From 3e19a6e748d64092f1dfa612edb6caa40f704ff2 Mon Sep 17 00:00:00 2001
From: Ankit Kariryaa <kariryaa@fhi-berlin.mpg.de>
Date: Tue, 29 Nov 2016 09:22:30 +0100
Subject: [PATCH] Update the QMML dtaset and beaker notebook

---
 beaker-notebooks/brprototype3.bkr  |    297 +-
 example-data/QMML/dsC7O2H10nsd.xyz | 127995 +++++++++++++++++++++++++
 example-data/QMML/dsgdb7ae.xyz     |      0
 example-data/QMML/dsgdb7njp.xyz    | 132812 ++++++++++++++++++++++++++
 4 files changed, 261021 insertions(+), 83 deletions(-)
 mode change 100644 => 100755 beaker-notebooks/brprototype3.bkr
 create mode 100755 example-data/QMML/dsC7O2H10nsd.xyz
 mode change 100644 => 100755 example-data/QMML/dsgdb7ae.xyz
 create mode 100755 example-data/QMML/dsgdb7njp.xyz

diff --git a/beaker-notebooks/brprototype3.bkr b/beaker-notebooks/brprototype3.bkr
old mode 100644
new mode 100755
index 72291a8..6ef3dd6
--- a/beaker-notebooks/brprototype3.bkr
+++ b/beaker-notebooks/brprototype3.bkr
@@ -47,6 +47,9 @@
                     "import sys, os, time, random",
                     "import numpy as np",
                     "",
+                    "# IPython",
+                    "import IPython.display",
+                    "",
                     "# Plotly",
                     "import plotly as ply",
                     "import plotly.graph_objs as plygo",
@@ -69,8 +72,7 @@
                     "    if is_sequence(msg):",
                     "        for line in msg: info(line, indent)",
                     "    else:",
-                    "        pass",
-                    "        #print('  '*indent+msg)",
+                    "        print('  '*indent+msg)",
                     "",
                     "def is_sequence(arg):",
                     "    \"\"\"True if arg is a list, tuple, array or similar object, but not a string.\"\"\"",
@@ -106,15 +108,14 @@
             },
             "output": {
                 "state": {},
-                "selectedType": "Html",
+                "selectedType": "BeakerDisplay",
                 "pluginName": "Python3",
-                "shellId": "10F89B7754F947E2B45C45706B51D5C2",
-                "height": 33,
-                "result": "<div class=\"output_subarea output_html rendered_html\"><script type=\"text/javascript\">if(!window.Plotly){define('plotly', function(require, exports, module) {/**\n* plotly.js v1.16.2\n* Copyright 2012-2016, Plotly, Inc.\n* All rights reserved.\n* Licensed under the MIT license\n*/\n!function(t){if(\"object\"==typeof exports&&\"undefined\"!=typeof module)module.exports=t();else if(\"function\"==typeof define&&define.amd)define([],t);else{var e;e=\"undefined\"!=typeof window?window:\"undefined\"!=typeof global?global:\"undefined\"!=typeof self?self:this,e.Plotly=t()}}(function(){var t;return function e(t,r,n){function i(a,s){if(!r[a]){if(!t[a]){var l=\"function\"==typeof require&&require;if(!s&&l)return l(a,!0);if(o)return o(a,!0);var u=new Error(\"Cannot find module '\"+a+\"'\");throw u.code=\"MODULE_NOT_FOUND\",u}var c=r[a]={exports:{}};t[a][0].call(c.exports,function(e){var r=t[a][1][e];return i(r?r:e)},c,c.exports,e,t,r,n)}return r[a].exports}for(var o=\"function\"==typeof require&&require,a=0;a<n.length;a++)i(n[a]);return i}({1:[function(t,e,r){\"use strict\";var n=t(\"../src/plotly\"),i={\"X,X div\":\"font-family:'Open Sans', verdana, arial, sans-serif;margin:0;padding:0;\",\"X input,X button\":\"font-family:'Open Sans', verdana, arial, sans-serif;\",\"X input:focus,X button:focus\":\"outline:none;\",\"X a\":\"text-decoration:none;\",\"X a:hover\":\"text-decoration:none;\",\"X .crisp\":\"shape-rendering:crispEdges;\",\"X .user-select-none\":\"-webkit-user-select:none;-moz-user-select:none;-ms-user-select:none;-o-user-select:none;user-select:none;\",\"X svg\":\"overflow:hidden;\",\"X svg a\":\"fill:#447adb;\",\"X svg a:hover\":\"fill:#3c6dc5;\",\"X .main-svg\":\"position:absolute;top:0;left:0;pointer-events:none;\",\"X .main-svg .draglayer\":\"pointer-events:all;\",\"X .cursor-pointer\":\"cursor:pointer;\",\"X .cursor-crosshair\":\"cursor:crosshair;\",\"X .cursor-move\":\"cursor:move;\",\"X .cursor-col-resize\":\"cursor:col-resize;\",\"X .cursor-row-resize\":\"cursor:row-resize;\",\"X .cursor-ns-resize\":\"cursor:ns-resize;\",\"X .cursor-ew-resize\":\"cursor:ew-resize;\",\"X .cursor-sw-resize\":\"cursor:sw-resize;\",\"X .cursor-s-resize\":\"cursor:s-resize;\",\"X .cursor-se-resize\":\"cursor:se-resize;\",\"X .cursor-w-resize\":\"cursor:w-resize;\",\"X .cursor-e-resize\":\"cursor:e-resize;\",\"X .cursor-nw-resize\":\"cursor:nw-resize;\",\"X .cursor-n-resize\":\"cursor:n-resize;\",\"X .cursor-ne-resize\":\"cursor:ne-resize;\",\"X .modebar\":\"position:absolute;top:2px;right:2px;z-index:1001;background:rgba(255,255,255,0.7);\",\"X .modebar--hover\":\"opacity:0;-webkit-transition:opacity 0.3s ease 0s;-moz-transition:opacity 0.3s ease 0s;-ms-transition:opacity 0.3s ease 0s;-o-transition:opacity 0.3s ease 0s;transition:opacity 0.3s ease 0s;\",\"X:hover .modebar--hover\":\"opacity:1;\",\"X .modebar-group\":\"float:left;display:inline-block;box-sizing:border-box;margin-left:8px;position:relative;vertical-align:middle;white-space:nowrap;\",\"X .modebar-group:first-child\":\"margin-left:0px;\",\"X .modebar-btn\":\"position:relative;font-size:16px;padding:3px 4px;cursor:pointer;line-height:normal;box-sizing:border-box;\",\"X .modebar-btn svg\":\"position:relative;top:2px;\",\"X .modebar-btn path\":\"fill:rgba(0,31,95,0.3);\",\"X .modebar-btn.active path,X .modebar-btn:hover path\":\"fill:rgba(0,22,72,0.5);\",\"X .modebar-btn.modebar-btn--logo\":\"padding:3px 1px;\",\"X .modebar-btn.modebar-btn--logo path\":\"fill:#447adb !important;\",\"X [data-title]:before,X [data-title]:after\":\"position:absolute;-webkit-transform:translate3d(0, 0, 0);-moz-transform:translate3d(0, 0, 0);-ms-transform:translate3d(0, 0, 0);-o-transform:translate3d(0, 0, 0);transform:translate3d(0, 0, 0);display:none;opacity:0;z-index:1001;pointer-events:none;top:110%;right:50%;\",\"X [data-title]:hover:before,X [data-title]:hover:after\":\"display:block;opacity:1;\",\"X [data-title]:before\":\"content:'';position:absolute;background:transparent;border:6px solid transparent;z-index:1002;margin-top:-12px;border-bottom-color:#69738a;margin-right:-6px;\",\"X [data-title]:after\":\"content:attr(data-title);background:#69738a;color:white;padding:8px 10px;font-size:12px;line-height:12px;white-space:nowrap;margin-right:-18px;border-radius:2px;\",\"X .select-outline\":\"fill:none;stroke-width:1;shape-rendering:crispEdges;\",\"X .select-outline-1\":\"stroke:white;\",\"X .select-outline-2\":\"stroke:black;stroke-dasharray:2px 2px;\",Y:\"font-family:'Open Sans';position:fixed;top:50px;right:20px;z-index:10000;font-size:10pt;max-width:180px;\",\"Y p\":\"margin:0;\",\"Y .notifier-note\":\"min-width:180px;max-width:250px;border:1px solid #fff;z-index:3000;margin:0;background-color:#8c97af;background-color:rgba(140,151,175,0.9);color:#fff;padding:10px;\",\"Y .notifier-close\":\"color:#fff;opacity:0.8;float:right;padding:0 5px;background:none;border:none;font-size:20px;font-weight:bold;line-height:20px;\",\"Y .notifier-close:hover\":\"color:#444;text-decoration:none;cursor:pointer;\"};for(var o in i){var a=o.replace(/^,/,\" ,\").replace(/X/g,\".js-plotly-plot .plotly\").replace(/Y/g,\".plotly-notifier\");n.Lib.addStyleRule(a,i[o])}},{\"../src/plotly\":589}],2:[function(t,e,r){\"use strict\";e.exports={undo:{width:857.1,path:\"m857 350q0-87-34-166t-91-137-137-92-166-34q-96 0-183 41t-147 114q-4 6-4 13t5 11l76 77q6 5 14 5 9-1 13-7 41-53 100-82t126-29q58 0 110 23t92 61 61 91 22 111-22 111-61 91-92 61-110 23q-55 0-105-20t-90-57l77-77q17-16 8-38-10-23-33-23h-250q-15 0-25 11t-11 25v250q0 24 22 33 22 10 39-8l72-72q60 57 137 88t159 31q87 0 166-34t137-92 91-137 34-166z\",ascent:850,descent:-150},home:{width:928.6,path:\"m786 296v-267q0-15-11-26t-25-10h-214v214h-143v-214h-214q-15 0-25 10t-11 26v267q0 1 0 2t0 2l321 264 321-264q1-1 1-4z m124 39l-34-41q-5-5-12-6h-2q-7 0-12 3l-386 322-386-322q-7-4-13-4-7 2-12 7l-35 41q-4 5-3 13t6 12l401 334q18 15 42 15t43-15l136-114v109q0 8 5 13t13 5h107q8 0 13-5t5-13v-227l122-102q5-5 6-12t-4-13z\",ascent:850,descent:-150},\"camera-retro\":{width:1e3,path:\"m518 386q0 8-5 13t-13 5q-37 0-63-27t-26-63q0-8 5-13t13-5 12 5 5 13q0 23 16 38t38 16q8 0 13 5t5 13z m125-73q0-59-42-101t-101-42-101 42-42 101 42 101 101 42 101-42 42-101z m-572-320h858v71h-858v-71z m643 320q0 89-62 152t-152 62-151-62-63-152 63-151 151-63 152 63 62 151z m-571 358h214v72h-214v-72z m-72-107h858v143h-462l-36-71h-360v-72z m929 143v-714q0-30-21-51t-50-21h-858q-29 0-50 21t-21 51v714q0 30 21 51t50 21h858q29 0 50-21t21-51z\",ascent:850,descent:-150},zoombox:{width:1e3,path:\"m1000-25l-250 251c40 63 63 138 63 218 0 224-182 406-407 406-224 0-406-182-406-406s183-406 407-406c80 0 155 22 218 62l250-250 125 125z m-812 250l0 438 437 0 0-438-437 0z m62 375l313 0 0-312-313 0 0 312z\",ascent:850,descent:-150},pan:{width:1e3,path:\"m1000 350l-187 188 0-125-250 0 0 250 125 0-188 187-187-187 125 0 0-250-250 0 0 125-188-188 186-187 0 125 252 0 0-250-125 0 187-188 188 188-125 0 0 250 250 0 0-126 187 188z\",ascent:850,descent:-150},zoom_plus:{width:1e3,path:\"m1 787l0-875 875 0 0 875-875 0z m687-500l-187 0 0-187-125 0 0 187-188 0 0 125 188 0 0 187 125 0 0-187 187 0 0-125z\",ascent:850,descent:-150},zoom_minus:{width:1e3,path:\"m0 788l0-876 875 0 0 876-875 0z m688-500l-500 0 0 125 500 0 0-125z\",ascent:850,descent:-150},autoscale:{width:1e3,path:\"m250 850l-187 0-63 0 0-62 0-188 63 0 0 188 187 0 0 62z m688 0l-188 0 0-62 188 0 0-188 62 0 0 188 0 62-62 0z m-875-938l0 188-63 0 0-188 0-62 63 0 187 0 0 62-187 0z m875 188l0-188-188 0 0-62 188 0 62 0 0 62 0 188-62 0z m-125 188l-1 0-93-94-156 156 156 156 92-93 2 0 0 250-250 0 0-2 93-92-156-156-156 156 94 92 0 2-250 0 0-250 0 0 93 93 157-156-157-156-93 94 0 0 0-250 250 0 0 0-94 93 156 157 156-157-93-93 0 0 250 0 0 250z\",ascent:850,descent:-150},tooltip_basic:{width:1500,path:\"m375 725l0 0-375-375 375-374 0-1 1125 0 0 750-1125 0z\",ascent:850,descent:-150},tooltip_compare:{width:1125,path:\"m187 786l0 2-187-188 188-187 0 0 937 0 0 373-938 0z m0-499l0 1-187-188 188-188 0 0 937 0 0 376-938-1z\",ascent:850,descent:-150},plotlylogo:{width:1542,path:\"m0-10h182v-140h-182v140z m228 146h183v-286h-183v286z m225 714h182v-1000h-182v1000z m225-285h182v-715h-182v715z m225 142h183v-857h-183v857z m231-428h182v-429h-182v429z m225-291h183v-138h-183v138z\",ascent:850,descent:-150},\"z-axis\":{width:1e3,path:\"m833 5l-17 108v41l-130-65 130-66c0 0 0 38 0 39 0-1 36-14 39-25 4-15-6-22-16-30-15-12-39-16-56-20-90-22-187-23-279-23-261 0-341 34-353 59 3 60 228 110 228 110-140-8-351-35-351-116 0-120 293-142 474-142 155 0 477 22 477 142 0 50-74 79-163 96z m-374 94c-58-5-99-21-99-40 0-24 65-43 144-43 79 0 143 19 143 43 0 19-42 34-98 40v216h87l-132 135-133-135h88v-216z m167 515h-136v1c16 16 31 34 46 52l84 109v54h-230v-71h124v-1c-16-17-28-32-44-51l-89-114v-51h245v72z\",ascent:850,descent:-150},\"3d_rotate\":{width:1e3,path:\"m922 660c-5 4-9 7-14 11-359 263-580-31-580-31l-102 28 58-400c0 1 1 1 2 2 118 108 351 249 351 249s-62 27-100 42c88 83 222 183 347 122 16-8 30-17 44-27-2 1-4 2-6 4z m36-329c0 0 64 229-88 296-62 27-124 14-175-11 157-78 225-208 249-266 8-19 11-31 11-31 2 5 6 15 11 32-5-13-8-20-8-20z m-775-239c70-31 117-50 198-32-121 80-199 346-199 346l-96-15-58-12c0 0 55-226 155-287z m603 133l-317-139c0 0 4-4 19-14 7-5 24-15 24-15s-177-147-389 4c235-287 536-112 536-112l31-22 100 299-4-1z m-298-153c6-4 14-9 24-15 0 0-17 10-24 15z\",ascent:850,descent:-150},camera:{width:1e3,path:\"m500 450c-83 0-150-67-150-150 0-83 67-150 150-150 83 0 150 67 150 150 0 83-67 150-150 150z m400 150h-120c-16 0-34 13-39 29l-31 93c-6 15-23 28-40 28h-340c-16 0-34-13-39-28l-31-94c-6-15-23-28-40-28h-120c-55 0-100-45-100-100v-450c0-55 45-100 100-100h800c55 0 100 45 100 100v450c0 55-45 100-100 100z m-400-550c-138 0-250 112-250 250 0 138 112 250 250 250 138 0 250-112 250-250 0-138-112-250-250-250z m365 380c-19 0-35 16-35 35 0 19 16 35 35 35 19 0 35-16 35-35 0-19-16-35-35-35z\",ascent:850,descent:-150},movie:{width:1e3,path:\"m938 413l-188-125c0 37-17 71-44 94 64 38 107 107 107 187 0 121-98 219-219 219-121 0-219-98-219-219 0-61 25-117 66-156h-115c30 33 49 76 49 125 0 103-84 187-187 187s-188-84-188-187c0-57 26-107 65-141-38-22-65-62-65-109v-250c0-70 56-126 125-126h500c69 0 125 56 125 126l188-126c34 0 62 28 62 63v375c0 35-28 63-62 63z m-750 0c-69 0-125 56-125 125s56 125 125 125 125-56 125-125-56-125-125-125z m406-1c-87 0-157 70-157 157 0 86 70 156 157 156s156-70 156-156-70-157-156-157z\",ascent:850,descent:-150},question:{width:857.1,path:\"m500 82v107q0 8-5 13t-13 5h-107q-8 0-13-5t-5-13v-107q0-8 5-13t13-5h107q8 0 13 5t5 13z m143 375q0 49-31 91t-77 65-95 23q-136 0-207-119-9-14 4-24l74-55q4-4 10-4 9 0 14 7 30 38 48 51 19 14 48 14 27 0 48-15t21-33q0-21-11-34t-38-25q-35-16-65-48t-29-70v-20q0-8 5-13t13-5h107q8 0 13 5t5 13q0 10 12 27t30 28q18 10 28 16t25 19 25 27 16 34 7 45z m214-107q0-117-57-215t-156-156-215-58-216 58-155 156-58 215 58 215 155 156 216 58 215-58 156-156 57-215z\",ascent:850,descent:-150},disk:{width:857.1,path:\"m214-7h429v214h-429v-214z m500 0h72v500q0 8-6 21t-11 20l-157 156q-5 6-19 12t-22 5v-232q0-22-15-38t-38-16h-322q-22 0-37 16t-16 38v232h-72v-714h72v232q0 22 16 38t37 16h465q22 0 38-16t15-38v-232z m-214 518v178q0 8-5 13t-13 5h-107q-7 0-13-5t-5-13v-178q0-8 5-13t13-5h107q7 0 13 5t5 13z m357-18v-518q0-22-15-38t-38-16h-750q-23 0-38 16t-16 38v750q0 22 16 38t38 16h517q23 0 50-12t42-26l156-157q16-15 27-42t11-49z\",ascent:850,descent:-150},lasso:{width:1031,path:\"m1018 538c-36 207-290 336-568 286-277-48-473-256-436-463 10-57 36-108 76-151-13-66 11-137 68-183 34-28 75-41 114-42l-55-70 0 0c-2-1-3-2-4-3-10-14-8-34 5-45 14-11 34-8 45 4 1 1 2 3 2 5l0 0 113 140c16 11 31 24 45 40 4 3 6 7 8 11 48-3 100 0 151 9 278 48 473 255 436 462z m-624-379c-80 14-149 48-197 96 42 42 109 47 156 9 33-26 47-66 41-105z m-187-74c-19 16-33 37-39 60 50-32 109-55 174-68-42-25-95-24-135 8z m360 75c-34-7-69-9-102-8 8 62-16 128-68 170-73 59-175 54-244-5-9 20-16 40-20 61-28 159 121 317 333 354s407-60 434-217c28-159-121-318-333-355z\",ascent:850,descent:-150},selectbox:{width:1e3,path:\"m0 850l0-143 143 0 0 143-143 0z m286 0l0-143 143 0 0 143-143 0z m285 0l0-143 143 0 0 143-143 0z m286 0l0-143 143 0 0 143-143 0z m-857-286l0-143 143 0 0 143-143 0z m857 0l0-143 143 0 0 143-143 0z m-857-285l0-143 143 0 0 143-143 0z m857 0l0-143 143 0 0 143-143 0z m-857-286l0-143 143 0 0 143-143 0z m286 0l0-143 143 0 0 143-143 0z m285 0l0-143 143 0 0 143-143 0z m286 0l0-143 143 0 0 143-143 0z\",ascent:850,descent:-150}}},{}],3:[function(t,e,r){e.exports=t(\"../src/traces/bar\")},{\"../src/traces/bar\":674}],4:[function(t,e,r){e.exports=t(\"../src/traces/box\")},{\"../src/traces/box\":685}],5:[function(t,e,r){e.exports=t(\"../src/traces/choropleth\")},{\"../src/traces/choropleth\":694}],6:[function(t,e,r){e.exports=t(\"../src/traces/contour\")},{\"../src/traces/contour\":701}],7:[function(t,e,r){e.exports=t(\"../src/core\")},{\"../src/core\":557}],8:[function(t,e,r){e.exports=t(\"../src/traces/heatmap\")},{\"../src/traces/heatmap\":713}],9:[function(t,e,r){e.exports=t(\"../src/traces/histogram\")},{\"../src/traces/histogram\":724}],10:[function(t,e,r){e.exports=t(\"../src/traces/histogram2d\")},{\"../src/traces/histogram2d\":729}],11:[function(t,e,r){e.exports=t(\"../src/traces/histogram2dcontour\")},{\"../src/traces/histogram2dcontour\":733}],12:[function(t,e,r){\"use strict\";var n=t(\"./core\");n.register([t(\"./bar\"),t(\"./box\"),t(\"./heatmap\"),t(\"./histogram\"),t(\"./histogram2d\"),t(\"./histogram2dcontour\"),t(\"./pie\"),t(\"./contour\"),t(\"./scatter3d\"),t(\"./surface\"),t(\"./mesh3d\"),t(\"./scattergeo\"),t(\"./choropleth\"),t(\"./scattergl\"),t(\"./scatterternary\"),t(\"./scattermapbox\")]),e.exports=n},{\"./bar\":3,\"./box\":4,\"./choropleth\":5,\"./contour\":6,\"./core\":7,\"./heatmap\":8,\"./histogram\":9,\"./histogram2d\":10,\"./histogram2dcontour\":11,\"./mesh3d\":13,\"./pie\":14,\"./scatter3d\":15,\"./scattergeo\":16,\"./scattergl\":17,\"./scattermapbox\":18,\"./scatterternary\":19,\"./surface\":20}],13:[function(t,e,r){e.exports=t(\"../src/traces/mesh3d\")},{\"../src/traces/mesh3d\":737}],14:[function(t,e,r){e.exports=t(\"../src/traces/pie\")},{\"../src/traces/pie\":743}],15:[function(t,e,r){e.exports=t(\"../src/traces/scatter3d\")},{\"../src/traces/scatter3d\":777}],16:[function(t,e,r){e.exports=t(\"../src/traces/scattergeo\")},{\"../src/traces/scattergeo\":781}],17:[function(t,e,r){e.exports=t(\"../src/traces/scattergl\")},{\"../src/traces/scattergl\":786}],18:[function(t,e,r){e.exports=t(\"../src/traces/scattermapbox\")},{\"../src/traces/scattermapbox\":792}],19:[function(t,e,r){e.exports=t(\"../src/traces/scatterternary\")},{\"../src/traces/scatterternary\":798}],20:[function(t,e,r){e.exports=t(\"../src/traces/surface\")},{\"../src/traces/surface\":807}],21:[function(t,e,r){\"use strict\";function n(t,e,r){return Math.min(e,Math.max(t,r))}function i(t,e,r){this.dimension=t.length,this.bounds=[new Array(this.dimension),new Array(this.dimension)];for(var n=0;n<this.dimension;++n)this.bounds[0][n]=-(1/0),this.bounds[1][n]=1/0;this._state=t.slice().reverse(),this._velocity=e.slice().reverse(),this._time=[r],this._scratch=[t.slice(),t.slice(),t.slice(),t.slice(),t.slice()]}function o(t){for(var e=new Array(t),r=0;t>r;++r)e[r]=0;return e}function a(t,e,r){switch(arguments.length){case 0:return new i([0],[0],0);case 1:if(\"number\"==typeof t){var n=o(t);return new i(n,n,0)}return new i(t,o(t.length),0);case 2:if(\"number\"==typeof e){var n=o(t.length);return new i(t,n,+e)}r=0;case 3:if(t.length!==e.length)throw new Error(\"state and velocity lengths must match\");return new i(t,e,r)}}e.exports=a;var s=t(\"cubic-hermite\"),l=t(\"binary-search-bounds\"),u=i.prototype;u.flush=function(t){var e=l.gt(this._time,t)-1;0>=e||(this._time.splice(0,e),this._state.splice(0,e*this.dimension),this._velocity.splice(0,e*this.dimension))},u.curve=function(t){var e=this._time,r=e.length,i=l.le(e,t),o=this._scratch[0],a=this._state,u=this._velocity,c=this.dimension,h=this.bounds;if(0>i)for(var f=c-1,d=0;c>d;++d,--f)o[d]=a[f];else if(i>=r-1)for(var f=a.length-1,p=t-e[r-1],d=0;c>d;++d,--f)o[d]=a[f]+p*u[f];else{for(var f=c*(i+1)-1,v=e[i],m=e[i+1],g=m-v||1,y=this._scratch[1],b=this._scratch[2],x=this._scratch[3],_=this._scratch[4],w=!0,d=0;c>d;++d,--f)y[d]=a[f],x[d]=u[f]*g,b[d]=a[f+c],_[d]=u[f+c]*g,w=w&&y[d]===b[d]&&x[d]===_[d]&&0===x[d];if(w)for(var d=0;c>d;++d)o[d]=y[d];else s(y,x,b,_,(t-v)/g,o)}for(var M=h[0],k=h[1],d=0;c>d;++d)o[d]=n(M[d],k[d],o[d]);return o},u.dcurve=function(t){var e=this._time,r=e.length,n=l.le(e,t),i=this._scratch[0],o=this._state,a=this._velocity,u=this.dimension;if(n>=r-1)for(var c=o.length-1,h=(t-e[r-1],0);u>h;++h,--c)i[h]=a[c];else{for(var c=u*(n+1)-1,f=e[n],d=e[n+1],p=d-f||1,v=this._scratch[1],m=this._scratch[2],g=this._scratch[3],y=this._scratch[4],b=!0,h=0;u>h;++h,--c)v[h]=o[c],g[h]=a[c]*p,m[h]=o[c+u],y[h]=a[c+u]*p,b=b&&v[h]===m[h]&&g[h]===y[h]&&0===g[h];if(b)for(var h=0;u>h;++h)i[h]=0;else{s.derivative(v,g,m,y,(t-f)/p,i);for(var h=0;u>h;++h)i[h]/=p}}return i},u.lastT=function(){var t=this._time;return t[t.length-1]},u.stable=function(){for(var t=this._velocity,e=t.length,r=this.dimension-1;r>=0;--r)if(t[--e])return!1;return!0},u.jump=function(t){var e=this.lastT(),r=this.dimension;if(!(e>t||arguments.length!==r+1)){var i=this._state,o=this._velocity,a=i.length-this.dimension,s=this.bounds,l=s[0],u=s[1];this._time.push(e,t);for(var c=0;2>c;++c)for(var h=0;r>h;++h)i.push(i[a++]),o.push(0);this._time.push(t);for(var h=r;h>0;--h)i.push(n(l[h-1],u[h-1],arguments[h])),o.push(0)}},u.push=function(t){var e=this.lastT(),r=this.dimension;if(!(e>t||arguments.length!==r+1)){var i=this._state,o=this._velocity,a=i.length-this.dimension,s=t-e,l=this.bounds,u=l[0],c=l[1],h=s>1e-6?1/s:0;this._time.push(t);for(var f=r;f>0;--f){var d=n(u[f-1],c[f-1],arguments[f]);i.push(d),o.push((d-i[a++])*h)}}},u.set=function(t){var e=this.dimension;if(!(t<this.lastT()||arguments.length!==e+1)){var r=this._state,i=this._velocity,o=this.bounds,a=o[0],s=o[1];this._time.push(t);for(var l=e;l>0;--l)r.push(n(a[l-1],s[l-1],arguments[l])),i.push(0)}},u.move=function(t){var e=this.lastT(),r=this.dimension;if(!(e>=t||arguments.length!==r+1)){var i=this._state,o=this._velocity,a=i.length-this.dimension,s=this.bounds,l=s[0],u=s[1],c=t-e,h=c>1e-6?1/c:0;this._time.push(t);for(var f=r;f>0;--f){var d=arguments[f];i.push(n(l[f-1],u[f-1],i[a++]+d)),o.push(d*h)}}},u.idle=function(t){var e=this.lastT();if(!(e>t)){var r=this.dimension,i=this._state,o=this._velocity,a=i.length-r,s=this.bounds,l=s[0],u=s[1],c=t-e;this._time.push(t);for(var h=r-1;h>=0;--h)i.push(n(l[h],u[h],i[a]+c*o[a])),o.push(0),a+=1}}},{\"binary-search-bounds\":22,\"cubic-hermite\":23}],22:[function(t,e,r){\"use strict\";function n(t,e,r,n,i,o){var a=[\"function \",t,\"(a,l,h,\",n.join(\",\"),\"){\",o?\"\":\"var i=\",r?\"l-1\":\"h+1\",\";while(l<=h){var m=(l+h)>>>1,x=a\",i?\".get(m)\":\"[m]\"];return o?e.indexOf(\"c\")<0?a.push(\";if(x===y){return m}else if(x<=y){\"):a.push(\";var p=c(x,y);if(p===0){return m}else if(p<=0){\"):a.push(\";if(\",e,\"){i=m;\"),r?a.push(\"l=m+1}else{h=m-1}\"):a.push(\"h=m-1}else{l=m+1}\"),a.push(\"}\"),o?a.push(\"return -1};\"):a.push(\"return i};\"),a.join(\"\")}function i(t,e,r,i){var o=new Function([n(\"A\",\"x\"+t+\"y\",e,[\"y\"],!1,i),n(\"B\",\"x\"+t+\"y\",e,[\"y\"],!0,i),n(\"P\",\"c(x,y)\"+t+\"0\",e,[\"y\",\"c\"],!1,i),n(\"Q\",\"c(x,y)\"+t+\"0\",e,[\"y\",\"c\"],!0,i),\"function dispatchBsearch\",r,\"(a,y,c,l,h){if(a.shape){if(typeof(c)==='function'){return Q(a,(l===undefined)?0:l|0,(h===undefined)?a.shape[0]-1:h|0,y,c)}else{return B(a,(c===undefined)?0:c|0,(l===undefined)?a.shape[0]-1:l|0,y)}}else{if(typeof(c)==='function'){return P(a,(l===undefined)?0:l|0,(h===undefined)?a.length-1:h|0,y,c)}else{return A(a,(c===undefined)?0:c|0,(l===undefined)?a.length-1:l|0,y)}}}return dispatchBsearch\",r].join(\"\"));return o()}e.exports={ge:i(\">=\",!1,\"GE\"),gt:i(\">\",!1,\"GT\"),lt:i(\"<\",!0,\"LT\"),le:i(\"<=\",!0,\"LE\"),eq:i(\"-\",!0,\"EQ\",!0)}},{}],23:[function(t,e,r){\"use strict\";function n(t,e,r,n,i,o){var a=6*i*i-6*i,s=3*i*i-4*i+1,l=-6*i*i+6*i,u=3*i*i-2*i;if(t.length){o||(o=new Array(t.length));for(var c=t.length-1;c>=0;--c)o[c]=a*t[c]+s*e[c]+l*r[c]+u*n[c];return o}return a*t+s*e+l*r[c]+u*n}function i(t,e,r,n,i,o){var a=i-1,s=i*i,l=a*a,u=(1+2*i)*l,c=i*l,h=s*(3-2*i),f=s*a;if(t.length){o||(o=new Array(t.length));for(var d=t.length-1;d>=0;--d)o[d]=u*t[d]+c*e[d]+h*r[d]+f*n[d];return o}return u*t+c*e+h*r+f*n}e.exports=i,e.exports.derivative=n},{}],24:[function(t,e,r){function n(t,e,r){var n=e[0],i=e[1],o=e[2],a=r[0],s=r[1],l=r[2];return t[0]=i*l-o*s,t[1]=o*a-n*l,t[2]=n*s-i*a,t}e.exports=n},{}],25:[function(t,e,r){function n(t,e){return t[0]*e[0]+t[1]*e[1]+t[2]*e[2]}e.exports=n},{}],26:[function(t,e,r){function n(t){var e=t[0],r=t[1],n=t[2];return Math.sqrt(e*e+r*r+n*n)}e.exports=n},{}],27:[function(t,e,r){function n(t,e,r,n){var i=e[0],o=e[1],a=e[2];return t[0]=i+n*(r[0]-i),t[1]=o+n*(r[1]-o),t[2]=a+n*(r[2]-a),t}e.exports=n},{}],28:[function(t,e,r){function n(t,e){var r=e[0],n=e[1],i=e[2],o=r*r+n*n+i*i;return o>0&&(o=1/Math.sqrt(o),t[0]=e[0]*o,t[1]=e[1]*o,t[2]=e[2]*o),t}e.exports=n},{}],29:[function(t,e,r){\"use strict\";function n(t){this._components=t.slice(),this._time=[0],this.prevMatrix=t.slice(),this.nextMatrix=t.slice(),this.computedMatrix=t.slice(),this.computedInverse=t.slice(),this.computedEye=[0,0,0],this.computedUp=[0,0,0],this.computedCenter=[0,0,0],this.computedRadius=[0],this._limits=[-(1/0),1/0]}function i(t){t=t||{};var e=t.matrix||[1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1];return new n(e)}var o=t(\"binary-search-bounds\"),a=t(\"mat4-interpolate\"),s=t(\"gl-mat4/invert\"),l=t(\"gl-mat4/rotateX\"),u=t(\"gl-mat4/rotateY\"),c=t(\"gl-mat4/rotateZ\"),h=t(\"gl-mat4/lookAt\"),f=t(\"gl-mat4/translate\"),d=(t(\"gl-mat4/scale\"),t(\"gl-vec3/normalize\")),p=[0,0,0];e.exports=i;var v=n.prototype;v.recalcMatrix=function(t){var e=this._time,r=o.le(e,t),n=this.computedMatrix;if(!(0>r)){var i=this._components;if(r===e.length-1)for(var l=16*r,u=0;16>u;++u)n[u]=i[l++];else{for(var c=e[r+1]-e[r],l=16*r,h=this.prevMatrix,f=!0,u=0;16>u;++u)h[u]=i[l++];for(var p=this.nextMatrix,u=0;16>u;++u)p[u]=i[l++],f=f&&h[u]===p[u];if(1e-6>c||f)for(var u=0;16>u;++u)n[u]=h[u];else a(n,h,p,(t-e[r])/c)}var v=this.computedUp;v[0]=n[1],v[1]=n[5],v[2]=n[6],d(v,v);var m=this.computedInverse;s(m,n);var g=this.computedEye,y=m[15];g[0]=m[12]/y,g[1]=m[13]/y,g[2]=m[14]/y;for(var b=this.computedCenter,x=Math.exp(this.computedRadius[0]),u=0;3>u;++u)b[u]=g[u]-n[2+4*u]*x}},v.idle=function(t){if(!(t<this.lastT())){for(var e=this._components,r=e.length-16,n=0;16>n;++n)e.push(e[r++]);this._time.push(t)}},v.flush=function(t){var e=o.gt(this._time,t)-2;0>e||(this._time.slice(0,e),this._components.slice(0,16*e))},v.lastT=function(){return this._time[this._time.length-1]},v.lookAt=function(t,e,r,n){this.recalcMatrix(t),e=e||this.computedEye,r=r||p,n=n||this.computedUp,this.setMatrix(t,h(this.computedMatrix,e,r,n));for(var i=0,o=0;3>o;++o)i+=Math.pow(r[o]-e[o],2);i=Math.log(Math.sqrt(i)),this.computedRadius[0]=i},v.rotate=function(t,e,r,n){this.recalcMatrix(t);var i=this.computedInverse;e&&u(i,i,e),r&&l(i,i,r),n&&c(i,i,n),this.setMatrix(t,s(this.computedMatrix,i))};var m=[0,0,0];v.pan=function(t,e,r,n){m[0]=-(e||0),m[1]=-(r||0),m[2]=-(n||0),this.recalcMatrix(t);var i=this.computedInverse;f(i,i,m),this.setMatrix(t,s(i,i))},v.translate=function(t,e,r,n){m[0]=e||0,m[1]=r||0,m[2]=n||0,this.recalcMatrix(t);var i=this.computedMatrix;f(i,i,m),this.setMatrix(t,i)},v.setMatrix=function(t,e){if(!(t<this.lastT())){this._time.push(t);for(var r=0;16>r;++r)this._components.push(e[r])}},v.setDistance=function(t,e){this.computedRadius[0]=e},v.setDistanceLimits=function(t,e){var r=this._limits;r[0]=t,r[1]=e},v.getDistanceLimits=function(t){var e=this._limits;return t?(t[0]=e[0],t[1]=e[1],t):e}},{\"binary-search-bounds\":30,\"gl-mat4/invert\":143,\"gl-mat4/lookAt\":144,\"gl-mat4/rotateX\":148,\"gl-mat4/rotateY\":149,\"gl-mat4/rotateZ\":150,\"gl-mat4/scale\":151,\"gl-mat4/translate\":152,\"gl-vec3/normalize\":28,\"mat4-interpolate\":31}],30:[function(t,e,r){arguments[4][22][0].apply(r,arguments)},{dup:22}],31:[function(t,e,r){function n(t,e,r,n){if(0===c(e)||0===c(r))return!1;var i=u(e,f.translate,f.scale,f.skew,f.perspective,f.quaternion),o=u(r,d.translate,d.scale,d.skew,d.perspective,d.quaternion);return i&&o?(s(p.translate,f.translate,d.translate,n),s(p.skew,f.skew,d.skew,n),s(p.scale,f.scale,d.scale,n),s(p.perspective,f.perspective,d.perspective,n),h(p.quaternion,f.quaternion,d.quaternion,n),l(t,p.translate,p.scale,p.skew,p.perspective,p.quaternion),!0):!1}function i(){return{translate:o(),scale:o(1),skew:o(),perspective:a(),quaternion:a()}}function o(t){return[t||0,t||0,t||0]}function a(){return[0,0,0,1]}var s=t(\"gl-vec3/lerp\"),l=t(\"mat4-recompose\"),u=t(\"mat4-decompose\"),c=t(\"gl-mat4/determinant\"),h=t(\"quat-slerp\"),f=i(),d=i(),p=i();e.exports=n},{\"gl-mat4/determinant\":139,\"gl-vec3/lerp\":27,\"mat4-decompose\":32,\"mat4-recompose\":34,\"quat-slerp\":35}],32:[function(t,e,r){function n(t,e,r){var n=e[0],i=e[1],o=e[2],a=e[3];return t[0]=r[0]*n+r[4]*i+r[8]*o+r[12]*a,t[1]=r[1]*n+r[5]*i+r[9]*o+r[13]*a,t[2]=r[2]*n+r[6]*i+r[10]*o+r[14]*a,t[3]=r[3]*n+r[7]*i+r[11]*o+r[15]*a,t}function i(t,e){t[0][0]=e[0],t[0][1]=e[1],t[0][2]=e[2],t[1][0]=e[4],t[1][1]=e[5],t[1][2]=e[6],t[2][0]=e[8],t[2][1]=e[9],t[2][2]=e[10]}function o(t,e,r,n,i){t[0]=e[0]*n+r[0]*i,t[1]=e[1]*n+r[1]*i,t[2]=e[2]*n+r[2]*i}var a=t(\"./normalize\"),s=t(\"gl-mat4/create\"),l=t(\"gl-mat4/clone\"),u=t(\"gl-mat4/determinant\"),c=t(\"gl-mat4/invert\"),h=t(\"gl-mat4/transpose\"),f={length:t(\"gl-vec3/length\"),normalize:t(\"gl-vec3/normalize\"),dot:t(\"gl-vec3/dot\"),cross:t(\"gl-vec3/cross\")},d=s(),p=s(),v=[0,0,0,0],m=[[0,0,0],[0,0,0],[0,0,0]],g=[0,0,0];e.exports=function(t,e,r,s,y,b){if(e||(e=[0,0,0]),r||(r=[0,0,0]),s||(s=[0,0,0]),y||(y=[0,0,0,1]),b||(b=[0,0,0,1]),!a(d,t))return!1;if(l(p,d),p[3]=0,p[7]=0,p[11]=0,p[15]=1,Math.abs(u(p)<1e-8))return!1;var x=d[3],_=d[7],w=d[11],M=d[12],k=d[13],A=d[14],T=d[15];if(0!==x||0!==_||0!==w){v[0]=x,v[1]=_,v[2]=w,v[3]=T;var E=c(p,p);if(!E)return!1;h(p,p),n(y,v,p)}else y[0]=y[1]=y[2]=0,y[3]=1;if(e[0]=M,e[1]=k,e[2]=A,i(m,d),r[0]=f.length(m[0]),f.normalize(m[0],m[0]),s[0]=f.dot(m[0],m[1]),o(m[1],m[1],m[0],1,-s[0]),r[1]=f.length(m[1]),f.normalize(m[1],m[1]),s[0]/=r[1],s[1]=f.dot(m[0],m[2]),o(m[2],m[2],m[0],1,-s[1]),s[2]=f.dot(m[1],m[2]),o(m[2],m[2],m[1],1,-s[2]),r[2]=f.length(m[2]),f.normalize(m[2],m[2]),s[1]/=r[2],s[2]/=r[2],f.cross(g,m[1],m[2]),f.dot(m[0],g)<0)for(var S=0;3>S;S++)r[S]*=-1,m[S][0]*=-1,m[S][1]*=-1,m[S][2]*=-1;return b[0]=.5*Math.sqrt(Math.max(1+m[0][0]-m[1][1]-m[2][2],0)),b[1]=.5*Math.sqrt(Math.max(1-m[0][0]+m[1][1]-m[2][2],0)),b[2]=.5*Math.sqrt(Math.max(1-m[0][0]-m[1][1]+m[2][2],0)),b[3]=.5*Math.sqrt(Math.max(1+m[0][0]+m[1][1]+m[2][2],0)),m[2][1]>m[1][2]&&(b[0]=-b[0]),m[0][2]>m[2][0]&&(b[1]=-b[1]),m[1][0]>m[0][1]&&(b[2]=-b[2]),!0}},{\"./normalize\":33,\"gl-mat4/clone\":137,\"gl-mat4/create\":138,\"gl-mat4/determinant\":139,\"gl-mat4/invert\":143,\"gl-mat4/transpose\":153,\"gl-vec3/cross\":24,\"gl-vec3/dot\":25,\"gl-vec3/length\":26,\"gl-vec3/normalize\":28}],33:[function(t,e,r){e.exports=function(t,e){var r=e[15];if(0===r)return!1;for(var n=1/r,i=0;16>i;i++)t[i]=e[i]*n;return!0}},{}],34:[function(t,e,r){var n={identity:t(\"gl-mat4/identity\"),translate:t(\"gl-mat4/translate\"),multiply:t(\"gl-mat4/multiply\"),create:t(\"gl-mat4/create\"),scale:t(\"gl-mat4/scale\"),fromRotationTranslation:t(\"gl-mat4/fromRotationTranslation\")},i=(n.create(),n.create());e.exports=function(t,e,r,o,a,s){return n.identity(t),n.fromRotationTranslation(t,s,e),t[3]=a[0],t[7]=a[1],t[11]=a[2],t[15]=a[3],n.identity(i),0!==o[2]&&(i[9]=o[2],n.multiply(t,t,i)),0!==o[1]&&(i[9]=0,i[8]=o[1],n.multiply(t,t,i)),0!==o[0]&&(i[8]=0,i[4]=o[0],n.multiply(t,t,i)),n.scale(t,t,r),t}},{\"gl-mat4/create\":138,\"gl-mat4/fromRotationTranslation\":141,\"gl-mat4/identity\":142,\"gl-mat4/multiply\":145,\"gl-mat4/scale\":151,\"gl-mat4/translate\":152}],35:[function(t,e,r){e.exports=t(\"gl-quat/slerp\")},{\"gl-quat/slerp\":36}],36:[function(t,e,r){function n(t,e,r,n){var i,o,a,s,l,u=e[0],c=e[1],h=e[2],f=e[3],d=r[0],p=r[1],v=r[2],m=r[3];return o=u*d+c*p+h*v+f*m,0>o&&(o=-o,d=-d,p=-p,v=-v,m=-m),1-o>1e-6?(i=Math.acos(o),a=Math.sin(i),s=Math.sin((1-n)*i)/a,l=Math.sin(n*i)/a):(s=1-n,l=n),t[0]=s*u+l*d,t[1]=s*c+l*p,t[2]=s*h+l*v,t[3]=s*f+l*m,t}e.exports=n},{}],37:[function(t,e,r){\"use strict\";function n(t,e,r,n,i,o,a,s,l,u){var c=e+o+u;if(h>0){var h=Math.sqrt(c+1);t[0]=.5*(a-l)/h,t[1]=.5*(s-n)/h,t[2]=.5*(r-o)/h,t[3]=.5*h}else{var f=Math.max(e,o,u),h=Math.sqrt(2*f-c+1);e>=f?(t[0]=.5*h,t[1]=.5*(i+r)/h,t[2]=.5*(s+n)/h,t[3]=.5*(a-l)/h):o>=f?(t[0]=.5*(r+i)/h,t[1]=.5*h,t[2]=.5*(l+a)/h,t[3]=.5*(s-n)/h):(t[0]=.5*(n+s)/h,t[1]=.5*(a+l)/h,t[2]=.5*h,t[3]=.5*(r-i)/h)}return t}e.exports=n},{}],38:[function(t,e,r){\"use strict\";function n(t,e,r){return Math.sqrt(Math.pow(t,2)+Math.pow(e,2)+Math.pow(r,2))}function i(t,e,r,n){return Math.sqrt(Math.pow(t,2)+Math.pow(e,2)+Math.pow(r,2)+Math.pow(n,2))}function o(t,e){var r=e[0],n=e[1],o=e[2],a=e[3],s=i(r,n,o,a);s>1e-6?(t[0]=r/s,t[1]=n/s,t[2]=o/s,t[3]=a/s):(t[0]=t[1]=t[2]=0,t[3]=1)}function a(t,e,r){this.radius=l([r]),this.center=l(e),this.rotation=l(t),this.computedRadius=this.radius.curve(0),this.computedCenter=this.center.curve(0),this.computedRotation=this.rotation.curve(0),this.computedUp=[.1,0,0],this.computedEye=[.1,0,0],this.computedMatrix=[.1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0],this.recalcMatrix(0)}function s(t){t=t||{};var e=t.center||[0,0,0],r=t.rotation||[0,0,0,1],n=t.radius||1;e=[].slice.call(e,0,3),r=[].slice.call(r,0,4),o(r,r);var i=new a(r,e,Math.log(n));return i.setDistanceLimits(t.zoomMin,t.zoomMax),(\"eye\"in t||\"up\"in t)&&i.lookAt(0,t.eye,t.center,t.up),i}e.exports=s;var l=t(\"filtered-vector\"),u=t(\"gl-mat4/lookAt\"),c=t(\"gl-mat4/fromQuat\"),h=t(\"gl-mat4/invert\"),f=t(\"./lib/quatFromFrame\"),d=a.prototype;d.lastT=function(){return Math.max(this.radius.lastT(),this.center.lastT(),this.rotation.lastT())},d.recalcMatrix=function(t){this.radius.curve(t),this.center.curve(t),this.rotation.curve(t);var e=this.computedRotation;o(e,e);var r=this.computedMatrix;c(r,e);var n=this.computedCenter,i=this.computedEye,a=this.computedUp,s=Math.exp(this.computedRadius[0]);i[0]=n[0]+s*r[2],i[1]=n[1]+s*r[6],i[2]=n[2]+s*r[10],a[0]=r[1],a[1]=r[5],a[2]=r[9];for(var l=0;3>l;++l){for(var u=0,h=0;3>h;++h)u+=r[l+4*h]*i[h];r[12+l]=-u}},d.getMatrix=function(t,e){this.recalcMatrix(t);var r=this.computedMatrix;if(e){for(var n=0;16>n;++n)e[n]=r[n];return e}return r},d.idle=function(t){this.center.idle(t),this.radius.idle(t),this.rotation.idle(t)},d.flush=function(t){this.center.flush(t),this.radius.flush(t),this.rotation.flush(t)},d.pan=function(t,e,r,i){e=e||0,r=r||0,i=i||0,this.recalcMatrix(t);var o=this.computedMatrix,a=o[1],s=o[5],l=o[9],u=n(a,s,l);a/=u,s/=u,l/=u;var c=o[0],h=o[4],f=o[8],d=c*a+h*s+f*l;c-=a*d,h-=s*d,f-=l*d;var p=n(c,h,f);c/=p,h/=p,f/=p;var v=o[2],m=o[6],g=o[10],y=v*a+m*s+g*l,b=v*c+m*h+g*f;v-=y*a+b*c,m-=y*s+b*h,g-=y*l+b*f;var x=n(v,m,g);v/=x,m/=x,g/=x;var _=c*e+a*r,w=h*e+s*r,M=f*e+l*r;this.center.move(t,_,w,M);var k=Math.exp(this.computedRadius[0]);k=Math.max(1e-4,k+i),this.radius.set(t,Math.log(k))},d.rotate=function(t,e,r,o){this.recalcMatrix(t),e=e||0,r=r||0;var a=this.computedMatrix,s=a[0],l=a[4],u=a[8],c=a[1],h=a[5],f=a[9],d=a[2],p=a[6],v=a[10],m=e*s+r*c,g=e*l+r*h,y=e*u+r*f,b=-(p*y-v*g),x=-(v*m-d*y),_=-(d*g-p*m),w=Math.sqrt(Math.max(0,1-Math.pow(b,2)-Math.pow(x,2)-Math.pow(_,2))),M=i(b,x,_,w);M>1e-6?(b/=M,x/=M,_/=M,w/=M):(b=x=_=0,w=1);var k=this.computedRotation,A=k[0],T=k[1],E=k[2],S=k[3],L=A*w+S*b+T*_-E*x,z=T*w+S*x+E*b-A*_,I=E*w+S*_+A*x-T*b,P=S*w-A*b-T*x-E*_;if(o){b=d,x=p,_=v;var C=Math.sin(o)/n(b,x,_);b*=C,x*=C,_*=C,w=Math.cos(e),L=L*w+P*b+z*_-I*x,z=z*w+P*x+I*b-L*_,I=I*w+P*_+L*x-z*b,P=P*w-L*b-z*x-I*_}var R=i(L,z,I,P);R>1e-6?(L/=R,z/=R,I/=R,P/=R):(L=z=I=0,P=1),this.rotation.set(t,L,z,I,P)},d.lookAt=function(t,e,r,n){this.recalcMatrix(t),r=r||this.computedCenter,e=e||this.computedEye,n=n||this.computedUp;var i=this.computedMatrix;u(i,e,r,n);var a=this.computedRotation;f(a,i[0],i[1],i[2],i[4],i[5],i[6],i[8],i[9],i[10]),o(a,a),this.rotation.set(t,a[0],a[1],a[2],a[3]);for(var s=0,l=0;3>l;++l)s+=Math.pow(r[l]-e[l],2);this.radius.set(t,.5*Math.log(Math.max(s,1e-6))),this.center.set(t,r[0],r[1],r[2])},d.translate=function(t,e,r,n){this.center.move(t,e||0,r||0,n||0)},d.setMatrix=function(t,e){var r=this.computedRotation;f(r,e[0],e[1],e[2],e[4],e[5],e[6],e[8],e[9],e[10]),o(r,r),this.rotation.set(t,r[0],r[1],r[2],r[3]);var n=this.computedMatrix;h(n,e);var i=n[15];if(Math.abs(i)>1e-6){var a=n[12]/i,s=n[13]/i,l=n[14]/i;this.recalcMatrix(t);var u=Math.exp(this.computedRadius[0]);this.center.set(t,a-n[2]*u,s-n[6]*u,l-n[10]*u),this.radius.idle(t)}else this.center.idle(t),this.radius.idle(t)},d.setDistance=function(t,e){e>0&&this.radius.set(t,Math.log(e))},d.setDistanceLimits=function(t,e){t=t>0?Math.log(t):-(1/0),\ne=e>0?Math.log(e):1/0,e=Math.max(e,t),this.radius.bounds[0][0]=t,this.radius.bounds[1][0]=e},d.getDistanceLimits=function(t){var e=this.radius.bounds;return t?(t[0]=Math.exp(e[0][0]),t[1]=Math.exp(e[1][0]),t):[Math.exp(e[0][0]),Math.exp(e[1][0])]},d.toJSON=function(){return this.recalcMatrix(this.lastT()),{center:this.computedCenter.slice(),rotation:this.computedRotation.slice(),distance:Math.log(this.computedRadius[0]),zoomMin:this.radius.bounds[0][0],zoomMax:this.radius.bounds[1][0]}},d.fromJSON=function(t){var e=this.lastT(),r=t.center;r&&this.center.set(e,r[0],r[1],r[2]);var n=t.rotation;n&&this.rotation.set(e,n[0],n[1],n[2],n[3]);var i=t.distance;i&&i>0&&this.radius.set(e,Math.log(i)),this.setDistanceLimits(t.zoomMin,t.zoomMax)}},{\"./lib/quatFromFrame\":37,\"filtered-vector\":21,\"gl-mat4/fromQuat\":140,\"gl-mat4/invert\":143,\"gl-mat4/lookAt\":144}],39:[function(t,e,r){\"use strict\";function n(t,e,r){return Math.sqrt(Math.pow(t,2)+Math.pow(e,2)+Math.pow(r,2))}function i(t){return Math.min(1,Math.max(-1,t))}function o(t){var e=Math.abs(t[0]),r=Math.abs(t[1]),n=Math.abs(t[2]),i=[0,0,0];e>Math.max(r,n)?i[2]=1:r>Math.max(e,n)?i[0]=1:i[1]=1;for(var o=0,a=0,s=0;3>s;++s)o+=t[s]*t[s],a+=i[s]*t[s];for(var s=0;3>s;++s)i[s]-=a/o*t[s];return f(i,i),i}function a(t,e,r,n,i,o,a,s){this.center=l(r),this.up=l(n),this.right=l(i),this.radius=l([o]),this.angle=l([a,s]),this.angle.bounds=[[-(1/0),-Math.PI/2],[1/0,Math.PI/2]],this.setDistanceLimits(t,e),this.computedCenter=this.center.curve(0),this.computedUp=this.up.curve(0),this.computedRight=this.right.curve(0),this.computedRadius=this.radius.curve(0),this.computedAngle=this.angle.curve(0),this.computedToward=[0,0,0],this.computedEye=[0,0,0],this.computedMatrix=new Array(16);for(var u=0;16>u;++u)this.computedMatrix[u]=.5;this.recalcMatrix(0)}function s(t){t=t||{};var e=t.center||[0,0,0],r=t.up||[0,1,0],i=t.right||o(r),s=t.radius||1,l=t.theta||0,u=t.phi||0;if(e=[].slice.call(e,0,3),r=[].slice.call(r,0,3),f(r,r),i=[].slice.call(i,0,3),f(i,i),\"eye\"in t){var c=t.eye,p=[c[0]-e[0],c[1]-e[1],c[2]-e[2]];h(i,p,r),n(i[0],i[1],i[2])<1e-6?i=o(r):f(i,i),s=n(p[0],p[1],p[2]);var v=d(r,p)/s,m=d(i,p)/s;u=Math.acos(v),l=Math.acos(m)}return s=Math.log(s),new a(t.zoomMin,t.zoomMax,e,r,i,s,l,u)}e.exports=s;var l=t(\"filtered-vector\"),u=t(\"gl-mat4/invert\"),c=t(\"gl-mat4/rotate\"),h=t(\"gl-vec3/cross\"),f=t(\"gl-vec3/normalize\"),d=t(\"gl-vec3/dot\"),p=a.prototype;p.setDistanceLimits=function(t,e){t=t>0?Math.log(t):-(1/0),e=e>0?Math.log(e):1/0,e=Math.max(e,t),this.radius.bounds[0][0]=t,this.radius.bounds[1][0]=e},p.getDistanceLimits=function(t){var e=this.radius.bounds[0];return t?(t[0]=Math.exp(e[0][0]),t[1]=Math.exp(e[1][0]),t):[Math.exp(e[0][0]),Math.exp(e[1][0])]},p.recalcMatrix=function(t){this.center.curve(t),this.up.curve(t),this.right.curve(t),this.radius.curve(t),this.angle.curve(t);for(var e=this.computedUp,r=this.computedRight,i=0,o=0,a=0;3>a;++a)o+=e[a]*r[a],i+=e[a]*e[a];for(var s=Math.sqrt(i),l=0,a=0;3>a;++a)r[a]-=e[a]*o/i,l+=r[a]*r[a],e[a]/=s;for(var u=Math.sqrt(l),a=0;3>a;++a)r[a]/=u;var c=this.computedToward;h(c,e,r),f(c,c);for(var d=Math.exp(this.computedRadius[0]),p=this.computedAngle[0],v=this.computedAngle[1],m=Math.cos(p),g=Math.sin(p),y=Math.cos(v),b=Math.sin(v),x=this.computedCenter,_=m*y,w=g*y,M=b,k=-m*b,A=-g*b,T=y,E=this.computedEye,S=this.computedMatrix,a=0;3>a;++a){var L=_*r[a]+w*c[a]+M*e[a];S[4*a+1]=k*r[a]+A*c[a]+T*e[a],S[4*a+2]=L,S[4*a+3]=0}var z=S[1],I=S[5],P=S[9],C=S[2],R=S[6],D=S[10],O=I*D-P*R,F=P*C-z*D,j=z*R-I*C,N=n(O,F,j);O/=N,F/=N,j/=N,S[0]=O,S[4]=F,S[8]=j;for(var a=0;3>a;++a)E[a]=x[a]+S[2+4*a]*d;for(var a=0;3>a;++a){for(var l=0,B=0;3>B;++B)l+=S[a+4*B]*E[B];S[12+a]=-l}S[15]=1},p.getMatrix=function(t,e){this.recalcMatrix(t);var r=this.computedMatrix;if(e){for(var n=0;16>n;++n)e[n]=r[n];return e}return r};var v=[0,0,0];p.rotate=function(t,e,r,n){if(this.angle.move(t,e,r),n){this.recalcMatrix(t);var i=this.computedMatrix;v[0]=i[2],v[1]=i[6],v[2]=i[10];for(var o=this.computedUp,a=this.computedRight,s=this.computedToward,l=0;3>l;++l)i[4*l]=o[l],i[4*l+1]=a[l],i[4*l+2]=s[l];c(i,i,n,v);for(var l=0;3>l;++l)o[l]=i[4*l],a[l]=i[4*l+1];this.up.set(t,o[0],o[1],o[2]),this.right.set(t,a[0],a[1],a[2])}},p.pan=function(t,e,r,i){e=e||0,r=r||0,i=i||0,this.recalcMatrix(t);var o=this.computedMatrix,a=(Math.exp(this.computedRadius[0]),o[1]),s=o[5],l=o[9],u=n(a,s,l);a/=u,s/=u,l/=u;var c=o[0],h=o[4],f=o[8],d=c*a+h*s+f*l;c-=a*d,h-=s*d,f-=l*d;var p=n(c,h,f);c/=p,h/=p,f/=p;var v=c*e+a*r,m=h*e+s*r,g=f*e+l*r;this.center.move(t,v,m,g);var y=Math.exp(this.computedRadius[0]);y=Math.max(1e-4,y+i),this.radius.set(t,Math.log(y))},p.translate=function(t,e,r,n){this.center.move(t,e||0,r||0,n||0)},p.setMatrix=function(t,e,r,o){var a=1;\"number\"==typeof r&&(a=0|r),(0>a||a>3)&&(a=1);var s=(a+2)%3;e||(this.recalcMatrix(t),e=this.computedMatrix);var l=e[a],c=e[a+4],h=e[a+8];if(o){var f=Math.abs(l),d=Math.abs(c),p=Math.abs(h),v=Math.max(f,d,p);f===v?(l=0>l?-1:1,c=h=0):p===v?(h=0>h?-1:1,l=c=0):(c=0>c?-1:1,l=h=0)}else{var m=n(l,c,h);l/=m,c/=m,h/=m}var g=e[s],y=e[s+4],b=e[s+8],x=g*l+y*c+b*h;g-=l*x,y-=c*x,b-=h*x;var _=n(g,y,b);g/=_,y/=_,b/=_;var w=c*b-h*y,M=h*g-l*b,k=l*y-c*g,A=n(w,M,k);w/=A,M/=A,k/=A,this.center.jump(t,G,H,X),this.radius.idle(t),this.up.jump(t,l,c,h),this.right.jump(t,g,y,b);var T,E;if(2===a){var S=e[1],L=e[5],z=e[9],I=S*g+L*y+z*b,P=S*w+L*M+z*k;T=0>O?-Math.PI/2:Math.PI/2,E=Math.atan2(P,I)}else{var C=e[2],R=e[6],D=e[10],O=C*l+R*c+D*h,F=C*g+R*y+D*b,j=C*w+R*M+D*k;T=Math.asin(i(O)),E=Math.atan2(j,F)}this.angle.jump(t,E,T),this.recalcMatrix(t);var N=e[2],B=e[6],U=e[10],V=this.computedMatrix;u(V,e);var q=V[15],G=V[12]/q,H=V[13]/q,X=V[14]/q,Y=Math.exp(this.computedRadius[0]);this.center.jump(t,G-N*Y,H-B*Y,X-U*Y)},p.lastT=function(){return Math.max(this.center.lastT(),this.up.lastT(),this.right.lastT(),this.radius.lastT(),this.angle.lastT())},p.idle=function(t){this.center.idle(t),this.up.idle(t),this.right.idle(t),this.radius.idle(t),this.angle.idle(t)},p.flush=function(t){this.center.flush(t),this.up.flush(t),this.right.flush(t),this.radius.flush(t),this.angle.flush(t)},p.setDistance=function(t,e){e>0&&this.radius.set(t,Math.log(e))},p.lookAt=function(t,e,r,o){this.recalcMatrix(t),e=e||this.computedEye,r=r||this.computedCenter,o=o||this.computedUp;var a=o[0],s=o[1],l=o[2],u=n(a,s,l);if(!(1e-6>u)){a/=u,s/=u,l/=u;var c=e[0]-r[0],h=e[1]-r[1],f=e[2]-r[2],d=n(c,h,f);if(!(1e-6>d)){c/=d,h/=d,f/=d;var p=this.computedRight,v=p[0],m=p[1],g=p[2],y=a*v+s*m+l*g;v-=y*a,m-=y*s,g-=y*l;var b=n(v,m,g);if(!(.01>b&&(v=s*f-l*h,m=l*c-a*f,g=a*h-s*c,b=n(v,m,g),1e-6>b))){v/=b,m/=b,g/=b,this.up.set(t,a,s,l),this.right.set(t,v,m,g),this.center.set(t,r[0],r[1],r[2]),this.radius.set(t,Math.log(d));var x=s*g-l*m,_=l*v-a*g,w=a*m-s*v,M=n(x,_,w);x/=M,_/=M,w/=M;var k=a*c+s*h+l*f,A=v*c+m*h+g*f,T=x*c+_*h+w*f,E=Math.asin(i(k)),S=Math.atan2(T,A),L=this.angle._state,z=L[L.length-1],I=L[L.length-2];z%=2*Math.PI;var P=Math.abs(z+2*Math.PI-S),C=Math.abs(z-S),R=Math.abs(z-2*Math.PI-S);C>P&&(z+=2*Math.PI),C>R&&(z-=2*Math.PI),this.angle.jump(this.angle.lastT(),z,I),this.angle.set(t,S,E)}}}}},{\"filtered-vector\":21,\"gl-mat4/invert\":143,\"gl-mat4/rotate\":147,\"gl-vec3/cross\":24,\"gl-vec3/dot\":25,\"gl-vec3/normalize\":28}],40:[function(t,e,r){\"use strict\";function n(t,e){this._controllerNames=Object.keys(t),this._controllerList=this._controllerNames.map(function(e){return t[e]}),this._mode=e,this._active=t[e],this._active||(this._mode=\"turntable\",this._active=t.turntable),this.modes=this._controllerNames,this.computedMatrix=this._active.computedMatrix,this.computedEye=this._active.computedEye,this.computedUp=this._active.computedUp,this.computedCenter=this._active.computedCenter,this.computedRadius=this._active.computedRadius}function i(t){t=t||{};var e=t.eye||[0,0,1],r=t.center||[0,0,0],i=t.up||[0,1,0],l=t.distanceLimits||[0,1/0],u=t.mode||\"turntable\",c=o(),h=a(),f=s();return c.setDistanceLimits(l[0],l[1]),c.lookAt(0,e,r,i),h.setDistanceLimits(l[0],l[1]),h.lookAt(0,e,r,i),f.setDistanceLimits(l[0],l[1]),f.lookAt(0,e,r,i),new n({turntable:c,orbit:h,matrix:f},u)}e.exports=i;var o=t(\"turntable-camera-controller\"),a=t(\"orbit-camera-controller\"),s=t(\"matrix-camera-controller\"),l=n.prototype,u=[[\"flush\",1],[\"idle\",1],[\"lookAt\",4],[\"rotate\",4],[\"pan\",4],[\"translate\",4],[\"setMatrix\",2],[\"setDistanceLimits\",2],[\"setDistance\",2]];u.forEach(function(t){for(var e=t[0],r=[],n=0;n<t[1];++n)r.push(\"a\"+n);var i=\"var cc=this._controllerList;for(var i=0;i<cc.length;++i){cc[i].\"+t[0]+\"(\"+r.join()+\")}\";l[e]=Function.apply(null,r.concat(i))}),l.recalcMatrix=function(t){this._active.recalcMatrix(t)},l.getDistance=function(t){return this._active.getDistance(t)},l.getDistanceLimits=function(t){return this._active.getDistanceLimits(t)},l.lastT=function(){return this._active.lastT()},l.setMode=function(t){if(t!==this._mode){var e=this._controllerNames.indexOf(t);if(!(0>e)){var r=this._active,n=this._controllerList[e],i=Math.max(r.lastT(),n.lastT());r.recalcMatrix(i),n.setMatrix(i,r.computedMatrix),this._active=n,this._mode=t,this.computedMatrix=this._active.computedMatrix,this.computedEye=this._active.computedEye,this.computedUp=this._active.computedUp,this.computedCenter=this._active.computedCenter,this.computedRadius=this._active.computedRadius}}},l.getMode=function(){return this._mode}},{\"matrix-camera-controller\":29,\"orbit-camera-controller\":38,\"turntable-camera-controller\":39}],41:[function(t,e,r){function n(t,e){return o(i(t,e))}e.exports=n;var i=t(\"alpha-complex\"),o=t(\"simplicial-complex-boundary\")},{\"alpha-complex\":42,\"simplicial-complex-boundary\":45}],42:[function(t,e,r){\"use strict\";function n(t,e){return i(e).filter(function(r){for(var n=new Array(r.length),i=0;i<r.length;++i)n[i]=e[r[i]];return o(n)*t<1})}e.exports=n;var i=t(\"delaunay-triangulate\"),o=t(\"circumradius\")},{circumradius:43,\"delaunay-triangulate\":120}],43:[function(t,e,r){function n(t){for(var e=i(t),r=0,n=0;n<t.length;++n)for(var o=t[n],a=0;a<e.length;++a)r+=Math.pow(o[a]-e[a],2);return Math.sqrt(r/t.length)}e.exports=n;var i=t(\"circumcenter\")},{circumcenter:44}],44:[function(t,e,r){\"use strict\";function n(t,e){for(var r=0,n=t.length,i=0;n>i;++i)r+=t[i]*e[i];return r}function i(t){var e=t.length;if(0===e)return[];var r=(t[0].length,a([t.length+1,t.length+1],1)),i=a([t.length+1],1);r[e][e]=0;for(var o=0;e>o;++o){for(var l=0;o>=l;++l)r[l][o]=r[o][l]=2*n(t[o],t[l]);i[o]=n(t[o],t[o])}for(var u=s(r,i),c=0,h=u[e+1],o=0;o<h.length;++o)c+=h[o];for(var f=new Array(e),o=0;e>o;++o){for(var h=u[o],d=0,l=0;l<h.length;++l)d+=h[l];f[o]=d/c}return f}function o(t){if(0===t.length)return[];for(var e=t[0].length,r=a([e]),n=i(t),o=0;o<t.length;++o)for(var s=0;e>s;++s)r[s]+=t[o][s]*n[o];return r}var a=t(\"dup\"),s=t(\"robust-linear-solve\");o.barycenetric=i,e.exports=o},{dup:121,\"robust-linear-solve\":436}],45:[function(t,e,r){\"use strict\";function n(t){return o(i(t))}e.exports=n;var i=t(\"boundary-cells\"),o=t(\"reduce-simplicial-complex\")},{\"boundary-cells\":46,\"reduce-simplicial-complex\":49}],46:[function(t,e,r){\"use strict\";function n(t){for(var e=t.length,r=0,n=0;e>n;++n)r+=t[n].length;for(var i=new Array(r),o=0,n=0;e>n;++n)for(var a=t[n],s=a.length,l=0;s>l;++l)for(var u=i[o++]=new Array(s-1),c=1;s>c;++c)u[c-1]=a[(l+c)%s];return i}e.exports=n},{}],47:[function(t,e,r){\"use strict\";function n(t){for(var e=1,r=1;r<t.length;++r)for(var n=0;r>n;++n)if(t[r]<t[n])e=-e;else if(t[n]===t[r])return 0;return e}e.exports=n},{}],48:[function(t,e,r){\"use strict\";function n(t,e){return i(t,e)||o(t)-o(e)}var i=t(\"compare-cell\"),o=t(\"cell-orientation\");e.exports=n},{\"cell-orientation\":47,\"compare-cell\":107}],49:[function(t,e,r){\"use strict\";function n(t){t.sort(o);for(var e=t.length,r=0,n=0;e>n;++n){var s=t[n],l=a(s);if(0!==l){if(r>0){var u=t[r-1];if(0===i(s,u)&&a(u)!==l){r-=1;continue}}t[r++]=s}}return t.length=r,t}var i=t(\"compare-cell\"),o=t(\"compare-oriented-cell\"),a=t(\"cell-orientation\");e.exports=n},{\"cell-orientation\":47,\"compare-cell\":107,\"compare-oriented-cell\":48}],50:[function(t,e,r){\"use strict\";var n=function(){function t(t){return!Array.isArray(t)&&null!==t&&\"object\"==typeof t}function e(t,e,r){for(var n=(e-t)/Math.max(r-1,1),i=[],o=0;r>o;o++)i.push(t+o*n);return i}function r(){for(var t=[].slice.call(arguments),e=t.map(function(t){return t.length}),r=Math.min.apply(null,e),n=[],i=0;r>i;i++){n[i]=[];for(var o=0;o<t.length;++o)n[i][o]=t[o][i]}return n}function n(t,e,r){for(var n=Math.min.apply(null,[t.length,e.length,r.length]),i=[],o=0;n>o;o++)i.push([t[o],e[o],r[o]]);return i}function i(t){function e(t){for(var n=0;n<t.length;n++)Array.isArray(t[n])?e(t[n],r):r+=t[n]}var r=0;return e(t,r),r}function o(t){for(var e=[],r=0;r<t.length;++r){e[r]=[];for(var n=0;n<t[r].length;++n)e[r][n]=t[r][n]}return e}function a(t){for(var e=[],r=0;r<t.length;++r)e[r]=t[r];return e}function s(t,e){if(t.length!==e.length)return!1;for(var r=t.length;r--;)if(t[r]!==e[r])return!1;return!0}function l(t,e){var r,n;if(\"string\"!=typeof t)return t;if(r=[],\"#\"===t[0]?(t=t.substr(1),3===t.length&&(t+=t),n=parseInt(t,16),r[0]=n>>16&255,r[1]=n>>8&255,r[2]=255&n):h.test(t)&&(n=t.match(f),r[0]=parseInt(n[1]),r[1]=parseInt(n[2]),r[2]=parseInt(n[3])),!e)for(var i=0;3>i;++i)r[i]=r[i]/255;return r}function u(t,e){var r,n;if(\"string\"!=typeof t)return t;if(r=[],\"#\"===t[0]?(t=t.substr(1),3===t.length&&(t+=t),n=parseInt(t,16),r[0]=n>>16&255,r[1]=n>>8&255,r[2]=255&n):h.test(t)&&(n=t.match(f),r[0]=parseInt(n[1]),r[1]=parseInt(n[2]),r[2]=parseInt(n[3]),n[4]?r[3]=parseFloat(n[4]):r[3]=1),!e)for(var i=0;3>i;++i)r[i]=r[i]/255;return r}var c={},h=/^rgba?\\(\\s*\\d{1,3}\\s*,\\s*\\d{1,3}\\s*,\\s*\\d{1,3}\\s*(,.*)?\\)$/,f=/^rgba?\\(\\s*(\\d{1,3})\\s*,\\s*(\\d{1,3})\\s*,\\s*(\\d{1,3})\\s*,?\\s*(.*)?\\)$/;return c.isPlainObject=t,c.linspace=e,c.zip3=n,c.sum=i,c.zip=r,c.isEqual=s,c.copy2D=o,c.copy1D=a,c.str2RgbArray=l,c.str2RgbaArray=u,c};e.exports=n()},{}],51:[function(t,e,r){\"use strict\";\"use restrict\";function n(t){var e=32;return t&=-t,t&&e--,65535&t&&(e-=16),16711935&t&&(e-=8),252645135&t&&(e-=4),858993459&t&&(e-=2),1431655765&t&&(e-=1),e}var i=32;r.INT_BITS=i,r.INT_MAX=2147483647,r.INT_MIN=-1<<i-1,r.sign=function(t){return(t>0)-(0>t)},r.abs=function(t){var e=t>>i-1;return(t^e)-e},r.min=function(t,e){return e^(t^e)&-(e>t)},r.max=function(t,e){return t^(t^e)&-(e>t)},r.isPow2=function(t){return!(t&t-1||!t)},r.log2=function(t){var e,r;return e=(t>65535)<<4,t>>>=e,r=(t>255)<<3,t>>>=r,e|=r,r=(t>15)<<2,t>>>=r,e|=r,r=(t>3)<<1,t>>>=r,e|=r,e|t>>1},r.log10=function(t){return t>=1e9?9:t>=1e8?8:t>=1e7?7:t>=1e6?6:t>=1e5?5:t>=1e4?4:t>=1e3?3:t>=100?2:t>=10?1:0},r.popCount=function(t){return t-=t>>>1&1431655765,t=(858993459&t)+(t>>>2&858993459),16843009*(t+(t>>>4)&252645135)>>>24},r.countTrailingZeros=n,r.nextPow2=function(t){return t+=0===t,--t,t|=t>>>1,t|=t>>>2,t|=t>>>4,t|=t>>>8,t|=t>>>16,t+1},r.prevPow2=function(t){return t|=t>>>1,t|=t>>>2,t|=t>>>4,t|=t>>>8,t|=t>>>16,t-(t>>>1)},r.parity=function(t){return t^=t>>>16,t^=t>>>8,t^=t>>>4,t&=15,27030>>>t&1};var o=new Array(256);!function(t){for(var e=0;256>e;++e){var r=e,n=e,i=7;for(r>>>=1;r;r>>>=1)n<<=1,n|=1&r,--i;t[e]=n<<i&255}}(o),r.reverse=function(t){return o[255&t]<<24|o[t>>>8&255]<<16|o[t>>>16&255]<<8|o[t>>>24&255]},r.interleave2=function(t,e){return t&=65535,t=16711935&(t|t<<8),t=252645135&(t|t<<4),t=858993459&(t|t<<2),t=1431655765&(t|t<<1),e&=65535,e=16711935&(e|e<<8),e=252645135&(e|e<<4),e=858993459&(e|e<<2),e=1431655765&(e|e<<1),t|e<<1},r.deinterleave2=function(t,e){return t=t>>>e&1431655765,t=858993459&(t|t>>>1),t=252645135&(t|t>>>2),t=16711935&(t|t>>>4),t=65535&(t|t>>>16),t<<16>>16},r.interleave3=function(t,e,r){return t&=1023,t=4278190335&(t|t<<16),t=251719695&(t|t<<8),t=3272356035&(t|t<<4),t=1227133513&(t|t<<2),e&=1023,e=4278190335&(e|e<<16),e=251719695&(e|e<<8),e=3272356035&(e|e<<4),e=1227133513&(e|e<<2),t|=e<<1,r&=1023,r=4278190335&(r|r<<16),r=251719695&(r|r<<8),r=3272356035&(r|r<<4),r=1227133513&(r|r<<2),t|r<<2},r.deinterleave3=function(t,e){return t=t>>>e&1227133513,t=3272356035&(t|t>>>2),t=251719695&(t|t>>>4),t=4278190335&(t|t>>>8),t=1023&(t|t>>>16),t<<22>>22},r.nextCombination=function(t){var e=t|t-1;return e+1|(~e&-~e)-1>>>n(t)+1}},{}],52:[function(t,e,r){function n(t,e){return d.isUndefined(e)?\"\"+e:d.isNumber(e)&&!isFinite(e)?e.toString():d.isFunction(e)||d.isRegExp(e)?e.toString():e}function i(t,e){return d.isString(t)?t.length<e?t:t.slice(0,e):t}function o(t){return i(JSON.stringify(t.actual,n),128)+\" \"+t.operator+\" \"+i(JSON.stringify(t.expected,n),128)}function a(t,e,r,n,i){throw new m.AssertionError({message:r,actual:t,expected:e,operator:n,stackStartFunction:i})}function s(t,e){t||a(t,!0,e,\"==\",m.ok)}function l(t,e){if(t===e)return!0;if(d.isBuffer(t)&&d.isBuffer(e)){if(t.length!=e.length)return!1;for(var r=0;r<t.length;r++)if(t[r]!==e[r])return!1;return!0}return d.isDate(t)&&d.isDate(e)?t.getTime()===e.getTime():d.isRegExp(t)&&d.isRegExp(e)?t.source===e.source&&t.global===e.global&&t.multiline===e.multiline&&t.lastIndex===e.lastIndex&&t.ignoreCase===e.ignoreCase:d.isObject(t)||d.isObject(e)?c(t,e):t==e}function u(t){return\"[object Arguments]\"==Object.prototype.toString.call(t)}function c(t,e){if(d.isNullOrUndefined(t)||d.isNullOrUndefined(e))return!1;if(t.prototype!==e.prototype)return!1;if(d.isPrimitive(t)||d.isPrimitive(e))return t===e;var r=u(t),n=u(e);if(r&&!n||!r&&n)return!1;if(r)return t=p.call(t),e=p.call(e),l(t,e);var i,o,a=g(t),s=g(e);if(a.length!=s.length)return!1;for(a.sort(),s.sort(),o=a.length-1;o>=0;o--)if(a[o]!=s[o])return!1;for(o=a.length-1;o>=0;o--)if(i=a[o],!l(t[i],e[i]))return!1;return!0}function h(t,e){return t&&e?\"[object RegExp]\"==Object.prototype.toString.call(e)?e.test(t):t instanceof e?!0:e.call({},t)===!0:!1}function f(t,e,r,n){var i;d.isString(r)&&(n=r,r=null);try{e()}catch(o){i=o}if(n=(r&&r.name?\" (\"+r.name+\").\":\".\")+(n?\" \"+n:\".\"),t&&!i&&a(i,r,\"Missing expected exception\"+n),!t&&h(i,r)&&a(i,r,\"Got unwanted exception\"+n),t&&i&&r&&!h(i,r)||!t&&i)throw i}var d=t(\"util/\"),p=Array.prototype.slice,v=Object.prototype.hasOwnProperty,m=e.exports=s;m.AssertionError=function(t){this.name=\"AssertionError\",this.actual=t.actual,this.expected=t.expected,this.operator=t.operator,t.message?(this.message=t.message,this.generatedMessage=!1):(this.message=o(this),this.generatedMessage=!0);var e=t.stackStartFunction||a;if(Error.captureStackTrace)Error.captureStackTrace(this,e);else{var r=new Error;if(r.stack){var n=r.stack,i=e.name,s=n.indexOf(\"\\n\"+i);if(s>=0){var l=n.indexOf(\"\\n\",s+1);n=n.substring(l+1)}this.stack=n}}},d.inherits(m.AssertionError,Error),m.fail=a,m.ok=s,m.equal=function(t,e,r){t!=e&&a(t,e,r,\"==\",m.equal)},m.notEqual=function(t,e,r){t==e&&a(t,e,r,\"!=\",m.notEqual)},m.deepEqual=function(t,e,r){l(t,e)||a(t,e,r,\"deepEqual\",m.deepEqual)},m.notDeepEqual=function(t,e,r){l(t,e)&&a(t,e,r,\"notDeepEqual\",m.notDeepEqual)},m.strictEqual=function(t,e,r){t!==e&&a(t,e,r,\"===\",m.strictEqual)},m.notStrictEqual=function(t,e,r){t===e&&a(t,e,r,\"!==\",m.notStrictEqual)},m.throws=function(t,e,r){f.apply(this,[!0].concat(p.call(arguments)))},m.doesNotThrow=function(t,e){f.apply(this,[!1].concat(p.call(arguments)))},m.ifError=function(t){if(t)throw t};var g=Object.keys||function(t){var e=[];for(var r in t)v.call(t,r)&&e.push(r);return e}},{\"util/\":62}],53:[function(t,e,r){(function(e){\"use strict\";function n(){try{var t=new Uint8Array(1);return t.foo=function(){return 42},42===t.foo()&&\"function\"==typeof t.subarray&&0===t.subarray(1,1).byteLength}catch(e){return!1}}function i(){return o.TYPED_ARRAY_SUPPORT?2147483647:1073741823}function o(t){return this instanceof o?(o.TYPED_ARRAY_SUPPORT||(this.length=0,this.parent=void 0),\"number\"==typeof t?a(this,t):\"string\"==typeof t?s(this,t,arguments.length>1?arguments[1]:\"utf8\"):l(this,t)):arguments.length>1?new o(t,arguments[1]):new o(t)}function a(t,e){if(t=v(t,0>e?0:0|m(e)),!o.TYPED_ARRAY_SUPPORT)for(var r=0;e>r;r++)t[r]=0;return t}function s(t,e,r){\"string\"==typeof r&&\"\"!==r||(r=\"utf8\");var n=0|y(e,r);return t=v(t,n),t.write(e,r),t}function l(t,e){if(o.isBuffer(e))return u(t,e);if(K(e))return c(t,e);if(null==e)throw new TypeError(\"must start with number, buffer, array or string\");if(\"undefined\"!=typeof ArrayBuffer){if(e.buffer instanceof ArrayBuffer)return h(t,e);if(e instanceof ArrayBuffer)return f(t,e)}return e.length?d(t,e):p(t,e)}function u(t,e){var r=0|m(e.length);return t=v(t,r),e.copy(t,0,0,r),t}function c(t,e){var r=0|m(e.length);t=v(t,r);for(var n=0;r>n;n+=1)t[n]=255&e[n];return t}function h(t,e){var r=0|m(e.length);t=v(t,r);for(var n=0;r>n;n+=1)t[n]=255&e[n];return t}function f(t,e){return e.byteLength,o.TYPED_ARRAY_SUPPORT?(t=new Uint8Array(e),t.__proto__=o.prototype):t=h(t,new Uint8Array(e)),t}function d(t,e){var r=0|m(e.length);t=v(t,r);for(var n=0;r>n;n+=1)t[n]=255&e[n];return t}function p(t,e){var r,n=0;\"Buffer\"===e.type&&K(e.data)&&(r=e.data,n=0|m(r.length)),t=v(t,n);for(var i=0;n>i;i+=1)t[i]=255&r[i];return t}function v(t,e){o.TYPED_ARRAY_SUPPORT?(t=new Uint8Array(e),t.__proto__=o.prototype):t.length=e;var r=0!==e&&e<=o.poolSize>>>1;return r&&(t.parent=J),t}function m(t){if(t>=i())throw new RangeError(\"Attempt to allocate Buffer larger than maximum size: 0x\"+i().toString(16)+\" bytes\");return 0|t}function g(t,e){if(!(this instanceof g))return new g(t,e);var r=new o(t,e);return delete r.parent,r}function y(t,e){\"string\"!=typeof t&&(t=\"\"+t);var r=t.length;if(0===r)return 0;for(var n=!1;;)switch(e){case\"ascii\":case\"binary\":case\"raw\":case\"raws\":return r;case\"utf8\":case\"utf-8\":return q(t).length;case\"ucs2\":case\"ucs-2\":case\"utf16le\":case\"utf-16le\":return 2*r;case\"hex\":return r>>>1;case\"base64\":return X(t).length;default:if(n)return q(t).length;e=(\"\"+e).toLowerCase(),n=!0}}function b(t,e,r){var n=!1;if(e=0|e,r=void 0===r||r===1/0?this.length:0|r,t||(t=\"utf8\"),0>e&&(e=0),r>this.length&&(r=this.length),e>=r)return\"\";for(;;)switch(t){case\"hex\":return I(this,e,r);case\"utf8\":case\"utf-8\":return E(this,e,r);case\"ascii\":return L(this,e,r);case\"binary\":return z(this,e,r);case\"base64\":return T(this,e,r);case\"ucs2\":case\"ucs-2\":case\"utf16le\":case\"utf-16le\":return P(this,e,r);default:if(n)throw new TypeError(\"Unknown encoding: \"+t);t=(t+\"\").toLowerCase(),n=!0}}function x(t,e,r,n){r=Number(r)||0;var i=t.length-r;n?(n=Number(n),n>i&&(n=i)):n=i;var o=e.length;if(o%2!==0)throw new Error(\"Invalid hex string\");n>o/2&&(n=o/2);for(var a=0;n>a;a++){var s=parseInt(e.substr(2*a,2),16);if(isNaN(s))throw new Error(\"Invalid hex string\");t[r+a]=s}return a}function _(t,e,r,n){return Y(q(e,t.length-r),t,r,n)}function w(t,e,r,n){return Y(G(e),t,r,n)}function M(t,e,r,n){return w(t,e,r,n)}function k(t,e,r,n){return Y(X(e),t,r,n)}function A(t,e,r,n){return Y(H(e,t.length-r),t,r,n)}function T(t,e,r){return 0===e&&r===t.length?W.fromByteArray(t):W.fromByteArray(t.slice(e,r))}function E(t,e,r){r=Math.min(t.length,r);for(var n=[],i=e;r>i;){var o=t[i],a=null,s=o>239?4:o>223?3:o>191?2:1;if(r>=i+s){var l,u,c,h;switch(s){case 1:128>o&&(a=o);break;case 2:l=t[i+1],128===(192&l)&&(h=(31&o)<<6|63&l,h>127&&(a=h));break;case 3:l=t[i+1],u=t[i+2],128===(192&l)&&128===(192&u)&&(h=(15&o)<<12|(63&l)<<6|63&u,h>2047&&(55296>h||h>57343)&&(a=h));break;case 4:l=t[i+1],u=t[i+2],c=t[i+3],128===(192&l)&&128===(192&u)&&128===(192&c)&&(h=(15&o)<<18|(63&l)<<12|(63&u)<<6|63&c,h>65535&&1114112>h&&(a=h))}}null===a?(a=65533,s=1):a>65535&&(a-=65536,n.push(a>>>10&1023|55296),a=56320|1023&a),n.push(a),i+=s}return S(n)}function S(t){var e=t.length;if($>=e)return String.fromCharCode.apply(String,t);for(var r=\"\",n=0;e>n;)r+=String.fromCharCode.apply(String,t.slice(n,n+=$));return r}function L(t,e,r){var n=\"\";r=Math.min(t.length,r);for(var i=e;r>i;i++)n+=String.fromCharCode(127&t[i]);return n}function z(t,e,r){var n=\"\";r=Math.min(t.length,r);for(var i=e;r>i;i++)n+=String.fromCharCode(t[i]);return n}function I(t,e,r){var n=t.length;(!e||0>e)&&(e=0),(!r||0>r||r>n)&&(r=n);for(var i=\"\",o=e;r>o;o++)i+=V(t[o]);return i}function P(t,e,r){for(var n=t.slice(e,r),i=\"\",o=0;o<n.length;o+=2)i+=String.fromCharCode(n[o]+256*n[o+1]);return i}function C(t,e,r){if(t%1!==0||0>t)throw new RangeError(\"offset is not uint\");if(t+e>r)throw new RangeError(\"Trying to access beyond buffer length\")}function R(t,e,r,n,i,a){if(!o.isBuffer(t))throw new TypeError(\"buffer must be a Buffer instance\");if(e>i||a>e)throw new RangeError(\"value is out of bounds\");if(r+n>t.length)throw new RangeError(\"index out of range\")}function D(t,e,r,n){0>e&&(e=65535+e+1);for(var i=0,o=Math.min(t.length-r,2);o>i;i++)t[r+i]=(e&255<<8*(n?i:1-i))>>>8*(n?i:1-i)}function O(t,e,r,n){0>e&&(e=4294967295+e+1);for(var i=0,o=Math.min(t.length-r,4);o>i;i++)t[r+i]=e>>>8*(n?i:3-i)&255}function F(t,e,r,n,i,o){if(r+n>t.length)throw new RangeError(\"index out of range\");if(0>r)throw new RangeError(\"index out of range\")}function j(t,e,r,n,i){return i||F(t,e,r,4,3.4028234663852886e38,-3.4028234663852886e38),Z.write(t,e,r,n,23,4),r+4}function N(t,e,r,n,i){return i||F(t,e,r,8,1.7976931348623157e308,-1.7976931348623157e308),Z.write(t,e,r,n,52,8),r+8}function B(t){if(t=U(t).replace(Q,\"\"),t.length<2)return\"\";for(;t.length%4!==0;)t+=\"=\";return t}function U(t){return t.trim?t.trim():t.replace(/^\\s+|\\s+$/g,\"\")}function V(t){return 16>t?\"0\"+t.toString(16):t.toString(16)}function q(t,e){e=e||1/0;for(var r,n=t.length,i=null,o=[],a=0;n>a;a++){if(r=t.charCodeAt(a),r>55295&&57344>r){if(!i){if(r>56319){(e-=3)>-1&&o.push(239,191,189);continue}if(a+1===n){(e-=3)>-1&&o.push(239,191,189);continue}i=r;continue}if(56320>r){(e-=3)>-1&&o.push(239,191,189),i=r;continue}r=(i-55296<<10|r-56320)+65536}else i&&(e-=3)>-1&&o.push(239,191,189);if(i=null,128>r){if((e-=1)<0)break;o.push(r)}else if(2048>r){if((e-=2)<0)break;o.push(r>>6|192,63&r|128)}else if(65536>r){if((e-=3)<0)break;o.push(r>>12|224,r>>6&63|128,63&r|128)}else{if(!(1114112>r))throw new Error(\"Invalid code point\");if((e-=4)<0)break;o.push(r>>18|240,r>>12&63|128,r>>6&63|128,63&r|128)}}return o}function G(t){for(var e=[],r=0;r<t.length;r++)e.push(255&t.charCodeAt(r));return e}function H(t,e){for(var r,n,i,o=[],a=0;a<t.length&&!((e-=2)<0);a++)r=t.charCodeAt(a),n=r>>8,i=r%256,o.push(i),o.push(n);return o}function X(t){return W.toByteArray(B(t))}function Y(t,e,r,n){for(var i=0;n>i&&!(i+r>=e.length||i>=t.length);i++)e[i+r]=t[i];return i}var W=t(\"base64-js\"),Z=t(\"ieee754\"),K=t(\"isarray\");r.Buffer=o,r.SlowBuffer=g,r.INSPECT_MAX_BYTES=50,o.poolSize=8192;var J={};o.TYPED_ARRAY_SUPPORT=void 0!==e.TYPED_ARRAY_SUPPORT?e.TYPED_ARRAY_SUPPORT:n(),o._augment=function(t){return t.__proto__=o.prototype,t},o.TYPED_ARRAY_SUPPORT?(o.prototype.__proto__=Uint8Array.prototype,o.__proto__=Uint8Array,\"undefined\"!=typeof Symbol&&Symbol.species&&o[Symbol.species]===o&&Object.defineProperty(o,Symbol.species,{value:null,configurable:!0})):(o.prototype.length=void 0,o.prototype.parent=void 0),o.isBuffer=function(t){return!(null==t||!t._isBuffer)},o.compare=function(t,e){if(!o.isBuffer(t)||!o.isBuffer(e))throw new TypeError(\"Arguments must be Buffers\");if(t===e)return 0;for(var r=t.length,n=e.length,i=0,a=Math.min(r,n);a>i&&t[i]===e[i];)++i;return i!==a&&(r=t[i],n=e[i]),n>r?-1:r>n?1:0},o.isEncoding=function(t){switch(String(t).toLowerCase()){case\"hex\":case\"utf8\":case\"utf-8\":case\"ascii\":case\"binary\":case\"base64\":case\"raw\":case\"ucs2\":case\"ucs-2\":case\"utf16le\":case\"utf-16le\":return!0;default:return!1}},o.concat=function(t,e){if(!K(t))throw new TypeError(\"list argument must be an Array of Buffers.\");if(0===t.length)return new o(0);var r;if(void 0===e)for(e=0,r=0;r<t.length;r++)e+=t[r].length;var n=new o(e),i=0;for(r=0;r<t.length;r++){var a=t[r];a.copy(n,i),i+=a.length}return n},o.byteLength=y,o.prototype._isBuffer=!0,o.prototype.toString=function(){var t=0|this.length;return 0===t?\"\":0===arguments.length?E(this,0,t):b.apply(this,arguments)},o.prototype.equals=function(t){if(!o.isBuffer(t))throw new TypeError(\"Argument must be a Buffer\");return this===t?!0:0===o.compare(this,t)},o.prototype.inspect=function(){var t=\"\",e=r.INSPECT_MAX_BYTES;return this.length>0&&(t=this.toString(\"hex\",0,e).match(/.{2}/g).join(\" \"),this.length>e&&(t+=\" ... \")),\"<Buffer \"+t+\">\"},o.prototype.compare=function(t){if(!o.isBuffer(t))throw new TypeError(\"Argument must be a Buffer\");return this===t?0:o.compare(this,t)},o.prototype.indexOf=function(t,e){function r(t,e,r){for(var n=-1,i=0;r+i<t.length;i++)if(t[r+i]===e[-1===n?0:i-n]){if(-1===n&&(n=i),i-n+1===e.length)return r+n}else n=-1;return-1}if(e>2147483647?e=2147483647:-2147483648>e&&(e=-2147483648),e>>=0,0===this.length)return-1;if(e>=this.length)return-1;if(0>e&&(e=Math.max(this.length+e,0)),\"string\"==typeof t)return 0===t.length?-1:String.prototype.indexOf.call(this,t,e);if(o.isBuffer(t))return r(this,t,e);if(\"number\"==typeof t)return o.TYPED_ARRAY_SUPPORT&&\"function\"===Uint8Array.prototype.indexOf?Uint8Array.prototype.indexOf.call(this,t,e):r(this,[t],e);throw new TypeError(\"val must be string, number or Buffer\")},o.prototype.write=function(t,e,r,n){if(void 0===e)n=\"utf8\",r=this.length,e=0;else if(void 0===r&&\"string\"==typeof e)n=e,r=this.length,e=0;else if(isFinite(e))e=0|e,isFinite(r)?(r=0|r,void 0===n&&(n=\"utf8\")):(n=r,r=void 0);else{var i=n;n=e,e=0|r,r=i}var o=this.length-e;if((void 0===r||r>o)&&(r=o),t.length>0&&(0>r||0>e)||e>this.length)throw new RangeError(\"attempt to write outside buffer bounds\");n||(n=\"utf8\");for(var a=!1;;)switch(n){case\"hex\":return x(this,t,e,r);case\"utf8\":case\"utf-8\":return _(this,t,e,r);case\"ascii\":return w(this,t,e,r);case\"binary\":return M(this,t,e,r);case\"base64\":return k(this,t,e,r);case\"ucs2\":case\"ucs-2\":case\"utf16le\":case\"utf-16le\":return A(this,t,e,r);default:if(a)throw new TypeError(\"Unknown encoding: \"+n);n=(\"\"+n).toLowerCase(),a=!0}},o.prototype.toJSON=function(){return{type:\"Buffer\",data:Array.prototype.slice.call(this._arr||this,0)}};var $=4096;o.prototype.slice=function(t,e){var r=this.length;t=~~t,e=void 0===e?r:~~e,0>t?(t+=r,0>t&&(t=0)):t>r&&(t=r),0>e?(e+=r,0>e&&(e=0)):e>r&&(e=r),t>e&&(e=t);var n;if(o.TYPED_ARRAY_SUPPORT)n=this.subarray(t,e),n.__proto__=o.prototype;else{var i=e-t;n=new o(i,void 0);for(var a=0;i>a;a++)n[a]=this[a+t]}return n.length&&(n.parent=this.parent||this),n},o.prototype.readUIntLE=function(t,e,r){t=0|t,e=0|e,r||C(t,e,this.length);for(var n=this[t],i=1,o=0;++o<e&&(i*=256);)n+=this[t+o]*i;return n},o.prototype.readUIntBE=function(t,e,r){t=0|t,e=0|e,r||C(t,e,this.length);for(var n=this[t+--e],i=1;e>0&&(i*=256);)n+=this[t+--e]*i;return n},o.prototype.readUInt8=function(t,e){return e||C(t,1,this.length),this[t]},o.prototype.readUInt16LE=function(t,e){return e||C(t,2,this.length),this[t]|this[t+1]<<8},o.prototype.readUInt16BE=function(t,e){return e||C(t,2,this.length),this[t]<<8|this[t+1]},o.prototype.readUInt32LE=function(t,e){return e||C(t,4,this.length),(this[t]|this[t+1]<<8|this[t+2]<<16)+16777216*this[t+3]},o.prototype.readUInt32BE=function(t,e){return e||C(t,4,this.length),16777216*this[t]+(this[t+1]<<16|this[t+2]<<8|this[t+3])},o.prototype.readIntLE=function(t,e,r){t=0|t,e=0|e,r||C(t,e,this.length);for(var n=this[t],i=1,o=0;++o<e&&(i*=256);)n+=this[t+o]*i;return i*=128,n>=i&&(n-=Math.pow(2,8*e)),n},o.prototype.readIntBE=function(t,e,r){t=0|t,e=0|e,r||C(t,e,this.length);for(var n=e,i=1,o=this[t+--n];n>0&&(i*=256);)o+=this[t+--n]*i;return i*=128,o>=i&&(o-=Math.pow(2,8*e)),o},o.prototype.readInt8=function(t,e){return e||C(t,1,this.length),128&this[t]?-1*(255-this[t]+1):this[t]},o.prototype.readInt16LE=function(t,e){e||C(t,2,this.length);var r=this[t]|this[t+1]<<8;return 32768&r?4294901760|r:r},o.prototype.readInt16BE=function(t,e){e||C(t,2,this.length);var r=this[t+1]|this[t]<<8;return 32768&r?4294901760|r:r},o.prototype.readInt32LE=function(t,e){return e||C(t,4,this.length),this[t]|this[t+1]<<8|this[t+2]<<16|this[t+3]<<24},o.prototype.readInt32BE=function(t,e){return e||C(t,4,this.length),this[t]<<24|this[t+1]<<16|this[t+2]<<8|this[t+3]},o.prototype.readFloatLE=function(t,e){return e||C(t,4,this.length),Z.read(this,t,!0,23,4)},o.prototype.readFloatBE=function(t,e){return e||C(t,4,this.length),Z.read(this,t,!1,23,4)},o.prototype.readDoubleLE=function(t,e){return e||C(t,8,this.length),Z.read(this,t,!0,52,8)},o.prototype.readDoubleBE=function(t,e){\nreturn e||C(t,8,this.length),Z.read(this,t,!1,52,8)},o.prototype.writeUIntLE=function(t,e,r,n){t=+t,e=0|e,r=0|r,n||R(this,t,e,r,Math.pow(2,8*r),0);var i=1,o=0;for(this[e]=255&t;++o<r&&(i*=256);)this[e+o]=t/i&255;return e+r},o.prototype.writeUIntBE=function(t,e,r,n){t=+t,e=0|e,r=0|r,n||R(this,t,e,r,Math.pow(2,8*r),0);var i=r-1,o=1;for(this[e+i]=255&t;--i>=0&&(o*=256);)this[e+i]=t/o&255;return e+r},o.prototype.writeUInt8=function(t,e,r){return t=+t,e=0|e,r||R(this,t,e,1,255,0),o.TYPED_ARRAY_SUPPORT||(t=Math.floor(t)),this[e]=255&t,e+1},o.prototype.writeUInt16LE=function(t,e,r){return t=+t,e=0|e,r||R(this,t,e,2,65535,0),o.TYPED_ARRAY_SUPPORT?(this[e]=255&t,this[e+1]=t>>>8):D(this,t,e,!0),e+2},o.prototype.writeUInt16BE=function(t,e,r){return t=+t,e=0|e,r||R(this,t,e,2,65535,0),o.TYPED_ARRAY_SUPPORT?(this[e]=t>>>8,this[e+1]=255&t):D(this,t,e,!1),e+2},o.prototype.writeUInt32LE=function(t,e,r){return t=+t,e=0|e,r||R(this,t,e,4,4294967295,0),o.TYPED_ARRAY_SUPPORT?(this[e+3]=t>>>24,this[e+2]=t>>>16,this[e+1]=t>>>8,this[e]=255&t):O(this,t,e,!0),e+4},o.prototype.writeUInt32BE=function(t,e,r){return t=+t,e=0|e,r||R(this,t,e,4,4294967295,0),o.TYPED_ARRAY_SUPPORT?(this[e]=t>>>24,this[e+1]=t>>>16,this[e+2]=t>>>8,this[e+3]=255&t):O(this,t,e,!1),e+4},o.prototype.writeIntLE=function(t,e,r,n){if(t=+t,e=0|e,!n){var i=Math.pow(2,8*r-1);R(this,t,e,r,i-1,-i)}var o=0,a=1,s=0>t?1:0;for(this[e]=255&t;++o<r&&(a*=256);)this[e+o]=(t/a>>0)-s&255;return e+r},o.prototype.writeIntBE=function(t,e,r,n){if(t=+t,e=0|e,!n){var i=Math.pow(2,8*r-1);R(this,t,e,r,i-1,-i)}var o=r-1,a=1,s=0>t?1:0;for(this[e+o]=255&t;--o>=0&&(a*=256);)this[e+o]=(t/a>>0)-s&255;return e+r},o.prototype.writeInt8=function(t,e,r){return t=+t,e=0|e,r||R(this,t,e,1,127,-128),o.TYPED_ARRAY_SUPPORT||(t=Math.floor(t)),0>t&&(t=255+t+1),this[e]=255&t,e+1},o.prototype.writeInt16LE=function(t,e,r){return t=+t,e=0|e,r||R(this,t,e,2,32767,-32768),o.TYPED_ARRAY_SUPPORT?(this[e]=255&t,this[e+1]=t>>>8):D(this,t,e,!0),e+2},o.prototype.writeInt16BE=function(t,e,r){return t=+t,e=0|e,r||R(this,t,e,2,32767,-32768),o.TYPED_ARRAY_SUPPORT?(this[e]=t>>>8,this[e+1]=255&t):D(this,t,e,!1),e+2},o.prototype.writeInt32LE=function(t,e,r){return t=+t,e=0|e,r||R(this,t,e,4,2147483647,-2147483648),o.TYPED_ARRAY_SUPPORT?(this[e]=255&t,this[e+1]=t>>>8,this[e+2]=t>>>16,this[e+3]=t>>>24):O(this,t,e,!0),e+4},o.prototype.writeInt32BE=function(t,e,r){return t=+t,e=0|e,r||R(this,t,e,4,2147483647,-2147483648),0>t&&(t=4294967295+t+1),o.TYPED_ARRAY_SUPPORT?(this[e]=t>>>24,this[e+1]=t>>>16,this[e+2]=t>>>8,this[e+3]=255&t):O(this,t,e,!1),e+4},o.prototype.writeFloatLE=function(t,e,r){return j(this,t,e,!0,r)},o.prototype.writeFloatBE=function(t,e,r){return j(this,t,e,!1,r)},o.prototype.writeDoubleLE=function(t,e,r){return N(this,t,e,!0,r)},o.prototype.writeDoubleBE=function(t,e,r){return N(this,t,e,!1,r)},o.prototype.copy=function(t,e,r,n){if(r||(r=0),n||0===n||(n=this.length),e>=t.length&&(e=t.length),e||(e=0),n>0&&r>n&&(n=r),n===r)return 0;if(0===t.length||0===this.length)return 0;if(0>e)throw new RangeError(\"targetStart out of bounds\");if(0>r||r>=this.length)throw new RangeError(\"sourceStart out of bounds\");if(0>n)throw new RangeError(\"sourceEnd out of bounds\");n>this.length&&(n=this.length),t.length-e<n-r&&(n=t.length-e+r);var i,a=n-r;if(this===t&&e>r&&n>e)for(i=a-1;i>=0;i--)t[i+e]=this[i+r];else if(1e3>a||!o.TYPED_ARRAY_SUPPORT)for(i=0;a>i;i++)t[i+e]=this[i+r];else Uint8Array.prototype.set.call(t,this.subarray(r,r+a),e);return a},o.prototype.fill=function(t,e,r){if(t||(t=0),e||(e=0),r||(r=this.length),e>r)throw new RangeError(\"end < start\");if(r!==e&&0!==this.length){if(0>e||e>=this.length)throw new RangeError(\"start out of bounds\");if(0>r||r>this.length)throw new RangeError(\"end out of bounds\");var n;if(\"number\"==typeof t)for(n=e;r>n;n++)this[n]=t;else{var i=q(t.toString()),o=i.length;for(n=e;r>n;n++)this[n]=i[n%o]}return this}};var Q=/[^+\\/0-9A-Za-z-_]/g}).call(this,\"undefined\"!=typeof global?global:\"undefined\"!=typeof self?self:\"undefined\"!=typeof window?window:{})},{\"base64-js\":54,ieee754:55,isarray:56}],54:[function(t,e,r){\"use strict\";function n(){var t,e=\"ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/\",r=e.length;for(t=0;r>t;t++)l[t]=e[t];for(t=0;r>t;++t)u[e.charCodeAt(t)]=t;u[\"-\".charCodeAt(0)]=62,u[\"_\".charCodeAt(0)]=63}function i(t){var e,r,n,i,o,a,s=t.length;if(s%4>0)throw new Error(\"Invalid string. Length must be a multiple of 4\");o=\"=\"===t[s-2]?2:\"=\"===t[s-1]?1:0,a=new c(3*s/4-o),n=o>0?s-4:s;var l=0;for(e=0,r=0;n>e;e+=4,r+=3)i=u[t.charCodeAt(e)]<<18|u[t.charCodeAt(e+1)]<<12|u[t.charCodeAt(e+2)]<<6|u[t.charCodeAt(e+3)],a[l++]=(16711680&i)>>16,a[l++]=(65280&i)>>8,a[l++]=255&i;return 2===o?(i=u[t.charCodeAt(e)]<<2|u[t.charCodeAt(e+1)]>>4,a[l++]=255&i):1===o&&(i=u[t.charCodeAt(e)]<<10|u[t.charCodeAt(e+1)]<<4|u[t.charCodeAt(e+2)]>>2,a[l++]=i>>8&255,a[l++]=255&i),a}function o(t){return l[t>>18&63]+l[t>>12&63]+l[t>>6&63]+l[63&t]}function a(t,e,r){for(var n,i=[],a=e;r>a;a+=3)n=(t[a]<<16)+(t[a+1]<<8)+t[a+2],i.push(o(n));return i.join(\"\")}function s(t){for(var e,r=t.length,n=r%3,i=\"\",o=[],s=16383,u=0,c=r-n;c>u;u+=s)o.push(a(t,u,u+s>c?c:u+s));return 1===n?(e=t[r-1],i+=l[e>>2],i+=l[e<<4&63],i+=\"==\"):2===n&&(e=(t[r-2]<<8)+t[r-1],i+=l[e>>10],i+=l[e>>4&63],i+=l[e<<2&63],i+=\"=\"),o.push(i),o.join(\"\")}r.toByteArray=i,r.fromByteArray=s;var l=[],u=[],c=\"undefined\"!=typeof Uint8Array?Uint8Array:Array;n()},{}],55:[function(t,e,r){r.read=function(t,e,r,n,i){var o,a,s=8*i-n-1,l=(1<<s)-1,u=l>>1,c=-7,h=r?i-1:0,f=r?-1:1,d=t[e+h];for(h+=f,o=d&(1<<-c)-1,d>>=-c,c+=s;c>0;o=256*o+t[e+h],h+=f,c-=8);for(a=o&(1<<-c)-1,o>>=-c,c+=n;c>0;a=256*a+t[e+h],h+=f,c-=8);if(0===o)o=1-u;else{if(o===l)return a?NaN:(d?-1:1)*(1/0);a+=Math.pow(2,n),o-=u}return(d?-1:1)*a*Math.pow(2,o-n)},r.write=function(t,e,r,n,i,o){var a,s,l,u=8*o-i-1,c=(1<<u)-1,h=c>>1,f=23===i?Math.pow(2,-24)-Math.pow(2,-77):0,d=n?0:o-1,p=n?1:-1,v=0>e||0===e&&0>1/e?1:0;for(e=Math.abs(e),isNaN(e)||e===1/0?(s=isNaN(e)?1:0,a=c):(a=Math.floor(Math.log(e)/Math.LN2),e*(l=Math.pow(2,-a))<1&&(a--,l*=2),e+=a+h>=1?f/l:f*Math.pow(2,1-h),e*l>=2&&(a++,l/=2),a+h>=c?(s=0,a=c):a+h>=1?(s=(e*l-1)*Math.pow(2,i),a+=h):(s=e*Math.pow(2,h-1)*Math.pow(2,i),a=0));i>=8;t[r+d]=255&s,d+=p,s/=256,i-=8);for(a=a<<i|s,u+=i;u>0;t[r+d]=255&a,d+=p,a/=256,u-=8);t[r+d-p]|=128*v}},{}],56:[function(t,e,r){var n={}.toString;e.exports=Array.isArray||function(t){return\"[object Array]\"==n.call(t)}},{}],57:[function(t,e,r){function n(){this._events=this._events||{},this._maxListeners=this._maxListeners||void 0}function i(t){return\"function\"==typeof t}function o(t){return\"number\"==typeof t}function a(t){return\"object\"==typeof t&&null!==t}function s(t){return void 0===t}e.exports=n,n.EventEmitter=n,n.prototype._events=void 0,n.prototype._maxListeners=void 0,n.defaultMaxListeners=10,n.prototype.setMaxListeners=function(t){if(!o(t)||0>t||isNaN(t))throw TypeError(\"n must be a positive number\");return this._maxListeners=t,this},n.prototype.emit=function(t){var e,r,n,o,l,u;if(this._events||(this._events={}),\"error\"===t&&(!this._events.error||a(this._events.error)&&!this._events.error.length)){if(e=arguments[1],e instanceof Error)throw e;throw TypeError('Uncaught, unspecified \"error\" event.')}if(r=this._events[t],s(r))return!1;if(i(r))switch(arguments.length){case 1:r.call(this);break;case 2:r.call(this,arguments[1]);break;case 3:r.call(this,arguments[1],arguments[2]);break;default:o=Array.prototype.slice.call(arguments,1),r.apply(this,o)}else if(a(r))for(o=Array.prototype.slice.call(arguments,1),u=r.slice(),n=u.length,l=0;n>l;l++)u[l].apply(this,o);return!0},n.prototype.addListener=function(t,e){var r;if(!i(e))throw TypeError(\"listener must be a function\");return this._events||(this._events={}),this._events.newListener&&this.emit(\"newListener\",t,i(e.listener)?e.listener:e),this._events[t]?a(this._events[t])?this._events[t].push(e):this._events[t]=[this._events[t],e]:this._events[t]=e,a(this._events[t])&&!this._events[t].warned&&(r=s(this._maxListeners)?n.defaultMaxListeners:this._maxListeners,r&&r>0&&this._events[t].length>r&&(this._events[t].warned=!0,console.error(\"(node) warning: possible EventEmitter memory leak detected. %d listeners added. Use emitter.setMaxListeners() to increase limit.\",this._events[t].length),\"function\"==typeof console.trace&&console.trace())),this},n.prototype.on=n.prototype.addListener,n.prototype.once=function(t,e){function r(){this.removeListener(t,r),n||(n=!0,e.apply(this,arguments))}if(!i(e))throw TypeError(\"listener must be a function\");var n=!1;return r.listener=e,this.on(t,r),this},n.prototype.removeListener=function(t,e){var r,n,o,s;if(!i(e))throw TypeError(\"listener must be a function\");if(!this._events||!this._events[t])return this;if(r=this._events[t],o=r.length,n=-1,r===e||i(r.listener)&&r.listener===e)delete this._events[t],this._events.removeListener&&this.emit(\"removeListener\",t,e);else if(a(r)){for(s=o;s-- >0;)if(r[s]===e||r[s].listener&&r[s].listener===e){n=s;break}if(0>n)return this;1===r.length?(r.length=0,delete this._events[t]):r.splice(n,1),this._events.removeListener&&this.emit(\"removeListener\",t,e)}return this},n.prototype.removeAllListeners=function(t){var e,r;if(!this._events)return this;if(!this._events.removeListener)return 0===arguments.length?this._events={}:this._events[t]&&delete this._events[t],this;if(0===arguments.length){for(e in this._events)\"removeListener\"!==e&&this.removeAllListeners(e);return this.removeAllListeners(\"removeListener\"),this._events={},this}if(r=this._events[t],i(r))this.removeListener(t,r);else if(r)for(;r.length;)this.removeListener(t,r[r.length-1]);return delete this._events[t],this},n.prototype.listeners=function(t){var e;return e=this._events&&this._events[t]?i(this._events[t])?[this._events[t]]:this._events[t].slice():[]},n.prototype.listenerCount=function(t){if(this._events){var e=this._events[t];if(i(e))return 1;if(e)return e.length}return 0},n.listenerCount=function(t,e){return t.listenerCount(e)}},{}],58:[function(t,e,r){\"function\"==typeof Object.create?e.exports=function(t,e){t.super_=e,t.prototype=Object.create(e.prototype,{constructor:{value:t,enumerable:!1,writable:!0,configurable:!0}})}:e.exports=function(t,e){t.super_=e;var r=function(){};r.prototype=e.prototype,t.prototype=new r,t.prototype.constructor=t}},{}],59:[function(t,e,r){(function(t){function e(t,e){for(var r=0,n=t.length-1;n>=0;n--){var i=t[n];\".\"===i?t.splice(n,1):\"..\"===i?(t.splice(n,1),r++):r&&(t.splice(n,1),r--)}if(e)for(;r--;r)t.unshift(\"..\");return t}function n(t,e){if(t.filter)return t.filter(e);for(var r=[],n=0;n<t.length;n++)e(t[n],n,t)&&r.push(t[n]);return r}var i=/^(\\/?|)([\\s\\S]*?)((?:\\.{1,2}|[^\\/]+?|)(\\.[^.\\/]*|))(?:[\\/]*)$/,o=function(t){return i.exec(t).slice(1)};r.resolve=function(){for(var r=\"\",i=!1,o=arguments.length-1;o>=-1&&!i;o--){var a=o>=0?arguments[o]:t.cwd();if(\"string\"!=typeof a)throw new TypeError(\"Arguments to path.resolve must be strings\");a&&(r=a+\"/\"+r,i=\"/\"===a.charAt(0))}return r=e(n(r.split(\"/\"),function(t){return!!t}),!i).join(\"/\"),(i?\"/\":\"\")+r||\".\"},r.normalize=function(t){var i=r.isAbsolute(t),o=\"/\"===a(t,-1);return t=e(n(t.split(\"/\"),function(t){return!!t}),!i).join(\"/\"),t||i||(t=\".\"),t&&o&&(t+=\"/\"),(i?\"/\":\"\")+t},r.isAbsolute=function(t){return\"/\"===t.charAt(0)},r.join=function(){var t=Array.prototype.slice.call(arguments,0);return r.normalize(n(t,function(t,e){if(\"string\"!=typeof t)throw new TypeError(\"Arguments to path.join must be strings\");return t}).join(\"/\"))},r.relative=function(t,e){function n(t){for(var e=0;e<t.length&&\"\"===t[e];e++);for(var r=t.length-1;r>=0&&\"\"===t[r];r--);return e>r?[]:t.slice(e,r-e+1)}t=r.resolve(t).substr(1),e=r.resolve(e).substr(1);for(var i=n(t.split(\"/\")),o=n(e.split(\"/\")),a=Math.min(i.length,o.length),s=a,l=0;a>l;l++)if(i[l]!==o[l]){s=l;break}for(var u=[],l=s;l<i.length;l++)u.push(\"..\");return u=u.concat(o.slice(s)),u.join(\"/\")},r.sep=\"/\",r.delimiter=\":\",r.dirname=function(t){var e=o(t),r=e[0],n=e[1];return r||n?(n&&(n=n.substr(0,n.length-1)),r+n):\".\"},r.basename=function(t,e){var r=o(t)[2];return e&&r.substr(-1*e.length)===e&&(r=r.substr(0,r.length-e.length)),r},r.extname=function(t){return o(t)[3]};var a=\"b\"===\"ab\".substr(-1)?function(t,e,r){return t.substr(e,r)}:function(t,e,r){return 0>e&&(e=t.length+e),t.substr(e,r)}}).call(this,t(\"_process\"))},{_process:60}],60:[function(t,e,r){function n(){c=!1,s.length?u=s.concat(u):h=-1,u.length&&i()}function i(){if(!c){var t=setTimeout(n);c=!0;for(var e=u.length;e;){for(s=u,u=[];++h<e;)s&&s[h].run();h=-1,e=u.length}s=null,c=!1,clearTimeout(t)}}function o(t,e){this.fun=t,this.array=e}function a(){}var s,l=e.exports={},u=[],c=!1,h=-1;l.nextTick=function(t){var e=new Array(arguments.length-1);if(arguments.length>1)for(var r=1;r<arguments.length;r++)e[r-1]=arguments[r];u.push(new o(t,e)),1!==u.length||c||setTimeout(i,0)},o.prototype.run=function(){this.fun.apply(null,this.array)},l.title=\"browser\",l.browser=!0,l.env={},l.argv=[],l.version=\"\",l.versions={},l.on=a,l.addListener=a,l.once=a,l.off=a,l.removeListener=a,l.removeAllListeners=a,l.emit=a,l.binding=function(t){throw new Error(\"process.binding is not supported\")},l.cwd=function(){return\"/\"},l.chdir=function(t){throw new Error(\"process.chdir is not supported\")},l.umask=function(){return 0}},{}],61:[function(t,e,r){e.exports=function(t){return t&&\"object\"==typeof t&&\"function\"==typeof t.copy&&\"function\"==typeof t.fill&&\"function\"==typeof t.readUInt8}},{}],62:[function(t,e,r){(function(e,n){function i(t,e){var n={seen:[],stylize:a};return arguments.length>=3&&(n.depth=arguments[2]),arguments.length>=4&&(n.colors=arguments[3]),v(e)?n.showHidden=e:e&&r._extend(n,e),_(n.showHidden)&&(n.showHidden=!1),_(n.depth)&&(n.depth=2),_(n.colors)&&(n.colors=!1),_(n.customInspect)&&(n.customInspect=!0),n.colors&&(n.stylize=o),l(n,t,n.depth)}function o(t,e){var r=i.styles[e];return r?\"\u001b[\"+i.colors[r][0]+\"m\"+t+\"\u001b[\"+i.colors[r][1]+\"m\":t}function a(t,e){return t}function s(t){var e={};return t.forEach(function(t,r){e[t]=!0}),e}function l(t,e,n){if(t.customInspect&&e&&T(e.inspect)&&e.inspect!==r.inspect&&(!e.constructor||e.constructor.prototype!==e)){var i=e.inspect(n,t);return b(i)||(i=l(t,i,n)),i}var o=u(t,e);if(o)return o;var a=Object.keys(e),v=s(a);if(t.showHidden&&(a=Object.getOwnPropertyNames(e)),A(e)&&(a.indexOf(\"message\")>=0||a.indexOf(\"description\")>=0))return c(e);if(0===a.length){if(T(e)){var m=e.name?\": \"+e.name:\"\";return t.stylize(\"[Function\"+m+\"]\",\"special\")}if(w(e))return t.stylize(RegExp.prototype.toString.call(e),\"regexp\");if(k(e))return t.stylize(Date.prototype.toString.call(e),\"date\");if(A(e))return c(e)}var g=\"\",y=!1,x=[\"{\",\"}\"];if(p(e)&&(y=!0,x=[\"[\",\"]\"]),T(e)){var _=e.name?\": \"+e.name:\"\";g=\" [Function\"+_+\"]\"}if(w(e)&&(g=\" \"+RegExp.prototype.toString.call(e)),k(e)&&(g=\" \"+Date.prototype.toUTCString.call(e)),A(e)&&(g=\" \"+c(e)),0===a.length&&(!y||0==e.length))return x[0]+g+x[1];if(0>n)return w(e)?t.stylize(RegExp.prototype.toString.call(e),\"regexp\"):t.stylize(\"[Object]\",\"special\");t.seen.push(e);var M;return M=y?h(t,e,n,v,a):a.map(function(r){return f(t,e,n,v,r,y)}),t.seen.pop(),d(M,g,x)}function u(t,e){if(_(e))return t.stylize(\"undefined\",\"undefined\");if(b(e)){var r=\"'\"+JSON.stringify(e).replace(/^\"|\"$/g,\"\").replace(/'/g,\"\\\\'\").replace(/\\\\\"/g,'\"')+\"'\";return t.stylize(r,\"string\")}return y(e)?t.stylize(\"\"+e,\"number\"):v(e)?t.stylize(\"\"+e,\"boolean\"):m(e)?t.stylize(\"null\",\"null\"):void 0}function c(t){return\"[\"+Error.prototype.toString.call(t)+\"]\"}function h(t,e,r,n,i){for(var o=[],a=0,s=e.length;s>a;++a)I(e,String(a))?o.push(f(t,e,r,n,String(a),!0)):o.push(\"\");return i.forEach(function(i){i.match(/^\\d+$/)||o.push(f(t,e,r,n,i,!0))}),o}function f(t,e,r,n,i,o){var a,s,u;if(u=Object.getOwnPropertyDescriptor(e,i)||{value:e[i]},u.get?s=u.set?t.stylize(\"[Getter/Setter]\",\"special\"):t.stylize(\"[Getter]\",\"special\"):u.set&&(s=t.stylize(\"[Setter]\",\"special\")),I(n,i)||(a=\"[\"+i+\"]\"),s||(t.seen.indexOf(u.value)<0?(s=m(r)?l(t,u.value,null):l(t,u.value,r-1),s.indexOf(\"\\n\")>-1&&(s=o?s.split(\"\\n\").map(function(t){return\"  \"+t}).join(\"\\n\").substr(2):\"\\n\"+s.split(\"\\n\").map(function(t){return\"   \"+t}).join(\"\\n\"))):s=t.stylize(\"[Circular]\",\"special\")),_(a)){if(o&&i.match(/^\\d+$/))return s;a=JSON.stringify(\"\"+i),a.match(/^\"([a-zA-Z_][a-zA-Z_0-9]*)\"$/)?(a=a.substr(1,a.length-2),a=t.stylize(a,\"name\")):(a=a.replace(/'/g,\"\\\\'\").replace(/\\\\\"/g,'\"').replace(/(^\"|\"$)/g,\"'\"),a=t.stylize(a,\"string\"))}return a+\": \"+s}function d(t,e,r){var n=0,i=t.reduce(function(t,e){return n++,e.indexOf(\"\\n\")>=0&&n++,t+e.replace(/\\u001b\\[\\d\\d?m/g,\"\").length+1},0);return i>60?r[0]+(\"\"===e?\"\":e+\"\\n \")+\" \"+t.join(\",\\n  \")+\" \"+r[1]:r[0]+e+\" \"+t.join(\", \")+\" \"+r[1]}function p(t){return Array.isArray(t)}function v(t){return\"boolean\"==typeof t}function m(t){return null===t}function g(t){return null==t}function y(t){return\"number\"==typeof t}function b(t){return\"string\"==typeof t}function x(t){return\"symbol\"==typeof t}function _(t){return void 0===t}function w(t){return M(t)&&\"[object RegExp]\"===S(t)}function M(t){return\"object\"==typeof t&&null!==t}function k(t){return M(t)&&\"[object Date]\"===S(t)}function A(t){return M(t)&&(\"[object Error]\"===S(t)||t instanceof Error)}function T(t){return\"function\"==typeof t}function E(t){return null===t||\"boolean\"==typeof t||\"number\"==typeof t||\"string\"==typeof t||\"symbol\"==typeof t||\"undefined\"==typeof t}function S(t){return Object.prototype.toString.call(t)}function L(t){return 10>t?\"0\"+t.toString(10):t.toString(10)}function z(){var t=new Date,e=[L(t.getHours()),L(t.getMinutes()),L(t.getSeconds())].join(\":\");return[t.getDate(),D[t.getMonth()],e].join(\" \")}function I(t,e){return Object.prototype.hasOwnProperty.call(t,e)}var P=/%[sdj%]/g;r.format=function(t){if(!b(t)){for(var e=[],r=0;r<arguments.length;r++)e.push(i(arguments[r]));return e.join(\" \")}for(var r=1,n=arguments,o=n.length,a=String(t).replace(P,function(t){if(\"%%\"===t)return\"%\";if(r>=o)return t;switch(t){case\"%s\":return String(n[r++]);case\"%d\":return Number(n[r++]);case\"%j\":try{return JSON.stringify(n[r++])}catch(e){return\"[Circular]\"}default:return t}}),s=n[r];o>r;s=n[++r])a+=m(s)||!M(s)?\" \"+s:\" \"+i(s);return a},r.deprecate=function(t,i){function o(){if(!a){if(e.throwDeprecation)throw new Error(i);e.traceDeprecation?console.trace(i):console.error(i),a=!0}return t.apply(this,arguments)}if(_(n.process))return function(){return r.deprecate(t,i).apply(this,arguments)};if(e.noDeprecation===!0)return t;var a=!1;return o};var C,R={};r.debuglog=function(t){if(_(C)&&(C=e.env.NODE_DEBUG||\"\"),t=t.toUpperCase(),!R[t])if(new RegExp(\"\\\\b\"+t+\"\\\\b\",\"i\").test(C)){var n=e.pid;R[t]=function(){var e=r.format.apply(r,arguments);console.error(\"%s %d: %s\",t,n,e)}}else R[t]=function(){};return R[t]},r.inspect=i,i.colors={bold:[1,22],italic:[3,23],underline:[4,24],inverse:[7,27],white:[37,39],grey:[90,39],black:[30,39],blue:[34,39],cyan:[36,39],green:[32,39],magenta:[35,39],red:[31,39],yellow:[33,39]},i.styles={special:\"cyan\",number:\"yellow\",\"boolean\":\"yellow\",undefined:\"grey\",\"null\":\"bold\",string:\"green\",date:\"magenta\",regexp:\"red\"},r.isArray=p,r.isBoolean=v,r.isNull=m,r.isNullOrUndefined=g,r.isNumber=y,r.isString=b,r.isSymbol=x,r.isUndefined=_,r.isRegExp=w,r.isObject=M,r.isDate=k,r.isError=A,r.isFunction=T,r.isPrimitive=E,r.isBuffer=t(\"./support/isBuffer\");var D=[\"Jan\",\"Feb\",\"Mar\",\"Apr\",\"May\",\"Jun\",\"Jul\",\"Aug\",\"Sep\",\"Oct\",\"Nov\",\"Dec\"];r.log=function(){console.log(\"%s - %s\",z(),r.format.apply(r,arguments))},r.inherits=t(\"inherits\"),r._extend=function(t,e){if(!e||!M(e))return t;for(var r=Object.keys(e),n=r.length;n--;)t[r[n]]=e[r[n]];return t}}).call(this,t(\"_process\"),\"undefined\"!=typeof global?global:\"undefined\"!=typeof self?self:\"undefined\"!=typeof window?window:{})},{\"./support/isBuffer\":61,_process:60,inherits:58}],63:[function(t,e,r){\"use strict\";function n(t){return[Math.min(t[0],t[1]),Math.max(t[0],t[1])]}function i(t,e){return t[0]-e[0]||t[1]-e[1]}function o(t){return t.map(n).sort(i)}function a(t,e,r){return e in t?t[e]:r}function s(t,e,r){Array.isArray(e)?(r=r||{},e=e||[]):(r=e||{},e=[]);var n=!!a(r,\"delaunay\",!0),i=!!a(r,\"interior\",!0),s=!!a(r,\"exterior\",!0),f=!!a(r,\"infinity\",!1);if(!i&&!s||0===t.length)return[];var d=l(t,e);if(n||i!==s||f){for(var p=u(t.length,o(e)),v=0;v<d.length;++v){var m=d[v];p.addTriangle(m[0],m[1],m[2])}return n&&c(t,p),s?i?f?h(p,0,f):p.cells():h(p,1,f):h(p,-1)}return d}var l=t(\"./lib/monotone\"),u=t(\"./lib/triangulation\"),c=t(\"./lib/delaunay\"),h=t(\"./lib/filter\");e.exports=s},{\"./lib/delaunay\":64,\"./lib/filter\":65,\"./lib/monotone\":66,\"./lib/triangulation\":67}],64:[function(t,e,r){\"use strict\";function n(t,e,r,n,i,a){var s=e.opposite(n,i);if(!(0>s)){if(n>i){var l=n;n=i,i=l,l=a,a=s,s=l}e.isConstraint(n,i)||o(t[n],t[i],t[a],t[s])<0&&r.push(n,i)}}function i(t,e){for(var r=[],i=t.length,a=e.stars,s=0;i>s;++s)for(var l=a[s],u=1;u<l.length;u+=2){var c=l[u];if(!(s>c||e.isConstraint(s,c))){for(var h=l[u-1],f=-1,d=1;d<l.length;d+=2)if(l[d-1]===c){f=l[d];break}0>f||o(t[s],t[c],t[h],t[f])<0&&r.push(s,c)}}for(;r.length>0;){for(var c=r.pop(),s=r.pop(),h=-1,f=-1,l=a[s],p=1;p<l.length;p+=2){var v=l[p-1],m=l[p];v===c?f=m:m===c&&(h=v)}0>h||0>f||o(t[s],t[c],t[h],t[f])>=0||(e.flip(s,c),n(t,e,r,h,s,f),n(t,e,r,s,f,h),n(t,e,r,f,c,h),n(t,e,r,c,h,f))}}var o=t(\"robust-in-sphere\")[4];t(\"binary-search-bounds\");e.exports=i},{\"binary-search-bounds\":68,\"robust-in-sphere\":69}],65:[function(t,e,r){\"use strict\";function n(t,e,r,n,i,o,a){this.cells=t,this.neighbor=e,this.flags=n,this.constraint=r,this.active=i,this.next=o,this.boundary=a}function i(t,e){return t[0]-e[0]||t[1]-e[1]||t[2]-e[2]}function o(t,e){for(var r=t.cells(),o=r.length,a=0;o>a;++a){var s=r[a],l=s[0],u=s[1],c=s[2];c>u?l>u&&(s[0]=u,s[1]=c,s[2]=l):l>c&&(s[0]=c,s[1]=l,s[2]=u)}r.sort(i);for(var h=new Array(o),a=0;a<h.length;++a)h[a]=0;var f=[],d=[],p=new Array(3*o),v=new Array(3*o),m=null;e&&(m=[]);for(var g=new n(r,p,v,h,f,d,m),a=0;o>a;++a)for(var s=r[a],y=0;3>y;++y){var l=s[y],u=s[(y+1)%3],b=p[3*a+y]=g.locate(u,l,t.opposite(u,l)),x=v[3*a+y]=t.isConstraint(l,u);0>b&&(x?d.push(a):(f.push(a),h[a]=1),e&&m.push([u,l,-1]))}return g}function a(t,e,r){for(var n=0,i=0;i<t.length;++i)e[i]===r&&(t[n++]=t[i]);return t.length=n,t}function s(t,e,r){var n=o(t,r);if(0===e)return r?n.cells.concat(n.boundary):n.cells;for(var i=1,s=n.active,l=n.next,u=n.flags,c=n.cells,h=n.constraint,f=n.neighbor;s.length>0||l.length>0;){for(;s.length>0;){var d=s.pop();if(u[d]!==-i){u[d]=i;for(var p=(c[d],0);3>p;++p){var v=f[3*d+p];v>=0&&0===u[v]&&(h[3*d+p]?l.push(v):(s.push(v),u[v]=i))}}}var m=l;l=s,s=m,l.length=0,i=-i}var g=a(c,u,e);return r?g.concat(n.boundary):g}var l=t(\"binary-search-bounds\");e.exports=s;var u=n.prototype;u.locate=function(){var t=[0,0,0];return function(e,r,n){var o=e,a=r,s=n;return n>r?e>r&&(o=r,a=n,s=e):e>n&&(o=n,a=e,s=r),0>o?-1:(t[0]=o,t[1]=a,t[2]=s,l.eq(this.cells,t,i))}}()},{\"binary-search-bounds\":68}],66:[function(t,e,r){\"use strict\";function n(t,e,r,n,i){this.a=t,this.b=e,this.idx=r,this.lowerIds=n,this.upperIds=i}function i(t,e,r,n){this.a=t,this.b=e,this.type=r,this.idx=n}function o(t,e){var r=t.a[0]-e.a[0]||t.a[1]-e.a[1]||t.type-e.type;return r?r:t.type!==p&&(r=d(t.a,t.b,e.b))?r:t.idx-e.idx}function a(t,e){return d(t.a,t.b,e)}function s(t,e,r,n,i){for(var o=f.lt(e,n,a),s=f.gt(e,n,a),l=o;s>l;++l){for(var u=e[l],c=u.lowerIds,h=c.length;h>1&&d(r[c[h-2]],r[c[h-1]],n)>0;)t.push([c[h-1],c[h-2],i]),h-=1;c.length=h,c.push(i);for(var p=u.upperIds,h=p.length;h>1&&d(r[p[h-2]],r[p[h-1]],n)<0;)t.push([p[h-2],p[h-1],i]),h-=1;p.length=h,p.push(i)}}function l(t,e){var r;return(r=t.a[0]<e.a[0]?d(t.a,t.b,e.a):d(e.b,e.a,t.a))?r:(r=e.b[0]<t.b[0]?d(t.a,t.b,e.b):d(e.b,e.a,t.b),r||t.idx-e.idx)}function u(t,e,r){var i=f.le(t,r,l),o=t[i],a=o.upperIds,s=a[a.length-1];o.upperIds=[s],t.splice(i+1,0,new n(r.a,r.b,r.idx,[s],a))}function c(t,e,r){var n=r.a;r.a=r.b,r.b=n;var i=f.eq(t,r,l),o=t[i],a=t[i-1];a.upperIds=o.upperIds,t.splice(i,1)}function h(t,e){for(var r=t.length,a=e.length,l=[],h=0;r>h;++h)l.push(new i(t[h],null,p,h));for(var h=0;a>h;++h){var f=e[h],d=t[f[0]],g=t[f[1]];d[0]<g[0]?l.push(new i(d,g,m,h),new i(g,d,v,h)):d[0]>g[0]&&l.push(new i(g,d,m,h),new i(d,g,v,h))}l.sort(o);for(var y=l[0].a[0]-(1+Math.abs(l[0].a[0]))*Math.pow(2,-52),b=[new n([y,1],[y,0],-1,[],[],[],[])],x=[],h=0,_=l.length;_>h;++h){var w=l[h],M=w.type;M===p?s(x,b,t,w.a,w.idx):M===m?u(b,t,w):c(b,t,w)}return x}var f=t(\"binary-search-bounds\"),d=t(\"robust-orientation\")[3],p=0,v=1,m=2;e.exports=h},{\"binary-search-bounds\":68,\"robust-orientation\":439}],67:[function(t,e,r){\"use strict\";function n(t,e){this.stars=t,this.edges=e}function i(t,e,r){for(var n=1,i=t.length;i>n;n+=2)if(t[n-1]===e&&t[n]===r)return t[n-1]=t[i-2],t[n]=t[i-1],void(t.length=i-2)}function o(t,e){for(var r=new Array(t),i=0;t>i;++i)r[i]=[];return new n(r,e)}var a=t(\"binary-search-bounds\");e.exports=o;var s=n.prototype;s.isConstraint=function(){function t(t,e){return t[0]-e[0]||t[1]-e[1]}var e=[0,0];return function(r,n){return e[0]=Math.min(r,n),e[1]=Math.max(r,n),a.eq(this.edges,e,t)>=0}}(),s.removeTriangle=function(t,e,r){var n=this.stars;i(n[t],e,r),i(n[e],r,t),i(n[r],t,e)},s.addTriangle=function(t,e,r){var n=this.stars;n[t].push(e,r),n[e].push(r,t),n[r].push(t,e)},s.opposite=function(t,e){for(var r=this.stars[e],n=1,i=r.length;i>n;n+=2)if(r[n]===t)return r[n-1];return-1},s.flip=function(t,e){var r=this.opposite(t,e),n=this.opposite(e,t);this.removeTriangle(t,e,r),this.removeTriangle(e,t,n),this.addTriangle(t,n,r),this.addTriangle(e,r,n)},s.edges=function(){for(var t=this.stars,e=[],r=0,n=t.length;n>r;++r)for(var i=t[r],o=0,a=i.length;a>o;o+=2)e.push([i[o],i[o+1]]);return e},s.cells=function(){for(var t=this.stars,e=[],r=0,n=t.length;n>r;++r)for(var i=t[r],o=0,a=i.length;a>o;o+=2){var s=i[o],l=i[o+1];r<Math.min(s,l)&&e.push([r,s,l])}return e}},{\"binary-search-bounds\":68}],68:[function(t,e,r){\"use strict\";function n(t,e,r,n,i){var o=[\"function \",t,\"(a,l,h,\",n.join(\",\"),\"){\",i?\"\":\"var i=\",r?\"l-1\":\"h+1\",\";while(l<=h){var m=(l+h)>>>1,x=a[m]\"];return i?e.indexOf(\"c\")<0?o.push(\";if(x===y){return m}else if(x<=y){\"):o.push(\";var p=c(x,y);if(p===0){return m}else if(p<=0){\"):o.push(\";if(\",e,\"){i=m;\"),r?o.push(\"l=m+1}else{h=m-1}\"):o.push(\"h=m-1}else{l=m+1}\"),o.push(\"}\"),i?o.push(\"return -1};\"):o.push(\"return i};\"),o.join(\"\")}function i(t,e,r,i){var o=new Function([n(\"A\",\"x\"+t+\"y\",e,[\"y\"],i),n(\"P\",\"c(x,y)\"+t+\"0\",e,[\"y\",\"c\"],i),\"function dispatchBsearch\",r,\"(a,y,c,l,h){if(typeof(c)==='function'){return P(a,(l===void 0)?0:l|0,(h===void 0)?a.length-1:h|0,y,c)}else{return A(a,(c===void 0)?0:c|0,(l===void 0)?a.length-1:l|0,y)}}return dispatchBsearch\",r].join(\"\"));return o()}e.exports={ge:i(\">=\",!1,\"GE\"),gt:i(\">\",!1,\"GT\"),lt:i(\"<\",!0,\"LT\"),le:i(\"<=\",!0,\"LE\"),eq:i(\"-\",!0,\"EQ\",!0)}},{}],69:[function(t,e,r){\"use strict\";function n(t,e){for(var r=new Array(t.length-1),n=1;n<t.length;++n)for(var i=r[n-1]=new Array(t.length-1),o=0,a=0;o<t.length;++o)o!==e&&(i[a++]=t[n][o]);return r}function i(t){for(var e=new Array(t),r=0;t>r;++r){e[r]=new Array(t);for(var n=0;t>n;++n)e[r][n]=[\"m\",n,\"[\",t-r-2,\"]\"].join(\"\")}return e}function o(t){if(1===t.length)return t[0];if(2===t.length)return[\"sum(\",t[0],\",\",t[1],\")\"].join(\"\");var e=t.length>>1;return[\"sum(\",o(t.slice(0,e)),\",\",o(t.slice(e)),\")\"].join(\"\")}function a(t,e){if(\"m\"===t.charAt(0)){if(\"w\"===e.charAt(0)){var r=t.split(\"[\");return[\"w\",e.substr(1),\"m\",r[0].substr(1)].join(\"\")}return[\"prod(\",t,\",\",e,\")\"].join(\"\")}return a(e,t)}function s(t){return t&!0?\"-\":\"\"}function l(t){if(2===t.length)return[[\"diff(\",a(t[0][0],t[1][1]),\",\",a(t[1][0],t[0][1]),\")\"].join(\"\")];for(var e=[],r=0;r<t.length;++r)e.push([\"scale(\",o(l(n(t,r))),\",\",s(r),t[0][r],\")\"].join(\"\"));return e}function u(t,e){for(var r=[],n=0;e-2>n;++n)r.push([\"prod(m\",t,\"[\",n,\"],m\",t,\"[\",n,\"])\"].join(\"\"));return o(r)}function c(t){for(var e=[],r=[],a=i(t),s=0;t>s;++s)a[0][s]=\"1\",a[t-1][s]=\"w\"+s;for(var s=0;t>s;++s)0===(1&s)?e.push.apply(e,l(n(a,s))):r.push.apply(r,l(n(a,s)));for(var c=o(e),h=o(r),f=\"exactInSphere\"+t,d=[],s=0;t>s;++s)d.push(\"m\"+s);for(var p=[\"function \",f,\"(\",d.join(),\"){\"],s=0;t>s;++s){p.push(\"var w\",s,\"=\",u(s,t),\";\");for(var v=0;t>v;++v)v!==s&&p.push(\"var w\",s,\"m\",v,\"=scale(w\",s,\",m\",v,\"[0]);\")}p.push(\"var p=\",c,\",n=\",h,\",d=diff(p,n);return d[d.length-1];}return \",f);var x=new Function(\"sum\",\"diff\",\"prod\",\"scale\",p.join(\"\"));return x(g,y,m,b)}function h(){return 0}function f(){return 0}function d(){return 0}function p(t){var e=_[t.length];return e||(e=_[t.length]=c(t.length)),e.apply(void 0,t)}function v(){for(;_.length<=x;)_.push(c(_.length));for(var t=[],r=[\"slow\"],n=0;x>=n;++n)t.push(\"a\"+n),r.push(\"o\"+n);for(var i=[\"function testInSphere(\",t.join(),\"){switch(arguments.length){case 0:case 1:return 0;\"],n=2;x>=n;++n)i.push(\"case \",n,\":return o\",n,\"(\",t.slice(0,n).join(),\");\");i.push(\"}var s=new Array(arguments.length);for(var i=0;i<arguments.length;++i){s[i]=arguments[i]};return slow(s);}return testInSphere\"),r.push(i.join(\"\"));var o=Function.apply(void 0,r);e.exports=o.apply(void 0,[p].concat(_));for(var n=0;x>=n;++n)e.exports[n]=_[n]}var m=t(\"two-product\"),g=t(\"robust-sum\"),y=t(\"robust-subtract\"),b=t(\"robust-scale\"),x=6,_=[h,f,d];v()},{\"robust-scale\":440,\"robust-subtract\":441,\"robust-sum\":442,\"two-product\":456}],70:[function(t,e,r){\"use strict\";function n(t){var e=x(t),r=b(y(e),t);return 0>r?[e,w(e,1/0)]:r>0?[w(e,-(1/0)),e]:[e,e]}function i(t,e){for(var r=new Array(e.length),n=0;n<e.length;++n){var i=e[n],o=t[i[0]],a=t[i[1]];r[n]=[Math.min(o[0],a[0]),Math.min(o[1],a[1]),Math.max(o[0],a[0]),Math.max(o[1],a[1])]}return r}function o(t){for(var e=new Array(t.length),r=0;r<t.length;++r){var n=t[r];e[r]=[n[0],n[1],n[0],n[1]]}return e}function a(t,e,r){var n=[];return m(r,function(r,i){var o=e[r],a=e[i];if(o[0]!==a[0]&&o[0]!==a[1]&&o[1]!==a[0]&&o[1]!==a[1]){var s=t[o[0]],l=t[o[1]],u=t[a[0]],c=t[a[1]];g(s,l,u,c)&&n.push([r,i])}}),n}function s(t,e,r,n){var i=[];return m(r,n,function(r,n){var o=e[r];if(o[0]!==n&&o[1]!==n){var a=t[n],s=t[o[0]],l=t[o[1]];g(s,l,a,a)&&i.push([r,n])}}),i}function l(t,e,r,n,i){function o(e){if(e>=t.length)return a[e-t.length];var r=t[e];return[y(r[0]),y(r[1])]}for(var a=[],s=0;s<r.length;++s){var l=r[s],u=l[0],c=l[1],h=e[u],f=e[c],d=M(_(t[h[0]]),_(t[h[1]]),_(t[f[0]]),_(t[f[1]]));if(d){var p=a.length+t.length;a.push(d),n.push([u,p],[c,p])}}n.sort(function(t,e){if(t[0]!==e[0])return t[0]-e[0];var r=o(t[1]),n=o(e[1]);return b(r[0],n[0])||b(r[1],n[1])});for(var s=n.length-1;s>=0;--s){var v=n[s],u=v[0],m=e[u],g=m[0],x=m[1],w=t[g],k=t[x];if((w[0]-k[0]||w[1]-k[1])<0){var A=g;g=x,x=A}m[0]=g;var T,E=m[1]=v[1];for(i&&(T=m[2]);s>0&&n[s-1][0]===u;){var v=n[--s],S=v[1];i?e.push([E,S,T]):e.push([E,S]),E=S}i?e.push([E,x,T]):e.push([E,x])}return a}function u(t,e,r){for(var i=t.length+e.length,o=new v(i),a=r,s=0;s<e.length;++s){var l=e[s],u=n(l[0]),c=n(l[1]);a.push([u[0],c[0],u[1],c[1]]),t.push([x(l[0]),x(l[1])])}m(a,function(t,e){o.link(t,e)});for(var h=0,f=!0,d=new Array(i),s=0;i>s;++s){var p=o.find(s);p===s?(d[s]=h,t[h++]=t[s]):(f=!1,d[s]=-1)}if(t.length=h,f)return null;for(var s=0;i>s;++s)d[s]<0&&(d[s]=d[o.find(s)]);return d}function c(t,e){return t[0]-e[0]||t[1]-e[1]}function h(t,e){var r=t[0]-e[0]||t[1]-e[1];return r?r:t[2]<e[2]?-1:t[2]>e[2]?1:0}function f(t,e,r){if(0!==t.length){if(e)for(var n=0;n<t.length;++n){var i=t[n],o=e[i[0]],a=e[i[1]];i[0]=Math.min(o,a),i[1]=Math.max(o,a)}else for(var n=0;n<t.length;++n){var i=t[n],o=i[0],a=i[1];i[0]=Math.min(o,a),i[1]=Math.max(o,a)}r?t.sort(h):t.sort(c);for(var s=1,n=1;n<t.length;++n){var l=t[n-1],u=t[n];(u[0]!==l[0]||u[1]!==l[1]||r&&u[2]!==l[2])&&(t[s++]=u)}t.length=s}}function d(t,e,r){var n=i(t,e),c=a(t,e,n),h=o(t),d=s(t,e,n,h),p=l(t,e,c,d,r),v=u(t,p,h);return f(e,v,r),v?!0:c.length>0||d.length>0}function p(t,e,r){var n,i=!1;if(r){n=e;for(var o=new Array(e.length),a=0;a<e.length;++a){var s=e[a];o[a]=[s[0],s[1],r[a]]}e=o}for(;d(t,e,!!r);)i=!0;if(r&&i){n.length=0,r.length=0;for(var a=0;a<e.length;++a){var s=e[a];n.push([s[0],s[1]]),r.push(s[2])}}return i}e.exports=p;var v=t(\"union-find\"),m=t(\"box-intersect\"),g=(t(\"compare-cell\"),t(\"robust-segment-intersect\")),y=t(\"big-rat\"),b=t(\"big-rat/cmp\"),x=t(\"big-rat/to-float\"),_=t(\"rat-vec\"),w=t(\"nextafter\"),M=t(\"./lib/rat-seg-intersect\");\n},{\"./lib/rat-seg-intersect\":71,\"big-rat\":75,\"big-rat/cmp\":73,\"big-rat/to-float\":88,\"box-intersect\":89,\"compare-cell\":107,nextafter:97,\"rat-vec\":99,\"robust-segment-intersect\":102,\"union-find\":103}],71:[function(t,e,r){\"use strict\";function n(t,e){return s(o(t[0],e[1]),o(t[1],e[0]))}function i(t,e,r,i){var o=u(e,t),s=u(i,r),f=n(o,s);if(0===l(f))return null;var d=u(t,r),p=n(s,d),v=a(p,f);return c(t,h(o,v))}e.exports=i;var o=t(\"big-rat/mul\"),a=t(\"big-rat/div\"),s=t(\"big-rat/sub\"),l=t(\"big-rat/sign\"),u=t(\"rat-vec/sub\"),c=t(\"rat-vec/add\"),h=t(\"rat-vec/muls\");t(\"big-rat/to-float\")},{\"big-rat/div\":74,\"big-rat/mul\":84,\"big-rat/sign\":86,\"big-rat/sub\":87,\"big-rat/to-float\":88,\"rat-vec/add\":98,\"rat-vec/muls\":100,\"rat-vec/sub\":101}],72:[function(t,e,r){\"use strict\";function n(t,e){return i(t[0].mul(e[1]).add(e[0].mul(t[1])),t[1].mul(e[1]))}var i=t(\"./lib/rationalize\");e.exports=n},{\"./lib/rationalize\":82}],73:[function(t,e,r){\"use strict\";function n(t,e){return t[0].mul(e[1]).cmp(e[0].mul(t[1]))}e.exports=n},{}],74:[function(t,e,r){\"use strict\";function n(t,e){return i(t[0].mul(e[1]),t[1].mul(e[0]))}var i=t(\"./lib/rationalize\");e.exports=n},{\"./lib/rationalize\":82}],75:[function(t,e,r){\"use strict\";function n(t,e){if(i(t))return e?u(t,n(e)):[t[0].clone(),t[1].clone()];var r,c,h=0;if(o(t))r=t.clone();else if(\"string\"==typeof t)r=s(t);else{if(0===t)return[a(0),a(1)];if(t===Math.floor(t))r=a(t);else{for(;t!==Math.floor(t);)t*=Math.pow(2,256),h-=256;r=a(t)}}if(i(e))r.mul(e[1]),c=e[0].clone();else if(o(e))c=e.clone();else if(\"string\"==typeof e)c=s(e);else if(e)if(e===Math.floor(e))c=a(e);else{for(;e!==Math.floor(e);)e*=Math.pow(2,256),h+=256;c=a(e)}else c=a(1);return h>0?r=r.shln(h):0>h&&(c=c.shln(-h)),l(r,c)}var i=t(\"./is-rat\"),o=t(\"./lib/is-bn\"),a=t(\"./lib/num-to-bn\"),s=t(\"./lib/str-to-bn\"),l=t(\"./lib/rationalize\"),u=t(\"./div\");e.exports=n},{\"./div\":74,\"./is-rat\":76,\"./lib/is-bn\":80,\"./lib/num-to-bn\":81,\"./lib/rationalize\":82,\"./lib/str-to-bn\":83}],76:[function(t,e,r){\"use strict\";function n(t){return Array.isArray(t)&&2===t.length&&i(t[0])&&i(t[1])}var i=t(\"./lib/is-bn\");e.exports=n},{\"./lib/is-bn\":80}],77:[function(t,e,r){\"use strict\";function n(t){return t.cmp(new i(0))}var i=t(\"bn.js\");e.exports=n},{\"bn.js\":85}],78:[function(t,e,r){\"use strict\";function n(t){var e=t.length,r=t.words,n=0;if(1===e)n=r[0];else if(2===e)n=r[0]+67108864*r[1];else for(var n=0,i=0;e>i;i++){var o=r[i];n+=o*Math.pow(67108864,i)}return t.sign?-n:n}e.exports=n},{}],79:[function(t,e,r){\"use strict\";function n(t){var e=o(i.lo(t));if(32>e)return e;var r=o(i.hi(t));return r>20?52:r+32}var i=t(\"double-bits\"),o=t(\"bit-twiddle\").countTrailingZeros;e.exports=n},{\"bit-twiddle\":51,\"double-bits\":96}],80:[function(t,e,r){\"use strict\";function n(t){return t&&\"object\"==typeof t&&Boolean(t.words)}t(\"bn.js\");e.exports=n},{\"bn.js\":85}],81:[function(t,e,r){\"use strict\";function n(t){var e=o.exponent(t);return 52>e?new i(t):new i(t*Math.pow(2,52-e)).shln(e-52)}var i=t(\"bn.js\"),o=t(\"double-bits\");e.exports=n},{\"bn.js\":85,\"double-bits\":96}],82:[function(t,e,r){\"use strict\";function n(t,e){var r=o(t),n=o(e);if(0===r)return[i(0),i(1)];if(0===n)return[i(0),i(0)];0>n&&(t=t.neg(),e=e.neg());var a=t.gcd(e);return a.cmpn(1)?[t.div(a),e.div(a)]:[t,e]}var i=t(\"./num-to-bn\"),o=t(\"./bn-sign\");e.exports=n},{\"./bn-sign\":77,\"./num-to-bn\":81}],83:[function(t,e,r){\"use strict\";function n(t){return new i(t)}var i=t(\"bn.js\");e.exports=n},{\"bn.js\":85}],84:[function(t,e,r){\"use strict\";function n(t,e){return i(t[0].mul(e[0]),t[1].mul(e[1]))}var i=t(\"./lib/rationalize\");e.exports=n},{\"./lib/rationalize\":82}],85:[function(t,e,r){!function(t,e){\"use strict\";function r(t,e){if(!t)throw new Error(e||\"Assertion failed\")}function n(t,e){t.super_=e;var r=function(){};r.prototype=e.prototype,t.prototype=new r,t.prototype.constructor=t}function i(t,e,r){return null!==t&&\"object\"==typeof t&&Array.isArray(t.words)?t:(this.sign=!1,this.words=null,this.length=0,this.red=null,\"le\"!==e&&\"be\"!==e||(r=e,e=10),void(null!==t&&this._init(t||0,e||10,r||\"be\")))}function o(t,e,r){for(var n=0,i=Math.min(t.length,r),o=e;i>o;o++){var a=t.charCodeAt(o)-48;n<<=4,n|=a>=49&&54>=a?a-49+10:a>=17&&22>=a?a-17+10:15&a}return n}function a(t,e,r,n){for(var i=0,o=Math.min(t.length,r),a=e;o>a;a++){var s=t.charCodeAt(a)-48;i*=n,i+=s>=49?s-49+10:s>=17?s-17+10:s}return i}function s(t,e){this.name=t,this.p=new i(e,16),this.n=this.p.bitLength(),this.k=new i(1).ishln(this.n).isub(this.p),this.tmp=this._tmp()}function l(){s.call(this,\"k256\",\"ffffffff ffffffff ffffffff ffffffff ffffffff ffffffff fffffffe fffffc2f\")}function u(){s.call(this,\"p224\",\"ffffffff ffffffff ffffffff ffffffff 00000000 00000000 00000001\")}function c(){s.call(this,\"p192\",\"ffffffff ffffffff ffffffff fffffffe ffffffff ffffffff\")}function h(){s.call(this,\"25519\",\"7fffffffffffffff ffffffffffffffff ffffffffffffffff ffffffffffffffed\")}function f(t){if(\"string\"==typeof t){var e=i._prime(t);this.m=e.p,this.prime=e}else this.m=t,this.prime=null}function d(t){f.call(this,t),this.shift=this.m.bitLength(),this.shift%26!==0&&(this.shift+=26-this.shift%26),this.r=new i(1).ishln(this.shift),this.r2=this.imod(this.r.sqr()),this.rinv=this.r._invmp(this.m),this.minv=this.rinv.mul(this.r).isubn(1).div(this.m),this.minv.sign=!0,this.minv=this.minv.mod(this.r)}\"object\"==typeof t?t.exports=i:e.BN=i,i.BN=i,i.wordSize=26,i.prototype._init=function(t,e,n){if(\"number\"==typeof t)return this._initNumber(t,e,n);if(\"object\"==typeof t)return this._initArray(t,e,n);\"hex\"===e&&(e=16),r(e===(0|e)&&e>=2&&36>=e),t=t.toString().replace(/\\s+/g,\"\");var i=0;\"-\"===t[0]&&i++,16===e?this._parseHex(t,i):this._parseBase(t,e,i),\"-\"===t[0]&&(this.sign=!0),this.strip(),\"le\"===n&&this._initArray(this.toArray(),e,n)},i.prototype._initNumber=function(t,e,n){0>t&&(this.sign=!0,t=-t),67108864>t?(this.words=[67108863&t],this.length=1):4503599627370496>t?(this.words=[67108863&t,t/67108864&67108863],this.length=2):(r(9007199254740992>t),this.words=[67108863&t,t/67108864&67108863,1],this.length=3),\"le\"===n&&this._initArray(this.toArray(),e,n)},i.prototype._initArray=function(t,e,n){if(r(\"number\"==typeof t.length),t.length<=0)return this.words=[0],this.length=1,this;this.length=Math.ceil(t.length/3),this.words=new Array(this.length);for(var i=0;i<this.length;i++)this.words[i]=0;var o=0;if(\"be\"===n)for(var i=t.length-1,a=0;i>=0;i-=3){var s=t[i]|t[i-1]<<8|t[i-2]<<16;this.words[a]|=s<<o&67108863,this.words[a+1]=s>>>26-o&67108863,o+=24,o>=26&&(o-=26,a++)}else if(\"le\"===n)for(var i=0,a=0;i<t.length;i+=3){var s=t[i]|t[i+1]<<8|t[i+2]<<16;this.words[a]|=s<<o&67108863,this.words[a+1]=s>>>26-o&67108863,o+=24,o>=26&&(o-=26,a++)}return this.strip()},i.prototype._parseHex=function(t,e){this.length=Math.ceil((t.length-e)/6),this.words=new Array(this.length);for(var r=0;r<this.length;r++)this.words[r]=0;for(var n=0,r=t.length-6,i=0;r>=e;r-=6){var a=o(t,r,r+6);this.words[i]|=a<<n&67108863,this.words[i+1]|=a>>>26-n&4194303,n+=24,n>=26&&(n-=26,i++)}if(r+6!==e){var a=o(t,e,r+6);this.words[i]|=a<<n&67108863,this.words[i+1]|=a>>>26-n&4194303}this.strip()},i.prototype._parseBase=function(t,e,r){this.words=[0],this.length=1;for(var n=0,i=1;67108863>=i;i*=e)n++;n--,i=i/e|0;for(var o=t.length-r,s=o%n,l=Math.min(o,o-s)+r,u=0,c=r;l>c;c+=n)u=a(t,c,c+n,e),this.imuln(i),this.words[0]+u<67108864?this.words[0]+=u:this._iaddn(u);if(0!==s){for(var h=1,u=a(t,c,t.length,e),c=0;s>c;c++)h*=e;this.imuln(h),this.words[0]+u<67108864?this.words[0]+=u:this._iaddn(u)}},i.prototype.copy=function(t){t.words=new Array(this.length);for(var e=0;e<this.length;e++)t.words[e]=this.words[e];t.length=this.length,t.sign=this.sign,t.red=this.red},i.prototype.clone=function(){var t=new i(null);return this.copy(t),t},i.prototype.strip=function(){for(;this.length>1&&0===this.words[this.length-1];)this.length--;return this._normSign()},i.prototype._normSign=function(){return 1===this.length&&0===this.words[0]&&(this.sign=!1),this},i.prototype.inspect=function(){return(this.red?\"<BN-R: \":\"<BN: \")+this.toString(16)+\">\"};var p=[\"\",\"0\",\"00\",\"000\",\"0000\",\"00000\",\"000000\",\"0000000\",\"00000000\",\"000000000\",\"0000000000\",\"00000000000\",\"000000000000\",\"0000000000000\",\"00000000000000\",\"000000000000000\",\"0000000000000000\",\"00000000000000000\",\"000000000000000000\",\"0000000000000000000\",\"00000000000000000000\",\"000000000000000000000\",\"0000000000000000000000\",\"00000000000000000000000\",\"000000000000000000000000\",\"0000000000000000000000000\"],v=[0,0,25,16,12,11,10,9,8,8,7,7,7,7,6,6,6,6,6,6,6,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5],m=[0,0,33554432,43046721,16777216,48828125,60466176,40353607,16777216,43046721,1e7,19487171,35831808,62748517,7529536,11390625,16777216,24137569,34012224,47045881,64e6,4084101,5153632,6436343,7962624,9765625,11881376,14348907,17210368,20511149,243e5,28629151,33554432,39135393,45435424,52521875,60466176];i.prototype.toString=function(t,e){if(t=t||10,16===t||\"hex\"===t){for(var n=\"\",i=0,e=0|e||1,o=0,a=0;a<this.length;a++){var s=this.words[a],l=(16777215&(s<<i|o)).toString(16);o=s>>>24-i&16777215,n=0!==o||a!==this.length-1?p[6-l.length]+l+n:l+n,i+=2,i>=26&&(i-=26,a--)}for(0!==o&&(n=o.toString(16)+n);n.length%e!==0;)n=\"0\"+n;return this.sign&&(n=\"-\"+n),n}if(t===(0|t)&&t>=2&&36>=t){var u=v[t],c=m[t],n=\"\",h=this.clone();for(h.sign=!1;0!==h.cmpn(0);){var f=h.modn(c).toString(t);h=h.idivn(c),n=0!==h.cmpn(0)?p[u-f.length]+f+n:f+n}return 0===this.cmpn(0)&&(n=\"0\"+n),this.sign&&(n=\"-\"+n),n}r(!1,\"Base should be between 2 and 36\")},i.prototype.toJSON=function(){return this.toString(16)},i.prototype.toArray=function(t){this.strip();var e=new Array(this.byteLength());e[0]=0;var r=this.clone();if(\"le\"!==t)for(var n=0;0!==r.cmpn(0);n++){var i=r.andln(255);r.ishrn(8),e[e.length-n-1]=i}else for(var n=0;0!==r.cmpn(0);n++){var i=r.andln(255);r.ishrn(8),e[n]=i}return e},Math.clz32?i.prototype._countBits=function(t){return 32-Math.clz32(t)}:i.prototype._countBits=function(t){var e=t,r=0;return e>=4096&&(r+=13,e>>>=13),e>=64&&(r+=7,e>>>=7),e>=8&&(r+=4,e>>>=4),e>=2&&(r+=2,e>>>=2),r+e},i.prototype._zeroBits=function(t){if(0===t)return 26;var e=t,r=0;return 0===(8191&e)&&(r+=13,e>>>=13),0===(127&e)&&(r+=7,e>>>=7),0===(15&e)&&(r+=4,e>>>=4),0===(3&e)&&(r+=2,e>>>=2),0===(1&e)&&r++,r},i.prototype.bitLength=function(){var t=0,e=this.words[this.length-1],t=this._countBits(e);return 26*(this.length-1)+t},i.prototype.zeroBits=function(){if(0===this.cmpn(0))return 0;for(var t=0,e=0;e<this.length;e++){var r=this._zeroBits(this.words[e]);if(t+=r,26!==r)break}return t},i.prototype.byteLength=function(){return Math.ceil(this.bitLength()/8)},i.prototype.neg=function(){if(0===this.cmpn(0))return this.clone();var t=this.clone();return t.sign=!this.sign,t},i.prototype.ior=function(t){for(this.sign=this.sign||t.sign;this.length<t.length;)this.words[this.length++]=0;for(var e=0;e<t.length;e++)this.words[e]=this.words[e]|t.words[e];return this.strip()},i.prototype.or=function(t){return this.length>t.length?this.clone().ior(t):t.clone().ior(this)},i.prototype.iand=function(t){this.sign=this.sign&&t.sign;var e;e=this.length>t.length?t:this;for(var r=0;r<e.length;r++)this.words[r]=this.words[r]&t.words[r];return this.length=e.length,this.strip()},i.prototype.and=function(t){return this.length>t.length?this.clone().iand(t):t.clone().iand(this)},i.prototype.ixor=function(t){this.sign=this.sign||t.sign;var e,r;this.length>t.length?(e=this,r=t):(e=t,r=this);for(var n=0;n<r.length;n++)this.words[n]=e.words[n]^r.words[n];if(this!==e)for(;n<e.length;n++)this.words[n]=e.words[n];return this.length=e.length,this.strip()},i.prototype.xor=function(t){return this.length>t.length?this.clone().ixor(t):t.clone().ixor(this)},i.prototype.setn=function(t,e){r(\"number\"==typeof t&&t>=0);for(var n=t/26|0,i=t%26;this.length<=n;)this.words[this.length++]=0;return e?this.words[n]=this.words[n]|1<<i:this.words[n]=this.words[n]&~(1<<i),this.strip()},i.prototype.iadd=function(t){if(this.sign&&!t.sign){this.sign=!1;var e=this.isub(t);return this.sign=!this.sign,this._normSign()}if(!this.sign&&t.sign){t.sign=!1;var e=this.isub(t);return t.sign=!0,e._normSign()}var r,n;this.length>t.length?(r=this,n=t):(r=t,n=this);for(var i=0,o=0;o<n.length;o++){var e=r.words[o]+n.words[o]+i;this.words[o]=67108863&e,i=e>>>26}for(;0!==i&&o<r.length;o++){var e=r.words[o]+i;this.words[o]=67108863&e,i=e>>>26}if(this.length=r.length,0!==i)this.words[this.length]=i,this.length++;else if(r!==this)for(;o<r.length;o++)this.words[o]=r.words[o];return this},i.prototype.add=function(t){if(t.sign&&!this.sign){t.sign=!1;var e=this.sub(t);return t.sign=!0,e}if(!t.sign&&this.sign){this.sign=!1;var e=t.sub(this);return this.sign=!0,e}return this.length>t.length?this.clone().iadd(t):t.clone().iadd(this)},i.prototype.isub=function(t){if(t.sign){t.sign=!1;var e=this.iadd(t);return t.sign=!0,e._normSign()}if(this.sign)return this.sign=!1,this.iadd(t),this.sign=!0,this._normSign();var r=this.cmp(t);if(0===r)return this.sign=!1,this.length=1,this.words[0]=0,this;var n,i;r>0?(n=this,i=t):(n=t,i=this);for(var o=0,a=0;a<i.length;a++){var e=n.words[a]-i.words[a]+o;o=e>>26,this.words[a]=67108863&e}for(;0!==o&&a<n.length;a++){var e=n.words[a]+o;o=e>>26,this.words[a]=67108863&e}if(0===o&&a<n.length&&n!==this)for(;a<n.length;a++)this.words[a]=n.words[a];return this.length=Math.max(this.length,a),n!==this&&(this.sign=!0),this.strip()},i.prototype.sub=function(t){return this.clone().isub(t)},i.prototype._smallMulTo=function(t,e){e.sign=t.sign!==this.sign,e.length=this.length+t.length;for(var r=0,n=0;n<e.length-1;n++){for(var i=r>>>26,o=67108863&r,a=Math.min(n,t.length-1),s=Math.max(0,n-this.length+1);a>=s;s++){var l=n-s,u=0|this.words[l],c=0|t.words[s],h=u*c,f=67108863&h;i=i+(h/67108864|0)|0,f=f+o|0,o=67108863&f,i=i+(f>>>26)|0}e.words[n]=o,r=i}return 0!==r?e.words[n]=r:e.length--,e.strip()},i.prototype._bigMulTo=function(t,e){e.sign=t.sign!==this.sign,e.length=this.length+t.length;for(var r=0,n=0,i=0;i<e.length-1;i++){var o=n;n=0;for(var a=67108863&r,s=Math.min(i,t.length-1),l=Math.max(0,i-this.length+1);s>=l;l++){var u=i-l,c=0|this.words[u],h=0|t.words[l],f=c*h,d=67108863&f;o=o+(f/67108864|0)|0,d=d+a|0,a=67108863&d,o=o+(d>>>26)|0,n+=o>>>26,o&=67108863}e.words[i]=a,r=o,o=n}return 0!==r?e.words[i]=r:e.length--,e.strip()},i.prototype.mulTo=function(t,e){var r;return r=this.length+t.length<63?this._smallMulTo(t,e):this._bigMulTo(t,e)},i.prototype.mul=function(t){var e=new i(null);return e.words=new Array(this.length+t.length),this.mulTo(t,e)},i.prototype.imul=function(t){if(0===this.cmpn(0)||0===t.cmpn(0))return this.words[0]=0,this.length=1,this;var e=this.length,r=t.length;this.sign=t.sign!==this.sign,this.length=this.length+t.length,this.words[this.length-1]=0;for(var n=this.length-2;n>=0;n--){for(var i=0,o=0,a=Math.min(n,r-1),s=Math.max(0,n-e+1);a>=s;s++){var l=n-s,u=this.words[l],c=t.words[s],h=u*c,f=67108863&h;i+=h/67108864|0,f+=o,o=67108863&f,i+=f>>>26}this.words[n]=o,this.words[n+1]+=i,i=0}for(var i=0,l=1;l<this.length;l++){var d=this.words[l]+i;this.words[l]=67108863&d,i=d>>>26}return this.strip()},i.prototype.imuln=function(t){r(\"number\"==typeof t);for(var e=0,n=0;n<this.length;n++){var i=this.words[n]*t,o=(67108863&i)+(67108863&e);e>>=26,e+=i/67108864|0,e+=o>>>26,this.words[n]=67108863&o}return 0!==e&&(this.words[n]=e,this.length++),this},i.prototype.muln=function(t){return this.clone().imuln(t)},i.prototype.sqr=function(){return this.mul(this)},i.prototype.isqr=function(){return this.mul(this)},i.prototype.ishln=function(t){r(\"number\"==typeof t&&t>=0);var e=t%26,n=(t-e)/26,i=67108863>>>26-e<<26-e;if(0!==e){for(var o=0,a=0;a<this.length;a++){var s=this.words[a]&i,l=this.words[a]-s<<e;this.words[a]=l|o,o=s>>>26-e}o&&(this.words[a]=o,this.length++)}if(0!==n){for(var a=this.length-1;a>=0;a--)this.words[a+n]=this.words[a];for(var a=0;n>a;a++)this.words[a]=0;this.length+=n}return this.strip()},i.prototype.ishrn=function(t,e,n){r(\"number\"==typeof t&&t>=0);var i;i=e?(e-e%26)/26:0;var o=t%26,a=Math.min((t-o)/26,this.length),s=67108863^67108863>>>o<<o,l=n;if(i-=a,i=Math.max(0,i),l){for(var u=0;a>u;u++)l.words[u]=this.words[u];l.length=a}if(0===a);else if(this.length>a){this.length-=a;for(var u=0;u<this.length;u++)this.words[u]=this.words[u+a]}else this.words[0]=0,this.length=1;for(var c=0,u=this.length-1;u>=0&&(0!==c||u>=i);u--){var h=this.words[u];this.words[u]=c<<26-o|h>>>o,c=h&s}return l&&0!==c&&(l.words[l.length++]=c),0===this.length&&(this.words[0]=0,this.length=1),this.strip(),this},i.prototype.shln=function(t){return this.clone().ishln(t)},i.prototype.shrn=function(t){return this.clone().ishrn(t)},i.prototype.testn=function(t){r(\"number\"==typeof t&&t>=0);var e=t%26,n=(t-e)/26,i=1<<e;if(this.length<=n)return!1;var o=this.words[n];return!!(o&i)},i.prototype.imaskn=function(t){r(\"number\"==typeof t&&t>=0);var e=t%26,n=(t-e)/26;if(r(!this.sign,\"imaskn works only with positive numbers\"),0!==e&&n++,this.length=Math.min(n,this.length),0!==e){var i=67108863^67108863>>>e<<e;this.words[this.length-1]&=i}return this.strip()},i.prototype.maskn=function(t){return this.clone().imaskn(t)},i.prototype.iaddn=function(t){return r(\"number\"==typeof t),0>t?this.isubn(-t):this.sign?1===this.length&&this.words[0]<t?(this.words[0]=t-this.words[0],this.sign=!1,this):(this.sign=!1,this.isubn(t),this.sign=!0,this):this._iaddn(t)},i.prototype._iaddn=function(t){this.words[0]+=t;for(var e=0;e<this.length&&this.words[e]>=67108864;e++)this.words[e]-=67108864,e===this.length-1?this.words[e+1]=1:this.words[e+1]++;return this.length=Math.max(this.length,e+1),this},i.prototype.isubn=function(t){if(r(\"number\"==typeof t),0>t)return this.iaddn(-t);if(this.sign)return this.sign=!1,this.iaddn(t),this.sign=!0,this;this.words[0]-=t;for(var e=0;e<this.length&&this.words[e]<0;e++)this.words[e]+=67108864,this.words[e+1]-=1;return this.strip()},i.prototype.addn=function(t){return this.clone().iaddn(t)},i.prototype.subn=function(t){return this.clone().isubn(t)},i.prototype.iabs=function(){return this.sign=!1,this},i.prototype.abs=function(){return this.clone().iabs()},i.prototype._ishlnsubmul=function(t,e,n){var i,o=t.length+n;if(this.words.length<o){for(var a=new Array(o),i=0;i<this.length;i++)a[i]=this.words[i];this.words=a}else i=this.length;for(this.length=Math.max(this.length,o);i<this.length;i++)this.words[i]=0;for(var s=0,i=0;i<t.length;i++){var l=this.words[i+n]+s,u=t.words[i]*e;l-=67108863&u,s=(l>>26)-(u/67108864|0),this.words[i+n]=67108863&l}for(;i<this.length-n;i++){var l=this.words[i+n]+s;s=l>>26,this.words[i+n]=67108863&l}if(0===s)return this.strip();r(-1===s),s=0;for(var i=0;i<this.length;i++){var l=-this.words[i]+s;s=l>>26,this.words[i]=67108863&l}return this.sign=!0,this.strip()},i.prototype._wordDiv=function(t,e){var r=this.length-t.length,n=this.clone(),o=t,a=o.words[o.length-1],s=this._countBits(a);r=26-s,0!==r&&(o=o.shln(r),n.ishln(r),a=o.words[o.length-1]);var l,u=n.length-o.length;if(\"mod\"!==e){l=new i(null),l.length=u+1,l.words=new Array(l.length);for(var c=0;c<l.length;c++)l.words[c]=0}var h=n.clone()._ishlnsubmul(o,1,u);h.sign||(n=h,l&&(l.words[u]=1));for(var f=u-1;f>=0;f--){var d=67108864*n.words[o.length+f]+n.words[o.length+f-1];for(d=Math.min(d/a|0,67108863),n._ishlnsubmul(o,d,f);n.sign;)d--,n.sign=!1,n._ishlnsubmul(o,1,f),0!==n.cmpn(0)&&(n.sign=!n.sign);l&&(l.words[f]=d)}return l&&l.strip(),n.strip(),\"div\"!==e&&0!==r&&n.ishrn(r),{div:l?l:null,mod:n}},i.prototype.divmod=function(t,e){if(r(0!==t.cmpn(0)),this.sign&&!t.sign){var n,o,a=this.neg().divmod(t,e);return\"mod\"!==e&&(n=a.div.neg()),\"div\"!==e&&(o=0===a.mod.cmpn(0)?a.mod:t.sub(a.mod)),{div:n,mod:o}}if(!this.sign&&t.sign){var n,a=this.divmod(t.neg(),e);return\"mod\"!==e&&(n=a.div.neg()),{div:n,mod:a.mod}}return this.sign&&t.sign?this.neg().divmod(t.neg(),e):t.length>this.length||this.cmp(t)<0?{div:new i(0),mod:this}:1===t.length?\"div\"===e?{div:this.divn(t.words[0]),mod:null}:\"mod\"===e?{div:null,mod:new i(this.modn(t.words[0]))}:{div:this.divn(t.words[0]),mod:new i(this.modn(t.words[0]))}:this._wordDiv(t,e)},i.prototype.div=function(t){return this.divmod(t,\"div\").div},i.prototype.mod=function(t){return this.divmod(t,\"mod\").mod},i.prototype.divRound=function(t){var e=this.divmod(t);if(0===e.mod.cmpn(0))return e.div;var r=e.div.sign?e.mod.isub(t):e.mod,n=t.shrn(1),i=t.andln(1),o=r.cmp(n);return 0>o||1===i&&0===o?e.div:e.div.sign?e.div.isubn(1):e.div.iaddn(1)},i.prototype.modn=function(t){r(67108863>=t);for(var e=(1<<26)%t,n=0,i=this.length-1;i>=0;i--)n=(e*n+this.words[i])%t;return n},i.prototype.idivn=function(t){r(67108863>=t);for(var e=0,n=this.length-1;n>=0;n--){var i=this.words[n]+67108864*e;this.words[n]=i/t|0,e=i%t}return this.strip()},i.prototype.divn=function(t){return this.clone().idivn(t)},i.prototype.egcd=function(t){r(!t.sign),r(0!==t.cmpn(0));var e=this,n=t.clone();e=e.sign?e.mod(t):e.clone();for(var o=new i(1),a=new i(0),s=new i(0),l=new i(1),u=0;e.isEven()&&n.isEven();)e.ishrn(1),n.ishrn(1),++u;for(var c=n.clone(),h=e.clone();0!==e.cmpn(0);){for(;e.isEven();)e.ishrn(1),o.isEven()&&a.isEven()?(o.ishrn(1),a.ishrn(1)):(o.iadd(c).ishrn(1),a.isub(h).ishrn(1));for(;n.isEven();)n.ishrn(1),s.isEven()&&l.isEven()?(s.ishrn(1),l.ishrn(1)):(s.iadd(c).ishrn(1),l.isub(h).ishrn(1));e.cmp(n)>=0?(e.isub(n),o.isub(s),a.isub(l)):(n.isub(e),s.isub(o),l.isub(a))}return{a:s,b:l,gcd:n.ishln(u)}},i.prototype._invmp=function(t){r(!t.sign),r(0!==t.cmpn(0));var e=this,n=t.clone();e=e.sign?e.mod(t):e.clone();for(var o=new i(1),a=new i(0),s=n.clone();e.cmpn(1)>0&&n.cmpn(1)>0;){for(;e.isEven();)e.ishrn(1),o.isEven()?o.ishrn(1):o.iadd(s).ishrn(1);for(;n.isEven();)n.ishrn(1),a.isEven()?a.ishrn(1):a.iadd(s).ishrn(1);e.cmp(n)>=0?(e.isub(n),o.isub(a)):(n.isub(e),a.isub(o))}return 0===e.cmpn(1)?o:a},i.prototype.gcd=function(t){if(0===this.cmpn(0))return t.clone();if(0===t.cmpn(0))return this.clone();var e=this.clone(),r=t.clone();e.sign=!1,r.sign=!1;for(var n=0;e.isEven()&&r.isEven();n++)e.ishrn(1),r.ishrn(1);for(;;){for(;e.isEven();)e.ishrn(1);for(;r.isEven();)r.ishrn(1);var i=e.cmp(r);if(0>i){var o=e;e=r,r=o}else if(0===i||0===r.cmpn(1))break;e.isub(r)}return r.ishln(n)},i.prototype.invm=function(t){return this.egcd(t).a.mod(t)},i.prototype.isEven=function(){return 0===(1&this.words[0])},i.prototype.isOdd=function(){return 1===(1&this.words[0])},i.prototype.andln=function(t){return this.words[0]&t},i.prototype.bincn=function(t){r(\"number\"==typeof t);var e=t%26,n=(t-e)/26,i=1<<e;if(this.length<=n){for(var o=this.length;n+1>o;o++)this.words[o]=0;return this.words[n]|=i,this.length=n+1,this}for(var a=i,o=n;0!==a&&o<this.length;o++){var s=this.words[o];s+=a,a=s>>>26,s&=67108863,this.words[o]=s}return 0!==a&&(this.words[o]=a,this.length++),this},i.prototype.cmpn=function(t){var e=0>t;if(e&&(t=-t),this.sign&&!e)return-1;if(!this.sign&&e)return 1;t&=67108863,this.strip();var r;if(this.length>1)r=1;else{var n=this.words[0];r=n===t?0:t>n?-1:1}return this.sign&&(r=-r),r},i.prototype.cmp=function(t){if(this.sign&&!t.sign)return-1;if(!this.sign&&t.sign)return 1;var e=this.ucmp(t);return this.sign?-e:e},i.prototype.ucmp=function(t){if(this.length>t.length)return 1;if(this.length<t.length)return-1;for(var e=0,r=this.length-1;r>=0;r--){var n=this.words[r],i=t.words[r];if(n!==i){i>n?e=-1:n>i&&(e=1);break}}return e},i.red=function(t){return new f(t)},i.prototype.toRed=function(t){return r(!this.red,\"Already a number in reduction context\"),r(!this.sign,\"red works only with positives\"),t.convertTo(this)._forceRed(t)},i.prototype.fromRed=function(){return r(this.red,\"fromRed works only with numbers in reduction context\"),this.red.convertFrom(this)},i.prototype._forceRed=function(t){return this.red=t,this},i.prototype.forceRed=function(t){return r(!this.red,\"Already a number in reduction context\"),this._forceRed(t)},i.prototype.redAdd=function(t){return r(this.red,\"redAdd works only with red numbers\"),this.red.add(this,t)},i.prototype.redIAdd=function(t){return r(this.red,\"redIAdd works only with red numbers\"),this.red.iadd(this,t)},i.prototype.redSub=function(t){return r(this.red,\"redSub works only with red numbers\"),this.red.sub(this,t)},i.prototype.redISub=function(t){return r(this.red,\"redISub works only with red numbers\"),this.red.isub(this,t)},i.prototype.redShl=function(t){return r(this.red,\"redShl works only with red numbers\"),this.red.shl(this,t)},i.prototype.redMul=function(t){return r(this.red,\"redMul works only with red numbers\"),this.red._verify2(this,t),this.red.mul(this,t)},i.prototype.redIMul=function(t){return r(this.red,\"redMul works only with red numbers\"),this.red._verify2(this,t),this.red.imul(this,t)},i.prototype.redSqr=function(){return r(this.red,\"redSqr works only with red numbers\"),this.red._verify1(this),this.red.sqr(this)},i.prototype.redISqr=function(){return r(this.red,\"redISqr works only with red numbers\"),this.red._verify1(this),this.red.isqr(this)},i.prototype.redSqrt=function(){return r(this.red,\"redSqrt works only with red numbers\"),this.red._verify1(this),this.red.sqrt(this)},i.prototype.redInvm=function(){return r(this.red,\"redInvm works only with red numbers\"),this.red._verify1(this),this.red.invm(this)},i.prototype.redNeg=function(){return r(this.red,\"redNeg works only with red numbers\"),this.red._verify1(this),this.red.neg(this)},i.prototype.redPow=function(t){return r(this.red&&!t.red,\"redPow(normalNum)\"),this.red._verify1(this),this.red.pow(this,t)};var g={k256:null,p224:null,p192:null,p25519:null};s.prototype._tmp=function(){var t=new i(null);return t.words=new Array(Math.ceil(this.n/13)),t},s.prototype.ireduce=function(t){var e,r=t;do this.split(r,this.tmp),r=this.imulK(r),r=r.iadd(this.tmp),e=r.bitLength();while(e>this.n);var n=e<this.n?-1:r.ucmp(this.p);return 0===n?(r.words[0]=0,r.length=1):n>0?r.isub(this.p):r.strip(),r},s.prototype.split=function(t,e){t.ishrn(this.n,0,e)},s.prototype.imulK=function(t){return t.imul(this.k)},n(l,s),l.prototype.split=function(t,e){for(var r=4194303,n=Math.min(t.length,9),i=0;n>i;i++)e.words[i]=t.words[i];if(e.length=n,t.length<=9)return t.words[0]=0,void(t.length=1);var o=t.words[9];e.words[e.length++]=o&r;for(var i=10;i<t.length;i++){var a=t.words[i];t.words[i-10]=(a&r)<<4|o>>>22,o=a}t.words[i-10]=o>>>22,t.length-=9},l.prototype.imulK=function(t){t.words[t.length]=0,t.words[t.length+1]=0,t.length+=2;for(var e,r=0,n=0;n<t.length;n++){var i=t.words[n];e=64*i,r+=977*i,e+=r/67108864|0,r&=67108863,t.words[n]=r,r=e}return 0===t.words[t.length-1]&&(t.length--,0===t.words[t.length-1]&&t.length--),t},n(u,s),n(c,s),n(h,s),h.prototype.imulK=function(t){for(var e=0,r=0;r<t.length;r++){var n=19*t.words[r]+e,i=67108863&n;n>>>=26,t.words[r]=i,e=n}return 0!==e&&(t.words[t.length++]=e),t},i._prime=function y(t){if(g[t])return g[t];var y;if(\"k256\"===t)y=new l;else if(\"p224\"===t)y=new u;else if(\"p192\"===t)y=new c;else{if(\"p25519\"!==t)throw new Error(\"Unknown prime \"+t);y=new h}return g[t]=y,y},f.prototype._verify1=function(t){r(!t.sign,\"red works only with positives\"),r(t.red,\"red works only with red numbers\")},f.prototype._verify2=function(t,e){r(!t.sign&&!e.sign,\"red works only with positives\"),r(t.red&&t.red===e.red,\"red works only with red numbers\")},f.prototype.imod=function(t){return this.prime?this.prime.ireduce(t)._forceRed(this):t.mod(this.m)._forceRed(this)},f.prototype.neg=function(t){var e=t.clone();return e.sign=!e.sign,e.iadd(this.m)._forceRed(this)},f.prototype.add=function(t,e){this._verify2(t,e);var r=t.add(e);return r.cmp(this.m)>=0&&r.isub(this.m),r._forceRed(this)},f.prototype.iadd=function(t,e){this._verify2(t,e);var r=t.iadd(e);return r.cmp(this.m)>=0&&r.isub(this.m),r},f.prototype.sub=function(t,e){this._verify2(t,e);var r=t.sub(e);return r.cmpn(0)<0&&r.iadd(this.m),r._forceRed(this)},f.prototype.isub=function(t,e){this._verify2(t,e);var r=t.isub(e);return r.cmpn(0)<0&&r.iadd(this.m),r},f.prototype.shl=function(t,e){return this._verify1(t),this.imod(t.shln(e))},f.prototype.imul=function(t,e){return this._verify2(t,e),this.imod(t.imul(e))},f.prototype.mul=function(t,e){return this._verify2(t,e),this.imod(t.mul(e))},f.prototype.isqr=function(t){return this.imul(t,t)},f.prototype.sqr=function(t){return this.mul(t,t)},f.prototype.sqrt=function(t){if(0===t.cmpn(0))return t.clone();var e=this.m.andln(3);if(r(e%2===1),3===e){var n=this.m.add(new i(1)).ishrn(2),o=this.pow(t,n);return o}for(var a=this.m.subn(1),s=0;0!==a.cmpn(0)&&0===a.andln(1);)s++,a.ishrn(1);r(0!==a.cmpn(0));var l=new i(1).toRed(this),u=l.redNeg(),c=this.m.subn(1).ishrn(1),h=this.m.bitLength();for(h=new i(2*h*h).toRed(this);0!==this.pow(h,c).cmp(u);)h.redIAdd(u);for(var f=this.pow(h,a),o=this.pow(t,a.addn(1).ishrn(1)),d=this.pow(t,a),p=s;0!==d.cmp(l);){for(var v=d,m=0;0!==v.cmp(l);m++)v=v.redSqr();r(p>m);var g=this.pow(f,new i(1).ishln(p-m-1));o=o.redMul(g),f=g.redSqr(),d=d.redMul(f),p=m}return o},f.prototype.invm=function(t){var e=t._invmp(this.m);return e.sign?(e.sign=!1,this.imod(e).redNeg()):this.imod(e)},f.prototype.pow=function(t,e){var r=[];if(0===e.cmpn(0))return new i(1);for(var n=e.clone();0!==n.cmpn(0);)r.push(n.andln(1)),n.ishrn(1);for(var o=t,a=0;a<r.length&&0===r[a];a++,o=this.sqr(o));if(++a<r.length)for(var n=this.sqr(o);a<r.length;a++,n=this.sqr(n))0!==r[a]&&(o=this.mul(o,n));return o},f.prototype.convertTo=function(t){var e=t.mod(this.m);return e===t?e.clone():e},f.prototype.convertFrom=function(t){var e=t.clone();return e.red=null,e},i.mont=function(t){return new d(t)},n(d,f),d.prototype.convertTo=function(t){return this.imod(t.shln(this.shift))},d.prototype.convertFrom=function(t){var e=this.imod(t.mul(this.rinv));return e.red=null,e},d.prototype.imul=function(t,e){if(0===t.cmpn(0)||0===e.cmpn(0))return t.words[0]=0,t.length=1,t;var r=t.imul(e),n=r.maskn(this.shift).mul(this.minv).imaskn(this.shift).mul(this.m),i=r.isub(n).ishrn(this.shift),o=i;return i.cmp(this.m)>=0?o=i.isub(this.m):i.cmpn(0)<0&&(o=i.iadd(this.m)),o._forceRed(this)},d.prototype.mul=function(t,e){if(0===t.cmpn(0)||0===e.cmpn(0))return new i(0)._forceRed(this);var r=t.mul(e),n=r.maskn(this.shift).mul(this.minv).imaskn(this.shift).mul(this.m),o=r.isub(n).ishrn(this.shift),a=o;return o.cmp(this.m)>=0?a=o.isub(this.m):o.cmpn(0)<0&&(a=o.iadd(this.m)),a._forceRed(this)},d.prototype.invm=function(t){var e=this.imod(t._invmp(this.m).mul(this.r2));return e._forceRed(this)}}(\"undefined\"==typeof e||e,this)},{}],86:[function(t,e,r){\"use strict\";function n(t){return i(t[0])*i(t[1])}var i=t(\"./lib/bn-sign\");e.exports=n},{\"./lib/bn-sign\":77}],87:[function(t,e,r){\"use strict\";function n(t,e){return i(t[0].mul(e[1]).sub(t[1].mul(e[0])),t[1].mul(e[1]))}var i=t(\"./lib/rationalize\");e.exports=n},{\"./lib/rationalize\":82}],88:[function(t,e,r){\"use strict\";function n(t){var e=t[0],r=t[1];if(0===e.cmpn(0))return 0;var n=e.divmod(r),a=n.div,s=i(a),l=n.mod;if(0===l.cmpn(0))return s;if(s){var u=o(s)+4,c=i(l.shln(u).divRound(r));return 0>s&&(c=-c),s+c*Math.pow(2,-u)}var h=r.bitLength()-l.bitLength()+53,c=i(l.shln(h).divRound(r));return 1023>h?c*Math.pow(2,-h):(c*=Math.pow(2,-1023),c*Math.pow(2,1023-h))}var i=t(\"./lib/bn-to-num\"),o=t(\"./lib/ctz\");e.exports=n},{\"./lib/bn-to-num\":78,\"./lib/ctz\":79}],89:[function(t,e,r){\"use strict\";function n(t,e){for(var r=0;t>r;++r)if(!(e[r]<=e[r+t]))return!0;return!1}function i(t,e,r,i){for(var o=0,a=0,s=0,l=t.length;l>s;++s){var u=t[s];if(!n(e,u)){for(var c=0;2*e>c;++c)r[o++]=u[c];i[a++]=s}}return a}function o(t,e,r,n){var o=t.length,a=e.length;if(!(0>=o||0>=a)){var s=t[0].length>>>1;if(!(0>=s)){var l,u=h.mallocDouble(2*s*o),c=h.mallocInt32(o);if(o=i(t,s,u,c),o>0){if(1===s&&n)f.init(o),l=f.sweepComplete(s,r,0,o,u,c,0,o,u,c);else{var p=h.mallocDouble(2*s*a),v=h.mallocInt32(a);a=i(e,s,p,v),a>0&&(f.init(o+a),l=1===s?f.sweepBipartite(s,r,0,o,u,c,0,a,p,v):d(s,r,n,o,u,c,a,p,v),h.free(p),h.free(v))}h.free(u),h.free(c)}return l}}}function a(t,e){c.push([t,e])}function s(t){return c=[],o(t,t,a,!0),c}function l(t,e){return c=[],o(t,e,a,!1),c}function u(t,e,r){switch(arguments.length){case 1:return s(t);case 2:return\"function\"==typeof e?o(t,t,e,!0):l(t,e);case 3:return o(t,e,r,!1);default:throw new Error(\"box-intersect: Invalid arguments\")}}e.exports=u;var c,h=t(\"typedarray-pool\"),f=t(\"./lib/sweep\"),d=t(\"./lib/intersect\");\n},{\"./lib/intersect\":91,\"./lib/sweep\":95,\"typedarray-pool\":458}],90:[function(t,e,r){\"use strict\";function n(t,e,r){var n=\"bruteForce\"+(t?\"Red\":\"Blue\")+(e?\"Flip\":\"\")+(r?\"Full\":\"\"),i=[\"function \",n,\"(\",w.join(),\"){\",\"var \",u,\"=2*\",o,\";\"],l=\"for(var i=\"+c+\",\"+p+\"=\"+u+\"*\"+c+\";i<\"+h+\";++i,\"+p+\"+=\"+u+\"){var x0=\"+f+\"[\"+a+\"+\"+p+\"],x1=\"+f+\"[\"+a+\"+\"+p+\"+\"+o+\"],xi=\"+d+\"[i];\",M=\"for(var j=\"+v+\",\"+b+\"=\"+u+\"*\"+v+\";j<\"+m+\";++j,\"+b+\"+=\"+u+\"){var y0=\"+g+\"[\"+a+\"+\"+b+\"],\"+(r?\"y1=\"+g+\"[\"+a+\"+\"+b+\"+\"+o+\"],\":\"\")+\"yi=\"+y+\"[j];\";return t?i.push(l,_,\":\",M):i.push(M,_,\":\",l),r?i.push(\"if(y1<x0||x1<y0)continue;\"):e?i.push(\"if(y0<=x0||x1<y0)continue;\"):i.push(\"if(y0<x0||x1<y0)continue;\"),i.push(\"for(var k=\"+a+\"+1;k<\"+o+\";++k){var r0=\"+f+\"[k+\"+p+\"],r1=\"+f+\"[k+\"+o+\"+\"+p+\"],b0=\"+g+\"[k+\"+b+\"],b1=\"+g+\"[k+\"+o+\"+\"+b+\"];if(r1<b0||b1<r0)continue \"+_+\";}var \"+x+\"=\"+s+\"(\"),e?i.push(\"yi,xi\"):i.push(\"xi,yi\"),i.push(\");if(\"+x+\"!==void 0)return \"+x+\";}}}\"),{name:n,code:i.join(\"\")}}function i(t){function e(e,r){var o=n(e,r,t);i.push(o.code),a.push(\"return \"+o.name+\"(\"+w.join()+\");\")}var r=\"bruteForce\"+(t?\"Full\":\"Partial\"),i=[],o=w.slice();t||o.splice(3,0,l);var a=[\"function \"+r+\"(\"+o.join()+\"){\"];a.push(\"if(\"+h+\"-\"+c+\">\"+m+\"-\"+v+\"){\"),t?(e(!0,!1),a.push(\"}else{\"),e(!1,!1)):(a.push(\"if(\"+l+\"){\"),e(!0,!0),a.push(\"}else{\"),e(!0,!1),a.push(\"}}else{if(\"+l+\"){\"),e(!1,!0),a.push(\"}else{\"),e(!1,!1),a.push(\"}\")),a.push(\"}}return \"+r);var s=i.join(\"\")+a.join(\"\"),u=new Function(s);return u()}var o=\"d\",a=\"ax\",s=\"vv\",l=\"fp\",u=\"es\",c=\"rs\",h=\"re\",f=\"rb\",d=\"ri\",p=\"rp\",v=\"bs\",m=\"be\",g=\"bb\",y=\"bi\",b=\"bp\",x=\"rv\",_=\"Q\",w=[o,a,s,c,h,f,d,v,m,g,y];r.partial=i(!1),r.full=i(!0)},{}],91:[function(t,e,r){\"use strict\";function n(t,e){var r=8*u.log2(e+1)*(t+1)|0,n=u.nextPow2(A*r);S.length<n&&(l.free(S),S=l.mallocInt32(n));var i=u.nextPow2(T*r);i>L&&(l.free(L),L=l.mallocDouble(i))}function i(t,e,r,n,i,o,a,s,l){var u=A*t;S[u]=e,S[u+1]=r,S[u+2]=n,S[u+3]=i,S[u+4]=o,S[u+5]=a;var c=T*t;L[c]=s,L[c+1]=l}function o(t,e,r,n,i,o,a,s,l,u,c){var h=2*t,f=l*h,d=u[f+e];t:for(var p=i,v=i*h;o>p;++p,v+=h){var m=a[v+e],g=a[v+e+t];if(!(m>d||d>g||n&&d===m)){for(var y=s[p],b=e+1;t>b;++b){var m=a[v+b],g=a[v+b+t],x=u[f+b],_=u[f+b+t];if(x>g||m>_)continue t}var w;if(w=n?r(c,y):r(y,c),void 0!==w)return w}}}function a(t,e,r,n,i,o,a,s,l,u){var c=2*t,h=s*c,f=l[h+e];t:for(var d=n,p=n*c;i>d;++d,p+=c){var v=a[d];if(v!==u){var m=o[p+e],g=o[p+e+t];if(!(m>f||f>g)){for(var y=e+1;t>y;++y){var m=o[p+y],g=o[p+y+t],b=l[h+y],x=l[h+y+t];if(b>g||m>x)continue t}var _=r(v,u);if(void 0!==_)return _}}}}function s(t,e,r,s,l,u,c,v,E){n(t,s+c);var z,I=0,P=2*t;for(i(I++,0,0,s,0,c,r?16:0,-(1/0),1/0),r||i(I++,0,0,c,0,s,1,-(1/0),1/0);I>0;){I-=1;var C=I*A,R=S[C],D=S[C+1],O=S[C+2],F=S[C+3],j=S[C+4],N=S[C+5],B=I*T,U=L[B],V=L[B+1],q=1&N,G=!!(16&N),H=l,X=u,Y=v,W=E;if(q&&(H=v,X=E,Y=l,W=u),!(2&N&&(O=_(t,R,D,O,H,X,V),D>=O)||4&N&&(D=w(t,R,D,O,H,X,U),D>=O))){var Z=O-D,K=j-F;if(G){if(y>t*Z*(Z+K)){if(z=d.scanComplete(t,R,e,D,O,H,X,F,j,Y,W),void 0!==z)return z;continue}}else{if(t*Math.min(Z,K)<m){if(z=h(t,R,e,q,D,O,H,X,F,j,Y,W),void 0!==z)return z;continue}if(g>t*Z*K){if(z=d.scanBipartite(t,R,e,q,D,O,H,X,F,j,Y,W),void 0!==z)return z;continue}}var J=b(t,R,D,O,H,X,U,V);if(J>D)if(m>t*(J-D)){if(z=f(t,R+1,e,D,J,H,X,F,j,Y,W),void 0!==z)return z}else if(R===t-2){if(z=q?d.sweepBipartite(t,e,F,j,Y,W,D,J,H,X):d.sweepBipartite(t,e,D,J,H,X,F,j,Y,W),void 0!==z)return z}else i(I++,R+1,D,J,F,j,q,-(1/0),1/0),i(I++,R+1,F,j,D,J,1^q,-(1/0),1/0);if(O>J){var $=p(t,R,F,j,Y,W),Q=Y[P*$+R],tt=x(t,R,$,j,Y,W,Q);if(j>tt&&i(I++,R,J,O,tt,j,(4|q)+(G?16:0),Q,V),$>F&&i(I++,R,J,O,F,$,(2|q)+(G?16:0),U,Q),$+1===tt){if(z=G?a(t,R,e,J,O,H,X,$,Y,W[$]):o(t,R,e,q,J,O,H,X,$,Y,W[$]),void 0!==z)return z}else if(tt>$){var et;if(G){if(et=M(t,R,J,O,H,X,Q),et>J){var rt=x(t,R,J,et,H,X,Q);if(R===t-2){if(rt>J&&(z=d.sweepComplete(t,e,J,rt,H,X,$,tt,Y,W),void 0!==z))return z;if(et>rt&&(z=d.sweepBipartite(t,e,rt,et,H,X,$,tt,Y,W),void 0!==z))return z}else rt>J&&i(I++,R+1,J,rt,$,tt,16,-(1/0),1/0),et>rt&&(i(I++,R+1,rt,et,$,tt,0,-(1/0),1/0),i(I++,R+1,$,tt,rt,et,1,-(1/0),1/0))}}else et=q?k(t,R,J,O,H,X,Q):M(t,R,J,O,H,X,Q),et>J&&(R===t-2?z=q?d.sweepBipartite(t,e,$,tt,Y,W,J,et,H,X):d.sweepBipartite(t,e,J,et,H,X,$,tt,Y,W):(i(I++,R+1,J,et,$,tt,q,-(1/0),1/0),i(I++,R+1,$,tt,J,et,1^q,-(1/0),1/0)))}}}}}e.exports=s;var l=t(\"typedarray-pool\"),u=t(\"bit-twiddle\"),c=t(\"./brute\"),h=c.partial,f=c.full,d=t(\"./sweep\"),p=t(\"./median\"),v=t(\"./partition\"),m=128,g=1<<22,y=1<<22,b=v(\"!(lo>=p0)&&!(p1>=hi)\",[\"p0\",\"p1\"]),x=v(\"lo===p0\",[\"p0\"]),_=v(\"lo<p0\",[\"p0\"]),w=v(\"hi<=p0\",[\"p0\"]),M=v(\"lo<=p0&&p0<=hi\",[\"p0\"]),k=v(\"lo<p0&&p0<=hi\",[\"p0\"]),A=6,T=2,E=1024,S=l.mallocInt32(E),L=l.mallocDouble(E)},{\"./brute\":90,\"./median\":92,\"./partition\":93,\"./sweep\":95,\"bit-twiddle\":51,\"typedarray-pool\":458}],92:[function(t,e,r){\"use strict\";function n(t,e,r,n,i,o){for(var a=2*t,s=a*(r+1)+e,l=r+1;n>l;++l,s+=a)for(var u=i[s],c=l,h=a*(l-1);c>r&&i[h+e]>u;--c,h-=a){for(var f=h,d=h+a,p=0;a>p;++p,++f,++d){var v=i[f];i[f]=i[d],i[d]=v}var m=o[c];o[c]=o[c-1],o[c-1]=m}}function i(t,e,r,i,o,l){if(r+1>=i)return r;for(var u=r,c=i,h=i+r>>>1,f=2*t,d=h,p=o[f*h+e];c>u;){if(s>c-u){n(t,e,u,c,o,l),p=o[f*h+e];break}var v=c-u,m=Math.random()*v+u|0,g=o[f*m+e],y=Math.random()*v+u|0,b=o[f*y+e],x=Math.random()*v+u|0,_=o[f*x+e];b>=g?_>=b?(d=y,p=b):g>=_?(d=m,p=g):(d=x,p=_):b>=_?(d=y,p=b):_>=g?(d=m,p=g):(d=x,p=_);for(var w=f*(c-1),M=f*d,k=0;f>k;++k,++w,++M){var A=o[w];o[w]=o[M],o[M]=A}var T=l[c-1];l[c-1]=l[d],l[d]=T,d=a(t,e,u,c-1,o,l,p);for(var w=f*(c-1),M=f*d,k=0;f>k;++k,++w,++M){var A=o[w];o[w]=o[M],o[M]=A}var T=l[c-1];if(l[c-1]=l[d],l[d]=T,d>h){for(c=d-1;c>u&&o[f*(c-1)+e]===p;)c-=1;c+=1}else{if(!(h>d))break;for(u=d+1;c>u&&o[f*u+e]===p;)u+=1}}return a(t,e,r,h,o,l,o[f*h+e])}e.exports=i;var o=t(\"./partition\"),a=o(\"lo<p0\",[\"p0\"]),s=8},{\"./partition\":93}],93:[function(t,e,r){\"use strict\";function n(t,e){var r=\"abcdef\".split(\"\").concat(e),n=[];return t.indexOf(\"lo\")>=0&&n.push(\"lo=e[k+n]\"),t.indexOf(\"hi\")>=0&&n.push(\"hi=e[k+o]\"),r.push(i.replace(\"_\",n.join()).replace(\"$\",t)),Function.apply(void 0,r)}e.exports=n;var i=\"for(var j=2*a,k=j*c,l=k,m=c,n=b,o=a+b,p=c;d>p;++p,k+=j){var _;if($)if(m===p)m+=1,l+=j;else{for(var s=0;j>s;++s){var t=e[k+s];e[k+s]=e[l],e[l++]=t}var u=f[p];f[p]=f[m],f[m++]=u}}return m\"},{}],94:[function(t,e,r){\"use strict\";function n(t,e){4*f>=e?i(0,e-1,t):h(0,e-1,t)}function i(t,e,r){for(var n=2*(t+1),i=t+1;e>=i;++i){for(var o=r[n++],a=r[n++],s=i,l=n-2;s-- >t;){var u=r[l-2],c=r[l-1];if(o>u)break;if(u===o&&a>c)break;r[l]=u,r[l+1]=c,l-=2}r[l]=o,r[l+1]=a}}function o(t,e,r){t*=2,e*=2;var n=r[t],i=r[t+1];r[t]=r[e],r[t+1]=r[e+1],r[e]=n,r[e+1]=i}function a(t,e,r){t*=2,e*=2,r[t]=r[e],r[t+1]=r[e+1]}function s(t,e,r,n){t*=2,e*=2,r*=2;var i=n[t],o=n[t+1];n[t]=n[e],n[t+1]=n[e+1],n[e]=n[r],n[e+1]=n[r+1],n[r]=i,n[r+1]=o}function l(t,e,r,n,i){t*=2,e*=2,i[t]=i[e],i[e]=r,i[t+1]=i[e+1],i[e+1]=n}function u(t,e,r){t*=2,e*=2;var n=r[t],i=r[e];return i>n?!1:n===i?r[t+1]>r[e+1]:!0}function c(t,e,r,n){t*=2;var i=n[t];return e>i?!0:i===e?n[t+1]<r:!1}function h(t,e,r){var n=(e-t+1)/6|0,d=t+n,p=e-n,v=t+e>>1,m=v-n,g=v+n,y=d,b=m,x=v,_=g,w=p,M=t+1,k=e-1,A=0;u(y,b,r)&&(A=y,y=b,b=A),u(_,w,r)&&(A=_,_=w,w=A),u(y,x,r)&&(A=y,y=x,x=A),u(b,x,r)&&(A=b,b=x,x=A),u(y,_,r)&&(A=y,y=_,_=A),u(x,_,r)&&(A=x,x=_,_=A),u(b,w,r)&&(A=b,b=w,w=A),u(b,x,r)&&(A=b,b=x,x=A),u(_,w,r)&&(A=_,_=w,w=A);for(var T=r[2*b],E=r[2*b+1],S=r[2*_],L=r[2*_+1],z=2*y,I=2*x,P=2*w,C=2*d,R=2*v,D=2*p,O=0;2>O;++O){var F=r[z+O],j=r[I+O],N=r[P+O];r[C+O]=F,r[R+O]=j,r[D+O]=N}a(m,t,r),a(g,e,r);for(var B=M;k>=B;++B)if(c(B,T,E,r))B!==M&&o(B,M,r),++M;else if(!c(B,S,L,r))for(;;){if(c(k,S,L,r)){c(k,T,E,r)?(s(B,M,k,r),++M,--k):(o(B,k,r),--k);break}if(--k<B)break}l(t,M-1,T,E,r),l(e,k+1,S,L,r),f>=M-2-t?i(t,M-2,r):h(t,M-2,r),f>=e-(k+2)?i(k+2,e,r):h(k+2,e,r),f>=k-M?i(M,k,r):h(M,k,r)}e.exports=n;var f=32},{}],95:[function(t,e,r){\"use strict\";function n(t){var e=h.nextPow2(t);v.length<e&&(c.free(v),v=c.mallocInt32(e)),m.length<e&&(c.free(m),m=c.mallocInt32(e)),g.length<e&&(c.free(g),g=c.mallocInt32(e)),y.length<e&&(c.free(y),y=c.mallocInt32(e)),b.length<e&&(c.free(b),b=c.mallocInt32(e)),x.length<e&&(c.free(x),x=c.mallocInt32(e));var r=8*e;_.length<r&&(c.free(_),_=c.mallocDouble(r))}function i(t,e,r,n){var i=e[n],o=t[r-1];t[i]=o,e[o]=i}function o(t,e,r,n){t[r]=n,e[n]=r}function a(t,e,r,n,a,s,l,u,c,h){for(var p=0,b=2*t,x=t-1,w=b-1,M=r;n>M;++M){var k=s[M],A=b*M;_[p++]=a[A+x],_[p++]=-(k+1),_[p++]=a[A+w],_[p++]=k}for(var M=l;u>M;++M){var k=h[M]+d,T=b*M;_[p++]=c[T+x],_[p++]=-k,_[p++]=c[T+w],_[p++]=k}var E=p>>>1;f(_,E);for(var S=0,L=0,M=0;E>M;++M){var z=0|_[2*M+1];if(z>=d)z=z-d|0,i(g,y,L--,z);else if(z>=0)i(v,m,S--,z);else if(-d>=z){z=-z-d|0;for(var I=0;S>I;++I){var P=e(v[I],z);if(void 0!==P)return P}o(g,y,L++,z)}else{z=-z-1|0;for(var I=0;L>I;++I){var P=e(z,g[I]);if(void 0!==P)return P}o(v,m,S++,z)}}}function s(t,e,r,n,a,s,l,u,c,h){for(var d=0,p=2*t,w=t-1,M=p-1,k=r;n>k;++k){var A=s[k]+1<<1,T=p*k;_[d++]=a[T+w],_[d++]=-A,_[d++]=a[T+M],_[d++]=A}for(var k=l;u>k;++k){var A=h[k]+1<<1,E=p*k;_[d++]=c[E+w],_[d++]=1|-A,_[d++]=c[E+M],_[d++]=1|A}var S=d>>>1;f(_,S);for(var L=0,z=0,I=0,k=0;S>k;++k){var P=0|_[2*k+1],C=1&P;if(S-1>k&&P>>1===_[2*k+3]>>1&&(C=2,k+=1),0>P){for(var R=-(P>>1)-1,D=0;I>D;++D){var O=e(b[D],R);if(void 0!==O)return O}if(0!==C)for(var D=0;L>D;++D){var O=e(v[D],R);if(void 0!==O)return O}if(1!==C)for(var D=0;z>D;++D){var O=e(g[D],R);if(void 0!==O)return O}0===C?o(v,m,L++,R):1===C?o(g,y,z++,R):2===C&&o(b,x,I++,R)}else{var R=(P>>1)-1;0===C?i(v,m,L--,R):1===C?i(g,y,z--,R):2===C&&i(b,x,I--,R)}}}function l(t,e,r,n,a,s,l,u,c,h,p,g){var y=0,b=2*t,x=e,w=e+t,M=1,k=1;n?k=d:M=d;for(var A=a;s>A;++A){var T=A+M,E=b*A;_[y++]=l[E+x],_[y++]=-T,_[y++]=l[E+w],_[y++]=T}for(var A=c;h>A;++A){var T=A+k,S=b*A;_[y++]=p[S+x],_[y++]=-T}var L=y>>>1;f(_,L);for(var z=0,A=0;L>A;++A){var I=0|_[2*A+1];if(0>I){var T=-I,P=!1;if(T>=d?(P=!n,T-=d):(P=!!n,T-=1),P)o(v,m,z++,T);else{var C=g[T],R=b*T,D=p[R+e+1],O=p[R+e+1+t];t:for(var F=0;z>F;++F){var j=v[F],N=b*j;if(!(O<l[N+e+1]||l[N+e+1+t]<D)){for(var B=e+2;t>B;++B)if(p[R+B+t]<l[N+B]||l[N+B+t]<p[R+B])continue t;var U,V=u[j];if(U=n?r(C,V):r(V,C),void 0!==U)return U}}}}else i(v,m,z--,I-M)}}function u(t,e,r,n,i,o,a,s,l,u,c){for(var h=0,p=2*t,m=e,g=e+t,y=n;i>y;++y){var b=y+d,x=p*y;_[h++]=o[x+m],_[h++]=-b,_[h++]=o[x+g],_[h++]=b}for(var y=s;l>y;++y){var b=y+1,w=p*y;_[h++]=u[w+m],_[h++]=-b}var M=h>>>1;f(_,M);for(var k=0,y=0;M>y;++y){var A=0|_[2*y+1];if(0>A){var b=-A;if(b>=d)v[k++]=b-d;else{b-=1;var T=c[b],E=p*b,S=u[E+e+1],L=u[E+e+1+t];t:for(var z=0;k>z;++z){var I=v[z],P=a[I];if(P===T)break;var C=p*I;if(!(L<o[C+e+1]||o[C+e+1+t]<S)){for(var R=e+2;t>R;++R)if(u[E+R+t]<o[C+R]||o[C+R+t]<u[E+R])continue t;var D=r(P,T);if(void 0!==D)return D}}}}else{for(var b=A-d,z=k-1;z>=0;--z)if(v[z]===b){for(var R=z+1;k>R;++R)v[R-1]=v[R];break}--k}}}e.exports={init:n,sweepBipartite:a,sweepComplete:s,scanBipartite:l,scanComplete:u};var c=t(\"typedarray-pool\"),h=t(\"bit-twiddle\"),f=t(\"./sort\"),d=1<<28,p=1024,v=c.mallocInt32(p),m=c.mallocInt32(p),g=c.mallocInt32(p),y=c.mallocInt32(p),b=c.mallocInt32(p),x=c.mallocInt32(p),_=c.mallocDouble(8*p)},{\"./sort\":94,\"bit-twiddle\":51,\"typedarray-pool\":458}],96:[function(t,e,r){(function(t){function r(t,e){return d[0]=t,d[1]=e,f[0]}function n(t){return f[0]=t,d[0]}function i(t){return f[0]=t,d[1]}function o(t,e){return d[1]=t,d[0]=e,f[0]}function a(t){return f[0]=t,d[1]}function s(t){return f[0]=t,d[0]}function l(t,e){return p.writeUInt32LE(t,0,!0),p.writeUInt32LE(e,4,!0),p.readDoubleLE(0,!0)}function u(t){return p.writeDoubleLE(t,0,!0),p.readUInt32LE(0,!0)}function c(t){return p.writeDoubleLE(t,0,!0),p.readUInt32LE(4,!0)}var h=!1;if(\"undefined\"!=typeof Float64Array){var f=new Float64Array(1),d=new Uint32Array(f.buffer);f[0]=1,h=!0,1072693248===d[1]?(e.exports=function(t){return f[0]=t,[d[0],d[1]]},e.exports.pack=r,e.exports.lo=n,e.exports.hi=i):1072693248===d[0]?(e.exports=function(t){return f[0]=t,[d[1],d[0]]},e.exports.pack=o,e.exports.lo=a,e.exports.hi=s):h=!1}if(!h){var p=new t(8);e.exports=function(t){return p.writeDoubleLE(t,0,!0),[p.readUInt32LE(0,!0),p.readUInt32LE(4,!0)]},e.exports.pack=l,e.exports.lo=u,e.exports.hi=c}e.exports.sign=function(t){return e.exports.hi(t)>>>31},e.exports.exponent=function(t){var r=e.exports.hi(t);return(r<<1>>>21)-1023},e.exports.fraction=function(t){var r=e.exports.lo(t),n=e.exports.hi(t),i=1048575&n;return 2146435072&n&&(i+=1<<20),[r,i]},e.exports.denormalized=function(t){var r=e.exports.hi(t);return!(2146435072&r)}}).call(this,t(\"buffer\").Buffer)},{buffer:53}],97:[function(t,e,r){\"use strict\";function n(t,e){if(isNaN(t)||isNaN(e))return NaN;if(t===e)return t;if(0===t)return 0>e?-o:o;var r=i.hi(t),n=i.lo(t);return e>t==t>0?n===a?(r+=1,n=0):n+=1:0===n?(n=a,r-=1):n-=1,i.pack(n,r)}var i=t(\"double-bits\"),o=Math.pow(2,-1074),a=-1>>>0;e.exports=n},{\"double-bits\":96}],98:[function(t,e,r){\"use strict\";function n(t,e){for(var r=t.length,n=new Array(r),o=0;r>o;++o)n[o]=i(t[o],e[o]);return n}var i=t(\"big-rat/add\");e.exports=n},{\"big-rat/add\":72}],99:[function(t,e,r){\"use strict\";function n(t){for(var e=new Array(t.length),r=0;r<t.length;++r)e[r]=i(t[r]);return e}e.exports=n;var i=t(\"big-rat\")},{\"big-rat\":75}],100:[function(t,e,r){\"use strict\";function n(t,e){for(var r=i(e),n=t.length,a=new Array(n),s=0;n>s;++s)a[s]=o(t[s],r);return a}var i=t(\"big-rat\"),o=t(\"big-rat/mul\");e.exports=n},{\"big-rat\":75,\"big-rat/mul\":84}],101:[function(t,e,r){\"use strict\";function n(t,e){for(var r=t.length,n=new Array(r),o=0;r>o;++o)n[o]=i(t[o],e[o]);return n}var i=t(\"big-rat/sub\");e.exports=n},{\"big-rat/sub\":87}],102:[function(t,e,r){\"use strict\";function n(t,e,r,n){for(var i=0;2>i;++i){var o=t[i],a=e[i],s=Math.min(o,a),l=Math.max(o,a),u=r[i],c=n[i],h=Math.min(u,c),f=Math.max(u,c);if(s>f||h>l)return!1}return!0}function i(t,e,r,i){var a=o(t,r,i),s=o(e,r,i);if(a>0&&s>0||0>a&&0>s)return!1;var l=o(r,t,e),u=o(i,t,e);return l>0&&u>0||0>l&&0>u?!1:0===a&&0===s&&0===l&&0===u?n(t,e,r,i):!0}e.exports=i;var o=t(\"robust-orientation\")[3]},{\"robust-orientation\":439}],103:[function(t,e,r){\"use strict\";\"use restrict\";function n(t){this.roots=new Array(t),this.ranks=new Array(t);for(var e=0;t>e;++e)this.roots[e]=e,this.ranks[e]=0}e.exports=n;var i=n.prototype;Object.defineProperty(i,\"length\",{get:function(){return this.roots.length}}),i.makeSet=function(){var t=this.roots.length;return this.roots.push(t),this.ranks.push(0),t},i.find=function(t){for(var e=t,r=this.roots;r[t]!==t;)t=r[t];for(;r[e]!==t;){var n=r[e];r[e]=t,e=n}return t},i.link=function(t,e){var r=this.find(t),n=this.find(e);if(r!==n){var i=this.ranks,o=this.roots,a=i[r],s=i[n];s>a?o[r]=n:a>s?o[n]=r:(o[n]=r,++i[r])}}},{}],104:[function(t,e,r){(function(t){var r=function(){\"use strict\";function e(r,n,i,o){function s(r,i){if(null===r)return null;if(0==i)return r;var l,f;if(\"object\"!=typeof r)return r;if(e.__isArray(r))l=[];else if(e.__isRegExp(r))l=new RegExp(r.source,a(r)),r.lastIndex&&(l.lastIndex=r.lastIndex);else if(e.__isDate(r))l=new Date(r.getTime());else{if(h&&t.isBuffer(r))return l=new t(r.length),r.copy(l),l;\"undefined\"==typeof o?(f=Object.getPrototypeOf(r),l=Object.create(f)):(l=Object.create(o),f=o)}if(n){var d=u.indexOf(r);if(-1!=d)return c[d];u.push(r),c.push(l)}for(var p in r){var v;f&&(v=Object.getOwnPropertyDescriptor(f,p)),v&&null==v.set||(l[p]=s(r[p],i-1))}return l}var l;\"object\"==typeof n&&(i=n.depth,o=n.prototype,l=n.filter,n=n.circular);var u=[],c=[],h=\"undefined\"!=typeof t;return\"undefined\"==typeof n&&(n=!0),\"undefined\"==typeof i&&(i=1/0),s(r,i)}function r(t){return Object.prototype.toString.call(t)}function n(t){return\"object\"==typeof t&&\"[object Date]\"===r(t)}function i(t){return\"object\"==typeof t&&\"[object Array]\"===r(t)}function o(t){return\"object\"==typeof t&&\"[object RegExp]\"===r(t)}function a(t){var e=\"\";return t.global&&(e+=\"g\"),t.ignoreCase&&(e+=\"i\"),t.multiline&&(e+=\"m\"),e}return e.clonePrototype=function(t){if(null===t)return null;var e=function(){};return e.prototype=t,new e},e.__objToStr=r,e.__isDate=n,e.__isArray=i,e.__isRegExp=o,e.__getRegExpFlags=a,e}();\"object\"==typeof e&&e.exports&&(e.exports=r)}).call(this,t(\"buffer\").Buffer)},{buffer:53}],105:[function(t,e,r){e.exports={jet:[{index:0,rgb:[0,0,131]},{index:.125,rgb:[0,60,170]},{index:.375,rgb:[5,255,255]},{index:.625,rgb:[255,255,0]},{index:.875,rgb:[250,0,0]},{index:1,rgb:[128,0,0]}],hsv:[{index:0,rgb:[255,0,0]},{index:.169,rgb:[253,255,2]},{index:.173,rgb:[247,255,2]},{index:.337,rgb:[0,252,4]},{index:.341,rgb:[0,252,10]},{index:.506,rgb:[1,249,255]},{index:.671,rgb:[2,0,253]},{index:.675,rgb:[8,0,253]},{index:.839,rgb:[255,0,251]},{index:.843,rgb:[255,0,245]},{index:1,rgb:[255,0,6]}],hot:[{index:0,rgb:[0,0,0]},{index:.3,rgb:[230,0,0]},{index:.6,rgb:[255,210,0]},{index:1,rgb:[255,255,255]}],cool:[{index:0,rgb:[0,255,255]},{index:1,rgb:[255,0,255]}],spring:[{index:0,rgb:[255,0,255]},{index:1,rgb:[255,255,0]}],summer:[{index:0,rgb:[0,128,102]},{index:1,rgb:[255,255,102]}],autumn:[{index:0,rgb:[255,0,0]},{index:1,rgb:[255,255,0]}],winter:[{index:0,rgb:[0,0,255]},{index:1,rgb:[0,255,128]}],bone:[{index:0,rgb:[0,0,0]},{index:.376,rgb:[84,84,116]},{index:.753,rgb:[169,200,200]},{index:1,rgb:[255,255,255]}],copper:[{index:0,rgb:[0,0,0]},{index:.804,rgb:[255,160,102]},{index:1,rgb:[255,199,127]}],greys:[{index:0,rgb:[0,0,0]},{index:1,rgb:[255,255,255]}],yignbu:[{index:0,rgb:[8,29,88]},{index:.125,rgb:[37,52,148]},{index:.25,rgb:[34,94,168]},{index:.375,rgb:[29,145,192]},{index:.5,rgb:[65,182,196]},{index:.625,rgb:[127,205,187]},{index:.75,rgb:[199,233,180]},{index:.875,rgb:[237,248,217]},{index:1,rgb:[255,255,217]}],greens:[{index:0,rgb:[0,68,27]},{index:.125,rgb:[0,109,44]},{index:.25,rgb:[35,139,69]},{index:.375,rgb:[65,171,93]},{index:.5,rgb:[116,196,118]},{index:.625,rgb:[161,217,155]},{index:.75,rgb:[199,233,192]},{index:.875,rgb:[229,245,224]},{index:1,rgb:[247,252,245]}],yiorrd:[{index:0,rgb:[128,0,38]},{index:.125,rgb:[189,0,38]},{index:.25,rgb:[227,26,28]},{index:.375,rgb:[252,78,42]},{index:.5,rgb:[253,141,60]},{index:.625,rgb:[254,178,76]},{index:.75,rgb:[254,217,118]},{index:.875,rgb:[255,237,160]},{index:1,rgb:[255,255,204]}],bluered:[{index:0,rgb:[0,0,255]},{index:1,rgb:[255,0,0]}],rdbu:[{index:0,rgb:[5,10,172]},{index:.35,rgb:[106,137,247]},{index:.5,rgb:[190,190,190]},{index:.6,rgb:[220,170,132]},{index:.7,rgb:[230,145,90]},{index:1,rgb:[178,10,28]}],picnic:[{index:0,rgb:[0,0,255]},{index:.1,rgb:[51,153,255]},{index:.2,rgb:[102,204,255]},{index:.3,rgb:[153,204,255]},{index:.4,rgb:[204,204,255]},{index:.5,rgb:[255,255,255]},{index:.6,rgb:[255,204,255]},{index:.7,rgb:[255,153,255]},{index:.8,rgb:[255,102,204]},{index:.9,rgb:[255,102,102]},{index:1,rgb:[255,0,0]}],rainbow:[{index:0,rgb:[150,0,90]},{index:.125,rgb:[0,0,200]},{index:.25,rgb:[0,25,255]},{index:.375,rgb:[0,152,255]},{index:.5,rgb:[44,255,150]},{index:.625,rgb:[151,255,0]},{index:.75,rgb:[255,234,0]},{index:.875,rgb:[255,111,0]},{index:1,rgb:[255,0,0]}],portland:[{index:0,rgb:[12,51,131]},{index:.25,rgb:[10,136,186]},{index:.5,rgb:[242,211,56]},{index:.75,rgb:[242,143,56]},{index:1,rgb:[217,30,30]}],blackbody:[{index:0,rgb:[0,0,0]},{index:.2,rgb:[230,0,0]},{index:.4,rgb:[230,210,0]},{index:.7,rgb:[255,255,255]},{index:1,rgb:[160,200,255]}],earth:[{index:0,rgb:[0,0,130]},{index:.1,rgb:[0,180,180]},{index:.2,rgb:[40,210,40]},{index:.4,rgb:[230,230,50]},{index:.6,rgb:[120,70,20]},{index:1,rgb:[255,255,255]}],electric:[{index:0,rgb:[0,0,0]},{index:.15,rgb:[30,0,100]},{index:.4,rgb:[120,0,100]},{index:.6,rgb:[160,90,0]},{index:.8,rgb:[230,200,0]},{index:1,rgb:[255,250,220]}],alpha:[{index:0,rgb:[255,255,255,0]},{index:0,rgb:[255,255,255,1]}]}},{}],106:[function(t,e,r){\"use strict\";function n(t){for(var e,r=\"#\",n=0;3>n;++n)e=t[n],e=e.toString(16),r+=(\"00\"+e).substr(e.length);return r}function i(t){return\"rgba(\"+t.join(\",\")+\")\"}var o=t(\"arraytools\"),a=t(\"clone\"),s=t(\"./colorScales\");e.exports=function(t){var e,r,l,u,c,h,f,d,p,v,m,g,y,b=[],x=[],_=[],w=[];if(o.isPlainObject(t)||(t={}),p=t.nshades||72,d=t.format||\"hex\",f=t.colormap,f||(f=\"jet\"),\"string\"==typeof f){if(f=f.toLowerCase(),!s[f])throw Error(f+\" not a supported colorscale\");h=a(s[f])}else{if(!Array.isArray(f))throw Error(\"unsupported colormap option\",f);h=a(f)}if(h.length>p)throw new Error(f+\" map requires nshades to be at least size \"+h.length);for(m=Array.isArray(t.alpha)?2!==t.alpha.length?[1,1]:a(t.alpha):\"number\"==typeof t.alpha?[t.alpha,t.alpha]:[1,1],e=h.map(function(t){return Math.round(t.index*p)}),m[0]<0&&(m[0]=0),m[1]<0&&(m[0]=0),m[0]>1&&(m[0]=1),m[1]>1&&(m[0]=1),y=0;y<e.length;++y)g=h[y].index,r=h[y].rgb,4===r.length&&r[3]>=0&&r[3]<=1||(r[3]=m[0]+(m[1]-m[0])*g);for(y=0;y<e.length-1;++y)c=e[y+1]-e[y],l=h[y].rgb,u=h[y+1].rgb,b=b.concat(o.linspace(l[0],u[0],c)),x=x.concat(o.linspace(l[1],u[1],c)),_=_.concat(o.linspace(l[2],u[2],c)),w=w.concat(o.linspace(l[3],u[3],c));return b=b.map(Math.round),x=x.map(Math.round),_=_.map(Math.round),v=o.zip(b,x,_,w),\"hex\"===d&&(v=v.map(n)),\"rgbaString\"===d&&(v=v.map(i)),v}},{\"./colorScales\":105,arraytools:50,clone:104}],107:[function(t,e,r){function n(t,e){return t-e}function i(t,e){var r=t.length,i=t.length-e.length;if(i)return i;switch(r){case 0:return 0;case 1:return t[0]-e[0];case 2:return t[0]+t[1]-e[0]-e[1]||o(t[0],t[1])-o(e[0],e[1]);case 3:var a=t[0]+t[1],s=e[0]+e[1];if(i=a+t[2]-(s+e[2]))return i;var l=o(t[0],t[1]),u=o(e[0],e[1]);return o(l,t[2])-o(u,e[2])||o(l+t[2],a)-o(u+e[2],s);case 4:var c=t[0],h=t[1],f=t[2],d=t[3],p=e[0],v=e[1],m=e[2],g=e[3];return c+h+f+d-(p+v+m+g)||o(c,h,f,d)-o(p,v,m,g,p)||o(c+h,c+f,c+d,h+f,h+d,f+d)-o(p+v,p+m,p+g,v+m,v+g,m+g)||o(c+h+f,c+h+d,c+f+d,h+f+d)-o(p+v+m,p+v+g,p+m+g,v+m+g);default:for(var y=t.slice().sort(n),b=e.slice().sort(n),x=0;r>x;++x)if(i=y[x]-b[x])return i;return 0}}e.exports=i;var o=Math.min},{}],108:[function(t,e,r){\"use strict\";function n(t){var e=t.length;if(0===e)return[];if(1===e)return[[0]];var r=t[0].length;return 0===r?[]:1===r?i(t):2===r?o(t):a(t,r)}var i=t(\"./lib/ch1d\"),o=t(\"./lib/ch2d\"),a=t(\"./lib/chnd\");e.exports=n},{\"./lib/ch1d\":109,\"./lib/ch2d\":110,\"./lib/chnd\":111}],109:[function(t,e,r){\"use strict\";function n(t){for(var e=0,r=0,n=1;n<t.length;++n)t[n][0]<t[e][0]&&(e=n),t[n][0]>t[r][0]&&(r=n);return r>e?[[e],[r]]:e>r?[[r],[e]]:[[e]]}e.exports=n},{}],110:[function(t,e,r){\"use strict\";function n(t){var e=i(t),r=e.length;if(2>=r)return[];for(var n=new Array(r),o=e[r-1],a=0;r>a;++a){var s=e[a];n[a]=[o,s],o=s}return n}e.exports=n;var i=t(\"monotone-convex-hull-2d\")},{\"monotone-convex-hull-2d\":113}],111:[function(t,e,r){\"use strict\";function n(t,e){for(var r=t.length,n=new Array(r),i=0;i<e.length;++i)n[i]=t[e[i]];for(var o=e.length,i=0;r>i;++i)e.indexOf(i)<0&&(n[o++]=t[i]);return n}function i(t,e){for(var r=t.length,n=e.length,i=0;r>i;++i)for(var o=t[i],a=0;a<o.length;++a){var s=o[a];if(n>s)o[a]=e[s];else{s-=n;for(var l=0;n>l;++l)s>=e[l]&&(s+=1);o[a]=s}}return t}function o(t,e){try{return a(t,!0)}catch(r){var o=s(t);if(o.length<=e)return[];var l=n(t,o),u=a(l,!0);return i(u,o)}}e.exports=o;var a=t(\"incremental-convex-hull\"),s=t(\"affine-hull\")},{\"affine-hull\":112,\"incremental-convex-hull\":241}],112:[function(t,e,r){\"use strict\";function n(t,e){for(var r=new Array(e+1),n=0;n<t.length;++n)r[n]=t[n];for(var n=0;n<=t.length;++n){for(var i=t.length;e>=i;++i){for(var a=new Array(e),s=0;e>s;++s)a[s]=Math.pow(i+1-n,s);r[i]=a}var l=o.apply(void 0,r);if(l)return!0}return!1}function i(t){var e=t.length;if(0===e)return[];if(1===e)return[0];for(var r=t[0].length,i=[t[0]],o=[0],a=1;e>a;++a)if(i.push(t[a]),n(i,r)){if(o.push(a),o.length===r+1)return o}else i.pop();return o}e.exports=i;var o=t(\"robust-orientation\")},{\"robust-orientation\":439}],113:[function(t,e,r){\"use strict\";function n(t){var e=t.length;if(3>e){for(var r=new Array(e),n=0;e>n;++n)r[n]=n;return 2===e&&t[0][0]===t[1][0]&&t[0][1]===t[1][1]?[0]:r}for(var o=new Array(e),n=0;e>n;++n)o[n]=n;o.sort(function(e,r){var n=t[e][0]-t[r][0];return n?n:t[e][1]-t[r][1]});for(var a=[o[0],o[1]],s=[o[0],o[1]],n=2;e>n;++n){for(var l=o[n],u=t[l],c=a.length;c>1&&i(t[a[c-2]],t[a[c-1]],u)<=0;)c-=1,a.pop();for(a.push(l),c=s.length;c>1&&i(t[s[c-2]],t[s[c-1]],u)>=0;)c-=1,s.pop();s.push(l)}for(var r=new Array(s.length+a.length-2),h=0,n=0,f=a.length;f>n;++n)r[h++]=a[n];for(var d=s.length-2;d>0;--d)r[h++]=s[d];return r}e.exports=n;var i=t(\"robust-orientation\")[3]},{\"robust-orientation\":439}],114:[function(t,e,r){e.exports={AFG:\"afghan\",ALA:\"\\\\b\\\\wland\",ALB:\"albania\",DZA:\"algeria\",ASM:\"^(?=.*americ).*samoa\",AND:\"andorra\",AGO:\"angola\",AIA:\"anguill?a\",ATA:\"antarctica\",ATG:\"antigua\",ARG:\"argentin\",ARM:\"armenia\",ABW:\"^(?!.*bonaire).*\\\\baruba\",AUS:\"australia\",AUT:\"^(?!.*hungary).*austria|\\\\baustri.*\\\\bemp\",AZE:\"azerbaijan\",BHS:\"bahamas\",BHR:\"bahrain\",BGD:\"bangladesh|^(?=.*east).*paki?stan\",BRB:\"barbados\",BLR:\"belarus|byelo\",BEL:\"^(?!.*luxem).*belgium\",BLZ:\"belize|^(?=.*british).*honduras\",BEN:\"benin|dahome\",BMU:\"bermuda\",BTN:\"bhutan\",BOL:\"bolivia\",BES:\"^(?=.*bonaire).*eustatius|^(?=.*carib).*netherlands|\\\\bbes.?islands\",BIH:\"herzegovina|bosnia\",BWA:\"botswana|bechuana\",BVT:\"bouvet\",BRA:\"brazil\",IOT:\"british.?indian.?ocean\",BRN:\"brunei\",BGR:\"bulgaria\",BFA:\"burkina|\\\\bfaso|upper.?volta\",BDI:\"burundi\",KHM:\"cambodia|kampuchea|khmer\",CMR:\"cameroon\",CAN:\"canada\",CPV:\"verde\",CYM:\"cayman\",CAF:\"\\\\bcentral.african.republic\",TCD:\"\\\\bchad\",CHL:\"\\\\bchile\",CHN:\"^(?!.*\\\\bmac)(?!.*\\\\bhong)(?!.*\\\\btai).*china\",CXR:\"christmas\",CCK:\"\\\\bcocos|keeling\",COL:\"colombia\",COM:\"comoro\",COD:\"\\\\bdem.*congo|congo.*\\\\bdem|congo.*\\\\bdr|\\\\bdr.*congo|belgian.?congo|congo.?free.?state|kinshasa|zaire|l.opoldville|drc|droc|rdc\",COG:\"^(?!.*\\\\bdem)(?!.*\\\\bdr)(?!.*kinshasa)(?!.*zaire)(?!.*belg)(?!.*l.opoldville)(?!.*free).*\\\\bcongo\",COK:\"\\\\bcook\",CRI:\"costa.?rica\",CIV:\"ivoire|ivory\",HRV:\"croatia\",CUB:\"\\\\bcuba\",CUW:\"^(?!.*bonaire).*\\\\bcura(c|\\xe7)ao\",CYP:\"cyprus\",CZE:\"^(?=.*rep).*czech|czechia|bohemia\",CSK:\"czechoslovakia\",DNK:\"denmark\",DJI:\"djibouti\",DMA:\"dominica(?!n)\",DOM:\"dominican.rep\",ECU:\"ecuador\",EGY:\"egypt\",SLV:\"el.?salvador\",GNQ:\"guine.*eq|eq.*guine|^(?=.*span).*guinea\",ERI:\"eritrea\",EST:\"estonia\",ETH:\"ethiopia|abyssinia\",FLK:\"falkland|malvinas\",FRO:\"faroe|faeroe\",FJI:\"fiji\",FIN:\"finland\",FRA:\"^(?!.*\\\\bdep)(?!.*martinique).*france|french.?republic|\\\\bgaul\",GUF:\"^(?=.*french).*guiana\",PYF:\"french.?polynesia|tahiti\",ATF:\"french.?southern\",GAB:\"gabon\",GMB:\"gambia\",GEO:\"^(?!.*south).*georgia\",DDR:\"german.?democratic.?republic|democratic.?republic.*germany|east.germany\",DEU:\"^(?!.*east).*germany|^(?=.*\\\\bfed.*\\\\brep).*german\",GHA:\"ghana|gold.?coast\",GIB:\"gibraltar\",GRC:\"greece|hellenic|hellas\",GRL:\"greenland\",GRD:\"grenada\",GLP:\"guadeloupe\",GUM:\"\\\\bguam\",GTM:\"guatemala\",GGY:\"guernsey\",GIN:\"^(?!.*eq)(?!.*span)(?!.*bissau)(?!.*portu)(?!.*new).*guinea\",GNB:\"bissau|^(?=.*portu).*guinea\",GUY:\"guyana|british.?guiana\",HTI:\"haiti\",HMD:\"heard.*mcdonald\",VAT:\"holy.?see|vatican|papal.?st\",HND:\"^(?!.*brit).*honduras\",HKG:\"hong.?kong\",HUN:\"^(?!.*austr).*hungary\",ISL:\"iceland\",IND:\"india(?!.*ocea)\",IDN:\"indonesia\",IRN:\"\\\\biran|persia\",IRQ:\"\\\\biraq|mesopotamia\",IRL:\"ireland\",IMN:\"^(?=.*isle).*\\\\bman\",ISR:\"israel\",ITA:\"italy\",JAM:\"jamaica\",JPN:\"japan\",JEY:\"jersey\",JOR:\"jordan\",KAZ:\"kazak\",KEN:\"kenya|british.?east.?africa|east.?africa.?prot\",KIR:\"kiribati\",PRK:\"^(?=.*democrat).*\\\\bkorea|^(?=.*people).*\\\\bkorea|^(?=.*north).*\\\\bkorea|dprk\",KOR:\"^(?!.*democrat)(?!.*people)(?!.*north).*\\\\bkorea\",KWT:\"kuwait\",KGZ:\"kyrgyz|kirghiz\",LAO:\"\\\\blaos?\\\\b\",LVA:\"latvia\",LBN:\"lebanon\",LSO:\"lesotho|basuto\",LBR:\"liberia\",LBY:\"libya\",LIE:\"liechtenstein\",LTU:\"lithuania\",LUX:\"^(?!.*belg).*luxem\",MAC:\"maca(o|u)\",MKD:\"macedonia|fyrom\",MDG:\"madagascar|malagasy\",MWI:\"malawi|nyasa\",MYS:\"malaysia\",MDV:\"maldive\",MLI:\"\\\\bmali\\\\b\",MLT:\"\\\\bmalta\",MHL:\"marshall\",MTQ:\"martinique\",MRT:\"mauritania\",MUS:\"mauritius\",MYT:\"\\\\bmayotte\",MEX:\"\\\\bmexic\",FSM:\"micronesia\",MDA:\"moldov|b(a|e)ssarabia\",MCO:\"monaco\",MNG:\"mongolia\",MNE:\"^(?!.*serbia).*montenegro\",MSR:\"montserrat\",MAR:\"morocco|\\\\bmaroc\",MOZ:\"mozambique\",MMR:\"myanmar|burma\",NAM:\"namibia\",NRU:\"nauru\",NPL:\"nepal\",NLD:\"^(?!.*\\\\bant)(?!.*\\\\bcarib).*netherlands\",ANT:\"^(?=.*\\\\bant).*(nether|dutch)\",NCL:\"new.?caledonia\",NZL:\"new.?zealand\",NIC:\"nicaragua\",NER:\"\\\\bniger(?!ia)\",NGA:\"nigeria\",NIU:\"niue\",NFK:\"norfolk\",MNP:\"mariana\",NOR:\"norway\",OMN:\"\\\\boman|trucial\",PAK:\"^(?!.*east).*paki?stan\",PLW:\"palau\",PSE:\"palestin|\\\\bgaza|west.?bank\",PAN:\"panama\",PNG:\"papua|new.?guinea\",PRY:\"paraguay\",PER:\"peru\",PHL:\"philippines\",PCN:\"pitcairn\",POL:\"poland\",PRT:\"portugal\",PRI:\"puerto.?rico\",QAT:\"qatar\",REU:\"r(e|\\xe9)union\",ROU:\"r(o|u|ou)mania\",RUS:\"\\\\brussia|soviet.?union|u\\\\.?s\\\\.?s\\\\.?r|socialist.?republics\",RWA:\"rwanda\",BLM:\"barth(e|\\xe9)lemy\",SHN:\"helena\",KNA:\"kitts|\\\\bnevis\",LCA:\"\\\\blucia\",MAF:\"^(?=.*collectivity).*martin|^(?=.*france).*martin(?!ique)|^(?=.*french).*martin(?!ique)\",SPM:\"miquelon\",VCT:\"vincent\",WSM:\"^(?!.*amer).*samoa\",SMR:\"san.?marino\",STP:\"\\\\bs(a|\\xe3)o.?tom(e|\\xe9)\",SAU:\"\\\\bsa\\\\w*.?arabia\",SEN:\"senegal\",SRB:\"^(?!.*monte).*serbia\",SYC:\"seychell\",SLE:\"sierra\",SGP:\"singapore\",SXM:\"^(?!.*martin)(?!.*saba).*maarten\",SVK:\"^(?!.*cze).*slovak\",SVN:\"slovenia\",SLB:\"solomon\",SOM:\"somali\",ZAF:\"\\\\bs\\\\w*.?africa\",SGS:\"south.?georgia|sandwich\",SSD:\"\\\\bs\\\\w*.?sudan\",ESP:\"spain\",LKA:\"sri.?lanka|ceylon\",SDN:\"^(?!.*\\\\bs(?!u)).*sudan\",SUR:\"surinam|dutch.?guiana\",SJM:\"svalbard\",SWZ:\"swaziland\",SWE:\"sweden\",CHE:\"switz|swiss\",SYR:\"syria\",TWN:\"taiwan|taipei|formosa\",TJK:\"tajik\",TZA:\"tanzania\",THA:\"thailand|\\\\bsiam\",TLS:\"^(?=.*leste).*timor|^(?=.*east).*timor\",TGO:\"togo\",TKL:\"tokelau\",TON:\"tonga\",TTO:\"trinidad|tobago\",TUN:\"tunisia\",TUR:\"turkey\",TKM:\"turkmen\",TCA:\"turks\",TUV:\"tuvalu\",UGA:\"uganda\",UKR:\"ukrain\",ARE:\"emirates|^u\\\\.?a\\\\.?e\\\\.?$|united.?arab.?em\",GBR:\"united.?kingdom|britain|^u\\\\.?k\\\\.?$\",USA:\"united.?states|\\\\bu\\\\.?s\\\\.?a\\\\.?\\\\b|\\\\bu\\\\.?s\\\\.?\\\\b(?!.*islands)\",UMI:\"minor.?outlying.?is\",URY:\"uruguay\",UZB:\"uzbek\",VUT:\"vanuatu|new.?hebrides\",VEN:\"venezuela\",VNM:\"^(?!.*republic).*viet.?nam|^(?=.*socialist).*viet.?nam\",VGB:\"^(?=.*\\\\bu\\\\.?\\\\s?k).*virgin|^(?=.*brit).*virgin|^(?=.*kingdom).*virgin\",VIR:\"^(?=.*\\\\bu\\\\.?\\\\s?s).*virgin|^(?=.*states).*virgin\",WLF:\"futuna|wallis\",ESH:\"western.sahara\",YEM:\"^(?!.*arab)(?!.*north)(?!.*sana)(?!.*peo)(?!.*dem)(?!.*south)(?!.*aden)(?!.*\\\\bp\\\\.?d\\\\.?r).*yemen\",YMD:\"^(?=.*peo).*yemen|^(?!.*rep)(?=.*dem).*yemen|^(?=.*south).*yemen|^(?=.*aden).*yemen|^(?=.*\\\\bp\\\\.?d\\\\.?r).*yemen\",YUG:\"yugoslavia\",ZMB:\"zambia|northern.?rhodesia\",EAZ:\"zanzibar\",ZWE:\"zimbabwe|^(?!.*northern).*rhodesia\"}},{}],115:[function(t,e,r){\"use strict\";function n(){this.argTypes=[],this.shimArgs=[],this.arrayArgs=[],this.arrayBlockIndices=[],this.scalarArgs=[],this.offsetArgs=[],this.offsetArgIndex=[],this.indexArgs=[],this.shapeArgs=[],this.funcName=\"\",this.pre=null,this.body=null,this.post=null,this.debug=!1}function i(t){var e=new n;e.pre=t.pre,e.body=t.body,e.post=t.post;var r=t.args.slice(0);e.argTypes=r;for(var i=0;i<r.length;++i){var a=r[i];if(\"array\"===a||\"object\"==typeof a&&a.blockIndices){if(e.argTypes[i]=\"array\",e.arrayArgs.push(i),e.arrayBlockIndices.push(a.blockIndices?a.blockIndices:0),e.shimArgs.push(\"array\"+i),i<e.pre.args.length&&e.pre.args[i].count>0)throw new Error(\"cwise: pre() block may not reference array args\");if(i<e.post.args.length&&e.post.args[i].count>0)throw new Error(\"cwise: post() block may not reference array args\")}else if(\"scalar\"===a)e.scalarArgs.push(i),e.shimArgs.push(\"scalar\"+i);else if(\"index\"===a){if(e.indexArgs.push(i),i<e.pre.args.length&&e.pre.args[i].count>0)throw new Error(\"cwise: pre() block may not reference array index\");if(i<e.body.args.length&&e.body.args[i].lvalue)throw new Error(\"cwise: body() block may not write to array index\");if(i<e.post.args.length&&e.post.args[i].count>0)throw new Error(\"cwise: post() block may not reference array index\")}else if(\"shape\"===a){if(e.shapeArgs.push(i),i<e.pre.args.length&&e.pre.args[i].lvalue)throw new Error(\"cwise: pre() block may not write to array shape\");if(i<e.body.args.length&&e.body.args[i].lvalue)throw new Error(\"cwise: body() block may not write to array shape\");if(i<e.post.args.length&&e.post.args[i].lvalue)throw new Error(\"cwise: post() block may not write to array shape\");\n}else{if(\"object\"!=typeof a||!a.offset)throw new Error(\"cwise: Unknown argument type \"+r[i]);e.argTypes[i]=\"offset\",e.offsetArgs.push({array:a.array,offset:a.offset}),e.offsetArgIndex.push(i)}}if(e.arrayArgs.length<=0)throw new Error(\"cwise: No array arguments specified\");if(e.pre.args.length>r.length)throw new Error(\"cwise: Too many arguments in pre() block\");if(e.body.args.length>r.length)throw new Error(\"cwise: Too many arguments in body() block\");if(e.post.args.length>r.length)throw new Error(\"cwise: Too many arguments in post() block\");return e.debug=!!t.printCode||!!t.debug,e.funcName=t.funcName||\"cwise\",e.blockSize=t.blockSize||64,o(e)}var o=t(\"./lib/thunk.js\");e.exports=i},{\"./lib/thunk.js\":117}],116:[function(t,e,r){\"use strict\";function n(t,e,r){var n,i,o=t.length,a=e.arrayArgs.length,s=e.indexArgs.length>0,l=[],u=[],c=0,h=0;for(n=0;o>n;++n)u.push([\"i\",n,\"=0\"].join(\"\"));for(i=0;a>i;++i)for(n=0;o>n;++n)h=c,c=t[n],0===n?u.push([\"d\",i,\"s\",n,\"=t\",i,\"p\",c].join(\"\")):u.push([\"d\",i,\"s\",n,\"=(t\",i,\"p\",c,\"-s\",h,\"*t\",i,\"p\",h,\")\"].join(\"\"));for(l.push(\"var \"+u.join(\",\")),n=o-1;n>=0;--n)c=t[n],l.push([\"for(i\",n,\"=0;i\",n,\"<s\",c,\";++i\",n,\"){\"].join(\"\"));for(l.push(r),n=0;o>n;++n){for(h=c,c=t[n],i=0;a>i;++i)l.push([\"p\",i,\"+=d\",i,\"s\",n].join(\"\"));s&&(n>0&&l.push([\"index[\",h,\"]-=s\",h].join(\"\")),l.push([\"++index[\",c,\"]\"].join(\"\"))),l.push(\"}\")}return l.join(\"\\n\")}function i(t,e,r,i){for(var o=e.length,a=r.arrayArgs.length,s=r.blockSize,l=r.indexArgs.length>0,u=[],c=0;a>c;++c)u.push([\"var offset\",c,\"=p\",c].join(\"\"));for(var c=t;o>c;++c)u.push([\"for(var j\"+c+\"=SS[\",e[c],\"]|0;j\",c,\">0;){\"].join(\"\")),u.push([\"if(j\",c,\"<\",s,\"){\"].join(\"\")),u.push([\"s\",e[c],\"=j\",c].join(\"\")),u.push([\"j\",c,\"=0\"].join(\"\")),u.push([\"}else{s\",e[c],\"=\",s].join(\"\")),u.push([\"j\",c,\"-=\",s,\"}\"].join(\"\")),l&&u.push([\"index[\",e[c],\"]=j\",c].join(\"\"));for(var c=0;a>c;++c){for(var h=[\"offset\"+c],f=t;o>f;++f)h.push([\"j\",f,\"*t\",c,\"p\",e[f]].join(\"\"));u.push([\"p\",c,\"=(\",h.join(\"+\"),\")\"].join(\"\"))}u.push(n(e,r,i));for(var c=t;o>c;++c)u.push(\"}\");return u.join(\"\\n\")}function o(t){for(var e=0,r=t[0].length;r>e;){for(var n=1;n<t.length;++n)if(t[n][e]!==t[0][e])return e;++e}return e}function a(t,e,r){for(var n=t.body,i=[],o=[],a=0;a<t.args.length;++a){var s=t.args[a];if(!(s.count<=0)){var l=new RegExp(s.name,\"g\"),u=\"\",c=e.arrayArgs.indexOf(a);switch(e.argTypes[a]){case\"offset\":var h=e.offsetArgIndex.indexOf(a),f=e.offsetArgs[h];c=f.array,u=\"+q\"+h;case\"array\":u=\"p\"+c+u;var d=\"l\"+a,p=\"a\"+c;if(0===e.arrayBlockIndices[c])1===s.count?\"generic\"===r[c]?s.lvalue?(i.push([\"var \",d,\"=\",p,\".get(\",u,\")\"].join(\"\")),n=n.replace(l,d),o.push([p,\".set(\",u,\",\",d,\")\"].join(\"\"))):n=n.replace(l,[p,\".get(\",u,\")\"].join(\"\")):n=n.replace(l,[p,\"[\",u,\"]\"].join(\"\")):\"generic\"===r[c]?(i.push([\"var \",d,\"=\",p,\".get(\",u,\")\"].join(\"\")),n=n.replace(l,d),s.lvalue&&o.push([p,\".set(\",u,\",\",d,\")\"].join(\"\"))):(i.push([\"var \",d,\"=\",p,\"[\",u,\"]\"].join(\"\")),n=n.replace(l,d),s.lvalue&&o.push([p,\"[\",u,\"]=\",d].join(\"\")));else{for(var v=[s.name],m=[u],g=0;g<Math.abs(e.arrayBlockIndices[c]);g++)v.push(\"\\\\s*\\\\[([^\\\\]]+)\\\\]\"),m.push(\"$\"+(g+1)+\"*t\"+c+\"b\"+g);if(l=new RegExp(v.join(\"\"),\"g\"),u=m.join(\"+\"),\"generic\"===r[c])throw new Error(\"cwise: Generic arrays not supported in combination with blocks!\");n=n.replace(l,[p,\"[\",u,\"]\"].join(\"\"))}break;case\"scalar\":n=n.replace(l,\"Y\"+e.scalarArgs.indexOf(a));break;case\"index\":n=n.replace(l,\"index\");break;case\"shape\":n=n.replace(l,\"shape\")}}}return[i.join(\"\\n\"),n,o.join(\"\\n\")].join(\"\\n\").trim()}function s(t){for(var e=new Array(t.length),r=!0,n=0;n<t.length;++n){var i=t[n],o=i.match(/\\d+/);o=o?o[0]:\"\",0===i.charAt(0)?e[n]=\"u\"+i.charAt(1)+o:e[n]=i.charAt(0)+o,n>0&&(r=r&&e[n]===e[n-1])}return r?e[0]:e.join(\"\")}function l(t,e){for(var r=e[1].length-Math.abs(t.arrayBlockIndices[0])|0,l=new Array(t.arrayArgs.length),c=new Array(t.arrayArgs.length),h=0;h<t.arrayArgs.length;++h)c[h]=e[2*h],l[h]=e[2*h+1];for(var f=[],d=[],p=[],v=[],m=[],h=0;h<t.arrayArgs.length;++h){t.arrayBlockIndices[h]<0?(p.push(0),v.push(r),f.push(r),d.push(r+t.arrayBlockIndices[h])):(p.push(t.arrayBlockIndices[h]),v.push(t.arrayBlockIndices[h]+r),f.push(0),d.push(t.arrayBlockIndices[h]));for(var g=[],y=0;y<l[h].length;y++)p[h]<=l[h][y]&&l[h][y]<v[h]&&g.push(l[h][y]-p[h]);m.push(g)}for(var b=[\"SS\"],x=[\"'use strict'\"],_=[],y=0;r>y;++y)_.push([\"s\",y,\"=SS[\",y,\"]\"].join(\"\"));for(var h=0;h<t.arrayArgs.length;++h){b.push(\"a\"+h),b.push(\"t\"+h),b.push(\"p\"+h);for(var y=0;r>y;++y)_.push([\"t\",h,\"p\",y,\"=t\",h,\"[\",p[h]+y,\"]\"].join(\"\"));for(var y=0;y<Math.abs(t.arrayBlockIndices[h]);++y)_.push([\"t\",h,\"b\",y,\"=t\",h,\"[\",f[h]+y,\"]\"].join(\"\"))}for(var h=0;h<t.scalarArgs.length;++h)b.push(\"Y\"+h);if(t.shapeArgs.length>0&&_.push(\"shape=SS.slice(0)\"),t.indexArgs.length>0){for(var w=new Array(r),h=0;r>h;++h)w[h]=\"0\";_.push([\"index=[\",w.join(\",\"),\"]\"].join(\"\"))}for(var h=0;h<t.offsetArgs.length;++h){for(var M=t.offsetArgs[h],k=[],y=0;y<M.offset.length;++y)0!==M.offset[y]&&(1===M.offset[y]?k.push([\"t\",M.array,\"p\",y].join(\"\")):k.push([M.offset[y],\"*t\",M.array,\"p\",y].join(\"\")));0===k.length?_.push(\"q\"+h+\"=0\"):_.push([\"q\",h,\"=\",k.join(\"+\")].join(\"\"))}var A=u([].concat(t.pre.thisVars).concat(t.body.thisVars).concat(t.post.thisVars));_=_.concat(A),x.push(\"var \"+_.join(\",\"));for(var h=0;h<t.arrayArgs.length;++h)x.push(\"p\"+h+\"|=0\");t.pre.body.length>3&&x.push(a(t.pre,t,c));var T=a(t.body,t,c),E=o(m);r>E?x.push(i(E,m[0],t,T)):x.push(n(m[0],t,T)),t.post.body.length>3&&x.push(a(t.post,t,c)),t.debug&&console.log(\"-----Generated cwise routine for \",e,\":\\n\"+x.join(\"\\n\")+\"\\n----------\");var S=[t.funcName||\"unnamed\",\"_cwise_loop_\",l[0].join(\"s\"),\"m\",E,s(c)].join(\"\"),L=new Function([\"function \",S,\"(\",b.join(\",\"),\"){\",x.join(\"\\n\"),\"} return \",S].join(\"\"));return L()}var u=t(\"uniq\");e.exports=l},{uniq:459}],117:[function(t,e,r){\"use strict\";function n(t){var e=[\"'use strict'\",\"var CACHED={}\"],r=[],n=t.funcName+\"_cwise_thunk\";e.push([\"return function \",n,\"(\",t.shimArgs.join(\",\"),\"){\"].join(\"\"));for(var o=[],a=[],s=[[\"array\",t.arrayArgs[0],\".shape.slice(\",Math.max(0,t.arrayBlockIndices[0]),t.arrayBlockIndices[0]<0?\",\"+t.arrayBlockIndices[0]+\")\":\")\"].join(\"\")],l=[],u=[],c=0;c<t.arrayArgs.length;++c){var h=t.arrayArgs[c];r.push([\"t\",h,\"=array\",h,\".dtype,\",\"r\",h,\"=array\",h,\".order\"].join(\"\")),o.push(\"t\"+h),o.push(\"r\"+h),a.push(\"t\"+h),a.push(\"r\"+h+\".join()\"),s.push(\"array\"+h+\".data\"),s.push(\"array\"+h+\".stride\"),s.push(\"array\"+h+\".offset|0\"),c>0&&(l.push(\"array\"+t.arrayArgs[0]+\".shape.length===array\"+h+\".shape.length+\"+(Math.abs(t.arrayBlockIndices[0])-Math.abs(t.arrayBlockIndices[c]))),u.push(\"array\"+t.arrayArgs[0]+\".shape[shapeIndex+\"+Math.max(0,t.arrayBlockIndices[0])+\"]===array\"+h+\".shape[shapeIndex+\"+Math.max(0,t.arrayBlockIndices[c])+\"]\"))}t.arrayArgs.length>1&&(e.push(\"if (!(\"+l.join(\" && \")+\")) throw new Error('cwise: Arrays do not all have the same dimensionality!')\"),e.push(\"for(var shapeIndex=array\"+t.arrayArgs[0]+\".shape.length-\"+Math.abs(t.arrayBlockIndices[0])+\"; shapeIndex-->0;) {\"),e.push(\"if (!(\"+u.join(\" && \")+\")) throw new Error('cwise: Arrays do not all have the same shape!')\"),e.push(\"}\"));for(var c=0;c<t.scalarArgs.length;++c)s.push(\"scalar\"+t.scalarArgs[c]);r.push([\"type=[\",a.join(\",\"),\"].join()\"].join(\"\")),r.push(\"proc=CACHED[type]\"),e.push(\"var \"+r.join(\",\")),e.push([\"if(!proc){\",\"CACHED[type]=proc=compile([\",o.join(\",\"),\"])}\",\"return proc(\",s.join(\",\"),\")}\"].join(\"\")),t.debug&&console.log(\"-----Generated thunk:\\n\"+e.join(\"\\n\")+\"\\n----------\");var f=new Function(\"compile\",e.join(\"\\n\"));return f(i.bind(void 0,t))}var i=t(\"./compile.js\");e.exports=n},{\"./compile.js\":116}],118:[function(t,e,r){e.exports=t(\"cwise-compiler\")},{\"cwise-compiler\":115}],119:[function(e,r,n){!function(){function e(t){return t&&(t.ownerDocument||t.document||t).documentElement}function n(t){return t&&(t.ownerDocument&&t.ownerDocument.defaultView||t.document&&t||t.defaultView)}function i(t,e){return e>t?-1:t>e?1:t>=e?0:NaN}function o(t){return null===t?NaN:+t}function a(t){return!isNaN(t)}function s(t){return{left:function(e,r,n,i){for(arguments.length<3&&(n=0),arguments.length<4&&(i=e.length);i>n;){var o=n+i>>>1;t(e[o],r)<0?n=o+1:i=o}return n},right:function(e,r,n,i){for(arguments.length<3&&(n=0),arguments.length<4&&(i=e.length);i>n;){var o=n+i>>>1;t(e[o],r)>0?i=o:n=o+1}return n}}}function l(t){return t.length}function u(t){for(var e=1;t*e%1;)e*=10;return e}function c(t,e){for(var r in e)Object.defineProperty(t.prototype,r,{value:e[r],enumerable:!1})}function h(){this._=Object.create(null)}function f(t){return(t+=\"\")===Ma||t[0]===ka?ka+t:t}function d(t){return(t+=\"\")[0]===ka?t.slice(1):t}function p(t){return f(t)in this._}function v(t){return(t=f(t))in this._&&delete this._[t]}function m(){var t=[];for(var e in this._)t.push(d(e));return t}function g(){var t=0;for(var e in this._)++t;return t}function y(){for(var t in this._)return!1;return!0}function b(){this._=Object.create(null)}function x(t){return t}function _(t,e,r){return function(){var n=r.apply(e,arguments);return n===e?t:n}}function w(t,e){if(e in t)return e;e=e.charAt(0).toUpperCase()+e.slice(1);for(var r=0,n=Aa.length;n>r;++r){var i=Aa[r]+e;if(i in t)return i}}function M(){}function k(){}function A(t){function e(){for(var e,n=r,i=-1,o=n.length;++i<o;)(e=n[i].on)&&e.apply(this,arguments);return t}var r=[],n=new h;return e.on=function(e,i){var o,a=n.get(e);return arguments.length<2?a&&a.on:(a&&(a.on=null,r=r.slice(0,o=r.indexOf(a)).concat(r.slice(o+1)),n.remove(e)),i&&r.push(n.set(e,{on:i})),t)},e}function T(){ca.event.preventDefault()}function E(){for(var t,e=ca.event;t=e.sourceEvent;)e=t;return e}function S(t){for(var e=new k,r=0,n=arguments.length;++r<n;)e[arguments[r]]=A(e);return e.of=function(r,n){return function(i){try{var o=i.sourceEvent=ca.event;i.target=t,ca.event=i,e[i.type].apply(r,n)}finally{ca.event=o}}},e}function L(t){return Ea(t,Ia),t}function z(t){return\"function\"==typeof t?t:function(){return Sa(t,this)}}function I(t){return\"function\"==typeof t?t:function(){return La(t,this)}}function P(t,e){function r(){this.removeAttribute(t)}function n(){this.removeAttributeNS(t.space,t.local)}function i(){this.setAttribute(t,e)}function o(){this.setAttributeNS(t.space,t.local,e)}function a(){var r=e.apply(this,arguments);null==r?this.removeAttribute(t):this.setAttribute(t,r)}function s(){var r=e.apply(this,arguments);null==r?this.removeAttributeNS(t.space,t.local):this.setAttributeNS(t.space,t.local,r)}return t=ca.ns.qualify(t),null==e?t.local?n:r:\"function\"==typeof e?t.local?s:a:t.local?o:i}function C(t){return t.trim().replace(/\\s+/g,\" \")}function R(t){return new RegExp(\"(?:^|\\\\s+)\"+ca.requote(t)+\"(?:\\\\s+|$)\",\"g\")}function D(t){return(t+\"\").trim().split(/^|\\s+/)}function O(t,e){function r(){for(var r=-1;++r<i;)t[r](this,e)}function n(){for(var r=-1,n=e.apply(this,arguments);++r<i;)t[r](this,n)}t=D(t).map(F);var i=t.length;return\"function\"==typeof e?n:r}function F(t){var e=R(t);return function(r,n){if(i=r.classList)return n?i.add(t):i.remove(t);var i=r.getAttribute(\"class\")||\"\";n?(e.lastIndex=0,e.test(i)||r.setAttribute(\"class\",C(i+\" \"+t))):r.setAttribute(\"class\",C(i.replace(e,\" \")))}}function j(t,e,r){function n(){this.style.removeProperty(t)}function i(){this.style.setProperty(t,e,r)}function o(){var n=e.apply(this,arguments);null==n?this.style.removeProperty(t):this.style.setProperty(t,n,r)}return null==e?n:\"function\"==typeof e?o:i}function N(t,e){function r(){delete this[t]}function n(){this[t]=e}function i(){var r=e.apply(this,arguments);null==r?delete this[t]:this[t]=r}return null==e?r:\"function\"==typeof e?i:n}function B(t){function e(){var e=this.ownerDocument,r=this.namespaceURI;return r===Pa&&e.documentElement.namespaceURI===Pa?e.createElement(t):e.createElementNS(r,t)}function r(){return this.ownerDocument.createElementNS(t.space,t.local)}return\"function\"==typeof t?t:(t=ca.ns.qualify(t)).local?r:e}function U(){var t=this.parentNode;t&&t.removeChild(this)}function V(t){return{__data__:t}}function q(t){return function(){return za(this,t)}}function G(t){return arguments.length||(t=i),function(e,r){return e&&r?t(e.__data__,r.__data__):!e-!r}}function H(t,e){for(var r=0,n=t.length;n>r;r++)for(var i,o=t[r],a=0,s=o.length;s>a;a++)(i=o[a])&&e(i,a,r);return t}function X(t){return Ea(t,Ra),t}function Y(t){var e,r;return function(n,i,o){var a,s=t[o].update,l=s.length;for(o!=r&&(r=o,e=0),i>=e&&(e=i+1);!(a=s[e])&&++e<l;);return a}}function W(t,e,r){function n(){var e=this[a];e&&(this.removeEventListener(t,e,e.$),delete this[a])}function i(){var i=l(e,fa(arguments));n.call(this),this.addEventListener(t,this[a]=i,i.$=r),i._=e}function o(){var e,r=new RegExp(\"^__on([^.]+)\"+ca.requote(t)+\"$\");for(var n in this)if(e=n.match(r)){var i=this[n];this.removeEventListener(e[1],i,i.$),delete this[n]}}var a=\"__on\"+t,s=t.indexOf(\".\"),l=Z;s>0&&(t=t.slice(0,s));var u=Da.get(t);return u&&(t=u,l=K),s?e?i:n:e?M:o}function Z(t,e){return function(r){var n=ca.event;ca.event=r,e[0]=this.__data__;try{t.apply(this,e)}finally{ca.event=n}}}function K(t,e){var r=Z(t,e);return function(t){var e=this,n=t.relatedTarget;n&&(n===e||8&n.compareDocumentPosition(e))||r.call(e,t)}}function J(t){var r=\".dragsuppress-\"+ ++Fa,i=\"click\"+r,o=ca.select(n(t)).on(\"touchmove\"+r,T).on(\"dragstart\"+r,T).on(\"selectstart\"+r,T);if(null==Oa&&(Oa=\"onselectstart\"in t?!1:w(t.style,\"userSelect\")),Oa){var a=e(t).style,s=a[Oa];a[Oa]=\"none\"}return function(t){if(o.on(r,null),Oa&&(a[Oa]=s),t){var e=function(){o.on(i,null)};o.on(i,function(){T(),e()},!0),setTimeout(e,0)}}}function $(t,e){e.changedTouches&&(e=e.changedTouches[0]);var r=t.ownerSVGElement||t;if(r.createSVGPoint){var i=r.createSVGPoint();if(0>ja){var o=n(t);if(o.scrollX||o.scrollY){r=ca.select(\"body\").append(\"svg\").style({position:\"absolute\",top:0,left:0,margin:0,padding:0,border:\"none\"},\"important\");var a=r[0][0].getScreenCTM();ja=!(a.f||a.e),r.remove()}}return ja?(i.x=e.pageX,i.y=e.pageY):(i.x=e.clientX,i.y=e.clientY),i=i.matrixTransform(t.getScreenCTM().inverse()),[i.x,i.y]}var s=t.getBoundingClientRect();return[e.clientX-s.left-t.clientLeft,e.clientY-s.top-t.clientTop]}function Q(){return ca.event.changedTouches[0].identifier}function tt(t){return t>0?1:0>t?-1:0}function et(t,e,r){return(e[0]-t[0])*(r[1]-t[1])-(e[1]-t[1])*(r[0]-t[0])}function rt(t){return t>1?0:-1>t?Ua:Math.acos(t)}function nt(t){return t>1?Ga:-1>t?-Ga:Math.asin(t)}function it(t){return((t=Math.exp(t))-1/t)/2}function ot(t){return((t=Math.exp(t))+1/t)/2}function at(t){return((t=Math.exp(2*t))-1)/(t+1)}function st(t){return(t=Math.sin(t/2))*t}function lt(){}function ut(t,e,r){return this instanceof ut?(this.h=+t,this.s=+e,void(this.l=+r)):arguments.length<2?t instanceof ut?new ut(t.h,t.s,t.l):Mt(\"\"+t,kt,ut):new ut(t,e,r)}function ct(t,e,r){function n(t){return t>360?t-=360:0>t&&(t+=360),60>t?o+(a-o)*t/60:180>t?a:240>t?o+(a-o)*(240-t)/60:o}function i(t){return Math.round(255*n(t))}var o,a;return t=isNaN(t)?0:(t%=360)<0?t+360:t,e=isNaN(e)?0:0>e?0:e>1?1:e,r=0>r?0:r>1?1:r,a=.5>=r?r*(1+e):r+e-r*e,o=2*r-a,new bt(i(t+120),i(t),i(t-120))}function ht(t,e,r){return this instanceof ht?(this.h=+t,this.c=+e,void(this.l=+r)):arguments.length<2?t instanceof ht?new ht(t.h,t.c,t.l):t instanceof dt?vt(t.l,t.a,t.b):vt((t=At((t=ca.rgb(t)).r,t.g,t.b)).l,t.a,t.b):new ht(t,e,r)}function ft(t,e,r){return isNaN(t)&&(t=0),isNaN(e)&&(e=0),new dt(r,Math.cos(t*=Ha)*e,Math.sin(t)*e)}function dt(t,e,r){return this instanceof dt?(this.l=+t,this.a=+e,void(this.b=+r)):arguments.length<2?t instanceof dt?new dt(t.l,t.a,t.b):t instanceof ht?ft(t.h,t.c,t.l):At((t=bt(t)).r,t.g,t.b):new dt(t,e,r)}function pt(t,e,r){var n=(t+16)/116,i=n+e/500,o=n-r/200;return i=mt(i)*rs,n=mt(n)*ns,o=mt(o)*is,new bt(yt(3.2404542*i-1.5371385*n-.4985314*o),yt(-.969266*i+1.8760108*n+.041556*o),yt(.0556434*i-.2040259*n+1.0572252*o))}function vt(t,e,r){return t>0?new ht(Math.atan2(r,e)*Xa,Math.sqrt(e*e+r*r),t):new ht(NaN,NaN,t)}function mt(t){return t>.206893034?t*t*t:(t-4/29)/7.787037}function gt(t){return t>.008856?Math.pow(t,1/3):7.787037*t+4/29}function yt(t){return Math.round(255*(.00304>=t?12.92*t:1.055*Math.pow(t,1/2.4)-.055))}function bt(t,e,r){return this instanceof bt?(this.r=~~t,this.g=~~e,void(this.b=~~r)):arguments.length<2?t instanceof bt?new bt(t.r,t.g,t.b):Mt(\"\"+t,bt,ct):new bt(t,e,r)}function xt(t){return new bt(t>>16,t>>8&255,255&t)}function _t(t){return xt(t)+\"\"}function wt(t){return 16>t?\"0\"+Math.max(0,t).toString(16):Math.min(255,t).toString(16)}function Mt(t,e,r){var n,i,o,a=0,s=0,l=0;if(n=/([a-z]+)\\((.*)\\)/.exec(t=t.toLowerCase()))switch(i=n[2].split(\",\"),n[1]){case\"hsl\":return r(parseFloat(i[0]),parseFloat(i[1])/100,parseFloat(i[2])/100);case\"rgb\":return e(Et(i[0]),Et(i[1]),Et(i[2]))}return(o=ss.get(t))?e(o.r,o.g,o.b):(null==t||\"#\"!==t.charAt(0)||isNaN(o=parseInt(t.slice(1),16))||(4===t.length?(a=(3840&o)>>4,a=a>>4|a,s=240&o,s=s>>4|s,l=15&o,l=l<<4|l):7===t.length&&(a=(16711680&o)>>16,s=(65280&o)>>8,l=255&o)),e(a,s,l))}function kt(t,e,r){var n,i,o=Math.min(t/=255,e/=255,r/=255),a=Math.max(t,e,r),s=a-o,l=(a+o)/2;return s?(i=.5>l?s/(a+o):s/(2-a-o),n=t==a?(e-r)/s+(r>e?6:0):e==a?(r-t)/s+2:(t-e)/s+4,n*=60):(n=NaN,i=l>0&&1>l?0:n),new ut(n,i,l)}function At(t,e,r){t=Tt(t),e=Tt(e),r=Tt(r);var n=gt((.4124564*t+.3575761*e+.1804375*r)/rs),i=gt((.2126729*t+.7151522*e+.072175*r)/ns),o=gt((.0193339*t+.119192*e+.9503041*r)/is);return dt(116*i-16,500*(n-i),200*(i-o))}function Tt(t){return(t/=255)<=.04045?t/12.92:Math.pow((t+.055)/1.055,2.4)}function Et(t){var e=parseFloat(t);return\"%\"===t.charAt(t.length-1)?Math.round(2.55*e):e}function St(t){return\"function\"==typeof t?t:function(){return t}}function Lt(t){return function(e,r,n){return 2===arguments.length&&\"function\"==typeof r&&(n=r,r=null),zt(e,r,t,n)}}function zt(t,e,r,n){function i(){var t,e=l.status;if(!e&&Pt(l)||e>=200&&300>e||304===e){try{t=r.call(o,l)}catch(n){return void a.error.call(o,n)}a.load.call(o,t)}else a.error.call(o,l)}var o={},a=ca.dispatch(\"beforesend\",\"progress\",\"load\",\"error\"),s={},l=new XMLHttpRequest,u=null;return!this.XDomainRequest||\"withCredentials\"in l||!/^(http(s)?:)?\\/\\//.test(t)||(l=new XDomainRequest),\"onload\"in l?l.onload=l.onerror=i:l.onreadystatechange=function(){l.readyState>3&&i()},l.onprogress=function(t){var e=ca.event;ca.event=t;try{a.progress.call(o,l)}finally{ca.event=e}},o.header=function(t,e){return t=(t+\"\").toLowerCase(),arguments.length<2?s[t]:(null==e?delete s[t]:s[t]=e+\"\",o)},o.mimeType=function(t){return arguments.length?(e=null==t?null:t+\"\",o):e},o.responseType=function(t){return arguments.length?(u=t,o):u},o.response=function(t){return r=t,o},[\"get\",\"post\"].forEach(function(t){o[t]=function(){return o.send.apply(o,[t].concat(fa(arguments)))}}),o.send=function(r,n,i){if(2===arguments.length&&\"function\"==typeof n&&(i=n,n=null),l.open(r,t,!0),null==e||\"accept\"in s||(s.accept=e+\",*/*\"),l.setRequestHeader)for(var c in s)l.setRequestHeader(c,s[c]);return null!=e&&l.overrideMimeType&&l.overrideMimeType(e),null!=u&&(l.responseType=u),null!=i&&o.on(\"error\",i).on(\"load\",function(t){i(null,t)}),a.beforesend.call(o,l),l.send(null==n?null:n),o},o.abort=function(){return l.abort(),o},ca.rebind(o,a,\"on\"),null==n?o:o.get(It(n))}function It(t){return 1===t.length?function(e,r){t(null==e?r:null)}:t}function Pt(t){var e=t.responseType;return e&&\"text\"!==e?t.response:t.responseText}function Ct(t,e,r){var n=arguments.length;2>n&&(e=0),3>n&&(r=Date.now());var i=r+e,o={c:t,t:i,n:null};return us?us.n=o:ls=o,us=o,cs||(hs=clearTimeout(hs),cs=1,fs(Rt)),o}function Rt(){var t=Dt(),e=Ot()-t;e>24?(isFinite(e)&&(clearTimeout(hs),hs=setTimeout(Rt,e)),cs=0):(cs=1,fs(Rt))}function Dt(){for(var t=Date.now(),e=ls;e;)t>=e.t&&e.c(t-e.t)&&(e.c=null),e=e.n;return t}function Ot(){for(var t,e=ls,r=1/0;e;)e.c?(e.t<r&&(r=e.t),e=(t=e).n):e=t?t.n=e.n:ls=e.n;return us=t,r}function Ft(t,e){return e-(t?Math.ceil(Math.log(t)/Math.LN10):1)}function jt(t,e){var r=Math.pow(10,3*wa(8-e));return{scale:e>8?function(t){return t/r}:function(t){return t*r},symbol:t}}function Nt(t){var e=t.decimal,r=t.thousands,n=t.grouping,i=t.currency,o=n&&r?function(t,e){for(var i=t.length,o=[],a=0,s=n[0],l=0;i>0&&s>0&&(l+s+1>e&&(s=Math.max(1,e-l)),o.push(t.substring(i-=s,i+s)),!((l+=s+1)>e));)s=n[a=(a+1)%n.length];return o.reverse().join(r)}:x;return function(t){var r=ps.exec(t),n=r[1]||\" \",a=r[2]||\">\",s=r[3]||\"-\",l=r[4]||\"\",u=r[5],c=+r[6],h=r[7],f=r[8],d=r[9],p=1,v=\"\",m=\"\",g=!1,y=!0;switch(f&&(f=+f.substring(1)),(u||\"0\"===n&&\"=\"===a)&&(u=n=\"0\",a=\"=\"),d){case\"n\":h=!0,d=\"g\";break;case\"%\":p=100,m=\"%\",d=\"f\";break;case\"p\":p=100,m=\"%\",d=\"r\";break;case\"b\":case\"o\":case\"x\":case\"X\":\"#\"===l&&(v=\"0\"+d.toLowerCase());case\"c\":y=!1;case\"d\":g=!0,f=0;break;case\"s\":p=-1,d=\"r\"}\"$\"===l&&(v=i[0],m=i[1]),\"r\"!=d||f||(d=\"g\"),null!=f&&(\"g\"==d?f=Math.max(1,Math.min(21,f)):\"e\"!=d&&\"f\"!=d||(f=Math.max(0,Math.min(20,f)))),d=vs.get(d)||Bt;var b=u&&h;return function(t){var r=m;if(g&&t%1)return\"\";var i=0>t||0===t&&0>1/t?(t=-t,\"-\"):\"-\"===s?\"\":s;if(0>p){var l=ca.formatPrefix(t,f);t=l.scale(t),r=l.symbol+m}else t*=p;t=d(t,f);var x,_,w=t.lastIndexOf(\".\");if(0>w){var M=y?t.lastIndexOf(\"e\"):-1;0>M?(x=t,_=\"\"):(x=t.substring(0,M),_=t.substring(M))}else x=t.substring(0,w),_=e+t.substring(w+1);!u&&h&&(x=o(x,1/0));var k=v.length+x.length+_.length+(b?0:i.length),A=c>k?new Array(k=c-k+1).join(n):\"\";return b&&(x=o(A+x,A.length?c-_.length:1/0)),i+=v,t=x+_,(\"<\"===a?i+t+A:\">\"===a?A+i+t:\"^\"===a?A.substring(0,k>>=1)+i+t+A.substring(k):i+(b?t:A+t))+r}}}function Bt(t){return t+\"\"}function Ut(){this._=new Date(arguments.length>1?Date.UTC.apply(this,arguments):arguments[0])}function Vt(t,e,r){function n(e){var r=t(e),n=o(r,1);return n-e>e-r?r:n}function i(r){return e(r=t(new gs(r-1)),1),r}function o(t,r){return e(t=new gs(+t),r),t}function a(t,n,o){var a=i(t),s=[];if(o>1)for(;n>a;)r(a)%o||s.push(new Date(+a)),e(a,1);else for(;n>a;)s.push(new Date(+a)),e(a,1);return s}function s(t,e,r){try{gs=Ut;var n=new Ut;return n._=t,a(n,e,r)}finally{gs=Date}}t.floor=t,t.round=n,t.ceil=i,t.offset=o,t.range=a;var l=t.utc=qt(t);return l.floor=l,l.round=qt(n),l.ceil=qt(i),l.offset=qt(o),l.range=s,t}function qt(t){return function(e,r){try{gs=Ut;var n=new Ut;return n._=e,t(n,r)._}finally{gs=Date}}}function Gt(t){function e(t){function e(e){for(var r,i,o,a=[],s=-1,l=0;++s<n;)37===t.charCodeAt(s)&&(a.push(t.slice(l,s)),null!=(i=bs[r=t.charAt(++s)])&&(r=t.charAt(++s)),(o=S[r])&&(r=o(e,null==i?\"e\"===r?\" \":\"0\":i)),a.push(r),l=s+1);return a.push(t.slice(l,s)),a.join(\"\")}var n=t.length;return e.parse=function(e){var n={y:1900,m:0,d:1,H:0,M:0,S:0,L:0,Z:null},i=r(n,t,e,0);if(i!=e.length)return null;\"p\"in n&&(n.H=n.H%12+12*n.p);var o=null!=n.Z&&gs!==Ut,a=new(o?Ut:gs);return\"j\"in n?a.setFullYear(n.y,0,n.j):\"W\"in n||\"U\"in n?(\"w\"in n||(n.w=\"W\"in n?1:0),a.setFullYear(n.y,0,1),a.setFullYear(n.y,0,\"W\"in n?(n.w+6)%7+7*n.W-(a.getDay()+5)%7:n.w+7*n.U-(a.getDay()+6)%7)):a.setFullYear(n.y,n.m,n.d),a.setHours(n.H+(n.Z/100|0),n.M+n.Z%100,n.S,n.L),o?a._:a},e.toString=function(){return t},e}function r(t,e,r,n){for(var i,o,a,s=0,l=e.length,u=r.length;l>s;){if(n>=u)return-1;if(i=e.charCodeAt(s++),37===i){if(a=e.charAt(s++),o=L[a in bs?e.charAt(s++):a],!o||(n=o(t,r,n))<0)return-1}else if(i!=r.charCodeAt(n++))return-1}return n}function n(t,e,r){w.lastIndex=0;var n=w.exec(e.slice(r));return n?(t.w=M.get(n[0].toLowerCase()),r+n[0].length):-1}function i(t,e,r){x.lastIndex=0;var n=x.exec(e.slice(r));return n?(t.w=_.get(n[0].toLowerCase()),r+n[0].length):-1}function o(t,e,r){T.lastIndex=0;var n=T.exec(e.slice(r));return n?(t.m=E.get(n[0].toLowerCase()),r+n[0].length):-1}function a(t,e,r){k.lastIndex=0;var n=k.exec(e.slice(r));return n?(t.m=A.get(n[0].toLowerCase()),r+n[0].length):-1}function s(t,e,n){return r(t,S.c.toString(),e,n)}function l(t,e,n){return r(t,S.x.toString(),e,n)}function u(t,e,n){return r(t,S.X.toString(),e,n)}function c(t,e,r){var n=b.get(e.slice(r,r+=2).toLowerCase());return null==n?-1:(t.p=n,r)}var h=t.dateTime,f=t.date,d=t.time,p=t.periods,v=t.days,m=t.shortDays,g=t.months,y=t.shortMonths;e.utc=function(t){function r(t){try{gs=Ut;var e=new gs;return e._=t,n(e)}finally{gs=Date}}var n=e(t);return r.parse=function(t){try{gs=Ut;var e=n.parse(t);return e&&e._}finally{gs=Date}},r.toString=n.toString,r},e.multi=e.utc.multi=ce;var b=ca.map(),x=Xt(v),_=Yt(v),w=Xt(m),M=Yt(m),k=Xt(g),A=Yt(g),T=Xt(y),E=Yt(y);p.forEach(function(t,e){b.set(t.toLowerCase(),e)});var S={a:function(t){return m[t.getDay()]},A:function(t){return v[t.getDay()]},b:function(t){return y[t.getMonth()]},B:function(t){return g[t.getMonth()]},c:e(h),d:function(t,e){return Ht(t.getDate(),e,2)},e:function(t,e){return Ht(t.getDate(),e,2)},H:function(t,e){return Ht(t.getHours(),e,2)},I:function(t,e){return Ht(t.getHours()%12||12,e,2)},j:function(t,e){return Ht(1+ms.dayOfYear(t),e,3)},L:function(t,e){return Ht(t.getMilliseconds(),e,3)},m:function(t,e){return Ht(t.getMonth()+1,e,2)},M:function(t,e){return Ht(t.getMinutes(),e,2)},p:function(t){return p[+(t.getHours()>=12)]},S:function(t,e){return Ht(t.getSeconds(),e,2)},U:function(t,e){return Ht(ms.sundayOfYear(t),e,2)},w:function(t){return t.getDay()},W:function(t,e){return Ht(ms.mondayOfYear(t),e,2)},x:e(f),X:e(d),y:function(t,e){return Ht(t.getFullYear()%100,e,2)},Y:function(t,e){return Ht(t.getFullYear()%1e4,e,4)},Z:le,\"%\":function(){return\"%\"}},L={a:n,A:i,b:o,B:a,c:s,d:re,e:re,H:ie,I:ie,j:ne,L:se,m:ee,M:oe,p:c,S:ae,U:Zt,w:Wt,W:Kt,x:l,X:u,y:$t,Y:Jt,Z:Qt,\"%\":ue};return e}function Ht(t,e,r){var n=0>t?\"-\":\"\",i=(n?-t:t)+\"\",o=i.length;return n+(r>o?new Array(r-o+1).join(e)+i:i)}function Xt(t){return new RegExp(\"^(?:\"+t.map(ca.requote).join(\"|\")+\")\",\"i\")}function Yt(t){for(var e=new h,r=-1,n=t.length;++r<n;)e.set(t[r].toLowerCase(),r);return e}function Wt(t,e,r){xs.lastIndex=0;var n=xs.exec(e.slice(r,r+1));return n?(t.w=+n[0],r+n[0].length):-1}function Zt(t,e,r){xs.lastIndex=0;var n=xs.exec(e.slice(r));return n?(t.U=+n[0],r+n[0].length):-1}function Kt(t,e,r){xs.lastIndex=0;var n=xs.exec(e.slice(r));return n?(t.W=+n[0],r+n[0].length):-1}function Jt(t,e,r){xs.lastIndex=0;var n=xs.exec(e.slice(r,r+4));return n?(t.y=+n[0],r+n[0].length):-1}function $t(t,e,r){xs.lastIndex=0;var n=xs.exec(e.slice(r,r+2));return n?(t.y=te(+n[0]),r+n[0].length):-1}function Qt(t,e,r){return/^[+-]\\d{4}$/.test(e=e.slice(r,r+5))?(t.Z=-e,r+5):-1}function te(t){return t+(t>68?1900:2e3)}function ee(t,e,r){xs.lastIndex=0;var n=xs.exec(e.slice(r,r+2));return n?(t.m=n[0]-1,r+n[0].length):-1}function re(t,e,r){xs.lastIndex=0;var n=xs.exec(e.slice(r,r+2));return n?(t.d=+n[0],r+n[0].length):-1}function ne(t,e,r){xs.lastIndex=0;var n=xs.exec(e.slice(r,r+3));return n?(t.j=+n[0],r+n[0].length):-1}function ie(t,e,r){xs.lastIndex=0;var n=xs.exec(e.slice(r,r+2));return n?(t.H=+n[0],r+n[0].length):-1}function oe(t,e,r){xs.lastIndex=0;var n=xs.exec(e.slice(r,r+2));return n?(t.M=+n[0],r+n[0].length):-1}function ae(t,e,r){xs.lastIndex=0;var n=xs.exec(e.slice(r,r+2));return n?(t.S=+n[0],r+n[0].length):-1}function se(t,e,r){xs.lastIndex=0;var n=xs.exec(e.slice(r,r+3));return n?(t.L=+n[0],r+n[0].length):-1}function le(t){var e=t.getTimezoneOffset(),r=e>0?\"-\":\"+\",n=wa(e)/60|0,i=wa(e)%60;return r+Ht(n,\"0\",2)+Ht(i,\"0\",2)}function ue(t,e,r){_s.lastIndex=0;var n=_s.exec(e.slice(r,r+1));return n?r+n[0].length:-1}function ce(t){for(var e=t.length,r=-1;++r<e;)t[r][0]=this(t[r][0]);return function(e){for(var r=0,n=t[r];!n[1](e);)n=t[++r];return n[0](e)}}function he(){}function fe(t,e,r){var n=r.s=t+e,i=n-t,o=n-i;r.t=t-o+(e-i)}function de(t,e){t&&As.hasOwnProperty(t.type)&&As[t.type](t,e)}function pe(t,e,r){var n,i=-1,o=t.length-r;for(e.lineStart();++i<o;)n=t[i],e.point(n[0],n[1],n[2]);e.lineEnd()}function ve(t,e){var r=-1,n=t.length;for(e.polygonStart();++r<n;)pe(t[r],e,1);e.polygonEnd()}function me(){function t(t,e){t*=Ha,e=e*Ha/2+Ua/4;var r=t-n,a=r>=0?1:-1,s=a*r,l=Math.cos(e),u=Math.sin(e),c=o*u,h=i*l+c*Math.cos(s),f=c*a*Math.sin(s);Es.add(Math.atan2(f,h)),n=t,i=l,o=u}var e,r,n,i,o;Ss.point=function(a,s){Ss.point=t,n=(e=a)*Ha,i=Math.cos(s=(r=s)*Ha/2+Ua/4),o=Math.sin(s)},Ss.lineEnd=function(){t(e,r)}}function ge(t){var e=t[0],r=t[1],n=Math.cos(r);return[n*Math.cos(e),n*Math.sin(e),Math.sin(r)]}function ye(t,e){return t[0]*e[0]+t[1]*e[1]+t[2]*e[2]}function be(t,e){return[t[1]*e[2]-t[2]*e[1],t[2]*e[0]-t[0]*e[2],t[0]*e[1]-t[1]*e[0]]}function xe(t,e){t[0]+=e[0],t[1]+=e[1],t[2]+=e[2]}function _e(t,e){return[t[0]*e,t[1]*e,t[2]*e]}function we(t){var e=Math.sqrt(t[0]*t[0]+t[1]*t[1]+t[2]*t[2]);t[0]/=e,t[1]/=e,t[2]/=e}function Me(t){return[Math.atan2(t[1],t[0]),nt(t[2])]}function ke(t,e){return wa(t[0]-e[0])<Na&&wa(t[1]-e[1])<Na}function Ae(t,e){t*=Ha;var r=Math.cos(e*=Ha);Te(r*Math.cos(t),r*Math.sin(t),Math.sin(e))}function Te(t,e,r){++Ls,Is+=(t-Is)/Ls,Ps+=(e-Ps)/Ls,Cs+=(r-Cs)/Ls}function Ee(){function t(t,i){t*=Ha;var o=Math.cos(i*=Ha),a=o*Math.cos(t),s=o*Math.sin(t),l=Math.sin(i),u=Math.atan2(Math.sqrt((u=r*l-n*s)*u+(u=n*a-e*l)*u+(u=e*s-r*a)*u),e*a+r*s+n*l);zs+=u,Rs+=u*(e+(e=a)),Ds+=u*(r+(r=s)),Os+=u*(n+(n=l)),Te(e,r,n)}var e,r,n;Bs.point=function(i,o){i*=Ha;var a=Math.cos(o*=Ha);e=a*Math.cos(i),r=a*Math.sin(i),n=Math.sin(o),Bs.point=t,Te(e,r,n)}}function Se(){Bs.point=Ae}function Le(){function t(t,e){t*=Ha;var r=Math.cos(e*=Ha),a=r*Math.cos(t),s=r*Math.sin(t),l=Math.sin(e),u=i*l-o*s,c=o*a-n*l,h=n*s-i*a,f=Math.sqrt(u*u+c*c+h*h),d=n*a+i*s+o*l,p=f&&-rt(d)/f,v=Math.atan2(f,d);Fs+=p*u,js+=p*c,Ns+=p*h,zs+=v,Rs+=v*(n+(n=a)),Ds+=v*(i+(i=s)),Os+=v*(o+(o=l)),Te(n,i,o)}var e,r,n,i,o;Bs.point=function(a,s){e=a,r=s,Bs.point=t,a*=Ha;var l=Math.cos(s*=Ha);n=l*Math.cos(a),i=l*Math.sin(a),o=Math.sin(s),Te(n,i,o)},Bs.lineEnd=function(){t(e,r),Bs.lineEnd=Se,Bs.point=Ae}}function ze(t,e){function r(r,n){return r=t(r,n),e(r[0],r[1])}return t.invert&&e.invert&&(r.invert=function(r,n){return r=e.invert(r,n),r&&t.invert(r[0],r[1])}),r}function Ie(){return!0}function Pe(t,e,r,n,i){var o=[],a=[];if(t.forEach(function(t){if(!((e=t.length-1)<=0)){var e,r=t[0],n=t[e];if(ke(r,n)){i.lineStart();for(var s=0;e>s;++s)i.point((r=t[s])[0],r[1]);return void i.lineEnd()}var l=new Re(r,t,null,!0),u=new Re(r,null,l,!1);l.o=u,o.push(l),a.push(u),l=new Re(n,t,null,!1),u=new Re(n,null,l,!0),l.o=u,o.push(l),a.push(u)}}),a.sort(e),Ce(o),Ce(a),o.length){for(var s=0,l=r,u=a.length;u>s;++s)a[s].e=l=!l;for(var c,h,f=o[0];;){for(var d=f,p=!0;d.v;)if((d=d.n)===f)return;c=d.z,i.lineStart();do{if(d.v=d.o.v=!0,d.e){if(p)for(var s=0,u=c.length;u>s;++s)i.point((h=c[s])[0],h[1]);else n(d.x,d.n.x,1,i);d=d.n}else{if(p){c=d.p.z;for(var s=c.length-1;s>=0;--s)i.point((h=c[s])[0],h[1])}else n(d.x,d.p.x,-1,i);d=d.p}d=d.o,c=d.z,p=!p}while(!d.v);i.lineEnd()}}}function Ce(t){if(e=t.length){for(var e,r,n=0,i=t[0];++n<e;)i.n=r=t[n],r.p=i,i=r;i.n=r=t[0],r.p=i}}function Re(t,e,r,n){this.x=t,this.z=e,this.o=r,this.e=n,this.v=!1,this.n=this.p=null}function De(t,e,r,n){return function(i,o){function a(e,r){var n=i(e,r);t(e=n[0],r=n[1])&&o.point(e,r)}function s(t,e){var r=i(t,e);m.point(r[0],r[1])}function l(){y.point=s,m.lineStart()}function u(){y.point=a,m.lineEnd()}function c(t,e){v.push([t,e]);var r=i(t,e);x.point(r[0],r[1])}function h(){x.lineStart(),v=[]}function f(){c(v[0][0],v[0][1]),x.lineEnd();var t,e=x.clean(),r=b.buffer(),n=r.length;if(v.pop(),p.push(v),v=null,n)if(1&e){t=r[0];var i,n=t.length-1,a=-1;if(n>0){for(_||(o.polygonStart(),_=!0),o.lineStart();++a<n;)o.point((i=t[a])[0],i[1]);o.lineEnd()}}else n>1&&2&e&&r.push(r.pop().concat(r.shift())),d.push(r.filter(Oe))}var d,p,v,m=e(o),g=i.invert(n[0],n[1]),y={point:a,lineStart:l,lineEnd:u,polygonStart:function(){y.point=c,y.lineStart=h,y.lineEnd=f,d=[],p=[]},polygonEnd:function(){y.point=a,y.lineStart=l,y.lineEnd=u,d=ca.merge(d);var t=Ve(g,p);d.length?(_||(o.polygonStart(),_=!0),Pe(d,je,t,r,o)):t&&(_||(o.polygonStart(),_=!0),o.lineStart(),r(null,null,1,o),o.lineEnd()),_&&(o.polygonEnd(),_=!1),d=p=null},sphere:function(){o.polygonStart(),o.lineStart(),r(null,null,1,o),o.lineEnd(),o.polygonEnd()}},b=Fe(),x=e(b),_=!1;return y}}function Oe(t){return t.length>1}function Fe(){var t,e=[];return{lineStart:function(){e.push(t=[])},point:function(e,r){t.push([e,r])},lineEnd:M,buffer:function(){var r=e;return e=[],\nt=null,r},rejoin:function(){e.length>1&&e.push(e.pop().concat(e.shift()))}}}function je(t,e){return((t=t.x)[0]<0?t[1]-Ga-Na:Ga-t[1])-((e=e.x)[0]<0?e[1]-Ga-Na:Ga-e[1])}function Ne(t){var e,r=NaN,n=NaN,i=NaN;return{lineStart:function(){t.lineStart(),e=1},point:function(o,a){var s=o>0?Ua:-Ua,l=wa(o-r);wa(l-Ua)<Na?(t.point(r,n=(n+a)/2>0?Ga:-Ga),t.point(i,n),t.lineEnd(),t.lineStart(),t.point(s,n),t.point(o,n),e=0):i!==s&&l>=Ua&&(wa(r-i)<Na&&(r-=i*Na),wa(o-s)<Na&&(o-=s*Na),n=Be(r,n,o,a),t.point(i,n),t.lineEnd(),t.lineStart(),t.point(s,n),e=0),t.point(r=o,n=a),i=s},lineEnd:function(){t.lineEnd(),r=n=NaN},clean:function(){return 2-e}}}function Be(t,e,r,n){var i,o,a=Math.sin(t-r);return wa(a)>Na?Math.atan((Math.sin(e)*(o=Math.cos(n))*Math.sin(r)-Math.sin(n)*(i=Math.cos(e))*Math.sin(t))/(i*o*a)):(e+n)/2}function Ue(t,e,r,n){var i;if(null==t)i=r*Ga,n.point(-Ua,i),n.point(0,i),n.point(Ua,i),n.point(Ua,0),n.point(Ua,-i),n.point(0,-i),n.point(-Ua,-i),n.point(-Ua,0),n.point(-Ua,i);else if(wa(t[0]-e[0])>Na){var o=t[0]<e[0]?Ua:-Ua;i=r*o/2,n.point(-o,i),n.point(0,i),n.point(o,i)}else n.point(e[0],e[1])}function Ve(t,e){var r=t[0],n=t[1],i=[Math.sin(r),-Math.cos(r),0],o=0,a=0;Es.reset();for(var s=0,l=e.length;l>s;++s){var u=e[s],c=u.length;if(c)for(var h=u[0],f=h[0],d=h[1]/2+Ua/4,p=Math.sin(d),v=Math.cos(d),m=1;;){m===c&&(m=0),t=u[m];var g=t[0],y=t[1]/2+Ua/4,b=Math.sin(y),x=Math.cos(y),_=g-f,w=_>=0?1:-1,M=w*_,k=M>Ua,A=p*b;if(Es.add(Math.atan2(A*w*Math.sin(M),v*x+A*Math.cos(M))),o+=k?_+w*Va:_,k^f>=r^g>=r){var T=be(ge(h),ge(t));we(T);var E=be(i,T);we(E);var S=(k^_>=0?-1:1)*nt(E[2]);(n>S||n===S&&(T[0]||T[1]))&&(a+=k^_>=0?1:-1)}if(!m++)break;f=g,p=b,v=x,h=t}}return(-Na>o||Na>o&&0>Es)^1&a}function qe(t){function e(t,e){return Math.cos(t)*Math.cos(e)>o}function r(t){var r,o,l,u,c;return{lineStart:function(){u=l=!1,c=1},point:function(h,f){var d,p=[h,f],v=e(h,f),m=a?v?0:i(h,f):v?i(h+(0>h?Ua:-Ua),f):0;if(!r&&(u=l=v)&&t.lineStart(),v!==l&&(d=n(r,p),(ke(r,d)||ke(p,d))&&(p[0]+=Na,p[1]+=Na,v=e(p[0],p[1]))),v!==l)c=0,v?(t.lineStart(),d=n(p,r),t.point(d[0],d[1])):(d=n(r,p),t.point(d[0],d[1]),t.lineEnd()),r=d;else if(s&&r&&a^v){var g;m&o||!(g=n(p,r,!0))||(c=0,a?(t.lineStart(),t.point(g[0][0],g[0][1]),t.point(g[1][0],g[1][1]),t.lineEnd()):(t.point(g[1][0],g[1][1]),t.lineEnd(),t.lineStart(),t.point(g[0][0],g[0][1])))}!v||r&&ke(r,p)||t.point(p[0],p[1]),r=p,l=v,o=m},lineEnd:function(){l&&t.lineEnd(),r=null},clean:function(){return c|(u&&l)<<1}}}function n(t,e,r){var n=ge(t),i=ge(e),a=[1,0,0],s=be(n,i),l=ye(s,s),u=s[0],c=l-u*u;if(!c)return!r&&t;var h=o*l/c,f=-o*u/c,d=be(a,s),p=_e(a,h),v=_e(s,f);xe(p,v);var m=d,g=ye(p,m),y=ye(m,m),b=g*g-y*(ye(p,p)-1);if(!(0>b)){var x=Math.sqrt(b),_=_e(m,(-g-x)/y);if(xe(_,p),_=Me(_),!r)return _;var w,M=t[0],k=e[0],A=t[1],T=e[1];M>k&&(w=M,M=k,k=w);var E=k-M,S=wa(E-Ua)<Na,L=S||Na>E;if(!S&&A>T&&(w=A,A=T,T=w),L?S?A+T>0^_[1]<(wa(_[0]-M)<Na?A:T):A<=_[1]&&_[1]<=T:E>Ua^(M<=_[0]&&_[0]<=k)){var z=_e(m,(-g+x)/y);return xe(z,p),[_,Me(z)]}}}function i(e,r){var n=a?t:Ua-t,i=0;return-n>e?i|=1:e>n&&(i|=2),-n>r?i|=4:r>n&&(i|=8),i}var o=Math.cos(t),a=o>0,s=wa(o)>Na,l=mr(t,6*Ha);return De(e,r,l,a?[0,-t]:[-Ua,t-Ua])}function Ge(t,e,r,n){return function(i){var o,a=i.a,s=i.b,l=a.x,u=a.y,c=s.x,h=s.y,f=0,d=1,p=c-l,v=h-u;if(o=t-l,p||!(o>0)){if(o/=p,0>p){if(f>o)return;d>o&&(d=o)}else if(p>0){if(o>d)return;o>f&&(f=o)}if(o=r-l,p||!(0>o)){if(o/=p,0>p){if(o>d)return;o>f&&(f=o)}else if(p>0){if(f>o)return;d>o&&(d=o)}if(o=e-u,v||!(o>0)){if(o/=v,0>v){if(f>o)return;d>o&&(d=o)}else if(v>0){if(o>d)return;o>f&&(f=o)}if(o=n-u,v||!(0>o)){if(o/=v,0>v){if(o>d)return;o>f&&(f=o)}else if(v>0){if(f>o)return;d>o&&(d=o)}return f>0&&(i.a={x:l+f*p,y:u+f*v}),1>d&&(i.b={x:l+d*p,y:u+d*v}),i}}}}}}function He(t,e,r,n){function i(n,i){return wa(n[0]-t)<Na?i>0?0:3:wa(n[0]-r)<Na?i>0?2:1:wa(n[1]-e)<Na?i>0?1:0:i>0?3:2}function o(t,e){return a(t.x,e.x)}function a(t,e){var r=i(t,1),n=i(e,1);return r!==n?r-n:0===r?e[1]-t[1]:1===r?t[0]-e[0]:2===r?t[1]-e[1]:e[0]-t[0]}return function(s){function l(t){for(var e=0,r=m.length,n=t[1],i=0;r>i;++i)for(var o,a=1,s=m[i],l=s.length,u=s[0];l>a;++a)o=s[a],u[1]<=n?o[1]>n&&et(u,o,t)>0&&++e:o[1]<=n&&et(u,o,t)<0&&--e,u=o;return 0!==e}function u(o,s,l,u){var c=0,h=0;if(null==o||(c=i(o,l))!==(h=i(s,l))||a(o,s)<0^l>0){do u.point(0===c||3===c?t:r,c>1?n:e);while((c=(c+l+4)%4)!==h)}else u.point(s[0],s[1])}function c(i,o){return i>=t&&r>=i&&o>=e&&n>=o}function h(t,e){c(t,e)&&s.point(t,e)}function f(){L.point=p,m&&m.push(g=[]),k=!0,M=!1,_=w=NaN}function d(){v&&(p(y,b),x&&M&&E.rejoin(),v.push(E.buffer())),L.point=h,M&&s.lineEnd()}function p(t,e){t=Math.max(-Vs,Math.min(Vs,t)),e=Math.max(-Vs,Math.min(Vs,e));var r=c(t,e);if(m&&g.push([t,e]),k)y=t,b=e,x=r,k=!1,r&&(s.lineStart(),s.point(t,e));else if(r&&M)s.point(t,e);else{var n={a:{x:_,y:w},b:{x:t,y:e}};S(n)?(M||(s.lineStart(),s.point(n.a.x,n.a.y)),s.point(n.b.x,n.b.y),r||s.lineEnd(),A=!1):r&&(s.lineStart(),s.point(t,e),A=!1)}_=t,w=e,M=r}var v,m,g,y,b,x,_,w,M,k,A,T=s,E=Fe(),S=Ge(t,e,r,n),L={point:h,lineStart:f,lineEnd:d,polygonStart:function(){s=E,v=[],m=[],A=!0},polygonEnd:function(){s=T,v=ca.merge(v);var e=l([t,n]),r=A&&e,i=v.length;(r||i)&&(s.polygonStart(),r&&(s.lineStart(),u(null,null,1,s),s.lineEnd()),i&&Pe(v,o,e,u,s),s.polygonEnd()),v=m=g=null}};return L}}function Xe(t){var e=0,r=Ua/3,n=lr(t),i=n(e,r);return i.parallels=function(t){return arguments.length?n(e=t[0]*Ua/180,r=t[1]*Ua/180):[e/Ua*180,r/Ua*180]},i}function Ye(t,e){function r(t,e){var r=Math.sqrt(o-2*i*Math.sin(e))/i;return[r*Math.sin(t*=i),a-r*Math.cos(t)]}var n=Math.sin(t),i=(n+Math.sin(e))/2,o=1+n*(2*i-n),a=Math.sqrt(o)/i;return r.invert=function(t,e){var r=a-e;return[Math.atan2(t,r)/i,nt((o-(t*t+r*r)*i*i)/(2*i))]},r}function We(){function t(t,e){Gs+=i*t-n*e,n=t,i=e}var e,r,n,i;Zs.point=function(o,a){Zs.point=t,e=n=o,r=i=a},Zs.lineEnd=function(){t(e,r)}}function Ze(t,e){Hs>t&&(Hs=t),t>Ys&&(Ys=t),Xs>e&&(Xs=e),e>Ws&&(Ws=e)}function Ke(){function t(t,e){a.push(\"M\",t,\",\",e,o)}function e(t,e){a.push(\"M\",t,\",\",e),s.point=r}function r(t,e){a.push(\"L\",t,\",\",e)}function n(){s.point=t}function i(){a.push(\"Z\")}var o=Je(4.5),a=[],s={point:t,lineStart:function(){s.point=e},lineEnd:n,polygonStart:function(){s.lineEnd=i},polygonEnd:function(){s.lineEnd=n,s.point=t},pointRadius:function(t){return o=Je(t),s},result:function(){if(a.length){var t=a.join(\"\");return a=[],t}}};return s}function Je(t){return\"m0,\"+t+\"a\"+t+\",\"+t+\" 0 1,1 0,\"+-2*t+\"a\"+t+\",\"+t+\" 0 1,1 0,\"+2*t+\"z\"}function $e(t,e){Is+=t,Ps+=e,++Cs}function Qe(){function t(t,n){var i=t-e,o=n-r,a=Math.sqrt(i*i+o*o);Rs+=a*(e+t)/2,Ds+=a*(r+n)/2,Os+=a,$e(e=t,r=n)}var e,r;Js.point=function(n,i){Js.point=t,$e(e=n,r=i)}}function tr(){Js.point=$e}function er(){function t(t,e){var r=t-n,o=e-i,a=Math.sqrt(r*r+o*o);Rs+=a*(n+t)/2,Ds+=a*(i+e)/2,Os+=a,a=i*t-n*e,Fs+=a*(n+t),js+=a*(i+e),Ns+=3*a,$e(n=t,i=e)}var e,r,n,i;Js.point=function(o,a){Js.point=t,$e(e=n=o,r=i=a)},Js.lineEnd=function(){t(e,r)}}function rr(t){function e(e,r){t.moveTo(e+a,r),t.arc(e,r,a,0,Va)}function r(e,r){t.moveTo(e,r),s.point=n}function n(e,r){t.lineTo(e,r)}function i(){s.point=e}function o(){t.closePath()}var a=4.5,s={point:e,lineStart:function(){s.point=r},lineEnd:i,polygonStart:function(){s.lineEnd=o},polygonEnd:function(){s.lineEnd=i,s.point=e},pointRadius:function(t){return a=t,s},result:M};return s}function nr(t){function e(t){return(s?n:r)(t)}function r(e){return ar(e,function(r,n){r=t(r,n),e.point(r[0],r[1])})}function n(e){function r(r,n){r=t(r,n),e.point(r[0],r[1])}function n(){b=NaN,k.point=o,e.lineStart()}function o(r,n){var o=ge([r,n]),a=t(r,n);i(b,x,y,_,w,M,b=a[0],x=a[1],y=r,_=o[0],w=o[1],M=o[2],s,e),e.point(b,x)}function a(){k.point=r,e.lineEnd()}function l(){n(),k.point=u,k.lineEnd=c}function u(t,e){o(h=t,f=e),d=b,p=x,v=_,m=w,g=M,k.point=o}function c(){i(b,x,y,_,w,M,d,p,h,v,m,g,s,e),k.lineEnd=a,a()}var h,f,d,p,v,m,g,y,b,x,_,w,M,k={point:r,lineStart:n,lineEnd:a,polygonStart:function(){e.polygonStart(),k.lineStart=l},polygonEnd:function(){e.polygonEnd(),k.lineStart=n}};return k}function i(e,r,n,s,l,u,c,h,f,d,p,v,m,g){var y=c-e,b=h-r,x=y*y+b*b;if(x>4*o&&m--){var _=s+d,w=l+p,M=u+v,k=Math.sqrt(_*_+w*w+M*M),A=Math.asin(M/=k),T=wa(wa(M)-1)<Na||wa(n-f)<Na?(n+f)/2:Math.atan2(w,_),E=t(T,A),S=E[0],L=E[1],z=S-e,I=L-r,P=b*z-y*I;(P*P/x>o||wa((y*z+b*I)/x-.5)>.3||a>s*d+l*p+u*v)&&(i(e,r,n,s,l,u,S,L,T,_/=k,w/=k,M,m,g),g.point(S,L),i(S,L,T,_,w,M,c,h,f,d,p,v,m,g))}}var o=.5,a=Math.cos(30*Ha),s=16;return e.precision=function(t){return arguments.length?(s=(o=t*t)>0&&16,e):Math.sqrt(o)},e}function ir(t){var e=nr(function(e,r){return t([e*Xa,r*Xa])});return function(t){return ur(e(t))}}function or(t){this.stream=t}function ar(t,e){return{point:e,sphere:function(){t.sphere()},lineStart:function(){t.lineStart()},lineEnd:function(){t.lineEnd()},polygonStart:function(){t.polygonStart()},polygonEnd:function(){t.polygonEnd()}}}function sr(t){return lr(function(){return t})()}function lr(t){function e(t){return t=s(t[0]*Ha,t[1]*Ha),[t[0]*f+l,u-t[1]*f]}function r(t){return t=s.invert((t[0]-l)/f,(u-t[1])/f),t&&[t[0]*Xa,t[1]*Xa]}function n(){s=ze(a=fr(g,y,b),o);var t=o(v,m);return l=d-t[0]*f,u=p+t[1]*f,i()}function i(){return c&&(c.valid=!1,c=null),e}var o,a,s,l,u,c,h=nr(function(t,e){return t=o(t,e),[t[0]*f+l,u-t[1]*f]}),f=150,d=480,p=250,v=0,m=0,g=0,y=0,b=0,_=Us,w=x,M=null,k=null;return e.stream=function(t){return c&&(c.valid=!1),c=ur(_(a,h(w(t)))),c.valid=!0,c},e.clipAngle=function(t){return arguments.length?(_=null==t?(M=t,Us):qe((M=+t)*Ha),i()):M},e.clipExtent=function(t){return arguments.length?(k=t,w=t?He(t[0][0],t[0][1],t[1][0],t[1][1]):x,i()):k},e.scale=function(t){return arguments.length?(f=+t,n()):f},e.translate=function(t){return arguments.length?(d=+t[0],p=+t[1],n()):[d,p]},e.center=function(t){return arguments.length?(v=t[0]%360*Ha,m=t[1]%360*Ha,n()):[v*Xa,m*Xa]},e.rotate=function(t){return arguments.length?(g=t[0]%360*Ha,y=t[1]%360*Ha,b=t.length>2?t[2]%360*Ha:0,n()):[g*Xa,y*Xa,b*Xa]},ca.rebind(e,h,\"precision\"),function(){return o=t.apply(this,arguments),e.invert=o.invert&&r,n()}}function ur(t){return ar(t,function(e,r){t.point(e*Ha,r*Ha)})}function cr(t,e){return[t,e]}function hr(t,e){return[t>Ua?t-Va:-Ua>t?t+Va:t,e]}function fr(t,e,r){return t?e||r?ze(pr(t),vr(e,r)):pr(t):e||r?vr(e,r):hr}function dr(t){return function(e,r){return e+=t,[e>Ua?e-Va:-Ua>e?e+Va:e,r]}}function pr(t){var e=dr(t);return e.invert=dr(-t),e}function vr(t,e){function r(t,e){var r=Math.cos(e),s=Math.cos(t)*r,l=Math.sin(t)*r,u=Math.sin(e),c=u*n+s*i;return[Math.atan2(l*o-c*a,s*n-u*i),nt(c*o+l*a)]}var n=Math.cos(t),i=Math.sin(t),o=Math.cos(e),a=Math.sin(e);return r.invert=function(t,e){var r=Math.cos(e),s=Math.cos(t)*r,l=Math.sin(t)*r,u=Math.sin(e),c=u*o-l*a;return[Math.atan2(l*o+u*a,s*n+c*i),nt(c*n-s*i)]},r}function mr(t,e){var r=Math.cos(t),n=Math.sin(t);return function(i,o,a,s){var l=a*e;null!=i?(i=gr(r,i),o=gr(r,o),(a>0?o>i:i>o)&&(i+=a*Va)):(i=t+a*Va,o=t-.5*l);for(var u,c=i;a>0?c>o:o>c;c-=l)s.point((u=Me([r,-n*Math.cos(c),-n*Math.sin(c)]))[0],u[1])}}function gr(t,e){var r=ge(e);r[0]-=t,we(r);var n=rt(-r[1]);return((-r[2]<0?-n:n)+2*Math.PI-Na)%(2*Math.PI)}function yr(t,e,r){var n=ca.range(t,e-Na,r).concat(e);return function(t){return n.map(function(e){return[t,e]})}}function br(t,e,r){var n=ca.range(t,e-Na,r).concat(e);return function(t){return n.map(function(e){return[e,t]})}}function xr(t){return t.source}function _r(t){return t.target}function wr(t,e,r,n){var i=Math.cos(e),o=Math.sin(e),a=Math.cos(n),s=Math.sin(n),l=i*Math.cos(t),u=i*Math.sin(t),c=a*Math.cos(r),h=a*Math.sin(r),f=2*Math.asin(Math.sqrt(st(n-e)+i*a*st(r-t))),d=1/Math.sin(f),p=f?function(t){var e=Math.sin(t*=f)*d,r=Math.sin(f-t)*d,n=r*l+e*c,i=r*u+e*h,a=r*o+e*s;return[Math.atan2(i,n)*Xa,Math.atan2(a,Math.sqrt(n*n+i*i))*Xa]}:function(){return[t*Xa,e*Xa]};return p.distance=f,p}function Mr(){function t(t,i){var o=Math.sin(i*=Ha),a=Math.cos(i),s=wa((t*=Ha)-e),l=Math.cos(s);$s+=Math.atan2(Math.sqrt((s=a*Math.sin(s))*s+(s=n*o-r*a*l)*s),r*o+n*a*l),e=t,r=o,n=a}var e,r,n;Qs.point=function(i,o){e=i*Ha,r=Math.sin(o*=Ha),n=Math.cos(o),Qs.point=t},Qs.lineEnd=function(){Qs.point=Qs.lineEnd=M}}function kr(t,e){function r(e,r){var n=Math.cos(e),i=Math.cos(r),o=t(n*i);return[o*i*Math.sin(e),o*Math.sin(r)]}return r.invert=function(t,r){var n=Math.sqrt(t*t+r*r),i=e(n),o=Math.sin(i),a=Math.cos(i);return[Math.atan2(t*o,n*a),Math.asin(n&&r*o/n)]},r}function Ar(t,e){function r(t,e){a>0?-Ga+Na>e&&(e=-Ga+Na):e>Ga-Na&&(e=Ga-Na);var r=a/Math.pow(i(e),o);return[r*Math.sin(o*t),a-r*Math.cos(o*t)]}var n=Math.cos(t),i=function(t){return Math.tan(Ua/4+t/2)},o=t===e?Math.sin(t):Math.log(n/Math.cos(e))/Math.log(i(e)/i(t)),a=n*Math.pow(i(t),o)/o;return o?(r.invert=function(t,e){var r=a-e,n=tt(o)*Math.sqrt(t*t+r*r);return[Math.atan2(t,r)/o,2*Math.atan(Math.pow(a/n,1/o))-Ga]},r):Er}function Tr(t,e){function r(t,e){var r=o-e;return[r*Math.sin(i*t),o-r*Math.cos(i*t)]}var n=Math.cos(t),i=t===e?Math.sin(t):(n-Math.cos(e))/(e-t),o=n/i+t;return wa(i)<Na?cr:(r.invert=function(t,e){var r=o-e;return[Math.atan2(t,r)/i,o-tt(i)*Math.sqrt(t*t+r*r)]},r)}function Er(t,e){return[t,Math.log(Math.tan(Ua/4+e/2))]}function Sr(t){var e,r=sr(t),n=r.scale,i=r.translate,o=r.clipExtent;return r.scale=function(){var t=n.apply(r,arguments);return t===r?e?r.clipExtent(null):r:t},r.translate=function(){var t=i.apply(r,arguments);return t===r?e?r.clipExtent(null):r:t},r.clipExtent=function(t){var a=o.apply(r,arguments);if(a===r){if(e=null==t){var s=Ua*n(),l=i();o([[l[0]-s,l[1]-s],[l[0]+s,l[1]+s]])}}else e&&(a=null);return a},r.clipExtent(null)}function Lr(t,e){return[Math.log(Math.tan(Ua/4+e/2)),-t]}function zr(t){return t[0]}function Ir(t){return t[1]}function Pr(t){for(var e=t.length,r=[0,1],n=2,i=2;e>i;i++){for(;n>1&&et(t[r[n-2]],t[r[n-1]],t[i])<=0;)--n;r[n++]=i}return r.slice(0,n)}function Cr(t,e){return t[0]-e[0]||t[1]-e[1]}function Rr(t,e,r){return(r[0]-e[0])*(t[1]-e[1])<(r[1]-e[1])*(t[0]-e[0])}function Dr(t,e,r,n){var i=t[0],o=r[0],a=e[0]-i,s=n[0]-o,l=t[1],u=r[1],c=e[1]-l,h=n[1]-u,f=(s*(l-u)-h*(i-o))/(h*a-s*c);return[i+f*a,l+f*c]}function Or(t){var e=t[0],r=t[t.length-1];return!(e[0]-r[0]||e[1]-r[1])}function Fr(){on(this),this.edge=this.site=this.circle=null}function jr(t){var e=hl.pop()||new Fr;return e.site=t,e}function Nr(t){Zr(t),ll.remove(t),hl.push(t),on(t)}function Br(t){var e=t.circle,r=e.x,n=e.cy,i={x:r,y:n},o=t.P,a=t.N,s=[t];Nr(t);for(var l=o;l.circle&&wa(r-l.circle.x)<Na&&wa(n-l.circle.cy)<Na;)o=l.P,s.unshift(l),Nr(l),l=o;s.unshift(l),Zr(l);for(var u=a;u.circle&&wa(r-u.circle.x)<Na&&wa(n-u.circle.cy)<Na;)a=u.N,s.push(u),Nr(u),u=a;s.push(u),Zr(u);var c,h=s.length;for(c=1;h>c;++c)u=s[c],l=s[c-1],en(u.edge,l.site,u.site,i);l=s[0],u=s[h-1],u.edge=Qr(l.site,u.site,null,i),Wr(l),Wr(u)}function Ur(t){for(var e,r,n,i,o=t.x,a=t.y,s=ll._;s;)if(n=Vr(s,a)-o,n>Na)s=s.L;else{if(i=o-qr(s,a),!(i>Na)){n>-Na?(e=s.P,r=s):i>-Na?(e=s,r=s.N):e=r=s;break}if(!s.R){e=s;break}s=s.R}var l=jr(t);if(ll.insert(e,l),e||r){if(e===r)return Zr(e),r=jr(e.site),ll.insert(l,r),l.edge=r.edge=Qr(e.site,l.site),Wr(e),void Wr(r);if(!r)return void(l.edge=Qr(e.site,l.site));Zr(e),Zr(r);var u=e.site,c=u.x,h=u.y,f=t.x-c,d=t.y-h,p=r.site,v=p.x-c,m=p.y-h,g=2*(f*m-d*v),y=f*f+d*d,b=v*v+m*m,x={x:(m*y-d*b)/g+c,y:(f*b-v*y)/g+h};en(r.edge,u,p,x),l.edge=Qr(u,t,null,x),r.edge=Qr(t,p,null,x),Wr(e),Wr(r)}}function Vr(t,e){var r=t.site,n=r.x,i=r.y,o=i-e;if(!o)return n;var a=t.P;if(!a)return-(1/0);r=a.site;var s=r.x,l=r.y,u=l-e;if(!u)return s;var c=s-n,h=1/o-1/u,f=c/u;return h?(-f+Math.sqrt(f*f-2*h*(c*c/(-2*u)-l+u/2+i-o/2)))/h+n:(n+s)/2}function qr(t,e){var r=t.N;if(r)return Vr(r,e);var n=t.site;return n.y===e?n.x:1/0}function Gr(t){this.site=t,this.edges=[]}function Hr(t){for(var e,r,n,i,o,a,s,l,u,c,h=t[0][0],f=t[1][0],d=t[0][1],p=t[1][1],v=sl,m=v.length;m--;)if(o=v[m],o&&o.prepare())for(s=o.edges,l=s.length,a=0;l>a;)c=s[a].end(),n=c.x,i=c.y,u=s[++a%l].start(),e=u.x,r=u.y,(wa(n-e)>Na||wa(i-r)>Na)&&(s.splice(a,0,new rn(tn(o.site,c,wa(n-h)<Na&&p-i>Na?{x:h,y:wa(e-h)<Na?r:p}:wa(i-p)<Na&&f-n>Na?{x:wa(r-p)<Na?e:f,y:p}:wa(n-f)<Na&&i-d>Na?{x:f,y:wa(e-f)<Na?r:d}:wa(i-d)<Na&&n-h>Na?{x:wa(r-d)<Na?e:h,y:d}:null),o.site,null)),++l)}function Xr(t,e){return e.angle-t.angle}function Yr(){on(this),this.x=this.y=this.arc=this.site=this.cy=null}function Wr(t){var e=t.P,r=t.N;if(e&&r){var n=e.site,i=t.site,o=r.site;if(n!==o){var a=i.x,s=i.y,l=n.x-a,u=n.y-s,c=o.x-a,h=o.y-s,f=2*(l*h-u*c);if(!(f>=-Ba)){var d=l*l+u*u,p=c*c+h*h,v=(h*d-u*p)/f,m=(l*p-c*d)/f,h=m+s,g=fl.pop()||new Yr;g.arc=t,g.site=i,g.x=v+a,g.y=h+Math.sqrt(v*v+m*m),g.cy=h,t.circle=g;for(var y=null,b=cl._;b;)if(g.y<b.y||g.y===b.y&&g.x<=b.x){if(!b.L){y=b.P;break}b=b.L}else{if(!b.R){y=b;break}b=b.R}cl.insert(y,g),y||(ul=g)}}}}function Zr(t){var e=t.circle;e&&(e.P||(ul=e.N),cl.remove(e),fl.push(e),on(e),t.circle=null)}function Kr(t){for(var e,r=al,n=Ge(t[0][0],t[0][1],t[1][0],t[1][1]),i=r.length;i--;)e=r[i],(!Jr(e,t)||!n(e)||wa(e.a.x-e.b.x)<Na&&wa(e.a.y-e.b.y)<Na)&&(e.a=e.b=null,r.splice(i,1))}function Jr(t,e){var r=t.b;if(r)return!0;var n,i,o=t.a,a=e[0][0],s=e[1][0],l=e[0][1],u=e[1][1],c=t.l,h=t.r,f=c.x,d=c.y,p=h.x,v=h.y,m=(f+p)/2,g=(d+v)/2;if(v===d){if(a>m||m>=s)return;if(f>p){if(o){if(o.y>=u)return}else o={x:m,y:l};r={x:m,y:u}}else{if(o){if(o.y<l)return}else o={x:m,y:u};r={x:m,y:l}}}else if(n=(f-p)/(v-d),i=g-n*m,-1>n||n>1)if(f>p){if(o){if(o.y>=u)return}else o={x:(l-i)/n,y:l};r={x:(u-i)/n,y:u}}else{if(o){if(o.y<l)return}else o={x:(u-i)/n,y:u};r={x:(l-i)/n,y:l}}else if(v>d){if(o){if(o.x>=s)return}else o={x:a,y:n*a+i};r={x:s,y:n*s+i}}else{if(o){if(o.x<a)return}else o={x:s,y:n*s+i};r={x:a,y:n*a+i}}return t.a=o,t.b=r,!0}function $r(t,e){this.l=t,this.r=e,this.a=this.b=null}function Qr(t,e,r,n){var i=new $r(t,e);return al.push(i),r&&en(i,t,e,r),n&&en(i,e,t,n),sl[t.i].edges.push(new rn(i,t,e)),sl[e.i].edges.push(new rn(i,e,t)),i}function tn(t,e,r){var n=new $r(t,null);return n.a=e,n.b=r,al.push(n),n}function en(t,e,r,n){t.a||t.b?t.l===r?t.b=n:t.a=n:(t.a=n,t.l=e,t.r=r)}function rn(t,e,r){var n=t.a,i=t.b;this.edge=t,this.site=e,this.angle=r?Math.atan2(r.y-e.y,r.x-e.x):t.l===e?Math.atan2(i.x-n.x,n.y-i.y):Math.atan2(n.x-i.x,i.y-n.y)}function nn(){this._=null}function on(t){t.U=t.C=t.L=t.R=t.P=t.N=null}function an(t,e){var r=e,n=e.R,i=r.U;i?i.L===r?i.L=n:i.R=n:t._=n,n.U=i,r.U=n,r.R=n.L,r.R&&(r.R.U=r),n.L=r}function sn(t,e){var r=e,n=e.L,i=r.U;i?i.L===r?i.L=n:i.R=n:t._=n,n.U=i,r.U=n,r.L=n.R,r.L&&(r.L.U=r),n.R=r}function ln(t){for(;t.L;)t=t.L;return t}function un(t,e){var r,n,i,o=t.sort(cn).pop();for(al=[],sl=new Array(t.length),ll=new nn,cl=new nn;;)if(i=ul,o&&(!i||o.y<i.y||o.y===i.y&&o.x<i.x))o.x===r&&o.y===n||(sl[o.i]=new Gr(o),Ur(o),r=o.x,n=o.y),o=t.pop();else{if(!i)break;Br(i.arc)}e&&(Kr(e),Hr(e));var a={cells:sl,edges:al};return ll=cl=al=sl=null,a}function cn(t,e){return e.y-t.y||e.x-t.x}function hn(t,e,r){return(t.x-r.x)*(e.y-t.y)-(t.x-e.x)*(r.y-t.y)}function fn(t){return t.x}function dn(t){return t.y}function pn(){return{leaf:!0,nodes:[],point:null,x:null,y:null}}function vn(t,e,r,n,i,o){if(!t(e,r,n,i,o)){var a=.5*(r+i),s=.5*(n+o),l=e.nodes;l[0]&&vn(t,l[0],r,n,a,s),l[1]&&vn(t,l[1],a,n,i,s),l[2]&&vn(t,l[2],r,s,a,o),l[3]&&vn(t,l[3],a,s,i,o)}}function mn(t,e,r,n,i,o,a){var s,l=1/0;return function u(t,c,h,f,d){if(!(c>o||h>a||n>f||i>d)){if(p=t.point){var p,v=e-t.x,m=r-t.y,g=v*v+m*m;if(l>g){var y=Math.sqrt(l=g);n=e-y,i=r-y,o=e+y,a=r+y,s=p}}for(var b=t.nodes,x=.5*(c+f),_=.5*(h+d),w=e>=x,M=r>=_,k=M<<1|w,A=k+4;A>k;++k)if(t=b[3&k])switch(3&k){case 0:u(t,c,h,x,_);break;case 1:u(t,x,h,f,_);break;case 2:u(t,c,_,x,d);break;case 3:u(t,x,_,f,d)}}}(t,n,i,o,a),s}function gn(t,e){t=ca.rgb(t),e=ca.rgb(e);var r=t.r,n=t.g,i=t.b,o=e.r-r,a=e.g-n,s=e.b-i;return function(t){return\"#\"+wt(Math.round(r+o*t))+wt(Math.round(n+a*t))+wt(Math.round(i+s*t))}}function yn(t,e){var r,n={},i={};for(r in t)r in e?n[r]=_n(t[r],e[r]):i[r]=t[r];for(r in e)r in t||(i[r]=e[r]);return function(t){for(r in n)i[r]=n[r](t);return i}}function bn(t,e){return t=+t,e=+e,function(r){return t*(1-r)+e*r}}function xn(t,e){var r,n,i,o=pl.lastIndex=vl.lastIndex=0,a=-1,s=[],l=[];for(t+=\"\",e+=\"\";(r=pl.exec(t))&&(n=vl.exec(e));)(i=n.index)>o&&(i=e.slice(o,i),s[a]?s[a]+=i:s[++a]=i),(r=r[0])===(n=n[0])?s[a]?s[a]+=n:s[++a]=n:(s[++a]=null,l.push({i:a,x:bn(r,n)})),o=vl.lastIndex;return o<e.length&&(i=e.slice(o),s[a]?s[a]+=i:s[++a]=i),s.length<2?l[0]?(e=l[0].x,function(t){return e(t)+\"\"}):function(){return e}:(e=l.length,function(t){for(var r,n=0;e>n;++n)s[(r=l[n]).i]=r.x(t);return s.join(\"\")})}function _n(t,e){for(var r,n=ca.interpolators.length;--n>=0&&!(r=ca.interpolators[n](t,e)););return r}function wn(t,e){var r,n=[],i=[],o=t.length,a=e.length,s=Math.min(t.length,e.length);for(r=0;s>r;++r)n.push(_n(t[r],e[r]));for(;o>r;++r)i[r]=t[r];for(;a>r;++r)i[r]=e[r];return function(t){for(r=0;s>r;++r)i[r]=n[r](t);return i}}function Mn(t){return function(e){return 0>=e?0:e>=1?1:t(e)}}function kn(t){return function(e){return 1-t(1-e)}}function An(t){return function(e){return.5*(.5>e?t(2*e):2-t(2-2*e))}}function Tn(t){return t*t}function En(t){return t*t*t}function Sn(t){if(0>=t)return 0;if(t>=1)return 1;var e=t*t,r=e*t;return 4*(.5>t?r:3*(t-e)+r-.75)}function Ln(t){return function(e){return Math.pow(e,t)}}function zn(t){return 1-Math.cos(t*Ga)}function In(t){return Math.pow(2,10*(t-1))}function Pn(t){return 1-Math.sqrt(1-t*t)}function Cn(t,e){var r;return arguments.length<2&&(e=.45),arguments.length?r=e/Va*Math.asin(1/t):(t=1,r=e/4),function(n){return 1+t*Math.pow(2,-10*n)*Math.sin((n-r)*Va/e)}}function Rn(t){return t||(t=1.70158),function(e){return e*e*((t+1)*e-t)}}function Dn(t){return 1/2.75>t?7.5625*t*t:2/2.75>t?7.5625*(t-=1.5/2.75)*t+.75:2.5/2.75>t?7.5625*(t-=2.25/2.75)*t+.9375:7.5625*(t-=2.625/2.75)*t+.984375}function On(t,e){t=ca.hcl(t),e=ca.hcl(e);var r=t.h,n=t.c,i=t.l,o=e.h-r,a=e.c-n,s=e.l-i;return isNaN(a)&&(a=0,n=isNaN(n)?e.c:n),isNaN(o)?(o=0,r=isNaN(r)?e.h:r):o>180?o-=360:-180>o&&(o+=360),function(t){return ft(r+o*t,n+a*t,i+s*t)+\"\"}}function Fn(t,e){t=ca.hsl(t),e=ca.hsl(e);var r=t.h,n=t.s,i=t.l,o=e.h-r,a=e.s-n,s=e.l-i;return isNaN(a)&&(a=0,n=isNaN(n)?e.s:n),isNaN(o)?(o=0,r=isNaN(r)?e.h:r):o>180?o-=360:-180>o&&(o+=360),function(t){return ct(r+o*t,n+a*t,i+s*t)+\"\"}}function jn(t,e){t=ca.lab(t),e=ca.lab(e);var r=t.l,n=t.a,i=t.b,o=e.l-r,a=e.a-n,s=e.b-i;return function(t){return pt(r+o*t,n+a*t,i+s*t)+\"\"}}function Nn(t,e){return e-=t,function(r){return Math.round(t+e*r)}}function Bn(t){var e=[t.a,t.b],r=[t.c,t.d],n=Vn(e),i=Un(e,r),o=Vn(qn(r,e,-i))||0;e[0]*r[1]<r[0]*e[1]&&(e[0]*=-1,e[1]*=-1,n*=-1,i*=-1),this.rotate=(n?Math.atan2(e[1],e[0]):Math.atan2(-r[0],r[1]))*Xa,this.translate=[t.e,t.f],this.scale=[n,o],this.skew=o?Math.atan2(i,o)*Xa:0}function Un(t,e){return t[0]*e[0]+t[1]*e[1]}function Vn(t){var e=Math.sqrt(Un(t,t));return e&&(t[0]/=e,t[1]/=e),e}function qn(t,e,r){return t[0]+=r*e[0],t[1]+=r*e[1],t}function Gn(t){return t.length?t.pop()+\",\":\"\"}function Hn(t,e,r,n){if(t[0]!==e[0]||t[1]!==e[1]){var i=r.push(\"translate(\",null,\",\",null,\")\");n.push({i:i-4,x:bn(t[0],e[0])},{i:i-2,x:bn(t[1],e[1])})}else(e[0]||e[1])&&r.push(\"translate(\"+e+\")\")}function Xn(t,e,r,n){t!==e?(t-e>180?e+=360:e-t>180&&(t+=360),n.push({i:r.push(Gn(r)+\"rotate(\",null,\")\")-2,x:bn(t,e)})):e&&r.push(Gn(r)+\"rotate(\"+e+\")\")}function Yn(t,e,r,n){t!==e?n.push({i:r.push(Gn(r)+\"skewX(\",null,\")\")-2,x:bn(t,e)}):e&&r.push(Gn(r)+\"skewX(\"+e+\")\")}function Wn(t,e,r,n){if(t[0]!==e[0]||t[1]!==e[1]){var i=r.push(Gn(r)+\"scale(\",null,\",\",null,\")\");n.push({i:i-4,x:bn(t[0],e[0])},{i:i-2,x:bn(t[1],e[1])})}else 1===e[0]&&1===e[1]||r.push(Gn(r)+\"scale(\"+e+\")\")}function Zn(t,e){var r=[],n=[];return t=ca.transform(t),e=ca.transform(e),Hn(t.translate,e.translate,r,n),Xn(t.rotate,e.rotate,r,n),Yn(t.skew,e.skew,r,n),Wn(t.scale,e.scale,r,n),t=e=null,function(t){for(var e,i=-1,o=n.length;++i<o;)r[(e=n[i]).i]=e.x(t);return r.join(\"\")}}function Kn(t,e){return e=(e-=t=+t)||1/e,function(r){return(r-t)/e}}function Jn(t,e){return e=(e-=t=+t)||1/e,function(r){return Math.max(0,Math.min(1,(r-t)/e))}}function $n(t){for(var e=t.source,r=t.target,n=ti(e,r),i=[e];e!==n;)e=e.parent,i.push(e);for(var o=i.length;r!==n;)i.splice(o,0,r),r=r.parent;return i}function Qn(t){for(var e=[],r=t.parent;null!=r;)e.push(t),t=r,r=r.parent;return e.push(t),e}function ti(t,e){if(t===e)return t;for(var r=Qn(t),n=Qn(e),i=r.pop(),o=n.pop(),a=null;i===o;)a=i,i=r.pop(),o=n.pop();return a}function ei(t){t.fixed|=2}function ri(t){t.fixed&=-7}function ni(t){t.fixed|=4,t.px=t.x,t.py=t.y}function ii(t){t.fixed&=-5}function oi(t,e,r){var n=0,i=0;if(t.charge=0,!t.leaf)for(var o,a=t.nodes,s=a.length,l=-1;++l<s;)o=a[l],null!=o&&(oi(o,e,r),t.charge+=o.charge,n+=o.charge*o.cx,i+=o.charge*o.cy);if(t.point){t.leaf||(t.point.x+=Math.random()-.5,t.point.y+=Math.random()-.5);var u=e*r[t.point.index];t.charge+=t.pointCharge=u,n+=u*t.point.x,i+=u*t.point.y}t.cx=n/t.charge,t.cy=i/t.charge}function ai(t,e){return ca.rebind(t,e,\"sort\",\"children\",\"value\"),t.nodes=t,t.links=fi,t}function si(t,e){for(var r=[t];null!=(t=r.pop());)if(e(t),(i=t.children)&&(n=i.length))for(var n,i;--n>=0;)r.push(i[n])}function li(t,e){for(var r=[t],n=[];null!=(t=r.pop());)if(n.push(t),(o=t.children)&&(i=o.length))for(var i,o,a=-1;++a<i;)r.push(o[a]);for(;null!=(t=n.pop());)e(t)}function ui(t){return t.children}function ci(t){return t.value}function hi(t,e){return e.value-t.value}function fi(t){return ca.merge(t.map(function(t){return(t.children||[]).map(function(e){return{source:t,target:e}})}))}function di(t){return t.x}function pi(t){return t.y}function vi(t,e,r){t.y0=e,t.y=r}function mi(t){return ca.range(t.length)}function gi(t){for(var e=-1,r=t[0].length,n=[];++e<r;)n[e]=0;return n}function yi(t){for(var e,r=1,n=0,i=t[0][1],o=t.length;o>r;++r)(e=t[r][1])>i&&(n=r,i=e);return n}function bi(t){return t.reduce(xi,0)}function xi(t,e){return t+e[1]}function _i(t,e){return wi(t,Math.ceil(Math.log(e.length)/Math.LN2+1))}function wi(t,e){for(var r=-1,n=+t[0],i=(t[1]-n)/e,o=[];++r<=e;)o[r]=i*r+n;return o}function Mi(t){return[ca.min(t),ca.max(t)]}function ki(t,e){return t.value-e.value}function Ai(t,e){var r=t._pack_next;t._pack_next=e,e._pack_prev=t,e._pack_next=r,r._pack_prev=e}function Ti(t,e){t._pack_next=e,e._pack_prev=t}function Ei(t,e){var r=e.x-t.x,n=e.y-t.y,i=t.r+e.r;return.999*i*i>r*r+n*n}function Si(t){function e(t){c=Math.min(t.x-t.r,c),h=Math.max(t.x+t.r,h),f=Math.min(t.y-t.r,f),d=Math.max(t.y+t.r,d)}if((r=t.children)&&(u=r.length)){var r,n,i,o,a,s,l,u,c=1/0,h=-(1/0),f=1/0,d=-(1/0);if(r.forEach(Li),n=r[0],n.x=-n.r,n.y=0,e(n),u>1&&(i=r[1],i.x=i.r,i.y=0,e(i),u>2))for(o=r[2],Pi(n,i,o),e(o),Ai(n,o),n._pack_prev=o,Ai(o,i),i=n._pack_next,a=3;u>a;a++){Pi(n,i,o=r[a]);var p=0,v=1,m=1;for(s=i._pack_next;s!==i;s=s._pack_next,v++)if(Ei(s,o)){p=1;break}if(1==p)for(l=n._pack_prev;l!==s._pack_prev&&!Ei(l,o);l=l._pack_prev,m++);p?(m>v||v==m&&i.r<n.r?Ti(n,i=s):Ti(n=l,i),a--):(Ai(n,o),i=o,e(o))}var g=(c+h)/2,y=(f+d)/2,b=0;for(a=0;u>a;a++)o=r[a],o.x-=g,o.y-=y,b=Math.max(b,o.r+Math.sqrt(o.x*o.x+o.y*o.y));t.r=b,r.forEach(zi)}}function Li(t){t._pack_next=t._pack_prev=t}function zi(t){delete t._pack_next,delete t._pack_prev}function Ii(t,e,r,n){var i=t.children;if(t.x=e+=n*t.x,t.y=r+=n*t.y,t.r*=n,i)for(var o=-1,a=i.length;++o<a;)Ii(i[o],e,r,n)}function Pi(t,e,r){var n=t.r+r.r,i=e.x-t.x,o=e.y-t.y;if(n&&(i||o)){var a=e.r+r.r,s=i*i+o*o;a*=a,n*=n;var l=.5+(n-a)/(2*s),u=Math.sqrt(Math.max(0,2*a*(n+s)-(n-=s)*n-a*a))/(2*s);r.x=t.x+l*i+u*o,r.y=t.y+l*o-u*i}else r.x=t.x+n,r.y=t.y}function Ci(t,e){return t.parent==e.parent?1:2}function Ri(t){var e=t.children;return e.length?e[0]:t.t}function Di(t){var e,r=t.children;return(e=r.length)?r[e-1]:t.t}function Oi(t,e,r){var n=r/(e.i-t.i);e.c-=n,e.s+=r,t.c+=n,e.z+=r,e.m+=r}function Fi(t){for(var e,r=0,n=0,i=t.children,o=i.length;--o>=0;)e=i[o],e.z+=r,e.m+=r,r+=e.s+(n+=e.c)}function ji(t,e,r){return t.a.parent===e.parent?t.a:r}function Ni(t){return 1+ca.max(t,function(t){return t.y})}function Bi(t){return t.reduce(function(t,e){return t+e.x},0)/t.length}function Ui(t){var e=t.children;return e&&e.length?Ui(e[0]):t}function Vi(t){var e,r=t.children;return r&&(e=r.length)?Vi(r[e-1]):t}function qi(t){return{x:t.x,y:t.y,dx:t.dx,dy:t.dy}}function Gi(t,e){var r=t.x+e[3],n=t.y+e[0],i=t.dx-e[1]-e[3],o=t.dy-e[0]-e[2];return 0>i&&(r+=i/2,i=0),0>o&&(n+=o/2,o=0),{x:r,y:n,dx:i,dy:o}}function Hi(t){var e=t[0],r=t[t.length-1];return r>e?[e,r]:[r,e]}function Xi(t){return t.rangeExtent?t.rangeExtent():Hi(t.range())}function Yi(t,e,r,n){var i=r(t[0],t[1]),o=n(e[0],e[1]);return function(t){return o(i(t))}}function Wi(t,e){var r,n=0,i=t.length-1,o=t[n],a=t[i];return o>a&&(r=n,n=i,i=r,r=o,o=a,a=r),t[n]=e.floor(o),t[i]=e.ceil(a),t}function Zi(t){return t?{floor:function(e){return Math.floor(e/t)*t},ceil:function(e){return Math.ceil(e/t)*t}}:Tl}function Ki(t,e,r,n){var i=[],o=[],a=0,s=Math.min(t.length,e.length)-1;for(t[s]<t[0]&&(t=t.slice().reverse(),e=e.slice().reverse());++a<=s;)i.push(r(t[a-1],t[a])),o.push(n(e[a-1],e[a]));return function(e){var r=ca.bisect(t,e,1,s)-1;return o[r](i[r](e))}}function Ji(t,e,r,n){function i(){var i=Math.min(t.length,e.length)>2?Ki:Yi,l=n?Jn:Kn;return a=i(t,e,l,r),s=i(e,t,l,_n),o}function o(t){return a(t)}var a,s;return o.invert=function(t){return s(t)},o.domain=function(e){return arguments.length?(t=e.map(Number),i()):t},o.range=function(t){return arguments.length?(e=t,i()):e},o.rangeRound=function(t){return o.range(t).interpolate(Nn)},o.clamp=function(t){return arguments.length?(n=t,i()):n},o.interpolate=function(t){return arguments.length?(r=t,i()):r},o.ticks=function(e){return eo(t,e)},o.tickFormat=function(e,r){return ro(t,e,r)},o.nice=function(e){return Qi(t,e),i()},o.copy=function(){return Ji(t,e,r,n)},i()}function $i(t,e){return ca.rebind(t,e,\"range\",\"rangeRound\",\"interpolate\",\"clamp\")}function Qi(t,e){return Wi(t,Zi(to(t,e)[2])),Wi(t,Zi(to(t,e)[2])),t}function to(t,e){null==e&&(e=10);var r=Hi(t),n=r[1]-r[0],i=Math.pow(10,Math.floor(Math.log(n/e)/Math.LN10)),o=e/n*i;return.15>=o?i*=10:.35>=o?i*=5:.75>=o&&(i*=2),r[0]=Math.ceil(r[0]/i)*i,r[1]=Math.floor(r[1]/i)*i+.5*i,r[2]=i,r}function eo(t,e){return ca.range.apply(ca,to(t,e))}function ro(t,e,r){var n=to(t,e);if(r){var i=ps.exec(r);if(i.shift(),\"s\"===i[8]){var o=ca.formatPrefix(Math.max(wa(n[0]),wa(n[1])));return i[7]||(i[7]=\".\"+no(o.scale(n[2]))),i[8]=\"f\",r=ca.format(i.join(\"\")),function(t){return r(o.scale(t))+o.symbol}}i[7]||(i[7]=\".\"+io(i[8],n)),r=i.join(\"\")}else r=\",.\"+no(n[2])+\"f\";return ca.format(r)}function no(t){return-Math.floor(Math.log(t)/Math.LN10+.01)}function io(t,e){var r=no(e[2]);return t in El?Math.abs(r-no(Math.max(wa(e[0]),wa(e[1]))))+ +(\"e\"!==t):r-2*(\"%\"===t)}function oo(t,e,r,n){function i(t){return(r?Math.log(0>t?0:t):-Math.log(t>0?0:-t))/Math.log(e)}function o(t){return r?Math.pow(e,t):-Math.pow(e,-t)}function a(e){return t(i(e))}return a.invert=function(e){return o(t.invert(e))},a.domain=function(e){return arguments.length?(r=e[0]>=0,t.domain((n=e.map(Number)).map(i)),a):n},a.base=function(r){return arguments.length?(e=+r,t.domain(n.map(i)),a):e},a.nice=function(){var e=Wi(n.map(i),r?Math:Ll);return t.domain(e),n=e.map(o),a},a.ticks=function(){var t=Hi(n),a=[],s=t[0],l=t[1],u=Math.floor(i(s)),c=Math.ceil(i(l)),h=e%1?2:e;if(isFinite(c-u)){if(r){for(;c>u;u++)for(var f=1;h>f;f++)a.push(o(u)*f);a.push(o(u))}else for(a.push(o(u));u++<c;)for(var f=h-1;f>0;f--)a.push(o(u)*f);for(u=0;a[u]<s;u++);for(c=a.length;a[c-1]>l;c--);a=a.slice(u,c)}return a},a.tickFormat=function(t,r){if(!arguments.length)return Sl;arguments.length<2?r=Sl:\"function\"!=typeof r&&(r=ca.format(r));var n=Math.max(1,e*t/a.ticks().length);return function(t){var a=t/o(Math.round(i(t)));return e-.5>a*e&&(a*=e),n>=a?r(t):\"\"}},a.copy=function(){return oo(t.copy(),e,r,n)},$i(a,t)}function ao(t,e,r){function n(e){return t(i(e))}var i=so(e),o=so(1/e);return n.invert=function(e){return o(t.invert(e))},n.domain=function(e){return arguments.length?(t.domain((r=e.map(Number)).map(i)),n):r},n.ticks=function(t){return eo(r,t)},n.tickFormat=function(t,e){return ro(r,t,e)},n.nice=function(t){return n.domain(Qi(r,t));\n},n.exponent=function(a){return arguments.length?(i=so(e=a),o=so(1/e),t.domain(r.map(i)),n):e},n.copy=function(){return ao(t.copy(),e,r)},$i(n,t)}function so(t){return function(e){return 0>e?-Math.pow(-e,t):Math.pow(e,t)}}function lo(t,e){function r(r){return o[((i.get(r)||(\"range\"===e.t?i.set(r,t.push(r)):NaN))-1)%o.length]}function n(e,r){return ca.range(t.length).map(function(t){return e+r*t})}var i,o,a;return r.domain=function(n){if(!arguments.length)return t;t=[],i=new h;for(var o,a=-1,s=n.length;++a<s;)i.has(o=n[a])||i.set(o,t.push(o));return r[e.t].apply(r,e.a)},r.range=function(t){return arguments.length?(o=t,a=0,e={t:\"range\",a:arguments},r):o},r.rangePoints=function(i,s){arguments.length<2&&(s=0);var l=i[0],u=i[1],c=t.length<2?(l=(l+u)/2,0):(u-l)/(t.length-1+s);return o=n(l+c*s/2,c),a=0,e={t:\"rangePoints\",a:arguments},r},r.rangeRoundPoints=function(i,s){arguments.length<2&&(s=0);var l=i[0],u=i[1],c=t.length<2?(l=u=Math.round((l+u)/2),0):(u-l)/(t.length-1+s)|0;return o=n(l+Math.round(c*s/2+(u-l-(t.length-1+s)*c)/2),c),a=0,e={t:\"rangeRoundPoints\",a:arguments},r},r.rangeBands=function(i,s,l){arguments.length<2&&(s=0),arguments.length<3&&(l=s);var u=i[1]<i[0],c=i[u-0],h=i[1-u],f=(h-c)/(t.length-s+2*l);return o=n(c+f*l,f),u&&o.reverse(),a=f*(1-s),e={t:\"rangeBands\",a:arguments},r},r.rangeRoundBands=function(i,s,l){arguments.length<2&&(s=0),arguments.length<3&&(l=s);var u=i[1]<i[0],c=i[u-0],h=i[1-u],f=Math.floor((h-c)/(t.length-s+2*l));return o=n(c+Math.round((h-c-(t.length-s)*f)/2),f),u&&o.reverse(),a=Math.round(f*(1-s)),e={t:\"rangeRoundBands\",a:arguments},r},r.rangeBand=function(){return a},r.rangeExtent=function(){return Hi(e.a[0])},r.copy=function(){return lo(t,e)},r.domain(t)}function uo(t,e){function r(){var r=0,i=e.length;for(s=[];++r<i;)s[r-1]=ca.quantile(t,r/i);return n}function n(t){return isNaN(t=+t)?void 0:e[ca.bisect(s,t)]}var s;return n.domain=function(e){return arguments.length?(t=e.map(o).filter(a).sort(i),r()):t},n.range=function(t){return arguments.length?(e=t,r()):e},n.quantiles=function(){return s},n.invertExtent=function(r){return r=e.indexOf(r),0>r?[NaN,NaN]:[r>0?s[r-1]:t[0],r<s.length?s[r]:t[t.length-1]]},n.copy=function(){return uo(t,e)},r()}function co(t,e,r){function n(e){return r[Math.max(0,Math.min(a,Math.floor(o*(e-t))))]}function i(){return o=r.length/(e-t),a=r.length-1,n}var o,a;return n.domain=function(r){return arguments.length?(t=+r[0],e=+r[r.length-1],i()):[t,e]},n.range=function(t){return arguments.length?(r=t,i()):r},n.invertExtent=function(e){return e=r.indexOf(e),e=0>e?NaN:e/o+t,[e,e+1/o]},n.copy=function(){return co(t,e,r)},i()}function ho(t,e){function r(r){return r>=r?e[ca.bisect(t,r)]:void 0}return r.domain=function(e){return arguments.length?(t=e,r):t},r.range=function(t){return arguments.length?(e=t,r):e},r.invertExtent=function(r){return r=e.indexOf(r),[t[r-1],t[r]]},r.copy=function(){return ho(t,e)},r}function fo(t){function e(t){return+t}return e.invert=e,e.domain=e.range=function(r){return arguments.length?(t=r.map(e),e):t},e.ticks=function(e){return eo(t,e)},e.tickFormat=function(e,r){return ro(t,e,r)},e.copy=function(){return fo(t)},e}function po(){return 0}function vo(t){return t.innerRadius}function mo(t){return t.outerRadius}function go(t){return t.startAngle}function yo(t){return t.endAngle}function bo(t){return t&&t.padAngle}function xo(t,e,r,n){return(t-r)*e-(e-n)*t>0?0:1}function _o(t,e,r,n,i){var o=t[0]-e[0],a=t[1]-e[1],s=(i?n:-n)/Math.sqrt(o*o+a*a),l=s*a,u=-s*o,c=t[0]+l,h=t[1]+u,f=e[0]+l,d=e[1]+u,p=(c+f)/2,v=(h+d)/2,m=f-c,g=d-h,y=m*m+g*g,b=r-n,x=c*d-f*h,_=(0>g?-1:1)*Math.sqrt(Math.max(0,b*b*y-x*x)),w=(x*g-m*_)/y,M=(-x*m-g*_)/y,k=(x*g+m*_)/y,A=(-x*m+g*_)/y,T=w-p,E=M-v,S=k-p,L=A-v;return T*T+E*E>S*S+L*L&&(w=k,M=A),[[w-l,M-u],[w*r/b,M*r/b]]}function wo(t){function e(e){function a(){u.push(\"M\",o(t(c),s))}for(var l,u=[],c=[],h=-1,f=e.length,d=St(r),p=St(n);++h<f;)i.call(this,l=e[h],h)?c.push([+d.call(this,l,h),+p.call(this,l,h)]):c.length&&(a(),c=[]);return c.length&&a(),u.length?u.join(\"\"):null}var r=zr,n=Ir,i=Ie,o=Mo,a=o.key,s=.7;return e.x=function(t){return arguments.length?(r=t,e):r},e.y=function(t){return arguments.length?(n=t,e):n},e.defined=function(t){return arguments.length?(i=t,e):i},e.interpolate=function(t){return arguments.length?(a=\"function\"==typeof t?o=t:(o=Dl.get(t)||Mo).key,e):a},e.tension=function(t){return arguments.length?(s=t,e):s},e}function Mo(t){return t.length>1?t.join(\"L\"):t+\"Z\"}function ko(t){return t.join(\"L\")+\"Z\"}function Ao(t){for(var e=0,r=t.length,n=t[0],i=[n[0],\",\",n[1]];++e<r;)i.push(\"H\",(n[0]+(n=t[e])[0])/2,\"V\",n[1]);return r>1&&i.push(\"H\",n[0]),i.join(\"\")}function To(t){for(var e=0,r=t.length,n=t[0],i=[n[0],\",\",n[1]];++e<r;)i.push(\"V\",(n=t[e])[1],\"H\",n[0]);return i.join(\"\")}function Eo(t){for(var e=0,r=t.length,n=t[0],i=[n[0],\",\",n[1]];++e<r;)i.push(\"H\",(n=t[e])[0],\"V\",n[1]);return i.join(\"\")}function So(t,e){return t.length<4?Mo(t):t[1]+Io(t.slice(1,-1),Po(t,e))}function Lo(t,e){return t.length<3?ko(t):t[0]+Io((t.push(t[0]),t),Po([t[t.length-2]].concat(t,[t[1]]),e))}function zo(t,e){return t.length<3?Mo(t):t[0]+Io(t,Po(t,e))}function Io(t,e){if(e.length<1||t.length!=e.length&&t.length!=e.length+2)return Mo(t);var r=t.length!=e.length,n=\"\",i=t[0],o=t[1],a=e[0],s=a,l=1;if(r&&(n+=\"Q\"+(o[0]-2*a[0]/3)+\",\"+(o[1]-2*a[1]/3)+\",\"+o[0]+\",\"+o[1],i=t[1],l=2),e.length>1){s=e[1],o=t[l],l++,n+=\"C\"+(i[0]+a[0])+\",\"+(i[1]+a[1])+\",\"+(o[0]-s[0])+\",\"+(o[1]-s[1])+\",\"+o[0]+\",\"+o[1];for(var u=2;u<e.length;u++,l++)o=t[l],s=e[u],n+=\"S\"+(o[0]-s[0])+\",\"+(o[1]-s[1])+\",\"+o[0]+\",\"+o[1]}if(r){var c=t[l];n+=\"Q\"+(o[0]+2*s[0]/3)+\",\"+(o[1]+2*s[1]/3)+\",\"+c[0]+\",\"+c[1]}return n}function Po(t,e){for(var r,n=[],i=(1-e)/2,o=t[0],a=t[1],s=1,l=t.length;++s<l;)r=o,o=a,a=t[s],n.push([i*(a[0]-r[0]),i*(a[1]-r[1])]);return n}function Co(t){if(t.length<3)return Mo(t);var e=1,r=t.length,n=t[0],i=n[0],o=n[1],a=[i,i,i,(n=t[1])[0]],s=[o,o,o,n[1]],l=[i,\",\",o,\"L\",Fo(jl,a),\",\",Fo(jl,s)];for(t.push(t[r-1]);++e<=r;)n=t[e],a.shift(),a.push(n[0]),s.shift(),s.push(n[1]),jo(l,a,s);return t.pop(),l.push(\"L\",n),l.join(\"\")}function Ro(t){if(t.length<4)return Mo(t);for(var e,r=[],n=-1,i=t.length,o=[0],a=[0];++n<3;)e=t[n],o.push(e[0]),a.push(e[1]);for(r.push(Fo(jl,o)+\",\"+Fo(jl,a)),--n;++n<i;)e=t[n],o.shift(),o.push(e[0]),a.shift(),a.push(e[1]),jo(r,o,a);return r.join(\"\")}function Do(t){for(var e,r,n=-1,i=t.length,o=i+4,a=[],s=[];++n<4;)r=t[n%i],a.push(r[0]),s.push(r[1]);for(e=[Fo(jl,a),\",\",Fo(jl,s)],--n;++n<o;)r=t[n%i],a.shift(),a.push(r[0]),s.shift(),s.push(r[1]),jo(e,a,s);return e.join(\"\")}function Oo(t,e){var r=t.length-1;if(r)for(var n,i,o=t[0][0],a=t[0][1],s=t[r][0]-o,l=t[r][1]-a,u=-1;++u<=r;)n=t[u],i=u/r,n[0]=e*n[0]+(1-e)*(o+i*s),n[1]=e*n[1]+(1-e)*(a+i*l);return Co(t)}function Fo(t,e){return t[0]*e[0]+t[1]*e[1]+t[2]*e[2]+t[3]*e[3]}function jo(t,e,r){t.push(\"C\",Fo(Ol,e),\",\",Fo(Ol,r),\",\",Fo(Fl,e),\",\",Fo(Fl,r),\",\",Fo(jl,e),\",\",Fo(jl,r))}function No(t,e){return(e[1]-t[1])/(e[0]-t[0])}function Bo(t){for(var e=0,r=t.length-1,n=[],i=t[0],o=t[1],a=n[0]=No(i,o);++e<r;)n[e]=(a+(a=No(i=o,o=t[e+1])))/2;return n[e]=a,n}function Uo(t){for(var e,r,n,i,o=[],a=Bo(t),s=-1,l=t.length-1;++s<l;)e=No(t[s],t[s+1]),wa(e)<Na?a[s]=a[s+1]=0:(r=a[s]/e,n=a[s+1]/e,i=r*r+n*n,i>9&&(i=3*e/Math.sqrt(i),a[s]=i*r,a[s+1]=i*n));for(s=-1;++s<=l;)i=(t[Math.min(l,s+1)][0]-t[Math.max(0,s-1)][0])/(6*(1+a[s]*a[s])),o.push([i||0,a[s]*i||0]);return o}function Vo(t){return t.length<3?Mo(t):t[0]+Io(t,Uo(t))}function qo(t){for(var e,r,n,i=-1,o=t.length;++i<o;)e=t[i],r=e[0],n=e[1]-Ga,e[0]=r*Math.cos(n),e[1]=r*Math.sin(n);return t}function Go(t){function e(e){function l(){v.push(\"M\",s(t(g),h),c,u(t(m.reverse()),h),\"Z\")}for(var f,d,p,v=[],m=[],g=[],y=-1,b=e.length,x=St(r),_=St(i),w=r===n?function(){return d}:St(n),M=i===o?function(){return p}:St(o);++y<b;)a.call(this,f=e[y],y)?(m.push([d=+x.call(this,f,y),p=+_.call(this,f,y)]),g.push([+w.call(this,f,y),+M.call(this,f,y)])):m.length&&(l(),m=[],g=[]);return m.length&&l(),v.length?v.join(\"\"):null}var r=zr,n=zr,i=0,o=Ir,a=Ie,s=Mo,l=s.key,u=s,c=\"L\",h=.7;return e.x=function(t){return arguments.length?(r=n=t,e):n},e.x0=function(t){return arguments.length?(r=t,e):r},e.x1=function(t){return arguments.length?(n=t,e):n},e.y=function(t){return arguments.length?(i=o=t,e):o},e.y0=function(t){return arguments.length?(i=t,e):i},e.y1=function(t){return arguments.length?(o=t,e):o},e.defined=function(t){return arguments.length?(a=t,e):a},e.interpolate=function(t){return arguments.length?(l=\"function\"==typeof t?s=t:(s=Dl.get(t)||Mo).key,u=s.reverse||s,c=s.closed?\"M\":\"L\",e):l},e.tension=function(t){return arguments.length?(h=t,e):h},e}function Ho(t){return t.radius}function Xo(t){return[t.x,t.y]}function Yo(t){return function(){var e=t.apply(this,arguments),r=e[0],n=e[1]-Ga;return[r*Math.cos(n),r*Math.sin(n)]}}function Wo(){return 64}function Zo(){return\"circle\"}function Ko(t){var e=Math.sqrt(t/Ua);return\"M0,\"+e+\"A\"+e+\",\"+e+\" 0 1,1 0,\"+-e+\"A\"+e+\",\"+e+\" 0 1,1 0,\"+e+\"Z\"}function Jo(t){return function(){var e,r,n;(e=this[t])&&(n=e[r=e.active])&&(n.timer.c=null,n.timer.t=NaN,--e.count?delete e[r]:delete this[t],e.active+=.5,n.event&&n.event.interrupt.call(this,this.__data__,n.index))}}function $o(t,e,r){return Ea(t,Hl),t.namespace=e,t.id=r,t}function Qo(t,e,r,n){var i=t.id,o=t.namespace;return H(t,\"function\"==typeof r?function(t,a,s){t[o][i].tween.set(e,n(r.call(t,t.__data__,a,s)))}:(r=n(r),function(t){t[o][i].tween.set(e,r)}))}function ta(t){return null==t&&(t=\"\"),function(){this.textContent=t}}function ea(t){return null==t?\"__transition__\":\"__transition_\"+t+\"__\"}function ra(t,e,r,n,i){function o(t){var e=v.delay;return u.t=e+l,t>=e?a(t-e):void(u.c=a)}function a(r){var i=p.active,o=p[i];o&&(o.timer.c=null,o.timer.t=NaN,--p.count,delete p[i],o.event&&o.event.interrupt.call(t,t.__data__,o.index));for(var a in p)if(n>+a){var h=p[a];h.timer.c=null,h.timer.t=NaN,--p.count,delete p[a]}u.c=s,Ct(function(){return u.c&&s(r||1)&&(u.c=null,u.t=NaN),1},0,l),p.active=n,v.event&&v.event.start.call(t,t.__data__,e),d=[],v.tween.forEach(function(r,n){(n=n.call(t,t.__data__,e))&&d.push(n)}),f=v.ease,c=v.duration}function s(i){for(var o=i/c,a=f(o),s=d.length;s>0;)d[--s].call(t,a);return o>=1?(v.event&&v.event.end.call(t,t.__data__,e),--p.count?delete p[n]:delete t[r],1):void 0}var l,u,c,f,d,p=t[r]||(t[r]={active:0,count:0}),v=p[n];v||(l=i.time,u=Ct(o,0,l),v=p[n]={tween:new h,time:l,timer:u,delay:i.delay,duration:i.duration,ease:i.ease,index:e},i=null,++p.count)}function na(t,e,r){t.attr(\"transform\",function(t){var n=e(t);return\"translate(\"+(isFinite(n)?n:r(t))+\",0)\"})}function ia(t,e,r){t.attr(\"transform\",function(t){var n=e(t);return\"translate(0,\"+(isFinite(n)?n:r(t))+\")\"})}function oa(t){return t.toISOString()}function aa(t,e,r){function n(e){return t(e)}function i(t,r){var n=t[1]-t[0],i=n/r,o=ca.bisect(tu,i);return o==tu.length?[e.year,to(t.map(function(t){return t/31536e6}),r)[2]]:o?e[i/tu[o-1]<tu[o]/i?o-1:o]:[nu,to(t,r)[2]]}return n.invert=function(e){return sa(t.invert(e))},n.domain=function(e){return arguments.length?(t.domain(e),n):t.domain().map(sa)},n.nice=function(t,e){function r(r){return!isNaN(r)&&!t.range(r,sa(+r+1),e).length}var o=n.domain(),a=Hi(o),s=null==t?i(a,10):\"number\"==typeof t&&i(a,t);return s&&(t=s[0],e=s[1]),n.domain(Wi(o,e>1?{floor:function(e){for(;r(e=t.floor(e));)e=sa(e-1);return e},ceil:function(e){for(;r(e=t.ceil(e));)e=sa(+e+1);return e}}:t))},n.ticks=function(t,e){var r=Hi(n.domain()),o=null==t?i(r,10):\"number\"==typeof t?i(r,t):!t.range&&[{range:t},e];return o&&(t=o[0],e=o[1]),t.range(r[0],sa(+r[1]+1),1>e?1:e)},n.tickFormat=function(){return r},n.copy=function(){return aa(t.copy(),e,r)},$i(n,t)}function sa(t){return new Date(t)}function la(t){return JSON.parse(t.responseText)}function ua(t){var e=da.createRange();return e.selectNode(da.body),e.createContextualFragment(t.responseText)}var ca={version:\"3.5.16\"},ha=[].slice,fa=function(t){return ha.call(t)},da=this.document;if(da)try{fa(da.documentElement.childNodes)[0].nodeType}catch(pa){fa=function(t){for(var e=t.length,r=new Array(e);e--;)r[e]=t[e];return r}}if(Date.now||(Date.now=function(){return+new Date}),da)try{da.createElement(\"DIV\").style.setProperty(\"opacity\",0,\"\")}catch(va){var ma=this.Element.prototype,ga=ma.setAttribute,ya=ma.setAttributeNS,ba=this.CSSStyleDeclaration.prototype,xa=ba.setProperty;ma.setAttribute=function(t,e){ga.call(this,t,e+\"\")},ma.setAttributeNS=function(t,e,r){ya.call(this,t,e,r+\"\")},ba.setProperty=function(t,e,r){xa.call(this,t,e+\"\",r)}}ca.ascending=i,ca.descending=function(t,e){return t>e?-1:e>t?1:e>=t?0:NaN},ca.min=function(t,e){var r,n,i=-1,o=t.length;if(1===arguments.length){for(;++i<o;)if(null!=(n=t[i])&&n>=n){r=n;break}for(;++i<o;)null!=(n=t[i])&&r>n&&(r=n)}else{for(;++i<o;)if(null!=(n=e.call(t,t[i],i))&&n>=n){r=n;break}for(;++i<o;)null!=(n=e.call(t,t[i],i))&&r>n&&(r=n)}return r},ca.max=function(t,e){var r,n,i=-1,o=t.length;if(1===arguments.length){for(;++i<o;)if(null!=(n=t[i])&&n>=n){r=n;break}for(;++i<o;)null!=(n=t[i])&&n>r&&(r=n)}else{for(;++i<o;)if(null!=(n=e.call(t,t[i],i))&&n>=n){r=n;break}for(;++i<o;)null!=(n=e.call(t,t[i],i))&&n>r&&(r=n)}return r},ca.extent=function(t,e){var r,n,i,o=-1,a=t.length;if(1===arguments.length){for(;++o<a;)if(null!=(n=t[o])&&n>=n){r=i=n;break}for(;++o<a;)null!=(n=t[o])&&(r>n&&(r=n),n>i&&(i=n))}else{for(;++o<a;)if(null!=(n=e.call(t,t[o],o))&&n>=n){r=i=n;break}for(;++o<a;)null!=(n=e.call(t,t[o],o))&&(r>n&&(r=n),n>i&&(i=n))}return[r,i]},ca.sum=function(t,e){var r,n=0,i=t.length,o=-1;if(1===arguments.length)for(;++o<i;)a(r=+t[o])&&(n+=r);else for(;++o<i;)a(r=+e.call(t,t[o],o))&&(n+=r);return n},ca.mean=function(t,e){var r,n=0,i=t.length,s=-1,l=i;if(1===arguments.length)for(;++s<i;)a(r=o(t[s]))?n+=r:--l;else for(;++s<i;)a(r=o(e.call(t,t[s],s)))?n+=r:--l;return l?n/l:void 0},ca.quantile=function(t,e){var r=(t.length-1)*e+1,n=Math.floor(r),i=+t[n-1],o=r-n;return o?i+o*(t[n]-i):i},ca.median=function(t,e){var r,n=[],s=t.length,l=-1;if(1===arguments.length)for(;++l<s;)a(r=o(t[l]))&&n.push(r);else for(;++l<s;)a(r=o(e.call(t,t[l],l)))&&n.push(r);return n.length?ca.quantile(n.sort(i),.5):void 0},ca.variance=function(t,e){var r,n,i=t.length,s=0,l=0,u=-1,c=0;if(1===arguments.length)for(;++u<i;)a(r=o(t[u]))&&(n=r-s,s+=n/++c,l+=n*(r-s));else for(;++u<i;)a(r=o(e.call(t,t[u],u)))&&(n=r-s,s+=n/++c,l+=n*(r-s));return c>1?l/(c-1):void 0},ca.deviation=function(){var t=ca.variance.apply(this,arguments);return t?Math.sqrt(t):t};var _a=s(i);ca.bisectLeft=_a.left,ca.bisect=ca.bisectRight=_a.right,ca.bisector=function(t){return s(1===t.length?function(e,r){return i(t(e),r)}:t)},ca.shuffle=function(t,e,r){(o=arguments.length)<3&&(r=t.length,2>o&&(e=0));for(var n,i,o=r-e;o;)i=Math.random()*o--|0,n=t[o+e],t[o+e]=t[i+e],t[i+e]=n;return t},ca.permute=function(t,e){for(var r=e.length,n=new Array(r);r--;)n[r]=t[e[r]];return n},ca.pairs=function(t){for(var e,r=0,n=t.length-1,i=t[0],o=new Array(0>n?0:n);n>r;)o[r]=[e=i,i=t[++r]];return o},ca.transpose=function(t){if(!(i=t.length))return[];for(var e=-1,r=ca.min(t,l),n=new Array(r);++e<r;)for(var i,o=-1,a=n[e]=new Array(i);++o<i;)a[o]=t[o][e];return n},ca.zip=function(){return ca.transpose(arguments)},ca.keys=function(t){var e=[];for(var r in t)e.push(r);return e},ca.values=function(t){var e=[];for(var r in t)e.push(t[r]);return e},ca.entries=function(t){var e=[];for(var r in t)e.push({key:r,value:t[r]});return e},ca.merge=function(t){for(var e,r,n,i=t.length,o=-1,a=0;++o<i;)a+=t[o].length;for(r=new Array(a);--i>=0;)for(n=t[i],e=n.length;--e>=0;)r[--a]=n[e];return r};var wa=Math.abs;ca.range=function(t,e,r){if(arguments.length<3&&(r=1,arguments.length<2&&(e=t,t=0)),(e-t)/r===1/0)throw new Error(\"infinite range\");var n,i=[],o=u(wa(r)),a=-1;if(t*=o,e*=o,r*=o,0>r)for(;(n=t+r*++a)>e;)i.push(n/o);else for(;(n=t+r*++a)<e;)i.push(n/o);return i},ca.map=function(t,e){var r=new h;if(t instanceof h)t.forEach(function(t,e){r.set(t,e)});else if(Array.isArray(t)){var n,i=-1,o=t.length;if(1===arguments.length)for(;++i<o;)r.set(i,t[i]);else for(;++i<o;)r.set(e.call(t,n=t[i],i),n)}else for(var a in t)r.set(a,t[a]);return r};var Ma=\"__proto__\",ka=\"\\x00\";c(h,{has:p,get:function(t){return this._[f(t)]},set:function(t,e){return this._[f(t)]=e},remove:v,keys:m,values:function(){var t=[];for(var e in this._)t.push(this._[e]);return t},entries:function(){var t=[];for(var e in this._)t.push({key:d(e),value:this._[e]});return t},size:g,empty:y,forEach:function(t){for(var e in this._)t.call(this,d(e),this._[e])}}),ca.nest=function(){function t(e,a,s){if(s>=o.length)return n?n.call(i,a):r?a.sort(r):a;for(var l,u,c,f,d=-1,p=a.length,v=o[s++],m=new h;++d<p;)(f=m.get(l=v(u=a[d])))?f.push(u):m.set(l,[u]);return e?(u=e(),c=function(r,n){u.set(r,t(e,n,s))}):(u={},c=function(r,n){u[r]=t(e,n,s)}),m.forEach(c),u}function e(t,r){if(r>=o.length)return t;var n=[],i=a[r++];return t.forEach(function(t,i){n.push({key:t,values:e(i,r)})}),i?n.sort(function(t,e){return i(t.key,e.key)}):n}var r,n,i={},o=[],a=[];return i.map=function(e,r){return t(r,e,0)},i.entries=function(r){return e(t(ca.map,r,0),0)},i.key=function(t){return o.push(t),i},i.sortKeys=function(t){return a[o.length-1]=t,i},i.sortValues=function(t){return r=t,i},i.rollup=function(t){return n=t,i},i},ca.set=function(t){var e=new b;if(t)for(var r=0,n=t.length;n>r;++r)e.add(t[r]);return e},c(b,{has:p,add:function(t){return this._[f(t+=\"\")]=!0,t},remove:v,values:m,size:g,empty:y,forEach:function(t){for(var e in this._)t.call(this,d(e))}}),ca.behavior={},ca.rebind=function(t,e){for(var r,n=1,i=arguments.length;++n<i;)t[r=arguments[n]]=_(t,e,e[r]);return t};var Aa=[\"webkit\",\"ms\",\"moz\",\"Moz\",\"o\",\"O\"];ca.dispatch=function(){for(var t=new k,e=-1,r=arguments.length;++e<r;)t[arguments[e]]=A(t);return t},k.prototype.on=function(t,e){var r=t.indexOf(\".\"),n=\"\";if(r>=0&&(n=t.slice(r+1),t=t.slice(0,r)),t)return arguments.length<2?this[t].on(n):this[t].on(n,e);if(2===arguments.length){if(null==e)for(t in this)this.hasOwnProperty(t)&&this[t].on(n,null);return this}},ca.event=null,ca.requote=function(t){return t.replace(Ta,\"\\\\$&\")};var Ta=/[\\\\\\^\\$\\*\\+\\?\\|\\[\\]\\(\\)\\.\\{\\}]/g,Ea={}.__proto__?function(t,e){t.__proto__=e}:function(t,e){for(var r in e)t[r]=e[r]},Sa=function(t,e){return e.querySelector(t)},La=function(t,e){return e.querySelectorAll(t)},za=function(t,e){var r=t.matches||t[w(t,\"matchesSelector\")];return(za=function(t,e){return r.call(t,e)})(t,e)};\"function\"==typeof Sizzle&&(Sa=function(t,e){return Sizzle(t,e)[0]||null},La=Sizzle,za=Sizzle.matchesSelector),ca.selection=function(){return ca.select(da.documentElement)};var Ia=ca.selection.prototype=[];Ia.select=function(t){var e,r,n,i,o=[];t=z(t);for(var a=-1,s=this.length;++a<s;){o.push(e=[]),e.parentNode=(n=this[a]).parentNode;for(var l=-1,u=n.length;++l<u;)(i=n[l])?(e.push(r=t.call(i,i.__data__,l,a)),r&&\"__data__\"in i&&(r.__data__=i.__data__)):e.push(null)}return L(o)},Ia.selectAll=function(t){var e,r,n=[];t=I(t);for(var i=-1,o=this.length;++i<o;)for(var a=this[i],s=-1,l=a.length;++s<l;)(r=a[s])&&(n.push(e=fa(t.call(r,r.__data__,s,i))),e.parentNode=r);return L(n)};var Pa=\"http://www.w3.org/1999/xhtml\",Ca={svg:\"http://www.w3.org/2000/svg\",xhtml:Pa,xlink:\"http://www.w3.org/1999/xlink\",xml:\"http://www.w3.org/XML/1998/namespace\",xmlns:\"http://www.w3.org/2000/xmlns/\"};ca.ns={prefix:Ca,qualify:function(t){var e=t.indexOf(\":\"),r=t;return e>=0&&\"xmlns\"!==(r=t.slice(0,e))&&(t=t.slice(e+1)),Ca.hasOwnProperty(r)?{space:Ca[r],local:t}:t}},Ia.attr=function(t,e){if(arguments.length<2){if(\"string\"==typeof t){var r=this.node();return t=ca.ns.qualify(t),t.local?r.getAttributeNS(t.space,t.local):r.getAttribute(t)}for(e in t)this.each(P(e,t[e]));return this}return this.each(P(t,e))},Ia.classed=function(t,e){if(arguments.length<2){if(\"string\"==typeof t){var r=this.node(),n=(t=D(t)).length,i=-1;if(e=r.classList){for(;++i<n;)if(!e.contains(t[i]))return!1}else for(e=r.getAttribute(\"class\");++i<n;)if(!R(t[i]).test(e))return!1;return!0}for(e in t)this.each(O(e,t[e]));return this}return this.each(O(t,e))},Ia.style=function(t,e,r){var i=arguments.length;if(3>i){if(\"string\"!=typeof t){2>i&&(e=\"\");for(r in t)this.each(j(r,t[r],e));return this}if(2>i){var o=this.node();return n(o).getComputedStyle(o,null).getPropertyValue(t)}r=\"\"}return this.each(j(t,e,r))},Ia.property=function(t,e){if(arguments.length<2){if(\"string\"==typeof t)return this.node()[t];for(e in t)this.each(N(e,t[e]));return this}return this.each(N(t,e))},Ia.text=function(t){return arguments.length?this.each(\"function\"==typeof t?function(){var e=t.apply(this,arguments);this.textContent=null==e?\"\":e}:null==t?function(){this.textContent=\"\"}:function(){this.textContent=t}):this.node().textContent},Ia.html=function(t){return arguments.length?this.each(\"function\"==typeof t?function(){var e=t.apply(this,arguments);this.innerHTML=null==e?\"\":e}:null==t?function(){this.innerHTML=\"\"}:function(){this.innerHTML=t}):this.node().innerHTML},Ia.append=function(t){return t=B(t),this.select(function(){return this.appendChild(t.apply(this,arguments))})},Ia.insert=function(t,e){return t=B(t),e=z(e),this.select(function(){return this.insertBefore(t.apply(this,arguments),e.apply(this,arguments)||null)})},Ia.remove=function(){return this.each(U)},Ia.data=function(t,e){function r(t,r){var n,i,o,a=t.length,c=r.length,f=Math.min(a,c),d=new Array(c),p=new Array(c),v=new Array(a);if(e){var m,g=new h,y=new Array(a);for(n=-1;++n<a;)(i=t[n])&&(g.has(m=e.call(i,i.__data__,n))?v[n]=i:g.set(m,i),y[n]=m);for(n=-1;++n<c;)(i=g.get(m=e.call(r,o=r[n],n)))?i!==!0&&(d[n]=i,i.__data__=o):p[n]=V(o),g.set(m,!0);for(n=-1;++n<a;)n in y&&g.get(y[n])!==!0&&(v[n]=t[n])}else{for(n=-1;++n<f;)i=t[n],o=r[n],i?(i.__data__=o,d[n]=i):p[n]=V(o);for(;c>n;++n)p[n]=V(r[n]);for(;a>n;++n)v[n]=t[n]}p.update=d,p.parentNode=d.parentNode=v.parentNode=t.parentNode,s.push(p),l.push(d),u.push(v)}var n,i,o=-1,a=this.length;if(!arguments.length){for(t=new Array(a=(n=this[0]).length);++o<a;)(i=n[o])&&(t[o]=i.__data__);return t}var s=X([]),l=L([]),u=L([]);if(\"function\"==typeof t)for(;++o<a;)r(n=this[o],t.call(n,n.parentNode.__data__,o));else for(;++o<a;)r(n=this[o],t);return l.enter=function(){return s},l.exit=function(){return u},l},Ia.datum=function(t){return arguments.length?this.property(\"__data__\",t):this.property(\"__data__\")},Ia.filter=function(t){var e,r,n,i=[];\"function\"!=typeof t&&(t=q(t));for(var o=0,a=this.length;a>o;o++){i.push(e=[]),e.parentNode=(r=this[o]).parentNode;for(var s=0,l=r.length;l>s;s++)(n=r[s])&&t.call(n,n.__data__,s,o)&&e.push(n)}return L(i)},Ia.order=function(){for(var t=-1,e=this.length;++t<e;)for(var r,n=this[t],i=n.length-1,o=n[i];--i>=0;)(r=n[i])&&(o&&o!==r.nextSibling&&o.parentNode.insertBefore(r,o),o=r);return this},Ia.sort=function(t){t=G.apply(this,arguments);for(var e=-1,r=this.length;++e<r;)this[e].sort(t);return this.order()},Ia.each=function(t){return H(this,function(e,r,n){t.call(e,e.__data__,r,n)})},Ia.call=function(t){var e=fa(arguments);return t.apply(e[0]=this,e),this},Ia.empty=function(){return!this.node()},Ia.node=function(){for(var t=0,e=this.length;e>t;t++)for(var r=this[t],n=0,i=r.length;i>n;n++){var o=r[n];if(o)return o}return null},Ia.size=function(){var t=0;return H(this,function(){++t}),t};var Ra=[];ca.selection.enter=X,ca.selection.enter.prototype=Ra,Ra.append=Ia.append,Ra.empty=Ia.empty,Ra.node=Ia.node,Ra.call=Ia.call,Ra.size=Ia.size,Ra.select=function(t){for(var e,r,n,i,o,a=[],s=-1,l=this.length;++s<l;){n=(i=this[s]).update,a.push(e=[]),e.parentNode=i.parentNode;for(var u=-1,c=i.length;++u<c;)(o=i[u])?(e.push(n[u]=r=t.call(i.parentNode,o.__data__,u,s)),r.__data__=o.__data__):e.push(null)}return L(a)},Ra.insert=function(t,e){return arguments.length<2&&(e=Y(this)),Ia.insert.call(this,t,e)},ca.select=function(t){var r;return\"string\"==typeof t?(r=[Sa(t,da)],r.parentNode=da.documentElement):(r=[t],r.parentNode=e(t)),L([r])},ca.selectAll=function(t){var e;return\"string\"==typeof t?(e=fa(La(t,da)),e.parentNode=da.documentElement):(e=fa(t),e.parentNode=null),L([e])},Ia.on=function(t,e,r){var n=arguments.length;if(3>n){if(\"string\"!=typeof t){2>n&&(e=!1);for(r in t)this.each(W(r,t[r],e));return this}if(2>n)return(n=this.node()[\"__on\"+t])&&n._;r=!1}return this.each(W(t,e,r))};var Da=ca.map({mouseenter:\"mouseover\",mouseleave:\"mouseout\"});da&&Da.forEach(function(t){\"on\"+t in da&&Da.remove(t)});var Oa,Fa=0;ca.mouse=function(t){return $(t,E())};var ja=this.navigator&&/WebKit/.test(this.navigator.userAgent)?-1:0;ca.touch=function(t,e,r){if(arguments.length<3&&(r=e,e=E().changedTouches),e)for(var n,i=0,o=e.length;o>i;++i)if((n=e[i]).identifier===r)return $(t,n)},ca.behavior.drag=function(){function t(){this.on(\"mousedown.drag\",o).on(\"touchstart.drag\",a)}function e(t,e,n,o,a){return function(){function s(){var t,r,n=e(f,v);n&&(t=n[0]-b[0],r=n[1]-b[1],p|=t|r,b=n,d({type:\"drag\",x:n[0]+u[0],y:n[1]+u[1],dx:t,dy:r}))}function l(){e(f,v)&&(g.on(o+m,null).on(a+m,null),y(p),d({type:\"dragend\"}))}var u,c=this,h=ca.event.target.correspondingElement||ca.event.target,f=c.parentNode,d=r.of(c,arguments),p=0,v=t(),m=\".drag\"+(null==v?\"\":\"-\"+v),g=ca.select(n(h)).on(o+m,s).on(a+m,l),y=J(h),b=e(f,v);i?(u=i.apply(c,arguments),u=[u.x-b[0],u.y-b[1]]):u=[0,0],d({type:\"dragstart\"})}}var r=S(t,\"drag\",\"dragstart\",\"dragend\"),i=null,o=e(M,ca.mouse,n,\"mousemove\",\"mouseup\"),a=e(Q,ca.touch,x,\"touchmove\",\"touchend\");return t.origin=function(e){return arguments.length?(i=e,t):i},ca.rebind(t,r,\"on\")},ca.touches=function(t,e){return arguments.length<2&&(e=E().touches),e?fa(e).map(function(e){var r=$(t,e);return r.identifier=e.identifier,r}):[]};var Na=1e-6,Ba=Na*Na,Ua=Math.PI,Va=2*Ua,qa=Va-Na,Ga=Ua/2,Ha=Ua/180,Xa=180/Ua,Ya=Math.SQRT2,Wa=2,Za=4;ca.interpolateZoom=function(t,e){var r,n,i=t[0],o=t[1],a=t[2],s=e[0],l=e[1],u=e[2],c=s-i,h=l-o,f=c*c+h*h;if(Ba>f)n=Math.log(u/a)/Ya,r=function(t){return[i+t*c,o+t*h,a*Math.exp(Ya*t*n)]};else{var d=Math.sqrt(f),p=(u*u-a*a+Za*f)/(2*a*Wa*d),v=(u*u-a*a-Za*f)/(2*u*Wa*d),m=Math.log(Math.sqrt(p*p+1)-p),g=Math.log(Math.sqrt(v*v+1)-v);n=(g-m)/Ya,r=function(t){var e=t*n,r=ot(m),s=a/(Wa*d)*(r*at(Ya*e+m)-it(m));return[i+s*c,o+s*h,a*r/ot(Ya*e+m)]}}return r.duration=1e3*n,r},ca.behavior.zoom=function(){function t(t){t.on(I,h).on(Ja+\".zoom\",d).on(\"dblclick.zoom\",p).on(R,f)}function e(t){return[(t[0]-k.x)/k.k,(t[1]-k.y)/k.k]}function r(t){return[t[0]*k.k+k.x,t[1]*k.k+k.y]}function i(t){k.k=Math.max(E[0],Math.min(E[1],t))}function o(t,e){e=r(e),k.x+=t[0]-e[0],k.y+=t[1]-e[1]}function a(e,r,n,a){e.__chart__={x:k.x,y:k.y,k:k.k},i(Math.pow(2,a)),o(m=r,n),e=ca.select(e),L>0&&(e=e.transition().duration(L)),e.call(t.event)}function s(){_&&_.domain(x.range().map(function(t){return(t-k.x)/k.k}).map(x.invert)),M&&M.domain(w.range().map(function(t){return(t-k.y)/k.k}).map(w.invert))}function l(t){z++||t({type:\"zoomstart\"})}function u(t){s(),t({type:\"zoom\",scale:k.k,translate:[k.x,k.y]})}function c(t){--z||(t({type:\"zoomend\"}),m=null)}function h(){function t(){s=1,o(ca.mouse(i),f),u(a)}function r(){h.on(P,null).on(C,null),d(s),c(a)}var i=this,a=D.of(i,arguments),s=0,h=ca.select(n(i)).on(P,t).on(C,r),f=e(ca.mouse(i)),d=J(i);Gl.call(i),l(a)}function f(){function t(){var t=ca.touches(p);return d=k.k,t.forEach(function(t){t.identifier in m&&(m[t.identifier]=e(t))}),t}function r(){var e=ca.event.target;ca.select(e).on(x,n).on(_,s),w.push(e);for(var r=ca.event.changedTouches,i=0,o=r.length;o>i;++i)m[r[i].identifier]=null;var l=t(),u=Date.now();if(1===l.length){if(500>u-b){var c=l[0];a(p,c,m[c.identifier],Math.floor(Math.log(k.k)/Math.LN2)+1),T()}b=u}else if(l.length>1){var c=l[0],h=l[1],f=c[0]-h[0],d=c[1]-h[1];g=f*f+d*d}}function n(){var t,e,r,n,a=ca.touches(p);Gl.call(p);for(var s=0,l=a.length;l>s;++s,n=null)if(r=a[s],n=m[r.identifier]){if(e)break;t=r,e=n}if(n){var c=(c=r[0]-t[0])*c+(c=r[1]-t[1])*c,h=g&&Math.sqrt(c/g);t=[(t[0]+r[0])/2,(t[1]+r[1])/2],e=[(e[0]+n[0])/2,(e[1]+n[1])/2],i(h*d)}b=null,o(t,e),u(v)}function s(){if(ca.event.touches.length){for(var e=ca.event.changedTouches,r=0,n=e.length;n>r;++r)delete m[e[r].identifier];for(var i in m)return void t()}ca.selectAll(w).on(y,null),M.on(I,h).on(R,f),A(),c(v)}var d,p=this,v=D.of(p,arguments),m={},g=0,y=\".zoom-\"+ca.event.changedTouches[0].identifier,x=\"touchmove\"+y,_=\"touchend\"+y,w=[],M=ca.select(p),A=J(p);r(),l(v),M.on(I,null).on(R,r)}function d(){var t=D.of(this,arguments);y?clearTimeout(y):(Gl.call(this),v=e(m=g||ca.mouse(this)),l(t)),y=setTimeout(function(){y=null,c(t)},50),T(),i(Math.pow(2,.002*Ka())*k.k),o(m,v),u(t)}function p(){var t=ca.mouse(this),r=Math.log(k.k)/Math.LN2;a(this,t,e(t),ca.event.shiftKey?Math.ceil(r)-1:Math.floor(r)+1)}var v,m,g,y,b,x,_,w,M,k={x:0,y:0,k:1},A=[960,500],E=$a,L=250,z=0,I=\"mousedown.zoom\",P=\"mousemove.zoom\",C=\"mouseup.zoom\",R=\"touchstart.zoom\",D=S(t,\"zoomstart\",\"zoom\",\"zoomend\");return Ja||(Ja=\"onwheel\"in da?(Ka=function(){return-ca.event.deltaY*(ca.event.deltaMode?120:1)},\"wheel\"):\"onmousewheel\"in da?(Ka=function(){return ca.event.wheelDelta},\"mousewheel\"):(Ka=function(){return-ca.event.detail},\"MozMousePixelScroll\")),t.event=function(t){t.each(function(){var t=D.of(this,arguments),e=k;Vl?ca.select(this).transition().each(\"start.zoom\",function(){k=this.__chart__||{x:0,y:0,k:1},l(t)}).tween(\"zoom:zoom\",function(){var r=A[0],n=A[1],i=m?m[0]:r/2,o=m?m[1]:n/2,a=ca.interpolateZoom([(i-k.x)/k.k,(o-k.y)/k.k,r/k.k],[(i-e.x)/e.k,(o-e.y)/e.k,r/e.k]);return function(e){var n=a(e),s=r/n[2];this.__chart__=k={x:i-n[0]*s,y:o-n[1]*s,k:s},u(t)}}).each(\"interrupt.zoom\",function(){c(t)}).each(\"end.zoom\",function(){c(t)}):(this.__chart__=k,l(t),u(t),c(t))})},t.translate=function(e){return arguments.length?(k={x:+e[0],y:+e[1],k:k.k},s(),t):[k.x,k.y]},t.scale=function(e){return arguments.length?(k={x:k.x,y:k.y,k:null},i(+e),s(),t):k.k},t.scaleExtent=function(e){return arguments.length?(E=null==e?$a:[+e[0],+e[1]],t):E},t.center=function(e){return arguments.length?(g=e&&[+e[0],+e[1]],t):g},t.size=function(e){return arguments.length?(A=e&&[+e[0],+e[1]],t):A},t.duration=function(e){return arguments.length?(L=+e,t):L},t.x=function(e){return arguments.length?(_=e,x=e.copy(),k={x:0,y:0,k:1},t):_},t.y=function(e){return arguments.length?(M=e,w=e.copy(),k={x:0,y:0,k:1},t):M},ca.rebind(t,D,\"on\")};var Ka,Ja,$a=[0,1/0];ca.color=lt,lt.prototype.toString=function(){return this.rgb()+\"\"},ca.hsl=ut;var Qa=ut.prototype=new lt;Qa.brighter=function(t){return t=Math.pow(.7,arguments.length?t:1),new ut(this.h,this.s,this.l/t)},Qa.darker=function(t){return t=Math.pow(.7,arguments.length?t:1),new ut(this.h,this.s,t*this.l)},Qa.rgb=function(){return ct(this.h,this.s,this.l)},ca.hcl=ht;var ts=ht.prototype=new lt;ts.brighter=function(t){return new ht(this.h,this.c,Math.min(100,this.l+es*(arguments.length?t:1)))},ts.darker=function(t){return new ht(this.h,this.c,Math.max(0,this.l-es*(arguments.length?t:1)))},ts.rgb=function(){return ft(this.h,this.c,this.l).rgb()},ca.lab=dt;var es=18,rs=.95047,ns=1,is=1.08883,os=dt.prototype=new lt;os.brighter=function(t){return new dt(Math.min(100,this.l+es*(arguments.length?t:1)),this.a,this.b)},os.darker=function(t){return new dt(Math.max(0,this.l-es*(arguments.length?t:1)),this.a,this.b)},os.rgb=function(){return pt(this.l,this.a,this.b)},ca.rgb=bt;var as=bt.prototype=new lt;as.brighter=function(t){t=Math.pow(.7,arguments.length?t:1);var e=this.r,r=this.g,n=this.b,i=30;return e||r||n?(e&&i>e&&(e=i),r&&i>r&&(r=i),n&&i>n&&(n=i),new bt(Math.min(255,e/t),Math.min(255,r/t),Math.min(255,n/t))):new bt(i,i,i)},as.darker=function(t){return t=Math.pow(.7,arguments.length?t:1),new bt(t*this.r,t*this.g,t*this.b)},as.hsl=function(){return kt(this.r,this.g,this.b)},as.toString=function(){return\"#\"+wt(this.r)+wt(this.g)+wt(this.b)};var ss=ca.map({aliceblue:15792383,antiquewhite:16444375,aqua:65535,aquamarine:8388564,azure:15794175,beige:16119260,bisque:16770244,black:0,blanchedalmond:16772045,blue:255,blueviolet:9055202,brown:10824234,burlywood:14596231,cadetblue:6266528,chartreuse:8388352,chocolate:13789470,coral:16744272,cornflowerblue:6591981,cornsilk:16775388,crimson:14423100,cyan:65535,darkblue:139,darkcyan:35723,darkgoldenrod:12092939,\ndarkgray:11119017,darkgreen:25600,darkgrey:11119017,darkkhaki:12433259,darkmagenta:9109643,darkolivegreen:5597999,darkorange:16747520,darkorchid:10040012,darkred:9109504,darksalmon:15308410,darkseagreen:9419919,darkslateblue:4734347,darkslategray:3100495,darkslategrey:3100495,darkturquoise:52945,darkviolet:9699539,deeppink:16716947,deepskyblue:49151,dimgray:6908265,dimgrey:6908265,dodgerblue:2003199,firebrick:11674146,floralwhite:16775920,forestgreen:2263842,fuchsia:16711935,gainsboro:14474460,ghostwhite:16316671,gold:16766720,goldenrod:14329120,gray:8421504,green:32768,greenyellow:11403055,grey:8421504,honeydew:15794160,hotpink:16738740,indianred:13458524,indigo:4915330,ivory:16777200,khaki:15787660,lavender:15132410,lavenderblush:16773365,lawngreen:8190976,lemonchiffon:16775885,lightblue:11393254,lightcoral:15761536,lightcyan:14745599,lightgoldenrodyellow:16448210,lightgray:13882323,lightgreen:9498256,lightgrey:13882323,lightpink:16758465,lightsalmon:16752762,lightseagreen:2142890,lightskyblue:8900346,lightslategray:7833753,lightslategrey:7833753,lightsteelblue:11584734,lightyellow:16777184,lime:65280,limegreen:3329330,linen:16445670,magenta:16711935,maroon:8388608,mediumaquamarine:6737322,mediumblue:205,mediumorchid:12211667,mediumpurple:9662683,mediumseagreen:3978097,mediumslateblue:8087790,mediumspringgreen:64154,mediumturquoise:4772300,mediumvioletred:13047173,midnightblue:1644912,mintcream:16121850,mistyrose:16770273,moccasin:16770229,navajowhite:16768685,navy:128,oldlace:16643558,olive:8421376,olivedrab:7048739,orange:16753920,orangered:16729344,orchid:14315734,palegoldenrod:15657130,palegreen:10025880,paleturquoise:11529966,palevioletred:14381203,papayawhip:16773077,peachpuff:16767673,peru:13468991,pink:16761035,plum:14524637,powderblue:11591910,purple:8388736,rebeccapurple:6697881,red:16711680,rosybrown:12357519,royalblue:4286945,saddlebrown:9127187,salmon:16416882,sandybrown:16032864,seagreen:3050327,seashell:16774638,sienna:10506797,silver:12632256,skyblue:8900331,slateblue:6970061,slategray:7372944,slategrey:7372944,snow:16775930,springgreen:65407,steelblue:4620980,tan:13808780,teal:32896,thistle:14204888,tomato:16737095,turquoise:4251856,violet:15631086,wheat:16113331,white:16777215,whitesmoke:16119285,yellow:16776960,yellowgreen:10145074});ss.forEach(function(t,e){ss.set(t,xt(e))}),ca.functor=St,ca.xhr=Lt(x),ca.dsv=function(t,e){function r(t,r,o){arguments.length<3&&(o=r,r=null);var a=zt(t,e,null==r?n:i(r),o);return a.row=function(t){return arguments.length?a.response(null==(r=t)?n:i(t)):r},a}function n(t){return r.parse(t.responseText)}function i(t){return function(e){return r.parse(e.responseText,t)}}function o(e){return e.map(a).join(t)}function a(t){return s.test(t)?'\"'+t.replace(/\\\"/g,'\"\"')+'\"':t}var s=new RegExp('[\"'+t+\"\\n]\"),l=t.charCodeAt(0);return r.parse=function(t,e){var n;return r.parseRows(t,function(t,r){if(n)return n(t,r-1);var i=new Function(\"d\",\"return {\"+t.map(function(t,e){return JSON.stringify(t)+\": d[\"+e+\"]\"}).join(\",\")+\"}\");n=e?function(t,r){return e(i(t),r)}:i})},r.parseRows=function(t,e){function r(){if(c>=u)return a;if(i)return i=!1,o;var e=c;if(34===t.charCodeAt(e)){for(var r=e;r++<u;)if(34===t.charCodeAt(r)){if(34!==t.charCodeAt(r+1))break;++r}c=r+2;var n=t.charCodeAt(r+1);return 13===n?(i=!0,10===t.charCodeAt(r+2)&&++c):10===n&&(i=!0),t.slice(e+1,r).replace(/\"\"/g,'\"')}for(;u>c;){var n=t.charCodeAt(c++),s=1;if(10===n)i=!0;else if(13===n)i=!0,10===t.charCodeAt(c)&&(++c,++s);else if(n!==l)continue;return t.slice(e,c-s)}return t.slice(e)}for(var n,i,o={},a={},s=[],u=t.length,c=0,h=0;(n=r())!==a;){for(var f=[];n!==o&&n!==a;)f.push(n),n=r();e&&null==(f=e(f,h++))||s.push(f)}return s},r.format=function(e){if(Array.isArray(e[0]))return r.formatRows(e);var n=new b,i=[];return e.forEach(function(t){for(var e in t)n.has(e)||i.push(n.add(e))}),[i.map(a).join(t)].concat(e.map(function(e){return i.map(function(t){return a(e[t])}).join(t)})).join(\"\\n\")},r.formatRows=function(t){return t.map(o).join(\"\\n\")},r},ca.csv=ca.dsv(\",\",\"text/csv\"),ca.tsv=ca.dsv(\"\t\",\"text/tab-separated-values\");var ls,us,cs,hs,fs=this[w(this,\"requestAnimationFrame\")]||function(t){setTimeout(t,17)};ca.timer=function(){Ct.apply(this,arguments)},ca.timer.flush=function(){Dt(),Ot()},ca.round=function(t,e){return e?Math.round(t*(e=Math.pow(10,e)))/e:Math.round(t)};var ds=[\"y\",\"z\",\"a\",\"f\",\"p\",\"n\",\"\\xb5\",\"m\",\"\",\"k\",\"M\",\"G\",\"T\",\"P\",\"E\",\"Z\",\"Y\"].map(jt);ca.formatPrefix=function(t,e){var r=0;return(t=+t)&&(0>t&&(t*=-1),e&&(t=ca.round(t,Ft(t,e))),r=1+Math.floor(1e-12+Math.log(t)/Math.LN10),r=Math.max(-24,Math.min(24,3*Math.floor((r-1)/3)))),ds[8+r/3]};var ps=/(?:([^{])?([<>=^]))?([+\\- ])?([$#])?(0)?(\\d+)?(,)?(\\.-?\\d+)?([a-z%])?/i,vs=ca.map({b:function(t){return t.toString(2)},c:function(t){return String.fromCharCode(t)},o:function(t){return t.toString(8)},x:function(t){return t.toString(16)},X:function(t){return t.toString(16).toUpperCase()},g:function(t,e){return t.toPrecision(e)},e:function(t,e){return t.toExponential(e)},f:function(t,e){return t.toFixed(e)},r:function(t,e){return(t=ca.round(t,Ft(t,e))).toFixed(Math.max(0,Math.min(20,Ft(t*(1+1e-15),e))))}}),ms=ca.time={},gs=Date;Ut.prototype={getDate:function(){return this._.getUTCDate()},getDay:function(){return this._.getUTCDay()},getFullYear:function(){return this._.getUTCFullYear()},getHours:function(){return this._.getUTCHours()},getMilliseconds:function(){return this._.getUTCMilliseconds()},getMinutes:function(){return this._.getUTCMinutes()},getMonth:function(){return this._.getUTCMonth()},getSeconds:function(){return this._.getUTCSeconds()},getTime:function(){return this._.getTime()},getTimezoneOffset:function(){return 0},valueOf:function(){return this._.valueOf()},setDate:function(){ys.setUTCDate.apply(this._,arguments)},setDay:function(){ys.setUTCDay.apply(this._,arguments)},setFullYear:function(){ys.setUTCFullYear.apply(this._,arguments)},setHours:function(){ys.setUTCHours.apply(this._,arguments)},setMilliseconds:function(){ys.setUTCMilliseconds.apply(this._,arguments)},setMinutes:function(){ys.setUTCMinutes.apply(this._,arguments)},setMonth:function(){ys.setUTCMonth.apply(this._,arguments)},setSeconds:function(){ys.setUTCSeconds.apply(this._,arguments)},setTime:function(){ys.setTime.apply(this._,arguments)}};var ys=Date.prototype;ms.year=Vt(function(t){return t=ms.day(t),t.setMonth(0,1),t},function(t,e){t.setFullYear(t.getFullYear()+e)},function(t){return t.getFullYear()}),ms.years=ms.year.range,ms.years.utc=ms.year.utc.range,ms.day=Vt(function(t){var e=new gs(2e3,0);return e.setFullYear(t.getFullYear(),t.getMonth(),t.getDate()),e},function(t,e){t.setDate(t.getDate()+e)},function(t){return t.getDate()-1}),ms.days=ms.day.range,ms.days.utc=ms.day.utc.range,ms.dayOfYear=function(t){var e=ms.year(t);return Math.floor((t-e-6e4*(t.getTimezoneOffset()-e.getTimezoneOffset()))/864e5)},[\"sunday\",\"monday\",\"tuesday\",\"wednesday\",\"thursday\",\"friday\",\"saturday\"].forEach(function(t,e){e=7-e;var r=ms[t]=Vt(function(t){return(t=ms.day(t)).setDate(t.getDate()-(t.getDay()+e)%7),t},function(t,e){t.setDate(t.getDate()+7*Math.floor(e))},function(t){var r=ms.year(t).getDay();return Math.floor((ms.dayOfYear(t)+(r+e)%7)/7)-(r!==e)});ms[t+\"s\"]=r.range,ms[t+\"s\"].utc=r.utc.range,ms[t+\"OfYear\"]=function(t){var r=ms.year(t).getDay();return Math.floor((ms.dayOfYear(t)+(r+e)%7)/7)}}),ms.week=ms.sunday,ms.weeks=ms.sunday.range,ms.weeks.utc=ms.sunday.utc.range,ms.weekOfYear=ms.sundayOfYear;var bs={\"-\":\"\",_:\" \",0:\"0\"},xs=/^\\s*\\d+/,_s=/^%/;ca.locale=function(t){return{numberFormat:Nt(t),timeFormat:Gt(t)}};var ws=ca.locale({decimal:\".\",thousands:\",\",grouping:[3],currency:[\"$\",\"\"],dateTime:\"%a %b %e %X %Y\",date:\"%m/%d/%Y\",time:\"%H:%M:%S\",periods:[\"AM\",\"PM\"],days:[\"Sunday\",\"Monday\",\"Tuesday\",\"Wednesday\",\"Thursday\",\"Friday\",\"Saturday\"],shortDays:[\"Sun\",\"Mon\",\"Tue\",\"Wed\",\"Thu\",\"Fri\",\"Sat\"],months:[\"January\",\"February\",\"March\",\"April\",\"May\",\"June\",\"July\",\"August\",\"September\",\"October\",\"November\",\"December\"],shortMonths:[\"Jan\",\"Feb\",\"Mar\",\"Apr\",\"May\",\"Jun\",\"Jul\",\"Aug\",\"Sep\",\"Oct\",\"Nov\",\"Dec\"]});ca.format=ws.numberFormat,ca.geo={},he.prototype={s:0,t:0,add:function(t){fe(t,this.t,Ms),fe(Ms.s,this.s,this),this.s?this.t+=Ms.t:this.s=Ms.t},reset:function(){this.s=this.t=0},valueOf:function(){return this.s}};var Ms=new he;ca.geo.stream=function(t,e){t&&ks.hasOwnProperty(t.type)?ks[t.type](t,e):de(t,e)};var ks={Feature:function(t,e){de(t.geometry,e)},FeatureCollection:function(t,e){for(var r=t.features,n=-1,i=r.length;++n<i;)de(r[n].geometry,e)}},As={Sphere:function(t,e){e.sphere()},Point:function(t,e){t=t.coordinates,e.point(t[0],t[1],t[2])},MultiPoint:function(t,e){for(var r=t.coordinates,n=-1,i=r.length;++n<i;)t=r[n],e.point(t[0],t[1],t[2])},LineString:function(t,e){pe(t.coordinates,e,0)},MultiLineString:function(t,e){for(var r=t.coordinates,n=-1,i=r.length;++n<i;)pe(r[n],e,0)},Polygon:function(t,e){ve(t.coordinates,e)},MultiPolygon:function(t,e){for(var r=t.coordinates,n=-1,i=r.length;++n<i;)ve(r[n],e)},GeometryCollection:function(t,e){for(var r=t.geometries,n=-1,i=r.length;++n<i;)de(r[n],e)}};ca.geo.area=function(t){return Ts=0,ca.geo.stream(t,Ss),Ts};var Ts,Es=new he,Ss={sphere:function(){Ts+=4*Ua},point:M,lineStart:M,lineEnd:M,polygonStart:function(){Es.reset(),Ss.lineStart=me},polygonEnd:function(){var t=2*Es;Ts+=0>t?4*Ua+t:t,Ss.lineStart=Ss.lineEnd=Ss.point=M}};ca.geo.bounds=function(){function t(t,e){b.push(x=[c=t,f=t]),h>e&&(h=e),e>d&&(d=e)}function e(e,r){var n=ge([e*Ha,r*Ha]);if(g){var i=be(g,n),o=[i[1],-i[0],0],a=be(o,i);we(a),a=Me(a);var l=e-p,u=l>0?1:-1,v=a[0]*Xa*u,m=wa(l)>180;if(m^(v>u*p&&u*e>v)){var y=a[1]*Xa;y>d&&(d=y)}else if(v=(v+360)%360-180,m^(v>u*p&&u*e>v)){var y=-a[1]*Xa;h>y&&(h=y)}else h>r&&(h=r),r>d&&(d=r);m?p>e?s(c,e)>s(c,f)&&(f=e):s(e,f)>s(c,f)&&(c=e):f>=c?(c>e&&(c=e),e>f&&(f=e)):e>p?s(c,e)>s(c,f)&&(f=e):s(e,f)>s(c,f)&&(c=e)}else t(e,r);g=n,p=e}function r(){_.point=e}function n(){x[0]=c,x[1]=f,_.point=t,g=null}function i(t,r){if(g){var n=t-p;y+=wa(n)>180?n+(n>0?360:-360):n}else v=t,m=r;Ss.point(t,r),e(t,r)}function o(){Ss.lineStart()}function a(){i(v,m),Ss.lineEnd(),wa(y)>Na&&(c=-(f=180)),x[0]=c,x[1]=f,g=null}function s(t,e){return(e-=t)<0?e+360:e}function l(t,e){return t[0]-e[0]}function u(t,e){return e[0]<=e[1]?e[0]<=t&&t<=e[1]:t<e[0]||e[1]<t}var c,h,f,d,p,v,m,g,y,b,x,_={point:t,lineStart:r,lineEnd:n,polygonStart:function(){_.point=i,_.lineStart=o,_.lineEnd=a,y=0,Ss.polygonStart()},polygonEnd:function(){Ss.polygonEnd(),_.point=t,_.lineStart=r,_.lineEnd=n,0>Es?(c=-(f=180),h=-(d=90)):y>Na?d=90:-Na>y&&(h=-90),x[0]=c,x[1]=f}};return function(t){d=f=-(c=h=1/0),b=[],ca.geo.stream(t,_);var e=b.length;if(e){b.sort(l);for(var r,n=1,i=b[0],o=[i];e>n;++n)r=b[n],u(r[0],i)||u(r[1],i)?(s(i[0],r[1])>s(i[0],i[1])&&(i[1]=r[1]),s(r[0],i[1])>s(i[0],i[1])&&(i[0]=r[0])):o.push(i=r);for(var a,r,p=-(1/0),e=o.length-1,n=0,i=o[e];e>=n;i=r,++n)r=o[n],(a=s(i[1],r[0]))>p&&(p=a,c=r[0],f=i[1])}return b=x=null,c===1/0||h===1/0?[[NaN,NaN],[NaN,NaN]]:[[c,h],[f,d]]}}(),ca.geo.centroid=function(t){Ls=zs=Is=Ps=Cs=Rs=Ds=Os=Fs=js=Ns=0,ca.geo.stream(t,Bs);var e=Fs,r=js,n=Ns,i=e*e+r*r+n*n;return Ba>i&&(e=Rs,r=Ds,n=Os,Na>zs&&(e=Is,r=Ps,n=Cs),i=e*e+r*r+n*n,Ba>i)?[NaN,NaN]:[Math.atan2(r,e)*Xa,nt(n/Math.sqrt(i))*Xa]};var Ls,zs,Is,Ps,Cs,Rs,Ds,Os,Fs,js,Ns,Bs={sphere:M,point:Ae,lineStart:Ee,lineEnd:Se,polygonStart:function(){Bs.lineStart=Le},polygonEnd:function(){Bs.lineStart=Ee}},Us=De(Ie,Ne,Ue,[-Ua,-Ua/2]),Vs=1e9;ca.geo.clipExtent=function(){var t,e,r,n,i,o,a={stream:function(t){return i&&(i.valid=!1),i=o(t),i.valid=!0,i},extent:function(s){return arguments.length?(o=He(t=+s[0][0],e=+s[0][1],r=+s[1][0],n=+s[1][1]),i&&(i.valid=!1,i=null),a):[[t,e],[r,n]]}};return a.extent([[0,0],[960,500]])},(ca.geo.conicEqualArea=function(){return Xe(Ye)}).raw=Ye,ca.geo.albers=function(){return ca.geo.conicEqualArea().rotate([96,0]).center([-.6,38.7]).parallels([29.5,45.5]).scale(1070)},ca.geo.albersUsa=function(){function t(t){var o=t[0],a=t[1];return e=null,r(o,a),e||(n(o,a),e)||i(o,a),e}var e,r,n,i,o=ca.geo.albers(),a=ca.geo.conicEqualArea().rotate([154,0]).center([-2,58.5]).parallels([55,65]),s=ca.geo.conicEqualArea().rotate([157,0]).center([-3,19.9]).parallels([8,18]),l={point:function(t,r){e=[t,r]}};return t.invert=function(t){var e=o.scale(),r=o.translate(),n=(t[0]-r[0])/e,i=(t[1]-r[1])/e;return(i>=.12&&.234>i&&n>=-.425&&-.214>n?a:i>=.166&&.234>i&&n>=-.214&&-.115>n?s:o).invert(t)},t.stream=function(t){var e=o.stream(t),r=a.stream(t),n=s.stream(t);return{point:function(t,i){e.point(t,i),r.point(t,i),n.point(t,i)},sphere:function(){e.sphere(),r.sphere(),n.sphere()},lineStart:function(){e.lineStart(),r.lineStart(),n.lineStart()},lineEnd:function(){e.lineEnd(),r.lineEnd(),n.lineEnd()},polygonStart:function(){e.polygonStart(),r.polygonStart(),n.polygonStart()},polygonEnd:function(){e.polygonEnd(),r.polygonEnd(),n.polygonEnd()}}},t.precision=function(e){return arguments.length?(o.precision(e),a.precision(e),s.precision(e),t):o.precision()},t.scale=function(e){return arguments.length?(o.scale(e),a.scale(.35*e),s.scale(e),t.translate(o.translate())):o.scale()},t.translate=function(e){if(!arguments.length)return o.translate();var u=o.scale(),c=+e[0],h=+e[1];return r=o.translate(e).clipExtent([[c-.455*u,h-.238*u],[c+.455*u,h+.238*u]]).stream(l).point,n=a.translate([c-.307*u,h+.201*u]).clipExtent([[c-.425*u+Na,h+.12*u+Na],[c-.214*u-Na,h+.234*u-Na]]).stream(l).point,i=s.translate([c-.205*u,h+.212*u]).clipExtent([[c-.214*u+Na,h+.166*u+Na],[c-.115*u-Na,h+.234*u-Na]]).stream(l).point,t},t.scale(1070)};var qs,Gs,Hs,Xs,Ys,Ws,Zs={point:M,lineStart:M,lineEnd:M,polygonStart:function(){Gs=0,Zs.lineStart=We},polygonEnd:function(){Zs.lineStart=Zs.lineEnd=Zs.point=M,qs+=wa(Gs/2)}},Ks={point:Ze,lineStart:M,lineEnd:M,polygonStart:M,polygonEnd:M},Js={point:$e,lineStart:Qe,lineEnd:tr,polygonStart:function(){Js.lineStart=er},polygonEnd:function(){Js.point=$e,Js.lineStart=Qe,Js.lineEnd=tr}};ca.geo.path=function(){function t(t){return t&&(\"function\"==typeof s&&o.pointRadius(+s.apply(this,arguments)),a&&a.valid||(a=i(o)),ca.geo.stream(t,a)),o.result()}function e(){return a=null,t}var r,n,i,o,a,s=4.5;return t.area=function(t){return qs=0,ca.geo.stream(t,i(Zs)),qs},t.centroid=function(t){return Is=Ps=Cs=Rs=Ds=Os=Fs=js=Ns=0,ca.geo.stream(t,i(Js)),Ns?[Fs/Ns,js/Ns]:Os?[Rs/Os,Ds/Os]:Cs?[Is/Cs,Ps/Cs]:[NaN,NaN]},t.bounds=function(t){return Ys=Ws=-(Hs=Xs=1/0),ca.geo.stream(t,i(Ks)),[[Hs,Xs],[Ys,Ws]]},t.projection=function(t){return arguments.length?(i=(r=t)?t.stream||ir(t):x,e()):r},t.context=function(t){return arguments.length?(o=null==(n=t)?new Ke:new rr(t),\"function\"!=typeof s&&o.pointRadius(s),e()):n},t.pointRadius=function(e){return arguments.length?(s=\"function\"==typeof e?e:(o.pointRadius(+e),+e),t):s},t.projection(ca.geo.albersUsa()).context(null)},ca.geo.transform=function(t){return{stream:function(e){var r=new or(e);for(var n in t)r[n]=t[n];return r}}},or.prototype={point:function(t,e){this.stream.point(t,e)},sphere:function(){this.stream.sphere()},lineStart:function(){this.stream.lineStart()},lineEnd:function(){this.stream.lineEnd()},polygonStart:function(){this.stream.polygonStart()},polygonEnd:function(){this.stream.polygonEnd()}},ca.geo.projection=sr,ca.geo.projectionMutator=lr,(ca.geo.equirectangular=function(){return sr(cr)}).raw=cr.invert=cr,ca.geo.rotation=function(t){function e(e){return e=t(e[0]*Ha,e[1]*Ha),e[0]*=Xa,e[1]*=Xa,e}return t=fr(t[0]%360*Ha,t[1]*Ha,t.length>2?t[2]*Ha:0),e.invert=function(e){return e=t.invert(e[0]*Ha,e[1]*Ha),e[0]*=Xa,e[1]*=Xa,e},e},hr.invert=cr,ca.geo.circle=function(){function t(){var t=\"function\"==typeof n?n.apply(this,arguments):n,e=fr(-t[0]*Ha,-t[1]*Ha,0).invert,i=[];return r(null,null,1,{point:function(t,r){i.push(t=e(t,r)),t[0]*=Xa,t[1]*=Xa}}),{type:\"Polygon\",coordinates:[i]}}var e,r,n=[0,0],i=6;return t.origin=function(e){return arguments.length?(n=e,t):n},t.angle=function(n){return arguments.length?(r=mr((e=+n)*Ha,i*Ha),t):e},t.precision=function(n){return arguments.length?(r=mr(e*Ha,(i=+n)*Ha),t):i},t.angle(90)},ca.geo.distance=function(t,e){var r,n=(e[0]-t[0])*Ha,i=t[1]*Ha,o=e[1]*Ha,a=Math.sin(n),s=Math.cos(n),l=Math.sin(i),u=Math.cos(i),c=Math.sin(o),h=Math.cos(o);return Math.atan2(Math.sqrt((r=h*a)*r+(r=u*c-l*h*s)*r),l*c+u*h*s)},ca.geo.graticule=function(){function t(){return{type:\"MultiLineString\",coordinates:e()}}function e(){return ca.range(Math.ceil(o/m)*m,i,m).map(f).concat(ca.range(Math.ceil(u/g)*g,l,g).map(d)).concat(ca.range(Math.ceil(n/p)*p,r,p).filter(function(t){return wa(t%m)>Na}).map(c)).concat(ca.range(Math.ceil(s/v)*v,a,v).filter(function(t){return wa(t%g)>Na}).map(h))}var r,n,i,o,a,s,l,u,c,h,f,d,p=10,v=p,m=90,g=360,y=2.5;return t.lines=function(){return e().map(function(t){return{type:\"LineString\",coordinates:t}})},t.outline=function(){return{type:\"Polygon\",coordinates:[f(o).concat(d(l).slice(1),f(i).reverse().slice(1),d(u).reverse().slice(1))]}},t.extent=function(e){return arguments.length?t.majorExtent(e).minorExtent(e):t.minorExtent()},t.majorExtent=function(e){return arguments.length?(o=+e[0][0],i=+e[1][0],u=+e[0][1],l=+e[1][1],o>i&&(e=o,o=i,i=e),u>l&&(e=u,u=l,l=e),t.precision(y)):[[o,u],[i,l]]},t.minorExtent=function(e){return arguments.length?(n=+e[0][0],r=+e[1][0],s=+e[0][1],a=+e[1][1],n>r&&(e=n,n=r,r=e),s>a&&(e=s,s=a,a=e),t.precision(y)):[[n,s],[r,a]]},t.step=function(e){return arguments.length?t.majorStep(e).minorStep(e):t.minorStep()},t.majorStep=function(e){return arguments.length?(m=+e[0],g=+e[1],t):[m,g]},t.minorStep=function(e){return arguments.length?(p=+e[0],v=+e[1],t):[p,v]},t.precision=function(e){return arguments.length?(y=+e,c=yr(s,a,90),h=br(n,r,y),f=yr(u,l,90),d=br(o,i,y),t):y},t.majorExtent([[-180,-90+Na],[180,90-Na]]).minorExtent([[-180,-80-Na],[180,80+Na]])},ca.geo.greatArc=function(){function t(){return{type:\"LineString\",coordinates:[e||n.apply(this,arguments),r||i.apply(this,arguments)]}}var e,r,n=xr,i=_r;return t.distance=function(){return ca.geo.distance(e||n.apply(this,arguments),r||i.apply(this,arguments))},t.source=function(r){return arguments.length?(n=r,e=\"function\"==typeof r?null:r,t):n},t.target=function(e){return arguments.length?(i=e,r=\"function\"==typeof e?null:e,t):i},t.precision=function(){return arguments.length?t:0},t},ca.geo.interpolate=function(t,e){return wr(t[0]*Ha,t[1]*Ha,e[0]*Ha,e[1]*Ha)},ca.geo.length=function(t){return $s=0,ca.geo.stream(t,Qs),$s};var $s,Qs={sphere:M,point:M,lineStart:Mr,lineEnd:M,polygonStart:M,polygonEnd:M},tl=kr(function(t){return Math.sqrt(2/(1+t))},function(t){return 2*Math.asin(t/2)});(ca.geo.azimuthalEqualArea=function(){return sr(tl)}).raw=tl;var el=kr(function(t){var e=Math.acos(t);return e&&e/Math.sin(e)},x);(ca.geo.azimuthalEquidistant=function(){return sr(el)}).raw=el,(ca.geo.conicConformal=function(){return Xe(Ar)}).raw=Ar,(ca.geo.conicEquidistant=function(){return Xe(Tr)}).raw=Tr;var rl=kr(function(t){return 1/t},Math.atan);(ca.geo.gnomonic=function(){return sr(rl)}).raw=rl,Er.invert=function(t,e){return[t,2*Math.atan(Math.exp(e))-Ga]},(ca.geo.mercator=function(){return Sr(Er)}).raw=Er;var nl=kr(function(){return 1},Math.asin);(ca.geo.orthographic=function(){return sr(nl)}).raw=nl;var il=kr(function(t){return 1/(1+t)},function(t){return 2*Math.atan(t)});(ca.geo.stereographic=function(){return sr(il)}).raw=il,Lr.invert=function(t,e){return[-e,2*Math.atan(Math.exp(t))-Ga]},(ca.geo.transverseMercator=function(){var t=Sr(Lr),e=t.center,r=t.rotate;return t.center=function(t){return t?e([-t[1],t[0]]):(t=e(),[t[1],-t[0]])},t.rotate=function(t){return t?r([t[0],t[1],t.length>2?t[2]+90:90]):(t=r(),[t[0],t[1],t[2]-90])},r([0,0,90])}).raw=Lr,ca.geom={},ca.geom.hull=function(t){function e(t){if(t.length<3)return[];var e,i=St(r),o=St(n),a=t.length,s=[],l=[];for(e=0;a>e;e++)s.push([+i.call(this,t[e],e),+o.call(this,t[e],e),e]);for(s.sort(Cr),e=0;a>e;e++)l.push([s[e][0],-s[e][1]]);var u=Pr(s),c=Pr(l),h=c[0]===u[0],f=c[c.length-1]===u[u.length-1],d=[];for(e=u.length-1;e>=0;--e)d.push(t[s[u[e]][2]]);for(e=+h;e<c.length-f;++e)d.push(t[s[c[e]][2]]);return d}var r=zr,n=Ir;return arguments.length?e(t):(e.x=function(t){return arguments.length?(r=t,e):r},e.y=function(t){return arguments.length?(n=t,e):n},e)},ca.geom.polygon=function(t){return Ea(t,ol),t};var ol=ca.geom.polygon.prototype=[];ol.area=function(){for(var t,e=-1,r=this.length,n=this[r-1],i=0;++e<r;)t=n,n=this[e],i+=t[1]*n[0]-t[0]*n[1];return.5*i},ol.centroid=function(t){var e,r,n=-1,i=this.length,o=0,a=0,s=this[i-1];for(arguments.length||(t=-1/(6*this.area()));++n<i;)e=s,s=this[n],r=e[0]*s[1]-s[0]*e[1],o+=(e[0]+s[0])*r,a+=(e[1]+s[1])*r;return[o*t,a*t]},ol.clip=function(t){for(var e,r,n,i,o,a,s=Or(t),l=-1,u=this.length-Or(this),c=this[u-1];++l<u;){for(e=t.slice(),t.length=0,i=this[l],o=e[(n=e.length-s)-1],r=-1;++r<n;)a=e[r],Rr(a,c,i)?(Rr(o,c,i)||t.push(Dr(o,a,c,i)),t.push(a)):Rr(o,c,i)&&t.push(Dr(o,a,c,i)),o=a;s&&t.push(t[0]),c=i}return t};var al,sl,ll,ul,cl,hl=[],fl=[];Gr.prototype.prepare=function(){for(var t,e=this.edges,r=e.length;r--;)t=e[r].edge,t.b&&t.a||e.splice(r,1);return e.sort(Xr),e.length},rn.prototype={start:function(){return this.edge.l===this.site?this.edge.a:this.edge.b},end:function(){return this.edge.l===this.site?this.edge.b:this.edge.a}},nn.prototype={insert:function(t,e){var r,n,i;if(t){if(e.P=t,e.N=t.N,t.N&&(t.N.P=e),t.N=e,t.R){for(t=t.R;t.L;)t=t.L;t.L=e}else t.R=e;r=t}else this._?(t=ln(this._),e.P=null,e.N=t,t.P=t.L=e,r=t):(e.P=e.N=null,this._=e,r=null);for(e.L=e.R=null,e.U=r,e.C=!0,t=e;r&&r.C;)n=r.U,r===n.L?(i=n.R,i&&i.C?(r.C=i.C=!1,n.C=!0,t=n):(t===r.R&&(an(this,r),t=r,r=t.U),r.C=!1,n.C=!0,sn(this,n))):(i=n.L,i&&i.C?(r.C=i.C=!1,n.C=!0,t=n):(t===r.L&&(sn(this,r),t=r,r=t.U),r.C=!1,n.C=!0,an(this,n))),r=t.U;this._.C=!1},remove:function(t){t.N&&(t.N.P=t.P),t.P&&(t.P.N=t.N),t.N=t.P=null;var e,r,n,i=t.U,o=t.L,a=t.R;if(r=o?a?ln(a):o:a,i?i.L===t?i.L=r:i.R=r:this._=r,o&&a?(n=r.C,r.C=t.C,r.L=o,o.U=r,r!==a?(i=r.U,r.U=t.U,t=r.R,i.L=t,r.R=a,a.U=r):(r.U=i,i=r,t=r.R)):(n=t.C,t=r),t&&(t.U=i),!n){if(t&&t.C)return void(t.C=!1);do{if(t===this._)break;if(t===i.L){if(e=i.R,e.C&&(e.C=!1,i.C=!0,an(this,i),e=i.R),e.L&&e.L.C||e.R&&e.R.C){e.R&&e.R.C||(e.L.C=!1,e.C=!0,sn(this,e),e=i.R),e.C=i.C,i.C=e.R.C=!1,an(this,i),t=this._;break}}else if(e=i.L,e.C&&(e.C=!1,i.C=!0,sn(this,i),e=i.L),e.L&&e.L.C||e.R&&e.R.C){e.L&&e.L.C||(e.R.C=!1,e.C=!0,an(this,e),e=i.L),e.C=i.C,i.C=e.L.C=!1,sn(this,i),t=this._;break}e.C=!0,t=i,i=i.U}while(!t.C);t&&(t.C=!1)}}},ca.geom.voronoi=function(t){function e(t){var e=new Array(t.length),n=s[0][0],i=s[0][1],o=s[1][0],a=s[1][1];return un(r(t),s).cells.forEach(function(r,s){var l=r.edges,u=r.site,c=e[s]=l.length?l.map(function(t){var e=t.start();return[e.x,e.y]}):u.x>=n&&u.x<=o&&u.y>=i&&u.y<=a?[[n,a],[o,a],[o,i],[n,i]]:[];c.point=t[s]}),e}function r(t){return t.map(function(t,e){return{x:Math.round(o(t,e)/Na)*Na,y:Math.round(a(t,e)/Na)*Na,i:e}})}var n=zr,i=Ir,o=n,a=i,s=dl;return t?e(t):(e.links=function(t){return un(r(t)).edges.filter(function(t){return t.l&&t.r}).map(function(e){return{source:t[e.l.i],target:t[e.r.i]}})},e.triangles=function(t){var e=[];return un(r(t)).cells.forEach(function(r,n){for(var i,o,a=r.site,s=r.edges.sort(Xr),l=-1,u=s.length,c=s[u-1].edge,h=c.l===a?c.r:c.l;++l<u;)i=c,o=h,c=s[l].edge,h=c.l===a?c.r:c.l,n<o.i&&n<h.i&&hn(a,o,h)<0&&e.push([t[n],t[o.i],t[h.i]])}),e},e.x=function(t){return arguments.length?(o=St(n=t),e):n},e.y=function(t){return arguments.length?(a=St(i=t),e):i},e.clipExtent=function(t){return arguments.length?(s=null==t?dl:t,e):s===dl?null:s},e.size=function(t){return arguments.length?e.clipExtent(t&&[[0,0],t]):s===dl?null:s&&s[1]},e)};var dl=[[-1e6,-1e6],[1e6,1e6]];ca.geom.delaunay=function(t){return ca.geom.voronoi().triangles(t)},ca.geom.quadtree=function(t,e,r,n,i){function o(t){function o(t,e,r,n,i,o,a,s){if(!isNaN(r)&&!isNaN(n))if(t.leaf){var l=t.x,c=t.y;if(null!=l)if(wa(l-r)+wa(c-n)<.01)u(t,e,r,n,i,o,a,s);else{var h=t.point;t.x=t.y=t.point=null,u(t,h,l,c,i,o,a,s),u(t,e,r,n,i,o,a,s)}else t.x=r,t.y=n,t.point=e}else u(t,e,r,n,i,o,a,s)}function u(t,e,r,n,i,a,s,l){var u=.5*(i+s),c=.5*(a+l),h=r>=u,f=n>=c,d=f<<1|h;t.leaf=!1,t=t.nodes[d]||(t.nodes[d]=pn()),h?i=u:s=u,f?a=c:l=c,o(t,e,r,n,i,a,s,l)}var c,h,f,d,p,v,m,g,y,b=St(s),x=St(l);if(null!=e)v=e,m=r,g=n,y=i;else if(g=y=-(v=m=1/0),h=[],f=[],p=t.length,a)for(d=0;p>d;++d)c=t[d],c.x<v&&(v=c.x),c.y<m&&(m=c.y),c.x>g&&(g=c.x),c.y>y&&(y=c.y),h.push(c.x),f.push(c.y);else for(d=0;p>d;++d){var _=+b(c=t[d],d),w=+x(c,d);v>_&&(v=_),m>w&&(m=w),_>g&&(g=_),w>y&&(y=w),h.push(_),f.push(w)}var M=g-v,k=y-m;M>k?y=m+M:g=v+k;var A=pn();if(A.add=function(t){o(A,t,+b(t,++d),+x(t,d),v,m,g,y)},A.visit=function(t){vn(t,A,v,m,g,y)},A.find=function(t){return mn(A,t[0],t[1],v,m,g,y)},d=-1,null==e){for(;++d<p;)o(A,t[d],h[d],f[d],v,m,g,y);--d}else t.forEach(A.add);return h=f=t=c=null,A}var a,s=zr,l=Ir;return(a=arguments.length)?(s=fn,l=dn,3===a&&(i=r,n=e,r=e=0),o(t)):(o.x=function(t){return arguments.length?(s=t,o):s},o.y=function(t){return arguments.length?(l=t,o):l},o.extent=function(t){return arguments.length?(null==t?e=r=n=i=null:(e=+t[0][0],r=+t[0][1],n=+t[1][0],i=+t[1][1]),o):null==e?null:[[e,r],[n,i]]},o.size=function(t){return arguments.length?(null==t?e=r=n=i=null:(e=r=0,n=+t[0],i=+t[1]),o):null==e?null:[n-e,i-r]},o)},ca.interpolateRgb=gn,ca.interpolateObject=yn,ca.interpolateNumber=bn,ca.interpolateString=xn;var pl=/[-+]?(?:\\d+\\.?\\d*|\\.?\\d+)(?:[eE][-+]?\\d+)?/g,vl=new RegExp(pl.source,\"g\");ca.interpolate=_n,ca.interpolators=[function(t,e){var r=typeof e;return(\"string\"===r?ss.has(e.toLowerCase())||/^(#|rgb\\(|hsl\\()/i.test(e)?gn:xn:e instanceof lt?gn:Array.isArray(e)?wn:\"object\"===r&&isNaN(e)?yn:bn)(t,e)}],ca.interpolateArray=wn;var ml=function(){return x},gl=ca.map({linear:ml,poly:Ln,quad:function(){return Tn},cubic:function(){return En},sin:function(){return zn},exp:function(){return In},circle:function(){return Pn},elastic:Cn,back:Rn,bounce:function(){return Dn}}),yl=ca.map({\"in\":x,out:kn,\"in-out\":An,\"out-in\":function(t){return An(kn(t))}});ca.ease=function(t){var e=t.indexOf(\"-\"),r=e>=0?t.slice(0,e):t,n=e>=0?t.slice(e+1):\"in\";return r=gl.get(r)||ml,n=yl.get(n)||x,Mn(n(r.apply(null,ha.call(arguments,1))))},ca.interpolateHcl=On,ca.interpolateHsl=Fn,ca.interpolateLab=jn,ca.interpolateRound=Nn,ca.transform=function(t){var e=da.createElementNS(ca.ns.prefix.svg,\"g\");return(ca.transform=function(t){if(null!=t){e.setAttribute(\"transform\",t);var r=e.transform.baseVal.consolidate()}return new Bn(r?r.matrix:bl)})(t)},Bn.prototype.toString=function(){return\"translate(\"+this.translate+\")rotate(\"+this.rotate+\")skewX(\"+this.skew+\")scale(\"+this.scale+\")\"};var bl={a:1,b:0,c:0,d:1,e:0,f:0};ca.interpolateTransform=Zn,ca.layout={},ca.layout.bundle=function(){return function(t){for(var e=[],r=-1,n=t.length;++r<n;)e.push($n(t[r]));return e}},ca.layout.chord=function(){function t(){var t,u,h,f,d,p={},v=[],m=ca.range(o),g=[];for(r=[],n=[],t=0,f=-1;++f<o;){for(u=0,d=-1;++d<o;)u+=i[f][d];v.push(u),g.push(ca.range(o)),t+=u}for(a&&m.sort(function(t,e){return a(v[t],v[e])}),s&&g.forEach(function(t,e){t.sort(function(t,r){return s(i[e][t],i[e][r])})}),t=(Va-c*o)/t,u=0,f=-1;++f<o;){for(h=u,d=-1;++d<o;){var y=m[f],b=g[y][d],x=i[y][b],_=u,w=u+=x*t;p[y+\"-\"+b]={index:y,subindex:b,startAngle:_,endAngle:w,value:x}}n[y]={index:y,startAngle:h,endAngle:u,value:v[y]},u+=c}for(f=-1;++f<o;)for(d=f-1;++d<o;){var M=p[f+\"-\"+d],k=p[d+\"-\"+f];(M.value||k.value)&&r.push(M.value<k.value?{source:k,target:M}:{source:M,target:k})}l&&e()}function e(){r.sort(function(t,e){return l((t.source.value+t.target.value)/2,(e.source.value+e.target.value)/2)})}var r,n,i,o,a,s,l,u={},c=0;return u.matrix=function(t){return arguments.length?(o=(i=t)&&i.length,r=n=null,u):i},u.padding=function(t){return arguments.length?(c=t,r=n=null,u):c},u.sortGroups=function(t){return arguments.length?(a=t,r=n=null,u):a},u.sortSubgroups=function(t){return arguments.length?(s=t,r=null,u):s},u.sortChords=function(t){return arguments.length?(l=t,r&&e(),u):l},u.chords=function(){return r||t(),r},u.groups=function(){return n||t(),n},u},ca.layout.force=function(){function t(t){return function(e,r,n,i){if(e.point!==t){var o=e.cx-t.x,a=e.cy-t.y,s=i-r,l=o*o+a*a;if(l>s*s/g){if(v>l){var u=e.charge/l;t.px-=o*u,t.py-=a*u}return!0}if(e.point&&l&&v>l){var u=e.pointCharge/l;t.px-=o*u,t.py-=a*u}}return!e.charge}}function e(t){t.px=ca.event.x,t.py=ca.event.y,l.resume()}var r,n,i,o,a,s,l={},u=ca.dispatch(\"start\",\"tick\",\"end\"),c=[1,1],h=.9,f=xl,d=_l,p=-30,v=wl,m=.1,g=.64,y=[],b=[];return l.tick=function(){if((i*=.99)<.005)return r=null,u.end({type:\"end\",alpha:i=0}),!0;var e,n,l,f,d,v,g,x,_,w=y.length,M=b.length;for(n=0;M>n;++n)l=b[n],f=l.source,d=l.target,x=d.x-f.x,_=d.y-f.y,(v=x*x+_*_)&&(v=i*a[n]*((v=Math.sqrt(v))-o[n])/v,x*=v,_*=v,d.x-=x*(g=f.weight+d.weight?f.weight/(f.weight+d.weight):.5),d.y-=_*g,f.x+=x*(g=1-g),f.y+=_*g);if((g=i*m)&&(x=c[0]/2,_=c[1]/2,n=-1,g))for(;++n<w;)l=y[n],l.x+=(x-l.x)*g,l.y+=(_-l.y)*g;if(p)for(oi(e=ca.geom.quadtree(y),i,s),n=-1;++n<w;)(l=y[n]).fixed||e.visit(t(l));for(n=-1;++n<w;)l=y[n],l.fixed?(l.x=l.px,l.y=l.py):(l.x-=(l.px-(l.px=l.x))*h,l.y-=(l.py-(l.py=l.y))*h);u.tick({type:\"tick\",alpha:i})},l.nodes=function(t){return arguments.length?(y=t,l):y},l.links=function(t){return arguments.length?(b=t,l):b},l.size=function(t){return arguments.length?(c=t,l):c},l.linkDistance=function(t){return arguments.length?(f=\"function\"==typeof t?t:+t,l):f},l.distance=l.linkDistance,l.linkStrength=function(t){return arguments.length?(d=\"function\"==typeof t?t:+t,l):d},l.friction=function(t){return arguments.length?(h=+t,l):h},l.charge=function(t){return arguments.length?(p=\"function\"==typeof t?t:+t,l):p},l.chargeDistance=function(t){return arguments.length?(v=t*t,l):Math.sqrt(v)},l.gravity=function(t){return arguments.length?(m=+t,l):m},l.theta=function(t){return arguments.length?(g=t*t,l):Math.sqrt(g)},l.alpha=function(t){return arguments.length?(t=+t,i?t>0?i=t:(r.c=null,r.t=NaN,r=null,u.end({type:\"end\",alpha:i=0})):t>0&&(u.start({type:\"start\",alpha:i=t}),r=Ct(l.tick)),l):i},l.start=function(){function t(t,n){if(!r){for(r=new Array(i),l=0;i>l;++l)r[l]=[];for(l=0;u>l;++l){var o=b[l];r[o.source.index].push(o.target),r[o.target.index].push(o.source)}}for(var a,s=r[e],l=-1,c=s.length;++l<c;)if(!isNaN(a=s[l][t]))return a;return Math.random()*n}var e,r,n,i=y.length,u=b.length,h=c[0],v=c[1];for(e=0;i>e;++e)(n=y[e]).index=e,n.weight=0;for(e=0;u>e;++e)n=b[e],\"number\"==typeof n.source&&(n.source=y[n.source]),\"number\"==typeof n.target&&(n.target=y[n.target]),++n.source.weight,++n.target.weight;for(e=0;i>e;++e)n=y[e],isNaN(n.x)&&(n.x=t(\"x\",h)),isNaN(n.y)&&(n.y=t(\"y\",v)),isNaN(n.px)&&(n.px=n.x),isNaN(n.py)&&(n.py=n.y);if(o=[],\"function\"==typeof f)for(e=0;u>e;++e)o[e]=+f.call(this,b[e],e);else for(e=0;u>e;++e)o[e]=f;if(a=[],\"function\"==typeof d)for(e=0;u>e;++e)a[e]=+d.call(this,b[e],e);else for(e=0;u>e;++e)a[e]=d;if(s=[],\"function\"==typeof p)for(e=0;i>e;++e)s[e]=+p.call(this,y[e],e);else for(e=0;i>e;++e)s[e]=p;return l.resume()},l.resume=function(){return l.alpha(.1)},l.stop=function(){return l.alpha(0)},l.drag=function(){return n||(n=ca.behavior.drag().origin(x).on(\"dragstart.force\",ei).on(\"drag.force\",e).on(\"dragend.force\",ri)),arguments.length?void this.on(\"mouseover.force\",ni).on(\"mouseout.force\",ii).call(n):n},ca.rebind(l,u,\"on\")};var xl=20,_l=1,wl=1/0;ca.layout.hierarchy=function(){function t(i){var o,a=[i],s=[];for(i.depth=0;null!=(o=a.pop());)if(s.push(o),(u=r.call(t,o,o.depth))&&(l=u.length)){for(var l,u,c;--l>=0;)a.push(c=u[l]),c.parent=o,c.depth=o.depth+1;n&&(o.value=0),o.children=u}else n&&(o.value=+n.call(t,o,o.depth)||0),delete o.children;return li(i,function(t){var r,i;e&&(r=t.children)&&r.sort(e),n&&(i=t.parent)&&(i.value+=t.value)}),s}var e=hi,r=ui,n=ci;return t.sort=function(r){return arguments.length?(e=r,t):e},t.children=function(e){return arguments.length?(r=e,t):r},t.value=function(e){return arguments.length?(n=e,t):n},t.revalue=function(e){return n&&(si(e,function(t){t.children&&(t.value=0)}),li(e,function(e){var r;e.children||(e.value=+n.call(t,e,e.depth)||0),\n(r=e.parent)&&(r.value+=e.value)})),e},t},ca.layout.partition=function(){function t(e,r,n,i){var o=e.children;if(e.x=r,e.y=e.depth*i,e.dx=n,e.dy=i,o&&(a=o.length)){var a,s,l,u=-1;for(n=e.value?n/e.value:0;++u<a;)t(s=o[u],r,l=s.value*n,i),r+=l}}function e(t){var r=t.children,n=0;if(r&&(i=r.length))for(var i,o=-1;++o<i;)n=Math.max(n,e(r[o]));return 1+n}function r(r,o){var a=n.call(this,r,o);return t(a[0],0,i[0],i[1]/e(a[0])),a}var n=ca.layout.hierarchy(),i=[1,1];return r.size=function(t){return arguments.length?(i=t,r):i},ai(r,n)},ca.layout.pie=function(){function t(a){var s,l=a.length,u=a.map(function(r,n){return+e.call(t,r,n)}),c=+(\"function\"==typeof n?n.apply(this,arguments):n),h=(\"function\"==typeof i?i.apply(this,arguments):i)-c,f=Math.min(Math.abs(h)/l,+(\"function\"==typeof o?o.apply(this,arguments):o)),d=f*(0>h?-1:1),p=ca.sum(u),v=p?(h-l*d)/p:0,m=ca.range(l),g=[];return null!=r&&m.sort(r===Ml?function(t,e){return u[e]-u[t]}:function(t,e){return r(a[t],a[e])}),m.forEach(function(t){g[t]={data:a[t],value:s=u[t],startAngle:c,endAngle:c+=s*v+d,padAngle:f}}),g}var e=Number,r=Ml,n=0,i=Va,o=0;return t.value=function(r){return arguments.length?(e=r,t):e},t.sort=function(e){return arguments.length?(r=e,t):r},t.startAngle=function(e){return arguments.length?(n=e,t):n},t.endAngle=function(e){return arguments.length?(i=e,t):i},t.padAngle=function(e){return arguments.length?(o=e,t):o},t};var Ml={};ca.layout.stack=function(){function t(s,l){if(!(f=s.length))return s;var u=s.map(function(r,n){return e.call(t,r,n)}),c=u.map(function(e){return e.map(function(e,r){return[o.call(t,e,r),a.call(t,e,r)]})}),h=r.call(t,c,l);u=ca.permute(u,h),c=ca.permute(c,h);var f,d,p,v,m=n.call(t,c,l),g=u[0].length;for(p=0;g>p;++p)for(i.call(t,u[0][p],v=m[p],c[0][p][1]),d=1;f>d;++d)i.call(t,u[d][p],v+=c[d-1][p][1],c[d][p][1]);return s}var e=x,r=mi,n=gi,i=vi,o=di,a=pi;return t.values=function(r){return arguments.length?(e=r,t):e},t.order=function(e){return arguments.length?(r=\"function\"==typeof e?e:kl.get(e)||mi,t):r},t.offset=function(e){return arguments.length?(n=\"function\"==typeof e?e:Al.get(e)||gi,t):n},t.x=function(e){return arguments.length?(o=e,t):o},t.y=function(e){return arguments.length?(a=e,t):a},t.out=function(e){return arguments.length?(i=e,t):i},t};var kl=ca.map({\"inside-out\":function(t){var e,r,n=t.length,i=t.map(yi),o=t.map(bi),a=ca.range(n).sort(function(t,e){return i[t]-i[e]}),s=0,l=0,u=[],c=[];for(e=0;n>e;++e)r=a[e],l>s?(s+=o[r],u.push(r)):(l+=o[r],c.push(r));return c.reverse().concat(u)},reverse:function(t){return ca.range(t.length).reverse()},\"default\":mi}),Al=ca.map({silhouette:function(t){var e,r,n,i=t.length,o=t[0].length,a=[],s=0,l=[];for(r=0;o>r;++r){for(e=0,n=0;i>e;e++)n+=t[e][r][1];n>s&&(s=n),a.push(n)}for(r=0;o>r;++r)l[r]=(s-a[r])/2;return l},wiggle:function(t){var e,r,n,i,o,a,s,l,u,c=t.length,h=t[0],f=h.length,d=[];for(d[0]=l=u=0,r=1;f>r;++r){for(e=0,i=0;c>e;++e)i+=t[e][r][1];for(e=0,o=0,s=h[r][0]-h[r-1][0];c>e;++e){for(n=0,a=(t[e][r][1]-t[e][r-1][1])/(2*s);e>n;++n)a+=(t[n][r][1]-t[n][r-1][1])/s;o+=a*t[e][r][1]}d[r]=l-=i?o/i*s:0,u>l&&(u=l)}for(r=0;f>r;++r)d[r]-=u;return d},expand:function(t){var e,r,n,i=t.length,o=t[0].length,a=1/i,s=[];for(r=0;o>r;++r){for(e=0,n=0;i>e;e++)n+=t[e][r][1];if(n)for(e=0;i>e;e++)t[e][r][1]/=n;else for(e=0;i>e;e++)t[e][r][1]=a}for(r=0;o>r;++r)s[r]=0;return s},zero:gi});ca.layout.histogram=function(){function t(t,o){for(var a,s,l=[],u=t.map(r,this),c=n.call(this,u,o),h=i.call(this,c,u,o),o=-1,f=u.length,d=h.length-1,p=e?1:1/f;++o<d;)a=l[o]=[],a.dx=h[o+1]-(a.x=h[o]),a.y=0;if(d>0)for(o=-1;++o<f;)s=u[o],s>=c[0]&&s<=c[1]&&(a=l[ca.bisect(h,s,1,d)-1],a.y+=p,a.push(t[o]));return l}var e=!0,r=Number,n=Mi,i=_i;return t.value=function(e){return arguments.length?(r=e,t):r},t.range=function(e){return arguments.length?(n=St(e),t):n},t.bins=function(e){return arguments.length?(i=\"number\"==typeof e?function(t){return wi(t,e)}:St(e),t):i},t.frequency=function(r){return arguments.length?(e=!!r,t):e},t},ca.layout.pack=function(){function t(t,o){var a=r.call(this,t,o),s=a[0],l=i[0],u=i[1],c=null==e?Math.sqrt:\"function\"==typeof e?e:function(){return e};if(s.x=s.y=0,li(s,function(t){t.r=+c(t.value)}),li(s,Si),n){var h=n*(e?1:Math.max(2*s.r/l,2*s.r/u))/2;li(s,function(t){t.r+=h}),li(s,Si),li(s,function(t){t.r-=h})}return Ii(s,l/2,u/2,e?1:1/Math.max(2*s.r/l,2*s.r/u)),a}var e,r=ca.layout.hierarchy().sort(ki),n=0,i=[1,1];return t.size=function(e){return arguments.length?(i=e,t):i},t.radius=function(r){return arguments.length?(e=null==r||\"function\"==typeof r?r:+r,t):e},t.padding=function(e){return arguments.length?(n=+e,t):n},ai(t,r)},ca.layout.tree=function(){function t(t,i){var c=a.call(this,t,i),h=c[0],f=e(h);if(li(f,r),f.parent.m=-f.z,si(f,n),u)si(h,o);else{var d=h,p=h,v=h;si(h,function(t){t.x<d.x&&(d=t),t.x>p.x&&(p=t),t.depth>v.depth&&(v=t)});var m=s(d,p)/2-d.x,g=l[0]/(p.x+s(p,d)/2+m),y=l[1]/(v.depth||1);si(h,function(t){t.x=(t.x+m)*g,t.y=t.depth*y})}return c}function e(t){for(var e,r={A:null,children:[t]},n=[r];null!=(e=n.pop());)for(var i,o=e.children,a=0,s=o.length;s>a;++a)n.push((o[a]=i={_:o[a],parent:e,children:(i=o[a].children)&&i.slice()||[],A:null,a:null,z:0,m:0,c:0,s:0,t:null,i:a}).a=i);return r.children[0]}function r(t){var e=t.children,r=t.parent.children,n=t.i?r[t.i-1]:null;if(e.length){Fi(t);var o=(e[0].z+e[e.length-1].z)/2;n?(t.z=n.z+s(t._,n._),t.m=t.z-o):t.z=o}else n&&(t.z=n.z+s(t._,n._));t.parent.A=i(t,n,t.parent.A||r[0])}function n(t){t._.x=t.z+t.parent.m,t.m+=t.parent.m}function i(t,e,r){if(e){for(var n,i=t,o=t,a=e,l=i.parent.children[0],u=i.m,c=o.m,h=a.m,f=l.m;a=Di(a),i=Ri(i),a&&i;)l=Ri(l),o=Di(o),o.a=t,n=a.z+h-i.z-u+s(a._,i._),n>0&&(Oi(ji(a,t,r),t,n),u+=n,c+=n),h+=a.m,u+=i.m,f+=l.m,c+=o.m;a&&!Di(o)&&(o.t=a,o.m+=h-c),i&&!Ri(l)&&(l.t=i,l.m+=u-f,r=t)}return r}function o(t){t.x*=l[0],t.y=t.depth*l[1]}var a=ca.layout.hierarchy().sort(null).value(null),s=Ci,l=[1,1],u=null;return t.separation=function(e){return arguments.length?(s=e,t):s},t.size=function(e){return arguments.length?(u=null==(l=e)?o:null,t):u?null:l},t.nodeSize=function(e){return arguments.length?(u=null==(l=e)?null:o,t):u?l:null},ai(t,a)},ca.layout.cluster=function(){function t(t,o){var a,s=e.call(this,t,o),l=s[0],u=0;li(l,function(t){var e=t.children;e&&e.length?(t.x=Bi(e),t.y=Ni(e)):(t.x=a?u+=r(t,a):0,t.y=0,a=t)});var c=Ui(l),h=Vi(l),f=c.x-r(c,h)/2,d=h.x+r(h,c)/2;return li(l,i?function(t){t.x=(t.x-l.x)*n[0],t.y=(l.y-t.y)*n[1]}:function(t){t.x=(t.x-f)/(d-f)*n[0],t.y=(1-(l.y?t.y/l.y:1))*n[1]}),s}var e=ca.layout.hierarchy().sort(null).value(null),r=Ci,n=[1,1],i=!1;return t.separation=function(e){return arguments.length?(r=e,t):r},t.size=function(e){return arguments.length?(i=null==(n=e),t):i?null:n},t.nodeSize=function(e){return arguments.length?(i=null!=(n=e),t):i?n:null},ai(t,e)},ca.layout.treemap=function(){function t(t,e){for(var r,n,i=-1,o=t.length;++i<o;)n=(r=t[i]).value*(0>e?0:e),r.area=isNaN(n)||0>=n?0:n}function e(r){var o=r.children;if(o&&o.length){var a,s,l,u=h(r),c=[],f=o.slice(),p=1/0,v=\"slice\"===d?u.dx:\"dice\"===d?u.dy:\"slice-dice\"===d?1&r.depth?u.dy:u.dx:Math.min(u.dx,u.dy);for(t(f,u.dx*u.dy/r.value),c.area=0;(l=f.length)>0;)c.push(a=f[l-1]),c.area+=a.area,\"squarify\"!==d||(s=n(c,v))<=p?(f.pop(),p=s):(c.area-=c.pop().area,i(c,v,u,!1),v=Math.min(u.dx,u.dy),c.length=c.area=0,p=1/0);c.length&&(i(c,v,u,!0),c.length=c.area=0),o.forEach(e)}}function r(e){var n=e.children;if(n&&n.length){var o,a=h(e),s=n.slice(),l=[];for(t(s,a.dx*a.dy/e.value),l.area=0;o=s.pop();)l.push(o),l.area+=o.area,null!=o.z&&(i(l,o.z?a.dx:a.dy,a,!s.length),l.length=l.area=0);n.forEach(r)}}function n(t,e){for(var r,n=t.area,i=0,o=1/0,a=-1,s=t.length;++a<s;)(r=t[a].area)&&(o>r&&(o=r),r>i&&(i=r));return n*=n,e*=e,n?Math.max(e*i*p/n,n/(e*o*p)):1/0}function i(t,e,r,n){var i,o=-1,a=t.length,s=r.x,u=r.y,c=e?l(t.area/e):0;if(e==r.dx){for((n||c>r.dy)&&(c=r.dy);++o<a;)i=t[o],i.x=s,i.y=u,i.dy=c,s+=i.dx=Math.min(r.x+r.dx-s,c?l(i.area/c):0);i.z=!0,i.dx+=r.x+r.dx-s,r.y+=c,r.dy-=c}else{for((n||c>r.dx)&&(c=r.dx);++o<a;)i=t[o],i.x=s,i.y=u,i.dx=c,u+=i.dy=Math.min(r.y+r.dy-u,c?l(i.area/c):0);i.z=!1,i.dy+=r.y+r.dy-u,r.x+=c,r.dx-=c}}function o(n){var i=a||s(n),o=i[0];return o.x=o.y=0,o.value?(o.dx=u[0],o.dy=u[1]):o.dx=o.dy=0,a&&s.revalue(o),t([o],o.dx*o.dy/o.value),(a?r:e)(o),f&&(a=i),i}var a,s=ca.layout.hierarchy(),l=Math.round,u=[1,1],c=null,h=qi,f=!1,d=\"squarify\",p=.5*(1+Math.sqrt(5));return o.size=function(t){return arguments.length?(u=t,o):u},o.padding=function(t){function e(e){var r=t.call(o,e,e.depth);return null==r?qi(e):Gi(e,\"number\"==typeof r?[r,r,r,r]:r)}function r(e){return Gi(e,t)}if(!arguments.length)return c;var n;return h=null==(c=t)?qi:\"function\"==(n=typeof t)?e:\"number\"===n?(t=[t,t,t,t],r):r,o},o.round=function(t){return arguments.length?(l=t?Math.round:Number,o):l!=Number},o.sticky=function(t){return arguments.length?(f=t,a=null,o):f},o.ratio=function(t){return arguments.length?(p=t,o):p},o.mode=function(t){return arguments.length?(d=t+\"\",o):d},ai(o,s)},ca.random={normal:function(t,e){var r=arguments.length;return 2>r&&(e=1),1>r&&(t=0),function(){var r,n,i;do r=2*Math.random()-1,n=2*Math.random()-1,i=r*r+n*n;while(!i||i>1);return t+e*r*Math.sqrt(-2*Math.log(i)/i)}},logNormal:function(){var t=ca.random.normal.apply(ca,arguments);return function(){return Math.exp(t())}},bates:function(t){var e=ca.random.irwinHall(t);return function(){return e()/t}},irwinHall:function(t){return function(){for(var e=0,r=0;t>r;r++)e+=Math.random();return e}}},ca.scale={};var Tl={floor:x,ceil:x};ca.scale.linear=function(){return Ji([0,1],[0,1],_n,!1)};var El={s:1,g:1,p:1,r:1,e:1};ca.scale.log=function(){return oo(ca.scale.linear().domain([0,1]),10,!0,[1,10])};var Sl=ca.format(\".0e\"),Ll={floor:function(t){return-Math.ceil(-t)},ceil:function(t){return-Math.floor(-t)}};ca.scale.pow=function(){return ao(ca.scale.linear(),1,[0,1])},ca.scale.sqrt=function(){return ca.scale.pow().exponent(.5)},ca.scale.ordinal=function(){return lo([],{t:\"range\",a:[[]]})},ca.scale.category10=function(){return ca.scale.ordinal().range(zl)},ca.scale.category20=function(){return ca.scale.ordinal().range(Il)},ca.scale.category20b=function(){return ca.scale.ordinal().range(Pl)},ca.scale.category20c=function(){return ca.scale.ordinal().range(Cl)};var zl=[2062260,16744206,2924588,14034728,9725885,9197131,14907330,8355711,12369186,1556175].map(_t),Il=[2062260,11454440,16744206,16759672,2924588,10018698,14034728,16750742,9725885,12955861,9197131,12885140,14907330,16234194,8355711,13092807,12369186,14408589,1556175,10410725].map(_t),Pl=[3750777,5395619,7040719,10264286,6519097,9216594,11915115,13556636,9202993,12426809,15186514,15190932,8666169,11356490,14049643,15177372,8077683,10834324,13528509,14589654].map(_t),Cl=[3244733,7057110,10406625,13032431,15095053,16616764,16625259,16634018,3253076,7652470,10607003,13101504,7695281,10394312,12369372,14342891,6513507,9868950,12434877,14277081].map(_t);ca.scale.quantile=function(){return uo([],[])},ca.scale.quantize=function(){return co(0,1,[0,1])},ca.scale.threshold=function(){return ho([.5],[0,1])},ca.scale.identity=function(){return fo([0,1])},ca.svg={},ca.svg.arc=function(){function t(){var t=Math.max(0,+r.apply(this,arguments)),u=Math.max(0,+n.apply(this,arguments)),c=a.apply(this,arguments)-Ga,h=s.apply(this,arguments)-Ga,f=Math.abs(h-c),d=c>h?0:1;if(t>u&&(p=u,u=t,t=p),f>=qa)return e(u,d)+(t?e(t,1-d):\"\")+\"Z\";var p,v,m,g,y,b,x,_,w,M,k,A,T=0,E=0,S=[];if((g=(+l.apply(this,arguments)||0)/2)&&(m=o===Rl?Math.sqrt(t*t+u*u):+o.apply(this,arguments),d||(E*=-1),u&&(E=nt(m/u*Math.sin(g))),t&&(T=nt(m/t*Math.sin(g)))),u){y=u*Math.cos(c+E),b=u*Math.sin(c+E),x=u*Math.cos(h-E),_=u*Math.sin(h-E);var L=Math.abs(h-c-2*E)<=Ua?0:1;if(E&&xo(y,b,x,_)===d^L){var z=(c+h)/2;y=u*Math.cos(z),b=u*Math.sin(z),x=_=null}}else y=b=0;if(t){w=t*Math.cos(h-T),M=t*Math.sin(h-T),k=t*Math.cos(c+T),A=t*Math.sin(c+T);var I=Math.abs(c-h+2*T)<=Ua?0:1;if(T&&xo(w,M,k,A)===1-d^I){var P=(c+h)/2;w=t*Math.cos(P),M=t*Math.sin(P),k=A=null}}else w=M=0;if(f>Na&&(p=Math.min(Math.abs(u-t)/2,+i.apply(this,arguments)))>.001){v=u>t^d?0:1;var C=p,R=p;if(Ua>f){var D=null==k?[w,M]:null==x?[y,b]:Dr([y,b],[k,A],[x,_],[w,M]),O=y-D[0],F=b-D[1],j=x-D[0],N=_-D[1],B=1/Math.sin(Math.acos((O*j+F*N)/(Math.sqrt(O*O+F*F)*Math.sqrt(j*j+N*N)))/2),U=Math.sqrt(D[0]*D[0]+D[1]*D[1]);R=Math.min(p,(t-U)/(B-1)),C=Math.min(p,(u-U)/(B+1))}if(null!=x){var V=_o(null==k?[w,M]:[k,A],[y,b],u,C,d),q=_o([x,_],[w,M],u,C,d);p===C?S.push(\"M\",V[0],\"A\",C,\",\",C,\" 0 0,\",v,\" \",V[1],\"A\",u,\",\",u,\" 0 \",1-d^xo(V[1][0],V[1][1],q[1][0],q[1][1]),\",\",d,\" \",q[1],\"A\",C,\",\",C,\" 0 0,\",v,\" \",q[0]):S.push(\"M\",V[0],\"A\",C,\",\",C,\" 0 1,\",v,\" \",q[0])}else S.push(\"M\",y,\",\",b);if(null!=k){var G=_o([y,b],[k,A],t,-R,d),H=_o([w,M],null==x?[y,b]:[x,_],t,-R,d);p===R?S.push(\"L\",H[0],\"A\",R,\",\",R,\" 0 0,\",v,\" \",H[1],\"A\",t,\",\",t,\" 0 \",d^xo(H[1][0],H[1][1],G[1][0],G[1][1]),\",\",1-d,\" \",G[1],\"A\",R,\",\",R,\" 0 0,\",v,\" \",G[0]):S.push(\"L\",H[0],\"A\",R,\",\",R,\" 0 0,\",v,\" \",G[0])}else S.push(\"L\",w,\",\",M)}else S.push(\"M\",y,\",\",b),null!=x&&S.push(\"A\",u,\",\",u,\" 0 \",L,\",\",d,\" \",x,\",\",_),S.push(\"L\",w,\",\",M),null!=k&&S.push(\"A\",t,\",\",t,\" 0 \",I,\",\",1-d,\" \",k,\",\",A);return S.push(\"Z\"),S.join(\"\")}function e(t,e){return\"M0,\"+t+\"A\"+t+\",\"+t+\" 0 1,\"+e+\" 0,\"+-t+\"A\"+t+\",\"+t+\" 0 1,\"+e+\" 0,\"+t}var r=vo,n=mo,i=po,o=Rl,a=go,s=yo,l=bo;return t.innerRadius=function(e){return arguments.length?(r=St(e),t):r},t.outerRadius=function(e){return arguments.length?(n=St(e),t):n},t.cornerRadius=function(e){return arguments.length?(i=St(e),t):i},t.padRadius=function(e){return arguments.length?(o=e==Rl?Rl:St(e),t):o},t.startAngle=function(e){return arguments.length?(a=St(e),t):a},t.endAngle=function(e){return arguments.length?(s=St(e),t):s},t.padAngle=function(e){return arguments.length?(l=St(e),t):l},t.centroid=function(){var t=(+r.apply(this,arguments)+ +n.apply(this,arguments))/2,e=(+a.apply(this,arguments)+ +s.apply(this,arguments))/2-Ga;return[Math.cos(e)*t,Math.sin(e)*t]},t};var Rl=\"auto\";ca.svg.line=function(){return wo(x)};var Dl=ca.map({linear:Mo,\"linear-closed\":ko,step:Ao,\"step-before\":To,\"step-after\":Eo,basis:Co,\"basis-open\":Ro,\"basis-closed\":Do,bundle:Oo,cardinal:zo,\"cardinal-open\":So,\"cardinal-closed\":Lo,monotone:Vo});Dl.forEach(function(t,e){e.key=t,e.closed=/-closed$/.test(t)});var Ol=[0,2/3,1/3,0],Fl=[0,1/3,2/3,0],jl=[0,1/6,2/3,1/6];ca.svg.line.radial=function(){var t=wo(qo);return t.radius=t.x,delete t.x,t.angle=t.y,delete t.y,t},To.reverse=Eo,Eo.reverse=To,ca.svg.area=function(){return Go(x)},ca.svg.area.radial=function(){var t=Go(qo);return t.radius=t.x,delete t.x,t.innerRadius=t.x0,delete t.x0,t.outerRadius=t.x1,delete t.x1,t.angle=t.y,delete t.y,t.startAngle=t.y0,delete t.y0,t.endAngle=t.y1,delete t.y1,t},ca.svg.chord=function(){function t(t,s){var l=e(this,o,t,s),u=e(this,a,t,s);return\"M\"+l.p0+n(l.r,l.p1,l.a1-l.a0)+(r(l,u)?i(l.r,l.p1,l.r,l.p0):i(l.r,l.p1,u.r,u.p0)+n(u.r,u.p1,u.a1-u.a0)+i(u.r,u.p1,l.r,l.p0))+\"Z\"}function e(t,e,r,n){var i=e.call(t,r,n),o=s.call(t,i,n),a=l.call(t,i,n)-Ga,c=u.call(t,i,n)-Ga;return{r:o,a0:a,a1:c,p0:[o*Math.cos(a),o*Math.sin(a)],p1:[o*Math.cos(c),o*Math.sin(c)]}}function r(t,e){return t.a0==e.a0&&t.a1==e.a1}function n(t,e,r){return\"A\"+t+\",\"+t+\" 0 \"+ +(r>Ua)+\",1 \"+e}function i(t,e,r,n){return\"Q 0,0 \"+n}var o=xr,a=_r,s=Ho,l=go,u=yo;return t.radius=function(e){return arguments.length?(s=St(e),t):s},t.source=function(e){return arguments.length?(o=St(e),t):o},t.target=function(e){return arguments.length?(a=St(e),t):a},t.startAngle=function(e){return arguments.length?(l=St(e),t):l},t.endAngle=function(e){return arguments.length?(u=St(e),t):u},t},ca.svg.diagonal=function(){function t(t,i){var o=e.call(this,t,i),a=r.call(this,t,i),s=(o.y+a.y)/2,l=[o,{x:o.x,y:s},{x:a.x,y:s},a];return l=l.map(n),\"M\"+l[0]+\"C\"+l[1]+\" \"+l[2]+\" \"+l[3]}var e=xr,r=_r,n=Xo;return t.source=function(r){return arguments.length?(e=St(r),t):e},t.target=function(e){return arguments.length?(r=St(e),t):r},t.projection=function(e){return arguments.length?(n=e,t):n},t},ca.svg.diagonal.radial=function(){var t=ca.svg.diagonal(),e=Xo,r=t.projection;return t.projection=function(t){return arguments.length?r(Yo(e=t)):e},t},ca.svg.symbol=function(){function t(t,n){return(Nl.get(e.call(this,t,n))||Ko)(r.call(this,t,n))}var e=Zo,r=Wo;return t.type=function(r){return arguments.length?(e=St(r),t):e},t.size=function(e){return arguments.length?(r=St(e),t):r},t};var Nl=ca.map({circle:Ko,cross:function(t){var e=Math.sqrt(t/5)/2;return\"M\"+-3*e+\",\"+-e+\"H\"+-e+\"V\"+-3*e+\"H\"+e+\"V\"+-e+\"H\"+3*e+\"V\"+e+\"H\"+e+\"V\"+3*e+\"H\"+-e+\"V\"+e+\"H\"+-3*e+\"Z\"},diamond:function(t){var e=Math.sqrt(t/(2*Ul)),r=e*Ul;return\"M0,\"+-e+\"L\"+r+\",0 0,\"+e+\" \"+-r+\",0Z\"},square:function(t){var e=Math.sqrt(t)/2;return\"M\"+-e+\",\"+-e+\"L\"+e+\",\"+-e+\" \"+e+\",\"+e+\" \"+-e+\",\"+e+\"Z\"},\"triangle-down\":function(t){var e=Math.sqrt(t/Bl),r=e*Bl/2;return\"M0,\"+r+\"L\"+e+\",\"+-r+\" \"+-e+\",\"+-r+\"Z\"},\"triangle-up\":function(t){var e=Math.sqrt(t/Bl),r=e*Bl/2;return\"M0,\"+-r+\"L\"+e+\",\"+r+\" \"+-e+\",\"+r+\"Z\"}});ca.svg.symbolTypes=Nl.keys();var Bl=Math.sqrt(3),Ul=Math.tan(30*Ha);Ia.transition=function(t){for(var e,r,n=Vl||++Xl,i=ea(t),o=[],a=ql||{time:Date.now(),ease:Sn,delay:0,duration:250},s=-1,l=this.length;++s<l;){o.push(e=[]);for(var u=this[s],c=-1,h=u.length;++c<h;)(r=u[c])&&ra(r,c,i,n,a),e.push(r)}return $o(o,i,n)},Ia.interrupt=function(t){return this.each(null==t?Gl:Jo(ea(t)))};var Vl,ql,Gl=Jo(ea()),Hl=[],Xl=0;Hl.call=Ia.call,Hl.empty=Ia.empty,Hl.node=Ia.node,Hl.size=Ia.size,ca.transition=function(t,e){return t&&t.transition?Vl?t.transition(e):t:ca.selection().transition(t)},ca.transition.prototype=Hl,Hl.select=function(t){var e,r,n,i=this.id,o=this.namespace,a=[];t=z(t);for(var s=-1,l=this.length;++s<l;){a.push(e=[]);for(var u=this[s],c=-1,h=u.length;++c<h;)(n=u[c])&&(r=t.call(n,n.__data__,c,s))?(\"__data__\"in n&&(r.__data__=n.__data__),ra(r,c,o,i,n[o][i]),e.push(r)):e.push(null)}return $o(a,o,i)},Hl.selectAll=function(t){var e,r,n,i,o,a=this.id,s=this.namespace,l=[];t=I(t);for(var u=-1,c=this.length;++u<c;)for(var h=this[u],f=-1,d=h.length;++f<d;)if(n=h[f]){o=n[s][a],r=t.call(n,n.__data__,f,u),l.push(e=[]);for(var p=-1,v=r.length;++p<v;)(i=r[p])&&ra(i,p,s,a,o),e.push(i)}return $o(l,s,a)},Hl.filter=function(t){var e,r,n,i=[];\"function\"!=typeof t&&(t=q(t));for(var o=0,a=this.length;a>o;o++){i.push(e=[]);for(var r=this[o],s=0,l=r.length;l>s;s++)(n=r[s])&&t.call(n,n.__data__,s,o)&&e.push(n)}return $o(i,this.namespace,this.id)},Hl.tween=function(t,e){var r=this.id,n=this.namespace;return arguments.length<2?this.node()[n][r].tween.get(t):H(this,null==e?function(e){e[n][r].tween.remove(t)}:function(i){i[n][r].tween.set(t,e)})},Hl.attr=function(t,e){function r(){this.removeAttribute(s)}function n(){this.removeAttributeNS(s.space,s.local)}function i(t){return null==t?r:(t+=\"\",function(){var e,r=this.getAttribute(s);return r!==t&&(e=a(r,t),function(t){this.setAttribute(s,e(t))})})}function o(t){return null==t?n:(t+=\"\",function(){var e,r=this.getAttributeNS(s.space,s.local);return r!==t&&(e=a(r,t),function(t){this.setAttributeNS(s.space,s.local,e(t))})})}if(arguments.length<2){for(e in t)this.attr(e,t[e]);return this}var a=\"transform\"==t?Zn:_n,s=ca.ns.qualify(t);return Qo(this,\"attr.\"+t,e,s.local?o:i)},Hl.attrTween=function(t,e){function r(t,r){var n=e.call(this,t,r,this.getAttribute(i));return n&&function(t){this.setAttribute(i,n(t))}}function n(t,r){var n=e.call(this,t,r,this.getAttributeNS(i.space,i.local));return n&&function(t){this.setAttributeNS(i.space,i.local,n(t))}}var i=ca.ns.qualify(t);return this.tween(\"attr.\"+t,i.local?n:r)},Hl.style=function(t,e,r){function i(){this.style.removeProperty(t)}function o(e){return null==e?i:(e+=\"\",function(){var i,o=n(this).getComputedStyle(this,null).getPropertyValue(t);return o!==e&&(i=_n(o,e),function(e){this.style.setProperty(t,i(e),r)})})}var a=arguments.length;if(3>a){if(\"string\"!=typeof t){2>a&&(e=\"\");for(r in t)this.style(r,t[r],e);return this}r=\"\"}return Qo(this,\"style.\"+t,e,o)},Hl.styleTween=function(t,e,r){function i(i,o){var a=e.call(this,i,o,n(this).getComputedStyle(this,null).getPropertyValue(t));return a&&function(e){this.style.setProperty(t,a(e),r)}}return arguments.length<3&&(r=\"\"),this.tween(\"style.\"+t,i)},Hl.text=function(t){return Qo(this,\"text\",t,ta)},Hl.remove=function(){var t=this.namespace;return this.each(\"end.transition\",function(){var e;this[t].count<2&&(e=this.parentNode)&&e.removeChild(this)})},Hl.ease=function(t){var e=this.id,r=this.namespace;return arguments.length<1?this.node()[r][e].ease:(\"function\"!=typeof t&&(t=ca.ease.apply(ca,arguments)),H(this,function(n){n[r][e].ease=t}))},Hl.delay=function(t){var e=this.id,r=this.namespace;return arguments.length<1?this.node()[r][e].delay:H(this,\"function\"==typeof t?function(n,i,o){n[r][e].delay=+t.call(n,n.__data__,i,o)}:(t=+t,function(n){n[r][e].delay=t}))},Hl.duration=function(t){var e=this.id,r=this.namespace;return arguments.length<1?this.node()[r][e].duration:H(this,\"function\"==typeof t?function(n,i,o){n[r][e].duration=Math.max(1,t.call(n,n.__data__,i,o))}:(t=Math.max(1,t),function(n){n[r][e].duration=t}))},Hl.each=function(t,e){var r=this.id,n=this.namespace;if(arguments.length<2){var i=ql,o=Vl;try{Vl=r,H(this,function(e,i,o){ql=e[n][r],t.call(e,e.__data__,i,o)})}finally{ql=i,Vl=o}}else H(this,function(i){var o=i[n][r];(o.event||(o.event=ca.dispatch(\"start\",\"end\",\"interrupt\"))).on(t,e)});return this},Hl.transition=function(){for(var t,e,r,n,i=this.id,o=++Xl,a=this.namespace,s=[],l=0,u=this.length;u>l;l++){s.push(t=[]);for(var e=this[l],c=0,h=e.length;h>c;c++)(r=e[c])&&(n=r[a][i],ra(r,c,a,o,{time:n.time,ease:n.ease,delay:n.delay+n.duration,duration:n.duration})),t.push(r)}return $o(s,a,o)},ca.svg.axis=function(){function t(t){t.each(function(){var t,u=ca.select(this),c=this.__chart__||r,h=this.__chart__=r.copy(),f=null==l?h.ticks?h.ticks.apply(h,s):h.domain():l,d=null==e?h.tickFormat?h.tickFormat.apply(h,s):x:e,p=u.selectAll(\".tick\").data(f,h),v=p.enter().insert(\"g\",\".domain\").attr(\"class\",\"tick\").style(\"opacity\",Na),m=ca.transition(p.exit()).style(\"opacity\",Na).remove(),g=ca.transition(p.order()).style(\"opacity\",1),y=Math.max(i,0)+a,b=Xi(h),_=u.selectAll(\".domain\").data([0]),w=(_.enter().append(\"path\").attr(\"class\",\"domain\"),ca.transition(_));v.append(\"line\"),v.append(\"text\");var M,k,A,T,E=v.select(\"line\"),S=g.select(\"line\"),L=p.select(\"text\").text(d),z=v.select(\"text\"),I=g.select(\"text\"),P=\"top\"===n||\"left\"===n?-1:1;if(\"bottom\"===n||\"top\"===n?(t=na,M=\"x\",A=\"y\",k=\"x2\",T=\"y2\",L.attr(\"dy\",0>P?\"0em\":\".71em\").style(\"text-anchor\",\"middle\"),w.attr(\"d\",\"M\"+b[0]+\",\"+P*o+\"V0H\"+b[1]+\"V\"+P*o)):(t=ia,M=\"y\",A=\"x\",k=\"y2\",T=\"x2\",L.attr(\"dy\",\".32em\").style(\"text-anchor\",0>P?\"end\":\"start\"),w.attr(\"d\",\"M\"+P*o+\",\"+b[0]+\"H0V\"+b[1]+\"H\"+P*o)),E.attr(T,P*i),z.attr(A,P*y),S.attr(k,0).attr(T,P*i),I.attr(M,0).attr(A,P*y),h.rangeBand){var C=h,R=C.rangeBand()/2;c=h=function(t){return C(t)+R}}else c.rangeBand?c=h:m.call(t,h,c);v.call(t,c,h),g.call(t,h,h)})}var e,r=ca.scale.linear(),n=Yl,i=6,o=6,a=3,s=[10],l=null;return t.scale=function(e){return arguments.length?(r=e,t):r},t.orient=function(e){return arguments.length?(n=e in Wl?e+\"\":Yl,t):n},t.ticks=function(){return arguments.length?(s=fa(arguments),t):s},t.tickValues=function(e){return arguments.length?(l=e,t):l},t.tickFormat=function(r){return arguments.length?(e=r,t):e},t.tickSize=function(e){var r=arguments.length;return r?(i=+e,o=+arguments[r-1],t):i},t.innerTickSize=function(e){return arguments.length?(i=+e,t):i},t.outerTickSize=function(e){return arguments.length?(o=+e,t):o},t.tickPadding=function(e){return arguments.length?(a=+e,t):a},t.tickSubdivide=function(){return arguments.length&&t},t};var Yl=\"bottom\",Wl={top:1,right:1,bottom:1,left:1};ca.svg.brush=function(){function t(n){n.each(function(){var n=ca.select(this).style(\"pointer-events\",\"all\").style(\"-webkit-tap-highlight-color\",\"rgba(0,0,0,0)\").on(\"mousedown.brush\",o).on(\"touchstart.brush\",o),a=n.selectAll(\".background\").data([0]);a.enter().append(\"rect\").attr(\"class\",\"background\").style(\"visibility\",\"hidden\").style(\"cursor\",\"crosshair\"),n.selectAll(\".extent\").data([0]).enter().append(\"rect\").attr(\"class\",\"extent\").style(\"cursor\",\"move\");var s=n.selectAll(\".resize\").data(v,x);s.exit().remove(),s.enter().append(\"g\").attr(\"class\",function(t){return\"resize \"+t}).style(\"cursor\",function(t){return Zl[t]}).append(\"rect\").attr(\"x\",function(t){return/[ew]$/.test(t)?-3:null}).attr(\"y\",function(t){return/^[ns]/.test(t)?-3:null}).attr(\"width\",6).attr(\"height\",6).style(\"visibility\",\"hidden\"),s.style(\"display\",t.empty()?\"none\":null);var l,h=ca.transition(n),f=ca.transition(a);u&&(l=Xi(u),f.attr(\"x\",l[0]).attr(\"width\",l[1]-l[0]),r(h)),c&&(l=Xi(c),f.attr(\"y\",l[0]).attr(\"height\",l[1]-l[0]),i(h)),e(h)})}function e(t){t.selectAll(\".resize\").attr(\"transform\",function(t){return\"translate(\"+h[+/e$/.test(t)]+\",\"+f[+/^s/.test(t)]+\")\"})}function r(t){t.select(\".extent\").attr(\"x\",h[0]),t.selectAll(\".extent,.n>rect,.s>rect\").attr(\"width\",h[1]-h[0])}function i(t){t.select(\".extent\").attr(\"y\",f[0]),t.selectAll(\".extent,.e>rect,.w>rect\").attr(\"height\",f[1]-f[0])}function o(){function o(){32==ca.event.keyCode&&(L||(b=null,I[0]-=h[1],I[1]-=f[1],L=2),T())}function v(){32==ca.event.keyCode&&2==L&&(I[0]+=h[1],I[1]+=f[1],L=0,T())}function m(){var t=ca.mouse(_),n=!1;x&&(t[0]+=x[0],t[1]+=x[1]),L||(ca.event.altKey?(b||(b=[(h[0]+h[1])/2,(f[0]+f[1])/2]),I[0]=h[+(t[0]<b[0])],I[1]=f[+(t[1]<b[1])]):b=null),E&&g(t,u,0)&&(r(k),n=!0),S&&g(t,c,1)&&(i(k),n=!0),n&&(e(k),M({type:\"brush\",mode:L?\"move\":\"resize\"}))}function g(t,e,r){var n,i,o=Xi(e),l=o[0],u=o[1],c=I[r],v=r?f:h,m=v[1]-v[0];return L&&(l-=c,u-=m+c),n=(r?p:d)?Math.max(l,Math.min(u,t[r])):t[r],L?i=(n+=c)+m:(b&&(c=Math.max(l,Math.min(u,2*b[r]-n))),n>c?(i=n,n=c):i=c),v[0]!=n||v[1]!=i?(r?s=null:a=null,v[0]=n,v[1]=i,!0):void 0}function y(){m(),k.style(\"pointer-events\",\"all\").selectAll(\".resize\").style(\"display\",t.empty()?\"none\":null),ca.select(\"body\").style(\"cursor\",null),P.on(\"mousemove.brush\",null).on(\"mouseup.brush\",null).on(\"touchmove.brush\",null).on(\"touchend.brush\",null).on(\"keydown.brush\",null).on(\"keyup.brush\",null),z(),M({type:\"brushend\"})}var b,x,_=this,w=ca.select(ca.event.target),M=l.of(_,arguments),k=ca.select(_),A=w.datum(),E=!/^(n|s)$/.test(A)&&u,S=!/^(e|w)$/.test(A)&&c,L=w.classed(\"extent\"),z=J(_),I=ca.mouse(_),P=ca.select(n(_)).on(\"keydown.brush\",o).on(\"keyup.brush\",v);if(ca.event.changedTouches?P.on(\"touchmove.brush\",m).on(\"touchend.brush\",y):P.on(\"mousemove.brush\",m).on(\"mouseup.brush\",y),k.interrupt().selectAll(\"*\").interrupt(),L)I[0]=h[0]-I[0],I[1]=f[0]-I[1];else if(A){var C=+/w$/.test(A),R=+/^n/.test(A);x=[h[1-C]-I[0],f[1-R]-I[1]],I[0]=h[C],I[1]=f[R]}else ca.event.altKey&&(b=I.slice());k.style(\"pointer-events\",\"none\").selectAll(\".resize\").style(\"display\",null),ca.select(\"body\").style(\"cursor\",w.style(\"cursor\")),M({type:\"brushstart\"}),m()}var a,s,l=S(t,\"brushstart\",\"brush\",\"brushend\"),u=null,c=null,h=[0,0],f=[0,0],d=!0,p=!0,v=Kl[0];return t.event=function(t){t.each(function(){var t=l.of(this,arguments),e={x:h,y:f,i:a,j:s},r=this.__chart__||e;this.__chart__=e,Vl?ca.select(this).transition().each(\"start.brush\",function(){a=r.i,s=r.j,h=r.x,f=r.y,t({type:\"brushstart\"})}).tween(\"brush:brush\",function(){var r=wn(h,e.x),n=wn(f,e.y);return a=s=null,function(i){h=e.x=r(i),f=e.y=n(i),t({type:\"brush\",mode:\"resize\"})}}).each(\"end.brush\",function(){a=e.i,s=e.j,t({type:\"brush\",mode:\"resize\"}),t({type:\"brushend\"})}):(t({type:\"brushstart\"}),t({type:\"brush\",mode:\"resize\"}),t({type:\"brushend\"}))})},t.x=function(e){return arguments.length?(u=e,v=Kl[!u<<1|!c],t):u},t.y=function(e){return arguments.length?(c=e,v=Kl[!u<<1|!c],t):c},t.clamp=function(e){return arguments.length?(u&&c?(d=!!e[0],p=!!e[1]):u?d=!!e:c&&(p=!!e),t):u&&c?[d,p]:u?d:c?p:null},t.extent=function(e){var r,n,i,o,l;return arguments.length?(u&&(r=e[0],n=e[1],c&&(r=r[0],n=n[0]),a=[r,n],u.invert&&(r=u(r),n=u(n)),r>n&&(l=r,r=n,n=l),r==h[0]&&n==h[1]||(h=[r,n])),c&&(i=e[0],o=e[1],u&&(i=i[1],o=o[1]),s=[i,o],c.invert&&(i=c(i),o=c(o)),i>o&&(l=i,i=o,o=l),i==f[0]&&o==f[1]||(f=[i,o])),t):(u&&(a?(r=a[0],n=a[1]):(r=h[0],n=h[1],u.invert&&(r=u.invert(r),n=u.invert(n)),r>n&&(l=r,r=n,n=l))),c&&(s?(i=s[0],o=s[1]):(i=f[0],o=f[1],c.invert&&(i=c.invert(i),o=c.invert(o)),i>o&&(l=i,i=o,o=l))),u&&c?[[r,i],[n,o]]:u?[r,n]:c&&[i,o])},t.clear=function(){return t.empty()||(h=[0,0],f=[0,0],a=s=null),t},t.empty=function(){return!!u&&h[0]==h[1]||!!c&&f[0]==f[1]},ca.rebind(t,l,\"on\")};var Zl={n:\"ns-resize\",e:\"ew-resize\",s:\"ns-resize\",w:\"ew-resize\",nw:\"nwse-resize\",ne:\"nesw-resize\",se:\"nwse-resize\",sw:\"nesw-resize\"},Kl=[[\"n\",\"e\",\"s\",\"w\",\"nw\",\"ne\",\"se\",\"sw\"],[\"e\",\"w\"],[\"n\",\"s\"],[]],Jl=ms.format=ws.timeFormat,$l=Jl.utc,Ql=$l(\"%Y-%m-%dT%H:%M:%S.%LZ\");Jl.iso=Date.prototype.toISOString&&+new Date(\"2000-01-01T00:00:00.000Z\")?oa:Ql,oa.parse=function(t){var e=new Date(t);return isNaN(e)?null:e},oa.toString=Ql.toString,ms.second=Vt(function(t){return new gs(1e3*Math.floor(t/1e3))},function(t,e){t.setTime(t.getTime()+1e3*Math.floor(e))},function(t){return t.getSeconds()}),ms.seconds=ms.second.range,ms.seconds.utc=ms.second.utc.range,ms.minute=Vt(function(t){return new gs(6e4*Math.floor(t/6e4))},function(t,e){t.setTime(t.getTime()+6e4*Math.floor(e))},function(t){return t.getMinutes()}),ms.minutes=ms.minute.range,ms.minutes.utc=ms.minute.utc.range,ms.hour=Vt(function(t){var e=t.getTimezoneOffset()/60;return new gs(36e5*(Math.floor(t/36e5-e)+e))},function(t,e){t.setTime(t.getTime()+36e5*Math.floor(e))},function(t){return t.getHours()}),ms.hours=ms.hour.range,ms.hours.utc=ms.hour.utc.range,ms.month=Vt(function(t){return t=ms.day(t),t.setDate(1),t},function(t,e){t.setMonth(t.getMonth()+e)},function(t){return t.getMonth()}),ms.months=ms.month.range,ms.months.utc=ms.month.utc.range;var tu=[1e3,5e3,15e3,3e4,6e4,3e5,9e5,18e5,36e5,108e5,216e5,432e5,864e5,1728e5,6048e5,2592e6,7776e6,31536e6],eu=[[ms.second,1],[ms.second,5],[ms.second,15],[ms.second,30],[ms.minute,1],[ms.minute,5],[ms.minute,15],[ms.minute,30],[ms.hour,1],[ms.hour,3],[ms.hour,6],[ms.hour,12],[ms.day,1],[ms.day,2],[ms.week,1],[ms.month,1],[ms.month,3],[ms.year,1]],ru=Jl.multi([[\".%L\",function(t){return t.getMilliseconds()}],[\":%S\",function(t){return t.getSeconds()}],[\"%I:%M\",function(t){return t.getMinutes()}],[\"%I %p\",function(t){return t.getHours()}],[\"%a %d\",function(t){return t.getDay()&&1!=t.getDate()}],[\"%b %d\",function(t){return 1!=t.getDate()}],[\"%B\",function(t){return t.getMonth()}],[\"%Y\",Ie]]),nu={range:function(t,e,r){return ca.range(Math.ceil(t/r)*r,+e,r).map(sa)},floor:x,ceil:x};eu.year=ms.year,ms.scale=function(){return aa(ca.scale.linear(),eu,ru)};var iu=eu.map(function(t){return[t[0].utc,t[1]]}),ou=$l.multi([[\".%L\",function(t){return t.getUTCMilliseconds()}],[\":%S\",function(t){return t.getUTCSeconds()}],[\"%I:%M\",function(t){return t.getUTCMinutes()}],[\"%I %p\",function(t){return t.getUTCHours()}],[\"%a %d\",function(t){return t.getUTCDay()&&1!=t.getUTCDate()}],[\"%b %d\",function(t){return 1!=t.getUTCDate()}],[\"%B\",function(t){return t.getUTCMonth()}],[\"%Y\",Ie]]);iu.year=ms.year.utc,ms.scale.utc=function(){return aa(ca.scale.linear(),iu,ou)},ca.text=Lt(function(t){return t.responseText}),ca.json=function(t,e){return zt(t,\"application/json\",la,e)},ca.html=function(t,e){return zt(t,\"text/html\",ua,e)},ca.xml=Lt(function(t){return t.responseXML}),\"function\"==typeof t&&t.amd?(this.d3=ca,t(ca)):\"object\"==typeof r&&r.exports?r.exports=ca:this.d3=ca}()},{}],120:[function(t,e,r){\"use strict\";function n(t,e){this.point=t,this.index=e}function i(t,e){for(var r=t.point,n=e.point,i=r.length,o=0;i>o;++o){var a=n[o]-r[o];if(a)return a}return 0}function o(t,e,r){if(1===t)return r?[[-1,0]]:[];var n=e.map(function(t,e){return[t[0],e]});n.sort(function(t,e){return t[0]-e[0]});for(var i=new Array(t-1),o=1;t>o;++o){var a=n[o-1],s=n[o];i[o-1]=[a[1],s[1]]}return r&&i.push([-1,i[0][1]],[i[t-1][1],-1]),i}function a(t,e){var r=t.length;if(0===r)return[];var a=t[0].length;if(1>a)return[];if(1===a)return o(r,t,e);for(var u=new Array(r),c=1,h=0;r>h;++h){for(var f=t[h],d=new Array(a+1),p=0,v=0;a>v;++v){var m=f[v];d[v]=m,p+=m*m;\n}d[a]=p,u[h]=new n(d,h),c=Math.max(p,c)}l(u,i),r=u.length;for(var g=new Array(r+a+1),y=new Array(r+a+1),b=(a+1)*(a+1)*c,x=new Array(a+1),h=0;a>=h;++h)x[h]=0;x[a]=b,g[0]=x.slice(),y[0]=-1;for(var h=0;a>=h;++h){var d=x.slice();d[h]=1,g[h+1]=d,y[h+1]=-1}for(var h=0;r>h;++h){var _=u[h];g[h+a+1]=_.point,y[h+a+1]=_.index}var w=s(g,!1);if(w=e?w.filter(function(t){for(var e=0,r=0;a>=r;++r){var n=y[t[r]];if(0>n&&++e>=2)return!1;t[r]=n}return!0}):w.filter(function(t){for(var e=0;a>=e;++e){var r=y[t[e]];if(0>r)return!1;t[e]=r}return!0}),1&a)for(var h=0;h<w.length;++h){var _=w[h],d=_[0];_[0]=_[1],_[1]=d}return w}var s=t(\"incremental-convex-hull\"),l=t(\"uniq\");e.exports=a},{\"incremental-convex-hull\":241,uniq:459}],121:[function(t,e,r){\"use strict\";function n(t,e,r){var i=0|t[r];if(0>=i)return[];var o,a=new Array(i);if(r===t.length-1)for(o=0;i>o;++o)a[o]=e;else for(o=0;i>o;++o)a[o]=n(t,e,r+1);return a}function i(t,e){var r,n;for(r=new Array(t),n=0;t>n;++n)r[n]=e;return r}function o(t,e){switch(\"undefined\"==typeof e&&(e=0),typeof t){case\"number\":if(t>0)return i(0|t,e);break;case\"object\":if(\"number\"==typeof t.length)return n(t,e,0)}return[]}e.exports=o},{}],122:[function(e,r,n){(function(n,i){(function(){\"use strict\";function o(t){return\"function\"==typeof t||\"object\"==typeof t&&null!==t}function a(t){return\"function\"==typeof t}function s(t){X=t}function l(t){K=t}function u(){return function(){n.nextTick(p)}}function c(){return function(){H(p)}}function h(){var t=0,e=new Q(p),r=document.createTextNode(\"\");return e.observe(r,{characterData:!0}),function(){r.data=t=++t%2}}function f(){var t=new MessageChannel;return t.port1.onmessage=p,function(){t.port2.postMessage(0)}}function d(){return function(){setTimeout(p,1)}}function p(){for(var t=0;Z>t;t+=2){var e=rt[t],r=rt[t+1];e(r),rt[t]=void 0,rt[t+1]=void 0}Z=0}function v(){try{var t=e,r=t(\"vertx\");return H=r.runOnLoop||r.runOnContext,c()}catch(n){return d()}}function m(t,e){var r=this,n=r._state;if(n===at&&!t||n===st&&!e)return this;var i=new this.constructor(y),o=r._result;if(n){var a=arguments[n-1];K(function(){R(n,i,a,o)})}else z(r,i,t,e);return i}function g(t){var e=this;if(t&&\"object\"==typeof t&&t.constructor===e)return t;var r=new e(y);return T(r,t),r}function y(){}function b(){return new TypeError(\"You cannot resolve a promise with itself\")}function x(){return new TypeError(\"A promises callback cannot return that same promise.\")}function _(t){try{return t.then}catch(e){return lt.error=e,lt}}function w(t,e,r,n){try{t.call(e,r,n)}catch(i){return i}}function M(t,e,r){K(function(t){var n=!1,i=w(r,e,function(r){n||(n=!0,e!==r?T(t,r):S(t,r))},function(e){n||(n=!0,L(t,e))},\"Settle: \"+(t._label||\" unknown promise\"));!n&&i&&(n=!0,L(t,i))},t)}function k(t,e){e._state===at?S(t,e._result):e._state===st?L(t,e._result):z(e,void 0,function(e){T(t,e)},function(e){L(t,e)})}function A(t,e,r){e.constructor===t.constructor&&r===nt&&constructor.resolve===it?k(t,e):r===lt?L(t,lt.error):void 0===r?S(t,e):a(r)?M(t,e,r):S(t,e)}function T(t,e){t===e?L(t,b()):o(e)?A(t,e,_(e)):S(t,e)}function E(t){t._onerror&&t._onerror(t._result),I(t)}function S(t,e){t._state===ot&&(t._result=e,t._state=at,0!==t._subscribers.length&&K(I,t))}function L(t,e){t._state===ot&&(t._state=st,t._result=e,K(E,t))}function z(t,e,r,n){var i=t._subscribers,o=i.length;t._onerror=null,i[o]=e,i[o+at]=r,i[o+st]=n,0===o&&t._state&&K(I,t)}function I(t){var e=t._subscribers,r=t._state;if(0!==e.length){for(var n,i,o=t._result,a=0;a<e.length;a+=3)n=e[a],i=e[a+r],n?R(r,n,i,o):i(o);t._subscribers.length=0}}function P(){this.error=null}function C(t,e){try{return t(e)}catch(r){return ut.error=r,ut}}function R(t,e,r,n){var i,o,s,l,u=a(r);if(u){if(i=C(r,n),i===ut?(l=!0,o=i.error,i=null):s=!0,e===i)return void L(e,x())}else i=n,s=!0;e._state!==ot||(u&&s?T(e,i):l?L(e,o):t===at?S(e,i):t===st&&L(e,i))}function D(t,e){try{e(function(e){T(t,e)},function(e){L(t,e)})}catch(r){L(t,r)}}function O(t){return new vt(this,t).promise}function F(t){function e(t){T(i,t)}function r(t){L(i,t)}var n=this,i=new n(y);if(!W(t))return L(i,new TypeError(\"You must pass an array to race.\")),i;for(var o=t.length,a=0;i._state===ot&&o>a;a++)z(n.resolve(t[a]),void 0,e,r);return i}function j(t){var e=this,r=new e(y);return L(r,t),r}function N(){throw new TypeError(\"You must pass a resolver function as the first argument to the promise constructor\")}function B(){throw new TypeError(\"Failed to construct 'Promise': Please use the 'new' operator, this object constructor cannot be called as a function.\")}function U(t){this._id=dt++,this._state=void 0,this._result=void 0,this._subscribers=[],y!==t&&(\"function\"!=typeof t&&N(),this instanceof U?D(this,t):B())}function V(t,e){this._instanceConstructor=t,this.promise=new t(y),Array.isArray(e)?(this._input=e,this.length=e.length,this._remaining=e.length,this._result=new Array(this.length),0===this.length?S(this.promise,this._result):(this.length=this.length||0,this._enumerate(),0===this._remaining&&S(this.promise,this._result))):L(this.promise,this._validationError())}function q(){var t;if(\"undefined\"!=typeof i)t=i;else if(\"undefined\"!=typeof self)t=self;else try{t=Function(\"return this\")()}catch(e){throw new Error(\"polyfill failed because global object is unavailable in this environment\")}var r=t.Promise;r&&\"[object Promise]\"===Object.prototype.toString.call(r.resolve())&&!r.cast||(t.Promise=pt)}var G;G=Array.isArray?Array.isArray:function(t){return\"[object Array]\"===Object.prototype.toString.call(t)};var H,X,Y,W=G,Z=0,K=function(t,e){rt[Z]=t,rt[Z+1]=e,Z+=2,2===Z&&(X?X(p):Y())},J=\"undefined\"!=typeof window?window:void 0,$=J||{},Q=$.MutationObserver||$.WebKitMutationObserver,tt=\"undefined\"!=typeof n&&\"[object process]\"==={}.toString.call(n),et=\"undefined\"!=typeof Uint8ClampedArray&&\"undefined\"!=typeof importScripts&&\"undefined\"!=typeof MessageChannel,rt=new Array(1e3);Y=tt?u():Q?h():et?f():void 0===J&&\"function\"==typeof e?v():d();var nt=m,it=g,ot=void 0,at=1,st=2,lt=new P,ut=new P,ct=O,ht=F,ft=j,dt=0,pt=U;U.all=ct,U.race=ht,U.resolve=it,U.reject=ft,U._setScheduler=s,U._setAsap=l,U._asap=K,U.prototype={constructor:U,then:nt,\"catch\":function(t){return this.then(null,t)}};var vt=V;V.prototype._validationError=function(){return new Error(\"Array Methods must be provided an Array\")},V.prototype._enumerate=function(){for(var t=this.length,e=this._input,r=0;this._state===ot&&t>r;r++)this._eachEntry(e[r],r)},V.prototype._eachEntry=function(t,e){var r=this._instanceConstructor,n=r.resolve;if(n===it){var i=_(t);if(i===nt&&t._state!==ot)this._settledAt(t._state,e,t._result);else if(\"function\"!=typeof i)this._remaining--,this._result[e]=t;else if(r===pt){var o=new r(y);A(o,t,i),this._willSettleAt(o,e)}else this._willSettleAt(new r(function(e){e(t)}),e)}else this._willSettleAt(n(t),e)},V.prototype._settledAt=function(t,e,r){var n=this.promise;n._state===ot&&(this._remaining--,t===st?L(n,r):this._result[e]=r),0===this._remaining&&S(n,this._result)},V.prototype._willSettleAt=function(t,e){var r=this;z(t,void 0,function(t){r._settledAt(at,e,t)},function(t){r._settledAt(st,e,t)})};var mt=q,gt={Promise:pt,polyfill:mt};\"function\"==typeof t&&t.amd?t(function(){return gt}):\"undefined\"!=typeof r&&r.exports?r.exports=gt:\"undefined\"!=typeof this&&(this.ES6Promise=gt),mt()}).call(this)}).call(this,e(\"_process\"),\"undefined\"!=typeof global?global:\"undefined\"!=typeof self?self:\"undefined\"!=typeof window?window:{})},{_process:60}],123:[function(t,e,r){\"use strict\";function n(t){for(var e,r=t.length,n=0;r>n;n++)if(e=t.charCodeAt(n),(9>e||e>13)&&32!==e&&133!==e&&160!==e&&5760!==e&&6158!==e&&(8192>e||e>8205)&&8232!==e&&8233!==e&&8239!==e&&8287!==e&&8288!==e&&12288!==e&&65279!==e)return!1;return!0}e.exports=function(t){var e=typeof t;if(\"string\"===e){var r=t;if(t=+t,0===t&&n(r))return!1}else if(\"number\"!==e)return!1;return 1>t-t}},{}],124:[function(t,e,r){\"use strict\";function n(t,e,r,n,i){this.gl=t,this.type=e,this.handle=r,this.length=n,this.usage=i}function i(t,e,r,n,i,o){var a=i.length*i.BYTES_PER_ELEMENT;if(0>o)return t.bufferData(e,i,n),a;if(a+o>r)throw new Error(\"gl-buffer: If resizing buffer, must not specify offset\");return t.bufferSubData(e,o,i),r}function o(t,e){for(var r=l.malloc(t.length,e),n=t.length,i=0;n>i;++i)r[i]=t[i];return r}function a(t,e){for(var r=1,n=e.length-1;n>=0;--n){if(e[n]!==r)return!1;r*=t[n]}return!0}function s(t,e,r,i){if(r=r||t.ARRAY_BUFFER,i=i||t.DYNAMIC_DRAW,r!==t.ARRAY_BUFFER&&r!==t.ELEMENT_ARRAY_BUFFER)throw new Error(\"gl-buffer: Invalid type for webgl buffer, must be either gl.ARRAY_BUFFER or gl.ELEMENT_ARRAY_BUFFER\");if(i!==t.DYNAMIC_DRAW&&i!==t.STATIC_DRAW&&i!==t.STREAM_DRAW)throw new Error(\"gl-buffer: Invalid usage for buffer, must be either gl.DYNAMIC_DRAW, gl.STATIC_DRAW or gl.STREAM_DRAW\");var o=t.createBuffer(),a=new n(t,r,o,0,i);return a.update(e),a}var l=t(\"typedarray-pool\"),u=t(\"ndarray-ops\"),c=t(\"ndarray\"),h=[\"uint8\",\"uint8_clamped\",\"uint16\",\"uint32\",\"int8\",\"int16\",\"int32\",\"float32\"],f=n.prototype;f.bind=function(){this.gl.bindBuffer(this.type,this.handle)},f.unbind=function(){this.gl.bindBuffer(this.type,null)},f.dispose=function(){this.gl.deleteBuffer(this.handle)},f.update=function(t,e){if(\"number\"!=typeof e&&(e=-1),this.bind(),\"object\"==typeof t&&\"undefined\"!=typeof t.shape){var r=t.dtype;if(h.indexOf(r)<0&&(r=\"float32\"),this.type===this.gl.ELEMENT_ARRAY_BUFFER){var n=gl.getExtension(\"OES_element_index_uint\");r=n&&\"uint16\"!==r?\"uint32\":\"uint16\"}if(r===t.dtype&&a(t.shape,t.stride))0===t.offset&&t.data.length===t.shape[0]?this.length=i(this.gl,this.type,this.length,this.usage,t.data,e):this.length=i(this.gl,this.type,this.length,this.usage,t.data.subarray(t.offset,t.shape[0]),e);else{var s=l.malloc(t.size,r),f=c(s,t.shape);u.assign(f,t),0>e?this.length=i(this.gl,this.type,this.length,this.usage,s,e):this.length=i(this.gl,this.type,this.length,this.usage,s.subarray(0,t.size),e),l.free(s)}}else if(Array.isArray(t)){var d;d=this.type===this.gl.ELEMENT_ARRAY_BUFFER?o(t,\"uint16\"):o(t,\"float32\"),0>e?this.length=i(this.gl,this.type,this.length,this.usage,d,e):this.length=i(this.gl,this.type,this.length,this.usage,d.subarray(0,t.length),e),l.free(d)}else if(\"object\"==typeof t&&\"number\"==typeof t.length)this.length=i(this.gl,this.type,this.length,this.usage,t,e);else{if(\"number\"!=typeof t&&void 0!==t)throw new Error(\"gl-buffer: Invalid data type\");if(e>=0)throw new Error(\"gl-buffer: Cannot specify offset when resizing buffer\");t=0|t,0>=t&&(t=1),this.gl.bufferData(this.type,0|t,this.usage),this.length=t}},e.exports=s},{ndarray:433,\"ndarray-ops\":432,\"typedarray-pool\":458}],125:[function(t,e,r){\"use strict\";function n(t,e,r){this.plot=t,this.shader=e,this.buffer=r,this.bounds=[1/0,1/0,-(1/0),-(1/0)],this.numPoints=0,this.color=[0,0,0,1]}function i(t,e){var r=o(t.gl,l.vertex,l.fragment),i=a(t.gl),s=new n(t,r,i);return s.update(e),t.addObject(s),s}var o=t(\"gl-shader\"),a=t(\"gl-buffer\"),s=t(\"typedarray-pool\"),l=t(\"./lib/shaders\");e.exports=i;var u=[[1,0,0,1,0,0],[1,0,0,-1,0,0],[-1,0,0,-1,0,0],[-1,0,0,-1,0,0],[-1,0,0,1,0,0],[1,0,0,1,0,0],[1,0,-1,0,0,1],[1,0,-1,0,0,-1],[1,0,1,0,0,-1],[1,0,1,0,0,-1],[1,0,1,0,0,1],[1,0,-1,0,0,1],[-1,0,-1,0,0,1],[-1,0,-1,0,0,-1],[-1,0,1,0,0,-1],[-1,0,1,0,0,-1],[-1,0,1,0,0,1],[-1,0,-1,0,0,1],[0,1,1,0,0,0],[0,1,-1,0,0,0],[0,-1,-1,0,0,0],[0,-1,-1,0,0,0],[0,1,1,0,0,0],[0,-1,1,0,0,0],[0,1,0,-1,1,0],[0,1,0,-1,-1,0],[0,1,0,1,-1,0],[0,1,0,1,1,0],[0,1,0,-1,1,0],[0,1,0,1,-1,0],[0,-1,0,-1,1,0],[0,-1,0,-1,-1,0],[0,-1,0,1,-1,0],[0,-1,0,1,1,0],[0,-1,0,-1,1,0],[0,-1,0,1,-1,0]],c=n.prototype;c.draw=function(){var t=[1,0,0,0,1,0,0,0,1],e=[1,1];return function(){var r=this.plot,n=this.shader,i=this.buffer,o=this.bounds,a=this.numPoints;if(a){var s=r.gl,l=r.dataBox,c=r.viewBox,h=r.pixelRatio,f=o[2]-o[0],d=o[3]-o[1],p=l[2]-l[0],v=l[3]-l[1];t[0]=2*f/p,t[4]=2*d/v,t[6]=2*(o[0]-l[0])/p-1,t[7]=2*(o[1]-l[1])/v-1;var m=c[2]-c[0],g=c[3]-c[1];e[0]=2*h/m,e[1]=2*h/g,i.bind(),n.bind(),n.uniforms.viewTransform=t,n.uniforms.pixelScale=e,n.uniforms.color=this.color,n.attributes.position.pointer(s.FLOAT,!1,16,0),n.attributes.pixelOffset.pointer(s.FLOAT,!1,16,8),s.drawArrays(s.TRIANGLES,0,a*u.length)}}}(),c.drawPick=function(t){return t},c.pick=function(t,e){return null},c.update=function(t){t=t||{};var e,r,n,i=t.positions||[],o=t.errors||[],a=1;\"lineWidth\"in t&&(a=+t.lineWidth);var l=5;\"capSize\"in t&&(l=+t.capSize),this.color=(t.color||[0,0,0,1]).slice();var c=this.bounds=[1/0,1/0,-(1/0),-(1/0)],h=this.numPoints=i.length>>1;for(e=0;h>e;++e)r=i[2*e],n=i[2*e+1],c[0]=Math.min(r,c[0]),c[1]=Math.min(n,c[1]),c[2]=Math.max(r,c[2]),c[3]=Math.max(n,c[3]);c[2]===c[0]&&(c[2]+=1),c[3]===c[1]&&(c[3]+=1);var f=1/(c[2]-c[0]),d=1/(c[3]-c[1]),p=c[0],v=c[1],m=s.mallocFloat32(h*u.length*4),g=0;for(e=0;h>e;++e){r=i[2*e],n=i[2*e+1];for(var y=o[4*e],b=o[4*e+1],x=o[4*e+2],_=o[4*e+3],w=0;w<u.length;++w){var M=u[w],k=M[0],A=M[1];0>k?k*=y:k>0&&(k*=b),0>A?A*=x:A>0&&(A*=_),m[g++]=f*(r-p+k),m[g++]=d*(n-v+A),m[g++]=a*M[2]+(l+a)*M[4],m[g++]=a*M[3]+(l+a)*M[5]}}this.buffer.update(m),s.free(m)},c.dispose=function(){this.plot.removeObject(this),this.shader.dispose(),this.buffer.dispose()}},{\"./lib/shaders\":126,\"gl-buffer\":124,\"gl-shader\":203,\"typedarray-pool\":458}],126:[function(t,e,r){e.exports={vertex:\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec2 position;\\nattribute vec2 pixelOffset;\\n\\nuniform mat3 viewTransform;\\nuniform vec2 pixelScale;\\n\\nvoid main() {\\n  vec3 scrPosition = viewTransform * vec3(position, 1);\\n  gl_Position = vec4(\\n    scrPosition.xy + scrPosition.z * pixelScale * pixelOffset,\\n    0,\\n    scrPosition.z);\\n}\\n\",fragment:\"precision mediump float;\\n#define GLSLIFY 1\\n\\nuniform vec4 color;\\n\\nvoid main() {\\n  gl_FragColor = vec4(color.rgb * color.a, color.a);\\n}\\n\"}},{}],127:[function(t,e,r){\"use strict\";function n(t,e,r,n){this.gl=t,this.shader=n,this.buffer=e,this.vao=r,this.pixelRatio=1,this.bounds=[[1/0,1/0,1/0],[-(1/0),-(1/0),-(1/0)]],this.clipBounds=[[-(1/0),-(1/0),-(1/0)],[1/0,1/0,1/0]],this.lineWidth=[1,1,1],this.capSize=[10,10,10],this.lineCount=[0,0,0],this.lineOffset=[0,0,0],this.opacity=1}function i(t,e){for(var r=0;3>r;++r)t[0][r]=Math.min(t[0][r],e[r]),t[1][r]=Math.max(t[1][r],e[r])}function o(t,e,r,n){for(var i=f[n],o=0;o<i.length;++o){var a=i[o];t.push(e[0],e[1],e[2],r[0],r[1],r[2],r[3],a[0],a[1],a[2])}return i.length}function a(t){var e=t.gl,r=s(e),i=l(e,[{buffer:r,type:e.FLOAT,size:3,offset:0,stride:40},{buffer:r,type:e.FLOAT,size:4,offset:12,stride:40},{buffer:r,type:e.FLOAT,size:3,offset:28,stride:40}]),o=u(e);o.attributes.position.location=0,o.attributes.color.location=1,o.attributes.offset.location=2;var a=new n(e,r,i,o);return a.update(t),a}e.exports=a;var s=t(\"gl-buffer\"),l=t(\"gl-vao\"),u=t(\"./shaders/index\"),c=[1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1],h=n.prototype;h.isOpaque=function(){return this.opacity>=1},h.isTransparent=function(){return this.opacity<1},h.drawTransparent=h.draw=function(t){var e=this.gl,r=this.shader.uniforms;this.shader.bind();var n=r.view=t.view||c,i=r.projection=t.projection||c;r.model=t.model||c,r.clipBounds=this.clipBounds,r.opacity=this.opacity;var o=n[12],a=n[13],s=n[14],l=n[15],u=this.pixelRatio*(i[3]*o+i[7]*a+i[11]*s+i[15]*l)/e.drawingBufferHeight;this.vao.bind();for(var h=0;3>h;++h)e.lineWidth(this.lineWidth[h]),r.capSize=this.capSize[h]*u,e.drawArrays(e.LINES,this.lineOffset[h],this.lineCount[h]);this.vao.unbind()};var f=function(){for(var t=new Array(3),e=0;3>e;++e){for(var r=[],n=1;2>=n;++n)for(var i=-1;1>=i;i+=2){var o=(n+e)%3,a=[0,0,0];a[o]=i,r.push(a)}t[e]=r}return t}();h.update=function(t){t=t||{},\"lineWidth\"in t&&(this.lineWidth=t.lineWidth,Array.isArray(this.lineWidth)||(this.lineWidth=[this.lineWidth,this.lineWidth,this.lineWidth])),\"capSize\"in t&&(this.capSize=t.capSize,Array.isArray(this.capSize)||(this.capSize=[this.capSize,this.capSize,this.capSize])),\"opacity\"in t&&(this.opacity=t.opacity);var e=t.color||[[0,0,0],[0,0,0],[0,0,0]],r=t.position,n=t.error;if(Array.isArray(e[0])||(e=[e,e,e]),r&&n){var a=[],s=r.length,l=0;this.bounds=[[1/0,1/0,1/0],[-(1/0),-(1/0),-(1/0)]],this.lineCount=[0,0,0];for(var u=0;3>u;++u){this.lineOffset[u]=l;t:for(var c=0;s>c;++c){for(var h=r[c],f=0;3>f;++f)if(isNaN(h[f])||!isFinite(h[f]))continue t;var d=n[c],p=e[u];if(Array.isArray(p[0])&&(p=e[c]),3===p.length&&(p=[p[0],p[1],p[2],1]),!isNaN(d[0][u])&&!isNaN(d[1][u])){if(d[0][u]<0){var v=h.slice();v[u]+=d[0][u],a.push(h[0],h[1],h[2],p[0],p[1],p[2],p[3],0,0,0,v[0],v[1],v[2],p[0],p[1],p[2],p[3],0,0,0),i(this.bounds,v),l+=2+o(a,v,p,u)}if(d[1][u]>0){var v=h.slice();v[u]+=d[1][u],a.push(h[0],h[1],h[2],p[0],p[1],p[2],p[3],0,0,0,v[0],v[1],v[2],p[0],p[1],p[2],p[3],0,0,0),i(this.bounds,v),l+=2+o(a,v,p,u)}}}this.lineCount[u]=l-this.lineOffset[u]}this.buffer.update(a)}},h.dispose=function(){this.shader.dispose(),this.buffer.dispose(),this.vao.dispose()}},{\"./shaders/index\":128,\"gl-buffer\":124,\"gl-vao\":232}],128:[function(t,e,r){\"use strict\";var n=t(\"gl-shader\"),i=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec3 position, offset;\\nattribute vec4 color;\\nuniform mat4 model, view, projection;\\nuniform float capSize;\\nvarying vec4 fragColor;\\nvarying vec3 fragPosition;\\n\\nvoid main() {\\n  vec4 worldPosition  = model * vec4(position, 1.0);\\n  worldPosition       = (worldPosition / worldPosition.w) + vec4(capSize * offset, 0.0);\\n  gl_Position         = projection * view * worldPosition;\\n  fragColor           = color;\\n  fragPosition        = position;\\n}\",o=\"precision mediump float;\\n#define GLSLIFY 1\\nuniform vec3 clipBounds[2];\\nuniform float opacity;\\nvarying vec3 fragPosition;\\nvarying vec4 fragColor;\\n\\nvoid main() {\\n  if(any(lessThan(fragPosition, clipBounds[0])) || any(greaterThan(fragPosition, clipBounds[1]))) {\\n    discard;\\n  }\\n  gl_FragColor = opacity * fragColor;\\n}\";e.exports=function(t){return n(t,i,o,null,[{name:\"position\",type:\"vec3\"},{name:\"offset\",type:\"vec3\"},{name:\"color\",type:\"vec4\"}])}},{\"gl-shader\":203}],129:[function(t,e,r){\"use strict\";function n(t){var e=t.getParameter(t.FRAMEBUFFER_BINDING),r=t.getParameter(t.RENDERBUFFER_BINDING),n=t.getParameter(t.TEXTURE_BINDING_2D);return[e,r,n]}function i(t,e){t.bindFramebuffer(t.FRAMEBUFFER,e[0]),t.bindRenderbuffer(t.RENDERBUFFER,e[1]),t.bindTexture(t.TEXTURE_2D,e[2])}function o(t,e){var r=t.getParameter(e.MAX_COLOR_ATTACHMENTS_WEBGL);y=new Array(r+1);for(var n=0;r>=n;++n){for(var i=new Array(r),o=0;n>o;++o)i[o]=t.COLOR_ATTACHMENT0+o;for(var o=n;r>o;++o)i[o]=t.NONE;y[n]=i}}function a(t){switch(t){case p:throw new Error(\"gl-fbo: Framebuffer unsupported\");case v:throw new Error(\"gl-fbo: Framebuffer incomplete attachment\");case m:throw new Error(\"gl-fbo: Framebuffer incomplete dimensions\");case g:throw new Error(\"gl-fbo: Framebuffer incomplete missing attachment\");default:throw new Error(\"gl-fbo: Framebuffer failed for unspecified reason\")}}function s(t,e,r,n,i,o){if(!n)return null;var a=d(t,e,r,i,n);return a.magFilter=t.NEAREST,a.minFilter=t.NEAREST,a.mipSamples=1,a.bind(),t.framebufferTexture2D(t.FRAMEBUFFER,o,t.TEXTURE_2D,a.handle,0),a}function l(t,e,r,n,i){var o=t.createRenderbuffer();return t.bindRenderbuffer(t.RENDERBUFFER,o),t.renderbufferStorage(t.RENDERBUFFER,n,e,r),t.framebufferRenderbuffer(t.FRAMEBUFFER,i,t.RENDERBUFFER,o),o}function u(t){var e=n(t.gl),r=t.gl,o=t.handle=r.createFramebuffer(),u=t._shape[0],c=t._shape[1],h=t.color.length,f=t._ext,d=t._useStencil,p=t._useDepth,v=t._colorType;r.bindFramebuffer(r.FRAMEBUFFER,o);for(var m=0;h>m;++m)t.color[m]=s(r,u,c,v,r.RGBA,r.COLOR_ATTACHMENT0+m);0===h?(t._color_rb=l(r,u,c,r.RGBA4,r.COLOR_ATTACHMENT0),f&&f.drawBuffersWEBGL(y[0])):h>1&&f.drawBuffersWEBGL(y[h]);var g=r.getExtension(\"WEBGL_depth_texture\");g?d?t.depth=s(r,u,c,g.UNSIGNED_INT_24_8_WEBGL,r.DEPTH_STENCIL,r.DEPTH_STENCIL_ATTACHMENT):p&&(t.depth=s(r,u,c,r.UNSIGNED_SHORT,r.DEPTH_COMPONENT,r.DEPTH_ATTACHMENT)):p&&d?t._depth_rb=l(r,u,c,r.DEPTH_STENCIL,r.DEPTH_STENCIL_ATTACHMENT):p?t._depth_rb=l(r,u,c,r.DEPTH_COMPONENT16,r.DEPTH_ATTACHMENT):d&&(t._depth_rb=l(r,u,c,r.STENCIL_INDEX,r.STENCIL_ATTACHMENT));var b=r.checkFramebufferStatus(r.FRAMEBUFFER);if(b!==r.FRAMEBUFFER_COMPLETE){t._destroyed=!0,r.bindFramebuffer(r.FRAMEBUFFER,null),r.deleteFramebuffer(t.handle),t.handle=null,t.depth&&(t.depth.dispose(),t.depth=null),t._depth_rb&&(r.deleteRenderbuffer(t._depth_rb),t._depth_rb=null);for(var m=0;m<t.color.length;++m)t.color[m].dispose(),t.color[m]=null;t._color_rb&&(r.deleteRenderbuffer(t._color_rb),t._color_rb=null),i(r,e),a(b)}i(r,e)}function c(t,e,r,n,i,o,a,s){this.gl=t,this._shape=[0|e,0|r],this._destroyed=!1,this._ext=s,this.color=new Array(i);for(var l=0;i>l;++l)this.color[l]=null;this._color_rb=null,this.depth=null,this._depth_rb=null,this._colorType=n,this._useDepth=o,this._useStencil=a;var c=this,h=[0|e,0|r];Object.defineProperties(h,{0:{get:function(){return c._shape[0]},set:function(t){return c.width=t}},1:{get:function(){return c._shape[1]},set:function(t){return c.height=t}}}),this._shapeVector=h,u(this)}function h(t,e,r){if(t._destroyed)throw new Error(\"gl-fbo: Can't resize destroyed FBO\");if(t._shape[0]!==e||t._shape[1]!==r){var o=t.gl,s=o.getParameter(o.MAX_RENDERBUFFER_SIZE);if(0>e||e>s||0>r||r>s)throw new Error(\"gl-fbo: Can't resize FBO, invalid dimensions\");t._shape[0]=e,t._shape[1]=r;for(var l=n(o),u=0;u<t.color.length;++u)t.color[u].shape=t._shape;t._color_rb&&(o.bindRenderbuffer(o.RENDERBUFFER,t._color_rb),o.renderbufferStorage(o.RENDERBUFFER,o.RGBA4,t._shape[0],t._shape[1])),t.depth&&(t.depth.shape=t._shape),t._depth_rb&&(o.bindRenderbuffer(o.RENDERBUFFER,t._depth_rb),t._useDepth&&t._useStencil?o.renderbufferStorage(o.RENDERBUFFER,o.DEPTH_STENCIL,t._shape[0],t._shape[1]):t._useDepth?o.renderbufferStorage(o.RENDERBUFFER,o.DEPTH_COMPONENT16,t._shape[0],t._shape[1]):t._useStencil&&o.renderbufferStorage(o.RENDERBUFFER,o.STENCIL_INDEX,t._shape[0],t._shape[1])),o.bindFramebuffer(o.FRAMEBUFFER,t.handle);var c=o.checkFramebufferStatus(o.FRAMEBUFFER);c!==o.FRAMEBUFFER_COMPLETE&&(t.dispose(),i(o,l),a(c)),i(o,l)}}function f(t,e,r,n){p||(p=t.FRAMEBUFFER_UNSUPPORTED,v=t.FRAMEBUFFER_INCOMPLETE_ATTACHMENT,m=t.FRAMEBUFFER_INCOMPLETE_DIMENSIONS,g=t.FRAMEBUFFER_INCOMPLETE_MISSING_ATTACHMENT);var i=t.getExtension(\"WEBGL_draw_buffers\");if(!y&&i&&o(t,i),Array.isArray(e)&&(n=r,r=0|e[1],e=0|e[0]),\"number\"!=typeof e)throw new Error(\"gl-fbo: Missing shape parameter\");var a=t.getParameter(t.MAX_RENDERBUFFER_SIZE);if(0>e||e>a||0>r||r>a)throw new Error(\"gl-fbo: Parameters are too large for FBO\");n=n||{};var s=1;if(\"color\"in n){if(s=Math.max(0|n.color,0),0>s)throw new Error(\"gl-fbo: Must specify a nonnegative number of colors\");if(s>1){if(!i)throw new Error(\"gl-fbo: Multiple draw buffer extension not supported\");if(s>t.getParameter(i.MAX_COLOR_ATTACHMENTS_WEBGL))throw new Error(\"gl-fbo: Context does not support \"+s+\" draw buffers\")}}var l=t.UNSIGNED_BYTE,u=t.getExtension(\"OES_texture_float\");if(n.float&&s>0){if(!u)throw new Error(\"gl-fbo: Context does not support floating point textures\");l=t.FLOAT}else n.preferFloat&&s>0&&u&&(l=t.FLOAT);var h=!0;\"depth\"in n&&(h=!!n.depth);var f=!1;return\"stencil\"in n&&(f=!!n.stencil),new c(t,e,r,l,s,h,f,i)}var d=t(\"gl-texture2d\");e.exports=f;var p,v,m,g,y=null,b=c.prototype;Object.defineProperties(b,{shape:{get:function(){return this._destroyed?[0,0]:this._shapeVector},set:function(t){if(Array.isArray(t)||(t=[0|t,0|t]),2!==t.length)throw new Error(\"gl-fbo: Shape vector must be length 2\");var e=0|t[0],r=0|t[1];return h(this,e,r),[e,r]},enumerable:!1},width:{get:function(){return this._destroyed?0:this._shape[0]},set:function(t){return t=0|t,h(this,t,this._shape[1]),t},enumerable:!1},height:{get:function(){return this._destroyed?0:this._shape[1]},set:function(t){return t=0|t,h(this,this._shape[0],t),t},enumerable:!1}}),b.bind=function(){if(!this._destroyed){var t=this.gl;t.bindFramebuffer(t.FRAMEBUFFER,this.handle),t.viewport(0,0,this._shape[0],this._shape[1])}},b.dispose=function(){if(!this._destroyed){this._destroyed=!0;var t=this.gl;t.deleteFramebuffer(this.handle),this.handle=null,this.depth&&(this.depth.dispose(),this.depth=null),this._depth_rb&&(t.deleteRenderbuffer(this._depth_rb),this._depth_rb=null);for(var e=0;e<this.color.length;++e)this.color[e].dispose(),this.color[e]=null;this._color_rb&&(t.deleteRenderbuffer(this._color_rb),this._color_rb=null)}}},{\"gl-texture2d\":228}],130:[function(t,e,r){r.lineVertex=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nfloat inverse_1_0(float m) {\\n  return 1.0 / m;\\n}\\n\\nmat2 inverse_1_0(mat2 m) {\\n  return mat2(m[1][1],-m[0][1],\\n             -m[1][0], m[0][0]) / (m[0][0]*m[1][1] - m[0][1]*m[1][0]);\\n}\\n\\nmat3 inverse_1_0(mat3 m) {\\n  float a00 = m[0][0], a01 = m[0][1], a02 = m[0][2];\\n  float a10 = m[1][0], a11 = m[1][1], a12 = m[1][2];\\n  float a20 = m[2][0], a21 = m[2][1], a22 = m[2][2];\\n\\n  float b01 = a22 * a11 - a12 * a21;\\n  float b11 = -a22 * a10 + a12 * a20;\\n  float b21 = a21 * a10 - a11 * a20;\\n\\n  float det = a00 * b01 + a01 * b11 + a02 * b21;\\n\\n  return mat3(b01, (-a22 * a01 + a02 * a21), (a12 * a01 - a02 * a11),\\n              b11, (a22 * a00 - a02 * a20), (-a12 * a00 + a02 * a10),\\n              b21, (-a21 * a00 + a01 * a20), (a11 * a00 - a01 * a10)) / det;\\n}\\n\\nmat4 inverse_1_0(mat4 m) {\\n  float\\n      a00 = m[0][0], a01 = m[0][1], a02 = m[0][2], a03 = m[0][3],\\n      a10 = m[1][0], a11 = m[1][1], a12 = m[1][2], a13 = m[1][3],\\n      a20 = m[2][0], a21 = m[2][1], a22 = m[2][2], a23 = m[2][3],\\n      a30 = m[3][0], a31 = m[3][1], a32 = m[3][2], a33 = m[3][3],\\n\\n      b00 = a00 * a11 - a01 * a10,\\n      b01 = a00 * a12 - a02 * a10,\\n      b02 = a00 * a13 - a03 * a10,\\n      b03 = a01 * a12 - a02 * a11,\\n      b04 = a01 * a13 - a03 * a11,\\n      b05 = a02 * a13 - a03 * a12,\\n      b06 = a20 * a31 - a21 * a30,\\n      b07 = a20 * a32 - a22 * a30,\\n      b08 = a20 * a33 - a23 * a30,\\n      b09 = a21 * a32 - a22 * a31,\\n      b10 = a21 * a33 - a23 * a31,\\n      b11 = a22 * a33 - a23 * a32,\\n\\n      det = b00 * b11 - b01 * b10 + b02 * b09 + b03 * b08 - b04 * b07 + b05 * b06;\\n\\n  return mat4(\\n      a11 * b11 - a12 * b10 + a13 * b09,\\n      a02 * b10 - a01 * b11 - a03 * b09,\\n      a31 * b05 - a32 * b04 + a33 * b03,\\n      a22 * b04 - a21 * b05 - a23 * b03,\\n      a12 * b08 - a10 * b11 - a13 * b07,\\n      a00 * b11 - a02 * b08 + a03 * b07,\\n      a32 * b02 - a30 * b05 - a33 * b01,\\n      a20 * b05 - a22 * b02 + a23 * b01,\\n      a10 * b10 - a11 * b08 + a13 * b06,\\n      a01 * b08 - a00 * b10 - a03 * b06,\\n      a30 * b04 - a31 * b02 + a33 * b00,\\n      a21 * b02 - a20 * b04 - a23 * b00,\\n      a11 * b07 - a10 * b09 - a12 * b06,\\n      a00 * b09 - a01 * b07 + a02 * b06,\\n      a31 * b01 - a30 * b03 - a32 * b00,\\n      a20 * b03 - a21 * b01 + a22 * b00) / det;\\n}\\n\\n\\n\\nattribute vec2 a, d;\\n\\nuniform mat3 matrix;\\nuniform vec2 screenShape;\\nuniform float width;\\n\\nvarying vec2 direction;\\n\\nvoid main() {\\n  vec2 dir = (matrix * vec3(d, 0)).xy;\\n  vec3 base = matrix * vec3(a, 1);\\n  vec2 n = 0.5 * width *\\n    normalize(screenShape.yx * vec2(dir.y, -dir.x)) / screenShape.xy;\\n  vec2 tangent = normalize(screenShape.xy * dir);\\n  if(dir.x < 0.0 || (dir.x == 0.0 && dir.y < 0.0)) {\\n    direction = -tangent;\\n  } else {\\n    direction = tangent;\\n  }\\n  gl_Position = vec4(base.xy/base.z + n, 0, 1);\\n}\\n\",r.lineFragment=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nuniform vec4 color;\\nuniform vec2 screenShape;\\nuniform sampler2D dashPattern;\\nuniform float dashLength;\\n\\nvarying vec2 direction;\\n\\nvoid main() {\\n  float t = fract(dot(direction, gl_FragCoord.xy) / dashLength);\\n  vec4 pcolor = color * texture2D(dashPattern, vec2(t, 0.0)).r;\\n  gl_FragColor = vec4(pcolor.rgb * pcolor.a, pcolor.a);\\n}\\n\",r.mitreVertex=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec2 p;\\n\\nuniform mat3  matrix;\\nuniform vec2 screenShape;\\nuniform float radius;\\n\\nvoid main() {\\n  vec3 pp = matrix * vec3(p, 1);\\n  gl_Position  = vec4(pp.xy, 0, pp.z);\\n  gl_PointSize = radius;\\n}\\n\",r.mitreFragment=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nuniform vec4 color;\\n\\nvoid main() {\\n  if(length(gl_PointCoord.xy - 0.5) > 0.25) {\\n    discard;\\n  }\\n  gl_FragColor = vec4(color.rgb, color.a);\\n}\\n\",r.pickVertex=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec2 a, d;\\nattribute vec4 pick0, pick1;\\n\\nuniform mat3 matrix;\\nuniform vec2 screenShape;\\nuniform float width;\\n\\nvarying vec4 pickA, pickB;\\n\\nfloat inverse_1_0(float m) {\\n  return 1.0 / m;\\n}\\n\\nmat2 inverse_1_0(mat2 m) {\\n  return mat2(m[1][1],-m[0][1],\\n             -m[1][0], m[0][0]) / (m[0][0]*m[1][1] - m[0][1]*m[1][0]);\\n}\\n\\nmat3 inverse_1_0(mat3 m) {\\n  float a00 = m[0][0], a01 = m[0][1], a02 = m[0][2];\\n  float a10 = m[1][0], a11 = m[1][1], a12 = m[1][2];\\n  float a20 = m[2][0], a21 = m[2][1], a22 = m[2][2];\\n\\n  float b01 = a22 * a11 - a12 * a21;\\n  float b11 = -a22 * a10 + a12 * a20;\\n  float b21 = a21 * a10 - a11 * a20;\\n\\n  float det = a00 * b01 + a01 * b11 + a02 * b21;\\n\\n  return mat3(b01, (-a22 * a01 + a02 * a21), (a12 * a01 - a02 * a11),\\n              b11, (a22 * a00 - a02 * a20), (-a12 * a00 + a02 * a10),\\n              b21, (-a21 * a00 + a01 * a20), (a11 * a00 - a01 * a10)) / det;\\n}\\n\\nmat4 inverse_1_0(mat4 m) {\\n  float\\n      a00 = m[0][0], a01 = m[0][1], a02 = m[0][2], a03 = m[0][3],\\n      a10 = m[1][0], a11 = m[1][1], a12 = m[1][2], a13 = m[1][3],\\n      a20 = m[2][0], a21 = m[2][1], a22 = m[2][2], a23 = m[2][3],\\n      a30 = m[3][0], a31 = m[3][1], a32 = m[3][2], a33 = m[3][3],\\n\\n      b00 = a00 * a11 - a01 * a10,\\n      b01 = a00 * a12 - a02 * a10,\\n      b02 = a00 * a13 - a03 * a10,\\n      b03 = a01 * a12 - a02 * a11,\\n      b04 = a01 * a13 - a03 * a11,\\n      b05 = a02 * a13 - a03 * a12,\\n      b06 = a20 * a31 - a21 * a30,\\n      b07 = a20 * a32 - a22 * a30,\\n      b08 = a20 * a33 - a23 * a30,\\n      b09 = a21 * a32 - a22 * a31,\\n      b10 = a21 * a33 - a23 * a31,\\n      b11 = a22 * a33 - a23 * a32,\\n\\n      det = b00 * b11 - b01 * b10 + b02 * b09 + b03 * b08 - b04 * b07 + b05 * b06;\\n\\n  return mat4(\\n      a11 * b11 - a12 * b10 + a13 * b09,\\n      a02 * b10 - a01 * b11 - a03 * b09,\\n      a31 * b05 - a32 * b04 + a33 * b03,\\n      a22 * b04 - a21 * b05 - a23 * b03,\\n      a12 * b08 - a10 * b11 - a13 * b07,\\n      a00 * b11 - a02 * b08 + a03 * b07,\\n      a32 * b02 - a30 * b05 - a33 * b01,\\n      a20 * b05 - a22 * b02 + a23 * b01,\\n      a10 * b10 - a11 * b08 + a13 * b06,\\n      a01 * b08 - a00 * b10 - a03 * b06,\\n      a30 * b04 - a31 * b02 + a33 * b00,\\n      a21 * b02 - a20 * b04 - a23 * b00,\\n      a11 * b07 - a10 * b09 - a12 * b06,\\n      a00 * b09 - a01 * b07 + a02 * b06,\\n      a31 * b01 - a30 * b03 - a32 * b00,\\n      a20 * b03 - a21 * b01 + a22 * b00) / det;\\n}\\n\\n\\n\\nvoid main() {\\n  vec3 base = matrix * vec3(a, 1);\\n  vec2 n = width *\\n    normalize(screenShape.yx * vec2(d.y, -d.x)) / screenShape.xy;\\n  gl_Position = vec4(base.xy/base.z + n, 0, 1);\\n  pickA = pick0;\\n  pickB = pick1;\\n}\\n\",r.pickFragment=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nuniform vec4 pickOffset;\\n\\nvarying vec4 pickA, pickB;\\n\\nvoid main() {\\n  vec4 fragId = vec4(pickA.xyz, 0.0);\\n  if(pickB.w > pickA.w) {\\n    fragId.xyz = pickB.xyz;\\n  }\\n\\n  fragId += pickOffset;\\n\\n  fragId.y += floor(fragId.x / 256.0);\\n  fragId.x -= floor(fragId.x / 256.0) * 256.0;\\n\\n  fragId.z += floor(fragId.y / 256.0);\\n  fragId.y -= floor(fragId.y / 256.0) * 256.0;\\n\\n  fragId.w += floor(fragId.z / 256.0);\\n  fragId.z -= floor(fragId.z / 256.0) * 256.0;\\n\\n  gl_FragColor = fragId / 255.0;\\n}\\n\",r.fillVertex=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec2 a, d;\\n\\nuniform mat3 matrix;\\nuniform vec2 projectAxis;\\nuniform float projectValue;\\nuniform float depth;\\n\\nvoid main() {\\n  vec3 base = matrix * vec3(a, 1);\\n  vec2 p = base.xy / base.z;\\n  if(d.y < 0.0 || (d.y == 0.0 && d.x < 0.0)) {\\n    if(dot(p, projectAxis) < projectValue) {\\n      p = p * (1.0 - abs(projectAxis)) + projectAxis * projectValue;\\n    }\\n  }\\n  gl_Position = vec4(p, depth, 1);\\n}\\n\",r.fillFragment=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nuniform vec4 color;\\n\\nvoid main() {\\n  gl_FragColor = vec4(color.rgb * color.a, color.a);\\n}\\n\";\n},{}],131:[function(t,e,r){\"use strict\";function n(t,e,r,n,i,o,a,s){this.plot=t,this.dashPattern=e,this.lineBuffer=r,this.pickBuffer=n,this.lineShader=i,this.mitreShader=o,this.fillShader=a,this.pickShader=s,this.usingDashes=!1,this.bounds=[1/0,1/0,-(1/0),-(1/0)],this.width=1,this.color=[0,0,1,1],this.fill=[!1,!1,!1,!1],this.fillColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.data=null,this.numPoints=0,this.vertCount=0,this.pickOffset=0,this.lodBuffer=[]}function i(t){return t.map(function(t){return t.slice()})}function o(t,e){var r=t.gl,i=s(r),o=s(r),u=l(r,[1,1]),c=a(r,h.lineVertex,h.lineFragment),f=a(r,h.mitreVertex,h.mitreFragment),d=a(r,h.fillVertex,h.fillFragment),p=a(r,h.pickVertex,h.pickFragment),v=new n(t,u,i,o,c,f,d,p);return t.addObject(v),v.update(e),v}e.exports=o;var a=t(\"gl-shader\"),s=t(\"gl-buffer\"),l=t(\"gl-texture2d\"),u=t(\"ndarray\"),c=t(\"typedarray-pool\"),h=t(\"./lib/shaders\"),f=n.prototype;f.draw=function(){var t=[1,0,0,0,1,0,0,0,1],e=[0,0],r=[1,0],n=[-1,0],i=[0,1],o=[0,-1];return function(){var a=this.plot,s=this.color,l=this.width,u=(this.numPoints,this.bounds),c=this.vertCount;if(c){var h=a.gl,f=a.viewBox,d=a.dataBox,p=a.pixelRatio,v=u[2]-u[0],m=u[3]-u[1],g=d[2]-d[0],y=d[3]-d[1],b=f[2]-f[0],x=f[3]-f[1];t[0]=2*v/g,t[4]=2*m/y,t[6]=2*(u[0]-d[0])/g-1,t[7]=2*(u[1]-d[1])/y-1,e[0]=b,e[1]=x;var _=this.lineBuffer;_.bind();var w=this.fill;if(w[0]||w[1]||w[2]||w[3]){var M=this.fillShader;M.bind();var k=M.uniforms;k.matrix=t,k.depth=a.nextDepthValue();var A=M.attributes;A.a.pointer(h.FLOAT,!1,16,0),A.d.pointer(h.FLOAT,!1,16,8),h.depthMask(!0),h.enable(h.DEPTH_TEST);var T=this.fillColor;w[0]&&(k.color=T[0],k.projectAxis=n,k.projectValue=1,h.drawArrays(h.TRIANGLES,0,c)),w[1]&&(k.color=T[1],k.projectAxis=o,k.projectValue=1,h.drawArrays(h.TRIANGLES,0,c)),w[2]&&(k.color=T[2],k.projectAxis=r,k.projectValue=1,h.drawArrays(h.TRIANGLES,0,c)),w[3]&&(k.color=T[3],k.projectAxis=i,k.projectValue=1,h.drawArrays(h.TRIANGLES,0,c)),h.depthMask(!1),h.disable(h.DEPTH_TEST)}var E=this.lineShader;E.bind();var S=E.uniforms;S.matrix=t,S.color=s,S.width=l*p,S.screenShape=e,S.dashPattern=this.dashPattern.bind(),S.dashLength=this.dashLength*p;var L=E.attributes;if(L.a.pointer(h.FLOAT,!1,16,0),L.d.pointer(h.FLOAT,!1,16,8),h.drawArrays(h.TRIANGLES,0,c),l>2&&!this.usingDashes){var z=this.mitreShader;z.bind();var I=z.uniforms;I.matrix=t,I.color=s,I.screenShape=e,I.radius=l*p,z.attributes.p.pointer(h.FLOAT,!1,48,0),h.drawArrays(h.POINTS,0,c/3|0)}}}}(),f.drawPick=function(){var t=[1,0,0,0,1,0,0,0,1],e=[0,0],r=[0,0,0,0];return function(n){var i=this.plot,o=this.pickShader,a=this.lineBuffer,s=this.pickBuffer,l=this.width,u=this.numPoints,c=this.bounds,h=this.vertCount,f=i.gl,d=i.viewBox,p=i.dataBox,v=i.pickPixelRatio,m=c[2]-c[0],g=c[3]-c[1],y=p[2]-p[0],b=p[3]-p[1],x=d[2]-d[0],_=d[3]-d[1];if(this.pickOffset=n,!h)return n+u;t[0]=2*m/y,t[4]=2*g/b,t[6]=2*(c[0]-p[0])/y-1,t[7]=2*(c[1]-p[1])/b-1,e[0]=x,e[1]=_,r[0]=255&n,r[1]=n>>>8&255,r[2]=n>>>16&255,r[3]=n>>>24,o.bind();var w=o.uniforms;w.matrix=t,w.width=l*v,w.pickOffset=r,w.screenShape=e;var M=o.attributes;return a.bind(),M.a.pointer(f.FLOAT,!1,16,0),M.d.pointer(f.FLOAT,!1,16,8),s.bind(),M.pick0.pointer(f.UNSIGNED_BYTE,!1,8,0),M.pick1.pointer(f.UNSIGNED_BYTE,!1,8,4),f.drawArrays(f.TRIANGLES,0,h),n+u}}(),f.pick=function(t,e,r){var n=this.pickOffset,i=this.numPoints;if(n>r||r>=n+i)return null;var o=r-n,a=this.data;return{object:this,pointId:o,dataCoord:[a[2*o],a[2*o+1]]}},f.update=function(t){t=t||{};var e=this.plot.gl;!!t.connectGaps;this.color=(t.color||[0,0,1,1]).slice(),this.width=+(t.width||1),this.fill=(t.fill||[!1,!1,!1,!1]).slice(),this.fillColor=i(t.fillColor||[[0,0,0,1],[0,0,0,1],[0,0,0,1],[0,0,0,1]]);for(var r=t.dashes||[1],n=0,o=0;o<r.length;++o)n+=r[o];for(var a=c.mallocUint8(n),s=0,h=255,o=0;o<r.length;++o){for(var f=0;f<r[o];++f)a[s++]=h;h^=255}this.dashPattern.dispose(),this.usingDashes=r.length>1,this.dashPattern=l(e,u(a,[n,1,4],[1,0,0])),this.dashPattern.minFilter=e.NEAREST,this.dashPattern.magFilter=e.NEAREST,this.dashLength=n,c.free(a);var d=t.positions;this.data=d;var p=this.bounds;p[0]=p[1]=1/0,p[2]=p[3]=-(1/0);var v=this.numPoints=d.length>>>1;if(0!==v){for(var o=0;v>o;++o){var m=d[2*o],g=d[2*o+1];isNaN(m)||isNaN(g)||(p[0]=Math.min(p[0],m),p[1]=Math.min(p[1],g),p[2]=Math.max(p[2],m),p[3]=Math.max(p[3],g))}p[0]===p[2]&&(p[2]+=1),p[3]===p[1]&&(p[3]+=1);for(var y=c.mallocFloat32(24*(v-1)),b=c.mallocUint32(12*(v-1)),x=y.length,_=b.length,s=v,w=0;s>1;){var M=--s,m=d[2*s],g=d[2*s+1],k=M-1,A=d[2*k],T=d[2*k+1];if(!(isNaN(m)||isNaN(g)||isNaN(A)||isNaN(T))){w+=1,m=(m-p[0])/(p[2]-p[0]),g=(g-p[1])/(p[3]-p[1]),A=(A-p[0])/(p[2]-p[0]),T=(T-p[1])/(p[3]-p[1]);var E=A-m,S=T-g,L=M|1<<24,z=M-1,I=M,P=M-1|1<<24;y[--x]=-S,y[--x]=-E,y[--x]=g,y[--x]=m,b[--_]=L,b[--_]=z,y[--x]=S,y[--x]=E,y[--x]=T,y[--x]=A,b[--_]=I,b[--_]=P,y[--x]=-S,y[--x]=-E,y[--x]=T,y[--x]=A,b[--_]=I,b[--_]=P,y[--x]=S,y[--x]=E,y[--x]=T,y[--x]=A,b[--_]=I,b[--_]=P,y[--x]=-S,y[--x]=-E,y[--x]=g,y[--x]=m,b[--_]=L,b[--_]=z,y[--x]=S,y[--x]=E,y[--x]=g,y[--x]=m,b[--_]=L,b[--_]=z}}this.vertCount=6*w,this.lineBuffer.update(y.subarray(x)),this.pickBuffer.update(b.subarray(_)),c.free(y),c.free(b)}},f.dispose=function(){this.plot.removeObject(this),this.lineBuffer.dispose(),this.pickBuffer.dispose(),this.lineShader.dispose(),this.mitreShader.dispose(),this.fillShader.dispose(),this.pickShader.dispose(),this.dashPattern.dispose()}},{\"./lib/shaders\":130,\"gl-buffer\":124,\"gl-shader\":203,\"gl-texture2d\":228,ndarray:433,\"typedarray-pool\":458}],132:[function(t,e,r){var n=t(\"gl-shader\"),i=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec3 position, nextPosition;\\nattribute float arcLength, lineWidth;\\nattribute vec4 color;\\n\\nuniform vec2 screenShape;\\nuniform float pixelRatio;\\nuniform mat4 model, view, projection;\\n\\nvarying vec4 fragColor;\\nvarying vec3 worldPosition;\\nvarying float pixelArcLength;\\n\\nvoid main() {\\n  vec4 projected = projection * view * model * vec4(position, 1.0);\\n  vec4 tangentClip = projection * view * model * vec4(nextPosition - position, 0.0);\\n  vec2 tangent = normalize(screenShape * tangentClip.xy);\\n  vec2 offset = 0.5 * pixelRatio * lineWidth * vec2(tangent.y, -tangent.x) / screenShape;\\n\\n  gl_Position = vec4(projected.xy + projected.w * offset, projected.zw);\\n\\n  worldPosition = position;\\n  pixelArcLength = arcLength;\\n  fragColor = color;\\n}\\n\",o=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nuniform vec3      clipBounds[2];\\nuniform sampler2D dashTexture;\\nuniform float     dashScale;\\nuniform float     opacity;\\n\\nvarying vec3    worldPosition;\\nvarying float   pixelArcLength;\\nvarying vec4    fragColor;\\n\\nvoid main() {\\n  if(any(lessThan(worldPosition, clipBounds[0])) || any(greaterThan(worldPosition, clipBounds[1]))) {\\n    discard;\\n  }\\n  float dashWeight = texture2D(dashTexture, vec2(dashScale * pixelArcLength, 0)).r;\\n  if(dashWeight < 0.5) {\\n    discard;\\n  }\\n  gl_FragColor = fragColor * opacity;\\n}\\n\",a=\"precision mediump float;\\n#define GLSLIFY 1\\n\\n#define FLOAT_MAX  1.70141184e38\\n#define FLOAT_MIN  1.17549435e-38\\n\\nlowp vec4 encode_float_1_0(highp float v) {\\n  highp float av = abs(v);\\n\\n  //Handle special cases\\n  if(av < FLOAT_MIN) {\\n    return vec4(0.0, 0.0, 0.0, 0.0);\\n  } else if(v > FLOAT_MAX) {\\n    return vec4(127.0, 128.0, 0.0, 0.0) / 255.0;\\n  } else if(v < -FLOAT_MAX) {\\n    return vec4(255.0, 128.0, 0.0, 0.0) / 255.0;\\n  }\\n\\n  highp vec4 c = vec4(0,0,0,0);\\n\\n  //Compute exponent and mantissa\\n  highp float e = floor(log2(av));\\n  highp float m = av * pow(2.0, -e) - 1.0;\\n  \\n  //Unpack mantissa\\n  c[1] = floor(128.0 * m);\\n  m -= c[1] / 128.0;\\n  c[2] = floor(32768.0 * m);\\n  m -= c[2] / 32768.0;\\n  c[3] = floor(8388608.0 * m);\\n  \\n  //Unpack exponent\\n  highp float ebias = e + 127.0;\\n  c[0] = floor(ebias / 2.0);\\n  ebias -= c[0] * 2.0;\\n  c[1] += floor(ebias) * 128.0; \\n\\n  //Unpack sign bit\\n  c[0] += 128.0 * step(0.0, -v);\\n\\n  //Scale back to range\\n  return c / 255.0;\\n}\\n\\n\\n\\nuniform float pickId;\\nuniform vec3 clipBounds[2];\\n\\nvarying vec3 worldPosition;\\nvarying float pixelArcLength;\\nvarying vec4 fragColor;\\n\\nvoid main() {\\n  if(any(lessThan(worldPosition, clipBounds[0])) || any(greaterThan(worldPosition, clipBounds[1]))) {\\n    discard;\\n  }\\n  gl_FragColor = vec4(pickId/255.0, encode_float_1_0(pixelArcLength).xyz);\\n}\",s=[{name:\"position\",type:\"vec3\"},{name:\"nextPosition\",type:\"vec3\"},{name:\"arcLength\",type:\"float\"},{name:\"lineWidth\",type:\"float\"},{name:\"color\",type:\"vec4\"}];r.createShader=function(t){return n(t,i,o,null,s)},r.createPickShader=function(t){return n(t,i,a,null,s)}},{\"gl-shader\":203}],133:[function(t,e,r){\"use strict\";function n(t,e){for(var r=0,n=0;3>n;++n){var i=t[n]-e[n];r+=i*i}return Math.sqrt(r)}function i(t){for(var e=[[-1e6,-1e6,-1e6],[1e6,1e6,1e6]],r=0;3>r;++r)e[0][r]=Math.max(t[0][r],e[0][r]),e[1][r]=Math.min(t[1][r],e[1][r]);return e}function o(t,e,r,n){this.arcLength=t,this.position=e,this.index=r,this.dataCoordinate=n}function a(t,e,r,n,i,o){this.gl=t,this.shader=e,this.pickShader=r,this.buffer=n,this.vao=i,this.clipBounds=[[-(1/0),-(1/0),-(1/0)],[1/0,1/0,1/0]],this.points=[],this.arcLength=[],this.vertexCount=0,this.bounds=[[0,0,0],[0,0,0]],this.pickId=0,this.lineWidth=1,this.texture=o,this.dashScale=1,this.opacity=1,this.dirty=!0,this.pixelRatio=1}function s(t){var e=t.gl||t.scene&&t.scene.gl,r=v(e);r.attributes.position.location=0,r.attributes.nextPosition.location=1,r.attributes.arcLength.location=2,r.attributes.lineWidth.location=3,r.attributes.color.location=4;var n=m(e);n.attributes.position.location=0,n.attributes.nextPosition.location=1,n.attributes.arcLength.location=2,n.attributes.lineWidth.location=3,n.attributes.color.location=4;for(var i=l(e),o=u(e,[{buffer:i,size:3,offset:0,stride:48},{buffer:i,size:3,offset:12,stride:48},{buffer:i,size:1,offset:24,stride:48},{buffer:i,size:1,offset:28,stride:48},{buffer:i,size:4,offset:32,stride:48}]),s=d(new Array(1024),[256,1,4]),h=0;1024>h;++h)s.data[h]=255;var f=c(e,s);f.wrap=e.REPEAT;var p=new a(e,r,n,i,o,f);return p.update(t),p}e.exports=s;var l=t(\"gl-buffer\"),u=t(\"gl-vao\"),c=t(\"gl-texture2d\"),h=t(\"glsl-read-float\"),f=t(\"binary-search-bounds\"),d=t(\"ndarray\"),p=t(\"./lib/shaders\"),v=p.createShader,m=p.createPickShader,g=[1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1],y=a.prototype;y.isTransparent=function(){return this.opacity<1},y.isOpaque=function(){return this.opacity>=1},y.pickSlots=1,y.setPickBase=function(t){this.pickId=t},y.drawTransparent=y.draw=function(t){var e=this.gl,r=this.shader,n=this.vao;r.bind(),r.uniforms={model:t.model||g,view:t.view||g,projection:t.projection||g,clipBounds:i(this.clipBounds),dashTexture:this.texture.bind(),dashScale:this.dashScale/this.arcLength[this.arcLength.length-1],opacity:this.opacity,screenShape:[e.drawingBufferWidth,e.drawingBufferHeight],pixelRatio:this.pixelRatio},n.bind(),n.draw(e.TRIANGLE_STRIP,this.vertexCount)},y.drawPick=function(t){var e=this.gl,r=this.pickShader,n=this.vao;r.bind(),r.uniforms={model:t.model||g,view:t.view||g,projection:t.projection||g,pickId:this.pickId,clipBounds:i(this.clipBounds),screenShape:[e.drawingBufferWidth,e.drawingBufferHeight],pixelRatio:this.pixelRatio},n.bind(),n.draw(e.TRIANGLE_STRIP,this.vertexCount)},y.update=function(t){var e,r;this.dirty=!0;var i=!!t.connectGaps;\"dashScale\"in t&&(this.dashScale=t.dashScale),\"opacity\"in t&&(this.opacity=+t.opacity);var o=t.position||t.positions;if(o){var a=t.color||t.colors||[0,0,0,1],s=t.lineWidth||1,l=[],u=[],c=[],h=0,p=0,v=[[1/0,1/0,1/0],[-(1/0),-(1/0),-(1/0)]],m=!1;t:for(e=1;e<o.length;++e){var g=o[e-1],y=o[e];for(u.push(h),c.push(g.slice()),r=0;3>r;++r){if(isNaN(g[r])||isNaN(y[r])||!isFinite(g[r])||!isFinite(y[r])){if(!i&&l.length>0){for(var b=0;24>b;++b)l.push(l[l.length-12]);p+=2,m=!0}continue t}v[0][r]=Math.min(v[0][r],g[r],y[r]),v[1][r]=Math.max(v[1][r],g[r],y[r])}var x,_;Array.isArray(a[0])?(x=a[e-1],_=a[e]):x=_=a,3===x.length&&(x=[x[0],x[1],x[2],1]),3===_.length&&(_=[_[0],_[1],_[2],1]);var w;w=Array.isArray(s)?s[e-1]:s;var M=h;if(h+=n(g,y),m){for(r=0;2>r;++r)l.push(g[0],g[1],g[2],y[0],y[1],y[2],M,w,x[0],x[1],x[2],x[3]);p+=2,m=!1}l.push(g[0],g[1],g[2],y[0],y[1],y[2],M,w,x[0],x[1],x[2],x[3],g[0],g[1],g[2],y[0],y[1],y[2],M,-w,x[0],x[1],x[2],x[3],y[0],y[1],y[2],g[0],g[1],g[2],h,-w,_[0],_[1],_[2],_[3],y[0],y[1],y[2],g[0],g[1],g[2],h,w,_[0],_[1],_[2],_[3]),p+=4}if(this.buffer.update(l),u.push(h),c.push(o[o.length-1].slice()),this.bounds=v,this.vertexCount=p,this.points=c,this.arcLength=u,\"dashes\"in t){var k=t.dashes,A=k.slice();for(A.unshift(0),e=1;e<A.length;++e)A[e]=A[e-1]+A[e];var T=d(new Array(1024),[256,1,4]);for(e=0;256>e;++e){for(r=0;4>r;++r)T.set(e,0,r,0);1&f.le(A,A[A.length-1]*e/255)?T.set(e,0,0,0):T.set(e,0,0,255)}this.texture.setPixels(T)}}},y.dispose=function(){this.shader.dispose(),this.vao.dispose(),this.buffer.dispose()},y.pick=function(t){if(!t)return null;if(t.id!==this.pickId)return null;var e=h(t.value[0],t.value[1],t.value[2],0),r=f.le(this.arcLength,e);if(0>r)return null;if(r===this.arcLength.length-1)return new o(this.arcLength[this.arcLength.length-1],this.points[this.points.length-1].slice(),r);for(var n=this.points[r],i=this.points[Math.min(r+1,this.points.length-1)],a=(e-this.arcLength[r])/(this.arcLength[r+1]-this.arcLength[r]),s=1-a,l=[0,0,0],u=0;3>u;++u)l[u]=s*n[u]+a*i[u];var c=Math.min(.5>a?r:r+1,this.points.length-1);return new o(e,l,c,this.points[c])}},{\"./lib/shaders\":132,\"binary-search-bounds\":134,\"gl-buffer\":124,\"gl-texture2d\":228,\"gl-vao\":232,\"glsl-read-float\":135,ndarray:433}],134:[function(t,e,r){arguments[4][22][0].apply(r,arguments)},{dup:22}],135:[function(t,e,r){function n(t,e,r,n){return i[0]=n,i[1]=r,i[2]=e,i[3]=t,o[0]}e.exports=n;var i=new Uint8Array(4),o=new Float32Array(i.buffer)},{}],136:[function(t,e,r){function n(t,e){var r=e[0],n=e[1],i=e[2],o=e[3],a=e[4],s=e[5],l=e[6],u=e[7],c=e[8],h=c*a-s*u,f=-c*o+s*l,d=u*o-a*l,p=r*h+n*f+i*d;return p?(p=1/p,t[0]=h*p,t[1]=(-c*n+i*u)*p,t[2]=(s*n-i*a)*p,t[3]=f*p,t[4]=(c*r-i*l)*p,t[5]=(-s*r+i*o)*p,t[6]=d*p,t[7]=(-u*r+n*l)*p,t[8]=(a*r-n*o)*p,t):null}e.exports=n},{}],137:[function(t,e,r){function n(t){var e=new Float32Array(16);return e[0]=t[0],e[1]=t[1],e[2]=t[2],e[3]=t[3],e[4]=t[4],e[5]=t[5],e[6]=t[6],e[7]=t[7],e[8]=t[8],e[9]=t[9],e[10]=t[10],e[11]=t[11],e[12]=t[12],e[13]=t[13],e[14]=t[14],e[15]=t[15],e}e.exports=n},{}],138:[function(t,e,r){function n(){var t=new Float32Array(16);return t[0]=1,t[1]=0,t[2]=0,t[3]=0,t[4]=0,t[5]=1,t[6]=0,t[7]=0,t[8]=0,t[9]=0,t[10]=1,t[11]=0,t[12]=0,t[13]=0,t[14]=0,t[15]=1,t}e.exports=n},{}],139:[function(t,e,r){function n(t){var e=t[0],r=t[1],n=t[2],i=t[3],o=t[4],a=t[5],s=t[6],l=t[7],u=t[8],c=t[9],h=t[10],f=t[11],d=t[12],p=t[13],v=t[14],m=t[15],g=e*a-r*o,y=e*s-n*o,b=e*l-i*o,x=r*s-n*a,_=r*l-i*a,w=n*l-i*s,M=u*p-c*d,k=u*v-h*d,A=u*m-f*d,T=c*v-h*p,E=c*m-f*p,S=h*m-f*v;return g*S-y*E+b*T+x*A-_*k+w*M}e.exports=n},{}],140:[function(t,e,r){function n(t,e){var r=e[0],n=e[1],i=e[2],o=e[3],a=r+r,s=n+n,l=i+i,u=r*a,c=n*a,h=n*s,f=i*a,d=i*s,p=i*l,v=o*a,m=o*s,g=o*l;return t[0]=1-h-p,t[1]=c+g,t[2]=f-m,t[3]=0,t[4]=c-g,t[5]=1-u-p,t[6]=d+v,t[7]=0,t[8]=f+m,t[9]=d-v,t[10]=1-u-h,t[11]=0,t[12]=0,t[13]=0,t[14]=0,t[15]=1,t}e.exports=n},{}],141:[function(t,e,r){function n(t,e,r){var n=e[0],i=e[1],o=e[2],a=e[3],s=n+n,l=i+i,u=o+o,c=n*s,h=n*l,f=n*u,d=i*l,p=i*u,v=o*u,m=a*s,g=a*l,y=a*u;return t[0]=1-(d+v),t[1]=h+y,t[2]=f-g,t[3]=0,t[4]=h-y,t[5]=1-(c+v),t[6]=p+m,t[7]=0,t[8]=f+g,t[9]=p-m,t[10]=1-(c+d),t[11]=0,t[12]=r[0],t[13]=r[1],t[14]=r[2],t[15]=1,t}e.exports=n},{}],142:[function(t,e,r){function n(t){return t[0]=1,t[1]=0,t[2]=0,t[3]=0,t[4]=0,t[5]=1,t[6]=0,t[7]=0,t[8]=0,t[9]=0,t[10]=1,t[11]=0,t[12]=0,t[13]=0,t[14]=0,t[15]=1,t}e.exports=n},{}],143:[function(t,e,r){function n(t,e){var r=e[0],n=e[1],i=e[2],o=e[3],a=e[4],s=e[5],l=e[6],u=e[7],c=e[8],h=e[9],f=e[10],d=e[11],p=e[12],v=e[13],m=e[14],g=e[15],y=r*s-n*a,b=r*l-i*a,x=r*u-o*a,_=n*l-i*s,w=n*u-o*s,M=i*u-o*l,k=c*v-h*p,A=c*m-f*p,T=c*g-d*p,E=h*m-f*v,S=h*g-d*v,L=f*g-d*m,z=y*L-b*S+x*E+_*T-w*A+M*k;return z?(z=1/z,t[0]=(s*L-l*S+u*E)*z,t[1]=(i*S-n*L-o*E)*z,t[2]=(v*M-m*w+g*_)*z,t[3]=(f*w-h*M-d*_)*z,t[4]=(l*T-a*L-u*A)*z,t[5]=(r*L-i*T+o*A)*z,t[6]=(m*x-p*M-g*b)*z,t[7]=(c*M-f*x+d*b)*z,t[8]=(a*S-s*T+u*k)*z,t[9]=(n*T-r*S-o*k)*z,t[10]=(p*w-v*x+g*y)*z,t[11]=(h*x-c*w-d*y)*z,t[12]=(s*A-a*E-l*k)*z,t[13]=(r*E-n*A+i*k)*z,t[14]=(v*b-p*_-m*y)*z,t[15]=(c*_-h*b+f*y)*z,t):null}e.exports=n},{}],144:[function(t,e,r){function n(t,e,r,n){var o,a,s,l,u,c,h,f,d,p,v=e[0],m=e[1],g=e[2],y=n[0],b=n[1],x=n[2],_=r[0],w=r[1],M=r[2];return Math.abs(v-_)<1e-6&&Math.abs(m-w)<1e-6&&Math.abs(g-M)<1e-6?i(t):(h=v-_,f=m-w,d=g-M,p=1/Math.sqrt(h*h+f*f+d*d),h*=p,f*=p,d*=p,o=b*d-x*f,a=x*h-y*d,s=y*f-b*h,p=Math.sqrt(o*o+a*a+s*s),p?(p=1/p,o*=p,a*=p,s*=p):(o=0,a=0,s=0),l=f*s-d*a,u=d*o-h*s,c=h*a-f*o,p=Math.sqrt(l*l+u*u+c*c),p?(p=1/p,l*=p,u*=p,c*=p):(l=0,u=0,c=0),t[0]=o,t[1]=l,t[2]=h,t[3]=0,t[4]=a,t[5]=u,t[6]=f,t[7]=0,t[8]=s,t[9]=c,t[10]=d,t[11]=0,t[12]=-(o*v+a*m+s*g),t[13]=-(l*v+u*m+c*g),t[14]=-(h*v+f*m+d*g),t[15]=1,t)}var i=t(\"./identity\");e.exports=n},{\"./identity\":142}],145:[function(t,e,r){function n(t,e,r){var n=e[0],i=e[1],o=e[2],a=e[3],s=e[4],l=e[5],u=e[6],c=e[7],h=e[8],f=e[9],d=e[10],p=e[11],v=e[12],m=e[13],g=e[14],y=e[15],b=r[0],x=r[1],_=r[2],w=r[3];return t[0]=b*n+x*s+_*h+w*v,t[1]=b*i+x*l+_*f+w*m,t[2]=b*o+x*u+_*d+w*g,t[3]=b*a+x*c+_*p+w*y,b=r[4],x=r[5],_=r[6],w=r[7],t[4]=b*n+x*s+_*h+w*v,t[5]=b*i+x*l+_*f+w*m,t[6]=b*o+x*u+_*d+w*g,t[7]=b*a+x*c+_*p+w*y,b=r[8],x=r[9],_=r[10],w=r[11],t[8]=b*n+x*s+_*h+w*v,t[9]=b*i+x*l+_*f+w*m,t[10]=b*o+x*u+_*d+w*g,t[11]=b*a+x*c+_*p+w*y,b=r[12],x=r[13],_=r[14],w=r[15],t[12]=b*n+x*s+_*h+w*v,t[13]=b*i+x*l+_*f+w*m,t[14]=b*o+x*u+_*d+w*g,t[15]=b*a+x*c+_*p+w*y,t}e.exports=n},{}],146:[function(t,e,r){function n(t,e,r,n,i){var o=1/Math.tan(e/2),a=1/(n-i);return t[0]=o/r,t[1]=0,t[2]=0,t[3]=0,t[4]=0,t[5]=o,t[6]=0,t[7]=0,t[8]=0,t[9]=0,t[10]=(i+n)*a,t[11]=-1,t[12]=0,t[13]=0,t[14]=2*i*n*a,t[15]=0,t}e.exports=n},{}],147:[function(t,e,r){function n(t,e,r,n){var i,o,a,s,l,u,c,h,f,d,p,v,m,g,y,b,x,_,w,M,k,A,T,E,S=n[0],L=n[1],z=n[2],I=Math.sqrt(S*S+L*L+z*z);return Math.abs(I)<1e-6?null:(I=1/I,S*=I,L*=I,z*=I,i=Math.sin(r),o=Math.cos(r),a=1-o,s=e[0],l=e[1],u=e[2],c=e[3],h=e[4],f=e[5],d=e[6],p=e[7],v=e[8],m=e[9],g=e[10],y=e[11],b=S*S*a+o,x=L*S*a+z*i,_=z*S*a-L*i,w=S*L*a-z*i,M=L*L*a+o,k=z*L*a+S*i,A=S*z*a+L*i,T=L*z*a-S*i,E=z*z*a+o,t[0]=s*b+h*x+v*_,t[1]=l*b+f*x+m*_,t[2]=u*b+d*x+g*_,t[3]=c*b+p*x+y*_,t[4]=s*w+h*M+v*k,t[5]=l*w+f*M+m*k,t[6]=u*w+d*M+g*k,t[7]=c*w+p*M+y*k,t[8]=s*A+h*T+v*E,t[9]=l*A+f*T+m*E,t[10]=u*A+d*T+g*E,t[11]=c*A+p*T+y*E,e!==t&&(t[12]=e[12],t[13]=e[13],t[14]=e[14],t[15]=e[15]),t)}e.exports=n},{}],148:[function(t,e,r){function n(t,e,r){var n=Math.sin(r),i=Math.cos(r),o=e[4],a=e[5],s=e[6],l=e[7],u=e[8],c=e[9],h=e[10],f=e[11];return e!==t&&(t[0]=e[0],t[1]=e[1],t[2]=e[2],t[3]=e[3],t[12]=e[12],t[13]=e[13],t[14]=e[14],t[15]=e[15]),t[4]=o*i+u*n,t[5]=a*i+c*n,t[6]=s*i+h*n,t[7]=l*i+f*n,t[8]=u*i-o*n,t[9]=c*i-a*n,t[10]=h*i-s*n,t[11]=f*i-l*n,t}e.exports=n},{}],149:[function(t,e,r){function n(t,e,r){var n=Math.sin(r),i=Math.cos(r),o=e[0],a=e[1],s=e[2],l=e[3],u=e[8],c=e[9],h=e[10],f=e[11];return e!==t&&(t[4]=e[4],t[5]=e[5],t[6]=e[6],t[7]=e[7],t[12]=e[12],t[13]=e[13],t[14]=e[14],t[15]=e[15]),t[0]=o*i-u*n,t[1]=a*i-c*n,t[2]=s*i-h*n,t[3]=l*i-f*n,t[8]=o*n+u*i,t[9]=a*n+c*i,t[10]=s*n+h*i,t[11]=l*n+f*i,t}e.exports=n},{}],150:[function(t,e,r){function n(t,e,r){var n=Math.sin(r),i=Math.cos(r),o=e[0],a=e[1],s=e[2],l=e[3],u=e[4],c=e[5],h=e[6],f=e[7];return e!==t&&(t[8]=e[8],t[9]=e[9],t[10]=e[10],t[11]=e[11],t[12]=e[12],t[13]=e[13],t[14]=e[14],t[15]=e[15]),t[0]=o*i+u*n,t[1]=a*i+c*n,t[2]=s*i+h*n,t[3]=l*i+f*n,t[4]=u*i-o*n,t[5]=c*i-a*n,t[6]=h*i-s*n,t[7]=f*i-l*n,t}e.exports=n},{}],151:[function(t,e,r){function n(t,e,r){var n=r[0],i=r[1],o=r[2];return t[0]=e[0]*n,t[1]=e[1]*n,t[2]=e[2]*n,t[3]=e[3]*n,t[4]=e[4]*i,t[5]=e[5]*i,t[6]=e[6]*i,t[7]=e[7]*i,t[8]=e[8]*o,t[9]=e[9]*o,t[10]=e[10]*o,t[11]=e[11]*o,t[12]=e[12],t[13]=e[13],t[14]=e[14],t[15]=e[15],t}e.exports=n},{}],152:[function(t,e,r){function n(t,e,r){var n,i,o,a,s,l,u,c,h,f,d,p,v=r[0],m=r[1],g=r[2];return e===t?(t[12]=e[0]*v+e[4]*m+e[8]*g+e[12],t[13]=e[1]*v+e[5]*m+e[9]*g+e[13],t[14]=e[2]*v+e[6]*m+e[10]*g+e[14],t[15]=e[3]*v+e[7]*m+e[11]*g+e[15]):(n=e[0],i=e[1],o=e[2],a=e[3],s=e[4],l=e[5],u=e[6],c=e[7],h=e[8],f=e[9],d=e[10],p=e[11],t[0]=n,t[1]=i,t[2]=o,t[3]=a,t[4]=s,t[5]=l,t[6]=u,t[7]=c,t[8]=h,t[9]=f,t[10]=d,t[11]=p,t[12]=n*v+s*m+h*g+e[12],t[13]=i*v+l*m+f*g+e[13],t[14]=o*v+u*m+d*g+e[14],t[15]=a*v+c*m+p*g+e[15]),t}e.exports=n},{}],153:[function(t,e,r){function n(t,e){if(t===e){var r=e[1],n=e[2],i=e[3],o=e[6],a=e[7],s=e[11];t[1]=e[4],t[2]=e[8],t[3]=e[12],t[4]=r,t[6]=e[9],t[7]=e[13],t[8]=n,t[9]=o,t[11]=e[14],t[12]=i,t[13]=a,t[14]=s}else t[0]=e[0],t[1]=e[4],t[2]=e[8],t[3]=e[12],t[4]=e[1],t[5]=e[5],t[6]=e[9],t[7]=e[13],t[8]=e[2],t[9]=e[6],t[10]=e[10],t[11]=e[14],t[12]=e[3],t[13]=e[7],t[14]=e[11],t[15]=e[15];return t}e.exports=n},{}],154:[function(t,e,r){\"use strict\";function n(t,e){for(var r=[0,0,0,0],n=0;4>n;++n)for(var i=0;4>i;++i)r[i]+=t[4*n+i]*e[n];return r}function i(t,e,r,i,o){for(var a=n(i,n(r,n(e,[t[0],t[1],t[2],1]))),s=0;3>s;++s)a[s]/=a[3];return[.5*o[0]*(1+a[0]),.5*o[1]*(1-a[1])]}function o(t,e){if(2===t.length){for(var r=0,n=0,i=0;2>i;++i)r+=Math.pow(e[i]-t[0][i],2),n+=Math.pow(e[i]-t[1][i],2);return r=Math.sqrt(r),n=Math.sqrt(n),1e-6>r+n?[1,0]:[n/(r+n),r/(n+r)]}if(3===t.length){var o=[0,0];return u(t[0],t[1],t[2],e,o),l(t,o)}return[]}function a(t,e){for(var r=[0,0,0],n=0;n<t.length;++n)for(var i=t[n],o=e[n],a=0;3>a;++a)r[a]+=o*i[a];return r}function s(t,e,r,n,s,l){if(1===t.length)return[0,t[0].slice()];for(var u=new Array(t.length),c=0;c<t.length;++c)u[c]=i(t[c],r,n,s,l);for(var h=0,f=1/0,c=0;c<u.length;++c){for(var d=0,p=0;2>p;++p)d+=Math.pow(u[c][p]-e[p],2);f>d&&(f=d,h=c)}for(var v=o(u,e),m=0,c=0;3>c;++c){if(v[c]<-.001||v[c]>1.0001)return null;m+=v[c]}return Math.abs(m-1)>.001?null:[h,a(t,v),v]}var l=t(\"barycentric\"),u=t(\"polytope-closest-point/lib/closest_point_2d.js\");e.exports=s},{barycentric:157,\"polytope-closest-point/lib/closest_point_2d.js\":159}],155:[function(t,e,r){var n=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec3 position, normal;\\nattribute vec4 color;\\nattribute vec2 uv;\\n\\nuniform mat4 model\\n           , view\\n           , projection;\\nuniform vec3 eyePosition\\n           , lightPosition;\\n\\nvarying vec3 f_normal\\n           , f_lightDirection\\n           , f_eyeDirection\\n           , f_data;\\nvarying vec4 f_color;\\nvarying vec2 f_uv;\\n\\nvoid main() {\\n  vec4 m_position  = model * vec4(position, 1.0);\\n  vec4 t_position  = view * m_position;\\n  gl_Position      = projection * t_position;\\n  f_color          = color;\\n  f_normal         = normal;\\n  f_data           = position;\\n  f_eyeDirection   = eyePosition   - position;\\n  f_lightDirection = lightPosition - position;\\n  f_uv             = uv;\\n}\",i=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nfloat beckmannDistribution_2_0(float x, float roughness) {\\n  float NdotH = max(x, 0.0001);\\n  float cos2Alpha = NdotH * NdotH;\\n  float tan2Alpha = (cos2Alpha - 1.0) / cos2Alpha;\\n  float roughness2 = roughness * roughness;\\n  float denom = 3.141592653589793 * roughness2 * cos2Alpha * cos2Alpha;\\n  return exp(tan2Alpha / roughness2) / denom;\\n}\\n\\n\\n\\nfloat cookTorranceSpecular_1_1(\\n  vec3 lightDirection,\\n  vec3 viewDirection,\\n  vec3 surfaceNormal,\\n  float roughness,\\n  float fresnel) {\\n\\n  float VdotN = max(dot(viewDirection, surfaceNormal), 0.0);\\n  float LdotN = max(dot(lightDirection, surfaceNormal), 0.0);\\n\\n  //Half angle vector\\n  vec3 H = normalize(lightDirection + viewDirection);\\n\\n  //Geometric term\\n  float NdotH = max(dot(surfaceNormal, H), 0.0);\\n  float VdotH = max(dot(viewDirection, H), 0.000001);\\n  float LdotH = max(dot(lightDirection, H), 0.000001);\\n  float G1 = (2.0 * NdotH * VdotN) / VdotH;\\n  float G2 = (2.0 * NdotH * LdotN) / LdotH;\\n  float G = min(1.0, min(G1, G2));\\n  \\n  //Distribution term\\n  float D = beckmannDistribution_2_0(NdotH, roughness);\\n\\n  //Fresnel term\\n  float F = pow(1.0 - VdotN, fresnel);\\n\\n  //Multiply terms and done\\n  return  G * F * D / max(3.14159265 * VdotN, 0.000001);\\n}\\n\\n\\n\\nuniform vec3 clipBounds[2];\\nuniform float roughness\\n            , fresnel\\n            , kambient\\n            , kdiffuse\\n            , kspecular\\n            , opacity;\\nuniform sampler2D texture;\\n\\nvarying vec3 f_normal\\n           , f_lightDirection\\n           , f_eyeDirection\\n           , f_data;\\nvarying vec4 f_color;\\nvarying vec2 f_uv;\\n\\nvoid main() {\\n  if(any(lessThan(f_data, clipBounds[0])) || \\n     any(greaterThan(f_data, clipBounds[1]))) {\\n    discard;\\n  }\\n\\n  vec3 N = normalize(f_normal);\\n  vec3 L = normalize(f_lightDirection);\\n  vec3 V = normalize(f_eyeDirection);\\n  \\n  if(!gl_FrontFacing) {\\n    N = -N;\\n  }\\n\\n  float specular = cookTorranceSpecular_1_1(L, V, N, roughness, fresnel);\\n  float diffuse  = min(kambient + kdiffuse * max(dot(N, L), 0.0), 1.0);\\n\\n  vec4 surfaceColor = f_color * texture2D(texture, f_uv);\\n  vec4 litColor = surfaceColor.a * vec4(diffuse * surfaceColor.rgb + kspecular * vec3(1,1,1) * specular,  1.0);\\n\\n  gl_FragColor = litColor * opacity;\\n}\",o=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec3 position;\\nattribute vec4 color;\\nattribute vec2 uv;\\n\\nuniform mat4 model, view, projection;\\n\\nvarying vec4 f_color;\\nvarying vec3 f_data;\\nvarying vec2 f_uv;\\n\\nvoid main() {\\n  gl_Position = projection * view * model * vec4(position, 1.0);\\n  f_color = color;\\n  f_data  = position;\\n  f_uv    = uv;\\n}\",a=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nuniform vec3 clipBounds[2];\\nuniform sampler2D texture;\\nuniform float opacity;\\n\\nvarying vec4 f_color;\\nvarying vec3 f_data;\\nvarying vec2 f_uv;\\n\\nvoid main() {\\n  if(any(lessThan(f_data, clipBounds[0])) || \\n     any(greaterThan(f_data, clipBounds[1]))) {\\n    discard;\\n  }\\n\\n  gl_FragColor = f_color * texture2D(texture, f_uv) * opacity;\\n}\",s=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec3 position;\\nattribute vec4 color;\\nattribute vec2 uv;\\nattribute float pointSize;\\n\\nuniform mat4 model, view, projection;\\nuniform vec3 clipBounds[2];\\n\\nvarying vec4 f_color;\\nvarying vec2 f_uv;\\n\\nvoid main() {\\n  if(any(lessThan(position, clipBounds[0])) || \\n     any(greaterThan(position, clipBounds[1]))) {\\n    gl_Position = vec4(0,0,0,0);\\n  } else {\\n    gl_Position = projection * view * model * vec4(position, 1.0);\\n  }\\n  gl_PointSize = pointSize;\\n  f_color = color;\\n  f_uv = uv;\\n}\",l=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nuniform sampler2D texture;\\nuniform float opacity;\\n\\nvarying vec4 f_color;\\nvarying vec2 f_uv;\\n\\nvoid main() {\\n  vec2 pointR = gl_PointCoord.xy - vec2(0.5,0.5);\\n  if(dot(pointR, pointR) > 0.25) {\\n    discard;\\n  }\\n  gl_FragColor = f_color * texture2D(texture, f_uv) * opacity;\\n}\",u=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec3 position;\\nattribute vec4 id;\\n\\nuniform mat4 model, view, projection;\\n\\nvarying vec3 f_position;\\nvarying vec4 f_id;\\n\\nvoid main() {\\n  gl_Position = projection * view * model * vec4(position, 1.0);\\n  f_id        = id;\\n  f_position  = position;\\n}\",c=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nuniform vec3  clipBounds[2];\\nuniform float pickId;\\n\\nvarying vec3 f_position;\\nvarying vec4 f_id;\\n\\nvoid main() {\\n  if(any(lessThan(f_position, clipBounds[0])) || \\n     any(greaterThan(f_position, clipBounds[1]))) {\\n    discard;\\n  }\\n  gl_FragColor = vec4(pickId, f_id.xyz);\\n}\",h=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec3  position;\\nattribute float pointSize;\\nattribute vec4  id;\\n\\nuniform mat4 model, view, projection;\\nuniform vec3 clipBounds[2];\\n\\nvarying vec3 f_position;\\nvarying vec4 f_id;\\n\\nvoid main() {\\n  if(any(lessThan(position, clipBounds[0])) || \\n     any(greaterThan(position, clipBounds[1]))) {\\n    gl_Position = vec4(0,0,0,0);\\n  } else {\\n    gl_Position  = projection * view * model * vec4(position, 1.0);\\n    gl_PointSize = pointSize;\\n  }\\n  f_id         = id;\\n  f_position   = position;\\n}\",f=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec3 position;\\n\\nuniform mat4 model, view, projection;\\n\\nvoid main() {\\n  gl_Position = projection * view * model * vec4(position, 1.0);\\n}\",d=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nuniform vec3 contourColor;\\n\\nvoid main() {\\n  gl_FragColor = vec4(contourColor,1);\\n}\\n\";r.meshShader={vertex:n,fragment:i,attributes:[{name:\"position\",type:\"vec3\"},{name:\"normal\",type:\"vec3\"},{name:\"color\",type:\"vec4\"},{name:\"uv\",type:\"vec2\"}]},r.wireShader={vertex:o,fragment:a,attributes:[{name:\"position\",type:\"vec3\"},{name:\"color\",type:\"vec4\"},{name:\"uv\",type:\"vec2\"}]},r.pointShader={vertex:s,fragment:l,attributes:[{name:\"position\",type:\"vec3\"},{name:\"color\",type:\"vec4\"},{name:\"uv\",type:\"vec2\"},{name:\"pointSize\",type:\"float\"}]},r.pickShader={vertex:u,fragment:c,attributes:[{name:\"position\",type:\"vec3\"},{name:\"id\",type:\"vec4\"}]},r.pointPickShader={vertex:h,fragment:c,attributes:[{name:\"position\",type:\"vec3\"},{name:\"pointSize\",type:\"float\"},{name:\"id\",type:\"vec4\"}]},r.contourShader={vertex:f,fragment:d,attributes:[{name:\"position\",type:\"vec3\"}]}},{}],156:[function(t,e,r){\"use strict\";function n(t,e,r,n,i,o,a,s,l,u,c,h,f,d,p,v,m,g,y,b,x,_,w,M,k,A,T){this.gl=t,this.cells=[],this.positions=[],this.intensity=[],this.texture=e,this.dirty=!0,this.triShader=r,this.lineShader=n,this.pointShader=i,this.pickShader=o,this.pointPickShader=a,this.contourShader=s,this.trianglePositions=l,this.triangleColors=c,this.triangleNormals=f,this.triangleUVs=h,this.triangleIds=u,this.triangleVAO=d,this.triangleCount=0,this.lineWidth=1,this.edgePositions=p,this.edgeColors=m,this.edgeUVs=g,this.edgeIds=v,this.edgeVAO=y,this.edgeCount=0,this.pointPositions=b,this.pointColors=_,this.pointUVs=w,this.pointSizes=M,this.pointIds=x,this.pointVAO=k,this.pointCount=0,this.contourLineWidth=1,this.contourPositions=A,this.contourVAO=T,this.contourCount=0,this.contourColor=[0,0,0],this.contourEnable=!0,this.pickId=1,this.bounds=[[1/0,1/0,1/0],[-(1/0),-(1/0),-(1/0)]],this.clipBounds=[[-(1/0),-(1/0),-(1/0)],[1/0,1/0,1/0]],this.lightPosition=[1e5,1e5,0],this.ambientLight=.8,this.diffuseLight=.8,this.specularLight=2,this.roughness=.5,this.fresnel=1.5,this.opacity=1,this._model=D,this._view=D,this._projection=D,this._resolution=[1,1]}function i(t){for(var e=k({colormap:t,nshades:256,format:\"rgba\"}),r=new Uint8Array(1024),n=0;256>n;++n){for(var i=e[n],o=0;3>o;++o)r[4*n+o]=i[o];r[4*n+3]=255*i[3]}return M(r,[256,256,4],[4,0,1])}function o(t,e,r){for(var n=new Array(e),i=0;e>i;++i)n[i]=0;for(var o=t.length,i=0;o>i;++i)for(var a=t[i],s=0;s<a.length;++s)n[a[s]]=r[i];return n}function a(t){for(var e=t.length,r=new Array(e),n=0;e>n;++n)r[n]=t[n][2];return r}function s(t){var e=m(t,L);return e.attributes.position.location=0,e.attributes.color.location=2,e.attributes.uv.location=3,e.attributes.normal.location=4,e}function l(t){var e=m(t,z);return e.attributes.position.location=0,e.attributes.color.location=2,e.attributes.uv.location=3,e}function u(t){var e=m(t,I);return e.attributes.position.location=0,e.attributes.color.location=2,e.attributes.uv.location=3,e.attributes.pointSize.location=4,e}function c(t){var e=m(t,P);return e.attributes.position.location=0,e.attributes.id.location=1,e}function h(t){var e=m(t,C);return e.attributes.position.location=0,e.attributes.id.location=1,e.attributes.pointSize.location=4,e}function f(t){var e=m(t,R);return e.attributes.position.location=0,e}function d(t){var e=t.gl,r=s(e),i=l(e),o=u(e),a=c(e),d=h(e),p=f(e),v=b(e,M(new Uint8Array([255,255,255,255]),[1,1,4]));v.generateMipmap(),v.minFilter=e.LINEAR_MIPMAP_LINEAR,v.magFilter=e.LINEAR;var m=g(e),x=g(e),_=g(e),w=g(e),k=g(e),A=y(e,[{buffer:m,type:e.FLOAT,size:3},{buffer:k,type:e.UNSIGNED_BYTE,size:4,normalized:!0},{buffer:x,type:e.FLOAT,size:4},{buffer:_,type:e.FLOAT,size:2},{buffer:w,type:e.FLOAT,size:3}]),T=g(e),E=g(e),S=g(e),L=g(e),z=y(e,[{buffer:T,type:e.FLOAT,size:3},{buffer:L,type:e.UNSIGNED_BYTE,\nsize:4,normalized:!0},{buffer:E,type:e.FLOAT,size:4},{buffer:S,type:e.FLOAT,size:2}]),I=g(e),P=g(e),C=g(e),R=g(e),D=g(e),O=y(e,[{buffer:I,type:e.FLOAT,size:3},{buffer:D,type:e.UNSIGNED_BYTE,size:4,normalized:!0},{buffer:P,type:e.FLOAT,size:4},{buffer:C,type:e.FLOAT,size:2},{buffer:R,type:e.FLOAT,size:1}]),F=g(e),j=y(e,[{buffer:F,type:e.FLOAT,size:3}]),N=new n(e,v,r,i,o,a,d,p,m,k,x,_,w,A,T,L,E,S,z,I,D,P,C,R,O,F,j);return N.update(t),N}var p=1e-6,v=1e-6,m=t(\"gl-shader\"),g=t(\"gl-buffer\"),y=t(\"gl-vao\"),b=t(\"gl-texture2d\"),x=t(\"normals\"),_=t(\"gl-mat4/multiply\"),w=t(\"gl-mat4/invert\"),M=t(\"ndarray\"),k=t(\"colormap\"),A=t(\"simplicial-complex-contour\"),T=t(\"typedarray-pool\"),E=t(\"./lib/shaders\"),S=t(\"./lib/closest-point\"),L=E.meshShader,z=E.wireShader,I=E.pointShader,P=E.pickShader,C=E.pointPickShader,R=E.contourShader,D=[1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1],O=n.prototype;O.isOpaque=function(){return this.opacity>=1},O.isTransparent=function(){return this.opacity<1},O.pickSlots=1,O.setPickBase=function(t){this.pickId=t},O.highlight=function(t){if(!t||!this.contourEnable)return void(this.contourCount=0);for(var e=A(this.cells,this.intensity,t.intensity),r=e.cells,n=e.vertexIds,i=e.vertexWeights,o=r.length,a=T.mallocFloat32(6*o),s=0,l=0;o>l;++l)for(var u=r[l],c=0;2>c;++c){var h=u[0];2===u.length&&(h=u[c]);for(var f=n[h][0],d=n[h][1],p=i[h],v=1-p,m=this.positions[f],g=this.positions[d],y=0;3>y;++y)a[s++]=p*m[y]+v*g[y]}this.contourCount=s/3|0,this.contourPositions.update(a.subarray(0,s)),T.free(a)},O.update=function(t){t=t||{};var e=this.gl;this.dirty=!0,\"contourEnable\"in t&&(this.contourEnable=t.contourEnable),\"contourColor\"in t&&(this.contourColor=t.contourColor),\"lineWidth\"in t&&(this.lineWidth=t.lineWidth),\"lightPosition\"in t&&(this.lightPosition=t.lightPosition),\"opacity\"in t&&(this.opacity=t.opacity),\"ambient\"in t&&(this.ambientLight=t.ambient),\"diffuse\"in t&&(this.diffuseLight=t.diffuse),\"specular\"in t&&(this.specularLight=t.specular),\"roughness\"in t&&(this.roughness=t.roughness),\"fresnel\"in t&&(this.fresnel=t.fresnel),t.texture?(this.texture.dispose(),this.texture=b(e,t.texture)):t.colormap&&(this.texture.shape=[256,256],this.texture.minFilter=e.LINEAR_MIPMAP_LINEAR,this.texture.magFilter=e.LINEAR,this.texture.setPixels(i(t.colormap)),this.texture.generateMipmap());var r=t.cells,n=t.positions;if(n&&r){var s=[],l=[],u=[],c=[],h=[],f=[],d=[],m=[],g=[],y=[],_=[],w=[],M=[],k=[];this.cells=r,this.positions=n;var A=t.vertexNormals,T=t.cellNormals,E=void 0===t.vertexNormalsEpsilon?p:t.vertexNormalsEpsilon,S=void 0===t.faceNormalsEpsilon?v:t.faceNormalsEpsilon;t.useFacetNormals&&!T&&(T=x.faceNormals(r,n,S)),T||A||(A=x.vertexNormals(r,n,E));var L=t.vertexColors,z=t.cellColors,I=t.meshColor||[1,1,1,1],P=t.vertexUVs,C=t.vertexIntensity,R=t.cellUVs,D=t.cellIntensity,O=1/0,F=-(1/0);if(!P&&!R)if(C)for(var j=0;j<C.length;++j){var N=C[j];O=Math.min(O,N),F=Math.max(F,N)}else if(D)for(var j=0;j<D.length;++j){var N=D[j];O=Math.min(O,N),F=Math.max(F,N)}else for(var j=0;j<n.length;++j){var N=n[j][2];O=Math.min(O,N),F=Math.max(F,N)}C?this.intensity=C:D?this.intensity=o(r,n.length,D):this.intensity=a(n);var B=t.pointSizes,U=t.pointSize||1;this.bounds=[[1/0,1/0,1/0],[-(1/0),-(1/0),-(1/0)]];for(var j=0;j<n.length;++j)for(var V=n[j],q=0;3>q;++q)!isNaN(V[q])&&isFinite(V[q])&&(this.bounds[0][q]=Math.min(this.bounds[0][q],V[q]),this.bounds[1][q]=Math.max(this.bounds[1][q],V[q]));var G=0,H=0,X=0;t:for(var j=0;j<r.length;++j){var Y=r[j];switch(Y.length){case 1:for(var W=Y[0],V=n[W],q=0;3>q;++q)if(isNaN(V[q])||!isFinite(V[q]))continue t;y.push(V[0],V[1],V[2]);var Z;Z=L?L[W]:z?z[j]:I,3===Z.length?_.push(Z[0],Z[1],Z[2],1):_.push(Z[0],Z[1],Z[2],Z[3]);var K;K=P?P[W]:C?[(C[W]-O)/(F-O),0]:R?R[j]:D?[(D[j]-O)/(F-O),0]:[(V[2]-O)/(F-O),0],w.push(K[0],K[1]),B?M.push(B[W]):M.push(U),k.push(j),X+=1;break;case 2:for(var q=0;2>q;++q)for(var W=Y[q],V=n[W],J=0;3>J;++J)if(isNaN(V[J])||!isFinite(V[J]))continue t;for(var q=0;2>q;++q){var W=Y[q],V=n[W];f.push(V[0],V[1],V[2]);var Z;Z=L?L[W]:z?z[j]:I,3===Z.length?d.push(Z[0],Z[1],Z[2],1):d.push(Z[0],Z[1],Z[2],Z[3]);var K;K=P?P[W]:C?[(C[W]-O)/(F-O),0]:R?R[j]:D?[(D[j]-O)/(F-O),0]:[(V[2]-O)/(F-O),0],m.push(K[0],K[1]),g.push(j)}H+=1;break;case 3:for(var q=0;3>q;++q)for(var W=Y[q],V=n[W],J=0;3>J;++J)if(isNaN(V[J])||!isFinite(V[J]))continue t;for(var q=0;3>q;++q){var W=Y[q],V=n[W];s.push(V[0],V[1],V[2]);var Z;Z=L?L[W]:z?z[j]:I,3===Z.length?l.push(Z[0],Z[1],Z[2],1):l.push(Z[0],Z[1],Z[2],Z[3]);var K;K=P?P[W]:C?[(C[W]-O)/(F-O),0]:R?R[j]:D?[(D[j]-O)/(F-O),0]:[(V[2]-O)/(F-O),0],c.push(K[0],K[1]);var $;$=A?A[W]:T[j],u.push($[0],$[1],$[2]),h.push(j)}G+=1}}this.pointCount=X,this.edgeCount=H,this.triangleCount=G,this.pointPositions.update(y),this.pointColors.update(_),this.pointUVs.update(w),this.pointSizes.update(M),this.pointIds.update(new Uint32Array(k)),this.edgePositions.update(f),this.edgeColors.update(d),this.edgeUVs.update(m),this.edgeIds.update(new Uint32Array(g)),this.trianglePositions.update(s),this.triangleColors.update(l),this.triangleUVs.update(c),this.triangleNormals.update(u),this.triangleIds.update(new Uint32Array(h))}},O.drawTransparent=O.draw=function(t){t=t||{};for(var e=this.gl,r=t.model||D,n=t.view||D,i=t.projection||D,o=[[-1e6,-1e6,-1e6],[1e6,1e6,1e6]],a=0;3>a;++a)o[0][a]=Math.max(o[0][a],this.clipBounds[0][a]),o[1][a]=Math.min(o[1][a],this.clipBounds[1][a]);var s={model:r,view:n,projection:i,clipBounds:o,kambient:this.ambientLight,kdiffuse:this.diffuseLight,kspecular:this.specularLight,roughness:this.roughness,fresnel:this.fresnel,eyePosition:[0,0,0],lightPosition:[0,0,0],opacity:this.opacity,contourColor:this.contourColor,texture:0};this.texture.bind(0);var l=new Array(16);_(l,s.view,s.model),_(l,s.projection,l),w(l,l);for(var a=0;3>a;++a)s.eyePosition[a]=l[12+a]/l[15];for(var u=l[15],a=0;3>a;++a)u+=this.lightPosition[a]*l[4*a+3];for(var a=0;3>a;++a){for(var c=l[12+a],h=0;3>h;++h)c+=l[4*h+a]*this.lightPosition[h];s.lightPosition[a]=c/u}if(this.triangleCount>0){var f=this.triShader;f.bind(),f.uniforms=s,this.triangleVAO.bind(),e.drawArrays(e.TRIANGLES,0,3*this.triangleCount),this.triangleVAO.unbind()}if(this.edgeCount>0&&this.lineWidth>0){var f=this.lineShader;f.bind(),f.uniforms=s,this.edgeVAO.bind(),e.lineWidth(this.lineWidth),e.drawArrays(e.LINES,0,2*this.edgeCount),this.edgeVAO.unbind()}if(this.pointCount>0){var f=this.pointShader;f.bind(),f.uniforms=s,this.pointVAO.bind(),e.drawArrays(e.POINTS,0,this.pointCount),this.pointVAO.unbind()}if(this.contourEnable&&this.contourCount>0&&this.contourLineWidth>0){var f=this.contourShader;f.bind(),f.uniforms=s,this.contourVAO.bind(),e.drawArrays(e.LINES,0,this.contourCount),this.contourVAO.unbind()}},O.drawPick=function(t){t=t||{};for(var e=this.gl,r=t.model||D,n=t.view||D,i=t.projection||D,o=[[-1e6,-1e6,-1e6],[1e6,1e6,1e6]],a=0;3>a;++a)o[0][a]=Math.max(o[0][a],this.clipBounds[0][a]),o[1][a]=Math.min(o[1][a],this.clipBounds[1][a]);this._model=[].slice.call(r),this._view=[].slice.call(n),this._projection=[].slice.call(i),this._resolution=[e.drawingBufferWidth,e.drawingBufferHeight];var s={model:r,view:n,projection:i,clipBounds:o,pickId:this.pickId/255},l=this.pickShader;if(l.bind(),l.uniforms=s,this.triangleCount>0&&(this.triangleVAO.bind(),e.drawArrays(e.TRIANGLES,0,3*this.triangleCount),this.triangleVAO.unbind()),this.edgeCount>0&&(this.edgeVAO.bind(),e.lineWidth(this.lineWidth),e.drawArrays(e.LINES,0,2*this.edgeCount),this.edgeVAO.unbind()),this.pointCount>0){var l=this.pointPickShader;l.bind(),l.uniforms=s,this.pointVAO.bind(),e.drawArrays(e.POINTS,0,this.pointCount),this.pointVAO.unbind()}},O.pick=function(t){if(!t)return null;if(t.id!==this.pickId)return null;for(var e=t.value[0]+256*t.value[1]+65536*t.value[2],r=this.cells[e],n=this.positions,i=new Array(r.length),o=0;o<r.length;++o)i[o]=n[r[o]];var a=S(i,[t.coord[0],this._resolution[1]-t.coord[1]],this._model,this._view,this._projection,this._resolution);if(!a)return null;for(var s=a[2],l=0,o=0;o<r.length;++o)l+=s[o]*this.intensity[r[o]];return{position:a[1],index:r[a[0]],cell:r,cellId:e,intensity:l,dataCoordinate:this.positions[r[a[0]]]}},O.dispose=function(){this.texture.dispose(),this.triShader.dispose(),this.lineShader.dispose(),this.pointShader.dispose(),this.pickShader.dispose(),this.pointPickShader.dispose(),this.triangleVAO.dispose(),this.trianglePositions.dispose(),this.triangleColors.dispose(),this.triangleUVs.dispose(),this.triangleNormals.dispose(),this.triangleIds.dispose(),this.edgeVAO.dispose(),this.edgePositions.dispose(),this.edgeColors.dispose(),this.edgeUVs.dispose(),this.edgeIds.dispose(),this.pointVAO.dispose(),this.pointPositions.dispose(),this.pointColors.dispose(),this.pointUVs.dispose(),this.pointSizes.dispose(),this.pointIds.dispose(),this.contourVAO.dispose(),this.contourPositions.dispose(),this.contourShader.dispose()},e.exports=d},{\"./lib/closest-point\":154,\"./lib/shaders\":155,colormap:106,\"gl-buffer\":124,\"gl-mat4/invert\":143,\"gl-mat4/multiply\":145,\"gl-shader\":203,\"gl-texture2d\":228,\"gl-vao\":232,ndarray:433,normals:158,\"simplicial-complex-contour\":160,\"typedarray-pool\":458}],157:[function(t,e,r){\"use strict\";function n(t){for(var e=0,r=0;r<t.length;++r)e+=t[r];return e}function i(t,e){for(var r=e.length,i=new Array(r+1),a=0;r>a;++a){for(var s=new Array(r+1),l=0;r>=l;++l)s[l]=t[l][a];i[a]=s}i[r]=new Array(r+1);for(var a=0;r>=a;++a)i[r][a]=1;for(var u=new Array(r+1),a=0;r>a;++a)u[a]=e[a];u[r]=1;var c=o(i,u),h=n(c[r+1]);0===h&&(h=1);for(var f=new Array(r+1),a=0;r>=a;++a)f[a]=n(c[a])/h;return f}e.exports=i;var o=t(\"robust-linear-solve\")},{\"robust-linear-solve\":436}],158:[function(t,e,r){var n=1e-6,i=1e-6;r.vertexNormals=function(t,e,r){for(var i=e.length,o=new Array(i),a=void 0===r?n:r,s=0;i>s;++s)o[s]=[0,0,0];for(var s=0;s<t.length;++s)for(var l=t[s],u=0,c=l[l.length-1],h=l[0],f=0;f<l.length;++f){u=c,c=h,h=l[(f+1)%l.length];for(var d=e[u],p=e[c],v=e[h],m=new Array(3),g=0,y=new Array(3),b=0,x=0;3>x;++x)m[x]=d[x]-p[x],g+=m[x]*m[x],y[x]=v[x]-p[x],b+=y[x]*y[x];if(g*b>a)for(var _=o[c],w=1/Math.sqrt(g*b),x=0;3>x;++x){var M=(x+1)%3,k=(x+2)%3;_[x]+=w*(y[M]*m[k]-y[k]*m[M])}}for(var s=0;i>s;++s){for(var _=o[s],A=0,x=0;3>x;++x)A+=_[x]*_[x];if(A>a)for(var w=1/Math.sqrt(A),x=0;3>x;++x)_[x]*=w;else for(var x=0;3>x;++x)_[x]=0}return o},r.faceNormals=function(t,e,r){for(var n=t.length,o=new Array(n),a=void 0===r?i:r,s=0;n>s;++s){for(var l=t[s],u=new Array(3),c=0;3>c;++c)u[c]=e[l[c]];for(var h=new Array(3),f=new Array(3),c=0;3>c;++c)h[c]=u[1][c]-u[0][c],f[c]=u[2][c]-u[0][c];for(var d=new Array(3),p=0,c=0;3>c;++c){var v=(c+1)%3,m=(c+2)%3;d[c]=h[v]*f[m]-h[m]*f[v],p+=d[c]*d[c]}p=p>a?1/Math.sqrt(p):0;for(var c=0;3>c;++c)d[c]*=p;o[s]=d}return o}},{}],159:[function(t,e,r){\"use strict\";function n(t,e,r,n,s){i.length<n.length&&(i=new Float64Array(n.length),o=new Float64Array(n.length),a=new Float64Array(n.length));for(var l=0;l<n.length;++l)i[l]=t[l]-n[l],o[l]=e[l]-t[l],a[l]=r[l]-t[l];for(var u=0,c=0,h=0,f=0,d=0,p=0,l=0;l<n.length;++l){var v=o[l],m=a[l],g=i[l];u+=v*v,c+=v*m,h+=m*m,f+=g*v,d+=g*m,p+=g*g}var y,b=Math.abs(u*h-c*c),x=c*d-h*f,_=c*f-u*d;if(b>=x+_)if(0>x)0>_&&0>f?(_=0,-f>=u?(x=1,y=u+2*f+p):(x=-f/u,y=f*x+p)):(x=0,d>=0?(_=0,y=p):-d>=h?(_=1,y=h+2*d+p):(_=-d/h,y=d*_+p));else if(0>_)_=0,f>=0?(x=0,y=p):-f>=u?(x=1,y=u+2*f+p):(x=-f/u,y=f*x+p);else{var w=1/b;x*=w,_*=w,y=x*(u*x+c*_+2*f)+_*(c*x+h*_+2*d)+p}else{var M,k,A,T;0>x?(M=c+f,k=h+d,k>M?(A=k-M,T=u-2*c+h,A>=T?(x=1,_=0,y=u+2*f+p):(x=A/T,_=1-x,y=x*(u*x+c*_+2*f)+_*(c*x+h*_+2*d)+p)):(x=0,0>=k?(_=1,y=h+2*d+p):d>=0?(_=0,y=p):(_=-d/h,y=d*_+p))):0>_?(M=c+d,k=u+f,k>M?(A=k-M,T=u-2*c+h,A>=T?(_=1,x=0,y=h+2*d+p):(_=A/T,x=1-_,y=x*(u*x+c*_+2*f)+_*(c*x+h*_+2*d)+p)):(_=0,0>=k?(x=1,y=u+2*f+p):f>=0?(x=0,y=p):(x=-f/u,y=f*x+p))):(A=h+d-c-f,0>=A?(x=0,_=1,y=h+2*d+p):(T=u-2*c+h,A>=T?(x=1,_=0,y=u+2*f+p):(x=A/T,_=1-x,y=x*(u*x+c*_+2*f)+_*(c*x+h*_+2*d)+p)))}for(var E=1-x-_,l=0;l<n.length;++l)s[l]=E*t[l]+x*e[l]+_*r[l];return 0>y?0:y}var i=new Float64Array(4),o=new Float64Array(4),a=new Float64Array(4);e.exports=n},{}],160:[function(t,e,r){\"use strict\";function n(t){for(var e=t.length,r=0,n=0;e>n;++n)r=0|Math.max(r,t[n].length);return r-1}function i(t,e){for(var r=t.length,n=h.mallocUint8(r),i=0;r>i;++i)n[i]=t[i]<e|0;return n}function o(t,e){for(var r=t.length,n=e*(e+1)/2*r|0,i=h.mallocUint32(2*n),o=0,a=0;r>a;++a)for(var s=t[a],e=s.length,l=0;e>l;++l)for(var u=0;l>u;++u){var d=s[u],p=s[l];i[o++]=0|Math.min(d,p),i[o++]=0|Math.max(d,p)}var v=o/2|0;f(c(i,[v,2]));for(var m=2,a=2;o>a;a+=2)i[a-2]===i[a]&&i[a-1]===i[a+1]||(i[m++]=i[a],i[m++]=i[a+1]);return c(i,[m/2|0,2])}function a(t,e,r,n){for(var i=t.data,o=t.shape[0],a=h.mallocDouble(o),s=0,l=0;o>l;++l){var u=i[2*l],f=i[2*l+1];if(r[u]!==r[f]){var d=e[u],p=e[f];i[2*s]=u,i[2*s+1]=f,a[s++]=(p-n)/(p-d)}}return t.shape[0]=s,c(a,[s])}function s(t,e){var r=h.mallocInt32(2*e),n=t.shape[0],i=t.data;r[0]=0;for(var o=0,a=0;n>a;++a){var s=i[2*a];if(s!==o){for(r[2*o+1]=a;++o<s;)r[2*o]=a,r[2*o+1]=a;r[2*o]=a}}for(r[2*o+1]=n;++o<e;)r[2*o]=r[2*o+1]=n;return r}function l(t){for(var e=0|t.shape[0],r=t.data,n=new Array(e),i=0;e>i;++i)n[i]=[r[2*i],r[2*i+1]];return n}function u(t,e,r,u){r=r||0,\"undefined\"==typeof u&&(u=n(t));var c=t.length;if(0===c||1>u)return{cells:[],vertexIds:[],vertexWeights:[]};var f=i(e,+r),p=o(t,u),v=a(p,e,f,+r),m=s(p,0|e.length),g=d(u)(t,p.data,m,f),y=l(p),b=[].slice.call(v.data,0,v.shape[0]);return h.free(f),h.free(p.data),h.free(v.data),h.free(m),{cells:g,vertexIds:y,vertexWeights:b}}e.exports=u;var c=t(\"ndarray\"),h=t(\"typedarray-pool\"),f=t(\"ndarray-sort\"),d=t(\"./lib/codegen\")},{\"./lib/codegen\":161,ndarray:433,\"ndarray-sort\":164,\"typedarray-pool\":458}],161:[function(t,e,r){\"use strict\";function n(t){function e(t){if(!(t.length<=0)){u.push(\"R.push(\");for(var e=0;e<t.length;++e){var r=t[e];e>0&&u.push(\",\"),u.push(\"[\");for(var n=0;n<r.length;++n){var i=r[n];n>0&&u.push(\",\"),u.push(\"B(C,E,c[\",i[0],\"],c[\",i[1],\"])\")}u.push(\"]\")}u.push(\");\")}}var r=0,n=new Array(t+1);n[0]=[[]];for(var i=1;t>=i;++i)for(var s=n[i]=a(i),l=0;l<s.length;++l)r=Math.max(r,s[i].length);for(var u=[\"function B(C,E,i,j){\",\"var a=Math.min(i,j)|0,b=Math.max(i,j)|0,l=C[2*a],h=C[2*a+1];\",\"while(l<h){\",\"var m=(l+h)>>1,v=E[2*m+1];\",\"if(v===b){return m}\",\"if(b<v){h=m}else{l=m+1}\",\"}\",\"return l;\",\"};\",\"function getContour\",t,\"d(F,E,C,S){\",\"var n=F.length,R=[];\",\"for(var i=0;i<n;++i){var c=F[i],l=c.length;\"],i=t+1;i>1;--i){t+1>i&&u.push(\"else \"),u.push(\"if(l===\",i,\"){\");for(var c=[],l=0;i>l;++l)c.push(\"(S[c[\"+l+\"]]<<\"+l+\")\");u.push(\"var M=\",c.join(\"+\"),\";if(M===0||M===\",(1<<i)-1,\"){continue}switch(M){\");for(var s=n[i-1],l=0;l<s.length;++l)u.push(\"case \",l,\":\"),e(s[l]),u.push(\"break;\");u.push(\"}}\")}u.push(\"}return R;};return getContour\",t,\"d\");var h=new Function(\"pool\",u.join(\"\"));return h(o)}function i(t){var e=s[t];return e||(e=s[t]=n(t)),e}e.exports=i;var o=t(\"typedarray-pool\"),a=t(\"marching-simplex-table\"),s={}},{\"marching-simplex-table\":162,\"typedarray-pool\":458}],162:[function(t,e,r){\"use strict\";function n(t,e,r){for(var n=new Array(t),i=0;t>i;++i)n[i]=0,i===e&&(n[i]+=.5),i===r&&(n[i]+=.5);return n}function i(t,e){if(0===e||e===(1<<t+1)-1)return[];for(var r=[],i=[],o=0;t>=o;++o)if(e&1<<o){r.push(n(t,o-1,o-1)),i.push(null);for(var s=0;t>=s;++s)~e&1<<s&&(r.push(n(t,o-1,s-1)),i.push([o,s]))}var l=a(r),u=[];t:for(var o=0;o<l.length;++o){for(var c=l[o],h=[],s=0;s<c.length;++s){if(!i[c[s]])continue t;h.push(i[c[s]].slice())}u.push(h)}return u}function o(t){for(var e=1<<t+1,r=new Array(e),n=0;e>n;++n)r[n]=i(t,n);return r}e.exports=o;var a=t(\"convex-hull\")},{\"convex-hull\":108}],163:[function(t,e,r){\"use strict\";function n(t){switch(t){case\"uint8\":return[l.mallocUint8,l.freeUint8];case\"uint16\":return[l.mallocUint16,l.freeUint16];case\"uint32\":return[l.mallocUint32,l.freeUint32];case\"int8\":return[l.mallocInt8,l.freeInt8];case\"int16\":return[l.mallocInt16,l.freeInt16];case\"int32\":return[l.mallocInt32,l.freeInt32];case\"float32\":return[l.mallocFloat,l.freeFloat];case\"float64\":return[l.mallocDouble,l.freeDouble];default:return null}}function i(t){for(var e=[],r=0;t>r;++r)e.push(\"s\"+r);for(var r=0;t>r;++r)e.push(\"n\"+r);for(var r=1;t>r;++r)e.push(\"d\"+r);for(var r=1;t>r;++r)e.push(\"e\"+r);for(var r=1;t>r;++r)e.push(\"f\"+r);return e}function o(t,e){function r(t){return\"generic\"===e?[\"data.get(\",t,\")\"].join(\"\"):[\"data[\",t,\"]\"].join(\"\")}function o(t,r){return\"generic\"===e?[\"data.set(\",t,\",\",r,\")\"].join(\"\"):[\"data[\",t,\"]=\",r].join(\"\")}var a=[\"'use strict'\"],s=[\"ndarrayInsertionSort\",t.join(\"d\"),e].join(\"\"),l=[\"left\",\"right\",\"data\",\"offset\"].concat(i(t.length)),u=n(e),c=[\"i,j,cptr,ptr=left*s0+offset\"];if(t.length>1){for(var h=[],f=1;f<t.length;++f)c.push(\"i\"+f),h.push(\"n\"+f);u?c.push(\"scratch=malloc(\"+h.join(\"*\")+\")\"):c.push(\"scratch=new Array(\"+h.join(\"*\")+\")\"),c.push(\"dptr\",\"sptr\",\"a\",\"b\")}else c.push(\"scratch\");if(a.push([\"function \",s,\"(\",l.join(\",\"),\"){var \",c.join(\",\")].join(\"\"),\"for(i=left+1;i<=right;++i){\",\"j=i;ptr+=s0\",\"cptr=ptr\"),t.length>1){a.push(\"dptr=0;sptr=ptr\");for(var f=t.length-1;f>=0;--f){var d=t[f];0!==d&&a.push([\"for(i\",d,\"=0;i\",d,\"<n\",d,\";++i\",d,\"){\"].join(\"\"))}a.push(\"scratch[dptr++]=\",r(\"sptr\"));for(var f=0;f<t.length;++f){var d=t[f];0!==d&&a.push(\"sptr+=d\"+d,\"}\")}a.push(\"__g:while(j-->left){\",\"dptr=0\",\"sptr=cptr-s0\");for(var f=1;f<t.length;++f)1===f&&a.push(\"__l:\"),a.push([\"for(i\",f,\"=0;i\",f,\"<n\",f,\";++i\",f,\"){\"].join(\"\"));a.push([\"a=\",r(\"sptr\"),\"\\nb=scratch[dptr]\\nif(a<b){break __g}\\nif(a>b){break __l}\"].join(\"\"));for(var f=t.length-1;f>=1;--f)a.push(\"sptr+=e\"+f,\"dptr+=f\"+f,\"}\");a.push(\"dptr=cptr;sptr=cptr-s0\");for(var f=t.length-1;f>=0;--f){var d=t[f];0!==d&&a.push([\"for(i\",d,\"=0;i\",d,\"<n\",d,\";++i\",d,\"){\"].join(\"\"))}a.push(o(\"dptr\",r(\"sptr\")));for(var f=0;f<t.length;++f){var d=t[f];0!==d&&a.push([\"dptr+=d\",d,\";sptr+=d\",d].join(\"\"),\"}\")}a.push(\"cptr-=s0\\n}\"),a.push(\"dptr=cptr;sptr=0\");for(var f=t.length-1;f>=0;--f){var d=t[f];0!==d&&a.push([\"for(i\",d,\"=0;i\",d,\"<n\",d,\";++i\",d,\"){\"].join(\"\"))}a.push(o(\"dptr\",\"scratch[sptr++]\"));for(var f=0;f<t.length;++f){var d=t[f];0!==d&&a.push(\"dptr+=d\"+d,\"}\")}}else a.push(\"scratch=\"+r(\"ptr\"),\"while((j-->left)&&(\"+r(\"cptr-s0\")+\">scratch)){\",o(\"cptr\",r(\"cptr-s0\")),\"cptr-=s0\",\"}\",o(\"cptr\",\"scratch\"));if(a.push(\"}\"),t.length>1&&u&&a.push(\"free(scratch)\"),a.push(\"} return \"+s),u){var p=new Function(\"malloc\",\"free\",a.join(\"\\n\"));return p(u[0],u[1])}var p=new Function(a.join(\"\\n\"));return p()}function a(t,e,r){function o(t){return[\"(offset+\",t,\"*s0)\"].join(\"\")}function a(t){return\"generic\"===e?[\"data.get(\",t,\")\"].join(\"\"):[\"data[\",t,\"]\"].join(\"\")}function s(t,r){return\"generic\"===e?[\"data.set(\",t,\",\",r,\")\"].join(\"\"):[\"data[\",t,\"]=\",r].join(\"\")}function l(e,r,n){if(1===e.length)_.push(\"ptr0=\"+o(e[0]));else for(var i=0;i<e.length;++i)_.push([\"b_ptr\",i,\"=s0*\",e[i]].join(\"\"));r&&_.push(\"pivot_ptr=0\"),_.push(\"ptr_shift=offset\");for(var i=t.length-1;i>=0;--i){var a=t[i];0!==a&&_.push([\"for(i\",a,\"=0;i\",a,\"<n\",a,\";++i\",a,\"){\"].join(\"\"))}if(e.length>1)for(var i=0;i<e.length;++i)_.push([\"ptr\",i,\"=b_ptr\",i,\"+ptr_shift\"].join(\"\"));_.push(n),r&&_.push(\"++pivot_ptr\");for(var i=0;i<t.length;++i){var a=t[i];0!==a&&(e.length>1?_.push(\"ptr_shift+=d\"+a):_.push(\"ptr0+=d\"+a),_.push(\"}\"))}}function c(e,r,n,i){if(1===r.length)_.push(\"ptr0=\"+o(r[0]));else{for(var a=0;a<r.length;++a)_.push([\"b_ptr\",a,\"=s0*\",r[a]].join(\"\"));_.push(\"ptr_shift=offset\")}n&&_.push(\"pivot_ptr=0\"),e&&_.push(e+\":\");for(var a=1;a<t.length;++a)_.push([\"for(i\",a,\"=0;i\",a,\"<n\",a,\";++i\",a,\"){\"].join(\"\"));if(r.length>1)for(var a=0;a<r.length;++a)_.push([\"ptr\",a,\"=b_ptr\",a,\"+ptr_shift\"].join(\"\"));_.push(i);for(var a=t.length-1;a>=1;--a)n&&_.push(\"pivot_ptr+=f\"+a),r.length>1?_.push(\"ptr_shift+=e\"+a):_.push(\"ptr0+=e\"+a),_.push(\"}\")}function h(){t.length>1&&k&&_.push(\"free(pivot1)\",\"free(pivot2)\")}function f(e,r){var n=\"el\"+e,i=\"el\"+r;if(t.length>1){var s=\"__l\"+ ++A;c(s,[n,i],!1,[\"comp=\",a(\"ptr0\"),\"-\",a(\"ptr1\"),\"\\n\",\"if(comp>0){tmp0=\",n,\";\",n,\"=\",i,\";\",i,\"=tmp0;break \",s,\"}\\n\",\"if(comp<0){break \",s,\"}\"].join(\"\"))}else _.push([\"if(\",a(o(n)),\">\",a(o(i)),\"){tmp0=\",n,\";\",n,\"=\",i,\";\",i,\"=tmp0}\"].join(\"\"))}function d(e,r){t.length>1?l([e,r],!1,s(\"ptr0\",a(\"ptr1\"))):_.push(s(o(e),a(o(r))))}function p(e,r,n){if(t.length>1){var i=\"__l\"+ ++A;c(i,[r],!0,[e,\"=\",a(\"ptr0\"),\"-pivot\",n,\"[pivot_ptr]\\n\",\"if(\",e,\"!==0){break \",i,\"}\"].join(\"\"))}else _.push([e,\"=\",a(o(r)),\"-pivot\",n].join(\"\"))}function v(e,r){t.length>1?l([e,r],!1,[\"tmp=\",a(\"ptr0\"),\"\\n\",s(\"ptr0\",a(\"ptr1\")),\"\\n\",s(\"ptr1\",\"tmp\")].join(\"\")):_.push([\"ptr0=\",o(e),\"\\n\",\"ptr1=\",o(r),\"\\n\",\"tmp=\",a(\"ptr0\"),\"\\n\",s(\"ptr0\",a(\"ptr1\")),\"\\n\",s(\"ptr1\",\"tmp\")].join(\"\"))}function m(e,r,n){t.length>1?(l([e,r,n],!1,[\"tmp=\",a(\"ptr0\"),\"\\n\",s(\"ptr0\",a(\"ptr1\")),\"\\n\",s(\"ptr1\",a(\"ptr2\")),\"\\n\",s(\"ptr2\",\"tmp\")].join(\"\")),_.push(\"++\"+r,\"--\"+n)):_.push([\"ptr0=\",o(e),\"\\n\",\"ptr1=\",o(r),\"\\n\",\"ptr2=\",o(n),\"\\n\",\"++\",r,\"\\n\",\"--\",n,\"\\n\",\"tmp=\",a(\"ptr0\"),\"\\n\",s(\"ptr0\",a(\"ptr1\")),\"\\n\",s(\"ptr1\",a(\"ptr2\")),\"\\n\",s(\"ptr2\",\"tmp\")].join(\"\"))}function g(t,e){v(t,e),_.push(\"--\"+e)}function y(e,r,n){t.length>1?l([e,r],!0,[s(\"ptr0\",a(\"ptr1\")),\"\\n\",s(\"ptr1\",[\"pivot\",n,\"[pivot_ptr]\"].join(\"\"))].join(\"\")):_.push(s(o(e),a(o(r))),s(o(r),\"pivot\"+n))}function b(e,r){_.push([\"if((\",r,\"-\",e,\")<=\",u,\"){\\n\",\"insertionSort(\",e,\",\",r,\",data,offset,\",i(t.length).join(\",\"),\")\\n\",\"}else{\\n\",w,\"(\",e,\",\",r,\",data,offset,\",i(t.length).join(\",\"),\")\\n\",\"}\"].join(\"\"))}function x(e,r,n){t.length>1?(_.push([\"__l\",++A,\":while(true){\"].join(\"\")),l([e],!0,[\"if(\",a(\"ptr0\"),\"!==pivot\",r,\"[pivot_ptr]){break __l\",A,\"}\"].join(\"\")),_.push(n,\"}\")):_.push([\"while(\",a(o(e)),\"===pivot\",r,\"){\",n,\"}\"].join(\"\"))}var _=[\"'use strict'\"],w=[\"ndarrayQuickSort\",t.join(\"d\"),e].join(\"\"),M=[\"left\",\"right\",\"data\",\"offset\"].concat(i(t.length)),k=n(e),A=0;_.push([\"function \",w,\"(\",M.join(\",\"),\"){\"].join(\"\"));var T=[\"sixth=((right-left+1)/6)|0\",\"index1=left+sixth\",\"index5=right-sixth\",\"index3=(left+right)>>1\",\"index2=index3-sixth\",\"index4=index3+sixth\",\"el1=index1\",\"el2=index2\",\"el3=index3\",\"el4=index4\",\"el5=index5\",\"less=left+1\",\"great=right-1\",\"pivots_are_equal=true\",\"tmp\",\"tmp0\",\"x\",\"y\",\"z\",\"k\",\"ptr0\",\"ptr1\",\"ptr2\",\"comp_pivot1=0\",\"comp_pivot2=0\",\"comp=0\"];if(t.length>1){for(var E=[],S=1;S<t.length;++S)E.push(\"n\"+S),T.push(\"i\"+S);for(var S=0;8>S;++S)T.push(\"b_ptr\"+S);T.push(\"ptr3\",\"ptr4\",\"ptr5\",\"ptr6\",\"ptr7\",\"pivot_ptr\",\"ptr_shift\",\"elementSize=\"+E.join(\"*\")),k?T.push(\"pivot1=malloc(elementSize)\",\"pivot2=malloc(elementSize)\"):T.push(\"pivot1=new Array(elementSize),pivot2=new Array(elementSize)\")}else T.push(\"pivot1\",\"pivot2\");if(_.push(\"var \"+T.join(\",\")),f(1,2),f(4,5),f(1,3),f(2,3),f(1,4),f(3,4),f(2,5),f(2,3),f(4,5),t.length>1?l([\"el1\",\"el2\",\"el3\",\"el4\",\"el5\",\"index1\",\"index3\",\"index5\"],!0,[\"pivot1[pivot_ptr]=\",a(\"ptr1\"),\"\\n\",\"pivot2[pivot_ptr]=\",a(\"ptr3\"),\"\\n\",\"pivots_are_equal=pivots_are_equal&&(pivot1[pivot_ptr]===pivot2[pivot_ptr])\\n\",\"x=\",a(\"ptr0\"),\"\\n\",\"y=\",a(\"ptr2\"),\"\\n\",\"z=\",a(\"ptr4\"),\"\\n\",s(\"ptr5\",\"x\"),\"\\n\",s(\"ptr6\",\"y\"),\"\\n\",s(\"ptr7\",\"z\")].join(\"\")):_.push([\"pivot1=\",a(o(\"el2\")),\"\\n\",\"pivot2=\",a(o(\"el4\")),\"\\n\",\"pivots_are_equal=pivot1===pivot2\\n\",\"x=\",a(o(\"el1\")),\"\\n\",\"y=\",a(o(\"el3\")),\"\\n\",\"z=\",a(o(\"el5\")),\"\\n\",s(o(\"index1\"),\"x\"),\"\\n\",s(o(\"index3\"),\"y\"),\"\\n\",s(o(\"index5\"),\"z\")].join(\"\")),d(\"index2\",\"left\"),d(\"index4\",\"right\"),_.push(\"if(pivots_are_equal){\"),_.push(\"for(k=less;k<=great;++k){\"),p(\"comp\",\"k\",1),_.push(\"if(comp===0){continue}\"),_.push(\"if(comp<0){\"),_.push(\"if(k!==less){\"),v(\"k\",\"less\"),_.push(\"}\"),_.push(\"++less\"),_.push(\"}else{\"),_.push(\"while(true){\"),p(\"comp\",\"great\",1),_.push(\"if(comp>0){\"),_.push(\"great--\"),_.push(\"}else if(comp<0){\"),m(\"k\",\"less\",\"great\"),_.push(\"break\"),_.push(\"}else{\"),g(\"k\",\"great\"),_.push(\"break\"),_.push(\"}\"),_.push(\"}\"),_.push(\"}\"),_.push(\"}\"),_.push(\"}else{\"),_.push(\"for(k=less;k<=great;++k){\"),p(\"comp_pivot1\",\"k\",1),_.push(\"if(comp_pivot1<0){\"),_.push(\"if(k!==less){\"),v(\"k\",\"less\"),_.push(\"}\"),_.push(\"++less\"),_.push(\"}else{\"),p(\"comp_pivot2\",\"k\",2),_.push(\"if(comp_pivot2>0){\"),_.push(\"while(true){\"),p(\"comp\",\"great\",2),_.push(\"if(comp>0){\"),_.push(\"if(--great<k){break}\"),_.push(\"continue\"),_.push(\"}else{\"),p(\"comp\",\"great\",1),_.push(\"if(comp<0){\"),m(\"k\",\"less\",\"great\"),_.push(\"}else{\"),g(\"k\",\"great\"),_.push(\"}\"),_.push(\"break\"),_.push(\"}\"),_.push(\"}\"),_.push(\"}\"),_.push(\"}\"),_.push(\"}\"),_.push(\"}\"),y(\"left\",\"(less-1)\",1),y(\"right\",\"(great+1)\",2),b(\"left\",\"(less-2)\"),b(\"(great+2)\",\"right\"),_.push(\"if(pivots_are_equal){\"),h(),_.push(\"return\"),_.push(\"}\"),_.push(\"if(less<index1&&great>index5){\"),x(\"less\",1,\"++less\"),x(\"great\",2,\"--great\"),_.push(\"for(k=less;k<=great;++k){\"),p(\"comp_pivot1\",\"k\",1),_.push(\"if(comp_pivot1===0){\"),_.push(\"if(k!==less){\"),v(\"k\",\"less\"),_.push(\"}\"),_.push(\"++less\"),_.push(\"}else{\"),p(\"comp_pivot2\",\"k\",2),_.push(\"if(comp_pivot2===0){\"),_.push(\"while(true){\"),p(\"comp\",\"great\",2),_.push(\"if(comp===0){\"),_.push(\"if(--great<k){break}\"),_.push(\"continue\"),_.push(\"}else{\"),p(\"comp\",\"great\",1),_.push(\"if(comp<0){\"),m(\"k\",\"less\",\"great\"),_.push(\"}else{\"),g(\"k\",\"great\"),_.push(\"}\"),_.push(\"break\"),_.push(\"}\"),_.push(\"}\"),_.push(\"}\"),_.push(\"}\"),_.push(\"}\"),_.push(\"}\"),h(),b(\"less\",\"great\"),_.push(\"}return \"+w),t.length>1&&k){var L=new Function(\"insertionSort\",\"malloc\",\"free\",_.join(\"\\n\"));return L(r,k[0],k[1])}var L=new Function(\"insertionSort\",_.join(\"\\n\"));return L(r)}function s(t,e){var r=[\"'use strict'\"],n=[\"ndarraySortWrapper\",t.join(\"d\"),e].join(\"\"),s=[\"array\"];r.push([\"function \",n,\"(\",s.join(\",\"),\"){\"].join(\"\"));for(var l=[\"data=array.data,offset=array.offset|0,shape=array.shape,stride=array.stride\"],c=0;c<t.length;++c)l.push([\"s\",c,\"=stride[\",c,\"]|0,n\",c,\"=shape[\",c,\"]|0\"].join(\"\"));for(var h=new Array(t.length),f=[],c=0;c<t.length;++c){var d=t[c];0!==d&&(0===f.length?h[d]=\"1\":h[d]=f.join(\"*\"),f.push(\"n\"+d))}for(var p=-1,v=-1,c=0;c<t.length;++c){var m=t[c];0!==m&&(p>0?l.push([\"d\",m,\"=s\",m,\"-d\",p,\"*n\",p].join(\"\")):l.push([\"d\",m,\"=s\",m].join(\"\")),p=m);var d=t.length-1-c;0!==d&&(v>0?l.push([\"e\",d,\"=s\",d,\"-e\",v,\"*n\",v,\",f\",d,\"=\",h[d],\"-f\",v,\"*n\",v].join(\"\")):l.push([\"e\",d,\"=s\",d,\",f\",d,\"=\",h[d]].join(\"\")),v=d)}r.push(\"var \"+l.join(\",\"));var g=[\"0\",\"n0-1\",\"data\",\"offset\"].concat(i(t.length));r.push([\"if(n0<=\",u,\"){\",\"insertionSort(\",g.join(\",\"),\")}else{\",\"quickSort(\",g.join(\",\"),\")}\"].join(\"\")),r.push(\"}return \"+n);var y=new Function(\"insertionSort\",\"quickSort\",r.join(\"\\n\")),b=o(t,e),x=a(t,e,b);return y(b,x)}var l=t(\"typedarray-pool\"),u=32;e.exports=s},{\"typedarray-pool\":458}],164:[function(t,e,r){\"use strict\";function n(t){var e=t.order,r=t.dtype,n=[e,r],a=n.join(\":\"),s=o[a];return s||(o[a]=s=i(e,r)),s(t),t}var i=t(\"./lib/compile_sort.js\"),o={};e.exports=n},{\"./lib/compile_sort.js\":163}],165:[function(t,e,r){\"use strict\";function n(t,e,r){this.plot=t,this.vbo=e,this.shader=r}function i(t){var e=t.gl,r=o(e,[0,0,0,1,1,0,1,1]),i=a(e,s.boxVert,s.lineFrag);return new n(t,r,i)}e.exports=i;var o=t(\"gl-buffer\"),a=t(\"gl-shader\"),s=t(\"./shaders\"),l=n.prototype;l.bind=function(){var t=this.shader;this.vbo.bind(),this.shader.bind(),t.attributes.coord.pointer(),t.uniforms.screenBox=this.plot.screenBox},l.drawBox=function(){var t=[0,0],e=[0,0];return function(r,n,i,o,a){var s=this.plot,l=this.shader,u=s.gl;t[0]=r,t[1]=n,e[0]=i,e[1]=o,l.uniforms.lo=t,l.uniforms.hi=e,l.uniforms.color=a,u.drawArrays(u.TRIANGLE_STRIP,0,4)}}(),l.dispose=function(){this.vbo.dispose(),this.shader.dispose()}},{\"./shaders\":168,\"gl-buffer\":124,\"gl-shader\":203}],166:[function(t,e,r){\"use strict\";function n(t,e,r,n){this.plot=t,this.vbo=e,this.shader=r,this.tickShader=n,this.ticks=[[],[]]}function i(t,e){return t-e}function o(t){var e=t.gl,r=a(e),i=s(e,u.gridVert,u.gridFrag),o=s(e,u.tickVert,u.gridFrag),l=new n(t,r,i,o);return l}e.exports=o;var a=t(\"gl-buffer\"),s=t(\"gl-shader\"),l=t(\"binary-search-bounds\"),u=t(\"./shaders\"),c=n.prototype;c.draw=function(){var t=[0,0],e=[0,0],r=[0,0];return function(){for(var n=this.plot,i=this.vbo,o=this.shader,a=this.ticks,s=n.gl,l=n._tickBounds,u=n.dataBox,c=n.viewBox,h=n.gridLineWidth,f=n.gridLineColor,d=n.gridLineEnable,p=n.pixelRatio,v=0;2>v;++v){var m=l[v],g=l[v+2],y=g-m,b=.5*(u[v+2]+u[v]),x=u[v+2]-u[v];e[v]=2*y/x,t[v]=2*(m-b)/x}o.bind(),i.bind(),o.attributes.dataCoord.pointer(),o.uniforms.dataShift=t,o.uniforms.dataScale=e;for(var _=0,v=0;2>v;++v){r[0]=r[1]=0,r[v]=1,o.uniforms.dataAxis=r,o.uniforms.lineWidth=h[v]/(c[v+2]-c[v])*p,o.uniforms.color=f[v];var w=6*a[v].length;d[v]&&w&&s.drawArrays(s.TRIANGLES,_,w),_+=w}}}(),c.drawTickMarks=function(){var t=[0,0],e=[0,0],r=[1,0],n=[0,1],o=[0,0],a=[0,0];return function(){for(var s=this.plot,u=this.vbo,c=this.tickShader,h=this.ticks,f=s.gl,d=s._tickBounds,p=s.dataBox,v=s.viewBox,m=s.pixelRatio,g=s.screenBox,y=g[2]-g[0],b=g[3]-g[1],x=v[2]-v[0],_=v[3]-v[1],w=0;2>w;++w){var M=d[w],k=d[w+2],A=k-M,T=.5*(p[w+2]+p[w]),E=p[w+2]-p[w];e[w]=2*A/E,t[w]=2*(M-T)/E}e[0]*=x/y,t[0]*=x/y,e[1]*=_/b,t[1]*=_/b,c.bind(),u.bind(),c.attributes.dataCoord.pointer();var S=c.uniforms;S.dataShift=t,S.dataScale=e;var L=s.tickMarkLength,z=s.tickMarkWidth,I=s.tickMarkColor,P=0,C=6*h[0].length,R=Math.min(l.ge(h[0],(p[0]-d[0])/(d[2]-d[0]),i),h[0].length),D=Math.min(l.gt(h[0],(p[2]-d[0])/(d[2]-d[0]),i),h[0].length),O=P+6*R,F=6*Math.max(0,D-R),j=Math.min(l.ge(h[1],(p[1]-d[1])/(d[3]-d[1]),i),h[1].length),N=Math.min(l.gt(h[1],(p[3]-d[1])/(d[3]-d[1]),i),h[1].length),B=C+6*j,U=6*Math.max(0,N-j);o[0]=2*(v[0]-L[1])/y-1,o[1]=(v[3]+v[1])/b-1,a[0]=L[1]*m/y,a[1]=z[1]*m/b,U&&(S.color=I[1],S.tickScale=a,S.dataAxis=n,S.screenOffset=o,f.drawArrays(f.TRIANGLES,B,U)),o[0]=(v[2]+v[0])/y-1,o[1]=2*(v[1]-L[0])/b-1,a[0]=z[0]*m/y,a[1]=L[0]*m/b,F&&(S.color=I[0],S.tickScale=a,S.dataAxis=r,S.screenOffset=o,f.drawArrays(f.TRIANGLES,O,F)),o[0]=2*(v[2]+L[3])/y-1,o[1]=(v[3]+v[1])/b-1,a[0]=L[3]*m/y,a[1]=z[3]*m/b,U&&(S.color=I[3],S.tickScale=a,S.dataAxis=n,S.screenOffset=o,f.drawArrays(f.TRIANGLES,B,U)),o[0]=(v[2]+v[0])/y-1,o[1]=2*(v[3]+L[2])/b-1,a[0]=z[2]*m/y,a[1]=L[2]*m/b,F&&(S.color=I[2],S.tickScale=a,S.dataAxis=r,S.screenOffset=o,f.drawArrays(f.TRIANGLES,O,F))}}(),c.update=function(){var t=[1,1,-1,-1,1,-1],e=[1,-1,1,1,-1,-1];return function(r){for(var n=r.ticks,i=r.bounds,o=new Float32Array(18*(n[0].length+n[1].length)),a=(this.plot.zeroLineEnable,0),s=[[],[]],l=0;2>l;++l)for(var u=s[l],c=n[l],h=i[l],f=i[l+2],d=0;d<c.length;++d){var p=(c[d].x-h)/(f-h);u.push(p);for(var v=0;6>v;++v)o[a++]=p,o[a++]=t[v],o[a++]=e[v]}this.ticks=s,this.vbo.update(o)}}(),c.dispose=function(){this.vbo.dispose(),this.shader.dispose(),this.tickShader.dispose()}},{\"./shaders\":168,\"binary-search-bounds\":170,\"gl-buffer\":124,\"gl-shader\":203}],167:[function(t,e,r){\"use strict\";function n(t,e,r){this.plot=t,this.vbo=e,this.shader=r}function i(t){var e=t.gl,r=o(e,[-1,-1,-1,1,1,-1,1,1]),i=a(e,s.lineVert,s.lineFrag),l=new n(t,r,i);return l}e.exports=i;var o=t(\"gl-buffer\"),a=t(\"gl-shader\"),s=t(\"./shaders\"),l=n.prototype;l.bind=function(){var t=this.shader;this.vbo.bind(),this.shader.bind(),t.attributes.coord.pointer(),t.uniforms.screenBox=this.plot.screenBox},l.drawLine=function(){var t=[0,0],e=[0,0];return function(r,n,i,o,a,s){var l=this.plot,u=this.shader,c=l.gl;t[0]=r,t[1]=n,e[0]=i,e[1]=o,u.uniforms.start=t,u.uniforms.end=e,u.uniforms.width=a*l.pixelRatio,u.uniforms.color=s,c.drawArrays(c.TRIANGLE_STRIP,0,4)}}(),l.dispose=function(){this.vbo.dispose(),this.shader.dispose()}},{\"./shaders\":168,\"gl-buffer\":124,\"gl-shader\":203}],168:[function(t,e,r){\"use strict\";var n=\"precision lowp float;\\n#define GLSLIFY 1\\nuniform vec4 color;\\nvoid main() {\\n  gl_FragColor = vec4(color.xyz * color.w, color.w);\\n}\\n\";e.exports={lineVert:\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec2 coord;\\n\\nuniform vec4 screenBox;\\nuniform vec2 start, end;\\nuniform float width;\\n\\nvec2 perp(vec2 v) {\\n  return vec2(v.y, -v.x);\\n}\\n\\nvec2 screen(vec2 v) {\\n  return 2.0 * (v - screenBox.xy) / (screenBox.zw - screenBox.xy) - 1.0;\\n}\\n\\nvoid main() {\\n  vec2 delta = normalize(perp(start - end));\\n  vec2 offset = mix(start, end, 0.5 * (coord.y+1.0));\\n  gl_Position = vec4(screen(offset + 0.5 * width * delta * coord.x), 0, 1);\\n}\\n\",lineFrag:n,textVert:\"#define GLSLIFY 1\\nattribute vec3 textCoordinate;\\n\\nuniform vec2 dataScale, dataShift, dataAxis, screenOffset, textScale;\\nuniform float angle;\\n\\nvoid main() {\\n  float dataOffset  = textCoordinate.z;\\n  vec2 glyphOffset  = textCoordinate.xy;\\n  mat2 glyphMatrix = mat2(cos(angle), sin(angle), -sin(angle), cos(angle));\\n  vec2 screenCoordinate = dataAxis * (dataScale * dataOffset + dataShift) +\\n    glyphMatrix * glyphOffset * textScale + screenOffset;\\n  gl_Position = vec4(screenCoordinate, 0, 1);\\n}\\n\",\ntextFrag:n,gridVert:\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec3 dataCoord;\\n\\nuniform vec2 dataAxis, dataShift, dataScale;\\nuniform float lineWidth;\\n\\nvoid main() {\\n  vec2 pos = dataAxis * (dataScale * dataCoord.x + dataShift);\\n  pos += 10.0 * dataCoord.y * vec2(dataAxis.y, -dataAxis.x) + dataCoord.z * lineWidth;\\n  gl_Position = vec4(pos, 0, 1);\\n}\\n\",gridFrag:n,boxVert:\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec2 coord;\\n\\nuniform vec4 screenBox;\\nuniform vec2 lo, hi;\\n\\nvec2 screen(vec2 v) {\\n  return 2.0 * (v - screenBox.xy) / (screenBox.zw - screenBox.xy) - 1.0;\\n}\\n\\nvoid main() {\\n  gl_Position = vec4(screen(mix(lo, hi, coord)), 0, 1);\\n}\\n\",tickVert:\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec3 dataCoord;\\n\\nuniform vec2 dataAxis, dataShift, dataScale, screenOffset, tickScale;\\n\\nvoid main() {\\n  vec2 pos = dataAxis * (dataScale * dataCoord.x + dataShift);\\n  gl_Position = vec4(pos + tickScale*dataCoord.yz + screenOffset, 0, 1);\\n}\\n\"}},{}],169:[function(t,e,r){\"use strict\";function n(t,e,r){this.plot=t,this.vbo=e,this.shader=r,this.tickOffset=[[],[]],this.tickX=[[],[]],this.labelOffset=[0,0],this.labelCount=[0,0]}function i(t){var e=t.gl,r=o(e),i=a(e,u.textVert,u.textFrag),s=new n(t,r,i);return s}e.exports=i;var o=t(\"gl-buffer\"),a=t(\"gl-shader\"),s=t(\"text-cache\"),l=t(\"binary-search-bounds\"),u=t(\"./shaders\"),c=n.prototype;c.drawTicks=function(){var t=[0,0],e=[0,0],r=[0,0];return function(n){var i=this.plot,o=this.shader,a=this.tickX[n],s=this.tickOffset[n],u=i.gl,c=i.viewBox,h=i.dataBox,f=i.screenBox,d=i.pixelRatio,p=i.tickEnable,v=i.tickPad,m=i.tickColor,g=i.tickAngle,y=(i.tickMarkLength,i.labelEnable),b=i.labelPad,x=i.labelColor,_=i.labelAngle,w=this.labelOffset[n],M=this.labelCount[n],k=l.lt(a,h[n]),A=l.le(a,h[n+2]);t[0]=t[1]=0,t[n]=1,e[n]=(c[2+n]+c[n])/(f[2+n]-f[n])-1;var T=2/f[2+(1^n)]-f[1^n];e[1^n]=T*c[1^n]-1,p[n]&&(e[1^n]-=T*d*v[n],A>k&&s[A]>s[k]&&(o.uniforms.dataAxis=t,o.uniforms.screenOffset=e,o.uniforms.color=m[n],o.uniforms.angle=g[n],u.drawArrays(u.TRIANGLES,s[k],s[A]-s[k]))),y[n]&&M&&(e[1^n]-=T*d*b[n],o.uniforms.dataAxis=r,o.uniforms.screenOffset=e,o.uniforms.color=x[n],o.uniforms.angle=_[n],u.drawArrays(u.TRIANGLES,w,M)),e[1^n]=T*c[2+(1^n)]-1,p[n+2]&&(e[1^n]+=T*d*v[n+2],A>k&&s[A]>s[k]&&(o.uniforms.dataAxis=t,o.uniforms.screenOffset=e,o.uniforms.color=m[n+2],o.uniforms.angle=g[n+2],u.drawArrays(u.TRIANGLES,s[k],s[A]-s[k]))),y[n+2]&&M&&(e[1^n]+=T*d*b[n+2],o.uniforms.dataAxis=r,o.uniforms.screenOffset=e,o.uniforms.color=x[n+2],o.uniforms.angle=_[n+2],u.drawArrays(u.TRIANGLES,w,M))}}(),c.drawTitle=function(){var t=[0,0],e=[0,0];return function(){var r=this.plot,n=this.shader,i=r.gl,o=r.screenBox,a=r.titleCenter,s=r.titleAngle,l=r.titleColor,a=r.titleCenter,u=r.pixelRatio;if(this.titleCount){for(var c=0;2>c;++c)e[c]=2*(a[c]*u-o[c])/(o[2+c]-o[c])-1;n.bind(),n.uniforms.dataAxis=t,n.uniforms.screenOffset=e,n.uniforms.angle=s,n.uniforms.color=l,i.drawArrays(i.TRIANGLES,this.titleOffset,this.titleCount)}}}(),c.bind=function(){var t=[0,0],e=[0,0],r=[0,0];return function(){var n=this.plot,i=this.shader,o=n._tickBounds,a=n.dataBox,s=n.screenBox,l=n.viewBox;i.bind();for(var u=0;2>u;++u){var c=o[u],h=o[u+2],f=h-c,d=.5*(a[u+2]+a[u]),p=a[u+2]-a[u],v=l[u],m=l[u+2],g=m-v,y=s[u],b=s[u+2],x=b-y;e[u]=2*f/p*g/x,t[u]=2*(c-d)/p*g/x}r[1]=2*n.pixelRatio/(s[3]-s[1]),r[0]=r[1]*(s[3]-s[1])/(s[2]-s[0]),i.uniforms.dataScale=e,i.uniforms.dataShift=t,i.uniforms.textScale=r,this.vbo.bind(),i.attributes.textCoordinate.pointer()}}(),c.update=function(t){for(var e=[],r=t.ticks,n=t.bounds,i=0;2>i;++i){for(var o=[Math.floor(e.length/3)],a=[-(1/0)],l=r[i],u=0;u<l.length;++u){for(var c=l[u],h=c.x,f=c.text,d=c.font||\"sans-serif\",p=c.fontSize||12,v=s(d,f).data,m=1/(n[i+2]-n[i]),g=n[i],y=0;y<v.length;y+=2)e.push(v[y]*p,-v[y+1]*p,(h-g)*m);o.push(Math.floor(e.length/3)),a.push(h)}this.tickOffset[i]=o,this.tickX[i]=a}for(var i=0;2>i;++i){this.labelOffset[i]=Math.floor(e.length/3);for(var v=s(t.labelFont[i],t.labels[i]).data,p=t.labelSize[i],u=0;u<v.length;u+=2)e.push(v[u]*p,-v[u+1]*p,0);this.labelCount[i]=Math.floor(e.length/3)-this.labelOffset[i]}this.titleOffset=Math.floor(e.length/3);for(var v=s(t.titleFont,t.title).data,p=t.titleSize,u=0;u<v.length;u+=2)e.push(v[u]*p,-v[u+1]*p,0);this.titleCount=Math.floor(e.length/3)-this.titleOffset,this.vbo.update(e)},c.dispose=function(){this.vbo.dispose(),this.shader.dispose()}},{\"./shaders\":168,\"binary-search-bounds\":170,\"gl-buffer\":124,\"gl-shader\":203,\"text-cache\":453}],170:[function(t,e,r){arguments[4][68][0].apply(r,arguments)},{dup:68}],171:[function(t,e,r){\"use strict\";function n(t,e){this.gl=t,this.pickBuffer=e,this.screenBox=[0,0,t.drawingBufferWidth,t.drawingBufferHeight],this.viewBox=[0,0,0,0],this.dataBox=[-10,-10,10,10],this.gridLineEnable=[!0,!0],this.gridLineWidth=[1,1],this.gridLineColor=[[0,0,0,1],[0,0,0,1]],this.pixelRatio=1,this.tickMarkLength=[0,0,0,0],this.tickMarkWidth=[0,0,0,0],this.tickMarkColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.tickPad=[15,15,15,15],this.tickAngle=[0,0,0,0],this.tickEnable=[!0,!0,!0,!0],this.tickColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.labelPad=[15,15,15,15],this.labelAngle=[0,Math.PI/2,0,3*Math.PI/2],this.labelEnable=[!0,!0,!0,!0],this.labelColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.titleCenter=[0,0],this.titleEnable=!0,this.titleAngle=0,this.titleColor=[0,0,0,1],this.borderColor=[0,0,0,0],this.backgroundColor=[0,0,0,0],this.zeroLineEnable=[!0,!0],this.zeroLineWidth=[4,4],this.zeroLineColor=[[0,0,0,1],[0,0,0,1]],this.borderLineEnable=[!0,!0,!0,!0],this.borderLineWidth=[2,2,2,2],this.borderLineColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.grid=null,this.text=null,this.line=null,this.box=null,this.objects=[],this.overlays=[],this._tickBounds=[1/0,1/0,-(1/0),-(1/0)],this.dirty=!1,this.pickDirty=!1,this.pickDelay=120,this.pickRadius=10,this._pickTimeout=null,this._drawPick=this.drawPick.bind(this),this._depthCounter=0}function i(t){for(var e=t.slice(),r=0;r<e.length;++r)e[r]=e[r].slice();return e}function o(t,e){return t.x-e.x}function a(t){var e=t.gl,r=s(e,[e.drawingBufferWidth,e.drawingBufferHeight]),i=new n(e,r);return i.grid=l(i),i.text=u(i),i.line=c(i),i.box=h(i),i.update(t),i}e.exports=a;var s=t(\"gl-select-static\"),l=t(\"./lib/grid\"),u=t(\"./lib/text\"),c=t(\"./lib/line\"),h=t(\"./lib/box\"),f=n.prototype;f.setDirty=function(){this.dirty=this.pickDirty=!0},f.setOverlayDirty=function(){this.dirty=!0},f.nextDepthValue=function(){return this._depthCounter++/65536},f.draw=function(){return function(){var t=this.gl,e=this.screenBox,r=this.viewBox,n=this.dataBox,i=this.pixelRatio,o=this.grid,a=this.line,s=this.text,l=this.objects;if(this._depthCounter=0,this.pickDirty&&(this._pickTimeout&&clearTimeout(this._pickTimeout),this.pickDirty=!1,this._pickTimeout=setTimeout(this._drawPick,this.pickDelay)),this.dirty){this.dirty=!1,t.bindFramebuffer(t.FRAMEBUFFER,null),t.enable(t.SCISSOR_TEST),t.disable(t.DEPTH_TEST),t.depthFunc(t.LESS),t.depthMask(!1),t.enable(t.BLEND),t.blendEquation(t.FUNC_ADD,t.FUNC_ADD),t.blendFunc(t.ONE,t.ONE_MINUS_SRC_ALPHA),t.scissor(e[0],e[1],e[2]-e[0],e[3]-e[1]);var u=this.borderColor;t.clearColor(u[0]*u[3],u[1]*u[3],u[2]*u[3],u[3]),t.clear(t.COLOR_BUFFER_BIT|t.DEPTH_BUFFER_BIT),t.scissor(r[0],r[1],r[2]-r[0],r[3]-r[1]),t.viewport(r[0],r[1],r[2]-r[0],r[3]-r[1]);var c=this.backgroundColor;t.clearColor(c[0]*c[3],c[1]*c[3],c[2]*c[3],c[3]),t.clear(t.COLOR_BUFFER_BIT),o.draw();var h=this.zeroLineEnable,f=this.zeroLineColor,d=this.zeroLineWidth;if(h[0]||h[1]){a.bind();for(var p=0;2>p;++p)if(h[p]&&n[p]<=0&&n[p+2]>=0){var v=e[p]-n[p]*(e[p+2]-e[p])/(n[p+2]-n[p]);0===p?a.drawLine(v,e[1],v,e[3],d[p],f[p]):a.drawLine(e[0],v,e[2],v,d[p],f[p])}}for(var p=0;p<l.length;++p)l[p].draw();t.viewport(e[0],e[1],e[2]-e[0],e[3]-e[1]),t.scissor(e[0],e[1],e[2]-e[0],e[3]-e[1]),this.grid.drawTickMarks(),a.bind();var m=this.borderLineEnable,g=this.borderLineWidth,y=this.borderLineColor;m[1]&&a.drawLine(r[0],r[1]-.5*g[1]*i,r[0],r[3]+.5*g[3]*i,g[1],y[1]),m[0]&&a.drawLine(r[0]-.5*g[0]*i,r[1],r[2]+.5*g[2]*i,r[1],g[0],y[0]),m[3]&&a.drawLine(r[2],r[1]-.5*g[1]*i,r[2],r[3]+.5*g[3]*i,g[3],y[3]),m[2]&&a.drawLine(r[0]-.5*g[0]*i,r[3],r[2]+.5*g[2]*i,r[3],g[2],y[2]),s.bind();for(var p=0;2>p;++p)s.drawTicks(p);this.titleEnable&&s.drawTitle();for(var b=this.overlays,p=0;p<b.length;++p)b[p].draw();t.disable(t.SCISSOR_TEST),t.disable(t.BLEND),t.depthMask(!0)}}}(),f.drawPick=function(){return function(){var t=this.pickBuffer;this.gl;this._pickTimeout=null,t.begin();for(var e=1,r=this.objects,n=0;n<r.length;++n)e=r[n].drawPick(e);t.end()}}(),f.pick=function(){return function(t,e){var r=this.pixelRatio,n=this.pickPixelRatio,i=this.viewBox,o=0|Math.round((t-i[0]/r)*n),a=0|Math.round((e-i[1]/r)*n),s=this.pickBuffer.query(o,a,this.pickRadius);if(!s)return null;for(var l=s.id+(s.value[0]<<8)+(s.value[1]<<16)+(s.value[2]<<24),u=this.objects,c=0;c<u.length;++c){var h=u[c].pick(o,a,l);if(h)return h}return null}}(),f.setScreenBox=function(t){var e=this.screenBox,r=this.pixelRatio;e[0]=0|Math.round(t[0]*r),e[1]=0|Math.round(t[1]*r),e[2]=0|Math.round(t[2]*r),e[3]=0|Math.round(t[3]*r),this.setDirty()},f.setDataBox=function(t){var e=this.dataBox,r=e[0]!==t[0]||e[1]!==t[1]||e[2]!==t[2]||e[3]!==t[3];r&&(e[0]=t[0],e[1]=t[1],e[2]=t[2],e[3]=t[3],this.setDirty())},f.setViewBox=function(t){var e=this.pixelRatio,r=this.viewBox;r[0]=0|Math.round(t[0]*e),r[1]=0|Math.round(t[1]*e),r[2]=0|Math.round(t[2]*e),r[3]=0|Math.round(t[3]*e);var n=this.pickPixelRatio;this.pickBuffer.shape=[0|Math.round((t[2]-t[0])*n),0|Math.round((t[3]-t[1])*n)],this.setDirty()},f.update=function(t){t=t||{};var e=this.gl;this.pixelRatio=t.pixelRatio||1;var r=this.pixelRatio;this.pickPixelRatio=Math.max(r,1),this.setScreenBox(t.screenBox||[0,0,e.drawingBufferWidth/r,e.drawingBufferHeight/r]);this.screenBox;this.setViewBox(t.viewBox||[.125*(this.screenBox[2]-this.screenBox[0])/r,.125*(this.screenBox[3]-this.screenBox[1])/r,.875*(this.screenBox[2]-this.screenBox[0])/r,.875*(this.screenBox[3]-this.screenBox[1])/r]);var n=this.viewBox,a=(n[2]-n[0])/(n[3]-n[1]);this.setDataBox(t.dataBox||[-10,-10/a,10,10/a]),this.borderColor=(t.borderColor||[0,0,0,0]).slice(),this.backgroundColor=(t.backgroundColor||[0,0,0,0]).slice(),this.gridLineEnable=(t.gridLineEnable||[!0,!0]).slice(),this.gridLineWidth=(t.gridLineWidth||[1,1]).slice(),this.gridLineColor=i(t.gridLineColor||[[.5,.5,.5,1],[.5,.5,.5,1]]),this.zeroLineEnable=(t.zeroLineEnable||[!0,!0]).slice(),this.zeroLineWidth=(t.zeroLineWidth||[4,4]).slice(),this.zeroLineColor=i(t.zeroLineColor||[[0,0,0,1],[0,0,0,1]]),this.tickMarkLength=(t.tickMarkLength||[0,0,0,0]).slice(),this.tickMarkWidth=(t.tickMarkWidth||[0,0,0,0]).slice(),this.tickMarkColor=i(t.tickMarkColor||[[0,0,0,1],[0,0,0,1],[0,0,0,1],[0,0,0,1]]),this.titleCenter=(t.titleCenter||[.5*(n[0]+n[2])/r,(n[3]+120)/r]).slice(),this.titleEnable=!(\"titleEnable\"in t&&!t.titleEnable),this.titleAngle=t.titleAngle||0,this.titleColor=(t.titleColor||[0,0,0,1]).slice(),this.labelPad=(t.labelPad||[15,15,15,15]).slice(),this.labelAngle=(t.labelAngle||[0,Math.PI/2,0,3*Math.PI/2]).slice(),this.labelEnable=(t.labelEnable||[!0,!0,!0,!0]).slice(),this.labelColor=i(t.labelColor||[[0,0,0,1],[0,0,0,1],[0,0,0,1],[0,0,0,1]]),this.tickPad=(t.tickPad||[15,15,15,15]).slice(),this.tickAngle=(t.tickAngle||[0,0,0,0]).slice(),this.tickEnable=(t.tickEnable||[!0,!0,!0,!0]).slice(),this.tickColor=i(t.tickColor||[[0,0,0,1],[0,0,0,1],[0,0,0,1],[0,0,0,1]]),this.borderLineEnable=(t.borderLineEnable||[!0,!0,!0,!0]).slice(),this.borderLineWidth=(t.borderLineWidth||[2,2,2,2]).slice(),this.borderLineColor=i(t.borderLineColor||[[0,0,0,1],[0,0,0,1],[0,0,0,1],[0,0,0,1]]);var s=t.ticks||[[],[]],l=this._tickBounds;l[0]=l[1]=1/0,l[2]=l[3]=-(1/0);for(var u=0;2>u;++u){var c=s[u].slice(0);0!==c.length&&(c.sort(o),l[u]=Math.min(l[u],c[0].x),l[u+2]=Math.max(l[u+2],c[c.length-1].x))}this.grid.update({bounds:l,ticks:s}),this.text.update({bounds:l,ticks:s,labels:t.labels||[\"x\",\"y\"],labelSize:t.labelSize||[12,12],labelFont:t.labelFont||[\"sans-serif\",\"sans-serif\"],title:t.title||\"\",titleSize:t.titleSize||18,titleFont:t.titleFont||\"sans-serif\"}),this.setDirty()},f.dispose=function(){this.box.dispose(),this.grid.dispose(),this.text.dispose(),this.line.dispose();for(var t=this.objects.length-1;t>=0;--t)this.objects[t].dispose();this.objects.length=0;for(var t=this.overlays.length-1;t>=0;--t)this.overlays[t].dispose();this.overlays.length=0,this.gl=null},f.addObject=function(t){this.objects.indexOf(t)<0&&(this.objects.push(t),this.setDirty())},f.removeObject=function(t){for(var e=this.objects,r=0;r<e.length;++r)if(e[r]===t){e.splice(r,1),this.setDirty();break}},f.addOverlay=function(t){this.overlays.indexOf(t)<0&&(this.overlays.push(t),this.setOverlayDirty())},f.removeOverlay=function(t){for(var e=this.overlays,r=0;r<e.length;++r)if(e[r]===t){e.splice(r,1),this.setOverlayDirty();break}}},{\"./lib/box\":165,\"./lib/grid\":166,\"./lib/line\":167,\"./lib/text\":169,\"gl-select-static\":202}],172:[function(t,e,r){var n=t(\"gl-shader\"),i=\"precision mediump float;\\n#define GLSLIFY 1\\nattribute vec2 position;\\nvarying vec2 uv;\\nvoid main() {\\n  uv = position;\\n  gl_Position = vec4(position, 0, 1);\\n}\",o=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nuniform sampler2D accumBuffer;\\nvarying vec2 uv;\\n\\nvoid main() {\\n  vec4 accum = texture2D(accumBuffer, 0.5 * (uv + 1.0));\\n  gl_FragColor = min(vec4(1,1,1,1), accum);\\n}\";e.exports=function(t){return n(t,i,o,null,[{name:\"position\",type:\"vec2\"}])}},{\"gl-shader\":203}],173:[function(t,e,r){\"use strict\";function n(t,e){t=t||document.body,e=e||{};var r=[.01,1/0];\"distanceLimits\"in e&&(r[0]=e.distanceLimits[0],r[1]=e.distanceLimits[1]),\"zoomMin\"in e&&(r[0]=e.zoomMin),\"zoomMax\"in e&&(r[1]=e.zoomMax);var n=o({center:e.center||[0,0,0],up:e.up||[0,1,0],eye:e.eye||[0,0,10],mode:e.mode||\"orbit\",distanceLimits:r}),l=[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0],u=0,c=t.clientWidth,h=t.clientHeight,f={view:n,element:t,delay:e.delay||16,rotateSpeed:e.rotateSpeed||1,zoomSpeed:e.zoomSpeed||1,translateSpeed:e.translateSpeed||1,flipX:!!e.flipX,flipY:!!e.flipY,modes:n.modes,tick:function(){var e=i(),r=this.delay;n.idle(e-r),n.flush(e-(100+2*r));var o=e-2*r;n.recalcMatrix(o);for(var a=!0,s=n.computedMatrix,f=0;16>f;++f)a=a&&l[f]===s[f],l[f]=s[f];var d=t.clientWidth===c&&t.clientHeight===h;return c=t.clientWidth,h=t.clientHeight,a?!d:(u=Math.exp(n.computedRadius[0]),!0)},lookAt:function(t,e,r){n.lookAt(n.lastT(),t,e,r)},rotate:function(t,e,r){n.rotate(n.lastT(),t,e,r)},pan:function(t,e,r){n.pan(n.lastT(),t,e,r)},translate:function(t,e,r){n.translate(n.lastT(),t,e,r)}};Object.defineProperties(f,{matrix:{get:function(){return n.computedMatrix},set:function(t){return n.setMatrix(n.lastT(),t),n.computedMatrix},enumerable:!0},mode:{get:function(){return n.getMode()},set:function(t){return n.setMode(t),n.getMode()},enumerable:!0},center:{get:function(){return n.computedCenter},set:function(t){return n.lookAt(n.lastT(),t),n.computedCenter},enumerable:!0},eye:{get:function(){return n.computedEye},set:function(t){return n.lookAt(n.lastT(),null,t),n.computedEye},enumerable:!0},up:{get:function(){return n.computedUp},set:function(t){return n.lookAt(n.lastT(),null,null,t),n.computedUp},enumerable:!0},distance:{get:function(){return u},set:function(t){return n.setDistance(n.lastT(),t),t},enumerable:!0},distanceLimits:{get:function(){return n.getDistanceLimits(r)},set:function(t){return n.setDistanceLimits(t),t},enumerable:!0}}),t.addEventListener(\"contextmenu\",function(t){return t.preventDefault(),!1});var d=0,p=0;return a(t,function(e,r,o,a){var s=1/t.clientHeight,l=s*(r-d),c=s*(o-p),h=f.flipX?1:-1,v=f.flipY?1:-1,m=Math.PI*f.rotateSpeed,g=i();if(1&e)a.shift?n.rotate(g,0,0,-l*m):n.rotate(g,h*m*l,-v*m*c,0);else if(2&e)n.pan(g,-f.translateSpeed*l*u,f.translateSpeed*c*u,0);else if(4&e){var y=f.zoomSpeed*c/window.innerHeight*(g-n.lastT())*50;n.pan(g,0,0,u*(Math.exp(y)-1))}d=r,p=o}),s(t,function(t,e,r){var o=f.flipX?1:-1,a=f.flipY?1:-1,s=i();if(Math.abs(t)>Math.abs(e))n.rotate(s,0,0,-t*o*Math.PI*f.rotateSpeed/window.innerWidth);else{var l=f.zoomSpeed*a*e/window.innerHeight*(s-n.lastT())/100;n.pan(s,0,0,u*(Math.exp(l)-1))}},!0),f}e.exports=n;var i=t(\"right-now\"),o=t(\"3d-view\"),a=t(\"mouse-change\"),s=t(\"mouse-wheel\")},{\"3d-view\":40,\"mouse-change\":421,\"mouse-wheel\":425,\"right-now\":435}],174:[function(t,e,r){!function(){\"use strict\";function t(e){e.permitHostObjects___&&e.permitHostObjects___(t)}function r(t){return!(t.substr(0,d.length)==d&&\"___\"===t.substr(t.length-3))}function n(t){if(t!==Object(t))throw new TypeError(\"Not an object: \"+t);var e=t[p];if(e&&e.key===t)return e;if(f(t)){e={key:t};try{return h(t,p,{value:e,writable:!1,enumerable:!1,configurable:!1}),e}catch(r){return}}}function i(t){return t.prototype=null,Object.freeze(t)}function o(){y||\"undefined\"==typeof console||(y=!0,console.warn(\"WeakMap should be invoked as new WeakMap(), not WeakMap(). This will be an error in the future.\"))}if(\"undefined\"==typeof ses||!ses.ok||ses.ok()){\"undefined\"!=typeof ses&&(ses.weakMapPermitHostObjects=t);var a=!1;if(\"function\"==typeof WeakMap){var s=WeakMap;if(\"undefined\"!=typeof navigator&&/Firefox/.test(navigator.userAgent));else{var l=new s,u=Object.freeze({});if(l.set(u,1),1===l.get(u))return void(e.exports=WeakMap);a=!0}}var c=(Object.prototype.hasOwnProperty,Object.getOwnPropertyNames),h=Object.defineProperty,f=Object.isExtensible,d=\"weakmap:\",p=d+\"ident:\"+Math.random()+\"___\";if(\"undefined\"!=typeof crypto&&\"function\"==typeof crypto.getRandomValues&&\"function\"==typeof ArrayBuffer&&\"function\"==typeof Uint8Array){var v=new ArrayBuffer(25),m=new Uint8Array(v);crypto.getRandomValues(m),p=d+\"rand:\"+Array.prototype.map.call(m,function(t){return(t%36).toString(36)}).join(\"\")+\"___\"}if(h(Object,\"getOwnPropertyNames\",{value:function(t){return c(t).filter(r)}}),\"getPropertyNames\"in Object){var g=Object.getPropertyNames;h(Object,\"getPropertyNames\",{value:function(t){return g(t).filter(r)}})}!function(){var t=Object.freeze;h(Object,\"freeze\",{value:function(e){return n(e),t(e)}});var e=Object.seal;h(Object,\"seal\",{value:function(t){return n(t),e(t)}});var r=Object.preventExtensions;h(Object,\"preventExtensions\",{value:function(t){return n(t),r(t)}})}();var y=!1,b=0,x=function(){function t(t,e){var r,i=n(t);return i?u in i?i[u]:e:(r=s.indexOf(t),r>=0?l[r]:e)}function e(t){var e=n(t);return e?u in e:s.indexOf(t)>=0}function r(t,e){var r,i=n(t);return i?i[u]=e:(r=s.indexOf(t),r>=0?l[r]=e:(r=s.length,l[r]=e,s[r]=t)),this}function a(t){var e,r,i=n(t);return i?u in i&&delete i[u]:(e=s.indexOf(t),0>e?!1:(r=s.length-1,s[e]=void 0,l[e]=l[r],s[e]=s[r],s.length=r,l.length=r,!0))}this instanceof x||o();var s=[],l=[],u=b++;return Object.create(x.prototype,{get___:{value:i(t)},has___:{value:i(e)},set___:{value:i(r)},delete___:{value:i(a)}})};x.prototype=Object.create(Object.prototype,{get:{value:function(t,e){return this.get___(t,e)},writable:!0,configurable:!0},has:{value:function(t){return this.has___(t)},writable:!0,configurable:!0},set:{value:function(t,e){return this.set___(t,e)},writable:!0,configurable:!0},\"delete\":{value:function(t){return this.delete___(t)},writable:!0,configurable:!0}}),\"function\"==typeof s?!function(){function r(){function e(t,e){return c?u.has(t)?u.get(t):c.get___(t,e):u.get(t,e)}function r(t){return u.has(t)||(c?c.has___(t):!1)}function n(t){var e=!!u.delete(t);return c?c.delete___(t)||e:e}this instanceof x||o();var l,u=new s,c=void 0,h=!1;return l=a?function(t,e){return u.set(t,e),u.has(t)||(c||(c=new x),c.set(t,e)),this}:function(t,e){if(h)try{u.set(t,e)}catch(r){c||(c=new x),c.set___(t,e)}else u.set(t,e);return this},Object.create(x.prototype,{get___:{value:i(e)},has___:{value:i(r)},set___:{value:i(l)},delete___:{value:i(n)},permitHostObjects___:{value:i(function(e){if(e!==t)throw new Error(\"bogus call to permitHostObjects___\");h=!0})}})}a&&\"undefined\"!=typeof Proxy&&(Proxy=void 0),r.prototype=x.prototype,e.exports=r,Object.defineProperty(WeakMap.prototype,\"constructor\",{value:WeakMap,enumerable:!1,configurable:!0,writable:!0})}():(\"undefined\"!=typeof Proxy&&(Proxy=void 0),e.exports=x)}}()},{}],175:[function(t,e,r){\"use strict\";function n(t){var e=s.get(t);if(!e||!t.isBuffer(e._triangleBuffer.buffer)){var r=o(t,new Float32Array([-1,-1,-1,4,4,-1]));e=a(t,[{buffer:r,type:t.FLOAT,size:2}]),e._triangleBuffer=r,s.set(t,e)}e.bind(),t.drawArrays(t.TRIANGLES,0,3),e.unbind()}var i=\"undefined\"==typeof WeakMap?t(\"weak-map\"):WeakMap,o=t(\"gl-buffer\"),a=t(\"gl-vao\"),s=new i;e.exports=n},{\"gl-buffer\":124,\"gl-vao\":232,\"weak-map\":174}],176:[function(t,e,r){\"use strict\";function n(t,e){return t[0]=e[0],t[1]=e[1],t[2]=e[2],t}function i(t){this.gl=t,this.pixelRatio=1,this.bounds=[[-10,-10,-10],[10,10,10]],this.ticks=[[],[],[]],this.autoTicks=!0,this.tickSpacing=[1,1,1],this.tickEnable=[!0,!0,!0],this.tickFont=[\"sans-serif\",\"sans-serif\",\"sans-serif\"],this.tickSize=[12,12,12],this.tickAngle=[0,0,0],this.tickColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.tickPad=[10,10,10],this.lastCubeProps={cubeEdges:[0,0,0],axis:[0,0,0]},this.labels=[\"x\",\"y\",\"z\"],this.labelEnable=[!0,!0,!0],this.labelFont=\"sans-serif\",this.labelSize=[20,20,20],this.labelAngle=[0,0,0],this.labelColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.labelPad=[10,10,10],this.lineEnable=[!0,!0,!0],this.lineMirror=[!1,!1,!1],this.lineWidth=[1,1,1],this.lineColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.lineTickEnable=[!0,!0,!0],this.lineTickMirror=[!1,!1,!1],this.lineTickLength=[0,0,0],this.lineTickWidth=[1,1,1],this.lineTickColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.gridEnable=[!0,!0,!0],this.gridWidth=[1,1,1],this.gridColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.zeroEnable=[!0,!0,!0],this.zeroLineColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.zeroLineWidth=[2,2,2],this.backgroundEnable=[!1,!1,!1],this.backgroundColor=[[.8,.8,.8,.5],[.8,.8,.8,.5],[.8,.8,.8,.5]],this._firstInit=!0,this._text=null,this._lines=null,this._background=c(t)}function o(){this.primalOffset=[0,0,0],this.primalMinor=[0,0,0],this.mirrorOffset=[0,0,0],this.mirrorMinor=[0,0,0]}function a(t,e,r,n,i){for(var o=t.primalOffset,a=t.primalMinor,s=t.mirrorOffset,l=t.mirrorMinor,u=n[e],c=0;3>c;++c)if(e!==c){var h=o,f=s,d=a,p=l;u&1<<c&&(h=s,f=o,d=l,p=a),h[c]=r[0][c],f[c]=r[1][c],i[c]>0?(d[c]=-1,p[c]=0):(d[c]=0,p[c]=1)}}function s(t,e){var r=new i(t);return r.update(e),r}e.exports=s;var l=t(\"./lib/text.js\"),u=t(\"./lib/lines.js\"),c=t(\"./lib/background.js\"),h=t(\"./lib/cube.js\"),f=t(\"./lib/ticks.js\"),d=new Float32Array([1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1]),p=i.prototype;p.update=function(t){function e(e,r,n){if(n in t){var i,o=t[n],a=this[n];(e?Array.isArray(o)&&Array.isArray(o[0]):Array.isArray(o))?this[n]=i=[r(o[0]),r(o[1]),r(o[2])]:this[n]=i=[r(o),r(o),r(o)];for(var s=0;3>s;++s)if(i[s]!==a[s])return!0}return!1}t=t||{};var r,n=e.bind(this,!1,Number),i=e.bind(this,!1,Boolean),o=e.bind(this,!1,String),a=e.bind(this,!0,function(t){if(Array.isArray(t)){if(3===t.length)return[+t[0],+t[1],+t[2],1];if(4===t.length)return[+t[0],+t[1],+t[2],+t[3]]}return[0,0,0,1]}),s=!1,c=!1;if(\"bounds\"in t)for(var h=t.bounds,d=0;2>d;++d)for(var p=0;3>p;++p)h[d][p]!==this.bounds[d][p]&&(c=!0),this.bounds[d][p]=h[d][p];if(\"ticks\"in t){r=t.ticks,s=!0,this.autoTicks=!1;for(var d=0;3>d;++d)this.tickSpacing[d]=0}else n(\"tickSpacing\")&&(this.autoTicks=!0,c=!0);if(this._firstInit&&(\"ticks\"in t||\"tickSpacing\"in t||(this.autoTicks=!0),c=!0,s=!0,this._firstInit=!1),c&&this.autoTicks&&(r=f.create(this.bounds,this.tickSpacing),s=!0),s){for(var d=0;3>d;++d)r[d].sort(function(t,e){return t.x-e.x});f.equal(r,this.ticks)?s=!1:this.ticks=r}i(\"tickEnable\"),o(\"tickFont\")&&(s=!0),n(\"tickSize\"),n(\"tickAngle\"),n(\"tickPad\"),a(\"tickColor\");var v=o(\"labels\");o(\"labelFont\")&&(v=!0),i(\"labelEnable\"),n(\"labelSize\"),n(\"labelPad\"),a(\"labelColor\"),i(\"lineEnable\"),i(\"lineMirror\"),n(\"lineWidth\"),a(\"lineColor\"),i(\"lineTickEnable\"),i(\"lineTickMirror\"),n(\"lineTickLength\"),n(\"lineTickWidth\"),a(\"lineTickColor\"),i(\"gridEnable\"),n(\"gridWidth\"),a(\"gridColor\"),i(\"zeroEnable\"),a(\"zeroLineColor\"),n(\"zeroLineWidth\"),i(\"backgroundEnable\"),a(\"backgroundColor\"),this._text?this._text&&(v||s)&&this._text.update(this.bounds,this.labels,this.labelFont,this.ticks,this.tickFont):this._text=l(this.gl,this.bounds,this.labels,this.labelFont,this.ticks,this.tickFont),this._lines&&s&&(this._lines.dispose(),this._lines=null),this._lines||(this._lines=u(this.gl,this.bounds,this.ticks))};var v=[new o,new o,new o],m=[0,0,0],g={model:d,view:d,projection:d};p.isOpaque=function(){return!0},p.isTransparent=function(){return!1},p.drawTransparent=function(t){};var y=[0,0,0],b=[0,0,0],x=[0,0,0];p.draw=function(t){t=t||g;for(var e=this.gl,r=t.model||d,i=t.view||d,o=t.projection||d,s=this.bounds,l=h(r,i,o,s),u=l.cubeEdges,c=l.axis,f=i[12],p=i[13],_=i[14],w=i[15],M=this.pixelRatio*(o[3]*f+o[7]*p+o[11]*_+o[15]*w)/e.drawingBufferHeight,k=0;3>k;++k)this.lastCubeProps.cubeEdges[k]=u[k],this.lastCubeProps.axis[k]=c[k];for(var A=v,k=0;3>k;++k)a(v[k],k,this.bounds,u,c);for(var e=this.gl,T=m,k=0;3>k;++k)this.backgroundEnable[k]?T[k]=c[k]:T[k]=0;this._background.draw(r,i,o,s,T,this.backgroundColor),this._lines.bind(r,i,o,this);for(var k=0;3>k;++k){var E=[0,0,0];c[k]>0?E[k]=s[1][k]:E[k]=s[0][k];for(var S=0;2>S;++S){var L=(k+1+S)%3,z=(k+1+(1^S))%3;this.gridEnable[L]&&this._lines.drawGrid(L,z,this.bounds,E,this.gridColor[L],this.gridWidth[L]*this.pixelRatio)}for(var S=0;2>S;++S){var L=(k+1+S)%3,z=(k+1+(1^S))%3;this.zeroEnable[z]&&s[0][z]<=0&&s[1][z]>=0&&this._lines.drawZero(L,z,this.bounds,E,this.zeroLineColor[z],this.zeroLineWidth[z]*this.pixelRatio)}}for(var k=0;3>k;++k){this.lineEnable[k]&&this._lines.drawAxisLine(k,this.bounds,A[k].primalOffset,this.lineColor[k],this.lineWidth[k]*this.pixelRatio),this.lineMirror[k]&&this._lines.drawAxisLine(k,this.bounds,A[k].mirrorOffset,this.lineColor[k],this.lineWidth[k]*this.pixelRatio);for(var I=n(y,A[k].primalMinor),P=n(b,A[k].mirrorMinor),C=this.lineTickLength,S=0;3>S;++S){var R=M/r[5*S];I[S]*=C[S]*R,P[S]*=C[S]*R}this.lineTickEnable[k]&&this._lines.drawAxisTicks(k,A[k].primalOffset,I,this.lineTickColor[k],this.lineTickWidth[k]*this.pixelRatio),this.lineTickMirror[k]&&this._lines.drawAxisTicks(k,A[k].mirrorOffset,P,this.lineTickColor[k],this.lineTickWidth[k]*this.pixelRatio)}this._text.bind(r,i,o,this.pixelRatio);for(var k=0;3>k;++k){for(var D=A[k].primalMinor,O=n(x,A[k].primalOffset),S=0;3>S;++S)this.lineTickEnable[k]&&(O[S]+=M*D[S]*Math.max(this.lineTickLength[S],0)/r[5*S]);if(this.tickEnable[k]){for(var S=0;3>S;++S)O[S]+=M*D[S]*this.tickPad[S]/r[5*S];this._text.drawTicks(k,this.tickSize[k],this.tickAngle[k],O,this.tickColor[k])}if(this.labelEnable[k]){for(var S=0;3>S;++S)O[S]+=M*D[S]*this.labelPad[S]/r[5*S];O[k]+=.5*(s[0][k]+s[1][k]),this._text.drawLabel(k,this.labelSize[k],this.labelAngle[k],O,this.labelColor[k])}}},p.dispose=function(){this._text.dispose(),this._lines.dispose(),this._background.dispose(),this._lines=null,this._text=null,this._background=null,this.gl=null}},{\"./lib/background.js\":177,\"./lib/cube.js\":178,\"./lib/lines.js\":179,\"./lib/text.js\":181,\"./lib/ticks.js\":182}],177:[function(t,e,r){\"use strict\";function n(t,e,r,n){this.gl=t,this.buffer=e,this.vao=r,this.shader=n}function i(t){for(var e=[],r=[],i=0,l=0;3>l;++l)for(var u=(l+1)%3,c=(l+2)%3,h=[0,0,0],f=[0,0,0],d=-1;1>=d;d+=2){r.push(i,i+2,i+1,i+1,i+2,i+3),h[l]=d,f[l]=d;for(var p=-1;1>=p;p+=2){h[u]=p;for(var v=-1;1>=v;v+=2)h[c]=v,e.push(h[0],h[1],h[2],f[0],f[1],f[2]),i+=1}var m=u;u=c,c=m}var g=o(t,new Float32Array(e)),y=o(t,new Uint16Array(r),t.ELEMENT_ARRAY_BUFFER),b=a(t,[{buffer:g,type:t.FLOAT,size:3,offset:0,stride:24},{buffer:g,type:t.FLOAT,size:3,offset:12,stride:24}],y),x=s(t);return x.attributes.position.location=0,x.attributes.normal.location=1,new n(t,g,b,x)}e.exports=i;var o=t(\"gl-buffer\"),a=t(\"gl-vao\"),s=t(\"./shaders\").bg,l=n.prototype;l.draw=function(t,e,r,n,i,o){for(var a=!1,s=0;3>s;++s)a=a||i[s];if(a){var l=this.gl;l.enable(l.POLYGON_OFFSET_FILL),l.polygonOffset(1,2),this.shader.bind(),this.shader.uniforms={model:t,view:e,projection:r,bounds:n,enable:i,colors:o},this.vao.bind(),this.vao.draw(this.gl.TRIANGLES,36),l.disable(l.POLYGON_OFFSET_FILL)}},l.dispose=function(){this.vao.dispose(),this.buffer.dispose(),this.shader.dispose()}},{\"./shaders\":180,\"gl-buffer\":124,\"gl-vao\":232}],178:[function(t,e,r){\"use strict\";function n(t,e,r){for(var n=0;4>n;++n){t[n]=r[12+n];for(var i=0;3>i;++i)t[n]+=e[i]*r[4*i+n]}}function i(t){for(var e=0;e<v.length;++e)if(t=l.positive(t,v[e]),t.length<3)return 0;for(var r=t[0],n=r[0]/r[3],i=r[1]/r[3],o=0,e=1;e+1<t.length;++e){var a=t[e],s=t[e+1],u=a[0]/a[3],c=a[1]/a[3],h=s[0]/s[3],f=s[1]/s[3],d=u-n,p=c-i,m=h-n,g=f-i;o+=Math.abs(d*g-p*m)}return o}function o(t,e,r,o){s(c,e,t),s(c,r,c);for(var l=0,v=0;2>v;++v){d[2]=o[v][2];for(var b=0;2>b;++b){d[1]=o[b][1];for(var x=0;2>x;++x)d[0]=o[x][0],n(h[l],d,c),l+=1}}for(var _=-1,v=0;8>v;++v){for(var w=h[v][3],M=0;3>M;++M)f[v][M]=h[v][M]/w;0>w&&(0>_?_=v:f[v][2]<f[_][2]&&(_=v))}if(0>_){_=0;for(var k=0;3>k;++k){for(var A=(k+2)%3,T=(k+1)%3,E=-1,S=-1,L=0;2>L;++L){var z=L<<k,I=z+(L<<A)+(1-L<<T),P=z+(1-L<<A)+(L<<T);u(f[z],f[I],f[P],p)<0||(L?E=1:S=1)}if(0>E||0>S)S>E&&(_|=1<<k);else{for(var L=0;2>L;++L){var z=L<<k,I=z+(L<<A)+(1-L<<T),P=z+(1-L<<A)+(L<<T),C=i([h[z],h[I],h[P],h[z+(1<<A)+(1<<T)]]);L?E=C:S=C}S>E&&(_|=1<<k)}}}for(var R=7^_,D=-1,v=0;8>v;++v)v!==_&&v!==R&&(0>D?D=v:f[D][1]>f[v][1]&&(D=v));for(var O=-1,v=0;3>v;++v){var F=D^1<<v;if(F!==_&&F!==R){0>O&&(O=F);var T=f[F];T[0]<f[O][0]&&(O=F)}}for(var j=-1,v=0;3>v;++v){var F=D^1<<v;if(F!==_&&F!==R&&F!==O){0>j&&(j=F);var T=f[F];T[0]>f[j][0]&&(j=F)}}var N=m;N[0]=N[1]=N[2]=0,N[a.log2(O^D)]=D&O,N[a.log2(D^j)]=D&j;var B=7^j;B===_||B===R?(B=7^O,N[a.log2(j^B)]=B&j):N[a.log2(O^B)]=B&O;for(var U=g,V=_,k=0;3>k;++k)V&1<<k?U[k]=-1:U[k]=1;return y}e.exports=o;var a=t(\"bit-twiddle\"),s=t(\"gl-mat4/multiply\"),l=(t(\"gl-mat4/invert\"),t(\"split-polygon\")),u=t(\"robust-orientation\"),c=new Array(16),h=(new Array(16),new Array(8)),f=new Array(8),d=new Array(3),p=[0,0,0];!function(){for(var t=0;8>t;++t)h[t]=[1,1,1,1],f[t]=[1,1,1]}();var v=[[0,0,1,0,0],[0,0,-1,1,0],[0,-1,0,1,0],[0,1,0,1,0],[-1,0,0,1,0],[1,0,0,1,0]],m=[1,1,1],g=[0,0,0],y={cubeEdges:m,axis:g}},{\"bit-twiddle\":51,\"gl-mat4/invert\":143,\"gl-mat4/multiply\":145,\"robust-orientation\":439,\"split-polygon\":184}],179:[function(t,e,r){\"use strict\";function n(t){return t[0]=t[1]=t[2]=0,t}function i(t,e){return t[0]=e[0],t[1]=e[1],t[2]=e[2],t}function o(t,e,r,n,i,o,a,s){this.gl=t,this.vertBuffer=e,this.vao=r,this.shader=n,this.tickCount=i,this.tickOffset=o,this.gridCount=a,this.gridOffset=s}function a(t,e,r){var n=[],i=[0,0,0],a=[0,0,0],c=[0,0,0],h=[0,0,0];n.push(0,0,1,0,1,1,0,0,-1,0,0,-1,0,1,1,0,1,-1);for(var f=0;3>f;++f){for(var d=n.length/3|0,p=0;p<r[f].length;++p){var v=+r[f][p].x;n.push(v,0,1,v,1,1,v,0,-1,v,0,-1,v,1,1,v,1,-1)}var m=n.length/3|0;i[f]=d,a[f]=m-d;for(var d=n.length/3|0,g=0;g<r[f].length;++g){var v=+r[f][g].x;n.push(v,0,1,v,1,1,v,0,-1,v,0,-1,v,1,1,v,1,-1)}var m=n.length/3|0;c[f]=d,h[f]=m-d}var y=s(t,new Float32Array(n)),b=l(t,[{buffer:y,type:t.FLOAT,size:3,stride:0,offset:0}]),x=u(t);return x.attributes.position.location=0,new o(t,y,b,x,a,i,h,c)}e.exports=a;var s=t(\"gl-buffer\"),l=t(\"gl-vao\"),u=t(\"./shaders\").line,c=[0,0,0],h=[0,0,0],f=[0,0,0],d=[0,0,0],p=[1,1],v=o.prototype;v.bind=function(t,e,r){this.shader.bind(),this.shader.uniforms.model=t,this.shader.uniforms.view=e,this.shader.uniforms.projection=r,p[0]=this.gl.drawingBufferWidth,p[1]=this.gl.drawingBufferHeight,this.shader.uniforms.screenShape=p,this.vao.bind()},v.drawAxisLine=function(t,e,r,o,a){var s=n(h);this.shader.uniforms.majorAxis=h,s[t]=e[1][t]-e[0][t],this.shader.uniforms.minorAxis=s;var l=i(d,r);l[t]+=e[0][t],this.shader.uniforms.offset=l,this.shader.uniforms.lineWidth=a,this.shader.uniforms.color=o;var u=n(f);u[(t+2)%3]=1,this.shader.uniforms.screenAxis=u,this.vao.draw(this.gl.TRIANGLES,6);var u=n(f);u[(t+1)%3]=1,this.shader.uniforms.screenAxis=u,this.vao.draw(this.gl.TRIANGLES,6)},v.drawAxisTicks=function(t,e,r,i,o){\nif(this.tickCount[t]){var a=n(c);a[t]=1,this.shader.uniforms.majorAxis=a,this.shader.uniforms.offset=e,this.shader.uniforms.minorAxis=r,this.shader.uniforms.color=i,this.shader.uniforms.lineWidth=o;var s=n(f);s[t]=1,this.shader.uniforms.screenAxis=s,this.vao.draw(this.gl.TRIANGLES,this.tickCount[t],this.tickOffset[t])}},v.drawGrid=function(t,e,r,o,a,s){if(this.gridCount[t]){var l=n(h);l[e]=r[1][e]-r[0][e],this.shader.uniforms.minorAxis=l;var u=i(d,o);u[e]+=r[0][e],this.shader.uniforms.offset=u;var p=n(c);p[t]=1,this.shader.uniforms.majorAxis=p;var v=n(f);v[t]=1,this.shader.uniforms.screenAxis=v,this.shader.uniforms.lineWidth=s,this.shader.uniforms.color=a,this.vao.draw(this.gl.TRIANGLES,this.gridCount[t],this.gridOffset[t])}},v.drawZero=function(t,e,r,o,a,s){var l=n(h);this.shader.uniforms.majorAxis=l,l[t]=r[1][t]-r[0][t],this.shader.uniforms.minorAxis=l;var u=i(d,o);u[t]+=r[0][t],this.shader.uniforms.offset=u;var c=n(f);c[e]=1,this.shader.uniforms.screenAxis=c,this.shader.uniforms.lineWidth=s,this.shader.uniforms.color=a,this.vao.draw(this.gl.TRIANGLES,6)},v.dispose=function(){this.vao.dispose(),this.vertBuffer.dispose(),this.shader.dispose()}},{\"./shaders\":180,\"gl-buffer\":124,\"gl-vao\":232}],180:[function(t,e,r){\"use strict\";var n=t(\"gl-shader\"),i=\"#define GLSLIFY 1\\nattribute vec3 position;\\n\\nuniform mat4 model, view, projection;\\nuniform vec3 offset, majorAxis, minorAxis, screenAxis;\\nuniform float lineWidth;\\nuniform vec2 screenShape;\\n\\nvec3 project(vec3 p) {\\n  vec4 pp = projection * view * model * vec4(p, 1.0);\\n  return pp.xyz / max(pp.w, 0.0001);\\n}\\n\\nvoid main() {\\n  vec3 major = position.x * majorAxis;\\n  vec3 minor = position.y * minorAxis;\\n\\n  vec3 vPosition = major + minor + offset;\\n  vec3 pPosition = project(vPosition);\\n  vec3 offset = project(vPosition + screenAxis * position.z);\\n\\n  vec2 screen = normalize((offset - pPosition).xy * screenShape) / screenShape;\\n\\n  gl_Position = vec4(pPosition + vec3(0.5 * screen * lineWidth, 0), 1.0);\\n}\\n\",o=\"precision mediump float;\\n#define GLSLIFY 1\\nuniform vec4 color;\\nvoid main() {\\n  gl_FragColor = color;\\n}\";r.line=function(t){return n(t,i,o,null,[{name:\"position\",type:\"vec3\"}])};var a=\"#define GLSLIFY 1\\nattribute vec3 position;\\n\\nuniform mat4 model, view, projection;\\nuniform vec3 offset, axis;\\nuniform float scale, angle, pixelScale;\\nuniform vec2 resolution;\\n\\nvoid main() {  \\n  //Compute plane offset\\n  vec2 planeCoord = position.xy * pixelScale;\\n  mat2 planeXform = scale * mat2(cos(angle), sin(angle),\\n                                -sin(angle), cos(angle));\\n  vec2 viewOffset = 2.0 * planeXform * planeCoord / resolution;\\n\\n  //Compute world offset\\n  float axisDistance = position.z;\\n  vec3 dataPosition = axisDistance * axis + offset;\\n  vec4 worldPosition = model * vec4(dataPosition, 1);\\n  \\n  //Compute clip position\\n  vec4 viewPosition = view * worldPosition;\\n  vec4 clipPosition = projection * viewPosition;\\n  clipPosition /= clipPosition.w;\\n\\n  //Apply text offset in clip coordinates\\n  clipPosition += vec4(viewOffset, 0, 0);\\n\\n  //Done\\n  gl_Position = clipPosition;\\n}\",s=\"precision mediump float;\\n#define GLSLIFY 1\\nuniform vec4 color;\\nvoid main() {\\n  gl_FragColor = color;\\n}\";r.text=function(t){return n(t,a,s,null,[{name:\"position\",type:\"vec3\"}])};var l=\"#define GLSLIFY 1\\nattribute vec3 position;\\nattribute vec3 normal;\\n\\nuniform mat4 model, view, projection;\\nuniform vec3 enable;\\nuniform vec3 bounds[2];\\n\\nvarying vec3 colorChannel;\\n\\nvoid main() {\\n  if(dot(normal, enable) > 0.0) {\\n    vec3 nPosition = mix(bounds[0], bounds[1], 0.5 * (position + 1.0));\\n    gl_Position = projection * view * model * vec4(nPosition, 1.0);\\n  } else {\\n    gl_Position = vec4(0,0,0,0);\\n  }\\n  colorChannel = abs(normal);\\n}\",u=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nuniform vec4 colors[3];\\n\\nvarying vec3 colorChannel;\\n\\nvoid main() {\\n  gl_FragColor = colorChannel.x * colors[0] + \\n                 colorChannel.y * colors[1] +\\n                 colorChannel.z * colors[2];\\n}\";r.bg=function(t){return n(t,l,u,null,[{name:\"position\",type:\"vec3\"},{name:\"normal\",type:\"vec3\"}])}},{\"gl-shader\":203}],181:[function(t,e,r){(function(r){\"use strict\";function n(t,e,r,n){this.gl=t,this.shader=e,this.buffer=r,this.vao=n,this.tickOffset=this.tickCount=this.labelOffset=this.labelCount=null}function i(t,e){try{return l(t,e)}catch(r){return console.warn(\"error vectorizing text:\",r),{cells:[],positions:[]}}}function o(t,e,r,i,o,l){var c=a(t),h=s(t,[{buffer:c,size:3}]),f=u(t);f.attributes.position.location=0;var d=new n(t,f,c,h);return d.update(e,r,i,o,l),d}e.exports=o;var a=t(\"gl-buffer\"),s=t(\"gl-vao\"),l=t(\"vectorize-text\"),u=t(\"./shaders\").text,c=window||r.global||{},h=c.__TEXT_CACHE||{};c.__TEXT_CACHE={};var f=3,d=n.prototype,p=[0,0];d.bind=function(t,e,r,n){this.vao.bind(),this.shader.bind();var i=this.shader.uniforms;i.model=t,i.view=e,i.projection=r,i.pixelScale=n,p[0]=this.gl.drawingBufferWidth,p[1]=this.gl.drawingBufferHeight,this.shader.uniforms.resolution=p},d.update=function(t,e,r,n,o){function a(t,e,r,n){var o=h[r];o||(o=h[r]={});var a=o[e];a||(a=o[e]=i(e,{triangles:!0,font:r,textAlign:\"center\",textBaseline:\"middle\"}));for(var l=(n||12)/12,u=a.positions,c=a.cells,f=0,d=c.length;d>f;++f)for(var p=c[f],v=2;v>=0;--v){var m=u[p[v]];s.push(l*m[0],-l*m[1],t)}}for(var s=(this.gl,[]),l=[0,0,0],u=[0,0,0],c=[0,0,0],d=[0,0,0],p=0;3>p;++p){c[p]=s.length/f|0,a(.5*(t[0][p]+t[1][p]),e[p],r),d[p]=(s.length/f|0)-c[p],l[p]=s.length/f|0;for(var v=0;v<n[p].length;++v)n[p][v].text&&a(n[p][v].x,n[p][v].text,n[p][v].font||o,n[p][v].fontSize||12);u[p]=(s.length/f|0)-l[p]}this.buffer.update(s),this.tickOffset=l,this.tickCount=u,this.labelOffset=c,this.labelCount=d};var v=[0,0,0];d.drawTicks=function(t,e,r,n,i){if(this.tickCount[t]){var o=v;o[0]=o[1]=o[2]=0,o[t]=1,this.shader.uniforms.axis=o,this.shader.uniforms.color=i,this.shader.uniforms.angle=r,this.shader.uniforms.scale=e,this.shader.uniforms.offset=n,this.vao.draw(this.gl.TRIANGLES,this.tickCount[t],this.tickOffset[t])}};var m=[0,0,0];d.drawLabel=function(t,e,r,n,i){this.labelCount[t]&&(this.shader.uniforms.axis=m,this.shader.uniforms.color=i,this.shader.uniforms.angle=r,this.shader.uniforms.scale=e,this.shader.uniforms.offset=n,this.vao.draw(this.gl.TRIANGLES,this.labelCount[t],this.labelOffset[t]))},d.dispose=function(){this.shader.dispose(),this.vao.dispose(),this.buffer.dispose()}}).call(this,t(\"_process\"))},{\"./shaders\":180,_process:60,\"gl-buffer\":124,\"gl-vao\":232,\"vectorize-text\":460}],182:[function(t,e,r){\"use strict\";function n(t,e){var r=t+\"\",n=r.indexOf(\".\"),i=0;n>=0&&(i=r.length-n-1);var o=Math.pow(10,i),a=Math.round(t*e*o),s=a+\"\";if(s.indexOf(\"e\")>=0)return s;var l=a/o,u=a%o;0>a?(l=0|-Math.ceil(l),u=0|-u):(l=0|Math.floor(l),u=0|u);var c=\"\"+l;if(0>a&&(c=\"-\"+c),i){for(var h=\"\"+u;h.length<i;)h=\"0\"+h;return c+\".\"+h}return c}function i(t,e){for(var r=[],i=0;3>i;++i){for(var o=[],a=(.5*(t[0][i]+t[1][i]),0);a*e[i]<=t[1][i];++a)o.push({x:a*e[i],text:n(e[i],a)});for(var a=-1;a*e[i]>=t[0][i];--a)o.push({x:a*e[i],text:n(e[i],a)});r.push(o)}return r}function o(t,e){for(var r=0;3>r;++r){if(t[r].length!==e[r].length)return!1;for(var n=0;n<t[r].length;++n){var i=t[r][n],o=e[r][n];if(i.x!==o.x||i.text!==o.text)return!1}}return!0}r.create=i,r.equal=o},{}],183:[function(t,e,r){\"use strict\";function n(t,e,r){var n=e||0,i=r||1;return[[t[12]+t[0],t[13]+t[1],t[14]+t[2],t[15]+t[3]],[t[12]-t[0],t[13]-t[1],t[14]-t[2],t[15]-t[3]],[t[12]+t[4],t[13]+t[5],t[14]+t[6],t[15]+t[7]],[t[12]-t[4],t[13]-t[5],t[14]-t[6],t[15]-t[7]],[n*t[12]+t[8],n*t[13]+t[9],n*t[14]+t[10],n*t[15]+t[11]],[i*t[12]-t[8],i*t[13]-t[9],i*t[14]-t[10],i*t[15]-t[11]]]}e.exports=n},{}],184:[function(t,e,r){\"use strict\";function n(t,e){var r=u(l(t,e),[e[e.length-1]]);return r[r.length-1]}function i(t,e,r,n){var i=n-e,o=-e/i;0>o?o=0:o>1&&(o=1);for(var a=1-o,s=t.length,l=new Array(s),u=0;s>u;++u)l[u]=o*t[u]+a*r[u];return l}function o(t,e){for(var r=[],o=[],a=n(t[t.length-1],e),s=t[t.length-1],l=t[0],u=0;u<t.length;++u,s=l){l=t[u];var c=n(l,e);if(0>a&&c>0||a>0&&0>c){var h=i(s,c,l,a);r.push(h),o.push(h.slice())}0>c?o.push(l.slice()):c>0?r.push(l.slice()):(r.push(l.slice()),o.push(l.slice())),a=c}return{positive:r,negative:o}}function a(t,e){for(var r=[],o=n(t[t.length-1],e),a=t[t.length-1],s=t[0],l=0;l<t.length;++l,a=s){s=t[l];var u=n(s,e);(0>o&&u>0||o>0&&0>u)&&r.push(i(a,u,s,o)),u>=0&&r.push(s.slice()),o=u}return r}function s(t,e){for(var r=[],o=n(t[t.length-1],e),a=t[t.length-1],s=t[0],l=0;l<t.length;++l,a=s){s=t[l];var u=n(s,e);(0>o&&u>0||o>0&&0>u)&&r.push(i(a,u,s,o)),0>=u&&r.push(s.slice()),o=u}return r}var l=t(\"robust-dot-product\"),u=t(\"robust-sum\");e.exports=o,e.exports.positive=a,e.exports.negative=s},{\"robust-dot-product\":185,\"robust-sum\":442}],185:[function(t,e,r){\"use strict\";function n(t,e){for(var r=i(t[0],e[0]),n=1;n<t.length;++n)r=o(r,i(t[n],e[n]));return r}var i=t(\"two-product\"),o=t(\"robust-sum\");e.exports=n},{\"robust-sum\":442,\"two-product\":456}],186:[function(t,e,r){\"use strict\";function n(t,e,r){this.lo=t,this.hi=e,this.pixelsPerDataUnit=r}function i(t,e,r,n,i){for(var o=0;3>o;++o){for(var a=p,s=v,l=0;3>l;++l)s[l]=a[l]=r[l];s[3]=a[3]=1,s[o]+=1,h(s,s,e),s[3]<0&&(t[o]=1/0),a[o]-=1,h(a,a,e),a[3]<0&&(t[o]=1/0);var u=(a[0]/a[3]-s[0]/s[3])*n,c=(a[1]/a[3]-s[1]/s[3])*i;t[o]=.25*Math.sqrt(u*u+c*c)}return t}function o(t,e,r,n,o){var h=e.model||f,p=e.view||f,v=e.projection||f,y=t.bounds,o=o||l(h,p,v,y),b=o.axis;o.edges;u(d,p,h),u(d,v,d);for(var x=m,_=0;3>_;++_)x[_].lo=1/0,x[_].hi=-(1/0),x[_].pixelsPerDataUnit=1/0;var w=a(c(d,d));c(d,d);for(var M=0;3>M;++M){var k=(M+1)%3,A=(M+2)%3,T=g;t:for(var _=0;2>_;++_){var E=[];if(b[M]<0!=!!_){T[M]=y[_][M];for(var S=0;2>S;++S){T[k]=y[S^_][k];for(var L=0;2>L;++L)T[A]=y[L^S^_][A],E.push(T.slice())}for(var S=0;S<w.length;++S){if(0===E.length)continue t;E=s.positive(E,w[S])}for(var S=0;S<E.length;++S)for(var A=E[S],z=i(g,d,A,r,n),L=0;3>L;++L)x[L].lo=Math.min(x[L].lo,A[L]),x[L].hi=Math.max(x[L].hi,A[L]),L!==M&&(x[L].pixelsPerDataUnit=Math.min(x[L].pixelsPerDataUnit,Math.abs(z[L])))}}}return x}e.exports=o;var a=t(\"extract-frustum-planes\"),s=t(\"split-polygon\"),l=t(\"./lib/cube.js\"),u=t(\"gl-mat4/multiply\"),c=t(\"gl-mat4/transpose\"),h=t(\"gl-vec4/transformMat4\"),f=new Float32Array([1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1]),d=new Float32Array(16),p=[0,0,0,1],v=[0,0,0,1],m=[new n(1/0,-(1/0),1/0),new n(1/0,-(1/0),1/0),new n(1/0,-(1/0),1/0)],g=[0,0,0]},{\"./lib/cube.js\":178,\"extract-frustum-planes\":183,\"gl-mat4/multiply\":145,\"gl-mat4/transpose\":153,\"gl-vec4/transformMat4\":233,\"split-polygon\":184}],187:[function(t,e,r){\"use strict\";var n=t(\"gl-shader\"),i=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec3 position, color;\\nattribute float weight;\\n\\nuniform mat4 model, view, projection;\\nuniform vec3 coordinates[3];\\nuniform vec4 colors[3];\\nuniform vec2 screenShape;\\nuniform float lineWidth;\\n\\nvarying vec4 fragColor;\\n\\nvoid main() {\\n  vec3 vertexPosition = mix(coordinates[0],\\n    mix(coordinates[2], coordinates[1], 0.5 * (position + 1.0)), abs(position));\\n\\n  vec4 clipPos = projection * view * model * vec4(vertexPosition, 1.0);\\n  vec2 clipOffset = (projection * view * model * vec4(color, 0.0)).xy;\\n  vec2 delta = weight * clipOffset * screenShape;\\n  vec2 lineOffset = normalize(vec2(delta.y, -delta.x)) / screenShape;\\n\\n  gl_Position   = vec4(clipPos.xy + clipPos.w * 0.5 * lineWidth * lineOffset, clipPos.z, clipPos.w);\\n  fragColor     = color.x * colors[0] + color.y * colors[1] + color.z * colors[2];\\n}\\n\",o=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nvarying vec4 fragColor;\\n\\nvoid main() {\\n  gl_FragColor = fragColor;\\n}\";e.exports=function(t){return n(t,i,o,null,[{name:\"position\",type:\"vec3\"},{name:\"color\",type:\"vec3\"},{name:\"weight\",type:\"float\"}])}},{\"gl-shader\":203}],188:[function(t,e,r){\"use strict\";function n(t,e,r,n){this.gl=t,this.buffer=e,this.vao=r,this.shader=n,this.pixelRatio=1,this.bounds=[[-1e3,-1e3,-1e3],[1e3,1e3,1e3]],this.position=[0,0,0],this.lineWidth=[2,2,2],this.colors=[[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.enabled=[!0,!0,!0],this.drawSides=[!0,!0,!0],this.axes=null}function i(t,e){function r(t,e,r,n,o,a){var s=[t,e,r,0,0,0,1];s[n+3]=1,s[n]=o,i.push.apply(i,s),s[6]=-1,i.push.apply(i,s),s[n]=a,i.push.apply(i,s),i.push.apply(i,s),s[6]=1,i.push.apply(i,s),s[n]=o,i.push.apply(i,s)}var i=[];r(0,0,0,0,0,1),r(0,0,0,1,0,1),r(0,0,0,2,0,1),r(1,0,0,1,-1,1),r(1,0,0,2,-1,1),r(0,1,0,0,-1,1),r(0,1,0,2,-1,1),r(0,0,1,0,-1,1),r(0,0,1,1,-1,1);var l=o(t,i),u=a(t,[{type:t.FLOAT,buffer:l,size:3,offset:0,stride:28},{type:t.FLOAT,buffer:l,size:3,offset:12,stride:28},{type:t.FLOAT,buffer:l,size:1,offset:24,stride:28}]),c=s(t);c.attributes.position.location=0,c.attributes.color.location=1,c.attributes.weight.location=2;var h=new n(t,l,u,c);return h.update(e),h}var o=t(\"gl-buffer\"),a=t(\"gl-vao\"),s=t(\"./shaders/index\");e.exports=i;var l=[1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1],u=n.prototype,c=[0,0,0],h=[0,0,0],f=[0,0];u.isTransparent=function(){return!1},u.drawTransparent=function(t){},u.draw=function(t){var e=this.gl,r=this.vao,n=this.shader;r.bind(),n.bind();var i,o=t.model||l,a=t.view||l,s=t.projection||l;this.axes&&(i=this.axes.lastCubeProps.axis);for(var u=c,d=h,p=0;3>p;++p)i&&i[p]<0?(u[p]=this.bounds[0][p],d[p]=this.bounds[1][p]):(u[p]=this.bounds[1][p],d[p]=this.bounds[0][p]);f[0]=e.drawingBufferWidth,f[1]=e.drawingBufferHeight,n.uniforms.model=o,n.uniforms.view=a,n.uniforms.projection=s,n.uniforms.coordinates=[this.position,u,d],n.uniforms.colors=this.colors,n.uniforms.screenShape=f;for(var p=0;3>p;++p)n.uniforms.lineWidth=this.lineWidth[p]*this.pixelRatio,this.enabled[p]&&(r.draw(e.TRIANGLES,6,6*p),this.drawSides[p]&&r.draw(e.TRIANGLES,12,18+12*p));r.unbind()},u.update=function(t){t&&(\"bounds\"in t&&(this.bounds=t.bounds),\"position\"in t&&(this.position=t.position),\"lineWidth\"in t&&(this.lineWidth=t.lineWidth),\"colors\"in t&&(this.colors=t.colors),\"enabled\"in t&&(this.enabled=t.enabled),\"drawSides\"in t&&(this.drawSides=t.drawSides))},u.dispose=function(){this.vao.dispose(),this.buffer.dispose(),this.shader.dispose()}},{\"./shaders/index\":187,\"gl-buffer\":124,\"gl-vao\":232}],189:[function(t,e,r){\"use strict\";function n(){this.mouse=[-1,-1],this.screen=null,this.distance=1/0,this.index=null,this.dataCoordinate=null,this.dataPosition=null,this.object=null,this.data=null}function i(t,e){var r=null;try{r=t.getContext(\"webgl\",e),r||(r=t.getContext(\"experimental-webgl\",e))}catch(n){return null}return r}function o(t){var e=Math.round(Math.log(Math.abs(t))/Math.log(10));if(0>e){var r=Math.round(Math.pow(10,-e));return Math.ceil(t*r)/r}if(e>0){var r=Math.round(Math.pow(10,e));return Math.ceil(t/r)*r}return Math.ceil(t)}function a(t){return\"boolean\"==typeof t?t:!0}function s(t){function e(){if(!_&&G.autoResize){var t=w.parentNode,e=1,r=1;t&&t!==document.body?(e=t.clientWidth,r=t.clientHeight):(e=window.innerWidth,r=window.innerHeight);var n=0|Math.ceil(e*G.pixelRatio),i=0|Math.ceil(r*G.pixelRatio);if(n!==w.width||i!==w.height){w.width=n,w.height=i;var o=w.style;o.position=o.position||\"absolute\",o.left=\"0px\",o.top=\"0px\",o.width=e+\"px\",o.height=r+\"px\",j=!0}}}function r(){for(var t=R.length,e=F.length,r=0;e>r;++r)O[r]=0;t:for(var r=0;t>r;++r){var n=R[r],i=n.pickSlots;if(i){for(var o=0;e>o;++o)if(O[o]+i<255){D[r]=o,n.setPickBase(O[o]+1),O[o]+=i;continue t}var a=f(k,q);D[r]=e,F.push(a),O.push(i),n.setPickBase(1),e+=1}else D[r]=-1}for(;e>0&&0===O[e-1];)O.pop(),F.pop().dispose()}function s(){return G.contextLost?!0:void(k.isContextLost()&&(G.contextLost=!0,G.mouseListener.enabled=!1,G.selection.object=null,G.oncontextloss&&G.oncontextloss()))}function y(){if(!s()){k.colorMask(!0,!0,!0,!0),k.depthMask(!0),k.disable(k.BLEND),k.enable(k.DEPTH_TEST);for(var t=R.length,e=F.length,r=0;e>r;++r){var n=F[r];n.shape=H,n.begin();for(var i=0;t>i;++i)if(D[i]===r){var o=R[i];o.drawPick&&(o.pixelRatio=1,o.drawPick(V))}n.end()}}}function b(){if(!s()){e();var t=G.camera.tick();V.view=G.camera.matrix,j=j||t,N=N||t,I.pixelRatio=G.pixelRatio,C.pixelRatio=G.pixelRatio;var r=R.length,n=W[0],i=W[1];n[0]=n[1]=n[2]=1/0,i[0]=i[1]=i[2]=-(1/0);for(var a=0;r>a;++a){var l=R[a];l.pixelRatio=G.pixelRatio,l.axes=G.axes,j=j||!!l.dirty,N=N||!!l.dirty;var u=l.bounds;if(u)for(var h=u[0],f=u[1],d=0;3>d;++d)n[d]=Math.min(n[d],h[d]),i[d]=Math.max(i[d],f[d])}var v=G.bounds;if(G.autoBounds)for(var d=0;3>d;++d){if(i[d]<n[d])n[d]=-1,i[d]=1;else{n[d]===i[d]&&(n[d]-=1,i[d]+=1);var g=.05*(i[d]-n[d]);n[d]=n[d]-g,i[d]=i[d]+g}v[0][d]=n[d],v[1][d]=i[d]}for(var b=!1,d=0;3>d;++d)b=b||Z[0][d]!==v[0][d]||Z[1][d]!==v[1][d],Z[0][d]=v[0][d],Z[1][d]=v[1][d];if(b){for(var x=[0,0,0],a=0;3>a;++a)x[a]=o((v[1][a]-v[0][a])/10);I.autoTicks?I.update({bounds:v,tickSpacing:x}):I.update({bounds:v})}N=N||b,j=j||b;var _=k.drawingBufferWidth,w=k.drawingBufferHeight;q[0]=_,q[1]=w,H[0]=0|Math.max(_/G.pixelRatio,1),H[1]=0|Math.max(w/G.pixelRatio,1),m(B,G.fovy,_/w,G.zNear,G.zFar);for(var a=0;16>a;++a)U[a]=0;U[15]=1;for(var M=0,a=0;3>a;++a)M=Math.max(M,v[1][a]-v[0][a]);for(var a=0;3>a;++a)G.autoScale?U[5*a]=G.aspect[a]/(v[1][a]-v[0][a]):U[5*a]=1/M,G.autoCenter&&(U[12+a]=.5*-U[5*a]*(v[0][a]+v[1][a]));for(var a=0;r>a;++a){var l=R[a];l.axesBounds=v,G.clipToBounds&&(l.clipBounds=v)}if(T.object&&(G.snapToData?C.position=T.dataCoordinate:C.position=T.dataPosition,C.bounds=v),N&&(N=!1,y()),j){G.axesPixels=c(G.axes,V,_,w),G.onrender&&G.onrender(),k.bindFramebuffer(k.FRAMEBUFFER,null),k.viewport(0,0,_,w);var A=G.clearColor;k.clearColor(A[0],A[1],A[2],A[3]),k.clear(k.COLOR_BUFFER_BIT|k.DEPTH_BUFFER_BIT),k.depthMask(!0),k.colorMask(!0,!0,!0,!0),k.enable(k.DEPTH_TEST),k.depthFunc(k.LEQUAL),k.disable(k.BLEND),k.disable(k.CULL_FACE);var L=!1;I.enable&&(L=L||I.isTransparent(),I.draw(V)),C.axes=I,T.object&&C.draw(V),k.disable(k.CULL_FACE);for(var a=0;r>a;++a){var l=R[a];l.axes=I,l.pixelRatio=G.pixelRatio,l.isOpaque&&l.isOpaque()&&l.draw(V),l.isTransparent&&l.isTransparent()&&(L=!0)}if(L){E.shape=q,E.bind(),k.clear(k.DEPTH_BUFFER_BIT),k.colorMask(!1,!1,!1,!1),k.depthMask(!0),k.depthFunc(k.LESS),I.enable&&I.isTransparent()&&I.drawTransparent(V);for(var a=0;r>a;++a){var l=R[a];l.isOpaque&&l.isOpaque()&&l.draw(V)}k.enable(k.BLEND),k.blendEquation(k.FUNC_ADD),k.blendFunc(k.ONE,k.ONE_MINUS_SRC_ALPHA),k.colorMask(!0,!0,!0,!0),k.depthMask(!1),k.clearColor(0,0,0,0),k.clear(k.COLOR_BUFFER_BIT),I.isTransparent()&&I.drawTransparent(V);for(var a=0;r>a;++a){var l=R[a];l.isTransparent&&l.isTransparent()&&l.drawTransparent(V)}k.bindFramebuffer(k.FRAMEBUFFER,null),k.blendFunc(k.ONE,k.ONE_MINUS_SRC_ALPHA),k.disable(k.DEPTH_TEST),S.bind(),E.color[0].bind(0),S.uniforms.accumBuffer=0,p(k),k.disable(k.BLEND)}j=!1;for(var a=0;r>a;++a)R[a].dirty=!1}}}function x(){_||G.contextLost||(requestAnimationFrame(x),b())}t=t||{};var _=!1,w=(t.pixelRatio||parseFloat(window.devicePixelRatio),t.canvas);if(!w)if(w=document.createElement(\"canvas\"),t.container){var M=t.container;M.appendChild(w)}else document.body.appendChild(w);var k=t.gl;if(k||(k=i(w,t.glOptions||{premultipliedAlpha:!0,antialias:!0})),!k)throw new Error(\"webgl not supported\");var A=t.bounds||[[-10,-10,-10],[10,10,10]],T=new n,E=d(k,[k.drawingBufferWidth,k.drawingBufferHeight],{preferFloat:!0}),S=g(k),L=t.camera||{eye:[2,0,0],center:[0,0,0],up:[0,1,0],zoomMin:.1,zoomMax:100,mode:\"turntable\"},z=t.axes||{},I=u(k,z);I.enable=!z.disable;var P=t.spikes||{},C=h(k,P),R=[],D=[],O=[],F=[],j=!0,N=!0,B=new Array(16),U=new Array(16),V={view:null,projection:B,model:U},N=!0,q=[k.drawingBufferWidth,k.drawingBufferHeight],G={gl:k,contextLost:!1,pixelRatio:t.pixelRatio||parseFloat(window.devicePixelRatio),canvas:w,selection:T,camera:l(w,L),axes:I,axesPixels:null,spikes:C,bounds:A,objects:R,shape:q,aspect:t.aspectRatio||[1,1,1],pickRadius:t.pickRadius||10,zNear:t.zNear||.01,zFar:t.zFar||1e3,fovy:t.fovy||Math.PI/4,clearColor:t.clearColor||[0,0,0,0],autoResize:a(t.autoResize),autoBounds:a(t.autoBounds),autoScale:!!t.autoScale,autoCenter:a(t.autoCenter),clipToBounds:a(t.clipToBounds),snapToData:!!t.snapToData,onselect:t.onselect||null,onrender:t.onrender||null,onclick:t.onclick||null,cameraParams:V,oncontextloss:null,mouseListener:null},H=[k.drawingBufferWidth/G.pixelRatio|0,k.drawingBufferHeight/G.pixelRatio|0];G.autoResize&&e(),window.addEventListener(\"resize\",e),G.update=function(t){_||(t=t||{},j=!0,N=!0)},G.add=function(t){_||(t.axes=I,R.push(t),D.push(-1),j=!0,N=!0,r())},G.remove=function(t){if(!_){var e=R.indexOf(t);0>e||(R.splice(e,1),D.pop(),j=!0,N=!0,r())}},G.dispose=function(){if(!_&&(_=!0,window.removeEventListener(\"resize\",e),w.removeEventListener(\"webglcontextlost\",s),G.mouseListener.enabled=!1,!G.contextLost)){I.dispose(),C.dispose();for(var t=0;t<R.length;++t)R[t].dispose();E.dispose();for(var t=0;t<F.length;++t)F[t].dispose();S.dispose(),k=null,I=null,C=null,R=[]}};var X=!1,Y=0;G.mouseListener=v(w,function(t,e,r){if(!_){var n=F.length,i=R.length,o=T.object;T.distance=1/0,T.mouse[0]=e,T.mouse[1]=r,T.object=null,T.screen=null,T.dataCoordinate=T.dataPosition=null;var a=!1;if(t&&Y)X=!0;else{X&&(N=!0),X=!1;for(var s=0;n>s;++s){var l=F[s].query(e,H[1]-r-1,G.pickRadius);if(l){if(l.distance>T.distance)continue;for(var u=0;i>u;++u){var c=R[u];if(D[u]===s){var h=c.pick(l);h&&(T.buttons=t,T.screen=l.coord,T.distance=l.distance,T.object=c,T.index=h.distance,T.dataPosition=h.position,T.dataCoordinate=h.dataCoordinate,T.data=h,a=!0)}}}}}o&&o!==T.object&&(o.highlight&&o.highlight(null),j=!0),T.object&&(T.object.highlight&&T.object.highlight(T.data),j=!0),a=a||T.object!==o,a&&G.onselect&&G.onselect(T),1&t&&!(1&Y)&&G.onclick&&G.onclick(T),Y=t}}),w.addEventListener(\"webglcontextlost\",s);var W=[[1/0,1/0,1/0],[-(1/0),-(1/0),-(1/0)]],Z=[W[0].slice(),W[1].slice()];return x(),G.redraw=function(){_||(j=!0,b())},G}e.exports=s;var l=t(\"3d-view-controls\"),u=t(\"gl-axes3d\"),c=t(\"gl-axes3d/properties\"),h=t(\"gl-spikes3d\"),f=t(\"gl-select-static\"),d=t(\"gl-fbo\"),p=t(\"a-big-triangle\"),v=t(\"mouse-change\"),m=t(\"gl-mat4/perspective\"),g=t(\"./lib/shader\")},{\"./lib/shader\":172,\"3d-view-controls\":173,\"a-big-triangle\":175,\"gl-axes3d\":176,\"gl-axes3d/properties\":186,\"gl-fbo\":129,\"gl-mat4/perspective\":146,\"gl-select-static\":202,\"gl-spikes3d\":188,\"mouse-change\":421}],190:[function(t,e,r){\"use strict\";e.exports={vertex:\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec2 position;\\nattribute vec2 offset;\\nattribute vec4 color;\\n\\nuniform mat3 viewTransform;\\nuniform vec2 pixelScale;\\n\\nvarying vec4 fragColor;\\n\\nvec4 computePosition_1_0(vec2 position, vec2 offset, mat3 view, vec2 scale) {\\n  vec3 xposition = view * vec3(position, 1.0);\\n  return vec4(\\n    xposition.xy + scale * offset * xposition.z,\\n    0,\\n    xposition.z);\\n}\\n\\n\\n\\n\\nvoid main() {\\n  fragColor = color;\\n\\n  gl_Position = computePosition_1_0(\\n    position,\\n    offset,\\n    viewTransform,\\n    pixelScale);\\n}\\n\",fragment:\"precision lowp float;\\n#define GLSLIFY 1\\nvarying vec4 fragColor;\\nvoid main() {\\n  gl_FragColor = vec4(fragColor.rgb * fragColor.a, fragColor.a);\\n}\\n\",pickVertex:\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec2 position;\\nattribute vec2 offset;\\nattribute vec4 id;\\n\\nuniform mat3 viewTransform;\\nuniform vec2 pixelScale;\\nuniform vec4 pickOffset;\\n\\nvarying vec4 fragColor;\\n\\nvec4 computePosition_1_0(vec2 position, vec2 offset, mat3 view, vec2 scale) {\\n  vec3 xposition = view * vec3(position, 1.0);\\n  return vec4(\\n    xposition.xy + scale * offset * xposition.z,\\n    0,\\n    xposition.z);\\n}\\n\\n\\n\\n\\nvoid main() {\\n  vec4 fragId = id + pickOffset;\\n\\n  fragId.y += floor(fragId.x / 256.0);\\n  fragId.x -= floor(fragId.x / 256.0) * 256.0;\\n\\n  fragId.z += floor(fragId.y / 256.0);\\n  fragId.y -= floor(fragId.y / 256.0) * 256.0;\\n\\n  fragId.w += floor(fragId.z / 256.0);\\n  fragId.z -= floor(fragId.z / 256.0) * 256.0;\\n\\n  fragColor = fragId / 255.0;\\n\\n  gl_Position = computePosition_1_0(\\n    position,\\n    offset,\\n    viewTransform,\\n    pixelScale);\\n}\\n\",pickFragment:\"precision lowp float;\\n#define GLSLIFY 1\\nvarying vec4 fragColor;\\nvoid main() {\\n  gl_FragColor = fragColor;\\n}\\n\"}},{}],191:[function(t,e,r){\"use strict\";function n(t){if(t in f)return f[t];var e=c(t,{polygons:!0,font:\"sans-serif\",textAlign:\"left\",textBaseline:\"alphabetic\"}),r=[],n=[];e.forEach(function(t){t.forEach(function(t){for(var e=0;e<t.length;++e){var i=t[(e+t.length-1)%t.length],o=t[e],a=t[(e+1)%t.length],s=t[(e+2)%t.length],l=o[0]-i[0],u=o[1]-i[1],c=Math.sqrt(l*l+u*u);l/=c,u/=c,r.push(i[0],i[1]+1.4),n.push(u,-l),r.push(i[0],i[1]+1.4),n.push(-u,l),r.push(o[0],o[1]+1.4),n.push(-u,l),r.push(o[0],o[1]+1.4),n.push(-u,l),r.push(i[0],i[1]+1.4),n.push(u,-l),r.push(o[0],o[1]+1.4),n.push(u,-l);var h=s[0]-a[0],f=s[1]-a[1],d=Math.sqrt(h*h+f*f);h/=d,f/=d,r.push(o[0],o[1]+1.4),n.push(u,-l),r.push(o[0],o[1]+1.4),n.push(-u,l),r.push(a[0],a[1]+1.4),n.push(-f,h),r.push(a[0],a[1]+1.4),n.push(-f,h),r.push(o[0],o[1]+1.4),n.push(f,-h),r.push(a[0],a[1]+1.4),n.push(f,-h)}})});for(var i=[1/0,1/0,-(1/0),-(1/0)],o=0;o<r.length;o+=2)for(var a=0;2>a;++a)i[a]=Math.min(i[a],r[o+a]),i[2+a]=Math.max(i[2+a],r[o+a]);return f[t]={coords:r,normals:n,bounds:i}}function i(t,e,r,n,i,o,a){this.plot=t,this.shader=e,this.pickShader=r,this.positionBuffer=n,this.offsetBuffer=i,this.colorBuffer=o,this.idBuffer=a,this.bounds=[1/0,1/0,-(1/0),-(1/0)],this.numPoints=0,this.numVertices=0,this.pickOffset=0,this.points=null}function o(t,e){var r=t.gl,n=a(r,h.vertex,h.fragment),o=a(r,h.pickVertex,h.pickFragment),l=s(r),u=s(r),c=s(r),f=s(r),d=new i(t,n,o,l,u,c,f);return d.update(e),t.addObject(d),d}e.exports=o;var a=t(\"gl-shader\"),s=t(\"gl-buffer\"),l=t(\"text-cache\"),u=t(\"typedarray-pool\"),c=t(\"vectorize-text\"),h=t(\"./lib/shaders\"),f={},d=i.prototype;!function(){function t(){var t=this.plot,n=this.bounds,i=t.viewBox,o=t.dataBox,a=t.pixelRatio,s=n[2]-n[0],l=n[3]-n[1],u=o[2]-o[0],c=o[3]-o[1];e[0]=2*s/u,e[4]=2*l/c,e[6]=2*(n[0]-o[0])/u-1,e[7]=2*(n[1]-o[1])/c-1;var h=i[2]-i[0],f=i[3]-i[1];r[0]=2*a/h,r[1]=2*a/f}var e=[1,0,0,0,1,0,0,0,1],r=[1,1];d.draw=function(){var n=this.plot,i=this.shader,o=this.numVertices;if(o){var a=n.gl;t.call(this),i.bind(),i.uniforms.pixelScale=r,i.uniforms.viewTransform=e,this.positionBuffer.bind(),i.attributes.position.pointer(),this.offsetBuffer.bind(),i.attributes.offset.pointer(),this.colorBuffer.bind(),i.attributes.color.pointer(a.UNSIGNED_BYTE,!0),a.drawArrays(a.TRIANGLES,0,o)}};var n=[0,0,0,0];d.drawPick=function(i){var o=this.plot,a=this.pickShader,s=this.numVertices,l=o.gl;if(this.pickOffset=i,!s)return i;for(var u=0;4>u;++u)n[u]=i>>8*u&255;return t.call(this),a.bind(),a.uniforms.pixelScale=r,a.uniforms.viewTransform=e,a.uniforms.pickOffset=n,this.positionBuffer.bind(),a.attributes.position.pointer(),this.offsetBuffer.bind(),a.attributes.offset.pointer(),this.idBuffer.bind(),a.attributes.id.pointer(l.UNSIGNED_BYTE,!1),l.drawArrays(l.TRIANGLES,0,s),i+this.numPoints}}(),d.pick=function(t,e,r){var n=this.pickOffset,i=this.numPoints;if(n>r||r>=n+i)return null;var o=r-n,a=this.points;return{object:this,pointId:o,dataCoord:[a[2*o],a[2*o+1]]}},d.update=function(t){t=t||{};var e=t.positions||[],r=t.colors||[],i=t.glyphs||[],o=t.sizes||[],a=t.borderWidths||[],s=t.borderColors||[];this.points=e;for(var c=this.bounds=[1/0,1/0,-(1/0),-(1/0)],h=0,f=0;f<i.length;++f){h+=l(\"sans-serif\",i[f]).data.length+n(i[f]).coords.length>>1;for(var d=0;2>d;++d)c[d]=Math.min(c[d],e[2*f+d]),c[2+d]=Math.max(c[2+d],e[2*f+d])}c[0]===c[2]&&(c[2]+=1),c[3]===c[1]&&(c[3]+=1);for(var p=1/(c[2]-c[0]),v=1/(c[3]-c[1]),m=c[0],g=c[1],y=u.mallocFloat32(2*h),b=u.mallocFloat32(2*h),x=u.mallocUint8(4*h),_=u.mallocUint32(h),w=0,f=0;f<i.length;++f){for(var M=l(\"sans-serif\",i[f]),k=n(i[f]),A=p*(e[2*f]-m),T=v*(e[2*f+1]-g),E=o[f],S=255*r[4*f],L=255*r[4*f+1],z=255*r[4*f+2],I=255*r[4*f+3],P=.5*(k.bounds[0]+k.bounds[2]),C=.5*(k.bounds[1]+k.bounds[3]),d=0;d<M.data.length;d+=2)y[2*w]=A,y[2*w+1]=T,b[2*w]=-E*(M.data[d]-P),b[2*w+1]=-E*(M.data[d+1]-C),x[4*w]=S,x[4*w+1]=L,x[4*w+2]=z,x[4*w+3]=I,_[w]=f,w+=1;var R=a[f];S=255*s[4*f],L=255*s[4*f+1],z=255*s[4*f+2],I=255*s[4*f+3];for(var d=0;d<k.coords.length;d+=2)y[2*w]=A,y[2*w+1]=T,b[2*w]=-(E*(k.coords[d]-P)+R*k.normals[d]),b[2*w+1]=-(E*(k.coords[d+1]-C)+R*k.normals[d+1]),x[4*w]=S,x[4*w+1]=L,x[4*w+2]=z,x[4*w+3]=I,_[w]=f,w+=1}this.numPoints=i.length,this.numVertices=h,this.positionBuffer.update(y),this.offsetBuffer.update(b),this.colorBuffer.update(x),this.idBuffer.update(_),u.free(y),u.free(b),u.free(x),u.free(_)},d.dispose=function(){this.shader.dispose(),this.pickShader.dispose(),this.positionBuffer.dispose(),this.offsetBuffer.dispose(),this.colorBuffer.dispose(),this.idBuffer.dispose(),this.plot.removeObject(this)}},{\"./lib/shaders\":190,\"gl-buffer\":124,\"gl-shader\":203,\"text-cache\":453,\"typedarray-pool\":458,\"vectorize-text\":460}],192:[function(t,e,r){r.pointVertex=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec2 position;\\nattribute float weight;\\n\\nuniform mat3 matrix;\\nuniform float pointSize, useWeight;\\n\\nvarying float fragWeight;\\n\\nvoid main() {\\n  vec3 hgPosition = matrix * vec3(position, 1);\\n  gl_Position  = vec4(hgPosition.xy, 0, hgPosition.z);\\n  gl_PointSize = pointSize;\\n  fragWeight = mix(1.0, weight, useWeight);\\n}\\n\",r.pointFragment=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nuniform vec4 color, borderColor;\\nuniform float centerFraction;\\n\\nvarying float fragWeight;\\n\\nfloat smoothStep(float x, float y) {\\n  return 1.0 / (1.0 + exp(50.0*(x - y)));\\n}\\n\\nvoid main() {\\n  float radius = length(2.0*gl_PointCoord.xy-1.0);\\n  if(radius > 1.0) {\\n    discard;\\n  }\\n  vec4 baseColor = mix(borderColor, color, smoothStep(radius, centerFraction));\\n  float alpha = 1.0 - pow(1.0 - baseColor.a, fragWeight);\\n  gl_FragColor = vec4(baseColor.rgb * alpha, alpha);\\n}\\n\",r.pickVertex=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec2 position;\\nattribute vec4 pickId;\\n\\nuniform mat3 matrix;\\nuniform float pointSize;\\nuniform vec4 pickOffset;\\n\\nvarying vec4 fragId;\\n\\nvoid main() {\\n  vec3 hgPosition = matrix * vec3(position, 1);\\n  gl_Position  = vec4(hgPosition.xy, 0, hgPosition.z);\\n  gl_PointSize = pointSize;\\n\\n  vec4 id = pickId + pickOffset;\\n  id.y += floor(id.x / 256.0);\\n  id.x -= floor(id.x / 256.0) * 256.0;\\n\\n  id.z += floor(id.y / 256.0);\\n  id.y -= floor(id.y / 256.0) * 256.0;\\n\\n  id.w += floor(id.z / 256.0);\\n  id.z -= floor(id.z / 256.0) * 256.0;\\n\\n  fragId = id;\\n}\\n\",r.pickFragment=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nvarying vec4 fragId;\\n\\nvoid main() {\\n  float radius = length(2.0*gl_PointCoord.xy-1.0);\\n  if(radius > 1.0) {\\n    discard;\\n  }\\n  gl_FragColor = fragId / 255.0;\\n}\\n\"},{}],193:[function(t,e,r){arguments[4][68][0].apply(r,arguments)},{dup:68}],194:[function(t,e,r){\"use strict\";function n(t,e,r,n,o){4*f>=o?i(0,o-1,t,e,r,n):h(0,o-1,t,e,r,n)}function i(t,e,r,n,i,o){for(var a=t+1;e>=a;++a){for(var s=r[a],l=n[2*a],u=n[2*a+1],c=i[a],h=o[a],f=a;f>t;){var d=r[f-1],p=n[2*(f-1)];if((d-s||l-p)>=0)break;r[f]=d,n[2*f]=p,n[2*f+1]=n[2*f-1],i[f]=i[f-1],o[f]=o[f-1],f-=1}r[f]=s,n[2*f]=l,n[2*f+1]=u,i[f]=c,o[f]=h}}function o(t,e,r,n,i,o){var a=r[t],s=n[2*t],l=n[2*t+1],u=i[t],c=o[t];r[t]=r[e],n[2*t]=n[2*e],n[2*t+1]=n[2*e+1],i[t]=i[e],o[t]=o[e],r[e]=a,n[2*e]=s,n[2*e+1]=l,i[e]=u,o[e]=c}function a(t,e,r,n,i,o){r[t]=r[e],n[2*t]=n[2*e],n[2*t+1]=n[2*e+1],i[t]=i[e],o[t]=o[e]}function s(t,e,r,n,i,o,a){var s=n[t],l=i[2*t],u=i[2*t+1],c=o[t],h=a[t];n[t]=n[e],i[2*t]=i[2*e],i[2*t+1]=i[2*e+1],o[t]=o[e],a[t]=a[e],n[e]=n[r],i[2*e]=i[2*r],i[2*e+1]=i[2*r+1],o[e]=o[r],a[e]=a[r],n[r]=s,i[2*r]=l,i[2*r+1]=u,o[r]=c,a[r]=h}function l(t,e,r,n,i,o,a,s,l,u,c){s[t]=s[e],l[2*t]=l[2*e],l[2*t+1]=l[2*e+1],u[t]=u[e],c[t]=c[e],s[e]=r,l[2*e]=n,l[2*e+1]=i,u[e]=o,c[e]=a}function u(t,e,r,n,i){return(r[t]-r[e]||n[2*e]-n[2*t]||i[t]-i[e])<0}function c(t,e,r,n,i,o,a,s){return(e-o[t]||a[2*t]-r||i-s[t])<0}function h(t,e,r,n,d,p){var v=(e-t+1)/6|0,m=t+v,g=e-v,y=t+e>>1,b=y-v,x=y+v,_=m,w=b,M=y,k=x,A=g,T=t+1,E=e-1,S=0;u(_,w,r,n,d,p)&&(S=_,_=w,w=S),u(k,A,r,n,d,p)&&(S=k,k=A,A=S),u(_,M,r,n,d,p)&&(S=_,_=M,M=S),u(w,M,r,n,d,p)&&(S=w,w=M,M=S),u(_,k,r,n,d,p)&&(S=_,_=k,k=S),u(M,k,r,n,d,p)&&(S=M,\nM=k,k=S),u(w,A,r,n,d,p)&&(S=w,w=A,A=S),u(w,M,r,n,d,p)&&(S=w,w=M,M=S),u(k,A,r,n,d,p)&&(S=k,k=A,A=S);var L=r[w],z=n[2*w],I=n[2*w+1],P=d[w],C=p[w],R=r[k],D=n[2*k],O=n[2*k+1],F=d[k],j=p[k],N=_,B=M,U=A,V=m,q=y,G=g,H=r[N],X=r[B],Y=r[U];r[V]=H,r[q]=X,r[G]=Y;for(var W=0;2>W;++W){var Z=n[2*N+W],K=n[2*B+W],J=n[2*U+W];n[2*V+W]=Z,n[2*q+W]=K,n[2*G+W]=J}var $=d[N],Q=d[B],tt=d[U];d[V]=$,d[q]=Q,d[G]=tt;var et=p[N],rt=p[B],nt=p[U];p[V]=et,p[q]=rt,p[G]=nt,a(b,t,r,n,d,p),a(x,e,r,n,d,p);for(var it=T;E>=it;++it)if(c(it,L,z,I,P,r,n,d))it!==T&&o(it,T,r,n,d,p),++T;else if(!c(it,R,D,O,F,r,n,d))for(;;){if(c(E,R,D,O,F,r,n,d)){c(E,L,z,I,P,r,n,d)?(s(it,T,E,r,n,d,p),++T,--E):(o(it,E,r,n,d,p),--E);break}if(--E<it)break}l(t,T-1,L,z,I,P,C,r,n,d,p),l(e,E+1,R,D,O,F,j,r,n,d,p),f>=T-2-t?i(t,T-2,r,n,d,p):h(t,T-2,r,n,d,p),f>=e-(E+2)?i(E+2,e,r,n,d,p):h(E+2,e,r,n,d,p),f>=E-T?i(T,E,r,n,d,p):h(T,E,r,n,d,p)}e.exports=n;var f=32},{}],195:[function(t,e,r){\"use strict\";function n(t,e,r,n,i,o,a,s){for(var l=r,u=r;n>u;++u){var c=t[2*u],h=t[2*u+1],f=e[u];c>=i&&a>=c&&h>=o&&s>=h&&(u===l?l+=1:(t[2*u]=t[2*l],t[2*u+1]=t[2*l+1],e[u]=e[l],t[2*l]=c,t[2*l+1]=h,e[l]=f,l+=1))}return l}function i(t,e,r){this.pixelSize=t,this.offset=e,this.count=r}function o(t,e,r,o){function l(i,o,a,s,u,c){var h=.5*a,f=s+1,d=u-s;r[_]=d,x[_++]=c;for(var p=0;2>p;++p)for(var v=0;2>v;++v){var m=i+p*h,g=o+v*h,y=n(t,e,f,u,m,g,m+h,g+h);if(y!==f){if(y-f>=Math.max(.9*d,32)){var b=u+s>>>1;l(m,g,h,f,b,c+1),f=b}l(m,g,h,f,y,c+1),f=y}}}var u=t.length>>>1;if(1>u)return[];for(var c=1/0,h=1/0,f=-(1/0),d=-(1/0),p=0;u>p;++p){var v=t[2*p],m=t[2*p+1];c=Math.min(c,v),f=Math.max(f,v),h=Math.min(h,m),d=Math.max(d,m),e[p]=p}c===f&&(f+=1+Math.abs(f)),h===d&&(d+=1+Math.abs(f));var g=1/(f-c),y=1/(d-h),b=Math.max(f-c,d-h);o=o||[0,0,0,0],o[0]=c,o[1]=h,o[2]=f,o[3]=d;var x=a.mallocInt32(u),_=0;l(c,h,b,0,u,0),s(x,t,e,r,u);for(var w=[],M=0,k=u,_=u-1;_>=0;--_){t[2*_]=(t[2*_]-c)*g,t[2*_+1]=(t[2*_+1]-h)*y;var A=x[_];A!==M&&(w.push(new i(b*Math.pow(.5,A),_+1,k-(_+1))),k=_+1,M=A)}return w.push(new i(b*Math.pow(.5,A+1),0,k)),a.free(x),w}var a=t(\"typedarray-pool\"),s=t(\"./lib/sort\");e.exports=o},{\"./lib/sort\":194,\"typedarray-pool\":458}],196:[function(t,e,r){\"use strict\";function n(t,e,r,n,i,o){this.plot=t,this.offsetBuffer=e,this.pickBuffer=r,this.weightBuffer=n,this.shader=i,this.pickShader=o,this.scales=[],this.size=12,this.borderSize=1,this.pointCount=0,this.color=[1,0,0,1],this.borderColor=[0,0,0,1],this.bounds=[1/0,1/0,-(1/0),-(1/0)],this.pickOffset=0,this.points=null,this.xCoords=null}function i(t,e){var r=t.gl,i=a(r),s=a(r),l=a(r),u=o(r,c.pointVertex,c.pointFragment),h=o(r,c.pickVertex,c.pickFragment),f=new n(t,i,s,l,u,h);return f.update(e),t.addObject(f),f}var o=t(\"gl-shader\"),a=t(\"gl-buffer\"),s=t(\"binary-search-bounds\"),l=t(\"snap-points-2d\"),u=t(\"typedarray-pool\"),c=t(\"./lib/shader\");e.exports=i;var h=n.prototype;h.dispose=function(){this.shader.dispose(),this.pickShader.dispose(),this.offsetBuffer.dispose(),this.pickBuffer.dispose(),this.xCoords&&u.free(this.xCoords),this.plot.removeObject(this)},h.update=function(t){function e(e,r){return e in t?t[e]:r}t=t||{},this.size=e(\"size\",12),this.color=e(\"color\",[1,0,0,1]).slice(),this.borderSize=e(\"borderSize\",1),this.borderColor=e(\"borderColor\",[0,0,0,1]).slice(),this.xCoords&&u.free(this.xCoords);var r=t.positions,n=u.mallocFloat32(r.length),i=u.mallocInt32(r.length>>>1);n.set(r);var o=u.mallocFloat32(r.length);this.points=r,this.scales=l(n,i,o,this.bounds),this.offsetBuffer.update(n),this.pickBuffer.update(i),this.weightBuffer.update(o);for(var a=u.mallocFloat32(r.length>>>1),s=0,c=0;s<r.length;s+=2,++c)a[c]=n[s];u.free(i),u.free(n),u.free(o),this.xCoords=a,this.pointCount=r.length>>>1,this.pickOffset=0},h.drawPick=function(){var t=[1,0,0,0,1,0,0,0,1],e=[0,0,0,0];return function(r){var n=this.plot,i=this.pickShader,o=this.scales,a=this.offsetBuffer,l=this.pickBuffer,u=this.bounds,c=this.size,h=this.borderSize,f=n.gl,d=n.pickPixelRatio,p=n.viewBox,v=n.dataBox;if(0===this.pointCount)return r;var m=u[2]-u[0],g=u[3]-u[1],y=v[2]-v[0],b=v[3]-v[1],x=(p[2]-p[0])*d/n.pixelRatio,_=(p[3]-p[1])*d/n.pixelRatio,w=Math.min(y/x,b/_);t[0]=2*m/y,t[4]=2*g/b,t[6]=2*(u[0]-v[0])/y-1,t[7]=2*(u[1]-v[1])/b-1,this.pickOffset=r,e[0]=255&r,e[1]=r>>8&255,e[2]=r>>16&255,e[3]=r>>24&255,i.bind(),i.uniforms.matrix=t,i.uniforms.color=this.color,i.uniforms.borderColor=this.borderColor,i.uniforms.pointSize=d*(c+h),i.uniforms.pickOffset=e,0===this.borderSize?i.uniforms.centerFraction=2:i.uniforms.centerFraction=c/(c+h+1.25),a.bind(),i.attributes.position.pointer(),l.bind(),i.attributes.pickId.pointer(f.UNSIGNED_BYTE);for(var M=this.xCoords,k=(v[0]-u[0]-w*c*d)/m,A=(v[2]-u[0]+w*c*d)/m,T=o.length-1;T>=0;--T){var E=o[T];if(!(E.pixelSize<w&&T>1)){var S=E.offset,L=E.count+S,z=s.ge(M,k,S,L-1),I=s.lt(M,A,z,L-1)+1;I>z&&f.drawArrays(f.POINTS,z,I-z)}}return r+this.pointCount}}(),h.draw=function(){var t=[1,0,0,0,1,0,0,0,1];return function(){var e=this.plot,r=this.shader,n=this.scales,i=this.offsetBuffer,o=this.bounds,a=this.size,l=this.borderSize,u=e.gl,c=e.pixelRatio,h=e.viewBox,f=e.dataBox;if(0!==this.pointCount){var d=o[2]-o[0],p=o[3]-o[1],v=f[2]-f[0],m=f[3]-f[1],g=h[2]-h[0],y=h[3]-h[1],b=Math.min(v/g,m/y);t[0]=2*d/v,t[4]=2*p/m,t[6]=2*(o[0]-f[0])/v-1,t[7]=2*(o[1]-f[1])/m-1,r.bind(),r.uniforms.matrix=t,r.uniforms.color=this.color,r.uniforms.borderColor=this.borderColor,r.uniforms.pointSize=c*(a+l),r.uniforms.useWeight=1,0===this.borderSize?r.uniforms.centerFraction=2:r.uniforms.centerFraction=a/(a+l+1.25),i.bind(),r.attributes.position.pointer(),this.weightBuffer.bind(),r.attributes.weight.pointer();for(var x=this.xCoords,_=(f[0]-o[0]-b*a*c)/d,w=(f[2]-o[0]+b*a*c)/d,M=!0,k=n.length-1;k>=0;--k){var A=n[k];if(!(A.pixelSize<b&&k>1)){var T=A.offset,E=A.count+T,S=s.ge(x,_,T,E-1),L=s.lt(x,w,S,E-1)+1;L>S&&u.drawArrays(u.POINTS,S,L-S),M&&(M=!1,r.uniforms.useWeight=0)}}}}}(),h.pick=function(t,e,r){var n=this.pickOffset,i=this.pointCount;if(n>r||r>=n+i)return null;var o=r-n,a=this.points;return{object:this,pointId:o,dataCoord:[a[2*o],a[2*o+1]]}}},{\"./lib/shader\":192,\"binary-search-bounds\":193,\"gl-buffer\":124,\"gl-shader\":203,\"snap-points-2d\":195,\"typedarray-pool\":458}],197:[function(t,e,r){\"use strict\";function n(t,e){var r=o[e];if(r||(r=o[e]={}),t in r)return r[t];for(var n=i(t,{textAlign:\"center\",textBaseline:\"middle\",lineHeight:1,font:e}),a=i(t,{triangles:!0,textAlign:\"center\",textBaseline:\"middle\",lineHeight:1,font:e}),s=[[1/0,1/0],[-(1/0),-(1/0)]],l=0;l<n.positions.length;++l)for(var u=n.positions[l],c=0;2>c;++c)s[0][c]=Math.min(s[0][c],u[c]),s[1][c]=Math.max(s[1][c],u[c]);return r[t]=[a,n,s]}var i=t(\"vectorize-text\");e.exports=n;var o={}},{\"vectorize-text\":460}],198:[function(t,e,r){function n(t,e){var r=i(t,e),n=r.attributes;return n.position.location=0,n.color.location=1,n.glyph.location=2,n.id.location=3,r}var i=t(\"gl-shader\"),o=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec3 position;\\nattribute vec4 color;\\nattribute vec2 glyph;\\nattribute vec4 id;\\n\\n\\nuniform vec4 highlightId;\\nuniform float highlightScale;\\nuniform mat4 model, view, projection;\\nuniform vec3 clipBounds[2];\\n\\nvarying vec4 interpColor;\\nvarying vec4 pickId;\\nvarying vec3 dataCoordinate;\\n\\nvoid main() {\\n  if(any(lessThan(position, clipBounds[0]))   || \\n     any(greaterThan(position, clipBounds[1])) ) {\\n    gl_Position = vec4(0,0,0,0);\\n  } else {\\n    float scale = 1.0;\\n    if(distance(highlightId, id) < 0.0001) {\\n      scale = highlightScale;\\n    }\\n\\n    vec4 worldPosition = model * vec4(position, 1);\\n    vec4 viewPosition = view * worldPosition;\\n    viewPosition = viewPosition / viewPosition.w;\\n    vec4 clipPosition = projection * (viewPosition + scale * vec4(glyph.x, -glyph.y, 0, 0));\\n    \\n    gl_Position = clipPosition;\\n    interpColor = color;\\n    pickId = id;\\n    dataCoordinate = position;\\n  }\\n}\",a=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec3 position;\\nattribute vec4 color;\\nattribute vec2 glyph;\\nattribute vec4 id;\\n\\nuniform mat4 model, view, projection;\\nuniform vec2 screenSize;\\nuniform vec3 clipBounds[2];\\nuniform float highlightScale, pixelRatio;\\nuniform vec4 highlightId;\\n\\nvarying vec4 interpColor;\\nvarying vec4 pickId;\\nvarying vec3 dataCoordinate;\\n\\nvoid main() {\\n  if(any(lessThan(position, clipBounds[0])) || any(greaterThan(position, clipBounds[1]))) {\\n    gl_Position = vec4(0,0,0,0);\\n  } else {\\n    float scale = pixelRatio;\\n    if(distance(highlightId.bgr, id.bgr) < 0.001) {\\n      scale *= highlightScale;\\n    }\\n\\n    vec4 worldPosition = model * vec4(position, 1.0);\\n    vec4 viewPosition = view * worldPosition;\\n    vec4 clipPosition = projection * viewPosition;\\n    clipPosition /= clipPosition.w;\\n    \\n    gl_Position = clipPosition + vec4(screenSize * scale * vec2(glyph.x, -glyph.y), 0.0, 0.0);\\n    interpColor = color;\\n    pickId = id;\\n    dataCoordinate = position;\\n  }\\n}\",s=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec3 position;\\nattribute vec4 color;\\nattribute vec2 glyph;\\nattribute vec4 id;\\n\\nuniform float highlightScale;\\nuniform vec4 highlightId;\\nuniform vec3 axes[2];\\nuniform mat4 model, view, projection;\\nuniform vec2 screenSize;\\nuniform vec3 clipBounds[2];\\nuniform float scale, pixelRatio;\\n\\nvarying vec4 interpColor;\\nvarying vec4 pickId;\\nvarying vec3 dataCoordinate;\\n\\nvoid main() {\\n  if(any(lessThan(position, clipBounds[0]))   ||\\n     any(greaterThan(position, clipBounds[1])) ) {\\n    gl_Position = vec4(0,0,0,0);\\n  } else {\\n    float lscale = pixelRatio * scale;\\n    if(distance(highlightId, id) < 0.0001) {\\n      lscale *= highlightScale;\\n    }\\n\\n    vec4 clipCenter   = projection * view * model * vec4(position, 1);\\n    vec3 dataPosition = position + 0.5*lscale*(axes[0] * glyph.x + axes[1] * glyph.y) * clipCenter.w * screenSize.y;\\n    vec4 clipPosition = projection * view * model * vec4(dataPosition, 1);\\n\\n    gl_Position = clipPosition;\\n    interpColor = color;\\n    pickId = id;\\n    dataCoordinate = dataPosition;\\n  }\\n}\\n\",l=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nuniform vec3 fragClipBounds[2];\\nuniform float opacity;\\n\\nvarying vec4 interpColor;\\nvarying vec4 pickId;\\nvarying vec3 dataCoordinate;\\n\\nvoid main() {\\n  if(any(lessThan(dataCoordinate, fragClipBounds[0]))   ||\\n     any(greaterThan(dataCoordinate, fragClipBounds[1])) ) {\\n    discard;\\n  } else {\\n    gl_FragColor = interpColor * opacity;\\n  }\\n}\\n\",u=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nuniform vec3 fragClipBounds[2];\\nuniform float pickGroup;\\n\\nvarying vec4 pickId;\\nvarying vec3 dataCoordinate;\\n\\nvoid main() {\\n  if(any(lessThan(dataCoordinate, fragClipBounds[0]))   || \\n     any(greaterThan(dataCoordinate, fragClipBounds[1])) ) {\\n    discard;\\n  } else {\\n    gl_FragColor = vec4(pickGroup, pickId.bgr);\\n  }\\n}\",c=[{name:\"position\",type:\"vec3\"},{name:\"color\",type:\"vec4\"},{name:\"glyph\",type:\"vec2\"},{name:\"id\",type:\"vec4\"}],h={vertex:o,fragment:l,attributes:c},f={vertex:a,fragment:l,attributes:c},d={vertex:s,fragment:l,attributes:c},p={vertex:o,fragment:u,attributes:c},v={vertex:a,fragment:u,attributes:c},m={vertex:s,fragment:u,attributes:c};r.createPerspective=function(t){return n(t,h)},r.createOrtho=function(t){return n(t,f)},r.createProject=function(t){return n(t,d)},r.createPickPerspective=function(t){return n(t,p)},r.createPickOrtho=function(t){return n(t,v)},r.createPickProject=function(t){return n(t,m)}},{\"gl-shader\":203}],199:[function(t,e,r){\"use strict\";function n(t,e){var r=t[0],n=t[1],i=t[2],o=t[3];return t[0]=e[0]*r+e[4]*n+e[8]*i+e[12]*o,t[1]=e[1]*r+e[5]*n+e[9]*i+e[13]*o,t[2]=e[2]*r+e[6]*n+e[10]*i+e[14]*o,t[3]=e[3]*r+e[7]*n+e[11]*i+e[15]*o,t}function i(t,e,r,i){return n(i,i,r),n(i,i,e),n(i,i,t)}function o(t,e){this.index=t,this.dataCoordinate=this.position=e}function a(t,e,r,n,i,a,s,l,u,c,h,f){this.gl=t,this.pixelRatio=1,this.shader=e,this.orthoShader=r,this.projectShader=n,this.pointBuffer=i,this.colorBuffer=a,this.glyphBuffer=s,this.idBuffer=l,this.vao=u,this.vertexCount=0,this.lineVertexCount=0,this.opacity=1,this.lineWidth=0,this.projectScale=[2/3,2/3,2/3],this.projectOpacity=[1,1,1],this.pickId=0,this.pickPerspectiveShader=c,this.pickOrthoShader=h,this.pickProjectShader=f,this.points=[],this._selectResult=new o(0,[0,0,0]),this.useOrtho=!0,this.bounds=[[1/0,1/0,1/0],[-(1/0),-(1/0),-(1/0)]],this.axesProject=[!0,!0,!0],this.axesBounds=[[-(1/0),-(1/0),-(1/0)],[1/0,1/0,1/0]],this.highlightId=[1,1,1,1],this.highlightScale=2,this.clipBounds=[[-(1/0),-(1/0),-(1/0)],[1/0,1/0,1/0]],this.dirty=!0}function s(t){return t[0]=t[1]=t[2]=0,t}function l(t,e){return t[0]=e[0],t[1]=e[1],t[2]=e[2],t[3]=1,t}function u(t,e,r,n){return t[0]=e[0],t[1]=e[1],t[2]=e[2],t[r]=n,t}function c(t){for(var e=L,r=0;2>r;++r)for(var n=0;3>n;++n)e[r][n]=Math.max(Math.min(t[r][n],1e8),-1e8);return e}function h(t,e,r,n,o){var a,h=e.axesProject,f=e.gl,d=t.uniforms,p=r.model||x,v=r.view||x,m=r.projection||x,y=e.axesBounds,b=c(e.clipBounds);a=e.axes?e.axes.lastCubeProps.axis:[1,1,1],w[0]=2/f.drawingBufferWidth,w[1]=2/f.drawingBufferHeight,t.bind(),d.view=v,d.projection=m,d.screenSize=w,d.highlightId=e.highlightId,d.highlightScale=e.highlightScale,d.clipBounds=b,d.pickGroup=e.pickId/255,d.pixelRatio=e.pixelRatio;for(var _=0;3>_;++_)if(h[_]&&e.projectOpacity[_]<1===n){d.scale=e.projectScale[_],d.opacity=e.projectOpacity[_];for(var L=E,z=0;16>z;++z)L[z]=0;for(var z=0;4>z;++z)L[5*z]=1;L[5*_]=0,a[_]<0?L[12+_]=y[0][_]:L[12+_]=y[1][_],g(L,p,L),d.model=L;var I=(_+1)%3,P=(_+2)%3,C=s(M),R=s(k);C[I]=1,R[P]=1;var D=i(m,v,p,l(A,C)),O=i(m,v,p,l(T,R));if(Math.abs(D[1])>Math.abs(O[1])){var F=D;D=O,O=F,F=C,C=R,R=F;var j=I;I=P,P=j}D[0]<0&&(C[I]=-1),O[1]>0&&(R[P]=-1);for(var N=0,B=0,z=0;4>z;++z)N+=Math.pow(p[4*I+z],2),B+=Math.pow(p[4*P+z],2);C[I]/=Math.sqrt(N),R[P]/=Math.sqrt(B),d.axes[0]=C,d.axes[1]=R,d.fragClipBounds[0]=u(S,b[0],_,-1e8),d.fragClipBounds[1]=u(S,b[1],_,1e8),e.vao.draw(f.TRIANGLES,e.vertexCount),e.lineWidth>0&&(f.lineWidth(e.lineWidth),e.vao.draw(f.LINES,e.lineVertexCount,e.vertexCount))}}function f(t,e,r,n,i,o){var a=r.gl;if(r.vao.bind(),i===r.opacity<1||o){t.bind();var s=t.uniforms;s.model=n.model||x,s.view=n.view||x,s.projection=n.projection||x,w[0]=2/a.drawingBufferWidth,w[1]=2/a.drawingBufferHeight,s.screenSize=w,s.highlightId=r.highlightId,s.highlightScale=r.highlightScale,s.fragClipBounds=P,s.clipBounds=r.axes.bounds,s.opacity=r.opacity,s.pickGroup=r.pickId/255,s.pixelRatio=r.pixelRatio,r.vao.draw(a.TRIANGLES,r.vertexCount),r.lineWidth>0&&(a.lineWidth(r.lineWidth),r.vao.draw(a.LINES,r.lineVertexCount,r.vertexCount))}h(e,r,n,i,o),r.vao.unbind()}function d(t){var e=t.gl,r=y.createPerspective(e),n=y.createOrtho(e),i=y.createProject(e),o=y.createPickPerspective(e),s=y.createPickOrtho(e),l=y.createPickProject(e),u=p(e),c=p(e),h=p(e),f=p(e),d=v(e,[{buffer:u,size:3,type:e.FLOAT},{buffer:c,size:4,type:e.FLOAT},{buffer:h,size:2,type:e.FLOAT},{buffer:f,size:4,type:e.UNSIGNED_BYTE,normalized:!0}]),m=new a(e,r,n,i,u,c,h,f,d,o,s,l);return m.update(t),m}var p=t(\"gl-buffer\"),v=t(\"gl-vao\"),m=t(\"typedarray-pool\"),g=t(\"gl-mat4/multiply\"),y=t(\"./lib/shaders\"),b=t(\"./lib/glyphs\"),x=[1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1];e.exports=d;var _=a.prototype;_.pickSlots=1,_.setPickBase=function(t){this.pickId=t},_.isTransparent=function(){if(this.opacity<1)return!0;for(var t=0;3>t;++t)if(this.axesProject[t]&&this.projectOpacity[t]<1)return!0;return!1},_.isOpaque=function(){if(this.opacity>=1)return!0;for(var t=0;3>t;++t)if(this.axesProject[t]&&this.projectOpacity[t]>=1)return!0;return!1};var w=[0,0],M=[0,0,0],k=[0,0,0],A=[0,0,0,1],T=[0,0,0,1],E=x.slice(),S=[0,0,0],L=[[0,0,0],[0,0,0]],z=[-1e8,-1e8,-1e8],I=[1e8,1e8,1e8],P=[z,I];_.draw=function(t){var e=this.useOrtho?this.orthoShader:this.shader;f(e,this.projectShader,this,t,!1,!1)},_.drawTransparent=function(t){var e=this.useOrtho?this.orthoShader:this.shader;f(e,this.projectShader,this,t,!0,!1)},_.drawPick=function(t){var e=this.useOrtho?this.pickOrthoShader:this.pickPerspectiveShader;f(e,this.pickProjectShader,this,t,!1,!0)},_.pick=function(t){if(!t)return null;if(t.id!==this.pickId)return null;var e=t.value[2]+(t.value[1]<<8)+(t.value[0]<<16);if(e>=this.pointCount||0>e)return null;var r=this.points[e],n=this._selectResult;n.index=e;for(var i=0;3>i;++i)n.position[i]=n.dataCoordinate[i]=r[i];return n},_.highlight=function(t){if(t){var e=t.index,r=255&e,n=e>>8&255,i=e>>16&255;this.highlightId=[r/255,n/255,i/255,0]}else this.highlightId=[1,1,1,1]},_.update=function(t){if(t=t||{},\"perspective\"in t&&(this.useOrtho=!t.perspective),\"orthographic\"in t&&(this.useOrtho=!!t.orthographic),\"lineWidth\"in t&&(this.lineWidth=t.lineWidth),\"project\"in t)if(Array.isArray(t.project))this.axesProject=t.project;else{var e=!!t.project;this.axesProject=[e,e,e]}if(\"projectScale\"in t)if(Array.isArray(t.projectScale))this.projectScale=t.projectScale.slice();else{var r=+t.projectScale;this.projectScale=[r,r,r]}if(\"projectOpacity\"in t)if(Array.isArray(t.projectOpacity))this.projectOpacity=t.projectOpacity.slice();else{var r=+t.projectOpacity;this.projectOpacity=[r,r,r]}\"opacity\"in t&&(this.opacity=t.opacity),this.dirty=!0;var n=t.position;if(n){var i=t.font||\"normal\",o=t.alignment||[0,0],a=[1/0,1/0,1/0],s=[-(1/0),-(1/0),-(1/0)],l=t.glyph,u=t.color,c=t.size,h=t.angle,f=t.lineColor,d=0,p=0,v=0,g=n.length;t:for(var y=0;g>y;++y){for(var x=n[y],_=0;3>_;++_)if(isNaN(x[_])||!isFinite(x[_]))continue t;var w;w=Array.isArray(l)?b(l[y],i):l?b(l,i):b(\"\\u25cf\",i);var M=w[0],k=w[1],A=w[2];p+=3*M.cells.length,v+=2*k.edges.length}var T=p+v,E=m.mallocFloat(3*T),S=m.mallocFloat(4*T),L=m.mallocFloat(2*T),z=m.mallocUint32(T),I=[0,o[1]],P=0,C=p,R=[0,0,0,1],D=[0,0,0,1],O=Array.isArray(u)&&Array.isArray(u[0]),F=Array.isArray(f)&&Array.isArray(f[0]);t:for(var y=0;g>y;++y){for(var x=n[y],_=0;3>_;++_){if(isNaN(x[_])||!isFinite(x[_])){d+=1;continue t}s[_]=Math.max(s[_],x[_]),a[_]=Math.min(a[_],x[_])}var w;w=Array.isArray(l)?b(l[y],i):l?b(l,i):b(\"\\u25cf\",i);var M=w[0],k=w[1],A=w[2];if(Array.isArray(u)){var j;if(j=O?u[y]:u,3===j.length){for(var _=0;3>_;++_)R[_]=j[_];R[3]=1}else if(4===j.length)for(var _=0;4>_;++_)R[_]=j[_]}else R[0]=R[1]=R[2]=0,R[3]=1;if(Array.isArray(f)){var j;if(j=F?f[y]:f,3===j.length){for(var _=0;3>_;++_)D[_]=j[_];D[_]=1}else if(4===j.length)for(var _=0;4>_;++_)D[_]=j[_]}else D[0]=D[1]=D[2]=0,D[3]=1;var N=.5;Array.isArray(c)?N=+c[y]:c?N=+c:this.useOrtho&&(N=12);var B=0;Array.isArray(h)?B=+h[y]:h&&(B=+h);for(var U=Math.cos(B),V=Math.sin(B),x=n[y],_=0;3>_;++_)s[_]=Math.max(s[_],x[_]),a[_]=Math.min(a[_],x[_]);o[0]<0?I[0]=o[0]*(1+A[1][0]):o[0]>0&&(I[0]=-o[0]*(1+A[0][0]));for(var q=M.cells,G=M.positions,_=0;_<q.length;++_)for(var H=q[_],X=0;3>X;++X){for(var Y=0;3>Y;++Y)E[3*P+Y]=x[Y];for(var Y=0;4>Y;++Y)S[4*P+Y]=R[Y];z[P]=d;var W=G[H[X]];L[2*P]=N*(U*W[0]-V*W[1]+I[0]),L[2*P+1]=N*(V*W[0]+U*W[1]+I[1]),P+=1}for(var q=k.edges,G=k.positions,_=0;_<q.length;++_)for(var H=q[_],X=0;2>X;++X){for(var Y=0;3>Y;++Y)E[3*C+Y]=x[Y];for(var Y=0;4>Y;++Y)S[4*C+Y]=D[Y];z[C]=d;var W=G[H[X]];L[2*C]=N*(U*W[0]-V*W[1]+I[0]),L[2*C+1]=N*(V*W[0]+U*W[1]+I[1]),C+=1}d+=1}this.vertexCount=p,this.lineVertexCount=v,this.pointBuffer.update(E),this.colorBuffer.update(S),this.glyphBuffer.update(L),this.idBuffer.update(new Uint32Array(z)),m.free(E),m.free(S),m.free(L),m.free(z),this.bounds=[a,s],this.points=n,this.pointCount=n.length}},_.dispose=function(){this.shader.dispose(),this.orthoShader.dispose(),this.pickPerspectiveShader.dispose(),this.pickOrthoShader.dispose(),this.vao.dispose(),this.pointBuffer.dispose(),this.colorBuffer.dispose(),this.glyphBuffer.dispose(),this.idBuffer.dispose()}},{\"./lib/glyphs\":197,\"./lib/shaders\":198,\"gl-buffer\":124,\"gl-mat4/multiply\":145,\"gl-vao\":232,\"typedarray-pool\":458}],200:[function(t,e,r){\"use strict\";r.boxVertex=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec2 vertex;\\n\\nuniform vec2 cornerA, cornerB;\\n\\nvoid main() {\\n  gl_Position = vec4(mix(cornerA, cornerB, vertex), 0, 1);\\n}\\n\",r.boxFragment=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nuniform vec4 color;\\n\\nvoid main() {\\n  gl_FragColor = color;\\n}\\n\"},{}],201:[function(t,e,r){\"use strict\";function n(t,e,r){this.plot=t,this.boxBuffer=e,this.boxShader=r,this.enabled=!0,this.selectBox=[1/0,1/0,-(1/0),-(1/0)],this.borderColor=[0,0,0,1],this.innerFill=!1,this.innerColor=[0,0,0,.25],this.outerFill=!0,this.outerColor=[0,0,0,.5],this.borderWidth=10}function i(t,e){var r=t.gl,i=a(r,[0,0,0,1,1,0,1,1]),l=o(r,s.boxVertex,s.boxFragment),u=new n(t,i,l);return u.update(e),t.addOverlay(u),u}var o=t(\"gl-shader\"),a=t(\"gl-buffer\"),s=t(\"./lib/shaders\");e.exports=i;var l=n.prototype;l.draw=function(){if(this.enabled){var t=this.plot,e=this.selectBox,r=this.borderWidth,n=(this.innerFill,this.innerColor),i=(this.outerFill,this.outerColor),o=this.borderColor,a=t.box,s=t.screenBox,l=t.dataBox,u=t.viewBox,c=t.pixelRatio,h=(e[0]-l[0])*(u[2]-u[0])/(l[2]-l[0])+u[0],f=(e[1]-l[1])*(u[3]-u[1])/(l[3]-l[1])+u[1],d=(e[2]-l[0])*(u[2]-u[0])/(l[2]-l[0])+u[0],p=(e[3]-l[1])*(u[3]-u[1])/(l[3]-l[1])+u[1];if(h=Math.max(h,u[0]),f=Math.max(f,u[1]),d=Math.min(d,u[2]),p=Math.min(p,u[3]),!(h>d||f>p)){a.bind();var v=s[2]-s[0],m=s[3]-s[1];if(this.outerFill&&(a.drawBox(0,0,v,f,i),a.drawBox(0,f,h,p,i),a.drawBox(0,p,v,m,i),a.drawBox(d,f,v,p,i)),this.innerFill&&a.drawBox(h,f,d,p,n),r>0){var g=r*c;a.drawBox(h-g,f-g,d+g,f+g,o),a.drawBox(h-g,p-g,d+g,p+g,o),a.drawBox(h-g,f-g,h+g,p+g,o),a.drawBox(d-g,f-g,d+g,p+g,o)}}}},l.update=function(t){t=t||{},this.innerFill=!!t.innerFill,this.outerFill=!!t.outerFill,this.innerColor=(t.innerColor||[0,0,0,.5]).slice(),this.outerColor=(t.outerColor||[0,0,0,.5]).slice(),this.borderColor=(t.borderColor||[0,0,0,1]).slice(),this.borderWidth=t.borderWidth||0,this.selectBox=(t.selectBox||this.selectBox).slice()},l.dispose=function(){this.boxBuffer.dispose(),this.boxShader.dispose(),this.plot.removeOverlay(this)}},{\"./lib/shaders\":200,\"gl-buffer\":124,\"gl-shader\":203}],202:[function(t,e,r){\"use strict\";function n(t,e,r,n,i){this.coord=[t,e],this.id=r,this.value=n,this.distance=i}function i(t,e,r){this.gl=t,this.fbo=e,this.buffer=r,this._readTimeout=null;var n=this;this._readCallback=function(){n.gl&&(e.bind(),t.readPixels(0,0,e.shape[0],e.shape[1],t.RGBA,t.UNSIGNED_BYTE,n.buffer),n._readTimeout=null)}}function o(t,e){var r=a(t,e),n=s.mallocUint8(e[0]*e[1]*4);return new i(t,r,n)}e.exports=o;var a=t(\"gl-fbo\"),s=t(\"typedarray-pool\"),l=t(\"ndarray\"),u=t(\"bit-twiddle\").nextPow2,c=t(\"cwise/lib/wrapper\")({args:[\"array\",{offset:[0,0,1],array:0},{offset:[0,0,2],array:0},{offset:[0,0,3],array:0},\"scalar\",\"scalar\",\"index\"],pre:{body:\"{this_closestD2=1e8,this_closestX=-1,this_closestY=-1}\",args:[],thisVars:[\"this_closestD2\",\"this_closestX\",\"this_closestY\"],localVars:[]},body:{body:\"{if(255>_inline_46_arg0_||255>_inline_46_arg1_||255>_inline_46_arg2_||255>_inline_46_arg3_){var _inline_46_l=_inline_46_arg4_-_inline_46_arg6_[0],_inline_46_a=_inline_46_arg5_-_inline_46_arg6_[1],_inline_46_f=_inline_46_l*_inline_46_l+_inline_46_a*_inline_46_a;_inline_46_f<this_closestD2&&(this_closestD2=_inline_46_f,this_closestX=_inline_46_arg6_[0],this_closestY=_inline_46_arg6_[1])}}\",args:[{name:\"_inline_46_arg0_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_46_arg1_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_46_arg2_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_46_arg3_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_46_arg4_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_46_arg5_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_46_arg6_\",lvalue:!1,rvalue:!0,count:4}],thisVars:[\"this_closestD2\",\"this_closestX\",\"this_closestY\"],localVars:[\"_inline_46_a\",\"_inline_46_f\",\"_inline_46_l\"]},post:{body:\"{return[this_closestX,this_closestY,this_closestD2]}\",args:[],thisVars:[\"this_closestD2\",\"this_closestX\",\"this_closestY\"],localVars:[]},debug:!1,funcName:\"cwise\",blockSize:64}),h=i.prototype;Object.defineProperty(h,\"shape\",{get:function(){return this.gl?this.fbo.shape.slice():[0,0]},set:function(t){if(this.gl){this.fbo.shape=t;var e=this.fbo.shape[0],r=this.fbo.shape[1];if(r*e*4>this.buffer.length){s.free(this.buffer);for(var n=this.buffer=s.mallocUint8(u(r*e*4)),i=0;r*e*4>i;++i)n[i]=255}return t}}}),h.begin=function(){var t=this.gl;this.shape;t&&(this.fbo.bind(),t.clearColor(1,1,1,1),t.clear(t.COLOR_BUFFER_BIT|t.DEPTH_BUFFER_BIT))},h.end=function(){var t=this.gl;t&&(t.bindFramebuffer(t.FRAMEBUFFER,null),this._readTimeout||clearTimeout(this._readTimeout),this._readTimeout=setTimeout(this._readCallback,1))},h.query=function(t,e,r){if(!this.gl)return null;var i=this.fbo.shape.slice();t=0|t,e=0|e,\"number\"!=typeof r&&(r=1);var o=0|Math.min(Math.max(t-r,0),i[0]),a=0|Math.min(Math.max(t+r,0),i[0]),s=0|Math.min(Math.max(e-r,0),i[1]),u=0|Math.min(Math.max(e+r,0),i[1]);if(o>=a||s>=u)return null;var h=[a-o,u-s],f=l(this.buffer,[h[0],h[1],4],[4,4*i[0],1],4*(o+i[0]*s)),d=c(f.hi(h[0],h[1],1),r,r),p=d[0],v=d[1];if(0>p||Math.pow(this.radius,2)<d[2])return null;var m=f.get(p,v,0),g=f.get(p,v,1),y=f.get(p,v,2),b=f.get(p,v,3);return new n(p+o|0,v+s|0,m,[g,y,b],Math.sqrt(d[2]))},h.dispose=function(){this.gl&&(this.fbo.dispose(),s.free(this.buffer),this.gl=null,this._readTimeout&&clearTimeout(this._readTimeout))}},{\"bit-twiddle\":51,\"cwise/lib/wrapper\":118,\"gl-fbo\":129,ndarray:433,\"typedarray-pool\":458}],203:[function(t,e,r){\"use strict\";function n(t){this.gl=t,this._vref=this._fref=this._relink=this.vertShader=this.fragShader=this.program=this.attributes=this.uniforms=this.types=null}function i(t,e){return t.name<e.name?-1:1}function o(t,e,r,i,o){var a=new n(t);return a.update(e,r,i,o),a}var a=t(\"./lib/create-uniforms\"),s=t(\"./lib/create-attributes\"),l=t(\"./lib/reflect\"),u=t(\"./lib/shader-cache\"),c=t(\"./lib/runtime-reflect\"),h=t(\"./lib/GLError\"),f=n.prototype;f.bind=function(){this.program||this._relink(),this.gl.useProgram(this.program)},f.dispose=function(){this._fref&&this._fref.dispose(),this._vref&&this._vref.dispose(),this.attributes=this.types=this.vertShader=this.fragShader=this.program=this._relink=this._fref=this._vref=null},f.update=function(t,e,r,n){function o(){d.program=u.program(p,d._vref,d._fref,x,_);for(var t=0;t<r.length;++t)S[t]=p.getUniformLocation(d.program,r[t].name)}if(!e||1===arguments.length){var f=t;t=f.vertex,e=f.fragment,r=f.uniforms,n=f.attributes}var d=this,p=d.gl,v=d._vref;d._vref=u.shader(p,p.VERTEX_SHADER,t),v&&v.dispose(),d.vertShader=d._vref.shader;var m=this._fref;if(d._fref=u.shader(p,p.FRAGMENT_SHADER,e),m&&m.dispose(),d.fragShader=d._fref.shader,!r||!n){var g=p.createProgram();if(p.attachShader(g,d.fragShader),p.attachShader(g,d.vertShader),p.linkProgram(g),!p.getProgramParameter(g,p.LINK_STATUS)){var y=p.getProgramInfoLog(g);throw new h(y,\"Error linking program:\"+y)}r=r||c.uniforms(p,g),n=n||c.attributes(p,g),p.deleteProgram(g)}n=n.slice(),n.sort(i);for(var b=[],x=[],_=[],w=0;w<n.length;++w){var M=n[w];if(M.type.indexOf(\"mat\")>=0){for(var k=0|M.type.charAt(M.type.length-1),A=new Array(k),T=0;k>T;++T)A[T]=_.length,x.push(M.name+\"[\"+T+\"]\"),\"number\"==typeof M.location?_.push(M.location+T):Array.isArray(M.location)&&M.location.length===k&&\"number\"==typeof M.location[T]?_.push(0|M.location[T]):_.push(-1);b.push({name:M.name,type:M.type,locations:A})}else b.push({name:M.name,type:M.type,locations:[_.length]}),x.push(M.name),\"number\"==typeof M.location?_.push(0|M.location):_.push(-1)}for(var E=0,w=0;w<_.length;++w)if(_[w]<0){for(;_.indexOf(E)>=0;)E+=1;_[w]=E}var S=new Array(r.length);o(),d._relink=o,d.types={uniforms:l(r),attributes:l(n)},d.attributes=s(p,d,b,_),Object.defineProperty(d,\"uniforms\",a(p,d,r,S))},e.exports=o},{\"./lib/GLError\":204,\"./lib/create-attributes\":205,\"./lib/create-uniforms\":206,\"./lib/reflect\":207,\"./lib/runtime-reflect\":208,\"./lib/shader-cache\":209}],204:[function(t,e,r){function n(t,e,r){this.shortMessage=e||\"\",this.longMessage=r||\"\",this.rawError=t||\"\",this.message=\"gl-shader: \"+(e||t||\"\")+(r?\"\\n\"+r:\"\"),this.stack=(new Error).stack}n.prototype=new Error,n.prototype.name=\"GLError\",n.prototype.constructor=n,e.exports=n},{}],205:[function(t,e,r){\"use strict\";function n(t,e,r,n,i,o){this._gl=t,this._wrapper=e,this._index=r,this._locations=n,this._dimension=i,this._constFunc=o}function i(t,e,r,i,o,a,s){for(var l=[\"gl\",\"v\"],u=[],c=0;o>c;++c)l.push(\"x\"+c),u.push(\"x\"+c);l.push(\"if(x0.length===void 0){return gl.vertexAttrib\"+o+\"f(v,\"+u.join()+\")}else{return gl.vertexAttrib\"+o+\"fv(v,x0)}\");var h=Function.apply(null,l),f=new n(t,e,r,i,o,h);Object.defineProperty(a,s,{set:function(e){return t.disableVertexAttribArray(i[r]),h(t,i[r],e),e},get:function(){return f},enumerable:!0})}function o(t,e,r,n,o,a,s){for(var l=new Array(o),u=new Array(o),c=0;o>c;++c)i(t,e,r[c],n,o,l,c),u[c]=l[c];Object.defineProperty(l,\"location\",{set:function(t){if(Array.isArray(t))for(var e=0;o>e;++e)u[e].location=t[e];else for(var e=0;o>e;++e)u[e].location=t+e;return t},get:function(){for(var t=new Array(o),e=0;o>e;++e)t[e]=n[r[e]];return t},enumerable:!0}),l.pointer=function(e,i,a,s){e=e||t.FLOAT,i=!!i,a=a||o*o,s=s||0;for(var l=0;o>l;++l){var u=n[r[l]];t.vertexAttribPointer(u,o,e,i,a,s+l*o),t.enableVertexAttribArray(u)}};var h=new Array(o),f=t[\"vertexAttrib\"+o+\"fv\"];Object.defineProperty(a,s,{set:function(e){for(var i=0;o>i;++i){var a=n[r[i]];if(t.disableVertexAttribArray(a),Array.isArray(e[0]))f.call(t,a,e[i]);else{for(var s=0;o>s;++s)h[s]=e[o*i+s];f.call(t,a,h)}}return e},get:function(){return l},enumerable:!0})}function a(t,e,r,n){for(var a={},l=0,u=r.length;u>l;++l){var c=r[l],h=c.name,f=c.type,d=c.locations;switch(f){case\"bool\":case\"int\":case\"float\":i(t,e,d[0],n,1,a,h);break;default:if(f.indexOf(\"vec\")>=0){var p=f.charCodeAt(f.length-1)-48;if(2>p||p>4)throw new s(\"\",\"Invalid data type for attribute \"+h+\": \"+f);i(t,e,d[0],n,p,a,h)}else{if(!(f.indexOf(\"mat\")>=0))throw new s(\"\",\"Unknown data type for attribute \"+h+\": \"+f);var p=f.charCodeAt(f.length-1)-48;if(2>p||p>4)throw new s(\"\",\"Invalid data type for attribute \"+h+\": \"+f);o(t,e,d,n,p,a,h)}}}return a}e.exports=a;var s=t(\"./GLError\"),l=n.prototype;l.pointer=function(t,e,r,n){var i=this,o=i._gl,a=i._locations[i._index];o.vertexAttribPointer(a,i._dimension,t||o.FLOAT,!!e,r||0,n||0),o.enableVertexAttribArray(a)},l.set=function(t,e,r,n){return this._constFunc(this._locations[this._index],t,e,r,n)},Object.defineProperty(l,\"location\",{get:function(){return this._locations[this._index]},set:function(t){return t!==this._locations[this._index]&&(this._locations[this._index]=0|t,this._wrapper.program=null),0|t}})},{\"./GLError\":204}],206:[function(t,e,r){\"use strict\";function n(t){var e=new Function(\"y\",\"return function(){return y}\");return e(t)}function i(t,e){for(var r=new Array(t),n=0;t>n;++n)r[n]=e;return r}function o(t,e,r,o){function l(r){var n=new Function(\"gl\",\"wrapper\",\"locations\",\"return function(){return gl.getUniform(wrapper.program,locations[\"+r+\"])}\");return n(t,e,o)}function u(t,e,r){switch(r){case\"bool\":case\"int\":case\"sampler2D\":case\"samplerCube\":return\"gl.uniform1i(locations[\"+e+\"],obj\"+t+\")\";case\"float\":return\"gl.uniform1f(locations[\"+e+\"],obj\"+t+\")\";default:var n=r.indexOf(\"vec\");if(!(n>=0&&1>=n&&r.length===4+n)){if(0===r.indexOf(\"mat\")&&4===r.length){var i=r.charCodeAt(r.length-1)-48;if(2>i||i>4)throw new s(\"\",\"Invalid uniform dimension type for matrix \"+name+\": \"+r);return\"gl.uniformMatrix\"+i+\"fv(locations[\"+e+\"],false,obj\"+t+\")\"}throw new s(\"\",\"Unknown uniform data type for \"+name+\": \"+r)}var i=r.charCodeAt(r.length-1)-48;if(2>i||i>4)throw new s(\"\",\"Invalid data type\");switch(r.charAt(0)){case\"b\":case\"i\":return\"gl.uniform\"+i+\"iv(locations[\"+e+\"],obj\"+t+\")\";case\"v\":return\"gl.uniform\"+i+\"fv(locations[\"+e+\"],obj\"+t+\")\";default:throw new s(\"\",\"Unrecognized data type for vector \"+name+\": \"+r)}}}function c(t,e){if(\"object\"!=typeof e)return[[t,e]];var r=[];for(var n in e){var i=e[n],o=t;o+=parseInt(n)+\"\"===n?\"[\"+n+\"]\":\".\"+n,\"object\"==typeof i?r.push.apply(r,c(o,i)):r.push([o,i])}return r}function h(e){for(var n=[\"return function updateProperty(obj){\"],i=c(\"\",e),a=0;a<i.length;++a){var s=i[a],l=s[0],h=s[1];o[h]&&n.push(u(l,h,r[h].type))}n.push(\"return obj}\");var f=new Function(\"gl\",\"locations\",n.join(\"\\n\"));\nreturn f(t,o)}function f(t){switch(t){case\"bool\":return!1;case\"int\":case\"sampler2D\":case\"samplerCube\":return 0;case\"float\":return 0;default:var e=t.indexOf(\"vec\");if(e>=0&&1>=e&&t.length===4+e){var r=t.charCodeAt(t.length-1)-48;if(2>r||r>4)throw new s(\"\",\"Invalid data type\");return\"b\"===t.charAt(0)?i(r,!1):i(r,0)}if(0===t.indexOf(\"mat\")&&4===t.length){var r=t.charCodeAt(t.length-1)-48;if(2>r||r>4)throw new s(\"\",\"Invalid uniform dimension type for matrix \"+name+\": \"+t);return i(r*r,0)}throw new s(\"\",\"Unknown uniform data type for \"+name+\": \"+t)}}function d(t,e,i){if(\"object\"==typeof i){var a=p(i);Object.defineProperty(t,e,{get:n(a),set:h(i),enumerable:!0,configurable:!1})}else o[i]?Object.defineProperty(t,e,{get:l(i),set:h(i),enumerable:!0,configurable:!1}):t[e]=f(r[i].type)}function p(t){var e;if(Array.isArray(t)){e=new Array(t.length);for(var r=0;r<t.length;++r)d(e,r,t[r])}else{e={};for(var n in t)d(e,n,t[n])}return e}var v=a(r,!0);return{get:n(p(v)),set:h(v),enumerable:!0,configurable:!0}}var a=t(\"./reflect\"),s=t(\"./GLError\");e.exports=o},{\"./GLError\":204,\"./reflect\":207}],207:[function(t,e,r){\"use strict\";function n(t,e){for(var r={},n=0;n<t.length;++n)for(var i=t[n].name,o=i.split(\".\"),a=r,s=0;s<o.length;++s){var l=o[s].split(\"[\");if(l.length>1){l[0]in a||(a[l[0]]=[]),a=a[l[0]];for(var u=1;u<l.length;++u){var c=parseInt(l[u]);u<l.length-1||s<o.length-1?(c in a||(u<l.length-1?a[c]=[]:a[c]={}),a=a[c]):e?a[c]=n:a[c]=t[n].type}}else s<o.length-1?(l[0]in a||(a[l[0]]={}),a=a[l[0]]):e?a[l[0]]=n:a[l[0]]=t[n].type}return r}e.exports=n},{}],208:[function(t,e,r){\"use strict\";function n(t,e){if(!s){var r=Object.keys(a);s={};for(var n=0;n<r.length;++n){var i=r[n];s[t[i]]=a[i]}}return s[e]}function i(t,e){for(var r=t.getProgramParameter(e,t.ACTIVE_UNIFORMS),i=[],o=0;r>o;++o){var a=t.getActiveUniform(e,o);if(a){var s=n(t,a.type);if(a.size>1)for(var l=0;l<a.size;++l)i.push({name:a.name.replace(\"[0]\",\"[\"+l+\"]\"),type:s});else i.push({name:a.name,type:s})}}return i}function o(t,e){for(var r=t.getProgramParameter(e,t.ACTIVE_ATTRIBUTES),i=[],o=0;r>o;++o){var a=t.getActiveAttrib(e,o);a&&i.push({name:a.name,type:n(t,a.type)})}return i}r.uniforms=i,r.attributes=o;var a={FLOAT:\"float\",FLOAT_VEC2:\"vec2\",FLOAT_VEC3:\"vec3\",FLOAT_VEC4:\"vec4\",INT:\"int\",INT_VEC2:\"ivec2\",INT_VEC3:\"ivec3\",INT_VEC4:\"ivec4\",BOOL:\"bool\",BOOL_VEC2:\"bvec2\",BOOL_VEC3:\"bvec3\",BOOL_VEC4:\"bvec4\",FLOAT_MAT2:\"mat2\",FLOAT_MAT3:\"mat3\",FLOAT_MAT4:\"mat4\",SAMPLER_2D:\"sampler2D\",SAMPLER_CUBE:\"samplerCube\"},s=null},{}],209:[function(t,e,r){\"use strict\";function n(t,e,r,n,i,o,a){this.id=t,this.src=e,this.type=r,this.shader=n,this.count=o,this.programs=[],this.cache=a}function i(t){this.gl=t,this.shaders=[{},{}],this.programs={}}function o(t,e,r){var n=t.createShader(e);if(t.shaderSource(n,r),t.compileShader(n),!t.getShaderParameter(n,t.COMPILE_STATUS)){var i=t.getShaderInfoLog(n);try{var o=h(i,r,e)}catch(a){throw console.warn(\"Failed to format compiler error: \"+a),new c(i,\"Error compiling shader:\\n\"+i)}throw new c(i,o.short,o.long)}return n}function a(t,e,r,n,i){var o=t.createProgram();t.attachShader(o,e),t.attachShader(o,r);for(var a=0;a<n.length;++a)t.bindAttribLocation(o,i[a],n[a]);if(t.linkProgram(o),!t.getProgramParameter(o,t.LINK_STATUS)){var s=t.getProgramInfoLog(o);throw new c(s,\"Error linking program: \"+s)}return o}function s(t){var e=d.get(t);return e||(e=new i(t),d.set(t,e)),e}function l(t,e,r){return s(t).getShaderReference(e,r)}function u(t,e,r,n,i){return s(t).getProgram(e,r,n,i)}r.shader=l,r.program=u;var c=t(\"./GLError\"),h=t(\"gl-format-compiler-error\"),f=\"undefined\"==typeof WeakMap?t(\"weakmap-shim\"):WeakMap,d=new f,p=0;n.prototype.dispose=function(){if(0===--this.count){for(var t=this.cache,e=t.gl,r=this.programs,n=0,i=r.length;i>n;++n){var o=t.programs[r[n]];o&&(delete t.programs[n],e.deleteProgram(o))}e.deleteShader(this.shader),delete t.shaders[this.type===e.FRAGMENT_SHADER|0][this.src]}};var v=i.prototype;v.getShaderReference=function(t,e){var r=this.gl,i=this.shaders[t===r.FRAGMENT_SHADER|0],a=i[e];if(a&&r.isShader(a.shader))a.count+=1;else{var s=o(r,t,e);a=i[e]=new n(p++,e,t,s,[],1,this)}return a},v.getProgram=function(t,e,r,n){var i=[t.id,e.id,r.join(\":\"),n.join(\":\")].join(\"@\"),o=this.programs[i];return o&&this.gl.isProgram(o)||(this.programs[i]=o=a(this.gl,t.shader,e.shader,r,n),t.programs.push(i),e.programs.push(i)),o}},{\"./GLError\":204,\"gl-format-compiler-error\":210,\"weakmap-shim\":220}],210:[function(t,e,r){function n(t,e,r){\"use strict\";var n=a(e)||\"of unknown name (see npm glsl-shader-name)\",l=\"unknown type\";void 0!==r&&(l=r===o.FRAGMENT_SHADER?\"fragment\":\"vertex\");for(var u=i(\"Error compiling %s shader %s:\\n\",l,n),c=i(\"%s%s\",u,t),h=t.split(\"\\n\"),f={},d=0;d<h.length;d++){var p=h[d];if(\"\"!==p){var v=parseInt(p.split(\":\")[2]);if(isNaN(v))throw new Error(i(\"Could not parse error: %s\",p));f[v]=p}}for(var m=s(e).split(\"\\n\"),d=0;d<m.length;d++)if(f[d+3]||f[d+2]||f[d+1]){var g=m[d];if(u+=g+\"\\n\",f[d+1]){var y=f[d+1];y=y.substr(y.split(\":\",3).join(\":\").length+1).trim(),u+=i(\"^^^ %s\\n\\n\",y)}}return{\"long\":u.trim(),\"short\":c.trim()}}var i=t(\"sprintf-js\").sprintf,o=t(\"gl-constants/lookup\"),a=t(\"glsl-shader-name\"),s=t(\"add-line-numbers\");e.exports=n},{\"add-line-numbers\":211,\"gl-constants/lookup\":214,\"glsl-shader-name\":215,\"sprintf-js\":217}],211:[function(t,e,r){function n(t,e,r){e=\"number\"==typeof e?e:1,r=r||\": \";var n=t.split(/\\r?\\n/),o=String(n.length+e-1).length;return n.map(function(t,n){var a=n+e,s=String(a).length,l=i(a,o-s);return l+r+t}).join(\"\\n\")}var i=t(\"pad-left\");e.exports=n},{\"pad-left\":212}],212:[function(t,e,r){\"use strict\";var n=t(\"repeat-string\");e.exports=function(t,e,r){return r=\"undefined\"!=typeof r?r+\"\":\" \",n(r,e)+t}},{\"repeat-string\":434}],213:[function(t,e,r){e.exports={0:\"NONE\",1:\"ONE\",2:\"LINE_LOOP\",3:\"LINE_STRIP\",4:\"TRIANGLES\",5:\"TRIANGLE_STRIP\",6:\"TRIANGLE_FAN\",256:\"DEPTH_BUFFER_BIT\",512:\"NEVER\",513:\"LESS\",514:\"EQUAL\",515:\"LEQUAL\",516:\"GREATER\",517:\"NOTEQUAL\",518:\"GEQUAL\",519:\"ALWAYS\",768:\"SRC_COLOR\",769:\"ONE_MINUS_SRC_COLOR\",770:\"SRC_ALPHA\",771:\"ONE_MINUS_SRC_ALPHA\",772:\"DST_ALPHA\",773:\"ONE_MINUS_DST_ALPHA\",774:\"DST_COLOR\",775:\"ONE_MINUS_DST_COLOR\",776:\"SRC_ALPHA_SATURATE\",1024:\"STENCIL_BUFFER_BIT\",1028:\"FRONT\",1029:\"BACK\",1032:\"FRONT_AND_BACK\",1280:\"INVALID_ENUM\",1281:\"INVALID_VALUE\",1282:\"INVALID_OPERATION\",1285:\"OUT_OF_MEMORY\",1286:\"INVALID_FRAMEBUFFER_OPERATION\",2304:\"CW\",2305:\"CCW\",2849:\"LINE_WIDTH\",2884:\"CULL_FACE\",2885:\"CULL_FACE_MODE\",2886:\"FRONT_FACE\",2928:\"DEPTH_RANGE\",2929:\"DEPTH_TEST\",2930:\"DEPTH_WRITEMASK\",2931:\"DEPTH_CLEAR_VALUE\",2932:\"DEPTH_FUNC\",2960:\"STENCIL_TEST\",2961:\"STENCIL_CLEAR_VALUE\",2962:\"STENCIL_FUNC\",2963:\"STENCIL_VALUE_MASK\",2964:\"STENCIL_FAIL\",2965:\"STENCIL_PASS_DEPTH_FAIL\",2966:\"STENCIL_PASS_DEPTH_PASS\",2967:\"STENCIL_REF\",2968:\"STENCIL_WRITEMASK\",2978:\"VIEWPORT\",3024:\"DITHER\",3042:\"BLEND\",3088:\"SCISSOR_BOX\",3089:\"SCISSOR_TEST\",3106:\"COLOR_CLEAR_VALUE\",3107:\"COLOR_WRITEMASK\",3317:\"UNPACK_ALIGNMENT\",3333:\"PACK_ALIGNMENT\",3379:\"MAX_TEXTURE_SIZE\",3386:\"MAX_VIEWPORT_DIMS\",3408:\"SUBPIXEL_BITS\",3410:\"RED_BITS\",3411:\"GREEN_BITS\",3412:\"BLUE_BITS\",3413:\"ALPHA_BITS\",3414:\"DEPTH_BITS\",3415:\"STENCIL_BITS\",3553:\"TEXTURE_2D\",4352:\"DONT_CARE\",4353:\"FASTEST\",4354:\"NICEST\",5120:\"BYTE\",5121:\"UNSIGNED_BYTE\",5122:\"SHORT\",5123:\"UNSIGNED_SHORT\",5124:\"INT\",5125:\"UNSIGNED_INT\",5126:\"FLOAT\",5386:\"INVERT\",5890:\"TEXTURE\",6401:\"STENCIL_INDEX\",6402:\"DEPTH_COMPONENT\",6406:\"ALPHA\",6407:\"RGB\",6408:\"RGBA\",6409:\"LUMINANCE\",6410:\"LUMINANCE_ALPHA\",7680:\"KEEP\",7681:\"REPLACE\",7682:\"INCR\",7683:\"DECR\",7936:\"VENDOR\",7937:\"RENDERER\",7938:\"VERSION\",9728:\"NEAREST\",9729:\"LINEAR\",9984:\"NEAREST_MIPMAP_NEAREST\",9985:\"LINEAR_MIPMAP_NEAREST\",9986:\"NEAREST_MIPMAP_LINEAR\",9987:\"LINEAR_MIPMAP_LINEAR\",10240:\"TEXTURE_MAG_FILTER\",10241:\"TEXTURE_MIN_FILTER\",10242:\"TEXTURE_WRAP_S\",10243:\"TEXTURE_WRAP_T\",10497:\"REPEAT\",10752:\"POLYGON_OFFSET_UNITS\",16384:\"COLOR_BUFFER_BIT\",32769:\"CONSTANT_COLOR\",32770:\"ONE_MINUS_CONSTANT_COLOR\",32771:\"CONSTANT_ALPHA\",32772:\"ONE_MINUS_CONSTANT_ALPHA\",32773:\"BLEND_COLOR\",32774:\"FUNC_ADD\",32777:\"BLEND_EQUATION_RGB\",32778:\"FUNC_SUBTRACT\",32779:\"FUNC_REVERSE_SUBTRACT\",32819:\"UNSIGNED_SHORT_4_4_4_4\",32820:\"UNSIGNED_SHORT_5_5_5_1\",32823:\"POLYGON_OFFSET_FILL\",32824:\"POLYGON_OFFSET_FACTOR\",32854:\"RGBA4\",32855:\"RGB5_A1\",32873:\"TEXTURE_BINDING_2D\",32926:\"SAMPLE_ALPHA_TO_COVERAGE\",32928:\"SAMPLE_COVERAGE\",32936:\"SAMPLE_BUFFERS\",32937:\"SAMPLES\",32938:\"SAMPLE_COVERAGE_VALUE\",32939:\"SAMPLE_COVERAGE_INVERT\",32968:\"BLEND_DST_RGB\",32969:\"BLEND_SRC_RGB\",32970:\"BLEND_DST_ALPHA\",32971:\"BLEND_SRC_ALPHA\",33071:\"CLAMP_TO_EDGE\",33170:\"GENERATE_MIPMAP_HINT\",33189:\"DEPTH_COMPONENT16\",33306:\"DEPTH_STENCIL_ATTACHMENT\",33635:\"UNSIGNED_SHORT_5_6_5\",33648:\"MIRRORED_REPEAT\",33901:\"ALIASED_POINT_SIZE_RANGE\",33902:\"ALIASED_LINE_WIDTH_RANGE\",33984:\"TEXTURE0\",33985:\"TEXTURE1\",33986:\"TEXTURE2\",33987:\"TEXTURE3\",33988:\"TEXTURE4\",33989:\"TEXTURE5\",33990:\"TEXTURE6\",33991:\"TEXTURE7\",33992:\"TEXTURE8\",33993:\"TEXTURE9\",33994:\"TEXTURE10\",33995:\"TEXTURE11\",33996:\"TEXTURE12\",33997:\"TEXTURE13\",33998:\"TEXTURE14\",33999:\"TEXTURE15\",34e3:\"TEXTURE16\",34001:\"TEXTURE17\",34002:\"TEXTURE18\",34003:\"TEXTURE19\",34004:\"TEXTURE20\",34005:\"TEXTURE21\",34006:\"TEXTURE22\",34007:\"TEXTURE23\",34008:\"TEXTURE24\",34009:\"TEXTURE25\",34010:\"TEXTURE26\",34011:\"TEXTURE27\",34012:\"TEXTURE28\",34013:\"TEXTURE29\",34014:\"TEXTURE30\",34015:\"TEXTURE31\",34016:\"ACTIVE_TEXTURE\",34024:\"MAX_RENDERBUFFER_SIZE\",34041:\"DEPTH_STENCIL\",34055:\"INCR_WRAP\",34056:\"DECR_WRAP\",34067:\"TEXTURE_CUBE_MAP\",34068:\"TEXTURE_BINDING_CUBE_MAP\",34069:\"TEXTURE_CUBE_MAP_POSITIVE_X\",34070:\"TEXTURE_CUBE_MAP_NEGATIVE_X\",34071:\"TEXTURE_CUBE_MAP_POSITIVE_Y\",34072:\"TEXTURE_CUBE_MAP_NEGATIVE_Y\",34073:\"TEXTURE_CUBE_MAP_POSITIVE_Z\",34074:\"TEXTURE_CUBE_MAP_NEGATIVE_Z\",34076:\"MAX_CUBE_MAP_TEXTURE_SIZE\",34338:\"VERTEX_ATTRIB_ARRAY_ENABLED\",34339:\"VERTEX_ATTRIB_ARRAY_SIZE\",34340:\"VERTEX_ATTRIB_ARRAY_STRIDE\",34341:\"VERTEX_ATTRIB_ARRAY_TYPE\",34342:\"CURRENT_VERTEX_ATTRIB\",34373:\"VERTEX_ATTRIB_ARRAY_POINTER\",34466:\"NUM_COMPRESSED_TEXTURE_FORMATS\",34467:\"COMPRESSED_TEXTURE_FORMATS\",34660:\"BUFFER_SIZE\",34661:\"BUFFER_USAGE\",34816:\"STENCIL_BACK_FUNC\",34817:\"STENCIL_BACK_FAIL\",34818:\"STENCIL_BACK_PASS_DEPTH_FAIL\",34819:\"STENCIL_BACK_PASS_DEPTH_PASS\",34877:\"BLEND_EQUATION_ALPHA\",34921:\"MAX_VERTEX_ATTRIBS\",34922:\"VERTEX_ATTRIB_ARRAY_NORMALIZED\",34930:\"MAX_TEXTURE_IMAGE_UNITS\",34962:\"ARRAY_BUFFER\",34963:\"ELEMENT_ARRAY_BUFFER\",34964:\"ARRAY_BUFFER_BINDING\",34965:\"ELEMENT_ARRAY_BUFFER_BINDING\",34975:\"VERTEX_ATTRIB_ARRAY_BUFFER_BINDING\",35040:\"STREAM_DRAW\",35044:\"STATIC_DRAW\",35048:\"DYNAMIC_DRAW\",35632:\"FRAGMENT_SHADER\",35633:\"VERTEX_SHADER\",35660:\"MAX_VERTEX_TEXTURE_IMAGE_UNITS\",35661:\"MAX_COMBINED_TEXTURE_IMAGE_UNITS\",35663:\"SHADER_TYPE\",35664:\"FLOAT_VEC2\",35665:\"FLOAT_VEC3\",35666:\"FLOAT_VEC4\",35667:\"INT_VEC2\",35668:\"INT_VEC3\",35669:\"INT_VEC4\",35670:\"BOOL\",35671:\"BOOL_VEC2\",35672:\"BOOL_VEC3\",35673:\"BOOL_VEC4\",35674:\"FLOAT_MAT2\",35675:\"FLOAT_MAT3\",35676:\"FLOAT_MAT4\",35678:\"SAMPLER_2D\",35680:\"SAMPLER_CUBE\",35712:\"DELETE_STATUS\",35713:\"COMPILE_STATUS\",35714:\"LINK_STATUS\",35715:\"VALIDATE_STATUS\",35716:\"INFO_LOG_LENGTH\",35717:\"ATTACHED_SHADERS\",35718:\"ACTIVE_UNIFORMS\",35719:\"ACTIVE_UNIFORM_MAX_LENGTH\",35720:\"SHADER_SOURCE_LENGTH\",35721:\"ACTIVE_ATTRIBUTES\",35722:\"ACTIVE_ATTRIBUTE_MAX_LENGTH\",35724:\"SHADING_LANGUAGE_VERSION\",35725:\"CURRENT_PROGRAM\",36003:\"STENCIL_BACK_REF\",36004:\"STENCIL_BACK_VALUE_MASK\",36005:\"STENCIL_BACK_WRITEMASK\",36006:\"FRAMEBUFFER_BINDING\",36007:\"RENDERBUFFER_BINDING\",36048:\"FRAMEBUFFER_ATTACHMENT_OBJECT_TYPE\",36049:\"FRAMEBUFFER_ATTACHMENT_OBJECT_NAME\",36050:\"FRAMEBUFFER_ATTACHMENT_TEXTURE_LEVEL\",36051:\"FRAMEBUFFER_ATTACHMENT_TEXTURE_CUBE_MAP_FACE\",36053:\"FRAMEBUFFER_COMPLETE\",36054:\"FRAMEBUFFER_INCOMPLETE_ATTACHMENT\",36055:\"FRAMEBUFFER_INCOMPLETE_MISSING_ATTACHMENT\",36057:\"FRAMEBUFFER_INCOMPLETE_DIMENSIONS\",36061:\"FRAMEBUFFER_UNSUPPORTED\",36064:\"COLOR_ATTACHMENT0\",36096:\"DEPTH_ATTACHMENT\",36128:\"STENCIL_ATTACHMENT\",36160:\"FRAMEBUFFER\",36161:\"RENDERBUFFER\",36162:\"RENDERBUFFER_WIDTH\",36163:\"RENDERBUFFER_HEIGHT\",36164:\"RENDERBUFFER_INTERNAL_FORMAT\",36168:\"STENCIL_INDEX8\",36176:\"RENDERBUFFER_RED_SIZE\",36177:\"RENDERBUFFER_GREEN_SIZE\",36178:\"RENDERBUFFER_BLUE_SIZE\",36179:\"RENDERBUFFER_ALPHA_SIZE\",36180:\"RENDERBUFFER_DEPTH_SIZE\",36181:\"RENDERBUFFER_STENCIL_SIZE\",36194:\"RGB565\",36336:\"LOW_FLOAT\",36337:\"MEDIUM_FLOAT\",36338:\"HIGH_FLOAT\",36339:\"LOW_INT\",36340:\"MEDIUM_INT\",36341:\"HIGH_INT\",36346:\"SHADER_COMPILER\",36347:\"MAX_VERTEX_UNIFORM_VECTORS\",36348:\"MAX_VARYING_VECTORS\",36349:\"MAX_FRAGMENT_UNIFORM_VECTORS\",37440:\"UNPACK_FLIP_Y_WEBGL\",37441:\"UNPACK_PREMULTIPLY_ALPHA_WEBGL\",37442:\"CONTEXT_LOST_WEBGL\",37443:\"UNPACK_COLORSPACE_CONVERSION_WEBGL\",37444:\"BROWSER_DEFAULT_WEBGL\"}},{}],214:[function(t,e,r){var n=t(\"./1.0/numbers\");e.exports=function(t){return n[t]}},{\"./1.0/numbers\":213}],215:[function(t,e,r){function n(t){for(var e=Array.isArray(t)?t:i(t),r=0;r<e.length;r++){var n=e[r];if(\"preprocessor\"===n.type){var a=n.data.match(/\\#define\\s+SHADER_NAME(_B64)?\\s+(.+)$/);if(a&&a[2]){var s=a[1],l=a[2];return(s?o(l):l).trim()}}}}var i=t(\"glsl-tokenizer\"),o=t(\"atob-lite\");e.exports=n},{\"atob-lite\":216,\"glsl-tokenizer\":240}],216:[function(t,e,r){e.exports=function(t){return atob(t)}},{}],217:[function(e,r,n){!function(e){function r(){var t=arguments[0],e=r.cache;return e[t]&&e.hasOwnProperty(t)||(e[t]=r.parse(t)),r.format.call(null,e[t],arguments)}function i(t){return Object.prototype.toString.call(t).slice(8,-1).toLowerCase()}function o(t,e){return Array(e+1).join(t)}var a={not_string:/[^s]/,number:/[diefg]/,json:/[j]/,not_json:/[^j]/,text:/^[^\\x25]+/,modulo:/^\\x25{2}/,placeholder:/^\\x25(?:([1-9]\\d*)\\$|\\(([^\\)]+)\\))?(\\+)?(0|'[^$])?(-)?(\\d+)?(?:\\.(\\d+))?([b-gijosuxX])/,key:/^([a-z_][a-z_\\d]*)/i,key_access:/^\\.([a-z_][a-z_\\d]*)/i,index_access:/^\\[(\\d+)\\]/,sign:/^[\\+\\-]/};r.format=function(t,e){var n,s,l,u,c,h,f,d=1,p=t.length,v=\"\",m=[],g=!0,y=\"\";for(s=0;p>s;s++)if(v=i(t[s]),\"string\"===v)m[m.length]=t[s];else if(\"array\"===v){if(u=t[s],u[2])for(n=e[d],l=0;l<u[2].length;l++){if(!n.hasOwnProperty(u[2][l]))throw new Error(r(\"[sprintf] property '%s' does not exist\",u[2][l]));n=n[u[2][l]]}else n=u[1]?e[u[1]]:e[d++];if(\"function\"==i(n)&&(n=n()),a.not_string.test(u[8])&&a.not_json.test(u[8])&&\"number\"!=i(n)&&isNaN(n))throw new TypeError(r(\"[sprintf] expecting number but found %s\",i(n)));switch(a.number.test(u[8])&&(g=n>=0),u[8]){case\"b\":n=n.toString(2);break;case\"c\":n=String.fromCharCode(n);break;case\"d\":case\"i\":n=parseInt(n,10);break;case\"j\":n=JSON.stringify(n,null,u[6]?parseInt(u[6]):0);break;case\"e\":n=u[7]?n.toExponential(u[7]):n.toExponential();break;case\"f\":n=u[7]?parseFloat(n).toFixed(u[7]):parseFloat(n);break;case\"g\":n=u[7]?parseFloat(n).toPrecision(u[7]):parseFloat(n);break;case\"o\":n=n.toString(8);break;case\"s\":n=(n=String(n))&&u[7]?n.substring(0,u[7]):n;break;case\"u\":n>>>=0;break;case\"x\":n=n.toString(16);break;case\"X\":n=n.toString(16).toUpperCase()}a.json.test(u[8])?m[m.length]=n:(!a.number.test(u[8])||g&&!u[3]?y=\"\":(y=g?\"+\":\"-\",n=n.toString().replace(a.sign,\"\")),h=u[4]?\"0\"===u[4]?\"0\":u[4].charAt(1):\" \",f=u[6]-(y+n).length,c=u[6]&&f>0?o(h,f):\"\",m[m.length]=u[5]?y+n+c:\"0\"===h?y+c+n:c+y+n)}return m.join(\"\")},r.cache={},r.parse=function(t){for(var e=t,r=[],n=[],i=0;e;){if(null!==(r=a.text.exec(e)))n[n.length]=r[0];else if(null!==(r=a.modulo.exec(e)))n[n.length]=\"%\";else{if(null===(r=a.placeholder.exec(e)))throw new SyntaxError(\"[sprintf] unexpected placeholder\");if(r[2]){i|=1;var o=[],s=r[2],l=[];if(null===(l=a.key.exec(s)))throw new SyntaxError(\"[sprintf] failed to parse named argument key\");for(o[o.length]=l[1];\"\"!==(s=s.substring(l[0].length));)if(null!==(l=a.key_access.exec(s)))o[o.length]=l[1];else{if(null===(l=a.index_access.exec(s)))throw new SyntaxError(\"[sprintf] failed to parse named argument key\");o[o.length]=l[1]}r[2]=o}else i|=2;if(3===i)throw new Error(\"[sprintf] mixing positional and named placeholders is not (yet) supported\");n[n.length]=r}e=e.substring(r[0].length)}return n};var s=function(t,e,n){return n=(e||[]).slice(0),n.splice(0,0,t),r.apply(null,n)};\"undefined\"!=typeof n?(n.sprintf=r,n.vsprintf=s):(e.sprintf=r,e.vsprintf=s,\"function\"==typeof t&&t.amd&&t(function(){return{sprintf:r,vsprintf:s}}))}(\"undefined\"==typeof window?this:window)},{}],218:[function(t,e,r){function n(){var t={};return function(e){if((\"object\"!=typeof e||null===e)&&\"function\"!=typeof e)throw new Error(\"Weakmap-shim: Key must be object\");var r=e.valueOf(t);return r&&r.identity===t?r:i(e,t)}}var i=t(\"./hidden-store.js\");e.exports=n},{\"./hidden-store.js\":219}],219:[function(t,e,r){function n(t,e){var r={identity:e},n=t.valueOf;return Object.defineProperty(t,\"valueOf\",{value:function(t){return t!==e?n.apply(this,arguments):r},writable:!0}),r}e.exports=n},{}],220:[function(t,e,r){function n(){var t=i();return{get:function(e,r){var n=t(e);return n.hasOwnProperty(\"value\")?n.value:r},set:function(e,r){t(e).value=r},has:function(e){return\"value\"in t(e)},\"delete\":function(e){return delete t(e).value}}}var i=t(\"./create-store.js\");e.exports=n},{\"./create-store.js\":218}],221:[function(t,e,r){\"use strict\";function n(t){this.plot=t,this.enable=[!0,!0,!1,!1],this.width=[1,1,1,1],this.color=[[0,0,0,1],[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.center=[1/0,1/0]}function i(t,e){var r=new n(t);return r.update(e),t.addOverlay(r),r}e.exports=i;var o=n.prototype;o.update=function(t){t=t||{},this.enable=(t.enable||[!0,!0,!1,!1]).slice(),this.width=(t.width||[1,1,1,1]).slice(),this.color=(t.color||[[0,0,0,1],[0,0,0,1],[0,0,0,1],[0,0,0,1]]).map(function(t){return t.slice()}),this.center=(t.center||[1/0,1/0]).slice(),this.plot.setOverlayDirty()},o.draw=function(){var t=this.enable,e=this.width,r=this.color,n=this.center,i=this.plot,o=i.line,a=i.dataBox,s=i.viewBox;if(o.bind(),a[0]<=n[0]&&n[0]<=a[2]&&a[1]<=n[1]&&n[1]<=a[3]){var l=s[0]+(n[0]-a[0])/(a[2]-a[0])*(s[2]-s[0]),u=s[1]+(n[1]-a[1])/(a[3]-a[1])*(s[3]-s[1]);t[0]&&o.drawLine(l,u,s[0],u,e[0],r[0]),t[1]&&o.drawLine(l,u,l,s[1],e[1],r[1]),t[2]&&o.drawLine(l,u,s[2],u,e[2],r[2]),t[3]&&o.drawLine(l,u,l,s[3],e[3],r[3])}},o.dispose=function(){this.plot.removeOverlay(this)}},{}],222:[function(t,e,r){var n=t(\"gl-shader\"),i=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec4 uv;\\nattribute vec3 f;\\nattribute vec3 normal;\\n\\nuniform mat4 model, view, projection, inverseModel;\\nuniform vec3 lightPosition, eyePosition;\\n\\nvarying float value, kill;\\nvarying vec3 worldCoordinate;\\nvarying vec2 planeCoordinate;\\nvarying vec3 lightDirection, eyeDirection, surfaceNormal;\\n\\nvoid main() {\\n  worldCoordinate = vec3(uv.zw, f.x);\\n  vec4 worldPosition = model * vec4(worldCoordinate, 1.0);\\n  vec4 clipPosition = projection * view * worldPosition;\\n  gl_Position = clipPosition;\\n  kill = f.y;\\n  value = f.z;\\n  planeCoordinate = uv.xy;\\n\\n  //Lighting geometry parameters\\n  vec4 cameraCoordinate = view * worldPosition;\\n  cameraCoordinate.xyz /= cameraCoordinate.w;\\n  lightDirection = lightPosition - cameraCoordinate.xyz;\\n  eyeDirection   = eyePosition - cameraCoordinate.xyz;\\n  surfaceNormal  = normalize((vec4(normal,0) * inverseModel).xyz);\\n}\\n\",o=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nfloat beckmannDistribution_2_0(float x, float roughness) {\\n  float NdotH = max(x, 0.0001);\\n  float cos2Alpha = NdotH * NdotH;\\n  float tan2Alpha = (cos2Alpha - 1.0) / cos2Alpha;\\n  float roughness2 = roughness * roughness;\\n  float denom = 3.141592653589793 * roughness2 * cos2Alpha * cos2Alpha;\\n  return exp(tan2Alpha / roughness2) / denom;\\n}\\n\\n\\n\\nfloat beckmannSpecular_1_1(\\n  vec3 lightDirection,\\n  vec3 viewDirection,\\n  vec3 surfaceNormal,\\n  float roughness) {\\n  return beckmannDistribution_2_0(dot(surfaceNormal, normalize(lightDirection + viewDirection)), roughness);\\n}\\n\\n\\n\\nuniform vec3 lowerBound, upperBound;\\nuniform float contourTint;\\nuniform vec4 contourColor;\\nuniform sampler2D colormap;\\nuniform vec3 clipBounds[2];\\nuniform float roughness, fresnel, kambient, kdiffuse, kspecular, opacity;\\n\\nvarying float value, kill;\\nvarying vec3 worldCoordinate;\\nvarying vec3 lightDirection, eyeDirection, surfaceNormal;\\n\\nvoid main() {\\n  if(kill > 0.0 ||\\n    any(lessThan(worldCoordinate, clipBounds[0])) || any(greaterThan(worldCoordinate, clipBounds[1]))) {\\n    discard;\\n  }\\n\\n  vec3 N = normalize(surfaceNormal);\\n  vec3 V = normalize(eyeDirection);\\n  vec3 L = normalize(lightDirection);\\n\\n  if(gl_FrontFacing) {\\n    N = -N;\\n  }\\n\\n  float specular = beckmannSpecular_1_1(L, V, N, roughness);\\n  float diffuse  = min(kambient + kdiffuse * max(dot(N, L), 0.0), 1.0);\\n\\n  vec4 surfaceColor = texture2D(colormap, vec2(value, value));\\n  vec4 litColor = surfaceColor.a * vec4(diffuse * surfaceColor.rgb + kspecular * vec3(1,1,1) * specular,  1.0);\\n\\n  gl_FragColor = mix(litColor, contourColor, contourTint) * opacity;\\n}\\n\",a=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nattribute vec4 uv;\\nattribute float f;\\n\\nuniform mat3 permutation;\\nuniform mat4 model, view, projection;\\nuniform float height, zOffset;\\n\\nvarying float value, kill;\\nvarying vec3 worldCoordinate;\\nvarying vec2 planeCoordinate;\\nvarying vec3 lightDirection, eyeDirection, surfaceNormal;\\n\\nvoid main() {\\n  vec3 dataCoordinate = permutation * vec3(uv.xy, height);\\n  vec4 worldPosition = model * vec4(dataCoordinate, 1.0);\\n\\n  vec4 clipPosition = projection * view * worldPosition;\\n  clipPosition.z = clipPosition.z + zOffset;\\n\\n  gl_Position = clipPosition;\\n  value = f;\\n  kill = -1.0;\\n  worldCoordinate = dataCoordinate;\\n  planeCoordinate = uv.zw;\\n\\n  //Don't do lighting for contours\\n  surfaceNormal   = vec3(1,0,0);\\n  eyeDirection    = vec3(0,1,0);\\n  lightDirection  = vec3(0,0,1);\\n}\\n\",s=\"precision mediump float;\\n#define GLSLIFY 1\\n\\nuniform vec2 shape;\\nuniform vec3 clipBounds[2];\\nuniform float pickId;\\n\\nvarying float value, kill;\\nvarying vec3 worldCoordinate;\\nvarying vec2 planeCoordinate;\\nvarying vec3 surfaceNormal;\\n\\nvec2 splitFloat(float v) {\\n  float vh = 255.0 * v;\\n  float upper = floor(vh);\\n  float lower = fract(vh);\\n  return vec2(upper / 255.0, floor(lower * 16.0) / 16.0);\\n}\\n\\nvoid main() {\\n  if(kill > 0.0 ||\\n    any(lessThan(worldCoordinate, clipBounds[0])) || any(greaterThan(worldCoordinate, clipBounds[1]))) {\\n    discard;\\n  }\\n  vec2 ux = splitFloat(planeCoordinate.x / shape.x);\\n  vec2 uy = splitFloat(planeCoordinate.y / shape.y);\\n  gl_FragColor = vec4(pickId, ux.x, uy.x, ux.y + (uy.y/16.0));\\n}\\n\";r.createShader=function(t){var e=n(t,i,o,null,[{name:\"uv\",type:\"vec4\"},{name:\"f\",type:\"vec3\"},{name:\"normal\",type:\"vec3\"}]);return e.attributes.uv.location=0,e.attributes.f.location=1,e.attributes.normal.location=2,e},r.createPickShader=function(t){var e=n(t,i,s,null,[{name:\"uv\",type:\"vec4\"},{name:\"f\",type:\"vec3\"},{name:\"normal\",type:\"vec3\"}]);return e.attributes.uv.location=0,e.attributes.f.location=1,e.attributes.normal.location=2,e},r.createContourShader=function(t){var e=n(t,a,o,null,[{name:\"uv\",type:\"vec4\"},{name:\"f\",type:\"float\"}]);return e.attributes.uv.location=0,e.attributes.f.location=1,e},r.createPickContourShader=function(t){var e=n(t,a,s,null,[{name:\"uv\",type:\"vec4\"},{name:\"f\",type:\"float\"}]);return e.attributes.uv.location=0,e.attributes.f.location=1,e}},{\"gl-shader\":203}],223:[function(t,e,r){arguments[4][22][0].apply(r,arguments)},{dup:22}],224:[function(t,e,r){\"use strict\";function n(t){if(t in l)return l[t];for(var e=[],r=0;t>r;++r)e.push(\"out\",r,\"s=0.5*(inp\",r,\"l-inp\",r,\"r);\");for(var n=[\"array\"],i=[\"junk\"],r=0;t>r;++r){n.push(\"array\"),i.push(\"out\"+r+\"s\");var o=a(t);o[r]=-1,n.push({array:0,offset:o.slice()}),o[r]=1,n.push({array:0,offset:o.slice()}),i.push(\"inp\"+r+\"l\",\"inp\"+r+\"r\")}return l[t]=s({args:n,pre:c,post:c,body:{body:e.join(\"\"),args:i.map(function(t){return{name:t,lvalue:0===t.indexOf(\"out\"),rvalue:0===t.indexOf(\"inp\"),count:\"junk\"!==t|0}}),thisVars:[],localVars:[]},funcName:\"fdTemplate\"+t})}function i(t){function e(e){for(var r=o-e.length,n=[],i=[],s=[],l=0;o>l;++l)e.indexOf(l+1)>=0?s.push(\"0\"):e.indexOf(-(l+1))>=0?s.push(\"s[\"+l+\"]-1\"):(s.push(\"-1\"),n.push(\"1\"),i.push(\"s[\"+l+\"]-2\"));var u=\".lo(\"+n.join()+\").hi(\"+i.join()+\")\";if(0===n.length&&(u=\"\"),r>0){a.push(\"if(1\");for(var l=0;o>l;++l)e.indexOf(l+1)>=0||e.indexOf(-(l+1))>=0||a.push(\"&&s[\",l,\"]>2\");a.push(\"){grad\",r,\"(src.pick(\",s.join(),\")\",u);for(var l=0;o>l;++l)e.indexOf(l+1)>=0||e.indexOf(-(l+1))>=0||a.push(\",dst.pick(\",s.join(),\",\",l,\")\",u);a.push(\");\")}for(var l=0;l<e.length;++l){var c=Math.abs(e[l])-1,h=\"dst.pick(\"+s.join()+\",\"+c+\")\"+u;switch(t[c]){case\"clamp\":var f=s.slice(),d=s.slice();e[l]<0?f[c]=\"s[\"+c+\"]-2\":d[c]=\"1\",0===r?a.push(\"if(s[\",c,\"]>1){dst.set(\",s.join(),\",\",c,\",0.5*(src.get(\",f.join(),\")-src.get(\",d.join(),\")))}else{dst.set(\",s.join(),\",\",c,\",0)};\"):a.push(\"if(s[\",c,\"]>1){diff(\",h,\",src.pick(\",f.join(),\")\",u,\",src.pick(\",d.join(),\")\",u,\");}else{zero(\",h,\");};\");break;case\"mirror\":0===r?a.push(\"dst.set(\",s.join(),\",\",c,\",0);\"):a.push(\"zero(\",h,\");\");break;case\"wrap\":var p=s.slice(),v=s.slice();e[l]<0?(p[c]=\"s[\"+c+\"]-2\",v[c]=\"0\"):(p[c]=\"s[\"+c+\"]-1\",v[c]=\"1\"),0===r?a.push(\"if(s[\",c,\"]>2){dst.set(\",s.join(),\",\",c,\",0.5*(src.get(\",p.join(),\")-src.get(\",v.join(),\")))}else{dst.set(\",s.join(),\",\",c,\",0)};\"):a.push(\"if(s[\",c,\"]>2){diff(\",h,\",src.pick(\",p.join(),\")\",u,\",src.pick(\",v.join(),\")\",u,\");}else{zero(\",h,\");};\");break;default:throw new Error(\"ndarray-gradient: Invalid boundary condition\")}}r>0&&a.push(\"};\")}var r=t.join(),i=u[r];if(i)return i;for(var o=t.length,a=[\"function gradient(dst,src){var s=src.shape.slice();\"],s=0;1<<o>s;++s){for(var c=[],d=0;o>d;++d)s&1<<d&&c.push(d+1);for(var p=0;p<1<<c.length;++p){for(var v=c.slice(),d=0;d<c.length;++d)p&1<<d&&(v[d]=-v[d]);e(v)}}a.push(\"return dst;};return gradient\");for(var m=[\"diff\",\"zero\"],g=[h,f],s=1;o>=s;++s)m.push(\"grad\"+s),g.push(n(s));m.push(a.join(\"\"));var y=Function.apply(void 0,m),i=y.apply(void 0,g);return l[r]=i,i}function o(t,e,r){if(Array.isArray(r)){if(r.length!==e.dimension)throw new Error(\"ndarray-gradient: invalid boundary conditions\")}else r=\"string\"==typeof r?a(e.dimension,r):a(e.dimension,\"clamp\");if(t.dimension!==e.dimension+1)throw new Error(\"ndarray-gradient: output dimension must be +1 input dimension\");if(t.shape[e.dimension]!==e.dimension)throw new Error(\"ndarray-gradient: output shape must match input shape\");for(var n=0;n<e.dimension;++n)if(t.shape[n]!==e.shape[n])throw new Error(\"ndarray-gradient: shape mismatch\");if(0===e.size)return t;if(e.dimension<=0)return t.set(0),t;var o=i(r);return o(t,e)}e.exports=o;var a=t(\"dup\"),s=t(\"cwise-compiler\"),l={},u={},c={body:\"\",args:[],thisVars:[],localVars:[]},h=s({args:[\"array\",\"array\",\"array\"],pre:c,post:c,body:{args:[{name:\"out\",lvalue:!0,rvalue:!1,count:1},{name:\"left\",lvalue:!1,rvalue:!0,count:1},{name:\"right\",lvalue:!1,rvalue:!0,count:1}],body:\"out=0.5*(left-right)\",thisVars:[],localVars:[]},funcName:\"cdiff\"}),f=s({args:[\"array\"],pre:c,post:c,body:{args:[{name:\"out\",lvalue:!0,rvalue:!1,count:1}],body:\"out=0\",thisVars:[],localVars:[]},funcName:\"zero\"})},{\"cwise-compiler\":115,dup:121}],225:[function(t,e,r){\"use strict\";var n=t(\"ndarray\"),i=t(\"./doConvert.js\");e.exports=function(t,e){for(var r=[],o=t,a=1;o instanceof Array;)r.push(o.length),a*=o.length,o=o[0];return 0===r.length?n():(e||(e=n(new Float64Array(a),r)),i(e,t),e)}},{\"./doConvert.js\":226,ndarray:433}],226:[function(t,e,r){e.exports=t(\"cwise-compiler\")({args:[\"array\",\"scalar\",\"index\"],pre:{body:\"{}\",args:[],thisVars:[],localVars:[]},body:{body:\"{\\nvar _inline_1_v=_inline_1_arg1_,_inline_1_i\\nfor(_inline_1_i=0;_inline_1_i<_inline_1_arg2_.length-1;++_inline_1_i) {\\n_inline_1_v=_inline_1_v[_inline_1_arg2_[_inline_1_i]]\\n}\\n_inline_1_arg0_=_inline_1_v[_inline_1_arg2_[_inline_1_arg2_.length-1]]\\n}\",args:[{name:\"_inline_1_arg0_\",lvalue:!0,rvalue:!1,count:1},{name:\"_inline_1_arg1_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_1_arg2_\",lvalue:!1,rvalue:!0,count:4}],thisVars:[],localVars:[\"_inline_1_i\",\"_inline_1_v\"]},post:{body:\"{}\",args:[],thisVars:[],localVars:[]},funcName:\"convert\",blockSize:64})},{\"cwise-compiler\":115}],227:[function(t,e,r){\"use strict\";function n(t,e,r,n,i){this.position=t,this.index=e,this.uv=r,this.level=n,this.dataCoordinate=i}function i(t){var e=x([y({colormap:t,nshades:O,format:\"rgba\"}).map(function(t){return[t[0],t[1],t[2],255*t[3]]})]);return b.divseq(e,255),e}function o(t,e,r,i,o,a,s,l,u,c,h,f,d,p){this.gl=t,this.shape=e,this.bounds=r,this.intensityBounds=[],this._shader=i,this._pickShader=o,this._coordinateBuffer=a,this._vao=s,this._colorMap=l,this._contourShader=u,this._contourPickShader=c,this._contourBuffer=h,this._contourVAO=f,this._contourOffsets=[[],[],[]],this._contourCounts=[[],[],[]],this._vertexCount=0,this._pickResult=new n([0,0,0],[0,0],[0,0],[0,0,0],[0,0,0]),this._dynamicBuffer=d,this._dynamicVAO=p,this._dynamicOffsets=[0,0,0],this._dynamicCounts=[0,0,0],this.contourWidth=[1,1,1],this.contourLevels=[[1],[1],[1]],this.contourTint=[0,0,0],this.contourColor=[[.5,.5,.5,1],[.5,.5,.5,1],[.5,.5,.5,1]],this.showContour=!0,this.showSurface=!0,this.enableHighlight=[!0,!0,!0],this.highlightColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.highlightTint=[1,1,1],this.highlightLevel=[-1,-1,-1],this.enableDynamic=[!0,!0,!0],this.dynamicLevel=[NaN,NaN,NaN],this.dynamicColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.dynamicTint=[1,1,1],this.dynamicWidth=[1,1,1],this.axesBounds=[[1/0,1/0,1/0],[-(1/0),-(1/0),-(1/0)]],this.surfaceProject=[!1,!1,!1],this.contourProject=[[!1,!1,!1],[!1,!1,!1],[!1,!1,!1]],this.colorBounds=[!1,!1],this._field=[_(g.mallocFloat(1024),[0,0]),_(g.mallocFloat(1024),[0,0]),_(g.mallocFloat(1024),[0,0])],this.pickId=1,this.clipBounds=[[-(1/0),-(1/0),-(1/0)],[1/0,1/0,1/0]],this.snapToData=!1,this.opacity=1,this.lightPosition=[10,1e4,0],this.ambientLight=.8,this.diffuseLight=.8,this.specularLight=2,this.roughness=.5,this.fresnel=1.5,this.dirty=!0}function a(t,e){var r,n,i,o=e.axes&&e.axes.lastCubeProps.axis||j,a=e.showSurface,s=e.showContour;for(r=0;3>r;++r)for(a=a||e.surfaceProject[r],n=0;3>n;++n)s=s||e.contourProject[r][n];for(r=0;3>r;++r){var l=N.projections[r];for(n=0;16>n;++n)l[n]=0;for(n=0;4>n;++n)l[5*n]=1;l[5*r]=0,l[12+r]=e.axesBounds[+(o[r]>0)][r],M(l,t.model,l);var u=N.clipBounds[r];for(i=0;2>i;++i)for(n=0;3>n;++n)u[i][n]=t.clipBounds[i][n];u[0][r]=-1e8,u[1][r]=1e8}return N.showSurface=a,N.showContour=s,N}function s(t,e){t=t||{};var r=this.gl;r.disable(r.CULL_FACE),this._colorMap.bind(0);var n=B;n.model=t.model||C,n.view=t.view||C,n.projection=t.projection||C,n.lowerBound=[this.bounds[0][0],this.bounds[0][1],this.colorBounds[0]||this.bounds[0][2]],n.upperBound=[this.bounds[1][0],this.bounds[1][1],this.colorBounds[1]||this.bounds[1][2]],n.contourColor=this.contourColor[0],n.inverseModel=k(n.inverseModel,n.model);for(var i=0;2>i;++i)for(var o=n.clipBounds[i],s=0;3>s;++s)o[s]=Math.min(Math.max(this.clipBounds[i][s],-1e8),1e8);n.kambient=this.ambientLight,n.kdiffuse=this.diffuseLight,n.kspecular=this.specularLight,n.roughness=this.roughness,n.fresnel=this.fresnel,n.opacity=this.opacity,n.height=0,n.permutation=V;var l=U;for(M(l,n.view,n.model),M(l,n.projection,l),k(l,l),i=0;3>i;++i)n.eyePosition[i]=l[12+i]/l[15];var u=l[15];for(i=0;3>i;++i)u+=this.lightPosition[i]*l[4*i+3];for(i=0;3>i;++i){var c=l[12+i];for(s=0;3>s;++s)c+=l[4*s+i]*this.lightPosition[s];n.lightPosition[i]=c/u}var h=a(n,this);if(h.showSurface&&e===this.opacity<1){for(this._shader.bind(),this._shader.uniforms=n,this._vao.bind(),this.showSurface&&this._vertexCount&&this._vao.draw(r.TRIANGLES,this._vertexCount),i=0;3>i;++i)this.surfaceProject[i]&&this.vertexCount&&(this._shader.uniforms.model=h.projections[i],this._shader.uniforms.clipBounds=h.clipBounds[i],this._vao.draw(r.TRIANGLES,this._vertexCount));this._vao.unbind()}if(h.showContour&&!e){var f=this._contourShader;n.kambient=1,n.kdiffuse=0,n.kspecular=0,n.opacity=1,f.bind(),f.uniforms=n;var d=this._contourVAO;for(d.bind(),i=0;3>i;++i)for(f.uniforms.permutation=D[i],r.lineWidth(this.contourWidth[i]),s=0;s<this.contourLevels[i].length;++s)this._contourCounts[i][s]&&(s===this.highlightLevel[i]?(f.uniforms.contourColor=this.highlightColor[i],\nf.uniforms.contourTint=this.highlightTint[i]):0!==s&&s-1!==this.highlightLevel[i]||(f.uniforms.contourColor=this.contourColor[i],f.uniforms.contourTint=this.contourTint[i]),f.uniforms.height=this.contourLevels[i][s],d.draw(r.LINES,this._contourCounts[i][s],this._contourOffsets[i][s]));for(i=0;3>i;++i)for(f.uniforms.model=h.projections[i],f.uniforms.clipBounds=h.clipBounds[i],s=0;3>s;++s)if(this.contourProject[i][s]){f.uniforms.permutation=D[s],r.lineWidth(this.contourWidth[s]);for(var p=0;p<this.contourLevels[s].length;++p)p===this.highlightLevel[s]?(f.uniforms.contourColor=this.highlightColor[s],f.uniforms.contourTint=this.highlightTint[s]):0!==p&&p-1!==this.highlightLevel[s]||(f.uniforms.contourColor=this.contourColor[s],f.uniforms.contourTint=this.contourTint[s]),f.uniforms.height=this.contourLevels[s][p],d.draw(r.LINES,this._contourCounts[s][p],this._contourOffsets[s][p])}for(d=this._dynamicVAO,d.bind(),i=0;3>i;++i)if(0!==this._dynamicCounts[i])for(f.uniforms.model=n.model,f.uniforms.clipBounds=n.clipBounds,f.uniforms.permutation=D[i],r.lineWidth(this.dynamicWidth[i]),f.uniforms.contourColor=this.dynamicColor[i],f.uniforms.contourTint=this.dynamicTint[i],f.uniforms.height=this.dynamicLevel[i],d.draw(r.LINES,this._dynamicCounts[i],this._dynamicOffsets[i]),s=0;3>s;++s)this.contourProject[s][i]&&(f.uniforms.model=h.projections[s],f.uniforms.clipBounds=h.clipBounds[s],d.draw(r.LINES,this._dynamicCounts[i],this._dynamicOffsets[i]));d.unbind()}}function l(t,e){var r=e.shape.slice(),n=t.shape.slice();b.assign(t.lo(1,1).hi(r[0],r[1]),e),b.assign(t.lo(1).hi(r[0],1),e.hi(r[0],1)),b.assign(t.lo(1,n[1]-1).hi(r[0],1),e.lo(0,r[1]-1).hi(r[0],1)),b.assign(t.lo(0,1).hi(1,r[1]),e.hi(1)),b.assign(t.lo(n[0]-1,1).hi(1,r[1]),e.lo(r[0]-1)),t.set(0,0,e.get(0,0)),t.set(0,n[1]-1,e.get(0,r[1]-1)),t.set(n[0]-1,0,e.get(r[0]-1,0)),t.set(n[0]-1,n[1]-1,e.get(r[0]-1,r[1]-1))}function u(t,e){return Array.isArray(t)?[e(t[0]),e(t[1]),e(t[2])]:[e(t),e(t),e(t)]}function c(t){return Array.isArray(t)?3===t.length?[t[0],t[1],t[2],1]:[t[0],t[1],t[2],t[3]]:[0,0,0,1]}function h(t){if(Array.isArray(t)){if(Array.isArray(t))return[c(t[0]),c(t[1]),c(t[2])];var e=c(t);return[e.slice(),e.slice(),e.slice()]}}function f(t){var e=t.gl,r=S(e),n=z(e),i=L(e),a=I(e),s=p(e),l=v(e,[{buffer:s,size:4,stride:P,offset:0},{buffer:s,size:3,stride:P,offset:16},{buffer:s,size:3,stride:P,offset:28}]),u=p(e),c=v(e,[{buffer:u,size:4,stride:20,offset:0},{buffer:u,size:1,stride:20,offset:16}]),h=p(e),f=v(e,[{buffer:h,size:2,type:e.FLOAT}]),d=m(e,1,O,e.RGBA,e.UNSIGNED_BYTE);d.minFilter=e.LINEAR,d.magFilter=e.LINEAR;var g=new o(e,[0,0],[[0,0,0],[0,0,0]],r,n,s,l,d,i,a,u,c,h,f),y={levels:[[],[],[]]};for(var b in t)y[b]=t[b];return y.colormap=y.colormap||\"jet\",g.update(y),g}e.exports=f;var d=t(\"bit-twiddle\"),p=t(\"gl-buffer\"),v=t(\"gl-vao\"),m=t(\"gl-texture2d\"),g=t(\"typedarray-pool\"),y=t(\"colormap\"),b=t(\"ndarray-ops\"),x=t(\"ndarray-pack\"),_=t(\"ndarray\"),w=t(\"surface-nets\"),M=t(\"gl-mat4/multiply\"),k=t(\"gl-mat4/invert\"),A=t(\"binary-search-bounds\"),T=t(\"ndarray-gradient\"),E=t(\"./lib/shaders\"),S=E.createShader,L=E.createContourShader,z=E.createPickShader,I=E.createPickContourShader,P=40,C=[1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1],R=[[0,0],[0,1],[1,0],[1,1],[1,0],[0,1]],D=[[0,0,0,0,0,0,0,0,0],[0,0,0,0,0,0,0,0,0],[0,0,0,0,0,0,0,0,0]];!function(){for(var t=0;3>t;++t){var e=D[t],r=(t+1)%3,n=(t+2)%3;e[r+0]=1,e[n+3]=1,e[t+6]=1}}();var O=265,F=o.prototype;F.isTransparent=function(){return this.opacity<1},F.isOpaque=function(){if(this.opacity>=1)return!0;for(var t=0;3>t;++t)if(this._contourCounts[t].length>0||this._dynamicCounts[t]>0)return!0;return!1},F.pickSlots=1,F.setPickBase=function(t){this.pickId=t};var j=[0,0,0],N={showSurface:!1,showContour:!1,projections:[C.slice(),C.slice(),C.slice()],clipBounds:[[[0,0,0],[0,0,0]],[[0,0,0],[0,0,0]],[[0,0,0],[0,0,0]]]},B={model:C,view:C,projection:C,inverseModel:C.slice(),lowerBound:[0,0,0],upperBound:[0,0,0],colorMap:0,clipBounds:[[0,0,0],[0,0,0]],height:0,contourTint:0,contourColor:[0,0,0,1],permutation:[1,0,0,0,1,0,0,0,1],zOffset:-1e-4,kambient:1,kdiffuse:1,kspecular:1,lightPosition:[1e3,1e3,1e3],eyePosition:[0,0,0],roughness:1,fresnel:1,opacity:1},U=C.slice(),V=[1,0,0,0,1,0,0,0,1];F.draw=function(t){return s.call(this,t,!1)},F.drawTransparent=function(t){return s.call(this,t,!0)};var q={model:C,view:C,projection:C,inverseModel:C,clipBounds:[[0,0,0],[0,0,0]],height:0,shape:[0,0],pickId:0,lowerBound:[0,0,0],upperBound:[0,0,0],zOffset:0,permutation:[1,0,0,0,1,0,0,0,1],lightPosition:[0,0,0],eyePosition:[0,0,0]};F.drawPick=function(t){t=t||{};var e=this.gl;e.disable(e.CULL_FACE);var r=q;r.model=t.model||C,r.view=t.view||C,r.projection=t.projection||C,r.shape=this._field[2].shape,r.pickId=this.pickId/255,r.lowerBound=this.bounds[0],r.upperBound=this.bounds[1],r.permutation=V;for(var n=0;2>n;++n)for(var i=r.clipBounds[n],o=0;3>o;++o)i[o]=Math.min(Math.max(this.clipBounds[n][o],-1e8),1e8);var s=a(r,this);if(s.showSurface){for(this._pickShader.bind(),this._pickShader.uniforms=r,this._vao.bind(),this._vao.draw(e.TRIANGLES,this._vertexCount),n=0;3>n;++n)this.surfaceProject[n]&&(this._pickShader.uniforms.model=s.projections[n],this._pickShader.uniforms.clipBounds=s.clipBounds[n],this._vao.draw(e.TRIANGLES,this._vertexCount));this._vao.unbind()}if(s.showContour){var l=this._contourPickShader;l.bind(),l.uniforms=r;var u=this._contourVAO;for(u.bind(),o=0;3>o;++o)for(e.lineWidth(this.contourWidth[o]),l.uniforms.permutation=D[o],n=0;n<this.contourLevels[o].length;++n)this._contourCounts[o][n]&&(l.uniforms.height=this.contourLevels[o][n],u.draw(e.LINES,this._contourCounts[o][n],this._contourOffsets[o][n]));for(n=0;3>n;++n)for(l.uniforms.model=s.projections[n],l.uniforms.clipBounds=s.clipBounds[n],o=0;3>o;++o)if(this.contourProject[n][o]){l.uniforms.permutation=D[o],e.lineWidth(this.contourWidth[o]);for(var c=0;c<this.contourLevels[o].length;++c)this._contourCounts[o][c]&&(l.uniforms.height=this.contourLevels[o][c],u.draw(e.LINES,this._contourCounts[o][c],this._contourOffsets[o][c]))}u.unbind()}},F.pick=function(t){if(!t)return null;if(t.id!==this.pickId)return null;var e=this._field[2].shape,r=this._pickResult,n=e[0]*(t.value[0]+(t.value[2]>>4)/16)/255,i=Math.floor(n),o=n-i,a=e[1]*(t.value[1]+(15&t.value[2])/16)/255,s=Math.floor(a),l=a-s;i+=1,s+=1;var u=r.position;u[0]=u[1]=u[2]=0;for(var c=0;2>c;++c)for(var h=c?o:1-o,f=0;2>f;++f)for(var d=f?l:1-l,p=i+c,v=s+f,m=h*d,g=0;3>g;++g)u[g]+=this._field[g].get(p,v)*m;for(var y=this._pickResult.level,b=0;3>b;++b)if(y[b]=A.le(this.contourLevels[b],u[b]),y[b]<0)this.contourLevels[b].length>0&&(y[b]=0);else if(y[b]<this.contourLevels[b].length-1){var x=this.contourLevels[b][y[b]],_=this.contourLevels[b][y[b]+1];Math.abs(x-u[b])>Math.abs(_-u[b])&&(y[b]+=1)}for(r.index[0]=.5>o?i:i+1,r.index[1]=.5>l?s:s+1,r.uv[0]=n/e[0],r.uv[1]=a/e[1],g=0;3>g;++g)r.dataCoordinate[g]=this._field[g].get(r.index[0],r.index[1]);return r},F.update=function(t){t=t||{},this.dirty=!0,\"contourWidth\"in t&&(this.contourWidth=u(t.contourWidth,Number)),\"showContour\"in t&&(this.showContour=u(t.showContour,Boolean)),\"showSurface\"in t&&(this.showSurface=!!t.showSurface),\"contourTint\"in t&&(this.contourTint=u(t.contourTint,Boolean)),\"contourColor\"in t&&(this.contourColor=h(t.contourColor)),\"contourProject\"in t&&(this.contourProject=u(t.contourProject,function(t){return u(t,Boolean)})),\"surfaceProject\"in t&&(this.surfaceProject=t.surfaceProject),\"dynamicColor\"in t&&(this.dynamicColor=h(t.dynamicColor)),\"dynamicTint\"in t&&(this.dynamicTint=u(t.dynamicTint,Number)),\"dynamicWidth\"in t&&(this.dynamicWidth=u(t.dynamicWidth,Number)),\"opacity\"in t&&(this.opacity=t.opacity),\"colorBounds\"in t&&(this.colorBounds=t.colorBounds);var e=t.field||t.coords&&t.coords[2]||null,r=!1;if(e||(e=this._field[2].shape[0]||this._field[2].shape[2]?this._field[2].lo(1,1).hi(this._field[2].shape[0]-2,this._field[2].shape[1]-2):this._field[2].hi(0,0)),\"field\"in t||\"coords\"in t){var n=(e.shape[0]+2)*(e.shape[1]+2);n>this._field[2].data.length&&(g.freeFloat(this._field[2].data),this._field[2].data=g.mallocFloat(d.nextPow2(n))),this._field[2]=_(this._field[2].data,[e.shape[0]+2,e.shape[1]+2]),l(this._field[2],e),this.shape=e.shape.slice();for(var o=this.shape,a=0;2>a;++a)this._field[2].size>this._field[a].data.length&&(g.freeFloat(this._field[a].data),this._field[a].data=g.mallocFloat(this._field[2].size)),this._field[a]=_(this._field[a].data,[o[0]+2,o[1]+2]);if(t.coords){var s=t.coords;if(!Array.isArray(s)||3!==s.length)throw new Error(\"gl-surface: invalid coordinates for x/y\");for(a=0;2>a;++a){var c=s[a];for(y=0;2>y;++y)if(c.shape[y]!==o[y])throw new Error(\"gl-surface: coords have incorrect shape\");l(this._field[a],c)}}else if(t.ticks){var f=t.ticks;if(!Array.isArray(f)||2!==f.length)throw new Error(\"gl-surface: invalid ticks\");for(a=0;2>a;++a){var p=f[a];if((Array.isArray(p)||p.length)&&(p=_(p)),p.shape[0]!==o[a])throw new Error(\"gl-surface: invalid tick length\");var v=_(p.data,o);v.stride[a]=p.stride[0],v.stride[1^a]=0,l(this._field[a],v)}}else{for(a=0;2>a;++a){var m=[0,0];m[a]=1,this._field[a]=_(this._field[a].data,[o[0]+2,o[1]+2],m,0)}this._field[0].set(0,0,0);for(var y=0;y<o[0];++y)this._field[0].set(y+1,0,y);for(this._field[0].set(o[0]+1,0,o[0]-1),this._field[1].set(0,0,0),y=0;y<o[1];++y)this._field[1].set(0,y+1,y);this._field[1].set(0,o[1]+1,o[1]-1)}var b=this._field,x=_(g.mallocFloat(3*b[2].size*2),[3,o[0]+2,o[1]+2,2]);for(a=0;3>a;++a)T(x.pick(a),b[a],\"mirror\");var M=_(g.mallocFloat(3*b[2].size),[o[0]+2,o[1]+2,3]);for(a=0;a<o[0]+2;++a)for(y=0;y<o[1]+2;++y){var k=x.get(0,a,y,0),A=x.get(0,a,y,1),E=x.get(1,a,y,0),S=x.get(1,a,y,1),L=x.get(2,a,y,0),z=x.get(2,a,y,1),I=E*z-S*L,P=L*A-z*k,C=k*S-A*E,D=Math.sqrt(I*I+P*P+C*C);1e-8>D?(D=Math.max(Math.abs(I),Math.abs(P),Math.abs(C)),1e-8>D?(C=1,P=I=0,D=1):D=1/D):D=1/Math.sqrt(D),M.set(a,y,0,I*D),M.set(a,y,1,P*D),M.set(a,y,2,C*D)}g.free(x.data);var O=[1/0,1/0,1/0],F=[-(1/0),-(1/0),-(1/0)],j=1/0,N=-(1/0),B=(o[0]-1)*(o[1]-1)*6,U=g.mallocFloat(d.nextPow2(10*B)),V=0,q=0;for(a=0;a<o[0]-1;++a)t:for(y=0;y<o[1]-1;++y){for(var G=0;2>G;++G)for(var H=0;2>H;++H)for(var X=0;3>X;++X){var Y=this._field[X].get(1+a+G,1+y+H);if(isNaN(Y)||!isFinite(Y))continue t}for(X=0;6>X;++X){var W=a+R[X][0],Z=y+R[X][1],K=this._field[0].get(W+1,Z+1),J=this._field[1].get(W+1,Z+1);Y=this._field[2].get(W+1,Z+1);var $=Y;I=M.get(W+1,Z+1,0),P=M.get(W+1,Z+1,1),C=M.get(W+1,Z+1,2),t.intensity&&($=t.intensity.get(W,Z)),U[V++]=W,U[V++]=Z,U[V++]=K,U[V++]=J,U[V++]=Y,U[V++]=0,U[V++]=$,U[V++]=I,U[V++]=P,U[V++]=C,O[0]=Math.min(O[0],K),O[1]=Math.min(O[1],J),O[2]=Math.min(O[2],Y),j=Math.min(j,$),F[0]=Math.max(F[0],K),F[1]=Math.max(F[1],J),F[2]=Math.max(F[2],Y),N=Math.max(N,$),q+=1}}for(t.intensityBounds&&(j=+t.intensityBounds[0],N=+t.intensityBounds[1]),a=6;V>a;a+=10)U[a]=(U[a]-j)/(N-j);this._vertexCount=q,this._coordinateBuffer.update(U.subarray(0,V)),g.freeFloat(U),g.free(M.data),this.bounds=[O,F],this.intensity=t.intensity||this._field[2],this.intensityBounds[0]===j&&this.intensityBounds[1]===N||(r=!0),this.intensityBounds=[j,N]}if(\"levels\"in t){var Q=t.levels;for(Q=Array.isArray(Q[0])?Q.slice():[[],[],Q],a=0;3>a;++a)Q[a]=Q[a].slice(),Q.sort(function(t,e){return t-e});t:for(a=0;3>a;++a){if(Q[a].length!==this.contourLevels[a].length){r=!0;break}for(y=0;y<Q[a].length;++y)if(Q[a][y]!==this.contourLevels[a][y]){r=!0;break t}}this.contourLevels=Q}if(r){b=this._field,o=this.shape;for(var tt=[],et=0;3>et;++et){Q=this.contourLevels[et];var rt=[],nt=[],it=[0,0,0];for(a=0;a<Q.length;++a){var ot=w(this._field[et],Q[a]);rt.push(tt.length/5|0),q=0;t:for(y=0;y<ot.cells.length;++y){var at=ot.cells[y];for(X=0;2>X;++X){var st=ot.positions[at[X]],lt=st[0],ut=0|Math.floor(lt),ct=lt-ut,ht=st[1],ft=0|Math.floor(ht),dt=ht-ft,pt=!1;e:for(var vt=0;3>vt;++vt){it[vt]=0;var mt=(et+vt+1)%3;for(G=0;2>G;++G){var gt=G?ct:1-ct;for(W=0|Math.min(Math.max(ut+G,0),o[0]),H=0;2>H;++H){var yt=H?dt:1-dt;if(Z=0|Math.min(Math.max(ft+H,0),o[1]),Y=2>vt?this._field[mt].get(W,Z):(this.intensity.get(W,Z)-this.intensityBounds[0])/(this.intensityBounds[1]-this.intensityBounds[0]),!isFinite(Y)||isNaN(Y)){pt=!0;break e}var bt=gt*yt;it[vt]+=bt*Y}}}if(pt){if(X>0){for(var xt=0;5>xt;++xt)tt.pop();q-=1}continue t}tt.push(it[0],it[1],st[0],st[1],it[2]),q+=1}}nt.push(q)}this._contourOffsets[et]=rt,this._contourCounts[et]=nt}var _t=g.mallocFloat(tt.length);for(a=0;a<tt.length;++a)_t[a]=tt[a];this._contourBuffer.update(_t),g.freeFloat(_t)}t.colormap&&this._colorMap.setPixels(i(t.colormap))},F.dispose=function(){this._shader.dispose(),this._vao.dispose(),this._coordinateBuffer.dispose(),this._colorMap.dispose(),this._contourBuffer.dispose(),this._contourVAO.dispose(),this._contourShader.dispose(),this._contourPickShader.dispose(),this._dynamicBuffer.dispose(),this._dynamicVAO.dispose();for(var t=0;3>t;++t)g.freeFloat(this._field[t].data)},F.highlight=function(t){if(!t)return this._dynamicCounts=[0,0,0],this.dyanamicLevel=[NaN,NaN,NaN],void(this.highlightLevel=[-1,-1,-1]);for(var e=0;3>e;++e)this.enableHighlight[e]?this.highlightLevel[e]=t.level[e]:this.highlightLevel[e]=-1;var r;if(r=this.snapToData?t.dataCoordinate:t.position,this.enableDynamic[0]&&r[0]!==this.dynamicLevel[0]||this.enableDynamic[1]&&r[1]!==this.dynamicLevel[1]||this.enableDynamic[2]&&r[2]!==this.dynamicLevel[2]){for(var n=0,i=this.shape,o=g.mallocFloat(12*i[0]*i[1]),a=0;3>a;++a)if(this.enableDynamic[a]){this.dynamicLevel[a]=r[a];var s=(a+1)%3,l=(a+2)%3,u=this._field[a],c=this._field[s],h=this._field[l],f=(this.intensity,w(u,r[a])),d=f.cells,p=f.positions;for(this._dynamicOffsets[a]=n,e=0;e<d.length;++e)for(var v=d[e],m=0;2>m;++m){var y=p[v[m]],b=+y[0],x=0|b,_=0|Math.min(x+1,i[0]),M=b-x,k=1-M,A=+y[1],T=0|A,E=0|Math.min(T+1,i[1]),S=A-T,L=1-S,z=k*L,I=k*S,P=M*L,C=M*S,R=z*c.get(x,T)+I*c.get(x,E)+P*c.get(_,T)+C*c.get(_,E),D=z*h.get(x,T)+I*h.get(x,E)+P*h.get(_,T)+C*h.get(_,E);if(isNaN(R)||isNaN(D)){m&&(n-=1);break}o[2*n+0]=R,o[2*n+1]=D,n+=1}this._dynamicCounts[a]=n-this._dynamicOffsets[a]}else this.dynamicLevel[a]=NaN,this._dynamicCounts[a]=0;this._dynamicBuffer.update(o.subarray(0,2*n)),g.freeFloat(o)}}},{\"./lib/shaders\":222,\"binary-search-bounds\":223,\"bit-twiddle\":51,colormap:106,\"gl-buffer\":124,\"gl-mat4/invert\":143,\"gl-mat4/multiply\":145,\"gl-texture2d\":228,\"gl-vao\":232,ndarray:433,\"ndarray-gradient\":224,\"ndarray-ops\":432,\"ndarray-pack\":225,\"surface-nets\":452,\"typedarray-pool\":458}],228:[function(t,e,r){\"use strict\";function n(t){m=[t.LINEAR,t.NEAREST_MIPMAP_LINEAR,t.LINEAR_MIPMAP_NEAREST,t.LINEAR_MIPMAP_NEAREST],g=[t.NEAREST,t.LINEAR,t.NEAREST_MIPMAP_NEAREST,t.NEAREST_MIPMAP_LINEAR,t.LINEAR_MIPMAP_NEAREST,t.LINEAR_MIPMAP_LINEAR],y=[t.REPEAT,t.CLAMP_TO_EDGE,t.MIRRORED_REPEAT]}function i(t,e,r){var n=t.gl,i=n.getParameter(n.MAX_TEXTURE_SIZE);if(0>e||e>i||0>r||r>i)throw new Error(\"gl-texture2d: Invalid texture size\");return t._shape=[e,r],t.bind(),n.texImage2D(n.TEXTURE_2D,0,t.format,e,r,0,t.format,t.type,null),t._mipLevels=[0],t}function o(t,e,r,n,i,o){this.gl=t,this.handle=e,this.format=i,this.type=o,this._shape=[r,n],this._mipLevels=[0],this._magFilter=t.NEAREST,this._minFilter=t.NEAREST,this._wrapS=t.CLAMP_TO_EDGE,this._wrapT=t.CLAMP_TO_EDGE,this._anisoSamples=1;var a=this,s=[this._wrapS,this._wrapT];Object.defineProperties(s,[{get:function(){return a._wrapS},set:function(t){return a.wrapS=t}},{get:function(){return a._wrapT},set:function(t){return a.wrapT=t}}]),this._wrapVector=s;var l=[this._shape[0],this._shape[1]];Object.defineProperties(l,[{get:function(){return a._shape[0]},set:function(t){return a.width=t}},{get:function(){return a._shape[1]},set:function(t){return a.height=t}}]),this._shapeVector=l}function a(t,e){return 3===t.length?1===e[2]&&e[1]===t[0]*t[2]&&e[0]===t[2]:1===e[0]&&e[1]===t[0]}function s(t,e,r,n,i,o,s,l){var u=l.dtype,c=l.shape.slice();if(c.length<2||c.length>3)throw new Error(\"gl-texture2d: Invalid ndarray, must be 2d or 3d\");var h=0,f=0,m=a(c,l.stride.slice());\"float32\"===u?h=t.FLOAT:\"float64\"===u?(h=t.FLOAT,m=!1,u=\"float32\"):\"uint8\"===u?h=t.UNSIGNED_BYTE:(h=t.UNSIGNED_BYTE,m=!1,u=\"uint8\");var g=1;if(2===c.length)f=t.LUMINANCE,c=[c[0],c[1],1],l=d(l.data,c,[l.stride[0],l.stride[1],1],l.offset);else{if(3!==c.length)throw new Error(\"gl-texture2d: Invalid shape for texture\");if(1===c[2])f=t.ALPHA;else if(2===c[2])f=t.LUMINANCE_ALPHA;else if(3===c[2])f=t.RGB;else{if(4!==c[2])throw new Error(\"gl-texture2d: Invalid shape for pixel coords\");f=t.RGBA}g=c[2]}if(f!==t.LUMINANCE&&f!==t.ALPHA||i!==t.LUMINANCE&&i!==t.ALPHA||(f=i),f!==i)throw new Error(\"gl-texture2d: Incompatible texture format for setPixels\");var y=l.size,x=s.indexOf(n)<0;if(x&&s.push(n),h===o&&m)0===l.offset&&l.data.length===y?x?t.texImage2D(t.TEXTURE_2D,n,i,c[0],c[1],0,i,o,l.data):t.texSubImage2D(t.TEXTURE_2D,n,e,r,c[0],c[1],i,o,l.data):x?t.texImage2D(t.TEXTURE_2D,n,i,c[0],c[1],0,i,o,l.data.subarray(l.offset,l.offset+y)):t.texSubImage2D(t.TEXTURE_2D,n,e,r,c[0],c[1],i,o,l.data.subarray(l.offset,l.offset+y));else{var _;_=o===t.FLOAT?v.mallocFloat32(y):v.mallocUint8(y);var w=d(_,c,[c[2],c[2]*c[0],1]);h===t.FLOAT&&o===t.UNSIGNED_BYTE?b(w,l):p.assign(w,l),x?t.texImage2D(t.TEXTURE_2D,n,i,c[0],c[1],0,i,o,_.subarray(0,y)):t.texSubImage2D(t.TEXTURE_2D,n,e,r,c[0],c[1],i,o,_.subarray(0,y)),o===t.FLOAT?v.freeFloat32(_):v.freeUint8(_)}}function l(t){var e=t.createTexture();return t.bindTexture(t.TEXTURE_2D,e),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_MIN_FILTER,t.NEAREST),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_MAG_FILTER,t.NEAREST),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_WRAP_S,t.CLAMP_TO_EDGE),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_WRAP_T,t.CLAMP_TO_EDGE),e}function u(t,e,r,n,i){var a=t.getParameter(t.MAX_TEXTURE_SIZE);if(0>e||e>a||0>r||r>a)throw new Error(\"gl-texture2d: Invalid texture shape\");if(i===t.FLOAT&&!t.getExtension(\"OES_texture_float\"))throw new Error(\"gl-texture2d: Floating point textures not supported on this platform\");var s=l(t);return t.texImage2D(t.TEXTURE_2D,0,n,e,r,0,n,i,null),new o(t,s,e,r,n,i)}function c(t,e,r,n){var i=l(t);return t.texImage2D(t.TEXTURE_2D,0,r,r,n,e),new o(t,i,0|e.width,0|e.height,r,n)}function h(t,e){var r=e.dtype,n=e.shape.slice(),i=t.getParameter(t.MAX_TEXTURE_SIZE);if(n[0]<0||n[0]>i||n[1]<0||n[1]>i)throw new Error(\"gl-texture2d: Invalid texture size\");var s=a(n,e.stride.slice()),u=0;\"float32\"===r?u=t.FLOAT:\"float64\"===r?(u=t.FLOAT,s=!1,r=\"float32\"):\"uint8\"===r?u=t.UNSIGNED_BYTE:(u=t.UNSIGNED_BYTE,s=!1,r=\"uint8\");var c=0;if(2===n.length)c=t.LUMINANCE,n=[n[0],n[1],1],e=d(e.data,n,[e.stride[0],e.stride[1],1],e.offset);else{if(3!==n.length)throw new Error(\"gl-texture2d: Invalid shape for texture\");if(1===n[2])c=t.ALPHA;else if(2===n[2])c=t.LUMINANCE_ALPHA;else if(3===n[2])c=t.RGB;else{if(4!==n[2])throw new Error(\"gl-texture2d: Invalid shape for pixel coords\");c=t.RGBA}}u!==t.FLOAT||t.getExtension(\"OES_texture_float\")||(u=t.UNSIGNED_BYTE,s=!1);var h,f,m=e.size;if(s)h=0===e.offset&&e.data.length===m?e.data:e.data.subarray(e.offset,e.offset+m);else{var g=[n[2],n[2]*n[0],1];f=v.malloc(m,r);var y=d(f,n,g,0);\"float32\"!==r&&\"float64\"!==r||u!==t.UNSIGNED_BYTE?p.assign(y,e):b(y,e),h=f.subarray(0,m)}var x=l(t);return t.texImage2D(t.TEXTURE_2D,0,c,n[0],n[1],0,c,u,h),s||v.free(f),new o(t,x,n[0],n[1],c,u)}function f(t){if(arguments.length<=1)throw new Error(\"gl-texture2d: Missing arguments for texture2d constructor\");if(m||n(t),\"number\"==typeof arguments[1])return u(t,arguments[1],arguments[2],arguments[3]||t.RGBA,arguments[4]||t.UNSIGNED_BYTE);if(Array.isArray(arguments[1]))return u(t,0|arguments[1][0],0|arguments[1][1],arguments[2]||t.RGBA,arguments[3]||t.UNSIGNED_BYTE);if(\"object\"==typeof arguments[1]){var e=arguments[1];if(e instanceof HTMLCanvasElement||e instanceof HTMLImageElement||e instanceof HTMLVideoElement||e instanceof ImageData)return c(t,e,arguments[2]||t.RGBA,arguments[3]||t.UNSIGNED_BYTE);if(e.shape&&e.data&&e.stride)return h(t,e)}throw new Error(\"gl-texture2d: Invalid arguments for texture2d constructor\")}var d=t(\"ndarray\"),p=t(\"ndarray-ops\"),v=t(\"typedarray-pool\");e.exports=f;var m=null,g=null,y=null,b=function(t,e){p.muls(t,e,255)},x=o.prototype;Object.defineProperties(x,{minFilter:{get:function(){return this._minFilter},set:function(t){this.bind();var e=this.gl;if(this.type===e.FLOAT&&m.indexOf(t)>=0&&(e.getExtension(\"OES_texture_float_linear\")||(t=e.NEAREST)),g.indexOf(t)<0)throw new Error(\"gl-texture2d: Unknown filter mode \"+t);return e.texParameteri(e.TEXTURE_2D,e.TEXTURE_MIN_FILTER,t),this._minFilter=t}},magFilter:{get:function(){return this._magFilter},set:function(t){this.bind();var e=this.gl;if(this.type===e.FLOAT&&m.indexOf(t)>=0&&(e.getExtension(\"OES_texture_float_linear\")||(t=e.NEAREST)),g.indexOf(t)<0)throw new Error(\"gl-texture2d: Unknown filter mode \"+t);return e.texParameteri(e.TEXTURE_2D,e.TEXTURE_MAG_FILTER,t),this._magFilter=t}},mipSamples:{get:function(){return this._anisoSamples},set:function(t){var e=this._anisoSamples;if(this._anisoSamples=0|Math.max(t,1),e!==this._anisoSamples){var r=gl.getExtension(\"EXT_texture_filter_anisotropic\");r&&this.gl.texParameterf(this.gl.TEXTURE_2D,r.TEXTURE_MAX_ANISOTROPY_EXT,this._anisoSamples)}return this._anisoSamples}},wrapS:{get:function(){return this._wrapS},set:function(t){if(this.bind(),y.indexOf(t)<0)throw new Error(\"gl-texture2d: Unknown wrap mode \"+t);return this.gl.texParameteri(this.gl.TEXTURE_2D,this.gl.TEXTURE_WRAP_S,t),this._wrapS=t}},wrapT:{get:function(){return this._wrapT},set:function(t){if(this.bind(),y.indexOf(t)<0)throw new Error(\"gl-texture2d: Unknown wrap mode \"+t);return this.gl.texParameteri(this.gl.TEXTURE_2D,this.gl.TEXTURE_WRAP_T,t),this._wrapT=t}},wrap:{get:function(){return this._wrapVector},set:function(t){if(Array.isArray(t)||(t=[t,t]),2!==t.length)throw new Error(\"gl-texture2d: Must specify wrap mode for rows and columns\");for(var e=0;2>e;++e)if(y.indexOf(t[e])<0)throw new Error(\"gl-texture2d: Unknown wrap mode \"+t);this._wrapS=t[0],this._wrapT=t[1];var r=this.gl;return this.bind(),r.texParameteri(r.TEXTURE_2D,r.TEXTURE_WRAP_S,this._wrapS),r.texParameteri(r.TEXTURE_2D,r.TEXTURE_WRAP_T,this._wrapT),t}},shape:{get:function(){return this._shapeVector},set:function(t){if(Array.isArray(t)){if(2!==t.length)throw new Error(\"gl-texture2d: Invalid texture shape\")}else t=[0|t,0|t];return i(this,0|t[0],0|t[1]),[0|t[0],0|t[1]]}},width:{get:function(){return this._shape[0]},set:function(t){return t=0|t,i(this,t,this._shape[1]),t}},height:{get:function(){return this._shape[1]},set:function(t){return t=0|t,i(this,this._shape[0],t),t}}}),x.bind=function(t){var e=this.gl;return void 0!==t&&e.activeTexture(e.TEXTURE0+(0|t)),e.bindTexture(e.TEXTURE_2D,this.handle),void 0!==t?0|t:e.getParameter(e.ACTIVE_TEXTURE)-e.TEXTURE0},x.dispose=function(){this.gl.deleteTexture(this.handle)},x.generateMipmap=function(){this.bind(),this.gl.generateMipmap(this.gl.TEXTURE_2D);for(var t=Math.min(this._shape[0],this._shape[1]),e=0;t>0;++e,t>>>=1)this._mipLevels.indexOf(e)<0&&this._mipLevels.push(e)},x.setPixels=function(t,e,r,n){var i=this.gl;if(this.bind(),Array.isArray(e)?(n=r,r=0|e[1],e=0|e[0]):(e=e||0,r=r||0),n=n||0,t instanceof HTMLCanvasElement||t instanceof ImageData||t instanceof HTMLImageElement||t instanceof HTMLVideoElement){var o=this._mipLevels.indexOf(n)<0;o?(i.texImage2D(i.TEXTURE_2D,0,this.format,this.format,this.type,t),this._mipLevels.push(n)):i.texSubImage2D(i.TEXTURE_2D,n,e,r,this.format,this.type,t)}else{if(!(t.shape&&t.stride&&t.data))throw new Error(\"gl-texture2d: Unsupported data type\");if(t.shape.length<2||e+t.shape[1]>this._shape[1]>>>n||r+t.shape[0]>this._shape[0]>>>n||0>e||0>r)throw new Error(\"gl-texture2d: Texture dimensions are out of bounds\");s(i,e,r,n,this.format,this.type,this._mipLevels,t)}}},{ndarray:433,\"ndarray-ops\":432,\"typedarray-pool\":458}],229:[function(t,e,r){\"use strict\";function n(t,e,r){e?e.bind():t.bindBuffer(t.ELEMENT_ARRAY_BUFFER,null);var n=0|t.getParameter(t.MAX_VERTEX_ATTRIBS);if(r){if(r.length>n)throw new Error(\"gl-vao: Too many vertex attributes\");for(var i=0;i<r.length;++i){var o=r[i];if(o.buffer){var a=o.buffer,s=o.size||4,l=o.type||t.FLOAT,u=!!o.normalized,c=o.stride||0,h=o.offset||0;a.bind(),t.enableVertexAttribArray(i),t.vertexAttribPointer(i,s,l,u,c,h)}else{if(\"number\"==typeof o)t.vertexAttrib1f(i,o);else if(1===o.length)t.vertexAttrib1f(i,o[0]);else if(2===o.length)t.vertexAttrib2f(i,o[0],o[1]);else if(3===o.length)t.vertexAttrib3f(i,o[0],o[1],o[2]);else{if(4!==o.length)throw new Error(\"gl-vao: Invalid vertex attribute\");t.vertexAttrib4f(i,o[0],o[1],o[2],o[3])}t.disableVertexAttribArray(i)}}for(;n>i;++i)t.disableVertexAttribArray(i)}else{t.bindBuffer(t.ARRAY_BUFFER,null);for(var i=0;n>i;++i)t.disableVertexAttribArray(i)}}e.exports=n},{}],230:[function(t,e,r){\"use strict\";function n(t){this.gl=t,this._elements=null,this._attributes=null,this._elementsType=t.UNSIGNED_SHORT}function i(t){return new n(t)}var o=t(\"./do-bind.js\");n.prototype.bind=function(){o(this.gl,this._elements,this._attributes)},n.prototype.update=function(t,e,r){this._elements=e,this._attributes=t,this._elementsType=r||this.gl.UNSIGNED_SHORT},n.prototype.dispose=function(){},n.prototype.unbind=function(){},n.prototype.draw=function(t,e,r){r=r||0;var n=this.gl;this._elements?n.drawElements(t,e,this._elementsType,r):n.drawArrays(t,r,e)},e.exports=i},{\"./do-bind.js\":229}],231:[function(t,e,r){\"use strict\";function n(t,e,r,n,i,o){this.location=t,this.dimension=e,this.a=r,this.b=n,this.c=i,this.d=o}function i(t,e,r){this.gl=t,this._ext=e,this.handle=r,this._attribs=[],this._useElements=!1,this._elementsType=t.UNSIGNED_SHORT}function o(t,e){return new i(t,e,e.createVertexArrayOES())}var a=t(\"./do-bind.js\");n.prototype.bind=function(t){switch(this.dimension){case 1:t.vertexAttrib1f(this.location,this.a);break;case 2:t.vertexAttrib2f(this.location,this.a,this.b);break;case 3:t.vertexAttrib3f(this.location,this.a,this.b,this.c);break;case 4:t.vertexAttrib4f(this.location,this.a,this.b,this.c,this.d)}},i.prototype.bind=function(){this._ext.bindVertexArrayOES(this.handle);for(var t=0;t<this._attribs.length;++t)this._attribs[t].bind(this.gl)},i.prototype.unbind=function(){this._ext.bindVertexArrayOES(null)},i.prototype.dispose=function(){this._ext.deleteVertexArrayOES(this.handle)},i.prototype.update=function(t,e,r){if(this.bind(),a(this.gl,e,t),this.unbind(),this._attribs.length=0,t)for(var i=0;i<t.length;++i){var o=t[i];\"number\"==typeof o?this._attribs.push(new n(i,1,o)):Array.isArray(o)&&this._attribs.push(new n(i,o.length,o[0],o[1],o[2],o[3]))}this._useElements=!!e,this._elementsType=r||this.gl.UNSIGNED_SHORT},i.prototype.draw=function(t,e,r){r=r||0;var n=this.gl;this._useElements?n.drawElements(t,e,this._elementsType,r):n.drawArrays(t,r,e)},e.exports=o},{\"./do-bind.js\":229}],232:[function(t,e,r){\"use strict\";function n(t,e,r,n){var a,s=t.getExtension(\"OES_vertex_array_object\");return a=s?i(t,s):o(t),a.update(e,r,n),a}var i=t(\"./lib/vao-native.js\"),o=t(\"./lib/vao-emulated.js\");e.exports=n},{\"./lib/vao-emulated.js\":230,\"./lib/vao-native.js\":231}],233:[function(t,e,r){function n(t,e,r){var n=e[0],i=e[1],o=e[2],a=e[3];return t[0]=r[0]*n+r[4]*i+r[8]*o+r[12]*a,t[1]=r[1]*n+r[5]*i+r[9]*o+r[13]*a,t[2]=r[2]*n+r[6]*i+r[10]*o+r[14]*a,t[3]=r[3]*n+r[7]*i+r[11]*o+r[15]*a,t}e.exports=n},{}],234:[function(t,e,r){function n(t){function e(t){t.length&&V.push({type:M[B],data:t,position:H,line:q,column:G})}function r(t){j=0,W+=t,F=W.length;for(var e;D=W[j],F>j;){switch(e=j,B){case h:j=S();break;case f:j=E();break;case d:j=T();break;case p:j=L();break;case v:j=P();break;case w:j=I();break;case m:j=C();break;case c:j=R();break;case x:j=A();break;case u:j=k()}if(e!==j)switch(W[e]){case\"\\n\":G=0,++q;break;default:++G}}return N+=j,W=W.slice(j),V}function n(t){return U.length&&e(U.join(\"\")),B=_,e(\"(eof)\"),V}function k(){return U=U.length?[]:U,\"/\"===O&&\"*\"===D?(H=N+j-1,B=h,O=D,j+1):\"/\"===O&&\"/\"===D?(H=N+j-1,B=f,O=D,j+1):\"#\"===D?(B=d,H=N+j,j):/\\s/.test(D)?(B=x,H=N+j,j):(X=/\\d/.test(D),Y=/[^\\w_]/.test(D),H=N+j,B=X?v:Y?p:c,j)}function A(){return/[^\\s]/g.test(D)?(e(U.join(\"\")),B=u,j):(U.push(D),O=D,j+1)}function T(){return\"\\n\"===D&&\"\\\\\"!==O?(e(U.join(\"\")),B=u,j):(U.push(D),O=D,j+1)}function E(){return T()}function S(){return\"/\"===D&&\"*\"===O?(U.push(D),e(U.join(\"\")),B=u,j+1):(U.push(D),O=D,j+1)}function L(){if(\".\"===O&&/\\d/.test(D))return B=m,j;if(\"/\"===O&&\"*\"===D)return B=h,j;if(\"/\"===O&&\"/\"===D)return B=f,j;if(\".\"===D&&U.length){for(;z(U););return B=m,j}if(\";\"===D||\")\"===D||\"(\"===D){if(U.length)for(;z(U););return e(D),B=u,j+1}var t=2===U.length&&\"=\"!==D;if(/[\\w_\\d\\s]/.test(D)||t){for(;z(U););return B=u,j}return U.push(D),O=D,j+1}function z(t){for(var r,n,i=0;;){if(r=o.indexOf(t.slice(0,t.length+i).join(\"\")),n=o[r],-1===r){if(i--+t.length>0)continue;n=t.slice(0,1).join(\"\")}return e(n),H+=n.length,U=U.slice(n.length),U.length}}function I(){return/[^a-fA-F0-9]/.test(D)?(e(U.join(\"\")),B=u,j):(U.push(D),O=D,j+1)}function P(){return\".\"===D?(U.push(D),B=m,O=D,j+1):/[eE]/.test(D)?(U.push(D),B=m,O=D,j+1):\"x\"===D&&1===U.length&&\"0\"===U[0]?(B=w,U.push(D),O=D,j+1):/[^\\d]/.test(D)?(e(U.join(\"\")),B=u,j):(U.push(D),O=D,j+1)}function C(){return\"f\"===D&&(U.push(D),O=D,j+=1),/[eE]/.test(D)?(U.push(D),O=D,j+1):\"-\"===D&&/[eE]/.test(O)?(U.push(D),O=D,j+1):/[^\\d]/.test(D)?(e(U.join(\"\")),B=u,j):(U.push(D),O=D,j+1)}function R(){if(/[^\\d\\w_]/.test(D)){var t=U.join(\"\");return B=K.indexOf(t)>-1?b:Z.indexOf(t)>-1?y:g,e(U.join(\"\")),B=u,j}return U.push(D),O=D,j+1}var D,O,F,j=0,N=0,B=u,U=[],V=[],q=1,G=0,H=0,X=!1,Y=!1,W=\"\";t=t||{};var Z=a,K=i;return\"300 es\"===t.version&&(Z=l,K=s),function(t){return V=[],null!==t?r(t):n()}}e.exports=n;var i=t(\"./lib/literals\"),o=t(\"./lib/operators\"),a=t(\"./lib/builtins\"),s=t(\"./lib/literals-300es\"),l=t(\"./lib/builtins-300es\"),u=999,c=9999,h=0,f=1,d=2,p=3,v=4,m=5,g=6,y=7,b=8,x=9,_=10,w=11,M=[\"block-comment\",\"line-comment\",\"preprocessor\",\"operator\",\"integer\",\"float\",\"ident\",\"builtin\",\"keyword\",\"whitespace\",\"eof\",\"integer\"]},{\"./lib/builtins\":236,\"./lib/builtins-300es\":235,\"./lib/literals\":238,\"./lib/literals-300es\":237,\"./lib/operators\":239}],235:[function(t,e,r){var n=t(\"./builtins\");n=n.slice().filter(function(t){return!/^(gl\\_|texture)/.test(t)}),e.exports=n.concat([\"gl_VertexID\",\"gl_InstanceID\",\"gl_Position\",\"gl_PointSize\",\"gl_FragCoord\",\"gl_FrontFacing\",\"gl_FragDepth\",\"gl_PointCoord\",\"gl_MaxVertexAttribs\",\"gl_MaxVertexUniformVectors\",\"gl_MaxVertexOutputVectors\",\"gl_MaxFragmentInputVectors\",\"gl_MaxVertexTextureImageUnits\",\"gl_MaxCombinedTextureImageUnits\",\"gl_MaxTextureImageUnits\",\"gl_MaxFragmentUniformVectors\",\"gl_MaxDrawBuffers\",\"gl_MinProgramTexelOffset\",\"gl_MaxProgramTexelOffset\",\"gl_DepthRangeParameters\",\"gl_DepthRange\",\"trunc\",\"round\",\"roundEven\",\"isnan\",\"isinf\",\"floatBitsToInt\",\"floatBitsToUint\",\"intBitsToFloat\",\"uintBitsToFloat\",\"packSnorm2x16\",\"unpackSnorm2x16\",\"packUnorm2x16\",\"unpackUnorm2x16\",\"packHalf2x16\",\"unpackHalf2x16\",\"outerProduct\",\"transpose\",\"determinant\",\"inverse\",\"texture\",\"textureSize\",\"textureProj\",\"textureLod\",\"textureOffset\",\"texelFetch\",\"texelFetchOffset\",\"textureProjOffset\",\"textureLodOffset\",\"textureProjLod\",\"textureProjLodOffset\",\"textureGrad\",\"textureGradOffset\",\"textureProjGrad\",\"textureProjGradOffset\"])},{\"./builtins\":236}],236:[function(t,e,r){e.exports=[\"abs\",\"acos\",\"all\",\"any\",\"asin\",\"atan\",\"ceil\",\"clamp\",\"cos\",\"cross\",\"dFdx\",\"dFdy\",\"degrees\",\"distance\",\"dot\",\"equal\",\"exp\",\"exp2\",\"faceforward\",\"floor\",\"fract\",\"gl_BackColor\",\"gl_BackLightModelProduct\",\"gl_BackLightProduct\",\"gl_BackMaterial\",\"gl_BackSecondaryColor\",\"gl_ClipPlane\",\"gl_ClipVertex\",\"gl_Color\",\"gl_DepthRange\",\"gl_DepthRangeParameters\",\"gl_EyePlaneQ\",\"gl_EyePlaneR\",\"gl_EyePlaneS\",\"gl_EyePlaneT\",\"gl_Fog\",\"gl_FogCoord\",\"gl_FogFragCoord\",\"gl_FogParameters\",\"gl_FragColor\",\"gl_FragCoord\",\"gl_FragData\",\"gl_FragDepth\",\"gl_FragDepthEXT\",\"gl_FrontColor\",\"gl_FrontFacing\",\"gl_FrontLightModelProduct\",\"gl_FrontLightProduct\",\"gl_FrontMaterial\",\"gl_FrontSecondaryColor\",\"gl_LightModel\",\"gl_LightModelParameters\",\"gl_LightModelProducts\",\"gl_LightProducts\",\"gl_LightSource\",\"gl_LightSourceParameters\",\"gl_MaterialParameters\",\"gl_MaxClipPlanes\",\"gl_MaxCombinedTextureImageUnits\",\"gl_MaxDrawBuffers\",\"gl_MaxFragmentUniformComponents\",\"gl_MaxLights\",\"gl_MaxTextureCoords\",\"gl_MaxTextureImageUnits\",\"gl_MaxTextureUnits\",\"gl_MaxVaryingFloats\",\"gl_MaxVertexAttribs\",\"gl_MaxVertexTextureImageUnits\",\"gl_MaxVertexUniformComponents\",\"gl_ModelViewMatrix\",\"gl_ModelViewMatrixInverse\",\"gl_ModelViewMatrixInverseTranspose\",\"gl_ModelViewMatrixTranspose\",\"gl_ModelViewProjectionMatrix\",\"gl_ModelViewProjectionMatrixInverse\",\"gl_ModelViewProjectionMatrixInverseTranspose\",\"gl_ModelViewProjectionMatrixTranspose\",\"gl_MultiTexCoord0\",\"gl_MultiTexCoord1\",\"gl_MultiTexCoord2\",\"gl_MultiTexCoord3\",\"gl_MultiTexCoord4\",\"gl_MultiTexCoord5\",\"gl_MultiTexCoord6\",\"gl_MultiTexCoord7\",\"gl_Normal\",\"gl_NormalMatrix\",\"gl_NormalScale\",\"gl_ObjectPlaneQ\",\"gl_ObjectPlaneR\",\"gl_ObjectPlaneS\",\"gl_ObjectPlaneT\",\"gl_Point\",\"gl_PointCoord\",\"gl_PointParameters\",\"gl_PointSize\",\"gl_Position\",\"gl_ProjectionMatrix\",\"gl_ProjectionMatrixInverse\",\"gl_ProjectionMatrixInverseTranspose\",\"gl_ProjectionMatrixTranspose\",\"gl_SecondaryColor\",\"gl_TexCoord\",\"gl_TextureEnvColor\",\"gl_TextureMatrix\",\"gl_TextureMatrixInverse\",\"gl_TextureMatrixInverseTranspose\",\"gl_TextureMatrixTranspose\",\"gl_Vertex\",\"greaterThan\",\"greaterThanEqual\",\"inversesqrt\",\"length\",\"lessThan\",\"lessThanEqual\",\"log\",\"log2\",\"matrixCompMult\",\"max\",\"min\",\"mix\",\"mod\",\"normalize\",\"not\",\"notEqual\",\"pow\",\"radians\",\"reflect\",\"refract\",\"sign\",\"sin\",\"smoothstep\",\"sqrt\",\"step\",\"tan\",\"texture2D\",\"texture2DLod\",\"texture2DProj\",\"texture2DProjLod\",\"textureCube\",\"textureCubeLod\",\"texture2DLodEXT\",\"texture2DProjLodEXT\",\"textureCubeLodEXT\",\"texture2DGradEXT\",\"texture2DProjGradEXT\",\"textureCubeGradEXT\"];\n},{}],237:[function(t,e,r){var n=t(\"./literals\");e.exports=n.slice().concat([\"layout\",\"centroid\",\"smooth\",\"case\",\"mat2x2\",\"mat2x3\",\"mat2x4\",\"mat3x2\",\"mat3x3\",\"mat3x4\",\"mat4x2\",\"mat4x3\",\"mat4x4\",\"uint\",\"uvec2\",\"uvec3\",\"uvec4\",\"samplerCubeShadow\",\"sampler2DArray\",\"sampler2DArrayShadow\",\"isampler2D\",\"isampler3D\",\"isamplerCube\",\"isampler2DArray\",\"usampler2D\",\"usampler3D\",\"usamplerCube\",\"usampler2DArray\",\"coherent\",\"restrict\",\"readonly\",\"writeonly\",\"resource\",\"atomic_uint\",\"noperspective\",\"patch\",\"sample\",\"subroutine\",\"common\",\"partition\",\"active\",\"filter\",\"image1D\",\"image2D\",\"image3D\",\"imageCube\",\"iimage1D\",\"iimage2D\",\"iimage3D\",\"iimageCube\",\"uimage1D\",\"uimage2D\",\"uimage3D\",\"uimageCube\",\"image1DArray\",\"image2DArray\",\"iimage1DArray\",\"iimage2DArray\",\"uimage1DArray\",\"uimage2DArray\",\"image1DShadow\",\"image2DShadow\",\"image1DArrayShadow\",\"image2DArrayShadow\",\"imageBuffer\",\"iimageBuffer\",\"uimageBuffer\",\"sampler1DArray\",\"sampler1DArrayShadow\",\"isampler1D\",\"isampler1DArray\",\"usampler1D\",\"usampler1DArray\",\"isampler2DRect\",\"usampler2DRect\",\"samplerBuffer\",\"isamplerBuffer\",\"usamplerBuffer\",\"sampler2DMS\",\"isampler2DMS\",\"usampler2DMS\",\"sampler2DMSArray\",\"isampler2DMSArray\",\"usampler2DMSArray\"])},{\"./literals\":238}],238:[function(t,e,r){e.exports=[\"precision\",\"highp\",\"mediump\",\"lowp\",\"attribute\",\"const\",\"uniform\",\"varying\",\"break\",\"continue\",\"do\",\"for\",\"while\",\"if\",\"else\",\"in\",\"out\",\"inout\",\"float\",\"int\",\"void\",\"bool\",\"true\",\"false\",\"discard\",\"return\",\"mat2\",\"mat3\",\"mat4\",\"vec2\",\"vec3\",\"vec4\",\"ivec2\",\"ivec3\",\"ivec4\",\"bvec2\",\"bvec3\",\"bvec4\",\"sampler1D\",\"sampler2D\",\"sampler3D\",\"samplerCube\",\"sampler1DShadow\",\"sampler2DShadow\",\"struct\",\"asm\",\"class\",\"union\",\"enum\",\"typedef\",\"template\",\"this\",\"packed\",\"goto\",\"switch\",\"default\",\"inline\",\"noinline\",\"volatile\",\"public\",\"static\",\"extern\",\"external\",\"interface\",\"long\",\"short\",\"double\",\"half\",\"fixed\",\"unsigned\",\"input\",\"output\",\"hvec2\",\"hvec3\",\"hvec4\",\"dvec2\",\"dvec3\",\"dvec4\",\"fvec2\",\"fvec3\",\"fvec4\",\"sampler2DRect\",\"sampler3DRect\",\"sampler2DRectShadow\",\"sizeof\",\"cast\",\"namespace\",\"using\"]},{}],239:[function(t,e,r){e.exports=[\"<<=\",\">>=\",\"++\",\"--\",\"<<\",\">>\",\"<=\",\">=\",\"==\",\"!=\",\"&&\",\"||\",\"+=\",\"-=\",\"*=\",\"/=\",\"%=\",\"&=\",\"^^\",\"^=\",\"|=\",\"(\",\")\",\"[\",\"]\",\".\",\"!\",\"~\",\"*\",\"/\",\"%\",\"+\",\"-\",\"<\",\">\",\"&\",\"^\",\"|\",\"?\",\":\",\"=\",\",\",\";\",\"{\",\"}\"]},{}],240:[function(t,e,r){function n(t,e){var r=i(e),n=[];return n=n.concat(r(t)),n=n.concat(r(null))}var i=t(\"./index\");e.exports=n},{\"./index\":234}],241:[function(t,e,r){\"use strict\";function n(t,e,r){this.vertices=t,this.adjacent=e,this.boundary=r,this.lastVisited=-1}function i(t,e,r){this.vertices=t,this.cell=e,this.index=r}function o(t,e){return c(t.vertices,e.vertices)}function a(t){for(var e=[\"function orient(){var tuple=this.tuple;return test(\"],r=0;t>=r;++r)r>0&&e.push(\",\"),e.push(\"tuple[\",r,\"]\");e.push(\")}return orient\");var n=new Function(\"test\",e.join(\"\")),i=u[t+1];return i||(i=u),n(i)}function s(t,e,r){this.dimension=t,this.vertices=e,this.simplices=r,this.interior=r.filter(function(t){return!t.boundary}),this.tuple=new Array(t+1);for(var n=0;t>=n;++n)this.tuple[n]=this.vertices[n];var i=h[t];i||(i=h[t]=a(t)),this.orient=i}function l(t,e){var r=t.length;if(0===r)throw new Error(\"Must have at least d+1 points\");var i=t[0].length;if(i>=r)throw new Error(\"Must input at least d+1 points\");var o=t.slice(0,i+1),a=u.apply(void 0,o);if(0===a)throw new Error(\"Input not in general position\");for(var l=new Array(i+1),c=0;i>=c;++c)l[c]=c;0>a&&(l[0]=1,l[1]=0);for(var h=new n(l,new Array(i+1),!1),f=h.adjacent,d=new Array(i+2),c=0;i>=c;++c){for(var p=l.slice(),v=0;i>=v;++v)v===c&&(p[v]=-1);var m=p[0];p[0]=p[1],p[1]=m;var g=new n(p,new Array(i+1),!0);f[c]=g,d[c]=g}d[i+1]=h;for(var c=0;i>=c;++c)for(var p=f[c].vertices,y=f[c].adjacent,v=0;i>=v;++v){var b=p[v];if(0>b)y[v]=h;else for(var x=0;i>=x;++x)f[x].vertices.indexOf(b)<0&&(y[v]=f[x])}for(var _=new s(i,o,d),w=!!e,c=i+1;r>c;++c)_.insert(t[c],w);return _.boundary()}e.exports=l;var u=t(\"robust-orientation\"),c=t(\"simplicial-complex\").compareCells;n.prototype.flip=function(){var t=this.vertices[0];this.vertices[0]=this.vertices[1],this.vertices[1]=t;var e=this.adjacent[0];this.adjacent[0]=this.adjacent[1],this.adjacent[1]=e};var h=[],f=s.prototype;f.handleBoundaryDegeneracy=function(t,e){var r=this.dimension,n=this.vertices.length-1,i=this.tuple,o=this.vertices,a=[t];for(t.lastVisited=-n;a.length>0;){t=a.pop();for(var s=(t.vertices,t.adjacent),l=0;r>=l;++l){var u=s[l];if(u.boundary&&!(u.lastVisited<=-n)){for(var c=u.vertices,h=0;r>=h;++h){var f=c[h];0>f?i[h]=e:i[h]=o[f]}var d=this.orient();if(d>0)return u;u.lastVisited=-n,0===d&&a.push(u)}}}return null},f.walk=function(t,e){var r=this.vertices.length-1,n=this.dimension,i=this.vertices,o=this.tuple,a=e?this.interior.length*Math.random()|0:this.interior.length-1,s=this.interior[a];t:for(;!s.boundary;){for(var l=s.vertices,u=s.adjacent,c=0;n>=c;++c)o[c]=i[l[c]];s.lastVisited=r;for(var c=0;n>=c;++c){var h=u[c];if(!(h.lastVisited>=r)){var f=o[c];o[c]=t;var d=this.orient();if(o[c]=f,0>d){s=h;continue t}h.boundary?h.lastVisited=-r:h.lastVisited=r}}return}return s},f.addPeaks=function(t,e){var r=this.vertices.length-1,a=this.dimension,s=this.vertices,l=this.tuple,u=this.interior,c=this.simplices,h=[e];e.lastVisited=r,e.vertices[e.vertices.indexOf(-1)]=r,e.boundary=!1,u.push(e);for(var f=[];h.length>0;){var e=h.pop(),d=e.vertices,p=e.adjacent,v=d.indexOf(r);if(!(0>v))for(var m=0;a>=m;++m)if(m!==v){var g=p[m];if(g.boundary&&!(g.lastVisited>=r)){var y=g.vertices;if(g.lastVisited!==-r){for(var b=0,x=0;a>=x;++x)y[x]<0?(b=x,l[x]=t):l[x]=s[y[x]];var _=this.orient();if(_>0){y[b]=r,g.boundary=!1,u.push(g),h.push(g),g.lastVisited=r;continue}g.lastVisited=-r}var w=g.adjacent,M=d.slice(),k=p.slice(),A=new n(M,k,!0);c.push(A);var T=w.indexOf(e);if(!(0>T)){w[T]=A,k[v]=g,M[m]=-1,k[m]=e,p[m]=A,A.flip();for(var x=0;a>=x;++x){var E=M[x];if(!(0>E||E===r)){for(var S=new Array(a-1),L=0,z=0;a>=z;++z){var I=M[z];0>I||z===x||(S[L++]=I)}f.push(new i(S,A,x))}}}}}}f.sort(o);for(var m=0;m+1<f.length;m+=2){var P=f[m],C=f[m+1],R=P.index,D=C.index;0>R||0>D||(P.cell.adjacent[P.index]=C.cell,C.cell.adjacent[C.index]=P.cell)}},f.insert=function(t,e){var r=this.vertices;r.push(t);var n=this.walk(t,e);if(n){for(var i=this.dimension,o=this.tuple,a=0;i>=a;++a){var s=n.vertices[a];0>s?o[a]=t:o[a]=r[s]}var l=this.orient(o);0>l||(0!==l||(n=this.handleBoundaryDegeneracy(n,t)))&&this.addPeaks(t,n)}},f.boundary=function(){for(var t=this.dimension,e=[],r=this.simplices,n=r.length,i=0;n>i;++i){var o=r[i];if(o.boundary){for(var a=new Array(t),s=o.vertices,l=0,u=0,c=0;t>=c;++c)s[c]>=0?a[l++]=s[c]:u=1&c;if(u===(1&t)){var h=a[0];a[0]=a[1],a[1]=h}e.push(a)}}return e}},{\"robust-orientation\":439,\"simplicial-complex\":244}],242:[function(t,e,r){arguments[4][51][0].apply(r,arguments)},{dup:51}],243:[function(t,e,r){arguments[4][103][0].apply(r,arguments)},{dup:103}],244:[function(t,e,r){\"use strict\";\"use restrict\";function n(t){for(var e=0,r=Math.max,n=0,i=t.length;i>n;++n)e=r(e,t[n].length);return e-1}function i(t){for(var e=-1,r=Math.max,n=0,i=t.length;i>n;++n)for(var o=t[n],a=0,s=o.length;s>a;++a)e=r(e,o[a]);return e+1}function o(t){for(var e=new Array(t.length),r=0,n=t.length;n>r;++r)e[r]=t[r].slice(0);return e}function a(t,e){var r=t.length,n=t.length-e.length,i=Math.min;if(n)return n;switch(r){case 0:return 0;case 1:return t[0]-e[0];case 2:var o=t[0]+t[1]-e[0]-e[1];return o?o:i(t[0],t[1])-i(e[0],e[1]);case 3:var a=t[0]+t[1],s=e[0]+e[1];if(o=a+t[2]-(s+e[2]))return o;var l=i(t[0],t[1]),u=i(e[0],e[1]),o=i(l,t[2])-i(u,e[2]);return o?o:i(l+t[2],a)-i(u+e[2],s);default:var c=t.slice(0);c.sort();var h=e.slice(0);h.sort();for(var f=0;r>f;++f)if(n=c[f]-h[f])return n;return 0}}function s(t,e){return a(t[0],e[0])}function l(t,e){if(e){for(var r=t.length,n=new Array(r),i=0;r>i;++i)n[i]=[t[i],e[i]];n.sort(s);for(var i=0;r>i;++i)t[i]=n[i][0],e[i]=n[i][1];return t}return t.sort(a),t}function u(t){if(0===t.length)return[];for(var e=1,r=t.length,n=1;r>n;++n){var i=t[n];if(a(i,t[n-1])){if(n===e){e++;continue}t[e++]=i}}return t.length=e,t}function c(t,e){for(var r=0,n=t.length-1,i=-1;n>=r;){var o=r+n>>1,s=a(t[o],e);0>=s?(0===s&&(i=o),r=o+1):s>0&&(n=o-1)}return i}function h(t,e){for(var r=new Array(t.length),n=0,i=r.length;i>n;++n)r[n]=[];for(var o=[],n=0,s=e.length;s>n;++n)for(var l=e[n],u=l.length,h=1,f=1<<u;f>h;++h){o.length=b.popCount(h);for(var d=0,p=0;u>p;++p)h&1<<p&&(o[d++]=l[p]);var v=c(t,o);if(!(0>v))for(;;)if(r[v++].push(n),v>=t.length||0!==a(t[v],o))break}return r}function f(t,e){if(!e)return h(u(p(t,0)),t,0);for(var r=new Array(e),n=0;e>n;++n)r[n]=[];for(var n=0,i=t.length;i>n;++n)for(var o=t[n],a=0,s=o.length;s>a;++a)r[o[a]].push(n);return r}function d(t){for(var e=[],r=0,n=t.length;n>r;++r)for(var i=t[r],o=0|i.length,a=1,s=1<<o;s>a;++a){for(var u=[],c=0;o>c;++c)a>>>c&1&&u.push(i[c]);e.push(u)}return l(e)}function p(t,e){if(0>e)return[];for(var r=[],n=(1<<e+1)-1,i=0;i<t.length;++i)for(var o=t[i],a=n;a<1<<o.length;a=b.nextCombination(a)){for(var s=new Array(e+1),u=0,c=0;c<o.length;++c)a&1<<c&&(s[u++]=o[c]);r.push(s)}return l(r)}function v(t){for(var e=[],r=0,n=t.length;n>r;++r)for(var i=t[r],o=0,a=i.length;a>o;++o){for(var s=new Array(i.length-1),u=0,c=0;a>u;++u)u!==o&&(s[c++]=i[u]);e.push(s)}return l(e)}function m(t,e){for(var r=new x(e),n=0;n<t.length;++n)for(var i=t[n],o=0;o<i.length;++o)for(var a=o+1;a<i.length;++a)r.link(i[o],i[a]);for(var s=[],l=r.ranks,n=0;n<l.length;++n)l[n]=-1;for(var n=0;n<t.length;++n){var u=r.find(t[n][0]);l[u]<0?(l[u]=s.length,s.push([t[n].slice(0)])):s[l[u]].push(t[n].slice(0))}return s}function g(t){for(var e=u(l(p(t,0))),r=new x(e.length),n=0;n<t.length;++n)for(var i=t[n],o=0;o<i.length;++o)for(var a=c(e,[i[o]]),s=o+1;s<i.length;++s)r.link(a,c(e,[i[s]]));for(var h=[],f=r.ranks,n=0;n<f.length;++n)f[n]=-1;for(var n=0;n<t.length;++n){var d=r.find(c(e,[t[n][0]]));f[d]<0?(f[d]=h.length,h.push([t[n].slice(0)])):h[f[d]].push(t[n].slice(0))}return h}function y(t,e){return e?m(t,e):g(t)}var b=t(\"bit-twiddle\"),x=t(\"union-find\");r.dimension=n,r.countVertices=i,r.cloneCells=o,r.compareCells=a,r.normalize=l,r.unique=u,r.findCell=c,r.incidence=h,r.dual=f,r.explode=d,r.skeleton=p,r.boundary=v,r.connectedComponents=y},{\"bit-twiddle\":242,\"union-find\":243}],245:[function(t,e,r){\"use strict\";function n(t){for(var e=new Array(t),r=0;t>r;++r)e[r]=r;return e}e.exports=n},{}],246:[function(t,e,r){e.exports=function(t){return!(null==t||!(t._isBuffer||t.constructor&&\"function\"==typeof t.constructor.isBuffer&&t.constructor.isBuffer(t)))}},{}],247:[function(t,e,r){\"use strict\";function n(t){if(this.zoom=t.zoom,this.overscaling=t.overscaling,this.layer=t.layer,this.childLayers=t.childLayers,this.type=this.layer.type,this.features=[],this.id=this.layer.id,this.index=t.index,this.sourceLayer=this.layer.sourceLayer,this.sourceLayerIndex=t.sourceLayerIndex,this.minZoom=this.layer.minzoom,this.maxZoom=this.layer.maxzoom,this.paintAttributes=o(this),t.arrays){var e=this.childLayers;this.bufferGroups=c.mapObject(t.arrays,function(r,n){return r.map(function(r){var i=c.mapObject(r,function(e,r){return c.mapObject(e,function(e,i){var o=t.arrayTypes[n][r][i],a=o.members.length&&\"vertices\"===o.members[0].name?u.BufferType.ELEMENT:u.BufferType.VERTEX;return new u(e,o,a)})});i.vaos={},i.layout.element2&&(i.secondVaos={});for(var o=0;o<e.length;o++){var a=e[o].id;i.vaos[a]=new f,i.layout.element2&&(i.secondVaos[a]=new f)}return i})})}}function i(t){return new h({members:[{type:u.ELEMENT_ATTRIBUTE_TYPE,name:\"vertices\",components:t||3}]})}function o(t){var e={};for(var r in t.programInterfaces){for(var n=e[r]={},i=0;i<t.childLayers.length;i++){var o=t.childLayers[i];n[o.id]={attributes:[],uniforms:[]}}var l=t.programInterfaces[r];if(l.paintAttributes)for(var u=0;u<l.paintAttributes.length;u++)for(var h=l.paintAttributes[u],f=0;f<t.childLayers.length;f++){var d=t.childLayers[f],p=n[d.id];if(d.isPaintValueFeatureConstant(h.paintProperty))p.uniforms.push(h);else if(d.isPaintValueZoomConstant(h.paintProperty))p.attributes.push(h);else{for(var v=d.getPaintValueStopZoomLevels(h.paintProperty),m=0;m<v.length&&v[m]<t.zoom;)m++;for(var g=Math.max(0,Math.min(v.length-4,m-2)),y=[],b=0;4>b;b++)y.push(v[Math.min(g+b,v.length-1)]);var x=h.components;if(1===x)p.attributes.push(c.extend({},h,{getValue:a(h,y),isFunction:!0,components:4*x}));else for(var _=0;4>_;_++)p.attributes.push(c.extend({},h,{getValue:a(h,[y[_]]),isFunction:!0,name:h.name+_}));p.uniforms.push(c.extend({},h,{name:\"u_\"+h.name.slice(2)+\"_t\",getValue:s(h,g),components:1}))}}}return e}function a(t,e){return function(r,n,i){if(1===e.length)return t.getValue(r,c.extend({},n,{zoom:e[0]}),i);for(var o=[],a=0;a<e.length;a++){var s=e[a];o.push(t.getValue(r,c.extend({},n,{zoom:s}),i)[0])}return o}}function s(t,e){return function(r,n){var i=r.getPaintInterpolationT(t.paintProperty,n.zoom);return[Math.max(0,Math.min(4,i-e))]}}var l=t(\"feature-filter\"),u=t(\"./buffer\"),c=t(\"../util/util\"),h=t(\"../util/struct_array\"),f=t(\"../render/vertex_array_object\");e.exports=n,n.create=function(e){var r={fill:t(\"./bucket/fill_bucket\"),line:t(\"./bucket/line_bucket\"),circle:t(\"./bucket/circle_bucket\"),symbol:t(\"./bucket/symbol_bucket\")};return new r[e.layer.type](e)},n.EXTENT=8192,n.prototype.populateBuffers=function(){this.createArrays(),this.recalculateStyleLayers();for(var t=0;t<this.features.length;t++)this.addFeature(this.features[t]);this.trimArrays()},n.prototype.makeRoomFor=function(t,e){var r=this.arrayGroups[t],n=r.length&&r[r.length-1];if(!n||n.layout.vertex.length+e>65535){var i=this.arrayTypes[t],o=i.layout.vertex,a=i.layout.element,s=i.layout.element2;n={index:r.length,layout:{},paint:{}},n.layout.vertex=new o,a&&(n.layout.element=new a),s&&(n.layout.element2=new s);for(var l=0;l<this.childLayers.length;l++){var u=this.childLayers[l].id,c=i.paint[u];n.paint[u]=new c}r.push(n)}return n},n.prototype.createArrays=function(){this.arrayGroups={},this.arrayTypes={};for(var t in this.programInterfaces){var e=this.programInterfaces[t],r=this.arrayTypes[t]={layout:{},paint:{}};if(this.arrayGroups[t]=[],e.vertexBuffer){var n=new h({members:this.programInterfaces[t].layoutAttributes,alignment:u.VERTEX_ATTRIBUTE_ALIGNMENT});r.layout.vertex=n;var o=this.paintAttributes[t];for(var a in o){var s=new h({members:o[a].attributes,alignment:u.VERTEX_ATTRIBUTE_ALIGNMENT});r.paint[a]=s}}if(e.elementBuffer){var l=i(e.elementBufferComponents);r.layout.element=l}if(e.elementBuffer2){var c=i(e.elementBuffer2Components);r.layout.element2=c}}},n.prototype.destroy=function(t){for(var e in this.bufferGroups)for(var r=this.bufferGroups[e],n=0;n<r.length;n++){var i=r[n];for(var o in i.paint)i.paint[o].destroy(t);for(var a in i.layout)i.layout[a].destroy(t);for(var s in i.vaos)i.vaos[s].destroy(t);for(var l in i.secondVaos)i.secondVaos[l].destroy(t)}},n.prototype.trimArrays=function(){for(var t in this.arrayGroups){var e=this.arrayGroups[t];for(var r in e.paint)e.paint[r].trim();for(var n in e.layout)e.layout[n].trim()}},n.prototype.setUniforms=function(t,e,r,n,i){for(var o=this.paintAttributes[e][n.id].uniforms,a=0;a<o.length;a++){var s=o[a],l=r[s.name];t[\"uniform\"+s.components+\"fv\"](l,s.getValue(n,i))}},n.prototype.serialize=function(){return{layerId:this.layer.id,zoom:this.zoom,arrays:c.mapObject(this.arrayGroups,function(t){return t.map(function(t){return c.mapObject(t,function(t){return c.mapObject(t,function(t){return t.serialize()})})})}),arrayTypes:c.mapObject(this.arrayTypes,function(t){return c.mapObject(t,function(t){return c.mapObject(t,function(t){return t.serialize()})})}),childLayerIds:this.childLayers.map(function(t){return t.id})}},n.prototype.createFilter=function(){this.filter||(this.filter=l(this.layer.filter))};var d={lastIntegerZoom:1/0,lastIntegerZoomTime:0,lastZoom:0};n.prototype.recalculateStyleLayers=function(){for(var t=0;t<this.childLayers.length;t++)this.childLayers[t].recalculate(this.zoom,d)},n.prototype.getProgramMacros=function(t,e){for(var r=[],n=this.paintAttributes[t][e.id].attributes,i=0;i<n.length;i++){var o=n[i];r.push(\"ATTRIBUTE_\"+(o.isFunction?\"ZOOM_FUNCTION_\":\"\")+o.name.toUpperCase())}return r},n.prototype.addPaintAttributes=function(t,e,r,n,i){for(var o=0;o<this.childLayers.length;o++)for(var a=this.childLayers[o],s=this.arrayGroups[t],l=n.index;l<s.length;l++){var u=s[l],c=u.layout.vertex.length,h=u.paint[a.id];h.resize(c);for(var f=this.paintAttributes[t][a.id].attributes,d=0;d<f.length;d++)for(var p=f[d],v=p.getValue(a,e,r),m=p.multiplier||1,g=p.components||1,y=i;c>y;y++)for(var b=h.get(y),x=0;g>x;x++){var _=g>1?p.name+x:p.name;b[_]=v[x]*m}}}},{\"../render/vertex_array_object\":273,\"../util/struct_array\":347,\"../util/util\":349,\"./bucket/circle_bucket\":248,\"./bucket/fill_bucket\":249,\"./bucket/line_bucket\":250,\"./bucket/symbol_bucket\":251,\"./buffer\":252,\"feature-filter\":352}],248:[function(t,e,r){\"use strict\";function n(){i.apply(this,arguments)}var i=t(\"../bucket\"),o=t(\"../../util/util\"),a=t(\"../load_geometry\"),s=i.EXTENT;e.exports=n,n.prototype=o.inherit(i,{}),n.prototype.addCircleVertex=function(t,e,r,n,i){return t.emplaceBack(2*e+(n+1)/2,2*r+(i+1)/2)},n.prototype.programInterfaces={circle:{vertexBuffer:!0,elementBuffer:!0,layoutAttributes:[{name:\"a_pos\",components:2,type:\"Int16\"}],paintAttributes:[{name:\"a_color\",components:4,type:\"Uint8\",getValue:function(t,e,r){return o.premultiply(t.getPaintValue(\"circle-color\",e,r))},multiplier:255,paintProperty:\"circle-color\"},{name:\"a_radius\",components:1,type:\"Uint16\",isLayerConstant:!1,getValue:function(t,e,r){return[t.getPaintValue(\"circle-radius\",e,r)]},multiplier:10,paintProperty:\"circle-radius\"}]}},n.prototype.addFeature=function(t){for(var e={zoom:this.zoom},r=a(t),n=this.makeRoomFor(\"circle\",0),i=n.layout.vertex.length,o=0;o<r.length;o++)for(var l=0;l<r[o].length;l++){var u=r[o][l].x,c=r[o][l].y;if(!(0>u||u>=s||0>c||c>=s)){var h=this.makeRoomFor(\"circle\",4),f=h.layout.vertex,d=this.addCircleVertex(f,u,c,-1,-1);this.addCircleVertex(f,u,c,1,-1),this.addCircleVertex(f,u,c,1,1),this.addCircleVertex(f,u,c,-1,1),h.layout.element.emplaceBack(d,d+1,d+2),h.layout.element.emplaceBack(d,d+3,d+2)}}this.addPaintAttributes(\"circle\",e,t.properties,n,i)}},{\"../../util/util\":349,\"../bucket\":247,\"../load_geometry\":254}],249:[function(t,e,r){\"use strict\";function n(){i.apply(this,arguments)}var i=t(\"../bucket\"),o=t(\"../../util/util\"),a=t(\"../load_geometry\");e.exports=n,n.prototype=o.inherit(i,{}),n.prototype.programInterfaces={fill:{vertexBuffer:!0,elementBuffer:!0,elementBuffer2:!0,elementBuffer2Components:2,layoutAttributes:[{name:\"a_pos\",components:2,type:\"Int16\"}]}},n.prototype.addFeature=function(t){for(var e=a(t),r=0;r<e.length;r++)this.addFill(e[r])},n.prototype.addFill=function(t){if(!(t.length<3))for(var e,r,n=t.length,i=this.makeRoomFor(\"fill\",n+1),o=0;o<t.length;o++){var a=t[o],s=i.layout.vertex.emplaceBack(a.x,a.y);0===o&&(e=s),o>=2&&(a.x!==t[0].x||a.y!==t[0].y)&&i.layout.element.emplaceBack(e,r,s),o>=1&&i.layout.element2.emplaceBack(r,s),r=s}}},{\"../../util/util\":349,\"../bucket\":247,\"../load_geometry\":254}],250:[function(t,e,r){\"use strict\";function n(){i.apply(this,arguments)}var i=t(\"../bucket\"),o=t(\"../../util/util\"),a=t(\"../load_geometry\"),s=i.EXTENT,l=63,u=Math.cos(37.5*(Math.PI/180)),c=15,h=14,f=.5,d=Math.pow(2,h)/f;e.exports=n,n.prototype=o.inherit(i,{}),n.prototype.addLineVertex=function(t,e,r,n,i,o,a){return t.emplaceBack(e.x<<1|n,e.y<<1|i,Math.round(l*r.x)+128,Math.round(l*r.y)+128,(0===o?0:0>o?-1:1)+1|(a*f&63)<<2,a*f>>6)},n.prototype.programInterfaces={line:{vertexBuffer:!0,elementBuffer:!0,layoutAttributes:[{name:\"a_pos\",components:2,type:\"Int16\"},{name:\"a_data\",components:4,type:\"Uint8\"}]}},n.prototype.addFeature=function(t){for(var e=a(t),r=0;r<e.length;r++)this.addLine(e[r],this.layer.layout[\"line-join\"],this.layer.layout[\"line-cap\"],this.layer.layout[\"line-miter-limit\"],this.layer.layout[\"line-round-limit\"])},n.prototype.addLine=function(t,e,r,n,i){for(var o=t.length;o>2&&t[o-1].equals(t[o-2]);)o--;if(!(t.length<2)){\"bevel\"===e&&(n=1.05);var a=c*(s/(512*this.overscaling)),l=t[0],h=t[o-1],f=l.equals(h);if(this.makeRoomFor(\"line\",10*o),2!==o||!f){this.distance=0;var d,p,v,m,g,y,b,x=r,_=f?\"butt\":r,w=!0;this.e1=this.e2=this.e3=-1,f&&(d=t[o-2],g=l.sub(d)._unit()._perp());for(var M=0;o>M;M++)if(v=f&&M===o-1?t[1]:t[M+1],!v||!t[M].equals(v)){g&&(m=g),d&&(p=d),d=t[M],g=v?v.sub(d)._unit()._perp():m,m=m||g;var k=m.add(g)._unit(),A=k.x*g.x+k.y*g.y,T=1/A,E=u>A&&p&&v;if(E&&M>0){var S=d.dist(p);if(S>2*a){var L=d.sub(d.sub(p)._mult(a/S)._round());this.distance+=L.dist(p),this.addCurrentVertex(L,this.distance,m.mult(1),0,0,!1),p=L}}var z=p&&v,I=z?e:v?x:_;if(z&&\"round\"===I&&(i>T?I=\"miter\":2>=T&&(I=\"fakeround\")),\"miter\"===I&&T>n&&(I=\"bevel\"),\"bevel\"===I&&(T>2&&(I=\"flipbevel\"),n>T&&(I=\"miter\")),p&&(this.distance+=d.dist(p)),\"miter\"===I)k._mult(T),this.addCurrentVertex(d,this.distance,k,0,0,!1);else if(\"flipbevel\"===I){if(T>100)k=g.clone();else{var P=m.x*g.y-m.y*g.x>0?-1:1,C=T*m.add(g).mag()/m.sub(g).mag();k._perp()._mult(C*P)}this.addCurrentVertex(d,this.distance,k,0,0,!1),this.addCurrentVertex(d,this.distance,k.mult(-1),0,0,!1)}else if(\"bevel\"===I||\"fakeround\"===I){var R=m.x*g.y-m.y*g.x>0,D=-Math.sqrt(T*T-1);if(R?(b=0,y=D):(y=0,b=D),w||this.addCurrentVertex(d,this.distance,m,y,b,!1),\"fakeround\"===I){for(var O,F=Math.floor(8*(.5-(A-.5))),j=0;F>j;j++)O=g.mult((j+1)/(F+1))._add(m)._unit(),this.addPieSliceVertex(d,this.distance,O,R);this.addPieSliceVertex(d,this.distance,k,R);for(var N=F-1;N>=0;N--)O=m.mult((N+1)/(F+1))._add(g)._unit(),this.addPieSliceVertex(d,this.distance,O,R)}v&&this.addCurrentVertex(d,this.distance,g,-y,-b,!1)}else\"butt\"===I?(w||this.addCurrentVertex(d,this.distance,m,0,0,!1),v&&this.addCurrentVertex(d,this.distance,g,0,0,!1)):\"square\"===I?(w||(this.addCurrentVertex(d,this.distance,m,1,1,!1),this.e1=this.e2=-1),v&&this.addCurrentVertex(d,this.distance,g,-1,-1,!1)):\"round\"===I&&(w||(this.addCurrentVertex(d,this.distance,m,0,0,!1),this.addCurrentVertex(d,this.distance,m,1,1,!0),this.e1=this.e2=-1),v&&(this.addCurrentVertex(d,this.distance,g,-1,-1,!0),this.addCurrentVertex(d,this.distance,g,0,0,!1)));if(E&&o-1>M){var B=d.dist(v);if(B>2*a){var U=d.add(v.sub(d)._mult(a/B)._round());this.distance+=U.dist(d),this.addCurrentVertex(U,this.distance,g.mult(1),0,0,!1),d=U}}w=!1}}}},n.prototype.addCurrentVertex=function(t,e,r,n,i,o){var a,s=o?1:0,l=this.arrayGroups.line[this.arrayGroups.line.length-1].layout,u=l.vertex,c=l.element;a=r.clone(),n&&a._sub(r.perp()._mult(n)),this.e3=this.addLineVertex(u,t,a,s,0,n,e),this.e1>=0&&this.e2>=0&&c.emplaceBack(this.e1,this.e2,this.e3),this.e1=this.e2,this.e2=this.e3,a=r.mult(-1),i&&a._sub(r.perp()._mult(i)),this.e3=this.addLineVertex(u,t,a,s,1,-i,e),this.e1>=0&&this.e2>=0&&c.emplaceBack(this.e1,this.e2,this.e3),this.e1=this.e2,this.e2=this.e3,e>d/2&&(this.distance=0,this.addCurrentVertex(t,this.distance,r,n,i,o))},n.prototype.addPieSliceVertex=function(t,e,r,n){var i=n?1:0;r=r.mult(n?-1:1);var o=this.arrayGroups.line[this.arrayGroups.line.length-1].layout,a=o.vertex,s=o.element;this.e3=this.addLineVertex(a,t,r,0,i,0,e),this.e1>=0&&this.e2>=0&&s.emplaceBack(this.e1,this.e2,this.e3),n?this.e2=this.e3:this.e1=this.e3}},{\"../../util/util\":349,\"../bucket\":247,\"../load_geometry\":254}],251:[function(t,e,r){\"use strict\";function n(t){s.apply(this,arguments),this.showCollisionBoxes=t.showCollisionBoxes,this.overscaling=t.overscaling,this.collisionBoxArray=t.collisionBoxArray,this.sdfIcons=t.sdfIcons,this.iconsNeedLinear=t.iconsNeedLinear,this.adjustedTextSize=t.adjustedTextSize,this.adjustedIconSize=t.adjustedIconSize,this.fontstack=t.fontstack}function i(t,e,r,n,i,o,a,s,l,u){return t.emplaceBack(e,r,Math.round(64*n),Math.round(64*i),o/4,a/4,10*(u||0),0,10*(s||0),10*Math.min(l||25,25))}function o(t,e,r,n,i,o,a,s,l,u,c,h,f,d,p,v,m){this.x=t.x,this.y=t.y,this.index=a,this.hasText=!!r,this.hasIcon=!!n,this.hasText&&(this.glyphQuads=o?_(t,r,h,e,i,d):[],this.textCollisionFeature=new y(s,e,t,l,u,c,r,h,f,d,!1)),this.hasIcon&&(this.iconQuads=o?w(t,n,p,e,i,m):[],this.iconCollisionFeature=new y(s,e,t,l,u,c,n,p,v,m,!0))}var a=t(\"point-geometry\"),s=t(\"../bucket\"),l=t(\"../../symbol/anchor\"),u=t(\"../../symbol/get_anchors\"),c=t(\"../../util/token\"),h=t(\"../../symbol/quads\"),f=t(\"../../symbol/shaping\"),d=t(\"../../symbol/resolve_text\"),p=t(\"../../symbol/mergelines\"),v=t(\"../../symbol/clip_line\"),m=t(\"../../util/util\"),g=t(\"../load_geometry\"),y=t(\"../../symbol/collision_feature\"),b=f.shapeText,x=f.shapeIcon,_=h.getGlyphQuads,w=h.getIconQuads,M=s.EXTENT;e.exports=n,n.prototype=m.inherit(s,{}),n.prototype.serialize=function(){var t=s.prototype.serialize.apply(this);return t.sdfIcons=this.sdfIcons,t.iconsNeedLinear=this.iconsNeedLinear,t.adjustedTextSize=this.adjustedTextSize,t.adjustedIconSize=this.adjustedIconSize,t.fontstack=this.fontstack,t};var k=[{name:\"a_pos\",components:2,type:\"Int16\"},{name:\"a_offset\",components:2,type:\"Int16\"},{name:\"a_data1\",components:4,type:\"Uint8\"},{name:\"a_data2\",components:2,type:\"Uint8\"}];n.prototype.addCollisionBoxVertex=function(t,e,r,n,i){return t.emplaceBack(e.x,e.y,Math.round(r.x),Math.round(r.y),10*n,10*i)},n.prototype.programInterfaces={glyph:{vertexBuffer:!0,elementBuffer:!0,layoutAttributes:k},icon:{vertexBuffer:!0,elementBuffer:!0,layoutAttributes:k},collisionBox:{vertexBuffer:!0,layoutAttributes:[{name:\"a_pos\",components:2,type:\"Int16\"},{name:\"a_extrude\",components:2,type:\"Int16\"},{name:\"a_data\",components:2,type:\"Uint8\"}]}},n.prototype.populateBuffers=function(t,e,r){var n={lastIntegerZoom:1/0,lastIntegerZoomTime:0,lastZoom:0};this.adjustedTextMaxSize=this.layer.getLayoutValue(\"text-size\",{zoom:18,zoomHistory:n}),this.adjustedTextSize=this.layer.getLayoutValue(\"text-size\",{zoom:this.zoom+1,zoomHistory:n}),this.adjustedIconMaxSize=this.layer.getLayoutValue(\"icon-size\",{zoom:18,zoomHistory:n}),this.adjustedIconSize=this.layer.getLayoutValue(\"icon-size\",{zoom:this.zoom+1,zoomHistory:n});var i=512*this.overscaling;this.tilePixelRatio=M/i,this.compareText={},this.symbolInstances=[],this.iconsNeedLinear=!1;var o=this.layer.layout,a=this.features,s=this.textFeatures,l=.5,u=.5;switch(o[\"text-anchor\"]){case\"right\":case\"top-right\":case\"bottom-right\":l=1;break;case\"left\":case\"top-left\":case\"bottom-left\":l=0}switch(o[\"text-anchor\"]){case\"bottom\":case\"bottom-right\":case\"bottom-left\":u=1;break;case\"top\":case\"top-right\":case\"top-left\":u=0}for(var h=\"right\"===o[\"text-justify\"]?1:\"left\"===o[\"text-justify\"]?0:.5,f=24,d=o[\"text-line-height\"]*f,v=\"line\"!==o[\"symbol-placement\"]?o[\"text-max-width\"]*f:0,m=o[\"text-letter-spacing\"]*f,y=[o[\"text-offset\"][0]*f,o[\"text-offset\"][1]*f],_=this.fontstack=o[\"text-font\"].join(\",\"),w=[],k=0;k<a.length;k++)w.push(g(a[k]));if(\"line\"===o[\"symbol-placement\"]){var A=p(a,s,w);w=A.geometries,a=A.features,s=A.textFeatures}for(var T,E,S=0;S<a.length;S++)if(w[S]){if(T=s[S]?b(s[S],e[_],v,d,l,u,h,m,y):null,o[\"icon-image\"]){var L=c(a[S].properties,o[\"icon-image\"]),z=r[L];E=x(z,o),z&&(void 0===this.sdfIcons?this.sdfIcons=z.sdf:this.sdfIcons!==z.sdf&&console.warn(\"Style sheet warning: Cannot mix SDF and non-SDF icons in one buffer\"),1!==z.pixelRatio&&(this.iconsNeedLinear=!0))}else E=null;(T||E)&&this.addFeature(w[S],T,E,a[S].index)}this.placeFeatures(t,this.showCollisionBoxes),this.trimArrays()},n.prototype.addFeature=function(t,e,r,n){var i=this.layer.layout,a=24,s=this.adjustedTextSize/a,c=void 0!==this.adjustedTextMaxSize?this.adjustedTextMaxSize:this.adjustedTextSize,h=this.tilePixelRatio*s,f=this.tilePixelRatio*c/a,d=this.tilePixelRatio*this.adjustedIconSize,p=this.tilePixelRatio*i[\"symbol-spacing\"],m=i[\"symbol-avoid-edges\"],g=i[\"text-padding\"]*this.tilePixelRatio,y=i[\"icon-padding\"]*this.tilePixelRatio,b=i[\"text-max-angle\"]/180*Math.PI,x=\"map\"===i[\"text-rotation-alignment\"]&&\"line\"===i[\"symbol-placement\"],_=\"map\"===i[\"icon-rotation-alignment\"]&&\"line\"===i[\"symbol-placement\"],w=i[\"text-allow-overlap\"]||i[\"icon-allow-overlap\"]||i[\"text-ignore-placement\"]||i[\"icon-ignore-placement\"],k=\"line\"===i[\"symbol-placement\"],A=p/2;k&&(t=v(t,0,0,M,M));for(var T=0;T<t.length;T++){var E,S=t[T];E=k?u(S,p,b,e,r,a,f,this.overscaling,M):[new l(S[0].x,S[0].y,0)];for(var L=0,z=E.length;z>L;L++){var I=E[L];if(!(e&&k&&this.anchorIsTooClose(e.text,A,I))){var P=!(I.x<0||I.x>M||I.y<0||I.y>M);if(!m||P){var C=P||w;this.symbolInstances.push(new o(I,S,e,r,i,C,this.symbolInstances.length,this.collisionBoxArray,n,this.sourceLayerIndex,this.index,h,g,x,d,y,_))}}}}},n.prototype.anchorIsTooClose=function(t,e,r){var n=this.compareText;if(t in n){for(var i=n[t],o=i.length-1;o>=0;o--)if(r.dist(i[o])<e)return!0}else n[t]=[];return n[t].push(r),!1},n.prototype.placeFeatures=function(t,e){this.recalculateStyleLayers(),this.createArrays();var r=this.layer.layout,n=t.maxScale,i=\"map\"===r[\"text-rotation-alignment\"]&&\"line\"===r[\"symbol-placement\"],o=\"map\"===r[\"icon-rotation-alignment\"]&&\"line\"===r[\"symbol-placement\"],a=r[\"text-allow-overlap\"]||r[\"icon-allow-overlap\"]||r[\"text-ignore-placement\"]||r[\"icon-ignore-placement\"];if(a){var s=t.angle,l=Math.sin(s),u=Math.cos(s);this.symbolInstances.sort(function(t,e){var r=l*t.x+u*t.y|0,n=l*e.x+u*e.y|0;return r-n||e.index-t.index})}for(var c=0;c<this.symbolInstances.length;c++){var h=this.symbolInstances[c],f=h.hasText,d=h.hasIcon,p=r[\"text-optional\"]||!f,v=r[\"icon-optional\"]||!d,m=f?t.placeCollisionFeature(h.textCollisionFeature,r[\"text-allow-overlap\"],r[\"symbol-avoid-edges\"]):t.minScale,g=d?t.placeCollisionFeature(h.iconCollisionFeature,r[\"icon-allow-overlap\"],r[\"symbol-avoid-edges\"]):t.minScale;p||v?!v&&m?m=Math.max(g,m):!p&&g&&(g=Math.max(g,m)):g=m=Math.max(g,m),f&&(t.insertCollisionFeature(h.textCollisionFeature,m,r[\"text-ignore-placement\"]),n>=m&&this.addSymbols(\"glyph\",h.glyphQuads,m,r[\"text-keep-upright\"],i,t.angle)),d&&(t.insertCollisionFeature(h.iconCollisionFeature,g,r[\"icon-ignore-placement\"]),n>=g&&this.addSymbols(\"icon\",h.iconQuads,g,r[\"icon-keep-upright\"],o,t.angle))}e&&this.addToDebugBuffers(t)},n.prototype.addSymbols=function(t,e,r,n,o,a){for(var s=this.makeRoomFor(t,4*e.length),l=s.layout.element,u=s.layout.vertex,c=this.zoom,h=Math.max(Math.log(r)/Math.LN2+c,0),f=0;f<e.length;f++){var d=e[f],p=d.angle,v=(p+a+Math.PI)%(2*Math.PI);if(!(n&&o&&(v<=Math.PI/2||v>3*Math.PI/2))){var m=d.tl,g=d.tr,y=d.bl,b=d.br,x=d.tex,_=d.anchorPoint,w=Math.max(c+Math.log(d.minScale)/Math.LN2,h),M=Math.min(c+Math.log(d.maxScale)/Math.LN2,25);if(!(w>=M)){w===h&&(w=0);var k=i(u,_.x,_.y,m.x,m.y,x.x,x.y,w,M,h);i(u,_.x,_.y,g.x,g.y,x.x+x.w,x.y,w,M,h),i(u,_.x,_.y,y.x,y.y,x.x,x.y+x.h,w,M,h),i(u,_.x,_.y,b.x,b.y,x.x+x.w,x.y+x.h,w,M,h),l.emplaceBack(k,k+1,k+2),l.emplaceBack(k+1,k+2,k+3)}}}},n.prototype.updateIcons=function(t){this.recalculateStyleLayers();var e=this.layer.layout[\"icon-image\"];if(e)for(var r=0;r<this.features.length;r++){var n=c(this.features[r].properties,e);n&&(t[n]=!0)}},n.prototype.updateFont=function(t){this.recalculateStyleLayers();var e=this.layer.layout[\"text-font\"],r=t[e]=t[e]||{};this.textFeatures=d(this.features,this.layer.layout,r)},n.prototype.addToDebugBuffers=function(t){for(var e=this.makeRoomFor(\"collisionBox\",0),r=e.layout.vertex,n=-t.angle,i=t.yStretch,o=0;o<this.symbolInstances.length;o++)for(var s=0;2>s;s++){var l=this.symbolInstances[o][0===s?\"textCollisionFeature\":\"iconCollisionFeature\"];if(l)for(var u=l.boxStartIndex;u<l.boxEndIndex;u++){var c=this.collisionBoxArray.get(u),h=c.anchorPoint,f=new a(c.x1,c.y1*i)._rotate(n),d=new a(c.x2,c.y1*i)._rotate(n),p=new a(c.x1,c.y2*i)._rotate(n),v=new a(c.x2,c.y2*i)._rotate(n),m=Math.max(0,Math.min(25,this.zoom+Math.log(c.maxScale)/Math.LN2)),g=Math.max(0,Math.min(25,this.zoom+Math.log(c.placementScale)/Math.LN2));this.addCollisionBoxVertex(r,h,f,m,g),this.addCollisionBoxVertex(r,h,d,m,g),this.addCollisionBoxVertex(r,h,d,m,g),this.addCollisionBoxVertex(r,h,v,m,g),this.addCollisionBoxVertex(r,h,v,m,g),this.addCollisionBoxVertex(r,h,p,m,g),this.addCollisionBoxVertex(r,h,p,m,g),this.addCollisionBoxVertex(r,h,f,m,g)}}}},{\"../../symbol/anchor\":303,\"../../symbol/clip_line\":305,\"../../symbol/collision_feature\":307,\"../../symbol/get_anchors\":309,\n\"../../symbol/mergelines\":312,\"../../symbol/quads\":313,\"../../symbol/resolve_text\":314,\"../../symbol/shaping\":315,\"../../util/token\":348,\"../../util/util\":349,\"../bucket\":247,\"../load_geometry\":254,\"point-geometry\":404}],252:[function(t,e,r){\"use strict\";function n(t,e,r){this.arrayBuffer=t.arrayBuffer,this.length=t.length,this.attributes=e.members,this.itemSize=e.bytesPerElement,this.type=r,this.arrayType=e}var i=t(\"assert\");e.exports=n,n.prototype.bind=function(t){var e=t[this.type];this.buffer?t.bindBuffer(e,this.buffer):(this.buffer=t.createBuffer(),t.bindBuffer(e,this.buffer),t.bufferData(e,this.arrayBuffer,t.STATIC_DRAW),this.arrayBuffer=null)};var o={Int8:\"BYTE\",Uint8:\"UNSIGNED_BYTE\",Int16:\"SHORT\",Uint16:\"UNSIGNED_SHORT\"};n.prototype.setVertexAttribPointers=function(t,e){for(var r=0;r<this.attributes.length;r++){var n=this.attributes[r],a=e[n.name];i(void 0!==a,'array member \"'+n.name+'\" name does not match shader attribute name'),t.vertexAttribPointer(a,n.components,t[o[n.type]],!1,this.arrayType.bytesPerElement,n.offset)}},n.prototype.destroy=function(t){this.buffer&&t.deleteBuffer(this.buffer)},n.BufferType={VERTEX:\"ARRAY_BUFFER\",ELEMENT:\"ELEMENT_ARRAY_BUFFER\"},n.ELEMENT_ATTRIBUTE_TYPE=\"Uint16\",n.VERTEX_ATTRIBUTE_ALIGNMENT=4},{assert:52}],253:[function(t,e,r){\"use strict\";function n(t,e,r){if(t.grid){var n=t,i=e;t=n.coord,e=n.overscaling,this.grid=new p(n.grid),this.featureIndexArray=new k(n.featureIndexArray),this.rawTileData=i,this.bucketLayerIDs=n.bucketLayerIDs}else this.grid=new p(h,16,0),this.featureIndexArray=new k;this.coord=t,this.overscaling=e,this.x=t.x,this.y=t.y,this.z=t.z-Math.log(e)/Math.LN2,this.setCollisionTile(r)}function i(t){return Math.sqrt(t[0]*t[0]+t[1]*t[1])}function o(t,e){return e-t}function a(t){return t[\"line-gap-width\"]>0?t[\"line-gap-width\"]+2*t[\"line-width\"]:t[\"line-width\"]}function s(t,e,r,n,i){if(!e[0]&&!e[1])return t;e=u.convert(e),\"viewport\"===r&&e._rotate(-n);for(var o=[],a=0;a<t.length;a++){for(var s=t[a],l=[],c=0;c<s.length;c++)l.push(s[c].sub(e._mult(i)));o.push(l)}return o}function l(t,e){for(var r=[],n=new u(0,0),i=0;i<t.length;i++){for(var o=t[i],a=[],s=0;s<o.length;s++){var l=o[s-1],c=o[s],h=o[s+1],f=0===s?n:c.sub(l)._unit()._perp(),d=s===o.length-1?n:h.sub(c)._unit()._perp(),p=f._add(d)._unit(),v=p.x*d.x+p.y*d.y;p._mult(1/v),a.push(p._mult(e)._add(c))}r.push(a)}return r}var u=t(\"point-geometry\"),c=t(\"./load_geometry\"),h=t(\"./bucket\").EXTENT,f=t(\"feature-filter\"),d=t(\"../util/struct_array\"),p=t(\"grid-index\"),v=t(\"../util/dictionary_coder\"),m=t(\"vector-tile\"),g=t(\"pbf\"),y=t(\"../util/vectortile_to_geojson\"),b=t(\"../util/util\").arraysIntersect,x=t(\"../util/intersection_tests\"),_=x.multiPolygonIntersectsBufferedMultiPoint,w=x.multiPolygonIntersectsMultiPolygon,M=x.multiPolygonIntersectsBufferedMultiLine,k=new d({members:[{type:\"Uint32\",name:\"featureIndex\"},{type:\"Uint16\",name:\"sourceLayerIndex\"},{type:\"Uint16\",name:\"bucketIndex\"}]});e.exports=n,n.prototype.insert=function(t,e,r,n){var i=this.featureIndexArray.length;this.featureIndexArray.emplaceBack(e,r,n);for(var o=c(t),a=0;a<o.length;a++){for(var s=o[a],l=[1/0,1/0,-(1/0),-(1/0)],u=0;u<s.length;u++){var h=s[u];l[0]=Math.min(l[0],h.x),l[1]=Math.min(l[1],h.y),l[2]=Math.max(l[2],h.x),l[3]=Math.max(l[3],h.y)}this.grid.insert(i,l[0],l[1],l[2],l[3])}},n.prototype.setCollisionTile=function(t){this.collisionTile=t},n.prototype.serialize=function(){var t={coord:this.coord,overscaling:this.overscaling,grid:this.grid.toArrayBuffer(),featureIndexArray:this.featureIndexArray.serialize(),bucketLayerIDs:this.bucketLayerIDs};return{data:t,transferables:[t.grid,t.featureIndexArray.arrayBuffer]}},n.prototype.query=function(t,e){this.vtLayers||(this.vtLayers=new m.VectorTile(new g(new Uint8Array(this.rawTileData))).layers,this.sourceLayerCoder=new v(this.vtLayers?Object.keys(this.vtLayers).sort():[\"_geojsonTileLayer\"]));var r={},n=t.params||{},s=h/t.tileSize/t.scale,l=f(n.filter),c=0;for(var d in e){var p=e[d],y=p.paint,b=0;\"line\"===p.type?b=a(y)/2+Math.abs(y[\"line-offset\"])+i(y[\"line-translate\"]):\"fill\"===p.type?b=i(y[\"fill-translate\"]):\"circle\"===p.type&&(b=y[\"circle-radius\"]+i(y[\"circle-translate\"])),c=Math.max(c,b*s)}for(var x=t.queryGeometry.map(function(t){return t.map(function(t){return new u(t.x,t.y)})}),_=1/0,w=1/0,M=-(1/0),k=-(1/0),A=0;A<x.length;A++)for(var T=x[A],E=0;E<T.length;E++){var S=T[E];_=Math.min(_,S.x),w=Math.min(w,S.y),M=Math.max(M,S.x),k=Math.max(k,S.y)}var L=this.grid.query(_-c,w-c,M+c,k+c);L.sort(o),this.filterMatching(r,L,this.featureIndexArray,x,l,n.layers,e,t.bearing,s);var z=this.collisionTile.queryRenderedSymbols(_,w,M,k,t.scale);return z.sort(),this.filterMatching(r,z,this.collisionTile.collisionBoxArray,x,l,n.layers,e,t.bearing,s),r},n.prototype.filterMatching=function(t,e,r,n,i,o,u,h,f){for(var d,p=0;p<e.length;p++){var v=e[p];if(v!==d){d=v;var m=r.get(v),g=this.bucketLayerIDs[m.bucketIndex];if(!o||b(o,g)){var x=this.sourceLayerCoder.decode(m.sourceLayerIndex),k=this.vtLayers[x],A=k.feature(m.featureIndex);if(i(A))for(var T=null,E=0;E<g.length;E++){var S=g[E];if(!(o&&o.indexOf(S)<0)){var L=u[S];if(L){var z;if(\"symbol\"!==L.type){T||(T=c(A));var I=L.paint;if(\"line\"===L.type){z=s(n,I[\"line-translate\"],I[\"line-translate-anchor\"],h,f);var P=a(I)/2*f;if(I[\"line-offset\"]&&(T=l(T,I[\"line-offset\"]*f)),!M(z,T,P))continue}else if(\"fill\"===L.type){if(z=s(n,I[\"fill-translate\"],I[\"fill-translate-anchor\"],h,f),!w(z,T))continue}else if(\"circle\"===L.type){z=s(n,I[\"circle-translate\"],I[\"circle-translate-anchor\"],h,f);var C=I[\"circle-radius\"]*f;if(!_(z,T,C))continue}}var R=new y(A,this.z,this.x,this.y);R.layer=L.serialize({includeRefProperties:!0});var D=t[S];void 0===D&&(D=t[S]=[]),D.push(R)}}}}}}}},{\"../util/dictionary_coder\":340,\"../util/intersection_tests\":344,\"../util/struct_array\":347,\"../util/util\":349,\"../util/vectortile_to_geojson\":350,\"./bucket\":247,\"./load_geometry\":254,\"feature-filter\":352,\"grid-index\":373,pbf:402,\"point-geometry\":404,\"vector-tile\":413}],254:[function(t,e,r){\"use strict\";var n=t(\"./bucket\").EXTENT,i=-2*n,o=2*n-1,a=!1;e.exports=function(t){for(var e=n/t.extent,r=t.loadGeometry(),s=0;s<r.length;s++)for(var l=r[s],u=0;u<l.length;u++){var c=l[u];c.x=Math.round(c.x*e),c.y=Math.round(c.y*e),a===!1&&(c.x<i||c.x>o||c.y<i||c.y>o)&&(console.warn(\"Geometry exceeds allowed extent, reduce your vector tile buffer size\"),a=!0)}return r}},{\"./bucket\":247}],255:[function(t,e,r){\"use strict\";function n(t,e,r){this.column=t,this.row=e,this.zoom=r}e.exports=n,n.prototype={clone:function(){return new n(this.column,this.row,this.zoom)},zoomTo:function(t){return this.clone()._zoomTo(t)},sub:function(t){return this.clone()._sub(t)},_zoomTo:function(t){var e=Math.pow(2,t-this.zoom);return this.column*=e,this.row*=e,this.zoom=t,this},_sub:function(t){return t=t.zoomTo(this.zoom),this.column-=t.column,this.row-=t.row,this}}},{}],256:[function(t,e,r){\"use strict\";function n(t,e){if(isNaN(t)||isNaN(e))throw new Error(\"Invalid LngLat object: (\"+t+\", \"+e+\")\");if(this.lng=+t,this.lat=+e,this.lat>90||this.lat<-90)throw new Error(\"Invalid LngLat latitude value: must be between -90 and 90\")}e.exports=n;var i=t(\"../util/util\").wrap;n.prototype.wrap=function(){return new n(i(this.lng,-180,180),this.lat)},n.prototype.toArray=function(){return[this.lng,this.lat]},n.prototype.toString=function(){return\"LngLat(\"+this.lng+\", \"+this.lat+\")\"},n.convert=function(t){return t instanceof n?t:Array.isArray(t)?new n(t[0],t[1]):t}},{\"../util/util\":349}],257:[function(t,e,r){\"use strict\";function n(t,e){t&&(e?this.extend(t).extend(e):4===t.length?this.extend([t[0],t[1]]).extend([t[2],t[3]]):this.extend(t[0]).extend(t[1]))}e.exports=n;var i=t(\"./lng_lat\");n.prototype={extend:function(t){var e,r,o=this._sw,a=this._ne;if(t instanceof i)e=t,r=t;else{if(!(t instanceof n))return t?this.extend(i.convert(t)||n.convert(t)):this;if(e=t._sw,r=t._ne,!e||!r)return this}return o||a?(o.lng=Math.min(e.lng,o.lng),o.lat=Math.min(e.lat,o.lat),a.lng=Math.max(r.lng,a.lng),a.lat=Math.max(r.lat,a.lat)):(this._sw=new i(e.lng,e.lat),this._ne=new i(r.lng,r.lat)),this},getCenter:function(){return new i((this._sw.lng+this._ne.lng)/2,(this._sw.lat+this._ne.lat)/2)},getSouthWest:function(){return this._sw},getNorthEast:function(){return this._ne},getNorthWest:function(){return new i(this.getWest(),this.getNorth())},getSouthEast:function(){return new i(this.getEast(),this.getSouth())},getWest:function(){return this._sw.lng},getSouth:function(){return this._sw.lat},getEast:function(){return this._ne.lng},getNorth:function(){return this._ne.lat},toArray:function(){return[this._sw.toArray(),this._ne.toArray()]},toString:function(){return\"LngLatBounds(\"+this._sw.toString()+\", \"+this._ne.toString()+\")\"}},n.convert=function(t){return!t||t instanceof n?t:new n(t)}},{\"./lng_lat\":256}],258:[function(t,e,r){\"use strict\";function n(t,e){this.tileSize=512,this._minZoom=t||0,this._maxZoom=e||22,this.latRange=[-85.05113,85.05113],this.width=0,this.height=0,this._center=new i(0,0),this.zoom=0,this.angle=0,this._altitude=1.5,this._pitch=0,this._unmodified=!0}var i=t(\"./lng_lat\"),o=t(\"point-geometry\"),a=t(\"./coordinate\"),s=t(\"../util/util\").wrap,l=t(\"../util/interpolate\"),u=t(\"../source/tile_coord\"),c=t(\"../data/bucket\").EXTENT,h=t(\"gl-matrix\"),f=h.vec4,d=h.mat4,p=h.mat2;e.exports=n,n.prototype={get minZoom(){return this._minZoom},set minZoom(t){this._minZoom!==t&&(this._minZoom=t,this.zoom=Math.max(this.zoom,t))},get maxZoom(){return this._maxZoom},set maxZoom(t){this._maxZoom!==t&&(this._maxZoom=t,this.zoom=Math.min(this.zoom,t))},get worldSize(){return this.tileSize*this.scale},get centerPoint(){return this.size._div(2)},get size(){return new o(this.width,this.height)},get bearing(){return-this.angle/Math.PI*180},set bearing(t){var e=-s(t,-180,180)*Math.PI/180;this.angle!==e&&(this._unmodified=!1,this.angle=e,this._calcProjMatrix(),this.rotationMatrix=p.create(),p.rotate(this.rotationMatrix,this.rotationMatrix,this.angle))},get pitch(){return this._pitch/Math.PI*180},set pitch(t){var e=Math.min(60,t)/180*Math.PI;this._pitch!==e&&(this._unmodified=!1,this._pitch=e,this._calcProjMatrix())},get altitude(){return this._altitude},set altitude(t){var e=Math.max(.75,t);this._altitude!==e&&(this._unmodified=!1,this._altitude=e,this._calcProjMatrix())},get zoom(){return this._zoom},set zoom(t){var e=Math.min(Math.max(t,this.minZoom),this.maxZoom);this._zoom!==e&&(this._unmodified=!1,this._zoom=e,this.scale=this.zoomScale(e),this.tileZoom=Math.floor(e),this.zoomFraction=e-this.tileZoom,this._calcProjMatrix(),this._constrain())},get center(){return this._center},set center(t){t.lat===this._center.lat&&t.lng===this._center.lng||(this._unmodified=!1,this._center=t,this._calcProjMatrix(),this._constrain())},resize:function(t,e){this.width=t,this.height=e,this.pixelsToGLUnits=[2/t,-2/e],this._calcProjMatrix(),this._constrain()},get unmodified(){return this._unmodified},zoomScale:function(t){return Math.pow(2,t)},scaleZoom:function(t){return Math.log(t)/Math.LN2},project:function(t,e){return new o(this.lngX(t.lng,e),this.latY(t.lat,e))},unproject:function(t,e){return new i(this.xLng(t.x,e),this.yLat(t.y,e))},get x(){return this.lngX(this.center.lng)},get y(){return this.latY(this.center.lat)},get point(){return new o(this.x,this.y)},lngX:function(t,e){return(180+t)*(e||this.worldSize)/360},latY:function(t,e){var r=180/Math.PI*Math.log(Math.tan(Math.PI/4+t*Math.PI/360));return(180-r)*(e||this.worldSize)/360},xLng:function(t,e){return 360*t/(e||this.worldSize)-180},yLat:function(t,e){var r=180-360*t/(e||this.worldSize);return 360/Math.PI*Math.atan(Math.exp(r*Math.PI/180))-90},panBy:function(t){var e=this.centerPoint._add(t);this.center=this.pointLocation(e)},setLocationAtPoint:function(t,e){var r=this.locationCoordinate(t),n=this.pointCoordinate(e),i=this.pointCoordinate(this.centerPoint),o=n._sub(r);this._unmodified=!1,this.center=this.coordinateLocation(i._sub(o))},locationPoint:function(t){return this.coordinatePoint(this.locationCoordinate(t))},pointLocation:function(t){return this.coordinateLocation(this.pointCoordinate(t))},locationCoordinate:function(t){var e=this.zoomScale(this.tileZoom)/this.worldSize,r=i.convert(t);return new a(this.lngX(r.lng)*e,this.latY(r.lat)*e,this.tileZoom)},coordinateLocation:function(t){var e=this.zoomScale(t.zoom);return new i(this.xLng(t.column,e),this.yLat(t.row,e))},pointCoordinate:function(t){var e=0,r=this.coordinatePointMatrix(this.tileZoom);if(d.invert(r,r),!r)throw new Error(\"failed to invert matrix\");var n=[t.x,t.y,0,1],i=[t.x,t.y,1,1];f.transformMat4(n,n,r),f.transformMat4(i,i,r);var o=n[3],s=i[3],u=n[0]/o,c=i[0]/s,h=n[1]/o,p=i[1]/s,v=n[2]/o,m=i[2]/s,g=v===m?0:(e-v)/(m-v);return new a(l(u,c,g),l(h,p,g),this.tileZoom)},coordinatePoint:function(t){var e=this.coordinatePointMatrix(t.zoom),r=[t.column,t.row,0,1];return f.transformMat4(r,r,e),new o(r[0]/r[3],r[1]/r[3])},coordinatePointMatrix:function(t){var e=d.copy(new Float64Array(16),this.projMatrix),r=this.worldSize/this.zoomScale(t);return d.scale(e,e,[r,r,1]),d.multiply(e,this.getPixelMatrix(),e),e},getPixelMatrix:function(){var t=d.create();return d.scale(t,t,[this.width/2,-this.height/2,1]),d.translate(t,t,[1,-1,0]),t},calculatePosMatrix:function(t,e){void 0===e&&(e=1/0),t instanceof u&&(t=t.toCoordinate(e));var r=Math.min(t.zoom,e),n=this.worldSize/Math.pow(2,r),i=new Float64Array(16);return d.identity(i),d.translate(i,i,[t.column*n,t.row*n,0]),d.scale(i,i,[n/c,n/c,1]),d.multiply(i,this.projMatrix,i),new Float32Array(i)},_constrain:function(){if(this.center&&this.width&&this.height&&!this._constraining){this._constraining=!0;var t,e,r,n,i,a,s,l,u=this.size,c=this._unmodified;this.latRange&&(t=this.latY(this.latRange[1]),e=this.latY(this.latRange[0]),i=e-t<u.y?u.y/(e-t):0),this.lngRange&&(r=this.lngX(this.lngRange[0]),n=this.lngX(this.lngRange[1]),a=n-r<u.x?u.x/(n-r):0);var h=Math.max(a||0,i||0);if(h)return this.center=this.unproject(new o(a?(n+r)/2:this.x,i?(e+t)/2:this.y)),this.zoom+=this.scaleZoom(h),this._unmodified=c,void(this._constraining=!1);if(this.latRange){var f=this.y,d=u.y/2;t>f-d&&(l=t+d),f+d>e&&(l=e-d)}if(this.lngRange){var p=this.x,v=u.x/2;r>p-v&&(s=r+v),p+v>n&&(s=n-v)}void 0===s&&void 0===l||(this.center=this.unproject(new o(void 0!==s?s:this.x,void 0!==l?l:this.y))),this._unmodified=c,this._constraining=!1}},_calcProjMatrix:function(){var t=new Float64Array(16),e=Math.atan(.5/this.altitude),r=Math.sin(e)*this.altitude/Math.sin(Math.PI/2-this._pitch-e),n=Math.cos(Math.PI/2-this._pitch)*r+this.altitude;d.perspective(t,2*Math.atan(this.height/2/this.altitude),this.width/this.height,.1,n),d.translate(t,t,[0,0,-this.altitude]),d.scale(t,t,[1,-1,1/this.height]),d.rotateX(t,t,this._pitch),d.rotateZ(t,t,this.angle),d.translate(t,t,[-this.x,-this.y,0]),this.projMatrix=t}}},{\"../data/bucket\":247,\"../source/tile_coord\":281,\"../util/interpolate\":343,\"../util/util\":349,\"./coordinate\":255,\"./lng_lat\":256,\"gl-matrix\":363,\"point-geometry\":404}],259:[function(t,e,r){\"use strict\";var n={\" \":[16,[]],\"!\":[10,[5,21,5,7,-1,-1,5,2,4,1,5,0,6,1,5,2]],'\"':[16,[4,21,4,14,-1,-1,12,21,12,14]],\"#\":[21,[11,25,4,-7,-1,-1,17,25,10,-7,-1,-1,4,12,18,12,-1,-1,3,6,17,6]],$:[20,[8,25,8,-4,-1,-1,12,25,12,-4,-1,-1,17,18,15,20,12,21,8,21,5,20,3,18,3,16,4,14,5,13,7,12,13,10,15,9,16,8,17,6,17,3,15,1,12,0,8,0,5,1,3,3]],\"%\":[24,[21,21,3,0,-1,-1,8,21,10,19,10,17,9,15,7,14,5,14,3,16,3,18,4,20,6,21,8,21,10,20,13,19,16,19,19,20,21,21,-1,-1,17,7,15,6,14,4,14,2,16,0,18,0,20,1,21,3,21,5,19,7,17,7]],\"&\":[26,[23,12,23,13,22,14,21,14,20,13,19,11,17,6,15,3,13,1,11,0,7,0,5,1,4,2,3,4,3,6,4,8,5,9,12,13,13,14,14,16,14,18,13,20,11,21,9,20,8,18,8,16,9,13,11,10,16,3,18,1,20,0,22,0,23,1,23,2]],\"'\":[10,[5,19,4,20,5,21,6,20,6,18,5,16,4,15]],\"(\":[14,[11,25,9,23,7,20,5,16,4,11,4,7,5,2,7,-2,9,-5,11,-7]],\")\":[14,[3,25,5,23,7,20,9,16,10,11,10,7,9,2,7,-2,5,-5,3,-7]],\"*\":[16,[8,21,8,9,-1,-1,3,18,13,12,-1,-1,13,18,3,12]],\"+\":[26,[13,18,13,0,-1,-1,4,9,22,9]],\",\":[10,[6,1,5,0,4,1,5,2,6,1,6,-1,5,-3,4,-4]],\"-\":[26,[4,9,22,9]],\".\":[10,[5,2,4,1,5,0,6,1,5,2]],\"/\":[22,[20,25,2,-7]],0:[20,[9,21,6,20,4,17,3,12,3,9,4,4,6,1,9,0,11,0,14,1,16,4,17,9,17,12,16,17,14,20,11,21,9,21]],1:[20,[6,17,8,18,11,21,11,0]],2:[20,[4,16,4,17,5,19,6,20,8,21,12,21,14,20,15,19,16,17,16,15,15,13,13,10,3,0,17,0]],3:[20,[5,21,16,21,10,13,13,13,15,12,16,11,17,8,17,6,16,3,14,1,11,0,8,0,5,1,4,2,3,4]],4:[20,[13,21,3,7,18,7,-1,-1,13,21,13,0]],5:[20,[15,21,5,21,4,12,5,13,8,14,11,14,14,13,16,11,17,8,17,6,16,3,14,1,11,0,8,0,5,1,4,2,3,4]],6:[20,[16,18,15,20,12,21,10,21,7,20,5,17,4,12,4,7,5,3,7,1,10,0,11,0,14,1,16,3,17,6,17,7,16,10,14,12,11,13,10,13,7,12,5,10,4,7]],7:[20,[17,21,7,0,-1,-1,3,21,17,21]],8:[20,[8,21,5,20,4,18,4,16,5,14,7,13,11,12,14,11,16,9,17,7,17,4,16,2,15,1,12,0,8,0,5,1,4,2,3,4,3,7,4,9,6,11,9,12,13,13,15,14,16,16,16,18,15,20,12,21,8,21]],9:[20,[16,14,15,11,13,9,10,8,9,8,6,9,4,11,3,14,3,15,4,18,6,20,9,21,10,21,13,20,15,18,16,14,16,9,15,4,13,1,10,0,8,0,5,1,4,3]],\":\":[10,[5,14,4,13,5,12,6,13,5,14,-1,-1,5,2,4,1,5,0,6,1,5,2]],\";\":[10,[5,14,4,13,5,12,6,13,5,14,-1,-1,6,1,5,0,4,1,5,2,6,1,6,-1,5,-3,4,-4]],\"<\":[24,[20,18,4,9,20,0]],\"=\":[26,[4,12,22,12,-1,-1,4,6,22,6]],\">\":[24,[4,18,20,9,4,0]],\"?\":[18,[3,16,3,17,4,19,5,20,7,21,11,21,13,20,14,19,15,17,15,15,14,13,13,12,9,10,9,7,-1,-1,9,2,8,1,9,0,10,1,9,2]],\"@\":[27,[18,13,17,15,15,16,12,16,10,15,9,14,8,11,8,8,9,6,11,5,14,5,16,6,17,8,-1,-1,12,16,10,14,9,11,9,8,10,6,11,5,-1,-1,18,16,17,8,17,6,19,5,21,5,23,7,24,10,24,12,23,15,22,17,20,19,18,20,15,21,12,21,9,20,7,19,5,17,4,15,3,12,3,9,4,6,5,4,7,2,9,1,12,0,15,0,18,1,20,2,21,3,-1,-1,19,16,18,8,18,6,19,5]],A:[18,[9,21,1,0,-1,-1,9,21,17,0,-1,-1,4,7,14,7]],B:[21,[4,21,4,0,-1,-1,4,21,13,21,16,20,17,19,18,17,18,15,17,13,16,12,13,11,-1,-1,4,11,13,11,16,10,17,9,18,7,18,4,17,2,16,1,13,0,4,0]],C:[21,[18,16,17,18,15,20,13,21,9,21,7,20,5,18,4,16,3,13,3,8,4,5,5,3,7,1,9,0,13,0,15,1,17,3,18,5]],D:[21,[4,21,4,0,-1,-1,4,21,11,21,14,20,16,18,17,16,18,13,18,8,17,5,16,3,14,1,11,0,4,0]],E:[19,[4,21,4,0,-1,-1,4,21,17,21,-1,-1,4,11,12,11,-1,-1,4,0,17,0]],F:[18,[4,21,4,0,-1,-1,4,21,17,21,-1,-1,4,11,12,11]],G:[21,[18,16,17,18,15,20,13,21,9,21,7,20,5,18,4,16,3,13,3,8,4,5,5,3,7,1,9,0,13,0,15,1,17,3,18,5,18,8,-1,-1,13,8,18,8]],H:[22,[4,21,4,0,-1,-1,18,21,18,0,-1,-1,4,11,18,11]],I:[8,[4,21,4,0]],J:[16,[12,21,12,5,11,2,10,1,8,0,6,0,4,1,3,2,2,5,2,7]],K:[21,[4,21,4,0,-1,-1,18,21,4,7,-1,-1,9,12,18,0]],L:[17,[4,21,4,0,-1,-1,4,0,16,0]],M:[24,[4,21,4,0,-1,-1,4,21,12,0,-1,-1,20,21,12,0,-1,-1,20,21,20,0]],N:[22,[4,21,4,0,-1,-1,4,21,18,0,-1,-1,18,21,18,0]],O:[22,[9,21,7,20,5,18,4,16,3,13,3,8,4,5,5,3,7,1,9,0,13,0,15,1,17,3,18,5,19,8,19,13,18,16,17,18,15,20,13,21,9,21]],P:[21,[4,21,4,0,-1,-1,4,21,13,21,16,20,17,19,18,17,18,14,17,12,16,11,13,10,4,10]],Q:[22,[9,21,7,20,5,18,4,16,3,13,3,8,4,5,5,3,7,1,9,0,13,0,15,1,17,3,18,5,19,8,19,13,18,16,17,18,15,20,13,21,9,21,-1,-1,12,4,18,-2]],R:[21,[4,21,4,0,-1,-1,4,21,13,21,16,20,17,19,18,17,18,15,17,13,16,12,13,11,4,11,-1,-1,11,11,18,0]],S:[20,[17,18,15,20,12,21,8,21,5,20,3,18,3,16,4,14,5,13,7,12,13,10,15,9,16,8,17,6,17,3,15,1,12,0,8,0,5,1,3,3]],T:[16,[8,21,8,0,-1,-1,1,21,15,21]],U:[22,[4,21,4,6,5,3,7,1,10,0,12,0,15,1,17,3,18,6,18,21]],V:[18,[1,21,9,0,-1,-1,17,21,9,0]],W:[24,[2,21,7,0,-1,-1,12,21,7,0,-1,-1,12,21,17,0,-1,-1,22,21,17,0]],X:[20,[3,21,17,0,-1,-1,17,21,3,0]],Y:[18,[1,21,9,11,9,0,-1,-1,17,21,9,11]],Z:[20,[17,21,3,0,-1,-1,3,21,17,21,-1,-1,3,0,17,0]],\"[\":[14,[4,25,4,-7,-1,-1,5,25,5,-7,-1,-1,4,25,11,25,-1,-1,4,-7,11,-7]],\"\\\\\":[14,[0,21,14,-3]],\"]\":[14,[9,25,9,-7,-1,-1,10,25,10,-7,-1,-1,3,25,10,25,-1,-1,3,-7,10,-7]],\"^\":[16,[6,15,8,18,10,15,-1,-1,3,12,8,17,13,12,-1,-1,8,17,8,0]],_:[16,[0,-2,16,-2]],\"`\":[10,[6,21,5,20,4,18,4,16,5,15,6,16,5,17]],a:[19,[15,14,15,0,-1,-1,15,11,13,13,11,14,8,14,6,13,4,11,3,8,3,6,4,3,6,1,8,0,11,0,13,1,15,3]],b:[19,[4,21,4,0,-1,-1,4,11,6,13,8,14,11,14,13,13,15,11,16,8,16,6,15,3,13,1,11,0,8,0,6,1,4,3]],c:[18,[15,11,13,13,11,14,8,14,6,13,4,11,3,8,3,6,4,3,6,1,8,0,11,0,13,1,15,3]],d:[19,[15,21,15,0,-1,-1,15,11,13,13,11,14,8,14,6,13,4,11,3,8,3,6,4,3,6,1,8,0,11,0,13,1,15,3]],e:[18,[3,8,15,8,15,10,14,12,13,13,11,14,8,14,6,13,4,11,3,8,3,6,4,3,6,1,8,0,11,0,13,1,15,3]],f:[12,[10,21,8,21,6,20,5,17,5,0,-1,-1,2,14,9,14]],g:[19,[15,14,15,-2,14,-5,13,-6,11,-7,8,-7,6,-6,-1,-1,15,11,13,13,11,14,8,14,6,13,4,11,3,8,3,6,4,3,6,1,8,0,11,0,13,1,15,3]],h:[19,[4,21,4,0,-1,-1,4,10,7,13,9,14,12,14,14,13,15,10,15,0]],i:[8,[3,21,4,20,5,21,4,22,3,21,-1,-1,4,14,4,0]],j:[10,[5,21,6,20,7,21,6,22,5,21,-1,-1,6,14,6,-3,5,-6,3,-7,1,-7]],k:[17,[4,21,4,0,-1,-1,14,14,4,4,-1,-1,8,8,15,0]],l:[8,[4,21,4,0]],m:[30,[4,14,4,0,-1,-1,4,10,7,13,9,14,12,14,14,13,15,10,15,0,-1,-1,15,10,18,13,20,14,23,14,25,13,26,10,26,0]],n:[19,[4,14,4,0,-1,-1,4,10,7,13,9,14,12,14,14,13,15,10,15,0]],o:[19,[8,14,6,13,4,11,3,8,3,6,4,3,6,1,8,0,11,0,13,1,15,3,16,6,16,8,15,11,13,13,11,14,8,14]],p:[19,[4,14,4,-7,-1,-1,4,11,6,13,8,14,11,14,13,13,15,11,16,8,16,6,15,3,13,1,11,0,8,0,6,1,4,3]],q:[19,[15,14,15,-7,-1,-1,15,11,13,13,11,14,8,14,6,13,4,11,3,8,3,6,4,3,6,1,8,0,11,0,13,1,15,3]],r:[13,[4,14,4,0,-1,-1,4,8,5,11,7,13,9,14,12,14]],s:[17,[14,11,13,13,10,14,7,14,4,13,3,11,4,9,6,8,11,7,13,6,14,4,14,3,13,1,10,0,7,0,4,1,3,3]],t:[12,[5,21,5,4,6,1,8,0,10,0,-1,-1,2,14,9,14]],u:[19,[4,14,4,4,5,1,7,0,10,0,12,1,15,4,-1,-1,15,14,15,0]],v:[16,[2,14,8,0,-1,-1,14,14,8,0]],w:[22,[3,14,7,0,-1,-1,11,14,7,0,-1,-1,11,14,15,0,-1,-1,19,14,15,0]],x:[17,[3,14,14,0,-1,-1,14,14,3,0]],y:[16,[2,14,8,0,-1,-1,14,14,8,0,6,-4,4,-6,2,-7,1,-7]],z:[17,[14,14,3,0,-1,-1,3,14,14,14,-1,-1,3,0,14,0]],\"{\":[14,[9,25,7,24,6,23,5,21,5,19,6,17,7,16,8,14,8,12,6,10,-1,-1,7,24,6,22,6,20,7,18,8,17,9,15,9,13,8,11,4,9,8,7,9,5,9,3,8,1,7,0,6,-2,6,-4,7,-6,-1,-1,6,8,8,6,8,4,7,2,6,1,5,-1,5,-3,6,-5,7,-6,9,-7]],\"|\":[8,[4,25,4,-7]],\"}\":[14,[5,25,7,24,8,23,9,21,9,19,8,17,7,16,6,14,6,12,8,10,-1,-1,7,24,8,22,8,20,7,18,6,17,5,15,5,13,6,11,10,9,6,7,5,5,5,3,6,1,7,0,8,-2,8,-4,7,-6,-1,-1,8,8,6,6,6,4,7,2,8,1,9,-1,9,-3,8,-5,7,-6,5,-7]],\"~\":[24,[3,6,3,8,4,11,6,12,8,12,10,11,14,8,16,7,18,7,20,8,21,10,-1,-1,3,8,4,10,6,11,8,11,10,10,14,7,16,6,18,6,20,7,21,10,21,12]]};e.exports=function(t,e,r,i){i=i||1;var o,a,s,l,u,c,h,f,d=[];for(o=0,a=t.length;a>o;o++)if(u=n[t[o]]){for(f=null,s=0,l=u[1].length;l>s;s+=2)-1===u[1][s]&&-1===u[1][s+1]?f=null:(c=e+u[1][s]*i,h=r-u[1][s+1]*i,f&&d.push(f.x,f.y,c,h),f={x:c,y:h});e+=u[0]*i}return d}},{}],260:[function(t,e,r){\"use strict\";var n=e.exports={};n.Map=t(\"./ui/map\"),n.Control=t(\"./ui/control/control\"),n.Navigation=t(\"./ui/control/navigation\"),n.Geolocate=t(\"./ui/control/geolocate\"),n.Attribution=t(\"./ui/control/attribution\"),n.Popup=t(\"./ui/popup\"),n.GeoJSONSource=t(\"./source/geojson_source\"),n.VideoSource=t(\"./source/video_source\"),n.ImageSource=t(\"./source/image_source\"),n.Style=t(\"./style/style\"),n.LngLat=t(\"./geo/lng_lat\"),n.LngLatBounds=t(\"./geo/lng_lat_bounds\"),n.Point=t(\"point-geometry\"),n.Evented=t(\"./util/evented\"),n.util=t(\"./util/util\"),n.supported=t(\"./util/browser\").supported;var i=t(\"./util/ajax\");n.util.getJSON=i.getJSON,n.util.getArrayBuffer=i.getArrayBuffer;var o=t(\"./util/config\");n.config=o,Object.defineProperty(n,\"accessToken\",{get:function(){return o.ACCESS_TOKEN},set:function(t){o.ACCESS_TOKEN=t}})},{\"./geo/lng_lat\":256,\"./geo/lng_lat_bounds\":257,\"./source/geojson_source\":274,\"./source/image_source\":276,\"./source/video_source\":284,\"./style/style\":290,\"./ui/control/attribution\":318,\"./ui/control/control\":319,\"./ui/control/geolocate\":320,\"./ui/control/navigation\":321,\"./ui/map\":331,\"./ui/popup\":332,\"./util/ajax\":334,\"./util/browser\":335,\"./util/config\":339,\"./util/evented\":341,\"./util/util\":349,\"point-geometry\":404}],261:[function(t,e,r){\"use strict\";function n(t,e,r){var n,i=t.gl,l=t.transform,u=a.premultiply(r.paint[\"background-color\"]),c=r.paint[\"background-pattern\"],h=r.paint[\"background-opacity\"],f=c?t.spriteAtlas.getPosition(c.from,!0):null,d=c?t.spriteAtlas.getPosition(c.to,!0):null;if(t.setDepthSublayer(0),f&&d){if(t.isOpaquePass)return;n=t.useProgram(\"pattern\"),i.uniform1i(n.u_image,0),i.uniform2fv(n.u_pattern_tl_a,f.tl),i.uniform2fv(n.u_pattern_br_a,f.br),i.uniform2fv(n.u_pattern_tl_b,d.tl),i.uniform2fv(n.u_pattern_br_b,d.br),i.uniform1f(n.u_opacity,h),i.uniform1f(n.u_mix,c.t),t.spriteAtlas.bind(i,!0),t.tileExtentPatternVAO.bind(i,n,t.tileExtentBuffer)}else{if(t.isOpaquePass!==(1===u[3]))return;n=t.useProgram(\"fill\"),i.uniform4fv(n.u_color,u),i.uniform1f(n.u_opacity,h),t.tileExtentVAO.bind(i,n,t.tileExtentBuffer)}i.disable(i.STENCIL_TEST);for(var p=o.coveringTiles(l),v=0;v<p.length;v++){var m=p[v],g=512;if(f&&d){var y=[f.size[0]*c.fromScale,f.size[1]*c.fromScale],b=[d.size[0]*c.toScale,d.size[1]*c.toScale],x={coord:m,tileSize:g};i.uniform2fv(n.u_patternscale_a,[1/s(x,y[0],t.transform.tileZoom),1/s(x,y[1],t.transform.tileZoom)]),i.uniform2fv(n.u_patternscale_b,[1/s(x,b[0],t.transform.tileZoom),1/s(x,b[1],t.transform.tileZoom)]);var _=g*Math.pow(2,t.transform.tileZoom-m.z),w=_/y[0]%1*(m.x+m.w*Math.pow(2,m.z)),M=_/y[1]%1*m.y,k=_/b[0]%1*(m.x+m.w*Math.pow(2,m.z)),A=_/b[1]%1*m.y;i.uniform2fv(n.u_offset_a,[w,M]),i.uniform2fv(n.u_offset_b,[k,A])}i.uniformMatrix4fv(n.u_matrix,!1,t.transform.calculatePosMatrix(m)),i.drawArrays(i.TRIANGLE_STRIP,0,t.tileExtentBuffer.length)}i.stencilMask(0),i.stencilFunc(i.EQUAL,128,128)}var i=t(\"../source/tile_pyramid\"),o=new i({tileSize:512}),a=t(\"../util/util\"),s=t(\"../source/pixels_to_tile_units\");e.exports=n},{\"../source/pixels_to_tile_units\":277,\"../source/tile_pyramid\":282,\"../util/util\":349}],262:[function(t,e,r){\"use strict\";function n(t,e,r,n){if(!t.isOpaquePass){var o=t.gl;t.setDepthSublayer(0),t.depthMask(!1),o.disable(o.STENCIL_TEST);for(var a=0;a<n.length;a++){var s=n[a],l=e.getTile(s),u=l.getBucket(r);if(u){var c=u.bufferGroups.circle;if(c){var h=t.useProgram(\"circle\",u.getProgramMacros(\"circle\",r));o.uniform2fv(h.u_extrude_scale,t.transform.pixelsToGLUnits),o.uniform1f(h.u_blur,r.paint[\"circle-blur\"]),o.uniform1f(h.u_devicepixelratio,i.devicePixelRatio),o.uniform1f(h.u_opacity,r.paint[\"circle-opacity\"]),o.uniformMatrix4fv(h.u_matrix,!1,t.translatePosMatrix(s.posMatrix,l,r.paint[\"circle-translate\"],r.paint[\"circle-translate-anchor\"])),u.setUniforms(o,\"circle\",h,r,{zoom:t.transform.zoom});for(var f=0;f<c.length;f++){var d=c[f];d.vaos[r.id].bind(o,h,d.layout.vertex,d.layout.element,d.paint[r.id]),o.drawElements(o.TRIANGLES,3*d.layout.element.length,o.UNSIGNED_SHORT,0)}}}}}}var i=t(\"../util/browser\");e.exports=n},{\"../util/browser\":335}],263:[function(t,e,r){\"use strict\";function n(t,e,r,n){var i=t.gl;i.enable(i.STENCIL_TEST);for(var o=t.useProgram(\"collisionbox\"),a=0;a<n.length;a++){var s=n[a],l=e.getTile(s),u=l.getBucket(r);if(u){var c=u.bufferGroups.collisionBox;if(c&&c.length){var h=c[0];0!==h.layout.vertex.length&&(i.uniformMatrix4fv(o.u_matrix,!1,s.posMatrix),t.enableTileClippingMask(s),t.lineWidth(1),i.uniform1f(o.u_scale,Math.pow(2,t.transform.zoom-l.coord.z)),i.uniform1f(o.u_zoom,10*t.transform.zoom),i.uniform1f(o.u_maxzoom,10*(l.coord.z+1)),h.vaos[r.id].bind(i,o,h.layout.vertex),i.drawArrays(i.LINES,0,h.layout.vertex.length))}}}}e.exports=n},{}],264:[function(t,e,r){\"use strict\";function n(t,e,r){if(!t.isOpaquePass&&t.options.debug)for(var n=0;n<r.length;n++)i(t,e,r[n])}function i(t,e,r){var n=t.gl;n.disable(n.STENCIL_TEST),t.lineWidth(1*a.devicePixelRatio);var i=r.posMatrix,h=t.useProgram(\"debug\");n.uniformMatrix4fv(h.u_matrix,!1,i),n.uniform4f(h.u_color,1,0,0,1),t.debugVAO.bind(n,h,t.debugBuffer),n.drawArrays(n.LINE_STRIP,0,t.debugBuffer.length);for(var f=o(r.toString(),50,200,5),d=new t.PosArray,p=0;p<f.length;p+=2)d.emplaceBack(f[p],f[p+1]);var v=new u(d.serialize(),t.PosArray.serialize(),u.BufferType.VERTEX),m=new c;m.bind(n,h,v),n.uniform4f(h.u_color,1,1,1,1);for(var g=e.getTile(r).tileSize,y=l/(Math.pow(2,t.transform.zoom-r.z)*g),b=[[-1,-1],[-1,1],[1,-1],[1,1]],x=0;x<b.length;x++){var _=b[x];n.uniformMatrix4fv(h.u_matrix,!1,s.translate([],i,[y*_[0],y*_[1],0])),n.drawArrays(n.LINES,0,v.length)}n.uniform4f(h.u_color,0,0,0,1),n.uniformMatrix4fv(h.u_matrix,!1,i),n.drawArrays(n.LINES,0,v.length)}var o=t(\"../lib/debugtext\"),a=t(\"../util/browser\"),s=t(\"gl-matrix\").mat4,l=t(\"../data/bucket\").EXTENT,u=t(\"../data/buffer\"),c=t(\"./vertex_array_object\");e.exports=n},{\"../data/bucket\":247,\"../data/buffer\":252,\"../lib/debugtext\":259,\"../util/browser\":335,\"./vertex_array_object\":273,\"gl-matrix\":363}],265:[function(t,e,r){\"use strict\";function n(t,e,r,n){var a=t.gl;a.enable(a.STENCIL_TEST);var l=s.premultiply(r.paint[\"fill-color\"]),u=r.paint[\"fill-pattern\"],c=s.premultiply(r.paint[\"fill-outline-color\"]),h=r.paint[\"fill-opacity\"];if(u?!t.isOpaquePass:t.isOpaquePass===(1===l[3]&&1===h))for(var f=0;f<n.length;f++)i(t,e,r,n[f]);if(!t.isOpaquePass&&r.paint[\"fill-antialias\"])if(c||!r.paint[\"fill-pattern\"]){var d=t.useProgram(\"outline\");t.lineWidth(2),t.depthMask(!1),c?t.setDepthSublayer(2):t.setDepthSublayer(0),a.uniform2f(d.u_world,a.drawingBufferWidth,a.drawingBufferHeight),a.uniform4fv(d.u_color,c?c:l),a.uniform1f(d.u_opacity,h);for(var p=0;p<n.length;p++)o(t,e,r,n[p])}else{var v=t.useProgram(\"outlinepattern\");t.lineWidth(2),t.depthMask(!1),t.setDepthSublayer(0),a.uniform2f(v.u_world,a.drawingBufferWidth,a.drawingBufferHeight);for(var m=0;m<n.length;m++)o(t,e,r,n[m])}}function i(t,e,r,n){var i=e.getTile(n),o=i.getBucket(r);if(o){var l=o.bufferGroups.fill;if(l){var u=t.gl,c=s.premultiply(r.paint[\"fill-color\"]),h=r.paint[\"fill-pattern\"],f=r.paint[\"fill-opacity\"],d=n.posMatrix,p=t.translatePosMatrix(d,i,r.paint[\"fill-translate\"],r.paint[\"fill-translate-anchor\"]);t.setDepthSublayer(1),u.stencilMask(7),u.clear(u.STENCIL_BUFFER_BIT),t.enableTileClippingMask(n),u.stencilOpSeparate(u.FRONT,u.KEEP,u.KEEP,u.INCR_WRAP),u.stencilOpSeparate(u.BACK,u.KEEP,u.KEEP,u.DECR_WRAP),u.colorMask(!1,!1,!1,!1),t.depthMask(!1);var v=t.useProgram(\"fill\");u.uniformMatrix4fv(v.u_matrix,!1,p);for(var m=0;m<l.length;m++){var g=l[m];g.vaos[r.id].bind(u,v,g.layout.vertex,g.layout.element),u.drawElements(u.TRIANGLES,3*g.layout.element.length,u.UNSIGNED_SHORT,0)}u.colorMask(!0,!0,!0,!0),t.depthMask(!0),u.stencilOp(u.KEEP,u.KEEP,u.KEEP),u.stencilMask(0);var y;h?(y=t.useProgram(\"pattern\"),a(h,f,i,n,t,y),u.activeTexture(u.TEXTURE0),t.spriteAtlas.bind(u,!0),t.tileExtentPatternVAO.bind(u,y,t.tileExtentBuffer)):(y=t.useProgram(\"fill\"),u.uniform4fv(v.u_color,c),u.uniform1f(v.u_opacity,f),t.tileExtentVAO.bind(u,y,t.tileExtentBuffer)),u.uniformMatrix4fv(y.u_matrix,!1,d),u.stencilFunc(u.NOTEQUAL,0,7),u.drawArrays(u.TRIANGLE_STRIP,0,t.tileExtentBuffer.length),u.stencilMask(0)}}}function o(t,e,r,n){var i=e.getTile(n),o=i.getBucket(r);if(o){var s=t.gl,l=o.bufferGroups.fill,u=r.paint[\"fill-pattern\"],c=r.paint[\"fill-opacity\"],h=u?t.useProgram(\"outlinepattern\"):t.useProgram(\"outline\");s.uniformMatrix4fv(h.u_matrix,!1,t.translatePosMatrix(n.posMatrix,i,r.paint[\"fill-translate\"],r.paint[\"fill-translate-anchor\"])),u&&a(u,c,i,n,t,h),t.enableTileClippingMask(n);for(var f=0;f<l.length;f++){var d=l[f];d.secondVaos[r.id].bind(s,h,d.layout.vertex,d.layout.element2),s.drawElements(s.LINES,2*d.layout.element2.length,s.UNSIGNED_SHORT,0)}}}function a(t,e,r,n,i,o){var a=i.gl,s=i.spriteAtlas.getPosition(t.from,!0),u=i.spriteAtlas.getPosition(t.to,!0);if(s&&u){a.uniform1i(o.u_image,0),a.uniform2fv(o.u_pattern_tl_a,s.tl),a.uniform2fv(o.u_pattern_br_a,s.br),a.uniform2fv(o.u_pattern_tl_b,u.tl),a.uniform2fv(o.u_pattern_br_b,u.br),a.uniform1f(o.u_opacity,e),a.uniform1f(o.u_mix,t.t);var c=[s.size[0]*t.fromScale,s.size[1]*t.fromScale],h=[u.size[0]*t.toScale,u.size[1]*t.toScale];a.uniform2fv(o.u_patternscale_a,[1/l(r,c[0],i.transform.tileZoom),1/l(r,c[1],i.transform.tileZoom)]),a.uniform2fv(o.u_patternscale_b,[1/l(r,h[0],i.transform.tileZoom),1/l(r,h[1],i.transform.tileZoom)]);var f=r.tileSize*Math.pow(2,i.transform.tileZoom-r.coord.z),d=f/c[0]%1*(r.coord.x+n.w*Math.pow(2,r.coord.z)),p=f/c[1]%1*r.coord.y,v=f/h[0]%1*(r.coord.x+n.w*Math.pow(2,r.coord.z)),m=f/h[1]%1*r.coord.y;a.uniform2fv(o.u_offset_a,[d,p]),a.uniform2fv(o.u_offset_b,[v,m]),a.activeTexture(a.TEXTURE0),i.spriteAtlas.bind(a,!0)}}var s=t(\"../util/util\"),l=t(\"../source/pixels_to_tile_units\");e.exports=n},{\n\"../source/pixels_to_tile_units\":277,\"../util/util\":349}],266:[function(t,e,r){\"use strict\";var n=t(\"../util/browser\"),i=t(\"gl-matrix\").mat2,o=t(\"../util/util\"),a=t(\"../source/pixels_to_tile_units\");e.exports=function(t,e,r,s){if(!t.isOpaquePass){t.setDepthSublayer(0),t.depthMask(!1);var l=t.gl;if(l.enable(l.STENCIL_TEST),!(r.paint[\"line-width\"]<=0)){var u=1/n.devicePixelRatio,c=r.paint[\"line-blur\"]+u,h=r.paint[\"line-width\"]/2,f=-1,d=0,p=0;r.paint[\"line-gap-width\"]>0&&(f=r.paint[\"line-gap-width\"]/2+.5*u,h=r.paint[\"line-width\"],d=f-u/2);var v=d+h+u/2+p,m=o.premultiply(r.paint[\"line-color\"]),g=t.transform,y=i.create();i.scale(y,y,[1,Math.cos(g._pitch)]),i.rotate(y,y,t.transform.angle);var b,x,_,w,M,k=Math.sqrt(g.height*g.height/4*(1+g.altitude*g.altitude)),A=g.height/2*Math.tan(g._pitch),T=(k+A)/k-1,E=r.paint[\"line-dasharray\"],S=r.paint[\"line-pattern\"];if(E)b=t.useProgram(\"linesdfpattern\"),l.uniform2fv(b.u_linewidth,[v,f]),l.uniform1f(b.u_blur,c),l.uniform4fv(b.u_color,m),l.uniform1f(b.u_opacity,r.paint[\"line-opacity\"]),x=t.lineAtlas.getDash(E.from,\"round\"===r.layout[\"line-cap\"]),_=t.lineAtlas.getDash(E.to,\"round\"===r.layout[\"line-cap\"]),l.uniform1i(b.u_image,0),l.activeTexture(l.TEXTURE0),t.lineAtlas.bind(l),l.uniform1f(b.u_tex_y_a,x.y),l.uniform1f(b.u_tex_y_b,_.y),l.uniform1f(b.u_mix,E.t),l.uniform1f(b.u_extra,T),l.uniform1f(b.u_offset,-r.paint[\"line-offset\"]),l.uniformMatrix2fv(b.u_antialiasingmatrix,!1,y);else if(S){if(w=t.spriteAtlas.getPosition(S.from,!0),M=t.spriteAtlas.getPosition(S.to,!0),!w||!M)return;b=t.useProgram(\"linepattern\"),l.uniform1i(b.u_image,0),l.activeTexture(l.TEXTURE0),t.spriteAtlas.bind(l,!0),l.uniform2fv(b.u_linewidth,[v,f]),l.uniform1f(b.u_blur,c),l.uniform2fv(b.u_pattern_tl_a,w.tl),l.uniform2fv(b.u_pattern_br_a,w.br),l.uniform2fv(b.u_pattern_tl_b,M.tl),l.uniform2fv(b.u_pattern_br_b,M.br),l.uniform1f(b.u_fade,S.t),l.uniform1f(b.u_opacity,r.paint[\"line-opacity\"]),l.uniform1f(b.u_extra,T),l.uniform1f(b.u_offset,-r.paint[\"line-offset\"]),l.uniformMatrix2fv(b.u_antialiasingmatrix,!1,y)}else b=t.useProgram(\"line\"),l.uniform2fv(b.u_linewidth,[v,f]),l.uniform1f(b.u_blur,c),l.uniform1f(b.u_extra,T),l.uniform1f(b.u_offset,-r.paint[\"line-offset\"]),l.uniformMatrix2fv(b.u_antialiasingmatrix,!1,y),l.uniform4fv(b.u_color,m),l.uniform1f(b.u_opacity,r.paint[\"line-opacity\"]);for(var L=0;L<s.length;L++){var z=s[L],I=e.getTile(z),P=I.getBucket(r);if(P){var C=P.bufferGroups.line;if(C){t.enableTileClippingMask(z);var R=t.translatePosMatrix(z.posMatrix,I,r.paint[\"line-translate\"],r.paint[\"line-translate-anchor\"]);l.uniformMatrix4fv(b.u_matrix,!1,R);var D=1/a(I,1,t.transform.zoom);if(E){var O=x.width*E.fromScale,F=_.width*E.toScale,j=[1/a(I,O,t.transform.tileZoom),-x.height/2],N=[1/a(I,F,t.transform.tileZoom),-_.height/2],B=t.lineAtlas.width/(256*Math.min(O,F)*n.devicePixelRatio)/2;l.uniform1f(b.u_ratio,D),l.uniform2fv(b.u_patternscale_a,j),l.uniform2fv(b.u_patternscale_b,N),l.uniform1f(b.u_sdfgamma,B)}else S?(l.uniform1f(b.u_ratio,D),l.uniform2fv(b.u_pattern_size_a,[a(I,w.size[0]*S.fromScale,t.transform.tileZoom),M.size[1]]),l.uniform2fv(b.u_pattern_size_b,[a(I,M.size[0]*S.toScale,t.transform.tileZoom),M.size[1]])):l.uniform1f(b.u_ratio,D);for(var U=0;U<C.length;U++){var V=C[U];V.vaos[r.id].bind(l,b,V.layout.vertex,V.layout.element),l.drawElements(l.TRIANGLES,3*V.layout.element.length,l.UNSIGNED_SHORT,0)}}}}}}}},{\"../source/pixels_to_tile_units\":277,\"../util/browser\":335,\"../util/util\":349,\"gl-matrix\":363}],267:[function(t,e,r){\"use strict\";function n(t,e,r,n){if(!t.isOpaquePass){var o=t.gl;o.enable(o.DEPTH_TEST),t.depthMask(!0),o.depthFunc(o.LESS);for(var a=n.length&&n[0].z,s=0;s<n.length;s++){var l=n[s];t.setDepthSublayer(l.z-a),i(t,e,r,l)}o.depthFunc(o.LEQUAL)}}function i(t,e,r,n){var i=t.gl;i.disable(i.STENCIL_TEST);var u=e.getTile(n),c=t.transform.calculatePosMatrix(n,e.maxzoom),h=t.useProgram(\"raster\");i.uniformMatrix4fv(h.u_matrix,!1,c),i.uniform1f(h.u_brightness_low,r.paint[\"raster-brightness-min\"]),i.uniform1f(h.u_brightness_high,r.paint[\"raster-brightness-max\"]),i.uniform1f(h.u_saturation_factor,s(r.paint[\"raster-saturation\"])),i.uniform1f(h.u_contrast_factor,a(r.paint[\"raster-contrast\"])),i.uniform3fv(h.u_spin_weights,o(r.paint[\"raster-hue-rotate\"]));var f,d,p=u.source&&u.source._pyramid.findLoadedParent(n,0,{}),v=l(u,p,r,t.transform);i.activeTexture(i.TEXTURE0),i.bindTexture(i.TEXTURE_2D,u.texture),p?(i.activeTexture(i.TEXTURE1),i.bindTexture(i.TEXTURE_2D,p.texture),f=Math.pow(2,p.coord.z-u.coord.z),d=[u.coord.x*f%1,u.coord.y*f%1]):v[1]=0,i.uniform2fv(h.u_tl_parent,d||[0,0]),i.uniform1f(h.u_scale_parent,f||1),i.uniform1f(h.u_buffer_scale,1),i.uniform1f(h.u_opacity0,v[0]),i.uniform1f(h.u_opacity1,v[1]),i.uniform1i(h.u_image0,0),i.uniform1i(h.u_image1,1);var m=u.boundsBuffer||t.rasterBoundsBuffer,g=u.boundsVAO||t.rasterBoundsVAO;g.bind(i,h,m),i.drawArrays(i.TRIANGLE_STRIP,0,m.length)}function o(t){t*=Math.PI/180;var e=Math.sin(t),r=Math.cos(t);return[(2*r+1)/3,(-Math.sqrt(3)*e-r+1)/3,(Math.sqrt(3)*e-r+1)/3]}function a(t){return t>0?1/(1-t):1+t}function s(t){return t>0?1-1/(1.001-t):-t}function l(t,e,r,n){var i=[1,0],o=r.paint[\"raster-fade-duration\"];if(t.source&&o>0){var a=(new Date).getTime(),s=(a-t.timeAdded)/o,l=e?(a-e.timeAdded)/o:-1,c=t.source._pyramid.coveringZoomLevel(n),h=e?Math.abs(e.coord.z-c)>Math.abs(t.coord.z-c):!1;!e||h?(i[0]=u.clamp(s,0,1),i[1]=1-i[0]):(i[0]=u.clamp(1-l,0,1),i[1]=1-i[0])}var f=r.paint[\"raster-opacity\"];return i[0]*=f,i[1]*=f,i}var u=t(\"../util/util\"),c=t(\"../util/struct_array\");e.exports=n,n.RasterBoundsArray=new c({members:[{name:\"a_pos\",type:\"Int16\",components:2},{name:\"a_texture_pos\",type:\"Int16\",components:2}]})},{\"../util/struct_array\":347,\"../util/util\":349}],268:[function(t,e,r){\"use strict\";function n(t,e,r,n){if(!t.isOpaquePass){var o=!(r.layout[\"text-allow-overlap\"]||r.layout[\"icon-allow-overlap\"]||r.layout[\"text-ignore-placement\"]||r.layout[\"icon-ignore-placement\"]),a=t.gl;o?a.disable(a.STENCIL_TEST):a.enable(a.STENCIL_TEST),t.setDepthSublayer(0),t.depthMask(!1),a.disable(a.DEPTH_TEST),i(t,e,r,n,!1,r.paint[\"icon-translate\"],r.paint[\"icon-translate-anchor\"],r.layout[\"icon-rotation-alignment\"],r.layout[\"icon-size\"],r.paint[\"icon-halo-width\"],r.paint[\"icon-halo-color\"],r.paint[\"icon-halo-blur\"],r.paint[\"icon-opacity\"],r.paint[\"icon-color\"]),i(t,e,r,n,!0,r.paint[\"text-translate\"],r.paint[\"text-translate-anchor\"],r.layout[\"text-rotation-alignment\"],r.layout[\"text-size\"],r.paint[\"text-halo-width\"],r.paint[\"text-halo-color\"],r.paint[\"text-halo-blur\"],r.paint[\"text-opacity\"],r.paint[\"text-color\"]),a.enable(a.DEPTH_TEST),s(t,e,r,n)}}function i(t,e,r,n,i,a,s,u,c,h,f,d,p,v){f=l.premultiply(f),v=l.premultiply(v);for(var m=0;m<n.length;m++){var g=e.getTile(n[m]),y=g.getBucket(r);if(y){var b=y.bufferGroups,x=i?b.glyph:b.icon;x.length&&(t.enableTileClippingMask(n[m]),o(t,r,n[m].posMatrix,g,y,x,i,i||y.sdfIcons,!i&&y.iconsNeedLinear,i?y.adjustedTextSize:y.adjustedIconSize,y.fontstack,a,s,u,c,h,f,d,p,v))}}}function o(t,e,r,n,i,o,s,l,c,h,f,d,p,v,m,g,y,b,x,_){var w,M,k,A=t.gl,T=t.transform,E=\"map\"===v,S=s?24:1,L=m/S;E?(M=u(n,1,t.transform.zoom)*L,k=1/Math.cos(T._pitch),w=[M,M]):(M=t.transform.altitude*L,k=1,w=[T.pixelsToGLUnits[0]*M,T.pixelsToGLUnits[1]*M]);var z=Math.sqrt(T.height*T.height/4*(1+T.altitude*T.altitude)),I=T.height/2*Math.tan(T._pitch),P=(z+I)/z-1;if(s||t.style.sprite.loaded()){var C=t.useProgram(l?\"sdf\":\"icon\");if(A.uniformMatrix4fv(C.u_matrix,!1,t.translatePosMatrix(r,n,d,p)),A.uniform1i(C.u_skewed,E),A.uniform1f(C.u_extra,P),A.uniform2fv(C.u_extrude_scale,w),A.activeTexture(A.TEXTURE0),A.uniform1i(C.u_texture,0),s){var R=f&&t.glyphSource.getGlyphAtlas(f);if(!R)return;R.updateTexture(A),A.uniform2f(C.u_texsize,R.width/4,R.height/4)}else{var D=t.options.rotating||t.options.zooming,O=1!==L||a.devicePixelRatio!==t.spriteAtlas.pixelRatio||c,F=E||t.transform.pitch;t.spriteAtlas.bind(A,l||D||O||F),A.uniform2f(C.u_texsize,t.spriteAtlas.width/4,t.spriteAtlas.height/4)}var j=Math.log(m/h)/Math.LN2||0;A.uniform1f(C.u_zoom,10*(t.transform.zoom-j)),A.activeTexture(A.TEXTURE1),t.frameHistory.bind(A),A.uniform1i(C.u_fadetexture,1);var N;if(l){var B=8,U=1.19,V=6,q=.105*S/m/a.devicePixelRatio;if(g){A.uniform1f(C.u_gamma,(b*U/L/B+q)*k),A.uniform4fv(C.u_color,y),A.uniform1f(C.u_opacity,x),A.uniform1f(C.u_buffer,(V-g/L)/B);for(var G=0;G<o.length;G++)N=o[G],N.vaos[e.id].bind(A,C,N.layout.vertex,N.layout.element),A.drawElements(A.TRIANGLES,3*N.layout.element.length,A.UNSIGNED_SHORT,0)}A.uniform1f(C.u_gamma,q*k),A.uniform4fv(C.u_color,_),A.uniform1f(C.u_opacity,x),A.uniform1f(C.u_buffer,.75);for(var H=0;H<o.length;H++)N=o[H],N.vaos[e.id].bind(A,C,N.layout.vertex,N.layout.element),A.drawElements(A.TRIANGLES,3*N.layout.element.length,A.UNSIGNED_SHORT,0)}else{A.uniform1f(C.u_opacity,x);for(var X=0;X<o.length;X++)N=o[X],N.vaos[e.id].bind(A,C,N.layout.vertex,N.layout.element),A.drawElements(A.TRIANGLES,3*N.layout.element.length,A.UNSIGNED_SHORT,0)}}}var a=t(\"../util/browser\"),s=t(\"./draw_collision_debug\"),l=t(\"../util/util\"),u=t(\"../source/pixels_to_tile_units\");e.exports=n},{\"../source/pixels_to_tile_units\":277,\"../util/browser\":335,\"../util/util\":349,\"./draw_collision_debug\":263}],269:[function(t,e,r){\"use strict\";function n(){this.changeTimes=new Float64Array(256),this.changeOpacities=new Uint8Array(256),this.opacities=new Uint8ClampedArray(256),this.array=new Uint8Array(this.opacities.buffer),this.fadeDuration=300,this.previousZoom=0,this.firstFrame=!0}e.exports=n,n.prototype.record=function(t){var e=Date.now();this.firstFrame&&(e=0,this.firstFrame=!1),t=Math.floor(10*t);var r;if(t<this.previousZoom)for(r=t+1;r<=this.previousZoom;r++)this.changeTimes[r]=e,this.changeOpacities[r]=this.opacities[r];else for(r=t;r>this.previousZoom;r--)this.changeTimes[r]=e,this.changeOpacities[r]=this.opacities[r];for(r=0;256>r;r++){var n=e-this.changeTimes[r],i=n/this.fadeDuration*255;t>=r?this.opacities[r]=this.changeOpacities[r]+i:this.opacities[r]=this.changeOpacities[r]-i}this.changed=!0,this.previousZoom=t},n.prototype.bind=function(t){this.texture?(t.bindTexture(t.TEXTURE_2D,this.texture),this.changed&&(t.texSubImage2D(t.TEXTURE_2D,0,0,0,256,1,t.ALPHA,t.UNSIGNED_BYTE,this.array),this.changed=!1)):(this.texture=t.createTexture(),t.bindTexture(t.TEXTURE_2D,this.texture),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_WRAP_S,t.CLAMP_TO_EDGE),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_WRAP_T,t.CLAMP_TO_EDGE),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_MIN_FILTER,t.NEAREST),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_MAG_FILTER,t.NEAREST),t.texImage2D(t.TEXTURE_2D,0,t.ALPHA,256,1,0,t.ALPHA,t.UNSIGNED_BYTE,this.array))}},{}],270:[function(t,e,r){\"use strict\";function n(t,e){this.width=t,this.height=e,this.nextRow=0,this.bytes=4,this.data=new Uint8Array(this.width*this.height*this.bytes),this.positions={}}e.exports=n,n.prototype.setSprite=function(t){this.sprite=t},n.prototype.getDash=function(t,e){var r=t.join(\",\")+e;return this.positions[r]||(this.positions[r]=this.addDash(t,e)),this.positions[r]},n.prototype.addDash=function(t,e){var r=e?7:0,n=2*r+1,i=128;if(this.nextRow+n>this.height)return console.warn(\"LineAtlas out of space\"),null;for(var o=0,a=0;a<t.length;a++)o+=t[a];for(var s=this.width/o,l=s/2,u=t.length%2===1,c=-r;r>=c;c++)for(var h=this.nextRow+r+c,f=this.width*h,d=u?-t[t.length-1]:0,p=t[0],v=1,m=0;m<this.width;m++){for(;m/s>p;)d=p,p+=t[v],u&&v===t.length-1&&(p+=t[0]),v++;var g,y=Math.abs(m-d*s),b=Math.abs(m-p*s),x=Math.min(y,b),_=v%2===1;if(e){var w=r?c/r*(l+1):0;if(_){var M=l-Math.abs(w);g=Math.sqrt(x*x+M*M)}else g=l-Math.sqrt(x*x+w*w)}else g=(_?1:-1)*x;this.data[3+4*(f+m)]=Math.max(0,Math.min(255,g+i))}var k={y:(this.nextRow+r+.5)/this.height,height:2*r/this.height,width:o};return this.nextRow+=n,this.dirty=!0,k},n.prototype.bind=function(t){this.texture?(t.bindTexture(t.TEXTURE_2D,this.texture),this.dirty&&(this.dirty=!1,t.texSubImage2D(t.TEXTURE_2D,0,0,0,this.width,this.height,t.RGBA,t.UNSIGNED_BYTE,this.data))):(this.texture=t.createTexture(),t.bindTexture(t.TEXTURE_2D,this.texture),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_WRAP_S,t.REPEAT),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_WRAP_T,t.REPEAT),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_MIN_FILTER,t.LINEAR),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_MAG_FILTER,t.LINEAR),t.texImage2D(t.TEXTURE_2D,0,t.RGBA,this.width,this.height,0,t.RGBA,t.UNSIGNED_BYTE,this.data))}},{}],271:[function(t,e,r){\"use strict\";function n(t,e){this.gl=t,this.transform=e,this.reusableTextures={},this.preFbos={},this.frameHistory=new a,this.setup(),this.numSublayers=s.maxUnderzooming+s.maxOverzooming+1,this.depthEpsilon=1/Math.pow(2,16),this.lineWidthRange=t.getParameter(t.ALIASED_LINE_WIDTH_RANGE)}var i=t(\"../util/browser\"),o=t(\"gl-matrix\").mat4,a=t(\"./frame_history\"),s=t(\"../source/tile_pyramid\"),l=t(\"../data/bucket\").EXTENT,u=t(\"../source/pixels_to_tile_units\"),c=t(\"../util/util\"),h=t(\"../util/struct_array\"),f=t(\"../data/buffer\"),d=t(\"./vertex_array_object\"),p=t(\"./draw_raster\").RasterBoundsArray;e.exports=n,c.extend(n.prototype,t(\"./painter/use_program\")),n.prototype.resize=function(t,e){var r=this.gl;this.width=t*i.devicePixelRatio,this.height=e*i.devicePixelRatio,r.viewport(0,0,this.width,this.height)},n.prototype.setup=function(){var t=this.gl;t.verbose=!0,t.enable(t.BLEND),t.blendFunc(t.ONE,t.ONE_MINUS_SRC_ALPHA),t.enable(t.STENCIL_TEST),t.enable(t.DEPTH_TEST),t.depthFunc(t.LEQUAL),this._depthMask=!1,t.depthMask(!1);var e=this.PosArray=new h({members:[{name:\"a_pos\",type:\"Int16\",components:2}]}),r=new e;r.emplaceBack(0,0),r.emplaceBack(l,0),r.emplaceBack(0,l),r.emplaceBack(l,l),this.tileExtentBuffer=new f(r.serialize(),e.serialize(),f.BufferType.VERTEX),this.tileExtentVAO=new d,this.tileExtentPatternVAO=new d;var n=new e;n.emplaceBack(0,0),n.emplaceBack(l,0),n.emplaceBack(l,l),n.emplaceBack(0,l),n.emplaceBack(0,0),this.debugBuffer=new f(n.serialize(),e.serialize(),f.BufferType.VERTEX),this.debugVAO=new d;var i=new p;i.emplaceBack(0,0,0,0),i.emplaceBack(l,0,32767,0),i.emplaceBack(0,l,0,32767),i.emplaceBack(l,l,32767,32767),this.rasterBoundsBuffer=new f(i.serialize(),p.serialize(),f.BufferType.VERTEX),this.rasterBoundsVAO=new d},n.prototype.clearColor=function(){var t=this.gl;t.clearColor(0,0,0,0),t.clear(t.COLOR_BUFFER_BIT)},n.prototype.clearStencil=function(){var t=this.gl;t.clearStencil(0),t.stencilMask(255),t.clear(t.STENCIL_BUFFER_BIT)},n.prototype.clearDepth=function(){var t=this.gl;t.clearDepth(1),this.depthMask(!0),t.clear(t.DEPTH_BUFFER_BIT)},n.prototype._renderTileClippingMasks=function(t){var e=this.gl;e.colorMask(!1,!1,!1,!1),this.depthMask(!1),e.disable(e.DEPTH_TEST),e.enable(e.STENCIL_TEST),e.stencilMask(248),e.stencilOp(e.KEEP,e.KEEP,e.REPLACE);var r=1;this._tileClippingMaskIDs={};for(var n=0;n<t.length;n++){var i=t[n],o=this._tileClippingMaskIDs[i.id]=r++<<3;e.stencilFunc(e.ALWAYS,o,248);var a=this.useProgram(\"fill\");e.uniformMatrix4fv(a.u_matrix,!1,i.posMatrix),this.tileExtentVAO.bind(e,a,this.tileExtentBuffer),e.drawArrays(e.TRIANGLE_STRIP,0,this.tileExtentBuffer.length)}e.stencilMask(0),e.colorMask(!0,!0,!0,!0),this.depthMask(!0),e.enable(e.DEPTH_TEST)},n.prototype.enableTileClippingMask=function(t){var e=this.gl;e.stencilFunc(e.EQUAL,this._tileClippingMaskIDs[t.id],248)},n.prototype.prepareBuffers=function(){},n.prototype.bindDefaultFramebuffer=function(){var t=this.gl;t.bindFramebuffer(t.FRAMEBUFFER,null)};var v={symbol:t(\"./draw_symbol\"),circle:t(\"./draw_circle\"),line:t(\"./draw_line\"),fill:t(\"./draw_fill\"),raster:t(\"./draw_raster\"),background:t(\"./draw_background\"),debug:t(\"./draw_debug\")};n.prototype.render=function(t,e){this.style=t,this.options=e,this.lineAtlas=t.lineAtlas,this.spriteAtlas=t.spriteAtlas,this.spriteAtlas.setSprite(t.sprite),this.glyphSource=t.glyphSource,this.frameHistory.record(this.transform.zoom),this.prepareBuffers(),this.clearColor(),this.clearDepth(),this.showOverdrawInspector(e.showOverdrawInspector),this.depthRange=(t._order.length+2)*this.numSublayers*this.depthEpsilon,this.renderPass({isOpaquePass:!0}),this.renderPass({isOpaquePass:!1})},n.prototype.renderPass=function(t){var e=this.style._groups,r=t.isOpaquePass;this.currentLayer=r?this.style._order.length:-1;for(var n=0;n<e.length;n++){var i,o=e[r?e.length-1-n:n],a=this.style.sources[o.source],s=[];if(a){for(s=a.getVisibleCoordinates(),i=0;i<s.length;i++)s[i].posMatrix=this.transform.calculatePosMatrix(s[i],a.maxzoom);this.clearStencil(),a.prepare&&a.prepare(),a.isTileClipped&&this._renderTileClippingMasks(s)}for(r?(this._showOverdrawInspector||this.gl.disable(this.gl.BLEND),this.isOpaquePass=!0):(this.gl.enable(this.gl.BLEND),this.isOpaquePass=!1,s.reverse()),i=0;i<o.length;i++){var l=o[r?o.length-1-i:i];this.currentLayer+=r?-1:1,this.renderLayer(this,a,l,s)}a&&v.debug(this,a,s)}},n.prototype.depthMask=function(t){t!==this._depthMask&&(this._depthMask=t,this.gl.depthMask(t))},n.prototype.renderLayer=function(t,e,r,n){r.isHidden(this.transform.zoom)||(\"background\"===r.type||n.length)&&(this.id=r.id,v[r.type](t,e,r,n))},n.prototype.setDepthSublayer=function(t){var e=1-((1+this.currentLayer)*this.numSublayers+t)*this.depthEpsilon,r=e-1+this.depthRange;this.gl.depthRange(r,e)},n.prototype.translatePosMatrix=function(t,e,r,n){if(!r[0]&&!r[1])return t;if(\"viewport\"===n){var i=Math.sin(-this.transform.angle),a=Math.cos(-this.transform.angle);r=[r[0]*a-r[1]*i,r[0]*i+r[1]*a]}var s=[u(e,r[0],this.transform.zoom),u(e,r[1],this.transform.zoom),0],l=new Float32Array(16);return o.translate(l,t,s),l},n.prototype.saveTexture=function(t){var e=this.reusableTextures[t.size];e?e.push(t):this.reusableTextures[t.size]=[t]},n.prototype.getTexture=function(t){var e=this.reusableTextures[t];return e&&e.length>0?e.pop():null},n.prototype.lineWidth=function(t){this.gl.lineWidth(c.clamp(t,this.lineWidthRange[0],this.lineWidthRange[1]))},n.prototype.showOverdrawInspector=function(t){if(t||this._showOverdrawInspector){this._showOverdrawInspector=t;var e=this.gl;if(t){e.blendFunc(e.CONSTANT_COLOR,e.ONE);var r=8,n=1/r;e.blendColor(n,n,n,0),e.clearColor(0,0,0,1),e.clear(e.COLOR_BUFFER_BIT)}else e.blendFunc(e.ONE,e.ONE_MINUS_SRC_ALPHA)}}},{\"../data/bucket\":247,\"../data/buffer\":252,\"../source/pixels_to_tile_units\":277,\"../source/tile_pyramid\":282,\"../util/browser\":335,\"../util/struct_array\":347,\"../util/util\":349,\"./draw_background\":261,\"./draw_circle\":262,\"./draw_debug\":264,\"./draw_fill\":265,\"./draw_line\":266,\"./draw_raster\":267,\"./draw_symbol\":268,\"./frame_history\":269,\"./painter/use_program\":272,\"./vertex_array_object\":273,\"gl-matrix\":363}],272:[function(t,e,r){\"use strict\";var n=(t(\"path\"),t(\"assert\")),i=t(\"../../util/util\"),o={debug:{fragmentSource:\"precision mediump float;\\n\\nuniform lowp vec4 u_color;\\n\\nvoid main() {\\n    gl_FragColor = u_color;\\n}\\n\",vertexSource:\"precision highp float;\\n\\nattribute vec2 a_pos;\\n\\nuniform mat4 u_matrix;\\n\\nvoid main() {\\n    gl_Position = u_matrix * vec4(a_pos, step(32767.0, a_pos.x), 1);\\n}\\n\"},fill:{fragmentSource:\"precision mediump float;\\n\\nuniform lowp vec4 u_color;\\nuniform lowp float u_opacity;\\n\\nvoid main() {\\n    gl_FragColor = u_color * u_opacity;\\n\\n#ifdef OVERDRAW_INSPECTOR\\n    gl_FragColor = vec4(1.0);\\n#endif\\n}\\n\",vertexSource:\"precision highp float;\\n\\nattribute vec2 a_pos;\\nuniform mat4 u_matrix;\\n\\nvoid main() {\\n    gl_Position = u_matrix * vec4(a_pos, 0, 1);\\n}\\n\"},circle:{fragmentSource:\"precision mediump float;\\n\\nuniform lowp float u_blur;\\nuniform lowp float u_opacity;\\n\\nvarying lowp vec4 v_color;\\nvarying vec2 v_extrude;\\nvarying lowp float v_antialiasblur;\\n\\nvoid main() {\\n    float t = smoothstep(1.0 - max(u_blur, v_antialiasblur), 1.0, length(v_extrude));\\n    gl_FragColor = v_color * (1.0 - t) * u_opacity;\\n\\n#ifdef OVERDRAW_INSPECTOR\\n    gl_FragColor = vec4(1.0);\\n#endif\\n}\\n\",vertexSource:\"precision highp float;\\n\\nuniform mat4 u_matrix;\\nuniform vec2 u_extrude_scale;\\nuniform float u_devicepixelratio;\\n\\nattribute vec2 a_pos;\\n\\n#ifdef ATTRIBUTE_A_COLOR\\nattribute lowp vec4 a_color;\\n#elif defined ATTRIBUTE_ZOOM_FUNCTION_A_COLOR0\\nuniform lowp float u_color_t;\\nattribute lowp vec4 a_color0;\\nattribute lowp vec4 a_color1;\\nattribute lowp vec4 a_color2;\\nattribute lowp vec4 a_color3;\\n#else\\nuniform lowp vec4 a_color;\\n#endif\\n\\n#ifdef ATTRIBUTE_A_RADIUS\\nattribute mediump float a_radius;\\n#elif defined ATTRIBUTE_ZOOM_FUNCTION_A_RADIUS\\nuniform lowp float u_radius_t;\\nattribute mediump vec4 a_radius;\\n#else\\nuniform mediump float a_radius;\\n#endif\\n\\nvarying vec2 v_extrude;\\nvarying lowp vec4 v_color;\\nvarying lowp float v_antialiasblur;\\n\\nfloat evaluate_zoom_function_1(const vec4 values, const float t) {\\n    if (t < 1.0) {\\n        return mix(values[0], values[1], t);\\n    } else if (t < 2.0) {\\n        return mix(values[1], values[2], t - 1.0);\\n    } else {\\n        return mix(values[2], values[3], t - 2.0);\\n    }\\n}\\n\\nvec4 evaluate_zoom_function_4(const vec4 value0, const vec4 value1, const vec4 value2, const vec4 value3, const float t) {\\n    if (t < 1.0) {\\n        return mix(value0, value1, t);\\n    } else if (t < 2.0) {\\n        return mix(value1, value2, t - 1.0);\\n    } else {\\n        return mix(value2, value3, t - 2.0);\\n    }\\n}\\n\\nvoid main(void) {\\n\\n#ifdef ATTRIBUTE_A_RADIUS\\n    mediump float radius = a_radius / 10.0;\\n#elif defined ATTRIBUTE_ZOOM_FUNCTION_A_RADIUS\\n    mediump float radius = evaluate_zoom_function_1(a_radius, u_radius_t) / 10.0;\\n#else\\n    mediump float radius = a_radius;\\n#endif\\n\\n    // unencode the extrusion vector that we snuck into the a_pos vector\\n    v_extrude = vec2(mod(a_pos, 2.0) * 2.0 - 1.0);\\n\\n    vec2 extrude = v_extrude * radius * u_extrude_scale;\\n    // multiply a_pos by 0.5, since we had it * 2 in order to sneak\\n    // in extrusion data\\n    gl_Position = u_matrix * vec4(floor(a_pos * 0.5), 0, 1);\\n\\n    // gl_Position is divided by gl_Position.w after this shader runs.\\n    // Multiply the extrude by it so that it isn't affected by it.\\n    gl_Position.xy += extrude * gl_Position.w;\\n\\n#ifdef ATTRIBUTE_A_COLOR\\n    v_color = a_color / 255.0;\\n#elif defined ATTRIBUTE_ZOOM_FUNCTION_A_COLOR0\\n    v_color = evaluate_zoom_function_4(a_color0, a_color1, a_color2, a_color3, u_color_t) / 255.0;\\n#else\\n    v_color = a_color;\\n#endif\\n\\n    // This is a minimum blur distance that serves as a faux-antialiasing for\\n    // the circle. since blur is a ratio of the circle's size and the intent is\\n    // to keep the blur at roughly 1px, the two are inversely related.\\n    v_antialiasblur = 1.0 / u_devicepixelratio / radius;\\n}\\n\"},line:{fragmentSource:\"precision mediump float;\\n\\nuniform vec2 u_linewidth;\\nuniform lowp vec4 u_color;\\nuniform lowp float u_opacity;\\nuniform float u_blur;\\n\\nvarying vec2 v_normal;\\nvarying float v_linesofar;\\nvarying float v_gamma_scale;\\n\\nvoid main() {\\n    // Calculate the distance of the pixel from the line in pixels.\\n    float dist = length(v_normal) * u_linewidth.s;\\n\\n    // Calculate the antialiasing fade factor. This is either when fading in\\n    // the line in case of an offset line (v_linewidth.t) or when fading out\\n    // (v_linewidth.s)\\n    float blur = u_blur * v_gamma_scale;\\n    float alpha = clamp(min(dist - (u_linewidth.t - blur), u_linewidth.s - dist) / blur, 0.0, 1.0);\\n\\n    gl_FragColor = u_color * (alpha * u_opacity);\\n\\n#ifdef OVERDRAW_INSPECTOR\\n    gl_FragColor = vec4(1.0);\\n#endif\\n}\\n\",vertexSource:\"precision highp float;\\n\\n// floor(127 / 2) == 63.0\\n// the maximum allowed miter limit is 2.0 at the moment. the extrude normal is\\n// stored in a byte (-128..127). we scale regular normals up to length 63, but\\n// there are also \\\"special\\\" normals that have a bigger length (of up to 126 in\\n// this case).\\n// #define scale 63.0\\n#define scale 0.015873016\\n\\nattribute vec2 a_pos;\\nattribute vec4 a_data;\\n\\nuniform mat4 u_matrix;\\nuniform float u_ratio;\\nuniform mediump vec2 u_linewidth;\\nuniform float u_extra;\\nuniform mat2 u_antialiasingmatrix;\\nuniform mediump float u_offset;\\n\\nvarying vec2 v_normal;\\nvarying float v_linesofar;\\nvarying float v_gamma_scale;\\n\\nvoid main() {\\n    vec2 a_extrude = a_data.xy - 128.0;\\n    float a_direction = mod(a_data.z, 4.0) - 1.0;\\n\\n    // We store the texture normals in the most insignificant bit\\n    // transform y so that 0 => -1 and 1 => 1\\n    // In the texture normal, x is 0 if the normal points straight up/down and 1 if it's a round cap\\n    // y is 1 if the normal points up, and -1 if it points down\\n    mediump vec2 normal = mod(a_pos, 2.0);\\n    normal.y = sign(normal.y - 0.5);\\n    v_normal = normal;\\n\\n    // Scale the extrusion vector down to a normal and then up by the line width\\n    // of this vertex.\\n    mediump vec4 dist = vec4(u_linewidth.s * a_extrude * scale, 0.0, 0.0);\\n\\n    // Calculate the offset when drawing a line that is to the side of the actual line.\\n    // We do this by creating a vector that points towards the extrude, but rotate\\n    // it when we're drawing round end points (a_direction = -1 or 1) since their\\n    // extrude vector points in another direction.\\n    mediump float u = 0.5 * a_direction;\\n    mediump float t = 1.0 - abs(u);\\n    mediump vec2 offset = u_offset * a_extrude * scale * normal.y * mat2(t, -u, u, t);\\n\\n    // Remove the texture normal bit of the position before scaling it with the\\n    // model/view matrix.\\n    gl_Position = u_matrix * vec4(floor(a_pos * 0.5) + (offset + dist.xy) / u_ratio, 0.0, 1.0);\\n\\n    // position of y on the screen\\n    float y = gl_Position.y / gl_Position.w;\\n\\n    // how much features are squished in the y direction by the tilt\\n    float squish_scale = length(a_extrude) / length(u_antialiasingmatrix * a_extrude);\\n\\n    // how much features are squished in all directions by the perspectiveness\\n    float perspective_scale = 1.0 / (1.0 - min(y * u_extra, 0.9));\\n\\n    v_gamma_scale = perspective_scale * squish_scale;\\n}\\n\"},linepattern:{fragmentSource:\"precision mediump float;\\n\\nuniform vec2 u_linewidth;\\nuniform float u_point;\\nuniform float u_blur;\\n\\nuniform vec2 u_pattern_size_a;\\nuniform vec2 u_pattern_size_b;\\nuniform vec2 u_pattern_tl_a;\\nuniform vec2 u_pattern_br_a;\\nuniform vec2 u_pattern_tl_b;\\nuniform vec2 u_pattern_br_b;\\nuniform float u_fade;\\nuniform float u_opacity;\\n\\nuniform sampler2D u_image;\\n\\nvarying vec2 v_normal;\\nvarying float v_linesofar;\\nvarying float v_gamma_scale;\\n\\nvoid main() {\\n    // Calculate the distance of the pixel from the line in pixels.\\n    float dist = length(v_normal) * u_linewidth.s;\\n\\n    // Calculate the antialiasing fade factor. This is either when fading in\\n    // the line in case of an offset line (v_linewidth.t) or when fading out\\n    // (v_linewidth.s)\\n    float blur = u_blur * v_gamma_scale;\\n    float alpha = clamp(min(dist - (u_linewidth.t - blur), u_linewidth.s - dist) / blur, 0.0, 1.0);\\n\\n    float x_a = mod(v_linesofar / u_pattern_size_a.x, 1.0);\\n    float x_b = mod(v_linesofar / u_pattern_size_b.x, 1.0);\\n    float y_a = 0.5 + (v_normal.y * u_linewidth.s / u_pattern_size_a.y);\\n    float y_b = 0.5 + (v_normal.y * u_linewidth.s / u_pattern_size_b.y);\\n    vec2 pos = mix(u_pattern_tl_a, u_pattern_br_a, vec2(x_a, y_a));\\n    vec2 pos2 = mix(u_pattern_tl_b, u_pattern_br_b, vec2(x_b, y_b));\\n\\n    vec4 color = mix(texture2D(u_image, pos), texture2D(u_image, pos2), u_fade);\\n\\n    alpha *= u_opacity;\\n\\n    gl_FragColor = color * alpha;\\n\\n#ifdef OVERDRAW_INSPECTOR\\n    gl_FragColor = vec4(1.0);\\n#endif\\n}\\n\",vertexSource:\"precision highp float;\\n\\n// floor(127 / 2) == 63.0\\n// the maximum allowed miter limit is 2.0 at the moment. the extrude normal is\\n// stored in a byte (-128..127). we scale regular normals up to length 63, but\\n// there are also \\\"special\\\" normals that have a bigger length (of up to 126 in\\n// this case).\\n// #define scale 63.0\\n#define scale 0.015873016\\n\\n// We scale the distance before adding it to the buffers so that we can store\\n// long distances for long segments. Use this value to unscale the distance.\\n#define LINE_DISTANCE_SCALE 2.0\\n\\nattribute vec2 a_pos;\\nattribute vec4 a_data;\\n\\nuniform mat4 u_matrix;\\nuniform mediump float u_ratio;\\nuniform mediump vec2 u_linewidth;\\nuniform float u_extra;\\nuniform mat2 u_antialiasingmatrix;\\nuniform mediump float u_offset;\\n\\nvarying vec2 v_normal;\\nvarying float v_linesofar;\\nvarying float v_gamma_scale;\\n\\nvoid main() {\\n    vec2 a_extrude = a_data.xy - 128.0;\\n    float a_direction = mod(a_data.z, 4.0) - 1.0;\\n    float a_linesofar = (floor(a_data.z / 4.0) + a_data.w * 64.0) * LINE_DISTANCE_SCALE;\\n\\n    // We store the texture normals in the most insignificant bit\\n    // transform y so that 0 => -1 and 1 => 1\\n    // In the texture normal, x is 0 if the normal points straight up/down and 1 if it's a round cap\\n    // y is 1 if the normal points up, and -1 if it points down\\n    mediump vec2 normal = mod(a_pos, 2.0);\\n    normal.y = sign(normal.y - 0.5);\\n    v_normal = normal;\\n\\n    // Scale the extrusion vector down to a normal and then up by the line width\\n    // of this vertex.\\n    mediump vec2 extrude = a_extrude * scale;\\n    mediump vec2 dist = u_linewidth.s * extrude;\\n\\n    // Calculate the offset when drawing a line that is to the side of the actual line.\\n    // We do this by creating a vector that points towards the extrude, but rotate\\n    // it when we're drawing round end points (a_direction = -1 or 1) since their\\n    // extrude vector points in another direction.\\n    mediump float u = 0.5 * a_direction;\\n    mediump float t = 1.0 - abs(u);\\n    mediump vec2 offset = u_offset * a_extrude * scale * normal.y * mat2(t, -u, u, t);\\n\\n    // Remove the texture normal bit of the position before scaling it with the\\n    // model/view matrix.\\n    gl_Position = u_matrix * vec4(floor(a_pos * 0.5) + (offset + dist.xy) / u_ratio, 0.0, 1.0);\\n    v_linesofar = a_linesofar;\\n\\n    // position of y on the screen\\n    float y = gl_Position.y / gl_Position.w;\\n\\n    // how much features are squished in the y direction by the tilt\\n    float squish_scale = length(a_extrude) / length(u_antialiasingmatrix * a_extrude);\\n\\n    // how much features are squished in all directions by the perspectiveness\\n    float perspective_scale = 1.0 / (1.0 - min(y * u_extra, 0.9));\\n\\n    v_gamma_scale = perspective_scale * squish_scale;\\n}\\n\"},linesdfpattern:{fragmentSource:\"precision mediump float;\\n\\nuniform vec2 u_linewidth;\\nuniform lowp vec4 u_color;\\nuniform lowp float u_opacity;\\nuniform float u_blur;\\nuniform sampler2D u_image;\\nuniform float u_sdfgamma;\\nuniform float u_mix;\\n\\nvarying vec2 v_normal;\\nvarying vec2 v_tex_a;\\nvarying vec2 v_tex_b;\\nvarying float v_gamma_scale;\\n\\nvoid main() {\\n    // Calculate the distance of the pixel from the line in pixels.\\n    float dist = length(v_normal) * u_linewidth.s;\\n\\n    // Calculate the antialiasing fade factor. This is either when fading in\\n    // the line in case of an offset line (v_linewidth.t) or when fading out\\n    // (v_linewidth.s)\\n    float blur = u_blur * v_gamma_scale;\\n    float alpha = clamp(min(dist - (u_linewidth.t - blur), u_linewidth.s - dist) / blur, 0.0, 1.0);\\n\\n    float sdfdist_a = texture2D(u_image, v_tex_a).a;\\n    float sdfdist_b = texture2D(u_image, v_tex_b).a;\\n    float sdfdist = mix(sdfdist_a, sdfdist_b, u_mix);\\n    alpha *= smoothstep(0.5 - u_sdfgamma, 0.5 + u_sdfgamma, sdfdist);\\n\\n    gl_FragColor = u_color * (alpha * u_opacity);\\n\\n#ifdef OVERDRAW_INSPECTOR\\n    gl_FragColor = vec4(1.0);\\n#endif\\n}\\n\",vertexSource:\"precision highp float;\\n\\n// floor(127 / 2) == 63.0\\n// the maximum allowed miter limit is 2.0 at the moment. the extrude normal is\\n// stored in a byte (-128..127). we scale regular normals up to length 63, but\\n// there are also \\\"special\\\" normals that have a bigger length (of up to 126 in\\n// this case).\\n// #define scale 63.0\\n#define scale 0.015873016\\n\\n// We scale the distance before adding it to the buffers so that we can store\\n// long distances for long segments. Use this value to unscale the distance.\\n#define LINE_DISTANCE_SCALE 2.0\\n\\nattribute vec2 a_pos;\\nattribute vec4 a_data;\\n\\nuniform mat4 u_matrix;\\nuniform mediump vec2 u_linewidth;\\nuniform mediump float u_ratio;\\nuniform vec2 u_patternscale_a;\\nuniform float u_tex_y_a;\\nuniform vec2 u_patternscale_b;\\nuniform float u_tex_y_b;\\nuniform float u_extra;\\nuniform mat2 u_antialiasingmatrix;\\nuniform mediump float u_offset;\\n\\nvarying vec2 v_normal;\\nvarying vec2 v_tex_a;\\nvarying vec2 v_tex_b;\\nvarying float v_gamma_scale;\\n\\nvoid main() {\\n    vec2 a_extrude = a_data.xy - 128.0;\\n    float a_direction = mod(a_data.z, 4.0) - 1.0;\\n    float a_linesofar = (floor(a_data.z / 4.0) + a_data.w * 64.0) * LINE_DISTANCE_SCALE;\\n\\n    // We store the texture normals in the most insignificant bit\\n    // transform y so that 0 => -1 and 1 => 1\\n    // In the texture normal, x is 0 if the normal points straight up/down and 1 if it's a round cap\\n    // y is 1 if the normal points up, and -1 if it points down\\n    mediump vec2 normal = mod(a_pos, 2.0);\\n    normal.y = sign(normal.y - 0.5);\\n    v_normal = normal;\\n\\n    // Scale the extrusion vector down to a normal and then up by the line width\\n    // of this vertex.\\n    mediump vec4 dist = vec4(u_linewidth.s * a_extrude * scale, 0.0, 0.0);\\n\\n    // Calculate the offset when drawing a line that is to the side of the actual line.\\n    // We do this by creating a vector that points towards the extrude, but rotate\\n    // it when we're drawing round end points (a_direction = -1 or 1) since their\\n    // extrude vector points in another direction.\\n    mediump float u = 0.5 * a_direction;\\n    mediump float t = 1.0 - abs(u);\\n    mediump vec2 offset = u_offset * a_extrude * scale * normal.y * mat2(t, -u, u, t);\\n\\n    // Remove the texture normal bit of the position before scaling it with the\\n    // model/view matrix.\\n    gl_Position = u_matrix * vec4(floor(a_pos * 0.5) + (offset + dist.xy) / u_ratio, 0.0, 1.0);\\n\\n    v_tex_a = vec2(a_linesofar * u_patternscale_a.x, normal.y * u_patternscale_a.y + u_tex_y_a);\\n    v_tex_b = vec2(a_linesofar * u_patternscale_b.x, normal.y * u_patternscale_b.y + u_tex_y_b);\\n\\n    // position of y on the screen\\n    float y = gl_Position.y / gl_Position.w;\\n\\n    // how much features are squished in the y direction by the tilt\\n    float squish_scale = length(a_extrude) / length(u_antialiasingmatrix * a_extrude);\\n\\n    // how much features are squished in all directions by the perspectiveness\\n    float perspective_scale = 1.0 / (1.0 - min(y * u_extra, 0.9));\\n\\n    v_gamma_scale = perspective_scale * squish_scale;\\n}\\n\"\n},outline:{fragmentSource:\"precision mediump float;\\n\\nuniform lowp vec4 u_color;\\nuniform lowp float u_opacity;\\n\\nvarying vec2 v_pos;\\n\\nvoid main() {\\n    float dist = length(v_pos - gl_FragCoord.xy);\\n    float alpha = smoothstep(1.0, 0.0, dist);\\n    gl_FragColor = u_color * (alpha * u_opacity);\\n\\n#ifdef OVERDRAW_INSPECTOR\\n    gl_FragColor = vec4(1.0);\\n#endif\\n}\\n\",vertexSource:\"precision highp float;\\n\\nattribute vec2 a_pos;\\n\\nuniform mat4 u_matrix;\\nuniform vec2 u_world;\\n\\nvarying vec2 v_pos;\\n\\nvoid main() {\\n    gl_Position = u_matrix * vec4(a_pos, 0, 1);\\n    v_pos = (gl_Position.xy/gl_Position.w + 1.0) / 2.0 * u_world;\\n}\\n\"},outlinepattern:{fragmentSource:\"precision mediump float;\\n\\nuniform float u_opacity;\\nuniform vec2 u_pattern_tl_a;\\nuniform vec2 u_pattern_br_a;\\nuniform vec2 u_pattern_tl_b;\\nuniform vec2 u_pattern_br_b;\\nuniform float u_mix;\\n\\nuniform sampler2D u_image;\\n\\nvarying vec2 v_pos_a;\\nvarying vec2 v_pos_b;\\nvarying vec2 v_pos;\\n\\nvoid main() {\\n    vec2 imagecoord = mod(v_pos_a, 1.0);\\n    vec2 pos = mix(u_pattern_tl_a, u_pattern_br_a, imagecoord);\\n    vec4 color1 = texture2D(u_image, pos);\\n\\n    vec2 imagecoord_b = mod(v_pos_b, 1.0);\\n    vec2 pos2 = mix(u_pattern_tl_b, u_pattern_br_b, imagecoord_b);\\n    vec4 color2 = texture2D(u_image, pos2);\\n\\n    // find distance to outline for alpha interpolation\\n\\n    float dist = length(v_pos - gl_FragCoord.xy);\\n    float alpha = smoothstep(1.0, 0.0, dist);\\n    \\n\\n    gl_FragColor = mix(color1, color2, u_mix) * alpha * u_opacity;\\n\\n#ifdef OVERDRAW_INSPECTOR\\n    gl_FragColor = vec4(1.0);\\n#endif\\n}\\n\",vertexSource:\"precision highp float;\\n\\nuniform vec2 u_patternscale_a;\\nuniform vec2 u_patternscale_b;\\nuniform vec2 u_offset_a;\\nuniform vec2 u_offset_b;\\n\\nattribute vec2 a_pos;\\n\\nuniform mat4 u_matrix;\\nuniform vec2 u_world;\\n\\nvarying vec2 v_pos_a;\\nvarying vec2 v_pos_b;\\nvarying vec2 v_pos;\\n\\n\\nvoid main() {\\n    gl_Position = u_matrix * vec4(a_pos, 0, 1);\\n    v_pos_a = u_patternscale_a * a_pos + u_offset_a;\\n    v_pos_b = u_patternscale_b * a_pos + u_offset_b;\\n    v_pos = (gl_Position.xy/gl_Position.w + 1.0) / 2.0 * u_world;\\n}\\n\"},pattern:{fragmentSource:\"precision mediump float;\\n\\nuniform float u_opacity;\\nuniform vec2 u_pattern_tl_a;\\nuniform vec2 u_pattern_br_a;\\nuniform vec2 u_pattern_tl_b;\\nuniform vec2 u_pattern_br_b;\\nuniform float u_mix;\\n\\nuniform sampler2D u_image;\\n\\nvarying vec2 v_pos_a;\\nvarying vec2 v_pos_b;\\n\\nvoid main() {\\n\\n    vec2 imagecoord = mod(v_pos_a, 1.0);\\n    vec2 pos = mix(u_pattern_tl_a, u_pattern_br_a, imagecoord);\\n    vec4 color1 = texture2D(u_image, pos);\\n\\n    vec2 imagecoord_b = mod(v_pos_b, 1.0);\\n    vec2 pos2 = mix(u_pattern_tl_b, u_pattern_br_b, imagecoord_b);\\n    vec4 color2 = texture2D(u_image, pos2);\\n\\n    gl_FragColor = mix(color1, color2, u_mix) * u_opacity;\\n\\n#ifdef OVERDRAW_INSPECTOR\\n    gl_FragColor = vec4(1.0);\\n#endif\\n}\\n\",vertexSource:\"precision highp float;\\n\\nuniform mat4 u_matrix;\\nuniform vec2 u_patternscale_a;\\nuniform vec2 u_patternscale_b;\\nuniform vec2 u_offset_a;\\nuniform vec2 u_offset_b;\\n\\nattribute vec2 a_pos;\\n\\nvarying vec2 v_pos_a;\\nvarying vec2 v_pos_b;\\n\\nvoid main() {\\n    gl_Position = u_matrix * vec4(a_pos, 0, 1);\\n    v_pos_a = u_patternscale_a * a_pos + u_offset_a;\\n    v_pos_b = u_patternscale_b * a_pos + u_offset_b;\\n}\\n\"},raster:{fragmentSource:\"precision mediump float;\\n\\nuniform float u_opacity0;\\nuniform float u_opacity1;\\nuniform sampler2D u_image0;\\nuniform sampler2D u_image1;\\nvarying vec2 v_pos0;\\nvarying vec2 v_pos1;\\n\\nuniform float u_brightness_low;\\nuniform float u_brightness_high;\\n\\nuniform float u_saturation_factor;\\nuniform float u_contrast_factor;\\nuniform vec3 u_spin_weights;\\n\\nvoid main() {\\n\\n    // read and cross-fade colors from the main and parent tiles\\n    vec4 color0 = texture2D(u_image0, v_pos0);\\n    vec4 color1 = texture2D(u_image1, v_pos1);\\n    vec4 color = color0 * u_opacity0 + color1 * u_opacity1;\\n    vec3 rgb = color.rgb;\\n\\n    // spin\\n    rgb = vec3(\\n        dot(rgb, u_spin_weights.xyz),\\n        dot(rgb, u_spin_weights.zxy),\\n        dot(rgb, u_spin_weights.yzx));\\n\\n    // saturation\\n    float average = (color.r + color.g + color.b) / 3.0;\\n    rgb += (average - rgb) * u_saturation_factor;\\n\\n    // contrast\\n    rgb = (rgb - 0.5) * u_contrast_factor + 0.5;\\n\\n    // brightness\\n    vec3 u_high_vec = vec3(u_brightness_low, u_brightness_low, u_brightness_low);\\n    vec3 u_low_vec = vec3(u_brightness_high, u_brightness_high, u_brightness_high);\\n\\n    gl_FragColor = vec4(mix(u_high_vec, u_low_vec, rgb), color.a);\\n\\n#ifdef OVERDRAW_INSPECTOR\\n    gl_FragColor = vec4(1.0);\\n#endif\\n}\\n\",vertexSource:\"precision highp float;\\n\\nuniform mat4 u_matrix;\\nuniform vec2 u_tl_parent;\\nuniform float u_scale_parent;\\nuniform float u_buffer_scale;\\n\\nattribute vec2 a_pos;\\nattribute vec2 a_texture_pos;\\n\\nvarying vec2 v_pos0;\\nvarying vec2 v_pos1;\\n\\nvoid main() {\\n    gl_Position = u_matrix * vec4(a_pos, 0, 1);\\n    v_pos0 = (((a_texture_pos / 32767.0) - 0.5) / u_buffer_scale ) + 0.5;\\n    v_pos1 = (v_pos0 * u_scale_parent) + u_tl_parent;\\n}\\n\"},icon:{fragmentSource:\"precision mediump float;\\n\\nuniform sampler2D u_texture;\\nuniform sampler2D u_fadetexture;\\nuniform lowp float u_opacity;\\n\\nvarying vec2 v_tex;\\nvarying vec2 v_fade_tex;\\n\\nvoid main() {\\n    lowp float alpha = texture2D(u_fadetexture, v_fade_tex).a * u_opacity;\\n    gl_FragColor = texture2D(u_texture, v_tex) * alpha;\\n\\n#ifdef OVERDRAW_INSPECTOR\\n    gl_FragColor = vec4(1.0);\\n#endif\\n}\\n\",vertexSource:\"precision highp float;\\n\\nattribute vec2 a_pos;\\nattribute vec2 a_offset;\\nattribute vec4 a_data1;\\nattribute vec4 a_data2;\\n\\n\\n// matrix is for the vertex position, exmatrix is for rotating and projecting\\n// the extrusion vector.\\nuniform mat4 u_matrix;\\n\\nuniform mediump float u_zoom;\\nuniform bool u_skewed;\\nuniform float u_extra;\\nuniform vec2 u_extrude_scale;\\n\\nuniform vec2 u_texsize;\\n\\nvarying vec2 v_tex;\\nvarying vec2 v_fade_tex;\\n\\nvoid main() {\\n    vec2 a_tex = a_data1.xy;\\n    mediump float a_labelminzoom = a_data1[2];\\n    mediump vec2 a_zoom = a_data2.st;\\n    mediump float a_minzoom = a_zoom[0];\\n    mediump float a_maxzoom = a_zoom[1];\\n\\n    // u_zoom is the current zoom level adjusted for the change in font size\\n    mediump float z = 2.0 - step(a_minzoom, u_zoom) - (1.0 - step(a_maxzoom, u_zoom));\\n\\n    vec2 extrude = u_extrude_scale * (a_offset / 64.0);\\n    if (u_skewed) {\\n        gl_Position = u_matrix * vec4(a_pos + extrude, 0, 1);\\n        gl_Position.z += z * gl_Position.w;\\n    } else {\\n        gl_Position = u_matrix * vec4(a_pos, 0, 1) + vec4(extrude, 0, 0);\\n    }\\n\\n    v_tex = a_tex / u_texsize;\\n    v_fade_tex = vec2(a_labelminzoom / 255.0, 0.0);\\n}\\n\"},sdf:{fragmentSource:\"precision mediump float;\\n\\nuniform sampler2D u_texture;\\nuniform sampler2D u_fadetexture;\\nuniform lowp vec4 u_color;\\nuniform lowp float u_opacity;\\nuniform lowp float u_buffer;\\nuniform lowp float u_gamma;\\n\\nvarying vec2 v_tex;\\nvarying vec2 v_fade_tex;\\nvarying float v_gamma_scale;\\n\\nvoid main() {\\n    lowp float dist = texture2D(u_texture, v_tex).a;\\n    lowp float fade_alpha = texture2D(u_fadetexture, v_fade_tex).a;\\n    lowp float gamma = u_gamma * v_gamma_scale;\\n    lowp float alpha = smoothstep(u_buffer - gamma, u_buffer + gamma, dist) * fade_alpha;\\n    gl_FragColor = u_color * (alpha * u_opacity);\\n\\n#ifdef OVERDRAW_INSPECTOR\\n    gl_FragColor = vec4(1.0);\\n#endif\\n}\\n\",vertexSource:\"precision highp float;\\n\\nattribute vec2 a_pos;\\nattribute vec2 a_offset;\\nattribute vec4 a_data1;\\nattribute vec4 a_data2;\\n\\n\\n// matrix is for the vertex position, exmatrix is for rotating and projecting\\n// the extrusion vector.\\nuniform mat4 u_matrix;\\n\\nuniform mediump float u_zoom;\\nuniform bool u_skewed;\\nuniform float u_extra;\\nuniform vec2 u_extrude_scale;\\n\\nuniform vec2 u_texsize;\\n\\nvarying vec2 v_tex;\\nvarying vec2 v_fade_tex;\\nvarying float v_gamma_scale;\\n\\nvoid main() {\\n    vec2 a_tex = a_data1.xy;\\n    mediump float a_labelminzoom = a_data1[2];\\n    mediump vec2 a_zoom = a_data2.st;\\n    mediump float a_minzoom = a_zoom[0];\\n    mediump float a_maxzoom = a_zoom[1];\\n\\n    // u_zoom is the current zoom level adjusted for the change in font size\\n    mediump float z = 2.0 - step(a_minzoom, u_zoom) - (1.0 - step(a_maxzoom, u_zoom));\\n\\n    vec2 extrude = u_extrude_scale * (a_offset / 64.0);\\n    if (u_skewed) {\\n        gl_Position = u_matrix * vec4(a_pos + extrude, 0, 1);\\n        gl_Position.z += z * gl_Position.w;\\n    } else {\\n        gl_Position = u_matrix * vec4(a_pos, 0, 1) + vec4(extrude, 0, 0);\\n    }\\n\\n    // position of y on the screen\\n    float y = gl_Position.y / gl_Position.w;\\n    // how much features are squished in all directions by the perspectiveness\\n    float perspective_scale = 1.0 / (1.0 - y * u_extra);\\n    v_gamma_scale = perspective_scale;\\n\\n    v_tex = a_tex / u_texsize;\\n    v_fade_tex = vec2(a_labelminzoom / 255.0, 0.0);\\n}\\n\"},collisionbox:{fragmentSource:\"precision mediump float;\\n\\nuniform float u_zoom;\\nuniform float u_maxzoom;\\n\\nvarying float v_max_zoom;\\nvarying float v_placement_zoom;\\n\\nvoid main() {\\n\\n    float alpha = 0.5;\\n\\n    gl_FragColor = vec4(0.0, 1.0, 0.0, 1.0) * alpha;\\n\\n    if (v_placement_zoom > u_zoom) {\\n        gl_FragColor = vec4(1.0, 0.0, 0.0, 1.0) * alpha;\\n    }\\n\\n    if (u_zoom >= v_max_zoom) {\\n        gl_FragColor = vec4(0.0, 0.0, 0.0, 1.0) * alpha * 0.25;\\n    }\\n\\n    if (v_placement_zoom >= u_maxzoom) {\\n        gl_FragColor = vec4(0.0, 0.0, 1.0, 1.0) * alpha * 0.2;\\n    }\\n}\\n\",vertexSource:\"precision highp float;\\n\\nattribute vec2 a_pos;\\nattribute vec2 a_extrude;\\nattribute vec2 a_data;\\n\\nuniform mat4 u_matrix;\\nuniform float u_scale;\\n\\nvarying float v_max_zoom;\\nvarying float v_placement_zoom;\\n\\nvoid main() {\\n     gl_Position = u_matrix * vec4(a_pos + a_extrude / u_scale, 0.0, 1.0);\\n\\n     v_max_zoom = a_data.x;\\n     v_placement_zoom = a_data.y;\\n}\\n\"}};e.exports._createProgram=function(t,e){var r=this.gl,a=r.createProgram(),s=o[t],l=\"\";if(e)for(var u=0;u<e.length;u++)l+=\"#define \"+e[u]+\"\\n\";var c=r.createShader(r.FRAGMENT_SHADER);r.shaderSource(c,l+s.fragmentSource),r.compileShader(c),n(r.getShaderParameter(c,r.COMPILE_STATUS),r.getShaderInfoLog(c)),r.attachShader(a,c);var h=r.createShader(r.VERTEX_SHADER);r.shaderSource(h,l+s.vertexSource),r.compileShader(h),n(r.getShaderParameter(h,r.COMPILE_STATUS),r.getShaderInfoLog(h)),r.attachShader(a,h),r.linkProgram(a),n(r.getProgramParameter(a,r.LINK_STATUS),r.getProgramInfoLog(a));for(var f={},d=r.getProgramParameter(a,r.ACTIVE_ATTRIBUTES),p=0;d>p;p++){var v=r.getActiveAttrib(a,p);f[v.name]=p}for(var m={},g=r.getProgramParameter(a,r.ACTIVE_UNIFORMS),y=0;g>y;y++){var b=r.getActiveUniform(a,y);m[b.name]=r.getUniformLocation(a,b.name)}return i.extend({program:a,definition:s,attributes:f,numAttributes:d},f,m)},e.exports._createProgramCached=function(t,e){this.cache=this.cache||{},this._showOverdrawInspector&&(e=e||[],e.push(\"OVERDRAW_INSPECTOR\"));var r=JSON.stringify({name:t,macros:e});return this.cache[r]||(this.cache[r]=this._createProgram(t,e)),this.cache[r]},e.exports.useProgram=function(t,e){var r=this.gl,n=this._createProgramCached(t,e),i=this.currentProgram;return i!==n&&(r.useProgram(n.program),this.currentProgram=n),n}},{\"../../util/util\":349,assert:52,path:59}],273:[function(t,e,r){\"use strict\";function n(){this.boundProgram=null,this.boundVertexBuffer=null,this.boundVertexBuffer2=null,this.boundElementBuffer=null,this.vao=null}var i=t(\"assert\");e.exports=n;var o=!1;n.prototype.bind=function(t,e,r,n,a){var s=t.extVertexArrayObject;if(void 0===s&&(s=t.extVertexArrayObject=t.getExtension(\"OES_vertex_array_object\")),s?(this.vao||(this.vao=s.createVertexArrayOES()),s.bindVertexArrayOES(this.vao)):o||(console.warn(\"Not using VertexArrayObject extension.\"),o=!0),this.boundProgram)i(this.boundProgram===e,\"trying to bind a VAO to a different shader\"),i(this.boundVertexBuffer===r,\"trying to bind a VAO to a different vertex buffer\"),i(this.boundVertexBuffer2===a,\"trying to bind a VAO to a different vertex buffer\"),i(this.boundElementBuffer===n,\"trying to bind a VAO to a different element buffer\");else{var l,u=s?0:t.currentNumAttributes||0,c=e.numAttributes;for(l=u;c>l;l++)t.enableVertexAttribArray(l);if(!s){for(i(l>0),l=c;u>l;l++)t.disableVertexAttribArray(l);t.currentNumAttributes=c}r.bind(t),r.setVertexAttribPointers(t,e),a&&(a.bind(t),a.setVertexAttribPointers(t,e)),n&&n.bind(t),s&&(this.boundProgram=e,this.boundVertexBuffer=r,this.boundVertexBuffer2=a,this.boundElementBuffer=n)}},n.prototype.unbind=function(t){var e=t.extVertexArrayObject;e&&e.bindVertexArrayOES(null)},n.prototype.destroy=function(t){var e=t.extVertexArrayObject;e&&this.vao&&(e.deleteVertexArrayOES(this.vao),this.vao=null)}},{assert:52}],274:[function(t,e,r){\"use strict\";function n(t){t=t||{},this._data=t.data,void 0!==t.maxzoom&&(this.maxzoom=t.maxzoom);var e=u/this.tileSize;this.geojsonVtOptions={buffer:(void 0!==t.buffer?t.buffer:128)*e,tolerance:(void 0!==t.tolerance?t.tolerance:.375)*e,extent:u,maxZoom:this.maxzoom},this.cluster=t.cluster||!1,this.superclusterOptions={maxZoom:Math.min(t.clusterMaxZoom,this.maxzoom-1)||this.maxzoom-1,extent:u,radius:(t.clusterRadius||50)*e,log:!1},this._pyramid=new a({tileSize:this.tileSize,minzoom:this.minzoom,maxzoom:this.maxzoom,reparseOverscaled:!0,load:this._loadTile.bind(this),abort:this._abortTile.bind(this),unload:this._unloadTile.bind(this),add:this._addTile.bind(this),remove:this._removeTile.bind(this),redoPlacement:this._redoTilePlacement.bind(this)})}var i=t(\"../util/util\"),o=t(\"../util/evented\"),a=t(\"./tile_pyramid\"),s=t(\"./source\"),l=t(\"resolve-url\"),u=t(\"../data/bucket\").EXTENT;e.exports=n,n.prototype=i.inherit(o,{minzoom:0,maxzoom:18,tileSize:512,_dirty:!0,isTileClipped:!0,setData:function(t){return this._data=t,this._dirty=!0,this.fire(\"change\"),this.map&&this.update(this.map.transform),this},onAdd:function(t){this.map=t},loaded:function(){return this._loaded&&this._pyramid.loaded()},update:function(t){this._dirty&&this._updateData(),this._loaded&&this._pyramid.update(this.used,t)},reload:function(){this._loaded&&this._pyramid.reload()},serialize:function(){return{type:\"geojson\",data:this._data}},getVisibleCoordinates:s._getVisibleCoordinates,getTile:s._getTile,queryRenderedFeatures:s._queryRenderedVectorFeatures,querySourceFeatures:s._querySourceFeatures,_updateData:function(){this._dirty=!1;var t={tileSize:this.tileSize,source:this.id,geojsonVtOptions:this.geojsonVtOptions,cluster:this.cluster,superclusterOptions:this.superclusterOptions},e=this._data;\"string\"==typeof e?t.url=\"undefined\"!=typeof window?l(window.location.href,e):e:t.data=JSON.stringify(e),this.workerID=this.dispatcher.send(\"parse geojson\",t,function(t){this._loaded=!0,t?this.fire(\"error\",{error:t}):(this._pyramid.reload(),this.fire(\"change\"))}.bind(this))},_loadTile:function(t){var e=t.coord.z>this.maxzoom?Math.pow(2,t.coord.z-this.maxzoom):1,r={uid:t.uid,coord:t.coord,zoom:t.coord.z,maxZoom:this.maxzoom,tileSize:this.tileSize,source:this.id,overscaling:e,angle:this.map.transform.angle,pitch:this.map.transform.pitch,showCollisionBoxes:this.map.showCollisionBoxes};t.workerID=this.dispatcher.send(\"load geojson tile\",r,function(e,r){if(t.unloadVectorData(this.map.painter),!t.aborted){if(e)return void this.fire(\"tile.error\",{tile:t});t.loadVectorData(r,this.map.style),t.redoWhenDone&&(t.redoWhenDone=!1,t.redoPlacement(this)),this.fire(\"tile.load\",{tile:t})}}.bind(this),this.workerID)},_abortTile:function(t){t.aborted=!0},_addTile:function(t){this.fire(\"tile.add\",{tile:t})},_removeTile:function(t){this.fire(\"tile.remove\",{tile:t})},_unloadTile:function(t){t.unloadVectorData(this.map.painter),this.dispatcher.send(\"remove tile\",{uid:t.uid,source:this.id},null,t.workerID)},redoPlacement:s.redoPlacement,_redoTilePlacement:function(t){t.redoPlacement(this)}})},{\"../data/bucket\":247,\"../util/evented\":341,\"../util/util\":349,\"./source\":279,\"./tile_pyramid\":282,\"resolve-url\":405}],275:[function(t,e,r){\"use strict\";function n(t){this.features=t,this.length=t.length,this.extent=s}function i(t){this.type=t.type,this.rawGeometry=1===t.type?[t.geometry]:t.geometry,this.properties=t.tags,this.extent=s}var o=t(\"point-geometry\"),a=t(\"vector-tile\").VectorTileFeature,s=t(\"../data/bucket\").EXTENT;e.exports=n,n.prototype.feature=function(t){return new i(this.features[t])},i.prototype.loadGeometry=function(){var t=this.rawGeometry;this.geometry=[];for(var e=0;e<t.length;e++){for(var r=t[e],n=[],i=0;i<r.length;i++)n.push(new o(r[i][0],r[i][1]));this.geometry.push(n)}return this.geometry},i.prototype.bbox=function(){this.geometry||this.loadGeometry();for(var t=this.geometry,e=1/0,r=-(1/0),n=1/0,i=-(1/0),o=0;o<t.length;o++)for(var a=t[o],s=0;s<a.length;s++){var l=a[s];e=Math.min(e,l.x),r=Math.max(r,l.x),n=Math.min(n,l.y),i=Math.max(i,l.y)}return[e,n,r,i]},i.prototype.toGeoJSON=a.prototype.toGeoJSON},{\"../data/bucket\":247,\"point-geometry\":404,\"vector-tile\":413}],276:[function(t,e,r){\"use strict\";function n(t){this.urls=t.urls,this.coordinates=t.coordinates,c.getImage(t.url,function(e,r){e||(this.image=r,this.image.addEventListener(\"load\",function(){this.map._rerender()}.bind(this)),this._loaded=!0,this.map&&this.setCoordinates(t.coordinates))}.bind(this))}var i=t(\"../util/util\"),o=t(\"./tile\"),a=t(\"./tile_coord\"),s=t(\"../geo/lng_lat\"),l=t(\"point-geometry\"),u=t(\"../util/evented\"),c=t(\"../util/ajax\"),h=t(\"../data/bucket\").EXTENT,f=t(\"../render/draw_raster\").RasterBoundsArray,d=t(\"../data/buffer\"),p=t(\"../render/vertex_array_object\");e.exports=n,n.prototype=i.inherit(u,{onAdd:function(t){this.map=t,this.image&&this.setCoordinates(this.coordinates)},setCoordinates:function(t){this.coordinates=t;var e=this.map,r=t.map(function(t){return e.transform.locationCoordinate(s.convert(t)).zoomTo(0)}),n=this.centerCoord=i.getCoordinatesCenter(r);n.column=Math.round(n.column),n.row=Math.round(n.row);var u=r.map(function(t){var e=t.zoomTo(n.zoom);return new l(Math.round((e.column-n.column)*h),Math.round((e.row-n.row)*h))}),c=32767,v=new f;return v.emplaceBack(u[0].x,u[0].y,0,0),v.emplaceBack(u[1].x,u[1].y,c,0),v.emplaceBack(u[3].x,u[3].y,0,c),v.emplaceBack(u[2].x,u[2].y,c,c),this.tile=new o(new a(n.zoom,n.column,n.row)),this.tile.buckets={},this.tile.boundsBuffer=new d(v.serialize(),f.serialize(),d.BufferType.VERTEX),this.tile.boundsVAO=new p,this.fire(\"change\"),this},loaded:function(){return this.image&&this.image.complete},update:function(){},reload:function(){},prepare:function(){if(this._loaded&&this.loaded()){var t=this.map.painter,e=t.gl;this.tile.texture?(e.bindTexture(e.TEXTURE_2D,this.tile.texture),e.texSubImage2D(e.TEXTURE_2D,0,0,0,e.RGBA,e.UNSIGNED_BYTE,this.image)):(this.tile.texture=e.createTexture(),e.bindTexture(e.TEXTURE_2D,this.tile.texture),e.texParameteri(e.TEXTURE_2D,e.TEXTURE_WRAP_S,e.CLAMP_TO_EDGE),e.texParameteri(e.TEXTURE_2D,e.TEXTURE_WRAP_T,e.CLAMP_TO_EDGE),e.texParameteri(e.TEXTURE_2D,e.TEXTURE_MIN_FILTER,e.LINEAR),e.texParameteri(e.TEXTURE_2D,e.TEXTURE_MAG_FILTER,e.LINEAR),e.texImage2D(e.TEXTURE_2D,0,e.RGBA,e.RGBA,e.UNSIGNED_BYTE,this.image))}},getVisibleCoordinates:function(){return this.tile?[this.tile.coord]:[]},getTile:function(){return this.tile},serialize:function(){return{type:\"image\",urls:this.urls,coordinates:this.coordinates}}})},{\"../data/bucket\":247,\"../data/buffer\":252,\"../geo/lng_lat\":256,\"../render/draw_raster\":267,\"../render/vertex_array_object\":273,\"../util/ajax\":334,\"../util/evented\":341,\"../util/util\":349,\"./tile\":280,\"./tile_coord\":281,\"point-geometry\":404}],277:[function(t,e,r){\"use strict\";var n=t(\"../data/bucket\");e.exports=function(t,e,r){return e*(n.EXTENT/(t.tileSize*Math.pow(2,r-t.coord.z)))}},{\"../data/bucket\":247}],278:[function(t,e,r){\"use strict\";function n(t){i.extend(this,i.pick(t,[\"url\",\"tileSize\"])),s._loadTileJSON.call(this,t)}var i=t(\"../util/util\"),o=t(\"../util/ajax\"),a=t(\"../util/evented\"),s=t(\"./source\"),l=t(\"../util/mapbox\").normalizeTileURL;e.exports=n,n.prototype=i.inherit(a,{minzoom:0,maxzoom:22,roundZoom:!0,tileSize:512,_loaded:!1,onAdd:function(t){this.map=t},loaded:function(){return this._pyramid&&this._pyramid.loaded()},update:function(t){this._pyramid&&this._pyramid.update(this.used,t,this.map.style.rasterFadeDuration)},reload:function(){},serialize:function(){return{type:\"raster\",url:this.url,tileSize:this.tileSize}},getVisibleCoordinates:s._getVisibleCoordinates,getTile:s._getTile,_loadTile:function(t){function e(e,r){if(delete t.request,!t.aborted){if(e)return t.errored=!0,void this.fire(\"tile.error\",{tile:t,error:e});var n=this.map.painter.gl;t.texture=this.map.painter.getTexture(r.width),t.texture?(n.bindTexture(n.TEXTURE_2D,t.texture),n.texSubImage2D(n.TEXTURE_2D,0,0,0,n.RGBA,n.UNSIGNED_BYTE,r)):(t.texture=n.createTexture(),n.bindTexture(n.TEXTURE_2D,t.texture),n.texParameteri(n.TEXTURE_2D,n.TEXTURE_MIN_FILTER,n.LINEAR_MIPMAP_NEAREST),n.texParameteri(n.TEXTURE_2D,n.TEXTURE_MAG_FILTER,n.LINEAR),n.texParameteri(n.TEXTURE_2D,n.TEXTURE_WRAP_S,n.CLAMP_TO_EDGE),n.texParameteri(n.TEXTURE_2D,n.TEXTURE_WRAP_T,n.CLAMP_TO_EDGE),n.pixelStorei(n.UNPACK_PREMULTIPLY_ALPHA_WEBGL,!0),n.texImage2D(n.TEXTURE_2D,0,n.RGBA,n.RGBA,n.UNSIGNED_BYTE,r),t.texture.size=r.width),n.generateMipmap(n.TEXTURE_2D),t.timeAdded=(new Date).getTime(),this.map.animationLoop.set(this.style.rasterFadeDuration),t.source=this,t.loaded=!0,this.fire(\"tile.load\",{tile:t})}}var r=l(t.coord.url(this.tiles),this.url,this.tileSize);t.request=o.getImage(r,e.bind(this))},_abortTile:function(t){t.aborted=!0,t.request&&(t.request.abort(),delete t.request)},_addTile:function(t){this.fire(\"tile.add\",{tile:t})},_removeTile:function(t){this.fire(\"tile.remove\",{tile:t})},_unloadTile:function(t){t.texture&&this.map.painter.saveTexture(t.texture)}})},{\"../util/ajax\":334,\"../util/evented\":341,\"../util/mapbox\":346,\"../util/util\":349,\"./source\":279}],279:[function(t,e,r){\"use strict\";function n(t,e){var r=t.tile.coord,n=e.tile.coord;return r.z-n.z||r.y-n.y||r.x-n.x}function i(t){for(var e=t[0]||{},r=1;r<t.length;r++){var n=t[r];for(var i in n){var o=n[i],a=e[i];if(void 0===a)a=e[i]=o;else for(var s=0;s<o.length;s++)a.push(o[s])}}return e}var o=t(\"../util/util\"),a=t(\"../util/ajax\"),s=t(\"../util/browser\"),l=t(\"./tile_pyramid\"),u=t(\"../util/mapbox\").normalizeSourceURL,c=t(\"./tile_coord\");r._loadTileJSON=function(t){var e=function(t,e){return t?void this.fire(\"error\",{error:t}):(o.extend(this,o.pick(e,[\"tiles\",\"minzoom\",\"maxzoom\",\"attribution\"])),e.vector_layers&&(this.vectorLayers=e.vector_layers,this.vectorLayerIds=this.vectorLayers.map(function(t){return t.id})),this._pyramid=new l({tileSize:this.tileSize,minzoom:this.minzoom,maxzoom:this.maxzoom,roundZoom:this.roundZoom,reparseOverscaled:this.reparseOverscaled,load:this._loadTile.bind(this),abort:this._abortTile.bind(this),unload:this._unloadTile.bind(this),add:this._addTile.bind(this),remove:this._removeTile.bind(this),redoPlacement:this._redoTilePlacement?this._redoTilePlacement.bind(this):void 0}),void this.fire(\"load\"))}.bind(this);t.url?a.getJSON(u(t.url),e):s.frame(e.bind(this,null,t))},r.redoPlacement=function(){if(this._pyramid)for(var t=this._pyramid.orderedIDs(),e=0;e<t.length;e++){var r=this._pyramid.getTile(t[e]);this._redoTilePlacement(r)}},r._getTile=function(t){return this._pyramid.getTile(t.id)},r._getVisibleCoordinates=function(){return this._pyramid?this._pyramid.renderedIDs().map(c.fromID):[]},r._queryRenderedVectorFeatures=function(t,e,r,o){if(!this._pyramid)return{};var a=this._pyramid.tilesIn(t);a.sort(n);for(var s=this.map.style._layers,l=[],u=0;u<a.length;u++){var c=a[u];c.tile.featureIndex&&l.push(c.tile.featureIndex.query({queryGeometry:c.queryGeometry,scale:c.scale,tileSize:c.tile.tileSize,bearing:o,params:e},s))}return i(l)},r._querySourceFeatures=function(t){if(!this._pyramid)return[];for(var e=this._pyramid,r=e.renderedIDs().map(function(t){return e.getTile(t)}),n=[],i={},o=0;o<r.length;o++){var a=r[o],s=new c(Math.min(a.sourceMaxZoom,a.coord.z),a.coord.x,a.coord.y,0).id;i[s]||(i[s]=!0,a.querySourceFeatures(n,t))}return n},r.create=function(e){var n={vector:t(\"./vector_tile_source\"),raster:t(\"./raster_tile_source\"),geojson:t(\"./geojson_source\"),video:t(\"./video_source\"),image:t(\"./image_source\")};return r.is(e)?e:new n[e.type](e)},r.is=function(e){var r={vector:t(\"./vector_tile_source\"),raster:t(\"./raster_tile_source\"),geojson:t(\"./geojson_source\"),video:t(\"./video_source\"),image:t(\"./image_source\")};for(var n in r)if(e instanceof r[n])return!0;return!1}},{\"../util/ajax\":334,\"../util/browser\":335,\"../util/mapbox\":346,\"../util/util\":349,\"./geojson_source\":274,\"./image_source\":276,\"./raster_tile_source\":278,\"./tile_coord\":281,\"./tile_pyramid\":282,\"./vector_tile_source\":283,\"./video_source\":284}],280:[function(t,e,r){\"use strict\";function n(t,e,r){this.coord=t,this.uid=o.uniqueId(),this.loaded=!1,this.isUnloaded=!1,this.uses=0,this.tileSize=e,this.sourceMaxZoom=r,this.buckets={}}function i(t,e){for(var r={},n=0;n<t.length;n++){var i=e.getLayer(t[n].layerId);if(i){var s=a.create(o.extend({layer:i,childLayers:t[n].childLayerIds.map(e.getLayer.bind(e)).filter(function(t){return t})},t[n]));r[s.id]=s}}return r}var o=t(\"../util/util\"),a=t(\"../data/bucket\"),s=t(\"../data/feature_index\"),l=t(\"vector-tile\"),u=t(\"pbf\"),c=t(\"../util/vectortile_to_geojson\"),h=t(\"feature-filter\"),f=t(\"../symbol/collision_tile\"),d=t(\"../symbol/collision_box\");e.exports=n,n.prototype={loadVectorData:function(t,e){this.loaded=!0,t&&(this.collisionBoxArray=new d(t.collisionBoxArray),this.collisionTile=new f(t.collisionTile,this.collisionBoxArray),this.featureIndex=new s(t.featureIndex,t.rawTileData,this.collisionTile),this.rawTileData=t.rawTileData,this.buckets=i(t.buckets,e))},reloadSymbolData:function(t,e,r){if(!this.isUnloaded){this.collisionTile=new f(t.collisionTile,this.collisionBoxArray),this.featureIndex.setCollisionTile(this.collisionTile);for(var n in this.buckets){var a=this.buckets[n];\"symbol\"===a.type&&(a.destroy(e.gl),delete this.buckets[n])}o.extend(this.buckets,i(t.buckets,r))}},unloadVectorData:function(t){for(var e in this.buckets){var r=this.buckets[e];r.destroy(t.gl)}this.collisionBoxArray=null,this.collisionTile=null,this.featureIndex=null,this.rawTileData=null,this.buckets=null,this.loaded=!1,this.isUnloaded=!0},redoPlacement:function(t){function e(e,r){this.reloadSymbolData(r,t.map.painter,t.map.style),t.fire(\"tile.load\",{tile:this}),this.redoingPlacement=!1,this.redoWhenDone&&(this.redoPlacement(t),this.redoWhenDone=!1)}return!this.loaded||this.redoingPlacement?void(this.redoWhenDone=!0):(this.redoingPlacement=!0,void t.dispatcher.send(\"redo placement\",{uid:this.uid,source:t.id,angle:t.map.transform.angle,pitch:t.map.transform.pitch,showCollisionBoxes:t.map.showCollisionBoxes},e.bind(this),this.workerID))},getBucket:function(t){return this.buckets&&this.buckets[t.ref||t.id]},querySourceFeatures:function(t,e){if(this.rawTileData){this.vtLayers||(this.vtLayers=new l.VectorTile(new u(new Uint8Array(this.rawTileData))).layers);var r=this.vtLayers._geojsonTileLayer||this.vtLayers[e.sourceLayer];if(r)for(var n=h(e.filter),i={z:this.coord.z,x:this.coord.x,y:this.coord.y},o=0;o<r.length;o++){var a=r.feature(o);if(n(a)){var s=new c(a,this.coord.z,this.coord.x,this.coord.y);s.tile=i,t.push(s)}}}}}},{\"../data/bucket\":247,\"../data/feature_index\":253,\"../symbol/collision_box\":306,\"../symbol/collision_tile\":308,\"../util/util\":349,\"../util/vectortile_to_geojson\":350,\"feature-filter\":352,pbf:402,\"vector-tile\":413}],281:[function(t,e,r){\"use strict\";function n(t,e,r,n){s(!isNaN(t)&&t>=0&&t%1===0),s(!isNaN(e)&&e>=0&&e%1===0),s(!isNaN(r)&&r>=0&&r%1===0),isNaN(n)&&(n=0),this.z=+t,this.x=+e,this.y=+r,this.w=+n,n*=2,0>n&&(n=-1*n-1);var i=1<<this.z;this.id=32*(i*i*n+i*this.y+this.x)+this.z,this.posMatrix=null}function i(t,e){if(t.row>e.row){var r=t;t=e,e=r}return{x0:t.column,y0:t.row,x1:e.column,y1:e.row,dx:e.column-t.column,dy:e.row-t.row}}function o(t,e,r,n,i){var o=Math.max(r,Math.floor(e.y0)),a=Math.min(n,Math.ceil(e.y1));if(t.x0===e.x0&&t.y0===e.y0?t.x0+e.dy/t.dy*t.dx<e.x1:t.x1-e.dy/t.dy*t.dx<e.x0){var s=t;t=e,e=s}for(var l=t.dx/t.dy,u=e.dx/e.dy,c=t.dx>0,h=e.dx<0,f=o;a>f;f++){var d=l*Math.max(0,Math.min(t.dy,f+c-t.y0))+t.x0,p=u*Math.max(0,Math.min(e.dy,f+h-e.y0))+e.x0;i(Math.floor(p),Math.ceil(d),f)}}function a(t,e,r,n,a,s){var l,u=i(t,e),c=i(e,r),h=i(r,t);u.dy>c.dy&&(l=u,u=c,c=l),u.dy>h.dy&&(l=u,u=h,h=l),c.dy>h.dy&&(l=c,c=h,h=l),u.dy&&o(h,u,n,a,s),c.dy&&o(h,c,n,a,s)}var s=t(\"assert\"),l=t(\"../geo/coordinate\");e.exports=n,n.prototype.toString=function(){return this.z+\"/\"+this.x+\"/\"+this.y},n.prototype.toCoordinate=function(t){var e=Math.min(this.z,t),r=Math.pow(2,e),n=this.y,i=this.x+r*this.w;return new l(i,n,e)},n.fromID=function(t){var e=t%32,r=1<<e,i=(t-e)/32,o=i%r,a=(i-o)/r%r,s=Math.floor(i/(r*r));return s%2!==0&&(s=-1*s-1),s/=2,new n(e,o,a,s)},n.prototype.url=function(t,e){return t[(this.x+this.y)%t.length].replace(\"{prefix}\",(this.x%16).toString(16)+(this.y%16).toString(16)).replace(\"{z}\",Math.min(this.z,e||this.z)).replace(\"{x}\",this.x).replace(\"{y}\",this.y)},n.prototype.parent=function(t){return 0===this.z?null:this.z>t?new n(this.z-1,this.x,this.y,this.w):new n(this.z-1,Math.floor(this.x/2),Math.floor(this.y/2),this.w)},n.prototype.wrapped=function(){return new n(this.z,this.x,this.y,0)},n.prototype.children=function(t){if(this.z>=t)return[new n(this.z+1,this.x,this.y,this.w)];var e=this.z+1,r=2*this.x,i=2*this.y;return[new n(e,r,i,this.w),new n(e,r+1,i,this.w),new n(e,r,i+1,this.w),new n(e,r+1,i+1,this.w)]},n.cover=function(t,e,r){function i(t,e,i){var a,l,u;if(i>=0&&o>=i)for(a=t;e>a;a++)l=(a%o+o)%o,u=new n(r,l,i,Math.floor(a/o)),s[u.id]=u}var o=1<<t,s={};return a(e[0],e[1],e[2],0,o,i),a(e[2],e[3],e[0],0,o,i),Object.keys(s).map(function(t){return s[t]})}},{\"../geo/coordinate\":255,assert:52}],282:[function(t,e,r){\"use strict\";function n(t){this.tileSize=t.tileSize,this.minzoom=t.minzoom,this.maxzoom=t.maxzoom,this.roundZoom=t.roundZoom,this.reparseOverscaled=t.reparseOverscaled,this._load=t.load,this._abort=t.abort,this._unload=t.unload,this._add=t.add,this._remove=t.remove,this._redoPlacement=t.redoPlacement,this._tiles={},this._cache=new u(0,function(t){return this._unload(t)}.bind(this)),this._filterRendered=this._filterRendered.bind(this)}function i(t,e,r){var n=r.zoomTo(Math.min(t.z,e));return{x:(n.column-(t.x+t.w*Math.pow(2,t.z)))*f,y:(n.row-t.y)*f}}function o(t,e){return t%32-e%32}var a=t(\"./tile\"),s=t(\"./tile_coord\"),l=t(\"point-geometry\"),u=t(\"../util/lru_cache\"),c=t(\"../geo/coordinate\"),h=t(\"../util/util\"),f=t(\"../data/bucket\").EXTENT;e.exports=n,n.maxOverzooming=10,n.maxUnderzooming=3,n.prototype={loaded:function(){for(var t in this._tiles)if(!this._tiles[t].loaded&&!this._tiles[t].errored)return!1;return!0},orderedIDs:function(){return Object.keys(this._tiles).map(Number).sort(o)},renderedIDs:function(){return this.orderedIDs().filter(this._filterRendered)},_filterRendered:function(t){return this._tiles[t].loaded&&!this._coveredTiles[t]},reload:function(){this._cache.reset();for(var t in this._tiles)this._load(this._tiles[t])},getTile:function(t){return this._tiles[t]},getZoom:function(t){return t.zoom+Math.log(t.tileSize/this.tileSize)/Math.LN2},coveringZoomLevel:function(t){return(this.roundZoom?Math.round:Math.floor)(this.getZoom(t))},coveringTiles:function(t){var e=this.coveringZoomLevel(t),r=e;if(e<this.minzoom)return[];e>this.maxzoom&&(e=this.maxzoom);var n=t,i=n.locationCoordinate(n.center)._zoomTo(e),o=new l(i.column-.5,i.row-.5);return s.cover(e,[n.pointCoordinate(new l(0,0))._zoomTo(e),n.pointCoordinate(new l(n.width,0))._zoomTo(e),n.pointCoordinate(new l(n.width,n.height))._zoomTo(e),n.pointCoordinate(new l(0,n.height))._zoomTo(e)],this.reparseOverscaled?r:e).sort(function(t,e){return o.dist(t)-o.dist(e)})},findLoadedChildren:function(t,e,r){var n=!1;for(var i in this._tiles){var o=this._tiles[i];if(!(r[i]||!o.loaded||o.coord.z<=t.z||o.coord.z>e)){\nvar a=Math.pow(2,Math.min(o.coord.z,this.maxzoom)-Math.min(t.z,this.maxzoom));if(Math.floor(o.coord.x/a)===t.x&&Math.floor(o.coord.y/a)===t.y)for(r[i]=!0,n=!0;o&&o.coord.z-1>t.z;){var s=o.coord.parent(this.maxzoom).id;o=this._tiles[s],o&&o.loaded&&(delete r[i],r[s]=!0)}}}return n},findLoadedParent:function(t,e,r){for(var n=t.z-1;n>=e;n--){t=t.parent(this.maxzoom);var i=this._tiles[t.id];if(i&&i.loaded)return r[t.id]=!0,i;if(this._cache.has(t.id))return this.addTile(t),r[t.id]=!0,this._tiles[t.id]}},updateCacheSize:function(t){var e=Math.ceil(t.width/t.tileSize)+1,r=Math.ceil(t.height/t.tileSize)+1,n=e*r,i=5;this._cache.setMaxSize(Math.floor(n*i))},update:function(t,e,r){var i,o,a;this.updateCacheSize(e);var l=(this.roundZoom?Math.round:Math.floor)(this.getZoom(e)),u=Math.max(l-n.maxOverzooming,this.minzoom),c=Math.max(l+n.maxUnderzooming,this.minzoom),f={},d=(new Date).getTime();this._coveredTiles={};var p=t?this.coveringTiles(e):[];for(i=0;i<p.length;i++)o=p[i],a=this.addTile(o),f[o.id]=!0,a.loaded||this.findLoadedChildren(o,c,f)||this.findLoadedParent(o,u,f);for(var v={},m=Object.keys(f),g=0;g<m.length;g++){var y=m[g];o=s.fromID(y),a=this._tiles[y],a&&a.timeAdded>d-(r||0)&&(this.findLoadedChildren(o,c,f)&&(f[y]=!0),this.findLoadedParent(o,u,v))}var b;for(b in v)f[b]||(this._coveredTiles[b]=!0);for(b in v)f[b]=!0;var x=h.keysDifference(this._tiles,f);for(i=0;i<x.length;i++)this.removeTile(+x[i]);this.transform=e},addTile:function(t){var e=this._tiles[t.id];if(e)return e;var r=t.wrapped();if(e=this._tiles[r.id],e||(e=this._cache.get(r.id),e&&this._redoPlacement&&this._redoPlacement(e)),!e){var n=t.z,i=n>this.maxzoom?Math.pow(2,n-this.maxzoom):1;e=new a(r,this.tileSize*i,this.maxzoom),this._load(e)}return e.uses++,this._tiles[t.id]=e,this._add(e,t),e},removeTile:function(t){var e=this._tiles[t];e&&(e.uses--,delete this._tiles[t],this._remove(e),e.uses>0||(e.loaded?this._cache.add(e.coord.wrapped().id,e):(this._abort(e),this._unload(e))))},clearTiles:function(){for(var t in this._tiles)this.removeTile(t);this._cache.reset()},tilesIn:function(t){for(var e={},r=this.orderedIDs(),n=1/0,o=1/0,a=-(1/0),l=-(1/0),u=t[0].zoom,h=0;h<t.length;h++){var d=t[h];n=Math.min(n,d.column),o=Math.min(o,d.row),a=Math.max(a,d.column),l=Math.max(l,d.row)}for(var p=0;p<r.length;p++){var v=this._tiles[r[p]],m=s.fromID(r[p]),g=[i(m,v.sourceMaxZoom,new c(n,o,u)),i(m,v.sourceMaxZoom,new c(a,l,u))];if(g[0].x<f&&g[0].y<f&&g[1].x>=0&&g[1].y>=0){for(var y=[],b=0;b<t.length;b++)y.push(i(m,v.sourceMaxZoom,t[b]));var x=e[v.coord.id];void 0===x&&(x=e[v.coord.id]={tile:v,queryGeometry:[],scale:Math.pow(2,this.transform.zoom-v.coord.z)}),x.queryGeometry.push(y)}}var _=[];for(var w in e)_.push(e[w]);return _}}},{\"../data/bucket\":247,\"../geo/coordinate\":255,\"../util/lru_cache\":345,\"../util/util\":349,\"./tile\":280,\"./tile_coord\":281,\"point-geometry\":404}],283:[function(t,e,r){\"use strict\";function n(t){if(i.extend(this,i.pick(t,[\"url\",\"tileSize\"])),this._options=i.extend({type:\"vector\"},t),512!==this.tileSize)throw new Error(\"vector tile sources must have a tileSize of 512\");a._loadTileJSON.call(this,t)}var i=t(\"../util/util\"),o=t(\"../util/evented\"),a=t(\"./source\"),s=t(\"../util/mapbox\").normalizeTileURL;e.exports=n,n.prototype=i.inherit(o,{minzoom:0,maxzoom:22,tileSize:512,reparseOverscaled:!0,_loaded:!1,isTileClipped:!0,onAdd:function(t){this.map=t},loaded:function(){return this._pyramid&&this._pyramid.loaded()},update:function(t){this._pyramid&&this._pyramid.update(this.used,t)},reload:function(){this._pyramid&&this._pyramid.reload()},serialize:function(){return i.extend({},this._options)},getVisibleCoordinates:a._getVisibleCoordinates,getTile:a._getTile,queryRenderedFeatures:a._queryRenderedVectorFeatures,querySourceFeatures:a._querySourceFeatures,_loadTile:function(t){var e=t.coord.z>this.maxzoom?Math.pow(2,t.coord.z-this.maxzoom):1,r={url:s(t.coord.url(this.tiles,this.maxzoom),this.url),uid:t.uid,coord:t.coord,zoom:t.coord.z,tileSize:this.tileSize*e,source:this.id,overscaling:e,angle:this.map.transform.angle,pitch:this.map.transform.pitch,showCollisionBoxes:this.map.showCollisionBoxes};t.workerID?(r.rawTileData=t.rawTileData,this.dispatcher.send(\"reload tile\",r,this._tileLoaded.bind(this,t),t.workerID)):t.workerID=this.dispatcher.send(\"load tile\",r,this._tileLoaded.bind(this,t))},_tileLoaded:function(t,e,r){if(!t.aborted){if(e)return t.errored=!0,void this.fire(\"tile.error\",{tile:t,error:e});t.loadVectorData(r,this.map.style),t.redoWhenDone&&(t.redoWhenDone=!1,t.redoPlacement(this)),this.fire(\"tile.load\",{tile:t}),this.fire(\"tile.stats\",r.bucketStats)}},_abortTile:function(t){t.aborted=!0,this.dispatcher.send(\"abort tile\",{uid:t.uid,source:this.id},null,t.workerID)},_addTile:function(t){this.fire(\"tile.add\",{tile:t})},_removeTile:function(t){this.fire(\"tile.remove\",{tile:t})},_unloadTile:function(t){t.unloadVectorData(this.map.painter),this.dispatcher.send(\"remove tile\",{uid:t.uid,source:this.id},null,t.workerID)},redoPlacement:a.redoPlacement,_redoTilePlacement:function(t){t.redoPlacement(this)}})},{\"../util/evented\":341,\"../util/mapbox\":346,\"../util/util\":349,\"./source\":279}],284:[function(t,e,r){\"use strict\";function n(t){this.urls=t.urls,this.coordinates=t.coordinates,c.getVideo(t.urls,function(e,r){if(!e){this.video=r,this.video.loop=!0;var n;this.video.addEventListener(\"playing\",function(){n=this.map.style.animationLoop.set(1/0),this.map._rerender()}.bind(this)),this.video.addEventListener(\"pause\",function(){this.map.style.animationLoop.cancel(n)}.bind(this)),this._loaded=!0,this.map&&(this.video.play(),this.setCoordinates(t.coordinates))}}.bind(this))}var i=t(\"../util/util\"),o=t(\"./tile\"),a=t(\"./tile_coord\"),s=t(\"../geo/lng_lat\"),l=t(\"point-geometry\"),u=t(\"../util/evented\"),c=t(\"../util/ajax\"),h=t(\"../data/bucket\").EXTENT,f=t(\"../render/draw_raster\").RasterBoundsArray,d=t(\"../data/buffer\"),p=t(\"../render/vertex_array_object\");e.exports=n,n.prototype=i.inherit(u,{roundZoom:!0,getVideo:function(){return this.video},onAdd:function(t){this.map=t,this.video&&(this.video.play(),this.setCoordinates(this.coordinates))},setCoordinates:function(t){this.coordinates=t;var e=this.map,r=t.map(function(t){return e.transform.locationCoordinate(s.convert(t)).zoomTo(0)}),n=this.centerCoord=i.getCoordinatesCenter(r);n.column=Math.round(n.column),n.row=Math.round(n.row);var u=r.map(function(t){var e=t.zoomTo(n.zoom);return new l(Math.round((e.column-n.column)*h),Math.round((e.row-n.row)*h))}),c=32767,v=new f;return v.emplaceBack(u[0].x,u[0].y,0,0),v.emplaceBack(u[1].x,u[1].y,c,0),v.emplaceBack(u[3].x,u[3].y,0,c),v.emplaceBack(u[2].x,u[2].y,c,c),this.tile=new o(new a(n.zoom,n.column,n.row)),this.tile.buckets={},this.tile.boundsBuffer=new d(v.serialize(),f.serialize(),d.BufferType.VERTEX),this.tile.boundsVAO=new p,this.fire(\"change\"),this},loaded:function(){return this.video&&this.video.readyState>=2},update:function(){},reload:function(){},prepare:function(){if(this._loaded&&!(this.video.readyState<2)){var t=this.map.painter.gl;this.tile.texture?(t.bindTexture(t.TEXTURE_2D,this.tile.texture),t.texSubImage2D(t.TEXTURE_2D,0,0,0,t.RGBA,t.UNSIGNED_BYTE,this.video)):(this.tile.texture=t.createTexture(),t.bindTexture(t.TEXTURE_2D,this.tile.texture),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_WRAP_S,t.CLAMP_TO_EDGE),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_WRAP_T,t.CLAMP_TO_EDGE),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_MIN_FILTER,t.LINEAR),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_MAG_FILTER,t.LINEAR),t.texImage2D(t.TEXTURE_2D,0,t.RGBA,t.RGBA,t.UNSIGNED_BYTE,this.video)),this._currentTime=this.video.currentTime}},getVisibleCoordinates:function(){return this.tile?[this.tile.coord]:[]},getTile:function(){return this.tile},serialize:function(){return{type:\"video\",urls:this.urls,coordinates:this.coordinates}}})},{\"../data/bucket\":247,\"../data/buffer\":252,\"../geo/lng_lat\":256,\"../render/draw_raster\":267,\"../render/vertex_array_object\":273,\"../util/ajax\":334,\"../util/evented\":341,\"../util/util\":349,\"./tile\":280,\"./tile_coord\":281,\"point-geometry\":404}],285:[function(t,e,r){\"use strict\";function n(t){this.self=t,this.actor=new o(t,this),this.loading={},this.loaded={},this.geoJSONIndexes={}}function i(t){var e={};for(var r in t){var n=t[r],i=n.ref||n.id,o=t[i];o.layout&&\"none\"===o.layout.visibility||(e[i]=e[i]||[],r===i?e[i].unshift(n):e[i].push(n))}return e}var o=t(\"../util/actor\"),a=t(\"./worker_tile\"),s=t(\"../style/style_layer\"),l=t(\"../util/util\"),u=t(\"../util/ajax\"),c=t(\"vector-tile\"),h=t(\"pbf\"),f=t(\"supercluster\"),d=t(\"geojson-vt\"),p=t(\"geojson-rewind\"),v=t(\"./geojson_wrapper\"),m=t(\"vt-pbf\");e.exports=function(t){return new n(t)},l.extend(n.prototype,{\"set layers\":function(t){function e(t){var e=s.create(t,t.ref&&r.layers[t.ref]);e.updatePaintTransitions({},{transition:!1}),r.layers[e.id]=e}this.layers={};for(var r=this,n=[],o=0;o<t.length;o++){var a=t[o];\"fill\"!==a.type&&\"line\"!==a.type&&\"circle\"!==a.type&&\"symbol\"!==a.type||(a.ref?n.push(o):e(a))}for(var l=0;l<n.length;l++)e(t[n[l]]);this.layerFamilies=i(this.layers)},\"update layers\":function(t){function e(t){var e=o.layers[t.ref];o.layers[t.id]?o.layers[t.id].set(t,e):o.layers[t.id]=s.create(t,e),o.layers[t.id].updatePaintTransitions({},{transition:!1})}var r,n,o=this;for(r in t)n=t[r],n.ref&&e(n);for(r in t)n=t[r],n.ref||e(n);this.layerFamilies=i(this.layers)},\"load tile\":function(t,e){function r(t,r){return delete this.loading[n][i],t?e(t):(o.data=new c.VectorTile(new h(new Uint8Array(r))),o.parse(o.data,this.layerFamilies,this.actor,r,e),this.loaded[n]=this.loaded[n]||{},void(this.loaded[n][i]=o))}var n=t.source,i=t.uid;this.loading[n]||(this.loading[n]={});var o=this.loading[n][i]=new a(t);o.xhr=u.getArrayBuffer(t.url,r.bind(this))},\"reload tile\":function(t,e){var r=this.loaded[t.source],n=t.uid;if(r&&r[n]){var i=r[n];i.parse(i.data,this.layerFamilies,this.actor,t.rawTileData,e)}},\"abort tile\":function(t){var e=this.loading[t.source],r=t.uid;e&&e[r]&&(e[r].xhr.abort(),delete e[r])},\"remove tile\":function(t){var e=this.loaded[t.source],r=t.uid;e&&e[r]&&delete e[r]},\"redo placement\":function(t,e){var r=this.loaded[t.source],n=this.loading[t.source],i=t.uid;if(r&&r[i]){var o=r[i],a=o.redoPlacement(t.angle,t.pitch,t.showCollisionBoxes);a.result&&e(null,a.result,a.transferables)}else n&&n[i]&&(n[i].angle=t.angle)},\"parse geojson\":function(t,e){var r=function(r,n){if(p(n,!0),r)return e(r);if(\"object\"!=typeof n)return e(new Error(\"Input data is not a valid GeoJSON object.\"));try{this.geoJSONIndexes[t.source]=t.cluster?f(t.superclusterOptions).load(n.features):d(n,t.geojsonVtOptions)}catch(r){return e(r)}e(null)}.bind(this);if(t.url)u.getJSON(t.url,r);else{if(\"string\"!=typeof t.data)return e(new Error(\"Input data is not a valid GeoJSON object.\"));r(null,JSON.parse(t.data))}},\"load geojson tile\":function(t,e){var r=t.source,n=t.coord;if(!this.geoJSONIndexes[r])return e(null,null);var i=this.geoJSONIndexes[r].getTile(Math.min(n.z,t.maxZoom),n.x,n.y),o=i?new a(t):void 0;if(this.loaded[r]=this.loaded[r]||{},this.loaded[r][t.uid]=o,!i)return e(null,null);var s=new v(i.features);s.name=\"_geojsonTileLayer\";var l=m({layers:{_geojsonTileLayer:s}}).buffer;o.parse(s,this.layerFamilies,this.actor,l,e)}})},{\"../style/style_layer\":293,\"../util/actor\":333,\"../util/ajax\":334,\"../util/util\":349,\"./geojson_wrapper\":275,\"./worker_tile\":286,\"geojson-rewind\":353,\"geojson-vt\":358,pbf:402,supercluster:407,\"vector-tile\":413,\"vt-pbf\":417}],286:[function(t,e,r){\"use strict\";function n(t){this.coord=t.coord,this.uid=t.uid,this.zoom=t.zoom,this.tileSize=t.tileSize,this.source=t.source,this.overscaling=t.overscaling,this.angle=t.angle,this.pitch=t.pitch,this.showCollisionBoxes=t.showCollisionBoxes}function i(t){for(var e in t.arrayGroups)for(var r=t.arrayGroups[e],n=0;n<r.length;n++){var i=r[n];for(var o in i){var a=i[o];for(var s in a)if(a[s].length>0)return!0}}return!1}function o(t){return t.serialize()}function a(t){var e=[];for(var r in t){var n=t[r];for(var i in n.arrayGroups)for(var o=n.arrayGroups[i],a=0;a<o.length;a++){var s=o[a];for(var l in s){var u=s[l];for(var c in u)e.push(u[c].arrayBuffer)}}}return e}function s(t){return t.id}var l=t(\"../data/feature_index\"),u=t(\"../symbol/collision_tile\"),c=t(\"../data/bucket\"),h=t(\"../symbol/collision_box\"),f=t(\"../util/dictionary_coder\");e.exports=n,n.prototype.parse=function(t,e,r,n,d){function p(t,e){for(var r=0;r<t.length;r++){var n=t.feature(r);n.index=r;for(var i in e)e[i].filter(n)&&e[i].features.push(n)}}function v(t){if(t)return d(t);if(F++,2===F){for(var e=P.length-1;e>=0;e--)m(T,P[e]);g()}}function m(t,e){var r=Date.now();e.populateBuffers(w,O,D);var n=Date.now()-r;if(\"symbol\"!==e.type)for(var i=0;i<e.features.length;i++){var o=e.features[i];M.insert(o,o.index,e.sourceLayerIndex,e.index)}e.features=null,A._total+=n,A[e.id]=(A[e.id]||0)+n}function g(){T.status=\"done\",T.redoPlacementAfterDone&&(T.redoPlacement(T.angle,T.pitch,null),T.redoPlacementAfterDone=!1);var t=M.serialize(),e=w.serialize(),r=T.collisionBoxArray.serialize(),s=[n].concat(t.transferables).concat(e.transferables),l=I.filter(i);d(null,{buckets:l.map(o),bucketStats:A,featureIndex:t.data,collisionTile:e.data,collisionBoxArray:r,rawTileData:n},a(l).concat(s))}this.status=\"parsing\",this.data=t,this.collisionBoxArray=new h;var y,b,x,_,w=new u(this.angle,this.pitch,this.collisionBoxArray),M=new l(this.coord,this.overscaling,w,t.layers),k=new f(t.layers?Object.keys(t.layers).sort():[\"_geojsonTileLayer\"]),A={_total:0},T=this,E={},S={},L=0;for(var z in e)b=e[z][0],b.source===this.source&&(b.ref||b.minzoom&&this.zoom<b.minzoom||b.maxzoom&&this.zoom>=b.maxzoom||b.layout&&\"none\"===b.layout.visibility||t.layers&&!t.layers[b.sourceLayer]||(_=c.create({layer:b,index:L++,childLayers:e[z],zoom:this.zoom,overscaling:this.overscaling,showCollisionBoxes:this.showCollisionBoxes,collisionBoxArray:this.collisionBoxArray,sourceLayerIndex:k.encode(b.sourceLayer||\"_geojsonTileLayer\")}),_.createFilter(),E[b.id]=_,t.layers&&(x=b.sourceLayer,S[x]=S[x]||{},S[x][b.id]=_)));if(t.layers)for(x in S)b=t.layers[x],b&&p(b,S[x]);else p(t,E);var I=[],P=this.symbolBuckets=[],C=[];M.bucketLayerIDs={};for(var R in E)_=E[R],0!==_.features.length&&(M.bucketLayerIDs[_.index]=_.childLayers.map(s),I.push(_),\"symbol\"===_.type?P.push(_):C.push(_));var D={},O={},F=0;if(P.length>0){for(y=P.length-1;y>=0;y--)P[y].updateIcons(D),P[y].updateFont(O);for(var j in O)O[j]=Object.keys(O[j]).map(Number);D=Object.keys(D),r.send(\"get glyphs\",{uid:this.uid,stacks:O},function(t,e){O=e,v(t)}),D.length?r.send(\"get icons\",{icons:D},function(t,e){D=e,v(t)}):v()}for(y=C.length-1;y>=0;y--)m(this,C[y]);return 0===P.length?g():void 0},n.prototype.redoPlacement=function(t,e,r){if(\"done\"!==this.status)return this.redoPlacementAfterDone=!0,this.angle=t,{};for(var n=new u(t,e,this.collisionBoxArray),s=this.symbolBuckets,l=s.length-1;l>=0;l--)s[l].placeFeatures(n,r);var c=n.serialize(),h=s.filter(i);return{result:{buckets:h.map(o),collisionTile:c.data},transferables:a(h).concat(c.transferables)}}},{\"../data/bucket\":247,\"../data/feature_index\":253,\"../symbol/collision_box\":306,\"../symbol/collision_tile\":308,\"../util/dictionary_coder\":340}],287:[function(t,e,r){\"use strict\";function n(){this.n=0,this.times=[]}e.exports=n,n.prototype.stopped=function(){return this.times=this.times.filter(function(t){return t.time>=(new Date).getTime()}),!this.times.length},n.prototype.set=function(t){return this.times.push({id:this.n,time:t+(new Date).getTime()}),this.n++},n.prototype.cancel=function(t){this.times=this.times.filter(function(e){return e.id!==t})}},{}],288:[function(t,e,r){\"use strict\";function n(t){this.base=t,this.retina=s.devicePixelRatio>1;var e=this.retina?\"@2x\":\"\";a.getJSON(l(t,e,\".json\"),function(t,e){return t?void this.fire(\"error\",{error:t}):(this.data=e,void(this.img&&this.fire(\"load\")))}.bind(this)),a.getImage(l(t,e,\".png\"),function(t,e){if(t)return void this.fire(\"error\",{error:t});for(var r=e.getData(),n=e.data=new Uint8Array(r.length),i=0;i<r.length;i+=4){var o=r[i+3]/255;n[i+0]=r[i+0]*o,n[i+1]=r[i+1]*o,n[i+2]=r[i+2]*o,n[i+3]=r[i+3]}this.img=e,this.data&&this.fire(\"load\")}.bind(this))}function i(){}var o=t(\"../util/evented\"),a=t(\"../util/ajax\"),s=t(\"../util/browser\"),l=t(\"../util/mapbox\").normalizeSpriteURL;e.exports=n,n.prototype=Object.create(o),n.prototype.toJSON=function(){return this.base},n.prototype.loaded=function(){return!(!this.data||!this.img)},n.prototype.resize=function(){if(s.devicePixelRatio>1!==this.retina){var t=new n(this.base);t.on(\"load\",function(){this.img=t.img,this.data=t.data,this.retina=t.retina}.bind(this))}},i.prototype={x:0,y:0,width:0,height:0,pixelRatio:1,sdf:!1},n.prototype.getSpritePosition=function(t){if(!this.loaded())return new i;var e=this.data&&this.data[t];return e&&this.img?e:new i}},{\"../util/ajax\":334,\"../util/browser\":335,\"../util/evented\":341,\"../util/mapbox\":346}],289:[function(t,e,r){\"use strict\";function n(t){if(l[t])return l[t];if(Array.isArray(t))return t;if(t&&t.stops)return s.extend({},t,{stops:t.stops.map(i)});if(\"string\"==typeof t){var e=a(t);if(!e)throw new Error(\"Invalid color \"+t);var r=o(e);return l[t]=r,r}throw new Error(\"Invalid color \"+t)}function i(t){return[t[0],n(t[1])]}function o(t){return[t[0]/255,t[1]/255,t[2]/255,t[3]/1]}var a=t(\"csscolorparser\").parseCSSColor,s=t(\"../util/util\"),l={};e.exports=n},{\"../util/util\":349,csscolorparser:351}],290:[function(t,e,r){\"use strict\";function n(t,e){this.animationLoop=e||new v,this.dispatcher=new p(Math.max(d.hardwareConcurrency-1,1),this),this.spriteAtlas=new l(512,512),this.lineAtlas=new u(256,512),this._layers={},this._order=[],this._groups=[],this.sources={},this.zoomHistory={},c.bindAll([\"_forwardSourceEvent\",\"_forwardTileEvent\",\"_forwardLayerEvent\",\"_redoPlacement\"],this),this._resetUpdates();var r=function(t,e){if(t)return void this.fire(\"error\",{error:t});if(!m.emitErrors(this,m(e))){this._loaded=!0,this.stylesheet=e,this.updateClasses();var r=e.sources;for(var n in r)this.addSource(n,r[n]);e.sprite&&(this.sprite=new a(e.sprite),this.sprite.on(\"load\",this.fire.bind(this,\"change\"))),this.glyphSource=new s(e.glyphs),this._resolve(),this.fire(\"load\")}}.bind(this);\"string\"==typeof t?h.getJSON(f(t),r):d.frame(r.bind(this,null,t)),this.on(\"source.load\",function(t){var e=t.source;if(e&&e.vectorLayerIds)for(var r in this._layers){var n=this._layers[r];n.source===e.id&&this._validateLayer(n)}})}var i=t(\"../util/evented\"),o=t(\"./style_layer\"),a=t(\"./image_sprite\"),s=t(\"../symbol/glyph_source\"),l=t(\"../symbol/sprite_atlas\"),u=t(\"../render/line_atlas\"),c=t(\"../util/util\"),h=t(\"../util/ajax\"),f=t(\"../util/mapbox\").normalizeStyleURL,d=t(\"../util/browser\"),p=t(\"../util/dispatcher\"),v=t(\"./animation_loop\"),m=t(\"./validate_style\"),g=t(\"../source/source\"),y=t(\"./style_spec\"),b=t(\"./style_function\");e.exports=n,n.prototype=c.inherit(i,{_loaded:!1,_validateLayer:function(t){var e=this.sources[t.source];t.sourceLayer&&e&&e.vectorLayerIds&&-1===e.vectorLayerIds.indexOf(t.sourceLayer)&&this.fire(\"error\",{error:new Error('Source layer \"'+t.sourceLayer+'\" does not exist on source \"'+e.id+'\" as specified by style layer \"'+t.id+'\"')})},loaded:function(){if(!this._loaded)return!1;for(var t in this.sources)if(!this.sources[t].loaded())return!1;return!this.sprite||this.sprite.loaded()},_resolve:function(){var t,e;this._layers={},this._order=this.stylesheet.layers.map(function(t){return t.id});for(var r=0;r<this.stylesheet.layers.length;r++)e=this.stylesheet.layers[r],e.ref||(t=o.create(e),this._layers[t.id]=t,t.on(\"error\",this._forwardLayerEvent));for(var n=0;n<this.stylesheet.layers.length;n++)if(e=this.stylesheet.layers[n],e.ref){var i=this.getLayer(e.ref);t=o.create(e,i),this._layers[t.id]=t,t.on(\"error\",this._forwardLayerEvent)}this._groupLayers(),this._updateWorkerLayers()},_groupLayers:function(){var t;this._groups=[];for(var e=0;e<this._order.length;++e){var r=this._layers[this._order[e]];t&&r.source===t.source||(t=[],t.source=r.source,this._groups.push(t)),t.push(r)}},_updateWorkerLayers:function(t){this.dispatcher.broadcast(t?\"update layers\":\"set layers\",this._serializeLayers(t))},_serializeLayers:function(t){t=t||this._order;for(var e=[],r={includeRefProperties:!0},n=0;n<t.length;n++)e.push(this._layers[t[n]].serialize(r));return e},_applyClasses:function(t,e){if(this._loaded){t=t||[],e=e||{transition:!0};var r=this.stylesheet.transition||{},n=this._updates.allPaintProps?this._layers:this._updates.paintProps;for(var i in n){var o=this._layers[i],a=this._updates.paintProps[i];if(this._updates.allPaintProps||a.all)o.updatePaintTransitions(t,e,r,this.animationLoop);else for(var s in a)this._layers[i].updatePaintTransition(s,t,e,r,this.animationLoop)}}},_recalculate:function(t){for(var e in this.sources)this.sources[e].used=!1;this._updateZoomHistory(t),this.rasterFadeDuration=300;for(var r in this._layers){var n=this._layers[r];n.recalculate(t,this.zoomHistory),!n.isHidden(t)&&n.source&&(this.sources[n.source].used=!0)}var i=300;Math.floor(this.z)!==Math.floor(t)&&this.animationLoop.set(i),this.z=t,this.fire(\"zoom\")},_updateZoomHistory:function(t){var e=this.zoomHistory;void 0===e.lastIntegerZoom&&(e.lastIntegerZoom=Math.floor(t),e.lastIntegerZoomTime=0,e.lastZoom=t),Math.floor(e.lastZoom)<Math.floor(t)?(e.lastIntegerZoom=Math.floor(t),e.lastIntegerZoomTime=Date.now()):Math.floor(e.lastZoom)>Math.floor(t)&&(e.lastIntegerZoom=Math.floor(t+1),e.lastIntegerZoomTime=Date.now()),e.lastZoom=t},_checkLoaded:function(){if(!this._loaded)throw new Error(\"Style is not done loading\")},update:function(t,e){if(!this._updates.changed)return this;if(this._updates.allLayers)this._groupLayers(),this._updateWorkerLayers();else{var r=Object.keys(this._updates.layers);r.length&&this._updateWorkerLayers(r)}var n,i=Object.keys(this._updates.sources);for(n=0;n<i.length;n++)this._reloadSource(i[n]);for(n=0;n<this._updates.events.length;n++){var o=this._updates.events[n];this.fire(o[0],o[1])}return this._applyClasses(t,e),this._updates.changed&&this.fire(\"change\"),this._resetUpdates(),this},_resetUpdates:function(){this._updates={events:[],layers:{},sources:{},paintProps:{}}},addSource:function(t,e){if(this._checkLoaded(),void 0!==this.sources[t])throw new Error(\"There is already a source with this ID\");return!g.is(e)&&this._handleErrors(m.source,\"sources.\"+t,e)?this:(e=g.create(e),this.sources[t]=e,e.id=t,e.style=this,e.dispatcher=this.dispatcher,e.on(\"load\",this._forwardSourceEvent).on(\"error\",this._forwardSourceEvent).on(\"change\",this._forwardSourceEvent).on(\"tile.add\",this._forwardTileEvent).on(\"tile.load\",this._forwardTileEvent).on(\"tile.error\",this._forwardTileEvent).on(\"tile.remove\",this._forwardTileEvent).on(\"tile.stats\",this._forwardTileEvent),this._updates.events.push([\"source.add\",{source:e}]),this._updates.changed=!0,this)},removeSource:function(t){if(this._checkLoaded(),void 0===this.sources[t])throw new Error(\"There is no source with this ID\");var e=this.sources[t];return delete this.sources[t],e.off(\"load\",this._forwardSourceEvent).off(\"error\",this._forwardSourceEvent).off(\"change\",this._forwardSourceEvent).off(\"tile.add\",this._forwardTileEvent).off(\"tile.load\",this._forwardTileEvent).off(\"tile.error\",this._forwardTileEvent).off(\"tile.remove\",this._forwardTileEvent).off(\"tile.stats\",this._forwardTileEvent),this._updates.events.push([\"source.remove\",{source:e}]),this._updates.changed=!0,this},getSource:function(t){return this.sources[t]},addLayer:function(t,e){if(this._checkLoaded(),!(t instanceof o)){if(this._handleErrors(m.layer,\"layers.\"+t.id,t,!1,{arrayIndex:-1}))return this;var r=t.ref&&this.getLayer(t.ref);t=o.create(t,r)}return this._validateLayer(t),t.on(\"error\",this._forwardLayerEvent),this._layers[t.id]=t,this._order.splice(e?this._order.indexOf(e):1/0,0,t.id),this._updates.allLayers=!0,t.source&&(this._updates.sources[t.source]=!0),this._updates.events.push([\"layer.add\",{layer:t}]),this.updateClasses(t.id)},removeLayer:function(t){this._checkLoaded();var e=this._layers[t];if(void 0===e)throw new Error(\"There is no layer with this ID\");for(var r in this._layers)this._layers[r].ref===t&&this.removeLayer(r);return e.off(\"error\",this._forwardLayerEvent),delete this._layers[t],this._order.splice(this._order.indexOf(t),1),this._updates.allLayers=!0,this._updates.events.push([\"layer.remove\",{layer:e}]),this._updates.changed=!0,this},getLayer:function(t){return this._layers[t]},getReferentLayer:function(t){var e=this.getLayer(t);return e.ref&&(e=this.getLayer(e.ref)),e},setLayerZoomRange:function(t,e,r){this._checkLoaded();var n=this.getReferentLayer(t);return n.minzoom===e&&n.maxzoom===r?this:(null!=e&&(n.minzoom=e),null!=r&&(n.maxzoom=r),this._updateLayer(n))},setFilter:function(t,e){this._checkLoaded();var r=this.getReferentLayer(t);return this._handleErrors(m.filter,\"layers.\"+r.id+\".filter\",e)?this:c.deepEqual(r.filter,e)?this:(r.filter=c.clone(e),this._updateLayer(r))},getFilter:function(t){return this.getReferentLayer(t).filter},setLayoutProperty:function(t,e,r){this._checkLoaded();var n=this.getReferentLayer(t);return c.deepEqual(n.getLayoutProperty(e),r)?this:(n.setLayoutProperty(e,r),this._updateLayer(n))},getLayoutProperty:function(t,e){return this.getReferentLayer(t).getLayoutProperty(e)},setPaintProperty:function(t,e,r,n){this._checkLoaded();var i=this.getLayer(t);if(c.deepEqual(i.getPaintProperty(e,n),r))return this;var o=i.isPaintValueFeatureConstant(e);i.setPaintProperty(e,r,n);var a=!(b.isFunctionDefinition(r)&&\"$zoom\"!==r.property&&void 0!==r.property);return a&&o||(this._updates.layers[t]=!0,i.source&&(this._updates.sources[i.source]=!0)),this.updateClasses(t,e)},getPaintProperty:function(t,e,r){return this.getLayer(t).getPaintProperty(e,r)},updateClasses:function(t,e){if(this._updates.changed=!0,t){var r=this._updates.paintProps;r[t]||(r[t]={}),r[t][e||\"all\"]=!0}else this._updates.allPaintProps=!0;return this},serialize:function(){return c.filterObject({version:this.stylesheet.version,name:this.stylesheet.name,metadata:this.stylesheet.metadata,center:this.stylesheet.center,zoom:this.stylesheet.zoom,bearing:this.stylesheet.bearing,pitch:this.stylesheet.pitch,sprite:this.stylesheet.sprite,glyphs:this.stylesheet.glyphs,transition:this.stylesheet.transition,sources:c.mapObject(this.sources,function(t){return t.serialize()}),layers:this._order.map(function(t){return this._layers[t].serialize()},this)},function(t){return void 0!==t})},_updateLayer:function(t){return this._updates.layers[t.id]=!0,t.source&&(this._updates.sources[t.source]=!0),this._updates.changed=!0,this},_flattenRenderedFeatures:function(t){for(var e=[],r=this._order.length-1;r>=0;r--)for(var n=this._order[r],i=0;i<t.length;i++){var o=t[i][n];if(o)for(var a=0;a<o.length;a++)e.push(o[a])}return e},queryRenderedFeatures:function(t,e,r,n){e&&e.filter&&this._handleErrors(m.filter,\"queryRenderedFeatures.filter\",e.filter,!0);var i=[];for(var o in this.sources){var a=this.sources[o];a.queryRenderedFeatures&&i.push(a.queryRenderedFeatures(t,e,r,n))}return this._flattenRenderedFeatures(i)},querySourceFeatures:function(t,e){e&&e.filter&&this._handleErrors(m.filter,\"querySourceFeatures.filter\",e.filter,!0);var r=this.getSource(t);return r&&r.querySourceFeatures?r.querySourceFeatures(e):[]},_handleErrors:function(t,e,r,n,i){var o=n?m.throwErrors:m.emitErrors,a=t.call(m,c.extend({key:e,style:this.serialize(),value:r,styleSpec:y},i));return o.call(m,this,a)},_remove:function(){this.dispatcher.remove()},_reloadSource:function(t){this.sources[t].reload()},_updateSources:function(t){for(var e in this.sources)this.sources[e].update(t)},_redoPlacement:function(){for(var t in this.sources)this.sources[t].redoPlacement&&this.sources[t].redoPlacement()},_forwardSourceEvent:function(t){this.fire(\"source.\"+t.type,c.extend({source:t.target},t))},_forwardTileEvent:function(t){this.fire(t.type,c.extend({source:t.target},t))},_forwardLayerEvent:function(t){this.fire(\"layer.\"+t.type,c.extend({layer:{id:t.target.id}},t))},\"get sprite json\":function(t,e){var r=this.sprite;r.loaded()?e(null,{sprite:r.data,retina:r.retina}):r.on(\"load\",function(){e(null,{sprite:r.data,retina:r.retina})})},\"get icons\":function(t,e){var r=this.sprite,n=this.spriteAtlas;r.loaded()?(n.setSprite(r),n.addIcons(t.icons,e)):r.on(\"load\",function(){n.setSprite(r),n.addIcons(t.icons,e)})},\"get glyphs\":function(t,e){function r(t,r,n){t&&console.error(t),o[n]=r,i--,0===i&&e(null,o)}var n=t.stacks,i=Object.keys(n).length,o={};for(var a in n)this.glyphSource.getSimpleGlyphs(a,n[a],t.uid,r)}})},{\"../render/line_atlas\":270,\"../source/source\":279,\"../symbol/glyph_source\":311,\"../symbol/sprite_atlas\":316,\"../util/ajax\":334,\"../util/browser\":335,\"../util/dispatcher\":337,\"../util/evented\":341,\"../util/mapbox\":346,\"../util/util\":349,\"./animation_loop\":287,\"./image_sprite\":288,\"./style_function\":292,\"./style_layer\":293,\"./style_spec\":300,\"./validate_style\":302}],291:[function(t,e,r){\"use strict\";function n(t,e){this.type=t.type,this.transitionable=t.transition,this.value=s.clone(e),this.isFunction=!!e.stops,this.json=JSON.stringify(this.value);var r=\"color\"===this.type?a(this.value):e;if(this.calculate=o[t.function||\"piecewise-constant\"](r),this.isFeatureConstant=this.calculate.isFeatureConstant,this.isZoomConstant=this.calculate.isZoomConstant,\"piecewise-constant\"===t.function&&t.transition&&(this.calculate=i(this.calculate)),!this.isFeatureConstant&&!this.isZoomConstant){this.stopZoomLevels=[];for(var n=[],l=this.value.stops,u=0;u<this.value.stops.length;u++){var c=l[u][0].zoom;this.stopZoomLevels.indexOf(c)<0&&(this.stopZoomLevels.push(c),n.push([c,n.length]))}this.calculateInterpolationT=o.interpolated({stops:n,base:e.base})}}function i(t){return function(e,r){var n,i,o,a=e.zoom,s=e.zoomHistory,l=e.duration,u=a%1,c=Math.min((Date.now()-s.lastIntegerZoomTime)/l,1),h=1,f=1;return a>s.lastIntegerZoom?(n=u+(1-u)*c,h*=2,i=t({zoom:a-1},r),o=t({zoom:a},r)):(n=1-(1-c)*u,o=t({zoom:a},r),i=t({zoom:a+1},r),h/=2),{from:i,fromScale:h,to:o,toScale:f,t:n}}}var o=t(\"./style_function\"),a=t(\"./parse_color\"),s=t(\"../util/util\");e.exports=n},{\"../util/util\":349,\"./parse_color\":289,\"./style_function\":292}],292:[function(t,e,r){\"use strict\";var n=t(\"mapbox-gl-function\");r.interpolated=function(t){var e=n.interpolated(t),r=function(t,r){return e(t&&t.zoom,r||{})};return r.isFeatureConstant=e.isFeatureConstant,r.isZoomConstant=e.isZoomConstant,r},r[\"piecewise-constant\"]=function(t){var e=n[\"piecewise-constant\"](t),r=function(t,r){return e(t&&t.zoom,r||{})};return r.isFeatureConstant=e.isFeatureConstant,r.isZoomConstant=e.isZoomConstant,r},r.isFunctionDefinition=n.isFunctionDefinition},{\"mapbox-gl-function\":374}],293:[function(t,e,r){\"use strict\";function n(t,e){this.set(t,e)}function i(t){return t.value}var o=t(\"../util/util\"),a=t(\"./style_transition\"),s=t(\"./style_declaration\"),l=t(\"./style_spec\"),u=t(\"./validate_style\"),c=t(\"./parse_color\"),h=t(\"../util/evented\");e.exports=n;var f=\"-transition\";n.create=function(e,r){var n={background:t(\"./style_layer/background_style_layer\"),circle:t(\"./style_layer/circle_style_layer\"),fill:t(\"./style_layer/fill_style_layer\"),line:t(\"./style_layer/line_style_layer\"),raster:t(\"./style_layer/raster_style_layer\"),symbol:t(\"./style_layer/symbol_style_layer\")};return new n[(r||e).type](e,r)},n.prototype=o.inherit(h,{set:function(t,e){this.id=t.id,this.ref=t.ref,this.metadata=t.metadata,this.type=(e||t).type,this.source=(e||t).source,this.sourceLayer=(e||t)[\"source-layer\"],this.minzoom=(e||t).minzoom,this.maxzoom=(e||t).maxzoom,this.filter=(e||t).filter,this.paint={},this.layout={},this._paintSpecifications=l[\"paint_\"+this.type],this._layoutSpecifications=l[\"layout_\"+this.type],this._paintTransitions={},this._paintTransitionOptions={},this._paintDeclarations={},this._layoutDeclarations={},this._layoutFunctions={};var r,n;for(var i in t){var o=i.match(/^paint(?:\\.(.*))?$/);if(o){var a=o[1]||\"\";for(r in t[i])this.setPaintProperty(r,t[i][r],a)}}if(this.ref)this._layoutDeclarations=e._layoutDeclarations;else for(n in t.layout)this.setLayoutProperty(n,t.layout[n]);for(r in this._paintSpecifications)this.paint[r]=this.getPaintValue(r);\nfor(n in this._layoutSpecifications)this._updateLayoutValue(n)},setLayoutProperty:function(t,e){if(null==e)delete this._layoutDeclarations[t];else{var r=\"layers.\"+this.id+\".layout.\"+t;if(this._handleErrors(u.layoutProperty,r,t,e))return;this._layoutDeclarations[t]=new s(this._layoutSpecifications[t],e)}this._updateLayoutValue(t)},getLayoutProperty:function(t){return this._layoutDeclarations[t]&&this._layoutDeclarations[t].value},getLayoutValue:function(t,e,r){var n=this._layoutSpecifications[t],i=this._layoutDeclarations[t];return i?i.calculate(e,r):n.default},setPaintProperty:function(t,e,r){var n=\"layers.\"+this.id+(r?'[\"paint.'+r+'\"].':\".paint.\")+t;if(o.endsWith(t,f))if(this._paintTransitionOptions[r||\"\"]||(this._paintTransitionOptions[r||\"\"]={}),null===e||void 0===e)delete this._paintTransitionOptions[r||\"\"][t];else{if(this._handleErrors(u.paintProperty,n,t,e))return;this._paintTransitionOptions[r||\"\"][t]=e}else if(this._paintDeclarations[r||\"\"]||(this._paintDeclarations[r||\"\"]={}),null===e||void 0===e)delete this._paintDeclarations[r||\"\"][t];else{if(this._handleErrors(u.paintProperty,n,t,e))return;this._paintDeclarations[r||\"\"][t]=new s(this._paintSpecifications[t],e)}},getPaintProperty:function(t,e){return e=e||\"\",o.endsWith(t,f)?this._paintTransitionOptions[e]&&this._paintTransitionOptions[e][t]:this._paintDeclarations[e]&&this._paintDeclarations[e][t]&&this._paintDeclarations[e][t].value},getPaintValue:function(t,e,r){var n=this._paintSpecifications[t],i=this._paintTransitions[t];return i?i.calculate(e,r):\"color\"===n.type&&n.default?c(n.default):n.default},getPaintValueStopZoomLevels:function(t){var e=this._paintTransitions[t];return e?e.declaration.stopZoomLevels:[]},getPaintInterpolationT:function(t,e){var r=this._paintTransitions[t];return r.declaration.calculateInterpolationT({zoom:e})},isPaintValueFeatureConstant:function(t){var e=this._paintTransitions[t];return e?e.declaration.isFeatureConstant:!0},isPaintValueZoomConstant:function(t){var e=this._paintTransitions[t];return e?e.declaration.isZoomConstant:!0},isHidden:function(t){return this.minzoom&&t<this.minzoom?!0:this.maxzoom&&t>=this.maxzoom?!0:\"none\"===this.layout.visibility?!0:0===this.paint[this.type+\"-opacity\"]},updatePaintTransitions:function(t,e,r,n){for(var i=o.extend({},this._paintDeclarations[\"\"]),a=0;a<t.length;a++)o.extend(i,this._paintDeclarations[t[a]]);var s;for(s in i)this._applyPaintDeclaration(s,i[s],e,r,n);for(s in this._paintTransitions)s in i||this._applyPaintDeclaration(s,null,e,r,n)},updatePaintTransition:function(t,e,r,n,i){for(var o=this._paintDeclarations[\"\"][t],a=0;a<e.length;a++){var s=this._paintDeclarations[e[a]];s&&s[t]&&(o=s[t])}this._applyPaintDeclaration(t,o,r,n,i)},recalculate:function(t,e){for(var r in this._paintTransitions)this.paint[r]=this.getPaintValue(r,{zoom:t,zoomHistory:e});for(var n in this._layoutFunctions)this.layout[n]=this.getLayoutValue(n,{zoom:t,zoomHistory:e})},serialize:function(t){var e={id:this.id,ref:this.ref,metadata:this.metadata,minzoom:this.minzoom,maxzoom:this.maxzoom};for(var r in this._paintDeclarations){var n=\"\"===r?\"paint\":\"paint.\"+r;e[n]=o.mapObject(this._paintDeclarations[r],i)}return(!this.ref||t&&t.includeRefProperties)&&o.extend(e,{type:this.type,source:this.source,\"source-layer\":this.sourceLayer,filter:this.filter,layout:o.mapObject(this._layoutDeclarations,i)}),o.filterObject(e,function(t,e){return void 0!==t&&!(\"layout\"===e&&!Object.keys(t).length)})},_applyPaintDeclaration:function(t,e,r,n,i){var l=r.transition?this._paintTransitions[t]:void 0;if(null===e||void 0===e){var u=this._paintSpecifications[t];e=new s(u,u.default)}if(!l||l.declaration.json!==e.json){var c=o.extend({duration:300,delay:0},n,this.getPaintProperty(t+f)),h=this._paintTransitions[t]=new a(e,l,c);h.instant()||(h.loopID=i.set(h.endTime-Date.now())),l&&i.cancel(l.loopID)}},_updateLayoutValue:function(t){var e=this._layoutDeclarations[t];e&&e.isFunction?this._layoutFunctions[t]=!0:(delete this._layoutFunctions[t],this.layout[t]=this.getLayoutValue(t))},_handleErrors:function(t,e,r,n){return u.emitErrors(this,t.call(u,{key:e,layerType:this.type,objectKey:r,value:n,styleSpec:l,style:{glyphs:!0,sprite:!0}}))}})},{\"../util/evented\":341,\"../util/util\":349,\"./parse_color\":289,\"./style_declaration\":291,\"./style_layer/background_style_layer\":294,\"./style_layer/circle_style_layer\":295,\"./style_layer/fill_style_layer\":296,\"./style_layer/line_style_layer\":297,\"./style_layer/raster_style_layer\":298,\"./style_layer/symbol_style_layer\":299,\"./style_spec\":300,\"./style_transition\":301,\"./validate_style\":302}],294:[function(t,e,r){\"use strict\";function n(){o.apply(this,arguments)}var i=t(\"../../util/util\"),o=t(\"../style_layer\");e.exports=n,n.prototype=i.inherit(o,{})},{\"../../util/util\":349,\"../style_layer\":293}],295:[function(t,e,r){\"use strict\";function n(){o.apply(this,arguments)}var i=t(\"../../util/util\"),o=t(\"../style_layer\");e.exports=n,n.prototype=i.inherit(o,{})},{\"../../util/util\":349,\"../style_layer\":293}],296:[function(t,e,r){\"use strict\";function n(){o.apply(this,arguments)}var i=t(\"../../util/util\"),o=t(\"../style_layer\");e.exports=n,n.prototype=i.inherit(o,{})},{\"../../util/util\":349,\"../style_layer\":293}],297:[function(t,e,r){\"use strict\";function n(){o.apply(this,arguments)}var i=t(\"../../util/util\"),o=t(\"../style_layer\");e.exports=n,n.prototype=i.inherit(o,{getPaintValue:function(t,e,r){var n=o.prototype.getPaintValue.apply(this,arguments);if(n&&\"line-dasharray\"===t){var i=Math.floor(e.zoom);this._flooredZoom!==i&&(this._flooredZoom=i,this._flooredLineWidth=this.getPaintValue(\"line-width\",e,r)),n.fromScale*=this._flooredLineWidth,n.toScale*=this._flooredLineWidth}return n}})},{\"../../util/util\":349,\"../style_layer\":293}],298:[function(t,e,r){\"use strict\";function n(){o.apply(this,arguments)}var i=t(\"../../util/util\"),o=t(\"../style_layer\");e.exports=n,n.prototype=i.inherit(o,{})},{\"../../util/util\":349,\"../style_layer\":293}],299:[function(t,e,r){\"use strict\";function n(){o.apply(this,arguments)}var i=t(\"../../util/util\"),o=t(\"../style_layer\");e.exports=n,n.prototype=i.inherit(o,{isHidden:function(){if(o.prototype.isHidden.apply(this,arguments))return!0;var t=0===this.paint[\"text-opacity\"]||!this.layout[\"text-field\"],e=0===this.paint[\"icon-opacity\"]||!this.layout[\"icon-image\"];return!(!t||!e)},getLayoutValue:function(t,e,r){return(\"text-rotation-alignment\"!==t||\"line\"!==this.getLayoutValue(\"symbol-placement\",e,r)||this.getLayoutProperty(\"text-rotation-alignment\"))&&(\"icon-rotation-alignment\"!==t||\"line\"!==this.getLayoutValue(\"symbol-placement\",e,r)||this.getLayoutProperty(\"icon-rotation-alignment\"))?o.prototype.getLayoutValue.apply(this,arguments):\"map\"}})},{\"../../util/util\":349,\"../style_layer\":293}],300:[function(t,e,r){\"use strict\";e.exports=t(\"mapbox-gl-style-spec/reference/latest\")},{\"mapbox-gl-style-spec/reference/latest\":397}],301:[function(t,e,r){\"use strict\";function n(t,e,r){this.declaration=t,this.startTime=this.endTime=(new Date).getTime();var n=t.type;\"string\"!==n&&\"array\"!==n||!t.transitionable?this.interp=a[n]:this.interp=i,this.oldTransition=e,this.duration=r.duration||0,this.delay=r.delay||0,this.instant()||(this.endTime=this.startTime+this.duration+this.delay,this.ease=o.easeCubicInOut),e&&e.endTime<=this.startTime&&delete e.oldTransition}function i(t,e,r){return{from:t.to,fromScale:t.toScale,to:e.to,toScale:e.toScale,t:r}}var o=t(\"../util/util\"),a=t(\"../util/interpolate\");e.exports=n,n.prototype.instant=function(){return!this.oldTransition||!this.interp||0===this.duration&&0===this.delay},n.prototype.calculate=function(t,e){var r=this.declaration.calculate(o.extend({},t,{duration:this.duration}),e);if(this.instant())return r;var n=t.time||Date.now();if(n<this.endTime){var i=this.oldTransition.calculate(o.extend({},t,{time:this.startTime}),e),a=this.ease((n-this.startTime-this.delay)/this.duration);r=this.interp(i,r,a)}return r}},{\"../util/interpolate\":343,\"../util/util\":349}],302:[function(t,e,r){\"use strict\";e.exports=t(\"mapbox-gl-style-spec/lib/validate_style.min\"),e.exports.emitErrors=function(t,e){if(e&&e.length){for(var r=0;r<e.length;r++)t.fire(\"error\",{error:new Error(e[r].message)});return!0}return!1},e.exports.throwErrors=function(t,e){if(e)for(var r=0;r<e.length;r++)throw new Error(e[r].message)}},{\"mapbox-gl-style-spec/lib/validate_style.min\":396}],303:[function(t,e,r){\"use strict\";function n(t,e,r,n){this.x=t,this.y=e,this.angle=r,void 0!==n&&(this.segment=n)}var i=t(\"point-geometry\");e.exports=n,n.prototype=Object.create(i.prototype),n.prototype.clone=function(){return new n(this.x,this.y,this.angle,this.segment)}},{\"point-geometry\":404}],304:[function(t,e,r){\"use strict\";function n(t,e,r,n,i){if(void 0===e.segment)return!0;for(var o=e,a=e.segment+1,s=0;s>-r/2;){if(a--,0>a)return!1;s-=t[a].dist(o),o=t[a]}s+=t[a].dist(t[a+1]),a++;for(var l=[],u=0;r/2>s;){var c=t[a-1],h=t[a],f=t[a+1];if(!f)return!1;var d=c.angleTo(h)-h.angleTo(f);for(d=Math.abs((d+3*Math.PI)%(2*Math.PI)-Math.PI),l.push({distance:s,angleDelta:d}),u+=d;s-l[0].distance>n;)u-=l.shift().angleDelta;if(u>i)return!1;a++,s+=h.dist(f)}return!0}e.exports=n},{}],305:[function(t,e,r){\"use strict\";function n(t,e,r,n,o){for(var a=[],s=0;s<t.length;s++)for(var l,u=t[s],c=0;c<u.length-1;c++){var h=u[c],f=u[c+1];h.x<e&&f.x<e||(h.x<e?h=new i(e,h.y+(f.y-h.y)*((e-h.x)/(f.x-h.x)))._round():f.x<e&&(f=new i(e,h.y+(f.y-h.y)*((e-h.x)/(f.x-h.x)))._round()),h.y<r&&f.y<r||(h.y<r?h=new i(h.x+(f.x-h.x)*((r-h.y)/(f.y-h.y)),r)._round():f.y<r&&(f=new i(h.x+(f.x-h.x)*((r-h.y)/(f.y-h.y)),r)._round()),h.x>=n&&f.x>=n||(h.x>=n?h=new i(n,h.y+(f.y-h.y)*((n-h.x)/(f.x-h.x)))._round():f.x>=n&&(f=new i(n,h.y+(f.y-h.y)*((n-h.x)/(f.x-h.x)))._round()),h.y>=o&&f.y>=o||(h.y>=o?h=new i(h.x+(f.x-h.x)*((o-h.y)/(f.y-h.y)),o)._round():f.y>=o&&(f=new i(h.x+(f.x-h.x)*((o-h.y)/(f.y-h.y)),o)._round()),l&&h.equals(l[l.length-1])||(l=[h],a.push(l)),l.push(f)))))}return a}var i=t(\"point-geometry\");e.exports=n},{\"point-geometry\":404}],306:[function(t,e,r){\"use strict\";var n=t(\"../util/struct_array\"),i=t(\"../util/util\"),o=t(\"point-geometry\"),a=e.exports=new n({members:[{type:\"Int16\",name:\"anchorPointX\"},{type:\"Int16\",name:\"anchorPointY\"},{type:\"Int16\",name:\"x1\"},{type:\"Int16\",name:\"y1\"},{type:\"Int16\",name:\"x2\"},{type:\"Int16\",name:\"y2\"},{type:\"Float32\",name:\"maxScale\"},{type:\"Uint32\",name:\"featureIndex\"},{type:\"Uint16\",name:\"sourceLayerIndex\"},{type:\"Uint16\",name:\"bucketIndex\"},{type:\"Int16\",name:\"bbox0\"},{type:\"Int16\",name:\"bbox1\"},{type:\"Int16\",name:\"bbox2\"},{type:\"Int16\",name:\"bbox3\"},{type:\"Float32\",name:\"placementScale\"}]});i.extendAll(a.prototype.StructType.prototype,{get anchorPoint(){return new o(this.anchorPointX,this.anchorPointY)}})},{\"../util/struct_array\":347,\"../util/util\":349,\"point-geometry\":404}],307:[function(t,e,r){\"use strict\";function n(t,e,r,n,i,o,a,s,l,u,c){var h=a.top*s-l,f=a.bottom*s+l,d=a.left*s-l,p=a.right*s+l;if(this.boxStartIndex=t.length,u){var v=f-h,m=p-d;if(v>0)if(v=Math.max(10*s,v),c){var g=e[r.segment+1].sub(e[r.segment])._unit()._mult(m),y=[r.sub(g),r.add(g)];this._addLineCollisionBoxes(t,y,r,0,m,v,n,i,o)}else this._addLineCollisionBoxes(t,e,r,r.segment,m,v,n,i,o)}else t.emplaceBack(r.x,r.y,d,h,p,f,1/0,n,i,o,0,0,0,0,0);this.boxEndIndex=t.length}e.exports=n,n.prototype._addLineCollisionBoxes=function(t,e,r,n,i,o,a,s,l){var u=o/2,c=Math.floor(i/u),h=-o/2,f=this.boxes,d=r,p=n+1,v=h;do{if(p--,0>p)return f;v-=e[p].dist(d),d=e[p]}while(v>-i/2);for(var m=e[p].dist(e[p+1]),g=0;c>g;g++){for(var y=-i/2+g*u;y>v+m;){if(v+=m,p++,p+1>=e.length)return f;m=e[p].dist(e[p+1])}var b=y-v,x=e[p],_=e[p+1],w=_.sub(x)._unit()._mult(b)._add(x)._round(),M=Math.max(Math.abs(y-h)-u/2,0),k=i/2/M;t.emplaceBack(w.x,w.y,-o/2,-o/2,o/2,o/2,k,a,s,l,0,0,0,0,0)}return f}},{}],308:[function(t,e,r){\"use strict\";function n(t,e,r){if(\"object\"==typeof t){var n=t;r=e,t=n.angle,e=n.pitch,this.grid=new a(n.grid),this.ignoredGrid=new a(n.ignoredGrid)}else this.grid=new a(o,12,6),this.ignoredGrid=new a(o,12,0);this.angle=t,this.pitch=e;var i=Math.sin(t),s=Math.cos(t);if(this.rotationMatrix=[s,-i,i,s],this.reverseRotationMatrix=[s,i,-i,s],this.yStretch=1/Math.cos(e/180*Math.PI),this.yStretch=Math.pow(this.yStretch,1.3),this.collisionBoxArray=r,0===r.length){r.emplaceBack();var l=32767;r.emplaceBack(0,0,0,-l,0,l,l,0,0,0,0,0,0,0,0,0),r.emplaceBack(o,0,0,-l,0,l,l,0,0,0,0,0,0,0,0,0),r.emplaceBack(0,0,-l,0,l,0,l,0,0,0,0,0,0,0,0,0),r.emplaceBack(0,o,-l,0,l,0,l,0,0,0,0,0,0,0,0,0)}this.tempCollisionBox=r.get(0),this.edges=[r.get(1),r.get(2),r.get(3),r.get(4)]}var i=t(\"point-geometry\"),o=t(\"../data/bucket\").EXTENT,a=t(\"grid-index\");e.exports=n,n.prototype.serialize=function(){var t={angle:this.angle,pitch:this.pitch,grid:this.grid.toArrayBuffer(),ignoredGrid:this.ignoredGrid.toArrayBuffer()};return{data:t,transferables:[t.grid,t.ignoredGrid]}},n.prototype.minScale=.25,n.prototype.maxScale=2,n.prototype.placeCollisionFeature=function(t,e,r){for(var n=this.collisionBoxArray,o=this.minScale,a=this.rotationMatrix,s=this.yStretch,l=t.boxStartIndex;l<t.boxEndIndex;l++){var u=n.get(l),c=u.anchorPoint._matMult(a),h=c.x,f=c.y,d=h+u.x1,p=f+u.y1*s,v=h+u.x2,m=f+u.y2*s;if(u.bbox0=d,u.bbox1=p,u.bbox2=v,u.bbox3=m,!e)for(var g=this.grid.query(d,p,v,m),y=0;y<g.length;y++){var b=n.get(g[y]),x=b.anchorPoint._matMult(a);if(o=this.getPlacementScale(o,c,u,x,b),o>=this.maxScale)return o}if(r){var _;if(this.angle){var w=this.reverseRotationMatrix,M=new i(u.x1,u.y1).matMult(w),k=new i(u.x2,u.y1).matMult(w),A=new i(u.x1,u.y2).matMult(w),T=new i(u.x2,u.y2).matMult(w);_=this.tempCollisionBox,_.anchorPointX=u.anchorPoint.x,_.anchorPointY=u.anchorPoint.y,_.x1=Math.min(M.x,k.x,A.x,T.x),_.y1=Math.min(M.y,k.x,A.x,T.x),_.x2=Math.max(M.x,k.x,A.x,T.x),_.y2=Math.max(M.y,k.x,A.x,T.x),_.maxScale=u.maxScale}else _=u;for(var E=0;E<this.edges.length;E++){var S=this.edges[E];if(o=this.getPlacementScale(o,u.anchorPoint,_,S.anchorPoint,S),o>=this.maxScale)return o}}}return o},n.prototype.queryRenderedSymbols=function(t,e,r,n,o){var a={},s=[],l=this.collisionBoxArray,u=this.rotationMatrix,c=new i(t,e)._matMult(u),h=this.tempCollisionBox;h.anchorX=c.x,h.anchorY=c.y,h.x1=0,h.y1=0,h.x2=r-t,h.y2=n-e,h.maxScale=o,o=h.maxScale;for(var f=[c.x+h.x1/o,c.y+h.y1/o*this.yStretch,c.x+h.x2/o,c.y+h.y2/o*this.yStretch],d=this.grid.query(f[0],f[1],f[2],f[3]),p=this.ignoredGrid.query(f[0],f[1],f[2],f[3]),v=0;v<p.length;v++)d.push(p[v]);for(var m=0;m<d.length;m++){var g=l.get(d[m]),y=g.sourceLayerIndex,b=g.featureIndex;if(void 0===a[y]&&(a[y]={}),!a[y][b]){var x=g.anchorPoint.matMult(u),_=this.getPlacementScale(this.minScale,c,h,x,g);_>=o&&(a[y][b]=!0,s.push(d[m]))}}return s},n.prototype.getPlacementScale=function(t,e,r,n,i){var o=e.x-n.x,a=e.y-n.y,s=(i.x1-r.x2)/o,l=(i.x2-r.x1)/o,u=(i.y1-r.y2)*this.yStretch/a,c=(i.y2-r.y1)*this.yStretch/a;(isNaN(s)||isNaN(l))&&(s=l=1),(isNaN(u)||isNaN(c))&&(u=c=1);var h=Math.min(Math.max(s,l),Math.max(u,c)),f=i.maxScale,d=r.maxScale;return h>f&&(h=f),h>d&&(h=d),h>t&&h>=i.placementScale&&(t=h),t},n.prototype.insertCollisionFeature=function(t,e,r){for(var n=r?this.ignoredGrid:this.grid,i=this.collisionBoxArray,o=t.boxStartIndex;o<t.boxEndIndex;o++){var a=i.get(o);a.placementScale=e,e<this.maxScale&&n.insert(o,a.bbox0,a.bbox1,a.bbox2,a.bbox3)}}},{\"../data/bucket\":247,\"grid-index\":373,\"point-geometry\":404}],309:[function(t,e,r){\"use strict\";function n(t,e,r,n,o,a,s,l,u){var c=n?.6*a*s:0,h=Math.max(n?n.right-n.left:0,o?o.right-o.left:0),f=0===t[0].x||t[0].x===u||0===t[0].y||t[0].y===u;e/4>e-h*s&&(e=h*s+e/4);var d=2*a,p=f?e/2*l%e:(h/2+d)*s*l%e;return i(t,p,e,c,r,h*s,f,!1,u)}function i(t,e,r,n,l,u,c,h,f){for(var d=u/2,p=0,v=0;v<t.length-1;v++)p+=t[v].dist(t[v+1]);for(var m=0,g=e-r,y=[],b=0;b<t.length-1;b++){for(var x=t[b],_=t[b+1],w=x.dist(_),M=_.angleTo(x);m+w>g+r;){g+=r;var k=(g-m)/w,A=o(x.x,_.x,k),T=o(x.y,_.y,k);if(A>=0&&f>A&&T>=0&&f>T&&g-d>=0&&p>=g+d){var E=new a(A,T,M,b)._round();n&&!s(t,E,u,n,l)||y.push(E)}}m+=w}return h||y.length||c||(y=i(t,m/2,r,n,l,u,c,!0,f)),y}var o=t(\"../util/interpolate\"),a=t(\"../symbol/anchor\"),s=t(\"./check_max_angle\");e.exports=n},{\"../symbol/anchor\":303,\"../util/interpolate\":343,\"./check_max_angle\":304}],310:[function(t,e,r){\"use strict\";function n(t,e){this.width=t,this.height=e,this.bin=new i(t,e),this.index={},this.ids={},this.data=new Uint8Array(t*e)}var i=t(\"shelf-pack\");e.exports=n,n.prototype.getGlyphs=function(){var t,e,r,n={};for(var i in this.ids)t=i.split(\"#\"),e=t[0],r=t[1],n[e]||(n[e]=[]),n[e].push(r);return n},n.prototype.getRects=function(){var t,e,r,n={};for(var i in this.ids)t=i.split(\"#\"),e=t[0],r=t[1],n[e]||(n[e]={}),n[e][r]=this.index[i];return n},n.prototype.addGlyph=function(t,e,r,n){if(!r)return null;var i=e+\"#\"+r.id;if(this.index[i])return this.ids[i].indexOf(t)<0&&this.ids[i].push(t),this.index[i];if(!r.bitmap)return null;var o=r.width+2*n,a=r.height+2*n,s=1,l=o+2*s,u=a+2*s;l+=4-l%4,u+=4-u%4;var c=this.bin.packOne(l,u);if(c||(this.resize(),c=this.bin.packOne(l,u)),!c)return console.warn(\"glyph bitmap overflow\"),null;this.index[i]=c,this.ids[i]=[t];for(var h=this.data,f=r.bitmap,d=0;a>d;d++)for(var p=this.width*(c.y+d+s)+c.x+s,v=o*d,m=0;o>m;m++)h[p+m]=f[v+m];return this.dirty=!0,c},n.prototype.resize=function(){var t=this.width,e=this.height;if(!(t>512||e>512)){this.texture&&(this.gl&&this.gl.deleteTexture(this.texture),this.texture=null),this.width*=2,this.height*=2,this.bin.resize(this.width,this.height);for(var r,n,i=new ArrayBuffer(this.width*this.height),o=0;e>o;o++)r=new Uint8Array(this.data.buffer,e*o,t),n=new Uint8Array(i,e*o*2,t),n.set(r);this.data=new Uint8Array(i)}},n.prototype.bind=function(t){this.gl=t,this.texture?t.bindTexture(t.TEXTURE_2D,this.texture):(this.texture=t.createTexture(),t.bindTexture(t.TEXTURE_2D,this.texture),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_MAG_FILTER,t.LINEAR),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_MIN_FILTER,t.LINEAR),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_WRAP_S,t.CLAMP_TO_EDGE),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_WRAP_T,t.CLAMP_TO_EDGE),t.texImage2D(t.TEXTURE_2D,0,t.ALPHA,this.width,this.height,0,t.ALPHA,t.UNSIGNED_BYTE,null))},n.prototype.updateTexture=function(t){this.bind(t),this.dirty&&(t.texSubImage2D(t.TEXTURE_2D,0,0,0,this.width,this.height,t.ALPHA,t.UNSIGNED_BYTE,this.data),this.dirty=!1)}},{\"shelf-pack\":406}],311:[function(t,e,r){\"use strict\";function n(t){this.url=t&&a(t),this.atlases={},this.stacks={},this.loading={}}function i(t,e,r){var n=1;this.advance=t.advance,this.left=t.left-r-n,this.top=t.top+r+n,this.rect=e}function o(t,e,r,n){return n=n||\"abc\",r.replace(\"{s}\",n[t.length%n.length]).replace(\"{fontstack}\",t).replace(\"{range}\",e)}var a=t(\"../util/mapbox\").normalizeGlyphsURL,s=t(\"../util/ajax\").getArrayBuffer,l=t(\"../util/glyphs\"),u=t(\"../symbol/glyph_atlas\"),c=t(\"pbf\");e.exports=n,n.prototype.getSimpleGlyphs=function(t,e,r,n){void 0===this.stacks[t]&&(this.stacks[t]={}),void 0===this.atlases[t]&&(this.atlases[t]=new u(128,128));for(var o,a={},s=this.stacks[t],l=this.atlases[t],c=3,h={},f=0,d=0;d<e.length;d++){var p=e[d];if(o=Math.floor(p/256),s[o]){var v=s[o].glyphs[p],m=l.addGlyph(r,t,v,c);v&&(a[p]=new i(v,m,c))}else void 0===h[o]&&(h[o]=[],f++),h[o].push(p)}f||n(void 0,a,t);var g=function(e,o,s){if(!e)for(var u=this.stacks[t][o]=s.stacks[0],d=0;d<h[o].length;d++){var p=h[o][d],v=u.glyphs[p],m=l.addGlyph(r,t,v,c);v&&(a[p]=new i(v,m,c))}f--,f||n(void 0,a,t)}.bind(this);for(var y in h)this.loadRange(t,y,g)},n.prototype.loadRange=function(t,e,r){if(256*e>65535)return r(\"glyphs > 65535 not supported\");void 0===this.loading[t]&&(this.loading[t]={});var n=this.loading[t];if(n[e])n[e].push(r);else{n[e]=[r];var i=256*e+\"-\"+(256*e+255),a=o(t,i,this.url);s(a,function(t,r){for(var i=!t&&new l(new c(new Uint8Array(r))),o=0;o<n[e].length;o++)n[e][o](t,e,i);delete n[e]})}},n.prototype.getGlyphAtlas=function(t){return this.atlases[t]}},{\"../symbol/glyph_atlas\":310,\"../util/ajax\":334,\"../util/glyphs\":342,\"../util/mapbox\":346,pbf:402}],312:[function(t,e,r){\"use strict\";e.exports=function(t,e,r){function n(n){c.push(t[n]),h.push(r[n]),f.push(e[n]),d++}function i(t,e,r){var n=u[t];return delete u[t],u[e]=n,h[n][0].pop(),h[n][0]=h[n][0].concat(r[0]),n}function o(t,e,r){var n=l[e];return delete l[e],l[t]=n,h[n][0].shift(),h[n][0]=r[0].concat(h[n][0]),n}function a(t,e,r){var n=r?e[0][e[0].length-1]:e[0][0];return t+\":\"+n.x+\":\"+n.y}var s,l={},u={},c=[],h=[],f=[],d=0;for(s=0;s<t.length;s++){var p=r[s],v=e[s];if(v){var m=a(v,p),g=a(v,p,!0);if(m in u&&g in l&&u[m]!==l[g]){var y=o(m,g,p),b=i(m,g,h[y]);delete l[m],delete u[g],u[a(v,h[b],!0)]=b,h[y]=null}else m in u?i(m,g,p):g in l?o(m,g,p):(n(s),l[m]=d-1,u[g]=d-1)}else n(s)}return{features:c,textFeatures:f,geometries:h}}},{}],313:[function(t,e,r){\"use strict\";function n(t,e,r,n,i,o,a,s,l){this.anchorPoint=t,this.tl=e,this.tr=r,this.bl=n,this.br=i,this.tex=o,this.angle=a,this.minScale=s,this.maxScale=l}function i(t,e,r,i,o,a){var u=e.image.rect,c=1,h=e.left-c,f=h+u.w/e.image.pixelRatio,d=e.top-c,p=d+u.h/e.image.pixelRatio,v=new s(h,d),m=new s(f,d),g=new s(f,p),y=new s(h,p),b=o[\"icon-rotate\"]*Math.PI/180;if(a){var x=i[t.segment];if(t.y===x.y&&t.x===x.x&&t.segment+1<i.length){var _=i[t.segment+1];b+=Math.atan2(t.y-_.y,t.x-_.x)+Math.PI}else b+=Math.atan2(t.y-x.y,t.x-x.x)}if(b){var w=Math.sin(b),M=Math.cos(b),k=[M,-w,w,M];v=v.matMult(k),m=m.matMult(k),y=y.matMult(k),g=g.matMult(k)}return[new n(new s(t.x,t.y),v,m,y,g,e.image.rect,0,l,1/0)]}function o(t,e,r,i,o,u){for(var c=o[\"text-rotate\"]*Math.PI/180,h=o[\"text-keep-upright\"],f=e.positionedGlyphs,d=[],p=0;p<f.length;p++){var v=f[p],m=v.glyph,g=m.rect;if(g){var y,b=(v.x+m.advance/2)*r,x=l;u?(y=[],x=a(y,t,b,i,t.segment,!0),h&&(x=Math.min(x,a(y,t,b,i,t.segment,!1)))):y=[{anchorPoint:new s(t.x,t.y),offset:0,angle:0,maxScale:1/0,minScale:l}];for(var _=v.x+m.left,w=v.y-m.top,M=_+g.w,k=w+g.h,A=new s(_,w),T=new s(M,w),E=new s(_,k),S=new s(M,k),L=0;L<y.length;L++){var z=y[L],I=A,P=T,C=E,R=S,D=z.angle+c;if(D){var O=Math.sin(D),F=Math.cos(D),j=[F,-O,O,F];I=I.matMult(j),P=P.matMult(j),C=C.matMult(j),R=R.matMult(j)}var N=Math.max(z.minScale,x),B=(t.angle+c+z.offset+2*Math.PI)%(2*Math.PI);d.push(new n(z.anchorPoint,I,P,C,R,g,B,N,z.maxScale))}}}return d}function a(t,e,r,n,i,o){var a=!o;0>r&&(o=!o),o&&i++;var u=new s(e.x,e.y),c=n[i],h=1/0;r=Math.abs(r);for(var f=l;;){var d=u.dist(c),p=r/d,v=Math.atan2(c.y-u.y,c.x-u.x);if(o||(v+=Math.PI),a&&(v+=Math.PI),t.push({anchorPoint:u,offset:a?Math.PI:0,minScale:p,maxScale:h,angle:(v+2*Math.PI)%(2*Math.PI)}),f>=p)break;for(u=c;u.equals(c);)if(i+=o?1:-1,c=n[i],!c)return p;var m=c.sub(u)._unit();u=u.sub(m._mult(d)),h=p}return f}var s=t(\"point-geometry\");e.exports={getIconQuads:i,getGlyphQuads:o};var l=.5},{\"point-geometry\":404}],314:[function(t,e,r){\"use strict\";function n(t,e,r){for(var n=[],o=0,a=t.length;a>o;o++){var s=i(t[o].properties,e[\"text-field\"]);if(s){s=s.toString();var l=e[\"text-transform\"];\"uppercase\"===l?s=s.toLocaleUpperCase():\"lowercase\"===l&&(s=s.toLocaleLowerCase());for(var u=0;u<s.length;u++)r[s.charCodeAt(u)]=!0;n[o]=s}else n[o]=null}return n}var i=t(\"../util/token\");e.exports=n},{\"../util/token\":348}],315:[function(t,e,r){\"use strict\";function n(t,e,r,n){this.codePoint=t,this.x=e,this.y=r,this.glyph=n}function i(t,e,r,n,i,o){this.positionedGlyphs=t,this.text=e,this.top=r,this.bottom=n,this.left=i,this.right=o}function o(t,e,r,o,s,l,u,c,h){for(var f=[],d=new i(f,t,h[1],h[1],h[0],h[0]),p=-17,v=0,m=p,g=0;g<t.length;g++){var y=t.charCodeAt(g),b=e[y];b&&(f.push(new n(y,v,m,b)),v+=b.advance+c)}return f.length?(a(d,e,o,r,s,l,u,h),d):!1}function a(t,e,r,n,i,o,a,u){var c=null,d=0,p=0,v=0,m=0,g=t.positionedGlyphs;if(n)for(var y=0;y<g.length;y++){var b=g[y];if(b.x-=d,b.y+=r*v,b.x>n&&null!==c){var x=g[c+1].x;m=Math.max(x,m);for(var _=c+1;y>=_;_++)g[_].y+=r,g[_].x-=x;if(a){var w=c;h[g[c].codePoint]&&w--,s(g,e,p,w,a)}p=c+1,c=null,d+=x,v++}f[b.codePoint]&&(c=y)}var M=g[g.length-1],k=M.x+e[M.codePoint].advance;m=Math.max(m,k);var A=(v+1)*r;s(g,e,p,g.length-1,a),l(g,a,i,o,m,r,v,u),t.top+=-o*A,t.bottom=t.top+A,t.left+=-i*m,t.right=t.left+m}function s(t,e,r,n,i){for(var o=e[t[n].codePoint].advance,a=(t[n].x+o)*i,s=r;n>=s;s++)t[s].x-=a}function l(t,e,r,n,i,o,a,s){for(var l=(e-r)*i+s[0],u=(-n*(a+1)+.5)*o+s[1],c=0;c<t.length;c++)t[c].x+=l,t[c].y+=u}function u(t,e){if(!t||!t.rect)return null;var r=e[\"icon-offset\"][0],n=e[\"icon-offset\"][1],i=r-t.width/2,o=i+t.width,a=n-t.height/2,s=a+t.height;return new c(t,a,s,i,o)}function c(t,e,r,n,i){this.image=t,this.top=e,this.bottom=r,this.left=n,this.right=i}e.exports={shapeText:o,shapeIcon:u};var h={32:!0,8203:!0},f={32:!0,38:!0,43:!0,45:!0,47:!0,173:!0,183:!0,8203:!0,8208:!0,8211:!0}},{}],316:[function(t,e,r){\"use strict\";function n(t,e){this.width=t,this.height=e,this.bin=new a(t,e),this.images={},this.data=!1,this.texture=0,this.filter=0,this.pixelRatio=1,this.dirty=!0}function i(t,e,r,n,i,o,a,s,l,u,c){var h,f,d=n*e+r,p=s*o+a;if(c)for(p-=o,f=-1;u>=f;f++,d=((f+u)%u+n)*e+r,p+=o)for(h=-1;l>=h;h++)i[p+h]=t[d+(h+l)%l];else for(f=0;u>f;f++,d+=e,p+=o)for(h=0;l>h;h++)i[p+h]=t[d+h]}function o(t,e,r,n,i){this.rect=t,this.width=e,this.height=r,this.sdf=n,this.pixelRatio=i}var a=t(\"shelf-pack\"),s=t(\"../util/browser\");e.exports=n,n.prototype.allocateImage=function(t,e){t/=this.pixelRatio,e/=this.pixelRatio;var r=2,n=t+r+(4-(t+r)%4),i=e+r+(4-(e+r)%4),o=this.bin.packOne(n,i);return o?o:(console.warn(\"SpriteAtlas out of space.\"),null)},n.prototype.getImage=function(t,e){if(this.images[t])return this.images[t];if(!this.sprite)return null;var r=this.sprite.getSpritePosition(t);if(!r.width||!r.height)return null;var n=this.allocateImage(r.width,r.height);if(!n)return null;var i=new o(n,r.width/r.pixelRatio,r.height/r.pixelRatio,r.sdf,r.pixelRatio/this.pixelRatio);return this.images[t]=i,this.copy(n,r,e),i},n.prototype.getPosition=function(t,e){var r=this.getImage(t,e),n=r&&r.rect;if(!n)return null;var i=r.width*r.pixelRatio,o=r.height*r.pixelRatio,a=1;return{size:[r.width,r.height],tl:[(n.x+a)/this.width,(n.y+a)/this.height],br:[(n.x+a+i)/this.width,(n.y+a+o)/this.height]}},n.prototype.allocate=function(){if(!this.data){var t=Math.floor(this.width*this.pixelRatio),e=Math.floor(this.height*this.pixelRatio);this.data=new Uint32Array(t*e);for(var r=0;r<this.data.length;r++)this.data[r]=0}},n.prototype.copy=function(t,e,r){if(this.sprite.img.data){var n=new Uint32Array(this.sprite.img.data.buffer);this.allocate();var o=this.data,a=1;i(n,this.sprite.img.width,e.x,e.y,o,this.width*this.pixelRatio,(t.x+a)*this.pixelRatio,(t.y+a)*this.pixelRatio,e.width,e.height,r),this.dirty=!0}},n.prototype.setSprite=function(t){t&&(this.pixelRatio=s.devicePixelRatio>1?2:1,this.canvas&&(this.canvas.width=this.width*this.pixelRatio,this.canvas.height=this.height*this.pixelRatio)),this.sprite=t},n.prototype.addIcons=function(t,e){for(var r=0;r<t.length;r++)this.getImage(t[r]);e(null,this.images)},n.prototype.bind=function(t,e){var r=!1;this.texture?t.bindTexture(t.TEXTURE_2D,this.texture):(this.texture=t.createTexture(),t.bindTexture(t.TEXTURE_2D,this.texture),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_WRAP_S,t.CLAMP_TO_EDGE),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_WRAP_T,t.CLAMP_TO_EDGE),r=!0);var n=e?t.LINEAR:t.NEAREST;n!==this.filter&&(t.texParameteri(t.TEXTURE_2D,t.TEXTURE_MIN_FILTER,n),t.texParameteri(t.TEXTURE_2D,t.TEXTURE_MAG_FILTER,n),this.filter=n),this.dirty&&(this.allocate(),r?t.texImage2D(t.TEXTURE_2D,0,t.RGBA,this.width*this.pixelRatio,this.height*this.pixelRatio,0,t.RGBA,t.UNSIGNED_BYTE,new Uint8Array(this.data.buffer)):t.texSubImage2D(t.TEXTURE_2D,0,0,0,this.width*this.pixelRatio,this.height*this.pixelRatio,t.RGBA,t.UNSIGNED_BYTE,new Uint8Array(this.data.buffer)),this.dirty=!1)}},{\"../util/browser\":335,\"shelf-pack\":406}],317:[function(t,e,r){\"use strict\";var n=t(\"../util/util\"),i=t(\"../util/interpolate\"),o=t(\"../util/browser\"),a=t(\"../geo/lng_lat\"),s=t(\"../geo/lng_lat_bounds\"),l=t(\"point-geometry\"),u=e.exports=function(){};n.extend(u.prototype,{getCenter:function(){return this.transform.center},setCenter:function(t,e){return this.jumpTo({center:t},e),this},panBy:function(t,e,r){return this.panTo(this.transform.center,n.extend({offset:l.convert(t).mult(-1)},e),r),this},panTo:function(t,e,r){return this.easeTo(n.extend({center:t},e),r)},getZoom:function(){return this.transform.zoom},setZoom:function(t,e){return this.jumpTo({zoom:t},e),this},zoomTo:function(t,e,r){return this.easeTo(n.extend({zoom:t},e),r)},zoomIn:function(t,e){return this.zoomTo(this.getZoom()+1,t,e),this},zoomOut:function(t,e){return this.zoomTo(this.getZoom()-1,t,e),this},getBearing:function(){return this.transform.bearing},setBearing:function(t,e){return this.jumpTo({bearing:t},e),this},rotateTo:function(t,e,r){return this.easeTo(n.extend({bearing:t},e),r)},resetNorth:function(t,e){return this.rotateTo(0,n.extend({duration:1e3},t),e),this},snapToNorth:function(t,e){return Math.abs(this.getBearing())<this.options.bearingSnap?this.resetNorth(t,e):this},getPitch:function(){return this.transform.pitch},setPitch:function(t,e){return this.jumpTo({pitch:t},e),this},fitBounds:function(t,e,r){e=n.extend({padding:0,offset:[0,0],maxZoom:1/0},e),t=s.convert(t);var i=l.convert(e.offset),o=this.transform,a=o.project(t.getNorthWest()),u=o.project(t.getSouthEast()),c=u.sub(a),h=(o.width-2*e.padding-2*Math.abs(i.x))/c.x,f=(o.height-2*e.padding-2*Math.abs(i.y))/c.y;return e.center=o.unproject(a.add(u).div(2)),e.zoom=Math.min(o.scaleZoom(o.scale*Math.min(h,f)),e.maxZoom),e.bearing=0,e.linear?this.easeTo(e,r):this.flyTo(e,r)},jumpTo:function(t,e){this.stop();var r=this.transform,n=!1,i=!1,o=!1;return\"zoom\"in t&&r.zoom!==+t.zoom&&(n=!0,r.zoom=+t.zoom),\"center\"in t&&(r.center=a.convert(t.center)),\"bearing\"in t&&r.bearing!==+t.bearing&&(i=!0,r.bearing=+t.bearing),\"pitch\"in t&&r.pitch!==+t.pitch&&(o=!0,r.pitch=+t.pitch),this.fire(\"movestart\",e).fire(\"move\",e),n&&this.fire(\"zoomstart\",e).fire(\"zoom\",e).fire(\"zoomend\",e),i&&this.fire(\"rotate\",e),o&&this.fire(\"pitch\",e),this.fire(\"moveend\",e)},easeTo:function(t,e){this.stop(),t=n.extend({offset:[0,0],duration:500,easing:n.ease},t);var r,o,s=this.transform,u=l.convert(t.offset),c=this.getZoom(),h=this.getBearing(),f=this.getPitch(),d=\"zoom\"in t?+t.zoom:c,p=\"bearing\"in t?this._normalizeBearing(t.bearing,h):h,v=\"pitch\"in t?+t.pitch:f;\"center\"in t?(r=a.convert(t.center),o=s.centerPoint.add(u)):\"around\"in t?(r=a.convert(t.around),o=s.locationPoint(r)):(o=s.centerPoint.add(u),r=s.pointLocation(o));var m=s.locationPoint(r);return t.animate===!1&&(t.duration=0),this.zooming=d!==c,this.rotating=h!==p,this.pitching=v!==f,t.noMoveStart||this.fire(\"movestart\",e),this.zooming&&this.fire(\"zoomstart\",e),clearTimeout(this._onEaseEnd),this._ease(function(t){this.zooming&&(s.zoom=i(c,d,t)),this.rotating&&(s.bearing=i(h,p,t)),this.pitching&&(s.pitch=i(f,v,t)),s.setLocationAtPoint(r,m.add(o.sub(m)._mult(t))),this.fire(\"move\",e),this.zooming&&this.fire(\"zoom\",e),this.rotating&&this.fire(\"rotate\",e),this.pitching&&this.fire(\"pitch\",e)},function(){t.delayEndEvents?this._onEaseEnd=setTimeout(this._easeToEnd.bind(this,e),t.delayEndEvents):this._easeToEnd(e)}.bind(this),t),this},_easeToEnd:function(t){this.zooming&&this.fire(\"zoomend\",t),this.fire(\"moveend\",t),this.zooming=!1,this.rotating=!1,this.pitching=!1},flyTo:function(t,e){function r(t){var e=(A*A-k*k+(t?-1:1)*L*L*T*T)/(2*(t?A:k)*L*T);return Math.log(Math.sqrt(e*e+1)-e)}function o(t){return(Math.exp(t)-Math.exp(-t))/2}function s(t){return(Math.exp(t)+Math.exp(-t))/2}function u(t){return o(t)/s(t)}this.stop(),t=n.extend({offset:[0,0],speed:1.2,curve:1.42,easing:n.ease},t);var c=this.transform,h=l.convert(t.offset),f=this.getZoom(),d=this.getBearing(),p=this.getPitch(),v=\"center\"in t?a.convert(t.center):this.getCenter(),m=\"zoom\"in t?+t.zoom:f,g=\"bearing\"in t?this._normalizeBearing(t.bearing,d):d,y=\"pitch\"in t?+t.pitch:p;Math.abs(c.center.lng)+Math.abs(v.lng)>180&&(c.center.lng>0&&v.lng<0?v.lng+=360:c.center.lng<0&&v.lng>0&&(v.lng-=360));var b=c.zoomScale(m-f),x=c.point,_=\"center\"in t?c.project(v).sub(h.div(b)):x,w=c.worldSize,M=t.curve,k=Math.max(c.width,c.height),A=k/b,T=_.sub(x).mag();\nif(\"minZoom\"in t){var E=n.clamp(Math.min(t.minZoom,f,m),c.minZoom,c.maxZoom),S=k/c.zoomScale(E-f);M=Math.sqrt(S/T*2)}var L=M*M,z=r(0),I=function(t){return s(z)/s(z+M*t)},P=function(t){return k*((s(z)*u(z+M*t)-o(z))/L)/T},C=(r(1)-z)/M;if(Math.abs(T)<1e-6){if(Math.abs(k-A)<1e-6)return this.easeTo(t);var R=k>A?-1:1;C=Math.abs(Math.log(A/k))/M,P=function(){return 0},I=function(t){return Math.exp(R*M*t)}}if(\"duration\"in t)t.duration=+t.duration;else{var D=\"screenSpeed\"in t?+t.screenSpeed/M:+t.speed;t.duration=1e3*C/D}return this.zooming=!0,d!==g&&(this.rotating=!0),p!==y&&(this.pitching=!0),this.fire(\"movestart\",e),this.fire(\"zoomstart\",e),this._ease(function(t){var r=t*C,n=P(r);c.zoom=f+c.scaleZoom(1/I(r)),c.center=c.unproject(x.add(_.sub(x).mult(n)),w),this.rotating&&(c.bearing=i(d,g,t)),this.pitching&&(c.pitch=i(p,y,t)),this.fire(\"move\",e),this.fire(\"zoom\",e),this.rotating&&this.fire(\"rotate\",e),this.pitching&&this.fire(\"pitch\",e)},function(){this.fire(\"zoomend\",e),this.fire(\"moveend\",e),this.zooming=!1,this.rotating=!1,this.pitching=!1},t),this},isEasing:function(){return!!this._abortFn},stop:function(){return this._abortFn&&(this._abortFn(),this._finishEase()),this},_ease:function(t,e,r){this._finishFn=e,this._abortFn=o.timed(function(e){t.call(this,r.easing(e)),1===e&&this._finishEase()},r.animate===!1?0:r.duration,this)},_finishEase:function(){delete this._abortFn;var t=this._finishFn;delete this._finishFn,t.call(this)},_normalizeBearing:function(t,e){t=n.wrap(t,-180,180);var r=Math.abs(t-e);return Math.abs(t-360-e)<r&&(t-=360),Math.abs(t+360-e)<r&&(t+=360),t},_updateEasing:function(t,e,r){var i;if(this.ease){var o=this.ease,a=(Date.now()-o.start)/o.duration,s=o.easing(a+.01)-o.easing(a),l=.27/Math.sqrt(s*s+1e-4)*.01,u=Math.sqrt(.0729-l*l);i=n.bezier(l,u,.25,1)}else i=r?n.bezier.apply(n,r):n.ease;return this.ease={start:(new Date).getTime(),to:Math.pow(2,e),duration:t,easing:i},i}})},{\"../geo/lng_lat\":256,\"../geo/lng_lat_bounds\":257,\"../util/browser\":335,\"../util/interpolate\":343,\"../util/util\":349,\"point-geometry\":404}],318:[function(t,e,r){\"use strict\";function n(t){a.setOptions(this,t)}var i=t(\"./control\"),o=t(\"../../util/dom\"),a=t(\"../../util/util\");e.exports=n,n.createAttributionString=function(t){var e=[];for(var r in t){var n=t[r];n.attribution&&e.indexOf(n.attribution)<0&&e.push(n.attribution)}return e.sort(function(t,e){return t.length-e.length}),e=e.filter(function(t,r){for(var n=r+1;n<e.length;n++)if(e[n].indexOf(t)>=0)return!1;return!0}),e.join(\" | \")},n.prototype=a.inherit(i,{options:{position:\"bottom-right\"},onAdd:function(t){var e=\"mapboxgl-ctrl-attrib\",r=this._container=o.create(\"div\",e,t.getContainer());return this._update(),t.on(\"source.load\",this._update.bind(this)),t.on(\"source.change\",this._update.bind(this)),t.on(\"source.remove\",this._update.bind(this)),t.on(\"moveend\",this._updateEditLink.bind(this)),r},_update:function(){this._map.style&&(this._container.innerHTML=n.createAttributionString(this._map.style.sources)),this._editLink=this._container.getElementsByClassName(\"mapbox-improve-map\")[0],this._updateEditLink()},_updateEditLink:function(){if(this._editLink){var t=this._map.getCenter();this._editLink.href=\"https://www.mapbox.com/map-feedback/#/\"+t.lng+\"/\"+t.lat+\"/\"+Math.round(this._map.getZoom()+1)}}})},{\"../../util/dom\":338,\"../../util/util\":349,\"./control\":319}],319:[function(t,e,r){\"use strict\";function n(){}e.exports=n,n.prototype={addTo:function(t){this._map=t;var e=this._container=this.onAdd(t);if(this.options&&this.options.position){var r=this.options.position,n=t._controlCorners[r];e.className+=\" mapboxgl-ctrl\",-1!==r.indexOf(\"bottom\")?n.insertBefore(e,n.firstChild):n.appendChild(e)}return this},remove:function(){return this._container.parentNode.removeChild(this._container),this.onRemove&&this.onRemove(this._map),this._map=null,this}}},{}],320:[function(t,e,r){\"use strict\";function n(t){s.setOptions(this,t)}var i=t(\"./control\"),o=t(\"../../util/browser\"),a=t(\"../../util/dom\"),s=t(\"../../util/util\");e.exports=n;var l={enableHighAccuracy:!1,timeout:6e3};n.prototype=s.inherit(i,{options:{position:\"top-right\"},onAdd:function(t){var e=\"mapboxgl-ctrl\",r=this._container=a.create(\"div\",e+\"-group\",t.getContainer());return o.supportsGeolocation?(this._container.addEventListener(\"contextmenu\",this._onContextMenu.bind(this)),this._geolocateButton=a.create(\"button\",e+\"-icon \"+e+\"-geolocate\",this._container),this._geolocateButton.addEventListener(\"click\",this._onClickGeolocate.bind(this)),r):r},_onContextMenu:function(t){t.preventDefault()},_onClickGeolocate:function(){navigator.geolocation.getCurrentPosition(this._success.bind(this),this._error.bind(this),l),this._timeoutId=setTimeout(this._finish.bind(this),1e4)},_success:function(t){this._map.jumpTo({center:[t.coords.longitude,t.coords.latitude],zoom:17,bearing:0,pitch:0}),this._finish()},_error:function(){this._finish()},_finish:function(){this._timeoutId&&clearTimeout(this._timeoutId),this._timeoutId=void 0}})},{\"../../util/browser\":335,\"../../util/dom\":338,\"../../util/util\":349,\"./control\":319}],321:[function(t,e,r){\"use strict\";function n(t){s.setOptions(this,t)}function i(t){return new MouseEvent(t.type,{button:2,buttons:2,bubbles:!0,cancelable:!0,detail:t.detail,view:t.view,screenX:t.screenX,screenY:t.screenY,clientX:t.clientX,clientY:t.clientY,movementX:t.movementX,movementY:t.movementY,ctrlKey:t.ctrlKey,shiftKey:t.shiftKey,altKey:t.altKey,metaKey:t.metaKey})}var o=t(\"./control\"),a=t(\"../../util/dom\"),s=t(\"../../util/util\");e.exports=n,n.prototype=s.inherit(o,{options:{position:\"top-right\"},onAdd:function(t){var e=\"mapboxgl-ctrl\",r=this._container=a.create(\"div\",e+\"-group\",t.getContainer());return this._container.addEventListener(\"contextmenu\",this._onContextMenu.bind(this)),this._zoomInButton=this._createButton(e+\"-icon \"+e+\"-zoom-in\",t.zoomIn.bind(t)),this._zoomOutButton=this._createButton(e+\"-icon \"+e+\"-zoom-out\",t.zoomOut.bind(t)),this._compass=this._createButton(e+\"-icon \"+e+\"-compass\",t.resetNorth.bind(t)),this._compassArrow=a.create(\"div\",\"arrow\",this._compass),this._compass.addEventListener(\"mousedown\",this._onCompassDown.bind(this)),this._onCompassMove=this._onCompassMove.bind(this),this._onCompassUp=this._onCompassUp.bind(this),t.on(\"rotate\",this._rotateCompassArrow.bind(this)),this._rotateCompassArrow(),this._el=t.getCanvasContainer(),r},_onContextMenu:function(t){t.preventDefault()},_onCompassDown:function(t){0===t.button&&(a.disableDrag(),document.addEventListener(\"mousemove\",this._onCompassMove),document.addEventListener(\"mouseup\",this._onCompassUp),this._el.dispatchEvent(i(t)),t.stopPropagation())},_onCompassMove:function(t){0===t.button&&(this._el.dispatchEvent(i(t)),t.stopPropagation())},_onCompassUp:function(t){0===t.button&&(document.removeEventListener(\"mousemove\",this._onCompassMove),document.removeEventListener(\"mouseup\",this._onCompassUp),a.enableDrag(),this._el.dispatchEvent(i(t)),t.stopPropagation())},_createButton:function(t,e){var r=a.create(\"button\",t,this._container);return r.addEventListener(\"click\",function(){e()}),r},_rotateCompassArrow:function(){var t=\"rotate(\"+this._map.transform.angle*(180/Math.PI)+\"deg)\";this._compassArrow.style.transform=t}})},{\"../../util/dom\":338,\"../../util/util\":349,\"./control\":319}],322:[function(t,e,r){\"use strict\";function n(t){this._map=t,this._el=t.getCanvasContainer(),this._container=t.getContainer(),a.bindHandlers(this)}var i=t(\"../../util/dom\"),o=t(\"../../geo/lng_lat_bounds\"),a=t(\"../../util/util\");e.exports=n,n.prototype={_enabled:!1,_active:!1,isEnabled:function(){return this._enabled},isActive:function(){return this._active},enable:function(){this.isEnabled()||(this._el.addEventListener(\"mousedown\",this._onMouseDown,!1),this._enabled=!0)},disable:function(){this.isEnabled()&&(this._el.removeEventListener(\"mousedown\",this._onMouseDown),this._enabled=!1)},_onMouseDown:function(t){t.shiftKey&&0===t.button&&(document.addEventListener(\"mousemove\",this._onMouseMove,!1),document.addEventListener(\"keydown\",this._onKeyDown,!1),document.addEventListener(\"mouseup\",this._onMouseUp,!1),i.disableDrag(),this._startPos=i.mousePos(this._el,t),this._active=!0)},_onMouseMove:function(t){var e=this._startPos,r=i.mousePos(this._el,t);this._box||(this._box=i.create(\"div\",\"mapboxgl-boxzoom\",this._container),this._container.classList.add(\"mapboxgl-crosshair\"),this._fireEvent(\"boxzoomstart\",t));var n=Math.min(e.x,r.x),o=Math.max(e.x,r.x),a=Math.min(e.y,r.y),s=Math.max(e.y,r.y);i.setTransform(this._box,\"translate(\"+n+\"px,\"+a+\"px)\"),this._box.style.width=o-n+\"px\",this._box.style.height=s-a+\"px\"},_onMouseUp:function(t){if(0===t.button){var e=this._startPos,r=i.mousePos(this._el,t),n=new o(this._map.unproject(e),this._map.unproject(r));this._finish(),e.x===r.x&&e.y===r.y?this._fireEvent(\"boxzoomcancel\",t):this._map.fitBounds(n,{linear:!0}).fire(\"boxzoomend\",{originalEvent:t,boxZoomBounds:n})}},_onKeyDown:function(t){27===t.keyCode&&(this._finish(),this._fireEvent(\"boxzoomcancel\",t))},_finish:function(){this._active=!1,document.removeEventListener(\"mousemove\",this._onMouseMove,!1),document.removeEventListener(\"keydown\",this._onKeyDown,!1),document.removeEventListener(\"mouseup\",this._onMouseUp,!1),this._container.classList.remove(\"mapboxgl-crosshair\"),this._box&&(this._box.parentNode.removeChild(this._box),this._box=null),i.enableDrag()},_fireEvent:function(t,e){return this._map.fire(t,{originalEvent:e})}}},{\"../../geo/lng_lat_bounds\":257,\"../../util/dom\":338,\"../../util/util\":349}],323:[function(t,e,r){\"use strict\";function n(t){this._map=t,this._onDblClick=this._onDblClick.bind(this)}e.exports=n,n.prototype={_enabled:!1,isEnabled:function(){return this._enabled},enable:function(){this.isEnabled()||(this._map.on(\"dblclick\",this._onDblClick),this._enabled=!0)},disable:function(){this.isEnabled()&&(this._map.off(\"dblclick\",this._onDblClick),this._enabled=!1)},_onDblClick:function(t){this._map.zoomTo(this._map.getZoom()+(t.originalEvent.shiftKey?-1:1),{around:t.lngLat})}}},{}],324:[function(t,e,r){\"use strict\";function n(t){this._map=t,this._el=t.getCanvasContainer(),o.bindHandlers(this)}var i=t(\"../../util/dom\"),o=t(\"../../util/util\");e.exports=n;var a=.3,s=o.bezier(0,0,a,1),l=1400,u=2500;n.prototype={_enabled:!1,_active:!1,isEnabled:function(){return this._enabled},isActive:function(){return this._active},enable:function(){this.isEnabled()||(this._el.addEventListener(\"mousedown\",this._onDown),this._el.addEventListener(\"touchstart\",this._onDown),this._enabled=!0)},disable:function(){this.isEnabled()&&(this._el.removeEventListener(\"mousedown\",this._onDown),this._el.removeEventListener(\"touchstart\",this._onDown),this._enabled=!1)},_onDown:function(t){this._ignoreEvent(t)||this.isActive()||(t.touches?(document.addEventListener(\"touchmove\",this._onMove),document.addEventListener(\"touchend\",this._onTouchEnd)):(document.addEventListener(\"mousemove\",this._onMove),document.addEventListener(\"mouseup\",this._onMouseUp)),this._active=!1,this._startPos=this._pos=i.mousePos(this._el,t),this._inertia=[[Date.now(),this._pos]])},_onMove:function(t){if(!this._ignoreEvent(t)){this.isActive()||(this._active=!0,this._fireEvent(\"dragstart\",t),this._fireEvent(\"movestart\",t));var e=i.mousePos(this._el,t),r=this._map;r.stop(),this._drainInertiaBuffer(),this._inertia.push([Date.now(),e]),r.transform.setLocationAtPoint(r.transform.pointLocation(this._pos),e),this._fireEvent(\"drag\",t),this._fireEvent(\"move\",t),this._pos=e,t.preventDefault()}},_onUp:function(t){if(this.isActive()){this._active=!1,this._fireEvent(\"dragend\",t),this._drainInertiaBuffer();var e=function(){this._fireEvent(\"moveend\",t)}.bind(this),r=this._inertia;if(r.length<2)return void e();var n=r[r.length-1],i=r[0],o=n[1].sub(i[1]),c=(n[0]-i[0])/1e3;if(0===c||n[1].equals(i[1]))return void e();var h=o.mult(a/c),f=h.mag();f>l&&(f=l,h._unit()._mult(f));var d=f/(u*a),p=h.mult(-d/2);this._map.panBy(p,{duration:1e3*d,easing:s,noMoveStart:!0},{originalEvent:t})}},_onMouseUp:function(t){this._ignoreEvent(t)||(this._onUp(t),document.removeEventListener(\"mousemove\",this._onMove),document.removeEventListener(\"mouseup\",this._onMouseUp))},_onTouchEnd:function(t){this._ignoreEvent(t)||(this._onUp(t),document.removeEventListener(\"touchmove\",this._onMove),document.removeEventListener(\"touchend\",this._onTouchEnd))},_fireEvent:function(t,e){return this._map.fire(t,{originalEvent:e})},_ignoreEvent:function(t){var e=this._map;if(e.boxZoom&&e.boxZoom.isActive())return!0;if(e.dragRotate&&e.dragRotate.isActive())return!0;if(t.touches)return t.touches.length>1;if(t.ctrlKey)return!0;var r=1,n=0;return\"mousemove\"===t.type?t.buttons&0===r:t.button!==n},_drainInertiaBuffer:function(){for(var t=this._inertia,e=Date.now(),r=160;t.length>0&&e-t[0][0]>r;)t.shift()}}},{\"../../util/dom\":338,\"../../util/util\":349}],325:[function(t,e,r){\"use strict\";function n(t){this._map=t,this._el=t.getCanvasContainer(),a.bindHandlers(this)}var i=t(\"../../util/dom\"),o=t(\"point-geometry\"),a=t(\"../../util/util\");e.exports=n;var s=.25,l=a.bezier(0,0,s,1),u=180,c=720;n.prototype={_enabled:!1,_active:!1,isEnabled:function(){return this._enabled},isActive:function(){return this._active},enable:function(){this.isEnabled()||(this._el.addEventListener(\"mousedown\",this._onDown),this._enabled=!0)},disable:function(){this.isEnabled()&&(this._el.removeEventListener(\"mousedown\",this._onDown),this._enabled=!1)},_onDown:function(t){if(!this._ignoreEvent(t)&&!this.isActive()){document.addEventListener(\"mousemove\",this._onMove),document.addEventListener(\"mouseup\",this._onUp),this._active=!1,this._inertia=[[Date.now(),this._map.getBearing()]],this._startPos=this._pos=i.mousePos(this._el,t),this._center=this._map.transform.centerPoint;var e=this._startPos.sub(this._center),r=e.mag();200>r&&(this._center=this._startPos.add(new o(-200,0)._rotate(e.angle()))),t.preventDefault()}},_onMove:function(t){if(!this._ignoreEvent(t)){this.isActive()||(this._active=!0,this._fireEvent(\"rotatestart\",t),this._fireEvent(\"movestart\",t));var e=this._map;e.stop();var r=this._pos,n=i.mousePos(this._el,t),o=this._center,a=r.sub(o).angleWith(n.sub(o))/Math.PI*180,s=e.getBearing()-a,l=this._inertia,u=l[l.length-1];this._drainInertiaBuffer(),l.push([Date.now(),e._normalizeBearing(s,u[1])]),e.transform.bearing=s,this._fireEvent(\"rotate\",t),this._fireEvent(\"move\",t),this._pos=n}},_onUp:function(t){if(!this._ignoreEvent(t)&&(document.removeEventListener(\"mousemove\",this._onMove),document.removeEventListener(\"mouseup\",this._onUp),this.isActive())){this._active=!1,this._fireEvent(\"rotateend\",t),this._drainInertiaBuffer();var e=this._map,r=e.getBearing(),n=this._inertia,i=function(){Math.abs(r)<e.options.bearingSnap?e.resetNorth({noMoveStart:!0},{originalEvent:t}):this._fireEvent(\"moveend\",t)}.bind(this);if(n.length<2)return void i();var o=n[0],a=n[n.length-1],h=n[n.length-2],f=e._normalizeBearing(r,h[1]),d=a[1]-o[1],p=0>d?-1:1,v=(a[0]-o[0])/1e3;if(0===d||0===v)return void i();var m=Math.abs(d*(s/v));m>u&&(m=u);var g=m/(c*s),y=p*m*(g/2);f+=y,Math.abs(e._normalizeBearing(f,0))<e.options.bearingSnap&&(f=e._normalizeBearing(0,f)),e.rotateTo(f,{duration:1e3*g,easing:l,noMoveStart:!0},{originalEvent:t})}},_fireEvent:function(t,e){return this._map.fire(t,{originalEvent:e})},_ignoreEvent:function(t){var e=this._map;if(e.boxZoom&&e.boxZoom.isActive())return!0;if(e.dragPan&&e.dragPan.isActive())return!0;if(t.touches)return t.touches.length>1;var r=t.ctrlKey?1:2,n=t.ctrlKey?0:2;return\"mousemove\"===t.type?t.buttons&0===r:t.button!==n},_drainInertiaBuffer:function(){for(var t=this._inertia,e=Date.now(),r=160;t.length>0&&e-t[0][0]>r;)t.shift()}}},{\"../../util/dom\":338,\"../../util/util\":349,\"point-geometry\":404}],326:[function(t,e,r){\"use strict\";function n(t){this._map=t,this._el=t.getCanvasContainer(),this._onKeyDown=this._onKeyDown.bind(this)}e.exports=n;var i=80,o=2,a=5;n.prototype={_enabled:!1,isEnabled:function(){return this._enabled},enable:function(){this.isEnabled()||(this._el.addEventListener(\"keydown\",this._onKeyDown,!1),this._enabled=!0)},disable:function(){this.isEnabled()&&(this._el.removeEventListener(\"keydown\",this._onKeyDown),this._enabled=!1)},_onKeyDown:function(t){if(!(t.altKey||t.ctrlKey||t.metaKey)){var e=this._map,r={originalEvent:t};switch(t.keyCode){case 61:case 107:case 171:case 187:e.zoomTo(Math.round(e.getZoom())+(t.shiftKey?2:1),r);break;case 189:case 109:case 173:e.zoomTo(Math.round(e.getZoom())-(t.shiftKey?2:1),r);break;case 37:t.shiftKey?e.easeTo({bearing:e.getBearing()-o},r):(t.preventDefault(),e.panBy([-i,0],r));break;case 39:t.shiftKey?e.easeTo({bearing:e.getBearing()+o},r):(t.preventDefault(),e.panBy([i,0],r));break;case 38:t.shiftKey?e.easeTo({pitch:e.getPitch()+a},r):(t.preventDefault(),e.panBy([0,-i],r));break;case 40:t.shiftKey?e.easeTo({pitch:Math.max(e.getPitch()-a,0)},r):(t.preventDefault(),e.panBy([0,i],r))}}}}},{}],327:[function(t,e,r){\"use strict\";function n(t){this._map=t,this._el=t.getCanvasContainer(),a.bindHandlers(this)}var i=t(\"../../util/dom\"),o=t(\"../../util/browser\"),a=t(\"../../util/util\");e.exports=n;var s=\"undefined\"!=typeof navigator?navigator.userAgent.toLowerCase():\"\",l=-1!==s.indexOf(\"firefox\"),u=-1!==s.indexOf(\"safari\")&&-1===s.indexOf(\"chrom\");n.prototype={_enabled:!1,isEnabled:function(){return this._enabled},enable:function(){this.isEnabled()||(this._el.addEventListener(\"wheel\",this._onWheel,!1),this._el.addEventListener(\"mousewheel\",this._onWheel,!1),this._enabled=!0)},disable:function(){this.isEnabled()&&(this._el.removeEventListener(\"wheel\",this._onWheel),this._el.removeEventListener(\"mousewheel\",this._onWheel),this._enabled=!1)},_onWheel:function(t){var e;\"wheel\"===t.type?(e=t.deltaY,l&&t.deltaMode===window.WheelEvent.DOM_DELTA_PIXEL&&(e/=o.devicePixelRatio),t.deltaMode===window.WheelEvent.DOM_DELTA_LINE&&(e*=40)):\"mousewheel\"===t.type&&(e=-t.wheelDeltaY,u&&(e/=3));var r=o.now(),n=r-(this._time||0);this._pos=i.mousePos(this._el,t),this._time=r,0!==e&&e%4.000244140625===0?(this._type=\"wheel\",e=Math.floor(e/4)):0!==e&&Math.abs(e)<4?this._type=\"trackpad\":n>400?(this._type=null,this._lastValue=e,this._timeout=setTimeout(this._onTimeout,40)):this._type||(this._type=Math.abs(n*e)<200?\"trackpad\":\"wheel\",this._timeout&&(clearTimeout(this._timeout),this._timeout=null,e+=this._lastValue)),t.shiftKey&&e&&(e/=4),this._type&&this._zoom(-e,t),t.preventDefault()},_onTimeout:function(){this._type=\"wheel\",this._zoom(-this._lastValue)},_zoom:function(t,e){if(0!==t){var r=this._map,n=2/(1+Math.exp(-Math.abs(t/100)));0>t&&0!==n&&(n=1/n);var i=r.ease?r.ease.to:r.transform.scale,o=r.transform.scaleZoom(i*n);r.zoomTo(o,{duration:0,around:r.unproject(this._pos),delayEndEvents:200},{originalEvent:e})}}}},{\"../../util/browser\":335,\"../../util/dom\":338,\"../../util/util\":349}],328:[function(t,e,r){\"use strict\";function n(t){this._map=t,this._el=t.getCanvasContainer(),o.bindHandlers(this)}var i=t(\"../../util/dom\"),o=t(\"../../util/util\");e.exports=n;var a=.15,s=o.bezier(0,0,a,1),l=12,u=2.5,c=.15,h=4;n.prototype={_enabled:!1,isEnabled:function(){return this._enabled},enable:function(){this.isEnabled()||(this._el.addEventListener(\"touchstart\",this._onStart,!1),this._enabled=!0)},disable:function(){this.isEnabled()&&(this._el.removeEventListener(\"touchstart\",this._onStart),this._enabled=!1)},disableRotation:function(){this._rotationDisabled=!0},enableRotation:function(){this._rotationDisabled=!1},_onStart:function(t){if(2===t.touches.length){var e=i.mousePos(this._el,t.touches[0]),r=i.mousePos(this._el,t.touches[1]);this._startVec=e.sub(r),this._startScale=this._map.transform.scale,this._startBearing=this._map.transform.bearing,this._gestureIntent=void 0,this._inertia=[],document.addEventListener(\"touchmove\",this._onMove,!1),document.addEventListener(\"touchend\",this._onEnd,!1)}},_onMove:function(t){if(2===t.touches.length){var e=i.mousePos(this._el,t.touches[0]),r=i.mousePos(this._el,t.touches[1]),n=e.add(r).div(2),o=e.sub(r),a=o.mag()/this._startVec.mag(),s=this._rotationDisabled?0:180*o.angleWith(this._startVec)/Math.PI,l=this._map;if(this._gestureIntent){var u={duration:0,around:l.unproject(n)};\"rotate\"===this._gestureIntent&&(u.bearing=this._startBearing+s),\"zoom\"!==this._gestureIntent&&\"rotate\"!==this._gestureIntent||(u.zoom=l.transform.scaleZoom(this._startScale*a)),l.stop(),this._drainInertiaBuffer(),this._inertia.push([Date.now(),a,n]),l.easeTo(u,{originalEvent:t})}else{var f=Math.abs(1-a)>c,d=Math.abs(s)>h;d?this._gestureIntent=\"rotate\":f&&(this._gestureIntent=\"zoom\"),this._gestureIntent&&(this._startVec=o,this._startScale=l.transform.scale,this._startBearing=l.transform.bearing)}t.preventDefault()}},_onEnd:function(t){document.removeEventListener(\"touchmove\",this._onMove),document.removeEventListener(\"touchend\",this._onEnd),this._drainInertiaBuffer();var e=this._inertia,r=this._map;if(e.length<2)return void r.snapToNorth({},{originalEvent:t});var n=e[e.length-1],i=e[0],o=r.transform.scaleZoom(this._startScale*n[1]),c=r.transform.scaleZoom(this._startScale*i[1]),h=o-c,f=(n[0]-i[0])/1e3,d=n[2];if(0===f||o===c)return void r.snapToNorth({},{originalEvent:t});var p=h*a/f;Math.abs(p)>u&&(p=p>0?u:-u);var v=1e3*Math.abs(p/(l*a)),m=o+p*v/2e3;0>m&&(m=0),r.easeTo({zoom:m,duration:v,easing:s,around:r.unproject(d)},{originalEvent:t})},_drainInertiaBuffer:function(){for(var t=this._inertia,e=Date.now(),r=160;t.length>2&&e-t[0][0]>r;)t.shift()}}},{\"../../util/dom\":338,\"../../util/util\":349}],329:[function(t,e,r){\"use strict\";function n(){i.bindAll([\"_onHashChange\",\"_updateHash\"],this)}e.exports=n;var i=t(\"../util/util\");n.prototype={addTo:function(t){return this._map=t,window.addEventListener(\"hashchange\",this._onHashChange,!1),this._map.on(\"moveend\",this._updateHash),this},remove:function(){return window.removeEventListener(\"hashchange\",this._onHashChange,!1),this._map.off(\"moveend\",this._updateHash),delete this._map,this},_onHashChange:function(){var t=location.hash.replace(\"#\",\"\").split(\"/\");return t.length>=3?(this._map.jumpTo({center:[+t[2],+t[1]],zoom:+t[0],bearing:+(t[3]||0)}),!0):!1},_updateHash:function(){var t=this._map.getCenter(),e=this._map.getZoom(),r=this._map.getBearing(),n=Math.max(0,Math.ceil(Math.log(e)/Math.LN2)),i=\"#\"+Math.round(100*e)/100+\"/\"+t.lat.toFixed(n)+\"/\"+t.lng.toFixed(n)+(r?\"/\"+Math.round(10*r)/10:\"\");window.history.replaceState(\"\",\"\",i)}}},{\"../util/util\":349}],330:[function(t,e,r){\"use strict\";function n(t){this._map=t,this._el=t.getCanvasContainer();for(var e in i)t[e]=new i[e](t);a.bindHandlers(this)}var i={scrollZoom:t(\"./handler/scroll_zoom\"),boxZoom:t(\"./handler/box_zoom\"),dragRotate:t(\"./handler/drag_rotate\"),dragPan:t(\"./handler/drag_pan\"),keyboard:t(\"./handler/keyboard\"),doubleClickZoom:t(\"./handler/dblclick_zoom\"),touchZoomRotate:t(\"./handler/touch_zoom_rotate\")},o=t(\"../util/dom\"),a=t(\"../util/util\"),s=t(\"point-geometry\");e.exports=n,n.prototype={enable:function(){var t=this._map.options,e=this._el;for(var r in i)t[r]&&this._map[r].enable();e.addEventListener(\"mousedown\",this._onMouseDown,!1),e.addEventListener(\"mouseup\",this._onMouseUp,!1),e.addEventListener(\"mousemove\",this._onMouseMove,!1),e.addEventListener(\"touchstart\",this._onTouchStart,!1),e.addEventListener(\"touchend\",this._onTouchEnd,!1),e.addEventListener(\"touchmove\",this._onTouchMove,!1),e.addEventListener(\"touchcancel\",this._onTouchCancel,!1),e.addEventListener(\"click\",this._onClick,!1),e.addEventListener(\"dblclick\",this._onDblClick,!1),e.addEventListener(\"contextmenu\",this._onContextMenu,!1)},disable:function(){var t=this._map.options,e=this._el;for(var r in i)t[r]&&this._map[r].disable();e.removeEventListener(\"mousedown\",this._onMouseDown),e.removeEventListener(\"mouseup\",this._onMouseUp),e.removeEventListener(\"mousemove\",this._onMouseMove),e.removeEventListener(\"touchstart\",this._onTouchStart),e.removeEventListener(\"touchend\",this._onTouchEnd),e.removeEventListener(\"touchmove\",this._onTouchMove),e.removeEventListener(\"touchcancel\",this._onTouchCancel),e.removeEventListener(\"click\",this._onClick),e.removeEventListener(\"dblclick\",this._onDblClick),e.removeEventListener(\"contextmenu\",this._onContextMenu)},_onMouseDown:function(t){this._map.stop(),this._startPos=o.mousePos(this._el,t),this._fireMouseEvent(\"mousedown\",t)},_onMouseUp:function(t){var e=this._map,r=e.dragRotate&&e.dragRotate.isActive();this._contextMenuEvent&&!r&&this._fireMouseEvent(\"contextmenu\",this._contextMenuEvent),this._contextMenuEvent=null,this._fireMouseEvent(\"mouseup\",t)},_onMouseMove:function(t){var e=this._map,r=this._el;if(!(e.dragPan&&e.dragPan.isActive()||e.dragRotate&&e.dragRotate.isActive())){for(var n=t.toElement||t.target;n&&n!==r;)n=n.parentNode;n===r&&this._fireMouseEvent(\"mousemove\",t)}},_onTouchStart:function(t){this._map.stop(),this._fireTouchEvent(\"touchstart\",t),!t.touches||t.touches.length>1||(this._tapped?(clearTimeout(this._tapped),this._tapped=null,this._fireMouseEvent(\"dblclick\",t)):this._tapped=setTimeout(this._onTouchTimeout,300))},_onTouchMove:function(t){this._fireTouchEvent(\"touchmove\",t)},_onTouchEnd:function(t){this._fireTouchEvent(\"touchend\",t)},_onTouchCancel:function(t){this._fireTouchEvent(\"touchcancel\",t)},_onTouchTimeout:function(){this._tapped=null},_onClick:function(t){var e=o.mousePos(this._el,t);e.equals(this._startPos)&&this._fireMouseEvent(\"click\",t)},_onDblClick:function(t){this._fireMouseEvent(\"dblclick\",t),t.preventDefault()},_onContextMenu:function(t){this._contextMenuEvent=t,t.preventDefault()},_fireMouseEvent:function(t,e){var r=o.mousePos(this._el,e);return this._map.fire(t,{lngLat:this._map.unproject(r),point:r,originalEvent:e})},_fireTouchEvent:function(t,e){var r=o.touchPos(this._el,e),n=r.reduce(function(t,e,r,n){return t.add(e.div(n.length))},new s(0,0));return this._map.fire(t,{lngLat:this._map.unproject(n),point:n,lngLats:r.map(function(t){return this._map.unproject(t)},this),points:r,originalEvent:e})}}},{\"../util/dom\":338,\"../util/util\":349,\"./handler/box_zoom\":322,\"./handler/dblclick_zoom\":323,\"./handler/drag_pan\":324,\"./handler/drag_rotate\":325,\"./handler/keyboard\":326,\"./handler/scroll_zoom\":327,\"./handler/touch_zoom_rotate\":328,\"point-geometry\":404}],331:[function(t,e,r){\"use strict\";function n(t){t.parentNode&&t.parentNode.removeChild(t)}var i=t(\"../util/canvas\"),o=t(\"../util/util\"),a=t(\"../util/browser\"),s=t(\"../util/evented\"),l=t(\"../util/dom\"),u=t(\"../style/style\"),c=t(\"../style/animation_loop\"),h=t(\"../render/painter\"),f=t(\"../geo/transform\"),d=t(\"./hash\"),p=t(\"./interaction\"),v=t(\"./camera\"),m=t(\"../geo/lng_lat\"),g=t(\"../geo/lng_lat_bounds\"),y=t(\"point-geometry\"),b=t(\"./control/attribution\"),x=0,_=20,w=e.exports=function(t){t=o.inherit(this.options,t),this._interactive=t.interactive,this._failIfMajorPerformanceCaveat=t.failIfMajorPerformanceCaveat,this._preserveDrawingBuffer=t.preserveDrawingBuffer,\"string\"==typeof t.container?this._container=document.getElementById(t.container):this._container=t.container,this.animationLoop=new c,this.transform=new f(t.minZoom,t.maxZoom),t.maxBounds&&this.setMaxBounds(t.maxBounds),o.bindAll([\"_forwardStyleEvent\",\"_forwardSourceEvent\",\"_forwardLayerEvent\",\"_forwardTileEvent\",\"_onStyleLoad\",\"_onStyleChange\",\"_onSourceAdd\",\"_onSourceRemove\",\"_onSourceUpdate\",\"_onWindowResize\",\"onError\",\"_update\",\"_render\"],this),this._setupContainer(),this._setupPainter(),this.on(\"move\",this._update.bind(this,!1)),this.on(\"zoom\",this._update.bind(this,!0)),this.on(\"moveend\",function(){this.animationLoop.set(300),this._rerender()}.bind(this)),\"undefined\"!=typeof window&&window.addEventListener(\"resize\",this._onWindowResize,!1),this.interaction=new p(this),t.interactive&&this.interaction.enable(),this._hash=t.hash&&(new d).addTo(this),this._hash&&this._hash._onHashChange()||this.jumpTo(t),this.stacks={},this._classes=[],this.resize(),t.classes&&this.setClasses(t.classes),t.style&&this.setStyle(t.style),t.attributionControl&&this.addControl(new b(t.attributionControl)),this.on(\"style.error\",this.onError),this.on(\"source.error\",this.onError),this.on(\"tile.error\",this.onError),this.on(\"layer.error\",this.onError)};o.extend(w.prototype,s),o.extend(w.prototype,v.prototype),o.extend(w.prototype,{options:{center:[0,0],zoom:0,bearing:0,pitch:0,minZoom:x,maxZoom:_,interactive:!0,scrollZoom:!0,boxZoom:!0,dragRotate:!0,dragPan:!0,keyboard:!0,doubleClickZoom:!0,touchZoomRotate:!0,bearingSnap:7,hash:!1,attributionControl:!0,failIfMajorPerformanceCaveat:!1,preserveDrawingBuffer:!1},addControl:function(t){return t.addTo(this),this},addClass:function(t,e){return this._classes.indexOf(t)>=0||\"\"===t?this:(this._classes.push(t),this._classOptions=e,this.style&&this.style.updateClasses(),this._update(!0))},removeClass:function(t,e){var r=this._classes.indexOf(t);return 0>r||\"\"===t?this:(this._classes.splice(r,1),this._classOptions=e,this.style&&this.style.updateClasses(),this._update(!0))},setClasses:function(t,e){for(var r={},n=0;n<t.length;n++)\"\"!==t[n]&&(r[t[n]]=!0);return this._classes=Object.keys(r),this._classOptions=e,this.style&&this.style.updateClasses(),this._update(!0)},hasClass:function(t){return this._classes.indexOf(t)>=0},getClasses:function(){return this._classes},resize:function(){var t=0,e=0;return this._container&&(t=this._container.offsetWidth||400,e=this._container.offsetHeight||300),this._canvas.resize(t,e),this.transform.resize(t,e),this.painter.resize(t,e),this.fire(\"movestart\").fire(\"move\").fire(\"resize\").fire(\"moveend\")},getBounds:function(){var t=new g(this.transform.pointLocation(new y(0,0)),this.transform.pointLocation(this.transform.size));return(this.transform.angle||this.transform.pitch)&&(t.extend(this.transform.pointLocation(new y(this.transform.size.x,0))),t.extend(this.transform.pointLocation(new y(0,this.transform.size.y)))),t},setMaxBounds:function(t){if(t){var e=g.convert(t);this.transform.lngRange=[e.getWest(),e.getEast()],this.transform.latRange=[e.getSouth(),e.getNorth()],this.transform._constrain(),this._update()}else null!==t&&void 0!==t||(this.transform.lngRange=[],this.transform.latRange=[],this._update());return this},setMinZoom:function(t){if(t=null===t||void 0===t?x:t,t>=x&&t<=this.transform.maxZoom)return this.transform.minZoom=t,this._update(),this.getZoom()<t&&this.setZoom(t),this;throw new Error(\"minZoom must be between \"+x+\" and the current maxZoom, inclusive\")},setMaxZoom:function(t){if(t=null===t||void 0===t?_:t,t>=this.transform.minZoom&&_>=t)return this.transform.maxZoom=t,this._update(),this.getZoom()>t&&this.setZoom(t),this;throw new Error(\"maxZoom must be between the current minZoom and \"+_+\", inclusive\")},project:function(t){return this.transform.locationPoint(m.convert(t))},unproject:function(t){return this.transform.pointLocation(y.convert(t))},queryRenderedFeatures:function(t,e){t instanceof y||Array.isArray(t)||(e=t,t=void 0);var r=this._makeQueryGeometry(t);return this.style.queryRenderedFeatures(r,e,this.transform.zoom,this.transform.angle)},_makeQueryGeometry:function(t){void 0===t&&(t=[y.convert([0,0]),y.convert([this.transform.width,this.transform.height])]);var e,r=t instanceof y||\"number\"==typeof t[0];if(r){var n=y.convert(t);e=[n]}else{var i=[y.convert(t[0]),y.convert(t[1])];e=[i[0],new y(i[1].x,i[0].y),i[1],new y(i[0].x,i[1].y),i[0]]}return e=e.map(function(t){return this.transform.pointCoordinate(t)}.bind(this))},querySourceFeatures:function(t,e){return this.style.querySourceFeatures(t,e)},setStyle:function(t){return this.style&&(this.style.off(\"load\",this._onStyleLoad).off(\"error\",this._forwardStyleEvent).off(\"change\",this._onStyleChange).off(\"source.add\",this._onSourceAdd).off(\"source.remove\",this._onSourceRemove).off(\"source.load\",this._onSourceUpdate).off(\"source.error\",this._forwardSourceEvent).off(\"source.change\",this._onSourceUpdate).off(\"layer.add\",this._forwardLayerEvent).off(\"layer.remove\",this._forwardLayerEvent).off(\"layer.error\",this._forwardLayerEvent).off(\"tile.add\",this._forwardTileEvent).off(\"tile.remove\",this._forwardTileEvent).off(\"tile.load\",this._update).off(\"tile.error\",this._forwardTileEvent).off(\"tile.stats\",this._forwardTileEvent)._remove(),this.off(\"rotate\",this.style._redoPlacement),\nthis.off(\"pitch\",this.style._redoPlacement)),t?(t instanceof u?this.style=t:this.style=new u(t,this.animationLoop),this.style.on(\"load\",this._onStyleLoad).on(\"error\",this._forwardStyleEvent).on(\"change\",this._onStyleChange).on(\"source.add\",this._onSourceAdd).on(\"source.remove\",this._onSourceRemove).on(\"source.load\",this._onSourceUpdate).on(\"source.error\",this._forwardSourceEvent).on(\"source.change\",this._onSourceUpdate).on(\"layer.add\",this._forwardLayerEvent).on(\"layer.remove\",this._forwardLayerEvent).on(\"layer.error\",this._forwardLayerEvent).on(\"tile.add\",this._forwardTileEvent).on(\"tile.remove\",this._forwardTileEvent).on(\"tile.load\",this._update).on(\"tile.error\",this._forwardTileEvent).on(\"tile.stats\",this._forwardTileEvent),this.on(\"rotate\",this.style._redoPlacement),this.on(\"pitch\",this.style._redoPlacement),this):(this.style=null,this)},getStyle:function(){return this.style.serialize()},addSource:function(t,e){return this.style.addSource(t,e),this._update(!0),this},removeSource:function(t){return this.style.removeSource(t),this._update(!0),this},getSource:function(t){return this.style.getSource(t)},addLayer:function(t,e){return this.style.addLayer(t,e),this._update(!0),this},removeLayer:function(t){return this.style.removeLayer(t),this._update(!0),this},getLayer:function(t){return this.style.getLayer(t)},setFilter:function(t,e){return this.style.setFilter(t,e),this._update(!0),this},setLayerZoomRange:function(t,e,r){return this.style.setLayerZoomRange(t,e,r),this._update(!0),this},getFilter:function(t){return this.style.getFilter(t)},setPaintProperty:function(t,e,r,n){return this.style.setPaintProperty(t,e,r,n),this._update(!0),this},getPaintProperty:function(t,e,r){return this.style.getPaintProperty(t,e,r)},setLayoutProperty:function(t,e,r){return this.style.setLayoutProperty(t,e,r),this._update(!0),this},getLayoutProperty:function(t,e){return this.style.getLayoutProperty(t,e)},getContainer:function(){return this._container},getCanvasContainer:function(){return this._canvasContainer},getCanvas:function(){return this._canvas.getElement()},_setupContainer:function(){var t=this._container;t.classList.add(\"mapboxgl-map\");var e=this._canvasContainer=l.create(\"div\",\"mapboxgl-canvas-container\",t);this._interactive&&e.classList.add(\"mapboxgl-interactive\"),this._canvas=new i(this,e);var r=this._controlContainer=l.create(\"div\",\"mapboxgl-control-container\",t),n=this._controlCorners={};[\"top-left\",\"top-right\",\"bottom-left\",\"bottom-right\"].forEach(function(t){n[t]=l.create(\"div\",\"mapboxgl-ctrl-\"+t,r)})},_setupPainter:function(){var t=this._canvas.getWebGLContext({failIfMajorPerformanceCaveat:this._failIfMajorPerformanceCaveat,preserveDrawingBuffer:this._preserveDrawingBuffer});return t?void(this.painter=new h(t,this.transform)):void console.error(\"Failed to initialize WebGL\")},_contextLost:function(t){t.preventDefault(),this._frameId&&a.cancelFrame(this._frameId),this.fire(\"webglcontextlost\",{originalEvent:t})},_contextRestored:function(t){this._setupPainter(),this.resize(),this._update(),this.fire(\"webglcontextrestored\",{originalEvent:t})},loaded:function(){return this._styleDirty||this._sourcesDirty?!1:!(!this.style||!this.style.loaded())},_update:function(t){return this.style?(this._styleDirty=this._styleDirty||t,this._sourcesDirty=!0,this._rerender(),this):this},_render:function(){return this.style&&this._styleDirty&&(this._styleDirty=!1,this.style.update(this._classes,this._classOptions),this._classOptions=null,this.style._recalculate(this.transform.zoom)),this.style&&this._sourcesDirty&&(this._sourcesDirty=!1,this.style._updateSources(this.transform)),this.painter.render(this.style,{debug:this.showTileBoundaries,showOverdrawInspector:this._showOverdrawInspector,vertices:this.vertices,rotating:this.rotating,zooming:this.zooming}),this.fire(\"render\"),this.loaded()&&!this._loaded&&(this._loaded=!0,this.fire(\"load\")),this._frameId=null,this.animationLoop.stopped()||(this._styleDirty=!0),(this._sourcesDirty||this._repaint||!this.animationLoop.stopped())&&this._rerender(),this},remove:function(){this._hash&&this._hash.remove(),a.cancelFrame(this._frameId),this.setStyle(null),\"undefined\"!=typeof window&&window.removeEventListener(\"resize\",this._onWindowResize,!1),n(this._canvasContainer),n(this._controlContainer),this._container.classList.remove(\"mapboxgl-map\")},onError:function(t){console.error(t.error)},_rerender:function(){this.style&&!this._frameId&&(this._frameId=a.frame(this._render))},_forwardStyleEvent:function(t){this.fire(\"style.\"+t.type,o.extend({style:t.target},t))},_forwardSourceEvent:function(t){this.fire(t.type,o.extend({style:t.target},t))},_forwardLayerEvent:function(t){this.fire(t.type,o.extend({style:t.target},t))},_forwardTileEvent:function(t){this.fire(t.type,o.extend({style:t.target},t))},_onStyleLoad:function(t){this.transform.unmodified&&this.jumpTo(this.style.stylesheet),this.style.update(this._classes,{transition:!1}),this._forwardStyleEvent(t)},_onStyleChange:function(t){this._update(!0),this._forwardStyleEvent(t)},_onSourceAdd:function(t){var e=t.source;e.onAdd&&e.onAdd(this),this._forwardSourceEvent(t)},_onSourceRemove:function(t){var e=t.source;e.onRemove&&e.onRemove(this),this._forwardSourceEvent(t)},_onSourceUpdate:function(t){this._update(),this._forwardSourceEvent(t)},_onWindowResize:function(){this.stop().resize()._update()}}),o.extendAll(w.prototype,{_showTileBoundaries:!1,get showTileBoundaries(){return this._showTileBoundaries},set showTileBoundaries(t){this._showTileBoundaries!==t&&(this._showTileBoundaries=t,this._update())},_showCollisionBoxes:!1,get showCollisionBoxes(){return this._showCollisionBoxes},set showCollisionBoxes(t){this._showCollisionBoxes!==t&&(this._showCollisionBoxes=t,this.style._redoPlacement())},_showOverdrawInspector:!1,get showOverdrawInspector(){return this._showOverdrawInspector},set showOverdrawInspector(t){this._showOverdrawInspector!==t&&(this._showOverdrawInspector=t,this._update())},_repaint:!1,get repaint(){return this._repaint},set repaint(t){this._repaint=t,this._update()},_vertices:!1,get vertices(){return this._vertices},set vertices(t){this._vertices=t,this._update()}})},{\"../geo/lng_lat\":256,\"../geo/lng_lat_bounds\":257,\"../geo/transform\":258,\"../render/painter\":271,\"../style/animation_loop\":287,\"../style/style\":290,\"../util/browser\":335,\"../util/canvas\":336,\"../util/dom\":338,\"../util/evented\":341,\"../util/util\":349,\"./camera\":317,\"./control/attribution\":318,\"./hash\":329,\"./interaction\":330,\"point-geometry\":404}],332:[function(t,e,r){\"use strict\";function n(t){i.setOptions(this,t),i.bindAll([\"_update\",\"_onClickClose\"],this)}e.exports=n;var i=t(\"../util/util\"),o=t(\"../util/evented\"),a=t(\"../util/dom\"),s=t(\"../geo/lng_lat\");n.prototype=i.inherit(o,{options:{closeButton:!0,closeOnClick:!0},addTo:function(t){return this._map=t,this._map.on(\"move\",this._update),this.options.closeOnClick&&this._map.on(\"click\",this._onClickClose),this._update(),this},remove:function(){return this._content&&this._content.parentNode&&this._content.parentNode.removeChild(this._content),this._container&&(this._container.parentNode.removeChild(this._container),delete this._container),this._map&&(this._map.off(\"move\",this._update),this._map.off(\"click\",this._onClickClose),delete this._map),this},getLngLat:function(){return this._lngLat},setLngLat:function(t){return this._lngLat=s.convert(t),this._update(),this},setText:function(t){return this.setDOMContent(document.createTextNode(t))},setHTML:function(t){var e,r=document.createDocumentFragment(),n=document.createElement(\"body\");for(n.innerHTML=t;;){if(e=n.firstChild,!e)break;r.appendChild(e)}return this.setDOMContent(r)},setDOMContent:function(t){return this._createContent(),this._content.appendChild(t),this._update(),this},_createContent:function(){this._content&&this._content.parentNode&&this._content.parentNode.removeChild(this._content),this._content=a.create(\"div\",\"mapboxgl-popup-content\",this._container),this.options.closeButton&&(this._closeButton=a.create(\"button\",\"mapboxgl-popup-close-button\",this._content),this._closeButton.innerHTML=\"&#215;\",this._closeButton.addEventListener(\"click\",this._onClickClose))},_update:function(){if(this._map&&this._lngLat&&this._content){this._container||(this._container=a.create(\"div\",\"mapboxgl-popup\",this._map.getContainer()),this._tip=a.create(\"div\",\"mapboxgl-popup-tip\",this._container),this._container.appendChild(this._content));var t=this._map.project(this._lngLat).round(),e=this.options.anchor;if(!e){var r=this._container.offsetWidth,n=this._container.offsetHeight;e=t.y<n?[\"top\"]:t.y>this._map.transform.height-n?[\"bottom\"]:[],t.x<r/2?e.push(\"left\"):t.x>this._map.transform.width-r/2&&e.push(\"right\"),e=0===e.length?\"bottom\":e.join(\"-\")}var i={top:\"translate(-50%,0)\",\"top-left\":\"translate(0,0)\",\"top-right\":\"translate(-100%,0)\",bottom:\"translate(-50%,-100%)\",\"bottom-left\":\"translate(0,-100%)\",\"bottom-right\":\"translate(-100%,-100%)\",left:\"translate(0,-50%)\",right:\"translate(-100%,-50%)\"},o=this._container.classList;for(var s in i)o.remove(\"mapboxgl-popup-anchor-\"+s);o.add(\"mapboxgl-popup-anchor-\"+e),a.setTransform(this._container,i[e]+\" translate(\"+t.x+\"px,\"+t.y+\"px)\")}},_onClickClose:function(){this.remove()}})},{\"../geo/lng_lat\":256,\"../util/dom\":338,\"../util/evented\":341,\"../util/util\":349}],333:[function(t,e,r){\"use strict\";function n(t,e){this.target=t,this.parent=e,this.callbacks={},this.callbackID=0,this.receive=this.receive.bind(this),this.target.addEventListener(\"message\",this.receive,!1)}e.exports=n,n.prototype.receive=function(t){var e,r=t.data;if(\"<response>\"===r.type)e=this.callbacks[r.id],delete this.callbacks[r.id],e(r.error||null,r.data);else if(\"undefined\"!=typeof r.id){var n=r.id;this.parent[r.type](r.data,function(t,e,r){this.postMessage({type:\"<response>\",id:String(n),error:t?String(t):null,data:e},r)}.bind(this))}else this.parent[r.type](r.data)},n.prototype.send=function(t,e,r,n){var i=null;r&&(this.callbacks[i=this.callbackID++]=r),this.postMessage({type:t,id:String(i),data:e},n)},n.prototype.postMessage=function(t,e){this.target.postMessage(t,e)}},{}],334:[function(t,e,r){\"use strict\";function n(t){var e=document.createElement(\"a\");return e.href=t,e.protocol===document.location.protocol&&e.host===document.location.host}r.getJSON=function(t,e){var r=new XMLHttpRequest;return r.open(\"GET\",t,!0),r.setRequestHeader(\"Accept\",\"application/json\"),r.onerror=function(t){e(t)},r.onload=function(){if(r.status>=200&&r.status<300&&r.response){var t;try{t=JSON.parse(r.response)}catch(n){return e(n)}e(null,t)}else e(new Error(r.statusText))},r.send(),r},r.getArrayBuffer=function(t,e){var r=new XMLHttpRequest;return r.open(\"GET\",t,!0),r.responseType=\"arraybuffer\",r.onerror=function(t){e(t)},r.onload=function(){r.status>=200&&r.status<300&&r.response?e(null,r.response):e(new Error(r.statusText))},r.send(),r},r.getImage=function(t,e){return r.getArrayBuffer(t,function(t,r){if(t)return e(t);var n=new Image;n.onload=function(){e(null,n),(window.URL||window.webkitURL).revokeObjectURL(n.src)};var i=new Blob([new Uint8Array(r)],{type:\"image/png\"});return n.src=(window.URL||window.webkitURL).createObjectURL(i),n.getData=function(){var t=document.createElement(\"canvas\"),e=t.getContext(\"2d\");return t.width=n.width,t.height=n.height,e.drawImage(n,0,0),e.getImageData(0,0,n.width,n.height).data},n})},r.getVideo=function(t,e){var r=document.createElement(\"video\");r.onloadstart=function(){e(null,r)};for(var i=0;i<t.length;i++){var o=document.createElement(\"source\");n(t[i])||(r.crossOrigin=\"Anonymous\"),o.src=t[i],r.appendChild(o)}return r.getData=function(){return r},r}},{}],335:[function(t,e,r){\"use strict\";e.exports.now=function(){return window.performance&&window.performance.now?window.performance.now.bind(window.performance):Date.now.bind(Date)}();var n=window.requestAnimationFrame||window.mozRequestAnimationFrame||window.webkitRequestAnimationFrame||window.msRequestAnimationFrame;r.frame=function(t){return n(t)};var i=window.cancelAnimationFrame||window.mozCancelAnimationFrame||window.webkitCancelAnimationFrame||window.msCancelAnimationFrame;r.cancelFrame=function(t){i(t)},r.timed=function(t,n,i){function o(l){a||(l=e.exports.now(),l>=s+n?t.call(i,1):(t.call(i,(l-s)/n),r.frame(o)))}if(!n)return t.call(i,1),null;var a=!1,s=e.exports.now();return r.frame(o),function(){a=!0}},r.supported=t(\"mapbox-gl-js-supported\"),r.hardwareConcurrency=navigator.hardwareConcurrency||8,Object.defineProperty(r,\"devicePixelRatio\",{get:function(){return window.devicePixelRatio}}),r.supportsWebp=!1;var o=document.createElement(\"img\");o.onload=function(){r.supportsWebp=!0},o.src=\"data:image/webp;base64,UklGRh4AAABXRUJQVlA4TBEAAAAvAQAAAAfQ//73v/+BiOh/AAA=\",r.supportsGeolocation=!!navigator.geolocation},{\"mapbox-gl-js-supported\":375}],336:[function(t,e,r){\"use strict\";function n(t,e){this.canvas=document.createElement(\"canvas\"),t&&e&&(this.canvas.style.position=\"absolute\",this.canvas.classList.add(\"mapboxgl-canvas\"),this.canvas.addEventListener(\"webglcontextlost\",t._contextLost.bind(t),!1),this.canvas.addEventListener(\"webglcontextrestored\",t._contextRestored.bind(t),!1),this.canvas.setAttribute(\"tabindex\",0),e.appendChild(this.canvas))}var i=t(\"../util\"),o=t(\"mapbox-gl-js-supported\");e.exports=n,n.prototype.resize=function(t,e){var r=window.devicePixelRatio||1;this.canvas.width=r*t,this.canvas.height=r*e,this.canvas.style.width=t+\"px\",this.canvas.style.height=e+\"px\"},n.prototype.getWebGLContext=function(t){return t=i.extend({},t,o.webGLContextAttributes),this.canvas.getContext(\"webgl\",t)||this.canvas.getContext(\"experimental-webgl\",t)},n.prototype.getElement=function(){return this.canvas}},{\"../util\":349,\"mapbox-gl-js-supported\":375}],337:[function(t,e,r){\"use strict\";function n(e,r){this.actors=[],this.currentActor=0;for(var n=0;e>n;n++){var a=new o(t(\"../../source/worker\")),s=new i(a,r);s.name=\"Worker \"+n,this.actors.push(s)}}var i=t(\"../actor\"),o=t(\"webworkify\");e.exports=n,n.prototype={broadcast:function(t,e){for(var r=0;r<this.actors.length;r++)this.actors[r].send(t,e)},send:function(t,e,r,n,i){return(\"number\"!=typeof n||isNaN(n))&&(n=this.currentActor=(this.currentActor+1)%this.actors.length),this.actors[n].send(t,e,r,i),n},remove:function(){for(var t=0;t<this.actors.length;t++)this.actors[t].target.terminate();this.actors=[]}}},{\"../../source/worker\":285,\"../actor\":333,webworkify:420}],338:[function(t,e,r){\"use strict\";function n(t){for(var e=0;e<t.length;e++)if(t[e]in s)return t[e]}function i(t){t.preventDefault(),t.stopPropagation(),window.removeEventListener(\"click\",i,!0)}var o=t(\"point-geometry\");r.create=function(t,e,r){var n=document.createElement(t);return e&&(n.className=e),r&&r.appendChild(n),n};var a,s=document.documentElement.style,l=n([\"userSelect\",\"MozUserSelect\",\"WebkitUserSelect\",\"msUserSelect\"]);r.disableDrag=function(){l&&(a=s[l],s[l]=\"none\")},r.enableDrag=function(){l&&(s[l]=a)};var u=n([\"transform\",\"WebkitTransform\"]);r.setTransform=function(t,e){t.style[u]=e},r.suppressClick=function(){window.addEventListener(\"click\",i,!0),window.setTimeout(function(){window.removeEventListener(\"click\",i,!0)},0)},r.mousePos=function(t,e){var r=t.getBoundingClientRect();return e=e.touches?e.touches[0]:e,new o(e.clientX-r.left-t.clientLeft,e.clientY-r.top-t.clientTop)},r.touchPos=function(t,e){for(var r=t.getBoundingClientRect(),n=[],i=0;i<e.touches.length;i++)n.push(new o(e.touches[i].clientX-r.left-t.clientLeft,e.touches[i].clientY-r.top-t.clientTop));return n}},{\"point-geometry\":404}],339:[function(t,e,r){\"use strict\";e.exports={API_URL:\"https://api.mapbox.com\",REQUIRE_ACCESS_TOKEN:!0}},{}],340:[function(t,e,r){\"use strict\";function n(t){this._stringToNumber={},this._numberToString=[];for(var e=0;e<t.length;e++){var r=t[e];this._stringToNumber[r]=e,this._numberToString[e]=r}}var i=t(\"assert\");e.exports=n,n.prototype.encode=function(t){return i(t in this._stringToNumber),this._stringToNumber[t]},n.prototype.decode=function(t){return i(t<this._numberToString.length),this._numberToString[t]}},{assert:52}],341:[function(t,e,r){\"use strict\";var n=t(\"./util\"),i={on:function(t,e){return this._events=this._events||{},this._events[t]=this._events[t]||[],this._events[t].push(e),this},off:function(t,e){if(!t)return delete this._events,this;if(!this.listens(t))return this;if(e){var r=this._events[t].indexOf(e);r>=0&&this._events[t].splice(r,1),this._events[t].length||delete this._events[t]}else delete this._events[t];return this},once:function(t,e){var r=function(n){this.off(t,r),e.call(this,n)}.bind(this);return this.on(t,r),this},fire:function(t,e){if(!this.listens(t))return this;e=n.extend({},e),n.extend(e,{type:t,target:this});for(var r=this._events[t].slice(),i=0;i<r.length;i++)r[i].call(this,e);return this},listens:function(t){return!(!this._events||!this._events[t])}};e.exports=i},{\"./util\":349}],342:[function(t,e,r){\"use strict\";function n(t,e){this.stacks=t.readFields(i,[],e)}function i(t,e,r){if(1===t){var n=r.readMessage(o,{glyphs:{}});e.push(n)}}function o(t,e,r){if(1===t)e.name=r.readString();else if(2===t)e.range=r.readString();else if(3===t){var n=r.readMessage(a,{});e.glyphs[n.id]=n}}function a(t,e,r){1===t?e.id=r.readVarint():2===t?e.bitmap=r.readBytes():3===t?e.width=r.readVarint():4===t?e.height=r.readVarint():5===t?e.left=r.readSVarint():6===t?e.top=r.readSVarint():7===t&&(e.advance=r.readVarint())}e.exports=n},{}],343:[function(t,e,r){\"use strict\";function n(t,e,r){return t*(1-r)+e*r}e.exports=n,n.number=n,n.vec2=function(t,e,r){return[n(t[0],e[0],r),n(t[1],e[1],r)]},n.color=function(t,e,r){return[n(t[0],e[0],r),n(t[1],e[1],r),n(t[2],e[2],r),n(t[3],e[3],r)]},n.array=function(t,e,r){return t.map(function(t,i){return n(t,e[i],r)})}},{}],344:[function(t,e,r){\"use strict\";function n(t,e,r){for(var n=0;n<t.length;n++)for(var i=t[n],o=0;o<e.length;o++)for(var a=e[o],s=0;s<a.length;s++){var l=a[s];if(d(i,l))return!0;if(c(l,i,r))return!0}return!1}function i(t,e){if(1===t.length&&1===t[0].length)return f(e,t[0][0]);for(var r=0;r<e.length;r++)for(var n=e[r],i=0;i<n.length;i++)if(f(t,n[i]))return!0;for(var o=0;o<t.length;o++){for(var a=t[o],l=0;l<a.length;l++)if(f(e,a[l]))return!0;for(var u=0;u<e.length;u++)if(s(a,e[u]))return!0}return!1}function o(t,e,r){for(var n=0;n<e.length;n++)for(var i=e[n],o=0;o<t.length;o++){var s=t[o];if(s.length>=3)for(var l=0;l<i.length;l++)if(d(s,i[l]))return!0;if(a(s,i,r))return!0}return!1}function a(t,e,r){if(t.length>1){if(s(t,e))return!0;for(var n=0;n<e.length;n++)if(c(e[n],t,r))return!0}for(var i=0;i<t.length;i++)if(c(t[i],e,r))return!0;return!1}function s(t,e){for(var r=0;r<t.length-1;r++)for(var n=t[r],i=t[r+1],o=0;o<e.length-1;o++){var a=e[o],s=e[o+1];if(u(n,i,a,s))return!0}return!1}function l(t,e,r){return(r.y-t.y)*(e.x-t.x)>(e.y-t.y)*(r.x-t.x)}function u(t,e,r,n){return l(t,r,n)!==l(e,r,n)&&l(t,e,r)!==l(t,e,n)}function c(t,e,r){var n=r*r;if(1===e.length)return t.distSqr(e[0])<n;for(var i=1;i<e.length;i++){var o=e[i-1],a=e[i];if(h(t,o,a)<n)return!0}return!1}function h(t,e,r){var n=e.distSqr(r);if(0===n)return t.distSqr(e);var i=((t.x-e.x)*(r.x-e.x)+(t.y-e.y)*(r.y-e.y))/n;return 0>i?t.distSqr(e):i>1?t.distSqr(r):t.distSqr(r.sub(e)._mult(i)._add(e))}function f(t,e){for(var r,n,i,o=!1,a=0;a<t.length;a++){r=t[a];for(var s=0,l=r.length-1;s<r.length;l=s++)n=r[s],i=r[l],n.y>e.y!=i.y>e.y&&e.x<(i.x-n.x)*(e.y-n.y)/(i.y-n.y)+n.x&&(o=!o)}return o}function d(t,e){for(var r=!1,n=0,i=t.length-1;n<t.length;i=n++){var o=t[n],a=t[i];o.y>e.y!=a.y>e.y&&e.x<(a.x-o.x)*(e.y-o.y)/(a.y-o.y)+o.x&&(r=!r)}return r}e.exports={multiPolygonIntersectsBufferedMultiPoint:n,multiPolygonIntersectsMultiPolygon:i,multiPolygonIntersectsBufferedMultiLine:o}},{}],345:[function(t,e,r){\"use strict\";function n(t,e){this.max=t,this.onRemove=e,this.reset()}e.exports=n,n.prototype.reset=function(){for(var t in this.data)this.onRemove(this.data[t]);return this.data={},this.order=[],this},n.prototype.add=function(t,e){if(this.has(t))this.order.splice(this.order.indexOf(t),1),this.data[t]=e,this.order.push(t);else if(this.data[t]=e,this.order.push(t),this.order.length>this.max){var r=this.get(this.order[0]);r&&this.onRemove(r)}return this},n.prototype.has=function(t){return t in this.data},n.prototype.keys=function(){return this.order},n.prototype.get=function(t){if(!this.has(t))return null;var e=this.data[t];return delete this.data[t],this.order.splice(this.order.indexOf(t),1),e},n.prototype.setMaxSize=function(t){for(this.max=t;this.order.length>this.max;){var e=this.get(this.order[0]);e&&this.onRemove(e)}return this}},{}],346:[function(t,e,r){\"use strict\";function n(t,e,r){if(r=r||i.ACCESS_TOKEN,!r&&i.REQUIRE_ACCESS_TOKEN)throw new Error(\"An API access token is required to use Mapbox GL. See https://www.mapbox.com/developers/api/#access-tokens\");if(t=t.replace(/^mapbox:\\/\\//,i.API_URL+e),t+=-1!==t.indexOf(\"?\")?\"&access_token=\":\"?access_token=\",i.REQUIRE_ACCESS_TOKEN){if(\"s\"===r[0])throw new Error(\"Use a public access token (pk.*) with Mapbox GL JS, not a secret access token (sk.*). See https://www.mapbox.com/developers/api/#access-tokens\");t+=r}return t}var i=t(\"./config\"),o=t(\"./browser\");e.exports.normalizeStyleURL=function(t,e){if(!t.match(/^mapbox:\\/\\/styles\\//))return t;var r=t.split(\"/\"),i=r[3],o=r[4],a=r[5]?\"/draft\":\"\";return n(\"mapbox://\"+i+\"/\"+o+a,\"/styles/v1/\",e)},e.exports.normalizeSourceURL=function(t,e){return t.match(/^mapbox:\\/\\//)?n(t+\".json\",\"/v4/\",e)+\"&secure\":t},e.exports.normalizeGlyphsURL=function(t,e){if(!t.match(/^mapbox:\\/\\//))return t;var r=t.split(\"/\")[3];return n(\"mapbox://\"+r+\"/{fontstack}/{range}.pbf\",\"/fonts/v1/\",e)},e.exports.normalizeSpriteURL=function(t,e,r,i){if(!t.match(/^mapbox:\\/\\/sprites\\//))return t+e+r;var o=t.split(\"/\"),a=o[3],s=o[4],l=o[5]?\"/draft\":\"\";return n(\"mapbox://\"+a+\"/\"+s+l+\"/sprite\"+e+r,\"/styles/v1/\",i)},e.exports.normalizeTileURL=function(t,e,r){if(!e||!e.match(/^mapbox:\\/\\//))return t;t=t.replace(/([?&]access_token=)tk\\.[^&]+/,\"$1\"+i.ACCESS_TOKEN);var n=o.supportsWebp?\"webp\":\"$1\";return t.replace(/\\.((?:png|jpg)\\d*)(?=$|\\?)/,o.devicePixelRatio>=2||512===r?\"@2x.\"+n:\".\"+n)}},{\"./browser\":335,\"./config\":339}],347:[function(t,e,r){\"use strict\";function n(t){function e(){f.apply(this,arguments)}function r(){d.apply(this,arguments),this.members=e.prototype.members}var n=JSON.stringify(t);if(m[n])return m[n];void 0===t.alignment&&(t.alignment=1),e.prototype=Object.create(f.prototype);var s=0,u=0,g=[\"Uint8\"];return e.prototype.members=t.members.map(function(r){r={name:r.name,type:r.type,components:r.components||1},p(r.name.length),p(r.type in v),g.indexOf(r.type)<0&&g.push(r.type);var n=a(r.type);u=Math.max(u,n),r.offset=s=o(s,Math.max(t.alignment,n));for(var i=0;i<r.components;i++)Object.defineProperty(e.prototype,r.name+(1===r.components?\"\":i),{get:c(r,i),set:h(r,i)});return s+=n*r.components,r}),e.prototype.alignment=t.alignment,e.prototype.size=o(s,Math.max(u,t.alignment)),r.serialize=i,r.prototype=Object.create(d.prototype),r.prototype.StructType=e,r.prototype.bytesPerElement=e.prototype.size,r.prototype.emplaceBack=l(e.prototype.members,e.prototype.size),r.prototype._usedTypes=g,m[n]=r,r}function i(){return{members:this.prototype.StructType.prototype.members,alignment:this.prototype.StructType.prototype.alignment,bytesPerElement:this.prototype.bytesPerElement}}function o(t,e){return Math.ceil(t/e)*e}function a(t){return v[t].BYTES_PER_ELEMENT}function s(t){return t.toLowerCase()}function l(t,e){for(var r=[],n=[],i=\"var i = this.length;\\nthis.resize(this.length + 1);\\n\",o=0;o<t.length;o++){var l=t[o],u=a(l.type);r.indexOf(u)<0&&(r.push(u),i+=\"var o\"+u.toFixed(0)+\" = i * \"+(e/u).toFixed(0)+\";\\n\");for(var c=0;c<l.components;c++){var h=\"v\"+n.length,f=\"o\"+u.toFixed(0)+\" + \"+(l.offset/u+c).toFixed(0);i+=\"this.\"+s(l.type)+\"[\"+f+\"] = \"+h+\";\\n\",n.push(h)}}return i+=\"return i;\",new Function(n,i)}function u(t,e){var r=\"this._pos\"+a(t.type).toFixed(0),n=(t.offset/a(t.type)+e).toFixed(0),i=r+\" + \"+n;return\"this._structArray.\"+s(t.type)+\"[\"+i+\"]\"}function c(t,e){return new Function([],\"return \"+u(t,e)+\";\")}function h(t,e){return new Function([\"x\"],u(t,e)+\" = x;\")}function f(t,e){this._structArray=t,this._pos1=e*this.size,this._pos2=this._pos1/2,this._pos4=this._pos1/4,this._pos8=this._pos1/8}function d(t){void 0!==t?(this.arrayBuffer=t.arrayBuffer,this.length=t.length,this.capacity=this.arrayBuffer.byteLength/this.bytesPerElement,this._refreshViews()):(this.capacity=-1,this.resize(0))}var p=t(\"assert\");e.exports=n;var v={Int8:Int8Array,Uint8:Uint8Array,Uint8Clamped:Uint8ClampedArray,Int16:Int16Array,Uint16:Uint16Array,Int32:Int32Array,Uint32:Uint32Array,Float32:Float32Array,Float64:Float64Array},m={};d.prototype.DEFAULT_CAPACITY=128,d.prototype.RESIZE_MULTIPLIER=5,d.prototype.serialize=function(){return this.trim(),{length:this.length,arrayBuffer:this.arrayBuffer}},d.prototype.get=function(t){return new this.StructType(this,t)},d.prototype.trim=function(){this.length!==this.capacity&&(this.capacity=this.length,this.arrayBuffer=this.arrayBuffer.slice(0,this.length*this.bytesPerElement),this._refreshViews())},d.prototype.resize=function(t){if(this.length=t,t>this.capacity){this.capacity=Math.max(t,Math.floor(this.capacity*this.RESIZE_MULTIPLIER),this.DEFAULT_CAPACITY),this.arrayBuffer=new ArrayBuffer(this.capacity*this.bytesPerElement);var e=this.uint8;this._refreshViews(),e&&this.uint8.set(e)}},d.prototype._refreshViews=function(){for(var t=0;t<this._usedTypes.length;t++){var e=this._usedTypes[t];this[s(e)]=new v[e](this.arrayBuffer)}}},{assert:52}],348:[function(t,e,r){\"use strict\";function n(t,e){return e.replace(/{([^{}()\\[\\]<>$=:;.,^]+)}/g,function(e,r){return r in t?t[r]:\"\"})}e.exports=n},{}],349:[function(t,e,r){\"use strict\";var n=t(\"unitbezier\"),i=t(\"../geo/coordinate\");r.easeCubicInOut=function(t){if(0>=t)return 0;if(t>=1)return 1;var e=t*t,r=e*t;return 4*(.5>t?r:3*(t-e)+r-.75)},r.bezier=function(t,e,r,i){var o=new n(t,e,r,i);return function(t){return o.solve(t)}},r.ease=r.bezier(.25,.1,.25,1),r.premultiply=function(t){if(!t)return null;var e=t[3];return[t[0]*e,t[1]*e,t[2]*e,e]},r.clamp=function(t,e,r){return Math.min(r,Math.max(e,t))},r.wrap=function(t,e,r){var n=r-e,i=((t-e)%n+n)%n+e;return i===e?r:i},r.coalesce=function(){for(var t=0;t<arguments.length;t++){var e=arguments[t];if(null!==e&&void 0!==e)return e}},r.asyncAll=function(t,e,r){if(!t.length)return r(null,[]);var n=t.length,i=new Array(t.length),o=null;t.forEach(function(t,a){e(t,function(t,e){t&&(o=t),i[a]=e,0===--n&&r(o,i)})})},r.keysDifference=function(t,e){var r=[];for(var n in t)n in e||r.push(n);return r},r.extend=function(t){for(var e=1;e<arguments.length;e++){var r=arguments[e];for(var n in r)t[n]=r[n]}return t},r.extendAll=function(t,e){for(var r in e)Object.defineProperty(t,r,Object.getOwnPropertyDescriptor(e,r));return t},r.inherit=function(t,e){var n=\"function\"==typeof t?t.prototype:t,i=Object.create(n);return r.extendAll(i,e),i},r.pick=function(t,e){for(var r={},n=0;n<e.length;n++){var i=e[n];i in t&&(r[i]=t[i])}return r};var o=1;r.uniqueId=function(){return o++},r.debounce=function(t,e){var r,n;return function(){n=arguments,clearTimeout(r),r=setTimeout(function(){t.apply(null,n)},e)}},r.bindAll=function(t,e){t.forEach(function(t){e[t]=e[t].bind(e)})},r.bindHandlers=function(t){for(var e in t)\"function\"==typeof t[e]&&0===e.indexOf(\"_on\")&&(t[e]=t[e].bind(t))},r.setOptions=function(t,e){t.hasOwnProperty(\"options\")||(t.options=t.options?Object.create(t.options):{});for(var r in e)t.options[r]=e[r];return t.options},r.getCoordinatesCenter=function(t){for(var e=1/0,r=1/0,n=-(1/0),o=-(1/0),a=0;a<t.length;a++)e=Math.min(e,t[a].column),r=Math.min(r,t[a].row),n=Math.max(n,t[a].column),o=Math.max(o,t[a].row);var s=n-e,l=o-r,u=Math.max(s,l);return new i((e+n)/2,(r+o)/2,0).zoomTo(Math.floor(-Math.log(u)/Math.LN2))},r.endsWith=function(t,e){return-1!==t.indexOf(e,t.length-e.length)},r.startsWith=function(t,e){return 0===t.indexOf(e)},r.mapObject=function(t,e,r){var n={};for(var i in t)n[i]=e.call(r||this,t[i],i,t);return n},r.filterObject=function(t,e,r){var n={};for(var i in t)e.call(r||this,t[i],i,t)&&(n[i]=t[i]);return n},r.deepEqual=function a(t,e){if(Array.isArray(t)){if(!Array.isArray(e)||t.length!==e.length)return!1;for(var r=0;r<t.length;r++)if(!a(t[r],e[r]))return!1;return!0}if(\"object\"==typeof t){if(\"object\"!=typeof e)return!1;var n=Object.keys(t);if(n.length!==Object.keys(e).length)return!1;for(var i in t)if(!a(t[i],e[i]))return!1;return!0}return t===e},r.clone=function(t){return Array.isArray(t)?t.map(r.clone):\"object\"==typeof t?r.mapObject(t,r.clone):t},r.arraysIntersect=function(t,e){for(var r=0;r<t.length;r++)if(e.indexOf(t[r])>=0)return!0;return!1}},{\"../geo/coordinate\":255,unitbezier:412}],350:[function(t,e,r){\"use strict\";function n(t,e,r,n){this._vectorTileFeature=t,t._z=e,t._x=r,t._y=n,this.properties=t.properties,t._id&&(this.id=t._id)}function i(t,e,r,n,i){for(var o=e*Math.pow(2,r),a=e*n,s=e*i,l=0;l<t.length;l++)for(var u=t[l],c=0;c<u.length;c++){var h=u[c],f=180-360*(h.y+s)/o;u[c]=[360*(h.x+a)/o-180,360/Math.PI*Math.atan(Math.exp(f*Math.PI/180))-90]}return t}var o=t(\"vector-tile\").VectorTileFeature;e.exports=n,n.prototype={type:\"Feature\",get geometry(){if(void 0===this._geometry){var t=this._vectorTileFeature,e=i(t.loadGeometry(),t.extent,t._z,t._x,t._y),r=o.types[t.type];\"Point\"===r&&1===e.length?e=e[0][0]:\"Point\"===r?(e=e[0],r=\"MultiPoint\"):\"LineString\"===r&&1===e.length?e=e[0]:\"LineString\"===r&&(r=\"MultiLineString\"),this._geometry={type:r,coordinates:e},this._vectorTileFeature=null}return this._geometry},set geometry(t){this._geometry=t},toJSON:function(){var t={};for(var e in this)\"_geometry\"!==e&&\"_vectorTileFeature\"!==e&&(t[e]=this[e]);return t}}},{\"vector-tile\":413}],351:[function(t,e,r){function n(t){return t=Math.round(t),0>t?0:t>255?255:t}function i(t){return 0>t?0:t>1?1:t}function o(t){return n(\"%\"===t[t.length-1]?parseFloat(t)/100*255:parseInt(t))}function a(t){return i(\"%\"===t[t.length-1]?parseFloat(t)/100:parseFloat(t))}function s(t,e,r){return 0>r?r+=1:r>1&&(r-=1),1>6*r?t+(e-t)*r*6:1>2*r?e:2>3*r?t+(e-t)*(2/3-r)*6:t}function l(t){var e=t.replace(/ /g,\"\").toLowerCase();if(e in u)return u[e].slice();if(\"#\"===e[0]){if(4===e.length){var r=parseInt(e.substr(1),16);return r>=0&&4095>=r?[(3840&r)>>4|(3840&r)>>8,240&r|(240&r)>>4,15&r|(15&r)<<4,1]:null}if(7===e.length){var r=parseInt(e.substr(1),16);return r>=0&&16777215>=r?[(16711680&r)>>16,(65280&r)>>8,255&r,1]:null}return null}var i=e.indexOf(\"(\"),l=e.indexOf(\")\");if(-1!==i&&l+1===e.length){var c=e.substr(0,i),h=e.substr(i+1,l-(i+1)).split(\",\"),f=1;switch(c){case\"rgba\":if(4!==h.length)return null;f=a(h.pop());case\"rgb\":return 3!==h.length?null:[o(h[0]),o(h[1]),o(h[2]),f];case\"hsla\":if(4!==h.length)return null;f=a(h.pop());case\"hsl\":if(3!==h.length)return null;var d=(parseFloat(h[0])%360+360)%360/360,p=a(h[1]),v=a(h[2]),m=.5>=v?v*(p+1):v+p-v*p,g=2*v-m;return[n(255*s(g,m,d+1/3)),n(255*s(g,m,d)),n(255*s(g,m,d-1/3)),f];default:return null}}return null}var u={transparent:[0,0,0,0],aliceblue:[240,248,255,1],antiquewhite:[250,235,215,1],aqua:[0,255,255,1],aquamarine:[127,255,212,1],azure:[240,255,255,1],beige:[245,245,220,1],bisque:[255,228,196,1],black:[0,0,0,1],blanchedalmond:[255,235,205,1],blue:[0,0,255,1],blueviolet:[138,43,226,1],brown:[165,42,42,1],burlywood:[222,184,135,1],cadetblue:[95,158,160,1],chartreuse:[127,255,0,1],chocolate:[210,105,30,1],coral:[255,127,80,1],cornflowerblue:[100,149,237,1],cornsilk:[255,248,220,1],crimson:[220,20,60,1],cyan:[0,255,255,1],darkblue:[0,0,139,1],darkcyan:[0,139,139,1],darkgoldenrod:[184,134,11,1],darkgray:[169,169,169,1],darkgreen:[0,100,0,1],darkgrey:[169,169,169,1],darkkhaki:[189,183,107,1],darkmagenta:[139,0,139,1],darkolivegreen:[85,107,47,1],darkorange:[255,140,0,1],darkorchid:[153,50,204,1],darkred:[139,0,0,1],darksalmon:[233,150,122,1],darkseagreen:[143,188,143,1],darkslateblue:[72,61,139,1],darkslategray:[47,79,79,1],darkslategrey:[47,79,79,1],darkturquoise:[0,206,209,1],darkviolet:[148,0,211,1],deeppink:[255,20,147,1],deepskyblue:[0,191,255,1],dimgray:[105,105,105,1],\ndimgrey:[105,105,105,1],dodgerblue:[30,144,255,1],firebrick:[178,34,34,1],floralwhite:[255,250,240,1],forestgreen:[34,139,34,1],fuchsia:[255,0,255,1],gainsboro:[220,220,220,1],ghostwhite:[248,248,255,1],gold:[255,215,0,1],goldenrod:[218,165,32,1],gray:[128,128,128,1],green:[0,128,0,1],greenyellow:[173,255,47,1],grey:[128,128,128,1],honeydew:[240,255,240,1],hotpink:[255,105,180,1],indianred:[205,92,92,1],indigo:[75,0,130,1],ivory:[255,255,240,1],khaki:[240,230,140,1],lavender:[230,230,250,1],lavenderblush:[255,240,245,1],lawngreen:[124,252,0,1],lemonchiffon:[255,250,205,1],lightblue:[173,216,230,1],lightcoral:[240,128,128,1],lightcyan:[224,255,255,1],lightgoldenrodyellow:[250,250,210,1],lightgray:[211,211,211,1],lightgreen:[144,238,144,1],lightgrey:[211,211,211,1],lightpink:[255,182,193,1],lightsalmon:[255,160,122,1],lightseagreen:[32,178,170,1],lightskyblue:[135,206,250,1],lightslategray:[119,136,153,1],lightslategrey:[119,136,153,1],lightsteelblue:[176,196,222,1],lightyellow:[255,255,224,1],lime:[0,255,0,1],limegreen:[50,205,50,1],linen:[250,240,230,1],magenta:[255,0,255,1],maroon:[128,0,0,1],mediumaquamarine:[102,205,170,1],mediumblue:[0,0,205,1],mediumorchid:[186,85,211,1],mediumpurple:[147,112,219,1],mediumseagreen:[60,179,113,1],mediumslateblue:[123,104,238,1],mediumspringgreen:[0,250,154,1],mediumturquoise:[72,209,204,1],mediumvioletred:[199,21,133,1],midnightblue:[25,25,112,1],mintcream:[245,255,250,1],mistyrose:[255,228,225,1],moccasin:[255,228,181,1],navajowhite:[255,222,173,1],navy:[0,0,128,1],oldlace:[253,245,230,1],olive:[128,128,0,1],olivedrab:[107,142,35,1],orange:[255,165,0,1],orangered:[255,69,0,1],orchid:[218,112,214,1],palegoldenrod:[238,232,170,1],palegreen:[152,251,152,1],paleturquoise:[175,238,238,1],palevioletred:[219,112,147,1],papayawhip:[255,239,213,1],peachpuff:[255,218,185,1],peru:[205,133,63,1],pink:[255,192,203,1],plum:[221,160,221,1],powderblue:[176,224,230,1],purple:[128,0,128,1],red:[255,0,0,1],rosybrown:[188,143,143,1],royalblue:[65,105,225,1],saddlebrown:[139,69,19,1],salmon:[250,128,114,1],sandybrown:[244,164,96,1],seagreen:[46,139,87,1],seashell:[255,245,238,1],sienna:[160,82,45,1],silver:[192,192,192,1],skyblue:[135,206,235,1],slateblue:[106,90,205,1],slategray:[112,128,144,1],slategrey:[112,128,144,1],snow:[255,250,250,1],springgreen:[0,255,127,1],steelblue:[70,130,180,1],tan:[210,180,140,1],teal:[0,128,128,1],thistle:[216,191,216,1],tomato:[255,99,71,1],turquoise:[64,224,208,1],violet:[238,130,238,1],wheat:[245,222,179,1],white:[255,255,255,1],whitesmoke:[245,245,245,1],yellow:[255,255,0,1],yellowgreen:[154,205,50,1]};try{r.parseCSSColor=l}catch(c){}},{}],352:[function(t,e,r){\"use strict\";function n(t){return new Function(\"f\",\"var p = (f && f.properties || {}); return \"+i(t))}function i(t){if(!t)return\"true\";var e=t[0];if(t.length<=1)return\"any\"===e?\"false\":\"true\";var r=\"==\"===e?a(t[1],t[2],\"===\",!1):\"!=\"===e?a(t[1],t[2],\"!==\",!1):\"<\"===e||\">\"===e||\"<=\"===e||\">=\"===e?a(t[1],t[2],e,!0):\"any\"===e?s(t.slice(1),\"||\"):\"all\"===e?s(t.slice(1),\"&&\"):\"none\"===e?c(s(t.slice(1),\"||\")):\"in\"===e?l(t[1],t.slice(2)):\"!in\"===e?c(l(t[1],t.slice(2))):\"has\"===e?u(t[1]):\"!has\"===e?c(u([t[1]])):\"true\";return\"(\"+r+\")\"}function o(t){return\"$type\"===t?\"f.type\":\"p[\"+JSON.stringify(t)+\"]\"}function a(t,e,r,n){var i=o(t),a=\"$type\"===t?f.indexOf(e):JSON.stringify(e);return(n?\"typeof \"+i+\"=== typeof \"+a+\"&&\":\"\")+i+r+a}function s(t,e){return t.map(i).join(e)}function l(t,e){\"$type\"===t&&(e=e.map(function(t){return f.indexOf(t)}));var r=JSON.stringify(e.sort(h)),n=o(t);return e.length<=200?r+\".indexOf(\"+n+\") !== -1\":\"function(v, a, i, j) {while (i <= j) { var m = (i + j) >> 1;    if (a[m] === v) return true; if (a[m] > v) j = m - 1; else i = m + 1;}return false; }(\"+n+\", \"+r+\",0,\"+(e.length-1)+\")\"}function u(t){return JSON.stringify(t)+\" in p\"}function c(t){return\"!(\"+t+\")\"}function h(t,e){return e>t?-1:t>e?1:0}e.exports=n;var f=[\"Unknown\",\"Point\",\"LineString\",\"Polygon\"]},{}],353:[function(t,e,r){function n(t,e){switch(t&&t.type||null){case\"FeatureCollection\":return t.features=t.features.map(i(n,e)),t;case\"Feature\":return t.geometry=n(t.geometry,e),t;case\"Polygon\":case\"MultiPolygon\":return o(t,e);default:return t}}function i(t,e){return function(r){return t(r,e)}}function o(t,e){return\"Polygon\"===t.type?t.coordinates=a(t.coordinates,e):\"MultiPolygon\"===t.type&&(t.coordinates=t.coordinates.map(i(a,e))),t}function a(t,e){e=!!e,t[0]=s(t[0],!e);for(var r=1;r<t.length;r++)t[r]=s(t[r],e);return t}function s(t,e){return l(t)===e?t:t.reverse()}function l(t){return u.ring(t)>=0}var u=t(\"geojson-area\");e.exports=n},{\"geojson-area\":354}],354:[function(t,e,r){function n(t){if(\"Polygon\"===t.type)return i(t.coordinates);if(\"MultiPolygon\"===t.type){for(var e=0,r=0;r<t.coordinates.length;r++)e+=i(t.coordinates[r]);return e}return null}function i(t){var e=0;if(t&&t.length>0){e+=Math.abs(o(t[0]));for(var r=1;r<t.length;r++)e-=Math.abs(o(t[r]))}return e}function o(t){var e=0;if(t.length>2){for(var r,n,i=0;i<t.length-1;i++)r=t[i],n=t[i+1],e+=a(n[0]-r[0])*(2+Math.sin(a(r[1]))+Math.sin(a(n[1])));e=e*s.RADIUS*s.RADIUS/2}return e}function a(t){return t*Math.PI/180}var s=t(\"wgs84\");e.exports.geometry=n,e.exports.ring=o},{wgs84:355}],355:[function(t,e,r){e.exports.RADIUS=6378137,e.exports.FLATTENING=1/298.257223563,e.exports.POLAR_RADIUS=6356752.3142},{}],356:[function(t,e,r){\"use strict\";function n(t,e,r,n,a,s,l,u){if(r/=e,n/=e,l>=r&&n>=u)return t;if(l>n||r>u)return null;for(var c=[],h=0;h<t.length;h++){var f,d,p=t[h],v=p.geometry,m=p.type;if(f=p.min[a],d=p.max[a],f>=r&&n>=d)c.push(p);else if(!(f>n||r>d)){var g=1===m?i(v,r,n,a):o(v,r,n,a,s,3===m);g.length&&c.push({geometry:g,type:m,tags:t[h].tags||null,min:p.min,max:p.max})}}return c.length?c:null}function i(t,e,r,n){for(var i=[],o=0;o<t.length;o++){var a=t[o],s=a[n];s>=e&&r>=s&&i.push(a)}return i}function o(t,e,r,n,i,o){for(var s=[],l=0;l<t.length;l++){var u,c,h,f=0,d=0,p=null,v=t[l],m=v.area,g=v.dist,y=v.length,b=[];for(c=0;y-1>c;c++)u=p||v[c],p=v[c+1],f=d||u[n],d=p[n],e>f?d>r?(b.push(i(u,p,e),i(u,p,r)),o||(b=a(s,b,m,g))):d>=e&&b.push(i(u,p,e)):f>r?e>d?(b.push(i(u,p,r),i(u,p,e)),o||(b=a(s,b,m,g))):r>=d&&b.push(i(u,p,r)):(b.push(u),e>d?(b.push(i(u,p,e)),o||(b=a(s,b,m,g))):d>r&&(b.push(i(u,p,r)),o||(b=a(s,b,m,g))));u=v[y-1],f=u[n],f>=e&&r>=f&&b.push(u),h=b[b.length-1],o&&h&&(b[0][0]!==h[0]||b[0][1]!==h[1])&&b.push(b[0]),a(s,b,m,g)}return s}function a(t,e,r,n){return e.length&&(e.area=r,e.dist=n,t.push(e)),[]}e.exports=n},{}],357:[function(t,e,r){\"use strict\";function n(t,e){var r=[];if(\"FeatureCollection\"===t.type)for(var n=0;n<t.features.length;n++)i(r,t.features[n],e);else\"Feature\"===t.type?i(r,t,e):i(r,{geometry:t},e);return r}function i(t,e,r){var n,l,u,c=e.geometry,h=c.type,f=c.coordinates,d=e.properties;if(\"Point\"===h)t.push(o(d,1,[s(f)]));else if(\"MultiPoint\"===h)t.push(o(d,1,a(f)));else if(\"LineString\"===h)t.push(o(d,2,[a(f,r)]));else if(\"MultiLineString\"===h||\"Polygon\"===h){for(u=[],n=0;n<f.length;n++)u.push(a(f[n],r));t.push(o(d,\"Polygon\"===h?3:2,u))}else if(\"MultiPolygon\"===h){for(u=[],n=0;n<f.length;n++)for(l=0;l<f[n].length;l++)u.push(a(f[n][l],r));t.push(o(d,3,u))}else{if(\"GeometryCollection\"!==h)throw new Error(\"Input data is not a valid GeoJSON object.\");for(n=0;n<c.geometries.length;n++)i(t,{geometry:c.geometries[n],properties:d},r)}}function o(t,e,r){var n={geometry:r,type:e,tags:t||null,min:[2,1],max:[-1,0]};return u(n),n}function a(t,e){for(var r=[],n=0;n<t.length;n++)r.push(s(t[n]));return e&&(h(r,e),l(r)),r}function s(t){var e=Math.sin(t[1]*Math.PI/180),r=t[0]/360+.5,n=.5-.25*Math.log((1+e)/(1-e))/Math.PI;return n=-1>n?-1:n>1?1:n,[r,n,0]}function l(t){for(var e,r,n=0,i=0,o=0;o<t.length-1;o++)e=r||t[o],r=t[o+1],n+=e[0]*r[1]-r[0]*e[1],i+=Math.abs(r[0]-e[0])+Math.abs(r[1]-e[1]);t.area=Math.abs(n/2),t.dist=i}function u(t){var e=t.geometry,r=t.min,n=t.max;if(1===t.type)c(r,n,e);else for(var i=0;i<e.length;i++)c(r,n,e[i]);return t}function c(t,e,r){for(var n,i=0;i<r.length;i++)n=r[i],t[0]=Math.min(n[0],t[0]),e[0]=Math.max(n[0],e[0]),t[1]=Math.min(n[1],t[1]),e[1]=Math.max(n[1],e[1])}e.exports=n;var h=t(\"./simplify\")},{\"./simplify\":359}],358:[function(t,e,r){\"use strict\";function n(t,e){return new i(t,e)}function i(t,e){e=this.options=l(Object.create(this.options),e);var r=e.debug;r&&console.time(\"preprocess data\");var n=1<<e.maxZoom,i=c(t,e.tolerance/(n*e.extent));this.tiles={},this.tileCoords=[],r&&(console.timeEnd(\"preprocess data\"),console.log(\"index: maxZoom: %d, maxPoints: %d\",e.indexMaxZoom,e.indexMaxPoints),console.time(\"generate tiles\"),this.stats={},this.total=0),i=d(i,e.buffer/e.extent,a),i.length&&this.splitTile(i,0,0,0),r&&(i.length&&console.log(\"features: %d, points: %d\",this.tiles[0].numFeatures,this.tiles[0].numPoints),console.timeEnd(\"generate tiles\"),console.log(\"tiles generated:\",this.total,JSON.stringify(this.stats)))}function o(t,e,r){return 32*((1<<t)*r+e)+t}function a(t,e,r){return[r,(r-t[0])*(e[1]-t[1])/(e[0]-t[0])+t[1],1]}function s(t,e,r){return[(r-t[1])*(e[0]-t[0])/(e[1]-t[1])+t[0],r,1]}function l(t,e){for(var r in e)t[r]=e[r];return t}function u(t,e,r){var n=t.source;if(1!==n.length)return!1;var i=n[0];if(3!==i.type||i.geometry.length>1)return!1;var o=i.geometry[0].length;if(5!==o)return!1;for(var a=0;o>a;a++){var s=h.point(i.geometry[0][a],e,t.z2,t.x,t.y);if(s[0]!==-r&&s[0]!==e+r||s[1]!==-r&&s[1]!==e+r)return!1}return!0}e.exports=n;var c=t(\"./convert\"),h=t(\"./transform\"),f=t(\"./clip\"),d=t(\"./wrap\"),p=t(\"./tile\");i.prototype.options={maxZoom:14,indexMaxZoom:5,indexMaxPoints:1e5,solidChildren:!1,tolerance:3,extent:4096,buffer:64,debug:0},i.prototype.splitTile=function(t,e,r,n,i,l,c){for(var h=[t,e,r,n],d=this.options,v=d.debug,m=null;h.length;){n=h.pop(),r=h.pop(),e=h.pop(),t=h.pop();var g=1<<e,y=o(e,r,n),b=this.tiles[y],x=e===d.maxZoom?0:d.tolerance/(g*d.extent);if(!b&&(v>1&&console.time(\"creation\"),b=this.tiles[y]=p(t,g,r,n,x,e===d.maxZoom),this.tileCoords.push({z:e,x:r,y:n}),v)){v>1&&(console.log(\"tile z%d-%d-%d (features: %d, points: %d, simplified: %d)\",e,r,n,b.numFeatures,b.numPoints,b.numSimplified),console.timeEnd(\"creation\"));var _=\"z\"+e;this.stats[_]=(this.stats[_]||0)+1,this.total++}if(b.source=t,i){if(e===d.maxZoom||e===i)continue;var w=1<<i-e;if(r!==Math.floor(l/w)||n!==Math.floor(c/w))continue}else if(e===d.indexMaxZoom||b.numPoints<=d.indexMaxPoints)continue;if(d.solidChildren||!u(b,d.extent,d.buffer)){b.source=null,v>1&&console.time(\"clipping\");var M,k,A,T,E,S,L=.5*d.buffer/d.extent,z=.5-L,I=.5+L,P=1+L;M=k=A=T=null,E=f(t,g,r-L,r+I,0,a,b.min[0],b.max[0]),S=f(t,g,r+z,r+P,0,a,b.min[0],b.max[0]),E&&(M=f(E,g,n-L,n+I,1,s,b.min[1],b.max[1]),k=f(E,g,n+z,n+P,1,s,b.min[1],b.max[1])),S&&(A=f(S,g,n-L,n+I,1,s,b.min[1],b.max[1]),T=f(S,g,n+z,n+P,1,s,b.min[1],b.max[1])),v>1&&console.timeEnd(\"clipping\"),M&&h.push(M,e+1,2*r,2*n),k&&h.push(k,e+1,2*r,2*n+1),A&&h.push(A,e+1,2*r+1,2*n),T&&h.push(T,e+1,2*r+1,2*n+1)}else i&&(m=e)}return m},i.prototype.getTile=function(t,e,r){var n=this.options,i=n.extent,a=n.debug,s=1<<t;e=(e%s+s)%s;var l=o(t,e,r);if(this.tiles[l])return h.tile(this.tiles[l],i);a>1&&console.log(\"drilling down to z%d-%d-%d\",t,e,r);for(var c,f=t,d=e,p=r;!c&&f>0;)f--,d=Math.floor(d/2),p=Math.floor(p/2),c=this.tiles[o(f,d,p)];if(!c||!c.source)return null;if(a>1&&console.log(\"found parent tile z%d-%d-%d\",f,d,p),u(c,i,n.buffer))return h.tile(c,i);a>1&&console.time(\"drilling down\");var v=this.splitTile(c.source,f,d,p,t,e,r);if(a>1&&console.timeEnd(\"drilling down\"),null!==v){var m=1<<t-v;l=o(v,Math.floor(e/m),Math.floor(r/m))}return this.tiles[l]?h.tile(this.tiles[l],i):null}},{\"./clip\":356,\"./convert\":357,\"./tile\":360,\"./transform\":361,\"./wrap\":362}],359:[function(t,e,r){\"use strict\";function n(t,e){var r,n,o,a,s=e*e,l=t.length,u=0,c=l-1,h=[];for(t[u][2]=1,t[c][2]=1;c;){for(n=0,r=u+1;c>r;r++)o=i(t[r],t[u],t[c]),o>n&&(a=r,n=o);n>s?(t[a][2]=n,h.push(u),h.push(a),u=a):(c=h.pop(),u=h.pop())}}function i(t,e,r){var n=e[0],i=e[1],o=r[0],a=r[1],s=t[0],l=t[1],u=o-n,c=a-i;if(0!==u||0!==c){var h=((s-n)*u+(l-i)*c)/(u*u+c*c);h>1?(n=o,i=a):h>0&&(n+=u*h,i+=c*h)}return u=s-n,c=l-i,u*u+c*c}e.exports=n},{}],360:[function(t,e,r){\"use strict\";function n(t,e,r,n,o,a){for(var s={features:[],numPoints:0,numSimplified:0,numFeatures:0,source:null,x:r,y:n,z2:e,transformed:!1,min:[2,1],max:[-1,0]},l=0;l<t.length;l++){s.numFeatures++,i(s,t[l],o,a);var u=t[l].min,c=t[l].max;u[0]<s.min[0]&&(s.min[0]=u[0]),u[1]<s.min[1]&&(s.min[1]=u[1]),c[0]>s.max[0]&&(s.max[0]=c[0]),c[1]>s.max[1]&&(s.max[1]=c[1])}return s}function i(t,e,r,n){var i,o,a,s,l=e.geometry,u=e.type,c=[],h=r*r;if(1===u)for(i=0;i<l.length;i++)c.push(l[i]),t.numPoints++,t.numSimplified++;else for(i=0;i<l.length;i++)if(a=l[i],n||!(2===u&&a.dist<r||3===u&&a.area<h)){var f=[];for(o=0;o<a.length;o++)s=a[o],(n||s[2]>h)&&(f.push(s),t.numSimplified++),t.numPoints++;c.push(f)}else t.numPoints+=a.length;c.length&&t.features.push({geometry:c,type:u,tags:e.tags||null})}e.exports=n},{}],361:[function(t,e,r){\"use strict\";function n(t,e){if(t.transformed)return t;var r,n,o,a=t.z2,s=t.x,l=t.y;for(r=0;r<t.features.length;r++){var u=t.features[r],c=u.geometry,h=u.type;if(1===h)for(n=0;n<c.length;n++)c[n]=i(c[n],e,a,s,l);else for(n=0;n<c.length;n++){var f=c[n];for(o=0;o<f.length;o++)f[o]=i(f[o],e,a,s,l)}}return t.transformed=!0,t}function i(t,e,r,n,i){var o=Math.round(e*(t[0]*r-n)),a=Math.round(e*(t[1]*r-i));return[o,a]}r.tile=n,r.point=i},{}],362:[function(t,e,r){\"use strict\";function n(t,e,r){var n=t,o=a(t,1,-1-e,e,0,r,-1,2),s=a(t,1,1-e,2+e,0,r,-1,2);return(o||s)&&(n=a(t,1,-e,1+e,0,r,-1,2),o&&(n=i(o,1).concat(n)),s&&(n=n.concat(i(s,-1)))),n}function i(t,e){for(var r=[],n=0;n<t.length;n++){var i,a=t[n],s=a.type;if(1===s)i=o(a.geometry,e);else{i=[];for(var l=0;l<a.geometry.length;l++)i.push(o(a.geometry[l],e))}r.push({geometry:i,type:s,tags:a.tags,min:[a.min[0]+e,a.min[1]],max:[a.max[0]+e,a.max[1]]})}return r}function o(t,e){var r=[];r.area=t.area,r.dist=t.dist;for(var n=0;n<t.length;n++)r.push([t[n][0]+e,t[n][1],t[n][2]]);return r}var a=t(\"./clip\");e.exports=n},{\"./clip\":356}],363:[function(t,e,r){r.glMatrix=t(\"./gl-matrix/common.js\"),r.mat2=t(\"./gl-matrix/mat2.js\"),r.mat2d=t(\"./gl-matrix/mat2d.js\"),r.mat3=t(\"./gl-matrix/mat3.js\"),r.mat4=t(\"./gl-matrix/mat4.js\"),r.quat=t(\"./gl-matrix/quat.js\"),r.vec2=t(\"./gl-matrix/vec2.js\"),r.vec3=t(\"./gl-matrix/vec3.js\"),r.vec4=t(\"./gl-matrix/vec4.js\")},{\"./gl-matrix/common.js\":364,\"./gl-matrix/mat2.js\":365,\"./gl-matrix/mat2d.js\":366,\"./gl-matrix/mat3.js\":367,\"./gl-matrix/mat4.js\":368,\"./gl-matrix/quat.js\":369,\"./gl-matrix/vec2.js\":370,\"./gl-matrix/vec3.js\":371,\"./gl-matrix/vec4.js\":372}],364:[function(t,e,r){var n={};n.EPSILON=1e-6,n.ARRAY_TYPE=\"undefined\"!=typeof Float32Array?Float32Array:Array,n.RANDOM=Math.random,n.ENABLE_SIMD=!1,n.SIMD_AVAILABLE=n.ARRAY_TYPE===Float32Array&&\"SIMD\"in this,n.USE_SIMD=n.ENABLE_SIMD&&n.SIMD_AVAILABLE,n.setMatrixArrayType=function(t){n.ARRAY_TYPE=t};var i=Math.PI/180;n.toRadian=function(t){return t*i},n.equals=function(t,e){return Math.abs(t-e)<=n.EPSILON*Math.max(1,Math.abs(t),Math.abs(e))},e.exports=n},{}],365:[function(t,e,r){var n=t(\"./common.js\"),i={};i.create=function(){var t=new n.ARRAY_TYPE(4);return t[0]=1,t[1]=0,t[2]=0,t[3]=1,t},i.clone=function(t){var e=new n.ARRAY_TYPE(4);return e[0]=t[0],e[1]=t[1],e[2]=t[2],e[3]=t[3],e},i.copy=function(t,e){return t[0]=e[0],t[1]=e[1],t[2]=e[2],t[3]=e[3],t},i.identity=function(t){return t[0]=1,t[1]=0,t[2]=0,t[3]=1,t},i.fromValues=function(t,e,r,i){var o=new n.ARRAY_TYPE(4);return o[0]=t,o[1]=e,o[2]=r,o[3]=i,o},i.set=function(t,e,r,n,i){return t[0]=e,t[1]=r,t[2]=n,t[3]=i,t},i.transpose=function(t,e){if(t===e){var r=e[1];t[1]=e[2],t[2]=r}else t[0]=e[0],t[1]=e[2],t[2]=e[1],t[3]=e[3];return t},i.invert=function(t,e){var r=e[0],n=e[1],i=e[2],o=e[3],a=r*o-i*n;return a?(a=1/a,t[0]=o*a,t[1]=-n*a,t[2]=-i*a,t[3]=r*a,t):null},i.adjoint=function(t,e){var r=e[0];return t[0]=e[3],t[1]=-e[1],t[2]=-e[2],t[3]=r,t},i.determinant=function(t){return t[0]*t[3]-t[2]*t[1]},i.multiply=function(t,e,r){var n=e[0],i=e[1],o=e[2],a=e[3],s=r[0],l=r[1],u=r[2],c=r[3];return t[0]=n*s+o*l,t[1]=i*s+a*l,t[2]=n*u+o*c,t[3]=i*u+a*c,t},i.mul=i.multiply,i.rotate=function(t,e,r){var n=e[0],i=e[1],o=e[2],a=e[3],s=Math.sin(r),l=Math.cos(r);return t[0]=n*l+o*s,t[1]=i*l+a*s,t[2]=n*-s+o*l,t[3]=i*-s+a*l,t},i.scale=function(t,e,r){var n=e[0],i=e[1],o=e[2],a=e[3],s=r[0],l=r[1];return t[0]=n*s,t[1]=i*s,t[2]=o*l,t[3]=a*l,t},i.fromRotation=function(t,e){var r=Math.sin(e),n=Math.cos(e);return t[0]=n,t[1]=r,t[2]=-r,t[3]=n,t},i.fromScaling=function(t,e){return t[0]=e[0],t[1]=0,t[2]=0,t[3]=e[1],t},i.str=function(t){return\"mat2(\"+t[0]+\", \"+t[1]+\", \"+t[2]+\", \"+t[3]+\")\"},i.frob=function(t){return Math.sqrt(Math.pow(t[0],2)+Math.pow(t[1],2)+Math.pow(t[2],2)+Math.pow(t[3],2))},i.LDU=function(t,e,r,n){return t[2]=n[2]/n[0],r[0]=n[0],r[1]=n[1],r[3]=n[3]-t[2]*r[1],[t,e,r]},i.add=function(t,e,r){return t[0]=e[0]+r[0],t[1]=e[1]+r[1],t[2]=e[2]+r[2],t[3]=e[3]+r[3],t},i.subtract=function(t,e,r){return t[0]=e[0]-r[0],t[1]=e[1]-r[1],t[2]=e[2]-r[2],t[3]=e[3]-r[3],t},i.sub=i.subtract,i.exactEquals=function(t,e){return t[0]===e[0]&&t[1]===e[1]&&t[2]===e[2]&&t[3]===e[3]},i.equals=function(t,e){var r=t[0],i=t[1],o=t[2],a=t[3],s=e[0],l=e[1],u=e[2],c=e[3];return Math.abs(r-s)<=n.EPSILON*Math.max(1,Math.abs(r),Math.abs(s))&&Math.abs(i-l)<=n.EPSILON*Math.max(1,Math.abs(i),Math.abs(l))&&Math.abs(o-u)<=n.EPSILON*Math.max(1,Math.abs(o),Math.abs(u))&&Math.abs(a-c)<=n.EPSILON*Math.max(1,Math.abs(a),Math.abs(c))},i.multiplyScalar=function(t,e,r){return t[0]=e[0]*r,t[1]=e[1]*r,t[2]=e[2]*r,t[3]=e[3]*r,t},i.multiplyScalarAndAdd=function(t,e,r,n){return t[0]=e[0]+r[0]*n,t[1]=e[1]+r[1]*n,t[2]=e[2]+r[2]*n,t[3]=e[3]+r[3]*n,t},e.exports=i},{\"./common.js\":364}],366:[function(t,e,r){var n=t(\"./common.js\"),i={};i.create=function(){var t=new n.ARRAY_TYPE(6);return t[0]=1,t[1]=0,t[2]=0,t[3]=1,t[4]=0,t[5]=0,t},i.clone=function(t){var e=new n.ARRAY_TYPE(6);return e[0]=t[0],e[1]=t[1],e[2]=t[2],e[3]=t[3],e[4]=t[4],e[5]=t[5],e},i.copy=function(t,e){return t[0]=e[0],t[1]=e[1],t[2]=e[2],t[3]=e[3],t[4]=e[4],t[5]=e[5],t},i.identity=function(t){return t[0]=1,t[1]=0,t[2]=0,t[3]=1,t[4]=0,t[5]=0,t},i.fromValues=function(t,e,r,i,o,a){var s=new n.ARRAY_TYPE(6);return s[0]=t,s[1]=e,s[2]=r,s[3]=i,s[4]=o,s[5]=a,s},i.set=function(t,e,r,n,i,o,a){return t[0]=e,t[1]=r,t[2]=n,t[3]=i,t[4]=o,t[5]=a,t},i.invert=function(t,e){var r=e[0],n=e[1],i=e[2],o=e[3],a=e[4],s=e[5],l=r*o-n*i;return l?(l=1/l,t[0]=o*l,t[1]=-n*l,t[2]=-i*l,t[3]=r*l,t[4]=(i*s-o*a)*l,t[5]=(n*a-r*s)*l,t):null},i.determinant=function(t){return t[0]*t[3]-t[1]*t[2]},i.multiply=function(t,e,r){var n=e[0],i=e[1],o=e[2],a=e[3],s=e[4],l=e[5],u=r[0],c=r[1],h=r[2],f=r[3],d=r[4],p=r[5];return t[0]=n*u+o*c,t[1]=i*u+a*c,t[2]=n*h+o*f,t[3]=i*h+a*f,t[4]=n*d+o*p+s,t[5]=i*d+a*p+l,t},i.mul=i.multiply,i.rotate=function(t,e,r){var n=e[0],i=e[1],o=e[2],a=e[3],s=e[4],l=e[5],u=Math.sin(r),c=Math.cos(r);return t[0]=n*c+o*u,t[1]=i*c+a*u,t[2]=n*-u+o*c,t[3]=i*-u+a*c,t[4]=s,t[5]=l,t},i.scale=function(t,e,r){var n=e[0],i=e[1],o=e[2],a=e[3],s=e[4],l=e[5],u=r[0],c=r[1];return t[0]=n*u,t[1]=i*u,t[2]=o*c,t[3]=a*c,t[4]=s,t[5]=l,t},i.translate=function(t,e,r){var n=e[0],i=e[1],o=e[2],a=e[3],s=e[4],l=e[5],u=r[0],c=r[1];return t[0]=n,t[1]=i,t[2]=o,t[3]=a,t[4]=n*u+o*c+s,t[5]=i*u+a*c+l,t},i.fromRotation=function(t,e){var r=Math.sin(e),n=Math.cos(e);return t[0]=n,t[1]=r,t[2]=-r,t[3]=n,t[4]=0,t[5]=0,t},i.fromScaling=function(t,e){return t[0]=e[0],t[1]=0,t[2]=0,t[3]=e[1],t[4]=0,t[5]=0,t},i.fromTranslation=function(t,e){return t[0]=1,t[1]=0,t[2]=0,t[3]=1,t[4]=e[0],t[5]=e[1],t},i.str=function(t){return\"mat2d(\"+t[0]+\", \"+t[1]+\", \"+t[2]+\", \"+t[3]+\", \"+t[4]+\", \"+t[5]+\")\"},i.frob=function(t){return Math.sqrt(Math.pow(t[0],2)+Math.pow(t[1],2)+Math.pow(t[2],2)+Math.pow(t[3],2)+Math.pow(t[4],2)+Math.pow(t[5],2)+1)},i.add=function(t,e,r){return t[0]=e[0]+r[0],t[1]=e[1]+r[1],t[2]=e[2]+r[2],t[3]=e[3]+r[3],t[4]=e[4]+r[4],t[5]=e[5]+r[5],t},i.subtract=function(t,e,r){return t[0]=e[0]-r[0],t[1]=e[1]-r[1],t[2]=e[2]-r[2],t[3]=e[3]-r[3],t[4]=e[4]-r[4],t[5]=e[5]-r[5],t},i.sub=i.subtract,i.multiplyScalar=function(t,e,r){return t[0]=e[0]*r,t[1]=e[1]*r,t[2]=e[2]*r,t[3]=e[3]*r,t[4]=e[4]*r,t[5]=e[5]*r,t},i.multiplyScalarAndAdd=function(t,e,r,n){return t[0]=e[0]+r[0]*n,t[1]=e[1]+r[1]*n,t[2]=e[2]+r[2]*n,t[3]=e[3]+r[3]*n,t[4]=e[4]+r[4]*n,t[5]=e[5]+r[5]*n,t},i.exactEquals=function(t,e){return t[0]===e[0]&&t[1]===e[1]&&t[2]===e[2]&&t[3]===e[3]&&t[4]===e[4]&&t[5]===e[5]},i.equals=function(t,e){var r=t[0],i=t[1],o=t[2],a=t[3],s=t[4],l=t[5],u=e[0],c=e[1],h=e[2],f=e[3],d=e[4],p=e[5];return Math.abs(r-u)<=n.EPSILON*Math.max(1,Math.abs(r),Math.abs(u))&&Math.abs(i-c)<=n.EPSILON*Math.max(1,Math.abs(i),Math.abs(c))&&Math.abs(o-h)<=n.EPSILON*Math.max(1,Math.abs(o),Math.abs(h))&&Math.abs(a-f)<=n.EPSILON*Math.max(1,Math.abs(a),Math.abs(f))&&Math.abs(s-d)<=n.EPSILON*Math.max(1,Math.abs(s),Math.abs(d))&&Math.abs(l-p)<=n.EPSILON*Math.max(1,Math.abs(l),Math.abs(p))},e.exports=i},{\"./common.js\":364}],367:[function(t,e,r){var n=t(\"./common.js\"),i={};i.create=function(){var t=new n.ARRAY_TYPE(9);return t[0]=1,t[1]=0,t[2]=0,t[3]=0,t[4]=1,t[5]=0,t[6]=0,t[7]=0,t[8]=1,t},i.fromMat4=function(t,e){return t[0]=e[0],t[1]=e[1],t[2]=e[2],t[3]=e[4],t[4]=e[5],t[5]=e[6],t[6]=e[8],t[7]=e[9],t[8]=e[10],t},i.clone=function(t){var e=new n.ARRAY_TYPE(9);return e[0]=t[0],e[1]=t[1],e[2]=t[2],e[3]=t[3],e[4]=t[4],e[5]=t[5],e[6]=t[6],e[7]=t[7],e[8]=t[8],e},i.copy=function(t,e){return t[0]=e[0],t[1]=e[1],t[2]=e[2],t[3]=e[3],t[4]=e[4],t[5]=e[5],t[6]=e[6],t[7]=e[7],t[8]=e[8],t},i.fromValues=function(t,e,r,i,o,a,s,l,u){var c=new n.ARRAY_TYPE(9);return c[0]=t,c[1]=e,c[2]=r,c[3]=i,c[4]=o,c[5]=a,c[6]=s,c[7]=l,c[8]=u,c},i.set=function(t,e,r,n,i,o,a,s,l,u){return t[0]=e,t[1]=r,t[2]=n,t[3]=i,t[4]=o,t[5]=a,t[6]=s,t[7]=l,t[8]=u,t},i.identity=function(t){return t[0]=1,t[1]=0,t[2]=0,t[3]=0,t[4]=1,t[5]=0,t[6]=0,t[7]=0,t[8]=1,t},i.transpose=function(t,e){if(t===e){var r=e[1],n=e[2],i=e[5];t[1]=e[3],t[2]=e[6],t[3]=r,t[5]=e[7],t[6]=n,t[7]=i}else t[0]=e[0],t[1]=e[3],t[2]=e[6],t[3]=e[1],t[4]=e[4],t[5]=e[7],t[6]=e[2],t[7]=e[5],t[8]=e[8];return t},i.invert=function(t,e){var r=e[0],n=e[1],i=e[2],o=e[3],a=e[4],s=e[5],l=e[6],u=e[7],c=e[8],h=c*a-s*u,f=-c*o+s*l,d=u*o-a*l,p=r*h+n*f+i*d;return p?(p=1/p,t[0]=h*p,t[1]=(-c*n+i*u)*p,t[2]=(s*n-i*a)*p,t[3]=f*p,t[4]=(c*r-i*l)*p,t[5]=(-s*r+i*o)*p,t[6]=d*p,t[7]=(-u*r+n*l)*p,t[8]=(a*r-n*o)*p,t):null},i.adjoint=function(t,e){var r=e[0],n=e[1],i=e[2],o=e[3],a=e[4],s=e[5],l=e[6],u=e[7],c=e[8];return t[0]=a*c-s*u,t[1]=i*u-n*c,t[2]=n*s-i*a,t[3]=s*l-o*c,t[4]=r*c-i*l,t[5]=i*o-r*s,t[6]=o*u-a*l,t[7]=n*l-r*u,t[8]=r*a-n*o,t},i.determinant=function(t){var e=t[0],r=t[1],n=t[2],i=t[3],o=t[4],a=t[5],s=t[6],l=t[7],u=t[8];return e*(u*o-a*l)+r*(-u*i+a*s)+n*(l*i-o*s)},i.multiply=function(t,e,r){var n=e[0],i=e[1],o=e[2],a=e[3],s=e[4],l=e[5],u=e[6],c=e[7],h=e[8],f=r[0],d=r[1],p=r[2],v=r[3],m=r[4],g=r[5],y=r[6],b=r[7],x=r[8];return t[0]=f*n+d*a+p*u,t[1]=f*i+d*s+p*c,t[2]=f*o+d*l+p*h,t[3]=v*n+m*a+g*u,t[4]=v*i+m*s+g*c,t[5]=v*o+m*l+g*h,t[6]=y*n+b*a+x*u,t[7]=y*i+b*s+x*c,t[8]=y*o+b*l+x*h,t},i.mul=i.multiply,i.translate=function(t,e,r){var n=e[0],i=e[1],o=e[2],a=e[3],s=e[4],l=e[5],u=e[6],c=e[7],h=e[8],f=r[0],d=r[1];return t[0]=n,t[1]=i,t[2]=o,t[3]=a,t[4]=s,t[5]=l,t[6]=f*n+d*a+u,t[7]=f*i+d*s+c,t[8]=f*o+d*l+h,t},i.rotate=function(t,e,r){var n=e[0],i=e[1],o=e[2],a=e[3],s=e[4],l=e[5],u=e[6],c=e[7],h=e[8],f=Math.sin(r),d=Math.cos(r);return t[0]=d*n+f*a,t[1]=d*i+f*s,t[2]=d*o+f*l,t[3]=d*a-f*n,t[4]=d*s-f*i,t[5]=d*l-f*o,t[6]=u,t[7]=c,t[8]=h,t},i.scale=function(t,e,r){var n=r[0],i=r[1];return t[0]=n*e[0],t[1]=n*e[1],t[2]=n*e[2],t[3]=i*e[3],t[4]=i*e[4],t[5]=i*e[5],t[6]=e[6],t[7]=e[7],t[8]=e[8],t},i.fromTranslation=function(t,e){return t[0]=1,t[1]=0,t[2]=0,t[3]=0,t[4]=1,t[5]=0,t[6]=e[0],t[7]=e[1],t[8]=1,t},i.fromRotation=function(t,e){var r=Math.sin(e),n=Math.cos(e);return t[0]=n,t[1]=r,t[2]=0,t[3]=-r,t[4]=n,t[5]=0,t[6]=0,t[7]=0,t[8]=1,t},i.fromScaling=function(t,e){return t[0]=e[0],t[1]=0,t[2]=0,t[3]=0,t[4]=e[1],t[5]=0,t[6]=0,t[7]=0,t[8]=1,t},i.fromMat2d=function(t,e){return t[0]=e[0],t[1]=e[1],t[2]=0,t[3]=e[2],t[4]=e[3],t[5]=0,t[6]=e[4],t[7]=e[5],t[8]=1,t},i.fromQuat=function(t,e){var r=e[0],n=e[1],i=e[2],o=e[3],a=r+r,s=n+n,l=i+i,u=r*a,c=n*a,h=n*s,f=i*a,d=i*s,p=i*l,v=o*a,m=o*s,g=o*l;return t[0]=1-h-p,t[3]=c-g,t[6]=f+m,t[1]=c+g,t[4]=1-u-p,t[7]=d-v,t[2]=f-m,t[5]=d+v,t[8]=1-u-h,t},i.normalFromMat4=function(t,e){var r=e[0],n=e[1],i=e[2],o=e[3],a=e[4],s=e[5],l=e[6],u=e[7],c=e[8],h=e[9],f=e[10],d=e[11],p=e[12],v=e[13],m=e[14],g=e[15],y=r*s-n*a,b=r*l-i*a,x=r*u-o*a,_=n*l-i*s,w=n*u-o*s,M=i*u-o*l,k=c*v-h*p,A=c*m-f*p,T=c*g-d*p,E=h*m-f*v,S=h*g-d*v,L=f*g-d*m,z=y*L-b*S+x*E+_*T-w*A+M*k;return z?(z=1/z,t[0]=(s*L-l*S+u*E)*z,t[1]=(l*T-a*L-u*A)*z,t[2]=(a*S-s*T+u*k)*z,t[3]=(i*S-n*L-o*E)*z,t[4]=(r*L-i*T+o*A)*z,t[5]=(n*T-r*S-o*k)*z,t[6]=(v*M-m*w+g*_)*z,t[7]=(m*x-p*M-g*b)*z,t[8]=(p*w-v*x+g*y)*z,t):null},i.str=function(t){return\"mat3(\"+t[0]+\", \"+t[1]+\", \"+t[2]+\", \"+t[3]+\", \"+t[4]+\", \"+t[5]+\", \"+t[6]+\", \"+t[7]+\", \"+t[8]+\")\"},i.frob=function(t){return Math.sqrt(Math.pow(t[0],2)+Math.pow(t[1],2)+Math.pow(t[2],2)+Math.pow(t[3],2)+Math.pow(t[4],2)+Math.pow(t[5],2)+Math.pow(t[6],2)+Math.pow(t[7],2)+Math.pow(t[8],2))},i.add=function(t,e,r){return t[0]=e[0]+r[0],t[1]=e[1]+r[1],t[2]=e[2]+r[2],t[3]=e[3]+r[3],t[4]=e[4]+r[4],t[5]=e[5]+r[5],t[6]=e[6]+r[6],t[7]=e[7]+r[7],t[8]=e[8]+r[8],t},i.subtract=function(t,e,r){return t[0]=e[0]-r[0],t[1]=e[1]-r[1],t[2]=e[2]-r[2],t[3]=e[3]-r[3],t[4]=e[4]-r[4],t[5]=e[5]-r[5],t[6]=e[6]-r[6],t[7]=e[7]-r[7],t[8]=e[8]-r[8],t},i.sub=i.subtract,i.multiplyScalar=function(t,e,r){return t[0]=e[0]*r,t[1]=e[1]*r,t[2]=e[2]*r,t[3]=e[3]*r,t[4]=e[4]*r,t[5]=e[5]*r,t[6]=e[6]*r,t[7]=e[7]*r,t[8]=e[8]*r,t},i.multiplyScalarAndAdd=function(t,e,r,n){return t[0]=e[0]+r[0]*n,t[1]=e[1]+r[1]*n,t[2]=e[2]+r[2]*n,t[3]=e[3]+r[3]*n,t[4]=e[4]+r[4]*n,t[5]=e[5]+r[5]*n,t[6]=e[6]+r[6]*n,t[7]=e[7]+r[7]*n,t[8]=e[8]+r[8]*n,t},i.exactEquals=function(t,e){return t[0]===e[0]&&t[1]===e[1]&&t[2]===e[2]&&t[3]===e[3]&&t[4]===e[4]&&t[5]===e[5]&&t[6]===e[6]&&t[7]===e[7]&&t[8]===e[8]},i.equals=function(t,e){var r=t[0],i=t[1],o=t[2],a=t[3],s=t[4],l=t[5],u=t[6],c=t[7],h=t[8],f=e[0],d=e[1],p=e[2],v=e[3],m=e[4],g=e[5],y=t[6],b=e[7],x=e[8];return Math.abs(r-f)<=n.EPSILON*Math.max(1,Math.abs(r),Math.abs(f))&&Math.abs(i-d)<=n.EPSILON*Math.max(1,Math.abs(i),Math.abs(d))&&Math.abs(o-p)<=n.EPSILON*Math.max(1,Math.abs(o),Math.abs(p))&&Math.abs(a-v)<=n.EPSILON*Math.max(1,Math.abs(a),Math.abs(v))&&Math.abs(s-m)<=n.EPSILON*Math.max(1,Math.abs(s),Math.abs(m))&&Math.abs(l-g)<=n.EPSILON*Math.max(1,Math.abs(l),Math.abs(g))&&Math.abs(u-y)<=n.EPSILON*Math.max(1,Math.abs(u),Math.abs(y))&&Math.abs(c-b)<=n.EPSILON*Math.max(1,Math.abs(c),Math.abs(b))&&Math.abs(h-x)<=n.EPSILON*Math.max(1,Math.abs(h),Math.abs(x))},e.exports=i},{\"./common.js\":364}],368:[function(t,e,r){var n=t(\"./common.js\"),i={scalar:{},SIMD:{}};i.create=function(){var t=new n.ARRAY_TYPE(16);return t[0]=1,t[1]=0,t[2]=0,t[3]=0,t[4]=0,t[5]=1,t[6]=0,t[7]=0,t[8]=0,t[9]=0,t[10]=1,t[11]=0,t[12]=0,t[13]=0,t[14]=0,t[15]=1,t},i.clone=function(t){var e=new n.ARRAY_TYPE(16);return e[0]=t[0],e[1]=t[1],e[2]=t[2],e[3]=t[3],e[4]=t[4],e[5]=t[5],e[6]=t[6],e[7]=t[7],e[8]=t[8],e[9]=t[9],e[10]=t[10],e[11]=t[11],e[12]=t[12],e[13]=t[13],e[14]=t[14],e[15]=t[15],e},i.copy=function(t,e){return t[0]=e[0],t[1]=e[1],t[2]=e[2],t[3]=e[3],t[4]=e[4],t[5]=e[5],t[6]=e[6],t[7]=e[7],t[8]=e[8],t[9]=e[9],t[10]=e[10],t[11]=e[11],t[12]=e[12],t[13]=e[13],t[14]=e[14],t[15]=e[15],t},i.fromValues=function(t,e,r,i,o,a,s,l,u,c,h,f,d,p,v,m){var g=new n.ARRAY_TYPE(16);return g[0]=t,g[1]=e,g[2]=r,g[3]=i,g[4]=o,g[5]=a,g[6]=s,g[7]=l,g[8]=u,g[9]=c,g[10]=h,g[11]=f,g[12]=d,g[13]=p,g[14]=v,g[15]=m,g},i.set=function(t,e,r,n,i,o,a,s,l,u,c,h,f,d,p,v,m){return t[0]=e,t[1]=r,t[2]=n,t[3]=i,t[4]=o,t[5]=a,t[6]=s,t[7]=l,t[8]=u,t[9]=c,t[10]=h,t[11]=f,t[12]=d,t[13]=p,t[14]=v,t[15]=m,t},i.identity=function(t){return t[0]=1,t[1]=0,t[2]=0,t[3]=0,t[4]=0,t[5]=1,t[6]=0,t[7]=0,t[8]=0,t[9]=0,t[10]=1,t[11]=0,t[12]=0,t[13]=0,t[14]=0,t[15]=1,t},i.scalar.transpose=function(t,e){if(t===e){var r=e[1],n=e[2],i=e[3],o=e[6],a=e[7],s=e[11];t[1]=e[4],t[2]=e[8],t[3]=e[12],t[4]=r,t[6]=e[9],t[7]=e[13],t[8]=n,t[9]=o,t[11]=e[14],t[12]=i,t[13]=a,t[14]=s}else t[0]=e[0],t[1]=e[4],t[2]=e[8],t[3]=e[12],t[4]=e[1],t[5]=e[5],t[6]=e[9],t[7]=e[13],t[8]=e[2],t[9]=e[6],t[10]=e[10],t[11]=e[14],t[12]=e[3],t[13]=e[7],t[14]=e[11],t[15]=e[15];return t},i.SIMD.transpose=function(t,e){var r,n,i,o,a,s,l,u,c,h;return r=SIMD.Float32x4.load(e,0),n=SIMD.Float32x4.load(e,4),i=SIMD.Float32x4.load(e,8),o=SIMD.Float32x4.load(e,12),a=SIMD.Float32x4.shuffle(r,n,0,1,4,5),s=SIMD.Float32x4.shuffle(i,o,0,1,4,5),l=SIMD.Float32x4.shuffle(a,s,0,2,4,6),u=SIMD.Float32x4.shuffle(a,s,1,3,5,7),SIMD.Float32x4.store(t,0,l),SIMD.Float32x4.store(t,4,u),a=SIMD.Float32x4.shuffle(r,n,2,3,6,7),s=SIMD.Float32x4.shuffle(i,o,2,3,6,7),c=SIMD.Float32x4.shuffle(a,s,0,2,4,6),h=SIMD.Float32x4.shuffle(a,s,1,3,5,7),SIMD.Float32x4.store(t,8,c),SIMD.Float32x4.store(t,12,h),t},i.transpose=n.USE_SIMD?i.SIMD.transpose:i.scalar.transpose,i.scalar.invert=function(t,e){var r=e[0],n=e[1],i=e[2],o=e[3],a=e[4],s=e[5],l=e[6],u=e[7],c=e[8],h=e[9],f=e[10],d=e[11],p=e[12],v=e[13],m=e[14],g=e[15],y=r*s-n*a,b=r*l-i*a,x=r*u-o*a,_=n*l-i*s,w=n*u-o*s,M=i*u-o*l,k=c*v-h*p,A=c*m-f*p,T=c*g-d*p,E=h*m-f*v,S=h*g-d*v,L=f*g-d*m,z=y*L-b*S+x*E+_*T-w*A+M*k;return z?(z=1/z,t[0]=(s*L-l*S+u*E)*z,t[1]=(i*S-n*L-o*E)*z,t[2]=(v*M-m*w+g*_)*z,t[3]=(f*w-h*M-d*_)*z,t[4]=(l*T-a*L-u*A)*z,t[5]=(r*L-i*T+o*A)*z,t[6]=(m*x-p*M-g*b)*z,t[7]=(c*M-f*x+d*b)*z,t[8]=(a*S-s*T+u*k)*z,t[9]=(n*T-r*S-o*k)*z,t[10]=(p*w-v*x+g*y)*z,t[11]=(h*x-c*w-d*y)*z,t[12]=(s*A-a*E-l*k)*z,t[13]=(r*E-n*A+i*k)*z,t[14]=(v*b-p*_-m*y)*z,t[15]=(c*_-h*b+f*y)*z,t):null},i.SIMD.invert=function(t,e){var r,n,i,o,a,s,l,u,c,h,f=SIMD.Float32x4.load(e,0),d=SIMD.Float32x4.load(e,4),p=SIMD.Float32x4.load(e,8),v=SIMD.Float32x4.load(e,12);return a=SIMD.Float32x4.shuffle(f,d,0,1,4,5),n=SIMD.Float32x4.shuffle(p,v,0,1,4,5),r=SIMD.Float32x4.shuffle(a,n,0,2,4,6),n=SIMD.Float32x4.shuffle(n,a,1,3,5,7),a=SIMD.Float32x4.shuffle(f,d,2,3,6,7),o=SIMD.Float32x4.shuffle(p,v,2,3,6,7),i=SIMD.Float32x4.shuffle(a,o,0,2,4,6),o=SIMD.Float32x4.shuffle(o,a,1,3,5,7),a=SIMD.Float32x4.mul(i,o),a=SIMD.Float32x4.swizzle(a,1,0,3,2),s=SIMD.Float32x4.mul(n,a),l=SIMD.Float32x4.mul(r,a),a=SIMD.Float32x4.swizzle(a,2,3,0,1),s=SIMD.Float32x4.sub(SIMD.Float32x4.mul(n,a),s),l=SIMD.Float32x4.sub(SIMD.Float32x4.mul(r,a),l),l=SIMD.Float32x4.swizzle(l,2,3,0,1),a=SIMD.Float32x4.mul(n,i),a=SIMD.Float32x4.swizzle(a,1,0,3,2),s=SIMD.Float32x4.add(SIMD.Float32x4.mul(o,a),s),c=SIMD.Float32x4.mul(r,a),a=SIMD.Float32x4.swizzle(a,2,3,0,1),s=SIMD.Float32x4.sub(s,SIMD.Float32x4.mul(o,a)),c=SIMD.Float32x4.sub(SIMD.Float32x4.mul(r,a),c),c=SIMD.Float32x4.swizzle(c,2,3,0,1),a=SIMD.Float32x4.mul(SIMD.Float32x4.swizzle(n,2,3,0,1),o),a=SIMD.Float32x4.swizzle(a,1,0,3,2),i=SIMD.Float32x4.swizzle(i,2,3,0,1),s=SIMD.Float32x4.add(SIMD.Float32x4.mul(i,a),s),u=SIMD.Float32x4.mul(r,a),a=SIMD.Float32x4.swizzle(a,2,3,0,1),s=SIMD.Float32x4.sub(s,SIMD.Float32x4.mul(i,a)),u=SIMD.Float32x4.sub(SIMD.Float32x4.mul(r,a),u),u=SIMD.Float32x4.swizzle(u,2,3,0,1),a=SIMD.Float32x4.mul(r,n),a=SIMD.Float32x4.swizzle(a,1,0,3,2),u=SIMD.Float32x4.add(SIMD.Float32x4.mul(o,a),u),c=SIMD.Float32x4.sub(SIMD.Float32x4.mul(i,a),c),a=SIMD.Float32x4.swizzle(a,2,3,0,1),u=SIMD.Float32x4.sub(SIMD.Float32x4.mul(o,a),u),c=SIMD.Float32x4.sub(c,SIMD.Float32x4.mul(i,a)),a=SIMD.Float32x4.mul(r,o),a=SIMD.Float32x4.swizzle(a,1,0,3,2),l=SIMD.Float32x4.sub(l,SIMD.Float32x4.mul(i,a)),u=SIMD.Float32x4.add(SIMD.Float32x4.mul(n,a),u),a=SIMD.Float32x4.swizzle(a,2,3,0,1),l=SIMD.Float32x4.add(SIMD.Float32x4.mul(i,a),l),u=SIMD.Float32x4.sub(u,SIMD.Float32x4.mul(n,a)),a=SIMD.Float32x4.mul(r,i),a=SIMD.Float32x4.swizzle(a,1,0,3,2),l=SIMD.Float32x4.add(SIMD.Float32x4.mul(o,a),l),c=SIMD.Float32x4.sub(c,SIMD.Float32x4.mul(n,a)),a=SIMD.Float32x4.swizzle(a,2,3,0,1),l=SIMD.Float32x4.sub(l,SIMD.Float32x4.mul(o,a)),c=SIMD.Float32x4.add(SIMD.Float32x4.mul(n,a),c),\nh=SIMD.Float32x4.mul(r,s),h=SIMD.Float32x4.add(SIMD.Float32x4.swizzle(h,2,3,0,1),h),h=SIMD.Float32x4.add(SIMD.Float32x4.swizzle(h,1,0,3,2),h),a=SIMD.Float32x4.reciprocalApproximation(h),h=SIMD.Float32x4.sub(SIMD.Float32x4.add(a,a),SIMD.Float32x4.mul(h,SIMD.Float32x4.mul(a,a))),(h=SIMD.Float32x4.swizzle(h,0,0,0,0))?(SIMD.Float32x4.store(t,0,SIMD.Float32x4.mul(h,s)),SIMD.Float32x4.store(t,4,SIMD.Float32x4.mul(h,l)),SIMD.Float32x4.store(t,8,SIMD.Float32x4.mul(h,u)),SIMD.Float32x4.store(t,12,SIMD.Float32x4.mul(h,c)),t):null},i.invert=n.USE_SIMD?i.SIMD.invert:i.scalar.invert,i.scalar.adjoint=function(t,e){var r=e[0],n=e[1],i=e[2],o=e[3],a=e[4],s=e[5],l=e[6],u=e[7],c=e[8],h=e[9],f=e[10],d=e[11],p=e[12],v=e[13],m=e[14],g=e[15];return t[0]=s*(f*g-d*m)-h*(l*g-u*m)+v*(l*d-u*f),t[1]=-(n*(f*g-d*m)-h*(i*g-o*m)+v*(i*d-o*f)),t[2]=n*(l*g-u*m)-s*(i*g-o*m)+v*(i*u-o*l),t[3]=-(n*(l*d-u*f)-s*(i*d-o*f)+h*(i*u-o*l)),t[4]=-(a*(f*g-d*m)-c*(l*g-u*m)+p*(l*d-u*f)),t[5]=r*(f*g-d*m)-c*(i*g-o*m)+p*(i*d-o*f),t[6]=-(r*(l*g-u*m)-a*(i*g-o*m)+p*(i*u-o*l)),t[7]=r*(l*d-u*f)-a*(i*d-o*f)+c*(i*u-o*l),t[8]=a*(h*g-d*v)-c*(s*g-u*v)+p*(s*d-u*h),t[9]=-(r*(h*g-d*v)-c*(n*g-o*v)+p*(n*d-o*h)),t[10]=r*(s*g-u*v)-a*(n*g-o*v)+p*(n*u-o*s),t[11]=-(r*(s*d-u*h)-a*(n*d-o*h)+c*(n*u-o*s)),t[12]=-(a*(h*m-f*v)-c*(s*m-l*v)+p*(s*f-l*h)),t[13]=r*(h*m-f*v)-c*(n*m-i*v)+p*(n*f-i*h),t[14]=-(r*(s*m-l*v)-a*(n*m-i*v)+p*(n*l-i*s)),t[15]=r*(s*f-l*h)-a*(n*f-i*h)+c*(n*l-i*s),t},i.SIMD.adjoint=function(t,e){var r,n,i,o,a,s,l,u,c,h,f,d,p,r=SIMD.Float32x4.load(e,0),n=SIMD.Float32x4.load(e,4),i=SIMD.Float32x4.load(e,8),o=SIMD.Float32x4.load(e,12);return c=SIMD.Float32x4.shuffle(r,n,0,1,4,5),s=SIMD.Float32x4.shuffle(i,o,0,1,4,5),a=SIMD.Float32x4.shuffle(c,s,0,2,4,6),s=SIMD.Float32x4.shuffle(s,c,1,3,5,7),c=SIMD.Float32x4.shuffle(r,n,2,3,6,7),u=SIMD.Float32x4.shuffle(i,o,2,3,6,7),l=SIMD.Float32x4.shuffle(c,u,0,2,4,6),u=SIMD.Float32x4.shuffle(u,c,1,3,5,7),c=SIMD.Float32x4.mul(l,u),c=SIMD.Float32x4.swizzle(c,1,0,3,2),h=SIMD.Float32x4.mul(s,c),f=SIMD.Float32x4.mul(a,c),c=SIMD.Float32x4.swizzle(c,2,3,0,1),h=SIMD.Float32x4.sub(SIMD.Float32x4.mul(s,c),h),f=SIMD.Float32x4.sub(SIMD.Float32x4.mul(a,c),f),f=SIMD.Float32x4.swizzle(f,2,3,0,1),c=SIMD.Float32x4.mul(s,l),c=SIMD.Float32x4.swizzle(c,1,0,3,2),h=SIMD.Float32x4.add(SIMD.Float32x4.mul(u,c),h),p=SIMD.Float32x4.mul(a,c),c=SIMD.Float32x4.swizzle(c,2,3,0,1),h=SIMD.Float32x4.sub(h,SIMD.Float32x4.mul(u,c)),p=SIMD.Float32x4.sub(SIMD.Float32x4.mul(a,c),p),p=SIMD.Float32x4.swizzle(p,2,3,0,1),c=SIMD.Float32x4.mul(SIMD.Float32x4.swizzle(s,2,3,0,1),u),c=SIMD.Float32x4.swizzle(c,1,0,3,2),l=SIMD.Float32x4.swizzle(l,2,3,0,1),h=SIMD.Float32x4.add(SIMD.Float32x4.mul(l,c),h),d=SIMD.Float32x4.mul(a,c),c=SIMD.Float32x4.swizzle(c,2,3,0,1),h=SIMD.Float32x4.sub(h,SIMD.Float32x4.mul(l,c)),d=SIMD.Float32x4.sub(SIMD.Float32x4.mul(a,c),d),d=SIMD.Float32x4.swizzle(d,2,3,0,1),c=SIMD.Float32x4.mul(a,s),c=SIMD.Float32x4.swizzle(c,1,0,3,2),d=SIMD.Float32x4.add(SIMD.Float32x4.mul(u,c),d),p=SIMD.Float32x4.sub(SIMD.Float32x4.mul(l,c),p),c=SIMD.Float32x4.swizzle(c,2,3,0,1),d=SIMD.Float32x4.sub(SIMD.Float32x4.mul(u,c),d),p=SIMD.Float32x4.sub(p,SIMD.Float32x4.mul(l,c)),c=SIMD.Float32x4.mul(a,u),c=SIMD.Float32x4.swizzle(c,1,0,3,2),f=SIMD.Float32x4.sub(f,SIMD.Float32x4.mul(l,c)),d=SIMD.Float32x4.add(SIMD.Float32x4.mul(s,c),d),c=SIMD.Float32x4.swizzle(c,2,3,0,1),f=SIMD.Float32x4.add(SIMD.Float32x4.mul(l,c),f),d=SIMD.Float32x4.sub(d,SIMD.Float32x4.mul(s,c)),c=SIMD.Float32x4.mul(a,l),c=SIMD.Float32x4.swizzle(c,1,0,3,2),f=SIMD.Float32x4.add(SIMD.Float32x4.mul(u,c),f),p=SIMD.Float32x4.sub(p,SIMD.Float32x4.mul(s,c)),c=SIMD.Float32x4.swizzle(c,2,3,0,1),f=SIMD.Float32x4.sub(f,SIMD.Float32x4.mul(u,c)),p=SIMD.Float32x4.add(SIMD.Float32x4.mul(s,c),p),SIMD.Float32x4.store(t,0,h),SIMD.Float32x4.store(t,4,f),SIMD.Float32x4.store(t,8,d),SIMD.Float32x4.store(t,12,p),t},i.adjoint=n.USE_SIMD?i.SIMD.adjoint:i.scalar.adjoint,i.determinant=function(t){var e=t[0],r=t[1],n=t[2],i=t[3],o=t[4],a=t[5],s=t[6],l=t[7],u=t[8],c=t[9],h=t[10],f=t[11],d=t[12],p=t[13],v=t[14],m=t[15],g=e*a-r*o,y=e*s-n*o,b=e*l-i*o,x=r*s-n*a,_=r*l-i*a,w=n*l-i*s,M=u*p-c*d,k=u*v-h*d,A=u*m-f*d,T=c*v-h*p,E=c*m-f*p,S=h*m-f*v;return g*S-y*E+b*T+x*A-_*k+w*M},i.SIMD.multiply=function(t,e,r){var n=SIMD.Float32x4.load(e,0),i=SIMD.Float32x4.load(e,4),o=SIMD.Float32x4.load(e,8),a=SIMD.Float32x4.load(e,12),s=SIMD.Float32x4.load(r,0),l=SIMD.Float32x4.add(SIMD.Float32x4.mul(SIMD.Float32x4.swizzle(s,0,0,0,0),n),SIMD.Float32x4.add(SIMD.Float32x4.mul(SIMD.Float32x4.swizzle(s,1,1,1,1),i),SIMD.Float32x4.add(SIMD.Float32x4.mul(SIMD.Float32x4.swizzle(s,2,2,2,2),o),SIMD.Float32x4.mul(SIMD.Float32x4.swizzle(s,3,3,3,3),a))));SIMD.Float32x4.store(t,0,l);var u=SIMD.Float32x4.load(r,4),c=SIMD.Float32x4.add(SIMD.Float32x4.mul(SIMD.Float32x4.swizzle(u,0,0,0,0),n),SIMD.Float32x4.add(SIMD.Float32x4.mul(SIMD.Float32x4.swizzle(u,1,1,1,1),i),SIMD.Float32x4.add(SIMD.Float32x4.mul(SIMD.Float32x4.swizzle(u,2,2,2,2),o),SIMD.Float32x4.mul(SIMD.Float32x4.swizzle(u,3,3,3,3),a))));SIMD.Float32x4.store(t,4,c);var h=SIMD.Float32x4.load(r,8),f=SIMD.Float32x4.add(SIMD.Float32x4.mul(SIMD.Float32x4.swizzle(h,0,0,0,0),n),SIMD.Float32x4.add(SIMD.Float32x4.mul(SIMD.Float32x4.swizzle(h,1,1,1,1),i),SIMD.Float32x4.add(SIMD.Float32x4.mul(SIMD.Float32x4.swizzle(h,2,2,2,2),o),SIMD.Float32x4.mul(SIMD.Float32x4.swizzle(h,3,3,3,3),a))));SIMD.Float32x4.store(t,8,f);var d=SIMD.Float32x4.load(r,12),p=SIMD.Float32x4.add(SIMD.Float32x4.mul(SIMD.Float32x4.swizzle(d,0,0,0,0),n),SIMD.Float32x4.add(SIMD.Float32x4.mul(SIMD.Float32x4.swizzle(d,1,1,1,1),i),SIMD.Float32x4.add(SIMD.Float32x4.mul(SIMD.Float32x4.swizzle(d,2,2,2,2),o),SIMD.Float32x4.mul(SIMD.Float32x4.swizzle(d,3,3,3,3),a))));return SIMD.Float32x4.store(t,12,p),t},i.scalar.multiply=function(t,e,r){var n=e[0],i=e[1],o=e[2],a=e[3],s=e[4],l=e[5],u=e[6],c=e[7],h=e[8],f=e[9],d=e[10],p=e[11],v=e[12],m=e[13],g=e[14],y=e[15],b=r[0],x=r[1],_=r[2],w=r[3];return t[0]=b*n+x*s+_*h+w*v,t[1]=b*i+x*l+_*f+w*m,t[2]=b*o+x*u+_*d+w*g,t[3]=b*a+x*c+_*p+w*y,b=r[4],x=r[5],_=r[6],w=r[7],t[4]=b*n+x*s+_*h+w*v,t[5]=b*i+x*l+_*f+w*m,t[6]=b*o+x*u+_*d+w*g,t[7]=b*a+x*c+_*p+w*y,b=r[8],x=r[9],_=r[10],w=r[11],t[8]=b*n+x*s+_*h+w*v,t[9]=b*i+x*l+_*f+w*m,t[10]=b*o+x*u+_*d+w*g,t[11]=b*a+x*c+_*p+w*y,b=r[12],x=r[13],_=r[14],w=r[15],t[12]=b*n+x*s+_*h+w*v,t[13]=b*i+x*l+_*f+w*m,t[14]=b*o+x*u+_*d+w*g,t[15]=b*a+x*c+_*p+w*y,t},i.multiply=n.USE_SIMD?i.SIMD.multiply:i.scalar.multiply,i.mul=i.multiply,i.scalar.translate=function(t,e,r){var n,i,o,a,s,l,u,c,h,f,d,p,v=r[0],m=r[1],g=r[2];return e===t?(t[12]=e[0]*v+e[4]*m+e[8]*g+e[12],t[13]=e[1]*v+e[5]*m+e[9]*g+e[13],t[14]=e[2]*v+e[6]*m+e[10]*g+e[14],t[15]=e[3]*v+e[7]*m+e[11]*g+e[15]):(n=e[0],i=e[1],o=e[2],a=e[3],s=e[4],l=e[5],u=e[6],c=e[7],h=e[8],f=e[9],d=e[10],p=e[11],t[0]=n,t[1]=i,t[2]=o,t[3]=a,t[4]=s,t[5]=l,t[6]=u,t[7]=c,t[8]=h,t[9]=f,t[10]=d,t[11]=p,t[12]=n*v+s*m+h*g+e[12],t[13]=i*v+l*m+f*g+e[13],t[14]=o*v+u*m+d*g+e[14],t[15]=a*v+c*m+p*g+e[15]),t},i.SIMD.translate=function(t,e,r){var n=SIMD.Float32x4.load(e,0),i=SIMD.Float32x4.load(e,4),o=SIMD.Float32x4.load(e,8),a=SIMD.Float32x4.load(e,12),s=SIMD.Float32x4(r[0],r[1],r[2],0);e!==t&&(t[0]=e[0],t[1]=e[1],t[2]=e[2],t[3]=e[3],t[4]=e[4],t[5]=e[5],t[6]=e[6],t[7]=e[7],t[8]=e[8],t[9]=e[9],t[10]=e[10],t[11]=e[11]),n=SIMD.Float32x4.mul(n,SIMD.Float32x4.swizzle(s,0,0,0,0)),i=SIMD.Float32x4.mul(i,SIMD.Float32x4.swizzle(s,1,1,1,1)),o=SIMD.Float32x4.mul(o,SIMD.Float32x4.swizzle(s,2,2,2,2));var l=SIMD.Float32x4.add(n,SIMD.Float32x4.add(i,SIMD.Float32x4.add(o,a)));return SIMD.Float32x4.store(t,12,l),t},i.translate=n.USE_SIMD?i.SIMD.translate:i.scalar.translate,i.scalar.scale=function(t,e,r){var n=r[0],i=r[1],o=r[2];return t[0]=e[0]*n,t[1]=e[1]*n,t[2]=e[2]*n,t[3]=e[3]*n,t[4]=e[4]*i,t[5]=e[5]*i,t[6]=e[6]*i,t[7]=e[7]*i,t[8]=e[8]*o,t[9]=e[9]*o,t[10]=e[10]*o,t[11]=e[11]*o,t[12]=e[12],t[13]=e[13],t[14]=e[14],t[15]=e[15],t},i.SIMD.scale=function(t,e,r){var n,i,o,a=SIMD.Float32x4(r[0],r[1],r[2],0);return n=SIMD.Float32x4.load(e,0),SIMD.Float32x4.store(t,0,SIMD.Float32x4.mul(n,SIMD.Float32x4.swizzle(a,0,0,0,0))),i=SIMD.Float32x4.load(e,4),SIMD.Float32x4.store(t,4,SIMD.Float32x4.mul(i,SIMD.Float32x4.swizzle(a,1,1,1,1))),o=SIMD.Float32x4.load(e,8),SIMD.Float32x4.store(t,8,SIMD.Float32x4.mul(o,SIMD.Float32x4.swizzle(a,2,2,2,2))),t[12]=e[12],t[13]=e[13],t[14]=e[14],t[15]=e[15],t},i.scale=n.USE_SIMD?i.SIMD.scale:i.scalar.scale,i.rotate=function(t,e,r,i){var o,a,s,l,u,c,h,f,d,p,v,m,g,y,b,x,_,w,M,k,A,T,E,S,L=i[0],z=i[1],I=i[2],P=Math.sqrt(L*L+z*z+I*I);return Math.abs(P)<n.EPSILON?null:(P=1/P,L*=P,z*=P,I*=P,o=Math.sin(r),a=Math.cos(r),s=1-a,l=e[0],u=e[1],c=e[2],h=e[3],f=e[4],d=e[5],p=e[6],v=e[7],m=e[8],g=e[9],y=e[10],b=e[11],x=L*L*s+a,_=z*L*s+I*o,w=I*L*s-z*o,M=L*z*s-I*o,k=z*z*s+a,A=I*z*s+L*o,T=L*I*s+z*o,E=z*I*s-L*o,S=I*I*s+a,t[0]=l*x+f*_+m*w,t[1]=u*x+d*_+g*w,t[2]=c*x+p*_+y*w,t[3]=h*x+v*_+b*w,t[4]=l*M+f*k+m*A,t[5]=u*M+d*k+g*A,t[6]=c*M+p*k+y*A,t[7]=h*M+v*k+b*A,t[8]=l*T+f*E+m*S,t[9]=u*T+d*E+g*S,t[10]=c*T+p*E+y*S,t[11]=h*T+v*E+b*S,e!==t&&(t[12]=e[12],t[13]=e[13],t[14]=e[14],t[15]=e[15]),t)},i.scalar.rotateX=function(t,e,r){var n=Math.sin(r),i=Math.cos(r),o=e[4],a=e[5],s=e[6],l=e[7],u=e[8],c=e[9],h=e[10],f=e[11];return e!==t&&(t[0]=e[0],t[1]=e[1],t[2]=e[2],t[3]=e[3],t[12]=e[12],t[13]=e[13],t[14]=e[14],t[15]=e[15]),t[4]=o*i+u*n,t[5]=a*i+c*n,t[6]=s*i+h*n,t[7]=l*i+f*n,t[8]=u*i-o*n,t[9]=c*i-a*n,t[10]=h*i-s*n,t[11]=f*i-l*n,t},i.SIMD.rotateX=function(t,e,r){var n=SIMD.Float32x4.splat(Math.sin(r)),i=SIMD.Float32x4.splat(Math.cos(r));e!==t&&(t[0]=e[0],t[1]=e[1],t[2]=e[2],t[3]=e[3],t[12]=e[12],t[13]=e[13],t[14]=e[14],t[15]=e[15]);var o=SIMD.Float32x4.load(e,4),a=SIMD.Float32x4.load(e,8);return SIMD.Float32x4.store(t,4,SIMD.Float32x4.add(SIMD.Float32x4.mul(o,i),SIMD.Float32x4.mul(a,n))),SIMD.Float32x4.store(t,8,SIMD.Float32x4.sub(SIMD.Float32x4.mul(a,i),SIMD.Float32x4.mul(o,n))),t},i.rotateX=n.USE_SIMD?i.SIMD.rotateX:i.scalar.rotateX,i.scalar.rotateY=function(t,e,r){var n=Math.sin(r),i=Math.cos(r),o=e[0],a=e[1],s=e[2],l=e[3],u=e[8],c=e[9],h=e[10],f=e[11];return e!==t&&(t[4]=e[4],t[5]=e[5],t[6]=e[6],t[7]=e[7],t[12]=e[12],t[13]=e[13],t[14]=e[14],t[15]=e[15]),t[0]=o*i-u*n,t[1]=a*i-c*n,t[2]=s*i-h*n,t[3]=l*i-f*n,t[8]=o*n+u*i,t[9]=a*n+c*i,t[10]=s*n+h*i,t[11]=l*n+f*i,t},i.SIMD.rotateY=function(t,e,r){var n=SIMD.Float32x4.splat(Math.sin(r)),i=SIMD.Float32x4.splat(Math.cos(r));e!==t&&(t[4]=e[4],t[5]=e[5],t[6]=e[6],t[7]=e[7],t[12]=e[12],t[13]=e[13],t[14]=e[14],t[15]=e[15]);var o=SIMD.Float32x4.load(e,0),a=SIMD.Float32x4.load(e,8);return SIMD.Float32x4.store(t,0,SIMD.Float32x4.sub(SIMD.Float32x4.mul(o,i),SIMD.Float32x4.mul(a,n))),SIMD.Float32x4.store(t,8,SIMD.Float32x4.add(SIMD.Float32x4.mul(o,n),SIMD.Float32x4.mul(a,i))),t},i.rotateY=n.USE_SIMD?i.SIMD.rotateY:i.scalar.rotateY,i.scalar.rotateZ=function(t,e,r){var n=Math.sin(r),i=Math.cos(r),o=e[0],a=e[1],s=e[2],l=e[3],u=e[4],c=e[5],h=e[6],f=e[7];return e!==t&&(t[8]=e[8],t[9]=e[9],t[10]=e[10],t[11]=e[11],t[12]=e[12],t[13]=e[13],t[14]=e[14],t[15]=e[15]),t[0]=o*i+u*n,t[1]=a*i+c*n,t[2]=s*i+h*n,t[3]=l*i+f*n,t[4]=u*i-o*n,t[5]=c*i-a*n,t[6]=h*i-s*n,t[7]=f*i-l*n,t},i.SIMD.rotateZ=function(t,e,r){var n=SIMD.Float32x4.splat(Math.sin(r)),i=SIMD.Float32x4.splat(Math.cos(r));e!==t&&(t[8]=e[8],t[9]=e[9],t[10]=e[10],t[11]=e[11],t[12]=e[12],t[13]=e[13],t[14]=e[14],t[15]=e[15]);var o=SIMD.Float32x4.load(e,0),a=SIMD.Float32x4.load(e,4);return SIMD.Float32x4.store(t,0,SIMD.Float32x4.add(SIMD.Float32x4.mul(o,i),SIMD.Float32x4.mul(a,n))),SIMD.Float32x4.store(t,4,SIMD.Float32x4.sub(SIMD.Float32x4.mul(a,i),SIMD.Float32x4.mul(o,n))),t},i.rotateZ=n.USE_SIMD?i.SIMD.rotateZ:i.scalar.rotateZ,i.fromTranslation=function(t,e){return t[0]=1,t[1]=0,t[2]=0,t[3]=0,t[4]=0,t[5]=1,t[6]=0,t[7]=0,t[8]=0,t[9]=0,t[10]=1,t[11]=0,t[12]=e[0],t[13]=e[1],t[14]=e[2],t[15]=1,t},i.fromScaling=function(t,e){return t[0]=e[0],t[1]=0,t[2]=0,t[3]=0,t[4]=0,t[5]=e[1],t[6]=0,t[7]=0,t[8]=0,t[9]=0,t[10]=e[2],t[11]=0,t[12]=0,t[13]=0,t[14]=0,t[15]=1,t},i.fromRotation=function(t,e,r){var i,o,a,s=r[0],l=r[1],u=r[2],c=Math.sqrt(s*s+l*l+u*u);return Math.abs(c)<n.EPSILON?null:(c=1/c,s*=c,l*=c,u*=c,i=Math.sin(e),o=Math.cos(e),a=1-o,t[0]=s*s*a+o,t[1]=l*s*a+u*i,t[2]=u*s*a-l*i,t[3]=0,t[4]=s*l*a-u*i,t[5]=l*l*a+o,t[6]=u*l*a+s*i,t[7]=0,t[8]=s*u*a+l*i,t[9]=l*u*a-s*i,t[10]=u*u*a+o,t[11]=0,t[12]=0,t[13]=0,t[14]=0,t[15]=1,t)},i.fromXRotation=function(t,e){var r=Math.sin(e),n=Math.cos(e);return t[0]=1,t[1]=0,t[2]=0,t[3]=0,t[4]=0,t[5]=n,t[6]=r,t[7]=0,t[8]=0,t[9]=-r,t[10]=n,t[11]=0,t[12]=0,t[13]=0,t[14]=0,t[15]=1,t},i.fromYRotation=function(t,e){var r=Math.sin(e),n=Math.cos(e);return t[0]=n,t[1]=0,t[2]=-r,t[3]=0,t[4]=0,t[5]=1,t[6]=0,t[7]=0,t[8]=r,t[9]=0,t[10]=n,t[11]=0,t[12]=0,t[13]=0,t[14]=0,t[15]=1,t},i.fromZRotation=function(t,e){var r=Math.sin(e),n=Math.cos(e);return t[0]=n,t[1]=r,t[2]=0,t[3]=0,t[4]=-r,t[5]=n,t[6]=0,t[7]=0,t[8]=0,t[9]=0,t[10]=1,t[11]=0,t[12]=0,t[13]=0,t[14]=0,t[15]=1,t},i.fromRotationTranslation=function(t,e,r){var n=e[0],i=e[1],o=e[2],a=e[3],s=n+n,l=i+i,u=o+o,c=n*s,h=n*l,f=n*u,d=i*l,p=i*u,v=o*u,m=a*s,g=a*l,y=a*u;return t[0]=1-(d+v),t[1]=h+y,t[2]=f-g,t[3]=0,t[4]=h-y,t[5]=1-(c+v),t[6]=p+m,t[7]=0,t[8]=f+g,t[9]=p-m,t[10]=1-(c+d),t[11]=0,t[12]=r[0],t[13]=r[1],t[14]=r[2],t[15]=1,t},i.getTranslation=function(t,e){return t[0]=e[12],t[1]=e[13],t[2]=e[14],t},i.getRotation=function(t,e){var r=e[0]+e[5]+e[10],n=0;return r>0?(n=2*Math.sqrt(r+1),t[3]=.25*n,t[0]=(e[6]-e[9])/n,t[1]=(e[8]-e[2])/n,t[2]=(e[1]-e[4])/n):e[0]>e[5]&e[0]>e[10]?(n=2*Math.sqrt(1+e[0]-e[5]-e[10]),t[3]=(e[6]-e[9])/n,t[0]=.25*n,t[1]=(e[1]+e[4])/n,t[2]=(e[8]+e[2])/n):e[5]>e[10]?(n=2*Math.sqrt(1+e[5]-e[0]-e[10]),t[3]=(e[8]-e[2])/n,t[0]=(e[1]+e[4])/n,t[1]=.25*n,t[2]=(e[6]+e[9])/n):(n=2*Math.sqrt(1+e[10]-e[0]-e[5]),t[3]=(e[1]-e[4])/n,t[0]=(e[8]+e[2])/n,t[1]=(e[6]+e[9])/n,t[2]=.25*n),t},i.fromRotationTranslationScale=function(t,e,r,n){var i=e[0],o=e[1],a=e[2],s=e[3],l=i+i,u=o+o,c=a+a,h=i*l,f=i*u,d=i*c,p=o*u,v=o*c,m=a*c,g=s*l,y=s*u,b=s*c,x=n[0],_=n[1],w=n[2];return t[0]=(1-(p+m))*x,t[1]=(f+b)*x,t[2]=(d-y)*x,t[3]=0,t[4]=(f-b)*_,t[5]=(1-(h+m))*_,t[6]=(v+g)*_,t[7]=0,t[8]=(d+y)*w,t[9]=(v-g)*w,t[10]=(1-(h+p))*w,t[11]=0,t[12]=r[0],t[13]=r[1],t[14]=r[2],t[15]=1,t},i.fromRotationTranslationScaleOrigin=function(t,e,r,n,i){var o=e[0],a=e[1],s=e[2],l=e[3],u=o+o,c=a+a,h=s+s,f=o*u,d=o*c,p=o*h,v=a*c,m=a*h,g=s*h,y=l*u,b=l*c,x=l*h,_=n[0],w=n[1],M=n[2],k=i[0],A=i[1],T=i[2];return t[0]=(1-(v+g))*_,t[1]=(d+x)*_,t[2]=(p-b)*_,t[3]=0,t[4]=(d-x)*w,t[5]=(1-(f+g))*w,t[6]=(m+y)*w,t[7]=0,t[8]=(p+b)*M,t[9]=(m-y)*M,t[10]=(1-(f+v))*M,t[11]=0,t[12]=r[0]+k-(t[0]*k+t[4]*A+t[8]*T),t[13]=r[1]+A-(t[1]*k+t[5]*A+t[9]*T),t[14]=r[2]+T-(t[2]*k+t[6]*A+t[10]*T),t[15]=1,t},i.fromQuat=function(t,e){var r=e[0],n=e[1],i=e[2],o=e[3],a=r+r,s=n+n,l=i+i,u=r*a,c=n*a,h=n*s,f=i*a,d=i*s,p=i*l,v=o*a,m=o*s,g=o*l;return t[0]=1-h-p,t[1]=c+g,t[2]=f-m,t[3]=0,t[4]=c-g,t[5]=1-u-p,t[6]=d+v,t[7]=0,t[8]=f+m,t[9]=d-v,t[10]=1-u-h,t[11]=0,t[12]=0,t[13]=0,t[14]=0,t[15]=1,t},i.frustum=function(t,e,r,n,i,o,a){var s=1/(r-e),l=1/(i-n),u=1/(o-a);return t[0]=2*o*s,t[1]=0,t[2]=0,t[3]=0,t[4]=0,t[5]=2*o*l,t[6]=0,t[7]=0,t[8]=(r+e)*s,t[9]=(i+n)*l,t[10]=(a+o)*u,t[11]=-1,t[12]=0,t[13]=0,t[14]=a*o*2*u,t[15]=0,t},i.perspective=function(t,e,r,n,i){var o=1/Math.tan(e/2),a=1/(n-i);return t[0]=o/r,t[1]=0,t[2]=0,t[3]=0,t[4]=0,t[5]=o,t[6]=0,t[7]=0,t[8]=0,t[9]=0,t[10]=(i+n)*a,t[11]=-1,t[12]=0,t[13]=0,t[14]=2*i*n*a,t[15]=0,t},i.perspectiveFromFieldOfView=function(t,e,r,n){var i=Math.tan(e.upDegrees*Math.PI/180),o=Math.tan(e.downDegrees*Math.PI/180),a=Math.tan(e.leftDegrees*Math.PI/180),s=Math.tan(e.rightDegrees*Math.PI/180),l=2/(a+s),u=2/(i+o);return t[0]=l,t[1]=0,t[2]=0,t[3]=0,t[4]=0,t[5]=u,t[6]=0,t[7]=0,t[8]=-((a-s)*l*.5),t[9]=(i-o)*u*.5,t[10]=n/(r-n),t[11]=-1,t[12]=0,t[13]=0,t[14]=n*r/(r-n),t[15]=0,t},i.ortho=function(t,e,r,n,i,o,a){var s=1/(e-r),l=1/(n-i),u=1/(o-a);return t[0]=-2*s,t[1]=0,t[2]=0,t[3]=0,t[4]=0,t[5]=-2*l,t[6]=0,t[7]=0,t[8]=0,t[9]=0,t[10]=2*u,t[11]=0,t[12]=(e+r)*s,t[13]=(i+n)*l,t[14]=(a+o)*u,t[15]=1,t},i.lookAt=function(t,e,r,o){var a,s,l,u,c,h,f,d,p,v,m=e[0],g=e[1],y=e[2],b=o[0],x=o[1],_=o[2],w=r[0],M=r[1],k=r[2];return Math.abs(m-w)<n.EPSILON&&Math.abs(g-M)<n.EPSILON&&Math.abs(y-k)<n.EPSILON?i.identity(t):(f=m-w,d=g-M,p=y-k,v=1/Math.sqrt(f*f+d*d+p*p),f*=v,d*=v,p*=v,a=x*p-_*d,s=_*f-b*p,l=b*d-x*f,v=Math.sqrt(a*a+s*s+l*l),v?(v=1/v,a*=v,s*=v,l*=v):(a=0,s=0,l=0),u=d*l-p*s,c=p*a-f*l,h=f*s-d*a,v=Math.sqrt(u*u+c*c+h*h),v?(v=1/v,u*=v,c*=v,h*=v):(u=0,c=0,h=0),t[0]=a,t[1]=u,t[2]=f,t[3]=0,t[4]=s,t[5]=c,t[6]=d,t[7]=0,t[8]=l,t[9]=h,t[10]=p,t[11]=0,t[12]=-(a*m+s*g+l*y),t[13]=-(u*m+c*g+h*y),t[14]=-(f*m+d*g+p*y),t[15]=1,t)},i.str=function(t){return\"mat4(\"+t[0]+\", \"+t[1]+\", \"+t[2]+\", \"+t[3]+\", \"+t[4]+\", \"+t[5]+\", \"+t[6]+\", \"+t[7]+\", \"+t[8]+\", \"+t[9]+\", \"+t[10]+\", \"+t[11]+\", \"+t[12]+\", \"+t[13]+\", \"+t[14]+\", \"+t[15]+\")\"},i.frob=function(t){return Math.sqrt(Math.pow(t[0],2)+Math.pow(t[1],2)+Math.pow(t[2],2)+Math.pow(t[3],2)+Math.pow(t[4],2)+Math.pow(t[5],2)+Math.pow(t[6],2)+Math.pow(t[7],2)+Math.pow(t[8],2)+Math.pow(t[9],2)+Math.pow(t[10],2)+Math.pow(t[11],2)+Math.pow(t[12],2)+Math.pow(t[13],2)+Math.pow(t[14],2)+Math.pow(t[15],2))},i.add=function(t,e,r){return t[0]=e[0]+r[0],t[1]=e[1]+r[1],t[2]=e[2]+r[2],t[3]=e[3]+r[3],t[4]=e[4]+r[4],t[5]=e[5]+r[5],t[6]=e[6]+r[6],t[7]=e[7]+r[7],t[8]=e[8]+r[8],t[9]=e[9]+r[9],t[10]=e[10]+r[10],t[11]=e[11]+r[11],t[12]=e[12]+r[12],t[13]=e[13]+r[13],t[14]=e[14]+r[14],t[15]=e[15]+r[15],t},i.subtract=function(t,e,r){return t[0]=e[0]-r[0],t[1]=e[1]-r[1],t[2]=e[2]-r[2],t[3]=e[3]-r[3],t[4]=e[4]-r[4],t[5]=e[5]-r[5],t[6]=e[6]-r[6],t[7]=e[7]-r[7],t[8]=e[8]-r[8],t[9]=e[9]-r[9],t[10]=e[10]-r[10],t[11]=e[11]-r[11],t[12]=e[12]-r[12],t[13]=e[13]-r[13],t[14]=e[14]-r[14],t[15]=e[15]-r[15],t},i.sub=i.subtract,i.multiplyScalar=function(t,e,r){return t[0]=e[0]*r,t[1]=e[1]*r,t[2]=e[2]*r,t[3]=e[3]*r,t[4]=e[4]*r,t[5]=e[5]*r,t[6]=e[6]*r,t[7]=e[7]*r,t[8]=e[8]*r,t[9]=e[9]*r,t[10]=e[10]*r,t[11]=e[11]*r,t[12]=e[12]*r,t[13]=e[13]*r,t[14]=e[14]*r,t[15]=e[15]*r,t},i.multiplyScalarAndAdd=function(t,e,r,n){return t[0]=e[0]+r[0]*n,t[1]=e[1]+r[1]*n,t[2]=e[2]+r[2]*n,t[3]=e[3]+r[3]*n,t[4]=e[4]+r[4]*n,t[5]=e[5]+r[5]*n,t[6]=e[6]+r[6]*n,t[7]=e[7]+r[7]*n,t[8]=e[8]+r[8]*n,t[9]=e[9]+r[9]*n,t[10]=e[10]+r[10]*n,t[11]=e[11]+r[11]*n,t[12]=e[12]+r[12]*n,t[13]=e[13]+r[13]*n,t[14]=e[14]+r[14]*n,t[15]=e[15]+r[15]*n,t},i.exactEquals=function(t,e){return t[0]===e[0]&&t[1]===e[1]&&t[2]===e[2]&&t[3]===e[3]&&t[4]===e[4]&&t[5]===e[5]&&t[6]===e[6]&&t[7]===e[7]&&t[8]===e[8]&&t[9]===e[9]&&t[10]===e[10]&&t[11]===e[11]&&t[12]===e[12]&&t[13]===e[13]&&t[14]===e[14]&&t[15]===e[15]},i.equals=function(t,e){var r=t[0],i=t[1],o=t[2],a=t[3],s=t[4],l=t[5],u=t[6],c=t[7],h=t[8],f=t[9],d=t[10],p=t[11],v=t[12],m=t[13],g=t[14],y=t[15],b=e[0],x=e[1],_=e[2],w=e[3],M=e[4],k=e[5],A=e[6],T=e[7],E=e[8],S=e[9],L=e[10],z=e[11],I=e[12],P=e[13],C=e[14],R=e[15];return Math.abs(r-b)<=n.EPSILON*Math.max(1,Math.abs(r),Math.abs(b))&&Math.abs(i-x)<=n.EPSILON*Math.max(1,Math.abs(i),Math.abs(x))&&Math.abs(o-_)<=n.EPSILON*Math.max(1,Math.abs(o),Math.abs(_))&&Math.abs(a-w)<=n.EPSILON*Math.max(1,Math.abs(a),Math.abs(w))&&Math.abs(s-M)<=n.EPSILON*Math.max(1,Math.abs(s),Math.abs(M))&&Math.abs(l-k)<=n.EPSILON*Math.max(1,Math.abs(l),Math.abs(k))&&Math.abs(u-A)<=n.EPSILON*Math.max(1,Math.abs(u),Math.abs(A))&&Math.abs(c-T)<=n.EPSILON*Math.max(1,Math.abs(c),Math.abs(T))&&Math.abs(h-E)<=n.EPSILON*Math.max(1,Math.abs(h),Math.abs(E))&&Math.abs(f-S)<=n.EPSILON*Math.max(1,Math.abs(f),Math.abs(S))&&Math.abs(d-L)<=n.EPSILON*Math.max(1,Math.abs(d),Math.abs(L))&&Math.abs(p-z)<=n.EPSILON*Math.max(1,Math.abs(p),Math.abs(z))&&Math.abs(v-I)<=n.EPSILON*Math.max(1,Math.abs(v),Math.abs(I))&&Math.abs(m-P)<=n.EPSILON*Math.max(1,Math.abs(m),Math.abs(P))&&Math.abs(g-C)<=n.EPSILON*Math.max(1,Math.abs(g),Math.abs(C))&&Math.abs(y-R)<=n.EPSILON*Math.max(1,Math.abs(y),Math.abs(R))},e.exports=i},{\"./common.js\":364}],369:[function(t,e,r){var n=t(\"./common.js\"),i=t(\"./mat3.js\"),o=t(\"./vec3.js\"),a=t(\"./vec4.js\"),s={};s.create=function(){var t=new n.ARRAY_TYPE(4);return t[0]=0,t[1]=0,t[2]=0,t[3]=1,t},s.rotationTo=function(){var t=o.create(),e=o.fromValues(1,0,0),r=o.fromValues(0,1,0);return function(n,i,a){var l=o.dot(i,a);return-.999999>l?(o.cross(t,e,i),o.length(t)<1e-6&&o.cross(t,r,i),o.normalize(t,t),s.setAxisAngle(n,t,Math.PI),n):l>.999999?(n[0]=0,n[1]=0,n[2]=0,n[3]=1,n):(o.cross(t,i,a),n[0]=t[0],n[1]=t[1],n[2]=t[2],n[3]=1+l,s.normalize(n,n))}}(),s.setAxes=function(){var t=i.create();return function(e,r,n,i){return t[0]=n[0],t[3]=n[1],t[6]=n[2],t[1]=i[0],t[4]=i[1],t[7]=i[2],t[2]=-r[0],t[5]=-r[1],t[8]=-r[2],s.normalize(e,s.fromMat3(e,t))}}(),s.clone=a.clone,s.fromValues=a.fromValues,s.copy=a.copy,s.set=a.set,s.identity=function(t){return t[0]=0,t[1]=0,t[2]=0,t[3]=1,t},s.setAxisAngle=function(t,e,r){r=.5*r;var n=Math.sin(r);return t[0]=n*e[0],t[1]=n*e[1],t[2]=n*e[2],t[3]=Math.cos(r),t},s.getAxisAngle=function(t,e){var r=2*Math.acos(e[3]),n=Math.sin(r/2);return 0!=n?(t[0]=e[0]/n,t[1]=e[1]/n,t[2]=e[2]/n):(t[0]=1,t[1]=0,t[2]=0),r},s.add=a.add,s.multiply=function(t,e,r){var n=e[0],i=e[1],o=e[2],a=e[3],s=r[0],l=r[1],u=r[2],c=r[3];return t[0]=n*c+a*s+i*u-o*l,t[1]=i*c+a*l+o*s-n*u,t[2]=o*c+a*u+n*l-i*s,t[3]=a*c-n*s-i*l-o*u,t},s.mul=s.multiply,s.scale=a.scale,s.rotateX=function(t,e,r){r*=.5;var n=e[0],i=e[1],o=e[2],a=e[3],s=Math.sin(r),l=Math.cos(r);return t[0]=n*l+a*s,t[1]=i*l+o*s,t[2]=o*l-i*s,t[3]=a*l-n*s,t},s.rotateY=function(t,e,r){r*=.5;var n=e[0],i=e[1],o=e[2],a=e[3],s=Math.sin(r),l=Math.cos(r);return t[0]=n*l-o*s,t[1]=i*l+a*s,t[2]=o*l+n*s,t[3]=a*l-i*s,t},s.rotateZ=function(t,e,r){r*=.5;var n=e[0],i=e[1],o=e[2],a=e[3],s=Math.sin(r),l=Math.cos(r);return t[0]=n*l+i*s,t[1]=i*l-n*s,t[2]=o*l+a*s,t[3]=a*l-o*s,t},s.calculateW=function(t,e){var r=e[0],n=e[1],i=e[2];return t[0]=r,t[1]=n,t[2]=i,t[3]=Math.sqrt(Math.abs(1-r*r-n*n-i*i)),t},s.dot=a.dot,s.lerp=a.lerp,s.slerp=function(t,e,r,n){var i,o,a,s,l,u=e[0],c=e[1],h=e[2],f=e[3],d=r[0],p=r[1],v=r[2],m=r[3];return o=u*d+c*p+h*v+f*m,0>o&&(o=-o,d=-d,p=-p,v=-v,m=-m),1-o>1e-6?(i=Math.acos(o),a=Math.sin(i),s=Math.sin((1-n)*i)/a,l=Math.sin(n*i)/a):(s=1-n,l=n),t[0]=s*u+l*d,t[1]=s*c+l*p,t[2]=s*h+l*v,t[3]=s*f+l*m,t},s.sqlerp=function(){var t=s.create(),e=s.create();return function(r,n,i,o,a,l){return s.slerp(t,n,a,l),s.slerp(e,i,o,l),s.slerp(r,t,e,2*l*(1-l)),r}}(),s.invert=function(t,e){var r=e[0],n=e[1],i=e[2],o=e[3],a=r*r+n*n+i*i+o*o,s=a?1/a:0;return t[0]=-r*s,t[1]=-n*s,t[2]=-i*s,t[3]=o*s,t},s.conjugate=function(t,e){return t[0]=-e[0],t[1]=-e[1],t[2]=-e[2],t[3]=e[3],t},s.length=a.length,s.len=s.length,s.squaredLength=a.squaredLength,s.sqrLen=s.squaredLength,s.normalize=a.normalize,s.fromMat3=function(t,e){var r,n=e[0]+e[4]+e[8];if(n>0)r=Math.sqrt(n+1),t[3]=.5*r,r=.5/r,t[0]=(e[5]-e[7])*r,t[1]=(e[6]-e[2])*r,t[2]=(e[1]-e[3])*r;else{var i=0;e[4]>e[0]&&(i=1),e[8]>e[3*i+i]&&(i=2);var o=(i+1)%3,a=(i+2)%3;r=Math.sqrt(e[3*i+i]-e[3*o+o]-e[3*a+a]+1),t[i]=.5*r,r=.5/r,t[3]=(e[3*o+a]-e[3*a+o])*r,t[o]=(e[3*o+i]+e[3*i+o])*r,t[a]=(e[3*a+i]+e[3*i+a])*r}return t},s.str=function(t){return\"quat(\"+t[0]+\", \"+t[1]+\", \"+t[2]+\", \"+t[3]+\")\"},s.exactEquals=a.exactEquals,s.equals=a.equals,e.exports=s},{\"./common.js\":364,\"./mat3.js\":367,\"./vec3.js\":371,\"./vec4.js\":372}],370:[function(t,e,r){var n=t(\"./common.js\"),i={};i.create=function(){var t=new n.ARRAY_TYPE(2);return t[0]=0,t[1]=0,t},i.clone=function(t){var e=new n.ARRAY_TYPE(2);return e[0]=t[0],e[1]=t[1],e},i.fromValues=function(t,e){var r=new n.ARRAY_TYPE(2);return r[0]=t,r[1]=e,r},i.copy=function(t,e){return t[0]=e[0],t[1]=e[1],t},i.set=function(t,e,r){return t[0]=e,t[1]=r,t},i.add=function(t,e,r){return t[0]=e[0]+r[0],t[1]=e[1]+r[1],t},i.subtract=function(t,e,r){return t[0]=e[0]-r[0],t[1]=e[1]-r[1],t},i.sub=i.subtract,i.multiply=function(t,e,r){return t[0]=e[0]*r[0],t[1]=e[1]*r[1],t},i.mul=i.multiply,i.divide=function(t,e,r){return t[0]=e[0]/r[0],t[1]=e[1]/r[1],t},i.div=i.divide,i.ceil=function(t,e){return t[0]=Math.ceil(e[0]),t[1]=Math.ceil(e[1]),t},i.floor=function(t,e){return t[0]=Math.floor(e[0]),t[1]=Math.floor(e[1]),t},i.min=function(t,e,r){return t[0]=Math.min(e[0],r[0]),t[1]=Math.min(e[1],r[1]),t},i.max=function(t,e,r){return t[0]=Math.max(e[0],r[0]),t[1]=Math.max(e[1],r[1]),t},i.round=function(t,e){return t[0]=Math.round(e[0]),t[1]=Math.round(e[1]),t},i.scale=function(t,e,r){return t[0]=e[0]*r,t[1]=e[1]*r,t},i.scaleAndAdd=function(t,e,r,n){return t[0]=e[0]+r[0]*n,t[1]=e[1]+r[1]*n,t},i.distance=function(t,e){var r=e[0]-t[0],n=e[1]-t[1];return Math.sqrt(r*r+n*n)},i.dist=i.distance,i.squaredDistance=function(t,e){var r=e[0]-t[0],n=e[1]-t[1];return r*r+n*n},i.sqrDist=i.squaredDistance,i.length=function(t){var e=t[0],r=t[1];return Math.sqrt(e*e+r*r)},i.len=i.length,i.squaredLength=function(t){var e=t[0],r=t[1];return e*e+r*r},i.sqrLen=i.squaredLength,i.negate=function(t,e){return t[0]=-e[0],t[1]=-e[1],t},i.inverse=function(t,e){return t[0]=1/e[0],t[1]=1/e[1],t},i.normalize=function(t,e){var r=e[0],n=e[1],i=r*r+n*n;return i>0&&(i=1/Math.sqrt(i),t[0]=e[0]*i,t[1]=e[1]*i),t},i.dot=function(t,e){return t[0]*e[0]+t[1]*e[1]},i.cross=function(t,e,r){var n=e[0]*r[1]-e[1]*r[0];return t[0]=t[1]=0,t[2]=n,t},i.lerp=function(t,e,r,n){var i=e[0],o=e[1];return t[0]=i+n*(r[0]-i),t[1]=o+n*(r[1]-o),t},i.random=function(t,e){e=e||1;var r=2*n.RANDOM()*Math.PI;return t[0]=Math.cos(r)*e,t[1]=Math.sin(r)*e,t},i.transformMat2=function(t,e,r){var n=e[0],i=e[1];return t[0]=r[0]*n+r[2]*i,t[1]=r[1]*n+r[3]*i,t},i.transformMat2d=function(t,e,r){var n=e[0],i=e[1];return t[0]=r[0]*n+r[2]*i+r[4],t[1]=r[1]*n+r[3]*i+r[5],t},i.transformMat3=function(t,e,r){var n=e[0],i=e[1];return t[0]=r[0]*n+r[3]*i+r[6],t[1]=r[1]*n+r[4]*i+r[7],t},i.transformMat4=function(t,e,r){var n=e[0],i=e[1];return t[0]=r[0]*n+r[4]*i+r[12],t[1]=r[1]*n+r[5]*i+r[13],t},i.forEach=function(){var t=i.create();return function(e,r,n,i,o,a){var s,l;for(r||(r=2),n||(n=0),l=i?Math.min(i*r+n,e.length):e.length,s=n;l>s;s+=r)t[0]=e[s],t[1]=e[s+1],o(t,t,a),e[s]=t[0],e[s+1]=t[1];return e}}(),i.str=function(t){return\"vec2(\"+t[0]+\", \"+t[1]+\")\"},i.exactEquals=function(t,e){return t[0]===e[0]&&t[1]===e[1]},i.equals=function(t,e){var r=t[0],i=t[1],o=e[0],a=e[1];return Math.abs(r-o)<=n.EPSILON*Math.max(1,Math.abs(r),Math.abs(o))&&Math.abs(i-a)<=n.EPSILON*Math.max(1,Math.abs(i),Math.abs(a))},e.exports=i},{\"./common.js\":364}],371:[function(t,e,r){var n=t(\"./common.js\"),i={};i.create=function(){var t=new n.ARRAY_TYPE(3);return t[0]=0,t[1]=0,t[2]=0,t},i.clone=function(t){var e=new n.ARRAY_TYPE(3);return e[0]=t[0],e[1]=t[1],e[2]=t[2],e},i.fromValues=function(t,e,r){var i=new n.ARRAY_TYPE(3);return i[0]=t,i[1]=e,i[2]=r,i},i.copy=function(t,e){return t[0]=e[0],t[1]=e[1],t[2]=e[2],t},i.set=function(t,e,r,n){return t[0]=e,t[1]=r,t[2]=n,t},i.add=function(t,e,r){return t[0]=e[0]+r[0],t[1]=e[1]+r[1],t[2]=e[2]+r[2],t},i.subtract=function(t,e,r){return t[0]=e[0]-r[0],t[1]=e[1]-r[1],t[2]=e[2]-r[2],t},i.sub=i.subtract,i.multiply=function(t,e,r){return t[0]=e[0]*r[0],t[1]=e[1]*r[1],t[2]=e[2]*r[2],t},i.mul=i.multiply,i.divide=function(t,e,r){return t[0]=e[0]/r[0],t[1]=e[1]/r[1],t[2]=e[2]/r[2],t},i.div=i.divide,i.ceil=function(t,e){return t[0]=Math.ceil(e[0]),t[1]=Math.ceil(e[1]),t[2]=Math.ceil(e[2]),t},i.floor=function(t,e){return t[0]=Math.floor(e[0]),t[1]=Math.floor(e[1]),t[2]=Math.floor(e[2]),t},i.min=function(t,e,r){return t[0]=Math.min(e[0],r[0]),t[1]=Math.min(e[1],r[1]),t[2]=Math.min(e[2],r[2]),t},i.max=function(t,e,r){return t[0]=Math.max(e[0],r[0]),t[1]=Math.max(e[1],r[1]),t[2]=Math.max(e[2],r[2]),t},i.round=function(t,e){return t[0]=Math.round(e[0]),t[1]=Math.round(e[1]),t[2]=Math.round(e[2]),t},i.scale=function(t,e,r){return t[0]=e[0]*r,t[1]=e[1]*r,t[2]=e[2]*r,t},i.scaleAndAdd=function(t,e,r,n){return t[0]=e[0]+r[0]*n,t[1]=e[1]+r[1]*n,t[2]=e[2]+r[2]*n,t},i.distance=function(t,e){var r=e[0]-t[0],n=e[1]-t[1],i=e[2]-t[2];return Math.sqrt(r*r+n*n+i*i)},i.dist=i.distance,i.squaredDistance=function(t,e){var r=e[0]-t[0],n=e[1]-t[1],i=e[2]-t[2];return r*r+n*n+i*i},i.sqrDist=i.squaredDistance,i.length=function(t){var e=t[0],r=t[1],n=t[2];return Math.sqrt(e*e+r*r+n*n)},i.len=i.length,i.squaredLength=function(t){var e=t[0],r=t[1],n=t[2];return e*e+r*r+n*n},i.sqrLen=i.squaredLength,i.negate=function(t,e){return t[0]=-e[0],t[1]=-e[1],t[2]=-e[2],t},i.inverse=function(t,e){return t[0]=1/e[0],t[1]=1/e[1],t[2]=1/e[2],t},i.normalize=function(t,e){var r=e[0],n=e[1],i=e[2],o=r*r+n*n+i*i;return o>0&&(o=1/Math.sqrt(o),t[0]=e[0]*o,t[1]=e[1]*o,t[2]=e[2]*o),t},i.dot=function(t,e){return t[0]*e[0]+t[1]*e[1]+t[2]*e[2]},i.cross=function(t,e,r){var n=e[0],i=e[1],o=e[2],a=r[0],s=r[1],l=r[2];return t[0]=i*l-o*s,t[1]=o*a-n*l,t[2]=n*s-i*a,t},i.lerp=function(t,e,r,n){var i=e[0],o=e[1],a=e[2];return t[0]=i+n*(r[0]-i),t[1]=o+n*(r[1]-o),t[2]=a+n*(r[2]-a),t},i.hermite=function(t,e,r,n,i,o){var a=o*o,s=a*(2*o-3)+1,l=a*(o-2)+o,u=a*(o-1),c=a*(3-2*o);return t[0]=e[0]*s+r[0]*l+n[0]*u+i[0]*c,t[1]=e[1]*s+r[1]*l+n[1]*u+i[1]*c,t[2]=e[2]*s+r[2]*l+n[2]*u+i[2]*c,t},i.bezier=function(t,e,r,n,i,o){var a=1-o,s=a*a,l=o*o,u=s*a,c=3*o*s,h=3*l*a,f=l*o;return t[0]=e[0]*u+r[0]*c+n[0]*h+i[0]*f,t[1]=e[1]*u+r[1]*c+n[1]*h+i[1]*f,t[2]=e[2]*u+r[2]*c+n[2]*h+i[2]*f,t},i.random=function(t,e){e=e||1;var r=2*n.RANDOM()*Math.PI,i=2*n.RANDOM()-1,o=Math.sqrt(1-i*i)*e;return t[0]=Math.cos(r)*o,t[1]=Math.sin(r)*o,t[2]=i*e,t},i.transformMat4=function(t,e,r){var n=e[0],i=e[1],o=e[2],a=r[3]*n+r[7]*i+r[11]*o+r[15];return a=a||1,t[0]=(r[0]*n+r[4]*i+r[8]*o+r[12])/a,t[1]=(r[1]*n+r[5]*i+r[9]*o+r[13])/a,t[2]=(r[2]*n+r[6]*i+r[10]*o+r[14])/a,t},i.transformMat3=function(t,e,r){var n=e[0],i=e[1],o=e[2];return t[0]=n*r[0]+i*r[3]+o*r[6],t[1]=n*r[1]+i*r[4]+o*r[7],t[2]=n*r[2]+i*r[5]+o*r[8],t},i.transformQuat=function(t,e,r){var n=e[0],i=e[1],o=e[2],a=r[0],s=r[1],l=r[2],u=r[3],c=u*n+s*o-l*i,h=u*i+l*n-a*o,f=u*o+a*i-s*n,d=-a*n-s*i-l*o;return t[0]=c*u+d*-a+h*-l-f*-s,t[1]=h*u+d*-s+f*-a-c*-l,t[2]=f*u+d*-l+c*-s-h*-a,t},i.rotateX=function(t,e,r,n){var i=[],o=[];return i[0]=e[0]-r[0],i[1]=e[1]-r[1],i[2]=e[2]-r[2],o[0]=i[0],o[1]=i[1]*Math.cos(n)-i[2]*Math.sin(n),o[2]=i[1]*Math.sin(n)+i[2]*Math.cos(n),t[0]=o[0]+r[0],t[1]=o[1]+r[1],t[2]=o[2]+r[2],t},i.rotateY=function(t,e,r,n){var i=[],o=[];return i[0]=e[0]-r[0],i[1]=e[1]-r[1],i[2]=e[2]-r[2],o[0]=i[2]*Math.sin(n)+i[0]*Math.cos(n),o[1]=i[1],o[2]=i[2]*Math.cos(n)-i[0]*Math.sin(n),t[0]=o[0]+r[0],t[1]=o[1]+r[1],t[2]=o[2]+r[2],t},i.rotateZ=function(t,e,r,n){var i=[],o=[];return i[0]=e[0]-r[0],i[1]=e[1]-r[1],i[2]=e[2]-r[2],o[0]=i[0]*Math.cos(n)-i[1]*Math.sin(n),o[1]=i[0]*Math.sin(n)+i[1]*Math.cos(n),o[2]=i[2],t[0]=o[0]+r[0],t[1]=o[1]+r[1],t[2]=o[2]+r[2],t},i.forEach=function(){var t=i.create();return function(e,r,n,i,o,a){var s,l;for(r||(r=3),n||(n=0),l=i?Math.min(i*r+n,e.length):e.length,s=n;l>s;s+=r)t[0]=e[s],t[1]=e[s+1],t[2]=e[s+2],o(t,t,a),e[s]=t[0],e[s+1]=t[1],e[s+2]=t[2];return e}}(),i.angle=function(t,e){var r=i.fromValues(t[0],t[1],t[2]),n=i.fromValues(e[0],e[1],e[2]);i.normalize(r,r),i.normalize(n,n);var o=i.dot(r,n);return o>1?0:Math.acos(o)},i.str=function(t){return\"vec3(\"+t[0]+\", \"+t[1]+\", \"+t[2]+\")\"},i.exactEquals=function(t,e){return t[0]===e[0]&&t[1]===e[1]&&t[2]===e[2]},i.equals=function(t,e){var r=t[0],i=t[1],o=t[2],a=e[0],s=e[1],l=e[2];return Math.abs(r-a)<=n.EPSILON*Math.max(1,Math.abs(r),Math.abs(a))&&Math.abs(i-s)<=n.EPSILON*Math.max(1,Math.abs(i),Math.abs(s))&&Math.abs(o-l)<=n.EPSILON*Math.max(1,Math.abs(o),Math.abs(l))},e.exports=i},{\"./common.js\":364}],372:[function(t,e,r){var n=t(\"./common.js\"),i={};i.create=function(){var t=new n.ARRAY_TYPE(4);return t[0]=0,t[1]=0,t[2]=0,t[3]=0,t},i.clone=function(t){var e=new n.ARRAY_TYPE(4);return e[0]=t[0],e[1]=t[1],e[2]=t[2],e[3]=t[3],e},i.fromValues=function(t,e,r,i){var o=new n.ARRAY_TYPE(4);return o[0]=t,o[1]=e,o[2]=r,o[3]=i,o},i.copy=function(t,e){return t[0]=e[0],t[1]=e[1],t[2]=e[2],t[3]=e[3],t},i.set=function(t,e,r,n,i){return t[0]=e,t[1]=r,t[2]=n,t[3]=i,t},i.add=function(t,e,r){return t[0]=e[0]+r[0],t[1]=e[1]+r[1],t[2]=e[2]+r[2],t[3]=e[3]+r[3],t},i.subtract=function(t,e,r){return t[0]=e[0]-r[0],t[1]=e[1]-r[1],t[2]=e[2]-r[2],t[3]=e[3]-r[3],t},i.sub=i.subtract,i.multiply=function(t,e,r){return t[0]=e[0]*r[0],\nt[1]=e[1]*r[1],t[2]=e[2]*r[2],t[3]=e[3]*r[3],t},i.mul=i.multiply,i.divide=function(t,e,r){return t[0]=e[0]/r[0],t[1]=e[1]/r[1],t[2]=e[2]/r[2],t[3]=e[3]/r[3],t},i.div=i.divide,i.ceil=function(t,e){return t[0]=Math.ceil(e[0]),t[1]=Math.ceil(e[1]),t[2]=Math.ceil(e[2]),t[3]=Math.ceil(e[3]),t},i.floor=function(t,e){return t[0]=Math.floor(e[0]),t[1]=Math.floor(e[1]),t[2]=Math.floor(e[2]),t[3]=Math.floor(e[3]),t},i.min=function(t,e,r){return t[0]=Math.min(e[0],r[0]),t[1]=Math.min(e[1],r[1]),t[2]=Math.min(e[2],r[2]),t[3]=Math.min(e[3],r[3]),t},i.max=function(t,e,r){return t[0]=Math.max(e[0],r[0]),t[1]=Math.max(e[1],r[1]),t[2]=Math.max(e[2],r[2]),t[3]=Math.max(e[3],r[3]),t},i.round=function(t,e){return t[0]=Math.round(e[0]),t[1]=Math.round(e[1]),t[2]=Math.round(e[2]),t[3]=Math.round(e[3]),t},i.scale=function(t,e,r){return t[0]=e[0]*r,t[1]=e[1]*r,t[2]=e[2]*r,t[3]=e[3]*r,t},i.scaleAndAdd=function(t,e,r,n){return t[0]=e[0]+r[0]*n,t[1]=e[1]+r[1]*n,t[2]=e[2]+r[2]*n,t[3]=e[3]+r[3]*n,t},i.distance=function(t,e){var r=e[0]-t[0],n=e[1]-t[1],i=e[2]-t[2],o=e[3]-t[3];return Math.sqrt(r*r+n*n+i*i+o*o)},i.dist=i.distance,i.squaredDistance=function(t,e){var r=e[0]-t[0],n=e[1]-t[1],i=e[2]-t[2],o=e[3]-t[3];return r*r+n*n+i*i+o*o},i.sqrDist=i.squaredDistance,i.length=function(t){var e=t[0],r=t[1],n=t[2],i=t[3];return Math.sqrt(e*e+r*r+n*n+i*i)},i.len=i.length,i.squaredLength=function(t){var e=t[0],r=t[1],n=t[2],i=t[3];return e*e+r*r+n*n+i*i},i.sqrLen=i.squaredLength,i.negate=function(t,e){return t[0]=-e[0],t[1]=-e[1],t[2]=-e[2],t[3]=-e[3],t},i.inverse=function(t,e){return t[0]=1/e[0],t[1]=1/e[1],t[2]=1/e[2],t[3]=1/e[3],t},i.normalize=function(t,e){var r=e[0],n=e[1],i=e[2],o=e[3],a=r*r+n*n+i*i+o*o;return a>0&&(a=1/Math.sqrt(a),t[0]=r*a,t[1]=n*a,t[2]=i*a,t[3]=o*a),t},i.dot=function(t,e){return t[0]*e[0]+t[1]*e[1]+t[2]*e[2]+t[3]*e[3]},i.lerp=function(t,e,r,n){var i=e[0],o=e[1],a=e[2],s=e[3];return t[0]=i+n*(r[0]-i),t[1]=o+n*(r[1]-o),t[2]=a+n*(r[2]-a),t[3]=s+n*(r[3]-s),t},i.random=function(t,e){return e=e||1,t[0]=n.RANDOM(),t[1]=n.RANDOM(),t[2]=n.RANDOM(),t[3]=n.RANDOM(),i.normalize(t,t),i.scale(t,t,e),t},i.transformMat4=function(t,e,r){var n=e[0],i=e[1],o=e[2],a=e[3];return t[0]=r[0]*n+r[4]*i+r[8]*o+r[12]*a,t[1]=r[1]*n+r[5]*i+r[9]*o+r[13]*a,t[2]=r[2]*n+r[6]*i+r[10]*o+r[14]*a,t[3]=r[3]*n+r[7]*i+r[11]*o+r[15]*a,t},i.transformQuat=function(t,e,r){var n=e[0],i=e[1],o=e[2],a=r[0],s=r[1],l=r[2],u=r[3],c=u*n+s*o-l*i,h=u*i+l*n-a*o,f=u*o+a*i-s*n,d=-a*n-s*i-l*o;return t[0]=c*u+d*-a+h*-l-f*-s,t[1]=h*u+d*-s+f*-a-c*-l,t[2]=f*u+d*-l+c*-s-h*-a,t[3]=e[3],t},i.forEach=function(){var t=i.create();return function(e,r,n,i,o,a){var s,l;for(r||(r=4),n||(n=0),l=i?Math.min(i*r+n,e.length):e.length,s=n;l>s;s+=r)t[0]=e[s],t[1]=e[s+1],t[2]=e[s+2],t[3]=e[s+3],o(t,t,a),e[s]=t[0],e[s+1]=t[1],e[s+2]=t[2],e[s+3]=t[3];return e}}(),i.str=function(t){return\"vec4(\"+t[0]+\", \"+t[1]+\", \"+t[2]+\", \"+t[3]+\")\"},i.exactEquals=function(t,e){return t[0]===e[0]&&t[1]===e[1]&&t[2]===e[2]&&t[3]===e[3]},i.equals=function(t,e){var r=t[0],i=t[1],o=t[2],a=t[3],s=e[0],l=e[1],u=e[2],c=e[3];return Math.abs(r-s)<=n.EPSILON*Math.max(1,Math.abs(r),Math.abs(s))&&Math.abs(i-l)<=n.EPSILON*Math.max(1,Math.abs(i),Math.abs(l))&&Math.abs(o-u)<=n.EPSILON*Math.max(1,Math.abs(o),Math.abs(u))&&Math.abs(a-c)<=n.EPSILON*Math.max(1,Math.abs(a),Math.abs(c))},e.exports=i},{\"./common.js\":364}],373:[function(t,e,r){\"use strict\";function n(t,e,r){var n=this.cells=[];if(t instanceof ArrayBuffer){this.arrayBuffer=t;var o=new Int32Array(this.arrayBuffer);t=o[0],e=o[1],r=o[2],this.d=e+2*r;for(var a=0;a<this.d*this.d;a++){var s=o[i+a],l=o[i+a+1];n.push(s===l?null:o.subarray(s,l))}var u=o[i+n.length],c=o[i+n.length+1];this.keys=o.subarray(u,c),this.bboxes=o.subarray(c),this.insert=this._insertReadonly}else{this.d=e+2*r;for(var h=0;h<this.d*this.d;h++)n.push([]);this.keys=[],this.bboxes=[]}this.n=e,this.extent=t,this.padding=r,this.scale=e/t,this.uid=0;var f=r/e*t;this.min=-f,this.max=t+f}e.exports=n;var i=3;n.prototype.insert=function(t,e,r,n,i){this._forEachCell(e,r,n,i,this._insertCell,this.uid++),this.keys.push(t),this.bboxes.push(e),this.bboxes.push(r),this.bboxes.push(n),this.bboxes.push(i)},n.prototype._insertReadonly=function(){throw\"Cannot insert into a GridIndex created from an ArrayBuffer.\"},n.prototype._insertCell=function(t,e,r,n,i,o){this.cells[i].push(o)},n.prototype.query=function(t,e,r,n){var i=this.min,o=this.max;if(i>=t&&i>=e&&r>=o&&n>=o)return this.keys.slice();var a=[],s={};return this._forEachCell(t,e,r,n,this._queryCell,a,s),a},n.prototype._queryCell=function(t,e,r,n,i,o,a){var s=this.cells[i];if(null!==s)for(var l=this.keys,u=this.bboxes,c=0;c<s.length;c++){var h=s[c];if(void 0===a[h]){var f=4*h;t<=u[f+2]&&e<=u[f+3]&&r>=u[f+0]&&n>=u[f+1]?(a[h]=!0,o.push(l[h])):a[h]=!1}}},n.prototype._forEachCell=function(t,e,r,n,i,o,a){for(var s=this._convertToCellCoord(t),l=this._convertToCellCoord(e),u=this._convertToCellCoord(r),c=this._convertToCellCoord(n),h=s;u>=h;h++)for(var f=l;c>=f;f++){var d=this.d*f+h;if(i.call(this,t,e,r,n,d,o,a))return}},n.prototype._convertToCellCoord=function(t){return Math.max(0,Math.min(this.d-1,Math.floor(t*this.scale)+this.padding))},n.prototype.toArrayBuffer=function(){if(this.arrayBuffer)return this.arrayBuffer;for(var t=this.cells,e=i+this.cells.length+1+1,r=0,n=0;n<this.cells.length;n++)r+=this.cells[n].length;var o=new Int32Array(e+r+this.keys.length+this.bboxes.length);o[0]=this.extent,o[1]=this.n,o[2]=this.padding;for(var a=e,s=0;s<t.length;s++){var l=t[s];o[i+s]=a,o.set(l,a),a+=l.length}return o[i+t.length]=a,o.set(this.keys,a),a+=this.keys.length,o[i+t.length+1]=a,o.set(this.bboxes,a),a+=this.bboxes.length,o.buffer}},{}],374:[function(t,e,r){\"use strict\";function n(t,e){var r;if(c(t)){var s,l=\"object\"==typeof t.stops[0][0],u=l||void 0!==t.property,h=l||!u,f=t.type||e||\"exponential\";if(\"exponential\"===f)s=a;else if(\"interval\"===f)s=o;else{if(\"categorical\"!==f)throw new Error('Unknown function type \"'+f+'\"');s=i}if(l){for(var d={},p=[],v=0;v<t.stops.length;v++){var m=t.stops[v];void 0===d[m[0].zoom]&&(d[m[0].zoom]={zoom:m[0].zoom,type:t.type,property:t.property,stops:[]}),d[m[0].zoom].stops.push([m[0].value,m[1]])}for(var g in d)p.push([d[g].zoom,n(d[g])]);r=function(e,r){return a({stops:p,base:t.base},e)(e,r)},r.isFeatureConstant=!1,r.isZoomConstant=!1}else h?(r=function(e){return s(t,e)},r.isFeatureConstant=!0,r.isZoomConstant=!1):(r=function(e,r){return s(t,r[t.property])},r.isFeatureConstant=!1,r.isZoomConstant=!0)}else r=function(){return t},r.isFeatureConstant=!0,r.isZoomConstant=!0;return r}function i(t,e){for(var r=0;r<t.stops.length;r++)if(e===t.stops[r][0])return t.stops[r][1];return t.stops[0][1]}function o(t,e){for(var r=0;r<t.stops.length&&!(e<t.stops[r][0]);r++);return t.stops[Math.max(r-1,0)][1]}function a(t,e){for(var r=void 0!==t.base?t.base:1,n=0;;){if(n>=t.stops.length)break;if(e<=t.stops[n][0])break;n++}return 0===n?t.stops[n][1]:n===t.stops.length?t.stops[n-1][1]:s(e,r,t.stops[n-1][0],t.stops[n][0],t.stops[n-1][1],t.stops[n][1])}function s(t,e,r,n,i,o){return\"function\"==typeof i?function(){var a=i.apply(void 0,arguments),l=o.apply(void 0,arguments);return s(t,e,r,n,a,l)}:i.length?u(t,e,r,n,i,o):l(t,e,r,n,i,o)}function l(t,e,r,n,i,o){var a,s=n-r,l=t-r;return a=1===e?l/s:(Math.pow(e,l)-1)/(Math.pow(e,s)-1),i*(1-a)+o*a}function u(t,e,r,n,i,o){for(var a=[],s=0;s<i.length;s++)a[s]=l(t,e,r,n,i[s],o[s]);return a}function c(t){return\"object\"==typeof t&&t.stops}e.exports.isFunctionDefinition=c,e.exports.interpolated=function(t){return n(t,\"exponential\")},e.exports[\"piecewise-constant\"]=function(t){return n(t,\"interval\")}},{}],375:[function(t,e,r){\"use strict\";function n(t){return!!(i()&&o()&&a()&&s()&&l()&&u()&&c(t&&t.failIfMajorPerformanceCaveat))}function i(){return\"undefined\"!=typeof window&&\"undefined\"!=typeof document}function o(){return Array.prototype&&Array.prototype.every&&Array.prototype.filter&&Array.prototype.forEach&&Array.prototype.indexOf&&Array.prototype.lastIndexOf&&Array.prototype.map&&Array.prototype.some&&Array.prototype.reduce&&Array.prototype.reduceRight&&Array.isArray}function a(){return Function.prototype&&Function.prototype.bind}function s(){return Object.keys&&Object.create&&Object.getPrototypeOf&&Object.getOwnPropertyNames&&Object.isSealed&&Object.isFrozen&&Object.isExtensible&&Object.getOwnPropertyDescriptor&&Object.defineProperty&&Object.defineProperties&&Object.seal&&Object.freeze&&Object.preventExtensions}function l(){return\"JSON\"in window&&\"parse\"in JSON&&\"stringify\"in JSON}function u(){return\"Worker\"in window}function c(t){return void 0===f[t]&&(f[t]=h(t)),f[t]}function h(t){var e=document.createElement(\"canvas\"),r=Object.create(n.webGLContextAttributes);return r.failIfMajorPerformanceCaveat=t,e.probablySupportsContext?e.probablySupportsContext(\"webgl\",r)||e.probablySupportsContext(\"experimental-webgl\",r):e.supportsContext?e.supportsContext(\"webgl\",r)||e.supportsContext(\"experimental-webgl\",r):e.getContext(\"webgl\",r)||e.getContext(\"experimental-webgl\",r)}\"undefined\"!=typeof e&&e.exports?e.exports=n:window&&(window.mapboxgl=window.mapboxgl||{},window.mapboxgl.supported=n);var f={};n.webGLContextAttributes={antialias:!1,alpha:!0,stencil:!0,depth:!0}},{}],376:[function(t,e,r){\"use strict\";function n(t,e){this.message=(t?t+\": \":\"\")+i.apply(i,Array.prototype.slice.call(arguments,2)),null!==e&&void 0!==e&&e.__line__&&(this.line=e.__line__)}var i=t(\"util\").format;e.exports=n},{util:62}],377:[function(t,e,r){\"use strict\";e.exports=function(t){for(var e=1;e<arguments.length;e++){var r=arguments[e];for(var n in r)t[n]=r[n]}return t}},{}],378:[function(t,e,r){\"use strict\";e.exports=function(t){return t instanceof Number?\"number\":t instanceof String?\"string\":t instanceof Boolean?\"boolean\":Array.isArray(t)?\"array\":null===t?\"null\":typeof t}},{}],379:[function(t,e,r){\"use strict\";e.exports=function(t){return t instanceof Number||t instanceof String||t instanceof Boolean?t.valueOf():t}},{}],380:[function(t,e,r){\"use strict\";var n=t(\"../error/validation_error\"),i=t(\"../util/get_type\"),o=t(\"../util/extend\");e.exports=function(e){var r=t(\"./validate_function\"),a=t(\"./validate_object\"),s={\"*\":function(){return[]},array:t(\"./validate_array\"),\"boolean\":t(\"./validate_boolean\"),number:t(\"./validate_number\"),color:t(\"./validate_color\"),constants:t(\"./validate_constants\"),\"enum\":t(\"./validate_enum\"),filter:t(\"./validate_filter\"),\"function\":t(\"./validate_function\"),layer:t(\"./validate_layer\"),object:t(\"./validate_object\"),source:t(\"./validate_source\"),string:t(\"./validate_string\")},l=e.value,u=e.valueSpec,c=e.key,h=e.styleSpec,f=e.style;if(\"string\"===i(l)&&\"@\"===l[0]){if(h.$version>7)return[new n(c,l,\"constants have been deprecated as of v8\")];if(!(l in f.constants))return[new n(c,l,'constant \"%s\" not found',l)];e=o({},e,{value:f.constants[l]})}return u.function&&\"object\"===i(l)?r(e):u.type&&s[u.type]?s[u.type](e):a(o({},e,{valueSpec:u.type?h[u.type]:u}))}},{\"../error/validation_error\":376,\"../util/extend\":377,\"../util/get_type\":378,\"./validate_array\":381,\"./validate_boolean\":382,\"./validate_color\":383,\"./validate_constants\":384,\"./validate_enum\":385,\"./validate_filter\":386,\"./validate_function\":387,\"./validate_layer\":389,\"./validate_number\":391,\"./validate_object\":392,\"./validate_source\":394,\"./validate_string\":395}],381:[function(t,e,r){\"use strict\";var n=t(\"../util/get_type\"),i=t(\"./validate\"),o=t(\"../error/validation_error\");e.exports=function(t){var e=t.value,r=t.valueSpec,a=t.style,s=t.styleSpec,l=t.key,u=t.arrayElementValidator||i;if(\"array\"!==n(e))return[new o(l,e,\"array expected, %s found\",n(e))];if(r.length&&e.length!==r.length)return[new o(l,e,\"array length %d expected, length %d found\",r.length,e.length)];if(r[\"min-length\"]&&e.length<r[\"min-length\"])return[new o(l,e,\"array length at least %d expected, length %d found\",r[\"min-length\"],e.length)];var c={type:r.value};s.$version<7&&(c.function=r.function),\"object\"===n(r.value)&&(c=r.value);for(var h=[],f=0;f<e.length;f++)h=h.concat(u({array:e,arrayIndex:f,value:e[f],valueSpec:c,style:a,styleSpec:s,key:l+\"[\"+f+\"]\"}));return h}},{\"../error/validation_error\":376,\"../util/get_type\":378,\"./validate\":380}],382:[function(t,e,r){\"use strict\";var n=t(\"../util/get_type\"),i=t(\"../error/validation_error\");e.exports=function(t){var e=t.value,r=t.key,o=n(e);return\"boolean\"!==o?[new i(r,e,\"boolean expected, %s found\",o)]:[]}},{\"../error/validation_error\":376,\"../util/get_type\":378}],383:[function(t,e,r){\"use strict\";var n=t(\"../error/validation_error\"),i=t(\"../util/get_type\"),o=t(\"csscolorparser\").parseCSSColor;e.exports=function(t){var e=t.key,r=t.value,a=i(r);return\"string\"!==a?[new n(e,r,\"color expected, %s found\",a)]:null===o(r)?[new n(e,r,'color expected, \"%s\" found',r)]:[]}},{\"../error/validation_error\":376,\"../util/get_type\":378,csscolorparser:351}],384:[function(t,e,r){\"use strict\";var n=t(\"../error/validation_error\"),i=t(\"../util/get_type\");e.exports=function(t){var e=t.key,r=t.value,o=t.styleSpec;if(o.$version>7)return r?[new n(e,r,\"constants have been deprecated as of v8\")]:[];var a=i(r);if(\"object\"!==a)return[new n(e,r,\"object expected, %s found\",a)];var s=[];for(var l in r)\"@\"!==l[0]&&s.push(new n(e+\".\"+l,r[l],'constants must start with \"@\"'));return s}},{\"../error/validation_error\":376,\"../util/get_type\":378}],385:[function(t,e,r){\"use strict\";var n=t(\"../error/validation_error\"),i=t(\"../util/unbundle_jsonlint\");e.exports=function(t){var e=t.key,r=t.value,o=t.valueSpec,a=[];return-1===o.values.indexOf(i(r))&&a.push(new n(e,r,\"expected one of [%s], %s found\",o.values.join(\", \"),r)),a}},{\"../error/validation_error\":376,\"../util/unbundle_jsonlint\":379}],386:[function(t,e,r){\"use strict\";var n=t(\"../error/validation_error\"),i=t(\"./validate_enum\"),o=t(\"../util/get_type\"),a=t(\"../util/unbundle_jsonlint\");e.exports=function s(t){var e,r=t.value,l=t.key,u=t.styleSpec,c=[];if(\"array\"!==o(r))return[new n(l,r,\"array expected, %s found\",o(r))];if(r.length<1)return[new n(l,r,\"filter array must have at least 1 element\")];switch(c=c.concat(i({key:l+\"[0]\",value:r[0],valueSpec:u.filter_operator,style:t.style,styleSpec:t.styleSpec})),a(r[0])){case\"<\":case\"<=\":case\">\":case\">=\":r.length>=2&&\"$type\"==r[1]&&c.push(new n(l,r,'\"$type\" cannot be use with operator \"%s\"',r[0]));case\"==\":case\"!=\":3!=r.length&&c.push(new n(l,r,'filter array for operator \"%s\" must have 3 elements',r[0]));case\"in\":case\"!in\":r.length>=2&&(e=o(r[1]),\"string\"!==e?c.push(new n(l+\"[1]\",r[1],\"string expected, %s found\",e)):\"@\"===r[1][0]&&c.push(new n(l+\"[1]\",r[1],\"filter key cannot be a constant\")));for(var h=2;h<r.length;h++)e=o(r[h]),\"$type\"==r[1]?c=c.concat(i({key:l+\"[\"+h+\"]\",value:r[h],valueSpec:u.geometry_type,style:t.style,styleSpec:t.styleSpec})):\"string\"===e&&\"@\"===r[h][0]?c.push(new n(l+\"[\"+h+\"]\",r[h],\"filter value cannot be a constant\")):\"string\"!==e&&\"number\"!==e&&\"boolean\"!==e&&c.push(new n(l+\"[\"+h+\"]\",r[h],\"string, number, or boolean expected, %s found\",e));break;case\"any\":case\"all\":case\"none\":for(h=1;h<r.length;h++)c=c.concat(s({key:l+\"[\"+h+\"]\",value:r[h],style:t.style,styleSpec:t.styleSpec}));break;case\"has\":case\"!has\":e=o(r[1]),2!==r.length?c.push(new n(l,r,'filter array for \"%s\" operator must have 2 elements',r[0])):\"string\"!==e?c.push(new n(l+\"[1]\",r[1],\"string expected, %s found\",e)):\"@\"===r[1][0]&&c.push(new n(l+\"[1]\",r[1],\"filter key cannot be a constant\"))}return c}},{\"../error/validation_error\":376,\"../util/get_type\":378,\"../util/unbundle_jsonlint\":379,\"./validate_enum\":385}],387:[function(t,e,r){\"use strict\";var n=t(\"../error/validation_error\"),i=t(\"../util/get_type\"),o=t(\"./validate\"),a=t(\"./validate_object\"),s=t(\"./validate_array\"),l=t(\"./validate_number\");e.exports=function(t){function e(t){var e=[],o=t.value;return e=e.concat(s({key:t.key,value:o,valueSpec:t.valueSpec,style:t.style,styleSpec:t.styleSpec,arrayElementValidator:r})),\"array\"===i(o)&&0===o.length&&e.push(new n(t.key,o,\"array must have at least one stop\")),e}function r(t){var e=[],r=t.value,s=t.key;if(\"array\"!==i(r))return[new n(s,r,\"array expected, %s found\",i(r))];if(2!==r.length)return[new n(s,r,\"array length %d expected, length %d found\",2,r.length)];var d=i(r[0]);if(c||(c=d),d!==c)return[new n(s,r,\"%s stop key type must match previous stop key type %s\",d,c)];if(\"object\"===d){if(void 0===r[0].zoom)return[new n(s,r,\"object stop key must have zoom\")];if(void 0===r[0].value)return[new n(s,r,\"object stop key must have value\")];e=e.concat(a({key:s+\"[0]\",value:r[0],valueSpec:{zoom:{}},style:t.style,styleSpec:t.styleSpec,objectElementValidators:{zoom:l,value:u}}))}else{var p=!f.property;e=e.concat((p?l:u)({key:s+\"[0]\",value:r[0],valueSpec:{},style:t.style,styleSpec:t.styleSpec}))}return e=e.concat(o({key:s+\"[1]\",value:r[1],valueSpec:h,style:t.style,styleSpec:t.styleSpec})),\"number\"===i(r[0])&&(\"piecewise-constant\"===h.function&&r[0]%1!==0&&e.push(new n(s+\"[0]\",r[0],\"zoom level for piecewise-constant functions must be an integer\")),0!==t.arrayIndex&&r[0]<t.array[t.arrayIndex-1][0]&&e.push(new n(s+\"[0]\",r[0],\"array stops must appear in ascending order\"))),e}function u(t){var e=[],r=i(t.value);return\"number\"!==r&&\"string\"!==r&&\"array\"!==r&&e.push(new n(t.key,t.value,\"property value must be a number, string or array\")),e}var c,h=t.valueSpec,f=t.value;return a({key:t.key,value:t.value,valueSpec:t.styleSpec.function,style:t.style,styleSpec:t.styleSpec,objectElementValidators:{stops:e}})}},{\"../error/validation_error\":376,\"../util/get_type\":378,\"./validate\":380,\"./validate_array\":381,\"./validate_number\":391,\"./validate_object\":392}],388:[function(t,e,r){\"use strict\";var n=t(\"../error/validation_error\"),i=t(\"./validate_string\");e.exports=function(t){var e=t.value,r=t.key,o=i(t);return o.length?o:(-1===e.indexOf(\"{fontstack}\")&&o.push(new n(r,e,'\"glyphs\" url must include a \"{fontstack}\" token')),-1===e.indexOf(\"{range}\")&&o.push(new n(r,e,'\"glyphs\" url must include a \"{range}\" token')),o)}},{\"../error/validation_error\":376,\"./validate_string\":395}],389:[function(t,e,r){\"use strict\";var n=t(\"../error/validation_error\"),i=t(\"../util/unbundle_jsonlint\"),o=t(\"./validate_object\"),a=t(\"./validate_filter\"),s=t(\"./validate_paint_property\"),l=t(\"./validate_layout_property\"),u=t(\"../util/extend\");e.exports=function(t){var e=[],r=t.value,c=t.key,h=t.style,f=t.styleSpec;r.type||r.ref||e.push(new n(c,r,'either \"type\" or \"ref\" is required'));var d=i(r.type),p=i(r.ref);if(r.id)for(var v=0;v<t.arrayIndex;v++){var m=h.layers[v];i(m.id)===i(r.id)&&e.push(new n(c,r.id,'duplicate layer id \"%s\", previously used at line %d',r.id,m.id.__line__))}if(\"ref\"in r){[\"type\",\"source\",\"source-layer\",\"filter\",\"layout\"].forEach(function(t){t in r&&e.push(new n(c,r[t],'\"%s\" is prohibited for ref layers',t))});var g;h.layers.forEach(function(t){t.id==p&&(g=t)}),g?g.ref?e.push(new n(c,r.ref,\"ref cannot reference another ref layer\")):d=i(g.type):e.push(new n(c,r.ref,'ref layer \"%s\" not found',p))}else if(\"background\"!==d)if(r.source){var y=h.sources[r.source];y?\"vector\"==y.type&&\"raster\"==d?e.push(new n(c,r.source,'layer \"%s\" requires a raster source',r.id)):\"raster\"==y.type&&\"raster\"!=d?e.push(new n(c,r.source,'layer \"%s\" requires a vector source',r.id)):\"vector\"!=y.type||r[\"source-layer\"]||e.push(new n(c,r,'layer \"%s\" must specify a \"source-layer\"',r.id)):e.push(new n(c,r.source,'source \"%s\" not found',r.source))}else e.push(new n(c,r,'missing required property \"source\"'));return e=e.concat(o({key:c,value:r,valueSpec:f.layer,style:t.style,styleSpec:t.styleSpec,objectElementValidators:{filter:a,layout:function(t){return o({layer:r,key:t.key,value:t.value,style:t.style,styleSpec:t.styleSpec,objectElementValidators:{\"*\":function(t){return l(u({layerType:d},t))}}})},paint:function(t){return o({layer:r,key:t.key,value:t.value,style:t.style,styleSpec:t.styleSpec,objectElementValidators:{\"*\":function(t){return s(u({layerType:d},t))}}})}}}))}},{\"../error/validation_error\":376,\"../util/extend\":377,\"../util/unbundle_jsonlint\":379,\"./validate_filter\":386,\"./validate_layout_property\":390,\"./validate_object\":392,\"./validate_paint_property\":393}],390:[function(t,e,r){\"use strict\";var n=t(\"./validate\"),i=t(\"../error/validation_error\");e.exports=function(t){var e=t.key,r=t.style,o=t.styleSpec,a=t.value,s=t.objectKey,l=o[\"layout_\"+t.layerType];if(t.valueSpec||l[s]){var u=[];return\"symbol\"===t.layerType&&(\"icon-image\"===s&&r&&!r.sprite?u.push(new i(e,a,'use of \"icon-image\" requires a style \"sprite\" property')):\"text-field\"===s&&r&&!r.glyphs&&u.push(new i(e,a,'use of \"text-field\" requires a style \"glyphs\" property'))),u.concat(n({key:t.key,value:a,valueSpec:t.valueSpec||l[s],style:r,styleSpec:o}))}return[new i(e,a,'unknown property \"%s\"',s)]}},{\"../error/validation_error\":376,\"./validate\":380}],391:[function(t,e,r){\"use strict\";var n=t(\"../util/get_type\"),i=t(\"../error/validation_error\");e.exports=function(t){var e=t.key,r=t.value,o=t.valueSpec,a=n(r);return\"number\"!==a?[new i(e,r,\"number expected, %s found\",a)]:\"minimum\"in o&&r<o.minimum?[new i(e,r,\"%s is less than the minimum value %s\",r,o.minimum)]:\"maximum\"in o&&r>o.maximum?[new i(e,r,\"%s is greater than the maximum value %s\",r,o.maximum)]:[]}},{\"../error/validation_error\":376,\"../util/get_type\":378}],392:[function(t,e,r){\"use strict\";var n=t(\"../error/validation_error\"),i=t(\"../util/get_type\"),o=t(\"./validate\");e.exports=function(t){var e=t.key,r=t.value,a=t.valueSpec,s=t.objectElementValidators||{},l=t.style,u=t.styleSpec,c=[],h=i(r);if(\"object\"!==h)return[new n(e,r,\"object expected, %s found\",h)];for(var f in r){var d=f.split(\".\")[0],p=a&&(a[d]||a[\"*\"]),v=s[d]||s[\"*\"];p||v?c=c.concat((v||o)({key:(e?e+\".\":e)+f,value:r[f],valueSpec:p,style:l,styleSpec:u,object:r,objectKey:f})):\"\"!==e&&1!==e.split(\".\").length&&c.push(new n(e,r[f],'unknown property \"%s\"',f))}for(d in a)a[d].required&&void 0===a[d].default&&void 0===r[d]&&c.push(new n(e,r,'missing required property \"%s\"',d));return c}},{\"../error/validation_error\":376,\"../util/get_type\":378,\"./validate\":380}],393:[function(t,e,r){\"use strict\";var n=t(\"./validate\"),i=t(\"../error/validation_error\");e.exports=function(t){var e=t.key,r=t.style,o=t.styleSpec,a=t.value,s=t.objectKey,l=o[\"paint_\"+t.layerType],u=s.match(/^(.*)-transition$/);return u&&l[u[1]]&&l[u[1]].transition?n({key:e,value:a,valueSpec:o.transition,style:r,styleSpec:o}):t.valueSpec||l[s]?n({key:t.key,value:a,valueSpec:t.valueSpec||l[s],style:r,styleSpec:o}):[new i(e,a,'unknown property \"%s\"',s)]}},{\"../error/validation_error\":376,\"./validate\":380}],394:[function(t,e,r){\"use strict\";var n=t(\"../error/validation_error\"),i=t(\"../util/unbundle_jsonlint\"),o=t(\"./validate_object\"),a=t(\"./validate_enum\");e.exports=function(t){var e=t.value,r=t.key,s=t.styleSpec,l=t.style;if(!e.type)return[new n(r,e,'\"type\" is required')];var u=i(e.type);switch(u){case\"vector\":case\"raster\":var c=[];if(c=c.concat(o({key:r,value:e,valueSpec:s.source_tile,style:t.style,styleSpec:s})),\"url\"in e)for(var h in e)[\"type\",\"url\",\"tileSize\"].indexOf(h)<0&&c.push(new n(r+\".\"+h,e[h],'a source with a \"url\" property may not include a \"%s\" property',h));return c;case\"geojson\":return o({key:r,value:e,valueSpec:s.source_geojson,style:l,styleSpec:s});case\"video\":return o({key:r,value:e,valueSpec:s.source_video,style:l,styleSpec:s});case\"image\":return o({key:r,value:e,valueSpec:s.source_image,style:l,styleSpec:s});default:return a({key:r+\".type\",value:e.type,valueSpec:{values:[\"vector\",\"raster\",\"geojson\",\"video\",\"image\"]},style:l,styleSpec:s})}}},{\"../error/validation_error\":376,\"../util/unbundle_jsonlint\":379,\"./validate_enum\":385,\"./validate_object\":392}],395:[function(t,e,r){\"use strict\";var n=t(\"../util/get_type\"),i=t(\"../error/validation_error\");e.exports=function(t){var e=t.value,r=t.key,o=n(e);return\"string\"!==o?[new i(r,e,\"string expected, %s found\",o)]:[]}},{\"../error/validation_error\":376,\"../util/get_type\":378}],396:[function(t,e,r){\"use strict\";function n(t,e){e=e||l;var r=[];return r=r.concat(s({key:\"\",value:t,valueSpec:e.$root,styleSpec:e,style:t,objectElementValidators:{glyphs:u}})),e.$version>7&&t.constants&&(r=r.concat(a({key:\"constants\",value:t.constants,style:t,styleSpec:e}))),i(r)}function i(t){return[].concat(t).sort(function(t,e){return t.line-e.line})}function o(t){return function(){return i(t.apply(this,arguments))}}var a=t(\"./validate/validate_constants\"),s=t(\"./validate/validate\"),l=t(\"../reference/latest.min\"),u=t(\"./validate/validate_glyphs_url\");n.source=o(t(\"./validate/validate_source\")),n.layer=o(t(\"./validate/validate_layer\")),n.filter=o(t(\"./validate/validate_filter\")),n.paintProperty=o(t(\"./validate/validate_paint_property\")),n.layoutProperty=o(t(\"./validate/validate_layout_property\")),e.exports=n},{\"../reference/latest.min\":398,\"./validate/validate\":380,\"./validate/validate_constants\":384,\"./validate/validate_filter\":386,\"./validate/validate_glyphs_url\":388,\"./validate/validate_layer\":389,\"./validate/validate_layout_property\":390,\"./validate/validate_paint_property\":393,\"./validate/validate_source\":394}],397:[function(t,e,r){e.exports=t(\"./v8.json\")},{\"./v8.json\":399}],398:[function(t,e,r){e.exports=t(\"./v8.min.json\")},{\"./v8.min.json\":400}],399:[function(t,e,r){e.exports={$version:8,$root:{version:{required:!0,type:\"enum\",values:[8],doc:\"Stylesheet version number. Must be 8.\",example:8},name:{type:\"string\",doc:\"A human-readable name for the style.\",example:\"Bright\"},metadata:{type:\"*\",doc:\"Arbitrary properties useful to track with the stylesheet, but do not influence rendering. Properties should be prefixed to avoid collisions, like 'mapbox:'.\"},center:{type:\"array\",value:\"number\",doc:\"Default map center in longitude and latitude.  The style center will be used only if the map has not been positioned by other means (e.g. map options or user interaction).\",example:[-73.9749,40.7736]},zoom:{type:\"number\",doc:\"Default zoom level.  The style zoom will be used only if the map has not been positioned by other means (e.g. map options or user interaction).\",example:12.5},bearing:{type:\"number\",\"default\":0,period:360,units:\"degrees\",doc:\"Default bearing, in degrees.  The style bearing will be used only if the map has not been positioned by other means (e.g. map options or user interaction).\",example:29},pitch:{type:\"number\",\"default\":0,units:\"degrees\",doc:\"Default pitch, in degrees. Zero is perpendicular to the surface.  The style pitch will be used only if the map has not been positioned by other means (e.g. map options or user interaction).\",example:50},sources:{required:!0,type:\"sources\",doc:\"Data source specifications.\",example:{\"mapbox-streets\":{type:\"vector\",url:\"mapbox://mapbox.mapbox-streets-v6\"}}},sprite:{type:\"string\",doc:\"A base URL for retrieving the sprite image and metadata. The extensions `.png`, `.json` and scale factor `@2x.png` will be automatically appended. This property is required if any layer uses the 'sprite-image' layout property.\",example:\"mapbox://sprites/mapbox/bright-v8\"},glyphs:{type:\"string\",doc:\"A URL template for loading signed-distance-field glyph sets in PBF format. The URL must include `{fontstack}` and `{range}` tokens. This property is required if any layer uses the 'text-field' layout property.\",example:\"mapbox://fonts/mapbox/{fontstack}/{range}.pbf\"},transition:{type:\"transition\",doc:\"A global transition definition to use as a default across properties.\",example:{duration:300,delay:0}},layers:{required:!0,type:\"array\",value:\"layer\",doc:\"Layers will be drawn in the order of this array.\",example:[{id:\"water\",source:\"mapbox-streets\",\"source-layer\":\"water\",type:\"fill\",paint:{\"fill-color\":\"#00ffff\"}}]}},sources:{\"*\":{type:\"source\",doc:\"Specification of a data source. For vector and raster sources, either TileJSON or a URL to a TileJSON must be provided. For GeoJSON and video sources, a URL must be provided.\"}},source:[\"source_tile\",\"source_geojson\",\"source_video\",\"source_image\"],source_tile:{type:{required:!0,type:\"enum\",values:[\"vector\",\"raster\"],doc:\"The data type of the tile source.\"},url:{type:\"string\",doc:\"A URL to a TileJSON resource. Supported protocols are `http:`, `https:`, and `mapbox://<mapid>`.\"},tiles:{type:\"array\",value:\"string\",doc:\"An array of one or more tile source URLs, as in the TileJSON spec.\"},minzoom:{type:\"number\",\"default\":0,doc:\"Minimum zoom level for which tiles are available, as in the TileJSON spec.\"},maxzoom:{type:\"number\",\"default\":22,doc:\"Maximum zoom level for which tiles are available, as in the TileJSON spec. Data from tiles at the maxzoom are used when displaying the map at higher zoom levels.\"},tileSize:{type:\"number\",\"default\":512,units:\"pixels\",doc:\"The minimum visual size to display tiles for this layer. Only configurable for raster layers.\"},\"*\":{type:\"*\",doc:\"Other keys to configure the data source.\"}},source_geojson:{type:{required:!0,type:\"enum\",values:[\"geojson\"],doc:\"The data type of the GeoJSON source.\"},data:{type:\"*\",doc:\"A URL to a GeoJSON file, or inline GeoJSON.\"},maxzoom:{type:\"number\",\"default\":14,doc:\"Maximum zoom level at which to create vector tiles (higher means greater detail at high zoom levels).\"},buffer:{type:\"number\",\"default\":64,doc:\"Tile buffer size on each side (higher means fewer rendering artifacts near tile edges but slower performance).\"},tolerance:{type:\"number\",\"default\":3,doc:\"Douglas-Peucker simplification tolerance (higher means simpler geometries and faster performance).\"},cluster:{type:\"boolean\",\"default\":!1,doc:\"If the data is a collection of point features, setting this to true clusters the points by radius into groups.\"},clusterRadius:{type:\"number\",\"default\":400,doc:\"Radius of each cluster when clustering points, relative to 4096 tile.\"},clusterMaxZoom:{type:\"number\",doc:\"Max zoom to cluster points on. Defaults to one zoom less than maxzoom (so that last zoom features are not clustered).\"}},source_video:{type:{required:!0,type:\"enum\",values:[\"video\"],doc:\"The data type of the video source.\"},urls:{required:!0,type:\"array\",value:\"string\",doc:\"URLs to video content in order of preferred format.\"},coordinates:{required:!0,doc:\"Corners of video specified in longitude, latitude pairs.\",type:\"array\",length:4,value:{type:\"array\",length:2,value:\"number\",doc:\"A single longitude, latitude pair.\"}}},source_image:{type:{required:!0,type:\"enum\",values:[\"image\"],doc:\"The data type of the image source.\"},url:{required:!0,type:\"string\",doc:\"URL that points to an image\"},coordinates:{required:!0,doc:\"Corners of image specified in longitude, latitude pairs.\",type:\"array\",length:4,value:{type:\"array\",length:2,value:\"number\",doc:\"A single longitude, latitude pair.\"}}},layer:{id:{type:\"string\",doc:\"Unique layer name.\",required:!0},type:{type:\"enum\",values:[\"fill\",\"line\",\"symbol\",\"circle\",\"raster\",\"background\"],doc:\"Rendering type of this layer.\"},metadata:{type:\"*\",doc:\"Arbitrary properties useful to track with the layer, but do not influence rendering. Properties should be prefixed to avoid collisions, like 'mapbox:'.\"},ref:{type:\"string\",doc:\"References another layer to copy `type`, `source`, `source-layer`, `minzoom`, `maxzoom`, `filter`, and `layout` properties from. This allows the layers to share processing and be more efficient.\"},source:{type:\"string\",doc:\"Name of a source description to be used for this layer.\"},\"source-layer\":{type:\"string\",doc:\"Layer to use from a vector tile source. Required if the source supports multiple layers.\"},minzoom:{type:\"number\",minimum:0,maximum:22,doc:\"The minimum zoom level on which the layer gets parsed and appears on.\"},maxzoom:{type:\"number\",minimum:0,maximum:22,doc:\"The maximum zoom level on which the layer gets parsed and appears on.\"},interactive:{type:\"boolean\",doc:\"Enable querying of feature data from this layer for interactivity.\",\"default\":!1},filter:{type:\"filter\",doc:\"A expression specifying conditions on source features. Only features that match the filter are displayed.\"},layout:{type:\"layout\",doc:\"Layout properties for the layer.\"},paint:{type:\"paint\",doc:\"Default paint properties for this layer.\"},\"paint.*\":{type:\"paint\",doc:\"Class-specific paint properties for this layer. The class name is the part after the first dot.\"\n}},layout:[\"layout_fill\",\"layout_line\",\"layout_circle\",\"layout_symbol\",\"layout_raster\",\"layout_background\"],layout_background:{visibility:{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"visible\",\"none\"],\"default\":\"visible\",doc:\"The display of this layer. `none` hides this layer.\"}},layout_fill:{visibility:{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"visible\",\"none\"],\"default\":\"visible\",doc:\"The display of this layer. `none` hides this layer.\"}},layout_circle:{visibility:{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"visible\",\"none\"],\"default\":\"visible\",doc:\"The display of this layer. `none` hides this layer.\"}},layout_line:{\"line-cap\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"butt\",\"round\",\"square\"],\"default\":\"butt\",doc:\"The display of line endings.\"},\"line-join\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"bevel\",\"round\",\"miter\"],\"default\":\"miter\",doc:\"The display of lines when joining.\"},\"line-miter-limit\":{type:\"number\",\"default\":2,\"function\":\"interpolated\",doc:\"Used to automatically convert miter joins to bevel joins for sharp angles.\",requires:[{\"line-join\":\"miter\"}]},\"line-round-limit\":{type:\"number\",\"default\":1.05,\"function\":\"interpolated\",doc:\"Used to automatically convert round joins to miter joins for shallow angles.\",requires:[{\"line-join\":\"round\"}]},visibility:{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"visible\",\"none\"],\"default\":\"visible\",doc:\"The display of this layer. `none` hides this layer.\"}},layout_symbol:{\"symbol-placement\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"point\",\"line\"],\"default\":\"point\",doc:\"Label placement relative to its geometry. `line` can only be used on LineStrings and Polygons.\"},\"symbol-spacing\":{type:\"number\",\"default\":250,minimum:1,\"function\":\"interpolated\",units:\"pixels\",doc:\"Distance between two symbol anchors.\",requires:[{\"symbol-placement\":\"line\"}]},\"symbol-avoid-edges\":{type:\"boolean\",\"function\":\"piecewise-constant\",\"default\":!1,doc:\"If true, the symbols will not cross tile edges to avoid mutual collisions. Recommended in layers that don't have enough padding in the vector tile to prevent collisions, or if it is a point symbol layer placed after a line symbol layer.\"},\"icon-allow-overlap\":{type:\"boolean\",\"function\":\"piecewise-constant\",\"default\":!1,doc:\"If true, the icon will be visible even if it collides with other previously drawn symbols.\",requires:[\"icon-image\"]},\"icon-ignore-placement\":{type:\"boolean\",\"function\":\"piecewise-constant\",\"default\":!1,doc:\"If true, other symbols can be visible even if they collide with the icon.\",requires:[\"icon-image\"]},\"icon-optional\":{type:\"boolean\",\"function\":\"piecewise-constant\",\"default\":!1,doc:\"If true, text will display without their corresponding icons when the icon collides with other symbols and the text does not.\",requires:[\"icon-image\",\"text-field\"]},\"icon-rotation-alignment\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"map\",\"viewport\"],\"default\":\"viewport\",doc:\"Orientation of icon when map is rotated.\",requires:[\"icon-image\"]},\"icon-size\":{type:\"number\",\"default\":1,minimum:0,\"function\":\"interpolated\",doc:\"Scale factor for icon. 1 is original size, 3 triples the size.\",requires:[\"icon-image\"]},\"icon-image\":{type:\"string\",\"function\":\"piecewise-constant\",doc:\"A string with {tokens} replaced, referencing the data property to pull from.\",tokens:!0},\"icon-rotate\":{type:\"number\",\"default\":0,period:360,\"function\":\"interpolated\",units:\"degrees\",doc:\"Rotates the icon clockwise.\",requires:[\"icon-image\"]},\"icon-padding\":{type:\"number\",\"default\":2,minimum:0,\"function\":\"interpolated\",units:\"pixels\",doc:\"Size of the additional area around the icon bounding box used for detecting symbol collisions.\",requires:[\"icon-image\"]},\"icon-keep-upright\":{type:\"boolean\",\"function\":\"piecewise-constant\",\"default\":!1,doc:\"If true, the icon may be flipped to prevent it from being rendered upside-down.\",requires:[\"icon-image\",{\"icon-rotation-alignment\":\"map\"},{\"symbol-placement\":\"line\"}]},\"icon-offset\":{type:\"array\",value:\"number\",length:2,\"default\":[0,0],\"function\":\"interpolated\",doc:\"Offset distance of icon from its anchor. Positive values indicate right and down, while negative values indicate left and up.\",requires:[\"icon-image\"]},\"text-rotation-alignment\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"map\",\"viewport\"],\"default\":\"viewport\",doc:\"Orientation of text when map is rotated.\",requires:[\"text-field\"]},\"text-field\":{type:\"string\",\"function\":\"piecewise-constant\",\"default\":\"\",tokens:!0,doc:\"Value to use for a text label. Feature properties are specified using tokens like {field_name}.\"},\"text-font\":{type:\"array\",value:\"string\",\"function\":\"piecewise-constant\",\"default\":[\"Open Sans Regular\",\"Arial Unicode MS Regular\"],doc:\"Font stack to use for displaying text.\",requires:[\"text-field\"]},\"text-size\":{type:\"number\",\"default\":16,minimum:0,units:\"pixels\",\"function\":\"interpolated\",doc:\"Font size.\",requires:[\"text-field\"]},\"text-max-width\":{type:\"number\",\"default\":10,minimum:0,units:\"em\",\"function\":\"interpolated\",doc:\"The maximum line width for text wrapping.\",requires:[\"text-field\"]},\"text-line-height\":{type:\"number\",\"default\":1.2,units:\"em\",\"function\":\"interpolated\",doc:\"Text leading value for multi-line text.\",requires:[\"text-field\"]},\"text-letter-spacing\":{type:\"number\",\"default\":0,units:\"em\",\"function\":\"interpolated\",doc:\"Text tracking amount.\",requires:[\"text-field\"]},\"text-justify\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"left\",\"center\",\"right\"],\"default\":\"center\",doc:\"Text justification options.\",requires:[\"text-field\"]},\"text-anchor\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"center\",\"left\",\"right\",\"top\",\"bottom\",\"top-left\",\"top-right\",\"bottom-left\",\"bottom-right\"],\"default\":\"center\",doc:\"Part of the text placed closest to the anchor.\",requires:[\"text-field\"]},\"text-max-angle\":{type:\"number\",\"default\":45,units:\"degrees\",\"function\":\"interpolated\",doc:\"Maximum angle change between adjacent characters.\",requires:[\"text-field\",{\"symbol-placement\":\"line\"}]},\"text-rotate\":{type:\"number\",\"default\":0,period:360,units:\"degrees\",\"function\":\"interpolated\",doc:\"Rotates the text clockwise.\",requires:[\"text-field\"]},\"text-padding\":{type:\"number\",\"default\":2,minimum:0,units:\"pixels\",\"function\":\"interpolated\",doc:\"Size of the additional area around the text bounding box used for detecting symbol collisions.\",requires:[\"text-field\"]},\"text-keep-upright\":{type:\"boolean\",\"function\":\"piecewise-constant\",\"default\":!0,doc:\"If true, the text may be flipped vertically to prevent it from being rendered upside-down.\",requires:[\"text-field\",{\"text-rotation-alignment\":\"map\"},{\"symbol-placement\":\"line\"}]},\"text-transform\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"none\",\"uppercase\",\"lowercase\"],\"default\":\"none\",doc:\"Specifies how to capitalize text, similar to the CSS `text-transform` property.\",requires:[\"text-field\"]},\"text-offset\":{type:\"array\",doc:\"Offset distance of text from its anchor. Positive values indicate right and down, while negative values indicate left and up.\",value:\"number\",units:\"ems\",\"function\":\"interpolated\",length:2,\"default\":[0,0],requires:[\"text-field\"]},\"text-allow-overlap\":{type:\"boolean\",\"function\":\"piecewise-constant\",\"default\":!1,doc:\"If true, the text will be visible even if it collides with other previously drawn symbols.\",requires:[\"text-field\"]},\"text-ignore-placement\":{type:\"boolean\",\"function\":\"piecewise-constant\",\"default\":!1,doc:\"If true, other symbols can be visible even if they collide with the text.\",requires:[\"text-field\"]},\"text-optional\":{type:\"boolean\",\"function\":\"piecewise-constant\",\"default\":!1,doc:\"If true, icons will display without their corresponding text when the text collides with other symbols and the icon does not.\",requires:[\"text-field\",\"icon-image\"]},visibility:{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"visible\",\"none\"],\"default\":\"visible\",doc:\"The display of this layer. `none` hides this layer.\"}},layout_raster:{visibility:{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"visible\",\"none\"],\"default\":\"visible\",doc:\"The display of this layer. `none` hides this layer.\"}},filter:{type:\"array\",value:\"*\",doc:\"A filter selects specific features from a layer.\"},filter_operator:{type:\"enum\",values:[\"==\",\"!=\",\">\",\">=\",\"<\",\"<=\",\"in\",\"!in\",\"all\",\"any\",\"none\",\"has\",\"!has\"],doc:\"The filter operator.\"},geometry_type:{type:\"enum\",values:[\"Point\",\"LineString\",\"Polygon\"],doc:\"The geometry type for the filter to select.\"},color_operation:{type:\"enum\",values:[\"lighten\",\"saturate\",\"spin\",\"fade\",\"mix\"],doc:\"A color operation to apply.\"},\"function\":{stops:{type:\"array\",required:!0,doc:\"An array of stops.\",value:\"function_stop\"},base:{type:\"number\",\"default\":1,minimum:0,doc:\"The exponential base of the interpolation curve. It controls the rate at which the result increases. Higher values make the result increase more towards the high end of the range. With `1` the stops are interpolated linearly.\"},property:{type:\"string\",doc:\"The name of a global property or feature property to use as the function input.\",\"default\":\"$zoom\"},type:{type:\"enum\",values:[\"exponential\",\"interval\",\"categorical\"],doc:\"The interpolation strategy to use in function evaluation.\",\"default\":\"exponential\"}},function_stop:{type:\"array\",minimum:0,maximum:22,value:[\"number\",\"color\"],length:2,doc:\"Zoom level and value pair.\"},paint:[\"paint_fill\",\"paint_line\",\"paint_circle\",\"paint_symbol\",\"paint_raster\",\"paint_background\"],paint_fill:{\"fill-antialias\":{type:\"boolean\",\"function\":\"piecewise-constant\",\"default\":!0,doc:\"Whether or not the fill should be antialiased.\"},\"fill-opacity\":{type:\"number\",\"function\":\"interpolated\",\"default\":1,minimum:0,maximum:1,doc:\"The opacity given to the fill color.\",transition:!0},\"fill-color\":{type:\"color\",\"default\":\"#000000\",doc:\"The color of the fill.\",\"function\":\"interpolated\",transition:!0,requires:[{\"!\":\"fill-pattern\"}]},\"fill-outline-color\":{type:\"color\",doc:\"The outline color of the fill. Matches the value of `fill-color` if unspecified.\",\"function\":\"interpolated\",transition:!0,requires:[{\"!\":\"fill-pattern\"},{\"fill-antialias\":!0}]},\"fill-translate\":{type:\"array\",value:\"number\",length:2,\"default\":[0,0],\"function\":\"interpolated\",transition:!0,units:\"pixels\",doc:\"The geometry's offset. Values are [x, y] where negatives indicate left and up, respectively.\"},\"fill-translate-anchor\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"map\",\"viewport\"],doc:\"Control whether the translation is relative to the map (north) or viewport (screen)\",\"default\":\"map\",requires:[\"fill-translate\"]},\"fill-pattern\":{type:\"string\",\"function\":\"piecewise-constant\",transition:!0,doc:\"Name of image in sprite to use for drawing image fills. For seamless patterns, image width and height must be a factor of two (2, 4, 8, ..., 512).\"}},paint_line:{\"line-opacity\":{type:\"number\",doc:\"The opacity at which the line will be drawn.\",\"function\":\"interpolated\",\"default\":1,minimum:0,maximum:1,transition:!0},\"line-color\":{type:\"color\",doc:\"The color with which the line will be drawn.\",\"default\":\"#000000\",\"function\":\"interpolated\",transition:!0,requires:[{\"!\":\"line-pattern\"}]},\"line-translate\":{type:\"array\",value:\"number\",length:2,\"default\":[0,0],\"function\":\"interpolated\",transition:!0,units:\"pixels\",doc:\"The geometry's offset. Values are [x, y] where negatives indicate left and up, respectively.\"},\"line-translate-anchor\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"map\",\"viewport\"],doc:\"Control whether the translation is relative to the map (north) or viewport (screen)\",\"default\":\"map\",requires:[\"line-translate\"]},\"line-width\":{type:\"number\",\"default\":1,minimum:0,\"function\":\"interpolated\",transition:!0,units:\"pixels\",doc:\"Stroke thickness.\"},\"line-gap-width\":{type:\"number\",\"default\":0,minimum:0,doc:\"Draws a line casing outside of a line's actual path. Value indicates the width of the inner gap.\",\"function\":\"interpolated\",transition:!0,units:\"pixels\"},\"line-offset\":{type:\"number\",\"default\":0,doc:'The line\\'s offset perpendicular to its direction. Values may be positive or negative, where positive indicates \"rightwards\" (if you were moving in the direction of the line) and negative indicates \"leftwards.\"',\"function\":\"interpolated\",transition:!0,units:\"pixels\"},\"line-blur\":{type:\"number\",\"default\":0,minimum:0,\"function\":\"interpolated\",transition:!0,units:\"pixels\",doc:\"Blur applied to the line, in pixels.\"},\"line-dasharray\":{type:\"array\",value:\"number\",\"function\":\"piecewise-constant\",doc:\"Specifies the lengths of the alternating dashes and gaps that form the dash pattern. The lengths are later scaled by the line width. To convert a dash length to pixels, multiply the length by the current line width.\",minimum:0,transition:!0,units:\"line widths\",requires:[{\"!\":\"line-pattern\"}]},\"line-pattern\":{type:\"string\",\"function\":\"piecewise-constant\",transition:!0,doc:\"Name of image in sprite to use for drawing image lines. For seamless patterns, image width must be a factor of two (2, 4, 8, ..., 512).\"}},paint_circle:{\"circle-radius\":{type:\"number\",\"default\":5,minimum:0,\"function\":\"interpolated\",transition:!0,units:\"pixels\",doc:\"Circle radius.\"},\"circle-color\":{type:\"color\",\"default\":\"#000000\",doc:\"The color of the circle.\",\"function\":\"interpolated\",transition:!0},\"circle-blur\":{type:\"number\",\"default\":0,doc:\"Amount to blur the circle. 1 blurs the circle such that only the centerpoint is full opacity.\",\"function\":\"interpolated\",transition:!0},\"circle-opacity\":{type:\"number\",doc:\"The opacity at which the circle will be drawn.\",\"default\":1,minimum:0,maximum:1,\"function\":\"interpolated\",transition:!0},\"circle-translate\":{type:\"array\",value:\"number\",length:2,\"default\":[0,0],\"function\":\"interpolated\",transition:!0,units:\"pixels\",doc:\"The geometry's offset. Values are [x, y] where negatives indicate left and up, respectively.\"},\"circle-translate-anchor\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"map\",\"viewport\"],doc:\"Control whether the translation is relative to the map (north) or viewport (screen)\",\"default\":\"map\",requires:[\"circle-translate\"]}},paint_symbol:{\"icon-opacity\":{doc:\"The opacity at which the icon will be drawn.\",type:\"number\",\"default\":1,minimum:0,maximum:1,\"function\":\"interpolated\",transition:!0,requires:[\"icon-image\"]},\"icon-color\":{type:\"color\",\"default\":\"#000000\",\"function\":\"interpolated\",transition:!0,doc:\"The color of the icon. This can only be used with sdf icons.\",requires:[\"icon-image\"]},\"icon-halo-color\":{type:\"color\",\"default\":\"rgba(0, 0, 0, 0)\",\"function\":\"interpolated\",transition:!0,doc:\"The color of the icon's halo. Icon halos can only be used with sdf icons.\",requires:[\"icon-image\"]},\"icon-halo-width\":{type:\"number\",\"default\":0,minimum:0,\"function\":\"interpolated\",transition:!0,units:\"pixels\",doc:\"Distance of halo to the icon outline.\",requires:[\"icon-image\"]},\"icon-halo-blur\":{type:\"number\",\"default\":0,minimum:0,\"function\":\"interpolated\",transition:!0,units:\"pixels\",doc:\"Fade out the halo towards the outside.\",requires:[\"icon-image\"]},\"icon-translate\":{type:\"array\",value:\"number\",length:2,\"default\":[0,0],\"function\":\"interpolated\",transition:!0,units:\"pixels\",doc:\"Distance that the icon's anchor is moved from its original placement. Positive values indicate right and down, while negative values indicate left and up.\",requires:[\"icon-image\"]},\"icon-translate-anchor\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"map\",\"viewport\"],doc:\"Control whether the translation is relative to the map (north) or viewport (screen).\",\"default\":\"map\",requires:[\"icon-image\",\"icon-translate\"]},\"text-opacity\":{type:\"number\",doc:\"The opacity at which the text will be drawn.\",\"default\":1,minimum:0,maximum:1,\"function\":\"interpolated\",transition:!0,requires:[\"text-field\"]},\"text-color\":{type:\"color\",doc:\"The color with which the text will be drawn.\",\"default\":\"#000000\",\"function\":\"interpolated\",transition:!0,requires:[\"text-field\"]},\"text-halo-color\":{type:\"color\",\"default\":\"rgba(0, 0, 0, 0)\",\"function\":\"interpolated\",transition:!0,doc:\"The color of the text's halo, which helps it stand out from backgrounds.\",requires:[\"text-field\"]},\"text-halo-width\":{type:\"number\",\"default\":0,minimum:0,\"function\":\"interpolated\",transition:!0,units:\"pixels\",doc:\"Distance of halo to the font outline. Max text halo width is 1/4 of the font-size.\",requires:[\"text-field\"]},\"text-halo-blur\":{type:\"number\",\"default\":0,minimum:0,\"function\":\"interpolated\",transition:!0,units:\"pixels\",doc:\"The halo's fadeout distance towards the outside.\",requires:[\"text-field\"]},\"text-translate\":{type:\"array\",value:\"number\",length:2,\"default\":[0,0],\"function\":\"interpolated\",transition:!0,units:\"pixels\",doc:\"Distance that the text's anchor is moved from its original placement. Positive values indicate right and down, while negative values indicate left and up.\",requires:[\"text-field\"]},\"text-translate-anchor\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"map\",\"viewport\"],doc:\"Control whether the translation is relative to the map (north) or viewport (screen).\",\"default\":\"map\",requires:[\"text-field\",\"text-translate\"]}},paint_raster:{\"raster-opacity\":{type:\"number\",doc:\"The opacity at which the image will be drawn.\",\"default\":1,minimum:0,maximum:1,\"function\":\"interpolated\",transition:!0},\"raster-hue-rotate\":{type:\"number\",\"default\":0,period:360,\"function\":\"interpolated\",transition:!0,units:\"degrees\",doc:\"Rotates hues around the color wheel.\"},\"raster-brightness-min\":{type:\"number\",\"function\":\"interpolated\",doc:\"Increase or reduce the brightness of the image. The value is the minimum brightness.\",\"default\":0,minimum:0,maximum:1,transition:!0},\"raster-brightness-max\":{type:\"number\",\"function\":\"interpolated\",doc:\"Increase or reduce the brightness of the image. The value is the maximum brightness.\",\"default\":1,minimum:0,maximum:1,transition:!0},\"raster-saturation\":{type:\"number\",doc:\"Increase or reduce the saturation of the image.\",\"default\":0,minimum:-1,maximum:1,\"function\":\"interpolated\",transition:!0},\"raster-contrast\":{type:\"number\",doc:\"Increase or reduce the contrast of the image.\",\"default\":0,minimum:-1,maximum:1,\"function\":\"interpolated\",transition:!0},\"raster-fade-duration\":{type:\"number\",\"default\":300,minimum:0,\"function\":\"interpolated\",transition:!0,units:\"milliseconds\",doc:\"Fade duration when a new tile is added.\"}},paint_background:{\"background-color\":{type:\"color\",\"default\":\"#000000\",doc:\"The color with which the background will be drawn.\",\"function\":\"interpolated\",transition:!0,requires:[{\"!\":\"background-pattern\"}]},\"background-pattern\":{type:\"string\",\"function\":\"piecewise-constant\",transition:!0,doc:\"Name of image in sprite to use for drawing an image background. For seamless patterns, image width and height must be a factor of two (2, 4, 8, ..., 512).\"},\"background-opacity\":{type:\"number\",\"default\":1,minimum:0,maximum:1,doc:\"The opacity at which the background will be drawn.\",\"function\":\"interpolated\",transition:!0}},transition:{duration:{type:\"number\",\"default\":300,minimum:0,units:\"milliseconds\",doc:\"Time allotted for transitions to complete.\"},delay:{type:\"number\",\"default\":0,minimum:0,units:\"milliseconds\",doc:\"Length of time before a transition begins.\"}}}},{}],400:[function(t,e,r){e.exports={$version:8,$root:{version:{required:!0,type:\"enum\",values:[8]},name:{type:\"string\"},metadata:{type:\"*\"},center:{type:\"array\",value:\"number\"},zoom:{type:\"number\"},bearing:{type:\"number\",\"default\":0,period:360,units:\"degrees\"},pitch:{type:\"number\",\"default\":0,units:\"degrees\"},sources:{required:!0,type:\"sources\"},sprite:{type:\"string\"},glyphs:{type:\"string\"},transition:{type:\"transition\"},layers:{required:!0,type:\"array\",value:\"layer\"}},sources:{\"*\":{type:\"source\"}},source:[\"source_tile\",\"source_geojson\",\"source_video\",\"source_image\"],source_tile:{type:{required:!0,type:\"enum\",values:[\"vector\",\"raster\"]},url:{type:\"string\"},tiles:{type:\"array\",value:\"string\"},minzoom:{type:\"number\",\"default\":0},maxzoom:{type:\"number\",\"default\":22},tileSize:{type:\"number\",\"default\":512,units:\"pixels\"},\"*\":{type:\"*\"}},source_geojson:{type:{required:!0,type:\"enum\",values:[\"geojson\"]},data:{type:\"*\"},maxzoom:{type:\"number\",\"default\":14},buffer:{type:\"number\",\"default\":64},tolerance:{type:\"number\",\"default\":3},cluster:{type:\"boolean\",\"default\":!1},clusterRadius:{type:\"number\",\"default\":400},clusterMaxZoom:{type:\"number\"}},source_video:{type:{required:!0,type:\"enum\",values:[\"video\"]},urls:{required:!0,type:\"array\",value:\"string\"},coordinates:{required:!0,type:\"array\",length:4,value:{type:\"array\",length:2,value:\"number\"}}},source_image:{type:{required:!0,type:\"enum\",values:[\"image\"]},url:{required:!0,type:\"string\"},coordinates:{required:!0,type:\"array\",length:4,value:{type:\"array\",length:2,value:\"number\"}}},layer:{id:{type:\"string\",required:!0},type:{type:\"enum\",values:[\"fill\",\"line\",\"symbol\",\"circle\",\"raster\",\"background\"]},metadata:{type:\"*\"},ref:{type:\"string\"},source:{type:\"string\"},\"source-layer\":{type:\"string\"},minzoom:{type:\"number\",minimum:0,maximum:22},maxzoom:{type:\"number\",minimum:0,maximum:22},interactive:{type:\"boolean\",\"default\":!1},filter:{type:\"filter\"},layout:{type:\"layout\"},paint:{type:\"paint\"},\"paint.*\":{type:\"paint\"}},layout:[\"layout_fill\",\"layout_line\",\"layout_circle\",\"layout_symbol\",\"layout_raster\",\"layout_background\"],layout_background:{visibility:{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"visible\",\"none\"],\"default\":\"visible\"}},layout_fill:{visibility:{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"visible\",\"none\"],\"default\":\"visible\"}},layout_circle:{visibility:{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"visible\",\"none\"],\"default\":\"visible\"}},layout_line:{\"line-cap\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"butt\",\"round\",\"square\"],\"default\":\"butt\"},\"line-join\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"bevel\",\"round\",\"miter\"],\"default\":\"miter\"},\"line-miter-limit\":{type:\"number\",\"default\":2,\"function\":\"interpolated\",requires:[{\"line-join\":\"miter\"}]},\"line-round-limit\":{type:\"number\",\"default\":1.05,\"function\":\"interpolated\",requires:[{\"line-join\":\"round\"}]},visibility:{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"visible\",\"none\"],\"default\":\"visible\"}},layout_symbol:{\"symbol-placement\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"point\",\"line\"],\"default\":\"point\"},\"symbol-spacing\":{type:\"number\",\"default\":250,minimum:1,\"function\":\"interpolated\",units:\"pixels\",requires:[{\"symbol-placement\":\"line\"}]},\"symbol-avoid-edges\":{type:\"boolean\",\"function\":\"piecewise-constant\",\"default\":!1},\"icon-allow-overlap\":{type:\"boolean\",\"function\":\"piecewise-constant\",\"default\":!1,requires:[\"icon-image\"]},\"icon-ignore-placement\":{type:\"boolean\",\"function\":\"piecewise-constant\",\"default\":!1,requires:[\"icon-image\"]},\"icon-optional\":{type:\"boolean\",\"function\":\"piecewise-constant\",\"default\":!1,requires:[\"icon-image\",\"text-field\"]},\"icon-rotation-alignment\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"map\",\"viewport\"],\"default\":\"viewport\",requires:[\"icon-image\"]},\"icon-size\":{type:\"number\",\"default\":1,minimum:0,\"function\":\"interpolated\",requires:[\"icon-image\"]},\"icon-image\":{type:\"string\",\"function\":\"piecewise-constant\",tokens:!0},\"icon-rotate\":{type:\"number\",\"default\":0,period:360,\"function\":\"interpolated\",units:\"degrees\",requires:[\"icon-image\"]},\"icon-padding\":{type:\"number\",\"default\":2,minimum:0,\"function\":\"interpolated\",units:\"pixels\",requires:[\"icon-image\"]},\"icon-keep-upright\":{type:\"boolean\",\"function\":\"piecewise-constant\",\"default\":!1,requires:[\"icon-image\",{\"icon-rotation-alignment\":\"map\"},{\"symbol-placement\":\"line\"}]},\"icon-offset\":{type:\"array\",value:\"number\",length:2,\"default\":[0,0],\"function\":\"interpolated\",requires:[\"icon-image\"]},\"text-rotation-alignment\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"map\",\"viewport\"],\"default\":\"viewport\",requires:[\"text-field\"]},\"text-field\":{type:\"string\",\"function\":\"piecewise-constant\",\"default\":\"\",tokens:!0},\"text-font\":{type:\"array\",value:\"string\",\"function\":\"piecewise-constant\",\"default\":[\"Open Sans Regular\",\"Arial Unicode MS Regular\"],requires:[\"text-field\"]},\"text-size\":{type:\"number\",\"default\":16,minimum:0,units:\"pixels\",\"function\":\"interpolated\",requires:[\"text-field\"]},\"text-max-width\":{type:\"number\",\"default\":10,minimum:0,units:\"em\",\"function\":\"interpolated\",requires:[\"text-field\"]},\"text-line-height\":{type:\"number\",\"default\":1.2,units:\"em\",\"function\":\"interpolated\",requires:[\"text-field\"]},\"text-letter-spacing\":{type:\"number\",\"default\":0,units:\"em\",\"function\":\"interpolated\",requires:[\"text-field\"]},\"text-justify\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"left\",\"center\",\"right\"],\"default\":\"center\",requires:[\"text-field\"]},\"text-anchor\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"center\",\"left\",\"right\",\"top\",\"bottom\",\"top-left\",\"top-right\",\"bottom-left\",\"bottom-right\"],\"default\":\"center\",requires:[\"text-field\"]},\"text-max-angle\":{type:\"number\",\"default\":45,units:\"degrees\",\"function\":\"interpolated\",requires:[\"text-field\",{\"symbol-placement\":\"line\"}]},\"text-rotate\":{type:\"number\",\"default\":0,period:360,units:\"degrees\",\"function\":\"interpolated\",requires:[\"text-field\"]},\"text-padding\":{type:\"number\",\"default\":2,minimum:0,units:\"pixels\",\"function\":\"interpolated\",requires:[\"text-field\"]},\"text-keep-upright\":{type:\"boolean\",\"function\":\"piecewise-constant\",\"default\":!0,requires:[\"text-field\",{\"text-rotation-alignment\":\"map\"},{\"symbol-placement\":\"line\"}]},\"text-transform\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"none\",\"uppercase\",\"lowercase\"],\"default\":\"none\",requires:[\"text-field\"]},\"text-offset\":{type:\"array\",value:\"number\",units:\"ems\",\"function\":\"interpolated\",length:2,\"default\":[0,0],requires:[\"text-field\"]},\"text-allow-overlap\":{type:\"boolean\",\"function\":\"piecewise-constant\",\"default\":!1,requires:[\"text-field\"]},\"text-ignore-placement\":{type:\"boolean\",\"function\":\"piecewise-constant\",\"default\":!1,requires:[\"text-field\"]},\"text-optional\":{type:\"boolean\",\"function\":\"piecewise-constant\",\"default\":!1,requires:[\"text-field\",\"icon-image\"]},visibility:{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"visible\",\"none\"],\"default\":\"visible\"}},layout_raster:{visibility:{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"visible\",\"none\"],\"default\":\"visible\"}},filter:{type:\"array\",value:\"*\"},filter_operator:{type:\"enum\",values:[\"==\",\"!=\",\">\",\">=\",\"<\",\"<=\",\"in\",\"!in\",\"all\",\"any\",\"none\",\"has\",\"!has\"]},geometry_type:{type:\"enum\",values:[\"Point\",\"LineString\",\"Polygon\"]},color_operation:{type:\"enum\",values:[\"lighten\",\"saturate\",\"spin\",\"fade\",\"mix\"]},\"function\":{stops:{type:\"array\",required:!0,value:\"function_stop\"},base:{type:\"number\",\"default\":1,minimum:0},property:{type:\"string\",\"default\":\"$zoom\"},type:{type:\"enum\",values:[\"exponential\",\"interval\",\"categorical\"],\"default\":\"exponential\"}},function_stop:{type:\"array\",minimum:0,maximum:22,value:[\"number\",\"color\"],length:2},paint:[\"paint_fill\",\"paint_line\",\"paint_circle\",\"paint_symbol\",\"paint_raster\",\"paint_background\"],paint_fill:{\"fill-antialias\":{type:\"boolean\",\"function\":\"piecewise-constant\",\"default\":!0},\"fill-opacity\":{type:\"number\",\"function\":\"interpolated\",\"default\":1,minimum:0,maximum:1,transition:!0},\"fill-color\":{type:\"color\",\"default\":\"#000000\",\"function\":\"interpolated\",transition:!0,requires:[{\"!\":\"fill-pattern\"}]},\"fill-outline-color\":{type:\"color\",\"function\":\"interpolated\",transition:!0,requires:[{\"!\":\"fill-pattern\"},{\"fill-antialias\":!0}]},\"fill-translate\":{type:\"array\",value:\"number\",length:2,\"default\":[0,0],\"function\":\"interpolated\",transition:!0,units:\"pixels\"},\"fill-translate-anchor\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"map\",\"viewport\"],\"default\":\"map\",requires:[\"fill-translate\"]},\"fill-pattern\":{type:\"string\",\"function\":\"piecewise-constant\",transition:!0}},paint_line:{\"line-opacity\":{type:\"number\",\"function\":\"interpolated\",\"default\":1,minimum:0,maximum:1,transition:!0},\"line-color\":{type:\"color\",\"default\":\"#000000\",\"function\":\"interpolated\",transition:!0,requires:[{\"!\":\"line-pattern\"}]},\"line-translate\":{type:\"array\",value:\"number\",length:2,\"default\":[0,0],\"function\":\"interpolated\",transition:!0,units:\"pixels\"},\"line-translate-anchor\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"map\",\"viewport\"],\"default\":\"map\",requires:[\"line-translate\"]},\"line-width\":{type:\"number\",\"default\":1,minimum:0,\"function\":\"interpolated\",transition:!0,units:\"pixels\"},\"line-gap-width\":{type:\"number\",\"default\":0,minimum:0,\"function\":\"interpolated\",transition:!0,units:\"pixels\"},\"line-offset\":{type:\"number\",\"default\":0,\"function\":\"interpolated\",transition:!0,units:\"pixels\"},\"line-blur\":{type:\"number\",\"default\":0,minimum:0,\"function\":\"interpolated\",transition:!0,units:\"pixels\"},\"line-dasharray\":{type:\"array\",value:\"number\",\"function\":\"piecewise-constant\",minimum:0,transition:!0,units:\"line widths\",requires:[{\"!\":\"line-pattern\"}]},\"line-pattern\":{type:\"string\",\"function\":\"piecewise-constant\",transition:!0}},paint_circle:{\"circle-radius\":{type:\"number\",\"default\":5,minimum:0,\"function\":\"interpolated\",transition:!0,units:\"pixels\"},\"circle-color\":{type:\"color\",\"default\":\"#000000\",\"function\":\"interpolated\",transition:!0},\"circle-blur\":{type:\"number\",\"default\":0,\"function\":\"interpolated\",transition:!0},\"circle-opacity\":{type:\"number\",\"default\":1,minimum:0,maximum:1,\"function\":\"interpolated\",transition:!0},\"circle-translate\":{type:\"array\",value:\"number\",length:2,\"default\":[0,0],\"function\":\"interpolated\",transition:!0,units:\"pixels\"},\"circle-translate-anchor\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"map\",\"viewport\"],\"default\":\"map\",requires:[\"circle-translate\"]}},paint_symbol:{\"icon-opacity\":{type:\"number\",\"default\":1,minimum:0,maximum:1,\"function\":\"interpolated\",transition:!0,requires:[\"icon-image\"]},\"icon-color\":{type:\"color\",\"default\":\"#000000\",\"function\":\"interpolated\",transition:!0,requires:[\"icon-image\"]},\"icon-halo-color\":{type:\"color\",\"default\":\"rgba(0, 0, 0, 0)\",\"function\":\"interpolated\",transition:!0,requires:[\"icon-image\"]},\"icon-halo-width\":{type:\"number\",\"default\":0,minimum:0,\"function\":\"interpolated\",transition:!0,units:\"pixels\",requires:[\"icon-image\"]},\"icon-halo-blur\":{type:\"number\",\"default\":0,minimum:0,\"function\":\"interpolated\",transition:!0,units:\"pixels\",requires:[\"icon-image\"]},\"icon-translate\":{type:\"array\",value:\"number\",length:2,\"default\":[0,0],\"function\":\"interpolated\",transition:!0,units:\"pixels\",requires:[\"icon-image\"]},\"icon-translate-anchor\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"map\",\"viewport\"],\"default\":\"map\",requires:[\"icon-image\",\"icon-translate\"]},\"text-opacity\":{type:\"number\",\"default\":1,minimum:0,maximum:1,\"function\":\"interpolated\",transition:!0,requires:[\"text-field\"]},\"text-color\":{type:\"color\",\"default\":\"#000000\",\"function\":\"interpolated\",transition:!0,requires:[\"text-field\"]},\"text-halo-color\":{type:\"color\",\"default\":\"rgba(0, 0, 0, 0)\",\"function\":\"interpolated\",transition:!0,requires:[\"text-field\"]},\"text-halo-width\":{type:\"number\",\"default\":0,minimum:0,\"function\":\"interpolated\",transition:!0,units:\"pixels\",requires:[\"text-field\"]},\"text-halo-blur\":{type:\"number\",\"default\":0,minimum:0,\"function\":\"interpolated\",transition:!0,units:\"pixels\",requires:[\"text-field\"]},\"text-translate\":{type:\"array\",value:\"number\",length:2,\"default\":[0,0],\"function\":\"interpolated\",transition:!0,units:\"pixels\",requires:[\"text-field\"]},\"text-translate-anchor\":{type:\"enum\",\"function\":\"piecewise-constant\",values:[\"map\",\"viewport\"],\"default\":\"map\",requires:[\"text-field\",\"text-translate\"]}},paint_raster:{\"raster-opacity\":{type:\"number\",\"default\":1,minimum:0,maximum:1,\"function\":\"interpolated\",transition:!0},\"raster-hue-rotate\":{type:\"number\",\"default\":0,period:360,\"function\":\"interpolated\",transition:!0,units:\"degrees\"},\"raster-brightness-min\":{type:\"number\",\"function\":\"interpolated\",\"default\":0,minimum:0,maximum:1,transition:!0},\"raster-brightness-max\":{type:\"number\",\"function\":\"interpolated\",\"default\":1,minimum:0,maximum:1,transition:!0},\"raster-saturation\":{type:\"number\",\"default\":0,minimum:-1,maximum:1,\"function\":\"interpolated\",\ntransition:!0},\"raster-contrast\":{type:\"number\",\"default\":0,minimum:-1,maximum:1,\"function\":\"interpolated\",transition:!0},\"raster-fade-duration\":{type:\"number\",\"default\":300,minimum:0,\"function\":\"interpolated\",transition:!0,units:\"milliseconds\"}},paint_background:{\"background-color\":{type:\"color\",\"default\":\"#000000\",\"function\":\"interpolated\",transition:!0,requires:[{\"!\":\"background-pattern\"}]},\"background-pattern\":{type:\"string\",\"function\":\"piecewise-constant\",transition:!0},\"background-opacity\":{type:\"number\",\"default\":1,minimum:0,maximum:1,\"function\":\"interpolated\",transition:!0}},transition:{duration:{type:\"number\",\"default\":300,minimum:0,units:\"milliseconds\"},delay:{type:\"number\",\"default\":0,minimum:0,units:\"milliseconds\"}}}},{}],401:[function(t,e,r){\"use strict\";function n(t){var e;t&&t.length&&(e=t,t=e.length);var r=new Uint8Array(t||0);return e&&r.set(e),r.readUInt32LE=o.readUInt32LE,r.writeUInt32LE=o.writeUInt32LE,r.readInt32LE=o.readInt32LE,r.writeInt32LE=o.writeInt32LE,r.readFloatLE=o.readFloatLE,r.writeFloatLE=o.writeFloatLE,r.readDoubleLE=o.readDoubleLE,r.writeDoubleLE=o.writeDoubleLE,r.toString=o.toString,r.write=o.write,r.slice=o.slice,r.copy=o.copy,r._isBuffer=!0,r}function i(t){for(var e,r,n=t.length,i=[],o=0;n>o;o++){if(e=t.charCodeAt(o),e>55295&&57344>e){if(!r){e>56319||o+1===n?i.push(239,191,189):r=e;continue}if(56320>e){i.push(239,191,189),r=e;continue}e=r-55296<<10|e-56320|65536,r=null}else r&&(i.push(239,191,189),r=null);128>e?i.push(e):2048>e?i.push(e>>6|192,63&e|128):65536>e?i.push(e>>12|224,e>>6&63|128,63&e|128):i.push(e>>18|240,e>>12&63|128,e>>6&63|128,63&e|128)}return i}e.exports=n;var o,a,s,l=t(\"ieee754\");o={readUInt32LE:function(t){return(this[t]|this[t+1]<<8|this[t+2]<<16)+16777216*this[t+3]},writeUInt32LE:function(t,e){this[e]=t,this[e+1]=t>>>8,this[e+2]=t>>>16,this[e+3]=t>>>24},readInt32LE:function(t){return(this[t]|this[t+1]<<8|this[t+2]<<16)+(this[t+3]<<24)},readFloatLE:function(t){return l.read(this,t,!0,23,4)},readDoubleLE:function(t){return l.read(this,t,!0,52,8)},writeFloatLE:function(t,e){return l.write(this,t,e,!0,23,4)},writeDoubleLE:function(t,e){return l.write(this,t,e,!0,52,8)},toString:function(t,e,r){var n=\"\",i=\"\";e=e||0,r=Math.min(this.length,r||this.length);for(var o=e;r>o;o++){var a=this[o];127>=a?(n+=decodeURIComponent(i)+String.fromCharCode(a),i=\"\"):i+=\"%\"+a.toString(16)}return n+=decodeURIComponent(i)},write:function(t,e){for(var r=t===a?s:i(t),n=0;n<r.length;n++)this[e+n]=r[n]},slice:function(t,e){return this.subarray(t,e)},copy:function(t,e){e=e||0;for(var r=0;r<this.length;r++)t[e+r]=this[r]}},o.writeInt32LE=o.writeUInt32LE,n.byteLength=function(t){return a=t,s=i(t),s.length},n.isBuffer=function(t){return!(!t||!t._isBuffer)}},{ieee754:403}],402:[function(t,e,r){(function(r){\"use strict\";function n(t){this.buf=m.isBuffer(t)?t:new m(t||0),this.pos=0,this.length=this.buf.length}function i(t,e){var r,n=e.buf;if(r=n[e.pos++],t+=268435456*(127&r),128>r)return t;if(r=n[e.pos++],t+=34359738368*(127&r),128>r)return t;if(r=n[e.pos++],t+=4398046511104*(127&r),128>r)return t;if(r=n[e.pos++],t+=562949953421312*(127&r),128>r)return t;if(r=n[e.pos++],t+=72057594037927940*(127&r),128>r)return t;if(r=n[e.pos++],t+=0x8000000000000000*(127&r),128>r)return t;throw new Error(\"Expected varint not more than 10 bytes\")}function o(t,e){e.realloc(10);for(var r=e.pos+10;t>=1;){if(e.pos>=r)throw new Error(\"Given varint doesn't fit into 10 bytes\");var n=255&t;e.buf[e.pos++]=n|(t>=128?128:0),t/=128}}function a(t,e,r){var n=16383>=e?1:2097151>=e?2:268435455>=e?3:Math.ceil(Math.log(e)/(7*Math.LN2));r.realloc(n);for(var i=r.pos-1;i>=t;i--)r.buf[i+n]=r.buf[i]}function s(t,e){for(var r=0;r<t.length;r++)e.writeVarint(t[r])}function l(t,e){for(var r=0;r<t.length;r++)e.writeSVarint(t[r])}function u(t,e){for(var r=0;r<t.length;r++)e.writeFloat(t[r])}function c(t,e){for(var r=0;r<t.length;r++)e.writeDouble(t[r])}function h(t,e){for(var r=0;r<t.length;r++)e.writeBoolean(t[r])}function f(t,e){for(var r=0;r<t.length;r++)e.writeFixed32(t[r])}function d(t,e){for(var r=0;r<t.length;r++)e.writeSFixed32(t[r])}function p(t,e){for(var r=0;r<t.length;r++)e.writeFixed64(t[r])}function v(t,e){for(var r=0;r<t.length;r++)e.writeSFixed64(t[r])}e.exports=n;var m=r.Buffer||t(\"./buffer\");n.Varint=0,n.Fixed64=1,n.Bytes=2,n.Fixed32=5;var g=4294967296,y=1/g,b=Math.pow(2,63);n.prototype={destroy:function(){this.buf=null},readFields:function(t,e,r){for(r=r||this.length;this.pos<r;){var n=this.readVarint(),i=n>>3,o=this.pos;t(i,e,this),this.pos===o&&this.skip(n)}return e},readMessage:function(t,e){return this.readFields(t,e,this.readVarint()+this.pos)},readFixed32:function(){var t=this.buf.readUInt32LE(this.pos);return this.pos+=4,t},readSFixed32:function(){var t=this.buf.readInt32LE(this.pos);return this.pos+=4,t},readFixed64:function(){var t=this.buf.readUInt32LE(this.pos)+this.buf.readUInt32LE(this.pos+4)*g;return this.pos+=8,t},readSFixed64:function(){var t=this.buf.readUInt32LE(this.pos)+this.buf.readInt32LE(this.pos+4)*g;return this.pos+=8,t},readFloat:function(){var t=this.buf.readFloatLE(this.pos);return this.pos+=4,t},readDouble:function(){var t=this.buf.readDoubleLE(this.pos);return this.pos+=8,t},readVarint:function(){var t,e,r=this.buf;return e=r[this.pos++],t=127&e,128>e?t:(e=r[this.pos++],t|=(127&e)<<7,128>e?t:(e=r[this.pos++],t|=(127&e)<<14,128>e?t:(e=r[this.pos++],t|=(127&e)<<21,128>e?t:i(t,this))))},readVarint64:function(){var t=this.pos,e=this.readVarint();if(b>e)return e;for(var r=this.pos-2;255===this.buf[r];)r--;t>r&&(r=t),e=0;for(var n=0;r-t+1>n;n++){var i=127&~this.buf[t+n];e+=4>n?i<<7*n:i*Math.pow(2,7*n)}return-e-1},readSVarint:function(){var t=this.readVarint();return t%2===1?(t+1)/-2:t/2},readBoolean:function(){return Boolean(this.readVarint())},readString:function(){var t=this.readVarint()+this.pos,e=this.buf.toString(\"utf8\",this.pos,t);return this.pos=t,e},readBytes:function(){var t=this.readVarint()+this.pos,e=this.buf.slice(this.pos,t);return this.pos=t,e},readPackedVarint:function(){for(var t=this.readVarint()+this.pos,e=[];this.pos<t;)e.push(this.readVarint());return e},readPackedSVarint:function(){for(var t=this.readVarint()+this.pos,e=[];this.pos<t;)e.push(this.readSVarint());return e},readPackedBoolean:function(){for(var t=this.readVarint()+this.pos,e=[];this.pos<t;)e.push(this.readBoolean());return e},readPackedFloat:function(){for(var t=this.readVarint()+this.pos,e=[];this.pos<t;)e.push(this.readFloat());return e},readPackedDouble:function(){for(var t=this.readVarint()+this.pos,e=[];this.pos<t;)e.push(this.readDouble());return e},readPackedFixed32:function(){for(var t=this.readVarint()+this.pos,e=[];this.pos<t;)e.push(this.readFixed32());return e},readPackedSFixed32:function(){for(var t=this.readVarint()+this.pos,e=[];this.pos<t;)e.push(this.readSFixed32());return e},readPackedFixed64:function(){for(var t=this.readVarint()+this.pos,e=[];this.pos<t;)e.push(this.readFixed64());return e},readPackedSFixed64:function(){for(var t=this.readVarint()+this.pos,e=[];this.pos<t;)e.push(this.readSFixed64());return e},skip:function(t){var e=7&t;if(e===n.Varint)for(;this.buf[this.pos++]>127;);else if(e===n.Bytes)this.pos=this.readVarint()+this.pos;else if(e===n.Fixed32)this.pos+=4;else{if(e!==n.Fixed64)throw new Error(\"Unimplemented type: \"+e);this.pos+=8}},writeTag:function(t,e){this.writeVarint(t<<3|e)},realloc:function(t){for(var e=this.length||16;e<this.pos+t;)e*=2;if(e!==this.length){var r=new m(e);this.buf.copy(r),this.buf=r,this.length=e}},finish:function(){return this.length=this.pos,this.pos=0,this.buf.slice(0,this.length)},writeFixed32:function(t){this.realloc(4),this.buf.writeUInt32LE(t,this.pos),this.pos+=4},writeSFixed32:function(t){this.realloc(4),this.buf.writeInt32LE(t,this.pos),this.pos+=4},writeFixed64:function(t){this.realloc(8),this.buf.writeInt32LE(-1&t,this.pos),this.buf.writeUInt32LE(Math.floor(t*y),this.pos+4),this.pos+=8},writeSFixed64:function(t){this.realloc(8),this.buf.writeInt32LE(-1&t,this.pos),this.buf.writeInt32LE(Math.floor(t*y),this.pos+4),this.pos+=8},writeVarint:function(t){return t=+t,t>268435455?void o(t,this):(this.realloc(4),this.buf[this.pos++]=127&t|(t>127?128:0),void(127>=t||(this.buf[this.pos++]=127&(t>>>=7)|(t>127?128:0),127>=t||(this.buf[this.pos++]=127&(t>>>=7)|(t>127?128:0),127>=t||(this.buf[this.pos++]=t>>>7&127)))))},writeSVarint:function(t){this.writeVarint(0>t?2*-t-1:2*t)},writeBoolean:function(t){this.writeVarint(Boolean(t))},writeString:function(t){t=String(t);var e=m.byteLength(t);this.writeVarint(e),this.realloc(e),this.buf.write(t,this.pos),this.pos+=e},writeFloat:function(t){this.realloc(4),this.buf.writeFloatLE(t,this.pos),this.pos+=4},writeDouble:function(t){this.realloc(8),this.buf.writeDoubleLE(t,this.pos),this.pos+=8},writeBytes:function(t){var e=t.length;this.writeVarint(e),this.realloc(e);for(var r=0;e>r;r++)this.buf[this.pos++]=t[r]},writeRawMessage:function(t,e){this.pos++;var r=this.pos;t(e,this);var n=this.pos-r;n>=128&&a(r,n,this),this.pos=r-1,this.writeVarint(n),this.pos+=n},writeMessage:function(t,e,r){this.writeTag(t,n.Bytes),this.writeRawMessage(e,r)},writePackedVarint:function(t,e){this.writeMessage(t,s,e)},writePackedSVarint:function(t,e){this.writeMessage(t,l,e)},writePackedBoolean:function(t,e){this.writeMessage(t,h,e)},writePackedFloat:function(t,e){this.writeMessage(t,u,e)},writePackedDouble:function(t,e){this.writeMessage(t,c,e)},writePackedFixed32:function(t,e){this.writeMessage(t,f,e)},writePackedSFixed32:function(t,e){this.writeMessage(t,d,e)},writePackedFixed64:function(t,e){this.writeMessage(t,p,e)},writePackedSFixed64:function(t,e){this.writeMessage(t,v,e)},writeBytesField:function(t,e){this.writeTag(t,n.Bytes),this.writeBytes(e)},writeFixed32Field:function(t,e){this.writeTag(t,n.Fixed32),this.writeFixed32(e)},writeSFixed32Field:function(t,e){this.writeTag(t,n.Fixed32),this.writeSFixed32(e)},writeFixed64Field:function(t,e){this.writeTag(t,n.Fixed64),this.writeFixed64(e)},writeSFixed64Field:function(t,e){this.writeTag(t,n.Fixed64),this.writeSFixed64(e)},writeVarintField:function(t,e){this.writeTag(t,n.Varint),this.writeVarint(e)},writeSVarintField:function(t,e){this.writeTag(t,n.Varint),this.writeSVarint(e)},writeStringField:function(t,e){this.writeTag(t,n.Bytes),this.writeString(e)},writeFloatField:function(t,e){this.writeTag(t,n.Fixed32),this.writeFloat(e)},writeDoubleField:function(t,e){this.writeTag(t,n.Fixed64),this.writeDouble(e)},writeBooleanField:function(t,e){this.writeVarintField(t,Boolean(e))}}}).call(this,\"undefined\"!=typeof global?global:\"undefined\"!=typeof self?self:\"undefined\"!=typeof window?window:{})},{\"./buffer\":401}],403:[function(t,e,r){arguments[4][55][0].apply(r,arguments)},{dup:55}],404:[function(t,e,r){\"use strict\";function n(t,e){this.x=t,this.y=e}e.exports=n,n.prototype={clone:function(){return new n(this.x,this.y)},add:function(t){return this.clone()._add(t)},sub:function(t){return this.clone()._sub(t)},mult:function(t){return this.clone()._mult(t)},div:function(t){return this.clone()._div(t)},rotate:function(t){return this.clone()._rotate(t)},matMult:function(t){return this.clone()._matMult(t)},unit:function(){return this.clone()._unit()},perp:function(){return this.clone()._perp()},round:function(){return this.clone()._round()},mag:function(){return Math.sqrt(this.x*this.x+this.y*this.y)},equals:function(t){return this.x===t.x&&this.y===t.y},dist:function(t){return Math.sqrt(this.distSqr(t))},distSqr:function(t){var e=t.x-this.x,r=t.y-this.y;return e*e+r*r},angle:function(){return Math.atan2(this.y,this.x)},angleTo:function(t){return Math.atan2(this.y-t.y,this.x-t.x)},angleWith:function(t){return this.angleWithSep(t.x,t.y)},angleWithSep:function(t,e){return Math.atan2(this.x*e-this.y*t,this.x*t+this.y*e)},_matMult:function(t){var e=t[0]*this.x+t[1]*this.y,r=t[2]*this.x+t[3]*this.y;return this.x=e,this.y=r,this},_add:function(t){return this.x+=t.x,this.y+=t.y,this},_sub:function(t){return this.x-=t.x,this.y-=t.y,this},_mult:function(t){return this.x*=t,this.y*=t,this},_div:function(t){return this.x/=t,this.y/=t,this},_unit:function(){return this._div(this.mag()),this},_perp:function(){var t=this.y;return this.y=this.x,this.x=-t,this},_rotate:function(t){var e=Math.cos(t),r=Math.sin(t),n=e*this.x-r*this.y,i=r*this.x+e*this.y;return this.x=n,this.y=i,this},_round:function(){return this.x=Math.round(this.x),this.y=Math.round(this.y),this}},n.convert=function(t){return t instanceof n?t:Array.isArray(t)?new n(t[0],t[1]):t}},{}],405:[function(e,r,n){void function(e,i){\"function\"==typeof t&&t.amd?t(i):\"object\"==typeof n?r.exports=i():e.resolveUrl=i()}(this,function(){function t(){var t=arguments.length;if(0===t)throw new Error(\"resolveUrl requires at least one argument; got none.\");var e=document.createElement(\"base\");if(e.href=arguments[0],1===t)return e.href;var r=document.getElementsByTagName(\"head\")[0];r.insertBefore(e,r.firstChild);for(var n,i=document.createElement(\"a\"),o=1;t>o;o++)i.href=arguments[o],n=i.href,e.href=n;return r.removeChild(e),n}return t})},{}],406:[function(t,e,r){\"use strict\";function n(t,e,r){r=r||{},this.w=t||64,this.h=e||64,this.autoResize=!!r.autoResize,this.shelves=[],this.stats={},this.count=function(t){this.stats[t]=(0|this.stats[t])+1}}function i(t,e,r){this.x=0,this.y=t,this.w=this.free=e,this.h=r}e.exports=n,n.prototype.pack=function(t,e){t=[].concat(t),e=e||{};for(var r,n,i,o=[],a=0;a<t.length;a++)if(r=t[a].w||t[a].width,n=t[a].h||t[a].height,r&&n){if(i=this.packOne(r,n),!i)continue;e.inPlace&&(t[a].x=i.x,t[a].y=i.y),o.push(i)}return o},n.prototype.packOne=function(t,e){for(var r,n,o=0,a={shelf:-1,waste:1/0},s=0;s<this.shelves.length;s++){if(r=this.shelves[s],o+=r.h,e===r.h&&t<=r.free)return this.count(e),r.alloc(t,e);e>r.h||t>r.free||e<r.h&&t<=r.free&&(n=r.h-e,n<a.waste&&(a.waste=n,a.shelf=s))}if(-1!==a.shelf)return r=this.shelves[a.shelf],this.count(e),r.alloc(t,e);if(e<=this.h-o&&t<=this.w)return r=new i(o,this.w,e),this.shelves.push(r),this.count(e),r.alloc(t,e);if(this.autoResize){var l,u,c,h;return l=u=this.h,c=h=this.w,(l>=c||t>c)&&(h=2*Math.max(t,c)),(c>l||e>l)&&(u=2*Math.max(e,l)),this.resize(h,u),this.packOne(t,e)}return null},n.prototype.clear=function(){this.shelves=[],this.stats={}},n.prototype.resize=function(t,e){if(t<this.w||e<this.h)return!1;this.w=t,this.h=e;for(var r=0;r<this.shelves.length;r++)this.shelves[r].resize(t);return!0},i.prototype.alloc=function(t,e){if(t>this.free||e>this.h)return null;var r=this.x;return this.x+=t,this.free-=t,{x:r,y:this.y,w:t,h:e,width:t,height:e}},i.prototype.resize=function(t){return t<this.w?!1:(this.free+=t-this.w,this.w=t,!0)}},{}],407:[function(t,e,r){\"use strict\";function n(t){return new i(t)}function i(t){this.options=d(Object.create(this.options),t),this.trees=new Array(this.options.maxZoom+1)}function o(t,e,r,n){return{x:t,y:e,zoom:1/0,id:n,numPoints:r}}function a(t,e){var r=t.geometry.coordinates;return o(u(r[0]),c(r[1]),1,e)}function s(t){return{type:\"Feature\",properties:l(t),geometry:{type:\"Point\",coordinates:[h(t.x),f(t.y)]}}}function l(t){var e=t.numPoints,r=e>=1e4?Math.round(e/1e3)+\"k\":e>=1e3?Math.round(e/100)/10+\"k\":e;return{cluster:!0,point_count:e,point_count_abbreviated:r}}function u(t){return t/360+.5}function c(t){var e=Math.sin(t*Math.PI/180),r=.5-.25*Math.log((1+e)/(1-e))/Math.PI;return 0>r?0:r>1?1:r}function h(t){return 360*(t-.5)}function f(t){var e=(180-360*t)*Math.PI/180;return 360*Math.atan(Math.exp(e))/Math.PI-90}function d(t,e){for(var r in e)t[r]=e[r];return t}function p(t){return t.x}function v(t){return t.y}var m=t(\"kdbush\");e.exports=n,i.prototype={options:{minZoom:0,maxZoom:16,radius:40,extent:512,nodeSize:64,log:!1},load:function(t){var e=this.options.log;e&&console.time(\"total time\");var r=\"prepare \"+t.length+\" points\";e&&console.time(r),this.points=t;var n=t.map(a);e&&console.timeEnd(r);for(var i=this.options.maxZoom;i>=this.options.minZoom;i--){var o=+Date.now();this.trees[i+1]=m(n,p,v,this.options.nodeSize,Float32Array),n=this._cluster(n,i),e&&console.log(\"z%d: %d clusters in %dms\",i,n.length,+Date.now()-o)}return this.trees[this.options.minZoom]=m(n,p,v,this.options.nodeSize,Float32Array),e&&console.timeEnd(\"total time\"),this},getClusters:function(t,e){for(var r=this.trees[this._limitZoom(e)],n=r.range(u(t[0]),c(t[3]),u(t[2]),c(t[1])),i=[],o=0;o<n.length;o++){var a=r.points[n[o]];i.push(-1!==a.id?this.points[a.id]:s(a))}return i},getTile:function(t,e,r){var n=Math.pow(2,t),i=this.options.extent,o=this.options.radius/i,a=this.trees[this._limitZoom(t)],s=a.range((e-o)/n,(r-o)/n,(e+1+o)/n,(r+1+o)/n);if(!s.length)return null;for(var u={features:[]},c=0;c<s.length;c++){var h=a.points[s[c]],f={type:1,geometry:[[Math.round(i*(h.x*n-e)),Math.round(i*(h.y*n-r))]],tags:-1!==h.id?this.points[h.id].properties:l(h)};u.features.push(f)}return u},_limitZoom:function(t){return Math.max(this.options.minZoom,Math.min(t,this.options.maxZoom+1))},_cluster:function(t,e){for(var r=[],n=this.options.radius/(this.options.extent*Math.pow(2,e)),i=0;i<t.length;i++){var a=t[i];if(!(a.zoom<=e)){a.zoom=e;for(var s=this.trees[e+1],l=s.within(a.x,a.y,n),u=!1,c=a.numPoints,h=a.x*c,f=a.y*c,d=0;d<l.length;d++){var p=s.points[l[d]];e<p.zoom&&(u=!0,p.zoom=e,h+=p.x*p.numPoints,f+=p.y*p.numPoints,c+=p.numPoints)}r.push(u?o(h/c,f/c,c,-1):a)}}return r}}},{kdbush:408}],408:[function(t,e,r){\"use strict\";function n(t,e,r,n,o){return new i(t,e,r,n,o)}function i(t,e,r,n,i){e=e||o,r=r||a,i=i||Array,this.nodeSize=n||64,this.points=t,this.ids=new i(t.length),this.coords=new i(2*t.length);for(var l=0;l<t.length;l++)this.ids[l]=l,this.coords[2*l]=e(t[l]),this.coords[2*l+1]=r(t[l]);s(this.ids,this.coords,this.nodeSize,0,this.ids.length-1,0)}function o(t){return t[0]}function a(t){return t[1]}var s=t(\"./sort\"),l=t(\"./range\"),u=t(\"./within\");e.exports=n,i.prototype={range:function(t,e,r,n){return l(this.ids,this.coords,t,e,r,n,this.nodeSize)},within:function(t,e,r){return u(this.ids,this.coords,t,e,r,this.nodeSize)}}},{\"./range\":409,\"./sort\":410,\"./within\":411}],409:[function(t,e,r){\"use strict\";function n(t,e,r,n,i,o,a){for(var s,l,u=[0,t.length-1,0],c=[];u.length;){var h=u.pop(),f=u.pop(),d=u.pop();if(a>=f-d)for(var p=d;f>=p;p++)s=e[2*p],l=e[2*p+1],s>=r&&i>=s&&l>=n&&o>=l&&c.push(t[p]);else{var v=Math.floor((d+f)/2);s=e[2*v],l=e[2*v+1],s>=r&&i>=s&&l>=n&&o>=l&&c.push(t[v]);var m=(h+1)%2;(0===h?s>=r:l>=n)&&(u.push(d),u.push(v-1),u.push(m)),(0===h?i>=s:o>=l)&&(u.push(v+1),u.push(f),u.push(m))}}return c}e.exports=n},{}],410:[function(t,e,r){\"use strict\";function n(t,e,r,o,a,s){if(!(r>=a-o)){var l=Math.floor((o+a)/2);i(t,e,l,o,a,s%2),n(t,e,r,o,l-1,s+1),n(t,e,r,l+1,a,s+1)}}function i(t,e,r,n,a,s){for(;a>n;){if(a-n>600){var l=a-n+1,u=r-n+1,c=Math.log(l),h=.5*Math.exp(2*c/3),f=.5*Math.sqrt(c*h*(l-h)/l)*(0>u-l/2?-1:1),d=Math.max(n,Math.floor(r-u*h/l+f)),p=Math.min(a,Math.floor(r+(l-u)*h/l+f));i(t,e,r,d,p,s)}var v=e[2*r+s],m=n,g=a;for(o(t,e,n,r),e[2*a+s]>v&&o(t,e,n,a);g>m;){for(o(t,e,m,g),m++,g--;e[2*m+s]<v;)m++;for(;e[2*g+s]>v;)g--}e[2*n+s]===v?o(t,e,n,g):(g++,o(t,e,g,a)),r>=g&&(n=g+1),g>=r&&(a=g-1)}}function o(t,e,r,n){a(t,r,n),a(e,2*r,2*n),a(e,2*r+1,2*n+1)}function a(t,e,r){var n=t[e];t[e]=t[r],t[r]=n}e.exports=n},{}],411:[function(t,e,r){\"use strict\";function n(t,e,r,n,o,a){for(var s=[0,t.length-1,0],l=[],u=o*o;s.length;){var c=s.pop(),h=s.pop(),f=s.pop();if(a>=h-f)for(var d=f;h>=d;d++)i(e[2*d],e[2*d+1],r,n)<=u&&l.push(t[d]);else{var p=Math.floor((f+h)/2),v=e[2*p],m=e[2*p+1];i(v,m,r,n)<=u&&l.push(t[p]);var g=(c+1)%2;(0===c?v>=r-o:m>=n-o)&&(s.push(f),s.push(p-1),s.push(g)),(0===c?r+o>=v:n+o>=m)&&(s.push(p+1),s.push(h),s.push(g))}}return l}function i(t,e,r,n){var i=t-r,o=e-n;return i*i+o*o}e.exports=n},{}],412:[function(t,e,r){function n(t,e,r,n){this.cx=3*t,this.bx=3*(r-t)-this.cx,this.ax=1-this.cx-this.bx,this.cy=3*e,this.by=3*(n-e)-this.cy,this.ay=1-this.cy-this.by,this.p1x=t,this.p1y=n,this.p2x=r,this.p2y=n}e.exports=n,n.prototype.sampleCurveX=function(t){return((this.ax*t+this.bx)*t+this.cx)*t},n.prototype.sampleCurveY=function(t){return((this.ay*t+this.by)*t+this.cy)*t},n.prototype.sampleCurveDerivativeX=function(t){return(3*this.ax*t+2*this.bx)*t+this.cx},n.prototype.solveCurveX=function(t,e){\"undefined\"==typeof e&&(e=1e-6);var r,n,i,o,a;for(i=t,a=0;8>a;a++){if(o=this.sampleCurveX(i)-t,Math.abs(o)<e)return i;var s=this.sampleCurveDerivativeX(i);if(Math.abs(s)<1e-6)break;i-=o/s}if(r=0,n=1,i=t,r>i)return r;if(i>n)return n;for(;n>r;){if(o=this.sampleCurveX(i),Math.abs(o-t)<e)return i;t>o?r=i:n=i,i=.5*(n-r)+r}return i},n.prototype.solve=function(t,e){return this.sampleCurveY(this.solveCurveX(t,e))}},{}],413:[function(t,e,r){e.exports.VectorTile=t(\"./lib/vectortile.js\"),e.exports.VectorTileFeature=t(\"./lib/vectortilefeature.js\"),e.exports.VectorTileLayer=t(\"./lib/vectortilelayer.js\")},{\"./lib/vectortile.js\":414,\"./lib/vectortilefeature.js\":415,\"./lib/vectortilelayer.js\":416}],414:[function(t,e,r){\"use strict\";function n(t,e){this.layers=t.readFields(i,{},e)}function i(t,e,r){if(3===t){var n=new o(r,r.readVarint()+r.pos);n.length&&(e[n.name]=n)}}var o=t(\"./vectortilelayer\");e.exports=n},{\"./vectortilelayer\":416}],415:[function(t,e,r){\"use strict\";function n(t,e,r,n,o){this.properties={},this.extent=r,this.type=0,this._pbf=t,this._geometry=-1,this._keys=n,this._values=o,t.readFields(i,this,e)}function i(t,e,r){1==t?e._id=r.readVarint():2==t?o(r,e):3==t?e.type=r.readVarint():4==t&&(e._geometry=r.pos)}function o(t,e){for(var r=t.readVarint()+t.pos;t.pos<r;){var n=e._keys[t.readVarint()],i=e._values[t.readVarint()];e.properties[n]=i}}function a(t){var e=t.length;if(1>=e)return[t];for(var r,n,i=[],o=0;e>o;o++){var a=s(t[o]);0!==a&&(void 0===n&&(n=0>a),n===0>a?(r&&i.push(r),r=[t[o]]):r.push(t[o]))}return r&&i.push(r),i}function s(t){for(var e,r,n=0,i=0,o=t.length,a=o-1;o>i;a=i++)e=t[i],r=t[a],n+=(r.x-e.x)*(e.y+r.y);return n}var l=t(\"point-geometry\");e.exports=n,n.types=[\"Unknown\",\"Point\",\"LineString\",\"Polygon\"],n.prototype.loadGeometry=function(){var t=this._pbf;t.pos=this._geometry;for(var e,r=t.readVarint()+t.pos,n=1,i=0,o=0,a=0,s=[];t.pos<r;){if(!i){var u=t.readVarint();n=7&u,i=u>>3}if(i--,1===n||2===n)o+=t.readSVarint(),a+=t.readSVarint(),1===n&&(e&&s.push(e),e=[]),e.push(new l(o,a));else{if(7!==n)throw new Error(\"unknown command \"+n);e&&e.push(e[0].clone())}}return e&&s.push(e),s},n.prototype.bbox=function(){var t=this._pbf;t.pos=this._geometry;for(var e=t.readVarint()+t.pos,r=1,n=0,i=0,o=0,a=1/0,s=-(1/0),l=1/0,u=-(1/0);t.pos<e;){if(!n){var c=t.readVarint();r=7&c,n=c>>3}if(n--,1===r||2===r)i+=t.readSVarint(),o+=t.readSVarint(),a>i&&(a=i),i>s&&(s=i),l>o&&(l=o),o>u&&(u=o);else if(7!==r)throw new Error(\"unknown command \"+r)}return[a,l,s,u]},n.prototype.toGeoJSON=function(t,e,r){function i(t){for(var e=0;e<t.length;e++){var r=t[e],n=180-360*(r.y+c)/l;t[e]=[360*(r.x+u)/l-180,360/Math.PI*Math.atan(Math.exp(n*Math.PI/180))-90]}}var o,s,l=this.extent*Math.pow(2,r),u=this.extent*t,c=this.extent*e,h=this.loadGeometry(),f=n.types[this.type];switch(this.type){case 1:var d=[];for(o=0;o<h.length;o++)d[o]=h[o][0];h=d,i(h);break;case 2:for(o=0;o<h.length;o++)i(h[o]);break;case 3:for(h=a(h),o=0;o<h.length;o++)for(s=0;s<h[o].length;s++)i(h[o][s])}1===h.length?h=h[0]:f=\"Multi\"+f;var p={type:\"Feature\",geometry:{type:f,coordinates:h},properties:this.properties};return\"_id\"in this&&(p.id=this._id),p}},{\"point-geometry\":404}],416:[function(t,e,r){\"use strict\";function n(t,e){this.version=1,this.name=null,this.extent=4096,this.length=0,this._pbf=t,this._keys=[],this._values=[],this._features=[],t.readFields(i,this,e),this.length=this._features.length}function i(t,e,r){15===t?e.version=r.readVarint():1===t?e.name=r.readString():5===t?e.extent=r.readVarint():2===t?e._features.push(r.pos):3===t?e._keys.push(r.readString()):4===t&&e._values.push(o(r))}function o(t){for(var e=null,r=t.readVarint()+t.pos;t.pos<r;){var n=t.readVarint()>>3;e=1===n?t.readString():2===n?t.readFloat():3===n?t.readDouble():4===n?t.readVarint64():5===n?t.readVarint():6===n?t.readSVarint():7===n?t.readBoolean():null}return e}var a=t(\"./vectortilefeature.js\");e.exports=n,n.prototype.feature=function(t){if(0>t||t>=this._features.length)throw new Error(\"feature index out of bounds\");this._pbf.pos=this._features[t];var e=this._pbf.readVarint()+this._pbf.pos;return new a(this._pbf,e,this.extent,this._keys,this._values)}},{\"./vectortilefeature.js\":415}],417:[function(t,e,r){function n(t){var e=[];for(var r in t.layers)e.push(o(t.layers[r]));var n=new c;return h.tile.write({layers:e},n),n.finish()}function i(t){var e={};for(var r in t)e[r]=new f(t[r].features),e[r].name=r;return n({layers:e})}function o(t){for(var e={name:t.name||\"\",version:t.version||1,extent:t.extent||4096,keys:[],values:[],features:[]},r={},n={},i=0;i<t.length;i++){var o=t.feature(i);o.geometry=l(o.loadGeometry());var a=[];for(var s in o.properties){var c=r[s];\"undefined\"==typeof c&&(e.keys.push(s),c=e.keys.length-1,r[s]=c);var h=u(o.properties[s]),f=n[h.key];\"undefined\"==typeof f&&(e.values.push(h),f=e.values.length-1,n[h.key]=f),a.push(c),a.push(f)}o.tags=a,e.features.push(o)}return e}function a(t,e){return(e<<3)+(7&t)}function s(t){return t<<1^t>>31}function l(t){for(var e=[],r=0,n=0,i=t.length,o=0;i>o;o++){var l=t[o];e.push(a(1,1));for(var u=0;u<l.length;u++){1===u&&e.push(a(2,l.length-1));var c=l[u].x-r,h=l[u].y-n;e.push(s(c),s(h)),r+=c,n+=h}}return e}function u(t){var e,r=typeof t;return e=\"string\"===r?{string_value:t}:\"boolean\"===r?{bool_value:t}:\"number\"===r?t!==(0|t)?{float_value:t}:0>t?{sint_value:t}:{uint_value:t}:{string_value:\"\"+t},e.key=r+\":\"+t,e}var c=t(\"pbf\"),h=t(\"./vector-tile-pb\"),f=t(\"./lib/geojson_wrapper\");e.exports=n,e.exports.fromVectorTileJs=n,e.exports.fromGeojsonVt=i,e.exports.GeoJSONWrapper=f},{\"./lib/geojson_wrapper\":418,\"./vector-tile-pb\":419,pbf:402}],418:[function(t,e,r){\"use strict\";function n(t){this.features=t,this.length=t.length}function i(t){this.type=t.type,this.rawGeometry=1===t.type?[t.geometry]:t.geometry,this.properties=t.tags,this.extent=4096}var o=t(\"point-geometry\"),a=t(\"vector-tile\").VectorTileFeature;e.exports=n,n.prototype.feature=function(t){return new i(this.features[t])},i.prototype.loadGeometry=function(){var t=this.rawGeometry;this.geometry=[];for(var e=0;e<t.length;e++){for(var r=t[e],n=[],i=0;i<r.length;i++)n.push(new o(r[i][0],r[i][1]));this.geometry.push(n)}return this.geometry},i.prototype.bbox=function(){this.geometry||this.loadGeometry();for(var t=this.geometry,e=1/0,r=-(1/0),n=1/0,i=-(1/0),o=0;o<t.length;o++)for(var a=t[o],s=0;s<a.length;s++){var l=a[s];e=Math.min(e,l.x),r=Math.max(r,l.x),n=Math.min(n,l.y),i=Math.max(i,l.y)}return[e,n,r,i]},i.prototype.toGeoJSON=a.prototype.toGeoJSON},{\"point-geometry\":404,\"vector-tile\":413}],419:[function(t,e,r){\"use strict\";function n(t,e){return t.readFields(i,{layers:[]},e)}function i(t,e,r){3===t&&e.layers.push(f(r,r.readVarint()+r.pos))}function o(t,e){var r;if(void 0!==t.layers)for(r=0;r<t.layers.length;r++)e.writeMessage(3,p,t.layers[r])}function a(t,e){return t.readFields(s,{},e)}function s(t,e,r){1===t?e.string_value=r.readString():2===t?e.float_value=r.readFloat():3===t?e.double_value=r.readDouble():4===t?e.int_value=r.readVarint():5===t?e.uint_value=r.readVarint():6===t?e.sint_value=r.readSVarint():7===t&&(e.bool_value=r.readBoolean())}function l(t,e){void 0!==t.string_value&&e.writeStringField(1,t.string_value),void 0!==t.float_value&&e.writeFloatField(2,t.float_value),void 0!==t.double_value&&e.writeDoubleField(3,t.double_value),void 0!==t.int_value&&e.writeVarintField(4,t.int_value),void 0!==t.uint_value&&e.writeVarintField(5,t.uint_value),void 0!==t.sint_value&&e.writeSVarintField(6,t.sint_value),void 0!==t.bool_value&&e.writeBooleanField(7,t.bool_value)}function u(t,e){var r=t.readFields(c,{},e);return void 0===r.type&&(r.type=\"Unknown\"),r}function c(t,e,r){1===t?e.id=r.readVarint():2===t?e.tags=r.readPackedVarint():3===t?e.type=r.readVarint():4===t&&(e.geometry=r.readPackedVarint())}function h(t,e){void 0!==t.id&&e.writeVarintField(1,t.id),void 0!==t.tags&&e.writePackedVarint(2,t.tags),void 0!==t.type&&e.writeVarintField(3,t.type),void 0!==t.geometry&&e.writePackedVarint(4,t.geometry)}function f(t,e){return t.readFields(d,{features:[],keys:[],values:[]},e)}function d(t,e,r){15===t?e.version=r.readVarint():1===t?e.name=r.readString():2===t?e.features.push(u(r,r.readVarint()+r.pos)):3===t?e.keys.push(r.readString()):4===t?e.values.push(a(r,r.readVarint()+r.pos)):5===t&&(e.extent=r.readVarint())}function p(t,e){void 0!==t.version&&e.writeVarintField(15,t.version),void 0!==t.name&&e.writeStringField(1,t.name);var r;if(void 0!==t.features)for(r=0;r<t.features.length;r++)e.writeMessage(2,h,t.features[r]);if(void 0!==t.keys)for(r=0;r<t.keys.length;r++)e.writeStringField(3,t.keys[r]);if(void 0!==t.values)for(r=0;r<t.values.length;r++)e.writeMessage(4,l,t.values[r]);void 0!==t.extent&&e.writeVarintField(5,t.extent)}var v=r.tile={read:n,write:o};v.GeomType={Unknown:0,Point:1,LineString:2,Polygon:3},v.value={read:a,write:l},v.feature={read:u,write:h},v.layer={read:f,write:p}},{}],420:[function(t,e,r){var n=arguments[3],i=arguments[4],o=arguments[5],a=JSON.stringify;e.exports=function(t,e){for(var r,s=Object.keys(o),l=0,u=s.length;u>l;l++){var c=s[l],h=o[c].exports;if(h===t||h&&h.default===t){r=c;break}}if(!r){r=Math.floor(Math.pow(16,8)*Math.random()).toString(16);for(var f={},l=0,u=s.length;u>l;l++){var c=s[l];f[c]=c}i[r]=[Function([\"require\",\"module\",\"exports\"],\"(\"+t+\")(self)\"),f]}var d=Math.floor(Math.pow(16,8)*Math.random()).toString(16),p={};p[r]=r,i[d]=[Function([\"require\"],\"var f = require(\"+ a(r) +\");(f.default ? f.default : f)(self);\"),p];var v=\"(\"+n+\")({\"+Object.keys(i).map(function(t){return a(t)+\":[\"+i[t][0]+\",\"+a(i[t][1])+\"]\"}).join(\",\")+\"},{},[\"+a(d)+\"])\",m=window.URL||window.webkitURL||window.mozURL||window.msURL,g=new Blob([v],{type:\"text/javascript\"});if(e&&e.bare)return g;var y=m.createObjectURL(g),b=new Worker(y);return\"function\"==typeof m.revokeObjectURL&&m.revokeObjectURL(y),b}},{}],421:[function(t,e,r){\"use strict\";function n(t,e){function r(t){var e=!1;return\"altKey\"in t&&(e=e||t.altKey!==v.alt,v.alt=!!t.altKey),\"shiftKey\"in t&&(e=e||t.shiftKey!==v.shift,v.shift=!!t.shiftKey),\"ctrlKey\"in t&&(e=e||t.ctrlKey!==v.control,v.control=!!t.ctrlKey),\"metaKey\"in t&&(e=e||t.metaKey!==v.meta,v.meta=!!t.metaKey),e}function n(t,n){var o=i.x(n),a=i.y(n);\"buttons\"in n&&(t=0|n.buttons),(t!==f||o!==d||a!==p||r(n))&&(f=0|t,d=o||0,p=a||0,e(f,d,p,v))}function o(t){n(0,t)}function a(){(f||d||p||v.shift||v.alt||v.meta||v.control)&&(d=p=0,f=0,v.shift=v.alt=v.control=v.meta=!1,e(0,0,0,v))}function s(t){r(t)&&e(f,d,p,v)}function l(t){0===i.buttons(t)?n(0,t):n(f,t)}function u(t){n(f|i.buttons(t),t)}function c(t){n(f&~i.buttons(t),t)}function h(){m||(m=!0,t.addEventListener(\"mousemove\",l),t.addEventListener(\"mousedown\",u),t.addEventListener(\"mouseup\",c),t.addEventListener(\"mouseleave\",o),t.addEventListener(\"mouseenter\",o),t.addEventListener(\"mouseout\",o),t.addEventListener(\"mouseover\",o),t.addEventListener(\"blur\",a),t.addEventListener(\"keyup\",s),t.addEventListener(\"keydown\",s),t.addEventListener(\"keypress\",s),t!==window&&(window.addEventListener(\"blur\",a),window.addEventListener(\"keyup\",s),window.addEventListener(\"keydown\",s),window.addEventListener(\"keypress\",s)))}e||(e=t,t=window);var f=0,d=0,p=0,v={shift:!1,alt:!1,control:!1,meta:!1},m=!1;h();var g={element:t};return Object.defineProperties(g,{enabled:{get:function(){return m},set:function(t){t&&h()},enumerable:!0},buttons:{get:function(){return f},enumerable:!0},x:{get:function(){return d},enumerable:!0},y:{get:function(){return p},enumerable:!0},mods:{get:function(){return v},enumerable:!0}}),g}e.exports=n;var i=t(\"mouse-event\")},{\"mouse-event\":422}],422:[function(t,e,r){\"use strict\";function n(t){if(\"object\"==typeof t){if(\"buttons\"in t)return t.buttons;if(\"which\"in t){var e=t.which;if(2===e)return 4;if(3===e)return 2;if(e>0)return 1<<e-1}else if(\"button\"in t){var e=t.button;if(1===e)return 4;if(2===e)return 2;if(e>=0)return 1<<e}}return 0;\n}function i(t){return t.target||t.srcElement||window}function o(t){if(\"object\"==typeof t){if(\"offsetX\"in t)return t.offsetX;var e=i(t),r=e.getBoundingClientRect();return t.clientX-r.left}return 0}function a(t){if(\"object\"==typeof t){if(\"offsetY\"in t)return t.offsetY;var e=i(t),r=e.getBoundingClientRect();return t.clientY-r.top}return 0}r.buttons=n,r.element=i,r.x=o,r.y=a},{}],423:[function(t,e,r){e.exports=function(t,e){e||(e=[0,\"\"]),t=String(t);var r=parseFloat(t,10);return e[0]=r,e[1]=t.match(/[\\d.\\-\\+]*\\s*(.*)/)[1]||\"\",e}},{}],424:[function(t,e,r){\"use strict\";function n(t,e){var r=a(getComputedStyle(t).getPropertyValue(e));return r[0]*o(r[1],t)}function i(t,e){var r=document.createElement(\"div\");r.style[\"font-size\"]=\"128\"+t,e.appendChild(r);var i=n(r,\"font-size\")/128;return e.removeChild(r),i}function o(t,e){switch(e=e||document.body,t=(t||\"px\").trim().toLowerCase(),e!==window&&e!==document||(e=document.body),t){case\"%\":return e.clientHeight/100;case\"ch\":case\"ex\":return i(t,e);case\"em\":return n(e,\"font-size\");case\"rem\":return n(document.body,\"font-size\");case\"vw\":return window.innerWidth/100;case\"vh\":return window.innerHeight/100;case\"vmin\":return Math.min(window.innerWidth,window.innerHeight)/100;case\"vmax\":return Math.max(window.innerWidth,window.innerHeight)/100;case\"in\":return s;case\"cm\":return s/2.54;case\"mm\":return s/25.4;case\"pt\":return s/72;case\"pc\":return s/6}return 1}var a=t(\"parse-unit\");e.exports=o;var s=96},{\"parse-unit\":423}],425:[function(t,e,r){\"use strict\";function n(t,e,r){\"function\"==typeof t&&(r=!!e,e=t,t=window);var n=i(\"ex\",t),o=function(t){r&&t.preventDefault();var i=t.deltaX||0,o=t.deltaY||0,a=t.deltaZ||0,s=t.deltaMode,l=1;switch(s){case 1:l=n;break;case 2:l=window.innerHeight}return i*=l,o*=l,a*=l,i||o||a?e(i,o,a):void 0};return t.addEventListener(\"wheel\",o),o}var i=t(\"to-px\");e.exports=n},{\"to-px\":424}],426:[function(t,e,r){\"use strict\";var n=t(\"cwise/lib/wrapper\")({args:[\"index\",\"array\",\"scalar\"],pre:{body:\"{}\",args:[],thisVars:[],localVars:[]},body:{body:\"{_inline_1_arg1_=_inline_1_arg2_.apply(void 0,_inline_1_arg0_)}\",args:[{name:\"_inline_1_arg0_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_1_arg1_\",lvalue:!0,rvalue:!1,count:1},{name:\"_inline_1_arg2_\",lvalue:!1,rvalue:!0,count:1}],thisVars:[],localVars:[]},post:{body:\"{}\",args:[],thisVars:[],localVars:[]},debug:!1,funcName:\"cwise\",blockSize:64});e.exports=function(t,e){return n(t,e),t}},{\"cwise/lib/wrapper\":118}],427:[function(t,e,r){\"use strict\";function n(t,e){switch(e.length){case 0:break;case 1:t[0]=1/e[0];break;case 4:i(t,e);break;case 9:o(t,e);break;case 16:a(t,e);break;default:throw new Error(\"currently supports matrices up to 4x4\")}return t}e.exports=n;var i=t(\"gl-mat2/invert\"),o=t(\"gl-mat3/invert\"),a=t(\"gl-mat4/invert\")},{\"gl-mat2/invert\":428,\"gl-mat3/invert\":136,\"gl-mat4/invert\":143}],428:[function(t,e,r){function n(t,e){var r=e[0],n=e[1],i=e[2],o=e[3],a=r*o-i*n;return a?(a=1/a,t[0]=o*a,t[1]=-n*a,t[2]=-i*a,t[3]=r*a,t):null}e.exports=n},{}],429:[function(t,e,r){\"use strict\";function n(t,e){var r=Math.floor(e),n=e-r,i=r>=0&&r<t.shape[0],o=r+1>=0&&r+1<t.shape[0],a=i?+t.get(r):0,s=o?+t.get(r+1):0;return(1-n)*a+n*s}function i(t,e,r){var n=Math.floor(e),i=e-n,o=n>=0&&n<t.shape[0],a=n+1>=0&&n+1<t.shape[0],s=Math.floor(r),l=r-s,u=s>=0&&s<t.shape[1],c=s+1>=0&&s+1<t.shape[1],h=o&&u?t.get(n,s):0,f=o&&c?t.get(n,s+1):0,d=a&&u?t.get(n+1,s):0,p=a&&c?t.get(n+1,s+1):0;return(1-l)*((1-i)*h+i*d)+l*((1-i)*f+i*p)}function o(t,e,r,n){var i=Math.floor(e),o=e-i,a=i>=0&&i<t.shape[0],s=i+1>=0&&i+1<t.shape[0],l=Math.floor(r),u=r-l,c=l>=0&&l<t.shape[1],h=l+1>=0&&l+1<t.shape[1],f=Math.floor(n),d=n-f,p=f>=0&&f<t.shape[2],v=f+1>=0&&f+1<t.shape[2],m=a&&c&&p?t.get(i,l,f):0,g=a&&h&&p?t.get(i,l+1,f):0,y=s&&c&&p?t.get(i+1,l,f):0,b=s&&h&&p?t.get(i+1,l+1,f):0,x=a&&c&&v?t.get(i,l,f+1):0,_=a&&h&&v?t.get(i,l+1,f+1):0,w=s&&c&&v?t.get(i+1,l,f+1):0,M=s&&h&&v?t.get(i+1,l+1,f+1):0;return(1-d)*((1-u)*((1-o)*m+o*y)+u*((1-o)*g+o*b))+d*((1-u)*((1-o)*x+o*w)+u*((1-o)*_+o*M))}function a(t){var e,r,n=0|t.shape.length,i=new Array(n),o=new Array(n),a=new Array(n),s=new Array(n);for(e=0;n>e;++e)r=+arguments[e+1],i[e]=Math.floor(r),o[e]=r-i[e],a[e]=0<=i[e]&&i[e]<t.shape[e],s[e]=0<=i[e]+1&&i[e]+1<t.shape[e];var l,u,c,h=0;t:for(e=0;1<<n>e;++e){for(u=1,c=t.offset,l=0;n>l;++l)if(e&1<<l){if(!s[l])continue t;u*=o[l],c+=t.stride[l]*(i[l]+1)}else{if(!a[l])continue t;u*=1-o[l],c+=t.stride[l]*i[l]}h+=u*t.data[c]}return h}function s(t,e,r,s){switch(t.shape.length){case 0:return 0;case 1:return n(t,e);case 2:return i(t,e,r);case 3:return o(t,e,r,s);default:return a.apply(void 0,arguments)}}e.exports=s,e.exports.d1=n,e.exports.d2=i,e.exports.d3=o},{}],430:[function(t,e,r){\"use strict\";var n=t(\"ndarray-linear-interpolate\"),i=t(\"cwise/lib/wrapper\")({args:[\"index\",\"array\",\"scalar\",\"scalar\",\"scalar\"],pre:{body:\"{this_warped=new Array(_inline_9_arg4_)}\",args:[{name:\"_inline_9_arg0_\",lvalue:!1,rvalue:!1,count:0},{name:\"_inline_9_arg1_\",lvalue:!1,rvalue:!1,count:0},{name:\"_inline_9_arg2_\",lvalue:!1,rvalue:!1,count:0},{name:\"_inline_9_arg3_\",lvalue:!1,rvalue:!1,count:0},{name:\"_inline_9_arg4_\",lvalue:!1,rvalue:!0,count:1}],thisVars:[\"this_warped\"],localVars:[]},body:{body:\"{_inline_10_arg2_(this_warped,_inline_10_arg0_),_inline_10_arg1_=_inline_10_arg3_.apply(void 0,this_warped)}\",args:[{name:\"_inline_10_arg0_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_10_arg1_\",lvalue:!0,rvalue:!1,count:1},{name:\"_inline_10_arg2_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_10_arg3_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_10_arg4_\",lvalue:!1,rvalue:!1,count:0}],thisVars:[\"this_warped\"],localVars:[]},post:{body:\"{}\",args:[],thisVars:[],localVars:[]},debug:!1,funcName:\"warpND\",blockSize:64}),o=t(\"cwise/lib/wrapper\")({args:[\"index\",\"array\",\"scalar\",\"scalar\",\"scalar\"],pre:{body:\"{this_warped=[0]}\",args:[],thisVars:[\"this_warped\"],localVars:[]},body:{body:\"{_inline_13_arg2_(this_warped,_inline_13_arg0_),_inline_13_arg1_=_inline_13_arg3_(_inline_13_arg4_,this_warped[0])}\",args:[{name:\"_inline_13_arg0_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_13_arg1_\",lvalue:!0,rvalue:!1,count:1},{name:\"_inline_13_arg2_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_13_arg3_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_13_arg4_\",lvalue:!1,rvalue:!0,count:1}],thisVars:[\"this_warped\"],localVars:[]},post:{body:\"{}\",args:[],thisVars:[],localVars:[]},debug:!1,funcName:\"warp1D\",blockSize:64}),a=t(\"cwise/lib/wrapper\")({args:[\"index\",\"array\",\"scalar\",\"scalar\",\"scalar\"],pre:{body:\"{this_warped=[0,0]}\",args:[],thisVars:[\"this_warped\"],localVars:[]},body:{body:\"{_inline_16_arg2_(this_warped,_inline_16_arg0_),_inline_16_arg1_=_inline_16_arg3_(_inline_16_arg4_,this_warped[0],this_warped[1])}\",args:[{name:\"_inline_16_arg0_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_16_arg1_\",lvalue:!0,rvalue:!1,count:1},{name:\"_inline_16_arg2_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_16_arg3_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_16_arg4_\",lvalue:!1,rvalue:!0,count:1}],thisVars:[\"this_warped\"],localVars:[]},post:{body:\"{}\",args:[],thisVars:[],localVars:[]},debug:!1,funcName:\"warp2D\",blockSize:64}),s=t(\"cwise/lib/wrapper\")({args:[\"index\",\"array\",\"scalar\",\"scalar\",\"scalar\"],pre:{body:\"{this_warped=[0,0,0]}\",args:[],thisVars:[\"this_warped\"],localVars:[]},body:{body:\"{_inline_19_arg2_(this_warped,_inline_19_arg0_),_inline_19_arg1_=_inline_19_arg3_(_inline_19_arg4_,this_warped[0],this_warped[1],this_warped[2])}\",args:[{name:\"_inline_19_arg0_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_19_arg1_\",lvalue:!0,rvalue:!1,count:1},{name:\"_inline_19_arg2_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_19_arg3_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_19_arg4_\",lvalue:!1,rvalue:!0,count:1}],thisVars:[\"this_warped\"],localVars:[]},post:{body:\"{}\",args:[],thisVars:[],localVars:[]},debug:!1,funcName:\"warp3D\",blockSize:64});e.exports=function(t,e,r){switch(e.shape.length){case 1:o(t,r,n.d1,e);break;case 2:a(t,r,n.d2,e);break;case 3:s(t,r,n.d3,e);break;default:i(t,r,n.bind(void 0,e),e.shape.length)}return t}},{\"cwise/lib/wrapper\":118,\"ndarray-linear-interpolate\":429}],431:[function(t,e,r){\"use strict\";function n(t,e,r){var n=e.dimension,a=o([],r);return i(t,e,function(t,e){for(var r=0;n>r;++r){t[r]=a[(n+1)*n+r];for(var i=0;n>i;++i)t[r]+=a[(n+1)*i+r]*e[i]}for(var o=a[(n+1)*(n+1)-1],i=0;n>i;++i)o+=a[(n+1)*i+n]*e[i];for(var s=1/o,r=0;n>r;++r)t[r]*=s;return t}),t}var i=t(\"ndarray-warp\"),o=t(\"gl-matrix-invert\");e.exports=n},{\"gl-matrix-invert\":427,\"ndarray-warp\":430}],432:[function(t,e,r){\"use strict\";function n(t){if(!t)return s;for(var e=0;e<t.args.length;++e){var r=t.args[e];0===e?t.args[e]={name:r,lvalue:!0,rvalue:!!t.rvalue,count:t.count||1}:t.args[e]={name:r,lvalue:!1,rvalue:!0,count:1}}return t.thisVars||(t.thisVars=[]),t.localVars||(t.localVars=[]),t}function i(t){return a({args:t.args,pre:n(t.pre),body:n(t.body),post:n(t.proc),funcName:t.funcName})}function o(t){for(var e=[],r=0;r<t.args.length;++r)e.push(\"a\"+r);var n=new Function(\"P\",[\"return function \",t.funcName,\"_ndarrayops(\",e.join(\",\"),\") {P(\",e.join(\",\"),\");return a0}\"].join(\"\"));return n(i(t))}var a=t(\"cwise-compiler\"),s={body:\"\",args:[],thisVars:[],localVars:[]},l={add:\"+\",sub:\"-\",mul:\"*\",div:\"/\",mod:\"%\",band:\"&\",bor:\"|\",bxor:\"^\",lshift:\"<<\",rshift:\">>\",rrshift:\">>>\"};!function(){for(var t in l){var e=l[t];r[t]=o({args:[\"array\",\"array\",\"array\"],body:{args:[\"a\",\"b\",\"c\"],body:\"a=b\"+e+\"c\"},funcName:t}),r[t+\"eq\"]=o({args:[\"array\",\"array\"],body:{args:[\"a\",\"b\"],body:\"a\"+e+\"=b\"},rvalue:!0,funcName:t+\"eq\"}),r[t+\"s\"]=o({args:[\"array\",\"array\",\"scalar\"],body:{args:[\"a\",\"b\",\"s\"],body:\"a=b\"+e+\"s\"},funcName:t+\"s\"}),r[t+\"seq\"]=o({args:[\"array\",\"scalar\"],body:{args:[\"a\",\"s\"],body:\"a\"+e+\"=s\"},rvalue:!0,funcName:t+\"seq\"})}}();var u={not:\"!\",bnot:\"~\",neg:\"-\",recip:\"1.0/\"};!function(){for(var t in u){var e=u[t];r[t]=o({args:[\"array\",\"array\"],body:{args:[\"a\",\"b\"],body:\"a=\"+e+\"b\"},funcName:t}),r[t+\"eq\"]=o({args:[\"array\"],body:{args:[\"a\"],body:\"a=\"+e+\"a\"},rvalue:!0,count:2,funcName:t+\"eq\"})}}();var c={and:\"&&\",or:\"||\",eq:\"===\",neq:\"!==\",lt:\"<\",gt:\">\",leq:\"<=\",geq:\">=\"};!function(){for(var t in c){var e=c[t];r[t]=o({args:[\"array\",\"array\",\"array\"],body:{args:[\"a\",\"b\",\"c\"],body:\"a=b\"+e+\"c\"},funcName:t}),r[t+\"s\"]=o({args:[\"array\",\"array\",\"scalar\"],body:{args:[\"a\",\"b\",\"s\"],body:\"a=b\"+e+\"s\"},funcName:t+\"s\"}),r[t+\"eq\"]=o({args:[\"array\",\"array\"],body:{args:[\"a\",\"b\"],body:\"a=a\"+e+\"b\"},rvalue:!0,count:2,funcName:t+\"eq\"}),r[t+\"seq\"]=o({args:[\"array\",\"scalar\"],body:{args:[\"a\",\"s\"],body:\"a=a\"+e+\"s\"},rvalue:!0,count:2,funcName:t+\"seq\"})}}();var h=[\"abs\",\"acos\",\"asin\",\"atan\",\"ceil\",\"cos\",\"exp\",\"floor\",\"log\",\"round\",\"sin\",\"sqrt\",\"tan\"];!function(){for(var t=0;t<h.length;++t){var e=h[t];r[e]=o({args:[\"array\",\"array\"],pre:{args:[],body:\"this_f=Math.\"+e,thisVars:[\"this_f\"]},body:{args:[\"a\",\"b\"],body:\"a=this_f(b)\",thisVars:[\"this_f\"]},funcName:e}),r[e+\"eq\"]=o({args:[\"array\"],pre:{args:[],body:\"this_f=Math.\"+e,thisVars:[\"this_f\"]},body:{args:[\"a\"],body:\"a=this_f(a)\",thisVars:[\"this_f\"]},rvalue:!0,count:2,funcName:e+\"eq\"})}}();var f=[\"max\",\"min\",\"atan2\",\"pow\"];!function(){for(var t=0;t<f.length;++t){var e=f[t];r[e]=o({args:[\"array\",\"array\",\"array\"],pre:{args:[],body:\"this_f=Math.\"+e,thisVars:[\"this_f\"]},body:{args:[\"a\",\"b\",\"c\"],body:\"a=this_f(b,c)\",thisVars:[\"this_f\"]},funcName:e}),r[e+\"s\"]=o({args:[\"array\",\"array\",\"scalar\"],pre:{args:[],body:\"this_f=Math.\"+e,thisVars:[\"this_f\"]},body:{args:[\"a\",\"b\",\"c\"],body:\"a=this_f(b,c)\",thisVars:[\"this_f\"]},funcName:e+\"s\"}),r[e+\"eq\"]=o({args:[\"array\",\"array\"],pre:{args:[],body:\"this_f=Math.\"+e,thisVars:[\"this_f\"]},body:{args:[\"a\",\"b\"],body:\"a=this_f(a,b)\",thisVars:[\"this_f\"]},rvalue:!0,count:2,funcName:e+\"eq\"}),r[e+\"seq\"]=o({args:[\"array\",\"scalar\"],pre:{args:[],body:\"this_f=Math.\"+e,thisVars:[\"this_f\"]},body:{args:[\"a\",\"b\"],body:\"a=this_f(a,b)\",thisVars:[\"this_f\"]},rvalue:!0,count:2,funcName:e+\"seq\"})}}();var d=[\"atan2\",\"pow\"];!function(){for(var t=0;t<d.length;++t){var e=d[t];r[e+\"op\"]=o({args:[\"array\",\"array\",\"array\"],pre:{args:[],body:\"this_f=Math.\"+e,thisVars:[\"this_f\"]},body:{args:[\"a\",\"b\",\"c\"],body:\"a=this_f(c,b)\",thisVars:[\"this_f\"]},funcName:e+\"op\"}),r[e+\"ops\"]=o({args:[\"array\",\"array\",\"scalar\"],pre:{args:[],body:\"this_f=Math.\"+e,thisVars:[\"this_f\"]},body:{args:[\"a\",\"b\",\"c\"],body:\"a=this_f(c,b)\",thisVars:[\"this_f\"]},funcName:e+\"ops\"}),r[e+\"opeq\"]=o({args:[\"array\",\"array\"],pre:{args:[],body:\"this_f=Math.\"+e,thisVars:[\"this_f\"]},body:{args:[\"a\",\"b\"],body:\"a=this_f(b,a)\",thisVars:[\"this_f\"]},rvalue:!0,count:2,funcName:e+\"opeq\"}),r[e+\"opseq\"]=o({args:[\"array\",\"scalar\"],pre:{args:[],body:\"this_f=Math.\"+e,thisVars:[\"this_f\"]},body:{args:[\"a\",\"b\"],body:\"a=this_f(b,a)\",thisVars:[\"this_f\"]},rvalue:!0,count:2,funcName:e+\"opseq\"})}}(),r.any=a({args:[\"array\"],pre:s,body:{args:[{name:\"a\",lvalue:!1,rvalue:!0,count:1}],body:\"if(a){return true}\",localVars:[],thisVars:[]},post:{args:[],localVars:[],thisVars:[],body:\"return false\"},funcName:\"any\"}),r.all=a({args:[\"array\"],pre:s,body:{args:[{name:\"x\",lvalue:!1,rvalue:!0,count:1}],body:\"if(!x){return false}\",localVars:[],thisVars:[]},post:{args:[],localVars:[],thisVars:[],body:\"return true\"},funcName:\"all\"}),r.sum=a({args:[\"array\"],pre:{args:[],localVars:[],thisVars:[\"this_s\"],body:\"this_s=0\"},body:{args:[{name:\"a\",lvalue:!1,rvalue:!0,count:1}],body:\"this_s+=a\",localVars:[],thisVars:[\"this_s\"]},post:{args:[],localVars:[],thisVars:[\"this_s\"],body:\"return this_s\"},funcName:\"sum\"}),r.prod=a({args:[\"array\"],pre:{args:[],localVars:[],thisVars:[\"this_s\"],body:\"this_s=1\"},body:{args:[{name:\"a\",lvalue:!1,rvalue:!0,count:1}],body:\"this_s*=a\",localVars:[],thisVars:[\"this_s\"]},post:{args:[],localVars:[],thisVars:[\"this_s\"],body:\"return this_s\"},funcName:\"prod\"}),r.norm2squared=a({args:[\"array\"],pre:{args:[],localVars:[],thisVars:[\"this_s\"],body:\"this_s=0\"},body:{args:[{name:\"a\",lvalue:!1,rvalue:!0,count:2}],body:\"this_s+=a*a\",localVars:[],thisVars:[\"this_s\"]},post:{args:[],localVars:[],thisVars:[\"this_s\"],body:\"return this_s\"},funcName:\"norm2squared\"}),r.norm2=a({args:[\"array\"],pre:{args:[],localVars:[],thisVars:[\"this_s\"],body:\"this_s=0\"},body:{args:[{name:\"a\",lvalue:!1,rvalue:!0,count:2}],body:\"this_s+=a*a\",localVars:[],thisVars:[\"this_s\"]},post:{args:[],localVars:[],thisVars:[\"this_s\"],body:\"return Math.sqrt(this_s)\"},funcName:\"norm2\"}),r.norminf=a({args:[\"array\"],pre:{args:[],localVars:[],thisVars:[\"this_s\"],body:\"this_s=0\"},body:{args:[{name:\"a\",lvalue:!1,rvalue:!0,count:4}],body:\"if(-a>this_s){this_s=-a}else if(a>this_s){this_s=a}\",localVars:[],thisVars:[\"this_s\"]},post:{args:[],localVars:[],thisVars:[\"this_s\"],body:\"return this_s\"},funcName:\"norminf\"}),r.norm1=a({args:[\"array\"],pre:{args:[],localVars:[],thisVars:[\"this_s\"],body:\"this_s=0\"},body:{args:[{name:\"a\",lvalue:!1,rvalue:!0,count:3}],body:\"this_s+=a<0?-a:a\",localVars:[],thisVars:[\"this_s\"]},post:{args:[],localVars:[],thisVars:[\"this_s\"],body:\"return this_s\"},funcName:\"norm1\"}),r.sup=a({args:[\"array\"],pre:{body:\"this_h=-Infinity\",args:[],thisVars:[\"this_h\"],localVars:[]},body:{body:\"if(_inline_1_arg0_>this_h)this_h=_inline_1_arg0_\",args:[{name:\"_inline_1_arg0_\",lvalue:!1,rvalue:!0,count:2}],thisVars:[\"this_h\"],localVars:[]},post:{body:\"return this_h\",args:[],thisVars:[\"this_h\"],localVars:[]}}),r.inf=a({args:[\"array\"],pre:{body:\"this_h=Infinity\",args:[],thisVars:[\"this_h\"],localVars:[]},body:{body:\"if(_inline_1_arg0_<this_h)this_h=_inline_1_arg0_\",args:[{name:\"_inline_1_arg0_\",lvalue:!1,rvalue:!0,count:2}],thisVars:[\"this_h\"],localVars:[]},post:{body:\"return this_h\",args:[],thisVars:[\"this_h\"],localVars:[]}}),r.argmin=a({args:[\"index\",\"array\",\"shape\"],pre:{body:\"{this_v=Infinity;this_i=_inline_0_arg2_.slice(0)}\",args:[{name:\"_inline_0_arg0_\",lvalue:!1,rvalue:!1,count:0},{name:\"_inline_0_arg1_\",lvalue:!1,rvalue:!1,count:0},{name:\"_inline_0_arg2_\",lvalue:!1,rvalue:!0,count:1}],thisVars:[\"this_i\",\"this_v\"],localVars:[]},body:{body:\"{if(_inline_1_arg1_<this_v){this_v=_inline_1_arg1_;for(var _inline_1_k=0;_inline_1_k<_inline_1_arg0_.length;++_inline_1_k){this_i[_inline_1_k]=_inline_1_arg0_[_inline_1_k]}}}\",args:[{name:\"_inline_1_arg0_\",lvalue:!1,rvalue:!0,count:2},{name:\"_inline_1_arg1_\",lvalue:!1,rvalue:!0,count:2}],thisVars:[\"this_i\",\"this_v\"],localVars:[\"_inline_1_k\"]},post:{body:\"{return this_i}\",args:[],thisVars:[\"this_i\"],localVars:[]}}),r.argmax=a({args:[\"index\",\"array\",\"shape\"],pre:{body:\"{this_v=-Infinity;this_i=_inline_0_arg2_.slice(0)}\",args:[{name:\"_inline_0_arg0_\",lvalue:!1,rvalue:!1,count:0},{name:\"_inline_0_arg1_\",lvalue:!1,rvalue:!1,count:0},{name:\"_inline_0_arg2_\",lvalue:!1,rvalue:!0,count:1}],thisVars:[\"this_i\",\"this_v\"],localVars:[]},body:{body:\"{if(_inline_1_arg1_>this_v){this_v=_inline_1_arg1_;for(var _inline_1_k=0;_inline_1_k<_inline_1_arg0_.length;++_inline_1_k){this_i[_inline_1_k]=_inline_1_arg0_[_inline_1_k]}}}\",args:[{name:\"_inline_1_arg0_\",lvalue:!1,rvalue:!0,count:2},{name:\"_inline_1_arg1_\",lvalue:!1,rvalue:!0,count:2}],thisVars:[\"this_i\",\"this_v\"],localVars:[\"_inline_1_k\"]},post:{body:\"{return this_i}\",args:[],thisVars:[\"this_i\"],localVars:[]}}),r.random=o({args:[\"array\"],pre:{args:[],body:\"this_f=Math.random\",thisVars:[\"this_f\"]},body:{args:[\"a\"],body:\"a=this_f()\",thisVars:[\"this_f\"]},funcName:\"random\"}),r.assign=o({args:[\"array\",\"array\"],body:{args:[\"a\",\"b\"],body:\"a=b\"},funcName:\"assign\"}),r.assigns=o({args:[\"array\",\"scalar\"],body:{args:[\"a\",\"b\"],body:\"a=b\"},funcName:\"assigns\"}),r.equals=a({args:[\"array\",\"array\"],pre:s,body:{args:[{name:\"x\",lvalue:!1,rvalue:!0,count:1},{name:\"y\",lvalue:!1,rvalue:!0,count:1}],body:\"if(x!==y){return false}\",localVars:[],thisVars:[]},post:{args:[],localVars:[],thisVars:[],body:\"return true\"},funcName:\"equals\"})},{\"cwise-compiler\":115}],433:[function(t,e,r){function n(t,e){return t[0]-e[0]}function i(){var t,e=this.stride,r=new Array(e.length);for(t=0;t<r.length;++t)r[t]=[Math.abs(e[t]),t];r.sort(n);var i=new Array(r.length);for(t=0;t<i.length;++t)i[t]=r[t][1];return i}function o(t,e){var r=[\"View\",e,\"d\",t].join(\"\");0>e&&(r=\"View_Nil\"+t);var n=\"generic\"===t;if(-1===e){var o=\"function \"+r+\"(a){this.data=a;};var proto=\"+r+\".prototype;proto.dtype='\"+t+\"';proto.index=function(){return -1};proto.size=0;proto.dimension=-1;proto.shape=proto.stride=proto.order=[];proto.lo=proto.hi=proto.transpose=proto.step=function(){return new \"+r+\"(this.data);};proto.get=proto.set=function(){};proto.pick=function(){return null};return function construct_\"+r+\"(a){return new \"+r+\"(a);}\",a=new Function(o);return a()}if(0===e){var o=\"function \"+r+\"(a,d) {this.data = a;this.offset = d};var proto=\"+r+\".prototype;proto.dtype='\"+t+\"';proto.index=function(){return this.offset};proto.dimension=0;proto.size=1;proto.shape=proto.stride=proto.order=[];proto.lo=proto.hi=proto.transpose=proto.step=function \"+r+\"_copy() {return new \"+r+\"(this.data,this.offset)};proto.pick=function \"+r+\"_pick(){return TrivialArray(this.data);};proto.valueOf=proto.get=function \"+r+\"_get(){return \"+(n?\"this.data.get(this.offset)\":\"this.data[this.offset]\")+\"};proto.set=function \"+r+\"_set(v){return \"+(n?\"this.data.set(this.offset,v)\":\"this.data[this.offset]=v\")+\"};return function construct_\"+r+\"(a,b,c,d){return new \"+r+\"(a,d)}\",a=new Function(\"TrivialArray\",o);return a(h[t][0])}var o=[\"'use strict'\"],s=l(e),u=s.map(function(t){return\"i\"+t}),c=\"this.offset+\"+s.map(function(t){return\"this.stride[\"+t+\"]*i\"+t}).join(\"+\"),f=s.map(function(t){return\"b\"+t}).join(\",\"),d=s.map(function(t){return\"c\"+t}).join(\",\");o.push(\"function \"+r+\"(a,\"+f+\",\"+d+\",d){this.data=a\",\"this.shape=[\"+f+\"]\",\"this.stride=[\"+d+\"]\",\"this.offset=d|0}\",\"var proto=\"+r+\".prototype\",\"proto.dtype='\"+t+\"'\",\"proto.dimension=\"+e),o.push(\"Object.defineProperty(proto,'size',{get:function \"+r+\"_size(){return \"+s.map(function(t){return\"this.shape[\"+t+\"]\"}).join(\"*\"),\"}})\"),1===e?o.push(\"proto.order=[0]\"):(o.push(\"Object.defineProperty(proto,'order',{get:\"),4>e?(o.push(\"function \"+r+\"_order(){\"),2===e?o.push(\"return (Math.abs(this.stride[0])>Math.abs(this.stride[1]))?[1,0]:[0,1]}})\"):3===e&&o.push(\"var s0=Math.abs(this.stride[0]),s1=Math.abs(this.stride[1]),s2=Math.abs(this.stride[2]);if(s0>s1){if(s1>s2){return [2,1,0];}else if(s0>s2){return [1,2,0];}else{return [1,0,2];}}else if(s0>s2){return [2,0,1];}else if(s2>s1){return [0,1,2];}else{return [0,2,1];}}})\")):o.push(\"ORDER})\")),o.push(\"proto.set=function \"+r+\"_set(\"+u.join(\",\")+\",v){\"),n?o.push(\"return this.data.set(\"+c+\",v)}\"):o.push(\"return this.data[\"+c+\"]=v}\"),o.push(\"proto.get=function \"+r+\"_get(\"+u.join(\",\")+\"){\"),n?o.push(\"return this.data.get(\"+c+\")}\"):o.push(\"return this.data[\"+c+\"]}\"),o.push(\"proto.index=function \"+r+\"_index(\",u.join(),\"){return \"+c+\"}\"),o.push(\"proto.hi=function \"+r+\"_hi(\"+u.join(\",\")+\"){return new \"+r+\"(this.data,\"+s.map(function(t){return[\"(typeof i\",t,\"!=='number'||i\",t,\"<0)?this.shape[\",t,\"]:i\",t,\"|0\"].join(\"\")}).join(\",\")+\",\"+s.map(function(t){return\"this.stride[\"+t+\"]\"}).join(\",\")+\",this.offset)}\");var p=s.map(function(t){return\"a\"+t+\"=this.shape[\"+t+\"]\"}),v=s.map(function(t){return\"c\"+t+\"=this.stride[\"+t+\"]\"});o.push(\"proto.lo=function \"+r+\"_lo(\"+u.join(\",\")+\"){var b=this.offset,d=0,\"+p.join(\",\")+\",\"+v.join(\",\"));for(var m=0;e>m;++m)o.push(\"if(typeof i\"+m+\"==='number'&&i\"+m+\">=0){d=i\"+m+\"|0;b+=c\"+m+\"*d;a\"+m+\"-=d}\");o.push(\"return new \"+r+\"(this.data,\"+s.map(function(t){return\"a\"+t}).join(\",\")+\",\"+s.map(function(t){return\"c\"+t}).join(\",\")+\",b)}\"),o.push(\"proto.step=function \"+r+\"_step(\"+u.join(\",\")+\"){var \"+s.map(function(t){return\"a\"+t+\"=this.shape[\"+t+\"]\"}).join(\",\")+\",\"+s.map(function(t){return\"b\"+t+\"=this.stride[\"+t+\"]\"}).join(\",\")+\",c=this.offset,d=0,ceil=Math.ceil\");for(var m=0;e>m;++m)o.push(\"if(typeof i\"+m+\"==='number'){d=i\"+m+\"|0;if(d<0){c+=b\"+m+\"*(a\"+m+\"-1);a\"+m+\"=ceil(-a\"+m+\"/d)}else{a\"+m+\"=ceil(a\"+m+\"/d)}b\"+m+\"*=d}\");o.push(\"return new \"+r+\"(this.data,\"+s.map(function(t){return\"a\"+t}).join(\",\")+\",\"+s.map(function(t){return\"b\"+t}).join(\",\")+\",c)}\");for(var g=new Array(e),y=new Array(e),m=0;e>m;++m)g[m]=\"a[i\"+m+\"]\",y[m]=\"b[i\"+m+\"]\";o.push(\"proto.transpose=function \"+r+\"_transpose(\"+u+\"){\"+u.map(function(t,e){return t+\"=(\"+t+\"===undefined?\"+e+\":\"+t+\"|0)\"}).join(\";\"),\"var a=this.shape,b=this.stride;return new \"+r+\"(this.data,\"+g.join(\",\")+\",\"+y.join(\",\")+\",this.offset)}\"),o.push(\"proto.pick=function \"+r+\"_pick(\"+u+\"){var a=[],b=[],c=this.offset\");for(var m=0;e>m;++m)o.push(\"if(typeof i\"+m+\"==='number'&&i\"+m+\">=0){c=(c+this.stride[\"+m+\"]*i\"+m+\")|0}else{a.push(this.shape[\"+m+\"]);b.push(this.stride[\"+m+\"])}\");o.push(\"var ctor=CTOR_LIST[a.length+1];return ctor(this.data,a,b,c)}\"),o.push(\"return function construct_\"+r+\"(data,shape,stride,offset){return new \"+r+\"(data,\"+s.map(function(t){return\"shape[\"+t+\"]\"}).join(\",\")+\",\"+s.map(function(t){return\"stride[\"+t+\"]\"}).join(\",\")+\",offset)}\");var a=new Function(\"CTOR_LIST\",\"ORDER\",o.join(\"\\n\"));return a(h[t],i)}function a(t){if(u(t))return\"buffer\";if(c)switch(Object.prototype.toString.call(t)){case\"[object Float64Array]\":return\"float64\";case\"[object Float32Array]\":return\"float32\";case\"[object Int8Array]\":return\"int8\";case\"[object Int16Array]\":return\"int16\";case\"[object Int32Array]\":return\"int32\";case\"[object Uint8Array]\":return\"uint8\";case\"[object Uint16Array]\":return\"uint16\";case\"[object Uint32Array]\":return\"uint32\";case\"[object Uint8ClampedArray]\":return\"uint8_clamped\"}return Array.isArray(t)?\"array\":\"generic\"}function s(t,e,r,n){if(void 0===t){var i=h.array[0];return i([])}\"number\"==typeof t&&(t=[t]),void 0===e&&(e=[t.length]);var s=e.length;if(void 0===r){r=new Array(s);for(var l=s-1,u=1;l>=0;--l)r[l]=u,u*=e[l]}if(void 0===n){n=0;for(var l=0;s>l;++l)r[l]<0&&(n-=(e[l]-1)*r[l])}for(var c=a(t),f=h[c];f.length<=s+1;)f.push(o(c,f.length-1));var i=f[s+1];return i(t,e,r,n)}var l=t(\"iota-array\"),u=t(\"is-buffer\"),c=\"undefined\"!=typeof Float64Array,h={float32:[],float64:[],int8:[],int16:[],int32:[],uint8:[],uint16:[],uint32:[],array:[],uint8_clamped:[],buffer:[],generic:[]};e.exports=s},{\"iota-array\":245,\"is-buffer\":246}],434:[function(t,e,r){\"use strict\";function n(t,e){if(\"string\"!=typeof t)throw new TypeError(\"repeat-string expects a string.\");if(1===e)return t;if(2===e)return t+t;var r=t.length*e;for(i===t&&\"undefined\"!=typeof i||(i=t,o=\"\");r>o.length&&e>0&&(1&e&&(o+=t),e>>=1);)t+=t;return o.substr(0,r)}var i,o=\"\";e.exports=n},{}],435:[function(t,e,r){(function(t){e.exports=t.performance&&t.performance.now?function(){return performance.now()}:Date.now||function(){return+new Date}}).call(this,\"undefined\"!=typeof global?global:\"undefined\"!=typeof self?self:\"undefined\"!=typeof window?window:{})},{}],436:[function(t,e,r){\"use strict\";function n(t){for(var e=\"robustLinearSolve\"+t+\"d\",r=[\"function \",e,\"(A,b){return [\"],n=0;t>n;++n){r.push(\"det([\");for(var i=0;t>i;++i){i>0&&r.push(\",\"),r.push(\"[\");for(var o=0;t>o;++o)o>0&&r.push(\",\"),o===n?r.push(\"+b[\",i,\"]\"):r.push(\"+A[\",i,\"][\",o,\"]\");r.push(\"]\")}r.push(\"]),\")}r.push(\"det(A)]}return \",e);var a=new Function(\"det\",r.join(\"\"));return a(6>t?s[t]:s)}function i(){return[0]}function o(t,e){return[[e[0]],[t[0][0]]]}function a(){for(;u.length<l;)u.push(n(u.length));for(var t=[],r=[\"function dispatchLinearSolve(A,b){switch(A.length){\"],i=0;l>i;++i)t.push(\"s\"+i),r.push(\"case \",i,\":return s\",i,\"(A,b);\");r.push(\"}var s=CACHE[A.length];if(!s)s=CACHE[A.length]=g(A.length);return s(A,b)}return dispatchLinearSolve\"),t.push(\"CACHE\",\"g\",r.join(\"\"));var o=Function.apply(void 0,t);e.exports=o.apply(void 0,u.concat([u,n]));for(var i=0;l>i;++i)e.exports[i]=u[i]}var s=t(\"robust-determinant\"),l=6,u=[i,o];a()},{\"robust-determinant\":438}],437:[function(t,e,r){\"use strict\";function n(t){for(var e=t.length,r=t[t.length-1],n=e,i=e-2;i>=0;--i){var o=r,a=t[i];r=o+a;var s=r-o,l=a-s;l&&(t[--n]=r,r=l)}for(var u=0,i=n;e>i;++i){var o=t[i],a=r;r=o+a;var s=r-o,l=a-s;l&&(t[u++]=l)}return t[u++]=r,t.length=u,t}e.exports=n},{}],438:[function(t,e,r){\"use strict\";function n(t,e){for(var r=new Array(t.length-1),n=1;n<t.length;++n)for(var i=r[n-1]=new Array(t.length-1),o=0,a=0;o<t.length;++o)o!==e&&(i[a++]=t[n][o]);return r}function i(t){for(var e=new Array(t),r=0;t>r;++r){e[r]=new Array(t);for(var n=0;t>n;++n)e[r][n]=[\"m[\",r,\"][\",n,\"]\"].join(\"\")}return e}function o(t){return 1&t?\"-\":\"\"}function a(t){if(1===t.length)return t[0];if(2===t.length)return[\"sum(\",t[0],\",\",t[1],\")\"].join(\"\");var e=t.length>>1;return[\"sum(\",a(t.slice(0,e)),\",\",a(t.slice(e)),\")\"].join(\"\")}function s(t){if(2===t.length)return[\"sum(prod(\",t[0][0],\",\",t[1][1],\"),prod(-\",t[0][1],\",\",t[1][0],\"))\"].join(\"\");for(var e=[],r=0;r<t.length;++r)e.push([\"scale(\",s(n(t,r)),\",\",o(r),t[0][r],\")\"].join(\"\"));return a(e)}function l(t){var e=new Function(\"sum\",\"scale\",\"prod\",\"compress\",[\"function robustDeterminant\",t,\"(m){return compress(\",s(i(t)),\")};return robustDeterminant\",t].join(\"\"));return e(h,f,c,d)}function u(){for(;v.length<p;)v.push(l(v.length));for(var t=[],r=[\"function robustDeterminant(m){switch(m.length){\"],n=0;p>n;++n)t.push(\"det\"+n),r.push(\"case \",n,\":return det\",n,\"(m);\");r.push(\"}var det=CACHE[m.length];if(!det)det=CACHE[m.length]=gen(m.length);return det(m);}return robustDeterminant\"),t.push(\"CACHE\",\"gen\",r.join(\"\"));var i=Function.apply(void 0,t);e.exports=i.apply(void 0,v.concat([v,l]));for(var n=0;n<v.length;++n)e.exports[n]=v[n]}var c=t(\"two-product\"),h=t(\"robust-sum\"),f=t(\"robust-scale\"),d=t(\"robust-compress\"),p=6,v=[function(){return[0]},function(t){return[t[0][0]]}];u()},{\"robust-compress\":437,\"robust-scale\":440,\"robust-sum\":442,\"two-product\":456}],439:[function(t,e,r){\"use strict\";function n(t,e){for(var r=new Array(t.length-1),n=1;n<t.length;++n)for(var i=r[n-1]=new Array(t.length-1),o=0,a=0;o<t.length;++o)o!==e&&(i[a++]=t[n][o]);return r}function i(t){for(var e=new Array(t),r=0;t>r;++r){e[r]=new Array(t);for(var n=0;t>n;++n)e[r][n]=[\"m\",n,\"[\",t-r-1,\"]\"].join(\"\")}return e}function o(t){return 1&t?\"-\":\"\"}function a(t){if(1===t.length)return t[0];if(2===t.length)return[\"sum(\",t[0],\",\",t[1],\")\"].join(\"\");var e=t.length>>1;return[\"sum(\",a(t.slice(0,e)),\",\",a(t.slice(e)),\")\"].join(\"\")}function s(t){if(2===t.length)return[[\"sum(prod(\",t[0][0],\",\",t[1][1],\"),prod(-\",t[0][1],\",\",t[1][0],\"))\"].join(\"\")];for(var e=[],r=0;r<t.length;++r)e.push([\"scale(\",a(s(n(t,r))),\",\",o(r),t[0][r],\")\"].join(\"\"));return e}function l(t){for(var e=[],r=[],o=i(t),l=[],u=0;t>u;++u)0===(1&u)?e.push.apply(e,s(n(o,u))):r.push.apply(r,s(n(o,u))),l.push(\"m\"+u);var c=a(e),v=a(r),m=\"orientation\"+t+\"Exact\",g=[\"function \",m,\"(\",l.join(),\"){var p=\",c,\",n=\",v,\",d=sub(p,n);return d[d.length-1];};return \",m].join(\"\"),y=new Function(\"sum\",\"prod\",\"scale\",\"sub\",g);return y(f,h,d,p)}function u(t){var e=_[t.length];return e||(e=_[t.length]=l(t.length)),e.apply(void 0,t)}function c(){for(;_.length<=v;)_.push(l(_.length));for(var t=[],r=[\"slow\"],n=0;v>=n;++n)t.push(\"a\"+n),r.push(\"o\"+n);for(var i=[\"function getOrientation(\",t.join(),\"){switch(arguments.length){case 0:case 1:return 0;\"],n=2;v>=n;++n)i.push(\"case \",n,\":return o\",n,\"(\",t.slice(0,n).join(),\");\");i.push(\"}var s=new Array(arguments.length);for(var i=0;i<arguments.length;++i){s[i]=arguments[i]};return slow(s);}return getOrientation\"),r.push(i.join(\"\"));var o=Function.apply(void 0,r);e.exports=o.apply(void 0,[u].concat(_));for(var n=0;v>=n;++n)e.exports[n]=_[n]}var h=t(\"two-product\"),f=t(\"robust-sum\"),d=t(\"robust-scale\"),p=t(\"robust-subtract\"),v=5,m=1.1102230246251565e-16,g=(3+16*m)*m,y=(7+56*m)*m,b=l(3),x=l(4),_=[function(){return 0},function(){return 0},function(t,e){return e[0]-t[0]},function(t,e,r){var n,i=(t[1]-r[1])*(e[0]-r[0]),o=(t[0]-r[0])*(e[1]-r[1]),a=i-o;if(i>0){if(0>=o)return a;n=i+o}else{if(!(0>i))return a;if(o>=0)return a;n=-(i+o)}var s=g*n;return a>=s||-s>=a?a:b(t,e,r)},function(t,e,r,n){var i=t[0]-n[0],o=e[0]-n[0],a=r[0]-n[0],s=t[1]-n[1],l=e[1]-n[1],u=r[1]-n[1],c=t[2]-n[2],h=e[2]-n[2],f=r[2]-n[2],d=o*u,p=a*l,v=a*s,m=i*u,g=i*l,b=o*s,_=c*(d-p)+h*(v-m)+f*(g-b),w=(Math.abs(d)+Math.abs(p))*Math.abs(c)+(Math.abs(v)+Math.abs(m))*Math.abs(h)+(Math.abs(g)+Math.abs(b))*Math.abs(f),M=y*w;return _>M||-_>M?_:x(t,e,r,n)}];c()},{\"robust-scale\":440,\"robust-subtract\":441,\"robust-sum\":442,\"two-product\":456}],440:[function(t,e,r){\"use strict\";function n(t,e){var r=t.length;if(1===r){var n=i(t[0],e);return n[0]?n:[n[1]]}var a=new Array(2*r),s=[.1,.1],l=[.1,.1],u=0;i(t[0],e,s),s[0]&&(a[u++]=s[0]);for(var c=1;r>c;++c){i(t[c],e,l);var h=s[1];o(h,l[0],s),s[0]&&(a[u++]=s[0]);var f=l[1],d=s[1],p=f+d,v=p-f,m=d-v;s[1]=p,m&&(a[u++]=m)}return s[1]&&(a[u++]=s[1]),0===u&&(a[u++]=0),a.length=u,a}var i=t(\"two-product\"),o=t(\"two-sum\");e.exports=n},{\"two-product\":456,\"two-sum\":457}],441:[function(t,e,r){\"use strict\";function n(t,e){var r=t+e,n=r-t,i=r-n,o=e-n,a=t-i,s=a+o;return s?[s,r]:[r]}function i(t,e){var r=0|t.length,i=0|e.length;if(1===r&&1===i)return n(t[0],-e[0]);var o,a,s=r+i,l=new Array(s),u=0,c=0,h=0,f=Math.abs,d=t[c],p=f(d),v=-e[h],m=f(v);m>p?(a=d,c+=1,r>c&&(d=t[c],p=f(d))):(a=v,h+=1,i>h&&(v=-e[h],m=f(v))),r>c&&m>p||h>=i?(o=d,c+=1,r>c&&(d=t[c],p=f(d))):(o=v,h+=1,i>h&&(v=-e[h],m=f(v)));for(var g,y,b,x,_,w=o+a,M=w-o,k=a-M,A=k,T=w;r>c&&i>h;)m>p?(o=d,c+=1,r>c&&(d=t[c],p=f(d))):(o=v,h+=1,i>h&&(v=-e[h],m=f(v))),a=A,w=o+a,M=w-o,k=a-M,k&&(l[u++]=k),g=T+w,y=g-T,b=g-y,x=w-y,_=T-b,A=_+x,T=g;for(;r>c;)o=d,a=A,w=o+a,M=w-o,k=a-M,k&&(l[u++]=k),g=T+w,y=g-T,b=g-y,x=w-y,_=T-b,A=_+x,T=g,c+=1,r>c&&(d=t[c]);for(;i>h;)o=v,a=A,w=o+a,M=w-o,k=a-M,k&&(l[u++]=k),g=T+w,y=g-T,b=g-y,x=w-y,_=T-b,A=_+x,T=g,h+=1,i>h&&(v=-e[h]);return A&&(l[u++]=A),T&&(l[u++]=T),u||(l[u++]=0),l.length=u,l}e.exports=i},{}],442:[function(t,e,r){\"use strict\";function n(t,e){var r=t+e,n=r-t,i=r-n,o=e-n,a=t-i,s=a+o;return s?[s,r]:[r]}function i(t,e){var r=0|t.length,i=0|e.length;if(1===r&&1===i)return n(t[0],e[0]);var o,a,s=r+i,l=new Array(s),u=0,c=0,h=0,f=Math.abs,d=t[c],p=f(d),v=e[h],m=f(v);m>p?(a=d,c+=1,r>c&&(d=t[c],p=f(d))):(a=v,h+=1,i>h&&(v=e[h],m=f(v))),r>c&&m>p||h>=i?(o=d,c+=1,r>c&&(d=t[c],p=f(d))):(o=v,h+=1,i>h&&(v=e[h],m=f(v)));for(var g,y,b,x,_,w=o+a,M=w-o,k=a-M,A=k,T=w;r>c&&i>h;)m>p?(o=d,c+=1,r>c&&(d=t[c],p=f(d))):(o=v,h+=1,i>h&&(v=e[h],m=f(v))),a=A,w=o+a,M=w-o,k=a-M,k&&(l[u++]=k),g=T+w,y=g-T,b=g-y,x=w-y,_=T-b,A=_+x,T=g;for(;r>c;)o=d,a=A,w=o+a,M=w-o,k=a-M,k&&(l[u++]=k),\ng=T+w,y=g-T,b=g-y,x=w-y,_=T-b,A=_+x,T=g,c+=1,r>c&&(d=t[c]);for(;i>h;)o=v,a=A,w=o+a,M=w-o,k=a-M,k&&(l[u++]=k),g=T+w,y=g-T,b=g-y,x=w-y,_=T-b,A=_+x,T=g,h+=1,i>h&&(v=e[h]);return A&&(l[u++]=A),T&&(l[u++]=T),u||(l[u++]=0),l.length=u,l}e.exports=i},{}],443:[function(t,e,r){\"use strict\";function n(t){return t.split(\"\").map(function(t){return t in i?i[t]:\"\"}).join(\"\")}e.exports=n;var i={\" \":\" \",0:\"\\u2070\",1:\"\\xb9\",2:\"\\xb2\",3:\"\\xb3\",4:\"\\u2074\",5:\"\\u2075\",6:\"\\u2076\",7:\"\\u2077\",8:\"\\u2078\",9:\"\\u2079\",\"+\":\"\\u207a\",\"-\":\"\\u207b\",a:\"\\u1d43\",b:\"\\u1d47\",c:\"\\u1d9c\",d:\"\\u1d48\",e:\"\\u1d49\",f:\"\\u1da0\",g:\"\\u1d4d\",h:\"\\u02b0\",i:\"\\u2071\",j:\"\\u02b2\",k:\"\\u1d4f\",l:\"\\u02e1\",m:\"\\u1d50\",n:\"\\u207f\",o:\"\\u1d52\",p:\"\\u1d56\",r:\"\\u02b3\",s:\"\\u02e2\",t:\"\\u1d57\",u:\"\\u1d58\",v:\"\\u1d5b\",w:\"\\u02b7\",x:\"\\u02e3\",y:\"\\u02b8\",z:\"\\u1dbb\"}},{}],444:[function(t,e,r){\"use strict\";function n(t){return\"a\"+t}function i(t){return\"d\"+t}function o(t,e){return\"c\"+t+\"_\"+e}function a(t){return\"s\"+t}function s(t,e){return\"t\"+t+\"_\"+e}function l(t){return\"o\"+t}function u(t){return\"x\"+t}function c(t){return\"p\"+t}function h(t,e){return\"d\"+t+\"_\"+e}function f(t){return\"i\"+t}function d(t,e){return\"u\"+t+\"_\"+e}function p(t){return\"b\"+t}function v(t){return\"y\"+t}function m(t){return\"e\"+t}function g(t){return\"v\"+t}function y(t,e,r){for(var n=0,i=0;t>i;++i)e&1<<i&&(n|=1<<r[i]);return n}function b(t,e,r,b,x,S){function L(t,e){j.push(\"for(\",f(x[t]),\"=\",e,\";\",f(x[t]),\"<\",a(x[t]),\";\",\"++\",f(x[t]),\"){\")}function z(t){for(var e=0;D>e;++e)j.push(c(e),\"+=\",d(e,x[t]),\";\");j.push(\"}\")}function I(t){for(var e=t-1;e>=0;--e)L(e,0);for(var r=[],e=0;D>e;++e)S[e]?r.push(i(e)+\".get(\"+c(e)+\")\"):r.push(i(e)+\"[\"+c(e)+\"]\");for(var e=0;b>e;++e)r.push(u(e));j.push(M,\"[\",T,\"++]=phase(\",r.join(),\");\");for(var e=0;t>e;++e)z(e);for(var n=0;D>n;++n)j.push(c(n),\"+=\",d(n,x[t]),\";\")}function P(t){for(var e=0;D>e;++e)S[e]?j.push(o(e,0),\"=\",i(e),\".get(\",c(e),\");\"):j.push(o(e,0),\"=\",i(e),\"[\",c(e),\"];\");for(var r=[],e=0;D>e;++e)r.push(o(e,0));for(var e=0;b>e;++e)r.push(u(e));j.push(p(0),\"=\",M,\"[\",T,\"]=phase(\",r.join(),\");\");for(var n=1;1<<O>n;++n)j.push(p(n),\"=\",M,\"[\",T,\"+\",m(n),\"];\");for(var a=[],n=1;1<<O>n;++n)a.push(\"(\"+p(0)+\"!==\"+p(n)+\")\");j.push(\"if(\",a.join(\"||\"),\"){\");for(var s=[],e=0;O>e;++e)s.push(f(e));for(var e=0;D>e;++e){s.push(o(e,0));for(var n=1;1<<O>n;++n)S[e]?j.push(o(e,n),\"=\",i(e),\".get(\",c(e),\"+\",h(e,n),\");\"):j.push(o(e,n),\"=\",i(e),\"[\",c(e),\"+\",h(e,n),\"];\"),s.push(o(e,n))}for(var e=0;1<<O>e;++e)s.push(p(e));for(var e=0;b>e;++e)s.push(u(e));j.push(\"vertex(\",s.join(),\");\",g(0),\"=\",w,\"[\",T,\"]=\",k,\"++;\");for(var l=(1<<O)-1,d=p(l),n=0;O>n;++n)if(0===(t&~(1<<n))){for(var v=l^1<<n,y=p(v),x=[],_=v;_>0;_=_-1&v)x.push(w+\"[\"+T+\"+\"+m(_)+\"]\");x.push(g(0));for(var _=0;D>_;++_)1&n?x.push(o(_,l),o(_,v)):x.push(o(_,v),o(_,l));1&n?x.push(d,y):x.push(y,d);for(var _=0;b>_;++_)x.push(u(_));j.push(\"if(\",d,\"!==\",y,\"){\",\"face(\",x.join(),\")}\")}j.push(\"}\",T,\"+=1;\")}function C(){for(var t=1;1<<O>t;++t)j.push(E,\"=\",m(t),\";\",m(t),\"=\",v(t),\";\",v(t),\"=\",E,\";\")}function R(t,e){if(0>t)return void P(e);I(t),j.push(\"if(\",a(x[t]),\">0){\",f(x[t]),\"=1;\"),R(t-1,e|1<<x[t]);for(var r=0;D>r;++r)j.push(c(r),\"+=\",d(r,x[t]),\";\");t===O-1&&(j.push(T,\"=0;\"),C()),L(t,2),R(t-1,e),t===O-1&&(j.push(\"if(\",f(x[O-1]),\"&1){\",T,\"=0;}\"),C()),z(t),j.push(\"}\")}var D=S.length,O=x.length;if(2>O)throw new Error(\"ndarray-extract-contour: Dimension must be at least 2\");for(var F=\"extractContour\"+x.join(\"_\"),j=[],N=[],B=[],U=0;D>U;++U)B.push(n(U));for(var U=0;b>U;++U)B.push(u(U));for(var U=0;O>U;++U)N.push(a(U)+\"=\"+n(0)+\".shape[\"+U+\"]|0\");for(var U=0;D>U;++U){N.push(i(U)+\"=\"+n(U)+\".data\",l(U)+\"=\"+n(U)+\".offset|0\");for(var V=0;O>V;++V)N.push(s(U,V)+\"=\"+n(U)+\".stride[\"+V+\"]|0\")}for(var U=0;D>U;++U){N.push(c(U)+\"=\"+l(U)),N.push(o(U,0));for(var V=1;1<<O>V;++V){for(var q=[],G=0;O>G;++G)V&1<<G&&q.push(\"-\"+s(U,G));N.push(h(U,V)+\"=(\"+q.join(\"\")+\")|0\"),N.push(o(U,V)+\"=0\")}}for(var U=0;D>U;++U)for(var V=0;O>V;++V){var H=[s(U,x[V])];V>0&&H.push(s(U,x[V-1])+\"*\"+a(x[V-1])),N.push(d(U,x[V])+\"=(\"+H.join(\"-\")+\")|0\")}for(var U=0;O>U;++U)N.push(f(U)+\"=0\");N.push(k+\"=0\");for(var X=[\"2\"],U=O-2;U>=0;--U)X.push(a(x[U]));N.push(A+\"=(\"+X.join(\"*\")+\")|0\",M+\"=mallocUint32(\"+A+\")\",w+\"=mallocUint32(\"+A+\")\",T+\"=0\"),N.push(p(0)+\"=0\");for(var V=1;1<<O>V;++V){for(var Y=[],W=[],G=0;O>G;++G)V&1<<G&&(0===W.length?Y.push(\"1\"):Y.unshift(W.join(\"*\"))),W.push(a(x[G]));var Z=\"\";Y[0].indexOf(a(x[O-2]))<0&&(Z=\"-\");var K=y(O,V,x);N.push(m(K)+\"=(-\"+Y.join(\"-\")+\")|0\",v(K)+\"=(\"+Z+Y.join(\"-\")+\")|0\",p(K)+\"=0\")}N.push(g(0)+\"=0\",E+\"=0\"),R(O-1,0),j.push(\"freeUint32(\",w,\");freeUint32(\",M,\");\");var J=[\"'use strict';\",\"function \",F,\"(\",B.join(),\"){\",\"var \",N.join(),\";\",j.join(\"\"),\"}\",\"return \",F].join(\"\"),$=new Function(\"vertex\",\"face\",\"phase\",\"mallocUint32\",\"freeUint32\",J);return $(t,e,r,_.mallocUint32,_.freeUint32)}function x(t){function e(t){throw new Error(\"ndarray-extract-contour: \"+t)}\"object\"!=typeof t&&e(\"Must specify arguments\");var r=t.order;Array.isArray(r)||e(\"Must specify order\");var n=t.arrayArguments||1;1>n&&e(\"Must have at least one array argument\");var i=t.scalarArguments||0;0>i&&e(\"Scalar arg count must be > 0\"),\"function\"!=typeof t.vertex&&e(\"Must specify vertex creation function\"),\"function\"!=typeof t.cell&&e(\"Must specify cell creation function\"),\"function\"!=typeof t.phase&&e(\"Must specify phase function\");for(var o=t.getters||[],a=new Array(n),s=0;n>s;++s)o.indexOf(s)>=0?a[s]=!0:a[s]=!1;return b(t.vertex,t.cell,t.phase,i,r,a)}var _=t(\"typedarray-pool\");e.exports=x;var w=\"V\",M=\"P\",k=\"N\",A=\"Q\",T=\"X\",E=\"T\"},{\"typedarray-pool\":458}],445:[function(t,e,r){function n(t){if(0>t)return Number(\"0/0\");for(var e=s[0],r=s.length-1;r>0;--r)e+=s[r]/(t+r);var n=t+a+.5;return.5*Math.log(2*Math.PI)+(t+.5)*Math.log(n)-n+Math.log(e)-Math.log(t)}var i=7,o=[.9999999999998099,676.5203681218851,-1259.1392167224028,771.3234287776531,-176.6150291621406,12.507343278686905,-.13857109526572012,9984369578019572e-21,1.5056327351493116e-7],a=607/128,s=[.9999999999999971,57.15623566586292,-59.59796035547549,14.136097974741746,-.4919138160976202,3399464998481189e-20,4652362892704858e-20,-9837447530487956e-20,.0001580887032249125,-.00021026444172410488,.00021743961811521265,-.0001643181065367639,8441822398385275e-20,-26190838401581408e-21,36899182659531625e-22];e.exports=function l(t){if(.5>t)return Math.PI/(Math.sin(Math.PI*t)*l(1-t));if(t>100)return Math.exp(n(t));t-=1;for(var e=o[0],r=1;i+2>r;r++)e+=o[r]/(t+r);var a=t+i+.5;return Math.sqrt(2*Math.PI)*Math.pow(a,t+.5)*Math.exp(-a)*e},e.exports.log=n},{}],446:[function(t,e,r){\"use strict\";function n(t){var e=t.length;if(i>e){for(var r=1,n=0;e>n;++n)for(var a=0;n>a;++a)if(t[n]<t[a])r=-r;else if(t[n]===t[a])return 0;return r}for(var s=o.mallocUint8(e),n=0;e>n;++n)s[n]=0;for(var r=1,n=0;e>n;++n)if(!s[n]){var l=1;s[n]=1;for(var a=t[n];a!==n;a=t[a]){if(s[a])return o.freeUint8(s),0;l+=1,s[a]=1}1&l||(r=-r)}return o.freeUint8(s),r}e.exports=n;var i=32,o=t(\"typedarray-pool\")},{\"typedarray-pool\":458}],447:[function(t,e,r){\"use strict\";function n(t){var e=t.length;switch(e){case 0:case 1:return 0;case 2:return t[1]}var r,n,i,s=o.mallocUint32(e),l=o.mallocUint32(e),u=0;for(a(t,l),i=0;e>i;++i)s[i]=t[i];for(i=e-1;i>0;--i)n=l[i],r=s[i],s[i]=s[n],s[n]=r,l[i]=l[r],l[r]=n,u=(u+r)*i;return o.freeUint32(l),o.freeUint32(s),u}function i(t,e,r){switch(t){case 0:return r?r:[];case 1:return r?(r[0]=0,r):[0];case 2:return r?(e?(r[0]=0,r[1]=1):(r[0]=1,r[1]=0),r):e?[0,1]:[1,0]}r=r||new Array(t);var n,i,o,a=1;for(r[0]=0,o=1;t>o;++o)r[o]=o,a=a*o|0;for(o=t-1;o>0;--o)n=e/a|0,e=e-n*a|0,a=a/o|0,i=0|r[o],r[o]=0|r[n],r[n]=0|i;return r}var o=t(\"typedarray-pool\"),a=t(\"invert-permutation\");r.rank=n,r.unrank=i},{\"invert-permutation\":448,\"typedarray-pool\":458}],448:[function(t,e,r){\"use strict\";function n(t,e){e=e||new Array(t.length);for(var r=0;r<t.length;++r)e[t[r]]=r;return e}e.exports=n},{}],449:[function(t,e,r){\"use strict\";function n(t){if(0>t)return[];if(0===t)return[[0]];for(var e=0|Math.round(a(t+1)),r=[],n=0;e>n;++n){for(var s=i.unrank(t,n),l=[0],u=0,c=0;c<s.length;++c)u+=1<<s[c],l.push(u);o(s)<1&&(l[0]=u,l[t]=0),r.push(l)}return r}e.exports=n;var i=t(\"permutation-rank\"),o=t(\"permutation-parity\"),a=t(\"gamma\")},{gamma:445,\"permutation-parity\":446,\"permutation-rank\":447}],450:[function(t,e,r){e.exports=t(\"cwise-compiler\")({args:[\"array\",{offset:[1],array:0},\"scalar\",\"scalar\",\"index\"],pre:{body:\"{}\",args:[],thisVars:[],localVars:[]},post:{body:\"{}\",args:[],thisVars:[],localVars:[]},body:{body:\"{\\n        var _inline_1_da = _inline_1_arg0_ - _inline_1_arg3_\\n        var _inline_1_db = _inline_1_arg1_ - _inline_1_arg3_\\n        if((_inline_1_da >= 0) !== (_inline_1_db >= 0)) {\\n          _inline_1_arg2_.push(_inline_1_arg4_[0] + 0.5 + 0.5 * (_inline_1_da + _inline_1_db) / (_inline_1_da - _inline_1_db))\\n        }\\n      }\",args:[{name:\"_inline_1_arg0_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_1_arg1_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_1_arg2_\",lvalue:!1,rvalue:!0,count:1},{name:\"_inline_1_arg3_\",lvalue:!1,rvalue:!0,count:2},{name:\"_inline_1_arg4_\",lvalue:!1,rvalue:!0,count:1}],thisVars:[],localVars:[\"_inline_1_da\",\"_inline_1_db\"]},funcName:\"zeroCrossings\"})},{\"cwise-compiler\":115}],451:[function(t,e,r){\"use strict\";function n(t,e){var r=[];return e=+e||0,i(t.hi(t.shape[0]-1),r,e),r}e.exports=n;var i=t(\"./lib/zc-core\")},{\"./lib/zc-core\":450}],452:[function(t,e,r){\"use strict\";function n(t,e){var r=t.length,n=[\"'use strict';\"],i=\"surfaceNets\"+t.join(\"_\")+\"d\"+e;n.push(\"var contour=genContour({\",\"order:[\",t.join(),\"],\",\"scalarArguments: 3,\",\"phase:function phaseFunc(p,a,b,c) { return (p > c)|0 },\"),\"generic\"===e&&n.push(\"getters:[0],\");for(var o=[],l=[],u=0;r>u;++u)o.push(\"d\"+u),l.push(\"d\"+u);for(var u=0;1<<r>u;++u)o.push(\"v\"+u),l.push(\"v\"+u);for(var u=0;1<<r>u;++u)o.push(\"p\"+u),l.push(\"p\"+u);o.push(\"a\",\"b\",\"c\"),l.push(\"a\",\"c\"),n.push(\"vertex:function vertexFunc(\",o.join(),\"){\");for(var c=[],u=0;1<<r>u;++u)c.push(\"(p\"+u+\"<<\"+u+\")\");n.push(\"var m=(\",c.join(\"+\"),\")|0;if(m===0||m===\",(1<<(1<<r))-1,\"){return}\");var h=[],f=[];128>=1<<(1<<r)?(n.push(\"switch(m){\"),f=n):n.push(\"switch(m>>>7){\");for(var u=0;1<<(1<<r)>u;++u){if(1<<(1<<r)>128&&u%128===0){h.length>0&&f.push(\"}}\");var d=\"vExtra\"+h.length;n.push(\"case \",u>>>7,\":\",d,\"(m&0x7f,\",l.join(),\");break;\"),f=[\"function \",d,\"(m,\",l.join(),\"){switch(m){\"],h.push(f)}f.push(\"case \",127&u,\":\");for(var p=new Array(r),v=new Array(r),m=new Array(r),g=new Array(r),y=0,b=0;r>b;++b)p[b]=[],v[b]=[],m[b]=0,g[b]=0;for(var b=0;1<<r>b;++b)for(var x=0;r>x;++x){var _=b^1<<x;if(!(_>b)&&!(u&1<<_)!=!(u&1<<b)){var w=1;u&1<<_?v[x].push(\"v\"+_+\"-v\"+b):(v[x].push(\"v\"+b+\"-v\"+_),w=-w),0>w?(p[x].push(\"-v\"+b+\"-v\"+_),m[x]+=2):(p[x].push(\"v\"+b+\"+v\"+_),m[x]-=2),y+=1;for(var M=0;r>M;++M)M!==x&&(_&1<<M?g[M]+=1:g[M]-=1)}}for(var k=[],x=0;r>x;++x)if(0===p[x].length)k.push(\"d\"+x+\"-0.5\");else{var A=\"\";m[x]<0?A=m[x]+\"*c\":m[x]>0&&(A=\"+\"+m[x]+\"*c\");var T=.5*(p[x].length/y),E=.5+.5*(g[x]/y);k.push(\"d\"+x+\"-\"+E+\"-\"+T+\"*(\"+p[x].join(\"+\")+A+\")/(\"+v[x].join(\"+\")+\")\")}f.push(\"a.push([\",k.join(),\"]);\",\"break;\")}n.push(\"}},\"),h.length>0&&f.push(\"}}\");for(var S=[],u=0;1<<r-1>u;++u)S.push(\"v\"+u);S.push(\"c0\",\"c1\",\"p0\",\"p1\",\"a\",\"b\",\"c\"),n.push(\"cell:function cellFunc(\",S.join(),\"){\");var L=s(r-1);n.push(\"if(p0){b.push(\",L.map(function(t){return\"[\"+t.map(function(t){return\"v\"+t})+\"]\"}).join(),\")}else{b.push(\",L.map(function(t){var e=t.slice();return e.reverse(),\"[\"+e.map(function(t){return\"v\"+t})+\"]\"}).join(),\")}}});function \",i,\"(array,level){var verts=[],cells=[];contour(array,verts,cells,level);return {positions:verts,cells:cells};} return \",i,\";\");for(var u=0;u<h.length;++u)n.push(h[u].join(\"\"));var z=new Function(\"genContour\",n.join(\"\"));return z(a)}function i(t,e){for(var r=l(t,e),n=r.length,i=new Array(n),o=new Array(n),a=0;n>a;++a)i[a]=[r[a]],o[a]=[a];return{positions:i,cells:o}}function o(t,e){if(t.dimension<=0)return{positions:[],cells:[]};if(1===t.dimension)return i(t,e);var r=t.order.join()+\"-\"+t.dtype,o=u[r],e=+e||0;return o||(o=u[r]=n(t.order,t.dtype)),o(t,e)}e.exports=o;var a=t(\"ndarray-extract-contour\"),s=t(\"triangulate-hypercube\"),l=t(\"zero-crossings\"),u={}},{\"ndarray-extract-contour\":444,\"triangulate-hypercube\":449,\"zero-crossings\":451}],453:[function(t,e,r){(function(r){\"use strict\";function n(t){for(var e=t.cells,r=t.positions,n=new Float32Array(6*e.length),i=0,o=0,a=0;a<e.length;++a)for(var s=e[a],l=0;3>l;++l){var u=r[s[l]];n[i++]=u[0],n[i++]=u[1]+1.4,o=Math.max(u[0],o)}return{data:n,shape:o}}function i(t,e){var r=s[t];r||(r=s[t]={\" \":{data:new Float32Array(0),shape:.2}});var a=r[e];if(!a)if(e.length<=1||!/\\d/.test(e))a=r[e]=n(o(e,{triangles:!0,font:t,textAlign:\"left\",textBaseline:\"alphabetic\"}));else{for(var l=e.split(/(\\d|\\s)/),u=new Array(l.length),c=0,h=0,f=0;f<l.length;++f)u[f]=i(t,l[f]),c+=u[f].data.length,h+=u[f].shape,f>0&&(h+=.02);for(var d=new Float32Array(c),p=0,v=-.5*h,f=0;f<u.length;++f){for(var m=u[f].data,g=0;g<m.length;g+=2)d[p++]=m[g]+v,d[p++]=m[g+1];v+=u[f].shape+.02}a=r[e]={data:d,shape:h}}return a}e.exports=i;var o=t(\"vectorize-text\"),a=window||r.global||{},s=a.__TEXT_CACHE||{};a.__TEXT_CACHE={}}).call(this,t(\"_process\"))},{_process:60,\"vectorize-text\":460}],454:[function(e,r,n){!function(){function e(t,r){if(t=t?t:\"\",r=r||{},t instanceof e)return t;if(!(this instanceof e))return new e(t,r);var i=n(t);this._originalInput=t,this._r=i.r,this._g=i.g,this._b=i.b,this._a=i.a,this._roundA=U(100*this._a)/100,this._format=r.format||i.format,this._gradientType=r.gradientType,this._r<1&&(this._r=U(this._r)),this._g<1&&(this._g=U(this._g)),this._b<1&&(this._b=U(this._b)),this._ok=i.ok,this._tc_id=N++}function n(t){var e={r:0,g:0,b:0},r=1,n=!1,o=!1;return\"string\"==typeof t&&(t=D(t)),\"object\"==typeof t&&(t.hasOwnProperty(\"r\")&&t.hasOwnProperty(\"g\")&&t.hasOwnProperty(\"b\")?(e=i(t.r,t.g,t.b),n=!0,o=\"%\"===String(t.r).substr(-1)?\"prgb\":\"rgb\"):t.hasOwnProperty(\"h\")&&t.hasOwnProperty(\"s\")&&t.hasOwnProperty(\"v\")?(t.s=P(t.s),t.v=P(t.v),e=l(t.h,t.s,t.v),n=!0,o=\"hsv\"):t.hasOwnProperty(\"h\")&&t.hasOwnProperty(\"s\")&&t.hasOwnProperty(\"l\")&&(t.s=P(t.s),t.l=P(t.l),e=a(t.h,t.s,t.l),n=!0,o=\"hsl\"),t.hasOwnProperty(\"a\")&&(r=t.a)),r=A(r),{ok:n,format:t.format||o,r:V(255,q(e.r,0)),g:V(255,q(e.g,0)),b:V(255,q(e.b,0)),a:r}}function i(t,e,r){return{r:255*T(t,255),g:255*T(e,255),b:255*T(r,255)}}function o(t,e,r){t=T(t,255),e=T(e,255),r=T(r,255);var n,i,o=q(t,e,r),a=V(t,e,r),s=(o+a)/2;if(o==a)n=i=0;else{var l=o-a;switch(i=s>.5?l/(2-o-a):l/(o+a),o){case t:n=(e-r)/l+(r>e?6:0);break;case e:n=(r-t)/l+2;break;case r:n=(t-e)/l+4}n/=6}return{h:n,s:i,l:s}}function a(t,e,r){function n(t,e,r){return 0>r&&(r+=1),r>1&&(r-=1),1/6>r?t+6*(e-t)*r:.5>r?e:2/3>r?t+(e-t)*(2/3-r)*6:t}var i,o,a;if(t=T(t,360),e=T(e,100),r=T(r,100),0===e)i=o=a=r;else{var s=.5>r?r*(1+e):r+e-r*e,l=2*r-s;i=n(l,s,t+1/3),o=n(l,s,t),a=n(l,s,t-1/3)}return{r:255*i,g:255*o,b:255*a}}function s(t,e,r){t=T(t,255),e=T(e,255),r=T(r,255);var n,i,o=q(t,e,r),a=V(t,e,r),s=o,l=o-a;if(i=0===o?0:l/o,o==a)n=0;else{switch(o){case t:n=(e-r)/l+(r>e?6:0);break;case e:n=(r-t)/l+2;break;case r:n=(t-e)/l+4}n/=6}return{h:n,s:i,v:s}}function l(t,e,r){t=6*T(t,360),e=T(e,100),r=T(r,100);var n=B.floor(t),i=t-n,o=r*(1-e),a=r*(1-i*e),s=r*(1-(1-i)*e),l=n%6,u=[r,a,o,o,s,r][l],c=[s,r,r,a,o,o][l],h=[o,o,s,r,r,a][l];return{r:255*u,g:255*c,b:255*h}}function u(t,e,r,n){var i=[I(U(t).toString(16)),I(U(e).toString(16)),I(U(r).toString(16))];return n&&i[0].charAt(0)==i[0].charAt(1)&&i[1].charAt(0)==i[1].charAt(1)&&i[2].charAt(0)==i[2].charAt(1)?i[0].charAt(0)+i[1].charAt(0)+i[2].charAt(0):i.join(\"\")}function c(t,e,r,n){var i=[I(C(n)),I(U(t).toString(16)),I(U(e).toString(16)),I(U(r).toString(16))];return i.join(\"\")}function h(t,r){r=0===r?0:r||10;var n=e(t).toHsl();return n.s-=r/100,n.s=E(n.s),e(n)}function f(t,r){r=0===r?0:r||10;var n=e(t).toHsl();return n.s+=r/100,n.s=E(n.s),e(n)}function d(t){return e(t).desaturate(100)}function p(t,r){r=0===r?0:r||10;var n=e(t).toHsl();return n.l+=r/100,n.l=E(n.l),e(n)}function v(t,r){r=0===r?0:r||10;var n=e(t).toRgb();return n.r=q(0,V(255,n.r-U(255*-(r/100)))),n.g=q(0,V(255,n.g-U(255*-(r/100)))),n.b=q(0,V(255,n.b-U(255*-(r/100)))),e(n)}function m(t,r){r=0===r?0:r||10;var n=e(t).toHsl();return n.l-=r/100,n.l=E(n.l),e(n)}function g(t,r){var n=e(t).toHsl(),i=(U(n.h)+r)%360;return n.h=0>i?360+i:i,e(n)}function y(t){var r=e(t).toHsl();return r.h=(r.h+180)%360,e(r)}function b(t){var r=e(t).toHsl(),n=r.h;return[e(t),e({h:(n+120)%360,s:r.s,l:r.l}),e({h:(n+240)%360,s:r.s,l:r.l})]}function x(t){var r=e(t).toHsl(),n=r.h;return[e(t),e({h:(n+90)%360,s:r.s,l:r.l}),e({h:(n+180)%360,s:r.s,l:r.l}),e({h:(n+270)%360,s:r.s,l:r.l})]}function _(t){var r=e(t).toHsl(),n=r.h;return[e(t),e({h:(n+72)%360,s:r.s,l:r.l}),e({h:(n+216)%360,s:r.s,l:r.l})]}function w(t,r,n){r=r||6,n=n||30;var i=e(t).toHsl(),o=360/n,a=[e(t)];for(i.h=(i.h-(o*r>>1)+720)%360;--r;)i.h=(i.h+o)%360,a.push(e(i));return a}function M(t,r){r=r||6;for(var n=e(t).toHsv(),i=n.h,o=n.s,a=n.v,s=[],l=1/r;r--;)s.push(e({h:i,s:o,v:a})),a=(a+l)%1;return s}function k(t){var e={};for(var r in t)t.hasOwnProperty(r)&&(e[t[r]]=r);return e}function A(t){return t=parseFloat(t),(isNaN(t)||0>t||t>1)&&(t=1),t}function T(t,e){L(t)&&(t=\"100%\");var r=z(t);return t=V(e,q(0,parseFloat(t))),r&&(t=parseInt(t*e,10)/100),B.abs(t-e)<1e-6?1:t%e/parseFloat(e)}function E(t){return V(1,q(0,t))}function S(t){return parseInt(t,16)}function L(t){return\"string\"==typeof t&&-1!=t.indexOf(\".\")&&1===parseFloat(t)}function z(t){return\"string\"==typeof t&&-1!=t.indexOf(\"%\")}function I(t){return 1==t.length?\"0\"+t:\"\"+t}function P(t){return 1>=t&&(t=100*t+\"%\"),t}function C(t){return Math.round(255*parseFloat(t)).toString(16)}function R(t){return S(t)/255}function D(t){t=t.replace(F,\"\").replace(j,\"\").toLowerCase();var e=!1;if(H[t])t=H[t],e=!0;else if(\"transparent\"==t)return{r:0,g:0,b:0,a:0,format:\"name\"};var r;return(r=Y.rgb.exec(t))?{r:r[1],g:r[2],b:r[3]}:(r=Y.rgba.exec(t))?{r:r[1],g:r[2],b:r[3],a:r[4]}:(r=Y.hsl.exec(t))?{h:r[1],s:r[2],l:r[3]}:(r=Y.hsla.exec(t))?{h:r[1],s:r[2],l:r[3],a:r[4]}:(r=Y.hsv.exec(t))?{h:r[1],s:r[2],v:r[3]}:(r=Y.hsva.exec(t))?{h:r[1],s:r[2],v:r[3],a:r[4]}:(r=Y.hex8.exec(t))?{a:R(r[1]),r:S(r[2]),g:S(r[3]),b:S(r[4]),format:e?\"name\":\"hex8\"}:(r=Y.hex6.exec(t))?{r:S(r[1]),g:S(r[2]),b:S(r[3]),format:e?\"name\":\"hex\"}:(r=Y.hex3.exec(t))?{r:S(r[1]+\"\"+r[1]),g:S(r[2]+\"\"+r[2]),b:S(r[3]+\"\"+r[3]),format:e?\"name\":\"hex\"}:!1}function O(t){var e,r;return t=t||{level:\"AA\",size:\"small\"},e=(t.level||\"AA\").toUpperCase(),r=(t.size||\"small\").toLowerCase(),\"AA\"!==e&&\"AAA\"!==e&&(e=\"AA\"),\"small\"!==r&&\"large\"!==r&&(r=\"small\"),{level:e,size:r}}var F=/^\\s+/,j=/\\s+$/,N=0,B=Math,U=B.round,V=B.min,q=B.max,G=B.random;e.prototype={isDark:function(){return this.getBrightness()<128},isLight:function(){return!this.isDark()},isValid:function(){return this._ok},getOriginalInput:function(){return this._originalInput},getFormat:function(){return this._format},getAlpha:function(){return this._a},getBrightness:function(){var t=this.toRgb();return(299*t.r+587*t.g+114*t.b)/1e3},getLuminance:function(){var t,e,r,n,i,o,a=this.toRgb();return t=a.r/255,e=a.g/255,r=a.b/255,n=.03928>=t?t/12.92:Math.pow((t+.055)/1.055,2.4),i=.03928>=e?e/12.92:Math.pow((e+.055)/1.055,2.4),o=.03928>=r?r/12.92:Math.pow((r+.055)/1.055,2.4),.2126*n+.7152*i+.0722*o},setAlpha:function(t){return this._a=A(t),this._roundA=U(100*this._a)/100,this},toHsv:function(){var t=s(this._r,this._g,this._b);return{h:360*t.h,s:t.s,v:t.v,a:this._a}},toHsvString:function(){var t=s(this._r,this._g,this._b),e=U(360*t.h),r=U(100*t.s),n=U(100*t.v);return 1==this._a?\"hsv(\"+e+\", \"+r+\"%, \"+n+\"%)\":\"hsva(\"+e+\", \"+r+\"%, \"+n+\"%, \"+this._roundA+\")\"},toHsl:function(){var t=o(this._r,this._g,this._b);return{h:360*t.h,s:t.s,l:t.l,a:this._a}},toHslString:function(){var t=o(this._r,this._g,this._b),e=U(360*t.h),r=U(100*t.s),n=U(100*t.l);return 1==this._a?\"hsl(\"+e+\", \"+r+\"%, \"+n+\"%)\":\"hsla(\"+e+\", \"+r+\"%, \"+n+\"%, \"+this._roundA+\")\"},toHex:function(t){return u(this._r,this._g,this._b,t)},toHexString:function(t){return\"#\"+this.toHex(t)},toHex8:function(){return c(this._r,this._g,this._b,this._a)},toHex8String:function(){return\"#\"+this.toHex8()},toRgb:function(){return{r:U(this._r),g:U(this._g),b:U(this._b),a:this._a}},toRgbString:function(){return 1==this._a?\"rgb(\"+U(this._r)+\", \"+U(this._g)+\", \"+U(this._b)+\")\":\"rgba(\"+U(this._r)+\", \"+U(this._g)+\", \"+U(this._b)+\", \"+this._roundA+\")\"},toPercentageRgb:function(){return{r:U(100*T(this._r,255))+\"%\",g:U(100*T(this._g,255))+\"%\",b:U(100*T(this._b,255))+\"%\",a:this._a}},toPercentageRgbString:function(){return 1==this._a?\"rgb(\"+U(100*T(this._r,255))+\"%, \"+U(100*T(this._g,255))+\"%, \"+U(100*T(this._b,255))+\"%)\":\"rgba(\"+U(100*T(this._r,255))+\"%, \"+U(100*T(this._g,255))+\"%, \"+U(100*T(this._b,255))+\"%, \"+this._roundA+\")\"},toName:function(){return 0===this._a?\"transparent\":this._a<1?!1:X[u(this._r,this._g,this._b,!0)]||!1},toFilter:function(t){var r=\"#\"+c(this._r,this._g,this._b,this._a),n=r,i=this._gradientType?\"GradientType = 1, \":\"\";if(t){var o=e(t);n=o.toHex8String()}return\"progid:DXImageTransform.Microsoft.gradient(\"+i+\"startColorstr=\"+r+\",endColorstr=\"+n+\")\"},toString:function(t){var e=!!t;t=t||this._format;var r=!1,n=this._a<1&&this._a>=0,i=!e&&n&&(\"hex\"===t||\"hex6\"===t||\"hex3\"===t||\"name\"===t);return i?\"name\"===t&&0===this._a?this.toName():this.toRgbString():(\"rgb\"===t&&(r=this.toRgbString()),\"prgb\"===t&&(r=this.toPercentageRgbString()),\"hex\"!==t&&\"hex6\"!==t||(r=this.toHexString()),\"hex3\"===t&&(r=this.toHexString(!0)),\"hex8\"===t&&(r=this.toHex8String()),\"name\"===t&&(r=this.toName()),\"hsl\"===t&&(r=this.toHslString()),\"hsv\"===t&&(r=this.toHsvString()),r||this.toHexString())},clone:function(){return e(this.toString())},_applyModification:function(t,e){var r=t.apply(null,[this].concat([].slice.call(e)));return this._r=r._r,this._g=r._g,this._b=r._b,this.setAlpha(r._a),this},lighten:function(){return this._applyModification(p,arguments)},brighten:function(){return this._applyModification(v,arguments)},darken:function(){return this._applyModification(m,arguments)},desaturate:function(){return this._applyModification(h,arguments)},saturate:function(){return this._applyModification(f,arguments)},greyscale:function(){return this._applyModification(d,arguments)},spin:function(){return this._applyModification(g,arguments)},_applyCombination:function(t,e){return t.apply(null,[this].concat([].slice.call(e)))},analogous:function(){return this._applyCombination(w,arguments)},complement:function(){return this._applyCombination(y,arguments)},monochromatic:function(){return this._applyCombination(M,arguments)},splitcomplement:function(){return this._applyCombination(_,arguments)},triad:function(){return this._applyCombination(b,arguments)},tetrad:function(){return this._applyCombination(x,arguments)}},e.fromRatio=function(t,r){if(\"object\"==typeof t){var n={};for(var i in t)t.hasOwnProperty(i)&&(\"a\"===i?n[i]=t[i]:n[i]=P(t[i]));t=n}return e(t,r)},e.equals=function(t,r){return t&&r?e(t).toRgbString()==e(r).toRgbString():!1},e.random=function(){return e.fromRatio({r:G(),g:G(),b:G()})},e.mix=function(t,r,n){n=0===n?0:n||50;var i,o=e(t).toRgb(),a=e(r).toRgb(),s=n/100,l=2*s-1,u=a.a-o.a;i=l*u==-1?l:(l+u)/(1+l*u),i=(i+1)/2;var c=1-i,h={r:a.r*i+o.r*c,g:a.g*i+o.g*c,b:a.b*i+o.b*c,a:a.a*s+o.a*(1-s)};return e(h)},e.readability=function(t,r){var n=e(t),i=e(r);return(Math.max(n.getLuminance(),i.getLuminance())+.05)/(Math.min(n.getLuminance(),i.getLuminance())+.05)},e.isReadable=function(t,r,n){var i,o,a=e.readability(t,r);switch(o=!1,i=O(n),i.level+i.size){case\"AAsmall\":case\"AAAlarge\":o=a>=4.5;break;case\"AAlarge\":o=a>=3;break;case\"AAAsmall\":o=a>=7}return o},e.mostReadable=function(t,r,n){var i,o,a,s,l=null,u=0;n=n||{},o=n.includeFallbackColors,a=n.level,s=n.size;for(var c=0;c<r.length;c++)i=e.readability(t,r[c]),i>u&&(u=i,l=e(r[c]));return e.isReadable(t,l,{level:a,size:s})||!o?l:(n.includeFallbackColors=!1,e.mostReadable(t,[\"#fff\",\"#000\"],n))};var H=e.names={aliceblue:\"f0f8ff\",antiquewhite:\"faebd7\",aqua:\"0ff\",aquamarine:\"7fffd4\",azure:\"f0ffff\",beige:\"f5f5dc\",bisque:\"ffe4c4\",black:\"000\",blanchedalmond:\"ffebcd\",blue:\"00f\",blueviolet:\"8a2be2\",brown:\"a52a2a\",burlywood:\"deb887\",burntsienna:\"ea7e5d\",cadetblue:\"5f9ea0\",chartreuse:\"7fff00\",chocolate:\"d2691e\",coral:\"ff7f50\",cornflowerblue:\"6495ed\",cornsilk:\"fff8dc\",crimson:\"dc143c\",cyan:\"0ff\",darkblue:\"00008b\",darkcyan:\"008b8b\",darkgoldenrod:\"b8860b\",darkgray:\"a9a9a9\",darkgreen:\"006400\",darkgrey:\"a9a9a9\",darkkhaki:\"bdb76b\",darkmagenta:\"8b008b\",darkolivegreen:\"556b2f\",darkorange:\"ff8c00\",darkorchid:\"9932cc\",darkred:\"8b0000\",darksalmon:\"e9967a\",darkseagreen:\"8fbc8f\",darkslateblue:\"483d8b\",darkslategray:\"2f4f4f\",darkslategrey:\"2f4f4f\",darkturquoise:\"00ced1\",darkviolet:\"9400d3\",deeppink:\"ff1493\",deepskyblue:\"00bfff\",dimgray:\"696969\",dimgrey:\"696969\",dodgerblue:\"1e90ff\",firebrick:\"b22222\",floralwhite:\"fffaf0\",forestgreen:\"228b22\",fuchsia:\"f0f\",gainsboro:\"dcdcdc\",ghostwhite:\"f8f8ff\",gold:\"ffd700\",goldenrod:\"daa520\",gray:\"808080\",green:\"008000\",greenyellow:\"adff2f\",grey:\"808080\",honeydew:\"f0fff0\",hotpink:\"ff69b4\",indianred:\"cd5c5c\",indigo:\"4b0082\",ivory:\"fffff0\",khaki:\"f0e68c\",lavender:\"e6e6fa\",lavenderblush:\"fff0f5\",lawngreen:\"7cfc00\",lemonchiffon:\"fffacd\",lightblue:\"add8e6\",lightcoral:\"f08080\",lightcyan:\"e0ffff\",lightgoldenrodyellow:\"fafad2\",lightgray:\"d3d3d3\",lightgreen:\"90ee90\",lightgrey:\"d3d3d3\",lightpink:\"ffb6c1\",lightsalmon:\"ffa07a\",lightseagreen:\"20b2aa\",lightskyblue:\"87cefa\",lightslategray:\"789\",lightslategrey:\"789\",lightsteelblue:\"b0c4de\",lightyellow:\"ffffe0\",lime:\"0f0\",limegreen:\"32cd32\",linen:\"faf0e6\",magenta:\"f0f\",maroon:\"800000\",mediumaquamarine:\"66cdaa\",mediumblue:\"0000cd\",mediumorchid:\"ba55d3\",mediumpurple:\"9370db\",mediumseagreen:\"3cb371\",mediumslateblue:\"7b68ee\",mediumspringgreen:\"00fa9a\",mediumturquoise:\"48d1cc\",mediumvioletred:\"c71585\",midnightblue:\"191970\",mintcream:\"f5fffa\",mistyrose:\"ffe4e1\",moccasin:\"ffe4b5\",navajowhite:\"ffdead\",navy:\"000080\",oldlace:\"fdf5e6\",olive:\"808000\",olivedrab:\"6b8e23\",orange:\"ffa500\",orangered:\"ff4500\",orchid:\"da70d6\",palegoldenrod:\"eee8aa\",palegreen:\"98fb98\",paleturquoise:\"afeeee\",palevioletred:\"db7093\",papayawhip:\"ffefd5\",peachpuff:\"ffdab9\",peru:\"cd853f\",pink:\"ffc0cb\",plum:\"dda0dd\",powderblue:\"b0e0e6\",purple:\"800080\",rebeccapurple:\"663399\",red:\"f00\",rosybrown:\"bc8f8f\",royalblue:\"4169e1\",saddlebrown:\"8b4513\",salmon:\"fa8072\",sandybrown:\"f4a460\",seagreen:\"2e8b57\",seashell:\"fff5ee\",sienna:\"a0522d\",silver:\"c0c0c0\",skyblue:\"87ceeb\",slateblue:\"6a5acd\",slategray:\"708090\",slategrey:\"708090\",snow:\"fffafa\",springgreen:\"00ff7f\",steelblue:\"4682b4\",tan:\"d2b48c\",teal:\"008080\",thistle:\"d8bfd8\",tomato:\"ff6347\",turquoise:\"40e0d0\",violet:\"ee82ee\",wheat:\"f5deb3\",white:\"fff\",whitesmoke:\"f5f5f5\",yellow:\"ff0\",yellowgreen:\"9acd32\"},X=e.hexNames=k(H),Y=function(){var t=\"[-\\\\+]?\\\\d+%?\",e=\"[-\\\\+]?\\\\d*\\\\.\\\\d+%?\",r=\"(?:\"+e+\")|(?:\"+t+\")\",n=\"[\\\\s|\\\\(]+(\"+r+\")[,|\\\\s]+(\"+r+\")[,|\\\\s]+(\"+r+\")\\\\s*\\\\)?\",i=\"[\\\\s|\\\\(]+(\"+r+\")[,|\\\\s]+(\"+r+\")[,|\\\\s]+(\"+r+\")[,|\\\\s]+(\"+r+\")\\\\s*\\\\)?\";return{rgb:new RegExp(\"rgb\"+n),rgba:new RegExp(\"rgba\"+i),hsl:new RegExp(\"hsl\"+n),hsla:new RegExp(\"hsla\"+i),hsv:new RegExp(\"hsv\"+n),hsva:new RegExp(\"hsva\"+i),hex3:/^#?([0-9a-fA-F]{1})([0-9a-fA-F]{1})([0-9a-fA-F]{1})$/,hex6:/^#?([0-9a-fA-F]{2})([0-9a-fA-F]{2})([0-9a-fA-F]{2})$/,hex8:/^#?([0-9a-fA-F]{2})([0-9a-fA-F]{2})([0-9a-fA-F]{2})([0-9a-fA-F]{2})$/}}();\"undefined\"!=typeof r&&r.exports?r.exports=e:\"function\"==typeof t&&t.amd?t(function(){return e}):window.tinycolor=e}()},{}],455:[function(e,r,n){!function(e,i){\"object\"==typeof n&&\"undefined\"!=typeof r?i(n):\"function\"==typeof t&&t.amd?t([\"exports\"],i):i(e.topojson={})}(this,function(t){\"use strict\";function e(){}function r(t){if(!t)return e;var r,n,i=t.scale[0],o=t.scale[1],a=t.translate[0],s=t.translate[1];return function(t,e){e||(r=n=0),t[0]=(r+=t[0])*i+a,t[1]=(n+=t[1])*o+s}}function n(t){if(!t)return e;var r,n,i=t.scale[0],o=t.scale[1],a=t.translate[0],s=t.translate[1];return function(t,e){e||(r=n=0);var l=(t[0]-a)/i|0,u=(t[1]-s)/o|0;t[0]=l-r,t[1]=u-n,r=l,n=u}}function i(t,e){for(var r,n=t.length,i=n-e;i<--n;)r=t[i],t[i++]=t[n],t[n]=r}function o(t,e){for(var r=0,n=t.length;n>r;){var i=r+n>>>1;t[i]<e?r=i+1:n=i}return r}function a(t,e){return\"GeometryCollection\"===e.type?{type:\"FeatureCollection\",features:e.geometries.map(function(e){return s(t,e)})}:s(t,e)}function s(t,e){var r={type:\"Feature\",id:e.id,properties:e.properties||{},geometry:l(t,e)};return null==e.id&&delete r.id,r}function l(t,e){function n(t,e){e.length&&e.pop();for(var r,n=h[0>t?~t:t],o=0,a=n.length;a>o;++o)e.push(r=n[o].slice()),c(r,o);0>t&&i(e,a)}function o(t){return t=t.slice(),c(t,0),t}function a(t){for(var e=[],r=0,i=t.length;i>r;++r)n(t[r],e);return e.length<2&&e.push(e[0].slice()),e}function s(t){for(var e=a(t);e.length<4;)e.push(e[0].slice());return e}function l(t){return t.map(s)}function u(t){var e=t.type;return\"GeometryCollection\"===e?{type:e,geometries:t.geometries.map(u)}:e in f?{type:e,coordinates:f[e](t)}:null}var c=r(t.transform),h=t.arcs,f={Point:function(t){return o(t.coordinates)},MultiPoint:function(t){return t.coordinates.map(o)},LineString:function(t){return a(t.arcs)},MultiLineString:function(t){return t.arcs.map(a)},Polygon:function(t){return l(t.arcs)},MultiPolygon:function(t){return t.arcs.map(l)}};return u(e)}function u(t,e){function r(e){var r,n=t.arcs[0>e?~e:e],i=n[0];return t.transform?(r=[0,0],n.forEach(function(t){r[0]+=t[0],r[1]+=t[1]})):r=n[n.length-1],0>e?[r,i]:[i,r]}function n(t,e){for(var r in t){var n=t[r];delete e[n.start],delete n.start,delete n.end,n.forEach(function(t){i[0>t?~t:t]=1}),s.push(n)}}var i={},o={},a={},s=[],l=-1;return e.forEach(function(r,n){var i,o=t.arcs[0>r?~r:r];o.length<3&&!o[1][0]&&!o[1][1]&&(i=e[++l],e[l]=r,e[n]=i)}),e.forEach(function(t){var e,n,i=r(t),s=i[0],l=i[1];if(e=a[s])if(delete a[e.end],e.push(t),e.end=l,n=o[l]){delete o[n.start];var u=n===e?e:e.concat(n);o[u.start=e.start]=a[u.end=n.end]=u}else o[e.start]=a[e.end]=e;else if(e=o[l])if(delete o[e.start],e.unshift(t),e.start=s,n=a[s]){delete a[n.end];var c=n===e?e:n.concat(e);o[c.start=n.start]=a[c.end=e.end]=c}else o[e.start]=a[e.end]=e;else e=[t],o[e.start=s]=a[e.end=l]=e}),n(a,o),n(o,a),e.forEach(function(t){i[0>t?~t:t]||s.push([t])}),s}function c(t){return l(t,h.apply(this,arguments))}function h(t,e,r){function n(t){var e=0>t?~t:t;(c[e]||(c[e]=[])).push({i:t,g:l})}function i(t){t.forEach(n)}function o(t){t.forEach(i)}function a(t){\"GeometryCollection\"===t.type?t.geometries.forEach(a):t.type in h&&(l=t,h[t.type](t.arcs))}var s=[];if(arguments.length>1){var l,c=[],h={LineString:i,MultiLineString:o,Polygon:o,MultiPolygon:function(t){t.forEach(o)}};a(e),c.forEach(arguments.length<3?function(t){s.push(t[0].i)}:function(t){r(t[0].g,t[t.length-1].g)&&s.push(t[0].i)})}else for(var f=0,d=t.arcs.length;d>f;++f)s.push(f);return{type:\"MultiLineString\",arcs:u(t,s)}}function f(t){var e=t[0],r=t[1],n=t[2];return Math.abs((e[0]-n[0])*(r[1]-e[1])-(e[0]-r[0])*(n[1]-e[1]))}function d(t){for(var e,r=-1,n=t.length,i=t[n-1],o=0;++r<n;)e=i,i=t[r],o+=e[0]*i[1]-e[1]*i[0];return o/2}function p(t){return l(t,v.apply(this,arguments))}function v(t,e){function r(t){t.forEach(function(e){e.forEach(function(e){(i[e=0>e?~e:e]||(i[e]=[])).push(t)})}),o.push(t)}function n(e){return d(l(t,{type:\"Polygon\",arcs:[e]}).coordinates[0])>0}var i={},o=[],a=[];return e.forEach(function(t){\"Polygon\"===t.type?r(t.arcs):\"MultiPolygon\"===t.type&&t.arcs.forEach(r)}),o.forEach(function(t){if(!t._){var e=[],r=[t];for(t._=1,a.push(e);t=r.pop();)e.push(t),t.forEach(function(t){t.forEach(function(t){i[0>t?~t:t].forEach(function(t){t._||(t._=1,r.push(t))})})})}}),o.forEach(function(t){delete t._}),{type:\"MultiPolygon\",arcs:a.map(function(e){var r,o=[];if(e.forEach(function(t){t.forEach(function(t){t.forEach(function(t){i[0>t?~t:t].length<2&&o.push(t)})})}),o=u(t,o),(r=o.length)>1)for(var a,s=n(e[0][0]),l=0;r>l;++l)if(s===n(o[l])){a=o[0],o[0]=o[l],o[l]=a;break}return o})}}function m(t){function e(t,e){t.forEach(function(t){0>t&&(t=~t);var r=i[t];r?r.push(e):i[t]=[e]})}function r(t,r){t.forEach(function(t){e(t,r)})}function n(t,e){\n\"GeometryCollection\"===t.type?t.geometries.forEach(function(t){n(t,e)}):t.type in s&&s[t.type](t.arcs,e)}var i={},a=t.map(function(){return[]}),s={LineString:e,MultiLineString:r,Polygon:r,MultiPolygon:function(t,e){t.forEach(function(t){r(t,e)})}};t.forEach(n);for(var l in i)for(var u=i[l],c=u.length,h=0;c>h;++h)for(var f=h+1;c>f;++f){var d,p=u[h],v=u[f];(d=a[p])[l=o(d,v)]!==v&&d.splice(l,0,v),(d=a[v])[l=o(d,p)]!==p&&d.splice(l,0,p)}return a}function g(t,e){return t[1][2]-e[1][2]}function y(){function t(t,e){for(;e>0;){var r=(e+1>>1)-1,i=n[r];if(g(t,i)>=0)break;n[i._=e]=i,n[t._=e=r]=t}}function e(t,e){for(;;){var r=e+1<<1,o=r-1,a=e,s=n[a];if(i>o&&g(n[o],s)<0&&(s=n[a=o]),i>r&&g(n[r],s)<0&&(s=n[a=r]),a===e)break;n[s._=e]=s,n[t._=e=a]=t}}var r={},n=[],i=0;return r.push=function(e){return t(n[e._=i]=e,i++),i},r.pop=function(){if(!(0>=i)){var t,r=n[0];return--i>0&&(t=n[i],e(n[t._=0]=t,0)),r}},r.remove=function(r){var o,a=r._;if(n[a]===r)return a!==--i&&(o=n[i],(g(o,r)<0?t:e)(n[o._=a]=o,a)),a},r}function b(t,e){function i(t){s.remove(t),t[1][2]=e(t),s.push(t)}var o=r(t.transform),a=n(t.transform),s=y();return e||(e=f),t.arcs.forEach(function(t){var r,n,l,u,c=[],h=0;for(n=0,l=t.length;l>n;++n)u=t[n],o(t[n]=[u[0],u[1],1/0],n);for(n=1,l=t.length-1;l>n;++n)r=t.slice(n-1,n+2),r[1][2]=e(r),c.push(r),s.push(r);for(n=0,l=c.length;l>n;++n)r=c[n],r.previous=c[n-1],r.next=c[n+1];for(;r=s.pop();){var f=r.previous,d=r.next;r[1][2]<h?r[1][2]=h:h=r[1][2],f&&(f.next=d,f[2]=r[2],i(f)),d&&(d.previous=f,d[0]=r[0],i(d))}t.forEach(a)}),t}var x=\"1.6.24\";t.version=x,t.mesh=c,t.meshArcs=h,t.merge=p,t.mergeArcs=v,t.feature=a,t.neighbors=m,t.presimplify=b})},{}],456:[function(t,e,r){\"use strict\";function n(t,e,r){var n=t*e,o=i*t,a=o-t,s=o-a,l=t-s,u=i*e,c=u-e,h=u-c,f=e-h,d=n-s*h,p=d-l*h,v=p-s*f,m=l*f-v;return r?(r[0]=m,r[1]=n,r):[m,n]}e.exports=n;var i=+(Math.pow(2,27)+1)},{}],457:[function(t,e,r){\"use strict\";function n(t,e,r){var n=t+e,i=n-t,o=n-i,a=e-i,s=t-o;return r?(r[0]=s+a,r[1]=n,r):[s+a,n]}e.exports=n},{}],458:[function(t,e,r){(function(e,n){\"use strict\";function i(t){if(t){var e=t.length||t.byteLength,r=y.log2(e);w[r].push(t)}}function o(t){i(t.buffer)}function a(t){var t=y.nextPow2(t),e=y.log2(t),r=w[e];return r.length>0?r.pop():new ArrayBuffer(t)}function s(t){return new Uint8Array(a(t),0,t)}function l(t){return new Uint16Array(a(2*t),0,t)}function u(t){return new Uint32Array(a(4*t),0,t)}function c(t){return new Int8Array(a(t),0,t)}function h(t){return new Int16Array(a(2*t),0,t)}function f(t){return new Int32Array(a(4*t),0,t)}function d(t){return new Float32Array(a(4*t),0,t)}function p(t){return new Float64Array(a(8*t),0,t)}function v(t){return x?new Uint8ClampedArray(a(t),0,t):s(t)}function m(t){return new DataView(a(t),0,t)}function g(t){t=y.nextPow2(t);var e=y.log2(t),r=M[e];return r.length>0?r.pop():new n(t)}var y=t(\"bit-twiddle\"),b=t(\"dup\");e.__TYPEDARRAY_POOL||(e.__TYPEDARRAY_POOL={UINT8:b([32,0]),UINT16:b([32,0]),UINT32:b([32,0]),INT8:b([32,0]),INT16:b([32,0]),INT32:b([32,0]),FLOAT:b([32,0]),DOUBLE:b([32,0]),DATA:b([32,0]),UINT8C:b([32,0]),BUFFER:b([32,0])});var x=\"undefined\"!=typeof Uint8ClampedArray,_=e.__TYPEDARRAY_POOL;_.UINT8C||(_.UINT8C=b([32,0])),_.BUFFER||(_.BUFFER=b([32,0]));var w=_.DATA,M=_.BUFFER;r.free=function(t){if(n.isBuffer(t))M[y.log2(t.length)].push(t);else{if(\"[object ArrayBuffer]\"!==Object.prototype.toString.call(t)&&(t=t.buffer),!t)return;var e=t.length||t.byteLength,r=0|y.log2(e);w[r].push(t)}},r.freeUint8=r.freeUint16=r.freeUint32=r.freeInt8=r.freeInt16=r.freeInt32=r.freeFloat32=r.freeFloat=r.freeFloat64=r.freeDouble=r.freeUint8Clamped=r.freeDataView=o,r.freeArrayBuffer=i,r.freeBuffer=function(t){M[y.log2(t.length)].push(t)},r.malloc=function(t,e){if(void 0===e||\"arraybuffer\"===e)return a(t);switch(e){case\"uint8\":return s(t);case\"uint16\":return l(t);case\"uint32\":return u(t);case\"int8\":return c(t);case\"int16\":return h(t);case\"int32\":return f(t);case\"float\":case\"float32\":return d(t);case\"double\":case\"float64\":return p(t);case\"uint8_clamped\":return v(t);case\"buffer\":return g(t);case\"data\":case\"dataview\":return m(t);default:return null}return null},r.mallocArrayBuffer=a,r.mallocUint8=s,r.mallocUint16=l,r.mallocUint32=u,r.mallocInt8=c,r.mallocInt16=h,r.mallocInt32=f,r.mallocFloat32=r.mallocFloat=d,r.mallocFloat64=r.mallocDouble=p,r.mallocUint8Clamped=v,r.mallocDataView=m,r.mallocBuffer=g,r.clearCache=function(){for(var t=0;32>t;++t)_.UINT8[t].length=0,_.UINT16[t].length=0,_.UINT32[t].length=0,_.INT8[t].length=0,_.INT16[t].length=0,_.INT32[t].length=0,_.FLOAT[t].length=0,_.DOUBLE[t].length=0,_.UINT8C[t].length=0,w[t].length=0,M[t].length=0}}).call(this,\"undefined\"!=typeof global?global:\"undefined\"!=typeof self?self:\"undefined\"!=typeof window?window:{},t(\"buffer\").Buffer)},{\"bit-twiddle\":51,buffer:53,dup:121}],459:[function(t,e,r){\"use strict\";function n(t,e){for(var r=1,n=t.length,i=t[0],o=t[0],a=1;n>a;++a)if(o=i,i=t[a],e(i,o)){if(a===r){r++;continue}t[r++]=i}return t.length=r,t}function i(t){for(var e=1,r=t.length,n=t[0],i=t[0],o=1;r>o;++o,i=n)if(i=n,n=t[o],n!==i){if(o===e){e++;continue}t[e++]=n}return t.length=e,t}function o(t,e,r){return 0===t.length?t:e?(r||t.sort(e),n(t,e)):(r||t.sort(),i(t))}e.exports=o},{}],460:[function(t,e,r){\"use strict\";function n(t,e){return\"object\"==typeof e&&null!==e||(e={}),i(t,e.canvas||o,e.context||a,e)}e.exports=n;var i=t(\"./lib/vtext\"),o=null,a=null;\"undefined\"!=typeof document&&(o=document.createElement(\"canvas\"),o.width=8192,o.height=1024,a=o.getContext(\"2d\"))},{\"./lib/vtext\":461}],461:[function(t,e,r){\"use strict\";function n(t,e,r){for(var n=e.textAlign||\"start\",i=e.textBaseline||\"alphabetic\",o=[1<<30,1<<30],a=[0,0],s=t.length,l=0;s>l;++l)for(var u=t[l],c=0;2>c;++c)o[c]=0|Math.min(o[c],u[c]),a[c]=0|Math.max(a[c],u[c]);var h=0;switch(n){case\"center\":h=-.5*(o[0]+a[0]);break;case\"right\":case\"end\":h=-a[0];break;case\"left\":case\"start\":h=-o[0];break;default:throw new Error(\"vectorize-text: Unrecognized textAlign: '\"+n+\"'\")}var f=0;switch(i){case\"hanging\":case\"top\":f=-o[1];break;case\"middle\":f=-.5*(o[1]+a[1]);break;case\"alphabetic\":case\"ideographic\":f=-3*r;break;case\"bottom\":f=-a[1];break;default:throw new Error(\"vectorize-text: Unrecoginized textBaseline: '\"+i+\"'\")}var d=1/r;return\"lineHeight\"in e?d*=+e.lineHeight:\"width\"in e?d=e.width/(a[0]-o[0]):\"height\"in e&&(d=e.height/(a[1]-o[1])),t.map(function(t){return[d*(t[0]+h),d*(t[1]+f)]})}function i(t,e,r,n){var i=0|Math.ceil(e.measureText(r).width+2*n);if(i>8192)throw new Error(\"vectorize-text: String too long (sorry, this will get fixed later)\");var o=3*n;t.height<o&&(t.height=o),e.fillStyle=\"#000\",e.fillRect(0,0,t.width,t.height),e.fillStyle=\"#fff\",e.fillText(r,n,2*n);var a=e.getImageData(0,0,i,o),s=c(a.data,[o,i,4]);return s.pick(-1,-1,0).transpose(1,0)}function o(t,e){var r=u(t,128);return e?h(r.cells,r.positions,.25):{edges:r.cells,positions:r.positions}}function a(t,e,r,i){var a=o(t,i),s=n(a.positions,e,r),l=a.edges,u=\"ccw\"===e.orientation;if(f(s,l),e.polygons||e.polygon||e.polyline){for(var c=p(l,s),h=new Array(c.length),v=0;v<c.length;++v){for(var m=c[v],g=new Array(m.length),y=0;y<m.length;++y){for(var b=m[y],x=new Array(b.length),_=0;_<b.length;++_)x[_]=s[b[_]].slice();u&&x.reverse(),g[y]=x}h[v]=g}return h}return e.triangles||e.triangulate||e.triangle?{cells:d(s,l,{delaunay:!1,exterior:!1,interior:!0}),positions:s}:{edges:l,positions:s}}function s(t,e,r){try{return a(t,e,r,!0)}catch(n){}try{return a(t,e,r,!1)}catch(n){}return e.polygons||e.polyline||e.polygon?[]:e.triangles||e.triangulate||e.triangle?{cells:[],positions:[]}:{edges:[],positions:[]}}function l(t,e,r,n){var o=n.size||64,a=n.font||\"normal\";r.font=o+\"px \"+a,r.textAlign=\"start\",r.textBaseline=\"alphabetic\",r.direction=\"ltr\";var l=i(e,r,t,o);return s(l,n,o)}e.exports=l,e.exports.processPixels=s;var u=t(\"surface-nets\"),c=t(\"ndarray\"),h=t(\"simplify-planar-graph\"),f=t(\"clean-pslg\"),d=t(\"cdt2d\"),p=t(\"planar-graph-to-polyline\")},{cdt2d:63,\"clean-pslg\":70,ndarray:433,\"planar-graph-to-polyline\":474,\"simplify-planar-graph\":478,\"surface-nets\":452}],462:[function(t,e,r){\"use strict\";function n(t,e){for(var r=i(t,e.length),n=new Array(e.length),o=new Array(e.length),a=[],s=0;s<e.length;++s){var l=r[s].length;o[s]=l,n[s]=!0,1>=l&&a.push(s)}for(;a.length>0;){var u=a.pop();n[u]=!1;for(var c=r[u],s=0;s<c.length;++s){var h=c[s];0===--o[h]&&a.push(h)}}for(var f=new Array(e.length),d=[],s=0;s<e.length;++s)if(n[s]){var u=d.length;f[s]=u,d.push(e[s])}else f[s]=-1;for(var p=[],s=0;s<t.length;++s){var v=t[s];n[v[0]]&&n[v[1]]&&p.push([f[v[0]],f[v[1]]])}return[p,d]}e.exports=n;var i=t(\"edges-to-adjacency-list\")},{\"edges-to-adjacency-list\":463}],463:[function(t,e,r){\"use strict\";function n(t,e){var r=t.length;if(\"number\"!=typeof e){e=0;for(var n=0;r>n;++n){var o=t[n];e=Math.max(e,o[0],o[1])}e=(0|e)+1}e=0|e;for(var a=new Array(e),n=0;e>n;++n)a[n]=[];for(var n=0;r>n;++n){var o=t[n];a[o[0]].push(o[1]),a[o[1]].push(o[0])}for(var s=0;e>s;++s)i(a[s],function(t,e){return t-e});return a}e.exports=n;var i=t(\"uniq\")},{uniq:459}],464:[function(t,e,r){\"use strict\";function n(t,e){function r(t,e){var r=u[e][t[e]];r.splice(r.indexOf(t),1)}function n(t,n,o){for(var a,s,l,c=0;2>c;++c)if(u[c][n].length>0){a=u[c][n][0],l=c;break}s=a[1^l];for(var h=0;2>h;++h)for(var f=u[h][n],d=0;d<f.length;++d){var p=f[d],v=p[1^h],m=i(e[t],e[n],e[s],e[v]);m>0&&(a=p,s=v,l=h)}return o?s:(a&&r(a,l),s)}function o(t,o){var a=u[o][t][0],s=[t];r(a,o);for(var l=a[1^o];;){for(;l!==t;)s.push(l),l=n(s[s.length-2],l,!1);if(u[0][t].length+u[1][t].length===0)break;var c=s[s.length-1],h=t,f=s[1],d=n(c,h,!0);if(i(e[c],e[h],e[f],e[d])<0)break;s.push(t),l=n(c,h)}return s}function a(t,e){return e[1]===e[e.length-1]}for(var s=0|e.length,l=t.length,u=[new Array(s),new Array(s)],c=0;s>c;++c)u[0][c]=[],u[1][c]=[];for(var c=0;l>c;++c){var h=t[c];u[0][h[0]].push(h),u[1][h[1]].push(h)}for(var f=[],c=0;s>c;++c)u[0][c].length+u[1][c].length===0&&f.push([c]);for(var c=0;s>c;++c)for(var d=0;2>d;++d){for(var p=[];u[d][c].length>0;){var v=(u[0][c].length,o(c,d));a(p,v)?p.push.apply(p,v):(p.length>0&&f.push(p),p=v)}p.length>0&&f.push(p)}return f}e.exports=n;var i=t(\"compare-angle\")},{\"compare-angle\":465}],465:[function(t,e,r){\"use strict\";function n(t,e,r){var n=s(t[0],-e[0]),i=s(t[1],-e[1]),o=s(r[0],-e[0]),a=s(r[1],-e[1]),c=u(l(n,o),l(i,a));return c[c.length-1]>=0}function i(t,e,r,i){var s=o(e,r,i);if(0===s){var l=a(o(t,e,r)),u=a(o(t,e,i));if(l===u){if(0===l){var c=n(t,e,r),h=n(t,e,i);return c===h?0:c?1:-1}return 0}return 0===u?l>0?-1:n(t,e,i)?-1:1:0===l?u>0?1:n(t,e,r)?1:-1:a(u-l)}var f=o(t,e,r);if(f>0)return s>0&&o(t,e,i)>0?1:-1;if(0>f)return s>0||o(t,e,i)>0?1:-1;var d=o(t,e,i);return d>0?1:n(t,e,r)?1:-1}e.exports=i;var o=t(\"robust-orientation\"),a=t(\"signum\"),s=t(\"two-sum\"),l=t(\"robust-product\"),u=t(\"robust-sum\")},{\"robust-orientation\":439,\"robust-product\":466,\"robust-sum\":442,signum:467,\"two-sum\":457}],466:[function(t,e,r){\"use strict\";function n(t,e){if(1===t.length)return o(e,t[0]);if(1===e.length)return o(t,e[0]);if(0===t.length||0===e.length)return[0];var r=[0];if(t.length<e.length)for(var n=0;n<t.length;++n)r=i(r,o(e,t[n]));else for(var n=0;n<e.length;++n)r=i(r,o(t,e[n]));return r}var i=t(\"robust-sum\"),o=t(\"robust-scale\");e.exports=n},{\"robust-scale\":440,\"robust-sum\":442}],467:[function(t,e,r){\"use strict\";e.exports=function(t){return 0>t?-1:t>0?1:0}},{}],468:[function(t,e,r){arguments[4][22][0].apply(r,arguments)},{dup:22}],469:[function(t,e,r){\"use strict\";function n(t,e,r,n,i){this.mid=t,this.left=e,this.right=r,this.leftPoints=n,this.rightPoints=i,this.count=(e?e.count:0)+(r?r.count:0)+n.length}function i(t,e){t.mid=e.mid,t.left=e.left,t.right=e.right,t.leftPoints=e.leftPoints,t.rightPoints=e.rightPoints,t.count=e.count}function o(t,e){var r=p(e);t.mid=r.mid,t.left=r.left,t.right=r.right,t.leftPoints=r.leftPoints,t.rightPoints=r.rightPoints,t.count=r.count}function a(t,e){var r=t.intervals([]);r.push(e),o(t,r)}function s(t,e){var r=t.intervals([]),n=r.indexOf(e);return 0>n?y:(r.splice(n,1),o(t,r),b)}function l(t,e,r){for(var n=0;n<t.length&&t[n][0]<=e;++n){var i=r(t[n]);if(i)return i}}function u(t,e,r){for(var n=t.length-1;n>=0&&t[n][1]>=e;--n){var i=r(t[n]);if(i)return i}}function c(t,e){for(var r=0;r<t.length;++r){var n=e(t[r]);if(n)return n}}function h(t,e){return t-e}function f(t,e){var r=t[0]-e[0];return r?r:t[1]-e[1]}function d(t,e){var r=t[1]-e[1];return r?r:t[0]-e[0]}function p(t){if(0===t.length)return null;for(var e=[],r=0;r<t.length;++r)e.push(t[r][0],t[r][1]);e.sort(h);for(var i=e[e.length>>1],o=[],a=[],s=[],r=0;r<t.length;++r){var l=t[r];l[1]<i?o.push(l):i<l[0]?a.push(l):s.push(l)}var u=s,c=s.slice();return u.sort(f),c.sort(d),new n(i,p(o),p(a),u,c)}function v(t){this.root=t}function m(t){return new v(t&&0!==t.length?p(t):null)}var g=t(\"binary-search-bounds\"),y=0,b=1,x=2;e.exports=m;var _=n.prototype;_.intervals=function(t){return t.push.apply(t,this.leftPoints),this.left&&this.left.intervals(t),this.right&&this.right.intervals(t),t},_.insert=function(t){var e=this.count-this.leftPoints.length;if(this.count+=1,t[1]<this.mid)this.left?4*(this.left.count+1)>3*(e+1)?a(this,t):this.left.insert(t):this.left=p([t]);else if(t[0]>this.mid)this.right?4*(this.right.count+1)>3*(e+1)?a(this,t):this.right.insert(t):this.right=p([t]);else{var r=g.ge(this.leftPoints,t,f),n=g.ge(this.rightPoints,t,d);this.leftPoints.splice(r,0,t),this.rightPoints.splice(n,0,t)}},_.remove=function(t){var e=this.count-this.leftPoints;if(t[1]<this.mid){if(!this.left)return y;var r=this.right?this.right.count:0;if(4*r>3*(e-1))return s(this,t);var n=this.left.remove(t);return n===x?(this.left=null,this.count-=1,b):(n===b&&(this.count-=1),n)}if(t[0]>this.mid){if(!this.right)return y;var o=this.left?this.left.count:0;if(4*o>3*(e-1))return s(this,t);var n=this.right.remove(t);return n===x?(this.right=null,this.count-=1,b):(n===b&&(this.count-=1),n)}if(1===this.count)return this.leftPoints[0]===t?x:y;if(1===this.leftPoints.length&&this.leftPoints[0]===t){if(this.left&&this.right){for(var a=this,l=this.left;l.right;)a=l,l=l.right;if(a===this)l.right=this.right;else{var u=this.left,n=this.right;a.count-=l.count,a.right=l.left,l.left=u,l.right=n}i(this,l),this.count=(this.left?this.left.count:0)+(this.right?this.right.count:0)+this.leftPoints.length}else this.left?i(this,this.left):i(this,this.right);return b}for(var u=g.ge(this.leftPoints,t,f);u<this.leftPoints.length&&this.leftPoints[u][0]===t[0];++u)if(this.leftPoints[u]===t){this.count-=1,this.leftPoints.splice(u,1);for(var n=g.ge(this.rightPoints,t,d);n<this.rightPoints.length&&this.rightPoints[n][1]===t[1];++n)if(this.rightPoints[n]===t)return this.rightPoints.splice(n,1),b}return y},_.queryPoint=function(t,e){if(t<this.mid){if(this.left){var r=this.left.queryPoint(t,e);if(r)return r}return l(this.leftPoints,t,e)}if(t>this.mid){if(this.right){var r=this.right.queryPoint(t,e);if(r)return r}return u(this.rightPoints,t,e)}return c(this.leftPoints,e)},_.queryInterval=function(t,e,r){if(t<this.mid&&this.left){var n=this.left.queryInterval(t,e,r);if(n)return n}if(e>this.mid&&this.right){var n=this.right.queryInterval(t,e,r);if(n)return n}return e<this.mid?l(this.leftPoints,e,r):t>this.mid?u(this.rightPoints,t,r):c(this.leftPoints,r)};var w=v.prototype;w.insert=function(t){this.root?this.root.insert(t):this.root=new n(t[0],null,null,[t],[t])},w.remove=function(t){if(this.root){var e=this.root.remove(t);return e===x&&(this.root=null),e!==y}return!1},w.queryPoint=function(t,e){return this.root?this.root.queryPoint(t,e):void 0},w.queryInterval=function(t,e,r){return e>=t&&this.root?this.root.queryInterval(t,e,r):void 0},Object.defineProperty(w,\"count\",{get:function(){return this.root?this.root.count:0}}),Object.defineProperty(w,\"intervals\",{get:function(){return this.root?this.root.intervals([]):[]}})},{\"binary-search-bounds\":468}],470:[function(t,e,r){\"use strict\";function n(t,e){var r,n;if(e[0][0]<e[1][0])r=e[0],n=e[1];else{if(!(e[0][0]>e[1][0])){var i=Math.min(t[0][1],t[1][1]),a=Math.max(t[0][1],t[1][1]),s=Math.min(e[0][1],e[1][1]),l=Math.max(e[0][1],e[1][1]);return s>a?a-s:i>l?i-l:a-l}r=e[1],n=e[0]}var u,c;t[0][1]<t[1][1]?(u=t[0],c=t[1]):(u=t[1],c=t[0]);var h=o(n,r,u);return h?h:(h=o(n,r,c),h?h:c-n)}function i(t,e){var r,i;if(e[0][0]<e[1][0])r=e[0],i=e[1];else{if(!(e[0][0]>e[1][0]))return n(e,t);r=e[1],i=e[0]}var a,s;if(t[0][0]<t[1][0])a=t[0],s=t[1];else{if(!(t[0][0]>t[1][0]))return-n(t,e);a=t[1],s=t[0]}var l=o(r,i,s),u=o(r,i,a);if(0>l){if(0>=u)return l}else if(l>0){if(u>=0)return l}else if(u)return u;if(l=o(s,a,i),u=o(s,a,r),0>l){if(0>=u)return l}else if(l>0){if(u>=0)return l}else if(u)return u;return i[0]-s[0]}e.exports=i;var o=t(\"robust-orientation\")},{\"robust-orientation\":439}],471:[function(t,e,r){\"use strict\";function n(t,e,r,n,i,o){this._color=t,this.key=e,this.value=r,this.left=n,this.right=i,this._count=o}function i(t){return new n(t._color,t.key,t.value,t.left,t.right,t._count)}function o(t,e){return new n(t,e.key,e.value,e.left,e.right,e._count)}function a(t){t._count=1+(t.left?t.left._count:0)+(t.right?t.right._count:0)}function s(t,e){this._compare=t,this.root=e}function l(t,e){if(e.left){var r=l(t,e.left);if(r)return r}var r=t(e.key,e.value);return r?r:e.right?l(t,e.right):void 0}function u(t,e,r,n){var i=e(t,n.key);if(0>=i){if(n.left){var o=u(t,e,r,n.left);if(o)return o}var o=r(n.key,n.value);if(o)return o}return n.right?u(t,e,r,n.right):void 0}function c(t,e,r,n,i){var o,a=r(t,i.key),s=r(e,i.key);if(0>=a){if(i.left&&(o=c(t,e,r,n,i.left)))return o;if(s>0&&(o=n(i.key,i.value)))return o}return s>0&&i.right?c(t,e,r,n,i.right):void 0}function h(t,e){this.tree=t,this._stack=e}function f(t,e){t.key=e.key,t.value=e.value,t.left=e.left,t.right=e.right,t._color=e._color,t._count=e._count}function d(t){for(var e,r,n,s,l=t.length-1;l>=0;--l){if(e=t[l],0===l)return void(e._color=g);if(r=t[l-1],r.left===e){if(n=r.right,n.right&&n.right._color===m){if(n=r.right=i(n),s=n.right=i(n.right),r.right=n.left,n.left=r,n.right=s,n._color=r._color,e._color=g,r._color=g,s._color=g,a(r),a(n),l>1){var u=t[l-2];u.left===r?u.left=n:u.right=n}return void(t[l-1]=n)}if(n.left&&n.left._color===m){if(n=r.right=i(n),s=n.left=i(n.left),r.right=s.left,n.left=s.right,s.left=r,s.right=n,s._color=r._color,r._color=g,n._color=g,e._color=g,a(r),a(n),a(s),l>1){var u=t[l-2];u.left===r?u.left=s:u.right=s}return void(t[l-1]=s)}if(n._color===g){if(r._color===m)return r._color=g,void(r.right=o(m,n));r.right=o(m,n);continue}if(n=i(n),r.right=n.left,n.left=r,n._color=r._color,r._color=m,a(r),a(n),l>1){var u=t[l-2];u.left===r?u.left=n:u.right=n}t[l-1]=n,t[l]=r,l+1<t.length?t[l+1]=e:t.push(e),l+=2}else{if(n=r.left,n.left&&n.left._color===m){if(n=r.left=i(n),s=n.left=i(n.left),r.left=n.right,n.right=r,n.left=s,n._color=r._color,e._color=g,r._color=g,s._color=g,a(r),a(n),l>1){var u=t[l-2];u.right===r?u.right=n:u.left=n}return void(t[l-1]=n)}if(n.right&&n.right._color===m){if(n=r.left=i(n),s=n.right=i(n.right),r.left=s.right,n.right=s.left,s.right=r,s.left=n,s._color=r._color,r._color=g,n._color=g,e._color=g,a(r),a(n),a(s),l>1){var u=t[l-2];u.right===r?u.right=s:u.left=s}return void(t[l-1]=s)}if(n._color===g){if(r._color===m)return r._color=g,void(r.left=o(m,n));r.left=o(m,n);continue}if(n=i(n),r.left=n.right,n.right=r,n._color=r._color,r._color=m,a(r),a(n),l>1){var u=t[l-2];u.right===r?u.right=n:u.left=n}t[l-1]=n,t[l]=r,l+1<t.length?t[l+1]=e:t.push(e),l+=2}}}function p(t,e){return e>t?-1:t>e?1:0}function v(t){return new s(t||p,null)}e.exports=v;var m=0,g=1,y=s.prototype;Object.defineProperty(y,\"keys\",{get:function(){var t=[];return this.forEach(function(e,r){t.push(e)}),t}}),Object.defineProperty(y,\"values\",{get:function(){var t=[];return this.forEach(function(e,r){t.push(r)}),t}}),Object.defineProperty(y,\"length\",{get:function(){return this.root?this.root._count:0}}),y.insert=function(t,e){for(var r=this._compare,i=this.root,l=[],u=[];i;){var c=r(t,i.key);l.push(i),u.push(c),i=0>=c?i.left:i.right}l.push(new n(m,t,e,null,null,1));for(var h=l.length-2;h>=0;--h){var i=l[h];u[h]<=0?l[h]=new n(i._color,i.key,i.value,l[h+1],i.right,i._count+1):l[h]=new n(i._color,i.key,i.value,i.left,l[h+1],i._count+1)}for(var h=l.length-1;h>1;--h){var f=l[h-1],i=l[h];if(f._color===g||i._color===g)break;var d=l[h-2];if(d.left===f)if(f.left===i){var p=d.right;if(!p||p._color!==m){if(d._color=m,d.left=f.right,f._color=g,f.right=d,l[h-2]=f,l[h-1]=i,a(d),a(f),h>=3){var v=l[h-3];v.left===d?v.left=f:v.right=f}break}f._color=g,d.right=o(g,p),d._color=m,h-=1}else{var p=d.right;if(!p||p._color!==m){if(f.right=i.left,d._color=m,d.left=i.right,i._color=g,i.left=f,i.right=d,l[h-2]=i,l[h-1]=f,a(d),a(f),a(i),h>=3){var v=l[h-3];v.left===d?v.left=i:v.right=i}break}f._color=g,d.right=o(g,p),d._color=m,h-=1}else if(f.right===i){var p=d.left;if(!p||p._color!==m){if(d._color=m,d.right=f.left,f._color=g,f.left=d,l[h-2]=f,l[h-1]=i,a(d),a(f),h>=3){var v=l[h-3];v.right===d?v.right=f:v.left=f}break}f._color=g,d.left=o(g,p),d._color=m,h-=1}else{var p=d.left;if(!p||p._color!==m){if(f.left=i.right,d._color=m,d.right=i.left,i._color=g,i.right=f,i.left=d,l[h-2]=i,l[h-1]=f,a(d),a(f),a(i),h>=3){var v=l[h-3];v.right===d?v.right=i:v.left=i}break}f._color=g,d.left=o(g,p),d._color=m,h-=1}}return l[0]._color=g,new s(r,l[0])},y.forEach=function(t,e,r){if(this.root)switch(arguments.length){case 1:return l(t,this.root);case 2:return u(e,this._compare,t,this.root);case 3:if(this._compare(e,r)>=0)return;return c(e,r,this._compare,t,this.root)}},Object.defineProperty(y,\"begin\",{get:function(){for(var t=[],e=this.root;e;)t.push(e),e=e.left;return new h(this,t)}}),Object.defineProperty(y,\"end\",{get:function(){for(var t=[],e=this.root;e;)t.push(e),e=e.right;return new h(this,t)}}),y.at=function(t){if(0>t)return new h(this,[]);for(var e=this.root,r=[];;){if(r.push(e),e.left){if(t<e.left._count){e=e.left;continue}t-=e.left._count}if(!t)return new h(this,r);if(t-=1,!e.right)break;if(t>=e.right._count)break;e=e.right}return new h(this,[])},y.ge=function(t){for(var e=this._compare,r=this.root,n=[],i=0;r;){var o=e(t,r.key);n.push(r),0>=o&&(i=n.length),r=0>=o?r.left:r.right}return n.length=i,new h(this,n)},y.gt=function(t){for(var e=this._compare,r=this.root,n=[],i=0;r;){var o=e(t,r.key);n.push(r),0>o&&(i=n.length),r=0>o?r.left:r.right}return n.length=i,new h(this,n)},y.lt=function(t){for(var e=this._compare,r=this.root,n=[],i=0;r;){var o=e(t,r.key);n.push(r),o>0&&(i=n.length),r=0>=o?r.left:r.right}return n.length=i,new h(this,n)},y.le=function(t){for(var e=this._compare,r=this.root,n=[],i=0;r;){var o=e(t,r.key);n.push(r),o>=0&&(i=n.length),r=0>o?r.left:r.right}return n.length=i,new h(this,n)},y.find=function(t){for(var e=this._compare,r=this.root,n=[];r;){var i=e(t,r.key);if(n.push(r),0===i)return new h(this,n);r=0>=i?r.left:r.right}return new h(this,[])},y.remove=function(t){var e=this.find(t);return e?e.remove():this},y.get=function(t){for(var e=this._compare,r=this.root;r;){var n=e(t,r.key);if(0===n)return r.value;r=0>=n?r.left:r.right}};var b=h.prototype;Object.defineProperty(b,\"valid\",{get:function(){return this._stack.length>0}}),Object.defineProperty(b,\"node\",{get:function(){return this._stack.length>0?this._stack[this._stack.length-1]:null},enumerable:!0}),b.clone=function(){return new h(this.tree,this._stack.slice())},b.remove=function(){var t=this._stack;if(0===t.length)return this.tree;var e=new Array(t.length),r=t[t.length-1];e[e.length-1]=new n(r._color,r.key,r.value,r.left,r.right,r._count);for(var i=t.length-2;i>=0;--i){var r=t[i];r.left===t[i+1]?e[i]=new n(r._color,r.key,r.value,e[i+1],r.right,r._count):e[i]=new n(r._color,r.key,r.value,r.left,e[i+1],r._count)}if(r=e[e.length-1],r.left&&r.right){var o=e.length;for(r=r.left;r.right;)e.push(r),r=r.right;var a=e[o-1];e.push(new n(r._color,a.key,a.value,r.left,r.right,r._count)),e[o-1].key=r.key,e[o-1].value=r.value;for(var i=e.length-2;i>=o;--i)r=e[i],e[i]=new n(r._color,r.key,r.value,r.left,e[i+1],r._count);e[o-1].left=e[o]}if(r=e[e.length-1],r._color===m){var l=e[e.length-2];l.left===r?l.left=null:l.right===r&&(l.right=null),e.pop();for(var i=0;i<e.length;++i)e[i]._count--;return new s(this.tree._compare,e[0])}if(r.left||r.right){r.left?f(r,r.left):r.right&&f(r,r.right),r._color=g;for(var i=0;i<e.length-1;++i)e[i]._count--;return new s(this.tree._compare,e[0])}if(1===e.length)return new s(this.tree._compare,null);for(var i=0;i<e.length;++i)e[i]._count--;var u=e[e.length-2];return d(e),u.left===r?u.left=null:u.right=null,new s(this.tree._compare,e[0])},Object.defineProperty(b,\"key\",{get:function(){return this._stack.length>0?this._stack[this._stack.length-1].key:void 0},enumerable:!0}),Object.defineProperty(b,\"value\",{get:function(){return this._stack.length>0?this._stack[this._stack.length-1].value:void 0},enumerable:!0}),Object.defineProperty(b,\"index\",{get:function(){var t=0,e=this._stack;if(0===e.length){var r=this.tree.root;return r?r._count:0}e[e.length-1].left&&(t=e[e.length-1].left._count);for(var n=e.length-2;n>=0;--n)e[n+1]===e[n].right&&(++t,e[n].left&&(t+=e[n].left._count));return t},enumerable:!0}),b.next=function(){var t=this._stack;if(0!==t.length){var e=t[t.length-1];if(e.right)for(e=e.right;e;)t.push(e),e=e.left;else for(t.pop();t.length>0&&t[t.length-1].right===e;)e=t[t.length-1],t.pop()}},Object.defineProperty(b,\"hasNext\",{get:function(){var t=this._stack;if(0===t.length)return!1;if(t[t.length-1].right)return!0;for(var e=t.length-1;e>0;--e)if(t[e-1].left===t[e])return!0;return!1}}),b.update=function(t){var e=this._stack;if(0===e.length)throw new Error(\"Can't update empty node!\");var r=new Array(e.length),i=e[e.length-1];r[r.length-1]=new n(i._color,i.key,t,i.left,i.right,i._count);for(var o=e.length-2;o>=0;--o)i=e[o],i.left===e[o+1]?r[o]=new n(i._color,i.key,i.value,r[o+1],i.right,i._count):r[o]=new n(i._color,i.key,i.value,i.left,r[o+1],i._count);return new s(this.tree._compare,r[0])},b.prev=function(){var t=this._stack;if(0!==t.length){var e=t[t.length-1];if(e.left)for(e=e.left;e;)t.push(e),e=e.right;else for(t.pop();t.length>0&&t[t.length-1].left===e;)e=t[t.length-1],t.pop()}},Object.defineProperty(b,\"hasPrev\",{get:function(){var t=this._stack;if(0===t.length)return!1;if(t[t.length-1].left)return!0;for(var e=t.length-1;e>0;--e)if(t[e-1].right===t[e])return!0;return!1}})},{}],472:[function(t,e,r){\"use strict\";function n(t,e,r){this.slabs=t,this.coordinates=e,this.horizontal=r}function i(t,e){return t.y-e}function o(t,e){for(var r=null;t;){var n,i,a=t.key;a[0][0]<a[1][0]?(n=a[0],i=a[1]):(n=a[1],i=a[0]);var s=h(n,i,e);if(0>s)t=t.left;else if(s>0)if(e[0]!==a[1][0])r=t,t=t.right;else{var l=o(t.right,e);if(l)return l;t=t.left}else{if(e[0]!==a[1][0])return t;var l=o(t.right,e);if(l)return l;t=t.left}}return r}function a(t,e,r,n){this.y=t,this.index=e,this.start=r,this.closed=n}function s(t,e,r,n){this.x=t,this.segment=e,this.create=r,this.index=n}function l(t){for(var e=t.length,r=2*e,i=new Array(r),o=0;e>o;++o){var l=t[o],u=l[0][0]<l[1][0];i[2*o]=new s(l[0][0],l,u,o),i[2*o+1]=new s(l[1][0],l,!u,o)}i.sort(function(t,e){var r=t.x-e.x;return r?r:(r=t.create-e.create,r?r:Math.min(t.segment[0][1],t.segment[1][1])-Math.min(e.segment[0][1],e.segment[1][1]))});for(var h=c(f),d=[],p=[],v=[],o=0;r>o;){for(var m=i[o].x,g=[];r>o;){var y=i[o];if(y.x!==m)break;o+=1,y.segment[0][0]===y.x&&y.segment[1][0]===y.x?y.create&&(y.segment[0][1]<y.segment[1][1]?(g.push(new a(y.segment[0][1],y.index,!0,!0)),g.push(new a(y.segment[1][1],y.index,!1,!1))):(g.push(new a(y.segment[1][1],y.index,!0,!1)),g.push(new a(y.segment[0][1],y.index,!1,!0)))):h=y.create?h.insert(y.segment,y.index):h.remove(y.segment)}d.push(h.root),p.push(m),v.push(g)}return new n(d,p,v)}e.exports=l;var u=t(\"binary-search-bounds\"),c=t(\"functional-red-black-tree\"),h=t(\"robust-orientation\"),f=t(\"./lib/order-segments\"),d=n.prototype;d.castUp=function(t){var e=u.le(this.coordinates,t[0]);if(0>e)return-1;var r=(this.slabs[e],o(this.slabs[e],t)),n=-1;if(r&&(n=r.value),this.coordinates[e]===t[0]){var a=null;if(r&&(a=r.key),e>0){var s=o(this.slabs[e-1],t);s&&(a?f(s.key,a)>0&&(a=s.key,n=s.value):(n=s.value,a=s.key))}var l=this.horizontal[e];if(l.length>0){var c=u.ge(l,t[1],i);if(c<l.length){var d=l[c];if(t[1]===d.y){if(d.closed)return d.index;for(;c<l.length-1&&l[c+1].y===t[1];)if(c+=1,d=l[c],d.closed)return d.index;if(d.y===t[1]&&!d.start){if(c+=1,c>=l.length)return n;d=l[c]}}if(d.start)if(a){var p=h(a[0],a[1],[t[0],d.y]);a[0][0]>a[1][0]&&(p=-p),p>0&&(n=d.index)}else n=d.index;else d.y!==t[1]&&(n=d.index)}}}return n}},{\"./lib/order-segments\":470,\"binary-search-bounds\":468,\"functional-red-black-tree\":471,\"robust-orientation\":439}],473:[function(t,e,r){function n(){return!0}function i(t){return function(e,r){var i=t[e];return i?!!i.queryPoint(r,n):!1}}function o(t){for(var e={},r=0;r<t.length;++r){var n=t[r],o=n[0][0],a=n[0][1],s=n[1][1],l=[Math.min(a,s),Math.max(a,s)];o in e?e[o].push(l):e[o]=[l]}for(var u={},c=Object.keys(e),r=0;r<c.length;++r){var h=e[c[r]];u[c[r]]=d(h)}return i(u)}function a(t,e){return function(r){var n=p.le(e,r[0]);if(0>n)return 1;var i=t[n];if(!i){if(!(n>0&&e[n]===r[0]))return 1;i=t[n-1]}for(var o=1;i;){var a=i.key,s=h(r,a[0],a[1]);if(a[0][0]<a[1][0])if(0>s)i=i.left;else{if(!(s>0))return 0;o=-1,i=i.right}else if(s>0)i=i.left;else{if(!(0>s))return 0;o=1,i=i.right}}return o}}function s(t){return 1}function l(t){return function(e){return t(e[0],e[1])?0:1}}function u(t,e){return function(r){return t(r[0],r[1])?0:e(r)}}function c(t){for(var e=t.length,r=[],n=[],i=0;e>i;++i)for(var c=t[i],h=c.length,d=h-1,p=0;h>p;d=p++){var v=c[d],m=c[p];v[0]===m[0]?n.push([v,m]):r.push([v,m])}if(0===r.length)return 0===n.length?s:l(o(n));var g=f(r),y=a(g.slabs,g.coordinates);return 0===n.length?y:u(o(n),y)}e.exports=c;var h=t(\"robust-orientation\")[3],f=t(\"slab-decomposition\"),d=t(\"interval-tree-1d\"),p=t(\"binary-search-bounds\")},{\"binary-search-bounds\":468,\"interval-tree-1d\":469,\"robust-orientation\":439,\"slab-decomposition\":472}],474:[function(t,e,r){\"use strict\";function n(t,e){for(var r=new Array(t),n=0;t>n;++n)r[n]=e;return r}function i(t){for(var e=new Array(t),r=0;t>r;++r)e[r]=[];return e}function o(t,e){function r(t){for(var r=t.length,n=[0],i=0;r>i;++i){var o=e[t[i]],a=e[t[(i+1)%r]],s=u(-o[0],o[1]),l=u(-o[0],a[1]),h=u(a[0],o[1]),f=u(a[0],a[1]);n=c(n,c(c(s,l),c(h,f)))}return n[n.length-1]>0}function o(t){for(var e=t.length,r=0;e>r;++r)if(!R[t[r]])return!1;return!0}var d=f(t,e);t=d[0],e=d[1];for(var p=e.length,v=(t.length,a(t,e.length)),m=0;p>m;++m)if(v[m].length%2===1)throw new Error(\"planar-graph-to-polyline: graph must be manifold\");var g=s(t,e);g=g.filter(r);for(var y=g.length,b=new Array(y),x=new Array(y),m=0;y>m;++m){b[m]=m;var _=new Array(y),w=g[m].map(function(t){return e[t]}),M=l([w]),k=0;t:for(var A=0;y>A;++A)if(_[A]=0,m!==A){for(var T=g[A],E=T.length,S=0;E>S;++S){var L=M(e[T[S]]);if(0!==L){0>L&&(_[A]=1,k+=1);continue t}}_[A]=1,k+=1}x[m]=[k,m,_]}x.sort(function(t,e){return e[0]-t[0]});for(var m=0;y>m;++m)for(var _=x[m],z=_[1],I=_[2],A=0;y>A;++A)I[A]&&(b[A]=z);for(var P=i(y),m=0;y>m;++m)P[m].push(b[m]),P[b[m]].push(m);for(var C={},R=n(p,!1),m=0;y>m;++m)for(var T=g[m],E=T.length,A=0;E>A;++A){var D=T[A],O=T[(A+1)%E],F=Math.min(D,O)+\":\"+Math.max(D,O);if(F in C){var j=C[F];P[j].push(m),P[m].push(j),R[D]=R[O]=!0}else C[F]=m}for(var N=[],B=n(y,-1),m=0;y>m;++m)b[m]!==m||o(g[m])?B[m]=-1:(N.push(m),B[m]=0);for(var d=[];N.length>0;){var U=N.pop(),V=P[U];h(V,function(t,e){return t-e});var q,G=V.length,H=B[U];if(0===H){var T=g[U];q=[T]}for(var m=0;G>m;++m){var X=V[m];if(!(B[X]>=0)&&(B[X]=1^H,N.push(X),0===H)){var T=g[X];o(T)||(T.reverse(),q.push(T))}}0===H&&d.push(q)}return d}e.exports=o;var a=t(\"edges-to-adjacency-list\"),s=t(\"planar-dual\"),l=t(\"point-in-big-polygon\"),u=t(\"two-product\"),c=t(\"robust-sum\"),h=t(\"uniq\"),f=t(\"./lib/trim-leaves\")},{\"./lib/trim-leaves\":462,\"edges-to-adjacency-list\":463,\"planar-dual\":464,\"point-in-big-polygon\":473,\"robust-sum\":442,\"two-product\":456,uniq:459}],475:[function(t,e,r){arguments[4][51][0].apply(r,arguments)},{dup:51}],476:[function(t,e,r){\"use strict\";\n\"use restrict\";function n(t){this.roots=new Array(t),this.ranks=new Array(t);for(var e=0;t>e;++e)this.roots[e]=e,this.ranks[e]=0}e.exports=n,n.prototype.length=function(){return this.roots.length},n.prototype.makeSet=function(){var t=this.roots.length;return this.roots.push(t),this.ranks.push(0),t},n.prototype.find=function(t){for(var e=this.roots;e[t]!==t;){var r=e[t];e[t]=e[r],t=r}return t},n.prototype.link=function(t,e){var r=this.find(t),n=this.find(e);if(r!==n){var i=this.ranks,o=this.roots,a=i[r],s=i[n];s>a?o[r]=n:a>s?o[n]=r:(o[n]=r,++i[r])}}},{}],477:[function(t,e,r){arguments[4][244][0].apply(r,arguments)},{\"bit-twiddle\":475,dup:244,\"union-find\":476}],478:[function(t,e,r){\"use strict\";function n(t,e,r){var n=Math.abs(o(t,e,r)),i=Math.sqrt(Math.pow(e[0]-r[0],2)+Math.pow(e[1]-r[1],2));return n/i}function i(t,e,r){function i(t){if(x[t])return 1/0;var r=g[t],i=y[t];return 0>r||0>i?1/0:n(e[t],e[r],e[i])}function o(t,e){var r=A[t],n=A[e];A[t]=n,A[e]=r,T[r]=e,T[n]=t}function s(t){return b[A[t]]}function l(t){return 1&t?t-1>>1:(t>>1)-1}function u(t){for(var e=s(t);;){var r=e,n=2*t+1,i=2*(t+1),a=t;if(S>n){var l=s(n);r>l&&(a=n,r=l)}if(S>i){var u=s(i);r>u&&(a=i)}if(a===t)return t;o(t,a),t=a}}function c(t){for(var e=s(t);t>0;){var r=l(t);if(r>=0){var n=s(r);if(n>e){o(t,r),t=r;continue}}return t}}function h(){if(S>0){var t=A[0];return o(0,S-1),S-=1,u(0),t}return-1}function f(t,e){var r=A[t];return b[r]===e?t:(b[r]=-(1/0),c(t),h(),b[r]=e,S+=1,c(S-1))}function d(t){if(!x[t]){x[t]=!0;var e=g[t],r=y[t];g[r]>=0&&(g[r]=e),y[e]>=0&&(y[e]=r),T[e]>=0&&f(T[e],i(e)),T[r]>=0&&f(T[r],i(r))}}function p(t,e){if(t[e]<0)return e;var r=e,n=e;do{var i=t[n];if(!x[n]||0>i||i===n)break;if(n=i,i=t[n],!x[n]||0>i||i===n)break;n=i,r=t[r]}while(r!==n);for(var o=e;o!==n;o=t[o])t[o]=n;return n}for(var v=e.length,m=t.length,g=new Array(v),y=new Array(v),b=new Array(v),x=new Array(v),_=0;v>_;++_)g[_]=y[_]=-1,b[_]=1/0,x[_]=!1;for(var _=0;m>_;++_){var w=t[_];if(2!==w.length)throw new Error(\"Input must be a graph\");var M=w[1],k=w[0];-1!==y[k]?y[k]=-2:y[k]=M,-1!==g[M]?g[M]=-2:g[M]=k}for(var A=[],T=new Array(v),_=0;v>_;++_){var E=b[_]=i(_);1/0>E?(T[_]=A.length,A.push(_)):T[_]=-1}for(var S=A.length,_=S>>1;_>=0;--_)u(_);for(;;){var L=h();if(0>L||b[L]>r)break;d(L)}for(var z=[],_=0;v>_;++_)x[_]||(T[_]=z.length,z.push(e[_].slice()));var I=(z.length,[]);return t.forEach(function(t){var e=p(g,t[0]),r=p(y,t[1]);if(e>=0&&r>=0&&e!==r){var n=T[e],i=T[r];n!==i&&I.push([n,i])}}),a.unique(a.normalize(I)),{positions:z,edges:I}}e.exports=i;var o=t(\"robust-orientation\"),a=t(\"simplicial-complex\")},{\"robust-orientation\":439,\"simplicial-complex\":477}],479:[function(t,e,r){\"use strict\";e.exports=[\"\",{path:\"M-2.4,-3V3L0.6,0Z\",backoff:.6},{path:\"M-3.7,-2.5V2.5L1.3,0Z\",backoff:1.3},{path:\"M-4.45,-3L-1.65,-0.2V0.2L-4.45,3L1.55,0Z\",backoff:1.55},{path:\"M-2.2,-2.2L-0.2,-0.2V0.2L-2.2,2.2L-1.4,3L1.6,0L-1.4,-3Z\",backoff:1.6},{path:\"M-4.4,-2.1L-0.6,-0.2V0.2L-4.4,2.1L-4,3L2,0L-4,-3Z\",backoff:2},{path:\"M2,0A2,2 0 1,1 0,-2A2,2 0 0,1 2,0Z\",backoff:0},{path:\"M2,2V-2H-2V2Z\",backoff:0}]},{}],480:[function(t,e,r){\"use strict\";var n=t(\"./arrow_paths\"),i=t(\"../../plots/font_attributes\"),o=t(\"../../plots/cartesian/constants\"),a=t(\"../../lib/extend\").extendFlat;e.exports={_isLinkedToArray:!0,text:{valType:\"string\"},textangle:{valType:\"angle\",dflt:0},font:a({},i,{}),opacity:{valType:\"number\",min:0,max:1,dflt:1},align:{valType:\"enumerated\",values:[\"left\",\"center\",\"right\"],dflt:\"center\"},bgcolor:{valType:\"color\",dflt:\"rgba(0,0,0,0)\"},bordercolor:{valType:\"color\",dflt:\"rgba(0,0,0,0)\"},borderpad:{valType:\"number\",min:0,dflt:1},borderwidth:{valType:\"number\",min:0,dflt:1},showarrow:{valType:\"boolean\",dflt:!0},arrowcolor:{valType:\"color\"},arrowhead:{valType:\"integer\",min:0,max:n.length,dflt:1},arrowsize:{valType:\"number\",min:.3,dflt:1},arrowwidth:{valType:\"number\",min:.1},ax:{valType:\"number\",dflt:-10},ay:{valType:\"number\",dflt:-30},axref:{valType:\"enumerated\",dflt:\"pixel\",values:[\"pixel\",o.idRegex.x.toString()]},ayref:{valType:\"enumerated\",dflt:\"pixel\",values:[\"pixel\",o.idRegex.y.toString()]},xref:{valType:\"enumerated\",values:[\"paper\",o.idRegex.x.toString()]},x:{valType:\"number\"},xanchor:{valType:\"enumerated\",values:[\"auto\",\"left\",\"center\",\"right\"],dflt:\"auto\"},yref:{valType:\"enumerated\",values:[\"paper\",o.idRegex.y.toString()]},y:{valType:\"number\"},yanchor:{valType:\"enumerated\",values:[\"auto\",\"top\",\"middle\",\"bottom\"],dflt:\"auto\"},_deprecated:{ref:{valType:\"string\"}}}},{\"../../lib/extend\":563,\"../../plots/cartesian/constants\":597,\"../../plots/font_attributes\":610,\"./arrow_paths\":479}],481:[function(t,e,r){\"use strict\";function n(t,e){function r(e,r){return u.coerce(t,n,m.layoutAttributes,e,r)}var n={};r(\"opacity\"),r(\"align\"),r(\"bgcolor\");var i=r(\"bordercolor\"),o=h.opacity(i);r(\"borderpad\");var a=r(\"borderwidth\"),s=r(\"showarrow\");s&&(r(\"arrowcolor\",o?n.bordercolor:h.defaultLine),r(\"arrowhead\"),r(\"arrowsize\"),r(\"arrowwidth\",2*(o&&a||1)),r(\"ax\"),r(\"ay\"),r(\"axref\"),r(\"ayref\"),u.noneOrAll(t,n,[\"ax\",\"ay\"])),r(\"text\",s?\"&nbsp;\":\"new text\"),r(\"textangle\"),u.coerceFont(r,\"font\",e.font);for(var l=[\"x\",\"y\"],f=0;2>f;f++){var d=l[f],p={_fullLayout:e},v=c.coerceRef(t,n,p,d),g=c.coerceARef(t,n,p,d),y=.5;if(\"paper\"!==v){var b=c.getFromId(p,v);if(y=b.range[0]+y*(b.range[1]-b.range[0]),-1!==[\"date\",\"category\"].indexOf(b.type)&&\"string\"==typeof t[d]){var x;if(\"date\"===b.type){if(x=u.dateTime2ms(t[d]),x!==!1&&(t[d]=x),g===v){var _=u.dateTime2ms(t[\"a\"+d]);_!==!1&&(t[\"a\"+d]=_)}}else(b._categories||[]).length&&(x=b._categories.indexOf(t[d]),-1!==x&&(t[d]=x))}}r(d,y),s||r(d+\"anchor\")}return u.noneOrAll(t,n,[\"x\",\"y\"]),n}function i(t){var e=t._fullLayout;e.annotations.forEach(function(e){var r=c.getFromId(t,e.xref),n=c.getFromId(t,e.yref);if(r||n){var i=(e._xsize||0)/2,o=e._xshift||0,a=(e._ysize||0)/2,s=e._yshift||0,l=i-o,u=i+o,h=a-s,f=a+s;if(e.showarrow){var d=3*e.arrowsize*e.arrowwidth;l=Math.max(l,d),u=Math.max(u,d),h=Math.max(h,d),f=Math.max(f,d)}r&&r.autorange&&c.expand(r,[r.l2c(e.x)],{ppadplus:u,ppadminus:l}),n&&n.autorange&&c.expand(n,[n.l2c(e.y)],{ppadplus:f,ppadminus:h})}})}function o(t,e,r,n,i,o,a,s){var l=r-t,u=i-t,c=a-i,h=n-e,f=o-e,d=s-o,p=l*d-c*h;if(0===p)return null;var v=(u*d-c*f)/p,m=(u*h-l*f)/p;return 0>m||m>1||0>v||v>1?null:{x:t+l*v,y:e+h*v}}var a=t(\"d3\"),s=t(\"fast-isnumeric\"),l=t(\"../../plotly\"),u=t(\"../../lib\"),c=t(\"../../plots/cartesian/axes\"),h=t(\"../color\"),f=t(\"../drawing\"),d=t(\"../../lib/svg_text_utils\"),p=t(\"../../lib/setcursor\"),v=t(\"../dragelement\"),m=e.exports={};m.ARROWPATHS=t(\"./arrow_paths\"),m.layoutAttributes=t(\"./attributes\"),m.supplyLayoutDefaults=function(t,e){for(var r=t.annotations||[],i=e.annotations=[],o=0;o<r.length;o++)i.push(n(r[o]||{},e))},m.drawAll=function(t){var e=t._fullLayout;e._infolayer.selectAll(\".annotation\").remove();for(var r=0;r<e.annotations.length;r++)m.draw(t,r);return l.Plots.previousPromises(t)},m.add=function(t){var e=t._fullLayout.annotations.length;l.relayout(t,\"annotations[\"+e+\"]\",\"add\")},m.draw=function(t,e,r,i){function g(t){return t.call(f.font,Q).attr({\"text-anchor\":{left:\"start\",right:\"end\"}[U.align]||\"middle\"}),d.convertToTspans(t,y),t}function y(){function r(t,e){return\"auto\"===e&&(e=1/3>t?\"left\":t>2/3?\"right\":\"center\"),{center:0,middle:0,left:.5,bottom:-.5,right:-.5,top:.5}[e]}tt.selectAll(\"tspan.line\").attr({y:0,x:0});var n=W.select(\".annotation-math-group\"),i=!n.empty(),s=f.bBox((i?n:tt).node()),d=s.width,g=s.height,y=Math.round(d+2*J),b=Math.round(g+2*J);U._w=d,U._h=g;var x=!1;if([\"x\",\"y\"].forEach(function(e){var n,i=U[e+\"ref\"]||e,o=c.getFromId(t,i),a=(H+(\"x\"===e?0:90))*Math.PI/180,s=y*Math.abs(Math.cos(a))+b*Math.abs(Math.sin(a)),l=U[e+\"anchor\"];if(o){if(!o.autorange&&(U[e]-o.range[0])*(U[e]-o.range[1])>0&&(U[\"a\"+e+\"ref\"]===i?(U[\"a\"+e]-o.range[0])*(U[\"a\"+e]-o.range[1])>0&&(x=!0):x=!0,x))return;G[e]=o._offset+o.l2p(U[e]),n=.5}else n=U[e],\"y\"===e&&(n=1-n),G[e]=\"x\"===e?L.l+L.w*n:L.t+L.h*n;var u=0;U[\"a\"+e+\"ref\"]===i?G[\"aa\"+e]=o._offset+o.l2p(U[\"a\"+e]):(u=U.showarrow?U[\"a\"+e]:s*r(n,l),G[e]+=u),U[\"_\"+e+\"type\"]=o&&o.type,U[\"_\"+e+\"size\"]=s,U[\"_\"+e+\"shift\"]=u}),x)return void W.remove();var w,M;U.showarrow&&(w=U.axref===U.xref?G.x:u.constrain(G.x-U.ax,1,_.width-1),M=U.ayref===U.yref?G.y:u.constrain(G.y-U.ay,1,_.height-1)),G.x=u.constrain(G.x,1,_.width-1),G.y=u.constrain(G.y,1,_.height-1);var k=J-s.top,A=J-s.left;i?n.select(\"svg\").attr({x:J-1,y:J}):(tt.attr({x:A,y:k}),tt.selectAll(\"tspan.line\").attr({y:k,x:A})),$.call(f.setRect,Z/2,Z/2,y-Z,b-Z);var T=0,E=0;T=U.axref===U.xref?Math.round(G.aax-y/2):Math.round(G.x-y/2),E=U.ayref===U.yref?Math.round(G.aay-b/2):Math.round(G.y-b/2),W.call(u.setTranslate,T,E);var S=\"annotations[\"+e+\"]\",z=function(r,n){a.select(t).selectAll('.annotation-arrow-g[data-index=\"'+e+'\"]').remove();var i,s;i=U.axref===U.xref?G.aax+r:G.x+r,s=U.ayref===U.yref?G.aay+n:G.y+n;var c=u.rotationXYMatrix(H,i,s),f=u.apply2DTransform(c),d=u.apply2DTransform2(c),p=$.attr(\"width\")/2,g=$.attr(\"height\")/2,y=[[i-p,s-g,i-p,s+g],[i-p,s+g,i+p,s+g],[i+p,s+g,i+p,s-g],[i+p,s-g,i-p,s-g]].map(d);if(!y.reduce(function(t,e){return t^!!o(w,M,w+1e6,M+1e6,e[0],e[1],e[2],e[3])},!1)){y.forEach(function(t){var e=o(i,s,w,M,t[0],t[1],t[2],t[3]);e&&(i=e.x,s=e.y)});var b=U.arrowwidth,x=U.arrowcolor,_=X.append(\"g\").style({opacity:h.opacity(x)}).classed(\"annotation-arrow-g\",!0).attr(\"data-index\",String(e)),k=_.append(\"path\").attr(\"d\",\"M\"+i+\",\"+s+\"L\"+w+\",\"+M).style(\"stroke-width\",b+\"px\").call(h.stroke,h.rgb(x));m.arrowhead(k,U.arrowhead,\"end\",U.arrowsize);var A=_.append(\"path\").classed(\"annotation\",!0).classed(\"anndrag\",!0).attr({\"data-index\":String(e),d:\"M3,3H-3V-3H3ZM0,0L\"+(i-w)+\",\"+(s-M),transform:\"translate(\"+w+\",\"+M+\")\"}).style(\"stroke-width\",b+6+\"px\").call(h.stroke,\"rgba(0,0,0,0)\").call(h.fill,\"rgba(0,0,0,0)\");if(t._context.editable){var T,E,z;v.init({element:A.node(),prepFn:function(){var t=u.getTranslate(W);E=t.x,z=t.y,T={},V&&V.autorange&&(T[V._name+\".autorange\"]=!0),q&&q.autorange&&(T[q._name+\".autorange\"]=!0)},moveFn:function(t,e){_.attr(\"transform\",\"translate(\"+t+\",\"+e+\")\");var r=f(E,z),n=r[0]+t,i=r[1]+e;W.call(u.setTranslate,n,i),T[S+\".x\"]=V?U.x+t/V._m:(w+t-L.l)/L.w,T[S+\".y\"]=q?U.y+e/q._m:1-(M+e-L.t)/L.h,U.axref===U.xref&&(T[S+\".ax\"]=V?U.ax+t/V._m:(w+t-L.l)/L.w),U.ayref===U.yref&&(T[S+\".ay\"]=q?U.ay+e/q._m:1-(M+e-L.t)/L.h),Y.attr({transform:\"rotate(\"+H+\",\"+n+\",\"+i+\")\"})},doneFn:function(e){if(e){l.relayout(t,T);var r=document.querySelector(\".js-notes-box-panel\");r&&r.redraw(r.selectedObj)}}})}}};U.showarrow&&z(0,0);var I=u.rotationXYMatrix(H,G.x,G.y),P=u.apply2DTransform(I);if(t._context.editable){var C,R,D;v.init({element:W.node(),prepFn:function(){var t=u.getTranslate(W);C=t.x,R=t.y,D={}},moveFn:function(t,e){W.call(u.setTranslate,C+t,R+e);var r=\"pointer\";if(U.showarrow)U.axref===U.xref?D[S+\".ax\"]=V.p2l(V.l2p(U.ax)+t):D[S+\".ax\"]=U.ax+t,U.ayref===U.yref?D[S+\".ay\"]=q.p2l(q.l2p(U.ay)+e):D[S+\".ay\"]=U.ay+e,z(t,e);else{if(V)D[S+\".x\"]=U.x+t/V._m;else{var n=U._xsize/L.w,i=U.x+U._xshift/L.w-n/2;D[S+\".x\"]=v.align(i+t/L.w,n,0,1,U.xanchor)}if(q)D[S+\".y\"]=U.y+e/q._m;else{var o=U._ysize/L.h,a=U.y-U._yshift/L.h-o/2;D[S+\".y\"]=v.align(a-e/L.h,o,0,1,U.yanchor)}V&&q||(r=v.getCursor(V?.5:D[S+\".x\"],q?.5:D[S+\".y\"],U.xanchor,U.yanchor))}var s=P(C,R),l=s[0]+t,c=s[1]+e;W.call(u.setTranslate,C+t,R+e),Y.attr({transform:\"rotate(\"+H+\",\"+l+\",\"+c+\")\"}),p(W,r)},doneFn:function(e){if(p(W),e){l.relayout(t,D);var r=document.querySelector(\".js-notes-box-panel\");r&&r.redraw(r.selectedObj)}}})}}var b,x=t.layout,_=t._fullLayout;if(!s(e)||-1===e){if(!e&&Array.isArray(i))return x.annotations=i,m.supplyLayoutDefaults(x,_),void m.drawAll(t);if(\"remove\"===i)return delete x.annotations,_.annotations=[],void m.drawAll(t);if(r&&\"add\"!==i){for(b=0;b<_.annotations.length;b++)m.draw(t,b,r,i);return}e=_.annotations.length,_.annotations.push({})}if(!r&&i){if(\"remove\"===i){for(_._infolayer.selectAll('.annotation[data-index=\"'+e+'\"]').remove(),_.annotations.splice(e,1),x.annotations.splice(e,1),b=e;b<_.annotations.length;b++)_._infolayer.selectAll('.annotation[data-index=\"'+(b+1)+'\"]').attr(\"data-index\",String(b)),m.draw(t,b);return}if(\"add\"===i||u.isPlainObject(i)){_.annotations.splice(e,0,{});var w=u.isPlainObject(i)?u.extendFlat({},i):{text:\"New text\"};for(x.annotations?x.annotations.splice(e,0,w):x.annotations=[w],b=_.annotations.length-1;b>e;b--)_._infolayer.selectAll('.annotation[data-index=\"'+(b-1)+'\"]').attr(\"data-index\",String(b)),m.draw(t,b)}}_._infolayer.selectAll('.annotation[data-index=\"'+e+'\"]').remove();var M=x.annotations[e],k=_.annotations[e];if(M){var A={xref:M.xref,yref:M.yref},T={};\"string\"==typeof r&&r?T[r]=i:u.isPlainObject(r)&&(T=r);var E=Object.keys(T);for(b=0;b<E.length;b++){var S=E[b];u.nestedProperty(M,S).set(T[S])}var L=_._size,z=[\"x\",\"y\"];for(b=0;2>b;b++){var I=z[b];if(void 0===T[I]&&void 0!==M[I]){var P=c.getFromId(t,c.coerceRef(A,{},t,I)),C=c.getFromId(t,c.coerceRef(M,{},t,I)),R=M[I],D=k[\"_\"+I+\"type\"];if(void 0!==T[I+\"ref\"]){var O=\"auto\"===M[I+\"anchor\"],F=\"x\"===I?L.w:L.h,j=(k[\"_\"+I+\"size\"]||0)/(2*F);if(P&&C)R=(R-P.range[0])/(P.range[1]-P.range[0]),R=C.range[0]+R*(C.range[1]-C.range[0]);else if(P){if(R=(R-P.range[0])/(P.range[1]-P.range[0]),R=P.domain[0]+R*(P.domain[1]-P.domain[0]),O){var N=R+j,B=R-j;2/3>R+B?R=B:R+N>4/3&&(R=N)}}else C&&(O&&(1/3>R?R+=j:R>2/3&&(R-=j)),R=(R-C.domain[0])/(C.domain[1]-C.domain[0]),R=C.range[0]+R*(C.range[1]-C.range[0]))}C&&C===P&&D&&(\"log\"===D&&\"log\"!==C.type?R=Math.pow(10,R):\"log\"!==D&&\"log\"===C.type&&(R=R>0?Math.log(R)/Math.LN10:void 0)),M[I]=R}}var U=n(M,_);_.annotations[e]=U;var V=c.getFromId(t,U.xref),q=c.getFromId(t,U.yref),G={x:0,y:0},H=+U.textangle||0,X=_._infolayer.append(\"g\").classed(\"annotation\",!0).attr(\"data-index\",String(e)).style(\"opacity\",U.opacity).on(\"click\",function(){t._dragging=!1,t.emit(\"plotly_clickannotation\",{index:e,annotation:M,fullAnnotation:U})}),Y=X.append(\"g\").classed(\"annotation-text-g\",!0).attr(\"data-index\",String(e)),W=Y.append(\"g\"),Z=U.borderwidth,K=U.borderpad,J=Z+K,$=W.append(\"rect\").attr(\"class\",\"bg\").style(\"stroke-width\",Z+\"px\").call(h.stroke,U.bordercolor).call(h.fill,U.bgcolor),Q=U.font,tt=W.append(\"text\").classed(\"annotation\",!0).attr(\"data-unformatted\",U.text).text(U.text);t._context.editable?tt.call(d.makeEditable,W).call(g).on(\"edit\",function(r){U.text=r,this.attr({\"data-unformatted\":U.text}),this.call(g);var n={};n[\"annotations[\"+e+\"].text\"]=U.text,V&&V.autorange&&(n[V._name+\".autorange\"]=!0),q&&q.autorange&&(n[q._name+\".autorange\"]=!0),l.relayout(t,n)}):tt.call(g),Y.attr({transform:\"rotate(\"+H+\",\"+G.x+\",\"+G.y+\")\"}).call(f.setPosition,G.x,G.y)}},m.arrowhead=function(t,e,r,n){s(n)||(n=1);var i=t.node(),o=m.ARROWPATHS[e||0];if(o){\"string\"==typeof r&&r||(r=\"end\");var l,u,c,d,p=(f.getPx(t,\"stroke-width\")||1)*n,v=t.style(\"stroke\")||h.defaultLine,g=t.style(\"stroke-opacity\")||1,y=r.indexOf(\"start\")>=0,b=r.indexOf(\"end\")>=0,x=o.backoff*p;if(\"line\"===i.nodeName){if(l={x:+t.attr(\"x1\"),y:+t.attr(\"y1\")},u={x:+t.attr(\"x2\"),y:+t.attr(\"y2\")},c=Math.atan2(l.y-u.y,l.x-u.x),d=c+Math.PI,x){var _=x*Math.cos(c),w=x*Math.sin(c);y&&(l.x-=_,l.y-=w,t.attr({x1:l.x,y1:l.y})),b&&(u.x+=_,u.y+=w,t.attr({x2:u.x,y2:u.y}))}}else if(\"path\"===i.nodeName){var M=i.getTotalLength(),k=\"\";if(y){var A=i.getPointAtLength(0),T=i.getPointAtLength(.1);c=Math.atan2(A.y-T.y,A.x-T.x),l=i.getPointAtLength(Math.min(x,M)),x&&(k=\"0px,\"+x+\"px,\")}if(b){var E=i.getPointAtLength(M),S=i.getPointAtLength(M-.1);if(d=Math.atan2(E.y-S.y,E.x-S.x),u=i.getPointAtLength(Math.max(0,M-x)),x){var L=k?2*x:x;k+=M-L+\"px,\"+M+\"px\"}}else k&&(k+=M+\"px\");k&&t.style(\"stroke-dasharray\",k)}var z=function(r,n){e>5&&(n=0),a.select(i.parentElement).append(\"path\").attr({\"class\":t.attr(\"class\"),d:o.path,transform:\"translate(\"+r.x+\",\"+r.y+\")rotate(\"+180*n/Math.PI+\")scale(\"+p+\")\"}).style({fill:v,opacity:g,\"stroke-width\":0})};y&&z(l,c),b&&z(u,d)}},m.calcAutorange=function(t){var e=t._fullLayout,r=e.annotations;if(r.length&&t._fullData.length){var n={};r.forEach(function(t){n[t.xref]=!0,n[t.yref]=!0});var o=c.list(t).filter(function(t){return t.autorange&&n[t._id]});if(o.length)return u.syncOrAsync([m.drawAll,i],t)}}},{\"../../lib\":568,\"../../lib/setcursor\":577,\"../../lib/svg_text_utils\":581,\"../../plotly\":589,\"../../plots/cartesian/axes\":592,\"../color\":483,\"../dragelement\":504,\"../drawing\":506,\"./arrow_paths\":479,\"./attributes\":480,d3:119,\"fast-isnumeric\":123}],482:[function(t,e,r){\"use strict\";r.defaults=[\"#1f77b4\",\"#ff7f0e\",\"#2ca02c\",\"#d62728\",\"#9467bd\",\"#8c564b\",\"#e377c2\",\"#7f7f7f\",\"#bcbd22\",\"#17becf\"],r.defaultLine=\"#444\",r.lightLine=\"#eee\",r.background=\"#fff\",r.borderLine=\"#BEC8D9\",r.lightFraction=1e3/11},{}],483:[function(t,e,r){\"use strict\";function n(t){if(o(t)||\"string\"!=typeof t)return t;var e=t.trim();if(\"rgb\"!==e.substr(0,3))return t;var r=e.match(/^rgba?\\s*\\(([^()]*)\\)$/);if(!r)return t;var n=r[1].trim().split(/\\s*[\\s,]\\s*/),i=\"a\"===e.charAt(3)&&4===n.length;if(!i&&3!==n.length)return t;for(var a=0;a<n.length;a++){if(!n[a].length)return t;if(n[a]=Number(n[a]),!(n[a]>=0))return t;if(3===a)n[a]>1&&(n[a]=1);else if(n[a]>=1)return t}var s=Math.round(255*n[0])+\", \"+Math.round(255*n[1])+\", \"+Math.round(255*n[2]);return i?\"rgba(\"+s+\", \"+n[3]+\")\":\"rgb(\"+s+\")\"}var i=t(\"tinycolor2\"),o=t(\"fast-isnumeric\"),a=e.exports={},s=t(\"./attributes\");a.defaults=s.defaults,a.defaultLine=s.defaultLine,a.lightLine=s.lightLine,a.background=s.background,a.tinyRGB=function(t){var e=t.toRgb();return\"rgb(\"+Math.round(e.r)+\", \"+Math.round(e.g)+\", \"+Math.round(e.b)+\")\"},a.rgb=function(t){return a.tinyRGB(i(t))},a.opacity=function(t){return t?i(t).getAlpha():0},a.addOpacity=function(t,e){var r=i(t).toRgb();return\"rgba(\"+Math.round(r.r)+\", \"+Math.round(r.g)+\", \"+Math.round(r.b)+\", \"+e+\")\"},a.combine=function(t,e){var r=i(t).toRgb();if(1===r.a)return i(t).toRgbString();var n=i(e||a.background).toRgb(),o=1===n.a?n:{r:255*(1-n.a)+n.r*n.a,g:255*(1-n.a)+n.g*n.a,b:255*(1-n.a)+n.b*n.a},s={r:o.r*(1-r.a)+r.r*r.a,g:o.g*(1-r.a)+r.g*r.a,b:o.b*(1-r.a)+r.b*r.a};return i(s).toRgbString()},a.contrast=function(t,e,r){var n=i(t),o=n.isLight()?n.darken(r):n.lighten(e);return o.toString()},a.stroke=function(t,e){var r=i(e);t.style({stroke:a.tinyRGB(r),\"stroke-opacity\":r.getAlpha()})},a.fill=function(t,e){var r=i(e);t.style({fill:a.tinyRGB(r),\"fill-opacity\":r.getAlpha()})},a.clean=function(t){if(t&&\"object\"==typeof t){var e,r,i,o,s=Object.keys(t);for(e=0;e<s.length;e++)if(i=s[e],o=t[i],\"color\"===i.substr(i.length-5))if(Array.isArray(o))for(r=0;r<o.length;r++)o[r]=n(o[r]);else t[i]=n(o);else if(\"colorscale\"===i.substr(i.length-10)&&Array.isArray(o))for(r=0;r<o.length;r++)Array.isArray(o[r])&&(o[r][1]=n(o[r][1]));else if(Array.isArray(o)){var l=o[0];if(!Array.isArray(l)&&l&&\"object\"==typeof l)for(r=0;r<o.length;r++)a.clean(o[r])}else o&&\"object\"==typeof o&&a.clean(o)}}},{\"./attributes\":482,\"fast-isnumeric\":123,tinycolor2:454}],484:[function(t,e,r){\"use strict\";var n=t(\"../../plots/cartesian/layout_attributes\"),i=t(\"../../plots/font_attributes\"),o=t(\"../../lib/extend\").extendFlat;e.exports={thicknessmode:{valType:\"enumerated\",values:[\"fraction\",\"pixels\"],dflt:\"pixels\"},thickness:{valType:\"number\",min:0,dflt:30},lenmode:{valType:\"enumerated\",values:[\"fraction\",\"pixels\"],dflt:\"fraction\"},len:{valType:\"number\",min:0,dflt:1},x:{valType:\"number\",dflt:1.02,min:-2,max:3},xanchor:{valType:\"enumerated\",values:[\"left\",\"center\",\"right\"],dflt:\"left\"},xpad:{valType:\"number\",min:0,dflt:10},y:{valType:\"number\",dflt:.5,min:-2,max:3},yanchor:{valType:\"enumerated\",values:[\"top\",\"middle\",\"bottom\"],dflt:\"middle\"},ypad:{valType:\"number\",min:0,dflt:10},outlinecolor:n.linecolor,outlinewidth:n.linewidth,bordercolor:n.linecolor,borderwidth:{valType:\"number\",min:0,dflt:0},bgcolor:{valType:\"color\",dflt:\"rgba(0,0,0,0)\"},tickmode:n.tickmode,nticks:n.nticks,tick0:n.tick0,dtick:n.dtick,tickvals:n.tickvals,ticktext:n.ticktext,ticks:o({},n.ticks,{dflt:\"\"}),ticklen:n.ticklen,tickwidth:n.tickwidth,tickcolor:n.tickcolor,showticklabels:n.showticklabels,tickfont:n.tickfont,tickangle:n.tickangle,tickformat:n.tickformat,tickprefix:n.tickprefix,showtickprefix:n.showtickprefix,ticksuffix:n.ticksuffix,showticksuffix:n.showticksuffix,exponentformat:n.exponentformat,showexponent:n.showexponent,title:{valType:\"string\",dflt:\"Click to enter colorscale title\"},titlefont:o({},i,{}),titleside:{valType:\"enumerated\",values:[\"right\",\"top\",\"bottom\"],dflt:\"top\"}}},{\"../../lib/extend\":563,\"../../plots/cartesian/layout_attributes\":601,\"../../plots/font_attributes\":610}],485:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"../../plots/cartesian/tick_value_defaults\"),o=t(\"../../plots/cartesian/tick_mark_defaults\"),a=t(\"../../plots/cartesian/tick_label_defaults\"),s=t(\"./attributes\");e.exports=function(t,e,r){function l(t,e){return n.coerce(c,u,s,t,e)}var u=e.colorbar={},c=t.colorbar||{},h=l(\"thicknessmode\");l(\"thickness\",\"fraction\"===h?30/(r.width-r.margin.l-r.margin.r):30);var f=l(\"lenmode\");l(\"len\",\"fraction\"===f?1:r.height-r.margin.t-r.margin.b),l(\"x\"),l(\"xanchor\"),l(\"xpad\"),l(\"y\"),l(\"yanchor\"),l(\"ypad\"),n.noneOrAll(c,u,[\"x\",\"y\"]),l(\"outlinecolor\"),l(\"outlinewidth\"),l(\"bordercolor\"),l(\"borderwidth\"),l(\"bgcolor\"),i(c,u,l,\"linear\"),a(c,u,l,\"linear\",{outerTicks:!1,font:r.font,noHover:!0}),o(c,u,l,\"linear\",{outerTicks:!1,font:r.font,noHover:!0}),l(\"title\"),n.coerceFont(l,\"titlefont\",r.font),l(\"titleside\")}},{\"../../lib\":568,\"../../plots/cartesian/tick_label_defaults\":607,\"../../plots/cartesian/tick_mark_defaults\":608,\"../../plots/cartesian/tick_value_defaults\":609,\"./attributes\":484}],486:[function(t,e,r){\"use strict\";var n=t(\"d3\"),i=t(\"tinycolor2\"),o=t(\"../../plotly\"),a=t(\"../../plots/plots\"),s=t(\"../../plots/cartesian/axes\"),l=t(\"../dragelement\"),u=t(\"../../lib\"),c=t(\"../../lib/extend\").extendFlat,h=t(\"../../lib/setcursor\"),f=t(\"../drawing\"),d=t(\"../color\"),p=t(\"../titles\"),v=t(\"../../plots/cartesian/axis_defaults\"),m=t(\"../../plots/cartesian/position_defaults\"),g=t(\"../../plots/cartesian/layout_attributes\"),y=t(\"./attributes\");e.exports=function(t,e){function r(){function y(t,e){return u.coerce(J,$,g,t,e)}function _(){if(-1!==[\"top\",\"bottom\"].indexOf(x.titleside)){var e=it.select(\".cbtitle\"),r=e.select(\"text\"),o=[-x.outlinewidth/2,x.outlinewidth/2],a=e.select(\".h\"+$._id+\"title-math-group\").node(),l=15.6;if(r.node()&&(l=1.3*parseInt(r.style(\"font-size\"),10)),a?(at=f.bBox(a).height,at>l&&(o[1]-=(at-l)/2)):r.node()&&!r.classed(\"js-placeholder\")&&(at=f.bBox(e.node()).height),at){if(at+=5,\"top\"===x.titleside)$.domain[1]-=at/A.h,o[1]*=-1;else{$.domain[0]+=at/A.h;var c=Math.max(1,r.selectAll(\"tspan.line\").size());o[1]+=(1-c)*l}e.attr(\"transform\",\"translate(\"+o+\")\"),$.setScale()}}it.selectAll(\".cbfills,.cblines,.cbaxis\").attr(\"transform\",\"translate(0,\"+Math.round(A.h*(1-$.domain[1]))+\")\");var h=it.select(\".cbfills\").selectAll(\"rect.cbfill\").data(L);h.enter().append(\"rect\").classed(\"cbfill\",!0).style(\"stroke\",\"none\"),h.exit().remove(),h.each(function(t,e){var r=[0===e?E[0]:(L[e]+L[e-1])/2,e===L.length-1?E[1]:(L[e]+L[e+1])/2].map($.c2p).map(Math.round);e!==L.length-1&&(r[1]+=r[1]>r[0]?1:-1);var o=I(t).replace(\"e-\",\"\"),a=i(o).toHexString();n.select(this).attr({x:X,width:Math.max(N,2),y:n.min(r),height:Math.max(n.max(r)-n.min(r),2),fill:a})});var d=it.select(\".cblines\").selectAll(\"path.cbline\").data(x.line.color&&x.line.width?S:[]);return d.enter().append(\"path\").classed(\"cbline\",!0),d.exit().remove(),d.each(function(t){n.select(this).attr(\"d\",\"M\"+X+\",\"+(Math.round($.c2p(t))+x.line.width/2%1)+\"h\"+N).call(f.lineGroupStyle,x.line.width,z(t),x.line.dash)}),$._axislayer.selectAll(\"g.\"+$._id+\"tick,path\").remove(),$._pos=X+N+(x.outlinewidth||0)/2-(\"outside\"===x.ticks?1:0),$.side=\"right\",u.syncOrAsync([function(){return s.doTicks(t,$,!0)},function(){if(-1===[\"top\",\"bottom\"].indexOf(x.titleside)){var e=$.titlefont.size,r=$._offset+$._length/2,i=A.l+($.position||0)*A.w+(\"right\"===$.side?10+e*($.showticklabels?1:.5):-10-e*($.showticklabels?.5:0));w(\"h\"+$._id+\"title\",{avoid:{selection:n.select(t).selectAll(\"g.\"+$._id+\"tick\"),side:x.titleside,offsetLeft:A.l,offsetTop:A.t,maxShift:k.width},attributes:{x:i,y:r,\"text-anchor\":\"middle\"},transform:{rotate:\"-90\",offset:0}})}}])}function w(e,r){var n,i=b();n=a.traceIs(i,\"markerColorscale\")?\"marker.colorbar.title\":\"colorbar.title\";var o={propContainer:$,propName:n,traceIndex:i.index,dfltName:\"colorscale\",containerGroup:it.select(\".cbtitle\")},s=\"h\"===e.charAt(0)?e.substr(1):\"h\"+e;it.selectAll(\".\"+s+\",.\"+s+\"-math-group\").remove(),p.draw(t,e,c(o,r||{}))}function M(){var r=N+x.outlinewidth/2+f.bBox($._axislayer.node()).width;if(O=ot.select(\"text\"),O.node()&&!O.classed(\"js-placeholder\")){var n,i=ot.select(\".h\"+$._id+\"title-math-group\").node();n=i&&-1!==[\"top\",\"bottom\"].indexOf(x.titleside)?f.bBox(i).width:f.bBox(ot.node()).right-X-A.l,r=Math.max(r,n)}var o=2*x.xpad+r+x.borderwidth+x.outlinewidth/2,s=Z-K;it.select(\".cbbg\").attr({x:X-x.xpad-(x.borderwidth+x.outlinewidth)/2,y:K-G,width:Math.max(o,2),height:Math.max(s+2*G,2)}).call(d.fill,x.bgcolor).call(d.stroke,x.bordercolor).style({\"stroke-width\":x.borderwidth}),it.selectAll(\".cboutline\").attr({x:X,y:K+x.ypad+(\"top\"===x.titleside?at:0),width:Math.max(N,2),height:Math.max(s-2*x.ypad-at,2)}).call(d.stroke,x.outlinecolor).style({fill:\"None\",\"stroke-width\":x.outlinewidth});var l=({center:.5,right:1}[x.xanchor]||0)*o;it.attr(\"transform\",\"translate(\"+(A.l-l)+\",\"+A.t+\")\"),a.autoMargin(t,e,{x:x.x,y:x.y,l:o*({right:1,center:.5}[x.xanchor]||0),r:o*({left:1,center:.5}[x.xanchor]||0),t:s*({bottom:1,middle:.5}[x.yanchor]||0),b:s*({top:1,middle:.5}[x.yanchor]||0)})}var k=t._fullLayout,A=k._size;if(\"function\"!=typeof x.fillcolor&&\"function\"!=typeof x.line.color)return void k._infolayer.selectAll(\"g.\"+e).remove();var T,E=n.extent((\"function\"==typeof x.fillcolor?x.fillcolor:x.line.color).domain()),S=[],L=[],z=\"function\"==typeof x.line.color?x.line.color:function(){return x.line.color},I=\"function\"==typeof x.fillcolor?x.fillcolor:function(){return x.fillcolor},P=x.levels.end+x.levels.size/100,C=x.levels.size,R=1.001*E[0]-.001*E[1],D=1.001*E[1]-.001*E[0];for(T=x.levels.start;0>(T-P)*C;T+=C)T>R&&D>T&&S.push(T);if(\"function\"==typeof x.fillcolor)if(x.filllevels)for(P=x.filllevels.end+x.filllevels.size/100,C=x.filllevels.size,T=x.filllevels.start;0>(T-P)*C;T+=C)T>E[0]&&T<E[1]&&L.push(T);else L=S.map(function(t){return t-x.levels.size/2}),L.push(L[L.length-1]+x.levels.size);else x.fillcolor&&\"string\"==typeof x.fillcolor&&(L=[0]);x.levels.size<0&&(S.reverse(),L.reverse());var O,F=k.height-k.margin.t-k.margin.b,j=k.width-k.margin.l-k.margin.r,N=Math.round(x.thickness*(\"fraction\"===x.thicknessmode?j:1)),B=N/A.w,U=Math.round(x.len*(\"fraction\"===x.lenmode?F:1)),V=U/A.h,q=x.xpad/A.w,G=(x.borderwidth+x.outlinewidth)/2,H=x.ypad/A.h,X=Math.round(x.x*A.w+x.xpad),Y=x.x-B*({middle:.5,right:1}[x.xanchor]||0),W=x.y+V*(({top:-.5,bottom:.5}[x.yanchor]||0)-.5),Z=Math.round(A.h*(1-W)),K=Z-U,J={type:\"linear\",range:E,tickmode:x.tickmode,nticks:x.nticks,tick0:x.tick0,dtick:x.dtick,tickvals:x.tickvals,ticktext:x.ticktext,ticks:x.ticks,ticklen:x.ticklen,tickwidth:x.tickwidth,tickcolor:x.tickcolor,showticklabels:x.showticklabels,tickfont:x.tickfont,tickangle:x.tickangle,tickformat:x.tickformat,exponentformat:x.exponentformat,showexponent:x.showexponent,showtickprefix:x.showtickprefix,tickprefix:x.tickprefix,showticksuffix:x.showticksuffix,ticksuffix:x.ticksuffix,title:x.title,titlefont:x.titlefont,anchor:\"free\",position:1},$={},Q={letter:\"y\",font:k.font,noHover:!0};if(v(J,$,y,Q),m(J,$,y,Q),$._id=\"y\"+e,$._gd=t,$.position=x.x+q+B,r.axis=$,-1!==[\"top\",\"bottom\"].indexOf(x.titleside)&&($.titleside=x.titleside,$.titlex=x.x+q,$.titley=W+(\"top\"===x.titleside?V-H:H)),x.line.color&&\"auto\"===x.tickmode){$.tickmode=\"linear\",$.tick0=x.levels.start;var tt=x.levels.size,et=u.constrain((Z-K)/50,4,15)+1,rt=(E[1]-E[0])/((x.nticks||et)*tt);if(rt>1){var nt=Math.pow(10,Math.floor(Math.log(rt)/Math.LN10));tt*=nt*u.roundUp(rt/nt,[2,5,10]),(Math.abs(x.levels.start)/x.levels.size+1e-6)%1<2e-6&&($.tick0=0)}$.dtick=tt}$.domain=[W+H,W+V-H],$.setScale();var it=k._infolayer.selectAll(\"g.\"+e).data([0]);it.enter().append(\"g\").classed(e,!0).each(function(){var t=n.select(this);t.append(\"rect\").classed(\"cbbg\",!0),t.append(\"g\").classed(\"cbfills\",!0),t.append(\"g\").classed(\"cblines\",!0),t.append(\"g\").classed(\"cbaxis\",!0).classed(\"crisp\",!0),t.append(\"g\").classed(\"cbtitleunshift\",!0).append(\"g\").classed(\"cbtitle\",!0),t.append(\"rect\").classed(\"cboutline\",!0),t.select(\".cbtitle\").datum(0)}),it.attr(\"transform\",\"translate(\"+Math.round(A.l)+\",\"+Math.round(A.t)+\")\");var ot=it.select(\".cbtitleunshift\").attr(\"transform\",\"translate(-\"+Math.round(A.l)+\",-\"+Math.round(A.t)+\")\");$._axislayer=it.select(\".cbaxis\");var at=0;if(-1!==[\"top\",\"bottom\"].indexOf(x.titleside)){var st,lt=A.l+(x.x+q)*A.w,ut=$.titlefont.size;st=\"top\"===x.titleside?(1-(W+V-H))*A.h+A.t+3+.75*ut:(1-(W+H))*A.h+A.t-3-.25*ut,w($._id+\"title\",{attributes:{x:lt,y:st,\"text-anchor\":\"start\"}})}var ct=u.syncOrAsync([a.previousPromises,_,a.previousPromises,M],t);if(ct&&ct.then&&(t._promises||[]).push(ct),t._context.editable){var ht,ft,dt;l.init({element:it.node(),prepFn:function(){ht=it.attr(\"transform\"),h(it)},moveFn:function(t,e){it.attr(\"transform\",ht+\" translate(\"+t+\",\"+e+\")\"),ft=l.align(Y+t/A.w,B,0,1,x.xanchor),dt=l.align(W-e/A.h,V,0,1,x.yanchor);var r=l.getCursor(ft,dt,x.xanchor,x.yanchor);h(it,r)},doneFn:function(e){h(it),e&&void 0!==ft&&void 0!==dt&&o.restyle(t,{\"colorbar.x\":ft,\"colorbar.y\":dt},b().index)}})}return ct}function b(){var r,n,i=e.substr(2);for(r=0;r<t._fullData.length;r++)if(n=t._fullData[r],n.uid===i)return n}var x={};return Object.keys(y).forEach(function(t){x[t]=null}),x.fillcolor=null,x.line={color:null,width:null,dash:null},x.levels={start:null,end:null,size:null},x.filllevels=null,Object.keys(x).forEach(function(t){r[t]=function(e){return arguments.length?(x[t]=u.isPlainObject(x[t])?u.extendFlat(x[t],e):e,r):x[t]}}),r.options=function(t){return Object.keys(t).forEach(function(e){\"function\"==typeof r[e]&&r[e](t[e])}),r},r._opts=x,r}},{\"../../lib\":568,\"../../lib/extend\":563,\"../../lib/setcursor\":577,\"../../plotly\":589,\"../../plots/cartesian/axes\":592,\"../../plots/cartesian/axis_defaults\":593,\"../../plots/cartesian/layout_attributes\":601,\"../../plots/cartesian/position_defaults\":604,\"../../plots/plots\":648,\"../color\":483,\"../dragelement\":504,\"../drawing\":506,\"../titles\":546,\"./attributes\":484,d3:119,tinycolor2:454}],487:[function(t,e,r){\"use strict\";var n=t(\"../../lib\");e.exports=function(t){return n.isPlainObject(t.colorbar)}},{\"../../lib\":568}],488:[function(t,e,r){\"use strict\";r.attributes=t(\"./attributes\"),r.supplyDefaults=t(\"./defaults\"),r.draw=t(\"./draw\"),r.hasColorbar=t(\"./has_colorbar\")},{\"./attributes\":484,\"./defaults\":485,\"./draw\":486,\"./has_colorbar\":487}],489:[function(t,e,r){\"use strict\";e.exports={zauto:{valType:\"boolean\",dflt:!0},zmin:{valType:\"number\",dflt:null},zmax:{valType:\"number\",dflt:null},colorscale:{valType:\"colorscale\"},autocolorscale:{valType:\"boolean\",dflt:!0},reversescale:{valType:\"boolean\",dflt:!1},showscale:{valType:\"boolean\",dflt:!0}}},{}],490:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"./scales\"),o=t(\"./flip_scale\");e.exports=function(t,e,r,a){var s,l;r?(s=n.nestedProperty(t,r).get(),l=n.nestedProperty(t._input,r).get()):(s=t,l=t._input);var u=s[a+\"auto\"],c=s[a+\"min\"],h=s[a+\"max\"],f=s.colorscale;u===!1&&void 0!==c||(c=n.aggNums(Math.min,null,e)),u===!1&&void 0!==h||(h=n.aggNums(Math.max,null,e)),c===h&&(c-=.5,h+=.5),s[a+\"min\"]=c,s[a+\"max\"]=h,l[a+\"min\"]=c,l[a+\"max\"]=h,s.autocolorscale&&(f=0>c*h?i.RdBu:c>=0?i.Reds:i.Blues,l.colorscale=f,s.reversescale&&(f=o(f)),s.colorscale=f)}},{\"../../lib\":568,\"./flip_scale\":494,\"./scales\":501}],491:[function(t,e,r){\"use strict\";var n=t(\"./attributes\"),i=t(\"../../lib/extend\").extendDeep;t(\"./scales.js\");e.exports=function(t){return{color:{valType:\"color\",arrayOk:!0},colorscale:i({},n.colorscale,{}),cauto:i({},n.zauto,{}),cmax:i({},n.zmax,{}),cmin:i({},n.zmin,{}),autocolorscale:i({},n.autocolorscale,{}),reversescale:i({},n.reversescale,{})}}},{\"../../lib/extend\":563,\"./attributes\":489,\"./scales.js\":501}],492:[function(t,e,r){\"use strict\";var n=t(\"./scales\");\ne.exports=n.RdBu},{\"./scales\":501}],493:[function(t,e,r){\"use strict\";var n=t(\"fast-isnumeric\"),i=t(\"../../lib\"),o=t(\"../colorbar/has_colorbar\"),a=t(\"../colorbar/defaults\"),s=t(\"./is_valid_scale\"),l=t(\"./flip_scale\");e.exports=function(t,e,r,u,c){var h=c.prefix,f=c.cLetter,d=h.slice(0,h.length-1),p=h?i.nestedProperty(t,d).get()||{}:t,v=h?i.nestedProperty(e,d).get()||{}:e,m=p[f+\"min\"],g=p[f+\"max\"],y=p.colorscale,b=n(m)&&n(g)&&g>m;u(h+f+\"auto\",!b),u(h+f+\"min\"),u(h+f+\"max\");var x;void 0!==y&&(x=!s(y)),u(h+\"autocolorscale\",x);var _=u(h+\"colorscale\"),w=u(h+\"reversescale\");if(w&&(v.colorscale=l(_)),\"marker.line.\"!==h){var M;h&&(M=o(p));var k=u(h+\"showscale\",M);k&&a(p,v,r)}}},{\"../../lib\":568,\"../colorbar/defaults\":485,\"../colorbar/has_colorbar\":487,\"./flip_scale\":494,\"./is_valid_scale\":498,\"fast-isnumeric\":123}],494:[function(t,e,r){\"use strict\";e.exports=function(t){for(var e,r=t.length,n=new Array(r),i=r-1,o=0;i>=0;i--,o++)e=t[i],n[o]=[1-e[0],e[1]];return n}},{}],495:[function(t,e,r){\"use strict\";var n=t(\"./scales\"),i=t(\"./default_scale\"),o=t(\"./is_valid_scale_array\");e.exports=function(t,e){function r(){try{t=n[t]||JSON.parse(t)}catch(r){t=e}}return e||(e=i),t?(\"string\"==typeof t&&(r(),\"string\"==typeof t&&r()),o(t)?t:e):e}},{\"./default_scale\":492,\"./is_valid_scale_array\":499,\"./scales\":501}],496:[function(t,e,r){\"use strict\";var n=t(\"fast-isnumeric\"),i=t(\"../../lib\"),o=t(\"./is_valid_scale\");e.exports=function(t,e){var r=e?i.nestedProperty(t,e).get()||{}:t,a=r.color,s=!1;if(Array.isArray(a))for(var l=0;l<a.length;l++)if(n(a[l])){s=!0;break}return i.isPlainObject(r)&&(s||r.showscale===!0||n(r.cmin)&&n(r.cmax)||o(r.colorscale)||i.isPlainObject(r.colorbar))}},{\"../../lib\":568,\"./is_valid_scale\":498,\"fast-isnumeric\":123}],497:[function(t,e,r){\"use strict\";r.scales=t(\"./scales\"),r.defaultScale=t(\"./default_scale\"),r.attributes=t(\"./attributes\"),r.handleDefaults=t(\"./defaults\"),r.calc=t(\"./calc\"),r.hasColorscale=t(\"./has_colorscale\"),r.isValidScale=t(\"./is_valid_scale\"),r.getScale=t(\"./get_scale\"),r.flipScale=t(\"./flip_scale\"),r.makeScaleFunction=t(\"./make_scale_function\")},{\"./attributes\":489,\"./calc\":490,\"./default_scale\":492,\"./defaults\":493,\"./flip_scale\":494,\"./get_scale\":495,\"./has_colorscale\":496,\"./is_valid_scale\":498,\"./make_scale_function\":500,\"./scales\":501}],498:[function(t,e,r){\"use strict\";var n=t(\"./scales\"),i=t(\"./is_valid_scale_array\");e.exports=function(t){return void 0!==n[t]?!0:i(t)}},{\"./is_valid_scale_array\":499,\"./scales\":501}],499:[function(t,e,r){\"use strict\";var n=t(\"tinycolor2\");e.exports=function(t){var e=0;if(!Array.isArray(t)||t.length<2)return!1;if(!t[0]||!t[t.length-1])return!1;if(0!==+t[0][0]||1!==+t[t.length-1][0])return!1;for(var r=0;r<t.length;r++){var i=t[r];if(2!==i.length||+i[0]<e||!n(i[1]).isValid())return!1;e=+i[0]}return!0}},{tinycolor2:454}],500:[function(t,e,r){\"use strict\";var n=t(\"d3\"),i=t(\"tinycolor2\"),o=t(\"fast-isnumeric\"),a=t(\"../../lib\"),s=t(\"../color\");e.exports=function(t,e,r){for(var l,u=t.length,c=new Array(u),h=new Array(u),f=0;u>f;f++)l=t[f],c[f]=e+l[0]*(r-e),h[f]=i(l[1]).toRgb();var d=n.scale.linear().domain(c).interpolate(n.interpolateObject).range(h);return function(t){if(o(t)){var n=a.constrain(t,e,r),l=d(n);return i(l).toRgbString()}return i(t).isValid()?t:s.defaultLine}}},{\"../../lib\":568,\"../color\":483,d3:119,\"fast-isnumeric\":123,tinycolor2:454}],501:[function(t,e,r){\"use strict\";e.exports={Greys:[[0,\"rgb(0,0,0)\"],[1,\"rgb(255,255,255)\"]],YlGnBu:[[0,\"rgb(8,29,88)\"],[.125,\"rgb(37,52,148)\"],[.25,\"rgb(34,94,168)\"],[.375,\"rgb(29,145,192)\"],[.5,\"rgb(65,182,196)\"],[.625,\"rgb(127,205,187)\"],[.75,\"rgb(199,233,180)\"],[.875,\"rgb(237,248,217)\"],[1,\"rgb(255,255,217)\"]],Greens:[[0,\"rgb(0,68,27)\"],[.125,\"rgb(0,109,44)\"],[.25,\"rgb(35,139,69)\"],[.375,\"rgb(65,171,93)\"],[.5,\"rgb(116,196,118)\"],[.625,\"rgb(161,217,155)\"],[.75,\"rgb(199,233,192)\"],[.875,\"rgb(229,245,224)\"],[1,\"rgb(247,252,245)\"]],YlOrRd:[[0,\"rgb(128,0,38)\"],[.125,\"rgb(189,0,38)\"],[.25,\"rgb(227,26,28)\"],[.375,\"rgb(252,78,42)\"],[.5,\"rgb(253,141,60)\"],[.625,\"rgb(254,178,76)\"],[.75,\"rgb(254,217,118)\"],[.875,\"rgb(255,237,160)\"],[1,\"rgb(255,255,204)\"]],Bluered:[[0,\"rgb(0,0,255)\"],[1,\"rgb(255,0,0)\"]],RdBu:[[0,\"rgb(5,10,172)\"],[.35,\"rgb(106,137,247)\"],[.5,\"rgb(190,190,190)\"],[.6,\"rgb(220,170,132)\"],[.7,\"rgb(230,145,90)\"],[1,\"rgb(178,10,28)\"]],Reds:[[0,\"rgb(220,220,220)\"],[.2,\"rgb(245,195,157)\"],[.4,\"rgb(245,160,105)\"],[1,\"rgb(178,10,28)\"]],Blues:[[0,\"rgb(5,10,172)\"],[.35,\"rgb(40,60,190)\"],[.5,\"rgb(70,100,245)\"],[.6,\"rgb(90,120,245)\"],[.7,\"rgb(106,137,247)\"],[1,\"rgb(220,220,220)\"]],Picnic:[[0,\"rgb(0,0,255)\"],[.1,\"rgb(51,153,255)\"],[.2,\"rgb(102,204,255)\"],[.3,\"rgb(153,204,255)\"],[.4,\"rgb(204,204,255)\"],[.5,\"rgb(255,255,255)\"],[.6,\"rgb(255,204,255)\"],[.7,\"rgb(255,153,255)\"],[.8,\"rgb(255,102,204)\"],[.9,\"rgb(255,102,102)\"],[1,\"rgb(255,0,0)\"]],Rainbow:[[0,\"rgb(150,0,90)\"],[.125,\"rgb(0,0,200)\"],[.25,\"rgb(0,25,255)\"],[.375,\"rgb(0,152,255)\"],[.5,\"rgb(44,255,150)\"],[.625,\"rgb(151,255,0)\"],[.75,\"rgb(255,234,0)\"],[.875,\"rgb(255,111,0)\"],[1,\"rgb(255,0,0)\"]],Portland:[[0,\"rgb(12,51,131)\"],[.25,\"rgb(10,136,186)\"],[.5,\"rgb(242,211,56)\"],[.75,\"rgb(242,143,56)\"],[1,\"rgb(217,30,30)\"]],Jet:[[0,\"rgb(0,0,131)\"],[.125,\"rgb(0,60,170)\"],[.375,\"rgb(5,255,255)\"],[.625,\"rgb(255,255,0)\"],[.875,\"rgb(250,0,0)\"],[1,\"rgb(128,0,0)\"]],Hot:[[0,\"rgb(0,0,0)\"],[.3,\"rgb(230,0,0)\"],[.6,\"rgb(255,210,0)\"],[1,\"rgb(255,255,255)\"]],Blackbody:[[0,\"rgb(0,0,0)\"],[.2,\"rgb(230,0,0)\"],[.4,\"rgb(230,210,0)\"],[.7,\"rgb(255,255,255)\"],[1,\"rgb(160,200,255)\"]],Earth:[[0,\"rgb(0,0,130)\"],[.1,\"rgb(0,180,180)\"],[.2,\"rgb(40,210,40)\"],[.4,\"rgb(230,230,50)\"],[.6,\"rgb(120,70,20)\"],[1,\"rgb(255,255,255)\"]],Electric:[[0,\"rgb(0,0,0)\"],[.15,\"rgb(30,0,100)\"],[.4,\"rgb(120,0,100)\"],[.6,\"rgb(160,90,0)\"],[.8,\"rgb(230,200,0)\"],[1,\"rgb(255,250,220)\"]],Viridis:[[0,\"#440154\"],[.06274509803921569,\"#48186a\"],[.12549019607843137,\"#472d7b\"],[.18823529411764706,\"#424086\"],[.25098039215686274,\"#3b528b\"],[.3137254901960784,\"#33638d\"],[.3764705882352941,\"#2c728e\"],[.4392156862745098,\"#26828e\"],[.5019607843137255,\"#21918c\"],[.5647058823529412,\"#1fa088\"],[.6274509803921569,\"#28ae80\"],[.6901960784313725,\"#3fbc73\"],[.7529411764705882,\"#5ec962\"],[.8156862745098039,\"#84d44b\"],[.8784313725490196,\"#addc30\"],[.9411764705882353,\"#d8e219\"],[1,\"#fde725\"]]}},{}],502:[function(t,e,r){\"use strict\";e.exports=function(t,e,r,n,i){var o=(t-r)/(n-r),a=o+e/(n-r),s=(o+a)/2;return\"left\"===i||\"bottom\"===i?o:\"center\"===i||\"middle\"===i?s:\"right\"===i||\"top\"===i?a:2/3-s>o?o:a>4/3-s?a:s}},{}],503:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=[[\"sw-resize\",\"s-resize\",\"se-resize\"],[\"w-resize\",\"move\",\"e-resize\"],[\"nw-resize\",\"n-resize\",\"ne-resize\"]];e.exports=function(t,e,r,o){return t=\"left\"===r?0:\"center\"===r?1:\"right\"===r?2:n.constrain(Math.floor(3*t),0,2),e=\"bottom\"===o?0:\"middle\"===o?1:\"top\"===o?2:n.constrain(Math.floor(3*e),0,2),i[e][t]}},{\"../../lib\":568}],504:[function(t,e,r){\"use strict\";function n(){var t=document.createElement(\"div\");t.className=\"dragcover\";var e=t.style;return e.position=\"fixed\",e.left=0,e.right=0,e.top=0,e.bottom=0,e.zIndex=999999999,e.background=\"none\",document.body.appendChild(t),t}function i(t){t._dragging=!1,t._replotPending&&o.plot(t)}var o=t(\"../../plotly\"),a=t(\"../../lib\"),s=t(\"../../plots/cartesian/constants\"),l=e.exports={};l.align=t(\"./align\"),l.getCursor=t(\"./cursor\");var u=t(\"./unhover\");l.unhover=u.wrapped,l.unhoverRaw=u.raw,l.init=function(t){function e(e){return t.element.onmousemove=p,v._dragged=!1,v._dragging=!0,u=e.clientX,c=e.clientY,d=e.target,h=(new Date).getTime(),h-v._mouseDownTime<g?m+=1:(m=1,v._mouseDownTime=h),t.prepFn&&t.prepFn(e,u,c),f=n(),f.onmousemove=r,f.onmouseup=o,f.onmouseout=o,f.style.cursor=window.getComputedStyle(t.element).cursor,a.pauseEvent(e)}function r(e){var r=e.clientX-u,n=e.clientY-c,i=t.minDrag||s.MINDRAG;return Math.abs(r)<i&&(r=0),Math.abs(n)<i&&(n=0),(r||n)&&(v._dragged=!0,l.unhover(v)),t.moveFn&&t.moveFn(r,n,v._dragged),a.pauseEvent(e)}function o(e){if(p=t.element.onmousemove,t.setCursor&&(t.element.onmousemove=t.setCursor),f.onmousemove=null,f.onmouseup=null,f.onmouseout=null,a.removeElement(f),!v._dragging)return void(v._dragged=!1);if(v._dragging=!1,(new Date).getTime()-v._mouseDownTime>g&&(m=Math.max(m-1,1)),t.doneFn&&t.doneFn(v._dragged,m),!v._dragged){var r=document.createEvent(\"MouseEvents\");r.initEvent(\"click\",!0,!0),d.dispatchEvent(r)}return i(v),v._dragged=!1,a.pauseEvent(e)}var u,c,h,f,d,p,v=a.getPlotDiv(t.element)||{},m=1,g=s.DBLCLICKDELAY;v._mouseDownTime||(v._mouseDownTime=0),p=t.element.onmousemove,t.setCursor&&(t.element.onmousemove=t.setCursor),t.element.onmousedown=e,t.element.style.pointerEvents=\"all\"}},{\"../../lib\":568,\"../../plotly\":589,\"../../plots/cartesian/constants\":597,\"./align\":502,\"./cursor\":503,\"./unhover\":505}],505:[function(t,e,r){\"use strict\";var n=t(\"../../lib/events\"),i=e.exports={};i.wrapped=function(t,e,r){\"string\"==typeof t&&(t=document.getElementById(t)),t._hoverTimer&&(clearTimeout(t._hoverTimer),t._hoverTimer=void 0),i.raw(t,e,r)},i.raw=function(t,e){var r=t._fullLayout;e||(e={}),e.target&&n.triggerHandler(t,\"plotly_beforehover\",e)===!1||(r._hoverlayer.selectAll(\"g\").remove(),e.target&&t._hoverdata&&t.emit(\"plotly_unhover\",{points:t._hoverdata}),t._hoverdata=void 0)}},{\"../../lib/events\":562}],506:[function(t,e,r){\"use strict\";function n(t,e,r,n){var o=t[0]-e[0],a=t[1]-e[1],s=r[0]-e[0],l=r[1]-e[1],u=Math.pow(o*o+a*a,x/2),c=Math.pow(s*s+l*l,x/2),h=(c*c*o-u*u*s)*n,f=(c*c*a-u*u*l)*n,d=3*c*(u+c),p=3*u*(u+c);return[[i.round(e[0]+(d&&h/d),2),i.round(e[1]+(d&&f/d),2)],[i.round(e[0]-(p&&h/p),2),i.round(e[1]-(p&&f/p),2)]]}var i=t(\"d3\"),o=t(\"fast-isnumeric\"),a=t(\"../../plots/plots\"),s=t(\"../color\"),l=t(\"../colorscale\"),u=t(\"../../lib\"),c=t(\"../../lib/svg_text_utils\"),h=t(\"../../constants/xmlns_namespaces\"),f=t(\"../../traces/scatter/subtypes\"),d=t(\"../../traces/scatter/make_bubble_size_func\"),p=e.exports={};p.font=function(t,e,r,n){e&&e.family&&(n=e.color,r=e.size,e=e.family),e&&t.style(\"font-family\",e),r+1&&t.style(\"font-size\",r+\"px\"),n&&t.call(s.fill,n)},p.setPosition=function(t,e,r){t.attr(\"x\",e).attr(\"y\",r)},p.setSize=function(t,e,r){t.attr(\"width\",e).attr(\"height\",r)},p.setRect=function(t,e,r,n,i){t.call(p.setPosition,e,r).call(p.setSize,n,i)},p.translatePoints=function(t,e,r){t.each(function(t){var n=t.xp||e.c2p(t.x),a=t.yp||r.c2p(t.y),s=i.select(this);o(n)&&o(a)?\"text\"===this.nodeName?s.attr(\"x\",n).attr(\"y\",a):s.attr(\"transform\",\"translate(\"+n+\",\"+a+\")\"):s.remove()})},p.getPx=function(t,e){return Number(t.style(e).replace(/px$/,\"\"))},p.crispRound=function(t,e,r){return e&&o(e)?t._context.staticPlot?e:1>e?1:Math.round(e):r||0},p.lineGroupStyle=function(t,e,r,n){t.style(\"fill\",\"none\").each(function(t){var o=(((t||[])[0]||{}).trace||{}).line||{},a=e||o.width||0,l=n||o.dash||\"\";i.select(this).call(s.stroke,r||o.color).call(p.dashLine,l,a)})},p.dashLine=function(t,e,r){var n=Math.max(r,3);\"solid\"===e?e=\"\":\"dot\"===e?e=n+\"px,\"+n+\"px\":\"dash\"===e?e=3*n+\"px,\"+3*n+\"px\":\"longdash\"===e?e=5*n+\"px,\"+5*n+\"px\":\"dashdot\"===e?e=3*n+\"px,\"+n+\"px,\"+n+\"px,\"+n+\"px\":\"longdashdot\"===e&&(e=5*n+\"px,\"+2*n+\"px,\"+n+\"px,\"+2*n+\"px\"),t.style({\"stroke-dasharray\":e,\"stroke-width\":r+\"px\"})},p.fillGroupStyle=function(t){t.style(\"stroke-width\",0).each(function(e){var r=i.select(this);try{r.call(s.fill,e[0].trace.fillcolor)}catch(n){u.error(n,t),r.remove()}})};var v=t(\"./symbol_defs\");p.symbolNames=[],p.symbolFuncs=[],p.symbolNeedLines={},p.symbolNoDot={},p.symbolList=[],Object.keys(v).forEach(function(t){var e=v[t];p.symbolList=p.symbolList.concat([e.n,t,e.n+100,t+\"-open\"]),p.symbolNames[e.n]=t,p.symbolFuncs[e.n]=e.f,e.needLine&&(p.symbolNeedLines[e.n]=!0),e.noDot?p.symbolNoDot[e.n]=!0:p.symbolList=p.symbolList.concat([e.n+200,t+\"-dot\",e.n+300,t+\"-open-dot\"])});var m=p.symbolNames.length,g=\"M0,0.5L0.5,0L0,-0.5L-0.5,0Z\";p.symbolNumber=function(t){if(\"string\"==typeof t){var e=0;t.indexOf(\"-open\")>0&&(e=100,t=t.replace(\"-open\",\"\")),t.indexOf(\"-dot\")>0&&(e+=200,t=t.replace(\"-dot\",\"\")),t=p.symbolNames.indexOf(t),t>=0&&(t+=e)}return t%100>=m||t>=400?0:Math.floor(Math.max(t,0))},p.pointStyle=function(t,e){if(t.size()){var r=e.marker,n=r.line;if(a.traceIs(e,\"symbols\")){var o=d(e);t.attr(\"d\",function(t){var n;n=\"various\"===t.ms||\"various\"===r.size?3:f.isBubble(e)?o(t.ms):(r.size||6)/2,t.mrc=n;var i=p.symbolNumber(t.mx||r.symbol)||0,a=i%100;return t.om=i%200>=100,p.symbolFuncs[a](n)+(i>=200?g:\"\")}).style(\"opacity\",function(t){return(t.mo+1||r.opacity+1)-1})}var l=(e._input||{}).marker||{},u=p.tryColorscale(r,l,\"\"),c=p.tryColorscale(r,l,\"line.\");t.each(function(t){var e,o,a;t.so?(a=n.outlierwidth,o=n.outliercolor,e=r.outliercolor):(a=(t.mlw+1||n.width+1||(t.trace?t.trace.marker.line.width:0)+1)-1,o=\"mlc\"in t?t.mlcc=c(t.mlc):Array.isArray(n.color)?s.defaultLine:n.color,e=\"mc\"in t?t.mcc=u(t.mc):Array.isArray(r.color)?s.defaultLine:r.color||\"rgba(0,0,0,0)\");var l=i.select(this);t.om?l.call(s.stroke,e).style({\"stroke-width\":(a||1)+\"px\",fill:\"none\"}):(l.style(\"stroke-width\",a+\"px\").call(s.fill,e),a&&l.call(s.stroke,o))})}},p.tryColorscale=function(t,e,r){var n=u.nestedProperty(t,r+\"color\").get(),i=u.nestedProperty(t,r+\"colorscale\").get(),a=u.nestedProperty(t,r+\"cauto\").get(),s=u.nestedProperty(t,r+\"cmin\"),c=u.nestedProperty(t,r+\"cmax\"),h=s.get(),f=c.get();return i&&Array.isArray(n)?(!a&&o(h)&&o(f)||(h=1/0,f=-(1/0),n.forEach(function(t){o(t)&&(h>t&&(h=+t),t>f&&(f=+t))}),h>f&&(h=0,f=1),s.set(h),c.set(f),u.nestedProperty(e,r+\"cmin\").set(h),u.nestedProperty(e,r+\"cmax\").set(f)),l.makeScaleFunction(i,h,f)):u.identity};var y={start:1,end:-1,middle:0,bottom:1,top:-1},b=1.3;p.textPointStyle=function(t,e){t.each(function(t){var r=i.select(this),n=t.tx||e.text;if(!n||Array.isArray(n))return void r.remove();var a=t.tp||e.textposition,s=-1!==a.indexOf(\"top\")?\"top\":-1!==a.indexOf(\"bottom\")?\"bottom\":\"middle\",l=-1!==a.indexOf(\"left\")?\"end\":-1!==a.indexOf(\"right\")?\"start\":\"middle\",u=t.ts||e.textfont.size,h=t.mrc?t.mrc/.8+1:0;u=o(u)&&u>0?u:0,r.call(p.font,t.tf||e.textfont.family,u,t.tc||e.textfont.color).attr(\"text-anchor\",l).text(n).call(c.convertToTspans);var f=i.select(this.parentNode),d=r.selectAll(\"tspan.line\"),v=((d[0].length||1)-1)*b+1,m=y[l]*h,g=.75*u+y[s]*h+(y[s]-1)*v*u/2;f.attr(\"transform\",\"translate(\"+m+\",\"+g+\")\"),v>1&&d.attr({x:r.attr(\"x\"),y:r.attr(\"y\")})})};var x=.5;p.smoothopen=function(t,e){if(t.length<3)return\"M\"+t.join(\"L\");var r,i=\"M\"+t[0],o=[];for(r=1;r<t.length-1;r++)o.push(n(t[r-1],t[r],t[r+1],e));for(i+=\"Q\"+o[0][0]+\" \"+t[1],r=2;r<t.length-1;r++)i+=\"C\"+o[r-2][1]+\" \"+o[r-1][0]+\" \"+t[r];return i+=\"Q\"+o[t.length-3][1]+\" \"+t[t.length-1]},p.smoothclosed=function(t,e){if(t.length<3)return\"M\"+t.join(\"L\")+\"Z\";var r,i=\"M\"+t[0],o=t.length-1,a=[n(t[o],t[0],t[1],e)];for(r=1;o>r;r++)a.push(n(t[r-1],t[r],t[r+1],e));for(a.push(n(t[o-1],t[o],t[0],e)),r=1;o>=r;r++)i+=\"C\"+a[r-1][1]+\" \"+a[r][0]+\" \"+t[r];return i+=\"C\"+a[o][1]+\" \"+a[0][0]+\" \"+t[0]+\"Z\"};var _={hv:function(t,e){return\"H\"+i.round(e[0],2)+\"V\"+i.round(e[1],2)},vh:function(t,e){return\"V\"+i.round(e[1],2)+\"H\"+i.round(e[0],2)},hvh:function(t,e){return\"H\"+i.round((t[0]+e[0])/2,2)+\"V\"+i.round(e[1],2)+\"H\"+i.round(e[0],2)},vhv:function(t,e){return\"V\"+i.round((t[1]+e[1])/2,2)+\"H\"+i.round(e[0],2)+\"V\"+i.round(e[1],2)}},w=function(t,e){return\"L\"+i.round(e[0],2)+\",\"+i.round(e[1],2)};p.steps=function(t){var e=_[t]||w;return function(t){for(var r=\"M\"+i.round(t[0][0],2)+\",\"+i.round(t[0][1],2),n=1;n<t.length;n++)r+=e(t[n-1],t[n]);return r}},p.makeTester=function(t){var e=i.select(\"body\").selectAll(\"#js-plotly-tester\").data([0]);e.enter().append(\"svg\").attr(\"id\",\"js-plotly-tester\").attr(h.svgAttrs).style({position:\"absolute\",left:\"-10000px\",top:\"-10000px\",width:\"9000px\",height:\"9000px\",\"z-index\":\"1\"});var r=e.selectAll(\".js-reference-point\").data([0]);r.enter().append(\"path\").classed(\"js-reference-point\",!0).attr(\"d\",\"M0,0H1V1H0Z\").style({\"stroke-width\":0,fill:\"black\"}),e.node()._cache||(e.node()._cache={}),t._tester=e,t._testref=r};var M=[],k=1e4;p.bBox=function(t){var e=t.attributes[\"data-bb\"];if(e&&e.value)return u.extendFlat({},M[e.value]);var r=i.select(\"#js-plotly-tester\"),n=r.node(),o=t.cloneNode(!0);n.appendChild(o),i.select(o).attr({x:0,y:0,transform:\"\"});var a=o.getBoundingClientRect(),s=r.select(\".js-reference-point\").node().getBoundingClientRect();n.removeChild(o);var l={height:a.height,width:a.width,left:a.left-s.left,top:a.top-s.top,right:a.right-s.left,bottom:a.bottom-s.top};return M.length>=k&&(i.selectAll(\"[data-bb]\").attr(\"data-bb\",null),M=[]),t.setAttribute(\"data-bb\",M.length),M.push(l),u.extendFlat({},l)},p.setClipUrl=function(t,e){if(!e)return void t.attr(\"clip-path\",null);var r=\"#\"+e,n=i.select(\"base\");n.size()&&n.attr(\"href\")&&(r=window.location.href+r),t.attr(\"clip-path\",\"url(\"+r+\")\")}},{\"../../constants/xmlns_namespaces\":556,\"../../lib\":568,\"../../lib/svg_text_utils\":581,\"../../plots/plots\":648,\"../../traces/scatter/make_bubble_size_func\":764,\"../../traces/scatter/subtypes\":769,\"../color\":483,\"../colorscale\":497,\"./symbol_defs\":507,d3:119,\"fast-isnumeric\":123}],507:[function(t,e,r){\"use strict\";var n=t(\"d3\");e.exports={circle:{n:0,f:function(t){var e=n.round(t,2);return\"M\"+e+\",0A\"+e+\",\"+e+\" 0 1,1 0,-\"+e+\"A\"+e+\",\"+e+\" 0 0,1 \"+e+\",0Z\"}},square:{n:1,f:function(t){var e=n.round(t,2);return\"M\"+e+\",\"+e+\"H-\"+e+\"V-\"+e+\"H\"+e+\"Z\"}},diamond:{n:2,f:function(t){var e=n.round(1.3*t,2);return\"M\"+e+\",0L0,\"+e+\"L-\"+e+\",0L0,-\"+e+\"Z\"}},cross:{n:3,f:function(t){var e=n.round(.4*t,2),r=n.round(1.2*t,2);return\"M\"+r+\",\"+e+\"H\"+e+\"V\"+r+\"H-\"+e+\"V\"+e+\"H-\"+r+\"V-\"+e+\"H-\"+e+\"V-\"+r+\"H\"+e+\"V-\"+e+\"H\"+r+\"Z\"}},x:{n:4,f:function(t){var e=n.round(.8*t/Math.sqrt(2),2),r=\"l\"+e+\",\"+e,i=\"l\"+e+\",-\"+e,o=\"l-\"+e+\",-\"+e,a=\"l-\"+e+\",\"+e;return\"M0,\"+e+r+i+o+i+o+a+o+a+r+a+r+\"Z\"}},\"triangle-up\":{n:5,f:function(t){var e=n.round(2*t/Math.sqrt(3),2),r=n.round(t/2,2),i=n.round(t,2);return\"M-\"+e+\",\"+r+\"H\"+e+\"L0,-\"+i+\"Z\"}},\"triangle-down\":{n:6,f:function(t){var e=n.round(2*t/Math.sqrt(3),2),r=n.round(t/2,2),i=n.round(t,2);return\"M-\"+e+\",-\"+r+\"H\"+e+\"L0,\"+i+\"Z\"}},\"triangle-left\":{n:7,f:function(t){var e=n.round(2*t/Math.sqrt(3),2),r=n.round(t/2,2),i=n.round(t,2);return\"M\"+r+\",-\"+e+\"V\"+e+\"L-\"+i+\",0Z\"}},\"triangle-right\":{n:8,f:function(t){var e=n.round(2*t/Math.sqrt(3),2),r=n.round(t/2,2),i=n.round(t,2);return\"M-\"+r+\",-\"+e+\"V\"+e+\"L\"+i+\",0Z\"}},\"triangle-ne\":{n:9,f:function(t){var e=n.round(.6*t,2),r=n.round(1.2*t,2);return\"M-\"+r+\",-\"+e+\"H\"+e+\"V\"+r+\"Z\"}},\"triangle-se\":{n:10,f:function(t){var e=n.round(.6*t,2),r=n.round(1.2*t,2);return\"M\"+e+\",-\"+r+\"V\"+e+\"H-\"+r+\"Z\"}},\"triangle-sw\":{n:11,f:function(t){var e=n.round(.6*t,2),r=n.round(1.2*t,2);return\"M\"+r+\",\"+e+\"H-\"+e+\"V-\"+r+\"Z\"}},\"triangle-nw\":{n:12,f:function(t){var e=n.round(.6*t,2),r=n.round(1.2*t,2);return\"M-\"+e+\",\"+r+\"V-\"+e+\"H\"+r+\"Z\"}},pentagon:{n:13,f:function(t){var e=n.round(.951*t,2),r=n.round(.588*t,2),i=n.round(-t,2),o=n.round(t*-.309,2),a=n.round(.809*t,2);return\"M\"+e+\",\"+o+\"L\"+r+\",\"+a+\"H-\"+r+\"L-\"+e+\",\"+o+\"L0,\"+i+\"Z\"}},hexagon:{n:14,f:function(t){var e=n.round(t,2),r=n.round(t/2,2),i=n.round(t*Math.sqrt(3)/2,2);return\"M\"+i+\",-\"+r+\"V\"+r+\"L0,\"+e+\"L-\"+i+\",\"+r+\"V-\"+r+\"L0,-\"+e+\"Z\"}},hexagon2:{n:15,f:function(t){var e=n.round(t,2),r=n.round(t/2,2),i=n.round(t*Math.sqrt(3)/2,2);return\"M-\"+r+\",\"+i+\"H\"+r+\"L\"+e+\",0L\"+r+\",-\"+i+\"H-\"+r+\"L-\"+e+\",0Z\"}},octagon:{n:16,f:function(t){var e=n.round(.924*t,2),r=n.round(.383*t,2);return\"M-\"+r+\",-\"+e+\"H\"+r+\"L\"+e+\",-\"+r+\"V\"+r+\"L\"+r+\",\"+e+\"H-\"+r+\"L-\"+e+\",\"+r+\"V-\"+r+\"Z\"}},star:{n:17,f:function(t){var e=1.4*t,r=n.round(.225*e,2),i=n.round(.951*e,2),o=n.round(.363*e,2),a=n.round(.588*e,2),s=n.round(-e,2),l=n.round(e*-.309,2),u=n.round(.118*e,2),c=n.round(.809*e,2),h=n.round(.382*e,2);return\"M\"+r+\",\"+l+\"H\"+i+\"L\"+o+\",\"+u+\"L\"+a+\",\"+c+\"L0,\"+h+\"L-\"+a+\",\"+c+\"L-\"+o+\",\"+u+\"L-\"+i+\",\"+l+\"H-\"+r+\"L0,\"+s+\"Z\"}},hexagram:{n:18,f:function(t){var e=n.round(.66*t,2),r=n.round(.38*t,2),i=n.round(.76*t,2);return\"M-\"+i+\",0l-\"+r+\",-\"+e+\"h\"+i+\"l\"+r+\",-\"+e+\"l\"+r+\",\"+e+\"h\"+i+\"l-\"+r+\",\"+e+\"l\"+r+\",\"+e+\"h-\"+i+\"l-\"+r+\",\"+e+\"l-\"+r+\",-\"+e+\"h-\"+i+\"Z\"}},\"star-triangle-up\":{n:19,f:function(t){var e=n.round(t*Math.sqrt(3)*.8,2),r=n.round(.8*t,2),i=n.round(1.6*t,2),o=n.round(4*t,2),a=\"A \"+o+\",\"+o+\" 0 0 1 \";return\"M-\"+e+\",\"+r+a+e+\",\"+r+a+\"0,-\"+i+a+\"-\"+e+\",\"+r+\"Z\"}},\"star-triangle-down\":{n:20,f:function(t){var e=n.round(t*Math.sqrt(3)*.8,2),r=n.round(.8*t,2),i=n.round(1.6*t,2),o=n.round(4*t,2),a=\"A \"+o+\",\"+o+\" 0 0 1 \";return\"M\"+e+\",-\"+r+a+\"-\"+e+\",-\"+r+a+\"0,\"+i+a+e+\",-\"+r+\"Z\"}},\"star-square\":{n:21,f:function(t){var e=n.round(1.1*t,2),r=n.round(2*t,2),i=\"A \"+r+\",\"+r+\" 0 0 1 \";return\"M-\"+e+\",-\"+e+i+\"-\"+e+\",\"+e+i+e+\",\"+e+i+e+\",-\"+e+i+\"-\"+e+\",-\"+e+\"Z\"}},\"star-diamond\":{n:22,f:function(t){var e=n.round(1.4*t,2),r=n.round(1.9*t,2),i=\"A \"+r+\",\"+r+\" 0 0 1 \";return\"M-\"+e+\",0\"+i+\"0,\"+e+i+e+\",0\"+i+\"0,-\"+e+i+\"-\"+e+\",0Z\"}},\"diamond-tall\":{n:23,f:function(t){var e=n.round(.7*t,2),r=n.round(1.4*t,2);return\"M0,\"+r+\"L\"+e+\",0L0,-\"+r+\"L-\"+e+\",0Z\"}},\"diamond-wide\":{n:24,f:function(t){var e=n.round(1.4*t,2),r=n.round(.7*t,2);return\"M0,\"+r+\"L\"+e+\",0L0,-\"+r+\"L-\"+e+\",0Z\"}},hourglass:{n:25,f:function(t){var e=n.round(t,2);return\"M\"+e+\",\"+e+\"H-\"+e+\"L\"+e+\",-\"+e+\"H-\"+e+\"Z\"},noDot:!0},bowtie:{n:26,f:function(t){var e=n.round(t,2);return\"M\"+e+\",\"+e+\"V-\"+e+\"L-\"+e+\",\"+e+\"V-\"+e+\"Z\"},noDot:!0},\"circle-cross\":{n:27,f:function(t){var e=n.round(t,2);return\"M0,\"+e+\"V-\"+e+\"M\"+e+\",0H-\"+e+\"M\"+e+\",0A\"+e+\",\"+e+\" 0 1,1 0,-\"+e+\"A\"+e+\",\"+e+\" 0 0,1 \"+e+\",0Z\"},needLine:!0,noDot:!0},\"circle-x\":{n:28,f:function(t){var e=n.round(t,2),r=n.round(t/Math.sqrt(2),2);return\"M\"+r+\",\"+r+\"L-\"+r+\",-\"+r+\"M\"+r+\",-\"+r+\"L-\"+r+\",\"+r+\"M\"+e+\",0A\"+e+\",\"+e+\" 0 1,1 0,-\"+e+\"A\"+e+\",\"+e+\" 0 0,1 \"+e+\",0Z\"},needLine:!0,noDot:!0},\"square-cross\":{n:29,f:function(t){var e=n.round(t,2);return\"M0,\"+e+\"V-\"+e+\"M\"+e+\",0H-\"+e+\"M\"+e+\",\"+e+\"H-\"+e+\"V-\"+e+\"H\"+e+\"Z\"},needLine:!0,noDot:!0},\"square-x\":{n:30,f:function(t){var e=n.round(t,2);return\"M\"+e+\",\"+e+\"L-\"+e+\",-\"+e+\"M\"+e+\",-\"+e+\"L-\"+e+\",\"+e+\"M\"+e+\",\"+e+\"H-\"+e+\"V-\"+e+\"H\"+e+\"Z\"},needLine:!0,noDot:!0},\"diamond-cross\":{n:31,f:function(t){var e=n.round(1.3*t,2);return\"M\"+e+\",0L0,\"+e+\"L-\"+e+\",0L0,-\"+e+\"ZM0,-\"+e+\"V\"+e+\"M-\"+e+\",0H\"+e},needLine:!0,noDot:!0},\"diamond-x\":{n:32,f:function(t){var e=n.round(1.3*t,2),r=n.round(.65*t,2);return\"M\"+e+\",0L0,\"+e+\"L-\"+e+\",0L0,-\"+e+\"ZM-\"+r+\",-\"+r+\"L\"+r+\",\"+r+\"M-\"+r+\",\"+r+\"L\"+r+\",-\"+r},needLine:!0,noDot:!0},\"cross-thin\":{n:33,f:function(t){var e=n.round(1.4*t,2);return\"M0,\"+e+\"V-\"+e+\"M\"+e+\",0H-\"+e},needLine:!0,noDot:!0},\"x-thin\":{n:34,f:function(t){var e=n.round(t,2);return\"M\"+e+\",\"+e+\"L-\"+e+\",-\"+e+\"M\"+e+\",-\"+e+\"L-\"+e+\",\"+e},needLine:!0,noDot:!0},asterisk:{n:35,f:function(t){var e=n.round(1.2*t,2),r=n.round(.85*t,2);return\"M0,\"+e+\"V-\"+e+\"M\"+e+\",0H-\"+e+\"M\"+r+\",\"+r+\"L-\"+r+\",-\"+r+\"M\"+r+\",-\"+r+\"L-\"+r+\",\"+r},needLine:!0,noDot:!0},hash:{n:36,f:function(t){var e=n.round(t/2,2),r=n.round(t,2);return\"M\"+e+\",\"+r+\"V-\"+r+\"m-\"+r+\",0V\"+r+\"M\"+r+\",\"+e+\"H-\"+r+\"m0,-\"+r+\"H\"+r},needLine:!0},\"y-up\":{n:37,f:function(t){var e=n.round(1.2*t,2),r=n.round(1.6*t,2),i=n.round(.8*t,2);return\"M-\"+e+\",\"+i+\"L0,0M\"+e+\",\"+i+\"L0,0M0,-\"+r+\"L0,0\"},needLine:!0,noDot:!0},\"y-down\":{n:38,f:function(t){var e=n.round(1.2*t,2),r=n.round(1.6*t,2),i=n.round(.8*t,2);return\"M-\"+e+\",-\"+i+\"L0,0M\"+e+\",-\"+i+\"L0,0M0,\"+r+\"L0,0\"},needLine:!0,noDot:!0},\"y-left\":{n:39,f:function(t){var e=n.round(1.2*t,2),r=n.round(1.6*t,2),i=n.round(.8*t,2);return\"M\"+i+\",\"+e+\"L0,0M\"+i+\",-\"+e+\"L0,0M-\"+r+\",0L0,0\"},needLine:!0,noDot:!0},\"y-right\":{n:40,f:function(t){var e=n.round(1.2*t,2),r=n.round(1.6*t,2),i=n.round(.8*t,2);return\"M-\"+i+\",\"+e+\"L0,0M-\"+i+\",-\"+e+\"L0,0M\"+r+\",0L0,0\"},needLine:!0,noDot:!0},\"line-ew\":{n:41,f:function(t){var e=n.round(1.4*t,2);return\"M\"+e+\",0H-\"+e},needLine:!0,noDot:!0},\"line-ns\":{n:42,f:function(t){var e=n.round(1.4*t,2);return\"M0,\"+e+\"V-\"+e},needLine:!0,noDot:!0},\"line-ne\":{n:43,f:function(t){var e=n.round(t,2);return\"M\"+e+\",-\"+e+\"L-\"+e+\",\"+e},needLine:!0,noDot:!0},\"line-nw\":{n:44,f:function(t){var e=n.round(t,2);return\"M\"+e+\",\"+e+\"L-\"+e+\",-\"+e},needLine:!0,noDot:!0}}},{d3:119}],508:[function(t,e,r){\"use strict\";e.exports={visible:{valType:\"boolean\"},type:{valType:\"enumerated\",values:[\"percent\",\"constant\",\"sqrt\",\"data\"]},symmetric:{valType:\"boolean\"},array:{valType:\"data_array\"},arrayminus:{valType:\"data_array\"},value:{valType:\"number\",min:0,dflt:10},valueminus:{valType:\"number\",min:0,dflt:10},traceref:{valType:\"integer\",min:0,dflt:0},tracerefminus:{valType:\"integer\",min:0,dflt:0},copy_ystyle:{valType:\"boolean\"},copy_zstyle:{valType:\"boolean\"},color:{valType:\"color\"},thickness:{valType:\"number\",min:0,dflt:2},width:{valType:\"number\",min:0},_deprecated:{opacity:{valType:\"number\"}}}},{}],509:[function(t,e,r){\"use strict\";function n(t,e,r,n){var o=e[\"error_\"+n]||{},l=o.visible&&-1!==[\"linear\",\"log\"].indexOf(r.type),u=[];if(l){for(var c=s(o),h=0;h<t.length;h++){var f=t[h],d=f[n];if(i(r.c2l(d))){var p=c(d,h);if(i(p[0])&&i(p[1])){var v=f[n+\"s\"]=d-p[0],m=f[n+\"h\"]=d+p[1];u.push(v,m)}}}a.expand(r,u,{padded:!0})}}var i=t(\"fast-isnumeric\"),o=t(\"../../plots/plots\"),a=t(\"../../plots/cartesian/axes\"),s=t(\"./compute_error\");e.exports=function(t){for(var e=t.calcdata,r=0;r<e.length;r++){var i=e[r],s=i[0].trace;if(o.traceIs(s,\"errorBarsOK\")){var l=a.getFromId(t,s.xaxis),u=a.getFromId(t,s.yaxis);n(i,s,l,\"x\"),n(i,s,u,\"y\")}}}},{\"../../plots/cartesian/axes\":592,\"../../plots/plots\":648,\"./compute_error\":510,\"fast-isnumeric\":123}],510:[function(t,e,r){\"use strict\";function n(t,e){return\"percent\"===t?function(t){return Math.abs(t*e/100)}:\"constant\"===t?function(){return Math.abs(e)}:\"sqrt\"===t?function(t){return Math.sqrt(Math.abs(t))}:void 0}e.exports=function(t){var e=t.type,r=t.symmetric;if(\"data\"===e){var i=t.array,o=t.arrayminus;return r||void 0===o?function(t,e){var r=+i[e];return[r,r]}:function(t,e){return[+o[e],+i[e]]}}var a=n(e,t.value),s=n(e,t.valueminus);return r||void 0===t.valueminus?function(t){var e=a(t);return[e,e]}:function(t){return[s(t),a(t)]}}},{}],511:[function(t,e,r){\"use strict\";var n=t(\"fast-isnumeric\"),i=t(\"../../plots/plots\"),o=t(\"../../lib\"),a=t(\"./attributes\");e.exports=function(t,e,r,s){function l(t,e){return o.coerce(h,c,a,t,e)}var u=\"error_\"+s.axis,c=e[u]={},h=t[u]||{},f=void 0!==h.array||void 0!==h.value||\"sqrt\"===h.type,d=l(\"visible\",f);if(d!==!1){var p=l(\"type\",\"array\"in h?\"data\":\"percent\"),v=!0;if(\"sqrt\"!==p&&(v=l(\"symmetric\",!((\"data\"===p?\"arrayminus\":\"valueminus\")in h))),\"data\"===p){var m=l(\"array\");if(m||(c.array=[]),l(\"traceref\"),!v){var g=l(\"arrayminus\");g||(c.arrayminus=[]),l(\"tracerefminus\")}}else\"percent\"!==p&&\"constant\"!==p||(l(\"value\"),v||l(\"valueminus\"));var y=\"copy_\"+s.inherit+\"style\";if(s.inherit){var b=e[\"error_\"+s.inherit];(b||{}).visible&&l(y,!(h.color||n(h.thickness)||n(h.width)))}s.inherit&&c[y]||(l(\"color\",r),l(\"thickness\"),l(\"width\",i.traceIs(e,\"gl3d\")?0:4))}}},{\"../../lib\":568,\"../../plots/plots\":648,\"./attributes\":508,\"fast-isnumeric\":123}],512:[function(t,e,r){\"use strict\";var n=e.exports={};n.attributes=t(\"./attributes\"),n.supplyDefaults=t(\"./defaults\"),n.calc=t(\"./calc\"),n.calcFromTrace=function(t,e){for(var r=t.x||[],i=t.y,o=r.length||i.length,a=new Array(o),s=0;o>s;s++)a[s]={x:r[s],y:i[s]};return a[0].trace=t,n.calc({calcdata:[a],_fullLayout:e}),a},n.plot=t(\"./plot\"),n.style=t(\"./style\"),n.hoverInfo=function(t,e,r){(e.error_y||{}).visible&&(r.yerr=t.yh-t.y,e.error_y.symmetric||(r.yerrneg=t.y-t.ys)),(e.error_x||{}).visible&&(r.xerr=t.xh-t.x,e.error_x.symmetric||(r.xerrneg=t.x-t.xs))}},{\"./attributes\":508,\"./calc\":509,\"./defaults\":511,\"./plot\":513,\"./style\":514}],513:[function(t,e,r){\"use strict\";function n(t,e,r){var n={x:e.c2p(t.x),y:r.c2p(t.y)};return void 0!==t.yh&&(n.yh=r.c2p(t.yh),n.ys=r.c2p(t.ys),o(n.ys)||(n.noYS=!0,n.ys=r.c2p(t.ys,!0))),void 0!==t.xh&&(n.xh=e.c2p(t.xh),n.xs=e.c2p(t.xs),o(n.xs)||(n.noXS=!0,n.xs=e.c2p(t.xs,!0))),n}var i=t(\"d3\"),o=t(\"fast-isnumeric\"),a=t(\"../../lib\"),s=t(\"../../traces/scatter/subtypes\");e.exports=function(t,e){var r=e.x(),l=e.y();t.each(function(t){var e=t[0].trace,u=e.error_x||{},c=e.error_y||{},h=s.hasMarkers(e)&&e.marker.maxdisplayed>0;if(c.visible||u.visible){var f=i.select(this).selectAll(\"g.errorbar\").data(a.identity);f.enter().append(\"g\").classed(\"errorbar\",!0),f.each(function(t){var e=i.select(this),a=n(t,r,l);if(!h||t.vis){var s;if(c.visible&&o(a.x)&&o(a.yh)&&o(a.ys)){var f=c.width;s=\"M\"+(a.x-f)+\",\"+a.yh+\"h\"+2*f+\"m-\"+f+\",0V\"+a.ys,a.noYS||(s+=\"m-\"+f+\",0h\"+2*f),e.append(\"path\").classed(\"yerror\",!0).attr(\"d\",s)}if(u.visible&&o(a.y)&&o(a.xh)&&o(a.xs)){var d=(u.copy_ystyle?c:u).width;s=\"M\"+a.xh+\",\"+(a.y-d)+\"v\"+2*d+\"m0,-\"+d+\"H\"+a.xs,a.noXS||(s+=\"m0,-\"+d+\"v\"+2*d),e.append(\"path\").classed(\"xerror\",!0).attr(\"d\",s)}}})}})}},{\"../../lib\":568,\"../../traces/scatter/subtypes\":769,d3:119,\"fast-isnumeric\":123}],514:[function(t,e,r){\"use strict\";var n=t(\"d3\"),i=t(\"../color\");e.exports=function(t){t.each(function(t){var e=t[0].trace,r=e.error_y||{},o=e.error_x||{},a=n.select(this);a.selectAll(\"path.yerror\").style(\"stroke-width\",r.thickness+\"px\").call(i.stroke,r.color),o.copy_ystyle&&(o=r),a.selectAll(\"path.xerror\").style(\"stroke-width\",o.thickness+\"px\").call(i.stroke,o.color)})}},{\"../color\":483,d3:119}],515:[function(t,e,r){\"use strict\";var n=t(\"../../plots/cartesian/constants\");e.exports={_isLinkedToArray:!0,source:{valType:\"string\"},layer:{valType:\"enumerated\",values:[\"below\",\"above\"],dflt:\"above\"},sizex:{valType:\"number\",dflt:0},sizey:{valType:\"number\",dflt:0},sizing:{valType:\"enumerated\",values:[\"fill\",\"contain\",\"stretch\"],dflt:\"contain\"},opacity:{valType:\"number\",min:0,max:1,dflt:1},x:{valType:\"number\",dflt:0},y:{valType:\"number\",dflt:0},xanchor:{valType:\"enumerated\",values:[\"left\",\"center\",\"right\"],dflt:\"left\"},yanchor:{valType:\"enumerated\",values:[\"top\",\"middle\",\"bottom\"],dflt:\"top\"},xref:{valType:\"enumerated\",values:[\"paper\",n.idRegex.x.toString()],dflt:\"paper\"},yref:{valType:\"enumerated\",values:[\"paper\",n.idRegex.y.toString()],dflt:\"paper\"}}},{\"../../plots/cartesian/constants\":597}],516:[function(t,e,r){\"use strict\";function n(t,e,r){function n(r,n){return o.coerce(t,e,a,r,n)}e=e||{},n(\"source\"),n(\"layer\"),n(\"x\"),n(\"y\"),n(\"xanchor\"),n(\"yanchor\"),n(\"sizex\"),n(\"sizey\"),n(\"sizing\"),n(\"opacity\");for(var s=0;2>s;s++){var l={_fullLayout:r},u=[\"x\",\"y\"][s];i.coerceRef(t,e,l,u,\"paper\")}return e}var i=t(\"../../plots/cartesian/axes\"),o=t(\"../../lib\"),a=t(\"./attributes\");e.exports=function(t,e){if(t.images&&Array.isArray(t.images))for(var r=t.images,i=e.images=[],o=0;o<r.length;o++){var a=r[o];if(a.source){var s=n(r[o]||{},i[o]||{},e);i.push(s)}}}},{\"../../lib\":568,\"../../plots/cartesian/axes\":592,\"./attributes\":515}],517:[function(t,e,r){\"use strict\";var n=t(\"d3\"),i=t(\"../drawing\"),o=t(\"../../plots/cartesian/axes\");e.exports=function(t){function e(e){var r=n.select(this),i=new Promise(function(t){function n(){r.remove(),t()}var i=new Image;i.setAttribute(\"crossOrigin\",\"anonymous\"),i.onerror=n,i.onload=function(){var t=document.createElement(\"canvas\");t.width=this.width,t.height=this.height;var e=t.getContext(\"2d\");e.drawImage(this,0,0);var n=t.toDataURL(\"image/png\");r.attr(\"xlink:href\",n)},r.on(\"error\",n),r.on(\"load\",t),i.src=e.source});t._promises.push(i)}function r(e){var r=n.select(this),a=o.getFromId(t,e.xref),l=o.getFromId(t,e.yref),u=s._size,c=a?Math.abs(a.l2p(e.sizex)-a.l2p(0)):e.sizex*u.w,h=l?Math.abs(l.l2p(e.sizey)-l.l2p(0)):e.sizey*u.h,f=c*d.x[e.xanchor].offset,p=h*d.y[e.yanchor].offset,v=d.x[e.xanchor].sizing+d.y[e.yanchor].sizing,m=(a?a.l2p(e.x)+a._offset:e.x*u.w+u.l)+f,g=(l?l.l2p(e.y)+l._offset:u.h-e.y*u.h+u.t)+p;switch(e.sizing){case\"fill\":v+=\" slice\";break;case\"stretch\":v=\"none\"}r.attr({x:m,y:g,width:c,height:h,preserveAspectRatio:v,opacity:e.opacity});var y=a?a._id:\"\",b=l?l._id:\"\",x=y+b;r.call(i.setClipUrl,\"clip\"+s._uid+x)}function a(t,e){return t.source+e}var s=t._fullLayout,l=[],u=[],c=[];if(s.images){for(var h=0;h<s.images.length;h++){var f=s.images[h];\"below\"===f.layer&&\"paper\"!==f.xref&&\"paper\"!==f.yref?u.push(f):\"above\"===f.layer?l.push(f):c.push(f)}var d={x:{left:{sizing:\"xMin\",offset:0},center:{sizing:\"xMid\",offset:-0.5},right:{sizing:\"xMax\",offset:-1}},y:{top:{sizing:\"YMin\",offset:0},middle:{sizing:\"YMid\",offset:-0.5},bottom:{sizing:\"YMax\",offset:-1}}},p=s._imageLowerLayer.selectAll(\"image\").data(c,a),v=s._imageSubplotLayer.selectAll(\"image\").data(u,a),m=s._imageUpperLayer.selectAll(\"image\").data(l,a);\np.enter().append(\"image\").each(e),v.enter().append(\"image\").each(e),m.enter().append(\"image\").each(e),p.exit().remove(),v.exit().remove(),m.exit().remove(),p.each(r),v.each(r),m.each(r)}}},{\"../../plots/cartesian/axes\":592,\"../drawing\":506,d3:119}],518:[function(t,e,r){\"use strict\";var n=t(\"./draw\"),i=t(\"./defaults\"),o=t(\"./attributes\");e.exports={draw:n,layoutAttributes:o,supplyLayoutDefaults:i}},{\"./attributes\":515,\"./defaults\":516,\"./draw\":517}],519:[function(t,e,r){\"use strict\";r.isRightAnchor=function(t){return\"right\"===t.xanchor||\"auto\"===t.xanchor&&t.x>=2/3},r.isCenterAnchor=function(t){return\"center\"===t.xanchor||\"auto\"===t.xanchor&&t.x>1/3&&t.x<2/3},r.isBottomAnchor=function(t){return\"bottom\"===t.yanchor||\"auto\"===t.yanchor&&t.y<=1/3},r.isMiddleAnchor=function(t){return\"middle\"===t.yanchor||\"auto\"===t.yanchor&&t.y>1/3&&t.y<2/3}},{}],520:[function(t,e,r){\"use strict\";var n=t(\"../../plots/font_attributes\"),i=t(\"../color/attributes\"),o=t(\"../../lib/extend\").extendFlat;e.exports={bgcolor:{valType:\"color\"},bordercolor:{valType:\"color\",dflt:i.defaultLine},borderwidth:{valType:\"number\",min:0,dflt:0},font:o({},n,{}),orientation:{valType:\"enumerated\",values:[\"v\",\"h\"],dflt:\"v\"},traceorder:{valType:\"flaglist\",flags:[\"reversed\",\"grouped\"],extras:[\"normal\"]},tracegroupgap:{valType:\"number\",min:0,dflt:10},x:{valType:\"number\",min:-2,max:3,dflt:1.02},xanchor:{valType:\"enumerated\",values:[\"auto\",\"left\",\"center\",\"right\"],dflt:\"left\"},y:{valType:\"number\",min:-2,max:3,dflt:1},yanchor:{valType:\"enumerated\",values:[\"auto\",\"top\",\"middle\",\"bottom\"],dflt:\"auto\"}}},{\"../../lib/extend\":563,\"../../plots/font_attributes\":610,\"../color/attributes\":482}],521:[function(t,e,r){\"use strict\";e.exports={scrollBarWidth:4,scrollBarHeight:20,scrollBarColor:\"#808BA4\",scrollBarMargin:4}},{}],522:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"../../plots/plots\"),o=t(\"./attributes\"),a=t(\"./helpers\");e.exports=function(t,e,r){function s(t,e){return n.coerce(f,d,o,t,e)}for(var l,u,c,h,f=t.legend||{},d=e.legend={},p=0,v=\"normal\",m=0;m<r.length;m++){var g=r[m];a.legendGetsTrace(g)&&(p++,i.traceIs(g,\"pie\")&&p++),(i.traceIs(g,\"bar\")&&\"stack\"===e.barmode||-1!==[\"tonextx\",\"tonexty\"].indexOf(g.fill))&&(v=a.isGrouped({traceorder:v})?\"grouped+reversed\":\"reversed\"),void 0!==g.legendgroup&&\"\"!==g.legendgroup&&(v=a.isReversed({traceorder:v})?\"reversed+grouped\":\"grouped\")}var y=n.coerce(t,e,i.layoutAttributes,\"showlegend\",p>1);if(y!==!1){if(s(\"bgcolor\",e.paper_bgcolor),s(\"bordercolor\"),s(\"borderwidth\"),n.coerceFont(s,\"font\",e.font),s(\"orientation\"),\"h\"===d.orientation){var b=t.xaxis;b&&b.rangeslider&&b.rangeslider.visible?(l=0,c=\"left\",u=1.1,h=\"bottom\"):(l=0,c=\"left\",u=-.1,h=\"top\")}s(\"traceorder\",v),a.isGrouped(e.legend)&&s(\"tracegroupgap\"),s(\"x\",l),s(\"xanchor\",c),s(\"y\",u),s(\"yanchor\",h),n.noneOrAll(f,d,[\"x\",\"y\"])}}},{\"../../lib\":568,\"../../plots/plots\":648,\"./attributes\":520,\"./helpers\":525}],523:[function(t,e,r){\"use strict\";function n(t,e){function r(r){c.util.convertToTspans(r,function(){r.selectAll(\"tspan.line\").attr({x:r.attr(\"x\")}),t.call(o,e)})}var n=t.data()[0][0],i=e._fullLayout,a=n.trace,s=f.traceIs(a,\"pie\"),l=a.index,u=s?n.label:a.name,h=t.selectAll(\"text.legendtext\").data([0]);h.enter().append(\"text\").classed(\"legendtext\",!0),h.attr({x:40,y:0,\"data-unformatted\":u}).style(\"text-anchor\",\"start\").classed(\"user-select-none\",!0).call(p.font,i.legend.font).text(u),e._context.editable&&!s?h.call(c.util.makeEditable).call(r).on(\"edit\",function(t){this.attr({\"data-unformatted\":t}),this.text(t).call(r),this.text()||(t=\"    \"),c.restyle(e,\"name\",t,l)}):h.call(r)}function i(t,e){var r=e._fullLayout.hiddenlabels?e._fullLayout.hiddenlabels.slice():[],n=t.selectAll(\"rect\").data([0]);n.enter().append(\"rect\").classed(\"legendtoggle\",!0).style(\"cursor\",\"pointer\").attr(\"pointer-events\",\"all\").call(v.fill,\"rgba(0,0,0,0)\"),n.on(\"click\",function(){if(!e._dragged){var n,i,o=t.data()[0][0],a=e._fullData,s=o.trace,l=s.legendgroup,u=[];if(f.traceIs(s,\"pie\")){var h=o.label,d=r.indexOf(h);-1===d?r.push(h):r.splice(d,1),c.relayout(e,\"hiddenlabels\",r)}else{if(\"\"===l)u=[s.index];else for(var p=0;p<a.length;p++)n=a[p],n.legendgroup===l&&u.push(n.index);i=s.visible===!0?\"legendonly\":!0,c.restyle(e,\"visible\",i,u)}}})}function o(t,e){var r,n,i=t.data()[0][0],o=t.selectAll(\".legendtoggle\"),a=t.select(\"g[class*=math-group]\"),s=e._fullLayout.legend,l=1.3*s.font.size;if(!i.trace.showlegend)return void t.remove();if(a.node()){var u=p.bBox(a.node());r=u.height,n=u.width,h.setTranslate(a,0,r/4)}else{var c=t.selectAll(\".legendtext\"),f=t.selectAll(\".legendtext>tspan\"),d=f[0].length||1;r=l*d,n=c.node()&&p.bBox(c.node()).width;var v=l*(.3+(1-d)/2);c.attr(\"y\",v),f.attr(\"y\",v)}r=Math.max(r,16)+3,o.attr({x:0,y:-r/2,height:r}),i.height=r,i.width=n}function a(t,e,r){var n=t._fullLayout,i=n.legend,o=i.borderwidth,a=b.isGrouped(i);if(b.isVertical(i))a&&e.each(function(t,e){h.setTranslate(this,0,e*i.tracegroupgap)}),i.width=0,i.height=0,r.each(function(t){var e=t[0],r=e.height,n=e.width;h.setTranslate(this,o,5+o+i.height+r/2),i.height+=r,i.width=Math.max(i.width,n)}),i.width+=45+2*o,i.height+=10+2*o,a&&(i.height+=(i._lgroupsLength-1)*i.tracegroupgap),r.selectAll(\".legendtoggle\").attr(\"width\",(t._context.editable?0:i.width)+40),i.width=Math.ceil(i.width),i.height=Math.ceil(i.height);else if(a){i.width=0,i.height=0;for(var s=[i.width],l=e.data(),c=0,f=l.length;f>c;c++){var d=l[c].map(function(t){return t[0].width}),p=40+Math.max.apply(null,d);i.width+=i.tracegroupgap+p,s.push(i.width)}e.each(function(t,e){h.setTranslate(this,s[e],0)}),e.each(function(){var t=u.select(this),e=t.selectAll(\"g.traces\"),r=0;e.each(function(t){var e=t[0],n=e.height;h.setTranslate(this,0,5+o+r+n/2),r+=n}),i.height=Math.max(i.height,r)}),i.height+=10+2*o,i.width+=2*o,i.width=Math.ceil(i.width),i.height=Math.ceil(i.height),r.selectAll(\".legendtoggle\").attr(\"width\",t._context.editable?0:i.width)}else{i.width=0,i.height=0;var v=0,m=0,g=0,y=0;r.each(function(t){g=Math.max(40+t[0].width,g)}),r.each(function(t){var e=t[0],r=g,a=i.tracegroupgap||5;o+y+a+r>n.width-(n.margin.r+n.margin.l)&&(y=0,v+=m,i.height=i.height+m,m=0),h.setTranslate(this,o+y,5+o+e.height/2+v),i.width+=a+r,i.height=Math.max(i.height,e.height),y+=a+r,m=Math.max(e.height,m)}),i.width+=2*o,i.height+=10+2*o,i.width=Math.ceil(i.width),i.height=Math.ceil(i.height),r.selectAll(\".legendtoggle\").attr(\"width\",t._context.editable?0:i.width)}}function s(t){var e=t._fullLayout,r=e.legend,n=\"left\";x.isRightAnchor(r)?n=\"right\":x.isCenterAnchor(r)&&(n=\"center\");var i=\"top\";x.isBottomAnchor(r)?i=\"bottom\":x.isMiddleAnchor(r)&&(i=\"middle\"),f.autoMargin(t,\"legend\",{x:r.x,y:r.y,l:r.width*({right:1,center:.5}[n]||0),r:r.width*({left:1,center:.5}[n]||0),b:r.height*({top:1,middle:.5}[i]||0),t:r.height*({bottom:1,middle:.5}[i]||0)})}function l(t){var e=t._fullLayout,r=e.legend,n=\"left\";x.isRightAnchor(r)?n=\"right\":x.isCenterAnchor(r)&&(n=\"center\"),f.autoMargin(t,\"legend\",{x:r.x,y:.5,l:r.width*({right:1,center:.5}[n]||0),r:r.width*({left:1,center:.5}[n]||0),b:0,t:0})}var u=t(\"d3\"),c=t(\"../../plotly\"),h=t(\"../../lib\"),f=t(\"../../plots/plots\"),d=t(\"../dragelement\"),p=t(\"../drawing\"),v=t(\"../color\"),m=t(\"./constants\"),g=t(\"./get_legend_data\"),y=t(\"./style\"),b=t(\"./helpers\"),x=t(\"./anchor_utils\");e.exports=function(t){function e(t,e){T.attr(\"data-scroll\",e).call(h.setTranslate,0,e),E.call(p.setRect,j,t,m.scrollBarWidth,m.scrollBarHeight),k.select(\"rect\").attr({y:b.borderwidth-e})}var r=t._fullLayout,o=\"legend\"+r._uid;if(r._infolayer&&t.calcdata){var b=r.legend,_=r.showlegend&&g(t.calcdata,b),w=r.hiddenlabels||[];if(!r.showlegend||!_.length)return r._infolayer.selectAll(\".legend\").remove(),r._topdefs.select(\"#\"+o).remove(),void f.autoMargin(t,\"legend\");var M=r._infolayer.selectAll(\"g.legend\").data([0]);M.enter().append(\"g\").attr({\"class\":\"legend\",\"pointer-events\":\"all\"});var k=r._topdefs.selectAll(\"#\"+o).data([0]);k.enter().append(\"clipPath\").attr(\"id\",o).append(\"rect\");var A=M.selectAll(\"rect.bg\").data([0]);A.enter().append(\"rect\").attr({\"class\":\"bg\",\"shape-rendering\":\"crispEdges\"}),A.call(v.stroke,b.bordercolor),A.call(v.fill,b.bgcolor),A.style(\"stroke-width\",b.borderwidth+\"px\");var T=M.selectAll(\"g.scrollbox\").data([0]);T.enter().append(\"g\").attr(\"class\",\"scrollbox\");var E=M.selectAll(\"rect.scrollbar\").data([0]);E.enter().append(\"rect\").attr({\"class\":\"scrollbar\",rx:20,ry:2,width:0,height:0}).call(v.fill,\"#808BA4\");var S=T.selectAll(\"g.groups\").data(_);S.enter().append(\"g\").attr(\"class\",\"groups\"),S.exit().remove();var L=S.selectAll(\"g.traces\").data(h.identity);L.enter().append(\"g\").attr(\"class\",\"traces\"),L.exit().remove(),L.call(y).style(\"opacity\",function(t){var e=t[0].trace;return f.traceIs(e,\"pie\")?-1!==w.indexOf(t[0].label)?.5:1:\"legendonly\"===e.visible?.5:1}).each(function(){u.select(this).call(n,t).call(i,t)});var z=0!==M.enter().size();z&&(a(t,S,L),s(t));var I=0,P=r.width,C=0,R=r.height;a(t,S,L),b.height>R?l(t):s(t);var D=r._size,O=D.l+D.w*b.x,F=D.t+D.h*(1-b.y);x.isRightAnchor(b)?O-=b.width:x.isCenterAnchor(b)&&(O-=b.width/2),x.isBottomAnchor(b)?F-=b.height:x.isMiddleAnchor(b)&&(F-=b.height/2);var j=b.width,N=D.w;j>N?(O=D.l,j=N):(O+j>P&&(O=P-j),I>O&&(O=I),j=Math.min(P-O,b.width));var B=b.height,U=D.h;B>U?(F=D.t,B=U):(F+B>R&&(F=R-B),C>F&&(F=C),B=Math.min(R-F,b.height)),h.setTranslate(M,O,F);var V,q,G=B-m.scrollBarHeight-2*m.scrollBarMargin,H=b.height-B;if(b.height<=B||t._context.staticPlot)A.attr({width:j-b.borderwidth,height:B-b.borderwidth,x:b.borderwidth/2,y:b.borderwidth/2}),h.setTranslate(T,0,0),k.select(\"rect\").attr({width:j-2*b.borderwidth,height:B-2*b.borderwidth,x:b.borderwidth,y:b.borderwidth}),T.call(p.setClipUrl,o);else{V=m.scrollBarMargin,q=T.attr(\"data-scroll\")||0,A.attr({width:j-2*b.borderwidth+m.scrollBarWidth+m.scrollBarMargin,height:B-b.borderwidth,x:b.borderwidth/2,y:b.borderwidth/2}),k.select(\"rect\").attr({width:j-2*b.borderwidth+m.scrollBarWidth+m.scrollBarMargin,height:B-2*b.borderwidth,x:b.borderwidth,y:b.borderwidth-q}),T.call(p.setClipUrl,o),z&&e(V,q),M.on(\"wheel\",null),M.on(\"wheel\",function(){q=h.constrain(T.attr(\"data-scroll\")-u.event.deltaY/G*H,-H,0),V=m.scrollBarMargin-q/H*G,e(V,q),u.event.preventDefault()}),E.on(\".drag\",null),T.on(\".drag\",null);var X=u.behavior.drag().on(\"drag\",function(){V=h.constrain(u.event.y-m.scrollBarHeight/2,m.scrollBarMargin,m.scrollBarMargin+G),q=-(V-m.scrollBarMargin)/G*H,e(V,q)});E.call(X),T.call(X)}if(t._context.editable){var Y,W,Z,K;M.classed(\"cursor-move\",!0),d.init({element:M.node(),prepFn:function(){var t=h.getTranslate(M);Z=t.x,K=t.y},moveFn:function(t,e){var r=Z+t,n=K+e;h.setTranslate(M,r,n),Y=d.align(r,0,D.l,D.l+D.w,b.xanchor),W=d.align(n,0,D.t+D.h,D.t,b.yanchor)},doneFn:function(e){e&&void 0!==Y&&void 0!==W&&c.relayout(t,{\"legend.x\":Y,\"legend.y\":W})}})}}}},{\"../../lib\":568,\"../../plotly\":589,\"../../plots/plots\":648,\"../color\":483,\"../dragelement\":504,\"../drawing\":506,\"./anchor_utils\":519,\"./constants\":521,\"./get_legend_data\":524,\"./helpers\":525,\"./style\":527,d3:119}],524:[function(t,e,r){\"use strict\";var n=t(\"../../plots/plots\"),i=t(\"./helpers\");e.exports=function(t,e){function r(t,r){if(\"\"!==t&&i.isGrouped(e))-1===l.indexOf(t)?(l.push(t),u=!0,s[t]=[[r]]):s[t].push([r]);else{var n=\"~~i\"+h;l.push(n),s[n]=[[r]],h++}}var o,a,s={},l=[],u=!1,c={},h=0;for(o=0;o<t.length;o++){var f=t[o],d=f[0],p=d.trace,v=p.legendgroup;if(i.legendGetsTrace(p)&&p.showlegend)if(n.traceIs(p,\"pie\"))for(c[v]||(c[v]={}),a=0;a<f.length;a++){var m=f[a].label;c[v][m]||(r(v,{label:m,color:f[a].color,i:f[a].i,trace:p}),c[v][m]=!0)}else r(v,d)}if(!l.length)return[];var g,y,b=l.length;if(u&&i.isGrouped(e))for(y=new Array(b),o=0;b>o;o++)g=s[l[o]],y[o]=i.isReversed(e)?g.reverse():g;else{for(y=[new Array(b)],o=0;b>o;o++)g=s[l[o]][0],y[0][i.isReversed(e)?b-o-1:o]=g;b=1}return e._lgroupsLength=b,y}},{\"../../plots/plots\":648,\"./helpers\":525}],525:[function(t,e,r){\"use strict\";var n=t(\"../../plots/plots\");r.legendGetsTrace=function(t){return t.visible&&n.traceIs(t,\"showLegend\")},r.isGrouped=function(t){return-1!==(t.traceorder||\"\").indexOf(\"grouped\")},r.isVertical=function(t){return\"h\"!==t.orientation},r.isReversed=function(t){return-1!==(t.traceorder||\"\").indexOf(\"reversed\")}},{\"../../plots/plots\":648}],526:[function(t,e,r){\"use strict\";var n=e.exports={};n.layoutAttributes=t(\"./attributes\"),n.supplyLayoutDefaults=t(\"./defaults\"),n.draw=t(\"./draw\"),n.style=t(\"./style\")},{\"./attributes\":520,\"./defaults\":522,\"./draw\":523,\"./style\":527}],527:[function(t,e,r){\"use strict\";function n(t){var e=t[0].trace,r=e.visible&&e.fill&&\"none\"!==e.fill,n=d.hasLines(e),i=l.select(this).select(\".legendfill\").selectAll(\"path\").data(r?[t]:[]);i.enter().append(\"path\").classed(\"js-fill\",!0),i.exit().remove(),i.attr(\"d\",\"M5,0h30v6h-30z\").call(h.fillGroupStyle);var o=l.select(this).select(\".legendlines\").selectAll(\"path\").data(n?[t]:[]);o.enter().append(\"path\").classed(\"js-line\",!0).attr(\"d\",\"M5,0h30\"),o.exit().remove(),o.call(h.lineGroupStyle)}function i(t){function e(t,e,r){var n=u.nestedProperty(a,t).get(),i=Array.isArray(n)&&e?e(n):n;if(r){if(i<r[0])return r[0];if(i>r[1])return r[1]}return i}function r(t){return t[0]}var n,i,o=t[0],a=o.trace,s=d.hasMarkers(a),c=d.hasText(a),f=d.hasLines(a);if(s||c||f){var p={},v={};s&&(p.mc=e(\"marker.color\",r),p.mo=e(\"marker.opacity\",u.mean,[.2,1]),p.ms=e(\"marker.size\",u.mean,[2,16]),p.mlc=e(\"marker.line.color\",r),p.mlw=e(\"marker.line.width\",u.mean,[0,5]),v.marker={sizeref:1,sizemin:1,sizemode:\"diameter\"}),f&&(v.line={width:e(\"line.width\",r,[0,10])}),c&&(p.tx=\"Aa\",p.tp=e(\"textposition\",r),p.ts=10,p.tc=e(\"textfont.color\",r),p.tf=e(\"textfont.family\",r)),n=[u.minExtend(o,p)],i=u.minExtend(a,v)}var m=l.select(this).select(\"g.legendpoints\"),g=m.selectAll(\"path.scatterpts\").data(s?n:[]);g.enter().append(\"path\").classed(\"scatterpts\",!0).attr(\"transform\",\"translate(20,0)\"),g.exit().remove(),g.call(h.pointStyle,i),s&&(n[0].mrc=3);var y=m.selectAll(\"g.pointtext\").data(c?n:[]);y.enter().append(\"g\").classed(\"pointtext\",!0).append(\"text\").attr(\"transform\",\"translate(20,0)\"),y.exit().remove(),y.selectAll(\"text\").call(h.textPointStyle,i)}function o(t){var e=t[0].trace,r=e.marker||{},n=r.line||{},i=l.select(this).select(\"g.legendpoints\").selectAll(\"path.legendbar\").data(c.traceIs(e,\"bar\")?[t]:[]);i.enter().append(\"path\").classed(\"legendbar\",!0).attr(\"d\",\"M6,6H-6V-6H6Z\").attr(\"transform\",\"translate(20,0)\"),i.exit().remove(),i.each(function(t){var e=(t.mlw+1||n.width+1)-1,i=l.select(this);i.style(\"stroke-width\",e+\"px\").call(f.fill,t.mc||r.color),e&&i.call(f.stroke,t.mlc||n.color)})}function a(t){var e=t[0].trace,r=l.select(this).select(\"g.legendpoints\").selectAll(\"path.legendbox\").data(c.traceIs(e,\"box\")&&e.visible?[t]:[]);r.enter().append(\"path\").classed(\"legendbox\",!0).attr(\"d\",\"M6,6H-6V-6H6Z\").attr(\"transform\",\"translate(20,0)\"),r.exit().remove(),r.each(function(t){var r=(t.lw+1||e.line.width+1)-1,n=l.select(this);n.style(\"stroke-width\",r+\"px\").call(f.fill,t.fc||e.fillcolor),r&&n.call(f.stroke,t.lc||e.line.color)})}function s(t){var e=t[0].trace,r=l.select(this).select(\"g.legendpoints\").selectAll(\"path.legendpie\").data(c.traceIs(e,\"pie\")&&e.visible?[t]:[]);r.enter().append(\"path\").classed(\"legendpie\",!0).attr(\"d\",\"M6,6H-6V-6H6Z\").attr(\"transform\",\"translate(20,0)\"),r.exit().remove(),r.size()&&r.call(p,t[0],e)}var l=t(\"d3\"),u=t(\"../../lib\"),c=t(\"../../plots/plots\"),h=t(\"../drawing\"),f=t(\"../color\"),d=t(\"../../traces/scatter/subtypes\"),p=t(\"../../traces/pie/style_one\");e.exports=function(t){t.each(function(t){var e=l.select(this),r=e.selectAll(\"g.legendfill\").data([t]);r.enter().append(\"g\").classed(\"legendfill\",!0);var n=e.selectAll(\"g.legendlines\").data([t]);n.enter().append(\"g\").classed(\"legendlines\",!0);var i=e.selectAll(\"g.legendsymbols\").data([t]);i.enter().append(\"g\").classed(\"legendsymbols\",!0),i.style(\"opacity\",t[0].trace.opacity),i.selectAll(\"g.legendpoints\").data([t]).enter().append(\"g\").classed(\"legendpoints\",!0)}).each(o).each(a).each(s).each(n).each(i)}},{\"../../lib\":568,\"../../plots/plots\":648,\"../../traces/pie/style_one\":748,\"../../traces/scatter/subtypes\":769,\"../color\":483,\"../drawing\":506,d3:119}],528:[function(t,e,r){\"use strict\";function n(t,e){var r=e.currentTarget,n=r.getAttribute(\"data-attr\"),i=r.getAttribute(\"data-val\")||!0,o=t._fullLayout,a={};if(\"zoom\"===n){for(var s,l,c=\"in\"===i?.5:2,h=(1+c)/2,f=(1-c)/2,d=u.Axes.list(t,null,!0),p=0;p<d.length;p++)if(s=d[p],!s.fixedrange)if(l=s._name,\"auto\"===i)a[l+\".autorange\"]=!0;else if(\"reset\"===i)if(void 0===s._rangeInitial)a[l+\".autorange\"]=!0;else{var v=s._rangeInitial.slice();a[l+\".range[0]\"]=v[0],a[l+\".range[1]\"]=v[1]}else{var m=s.range;a[l+\".range[0]\"]=h*m[0]+f*m[1],a[l+\".range[1]\"]=h*m[1]+f*m[0]}}else\"hovermode\"!==n||\"x\"!==i&&\"y\"!==i||(i=o._isHoriz?\"y\":\"x\",r.setAttribute(\"data-val\",i)),a[n]=i;u.relayout(t,a)}function i(t,e){for(var r=e.currentTarget,n=r.getAttribute(\"data-attr\"),i=r.getAttribute(\"data-val\")||!0,o=t._fullLayout,a=u.Plots.getSubplotIds(o,\"gl3d\"),s={},l=n.split(\".\"),c=0;c<a.length;c++)s[a[c]+\".\"+l[1]]=i;u.relayout(t,s)}function o(t,e){for(var r=e.currentTarget,n=r.getAttribute(\"data-attr\"),i=t._fullLayout,o=u.Plots.getSubplotIds(i,\"gl3d\"),a=0;a<o.length;a++){var s=o[a],l=i[s],c=l._scene;\"resetDefault\"===n?c.setCameraToDefault():\"resetLastSave\"===n&&c.setCamera(l.camera)}}function a(t,e){var r=e.currentTarget,n=r._previousVal||!1,i=t.layout,o=t._fullLayout,a=u.Plots.getSubplotIds(o,\"gl3d\"),s=[\"xaxis\",\"yaxis\",\"zaxis\"],l=[\"showspikes\",\"spikesides\",\"spikethickness\",\"spikecolor\"],h={},f={},d={};if(n)d=c.extendDeep(i,n),r._previousVal=null;else{d={\"allaxes.showspikes\":!1};for(var p=0;p<a.length;p++){var v=a[p],m=o[v],g=h[v]={};g.hovermode=m.hovermode,d[v+\".hovermode\"]=!1;for(var y=0;3>y;y++){var b=s[y];f=g[b]={};for(var x=0;x<l.length;x++){var _=l[x];f[_]=m[b][_]}}}r._previousVal=c.extendDeep({},h)}u.relayout(t,d)}function s(t,e){for(var r=e.currentTarget,n=r.getAttribute(\"data-attr\"),i=r.getAttribute(\"data-val\")||!0,o=t._fullLayout,a=u.Plots.getSubplotIds(o,\"geo\"),s=0;s<a.length;s++){var l=o[a[s]]._geo;if(\"zoom\"===n){var c=l.projection.scale(),h=\"in\"===i?2*c:.5*c;l.projection.scale(h),l.zoom.scale(h),l.render()}else\"reset\"===n&&l.zoomReset()}}function l(t){var e,r=t._fullLayout;e=r._has(\"cartesian\")?r._isHoriz?\"y\":\"x\":\"closest\";var n=t._fullLayout.hovermode?!1:e;u.relayout(t,\"hovermode\",n)}var u=t(\"../../plotly\"),c=t(\"../../lib\"),h=t(\"../../snapshot/download\"),f=t(\"../../../build/ploticon\"),d=e.exports={};d.toImage={name:\"toImage\",title:\"Download plot as a png\",icon:f.camera,click:function(t){var e=\"png\";c.notifier(\"Taking snapshot - this may take a few seconds\",\"long\"),c.isIE()&&(c.notifier(\"IE only supports svg.  Changing format to svg.\",\"long\"),e=\"svg\"),h(t,{format:e}).then(function(t){c.notifier(\"Snapshot succeeded - \"+t,\"long\")}).catch(function(){c.notifier(\"Sorry there was a problem downloading your snapshot!\",\"long\")})}},d.sendDataToCloud={name:\"sendDataToCloud\",title:\"Save and edit plot in cloud\",icon:f.disk,click:function(t){u.Plots.sendDataToCloud(t)}},d.zoom2d={name:\"zoom2d\",title:\"Zoom\",attr:\"dragmode\",val:\"zoom\",icon:f.zoombox,click:n},d.pan2d={name:\"pan2d\",title:\"Pan\",attr:\"dragmode\",val:\"pan\",icon:f.pan,click:n},d.select2d={name:\"select2d\",title:\"Box Select\",attr:\"dragmode\",val:\"select\",icon:f.selectbox,click:n},d.lasso2d={name:\"lasso2d\",title:\"Lasso Select\",attr:\"dragmode\",val:\"lasso\",icon:f.lasso,click:n},d.zoomIn2d={name:\"zoomIn2d\",title:\"Zoom in\",attr:\"zoom\",val:\"in\",icon:f.zoom_plus,click:n},d.zoomOut2d={name:\"zoomOut2d\",title:\"Zoom out\",attr:\"zoom\",val:\"out\",icon:f.zoom_minus,click:n},d.autoScale2d={name:\"autoScale2d\",title:\"Autoscale\",attr:\"zoom\",val:\"auto\",icon:f.autoscale,click:n},d.resetScale2d={name:\"resetScale2d\",title:\"Reset axes\",attr:\"zoom\",val:\"reset\",icon:f.home,click:n},d.hoverClosestCartesian={name:\"hoverClosestCartesian\",title:\"Show closest data on hover\",attr:\"hovermode\",val:\"closest\",icon:f.tooltip_basic,gravity:\"ne\",click:n},d.hoverCompareCartesian={name:\"hoverCompareCartesian\",title:\"Compare data on hover\",attr:\"hovermode\",val:function(t){return t._fullLayout._isHoriz?\"y\":\"x\"},icon:f.tooltip_compare,gravity:\"ne\",click:n},d.zoom3d={name:\"zoom3d\",title:\"Zoom\",attr:\"scene.dragmode\",val:\"zoom\",icon:f.zoombox,click:i},d.pan3d={name:\"pan3d\",title:\"Pan\",attr:\"scene.dragmode\",val:\"pan\",icon:f.pan,click:i},d.orbitRotation={name:\"orbitRotation\",title:\"orbital rotation\",attr:\"scene.dragmode\",val:\"orbit\",icon:f[\"3d_rotate\"],click:i},d.tableRotation={name:\"tableRotation\",title:\"turntable rotation\",attr:\"scene.dragmode\",val:\"turntable\",icon:f[\"z-axis\"],click:i},d.resetCameraDefault3d={name:\"resetCameraDefault3d\",title:\"Reset camera to default\",attr:\"resetDefault\",icon:f.home,click:o},d.resetCameraLastSave3d={name:\"resetCameraLastSave3d\",title:\"Reset camera to last save\",attr:\"resetLastSave\",icon:f.movie,click:o},d.hoverClosest3d={name:\"hoverClosest3d\",title:\"Toggle show closest data on hover\",attr:\"hovermode\",val:null,toggle:!0,icon:f.tooltip_basic,gravity:\"ne\",click:a},d.zoomInGeo={name:\"zoomInGeo\",title:\"Zoom in\",attr:\"zoom\",val:\"in\",icon:f.zoom_plus,click:s},d.zoomOutGeo={name:\"zoomOutGeo\",title:\"Zoom out\",attr:\"zoom\",val:\"out\",icon:f.zoom_minus,click:s},d.resetGeo={name:\"resetGeo\",title:\"Reset\",attr:\"reset\",val:null,icon:f.autoscale,click:s},d.hoverClosestGeo={name:\"hoverClosestGeo\",title:\"Toggle show closest data on hover\",attr:\"hovermode\",val:null,toggle:!0,icon:f.tooltip_basic,gravity:\"ne\",click:l},d.hoverClosestGl2d={name:\"hoverClosestGl2d\",title:\"Toggle show closest data on hover\",attr:\"hovermode\",val:null,toggle:!0,icon:f.tooltip_basic,gravity:\"ne\",click:l},d.hoverClosestPie={name:\"hoverClosestPie\",title:\"Toggle show closest data on hover\",attr:\"hovermode\",val:\"closest\",icon:f.tooltip_basic,gravity:\"ne\",click:l},d.toggleHover={name:\"toggleHover\",title:\"Toggle show closest data on hover\",attr:\"hovermode\",val:null,toggle:!0,icon:f.tooltip_basic,gravity:\"ne\",click:function(t,e){l(t),a(t,e)}},d.resetViews={name:\"resetViews\",title:\"Reset views\",icon:f.home,click:function(t,e){var r=e.currentTarget;r.setAttribute(\"data-attr\",\"zoom\"),r.setAttribute(\"data-val\",\"reset\"),n(t,e),r.setAttribute(\"data-attr\",\"resetLastSave\"),o(t,e)}}},{\"../../../build/ploticon\":2,\"../../lib\":568,\"../../plotly\":589,\"../../snapshot/download\":663}],529:[function(t,e,r){\"use strict\";function n(t){this.container=t.container,this.element=document.createElement(\"div\"),this.update(t.graphInfo,t.buttons),this.container.appendChild(this.element)}function i(t,e){var r=t._fullLayout,i=new n({graphInfo:t,container:r._paperdiv.node(),buttons:e});return r._privateplot&&o.select(i.element).append(\"span\").classed(\"badge-private float--left\",!0).text(\"PRIVATE\"),i}var o=t(\"d3\"),a=t(\"../../lib\"),s=t(\"../../../build/ploticon\"),l=n.prototype;l.update=function(t,e){this.graphInfo=t;var r=this.graphInfo._context;\"hover\"===r.displayModeBar?this.element.className=\"modebar modebar--hover\":this.element.className=\"modebar\";var n=!this.hasButtons(e),i=this.hasLogo!==r.displaylogo;(n||i)&&(this.removeAllButtons(),this.updateButtons(e),r.displaylogo&&(this.element.appendChild(this.getLogo()),this.hasLogo=!0)),this.updateActiveButton()},l.updateButtons=function(t){var e=this;this.buttons=t,this.buttonElements=[],this.buttonsNames=[],this.buttons.forEach(function(t){var r=e.createGroup();t.forEach(function(t){var n=t.name;if(!n)throw new Error(\"must provide button 'name' in button config\");if(-1!==e.buttonsNames.indexOf(n))throw new Error(\"button name '\"+n+\"' is taken\");e.buttonsNames.push(n);var i=e.createButton(t);e.buttonElements.push(i),r.appendChild(i)}),e.element.appendChild(r)})},l.createGroup=function(){var t=document.createElement(\"div\");return t.className=\"modebar-group\",t},l.createButton=function(t){var e=this,r=document.createElement(\"a\");r.setAttribute(\"rel\",\"tooltip\"),r.className=\"modebar-btn\";var n=t.title;void 0===n&&(n=t.name),(n||0===n)&&r.setAttribute(\"data-title\",n),void 0!==t.attr&&r.setAttribute(\"data-attr\",t.attr);var i=t.val;void 0!==i&&(\"function\"==typeof i&&(i=i(this.graphInfo)),r.setAttribute(\"data-val\",i));var o=t.click;if(\"function\"!=typeof o)throw new Error(\"must provide button 'click' function in button config\");return r.addEventListener(\"click\",function(r){t.click(e.graphInfo,r),e.updateActiveButton(r.currentTarget)}),r.setAttribute(\"data-toggle\",t.toggle||!1),t.toggle&&r.classList.add(\"active\"),r.appendChild(this.createIcon(t.icon||s.question)),r.setAttribute(\"data-gravity\",t.gravity||\"n\"),r},l.createIcon=function(t){var e=t.ascent-t.descent,r=\"http://www.w3.org/2000/svg\",n=document.createElementNS(r,\"svg\"),i=document.createElementNS(r,\"path\");return n.setAttribute(\"height\",\"1em\"),n.setAttribute(\"width\",t.width/e+\"em\"),n.setAttribute(\"viewBox\",[0,0,t.width,e].join(\" \")),i.setAttribute(\"d\",t.path),i.setAttribute(\"transform\",\"matrix(1 0 0 -1 0 \"+t.ascent+\")\"),n.appendChild(i),n},l.updateActiveButton=function(t){var e=this.graphInfo._fullLayout,r=void 0!==t?t.getAttribute(\"data-attr\"):null;this.buttonElements.forEach(function(t){var n=t.getAttribute(\"data-val\")||!0,i=t.getAttribute(\"data-attr\"),s=\"true\"===t.getAttribute(\"data-toggle\"),l=o.select(t);if(s)i===r&&l.classed(\"active\",!l.classed(\"active\"));else{var u=null===i?i:a.nestedProperty(e,i).get();l.classed(\"active\",u===n)}})},l.hasButtons=function(t){var e=this.buttons;if(!e)return!1;if(t.length!==e.length)return!1;for(var r=0;r<t.length;++r){if(t[r].length!==e[r].length)return!1;for(var n=0;n<t[r].length;n++)if(t[r][n].name!==e[r][n].name)return!1}return!0},l.getLogo=function(){var t=this.createGroup(),e=document.createElement(\"a\");return e.href=\"https://plot.ly/\",e.target=\"_blank\",e.setAttribute(\"data-title\",\"Produced with Plotly\"),e.className=\"modebar-btn plotlyjsicon modebar-btn--logo\",e.appendChild(this.createIcon(s.plotlylogo)),t.appendChild(e),t},l.removeAllButtons=function(){for(;this.element.firstChild;)this.element.removeChild(this.element.firstChild);this.hasLogo=!1},l.destroy=function(){a.removeElement(this.container.querySelector(\".modebar\"))},e.exports=i},{\"../../../build/ploticon\":2,\"../../lib\":568,d3:119}],530:[function(t,e,r){\"use strict\";function n(t,e,r){function n(t){for(var r=[],n=0;n<t.length;n++){var i=t[n];-1===e.indexOf(i)&&r.push(h[i])}m.push(r)}var s=t._fullLayout,l=t._fullData,u=s._has(\"cartesian\"),c=s._has(\"gl3d\"),f=s._has(\"geo\"),d=s._has(\"pie\"),p=s._has(\"gl2d\"),v=s._has(\"ternary\"),m=[];if(n([\"toImage\",\"sendDataToCloud\"]),(u||p||d||v)+f+c>1)return n([\"resetViews\",\"toggleHover\"]),a(m,r);c&&(n([\"zoom3d\",\"pan3d\",\"orbitRotation\",\"tableRotation\"]),n([\"resetCameraDefault3d\",\"resetCameraLastSave3d\"]),n([\"hoverClosest3d\"])),f&&(n([\"zoomInGeo\",\"zoomOutGeo\",\"resetGeo\"]),n([\"hoverClosestGeo\"]));var g=i(s),y=[];return((u||p)&&!g||v)&&(y=[\"zoom2d\",\"pan2d\"]),(u||v)&&o(l)&&(y.push(\"select2d\"),y.push(\"lasso2d\")),y.length&&n(y),!u&&!p||g||v||n([\"zoomIn2d\",\"zoomOut2d\",\"autoScale2d\",\"resetScale2d\"]),u&&d?n([\"toggleHover\"]):p?n([\"hoverClosestGl2d\"]):u?n([\"hoverClosestCartesian\",\"hoverCompareCartesian\"]):d&&n([\"hoverClosestPie\"]),a(m,r)}function i(t){for(var e=l.Axes.list({_fullLayout:t},null,!0),r=!0,n=0;n<e.length;n++)if(!e[n].fixedrange){r=!1;break}return r}function o(t){for(var e=!1,r=0;r<t.length&&!e;r++){var n=t[r];n._module&&n._module.selectPoints&&(\"scatter\"===n.type||\"scatterternary\"===n.type?(u.hasMarkers(n)||u.hasText(n))&&(e=!0):e=!0)}return e}function a(t,e){if(e.length)if(Array.isArray(e[0]))for(var r=0;r<e.length;r++)t.push(e[r]);else t.push(e);return t}function s(t){for(var e=0;e<t.length;e++)for(var r=t[e],n=0;n<r.length;n++){var i=r[n];if(\"string\"==typeof i){if(void 0===h[i])throw new Error([\"*modeBarButtons* configuration options\",\"invalid button name\"].join(\" \"));t[e][n]=h[i]}}return t}var l=t(\"../../plotly\"),u=t(\"../../traces/scatter/subtypes\"),c=t(\"./\"),h=t(\"./buttons\");e.exports=function(t){var e=t._fullLayout,r=t._context,i=e._modeBar;if(!r.displayModeBar)return void(i&&(i.destroy(),delete e._modeBar));if(!Array.isArray(r.modeBarButtonsToRemove))throw new Error([\"*modeBarButtonsToRemove* configuration options\",\"must be an array.\"].join(\" \"));if(!Array.isArray(r.modeBarButtonsToAdd))throw new Error([\"*modeBarButtonsToAdd* configuration options\",\"must be an array.\"].join(\" \"));var o,a=r.modeBarButtons;o=Array.isArray(a)&&a.length?s(a):n(t,r.modeBarButtonsToRemove,r.modeBarButtonsToAdd),i?i.update(t,o):e._modeBar=c(t,o)}},{\"../../plotly\":589,\"../../traces/scatter/subtypes\":769,\"./\":529,\"./buttons\":528}],531:[function(t,e,r){\"use strict\";var n=t(\"../../plots/font_attributes\"),i=t(\"../color/attributes\"),o=t(\"../../lib/extend\").extendFlat,a=t(\"./button_attributes\");a=o(a,{_isLinkedToArray:!0}),e.exports={visible:{valType:\"boolean\"},buttons:a,x:{valType:\"number\",min:-2,max:3},xanchor:{valType:\"enumerated\",values:[\"auto\",\"left\",\"center\",\"right\"],dflt:\"left\"},y:{valType:\"number\",min:-2,max:3},yanchor:{valType:\"enumerated\",values:[\"auto\",\"top\",\"middle\",\"bottom\"],dflt:\"bottom\"},font:o({},n,{}),bgcolor:{valType:\"color\",dflt:i.lightLine},activecolor:{valType:\"color\"},bordercolor:{valType:\"color\",dflt:i.defaultLine},borderwidth:{valType:\"number\",min:0,dflt:0}}},{\"../../lib/extend\":563,\"../../plots/font_attributes\":610,\"../color/attributes\":482,\"./button_attributes\":532}],532:[function(t,e,r){\"use strict\";e.exports={step:{valType:\"enumerated\",values:[\"month\",\"year\",\"day\",\"hour\",\"minute\",\"second\",\"all\"],dflt:\"month\"},stepmode:{valType:\"enumerated\",values:[\"backward\",\"todate\"],dflt:\"backward\"},count:{valType:\"number\",min:0,dflt:1},label:{valType:\"string\"}}},{}],533:[function(t,e,r){\"use strict\";e.exports={yPad:.02,minButtonWidth:30,rx:3,ry:3,lightAmount:25,darkAmount:10}},{}],534:[function(t,e,r){\"use strict\";function n(t,e){function r(t,e){return o.coerce(n,i,l,t,e)}for(var n,i,a=t.buttons||[],s=e.buttons=[],u=0;u<a.length;u++)if(n=a[u],i={},o.isPlainObject(n)){var c=r(\"step\");\"all\"!==c&&(r(\"stepmode\"),r(\"count\")),r(\"label\"),i._index=u,s.push(i)}return s}function i(t,e,r){for(var n=r.filter(function(r){return e[r].anchor===t._id}),i=0,o=0;o<n.length;o++)i=Math.max(e[n[o]].domain[1],i);return[t.domain[0],i+u.yPad]}var o=t(\"../../lib\"),a=t(\"../color\"),s=t(\"./attributes\"),l=t(\"./button_attributes\"),u=t(\"./constants\");e.exports=function(t,e,r,l){function c(t,e){return o.coerce(h,f,s,t,e)}var h=t.rangeselector||{},f=e.rangeselector={},d=n(h,f),p=c(\"visible\",d.length>0);if(p){var v=i(e,r,l);c(\"x\",v[0]),c(\"y\",v[1]),o.noneOrAll(t,e,[\"x\",\"y\"]),c(\"xanchor\"),c(\"yanchor\"),o.coerceFont(c,\"font\",r.font);var m=c(\"bgcolor\");c(\"activecolor\",a.contrast(m,u.lightAmount,u.darkAmount)),c(\"bordercolor\"),c(\"borderwidth\")}}},{\"../../lib\":568,\"../color\":483,\"./attributes\":531,\"./button_attributes\":532,\"./constants\":533}],535:[function(t,e,r){\"use strict\";function n(t){for(var e=g.list(t,\"x\",!0),r=[],n=0;n<e.length;n++){var i=e[n];i.rangeselector&&i.rangeselector.visible&&r.push(i)}return r}function i(t){return t._id}function o(t,e,r){if(\"all\"===e.step)return t.autorange===!0;var n=Object.keys(r);return t.range[0]===r[n[0]]&&t.range[1]===r[n[1]]}function a(t,e,r){var n=t.selectAll(\"rect\").data([0]);n.enter().append(\"rect\").classed(\"selector-rect\",!0),n.attr(\"shape-rendering\",\"crispEdges\"),n.attr({rx:b.rx,ry:b.ry}),n.call(p.stroke,e.bordercolor).call(p.fill,s(e,r)).style(\"stroke-width\",e.borderwidth+\"px\")}function s(t,e){return e.isActive||e.isHovered?t.activecolor:t.bgcolor}function l(t,e,r){function n(t){m.convertToTspans(t)}var i=t.selectAll(\"text\").data([0]);i.enter().append(\"text\").classed(\"selector-text\",!0).classed(\"user-select-none\",!0),i.attr(\"text-anchor\",\"middle\"),i.call(v.font,e.font).text(u(r)).call(n)}function u(t){return t.label?t.label:\"all\"===t.step?\"all\":t.count+t.step.charAt(0)}function c(t,e,r,n){r.width=0,r.height=0;var i=r.borderwidth;e.each(function(){var t=h.select(this),e=t.select(\".selector-text\"),n=e.selectAll(\"tspan\"),i=1.3*r.font.size,o=n[0].length||1,a=Math.max(i*o,16)+3;r.height=Math.max(r.height,a)}),e.each(function(){var t=h.select(this),e=t.select(\".selector-rect\"),n=t.select(\".selector-text\"),o=n.selectAll(\"tspan\"),a=n.node()&&v.bBox(n.node()).width,s=1.3*r.font.size,l=o[0].length||1,u=Math.max(a+10,b.minButtonWidth);\nt.attr(\"transform\",\"translate(\"+(i+r.width)+\",\"+i+\")\"),e.attr({x:0,y:0,width:u,height:r.height});var c={x:u/2,y:r.height/2-(l-1)*s/2+3};n.attr(c),o.attr(c),r.width+=u+5}),e.selectAll(\"rect\").attr(\"height\",r.height);var o=t._fullLayout._size;r.lx=o.l+o.w*r.x,r.ly=o.t+o.h*(1-r.y);var a=\"left\";y.isRightAnchor(r)&&(r.lx-=r.width,a=\"right\"),y.isCenterAnchor(r)&&(r.lx-=r.width/2,a=\"center\");var s=\"top\";y.isBottomAnchor(r)&&(r.ly-=r.height,s=\"bottom\"),y.isMiddleAnchor(r)&&(r.ly-=r.height/2,s=\"middle\"),r.width=Math.ceil(r.width),r.height=Math.ceil(r.height),r.lx=Math.round(r.lx),r.ly=Math.round(r.ly),d.autoMargin(t,n+\"-range-selector\",{x:r.x,y:r.y,l:r.width*({right:1,center:.5}[a]||0),r:r.width*({left:1,center:.5}[a]||0),b:r.height*({top:1,middle:.5}[s]||0),t:r.height*({bottom:1,middle:.5}[s]||0)})}var h=t(\"d3\"),f=t(\"../../plotly\"),d=t(\"../../plots/plots\"),p=t(\"../color\"),v=t(\"../drawing\"),m=t(\"../../lib/svg_text_utils\"),g=t(\"../../plots/cartesian/axis_ids\"),y=t(\"../legend/anchor_utils\"),b=t(\"./constants\"),x=t(\"./get_update_object\");e.exports=function(t){var e=t._fullLayout,r=e._infolayer.selectAll(\".rangeselector\").data(n(t),i);r.enter().append(\"g\").classed(\"rangeselector\",!0),r.exit().remove(),r.style({cursor:\"pointer\",\"pointer-events\":\"all\"}),r.each(function(e){var r=h.select(this),n=e,i=n.rangeselector,s=r.selectAll(\"g.button\").data(i.buttons);s.enter().append(\"g\").classed(\"button\",!0),s.exit().remove(),s.each(function(e){var r=h.select(this),s=x(n,e);e.isActive=o(n,e,s),r.call(a,i,e),r.call(l,i,e),r.on(\"click\",function(){t._dragged||f.relayout(t,s)}),r.on(\"mouseover\",function(){e.isHovered=!0,r.call(a,i,e)}),r.on(\"mouseout\",function(){e.isHovered=!1,r.call(a,i,e)})}),c(t,s,i,n._name),r.attr(\"transform\",\"translate(\"+i.lx+\",\"+i.ly+\")\")})}},{\"../../lib/svg_text_utils\":581,\"../../plotly\":589,\"../../plots/cartesian/axis_ids\":594,\"../../plots/plots\":648,\"../color\":483,\"../drawing\":506,\"../legend/anchor_utils\":519,\"./constants\":533,\"./get_update_object\":536,d3:119}],536:[function(t,e,r){\"use strict\";function n(t,e){var r,n=t.range,o=new Date(n[1]),a=e.step,s=e.count;switch(e.stepmode){case\"backward\":r=i.time[a].offset(o,-s).getTime();break;case\"todate\":var l=i.time[a].offset(o,-(s-1));r=i.time[a].floor(l).getTime()}var u=n[1];return[r,u]}var i=t(\"d3\");e.exports=function(t,e){var r=t._name,i={};if(\"all\"===e.step)i[r+\".autorange\"]=!0;else{var o=n(t,e);i[r+\".range[0]\"]=o[0],i[r+\".range[1]\"]=o[1]}return i}},{d3:119}],537:[function(t,e,r){\"use strict\";r.attributes=t(\"./attributes\"),r.supplyLayoutDefaults=t(\"./defaults\"),r.draw=t(\"./draw\")},{\"./attributes\":531,\"./defaults\":534,\"./draw\":535}],538:[function(t,e,r){\"use strict\";var n=t(\"../color/attributes\");e.exports={bgcolor:{valType:\"color\",dflt:n.background},bordercolor:{valType:\"color\",dflt:n.defaultLine},borderwidth:{valType:\"integer\",dflt:0,min:0},range:{valType:\"info_array\",items:[{valType:\"number\"},{valType:\"number\"}]},thickness:{valType:\"number\",dflt:.15,min:0,max:1},visible:{valType:\"boolean\",dflt:!0}}},{\"../color/attributes\":482}],539:[function(t,e,r){\"use strict\";var n=t(\"../../plotly\"),i=t(\"../../plots/cartesian/axes\"),o=t(\"../../lib\"),a=t(\"../../constants/xmlns_namespaces\").svg,s=t(\"./helpers\"),l=t(\"./range_plot\");e.exports=function(t){function e(t){var e=d.range[0],r=d.range[1],n=r-e,i=t/p*n+e;return i=o.constrain(i,e,r)}function r(t,e){t=t||-(1/0),e=e||1/0;var r=d.range[0],n=d.range[1],i=n-r,o=(t-r)/i*p,a=(e-r)/i*p;c(o,a)}function u(e,r){window.requestAnimationFrame?window.requestAnimationFrame(function(){n.relayout(t,\"xaxis.range\",[e,r])}):setTimeout(function(){n.relayout(t,\"xaxis.range\",[e,r])},16)}function c(t,e){if(t=o.constrain(t,0,p),e=o.constrain(e,0,p),t>e){var r=e;e=t,t=r}s.setAttributes(w,{\"data-min\":t,\"data-max\":e}),s.setAttributes(C,{x:t,width:e-t}),s.setAttributes(A,{width:t}),s.setAttributes(T,{x:e,width:p-e}),s.setAttributes(E,{transform:\"translate(\"+(t-m-1)+\")\"}),s.setAttributes(z,{transform:\"translate(\"+e+\")\"})}var h=t._fullLayout,f=h._infolayer.selectAll(\"g.range-slider\"),d=h.xaxis.rangeslider,p=h._size.w,v=(h.height-h.margin.b-h.margin.t)*d.thickness,m=2,g=Math.floor(d.borderwidth/2),y=h.margin.l,b=h.height-v-h.margin.b,x=0,_=p,w=document.createElementNS(a,\"g\");s.setAttributes(w,{\"class\":\"range-slider\",\"data-min\":x,\"data-max\":_,\"pointer-events\":\"all\",transform:\"translate(\"+y+\",\"+b+\")\"});var M=document.createElementNS(a,\"rect\"),k=d.borderwidth%2===0?d.borderwidth:d.borderwidth-1;s.setAttributes(M,{fill:d.bgcolor,stroke:d.bordercolor,\"stroke-width\":d.borderwidth,height:v+k,width:p+k,transform:\"translate(-\"+g+\", -\"+g+\")\",\"shape-rendering\":\"crispEdges\"});var A=document.createElementNS(a,\"rect\");s.setAttributes(A,{x:0,width:x,height:v,fill:\"rgba(0,0,0,0.4)\"});var T=document.createElementNS(a,\"rect\");s.setAttributes(T,{x:_,width:p-_,height:v,fill:\"rgba(0,0,0,0.4)\"});var E=document.createElementNS(a,\"g\"),S=document.createElementNS(a,\"rect\"),L=document.createElementNS(a,\"rect\");s.setAttributes(E,{transform:\"translate(\"+(x-m-1)+\")\"}),s.setAttributes(S,{width:10,height:v,x:-6,fill:\"transparent\",cursor:\"col-resize\"}),s.setAttributes(L,{width:m,height:v/2,y:v/4,rx:1,fill:\"white\",stroke:\"#666\",\"shape-rendering\":\"crispEdges\"}),s.appendChildren(E,[L,S]);var z=document.createElementNS(a,\"g\"),I=document.createElementNS(a,\"rect\"),P=document.createElementNS(a,\"rect\");s.setAttributes(z,{transform:\"translate(\"+_+\")\"}),s.setAttributes(I,{width:10,height:v,x:-2,fill:\"transparent\",cursor:\"col-resize\"}),s.setAttributes(P,{width:m,height:v/2,y:v/4,rx:1,fill:\"white\",stroke:\"#666\",\"shape-rendering\":\"crispEdges\"}),s.appendChildren(z,[P,I]);var C=document.createElementNS(a,\"rect\");s.setAttributes(C,{x:x,width:_-x,height:v,cursor:\"ew-resize\",fill:\"transparent\"}),w.addEventListener(\"mousedown\",function(t){function r(t){var r,n,h=+t.clientX-o;switch(i){case C:w.style.cursor=\"ew-resize\",r=+s+h,n=+l+h,c(r,n),u(e(r),e(n));break;case S:w.style.cursor=\"col-resize\",r=+s+h,n=+l,c(r,n),u(e(r),e(n));break;case I:w.style.cursor=\"col-resize\",r=+s,n=+l+h,c(r,n),u(e(r),e(n));break;default:w.style.cursor=\"ew-resize\",r=a,n=a+h,c(r,n),u(e(r),e(n))}}function n(){window.removeEventListener(\"mousemove\",r),window.removeEventListener(\"mouseup\",n),w.style.cursor=\"auto\"}var i=t.target,o=t.clientX,a=o-w.getBoundingClientRect().left,s=w.getAttribute(\"data-min\"),l=w.getAttribute(\"data-max\");window.addEventListener(\"mousemove\",r),window.addEventListener(\"mouseup\",n)}),d.range||(d.range=i.getAutoRange(h.xaxis));var R=l(t,p,v);s.appendChildren(w,[M,R,A,T,C,E,z]),r(h.xaxis.range[0],h.xaxis.range[1]),f.data([0]).enter().append(function(){return d.setRange=r,w})}},{\"../../constants/xmlns_namespaces\":556,\"../../lib\":568,\"../../plotly\":589,\"../../plots/cartesian/axes\":592,\"./helpers\":541,\"./range_plot\":543}],540:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"./attributes\");e.exports=function(t,e,r,o){function a(t,e){return n.coerce(s,l,i,t,e)}if(t[r].rangeslider){var s=n.isPlainObject(t[r].rangeslider)?t[r].rangeslider:{},l=e[r].rangeslider={};if(a(\"bgcolor\"),a(\"bordercolor\"),a(\"borderwidth\"),a(\"thickness\"),a(\"visible\"),a(\"range\"),l.range&&!e[r].autorange){var u=l.range,c=e[r].range;u[0]=Math.min(u[0],c[0]),u[1]=Math.max(u[1],c[1])}else e[r]._needsExpand=!0;l.visible&&o.forEach(function(t){var r=e[t]||{};r.fixedrange=!0,e[t]=r})}}},{\"../../lib\":568,\"./attributes\":538}],541:[function(t,e,r){\"use strict\";r.setAttributes=function(t,e){for(var r in e)t.setAttribute(r,e[r])},r.appendChildren=function(t,e){for(var r=0;r<e.length;r++)e[r]&&t.appendChild(e[r])}},{}],542:[function(t,e,r){\"use strict\";function n(t){if(t._fullLayout.xaxis){var e=t._fullLayout,r=e._infolayer.selectAll(\"g.range-slider\"),n=e.xaxis.rangeslider;if(!n||!n.visible)return r.data([]).exit().remove(),void i.autoMargin(t,\"range-slider\");var a=(e.height-e.margin.b-e.margin.t)*n.thickness,s=Math.floor(n.borderwidth/2);0!==r[0].length||e._has(\"gl2d\")||o(t);var l=e.xaxis._boundingBox?e.xaxis._boundingBox.height:0;i.autoMargin(t,\"range-slider\",{x:0,y:0,l:0,r:0,t:0,b:a+e.margin.b+l,pad:15+2*s})}}var i=t(\"../../plots/plots\"),o=t(\"./create_slider\"),a=t(\"./defaults\");e.exports={draw:n,supplyLayoutDefaults:a}},{\"../../plots/plots\":648,\"./create_slider\":539,\"./defaults\":540}],543:[function(t,e,r){\"use strict\";function n(t,e){for(var r=e.makeCalcdata(t||[],e._id[0]),n=0;n<r.length;n++)r[n]=e.c2l(r[n]);return r}function i(t,e,r,n){var i,o,h;if(t.line){i=document.createElementNS(c,\"path\");var f=l.smoothopen(e,t.line.smoothing||0);u.setAttributes(i,{d:f,fill:\"none\",stroke:t.line?t.line.color:\"transparent\",\"stroke-width\":t.line.width/2||1,opacity:1})}if(t.marker){o=document.createElementNS(c,\"g\");var d=e.map(function(e,r){var n,i=document.createElementNS(c,\"g\"),o=document.createElementNS(c,\"path\");return n=Array.isArray(t.marker.size)?\"number\"==typeof t.marker.size[r]?Math.max(t.marker.size[r]/(t.marker.sizeref||1)/15,0):0:Math.max(t.marker.size/15,2),u.setAttributes(o,{d:s[t.marker.symbol].f(n),fill:t.marker.color,stroke:t.marker.line.color,\"stroke-width\":t.marker.line.width,opacity:t.marker.opacity}),u.setAttributes(i,{transform:\"translate(\"+e[0]+\",\"+e[1]+\")\"}),i.appendChild(o),i});u.appendChildren(o,d)}if(\"none\"!==t.fill){switch(h=document.createElementNS(c,\"path\"),t.fill){case\"tozeroy\":e.unshift([e[0][0],n]),e.push([e[e.length-1][0],n]);break;case\"tozerox\":e.unshift([0,e[e.length-1][1]]);break;default:a.warn(\"Fill type \"+t.fill+\" not supported for range slider! (yet...)\")}var p=l.smoothopen(e,t.line.smoothing||0);u.setAttributes(h,{d:p,fill:t.fillcolor||\"transparent\"})}return[i,o,h]}var o=t(\"d3\"),a=t(\"../../lib\"),s=t(\"../drawing/symbol_defs\"),l=t(\"../drawing\"),u=t(\"./helpers\"),c=t(\"../../constants/xmlns_namespaces\").svg;e.exports=function h(t,e,r){var s=t._fullLayout,f=t._fullData,d=s.xaxis,p=s.yaxis,v=d.rangeslider.range[0],m=d.rangeslider.range[1],g=p.range[0],y=p.range[1],b=document.createElementNS(c,\"path\");b.setAttribute(\"d\",[\"M0,0\",e+\",0\",e+\",\"+r,\"0,\"+r,\"Z\"].join(\" \"));var x=document.createElementNS(c,\"clipPath\");x.setAttribute(\"id\",\"range-clip-path\"),x.appendChild(b);var _=document.createElementNS(c,\"defs\");_.appendChild(x);var h=document.createElementNS(c,\"g\");o.select(h).call(l.setClipUrl,\"range-clip-path\"),h.appendChild(_);for(var w=[\"scatter\"],M=0;M<f.length;M++){var k=f[M],A=[];if(w.indexOf(k.type)<0)a.warn(\"Trace type \"+k.type+\" not supported for range slider!\");else{for(var T=n(k,d),E=n(k,p),S=0;S<T.length;S++){var L=e*(T[S]-v)/(m-v),z=r*(1-(E[S]-g)/(y-g));isNaN(L)||isNaN(z)||A.push([L,z])}u.appendChildren(h,i(k,A,e,r))}}return h}},{\"../../constants/xmlns_namespaces\":556,\"../../lib\":568,\"../drawing\":506,\"../drawing/symbol_defs\":507,\"./helpers\":541,d3:119}],544:[function(t,e,r){\"use strict\";var n=t(\"../annotations/attributes\"),i=t(\"../../traces/scatter/attributes\"),o=t(\"../../lib/extend\").extendFlat,a=i.line;e.exports={_isLinkedToArray:!0,type:{valType:\"enumerated\",values:[\"circle\",\"rect\",\"path\",\"line\"]},layer:{valType:\"enumerated\",values:[\"below\",\"above\"],dflt:\"above\"},xref:o({},n.xref,{}),x0:{valType:\"any\"},x1:{valType:\"any\"},yref:o({},n.yref,{}),y0:{valType:\"any\"},y1:{valType:\"any\"},path:{valType:\"string\"},opacity:{valType:\"number\",min:0,max:1,dflt:1},line:{color:a.color,width:a.width,dash:a.dash},fillcolor:{valType:\"color\",dflt:\"rgba(0,0,0,0)\"}}},{\"../../lib/extend\":563,\"../../traces/scatter/attributes\":750,\"../annotations/attributes\":480}],545:[function(t,e,r){\"use strict\";function n(t,e){function r(e,r){return k.coerce(t,n,z.layoutAttributes,e,r)}var n={};r(\"layer\"),r(\"opacity\"),r(\"fillcolor\"),r(\"line.color\"),r(\"line.width\"),r(\"line.dash\");for(var i=t.path?\"path\":\"rect\",a=r(\"type\",i),s=[\"x\",\"y\"],l=0;2>l;l++){var u=s[l],c={_fullLayout:e},h=A.coerceRef(t,n,c,u);if(\"path\"!==a){var f=.25,d=.75;if(\"paper\"!==h){var p=A.getFromId(c,h),v=o(p);f=v(p.range[0]+f*(p.range[1]-p.range[0])),d=v(p.range[0]+d*(p.range[1]-p.range[0]))}r(u+\"0\",f),r(u+\"1\",d)}}return\"path\"===a?r(\"path\"):k.noneOrAll(t,n,[\"x0\",\"x1\",\"y0\",\"y1\"]),n}function i(t){return\"category\"===t.type?t.c2l:t.d2l}function o(t){return\"category\"===t.type?t.l2c:t.l2d}function a(t,e){t.layout.shapes=e,z.supplyLayoutDefaults(t.layout,t._fullLayout),z.drawAll(t)}function s(t){delete t.layout.shapes,t._fullLayout.shapes=[],z.drawAll(t)}function l(t,e,r){for(var n=0;n<t._fullLayout.shapes.length;n++)z.draw(t,n,e,r)}function u(t,e){d(t,e).selectAll('[data-index=\"'+e+'\"]').remove(),t._fullLayout.shapes.splice(e,1),t.layout.shapes.splice(e,1);for(var r=e;r<t._fullLayout.shapes.length;r++)d(t,r).selectAll('[data-index=\"'+(r+1)+'\"]').attr(\"data-index\",r),z.draw(t,r)}function c(t,e,r){t._fullLayout.shapes.splice(e,0,{});var n=k.isPlainObject(r)?k.extendFlat({},r):{text:\"New text\"};t.layout.shapes?t.layout.shapes.splice(e,0,n):t.layout.shapes=[n];for(var i=t._fullLayout.shapes.length-1;i>e;i--)d(t,i).selectAll('[data-index=\"'+(i-1)+'\"]').attr(\"data-index\",i),z.draw(t,i)}function h(t,e,r,a){function s(r){var n={\"data-index\":e,\"fill-rule\":\"evenodd\",d:b(t,z)},i=z.line.width?z.line.color:\"rgba(0,0,0,0)\",o=r.append(\"path\").attr(n).style(\"opacity\",z.opacity).call(T.stroke,i).call(T.fill,z.fillcolor).call(E.dashLine,z.line.dash,z.line.width);I&&o.call(E.setClipUrl,\"clip\"+t._fullLayout._uid+I),t._context.editable&&f(t,o,z,e)}var l,u;d(t,e).selectAll('[data-index=\"'+e+'\"]').remove();var c=t.layout.shapes[e];if(c){var h={xref:c.xref,yref:c.yref},v={};\"string\"==typeof r&&r?v[r]=a:k.isPlainObject(r)&&(v=r);var m=Object.keys(v);for(l=0;l<m.length;l++){var g=m[l];k.nestedProperty(c,g).set(v[g])}var y=[\"x0\",\"x1\",\"y0\",\"y1\"];for(l=0;4>l;l++){var x=y[l];if(void 0===v[x]&&void 0!==c[x]){var _,w=x.charAt(0),M=A.getFromId(t,A.coerceRef(h,{},t,w)),S=A.getFromId(t,A.coerceRef(c,{},t,w)),L=c[x];void 0!==v[w+\"ref\"]&&(M?(_=i(M)(L),L=(_-M.range[0])/(M.range[1]-M.range[0])):L=(L-S.domain[0])/(S.domain[1]-S.domain[0]),S?(_=S.range[0]+L*(S.range[1]-S.range[0]),L=o(S)(_)):L=M.domain[0]+L*(M.domain[1]-M.domain[0])),c[x]=L}}var z=n(c,t._fullLayout);t._fullLayout.shapes[e]=z;var I;if(\"below\"!==z.layer)I=(z.xref+z.yref).replace(/paper/g,\"\"),s(t._fullLayout._shapeUpperLayer);else if(\"paper\"===z.xref&&\"paper\"===z.yref)I=\"\",s(t._fullLayout._shapeLowerLayer);else{var P,C=t._fullLayout._plots||{},R=Object.keys(C);for(l=0,u=R.length;u>l;l++)P=C[R[l]],I=R[l],p(t,z,P)&&s(P.shapelayer)}}}function f(t,e,r,n){function i(t){var r=J.right-J.left,n=J.bottom-J.top,i=t.clientX-J.left,o=t.clientY-J.top,a=r>W&&n>Z&&!t.shiftKey?S.getCursor(i/r,1-o/n):\"move\";L(e,a),Y=a.split(\"-\")[0]}function o(e){U=A.getFromId(t,r.xref),V=A.getFromId(t,r.yref),q=g(t,U),G=g(t,V,!0),H=y(t,U),X=y(t,V,!0);var o=\"shapes[\"+n+\"]\";\"path\"===r.type?(N=r.path,B=o+\".path\"):(c=q(r.x0),h=G(r.y0),f=q(r.x1),d=G(r.y1),p=o+\".x0\",v=o+\".y0\",_=o+\".x1\",w=o+\".y1\"),f>c?(E=c,C=o+\".x0\",F=\"x0\",z=f,R=o+\".x1\",j=\"x1\"):(E=f,C=o+\".x1\",F=\"x1\",z=c,R=o+\".x0\",j=\"x0\"),d>h?(k=h,I=o+\".y0\",D=\"y0\",T=d,P=o+\".y1\",O=\"y1\"):(k=d,I=o+\".y1\",D=\"y1\",T=h,P=o+\".y0\",O=\"y0\"),u={},i(e),K.moveFn=\"move\"===Y?s:l}function a(r){L(e),r&&M.relayout(t,u)}function s(n,i){if(\"path\"===r.type){var o=function(t){return H(q(t)+n)};U&&\"date\"===U.type&&(o=m(o));var a=function(t){return X(G(t)+i)};V&&\"date\"===V.type&&(a=m(a)),r.path=x(N,o,a),u[B]=r.path}else u[p]=r.x0=H(c+n),u[v]=r.y0=X(h+i),u[_]=r.x1=H(f+n),u[w]=r.y1=X(d+i);e.attr(\"d\",b(t,r))}function l(n,i){if(\"path\"===r.type){var o=function(t){return H(q(t)+n)};U&&\"date\"===U.type&&(o=m(o));var a=function(t){return X(G(t)+i)};V&&\"date\"===V.type&&(a=m(a)),r.path=x(N,o,a),u[B]=r.path}else{var s=~Y.indexOf(\"n\")?k+i:k,l=~Y.indexOf(\"s\")?T+i:T,c=~Y.indexOf(\"w\")?E+n:E,h=~Y.indexOf(\"e\")?z+n:z;l-s>Z&&(u[I]=r[D]=X(s),u[P]=r[O]=X(l)),h-c>W&&(u[C]=r[F]=H(c),u[R]=r[j]=H(h))}e.attr(\"d\",b(t,r))}var u,c,h,f,d,p,v,_,w,k,T,E,z,I,P,C,R,D,O,F,j,N,B,U,V,q,G,H,X,Y,W=10,Z=10,K={setCursor:i,element:e.node(),prepFn:o,doneFn:a},J=K.element.getBoundingClientRect();S.init(K)}function d(t,e){var r=t._fullLayout.shapes[e],n=t._fullLayout._shapeUpperLayer;return r?\"below\"===r.layer&&(n=\"paper\"===r.xref&&\"paper\"===r.yref?t._fullLayout._shapeLowerLayer:t._fullLayout._shapeSubplotLayer):k.log(\"getShapeLayer: undefined shape: index\",e),n}function p(t,e,r){var n=M.Axes.getFromId(t,r.id,\"x\")._id,i=M.Axes.getFromId(t,r.id,\"y\")._id,o=\"below\"===e.layer,a=n===e.xref||i===e.yref,s=!!r.shapelayer;return o&&a&&s}function v(t){return function(e){return e.replace&&(e=e.replace(\"_\",\" \")),t(e)}}function m(t){return function(e){return t(e).replace(\" \",\"_\")}}function g(t,e,r){var n,o=t._fullLayout._size;if(e){var a=i(e);n=function(t){return e._offset+e.l2p(a(t,!0))},\"date\"===e.type&&(n=v(n))}else n=r?function(t){return o.t+o.h*(1-t)}:function(t){return o.l+o.w*t};return n}function y(t,e,r){var n,i=t._fullLayout._size;if(e){var a=o(e);n=function(t){return a(e.p2l(t-e._offset))}}else n=r?function(t){return 1-(t-i.t)/i.h}:function(t){return(t-i.l)/i.w};return n}function b(t,e){var r,n,o,a,s=e.type,l=A.getFromId(t,e.xref),u=A.getFromId(t,e.yref),c=t._fullLayout._size;if(l?(r=i(l),n=function(t){return l._offset+l.l2p(r(t,!0))}):n=function(t){return c.l+c.w*t},u?(o=i(u),a=function(t){return u._offset+u.l2p(o(t,!0))}):a=function(t){return c.t+c.h*(1-t)},\"path\"===s)return l&&\"date\"===l.type&&(n=v(n)),u&&\"date\"===u.type&&(a=v(a)),z.convertPath(e.path,n,a);var h=n(e.x0),f=n(e.x1),d=a(e.y0),p=a(e.y1);if(\"line\"===s)return\"M\"+h+\",\"+d+\"L\"+f+\",\"+p;if(\"rect\"===s)return\"M\"+h+\",\"+d+\"H\"+f+\"V\"+p+\"H\"+h+\"Z\";var m=(h+f)/2,g=(d+p)/2,y=Math.abs(m-h),b=Math.abs(g-d),x=\"A\"+y+\",\"+b,_=m+y+\",\"+g,w=m+\",\"+(g-b);return\"M\"+_+x+\" 0 1,1 \"+w+x+\" 0 0,1 \"+_+\"Z\"}function x(t,e,r){return t.replace(I,function(t){var n=0,i=t.charAt(0),o=C[i],a=R[i],s=D[i],l=t.substr(1).replace(P,function(t){return n>=s?t:(o[n]?t=e(t):a[n]&&(t=r(t)),n++,t)});return i+l})}function _(t,e,r,n,i){var o=\"category\"===t.type?Number:t.d2c;if(void 0!==e)return[o(e),o(r)];if(n){var a,s,l,u,c,h=1/0,f=-(1/0),d=n.match(I);for(\"date\"===t.type&&(o=v(o)),a=0;a<d.length;a++)s=d[a],l=i[s.charAt(0)].drawn,void 0!==l&&(u=d[a].substr(1).match(P),!u||u.length<l||(c=o(u[l]),h>c&&(h=c),c>f&&(f=c)));return f>=h?[h,f]:void 0}}var w=t(\"fast-isnumeric\"),M=t(\"../../plotly\"),k=t(\"../../lib\"),A=t(\"../../plots/cartesian/axes\"),T=t(\"../color\"),E=t(\"../drawing\"),S=t(\"../dragelement\"),L=t(\"../../lib/setcursor\"),z=e.exports={};z.layoutAttributes=t(\"./attributes\"),z.supplyLayoutDefaults=function(t,e){for(var r=t.shapes||[],i=e.shapes=[],o=0;o<r.length;o++)i.push(n(r[o]||{},e))},z.drawAll=function(t){var e=t._fullLayout;e._shapeUpperLayer.selectAll(\"path\").remove(),e._shapeLowerLayer.selectAll(\"path\").remove(),e._shapeSubplotLayer.selectAll(\"path\").remove();for(var r=0;r<e.shapes.length;r++)z.draw(t,r)},z.add=function(t){var e=t._fullLayout.shapes.length;M.relayout(t,\"shapes[\"+e+\"]\",\"add\")},z.draw=function(t,e,r,n){if(!w(e)||-1===e){if(!e&&Array.isArray(n))return void a(t,n);if(\"remove\"===n)return void s(t);if(r&&\"add\"!==n)return void l(t,r,n);e=t._fullLayout.shapes.length,t._fullLayout.shapes.push({})}if(!r&&n){if(\"remove\"===n)return void u(t,e);(\"add\"===n||k.isPlainObject(n))&&c(t,e,n)}h(t,e,r,n)};var I=/[MLHVQCTSZ][^MLHVQCTSZ]*/g,P=/[^\\s,]+/g,C={M:{0:!0,drawn:0},L:{0:!0,drawn:0},H:{0:!0,drawn:0},V:{},Q:{0:!0,2:!0,drawn:2},C:{0:!0,2:!0,4:!0,drawn:4},T:{0:!0,drawn:0},S:{0:!0,2:!0,drawn:2},Z:{}},R={M:{1:!0,drawn:1},L:{1:!0,drawn:1},H:{},V:{0:!0,drawn:0},Q:{1:!0,3:!0,drawn:3},C:{1:!0,3:!0,5:!0,drawn:5},T:{1:!0,drawn:1},S:{1:!0,3:!0,drawn:5},Z:{}},D={M:2,L:2,H:1,V:1,Q:4,C:6,T:2,S:4,Z:0};z.convertPath=function(t,e,r){return t.replace(I,function(t){var n=0,i=t.charAt(0),o=C[i],a=R[i],s=D[i],l=t.substr(1).replace(P,function(t){return o[n]?t=e(t):a[n]&&(t=r(t)),n++,n>s&&(t=\"X\"),t});return n>s&&(l=l.replace(/[\\s,]*X.*/,\"\"),k.log(\"Ignoring extra params in segment \"+t)),i+l})},z.calcAutorange=function(t){var e,r,n,i,o,a=t._fullLayout,s=a.shapes;if(s.length&&t._fullData.length)for(e=0;e<s.length;e++)r=s[e],n=r.line.width/2,\"paper\"!==r.xref&&(i=A.getFromId(t,r.xref),o=_(i,r.x0,r.x1,r.path,C),o&&A.expand(i,o,{ppad:n})),\"paper\"!==r.yref&&(i=A.getFromId(t,r.yref),o=_(i,r.y0,r.y1,r.path,R),o&&A.expand(i,o,{ppad:n}))}},{\"../../lib\":568,\"../../lib/setcursor\":577,\"../../plotly\":589,\"../../plots/cartesian/axes\":592,\"../color\":483,\"../dragelement\":504,\"../drawing\":506,\"./attributes\":544,\"fast-isnumeric\":123}],546:[function(t,e,r){\"use strict\";var n=t(\"d3\"),i=t(\"fast-isnumeric\"),o=t(\"../../plotly\"),a=t(\"../../plots/plots\"),s=t(\"../../lib\"),l=t(\"../drawing\"),u=t(\"../color\"),c=t(\"../../lib/svg_text_utils\"),h=e.exports={};h.draw=function(t,e,r){function h(t){s.syncOrAsync([f,d],t)}function f(e){return e.attr(\"transform\",_?\"rotate(\"+[_.rotate,x.x,x.y]+\") translate(0, \"+_.offset+\")\":null),e.style({\"font-family\":k,\"font-size\":n.round(A,2)+\"px\",fill:u.rgb(T),opacity:E*u.opacity(T),\"font-weight\":a.fontWeight}).attr(x).call(c.convertToTspans).attr(x),e.selectAll(\"tspan.line\").attr(x),a.previousPromises(t)}function d(t){var e=n.select(t.node().parentNode);if(b&&b.selection&&b.side&&L){e.attr(\"transform\",null);var r=0,o={left:\"right\",right:\"left\",top:\"bottom\",bottom:\"top\"}[b.side],a=-1!==[\"left\",\"top\"].indexOf(b.side)?-1:1,u=i(b.pad)?b.pad:2,c=l.bBox(e.node()),h={left:0,top:0,right:M.width,bottom:M.height},f=b.maxShift||(h[b.side]-c[b.side])*(\"left\"===b.side||\"top\"===b.side?-1:1);if(0>f?r=f:(c.left-=b.offsetLeft,c.right-=b.offsetLeft,c.top-=b.offsetTop,c.bottom-=b.offsetTop,b.selection.each(function(){var t=l.bBox(this);s.bBoxIntersect(c,t,u)&&(r=Math.max(r,a*(t[b.side]-c[o])+u))}),r=Math.min(f,r)),r>0||0>f){var d={left:[-r,0],right:[r,0],top:[0,-r],bottom:[0,r]}[b.side];e.attr(\"transform\",\"translate(\"+d+\")\")}}}function p(){E=0,S=!0,L=I,M._infolayer.select(\".\"+e).attr({\"data-unformatted\":L}).text(L).on(\"mouseover.opacity\",function(){n.select(this).transition().duration(100).style(\"opacity\",1)}).on(\"mouseout.opacity\",function(){n.select(this).transition().duration(1e3).style(\"opacity\",0)})}var v=r.propContainer,m=r.propName,g=r.traceIndex,y=r.dfltName,b=r.avoid||{},x=r.attributes,_=r.transform,w=r.containerGroup,M=t._fullLayout,k=v.titlefont.family,A=v.titlefont.size,T=v.titlefont.color,E=1,S=!1,L=v.title.trim();\"\"===L&&(E=0),L.match(/Click to enter .+ title/)&&(E=.2,S=!0),w||(w=M._infolayer.selectAll(\".g-\"+e).data([0]),w.enter().append(\"g\").classed(\"g-\"+e,!0));var z=w.selectAll(\"text\").data([0]);z.enter().append(\"text\"),z.text(L).attr(\"class\",e),z.attr({\"data-unformatted\":L}).call(h);var I=\"Click to enter \"+y+\" title\";t._context.editable?(L||p(),z.call(c.makeEditable).on(\"edit\",function(e){void 0!==g?o.restyle(t,m,e,g):o.relayout(t,m,e)}).on(\"cancel\",function(){this.text(this.attr(\"data-unformatted\")).call(h)}).on(\"input\",function(t){this.text(t||\" \").attr(x).selectAll(\"tspan.line\").attr(x)})):L&&!L.match(/Click to enter .+ title/)||z.remove(),z.classed(\"js-placeholder\",S)}},{\"../../lib\":568,\"../../lib/svg_text_utils\":581,\"../../plotly\":589,\"../../plots/plots\":648,\"../color\":483,\"../drawing\":506,d3:119,\"fast-isnumeric\":123}],547:[function(t,e,r){\"use strict\";var n=t(\"../../plots/font_attributes\"),i=t(\"../color/attributes\"),o=t(\"../../lib/extend\").extendFlat,a={_isLinkedToArray:!0,method:{valType:\"enumerated\",values:[\"restyle\",\"relayout\"],dflt:\"restyle\"},args:{valType:\"info_array\",freeLength:!0,items:[{valType:\"any\"},{valType:\"any\"},{valType:\"any\"}]},label:{valType:\"string\",dflt:\"\"}};e.exports={_isLinkedToArray:!0,visible:{valType:\"boolean\"},active:{valType:\"integer\",min:-1,dflt:0},buttons:a,x:{valType:\"number\",min:-2,max:3,dflt:-.05},xanchor:{valType:\"enumerated\",values:[\"auto\",\"left\",\"center\",\"right\"],dflt:\"right\"},y:{valType:\"number\",min:-2,max:3,dflt:1},yanchor:{valType:\"enumerated\",values:[\"auto\",\"top\",\"middle\",\"bottom\"],dflt:\"bottom\"},font:o({},n,{}),bgcolor:{valType:\"color\"},bordercolor:{valType:\"color\",dflt:i.borderLine},borderwidth:{valType:\"number\",min:0,dflt:1}}},{\"../../lib/extend\":563,\"../../plots/font_attributes\":610,\"../color/attributes\":482}],548:[function(t,e,r){\"use strict\";e.exports={name:\"updatemenus\",itemName:\"updatemenu\",containerClassName:\"updatemenu-container\",headerGroupClassName:\"updatemenu-header-group\",headerClassName:\"updatemenu-header\",headerArrowClassName:\"updatemenu-header-arrow\",buttonGroupClassName:\"updatemenu-button-group\",buttonClassName:\"updatemenu-button\",itemRectClassName:\"updatemenu-item-rect\",itemTextClassName:\"updatemenu-item-text\",menuIndexAttrName:\"updatemenu-active-index\",autoMarginIdRoot:\"updatemenu-\",blankHeaderOpts:{label:\"  \"},minWidth:30,minHeight:30,textPadX:40,fontSizeToHeight:1.3,rx:2,ry:2,textOffsetX:12,textOffsetY:3,arrowOffsetX:4,gapButtonHeader:5,gapButton:2,activeColor:\"#F4FAFF\",hoverColor:\"#F4FAFF\"}},{}],549:[function(t,e,r){\"use strict\";function n(t,e,r){function n(r,n){return o.coerce(t,e,a,r,n)}var s=i(t,e),l=n(\"visible\",s.length>0);l&&(n(\"active\"),n(\"x\"),n(\"y\"),o.noneOrAll(t,e,[\"x\",\"y\"]),n(\"xanchor\"),n(\"yanchor\"),o.coerceFont(n,\"font\",r.font),n(\"bgcolor\",r.paper_bgcolor),n(\"bordercolor\"),n(\"borderwidth\"))}function i(t,e){function r(t,e){return o.coerce(n,i,u,t,e)}for(var n,i,a=t.buttons||[],s=e.buttons=[],l=0;l<a.length;l++)n=a[l],i={},o.isPlainObject(n)&&Array.isArray(n.args)&&(r(\"method\"),r(\"args\"),r(\"label\"),i._index=l,s.push(i));return s}var o=t(\"../../lib\"),a=t(\"./attributes\"),s=t(\"./constants\"),l=s.name,u=a.buttons;e.exports=function(t,e){for(var r=Array.isArray(t[l])?t[l]:[],i=e[l]=[],o=0;o<r.length;o++){var a=r[o]||{},s={};n(a,s,e),s._input=a,s._index=o,i.push(s)}}},{\"../../lib\":568,\"./attributes\":547,\"./constants\":548}],550:[function(t,e,r){\"use strict\";function n(t){for(var e=t[T.name],r=[],n=0;n<e.length;n++){var i=e[n];i.visible&&r.push(i)}return r}function i(t){return t._index}function o(t,e){var r=+t.attr(T.menuIndexAttrName);return r===e._index}function a(t,e,r,n){var i=e.selectAll(\"g.\"+T.headerClassName).data([0]);i.enter().append(\"g\").classed(T.headerClassName,!0).style(\"pointer-events\",\"all\");var a=n.active,u=n.buttons[a]||T.blankHeaderOpts,c={y:0,yPad:0};i.call(l,n,u).call(v,n,c);var h=e.selectAll(\"text.\"+T.headerArrowClassName).data([0]);h.enter().append(\"text\").classed(T.headerArrowClassName,!0).classed(\"user-select-none\",!0).attr(\"text-anchor\",\"end\").call(M.font,n.font).text(\"\\u25bc\"),h.attr({x:n.width-T.arrowOffsetX,y:n.height1/2+T.textOffsetY}),i.on(\"click\",function(){r.call(m),r.attr(T.menuIndexAttrName,o(r,n)?\"-1\":String(n._index)),s(t,e,r,n)}),i.on(\"mouseover\",function(){i.call(f)}),i.on(\"mouseout\",function(){i.call(d,n)}),_.setTranslate(e,n.lx,n.ly)}function s(t,e,r,n){var i=\"-1\"!==r.attr(T.menuIndexAttrName)?n.buttons:[],o=r.selectAll(\"g.\"+T.buttonClassName).data(i);o.enter().append(\"g\").classed(T.buttonClassName,!0).attr(\"opacity\",\"0\").transition().attr(\"opacity\",\"1\"),o.exit().transition().attr(\"opacity\",\"0\").remove();var u={y:n.height1+T.gapButtonHeader,yPad:T.gapButton};o.each(function(i,c){var p=y.select(this);p.call(l,n,i).call(v,n,u),p.on(\"click\",function(){n._input.active=n.active=c,r.attr(T.menuIndexAttrName,\"-1\"),a(t,e,r,n),s(t,e,r,n);var o=i.args;b[i.method](t,o[0],o[1],o[2])}),p.on(\"mouseover\",function(){p.call(f)}),p.on(\"mouseout\",function(){p.call(d,n),o.call(h,n)})}),o.call(h,n),_.setTranslate(r,n.lx,n.ly)}function l(t,e,r){t.call(u,e).call(c,e,r)}function u(t,e){var r=t.selectAll(\"rect\").data([0]);r.enter().append(\"rect\").classed(T.itemRectClassName,!0).attr({rx:T.rx,ry:T.ry,\"shape-rendering\":\"crispEdges\"}),r.call(w.stroke,e.bordercolor).call(w.fill,e.bgcolor).style(\"stroke-width\",e.borderwidth+\"px\")}function c(t,e,r){var n=t.selectAll(\"text\").data([0]);n.enter().append(\"text\").classed(T.itemTextClassName,!0).classed(\"user-select-none\",!0).attr(\"text-anchor\",\"start\"),n.call(M.font,e.font).text(r.label).call(k.convertToTspans)}function h(t,e){var r=e.active;t.each(function(t,e){var n=y.select(this);e===r&&n.select(\"rect.\"+T.itemRectClassName).call(w.fill,T.activeColor)})}function f(t){t.select(\"rect.\"+T.itemRectClassName).call(w.fill,T.hoverColor)}function d(t,e){t.select(\"rect.\"+T.itemRectClassName).call(w.fill,e.bgcolor)}function p(t,e){e.width=0,e.height=0,e.height1=0,e.lx=0,e.ly=0;var r=t._tester.selectAll(\"g.\"+T.buttonClassName).data(e.buttons);r.enter().append(\"g\").classed(T.buttonClassName,!0),r.each(function(t){var r=y.select(this);r.call(l,e,t);var n=r.select(\".\"+T.itemTextClassName),i=n.selectAll(\"tspan\"),o=n.node()&&M.bBox(n.node()).width,a=Math.max(o+T.textPadX,T.minWidth),s=e.font.size*T.fontSizeToHeight,u=i[0].length||1,c=Math.max(s*u,T.minHeight)+T.textOffsetY;e.width=Math.max(e.width,a),e.height1=Math.max(e.height1,c),e.height+=e.height1}),r.remove();var n=t._fullLayout._size;e.lx=n.l+n.w*e.x,e.ly=n.t+n.h*(1-e.y);var i=\"left\";A.isRightAnchor(e)&&(e.lx-=e.width,i=\"right\"),A.isCenterAnchor(e)&&(e.lx-=e.width/2,i=\"center\");var o=\"top\";A.isBottomAnchor(e)&&(e.ly-=e.height,o=\"bottom\"),A.isMiddleAnchor(e)&&(e.ly-=e.height/2,o=\"middle\"),e.width=Math.ceil(e.width),e.height=Math.ceil(e.height),e.lx=Math.round(e.lx),e.ly=Math.round(e.ly),x.autoMargin(t,T.autoMarginIdRoot+e._index,{x:e.x,y:e.y,l:e.width*({right:1,center:.5}[i]||0),r:e.width*({left:1,center:.5}[i]||0),b:e.height*({top:1,middle:.5}[o]||0),t:e.height*({bottom:1,middle:.5}[o]||0)})}function v(t,e,r){var n=t.select(\".\"+T.itemRectClassName),i=t.select(\".\"+T.itemTextClassName),o=i.selectAll(\"tspan\"),a=e.borderwidth;_.setTranslate(t,a,a+r.y),n.attr({x:0,y:0,width:e.width,height:e.height1});var s=e.font.size*T.fontSizeToHeight,l=o[0].length||1,u=(l-1)*s/4,c={x:T.textOffsetX,y:e.height1/2-u+T.textOffsetY};i.attr(c),o.attr(c),r.y+=e.height1+r.yPad}function m(t){t.selectAll(\"g.\"+T.buttonClassName).remove()}function g(t){for(var e=t._fullLayout._pushmargin||{},r=Object.keys(e),n=0;n<r.length;n++){var i=r[n];-1!==i.indexOf(T.autoMarginIdRoot)&&x.autoMargin(t,i)}}var y=t(\"d3\"),b=t(\"../../plotly\"),x=t(\"../../plots/plots\"),_=t(\"../../lib\"),w=t(\"../color\"),M=t(\"../drawing\"),k=t(\"../../lib/svg_text_utils\"),A=t(\"../legend/anchor_utils\"),T=t(\"./constants\");e.exports=function(t){var e=t._fullLayout,r=n(e),l=e._infolayer.selectAll(\"g.\"+T.containerClassName).data(r.length>0?[0]:[]);if(l.enter().append(\"g\").classed(T.containerClassName,!0).style(\"cursor\",\"pointer\"),l.exit().remove(),l.exit().size()&&g(t),0!==r.length){var u=l.selectAll(\"g.\"+T.headerGroupClassName).data(r,i);u.enter().append(\"g\").classed(T.headerGroupClassName,!0);var c=l.selectAll(\"g.\"+T.buttonGroupClassName).data([0]);c.enter().append(\"g\").classed(T.buttonGroupClassName,!0).style(\"pointer-events\",\"all\"),u.enter().size()&&c.call(m).attr(T.menuIndexAttrName,\"-1\"),u.exit().each(function(e){y.select(this).remove(),c.call(m).attr(T.menuIndexAttrName,\"-1\"),x.autoMargin(t,T.autoMarginIdRoot+e._index)});for(var h=0;h<r.length;h++){var f=r[h];p(t,f)}u.each(function(e){var r=y.select(this);a(t,r,c,e),o(c,e)&&s(t,r,c,e)})}}},{\"../../lib\":568,\"../../lib/svg_text_utils\":581,\"../../plotly\":589,\"../../plots/plots\":648,\"../color\":483,\"../drawing\":506,\"../legend/anchor_utils\":519,\"./constants\":548,d3:119}],551:[function(t,e,r){\"use strict\";r.layoutAttributes=t(\"./attributes\"),r.supplyLayoutDefaults=t(\"./defaults\"),r.draw=t(\"./draw\")},{\"./attributes\":547,\"./defaults\":549,\"./draw\":550}],552:[function(t,e,r){\"use strict\";e.exports={solid:[1],dot:[1,1],dash:[4,1],longdash:[8,1],dashdot:[4,1,1,1],longdashdot:[8,1,1,1]}},{}],553:[function(t,e,r){\"use strict\";e.exports={solid:[[],0],dot:[[.5,1],200],dash:[[.5,1],50],longdash:[[.5,1],10],dashdot:[[.5,.625,.875,1],50],longdashdot:[[.5,.7,.8,1],10]}},{}],554:[function(t,e,r){\"use strict\";e.exports={circle:\"\\u25cf\",\"circle-open\":\"\\u25cb\",square:\"\\u25a0\",\"square-open\":\"\\u25a1\",diamond:\"\\u25c6\",\"diamond-open\":\"\\u25c7\",cross:\"+\",x:\"\\u274c\"}},{}],555:[function(t,e,r){\"use strict\";e.exports={entityToUnicode:{mu:\"\\u03bc\",amp:\"&\",lt:\"<\",gt:\">\",nbsp:\"\\xa0\",times:\"\\xd7\",plusmn:\"\\xb1\",deg:\"\\xb0\"},unicodeToEntity:{\"&\":\"amp\",\"<\":\"lt\",\">\":\"gt\",'\"':\"quot\",\"'\":\"#x27\",\"/\":\"#x2F\"}}},{}],556:[function(t,e,r){\"use strict\";r.xmlns=\"http://www.w3.org/2000/xmlns/\",r.svg=\"http://www.w3.org/2000/svg\",r.xlink=\"http://www.w3.org/1999/xlink\",r.svgAttrs={xmlns:r.svg,\"xmlns:xlink\":r.xlink}},{}],557:[function(t,e,r){\"use strict\";var n=t(\"./plotly\");r.version=\"1.16.2\",r.plot=n.plot,r.newPlot=n.newPlot,r.restyle=n.restyle,r.relayout=n.relayout,\nr.redraw=n.redraw,r.extendTraces=n.extendTraces,r.prependTraces=n.prependTraces,r.addTraces=n.addTraces,r.deleteTraces=n.deleteTraces,r.moveTraces=n.moveTraces,r.purge=n.purge,r.setPlotConfig=t(\"./plot_api/set_plot_config\"),r.register=n.register,r.toImage=t(\"./plot_api/to_image\"),r.downloadImage=t(\"./snapshot/download\"),r.validate=t(\"./plot_api/validate\"),r.Icons=t(\"../build/ploticon\"),r.Plots=n.Plots,r.Fx=n.Fx,r.Snapshot=n.Snapshot,r.PlotSchema=n.PlotSchema,r.Queue=n.Queue,r.d3=t(\"d3\")},{\"../build/ploticon\":2,\"./plot_api/set_plot_config\":586,\"./plot_api/to_image\":587,\"./plot_api/validate\":588,\"./plotly\":589,\"./snapshot/download\":663,d3:119}],558:[function(t,e,r){\"use strict\";\"undefined\"!=typeof MathJax?(r.MathJax=!0,MathJax.Hub.Config({messageStyle:\"none\",skipStartupTypeset:!0,displayAlign:\"left\",tex2jax:{inlineMath:[[\"$\",\"$\"],[\"\\\\(\",\"\\\\)\"]]}}),MathJax.Hub.Configured()):r.MathJax=!1},{}],559:[function(t,e,r){\"use strict\";e.exports=function(t,e,r,n){Array.isArray(t)&&(e[r]=t[n])}},{}],560:[function(t,e,r){\"use strict\";var n=t(\"fast-isnumeric\"),i=t(\"tinycolor2\"),o=t(\"./nested_property\"),a=t(\"../components/colorscale/get_scale\"),s=(Object.keys(t(\"../components/colorscale/scales\")),/^([2-9]|[1-9][0-9]+)$/);r.valObjects={data_array:{coerceFunction:function(t,e,r){Array.isArray(t)?e.set(t):void 0!==r&&e.set(r)}},enumerated:{coerceFunction:function(t,e,r,n){n.coerceNumber&&(t=+t),-1===n.values.indexOf(t)?e.set(r):e.set(t)}},\"boolean\":{coerceFunction:function(t,e,r){t===!0||t===!1?e.set(t):e.set(r)}},number:{coerceFunction:function(t,e,r,i){!n(t)||void 0!==i.min&&t<i.min||void 0!==i.max&&t>i.max?e.set(r):e.set(+t)}},integer:{coerceFunction:function(t,e,r,i){t%1||!n(t)||void 0!==i.min&&t<i.min||void 0!==i.max&&t>i.max?e.set(r):e.set(+t)}},string:{coerceFunction:function(t,e,r,n){if(\"string\"!=typeof t){var i=\"number\"==typeof t;n.strict!==!0&&i?e.set(String(t)):e.set(r)}else n.noBlank&&!t?e.set(r):e.set(t)}},color:{coerceFunction:function(t,e,r){i(t).isValid()?e.set(t):e.set(r)}},colorscale:{coerceFunction:function(t,e,r){e.set(a(t,r))}},angle:{coerceFunction:function(t,e,r){\"auto\"===t?e.set(\"auto\"):n(t)?(Math.abs(t)>180&&(t-=360*Math.round(t/360)),e.set(+t)):e.set(r)}},subplotid:{coerceFunction:function(t,e,r){var n=r.length;return\"string\"==typeof t&&t.substr(0,n)===r&&s.test(t.substr(n))?void e.set(t):void e.set(r)},validateFunction:function(t,e){var r=e.dflt,n=r.length;return t===r?!0:\"string\"!=typeof t?!1:!(t.substr(0,n)!==r||!s.test(t.substr(n)))}},flaglist:{coerceFunction:function(t,e,r,n){if(\"string\"!=typeof t)return void e.set(r);if(-1!==(n.extras||[]).indexOf(t))return void e.set(t);for(var i=t.split(\"+\"),o=0;o<i.length;){var a=i[o];-1===n.flags.indexOf(a)||i.indexOf(a)<o?i.splice(o,1):o++}i.length?e.set(i.join(\"+\")):e.set(r)}},any:{coerceFunction:function(t,e,r){void 0===t?e.set(r):e.set(t)}},info_array:{coerceFunction:function(t,e,n,i){if(!Array.isArray(t))return void e.set(n);var o=i.items,a=[];n=Array.isArray(n)?n:[];for(var s=0;s<o.length;s++)r.coerce(t,a,o,\"[\"+s+\"]\",n[s]);e.set(a)},validateFunction:function(t,e){if(!Array.isArray(t))return!1;var n=e.items;if(!e.freeLength&&t.length!==n.length)return!1;for(var i=0;i<t.length;i++){var o=r.validate(t[i],e.items[i]);if(!o)return!1}return!0}}},r.coerce=function(t,e,n,i,a){var s=o(n,i).get(),l=o(t,i),u=o(e,i),c=l.get();return void 0===a&&(a=s.dflt),s.arrayOk&&Array.isArray(c)?(u.set(c),c):(r.valObjects[s.valType].coerceFunction(c,u,a,s),u.get())},r.coerce2=function(t,e,n,i,a){var s=o(t,i),l=r.coerce(t,e,n,i,a);return s.get()?l:!1},r.coerceFont=function(t,e,r){var n={};return r=r||{},n.family=t(e+\".family\",r.family),n.size=t(e+\".size\",r.size),n.color=t(e+\".color\",r.color),n},r.validate=function(t,e){var n=r.valObjects[e.valType];if(e.arrayOk&&Array.isArray(t))return!0;if(n.validateFunction)return n.validateFunction(t,e);var i={},o=i,a={set:function(t){o=t}};return n.coerceFunction(t,a,i,e),o!==i}},{\"../components/colorscale/get_scale\":495,\"../components/colorscale/scales\":501,\"./nested_property\":572,\"fast-isnumeric\":123,tinycolor2:454}],561:[function(t,e,r){\"use strict\";function n(t,e){return String(t+Math.pow(10,e)).substr(1)}function i(t){var e;return e=b.test(t)?\"Y\":\"y\",e+=x.test(t)?\"b\":\"\"}function o(t){var e;return e=w.test(t)?_.test(t)?\"I\":\"H\":\"D\"}var a=t(\"d3\"),s=t(\"fast-isnumeric\"),l=t(\"../lib\");r.dateTime2ms=function(t){try{if(t.getTime)return+t}catch(e){return!1}var r,n,i,o,a=String(t).split(\" \");if(a.length>2)return!1;var l=a[0].split(\"-\");if(l.length>3||3!==l.length&&a[1])return!1;if(4===l[0].length)r=Number(l[0]);else{if(2!==l[0].length)return!1;var u=(new Date).getFullYear();r=((Number(l[0])-u+70)%100+200)%100+u-70}return s(r)?1===l.length?new Date(r,0,1).getTime():(n=Number(l[1])-1,l[1].length>2||!(n>=0&&11>=n)?!1:2===l.length?new Date(r,n,1).getTime():(i=Number(l[2]),l[2].length>2||!(i>=1&&31>=i)?!1:(i=new Date(r,n,i).getTime(),a[1]?(l=a[1].split(\":\"),l.length>3?!1:(o=Number(l[0]),l[0].length>2||!(o>=0&&23>=o)?!1:(i+=36e5*o,1===l.length?i:(n=Number(l[1]),l[1].length>2||!(n>=0&&59>=n)?!1:(i+=6e4*n,2===l.length?i:(t=Number(l[2]),t>=0&&60>t?i+1e3*t:!1)))))):i))):!1},r.isDateTime=function(t){return r.dateTime2ms(t)!==!1},r.ms2DateTime=function(t,e){if(\"undefined\"==typeof a)return void l.error(\"d3 is not defined.\");e||(e=0);var r=new Date(t),i=a.time.format(\"%Y-%m-%d\")(r);return 7776e6>e?(i+=\" \"+n(r.getHours(),2),432e6>e&&(i+=\":\"+n(r.getMinutes(),2),108e5>e&&(i+=\":\"+n(r.getSeconds(),2),3e5>e&&(i+=\".\"+n(r.getMilliseconds(),3)))),i.replace(/([:\\s]00)*\\.?[0]*$/,\"\")):i};var u={H:[\"%H:%M:%S~%L\",\"%H:%M:%S\",\"%H:%M\"],I:[\"%I:%M:%S~%L%p\",\"%I:%M:%S%p\",\"%I:%M%p\"],D:[\"%H\",\"%I%p\",\"%Hh\"]},c={Y:[\"%Y~%m~%d\",\"%Y%m%d\",\"%y%m%d\",\"%m~%d~%Y\",\"%d~%m~%Y\"],Yb:[\"%b~%d~%Y\",\"%d~%b~%Y\",\"%Y~%d~%b\",\"%Y~%b~%d\"],y:[\"%m~%d~%y\",\"%d~%m~%y\",\"%y~%m~%d\"],yb:[\"%b~%d~%y\",\"%d~%b~%y\",\"%y~%d~%b\",\"%y~%b~%d\"]},h=a.time.format.utc,f={Y:{H:[\"%Y~%m~%dT%H:%M:%S\",\"%Y~%m~%dT%H:%M:%S~%L\"].map(h),I:[],D:[\"%Y%m%d%H%M%S\",\"%Y~%m\",\"%m~%Y\"].map(h)},Yb:{H:[],I:[],D:[\"%Y~%b\",\"%b~%Y\"].map(h)},y:{H:[],I:[],D:[]},yb:{H:[],I:[],D:[]}};[\"Y\",\"Yb\",\"y\",\"yb\"].forEach(function(t){c[t].forEach(function(e){f[t].D.push(h(e)),[\"H\",\"I\",\"D\"].forEach(function(r){u[r].forEach(function(n){var i=f[t][r];i.push(h(e+\"~\"+n)),i.push(h(n+\"~\"+e))})})})});var d=/[a-z]*/g,p=function(t){return t.substr(0,3)},v=/(mon|tue|wed|thu|fri|sat|sun|the|of|st|nd|rd|th)/g,m=/[\\s,\\/\\-\\.\\(\\)]+/g,g=/~?([ap])~?m(~|$)/,y=function(t,e){return e+\"m \"},b=/\\d\\d\\d\\d/,x=/(^|~)[a-z]{3}/,_=/[ap]m/,w=/:/,M=/q([1-4])/,k=[\"31~mar\",\"30~jun\",\"30~sep\",\"31~dec\"],A=function(t,e){return k[e-1]},T=/ ?([+\\-]\\d\\d:?\\d\\d|Z)$/;r.parseDate=function(t){if(t.getTime)return t;if(\"string\"!=typeof t)return!1;t=t.toLowerCase().replace(d,p).replace(v,\"\").replace(m,\"~\").replace(g,y).replace(M,A).trim().replace(T,\"\");var e,r,n=null,a=i(t),s=o(t);e=f[a][s],r=e.length;for(var l=0;r>l&&!(n=e[l].parse(t));l++);if(!(n instanceof Date))return!1;var u=n.getTimezoneOffset();return n.setTime(n.getTime()+60*u*1e3),n}},{\"../lib\":568,d3:119,\"fast-isnumeric\":123}],562:[function(t,e,r){\"use strict\";var n=t(\"events\").EventEmitter,i={init:function(t){if(t._ev instanceof n)return t;var e=new n;return t._ev=e,t.on=e.on.bind(e),t.once=e.once.bind(e),t.removeListener=e.removeListener.bind(e),t.removeAllListeners=e.removeAllListeners.bind(e),t.emit=function(r,n){\"undefined\"!=typeof jQuery&&jQuery(t).trigger(r,n),e.emit(r,n)},t},triggerHandler:function(t,e,r){var n,i;\"undefined\"!=typeof jQuery&&(n=jQuery(t).triggerHandler(e,r));var o=t._ev;if(!o)return n;var a=o._events[e];if(!a)return n;\"function\"==typeof a&&(a=[a]);for(var s=a.pop(),l=0;l<a.length;l++)a[l](r);return i=s(r),void 0!==n?n:i},purge:function(t){return delete t._ev,delete t.on,delete t.once,delete t.removeListener,delete t.removeAllListeners,delete t.emit,t}};e.exports=i},{events:57}],563:[function(t,e,r){\"use strict\";function n(t,e){var r,n;for(r=0;r<t.length;r++){if(n=t[r],null!==n&&\"object\"==typeof n)return!1;void 0!==n&&(e[r]=n)}return!0}function i(t,e,r,s){var l,u,c,h,f,d,p,v=t[0],m=t.length;if(2===m&&a(v)&&a(t[1])&&0===v.length){if(p=n(t[1],v))return v;v.splice(0,v.length)}for(var g=1;m>g;g++){l=t[g];for(u in l)c=v[u],h=l[u],s&&a(h)?v[u]=h:e&&h&&(o(h)||(f=a(h)))?(f?(f=!1,d=c&&a(c)?c:[]):d=c&&o(c)?c:{},v[u]=i([d,h],e,r,s)):(\"undefined\"!=typeof h||r)&&(v[u]=h)}return v}var o=t(\"./is_plain_object.js\"),a=Array.isArray;r.extendFlat=function(){return i(arguments,!1,!1,!1)},r.extendDeep=function(){return i(arguments,!0,!1,!1)},r.extendDeepAll=function(){return i(arguments,!0,!0,!1)},r.extendDeepNoArrays=function(){return i(arguments,!0,!1,!0)}},{\"./is_plain_object.js\":569}],564:[function(t,e,r){\"use strict\";e.exports=function(t){for(var e=[],r=0;r<t.length;r++){var n=t[r];n.visible===!0&&e.push(n)}return e}},{}],565:[function(t,e,r){\"use strict\";function n(t,e){var r=l[t];return r(e)}function i(t){for(var e,r,n=0;n<s.length;n++)if(e=s[n],r=new RegExp(o[e]),r.test(t.toLowerCase()))return e;a.warn(\"Unrecognized country name: \"+t+\".\")}var o=t(\"country-regex\"),a=t(\"../lib\"),s=Object.keys(o),l={\"ISO-3\":a.identity,\"USA-states\":a.identity,\"country names\":i};r.locationToFeature=function(t,e,r){for(var i,o=n(t,e),s=0;s<r.length;s++)if(i=r[s],i.id===o)return i;a.warn([\"Location with id\",o,\"does not have a matching topojson feature at this resolution.\"].join(\" \"))}},{\"../lib\":568,\"country-regex\":114}],566:[function(t,e,r){\"use strict\";function n(t,e){var r=h(t);return r[3]*=e,r}function i(t){return s(t).isValid()?t:c}function o(t){return l(t)?t:f}function a(t,e,r){var a,s,l,h,d,p=t.color,v=Array.isArray(p),m=Array.isArray(e),g=[];if(a=void 0!==t.colorscale?u(t.colorscale,t.cmin,t.cmax):i,s=v?function(t,e){return void 0===t[e]?c:a(t[e])}:i,l=m?function(t,e){return void 0===t[e]?f:o(t[e])}:o,v||m)for(var y=0;r>y;y++)h=s(p,y),d=l(e,y),g[y]=n(h,d);else g=n(p,e);return g}var s=t(\"tinycolor2\"),l=t(\"fast-isnumeric\"),u=t(\"../components/colorscale/make_scale_function\"),c=t(\"../components/color/attributes\").defaultLine,h=t(\"./str2rgbarray\"),f=1;e.exports=a},{\"../components/color/attributes\":482,\"../components/colorscale/make_scale_function\":500,\"./str2rgbarray\":580,\"fast-isnumeric\":123,tinycolor2:454}],567:[function(t,e,r){\"use strict\";function n(t){for(var e=0;(e=t.indexOf(\"<sup>\",e))>=0;){var r=t.indexOf(\"</sup>\",e);if(e>r)break;t=t.slice(0,e)+l(t.slice(e+5,r))+t.slice(r+6)}return t}function i(t){return t.replace(/\\<br\\>/g,\"\\n\")}function o(t){return t.replace(/\\<.*\\>/g,\"\")}function a(t){for(var e=u.entityToUnicode,r=0;(r=t.indexOf(\"&\",r))>=0;){var n=t.indexOf(\";\",r);if(r>n)r+=1;else{var i=e[t.slice(r+1,n)];t=i?t.slice(0,r)+i+t.slice(n+1):t.slice(0,r)+t.slice(n+1)}}return t}function s(t){return\"\"+a(o(n(i(t))))}var l=t(\"superscript-text\"),u=t(\"../constants/string_mappings\");e.exports=s},{\"../constants/string_mappings\":555,\"superscript-text\":443}],568:[function(t,e,r){\"use strict\";var n=t(\"d3\"),i=e.exports={};i.nestedProperty=t(\"./nested_property\"),i.isPlainObject=t(\"./is_plain_object\");var o=t(\"./coerce\");i.valObjects=o.valObjects,i.coerce=o.coerce,i.coerce2=o.coerce2,i.coerceFont=o.coerceFont,i.validate=o.validate;var a=t(\"./dates\");i.dateTime2ms=a.dateTime2ms,i.isDateTime=a.isDateTime,i.ms2DateTime=a.ms2DateTime,i.parseDate=a.parseDate;var s=t(\"./search\");i.findBin=s.findBin,i.sorterAsc=s.sorterAsc,i.sorterDes=s.sorterDes,i.distinctVals=s.distinctVals,i.roundUp=s.roundUp;var l=t(\"./stats\");i.aggNums=l.aggNums,i.len=l.len,i.mean=l.mean,i.variance=l.variance,i.stdev=l.stdev,i.interp=l.interp;var u=t(\"./matrix\");i.init2dArray=u.init2dArray,i.transposeRagged=u.transposeRagged,i.dot=u.dot,i.translationMatrix=u.translationMatrix,i.rotationMatrix=u.rotationMatrix,i.rotationXYMatrix=u.rotationXYMatrix,i.apply2DTransform=u.apply2DTransform,i.apply2DTransform2=u.apply2DTransform2;var c=t(\"./extend\");i.extendFlat=c.extendFlat,i.extendDeep=c.extendDeep,i.extendDeepAll=c.extendDeepAll,i.extendDeepNoArrays=c.extendDeepNoArrays;var h=t(\"./loggers\");i.log=h.log,i.warn=h.warn,i.error=h.error,i.notifier=t(\"./notifier\"),i.swapAttrs=function(t,e,r,n){r||(r=\"x\"),n||(n=\"y\");for(var o=0;o<e.length;o++){var a=e[o],s=i.nestedProperty(t,a.replace(\"?\",r)),l=i.nestedProperty(t,a.replace(\"?\",n)),u=s.get();s.set(l.get()),l.set(u)}},i.pauseEvent=function(t){return t.stopPropagation&&t.stopPropagation(),t.preventDefault&&t.preventDefault(),t.cancelBubble=!0,!1},i.constrain=function(t,e,r){return e>r?Math.max(r,Math.min(e,t)):Math.max(e,Math.min(r,t))},i.bBoxIntersect=function(t,e,r){return r=r||0,t.left<=e.right+r&&e.left<=t.right+r&&t.top<=e.bottom+r&&e.top<=t.bottom+r},i.identity=function(t){return t},i.randstr=function f(t,e,r){if(r||(r=16),void 0===e&&(e=24),0>=e)return\"0\";var n,i,o,a=Math.log(Math.pow(2,e))/Math.log(r),s=\"\";for(n=2;a===1/0;n*=2)a=Math.log(Math.pow(2,e/n))/Math.log(r)*n;var l=a-Math.floor(a);for(n=0;n<Math.floor(a);n++)o=Math.floor(Math.random()*r).toString(r),s=o+s;l&&(i=Math.pow(r,l),o=Math.floor(Math.random()*i).toString(r),s=o+s);var u=parseInt(s,r);return t&&t.indexOf(s)>-1||u!==1/0&&u>=Math.pow(2,e)?f(t,e,r):s},i.OptionControl=function(t,e){t||(t={}),e||(e=\"opt\");var r={};return r.optionList=[],r._newoption=function(n){n[e]=t,r[n.name]=n,r.optionList.push(n)},r[\"_\"+e]=t,r},i.smooth=function(t,e){if(e=Math.round(e)||0,2>e)return t;var r,n,i,o,a=t.length,s=2*a,l=2*e-1,u=new Array(l),c=new Array(a);for(r=0;l>r;r++)u[r]=(1-Math.cos(Math.PI*(r+1)/e))/(2*e);for(r=0;a>r;r++){for(o=0,n=0;l>n;n++)i=r+n+1-e,-a>i?i-=s*Math.round(i/s):i>=s&&(i-=s*Math.floor(i/s)),0>i?i=-1-i:i>=a&&(i=s-1-i),o+=t[i]*u[n];c[r]=o}return c},i.syncOrAsync=function(t,e,r){function n(){return i.syncOrAsync(t,e,r)}for(var o,a;t.length;)if(a=t.splice(0,1)[0],o=a(e),o&&o.then)return o.then(n).then(void 0,i.promiseError);return r&&r(e)},i.stripTrailingSlash=function(t){return\"/\"===t.substr(-1)?t.substr(0,t.length-1):t},i.noneOrAll=function(t,e,r){if(t){var n,i,o=!1,a=!0;for(n=0;n<r.length;n++)i=t[r[n]],void 0!==i&&null!==i?o=!0:a=!1;if(o&&!a)for(n=0;n<r.length;n++)t[r[n]]=e[r[n]]}},i.pushUnique=function(t,e){return e&&-1===t.indexOf(e)&&t.push(e),t},i.mergeArray=function(t,e,r){if(Array.isArray(t))for(var n=Math.min(t.length,e.length),i=0;n>i;i++)e[i][r]=t[i]},i.minExtend=function(t,e){var r={};\"object\"!=typeof e&&(e={});var n,o,a,s=3,l=Object.keys(t);for(n=0;n<l.length;n++)o=l[n],a=t[o],\"_\"!==o.charAt(0)&&\"function\"!=typeof a&&(\"module\"===o?r[o]=a:Array.isArray(a)?r[o]=a.slice(0,s):a&&\"object\"==typeof a?r[o]=i.minExtend(t[o],e[o]):r[o]=a);for(l=Object.keys(e),n=0;n<l.length;n++)o=l[n],a=e[o],\"object\"==typeof a&&o in r&&\"object\"==typeof r[o]||(r[o]=a);return r},i.titleCase=function(t){return t.charAt(0).toUpperCase()+t.substr(1)},i.containsAny=function(t,e){for(var r=0;r<e.length;r++)if(-1!==t.indexOf(e[r]))return!0;return!1},i.getPlotDiv=function(t){for(;t&&t.removeAttribute;t=t.parentNode)if(i.isPlotDiv(t))return t},i.isPlotDiv=function(t){var e=n.select(t);return e.size()&&e.classed(\"js-plotly-plot\")},i.removeElement=function(t){var e=t&&t.parentNode;e&&e.removeChild(t)},i.addStyleRule=function(t,e){if(!i.styleSheet){var r=document.createElement(\"style\");r.appendChild(document.createTextNode(\"\")),document.head.appendChild(r),i.styleSheet=r.sheet}var n=i.styleSheet;n.insertRule?n.insertRule(t+\"{\"+e+\"}\",0):n.addRule?n.addRule(t,e,0):i.warn(\"addStyleRule failed\")},i.getTranslate=function(t){var e=/.*\\btranslate\\((\\d*\\.?\\d*)[^\\d]*(\\d*\\.?\\d*)[^\\d].*/,r=t.attr?\"attr\":\"getAttribute\",n=t[r](\"transform\")||\"\",i=n.replace(e,function(t,e,r){return[e,r].join(\" \")}).split(\" \");return{x:+i[0]||0,y:+i[1]||0}},i.setTranslate=function(t,e,r){var n=/(\\btranslate\\(.*?\\);?)/,i=t.attr?\"attr\":\"getAttribute\",o=t.attr?\"attr\":\"setAttribute\",a=t[i](\"transform\")||\"\";return e=e||0,r=r||0,a=a.replace(n,\"\").trim(),a+=\" translate(\"+e+\", \"+r+\")\",a=a.trim(),t[o](\"transform\",a),a},i.getScale=function(t){var e=/.*\\bscale\\((\\d*\\.?\\d*)[^\\d]*(\\d*\\.?\\d*)[^\\d].*/,r=t.attr?\"attr\":\"getAttribute\",n=t[r](\"transform\")||\"\",i=n.replace(e,function(t,e,r){return[e,r].join(\" \")}).split(\" \");return{x:+i[0]||1,y:+i[1]||1}},i.setScale=function(t,e,r){var n=/(\\bscale\\(.*?\\);?)/,i=t.attr?\"attr\":\"getAttribute\",o=t.attr?\"attr\":\"setAttribute\",a=t[i](\"transform\")||\"\";return e=e||1,r=r||1,a=a.replace(n,\"\").trim(),a+=\" scale(\"+e+\", \"+r+\")\",a=a.trim(),t[o](\"transform\",a),a},i.setPointGroupScale=function(t,e,r){var n,i,o;return e=e||1,r=r||1,i=1===e&&1===r?\"\":\" scale(\"+e+\",\"+r+\")\",o=/\\s*sc.*/,t.each(function(){n=(this.getAttribute(\"transform\")||\"\").replace(o,\"\"),n+=i,n=n.trim(),this.setAttribute(\"transform\",n)}),i},i.isIE=function(){return\"undefined\"!=typeof window.navigator.msSaveBlob},i.objectFromPath=function(t,e){for(var r,n=t.split(\".\"),i=r={},o=0;o<n.length;o++){var a=n[o],s=null,l=n[o].match(/(.*)\\[([0-9]+)\\]/);l?(a=l[1],s=l[2],r=r[a]=[],o===n.length-1?r[s]=e:r[s]={},r=r[s]):(o===n.length-1?r[a]=e:r[a]={},r=r[a])}return i},i.numSeparate=function(t,e){if(\"string\"!=typeof e||0===e.length)throw new Error(\"Separator string required for formatting!\");\"number\"==typeof t&&(t=String(t));var r=/(\\d+)(\\d{3})/,n=e.charAt(0),i=e.charAt(1),o=t.split(\".\"),a=o[0],s=o.length>1?n+o[1]:\"\";if(i&&(o.length>1||a.length>4))for(;r.test(a);)a=a.replace(r,\"$1\"+i+\"$2\");return a+s}},{\"./coerce\":560,\"./dates\":561,\"./extend\":563,\"./is_plain_object\":569,\"./loggers\":570,\"./matrix\":571,\"./nested_property\":572,\"./notifier\":573,\"./search\":576,\"./stats\":579,d3:119}],569:[function(t,e,r){\"use strict\";e.exports=function(t){return window&&window.process&&window.process.versions?\"[object Object]\"===Object.prototype.toString.call(t):\"[object Object]\"===Object.prototype.toString.call(t)&&Object.getPrototypeOf(t)===Object.prototype}},{}],570:[function(t,e,r){\"use strict\";var n=t(\"../plot_api/plot_config\"),i=e.exports={};i.log=function(){if(n.logging>1){for(var t=[\"LOG:\"],e=0;e<arguments.length;e++)t.push(arguments[e]);console.trace?console.trace.apply(console,t):console.log.apply(console,t)}},i.warn=function(){if(n.logging>0){for(var t=[\"WARN:\"],e=0;e<arguments.length;e++)t.push(arguments[e]);console.trace?console.trace.apply(console,t):console.log.apply(console,t)}},i.error=function(){if(n.logging>0){for(var t=[\"ERROR:\"],e=0;e<arguments.length;e++)t.push(arguments[e]);console.error.apply(console,arguments)}}},{\"../plot_api/plot_config\":584}],571:[function(t,e,r){\"use strict\";r.init2dArray=function(t,e){for(var r=new Array(t),n=0;t>n;n++)r[n]=new Array(e);return r},r.transposeRagged=function(t){var e,r,n=0,i=t.length;for(e=0;i>e;e++)n=Math.max(n,t[e].length);var o=new Array(n);for(e=0;n>e;e++)for(o[e]=new Array(i),r=0;i>r;r++)o[e][r]=t[r][e];return o},r.dot=function(t,e){if(!t.length||!e.length||t.length!==e.length)return null;var n,i,o=t.length;if(t[0].length)for(n=new Array(o),i=0;o>i;i++)n[i]=r.dot(t[i],e);else if(e[0].length){var a=r.transposeRagged(e);for(n=new Array(a.length),i=0;i<a.length;i++)n[i]=r.dot(t,a[i])}else for(n=0,i=0;o>i;i++)n+=t[i]*e[i];return n},r.translationMatrix=function(t,e){return[[1,0,t],[0,1,e],[0,0,1]]},r.rotationMatrix=function(t){var e=t*Math.PI/180;return[[Math.cos(e),-Math.sin(e),0],[Math.sin(e),Math.cos(e),0],[0,0,1]]},r.rotationXYMatrix=function(t,e,n){return r.dot(r.dot(r.translationMatrix(e,n),r.rotationMatrix(t)),r.translationMatrix(-e,-n))},r.apply2DTransform=function(t){return function(){var e=arguments;3===e.length&&(e=e[0]);var n=1===arguments.length?e[0]:[e[0],e[1]];return r.dot(t,[n[0],n[1],1]).slice(0,2)}},r.apply2DTransform2=function(t){var e=r.apply2DTransform(t);return function(t){return e(t.slice(0,2)).concat(e(t.slice(2,4)))}}},{}],572:[function(t,e,r){\"use strict\";function n(t,e){return function(){var r,i,o,a,s,l=t;for(a=0;a<e.length-1;a++){if(r=e[a],-1===r){for(i=!0,o=[],s=0;s<l.length;s++)o[s]=n(l[s],e.slice(a+1))(),o[s]!==o[0]&&(i=!1);return i?o[0]:o}if(\"number\"==typeof r&&!Array.isArray(l))return;if(l=l[r],\"object\"!=typeof l||null===l)return}if(\"object\"==typeof l&&null!==l&&(o=l[e[a]],null!==o))return o}}function i(t,e){var r=[\"annotations\",\"shapes\",\"range\",\"domain\",\"buttons\"],n=-1===r.indexOf(e);return Array.isArray(t)&&n}function o(t,e){return function(r){var n,o,c=t,h=[t],f=u(r)&&!i(r,e[e.length-1]);for(o=0;o<e.length-1;o++){if(n=e[o],\"number\"==typeof n&&!Array.isArray(c))throw\"array index but container is not an array\";if(-1===n){if(f=!a(c,e.slice(o+1),r))break;return}if(!s(c,n,e[o+1],f))break;if(c=c[n],\"object\"!=typeof c||null===c)throw\"container is not an object\";h.push(c)}f?(o===e.length-1&&delete c[e[o]],l(h)):c[e[o]]=r}}function a(t,e,r){var n,i=Array.isArray(r),a=!0,l=r,c=i?!1:u(r),h=e[0];for(n=0;n<t.length;n++)i&&(l=r[n%r.length],c=u(l)),c&&(a=!1),s(t,n,h,c)&&o(t[n],e)(l);return a}function s(t,e,r,n){if(void 0===t[e]){if(n)return!1;\"number\"==typeof r?t[e]=[]:t[e]={}}return!0}function l(t){var e,r,n,o,a;for(e=t.length-1;e>=0;e--){if(n=t[e],a=!1,Array.isArray(n))for(r=n.length-1;r>=0;r--)u(n[r])?a?n[r]=void 0:n.pop():a=!0;else if(\"object\"==typeof n&&null!==n)for(o=Object.keys(n),a=!1,r=o.length-1;r>=0;r--)u(n[o[r]])&&!i(n[o[r]],o[r])?delete n[o[r]]:a=!0;if(a)return}}function u(t){return void 0===t||null===t?!0:\"object\"!=typeof t?!1:Array.isArray(t)?!t.length:!Object.keys(t).length}function c(t,e,r){return{set:function(){throw\"bad container\"},get:function(){},astr:e,parts:r,obj:t}}var h=t(\"fast-isnumeric\");e.exports=function(t,e){if(h(e))e=String(e);else if(\"string\"!=typeof e||\"[-1]\"===e.substr(e.length-4))throw\"bad property string\";for(var r,i,a,s=0,l=e.split(\".\");s<l.length;){if(r=String(l[s]).match(/^([^\\[\\]]*)((\\[\\-?[0-9]*\\])+)$/)){if(r[1])l[s]=r[1];else{if(0!==s)throw\"bad property string\";l.splice(0,1)}for(i=r[2].substr(1,r[2].length-2).split(\"][\"),a=0;a<i.length;a++)s++,l.splice(s,0,Number(i[a]))}s++}return\"object\"!=typeof t?c(t,e,l):{set:o(t,l),get:n(t,l),astr:e,parts:l,obj:t}}},{\"fast-isnumeric\":123}],573:[function(t,e,r){\"use strict\";var n=t(\"d3\"),i=t(\"fast-isnumeric\"),o=[];e.exports=function(t,e){function r(t){t.duration(700).style(\"opacity\",0).each(\"end\",function(t){var e=o.indexOf(t);-1!==e&&o.splice(e,1),n.select(this).remove()})}if(-1===o.indexOf(t)){o.push(t);var a=1e3;i(e)?a=e:\"long\"===e&&(a=3e3);var s=n.select(\"body\").selectAll(\".plotly-notifier\").data([0]);s.enter().append(\"div\").classed(\"plotly-notifier\",!0);var l=s.selectAll(\".notifier-note\").data(o);l.enter().append(\"div\").classed(\"notifier-note\",!0).style(\"opacity\",0).each(function(t){var e=n.select(this);e.append(\"button\").classed(\"notifier-close\",!0).html(\"&times;\").on(\"click\",function(){e.transition().call(r)}),e.append(\"p\").html(t),e.transition().duration(700).style(\"opacity\",1).transition().delay(a).call(r)})}}},{d3:119,\"fast-isnumeric\":123}],574:[function(t,e,r){\"use strict\";var n=t(\"./matrix\").dot,i=e.exports={};i.tester=function(t){function e(t,e){var r=t[0],n=t[1];return i>r||r>o||a>n||n>s?!1:!e||!u(t)}function r(t,e){var r=t[0],l=t[1];if(i>r||r>o||a>l||l>s)return!1;var u,c,h,f,d,p=n.length,v=n[0][0],m=n[0][1],g=0;for(u=1;p>u;u++)if(c=v,h=m,v=n[u][0],m=n[u][1],f=Math.min(c,v),!(f>r||r>Math.max(c,v)||l>Math.max(h,m)))if(l<Math.min(h,m))r!==f&&g++;else{if(d=v===c?l:h+(r-c)*(m-h)/(v-c),l===d)return 1!==u||!e;d>=l&&r!==f&&g++}return g%2===1}var n=t.slice(),i=n[0][0],o=i,a=n[0][1],s=a;n.push(n[0]);for(var l=1;l<n.length;l++)i=Math.min(i,n[l][0]),o=Math.max(o,n[l][0]),a=Math.min(a,n[l][1]),s=Math.max(s,n[l][1]);var u,c=!1;return 5===n.length&&(n[0][0]===n[1][0]?n[2][0]===n[3][0]&&n[0][1]===n[3][1]&&n[1][1]===n[2][1]&&(c=!0,u=function(t){return t[0]===n[0][0]}):n[0][1]===n[1][1]&&n[2][1]===n[3][1]&&n[0][0]===n[3][0]&&n[1][0]===n[2][0]&&(c=!0,u=function(t){return t[1]===n[0][1]})),{xmin:i,xmax:o,ymin:a,ymax:s,pts:n,contains:c?e:r,isRect:c}};var o=i.isSegmentBent=function(t,e,r,i){var o,a,s,l=t[e],u=[t[r][0]-l[0],t[r][1]-l[1]],c=n(u,u),h=Math.sqrt(c),f=[-u[1]/h,u[0]/h];for(o=e+1;r>o;o++)if(a=[t[o][0]-l[0],t[o][1]-l[1]],s=n(a,u),0>s||s>c||Math.abs(n(a,f))>i)return!0;return!1};i.filter=function(t,e){function r(r){t.push(r);var s=n.length,l=i;n.splice(a+1);for(var u=l+1;u<t.length;u++)(u===t.length-1||o(t,l,u+1,e))&&(n.push(t[u]),n.length<s-2&&(i=u,a=n.length-1),l=u)}var n=[t[0]],i=0,a=0;if(t.length>1){var s=t.pop();r(s)}return{addPt:r,raw:t,filtered:n}}},{\"./matrix\":571}],575:[function(t,e,r){\"use strict\";function n(t,e){for(var r,n=[],o=0;o<e.length;o++)r=e[o],r===t?n[o]=r:\"object\"==typeof r?n[o]=Array.isArray(r)?i.extendDeep([],r):i.extendDeepAll({},r):n[o]=r;return n}var i=t(\"../lib\"),o=t(\"../plot_api/plot_config\"),a={};a.add=function(t,e,r,n,i){var a,s;return t.undoQueue=t.undoQueue||{index:0,queue:[],sequence:!1},s=t.undoQueue.index,t.autoplay?void(t.undoQueue.inSequence||(t.autoplay=!1)):(!t.undoQueue.sequence||t.undoQueue.beginSequence?(a={undo:{calls:[],args:[]},redo:{calls:[],args:[]}},t.undoQueue.queue.splice(s,t.undoQueue.queue.length-s,a),t.undoQueue.index+=1):a=t.undoQueue.queue[s-1],t.undoQueue.beginSequence=!1,a&&(a.undo.calls.unshift(e),a.undo.args.unshift(r),a.redo.calls.push(n),a.redo.args.push(i)),void(t.undoQueue.queue.length>o.queueLength&&(t.undoQueue.queue.shift(),t.undoQueue.index--)))},a.startSequence=function(t){t.undoQueue=t.undoQueue||{index:0,queue:[],sequence:!1},t.undoQueue.sequence=!0,t.undoQueue.beginSequence=!0},a.stopSequence=function(t){t.undoQueue=t.undoQueue||{index:0,queue:[],sequence:!1},t.undoQueue.sequence=!1,t.undoQueue.beginSequence=!1},a.undo=function(t){var e,r;if(t.framework&&t.framework.isPolar)return void t.framework.undo();if(!(void 0===t.undoQueue||isNaN(t.undoQueue.index)||t.undoQueue.index<=0)){for(t.undoQueue.index--,e=t.undoQueue.queue[t.undoQueue.index],t.undoQueue.inSequence=!0,r=0;r<e.undo.calls.length;r++)a.plotDo(t,e.undo.calls[r],e.undo.args[r]);t.undoQueue.inSequence=!1,t.autoplay=!1}},a.redo=function(t){var e,r;if(t.framework&&t.framework.isPolar)return void t.framework.redo();if(!(void 0===t.undoQueue||isNaN(t.undoQueue.index)||t.undoQueue.index>=t.undoQueue.queue.length)){for(e=t.undoQueue.queue[t.undoQueue.index],t.undoQueue.inSequence=!0,r=0;r<e.redo.calls.length;r++)a.plotDo(t,e.redo.calls[r],e.redo.args[r]);t.undoQueue.inSequence=!1,t.autoplay=!1,t.undoQueue.index++}},a.plotDo=function(t,e,r){t.autoplay=!0,r=n(t,r),e.apply(null,r)},e.exports=a},{\"../lib\":568,\"../plot_api/plot_config\":584}],576:[function(t,e,r){\"use strict\";function n(t,e){return e>t}function i(t,e){return e>=t}function o(t,e){return t>e}function a(t,e){return t>=e}var s=t(\"fast-isnumeric\"),l=t(\"../lib\");r.findBin=function(t,e,r){if(s(e.start))return r?Math.ceil((t-e.start)/e.size)-1:Math.floor((t-e.start)/e.size);var u,c,h=0,f=e.length,d=0;for(c=e[e.length-1]>=e[0]?r?n:i:r?a:o;f>h&&d++<100;)u=Math.floor((h+f)/2),c(e[u],t)?h=u+1:f=u;return d>90&&l.log(\"Long binary search...\"),h-1},r.sorterAsc=function(t,e){return t-e},r.sorterDes=function(t,e){return e-t},r.distinctVals=function(t){var e=t.slice();e.sort(r.sorterAsc);for(var n=e.length-1,i=e[n]-e[0]||1,o=i/(n||1)/1e4,a=[e[0]],s=0;n>s;s++)e[s+1]>e[s]+o&&(i=Math.min(i,e[s+1]-e[s]),a.push(e[s+1]));return{vals:a,minDiff:i}},r.roundUp=function(t,e,r){for(var n,i=0,o=e.length-1,a=0,s=r?0:1,l=r?1:0,u=r?Math.ceil:Math.floor;o>i&&a++<100;)n=u((i+o)/2),e[n]<=t?i=n+s:o=n-l;return e[i]}},{\"../lib\":568,\"fast-isnumeric\":123}],577:[function(t,e,r){\"use strict\";e.exports=function(t,e){(t.attr(\"class\")||\"\").split(\" \").forEach(function(e){0===e.indexOf(\"cursor-\")&&t.classed(e,!1)}),e&&t.classed(\"cursor-\"+e,!0)}},{}],578:[function(t,e,r){\"use strict\";var n=t(\"../components/color\"),i=function(){};e.exports=function(t){for(var e in t)\"function\"==typeof t[e]&&(t[e]=i);t.destroy=function(){t.container.parentNode.removeChild(t.container)};var r=document.createElement(\"div\");return r.textContent=\"Webgl is not supported by your browser - visit http://get.webgl.org for more info\",r.style.cursor=\"pointer\",r.style.fontSize=\"24px\",r.style.color=n.defaults[0],t.container.appendChild(r),t.container.style.background=\"#FFFFFF\",t.container.onclick=function(){window.open(\"http://get.webgl.org\")},!1}},{\"../components/color\":483}],579:[function(t,e,r){\"use strict\";var n=t(\"fast-isnumeric\");r.aggNums=function(t,e,i,o){var a,s;if(o||(o=i.length),n(e)||(e=!1),Array.isArray(i[0])){for(s=new Array(o),a=0;o>a;a++)s[a]=r.aggNums(t,e,i[a]);i=s}for(a=0;o>a;a++)n(e)?n(i[a])&&(e=t(+e,+i[a])):e=i[a];return e},r.len=function(t){return r.aggNums(function(t){return t+1},0,t)},r.mean=function(t,e){return e||(e=r.len(t)),r.aggNums(function(t,e){return t+e},0,t)/e},r.variance=function(t,e,i){return e||(e=r.len(t)),n(i)||(i=r.mean(t,e)),r.aggNums(function(t,e){return t+Math.pow(e-i,2)},0,t)/e},r.stdev=function(t,e,n){return Math.sqrt(r.variance(t,e,n))},r.interp=function(t,e){if(!n(e))throw\"n should be a finite number\";if(e=e*t.length-.5,0>e)return t[0];if(e>t.length-1)return t[t.length-1];var r=e%1;return r*t[Math.ceil(e)]+(1-r)*t[Math.floor(e)]}},{\"fast-isnumeric\":123}],580:[function(t,e,r){\"use strict\";function n(t){return t=i(t),o.str2RgbaArray(t.toRgbString())}var i=t(\"tinycolor2\"),o=t(\"arraytools\");e.exports=n},{arraytools:50,tinycolor2:454}],581:[function(t,e,r){\"use strict\";function n(t,e){return t.node().getBoundingClientRect()[e]}function i(t){return t.replace(/(<|&lt;|&#60;)/g,\"\\\\lt \").replace(/(>|&gt;|&#62;)/g,\"\\\\gt \")}function o(t,e,r){var n=\"math-output-\"+f.randstr([],64),o=h.select(\"body\").append(\"div\").attr({id:n}).style({visibility:\"hidden\",position:\"absolute\"}).style({\"font-size\":e.fontSize+\"px\"}).text(i(t));MathJax.Hub.Queue([\"Typeset\",MathJax.Hub,o.node()],function(){var e=h.select(\"body\").select(\"#MathJax_SVG_glyphs\");if(o.select(\".MathJax_SVG\").empty()||!o.select(\"svg\").node())f.log(\"There was an error in the tex syntax.\",t),r();else{var n=o.select(\"svg\").node().getBoundingClientRect();r(o.select(\".MathJax_SVG\"),e,n)}o.remove()})}function a(t,e){for(var r=t||\"\",n=0;n<e.length;n++){var i=e[n];r=r.replace(i.regExp,i.sub)}return r}function s(t){return a(t,y)}function l(t){return a(t,b)}function u(t){t=s(t);for(var e=t.split(/(<[^<>]*>)/).map(function(t){var e=t.match(/<(\\/?)([^ >]*)\\s*(.*)>/i),n=e&&e[2].toLowerCase(),i=v[n];if(void 0!==i){var o=e[1],a=e[3],s=a.match(/^style\\s*=\\s*\"([^\"]+)\"\\s*/i);if(\"a\"===n){if(o)return\"</a>\";if(\"href\"!==a.substr(0,4).toLowerCase())return\"<a>\";var u=a.substr(4).replace(/[\"']/g,\"\").replace(/=/,\"\"),c=document.createElement(\"a\");return c.href=u,-1===m.indexOf(c.protocol)?\"<a>\":'<a xlink:show=\"new\" xlink:href=\"'+l(u)+'\">'}if(\"br\"===n)return\"<br>\";if(o)return\"sup\"===n?'</tspan><tspan dy=\"0.42em\">&#x200b;</tspan>':\"sub\"===n?'</tspan><tspan dy=\"-0.21em\">&#x200b;</tspan>':\"</tspan>\";var h=\"<tspan\";return\"sup\"!==n&&\"sub\"!==n||(h=\"&#x200b;\"+h),s&&(s=s[1].replace(/(^|;)\\s*color:/,\"$1 fill:\"),i=(i?i+\";\":\"\")+l(s)),h+(i?' style=\"'+i+'\"':\"\")+\">\"}return r.xml_entity_encode(t).replace(/</g,\"&lt;\")}),n=[],i=e.indexOf(\"<br>\");i>0;i=e.indexOf(\"<br>\",i+1))n.push(i);var o=0;n.forEach(function(t){for(var r=t+o,n=e.slice(0,r),i=\"\",a=n.length-1;a>=0;a--){var s=n[a].match(/<(\\/?).*>/i);if(s&&\"<br>\"!==n[a]){s[1]||(i=n[a]);break}}i&&(e.splice(r+1,0,i),e.splice(r,0,\"</tspan>\"),o+=2)});var a=e.join(\"\"),u=a.split(/<br>/gi);return u.length>1&&(e=u.map(function(t,e){return'<tspan class=\"line\" dy=\"'+1.3*e+'em\">'+t+\"</tspan>\"})),e.join(\"\")}function c(t,e,r){var n,i,o,a=r.horizontalAlign,s=r.verticalAlign||\"top\",l=t.node().getBoundingClientRect(),u=e.node().getBoundingClientRect();return i=\"bottom\"===s?function(){return l.bottom-n.height}:\"middle\"===s?function(){return l.top+(l.height-n.height)/2}:function(){return l.top},o=\"right\"===a?function(){return l.right-n.width}:\"center\"===a?function(){return l.left+(l.width-n.width)/2}:function(){return l.left},function(){return n=this.node().getBoundingClientRect(),this.style({top:i()-u.top+\"px\",left:o()-u.left+\"px\",\"z-index\":1e3}),this}}var h=t(\"d3\"),f=t(\"../lib\"),d=t(\"../constants/xmlns_namespaces\"),p=t(\"../constants/string_mappings\");h.selection.prototype.appendSVG=function(t){for(var e=['<svg xmlns=\"',d.svg,'\" ','xmlns:xlink=\"',d.xlink,'\">',t,\"</svg>\"].join(\"\"),r=(new DOMParser).parseFromString(e,\"application/xml\"),n=r.documentElement.firstChild;n;)this.node().appendChild(this.node().ownerDocument.importNode(n,!0)),n=n.nextSibling;return r.querySelector(\"parsererror\")?(f.log(r.querySelector(\"parsererror div\").textContent),\nnull):h.select(this.node().lastChild)},r.html_entity_decode=function(t){var e=h.select(\"body\").append(\"div\").style({display:\"none\"}).html(\"\"),r=t.replace(/(&[^;]*;)/gi,function(t){return\"&lt;\"===t?\"&#60;\":\"&rt;\"===t?\"&#62;\":e.html(t).text()});return e.remove(),r},r.xml_entity_encode=function(t){return t.replace(/&(?!\\w+;|\\#[0-9]+;| \\#x[0-9A-F]+;)/g,\"&amp;\")},r.convertToTspans=function(t,e){function r(){d.empty()||(p=s.attr(\"class\")+\"-math\",d.select(\"svg.\"+p).remove()),t.text(\"\").style({visibility:\"visible\",\"white-space\":\"pre\"}),c=t.appendSVG(a),c||t.text(i),t.select(\"a\").size()&&t.style(\"pointer-events\",\"all\"),e&&e.call(s)}var i=t.text(),a=u(i),s=t,l=!s.attr(\"data-notex\")&&a.match(/([^$]*)([$]+[^$]*[$]+)([^$]*)/),c=i,d=h.select(s.node().parentNode);if(!d.empty()){var p=s.attr(\"class\")?s.attr(\"class\").split(\" \")[0]:\"text\";p+=\"-math\",d.selectAll(\"svg.\"+p).remove(),d.selectAll(\"g.\"+p+\"-group\").remove(),t.style({visibility:null});for(var v=t.node();v&&v.removeAttribute;v=v.parentNode)v.removeAttribute(\"data-bb\");if(l){var m=f.getPlotDiv(s.node());(m&&m._promises||[]).push(new Promise(function(t){s.style({visibility:\"hidden\"});var i={fontSize:parseInt(s.style(\"font-size\"),10)};o(l[2],i,function(i,o,a){d.selectAll(\"svg.\"+p).remove(),d.selectAll(\"g.\"+p+\"-group\").remove();var l=i&&i.select(\"svg\");if(!l||!l.node())return r(),void t();var u=d.append(\"g\").classed(p+\"-group\",!0).attr({\"pointer-events\":\"none\"});u.node().appendChild(l.node()),o&&o.node()&&l.node().insertBefore(o.node().cloneNode(!0),l.node().firstChild),l.attr({\"class\":p,height:a.height,preserveAspectRatio:\"xMinYMin meet\"}).style({overflow:\"visible\",\"pointer-events\":\"none\"});var c=s.style(\"fill\")||\"black\";l.select(\"g\").attr({fill:c,stroke:c});var h=n(l,\"width\"),f=n(l,\"height\"),v=+s.attr(\"x\")-h*{start:0,middle:.5,end:1}[s.attr(\"text-anchor\")||\"start\"],m=parseInt(s.style(\"font-size\"),10)||n(s,\"height\"),g=-m/4;\"y\"===p[0]?(u.attr({transform:\"rotate(\"+[-90,+s.attr(\"x\"),+s.attr(\"y\")]+\") translate(\"+[-h/2,g-f/2]+\")\"}),l.attr({x:+s.attr(\"x\"),y:+s.attr(\"y\")})):\"l\"===p[0]?l.attr({x:s.attr(\"x\"),y:g-f/2}):\"a\"===p[0]?l.attr({x:0,y:g}):l.attr({x:v,y:+s.attr(\"y\")+g-f/2}),e&&e.call(s,u),t(u)})}))}else r();return t}};var v={sup:'font-size:70%\" dy=\"-0.6em',sub:'font-size:70%\" dy=\"0.3em',b:\"font-weight:bold\",i:\"font-style:italic\",a:\"\",span:\"\",br:\"\",em:\"font-style:italic;font-weight:bold\"},m=[\"http:\",\"https:\",\"mailto:\"],g=new RegExp(\"</?(\"+Object.keys(v).join(\"|\")+\")( [^>]*)?/?>\",\"g\"),y=Object.keys(p.entityToUnicode).map(function(t){return{regExp:new RegExp(\"&\"+t+\";\",\"g\"),sub:p.entityToUnicode[t]}}),b=Object.keys(p.unicodeToEntity).map(function(t){return{regExp:new RegExp(t,\"g\"),sub:\"&\"+p.unicodeToEntity[t]+\";\"}});r.plainText=function(t){return(t||\"\").replace(g,\" \")},r.makeEditable=function(t,e,r){function n(){o(),a.style({opacity:0});var t,e=u.attr(\"class\");t=e?\".\"+e.split(\" \")[0]+\"-math-group\":\"[class*=-math-group]\",t&&h.select(a.node().parentNode).select(t).style({opacity:0})}function i(t){var e=t.node(),r=document.createRange();r.selectNodeContents(e);var n=window.getSelection();n.removeAllRanges(),n.addRange(r),e.focus()}function o(){var t=h.select(f.getPlotDiv(a.node())),e=t.select(\".svg-container\"),n=e.append(\"div\");n.classed(\"plugin-editable editable\",!0).style({position:\"absolute\",\"font-family\":a.style(\"font-family\")||\"Arial\",\"font-size\":a.style(\"font-size\")||12,color:r.fill||a.style(\"fill\")||\"black\",opacity:1,\"background-color\":r.background||\"transparent\",outline:\"#ffffff33 1px solid\",margin:[-parseFloat(a.style(\"font-size\"))/8+1,0,0,-1].join(\"px \")+\"px\",padding:\"0\",\"box-sizing\":\"border-box\"}).attr({contenteditable:!0}).text(r.text||a.attr(\"data-unformatted\")).call(c(a,e,r)).on(\"blur\",function(){a.text(this.textContent).style({opacity:1});var t,e=h.select(this).attr(\"class\");t=e?\".\"+e.split(\" \")[0]+\"-math-group\":\"[class*=-math-group]\",t&&h.select(a.node().parentNode).select(t).style({opacity:0});var r=this.textContent;h.select(this).transition().duration(0).remove(),h.select(document).on(\"mouseup\",null),s.edit.call(a,r)}).on(\"focus\",function(){var t=this;h.select(document).on(\"mouseup\",function(){return h.event.target===t?!1:void(document.activeElement===n.node()&&n.node().blur())})}).on(\"keyup\",function(){27===h.event.which?(a.style({opacity:1}),h.select(this).style({opacity:0}).on(\"blur\",function(){return!1}).transition().remove(),s.cancel.call(a,this.textContent)):(s.input.call(a,this.textContent),h.select(this).call(c(a,e,r)))}).on(\"keydown\",function(){13===h.event.which&&this.blur()}).call(i)}r||(r={});var a=this,s=h.dispatch(\"edit\",\"input\",\"cancel\"),l=h.select(this.node()).style({\"pointer-events\":\"all\"}),u=e||l;return e&&l.style({\"pointer-events\":\"none\"}),r.immediate?n():u.on(\"click\",n),h.rebind(this,s,\"on\")}},{\"../constants/string_mappings\":555,\"../constants/xmlns_namespaces\":556,\"../lib\":568,d3:119}],582:[function(t,e,r){\"use strict\";var n=e.exports={},i=t(\"../plots/geo/constants\").locationmodeToLayer,o=t(\"topojson\").feature;n.getTopojsonName=function(t){return[t.scope.replace(/ /g,\"-\"),\"_\",t.resolution.toString(),\"m\"].join(\"\")},n.getTopojsonPath=function(t,e){return t+e+\".json\"},n.getTopojsonFeatures=function(t,e){var r=i[t.locationmode],n=e.objects[r];return o(e,n).features}},{\"../plots/geo/constants\":611,topojson:455}],583:[function(t,e,r){\"use strict\";function n(t){var e;if(\"string\"==typeof t){if(e=document.getElementById(t),null===e)throw new Error(\"No DOM element with id '\"+t+\"' exists on the page.\");return e}if(null===t||void 0===t)throw new Error(\"DOM element provided is null or undefined\");return t}function i(t){Array.isArray(t._promises)&&t._promises.length>0&&R.log(\"Clearing previous rejected promises from queue.\"),t._promises=[]}function o(t,e){t._fullLayout._paperdiv.style(\"background\",\"white\"),C.defaultConfig.setBackground(t,e)}function a(t,e){t._context||(t._context=R.extendFlat({},C.defaultConfig));var r=t._context;e&&(Object.keys(e).forEach(function(t){t in r&&(\"setBackground\"===t&&\"opaque\"===e[t]?r[t]=o:r[t]=e[t])}),e.plot3dPixelRatio&&!r.plotGlPixelRatio&&(r.plotGlPixelRatio=r.plot3dPixelRatio)),r.staticPlot&&(r.editable=!1,r.autosizable=!1,r.scrollZoom=!1,r.doubleClick=!1,r.showTips=!1,r.showLink=!1,r.displayModeBar=!1)}function s(t,e,r){var n=z.select(t).selectAll(\".plot-container\").data([0]);n.enter().insert(\"div\",\":first-child\").classed(\"plot-container plotly\",!0);var i=n.selectAll(\".svg-container\").data([0]);i.enter().append(\"div\").classed(\"svg-container\",!0).style(\"position\",\"relative\"),i.html(\"\"),e&&(t.data=e),r&&(t.layout=r),C.micropolar.manager.fillLayout(t),\"initial\"===t._fullLayout.autosize&&t._context.autosizable&&(M(t,{}),t._fullLayout.autosize=r.autosize=!0),i.style({width:t._fullLayout.width+\"px\",height:t._fullLayout.height+\"px\"}),t.framework=C.micropolar.manager.framework(t),t.framework({data:t.data,layout:t.layout},i.node()),t.framework.setUndoPoint();var o=t.framework.svg(),a=1,s=t._fullLayout.title;\"\"!==s&&s||(a=0);var l=\"Click to enter title\",u=function(){this.call(C.util.convertToTspans)},c=o.select(\".title-group text\").call(u);if(t._context.editable){c.attr({\"data-unformatted\":s}),s&&s!==l||(a=.2,c.attr({\"data-unformatted\":l}).text(l).style({opacity:a}).on(\"mouseover.opacity\",function(){z.select(this).transition().duration(100).style(\"opacity\",1)}).on(\"mouseout.opacity\",function(){z.select(this).transition().duration(1e3).style(\"opacity\",0)}));var h=function(){this.call(C.util.makeEditable).on(\"edit\",function(e){t.framework({layout:{title:e}}),this.attr({\"data-unformatted\":e}).text(e).call(u),this.call(h)}).on(\"cancel\",function(){var t=this.attr(\"data-unformatted\");this.text(t).call(u)})};c.call(h)}return t._context.setBackground(t,t._fullLayout.paper_bgcolor),F.addLinks(t),Promise.resolve()}function l(t){var e,r;t||(t={}),t.xaxis1&&(t.xaxis||(t.xaxis=t.xaxis1),delete t.xaxis1),t.yaxis1&&(t.yaxis||(t.yaxis=t.yaxis1),delete t.yaxis1);var n=C.Axes.list({_fullLayout:t});for(e=0;e<n.length;e++){var i=n[e];i.anchor&&\"free\"!==i.anchor&&(i.anchor=C.Axes.cleanId(i.anchor)),i.overlaying&&(i.overlaying=C.Axes.cleanId(i.overlaying)),i.type||(i.isdate?i.type=\"date\":i.islog?i.type=\"log\":i.isdate===!1&&i.islog===!1&&(i.type=\"linear\")),\"withzero\"!==i.autorange&&\"tozero\"!==i.autorange||(i.autorange=!0,i.rangemode=\"tozero\"),delete i.islog,delete i.isdate,delete i.categories,f(i,\"domain\")&&delete i.domain,void 0!==i.autotick&&(void 0===i.tickmode&&(i.tickmode=i.autotick?\"auto\":\"linear\"),delete i.autotick)}void 0===t.annotations||Array.isArray(t.annotations)||(R.warn(\"Annotations must be an array.\"),delete t.annotations);var o=(t.annotations||[]).length;for(e=0;o>e;e++){var a=t.annotations[e];a.ref&&(\"paper\"===a.ref?(a.xref=\"paper\",a.yref=\"paper\"):\"data\"===a.ref&&(a.xref=\"x\",a.yref=\"y\"),delete a.ref),u(a,\"xref\"),u(a,\"yref\")}void 0===t.shapes||Array.isArray(t.shapes)||(R.warn(\"Shapes must be an array.\"),delete t.shapes);var s=(t.shapes||[]).length;for(e=0;s>e;e++){var l=t.shapes[e];u(l,\"xref\"),u(l,\"yref\")}var c=t.legend;c&&(c.x>3?(c.x=1.02,c.xanchor=\"left\"):c.x<-2&&(c.x=-.02,c.xanchor=\"right\"),c.y>3?(c.y=1.02,c.yanchor=\"bottom\"):c.y<-2&&(c.y=-.02,c.yanchor=\"top\")),\"rotate\"===t.dragmode&&(t.dragmode=\"orbit\"),t.scene1&&(t.scene||(t.scene=t.scene1),delete t.scene1);var h=F.getSubplotIds(t,\"gl3d\");for(e=0;e<h.length;e++){var d=t[h[e]],p=d.cameraposition;if(Array.isArray(p)&&4===p[0].length){var v=p[0],m=p[1],g=p[2],y=I([],v),b=[];for(r=0;3>r;++r)b[r]=m[e]+g*y[2+4*r];d.camera={eye:{x:b[0],y:b[1],z:b[2]},center:{x:m[0],y:m[1],z:m[2]},up:{x:y[1],y:y[5],z:y[9]}},delete d.cameraposition}}return N.clean(t),t}function u(t,e){var r=t[e],n=e.charAt(0);r&&\"paper\"!==r&&(t[e]=C.Axes.cleanId(r,n))}function c(t,e){for(var r=[],n=(t.concat(Array.isArray(e)?e:[]).filter(function(t){return\"uid\"in t}).map(function(t){return t.uid})),i=0;i<t.length;i++){var o,a=t[i];if(!(\"uid\"in a)||-1!==r.indexOf(a.uid)){var s;for(o=0;100>o&&(s=R.randstr(n),-1!==r.indexOf(s));o++);a.uid=R.randstr(n),n.push(a.uid)}if(r.push(a.uid),\"histogramy\"===a.type&&\"xbins\"in a&&!(\"ybins\"in a)&&(a.ybins=a.xbins,delete a.xbins),a.error_y&&\"opacity\"in a.error_y){var l=N.defaults,u=a.error_y.color||(F.traceIs(a,\"bar\")?N.defaultLine:l[i%l.length]);a.error_y.color=N.addOpacity(N.rgb(u),N.opacity(u)*a.error_y.opacity),delete a.error_y.opacity}if(\"bardir\"in a&&(\"h\"!==a.bardir||!F.traceIs(a,\"bar\")&&\"histogram\"!==a.type.substr(0,9)||(a.orientation=\"h\",_(a)),delete a.bardir),\"histogramy\"===a.type&&_(a),\"histogramx\"!==a.type&&\"histogramy\"!==a.type||(a.type=\"histogram\"),\"scl\"in a&&(a.colorscale=a.scl,delete a.scl),\"reversescl\"in a&&(a.reversescale=a.reversescl,delete a.reversescl),a.xaxis&&(a.xaxis=C.Axes.cleanId(a.xaxis,\"x\")),a.yaxis&&(a.yaxis=C.Axes.cleanId(a.yaxis,\"y\")),F.traceIs(a,\"gl3d\")&&a.scene&&(a.scene=F.subplotsRegistry.gl3d.cleanId(a.scene)),F.traceIs(a,\"pie\")||(Array.isArray(a.textposition)?a.textposition=a.textposition.map(h):a.textposition&&(a.textposition=h(a.textposition))),F.traceIs(a,\"2dMap\")&&(\"YIGnBu\"===a.colorscale&&(a.colorscale=\"YlGnBu\"),\"YIOrRd\"===a.colorscale&&(a.colorscale=\"YlOrRd\")),F.traceIs(a,\"markerColorscale\")&&a.marker){var c=a.marker;\"YIGnBu\"===c.colorscale&&(c.colorscale=\"YlGnBu\"),\"YIOrRd\"===c.colorscale&&(c.colorscale=\"YlOrRd\")}if(\"surface\"===a.type&&R.isPlainObject(a.contours)){var d=[\"x\",\"y\",\"z\"];for(o=0;o<d.length;o++){var p=a.contours[d[o]];R.isPlainObject(p)&&(p.highlightColor&&(p.highlightcolor=p.highlightColor,delete p.highlightColor),p.highlightWidth&&(p.highlightwidth=p.highlightWidth,delete p.highlightWidth))}}f(a,\"line\")&&delete a.line,\"marker\"in a&&(f(a.marker,\"line\")&&delete a.marker.line,f(a,\"marker\")&&delete a.marker),N.clean(a)}}function h(t){var e=\"middle\",r=\"center\";return-1!==t.indexOf(\"top\")?e=\"top\":-1!==t.indexOf(\"bottom\")&&(e=\"bottom\"),-1!==t.indexOf(\"left\")?r=\"left\":-1!==t.indexOf(\"right\")&&(r=\"right\"),e+\" \"+r}function f(t,e){return e in t&&\"object\"==typeof t[e]&&0===Object.keys(t[e]).length}function d(t){var e,r=C.Axes.list(t),n=t._fullData,i=t._fullLayout,o=t.calcdata=new Array(n.length);for(t.firstscatter=!0,t.numboxes=0,t._hmpixcount=0,t._hmlumcount=0,i._piecolormap={},i._piedefaultcolorcount=0,e=0;e<r.length;e++)r[e]._categories=r[e]._initialCategories.slice();for(e=0;e<n.length;e++){var a=n[e],s=a._module,l=[];s&&a.visible===!0&&s.calc&&(l=s.calc(t,a)),Array.isArray(l)&&l[0]||(l=[{x:!1,y:!1}]),l[0].t||(l[0].t={}),l[0].trace=a,o[e]=l}}function p(t,e){var r,n,i=e+1,o=[];for(r=0;r<t.length;r++)n=t[r],0>n?o.push(i+n):o.push(n);return o}function v(t,e,r){var n,i;for(n=0;n<e.length;n++){if(i=e[n],i!==parseInt(i,10))throw new Error(\"all values in \"+r+\" must be integers\");if(i>=t.data.length||i<-t.data.length)throw new Error(r+\" must be valid indices for gd.data.\");if(e.indexOf(i,n+1)>-1||i>=0&&e.indexOf(-t.data.length+i)>-1||0>i&&e.indexOf(t.data.length+i)>-1)throw new Error(\"each index in \"+r+\" must be unique.\")}}function m(t,e,r){if(!Array.isArray(t.data))throw new Error(\"gd.data must be an array.\");if(\"undefined\"==typeof e)throw new Error(\"currentIndices is a required argument.\");if(Array.isArray(e)||(e=[e]),v(t,e,\"currentIndices\"),\"undefined\"==typeof r||Array.isArray(r)||(r=[r]),\"undefined\"!=typeof r&&v(t,r,\"newIndices\"),\"undefined\"!=typeof r&&e.length!==r.length)throw new Error(\"current and new indices must be of equal length.\")}function g(t,e,r){var n,i;if(!Array.isArray(t.data))throw new Error(\"gd.data must be an array.\");if(\"undefined\"==typeof e)throw new Error(\"traces must be defined.\");for(Array.isArray(e)||(e=[e]),n=0;n<e.length;n++)if(i=e[n],\"object\"!=typeof i||Array.isArray(i)||null===i)throw new Error(\"all values in traces array must be non-array objects\");if(\"undefined\"==typeof r||Array.isArray(r)||(r=[r]),\"undefined\"!=typeof r&&r.length!==e.length)throw new Error(\"if indices is specified, traces.length must equal indices.length\")}function y(t,e,r,n){var i=R.isPlainObject(n);if(!Array.isArray(t.data))throw new Error(\"gd.data must be an array\");if(!R.isPlainObject(e))throw new Error(\"update must be a key:value object\");if(\"undefined\"==typeof r)throw new Error(\"indices must be an integer or array of integers\");v(t,r,\"indices\");for(var o in e){if(!Array.isArray(e[o])||e[o].length!==r.length)throw new Error(\"attribute \"+o+\" must be an array of length equal to indices array length\");if(i&&(!(o in n)||!Array.isArray(n[o])||n[o].length!==e[o].length))throw new Error(\"when maxPoints is set as a key:value object it must contain a 1:1 corrispondence with the keys and number of traces in the update object\")}}function b(t,e,r,n){var i,o,a,s,l,u=R.isPlainObject(n),c=[];Array.isArray(r)||(r=[r]),r=p(r,t.data.length-1);for(var h in e)for(var f=0;f<r.length;f++){if(i=t.data[r[f]],a=R.nestedProperty(i,h),o=a.get(),s=e[h][f],!Array.isArray(s))throw new Error(\"attribute: \"+h+\" index: \"+f+\" must be an array\");if(!Array.isArray(o))throw new Error(\"cannot extend missing or non-array attribute: \"+h);l=u?n[h][f]:n,P(l)||(l=-1),c.push({prop:a,target:o,insert:s,maxp:Math.floor(l)})}return c}function x(t,e,r,n,i,o){y(t,e,r,n);for(var a,s,l,u=b(t,e,r,n),c=[],h={},f={},d=0;d<u.length;d++)s=u[d].prop,l=u[d].maxp,a=i(u[d].target,u[d].insert),l>=0&&l<a.length&&(c=o(a,l)),l=u[d].target.length,s.set(a),Array.isArray(h[s.astr])||(h[s.astr]=[]),Array.isArray(f[s.astr])||(f[s.astr]=[]),h[s.astr].push(c),f[s.astr].push(l);return{update:h,maxPoints:f}}function _(t){var e;if(R.swapAttrs(t,[\"?\",\"?0\",\"d?\",\"?bins\",\"nbins?\",\"autobin?\",\"?src\",\"error_?\"]),Array.isArray(t.z)&&Array.isArray(t.z[0])&&(t.transpose?delete t.transpose:t.transpose=!0),t.error_x&&t.error_y){var r=t.error_y,n=\"copy_ystyle\"in r?r.copy_ystyle:!(r.color||r.thickness||r.width);R.swapAttrs(t,[\"error_?.copy_ystyle\"]),n&&R.swapAttrs(t,[\"error_?.color\",\"error_?.thickness\",\"error_?.width\"])}if(t.hoverinfo){var i=t.hoverinfo.split(\"+\");for(e=0;e<i.length;e++)\"x\"===i[e]?i[e]=\"y\":\"y\"===i[e]&&(i[e]=\"x\");t.hoverinfo=i.join(\"+\")}}function w(t){var e,r={left:0,right:0,bottom:0,top:0};if(t)for(e in t)t.hasOwnProperty(e)&&(r.left+=t[e].left||0,r.right+=t[e].right||0,r.bottom+=t[e].bottom||0,r.top+=t[e].top||0);return r}function M(t,e){var r,n,i,o=t._fullLayout,a=t._context;if(t.emit(\"plotly_autosize\"),t._context.fillFrame)i=window.innerWidth,n=window.innerHeight,document.body.style.overflow=\"hidden\";else if(P(a.frameMargins)&&a.frameMargins>0){var s=w(t._boundingBoxMargins),l=s.left+s.right,u=s.bottom+s.top,c=o._container.node().getBoundingClientRect(),h=1-2*a.frameMargins;i=Math.round(h*(c.width-l)),n=Math.round(h*(c.height-u))}else r=window.getComputedStyle(t),n=parseFloat(r.height)||o.height,i=parseFloat(r.width)||o.width;return Math.abs(o.width-i)>1||Math.abs(o.height-n)>1?(o.height=t.layout.height=n,o.width=t.layout.width=i):\"initial\"!==o.autosize&&(delete e.autosize,o.autosize=t.layout.autosize=!0),F.sanitizeMargins(o),e}function k(t){var e=z.select(t),r=t._fullLayout;if(r._container=e.selectAll(\".plot-container\").data([0]),r._container.enter().insert(\"div\",\":first-child\").classed(\"plot-container\",!0).classed(\"plotly\",!0),r._paperdiv=r._container.selectAll(\".svg-container\").data([0]),r._paperdiv.enter().append(\"div\").classed(\"svg-container\",!0).style(\"position\",\"relative\"),\"initial\"===r.autosize&&(M(t,{}),r.autosize=!0,t.layout.autosize=!0),r._glcontainer=r._paperdiv.selectAll(\".gl-container\").data([0]),r._glcontainer.enter().append(\"div\").classed(\"gl-container\",!0),r._geocontainer=r._paperdiv.selectAll(\".geo-container\").data([0]),r._geocontainer.enter().append(\"div\").classed(\"geo-container\",!0),r._paperdiv.selectAll(\".main-svg\").remove(),r._paper=r._paperdiv.insert(\"svg\",\":first-child\").classed(\"main-svg\",!0),r._toppaper=r._paperdiv.append(\"svg\").classed(\"main-svg\",!0),!r._uid){var n=[];z.selectAll(\"defs\").each(function(){this.id&&n.push(this.id.split(\"-\")[1])}),r._uid=R.randstr(n)}r._paperdiv.selectAll(\".main-svg\").attr(K.svgAttrs),r._defs=r._paper.append(\"defs\").attr(\"id\",\"defs-\"+r._uid),r._topdefs=r._toppaper.append(\"defs\").attr(\"id\",\"topdefs-\"+r._uid),r._draggers=r._paper.append(\"g\").classed(\"draglayer\",!0);var i=r._paper.append(\"g\").classed(\"layer-below\",!0);r._imageLowerLayer=i.append(\"g\").classed(\"imagelayer\",!0),r._shapeLowerLayer=i.append(\"g\").classed(\"shapelayer\",!0);var o=C.Axes.getSubplots(t);o.join(\"\")!==Object.keys(t._fullLayout._plots||{}).join(\"\")&&A(t,o),r._has(\"cartesian\")&&T(t,o),r._ternarylayer=r._paper.append(\"g\").classed(\"ternarylayer\",!0);var a=r._paper.selectAll(\".layer-subplot\");r._imageSubplotLayer=a.selectAll(\".imagelayer\"),r._shapeSubplotLayer=a.selectAll(\".shapelayer\");var s=r._paper.append(\"g\").classed(\"layer-above\",!0);r._imageUpperLayer=s.append(\"g\").classed(\"imagelayer\",!0),r._shapeUpperLayer=s.append(\"g\").classed(\"shapelayer\",!0),r._pielayer=r._paper.append(\"g\").classed(\"pielayer\",!0),r._glimages=r._paper.append(\"g\").classed(\"glimages\",!0),r._geoimages=r._paper.append(\"g\").classed(\"geoimages\",!0),r._infolayer=r._toppaper.append(\"g\").classed(\"infolayer\",!0),r._zoomlayer=r._toppaper.append(\"g\").classed(\"zoomlayer\",!0),r._hoverlayer=r._toppaper.append(\"g\").classed(\"hoverlayer\",!0),t.emit(\"plotly_framework\");var l=R.syncOrAsync([E,function(){return C.Axes.doTicks(t,\"redraw\")},j.init],t);return l&&l.then&&t._promises.push(l),l}function A(t,e){function r(e,r){return function(){return C.Axes.getFromId(t,e,r)}}for(var n,i,o=t._fullLayout._plots={},a=0;a<e.length;a++)n=e[a],i=o[n]={},i.id=n,i.x=r(n,\"x\"),i.y=r(n,\"y\"),i.xaxis=i.x(),i.yaxis=i.y()}function T(t,e){function r(t){t.append(\"g\").classed(\"imagelayer\",!0),t.append(\"g\").classed(\"maplayer\",!0),t.append(\"g\").classed(\"barlayer\",!0),t.append(\"g\").classed(\"boxlayer\",!0),t.append(\"g\").classed(\"scatterlayer\",!0)}var n=t._fullLayout,i=[];n._paper.selectAll(\"g.subplot\").data(e).enter().append(\"g\").classed(\"subplot\",!0).each(function(o){var a=n._plots[o],s=a.plotgroup=z.select(this).classed(o,!0),l=a.xaxis,u=a.yaxis;a.overlays=[];var c=C.Axes.getFromId(t,l.overlaying)||l;c!==l&&c.overlaying&&(c=l,l.overlaying=!1);var h=C.Axes.getFromId(t,u.overlaying)||u;h!==u&&h.overlaying&&(h=u,u.overlaying=!1);var f=c._id+h._id;if(f!==o&&-1!==e.indexOf(f))a.mainplot=f,i.push(a),l.domain=c.domain.slice(),u.domain=h.domain.slice();else{a.bg=s.append(\"rect\").style(\"stroke-width\",0);var d=s.append(\"g\").classed(\"layer-subplot\",!0);a.shapelayer=d.append(\"g\").classed(\"shapelayer\",!0),a.imagelayer=d.append(\"g\").classed(\"imagelayer\",!0),a.gridlayer=s.append(\"g\"),a.overgrid=s.append(\"g\"),a.zerolinelayer=s.append(\"g\"),a.overzero=s.append(\"g\"),a.plot=s.append(\"g\").call(r),a.overplot=s.append(\"g\"),a.xlines=s.append(\"path\"),a.ylines=s.append(\"path\"),a.overlines=s.append(\"g\"),a.xaxislayer=s.append(\"g\"),a.yaxislayer=s.append(\"g\"),a.overaxes=s.append(\"g\")}a.draglayer=n._draggers.append(\"g\")}),i.forEach(function(t){var e=n._plots[t.mainplot];e.overlays.push(t),t.gridlayer=e.overgrid.append(\"g\"),t.zerolinelayer=e.overzero.append(\"g\"),t.plot=e.overplot.append(\"g\").call(r),t.xlines=e.overlines.append(\"path\"),t.ylines=e.overlines.append(\"path\"),t.xaxislayer=e.overaxes.append(\"g\"),t.yaxislayer=e.overaxes.append(\"g\")}),e.forEach(function(t){var e=n._plots[t];e.xlines.style(\"fill\",\"none\").classed(\"crisp\",!0),e.ylines.style(\"fill\",\"none\").classed(\"crisp\",!0)})}function E(t){return R.syncOrAsync([F.doAutoMargin,S],t)}function S(t){var e,r=t._fullLayout,n=r._size,i=C.Axes.list(t);for(e=0;e<i.length;e++)i[e]._linepositions={};r._paperdiv.style({width:r.width+\"px\",height:r.height+\"px\"}).selectAll(\".main-svg\").call(B.setSize,r.width,r.height),t._context.setBackground(t,r.paper_bgcolor);var o=[];return r._paper.selectAll(\"g.subplot\").each(function(e){var i=r._plots[e],a=C.Axes.getFromId(t,e,\"x\"),s=C.Axes.getFromId(t,e,\"y\");a.setScale(),s.setScale(),i.bg&&i.bg.call(B.setRect,a._offset-n.p,s._offset-n.p,a._length+2*n.p,s._length+2*n.p).call(N.fill,r.plot_bgcolor),i.clipId=\"clip\"+r._uid+e+\"plot\";var l=r._defs.selectAll(\"g.clips\").selectAll(\"#\"+i.clipId).data([0]);l.enter().append(\"clipPath\").attr({\"class\":\"plotclip\",id:i.clipId}).append(\"rect\"),l.selectAll(\"rect\").attr({width:a._length,height:s._length}),i.plot.call(R.setTranslate,a._offset,s._offset),i.plot.call(B.setClipUrl,i.clipId);var u=B.crispRound(t,a.linewidth,1),c=B.crispRound(t,s.linewidth,1),h=n.p+c,f=\"M\"+-h+\",\",d=\"h\"+(a._length+2*h),p=\"free\"===a.anchor&&-1===o.indexOf(a._id),v=n.h*(1-(a.position||0))+u/2%1,m=a.anchor===s._id&&(a.mirror||\"top\"!==a.side)||\"all\"===a.mirror||\"allticks\"===a.mirror||a.mirrors&&a.mirrors[s._id+\"bottom\"],g=s._length+n.p+u/2,y=a.anchor===s._id&&(a.mirror||\"top\"===a.side)||\"all\"===a.mirror||\"allticks\"===a.mirror||a.mirrors&&a.mirrors[s._id+\"top\"],b=-n.p-u/2,x=n.p,_=m?0:u,w=y?0:u,M=\",\"+(-x-w)+\"v\"+(s._length+2*x+w+_),k=\"free\"===s.anchor&&-1===o.indexOf(s._id),A=n.w*(s.position||0)+c/2%1,T=s.anchor===a._id&&(s.mirror||\"right\"!==s.side)||\"all\"===s.mirror||\"allticks\"===s.mirror||s.mirrors&&s.mirrors[a._id+\"left\"],E=-n.p-c/2,S=s.anchor===a._id&&(s.mirror||\"right\"===s.side)||\"all\"===s.mirror||\"allticks\"===s.mirror||s.mirrors&&s.mirrors[a._id+\"right\"],L=a._length+n.p+c/2;a._linepositions[e]=[m?g:void 0,y?b:void 0,p?v:void 0],a.anchor===s._id?a._linepositions[e][3]=\"top\"===a.side?b:g:p&&(a._linepositions[e][3]=v),s._linepositions[e]=[T?E:void 0,S?L:void 0,k?A:void 0],s.anchor===a._id?s._linepositions[e][3]=\"right\"===s.side?L:E:k&&(s._linepositions[e][3]=A);var z=\"translate(\"+a._offset+\",\"+s._offset+\")\",I=z,P=z;p&&(I=\"translate(\"+a._offset+\",\"+n.t+\")\",b+=s._offset-n.t,g+=s._offset-n.t),k&&(P=\"translate(\"+n.l+\",\"+s._offset+\")\",E+=a._offset-n.l,L+=a._offset-n.l),i.xlines.attr(\"transform\",I).attr(\"d\",(m?f+g+d:\"\")+(y?f+b+d:\"\")+(p?f+v+d:\"\")||\"M0,0\").style(\"stroke-width\",u+\"px\").call(N.stroke,a.showline?a.linecolor:\"rgba(0,0,0,0)\"),i.ylines.attr(\"transform\",P).attr(\"d\",(T?\"M\"+E+M:\"\")+(S?\"M\"+L+M:\"\")+(k?\"M\"+A+M:\"\")||\"M0,0\").attr(\"stroke-width\",c+\"px\").call(N.stroke,s.showline?s.linecolor:\"rgba(0,0,0,0)\"),i.xaxislayer.attr(\"transform\",I),i.yaxislayer.attr(\"transform\",P),i.gridlayer.attr(\"transform\",z),i.zerolinelayer.attr(\"transform\",z),i.draglayer.attr(\"transform\",z),p&&o.push(a._id),k&&o.push(s._id)}),C.Axes.makeClipPaths(t),L(t),Z(t),t._promises.length&&Promise.all(t._promises)}function L(t){var e=t._fullLayout;W.draw(t,\"gtitle\",{propContainer:e,propName:\"title\",dfltName:\"Plot\",attributes:{x:e.width/2,y:e._size.t/2,\"text-anchor\":\"middle\"}})}var z=t(\"d3\"),I=t(\"gl-mat4/fromQuat\"),P=t(\"fast-isnumeric\"),C=t(\"../plotly\"),R=t(\"../lib\"),D=t(\"../lib/events\"),O=t(\"../lib/queue\"),F=t(\"../plots/plots\"),j=t(\"../plots/cartesian/graph_interact\"),N=t(\"../components/color\"),B=t(\"../components/drawing\"),U=t(\"../components/errorbars\"),V=t(\"../components/images\"),q=t(\"../components/legend\"),G=t(\"../components/rangeslider\"),H=t(\"../components/rangeselector\"),X=t(\"../components/updatemenus\"),Y=t(\"../components/shapes\"),W=t(\"../components/titles\"),Z=t(\"../components/modebar/manage\"),K=t(\"../constants/xmlns_namespaces\");C.plot=function(t,e,r,i){function o(){var e,r,n,i=t.calcdata;for(q.draw(t),H.draw(t),X.draw(t),e=0;e<i.length;e++)r=i[e],n=r[0].trace,n.visible===!0&&n._module.colorbar?n._module.colorbar(t,r):F.autoMargin(t,\"cb\"+n.uid);return F.doAutoMargin(t),F.previousPromises(t)}function u(){var e=JSON.stringify(A._size)===L?[]:[o,E];return R.syncOrAsync(e.concat(j.init),t)}function h(){if(T){for(var e,r,n=F.getSubplotIds(A,\"cartesian\"),i=A._modules,o=0;o<n.length;o++){e=A._plots[n[o]];for(var a=0;a<i.length;a++)r=i[a],r.setPositions&&r.setPositions(t,e)}return U.calc(t),R.syncOrAsync([Y.calcAutorange,C.Annotations.calcAutorange,f],t)}}function f(){for(var e=C.Axes.list(t,\"\",!0),r=0;r<e.length;r++)C.Axes.doAutoRange(e[r])}function p(){return C.Axes.doTicks(t,\"redraw\")}function v(){var e,r=t.calcdata;for(e=0;e<r.length;e++){var n=r[e][0].trace,i=n.visible===!0,o=n.uid;i&&F.traceIs(n,\"2dMap\")||A._paper.selectAll(\".hm\"+o+\",.contour\"+o+\",#clip\"+o).remove(),i&&n._module.colorbar||A._infolayer.selectAll(\".cb\"+o).remove()}var a=A._basePlotModules;for(e=0;e<a.length;e++)a[e].plot(t);return F.style(t),Y.drawAll(t),C.Annotations.drawAll(t),F.addLinks(t),t._replotting=!1,F.previousPromises(t)}function m(){Y.drawAll(t),V.draw(t),C.Annotations.drawAll(t),q.draw(t),G.draw(t),H.draw(t),X.draw(t)}function g(){t.emit(\"plotly_afterplot\")}t=n(t),D.init(t);var y=D.triggerHandler(t,\"plotly_beforeplot\",[e,r,i]);if(y===!1)return Promise.reject();e||r||R.isPlotDiv(t)||R.warn(\"Calling Plotly.plot as if redrawing but this container doesn't yet have a plot.\",t),a(t,i),r||(r={}),z.select(t).classed(\"js-plotly-plot\",!0),B.makeTester(t),t._promises=[];var b=0===(t.data||[]).length&&Array.isArray(e);if(Array.isArray(e)&&(c(e,t.data),b?t.data=e:t.data.push.apply(t.data,e),t.empty=!1),t.layout&&!b||(t.layout=l(r)),t._dragging)return t._replotPending=!0,Promise.reject();if(t._replotPending=!1,F.supplyDefaults(t),e&&e[0]&&e[0].r)return s(t,e,r);t._replotting=!0;var x=t._fullData.length>0,_=C.Axes.getSubplots(t).join(\"\"),w=Object.keys(t._fullLayout._plots||{}).join(\"\"),M=w===_;x?t.framework===k&&!b&&M||(t.framework=k,k(t)):M?b&&k(t):(t.framework=k,k(t)),b&&C.Axes.saveRangeInitial(t);var A=t._fullLayout,T=!t.calcdata||t.calcdata.length!==(t.data||[]).length;T&&d(t);for(var S=0;S<t.calcdata.length;S++)t.calcdata[S][0].trace=t._fullData[S];var L=JSON.stringify(A._size);return R.syncOrAsync([F.previousPromises,o,u,h,E,p,v,m],t,g),Promise.all(t._promises).then(function(){return t})},C.redraw=function(t){return t=n(t),R.isPlotDiv(t)?(t.calcdata=void 0,C.plot(t).then(function(){return t.emit(\"plotly_redraw\"),t})):void R.warn(\"This element is not a Plotly plot.\",t)},C.newPlot=function(t,e,r,i){return t=n(t),F.cleanPlot([],{},t._fullData||{},t._fullLayout||{}),F.purge(t),C.plot(t,e,r,i)},C.extendTraces=function J(t,e,r,i){t=n(t);var o=x(t,e,r,i,function(t,e){return t.concat(e)},function(t,e){return t.splice(0,t.length-e)}),a=C.redraw(t),s=[t,o.update,r,o.maxPoints];return O.add(t,C.prependTraces,s,J,arguments),a},C.prependTraces=function $(t,e,r,i){t=n(t);var o=x(t,e,r,i,function(t,e){return e.concat(t)},function(t,e){return t.splice(e,t.length)}),a=C.redraw(t),s=[t,o.update,r,o.maxPoints];return O.add(t,C.extendTraces,s,$,arguments),a},C.addTraces=function Q(t,e,r){t=n(t);var i,o,a=[],s=C.deleteTraces,l=Q,u=[t,a],h=[t,e];for(g(t,e,r),Array.isArray(e)||(e=[e]),c(e,t.data),i=0;i<e.length;i+=1)t.data.push(e[i]);for(i=0;i<e.length;i++)a.push(-e.length+i);if(\"undefined\"==typeof r)return o=C.redraw(t),O.add(t,s,u,l,h),o;Array.isArray(r)||(r=[r]);try{m(t,a,r)}catch(f){throw t.data.splice(t.data.length-e.length,e.length),f}return O.startSequence(t),O.add(t,s,u,l,h),o=C.moveTraces(t,a,r),O.stopSequence(t),o},C.deleteTraces=function tt(t,e){t=n(t);var r,i,o=[],a=C.addTraces,s=tt,l=[t,o,e],u=[t,e];if(\"undefined\"==typeof e)throw new Error(\"indices must be an integer or array of integers.\");for(Array.isArray(e)||(e=[e]),v(t,e,\"indices\"),e=p(e,t.data.length-1),e.sort(R.sorterDes),r=0;r<e.length;r+=1)i=t.data.splice(e[r],1)[0],o.push(i);var c=C.redraw(t);return O.add(t,a,l,s,u),c},C.moveTraces=function et(t,e,r){t=n(t);var i,o=[],a=[],s=et,l=et,u=[t,r,e],c=[t,e,r];if(m(t,e,r),e=Array.isArray(e)?e:[e],\"undefined\"==typeof r)for(r=[],i=0;i<e.length;i++)r.push(-e.length+i);for(r=Array.isArray(r)?r:[r],e=p(e,t.data.length-1),r=p(r,t.data.length-1),i=0;i<t.data.length;i++)-1===e.indexOf(i)&&o.push(t.data[i]);for(i=0;i<e.length;i++)a.push({newIndex:r[i],trace:t.data[e[i]]});for(a.sort(function(t,e){return t.newIndex-e.newIndex}),i=0;i<a.length;i+=1)o.splice(a[i].newIndex,0,a[i].trace);t.data=o;var h=C.redraw(t);return O.add(t,s,u,l,c),h},C.restyle=function rt(t,e,r,o){function a(){return o.map(function(){})}function s(t){var e=C.Axes.id2name(t);-1===v.indexOf(e)&&v.push(e)}function l(t){return\"LAYOUT\"+t+\".autorange\"}function u(t){return\"LAYOUT\"+t+\".range\"}function c(e,r,n){if(Array.isArray(e))return void e.forEach(function(t){c(t,r,n)});if(!(e in d)){var i;i=\"LAYOUT\"===e.substr(0,6)?R.nestedProperty(t.layout,e.replace(\"LAYOUT\",\"\")):R.nestedProperty(t.data[o[n]],e),e in E||(E[e]=a()),void 0===E[e][n]&&(E[e][n]=i.get()),void 0!==r&&i.set(r)}}t=n(t),i(t);var h,f=t._fullLayout,d={};if(\"string\"==typeof e)d[e]=r;else{if(!R.isPlainObject(e))return R.warn(\"Restyle fail.\",e,r,o),Promise.reject();d=e,void 0===o&&(o=r)}Object.keys(d).length&&(t.changed=!0),P(o)?o=[o]:Array.isArray(o)&&o.length||(o=t.data.map(function(t,e){return e}));var p=[\"mode\",\"visible\",\"type\",\"orientation\",\"fill\",\"histfunc\",\"histnorm\",\"text\",\"x\",\"y\",\"z\",\"a\",\"b\",\"c\",\"xtype\",\"x0\",\"dx\",\"ytype\",\"y0\",\"dy\",\"xaxis\",\"yaxis\",\"line.width\",\"connectgaps\",\"transpose\",\"zsmooth\",\"showscale\",\"marker.showscale\",\"zauto\",\"marker.cauto\",\"autocolorscale\",\"marker.autocolorscale\",\"colorscale\",\"marker.colorscale\",\"reversescale\",\"marker.reversescale\",\"autobinx\",\"nbinsx\",\"xbins\",\"xbins.start\",\"xbins.end\",\"xbins.size\",\"autobiny\",\"nbinsy\",\"ybins\",\"ybins.start\",\"ybins.end\",\"ybins.size\",\"autocontour\",\"ncontours\",\"contours\",\"contours.coloring\",\"error_y\",\"error_y.visible\",\"error_y.value\",\"error_y.type\",\"error_y.traceref\",\"error_y.array\",\"error_y.symmetric\",\"error_y.arrayminus\",\"error_y.valueminus\",\"error_y.tracerefminus\",\"error_x\",\"error_x.visible\",\"error_x.value\",\"error_x.type\",\"error_x.traceref\",\"error_x.array\",\"error_x.symmetric\",\"error_x.arrayminus\",\"error_x.valueminus\",\"error_x.tracerefminus\",\"swapxy\",\"swapxyaxes\",\"orientationaxes\",\"marker.colors\",\"values\",\"labels\",\"label0\",\"dlabel\",\"sort\",\"textinfo\",\"textposition\",\"textfont.size\",\"textfont.family\",\"textfont.color\",\"insidetextfont.size\",\"insidetextfont.family\",\"insidetextfont.color\",\"outsidetextfont.size\",\"outsidetextfont.family\",\"outsidetextfont.color\",\"hole\",\"scalegroup\",\"domain\",\"domain.x\",\"domain.y\",\"domain.x[0]\",\"domain.x[1]\",\"domain.y[0]\",\"domain.y[1]\",\"tilt\",\"tiltaxis\",\"depth\",\"direction\",\"rotation\",\"pull\",\"line.showscale\",\"line.cauto\",\"line.autocolorscale\",\"line.reversescale\",\"marker.line.showscale\",\"marker.line.cauto\",\"marker.line.autocolorscale\",\"marker.line.reversescale\"];for(h=0;h<o.length;h++)if(F.traceIs(t._fullData[o[h]],\"box\")){p.push(\"name\");break}var v,m=[\"marker\",\"marker.size\",\"textfont\",\"boxpoints\",\"jitter\",\"pointpos\",\"whiskerwidth\",\"boxmean\"],g=[\"zmin\",\"zmax\",\"zauto\",\"marker.cmin\",\"marker.cmax\",\"marker.cauto\",\"line.cmin\",\"line.cmax\",\"marker.line.cmin\",\"marker.line.cmax\",\"contours.start\",\"contours.end\",\"contours.size\",\"contours.showlines\",\"line\",\"line.smoothing\",\"line.shape\",\"error_y.width\",\"error_x.width\",\"error_x.copy_ystyle\",\"marker.maxdisplayed\"],y=[\"type\",\"x\",\"y\",\"x0\",\"y0\",\"orientation\",\"xaxis\",\"yaxis\"],b=!1,x=!1,w=!1,M=!1,k=!1,A=!1,T={},E={},S={},L=[\"cartesian\",\"pie\",\"ternary\"];\nf._basePlotModules.forEach(function(t){-1===L.indexOf(t.name)&&(b=!0)});var z=[\"zmin\",\"zmax\"],I=[\"xbins.start\",\"xbins.end\",\"xbins.size\"],D=[\"ybins.start\",\"ybins.end\",\"ybins.size\"],j=[\"contours.start\",\"contours.end\",\"contours.size\"];for(var N in d){var B,U,V,G,H,X=d[N];if(T[N]=X,\"LAYOUT\"!==N.substr(0,6)){for(\"transforms\"===N.substr(0,10)&&(b=!0),E[N]=a(),h=0;h<o.length;h++){if(B=t.data[o[h]],U=t._fullData[o[h]],V=R.nestedProperty(B,N),G=V.get(),H=Array.isArray(X)?X[h%X.length]:X,-1!==z.indexOf(N))c(\"zauto\",!1,h);else if(\"colorscale\"===N)c(\"autocolorscale\",!1,h);else if(\"autocolorscale\"===N)c(\"colorscale\",void 0,h);else if(\"marker.colorscale\"===N)c(\"marker.autocolorscale\",!1,h);else if(\"marker.autocolorscale\"===N)c(\"marker.colorscale\",void 0,h);else if(\"zauto\"===N)c(z,void 0,h);else if(-1!==I.indexOf(N))c(\"autobinx\",!1,h);else if(\"autobinx\"===N)c(I,void 0,h);else if(-1!==D.indexOf(N))c(\"autobiny\",!1,h);else if(\"autobiny\"===N)c(D,void 0,h);else if(-1!==j.indexOf(N))c(\"autocontour\",!1,h);else if(\"autocontour\"===N)c(j,void 0,h);else if(-1!==[\"x0\",\"dx\"].indexOf(N)&&U.x&&\"scaled\"!==U.xtype)c(\"xtype\",\"scaled\",h);else if(-1!==[\"y0\",\"dy\"].indexOf(N)&&U.y&&\"scaled\"!==U.ytype)c(\"ytype\",\"scaled\",h);else if(\"colorbar.thicknessmode\"===N&&V.get()!==H&&-1!==[\"fraction\",\"pixels\"].indexOf(H)&&U.colorbar){var Y=-1!==[\"top\",\"bottom\"].indexOf(U.colorbar.orient)?f.height-f.margin.t-f.margin.b:f.width-f.margin.l-f.margin.r;c(\"colorbar.thickness\",U.colorbar.thickness*(\"fraction\"===H?1/Y:Y),h)}else if(\"colorbar.lenmode\"===N&&V.get()!==H&&-1!==[\"fraction\",\"pixels\"].indexOf(H)&&U.colorbar){var W=-1!==[\"top\",\"bottom\"].indexOf(U.colorbar.orient)?f.width-f.margin.l-f.margin.r:f.height-f.margin.t-f.margin.b;c(\"colorbar.len\",U.colorbar.len*(\"fraction\"===H?1/W:W),h)}else\"colorbar.tick0\"===N||\"colorbar.dtick\"===N?c(\"colorbar.tickmode\",\"linear\",h):\"colorbar.tickmode\"===N&&c([\"colorbar.tick0\",\"colorbar.dtick\"],void 0,h);if(\"type\"===N&&\"pie\"===H!=(\"pie\"===G)){var Z=\"x\",K=\"y\";\"bar\"!==H&&\"bar\"!==G||\"h\"!==B.orientation||(Z=\"y\",K=\"x\"),R.swapAttrs(B,[\"?\",\"?src\"],\"labels\",Z),R.swapAttrs(B,[\"d?\",\"?0\"],\"label\",Z),R.swapAttrs(B,[\"?\",\"?src\"],\"values\",K),\"pie\"===G?(R.nestedProperty(B,\"marker.color\").set(R.nestedProperty(B,\"marker.colors\").get()),f._pielayer.selectAll(\"g.trace\").remove()):F.traceIs(B,\"cartesian\")&&(R.nestedProperty(B,\"marker.colors\").set(R.nestedProperty(B,\"marker.color\").get()),S[B.xaxis||\"x\"]=!0,S[B.yaxis||\"y\"]=!0)}E[N][h]=G;var J=[\"swapxy\",\"swapxyaxes\",\"orientation\",\"orientationaxes\"];if(-1!==J.indexOf(N)){if(\"orientation\"===N){if(V.set(H),V.get()===E[N][h])continue}else\"orientationaxes\"===N&&(B.orientation={v:\"h\",h:\"v\"}[U.orientation]);_(B)}else V.set(H)}if(-1!==[\"swapxyaxes\",\"orientationaxes\"].indexOf(N)&&C.Axes.swap(t,o),\"orientationaxes\"===N){var $=R.nestedProperty(t.layout,\"hovermode\");\"x\"===$.get()?$.set(\"y\"):\"y\"===$.get()&&$.set(\"x\")}if(-1!==o.indexOf(0)&&-1!==y.indexOf(N)&&(C.Axes.clearTypes(t,o),b=!0),-1!==[\"autobinx\",\"autobiny\",\"zauto\"].indexOf(N)&&H===!1||(k=!0),(-1!==[\"colorbar\",\"line\"].indexOf(V.parts[0])||\"marker\"===V.parts[0]&&\"colorbar\"===V.parts[1])&&(A=!0),-1!==p.indexOf(N)){if(-1!==[\"orientation\",\"type\"].indexOf(N)){for(v=[],h=0;h<o.length;h++){var Q=t.data[o[h]];F.traceIs(Q,\"cartesian\")&&(s(Q.xaxis||\"x\"),s(Q.yaxis||\"y\"),\"type\"===e&&c([\"autobinx\",\"autobiny\"],!0,h))}c(v.map(l),!0,0),c(v.map(u),[0,1],0)}b=!0}else-1!==g.indexOf(N)?w=!0:-1!==m.indexOf(N)&&(x=!0)}else V=R.nestedProperty(t.layout,N.replace(\"LAYOUT\",\"\")),E[N]=[V.get()],V.set(Array.isArray(X)?X[0]:X),b=!0}var tt=Object.keys(S);t:for(h=0;h<tt.length;h++){for(var et=tt[h],nt=et.charAt(0),it=nt+\"axis\",ot=0;ot<t.data.length;ot++)if(F.traceIs(t.data[ot],\"cartesian\")&&(t.data[ot][it]||nt)===et)continue t;c(\"LAYOUT\"+C.Axes.id2name(et),null,0)}O.add(t,rt,[t,E,o],rt,[t,T,o]);var at=!1;C.Axes.list(t).forEach(function(t){t.autorange&&(at=!0)}),(b||M||x&&at)&&(t.calcdata=void 0);var st;M?st=[function(){var e=t.layout;return t.layout=void 0,C.plot(t,\"\",e)}]:b||w||x?st=[C.plot]:(F.supplyDefaults(t),st=[F.previousPromises],k&&st.push(function(){var e,r,n;for(e=0;e<t.calcdata.length;e++)r=t.calcdata[e],n=(((r[0]||{}).trace||{})._module||{}).arraysToCalcdata,n&&n(r);return F.style(t),q.draw(t),F.previousPromises(t)}),A&&st.push(function(){return t.calcdata.forEach(function(t){if((t[0].t||{}).cb){var e=t[0].trace,r=t[0].t.cb;F.traceIs(e,\"contour\")&&r.line({width:e.contours.showlines!==!1?e.line.width:0,dash:e.line.dash,color:\"line\"===e.contours.coloring?r._opts.line.color:e.line.color}),F.traceIs(e,\"markerColorscale\")?r.options(e.marker.colorbar)():r.options(e.colorbar)()}}),F.previousPromises(t)}));var lt=R.syncOrAsync(st,t);return lt&&lt.then||(lt=Promise.resolve()),lt.then(function(){return t.emit(\"plotly_restyle\",R.extendDeep([],[T,o])),t})},C.relayout=function nt(t,e,r){function o(t,e){if(Array.isArray(t))return void t.forEach(function(t){o(t,e)});if(!(t in g)){var r=R.nestedProperty(v,t);t in S||(S[t]=r.get()),void 0!==e&&r.set(e)}}function a(t,e){var r=C.Axes.id2name(t[e+\"ref\"]||e);return(m[r]||{}).autorange}function s(t){var e=t[\"xaxis.range\"]?t[\"xaxis.range\"][0]:t[\"xaxis.range[0]\"],r=t[\"xaxis.range\"]?t[\"xaxis.range\"][1]:t[\"xaxis.range[1]\"],n=m.xaxis&&m.xaxis.rangeslider?m.xaxis.rangeslider:{};n.visible&&(e||r?m.xaxis.rangeslider.setRange(e,r):t[\"xaxis.autorange\"]&&m.xaxis.rangeslider.setRange())}if(t=n(t),i(t),t.framework&&t.framework.isPolar)return Promise.resolve(t);var l,u,c,h,f,d,p,v=t.layout,m=t._fullLayout,g={},y=!1,b=!1,x=!1,_=!1,w=!1,k=!1;if(\"string\"==typeof e)g[e]=r;else{if(!R.isPlainObject(e))return R.warn(\"Relayout fail.\",e,r),Promise.reject();g=e}for(Object.keys(g).length&&(t.changed=!0),c=Object.keys(g),u=C.Axes.list(t),p=0;p<c.length;p++){if(0===c[p].indexOf(\"allaxes\")){for(var A=0;A<u.length;A++)f=u[A]._id.substr(1),d=-1!==f.indexOf(\"scene\")?f+\".\":\"\",l=c[p].replace(\"allaxes\",d+u[A]._name),g[l]||(g[l]=g[c[p]]);delete g[c[p]]}c[p].match(/^annotations\\[[0-9-]+\\].ref$/)&&(h=g[c[p]].split(\"y\"),g[c[p].replace(\"ref\",\"xref\")]=h[0],g[c[p].replace(\"ref\",\"yref\")]=2===h.length?\"y\"+h[1]:\"paper\",delete g[c[p]])}var T={},S={},z=[\"height\",\"width\"];for(var I in g){var P,D=R.nestedProperty(v,I),j=g[I],N=D.parts.length,B=\"string\"==typeof D.parts[N-1]?N-1:N-2,U=D.parts[B],G=D.parts[B-1]+\".\"+U,H=D.parts.slice(0,B).join(\".\"),X=R.nestedProperty(t.layout,H).get(),Y=R.nestedProperty(m,H).get();if(T[I]=j,S[I]=\"reverse\"===U?j:D.get(),-1!==z.indexOf(I)?o(\"autosize\",!1):\"autosize\"===I?o(z,void 0):G.match(/^[xyz]axis[0-9]*\\.range(\\[[0|1]\\])?$/)?o(H+\".autorange\",!1):G.match(/^[xyz]axis[0-9]*\\.autorange$/)?o([H+\".range[0]\",H+\".range[1]\"],void 0):G.match(/^aspectratio\\.[xyz]$/)?o(D.parts[0]+\".aspectmode\",\"manual\"):G.match(/^aspectmode$/)?o([H+\".x\",H+\".y\",H+\".z\"],void 0):\"tick0\"===U||\"dtick\"===U?o(H+\".tickmode\",\"linear\"):\"tickmode\"===U?o([H+\".tick0\",H+\".dtick\"],void 0):/[xy]axis[0-9]*?$/.test(U)&&!Object.keys(j||{}).length?w=!0:/[xy]axis[0-9]*\\.categoryorder$/.test(G)?w=!0:/[xy]axis[0-9]*\\.categoryarray/.test(G)&&(w=!0),-1!==G.indexOf(\"rangeslider\")&&(w=!0),\"type\"===U&&\"log\"===Y.type!=(\"log\"===j)){var W=X;if(W&&W.range)if(Y.autorange)\"log\"===j&&(W.range=W.range[1]>W.range[0]?[1,2]:[2,1]);else{var K=W.range[0],J=W.range[1];\"log\"===j?(0>=K&&0>=J&&o(H+\".autorange\",!0),0>=K?K=J/1e6:0>=J&&(J=K/1e6),o(H+\".range[0]\",Math.log(K)/Math.LN10),o(H+\".range[1]\",Math.log(J)/Math.LN10)):(o(H+\".range[0]\",Math.pow(10,K)),o(H+\".range[1]\",Math.pow(10,J)))}else o(H+\".autorange\",!0)}if(\"reverse\"===U)X.range?X.range.reverse():(o(H+\".autorange\",!0),X.range=[1,0]),Y.autorange?w=!0:_=!0;else if(\"annotations\"===D.parts[0]||\"shapes\"===D.parts[0]){var $=D.parts[1],Q=D.parts[0],tt=v[Q]||[],et=C[R.titleCase(Q)],rt=tt[$]||{};2===D.parts.length&&(\"add\"===g[I]||R.isPlainObject(g[I])?S[I]=\"remove\":\"remove\"===g[I]?-1===$?(S[Q]=tt,delete S[I]):S[I]=rt:R.log(\"???\",g)),!a(rt,\"x\")&&!a(rt,\"y\")||R.containsAny(I,[\"color\",\"opacity\",\"align\",\"dash\"])||(w=!0),et.draw(t,$,D.parts.slice(2).join(\".\"),g[I]),delete g[I]}else if(\"images\"===D.parts[0]){var it=R.objectFromPath(I,j);R.extendDeepAll(t.layout,it),V.supplyLayoutDefaults(t.layout,t._fullLayout),V.draw(t)}else if(\"mapbox\"===D.parts[0]&&\"layers\"===D.parts[1]){R.extendDeepAll(t.layout,R.objectFromPath(I,j));var ot=(t._fullLayout.mapbox||{}).layers||[];for(P=D.parts[2]+1-ot.length,p=0;P>p;p++)ot.push({});_=!0}else if(\"updatemenus\"===D.parts[0]){R.extendDeepAll(t.layout,R.objectFromPath(I,j));var at=t._fullLayout.updatemenus||[];for(P=D.parts[2]+1-at.length,p=0;P>p;p++)at.push({});_=!0}else 0===D.parts[0].indexOf(\"scene\")?_=!0:0===D.parts[0].indexOf(\"geo\")?_=!0:0===D.parts[0].indexOf(\"ternary\")?_=!0:!m._has(\"gl2d\")||-1===I.indexOf(\"axis\")&&\"plot_bgcolor\"!==D.parts[0]?\"hiddenlabels\"===I?w=!0:-1!==D.parts[0].indexOf(\"legend\")?y=!0:-1!==I.indexOf(\"title\")?b=!0:-1!==D.parts[0].indexOf(\"bgcolor\")?x=!0:D.parts.length>1&&R.containsAny(D.parts[1],[\"tick\",\"exponent\",\"grid\",\"zeroline\"])?b=!0:-1!==I.indexOf(\".linewidth\")&&-1!==I.indexOf(\"axis\")?b=x=!0:D.parts.length>1&&-1!==D.parts[1].indexOf(\"line\")?x=!0:D.parts.length>1&&\"mirror\"===D.parts[1]?b=x=!0:\"margin.pad\"===I?b=x=!0:\"margin\"===D.parts[0]||\"autorange\"===D.parts[1]||\"rangemode\"===D.parts[1]||\"type\"===D.parts[1]||\"domain\"===D.parts[1]||I.match(/^(bar|box|font)/)?w=!0:-1!==[\"hovermode\",\"dragmode\"].indexOf(I)?k=!0:-1===[\"hovermode\",\"dragmode\",\"height\",\"width\",\"autosize\"].indexOf(I)&&(_=!0):_=!0,D.set(j)}O.add(t,nt,[t,S],nt,[t,T]),g.autosize&&(g=M(t,g)),(g.height||g.width||g.autosize)&&(w=!0);var st=Object.keys(g),lt=[F.previousPromises];if(_||w)lt.push(function(){return t.layout=void 0,w&&(t.calcdata=void 0),C.plot(t,\"\",v)});else if(st.length&&(F.supplyDefaults(t),m=t._fullLayout,y&&lt.push(function(){return q.draw(t),F.previousPromises(t)}),x&&lt.push(E),b&&lt.push(function(){return C.Axes.doTicks(t,\"redraw\"),L(t),F.previousPromises(t)}),k)){var ut;for(Z(t),C.Fx.supplyLayoutDefaults(t.layout,m,t._fullData),C.Fx.init(t),ut=F.getSubplotIds(m,\"gl3d\"),p=0;p<ut.length;p++)f=m[ut[p]]._scene,f.updateFx(m.dragmode,m.hovermode);for(ut=F.getSubplotIds(m,\"gl2d\"),p=0;p<ut.length;p++)f=m._plots[ut[p]]._scene2d,f.updateFx(m);for(ut=F.getSubplotIds(m,\"geo\"),p=0;p<ut.length;p++){var ct=m[ut[p]]._geo;ct.updateFx(m.hovermode)}}var ht=R.syncOrAsync(lt,t);return ht&&ht.then||(ht=Promise.resolve(t)),ht.then(function(){var e=R.extendDeep({},T);return s(e),t.emit(\"plotly_relayout\",e),t})},C.purge=function(t){t=n(t);var e=t._fullLayout||{},r=t._fullData||[];return F.cleanPlot([],{},r,e),F.purge(t),D.purge(t),e._container&&e._container.remove(),delete t._context,delete t._replotPending,delete t._mouseDownTime,delete t._hmpixcount,delete t._hmlumcount,t}},{\"../components/color\":483,\"../components/drawing\":506,\"../components/errorbars\":512,\"../components/images\":518,\"../components/legend\":526,\"../components/modebar/manage\":530,\"../components/rangeselector\":537,\"../components/rangeslider\":542,\"../components/shapes\":545,\"../components/titles\":546,\"../components/updatemenus\":551,\"../constants/xmlns_namespaces\":556,\"../lib\":568,\"../lib/events\":562,\"../lib/queue\":575,\"../plotly\":589,\"../plots/cartesian/graph_interact\":599,\"../plots/plots\":648,d3:119,\"fast-isnumeric\":123,\"gl-mat4/fromQuat\":140}],584:[function(t,e,r){\"use strict\";function n(t,e){try{t._fullLayout._paper.style(\"background\",e)}catch(r){i.error(r)}}var i=t(\"../lib\");e.exports={staticPlot:!1,editable:!1,queueLength:0,autosizable:!1,fillFrame:!1,frameMargins:0,scrollZoom:!1,doubleClick:\"reset+autosize\",showTips:!0,showLink:!1,sendData:!0,linkText:\"Edit chart\",showSources:!1,displayModeBar:\"hover\",modeBarButtonsToRemove:[],modeBarButtonsToAdd:[],modeBarButtons:!1,displaylogo:!0,plotGlPixelRatio:2,setBackground:n,topojsonURL:\"https://cdn.plot.ly/\",mapboxAccessToken:null,logging:!1}},{\"../lib\":568}],585:[function(t,e,r){\"use strict\";function n(t){var e=g.attributes,r=u({type:t}),n=h(t),i=d(t),o={},a={};o.type=null,x(o,e),o=s(r.attributes,o,\"attributes\",t),void 0!==i.attributes&&x(o,i.attributes),o.type=t,o=c(o),l(o),S.traces[t]=b({},n,{attributes:o}),void 0!==r.layoutAttributes&&(a=s(r.layoutAttributes,a,\"layoutAttributes\",t),l(a),S.traces[t].layoutAttributes=a)}function i(){var t=g.layoutAttributes,e={};e=s(t,e,\"layoutAttributes\",\"*\"),e=f(e),e=p(e),e=c(e),l(e),v(e),S.layout={layoutAttributes:e}}function o(t){var e=g.transformsRegistry[t],r={};r=s(r,e.attributes||{},\"attributes\",\"*\"),r=c(r),l(r),v(r),S.transforms[t]={attributes:r}}function a(){S.defs={valObjects:y.valObjects,metaKeys:E.concat([\"description\",\"role\"])}}function s(t,e,r,n){var i,o,a,l,c;return Object.keys(t).forEach(function(h){return h===w?void Object.keys(t[h]).forEach(function(l){i=u({module:t[h][l]}),void 0!==i&&(o=i[r],a=s(o,{},r,n),y.nestedProperty(e,l).set(x({},a)))}):h===M?void Object.keys(t[h]).forEach(function(i){i===n&&(l=u({module:t[h][i]}),void 0!==l&&(c=l[r],c=s(c,{},r,n),_(e,c)))}):void(e[h]=y.isPlainObject(t[h])?_({},t[h]):t[h])}),e}function l(t){function e(t){return{valType:\"string\"}}function r(t,r,n){I.isValObject(t)?\"data_array\"===t.valType?(t.role=\"data\",n[r+\"src\"]=e(r)):t.arrayOk===!0&&(n[r+\"src\"]=e(r)):y.isPlainObject(t)&&(t.role=\"object\")}I.crawl(t,r)}function u(t){if(\"type\"in t)return\"area\"===t.type?{attributes:L}:g.getModule({type:t.type});var e=g.subplotsRegistry,r=t.module;return e[r]?e[r]:\"module\"in t?m[r]:void 0}function c(t){return Object.keys(t).forEach(function(e){\"_\"===e.charAt(0)&&-1===E.indexOf(e)&&delete t[e]}),t}function h(t){return\"area\"===t?{}:g.modules[t].meta||{}}function f(t){return b(t,{radialaxis:z.radialaxis,angularaxis:z.angularaxis}),b(t,z.layout),t}function d(t){if(\"area\"===t)return{};var e=g.subplotsRegistry,r=Object.keys(e).filter(function(e){return g.traceIs({type:t},e)})[0];return void 0===r?{}:e[r]}function p(t){var e=g.subplotsRegistry;return Object.keys(t).forEach(function(r){Object.keys(e).forEach(function(n){var i,o=e[n];o.attrRegex&&(i=\"cartesian\"===n||\"gl2d\"===n?o.attrRegex.x.test(r)||o.attrRegex.y.test(r):o.attrRegex.test(r),i&&(t[r][k]=!0))})}),t}function v(t){function e(t,e,r){if(t[A]===!0){var n=e.substr(0,e.length-1);delete t[A],r[e]={items:{}},r[e].items[n]=t,r[e].role=\"object\"}}I.crawl(t,e)}var m=t(\"../plotly\"),g=t(\"../plots/plots\"),y=t(\"../lib\"),b=y.extendFlat,x=y.extendDeep,_=y.extendDeepAll,w=\"_nestedModules\",M=\"_composedModules\",k=\"_isSubplotObj\",A=\"_isLinkedToArray\",T=\"_deprecated\",E=[k,A,T],S={traces:{},layout:{},transforms:{},defs:{}},L=t(\"../plots/polar/area_attributes\"),z=t(\"../plots/polar/axis_attributes\"),I=e.exports={};I.get=function(){return g.allTypes.concat(\"area\").forEach(n),i(),Object.keys(g.transformsRegistry).forEach(o),a(),S},I.crawl=function(t,e){Object.keys(t).forEach(function(r){var n=t[r];-1===E.indexOf(r)&&(e(n,r,t),I.isValObject(n)||y.isPlainObject(n)&&I.crawl(n,e))})},I.isValObject=function(t){return t&&void 0!==t.valType}},{\"../lib\":568,\"../plotly\":589,\"../plots/plots\":648,\"../plots/polar/area_attributes\":649,\"../plots/polar/axis_attributes\":650}],586:[function(t,e,r){\"use strict\";var n=t(\"../plotly\"),i=t(\"../lib\");e.exports=function(t){return i.extendFlat(n.defaultConfig,t)}},{\"../lib\":568,\"../plotly\":589}],587:[function(t,e,r){\"use strict\";function n(e,r){var n=t(\"../snapshot\"),s=new Promise(function(t,s){function l(){var t=n.getDelay(h._fullLayout);return new Promise(function(e,i){setTimeout(function(){var t=n.toSVG(h),o=document.createElement(\"canvas\");o.id=a.randstr(),n.svgToImg({format:r.format,width:h._fullLayout.width,height:h._fullLayout.height,canvas:o,svg:t,promise:!0}).then(function(t){h&&document.body.removeChild(h),e(t)}).catch(function(t){i(t)})},t)})}r=r||{},r.format=r.format||\"png\";var u=function(t){return void 0===t||null===t?!0:!!(i(t)&&t>1)};u(r.width)&&u(r.height)||s(new Error(\"Height and width should be pixel values.\"));var c=n.clone(e,{format:\"png\",height:r.height,width:r.width}),h=c.td;h.style.position=\"absolute\",h.style.left=\"-5000px\",document.body.appendChild(h);var f=n.getRedrawFunc(h);o.plot(h,c.data,c.layout,c.config).then(f).then(l).then(function(e){t(e)}).catch(function(t){s(t)})});return s}var i=t(\"fast-isnumeric\"),o=t(\"../plotly\"),a=t(\"../lib\");e.exports=n},{\"../lib\":568,\"../plotly\":589,\"../snapshot\":665,\"fast-isnumeric\":123}],588:[function(t,e,r){\"use strict\";function n(t,e,r,i,o,u){u=u||[];for(var c=Object.keys(t),f=0;f<c.length;f++){var d=c[f];if(\"transforms\"!==d){var m=u.slice();m.push(d);var g=t[d],y=e[d],b=l(r,d),x=\"info_array\"===(b||{}).valType;if(s(r,d))if(p(g)&&p(y))n(g,y,b,i,o,m);else if(b.items&&!x&&v(g)){var _,w,M=d.substr(0,d.length-1),k=[];for(_=0;_<y.length;_++){var A=b.items[M],T=y[_]._index||_;w=m.slice(),w.push(T),p(g[T])&&p(y[_])&&(k.push(T),n(g[T],y[_],A,i,o,w))}for(_=0;_<g.length;_++)w=m.slice(),w.push(_),p(g[_])?-1===k.indexOf(_)&&i.push(a(\"unused\",o,w)):i.push(a(\"object\",o,w,g[_]))}else!p(g)&&p(y)?i.push(a(\"object\",o,m,g)):v(g)||!v(y)||x?d in e?h.validate(g,b)||i.push(a(\"value\",o,m,g)):i.push(a(\"unused\",o,m,g)):i.push(a(\"array\",o,m,g));else i.push(a(\"schema\",o,m))}}return i}function i(t,e){for(var r=0;r<e.length;r++){var n=e[r].type,i=t.traces[n].layoutAttributes;i&&h.extendFlat(t.layout.layoutAttributes,i)}return t.layout.layoutAttributes}function o(t){return v(t)?\"In data trace \"+t[1]+\", \":\"In \"+t+\", \"}function a(t,e,r,n){r=r||\"\";var i,o;v(e)?(i=e[0],o=e[1]):(i=e,o=null);var a=c(r),s=m[t](e,a,n);return h.log(s),{code:t,container:i,trace:o,path:r,astr:a,msg:s}}function s(t,e){var r=u(e),n=r.keyMinusId,i=r.id;return n in t&&t[n]._isSubplotObj&&i?!0:e in t}function l(t,e){var r=u(e);return t[r.keyMinusId]}function u(t){var e=/([2-9]|[1-9][0-9]+)$/,r=t.split(e)[0],n=t.substr(r.length,t.length);return{keyMinusId:r,id:n}}function c(t){if(!v(t))return String(t);for(var e=\"\",r=0;r<t.length;r++){var n=t[r];\"number\"==typeof n?e=e.substr(0,e.length-1)+\"[\"+n+\"]\":e+=n,r<t.length-1&&(e+=\".\")}return e}var h=t(\"../lib\"),f=t(\"../plots/plots\"),d=t(\"./plot_schema\"),p=h.isPlainObject,v=Array.isArray;e.exports=function(t,e){var r,o,s=d.get(),l=[],u={};v(t)?(u.data=h.extendDeep([],t),r=t):(u.data=[],r=[],l.push(a(\"array\",\"data\"))),p(e)?(u.layout=h.extendDeep({},e),o=e):(u.layout={},o={},arguments.length>1&&l.push(a(\"object\",\"layout\"))),f.supplyDefaults(u);for(var c=u._fullData,m=r.length,g=0;m>g;g++){var y=r[g],b=[\"data\",g];if(p(y)){var x=c[g],_=x.type,w=s.traces[_].attributes;w.type={valType:\"enumerated\",values:[_]},x.visible===!1&&y.visible!==!1&&l.push(a(\"invisible\",b)),n(y,x,w,l,b);var M=y.transforms,k=x.transforms;if(M){v(M)||l.push(a(\"array\",b,[\"transforms\"])),b.push(\"transforms\");for(var A=0;A<M.length;A++){var T=[\"transforms\",A],E=M[A].type;if(p(M[A])){var S=s.transforms[E]?s.transforms[E].attributes:{};S.type={valType:\"enumerated\",values:Object.keys(s.transforms)},n(M[A],k[A],S,l,b,T)}else l.push(a(\"object\",b,T))}}}else l.push(a(\"object\",b))}var L=u._fullLayout,z=i(s,c);return n(o,L,z,l,\"layout\"),0===l.length?void 0:l};var m={object:function(t,e){var r;return r=\"layout\"===t&&\"\"===e?\"The layout argument\":\"data\"===t[0]&&\"\"===e?\"Trace \"+t[1]+\" in the data argument\":o(t)+\"key \"+e,r+\" must be linked to an object container\"},array:function(t,e){var r;return r=\"data\"===t?\"The data argument\":o(t)+\"key \"+e,r+\" must be linked to an array container\"},schema:function(t,e){return o(t)+\"key \"+e+\" is not part of the schema\"},unused:function(t,e,r){var n=p(r)?\"container\":\"key\";return o(t)+n+\" \"+e+\" did not get coerced\"},invisible:function(t){return\"Trace \"+t[1]+\" got defaulted to be not visible\"},value:function(t,e,r){return[o(t)+\"key \"+e,\"is set to an invalid value (\"+r+\")\"].join(\" \")}}},{\"../lib\":568,\"../plots/plots\":648,\"./plot_schema\":585}],589:[function(t,e,r){\"use strict\";t(\"es6-promise\").polyfill();var n=r.Lib=t(\"./lib\");r.util=t(\"./lib/svg_text_utils\"),r.Queue=t(\"./lib/queue\"),t(\"../build/plotcss\"),r.MathJaxConfig=t(\"./fonts/mathjax_config\"),r.defaultConfig=t(\"./plot_api/plot_config\");var i=r.Plots=t(\"./plots/plots\");r.Axes=t(\"./plots/cartesian/axes\"),r.Fx=t(\"./plots/cartesian/graph_interact\"),r.micropolar=t(\"./plots/polar/micropolar\"),r.Color=t(\"./components/color\"),r.Drawing=t(\"./components/drawing\"),r.Colorscale=t(\"./components/colorscale\"),r.Colorbar=t(\"./components/colorbar\"),r.ErrorBars=t(\"./components/errorbars\"),r.Annotations=t(\"./components/annotations\"),r.Shapes=t(\"./components/shapes\"),r.Legend=t(\"./components/legend\"),r.Images=t(\"./components/images\"),r.UpdateMenus=t(\"./components/updatemenus\"),r.ModeBar=t(\"./components/modebar\"),r.register=function(t){if(!t)throw new Error(\"No argument passed to Plotly.register.\");t&&!Array.isArray(t)&&(t=[t]);for(var e=0;e<t.length;e++){var r=t[e];if(!r)throw new Error(\"Invalid module was attempted to be registered!\");switch(r.moduleType){case\"trace\":i.register(r,r.name,r.categories,r.meta),i.subplotsRegistry[r.basePlotModule.name]||i.registerSubplot(r.basePlotModule);break;case\"transform\":if(\"string\"!=typeof r.name)throw new Error(\"Transform module *name* must be a string.\");var o=\"Transform module \"+r.name;if(\"function\"!=typeof r.transform)throw new Error(o+\" is missing a *transform* function.\");n.isPlainObject(r.attributes)||n.log(o+\" registered without an *attributes* object.\"),\"function\"!=typeof r.supplyDefaults&&n.log(o+\" registered without a *supplyDefaults* function.\"),i.transformsRegistry[r.name]=r;break;default:throw new Error(\"Invalid module was attempted to be registered!\")}}},r.register(t(\"./traces/scatter\")),t(\"./plot_api/plot_api\"),r.PlotSchema=t(\"./plot_api/plot_schema\"),r.Snapshot=t(\"./snapshot\")},{\"../build/plotcss\":1,\"./components/annotations\":481,\"./components/color\":483,\"./components/colorbar\":488,\"./components/colorscale\":497,\"./components/drawing\":506,\"./components/errorbars\":512,\"./components/images\":518,\"./components/legend\":526,\"./components/modebar\":529,\"./components/shapes\":545,\"./components/updatemenus\":551,\"./fonts/mathjax_config\":558,\"./lib\":568,\"./lib/queue\":575,\"./lib/svg_text_utils\":581,\"./plot_api/plot_api\":583,\"./plot_api/plot_config\":584,\"./plot_api/plot_schema\":585,\"./plots/cartesian/axes\":592,\"./plots/cartesian/graph_interact\":599,\"./plots/plots\":648,\"./plots/polar/micropolar\":651,\"./snapshot\":665,\"./traces/scatter\":760,\"es6-promise\":122}],590:[function(t,e,r){\"use strict\";e.exports={type:{valType:\"enumerated\",values:[],dflt:\"scatter\"},visible:{valType:\"enumerated\",values:[!0,!1,\"legendonly\"],dflt:!0},showlegend:{valType:\"boolean\",dflt:!0},legendgroup:{valType:\"string\",dflt:\"\"},opacity:{valType:\"number\",min:0,max:1,dflt:1},name:{valType:\"string\"},uid:{valType:\"string\",dflt:\"\"},hoverinfo:{valType:\"flaglist\",flags:[\"x\",\"y\",\"z\",\"text\",\"name\"],extras:[\"all\",\"none\"],dflt:\"all\"},stream:{token:{valType:\"string\",noBlank:!0,strict:!0},maxpoints:{valType:\"number\",min:0}}}},{}],591:[function(t,e,r){\"use strict\";e.exports={xaxis:{valType:\"subplotid\",dflt:\"x\"},yaxis:{valType:\"subplotid\",dflt:\"y\"}}},{}],592:[function(t,e,r){\"use strict\";function n(t){var e,r,n=t.tickvals,i=t.ticktext,o=new Array(n.length),a=1.0001*t.range[0]-1e-4*t.range[1],l=1.0001*t.range[1]-1e-4*t.range[0],u=Math.min(a,l),c=Math.max(a,l),h=0;for(Array.isArray(i)||(i=[]),r=0;r<n.length;r++)e=t.d2l(n[r]),e>u&&c>e&&(void 0===i[r]?o[h]=T.tickText(t,e):o[h]=s(t,e,String(i[r])),h++);return h<n.length&&o.splice(h,n.length-h),o}function i(t,e,r){return e*_.roundUp(t/e,r)}function o(t){var e,r=t.dtick;if(t._tickexponent=0,b(r)||\"string\"==typeof r||(r=1),\"category\"===t.type)t._tickround=null;else if(b(r)||\"L\"===r.charAt(0))if(\"date\"===t.type)r>=864e5?t._tickround=\"d\":r>=36e5?t._tickround=\"H\":r>=6e4?t._tickround=\"M\":r>=1e3?t._tickround=\"S\":t._tickround=3-Math.round(Math.log(r/2)/Math.LN10);else{b(r)||(r=Number(r.substr(1))),t._tickround=2-Math.floor(Math.log(r)/Math.LN10+.01),e=\"log\"===t.type?Math.pow(10,Math.max(t.range[0],t.range[1])):Math.max(Math.abs(t.range[0]),Math.abs(t.range[1]));var n=Math.floor(Math.log(e)/Math.LN10+.01);Math.abs(n)>3&&(\"SI\"===t.exponentformat||\"B\"===t.exponentformat?t._tickexponent=3*Math.round((n-1)/3):t._tickexponent=n)}else\"M\"===r.charAt(0)?t._tickround=2===r.length?\"m\":\"y\":t._tickround=null}function a(t,e){var r=t.match(U),n=new Date(e);if(r){var i=Math.min(+r[1]||6,6),o=String(e/1e3%1+2.0000005).substr(2,i).replace(/0+$/,\"\")||\"0\";return y.time.format(t.replace(U,o))(n)}return y.time.format(t)(n)}function s(t,e,r){var n=t.tickfont||t._gd._fullLayout.font;return{x:e,dx:0,dy:0,text:r||\"\",fontSize:n.size,font:n.family,fontColor:n.color}}function l(t,e,r,n){var i,o=e.x,s=t._tickround,l=new Date(o),u=\"\";r&&t.hoverformat?i=a(t.hoverformat,o):t.tickformat?i=a(t.tickformat,o):(n&&(b(s)?s+=2:s={y:\"m\",m:\"d\",d:\"H\",H:\"M\",M:\"S\",S:2}[s]),\"y\"===s?i=D(l):\"m\"===s?i=O(l):(o!==t._tmin||r||(u=\"<br>\"+D(l)),\"d\"===s?i=F(l):\"H\"===s?i=j(l):(o!==t._tmin||r||(u=\"<br>\"+F(l)+\", \"+D(l)),i=N(l),\"M\"!==s&&(i+=B(l),\"S\"!==s&&(i+=f(g(o/1e3,1),t,\"none\",r).substr(1)))))),e.text=i+u}function u(t,e,r,n,i){var o=t.dtick,a=e.x;if(!n||\"string\"==typeof o&&\"L\"===o.charAt(0)||(o=\"L3\"),t.tickformat||\"string\"==typeof o&&\"L\"===o.charAt(0))e.text=f(Math.pow(10,a),t,i,n);else if(b(o)||\"D\"===o.charAt(0)&&g(a+.01,1)<.1)if(-1!==[\"e\",\"E\",\"power\"].indexOf(t.exponentformat)){var s=Math.round(a);0===s?e.text=1:1===s?e.text=\"10\":s>1?e.text=\"10<sup>\"+s+\"</sup>\":e.text=\"10<sup>\\u2212\"+-s+\"</sup>\",e.fontSize*=1.25}else e.text=f(Math.pow(10,a),t,\"\",\"fakehover\"),\"D1\"===o&&\"y\"===t._id.charAt(0)&&(e.dy-=e.fontSize/6);else{if(\"D\"!==o.charAt(0))throw\"unrecognized dtick \"+String(o);e.text=String(Math.round(Math.pow(10,g(a,1)))),e.fontSize*=.75}if(\"D1\"===t.dtick){var l=String(e.text).charAt(0);\"0\"!==l&&\"1\"!==l||(\"y\"===t._id.charAt(0)?e.dx-=e.fontSize/4:(e.dy+=e.fontSize/2,e.dx+=(t.range[1]>t.range[0]?1:-1)*e.fontSize*(0>a?.5:.25)))}}function c(t,e){var r=t._categories[Math.round(e.x)];void 0===r&&(r=\"\"),e.text=String(r)}function h(t,e,r,n,i){\"all\"===t.showexponent&&Math.abs(e.x/t.dtick)<1e-6&&(i=\"hide\"),e.text=f(e.x,t,i,n)}function f(t,e,r,n){var i=0>t,a=e._tickround,s=r||e.exponentformat||\"B\",l=e._tickexponent,u=e.tickformat;if(n){var c={exponentformat:e.exponentformat,dtick:\"none\"===e.showexponent?e.dtick:b(t)?Math.abs(t)||1:1,range:\"none\"===e.showexponent?e.range:[0,t||1]};o(c),a=(Number(c._tickround)||0)+4,l=c._tickexponent,e.hoverformat&&(u=e.hoverformat)}if(u)return y.format(u)(t).replace(/-/g,\"\\u2212\");var h=Math.pow(10,-a)/2;if(\"none\"===s&&(l=0),t=Math.abs(t),h>t)t=\"0\",i=!1;else{if(t+=h,l&&(t*=Math.pow(10,-l),a+=l),0===a)t=String(Math.floor(t));else if(0>a){t=String(Math.round(t)),t=t.substr(0,t.length+a);for(var f=a;0>f;f++)t+=\"0\"}else{t=String(t);var d=t.indexOf(\".\")+1;d&&(t=t.substr(0,d+a).replace(/\\.?0+$/,\"\"))}t=_.numSeparate(t,e._gd._fullLayout.separators)}if(l&&\"hide\"!==s){var p;p=0>l?\"\\u2212\"+-l:\"power\"!==s?\"+\"+l:String(l),\"e\"===s||(\"SI\"===s||\"B\"===s)&&(l>12||-15>l)?t+=\"e\"+p:\"E\"===s?t+=\"E\"+p:\"power\"===s?t+=\"\\xd710<sup>\"+p+\"</sup>\":\"B\"===s&&9===l?t+=\"B\":\"SI\"!==s&&\"B\"!==s||(t+=V[l/3+5])}return i?\"\\u2212\"+t:t}function d(t,e){var r,n,i=[];for(r=0;r<e.length;r++){var o=[],a=t._fullData[e[r]].xaxis,s=t._fullData[e[r]].yaxis;if(a&&s){for(n=0;n<i.length;n++)-1===i[n].x.indexOf(a)&&-1===i[n].y.indexOf(s)||o.push(n);if(o.length){var l,u=i[o[0]];if(o.length>1)for(n=1;n<o.length;n++)l=i[o[n]],p(u.x,l.x),p(u.y,l.y);p(u.x,[a]),p(u.y,[s])}else i.push({x:[a],y:[s]})}}return i}function p(t,e){for(var r=0;r<e.length;r++)-1===t.indexOf(e[r])&&t.push(e[r])}function v(t,e,r){var n,i,o=[],a=[],s=t.layout;for(n=0;n<e.length;n++)o.push(T.getFromId(t,e[n]));for(n=0;n<r.length;n++)a.push(T.getFromId(t,r[n]));var l=Object.keys(o[0]),u=[\"anchor\",\"domain\",\"overlaying\",\"position\",\"side\",\"tickangle\"],c=[\"linear\",\"log\"];for(n=0;n<l.length;n++){var h=l[n],f=o[0][h],d=a[0][h],p=!0,v=!1,g=!1;if(\"_\"!==h.charAt(0)&&\"function\"!=typeof f&&-1===u.indexOf(h)){for(i=1;i<o.length&&p;i++){var y=o[i][h];\"type\"===h&&-1!==c.indexOf(f)&&-1!==c.indexOf(y)&&f!==y?v=!0:y!==f&&(p=!1)}for(i=1;i<a.length&&p;i++){var b=a[i][h];\"type\"===h&&-1!==c.indexOf(d)&&-1!==c.indexOf(b)&&d!==b?g=!0:a[i][h]!==d&&(p=!1)}p&&(v&&(s[o[0]._name].type=\"linear\"),g&&(s[a[0]._name].type=\"linear\"),m(s,h,o,a))}}for(n=0;n<t._fullLayout.annotations.length;n++){var x=t._fullLayout.annotations[n];-1!==e.indexOf(x.xref)&&-1!==r.indexOf(x.yref)&&_.swapAttrs(s.annotations[n],[\"?\"])}}function m(t,e,r,n){var i,o=_.nestedProperty,a=o(t[r[0]._name],e).get(),s=o(t[n[0]._name],e).get();for(\"title\"===e&&(\"Click to enter X axis title\"===a&&(a=\"Click to enter Y axis title\"),\"Click to enter Y axis title\"===s&&(s=\"Click to enter X axis title\")),i=0;i<r.length;i++)o(t,r[i]._name+\".\"+e).set(s);for(i=0;i<n.length;i++)o(t,n[i]._name+\".\"+e).set(a)}function g(t,e){return(t%e+e)%e}var y=t(\"d3\"),b=t(\"fast-isnumeric\"),x=t(\"../../plotly\"),_=t(\"../../lib\"),w=t(\"../../lib/svg_text_utils\"),M=t(\"../../components/titles\"),k=t(\"../../components/color\"),A=t(\"../../components/drawing\"),T=e.exports={};T.layoutAttributes=t(\"./layout_attributes\"),T.supplyLayoutDefaults=t(\"./layout_defaults\"),T.setConvert=t(\"./set_convert\");var E=t(\"./axis_ids\");T.id2name=E.id2name,T.cleanId=E.cleanId,T.list=E.list,T.listIds=E.listIds,T.getFromId=E.getFromId,T.getFromTrace=E.getFromTrace,T.coerceRef=function(t,e,r,n,i){var o=r._fullLayout._has(\"gl2d\")?[]:T.listIds(r,n),a=n+\"ref\",s={};return s[a]={valType:\"enumerated\",values:o.concat([\"paper\"]),dflt:i||o[0]||\"paper\"},_.coerce(t,e,s,a)},T.coerceARef=function(t,e,r,n,i){var o=r._fullLayout._has(\"gl2d\")?[]:T.listIds(r,n),a=\"a\"+n+\"ref\",s={};return s[a]={valType:\"enumerated\",values:o.concat([\"pixel\"]),dflt:i||\"pixel\"||o[0]},_.coerce(t,e,s,a)},T.clearTypes=function(t,e){Array.isArray(e)&&e.length||(e=t._fullData.map(function(t,e){return e})),e.forEach(function(e){var r=t.data[e];delete(T.getFromId(t,r.xaxis)||{}).type,delete(T.getFromId(t,r.yaxis)||{}).type})},T.counterLetter=function(t){var e=t.charAt(0);return\"x\"===e?\"y\":\"y\"===e?\"x\":void 0},T.minDtick=function(t,e,r,n){-1===[\"log\",\"category\"].indexOf(t.type)&&n?null===t._minDtick?(t._minDtick=e,t._forceTick0=r):t._minDtick&&((t._minDtick/e+1e-6)%1<2e-6&&((r-t._forceTick0)/e%1+1.000001)%1<2e-6?(t._minDtick=e,t._forceTick0=r):((e/t._minDtick+1e-6)%1>2e-6||((r-t._forceTick0)/t._minDtick%1+1.000001)%1>2e-6)&&(t._minDtick=0)):t._minDtick=0},T.getAutoRange=function(t){var e,r=[],n=t._min[0].val,i=t._max[0].val;for(e=1;e<t._min.length&&n===i;e++)n=Math.min(n,t._min[e].val);for(e=1;e<t._max.length&&n===i;e++)i=Math.max(i,t._max[e].val);var o,a,s,l,u,c,h,f=0,d=t.range&&t.range[1]<t.range[0];for(\"reversed\"===t.autorange&&(d=!0,t.autorange=!0),e=0;e<t._min.length;e++)for(a=t._min[e],o=0;o<t._max.length;o++)s=t._max[o],h=s.val-a.val,c=t._length-a.pad-s.pad,h>0&&c>0&&h/c>f&&(l=a,u=s,f=h/c);if(n===i){var p=n-1,v=n+1;r=\"tozero\"===t.rangemode?0>n?[p,0]:[0,v]:\"nonnegative\"===t.rangemode?[Math.max(0,p),Math.max(0,v)]:[p,v]}else f&&(\"linear\"!==t.type&&\"-\"!==t.type||(\"tozero\"===t.rangemode?(l.val>=0&&(l={val:0,pad:0}),u.val<=0&&(u={val:0,pad:0})):\"nonnegative\"===t.rangemode&&(l.val-f*l.pad<0&&(l={val:0,pad:0}),u.val<0&&(u={val:1,pad:0})),f=(u.val-l.val)/(t._length-l.pad-u.pad)),r=[l.val-f*l.pad,u.val+f*u.pad]);return r[0]===r[1]&&(\"tozero\"===t.rangemode?r=r[0]<0?[r[0],0]:r[0]>0?[0,r[0]]:[0,1]:(r=[r[0]-1,r[0]+1],\"nonnegative\"===t.rangemode&&(r[0]=Math.max(0,r[0])))),d&&r.reverse(),r},T.doAutoRange=function(t){t._length||t.setScale();var e=t._min&&t._max&&t._min.length&&t._max.length;if(t.autorange&&e){t.range=T.getAutoRange(t);var r=t._gd.layout[t._name];r||(t._gd.layout[t._name]=r={}),r!==t&&(r.range=t.range.slice(),r.autorange=t.autorange)}},T.saveRangeInitial=function(t,e){for(var r=T.list(t,\"\",!0),n=!1,i=0;i<r.length;i++){var o=r[i],a=void 0===o._rangeInitial,s=a||!(o.range[0]===o._rangeInitial[0]&&o.range[1]===o._rangeInitial[1]);(a&&o.autorange===!1||e&&s)&&(o._rangeInitial=o.range.slice(),n=!0)}return n};var S=Number.MAX_VALUE/2;T.expand=function(t,e,r){function n(t){if(Array.isArray(t))return function(e){return Math.max(Number(t[e]||0),0)};var e=Math.max(Number(t||0),0);return function(){return e}}function i(r){function n(t){return b(t)&&Math.abs(t)<S}if(l=e[r],b(l)){if(h=x(r)+g,f=_(r)+g,p=l-M(r),v=l+w(r),\"log\"===t.type&&v/10>p&&(p=v/10),u=t.c2l(p),c=t.c2l(v),y&&(u=Math.min(0,u),c=Math.max(0,c)),n(u)){for(d=!0,a=0;a<t._min.length&&d;a++)s=t._min[a],\ns.val<=u&&s.pad>=f?d=!1:s.val>=u&&s.pad<=f&&(t._min.splice(a,1),a--);d&&t._min.push({val:u,pad:y&&0===u?0:f})}if(n(c)){for(d=!0,a=0;a<t._max.length&&d;a++)s=t._max[a],s.val>=c&&s.pad>=h?d=!1:s.val<=c&&s.pad<=h&&(t._max.splice(a,1),a--);d&&t._max.push({val:c,pad:y&&0===c?0:h})}}}if((t.autorange||t._needsExpand)&&e){t._min||(t._min=[]),t._max||(t._max=[]),r||(r={}),t._m||t.setScale();var o,a,s,l,u,c,h,f,d,p,v,m=e.length,g=r.padded?.05*t._length:0,y=r.tozero&&(\"linear\"===t.type||\"-\"===t.type),x=n((t._m>0?r.ppadplus:r.ppadminus)||r.ppad||0),_=n((t._m>0?r.ppadminus:r.ppadplus)||r.ppad||0),w=n(r.vpadplus||r.vpad),M=n(r.vpadminus||r.vpad);for(o=0;6>o;o++)i(o);for(o=m-1;o>5;o--)i(o)}},T.autoBin=function(t,e,r,n){function i(t){return(1+100*(t-d)/h.dtick)%100<2}var o=_.aggNums(Math.min,null,t),a=_.aggNums(Math.max,null,t);if(\"category\"===e.type)return{start:o-.5,end:a+.5,size:1};var s;if(r)s=(a-o)/r;else{var l=_.distinctVals(t),u=Math.pow(10,Math.floor(Math.log(l.minDiff)/Math.LN10)),c=u*_.roundUp(l.minDiff/u,[.9,1.9,4.9,9.9],!0);s=Math.max(c,2*_.stdev(t)/Math.pow(t.length,n?.25:.4))}var h={type:\"log\"===e.type?\"linear\":e.type,range:[o,a]};T.autoTicks(h,s);var f,d=T.tickIncrement(T.tickFirst(h),h.dtick,\"reverse\");if(\"number\"==typeof h.dtick){for(var p=0,v=0,m=0,g=0,y=0;y<t.length;y++)t[y]%1===0?m++:b(t[y])||g++,i(t[y])&&p++,i(t[y]+h.dtick/2)&&v++;var x=t.length-g;if(m===x&&\"date\"!==e.type)h.dtick<1?d=o-.5*h.dtick:d-=.5;else if(.1*x>v&&(p>.3*x||i(o)||i(a))){var w=h.dtick/2;d+=o>d+w?w:-w}var M=1+Math.floor((a-d)/h.dtick);f=d+M*h.dtick}else for(f=d;a>=f;)f=T.tickIncrement(f,h.dtick);return{start:d,end:f,size:h.dtick}},T.calcTicks=function(t){if(\"array\"===t.tickmode)return n(t);if(\"auto\"===t.tickmode||!t.dtick){var e,r=t.nticks;r||(\"category\"===t.type?(e=t.tickfont?1.2*(t.tickfont.size||12):15,r=t._length/e):(e=\"y\"===t._id.charAt(0)?40:80,r=_.constrain(t._length/e,4,9)+1)),T.autoTicks(t,Math.abs(t.range[1]-t.range[0])/r),t._minDtick>0&&t.dtick<2*t._minDtick&&(t.dtick=t._minDtick,t.tick0=t._forceTick0)}t.tick0||(t.tick0=\"date\"===t.type?new Date(2e3,0,1).getTime():0),o(t),t._tmin=T.tickFirst(t);var i=t.range[1]<t.range[0],a=[],s=1.0001*t.range[1]-1e-4*t.range[0];\"category\"===t.type&&(s=i?Math.max(-.5,s):Math.min(t._categories.length-.5,s));for(var l=t._tmin;(i?l>=s:s>=l)&&(a.push(l),!(a.length>1e3));l=T.tickIncrement(l,t.dtick,i));t._tmax=a[a.length-1];for(var u=new Array(a.length),c=0;c<a.length;c++)u[c]=T.tickText(t,a[c]);return u};var L=[2,5,10],z=[1,2,3,6,12],I=[1,2,5,10,15,30],P=[1,2,3,7,14],C=[-.046,0,.301,.477,.602,.699,.778,.845,.903,.954,1],R=[-.301,0,.301,.699,1];T.autoTicks=function(t,e){var r;if(\"date\"===t.type)t.tick0=new Date(2e3,0,1).getTime(),e>157788e5?(e/=315576e5,r=Math.pow(10,Math.floor(Math.log(e)/Math.LN10)),t.dtick=\"M\"+12*i(e,r,L)):e>12096e5?(e/=26298e5,t.dtick=\"M\"+i(e,1,z)):e>432e5?(t.dtick=i(e,864e5,P),t.tick0=new Date(2e3,0,2).getTime()):e>18e5?t.dtick=i(e,36e5,z):e>3e4?t.dtick=i(e,6e4,I):e>500?t.dtick=i(e,1e3,I):(r=Math.pow(10,Math.floor(Math.log(e)/Math.LN10)),t.dtick=i(e,r,L));else if(\"log\"===t.type)if(t.tick0=0,e>.7)t.dtick=Math.ceil(e);else if(Math.abs(t.range[1]-t.range[0])<1){var n=1.5*Math.abs((t.range[1]-t.range[0])/e);e=Math.abs(Math.pow(10,t.range[1])-Math.pow(10,t.range[0]))/n,r=Math.pow(10,Math.floor(Math.log(e)/Math.LN10)),t.dtick=\"L\"+i(e,r,L)}else t.dtick=e>.3?\"D2\":\"D1\";else\"category\"===t.type?(t.tick0=0,t.dtick=Math.ceil(Math.max(e,1))):(t.tick0=0,r=Math.pow(10,Math.floor(Math.log(e)/Math.LN10)),t.dtick=i(e,r,L));if(0===t.dtick&&(t.dtick=1),!b(t.dtick)&&\"string\"!=typeof t.dtick){var o=t.dtick;throw t.dtick=1,\"ax.dtick error: \"+String(o)}},T.tickIncrement=function(t,e,r){var n=r?-1:1;if(b(e))return t+n*e;var i=e.charAt(0),o=n*Number(e.substr(1));if(\"M\"===i){var a=new Date(t);return a.setMonth(a.getMonth()+o)}if(\"L\"===i)return Math.log(Math.pow(10,t)+o)/Math.LN10;if(\"D\"===i){var s=\"D2\"===e?R:C,l=t+.01*n,u=_.roundUp(g(l,1),s,r);return Math.floor(l)+Math.log(y.round(Math.pow(10,u),1))/Math.LN10}throw\"unrecognized dtick \"+String(e)},T.tickFirst=function(t){var e=t.range[1]<t.range[0],r=e?Math.floor:Math.ceil,n=1.0001*t.range[0]-1e-4*t.range[1],i=t.dtick,o=t.tick0;if(b(i)){var a=r((n-o)/i)*i+o;return\"category\"===t.type&&(a=_.constrain(a,0,t._categories.length-1)),a}var s,l,u,c=i.charAt(0),h=Number(i.substr(1));if(\"M\"===c){for(s=new Date(o),n=new Date(n),l=12*(n.getFullYear()-s.getFullYear())+n.getMonth()-s.getMonth(),u=s.setMonth(s.getMonth()+(Math.round(l/h)+(e?1:-1))*h);e?u>n:n>u;)u=T.tickIncrement(u,i,e);return u}if(\"L\"===c)return Math.log(r((Math.pow(10,n)-o)/h)*h+o)/Math.LN10;if(\"D\"===c){var f=\"D2\"===i?R:C,d=_.roundUp(g(n,1),f,e);return Math.floor(n)+Math.log(y.round(Math.pow(10,d),1))/Math.LN10}throw\"unrecognized dtick \"+String(i)};var D=y.time.format(\"%Y\"),O=y.time.format(\"%b %Y\"),F=y.time.format(\"%b %-d\"),j=y.time.format(\"%b %-d %Hh\"),N=y.time.format(\"%H:%M\"),B=y.time.format(\":%S\"),U=/%(\\d?)f/g;T.tickText=function(t,e,r){function n(n){var i;return void 0===n?!0:r?\"none\"===n:(i={first:t._tmin,last:t._tmax}[n],\"all\"!==n&&e!==i)}var i,o,a=s(t,e),f=\"array\"===t.tickmode,d=r||f;if(f&&Array.isArray(t.ticktext)){var p=Math.abs(t.range[1]-t.range[0])/1e4;for(o=0;o<t.ticktext.length&&!(Math.abs(e-t.d2l(t.tickvals[o]))<p);o++);if(o<t.ticktext.length)return a.text=String(t.ticktext[o]),a}return i=\"none\"!==t.exponentformat&&n(t.showexponent)?\"hide\":\"\",\"date\"===t.type?l(t,a,r,d):\"log\"===t.type?u(t,a,r,d,i):\"category\"===t.type?c(t,a):h(t,a,r,d,i),t.tickprefix&&!n(t.showtickprefix)&&(a.text=t.tickprefix+a.text),t.ticksuffix&&!n(t.showticksuffix)&&(a.text+=t.ticksuffix),a};var V=[\"f\",\"p\",\"n\",\"\\u03bc\",\"m\",\"\",\"k\",\"M\",\"G\",\"T\"];T.subplotMatch=/^x([0-9]*)y([0-9]*)$/,T.getSubplots=function(t,e){function r(t,e){return-1!==t.indexOf(e._id)}var n,i,o,a=[],s=t.data||[];for(n=0;n<s.length;n++){var l=s[n];if(l.visible!==!1&&\"legendonly\"!==l.visible&&(x.Plots.traceIs(l,\"cartesian\")||x.Plots.traceIs(l,\"gl2d\"))){var u=l.xaxis||\"x\",c=l.yaxis||\"y\";o=u+c,-1===a.indexOf(o)&&a.push(o)}}var h=T.list(t,\"\",!0);for(n=0;n<h.length;n++){var f=h[n],d=f._id.charAt(0),p=\"free\"===f.anchor?\"x\"===d?\"y\":\"x\":f.anchor,v=T.getFromId(t,p),m=!1;for(i=0;i<a.length;i++)if(r(a[i],f)){m=!0;break}\"free\"===f.anchor&&m||v&&(o=\"x\"===d?f._id+v._id:v._id+f._id,-1===a.indexOf(o)&&a.push(o))}var g=T.subplotMatch,y=[];for(n=0;n<a.length;n++)o=a[n],g.test(o)&&y.push(o);return y.sort(function(t,e){var r=t.match(g),n=e.match(g);return r[1]===n[1]?+(r[2]||1)-(n[2]||1):+(r[1]||0)-(n[1]||0)}),e?T.findSubplotsWithAxis(y,e):y},T.findSubplotsWithAxis=function(t,e){for(var r=new RegExp(\"x\"===e._id.charAt(0)?\"^\"+e._id+\"y\":e._id+\"$\"),n=[],i=0;i<t.length;i++){var o=t[i];r.test(o)&&n.push(o)}return n},T.makeClipPaths=function(t){var e,r,n=t._fullLayout,i=n._defs,o={_offset:0,_length:n.width,_id:\"\"},a={_offset:0,_length:n.height,_id:\"\"},s=T.list(t,\"x\",!0),l=T.list(t,\"y\",!0),u=[];for(e=0;e<s.length;e++)for(u.push({x:s[e],y:a}),r=0;r<l.length;r++)0===e&&u.push({x:o,y:l[r]}),u.push({x:s[e],y:l[r]});var c=i.selectAll(\"g.clips\").data([0]);c.enter().append(\"g\").classed(\"clips\",!0);var h=c.selectAll(\".axesclip\").data(u,function(t){return t.x._id+t.y._id});h.enter().append(\"clipPath\").classed(\"axesclip\",!0).attr(\"id\",function(t){return\"clip\"+n._uid+t.x._id+t.y._id}).append(\"rect\"),h.exit().remove(),h.each(function(t){y.select(this).select(\"rect\").attr({x:t.x._offset||0,y:t.y._offset||0,width:t.x._length||1,height:t.y._length||1})})},T.doTicks=function(t,e,r){function n(t){var e=u.l2p(t.x);return e>1&&e<u._length-1}function i(t,e){var r=t.selectAll(\"path.\"+z).data(\"inside\"===u.ticks?V:S,L);e&&u.ticks?(r.enter().append(\"path\").classed(z,1).classed(\"ticks\",1).classed(\"crisp\",1).call(k.stroke,u.tickcolor).style(\"stroke-width\",j+\"px\").attr(\"d\",e),r.attr(\"transform\",d),r.exit().remove()):r.remove()}function o(r,n){function i(t,e){t.each(function(t){var r=p(e),n=y.select(this),i=n.select(\".text-math-group\"),o=d(t)+(b(e)&&0!==+e?\" rotate(\"+e+\",\"+h(t)+\",\"+(f(t)-t.fontSize/2)+\")\":\"\");if(i.empty()){var a=n.select(\"text\").attr({transform:o,\"text-anchor\":r});a.empty()||a.selectAll(\"tspan.line\").attr({x:a.attr(\"x\"),y:a.attr(\"y\")})}else{var s=A.bBox(i.node()).width*{end:-.5,start:.5}[r];i.attr(\"transform\",o+(s?\"translate(\"+s+\",0)\":\"\"))}})}function o(){return T.length&&Promise.all(T)}function s(){if(i(c,u.tickangle),\"x\"===m&&!b(u.tickangle)&&(\"log\"!==u.type||\"D\"!==String(u.dtick).charAt(0))){var t=[];for(c.each(function(e){var r=y.select(this),n=r.select(\".text-math-group\"),i=u.l2p(e.x);n.empty()&&(n=r.select(\"text\"));var o=A.bBox(n.node());t.push({top:0,bottom:10,height:10,left:i-o.width/2,right:i+o.width/2+2,width:o.width+2})}),v=0;v<t.length-1;v++)if(_.bBoxIntersect(t[v],t[v+1])){k=30;break}if(k){var r=Math.abs((S[S.length-1].x-S[0].x)*u._m)/(S.length-1);2.5*M>r&&(k=90),i(c,k)}u._lastangle=k}return a(e),e+\" done\"}function l(){u._boundingBox=r.node().getBoundingClientRect()}var c=r.selectAll(\"g.\"+z).data(S,L);if(!u.showticklabels||!b(n))return c.remove(),void a(e);var h,f,p,g,x;\"x\"===m?(x=\"bottom\"===B?1:-1,h=function(t){return t.dx+D*x},g=n+(R+C)*x,f=function(t){return t.dy+g+t.fontSize*(\"bottom\"===B?1:-.5)},p=function(t){return b(t)&&0!==t&&180!==t?0>t*x?\"end\":\"start\":\"middle\"}):(x=\"right\"===B?1:-1,f=function(t){return t.dy+t.fontSize/2-D*x},h=function(t){return t.dx+n+(R+C+(90===Math.abs(u.tickangle)?t.fontSize/2:0))*x},p=function(t){return b(t)&&90===Math.abs(t)?\"middle\":\"right\"===B?\"start\":\"end\"});var M=0,k=0,T=[];c.enter().append(\"g\").classed(z,1).append(\"text\").attr(\"text-anchor\",\"middle\").each(function(e){var r=y.select(this),n=t._promises.length;r.call(A.setPosition,h(e),f(e)).call(A.font,e.font,e.fontSize,e.fontColor).text(e.text).call(w.convertToTspans),n=t._promises[n],n?T.push(t._promises.pop().then(function(){i(r,u.tickangle)})):i(r,u.tickangle)}),c.exit().remove(),c.each(function(t){M=Math.max(M,t.fontSize)}),i(c,u._lastangle||u.tickangle);var E=_.syncOrAsync([o,s,l]);return E&&E.then&&t._promises.push(E),E}function a(e){if(!r){var n,i,o,a,s=E.getFromId(t,e),l=y.select(t).selectAll(\"g.\"+e+\"tick\"),u={selection:l,side:s.side},h=e.charAt(0),f=t._fullLayout._size,d=1.5,p=s.titlefont.size;if(l.size()){var v=y.select(l.node().parentNode).attr(\"transform\").match(/translate\\(([-\\.\\d]+),([-\\.\\d]+)\\)/);v&&(u.offsetLeft=+v[1],u.offsetTop=+v[2])}\"x\"===h?(i=\"free\"===s.anchor?{_offset:f.t+(1-(s.position||0))*f.h,_length:0}:E.getFromId(t,s.anchor),o=s._offset+s._length/2,a=i._offset+(\"top\"===s.side?-10-p*(d+(s.showticklabels?1:0)):i._length+10+p*(d+(s.showticklabels?1.5:.5))),s.rangeslider&&s.rangeslider.visible&&s._boundingBox&&(a+=(c.height-c.margin.b-c.margin.t)*s.rangeslider.thickness+s._boundingBox.height),u.side||(u.side=\"bottom\")):(i=\"free\"===s.anchor?{_offset:f.l+(s.position||0)*f.w,_length:0}:E.getFromId(t,s.anchor),a=s._offset+s._length/2,o=i._offset+(\"right\"===s.side?i._length+10+p*(d+(s.showticklabels?1:.5)):-10-p*(d+(s.showticklabels?.5:0))),n={rotate:\"-90\",offset:0},u.side||(u.side=\"left\")),M.draw(t,e+\"title\",{propContainer:s,propName:s._name+\".title\",dfltName:h.toUpperCase()+\" axis\",avoid:u,transform:n,attributes:{x:o,y:a,\"text-anchor\":\"middle\"}})}}function s(t,e){return t.visible!==!0||t.xaxis+t.yaxis!==e?!1:x.Plots.traceIs(t,\"bar\")&&t.orientation==={x:\"h\",y:\"v\"}[m]?!0:t.fill&&t.fill.charAt(t.fill.length-1)===m}function l(e,r,i){var o=e.gridlayer,a=e.zerolinelayer,l=e[\"hidegrid\"+m]?[]:V,c=u._gridpath||\"M0,0\"+(\"x\"===m?\"v\":\"h\")+r._length,h=o.selectAll(\"path.\"+I).data(u.showgrid===!1?[]:l,L);if(h.enter().append(\"path\").classed(I,1).classed(\"crisp\",1).attr(\"d\",c).each(function(t){u.zeroline&&(\"linear\"===u.type||\"-\"===u.type)&&Math.abs(t.x)<u.dtick/100&&y.select(this).remove()}),h.attr(\"transform\",d).call(k.stroke,u.gridcolor||\"#ddd\").style(\"stroke-width\",O+\"px\"),h.exit().remove(),a){for(var f=!1,p=0;p<t._fullData.length;p++)if(s(t._fullData[p],i)){f=!0;break}var v=u.range[0]*u.range[1]<=0&&u.zeroline&&(\"linear\"===u.type||\"-\"===u.type)&&l.length&&(f||n({x:0})||!u.showline),g=a.selectAll(\"path.\"+P).data(v?[{x:0}]:[]);g.enter().append(\"path\").classed(P,1).classed(\"zl\",1).classed(\"crisp\",1).attr(\"d\",c),g.attr(\"transform\",d).call(k.stroke,u.zerolinecolor||k.defaultLine).style(\"stroke-width\",F+\"px\"),g.exit().remove()}}var u,c=t._fullLayout,h=!1;if(\"object\"==typeof e)u=e,e=u._id,h=!0;else if(u=T.getFromId(t,e),\"redraw\"===e&&c._paper.selectAll(\"g.subplot\").each(function(t){var e=c._plots[t],r=e.x(),n=e.y();e.xaxislayer.selectAll(\".\"+r._id+\"tick\").remove(),e.yaxislayer.selectAll(\".\"+n._id+\"tick\").remove(),e.gridlayer.selectAll(\"path\").remove(),e.zerolinelayer.selectAll(\"path\").remove()}),!e||\"redraw\"===e)return _.syncOrAsync(T.list(t,\"\",!0).map(function(r){return function(){if(r._id){var n=T.doTicks(t,r._id);return\"redraw\"===e&&(r._r=r.range.slice()),n}}}));u.tickformat||(-1===[\"none\",\"e\",\"E\",\"power\",\"SI\",\"B\"].indexOf(u.exponentformat)&&(u.exponentformat=\"e\"),-1===[\"all\",\"first\",\"last\",\"none\"].indexOf(u.showexponent)&&(u.showexponent=\"all\")),u.range=[+u.range[0],+u.range[1]],u.setScale();var f,d,p,v,m=e.charAt(0),g=T.counterLetter(e),S=T.calcTicks(u),L=function(t){return t.text+t.x+u.mirror},z=e+\"tick\",I=e+\"grid\",P=e+\"zl\",C=(u.linewidth||1)/2,R=(\"outside\"===u.ticks?u.ticklen:1)+(u.linewidth||0),D=0,O=A.crispRound(t,u.gridwidth,1),F=A.crispRound(t,u.zerolinewidth,O),j=A.crispRound(t,u.tickwidth,1);if(u._counterangle&&\"outside\"===u.ticks){var N=u._counterangle*Math.PI/180;R=u.ticklen*Math.cos(N)+(u.linewidth||0),D=u.ticklen*Math.sin(N)}if(\"x\"===m)f=[\"bottom\",\"top\"],d=function(t){return\"translate(\"+u.l2p(t.x)+\",0)\"},p=function(t,e){if(u._counterangle){var r=u._counterangle*Math.PI/180;return\"M0,\"+t+\"l\"+Math.sin(r)*e+\",\"+Math.cos(r)*e}return\"M0,\"+t+\"v\"+e};else{if(\"y\"!==m)return void _.warn(\"Unrecognized doTicks axis:\",e);f=[\"left\",\"right\"],d=function(t){return\"translate(0,\"+u.l2p(t.x)+\")\"},p=function(t,e){if(u._counterangle){var r=u._counterangle*Math.PI/180;return\"M\"+t+\",0l\"+Math.cos(r)*e+\",\"+-Math.sin(r)*e}return\"M\"+t+\",0h\"+e}}var B=u.side||f[0],U=[-1,1,B===f[1]?1:-1];\"inside\"!==u.ticks==(\"x\"===m)&&(U=U.map(function(t){return-t}));var V=S.filter(n);if(h){if(i(u._axislayer,p(u._pos+C*U[2],U[2]*u.ticklen)),u._counteraxis){var q={gridlayer:u._gridlayer,zerolinelayer:u._zerolinelayer};l(q,u._counteraxis)}return o(u._axislayer,u._pos)}var G=T.getSubplots(t,u).map(function(t){var e=c._plots[t];if(c._has(\"cartesian\")){var r=e[m+\"axislayer\"],n=u._linepositions[t]||[],a=e[g](),s=a._id===u.anchor,h=[!1,!1,!1],d=\"\";if(\"allticks\"===u.mirror?h=[!0,!0,!1]:s&&(\"ticks\"===u.mirror?h=[!0,!0,!1]:h[f.indexOf(B)]=!0),u.mirrors)for(v=0;2>v;v++){var y=u.mirrors[a._id+f[v]];\"ticks\"!==y&&\"labels\"!==y||(h[v]=!0)}return void 0!==n[2]&&(h[2]=!0),h.forEach(function(t,e){var r=n[e],i=U[e];t&&b(r)&&(d+=p(r+C*i,i*u.ticklen))}),i(r,d),l(e,a,t),o(r,n[3])}}).filter(function(t){return t&&t.then});return G.length?Promise.all(G):0},T.swap=function(t,e){for(var r=d(t,e),n=0;n<r.length;n++)v(t,r[n].x,r[n].y)}},{\"../../components/color\":483,\"../../components/drawing\":506,\"../../components/titles\":546,\"../../lib\":568,\"../../lib/svg_text_utils\":581,\"../../plotly\":589,\"./axis_ids\":594,\"./layout_attributes\":601,\"./layout_defaults\":602,\"./set_convert\":606,d3:119,\"fast-isnumeric\":123}],593:[function(t,e,r){\"use strict\";function n(t,e){if(\"-\"===t.type){var r=t._id,n=r.charAt(0);-1!==r.indexOf(\"scene\")&&(r=n);var l=s(e,r,n);if(l){if(\"histogram\"===l.type&&n==={v:\"y\",h:\"x\"}[l.orientation||\"v\"])return void(t.type=\"linear\");if(o(l,n)){for(var u,c=i(l),h=[],f=0;f<e.length;f++)u=e[f],p.traceIs(u,\"box\")&&(u[n+\"axis\"]||n)===r&&(void 0!==u[c]?h.push(u[c][0]):void 0!==u.name?h.push(u.name):h.push(\"text\"));t.type=a(h)}else t.type=a(l[n]||[l[n+\"0\"]])}}}function i(t){return{v:\"x\",h:\"y\"}[t.orientation||\"v\"]}function o(t,e){var r=i(t);return p.traceIs(t,\"box\")&&e===r&&void 0===t[r]&&void 0===t[r+\"0\"]}function a(t){return u(t)?\"date\":c(t)?\"category\":l(t)?\"linear\":\"-\"}function s(t,e,r){for(var n=0;n<t.length;n++){var i=t[n];if((i[r+\"axis\"]||r)===e){if(o(i,r))return i;if((i[r]||[]).length||i[r+\"0\"])return i}}}function l(t){if(!t)return!1;for(var e=0;e<t.length;e++)if(h(t[e]))return!0;return!1}function u(t){for(var e,r=0,n=0,i=Math.max(1,(t.length-1)/1e3),o=0;o<t.length;o+=i)e=t[Math.round(o)],d.isDateTime(e)&&(r+=1),h(e)&&(n+=1);return r>2*n}function c(t){for(var e,r=Math.max(1,(t.length-1)/1e3),n=0,i=0,o=0;o<t.length;o+=r)e=M(t[Math.round(o)]),h(e)?n++:\"string\"==typeof e&&\"\"!==e&&\"None\"!==e&&i++;return i>2*n}var h=t(\"fast-isnumeric\"),f=t(\"tinycolor2\").mix,d=t(\"../../lib\"),p=t(\"../plots\"),v=t(\"../../components/color/attributes\").lightFraction,m=t(\"./layout_attributes\"),g=t(\"./tick_value_defaults\"),y=t(\"./tick_mark_defaults\"),b=t(\"./tick_label_defaults\"),x=t(\"./category_order_defaults\"),_=t(\"./set_convert\"),w=t(\"./ordered_categories\"),M=t(\"./clean_datum\"),k=t(\"./axis_ids\");e.exports=function(t,e,r,i){function o(r,n){return d.coerce2(t,e,m,r,n)}var a=i.letter,s=i.font||{},l=\"Click to enter \"+(i.title||a.toUpperCase()+\" axis\")+\" title\";i.name&&(e._name=i.name,e._id=k.name2id(i.name));var u=r(\"type\");\"-\"===u&&(n(e,i.data),\"-\"===e.type?e.type=\"linear\":u=t.type=e.type),_(e);var c=r(\"color\"),p=c===t.color?c:s.color;r(\"title\",l),d.coerceFont(r,\"titlefont\",{family:s.family,size:Math.round(1.2*s.size),color:p});var M=2===(t.range||[]).length&&h(t.range[0])&&h(t.range[1]),A=r(\"autorange\",!M);A&&r(\"rangemode\");var T=r(\"range\",[-1,\"x\"===a?6:4]);T[0]===T[1]&&(e.range=[T[0]-1,T[0]+1]),d.noneOrAll(t.range,e.range,[0,1]),r(\"fixedrange\"),g(t,e,r,u),b(t,e,r,u,i),y(t,e,r,i),x(t,e,r);var E=o(\"linecolor\",c),S=o(\"linewidth\"),L=r(\"showline\",!!E||!!S);L||(delete e.linecolor,delete e.linewidth),(L||e.ticks)&&r(\"mirror\");var z=o(\"gridcolor\",f(c,i.bgColor,v).toRgbString()),I=o(\"gridwidth\"),P=r(\"showgrid\",i.showGrid||!!z||!!I);P||(delete e.gridcolor,delete e.gridwidth);var C=o(\"zerolinecolor\",c),R=o(\"zerolinewidth\"),D=r(\"zeroline\",i.showGrid||!!C||!!R);return D||(delete e.zerolinecolor,delete e.zerolinewidth),e._initialCategories=\"category\"===u?w(a,e.categoryorder,e.categoryarray,i.data):[],e}},{\"../../components/color/attributes\":482,\"../../lib\":568,\"../plots\":648,\"./axis_ids\":594,\"./category_order_defaults\":595,\"./clean_datum\":596,\"./layout_attributes\":601,\"./ordered_categories\":603,\"./set_convert\":606,\"./tick_label_defaults\":607,\"./tick_mark_defaults\":608,\"./tick_value_defaults\":609,\"fast-isnumeric\":123,tinycolor2:454}],594:[function(t,e,r){\"use strict\";function n(t,e,r){function n(t,r){for(var n=Object.keys(t),i=/^[xyz]axis[0-9]*/,o=[],a=0;a<n.length;a++){var s=n[a];e&&s.charAt(0)!==e||i.test(s)&&o.push(r+s)}return o.sort()}var o=t._fullLayout;if(!o)return[];var a=n(o,\"\");if(r)return a;for(var s=i.getSubplotIds(o,\"gl3d\")||[],l=0;l<s.length;l++){var u=s[l];a=a.concat(n(o[u],u+\".\"))}return a}var i=t(\"../plots\"),o=t(\"../../lib\"),a=t(\"./constants\");r.id2name=function(t){if(\"string\"==typeof t&&t.match(a.AX_ID_PATTERN)){var e=t.substr(1);return\"1\"===e&&(e=\"\"),t.charAt(0)+\"axis\"+e}},r.name2id=function(t){if(t.match(a.AX_NAME_PATTERN)){var e=t.substr(5);return\"1\"===e&&(e=\"\"),t.charAt(0)+e}},r.cleanId=function(t,e){if(t.match(a.AX_ID_PATTERN)&&(!e||t.charAt(0)===e)){var r=t.substr(1).replace(/^0+/,\"\");return\"1\"===r&&(r=\"\"),t.charAt(0)+r}},r.list=function(t,e,r){return n(t,e,r).map(function(e){return o.nestedProperty(t._fullLayout,e).get()})},r.listIds=function(t,e){return n(t,e,!0).map(r.name2id)},r.getFromId=function(t,e,n){var i=t._fullLayout;return\"x\"===n?e=e.replace(/y[0-9]*/,\"\"):\"y\"===n&&(e=e.replace(/x[0-9]*/,\"\")),i[r.id2name(e)]},r.getFromTrace=function(t,e,n){var o=t._fullLayout,a=null;if(i.traceIs(e,\"gl3d\")){var s=e.scene;\"scene\"===s.substr(0,5)&&(a=o[s][n+\"axis\"])}else a=r.getFromId(t,e[n+\"axis\"]||n);return a}},{\"../../lib\":568,\"../plots\":648,\"./constants\":597}],595:[function(t,e,r){\"use strict\";e.exports=function(t,e,r){if(\"category\"===e.type){var n,i=t.categoryarray,o=Array.isArray(i)&&i.length>0;o&&(n=\"array\");var a=r(\"categoryorder\",n);\"array\"===a&&r(\"categoryarray\"),o||\"array\"!==a||(e.categoryorder=\"trace\")}}},{}],596:[function(t,e,r){\"use strict\";var n=t(\"fast-isnumeric\"),i=t(\"../../lib\");e.exports=function(t){try{if(\"object\"==typeof t&&null!==t&&t.getTime)return i.ms2DateTime(t);if(\"string\"!=typeof t&&!n(t))return\"\";t=t.toString().replace(/['\"%,$# ]/g,\"\")}catch(e){i.error(e,t)}return t}},{\"../../lib\":568,\"fast-isnumeric\":123}],597:[function(t,e,r){\"use strict\";e.exports={idRegex:{x:/^x([2-9]|[1-9][0-9]+)?$/,y:/^y([2-9]|[1-9][0-9]+)?$/},attrRegex:{x:/^xaxis([2-9]|[1-9][0-9]+)?$/,y:/^yaxis([2-9]|[1-9][0-9]+)?$/},BADNUM:void 0,xAxisMatch:/^xaxis[0-9]*$/,yAxisMatch:/^yaxis[0-9]*$/,AX_ID_PATTERN:/^[xyz][0-9]*$/,AX_NAME_PATTERN:/^[xyz]axis[0-9]*$/,DBLCLICKDELAY:300,MINDRAG:8,MINSELECT:12,MINZOOM:20,DRAGGERSIZE:20,MAXDIST:20,YANGLE:60,HOVERARROWSIZE:6,HOVERTEXTPAD:3,HOVERFONTSIZE:13,HOVERFONT:\"Arial, sans-serif\",HOVERMINTIME:50,BENDPX:1.5,REDRAWDELAY:50}},{}],598:[function(t,e,r){\"use strict\";function n(t,e){var r,n=t.range[e],i=Math.abs(n-t.range[1-e]);return\"date\"===t.type?c.ms2DateTime(n,i):\"log\"===t.type?(r=Math.ceil(Math.max(0,-Math.log(i)/Math.LN10))+3,s.format(\".\"+r+\"g\")(Math.pow(10,n))):(r=Math.floor(Math.log(Math.abs(n))/Math.LN10)-Math.floor(Math.log(i)/Math.LN10)+4,s.format(\".\"+String(r)+\"g\")(n))}function i(t,e){return t?\"nsew\"===t?\"pan\"===e?\"move\":\"crosshair\":t.toLowerCase()+\"-resize\":\"pointer\"}function o(t){s.select(t).selectAll(\".zoombox,.js-zoombox-backdrop,.js-zoombox-menu,.zoombox-corners\").remove()}function a(t){var e=[\"lasso\",\"select\"];return-1!==e.indexOf(t)}var s=t(\"d3\"),l=t(\"tinycolor2\"),u=t(\"../../plotly\"),c=t(\"../../lib\"),h=t(\"../../lib/svg_text_utils\"),f=t(\"../../components/color\"),d=t(\"../../components/drawing\"),p=t(\"../../lib/setcursor\"),v=t(\"../../components/dragelement\"),m=t(\"./axes\"),g=t(\"./select\"),y=t(\"./constants\"),b=!0;e.exports=function(t,e,r,s,x,_,w,M){function k(t,e){for(var r=0;r<t.length;r++)if(!t[r].fixedrange)return e;return\"\"}function A(t){t[0]=Number(t[0]),t[1]=Number(t[1])}function T(e,r,n){var i=rt.getBoundingClientRect();it=r-i.left,ot=n-i.top,at={l:it,r:it,w:0,t:ot,b:ot,h:0},st=t._hmpixcount?t._hmlumcount/t._hmpixcount:l(t._fullLayout.plot_bgcolor).getLuminance(),lt=\"M0,0H\"+V+\"V\"+q+\"H0V0\",ut=!1,ct=\"xy\",ht=dt.append(\"path\").attr(\"class\",\"zoombox\").style({fill:st>.2?\"rgba(0,0,0,0)\":\"rgba(255,255,255,0)\",\"stroke-width\":0}).attr(\"transform\",\"translate(\"+pt+\", \"+vt+\")\").attr(\"d\",lt+\"Z\"),ft=dt.append(\"path\").attr(\"class\",\"zoombox-corners\").style({fill:f.background,stroke:f.defaultLine,\"stroke-width\":1,opacity:0}).attr(\"transform\",\"translate(\"+pt+\", \"+vt+\")\").attr(\"d\",\"M0,0Z\"),E();for(var o=0;o<K.length;o++)A(K[o].range)}function E(){dt.selectAll(\".select-outline\").remove()}function S(t,e){var r=Math.max(0,Math.min(V,t+it)),n=Math.max(0,Math.min(q,e+ot)),i=Math.abs(r-it),o=Math.abs(n-ot),a=Math.floor(Math.min(o,i,H)/2);at.l=Math.min(it,r),at.r=Math.max(it,r),at.t=Math.min(ot,n),at.b=Math.max(ot,n),!$||o<Math.min(Math.max(.6*i,G),H)?G>i?(ct=\"\",at.r=at.l,at.t=at.b,ft.attr(\"d\",\"M0,0Z\")):(at.t=0,at.b=q,ct=\"x\",ft.attr(\"d\",\"M\"+(at.l-.5)+\",\"+(ot-H-.5)+\"h-3v\"+(2*H+1)+\"h3ZM\"+(at.r+.5)+\",\"+(ot-H-.5)+\"h3v\"+(2*H+1)+\"h-3Z\")):!J||i<Math.min(.6*o,H)?(at.l=0,at.r=V,ct=\"y\",ft.attr(\"d\",\"M\"+(it-H-.5)+\",\"+(at.t-.5)+\"v-3h\"+(2*H+1)+\"v3ZM\"+(it-H-.5)+\",\"+(at.b+.5)+\"v3h\"+(2*H+1)+\"v-3Z\")):(ct=\"xy\",ft.attr(\"d\",\"M\"+(at.l-3.5)+\",\"+(at.t-.5+a)+\"h3v\"+-a+\"h\"+a+\"v-3h-\"+(a+3)+\"ZM\"+(at.r+3.5)+\",\"+(at.t-.5+a)+\"h-3v\"+-a+\"h\"+-a+\"v-3h\"+(a+3)+\"ZM\"+(at.r+3.5)+\",\"+(at.b+.5-a)+\"h-3v\"+a+\"h\"+-a+\"v3h\"+(a+3)+\"ZM\"+(at.l-3.5)+\",\"+(at.b+.5-a)+\"h3v\"+a+\"h\"+a+\"v3h-\"+(a+3)+\"Z\")),at.w=at.r-at.l,at.h=at.b-at.t,ht.attr(\"d\",lt+\"M\"+at.l+\",\"+at.t+\"v\"+at.h+\"h\"+at.w+\"v-\"+at.h+\"h-\"+at.w+\"Z\"),ut||(ht.transition().style(\"fill\",st>.2?\"rgba(0,0,0,0.4)\":\"rgba(255,255,255,0.3)\").duration(200),ft.transition().style(\"opacity\",1).duration(200),ut=!0)}function L(t,e,r){var n,i,o;for(n=0;n<t.length;n++)i=t[n],i.fixedrange||(o=i.range,i.range=[o[0]+(o[1]-o[0])*e,o[0]+(o[1]-o[0])*r])}function z(e,r){return Math.min(at.h,at.w)<2*G?(2===r&&D(),o(t)):(\"xy\"!==ct&&\"x\"!==ct||L(B,at.l/V,at.r/V),\"xy\"!==ct&&\"y\"!==ct||L(U,(q-at.b)/q,(q-at.t)/q),o(t),O(ct),void(b&&t.data&&t._context.showTips&&(c.notifier(\"Double-click to<br>zoom back out\",\"long\"),b=!1)))}function I(e,r){var i=1===(w+M).length;if(e)O();else if(2!==r||i){if(1===r&&i){var o=w?U[0]:B[0],a=\"s\"===w||\"w\"===M?0:1,s=o._name+\".range[\"+a+\"]\",l=n(o,a),c=\"left\",f=\"middle\";if(o.fixedrange)return;w?(f=\"n\"===w?\"top\":\"bottom\",\"right\"===o.side&&(c=\"right\")):\"e\"===M&&(c=\"right\"),et.call(h.makeEditable,null,{immediate:!0,background:j.paper_bgcolor,text:String(l),fill:o.tickfont?o.tickfont.color:\"#444\",horizontalAlign:c,verticalAlign:f}).on(\"edit\",function(e){var r=\"category\"===o.type?o.c2l(e):o.d2l(e);void 0!==r&&u.relayout(t,s,r)})}}else D()}function P(e){function r(t,e,r){if(!t.fixedrange){A(t.range);var n=t.range,i=n[0]+(n[1]-n[0])*e;t.range=[i+(n[0]-i)*r,i+(n[1]-i)*r]}}if(t._context.scrollZoom||j._enablescrollzoom){var n=t.querySelector(\".plotly\");if(!(n.scrollHeight-n.clientHeight>10||n.scrollWidth-n.clientWidth>10)){clearTimeout(gt);var i=-e.deltaY;if(isFinite(i)||(i=e.wheelDelta/10),!isFinite(i))return void c.log(\"Did not find wheel motion attributes: \",e);var o,a=Math.exp(-Math.min(Math.max(i,-20),20)/100),s=bt.draglayer.select(\".nsewdrag\").node().getBoundingClientRect(),l=(e.clientX-s.left)/s.width,u=mt[0]+mt[2]*l,h=(s.bottom-e.clientY)/s.height,f=mt[1]+mt[3]*(1-h);if(M){for(o=0;o<B.length;o++)r(B[o],l,a);mt[2]*=a,mt[0]=u-mt[2]*l}if(w){for(o=0;o<U.length;o++)r(U[o],h,a);mt[3]*=a,mt[1]=f-mt[3]*(1-h)}return F(mt),R(w,M),gt=setTimeout(function(){mt=[0,0,V,q],O()},yt),c.pauseEvent(e)}}}function C(t,e){function r(t,e){for(var r=0;r<t.length;r++){var n=t[r];n.fixedrange||(n.range=[n._r[0]-e/n._m,n._r[1]-e/n._m])}}function n(t){return 1-(t>=0?Math.min(t,.9):1/(1/Math.max(t,-.3)+3.222))}function i(t,e,r){for(var i=1-e,o=0,a=0;a<t.length;a++){var s=t[a];s.fixedrange||(o=a,s.range[e]=s._r[i]+(s._r[e]-s._r[i])/n(r/s._length))}return t[o]._length*(t[o]._r[e]-t[o].range[e])/(t[o]._r[e]-t[o]._r[i])}return\"ew\"===J||\"ns\"===$?(J&&r(B,t),$&&r(U,e),F([J?-t:0,$?-e:0,V,q]),void R($,J)):(\"w\"===J?t=i(B,0,t):\"e\"===J?t=i(B,1,-t):J||(t=0),\"n\"===$?e=i(U,1,e):\"s\"===$?e=i(U,0,-e):$||(e=0),F([\"w\"===J?t:0,\"n\"===$?e:0,V-t,q-e]),void R($,J))}function R(e,r){function n(t){for(o=0;o<t.length;o++)t[o].fixedrange||a.push(t[o]._id)}function i(n,i){var s;for(o=0;o<n.length;o++)s=n[o],(r&&-1!==a.indexOf(s.xref)||e&&-1!==a.indexOf(s.yref))&&i.draw(t,o)}var o,a=[];for(r&&n(B),e&&n(U),o=0;o<a.length;o++)m.doTicks(t,a[o],!0);i(j.annotations||[],u.Annotations),i(j.shapes||[],u.Shapes),i(j.images||[],u.Images)}function D(){var e,r,n,i=t._context.doubleClick,o=(J?B:[]).concat($?U:[]),a={};if(\"autosize\"===i)for(r=0;r<o.length;r++)e=o[r],e.fixedrange||(a[e._name+\".autorange\"]=!0);else if(\"reset\"===i)for(r=0;r<o.length;r++)e=o[r],e._rangeInitial?(n=e._rangeInitial.slice(),a[e._name+\".range[0]\"]=n[0],a[e._name+\".range[1]\"]=n[1]):a[e._name+\".autorange\"]=!0;else if(\"reset+autosize\"===i)for(r=0;r<o.length;r++)e=o[r],e.fixedrange||(void 0===e._rangeInitial||e.range[0]===e._rangeInitial[0]&&e.range[1]===e._rangeInitial[1]?a[e._name+\".autorange\"]=!0:(n=e._rangeInitial.slice(),a[e._name+\".range[0]\"]=n[0],a[e._name+\".range[1]\"]=n[1]));t.emit(\"plotly_doubleclick\",null),u.relayout(t,a)}function O(e){for(var r={},n=0;n<K.length;n++){var i=K[n];e&&-1===e.indexOf(i._id.charAt(0))||(i._r[0]!==i.range[0]&&(r[i._name+\".range[0]\"]=i.range[0]),i._r[1]!==i.range[1]&&(r[i._name+\".range[1]\"]=i.range[1]),i.range=i._r.slice())}F([0,0,V,q]),u.relayout(t,r)}function F(t){for(var e=j._plots,r=Object.keys(e),n=0;n<r.length;n++){var i=e[r[n]],o=i.x(),a=i.y(),s=M&&-1!==B.indexOf(o)&&!o.fixedrange,l=w&&-1!==U.indexOf(a)&&!a.fixedrange,u=s?o._length/t[2]:1,h=l?a._length/t[3]:1,f=s?t[0]:0,d=l?t[1]:0,p=s?t[0]/t[2]*o._length:0,v=l?t[1]/t[3]*a._length:0,m=o._offset-p,g=a._offset-v;j._defs.selectAll(\"#\"+i.clipId).call(c.setTranslate,f,d).call(c.setScale,1/u,1/h),i.plot.call(c.setTranslate,m,g).call(c.setScale,u,h).selectAll(\".points\").selectAll(\".point\").call(c.setPointGroupScale,1/u,1/h)}}for(var j=t._fullLayout,N=[e].concat(w&&M?e.overlays:[]),B=[e.x()],U=[e.y()],V=B[0]._length,q=U[0]._length,G=y.MINDRAG,H=y.MINZOOM,X=w+M===\"nsew\",Y=1;Y<N.length;Y++){var W=N[Y].x(),Z=N[Y].y();-1===B.indexOf(W)&&B.push(W),-1===U.indexOf(Z)&&U.push(Z)}var K=B.concat(U),J=k(B,M),$=k(U,w),Q=i($+J,j.dragmode),tt=w+M+\"drag\",et=e.draglayer.selectAll(\".\"+tt).data([0]);et.enter().append(\"rect\").classed(\"drag\",!0).classed(tt,!0).style({fill:\"transparent\",\"stroke-width\":0}).attr(\"data-subplot\",e.id),et.call(d.setRect,r,s,x,_).call(p,Q);var rt=et.node();if(!$&&!J&&!a(j.dragmode))return rt.onmousedown=null,rt.style.pointerEvents=X?\"all\":\"none\",rt;var nt={element:rt,gd:t,plotinfo:e,xaxes:B,yaxes:U,doubleclick:D,prepFn:function(e,r,n){var i=t._fullLayout.dragmode;X?e.shiftKey&&(i=\"pan\"===i?\"zoom\":\"pan\"):i=\"pan\",\"lasso\"===i?nt.minDrag=1:nt.minDrag=void 0,\"zoom\"===i?(nt.moveFn=S,nt.doneFn=z,T(e,r,n)):\"pan\"===i?(nt.moveFn=C,nt.doneFn=I,E()):a(i)&&g(e,r,n,nt,i)}};v.init(nt);var it,ot,at,st,lt,ut,ct,ht,ft,dt=t._fullLayout._zoomlayer,pt=e.x()._offset,vt=e.y()._offset,mt=[0,0,V,q],gt=null,yt=y.REDRAWDELAY,bt=e.mainplot?j._plots[e.mainplot]:e;return w.length*M.length!==1&&(void 0!==rt.onwheel?rt.onwheel=P:void 0!==rt.onmousewheel&&(rt.onmousewheel=P)),rt}},{\"../../components/color\":483,\"../../components/dragelement\":504,\"../../components/drawing\":506,\"../../lib\":568,\"../../lib/setcursor\":577,\"../../lib/svg_text_utils\":581,\"../../plotly\":589,\"./axes\":592,\"./constants\":597,\"./select\":605,d3:119,tinycolor2:454}],599:[function(t,e,r){\"use strict\";function n(t,e){for(var r=[],n=t.length;n>0;n--)r.push(e);return r}function i(t,e){for(var r=[],n=0;n<t.length;n++)r.push(t[n].p2c(e));return r}function o(t,e){return function(r){var n=t(r),i=e(r);return Math.sqrt(n*n+i*i)}}function a(t,e,r){if(\"pie\"===r)return void t.emit(\"plotly_hover\",{points:[e]});r||(r=\"xy\");var o=Array.isArray(r)?r:[r],a=t._fullLayout,d=a._plots||[],p=d[r];if(p){var y=p.overlays.map(function(t){return t.id});o=o.concat(y)}for(var x=o.length,k=new Array(x),A=new Array(x),T=0;x>T;T++){var E=o[T],S=d[E];if(S)k[T]=w.getFromId(t,S.xaxis._id),A[T]=w.getFromId(t,S.yaxis._id);else{var L=a[E]._subplot;k[T]=L.xaxis,A[T]=L.yaxis}}var z=e.hovermode||a.hovermode;if(-1===[\"x\",\"y\",\"closest\"].indexOf(z)||!t.calcdata||t.querySelector(\".zoombox\")||t._dragging)return _.unhoverRaw(t,e);var I,P,C,R,D,O,F,j,N,B,U,V,q=[],G=[];if(Array.isArray(e))for(z=\"array\",C=0;C<e.length;C++)D=t.calcdata[e[C].curveNumber||0],G.push(D);else{for(R=0;R<t.calcdata.length;R++)D=t.calcdata[R],O=D[0].trace,-1!==o.indexOf(s(O))&&G.push(D);var H,X;if(e.target&&\"clientX\"in e&&\"clientY\"in e){if(g.triggerHandler(t,\"plotly_beforehover\",e)===!1)return;var Y=e.target.getBoundingClientRect();if(H=e.clientX-Y.left,X=e.clientY-Y.top,0>H||H>Y.width||0>X||X>Y.height)return _.unhoverRaw(t,e)}else H=\"xpx\"in e?e.xpx:k[0]._length/2,X=\"ypx\"in e?e.ypx:A[0]._length/2;if(I=\"xval\"in e?n(o,e.xval):i(k,H),P=\"yval\"in e?n(o,e.yval):i(A,X),!v(I[0])||!v(P[0]))return m.warn(\"Plotly.Fx.hover failed\",e,t),_.unhoverRaw(t,e)}var W=1/0;for(R=0;R<G.length;R++)if(D=G[R],D&&D[0]&&D[0].trace&&D[0].trace.visible===!0){if(O=D[0].trace,F=o.indexOf(s(O)),j=z,U={cd:D,trace:O,xa:k[F],ya:A[F],name:t.data.length>1||-1!==O.hoverinfo.indexOf(\"name\")?O.name:void 0,index:!1,distance:Math.min(W,M.MAXDIST),color:b.defaultLine,x0:void 0,x1:void 0,y0:void 0,y1:void 0,xLabelVal:void 0,yLabelVal:void 0,zLabelVal:void 0,text:void 0},V=q.length,\"array\"===j){var Z=e[R];\"pointNumber\"in Z?(U.index=Z.pointNumber,j=\"closest\"):(j=\"\",\"xval\"in Z&&(N=Z.xval,j=\"x\"),\"yval\"in Z&&(B=Z.yval,j=j?\"closest\":\"y\"))}else N=I[F],B=P[F];if(O._module&&O._module.hoverPoints){var K=O._module.hoverPoints(U,N,B,j);if(K)for(var J,$=0;$<K.length;$++)J=K[$],v(J.x0)&&v(J.y0)&&q.push(l(J,z))}else m.log(\"Unrecognized trace type in hover:\",O);\"closest\"===z&&q.length>V&&(q.splice(0,V),W=q[0].distance)}if(0===q.length)return _.unhoverRaw(t,e);var Q=\"y\"===z&&G.length>1;q.sort(function(t,e){return t.distance-e.distance});var tt=b.combine(a.plot_bgcolor||b.background,a.paper_bgcolor),et={\nhovermode:z,rotateLabels:Q,bgColor:tt,container:a._hoverlayer,outerContainer:a._paperdiv},rt=u(q,et);c(q,Q?\"xa\":\"ya\"),h(rt,Q);var nt=t._hoverdata,it=[];for(C=0;C<q.length;C++){var ot=q[C],at={data:ot.trace._input,fullData:ot.trace,curveNumber:ot.trace.index,pointNumber:ot.index,x:ot.xVal,y:ot.yVal,xaxis:ot.xa,yaxis:ot.ya};void 0!==ot.zLabelVal&&(at.z=ot.zLabelVal),it.push(at)}t._hoverdata=it,f(t,e,nt)&&(nt&&t.emit(\"plotly_unhover\",{points:nt}),t.emit(\"plotly_hover\",{points:t._hoverdata,xaxes:k,yaxes:A,xvals:I,yvals:P}))}function s(t){return t.subplot||t.xaxis+t.yaxis}function l(t,e){t.posref=\"y\"===e?(t.x0+t.x1)/2:(t.y0+t.y1)/2,t.x0=m.constrain(t.x0,0,t.xa._length),t.x1=m.constrain(t.x1,0,t.xa._length),t.y0=m.constrain(t.y0,0,t.ya._length),t.y1=m.constrain(t.y1,0,t.ya._length);var r;if(void 0!==t.xLabelVal){r=\"log\"===t.xa.type&&t.xLabelVal<=0;var n=w.tickText(t.xa,t.xa.c2l(r?-t.xLabelVal:t.xLabelVal),\"hover\");r?0===t.xLabelVal?t.xLabel=\"0\":t.xLabel=\"-\"+n.text:t.xLabel=n.text,t.xVal=t.xa.c2d(t.xLabelVal)}if(void 0!==t.yLabelVal){r=\"log\"===t.ya.type&&t.yLabelVal<=0;var i=w.tickText(t.ya,t.ya.c2l(r?-t.yLabelVal:t.yLabelVal),\"hover\");r?0===t.yLabelVal?t.yLabel=\"0\":t.yLabel=\"-\"+i.text:t.yLabel=i.text,t.yVal=t.ya.c2d(t.yLabelVal)}if(void 0!==t.zLabelVal&&(t.zLabel=String(t.zLabelVal)),!(isNaN(t.xerr)||\"log\"===t.xa.type&&t.xerr<=0)){var o=w.tickText(t.xa,t.xa.c2l(t.xerr),\"hover\").text;void 0!==t.xerrneg?t.xLabel+=\" +\"+o+\" / -\"+w.tickText(t.xa,t.xa.c2l(t.xerrneg),\"hover\").text:t.xLabel+=\" \\xb1 \"+o,\"x\"===e&&(t.distance+=1)}if(!(isNaN(t.yerr)||\"log\"===t.ya.type&&t.yerr<=0)){var a=w.tickText(t.ya,t.ya.c2l(t.yerr),\"hover\").text;void 0!==t.yerrneg?t.yLabel+=\" +\"+a+\" / -\"+w.tickText(t.ya,t.ya.c2l(t.yerrneg),\"hover\").text:t.yLabel+=\" \\xb1 \"+a,\"y\"===e&&(t.distance+=1)}var s=t.trace.hoverinfo;return\"all\"!==s&&(s=s.split(\"+\"),-1===s.indexOf(\"x\")&&(t.xLabel=void 0),-1===s.indexOf(\"y\")&&(t.yLabel=void 0),-1===s.indexOf(\"z\")&&(t.zLabel=void 0),-1===s.indexOf(\"text\")&&(t.text=void 0),-1===s.indexOf(\"name\")&&(t.name=void 0)),t}function u(t,e){var r,n,i=e.hovermode,o=e.rotateLabels,a=e.bgColor,s=e.container,l=e.outerContainer,u=t[0],c=u.xa,h=u.ya,f=\"y\"===i?\"yLabel\":\"xLabel\",v=u[f],m=(String(v)||\"\").split(\" \")[0],g=l.node().getBoundingClientRect(),_=g.top,w=g.width,k=g.height,A=u.distance<=M.MAXDIST&&(\"x\"===i||\"y\"===i);for(r=0;r<t.length;r++){n=t[r].trace.hoverinfo;var E=n.split(\"+\");if(-1===E.indexOf(\"all\")&&-1===E.indexOf(i)){A=!1;break}}var S=s.selectAll(\"g.axistext\").data(A?[0]:[]);S.enter().append(\"g\").classed(\"axistext\",!0),S.exit().remove(),S.each(function(){var e=d.select(this),r=e.selectAll(\"path\").data([0]),n=e.selectAll(\"text\").data([0]);r.enter().append(\"path\").style({fill:b.defaultLine,\"stroke-width\":\"1px\",stroke:b.background}),n.enter().append(\"text\").call(x.font,R,C,b.background).attr(\"data-notex\",1),n.text(v).call(y.convertToTspans).call(x.setPosition,0,0).selectAll(\"tspan.line\").call(x.setPosition,0,0),e.attr(\"transform\",\"\");var o=n.node().getBoundingClientRect();if(\"x\"===i){n.attr(\"text-anchor\",\"middle\").call(x.setPosition,0,\"top\"===c.side?_-o.bottom-I-P:_-o.top+I+P).selectAll(\"tspan.line\").attr({x:n.attr(\"x\"),y:n.attr(\"y\")});var a=\"top\"===c.side?\"-\":\"\";r.attr(\"d\",\"M0,0L\"+I+\",\"+a+I+\"H\"+(P+o.width/2)+\"v\"+a+(2*P+o.height)+\"H-\"+(P+o.width/2)+\"V\"+a+I+\"H-\"+I+\"Z\"),e.attr(\"transform\",\"translate(\"+(c._offset+(u.x0+u.x1)/2)+\",\"+(h._offset+(\"top\"===c.side?0:h._length))+\")\")}else{n.attr(\"text-anchor\",\"right\"===h.side?\"start\":\"end\").call(x.setPosition,(\"right\"===h.side?1:-1)*(P+I),_-o.top-o.height/2).selectAll(\"tspan.line\").attr({x:n.attr(\"x\"),y:n.attr(\"y\")});var s=\"right\"===h.side?\"\":\"-\";r.attr(\"d\",\"M0,0L\"+s+I+\",\"+I+\"V\"+(P+o.height/2)+\"h\"+s+(2*P+o.width)+\"V-\"+(P+o.height/2)+\"H\"+s+I+\"V-\"+I+\"Z\"),e.attr(\"transform\",\"translate(\"+(c._offset+(\"right\"===h.side?c._length:0))+\",\"+(h._offset+(u.y0+u.y1)/2)+\")\")}t=t.filter(function(t){return void 0!==t.zLabelVal||(t[f]||\"\").split(\" \")[0]===m})});var L=s.selectAll(\"g.hovertext\").data(t,function(t){return[t.trace.index,t.index,t.x0,t.y0,t.name,t.attr,t.xa,t.ya||\"\"].join(\",\")});return L.enter().append(\"g\").classed(\"hovertext\",!0).each(function(){var t=d.select(this);t.append(\"rect\").call(b.fill,b.addOpacity(a,.8)),t.append(\"text\").classed(\"name\",!0).call(x.font,R,C),t.append(\"path\").style(\"stroke-width\",\"1px\"),t.append(\"text\").classed(\"nums\",!0).call(x.font,R,C)}),L.exit().remove(),L.each(function(t){var e=d.select(this).attr(\"transform\",\"\"),r=\"\",n=\"\",s=b.opacity(t.color)?t.color:b.defaultLine,l=b.combine(s,a),u=p(l).getBrightness()>128?\"#000\":b.background;if(t.name&&void 0===t.zLabelVal){var c=document.createElement(\"p\");c.innerHTML=t.name,r=c.textContent||\"\",r.length>15&&(r=r.substr(0,12)+\"...\")}void 0!==t.extraText&&(n+=t.extraText),void 0!==t.zLabel?(void 0!==t.xLabel&&(n+=\"x: \"+t.xLabel+\"<br>\"),void 0!==t.yLabel&&(n+=\"y: \"+t.yLabel+\"<br>\"),n+=(n?\"z: \":\"\")+t.zLabel):A&&t[i+\"Label\"]===v?n=t[(\"x\"===i?\"y\":\"x\")+\"Label\"]||\"\":void 0===t.xLabel?void 0!==t.yLabel&&(n=t.yLabel):n=void 0===t.yLabel?t.xLabel:\"(\"+t.xLabel+\", \"+t.yLabel+\")\",t.text&&!Array.isArray(t.text)&&(n+=(n?\"<br>\":\"\")+t.text),\"\"===n&&(\"\"===r&&e.remove(),n=r);var h=e.select(\"text.nums\").style(\"fill\",u).call(x.setPosition,0,0).text(n).attr(\"data-notex\",1).call(y.convertToTspans);h.selectAll(\"tspan.line\").call(x.setPosition,0,0);var f=e.select(\"text.name\"),m=0;r&&r!==n?(f.style(\"fill\",l).text(r).call(x.setPosition,0,0).attr(\"data-notex\",1).call(y.convertToTspans),f.selectAll(\"tspan.line\").call(x.setPosition,0,0),m=f.node().getBoundingClientRect().width+2*P):(f.remove(),e.select(\"rect\").remove()),e.select(\"path\").style({fill:l,stroke:u});var g,M,E=h.node().getBoundingClientRect(),S=t.xa._offset+(t.x0+t.x1)/2,L=t.ya._offset+(t.y0+t.y1)/2,z=Math.abs(t.x1-t.x0),C=Math.abs(t.y1-t.y0),R=E.width+I+P+m;t.ty0=_-E.top,t.bx=E.width+2*P,t.by=E.height+2*P,t.anchor=\"start\",t.txwidth=E.width,t.tx2width=m,t.offset=0,o?(t.pos=S,g=k>=L+C/2+R,M=L-C/2-R>=0,\"top\"!==t.idealAlign&&g||!M?g?(L+=C/2,t.anchor=\"start\"):t.anchor=\"middle\":(L-=C/2,t.anchor=\"end\")):(t.pos=L,g=w>=S+z/2+R,M=S-z/2-R>=0,\"left\"!==t.idealAlign&&g||!M?g?(S+=z/2,t.anchor=\"start\"):t.anchor=\"middle\":(S-=z/2,t.anchor=\"end\")),h.attr(\"text-anchor\",t.anchor),m&&f.attr(\"text-anchor\",t.anchor),e.attr(\"transform\",\"translate(\"+S+\",\"+L+\")\"+(o?\"rotate(\"+T+\")\":\"\"))}),L}function c(t,e){function r(t){var e=t[0],r=t[t.length-1];if(i=e.pmin-e.pos-e.dp+e.size,o=r.pos+r.dp+r.size-e.pmax,i>.01){for(s=t.length-1;s>=0;s--)t[s].dp+=i;n=!1}if(!(.01>o)){if(-.01>i){for(s=t.length-1;s>=0;s--)t[s].dp-=o;n=!1}if(n){var u=0;for(a=0;a<t.length;a++)l=t[a],l.pos+l.dp+l.size>e.pmax&&u++;for(a=t.length-1;a>=0&&!(0>=u);a--)l=t[a],l.pos>e.pmax-1&&(l.del=!0,u--);for(a=0;a<t.length&&!(0>=u);a++)if(l=t[a],l.pos<e.pmin+1)for(l.del=!0,u--,o=2*l.size,s=t.length-1;s>=0;s--)t[s].dp-=o;for(a=t.length-1;a>=0&&!(0>=u);a--)l=t[a],l.pos+l.dp+l.size>e.pmax&&(l.del=!0,u--)}}}for(var n,i,o,a,s,l,u,c=0,h=t.map(function(t,r){var n=t[e];return[{i:r,dp:0,pos:t.pos,posref:t.posref,size:t.by*(\"x\"===n._id.charAt(0)?S:1)/2,pmin:n._offset,pmax:n._offset+n._length}]}).sort(function(t,e){return t[0].posref-e[0].posref});!n&&c<=t.length;){for(c++,n=!0,a=0;a<h.length-1;){var f=h[a],d=h[a+1],p=f[f.length-1],v=d[0];if(i=p.pos+p.dp+p.size-v.pos-v.dp+v.size,i>.01&&p.pmin===v.pmin&&p.pmax===v.pmax){for(s=d.length-1;s>=0;s--)d[s].dp+=i;for(f.push.apply(f,d),h.splice(a+1,1),u=0,s=f.length-1;s>=0;s--)u+=f[s].dp;for(o=u/f.length,s=f.length-1;s>=0;s--)f[s].dp-=o;n=!1}else a++}h.forEach(r)}for(a=h.length-1;a>=0;a--){var m=h[a];for(s=m.length-1;s>=0;s--){var g=m[s],y=t[g.i];y.offset=g.dp,y.del=g.del}}}function h(t,e){t.each(function(t){var r=d.select(this);if(t.del)return void r.remove();var n=\"end\"===t.anchor?-1:1,i=r.select(\"text.nums\"),o={start:1,end:-1,middle:0}[t.anchor],a=o*(I+P),s=a+o*(t.txwidth+P),l=0,u=t.offset;\"middle\"===t.anchor&&(a-=t.tx2width/2,s-=t.tx2width/2),e&&(u*=-z,l=t.offset*L),r.select(\"path\").attr(\"d\",\"middle\"===t.anchor?\"M-\"+t.bx/2+\",-\"+t.by/2+\"h\"+t.bx+\"v\"+t.by+\"h-\"+t.bx+\"Z\":\"M0,0L\"+(n*I+l)+\",\"+(I+u)+\"v\"+(t.by/2-I)+\"h\"+n*t.bx+\"v-\"+t.by+\"H\"+(n*I+l)+\"V\"+(u-I)+\"Z\"),i.call(x.setPosition,a+l,u+t.ty0-t.by/2+P).selectAll(\"tspan.line\").attr({x:i.attr(\"x\"),y:i.attr(\"y\")}),t.tx2width&&(r.select(\"text.name, text.name tspan.line\").call(x.setPosition,s+o*P+l,u+t.ty0-t.by/2+P),r.select(\"rect\").call(x.setRect,s+(o-1)*t.tx2width/2+l,u-t.by/2-1,t.tx2width,t.by+2))})}function f(t,e,r){if(!e.target)return!1;if(!r||r.length!==t._hoverdata.length)return!0;for(var n=r.length-1;n>=0;n--){var i=r[n],o=t._hoverdata[n];if(i.curveNumber!==o.curveNumber||String(i.pointNumber)!==String(o.pointNumber))return!0}return!1}var d=t(\"d3\"),p=t(\"tinycolor2\"),v=t(\"fast-isnumeric\"),m=t(\"../../lib\"),g=t(\"../../lib/events\"),y=t(\"../../lib/svg_text_utils\"),b=t(\"../../components/color\"),x=t(\"../../components/drawing\"),_=t(\"../../components/dragelement\"),w=t(\"./axes\"),M=t(\"./constants\"),k=t(\"./dragbox\"),A=e.exports={};A.unhover=_.unhover,A.layoutAttributes={dragmode:{valType:\"enumerated\",values:[\"zoom\",\"pan\",\"select\",\"lasso\",\"orbit\",\"turntable\"],dflt:\"zoom\"},hovermode:{valType:\"enumerated\",values:[\"x\",\"y\",\"closest\",!1]}},A.supplyLayoutDefaults=function(t,e,r){function n(r,n){return m.coerce(t,e,A.layoutAttributes,r,n)}n(\"dragmode\");var i;if(e._has(\"cartesian\")){var o=e._isHoriz=A.isHoriz(r);i=o?\"y\":\"x\"}else i=\"closest\";n(\"hovermode\",i)},A.isHoriz=function(t){for(var e=!0,r=0;r<t.length;r++){var n=t[r];if(\"h\"!==n.orientation){e=!1;break}}return e},A.init=function(t){var e=t._fullLayout;if(e._has(\"cartesian\")&&!t._context.staticPlot){var r=Object.keys(e._plots||{}).sort(function(t,r){if((e._plots[t].mainplot&&!0)===(e._plots[r].mainplot&&!0)){var n=t.split(\"y\"),i=r.split(\"y\");return n[0]===i[0]?Number(n[1]||1)-Number(i[1]||1):Number(n[0]||1)-Number(i[0]||1)}return e._plots[t].mainplot?1:-1});r.forEach(function(r){var n=e._plots[r];if(e._has(\"cartesian\")){var i=n.x(),o=n.y(),a=(i._linepositions[r]||[])[3],s=(o._linepositions[r]||[])[3],l=M.DRAGGERSIZE;if(v(a)&&\"top\"===i.side&&(a-=l),v(s)&&\"right\"!==o.side&&(s-=l),!n.mainplot){var u=k(t,n,0,0,i._length,o._length,\"ns\",\"ew\");u.onmousemove=function(n){A.hover(t,n,r),e._lasthover=u,e._hoversubplot=r},u.onmouseout=function(e){t._dragging||_.unhover(t,e)},u.onclick=function(e){A.click(t,e)},k(t,n,-l,-l,l,l,\"n\",\"w\"),k(t,n,i._length,-l,l,l,\"n\",\"e\"),k(t,n,-l,o._length,l,l,\"s\",\"w\"),k(t,n,i._length,o._length,l,l,\"s\",\"e\")}v(a)&&(\"free\"===i.anchor&&(a-=e._size.h*(1-o.domain[1])),k(t,n,.1*i._length,a,.8*i._length,l,\"\",\"ew\"),k(t,n,0,a,.1*i._length,l,\"\",\"w\"),k(t,n,.9*i._length,a,.1*i._length,l,\"\",\"e\")),v(s)&&(\"free\"===o.anchor&&(s-=e._size.w*i.domain[0]),k(t,n,s,.1*o._length,l,.8*o._length,\"ns\",\"\"),k(t,n,s,.9*o._length,l,.1*o._length,\"s\",\"\"),k(t,n,s,0,l,.1*o._length,\"n\",\"\"))}});var n=e._hoverlayer.node();n.onmousemove=function(r){r.target=e._lasthover,A.hover(t,r,e._hoversubplot)},n.onclick=function(r){r.target=e._lasthover,A.click(t,r)},n.onmousedown=function(t){e._lasthover.onmousedown(t)}}};var T=M.YANGLE,E=Math.PI*T/180,S=1/Math.sin(E),L=Math.cos(E),z=Math.sin(E),I=M.HOVERARROWSIZE,P=M.HOVERTEXTPAD,C=M.HOVERFONTSIZE,R=M.HOVERFONT;A.hover=function(t,e,r){return\"string\"==typeof t&&(t=document.getElementById(t)),void 0===t._lastHoverTime&&(t._lastHoverTime=0),void 0!==t._hoverTimer&&(clearTimeout(t._hoverTimer),t._hoverTimer=void 0),Date.now()>t._lastHoverTime+M.HOVERMINTIME?(a(t,e,r),void(t._lastHoverTime=Date.now())):void(t._hoverTimer=setTimeout(function(){a(t,e,r),t._lastHoverTime=Date.now(),t._hoverTimer=void 0},M.HOVERMINTIME))},A.getDistanceFunction=function(t,e,r,n){return\"closest\"===t?n||o(e,r):\"x\"===t?e:r},A.getClosest=function(t,e,r){if(r.index!==!1)r.index>=0&&r.index<t.length?r.distance=0:r.index=!1;else for(var n=0;n<t.length;n++){var i=e(t[n]);i<=r.distance&&(r.index=n,r.distance=i)}return r},A.loneHover=function(t,e){var r={color:t.color||b.defaultLine,x0:t.x0||t.x||0,x1:t.x1||t.x||0,y0:t.y0||t.y||0,y1:t.y1||t.y||0,xLabel:t.xLabel,yLabel:t.yLabel,zLabel:t.zLabel,text:t.text,name:t.name,idealAlign:t.idealAlign,trace:{index:0,hoverinfo:\"\"},xa:{_offset:0},ya:{_offset:0},index:0},n=d.select(e.container),i=e.outerContainer?d.select(e.outerContainer):n,o={hovermode:\"closest\",rotateLabels:!1,bgColor:e.bgColor||b.background,container:n,outerContainer:i},a=u([r],o);return h(a,o.rotateLabels),a.node()},A.loneUnhover=function(t){var e=t instanceof d.selection?t:d.select(t);e.selectAll(\"g.hovertext\").remove()},A.click=function(t,e){t._hoverdata&&e&&e.target&&(t.emit(\"plotly_click\",{points:t._hoverdata}),e.stopImmediatePropagation&&e.stopImmediatePropagation())},A.inbox=function(t,e){return 0>t*e||0===t?M.MAXDIST*(.6-.3/Math.max(3,Math.abs(t-e))):1/0}},{\"../../components/color\":483,\"../../components/dragelement\":504,\"../../components/drawing\":506,\"../../lib\":568,\"../../lib/events\":562,\"../../lib/svg_text_utils\":581,\"./axes\":592,\"./constants\":597,\"./dragbox\":598,d3:119,\"fast-isnumeric\":123,tinycolor2:454}],600:[function(t,e,r){\"use strict\";var n=t(\"../plots\"),i=t(\"./constants\");r.name=\"cartesian\",r.attr=[\"xaxis\",\"yaxis\"],r.idRoot=[\"x\",\"y\"],r.idRegex=i.idRegex,r.attrRegex=i.attrRegex,r.attributes=t(\"./attributes\"),r.plot=function(t){function e(t,e){for(var r=[],n=0;n<t.length;n++){var i=t[n],o=i[0].trace;o.xaxis+o.yaxis===e&&r.push(i)}return r}function r(t,e){for(var r=[],n=0;n<t.length;n++){var i=t[n],o=i[0].trace;o._module===e&&o.visible===!0&&r.push(i)}return r}for(var i=t._fullLayout,o=n.getSubplotIds(i,\"cartesian\"),a=t.calcdata,s=i._modules,l=0;l<o.length;l++){var u=o[l],c=i._plots[u],h=e(a,u);c.plot&&c.plot.selectAll(\"g.trace\").remove();for(var f=0;f<s.length;f++){var d=s[f];if(\"cartesian\"===d.basePlotModule.name){var p=r(h,d);d.plot(t,c,p)}}}}},{\"../plots\":648,\"./attributes\":591,\"./constants\":597}],601:[function(t,e,r){\"use strict\";var n=t(\"../font_attributes\"),i=t(\"../../components/color/attributes\"),o=t(\"../../lib/extend\").extendFlat,a=t(\"../../components/rangeslider/attributes\"),s=t(\"../../components/rangeselector/attributes\"),l=t(\"./constants\");e.exports={color:{valType:\"color\",dflt:i.defaultLine},title:{valType:\"string\"},titlefont:o({},n,{}),type:{valType:\"enumerated\",values:[\"-\",\"linear\",\"log\",\"date\",\"category\"],dflt:\"-\"},autorange:{valType:\"enumerated\",values:[!0,!1,\"reversed\"],dflt:!0},rangemode:{valType:\"enumerated\",values:[\"normal\",\"tozero\",\"nonnegative\"],dflt:\"normal\"},range:{valType:\"info_array\",items:[{valType:\"number\"},{valType:\"number\"}]},rangeslider:a,rangeselector:s,fixedrange:{valType:\"boolean\",dflt:!1},tickmode:{valType:\"enumerated\",values:[\"auto\",\"linear\",\"array\"]},nticks:{valType:\"integer\",min:0,dflt:0},tick0:{valType:\"number\",dflt:0},dtick:{valType:\"any\",dflt:1},tickvals:{valType:\"data_array\"},ticktext:{valType:\"data_array\"},ticks:{valType:\"enumerated\",values:[\"outside\",\"inside\",\"\"]},mirror:{valType:\"enumerated\",values:[!0,\"ticks\",!1,\"all\",\"allticks\"],dflt:!1},ticklen:{valType:\"number\",min:0,dflt:5},tickwidth:{valType:\"number\",min:0,dflt:1},tickcolor:{valType:\"color\",dflt:i.defaultLine},showticklabels:{valType:\"boolean\",dflt:!0},tickfont:o({},n,{}),tickangle:{valType:\"angle\",dflt:\"auto\"},tickprefix:{valType:\"string\",dflt:\"\"},showtickprefix:{valType:\"enumerated\",values:[\"all\",\"first\",\"last\",\"none\"],dflt:\"all\"},ticksuffix:{valType:\"string\",dflt:\"\"},showticksuffix:{valType:\"enumerated\",values:[\"all\",\"first\",\"last\",\"none\"],dflt:\"all\"},showexponent:{valType:\"enumerated\",values:[\"all\",\"first\",\"last\",\"none\"],dflt:\"all\"},exponentformat:{valType:\"enumerated\",values:[\"none\",\"e\",\"E\",\"power\",\"SI\",\"B\"],dflt:\"B\"},tickformat:{valType:\"string\",dflt:\"\"},hoverformat:{valType:\"string\",dflt:\"\"},showline:{valType:\"boolean\",dflt:!1},linecolor:{valType:\"color\",dflt:i.defaultLine},linewidth:{valType:\"number\",min:0,dflt:1},showgrid:{valType:\"boolean\"},gridcolor:{valType:\"color\",dflt:i.lightLine},gridwidth:{valType:\"number\",min:0,dflt:1},zeroline:{valType:\"boolean\"},zerolinecolor:{valType:\"color\",dflt:i.defaultLine},zerolinewidth:{valType:\"number\",dflt:1},anchor:{valType:\"enumerated\",values:[\"free\",l.idRegex.x.toString(),l.idRegex.y.toString()]},side:{valType:\"enumerated\",values:[\"top\",\"bottom\",\"left\",\"right\"]},overlaying:{valType:\"enumerated\",values:[\"free\",l.idRegex.x.toString(),l.idRegex.y.toString()]},domain:{valType:\"info_array\",items:[{valType:\"number\",min:0,max:1},{valType:\"number\",min:0,max:1}],dflt:[0,1]},position:{valType:\"number\",min:0,max:1,dflt:0},categoryorder:{valType:\"enumerated\",values:[\"trace\",\"category ascending\",\"category descending\",\"array\"],dflt:\"trace\"},categoryarray:{valType:\"data_array\"},_deprecated:{autotick:{valType:\"boolean\"}}}},{\"../../components/color/attributes\":482,\"../../components/rangeselector/attributes\":531,\"../../components/rangeslider/attributes\":538,\"../../lib/extend\":563,\"../font_attributes\":610,\"./constants\":597}],602:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"../plots\"),o=t(\"../../components/color\"),a=t(\"../../components/rangeslider\"),s=t(\"../../components/rangeselector\"),l=t(\"./constants\"),u=t(\"./layout_attributes\"),c=t(\"./axis_defaults\"),h=t(\"./position_defaults\"),f=t(\"./axis_ids\");e.exports=function(t,e,r){function d(t,e){var r=Number(t.substr(5)||1),n=Number(e.substr(5)||1);return r-n}var p,v=Object.keys(t),m=[],g=[],y=[],b=[],x={},_={};for(p=0;p<r.length;p++){var w,M,k=r[p];if(i.traceIs(k,\"cartesian\"))w=m,M=g;else{if(!i.traceIs(k,\"gl2d\"))continue;w=y,M=b}var A=f.id2name(k.xaxis),T=f.id2name(k.yaxis);if(A&&-1===w.indexOf(A)&&w.push(A),T&&-1===M.indexOf(T)&&M.push(T),i.traceIs(k,\"2dMap\")&&(x[A]=!0,x[T]=!0),i.traceIs(k,\"oriented\")){var E=\"h\"===k.orientation?T:A;_[E]=!0}}var S=e._has(\"gl3d\")||e._has(\"geo\");if(!S)for(p=0;p<v.length;p++){var L=v[p];-1===y.indexOf(L)&&-1===m.indexOf(L)&&l.xAxisMatch.test(L)?m.push(L):-1===b.indexOf(L)&&-1===g.indexOf(L)&&l.yAxisMatch.test(L)&&g.push(L)}m.length&&g.length&&n.pushUnique(e._basePlotModules,i.subplotsRegistry.cartesian);var z=m.concat(y).sort(d),I=g.concat(b).sort(d),P=z.concat(I),C=o.background;z.length&&I.length&&(C=n.coerce(t,e,i.layoutAttributes,\"plot_bgcolor\"));var R=o.combine(C,e.paper_bgcolor);P.forEach(function(i){function o(t,e){return n.coerce(s,l,u,t,e)}var a=i.charAt(0),s=t[i]||{},l={},d={letter:a,font:e.font,outerTicks:x[i],showGrid:!_[i],name:i,data:r,bgColor:R},p={letter:a,counterAxes:{x:I,y:z}[a].map(f.name2id),overlayableAxes:{x:z,y:I}[a].filter(function(e){return e!==i&&!(t[e]||{}).overlaying}).map(f.name2id)};c(s,l,o,d),h(s,l,o,p),e[i]=l,t[i]||\"-\"===s.type||(t[i]={type:s.type})}),P.forEach(function(r){var n=r.charAt(0),i=t[r],o=e[r],l={x:I,y:z}[n];a.supplyLayoutDefaults(t,e,r,l),\"x\"===n&&\"date\"===o.type&&s.supplyLayoutDefaults(i,o,e,l)})}},{\"../../components/color\":483,\"../../components/rangeselector\":537,\"../../components/rangeslider\":542,\"../../lib\":568,\"../plots\":648,\"./axis_defaults\":593,\"./axis_ids\":594,\"./constants\":597,\"./layout_attributes\":601,\"./position_defaults\":604}],603:[function(t,e,r){\"use strict\";function n(t,e,r){var n,o,a,s,l,u=[],c=r.map(function(e){return e[t]}),h=i.bisector(e).left;for(n=0;n<c.length;n++)for(a=c[n],o=0;o<a.length;o++)s=a[o],null!==s&&void 0!==s&&(l=h(u,s),l<u.length-1&&u[l]===s||u.splice(l,0,s));return u}var i=t(\"d3\");e.exports=function(t,e,r,o){switch(e){case\"array\":return Array.isArray(r)?r.slice():[];case\"category ascending\":return n(t,i.ascending,o);case\"category descending\":return n(t,i.descending,o);case\"trace\":return[];default:return[]}}},{d3:119}],604:[function(t,e,r){\"use strict\";var n=t(\"fast-isnumeric\"),i=t(\"../../lib\");e.exports=function(t,e,r,o){var a=o.counterAxes||[],s=o.overlayableAxes||[],l=o.letter,u=i.coerce(t,e,{anchor:{valType:\"enumerated\",values:[\"free\"].concat(a),dflt:n(t.position)?\"free\":a[0]||\"free\"}},\"anchor\");\"free\"===u&&r(\"position\"),i.coerce(t,e,{side:{valType:\"enumerated\",values:\"x\"===l?[\"bottom\",\"top\"]:[\"left\",\"right\"],dflt:\"x\"===l?\"bottom\":\"left\"}},\"side\");var c=!1;if(s.length&&(c=i.coerce(t,e,{overlaying:{valType:\"enumerated\",values:[!1].concat(s),dflt:!1}},\"overlaying\")),!c){var h=r(\"domain\");h[0]>h[1]-.01&&(e.domain=[0,1]),i.noneOrAll(t.domain,e.domain,[0,1])}return e}},{\"../../lib\":568,\"fast-isnumeric\":123}],605:[function(t,e,r){\"use strict\";function n(t){return t._id}var i=t(\"../../lib/polygon\"),o=t(\"../../components/color\"),a=t(\"./axes\"),s=t(\"./constants\"),l=i.filter,u=i.tester,c=s.MINSELECT;e.exports=function(t,e,r,i,h){function f(t){var e=\"y\"===t._id.charAt(0)?1:0;return function(r){return t.p2d(r[e])}}function d(t,e){return t-e}var p,v=i.gd._fullLayout._zoomlayer,m=i.element.getBoundingClientRect(),g=i.plotinfo.x()._offset,y=i.plotinfo.y()._offset,b=e-m.left,x=r-m.top,_=b,w=x,M=\"M\"+b+\",\"+x,k=i.xaxes[0]._length,A=i.yaxes[0]._length,T=i.xaxes.map(n),E=i.yaxes.map(n),S=i.xaxes.concat(i.yaxes);\"lasso\"===h&&(p=l([[b,x]],s.BENDPX));var L=v.selectAll(\"path.select-outline\").data([1,2]);L.enter().append(\"path\").attr(\"class\",function(t){return\"select-outline select-outline-\"+t}).attr(\"transform\",\"translate(\"+g+\", \"+y+\")\").attr(\"d\",M+\"Z\");var z,I,P,C,R,D=v.append(\"path\").attr(\"class\",\"zoombox-corners\").style({fill:o.background,stroke:o.defaultLine,\"stroke-width\":1}).attr(\"transform\",\"translate(\"+g+\", \"+y+\")\").attr(\"d\",\"M0,0Z\"),O=[],F=i.gd,j=[];for(z=0;z<F.calcdata.length;z++)if(I=F.calcdata[z],P=I[0].trace,P._module&&P._module.selectPoints)if(i.subplot){if(P.subplot!==i.subplot)continue;O.push({selectPoints:P._module.selectPoints,cd:I,xaxis:i.xaxes[0],yaxis:i.yaxes[0]})}else{if(-1===T.indexOf(P.xaxis))continue;if(-1===E.indexOf(P.yaxis))continue;O.push({selectPoints:P._module.selectPoints,cd:I,xaxis:a.getFromId(F,P.xaxis),yaxis:a.getFromId(F,P.yaxis)})}i.moveFn=function(t,e){var r,n;_=Math.max(0,Math.min(k,t+b)),w=Math.max(0,Math.min(A,e+x));var o=Math.abs(_-b),a=Math.abs(w-x);for(\"select\"===h?(a<Math.min(.6*o,c)?(r=u([[b,0],[b,A],[_,A],[_,0]]),D.attr(\"d\",\"M\"+r.xmin+\",\"+(x-c)+\"h-4v\"+2*c+\"h4ZM\"+(r.xmax-1)+\",\"+(x-c)+\"h4v\"+2*c+\"h-4Z\")):o<Math.min(.6*a,c)?(r=u([[0,x],[0,w],[k,w],[k,x]]),D.attr(\"d\",\"M\"+(b-c)+\",\"+r.ymin+\"v-4h\"+2*c+\"v4ZM\"+(b-c)+\",\"+(r.ymax-1)+\"v4h\"+2*c+\"v-4Z\")):(r=u([[b,x],[b,w],[_,w],[_,x]]),D.attr(\"d\",\"M0,0Z\")),L.attr(\"d\",\"M\"+r.xmin+\",\"+r.ymin+\"H\"+(r.xmax-1)+\"V\"+(r.ymax-1)+\"H\"+r.xmin+\"Z\")):\"lasso\"===h&&(p.addPt([_,w]),r=u(p.filtered),L.attr(\"d\",\"M\"+p.filtered.join(\"L\")+\"Z\")),j=[],z=0;z<O.length;z++)C=O[z],[].push.apply(j,C.selectPoints(C,r));if(R={points:j},\"select\"===h){var s,l=R.range={};for(z=0;z<S.length;z++)n=S[z],s=n._id.charAt(0),l[n._id]=[n.p2d(r[s+\"min\"]),n.p2d(r[s+\"max\"])].sort(d)}else{var v=R.lassoPoints={};for(z=0;z<S.length;z++)n=S[z],v[n._id]=p.filtered.map(f(n))}i.gd.emit(\"plotly_selecting\",R)},i.doneFn=function(t,e){if(D.remove(),t||2!==e)i.gd.emit(\"plotly_selected\",R);else{for(L.remove(),z=0;z<O.length;z++)C=O[z],C.selectPoints(C,!1);F.emit(\"plotly_deselect\",null)}}}},{\"../../components/color\":483,\"../../lib/polygon\":574,\"./axes\":592,\"./constants\":597}],606:[function(t,e,r){\"use strict\";var n=t(\"d3\"),i=t(\"fast-isnumeric\"),o=t(\"../../lib\"),a=t(\"./constants\"),s=t(\"./clean_datum\"),l=t(\"./axis_ids\");e.exports=function(t){function e(e,r){if(e>0)return Math.log(e)/Math.LN10;if(0>=e&&r&&t.range&&2===t.range.length){var n=t.range[0],i=t.range[1];return.5*(n+i-3*c*Math.abs(n-i))}return a.BADNUM}function r(t){return Math.pow(10,t)}function u(t){return i(t)?Number(t):a.BADNUM}var c=10;if(t.c2l=\"log\"===t.type?e:u,t.l2c=\"log\"===t.type?r:u,t.l2d=function(e){return t.c2d(t.l2c(e))},t.p2d=function(e){return t.l2d(t.p2l(e))},t.setScale=function(){var e,r=t._gd._fullLayout._size;if(t._categories||(t._categories=[]),t.overlaying){var n=l.getFromId(t._gd,t.overlaying);t.domain=n.domain}for(t.range&&2===t.range.length&&t.range[0]!==t.range[1]||(t.range=[-1,1]),e=0;2>e;e++)i(t.range[e])||(t.range[e]=i(t.range[1-e])?t.range[1-e]*(e?10:.1):e?1:-1),t.range[e]<-(Number.MAX_VALUE/2)?t.range[e]=-(Number.MAX_VALUE/2):t.range[e]>Number.MAX_VALUE/2&&(t.range[e]=Number.MAX_VALUE/2);if(\"y\"===t._id.charAt(0)?(t._offset=r.t+(1-t.domain[1])*r.h,t._length=r.h*(t.domain[1]-t.domain[0]),t._m=t._length/(t.range[0]-t.range[1]),t._b=-t._m*t.range[1]):(t._offset=r.l+t.domain[0]*r.w,t._length=r.w*(t.domain[1]-t.domain[0]),t._m=t._length/(t.range[1]-t.range[0]),t._b=-t._m*t.range[0]),!isFinite(t._m)||!isFinite(t._b))throw o.notifier(\"Something went wrong with axis scaling\",\"long\"),t._gd._replotting=!1,new Error(\"axis scaling\")},t.l2p=function(e){return i(e)?n.round(t._b+t._m*e,2):a.BADNUM},t.p2l=function(e){return(e-t._b)/t._m},t.c2p=function(e,r){return t.l2p(t.c2l(e,r))},t.p2c=function(e){return t.l2c(t.p2l(e))},-1!==[\"linear\",\"log\",\"-\"].indexOf(t.type))t.c2d=u,t.d2c=function(t){return t=s(t),i(t)?Number(t):a.BADNUM},t.d2l=function(e,r){return\"log\"===t.type?t.c2l(t.d2c(e),r):t.d2c(e)};else if(\"date\"===t.type){if(t.c2d=function(t){return i(t)?o.ms2DateTime(t):a.BADNUM},t.d2c=function(t){return i(t)?Number(t):o.dateTime2ms(t)},t.d2l=t.d2c,t.range&&t.range.length>1)try{var h=t.range.map(o.dateTime2ms);!i(t.range[0])&&i(h[0])&&(t.range[0]=h[0]),!i(t.range[1])&&i(h[1])&&(t.range[1]=h[1])}catch(f){o.error(f,t.range)}}else\"category\"===t.type&&(t.c2d=function(e){return t._categories[Math.round(e)]},t.d2c=function(e){null!==e&&void 0!==e&&-1===t._categories.indexOf(e)&&t._categories.push(e);var r=t._categories.indexOf(e);return-1===r?a.BADNUM:r},t.d2l=t.d2c);t.makeCalcdata=function(e,r){var n,i,o;if(r in e)for(n=e[r],i=new Array(n.length),o=0;o<n.length;o++)i[o]=t.d2c(n[o]);else{var a=r+\"0\"in e?t.d2c(e[r+\"0\"]):0,s=e[\"d\"+r]?Number(e[\"d\"+r]):1;for(n=e[{x:\"y\",y:\"x\"}[r]],i=new Array(n.length),o=0;o<n.length;o++)i[o]=a+o*s}return i},t._min=[],t._max=[],t._minDtick=null,t._forceTick0=null}},{\"../../lib\":568,\"./axis_ids\":594,\"./clean_datum\":596,\"./constants\":597,d3:119,\"fast-isnumeric\":123}],607:[function(t,e,r){\"use strict\";function n(t){var e=[\"showexponent\",\"showtickprefix\",\"showticksuffix\"],r=e.filter(function(e){return void 0!==t[e]}),n=function(e){return t[e]===t[r[0]]};return r.every(n)||1===r.length?t[r[0]]:void 0}var i=t(\"../../lib\");e.exports=function(t,e,r,o,a){var s=n(t),l=r(\"tickprefix\");l&&r(\"showtickprefix\",s);var u=r(\"ticksuffix\");u&&r(\"showticksuffix\",s);var c=r(\"showticklabels\");if(c){var h=a.font||{},f=e.color===t.color?e.color:h.color;if(i.coerceFont(r,\"tickfont\",{family:h.family,size:h.size,color:f}),r(\"tickangle\"),\"category\"!==o){var d=r(\"tickformat\");d||\"date\"===o||(r(\"showexponent\",s),r(\"exponentformat\"))}}\"category\"===o||a.noHover||r(\"hoverformat\")}},{\"../../lib\":568}],608:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"./layout_attributes\");e.exports=function(t,e,r,o){var a=n.coerce2(t,e,i,\"ticklen\"),s=n.coerce2(t,e,i,\"tickwidth\"),l=n.coerce2(t,e,i,\"tickcolor\",e.color),u=r(\"ticks\",o.outerTicks||a||s||l?\"outside\":\"\");u||(delete e.ticklen,delete e.tickwidth,delete e.tickcolor)}},{\"../../lib\":568,\"./layout_attributes\":601}],609:[function(t,e,r){\"use strict\";var n=t(\"fast-isnumeric\");e.exports=function(t,e,r,i){var o=\"auto\";\"array\"!==t.tickmode||\"log\"!==i&&\"date\"!==i||(t.tickmode=\"auto\"),Array.isArray(t.tickvals)?o=\"array\":t.dtick&&n(t.dtick)&&(o=\"linear\");var a=r(\"tickmode\",o);if(\"auto\"===a)r(\"nticks\");else if(\"linear\"===a)r(\"tick0\"),r(\"dtick\");else{var s=r(\"tickvals\");void 0===s?e.tickmode=\"auto\":r(\"ticktext\")}}},{\"fast-isnumeric\":123}],610:[function(t,e,r){\"use strict\";e.exports={family:{valType:\"string\",noBlank:!0,strict:!0},size:{valType:\"number\",min:1},color:{valType:\"color\"}}},{}],611:[function(t,e,r){\"use strict\";var n=e.exports={};n.projNames={equirectangular:\"equirectangular\",mercator:\"mercator\",orthographic:\"orthographic\",\"natural earth\":\"naturalEarth\",kavrayskiy7:\"kavrayskiy7\",miller:\"miller\",robinson:\"robinson\",eckert4:\"eckert4\",\"azimuthal equal area\":\"azimuthalEqualArea\",\"azimuthal equidistant\":\"azimuthalEquidistant\",\"conic equal area\":\"conicEqualArea\",\"conic conformal\":\"conicConformal\",\"conic equidistant\":\"conicEquidistant\",gnomonic:\"gnomonic\",stereographic:\"stereographic\",mollweide:\"mollweide\",hammer:\"hammer\",\"transverse mercator\":\"transverseMercator\",\"albers usa\":\"albersUsa\",\"winkel tripel\":\"winkel3\"},n.axesNames=[\"lonaxis\",\"lataxis\"],n.lonaxisSpan={orthographic:180,\"azimuthal equal area\":360,\"azimuthal equidistant\":360,\"conic conformal\":180,gnomonic:160,stereographic:180,\"transverse mercator\":180,\"*\":360},n.lataxisSpan={\"conic conformal\":150,stereographic:179.5,\"*\":180},n.scopeDefaults={world:{lonaxisRange:[-180,180],lataxisRange:[-90,90],projType:\"equirectangular\",projRotate:[0,0,0]},usa:{lonaxisRange:[-180,-50],lataxisRange:[15,80],projType:\"albers usa\"},europe:{lonaxisRange:[-30,60],lataxisRange:[30,80],projType:\"conic conformal\",projRotate:[15,0,0],projParallels:[0,60]},asia:{lonaxisRange:[22,160],lataxisRange:[-15,55],projType:\"mercator\",projRotate:[0,0,0]},africa:{lonaxisRange:[-30,60],lataxisRange:[-40,40],projType:\"mercator\",projRotate:[0,0,0]},\"north america\":{lonaxisRange:[-180,-45],lataxisRange:[5,85],projType:\"conic conformal\",projRotate:[-100,0,0],projParallels:[29.5,45.5]},\"south america\":{lonaxisRange:[-100,-30],lataxisRange:[-60,15],projType:\"mercator\",projRotate:[0,0,0]}},n.clipPad=.001,n.precision=.1,n.landColor=\"#F0DC82\",n.waterColor=\"#3399FF\",n.locationmodeToLayer={\"ISO-3\":\"countries\",\"USA-states\":\"subunits\",\"country names\":\"countries\"},n.sphereSVG={type:\"Sphere\"},n.fillLayers=[\"ocean\",\"land\",\"lakes\"],n.lineLayers=[\"subunits\",\"countries\",\"coastlines\",\"rivers\",\"frame\"],n.baseLayers=[\"ocean\",\"land\",\"lakes\",\"subunits\",\"countries\",\"coastlines\",\"rivers\",\"lataxis\",\"lonaxis\",\"frame\"],n.layerNameToAdjective={ocean:\"ocean\",land:\"land\",lakes:\"lake\",subunits:\"subunit\",countries:\"country\",coastlines:\"coastline\",rivers:\"river\",frame:\"frame\"},n.baseLayersOverChoropleth=[\"rivers\",\"lakes\"]},{}],612:[function(t,e,r){\"use strict\";function n(t,e){this.id=t.id,this.graphDiv=t.graphDiv,this.container=t.container,this.topojsonURL=t.topojsonURL,p(u),this.hoverContainer=null,this.topojsonName=null,this.topojson=null,this.projectionType=null,this.projection=null,this.clipAngle=null,this.setScale=null,this.path=null,this.zoom=null,this.zoomReset=null,this.makeFramework(),this.updateFx(e.hovermode),this.traceHash={}}function i(t,e,r){return u.geo.graticule().extent([[t[0],e[0]],[t[1],e[1]]]).step(r)}function o(t,e,r){var n=y.layerNameToAdjective[e];t.select(\".\"+e).selectAll(\"path\").attr(\"stroke\",\"none\").call(c.fill,r[n+\"color\"])}function a(t,e,r){var n=y.layerNameToAdjective[e];t.select(\".\"+e).selectAll(\"path\").attr(\"fill\",\"none\").call(c.stroke,r[n+\"color\"]).call(h.dashLine,\"\",r[n+\"width\"])}function s(t,e,r){t.select(\".\"+e+\"graticule\").selectAll(\"path\").attr(\"fill\",\"none\").call(c.stroke,r[e].gridcolor).call(h.dashLine,\"\",r[e].gridwidth)}function l(t){var e={type:\"linear\",showexponent:\"all\",exponentformat:f.layoutAttributes.exponentformat.dflt,_gd:{_fullLayout:t}};return f.setConvert(e),e}var u=t(\"d3\"),c=t(\"../../components/color\"),h=t(\"../../components/drawing\"),f=t(\"../../plots/cartesian/axes\"),d=t(\"../../lib/filter_visible\"),p=t(\"./projections\"),v=t(\"./set_scale\"),m=t(\"./zoom\"),g=t(\"./zoom_reset\"),y=t(\"./constants\"),b=t(\"../../constants/xmlns_namespaces\"),x=t(\"../../lib/topojson_utils\"),_=t(\"topojson\").feature;e.exports=n;var w=n.prototype;w.plot=function(t,e,r){var n,i,o=this,a=e[o.id],s=e._size;o.projection=null,o.setScale=v(a,s),o.makeProjection(a),o.makePath(),o.adjustLayout(a,s),o.zoom=m(o,a),o.zoomReset=g(o,a),o.mockAxis=l(e),o.framework.call(o.zoom).on(\"dblclick.zoom\",o.zoomReset),n=x.getTopojsonName(a),null===o.topojson||n!==o.topojsonName?(o.topojsonName=n,void 0!==PlotlyGeoAssets.topojson[o.topojsonName]?(o.topojson=PlotlyGeoAssets.topojson[o.topojsonName],o.onceTopojsonIsLoaded(t,a)):(i=x.getTopojsonPath(o.topojsonURL,o.topojsonName),r.push(new Promise(function(e,r){u.json(i,function(n,s){return n?void r(404===n.status?new Error([\"plotly.js could not find topojson file at\",i,\".\",\"Make sure the *topojsonURL* plot config option\",\"is set properly.\"].join(\" \")):new Error([\"unexpected error while fetching topojson file at\",i].join(\" \"))):(o.topojson=s,PlotlyGeoAssets.topojson[o.topojsonName]=s,o.onceTopojsonIsLoaded(t,a),void e())})})))):o.onceTopojsonIsLoaded(t,a)},w.onceTopojsonIsLoaded=function(t,e){var r;this.drawLayout(e);\nvar n=this.traceHash,i={};for(r=0;r<t.length;r++){var o=t[r];i[o.type]=i[o.type]||[],i[o.type].push(o)}var a=Object.keys(n),s=Object.keys(i);for(r=0;r<a.length;r++){var l=a[r];if(-1===s.indexOf(l)){var u=n[l][0];u.visible=!1,i[l]=[u]}}for(s=Object.keys(i),r=0;r<s.length;r++){var c=i[s[r]],h=c[0]._module;h.plot(this,d(c),e)}this.traceHash=i,this.render()},w.updateFx=function(t){this.showHover=t!==!1},w.makeProjection=function(t){var e,r=t.projection,n=r.type,i=null===this.projection||n!==this.projectionType;i?(this.projectionType=n,e=this.projection=u.geo[y.projNames[n]]()):e=this.projection,e.translate(r._translate0).precision(y.precision),t._isAlbersUsa||e.rotate(r._rotate).center(r._center),t._clipAngle?(this.clipAngle=t._clipAngle,e.clipAngle(t._clipAngle-y.clipPad)):this.clipAngle=null,r.parallels&&e.parallels(r.parallels),i&&this.setScale(e),e.translate(r._translate).scale(r._scale)},w.makePath=function(){this.path=u.geo.path().projection(this.projection)},w.makeFramework=function(){var t=this.geoDiv=u.select(this.container).append(\"div\");t.attr(\"id\",this.id).style(\"position\",\"absolute\");var e=this.hoverContainer=t.append(\"svg\");e.attr(b.svgAttrs).style({position:\"absolute\",\"z-index\":20,\"pointer-events\":\"none\"});var r=this.framework=t.append(\"svg\");r.attr(b.svgAttrs).attr({position:\"absolute\",preserveAspectRatio:\"none\"}),r.append(\"g\").attr(\"class\",\"bglayer\").append(\"rect\"),r.append(\"g\").attr(\"class\",\"baselayer\"),r.append(\"g\").attr(\"class\",\"choroplethlayer\"),r.append(\"g\").attr(\"class\",\"baselayeroverchoropleth\"),r.append(\"g\").attr(\"class\",\"scattergeolayer\"),r.on(\"dblclick.zoom\",null)},w.adjustLayout=function(t,e){var r=t.domain;this.geoDiv.style({left:e.l+e.w*r.x[0]+t._marginX+\"px\",top:e.t+e.h*(1-r.y[1])+t._marginY+\"px\",width:t._width+\"px\",height:t._height+\"px\"}),this.hoverContainer.attr({width:t._width,height:t._height}),this.framework.attr({width:t._width,height:t._height}),this.framework.select(\".bglayer\").select(\"rect\").attr({width:t._width,height:t._height}).call(c.fill,t.bgcolor)},w.drawTopo=function(t,e,r){if(r[\"show\"+e]===!0){var n=this.topojson,i=\"frame\"===e?y.sphereSVG:_(n,n.objects[e]);t.append(\"g\").datum(i).attr(\"class\",e).append(\"path\").attr(\"class\",\"basepath\")}},w.drawGraticule=function(t,e,r){var n=r[e];if(n.showgrid===!0){var o=y.scopeDefaults[r.scope],a=o.lonaxisRange,s=o.lataxisRange,l=\"lonaxis\"===e?[n.dtick]:[0,n.dtick],u=i(a,s,l);t.append(\"g\").datum(u).attr(\"class\",e+\"graticule\").append(\"path\").attr(\"class\",\"graticulepath\")}},w.drawLayout=function(t){var e,r=this.framework.select(\"g.baselayer\"),n=y.baseLayers,i=y.axesNames;r.selectAll(\"*\").remove();for(var o=0;o<n.length;o++)e=n[o],-1!==i.indexOf(e)?this.drawGraticule(r,e,t):this.drawTopo(r,e,t);this.styleLayout(t)},w.styleLayer=function(t,e,r){var n=y.fillLayers,i=y.lineLayers;-1!==n.indexOf(e)?o(t,e,r):-1!==i.indexOf(e)&&a(t,e,r)},w.styleLayout=function(t){for(var e,r=this.framework.select(\"g.baselayer\"),n=y.baseLayers,i=y.axesNames,o=0;o<n.length;o++)e=n[o],-1!==i.indexOf(e)?s(r,e,t):this.styleLayer(r,e,t)},w.render=function(){function t(t){var e=o([t.lon,t.lat]);return e?\"translate(\"+e[0]+\",\"+e[1]+\")\":null}function e(t){var e=o.rotate(),r=u.geo.distance([t.lon,t.lat],[-e[0],-e[1]]),n=s*Math.PI/180;return r>n?\"0\":\"1.0\"}var r=this.framework,n=r.select(\"g.choroplethlayer\"),i=r.select(\"g.scattergeolayer\"),o=this.projection,a=this.path,s=this.clipAngle;r.selectAll(\"path.basepath\").attr(\"d\",a),r.selectAll(\"path.graticulepath\").attr(\"d\",a),n.selectAll(\"path.choroplethlocation\").attr(\"d\",a),n.selectAll(\"path.basepath\").attr(\"d\",a),i.selectAll(\"path.js-line\").attr(\"d\",a),null!==s?(i.selectAll(\"path.point\").style(\"opacity\",e).attr(\"transform\",t),i.selectAll(\"text\").style(\"opacity\",e).attr(\"transform\",t)):(i.selectAll(\"path.point\").attr(\"transform\",t),i.selectAll(\"text\").attr(\"transform\",t))}},{\"../../components/color\":483,\"../../components/drawing\":506,\"../../constants/xmlns_namespaces\":556,\"../../lib/filter_visible\":564,\"../../lib/topojson_utils\":582,\"../../plots/cartesian/axes\":592,\"./constants\":611,\"./projections\":619,\"./set_scale\":620,\"./zoom\":621,\"./zoom_reset\":622,d3:119,topojson:455}],613:[function(t,e,r){\"use strict\";var n=t(\"./geo\"),i=t(\"../../plots/plots\");r.name=\"geo\",r.attr=\"geo\",r.idRoot=\"geo\",r.idRegex=/^geo([2-9]|[1-9][0-9]+)?$/,r.attrRegex=/^geo([2-9]|[1-9][0-9]+)?$/,r.attributes=t(\"./layout/attributes\"),r.layoutAttributes=t(\"./layout/layout_attributes\"),r.supplyLayoutDefaults=t(\"./layout/defaults\"),r.plot=function(t){var e=t._fullLayout,r=t._fullData,o=i.getSubplotIds(e,\"geo\");void 0===window.PlotlyGeoAssets&&(window.PlotlyGeoAssets={topojson:{}});for(var a=0;a<o.length;a++){var s=o[a],l=i.getSubplotData(r,\"geo\",s),u=e[s]._geo;void 0===u&&(u=new n({id:s,graphDiv:t,container:e._geocontainer.node(),topojsonURL:t._context.topojsonURL},e),e[s]._geo=u),u.plot(l,e,t._promises)}},r.clean=function(t,e,r,n){for(var o=i.getSubplotIds(n,\"geo\"),a=0;a<o.length;a++){var s=o[a],l=n[s]._geo;!e[s]&&l&&l.geoDiv.remove()}},r.toSVG=function(t){for(var e=t._fullLayout,r=i.getSubplotIds(e,\"geo\"),n=e._size,o=0;o<r.length;o++){var a=e[r[o]],s=a.domain,l=a._geo.framework;l.attr(\"style\",null),l.attr({x:n.l+n.w*s.x[0]+a._marginX,y:n.t+n.h*(1-s.y[1])+a._marginY,width:a._width,height:a._height}),e._geoimages.node().appendChild(l.node())}}},{\"../../plots/plots\":648,\"./geo\":612,\"./layout/attributes\":614,\"./layout/defaults\":617,\"./layout/layout_attributes\":618}],614:[function(t,e,r){\"use strict\";e.exports={geo:{valType:\"subplotid\",dflt:\"geo\"}}},{}],615:[function(t,e,r){\"use strict\";var n=t(\"../../../components/color/attributes\");e.exports={range:{valType:\"info_array\",items:[{valType:\"number\"},{valType:\"number\"}]},showgrid:{valType:\"boolean\",dflt:!1},tick0:{valType:\"number\"},dtick:{valType:\"number\"},gridcolor:{valType:\"color\",dflt:n.lightLine},gridwidth:{valType:\"number\",min:0,dflt:1}}},{\"../../../components/color/attributes\":482}],616:[function(t,e,r){\"use strict\";var n=t(\"../../../lib\"),i=t(\"../constants\"),o=t(\"./axis_attributes\");e.exports=function(t,e){function r(t,e){return n.coerce(s,l,o,t,e)}function a(t){var r,n,o,a,s,l,u=e.scope;return\"world\"===u?(r=e.projection,n=r.type,o=r.rotation,s=i[t+\"Span\"],l=void 0!==s[n]?s[n]/2:s[\"*\"]/2,a=\"lonaxis\"===t?o.lon:o.lat,[a-l,a+l]):i.scopeDefaults[u][t+\"Range\"]}for(var s,l,u=i.axesNames,c=0;c<u.length;c++){var h=u[c];s=t[h]||{},l={};var f=a(h),d=r(\"range\",f);n.noneOrAll(s.range,l.range,[0,1]),r(\"tick0\",d[0]),r(\"dtick\",\"lonaxis\"===h?30:10);var p=r(\"showgrid\");p&&(r(\"gridcolor\"),r(\"gridwidth\")),e[h]=l,e[h]._fullRange=f}}},{\"../../../lib\":568,\"../constants\":611,\"./axis_attributes\":615}],617:[function(t,e,r){\"use strict\";function n(t,e,r){var n,i=r(\"scope\"),a=\"world\"!==i,l=o.scopeDefaults[i],u=r(\"resolution\"),c=r(\"projection.type\",l.projType),h=\"albers usa\"===c,f=-1!==c.indexOf(\"conic\");if(f){var d=l.projParallels||[0,60];r(\"projection.parallels\",d)}if(h)e.scope=\"usa\";else{var p=l.projRotate||[0,0,0];r(\"projection.rotation.lon\",p[0]),r(\"projection.rotation.lat\",p[1]),r(\"projection.rotation.roll\",p[2]),n=r(\"showcoastlines\",!a),n&&(r(\"coastlinecolor\"),r(\"coastlinewidth\")),n=r(\"showocean\"),n&&r(\"oceancolor\")}r(\"projection.scale\"),n=r(\"showland\"),n&&r(\"landcolor\"),n=r(\"showlakes\"),n&&r(\"lakecolor\"),n=r(\"showrivers\"),n&&(r(\"rivercolor\"),r(\"riverwidth\")),n=r(\"showcountries\",a),n&&(r(\"countrycolor\"),r(\"countrywidth\")),(\"usa\"===i||\"north america\"===i&&50===u)&&(r(\"showsubunits\",!0),r(\"subunitcolor\"),r(\"subunitwidth\")),a||(n=r(\"showframe\",!0),n&&(r(\"framecolor\"),r(\"framewidth\"))),r(\"bgcolor\"),s(t,e),e._isHighRes=50===u,e._clipAngle=o.lonaxisSpan[c]/2,e._isAlbersUsa=h,e._isConic=f,e._isScoped=a;var v=e.projection.rotation||{};e.projection._rotate=[-v.lon||0,-v.lat||0,v.roll||0]}var i=t(\"../../subplot_defaults\"),o=t(\"../constants\"),a=t(\"./layout_attributes\"),s=t(\"./axis_defaults\");e.exports=function(t,e,r){i(t,e,r,{type:\"geo\",attributes:a,handleDefaults:n,partition:\"y\"})}},{\"../../subplot_defaults\":654,\"../constants\":611,\"./axis_defaults\":616,\"./layout_attributes\":618}],618:[function(t,e,r){\"use strict\";var n=t(\"../../../components/color/attributes\"),i=t(\"../constants\"),o=t(\"./axis_attributes\");e.exports={domain:{x:{valType:\"info_array\",items:[{valType:\"number\",min:0,max:1},{valType:\"number\",min:0,max:1}],dflt:[0,1]},y:{valType:\"info_array\",items:[{valType:\"number\",min:0,max:1},{valType:\"number\",min:0,max:1}],dflt:[0,1]}},resolution:{valType:\"enumerated\",values:[110,50],dflt:110,coerceNumber:!0},scope:{valType:\"enumerated\",values:Object.keys(i.scopeDefaults),dflt:\"world\"},projection:{type:{valType:\"enumerated\",values:Object.keys(i.projNames)},rotation:{lon:{valType:\"number\"},lat:{valType:\"number\"},roll:{valType:\"number\"}},parallels:{valType:\"info_array\",items:[{valType:\"number\"},{valType:\"number\"}]},scale:{valType:\"number\",min:0,max:10,dflt:1}},showcoastlines:{valType:\"boolean\"},coastlinecolor:{valType:\"color\",dflt:n.defaultLine},coastlinewidth:{valType:\"number\",min:0,dflt:1},showland:{valType:\"boolean\",dflt:!1},landcolor:{valType:\"color\",dflt:i.landColor},showocean:{valType:\"boolean\",dflt:!1},oceancolor:{valType:\"color\",dflt:i.waterColor},showlakes:{valType:\"boolean\",dflt:!1},lakecolor:{valType:\"color\",dflt:i.waterColor},showrivers:{valType:\"boolean\",dflt:!1},rivercolor:{valType:\"color\",dflt:i.waterColor},riverwidth:{valType:\"number\",min:0,dflt:1},showcountries:{valType:\"boolean\"},countrycolor:{valType:\"color\",dflt:n.defaultLine},countrywidth:{valType:\"number\",min:0,dflt:1},showsubunits:{valType:\"boolean\"},subunitcolor:{valType:\"color\",dflt:n.defaultLine},subunitwidth:{valType:\"number\",min:0,dflt:1},showframe:{valType:\"boolean\"},framecolor:{valType:\"color\",dflt:n.defaultLine},framewidth:{valType:\"number\",min:0,dflt:1},bgcolor:{valType:\"color\",dflt:n.background},lonaxis:o,lataxis:o}},{\"../../../components/color/attributes\":482,\"../constants\":611,\"./axis_attributes\":615}],619:[function(t,e,r){\"use strict\";function n(t){function e(t,e){return{type:\"Feature\",id:t.id,properties:t.properties,geometry:r(t.geometry,e)}}function r(e,n){if(!e)return null;if(\"GeometryCollection\"===e.type)return{type:\"GeometryCollection\",geometries:object.geometries.map(function(t){return r(t,n)})};if(!S.hasOwnProperty(e.type))return null;var i=S[e.type];return t.geo.stream(e,n(i)),i.result()}function n(){}function i(t){if((e=t.length)<4)return!1;for(var e,r=0,n=t[e-1][1]*t[0][0]-t[e-1][0]*t[0][1];++r<e;)n+=t[r-1][1]*t[r][0]-t[r-1][0]*t[r][1];return 0>=n}function o(t,e){for(var r=e[0],n=e[1],i=!1,o=0,a=t.length,s=a-1;a>o;s=o++){var l=t[o],u=l[0],c=l[1],h=t[s],f=h[0],d=h[1];c>n^d>n&&(f-u)*(n-c)/(d-c)+u>r&&(i=!i)}return i}function a(t){return t?t/Math.sin(t):1}function s(t){return t>1?P:-1>t?-P:Math.asin(t)}function l(t){return t>1?0:-1>t?I:Math.acos(t)}function u(t,e){var r=(2+P)*Math.sin(e);e/=2;for(var n=0,i=1/0;10>n&&Math.abs(i)>L;n++){var o=Math.cos(e);e-=i=(e+Math.sin(e)*(o+2)-r)/(2*o*(1+o))}return[2/Math.sqrt(I*(4+I))*t*(1+Math.cos(e)),2*Math.sqrt(I/(4+I))*Math.sin(e)]}function c(t,e){function r(r,n){var i=F(r/e,n);return i[0]*=t,i}return arguments.length<2&&(e=t),1===e?F:e===1/0?f:(r.invert=function(r,n){var i=F.invert(r/t,n);return i[0]*=e,i},r)}function h(){var t=2,e=O(c),r=e(t);return r.coefficient=function(r){return arguments.length?e(t=+r):t},r}function f(t,e){return[t*Math.cos(e)/Math.cos(e/=2),2*Math.sin(e)]}function d(t,e){return[3*t/(2*I)*Math.sqrt(I*I/3-e*e),e]}function p(t,e){return[t,1.25*Math.log(Math.tan(I/4+.4*e))]}function v(t){return function(e){var r,n=t*Math.sin(e),i=30;do e-=r=(e+Math.sin(e)-n)/(1+Math.cos(e));while(Math.abs(r)>L&&--i>0);return e/2}}function m(t,e,r){function n(r,n){return[t*r*Math.cos(n=i(n)),e*Math.sin(n)]}var i=v(r);return n.invert=function(n,i){var o=s(i/e);return[n/(t*Math.cos(o)),s((2*o+Math.sin(2*o))/r)]},n}function g(t,e){var r=e*e,n=r*r;return[t*(.8707-.131979*r+n*(-.013791+n*(.003971*r-.001529*n))),e*(1.007226+r*(.015085+n*(-.044475+.028874*r-.005916*n)))]}function y(t,e){var r,n=Math.min(18,36*Math.abs(e)/I),i=Math.floor(n),o=n-i,a=(r=N[i])[0],s=r[1],l=(r=N[++i])[0],u=r[1],c=(r=N[Math.min(19,++i)])[0],h=r[1];return[t*(l+o*(c-a)/2+o*o*(c-2*l+a)/2),(e>0?P:-P)*(u+o*(h-s)/2+o*o*(h-2*u+s)/2)]}function b(t,e){return[t*Math.cos(e),e]}function x(t,e){var r=Math.cos(e),n=a(l(r*Math.cos(t/=2)));return[2*r*Math.sin(t)*n,Math.sin(e)*n]}function _(t,e){var r=x(t,e);return[(r[0]+t/P)/2,(r[1]+e)/2]}t.geo.project=function(t,e){var n=e.stream;if(!n)throw new Error(\"not yet supported\");return(t&&w.hasOwnProperty(t.type)?w[t.type]:r)(t,n)};var w={Feature:e,FeatureCollection:function(t,r){return{type:\"FeatureCollection\",features:t.features.map(function(t){return e(t,r)})}}},M=[],k=[],A={point:function(t,e){M.push([t,e])},result:function(){var t=M.length?M.length<2?{type:\"Point\",coordinates:M[0]}:{type:\"MultiPoint\",coordinates:M}:null;return M=[],t}},T={lineStart:n,point:function(t,e){M.push([t,e])},lineEnd:function(){M.length&&(k.push(M),M=[])},result:function(){var t=k.length?k.length<2?{type:\"LineString\",coordinates:k[0]}:{type:\"MultiLineString\",coordinates:k}:null;return k=[],t}},E={polygonStart:n,lineStart:n,point:function(t,e){M.push([t,e])},lineEnd:function(){var t=M.length;if(t){do M.push(M[0].slice());while(++t<4);k.push(M),M=[]}},polygonEnd:n,result:function(){if(!k.length)return null;var t=[],e=[];return k.forEach(function(r){i(r)?t.push([r]):e.push(r)}),e.forEach(function(e){var r=e[0];t.some(function(t){return o(t[0],r)?(t.push(e),!0):void 0})||t.push([e])}),k=[],t.length?t.length>1?{type:\"MultiPolygon\",coordinates:t}:{type:\"Polygon\",coordinates:t[0]}:null}},S={Point:A,MultiPoint:A,LineString:T,MultiLineString:T,Polygon:E,MultiPolygon:E,Sphere:E},L=1e-6,z=L*L,I=Math.PI,P=I/2,C=(Math.sqrt(I),I/180),R=180/I,D=t.geo.projection,O=t.geo.projectionMutator;t.geo.interrupt=function(e){function r(t,r){for(var n=0>r?-1:1,i=l[+(0>r)],o=0,a=i.length-1;a>o&&t>i[o][2][0];++o);var s=e(t-i[o][1][0],r);return s[0]+=e(i[o][1][0],n*r>n*i[o][0][1]?i[o][0][1]:r)[0],s}function n(){s=l.map(function(t){return t.map(function(t){var r,n=e(t[0][0],t[0][1])[0],i=e(t[2][0],t[2][1])[0],o=e(t[1][0],t[0][1])[1],a=e(t[1][0],t[1][1])[1];return o>a&&(r=o,o=a,a=r),[[n,o],[i,a]]})})}function i(){for(var e=1e-6,r=[],n=0,i=l[0].length;i>n;++n){var a=l[0][n],s=180*a[0][0]/I,u=180*a[0][1]/I,c=180*a[1][1]/I,h=180*a[2][0]/I,f=180*a[2][1]/I;r.push(o([[s+e,u+e],[s+e,c-e],[h-e,c-e],[h-e,f+e]],30))}for(var n=l[1].length-1;n>=0;--n){var a=l[1][n],s=180*a[0][0]/I,u=180*a[0][1]/I,c=180*a[1][1]/I,h=180*a[2][0]/I,f=180*a[2][1]/I;r.push(o([[h-e,f-e],[h-e,c+e],[s+e,c+e],[s+e,u-e]],30))}return{type:\"Polygon\",coordinates:[t.merge(r)]}}function o(t,e){for(var r,n,i,o=-1,a=t.length,s=t[0],l=[];++o<a;){r=t[o],n=(r[0]-s[0])/e,i=(r[1]-s[1])/e;for(var u=0;e>u;++u)l.push([s[0]+u*n,s[1]+u*i]);s=r}return l.push(r),l}function a(t,e){return Math.abs(t[0]-e[0])<L&&Math.abs(t[1]-e[1])<L}var s,l=[[[[-I,0],[0,P],[I,0]]],[[[-I,0],[0,-P],[I,0]]]];e.invert&&(r.invert=function(t,n){for(var i=s[+(0>n)],o=l[+(0>n)],u=0,c=i.length;c>u;++u){var h=i[u];if(h[0][0]<=t&&t<h[1][0]&&h[0][1]<=n&&n<h[1][1]){var f=e.invert(t-e(o[u][1][0],0)[0],n);return f[0]+=o[u][1][0],a(r(f[0],f[1]),[t,n])?f:null}}});var u=t.geo.projection(r),c=u.stream;return u.stream=function(e){var r=u.rotate(),n=c(e),o=(u.rotate([0,0]),c(e));return u.rotate(r),n.sphere=function(){t.geo.stream(i(),o)},n},u.lobes=function(t){return arguments.length?(l=t.map(function(t){return t.map(function(t){return[[t[0][0]*I/180,t[0][1]*I/180],[t[1][0]*I/180,t[1][1]*I/180],[t[2][0]*I/180,t[2][1]*I/180]]})}),n(),u):l.map(function(t){return t.map(function(t){return[[180*t[0][0]/I,180*t[0][1]/I],[180*t[1][0]/I,180*t[1][1]/I],[180*t[2][0]/I,180*t[2][1]/I]]})})},u},u.invert=function(t,e){var r=.5*e*Math.sqrt((4+I)/I),n=s(r),i=Math.cos(n);return[t/(2/Math.sqrt(I*(4+I))*(1+i)),s((n+r*(i+2))/(2+P))]},(t.geo.eckert4=function(){return D(u)}).raw=u;var F=t.geo.azimuthalEqualArea.raw;f.invert=function(t,e){var r=2*s(e/2);return[t*Math.cos(r/2)/Math.cos(r),r]},(t.geo.hammer=h).raw=c,d.invert=function(t,e){return[2/3*I*t/Math.sqrt(I*I/3-e*e),e]},(t.geo.kavrayskiy7=function(){return D(d)}).raw=d,p.invert=function(t,e){return[t,2.5*Math.atan(Math.exp(.8*e))-.625*I]},(t.geo.miller=function(){return D(p)}).raw=p;var j=(v(I),m(Math.SQRT2/P,Math.SQRT2,I));(t.geo.mollweide=function(){return D(j)}).raw=j,g.invert=function(t,e){var r,n=e,i=25;do{var o=n*n,a=o*o;n-=r=(n*(1.007226+o*(.015085+a*(-.044475+.028874*o-.005916*a)))-e)/(1.007226+o*(.045255+a*(-0.311325+.259866*o-.005916*11*a)))}while(Math.abs(r)>L&&--i>0);return[t/(.8707+(o=n*n)*(-.131979+o*(-.013791+o*o*o*(.003971-.001529*o)))),n]},(t.geo.naturalEarth=function(){return D(g)}).raw=g;var N=[[.9986,-.062],[1,0],[.9986,.062],[.9954,.124],[.99,.186],[.9822,.248],[.973,.31],[.96,.372],[.9427,.434],[.9216,.4958],[.8962,.5571],[.8679,.6176],[.835,.6769],[.7986,.7346],[.7597,.7903],[.7186,.8435],[.6732,.8936],[.6213,.9394],[.5722,.9761],[.5322,1]];N.forEach(function(t){t[1]*=1.0144}),y.invert=function(t,e){var r=e/P,n=90*r,i=Math.min(18,Math.abs(n/5)),o=Math.max(0,Math.floor(i));do{var a=N[o][1],s=N[o+1][1],l=N[Math.min(19,o+2)][1],u=l-a,c=l-2*s+a,h=2*(Math.abs(r)-s)/u,f=c/u,d=h*(1-f*h*(1-2*f*h));if(d>=0||1===o){n=(e>=0?5:-5)*(d+i);var p,v=50;do i=Math.min(18,Math.abs(n)/5),o=Math.floor(i),d=i-o,a=N[o][1],s=N[o+1][1],l=N[Math.min(19,o+2)][1],n-=(p=(e>=0?P:-P)*(s+d*(l-a)/2+d*d*(l-2*s+a)/2)-e)*R;while(Math.abs(p)>z&&--v>0);break}}while(--o>=0);var m=N[o][0],g=N[o+1][0],y=N[Math.min(19,o+2)][0];return[t/(g+d*(y-m)/2+d*d*(y-2*g+m)/2),n*C]},(t.geo.robinson=function(){return D(y)}).raw=y,b.invert=function(t,e){return[t/Math.cos(e),e]},(t.geo.sinusoidal=function(){return D(b)}).raw=b,x.invert=function(t,e){if(!(t*t+4*e*e>I*I+L)){var r=t,n=e,i=25;do{var o,a=Math.sin(r),s=Math.sin(r/2),u=Math.cos(r/2),c=Math.sin(n),h=Math.cos(n),f=Math.sin(2*n),d=c*c,p=h*h,v=s*s,m=1-p*u*u,g=m?l(h*u)*Math.sqrt(o=1/m):o=0,y=2*g*h*s-t,b=g*c-e,x=o*(p*v+g*h*u*d),_=o*(.5*a*f-2*g*c*s),w=.25*o*(f*s-g*c*p*a),M=o*(d*u+g*v*h),k=_*w-M*x;if(!k)break;var A=(b*_-y*M)/k,T=(y*w-b*x)/k;r-=A,n-=T}while((Math.abs(A)>L||Math.abs(T)>L)&&--i>0);return[r,n]}},(t.geo.aitoff=function(){return D(x)}).raw=x,_.invert=function(t,e){var r=t,n=e,i=25;do{var o,a=Math.cos(n),s=Math.sin(n),u=Math.sin(2*n),c=s*s,h=a*a,f=Math.sin(r),d=Math.cos(r/2),p=Math.sin(r/2),v=p*p,m=1-h*d*d,g=m?l(a*d)*Math.sqrt(o=1/m):o=0,y=.5*(2*g*a*p+r/P)-t,b=.5*(g*s+n)-e,x=.5*o*(h*v+g*a*d*c)+.5/P,_=o*(f*u/4-g*s*p),w=.125*o*(u*p-g*s*h*f),M=.5*o*(c*d+g*v*a)+.5,k=_*w-M*x,A=(b*_-y*M)/k,T=(y*w-b*x)/k;r-=A,n-=T}while((Math.abs(A)>L||Math.abs(T)>L)&&--i>0);return[r,n]},(t.geo.winkel3=function(){return D(_)}).raw=_}e.exports=n},{}],620:[function(t,e,r){\"use strict\";function n(t,e){var r=t.projection,n=t.lonaxis,a=t.lataxis,l=t.domain,u=t.framewidth||0,c=e.w*(l.x[1]-l.x[0]),h=e.h*(l.y[1]-l.y[0]),f=n.range[0]+s,d=n.range[1]-s,p=a.range[0]+s,v=a.range[1]-s,m=n._fullRange[0]+s,g=n._fullRange[1]-s,y=a._fullRange[0]+s,b=a._fullRange[1]-s;r._translate0=[e.l+c/2,e.t+h/2];var x=d-f,_=v-p,w=[f+x/2,p+_/2],M=r._rotate;r._center=[w[0]+M[0],w[1]+M[1]];var k=function(e){function n(t){return Math.min(_*c/(t[1][0]-t[0][0]),_*h/(t[1][1]-t[0][1]))}var a,s,l,x,_=e.scale(),w=r._translate0,M=i(f,p,d,v),k=i(m,y,g,b);l=o(e,M),a=n(l),x=o(e,k),r._fullScale=n(x),e.scale(a),l=o(e,M),s=[w[0]-l[0][0]+u,w[1]-l[0][1]+u],r._translate=s,e.translate(s),l=o(e,M),t._isAlbersUsa||e.clipExtent(l),a=r.scale*a,r._scale=a,t._width=Math.round(l[1][0])+u,t._height=Math.round(l[1][1])+u,t._marginX=(c-Math.round(l[1][0]))/2,t._marginY=(h-Math.round(l[1][1]))/2};return k}function i(t,e,r,n){var i=(r-t)/4;return{type:\"Polygon\",coordinates:[[[t,e],[t,n],[t+i,n],[t+2*i,n],[t+3*i,n],[r,n],[r,e],[r-i,e],[r-2*i,e],[r-3*i,e],[t,e]]]}}function o(t,e){return a.geo.path().projection(t).bounds(e)}var a=t(\"d3\"),s=t(\"./constants\").clipPad;e.exports=n},{\"./constants\":611,d3:119}],621:[function(t,e,r){\"use strict\";function n(t,e){var r;return(r=e._isScoped?o:e._clipAngle?s:a)(t,e.projection)}function i(t,e){var r=e._fullScale;return _.behavior.zoom().translate(t.translate()).scale(t.scale()).scaleExtent([.5*r,100*r])}function o(t,e){function r(){_.select(this).style(k)}function n(){a.scale(_.event.scale).translate(_.event.translate),t.render()}function o(){_.select(this).style(A)}var a=t.projection,s=i(a,e);return s.on(\"zoomstart\",r).on(\"zoom\",n).on(\"zoomend\",o),s}function a(t,e){function r(t){return m.invert(t)}function n(t){var e=m(r(t));return Math.abs(e[0]-t[0])>y||Math.abs(e[1]-t[1])>y}function o(){_.select(this).style(k),l=_.mouse(this),u=m.rotate(),c=m.translate(),h=u,f=r(l)}function a(){return d=_.mouse(this),n(l)?(g.scale(m.scale()),void g.translate(m.translate())):(m.scale(_.event.scale),m.translate([c[0],_.event.translate[1]]),f?r(d)&&(v=r(d),p=[h[0]+(v[0]-f[0]),u[1],u[2]],m.rotate(p),h=p):(l=d,f=r(l)),void t.render())}function s(){_.select(this).style(A)}var l,u,c,h,f,d,p,v,m=t.projection,g=i(m,e),y=2;return g.on(\"zoomstart\",o).on(\"zoom\",a).on(\"zoomend\",s),g}function s(t,e){function r(t){g++||t({type:\"zoomstart\"})}function n(t){t({type:\"zoom\"})}function o(t){--g||t({type:\"zoomend\"})}var a,s=t.projection,d={r:s.rotate(),k:s.scale()},p=i(s,e),v=x(p,\"zoomstart\",\"zoom\",\"zoomend\"),g=0,y=p.on;return p.on(\"zoomstart\",function(){_.select(this).style(k);var t=_.mouse(this),e=s.rotate(),i=e,o=s.translate(),g=u(e);a=l(s,t),y.call(p,\"zoom\",function(){var r=_.mouse(this);if(s.scale(d.k=_.event.scale),a){if(l(s,r)){s.rotate(e).translate(o);var u=l(s,r),p=h(a,u),y=m(c(g,p)),b=d.r=f(y,a,i);isFinite(b[0])&&isFinite(b[1])&&isFinite(b[2])||(b=i),s.rotate(b),i=b}}else t=r,a=l(s,t);n(v.of(this,arguments))}),r(v.of(this,arguments))}).on(\"zoomend\",function(){_.select(this).style(A),y.call(p,\"zoom\",null),o(v.of(this,arguments))}).on(\"zoom.redraw\",function(){t.render()}),_.rebind(p,v,\"on\")}function l(t,e){var r=t.invert(e);return r&&isFinite(r[0])&&isFinite(r[1])&&g(r)}function u(t){var e=.5*t[0]*w,r=.5*t[1]*w,n=.5*t[2]*w,i=Math.sin(e),o=Math.cos(e),a=Math.sin(r),s=Math.cos(r),l=Math.sin(n),u=Math.cos(n);return[o*s*u+i*a*l,i*s*u-o*a*l,o*a*u+i*s*l,o*s*l-i*a*u]}function c(t,e){var r=t[0],n=t[1],i=t[2],o=t[3],a=e[0],s=e[1],l=e[2],u=e[3];return[r*a-n*s-i*l-o*u,r*s+n*a+i*u-o*l,r*l-n*u+i*a+o*s,r*u+n*l-i*s+o*a]}function h(t,e){if(t&&e){var r=b(t,e),n=Math.sqrt(y(r,r)),i=.5*Math.acos(Math.max(-1,Math.min(1,y(t,e)))),o=Math.sin(i)/n;return n&&[Math.cos(i),r[2]*o,-r[1]*o,r[0]*o]}}function f(t,e,r){var n=v(e,2,t[0]);n=v(n,1,t[1]),n=v(n,0,t[2]-r[2]);var i,o,a=e[0],s=e[1],l=e[2],u=n[0],c=n[1],h=n[2],f=Math.atan2(s,a)*M,p=Math.sqrt(a*a+s*s);Math.abs(c)>p?(o=(c>0?90:-90)-f,i=0):(o=Math.asin(c/p)*M-f,i=Math.sqrt(p*p-c*c));var m=180-o-2*f,g=(Math.atan2(h,u)-Math.atan2(l,i))*M,y=(Math.atan2(h,u)-Math.atan2(l,-i))*M,b=d(r[0],r[1],o,g),x=d(r[0],r[1],m,y);return x>=b?[o,g,r[2]]:[m,y,r[2]]}function d(t,e,r,n){var i=p(r-t),o=p(n-e);return Math.sqrt(i*i+o*o)}function p(t){return(t%360+540)%360-180}function v(t,e,r){var n=r*w,i=t.slice(),o=0===e?1:0,a=2===e?1:2,s=Math.cos(n),l=Math.sin(n);return i[o]=t[o]*s-t[a]*l,i[a]=t[a]*s+t[o]*l,i}function m(t){return[Math.atan2(2*(t[0]*t[1]+t[2]*t[3]),1-2*(t[1]*t[1]+t[2]*t[2]))*M,Math.asin(Math.max(-1,Math.min(1,2*(t[0]*t[2]-t[3]*t[1]))))*M,Math.atan2(2*(t[0]*t[3]+t[1]*t[2]),1-2*(t[2]*t[2]+t[3]*t[3]))*M]}function g(t){var e=t[0]*w,r=t[1]*w,n=Math.cos(r);return[n*Math.cos(e),n*Math.sin(e),Math.sin(r)]}function y(t,e){for(var r=0,n=0,i=t.length;i>n;++n)r+=t[n]*e[n];return r}function b(t,e){return[t[1]*e[2]-t[2]*e[1],t[2]*e[0]-t[0]*e[2],t[0]*e[1]-t[1]*e[0]]}function x(t){for(var e=0,r=arguments.length,n=[];++e<r;)n.push(arguments[e]);var i=_.dispatch.apply(null,n);return i.of=function(e,r){return function(n){var o;try{o=n.sourceEvent=_.event,n.target=t,_.event=n,i[n.type].apply(e,r)}finally{_.event=o}}},i}var _=t(\"d3\"),w=Math.PI/180,M=180/Math.PI,k={cursor:\"pointer\"},A={cursor:\"auto\"};e.exports=n},{d3:119}],622:[function(t,e,r){\"use strict\";function n(t,e){var r=t.projection,n=t.zoom,o=function(){t.makeProjection(e),t.makePath(),n.scale(r.scale()),n.translate(r.translate()),i.loneUnhover(t.hoverContainer),t.render()};return o}var i=t(\"../cartesian/graph_interact\");e.exports=n},{\"../cartesian/graph_interact\":599}],623:[function(t,e,r){\"use strict\";function n(t,e){this.element=t,this.plot=e,this.mouseListener=null,this.wheelListener=null,this.lastInputTime=Date.now(),this.lastPos=[0,0],this.boxEnabled=!1,this.boxStart=[0,0],this.boxEnd=[0,0]}function i(t){var e=t.mouseContainer,r=t.glplot,i=new n(e,r);return i.mouseListener=o(e,function(e,n,o){function a(e,r,n){var o=Math.min(r,n),a=Math.max(r,n);o!==a?(e[0]=o,e[1]=a,i.dataBox=e):(t.selectBox.selectBox=[0,0,1,1],t.glplot.setDirty())}var s=t.xaxis.range,l=t.yaxis.range,u=r.viewBox,c=i.lastPos[0],h=i.lastPos[1];switch(n*=r.pixelRatio,o*=r.pixelRatio,o=u[3]-u[1]-o,t.fullLayout.dragmode){case\"zoom\":if(e){var f=n/(u[2]-u[0])*(s[1]-s[0])+s[0],d=o/(u[3]-u[1])*(l[1]-l[0])+l[0];i.boxEnabled||(i.boxStart[0]=f,i.boxStart[1]=d),i.boxEnd[0]=f,i.boxEnd[1]=d,i.boxEnabled=!0}else i.boxEnabled&&(a(s,i.boxStart[0],i.boxEnd[0]),a(l,i.boxStart[1],i.boxEnd[1]),i.boxEnabled=!1);break;case\"pan\":if(i.boxEnabled=!1,e){var p=(c-n)*(s[1]-s[0])/(r.viewBox[2]-r.viewBox[0]),v=(h-o)*(l[1]-l[0])/(r.viewBox[3]-r.viewBox[1]);s[0]+=p,s[1]+=p,l[0]+=v,l[1]+=v,i.lastInputTime=Date.now(),t.cameraChanged()}}i.lastPos[0]=n,i.lastPos[1]=o}),i.wheelListener=a(e,function(e,n){var o=t.xaxis.range,a=t.yaxis.range,s=r.viewBox,l=i.lastPos[0],u=i.lastPos[1];switch(t.fullLayout.dragmode){case\"zoom\":break;case\"pan\":var c=Math.exp(.1*n/(s[3]-s[1])),h=l/(s[2]-s[0])*(o[1]-o[0])+o[0],f=u/(s[3]-s[1])*(a[1]-a[0])+a[0];o[0]=(o[0]-h)*c+h,o[1]=(o[1]-h)*c+h,a[0]=(a[0]-f)*c+f,a[1]=(a[1]-f)*c+f,i.lastInputTime=Date.now(),t.cameraChanged()}return!0}),i}var o=t(\"mouse-change\"),a=t(\"mouse-wheel\");e.exports=i},{\"mouse-change\":421,\"mouse-wheel\":425}],624:[function(t,e,r){\"use strict\";function n(t){this.scene=t,this.gl=t.gl,this.pixelRatio=t.pixelRatio,this.screenBox=[0,0,1,1],this.viewBox=[0,0,1,1],this.dataBox=[-1,-1,1,1],this.borderLineEnable=[!1,!1,!1,!1],this.borderLineWidth=[1,1,1,1],this.borderLineColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.ticks=[[],[]],this.tickEnable=[!0,!0,!1,!1],this.tickPad=[15,15,15,15],this.tickAngle=[0,0,0,0],this.tickColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.tickMarkLength=[0,0,0,0],this.tickMarkWidth=[0,0,0,0],this.tickMarkColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.labels=[\"x\",\"y\"],this.labelEnable=[!0,!0,!1,!1],this.labelAngle=[0,Math.PI/2,0,3*Math.PI/2],this.labelPad=[15,15,15,15],this.labelSize=[12,12],this.labelFont=[\"sans-serif\",\"sans-serif\"],this.labelColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.title=\"\",this.titleEnable=!0,this.titleCenter=[0,0,0,0],this.titleAngle=0,this.titleColor=[0,0,0,1],this.titleFont=\"sans-serif\",this.titleSize=18,this.gridLineEnable=[!0,!0],this.gridLineColor=[[0,0,0,.5],[0,0,0,.5]],this.gridLineWidth=[1,1],this.zeroLineEnable=[!0,!0],this.zeroLineWidth=[1,1],this.zeroLineColor=[[0,0,0,1],[0,0,0,1]],this.borderColor=[0,0,0,0],this.backgroundColor=[0,0,0,0]}function i(t){return new n(t)}var o=t(\"../../plotly\"),a=t(\"../../lib/html2unicode\"),s=t(\"../../lib/str2rgbarray\"),l=n.prototype,u=[\"xaxis\",\"yaxis\"];l.merge=function(t){this.titleEnable=!1,this.backgroundColor=s(t.plot_bgcolor);var e,r,n,i,o,l,c,h,f,d,p;for(d=0;2>d;++d){for(e=u[d],r=t[this.scene[e]._name],n=/Click to enter .+ title/.test(r.title)?\"\":r.title,p=0;2>=p;p+=2)this.labelEnable[d+p]=!1,this.labels[d+p]=a(n),this.labelColor[d+p]=s(r.titlefont.color),this.labelFont[d+p]=r.titlefont.family,this.labelSize[d+p]=r.titlefont.size,this.labelPad[d+p]=this.getLabelPad(e,r),this.tickEnable[d+p]=!1,this.tickColor[d+p]=s((r.tickfont||{}).color),this.tickAngle[d+p]=\"auto\"===r.tickangle?0:Math.PI*-r.tickangle/180,this.tickPad[d+p]=this.getTickPad(r),this.tickMarkLength[d+p]=0,this.tickMarkWidth[d+p]=r.tickwidth||0,this.tickMarkColor[d+p]=s(r.tickcolor),this.borderLineEnable[d+p]=!1,this.borderLineColor[d+p]=s(r.linecolor),this.borderLineWidth[d+p]=r.linewidth||0;c=this.hasSharedAxis(r),o=this.hasAxisInDfltPos(e,r)&&!c,l=this.hasAxisInAltrPos(e,r)&&!c,i=r.mirror||!1,h=c?-1!==String(i).indexOf(\"all\"):!!i,f=c?\"allticks\"===i:-1!==String(i).indexOf(\"ticks\"),o?this.labelEnable[d]=!0:l&&(this.labelEnable[d+2]=!0),o?this.tickEnable[d]=r.showticklabels:l&&(this.tickEnable[d+2]=r.showticklabels),(o||h)&&(this.borderLineEnable[d]=r.showline),(l||h)&&(this.borderLineEnable[d+2]=r.showline),(o||f)&&(this.tickMarkLength[d]=this.getTickMarkLength(r)),(l||f)&&(this.tickMarkLength[d+2]=this.getTickMarkLength(r)),this.gridLineEnable[d]=r.showgrid,this.gridLineColor[d]=s(r.gridcolor),this.gridLineWidth[d]=r.gridwidth,this.zeroLineEnable[d]=r.zeroline,this.zeroLineColor[d]=s(r.zerolinecolor),this.zeroLineWidth[d]=r.zerolinewidth}},l.hasSharedAxis=function(t){var e=this.scene,r=o.Plots.getSubplotIds(e.fullLayout,\"gl2d\"),n=o.Axes.findSubplotsWithAxis(r,t);return 0!==n.indexOf(e.id)},l.hasAxisInDfltPos=function(t,e){var r=e.side;return\"xaxis\"===t?\"bottom\"===r:\"yaxis\"===t?\"left\"===r:void 0},l.hasAxisInAltrPos=function(t,e){var r=e.side;return\"xaxis\"===t?\"top\"===r:\"yaxis\"===t?\"right\"===r:void 0},l.getLabelPad=function(t,e){var r=1.5,n=e.titlefont.size,i=e.showticklabels;return\"xaxis\"===t?\"top\"===e.side?-10+n*(r+(i?1:0)):-10+n*(r+(i?.5:0)):\"yaxis\"===t?\"right\"===e.side?10+n*(r+(i?1:.5)):10+n*(r+(i?.5:0)):void 0},l.getTickPad=function(t){return\"outside\"===t.ticks?10+t.ticklen:15},l.getTickMarkLength=function(t){if(!t.ticks)return 0;var e=t.ticklen;return\"inside\"===t.ticks?-e:e},e.exports=i},{\"../../lib/html2unicode\":567,\"../../lib/str2rgbarray\":580,\"../../plotly\":589}],625:[function(t,e,r){\"use strict\";var n=t(\"./scene2d\"),i=t(\"../plots\"),o=t(\"../../constants/xmlns_namespaces\");r.name=\"gl2d\",r.attr=[\"xaxis\",\"yaxis\"],r.idRoot=[\"x\",\"y\"],r.idRegex={x:/^x([2-9]|[1-9][0-9]+)?$/,y:/^y([2-9]|[1-9][0-9]+)?$/},r.attrRegex={x:/^xaxis([2-9]|[1-9][0-9]+)?$/,y:/^yaxis([2-9]|[1-9][0-9]+)?$/},r.attributes=t(\"../cartesian/attributes\"),r.plot=function(t){for(var e=t._fullLayout,r=t._fullData,o=i.getSubplotIds(e,\"gl2d\"),a=0;a<o.length;a++){var s=o[a],l=e._plots[s],u=i.getSubplotData(r,\"gl2d\",s),c=l._scene2d;void 0===c&&(c=new n({id:s,graphDiv:t,container:t.querySelector(\".gl-container\"),staticPlot:t._context.staticPlot,plotGlPixelRatio:t._context.plotGlPixelRatio},e),l._scene2d=c),c.plot(u,t.calcdata,e,t.layout)}},r.clean=function(t,e,r,n){for(var o=i.getSubplotIds(n,\"gl2d\"),a=0;a<o.length;a++){var s=o[a],l=n._plots[s];if(l._scene2d){var u=i.getSubplotData(t,\"gl2d\",s);0===u.length&&(l._scene2d.destroy(),delete n._plots[s])}}},r.toSVG=function(t){for(var e=t._fullLayout,r=i.getSubplotIds(e,\"gl2d\"),n=0;n<r.length;n++){var a=e._plots[r[n]],s=a._scene2d,l=s.toImage(\"png\"),u=e._glimages.append(\"svg:image\");u.attr({xmlns:o.svg,\"xlink:href\":l,x:0,y:0,width:\"100%\",height:\"100%\",preserveAspectRatio:\"none\"}),s.destroy()}}},{\"../../constants/xmlns_namespaces\":556,\"../cartesian/attributes\":591,\"../plots\":648,\"./scene2d\":626}],626:[function(t,e,r){\"use strict\";function n(t,e){this.container=t.container,this.graphDiv=t.graphDiv,this.pixelRatio=t.plotGlPixelRatio||window.devicePixelRatio,this.id=t.id,this.staticPlot=!!t.staticPlot,this.fullLayout=e,this.updateAxes(e),this.makeFramework(),this.glplotOptions=f(this),this.glplotOptions.merge(e),this.glplot=u(this.glplotOptions),this.camera=d(this),this.traces={},this.spikes=c(this.glplot),this.selectBox=h(this.glplot,{innerFill:!1,outerFill:!0}),this.pickResult=null,this.bounds=[1/0,1/0,-(1/0),-(1/0)],this.stopped=!1,this.redraw=this.draw.bind(this),this.redraw()}function i(t,e){for(var r=0;2>r;++r){var n=t[r],i=e[r];if(n.length!==i.length)return!0;for(var o=0;o<n.length;++o)if(n[o].x!==i[o].x)return!0}return!1}var o,a,s=t(\"../../plots/cartesian/axes\"),l=t(\"../../plots/cartesian/graph_interact\"),u=t(\"gl-plot2d\"),c=t(\"gl-spikes2d\"),h=t(\"gl-select-box\"),f=t(\"./convert\"),d=t(\"./camera\"),p=t(\"../../lib/html2unicode\"),v=t(\"../../lib/show_no_webgl_msg\"),m=[\"xaxis\",\"yaxis\"];e.exports=n;var g=n.prototype;g.makeFramework=function(){\nif(this.staticPlot){if(!a){o=document.createElement(\"canvas\");try{a=o.getContext(\"webgl\",{preserveDrawingBuffer:!0,premultipliedAlpha:!0,antialias:!0})}catch(t){throw new Error([\"Error creating static canvas/context for image server\"].join(\" \"))}}this.canvas=o,this.gl=a}else{var e,r=document.createElement(\"canvas\"),n={premultipliedAlpha:!0};try{e=r.getContext(\"webgl\",n)}catch(t){}if(!e)try{e=r.getContext(\"experimental-webgl\",n)}catch(t){}e||v(this),this.canvas=r,this.gl=e}var i=this.canvas,s=this.pixelRatio,l=this.fullLayout;i.width=0|Math.ceil(s*l.width),i.height=0|Math.ceil(s*l.height),i.style.width=\"100%\",i.style.height=\"100%\",i.style.position=\"absolute\",i.style.top=\"0px\",i.style.left=\"0px\",i.style[\"pointer-events\"]=\"none\";var u=this.svgContainer=document.createElementNS(\"http://www.w3.org/2000/svg\",\"svg\");u.style.position=\"absolute\",u.style.top=u.style.left=\"0px\",u.style.width=u.style.height=\"100%\",u.style[\"z-index\"]=20,u.style[\"pointer-events\"]=\"none\";var c=this.mouseContainer=document.createElement(\"div\");c.style.position=\"absolute\";var h=this.container;h.appendChild(i),h.appendChild(u),h.appendChild(c)},g.toImage=function(t){t||(t=\"png\"),this.stopped=!0,this.staticPlot&&this.container.appendChild(o),this.glplot.setDirty(),this.glplot.draw();var e=this.glplot.gl,r=e.drawingBufferWidth,n=e.drawingBufferHeight;e.bindFramebuffer(e.FRAMEBUFFER,null);var i=new Uint8Array(r*n*4);e.readPixels(0,0,r,n,e.RGBA,e.UNSIGNED_BYTE,i);for(var a=0,s=n-1;s>a;++a,--s)for(var l=0;r>l;++l)for(var u=0;4>u;++u){var c=i[4*(r*a+l)+u];i[4*(r*a+l)+u]=i[4*(r*s+l)+u],i[4*(r*s+l)+u]=c}var h=document.createElement(\"canvas\");h.width=r,h.height=n;var f=h.getContext(\"2d\"),d=f.createImageData(r,n);d.data.set(i),f.putImageData(d,0,0);var p;switch(t){case\"jpeg\":p=h.toDataURL(\"image/jpeg\");break;case\"webp\":p=h.toDataURL(\"image/webp\");break;default:p=h.toDataURL(\"image/png\")}return this.staticPlot&&this.container.removeChild(o),p},g.computeTickMarks=function(){this.xaxis._length=this.glplot.viewBox[2]-this.glplot.viewBox[0],this.yaxis._length=this.glplot.viewBox[3]-this.glplot.viewBox[1];for(var t=[s.calcTicks(this.xaxis),s.calcTicks(this.yaxis)],e=0;2>e;++e)for(var r=0;r<t[e].length;++r)t[e][r].text=p(t[e][r].text+\"\").replace(/\\n/g,\" \");return t},g.updateAxes=function(t){var e=s.subplotMatch,r=\"xaxis\"+this.id.match(e)[1],n=\"yaxis\"+this.id.match(e)[2];this.xaxis=t[r],this.yaxis=t[n]},g.updateFx=function(t){var e=this.fullLayout;e.dragmode=t.dragmode,e.hovermode=t.hovermode};var y=function(t){var e=t.xaxis.range,r=t.yaxis.range;t.graphDiv.layout.xaxis.range=e.slice(0),t.graphDiv.layout.yaxis.range=r.slice(0);var n={lastInputTime:t.camera.lastInputTime};n[t.xaxis._name]=e.slice(),n[t.yaxis._name]=r.slice(),t.graphDiv.emit(\"plotly_relayout\",n)};g.cameraChanged=function(){var t=this.camera,e=this.xaxis.range,r=this.yaxis.range;this.glplot.setDataBox([e[0],r[0],e[1],r[1]]);var n=this.computeTickMarks(),o=this.glplotOptions.ticks;i(n,o)&&(this.glplotOptions.ticks=n,this.glplotOptions.dataBox=t.dataBox,this.glplot.update(this.glplotOptions),y(this))},g.destroy=function(){var t=this.traces;t&&Object.keys(t).map(function(e){t[e].dispose(),delete t[e]}),this.glplot.dispose(),this.staticPlot||this.container.removeChild(this.canvas),this.container.removeChild(this.svgContainer),this.container.removeChild(this.mouseContainer),this.glplot=null,this.stopped=!0},g.plot=function(t,e,r){var n,i,o,a=this.glplot,l=this.pixelRatio;this.fullLayout=r,this.updateAxes(r);var u=r.width,c=r.height,h=0|Math.ceil(l*u),f=0|Math.ceil(l*c),d=this.canvas;for(d.width===h&&d.height===f||(d.width=h,d.height=f),n=0;n<t.length;++n){var p=t[n],v=e[n];o=this.traces[p.uid],o?o.update(p,v):o=p._module.plot(this,p,v),this.traces[p.uid]=o}var g=Object.keys(this.traces);t:for(n=0;n<g.length;++n){for(i=0;i<e.length;++i)if(e[i][0].trace.uid===g[n])continue t;o=this.traces[g[n]],o.dispose(),delete this.traces[g[n]]}var y=this.glplotOptions;y.merge(r),y.screenBox=[0,0,u,c];var b=r._size,x=this.xaxis.domain,_=this.yaxis.domain;y.viewBox=[b.l+x[0]*b.w,b.b+_[0]*b.h,u-b.r-(1-x[1])*b.w,c-b.t-(1-_[1])*b.h],this.mouseContainer.style.width=b.w*(x[1]-x[0])+\"px\",this.mouseContainer.style.height=b.h*(_[1]-_[0])+\"px\",this.mouseContainer.height=b.h*(_[1]-_[0]),this.mouseContainer.style.left=b.l+x[0]*b.w+\"px\",this.mouseContainer.style.top=b.t+(1-_[1])*b.h+\"px\";var w=this.bounds;for(w[0]=w[1]=1/0,w[2]=w[3]=-(1/0),g=Object.keys(this.traces),n=0;n<g.length;++n){o=this.traces[g[n]];for(var M=0;2>M;++M)w[M]=Math.min(w[M],o.bounds[M]),w[M+2]=Math.max(w[M+2],o.bounds[M+2])}var k;for(n=0;2>n;++n)w[n]>w[n+2]&&(w[n]=-1,w[n+2]=1),k=this[m[n]],k._length=y.viewBox[n+2]-y.viewBox[n],s.doAutoRange(k);y.ticks=this.computeTickMarks();var A=this.xaxis.range,T=this.yaxis.range;y.dataBox=[A[0],T[0],A[1],T[1]],y.merge(r),a.update(y),this.glplot.draw()},g.draw=function(){if(!this.stopped){requestAnimationFrame(this.redraw);var t=this.glplot,e=this.camera,r=e.mouseListener,n=this.fullLayout;this.cameraChanged();var i=r.x*t.pixelRatio,o=this.canvas.height-t.pixelRatio*r.y;if(e.boxEnabled&&\"zoom\"===n.dragmode)this.selectBox.enabled=!0,this.selectBox.selectBox=[Math.min(e.boxStart[0],e.boxEnd[0]),Math.min(e.boxStart[1],e.boxEnd[1]),Math.max(e.boxStart[0],e.boxEnd[0]),Math.max(e.boxStart[1],e.boxEnd[1])],t.setDirty();else{this.selectBox.enabled=!1;var a=n._size,s=this.xaxis.domain,u=this.yaxis.domain,c=t.pick(i/t.pixelRatio+a.l+s[0]*a.w,o/t.pixelRatio-(a.t+(1-u[1])*a.h));if(c&&n.hovermode){var h=c.object._trace.handlePick(c);if(h&&(!this.lastPickResult||this.lastPickResult.traceUid!==h.trace.uid||this.lastPickResult.dataCoord[0]!==h.dataCoord[0]||this.lastPickResult.dataCoord[1]!==h.dataCoord[1])){var f=h;this.lastPickResult={traceUid:h.trace?h.trace.uid:null,dataCoord:h.dataCoord.slice()},this.spikes.update({center:c.dataCoord}),f.screenCoord=[((t.viewBox[2]-t.viewBox[0])*(c.dataCoord[0]-t.dataBox[0])/(t.dataBox[2]-t.dataBox[0])+t.viewBox[0])/t.pixelRatio,(this.canvas.height-(t.viewBox[3]-t.viewBox[1])*(c.dataCoord[1]-t.dataBox[1])/(t.dataBox[3]-t.dataBox[1])-t.viewBox[1])/t.pixelRatio];var d=f.hoverinfo;if(\"all\"!==d){var p=d.split(\"+\");-1===p.indexOf(\"x\")&&(f.traceCoord[0]=void 0),-1===p.indexOf(\"y\")&&(f.traceCoord[1]=void 0),-1===p.indexOf(\"z\")&&(f.traceCoord[2]=void 0),-1===p.indexOf(\"text\")&&(f.textLabel=void 0),-1===p.indexOf(\"name\")&&(f.name=void 0)}l.loneHover({x:f.screenCoord[0],y:f.screenCoord[1],xLabel:this.hoverFormatter(\"xaxis\",f.traceCoord[0]),yLabel:this.hoverFormatter(\"yaxis\",f.traceCoord[1]),zLabel:f.traceCoord[2],text:f.textLabel,name:f.name,color:f.color},{container:this.svgContainer})}}else!c&&this.lastPickResult&&(this.spikes.update({}),this.lastPickResult=null,l.loneUnhover(this.svgContainer))}t.draw()}},g.hoverFormatter=function(t,e){if(void 0!==e){var r=this[t];return s.tickText(r,r.c2l(e),\"hover\").text}}},{\"../../lib/html2unicode\":567,\"../../lib/show_no_webgl_msg\":578,\"../../plots/cartesian/axes\":592,\"../../plots/cartesian/graph_interact\":599,\"./camera\":623,\"./convert\":624,\"gl-plot2d\":171,\"gl-select-box\":201,\"gl-spikes2d\":221}],627:[function(t,e,r){\"use strict\";function n(t,e){t=t||document.body,e=e||{};var r=[.01,1/0];\"distanceLimits\"in e&&(r[0]=e.distanceLimits[0],r[1]=e.distanceLimits[1]),\"zoomMin\"in e&&(r[0]=e.zoomMin),\"zoomMax\"in e&&(r[1]=e.zoomMax);var n=o({center:e.center||[0,0,0],up:e.up||[0,1,0],eye:e.eye||[0,0,10],mode:e.mode||\"orbit\",distanceLimits:r}),l=[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0],u=0,c=t.clientWidth,h=t.clientHeight,f={keyBindingMode:\"rotate\",view:n,element:t,delay:e.delay||16,rotateSpeed:e.rotateSpeed||1,zoomSpeed:e.zoomSpeed||1,translateSpeed:e.translateSpeed||1,flipX:!!e.flipX,flipY:!!e.flipY,modes:n.modes,tick:function(){var e=i(),r=this.delay,o=e-2*r;n.idle(e-r),n.recalcMatrix(o),n.flush(e-(100+2*r));for(var a=!0,s=n.computedMatrix,f=0;16>f;++f)a=a&&l[f]===s[f],l[f]=s[f];var d=t.clientWidth===c&&t.clientHeight===h;return c=t.clientWidth,h=t.clientHeight,a?!d:(u=Math.exp(n.computedRadius[0]),!0)},lookAt:function(t,e,r){n.lookAt(n.lastT(),t,e,r)},rotate:function(t,e,r){n.rotate(n.lastT(),t,e,r)},pan:function(t,e,r){n.pan(n.lastT(),t,e,r)},translate:function(t,e,r){n.translate(n.lastT(),t,e,r)}};Object.defineProperties(f,{matrix:{get:function(){return n.computedMatrix},set:function(t){return n.setMatrix(n.lastT(),t),n.computedMatrix},enumerable:!0},mode:{get:function(){return n.getMode()},set:function(t){var e=n.computedUp.slice(),r=n.computedEye.slice(),o=n.computedCenter.slice();if(n.setMode(t),\"turntable\"===t){var a=i();n._active.lookAt(a,r,o,e),n._active.lookAt(a+500,r,o,[0,0,1]),n._active.flush(a)}return n.getMode()},enumerable:!0},center:{get:function(){return n.computedCenter},set:function(t){return n.lookAt(n.lastT(),null,t),n.computedCenter},enumerable:!0},eye:{get:function(){return n.computedEye},set:function(t){return n.lookAt(n.lastT(),t),n.computedEye},enumerable:!0},up:{get:function(){return n.computedUp},set:function(t){return n.lookAt(n.lastT(),null,null,t),n.computedUp},enumerable:!0},distance:{get:function(){return u},set:function(t){return n.setDistance(n.lastT(),t),t},enumerable:!0},distanceLimits:{get:function(){return n.getDistanceLimits(r)},set:function(t){return n.setDistanceLimits(t),t},enumerable:!0}}),t.addEventListener(\"contextmenu\",function(t){return t.preventDefault(),!1});var d=0,p=0;return a(t,function(e,r,o,a){var s=\"rotate\"===f.keyBindingMode,l=\"pan\"===f.keyBindingMode,c=\"zoom\"===f.keyBindingMode,h=!!a.control,v=!!a.alt,m=!!a.shift,g=!!(1&e),y=!!(2&e),b=!!(4&e),x=1/t.clientHeight,_=x*(r-d),w=x*(o-p),M=f.flipX?1:-1,k=f.flipY?1:-1,A=i(),T=Math.PI*f.rotateSpeed;if((s&&g&&!h&&!v&&!m||g&&!h&&!v&&m)&&n.rotate(A,M*T*_,-k*T*w,0),(l&&g&&!h&&!v&&!m||y||g&&h&&!v&&!m)&&n.pan(A,-f.translateSpeed*_*u,f.translateSpeed*w*u,0),c&&g&&!h&&!v&&!m||b||g&&!h&&v&&!m){var E=-f.zoomSpeed*w/window.innerHeight*(A-n.lastT())*100;n.pan(A,0,0,u*(Math.exp(E)-1))}return d=r,p=o,!0}),s(t,function(t,e){var r=f.flipX?1:-1,o=f.flipY?1:-1,a=i();if(Math.abs(t)>Math.abs(e))n.rotate(a,0,0,-t*r*Math.PI*f.rotateSpeed/window.innerWidth);else{var s=-f.zoomSpeed*o*e/window.innerHeight*(a-n.lastT())/100;n.pan(a,0,0,u*(Math.exp(s)-1))}},!0),f}e.exports=n;var i=t(\"right-now\"),o=t(\"3d-view\"),a=t(\"mouse-change\"),s=t(\"mouse-wheel\")},{\"3d-view\":40,\"mouse-change\":421,\"mouse-wheel\":425,\"right-now\":435}],628:[function(t,e,r){\"use strict\";function n(t,e){for(var r=0;3>r;++r){var n=s[r];e[n]._gd=t}}var i=t(\"./scene\"),o=t(\"../plots\"),a=t(\"../../constants/xmlns_namespaces\"),s=[\"xaxis\",\"yaxis\",\"zaxis\"];r.name=\"gl3d\",r.attr=\"scene\",r.idRoot=\"scene\",r.idRegex=/^scene([2-9]|[1-9][0-9]+)?$/,r.attrRegex=/^scene([2-9]|[1-9][0-9]+)?$/,r.attributes=t(\"./layout/attributes\"),r.layoutAttributes=t(\"./layout/layout_attributes\"),r.supplyLayoutDefaults=t(\"./layout/defaults\"),r.plot=function(t){var e=t._fullLayout,r=t._fullData,a=o.getSubplotIds(e,\"gl3d\");e._paperdiv.style({width:e.width+\"px\",height:e.height+\"px\"}),t._context.setBackground(t,e.paper_bgcolor);for(var s=0;s<a.length;s++){var l=a[s],u=o.getSubplotData(r,\"gl3d\",l),c=e[l],h=c._scene;void 0===h&&(n(t,c),h=new i({id:l,graphDiv:t,container:t.querySelector(\".gl-container\"),staticPlot:t._context.staticPlot,plotGlPixelRatio:t._context.plotGlPixelRatio},e),c._scene=h),h.plot(u,e,t.layout)}},r.clean=function(t,e,r,n){for(var i=o.getSubplotIds(n,\"gl3d\"),a=0;a<i.length;a++){var s=i[a];!e[s]&&n[s]._scene&&n[s]._scene.destroy()}},r.toSVG=function(t){for(var e=t._fullLayout,r=o.getSubplotIds(e,\"gl3d\"),n=e._size,i=0;i<r.length;i++){var s=e[r[i]],l=s.domain,u=s._scene,c=u.toImage(\"png\"),h=e._glimages.append(\"svg:image\");h.attr({xmlns:a.svg,\"xlink:href\":c,x:n.l+n.w*l.x[0],y:n.t+n.h*(1-l.y[1]),width:n.w*(l.x[1]-l.x[0]),height:n.h*(l.y[1]-l.y[0]),preserveAspectRatio:\"none\"}),u.destroy()}},r.cleanId=function(t){if(t.match(/^scene[0-9]*$/)){var e=t.substr(5);return\"1\"===e&&(e=\"\"),\"scene\"+e}},r.setConvert=t(\"./set_convert\")},{\"../../constants/xmlns_namespaces\":556,\"../plots\":648,\"./layout/attributes\":629,\"./layout/defaults\":633,\"./layout/layout_attributes\":634,\"./scene\":638,\"./set_convert\":639}],629:[function(t,e,r){\"use strict\";e.exports={scene:{valType:\"subplotid\",dflt:\"scene\"}}},{}],630:[function(t,e,r){\"use strict\";var n=t(\"../../../components/color\"),i=t(\"../../cartesian/layout_attributes\"),o=t(\"../../../lib/extend\").extendFlat;e.exports={showspikes:{valType:\"boolean\",dflt:!0},spikesides:{valType:\"boolean\",dflt:!0},spikethickness:{valType:\"number\",min:0,dflt:2},spikecolor:{valType:\"color\",dflt:n.defaultLine},showbackground:{valType:\"boolean\",dflt:!1},backgroundcolor:{valType:\"color\",dflt:\"rgba(204, 204, 204, 0.5)\"},showaxeslabels:{valType:\"boolean\",dflt:!0},color:i.color,categoryorder:i.categoryorder,categoryarray:i.categoryarray,title:i.title,titlefont:i.titlefont,type:i.type,autorange:i.autorange,rangemode:i.rangemode,range:i.range,fixedrange:i.fixedrange,tickmode:i.tickmode,nticks:i.nticks,tick0:i.tick0,dtick:i.dtick,tickvals:i.tickvals,ticktext:i.ticktext,ticks:i.ticks,mirror:i.mirror,ticklen:i.ticklen,tickwidth:i.tickwidth,tickcolor:i.tickcolor,showticklabels:i.showticklabels,tickfont:i.tickfont,tickangle:i.tickangle,tickprefix:i.tickprefix,showtickprefix:i.showtickprefix,ticksuffix:i.ticksuffix,showticksuffix:i.showticksuffix,showexponent:i.showexponent,exponentformat:i.exponentformat,tickformat:i.tickformat,hoverformat:i.hoverformat,showline:i.showline,linecolor:i.linecolor,linewidth:i.linewidth,showgrid:i.showgrid,gridcolor:o({},i.gridcolor,{dflt:\"rgb(204, 204, 204)\"}),gridwidth:i.gridwidth,zeroline:i.zeroline,zerolinecolor:i.zerolinecolor,zerolinewidth:i.zerolinewidth}},{\"../../../components/color\":483,\"../../../lib/extend\":563,\"../../cartesian/layout_attributes\":601}],631:[function(t,e,r){\"use strict\";var n=t(\"tinycolor2\").mix,i=t(\"../../../lib\"),o=t(\"./axis_attributes\"),a=t(\"../../cartesian/axis_defaults\"),s=[\"xaxis\",\"yaxis\",\"zaxis\"],l=function(){},u=13600/187;e.exports=function(t,e,r){function c(t,e){return i.coerce(h,f,o,t,e)}for(var h,f,d=0;d<s.length;d++){var p=s[d];h=t[p]||{},f={_id:p[0]+r.scene,_name:p},e[p]=f=a(h,f,c,{font:r.font,letter:p[0],data:r.data,showGrid:!0,bgColor:r.bgColor}),c(\"gridcolor\",n(f.color,r.bgColor,u).toRgbString()),c(\"title\",p[0]),f.setScale=l,c(\"showspikes\")&&(c(\"spikesides\"),c(\"spikethickness\"),c(\"spikecolor\",f.color)),c(\"showaxeslabels\"),c(\"showbackground\")&&c(\"backgroundcolor\")}}},{\"../../../lib\":568,\"../../cartesian/axis_defaults\":593,\"./axis_attributes\":630,tinycolor2:454}],632:[function(t,e,r){\"use strict\";function n(){this.bounds=[[-10,-10,-10],[10,10,10]],this.ticks=[[],[],[]],this.tickEnable=[!0,!0,!0],this.tickFont=[\"sans-serif\",\"sans-serif\",\"sans-serif\"],this.tickSize=[12,12,12],this.tickAngle=[0,0,0],this.tickColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.tickPad=[18,18,18],this.labels=[\"x\",\"y\",\"z\"],this.labelEnable=[!0,!0,!0],this.labelFont=[\"Open Sans\",\"Open Sans\",\"Open Sans\"],this.labelSize=[20,20,20],this.labelAngle=[0,0,0],this.labelColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.labelPad=[30,30,30],this.lineEnable=[!0,!0,!0],this.lineMirror=[!1,!1,!1],this.lineWidth=[1,1,1],this.lineColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.lineTickEnable=[!0,!0,!0],this.lineTickMirror=[!1,!1,!1],this.lineTickLength=[10,10,10],this.lineTickWidth=[1,1,1],this.lineTickColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.gridEnable=[!0,!0,!0],this.gridWidth=[1,1,1],this.gridColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.zeroEnable=[!0,!0,!0],this.zeroLineColor=[[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.zeroLineWidth=[2,2,2],this.backgroundEnable=[!0,!0,!0],this.backgroundColor=[[.8,.8,.8,.5],[.8,.8,.8,.5],[.8,.8,.8,.5]],this._defaultTickPad=l(this.tickPad),this._defaultLabelPad=l(this.labelPad),this._defaultLineTickLength=l(this.lineTickLength)}function i(t){var e=new n;return e.merge(t),e}var o=t(\"arraytools\"),a=t(\"../../../lib/html2unicode\"),s=t(\"../../../lib/str2rgbarray\"),l=o.copy1D,u=[\"xaxis\",\"yaxis\",\"zaxis\"],c=n.prototype;c.merge=function(t){for(var e=this,r=0;3>r;++r){var n=t[u[r]];e.labels[r]=a(n.title),\"titlefont\"in n&&(n.titlefont.color&&(e.labelColor[r]=s(n.titlefont.color)),n.titlefont.family&&(e.labelFont[r]=n.titlefont.family),n.titlefont.size&&(e.labelSize[r]=n.titlefont.size)),\"showline\"in n&&(e.lineEnable[r]=n.showline),\"linecolor\"in n&&(e.lineColor[r]=s(n.linecolor)),\"linewidth\"in n&&(e.lineWidth[r]=n.linewidth),\"showgrid\"in n&&(e.gridEnable[r]=n.showgrid),\"gridcolor\"in n&&(e.gridColor[r]=s(n.gridcolor)),\"gridwidth\"in n&&(e.gridWidth[r]=n.gridwidth),\"log\"===n.type?e.zeroEnable[r]=!1:\"zeroline\"in n&&(e.zeroEnable[r]=n.zeroline),\"zerolinecolor\"in n&&(e.zeroLineColor[r]=s(n.zerolinecolor)),\"zerolinewidth\"in n&&(e.zeroLineWidth[r]=n.zerolinewidth),\"ticks\"in n&&n.ticks?e.lineTickEnable[r]=!0:e.lineTickEnable[r]=!1,\"ticklen\"in n&&(e.lineTickLength[r]=e._defaultLineTickLength[r]=n.ticklen),\"tickcolor\"in n&&(e.lineTickColor[r]=s(n.tickcolor)),\"tickwidth\"in n&&(e.lineTickWidth[r]=n.tickwidth),\"tickangle\"in n&&(e.tickAngle[r]=\"auto\"===n.tickangle?0:Math.PI*-n.tickangle/180),\"showticklabels\"in n&&(e.tickEnable[r]=n.showticklabels),\"tickfont\"in n&&(n.tickfont.color&&(e.tickColor[r]=s(n.tickfont.color)),n.tickfont.family&&(e.tickFont[r]=n.tickfont.family),n.tickfont.size&&(e.tickSize[r]=n.tickfont.size)),\"mirror\"in n?-1!==[\"ticks\",\"all\",\"allticks\"].indexOf(n.mirror)?(e.lineTickMirror[r]=!0,e.lineMirror[r]=!0):n.mirror===!0?(e.lineTickMirror[r]=!1,e.lineMirror[r]=!0):(e.lineTickMirror[r]=!1,e.lineMirror[r]=!1):e.lineMirror[r]=!1,\"showbackground\"in n&&n.showbackground!==!1?(e.backgroundEnable[r]=!0,e.backgroundColor[r]=s(n.backgroundcolor)):e.backgroundEnable[r]=!1}},e.exports=i},{\"../../../lib/html2unicode\":567,\"../../../lib/str2rgbarray\":580,arraytools:50}],633:[function(t,e,r){\"use strict\";function n(t,e,r,n){for(var o=r(\"bgcolor\"),l=i.combine(o,n.paper_bgcolor),u=Object.keys(a.camera),c=0;c<u.length;c++)r(\"camera.\"+u[c]+\".x\"),r(\"camera.\"+u[c]+\".y\"),r(\"camera.\"+u[c]+\".z\");var h=!!r(\"aspectratio.x\")&&!!r(\"aspectratio.y\")&&!!r(\"aspectratio.z\"),f=h?\"manual\":\"auto\",d=r(\"aspectmode\",f);h||(t.aspectratio=e.aspectratio={x:1,y:1,z:1},\"manual\"===d&&(e.aspectmode=\"auto\")),s(t,e,{font:n.font,scene:n.id,data:n.fullData,bgColor:l}),r(\"dragmode\",n.getDfltFromLayout(\"dragmode\")),r(\"hovermode\",n.getDfltFromLayout(\"hovermode\"))}var i=t(\"../../../components/color\"),o=t(\"../../subplot_defaults\"),a=t(\"./layout_attributes\"),s=t(\"./axis_defaults\");e.exports=function(t,e,r){function i(e){if(!s){var r=-1!==a[e].values.indexOf(t[e]);return r?t[e]:void 0}}var s=e._has(\"cartesian\")||e._has(\"geo\")||e._has(\"gl2d\")||e._has(\"pie\")||e._has(\"ternary\");o(t,e,r,{type:\"gl3d\",attributes:a,handleDefaults:n,font:e.font,fullData:r,getDfltFromLayout:i,paper_bgcolor:e.paper_bgcolor})}},{\"../../../components/color\":483,\"../../subplot_defaults\":654,\"./axis_defaults\":631,\"./layout_attributes\":634}],634:[function(t,e,r){\"use strict\";function n(t,e,r){return{x:{valType:\"number\",dflt:t},y:{valType:\"number\",dflt:e},z:{valType:\"number\",dflt:r}}}var i=t(\"./axis_attributes\"),o=t(\"../../../lib/extend\").extendFlat;e.exports={bgcolor:{valType:\"color\",dflt:\"rgba(0,0,0,0)\"},camera:{up:o(n(0,0,1),{}),center:o(n(0,0,0),{}),eye:o(n(1.25,1.25,1.25),{})},domain:{x:{valType:\"info_array\",items:[{valType:\"number\",min:0,max:1},{valType:\"number\",min:0,max:1}],dflt:[0,1]},y:{valType:\"info_array\",items:[{valType:\"number\",min:0,max:1},{valType:\"number\",min:0,max:1}],dflt:[0,1]}},aspectmode:{valType:\"enumerated\",values:[\"auto\",\"cube\",\"data\",\"manual\"],dflt:\"auto\"},aspectratio:{x:{valType:\"number\",min:0},y:{valType:\"number\",min:0},z:{valType:\"number\",min:0}},xaxis:i,yaxis:i,zaxis:i,dragmode:{valType:\"enumerated\",values:[\"orbit\",\"turntable\",\"zoom\",\"pan\"],dflt:\"turntable\"},hovermode:{valType:\"enumerated\",values:[\"closest\",!1],dflt:\"closest\"},_deprecated:{cameraposition:{valType:\"info_array\"}}}},{\"../../../lib/extend\":563,\"./axis_attributes\":630}],635:[function(t,e,r){\"use strict\";function n(){this.enabled=[!0,!0,!0],this.colors=[[0,0,0,1],[0,0,0,1],[0,0,0,1]],this.drawSides=[!0,!0,!0],this.lineWidth=[1,1,1]}function i(t){var e=new n;return e.merge(t),e}var o=t(\"../../../lib/str2rgbarray\"),a=[\"xaxis\",\"yaxis\",\"zaxis\"],s=n.prototype;s.merge=function(t){for(var e=0;3>e;++e){var r=t[a[e]];this.enabled[e]=r.showspikes,this.colors[e]=o(r.spikecolor),this.drawSides[e]=r.spikesides,this.lineWidth[e]=r.spikethickness}},e.exports=i},{\"../../../lib/str2rgbarray\":580}],636:[function(t,e,r){\"use strict\";function n(t){for(var e=new Array(3),r=0;3>r;++r){for(var n=t[r],i=new Array(n.length),o=0;o<n.length;++o)i[o]=n[o].x;e[r]=i}return e}function i(t){for(var e=t.axesOptions,r=t.glplot.axesPixels,i=t.fullSceneLayout,u=[[],[],[]],c=0;3>c;++c){var h=i[s[c]];if(h._length=(r[c].hi-r[c].lo)*r[c].pixelsPerDataUnit/t.dataScale[c],Math.abs(h._length)===1/0)u[c]=[];else{h.range[0]=r[c].lo/t.dataScale[c],h.range[1]=r[c].hi/t.dataScale[c],h._m=1/(t.dataScale[c]*r[c].pixelsPerDataUnit),h.range[0]===h.range[1]&&(h.range[0]-=1,h.range[1]+=1);var f=h.tickmode;if(\"auto\"===h.tickmode){h.tickmode=\"linear\";var d=h.nticks||o.Lib.constrain(h._length/40,4,9);o.Axes.autoTicks(h,Math.abs(h.range[1]-h.range[0])/d)}for(var p=o.Axes.calcTicks(h),v=0;v<p.length;++v)p[v].x=p[v].x*t.dataScale[c],p[v].text=a(p[v].text);u[c]=p,h.tickmode=f}}e.ticks=u;for(var c=0;3>c;++c){l[c]=.5*(t.glplot.bounds[0][c]+t.glplot.bounds[1][c]);for(var v=0;2>v;++v)e.bounds[v][c]=t.glplot.bounds[v][c]}t.contourLevels=n(u)}e.exports=i;var o=t(\"../../../plotly\"),a=t(\"../../../lib/html2unicode\"),s=[\"xaxis\",\"yaxis\",\"zaxis\"],l=[0,0,0]},{\"../../../lib/html2unicode\":567,\"../../../plotly\":589}],637:[function(t,e,r){\"use strict\";function n(t,e){var r,n,i=[0,0,0,0];for(r=0;4>r;++r)for(n=0;4>n;++n)i[n]+=t[4*r+n]*e[r];return i}function i(t,e){var r=n(t.projection,n(t.view,n(t.model,[e[0],e[1],e[2],1])));return r}e.exports=i},{}],638:[function(t,e,r){\"use strict\";function n(t){function e(e,r){if(\"string\"==typeof r)return r;var n=t.fullSceneLayout[e];return v.tickText(n,n.c2l(r),\"hover\").text}var r,n=t.svgContainer,i=t.container.getBoundingClientRect(),o=i.width,a=i.height;n.setAttributeNS(null,\"viewBox\",\"0 0 \"+o+\" \"+a),n.setAttributeNS(null,\"width\",o),n.setAttributeNS(null,\"height\",a),k(t),t.glplot.axes.update(t.axesOptions);for(var s=Object.keys(t.traces),l=null,u=t.glplot.selection,c=0;c<s.length;++c)r=t.traces[s[c]],r.handlePick(u)&&(l=r),r.setContourLevels&&r.setContourLevels();var h;if(null!==l){var f=x(t.glplot.cameraParams,u.dataCoordinate);r=l.data;var d=r.hoverinfo,p=e(\"xaxis\",u.traceCoordinate[0]),g=e(\"yaxis\",u.traceCoordinate[1]),y=e(\"zaxis\",u.traceCoordinate[2]);if(\"all\"!==d){var b=d.split(\"+\");-1===b.indexOf(\"x\")&&(p=void 0),-1===b.indexOf(\"y\")&&(g=void 0),-1===b.indexOf(\"z\")&&(y=void 0),-1===b.indexOf(\"text\")&&(u.textLabel=void 0),-1===b.indexOf(\"name\")&&(l.name=void 0)}t.fullSceneLayout.hovermode&&m.loneHover({x:(.5+.5*f[0]/f[3])*o,y:(.5-.5*f[1]/f[3])*a,xLabel:p,yLabel:g,zLabel:y,text:u.textLabel,name:l.name,color:l.color},{container:n});var _={points:[{x:p,y:g,z:y,data:r._input,fullData:r,curveNumber:r.index,pointNumber:u.data.index}]};u.buttons&&u.distance<5?t.graphDiv.emit(\"plotly_click\",_):t.graphDiv.emit(\"plotly_hover\",_),h=_}else m.loneUnhover(n),t.graphDiv.emit(\"plotly_unhover\",h)}function i(t,e,r,i){var o={canvas:r,gl:i,container:t.container,axes:t.axesOptions,spikes:t.spikeOptions,pickRadius:10,snapToData:!0,autoScale:!0,autoBounds:!1};if(t.staticMode){if(!h){c=document.createElement(\"canvas\");try{h=c.getContext(\"webgl\",{preserveDrawingBuffer:!0,premultipliedAlpha:!0,antialias:!0})}catch(a){throw new Error(\"error creating static canvas/context for image server\")}}o.pixelRatio=t.pixelRatio,o.gl=h,o.canvas=c}try{t.glplot=f(o)}catch(a){y(t)}var s=function(t){var e={};e[t.id]=u(t.camera),t.saveCamera(t.graphDiv.layout),t.graphDiv.emit(\"plotly_relayout\",e)};if(t.glplot.canvas.addEventListener(\"mouseup\",s.bind(null,t)),t.glplot.canvas.addEventListener(\"wheel\",s.bind(null,t)),t.staticMode||t.glplot.canvas.addEventListener(\"webglcontextlost\",function(t){d.warn(\"Lost WebGL context.\"),t.preventDefault()}),!t.camera){var l=t.fullSceneLayout.camera;t.camera=b(t.container,{center:[l.center.x,l.center.y,l.center.z],eye:[l.eye.x,l.eye.y,l.eye.z],up:[l.up.x,l.up.y,l.up.z],zoomMin:.1,zoomMax:100,mode:\"orbit\"})}return t.glplot.mouseListener.enabled=!1,t.glplot.camera=t.camera,t.glplot.oncontextloss=function(){t.recoverContext()},t.glplot.onrender=n.bind(null,t),t.traces={},!0}function o(t,e){var r=document.createElement(\"div\"),n=t.container;this.graphDiv=t.graphDiv;var o=document.createElementNS(\"http://www.w3.org/2000/svg\",\"svg\");o.style.position=\"absolute\",o.style.top=o.style.left=\"0px\",o.style.width=o.style.height=\"100%\",o.style[\"z-index\"]=20,o.style[\"pointer-events\"]=\"none\",r.appendChild(o),this.svgContainer=o,r.id=t.id,r.style.position=\"absolute\",r.style.top=r.style.left=\"0px\",r.style.width=r.style.height=\"100%\",n.appendChild(r),this.fullLayout=e,this.id=t.id||\"scene\",this.fullSceneLayout=e[this.id],this.plotArgs=[[],{},{}],this.axesOptions=w(e[this.id]),this.spikeOptions=M(e[this.id]),this.container=r,this.staticMode=!!t.staticPlot,this.pixelRatio=t.plotGlPixelRatio||2,this.dataScale=[1,1,1],this.contourLevels=[[],[],[]],!i(this,e)}function a(t,e,r,n){for(var i,o=0;o<e.length;++o)if(Array.isArray(e[o]))for(var a=0;a<e[o].length;++a)i=t.d2l(e[o][a]),!isNaN(i)&&isFinite(i)&&(n[0][r]=Math.min(n[0][r],i),n[1][r]=Math.max(n[1][r],i));else i=t.d2l(e[o]),!isNaN(i)&&isFinite(i)&&(n[0][r]=Math.min(n[0][r],i),n[1][r]=Math.max(n[1][r],i))}function s(t,e,r){var n=t.fullSceneLayout;a(n.xaxis,e.x,0,r),a(n.yaxis,e.y,1,r),a(n.zaxis,e.z,2,r)}function l(t){return[[t.eye.x,t.eye.y,t.eye.z],[t.center.x,t.center.y,t.center.z],[t.up.x,t.up.y,t.up.z]]}function u(t){return{up:{x:t.up[0],y:t.up[1],z:t.up[2]},center:{x:t.center[0],y:t.center[1],z:t.center[2]},eye:{x:t.eye[0],y:t.eye[1],z:t.eye[2]}}}var c,h,f=t(\"gl-plot3d\"),d=t(\"../../lib\"),p=t(\"../../plots/plots\"),v=t(\"../../plots/cartesian/axes\"),m=t(\"../../plots/cartesian/graph_interact\"),g=t(\"../../lib/str2rgbarray\"),y=t(\"../../lib/show_no_webgl_msg\"),b=t(\"./camera\"),x=t(\"./project\"),_=t(\"./set_convert\"),w=t(\"./layout/convert\"),M=t(\"./layout/spikes\"),k=t(\"./layout/tick_marks\"),A=o.prototype;A.recoverContext=function(){function t(){return r.isContextLost()?void requestAnimationFrame(t):i(e,e.fullLayout,n,r)?void e.plot.apply(e,e.plotArgs):void d.error(\"Catastrophic and unrecoverable WebGL error. Context lost.\")}var e=this,r=this.glplot.gl,n=this.glplot.canvas;this.glplot.dispose(),requestAnimationFrame(t)};var T=[\"xaxis\",\"yaxis\",\"zaxis\"];A.plot=function(t,e,r){if(this.plotArgs=[t,e,r],!this.glplot.contextLost){var n,i,o,a,l,u,c=e[this.id],h=r[this.id];for(c.bgcolor?this.glplot.clearColor=g(c.bgcolor):this.glplot.clearColor=[0,0,0,0],this.glplot.snapToData=!0,this.fullSceneLayout=c,this.glplotLayout=c,this.axesOptions.merge(c),this.spikeOptions.merge(c),this.updateFx(c.dragmode,c.hovermode),this.glplot.update({}),o=0;3>o;++o)l=c[T[o]],_(l);t?Array.isArray(t)||(t=[t]):t=[];var f=[[1/0,1/0,1/0],[-(1/0),-(1/0),-(1/0)]];for(o=0;o<t.length;++o)n=t[o],n.visible===!0&&s(this,n,f);var d=[1,1,1];for(a=0;3>a;++a)f[0][a]>f[1][a]?d[a]=1:f[1][a]===f[0][a]?d[a]=1:d[a]=1/(f[1][a]-f[0][a]);for(this.dataScale=d,o=0;o<t.length;++o)if(n=t[o],n.visible===!0){if(i=this.traces[n.uid])i.update(n);else{var v=p.getModule(n.type);i=v.plot(this,n),this.traces[n.uid]=i}i.name=n.name}var m=Object.keys(this.traces);t:for(o=0;o<m.length;++o){for(a=0;a<t.length;++a)if(t[a].uid===m[o]&&t[a].visible===!0)continue t;i=this.traces[m[o]],i.dispose(),delete this.traces[m[o]]}var y=[[0,0,0],[0,0,0]],b=[],x={};for(o=0;3>o;++o){if(l=c[T[o]],u=l.type,u in x?(x[u].acc*=d[o],x[u].count+=1):x[u]={acc:d[o],count:1},l.autorange){for(y[0][o]=1/0,y[1][o]=-(1/0),a=0;a<this.glplot.objects.length;++a){var w=this.glplot.objects[a].bounds;y[0][o]=Math.min(y[0][o],w[0][o]/d[o]),y[1][o]=Math.max(y[1][o],w[1][o]/d[o])}if(\"rangemode\"in l&&\"tozero\"===l.rangemode&&(y[0][o]=Math.min(y[0][o],0),y[1][o]=Math.max(y[1][o],0)),y[0][o]>y[1][o])y[0][o]=-1,y[1][o]=1;else{var M=y[1][o]-y[0][o];y[0][o]-=M/32,y[1][o]+=M/32}}else{var k=c[T[o]].range;y[0][o]=k[0],y[1][o]=k[1]}y[0][o]===y[1][o]&&(y[0][o]-=1,y[1][o]+=1),b[o]=y[1][o]-y[0][o],this.glplot.bounds[0][o]=y[0][o]*d[o],this.glplot.bounds[1][o]=y[1][o]*d[o]}var A=[1,1,1];for(o=0;3>o;++o){l=c[T[o]],u=l.type;var E=x[u];A[o]=Math.pow(E.acc,1/E.count)/d[o]}var S,L=4;if(\"auto\"===c.aspectmode)S=Math.max.apply(null,A)/Math.min.apply(null,A)<=L?A:[1,1,1];else if(\"cube\"===c.aspectmode)S=[1,1,1];else if(\"data\"===c.aspectmode)S=A;else{if(\"manual\"!==c.aspectmode)throw new Error(\"scene.js aspectRatio was not one of the enumerated types\");var z=c.aspectratio;S=[z.x,z.y,z.z]}c.aspectratio.x=h.aspectratio.x=S[0],c.aspectratio.y=h.aspectratio.y=S[1],c.aspectratio.z=h.aspectratio.z=S[2],this.glplot.aspect=S;var I=c.domain||null,P=e._size||null;if(I&&P){var C=this.container.style;C.position=\"absolute\",C.left=P.l+I.x[0]*P.w+\"px\",C.top=P.t+(1-I.y[1])*P.h+\"px\",C.width=P.w*(I.x[1]-I.x[0])+\"px\",C.height=P.h*(I.y[1]-I.y[0])+\"px\"}this.glplot.redraw()}},A.destroy=function(){this.glplot.dispose(),this.container.parentNode.removeChild(this.container),this.glplot=null},A.setCameraToDefault=function(){this.setCamera({eye:{x:1.25,y:1.25,z:1.25},center:{x:0,y:0,z:0},up:{x:0,y:0,z:1}})},A.getCamera=function(){return this.glplot.camera.view.recalcMatrix(this.camera.view.lastT()),u(this.glplot.camera)},A.setCamera=function(t){var e={};e[this.id]=t,this.glplot.camera.lookAt.apply(this,l(t)),this.graphDiv.emit(\"plotly_relayout\",e)},A.saveCamera=function(t){function e(t,e,r,n){var i=[\"up\",\"center\",\"eye\"],o=[\"x\",\"y\",\"z\"];return e[i[r]]&&t[i[r]][o[n]]===e[i[r]][o[n]]}var r=this.getCamera(),n=d.nestedProperty(t,this.id+\".camera\"),i=n.get(),o=!1;if(void 0===i)o=!0;else for(var a=0;3>a;a++)for(var s=0;3>s;s++)if(!e(r,i,a,s)){o=!0;break}return o&&n.set(r),o},A.updateFx=function(t,e){var r=this.camera;r&&(\"orbit\"===t?(r.mode=\"orbit\",r.keyBindingMode=\"rotate\"):\"turntable\"===t?(r.up=[0,0,1],r.mode=\"turntable\",r.keyBindingMode=\"rotate\"):r.keyBindingMode=t),this.fullSceneLayout.hovermode=e},A.toImage=function(t){t||(t=\"png\"),this.staticMode&&this.container.appendChild(c),this.glplot.redraw();var e=this.glplot.gl,r=e.drawingBufferWidth,n=e.drawingBufferHeight;e.bindFramebuffer(e.FRAMEBUFFER,null);var i=new Uint8Array(r*n*4);e.readPixels(0,0,r,n,e.RGBA,e.UNSIGNED_BYTE,i);for(var o=0,a=n-1;a>o;++o,--a)for(var s=0;r>s;++s)for(var l=0;4>l;++l){var u=i[4*(r*o+s)+l];i[4*(r*o+s)+l]=i[4*(r*a+s)+l],i[4*(r*a+s)+l]=u}var h=document.createElement(\"canvas\");h.width=r,h.height=n;var f=h.getContext(\"2d\"),d=f.createImageData(r,n);d.data.set(i),f.putImageData(d,0,0);var p;switch(t){case\"jpeg\":p=h.toDataURL(\"image/jpeg\");break;case\"webp\":p=h.toDataURL(\"image/webp\");break;default:p=h.toDataURL(\"image/png\")}return this.staticMode&&this.container.removeChild(c),p},e.exports=o},{\"../../lib\":568,\"../../lib/show_no_webgl_msg\":578,\"../../lib/str2rgbarray\":580,\"../../plots/cartesian/axes\":592,\"../../plots/cartesian/graph_interact\":599,\"../../plots/plots\":648,\"./camera\":627,\"./layout/convert\":632,\"./layout/spikes\":635,\"./layout/tick_marks\":636,\"./project\":637,\"./set_convert\":639,\"gl-plot3d\":189}],639:[function(t,e,r){\"use strict\";var n=t(\"../cartesian/axes\"),i=function(){};e.exports=function(t){n.setConvert(t),t.setScale=i}},{\"../cartesian/axes\":592}],640:[function(t,e,r){\"use strict\";var n=t(\"../plotly\"),i=t(\"./font_attributes\"),o=t(\"../components/color/attributes\"),a=n.Lib.extendFlat;e.exports={font:{family:a({},i.family,{dflt:'\"Open Sans\", verdana, arial, sans-serif'}),size:a({},i.size,{dflt:12}),color:a({},i.color,{dflt:o.defaultLine})},title:{valType:\"string\",dflt:\"Click to enter Plot title\"},titlefont:a({},i,{}),autosize:{valType:\"enumerated\",values:[!0,!1,\"initial\"]},width:{valType:\"number\",min:10,dflt:700},height:{valType:\"number\",min:10,dflt:450},margin:{l:{valType:\"number\",min:0,dflt:80},r:{valType:\"number\",min:0,dflt:80},t:{valType:\"number\",min:0,dflt:100},b:{valType:\"number\",min:0,dflt:80},pad:{valType:\"number\",min:0,dflt:0},autoexpand:{\nvalType:\"boolean\",dflt:!0}},paper_bgcolor:{valType:\"color\",dflt:o.background},plot_bgcolor:{valType:\"color\",dflt:o.background},separators:{valType:\"string\",dflt:\".,\"},hidesources:{valType:\"boolean\",dflt:!1},smith:{valType:\"enumerated\",values:[!1],dflt:!1},showlegend:{valType:\"boolean\"},_composedModules:{\"*\":\"Fx\"},_nestedModules:{xaxis:\"Axes\",yaxis:\"Axes\",scene:\"gl3d\",geo:\"geo\",legend:\"Legend\",annotations:\"Annotations\",shapes:\"Shapes\",images:\"Images\",updatemenus:\"UpdateMenus\",ternary:\"ternary\",mapbox:\"mapbox\"}}},{\"../components/color/attributes\":482,\"../plotly\":589,\"./font_attributes\":610}],641:[function(t,e,r){\"use strict\";e.exports={styleUrlPrefix:\"mapbox://styles/mapbox/\",styleUrlSuffix:\"v9\",controlContainerClassName:\"mapboxgl-control-container\",noAccessTokenErrorMsg:[\"Missing Mapbox access token.\",\"Mapbox trace type require a Mapbox access token to be registered.\",\"For example:\",\"  Plotly.plot(gd, data, layout, { mapboxAccessToken: 'my-access-token' });\",\"More info here: https://www.mapbox.com/help/define-access-token/\"].join(\"\\n\"),mapOnErrorMsg:\"Mapbox error.\"}},{}],642:[function(t,e,r){\"use strict\";var n=t(\"../../lib\");e.exports=function(t,e){var r=t.split(\" \"),i=r[0],o=r[1],a=Array.isArray(e)?n.mean(e):e,s=.5+a/100,l=1.5+a/100,u=[\"\",\"\"],c=[0,0];switch(i){case\"top\":u[0]=\"top\",c[1]=-l;break;case\"bottom\":u[0]=\"bottom\",c[1]=l}switch(o){case\"left\":u[1]=\"right\",c[0]=-s;break;case\"right\":u[1]=\"left\",c[0]=s}var h;return h=u[0]&&u[1]?u.join(\"-\"):u[0]?u[0]:u[1]?u[1]:\"center\",{anchor:h,offset:c}}},{\"../../lib\":568}],643:[function(t,e,r){\"use strict\";function n(t,e){for(var r=[],n=0;n<t.length;n++){var i=t[n],o=i[0].trace;o.subplot===e&&r.push(i)}return r}function i(t,e){for(var r=t._fullLayout,n=t._context,i=n.mapboxAccessToken,o=0;o<e.length;o++){var a=r[e[o]];if(a.accesstoken){i=a.accesstoken;break}}if(!i)throw new Error(u.noAccessTokenErrorMsg);return i}var o=t(\"mapbox-gl\"),a=t(\"../plots\"),s=t(\"../../constants/xmlns_namespaces\"),l=t(\"./mapbox\"),u=t(\"./constants\");r.name=\"mapbox\",r.attr=\"subplot\",r.idRoot=\"mapbox\",r.idRegex=/^mapbox([2-9]|[1-9][0-9]+)?$/,r.attrRegex=/^mapbox([2-9]|[1-9][0-9]+)?$/,r.attributes={subplot:{valType:\"subplotid\",dflt:\"mapbox\"}},r.layoutAttributes=t(\"./layout_attributes\"),r.supplyLayoutDefaults=t(\"./layout_defaults\"),r.plot=function(t){var e=t._fullLayout,r=t.calcdata,s=a.getSubplotIds(e,\"mapbox\"),u=i(t,s);o.accessToken=u;for(var c=0;c<s.length;c++){var h=s[c],f=n(r,h),d=e[h],p=d._subplot;d.accesstoken=u,p||(p=l({gd:t,container:e._glcontainer.node(),id:h,fullLayout:e,staticPlot:t._context.staticPlot}),e[h]._subplot=p),p.plot(f,e,t._promises)}},r.clean=function(t,e,r,n){for(var i=a.getSubplotIds(n,\"mapbox\"),o=0;o<i.length;o++){var s=i[o];!e[s]&&n[s]._subplot&&n[s]._subplot.destroy()}},r.toSVG=function(t){for(var e=t._fullLayout,r=a.getSubplotIds(e,\"mapbox\"),n=e._size,i=0;i<r.length;i++){var o=e[r[i]],l=o.domain,u=o._subplot,c=u.toImage(\"png\"),h=e._glimages.append(\"svg:image\");h.attr({xmlns:s.svg,\"xlink:href\":c,x:n.l+n.w*l.x[0],y:n.t+n.h*(1-l.y[1]),width:n.w*(l.x[1]-l.x[0]),height:n.h*(l.y[1]-l.y[0]),preserveAspectRatio:\"none\"}),u.destroy()}}},{\"../../constants/xmlns_namespaces\":556,\"../plots\":648,\"./constants\":641,\"./layout_attributes\":645,\"./layout_defaults\":646,\"./mapbox\":647,\"mapbox-gl\":260}],644:[function(t,e,r){\"use strict\";function n(t,e){this.mapbox=t,this.map=t.map,this.uid=t.uid+\"-layer\"+e,this.idSource=this.uid+\"-source\",this.idLayer=this.uid+\"-layer\",this.sourceType=null,this.source=null,this.layerType=null,this.below=null,this.visible=!1}function i(t){var e=t.source;return s.isPlainObject(e)||\"string\"==typeof e&&e.length>0}function o(t){var e={},r={};switch(t.type){case\"circle\":s.extendFlat(r,{\"circle-radius\":t.circle.radius,\"circle-color\":t.color,\"circle-opacity\":t.opacity});break;case\"line\":s.extendFlat(r,{\"line-width\":t.line.width,\"line-color\":t.color,\"line-opacity\":t.opacity});break;case\"fill\":s.extendFlat(r,{\"fill-color\":t.color,\"fill-outline-color\":t.fill.outlinecolor,\"fill-opacity\":t.opacity});break;case\"symbol\":var n=t.symbol,i=l(n.textposition,n.iconsize);s.extendFlat(e,{\"icon-image\":n.icon+\"-15\",\"icon-size\":n.iconsize/10,\"text-field\":n.text,\"text-size\":n.textfont.size,\"text-anchor\":i.anchor,\"text-offset\":i.offset}),s.extendFlat(r,{\"icon-color\":t.color,\"text-color\":n.textfont.color,\"text-opacity\":t.opacity})}return{layout:e,paint:r}}function a(t){var e,r=t.sourcetype,n=t.source,i={type:r},o=\"string\"==typeof n;return\"geojson\"===r?e=\"data\":\"vector\"===r&&(e=o?\"url\":\"tiles\"),i[e]=n,i}var s=t(\"../../lib\"),l=t(\"./convert_text_opts\"),u=n.prototype;u.update=function(t){this.visible?this.needsNewSource(t)?(this.updateLayer(t),this.updateSource(t)):this.needsNewLayer(t)&&this.updateLayer(t):(this.updateSource(t),this.updateLayer(t)),this.updateStyle(t),this.visible=i(t)},u.needsNewSource=function(t){return this.sourceType!==t.sourcetype||this.source!==t.source||this.layerType!==t.type},u.needsNewLayer=function(t){return this.layerType!==t.type||this.below!==t.below},u.updateSource=function(t){var e=this.map;if(e.getSource(this.idSource)&&e.removeSource(this.idSource),this.sourceType=t.sourcetype,this.source=t.source,i(t)){var r=a(t);e.addSource(this.idSource,r)}},u.updateLayer=function(t){var e=this.map;if(e.getLayer(this.idLayer)&&e.removeLayer(this.idLayer),this.layerType=t.type,i(t)){e.addLayer({id:this.idLayer,source:this.idSource,\"source-layer\":t.sourcelayer||\"\",type:t.type},t.below);var r={visibility:\"visible\"};this.mapbox.setOptions(this.idLayer,\"setLayoutProperty\",r)}},u.updateStyle=function(t){var e=o(t);i(t)&&(this.mapbox.setOptions(this.idLayer,\"setLayoutProperty\",e.layout),this.mapbox.setOptions(this.idLayer,\"setPaintProperty\",e.paint))},u.dispose=function(){var t=this.map;t.removeLayer(this.idLayer),t.removeSource(this.idSource)},e.exports=function(t,e,r){var i=new n(t,e);return i.update(r),i}},{\"../../lib\":568,\"./convert_text_opts\":642}],645:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"../../components/color\").defaultLine,o=t(\"../font_attributes\"),a=t(\"../../traces/scatter/attributes\").textposition;e.exports={domain:{x:{valType:\"info_array\",items:[{valType:\"number\",min:0,max:1},{valType:\"number\",min:0,max:1}],dflt:[0,1]},y:{valType:\"info_array\",items:[{valType:\"number\",min:0,max:1},{valType:\"number\",min:0,max:1}],dflt:[0,1]}},accesstoken:{valType:\"string\",noBlank:!0,strict:!0},style:{valType:\"any\",values:[\"basic\",\"streets\",\"outdoors\",\"light\",\"dark\",\"satellite\",\"satellite-streets\"],dflt:\"basic\"},center:{lon:{valType:\"number\",dflt:0},lat:{valType:\"number\",dflt:0}},zoom:{valType:\"number\",dflt:1},bearing:{valType:\"number\",dflt:0},pitch:{valType:\"number\",dflt:0},layers:{_isLinkedToArray:!0,sourcetype:{valType:\"enumerated\",values:[\"geojson\",\"vector\"],dflt:\"geojson\"},source:{valType:\"any\"},sourcelayer:{valType:\"string\",dflt:\"\"},type:{valType:\"enumerated\",values:[\"circle\",\"line\",\"fill\",\"symbol\"],dflt:\"circle\"},below:{valType:\"string\",dflt:\"\"},color:{valType:\"color\",dflt:i},opacity:{valType:\"number\",min:0,max:1,dflt:1},circle:{radius:{valType:\"number\",dflt:15}},line:{width:{valType:\"number\",dflt:2}},fill:{outlinecolor:{valType:\"color\",dflt:i}},symbol:{icon:{valType:\"string\",dflt:\"marker\"},iconsize:{valType:\"number\",dflt:10},text:{valType:\"string\",dflt:\"\"},textfont:n.extendDeep({},o,{family:{dflt:\"Open Sans Regular, Arial Unicode MS Regular\"}}),textposition:n.extendFlat({},a,{arrayOk:!1})}}}},{\"../../components/color\":483,\"../../lib\":568,\"../../traces/scatter/attributes\":750,\"../font_attributes\":610}],646:[function(t,e,r){\"use strict\";function n(t,e,r){r(\"accesstoken\"),r(\"style\"),r(\"center.lon\"),r(\"center.lat\"),r(\"zoom\"),r(\"bearing\"),r(\"pitch\"),i(t,e),e._input=t}function i(t,e){function r(t,e){return o.coerce(n,i,s.layers,t,e)}for(var n,i,a=t.layers||[],l=e.layers=[],u=0;u<a.length;u++)if(n=a[u],i={},o.isPlainObject(n)){var c=r(\"sourcetype\");r(\"source\"),\"vector\"===c&&r(\"sourcelayer\");var h=r(\"type\");r(\"below\"),r(\"color\"),r(\"opacity\"),\"circle\"===h&&r(\"circle.radius\"),\"line\"===h&&r(\"line.width\"),\"fill\"===h&&r(\"fill.outlinecolor\"),\"symbol\"===h&&(r(\"symbol.icon\"),r(\"symbol.iconsize\"),r(\"symbol.text\"),o.coerceFont(r,\"symbol.textfont\"),r(\"symbol.textposition\")),i._index=u,l.push(i)}}var o=t(\"../../lib\"),a=t(\"../subplot_defaults\"),s=t(\"./layout_attributes\");e.exports=function(t,e,r){a(t,e,r,{type:\"mapbox\",attributes:s,handleDefaults:n,partition:\"y\"})}},{\"../../lib\":568,\"../subplot_defaults\":654,\"./layout_attributes\":645}],647:[function(t,e,r){\"use strict\";function n(t){this.id=t.id,this.gd=t.gd,this.container=t.container,this.isStatic=t.staticPlot;var e=t.fullLayout;this.uid=e._uid+\"-\"+this.id,this.opts=e[this.id],this.div=null,this.xaxis=null,this.yaxis=null,this.createFramework(e),this.map=null,this.accessToken=null,this.styleObj=null,this.traceHash={},this.layerList=[]}function i(t){var e=h.style.values,r=h.style.dflt,n={};return u.isPlainObject(t)?(n.id=t.id,n.style=t):\"string\"==typeof t?(n.id=t,n.style=-1!==e.indexOf(t)?o(t):t):(n.id=r,n.style=o(r)),n}function o(t){return c.styleUrlPrefix+t+\"-\"+c.styleUrlSuffix}function a(t){return[t.lon,t.lat]}var s=t(\"mapbox-gl\"),l=t(\"../cartesian/graph_interact\"),u=t(\"../../lib\"),c=t(\"./constants\"),h=t(\"./layout_attributes\"),f=t(\"./layers\"),d=n.prototype;e.exports=function(t){var e=new n(t);return e},d.plot=function(t,e,r){var n=this,i=n.opts=e[this.id];n.map&&i.accesstoken!==n.accessToken&&(n.map.remove(),n.map=null,n.styleObj=null,n.traceHash=[],n.layerList={});var o;o=n.map?new Promise(function(r,i){n.updateMap(t,e,r,i)}):new Promise(function(r,i){n.createMap(t,e,r,i)}),r.push(o)},d.createMap=function(t,e,r,n){function o(){l.loneUnhover(e._toppaper)}var h=this,f=h.gd,d=h.opts,p=h.styleObj=i(d.style);h.accessToken=d.accesstoken;var v=h.map=new s.Map({container:h.div,style:p.style,center:a(d.center),zoom:d.zoom,bearing:d.bearing,pitch:d.pitch,interactive:!h.isStatic,preserveDrawingBuffer:h.isStatic}),m=c.controlContainerClassName,g=h.div.getElementsByClassName(m)[0];h.div.removeChild(g),h.rejectOnError(n),v.once(\"load\",function(){h.updateData(t),h.updateLayout(e),h.resolveOnRender(r)}),v.on(\"move\",function(){var t=h.getView();d._input.center=d.center=t.center,d._input.zoom=d.zoom=t.zoom,d._input.bearing=d.bearing=t.bearing,d._input.pitch=d.pitch=t.pitch;var e={};e[h.id]=u.extendFlat({},t),f.emit(\"plotly_relayout\",e)}),v.on(\"mousemove\",function(t){var e=h.div.getBoundingClientRect();t.clientX=t.point.x+e.left,t.clientY=t.point.y+e.top,t.target.getBoundingClientRect=function(){return e},h.xaxis.p2c=function(){return t.lngLat.lng},h.yaxis.p2c=function(){return t.lngLat.lat},l.hover(f,t,h.id)}),v.on(\"click\",function(){l.click(f,{target:!0})}),v.on(\"dragstart\",o),v.on(\"zoomstart\",o)},d.updateMap=function(t,e,r,n){var o=this,a=o.map;o.rejectOnError(n);var s=i(o.opts.style);o.styleObj.id!==s.id?(o.styleObj=s,a.setStyle(s.style),a.style.once(\"load\",function(){o.traceHash={},o.updateData(t),o.updateLayout(e),o.resolveOnRender(r)})):(o.updateData(t),o.updateLayout(e),o.resolveOnRender(r))},d.updateData=function(t){var e,r,n,i,o=this.traceHash;for(n=0;n<t.length;n++){var a=t[n];r=a[0].trace,e=o[r.uid],e?e.update(a):o[r.uid]=r._module.plot(this,a)}var s=Object.keys(o);t:for(n=0;n<s.length;n++){var l=s[n];for(i=0;i<t.length;i++)if(r=t[i][0].trace,l===r.uid)continue t;e=o[l],e.dispose(),delete o[l]}},d.updateLayout=function(t){var e=this.map,r=this.opts;e.setCenter(a(r.center)),e.setZoom(r.zoom),e.setBearing(r.bearing),e.setPitch(r.pitch),this.updateLayers(),this.updateFramework(t),this.map.resize()},d.resolveOnRender=function(t){var e=this.map;e.on(\"render\",function r(){e.loaded()&&(e.off(\"render\",r),t())})},d.rejectOnError=function(t){function e(){t(new Error(c.mapOnErrorMsg))}var r=this.map;r.once(\"error\",e),r.once(\"style.error\",e),r.once(\"source.error\",e),r.once(\"tile.error\",e),r.once(\"layer.error\",e)},d.createFramework=function(t){var e=this,r=e.div=document.createElement(\"div\");r.id=e.uid,r.style.position=\"absolute\",e.container.appendChild(r),e.xaxis={_id:\"x\",c2p:function(t){return e.project(t).x}},e.yaxis={_id:\"y\",c2p:function(t){return e.project(t).y}},e.updateFramework(t)},d.updateFramework=function(t){var e=t[this.id].domain,r=t._size,n=this.div.style;n.width=r.w*(e.x[1]-e.x[0])+\"px\",n.height=r.h*(e.y[1]-e.y[0])+\"px\",n.left=r.l+e.x[0]*r.w+\"px\",n.top=r.t+(1-e.y[1])*r.h+\"px\",this.xaxis._offset=r.l+e.x[0]*r.w,this.xaxis._length=r.w*(e.x[1]-e.x[0]),this.yaxis._offset=r.t+(1-e.y[1])*r.h,this.yaxis._length=r.h*(e.y[1]-e.y[0])},d.updateLayers=function(){var t,e=this.opts,r=e.layers,n=this.layerList;if(r.length!==n.length){for(t=0;t<n.length;t++)n[t].dispose();for(n=this.layerList=[],t=0;t<r.length;t++)n.push(f(this,t,r[t]))}else for(t=0;t<r.length;t++)n[t].update(r[t])},d.destroy=function(){this.map&&this.map.remove(),this.container.removeChild(this.div)},d.toImage=function(){return this.map.getCanvas().toDataURL()},d.createGeoJSONSource=function(){var t={type:\"Feature\",geometry:{type:\"Point\",coordinates:[]}};return new s.GeoJSONSource({data:t})},d.setOptions=function(t,e,r){for(var n=this.map,i=Object.keys(r),o=0;o<i.length;o++){var a=i[o];n[e](t,a,r[a])}},d.project=function(t){return this.map.project(new s.LngLat(t[0],t[1]))},d.getView=function(){var t=this.map,e=t.getCenter(),r={lon:e.lng,lat:e.lat};return{center:r,zoom:t.getZoom(),bearing:t.getBearing(),pitch:t.getPitch()}}},{\"../../lib\":568,\"../cartesian/graph_interact\":599,\"./constants\":641,\"./layers\":644,\"./layout_attributes\":645,\"mapbox-gl\":260}],648:[function(t,e,r){\"use strict\";function n(t){return\"object\"==typeof t&&(t=t.type),t}function i(t,e){e.text(\"\");var r=e.append(\"a\").attr({\"xlink:xlink:href\":\"#\",\"class\":\"link--impt link--embedview\",\"font-weight\":\"bold\"}).text(t._context.linkText+\" \"+String.fromCharCode(187));if(t._context.sendData)r.on(\"click\",function(){d.sendDataToCloud(t)});else{var n=window.location.pathname.split(\"/\"),i=window.location.search;r.attr({\"xlink:xlink:show\":\"new\",\"xlink:xlink:href\":\"/\"+n[2].split(\".\")[0]+\"/\"+n[1]+i})}}function o(t,e){for(var r=h.isPlainObject,n=Array.isArray,i=Object.keys(e),a=0;a<i.length;a++){var s=i[a],l=e[s],u=t[s];if(\"_\"===s.charAt(0)||\"function\"==typeof l){if(s in t)continue;t[s]=l}else if(n(l)&&n(u)&&r(l[0]))for(var c=0;c<l.length;c++)r(l[c])&&r(u[c])&&o(u[c],l[c]);else r(l)&&r(u)&&(o(u,l),Object.keys(u).length||delete t[s])}}function a(t,e,r){if(Array.isArray(t.transforms))for(var n=t.transforms,i=e.transforms=[],o=0;o<n.length;o++){var a,s=n[o],l=s.type,u=y[l];u||h.warn(\"Unrecognized transform type \"+l+\".\"),u&&u.supplyDefaults?(a=u.supplyDefaults(s,e,r),a.type=l):a=h.extendFlat({},s),i.push(a)}}function s(t,e,r){for(var n=t.transforms,i=[t],o=0;o<n.length;o++){var a=n[o],s=a.type,l=y[s];l&&(i=l.transform(i,{transform:a,fullTrace:t,fullData:e,layout:r}))}return i}var l=t(\"d3\"),u=t(\"fast-isnumeric\"),c=t(\"../plotly\"),h=t(\"../lib\"),f=t(\"../components/color\"),d=e.exports={},p=d.modules={},v=d.allTypes=[],m=d.allCategories={},g=d.subplotsRegistry={},y=d.transformsRegistry={};d.attributes=t(\"./attributes\"),d.attributes.type.values=v,d.fontAttrs=t(\"./font_attributes\"),d.layoutAttributes=t(\"./layout_attributes\"),d.fontWeight=\"normal\",d.register=function(t,e,r,n){if(p[e])return void h.log(\"Type \"+e+\" already registered\");for(var i={},o=0;o<r.length;o++)i[r[o]]=!0,m[r[o]]=!0;p[e]={_module:t,categories:i},n&&Object.keys(n).length&&(p[e].meta=n),v.push(e)},d.getModule=function(t){if(void 0!==t.r)return h.warn(\"Tried to put a polar trace on an incompatible graph of cartesian data. Ignoring this dataset.\",t),!1;var e=p[n(t)];return e?e._module:!1},d.traceIs=function(t,e){if(t=n(t),\"various\"===t)return!1;var r=p[t];return r||(void 0!==t&&h.log(\"Unrecognized trace type \"+t+\".\"),r=p[d.attributes.type.dflt]),!!r.categories[e]},d.registerSubplot=function(t){var e=t.name;return g[e]?void h.log(\"Plot type \"+e+\" already registered.\"):void(g[e]=t)},d.findSubplotIds=function(t,e){var r=[];if(void 0===d.subplotsRegistry[e])return r;for(var n=d.subplotsRegistry[e].attr,i=0;i<t.length;i++){var o=t[i];d.traceIs(o,e)&&-1===r.indexOf(o[n])&&r.push(o[n])}return r},d.getSubplotIds=function(t,e){var r=d.subplotsRegistry[e];if(void 0===r)return[];if(!(\"cartesian\"!==e||t._has&&t._has(\"cartesian\")))return[];if(!(\"gl2d\"!==e||t._has&&t._has(\"gl2d\")))return[];if(\"cartesian\"===e||\"gl2d\"===e)return Object.keys(t._plots||{});for(var n=r.idRegex,i=Object.keys(t),o=[],a=0;a<i.length;a++){var s=i[a];n.test(s)&&o.push(s)}var l=r.idRoot.length;return o.sort(function(t,e){var r=+(t.substr(l)||1),n=+(e.substr(l)||1);return r-n}),o},d.getSubplotData=function(t,e,r){if(void 0===d.subplotsRegistry[e])return[];for(var n,i=d.subplotsRegistry[e].attr,o=[],a=0;a<t.length;a++)if(n=t[a],\"gl2d\"===e&&d.traceIs(n,\"gl2d\")){var s=c.Axes.subplotMatch,l=\"x\"+r.match(s)[1],u=\"y\"+r.match(s)[2];n[i[0]]===l&&n[i[1]]===u&&o.push(n)}else n[i]===r&&o.push(n);return o},d.redrawText=function(t){return t.data&&t.data[0]&&t.data[0].r?void 0:new Promise(function(e){setTimeout(function(){c.Annotations.drawAll(t),c.Legend.draw(t),(t.calcdata||[]).forEach(function(t){t[0]&&t[0].t&&t[0].t.cb&&t[0].t.cb()}),e(d.previousPromises(t))},300)})},d.resize=function(t){return new Promise(function(e,r){t&&\"none\"!==l.select(t).style(\"display\")||r(new Error(\"Resize must be passed a plot div element.\")),t._redrawTimer&&clearTimeout(t._redrawTimer),t._redrawTimer=setTimeout(function(){if((t._fullLayout||{}).autosize){var r=t.changed;t.autoplay=!0,c.relayout(t,{autosize:!0}),t.changed=r,e(t)}},100)})},d.previousPromises=function(t){return(t._promises||[]).length?Promise.all(t._promises).then(function(){t._promises=[]}):void 0},d.addLinks=function(t){var e=t._fullLayout,r=e._paper.selectAll(\"text.js-plot-link-container\").data([0]);r.enter().append(\"text\").classed(\"js-plot-link-container\",!0).style({\"font-family\":'\"Open Sans\", Arial, sans-serif',\"font-size\":\"12px\",fill:f.defaultLine,\"pointer-events\":\"all\"}).each(function(){var t=l.select(this);t.append(\"tspan\").classed(\"js-link-to-tool\",!0),t.append(\"tspan\").classed(\"js-link-spacer\",!0),t.append(\"tspan\").classed(\"js-sourcelinks\",!0)});var n=r.node(),o={y:e._paper.attr(\"height\")-9};document.body.contains(n)&&n.getComputedTextLength()>=e.width-20?(o[\"text-anchor\"]=\"start\",o.x=5):(o[\"text-anchor\"]=\"end\",o.x=e._paper.attr(\"width\")-7),r.attr(o);var a=r.select(\".js-link-to-tool\"),s=r.select(\".js-link-spacer\"),u=r.select(\".js-sourcelinks\");t._context.showSources&&t._context.showSources(t),t._context.showLink&&i(t,a),s.text(a.text()&&u.text()?\" - \":\"\")},d.sendDataToCloud=function(t){t.emit(\"plotly_beforeexport\");var e=window.PLOTLYENV&&window.PLOTLYENV.BASE_URL||\"https://plot.ly\",r=l.select(t).append(\"div\").attr(\"id\",\"hiddenform\").style(\"display\",\"none\"),n=r.append(\"form\").attr({action:e+\"/external\",method:\"post\",target:\"_blank\"}),i=n.append(\"input\").attr({type:\"text\",name:\"data\"});return i.node().value=d.graphJson(t,!1,\"keepdata\"),n.node().submit(),r.remove(),t.emit(\"plotly_afterexport\"),!1},d.supplyDefaults=function(t){var e,r=t._fullLayout||{},n=t._fullLayout={},i=t.layout||{},a=t._fullData||[],s=t._fullData=[],l=t.data||[];d.supplyLayoutGlobalDefaults(i,n),n._dataLength=l.length,d.supplyDataDefaults(l,s,n),n._has=d._hasPlotType.bind(n);var u=n._modules;for(e=0;e<u.length;e++){var h=u[e];h.cleanData&&h.cleanData(s)}if(a.length===l.length)for(e=0;e<s.length;e++)o(s[e],a[e]);d.supplyLayoutModuleDefaults(i,n,s),n._hasCartesian=n._has(\"cartesian\"),n._hasGeo=n._has(\"geo\"),n._hasGL3D=n._has(\"gl3d\"),n._hasGL2D=n._has(\"gl2d\"),n._hasTernary=n._has(\"ternary\"),n._hasPie=n._has(\"pie\"),d.cleanPlot(s,n,a,r),o(n,r),d.doAutoMargin(t);var f=c.Axes.list(t);for(e=0;e<f.length;e++){var p=f[e];p._gd=t,p.setScale()}if((t.calcdata||[]).length===s.length)for(e=0;e<s.length;e++){var v=s[e];(t.calcdata[e][0]||{}).trace=v}},d._hasPlotType=function(t){for(var e=this._basePlotModules||[],r=0;r<e.length;r++){var n=e[r];if(n.name===t)return!0}return!1},d.cleanPlot=function(t,e,r,n){var i,o,a=n._basePlotModules||[];for(i=0;i<a.length;i++){var s=a[i];s.clean&&s.clean(t,e,r,n)}var l=!!n._paper,u=!!n._infolayer;t:for(i=0;i<r.length;i++){var c=r[i],h=c.uid;for(o=0;o<t.length;o++){var f=t[o];if(h===f.uid)continue t}l&&n._paper.selectAll(\".hm\"+h+\",.contour\"+h+\",#clip\"+h).remove(),u&&n._infolayer.selectAll(\".cb\"+h).remove()}},d.supplyDataDefaults=function(t,e,r){function n(t){e.push(t);var r=t._module;r&&(h.pushUnique(i,r),h.pushUnique(o,t._module.basePlotModule),a++)}for(var i=r._modules=[],o=r._basePlotModules=[],a=0,l=0;l<t.length;l++){var u=t[l],c=d.supplyTraceDefaults(u,a,r);if(c.transforms&&c.transforms.length)for(var f=s(c,e,r),p=0;p<f.length;p++){var v=f[p],m=d.supplyTraceDefaults(v,a,r);v.uid=m.uid=c.uid+p,m.index=l,m._input=u,m._fullInput=c,m._expandedIndex=a,m._expandedInput=v,n(m)}else c.index=l,c._input=u,c._expandedIndex=a,n(c)}},d.supplyTraceDefaults=function(t,e,r){function n(e,r){return h.coerce(t,o,d.attributes,e,r)}function i(e,r){return d.traceIs(o,e)?h.coerce(t,o,d.subplotsRegistry[e].attributes,r):void 0}var o={},s=f.defaults[e%f.defaults.length],l=n(\"visible\");n(\"type\"),n(\"uid\");for(var u=Object.keys(g),c=0;c<u.length;c++){var p=u[c];if(-1===[\"cartesian\",\"gl2d\"].indexOf(p)){var v=g[p].attr;v&&i(p,v)}}if(l){var m=d.getModule(o);o._module=m,n(\"hoverinfo\",1===r._dataLength?\"x+y+z+text\":void 0),m&&m.supplyDefaults(t,o,s,r),n(\"name\",\"trace \"+e),d.traceIs(o,\"noOpacity\")||n(\"opacity\"),i(\"cartesian\",\"xaxis\"),i(\"cartesian\",\"yaxis\"),i(\"gl2d\",\"xaxis\"),i(\"gl2d\",\"yaxis\"),d.traceIs(o,\"showLegend\")&&(n(\"showlegend\"),n(\"legendgroup\")),a(t,o,r)}return o},d.supplyLayoutGlobalDefaults=function(t,e){function r(r,n){return h.coerce(t,e,d.layoutAttributes,r,n)}var n=h.coerceFont(r,\"font\");r(\"title\"),h.coerceFont(r,\"titlefont\",{family:n.family,size:Math.round(1.4*n.size),color:n.color});var i=r(\"autosize\",t.width&&t.height?!1:\"initial\");r(\"width\"),r(\"height\"),r(\"margin.l\"),r(\"margin.r\"),r(\"margin.t\"),r(\"margin.b\"),r(\"margin.pad\"),r(\"margin.autoexpand\"),\"initial\"!==i&&d.sanitizeMargins(e),r(\"paper_bgcolor\"),r(\"separators\"),r(\"hidesources\"),r(\"smith\")},d.supplyLayoutModuleDefaults=function(t,e,r){var n,i;c.Axes.supplyLayoutDefaults(t,e,r);var o=e._basePlotModules;for(n=0;n<o.length;n++)i=o[n],\"cartesian\"!==i.name&&i.supplyLayoutDefaults&&i.supplyLayoutDefaults(t,e,r);var a=e._modules;for(n=0;n<a.length;n++)i=a[n],i.supplyLayoutDefaults&&i.supplyLayoutDefaults(t,e,r);var s=[\"Fx\",\"Annotations\",\"Shapes\",\"Legend\",\"Images\",\"UpdateMenus\"];for(n=0;n<s.length;n++)i=s[n],c[i]&&c[i].supplyLayoutDefaults(t,e,r)},d.purge=function(t){var e=t._fullLayout||{};void 0!==e._glcontainer&&e._glcontainer.remove(),void 0!==e._geocontainer&&e._geocontainer.remove(),e._modeBar&&e._modeBar.destroy(),delete t.data,delete t.layout,delete t._fullData,delete t._fullLayout,delete t.calcdata,delete t.framework,delete t.empty,delete t.fid,delete t.undoqueue,delete t.undonum,delete t.autoplay,delete t.changed,delete t._tester,delete t._testref,delete t._promises,delete t._redrawTimer,delete t._replotting,delete t.firstscatter,delete t.hmlumcount,delete t.hmpixcount,delete t.numboxes,delete t._hoverTimer,delete t._lastHoverTime,t.removeAllListeners&&t.removeAllListeners()},d.style=function(t){for(var e=t._fullLayout._modules,r=0;r<e.length;r++){var n=e[r];n.style&&n.style(t)}},d.sanitizeMargins=function(t){if(t&&t.margin){var e,r=t.width,n=t.height,i=t.margin,o=r-(i.l+i.r),a=n-(i.t+i.b);0>o&&(e=(r-1)/(i.l+i.r),i.l=Math.floor(e*i.l),i.r=Math.floor(e*i.r)),0>a&&(e=(n-1)/(i.t+i.b),i.t=Math.floor(e*i.t),i.b=Math.floor(e*i.b))}},d.autoMargin=function(t,e,r){var n=t._fullLayout;if(n._pushmargin||(n._pushmargin={}),n.margin.autoexpand!==!1){if(r){var i=void 0===r.pad?12:r.pad;r.l+r.r>.5*n.width&&(r.l=r.r=0),r.b+r.t>.5*n.height&&(r.b=r.t=0),n._pushmargin[e]={l:{val:r.x,size:r.l+i},r:{val:r.x,size:r.r+i},b:{val:r.y,size:r.b+i},t:{val:r.y,size:r.t+i}}}else delete n._pushmargin[e];t._replotting||d.doAutoMargin(t)}},d.doAutoMargin=function(t){var e=t._fullLayout;e._size||(e._size={}),e._pushmargin||(e._pushmargin={});var r=e._size,n=JSON.stringify(r),i=Math.max(e.margin.l||0,0),o=Math.max(e.margin.r||0,0),a=Math.max(e.margin.t||0,0),s=Math.max(e.margin.b||0,0),l=e._pushmargin;return e.margin.autoexpand!==!1&&(l.base={l:{val:0,size:i},r:{val:1,size:o},t:{val:1,size:a},b:{val:0,size:s}},Object.keys(l).forEach(function(t){var r=l[t].l||{},n=l[t].b||{},c=r.val,h=r.size,f=n.val,d=n.size;Object.keys(l).forEach(function(t){if(u(h)&&l[t].r){var r=l[t].r.val,n=l[t].r.size;if(r>c){var p=(h*r+(n-e.width)*c)/(r-c),v=(n*(1-c)+(h-e.width)*(1-r))/(r-c);p>=0&&v>=0&&p+v>i+o&&(i=p,o=v)}}if(u(d)&&l[t].t){var m=l[t].t.val,g=l[t].t.size;if(m>f){var y=(d*m+(g-e.height)*f)/(m-f),b=(g*(1-f)+(d-e.height)*(1-m))/(m-f);y>=0&&b>=0&&y+b>s+a&&(s=y,a=b)}}})})),r.l=Math.round(i),r.r=Math.round(o),r.t=Math.round(a),r.b=Math.round(s),r.p=Math.round(e.margin.pad),r.w=Math.round(e.width)-r.l-r.r,r.h=Math.round(e.height)-r.t-r.b,t._replotting||\"{}\"===n||n===JSON.stringify(e._size)?void 0:c.plot(t)},d.graphJson=function(t,e,r,n,i){function o(t){if(\"function\"==typeof t)return null;if(h.isPlainObject(t)){var e,n,i={};for(e in t)if(\"function\"!=typeof t[e]&&-1===[\"_\",\"[\"].indexOf(e.charAt(0))){if(\"keepdata\"===r){if(\"src\"===e.substr(e.length-3))continue}else if(\"keepstream\"===r){if(n=t[e+\"src\"],\"string\"==typeof n&&n.indexOf(\":\")>0&&!h.isPlainObject(t.stream))continue}else if(\"keepall\"!==r&&(n=t[e+\"src\"],\"string\"==typeof n&&n.indexOf(\":\")>0))continue;i[e]=o(t[e])}return i}return Array.isArray(t)?t.map(o):t&&t.getTime?h.ms2DateTime(t):t}(i&&e&&!t._fullData||i&&!e&&!t._fullLayout)&&d.supplyDefaults(t);var a=i?t._fullData:t.data,s=i?t._fullLayout:t.layout,l={data:(a||[]).map(function(t){var r=o(t);return e&&delete r.fit,r})};return e||(l.layout=o(s)),t.framework&&t.framework.isPolar&&(l=t.framework.getConfig()),\"object\"===n?l:JSON.stringify(l)}},{\"../components/color\":483,\"../lib\":568,\"../plotly\":589,\"./attributes\":590,\"./font_attributes\":610,\"./layout_attributes\":640,d3:119,\"fast-isnumeric\":123}],649:[function(t,e,r){\"use strict\";var n=t(\"../../traces/scatter/attributes\"),i=n.marker;e.exports={r:n.r,t:n.t,marker:{color:i.color,size:i.size,symbol:i.symbol,opacity:i.opacity}}},{\"../../traces/scatter/attributes\":750}],650:[function(t,e,r){\"use strict\";function n(t,e){var r={showline:{valType:\"boolean\"},showticklabels:{valType:\"boolean\"},tickorientation:{valType:\"enumerated\",values:[\"horizontal\",\"vertical\"]},ticklen:{valType:\"number\",min:0},tickcolor:{valType:\"color\"},ticksuffix:{valType:\"string\"},endpadding:{valType:\"number\"},visible:{valType:\"boolean\"}};return o({},e,r)}var i=t(\"../cartesian/layout_attributes\"),o=t(\"../../lib/extend\").extendFlat,a=o({},i.domain,{});e.exports={radialaxis:n(\"radial\",{range:{valType:\"info_array\",items:[{valType:\"number\"},{valType:\"number\"}]},domain:a,orientation:{valType:\"number\"}}),angularaxis:n(\"angular\",{range:{valType:\"info_array\",items:[{valType:\"number\",dflt:0},{valType:\"number\",dflt:360}]},domain:a}),layout:{direction:{valType:\"enumerated\",values:[\"clockwise\",\"counterclockwise\"]},orientation:{valType:\"angle\"}}}},{\"../../lib/extend\":563,\"../cartesian/layout_attributes\":601}],651:[function(t,e,r){var n=t(\"../../plotly\"),i=t(\"d3\"),o=e.exports={version:\"0.2.2\",manager:t(\"./micropolar_manager\")},a=n.Lib.extendDeepAll;o.Axis=function(){function t(t){r=t||r;var u=l.data,h=l.layout;return(\"string\"==typeof r||r.nodeName)&&(r=i.select(r)),r.datum(u).each(function(t,r){function l(t,e){return s(t)%360+h.orientation}var u=t.slice();c={data:o.util.cloneJson(u),layout:o.util.cloneJson(h)};var f=0;u.forEach(function(t,e){t.color||(t.color=h.defaultColorRange[f],f=(f+1)%h.defaultColorRange.length),t.strokeColor||(t.strokeColor=\"LinePlot\"===t.geometry?t.color:i.rgb(t.color).darker().toString()),c.data[e].color=t.color,c.data[e].strokeColor=t.strokeColor,c.data[e].strokeDash=t.strokeDash,c.data[e].strokeSize=t.strokeSize});var d=u.filter(function(t,e){var r=t.visible;return\"undefined\"==typeof r||r===!0}),p=!1,v=d.map(function(t,e){return p=p||\"undefined\"!=typeof t.groupId,t});if(p){var m=i.nest().key(function(t,e){return\"undefined\"!=typeof t.groupId?t.groupId:\"unstacked\"}).entries(v),g=[],y=m.map(function(t,e){if(\"unstacked\"===t.key)return t.values;var r=t.values[0].r.map(function(t,e){return 0});return t.values.forEach(function(t,e,n){t.yStack=[r],g.push(r),r=o.util.sumArrays(t.r,r)}),t.values});d=i.merge(y)}d.forEach(function(t,e){t.t=Array.isArray(t.t[0])?t.t:[t.t],t.r=Array.isArray(t.r[0])?t.r:[t.r]});var b=Math.min(h.width-h.margin.left-h.margin.right,h.height-h.margin.top-h.margin.bottom)/2;b=Math.max(10,b);var x,_=[h.margin.left+b,h.margin.top+b];if(p){var w=i.max(o.util.sumArrays(o.util.arrayLast(d).r[0],o.util.arrayLast(g)));x=[0,w]}else x=i.extent(o.util.flattenArray(d.map(function(t,e){return t.r})));h.radialAxis.domain!=o.DATAEXTENT&&(x[0]=0),n=i.scale.linear().domain(h.radialAxis.domain!=o.DATAEXTENT&&h.radialAxis.domain?h.radialAxis.domain:x).range([0,b]),c.layout.radialAxis.domain=n.domain();var M,k=o.util.flattenArray(d.map(function(t,e){return t.t})),A=\"string\"==typeof k[0];A&&(k=o.util.deduplicate(k),M=k.slice(),k=i.range(k.length),d=d.map(function(t,e){var r=t;return t.t=[k],p&&(r.yStack=t.yStack),r}));var T=d.filter(function(t,e){return\"LinePlot\"===t.geometry||\"DotPlot\"===t.geometry}).length===d.length,E=null===h.needsEndSpacing?A||!T:h.needsEndSpacing,S=h.angularAxis.domain&&h.angularAxis.domain!=o.DATAEXTENT&&!A&&h.angularAxis.domain[0]>=0,L=S?h.angularAxis.domain:i.extent(k),z=Math.abs(k[1]-k[0]);T&&!A&&(z=0);var I=L.slice();E&&A&&(I[1]+=z);var P=h.angularAxis.ticksCount||4;P>8&&(P=P/(P/8)+P%8),h.angularAxis.ticksStep&&(P=(I[1]-I[0])/P);var C=h.angularAxis.ticksStep||(I[1]-I[0])/(P*(h.minorTicks+1));M&&(C=Math.max(Math.round(C),1)),I[2]||(I[2]=C);var R=i.range.apply(this,I);if(R=R.map(function(t,e){return parseFloat(t.toPrecision(12))}),s=i.scale.linear().domain(I.slice(0,2)).range(\"clockwise\"===h.direction?[0,360]:[360,0]),c.layout.angularAxis.domain=s.domain(),c.layout.angularAxis.endPadding=E?z:0,e=i.select(this).select(\"svg.chart-root\"),\"undefined\"==typeof e||e.empty()){var D=\"<svg xmlns='http://www.w3.org/2000/svg' class='chart-root'>' + '<g class='outer-group'>' + '<g class='chart-group'>' + '<circle class='background-circle'></circle>' + '<g class='geometry-group'></g>' + '<g class='radial axis-group'>' + '<circle class='outside-circle'></circle>' + '</g>' + '<g class='angular axis-group'></g>' + '<g class='guides-group'><line></line><circle r='0'></circle></g>' + '</g>' + '<g class='legend-group'></g>' + '<g class='tooltips-group'></g>' + '<g class='title-group'><text></text></g>' + '</g>' + '</svg>\",O=(new DOMParser).parseFromString(D,\"application/xml\"),F=this.appendChild(this.ownerDocument.importNode(O.documentElement,!0));e=i.select(F)}e.select(\".guides-group\").style({\"pointer-events\":\"none\"}),e.select(\".angular.axis-group\").style({\"pointer-events\":\"none\"}),e.select(\".radial.axis-group\").style({\"pointer-events\":\"none\"});var j,N=e.select(\".chart-group\"),B={fill:\"none\",stroke:h.tickColor},U={\"font-size\":h.font.size,\"font-family\":h.font.family,fill:h.font.color,\"text-shadow\":[\"-1px 0px\",\"1px -1px\",\"-1px 1px\",\"1px 1px\"].map(function(t,e){return\" \"+t+\" 0 \"+h.font.outlineColor}).join(\",\")};if(h.showLegend){j=e.select(\".legend-group\").attr({transform:\"translate(\"+[b,h.margin.top]+\")\"}).style({display:\"block\"});var V=d.map(function(t,e){var r=o.util.cloneJson(t);return r.symbol=\"DotPlot\"===t.geometry?t.dotType||\"circle\":\"LinePlot\"!=t.geometry?\"square\":\"line\",r.visibleInLegend=\"undefined\"==typeof t.visibleInLegend||t.visibleInLegend,r.color=\"LinePlot\"===t.geometry?t.strokeColor:t.color,r});o.Legend().config({data:d.map(function(t,e){return t.name||\"Element\"+e}),legendConfig:a({},o.Legend.defaultConfig().legendConfig,{container:j,elements:V,reverseOrder:h.legend.reverseOrder})})();var q=j.node().getBBox();b=Math.min(h.width-q.width-h.margin.left-h.margin.right,h.height-h.margin.top-h.margin.bottom)/2,b=Math.max(10,b),_=[h.margin.left+b,h.margin.top+b],n.range([0,b]),c.layout.radialAxis.domain=n.domain(),j.attr(\"transform\",\"translate(\"+[_[0]+b,_[1]-b]+\")\");\n}else j=e.select(\".legend-group\").style({display:\"none\"});e.attr({width:h.width,height:h.height}).style({opacity:h.opacity}),N.attr(\"transform\",\"translate(\"+_+\")\").style({cursor:\"crosshair\"});var G=[(h.width-(h.margin.left+h.margin.right+2*b+(q?q.width:0)))/2,(h.height-(h.margin.top+h.margin.bottom+2*b))/2];if(G[0]=Math.max(0,G[0]),G[1]=Math.max(0,G[1]),e.select(\".outer-group\").attr(\"transform\",\"translate(\"+G+\")\"),h.title){var H=e.select(\"g.title-group text\").style(U).text(h.title),X=H.node().getBBox();H.attr({x:_[0]-X.width/2,y:_[1]-b-20})}var Y=e.select(\".radial.axis-group\");if(h.radialAxis.gridLinesVisible){var W=Y.selectAll(\"circle.grid-circle\").data(n.ticks(5));W.enter().append(\"circle\").attr({\"class\":\"grid-circle\"}).style(B),W.attr(\"r\",n),W.exit().remove()}Y.select(\"circle.outside-circle\").attr({r:b}).style(B);var Z=e.select(\"circle.background-circle\").attr({r:b}).style({fill:h.backgroundColor,stroke:h.stroke});if(h.radialAxis.visible){var K=i.svg.axis().scale(n).ticks(5).tickSize(5);Y.call(K).attr({transform:\"rotate(\"+h.radialAxis.orientation+\")\"}),Y.selectAll(\".domain\").style(B),Y.selectAll(\"g>text\").text(function(t,e){return this.textContent+h.radialAxis.ticksSuffix}).style(U).style({\"text-anchor\":\"start\"}).attr({x:0,y:0,dx:0,dy:0,transform:function(t,e){return\"horizontal\"===h.radialAxis.tickOrientation?\"rotate(\"+-h.radialAxis.orientation+\") translate(\"+[0,U[\"font-size\"]]+\")\":\"translate(\"+[0,U[\"font-size\"]]+\")\"}}),Y.selectAll(\"g>line\").style({stroke:\"black\"})}var J=e.select(\".angular.axis-group\").selectAll(\"g.angular-tick\").data(R),$=J.enter().append(\"g\").classed(\"angular-tick\",!0);J.attr({transform:function(t,e){return\"rotate(\"+l(t,e)+\")\"}}).style({display:h.angularAxis.visible?\"block\":\"none\"}),J.exit().remove(),$.append(\"line\").classed(\"grid-line\",!0).classed(\"major\",function(t,e){return e%(h.minorTicks+1)==0}).classed(\"minor\",function(t,e){return!(e%(h.minorTicks+1)==0)}).style(B),$.selectAll(\".minor\").style({stroke:h.minorTickColor}),J.select(\"line.grid-line\").attr({x1:h.tickLength?b-h.tickLength:0,x2:b}).style({display:h.angularAxis.gridLinesVisible?\"block\":\"none\"}),$.append(\"text\").classed(\"axis-text\",!0).style(U);var Q=J.select(\"text.axis-text\").attr({x:b+h.labelOffset,dy:\".35em\",transform:function(t,e){var r=l(t,e),n=b+h.labelOffset,i=h.angularAxis.tickOrientation;return\"horizontal\"==i?\"rotate(\"+-r+\" \"+n+\" 0)\":\"radial\"==i?270>r&&r>90?\"rotate(180 \"+n+\" 0)\":null:\"rotate(\"+(180>=r&&r>0?-90:90)+\" \"+n+\" 0)\"}}).style({\"text-anchor\":\"middle\",display:h.angularAxis.labelsVisible?\"block\":\"none\"}).text(function(t,e){return e%(h.minorTicks+1)!=0?\"\":M?M[t]+h.angularAxis.ticksSuffix:t+h.angularAxis.ticksSuffix}).style(U);h.angularAxis.rewriteTicks&&Q.text(function(t,e){return e%(h.minorTicks+1)!=0?\"\":h.angularAxis.rewriteTicks(this.textContent,e)});var tt=i.max(N.selectAll(\".angular-tick text\")[0].map(function(t,e){return t.getCTM().e+t.getBBox().width}));j.attr({transform:\"translate(\"+[b+tt,h.margin.top]+\")\"});var et=e.select(\"g.geometry-group\").selectAll(\"g\").size()>0,rt=e.select(\"g.geometry-group\").selectAll(\"g.geometry\").data(d);if(rt.enter().append(\"g\").attr({\"class\":function(t,e){return\"geometry geometry\"+e}}),rt.exit().remove(),d[0]||et){var nt=[];d.forEach(function(t,e){var r={};r.radialScale=n,r.angularScale=s,r.container=rt.filter(function(t,r){return r==e}),r.geometry=t.geometry,r.orientation=h.orientation,r.direction=h.direction,r.index=e,nt.push({data:t,geometryConfig:r})});var it=i.nest().key(function(t,e){return\"undefined\"!=typeof t.data.groupId||\"unstacked\"}).entries(nt),ot=[];it.forEach(function(t,e){\"unstacked\"===t.key?ot=ot.concat(t.values.map(function(t,e){return[t]})):ot.push(t.values)}),ot.forEach(function(t,e){var r;r=Array.isArray(t)?t[0].geometryConfig.geometry:t.geometryConfig.geometry;var n=t.map(function(t,e){return a(o[r].defaultConfig(),t)});o[r]().config(n)()})}var at,st,lt=e.select(\".guides-group\"),ut=e.select(\".tooltips-group\"),ct=o.tooltipPanel().config({container:ut,fontSize:8})(),ht=o.tooltipPanel().config({container:ut,fontSize:8})(),ft=o.tooltipPanel().config({container:ut,hasTick:!0})();if(!A){var dt=lt.select(\"line\").attr({x1:0,y1:0,y2:0}).style({stroke:\"grey\",\"pointer-events\":\"none\"});N.on(\"mousemove.angular-guide\",function(t,e){var r=o.util.getMousePos(Z).angle;dt.attr({x2:-b,transform:\"rotate(\"+r+\")\"}).style({opacity:.5});var n=(r+180+360-h.orientation)%360;at=s.invert(n);var i=o.util.convertToCartesian(b+12,r+180);ct.text(o.util.round(at)).move([i[0]+_[0],i[1]+_[1]])}).on(\"mouseout.angular-guide\",function(t,e){lt.select(\"line\").style({opacity:0})})}var pt=lt.select(\"circle\").style({stroke:\"grey\",fill:\"none\"});N.on(\"mousemove.radial-guide\",function(t,e){var r=o.util.getMousePos(Z).radius;pt.attr({r:r}).style({opacity:.5}),st=n.invert(o.util.getMousePos(Z).radius);var i=o.util.convertToCartesian(r,h.radialAxis.orientation);ht.text(o.util.round(st)).move([i[0]+_[0],i[1]+_[1]])}).on(\"mouseout.radial-guide\",function(t,e){pt.style({opacity:0}),ft.hide(),ct.hide(),ht.hide()}),e.selectAll(\".geometry-group .mark\").on(\"mouseover.tooltip\",function(t,r){var n=i.select(this),a=n.style(\"fill\"),s=\"black\",l=n.style(\"opacity\")||1;if(n.attr({\"data-opacity\":l}),\"none\"!=a){n.attr({\"data-fill\":a}),s=i.hsl(a).darker().toString(),n.style({fill:s,opacity:1});var u={t:o.util.round(t[0]),r:o.util.round(t[1])};A&&(u.t=M[t[0]]);var c=\"t: \"+u.t+\", r: \"+u.r,h=this.getBoundingClientRect(),f=e.node().getBoundingClientRect(),d=[h.left+h.width/2-G[0]-f.left,h.top+h.height/2-G[1]-f.top];ft.config({color:s}).text(c),ft.move(d)}else a=n.style(\"stroke\"),n.attr({\"data-stroke\":a}),s=i.hsl(a).darker().toString(),n.style({stroke:s,opacity:1})}).on(\"mousemove.tooltip\",function(t,e){return 0!=i.event.which?!1:void(i.select(this).attr(\"data-fill\")&&ft.show())}).on(\"mouseout.tooltip\",function(t,e){ft.hide();var r=i.select(this),n=r.attr(\"data-fill\");n?r.style({fill:n,opacity:r.attr(\"data-opacity\")}):r.style({stroke:r.attr(\"data-stroke\"),opacity:r.attr(\"data-opacity\")})})}),f}var e,r,n,s,l={data:[],layout:{}},u={},c={},h=i.dispatch(\"hover\"),f={};return f.render=function(e){return t(e),this},f.config=function(t){if(!arguments.length)return l;var e=o.util.cloneJson(t);return e.data.forEach(function(t,e){l.data[e]||(l.data[e]={}),a(l.data[e],o.Axis.defaultConfig().data[0]),a(l.data[e],t)}),a(l.layout,o.Axis.defaultConfig().layout),a(l.layout,e.layout),this},f.getLiveConfig=function(){return c},f.getinputConfig=function(){return u},f.radialScale=function(t){return n},f.angularScale=function(t){return s},f.svg=function(){return e},i.rebind(f,h,\"on\"),f},o.Axis.defaultConfig=function(t,e){var r={data:[{t:[1,2,3,4],r:[10,11,12,13],name:\"Line1\",geometry:\"LinePlot\",color:null,strokeDash:\"solid\",strokeColor:null,strokeSize:\"1\",visibleInLegend:!0,opacity:1}],layout:{defaultColorRange:i.scale.category10().range(),title:null,height:450,width:500,margin:{top:40,right:40,bottom:40,left:40},font:{size:12,color:\"gray\",outlineColor:\"white\",family:\"Tahoma, sans-serif\"},direction:\"clockwise\",orientation:0,labelOffset:10,radialAxis:{domain:null,orientation:-45,ticksSuffix:\"\",visible:!0,gridLinesVisible:!0,tickOrientation:\"horizontal\",rewriteTicks:null},angularAxis:{domain:[0,360],ticksSuffix:\"\",visible:!0,gridLinesVisible:!0,labelsVisible:!0,tickOrientation:\"horizontal\",rewriteTicks:null,ticksCount:null,ticksStep:null},minorTicks:0,tickLength:null,tickColor:\"silver\",minorTickColor:\"#eee\",backgroundColor:\"none\",needsEndSpacing:null,showLegend:!0,legend:{reverseOrder:!1},opacity:1}};return r},o.util={},o.DATAEXTENT=\"dataExtent\",o.AREA=\"AreaChart\",o.LINE=\"LinePlot\",o.DOT=\"DotPlot\",o.BAR=\"BarChart\",o.util._override=function(t,e){for(var r in t)r in e&&(e[r]=t[r])},o.util._extend=function(t,e){for(var r in t)e[r]=t[r]},o.util._rndSnd=function(){return 2*Math.random()-1+(2*Math.random()-1)+(2*Math.random()-1)},o.util.dataFromEquation2=function(t,e){var r=e||6,n=i.range(0,360+r,r).map(function(e,r){var n=e*Math.PI/180,i=t(n);return[e,i]});return n},o.util.dataFromEquation=function(t,e,r){var n=e||6,o=[],a=[];i.range(0,360+n,n).forEach(function(e,r){var n=e*Math.PI/180,i=t(n);o.push(e),a.push(i)});var s={t:o,r:a};return r&&(s.name=r),s},o.util.ensureArray=function(t,e){if(\"undefined\"==typeof t)return null;var r=[].concat(t);return i.range(e).map(function(t,e){return r[e]||r[0]})},o.util.fillArrays=function(t,e,r){return e.forEach(function(e,n){t[e]=o.util.ensureArray(t[e],r)}),t},o.util.cloneJson=function(t){return JSON.parse(JSON.stringify(t))},o.util.validateKeys=function(t,e){\"string\"==typeof e&&(e=e.split(\".\"));var r=e.shift();return t[r]&&(!e.length||objHasKeys(t[r],e))},o.util.sumArrays=function(t,e){return i.zip(t,e).map(function(t,e){return i.sum(t)})},o.util.arrayLast=function(t){return t[t.length-1]},o.util.arrayEqual=function(t,e){for(var r=Math.max(t.length,e.length,1);r-- >=0&&t[r]===e[r];);return-2===r},o.util.flattenArray=function(t){for(var e=[];!o.util.arrayEqual(e,t);)e=t,t=[].concat.apply([],t);return t},o.util.deduplicate=function(t){return t.filter(function(t,e,r){return r.indexOf(t)==e})},o.util.convertToCartesian=function(t,e){var r=e*Math.PI/180,n=t*Math.cos(r),i=t*Math.sin(r);return[n,i]},o.util.round=function(t,e){var r=e||2,n=Math.pow(10,r);return Math.round(t*n)/n},o.util.getMousePos=function(t){var e=i.mouse(t.node()),r=e[0],n=e[1],o={};return o.x=r,o.y=n,o.pos=e,o.angle=180*(Math.atan2(n,r)+Math.PI)/Math.PI,o.radius=Math.sqrt(r*r+n*n),o},o.util.duplicatesCount=function(t){for(var e,r={},n={},i=0,o=t.length;o>i;i++)e=t[i],e in r?(r[e]++,n[e]=r[e]):r[e]=1;return n},o.util.duplicates=function(t){return Object.keys(o.util.duplicatesCount(t))},o.util.translator=function(t,e,r,n){if(n){var i=r.slice();r=e,e=i}var o=e.reduce(function(t,e){return\"undefined\"!=typeof t?t[e]:void 0},t);\"undefined\"!=typeof o&&(e.reduce(function(t,r,n){return\"undefined\"!=typeof t?(n===e.length-1&&delete t[r],t[r]):void 0},t),r.reduce(function(t,e,n){return\"undefined\"==typeof t[e]&&(t[e]={}),n===r.length-1&&(t[e]=o),t[e]},t))},o.PolyChart=function(){function t(){var t=r[0].geometryConfig,e=t.container;\"string\"==typeof e&&(e=i.select(e)),e.datum(r).each(function(e,r){function n(e,r){var n=t.radialScale(e[1]),i=(t.angularScale(e[0])+t.orientation)*Math.PI/180;return{r:n,t:i}}function o(t){var e=t.r*Math.cos(t.t),r=t.r*Math.sin(t.t);return{x:e,y:r}}var a=!!e[0].data.yStack,l=e.map(function(t,e){return a?i.zip(t.data.t[0],t.data.r[0],t.data.yStack[0]):i.zip(t.data.t[0],t.data.r[0])}),u=t.angularScale,c=t.radialScale.domain()[0],h={};h.bar=function(r,n,o){var a=e[o].data,s=t.radialScale(r[1])-t.radialScale(0),l=t.radialScale(r[2]||0),c=a.barWidth;i.select(this).attr({\"class\":\"mark bar\",d:\"M\"+[[s+l,-c/2],[s+l,c/2],[l,c/2],[l,-c/2]].join(\"L\")+\"Z\",transform:function(e,r){return\"rotate(\"+(t.orientation+u(e[0]))+\")\"}})},h.dot=function(t,r,a){var s=t[2]?[t[0],t[1]+t[2]]:t,l=i.svg.symbol().size(e[a].data.dotSize).type(e[a].data.dotType)(t,r);i.select(this).attr({\"class\":\"mark dot\",d:l,transform:function(t,e){var r=o(n(s));return\"translate(\"+[r.x,r.y]+\")\"}})};var f=i.svg.line.radial().interpolate(e[0].data.lineInterpolation).radius(function(e){return t.radialScale(e[1])}).angle(function(e){return t.angularScale(e[0])*Math.PI/180});h.line=function(r,n,o){var a=r[2]?l[o].map(function(t,e){return[t[0],t[1]+t[2]]}):l[o];if(i.select(this).each(h.dot).style({opacity:function(t,r){return+e[o].data.dotVisible},fill:m.stroke(r,n,o)}).attr({\"class\":\"mark dot\"}),!(n>0)){var s=i.select(this.parentNode).selectAll(\"path.line\").data([0]);s.enter().insert(\"path\"),s.attr({\"class\":\"line\",d:f(a),transform:function(e,r){return\"rotate(\"+(t.orientation+90)+\")\"},\"pointer-events\":\"none\"}).style({fill:function(t,e){return m.fill(r,n,o)},\"fill-opacity\":0,stroke:function(t,e){return m.stroke(r,n,o)},\"stroke-width\":function(t,e){return m[\"stroke-width\"](r,n,o)},\"stroke-dasharray\":function(t,e){return m[\"stroke-dasharray\"](r,n,o)},opacity:function(t,e){return m.opacity(r,n,o)},display:function(t,e){return m.display(r,n,o)}})}};var d=t.angularScale.range(),p=Math.abs(d[1]-d[0])/l[0].length*Math.PI/180,v=i.svg.arc().startAngle(function(t){return-p/2}).endAngle(function(t){return p/2}).innerRadius(function(e){return t.radialScale(c+(e[2]||0))}).outerRadius(function(e){return t.radialScale(c+(e[2]||0))+t.radialScale(e[1])});h.arc=function(e,r,n){i.select(this).attr({\"class\":\"mark arc\",d:v,transform:function(e,r){return\"rotate(\"+(t.orientation+u(e[0])+90)+\")\"}})};var m={fill:function(t,r,n){return e[n].data.color},stroke:function(t,r,n){return e[n].data.strokeColor},\"stroke-width\":function(t,r,n){return e[n].data.strokeSize+\"px\"},\"stroke-dasharray\":function(t,r,n){return s[e[n].data.strokeDash]},opacity:function(t,r,n){return e[n].data.opacity},display:function(t,r,n){return\"undefined\"==typeof e[n].data.visible||e[n].data.visible?\"block\":\"none\"}},g=i.select(this).selectAll(\"g.layer\").data(l);g.enter().append(\"g\").attr({\"class\":\"layer\"});var y=g.selectAll(\"path.mark\").data(function(t,e){return t});y.enter().append(\"path\").attr({\"class\":\"mark\"}),y.style(m).each(h[t.geometryType]),y.exit().remove(),g.exit().remove()})}var e,r=[o.PolyChart.defaultConfig()],n=i.dispatch(\"hover\"),s={solid:\"none\",dash:[5,2],dot:[2,5]};return t.config=function(t){return arguments.length?(t.forEach(function(t,e){r[e]||(r[e]={}),a(r[e],o.PolyChart.defaultConfig()),a(r[e],t)}),this):r},t.getColorScale=function(){return e},i.rebind(t,n,\"on\"),t},o.PolyChart.defaultConfig=function(){var t={data:{name:\"geom1\",t:[[1,2,3,4]],r:[[1,2,3,4]],dotType:\"circle\",dotSize:64,dotVisible:!1,barWidth:20,color:\"#ffa500\",strokeSize:1,strokeColor:\"silver\",strokeDash:\"solid\",opacity:1,index:0,visible:!0,visibleInLegend:!0},geometryConfig:{geometry:\"LinePlot\",geometryType:\"arc\",direction:\"clockwise\",orientation:0,container:\"body\",radialScale:null,angularScale:null,colorScale:i.scale.category20()}};return t},o.BarChart=function(){return o.PolyChart()},o.BarChart.defaultConfig=function(){var t={geometryConfig:{geometryType:\"bar\"}};return t},o.AreaChart=function(){return o.PolyChart()},o.AreaChart.defaultConfig=function(){var t={geometryConfig:{geometryType:\"arc\"}};return t},o.DotPlot=function(){return o.PolyChart()},o.DotPlot.defaultConfig=function(){var t={geometryConfig:{geometryType:\"dot\",dotType:\"circle\"}};return t},o.LinePlot=function(){return o.PolyChart()},o.LinePlot.defaultConfig=function(){var t={geometryConfig:{geometryType:\"line\"}};return t},o.Legend=function(){function t(){var r=e.legendConfig,n=e.data.map(function(t,e){return[].concat(t).map(function(t,n){var i=a({},r.elements[e]);return i.name=t,i.color=[].concat(r.elements[e].color)[n],i})}),o=i.merge(n);o=o.filter(function(t,e){return r.elements[e]&&(r.elements[e].visibleInLegend||\"undefined\"==typeof r.elements[e].visibleInLegend)}),r.reverseOrder&&(o=o.reverse());var s=r.container;(\"string\"==typeof s||s.nodeName)&&(s=i.select(s));var l=o.map(function(t,e){return t.color}),u=r.fontSize,c=null==r.isContinuous?\"number\"==typeof o[0]:r.isContinuous,h=c?r.height:u*o.length,f=s.classed(\"legend-group\",!0),d=f.selectAll(\"svg\").data([0]),p=d.enter().append(\"svg\").attr({width:300,height:h+u,xmlns:\"http://www.w3.org/2000/svg\",\"xmlns:xlink\":\"http://www.w3.org/1999/xlink\",version:\"1.1\"});p.append(\"g\").classed(\"legend-axis\",!0),p.append(\"g\").classed(\"legend-marks\",!0);var v=i.range(o.length),m=i.scale[c?\"linear\":\"ordinal\"]().domain(v).range(l),g=i.scale[c?\"linear\":\"ordinal\"]().domain(v)[c?\"range\":\"rangePoints\"]([0,h]),y=function(t,e){var r=3*e;return\"line\"===t?\"M\"+[[-e/2,-e/12],[e/2,-e/12],[e/2,e/12],[-e/2,e/12]]+\"Z\":-1!=i.svg.symbolTypes.indexOf(t)?i.svg.symbol().type(t).size(r)():i.svg.symbol().type(\"square\").size(r)()};if(c){var b=d.select(\".legend-marks\").append(\"defs\").append(\"linearGradient\").attr({id:\"grad1\",x1:\"0%\",y1:\"0%\",x2:\"0%\",y2:\"100%\"}).selectAll(\"stop\").data(l);b.enter().append(\"stop\"),b.attr({offset:function(t,e){return e/(l.length-1)*100+\"%\"}}).style({\"stop-color\":function(t,e){return t}}),d.append(\"rect\").classed(\"legend-mark\",!0).attr({height:r.height,width:r.colorBandWidth,fill:\"url(#grad1)\"})}else{var x=d.select(\".legend-marks\").selectAll(\"path.legend-mark\").data(o);x.enter().append(\"path\").classed(\"legend-mark\",!0),x.attr({transform:function(t,e){return\"translate(\"+[u/2,g(e)+u/2]+\")\"},d:function(t,e){var r=t.symbol;return y(r,u)},fill:function(t,e){return m(e)}}),x.exit().remove()}var _=i.svg.axis().scale(g).orient(\"right\"),w=d.select(\"g.legend-axis\").attr({transform:\"translate(\"+[c?r.colorBandWidth:u,u/2]+\")\"}).call(_);return w.selectAll(\".domain\").style({fill:\"none\",stroke:\"none\"}),w.selectAll(\"line\").style({fill:\"none\",stroke:c?r.textColor:\"none\"}),w.selectAll(\"text\").style({fill:r.textColor,\"font-size\":r.fontSize}).text(function(t,e){return o[e].name}),t}var e=o.Legend.defaultConfig(),r=i.dispatch(\"hover\");return t.config=function(t){return arguments.length?(a(e,t),this):e},i.rebind(t,r,\"on\"),t},o.Legend.defaultConfig=function(t,e){var r={data:[\"a\",\"b\",\"c\"],legendConfig:{elements:[{symbol:\"line\",color:\"red\"},{symbol:\"square\",color:\"yellow\"},{symbol:\"diamond\",color:\"limegreen\"}],height:150,colorBandWidth:30,fontSize:12,container:\"body\",isContinuous:null,textColor:\"grey\",reverseOrder:!1}};return r},o.tooltipPanel=function(){var t,e,r,n={container:null,hasTick:!1,fontSize:12,color:\"white\",padding:5},s=\"tooltip-\"+o.tooltipPanel.uid++,l=10,u=function(){t=n.container.selectAll(\"g.\"+s).data([0]);var i=t.enter().append(\"g\").classed(s,!0).style({\"pointer-events\":\"none\",display:\"none\"});return r=i.append(\"path\").style({fill:\"white\",\"fill-opacity\":.9}).attr({d:\"M0 0\"}),e=i.append(\"text\").attr({dx:n.padding+l,dy:.3*+n.fontSize}),u};return u.text=function(o){var a=i.hsl(n.color).l,s=a>=.5?\"#aaa\":\"white\",c=a>=.5?\"black\":\"white\",h=o||\"\";e.style({fill:c,\"font-size\":n.fontSize+\"px\"}).text(h);var f=n.padding,d=e.node().getBBox(),p={fill:n.color,stroke:s,\"stroke-width\":\"2px\"},v=d.width+2*f+l,m=d.height+2*f;return r.attr({d:\"M\"+[[l,-m/2],[l,-m/4],[n.hasTick?0:l,0],[l,m/4],[l,m/2],[v,m/2],[v,-m/2]].join(\"L\")+\"Z\"}).style(p),t.attr({transform:\"translate(\"+[l,-m/2+2*f]+\")\"}),t.style({display:\"block\"}),u},u.move=function(e){return t?(t.attr({transform:\"translate(\"+[e[0],e[1]]+\")\"}).style({display:\"block\"}),u):void 0},u.hide=function(){return t?(t.style({display:\"none\"}),u):void 0},u.show=function(){return t?(t.style({display:\"block\"}),u):void 0},u.config=function(t){return a(n,t),u},u},o.tooltipPanel.uid=1,o.adapter={},o.adapter.plotly=function(){var t={};return t.convert=function(t,e){var r={};if(t.data&&(r.data=t.data.map(function(t,r){var n=a({},t),i=[[n,[\"marker\",\"color\"],[\"color\"]],[n,[\"marker\",\"opacity\"],[\"opacity\"]],[n,[\"marker\",\"line\",\"color\"],[\"strokeColor\"]],[n,[\"marker\",\"line\",\"dash\"],[\"strokeDash\"]],[n,[\"marker\",\"line\",\"width\"],[\"strokeSize\"]],[n,[\"marker\",\"symbol\"],[\"dotType\"]],[n,[\"marker\",\"size\"],[\"dotSize\"]],[n,[\"marker\",\"barWidth\"],[\"barWidth\"]],[n,[\"line\",\"interpolation\"],[\"lineInterpolation\"]],[n,[\"showlegend\"],[\"visibleInLegend\"]]];return i.forEach(function(t,r){o.util.translator.apply(null,t.concat(e))}),e||delete n.marker,e&&delete n.groupId,e?(\"LinePlot\"===n.geometry?(n.type=\"scatter\",n.dotVisible===!0?(delete n.dotVisible,n.mode=\"lines+markers\"):n.mode=\"lines\"):\"DotPlot\"===n.geometry?(n.type=\"scatter\",n.mode=\"markers\"):\"AreaChart\"===n.geometry?n.type=\"area\":\"BarChart\"===n.geometry&&(n.type=\"bar\"),delete n.geometry):(\"scatter\"===n.type?\"lines\"===n.mode?n.geometry=\"LinePlot\":\"markers\"===n.mode?n.geometry=\"DotPlot\":\"lines+markers\"===n.mode&&(n.geometry=\"LinePlot\",n.dotVisible=!0):\"area\"===n.type?n.geometry=\"AreaChart\":\"bar\"===n.type&&(n.geometry=\"BarChart\"),delete n.mode,delete n.type),n}),!e&&t.layout&&\"stack\"===t.layout.barmode)){var n=o.util.duplicates(r.data.map(function(t,e){return t.geometry}));r.data.forEach(function(t,e){var i=n.indexOf(t.geometry);-1!=i&&(r.data[e].groupId=i)})}if(t.layout){var s=a({},t.layout),l=[[s,[\"plot_bgcolor\"],[\"backgroundColor\"]],[s,[\"showlegend\"],[\"showLegend\"]],[s,[\"radialaxis\"],[\"radialAxis\"]],[s,[\"angularaxis\"],[\"angularAxis\"]],[s.angularaxis,[\"showline\"],[\"gridLinesVisible\"]],[s.angularaxis,[\"showticklabels\"],[\"labelsVisible\"]],[s.angularaxis,[\"nticks\"],[\"ticksCount\"]],[s.angularaxis,[\"tickorientation\"],[\"tickOrientation\"]],[s.angularaxis,[\"ticksuffix\"],[\"ticksSuffix\"]],[s.angularaxis,[\"range\"],[\"domain\"]],[s.angularaxis,[\"endpadding\"],[\"endPadding\"]],[s.radialaxis,[\"showline\"],[\"gridLinesVisible\"]],[s.radialaxis,[\"tickorientation\"],[\"tickOrientation\"]],[s.radialaxis,[\"ticksuffix\"],[\"ticksSuffix\"]],[s.radialaxis,[\"range\"],[\"domain\"]],[s.angularAxis,[\"showline\"],[\"gridLinesVisible\"]],[s.angularAxis,[\"showticklabels\"],[\"labelsVisible\"]],[s.angularAxis,[\"nticks\"],[\"ticksCount\"]],[s.angularAxis,[\"tickorientation\"],[\"tickOrientation\"]],[s.angularAxis,[\"ticksuffix\"],[\"ticksSuffix\"]],[s.angularAxis,[\"range\"],[\"domain\"]],[s.angularAxis,[\"endpadding\"],[\"endPadding\"]],[s.radialAxis,[\"showline\"],[\"gridLinesVisible\"]],[s.radialAxis,[\"tickorientation\"],[\"tickOrientation\"]],[s.radialAxis,[\"ticksuffix\"],[\"ticksSuffix\"]],[s.radialAxis,[\"range\"],[\"domain\"]],[s.font,[\"outlinecolor\"],[\"outlineColor\"]],[s.legend,[\"traceorder\"],[\"reverseOrder\"]],[s,[\"labeloffset\"],[\"labelOffset\"]],[s,[\"defaultcolorrange\"],[\"defaultColorRange\"]]];if(l.forEach(function(t,r){o.util.translator.apply(null,t.concat(e))}),e?(\"undefined\"!=typeof s.tickLength&&(s.angularaxis.ticklen=s.tickLength,delete s.tickLength),s.tickColor&&(s.angularaxis.tickcolor=s.tickColor,delete s.tickColor)):(s.angularAxis&&\"undefined\"!=typeof s.angularAxis.ticklen&&(s.tickLength=s.angularAxis.ticklen),s.angularAxis&&\"undefined\"!=typeof s.angularAxis.tickcolor&&(s.tickColor=s.angularAxis.tickcolor)),s.legend&&\"boolean\"!=typeof s.legend.reverseOrder&&(s.legend.reverseOrder=\"normal\"!=s.legend.reverseOrder),s.legend&&\"boolean\"==typeof s.legend.traceorder&&(s.legend.traceorder=s.legend.traceorder?\"reversed\":\"normal\",delete s.legend.reverseOrder),s.margin&&\"undefined\"!=typeof s.margin.t){var u=[\"t\",\"r\",\"b\",\"l\",\"pad\"],c=[\"top\",\"right\",\"bottom\",\"left\",\"pad\"],h={};i.entries(s.margin).forEach(function(t,e){h[c[u.indexOf(t.key)]]=t.value}),s.margin=h}e&&(delete s.needsEndSpacing,delete s.minorTickColor,delete s.minorTicks,delete s.angularaxis.ticksCount,delete s.angularaxis.ticksCount,delete s.angularaxis.ticksStep,delete s.angularaxis.rewriteTicks,delete s.angularaxis.nticks,delete s.radialaxis.ticksCount,delete s.radialaxis.ticksCount,delete s.radialaxis.ticksStep,delete s.radialaxis.rewriteTicks,delete s.radialaxis.nticks),r.layout=s}return r},t}},{\"../../plotly\":589,\"./micropolar_manager\":652,d3:119}],652:[function(t,e,r){\"use strict\";var n=t(\"../../plotly\"),i=t(\"d3\"),o=t(\"./undo_manager\"),a=e.exports={},s=n.Lib.extendDeepAll;a.framework=function(t){function e(e,o){return o&&(h=o),i.select(i.select(h).node().parentNode).selectAll(\".svg-container>*:not(.chart-root)\").remove(),r=r?s(r,e):e,u||(u=n.micropolar.Axis()),c=n.micropolar.adapter.plotly().convert(r),u.config(c).render(h),t.data=r.data,t.layout=r.layout,a.fillLayout(t),r}var r,l,u,c,h,f=new o;return e.isPolar=!0,e.svg=function(){return u.svg()},e.getConfig=function(){return r},e.getLiveConfig=function(){return n.micropolar.adapter.plotly().convert(u.getLiveConfig(),!0)},e.getLiveScales=function(){return{t:u.angularScale(),r:u.radialScale()}},e.setUndoPoint=function(){var t=this,e=n.micropolar.util.cloneJson(r);!function(e,r){f.add({undo:function(){r&&t(r)},redo:function(){t(e)}})}(e,l),l=n.micropolar.util.cloneJson(e)},e.undo=function(){f.undo()},e.redo=function(){f.redo()},e},a.fillLayout=function(t){var e=i.select(t).selectAll(\".plot-container\"),r=e.selectAll(\".svg-container\"),o=t.framework&&t.framework.svg&&t.framework.svg(),a={width:800,height:600,paper_bgcolor:n.Color.background,_container:e,_paperdiv:r,_paper:o};t._fullLayout=s(a,t.layout)}},{\"../../plotly\":589,\"./undo_manager\":653,d3:119}],653:[function(t,e,r){\"use strict\";e.exports=function(){function t(t,e){return t?(i=!0,t[e](),i=!1,this):this}var e,r=[],n=-1,i=!1;return{add:function(t){return i?this:(r.splice(n+1,r.length-n),r.push(t),n=r.length-1,this)},setCallback:function(t){e=t},undo:function(){var i=r[n];return i?(t(i,\"undo\"),n-=1,e&&e(i.undo),this):this},redo:function(){var i=r[n+1];return i?(t(i,\"redo\"),n+=1,e&&e(i.redo),this):this},clear:function(){r=[],n=-1},hasUndo:function(){return-1!==n},hasRedo:function(){return n<r.length-1},getCommands:function(){return r},getPreviousCommand:function(){return r[n-1]},getIndex:function(){return n}}}},{}],654:[function(t,e,r){\"use strict\";var n=t(\"../lib\"),i=t(\"./plots\");e.exports=function(t,e,r,o){function a(t,e){return n.coerce(s,l,c,t,e)}for(var s,l,u=o.type,c=o.attributes,h=o.handleDefaults,f=o.partition||\"x\",d=i.findSubplotIds(r,u),p=d.length,v=0;p>v;v++){var m=d[v];s=t[m]?t[m]:t[m]={},e[m]=l={},a(\"domain.\"+f,[v/p,(v+1)/p]),a(\"domain.\"+{x:\"y\",y:\"x\"}[f]),o.id=m,h(s,l,a,o)}}},{\"../lib\":568,\"./plots\":648}],655:[function(t,e,r){\"use strict\";var n=t(\"./ternary\"),i=t(\"../../plots/plots\");r.name=\"ternary\",r.attr=\"subplot\",r.idRoot=\"ternary\",r.idRegex=/^ternary([2-9]|[1-9][0-9]+)?$/,r.attrRegex=/^ternary([2-9]|[1-9][0-9]+)?$/,r.attributes=t(\"./layout/attributes\"),r.layoutAttributes=t(\"./layout/layout_attributes\"),r.supplyLayoutDefaults=t(\"./layout/defaults\"),r.plot=function(t){for(var e=t._fullLayout,r=t._fullData,o=i.getSubplotIds(e,\"ternary\"),a=0;a<o.length;a++){var s=o[a],l=i.getSubplotData(r,\"ternary\",s),u=e[s]._subplot;void 0===u&&(u=new n({id:s,graphDiv:t,container:e._ternarylayer.node()},e),e[s]._subplot=u),u.plot(l,e,t._promises)}},r.clean=function(t,e,r,n){for(var o=i.getSubplotIds(n,\"ternary\"),a=0;a<o.length;a++){var s=o[a],l=n[s]._subplot;!e[s]&&l&&(l.plotContainer.remove(),l.clipDef.remove())}}},{\"../../plots/plots\":648,\"./layout/attributes\":656,\"./layout/defaults\":659,\"./layout/layout_attributes\":660,\"./ternary\":661}],656:[function(t,e,r){\"use strict\";e.exports={subplot:{valType:\"subplotid\",dflt:\"ternary\"}}},{}],657:[function(t,e,r){\"use strict\";var n=t(\"../../cartesian/layout_attributes\"),i=t(\"../../../lib/extend\").extendFlat;e.exports={title:n.title,titlefont:n.titlefont,color:n.color,tickmode:n.tickmode,nticks:i({},n.nticks,{dflt:6,min:1}),tick0:n.tick0,dtick:n.dtick,tickvals:n.tickvals,ticktext:n.ticktext,ticks:n.ticks,ticklen:n.ticklen,tickwidth:n.tickwidth,tickcolor:n.tickcolor,showticklabels:n.showticklabels,showtickprefix:n.showtickprefix,tickprefix:n.tickprefix,showticksuffix:n.showticksuffix,ticksuffix:n.ticksuffix,showexponent:n.showexponent,exponentformat:n.exponentformat,tickfont:n.tickfont,tickangle:n.tickangle,tickformat:n.tickformat,hoverformat:n.hoverformat,showline:i({},n.showline,{dflt:!0}),linecolor:n.linecolor,linewidth:n.linewidth,showgrid:i({},n.showgrid,{dflt:!0}),gridcolor:n.gridcolor,gridwidth:n.gridwidth,min:{valType:\"number\",dflt:0,min:0}}},{\"../../../lib/extend\":563,\"../../cartesian/layout_attributes\":601}],658:[function(t,e,r){\"use strict\";var n=t(\"tinycolor2\").mix,i=t(\"../../../lib\"),o=t(\"./axis_attributes\"),a=t(\"../../cartesian/tick_label_defaults\"),s=t(\"../../cartesian/tick_mark_defaults\"),l=t(\"../../cartesian/tick_value_defaults\");e.exports=function(t,e,r){function u(r,n){return i.coerce(t,e,o,r,n)}e.type=\"linear\";var c=u(\"color\"),h=c===t.color?c:r.font.color,f=e._name,d=f.charAt(0).toUpperCase(),p=\"Component \"+d,v=u(\"title\",p);e._hovertitle=v===p?v:d,i.coerceFont(u,\"titlefont\",{family:r.font.family,size:Math.round(1.2*r.font.size),color:h}),u(\"min\"),l(t,e,u,\"linear\"),a(t,e,u,\"linear\",{noHover:!1}),s(t,e,u,{outerTicks:!0});var m=u(\"showticklabels\");m&&(i.coerceFont(u,\"tickfont\",{family:r.font.family,size:r.font.size,color:h}),u(\"tickangle\"),u(\"tickformat\")),u(\"hoverformat\");var g=u(\"showline\");g&&(u(\"linecolor\",c),u(\"linewidth\"));var y=u(\"showgrid\");y&&(u(\"gridcolor\",n(c,r.bgColor,60).toRgbString()),u(\"gridwidth\"))}},{\"../../../lib\":568,\"../../cartesian/tick_label_defaults\":607,\"../../cartesian/tick_mark_defaults\":608,\"../../cartesian/tick_value_defaults\":609,\"./axis_attributes\":657,tinycolor2:454}],659:[function(t,e,r){\"use strict\";function n(t,e,r,n){var o=r(\"bgcolor\"),a=r(\"sum\");n.bgColor=i.combine(o,n.paper_bgcolor);for(var u,c,h,f=0;f<l.length;f++)u=l[f],c=t[u]||{},h=e[u]={_name:u},s(c,h,n);var d=e.aaxis,p=e.baxis,v=e.caxis;d.min+p.min+v.min>=a&&(d.min=0,p.min=0,v.min=0,t.aaxis&&delete t.aaxis.min,t.baxis&&delete t.baxis.min,t.caxis&&delete t.caxis.min)}var i=t(\"../../../components/color\"),o=t(\"../../subplot_defaults\"),a=t(\"./layout_attributes\"),s=t(\"./axis_defaults\"),l=[\"aaxis\",\"baxis\",\"caxis\"];e.exports=function(t,e,r){o(t,e,r,{type:\"ternary\",attributes:a,handleDefaults:n,font:e.font,paper_bgcolor:e.paper_bgcolor})}},{\"../../../components/color\":483,\"../../subplot_defaults\":654,\"./axis_defaults\":658,\"./layout_attributes\":660}],660:[function(t,e,r){\"use strict\";var n=t(\"../../../components/color/attributes\"),i=t(\"./axis_attributes\");e.exports={domain:{x:{valType:\"info_array\",items:[{valType:\"number\",min:0,max:1},{valType:\"number\",min:0,max:1}],dflt:[0,1]},y:{valType:\"info_array\",items:[{valType:\"number\",min:0,max:1},{valType:\"number\",min:0,max:1}],dflt:[0,1]}},bgcolor:{valType:\"color\",dflt:n.background},sum:{valType:\"number\",dflt:1,min:0},aaxis:i,baxis:i,caxis:i}},{\"../../../components/color/attributes\":482,\"./axis_attributes\":657}],661:[function(t,e,r){\"use strict\";function n(t,e){this.id=t.id,this.graphDiv=t.graphDiv,this.init(e),this.makeFramework()}function i(t){o.select(t).selectAll(\".zoombox,.js-zoombox-backdrop,.js-zoombox-menu,.zoombox-corners\").remove()}var o=t(\"d3\"),a=t(\"tinycolor2\"),s=t(\"../../plotly\"),l=t(\"../../lib\"),u=t(\"../../components/color\"),c=t(\"../../components/drawing\"),h=t(\"../cartesian/set_convert\"),f=t(\"../../lib/extend\").extendFlat,d=t(\"../cartesian/axes\"),p=t(\"../../lib/filter_visible\"),v=t(\"../../components/dragelement\"),m=t(\"../../components/titles\"),g=t(\"../cartesian/select\"),y=t(\"../cartesian/constants\"),b=t(\"../cartesian/graph_interact\");e.exports=n;var x=n.prototype;x.init=function(t){this.container=t._ternarylayer,this.defs=t._defs,this.layoutId=t._uid,this.traceHash={}},x.plot=function(t,e){var r,n=this,i=e[n.id],o=e._size;l.getPlotDiv(n.plotContainer.node())!==n.graphDiv&&(n.init(n.graphDiv._fullLayout),n.makeFramework()),n.adjustLayout(i,o);var a=n.traceHash,s={};for(r=0;r<t.length;r++){var c=t[r];s[c.type]=s[c.type]||[],s[c.type].push(c)}var h=Object.keys(a),f=Object.keys(s);for(r=0;r<h.length;r++){var d=h[r];if(-1===f.indexOf(d)){var v=a[d][0];v.visible=!1,s[d]=[v]}}for(f=Object.keys(s),r=0;r<f.length;r++){var m=s[f[r]],g=m[0]._module;g.plot(n,p(m),i)}n.traceHash=s,n.layers.plotbg.select(\"path\").call(u.fill,i.bgcolor)},x.makeFramework=function(){var t=this,e=t.defs.selectAll(\"g.clips\").data([0]);e.enter().append(\"g\").classed(\"clips\",!0);var r=\"clip\"+t.layoutId+t.id;t.clipDef=e.selectAll(\"#\"+r).data([0]),t.clipDef.enter().append(\"clipPath\").attr(\"id\",r).append(\"path\").attr(\"d\",\"M0,0Z\"),t.plotContainer=t.container.selectAll(\"g.\"+t.id).data([0]),t.plotContainer.enter().append(\"g\").classed(t.id,!0),t.layers={};var n=[\"draglayer\",\"plotbg\",\"backplot\",\"grids\",\"frontplot\",\"zoom\",\"aaxis\",\"baxis\",\"caxis\",\"axlines\"],i=t.plotContainer.selectAll(\"g.toplevel\").data(n);i.enter().append(\"g\").attr(\"class\",function(t){return\"toplevel \"+t}).each(function(e){var r=o.select(this);t.layers[e]=r,\"frontplot\"===e?r.append(\"g\").classed(\"scatterlayer\",!0):\"backplot\"===e?r.append(\"g\").classed(\"maplayer\",!0):\"plotbg\"===e?r.append(\"path\").attr(\"d\",\"M0,0Z\"):\"axlines\"===e&&r.selectAll(\"path\").data([\"aline\",\"bline\",\"cline\"]).enter().append(\"path\").each(function(t){o.select(this).classed(t,!0)})});var a=t.plotContainer.select(\".grids\").selectAll(\"g.grid\").data([\"agrid\",\"bgrid\",\"cgrid\"]);a.enter().append(\"g\").attr(\"class\",function(t){return\"grid \"+t}).each(function(e){t.layers[e]=o.select(this)}),t.plotContainer.selectAll(\".backplot,.frontplot,.grids\").call(c.setClipUrl,r),t.graphDiv._context.staticPlot||t.initInteractions()};var _=Math.sqrt(4/3);x.adjustLayout=function(t,e){var r,n,i,o,a,s,l=this,c=t.domain,d=(c.x[0]+c.x[1])/2,p=(c.y[0]+c.y[1])/2,v=c.x[1]-c.x[0],m=c.y[1]-c.y[0],g=v*e.w,y=m*e.h,b=t.sum,x=t.aaxis.min,w=t.baxis.min,M=t.caxis.min;\ng>_*y?(o=y,i=o*_):(i=g,o=i/_),a=v*i/g,s=m*o/y,r=e.l+e.w*d-i/2,n=e.t+e.h*(1-p)-o/2,l.x0=r,l.y0=n,l.w=i,l.h=o,l.sum=b,l.xaxis={type:\"linear\",range:[x+2*M-b,b-x-2*w],domain:[d-a/2,d+a/2],_id:\"x\",_gd:l.graphDiv},h(l.xaxis),l.xaxis.setScale(),l.yaxis={type:\"linear\",range:[x,b-w-M],domain:[p-s/2,p+s/2],_id:\"y\",_gd:l.graphDiv},h(l.yaxis),l.yaxis.setScale();var k=l.yaxis.domain[0],A=l.aaxis=f({},t.aaxis,{range:[x,b-w-M],side:\"left\",_counterangle:30,tickangle:(+t.aaxis.tickangle||0)-30,domain:[k,k+s*_],_axislayer:l.layers.aaxis,_gridlayer:l.layers.agrid,_pos:0,_gd:l.graphDiv,_id:\"y\",_length:i,_gridpath:\"M0,0l\"+o+\",-\"+i/2});h(A);var T=l.baxis=f({},t.baxis,{range:[b-x-M,w],side:\"bottom\",_counterangle:30,domain:l.xaxis.domain,_axislayer:l.layers.baxis,_gridlayer:l.layers.bgrid,_counteraxis:l.aaxis,_pos:0,_gd:l.graphDiv,_id:\"x\",_length:i,_gridpath:\"M0,0l-\"+i/2+\",-\"+o});h(T),A._counteraxis=T;var E=l.caxis=f({},t.caxis,{range:[b-x-w,M],side:\"right\",_counterangle:30,tickangle:(+t.caxis.tickangle||0)+30,domain:[k,k+s*_],_axislayer:l.layers.caxis,_gridlayer:l.layers.cgrid,_counteraxis:l.baxis,_pos:0,_gd:l.graphDiv,_id:\"y\",_length:i,_gridpath:\"M0,0l-\"+o+\",\"+i/2});h(E);var S=\"M\"+r+\",\"+(n+o)+\"h\"+i+\"l-\"+i/2+\",-\"+o+\"Z\";l.clipDef.select(\"path\").attr(\"d\",S),l.layers.plotbg.select(\"path\").attr(\"d\",S);var L=\"translate(\"+r+\",\"+n+\")\";l.plotContainer.selectAll(\".scatterlayer,.maplayer,.zoom\").attr(\"transform\",L);var z=\"translate(\"+r+\",\"+(n+o)+\")\";l.layers.baxis.attr(\"transform\",z),l.layers.bgrid.attr(\"transform\",z);var I=\"translate(\"+(r+i/2)+\",\"+n+\")rotate(30)\";l.layers.aaxis.attr(\"transform\",I),l.layers.agrid.attr(\"transform\",I);var P=\"translate(\"+(r+i/2)+\",\"+n+\")rotate(-30)\";l.layers.caxis.attr(\"transform\",P),l.layers.cgrid.attr(\"transform\",P),l.drawAxes(!0),l.plotContainer.selectAll(\".crisp\").classed(\"crisp\",!1);var C=l.layers.axlines;C.select(\".aline\").attr(\"d\",A.showline?\"M\"+r+\",\"+(n+o)+\"l\"+i/2+\",-\"+o:\"M0,0\").call(u.stroke,A.linecolor||\"#000\").style(\"stroke-width\",(A.linewidth||0)+\"px\"),C.select(\".bline\").attr(\"d\",T.showline?\"M\"+r+\",\"+(n+o)+\"h\"+i:\"M0,0\").call(u.stroke,T.linecolor||\"#000\").style(\"stroke-width\",(T.linewidth||0)+\"px\"),C.select(\".cline\").attr(\"d\",E.showline?\"M\"+(r+i/2)+\",\"+n+\"l\"+i/2+\",\"+o:\"M0,0\").call(u.stroke,E.linecolor||\"#000\").style(\"stroke-width\",(E.linewidth||0)+\"px\")},x.drawAxes=function(t){var e=this,r=e.graphDiv,n=e.id.substr(7)+\"title\",i=e.aaxis,o=e.baxis,a=e.caxis;if(d.doTicks(r,i,!0),d.doTicks(r,o,!0),d.doTicks(r,a,!0),t){var s=Math.max(i.showticklabels?i.tickfont.size/2:0,(a.showticklabels?.75*a.tickfont.size:0)+(\"outside\"===a.ticks?.87*a.ticklen:0));m.draw(r,\"a\"+n,{propContainer:i,propName:e.id+\".aaxis.title\",dfltName:\"Component A\",attributes:{x:e.x0+e.w/2,y:e.y0-i.titlefont.size/3-s,\"text-anchor\":\"middle\"}});var l=(o.showticklabels?o.tickfont.size:0)+(\"outside\"===o.ticks?o.ticklen:0)+3;m.draw(r,\"b\"+n,{propContainer:o,propName:e.id+\".baxis.title\",dfltName:\"Component B\",attributes:{x:e.x0-l,y:e.y0+e.h+.83*o.titlefont.size+l,\"text-anchor\":\"middle\"}}),m.draw(r,\"c\"+n,{propContainer:a,propName:e.id+\".caxis.title\",dfltName:\"Component C\",attributes:{x:e.x0+e.w+l,y:e.y0+e.h+.83*a.titlefont.size+l,\"text-anchor\":\"middle\"}})}};var w=y.MINZOOM/2+.87,M=\"m-0.87,.5h\"+w+\"v3h-\"+(w+5.2)+\"l\"+(w/2+2.6)+\",-\"+(.87*w+4.5)+\"l2.6,1.5l-\"+w/2+\",\"+.87*w+\"Z\",k=\"m0.87,.5h-\"+w+\"v3h\"+(w+5.2)+\"l-\"+(w/2+2.6)+\",-\"+(.87*w+4.5)+\"l-2.6,1.5l\"+w/2+\",\"+.87*w+\"Z\",A=\"m0,1l\"+w/2+\",\"+.87*w+\"l2.6,-1.5l-\"+(w/2+2.6)+\",-\"+(.87*w+4.5)+\"l-\"+(w/2+2.6)+\",\"+(.87*w+4.5)+\"l2.6,1.5l\"+w/2+\",-\"+.87*w+\"Z\",T=\"m0.5,0.5h5v-2h-5v-5h-2v5h-5v2h5v5h2Z\",E=!0;x.initInteractions=function(){function t(t,e,r){var n=F.getBoundingClientRect();x=e-n.left,w=r-n.top,S={a:O.aaxis.range[0],b:O.baxis.range[1],c:O.caxis.range[1]},z=S,L=O.aaxis.range[1]-S.a,I=a(O.graphDiv._fullLayout[O.id].bgcolor).getLuminance(),P=\"M0,\"+O.h+\"L\"+O.w/2+\", 0L\"+O.w+\",\"+O.h+\"Z\",C=!1,R=N.append(\"path\").attr(\"class\",\"zoombox\").style({fill:I>.2?\"rgba(0,0,0,0)\":\"rgba(255,255,255,0)\",\"stroke-width\":0}).attr(\"d\",P),D=N.append(\"path\").attr(\"class\",\"zoombox-corners\").style({fill:u.background,stroke:u.defaultLine,\"stroke-width\":1,opacity:0}).attr(\"d\",\"M0,0Z\"),p()}function e(t,e){return 1-e/O.h}function r(t,e){return 1-(t+(O.h-e)/Math.sqrt(3))/O.w}function n(t,e){return(t-(O.h-e)/Math.sqrt(3))/O.w}function o(t,i){var o=x+t,a=w+i,s=Math.max(0,Math.min(1,e(x,w),e(o,a))),l=Math.max(0,Math.min(1,r(x,w),r(o,a))),u=Math.max(0,Math.min(1,n(x,w),n(o,a))),c=(s/2+u)*O.w,h=(1-s/2-l)*O.w,f=(c+h)/2,d=h-c,p=(1-s)*O.h,v=p-d/_;d<y.MINZOOM?(z=S,R.attr(\"d\",P),D.attr(\"d\",\"M0,0Z\")):(z={a:S.a+s*L,b:S.b+l*L,c:S.c+u*L},R.attr(\"d\",P+\"M\"+c+\",\"+p+\"H\"+h+\"L\"+f+\",\"+v+\"L\"+c+\",\"+p+\"Z\"),D.attr(\"d\",\"M\"+x+\",\"+w+T+\"M\"+c+\",\"+p+M+\"M\"+h+\",\"+p+k+\"M\"+f+\",\"+v+A)),C||(R.transition().style(\"fill\",I>.2?\"rgba(0,0,0,0.4)\":\"rgba(255,255,255,0.3)\").duration(200),D.transition().style(\"opacity\",1).duration(200),C=!0)}function c(t,e){if(z===S)return 2===e&&m(),i(j);i(j);var r={};r[O.id+\".aaxis.min\"]=z.a,r[O.id+\".baxis.min\"]=z.b,r[O.id+\".caxis.min\"]=z.c,s.relayout(j,r),E&&j.data&&j._context.showTips&&(l.notifier(\"Double-click to<br>zoom back out\",\"long\"),E=!1)}function h(){S={a:O.aaxis.range[0],b:O.baxis.range[1],c:O.caxis.range[1]},z=S}function f(t,e){var r=t/O.xaxis._m,n=e/O.yaxis._m;z={a:S.a-n,b:S.b+(r+n)/2,c:S.c-(r-n)/2};var i=[z.a,z.b,z.c].sort(),o={a:i.indexOf(z.a),b:i.indexOf(z.b),c:i.indexOf(z.c)};i[0]<0&&(i[1]+i[0]/2<0?(i[2]+=i[0]+i[1],i[0]=i[1]=0):(i[2]+=i[0]/2,i[1]+=i[0]/2,i[0]=0),z={a:i[o.a],b:i[o.b],c:i[o.c]},e=(S.a-z.a)*O.yaxis._m,t=(S.c-z.c-S.b+z.b)*O.xaxis._m);var a=\"translate(\"+(O.x0+t)+\",\"+(O.y0+e)+\")\";O.plotContainer.selectAll(\".scatterlayer,.maplayer\").attr(\"transform\",a),O.aaxis.range=[z.a,O.sum-z.b-z.c],O.baxis.range=[O.sum-z.a-z.c,z.b],O.caxis.range=[O.sum-z.a-z.b,z.c],O.drawAxes(!1),O.plotContainer.selectAll(\".crisp\").classed(\"crisp\",!1)}function d(t,e){if(t){var r={};r[O.id+\".aaxis.min\"]=z.a,r[O.id+\".baxis.min\"]=z.b,r[O.id+\".caxis.min\"]=z.c,s.relayout(j,r)}else 2===e&&m()}function p(){O.plotContainer.selectAll(\".select-outline\").remove()}function m(){var t={};t[O.id+\".aaxis.min\"]=0,t[O.id+\".baxis.min\"]=0,t[O.id+\".caxis.min\"]=0,j.emit(\"plotly_doubleclick\",null),s.relayout(j,t)}var x,w,S,L,z,I,P,C,R,D,O=this,F=O.layers.plotbg.select(\"path\").node(),j=O.graphDiv,N=O.layers.zoom,B={element:F,gd:j,plotinfo:{plot:N},doubleclick:m,subplot:O.id,prepFn:function(e,r,n){B.xaxes=[O.xaxis],B.yaxes=[O.yaxis];var i=j._fullLayout.dragmode;e.shiftKey&&(i=\"pan\"===i?\"zoom\":\"pan\"),\"lasso\"===i?B.minDrag=1:B.minDrag=void 0,\"zoom\"===i?(B.moveFn=o,B.doneFn=c,t(e,r,n)):\"pan\"===i?(B.moveFn=f,B.doneFn=d,h(),p()):\"select\"!==i&&\"lasso\"!==i||g(e,r,n,B,i)}};F.onmousemove=function(t){b.hover(j,t,O.id),j._fullLayout._lasthover=F,j._fullLayout._hoversubplot=O.id},F.onmouseout=function(t){j._dragging||v.unhover(j,t)},F.onclick=function(t){b.click(j,t)},v.init(B)}},{\"../../components/color\":483,\"../../components/dragelement\":504,\"../../components/drawing\":506,\"../../components/titles\":546,\"../../lib\":568,\"../../lib/extend\":563,\"../../lib/filter_visible\":564,\"../../plotly\":589,\"../cartesian/axes\":592,\"../cartesian/constants\":597,\"../cartesian/graph_interact\":599,\"../cartesian/select\":605,\"../cartesian/set_convert\":606,d3:119,tinycolor2:454}],662:[function(t,e,r){\"use strict\";function n(t){var e;switch(t){case\"themes__thumb\":e={autosize:!0,width:150,height:150,title:\"\",showlegend:!1,margin:{l:5,r:5,t:5,b:5,pad:0},annotations:[]};break;case\"thumbnail\":e={title:\"\",hidesources:!0,showlegend:!1,borderwidth:0,bordercolor:\"\",margin:{l:1,r:1,t:1,b:1,pad:0},annotations:[]};break;default:e={}}return e}function i(t){var e=[\"xaxis\",\"yaxis\",\"zaxis\"];return e.indexOf(t.slice(0,5))>-1}var o=t(\"../plotly\"),a=o.Lib.extendFlat,s=o.Lib.extendDeep;e.exports=function(t,e){t.framework&&t.framework.isPolar&&(t=t.framework.getConfig());var r,l=t.data,u=t.layout,c=s([],l),h=s({},u,n(e.tileClass));if(e.width&&(h.width=e.width),e.height&&(h.height=e.height),\"thumbnail\"===e.tileClass||\"themes__thumb\"===e.tileClass){h.annotations=[];var f=Object.keys(h);for(r=0;r<f.length;r++)i(f[r])&&(h[f[r]].title=\"\");for(r=0;r<c.length;r++){var d=c[r];d.showscale=!1,d.marker&&(d.marker.showscale=!1),\"pie\"===d.type&&(d.textposition=\"none\")}}if(Array.isArray(e.annotations))for(r=0;r<e.annotations.length;r++)h.annotations.push(e.annotations[r]);var p=o.Plots.getSubplotIds(h,\"gl3d\");if(p.length){var v={};for(\"thumbnail\"===e.tileClass&&(v={title:\"\",showaxeslabels:!1,showticklabels:!1,linetickenable:!1}),r=0;r<p.length;r++){var m=p[r];a(h[m].xaxis,v),a(h[m].yaxis,v),a(h[m].zaxis,v),h[m]._scene=null}}var g=document.createElement(\"div\");e.tileClass&&(g.className=e.tileClass);var y={td:g,layout:h,data:c,config:{staticPlot:void 0===e.staticPlot?!0:e.staticPlot,plotGlPixelRatio:void 0===e.plotGlPixelRatio?2:e.plotGlPixelRatio,displaylogo:e.displaylogo||!1,showLink:e.showLink||!1,showTips:e.showTips||!1}};return\"transparent\"!==e.setBackground&&(y.config.setBackground=e.setBackground||\"opaque\"),y.td.defaultLayout=n(e.tileClass),y}},{\"../plotly\":589}],663:[function(t,e,r){\"use strict\";function n(t,e){return e=e||{},e.format=e.format||\"png\",new Promise(function(r,n){t._snapshotInProgress&&n(new Error(\"Snapshotting already in progress.\")),o.isIE()&&\"svg\"!==e.format&&n(new Error(\"Sorry IE does not support downloading from canvas. Try {format:'svg'} instead.\")),t._snapshotInProgress=!0;var s=i(t,e),l=e.filename||t.fn||\"newplot\";l+=\".\"+e.format,s.then(function(e){return t._snapshotInProgress=!1,a(e,l)}).then(function(t){r(t)}).catch(function(e){t._snapshotInProgress=!1,n(e)})})}var i=t(\"../plot_api/to_image\"),o=t(\"../lib\"),a=t(\"./filesaver\");e.exports=n},{\"../lib\":568,\"../plot_api/to_image\":587,\"./filesaver\":664}],664:[function(t,e,r){\"use strict\";var n=function(t,e){var r=document.createElement(\"a\"),n=\"download\"in r,i=/Version\\/[\\d\\.]+.*Safari/.test(navigator.userAgent),o=new Promise(function(o,a){\"undefined\"!=typeof navigator&&/MSIE [1-9]\\./.test(navigator.userAgent)&&a(new Error(\"IE < 10 unsupported\")),i&&(document.location.href=\"data:application/octet-stream\"+t.slice(t.search(/[,;]/)),o(e)),e||(e=\"download\"),n&&(r.href=t,r.download=e,document.body.appendChild(r),r.click(),document.body.removeChild(r),o(e)),\"undefined\"!=typeof navigator&&navigator.msSaveBlob&&(navigator.msSaveBlob(new Blob([t]),e),o(e)),a(new Error(\"download error\"))});return o};e.exports=n},{}],665:[function(t,e,r){\"use strict\";function n(t){return t._has&&(t._has(\"gl3d\")||t._has(\"gl2d\"))?500:0}function i(t){return t.data&&t.data[0]&&t.data[0].r?void 0:function(){(t.calcdata||[]).forEach(function(t){t[0]&&t[0].t&&t[0].t.cb&&t[0].t.cb()})}}var o={getDelay:n,getRedrawFunc:i,clone:t(\"./cloneplot\"),toSVG:t(\"./tosvg\"),svgToImg:t(\"./svgtoimg\"),toImage:t(\"./toimage\"),downloadImage:t(\"./download\")};e.exports=o},{\"./cloneplot\":662,\"./download\":663,\"./svgtoimg\":666,\"./toimage\":667,\"./tosvg\":668}],666:[function(t,e,r){\"use strict\";function n(t){var e=t.emitter||new o,r=new Promise(function(n,o){var a=window.Image,s=t.svg,l=t.format||\"png\";if(i.isIE()&&(s=s.replace(/\"/gi,\"'\"),s=s.replace(/(\\('#)(.*)('\\))/gi,'(\"$2\")'),s=s.replace(/(\\\\')/gi,'\"'),\"svg\"!==l)){var u=new Error(\"Sorry IE does not support downloading from canvas. Try {format:'svg'} instead.\");return o(u),t.promise?r:e.emit(\"error\",u)}var c=t.canvas,h=c.getContext(\"2d\"),f=new a,d=\"data:image/svg+xml,\"+encodeURIComponent(s);c.height=t.height||150,c.width=t.width||300,f.onload=function(){var r;switch(\"svg\"!==l&&h.drawImage(f,0,0),l){case\"jpeg\":r=c.toDataURL(\"image/jpeg\");break;case\"png\":r=c.toDataURL(\"image/png\");break;case\"webp\":r=c.toDataURL(\"image/webp\");break;case\"svg\":r=d;break;default:if(o(new Error(\"Image format is not jpeg, png or svg\")),!t.promise)return e.emit(\"error\",\"Image format is not jpeg, png or svg\")}n(r),t.promise||e.emit(\"success\",r)},f.onerror=function(r){return o(r),t.promise?void 0:e.emit(\"error\",r)},f.src=d});return t.promise?r:e}var i=t(\"../lib\"),o=t(\"events\").EventEmitter;e.exports=n},{\"../lib\":568,events:57}],667:[function(t,e,r){\"use strict\";function n(t,e){function r(){var t=n.getDelay(u._fullLayout);setTimeout(function(){var t=o.Snapshot.toSVG(u),r=document.createElement(\"canvas\");r.id=a.randstr(),s=o.Snapshot.svgToImg({format:e.format,width:u._fullLayout.width,height:u._fullLayout.height,canvas:r,emitter:s,svg:t}),s.clean=function(){u&&document.body.removeChild(u)}},t)}var n=o.Snapshot,s=new i,l=n.clone(t,{format:\"png\"}),u=l.td;u.style.position=\"absolute\",u.style.left=\"-5000px\",document.body.appendChild(u);var c=n.getRedrawFunc(u);return o.plot(u,l.data,l.layout,l.config).then(c).then(r).catch(function(t){s.emit(\"error\",t)}),s}var i=t(\"events\").EventEmitter,o=t(\"../plotly\"),a=t(\"../lib\");e.exports=n},{\"../lib\":568,\"../plotly\":589,events:57}],668:[function(t,e,r){\"use strict\";var n=t(\"d3\"),i=t(\"../lib/svg_text_utils\"),o=t(\"../components/drawing\"),a=t(\"../components/color\"),s=t(\"../constants/xmlns_namespaces\");e.exports=function(t,e){var r,l=t._fullLayout,u=l._paper,c=l._toppaper;u.insert(\"rect\",\":first-child\").call(o.setRect,0,0,l.width,l.height).call(a.fill,l.paper_bgcolor);var h=l._basePlotModules||[];for(r=0;r<h.length;r++){var f=h[r];f.toSVG&&f.toSVG(t)}if(c){var d=c.node().childNodes,p=Array.prototype.slice.call(d);for(r=0;r<p.length;r++){var v=p[r];v.childNodes.length&&u.node().appendChild(v)}}l._draggers&&l._draggers.remove(),u.node().style.background=\"\",u.selectAll(\"text\").attr(\"data-unformatted\",null).each(function(){var t=n.select(this);if(\"hidden\"===t.style(\"visibility\"))return void t.remove();var e=t.style(\"font-family\");e&&-1!==e.indexOf('\"')&&t.style(\"font-family\",e.replace(/\"/g,\"TOBESTRIPPED\"))}),\"pdf\"!==e&&\"eps\"!==e||u.selectAll(\"#MathJax_SVG_glyphs path\").attr(\"stroke-width\",0),u.node().setAttributeNS(s.xmlns,\"xmlns\",s.svg),u.node().setAttributeNS(s.xmlns,\"xmlns:xlink\",s.xlink);var m=(new window.XMLSerializer).serializeToString(u.node());return m=i.html_entity_decode(m),m=i.xml_entity_encode(m),m=m.replace(/(\"TOBESTRIPPED)|(TOBESTRIPPED\")/g,\"'\")}},{\"../components/color\":483,\"../components/drawing\":506,\"../constants/xmlns_namespaces\":556,\"../lib/svg_text_utils\":581,d3:119}],669:[function(t,e,r){\"use strict\";var n=t(\"../../lib\").mergeArray;e.exports=function(t){var e=t[0].trace,r=e.marker,i=r.line;n(e.text,t,\"tx\"),n(r.opacity,t,\"mo\"),n(r.color,t,\"mc\"),n(i.color,t,\"mlc\"),n(i.width,t,\"mlw\")}},{\"../../lib\":568}],670:[function(t,e,r){\"use strict\";var n=t(\"../scatter/attributes\"),i=t(\"../../components/colorscale/color_attributes\"),o=t(\"../../lib/extend\").extendFlat,a=n.marker,s=a.line,l=o({},s.width,{dflt:0}),u=o({},{width:l},i(\"marker.line\")),c=o({},{showscale:a.showscale,line:u},i(\"marker\"));e.exports={x:n.x,x0:n.x0,dx:n.dx,y:n.y,y0:n.y0,dy:n.dy,text:n.text,orientation:{valType:\"enumerated\",values:[\"v\",\"h\"]},marker:c,r:n.r,t:n.t,_nestedModules:{error_y:\"ErrorBars\",error_x:\"ErrorBars\",\"marker.colorbar\":\"Colorbar\"},_deprecated:{bardir:{valType:\"enumerated\",values:[\"v\",\"h\"]}}}},{\"../../components/colorscale/color_attributes\":491,\"../../lib/extend\":563,\"../scatter/attributes\":750}],671:[function(t,e,r){\"use strict\";var n=t(\"fast-isnumeric\"),i=t(\"../../plots/cartesian/axes\"),o=t(\"../../components/colorscale/has_colorscale\"),a=t(\"../../components/colorscale/calc\");e.exports=function(t,e){var r,s,l,u=i.getFromId(t,e.xaxis||\"x\"),c=i.getFromId(t,e.yaxis||\"y\"),h=e.orientation||(e.x&&!e.y?\"h\":\"v\");\"h\"===h?(s=u.makeCalcdata(e,\"x\"),r=c.makeCalcdata(e,\"y\")):(s=c.makeCalcdata(e,\"y\"),r=u.makeCalcdata(e,\"x\"));var f=Math.min(r.length,s.length),d=[];for(l=0;f>l;l++)n(r[l])&&d.push({p:r[l],s:s[l],b:0});return o(e,\"marker\")&&a(e,e.marker.color,\"marker\",\"c\"),o(e,\"marker.line\")&&a(e,e.marker.line.color,\"marker.line\",\"c\"),d}},{\"../../components/colorscale/calc\":490,\"../../components/colorscale/has_colorscale\":496,\"../../plots/cartesian/axes\":592,\"fast-isnumeric\":123}],672:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"../../components/color\"),o=t(\"../scatter/xy_defaults\"),a=t(\"../bar/style_defaults\"),s=t(\"../../components/errorbars/defaults\"),l=t(\"./attributes\");e.exports=function(t,e,r,u){function c(r,i){return n.coerce(t,e,l,r,i)}var h=o(t,e,c);return h?(c(\"orientation\",e.x&&!e.y?\"h\":\"v\"),c(\"text\"),a(t,e,c,r,u),s(t,e,i.defaultLine,{axis:\"y\"}),void s(t,e,i.defaultLine,{axis:\"x\",inherit:\"y\"})):void(e.visible=!1)}},{\"../../components/color\":483,\"../../components/errorbars/defaults\":511,\"../../lib\":568,\"../bar/style_defaults\":680,\"../scatter/xy_defaults\":771,\"./attributes\":670}],673:[function(t,e,r){\"use strict\";var n=t(\"../../plots/cartesian/graph_interact\"),i=t(\"../../components/errorbars\"),o=t(\"../../components/color\");e.exports=function(t,e,r,a){var s,l=t.cd,u=l[0].trace,c=l[0].t,h=t.xa,f=t.ya,d=\"closest\"===a?c.barwidth/2:c.dbar*(1-h._gd._fullLayout.bargap)/2;s=\"closest\"!==a?function(t){return t.p}:\"h\"===u.orientation?function(t){return t.y}:function(t){return t.x};var p,v;\"h\"===u.orientation?(p=function(t){return n.inbox(t.b-e,t.x-e)+(t.x-e)/(t.x-t.b)},v=function(t){var e=s(t)-r;return n.inbox(e-d,e+d)}):(v=function(t){return n.inbox(t.b-r,t.y-r)+(t.y-r)/(t.y-t.b)},p=function(t){var r=s(t)-e;return n.inbox(r-d,r+d)});var m=n.getDistanceFunction(a,p,v);if(n.getClosest(l,m,t),t.index!==!1){var g=l[t.index],y=g.mcc||u.marker.color,b=g.mlcc||u.marker.line.color,x=g.mlw||u.marker.line.width;return o.opacity(y)?t.color=y:o.opacity(b)&&x&&(t.color=b),\"h\"===u.orientation?(t.x0=t.x1=h.c2p(g.x,!0),t.xLabelVal=g.s,t.y0=f.c2p(s(g)-d,!0),t.y1=f.c2p(s(g)+d,!0),t.yLabelVal=g.p):(t.y0=t.y1=f.c2p(g.y,!0),t.yLabelVal=g.s,t.x0=h.c2p(s(g)-d,!0),t.x1=h.c2p(s(g)+d,!0),t.xLabelVal=g.p),g.tx&&(t.text=g.tx),i.hoverInfo(g,u,t),[t]}}},{\"../../components/color\":483,\"../../components/errorbars\":512,\"../../plots/cartesian/graph_interact\":599}],674:[function(t,e,r){\"use strict\";var n={};n.attributes=t(\"./attributes\"),n.layoutAttributes=t(\"./layout_attributes\"),n.supplyDefaults=t(\"./defaults\"),n.supplyLayoutDefaults=t(\"./layout_defaults\"),n.calc=t(\"./calc\"),n.setPositions=t(\"./set_positions\"),n.colorbar=t(\"../scatter/colorbar\"),n.arraysToCalcdata=t(\"./arrays_to_calcdata\"),n.plot=t(\"./plot\"),n.style=t(\"./style\"),n.hoverPoints=t(\"./hover\"),n.moduleType=\"trace\",n.name=\"bar\",n.basePlotModule=t(\"../../plots/cartesian\"),n.categories=[\"cartesian\",\"bar\",\"oriented\",\"markerColorscale\",\"errorBarsOK\",\"showLegend\"],n.meta={},e.exports=n},{\"../../plots/cartesian\":600,\"../scatter/colorbar\":753,\"./arrays_to_calcdata\":669,\"./attributes\":670,\"./calc\":671,\"./defaults\":672,\"./hover\":673,\"./layout_attributes\":675,\"./layout_defaults\":676,\"./plot\":677,\"./set_positions\":678,\"./style\":679}],675:[function(t,e,r){\"use strict\";e.exports={barmode:{valType:\"enumerated\",values:[\"stack\",\"group\",\"overlay\",\"relative\"],dflt:\"group\"},barnorm:{valType:\"enumerated\",values:[\"\",\"fraction\",\"percent\"],dflt:\"\"},bargap:{valType:\"number\",min:0,max:1},bargroupgap:{valType:\"number\",min:0,max:1,dflt:0}}},{}],676:[function(t,e,r){\"use strict\";var n=t(\"../../plots/plots\"),i=t(\"../../plots/cartesian/axes\"),o=t(\"../../lib\"),a=t(\"./layout_attributes\");e.exports=function(t,e,r){function s(r,n){return o.coerce(t,e,a,r,n)}for(var l=!1,u=!1,c=!1,h={},f=0;f<r.length;f++){var d=r[f];if(n.traceIs(d,\"bar\")){if(l=!0,\"overlay\"!==t.barmode&&\"stack\"!==t.barmode){var p=d.xaxis+d.yaxis;h[p]&&(c=!0),h[p]=!0}if(d.visible&&\"histogram\"===d.type){var v=i.getFromId({_fullLayout:e},d[\"v\"===d.orientation?\"xaxis\":\"yaxis\"]);\"category\"!==v.type&&(u=!0)}}}if(l){var m=s(\"barmode\");\"overlay\"!==m&&s(\"barnorm\"),s(\"bargap\",u&&!c?0:.2),s(\"bargroupgap\")}}},{\"../../lib\":568,\"../../plots/cartesian/axes\":592,\"../../plots/plots\":648,\"./layout_attributes\":675}],677:[function(t,e,r){\"use strict\";var n=t(\"d3\"),i=t(\"fast-isnumeric\"),o=t(\"../../lib\"),a=t(\"../../components/color\"),s=t(\"../../components/errorbars\"),l=t(\"./arrays_to_calcdata\");e.exports=function(t,e,r){var u=e.x(),c=e.y(),h=t._fullLayout,f=e.plot.select(\".barlayer\").selectAll(\"g.trace.bars\").data(r).enter().append(\"g\").attr(\"class\",\"trace bars\");f.append(\"g\").attr(\"class\",\"points\").each(function(e){var r=e[0].t,s=e[0].trace;l(e),n.select(this).selectAll(\"path\").data(o.identity).enter().append(\"path\").each(function(e){function o(t){return 0===h.bargap&&0===h.bargroupgap?n.round(Math.round(t)-g,2):t}function l(t,e){return Math.abs(t-e)>=2?o(t):t>e?Math.ceil(t):Math.floor(t)}var f,d,p,v;if(\"h\"===s.orientation?(p=c.c2p(r.poffset+e.p,!0),v=c.c2p(r.poffset+e.p+r.barwidth,!0),f=u.c2p(e.b,!0),d=u.c2p(e.s+e.b,!0)):(f=u.c2p(r.poffset+e.p,!0),d=u.c2p(r.poffset+e.p+r.barwidth,!0),v=c.c2p(e.s+e.b,!0),p=c.c2p(e.b,!0)),!(i(f)&&i(d)&&i(p)&&i(v)&&f!==d&&p!==v))return void n.select(this).remove();var m=(e.mlw+1||s.marker.line.width+1||(e.trace?e.trace.marker.line.width:0)+1)-1,g=n.round(m/2%1,2);if(!t._context.staticPlot){var y=a.opacity(e.mc||s.marker.color),b=1>y||m>.01?o:l;f=b(f,d),d=b(d,f),p=b(p,v),v=b(v,p)}n.select(this).attr(\"d\",\"M\"+f+\",\"+p+\"V\"+v+\"H\"+d+\"V\"+p+\"Z\")})}),f.call(s.plot,e)}},{\"../../components/color\":483,\"../../components/errorbars\":512,\"../../lib\":568,\"./arrays_to_calcdata\":669,d3:119,\"fast-isnumeric\":123}],678:[function(t,e,r){\"use strict\";var n=t(\"fast-isnumeric\"),i=t(\"../../plots/plots\"),o=t(\"../../plots/cartesian/axes\"),a=t(\"../../lib\");e.exports=function(t,e){var r,s,l=t._fullLayout,u=e.x(),c=e.y();[\"v\",\"h\"].forEach(function(h){function f(e){function r(t){t[p]=t.p+f}var n=[];e.forEach(function(e){t.calcdata[e].forEach(function(t){n.push(t.p)})});var i=a.distinctVals(n),s=i.vals,u=i.minDiff,c=!1,h=[];\"group\"===l.barmode&&e.forEach(function(e){c||(t.calcdata[e].forEach(function(t){c||h.forEach(function(e){Math.abs(t.p-e)<u&&(c=!0)})}),c||t.calcdata[e].forEach(function(t){h.push(t.p)}))}),o.minDtick(m,u,s[0],c),o.expand(m,s,{vpad:u/2}),u*=1-l.bargap,c&&(u/=d.length);for(var f,v=0;v<e.length;v++){var g=t.calcdata[e[v]][0].t;g.barwidth=u*(1-l.bargroupgap),g.poffset=((c?(2*v+1-e.length)*u:0)-g.barwidth)/2,g.dbar=i.minDiff,f=g.poffset+g.barwidth/2,t.calcdata[e[v]].forEach(r)}}var d=[],p={v:\"x\",h:\"y\"}[h],v={v:\"y\",h:\"x\"}[h],m=e[p](),g=e[v]();if(t._fullData.forEach(function(t,e){t.visible===!0&&i.traceIs(t,\"bar\")&&t.orientation===h&&t.xaxis===u._id&&t.yaxis===c._id&&d.push(e)}),d.length){\"overlay\"===l.barmode?d.forEach(function(t){f([t])}):f(d);var y=\"stack\"===l.barmode,b=\"relative\"===l.barmode,x=l.barnorm;if(y||b||x){var _,w,M,k=g.l2c(g.c2l(0)),A=k,T={},E=t.calcdata[d[0]][0].t.barwidth/100,S=0,L=!0;for(r=0;r<d.length;r++)for(w=t.calcdata[d[r]],s=0;s<w.length;s++)if(n(w[s].s)){S=Math.round(w[s].p/E),b&&w[s].s<0&&(S=\"-\"+S);var z=T[S]||0;(y||b)&&(w[s].b=z),_=w[s].b+w[s].s,T[S]=z+w[s].s,(y||b)&&(w[s][v]=_,!x&&n(g.c2l(_))&&(k=Math.max(k,_),A=Math.min(A,_)))}if(x){var I=\"fraction\"===x?1:100,P=!1,C=I/1e9;for(L=!1,A=0,k=y?I:0,r=0;r<d.length;r++)for(w=t.calcdata[d[r]],s=0;s<w.length;s++)P=b&&w[s].s<0,S=Math.round(w[s].p/E),P&&(S=\"-\"+S),M=I/T[S],P&&(M*=-1),w[s].b*=M,w[s].s*=M,_=w[s].b+w[s].s,w[s][v]=_,n(g.c2l(_))&&(A-C>_&&(L=!0,A=_),_>k+C&&(L=!0,k=_))}o.expand(g,[A,k],{tozero:!0,padded:L})}else{var R=function(t){return t[v]=t.s,t.s};for(r=0;r<d.length;r++)o.expand(g,t.calcdata[d[r]].map(R),{tozero:!0,padded:!0})}}})}},{\"../../lib\":568,\"../../plots/cartesian/axes\":592,\"../../plots/plots\":648,\"fast-isnumeric\":123}],679:[function(t,e,r){\"use strict\";var n=t(\"d3\"),i=t(\"../../components/color\"),o=t(\"../../components/drawing\"),a=t(\"../../components/errorbars\");e.exports=function(t){var e=n.select(t).selectAll(\"g.trace.bars\"),r=e.size(),s=t._fullLayout;e.style(\"opacity\",function(t){return t[0].trace.opacity}).each(function(t){(\"stack\"===s.barmode&&r>1||0===s.bargap&&0===s.bargroupgap&&!t[0].trace.marker.line.width)&&n.select(this).attr(\"shape-rendering\",\"crispEdges\")}),e.selectAll(\"g.points\").each(function(t){var e=t[0].trace,r=e.marker,a=r.line,s=(e._input||{}).marker||{},l=o.tryColorscale(r,s,\"\"),u=o.tryColorscale(r,s,\"line.\");n.select(this).selectAll(\"path\").each(function(t){var e,o,s=(t.mlw+1||a.width+1)-1,c=n.select(this);e=\"mc\"in t?t.mcc=l(t.mc):Array.isArray(r.color)?i.defaultLine:r.color,c.style(\"stroke-width\",s+\"px\").call(i.fill,e),s&&(o=\"mlc\"in t?t.mlcc=u(t.mlc):Array.isArray(a.color)?i.defaultLine:a.color,c.call(i.stroke,o))})}),e.call(a.style)}},{\"../../components/color\":483,\"../../components/drawing\":506,\"../../components/errorbars\":512,d3:119}],680:[function(t,e,r){\"use strict\";var n=t(\"../../components/color\"),i=t(\"../../components/colorscale/has_colorscale\"),o=t(\"../../components/colorscale/defaults\");e.exports=function(t,e,r,a,s){r(\"marker.color\",a),i(t,\"marker\")&&o(t,e,s,r,{prefix:\"marker.\",cLetter:\"c\"}),r(\"marker.line.color\",n.defaultLine),i(t,\"marker.line\")&&o(t,e,s,r,{prefix:\"marker.line.\",cLetter:\"c\"}),r(\"marker.line.width\")}},{\"../../components/color\":483,\"../../components/colorscale/defaults\":493,\"../../components/colorscale/has_colorscale\":496}],681:[function(t,e,r){\"use strict\";var n=t(\"../scatter/attributes\"),i=t(\"../../components/color/attributes\"),o=t(\"../../lib/extend\").extendFlat,a=n.marker,s=a.line;e.exports={y:{valType:\"data_array\"},x:{valType:\"data_array\"},x0:{valType:\"any\"},y0:{valType:\"any\"},whiskerwidth:{valType:\"number\",min:0,max:1,dflt:.5},boxpoints:{valType:\"enumerated\",values:[\"all\",\"outliers\",\"suspectedoutliers\",!1],dflt:\"outliers\"},boxmean:{valType:\"enumerated\",values:[!0,\"sd\",!1],dflt:!1},jitter:{valType:\"number\",min:0,max:1},pointpos:{valType:\"number\",min:-2,max:2},orientation:{valType:\"enumerated\",values:[\"v\",\"h\"]},marker:{outliercolor:{valType:\"color\",dflt:\"rgba(0, 0, 0, 0)\"},symbol:o({},a.symbol,{arrayOk:!1}),opacity:o({},a.opacity,{arrayOk:!1,dflt:1}),size:o({},a.size,{arrayOk:!1}),color:o({},a.color,{arrayOk:!1}),line:{color:o({},s.color,{arrayOk:!1,dflt:i.defaultLine}),width:o({},s.width,{arrayOk:!1,dflt:0}),outliercolor:{valType:\"color\"},outlierwidth:{valType:\"number\",min:0,dflt:1}}},line:{color:{valType:\"color\"},width:{valType:\"number\",min:0,dflt:2}},fillcolor:n.fillcolor}},{\"../../components/color/attributes\":482,\"../../lib/extend\":563,\"../scatter/attributes\":750}],682:[function(t,e,r){\"use strict\";var n=t(\"fast-isnumeric\"),i=t(\"../../lib\"),o=t(\"../../plots/cartesian/axes\");e.exports=function(t,e){function r(t,e,r,o,a){var s;return r in e?p=o.makeCalcdata(e,r):(s=r+\"0\"in e?e[r+\"0\"]:\"name\"in e&&(\"category\"===o.type||n(e.name)&&-1!==[\"linear\",\"log\"].indexOf(o.type)||i.isDateTime(e.name)&&\"date\"===o.type)?e.name:t.numboxes,s=o.d2c(s),p=a.map(function(){return s})),p}function a(t,e,r,o,a){var s,l,u,c,h=o.length,f=e.length,d=[],p=[];for(s=0;h>s;++s)l=o[s],t[s]={pos:l},p[s]=l-a,d[s]=[];for(p.push(o[h-1]+a),s=0;f>s;++s)c=e[s],n(c)&&(u=i.findBin(r[s],p),u>=0&&f>u&&d[u].push(c));return d}function s(t,e){var r,n,o,a;for(a=0;a<e.length;++a)r=e[a].sort(i.sorterAsc),n=r.length,o=t[a],o.val=r,o.min=r[0],o.max=r[n-1],o.mean=i.mean(r,n),o.sd=i.stdev(r,n,o.mean),o.q1=i.interp(r,.25),o.med=i.interp(r,.5),o.q3=i.interp(r,.75),o.lf=Math.min(o.q1,r[Math.min(i.findBin(2.5*o.q1-1.5*o.q3,r,!0)+1,n-1)]),o.uf=Math.max(o.q3,r[Math.max(i.findBin(2.5*o.q3-1.5*o.q1,r),0)]),o.lo=4*o.q1-3*o.q3,o.uo=4*o.q3-3*o.q1}var l,u,c,h,f,d,p,v,m,g=o.getFromId(t,e.xaxis||\"x\"),y=o.getFromId(t,e.yaxis||\"y\"),b=e.orientation,x=[];\"h\"===b?(l=g,u=\"x\",f=y,d=\"y\"):(l=y,u=\"y\",f=g,d=\"x\"),c=l.makeCalcdata(e,u),o.expand(l,c,{padded:!0}),p=r(t,e,d,f,c);var _=i.distinctVals(p);return v=_.vals,m=_.minDiff/2,h=a(x,c,p,v,m),s(x,h),x=x.filter(function(t){return t.val&&t.val.length}),x.length?(x[0].t={boxnum:t.numboxes,dPos:m},t.numboxes++,x):[{t:{emptybox:!0}}]}},{\"../../lib\":568,\"../../plots/cartesian/axes\":592,\"fast-isnumeric\":123}],683:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"../../components/color\"),o=t(\"./attributes\");e.exports=function(t,e,r){function a(r,i){return n.coerce(t,e,o,r,i)}var s,l=a(\"y\"),u=a(\"x\");if(l&&l.length)s=\"v\",u||a(\"x0\");else{if(!u||!u.length)return void(e.visible=!1);s=\"h\",a(\"y0\")}a(\"orientation\",s),a(\"line.color\",(t.marker||{}).color||r),a(\"line.width\",2),a(\"fillcolor\",i.addOpacity(e.line.color,.5)),a(\"whiskerwidth\"),a(\"boxmean\");var c=n.coerce2(t,e,o,\"marker.outliercolor\"),h=a(\"marker.line.outliercolor\"),f=c||h?a(\"boxpoints\",\"suspectedoutliers\"):a(\"boxpoints\");f&&(a(\"jitter\",\"all\"===f?.3:0),a(\"pointpos\",\"all\"===f?-1.5:0),a(\"marker.symbol\"),a(\"marker.opacity\"),a(\"marker.size\"),a(\"marker.color\",e.line.color),a(\"marker.line.color\"),a(\"marker.line.width\"),\"suspectedoutliers\"===f&&(a(\"marker.line.outliercolor\",e.marker.color),a(\"marker.line.outlierwidth\")))}},{\"../../components/color\":483,\"../../lib\":568,\"./attributes\":681}],684:[function(t,e,r){\"use strict\";var n=t(\"../../plots/cartesian/axes\"),i=t(\"../../plots/cartesian/graph_interact\"),o=t(\"../../lib\"),a=t(\"../../components/color\");e.exports=function(t,e,r,s){var l,u,c,h,f,d,p,v,m,g=t.cd,y=g[0].trace,b=g[0].t,x=t.xa,_=t.ya,w=[];if(h=\"closest\"===s?2.5*b.bdPos:b.bdPos,\"h\"===y.orientation?(l=function(t){return i.inbox(t.min-e,t.max-e)},u=function(t){var e=t.pos+b.bPos-r;return i.inbox(e-h,e+h)},f=\"y\",d=_,v=\"x\",m=x):(l=function(t){var r=t.pos+b.bPos-e;return i.inbox(r-h,r+h)},u=function(t){return i.inbox(t.min-r,t.max-r)},f=\"x\",d=x,v=\"y\",m=_),c=i.getDistanceFunction(s,l,u),i.getClosest(g,c,t),t.index!==!1){var M=g[t.index],k=y.line.color,A=(y.marker||{}).color;a.opacity(k)&&y.line.width?t.color=k:a.opacity(A)&&y.boxpoints?t.color=A:t.color=y.fillcolor,t[f+\"0\"]=d.c2p(M.pos+b.bPos-b.bdPos,!0),t[f+\"1\"]=d.c2p(M.pos+b.bPos+b.bdPos,!0),n.tickText(d,d.c2l(M.pos),\"hover\").text,t[f+\"LabelVal\"]=M.pos;var T,E,S={},L=[\"med\",\"min\",\"q1\",\"q3\",\"max\"];y.boxmean&&L.push(\"mean\"),y.boxpoints&&[].push.apply(L,[\"lf\",\"uf\"]);for(var z=0;z<L.length;z++)T=L[z],T in M&&!(M[T]in S)&&(S[M[T]]=!0,p=m.c2p(M[T],!0),E=o.extendFlat({},t),E[v+\"0\"]=E[v+\"1\"]=p,E[v+\"LabelVal\"]=M[T],E.attr=T,\"mean\"===T&&\"sd\"in M&&\"sd\"===y.boxmean&&(E[v+\"err\"]=M.sd),t.name=\"\",w.push(E));return w}}},{\"../../components/color\":483,\"../../lib\":568,\"../../plots/cartesian/axes\":592,\"../../plots/cartesian/graph_interact\":599}],685:[function(t,e,r){\"use strict\";var n={};n.attributes=t(\"./attributes\"),n.layoutAttributes=t(\"./layout_attributes\"),n.supplyDefaults=t(\"./defaults\"),n.supplyLayoutDefaults=t(\"./layout_defaults\"),n.calc=t(\"./calc\"),n.setPositions=t(\"./set_positions\"),n.plot=t(\"./plot\"),n.style=t(\"./style\"),n.hoverPoints=t(\"./hover\"),n.moduleType=\"trace\",n.name=\"box\",n.basePlotModule=t(\"../../plots/cartesian\"),n.categories=[\"cartesian\",\"symbols\",\"oriented\",\"box\",\"showLegend\"],n.meta={},e.exports=n},{\"../../plots/cartesian\":600,\"./attributes\":681,\"./calc\":682,\"./defaults\":683,\"./hover\":684,\"./layout_attributes\":686,\"./layout_defaults\":687,\"./plot\":688,\"./set_positions\":689,\"./style\":690}],686:[function(t,e,r){\"use strict\";e.exports={boxmode:{valType:\"enumerated\",values:[\"group\",\"overlay\"],dflt:\"overlay\"},boxgap:{valType:\"number\",min:0,max:1,dflt:.3},boxgroupgap:{valType:\"number\",min:0,max:1,dflt:.3}}},{}],687:[function(t,e,r){\"use strict\";var n=t(\"../../plots/plots\"),i=t(\"../../lib\"),o=t(\"./layout_attributes\");e.exports=function(t,e,r){function a(r,n){return i.coerce(t,e,o,r,n)}for(var s,l=0;l<r.length;l++)if(n.traceIs(r[l],\"box\")){s=!0;break}s&&(a(\"boxmode\"),a(\"boxgap\"),a(\"boxgroupgap\"))}},{\"../../lib\":568,\"../../plots/plots\":648,\"./layout_attributes\":686}],688:[function(t,e,r){\"use strict\";function n(){l=2e9}function i(){var t=l;return l=(69069*l+1)%4294967296,Math.abs(l-t)<429496729?i():l/4294967296}var o=t(\"d3\"),a=t(\"../../lib\"),s=t(\"../../components/drawing\"),l=2e9,u=5,c=.01;e.exports=function(t,e,r){var l,h,f=t._fullLayout,d=e.x(),p=e.y(),v=e.plot.select(\".boxlayer\").selectAll(\"g.trace.boxes\").data(r).enter().append(\"g\").attr(\"class\",\"trace boxes\");v.each(function(e){var r=e[0].t,v=e[0].trace,m=\"group\"===f.boxmode&&t.numboxes>1,g=r.dPos*(1-f.boxgap)*(1-f.boxgroupgap)/(m?t.numboxes:1),y=m?2*r.dPos*(-.5+(r.boxnum+.5)/t.numboxes)*(1-f.boxgap):0,b=g*v.whiskerwidth;return v.visible!==!0||r.emptybox?void o.select(this).remove():(\"h\"===v.orientation?(l=p,h=d):(l=d,h=p),r.bPos=y,r.bdPos=g,n(),o.select(this).selectAll(\"path.box\").data(a.identity).enter().append(\"path\").attr(\"class\",\"box\").each(function(t){var e=l.c2p(t.pos+y,!0),r=l.c2p(t.pos+y-g,!0),n=l.c2p(t.pos+y+g,!0),i=l.c2p(t.pos+y-b,!0),s=l.c2p(t.pos+y+b,!0),u=h.c2p(t.q1,!0),c=h.c2p(t.q3,!0),f=a.constrain(h.c2p(t.med,!0),Math.min(u,c)+1,Math.max(u,c)-1),d=h.c2p(v.boxpoints===!1?t.min:t.lf,!0),p=h.c2p(v.boxpoints===!1?t.max:t.uf,!0);\n\"h\"===v.orientation?o.select(this).attr(\"d\",\"M\"+f+\",\"+r+\"V\"+n+\"M\"+u+\",\"+r+\"V\"+n+\"H\"+c+\"V\"+r+\"ZM\"+u+\",\"+e+\"H\"+d+\"M\"+c+\",\"+e+\"H\"+p+(0===v.whiskerwidth?\"\":\"M\"+d+\",\"+i+\"V\"+s+\"M\"+p+\",\"+i+\"V\"+s)):o.select(this).attr(\"d\",\"M\"+r+\",\"+f+\"H\"+n+\"M\"+r+\",\"+u+\"H\"+n+\"V\"+c+\"H\"+r+\"ZM\"+e+\",\"+u+\"V\"+d+\"M\"+e+\",\"+c+\"V\"+p+(0===v.whiskerwidth?\"\":\"M\"+i+\",\"+d+\"H\"+s+\"M\"+i+\",\"+p+\"H\"+s))}),v.boxpoints&&o.select(this).selectAll(\"g.points\").data(function(t){return t.forEach(function(t){t.t=r,t.trace=v}),t}).enter().append(\"g\").attr(\"class\",\"points\").selectAll(\"path\").data(function(t){var e,r,n,o,s,l,h,f=\"all\"===v.boxpoints?t.val:t.val.filter(function(e){return e<t.lf||e>t.uf}),d=(t.q3-t.q1)*c,p=[],m=0;if(v.jitter){for(e=0;e<f.length;e++)r=Math.max(0,e-u),o=f[r],n=Math.min(f.length-1,e+u),s=f[n],\"all\"!==v.boxpoints&&(f[e]<t.lf?s=Math.min(s,t.lf):o=Math.max(o,t.uf)),l=Math.sqrt(d*(n-r)/(s-o))||0,l=a.constrain(Math.abs(l),0,1),p.push(l),m=Math.max(l,m);h=2*v.jitter/m}return f.map(function(e,r){var n,o=v.pointpos;return v.jitter&&(o+=h*p[r]*(i()-.5)),n=\"h\"===v.orientation?{y:t.pos+o*g+y,x:e}:{x:t.pos+o*g+y,y:e},\"suspectedoutliers\"===v.boxpoints&&e<t.uo&&e>t.lo&&(n.so=!0),n})}).enter().append(\"path\").call(s.translatePoints,d,p),void(v.boxmean&&o.select(this).selectAll(\"path.mean\").data(a.identity).enter().append(\"path\").attr(\"class\",\"mean\").style(\"fill\",\"none\").each(function(t){var e=l.c2p(t.pos+y,!0),r=l.c2p(t.pos+y-g,!0),n=l.c2p(t.pos+y+g,!0),i=h.c2p(t.mean,!0),a=h.c2p(t.mean-t.sd,!0),s=h.c2p(t.mean+t.sd,!0);\"h\"===v.orientation?o.select(this).attr(\"d\",\"M\"+i+\",\"+r+\"V\"+n+(\"sd\"!==v.boxmean?\"\":\"m0,0L\"+a+\",\"+e+\"L\"+i+\",\"+r+\"L\"+s+\",\"+e+\"Z\")):o.select(this).attr(\"d\",\"M\"+r+\",\"+i+\"H\"+n+(\"sd\"!==v.boxmean?\"\":\"m0,0L\"+e+\",\"+a+\"L\"+r+\",\"+i+\"L\"+e+\",\"+s+\"Z\"))})))})}},{\"../../components/drawing\":506,\"../../lib\":568,d3:119}],689:[function(t,e,r){\"use strict\";var n=t(\"../../plots/plots\"),i=t(\"../../plots/cartesian/axes\"),o=t(\"../../lib\");e.exports=function(t,e){var r,a,s,l,u=t._fullLayout,c=e.x(),h=e.y(),f=[\"v\",\"h\"];for(a=0;a<f.length;++a){var d,p,v,m=f[a],g=[],y=[],b=0,x=0;for(r=\"h\"===m?h:c,s=0;s<t.calcdata.length;++s)d=t.calcdata[s],p=d[0].t,v=d[0].trace,v.visible===!0&&n.traceIs(v,\"box\")&&!p.emptybox&&v.orientation===m&&v.xaxis===c._id&&v.yaxis===h._id&&(g.push(s),v.boxpoints!==!1&&(b=Math.max(b,v.jitter-v.pointpos-1),x=Math.max(x,v.jitter+v.pointpos-1)));for(s=0;s<g.length;s++)for(d=t.calcdata[g[s]],l=0;l<d.length;l++)y.push(d[l].pos);if(y.length){var _=o.distinctVals(y),w=_.minDiff/2;for(y.length===_.vals.length&&(t.numboxes=1),i.minDtick(r,_.minDiff,_.vals[0],!0),a=0;a<g.length;++a)t.calcdata[a][0].t.dPos=w;var M=(1-u.boxgap)*(1-u.boxgroupgap)*w/t.numboxes;i.expand(r,_.vals,{vpadminus:w+b*M,vpadplus:w+x*M})}}}},{\"../../lib\":568,\"../../plots/cartesian/axes\":592,\"../../plots/plots\":648}],690:[function(t,e,r){\"use strict\";var n=t(\"d3\"),i=t(\"../../components/color\"),o=t(\"../../components/drawing\");e.exports=function(t){var e=n.select(t).selectAll(\"g.trace.boxes\");e.style(\"opacity\",function(t){return t[0].trace.opacity}).each(function(t){var e=t[0].trace,r=e.line.width;n.select(this).selectAll(\"path.box\").style(\"stroke-width\",r+\"px\").call(i.stroke,e.line.color).call(i.fill,e.fillcolor),n.select(this).selectAll(\"path.mean\").style({\"stroke-width\":r,\"stroke-dasharray\":2*r+\"px,\"+r+\"px\"}).call(i.stroke,e.line.color),n.select(this).selectAll(\"g.points path\").call(o.pointStyle,e)})}},{\"../../components/color\":483,\"../../components/drawing\":506,d3:119}],691:[function(t,e,r){\"use strict\";var n=t(\"../scattergeo/attributes\"),i=t(\"../../components/colorscale/attributes\"),o=t(\"../../plots/attributes\"),a=t(\"../../lib/extend\").extendFlat,s=n.marker.line;e.exports=a({},{locations:{valType:\"data_array\"},locationmode:n.locationmode,z:{valType:\"data_array\"},text:{valType:\"data_array\"},marker:{line:{color:s.color,width:s.width}},hoverinfo:a({},o.hoverinfo,{flags:[\"location\",\"z\",\"text\",\"name\"]}),_nestedModules:{colorbar:\"Colorbar\"}},i)},{\"../../components/colorscale/attributes\":489,\"../../lib/extend\":563,\"../../plots/attributes\":590,\"../scattergeo/attributes\":778}],692:[function(t,e,r){\"use strict\";var n=t(\"../../components/colorscale/calc\");e.exports=function(t,e){n(e,e.z,\"\",\"z\")}},{\"../../components/colorscale/calc\":490}],693:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"../../components/colorscale/defaults\"),o=t(\"./attributes\");e.exports=function(t,e,r,a){function s(r,i){return n.coerce(t,e,o,r,i)}var l,u=s(\"locations\");if(u&&(l=u.length),!u||!l)return void(e.visible=!1);var c=s(\"z\");return Array.isArray(c)?(c.length>l&&(e.z=c.slice(0,l)),s(\"locationmode\"),s(\"text\"),s(\"marker.line.color\"),s(\"marker.line.width\"),i(t,e,a,s,{prefix:\"\",cLetter:\"z\"}),void s(\"hoverinfo\",1===a._dataLength?\"location+z+text\":void 0)):void(e.visible=!1)}},{\"../../components/colorscale/defaults\":493,\"../../lib\":568,\"./attributes\":691}],694:[function(t,e,r){\"use strict\";var n={};n.attributes=t(\"./attributes\"),n.supplyDefaults=t(\"./defaults\"),n.colorbar=t(\"../heatmap/colorbar\"),n.calc=t(\"./calc\"),n.plot=t(\"./plot\").plot,n.moduleType=\"trace\",n.name=\"choropleth\",n.basePlotModule=t(\"../../plots/geo\"),n.categories=[\"geo\",\"noOpacity\"],n.meta={},e.exports=n},{\"../../plots/geo\":613,\"../heatmap/colorbar\":708,\"./attributes\":691,\"./calc\":692,\"./defaults\":693,\"./plot\":695}],695:[function(t,e,r){\"use strict\";function n(t,e){function r(e){var r=t.mockAxis;return a.tickText(r,r.c2l(e),\"hover\").text}var n=e.hoverinfo;if(\"none\"===n)return function(t){delete t.nameLabel,delete t.textLabel};var i=\"all\"===n?m.hoverinfo.flags:n.split(\"+\"),o=-1!==i.indexOf(\"name\"),s=-1!==i.indexOf(\"location\"),l=-1!==i.indexOf(\"z\"),u=-1!==i.indexOf(\"text\"),c=!o&&s;return function(t){var n=[];c?t.nameLabel=t.id:(o&&(t.nameLabel=e.name),s&&n.push(t.id)),l&&n.push(r(t.z)),u&&n.push(t.tx),t.textLabel=n.join(\"<br>\")}}function i(t){return function(e,r){return{points:[{data:t._input,fullData:t,curveNumber:t.index,pointNumber:r,location:e.id,z:e.z}]}}}var o=t(\"d3\"),a=t(\"../../plots/cartesian/axes\"),s=t(\"../../plots/cartesian/graph_interact\"),l=t(\"../../components/color\"),u=t(\"../../components/drawing\"),c=t(\"../../components/colorscale/get_scale\"),h=t(\"../../components/colorscale/make_scale_function\"),f=t(\"../../lib/topojson_utils\").getTopojsonFeatures,d=t(\"../../lib/geo_location_utils\").locationToFeature,p=t(\"../../lib/array_to_calc_item\"),v=t(\"../../plots/geo/constants\"),m=t(\"./attributes\"),g=e.exports={};g.calcGeoJSON=function(t,e){for(var r,n=[],i=t.locations,o=i.length,a=f(t,e),s=(t.marker||{}).line||{},l=0;o>l;l++)r=d(t.locationmode,i[l],a),void 0!==r&&(r.z=t.z[l],void 0!==t.text&&(r.tx=t.text[l]),p(s.color,r,\"mlc\",l),p(s.width,r,\"mlw\",l),n.push(r));return n.length>0&&(n[0].trace=t),n},g.plot=function(t,e,r){var a,l=t.framework,u=l.select(\"g.choroplethlayer\"),c=l.select(\"g.baselayer\"),h=l.select(\"g.baselayeroverchoropleth\"),f=v.baseLayersOverChoropleth,d=u.selectAll(\"g.trace.choropleth\").data(e,function(t){return t.uid});d.enter().append(\"g\").attr(\"class\",\"trace choropleth\"),d.exit().remove(),d.each(function(e){function r(e,r){if(t.showHover){var n=t.projection(e.properties.ct);u(e),s.loneHover({x:n[0],y:n[1],name:e.nameLabel,text:e.textLabel},{container:t.hoverContainer.node()}),h=c(e,r),t.graphDiv.emit(\"plotly_hover\",h)}}function a(e,r){t.graphDiv.emit(\"plotly_click\",c(e,r))}var l=g.calcGeoJSON(e,t.topojson),u=n(t,e),c=i(e),h=null,f=o.select(this).selectAll(\"path.choroplethlocation\").data(l);f.enter().append(\"path\").classed(\"choroplethlocation\",!0).on(\"mouseover\",r).on(\"click\",a).on(\"mouseout\",function(){s.loneUnhover(t.hoverContainer),t.graphDiv.emit(\"plotly_unhover\",h)}).on(\"mousedown\",function(){s.loneUnhover(t.hoverContainer)}).on(\"mouseup\",r),f.exit().remove()}),h.selectAll(\"*\").remove();for(var p=0;p<f.length;p++)a=f[p],c.select(\"g.\"+a).remove(),t.drawTopo(h,a,r),t.styleLayer(h,a,r);g.style(t)},g.style=function(t){t.framework.selectAll(\"g.trace.choropleth\").each(function(t){var e=o.select(this),r=t.marker||{},n=r.line||{},i=t.zmin,a=t.zmax,s=c(t.colorscale),f=h(s,i,a);e.selectAll(\"path.choroplethlocation\").each(function(t){o.select(this).attr(\"fill\",function(t){return f(t.z)}).call(l.stroke,t.mlc||n.color).call(u.dashLine,\"\",t.mlw||n.width)})})}},{\"../../components/color\":483,\"../../components/colorscale/get_scale\":495,\"../../components/colorscale/make_scale_function\":500,\"../../components/drawing\":506,\"../../lib/array_to_calc_item\":559,\"../../lib/geo_location_utils\":565,\"../../lib/topojson_utils\":582,\"../../plots/cartesian/axes\":592,\"../../plots/cartesian/graph_interact\":599,\"../../plots/geo/constants\":611,\"./attributes\":691,d3:119}],696:[function(t,e,r){\"use strict\";var n=t(\"../heatmap/attributes\"),i=t(\"../scatter/attributes\"),o=t(\"../../components/colorscale/attributes\"),a=t(\"../../lib/extend\").extendFlat,s=i.line;e.exports=a({},{z:n.z,x:n.x,x0:n.x0,dx:n.dx,y:n.y,y0:n.y0,dy:n.dy,text:n.text,transpose:n.transpose,xtype:n.xtype,ytype:n.ytype,connectgaps:n.connectgaps,autocontour:{valType:\"boolean\",dflt:!0},ncontours:{valType:\"integer\",dflt:0},contours:{start:{valType:\"number\",dflt:null},end:{valType:\"number\",dflt:null},size:{valType:\"number\",dflt:null},coloring:{valType:\"enumerated\",values:[\"fill\",\"heatmap\",\"lines\",\"none\"],dflt:\"fill\"},showlines:{valType:\"boolean\",dflt:!0}},line:{color:a({},s.color,{}),width:s.width,dash:s.dash,smoothing:a({},s.smoothing,{})},_nestedModules:{colorbar:\"Colorbar\"}},o,{autocolorscale:a({},o.autocolorscale,{dflt:!1})})},{\"../../components/colorscale/attributes\":489,\"../../lib/extend\":563,\"../heatmap/attributes\":706,\"../scatter/attributes\":750}],697:[function(t,e,r){\"use strict\";var n=t(\"../../plots/cartesian/axes\"),i=t(\"../heatmap/calc\");e.exports=function(t,e){var r=i(t,e),o=e.contours;if(e.autocontour!==!1){var a={type:\"linear\",range:[e.zmin,e.zmax]};n.autoTicks(a,(e.zmax-e.zmin)/(e.ncontours||15)),o.start=n.tickFirst(a),o.size=a.dtick,a.range.reverse(),o.end=n.tickFirst(a),o.start===e.zmin&&(o.start+=o.size),o.end===e.zmax&&(o.end-=o.size),o.end+=o.size/100,e._input.contours=o}return r}},{\"../../plots/cartesian/axes\":592,\"../heatmap/calc\":707}],698:[function(t,e,r){\"use strict\";var n=t(\"../../plots/plots\"),i=t(\"../../components/colorbar/draw\"),o=t(\"./make_color_map\");e.exports=function(t,e){var r=e[0].trace,a=\"cb\"+r.uid;if(t._fullLayout._infolayer.selectAll(\".\"+a).remove(),r.showscale===!1)return void n.autoMargin(t,a);var s=i(t,a);e[0].t.cb=s;var l=r.contours,u=r.line,c=l.size||1,h=l.coloring,f=o(r,{isColorbar:!0});\"heatmap\"===h&&s.filllevels({start:r.zmin,end:r.zmax,size:(r.zmax-r.zmin)/254}),s.fillcolor(\"fill\"===h||\"heatmap\"===h?f:\"\").line({color:\"lines\"===h?f:u.color,width:l.showlines!==!1?u.width:0,dash:u.dash}).levels({start:l.start,end:l.end,size:c}).options(r.colorbar)()}},{\"../../components/colorbar/draw\":486,\"../../plots/plots\":648,\"./make_color_map\":702}],699:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"../heatmap/has_columns\"),o=t(\"../heatmap/xyz_defaults\"),a=t(\"../contour/style_defaults\"),s=t(\"./attributes\");e.exports=function(t,e,r,l){function u(r,i){return n.coerce(t,e,s,r,i)}var c=o(t,e,u);if(!c)return void(e.visible=!1);u(\"text\"),u(\"connectgaps\",i(e));var h=n.coerce2(t,e,s,\"contours.start\"),f=n.coerce2(t,e,s,\"contours.end\"),d=u(\"autocontour\",!(h&&f));u(d?\"ncontours\":\"contours.size\"),a(t,e,u,l)}},{\"../../lib\":568,\"../contour/style_defaults\":705,\"../heatmap/has_columns\":711,\"../heatmap/xyz_defaults\":717,\"./attributes\":696}],700:[function(t,e,r){\"use strict\";var n=t(\"../heatmap/hover\");e.exports=function(t,e,r,i){return n(t,e,r,i,!0)}},{\"../heatmap/hover\":712}],701:[function(t,e,r){\"use strict\";var n={};n.attributes=t(\"./attributes\"),n.supplyDefaults=t(\"./defaults\"),n.calc=t(\"./calc\"),n.plot=t(\"./plot\"),n.style=t(\"./style\"),n.colorbar=t(\"./colorbar\"),n.hoverPoints=t(\"./hover\"),n.moduleType=\"trace\",n.name=\"contour\",n.basePlotModule=t(\"../../plots/cartesian\"),n.categories=[\"cartesian\",\"2dMap\",\"contour\"],n.meta={},e.exports=n},{\"../../plots/cartesian\":600,\"./attributes\":696,\"./calc\":697,\"./colorbar\":698,\"./defaults\":699,\"./hover\":700,\"./plot\":703,\"./style\":704}],702:[function(t,e,r){\"use strict\";var n=t(\"d3\"),i=t(\"../../components/colorscale/get_scale\");e.exports=function(t){var e,r,o=t.contours,a=o.start,s=o.end,l=o.size||1,u=Math.floor((s+l/10-a)/l)+1,c=\"lines\"===o.coloring?0:1,h=i(t.colorscale),f=h.length,d=new Array(f),p=new Array(f);if(\"heatmap\"===o.coloring){for(t.zauto&&t.autocontour===!1&&(t.zmin=a-l/2,t.zmax=t.zmin+u*l),r=0;f>r;r++)e=h[r],d[r]=e[0]*(t.zmax-t.zmin)+t.zmin,p[r]=e[1];var v=n.extent([t.zmin,t.zmax,o.start,o.start+l*(u-1)]),m=v[t.zmin<t.zmax?0:1],g=v[t.zmin<t.zmax?1:0];m!==t.zmin&&(d.splice(0,0,m),p.splice(0,0,Range[0])),g!==t.zmax&&(d.push(g),p.push(p[p.length-1]))}else for(r=0;f>r;r++)e=h[r],d[r]=(e[0]*(u+c-1)-c/2)*l+a,p[r]=e[1];var y=n.scale.linear().interpolate(n.interpolateRgb).domain(d).range(p);return y}},{\"../../components/colorscale/get_scale\":495,d3:119}],703:[function(t,e,r){\"use strict\";function n(t,e,r){var n=r[0].trace,o=r[0].x,s=r[0].y,u=n.contours,c=n.uid,h=e.x(),f=e.y(),m=t._fullLayout,b=\"contour\"+c,x=i(u,e,r[0]);if(n.visible!==!0)return m._paper.selectAll(\".\"+b+\",.hm\"+c).remove(),void m._infolayer.selectAll(\".cb\"+c).remove();\"heatmap\"===u.coloring?(n.zauto&&n.autocontour===!1&&(n._input.zmin=n.zmin=u.start-u.size/2,n._input.zmax=n.zmax=n.zmin+x.length*u.size),M(t,e,[r])):m._paper.selectAll(\".hm\"+c).remove(),a(x),l(x);var _=h.c2p(o[0],!0),w=h.c2p(o[o.length-1],!0),k=f.c2p(s[0],!0),A=f.c2p(s[s.length-1],!0),T=[[_,A],[w,A],[w,k],[_,k]],E=d(e,r,b);p(E,T,u),v(E,x,T,u),g(E,x,u),y(E,e,r[0],T)}function i(t,e,r){for(var n=t.size||1,i=[],o=t.start;o<t.end+n/10;o+=n)i.push({level:o,crossings:{},starts:[],edgepaths:[],paths:[],xaxis:e.x(),yaxis:e.y(),x:r.x,y:r.y,z:r.z,smoothing:r.trace.line.smoothing});return i}function o(t,e){var r=(e[0][0]>t?0:1)+(e[0][1]>t?0:2)+(e[1][1]>t?0:4)+(e[1][0]>t?0:8);if(5===r||10===r){var n=(e[0][0]+e[0][1]+e[1][0]+e[1][1])/4;return t>n?5===r?713:1114:5===r?104:208}return 15===r?0:r}function a(t){var e,r,n,i,a,s,l,u,c,h=t[0].z,f=h.length,d=h[0].length,p=2===f||2===d;for(r=0;f-1>r;r++)for(i=[],0===r&&(i=i.concat(k)),r===f-2&&(i=i.concat(A)),e=0;d-1>e;e++)for(n=i.slice(),0===e&&(n=n.concat(T)),e===d-2&&(n=n.concat(E)),a=e+\",\"+r,s=[[h[r][e],h[r][e+1]],[h[r+1][e],h[r+1][e+1]]],c=0;c<t.length;c++)u=t[c],l=o(u.level,s),l&&(u.crossings[a]=l,-1!==n.indexOf(l)&&(u.starts.push([e,r]),p&&-1!==n.indexOf(l,n.indexOf(l)+1)&&u.starts.push([e,r])))}function s(t,e,r){function n(t){return d[t%d.length]}var i,o=e.join(\",\"),a=o,s=t.crossings[a],l=u(s,r,e),d=[f(t,e,[-l[0],-l[1]])],p=l.join(\",\"),v=t.z.length,m=t.z[0].length;for(i=0;1e4>i;i++){if(s>20?(s=L[s][(l[0]||l[1])<0?0:1],t.crossings[a]=z[s]):delete t.crossings[a],l=S[s],!l){_.log(\"Found bad marching index:\",s,e,t.level);break}if(d.push(f(t,e,l)),e[0]+=l[0],e[1]+=l[1],c(d[d.length-1],d[d.length-2])&&d.pop(),a=e.join(\",\"),a===o&&l.join(\",\")===p||r&&(l[0]&&(e[0]<0||e[0]>m-2)||l[1]&&(e[1]<0||e[1]>v-2)))break;s=t.crossings[a]}1e4===i&&_.log(\"Infinite loop in contour?\");var g,y,b,x,w,M,k,A=c(d[0],d[d.length-1]),T=0,E=.2*t.smoothing,I=[],P=0;for(i=1;i<d.length;i++)k=h(d[i],d[i-1]),T+=k,I.push(k);var C=T/I.length*E;for(i=d.length-2;i>=P;i--)if(g=I[i],C>g){for(b=0,y=i-1;y>=P&&g+I[y]<C;y--)g+=I[y];if(A&&i===d.length-2)for(b=0;y>b&&g+I[b]<C;b++)g+=I[b];w=i-y+b+1,M=Math.floor((i+y+b+2)/2),x=A||i!==d.length-2?A||-1!==y?w%2?n(M):[(n(M)[0]+n(M+1)[0])/2,(n(M)[1]+n(M+1)[1])/2]:d[0]:d[d.length-1],d.splice(y+1,i-y+1,x),i=y+1,b&&(P=b),A&&(i===d.length-2?d[b]=d[d.length-1]:0===i&&(d[d.length-1]=d[0]))}if(d.splice(0,P),!(d.length<2))if(A)d.pop(),t.paths.push(d);else{r||_.log(\"Unclosed interior contour?\",t.level,o,d.join(\"L\"));var R=!1;t.edgepaths.forEach(function(e,r){if(!R&&c(e[0],d[d.length-1])){d.pop(),R=!0;var n=!1;t.edgepaths.forEach(function(e,i){!n&&c(e[e.length-1],d[0])&&(n=!0,d.splice(0,1),t.edgepaths.splice(r,1),i===r?t.paths.push(d.concat(e)):t.edgepaths[i]=t.edgepaths[i].concat(d,e))}),n||(t.edgepaths[r]=d.concat(e))}}),t.edgepaths.forEach(function(e,r){!R&&c(e[e.length-1],d[0])&&(d.splice(0,1),t.edgepaths[r]=e.concat(d),R=!0)}),R||t.edgepaths.push(d)}}function l(t){var e,r,n,i,o;for(n=0;n<t.length;n++){for(i=t[n],o=0;o<i.starts.length;o++)r=i.starts[o],s(i,r,\"edge\");for(e=0;Object.keys(i.crossings).length&&1e4>e;)e++,r=Object.keys(i.crossings)[0].split(\",\").map(Number),s(i,r);1e4===e&&_.log(\"Infinite loop in contour?\")}}function u(t,e,r){var n=0,i=0;return t>20&&e?208===t||1114===t?n=0===r[0]?1:-1:i=0===r[1]?1:-1:-1!==k.indexOf(t)?i=1:-1!==T.indexOf(t)?n=1:-1!==A.indexOf(t)?i=-1:n=-1,[n,i]}function c(t,e){return Math.abs(t[0]-e[0])<.01&&Math.abs(t[1]-e[1])<.01}function h(t,e){var r=t[0]-e[0],n=t[1]-e[1];return Math.sqrt(r*r+n*n)}function f(t,e,r){var n=e[0]+Math.max(r[0],0),i=e[1]+Math.max(r[1],0),o=t.z[i][n],a=t.xaxis,s=t.yaxis;if(r[1]){var l=(t.level-o)/(t.z[i][n+1]-o);return[a.c2p((1-l)*t.x[n]+l*t.x[n+1],!0),s.c2p(t.y[i],!0)]}var u=(t.level-o)/(t.z[i+1][n]-o);return[a.c2p(t.x[n],!0),s.c2p((1-u)*t.y[i]+u*t.y[i+1],!0)]}function d(t,e,r){var n=t.plot.select(\".maplayer\").selectAll(\"g.contour.\"+r).data(e);return n.enter().append(\"g\").classed(\"contour\",!0).classed(r,!0),n.exit().remove(),n}function p(t,e,r){var n=t.selectAll(\"g.contourbg\").data([0]);n.enter().append(\"g\").classed(\"contourbg\",!0);var i=n.selectAll(\"path\").data(\"fill\"===r.coloring?[0]:[]);i.enter().append(\"path\"),i.exit().remove(),i.attr(\"d\",\"M\"+e.join(\"L\")+\"Z\").style(\"stroke\",\"none\")}function v(t,e,r,n){var i=t.selectAll(\"g.contourfill\").data([0]);i.enter().append(\"g\").classed(\"contourfill\",!0);var o=i.selectAll(\"path\").data(\"fill\"===n.coloring?e:[]);o.enter().append(\"path\"),o.exit().remove(),o.each(function(t){var e=m(t,r);e?x.select(this).attr(\"d\",e).style(\"stroke\",\"none\"):x.select(this).remove()})}function m(t,e){function r(t){return Math.abs(t[1]-e[0][1])<.01}function n(t){return Math.abs(t[1]-e[2][1])<.01}function i(t){return Math.abs(t[0]-e[0][0])<.01}function o(t){return Math.abs(t[0]-e[2][0])<.01}for(var a,s,l,u,c,h,f=t.edgepaths.length||t.z[0][0]<t.level?\"\":\"M\"+e.join(\"L\")+\"Z\",d=0,p=t.edgepaths.map(function(t,e){return e}),v=!0;p.length;){for(h=w.smoothopen(t.edgepaths[d],t.smoothing),f+=v?h:h.replace(/^M/,\"L\"),p.splice(p.indexOf(d),1),a=t.edgepaths[d][t.edgepaths[d].length-1],u=-1,l=0;4>l;l++){if(!a){_.log(\"Missing end?\",d,t);break}for(r(a)&&!o(a)?s=e[1]:i(a)?s=e[0]:n(a)?s=e[3]:o(a)&&(s=e[2]),c=0;c<t.edgepaths.length;c++){var m=t.edgepaths[c][0];Math.abs(a[0]-s[0])<.01?Math.abs(a[0]-m[0])<.01&&(m[1]-a[1])*(s[1]-m[1])>=0&&(s=m,u=c):Math.abs(a[1]-s[1])<.01?Math.abs(a[1]-m[1])<.01&&(m[0]-a[0])*(s[0]-m[0])>=0&&(s=m,u=c):_.log(\"endpt to newendpt is not vert. or horz.\",a,s,m)}if(a=s,u>=0)break;f+=\"L\"+s}if(u===t.edgepaths.length){_.log(\"unclosed perimeter path\");break}d=u,v=-1===p.indexOf(d),v&&(d=p[0],f+=\"Z\")}for(d=0;d<t.paths.length;d++)f+=w.smoothclosed(t.paths[d],t.smoothing);return f}function g(t,e,r){var n=e[0].smoothing,i=t.selectAll(\"g.contourlevel\").data(r.showlines===!1?[]:e);i.enter().append(\"g\").classed(\"contourlevel\",!0),i.exit().remove();var o=i.selectAll(\"path.openline\").data(function(t){return t.edgepaths});o.enter().append(\"path\").classed(\"openline\",!0),o.exit().remove(),o.attr(\"d\",function(t){return w.smoothopen(t,n)}).style(\"stroke-miterlimit\",1);var a=i.selectAll(\"path.closedline\").data(function(t){return t.paths});a.enter().append(\"path\").classed(\"closedline\",!0),a.exit().remove(),a.attr(\"d\",function(t){return w.smoothclosed(t,n)}).style(\"stroke-miterlimit\",1)}function y(t,e,r,n){var i=\"clip\"+r.trace.uid,o=e.plot.selectAll(\"defs\").data([0]);o.enter().append(\"defs\");var s=o.selectAll(\"#\"+i).data(r.trace.connectgaps?[]:[0]);if(s.enter().append(\"clipPath\").attr(\"id\",i),s.exit().remove(),r.trace.connectgaps===!1){var u={level:.9,crossings:{},starts:[],edgepaths:[],paths:[],xaxis:e.x(),yaxis:e.y(),x:r.x,y:r.y,z:b(r),smoothing:0};a([u]),l([u]);var c=m(u,n),h=s.selectAll(\"path\").data([0]);h.enter().append(\"path\"),h.attr(\"d\",c)}else i=null;t.call(w.setClipUrl,i),e.plot.selectAll(\".hm\"+r.trace.uid).call(w.setClipUrl,i)}function b(t){var e,r,n=t.trace._emptypoints,i=[],o=t.z.length,a=t.z[0].length,s=[];for(e=0;a>e;e++)s.push(1);for(e=0;o>e;e++)i.push(s.slice());for(e=0;e<n.length;e++)r=n[e],i[r[0]][r[1]]=0;return t.zmask=i,i}var x=t(\"d3\"),_=t(\"../../lib\"),w=t(\"../../components/drawing\"),M=t(\"../heatmap/plot\");e.exports=function(t,e,r){for(var i=0;i<r.length;i++)n(t,e,r[i])};var k=[1,9,13,104,713],A=[4,6,7,104,713],T=[8,12,14,208,1114],E=[2,3,11,208,1114],S=[null,[-1,0],[0,-1],[-1,0],[1,0],null,[0,-1],[-1,0],[0,1],[0,1],null,[0,1],[1,0],[1,0],[0,-1]],L={104:[4,1],208:[2,8],713:[7,13],1114:[11,14]},z={1:4,2:8,4:1,7:13,8:2,11:14,13:7,14:11}},{\"../../components/drawing\":506,\"../../lib\":568,\"../heatmap/plot\":715,d3:119}],704:[function(t,e,r){\"use strict\";var n=t(\"d3\"),i=t(\"../../components/drawing\"),o=t(\"../heatmap/style\"),a=t(\"./make_color_map\");e.exports=function(t){var e=n.select(t).selectAll(\"g.contour\");e.style(\"opacity\",function(t){return t.trace.opacity}),e.each(function(t){var e=n.select(this),r=t.trace,o=r.contours,s=r.line,l=o.size||1,u=o.start,c=a(r);e.selectAll(\"g.contourlevel\").each(function(t,e){n.select(this).selectAll(\"path\").call(i.lineGroupStyle,s.width,\"lines\"===o.coloring?c(u+e*l):s.color,s.dash)}),e.selectAll(\"g.contourbg path\").style(\"fill\",c(u-l/2)),e.selectAll(\"g.contourfill path\").style(\"fill\",function(t,e){return c(u+(e+.5)*l)})}),o(t)}},{\"../../components/drawing\":506,\"../heatmap/style\":716,\"./make_color_map\":702,d3:119}],705:[function(t,e,r){\"use strict\";var n=t(\"../../components/colorscale/defaults\");e.exports=function(t,e,r,i){var o,a=r(\"contours.coloring\");\"fill\"===a&&(o=r(\"contours.showlines\")),o!==!1&&(\"lines\"!==a&&r(\"line.color\",\"#000\"),r(\"line.width\",.5),r(\"line.dash\")),r(\"line.smoothing\"),\"none\"!==(e.contours||{}).coloring&&n(t,e,i,r,{prefix:\"\",cLetter:\"z\"})}},{\"../../components/colorscale/defaults\":493}],706:[function(t,e,r){\"use strict\";var n=t(\"../scatter/attributes\"),i=t(\"../../components/colorscale/attributes\"),o=t(\"../../lib/extend\").extendFlat;e.exports=o({},{z:{valType:\"data_array\"},x:n.x,x0:n.x0,dx:n.dx,y:n.y,y0:n.y0,dy:n.dy,text:{valType:\"data_array\"},transpose:{valType:\"boolean\",dflt:!1},xtype:{valType:\"enumerated\",values:[\"array\",\"scaled\"]},ytype:{valType:\"enumerated\",values:[\"array\",\"scaled\"]},zsmooth:{valType:\"enumerated\",values:[\"fast\",\"best\",!1],dflt:!1},connectgaps:{valType:\"boolean\",dflt:!1},_nestedModules:{colorbar:\"Colorbar\"}},i,{autocolorscale:o({},i.autocolorscale,{dflt:!1})})},{\"../../components/colorscale/attributes\":489,\"../../lib/extend\":563,\"../scatter/attributes\":750}],707:[function(t,e,r){\"use strict\";function n(t){function e(t){return u(t)?+t:void 0}var r,n,i,o,a,s,l=t.z;if(t.transpose){for(r=0,a=0;a<l.length;a++)r=Math.max(r,l[a].length);if(0===r)return!1;i=function(t){return t.length},o=function(t,e,r){return t[r][e]}}else r=l.length,i=function(t,e){return t[e].length},o=function(t,e,r){return t[e][r]};var c=new Array(r);for(a=0;r>a;a++)for(n=i(l,a),c[a]=new Array(n),s=0;n>s;s++)c[a][s]=e(o(l,a,s));return c}function i(t,e,r,n,i,o){var a,s,l,u=[],c=f.traceIs(t,\"contour\"),h=f.traceIs(t,\"histogram\"),d=f.traceIs(t,\"gl2d\"),p=Array.isArray(e)&&e.length>1;if(p&&!h&&\"category\"!==o.type){e=e.map(o.d2c);var v=e.length;if(!(i>=v))return c?e.slice(0,i):e.slice(0,i+1);if(c||d)u=e.slice(0,i);else if(1===i)u=[e[0]-.5,e[0]+.5];else{for(u=[1.5*e[0]-.5*e[1]],l=1;v>l;l++)u.push(.5*(e[l-1]+e[l]));u.push(1.5*e[v-1]-.5*e[v-2])}if(i>v){var m=u[u.length-1],g=m-u[u.length-2];for(l=v;i>l;l++)m+=g,u.push(m)}}else for(s=n||1,a=h||\"category\"===o.type?r||0:Array.isArray(e)&&1===e.length?e[0]:void 0===r?0:o.d2c(r),l=c||d?0:-.5;i>l;l++)u.push(a+s*l);return u}function o(t){return.5-.25*Math.min(1,.5*t)}function a(t,e,r){var n,i,a=1;if(Array.isArray(r))for(n=0;n<e.length;n++)i=e[n],t[i[0]][i[1]]=r[i[0]][i[1]];else l(t,e);for(n=0;n<e.length&&!(e[n][2]<4);n++);for(e=e.slice(n),n=0;100>n&&a>y;n++)a=l(t,e,o(a));return a>y&&c.log(\"interp2d didn't converge quickly\",a),t}function s(t){var e,r,n,i,o,a,s,l,u=[],c={},h=[],f=t[0],d=[],p=[0,0,0],v=g(t);for(r=0;r<t.length;r++)for(e=d,d=f,f=t[r+1]||[],n=0;v>n;n++)void 0===d[n]&&(a=(void 0!==d[n-1]?1:0)+(void 0!==d[n+1]?1:0)+(void 0!==e[n]?1:0)+(void 0!==f[n]?1:0),a?(0===r&&a++,0===n&&a++,r===t.length-1&&a++,n===d.length-1&&a++,4>a&&(c[[r,n]]=[r,n,a]),u.push([r,n,a])):h.push([r,n]));for(;h.length;){for(s={},l=!1,o=h.length-1;o>=0;o--)i=h[o],r=i[0],n=i[1],a=((c[[r-1,n]]||p)[2]+(c[[r+1,n]]||p)[2]+(c[[r,n-1]]||p)[2]+(c[[r,n+1]]||p)[2])/20,a&&(s[i]=[r,n,a],h.splice(o,1),l=!0);if(!l)throw\"findEmpties iterated with no new neighbors\";for(i in s)c[i]=s[i],u.push(s[i])}return u.sort(function(t,e){return e[2]-t[2]})}function l(t,e,r){var n,i,o,a,s,l,u,c,h,f,d,p,v,m=0;for(a=0;a<e.length;a++){for(n=e[a],i=n[0],o=n[1],d=t[i][o],f=0,h=0,s=0;4>s;s++)l=b[s],u=t[i+l[0]],u&&(c=u[o+l[1]],void 0!==c&&(0===f?p=v=c:(p=Math.min(p,c),v=Math.max(v,c)),h++,f+=c));if(0===h)throw\"iterateInterp2d order is wrong: no defined neighbors\";t[i][o]=f/h,void 0===d?4>h&&(m=1):(t[i][o]=(1+r)*t[i][o]-r*d,v>p&&(m=Math.max(m,Math.abs(t[i][o]-d)/(v-p))))}return m}var u=t(\"fast-isnumeric\"),c=t(\"../../lib\"),h=t(\"../../plots/cartesian/axes\"),f=t(\"../../plots/plots\"),d=t(\"../histogram2d/calc\"),p=t(\"../../components/colorscale/calc\"),v=t(\"./has_columns\"),m=t(\"./convert_column_xyz\"),g=t(\"./max_row_length\");e.exports=function(t,e){function r(t){E=e._input.zsmooth=e.zsmooth=!1,c.notifier(\"cannot fast-zsmooth: \"+t)}var o,l,u,y,b,x,_,w,M=h.getFromId(t,e.xaxis||\"x\"),k=h.getFromId(t,e.yaxis||\"y\"),A=f.traceIs(e,\"contour\"),T=f.traceIs(e,\"histogram\"),E=A?\"best\":e.zsmooth;if(M._minDtick=0,k._minDtick=0,T){var S=d(t,e);o=S.x,l=S.x0,u=S.dx,y=S.y,b=S.y0,x=S.dy,_=S.z}else v(e)&&m(e,M,k),o=e.x?M.makeCalcdata(e,\"x\"):[],y=e.y?k.makeCalcdata(e,\"y\"):[],l=e.x0||0,u=e.dx||1,b=e.y0||0,x=e.dy||1,_=n(e),(A||e.connectgaps)&&(e._emptypoints=s(_),e._interpz=a(_,e._emptypoints,e._interpz));if(\"fast\"===E)if(\"log\"===M.type||\"log\"===k.type)r(\"log axis found\");else if(!T){if(o.length){var L=(o[o.length-1]-o[0])/(o.length-1),z=Math.abs(L/100);for(w=0;w<o.length-1;w++)if(Math.abs(o[w+1]-o[w]-L)>z){r(\"x scale is not linear\");break}}if(y.length&&\"fast\"===E){var I=(y[y.length-1]-y[0])/(y.length-1),P=Math.abs(I/100);for(w=0;w<y.length-1;w++)if(Math.abs(y[w+1]-y[w]-I)>P){r(\"y scale is not linear\");break}}}var C=g(_),R=\"scaled\"===e.xtype?\"\":e.x,D=i(e,R,l,u,C,M),O=\"scaled\"===e.ytype?\"\":e.y,F=i(e,O,b,x,_.length,k);h.expand(M,D),h.expand(k,F);var j={x:D,y:F,z:_};if(p(e,_,\"\",\"z\"),A&&e.contours&&\"heatmap\"===e.contours.coloring){var N=\"contour\"===e.type?\"heatmap\":\"histogram2d\";j.xfill=i(N,R,l,u,C,M),j.yfill=i(N,O,b,x,_.length,k)}return[j]};var y=.01,b=[[-1,0],[1,0],[0,-1],[0,1]]},{\"../../components/colorscale/calc\":490,\"../../lib\":568,\"../../plots/cartesian/axes\":592,\"../../plots/plots\":648,\"../histogram2d/calc\":727,\"./convert_column_xyz\":709,\"./has_columns\":711,\"./max_row_length\":714,\"fast-isnumeric\":123}],708:[function(t,e,r){\"use strict\";var n=t(\"d3\"),i=t(\"fast-isnumeric\"),o=t(\"../../lib\"),a=t(\"../../plots/plots\"),s=t(\"../../components/colorscale/get_scale\"),l=t(\"../../components/colorbar/draw\");e.exports=function(t,e){var r=e[0].trace,u=\"cb\"+r.uid,c=s(r.colorscale),h=r.zmin,f=r.zmax;if(i(h)||(h=o.aggNums(Math.min,null,r.z)),i(f)||(f=o.aggNums(Math.max,null,r.z)),t._fullLayout._infolayer.selectAll(\".\"+u).remove(),!r.showscale)return void a.autoMargin(t,u);var d=e[0].t.cb=l(t,u);d.fillcolor(n.scale.linear().domain(c.map(function(t){return h+t[0]*(f-h)})).range(c.map(function(t){return t[1]}))).filllevels({start:h,end:f,size:(f-h)/254}).options(r.colorbar)()}},{\"../../components/colorbar/draw\":486,\"../../components/colorscale/get_scale\":495,\"../../lib\":568,\"../../plots/plots\":648,d3:119,\"fast-isnumeric\":123}],709:[function(t,e,r){\"use strict\";var n=t(\"../../lib\");e.exports=function(t,e,r){var i,o=t.x.slice(),a=t.y.slice(),s=t.z,l=t.text,u=Math.min(o.length,a.length,s.length),c=void 0!==l&&!Array.isArray(l[0]);for(u<o.length&&(o=o.slice(0,u)),u<a.length&&(a=a.slice(0,u)),i=0;u>i;i++)o[i]=e.d2c(o[i]),a[i]=r.d2c(a[i]);var h,f,d,p=n.distinctVals(o),v=p.vals,m=n.distinctVals(a),g=m.vals,y=n.init2dArray(g.length,v.length);for(c&&(d=n.init2dArray(g.length,v.length)),i=0;u>i;i++)h=n.findBin(o[i]+p.minDiff/2,v),f=n.findBin(a[i]+m.minDiff/2,g),y[f][h]=s[i],c&&(d[f][h]=l[i]);t.x=v,t.y=g,t.z=y,c&&(t.text=d)}},{\"../../lib\":568}],710:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"./has_columns\"),o=t(\"./xyz_defaults\"),a=t(\"../../components/colorscale/defaults\"),s=t(\"./attributes\");e.exports=function(t,e,r,l){function u(r,i){return n.coerce(t,e,s,r,i)}var c=o(t,e,u);return c?(u(\"text\"),u(\"zsmooth\"),u(\"connectgaps\",i(e)&&e.zsmooth!==!1),void a(t,e,l,u,{prefix:\"\",cLetter:\"z\"})):void(e.visible=!1)}},{\"../../components/colorscale/defaults\":493,\"../../lib\":568,\"./attributes\":706,\"./has_columns\":711,\"./xyz_defaults\":717}],711:[function(t,e,r){\"use strict\";e.exports=function(t){return!Array.isArray(t.z[0])}},{}],712:[function(t,e,r){\"use strict\";var n=t(\"../../plots/cartesian/graph_interact\"),i=t(\"../../lib\"),o=t(\"../../plots/cartesian/constants\").MAXDIST;e.exports=function(t,e,r,a,s){if(!(t.distance<o)){var l,u,c,h,f=t.cd[0],d=f.trace,p=t.xa,v=t.ya,m=f.x,g=f.y,y=f.z,b=f.zmask,x=m,_=g;if(t.index!==!1){try{c=Math.round(t.index[1]),h=Math.round(t.index[0])}catch(w){return void i.error(\"Error hovering on heatmap, pointNumber must be [row,col], found:\",t.index)}if(0>c||c>=y[0].length||0>h||h>y.length)return}else{if(n.inbox(e-m[0],e-m[m.length-1])>o||n.inbox(r-g[0],r-g[g.length-1])>o)return;if(s){var M;for(x=[2*m[0]-m[1]],M=1;M<m.length;M++)x.push((m[M]+m[M-1])/2);for(x.push([2*m[m.length-1]-m[m.length-2]]),_=[2*g[0]-g[1]],M=1;M<g.length;M++)_.push((g[M]+g[M-1])/2);_.push([2*g[g.length-1]-g[g.length-2]])}c=Math.max(0,Math.min(x.length-2,i.findBin(e,x))),h=Math.max(0,Math.min(_.length-2,i.findBin(r,_)))}var k=p.c2p(m[c]),A=p.c2p(m[c+1]),T=v.c2p(g[h]),E=v.c2p(g[h+1]);s?(A=k,l=m[c],E=T,u=g[h]):(l=(m[c]+m[c+1])/2,u=(g[h]+g[h+1])/2,d.zsmooth&&(k=A=(k+A)/2,T=E=(T+E)/2));var S=y[h][c];b&&!b[h][c]&&(S=void 0);var L;return Array.isArray(d.text)&&Array.isArray(d.text[h])&&(L=d.text[h][c]),[i.extendFlat(t,{index:[h,c],distance:o+10,x0:k,x1:A,y0:T,y1:E,xLabelVal:l,yLabelVal:u,zLabelVal:S,text:L})]}}},{\"../../lib\":568,\"../../plots/cartesian/constants\":597,\"../../plots/cartesian/graph_interact\":599}],713:[function(t,e,r){\"use strict\";var n={};n.attributes=t(\"./attributes\"),n.supplyDefaults=t(\"./defaults\"),n.calc=t(\"./calc\"),n.plot=t(\"./plot\"),n.colorbar=t(\"./colorbar\"),n.style=t(\"./style\"),n.hoverPoints=t(\"./hover\"),n.moduleType=\"trace\",n.name=\"heatmap\",n.basePlotModule=t(\"../../plots/cartesian\"),n.categories=[\"cartesian\",\"2dMap\"],n.meta={},e.exports=n},{\"../../plots/cartesian\":600,\"./attributes\":706,\"./calc\":707,\"./colorbar\":708,\"./defaults\":710,\"./hover\":712,\"./plot\":715,\"./style\":716}],714:[function(t,e,r){\"use strict\";e.exports=function(t){for(var e=0,r=0;r<t.length;r++)e=Math.max(e,t[r].length);return e}},{}],715:[function(t,e,r){\"use strict\";function n(t,e,r){function n(t,e){var r=e.length-2,n=a.constrain(a.findBin(t,e),0,r),i=e[n],o=e[n+1],s=a.constrain(n+(t-i)/(o-i)-.5,0,r),l=Math.round(s),u=Math.abs(s-l);return s&&s!==r&&u?{bin0:l,frac:u,bin1:Math.round(l+u/(s-l))}:{bin0:l,bin1:l,frac:0}}function h(t,e){if(void 0!==t){var r=Z((t-E)/(S-E));return r[0]=Math.round(r[0]),r[1]=Math.round(r[1]),r[2]=Math.round(r[2]),at+=e,st+=r[0]*e,lt+=r[1]*e,ut+=r[2]*e,r}return[0,0,0,0]}function f(t,e,r){t[e]=r[0],t[e+1]=r[1],t[e+2]=r[2],t[e+3]=Math.round(255*r[3])}function d(t,e,r,n){var i=t[r.bin0];if(void 0===i)return h(void 0,1);var o,a=t[r.bin1],s=e[r.bin0],l=e[r.bin1],u=a-i||0,c=s-i||0;return o=void 0===a?void 0===l?0:void 0===s?2*(l-i):2*(2*l-s-i)/3:void 0===l?void 0===s?0:2*(2*i-a-s)/3:void 0===s?2*(2*l-a-i)/3:l+i-a-s,h(i+r.frac*u+n.frac*(c+r.frac*o))}var p=r[0].trace,v=p.uid,m=e.x(),g=e.y(),y=t._fullLayout,b=\"hm\"+v;if(y._paper.selectAll(\".contour\"+v).remove(),p.visible!==!0)return y._paper.selectAll(\".\"+b).remove(),void y._infolayer.selectAll(\".cb\"+v).remove();\nvar x,_,w,M,k,A,T=r[0].z,E=p.zmin,S=p.zmax,L=l(p.colorscale),z=r[0].x,I=r[0].y,P=s.traceIs(p,\"contour\"),C=P?\"best\":p.zsmooth,R=T.length,D=c(T),O=!1,F=!1;for(A=0;void 0===x&&A<z.length-1;)x=m.c2p(z[A]),A++;for(A=z.length-1;void 0===_&&A>0;)_=m.c2p(z[A]),A--;for(x>_&&(w=_,_=x,x=w,O=!0),A=0;void 0===M&&A<I.length-1;)M=g.c2p(I[A]),A++;for(A=I.length-1;void 0===k&&A>0;)k=g.c2p(I[A]),A--;if(M>k&&(w=M,M=k,k=w,F=!0),P&&(z=r[0].xfill,I=r[0].yfill),\"fast\"!==C){var j=\"best\"===C?0:.5;x=Math.max(-j*m._length,x),_=Math.min((1+j)*m._length,_),M=Math.max(-j*g._length,M),k=Math.min((1+j)*g._length,k)}var N=Math.round(_-x),B=Math.round(k-M),U=0>=N||0>=B,V=e.plot.select(\".imagelayer\").selectAll(\"g.hm.\"+b).data(U?[]:[0]);if(V.enter().append(\"g\").classed(\"hm\",!0).classed(b,!0),V.exit().remove(),!U){var q,G;\"fast\"===C?(q=D,G=R):(q=N,G=B);var H=document.createElement(\"canvas\");H.width=q,H.height=G;var X,Y,W=H.getContext(\"2d\"),Z=i.scale.linear().domain(L.map(function(t){return t[0]})).range(L.map(function(t){var e=o(t[1]).toRgb();return[e.r,e.g,e.b,e.a]})).clamp(!0);\"fast\"===C?(X=O?function(t){return D-1-t}:a.identity,Y=F?function(t){return R-1-t}:a.identity):(X=function(t){return a.constrain(Math.round(m.c2p(z[t])-x),0,N)},Y=function(t){return a.constrain(Math.round(g.c2p(I[t])-M),0,B)});var K,J,$,Q,tt,et,rt=Y(0),nt=[rt,rt],it=O?0:1,ot=F?0:1,at=0,st=0,lt=0,ut=0;if(C){var ct=0,ht=new Uint8Array(N*B*4);if(\"best\"===C){var ft,dt,pt,vt=new Array(z.length),mt=new Array(I.length),gt=new Array(N);for(A=0;A<z.length;A++)vt[A]=Math.round(m.c2p(z[A])-x);for(A=0;A<I.length;A++)mt[A]=Math.round(g.c2p(I[A])-M);for(A=0;N>A;A++)gt[A]=n(A,vt);for(J=0;B>J;J++)for(ft=n(J,mt),dt=T[ft.bin0],pt=T[ft.bin1],A=0;N>A;A++,ct+=4)et=d(dt,pt,gt[A],ft),f(ht,ct,et)}else for(J=0;R>J;J++)for(tt=T[J],nt=Y(J),A=0;N>A;A++)et=h(tt[A],1),ct=4*(nt*N+X(A)),f(ht,ct,et);var yt=W.createImageData(N,B);yt.data.set(ht),W.putImageData(yt,0,0)}else for(J=0;R>J;J++)if(tt=T[J],nt.reverse(),nt[ot]=Y(J+1),nt[0]!==nt[1]&&void 0!==nt[0]&&void 0!==nt[1])for($=X(0),K=[$,$],A=0;D>A;A++)K.reverse(),K[it]=X(A+1),K[0]!==K[1]&&void 0!==K[0]&&void 0!==K[1]&&(Q=tt[A],et=h(Q,(K[1]-K[0])*(nt[1]-nt[0])),W.fillStyle=\"rgba(\"+et.join(\",\")+\")\",W.fillRect(K[0],nt[0],K[1]-K[0],nt[1]-nt[0]));st=Math.round(st/at),lt=Math.round(lt/at),ut=Math.round(ut/at);var bt=o(\"rgb(\"+st+\",\"+lt+\",\"+ut+\")\");t._hmpixcount=(t._hmpixcount||0)+at,t._hmlumcount=(t._hmlumcount||0)+at*bt.getLuminance();var xt=V.selectAll(\"image\").data(r);xt.enter().append(\"svg:image\").attr({xmlns:u.svg,preserveAspectRatio:\"none\"}),xt.attr({height:B,width:N,x:x,y:M,\"xlink:href\":H.toDataURL(\"image/png\")}),xt.exit().remove()}}var i=t(\"d3\"),o=t(\"tinycolor2\"),a=t(\"../../lib\"),s=t(\"../../plots/plots\"),l=t(\"../../components/colorscale/get_scale\"),u=t(\"../../constants/xmlns_namespaces\"),c=t(\"./max_row_length\");e.exports=function(t,e,r){for(var i=0;i<r.length;i++)n(t,e,r[i])}},{\"../../components/colorscale/get_scale\":495,\"../../constants/xmlns_namespaces\":556,\"../../lib\":568,\"../../plots/plots\":648,\"./max_row_length\":714,d3:119,tinycolor2:454}],716:[function(t,e,r){\"use strict\";var n=t(\"d3\");e.exports=function(t){n.select(t).selectAll(\".hm image\").style(\"opacity\",function(t){return t.trace.opacity})}},{d3:119}],717:[function(t,e,r){\"use strict\";function n(t,e){var r=e(t),n=r?e(t+\"type\",\"array\"):\"scaled\";return\"scaled\"===n&&(e(t+\"0\"),e(\"d\"+t)),r}function i(t){for(var e,r=!0,n=!1,i=!1,a=0;a<t.length;a++){if(e=t[a],!Array.isArray(e)){r=!1;break}e.length>0&&(n=!0);for(var s=0;s<e.length;s++)if(o(e[s])){i=!0;break}}return r&&n&&i}var o=t(\"fast-isnumeric\"),a=t(\"./has_columns\");e.exports=function(t,e,r){var o,s,l=r(\"z\");if(void 0===l||!l.length)return 0;if(a(t)){if(o=r(\"x\"),s=r(\"y\"),!o||!s)return 0}else{if(o=n(\"x\",r),s=n(\"y\",r),!i(l))return 0;r(\"transpose\")}return e.z.length}},{\"./has_columns\":711,\"fast-isnumeric\":123}],718:[function(t,e,r){\"use strict\";function n(t){return{start:{valType:\"number\",dflt:null},end:{valType:\"number\",dflt:null},size:{valType:\"any\",dflt:1}}}var i=t(\"../bar/attributes\");e.exports={x:{valType:\"data_array\"},y:{valType:\"data_array\"},text:i.text,orientation:i.orientation,histfunc:{valType:\"enumerated\",values:[\"count\",\"sum\",\"avg\",\"min\",\"max\"],dflt:\"count\"},histnorm:{valType:\"enumerated\",values:[\"\",\"percent\",\"probability\",\"density\",\"probability density\"],dflt:\"\"},autobinx:{valType:\"boolean\",dflt:!0},nbinsx:{valType:\"integer\",min:0,dflt:0},xbins:n(\"x\"),autobiny:{valType:\"boolean\",dflt:!0},nbinsy:{valType:\"integer\",min:0,dflt:0},ybins:n(\"y\"),marker:i.marker,_nestedModules:{error_y:\"ErrorBars\",error_x:\"ErrorBars\",\"marker.colorbar\":\"Colorbar\"},_deprecated:{bardir:i._deprecated.bardir}}},{\"../bar/attributes\":670}],719:[function(t,e,r){\"use strict\";e.exports=function(t,e){for(var r=t.length,n=0,i=0;r>i;i++)e[i]?(t[i]/=e[i],n+=t[i]):t[i]=null;return n}},{}],720:[function(t,e,r){\"use strict\";e.exports=function(t,e,r,n){return r(\"histnorm\"),n.forEach(function(t){var e=r(t+\"bins.start\"),n=r(t+\"bins.end\"),i=r(\"autobin\"+t,!(e&&n));r(i?\"nbins\"+t:t+\"bins.size\")}),e}},{}],721:[function(t,e,r){\"use strict\";var n=t(\"fast-isnumeric\");e.exports={count:function(t,e,r){return r[t]++,1},sum:function(t,e,r,i){var o=i[e];return n(o)?(o=Number(o),r[t]+=o,o):0},avg:function(t,e,r,i,o){var a=i[e];return n(a)&&(a=Number(a),r[t]+=a,o[t]++),0},min:function(t,e,r,i){var o=i[e];if(n(o)){if(o=Number(o),!n(r[t]))return r[t]=o,o;if(r[t]>o)return r[t]=o,o-r[t]}return 0},max:function(t,e,r,i){var o=i[e];if(n(o)){if(o=Number(o),!n(r[t]))return r[t]=o,o;if(r[t]<o)return r[t]=o,o-r[t]}return 0}}},{\"fast-isnumeric\":123}],722:[function(t,e,r){\"use strict\";var n=t(\"fast-isnumeric\"),i=t(\"../../lib\"),o=t(\"../../plots/cartesian/axes\"),a=t(\"./bin_functions\"),s=t(\"./norm_functions\"),l=t(\"./average\");e.exports=function(t,e){if(e.visible===!0){var r,u=[],c=[],h=o.getFromId(t,\"h\"===e.orientation?e.yaxis||\"y\":e.xaxis||\"x\"),f=\"h\"===e.orientation?\"y\":\"x\",d={x:\"y\",y:\"x\"}[f],p=h.makeCalcdata(e,f);e[\"autobin\"+f]===!1&&f+\"bins\"in e||(e[f+\"bins\"]=o.autoBin(p,h,e[\"nbins\"+f]),e._input[f+\"bins\"]=e[f+\"bins\"]);var v,m,g,y,b=e[f+\"bins\"],x=\"string\"==typeof b.size,_=x?[]:b,w=[],M=[],k=0,A=e.histnorm,T=e.histfunc,E=-1!==A.indexOf(\"density\"),S=\"max\"===T||\"min\"===T,L=S?null:0,z=a.count,I=s[A],P=!1;for(Array.isArray(e[d])&&\"count\"!==T&&(y=e[d],P=\"avg\"===T,z=a[T]),r=b.start,m=b.end+(b.start-o.tickIncrement(b.start,b.size))/1e6;m>r&&u.length<5e3;)v=o.tickIncrement(r,b.size),u.push((r+v)/2),c.push(L),x&&_.push(r),E&&w.push(1/(v-r)),P&&M.push(0),r=v;var C=c.length;for(r=0;r<p.length;r++)g=i.findBin(p[r],_),g>=0&&C>g&&(k+=z(g,r,c,y,M));P&&(k=l(c,M)),I&&I(c,k,w);var R=Math.min(u.length,c.length),D=[],O=0,F=R-1;for(r=0;R>r;r++)if(c[r]){O=r;break}for(r=R-1;r>O;r--)if(c[r]){F=r;break}for(r=O;F>=r;r++)n(u[r])&&n(c[r])&&D.push({p:u[r],s:c[r],b:0});return D}}},{\"../../lib\":568,\"../../plots/cartesian/axes\":592,\"./average\":719,\"./bin_functions\":721,\"./norm_functions\":725,\"fast-isnumeric\":123}],723:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"../../components/color\"),o=t(\"./bin_defaults\"),a=t(\"../bar/style_defaults\"),s=t(\"../../components/errorbars/defaults\"),l=t(\"./attributes\");e.exports=function(t,e,r,u){function c(r,i){return n.coerce(t,e,l,r,i)}var h=c(\"x\"),f=c(\"y\");c(\"text\");var d=c(\"orientation\",f&&!h?\"h\":\"v\"),p=e[\"v\"===d?\"x\":\"y\"];if(!p||!p.length)return void(e.visible=!1);var v=e[\"h\"===d?\"x\":\"y\"];v&&c(\"histfunc\");var m=\"h\"===d?[\"y\"]:[\"x\"];o(t,e,c,m),a(t,e,c,r,u),s(t,e,i.defaultLine,{axis:\"y\"}),s(t,e,i.defaultLine,{axis:\"x\",inherit:\"y\"})}},{\"../../components/color\":483,\"../../components/errorbars/defaults\":511,\"../../lib\":568,\"../bar/style_defaults\":680,\"./attributes\":718,\"./bin_defaults\":720}],724:[function(t,e,r){\"use strict\";var n={};n.attributes=t(\"./attributes\"),n.layoutAttributes=t(\"../bar/layout_attributes\"),n.supplyDefaults=t(\"./defaults\"),n.supplyLayoutDefaults=t(\"../bar/layout_defaults\"),n.calc=t(\"./calc\"),n.setPositions=t(\"../bar/set_positions\"),n.plot=t(\"../bar/plot\"),n.style=t(\"../bar/style\"),n.colorbar=t(\"../scatter/colorbar\"),n.hoverPoints=t(\"../bar/hover\"),n.moduleType=\"trace\",n.name=\"histogram\",n.basePlotModule=t(\"../../plots/cartesian\"),n.categories=[\"cartesian\",\"bar\",\"histogram\",\"oriented\",\"errorBarsOK\",\"showLegend\"],n.meta={},e.exports=n},{\"../../plots/cartesian\":600,\"../bar/hover\":673,\"../bar/layout_attributes\":675,\"../bar/layout_defaults\":676,\"../bar/plot\":677,\"../bar/set_positions\":678,\"../bar/style\":679,\"../scatter/colorbar\":753,\"./attributes\":718,\"./calc\":722,\"./defaults\":723}],725:[function(t,e,r){\"use strict\";e.exports={percent:function(t,e){for(var r=t.length,n=100/e,i=0;r>i;i++)t[i]*=n},probability:function(t,e){for(var r=t.length,n=0;r>n;n++)t[n]/=e},density:function(t,e,r,n){var i=t.length;n=n||1;for(var o=0;i>o;o++)t[o]*=r[o]*n},\"probability density\":function(t,e,r,n){var i=t.length;n&&(e/=n);for(var o=0;i>o;o++)t[o]*=r[o]/e}}},{}],726:[function(t,e,r){\"use strict\";var n=t(\"../histogram/attributes\"),i=t(\"../heatmap/attributes\"),o=t(\"../../components/colorscale/attributes\"),a=t(\"../../lib/extend\").extendFlat;e.exports=a({},{x:n.x,y:n.y,z:{valType:\"data_array\"},marker:{color:{valType:\"data_array\"}},histnorm:n.histnorm,histfunc:n.histfunc,autobinx:n.autobinx,nbinsx:n.nbinsx,xbins:n.xbins,autobiny:n.autobiny,nbinsy:n.nbinsy,ybins:n.ybins,zsmooth:i.zsmooth,_nestedModules:{colorbar:\"Colorbar\"}},o,{autocolorscale:a({},o.autocolorscale,{dflt:!1})})},{\"../../components/colorscale/attributes\":489,\"../../lib/extend\":563,\"../heatmap/attributes\":706,\"../histogram/attributes\":718}],727:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"../../plots/cartesian/axes\"),o=t(\"../histogram/bin_functions\"),a=t(\"../histogram/norm_functions\"),s=t(\"../histogram/average\");e.exports=function(t,e){var r,l,u,c,h,f,d=i.getFromId(t,e.xaxis||\"x\"),p=e.x?d.makeCalcdata(e,\"x\"):[],v=i.getFromId(t,e.yaxis||\"y\"),m=e.y?v.makeCalcdata(e,\"y\"):[],g=Math.min(p.length,m.length);p.length>g&&p.splice(g,p.length-g),m.length>g&&m.splice(g,m.length-g),!e.autobinx&&\"xbins\"in e||(e.xbins=i.autoBin(p,d,e.nbinsx,\"2d\"),\"histogram2dcontour\"===e.type&&(e.xbins.start-=e.xbins.size,e.xbins.end+=e.xbins.size),e._input.xbins=e.xbins),!e.autobiny&&\"ybins\"in e||(e.ybins=i.autoBin(m,v,e.nbinsy,\"2d\"),\"histogram2dcontour\"===e.type&&(e.ybins.start-=e.ybins.size,e.ybins.end+=e.ybins.size),e._input.ybins=e.ybins),h=[];var y,b,x=[],_=[],w=\"string\"==typeof e.xbins.size?[]:e.xbins,M=\"string\"==typeof e.xbins.size?[]:e.ybins,k=0,A=[],T=e.histnorm,E=e.histfunc,S=-1!==T.indexOf(\"density\"),L=\"max\"===E||\"min\"===E,z=L?null:0,I=o.count,P=a[T],C=!1,R=[],D=[],O=\"z\"in e?e.z:\"marker\"in e&&Array.isArray(e.marker.color)?e.marker.color:\"\";O&&\"count\"!==E&&(C=\"avg\"===E,I=o[E]);var F=e.xbins,j=F.end+(F.start-i.tickIncrement(F.start,F.size))/1e6;for(f=F.start;j>f;f=i.tickIncrement(f,F.size))x.push(z),Array.isArray(w)&&w.push(f),C&&_.push(0);Array.isArray(w)&&w.push(f);var N=x.length;for(r=e.xbins.start,l=(f-r)/N,r+=l/2,F=e.ybins,j=F.end+(F.start-i.tickIncrement(F.start,F.size))/1e6,f=F.start;j>f;f=i.tickIncrement(f,F.size))h.push(x.concat()),Array.isArray(M)&&M.push(f),C&&A.push(_.concat());Array.isArray(M)&&M.push(f);var B=h.length;for(u=e.ybins.start,c=(f-u)/B,u+=c/2,S&&(R=x.map(function(t,e){return Array.isArray(w)?1/(w[e+1]-w[e]):1/l}),D=h.map(function(t,e){return Array.isArray(M)?1/(M[e+1]-M[e]):1/c})),f=0;g>f;f++)y=n.findBin(p[f],w),b=n.findBin(m[f],M),y>=0&&N>y&&b>=0&&B>b&&(k+=I(y,f,h[b],O,A[b]));if(C)for(b=0;B>b;b++)k+=s(h[b],A[b]);if(P)for(b=0;B>b;b++)P(h[b],k,R,D[b]);return{x:p,x0:r,dx:l,y:m,y0:u,dy:c,z:h}}},{\"../../lib\":568,\"../../plots/cartesian/axes\":592,\"../histogram/average\":719,\"../histogram/bin_functions\":721,\"../histogram/norm_functions\":725}],728:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"./sample_defaults\"),o=t(\"../../components/colorscale/defaults\"),a=t(\"./attributes\");e.exports=function(t,e,r){function s(r,i){return n.coerce(t,e,a,r,i)}i(t,e,s),s(\"zsmooth\"),o(t,e,r,s,{prefix:\"\",cLetter:\"z\"})}},{\"../../components/colorscale/defaults\":493,\"../../lib\":568,\"./attributes\":726,\"./sample_defaults\":730}],729:[function(t,e,r){\"use strict\";var n={};n.attributes=t(\"./attributes\"),n.supplyDefaults=t(\"./defaults\"),n.calc=t(\"../heatmap/calc\"),n.plot=t(\"../heatmap/plot\"),n.colorbar=t(\"../heatmap/colorbar\"),n.style=t(\"../heatmap/style\"),n.hoverPoints=t(\"../heatmap/hover\"),n.moduleType=\"trace\",n.name=\"histogram2d\",n.basePlotModule=t(\"../../plots/cartesian\"),n.categories=[\"cartesian\",\"2dMap\",\"histogram\"],n.meta={},e.exports=n},{\"../../plots/cartesian\":600,\"../heatmap/calc\":707,\"../heatmap/colorbar\":708,\"../heatmap/hover\":712,\"../heatmap/plot\":715,\"../heatmap/style\":716,\"./attributes\":726,\"./defaults\":728}],730:[function(t,e,r){\"use strict\";var n=t(\"../histogram/bin_defaults\");e.exports=function(t,e,r){var i=r(\"x\"),o=r(\"y\");if(!(i&&i.length&&o&&o.length))return void(e.visible=!1);var a=r(\"z\")||r(\"marker.color\");a&&r(\"histfunc\");var s=[\"x\",\"y\"];n(t,e,r,s)}},{\"../histogram/bin_defaults\":720}],731:[function(t,e,r){\"use strict\";var n=t(\"../histogram2d/attributes\"),i=t(\"../contour/attributes\"),o=t(\"../../components/colorscale/attributes\"),a=t(\"../../lib/extend\").extendFlat;e.exports=a({},{x:n.x,y:n.y,z:n.z,marker:n.marker,histnorm:n.histnorm,histfunc:n.histfunc,autobinx:n.autobinx,nbinsx:n.nbinsx,xbins:n.xbins,autobiny:n.autobiny,nbinsy:n.nbinsy,ybins:n.ybins,autocontour:i.autocontour,ncontours:i.ncontours,contours:i.contours,line:i.line,_nestedModules:{colorbar:\"Colorbar\"}},o)},{\"../../components/colorscale/attributes\":489,\"../../lib/extend\":563,\"../contour/attributes\":696,\"../histogram2d/attributes\":726}],732:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"../histogram2d/sample_defaults\"),o=t(\"../contour/style_defaults\"),a=t(\"./attributes\");e.exports=function(t,e,r,s){function l(r,i){return n.coerce(t,e,a,r,i)}i(t,e,l);var u=n.coerce2(t,e,a,\"contours.start\"),c=n.coerce2(t,e,a,\"contours.end\"),h=l(\"autocontour\",!(u&&c));l(h?\"ncontours\":\"contours.size\"),o(t,e,l,s)}},{\"../../lib\":568,\"../contour/style_defaults\":705,\"../histogram2d/sample_defaults\":730,\"./attributes\":731}],733:[function(t,e,r){\"use strict\";var n={};n.attributes=t(\"./attributes\"),n.supplyDefaults=t(\"./defaults\"),n.calc=t(\"../contour/calc\"),n.plot=t(\"../contour/plot\"),n.style=t(\"../contour/style\"),n.colorbar=t(\"../contour/colorbar\"),n.hoverPoints=t(\"../contour/hover\"),n.moduleType=\"trace\",n.name=\"histogram2dcontour\",n.basePlotModule=t(\"../../plots/cartesian\"),n.categories=[\"cartesian\",\"2dMap\",\"contour\",\"histogram\"],n.meta={},e.exports=n},{\"../../plots/cartesian\":600,\"../contour/calc\":697,\"../contour/colorbar\":698,\"../contour/hover\":700,\"../contour/plot\":703,\"../contour/style\":704,\"./attributes\":731,\"./defaults\":732}],734:[function(t,e,r){\"use strict\";var n=t(\"../../components/colorscale/attributes\"),i=t(\"../surface/attributes\"),o=t(\"../../lib/extend\").extendFlat;e.exports={x:{valType:\"data_array\"},y:{valType:\"data_array\"},z:{valType:\"data_array\"},i:{valType:\"data_array\"},j:{valType:\"data_array\"},k:{valType:\"data_array\"},delaunayaxis:{valType:\"enumerated\",values:[\"x\",\"y\",\"z\"],dflt:\"z\"},alphahull:{valType:\"number\",dflt:-1},intensity:{valType:\"data_array\"},color:{valType:\"color\"},vertexcolor:{valType:\"data_array\"},facecolor:{valType:\"data_array\"},opacity:o({},i.opacity),flatshading:{valType:\"boolean\",dflt:!1},contour:{show:o({},i.contours.x.show,{}),color:o({},i.contours.x.color),width:o({},i.contours.x.width)},colorscale:n.colorscale,reversescale:n.reversescale,showscale:n.showscale,lightposition:{x:o({},i.lightposition.x,{dflt:1e5}),y:o({},i.lightposition.y,{dflt:1e5}),z:o({},i.lightposition.z,{dflt:0})},lighting:o({},{vertexnormalsepsilon:{valType:\"number\",min:0,max:1,dflt:1e-12},facenormalsepsilon:{valType:\"number\",min:0,max:1,dflt:1e-6}},i.lighting),_nestedModules:{colorbar:\"Colorbar\"}}},{\"../../components/colorscale/attributes\":489,\"../../lib/extend\":563,\"../surface/attributes\":802}],735:[function(t,e,r){\"use strict\";function n(t,e,r){this.scene=t,this.uid=r,this.mesh=e,this.name=\"\",this.color=\"#fff\",this.data=null,this.showContour=!1}function i(t){return t.map(function(t){var e=t[0],r=u(t[1]),n=r.toRgb();return{index:e,rgb:[n.r,n.g,n.b,1]}})}function o(t){return t.map(d)}function a(t,e,r){for(var n=new Array(t.length),i=0;i<t.length;++i)n[i]=[t[i],e[i],r[i]];return n}function s(t,e){var r=t.glplot.gl,i=l({gl:r}),o=new n(t,i,e.uid);return o.update(e),t.glplot.add(i),o}var l=t(\"gl-mesh3d\"),u=t(\"tinycolor2\"),c=t(\"delaunay-triangulate\"),h=t(\"alpha-shape\"),f=t(\"convex-hull\"),d=t(\"../../lib/str2rgbarray\"),p=n.prototype;p.handlePick=function(t){if(t.object===this.mesh){var e=t.data.index;return t.traceCoordinate=[this.data.x[e],this.data.y[e],this.data.z[e]],!0}},p.update=function(t){function e(t,e,r){return e.map(function(e){return t.d2l(e)*r})}var r=this.scene,n=r.fullSceneLayout;this.data=t;var s,l=a(e(n.xaxis,t.x,r.dataScale[0]),e(n.yaxis,t.y,r.dataScale[1]),e(n.zaxis,t.z,r.dataScale[2]));if(t.i&&t.j&&t.k)s=a(t.i,t.j,t.k);else if(0===t.alphahull)s=f(l);else if(t.alphahull>0)s=h(t.alphahull,l);else{var u=[\"x\",\"y\",\"z\"].indexOf(t.delaunayaxis);s=c(l.map(function(t){return[t[(u+1)%3],t[(u+2)%3]]}))}var p={positions:l,cells:s,lightPosition:[t.lightposition.x,t.lightposition.y,t.lightposition.z],ambient:t.lighting.ambient,diffuse:t.lighting.diffuse,specular:t.lighting.specular,roughness:t.lighting.roughness,fresnel:t.lighting.fresnel,vertexNormalsEpsilon:t.lighting.vertexnormalsepsilon,faceNormalsEpsilon:t.lighting.facenormalsepsilon,opacity:t.opacity,contourEnable:t.contour.show,contourColor:d(t.contour.color).slice(0,3),contourWidth:t.contour.width,useFacetNormals:t.flatshading};t.intensity?(this.color=\"#fff\",p.vertexIntensity=t.intensity,p.colormap=i(t.colorscale)):t.vertexcolor?(this.color=t.vertexcolors[0],p.vertexColors=o(t.vertexcolor)):t.facecolor?(this.color=t.facecolor[0],p.cellColors=o(t.facecolor)):(this.color=t.color,p.meshColor=d(t.color)),this.mesh.update(p)},p.dispose=function(){this.scene.glplot.remove(this.mesh),this.mesh.dispose()},e.exports=s},{\"../../lib/str2rgbarray\":580,\"alpha-shape\":41,\"convex-hull\":108,\"delaunay-triangulate\":120,\"gl-mesh3d\":156,tinycolor2:454}],736:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"../../components/colorbar/defaults\"),o=t(\"./attributes\");e.exports=function(t,e,r,a){function s(r,i){return n.coerce(t,e,o,r,i)}function l(t){var e=t.map(function(t){var e=s(t);return e&&Array.isArray(e)?e:null});return e.every(function(t){return t&&t.length===e[0].length})&&e}var u=l([\"x\",\"y\",\"z\"]),c=l([\"i\",\"j\",\"k\"]);return u?(c&&c.forEach(function(t){for(var e=0;e<t.length;++e)t[e]|=0}),[\"lighting.ambient\",\"lighting.diffuse\",\"lighting.specular\",\"lighting.roughness\",\"lighting.fresnel\",\"lighting.vertexnormalsepsilon\",\"lighting.facenormalsepsilon\",\"lightposition.x\",\"lightposition.y\",\"lightposition.z\",\"contour.show\",\"contour.color\",\"contour.width\",\"colorscale\",\"reversescale\",\"flatshading\",\"alphahull\",\"delaunayaxis\",\"opacity\"].forEach(function(t){s(t)}),\"intensity\"in t?(s(\"intensity\"),s(\"showscale\",!0)):(e.showscale=!1,\"vertexcolor\"in t?s(\"vertexcolor\"):\"facecolor\"in t?s(\"facecolor\"):s(\"color\",r)),e.reversescale&&(e.colorscale=e.colorscale.map(function(t){return[1-t[0],t[1]]}).reverse()),void(e.showscale&&i(t,e,a))):void(e.visible=!1)}},{\"../../components/colorbar/defaults\":485,\"../../lib\":568,\"./attributes\":734}],737:[function(t,e,r){\"use strict\";var n={};n.attributes=t(\"./attributes\"),n.supplyDefaults=t(\"./defaults\"),n.colorbar=t(\"../heatmap/colorbar\"),n.plot=t(\"./convert\"),n.moduleType=\"trace\",n.name=\"mesh3d\",n.basePlotModule=t(\"../../plots/gl3d\"),n.categories=[\"gl3d\"],n.meta={},e.exports=n},{\"../../plots/gl3d\":628,\"../heatmap/colorbar\":708,\"./attributes\":734,\"./convert\":735,\"./defaults\":736}],738:[function(t,e,r){\"use strict\";var n=t(\"../../components/color/attributes\"),i=t(\"../../plots/font_attributes\"),o=t(\"../../plots/attributes\"),a=t(\"../../lib/extend\").extendFlat;e.exports={labels:{valType:\"data_array\"},label0:{valType:\"number\",dflt:0},dlabel:{valType:\"number\",dflt:1},values:{valType:\"data_array\"},marker:{colors:{valType:\"data_array\"},line:{color:{valType:\"color\",dflt:n.defaultLine,arrayOk:!0},width:{valType:\"number\",min:0,dflt:0,arrayOk:!0}}},text:{valType:\"data_array\"},scalegroup:{valType:\"string\",dflt:\"\"},textinfo:{valType:\"flaglist\",flags:[\"label\",\"text\",\"value\",\"percent\"],extras:[\"none\"]},hoverinfo:a({},o.hoverinfo,{flags:[\"label\",\"text\",\"value\",\"percent\",\"name\"]}),textposition:{valType:\"enumerated\",values:[\"inside\",\"outside\",\"auto\",\"none\"],dflt:\"auto\",arrayOk:!0},textfont:a({},i,{}),insidetextfont:a({},i,{}),outsidetextfont:a({},i,{}),domain:{x:{valType:\"info_array\",items:[{valType:\"number\",min:0,max:1},{valType:\"number\",min:0,max:1}],dflt:[0,1]},y:{valType:\"info_array\",items:[{valType:\"number\",min:0,max:1},{valType:\"number\",min:0,max:1}],dflt:[0,1]}},hole:{valType:\"number\",min:0,max:1,dflt:0},sort:{valType:\"boolean\",dflt:!0},direction:{valType:\"enumerated\",values:[\"clockwise\",\"counterclockwise\"],dflt:\"counterclockwise\"},rotation:{valType:\"number\",min:-360,max:360,dflt:0},pull:{valType:\"number\",min:0,max:1,dflt:0,arrayOk:!0}}},{\"../../components/color/attributes\":482,\"../../lib/extend\":563,\"../../plots/attributes\":590,\"../../plots/font_attributes\":610}],739:[function(t,e,r){\"use strict\";function n(t,e){for(var r=[],n=0;n<t.length;n++){var i=t[n],o=i[0].trace;o._module===e&&o.visible===!0&&r.push(i)}return r}var i=t(\"../../plots/plots\");r.name=\"pie\",r.plot=function(t){var e=i.getModule(\"pie\"),r=n(t.calcdata,e);r.length&&e.plot(t,r)},r.clean=function(t,e,r,n){var i=n._has&&n._has(\"pie\"),o=e._has&&e._has(\"pie\");i&&!o&&n._pielayer.selectAll(\"g.trace\").remove()}},{\"../../plots/plots\":648}],740:[function(t,e,r){\"use strict\";function n(t){if(!l){var e=a.defaults;l=e.slice();var r;for(r=0;r<e.length;r++)l.push(o(e[r]).lighten(20).toHexString());for(r=0;r<a.defaults.length;r++)l.push(o(e[r]).darken(20).toHexString())}return l[t%l.length]}var i=t(\"fast-isnumeric\"),o=t(\"tinycolor2\"),a=t(\"../../components/color\"),s=t(\"./helpers\");e.exports=function(t,e){var r,l,u,c,h,f,d=e.values,p=e.labels,v=[],m=t._fullLayout,g=m._piecolormap,y={},b=!1,x=0,_=m.hiddenlabels||[];if(e.dlabel)for(p=new Array(d.length),r=0;r<d.length;r++)p[r]=String(e.label0+r*e.dlabel);for(r=0;r<d.length;r++)l=d[r],i(l)&&(l=+l,0>l||(u=p[r],void 0!==u&&\"\"!==u||(u=r),u=String(u),void 0===y[u]&&(y[u]=!0,c=o(e.marker.colors[r]),c.isValid()?(c=a.addOpacity(c,c.getAlpha()),g[u]||(g[u]=c)):g[u]?c=g[u]:(c=!1,b=!0),h=-1!==_.indexOf(u),h||(x+=l),v.push({v:l,label:u,color:c,i:r,hidden:h}))));if(e.sort&&v.sort(function(t,e){return e.v-t.v}),b)for(r=0;r<v.length;r++)f=v[r],f.color===!1&&(g[f.label]=f.color=n(m._piedefaultcolorcount),m._piedefaultcolorcount++);if(v[0]&&(v[0].vTotal=x),e.textinfo&&\"none\"!==e.textinfo){var w,M=-1!==e.textinfo.indexOf(\"label\"),k=-1!==e.textinfo.indexOf(\"text\"),A=-1!==e.textinfo.indexOf(\"value\"),T=-1!==e.textinfo.indexOf(\"percent\"),E=m.separators;for(r=0;r<v.length;r++)f=v[r],w=M?[f.label]:[],k&&e.text[f.i]&&w.push(e.text[f.i]),A&&w.push(s.formatPieValue(f.v,E)),T&&w.push(s.formatPiePercent(f.v/x,E)),f.text=w.join(\"<br>\")}return v};var l},{\"../../components/color\":483,\"./helpers\":742,\"fast-isnumeric\":123,tinycolor2:454}],741:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"./attributes\");e.exports=function(t,e,r,o){function a(r,o){return n.coerce(t,e,i,r,o)}var s=n.coerceFont,l=a(\"values\");if(!Array.isArray(l)||!l.length)return void(e.visible=!1);var u=a(\"labels\");Array.isArray(u)||(a(\"label0\"),a(\"dlabel\"));var c=a(\"marker.line.width\");c&&a(\"marker.line.color\");var h=a(\"marker.colors\");Array.isArray(h)||(e.marker.colors=[]),a(\"scalegroup\");var f=a(\"text\"),d=a(\"textinfo\",Array.isArray(f)?\"text+percent\":\"percent\");if(a(\"hoverinfo\",1===o._dataLength?\"label+text+value+percent\":void 0),d&&\"none\"!==d){var p=a(\"textposition\"),v=Array.isArray(p)||\"auto\"===p,m=v||\"inside\"===p,g=v||\"outside\"===p;if(m||g){var y=s(a,\"textfont\",o.font);m&&s(a,\"insidetextfont\",y),g&&s(a,\"outsidetextfont\",y)}}a(\"domain.x\"),a(\"domain.y\"),a(\"hole\"),a(\"sort\"),a(\"direction\"),a(\"rotation\"),a(\"pull\")}},{\"../../lib\":568,\"./attributes\":738}],742:[function(t,e,r){\"use strict\";var n=t(\"../../lib\");r.formatPiePercent=function(t,e){var r=(100*t).toPrecision(3);return-1!==r.lastIndexOf(\".\")&&(r=r.replace(/[.]?0+$/,\"\")),n.numSeparate(r,e)+\"%\"},r.formatPieValue=function(t,e){var r=t.toPrecision(10);return-1!==r.lastIndexOf(\".\")&&(r=r.replace(/[.]?0+$/,\"\")),n.numSeparate(r,e)}},{\"../../lib\":568}],743:[function(t,e,r){\"use strict\";var n={};n.attributes=t(\"./attributes\"),n.supplyDefaults=t(\"./defaults\"),n.supplyLayoutDefaults=t(\"./layout_defaults\"),n.layoutAttributes=t(\"./layout_attributes\"),n.calc=t(\"./calc\"),n.plot=t(\"./plot\"),n.style=t(\"./style\"),n.styleOne=t(\"./style_one\"),n.moduleType=\"trace\",n.name=\"pie\",n.basePlotModule=t(\"./base_plot\"),n.categories=[\"pie\",\"showLegend\"],n.meta={},e.exports=n},{\"./attributes\":738,\"./base_plot\":739,\"./calc\":740,\"./defaults\":741,\"./layout_attributes\":744,\"./layout_defaults\":745,\"./plot\":746,\"./style\":747,\"./style_one\":748}],744:[function(t,e,r){\"use strict\";e.exports={hiddenlabels:{valType:\"data_array\"}}},{}],745:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"./layout_attributes\");e.exports=function(t,e){function r(r,o){return n.coerce(t,e,i,r,o)}r(\"hiddenlabels\")}},{\"../../lib\":568,\"./layout_attributes\":744}],746:[function(t,e,r){\"use strict\";function n(t,e,r){var n=Math.sqrt(t.width*t.width+t.height*t.height),o=t.width/t.height,a=Math.PI*Math.min(e.v/r.vTotal,.5),s=1-r.trace.hole,l=i(e,r),u={scale:l*r.r*2/n,rCenter:1-l,rotate:0};if(u.scale>=1)return u;var c=o+1/(2*Math.tan(a)),h=r.r*Math.min(1/(Math.sqrt(c*c+.5)+c),s/(Math.sqrt(o*o+s/2)+o)),f={scale:2*h/t.height,rCenter:Math.cos(h/r.r)-h*o/r.r,rotate:(180/Math.PI*e.midangle+720)%180-90},d=1/o,p=d+1/(2*Math.tan(a)),v=r.r*Math.min(1/(Math.sqrt(p*p+.5)+p),s/(Math.sqrt(d*d+s/2)+d)),m={scale:2*v/t.width,rCenter:Math.cos(v/r.r)-v/o/r.r,rotate:(180/Math.PI*e.midangle+810)%180-90},g=m.scale>f.scale?m:f;return u.scale<1&&g.scale>u.scale?g:u}function i(t,e){if(t.v===e.vTotal&&!e.trace.hole)return 1;var r=Math.PI*Math.min(t.v/e.vTotal,.5);return Math.min(1/(1+1/Math.sin(r)),(1-e.trace.hole)/2)}function o(t,e){var r=e.pxmid[0],n=e.pxmid[1],i=t.width/2,o=t.height/2;return 0>r&&(i*=-1),0>n&&(o*=-1),{scale:1,rCenter:1,rotate:0,x:i+Math.abs(o)*(i>0?1:-1)/2,y:o/(1+r*r/(n*n)),outside:!0}}function a(t,e){function r(t,e){return t.pxmid[1]-e.pxmid[1]}function n(t,e){return e.pxmid[1]-t.pxmid[1]}function i(t,r){r||(r={});var n,i,o,s,f,d,v=r.labelExtraY+(a?r.yLabelMax:r.yLabelMin),m=a?t.yLabelMin:t.yLabelMax,g=a?t.yLabelMax:t.yLabelMin,y=t.cyFinal+u(t.px0[1],t.px1[1]),b=v-m;if(b*h>0&&(t.labelExtraY=b),Array.isArray(e.pull))for(i=0;i<p.length;i++)o=p[i],o===t||(e.pull[t.i]||0)>=e.pull[o.i]||((t.pxmid[1]-o.pxmid[1])*h>0?(s=o.cyFinal+u(o.px0[1],o.px1[1]),b=s-m-t.labelExtraY,b*h>0&&(t.labelExtraY+=b)):(g+t.labelExtraY-y)*h>0&&(n=3*c*Math.abs(i-p.indexOf(t)),f=o.cxFinal+l(o.px0[0],o.px1[0]),d=f+n-(t.cxFinal+t.pxmid[0])-t.labelExtraX,d*c>0&&(t.labelExtraX+=d)))}var o,a,s,l,u,c,h,f,d,p,v,m,g;for(a=0;2>a;a++)for(s=a?r:n,u=a?Math.max:Math.min,h=a?1:-1,o=0;2>o;o++){for(l=o?Math.max:Math.min,c=o?1:-1,f=t[a][o],f.sort(s),d=t[1-a][o],p=d.concat(f),m=[],v=0;v<f.length;v++)void 0!==f[v].yLabelMid&&m.push(f[v]);for(g=!1,v=0;a&&v<d.length;v++)if(void 0!==d[v].yLabelMid){g=d[v];break}for(v=0;v<m.length;v++){var y=v&&m[v-1];g&&!v&&(y=g),i(m[v],y)}}}function s(t,e){var r,n,i,o,a,s,l,c,h,f,d=[];for(i=0;i<t.length;i++){if(a=t[i][0],s=a.trace,r=e.w*(s.domain.x[1]-s.domain.x[0]),n=e.h*(s.domain.y[1]-s.domain.y[0]),l=s.tiltaxis*Math.PI/180,c=s.pull,Array.isArray(c))for(c=0,o=0;o<s.pull.length;o++)s.pull[o]>c&&(c=s.pull[o]);a.r=Math.min(r/u(s.tilt,Math.sin(l),s.depth),n/u(s.tilt,Math.cos(l),s.depth))/(2+2*c),a.cx=e.l+e.w*(s.domain.x[1]+s.domain.x[0])/2,a.cy=e.t+e.h*(2-s.domain.y[1]-s.domain.y[0])/2,s.scalegroup&&-1===d.indexOf(s.scalegroup)&&d.push(s.scalegroup)}for(o=0;o<d.length;o++){for(f=1/0,h=d[o],i=0;i<t.length;i++)a=t[i][0],a.trace.scalegroup===h&&(f=Math.min(f,a.r*a.r/a.vTotal));for(i=0;i<t.length;i++)a=t[i][0],a.trace.scalegroup===h&&(a.r=Math.sqrt(f*a.vTotal))}}function l(t){function e(t){var e=h.r*Math.sin(t),r=-h.r*Math.cos(t);return d?[e*(1-s*n*n)+r*a*s,e*a*s+r*(1-s*i*i),Math.sin(o)*(r*i-e*n)]:[e,r]}var r,n,i,o,a,s,l,u,c,h=t[0],f=h.trace,d=f.tilt,p=f.rotation*Math.PI/180,v=2*Math.PI/h.vTotal,m=\"px0\",g=\"px1\";if(\"counterclockwise\"===f.direction){for(l=0;l<t.length&&t[l].hidden;l++);if(l===t.length)return;p+=v*t[l].v,v*=-1,m=\"px1\",g=\"px0\"}for(d&&(o=d*Math.PI/180,r=f.tiltaxis*Math.PI/180,a=Math.sin(r)*Math.cos(r),s=1-Math.cos(o),n=Math.sin(r),i=Math.cos(r)),c=e(p),l=0;l<t.length;l++)u=t[l],u.hidden||(u[m]=c,p+=v*u.v/2,u.pxmid=e(p),u.midangle=p,p+=v*u.v/2,c=e(p),u[g]=c,u.largeArc=u.v>h.vTotal/2?1:0)}function u(t,e,r){if(!t)return 1;var n=Math.sin(t*Math.PI/180);return Math.max(.01,r*n*Math.abs(e)+2*Math.sqrt(1-n*n*e*e))}var c=t(\"d3\"),h=t(\"../../plots/cartesian/graph_interact\"),f=t(\"../../components/color\"),d=t(\"../../components/drawing\"),p=t(\"../../lib/svg_text_utils\"),v=t(\"./helpers\");e.exports=function(t,e){var r=t._fullLayout;s(e,r._size);var u=r._pielayer.selectAll(\"g.trace\").data(e);u.enter().append(\"g\").attr({\"stroke-linejoin\":\"round\",\"class\":\"trace\"}),u.exit().remove(),u.order(),u.each(function(e){var s=c.select(this),u=e[0],m=u.trace,g=0,y=(m.depth||0)*u.r*Math.sin(g)/2,b=m.tiltaxis||0,x=b*Math.PI/180,_=[y*Math.sin(x),y*Math.cos(x)],w=u.r*Math.cos(g),M=s.selectAll(\"g.part\").data(m.tilt?[\"top\",\"sides\"]:[\"top\"]);M.enter().append(\"g\").attr(\"class\",function(t){return t+\" part\"}),M.exit().remove(),M.order(),l(e),s.selectAll(\".top\").each(function(){var s=c.select(this).selectAll(\"g.slice\").data(e);s.enter().append(\"g\").classed(\"slice\",!0),s.exit().remove();var l=[[[],[]],[[],[]]],g=!1;s.each(function(a){function s(e){var n=t._fullLayout,o=t._fullData[m.index],s=o.hoverinfo;if(\"all\"===s&&(s=\"label+text+value+percent+name\"),!t._dragging&&n.hovermode!==!1&&\"none\"!==s&&s){var l=i(a,u),c=M+a.pxmid[0]*(1-l),f=k+a.pxmid[1]*(1-l),d=r.separators,p=[];-1!==s.indexOf(\"label\")&&p.push(a.label),o.text&&o.text[a.i]&&-1!==s.indexOf(\"text\")&&p.push(o.text[a.i]),-1!==s.indexOf(\"value\")&&p.push(v.formatPieValue(a.v,d)),-1!==s.indexOf(\"percent\")&&p.push(v.formatPiePercent(a.v/u.vTotal,d)),h.loneHover({x0:c-l*u.r,x1:c+l*u.r,y:f,text:p.join(\"<br>\"),name:-1!==s.indexOf(\"name\")?o.name:void 0,color:a.color,idealAlign:a.pxmid[0]<0?\"left\":\"right\"},{container:n._hoverlayer.node(),outerContainer:n._paper.node()}),h.hover(t,e,\"pie\"),E=!0}}function f(e){t.emit(\"plotly_unhover\",{points:[e]}),E&&(h.loneUnhover(r._hoverlayer.node()),E=!1)}function y(){t._hoverdata=[a],t._hoverdata.trace=e.trace,h.click(t,{target:!0})}function x(t,e,r,n){return\"a\"+n*u.r+\",\"+n*w+\" \"+b+\" \"+a.largeArc+(r?\" 1 \":\" 0 \")+n*(e[0]-t[0])+\",\"+n*(e[1]-t[1])}if(a.hidden)return void c.select(this).selectAll(\"path,g\").remove();l[a.pxmid[1]<0?0:1][a.pxmid[0]<0?0:1].push(a);var M=u.cx+_[0],k=u.cy+_[1],A=c.select(this),T=A.selectAll(\"path.surface\").data([a]),E=!1;if(T.enter().append(\"path\").classed(\"surface\",!0).style({\"pointer-events\":\"all\"}),A.select(\"path.textline\").remove(),A.on(\"mouseover\",s).on(\"mouseout\",f).on(\"click\",y),m.pull){var S=+(Array.isArray(m.pull)?m.pull[a.i]:m.pull)||0;S>0&&(M+=S*a.pxmid[0],k+=S*a.pxmid[1])}a.cxFinal=M,a.cyFinal=k;var L=m.hole;if(a.v===u.vTotal){var z=\"M\"+(M+a.px0[0])+\",\"+(k+a.px0[1])+x(a.px0,a.pxmid,!0,1)+x(a.pxmid,a.px0,!0,1)+\"Z\";L?T.attr(\"d\",\"M\"+(M+L*a.px0[0])+\",\"+(k+L*a.px0[1])+x(a.px0,a.pxmid,!1,L)+x(a.pxmid,a.px0,!1,L)+\"Z\"+z):T.attr(\"d\",z)}else{var I=x(a.px0,a.px1,!0,1);if(L){var P=1-L;T.attr(\"d\",\"M\"+(M+L*a.px1[0])+\",\"+(k+L*a.px1[1])+x(a.px1,a.px0,!1,L)+\"l\"+P*a.px0[0]+\",\"+P*a.px0[1]+I+\"Z\")}else T.attr(\"d\",\"M\"+M+\",\"+k+\"l\"+a.px0[0]+\",\"+a.px0[1]+I+\"Z\")}var C=Array.isArray(m.textposition)?m.textposition[a.i]:m.textposition,R=A.selectAll(\"g.slicetext\").data(a.text&&\"none\"!==C?[0]:[]);R.enter().append(\"g\").classed(\"slicetext\",!0),R.exit().remove(),R.each(function(){var t=c.select(this).selectAll(\"text\").data([0]);t.enter().append(\"text\").attr(\"data-notex\",1),\nt.exit().remove(),t.text(a.text).attr({\"class\":\"slicetext\",transform:\"\",\"data-bb\":\"\",\"text-anchor\":\"middle\",x:0,y:0}).call(d.font,\"outside\"===C?m.outsidetextfont:m.insidetextfont).call(p.convertToTspans),t.selectAll(\"tspan.line\").attr({x:0,y:0});var e,r=d.bBox(t.node());\"outside\"===C?e=o(r,a):(e=n(r,a,u),\"auto\"===C&&e.scale<1&&(t.call(d.font,m.outsidetextfont),m.outsidetextfont.family===m.insidetextfont.family&&m.outsidetextfont.size===m.insidetextfont.size||(t.attr({\"data-bb\":\"\"}),r=d.bBox(t.node())),e=o(r,a)));var i=M+a.pxmid[0]*e.rCenter+(e.x||0),s=k+a.pxmid[1]*e.rCenter+(e.y||0);e.outside&&(a.yLabelMin=s-r.height/2,a.yLabelMid=s,a.yLabelMax=s+r.height/2,a.labelExtraX=0,a.labelExtraY=0,g=!0),t.attr(\"transform\",\"translate(\"+i+\",\"+s+\")\"+(e.scale<1?\"scale(\"+e.scale+\")\":\"\")+(e.rotate?\"rotate(\"+e.rotate+\")\":\"\")+\"translate(\"+-(r.left+r.right)/2+\",\"+-(r.top+r.bottom)/2+\")\")})}),g&&a(l,m),s.each(function(t){if(t.labelExtraX||t.labelExtraY){var e=c.select(this),r=e.select(\"g.slicetext text\");r.attr(\"transform\",\"translate(\"+t.labelExtraX+\",\"+t.labelExtraY+\")\"+r.attr(\"transform\"));var n=t.cxFinal+t.pxmid[0],i=t.cyFinal+t.pxmid[1],o=\"M\"+n+\",\"+i,a=(t.yLabelMax-t.yLabelMin)*(t.pxmid[0]<0?-1:1)/4;if(t.labelExtraX){var s=t.labelExtraX*t.pxmid[1]/t.pxmid[0],l=t.yLabelMid+t.labelExtraY-(t.cyFinal+t.pxmid[1]);o+=Math.abs(s)>Math.abs(l)?\"l\"+l*t.pxmid[0]/t.pxmid[1]+\",\"+l+\"H\"+(n+t.labelExtraX+a):\"l\"+t.labelExtraX+\",\"+s+\"v\"+(l-s)+\"h\"+a}else o+=\"V\"+(t.yLabelMid+t.labelExtraY)+\"h\"+a;e.append(\"path\").classed(\"textline\",!0).call(f.stroke,m.outsidetextfont.color).attr({\"stroke-width\":Math.min(2,m.outsidetextfont.size/8),d:o,fill:\"none\"})}})})}),setTimeout(function(){u.selectAll(\"tspan\").each(function(){var t=c.select(this);t.attr(\"dy\")&&t.attr(\"dy\",t.attr(\"dy\"))})},0)}},{\"../../components/color\":483,\"../../components/drawing\":506,\"../../lib/svg_text_utils\":581,\"../../plots/cartesian/graph_interact\":599,\"./helpers\":742,d3:119}],747:[function(t,e,r){\"use strict\";var n=t(\"d3\"),i=t(\"./style_one\");e.exports=function(t){t._fullLayout._pielayer.selectAll(\".trace\").each(function(t){var e=t[0],r=e.trace,o=n.select(this);o.style({opacity:r.opacity}),o.selectAll(\".top path.surface\").each(function(t){n.select(this).call(i,t,r)})})}},{\"./style_one\":748,d3:119}],748:[function(t,e,r){\"use strict\";var n=t(\"../../components/color\");e.exports=function(t,e,r){var i=r.marker.line.color;Array.isArray(i)&&(i=i[e.i]||n.defaultLine);var o=r.marker.line.width||0;Array.isArray(o)&&(o=o[e.i]||0),t.style({\"stroke-width\":o,fill:e.color}).call(n.stroke,i)}},{\"../../components/color\":483}],749:[function(t,e,r){\"use strict\";var n=t(\"../../lib\");e.exports=function(t){var e=t[0].trace,r=e.marker;if(n.mergeArray(e.text,t,\"tx\"),n.mergeArray(e.textposition,t,\"tp\"),e.textfont&&(n.mergeArray(e.textfont.size,t,\"ts\"),n.mergeArray(e.textfont.color,t,\"tc\"),n.mergeArray(e.textfont.family,t,\"tf\")),r&&r.line){var i=r.line;n.mergeArray(r.opacity,t,\"mo\"),n.mergeArray(r.symbol,t,\"mx\"),n.mergeArray(r.color,t,\"mc\"),n.mergeArray(i.color,t,\"mlc\"),n.mergeArray(i.width,t,\"mlw\")}}},{\"../../lib\":568}],750:[function(t,e,r){\"use strict\";var n=t(\"../../components/colorscale/color_attributes\"),i=t(\"../../components/drawing\"),o=(t(\"./constants\"),t(\"../../lib/extend\").extendFlat);e.exports={x:{valType:\"data_array\"},x0:{valType:\"any\",dflt:0},dx:{valType:\"number\",dflt:1},y:{valType:\"data_array\"},y0:{valType:\"any\",dflt:0},dy:{valType:\"number\",dflt:1},text:{valType:\"string\",dflt:\"\",arrayOk:!0},mode:{valType:\"flaglist\",flags:[\"lines\",\"markers\",\"text\"],extras:[\"none\"]},hoveron:{valType:\"flaglist\",flags:[\"points\",\"fills\"]},line:{color:{valType:\"color\"},width:{valType:\"number\",min:0,dflt:2},shape:{valType:\"enumerated\",values:[\"linear\",\"spline\",\"hv\",\"vh\",\"hvh\",\"vhv\"],dflt:\"linear\"},smoothing:{valType:\"number\",min:0,max:1.3,dflt:1},dash:{valType:\"string\",values:[\"solid\",\"dot\",\"dash\",\"longdash\",\"dashdot\",\"longdashdot\"],dflt:\"solid\"}},connectgaps:{valType:\"boolean\",dflt:!1},fill:{valType:\"enumerated\",values:[\"none\",\"tozeroy\",\"tozerox\",\"tonexty\",\"tonextx\",\"toself\",\"tonext\"],dflt:\"none\"},fillcolor:{valType:\"color\"},marker:o({},{symbol:{valType:\"enumerated\",values:i.symbolList,dflt:\"circle\",arrayOk:!0},opacity:{valType:\"number\",min:0,max:1,arrayOk:!0},size:{valType:\"number\",min:0,dflt:6,arrayOk:!0},maxdisplayed:{valType:\"number\",min:0,dflt:0},sizeref:{valType:\"number\",dflt:1},sizemin:{valType:\"number\",min:0,dflt:0},sizemode:{valType:\"enumerated\",values:[\"diameter\",\"area\"],dflt:\"diameter\"},showscale:{valType:\"boolean\",dflt:!1},line:o({},{width:{valType:\"number\",min:0,arrayOk:!0}},n(\"marker.line\"))},n(\"marker\")),textposition:{valType:\"enumerated\",values:[\"top left\",\"top center\",\"top right\",\"middle left\",\"middle center\",\"middle right\",\"bottom left\",\"bottom center\",\"bottom right\"],dflt:\"middle center\",arrayOk:!0},textfont:{family:{valType:\"string\",noBlank:!0,strict:!0,arrayOk:!0},size:{valType:\"number\",min:1,arrayOk:!0},color:{valType:\"color\",arrayOk:!0}},r:{valType:\"data_array\"},t:{valType:\"data_array\"},_nestedModules:{error_y:\"ErrorBars\",error_x:\"ErrorBars\",\"marker.colorbar\":\"Colorbar\"}}},{\"../../components/colorscale/color_attributes\":491,\"../../components/drawing\":506,\"../../lib/extend\":563,\"./constants\":755}],751:[function(t,e,r){\"use strict\";var n=t(\"fast-isnumeric\"),i=t(\"../../plots/cartesian/axes\"),o=t(\"../../lib\"),a=t(\"./subtypes\"),s=t(\"./colorscale_calc\");e.exports=function(t,e){var r,l,u,c=i.getFromId(t,e.xaxis||\"x\"),h=i.getFromId(t,e.yaxis||\"y\"),f=c.makeCalcdata(e,\"x\"),d=h.makeCalcdata(e,\"y\"),p=Math.min(f.length,d.length);c._minDtick=0,h._minDtick=0,f.length>p&&f.splice(p,f.length-p),d.length>p&&d.splice(p,d.length-p);var v={padded:!0},m={padded:!0};if(a.hasMarkers(e)){if(r=e.marker,l=r.size,Array.isArray(l)){var g={type:\"linear\"};i.setConvert(g),l=g.makeCalcdata(e.marker,\"size\"),l.length>p&&l.splice(p,l.length-p)}var y,b=1.6*(e.marker.sizeref||1);y=\"area\"===e.marker.sizemode?function(t){return Math.max(Math.sqrt((t||0)/b),3)}:function(t){return Math.max((t||0)/b,3)},v.ppad=m.ppad=Array.isArray(l)?l.map(y):y(l)}s(e),!(\"tozerox\"===e.fill||\"tonextx\"===e.fill&&t.firstscatter)||f[0]===f[p-1]&&d[0]===d[p-1]?e.error_y.visible||-1===[\"tonexty\",\"tozeroy\"].indexOf(e.fill)&&(a.hasMarkers(e)||a.hasText(e))||(v.padded=!1,v.ppad=0):v.tozero=!0,!(\"tozeroy\"===e.fill||\"tonexty\"===e.fill&&t.firstscatter)||f[0]===f[p-1]&&d[0]===d[p-1]?-1!==[\"tonextx\",\"tozerox\"].indexOf(e.fill)&&(m.padded=!1):m.tozero=!0,i.expand(c,f,v),i.expand(h,d,m);var x=new Array(p);for(u=0;p>u;u++)x[u]=n(f[u])&&n(d[u])?{x:f[u],y:d[u]}:{x:!1,y:!1};return void 0!==typeof l&&o.mergeArray(l,x,\"ms\"),t.firstscatter=!1,x}},{\"../../lib\":568,\"../../plots/cartesian/axes\":592,\"./colorscale_calc\":754,\"./subtypes\":769,\"fast-isnumeric\":123}],752:[function(t,e,r){\"use strict\";e.exports=function(t){var e,r,n,i,o;for(e=0;e<t.length;e++)if(r=t[e],n=r.fill,\"none\"!==n&&\"scatter\"===r.type&&(r.opacity=void 0,\"tonexty\"===n||\"tonextx\"===n))for(i=e-1;i>=0;i--)if(o=t[i],\"scatter\"===o.type&&o.xaxis===r.xaxis&&o.yaxis===r.yaxis){o.opacity=void 0;break}}},{}],753:[function(t,e,r){\"use strict\";var n=t(\"d3\"),i=t(\"fast-isnumeric\"),o=t(\"../../lib\"),a=t(\"../../plots/plots\"),s=t(\"../../components/colorscale/get_scale\"),l=t(\"../../components/colorbar/draw\");e.exports=function(t,e){var r=e[0].trace,u=r.marker,c=\"cb\"+r.uid;if(t._fullLayout._infolayer.selectAll(\".\"+c).remove(),void 0===u||!u.showscale)return void a.autoMargin(t,c);var h=s(u.colorscale),f=u.color,d=u.cmin,p=u.cmax;i(d)||(d=o.aggNums(Math.min,null,f)),i(p)||(p=o.aggNums(Math.max,null,f));var v=e[0].t.cb=l(t,c);v.fillcolor(n.scale.linear().domain(h.map(function(t){return d+t[0]*(p-d)})).range(h.map(function(t){return t[1]}))).filllevels({start:d,end:p,size:(p-d)/254}).options(u.colorbar)()}},{\"../../components/colorbar/draw\":486,\"../../components/colorscale/get_scale\":495,\"../../lib\":568,\"../../plots/plots\":648,d3:119,\"fast-isnumeric\":123}],754:[function(t,e,r){\"use strict\";var n=t(\"../../components/colorscale/has_colorscale\"),i=t(\"../../components/colorscale/calc\"),o=t(\"./subtypes\");e.exports=function(t){o.hasLines(t)&&n(t,\"line\")&&i(t,t.line.color,\"line\",\"c\"),o.hasMarkers(t)&&(n(t,\"marker\")&&i(t,t.marker.color,\"marker\",\"c\"),n(t,\"marker.line\")&&i(t,t.marker.line.color,\"marker.line\",\"c\"))}},{\"../../components/colorscale/calc\":490,\"../../components/colorscale/has_colorscale\":496,\"./subtypes\":769}],755:[function(t,e,r){\"use strict\";e.exports={PTS_LINESONLY:20}},{}],756:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"./attributes\"),o=t(\"./constants\"),a=t(\"./subtypes\"),s=t(\"./xy_defaults\"),l=t(\"./marker_defaults\"),u=t(\"./line_defaults\"),c=t(\"./line_shape_defaults\"),h=t(\"./text_defaults\"),f=t(\"./fillcolor_defaults\"),d=t(\"../../components/errorbars/defaults\");e.exports=function(t,e,r,p){function v(r,o){return n.coerce(t,e,i,r,o)}var m=s(t,e,v),g=m<o.PTS_LINESONLY?\"lines+markers\":\"lines\";if(!m)return void(e.visible=!1);v(\"text\"),v(\"mode\",g),a.hasLines(e)&&(u(t,e,r,p,v),c(t,e,v),v(\"connectgaps\")),a.hasMarkers(e)&&l(t,e,r,p,v),a.hasText(e)&&h(t,e,p,v);var y=[];(a.hasMarkers(e)||a.hasText(e))&&(v(\"marker.maxdisplayed\"),y.push(\"points\")),v(\"fill\"),\"none\"!==e.fill&&(f(t,e,r,v),a.hasLines(e)||c(t,e,v)),\"tonext\"!==e.fill&&\"toself\"!==e.fill||y.push(\"fills\"),v(\"hoveron\",y.join(\"+\")||\"points\"),d(t,e,r,{axis:\"y\"}),d(t,e,r,{axis:\"x\",inherit:\"y\"})}},{\"../../components/errorbars/defaults\":511,\"../../lib\":568,\"./attributes\":750,\"./constants\":755,\"./fillcolor_defaults\":757,\"./line_defaults\":761,\"./line_shape_defaults\":763,\"./marker_defaults\":765,\"./subtypes\":769,\"./text_defaults\":770,\"./xy_defaults\":771}],757:[function(t,e,r){\"use strict\";var n=t(\"../../components/color\");e.exports=function(t,e,r,i){var o=!1;if(e.marker){var a=e.marker.color,s=(e.marker.line||{}).color;a&&!Array.isArray(a)?o=a:s&&!Array.isArray(s)&&(o=s)}i(\"fillcolor\",n.addOpacity((e.line||{}).color||o||r,.5))}},{\"../../components/color\":483}],758:[function(t,e,r){\"use strict\";var n=t(\"../../components/color\"),i=t(\"./subtypes\");e.exports=function(t,e){var r,o;if(\"lines\"===t.mode)return r=t.line.color,r&&n.opacity(r)?r:t.fillcolor;if(\"none\"===t.mode)return t.fill?t.fillcolor:\"\";var a=e.mcc||(t.marker||{}).color,s=e.mlcc||((t.marker||{}).line||{}).color;return o=a&&n.opacity(a)?a:s&&n.opacity(s)&&(e.mlw||((t.marker||{}).line||{}).width)?s:\"\",o?n.opacity(o)<.3?n.addOpacity(o,.3):o:(r=(t.line||{}).color,r&&n.opacity(r)&&i.hasLines(t)&&t.line.width?r:t.fillcolor)}},{\"../../components/color\":483,\"./subtypes\":769}],759:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"../../plots/cartesian/graph_interact\"),o=t(\"../../plots/cartesian/constants\"),a=t(\"../../components/errorbars\"),s=t(\"./get_trace_color\"),l=t(\"../../components/color\");e.exports=function(t,e,r,u){var c=t.cd,h=c[0].trace,f=t.xa,d=t.ya,p=f.c2p(e),v=d.c2p(r),m=[p,v];if(-1!==h.hoveron.indexOf(\"points\")){var g=function(t){var e=Math.max(3,t.mrc||0);return Math.max(Math.abs(f.c2p(t.x)-p)-e,1-3/e)},y=function(t){var e=Math.max(3,t.mrc||0);return Math.max(Math.abs(d.c2p(t.y)-v)-e,1-3/e)},b=function(t){var e=Math.max(3,t.mrc||0),r=f.c2p(t.x)-p,n=d.c2p(t.y)-v;return Math.max(Math.sqrt(r*r+n*n)-e,1-3/e)},x=i.getDistanceFunction(u,g,y,b);if(i.getClosest(c,x,t),t.index!==!1){var _=c[t.index],w=f.c2p(_.x,!0),M=d.c2p(_.y,!0),k=_.mrc||1;return n.extendFlat(t,{color:s(h,_),x0:w-k,x1:w+k,xLabelVal:_.x,y0:M-k,y1:M+k,yLabelVal:_.y}),_.tx?t.text=_.tx:h.text&&(t.text=h.text),a.hoverInfo(_,h,t),[t]}}if(-1!==h.hoveron.indexOf(\"fills\")&&h._polygons){var A,T,E,S,L,z,I,P,C,R=h._polygons,D=[],O=!1,F=1/0,j=-(1/0),N=1/0,B=-(1/0);for(A=0;A<R.length;A++)E=R[A],E.contains(m)&&(O=!O,D.push(E),N=Math.min(N,E.ymin),B=Math.max(B,E.ymax));if(O){N=Math.max(N,0),B=Math.min(B,d._length);var U=(N+B)/2;for(A=0;A<D.length;A++)for(S=D[A].pts,T=1;T<S.length;T++)P=S[T-1][1],C=S[T][1],P>U!=C>=U&&(z=S[T-1][0],I=S[T][0],L=z+(I-z)*(U-P)/(C-P),F=Math.min(F,L),j=Math.max(j,L));F=Math.max(F,0),j=Math.min(j,f._length);var V=l.defaultLine;return l.opacity(h.fillcolor)?V=h.fillcolor:l.opacity((h.line||{}).color)&&(V=h.line.color),n.extendFlat(t,{distance:o.MAXDIST+10,x0:F,x1:j,y0:U,y1:U,color:V}),delete t.index,h.text&&!Array.isArray(h.text)?t.text=String(h.text):t.text=h.name,[t]}}}},{\"../../components/color\":483,\"../../components/errorbars\":512,\"../../lib\":568,\"../../plots/cartesian/constants\":597,\"../../plots/cartesian/graph_interact\":599,\"./get_trace_color\":758}],760:[function(t,e,r){\"use strict\";var n={},i=t(\"./subtypes\");n.hasLines=i.hasLines,n.hasMarkers=i.hasMarkers,n.hasText=i.hasText,n.isBubble=i.isBubble,n.attributes=t(\"./attributes\"),n.supplyDefaults=t(\"./defaults\"),n.cleanData=t(\"./clean_data\"),n.calc=t(\"./calc\"),n.arraysToCalcdata=t(\"./arrays_to_calcdata\"),n.plot=t(\"./plot\"),n.colorbar=t(\"./colorbar\"),n.style=t(\"./style\"),n.hoverPoints=t(\"./hover\"),n.selectPoints=t(\"./select\"),n.moduleType=\"trace\",n.name=\"scatter\",n.basePlotModule=t(\"../../plots/cartesian\"),n.categories=[\"cartesian\",\"symbols\",\"markerColorscale\",\"errorBarsOK\",\"showLegend\"],n.meta={},e.exports=n},{\"../../plots/cartesian\":600,\"./arrays_to_calcdata\":749,\"./attributes\":750,\"./calc\":751,\"./clean_data\":752,\"./colorbar\":753,\"./defaults\":756,\"./hover\":759,\"./plot\":766,\"./select\":767,\"./style\":768,\"./subtypes\":769}],761:[function(t,e,r){\"use strict\";var n=t(\"../../components/colorscale/has_colorscale\"),i=t(\"../../components/colorscale/defaults\");e.exports=function(t,e,r,o,a){var s=(t.marker||{}).color;if(a(\"line.color\",r),n(t,\"line\"))i(t,e,o,a,{prefix:\"line.\",cLetter:\"c\"});else{var l=(Array.isArray(s)?!1:s)||r;a(\"line.color\",l)}a(\"line.width\"),a(\"line.dash\")}},{\"../../components/colorscale/defaults\":493,\"../../components/colorscale/has_colorscale\":496}],762:[function(t,e,r){\"use strict\";var n=t(\"../../plots/cartesian/axes\");e.exports=function(t,e){function r(e){var r=w.c2p(t[e].x),n=M.c2p(t[e].y);return r===S||n===S?!1:[r,n]}function i(t){var e=t[0]/w._length,r=t[1]/M._length;return(1+10*Math.max(0,-e,e-1,-r,r-1))*A}function o(t,e){var r=t[0]-e[0],n=t[1]-e[1];return Math.sqrt(r*r+n*n)}var a,s,l,u,c,h,f,d,p,v,m,g,y,b,x,_,w=e.xaxis,M=e.yaxis,k=e.connectGaps,A=e.baseTolerance,T=e.linear,E=[],S=n.BADNUM,L=.2,z=new Array(t.length),I=0;for(a=0;a<t.length;a++)if(s=r(a)){for(I=0,z[I++]=s,a++;a<t.length;a++){if(u=r(a),!u){if(k)continue;break}if(T){if(f=o(u,s),!(f<i(u)*L)){for(p=[(u[0]-s[0])/f,(u[1]-s[1])/f],c=s,m=f,g=b=x=0,d=!1,l=u,a++;a<t.length;a++){if(h=r(a),!h){if(k)continue;break}if(v=[h[0]-s[0],h[1]-s[1]],_=v[0]*p[1]-v[1]*p[0],b=Math.min(b,_),x=Math.max(x,_),x-b>i(h))break;l=h,y=v[0]*p[0]+v[1]*p[1],y>m?(m=y,u=h,d=!1):g>y&&(g=y,c=h,d=!0)}if(d?(z[I++]=u,l!==c&&(z[I++]=c)):(c!==s&&(z[I++]=c),l!==u&&(z[I++]=u)),z[I++]=l,a>=t.length||!h)break;z[I++]=h,s=h}}else z[I++]=u}E.push(z.slice(0,I))}return E}},{\"../../plots/cartesian/axes\":592}],763:[function(t,e,r){\"use strict\";e.exports=function(t,e,r){var n=r(\"line.shape\");\"spline\"===n&&r(\"line.smoothing\")}},{}],764:[function(t,e,r){\"use strict\";var n=t(\"fast-isnumeric\");e.exports=function(t){var e=t.marker,r=e.sizeref||1,i=e.sizemin||0,o=\"area\"===e.sizemode?function(t){return Math.sqrt(t/r)}:function(t){return t/r};return function(t){var e=o(t/2);return n(e)&&e>0?Math.max(e,i):0}}},{\"fast-isnumeric\":123}],765:[function(t,e,r){\"use strict\";var n=t(\"../../components/color\"),i=t(\"../../components/colorscale/has_colorscale\"),o=t(\"../../components/colorscale/defaults\"),a=t(\"./subtypes\");e.exports=function(t,e,r,s,l){var u,c=a.isBubble(t),h=(t.line||{}).color;h&&(r=h),l(\"marker.symbol\"),l(\"marker.opacity\",c?.7:1),l(\"marker.size\"),l(\"marker.color\",r),i(t,\"marker\")&&o(t,e,s,l,{prefix:\"marker.\",cLetter:\"c\"}),u=h&&!Array.isArray(h)&&e.marker.color!==h?h:c?n.background:n.defaultLine,l(\"marker.line.color\",u),i(t,\"marker.line\")&&o(t,e,s,l,{prefix:\"marker.line.\",cLetter:\"c\"}),l(\"marker.line.width\",c?1:0),c&&(l(\"marker.sizeref\"),l(\"marker.sizemin\"),l(\"marker.sizemode\"))}},{\"../../components/color\":483,\"../../components/colorscale/defaults\":493,\"../../components/colorscale/has_colorscale\":496,\"./subtypes\":769}],766:[function(t,e,r){\"use strict\";function n(t,e,r){var n=e.x(),o=e.y(),a=i.extent(n.range.map(n.l2c)),s=i.extent(o.range.map(o.l2c));r.forEach(function(t,e){var n=t[0].trace;if(u.hasMarkers(n)){var i=n.marker.maxdisplayed;if(0!==i){var o=t.filter(function(t){return t.x>=a[0]&&t.x<=a[1]&&t.y>=s[0]&&t.y<=s[1]}),l=Math.ceil(o.length/i),c=0;r.forEach(function(t,r){var n=t[0].trace;u.hasMarkers(n)&&n.marker.maxdisplayed>0&&e>r&&c++});var h=Math.round(c*l/3+Math.floor(c/3)*l/7.1);t.forEach(function(t){delete t.vis}),o.forEach(function(t,e){0===Math.round((e+h)%l)&&(t.vis=!0)})}}})}var i=t(\"d3\"),o=t(\"../../lib\"),a=t(\"../../components/drawing\"),s=t(\"../../components/errorbars\"),l=t(\"../../lib/polygon\").tester,u=t(\"./subtypes\"),c=t(\"./arrays_to_calcdata\"),h=t(\"./line_points\");e.exports=function(t,e,r){function f(t){return t.filter(function(t){return t.vis})}n(t,e,r);var d=e.x(),p=e.y(),v=e.plot.select(\".scatterlayer\").selectAll(\"g.trace.scatter\").data(r);v.enter().append(\"g\").attr(\"class\",\"trace scatter\").style(\"stroke-miterlimit\",2),v.call(s.plot,e);var m,g,y,b,x=\"\",_=[];v.each(function(t){var e=t[0].trace,r=e.line,n=i.select(this);if(e.visible===!0&&(g=e.fill.charAt(e.fill.length-1),\"x\"!==g&&\"y\"!==g&&(g=\"\"),t[0].node3=n,c(t),u.hasLines(e)||\"none\"!==e.fill)){var o,s,f,v,w,M=\"\",k=\"\";m=\"tozero\"===e.fill.substr(0,6)||\"toself\"===e.fill||\"to\"===e.fill.substr(0,2)&&!x?n.append(\"path\").classed(\"js-fill\",!0):null,b&&(y=b.datum(t)),b=n.append(\"path\").classed(\"js-fill\",!0),-1!==[\"hv\",\"vh\",\"hvh\",\"vhv\"].indexOf(r.shape)?(f=a.steps(r.shape),v=a.steps(r.shape.split(\"\").reverse().join(\"\"))):f=v=\"spline\"===r.shape?function(t){var e=t[t.length-1];return t[0][0]===e[0]&&t[0][1]===e[1]?a.smoothclosed(t.slice(1),r.smoothing):a.smoothopen(t,r.smoothing)}:function(t){return\"M\"+t.join(\"L\")},w=function(t){return v(t.reverse())};var A,T=h(t,{xaxis:d,yaxis:p,connectGaps:e.connectgaps,baseTolerance:Math.max(r.width||1,3)/4,linear:\"linear\"===r.shape}),E=e._polygons=new Array(T.length);for(A=0;A<T.length;A++)e._polygons[A]=l(T[A]);if(T.length){var S=T[0][0],L=T[T.length-1],z=L[L.length-1];for(A=0;A<T.length;A++){var I=T[A];o=f(I),s=w(I),M?g?(M+=\"L\"+o.substr(1),k=s+(\"L\"+k.substr(1))):(M+=\"Z\"+o,k=s+\"Z\"+k):(M=o,k=s),u.hasLines(e)&&I.length>1&&n.append(\"path\").classed(\"js-line\",!0).style(\"vector-effect\",\"non-scaling-stroke\").attr(\"d\",o)}m?S&&z&&(g?(\"y\"===g?S[1]=z[1]=p.c2p(0,!0):\"x\"===g&&(S[0]=z[0]=d.c2p(0,!0)),m.attr(\"d\",M+\"L\"+z+\"L\"+S+\"Z\")):m.attr(\"d\",M+\"Z\")):\"tonext\"===e.fill.substr(0,6)&&M&&x&&(\"tonext\"===e.fill?y.attr(\"d\",M+\"Z\"+x+\"Z\"):y.attr(\"d\",M+\"L\"+x.substr(1)+\"Z\"),e._polygons=e._polygons.concat(_)),x=k,_=E}}}),v.selectAll(\"path:not([d])\").remove(),v.append(\"g\").attr(\"class\",\"points\").each(function(t){var e=t[0].trace,r=i.select(this),n=u.hasMarkers(e),s=u.hasText(e);!n&&!s||e.visible!==!0?r.remove():(n&&r.selectAll(\"path.point\").data(e.marker.maxdisplayed?f:o.identity).enter().append(\"path\").classed(\"point\",!0).call(a.translatePoints,d,p),s&&r.selectAll(\"g\").data(e.marker.maxdisplayed?f:o.identity).enter().append(\"g\").append(\"text\").call(a.translatePoints,d,p))})}},{\"../../components/drawing\":506,\"../../components/errorbars\":512,\"../../lib\":568,\"../../lib/polygon\":574,\"./arrays_to_calcdata\":749,\"./line_points\":762,\"./subtypes\":769,d3:119}],767:[function(t,e,r){\"use strict\";var n=t(\"./subtypes\"),i=.2;e.exports=function(t,e){var r,o,a,s,l=t.cd,u=t.xaxis,c=t.yaxis,h=[],f=l[0].trace,d=f.index,p=f.marker,v=!n.hasMarkers(f)&&!n.hasText(f);if(f.visible===!0&&!v){var m=Array.isArray(p.opacity)?1:p.opacity;if(e===!1)for(r=0;r<l.length;r++)l[r].dim=0;else for(r=0;r<l.length;r++)o=l[r],a=u.c2p(o.x),s=c.c2p(o.y),e.contains([a,s])?(h.push({curveNumber:d,pointNumber:r,x:o.x,y:o.y}),o.dim=0):o.dim=1;return l[0].node3.selectAll(\"path.point\").style(\"opacity\",function(t){return((t.mo+1||m+1)-1)*(t.dim?i:1)}),l[0].node3.selectAll(\"text\").style(\"opacity\",function(t){return t.dim?i:1}),h}}},{\"./subtypes\":769}],768:[function(t,e,r){\"use strict\";var n=t(\"d3\"),i=t(\"../../components/drawing\"),o=t(\"../../components/errorbars\");e.exports=function(t){var e=n.select(t).selectAll(\"g.trace.scatter\");e.style(\"opacity\",function(t){return t[0].trace.opacity}),e.selectAll(\"g.points\").each(function(t){n.select(this).selectAll(\"path.point\").call(i.pointStyle,t.trace||t[0].trace),n.select(this).selectAll(\"text\").call(i.textPointStyle,t.trace||t[0].trace)}),e.selectAll(\"g.trace path.js-line\").call(i.lineGroupStyle),e.selectAll(\"g.trace path.js-fill\").call(i.fillGroupStyle),e.call(o.style)}},{\"../../components/drawing\":506,\"../../components/errorbars\":512,d3:119}],769:[function(t,e,r){\"use strict\";var n=t(\"../../lib\");e.exports={hasLines:function(t){return t.visible&&t.mode&&-1!==t.mode.indexOf(\"lines\")},hasMarkers:function(t){return t.visible&&t.mode&&-1!==t.mode.indexOf(\"markers\")},hasText:function(t){return t.visible&&t.mode&&-1!==t.mode.indexOf(\"text\")},isBubble:function(t){return n.isPlainObject(t.marker)&&Array.isArray(t.marker.size)}}},{\"../../lib\":568}],770:[function(t,e,r){\"use strict\";var n=t(\"../../lib\");e.exports=function(t,e,r,i){i(\"textposition\"),n.coerceFont(i,\"textfont\",r.font)}},{\"../../lib\":568}],771:[function(t,e,r){\"use strict\";e.exports=function(t,e,r){var n,i=r(\"x\"),o=r(\"y\");if(i)o?(n=Math.min(i.length,o.length),n<i.length&&(e.x=i.slice(0,n)),n<o.length&&(e.y=o.slice(0,n))):(n=i.length,r(\"y0\"),r(\"dy\"));else{if(!o)return 0;n=e.y.length,r(\"x0\"),r(\"dx\")}return n}},{}],772:[function(t,e,r){\"use strict\";function n(t){return{show:{valType:\"boolean\",dflt:!1},opacity:{valType:\"number\",min:0,max:1,dflt:1},scale:{valType:\"number\",min:0,max:10,dflt:2/3}}}var i=t(\"../scatter/attributes\"),o=t(\"../../components/colorscale/color_attributes\"),a=t(\"../../constants/gl_markers\"),s=t(\"../../lib/extend\").extendFlat,l=i.line,u=i.marker,c=u.line;e.exports={x:{valType:\"data_array\"},y:{valType:\"data_array\"},z:{valType:\"data_array\"},text:s({},i.text,{}),mode:s({},i.mode,{dflt:\"lines+markers\"}),surfaceaxis:{valType:\"enumerated\",values:[-1,0,1,2],dflt:-1},surfacecolor:{valType:\"color\"},projection:{x:n(\"x\"),y:n(\"y\"),z:n(\"z\")},connectgaps:i.connectgaps,line:s({},{width:l.width,dash:l.dash,showscale:{valType:\"boolean\",dflt:!1}},o(\"line\")),marker:s({},{symbol:{valType:\"enumerated\",values:Object.keys(a),dflt:\"circle\",arrayOk:!0},size:s({},u.size,{dflt:8}),sizeref:u.sizeref,sizemin:u.sizemin,sizemode:u.sizemode,opacity:s({},u.opacity,{arrayOk:!1}),showscale:u.showscale,line:s({},{width:s({},c.width,{arrayOk:!1})},o(\"marker.line\"))},o(\"marker\")),textposition:s({},i.textposition,{dflt:\"top center\"}),textfont:i.textfont,_nestedModules:{error_x:\"ErrorBars\",error_y:\"ErrorBars\",error_z:\"ErrorBars\",\"marker.colorbar\":\"Colorbar\"}}},{\"../../components/colorscale/color_attributes\":491,\"../../constants/gl_markers\":554,\"../../lib/extend\":563,\"../scatter/attributes\":750}],773:[function(t,e,r){\"use strict\";var n=t(\"../scatter/arrays_to_calcdata\"),i=t(\"../scatter/colorscale_calc\");e.exports=function(t,e){var r=[{x:!1,y:!1,trace:e,t:{}}];return n(r),i(e),r}},{\"../scatter/arrays_to_calcdata\":749,\"../scatter/colorscale_calc\":754}],774:[function(t,e,r){\"use strict\";function n(t,e,r){if(!e||!e.visible)return null;for(var n=a(e),i=new Array(t.length),o=0;o<t.length;o++){var s=n(+t[o],o);i[o]=[-s[0]*r,s[1]*r]}return i}function i(t){for(var e=0;e<t.length;e++)if(t[e])return t[e].length;return 0}function o(t,e){var r=[n(t.x,t.error_x,e[0]),n(t.y,t.error_y,e[1]),n(t.z,t.error_z,e[2])],o=i(r);if(0===o)return null;for(var a=new Array(o),s=0;o>s;s++){for(var l=[[0,0,0],[0,0,0]],u=0;3>u;u++)if(r[u])for(var c=0;2>c;c++)l[c][u]=r[u][s][c];a[s]=l}return a}var a=t(\"../../components/errorbars/compute_error\");e.exports=o},{\"../../components/errorbars/compute_error\":510}],775:[function(t,e,r){\"use strict\";function n(t,e){this.scene=t,this.uid=e,this.linePlot=null,this.scatterPlot=null,this.errorBars=null,this.textMarkers=null,this.delaunayMesh=null,this.color=null,this.mode=\"\",this.dataPoints=[],this.axesBounds=[[-(1/0),-(1/0),-(1/0)],[1/0,1/0,1/0]],this.textLabels=null,this.data=null}function i(t,e,r){var n,i=(r+1)%3,o=(r+2)%3,a=[],s=[];for(n=0;n<t.length;++n){var l=t[n];!isNaN(l[i])&&isFinite(l[i])&&!isNaN(l[o])&&isFinite(l[o])&&(a.push([l[i],l[o]]),s.push(n))}var u=g(a);for(n=0;n<u.length;++n)for(var c=u[n],h=0;h<c.length;++h)c[h]=s[c[h]];return{positions:t,cells:u,meshColor:e}}function o(t){for(var e=[0,0,0],r=[[0,0,0],[0,0,0],[0,0,0]],n=[0,0,0],i=0;3>i;i++){var o=t[i];o&&o.copy_zstyle!==!1&&(o=t[2]),o&&(e[i]=o.width/2,r[i]=b(o.color),n=o.thickness)}return{capSize:e,color:r,lineWidth:n}}function a(t){var e=[0,0];return Array.isArray(t)?[0,-1]:(t.indexOf(\"bottom\")>=0&&(e[1]+=1),t.indexOf(\"top\")>=0&&(e[1]-=1),t.indexOf(\"left\")>=0&&(e[0]-=1),t.indexOf(\"right\")>=0&&(e[0]+=1),e)}function s(t,e){return e(4*t)}function l(t){return M[t]}function u(t,e,r,n,i){var o=null;if(Array.isArray(t)){o=[];for(var a=0;e>a;a++)void 0===t[a]?o[a]=n:o[a]=r(t[a],i)}else o=r(t,y.identity);return o}function c(t,e){var r,n,i,c,h,f,d=[],p=t.fullSceneLayout,v=t.dataScale,m=p.xaxis,g=p.yaxis,w=p.zaxis,M=e.marker,A=e.line,T=e.x||[],E=e.y||[],S=e.z||[],L=T.length;for(n=0;L>n;n++)i=m.d2l(T[n])*v[0],c=g.d2l(E[n])*v[1],h=w.d2l(S[n])*v[2],d[n]=[i,c,h];if(Array.isArray(e.text))f=e.text;else if(void 0!==e.text)for(f=new Array(L),n=0;L>n;n++)f[n]=e.text;if(r={position:d,mode:e.mode,text:f},\"line\"in e&&(r.lineColor=x(A,1,L),r.lineWidth=A.width,r.lineDashes=A.dash),\"marker\"in e){var z=_(e);r.scatterColor=x(M,1,L),r.scatterSize=u(M.size,L,s,20,z),r.scatterMarker=u(M.symbol,L,l,\"\\u25cf\"),r.scatterLineWidth=M.line.width,r.scatterLineColor=x(M.line,1,L),r.scatterAngle=0}\"textposition\"in e&&(r.textOffset=a(e.textposition),r.textColor=x(e.textfont,1,L),r.textSize=u(e.textfont.size,L,y.identity,12),r.textFont=e.textfont.family,r.textAngle=0);var I=[\"x\",\"y\",\"z\"];for(r.project=[!1,!1,!1],r.projectScale=[1,1,1],r.projectOpacity=[1,1,1],n=0;3>n;++n){var P=e.projection[I[n]];(r.project[n]=P.show)&&(r.projectOpacity[n]=P.opacity,r.projectScale[n]=P.scale)}r.errorBounds=k(e,v);var C=o([e.error_x,e.error_y,e.error_z]);return r.errorColor=C.color,r.errorLineWidth=C.lineWidth,r.errorCapSize=C.capSize,r.delaunayAxis=e.surfaceaxis,r.delaunayColor=b(e.surfacecolor),r}function h(t){if(Array.isArray(t)){var e=t[0];return Array.isArray(e)&&(t=e),\"rgb(\"+t.slice(0,3).map(function(t){return Math.round(255*t)})+\")\"}return null}function f(t,e){var r=new n(t,e.uid);return r.update(e),r}var d=t(\"gl-line3d\"),p=t(\"gl-scatter3d\"),v=t(\"gl-error3d\"),m=t(\"gl-mesh3d\"),g=t(\"delaunay-triangulate\"),y=t(\"../../lib\"),b=t(\"../../lib/str2rgbarray\"),x=t(\"../../lib/gl_format_color\"),_=t(\"../scatter/make_bubble_size_func\"),w=t(\"../../constants/gl3d_dashes\"),M=t(\"../../constants/gl_markers\"),k=t(\"./calc_errors\"),A=n.prototype;A.handlePick=function(t){if(t.object&&(t.object===this.linePlot||t.object===this.delaunayMesh||t.object===this.textMarkers||t.object===this.scatterPlot)){t.object.highlight&&t.object.highlight(null),this.scatterPlot&&(t.object=this.scatterPlot,this.scatterPlot.highlight(t.data)),this.textLabels&&void 0!==this.textLabels[t.data.index]?t.textLabel=this.textLabels[t.data.index]:t.textLabel=\"\";var e=t.data.index;return t.traceCoordinate=[this.data.x[e],this.data.y[e],this.data.z[e]],!0}},A.update=function(t){var e,r,n,o,a=this.scene.glplot.gl,s=w.solid;this.data=t;var l=c(this.scene,t);\"mode\"in l&&(this.mode=l.mode),\"lineDashes\"in l&&l.lineDashes in w&&(s=w[l.lineDashes]),this.color=h(l.scatterColor)||h(l.lineColor),this.dataPoints=l.position,e={gl:a,position:l.position,color:l.lineColor,lineWidth:l.lineWidth||1,dashes:s[0],dashScale:s[1],opacity:t.opacity,connectGaps:t.connectgaps},-1!==this.mode.indexOf(\"lines\")?this.linePlot?this.linePlot.update(e):(this.linePlot=d(e),this.scene.glplot.add(this.linePlot)):this.linePlot&&(this.scene.glplot.remove(this.linePlot),this.linePlot.dispose(),this.linePlot=null);var u=t.opacity;if(t.marker&&t.marker.opacity&&(u*=t.marker.opacity),r={gl:a,position:l.position,color:l.scatterColor,size:l.scatterSize,glyph:l.scatterMarker,opacity:u,orthographic:!0,lineWidth:l.scatterLineWidth,lineColor:l.scatterLineColor,project:l.project,projectScale:l.projectScale,projectOpacity:l.projectOpacity},-1!==this.mode.indexOf(\"markers\")?this.scatterPlot?this.scatterPlot.update(r):(this.scatterPlot=p(r),this.scatterPlot.highlightScale=1,this.scene.glplot.add(this.scatterPlot)):this.scatterPlot&&(this.scene.glplot.remove(this.scatterPlot),this.scatterPlot.dispose(),this.scatterPlot=null),o={gl:a,position:l.position,glyph:l.text,color:l.textColor,size:l.textSize,angle:l.textAngle,alignment:l.textOffset,font:l.textFont,orthographic:!0,lineWidth:0,project:!1,opacity:t.opacity},this.textLabels=l.text,-1!==this.mode.indexOf(\"text\")?this.textMarkers?this.textMarkers.update(o):(this.textMarkers=p(o),this.textMarkers.highlightScale=1,this.scene.glplot.add(this.textMarkers)):this.textMarkers&&(this.scene.glplot.remove(this.textMarkers),this.textMarkers.dispose(),this.textMarkers=null),n={gl:a,position:l.position,color:l.errorColor,error:l.errorBounds,lineWidth:l.errorLineWidth,capSize:l.errorCapSize,opacity:t.opacity},this.errorBars?l.errorBounds?this.errorBars.update(n):(this.scene.glplot.remove(this.errorBars),this.errorBars.dispose(),this.errorBars=null):l.errorBounds&&(this.errorBars=v(n),this.scene.glplot.add(this.errorBars)),l.delaunayAxis>=0){var f=i(l.position,l.delaunayColor,l.delaunayAxis);f.opacity=t.opacity,this.delaunayMesh?this.delaunayMesh.update(f):(f.gl=a,this.delaunayMesh=m(f),this.scene.glplot.add(this.delaunayMesh))}else this.delaunayMesh&&(this.scene.glplot.remove(this.delaunayMesh),this.delaunayMesh.dispose(),this.delaunayMesh=null)},A.dispose=function(){this.linePlot&&(this.scene.glplot.remove(this.linePlot),this.linePlot.dispose()),this.scatterPlot&&(this.scene.glplot.remove(this.scatterPlot),this.scatterPlot.dispose()),this.errorBars&&(this.scene.glplot.remove(this.errorBars),this.errorBars.dispose()),this.textMarkers&&(this.scene.glplot.remove(this.textMarkers),this.textMarkers.dispose()),this.delaunayMesh&&(this.scene.glplot.remove(this.delaunayMesh),this.delaunayMesh.dispose())},e.exports=f},{\"../../constants/gl3d_dashes\":553,\"../../constants/gl_markers\":554,\"../../lib\":568,\"../../lib/gl_format_color\":566,\"../../lib/str2rgbarray\":580,\"../scatter/make_bubble_size_func\":764,\"./calc_errors\":774,\"delaunay-triangulate\":120,\"gl-error3d\":127,\"gl-line3d\":133,\"gl-mesh3d\":156,\"gl-scatter3d\":199}],776:[function(t,e,r){\"use strict\";function n(t,e,r){var n=0,i=r(\"x\"),o=r(\"y\"),a=r(\"z\");return i&&o&&a&&(n=Math.min(i.length,o.length,a.length),n<i.length&&(e.x=i.slice(0,n)),n<o.length&&(e.y=o.slice(0,n)),n<a.length&&(e.z=a.slice(0,n))),n}var i=t(\"../../lib\"),o=t(\"../scatter/subtypes\"),a=t(\"../scatter/marker_defaults\"),s=t(\"../scatter/line_defaults\"),l=t(\"../scatter/text_defaults\"),u=t(\"../../components/errorbars/defaults\"),c=t(\"./attributes\");e.exports=function(t,e,r,h){function f(r,n){return i.coerce(t,e,c,r,n)}var d=n(t,e,f);if(!d)return void(e.visible=!1);f(\"text\"),f(\"mode\"),o.hasLines(e)&&(f(\"connectgaps\"),s(t,e,r,h,f)),o.hasMarkers(e)&&a(t,e,r,h,f),o.hasText(e)&&l(t,e,h,f);var p=(e.line||{}).color,v=(e.marker||{}).color;f(\"surfaceaxis\")>=0&&f(\"surfacecolor\",p||v);for(var m=[\"x\",\"y\",\"z\"],g=0;3>g;++g){var y=\"projection.\"+m[g];f(y+\".show\")&&(f(y+\".opacity\"),f(y+\".scale\"))}u(t,e,r,{axis:\"z\"}),u(t,e,r,{axis:\"y\",inherit:\"z\"}),u(t,e,r,{axis:\"x\",inherit:\"z\"})}},{\"../../components/errorbars/defaults\":511,\"../../lib\":568,\"../scatter/line_defaults\":761,\"../scatter/marker_defaults\":765,\"../scatter/subtypes\":769,\"../scatter/text_defaults\":770,\"./attributes\":772}],777:[function(t,e,r){\"use strict\";var n={};n.plot=t(\"./convert\"),n.attributes=t(\"./attributes\"),n.markerSymbols=t(\"../../constants/gl_markers\"),n.supplyDefaults=t(\"./defaults\"),n.colorbar=t(\"../scatter/colorbar\"),n.calc=t(\"./calc\"),n.moduleType=\"trace\",n.name=\"scatter3d\",n.basePlotModule=t(\"../../plots/gl3d\"),n.categories=[\"gl3d\",\"symbols\",\"markerColorscale\",\"showLegend\"],n.meta={},e.exports=n},{\"../../constants/gl_markers\":554,\"../../plots/gl3d\":628,\n\"../scatter/colorbar\":753,\"./attributes\":772,\"./calc\":773,\"./convert\":775,\"./defaults\":776}],778:[function(t,e,r){\"use strict\";var n=t(\"../scatter/attributes\"),i=t(\"../../plots/attributes\"),o=t(\"../../components/colorscale/color_attributes\"),a=t(\"../../lib/extend\").extendFlat,s=n.marker,l=n.line,u=s.line;e.exports={lon:{valType:\"data_array\"},lat:{valType:\"data_array\"},locations:{valType:\"data_array\"},locationmode:{valType:\"enumerated\",values:[\"ISO-3\",\"USA-states\",\"country names\"],dflt:\"ISO-3\"},mode:a({},n.mode,{dflt:\"markers\"}),text:a({},n.text,{}),line:{color:l.color,width:l.width,dash:l.dash},marker:a({},{symbol:s.symbol,opacity:s.opacity,size:s.size,sizeref:s.sizeref,sizemin:s.sizemin,sizemode:s.sizemode,showscale:s.showscale,line:a({},{width:u.width},o(\"marker.line\"))},o(\"marker\")),textfont:n.textfont,textposition:n.textposition,hoverinfo:a({},i.hoverinfo,{flags:[\"lon\",\"lat\",\"location\",\"text\",\"name\"]}),_nestedModules:{\"marker.colorbar\":\"Colorbar\"}}},{\"../../components/colorscale/color_attributes\":491,\"../../lib/extend\":563,\"../../plots/attributes\":590,\"../scatter/attributes\":750}],779:[function(t,e,r){\"use strict\";var n=t(\"../scatter/colorscale_calc\");e.exports=function(t,e){var r=[{x:!1,y:!1,trace:e,t:{}}];return n(e),r}},{\"../scatter/colorscale_calc\":754}],780:[function(t,e,r){\"use strict\";function n(t,e,r){var n,i,o=0,a=r(\"locations\");return a?(r(\"locationmode\"),o=a.length):(n=r(\"lon\")||[],i=r(\"lat\")||[],o=Math.min(n.length,i.length),o<n.length&&(e.lon=n.slice(0,o)),o<i.length&&(e.lat=i.slice(0,o)),o)}var i=t(\"../../lib\"),o=t(\"../scatter/subtypes\"),a=t(\"../scatter/marker_defaults\"),s=t(\"../scatter/line_defaults\"),l=t(\"../scatter/text_defaults\"),u=t(\"./attributes\");e.exports=function(t,e,r,c){function h(r,n){return i.coerce(t,e,u,r,n)}var f=n(t,e,h);return f?(h(\"text\"),h(\"mode\"),o.hasLines(e)&&s(t,e,r,c,h),o.hasMarkers(e)&&a(t,e,r,c,h),o.hasText(e)&&l(t,e,c,h),void h(\"hoverinfo\",1===c._dataLength?\"lon+lat+location+text\":void 0)):void(e.visible=!1)}},{\"../../lib\":568,\"../scatter/line_defaults\":761,\"../scatter/marker_defaults\":765,\"../scatter/subtypes\":769,\"../scatter/text_defaults\":770,\"./attributes\":778}],781:[function(t,e,r){\"use strict\";var n={};n.attributes=t(\"./attributes\"),n.supplyDefaults=t(\"./defaults\"),n.colorbar=t(\"../scatter/colorbar\"),n.calc=t(\"./calc\"),n.plot=t(\"./plot\").plot,n.moduleType=\"trace\",n.name=\"scattergeo\",n.basePlotModule=t(\"../../plots/geo\"),n.categories=[\"geo\",\"symbols\",\"markerColorscale\",\"showLegend\"],n.meta={},e.exports=n},{\"../../plots/geo\":613,\"../scatter/colorbar\":753,\"./attributes\":778,\"./calc\":779,\"./defaults\":780,\"./plot\":782}],782:[function(t,e,r){\"use strict\";function n(t,e,r){function n(t,n){f(t,e,n,r)}var i=t.marker;if(n(t.text,\"tx\"),n(t.textposition,\"tp\"),t.textfont&&(n(t.textfont.size,\"ts\"),n(t.textfont.color,\"tc\"),n(t.textfont.family,\"tf\")),i&&i.line){var o=i.line;n(i.opacity,\"mo\"),n(i.symbol,\"mx\"),n(i.color,\"mc\"),n(i.size,\"ms\"),n(o.color,\"mlc\"),n(o.width,\"mlw\")}}function i(t){for(var e=t.lon.length,r=new Array(e),n=0;e>n;n++)r[n]=[t.lon[n],t.lat[n]];return{type:\"LineString\",coordinates:r,trace:t}}function o(t,e){function r(e){var r=t.mockAxis;return u.tickText(r,r.c2l(e),\"hover\").text+\"\\xb0\"}var n=e.hoverinfo;if(\"none\"===n)return function(t){delete t.textLabel};var i=\"all\"===n?m.hoverinfo.flags:n.split(\"+\"),o=-1!==i.indexOf(\"location\")&&Array.isArray(e.locations),a=-1!==i.indexOf(\"lon\"),s=-1!==i.indexOf(\"lat\"),l=-1!==i.indexOf(\"text\");return function(t){var n=[];o?n.push(t.location):a&&s?n.push(\"(\"+r(t.lon)+\", \"+r(t.lat)+\")\"):a?n.push(\"lon: \"+r(t.lon)):s&&n.push(\"lat: \"+r(t.lat)),l&&n.push(t.tx||e.text),t.textLabel=n.join(\"<br>\")}}function a(t){var e=Array.isArray(t.locations);return function(r,n){return{points:[{data:t._input,fullData:t,curveNumber:t.index,pointNumber:n,lon:r.lon,lat:r.lat,location:e?r.location:null}]}}}var s=t(\"d3\"),l=t(\"../../plots/cartesian/graph_interact\"),u=t(\"../../plots/cartesian/axes\"),c=t(\"../../lib/topojson_utils\").getTopojsonFeatures,h=t(\"../../lib/geo_location_utils\").locationToFeature,f=t(\"../../lib/array_to_calc_item\"),d=t(\"../../components/color\"),p=t(\"../../components/drawing\"),v=t(\"../scatter/subtypes\"),m=t(\"./attributes\"),g=e.exports={};g.calcGeoJSON=function(t,e){var r,i,o,a,s=[],l=Array.isArray(t.locations);l?(a=t.locations,r=a.length,i=c(t,e),o=function(t,e){var r=h(t.locationmode,a[e],i);return void 0!==r?r.properties.ct:void 0}):(r=t.lon.length,o=function(t,e){return[t.lon[e],t.lat[e]]});for(var u=0;r>u;u++){var f=o(t,u);if(f){var d={lon:f[0],lat:f[1],location:l?t.locations[u]:null};n(t,d,u),s.push(d)}}return s.length>0&&(s[0].trace=t),s},g.plot=function(t,e){var r=t.framework.select(\".scattergeolayer\").selectAll(\"g.trace.scattergeo\").data(e,function(t){return t.uid});r.enter().append(\"g\").attr(\"class\",\"trace scattergeo\"),r.exit().remove(),r.selectAll(\"*\").remove(),r.each(function(t){var e=s.select(this);v.hasLines(t)&&e.selectAll(\"path.js-line\").data([i(t)]).enter().append(\"path\").classed(\"js-line\",!0)}),r.each(function(e){function r(r,n){if(t.showHover){var i=t.projection([r.lon,r.lat]);f(r),l.loneHover({x:i[0],y:i[1],name:m?e.name:void 0,text:r.textLabel,color:r.mc||(e.marker||{}).color},{container:t.hoverContainer.node()}),y=d(r,n),t.graphDiv.emit(\"plotly_hover\",y)}}function n(e,r){t.graphDiv.emit(\"plotly_click\",d(e,r))}var i=s.select(this),u=v.hasMarkers(e),c=v.hasText(e);if(u||c){var h=g.calcGeoJSON(e,t.topojson),f=o(t,e),d=a(e),p=e.hoverinfo,m=\"all\"===p||-1!==p.indexOf(\"name\"),y=null;u&&i.selectAll(\"path.point\").data(h).enter().append(\"path\").classed(\"point\",!0).on(\"mouseover\",r).on(\"click\",n).on(\"mouseout\",function(){l.loneUnhover(t.hoverContainer),t.graphDiv.emit(\"plotly_unhover\",y)}).on(\"mousedown\",function(){l.loneUnhover(t.hoverContainer)}).on(\"mouseup\",r),c&&i.selectAll(\"g\").data(h).enter().append(\"g\").append(\"text\")}}),g.style(t)},g.style=function(t){var e=t.framework.selectAll(\"g.trace.scattergeo\");e.style(\"opacity\",function(t){return t.opacity}),e.each(function(t){s.select(this).selectAll(\"path.point\").call(p.pointStyle,t),s.select(this).selectAll(\"text\").call(p.textPointStyle,t)}),e.selectAll(\"path.js-line\").style(\"fill\",\"none\").each(function(t){var e=t.trace,r=e.line||{};s.select(this).call(d.stroke,r.color).call(p.dashLine,r.dash||\"\",r.width||0)})}},{\"../../components/color\":483,\"../../components/drawing\":506,\"../../lib/array_to_calc_item\":559,\"../../lib/geo_location_utils\":565,\"../../lib/topojson_utils\":582,\"../../plots/cartesian/axes\":592,\"../../plots/cartesian/graph_interact\":599,\"../scatter/subtypes\":769,\"./attributes\":778,d3:119}],783:[function(t,e,r){\"use strict\";var n=t(\"../scatter/attributes\"),i=t(\"../../components/colorscale/color_attributes\"),o=t(\"../../constants/gl2d_dashes\"),a=t(\"../../constants/gl_markers\"),s=t(\"../../lib/extend\").extendFlat,l=t(\"../../lib/extend\").extendDeep,u=n.line,c=n.marker,h=c.line;e.exports={x:n.x,x0:n.x0,dx:n.dx,y:n.y,y0:n.y0,dy:n.dy,text:s({},n.text,{}),mode:{valType:\"flaglist\",flags:[\"lines\",\"markers\"],extras:[\"none\"]},line:{color:u.color,width:u.width,dash:{valType:\"enumerated\",values:Object.keys(o),dflt:\"solid\"}},marker:l({},i(\"marker\"),{symbol:{valType:\"enumerated\",values:Object.keys(a),dflt:\"circle\",arrayOk:!0},size:c.size,sizeref:c.sizeref,sizemin:c.sizemin,sizemode:c.sizemode,opacity:c.opacity,showscale:c.showscale,line:l({},i(\"marker.line\"),{width:h.width})}),connectgaps:n.connectgaps,fill:s({},n.fill,{values:[\"none\",\"tozeroy\",\"tozerox\"]}),fillcolor:n.fillcolor,_nestedModules:{error_x:\"ErrorBars\",error_y:\"ErrorBars\",\"marker.colorbar\":\"Colorbar\"}}},{\"../../components/colorscale/color_attributes\":491,\"../../constants/gl2d_dashes\":552,\"../../constants/gl_markers\":554,\"../../lib/extend\":563,\"../scatter/attributes\":750}],784:[function(t,e,r){\"use strict\";function n(t,e){this.scene=t,this.uid=e,this.pickXData=[],this.pickYData=[],this.xData=[],this.yData=[],this.textLabels=[],this.color=\"rgb(0, 0, 0)\",this.name=\"\",this.hoverinfo=\"all\",this.connectgaps=!0,this.idToIndex=[],this.bounds=[0,0,0,0],this.hasLines=!1,this.lineOptions={positions:new Float32Array(0),color:[0,0,0,1],width:1,fill:[!1,!1,!1,!1],fillColor:[[0,0,0,1],[0,0,0,1],[0,0,0,1],[0,0,0,1]],dashes:[1]},this.line=d(t.glplot,this.lineOptions),this.line._trace=this,this.hasErrorX=!1,this.errorXOptions={positions:new Float32Array(0),errors:new Float32Array(0),lineWidth:1,capSize:0,color:[0,0,0,1]},this.errorX=p(t.glplot,this.errorXOptions),this.errorX._trace=this,this.hasErrorY=!1,this.errorYOptions={positions:new Float32Array(0),errors:new Float32Array(0),lineWidth:1,capSize:0,color:[0,0,0,1]},this.errorY=p(t.glplot,this.errorYOptions),this.errorY._trace=this,this.hasMarkers=!1,this.scatterOptions={positions:new Float32Array(0),sizes:[],colors:[],glyphs:[],borderWidths:[],borderColors:[],size:12,color:[0,0,0,1],borderSize:1,borderColor:[0,0,0,1]},this.scatter=h(t.glplot,this.scatterOptions),this.scatter._trace=this,this.fancyScatter=f(t.glplot,this.scatterOptions),this.fancyScatter._trace=this}function i(t,e,r){return Array.isArray(e)||(e=[e]),o(t,e,r)}function o(t,e,r){for(var n=new Array(r),i=e[0],o=0;r>o;++o)n[o]=t(o>=e.length?i:e[o]);return n}function a(t,e,r){return l(L(t,r),S(e,r),r)}function s(t,e,r,n){var i=x(t,e,n);return i=Array.isArray(i[0])?i:o(m.identity,[i],n),l(i,S(r,n),n)}function l(t,e,r){for(var n=new Array(4*r),i=0;r>i;++i){for(var o=0;3>o;++o)n[4*i+o]=t[i][o];n[4*i+3]=t[i][3]*e[i]}return n}function u(t,e){if(void 0===Float32Array.slice){for(var r=new Float32Array(e),n=0;e>n;n++)r[n]=t[n];return r}return t.slice(0,e)}function c(t,e){var r=new n(t,e.uid);return r.update(e),r}var h=t(\"gl-scatter2d\"),f=t(\"gl-scatter2d-fancy\"),d=t(\"gl-line2d\"),p=t(\"gl-error2d\"),v=t(\"fast-isnumeric\"),m=t(\"../../lib\"),g=t(\"../../plots/cartesian/axes\"),y=t(\"../../components/errorbars\"),b=t(\"../../lib/str2rgbarray\"),x=t(\"../../lib/gl_format_color\"),_=t(\"../scatter/subtypes\"),w=t(\"../scatter/make_bubble_size_func\"),M=t(\"../scatter/get_trace_color\"),k=t(\"../../constants/gl_markers\"),A=t(\"../../constants/gl2d_dashes\"),T=[\"xaxis\",\"yaxis\"],E=n.prototype;E.handlePick=function(t){var e=t.pointId;return(t.object!==this.line||this.connectgaps)&&(e=this.idToIndex[t.pointId]),{trace:this,dataCoord:t.dataCoord,traceCoord:[this.pickXData[e],this.pickYData[e]],textLabel:Array.isArray(this.textLabels)?this.textLabels[e]:this.textLabels,color:Array.isArray(this.color)?this.color[e]:this.color,name:this.name,hoverinfo:this.hoverinfo}},E.isFancy=function(t){if(\"linear\"!==this.scene.xaxis.type)return!0;if(\"linear\"!==this.scene.yaxis.type)return!0;if(!t.x||!t.y)return!0;if(this.hasMarkers){var e=t.marker||{};if(Array.isArray(e.symbol)||\"circle\"!==e.symbol||Array.isArray(e.size)||Array.isArray(e.color)||Array.isArray(e.line.width)||Array.isArray(e.line.color)||Array.isArray(e.opacity))return!0}return this.hasLines&&!this.connectgaps?!0:this.hasErrorX?!0:!!this.hasErrorY};var S=i.bind(null,function(t){return+t}),L=i.bind(null,b),z=i.bind(null,function(t){return k[t]||\"\\u25cf\"});E.update=function(t){t.visible!==!0?(this.hasLines=!1,this.hasErrorX=!1,this.hasErrorY=!1,this.hasMarkers=!1):(this.hasLines=_.hasLines(t),this.hasErrorX=t.error_x.visible===!0,this.hasErrorY=t.error_y.visible===!0,this.hasMarkers=_.hasMarkers(t)),this.textLabels=t.text,this.name=t.name,this.hoverinfo=t.hoverinfo,this.bounds=[1/0,1/0,-(1/0),-(1/0)],this.connectgaps=!!t.connectgaps,this.isFancy(t)?this.updateFancy(t):this.updateFast(t),this.color=M(t,{})},E.updateFast=function(t){for(var e,r,n=this.xData=this.pickXData=t.x,i=this.yData=this.pickYData=t.y,o=n.length,a=new Array(o),s=new Float32Array(2*o),l=this.bounds,c=0,h=0,f=0;o>f;++f)e=n[f],r=i[f],v(e)&&v(r)&&(a[c++]=f,s[h++]=e,s[h++]=r,l[0]=Math.min(l[0],e),l[1]=Math.min(l[1],r),l[2]=Math.max(l[2],e),l[3]=Math.max(l[3],r));s=u(s,h),this.idToIndex=a,this.updateLines(t,s),this.updateError(\"X\",t),this.updateError(\"Y\",t);var d;if(this.hasMarkers){this.scatterOptions.positions=s;var p=b(t.marker.color),m=b(t.marker.line.color),g=t.opacity*t.marker.opacity;p[3]*=g,this.scatterOptions.color=p,m[3]*=g,this.scatterOptions.borderColor=m,d=t.marker.size,this.scatterOptions.size=d,this.scatterOptions.borderSize=t.marker.line.width,this.scatter.update(this.scatterOptions)}else this.scatterOptions.positions=new Float32Array(0),this.scatterOptions.glyphs=[],this.scatter.update(this.scatterOptions);this.scatterOptions.positions=new Float32Array(0),this.scatterOptions.glyphs=[],this.fancyScatter.update(this.scatterOptions),this.expandAxesFast(l,d)},E.updateFancy=function(t){var e=this.scene,r=e.xaxis,n=e.yaxis,o=this.bounds,a=this.pickXData=r.makeCalcdata(t,\"x\").slice(),l=this.pickYData=n.makeCalcdata(t,\"y\").slice();this.xData=a.slice(),this.yData=l.slice();var c,h,f,d,p,v,m,g,b=y.calcFromTrace(t,e.fullLayout),x=a.length,_=new Array(x),M=new Float32Array(2*x),k=new Float32Array(4*x),A=new Float32Array(4*x),T=0,E=0,L=0,I=0,P=\"log\"===r.type?function(t){return r.d2l(t)}:function(t){return t},C=\"log\"===n.type?function(t){return n.d2l(t)}:function(t){return t};for(c=0;x>c;++c)this.xData[c]=f=P(a[c]),this.yData[c]=d=C(l[c]),isNaN(f)||isNaN(d)||(_[T++]=c,M[E++]=f,M[E++]=d,p=k[L++]=f-b[c].xs||0,v=k[L++]=b[c].xh-f||0,k[L++]=0,k[L++]=0,A[I++]=0,A[I++]=0,m=A[I++]=d-b[c].ys||0,g=A[I++]=b[c].yh-d||0,o[0]=Math.min(o[0],f-p),o[1]=Math.min(o[1],d-m),o[2]=Math.max(o[2],f+v),o[3]=Math.max(o[3],d+g));M=u(M,E),this.idToIndex=_,this.updateLines(t,M),this.updateError(\"X\",t,M,k),this.updateError(\"Y\",t,M,A);var R;if(this.hasMarkers){this.scatterOptions.positions=M,this.scatterOptions.sizes=new Array(T),this.scatterOptions.glyphs=new Array(T),this.scatterOptions.borderWidths=new Array(T),this.scatterOptions.colors=new Array(4*T),this.scatterOptions.borderColors=new Array(4*T);var D,O=w(t),F=t.marker,j=F.opacity,N=t.opacity,B=s(F,j,N,x),U=z(F.symbol,x),V=S(F.line.width,x),q=s(F.line,j,N,x);for(R=i(O,F.size,x),c=0;T>c;++c)for(D=_[c],this.scatterOptions.sizes[c]=4*R[D],this.scatterOptions.glyphs[c]=U[D],this.scatterOptions.borderWidths[c]=.5*V[D],h=0;4>h;++h)this.scatterOptions.colors[4*c+h]=B[4*D+h],this.scatterOptions.borderColors[4*c+h]=q[4*D+h];this.fancyScatter.update(this.scatterOptions)}else this.scatterOptions.positions=new Float32Array(0),this.scatterOptions.glyphs=[],this.fancyScatter.update(this.scatterOptions);this.scatterOptions.positions=new Float32Array(0),this.scatterOptions.glyphs=[],this.scatter.update(this.scatterOptions),this.expandAxesFancy(a,l,R)},E.updateLines=function(t,e){var r;if(this.hasLines){var n=e;if(!t.connectgaps){var i=0,o=this.xData,s=this.yData;for(n=new Float32Array(2*o.length),r=0;r<o.length;++r)n[i++]=o[r],n[i++]=s[r]}this.lineOptions.positions=n;var l=a(t.line.color,t.opacity,1),u=Math.round(.5*this.lineOptions.width),c=(A[t.line.dash]||[1]).slice();for(r=0;r<c.length;++r)c[r]*=u;switch(t.fill){case\"tozeroy\":this.lineOptions.fill=[!1,!0,!1,!1];break;case\"tozerox\":this.lineOptions.fill=[!0,!1,!1,!1];break;default:this.lineOptions.fill=[!1,!1,!1,!1]}var h=b(t.fillcolor);this.lineOptions.color=l,this.lineOptions.width=2*t.line.width,this.lineOptions.dashes=c,this.lineOptions.fillColor=[h,h,h,h]}else this.lineOptions.positions=new Float32Array(0);this.line.update(this.lineOptions)},E.updateError=function(t,e,r,n){var i=this[\"error\"+t],o=e[\"error_\"+t.toLowerCase()],s=this[\"error\"+t+\"Options\"];\"x\"===t.toLowerCase()&&o.copy_ystyle&&(o=e.error_y),this[\"hasError\"+t]?(s.positions=r,s.errors=n,s.capSize=o.width,s.lineWidth=o.thickness/2,s.color=a(o.color,1,1)):s.positions=new Float32Array(0),i.update(s)},E.expandAxesFast=function(t,e){for(var r,n,i,o=e||10,a=0;2>a;a++)r=this.scene[T[a]],n=r._min,n||(n=[]),n.push({val:t[a],pad:o}),i=r._max,i||(i=[]),i.push({val:t[a+2],pad:o})},E.expandAxesFancy=function(t,e,r){var n=this.scene,i={padded:!0,ppad:r};g.expand(n.xaxis,t,i),g.expand(n.yaxis,e,i)},E.dispose=function(){this.line.dispose(),this.errorX.dispose(),this.errorY.dispose(),this.scatter.dispose(),this.fancyScatter.dispose()},e.exports=c},{\"../../components/errorbars\":512,\"../../constants/gl2d_dashes\":552,\"../../constants/gl_markers\":554,\"../../lib\":568,\"../../lib/gl_format_color\":566,\"../../lib/str2rgbarray\":580,\"../../plots/cartesian/axes\":592,\"../scatter/get_trace_color\":758,\"../scatter/make_bubble_size_func\":764,\"../scatter/subtypes\":769,\"fast-isnumeric\":123,\"gl-error2d\":125,\"gl-line2d\":131,\"gl-scatter2d\":196,\"gl-scatter2d-fancy\":191}],785:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"../scatter/constants\"),o=t(\"../scatter/subtypes\"),a=t(\"../scatter/xy_defaults\"),s=t(\"../scatter/marker_defaults\"),l=t(\"../scatter/line_defaults\"),u=t(\"../scatter/fillcolor_defaults\"),c=t(\"../../components/errorbars/defaults\"),h=t(\"./attributes\");e.exports=function(t,e,r,f){function d(r,i){return n.coerce(t,e,h,r,i)}var p=a(t,e,d);return p?(d(\"text\"),d(\"mode\",p<i.PTS_LINESONLY?\"lines+markers\":\"lines\"),o.hasLines(e)&&(d(\"connectgaps\"),l(t,e,r,f,d)),o.hasMarkers(e)&&s(t,e,r,f,d),d(\"fill\"),\"none\"!==e.fill&&u(t,e,r,d),c(t,e,r,{axis:\"y\"}),void c(t,e,r,{axis:\"x\",inherit:\"y\"})):void(e.visible=!1)}},{\"../../components/errorbars/defaults\":511,\"../../lib\":568,\"../scatter/constants\":755,\"../scatter/fillcolor_defaults\":757,\"../scatter/line_defaults\":761,\"../scatter/marker_defaults\":765,\"../scatter/subtypes\":769,\"../scatter/xy_defaults\":771,\"./attributes\":783}],786:[function(t,e,r){\"use strict\";var n={};n.attributes=t(\"./attributes\"),n.supplyDefaults=t(\"./defaults\"),n.colorbar=t(\"../scatter/colorbar\"),n.calc=t(\"../scatter3d/calc\"),n.plot=t(\"./convert\"),n.moduleType=\"trace\",n.name=\"scattergl\",n.basePlotModule=t(\"../../plots/gl2d\"),n.categories=[\"gl2d\",\"symbols\",\"errorBarsOK\",\"markerColorscale\",\"showLegend\"],n.meta={},e.exports=n},{\"../../plots/gl2d\":625,\"../scatter/colorbar\":753,\"../scatter3d/calc\":773,\"./attributes\":783,\"./convert\":784,\"./defaults\":785}],787:[function(t,e,r){\"use strict\";var n=t(\"../scattergeo/attributes\"),i=t(\"../scatter/attributes\"),o=t(\"../../plots/mapbox/layout_attributes\"),a=t(\"../../plots/attributes\"),s=t(\"../../lib/extend\").extendFlat,l=n.line,u=n.marker;e.exports={lon:n.lon,lat:n.lat,mode:{valType:\"flaglist\",flags:[\"lines\",\"markers\",\"text\"],dflt:\"markers\",extras:[\"none\"]},text:s({},i.text,{}),line:{color:l.color,width:l.width,dash:l.dash},connectgaps:i.connectgaps,marker:{symbol:{valType:\"string\",dflt:\"circle\",arrayOk:!0},opacity:s({},u.opacity,{arrayOk:!1}),size:u.size,sizeref:u.sizeref,sizemin:u.sizemin,sizemode:u.sizemode,color:u.color,colorscale:u.colorscale,cauto:u.cauto,cmax:u.cmax,cmin:u.cmin,autocolorscale:u.autocolorscale,reversescale:u.reversescale,showscale:u.showscale},fill:{valType:\"enumerated\",values:[\"none\",\"toself\"],dflt:\"none\"},fillcolor:i.fillcolor,textfont:o.layers.symbol.textfont,textposition:o.layers.symbol.textposition,hoverinfo:s({},a.hoverinfo,{flags:[\"lon\",\"lat\",\"text\",\"name\"]}),_nestedModules:{\"marker.colorbar\":\"Colorbar\"}}},{\"../../lib/extend\":563,\"../../plots/attributes\":590,\"../../plots/mapbox/layout_attributes\":645,\"../scatter/attributes\":750,\"../scattergeo/attributes\":778}],788:[function(t,e,r){\"use strict\";var n=t(\"fast-isnumeric\"),i=t(\"../../lib\"),o=t(\"../../components/colorscale/has_colorscale\"),a=t(\"../../components/colorscale/make_scale_function\"),s=t(\"../scatter/subtypes\"),l=t(\"../scatter/colorscale_calc\"),u=t(\"../scatter/make_bubble_size_func\");e.exports=function(t,e){var r=e.lon.length,c=e.marker,h=s.hasMarkers(e),f=h&&Array.isArray(c.color),d=h&&Array.isArray(c.size),p=h&&Array.isArray(c.symbol),v=Array.isArray(e.text);l(e);for(var m=o(e,\"marker\")?a(c.colorscale,c.cmin,c.cmax):i.identity,g=s.isBubble(e)?u(e):i.identity,y=[],b=0,x=0;r>x;x++){var _=e.lon[x],w=e.lat[x];if(n(_)&&n(w)){var M={};if(b++,M.lonlat=[+_,+w],h){if(f){var k=c.color[x];M.mc=k,M.mcc=m(k)}if(d){var A=c.size[x];M.ms=A,M.mrc=g(A)}if(p){var T=c.symbol[x];M.mx=\"string\"==typeof T?T:\"circle\"}}if(v){var E=e.text[x];M.tx=\"string\"==typeof E?E:\"\"}y.push(M)}else b>0&&(y[b-1].gapAfter=!0)}return y}},{\"../../components/colorscale/has_colorscale\":496,\"../../components/colorscale/make_scale_function\":500,\"../../lib\":568,\"../scatter/colorscale_calc\":754,\"../scatter/make_bubble_size_func\":764,\"../scatter/subtypes\":769,\"fast-isnumeric\":123}],789:[function(t,e,r){\"use strict\";function n(){return{geojson:i(),layout:{visibility:\"none\"},paint:{}}}function i(){return{type:\"Point\",coordinates:[]}}function o(t,e){return{type:\"Polygon\",coordinates:e}}function a(t,e){return{type:\"MultiLineString\",coordinates:e}}function s(t,e){function r(t,r,n,i){void 0===e[r][n]&&(e[r][n]=i),t[r]=e[r][n]}for(var n=t[0].trace,i=n.marker,o=Array.isArray(i.color),a=Array.isArray(i.size),s=[],l=0;l<t.length;l++){var u=t[l],c={};o&&r(c,g,u.mcc,l),a&&r(c,y,u.mrc,l),s.push({type:\"Feature\",geometry:{type:\"Point\",coordinates:u.lonlat},properties:c})}return{type:\"FeatureCollection\",features:s}}function l(t){for(var e=t[0].trace,r=e.marker||{},n=r.symbol,i=e.text,o=\"circle\"!==n?f(n):d,a=v.hasText(e)?f(i):d,s=[],l=0;l<t.length;l++){var u=t[l];s.push({type:\"Feature\",geometry:{type:\"Point\",coordinates:u.lonlat},properties:{symbol:o(u.mx),text:a(u.tx)}})}return{type:\"FeatureCollection\",features:s}}function u(t,e){var r,n=t.marker;if(Array.isArray(n.color)){for(var i=Object.keys(e[g]),o=[],a=0;a<i.length;a++){var s=i[a];o.push([e[g][s],s])}r={property:g,stops:o}}else r=n.color;return r}function c(t,e){var r,n=t.marker;if(Array.isArray(n.size)){for(var i=Object.keys(e[y]),o=[],a=0;a<i.length;a++){var s=i[a];o.push([e[y][s],+s])}o.sort(function(t,e){return t[0]-e[0]}),r={property:y,stops:o}}else r=n.size/2;return r}function h(t){for(var e=t[0].trace,r=e.connectgaps,n=[],i=[],o=0;o<t.length;o++){var a=t[o];i.push(a.lonlat),!r&&a.gapAfter&&i.length>0&&(n.push(i),i=[])}return n.push(i),n}function f(t){return Array.isArray(t)?function(t){return t}:t?function(){return t}:d}function d(){return\"\"}var p=t(\"../../lib\"),v=t(\"../scatter/subtypes\"),m=t(\"../../plots/mapbox/convert_text_opts\"),g=\"circle-color\",y=\"circle-radius\";e.exports=function(t){var e=t[0].trace,r=e.visible===!0,i=\"none\"!==e.fill,f=v.hasLines(e),d=v.hasMarkers(e),b=v.hasText(e),x=d&&\"circle\"===e.marker.symbol,_=d&&\"circle\"!==e.marker.symbol,w=n(),M=n(),k=n(),A=n(),T={fill:w,line:M,circle:k,symbol:A};if(!r)return T;var E;if((i||f)&&(E=h(t)),i&&(w.geojson=o(t,E),w.layout.visibility=\"visible\",p.extendFlat(w.paint,{\"fill-color\":e.fillcolor})),f&&(M.geojson=a(t,E),M.layout.visibility=\"visible\",p.extendFlat(M.paint,{\"line-width\":e.line.width,\"line-color\":e.line.color,\"line-opacity\":e.opacity})),x){var S={};S[g]={},S[y]={},k.geojson=s(t,S),k.layout.visibility=\"visible\",p.extendFlat(k.paint,{\"circle-opacity\":e.opacity*e.marker.opacity,\"circle-color\":u(e,S),\"circle-radius\":c(e,S)})}if((_||b)&&(A.geojson=l(t),p.extendFlat(A.layout,{visibility:\"visible\",\"icon-image\":\"{symbol}-15\",\"text-field\":\"{text}\"}),_&&(p.extendFlat(A.layout,{\"icon-size\":e.marker.size/10}),p.extendFlat(A.paint,{\"icon-opacity\":e.opacity*e.marker.opacity,\"icon-color\":e.marker.color})),b)){var L=(e.marker||{}).size,z=m(e.textposition,L);p.extendFlat(A.layout,{\"text-size\":e.textfont.size,\"text-anchor\":z.anchor,\"text-offset\":z.offset}),p.extendFlat(A.paint,{\"text-color\":e.textfont.color,\"text-opacity\":e.opacity})}return T}},{\"../../lib\":568,\"../../plots/mapbox/convert_text_opts\":642,\"../scatter/subtypes\":769}],790:[function(t,e,r){\"use strict\";function n(t,e,r){var n=r(\"lon\")||[],i=r(\"lat\")||[],o=Math.min(n.length,i.length);return o<n.length&&(e.lon=n.slice(0,o)),o<i.length&&(e.lat=i.slice(0,o)),o}var i=t(\"../../lib\"),o=t(\"../scatter/subtypes\"),a=t(\"../scatter/marker_defaults\"),s=t(\"../scatter/line_defaults\"),l=t(\"../scatter/text_defaults\"),u=t(\"../scatter/fillcolor_defaults\"),c=t(\"./attributes\"),h=t(\"../scatter/attributes\");e.exports=function(t,e,r,f){function d(r,n){return i.coerce(t,e,c,r,n)}function p(r,n){var o=-1===r.indexOf(\".line\")?c:h;return i.coerce(t,e,o,r,n)}var v=n(t,e,d);if(!v)return void(e.visible=!1);if(d(\"text\"),d(\"mode\"),o.hasLines(e)&&(s(t,e,r,f,d),d(\"connectgaps\")),o.hasMarkers(e)){a(t,e,r,f,p);var m=e.marker;\"circle\"!==m.symbol&&(Array.isArray(m.size)&&(m.size=m.size[0]),Array.isArray(m.color)&&(m.color=m.color[0]))}o.hasText(e)&&l(t,e,f,d),d(\"fill\"),\"none\"!==e.fill&&u(t,e,r,d),d(\"hoverinfo\",1===f._dataLength?\"lon+lat+text\":void 0)}},{\"../../lib\":568,\"../scatter/attributes\":750,\"../scatter/fillcolor_defaults\":757,\"../scatter/line_defaults\":761,\"../scatter/marker_defaults\":765,\"../scatter/subtypes\":769,\"../scatter/text_defaults\":770,\"./attributes\":787}],791:[function(t,e,r){\"use strict\";function n(t,e){function r(t){return t+\"\\xb0\"}var n=t.hoverinfo.split(\"+\"),i=-1!==n.indexOf(\"all\"),o=-1!==n.indexOf(\"lon\"),a=-1!==n.indexOf(\"lat\"),s=e.lonlat,l=[];return i||o&&a?l.push(\"(\"+r(s[0])+\", \"+r(s[1])+\")\"):o?l.push(\"lon: \"+r(s[0])):a&&l.push(\"lat: \"+r(s[1])),(i||-1!==n.indexOf(\"text\"))&&l.push(e.tx||t.text),l.join(\"<br>\")}var i=t(\"../../plots/cartesian/graph_interact\"),o=t(\"../scatter/get_trace_color\");e.exports=function(t,e,r){function a(t){var e=t.lonlat,n=Math.abs(u.c2p(e)-u.c2p([d,e[1]])),i=Math.abs(c.c2p(e)-c.c2p([e[0],r])),o=Math.max(3,t.mrc||0);return Math.max(Math.sqrt(n*n+i*i)-o,1-3/o)}var s=t.cd,l=s[0].trace,u=t.xa,c=t.ya,h=e>=0?Math.floor((e+180)/360):Math.ceil((e-180)/360),f=360*h,d=e-f;if(i.getClosest(s,a,t),t.index!==!1){var p=s[t.index],v=p.lonlat,m=[v[0]+f,v[1]],g=u.c2p(m),y=c.c2p(m),b=p.mrc||1;return t.x0=g-b,t.x1=g+b,t.y0=y-b,t.y1=y+b,t.color=o(l,p),t.extraText=n(l,p),[t]}}},{\"../../plots/cartesian/graph_interact\":599,\"../scatter/get_trace_color\":758}],792:[function(t,e,r){\"use strict\";var n={};n.attributes=t(\"./attributes\"),n.supplyDefaults=t(\"./defaults\"),n.colorbar=t(\"../scatter/colorbar\"),n.calc=t(\"./calc\"),n.hoverPoints=t(\"./hover\"),n.plot=t(\"./plot\"),n.moduleType=\"trace\",n.name=\"scattermapbox\",n.basePlotModule=t(\"../../plots/mapbox\"),n.categories=[\"mapbox\",\"gl\",\"symbols\",\"markerColorscale\",\"showLegend\"],n.meta={},e.exports=n},{\"../../plots/mapbox\":643,\"../scatter/colorbar\":753,\"./attributes\":787,\"./calc\":788,\"./defaults\":790,\"./hover\":791,\"./plot\":793}],793:[function(t,e,r){\"use strict\";function n(t,e){this.mapbox=t,this.map=t.map,this.uid=e,this.idSourceFill=e+\"-source-fill\",this.idSourceLine=e+\"-source-line\",this.idSourceCircle=e+\"-source-circle\",this.idSourceSymbol=e+\"-source-symbol\",this.idLayerFill=e+\"-layer-fill\",this.idLayerLine=e+\"-layer-line\",this.idLayerCircle=e+\"-layer-circle\",this.idLayerSymbol=e+\"-layer-symbol\",this.sourceFill=t.createGeoJSONSource(),this.map.addSource(this.idSourceFill,this.sourceFill),this.sourceLine=t.createGeoJSONSource(),this.map.addSource(this.idSourceLine,this.sourceLine),this.sourceCircle=t.createGeoJSONSource(),this.map.addSource(this.idSourceCircle,this.sourceCircle),this.sourceSymbol=t.createGeoJSONSource(),this.map.addSource(this.idSourceSymbol,this.sourceSymbol),this.map.addLayer({id:this.idLayerFill,source:this.idSourceFill,type:\"fill\"}),this.map.addLayer({id:this.idLayerLine,source:this.idSourceLine,type:\"line\"}),this.map.addLayer({id:this.idLayerCircle,source:this.idSourceCircle,type:\"circle\"}),this.map.addLayer({id:this.idLayerSymbol,source:this.idSourceSymbol,type:\"symbol\"})}function i(t){return\"visible\"===t.layout.visibility}var o=t(\"./convert\"),a=n.prototype;a.update=function(t){var e=this.mapbox,r=o(t);e.setOptions(this.idLayerFill,\"setLayoutProperty\",r.fill.layout),e.setOptions(this.idLayerLine,\"setLayoutProperty\",r.line.layout),e.setOptions(this.idLayerCircle,\"setLayoutProperty\",r.circle.layout),e.setOptions(this.idLayerSymbol,\"setLayoutProperty\",r.symbol.layout),i(r.fill)&&(this.sourceFill.setData(r.fill.geojson),e.setOptions(this.idLayerFill,\"setPaintProperty\",r.fill.paint)),i(r.line)&&(this.sourceLine.setData(r.line.geojson),e.setOptions(this.idLayerLine,\"setPaintProperty\",r.line.paint)),i(r.circle)&&(this.sourceCircle.setData(r.circle.geojson),e.setOptions(this.idLayerCircle,\"setPaintProperty\",r.circle.paint)),i(r.symbol)&&(this.sourceSymbol.setData(r.symbol.geojson),e.setOptions(this.idLayerSymbol,\"setPaintProperty\",r.symbol.paint))},a.dispose=function(){var t=this.map;t.removeLayer(this.idLayerFill),t.removeLayer(this.idLayerLine),t.removeLayer(this.idLayerCircle),t.removeLayer(this.idLayerSymbol),t.removeSource(this.idSourceFill),t.removeSource(this.idSourceLine),t.removeSource(this.idSourceCircle),t.removeSource(this.idSourceSymbol)},e.exports=function(t,e){var r=e[0].trace,i=new n(t,r.uid);return i.update(e),i}},{\"./convert\":789}],794:[function(t,e,r){\"use strict\";var n=t(\"../scatter/attributes\"),i=t(\"../../plots/attributes\"),o=t(\"../../components/colorscale/color_attributes\"),a=t(\"../../lib/extend\").extendFlat,s=n.marker,l=n.line,u=s.line;e.exports={a:{valType:\"data_array\"},b:{valType:\"data_array\"},c:{valType:\"data_array\"},sum:{valType:\"number\",dflt:0,min:0},mode:a({},n.mode,{dflt:\"markers\"}),text:a({},n.text,{}),line:{color:l.color,width:l.width,dash:l.dash,shape:a({},l.shape,{values:[\"linear\",\"spline\"]}),smoothing:l.smoothing},connectgaps:n.connectgaps,fill:a({},n.fill,{values:[\"none\",\"toself\",\"tonext\"]}),fillcolor:n.fillcolor,marker:a({},{symbol:s.symbol,opacity:s.opacity,maxdisplayed:s.maxdisplayed,size:s.size,sizeref:s.sizeref,sizemin:s.sizemin,sizemode:s.sizemode,showscale:s.showscale,line:a({},{width:u.width},o(\"marker\".line))},o(\"marker\")),textfont:n.textfont,textposition:n.textposition,hoverinfo:a({},i.hoverinfo,{flags:[\"a\",\"b\",\"c\",\"text\",\"name\"]}),hoveron:n.hoveron,_nestedModules:{\"marker.colorbar\":\"Colorbar\"}}},{\"../../components/colorscale/color_attributes\":491,\"../../lib/extend\":563,\"../../plots/attributes\":590,\"../scatter/attributes\":750}],795:[function(t,e,r){\"use strict\";var n=t(\"fast-isnumeric\"),i=t(\"../../plots/cartesian/axes\"),o=t(\"../../lib\"),a=t(\"../scatter/subtypes\"),s=t(\"../scatter/colorscale_calc\"),l=[\"a\",\"b\",\"c\"],u={a:[\"b\",\"c\"],b:[\"a\",\"c\"],c:[\"a\",\"b\"]};e.exports=function(t,e){var r,c,h,f,d,p,v=t._fullLayout[e.subplot],m=v.sum,g=e.sum||m;for(r=0;r<l.length;r++)if(h=l[r],!e[h]){for(d=e[u[h][0]],p=e[u[h][1]],f=new Array(d.length),c=0;c<d.length;c++)f[c]=g-d[c]-p[c];e[h]=f}var y,b,x,_,w,M,k=e.a.length,A=new Array(k);for(r=0;k>r;r++)y=e.a[r],b=e.b[r],x=e.c[r],n(y)&&n(b)&&n(x)?(y=+y,b=+b,x=+x,_=m/(y+b+x),1!==_&&(y*=_,b*=_,x*=_),M=y,w=x-b,A[r]={x:w,y:M,a:y,b:b,c:x}):A[r]={x:!1,y:!1};var T,E;if(a.hasMarkers(e)&&(T=e.marker,E=T.size,Array.isArray(E))){var S={type:\"linear\"};i.setConvert(S),E=S.makeCalcdata(e.marker,\"size\"),E.length>k&&E.splice(k,E.length-k)}return s(e),void 0!==typeof E&&o.mergeArray(E,A,\"ms\"),A}},{\"../../lib\":568,\"../../plots/cartesian/axes\":592,\"../scatter/colorscale_calc\":754,\"../scatter/subtypes\":769,\"fast-isnumeric\":123}],796:[function(t,e,r){\"use strict\";var n=t(\"../../lib\"),i=t(\"../scatter/constants\"),o=t(\"../scatter/subtypes\"),a=t(\"../scatter/marker_defaults\"),s=t(\"../scatter/line_defaults\"),l=t(\"../scatter/line_shape_defaults\"),u=t(\"../scatter/text_defaults\"),c=t(\"../scatter/fillcolor_defaults\"),h=t(\"./attributes\");e.exports=function(t,e,r,f){function d(r,i){return n.coerce(t,e,h,r,i)}var p,v=d(\"a\"),m=d(\"b\"),g=d(\"c\");if(v?(p=v.length,m?(p=Math.min(p,m.length),g&&(p=Math.min(p,g.length))):p=g?Math.min(p,g.length):0):m&&g&&(p=Math.min(m.length,g.length)),!p)return void(e.visible=!1);v&&p<v.length&&(e.a=v.slice(0,p)),m&&p<m.length&&(e.b=m.slice(0,p)),g&&p<g.length&&(e.c=g.slice(0,p)),d(\"sum\"),d(\"text\");var y=p<i.PTS_LINESONLY?\"lines+markers\":\"lines\";d(\"mode\",y),o.hasLines(e)&&(s(t,e,r,f,d),l(t,e,d),d(\"connectgaps\")),o.hasMarkers(e)&&a(t,e,r,f,d),o.hasText(e)&&u(t,e,f,d);var b=[];(o.hasMarkers(e)||o.hasText(e))&&(d(\"marker.maxdisplayed\"),b.push(\"points\")),d(\"fill\"),\"none\"!==e.fill&&(c(t,e,r,d),o.hasLines(e)||l(t,e,d)),d(\"hoverinfo\",1===f._dataLength?\"a+b+c+text\":void 0),\"tonext\"!==e.fill&&\"toself\"!==e.fill||b.push(\"fills\"),d(\"hoveron\",b.join(\"+\")||\"points\")}},{\"../../lib\":568,\"../scatter/constants\":755,\"../scatter/fillcolor_defaults\":757,\"../scatter/line_defaults\":761,\"../scatter/line_shape_defaults\":763,\"../scatter/marker_defaults\":765,\"../scatter/subtypes\":769,\"../scatter/text_defaults\":770,\"./attributes\":794}],797:[function(t,e,r){\"use strict\";var n=t(\"../scatter/hover\"),i=t(\"../../plots/cartesian/axes\");\ne.exports=function(t,e,r,o){function a(t,e){g.push(t._hovertitle+\": \"+i.tickText(t,e,\"hover\").text)}var s=n(t,e,r,o);if(s&&s[0].index!==!1){var l=s[0];if(void 0===l.index){var u=1-l.y0/t.ya._length,c=t.xa._length,h=c*u/2,f=c-h;return l.x0=Math.max(Math.min(l.x0,f),h),l.x1=Math.max(Math.min(l.x1,f),h),s}var d=l.cd[l.index];l.a=d.a,l.b=d.b,l.c=d.c,l.xLabelVal=void 0,l.yLabelVal=void 0;var p=l.trace,v=p._ternary,m=p.hoverinfo.split(\"+\"),g=[];return-1!==m.indexOf(\"all\")&&(m=[\"a\",\"b\",\"c\"]),-1!==m.indexOf(\"a\")&&a(v.aaxis,d.a),-1!==m.indexOf(\"b\")&&a(v.baxis,d.b),-1!==m.indexOf(\"c\")&&a(v.caxis,d.c),l.extraText=g.join(\"<br>\"),s}}},{\"../../plots/cartesian/axes\":592,\"../scatter/hover\":759}],798:[function(t,e,r){\"use strict\";var n={};n.attributes=t(\"./attributes\"),n.supplyDefaults=t(\"./defaults\"),n.colorbar=t(\"../scatter/colorbar\"),n.calc=t(\"./calc\"),n.plot=t(\"./plot\"),n.style=t(\"./style\"),n.hoverPoints=t(\"./hover\"),n.selectPoints=t(\"./select\"),n.moduleType=\"trace\",n.name=\"scatterternary\",n.basePlotModule=t(\"../../plots/ternary\"),n.categories=[\"ternary\",\"symbols\",\"markerColorscale\",\"showLegend\"],n.meta={},e.exports=n},{\"../../plots/ternary\":655,\"../scatter/colorbar\":753,\"./attributes\":794,\"./calc\":795,\"./defaults\":796,\"./hover\":797,\"./plot\":799,\"./select\":800,\"./style\":801}],799:[function(t,e,r){\"use strict\";var n=t(\"../scatter/plot\");e.exports=function(t,e){var r=t.plotContainer;r.select(\".scatterlayer\").selectAll(\"*\").remove();for(var i={x:function(){return t.xaxis},y:function(){return t.yaxis},plot:r},o=new Array(e.length),a=t.graphDiv.calcdata,s=0;s<a.length;s++){var l=e.indexOf(a[s][0].trace);-1!==l&&(o[l]=a[s],e[l]._ternary=t)}n(t.graphDiv,i,o)}},{\"../scatter/plot\":766}],800:[function(t,e,r){\"use strict\";var n=t(\"../scatter/select\");e.exports=function(t,e){var r=n(t,e);if(r){var i,o,a,s=t.cd;for(a=0;a<r.length;a++)i=r[a],o=s[i.pointNumber],i.a=o.a,i.b=o.b,i.c=o.c,delete i.x,delete i.y;return r}}},{\"../scatter/select\":767}],801:[function(t,e,r){\"use strict\";var n=t(\"../scatter/style\");e.exports=function(t){for(var e=t._fullLayout._modules,r=0;r<e.length;r++)if(\"scatter\"===e[r].name)return;n(t)}},{\"../scatter/style\":768}],802:[function(t,e,r){\"use strict\";function n(t){return{valType:\"boolean\",dflt:!1}}function i(t){return{show:{valType:\"boolean\",dflt:!1},project:{x:n(\"x\"),y:n(\"y\"),z:n(\"z\")},color:{valType:\"color\",dflt:o.defaultLine},usecolormap:{valType:\"boolean\",dflt:!1},width:{valType:\"number\",min:1,max:16,dflt:2},highlight:{valType:\"boolean\",dflt:!0},highlightcolor:{valType:\"color\",dflt:o.defaultLine},highlightwidth:{valType:\"number\",min:1,max:16,dflt:2}}}var o=t(\"../../components/color\"),a=t(\"../../components/colorscale/attributes\"),s=t(\"../../lib/extend\").extendFlat;e.exports={z:{valType:\"data_array\"},x:{valType:\"data_array\"},y:{valType:\"data_array\"},text:{valType:\"data_array\"},surfacecolor:{valType:\"data_array\"},cauto:a.zauto,cmin:a.zmin,cmax:a.zmax,colorscale:a.colorscale,autocolorscale:s({},a.autocolorscale,{dflt:!1}),reversescale:a.reversescale,showscale:a.showscale,contours:{x:i(\"x\"),y:i(\"y\"),z:i(\"z\")},hidesurface:{valType:\"boolean\",dflt:!1},lightposition:{x:{valType:\"number\",min:-1e5,max:1e5,dflt:10},y:{valType:\"number\",min:-1e5,max:1e5,dflt:1e4},z:{valType:\"number\",min:-1e5,max:1e5,dflt:0}},lighting:{ambient:{valType:\"number\",min:0,max:1,dflt:.8},diffuse:{valType:\"number\",min:0,max:1,dflt:.8},specular:{valType:\"number\",min:0,max:2,dflt:.05},roughness:{valType:\"number\",min:0,max:1,dflt:.5},fresnel:{valType:\"number\",min:0,max:5,dflt:.2}},opacity:{valType:\"number\",min:0,max:1,dflt:1},_nestedModules:{colorbar:\"Colorbar\"},_deprecated:{zauto:s({},a.zauto,{}),zmin:s({},a.zmin,{}),zmax:s({},a.zmax,{})}}},{\"../../components/color\":483,\"../../components/colorscale/attributes\":489,\"../../lib/extend\":563}],803:[function(t,e,r){\"use strict\";var n=t(\"../../components/colorscale/calc\");e.exports=function(t,e){e.surfacecolor?n(e,e.surfacecolor,\"\",\"c\"):n(e,e.z,\"\",\"c\")}},{\"../../components/colorscale/calc\":490}],804:[function(t,e,r){\"use strict\";var n=t(\"d3\"),i=t(\"fast-isnumeric\"),o=t(\"../../lib\"),a=t(\"../../plots/plots\"),s=t(\"../../components/colorscale/get_scale\"),l=t(\"../../components/colorbar/draw\");e.exports=function(t,e){var r=e[0].trace,u=\"cb\"+r.uid,c=s(r.colorscale),h=r.cmin,f=r.cmax,d=r.surfacecolor||r.z;if(i(h)||(h=o.aggNums(Math.min,null,d)),i(f)||(f=o.aggNums(Math.max,null,d)),t._fullLayout._infolayer.selectAll(\".\"+u).remove(),!r.showscale)return void a.autoMargin(t,u);var p=e[0].t.cb=l(t,u);p.fillcolor(n.scale.linear().domain(c.map(function(t){return h+t[0]*(f-h)})).range(c.map(function(t){return t[1]}))).filllevels({start:h,end:f,size:(f-h)/254}).options(r.colorbar)()}},{\"../../components/colorbar/draw\":486,\"../../components/colorscale/get_scale\":495,\"../../lib\":568,\"../../plots/plots\":648,d3:119,\"fast-isnumeric\":123}],805:[function(t,e,r){\"use strict\";function n(t,e,r){this.scene=t,this.uid=r,this.surface=e,this.data=null,this.showContour=[!1,!1,!1],this.dataScale=1}function i(t,e){return void 0===e&&(e=1),t.map(function(t){var r=t[0],n=d(t[1]),i=n.toRgb();return{index:r,rgb:[i.r,i.g,i.b,e]}})}function o(t){var e=t.shape,r=[e[0]+2,e[1]+2],n=u(new Float32Array(r[0]*r[1]),r);return f.assign(n.lo(1,1).hi(e[0],e[1]),t),f.assign(n.lo(1).hi(e[0],1),t.hi(e[0],1)),f.assign(n.lo(1,r[1]-1).hi(e[0],1),t.lo(0,e[1]-1).hi(e[0],1)),f.assign(n.lo(0,1).hi(1,e[1]),t.hi(1)),f.assign(n.lo(r[0]-1,1).hi(1,e[1]),t.lo(e[0]-1)),n.set(0,0,t.get(0,0)),n.set(0,r[1]-1,t.get(0,e[1]-1)),n.set(r[0]-1,0,t.get(e[0]-1,0)),n.set(r[0]-1,r[1]-1,t.get(e[0]-1,e[1]-1)),n}function a(t){var e=Math.max(t[0].shape[0],t[0].shape[1]);if(v>e){for(var r=v/e,n=[0|Math.floor(t[0].shape[0]*r+1),0|Math.floor(t[0].shape[1]*r+1)],i=n[0]*n[1],a=0;a<t.length;++a){var s=o(t[a]),l=u(new Float32Array(i),n);c(l,s,[r,0,0,0,r,0,0,0,1]),t[a]=l}return r}return 1}function s(t,e){var r=t.glplot.gl,i=l({gl:r}),o=new n(t,i,e.uid);return o.update(e),t.glplot.add(i),o}var l=t(\"gl-surface3d\"),u=t(\"ndarray\"),c=t(\"ndarray-homography\"),h=t(\"ndarray-fill\"),f=t(\"ndarray-ops\"),d=t(\"tinycolor2\"),p=t(\"../../lib/str2rgbarray\"),v=128,m=n.prototype;m.handlePick=function(t){if(t.object===this.surface){var e=[Math.min(0|Math.round(t.data.index[0]/this.dataScale-1),this.data.z[0].length-1),Math.min(0|Math.round(t.data.index[1]/this.dataScale-1),this.data.z.length-1)],r=[0,0,0];Array.isArray(this.data.x[0])?r[0]=this.data.x[e[1]][e[0]]:r[0]=this.data.x[e[0]],Array.isArray(this.data.y[0])?r[1]=this.data.y[e[1]][e[0]]:r[1]=this.data.y[e[1]],r[2]=this.data.z[e[1]][e[0]],t.traceCoordinate=r;var n=this.scene.fullSceneLayout;t.dataCoordinate=[n.xaxis.d2l(r[0])*this.scene.dataScale[0],n.yaxis.d2l(r[1])*this.scene.dataScale[1],n.zaxis.d2l(r[2])*this.scene.dataScale[2]];var i=this.data.text;return i&&i[e[1]]&&void 0!==i[e[1]][e[0]]?t.textLabel=i[e[1]][e[0]]:t.textLabel=\"\",t.data.dataCoordinate=t.dataCoordinate.slice(),this.surface.highlight(t.data),this.scene.glplot.spikes.position=t.dataCoordinate,!0}},m.setContourLevels=function(){for(var t=[[],[],[]],e=!1,r=0;3>r;++r)this.showContour[r]&&(e=!0,t[r]=this.scene.contourLevels[r]);e&&this.surface.update({levels:t})},m.update=function(t){var e,r=this.scene,n=r.fullSceneLayout,o=this.surface,s=t.opacity,l=i(t.colorscale,s),c=t.z,f=t.x,d=t.y,v=n.xaxis,m=n.yaxis,g=n.zaxis,y=r.dataScale,b=c[0].length,x=c.length,_=[u(new Float32Array(b*x),[b,x]),u(new Float32Array(b*x),[b,x]),u(new Float32Array(b*x),[b,x])],w=_[0],M=_[1],k=r.contourLevels;this.data=t,h(_[2],function(t,e){return g.d2l(c[e][t])*y[2]}),Array.isArray(f[0])?h(w,function(t,e){return v.d2l(f[e][t])*y[0]}):h(w,function(t){return v.d2l(f[t])*y[0]}),Array.isArray(d[0])?h(M,function(t,e){return m.d2l(d[e][t])*y[1]}):h(M,function(t,e){return m.d2l(d[e])*y[1]});var A={colormap:l,levels:[[],[],[]],showContour:[!0,!0,!0],showSurface:!t.hidesurface,contourProject:[[!1,!1,!1],[!1,!1,!1],[!1,!1,!1]],contourWidth:[1,1,1],contourColor:[[1,1,1,1],[1,1,1,1],[1,1,1,1]],contourTint:[1,1,1],dynamicColor:[[1,1,1,1],[1,1,1,1],[1,1,1,1]],dynamicWidth:[1,1,1],dynamicTint:[1,1,1],opacity:1};if(A.intensityBounds=[t.cmin,t.cmax],t.surfacecolor){var T=u(new Float32Array(b*x),[b,x]);h(T,function(e,r){return t.surfacecolor[r][e]}),_.push(T)}else A.intensityBounds[0]*=y[2],A.intensityBounds[1]*=y[2];this.dataScale=a(_),t.surfacecolor&&(A.intensity=_.pop()),\"opacity\"in t&&t.opacity<1&&(A.opacity=.25*t.opacity);var E=[!0,!0,!0],S=[\"x\",\"y\",\"z\"];for(e=0;3>e;++e){var L=t.contours[S[e]];E[e]=L.highlight,A.showContour[e]=L.show||L.highlight,A.showContour[e]&&(A.contourProject[e]=[L.project.x,L.project.y,L.project.z],L.show?(this.showContour[e]=!0,A.levels[e]=k[e],o.highlightColor[e]=A.contourColor[e]=p(L.color),L.usecolormap?o.highlightTint[e]=A.contourTint[e]=0:o.highlightTint[e]=A.contourTint[e]=1,A.contourWidth[e]=L.width):this.showContour[e]=!1,L.highlight&&(A.dynamicColor[e]=p(L.highlightcolor),A.dynamicWidth[e]=L.highlightwidth))}A.coords=_,o.update(A),o.visible=t.visible,o.enableDynamic=E,o.snapToData=!0,\"lighting\"in t&&(o.ambientLight=t.lighting.ambient,o.diffuseLight=t.lighting.diffuse,o.specularLight=t.lighting.specular,o.roughness=t.lighting.roughness,o.fresnel=t.lighting.fresnel),\"lightposition\"in t&&(o.lightPosition=[t.lightposition.x,t.lightposition.y,t.lightposition.z]),s&&1>s&&(o.supportsTransparency=!0)},m.dispose=function(){this.scene.glplot.remove(this.surface),this.surface.dispose()},e.exports=s},{\"../../lib/str2rgbarray\":580,\"gl-surface3d\":227,ndarray:433,\"ndarray-fill\":426,\"ndarray-homography\":431,\"ndarray-ops\":432,tinycolor2:454}],806:[function(t,e,r){\"use strict\";function n(t,e,r){e in t&&!(r in t)&&(t[r]=t[e])}var i=t(\"../../lib\"),o=t(\"../../components/colorscale/defaults\"),a=t(\"./attributes\");e.exports=function(t,e,r,s){function l(r,n){return i.coerce(t,e,a,r,n)}var u,c,h=l(\"z\");if(!h)return void(e.visible=!1);var f=h[0].length,d=h.length;if(l(\"x\"),l(\"y\"),!Array.isArray(e.x))for(e.x=[],u=0;f>u;++u)e.x[u]=u;if(l(\"text\"),!Array.isArray(e.y))for(e.y=[],u=0;d>u;++u)e.y[u]=u;[\"lighting.ambient\",\"lighting.diffuse\",\"lighting.specular\",\"lighting.roughness\",\"lighting.fresnel\",\"lightposition.x\",\"lightposition.y\",\"lightposition.z\",\"hidesurface\",\"opacity\"].forEach(function(t){l(t)});var p=l(\"surfacecolor\");l(\"colorscale\");var v=[\"x\",\"y\",\"z\"];for(u=0;3>u;++u){var m=\"contours.\"+v[u],g=l(m+\".show\"),y=l(m+\".highlight\");if(g||y)for(c=0;3>c;++c)l(m+\".project.\"+v[c]);g&&(l(m+\".color\"),l(m+\".width\"),l(m+\".usecolormap\")),y&&(l(m+\".highlightcolor\"),l(m+\".highlightwidth\"))}p||(n(t,\"zmin\",\"cmin\"),n(t,\"zmax\",\"cmax\"),n(t,\"zauto\",\"cauto\")),o(t,e,s,l,{prefix:\"\",cLetter:\"c\"})}},{\"../../components/colorscale/defaults\":493,\"../../lib\":568,\"./attributes\":802}],807:[function(t,e,r){\"use strict\";var n={};n.attributes=t(\"./attributes\"),n.supplyDefaults=t(\"./defaults\"),n.colorbar=t(\"./colorbar\"),n.calc=t(\"./calc\"),n.plot=t(\"./convert\"),n.moduleType=\"trace\",n.name=\"surface\",n.basePlotModule=t(\"../../plots/gl3d\"),n.categories=[\"gl3d\",\"noOpacity\"],n.meta={},e.exports=n},{\"../../plots/gl3d\":628,\"./attributes\":802,\"./calc\":803,\"./colorbar\":804,\"./convert\":805,\"./defaults\":806}]},{},[12])(12)});\n});require(['plotly'], function(Plotly) {window.Plotly = Plotly;});}</script></div>",
-                "elapsedTime": 1743
+                "shellId": "754F927B503E4D858FA31F4517283C29",
+                "height": 34,
+                "elapsedTime": 1768
             },
             "evaluatorReader": true,
-            "lineCount": 62,
+            "lineCount": 64,
             "initialization": true
         },
         {
@@ -161,52 +162,119 @@
                     "  ",
                     "  function qmmlUpdateForm() {",
                     "    var ds = document.getElementById(\"qmmldemo_dataset\").value;",
+                    "    ",
+                    "    var dsd = document.getElementById(\"qmmldemo_dataset_description\");",
+                    "    var p   = document.getElementById(\"qmmldemo_property\"); p.innerHTML = '';",
+                    "    var td  = document.getElementById(\"qmmldemo_traindata\"); td.innerHTML = '';",
                     "",
-                    "    // update property",
-                    "    var p = document.getElementById(\"qmmldemo_property\");",
-                    "    p.innerHTML = ''",
                     "    switch(ds) {",
-                    "      case \"1\": ",
-                    "        addDropdownChoice(p, \"1\", \"atomization energy\");",
-                    "        break;",
-                    "      case \"2\":",
-                    "        addDropdownChoice(p, \"1\", \"atomization energy\");",
-                    "        break;",
-                    "      case \"3\":",
-                    "        addDropdownChoice(p, \"1\", \"atomization energy\");",
-                    "        break;",
-                    "      case \"4\":",
-                    "        addDropdownChoice(p, \"1\", \"atomization energy\");",
+                    "      case \"1\":  // PRL 2012",
+                    "        dsd.innerHTML = '   M.&nbsp;Rupp <i>et&nbsp;al</i>, Phys. Rev. Lett. 108(5): 058301, 2012  <a href=\"http://dx.doi.org/10.1103/PhysRevLett.108.058301\">DOI</a>';",
+                    "",
+                    "        addDropdownChoice(p, \"1\", \"atomization energy (DFT/PBE0)\");",
+                    "",
+                    "        addRadiobuttonChoice(td, \"1000\", \"qmmldemo_traindata_radio\", \"1k\", true );",
+                    "        addRadiobuttonChoice(td, \"3000\", \"qmmldemo_traindata_radio\", \"2k\", false);",
+                    "        addRadiobuttonChoice(td, \"5000\", \"qmmldemo_traindata_radio\", \"5k\", false);",
+                    "        ",
                     "        break;",
-                    "    }",
-                    "    ",
-                    "    // update training data",
-                    "    var td = document.getElementById(\"qmmldemo_traindata\");",
-                    "    td.innerHTML = ''",
-                    "    switch(ds) {",
-                    "      case \"1\":",
+                    "        ",
+                    "      case \"2\":  // New J Phys 2013",
+                    "        dsd.innerHTML = '   G.&nbsp;Montavon <i>et&nbsp;al</i>, New J. Phys. 15(9): 095003, 2013  <a href=\"http://dx.doi.org/10.1088/1367-2630/15/9/095003\">DOI</a>';",
+                    "        ",
+                    "        addDropdownChoice(p, \"1\", \"atomization energy (DFT/PBE0)\");",
+                    "        addDropdownChoice(p, \"2\", \"static polarizability (DFT/PBE0)\");",
+                    "        addDropdownChoice(p, \"3\", \"HOMO (DFT/PBE0)\");",
+                    "        addDropdownChoice(p, \"4\", \"HOMO (GW)\");",
+                    "        addDropdownChoice(p, \"5\", \"LUMO (DFT/PBE0)\");",
+                    "        addDropdownChoice(p, \"6\", \"LUMO (GW)\");",
+                    "",
                     "        addRadiobuttonChoice(td, \"1000\", \"qmmldemo_traindata_radio\", \"1k\", true );",
                     "        addRadiobuttonChoice(td, \"3000\", \"qmmldemo_traindata_radio\", \"2k\", false);",
                     "        addRadiobuttonChoice(td, \"5000\", \"qmmldemo_traindata_radio\", \"5k\", false);",
+                    "        ",
                     "        break;",
-                    "      case \"2\":",
+                    "",
+                    "      case \"3\":  //  Sci Data 2014",
+                    "        dsd.innerHTML = '   R.&nbsp;Ramakrishnan <i>et&nbsp;al</i>, Sci. Data 1: 140022, 2014  <a href=\"http://dx.doi.org/10.1038/sdata.2014.22\">DOI</a>';",
+                    "",
+                    "        addDropdownChoice(p, \"1\", \"atomization energy\");",
+                    "        ",
                     "        addRadiobuttonChoice(td,  \"1000\", \"qmmldemo_traindata_radio\",  \"1k\", true );",
                     "        addRadiobuttonChoice(td,  \"3000\", \"qmmldemo_traindata_radio\",  \"2k\", false);",
                     "        addRadiobuttonChoice(td,  \"5000\", \"qmmldemo_traindata_radio\",  \"5k\", false);",
                     "        addRadiobuttonChoice(td, \"10000\", \"qmmldemo_traindata_radio\", \"10k\", false);",
+                    "",
                     "        break;",
-                    "      case \"3\":",
-                    "        addRadiobuttonChoice(td, \"1000\", \"qmmldemo_traindata_radio\", \"1k\", true );",
-                    "        addRadiobuttonChoice(td, \"3000\", \"qmmldemo_traindata_radio\", \"2k\", false);",
-                    "        addRadiobuttonChoice(td, \"5000\", \"qmmldemo_traindata_radio\", \"5k\", false);",
-                    "        break;",
-                    "      case \"4\":",
+                    "        ",
+                    "      case \"4\":  // Sci Data 2014",
+                    "        dsd.innerHTML = '   R.&nbsp;Ramakrishnan <i>et&nbsp;al</i>, Sci. Data 1: 140022, 2014  <a href=\"http://dx.doi.org/10.1038/sdata.2014.22\">DOI</a>';",
+                    "",
+                    "        addDropdownChoice(p, \"1\", \"zero point vibrational energy (G4MP2)\");",
+                    "        addDropdownChoice(p, \"2\", \"internal energy @ 0 K (G4MP2)\");",
+                    "        addDropdownChoice(p, \"3\", \"internal energy @ 298.15 K (G4MP2)\");",
+                    "        addDropdownChoice(p, \"4\", \"enthalpy @ 298.15 K (G4MP2)\");",
+                    "        addDropdownChoice(p, \"5\", \"free energy @ 298.15 K (G4MP2)\");",
+                    "        addDropdownChoice(p, \"6\", \"heat capacity @ 298.15 K (DFT/B3LYP)\");",
+                    "",
                     "        addRadiobuttonChoice(td, \"1000\", \"qmmldemo_traindata_radio\", \"1k\", true );",
                     "        addRadiobuttonChoice(td, \"3000\", \"qmmldemo_traindata_radio\", \"2k\", false);",
                     "        addRadiobuttonChoice(td, \"5000\", \"qmmldemo_traindata_radio\", \"5k\", false);",
+                    "",
                     "        break;",
                     "    }",
-                    "  } ",
+                    "  }",
+                    "",
+                    "  function qmmlUpdateProperty() {",
+                    "    var ds  = document.getElementById(\"qmmldemo_dataset\").value;",
+                    "    var p   = document.getElementById(\"qmmldemo_property\").value;",
+                    "    var pd  = document.getElementById(\"qmmldemo_property_description\");",
+                    "",
+                    "    switch(ds) {",
+                    "      case \"1\": switch(p) {",
+                    "        case \"1\": pd.innerHTML = '   atomization energy, DFT/PBE0'; break;",
+                    "      }; break;",
+                    "      case \"2\": switch(p) {",
+                    "        case \"1\": pd.innerHTML = '   atomization energy, DFT/PBE0'; break;",
+                    "        case \"2\": pd.innerHTML = '   averaged static polarizability, DFT/PBE0'; break;",
+                    "        case \"3\": pd.innerHTML = '   highest occupied molecular orbital, DFT/PBE0'; break;",
+                    "        case \"4\": pd.innerHTML = '   highest occupied molecular orbital, GW'; break; ",
+                    "        case \"5\": pd.innerHTML = '   lowest unoccupied molecular orbital, DFT/PBE0'; break; ",
+                    "        case \"6\": pd.innerHTML = '   lowest unoccupied molecular orbital, GW'; break; ",
+                    "      }; break;",
+                    "      case \"3\": switch(p) {",
+                    "        case \"1\": pd.innerHTML = '   atomization energy, DFT/B3LYP/6-31G(2df,p)'; break;",
+                    "      }; break;",
+                    "      case \"4\": switch(p) {",
+                    "        case \"1\": pd.innerHTML = '   zero point vibrational energy, G4MP2'; break;",
+                    "        case \"2\": pd.innerHTML = '   internal energy at 0 K, G4MP2'; break;",
+                    "        case \"3\": pd.innerHTML = '   internal energy at 298.15 K, G4MP2'; break;",
+                    "        case \"4\": pd.innerHTML = '   enthalpy at 298.15 K, G4MP2'; break;",
+                    "        case \"5\": pd.innerHTML = '   free energy at 298.15 K, G4MP2'; break;",
+                    "        case \"6\": pd.innerHTML = '   heat capacity at 298.15 K, DFT/B3LYP'; break;",
+                    "      }; break;",
+                    "    }",
+                    "  }",
+                    "",
+                    "  function qmmlUpdateRepresentation() {",
+                    "    var r   = document.getElementById(\"qmmldemo_representation\").value;",
+                    "    var rd  = document.getElementById(\"qmmldemo_representation_description\");",
+                    "    switch(r) {",
+                    "      case \"1\": rd.innerHTML = '   M.&nbsp;Rupp <i>et&nbsp;al</i>, Phys. Rev. Lett. 108(5): 058301, 2012  <a href=\"http://dx.doi.org/10.1103/PhysRevLett.108.058301\">DOI</a>'; break;",
+                    "      case \"2\": rd.innerHTML = '   M.&nbsp;Rupp <i>et&nbsp;al</i>, Phys. Rev. Lett. 108(5): 058301, 2012  <a href=\"http://dx.doi.org/10.1103/PhysRevLett.108.058301\">DOI</a>'; break;",
+                    "      case \"3\": rd.innerHTML = '   K.&nbsp;Hansen <i>et&nbsp;al</i>, J. Phys. Chem. Lett. 6: 2326, 2015  <a href=\"http://dx.doi.org/10.1021/acs.jpclett.5b00831\">DOI</a>'; break;",
+                    "    }",
+                    "  }",
+                    "  ",
+                    "  function qmmlUpdateKernel() {",
+                    "    var k  = document.getElementById(\"qmmldemo_kernel\").value;",
+                    "    var kd = document.getElementById(\"qmmldemo_kernel_description\");",
+                    "    switch(k) {",
+                    "      case \"1\": kd.innerHTML = \"   linear basis functions, no free parameters\"; break;",
+                    "      case \"2\": kd.innerHTML = \"   Gaussian basis functions, length scale free parameter\"; break;",
+                    "      case \"3\": kd.innerHTML = \"   exponential basis functions, length scale free parameter\"; break;",
+                    "    }",
+                    "  }",
                     "  ",
                     "  function trainAndPredict() {",
                     "    beaker.ctrl_ds   = document.getElementById(\"qmmldemo_dataset\").value;",
@@ -233,45 +301,45 @@
                     "    <tr><th>Dataset:</th>",
                     "      <td>",
                     "        <select id=\"qmmldemo_dataset\" onchange=\"qmmlUpdateForm()\">",
-                    "          <option value=\"1\">7k small organic molecules</option>",
-                    "          <option value=\"2\">134k small organic molecules</option>",
-                    "          <option value=\"3\">6k C7H20O2 isomers</option>",
-                    "          <option value=\"4\">14k organic molecules</option>",
+                    "          <option value=\"1\" selected>7k small organic molecules (GDB7-12)</option>",
+                    "          <option value=\"2\">7k small organic molecules (GDB7-13)</option>",
+                    "          <!-- <option value=\"3\">134k small organic molecules (GDB9-14)</option> -->",
+                    "          <option value=\"4\">6k C7H20O2 isomers (GDB9-14)</option>",
                     "        </select>",
                     "      </td>",
-                    "      <td></td>",
+                    "      <td id=\"qmmldemo_dataset_description\" style=\"white-space: pre;\"></td>",
                     "    </tr>",
                     "    ",
                     "    <tr>",
                     "      <th>Property:</th>",
-                    "      <td><select id=\"qmmldemo_property\"><!-- content inserted programmatically --></select></td>",
-                    "      <td></td>",
+                    "      <td><select id=\"qmmldemo_property\" onchange=\"qmmlUpdateProperty()\"><!-- content inserted programmatically --></select></td>",
+                    "      <td id=\"qmmldemo_property_description\" style=\"white-space: pre;\"></td>",
                     "    </tr>",
                     "    ",
                     "    <tr>",
                     "      <th>Representation:</th>",
-                    "      <td><select id=\"qmmldemo_representation\">",
+                    "      <td><select id=\"qmmldemo_representation\" onchange=\"qmmlUpdateRepresentation()\">",
                     "        <option value=\"1\">sorted Coulomb matrix</option>",
                     "        <option value=\"2\">diagonalized Coulomb matrix</option>",
-                    "        <option value=\"3\">bag of bonds</option>",
+                    "        <!-- <option value=\"3\">bag of bonds</option> -->",
                     "       </select></td>",
-                    "      <td></td>",
+                    "      <td id=\"qmmldemo_representation_description\" style=\"white-space: pre;\"></td>",
                     "    </tr>",
                     "    ",
                     "    <tr>",
                     "      <th>Kernel:</th>",
-                    "      <td><select id=\"qmmldemo_kernel\">",
+                    "      <td><select id=\"qmmldemo_kernel\" onchange=\"qmmlUpdateKernel()\">",
                     "        <option value=\"1\">linear kernel</option>",
                     "        <option value=\"2\">Gaussian kernel</option>",
                     "        <option value=\"3\">Laplacian kernel</option>         ",
                     "      </select></td>",
-                    "      <td></td>",
+                    "      <td id=\"qmmldemo_kernel_description\" style=\"white-space: pre;\"></td>",
                     "    </tr>",
                     "    ",
                     "    <tr>",
                     "      <th>Training data:</th>",
                     "      <td><form id=\"qmmldemo_traindata\"><!-- content inserted programmatically --></form></td>",
-                    "      <td></td>",
+                    "      <td style=\"white-space: pre;\">   number of training examples</td>",
                     "    </tr>",
                     "  </table>",
                     "  ",
@@ -280,6 +348,9 @@
                     "",
                     "<script>",
                     "  qmmlUpdateForm()  // initialize the controls",
+                    "  qmmlUpdateProperty()",
+                    "  qmmlUpdateRepresentation() ",
+                    "  qmmlUpdateKernel()",
                     "</script>",
                     ""
                 ],
@@ -288,16 +359,16 @@
             "output": {
                 "state": {},
                 "selectedType": "BeakerDisplay",
-                "height": 358,
+                "height": 361,
                 "result": {
                     "type": "BeakerDisplay",
                     "innertype": "Html",
-                    "object": "<script>\nvar beaker = bkHelper.getBeakerObject().beakerObj;\n</script>\n<!-- Header -->\n\n<div style=\"font-size: 250%; font-weight: bold;\">Accurate predictions of molecular properties</div>\n\n<div style=\"font-size: 150%; margin-bottom: 1em;\">A <a href=\"https://nomad-coe.eu/\">NOMAD</a> demonstration by <a href=\"http://mrupp.info/\">Matthias Rupp</a>, 2016.</div>\n\n<div style=\"max-width: 600px;\">Machine learning can be used to rapidly and accurately predict outcomes of electronic structure calculations.\nThis allows to screen large databases of materials, run long simulations, calculate big systems, and increase accuracy of calculations.\nGains in terms of compute time often exceed an order of magnitude.</div>\n\n<div style=\"height: 3em;\"></div>\n\n<script>\n  // Adds an option to a dropdown menu\n  function addDropdownChoice(dropdown, value, content) {\n    var el = document.createElement('option');\n    el.value = value;\n    el.innerHTML = content\n    dropdown.appendChild(el);\n  }\n  \n  // Adds an option to a radiobutton selector\n  function addRadiobuttonChoice(radiobutton, value, name, content, checked) {\n    var el = document.createElement('input');\n    el.type = \"radio\";\n    el.value = value;\n    el.name = name;\n    if(checked) { el.checked = \"checked\" }\n\n    var label = document.createElement('label');\n    label.innerHTML = content; label.innerHTML += ' ';\n    label.appendChild(el);\n\n    radiobutton.appendChild(label);\n  }\n  \n  function qmmlUpdateForm() {\n    var ds = document.getElementById(\"qmmldemo_dataset\").value;\n\n    // update property\n    var p = document.getElementById(\"qmmldemo_property\");\n    p.innerHTML = ''\n    switch(ds) {\n      case \"1\": \n        addDropdownChoice(p, \"1\", \"atomization energy\");\n        break;\n      case \"2\":\n        addDropdownChoice(p, \"1\", \"atomization energy\");\n        break;\n      case \"3\":\n        addDropdownChoice(p, \"1\", \"atomization energy\");\n        break;\n      case \"4\":\n        addDropdownChoice(p, \"1\", \"atomization energy\");\n        break;\n    }\n    \n    // update training data\n    var td = document.getElementById(\"qmmldemo_traindata\");\n    td.innerHTML = ''\n    switch(ds) {\n      case \"1\":\n        addRadiobuttonChoice(td, \"1000\", \"qmmldemo_traindata_radio\", \"1k\", true );\n        addRadiobuttonChoice(td, \"3000\", \"qmmldemo_traindata_radio\", \"2k\", false);\n        addRadiobuttonChoice(td, \"5000\", \"qmmldemo_traindata_radio\", \"5k\", false);\n        break;\n      case \"2\":\n        addRadiobuttonChoice(td,  \"1000\", \"qmmldemo_traindata_radio\",  \"1k\", true );\n        addRadiobuttonChoice(td,  \"3000\", \"qmmldemo_traindata_radio\",  \"2k\", false);\n        addRadiobuttonChoice(td,  \"5000\", \"qmmldemo_traindata_radio\",  \"5k\", false);\n        addRadiobuttonChoice(td, \"10000\", \"qmmldemo_traindata_radio\", \"10k\", false);\n        break;\n      case \"3\":\n        addRadiobuttonChoice(td, \"1000\", \"qmmldemo_traindata_radio\", \"1k\", true );\n        addRadiobuttonChoice(td, \"3000\", \"qmmldemo_traindata_radio\", \"2k\", false);\n        addRadiobuttonChoice(td, \"5000\", \"qmmldemo_traindata_radio\", \"5k\", false);\n        break;\n      case \"4\":\n        addRadiobuttonChoice(td, \"1000\", \"qmmldemo_traindata_radio\", \"1k\", true );\n        addRadiobuttonChoice(td, \"3000\", \"qmmldemo_traindata_radio\", \"2k\", false);\n        addRadiobuttonChoice(td, \"5000\", \"qmmldemo_traindata_radio\", \"5k\", false);\n        break;\n    }\n  } \n  \n  function trainAndPredict() {\n    beaker.ctrl_ds   = document.getElementById(\"qmmldemo_dataset\").value;\n    beaker.ctrl_pty  = document.getElementById(\"qmmldemo_property\").value;\n    beaker.ctrl_repr = document.getElementById(\"qmmldemo_representation\").value;\n    beaker.ctrl_k    = document.getElementById(\"qmmldemo_kernel\").value;\n    beaker.ctrl_n    = document.querySelector('input[name=\"qmmldemo_traindata_radio\"]:checked').value;\n    beaker.evaluate(\"trainAndPredictCell\");\n  }\n</script>\n\n<style type=\"text/css\">\n  \n  .qmmldemo_table th { font-weight: bold; padding-right: 2ex; }\n  .qmmldemo_table td input { margin-right: 1ex; }\n  \n</style>\n\n<!-- Controls area -->\n\n<div class=\"qmmldemo_control\">\n  <table class=\"qmmldemo_table\">\n    \n    <tbody><tr><th>Dataset:</th>\n      <td>\n        <select id=\"qmmldemo_dataset\" onchange=\"qmmlUpdateForm()\">\n          <option value=\"1\">7k small organic molecules</option>\n          <option value=\"2\">134k small organic molecules</option>\n          <option value=\"3\">6k C7H20O2 isomers</option>\n          <option value=\"4\">14k organic molecules</option>\n        </select>\n      </td>\n      <td></td>\n    </tr>\n    \n    <tr>\n      <th>Property:</th>\n      <td><select id=\"qmmldemo_property\"><option value=\"1\">atomization energy</option></select></td>\n      <td></td>\n    </tr>\n    \n    <tr>\n      <th>Representation:</th>\n      <td><select id=\"qmmldemo_representation\">\n        <option value=\"1\">sorted Coulomb matrix</option>\n        <option value=\"2\">diagonalized Coulomb matrix</option>\n        <option value=\"3\">bag of bonds</option>\n       </select></td>\n      <td></td>\n    </tr>\n    \n    <tr>\n      <th>Kernel:</th>\n      <td><select id=\"qmmldemo_kernel\">\n        <option value=\"1\">linear kernel</option>\n        <option value=\"2\">Gaussian kernel</option>\n        <option value=\"3\">Laplacian kernel</option>         \n      </select></td>\n      <td></td>\n    </tr>\n    \n    <tr>\n      <th>Training data:</th>\n      <td><form id=\"qmmldemo_traindata\"><label>1k <input name=\"qmmldemo_traindata_radio\" value=\"1000\" type=\"radio\"></label><label>2k <input name=\"qmmldemo_traindata_radio\" value=\"3000\" type=\"radio\"></label><label>5k <input name=\"qmmldemo_traindata_radio\" value=\"5000\" type=\"radio\"></label></form></td>\n      <td></td>\n    </tr>\n  </tbody></table>\n  \n  <button type=\"button\" class=\"btn btn-primary\" style=\"margin-top: 2ex;\" onclick=\"trainAndPredict();\">Build model!</button>\n</div>\n\n<script>\n  qmmlUpdateForm()  // initialize the controls\n</script>\n"
+                    "object": "<script>\nvar beaker = bkHelper.getBeakerObject().beakerObj;\n</script>\n<!-- Header -->\n\n<div style=\"font-size: 250%; font-weight: bold;\">Accurate predictions of molecular properties</div>\n\n<div style=\"font-size: 150%; margin-bottom: 1em;\">A <a href=\"https://nomad-coe.eu/\">NOMAD</a> demonstration by <a href=\"http://mrupp.info/\">Matthias Rupp</a>, 2016.</div>\n\n<div style=\"max-width: 600px;\">Machine learning can be used to rapidly and accurately predict outcomes of electronic structure calculations.\nThis allows to screen large databases of materials, run long simulations, calculate big systems, and increase accuracy of calculations.\nGains in terms of compute time often exceed an order of magnitude.</div>\n\n<div style=\"height: 3em;\"></div>\n\n<script>\n  // Adds an option to a dropdown menu\n  function addDropdownChoice(dropdown, value, content) {\n    var el = document.createElement('option');\n    el.value = value;\n    el.innerHTML = content\n    dropdown.appendChild(el);\n  }\n  \n  // Adds an option to a radiobutton selector\n  function addRadiobuttonChoice(radiobutton, value, name, content, checked) {\n    var el = document.createElement('input');\n    el.type = \"radio\";\n    el.value = value;\n    el.name = name;\n    if(checked) { el.checked = \"checked\" }\n\n    var label = document.createElement('label');\n    label.innerHTML = content; label.innerHTML += ' ';\n    label.appendChild(el);\n\n    radiobutton.appendChild(label);\n  }\n  \n  function qmmlUpdateForm() {\n    var ds = document.getElementById(\"qmmldemo_dataset\").value;\n    \n    var dsd = document.getElementById(\"qmmldemo_dataset_description\");\n    var p   = document.getElementById(\"qmmldemo_property\"); p.innerHTML = '';\n    var td  = document.getElementById(\"qmmldemo_traindata\"); td.innerHTML = '';\n\n    switch(ds) {\n      case \"1\":  // PRL 2012\n        dsd.innerHTML = '   M.&nbsp;Rupp <i>et&nbsp;al</i>, Phys. Rev. Lett. 108(5): 058301, 2012  <a href=\"http://dx.doi.org/10.1103/PhysRevLett.108.058301\">DOI</a>';\n\n        addDropdownChoice(p, \"1\", \"atomization energy (DFT/PBE0)\");\n\n        addRadiobuttonChoice(td, \"1000\", \"qmmldemo_traindata_radio\", \"1k\", true );\n        addRadiobuttonChoice(td, \"3000\", \"qmmldemo_traindata_radio\", \"2k\", false);\n        addRadiobuttonChoice(td, \"5000\", \"qmmldemo_traindata_radio\", \"5k\", false);\n        \n        break;\n        \n      case \"2\":  // New J Phys 2013\n        dsd.innerHTML = '   G.&nbsp;Montavon <i>et&nbsp;al</i>, New J. Phys. 15(9): 095003, 2013  <a href=\"http://dx.doi.org/10.1088/1367-2630/15/9/095003\">DOI</a>';\n        \n        addDropdownChoice(p, \"1\", \"atomization energy (DFT/PBE0)\");\n        addDropdownChoice(p, \"2\", \"static polarizability (DFT/PBE0)\");\n        addDropdownChoice(p, \"3\", \"HOMO (DFT/PBE0)\");\n        addDropdownChoice(p, \"4\", \"HOMO (GW)\");\n        addDropdownChoice(p, \"5\", \"LUMO (DFT/PBE0)\");\n        addDropdownChoice(p, \"6\", \"LUMO (GW)\");\n\n        addRadiobuttonChoice(td, \"1000\", \"qmmldemo_traindata_radio\", \"1k\", true );\n        addRadiobuttonChoice(td, \"3000\", \"qmmldemo_traindata_radio\", \"2k\", false);\n        addRadiobuttonChoice(td, \"5000\", \"qmmldemo_traindata_radio\", \"5k\", false);\n        \n        break;\n\n      case \"3\":  //  Sci Data 2014\n        dsd.innerHTML = '   R.&nbsp;Ramakrishnan <i>et&nbsp;al</i>, Sci. Data 1: 140022, 2014  <a href=\"http://dx.doi.org/10.1038/sdata.2014.22\">DOI</a>';\n\n        addDropdownChoice(p, \"1\", \"atomization energy\");\n        \n        addRadiobuttonChoice(td,  \"1000\", \"qmmldemo_traindata_radio\",  \"1k\", true );\n        addRadiobuttonChoice(td,  \"3000\", \"qmmldemo_traindata_radio\",  \"2k\", false);\n        addRadiobuttonChoice(td,  \"5000\", \"qmmldemo_traindata_radio\",  \"5k\", false);\n        addRadiobuttonChoice(td, \"10000\", \"qmmldemo_traindata_radio\", \"10k\", false);\n\n        break;\n        \n      case \"4\":  // Sci Data 2014\n        dsd.innerHTML = '   R.&nbsp;Ramakrishnan <i>et&nbsp;al</i>, Sci. Data 1: 140022, 2014  <a href=\"http://dx.doi.org/10.1038/sdata.2014.22\">DOI</a>';\n\n        addDropdownChoice(p, \"1\", \"zero point vibrational energy (G4MP2)\");\n        addDropdownChoice(p, \"2\", \"internal energy @ 0 K (G4MP2)\");\n        addDropdownChoice(p, \"3\", \"internal energy @ 298.15 K (G4MP2)\");\n        addDropdownChoice(p, \"4\", \"enthalpy @ 298.15 K (G4MP2)\");\n        addDropdownChoice(p, \"5\", \"free energy @ 298.15 K (G4MP2)\");\n        addDropdownChoice(p, \"6\", \"heat capacity @ 298.15 K (DFT/B3LYP)\");\n\n        addRadiobuttonChoice(td, \"1000\", \"qmmldemo_traindata_radio\", \"1k\", true );\n        addRadiobuttonChoice(td, \"3000\", \"qmmldemo_traindata_radio\", \"2k\", false);\n        addRadiobuttonChoice(td, \"5000\", \"qmmldemo_traindata_radio\", \"5k\", false);\n\n        break;\n    }\n  }\n\n  function qmmlUpdateProperty() {\n    var ds  = document.getElementById(\"qmmldemo_dataset\").value;\n    var p   = document.getElementById(\"qmmldemo_property\").value;\n    var pd  = document.getElementById(\"qmmldemo_property_description\");\n\n    switch(ds) {\n      case \"1\": switch(p) {\n        case \"1\": pd.innerHTML = '   atomization energy, DFT/PBE0'; break;\n      }; break;\n      case \"2\": switch(p) {\n        case \"1\": pd.innerHTML = '   atomization energy, DFT/PBE0'; break;\n        case \"2\": pd.innerHTML = '   averaged static polarizability, DFT/PBE0'; break;\n        case \"3\": pd.innerHTML = '   highest occupied molecular orbital, DFT/PBE0'; break;\n        case \"4\": pd.innerHTML = '   highest occupied molecular orbital, GW'; break; \n        case \"5\": pd.innerHTML = '   lowest unoccupied molecular orbital, DFT/PBE0'; break; \n        case \"6\": pd.innerHTML = '   lowest unoccupied molecular orbital, GW'; break; \n      }; break;\n      case \"3\": switch(p) {\n        case \"1\": pd.innerHTML = '   atomization energy, DFT/B3LYP/6-31G(2df,p)'; break;\n      }; break;\n      case \"4\": switch(p) {\n        case \"1\": pd.innerHTML = '   zero point vibrational energy, G4MP2'; break;\n        case \"2\": pd.innerHTML = '   internal energy at 0 K, G4MP2'; break;\n        case \"3\": pd.innerHTML = '   internal energy at 298.15 K, G4MP2'; break;\n        case \"4\": pd.innerHTML = '   enthalpy at 298.15 K, G4MP2'; break;\n        case \"5\": pd.innerHTML = '   free energy at 298.15 K, G4MP2'; break;\n        case \"6\": pd.innerHTML = '   heat capacity at 298.15 K, DFT/B3LYP'; break;\n      }; break;\n    }\n  }\n\n  function qmmlUpdateRepresentation() {\n    var r   = document.getElementById(\"qmmldemo_representation\").value;\n    var rd  = document.getElementById(\"qmmldemo_representation_description\");\n    switch(r) {\n      case \"1\": rd.innerHTML = '   M.&nbsp;Rupp <i>et&nbsp;al</i>, Phys. Rev. Lett. 108(5): 058301, 2012  <a href=\"http://dx.doi.org/10.1103/PhysRevLett.108.058301\">DOI</a>'; break;\n      case \"2\": rd.innerHTML = '   M.&nbsp;Rupp <i>et&nbsp;al</i>, Phys. Rev. Lett. 108(5): 058301, 2012  <a href=\"http://dx.doi.org/10.1103/PhysRevLett.108.058301\">DOI</a>'; break;\n      case \"3\": rd.innerHTML = '   K.&nbsp;Hansen <i>et&nbsp;al</i>, J. Phys. Chem. Lett. 6: 2326, 2015  <a href=\"http://dx.doi.org/10.1021/acs.jpclett.5b00831\">DOI</a>'; break;\n    }\n  }\n  \n  function qmmlUpdateKernel() {\n    var k  = document.getElementById(\"qmmldemo_kernel\").value;\n    var kd = document.getElementById(\"qmmldemo_kernel_description\");\n    switch(k) {\n      case \"1\": kd.innerHTML = \"   linear basis functions, no free parameters\"; break;\n      case \"2\": kd.innerHTML = \"   Gaussian basis functions, length scale free parameter\"; break;\n      case \"3\": kd.innerHTML = \"   exponential basis functions, length scale free parameter\"; break;\n    }\n  }\n  \n  function trainAndPredict() {\n    beaker.ctrl_ds   = document.getElementById(\"qmmldemo_dataset\").value;\n    beaker.ctrl_pty  = document.getElementById(\"qmmldemo_property\").value;\n    beaker.ctrl_repr = document.getElementById(\"qmmldemo_representation\").value;\n    beaker.ctrl_k    = document.getElementById(\"qmmldemo_kernel\").value;\n    beaker.ctrl_n    = document.querySelector('input[name=\"qmmldemo_traindata_radio\"]:checked').value;\n    beaker.evaluate(\"trainAndPredictCell\");\n  }\n</script>\n\n<style type=\"text/css\">\n  \n  .qmmldemo_table th { font-weight: bold; padding-right: 2ex; }\n  .qmmldemo_table td input { margin-right: 1ex; }\n  \n</style>\n\n<!-- Controls area -->\n\n<div class=\"qmmldemo_control\">\n  <table class=\"qmmldemo_table\">\n    \n    <tbody><tr><th>Dataset:</th>\n      <td>\n        <select id=\"qmmldemo_dataset\" onchange=\"qmmlUpdateForm()\">\n          <option value=\"1\" selected=\"\">7k small organic molecules (GDB7-12)</option>\n          <option value=\"2\">7k small organic molecules (GDB7-13)</option>\n          <!-- <option value=\"3\">134k small organic molecules (GDB9-14)</option> -->\n          <option value=\"4\">6k C7H20O2 isomers (GDB9-14)</option>\n        </select>\n      </td>\n      <td id=\"qmmldemo_dataset_description\" style=\"white-space: pre;\">   M.&nbsp;Rupp <i>et&nbsp;al</i>, Phys. Rev. Lett. 108(5): 058301, 2012  <a href=\"http://dx.doi.org/10.1103/PhysRevLett.108.058301\">DOI</a></td>\n    </tr>\n    \n    <tr>\n      <th>Property:</th>\n      <td><select id=\"qmmldemo_property\" onchange=\"qmmlUpdateProperty()\"><option value=\"1\">atomization energy (DFT/PBE0)</option></select></td>\n      <td id=\"qmmldemo_property_description\" style=\"white-space: pre;\">   atomization energy, DFT/PBE0</td>\n    </tr>\n    \n    <tr>\n      <th>Representation:</th>\n      <td><select id=\"qmmldemo_representation\" onchange=\"qmmlUpdateRepresentation()\">\n        <option value=\"1\">sorted Coulomb matrix</option>\n        <option value=\"2\">diagonalized Coulomb matrix</option>\n        <!-- <option value=\"3\">bag of bonds</option> -->\n       </select></td>\n      <td id=\"qmmldemo_representation_description\" style=\"white-space: pre;\">   M.&nbsp;Rupp <i>et&nbsp;al</i>, Phys. Rev. Lett. 108(5): 058301, 2012  <a href=\"http://dx.doi.org/10.1103/PhysRevLett.108.058301\">DOI</a></td>\n    </tr>\n    \n    <tr>\n      <th>Kernel:</th>\n      <td><select id=\"qmmldemo_kernel\" onchange=\"qmmlUpdateKernel()\">\n        <option value=\"1\">linear kernel</option>\n        <option value=\"2\">Gaussian kernel</option>\n        <option value=\"3\">Laplacian kernel</option>         \n      </select></td>\n      <td id=\"qmmldemo_kernel_description\" style=\"white-space: pre;\">   linear basis functions, no free parameters</td>\n    </tr>\n    \n    <tr>\n      <th>Training data:</th>\n      <td><form id=\"qmmldemo_traindata\"><label>1k <input name=\"qmmldemo_traindata_radio\" value=\"1000\" type=\"radio\"></label><label>2k <input name=\"qmmldemo_traindata_radio\" value=\"3000\" type=\"radio\"></label><label>5k <input name=\"qmmldemo_traindata_radio\" value=\"5000\" type=\"radio\"></label></form></td>\n      <td style=\"white-space: pre;\">   number of training examples</td>\n    </tr>\n  </tbody></table>\n  \n  <button type=\"button\" class=\"btn btn-primary\" style=\"margin-top: 2ex;\" onclick=\"trainAndPredict();\">Build model!</button>\n</div>\n\n<script>\n  qmmlUpdateForm()  // initialize the controls\n  qmmlUpdateProperty()\n  qmmlUpdateRepresentation() \n  qmmlUpdateKernel()\n</script>\n"
                 },
                 "elapsedTime": 0
             },
             "evaluatorReader": true,
-            "lineCount": 159
+            "lineCount": 229
         },
         {
             "id": "codeXddhXF",
@@ -307,14 +378,18 @@
                 "body": [
                     "# Trains GPR model, predicts remaining data, displays results",
                     "",
-                    "#  #############################################",
-                    "#  #  Subroutine: Train a model, predict data  #",
-                    "#  #############################################",
-                    "",
-                    "def trainAndPredict():",
-                    "    \"\"\"Trains a model with given hyperparameters on one set of data, then predicts another set of data.\"\"\"",
-                    "    pass",
+                    "# Workaround for broken beaker notebook (progress update not working with Python)",
+                    "def info(msg, indent=0):",
+                    "    \"\"\"Prints informative message.\"\"\"",
+                    "    global last_output_time, output_message",
+                    "    if time.perf_counter() - last_output_time > 2:",
+                    "        last_output_time = time.perf_counter()",
+                    "        IPython.display.display(IPython.display.HTML(output_message))",
+                    "        time.sleep(0.1)",
+                    "    else:",
+                    "        output_message += msg + '<br/>\\n'",
                     "",
+                    "last_output_time, output_message = time.perf_counter(), ''",
                     "",
                     "start_time = Timer()",
                     "",
@@ -324,9 +399,32 @@
                     "",
                     "# Dataset and dependent settings property and training set size",
                     "if beaker.ctrl_ds == \"1\":  # PRL 2012",
-                    "    dataset_filename = os.path.expanduser('~') + \"/Data/Projects/2016-NomadDemo/datasets/dsgdb7ae.xyz\"",
+                    "    dataset_filename = os.path.expanduser('~') + \"/test/QMML/dsgdb7ae.xyz\"",
+                    "    dataset_additional_properties = True",
+                    "    (dataset_property_index, dataset_property_name, dataset_property_unitname, dataset_property_unitconv, dataset_rounding) = switch(beaker.ctrl_pty, ",
+                    "        \"1\", (0, \"atomization energy\", \"kcal/mol\", 1, 1))",
+                    "    ntrain = int(beaker.ctrl_n)",
+                    "elif beaker.ctrl_ds == \"2\": # New J Phys 2013",
+                    "    dataset_filename = os.path.expanduser('~') + \"/test/QMML/dsgdb7njp.xyz\"",
                     "    dataset_additional_properties = True",
-                    "    (dataset_property_index, dataset_property_name, dataset_property_unitname) = switch(beaker.ctrl_pty, \"1\", (0, \"atomization energy\", \"kcal/mol\"))",
+                    "    (dataset_property_index, dataset_property_name, dataset_property_unitname, dataset_property_unitconv, dataset_rounding) = switch(beaker.ctrl_pty, ",
+                    "        \"1\", (0, \"atomization energy\", \"kcal/mol\", 1, 1), ",
+                    "        \"2\", (1, \"polarizability\", \"Ã…^3\", 1, 2), ",
+                    "        \"3\", (4, \"HOMO (PBE0)\", \"eV\", 1, 2), ",
+                    "        \"4\", (3, \"HOMO (GW)\", \"eV\", 1, 2), ",
+                    "        \"5\", (7, \"LUMO (PBE0)\", \"eV\", 1, 2), ",
+                    "        \"6\", (6, \"LUMO (GW)\", \"eV\", 1, 2))",
+                    "    ntrain = int(beaker.ctrl_n)",
+                    "elif beaker.ctrl_ds == \"4\": # GDB9-14 C7O2H10 isomers",
+                    "    dataset_filename = os.path.expanduser('~') + \"/test/QMML/dsC7O2H10nsd.xyz\"",
+                    "    dataset_additional_properties = False",
+                    "    (dataset_property_index, dataset_property_name, dataset_property_unitname, dataset_property_unitconv, dataset_rounding) = switch(beaker.ctrl_pty, ",
+                    "        \"1\", (11, \"zero point vibrational energy\", \"kcal/mol\", 627.509474277194, 1), ",
+                    "        \"2\", (12, \"internal energy @ 0K\", \"kcal/mol\", 627.509474277194, 1), ",
+                    "        \"3\", (13, \"internal energy @ 298.15K\", \"kcal/mol\", 627.509474277194, 1), ",
+                    "        \"4\", (14, \"enthalpy @ 2981.15K\", \"kcal/mol\", 627.509474277194, 1), ",
+                    "        \"5\", (15, \"free energy @ 298.15 K\", \"kcal/mol\", 627.509474277194, 1), ",
+                    "        \"6\", (16, \"heat capacity @ 298.15 K\", \"cal/(mol K)\", 1, 2))",
                     "    ntrain = int(beaker.ctrl_n)",
                     "else:",
                     "    error(\"This dataset not implemented yet.\")",
@@ -337,7 +435,7 @@
                     "dataset_raw = qmml.import_extxyz(dataset_filename, additional_properties=dataset_additional_properties)",
                     "z = [m.an  for m in dataset_raw]  # atomic numbers",
                     "r = [m.xyz for m in dataset_raw]  # atomic coordinates",
-                    "y = np.asarray( [m.mp[dataset_property_index] for m in dataset_raw], dtype=np.float_ )  # property",
+                    "y = np.asarray( [m.mp[dataset_property_index] for m in dataset_raw], dtype=np.float_ ) * dataset_property_unitconv  # property",
                     "assert len(z) == len(r) == len(y)",
                     "info(\"Done ({}).\\n\".format(_t()))",
                     "",
@@ -351,14 +449,15 @@
                     "# Representation",
                     "max_atoms = max([len(zi) for zi in z])  # maximum number of atoms per molecule",
                     "reprf = switch(beaker.ctrl_repr, ",
-                    "    \"1\", lambda z, r: qmml.coulomb_matrix(z, r, padding=max_atoms, flatten=True, sort=True)",
+                    "    \"1\", lambda z, r: qmml.coulomb_matrix(z, r, padding=max_atoms, flatten=True, sort=True),",
+                    "    \"2\", lambda z, r: np.linalg.eigvalsh(qmml.coulomb_matrix(z, r, padding=max_atoms, flatten=False, sort=False))",
                     ")",
                     "",
                     "# Kernel",
-                    "(kernelf, centering) = switch(beaker.ctrl_k,",
-                    "    \"1\", (qmml.kernel_linear, True),",
-                    "    \"2\", (qmml.kernel_gaussian, False),",
-                    "    \"3\", (qmml.kernel_laplacian, False) )",
+                    "(kernelf, centering, has_hp) = switch(beaker.ctrl_k,",
+                    "    \"1\", (qmml.kernel_linear, True, False),",
+                    "    \"2\", (qmml.kernel_gaussian, False, True),",
+                    "    \"3\", (qmml.kernel_laplacian, False, True) )",
                     "",
                     "#  #########################################",
                     "#  #  Set up training and validation sets  #",
@@ -378,9 +477,9 @@
                     "",
                     "_t = Timer()",
                     "info(\"Computing representation for training data...\")",
-                    "repr_train = [reprf(zi, ri) for (zi,ri) in zip([z[i] for i in ind_train], [r[i] for i in ind_train])]",
+                    "repr_train = np.asarray( [reprf(zi, ri) for (zi,ri) in zip([z[i] for i in ind_train], [r[i] for i in ind_train])] )",
                     "info(\"Computing representation for predicted data...\")",
-                    "repr_pred  = [reprf(zi, ri) for (zi,ri) in zip([z[i] for i in ind_pred ], [r[i] for i in ind_pred ])]",
+                    "repr_pred  = np.asarray( [reprf(zi, ri) for (zi,ri) in zip([z[i] for i in ind_pred ], [r[i] for i in ind_pred ])] )",
                     "info(\"Done ({}).\\n\".format(_t()))",
                     "              ",
                     "#  #################################",
@@ -389,8 +488,39 @@
                     "",
                     "_t = Timer()",
                     "info(\"Optimizing hyperparameters...\")",
-                    "lmbda = 0.1",
-                    "sigma = None",
+                    "",
+                    "# lambda",
+                    "lmbda = 0.000001",
+                    "info(\"Regularization strength lambda set to fixed value {}.\".format(lmbda))",
+                    "",
+                    "# sigma",
+                    "if not has_hp:",
+                    "    info(\"Linear kernel has no free parameters.\")",
+                    "    sigma = None",
+                    "else:",
+                    "    sgrid = np.arange(4, 28, 2)",
+                    "    info(\"Finding kernel length scale via grid search ({} points).\".format(len(sgrid)))",
+                    "",
+                    "    # training set proper and holdout set",
+                    "    iind_holdout = np.asarray( random.sample(range(ntrain), nholdout) )  # indices into training set",
+                    "    iind_trainnh = np.asarray( list(set(range(ntrain)).difference(iind_holdout)) )",
+                    "    assert set(iind_trainnh).intersection(iind_holdout) == set()",
+                    "    ",
+                    "    sigma, best_rmse = None, float('inf')",
+                    "    for s in sgrid:",
+                    "        # kernel matrices",
+                    "        K = kernelf(repr_train[iind_trainnh], theta=(np.power(s, 2),))",
+                    "        L = kernelf(repr_train[iind_trainnh], repr_train[iind_holdout], theta=(np.power(s, 2),))",
+                    "        # krr model",
+                    "        krr = qmml.KernelRidgeRegression(K, y[np.asarray(ind_train)[iind_trainnh]], theta=(lmbda,), centering=centering)",
+                    "        preds = krr(L, \"Predictions\")",
+                    "        # evaluation and update",
+                    "        rmse = np.sqrt(np.mean(np.power(y[np.asarray(ind_train)[iind_holdout]]-preds, 2)))",
+                    "        # update",
+                    "        updated = False",
+                    "        if rmse < best_rmse: sigma, best_rmse, updated = (np.power(s, 2),), best_rmse, True",
+                    "        info(\"RMSE = {} (log2(sigma) = {}) {}\".format(round(rmse, 1), s, '*' if updated else ' '))",
+                    "",
                     "info(\"Done ({}).\\n\".format(_t()))",
                     "",
                     "#  #####################",
@@ -434,7 +564,7 @@
                     "",
                     "(minx, maxx, miny, maxy) = (min(y[ind_pred]), max(y[ind_pred]), min(preds), max(preds))",
                     "",
-                    "loss_descr = \"N       = {}\\nM       = {}\\n\\nRMSE = {} {}\\nMAE   = {} {}\\nR^2   = {}\".format(ntrain, npred, round(rmse,1), dataset_property_unitname, round(mae,1), dataset_property_unitname, round(r2,5))",
+                    "loss_descr = \"N       = {}\\nM       = {}\\n\\nRMSE = {} {}\\nMAE   = {} {}\\nR^2   = {}\".format(ntrain, npred, round(rmse,dataset_rounding), dataset_property_unitname, round(mae,dataset_rounding), dataset_property_unitname, round(r2,5))",
                     "",
                     "idealline = plygo.Scatter(",
                     "    x    = [minx, maxx],",
@@ -475,6 +605,7 @@
                     "    # position of legend via \"legend = { 'x': 0.9, 'y': 1 },\"",
                     ")",
                     "",
+                    "time.sleep(0.5); IPython.display.clear_output(wait=True); time.sleep(0.5)",
                     "ply.offline.iplot({ 'data': [idealline, scatter], 'layout': layout }, show_link=False)"
                 ],
                 "hidden": true
@@ -482,24 +613,24 @@
             "output": {
                 "selectedType": "Html",
                 "pluginName": "Python3",
-                "shellId": "10F89B7754F947E2B45C45706B51D5C2",
+                "shellId": "754F927B503E4D858FA31F4517283C29",
                 "state": {},
-                "height": 616,
-                "result": "<div class=\"output_subarea output_html rendered_html\"><div id=\"e69cb40f-638b-4a8d-96b1-cb96bda7f1ae\" style=\"height: 600px; width: 780px;\" class=\"plotly-graph-div\"></div><script type=\"text/javascript\">require([\"plotly\"], function(Plotly) { window.PLOTLYENV=window.PLOTLYENV || {};window.PLOTLYENV.BASE_URL=\"https://plot.ly\";Plotly.newPlot(\"e69cb40f-638b-4a8d-96b1-cb96bda7f1ae\", [{\"type\": \"scatter\", \"x\": [-2191.74, -667.28], \"name\": \"perfect\", \"line\": {\"color\": \"darkgray\"}, \"y\": [-2191.74, -667.28], \"mode\": \"lines\"}, {\"type\": \"scatter\", \"x\": [-1540.48, -1787.38, -1676.76, -1590.29, -1656.66, -1775.28, -1147.2, -1244.35, -1655.49, -1626.8, -1405.85, -1857.18, -1598.57, -1574.25, -1478.67, -1856.03, -1770.53, -1331.8, -1415.52, -1464.47, -1566.27, -1514.55, -1458.09, -1628.17, -1686.99, -1515.59, -1604.06, -1670.53, -1514.91, -1289.92, -1556.59, -1696.05, -1525.59, -1631.36, -1623.4, -1507.77, -1241.55, -1656.71, -1652.48, -1747.9, -1481.64, -1779.89, -1570.47, -1268.3, -1578.82, -1518.18, -1508.09, -1915.97, -1427.72, -1665.59, -993.7, -1505.56, -1583.17, -1584.04, -1323.46, -1626.66, -1414.66, -1786.63, -1515.35, -1480.73, -1612.35, -1718.05, -1772.93, -1572.81, -1423.95, -1444.04, -1614.9, -1341.6, -1901.45, -1850.48, -1916.08, -1059.16, -1572.06, -1867.06, -1705.6, -1661.81, -1666.29, -1648.43, -2045.81, -1663.27, -1366.75, -1254.7, -1498.65, -1025.19, -1424.98, -1721.78, -1791.4, -1460.0, -1402.25, -1009.94, -1483.97, -1849.44, -1685.55, -1295.84, -1018.13, -1764.72, -1790.76, -1375.86, -1899.95, -1849.25, -1612.67, -1513.72, -1564.68, -1767.17, -1441.28, -725.93, -1552.49, -1490.85, -1788.55, -1646.9, -1502.55, -1750.31, -1457.06, -1796.65, -1270.06, -1630.09, -1523.09, -1230.27, -1647.7, -1689.69, -1854.7, -1712.31, -1557.43, -1554.33, -1450.11, -1384.49, -1784.41, -1402.82, -1606.54, -1716.3, -1848.14, -1619.05, -1174.99, -1305.66, -1549.18, -1637.27, -1162.86, -1442.65, -1321.12, -1581.78, -1356.07, -1631.0, -1659.62, -1914.48, -1568.98, -1780.81, -1650.61, -1714.63, -1705.99, -1576.45, -1579.47, -1445.16, -1560.67, -1452.8, -1408.72, -1799.27, -1247.89, -1656.46, -1150.82, -1605.92, -1836.25, -1482.8, -1350.16, -1422.77, -1477.53, -1375.25, -1664.61, -1213.24, -1356.66, -1644.3, -1169.72, -1163.28, -1477.67, -1710.69, -1587.01, -1582.17, -1783.48, -1330.8, -1264.37, -1561.71, -1306.95, -1515.95, -1604.99, -1648.88, -1213.03, -1661.64, -1673.89, -1412.01, -1356.56, -1809.31, -1716.69, -1295.96, -1861.52, -1605.88, -1850.08, -1400.79, -1614.04, -1458.11, -1431.25, -1113.95, -1144.34, -1776.32, -1426.77, -1638.25, -1182.61, -1559.48, -1272.11, -1534.51, -1491.06, -1293.02, -1708.21, -1545.91, -1384.56, -1521.04, -1563.95, -1278.79, -1188.12, -1645.85, -1908.95, -1654.97, -1485.73, -1195.65, -1400.71, -1410.52, -1395.15, -1358.73, -1409.99, -860.26, -1146.75, -1525.84, -1617.04, -1306.65, -1529.05, -1423.26, -944.51, -1722.74, -1662.19, -1735.24, -1746.83, -1866.44, -1667.77, -1558.57, -1803.14, -1466.69, -667.28, -1356.74, -1784.25, -1784.42, -1490.06, -1581.66, -1927.95, -1415.1, -1423.74, -1665.49, -1376.32, -1839.45, -1464.66, -1493.76, -1019.74, -1278.45, -1450.81, -1524.29, -1116.01, -1242.64, -1353.03, -1722.12, -1313.99, -1584.46, -1426.12, -872.88, -1794.67, -1481.4, -1392.87, -1709.94, -1585.18, -1230.86, -1170.86, -1319.61, -1539.65, -1228.05, -1605.88, -1580.85, -1441.45, -1785.04, -1663.43, -1329.48, -1498.67, -1417.07, -1576.73, -1849.75, -1300.48, -1452.85, -2049.81, -1288.11, -1583.22, -1600.11, -1550.61, -1400.16, -1148.36, -1750.35, -1543.28, -1904.48, -1914.62, -1847.87, -1279.51, -1756.95, -1726.01, -1476.52, -1451.26, -1918.18, -1411.36, -1376.99, -1698.22, -1312.57, -1683.09, -1721.19, -1524.47, -1389.22, -1801.8, -1634.43, -1469.35, -1256.09, -1449.87, -1781.97, -1614.97, -1781.15, -1293.7, -1454.72, -1414.1, -1671.43, -1456.64, -1621.71, -1699.28, -1329.87, -1493.39, -1367.03, -1846.98, -1868.2, -1553.8, -1778.83, -1660.31, -1781.92, -1640.5, -1406.44, -1418.74, -1908.86, -1523.34, -1697.45, -1105.67, -959.62, -2045.12, -1277.49, -1414.65, -1862.52, -1614.67, -1561.34, -1552.78, -1629.05, -1555.34, -1447.91, -1839.39, -1796.21, -1615.12, -1476.8, -1650.55, -1768.2, -1246.53, -1844.38, -1913.01, -1640.23, -1373.53, -1372.75, -1480.93, -1237.81, -1545.88, -1360.32, -1615.55, -1429.63, -1148.05, -1376.59, -1642.18, -1787.31, -1461.5, -1567.94, -1854.36, -1422.49, -1339.76, -1450.05, -1569.24, -1605.09, -1148.1, -1268.01, -1284.31, -1665.99, -1847.7, -1910.69, -1748.27, -1750.87, -1617.24, -1245.71, -2046.71, -1580.73, -1237.65, -1511.0, -1718.57, -1538.19, -1788.61, -1646.05, -1375.77, -1718.06, -1336.97, -1859.97, -1555.5, -1523.33, -1563.37, -1605.4, -1595.62, -1619.53, -1935.47, -1672.59, -1411.62, -1621.32, -2056.74, -1718.15, -1715.95, -1467.55, -1696.4, -1584.35, -1159.08, -1445.63, -1555.31, -1897.37, -1791.51, -1578.44, -1652.72, -1542.25, -1427.68, -1845.02, -1805.58, -1580.76, -1689.49, -1370.72, -1718.67, -1386.56, -1564.76, -1719.65, -1418.77, -1376.16, -1547.63, -1920.38, -1521.24, -1718.77, -1933.52, -1576.36, -992.26, -1696.16, -1642.43, -1604.79, -1302.61, -1900.09, -1474.9, -1865.45, -1544.16, -1912.92, -1363.72, -1525.8, -1652.99, -1570.44, -1593.15, -1660.47, -1634.23, -1528.38, -1699.71, -1439.5, -1624.37, -1603.51, -1718.83, -1796.55, -1340.28, -1632.19, -1527.89, -1297.16, -1563.08, -1467.09, -1371.88, -1766.7, -1167.69, -1207.75, -1854.28, -1438.99, -1567.55, -1293.13, -1364.82, -1575.03, -1104.19, -1476.05, -1389.7, -1446.62, -1451.24, -1390.9, -1249.79, -1091.7, -1242.45, -1898.54, -1520.58, -1256.69, -1204.62, -1604.22, -1771.02, -1749.12, -1505.4, -1255.27, -1869.34, -1542.95, -1614.85, -1912.62, -1407.7, -1719.92, -1711.42, -1151.59, -1549.87, -1242.64, -1179.84, -1931.49, -1573.34, -1575.68, -1482.1, -1327.67, -1456.9, -1451.61, -1464.54, -1433.7, -1497.78, -803.46, -1715.42, -1693.64, -1840.83, -1312.45, -1917.37, -1383.17, -1458.47, -1724.39, -1850.72, -1365.61, -1924.7, -1342.31, -1650.84, -1239.32, -1359.29, -1396.28, -1478.87, -1649.04, -1558.4, -1858.16, -1424.38, -2045.98, -1456.53, -1747.8, -1074.92, -1266.38, -1988.07, -1422.17, -1208.76, -1296.11, -1596.57, -1695.59, -1400.72, -1524.76, -1473.63, -1490.08, -1384.44, -1452.71, -1567.71, -1161.48, -1373.65, -1708.55, -1594.95, -1414.51, -1483.67, -1265.8, -1712.86, -1781.3, -1416.48, -1577.57, -1704.84, -1411.7, -1748.95, -1569.44, -1579.98, -1655.43, -1862.87, -1774.48, -1336.85, -1576.92, -1506.88, -1858.9, -1788.8, -1614.22, -1587.54, -1429.56, -1351.27, -1423.43, -1425.52, -1600.33, -1911.07, -1396.32, -1553.33, -1459.54, -1410.14, -1250.0, -1151.67, -1220.23, -1417.48, -1585.99, -1599.47, -1250.37, -1647.3, -1644.68, -1352.41, -1581.83, -1411.06, -1461.29, -1692.03, -1494.91, -1650.66, -1637.22, -1601.6, -1799.97, -1517.85, -1755.17, -1441.97, -1373.51, -1351.42, -1386.11, -1544.29, -1657.63, -1418.45, -1551.39, -1511.5, -1158.07, -1716.2, -1659.1, -1406.71, -1457.08, -1577.59, -1244.22, -1246.47, -1798.5, -1566.1, -1424.25, -1649.87, -1632.05, -1553.05, -1351.87, -1408.99, -1462.2, -1631.25, -1563.94, -1458.24, -1249.22, -1008.49, -1507.23, -1169.74, -1370.35, -1768.35, -1276.23, -1842.76, -1409.71, -1222.68, -1292.77, -1389.28, -1916.53, -1432.78, -1741.42, -1546.98, -1724.73, -1353.79, -1860.2, -1672.42, -1512.61, -1428.46, -1516.96, -1491.2, -1354.18, -1418.65, -1148.41, -1916.74, -1746.46, -1715.78, -1430.95, -1566.74, -1928.5, -1427.61, -1239.64, -1376.46, -1551.17, -1410.52, -1661.44, -1386.71, -1446.75, -1667.49, -1513.38, -1530.98, -1517.58, -1623.91, -1549.57, -1301.28, -1017.04, -1522.24, -1751.01, -1463.99, -1710.8, -1912.68, -1462.97, -1580.26, -1787.53, -1551.27, -850.55, -1383.97, -1659.75, -1350.08, -1155.49, -1793.48, -1598.08, -1860.3, -1423.73, -1125.07, -1661.49, -1610.53, -1867.1, -1785.84, -1508.36, -1904.97, -1421.61, -1525.31, -1545.42, -1160.27, -1503.21, -1602.41, -1536.16, -1752.37, -1481.54, -1301.31, -1341.11, -1755.73, -1440.94, -1123.24, -1640.74, -1509.49, -1351.31, -1838.29, -1248.5, -1453.44, -1369.8, -1562.32, -1188.55, -1344.81, -1185.2, -1435.76, -1910.78, -1355.33, -1569.14, -1848.73, -2049.96, -1588.63, -1563.63, -1339.64, -1412.17, -1901.3, -1907.96, -1444.6, -1585.81, -1236.4, -1416.38, -1437.02, -1649.25, -1610.06, -1434.79, -1468.0, -1549.38, -1716.5, -1414.1, -1562.46, -1350.25, -966.71, -1395.64, -1580.76, -1426.08, -1658.95, -1773.82, -1446.52, -1084.63, -1505.31, -1617.81, -1432.72, -1725.4, -1710.01, -1573.16, -1687.56, -1755.56, -1320.97, -1647.92, -1766.74, -1512.46, -1375.13, -1362.59, -1477.12, -1238.37, -1710.76, -1657.83, -1612.58, -1492.6, -1118.53, -1609.34, -1460.27, -1405.43, -1228.4, -1928.82, -1709.38, -1857.21, -1296.13, -1622.33, -1510.55, -1633.76, -1363.63, -1584.59, -1489.79, -1570.95, -1572.56, -1546.79, -1721.09, -1574.53, -1773.89, -1783.97, -1632.72, -1683.16, -1515.35, -1490.92, -1495.78, -1328.78, -1118.32, -1585.4, -1524.77, -1228.95, -1315.91, -1286.23, -1406.56, -1706.44, -1668.82, -1543.41, -1360.84, -1294.72, -2060.31, -1187.63, -1230.84, -1608.25, -1710.18, -1350.26, -1481.4, -1420.77, -1487.82, -1159.98, -1466.65, -1391.34, -1211.2, -1374.26, -1553.26, -1622.6, -1240.58, -1234.45, -1929.2, -1086.74, -1777.61, -1909.91, -1436.75, -1555.44, -1628.38, -1608.07, -1321.91, -1197.04, -1643.94, -1511.16, -1325.85, -1656.1, -2191.74, -1377.47, -1908.02, -1552.41, -1443.77, -1482.27, -861.62, -1479.66, -1254.11, -1651.18, -2062.9, -1443.15, -2057.83, -1421.2, -1625.64, -1727.42, -1780.5, -1695.85, -1797.91, -1754.43, -1512.19, -1480.18, -1582.48, -1637.29, -1160.57, -1419.65, -1583.76, -1219.46, -1922.71, -1150.53, -1707.17, -1115.27, -1264.02, -1645.18, -1914.67, -1314.51, -1653.63, -1097.08, -1450.2, -1667.71, -1913.79, -1567.07, -1846.9, -1778.39, -1582.33, -1510.24, -1757.72, -1781.29, -1718.79, -1472.0, -1493.62, -1703.05, -1285.86, -1995.55, -1319.39, -1486.14, -1523.23, -1649.39, -1475.01, -1315.2, -1774.82, -1269.02, -1849.16, -1704.48, -1760.89, -1849.77, -1861.2, -1552.63, -1705.39, -1634.78, -1779.66, -1916.97, -1413.17, -1380.39, -1661.16, -1660.91, -1609.65, -1919.56, -1628.48, -1323.87, -1908.46, -1699.78, -1711.85, -1660.33, -1300.46, -1374.26, -1522.05, -1563.53, -1869.5, -1915.81, -1073.75, -1455.26, -1657.96, -1358.14, -1606.2, -1698.72, -1522.57, -1622.07, -1194.16, -1362.85, -1577.22, -1707.52, -1746.04, -1461.62, -1991.34, -1845.23, -1309.33, -1448.23, -1073.94, -1717.17, -1144.85, -1377.38, -1666.22, -1906.86, -1625.46, -1781.28], \"mode\": \"markers\", \"y\": [-1552.0410564477236, -1778.4070251740486, -1656.3256024537689, -1620.7636883937125, -1636.7355572554357, -1729.1335158692596, -1146.117727725131, -1336.5960476392634, -1648.1032769289639, -1673.590106888489, -1395.0954434962193, -1862.4902953110673, -1562.7391548356902, -1609.8911389382076, -1540.9137549256568, -1858.281779226647, -1767.4728021057217, -1335.4146212960716, -1316.8756279452741, -1486.230247955931, -1552.1517790459607, -1530.4333893386251, -1462.5418284470743, -1620.7412820416741, -1703.0026195971243, -1503.6055035446723, -1595.4352126143917, -1691.0484229717838, -1505.3896297489862, -1245.0728366837106, -1500.3470124247333, -1702.6804918989535, -1508.8898391561158, -1645.929221782756, -1623.3803836320708, -1491.5878543061729, -1243.8429035938516, -1706.4673063274822, -1609.266035616874, -1794.8642505647733, -1526.8447466916125, -1778.7931127209906, -1592.9022247888015, -1235.6432967000949, -1604.8872790923622, -1542.2797227474903, -1496.0093396303682, -1914.8156351699008, -1408.000676215972, -1621.0589652626284, -1019.7640118616771, -1491.1788973485452, -1615.1214215163961, -1552.6727912289782, -1256.135494739528, -1622.8188093213773, -1376.8123030030815, -1805.0577611861167, -1529.584300792052, -1470.2426462584258, -1632.4006038504203, -1722.893400992445, -1768.5060510205553, -1602.2598779885288, -1389.7932707954214, -1480.8438755699658, -1593.3410221226923, -1384.5570296740357, -1881.0723121492895, -1835.2514902963485, -1929.7027643273843, -1045.882690620112, -1566.3618268710943, -1851.6197889128039, -1736.5284241527886, -1651.5259254979414, -1672.9806721278364, -1638.0400146277245, -2027.72986963332, -1680.021508626912, -1357.8020012220807, -1239.984249476639, -1484.4994114185026, -1034.1710632103207, -1451.4903951742717, -1752.6839161940586, -1778.4647847414474, -1464.7810311514256, -1382.9783467065158, -1034.6832615234234, -1525.9501557380333, -1847.3341173846, -1645.40155484206, -1300.7328774298794, -1049.93983503061, -1764.0252821124873, -1833.4993165140536, -1354.7345953811537, -1872.395082840395, -1836.6200562511283, -1602.8283495667924, -1507.928781968131, -1500.85002823304, -1789.6745932728327, -1443.3324255058074, -738.1612170632735, -1593.3565966618762, -1413.8613802995399, -1732.75965578894, -1631.0905040451876, -1535.6494674013306, -1735.362739418903, -1456.5694436416484, -1770.391277300308, -1273.1800041985925, -1665.4985200490435, -1521.9128414130669, -1245.5644771844386, -1625.837092914127, -1681.4280275806054, -1832.6229704288403, -1721.1385311240501, -1592.0474553072602, -1555.93554941391, -1483.071435758489, -1380.0915052285, -1828.7046912263845, -1411.146270356545, -1590.5398037559096, -1716.9521856710621, -1845.2702949114264, -1628.7598423399743, -1188.5711232158133, -1307.630832206933, -1535.0075487558302, -1685.039375055644, -1167.8330680051793, -1473.8253555021101, -1349.6037764974249, -1604.5303258746146, -1339.5727611717653, -1633.2256125216168, -1702.1246263973683, -1859.537567546433, -1533.9777543634073, -1767.9012870821832, -1628.9470406395892, -1718.628671541155, -1708.8018406737494, -1557.34518525531, -1565.9454347111698, -1463.9032676498578, -1593.8811233174529, -1481.9519456247324, -1434.9605688876195, -1772.6171099919475, -1240.122317100962, -1634.2982057291906, -1173.9442166262686, -1574.3471939195138, -1844.142704807702, -1484.8429807353234, -1335.3553442080404, -1411.3830697910093, -1506.1970230343352, -1381.2889625937285, -1662.338953808444, -1250.7170948527155, -1324.1404813719973, -1624.7077322984985, -1174.479622825711, -1195.2360318867177, -1463.8473759941671, -1718.5246935498205, -1545.4059628985513, -1600.277610274518, -1806.523766018154, -1308.0874570838805, -1305.1449528748494, -1493.342804436402, -1330.50589381028, -1549.6028289318451, -1564.8210642939782, -1668.2492183853683, -1208.7570961902366, -1645.6905372771687, -1706.7926811504503, -1443.443443971167, -1351.1481864547989, -1820.4874202596225, -1716.5313955679171, -1252.881441734817, -1881.7508173519407, -1598.6311121392737, -1871.0104425699, -1368.7664640994285, -1596.0225750955312, -1501.881045606901, -1397.2502808427666, -1167.5670222521414, -1092.5604430596613, -1808.8682938180723, -1465.143395219498, -1625.2158363440985, -1209.5079259333536, -1508.9961976487705, -1250.2975789566344, -1486.3806906463678, -1506.1066687073865, -1318.6762184117638, -1729.3945821985842, -1608.355640860023, -1350.1759138215798, -1510.877663716495, -1560.6563697720605, -1259.516255142814, -1172.7602339137056, -1675.1281932627298, -1931.2581408265794, -1689.719381341513, -1512.4761715343434, -1185.4700409375819, -1465.0045812891117, -1464.1720803497833, -1420.2864890206508, -1340.2988979197135, -1425.8402512045677, -785.3033040811011, -1165.2152880435185, -1507.8316067076878, -1634.2126787819425, -1301.3353856254453, -1547.292448745349, -1373.2764356182875, -907.8058743163766, -1719.0082234507984, -1660.3829820181986, -1693.6911590590125, -1724.5996486457195, -1860.6264894272656, -1630.3349262966415, -1558.9653886574, -1811.7949552854568, -1476.289571213254, -627.2140176693796, -1341.9088719596405, -1829.2020343349025, -1784.530058899073, -1424.1385084339145, -1611.1427772821974, -1845.2659818262746, -1378.5896434308856, -1409.4609154246175, -1676.3839022546135, -1343.2978451062402, -1841.3911098807748, -1482.8382643447605, -1415.6238544105138, -1027.0894498907537, -1309.2028711001687, -1483.383118874536, -1512.8687123738323, -1114.029263830007, -1255.369870331752, -1329.3766209671148, -1724.8397618987738, -1310.702836775129, -1614.9315217504675, -1474.4359241805798, -849.7138304023434, -1767.8517779270433, -1479.9509894781095, -1428.351479214132, -1667.67299660487, -1609.1824699115925, -1214.3490804668236, -1178.4956878003882, -1336.8310777437862, -1581.0334659625162, -1233.9120547312646, -1611.2943868279501, -1552.6449505077042, -1471.9722868310398, -1806.4070901489222, -1635.9597283223763, -1333.8076031780768, -1493.8187204556905, -1386.4441040294703, -1598.490060974433, -1888.2659858444313, -1321.647196035425, -1488.7062833975892, -2039.8245982742849, -1319.1739475886466, -1613.1845109998305, -1572.827727627132, -1559.14234073876, -1406.7275673731842, -1144.7001439838514, -1679.7039636846177, -1530.5206298337803, -1846.6031779159307, -1940.9836222769682, -1872.3873846868346, -1320.891887037473, -1739.1832153877656, -1709.955130673564, -1520.979044760493, -1477.8198811320153, -1923.2190141271885, -1379.643248777326, -1392.9702371931285, -1750.4350507815136, -1276.281357978819, -1634.0070294302448, -1715.3968398228226, -1498.826280162165, -1360.8688566024466, -1836.0436935790744, -1639.253420743899, -1486.136739483282, -1240.5419636315876, -1488.6844464102878, -1759.626816194154, -1626.5666867601312, -1811.4923755459633, -1276.6921700549858, -1458.3596371489598, -1378.697631435632, -1623.6960269307435, -1472.781429307633, -1599.309584439814, -1684.268046083193, -1355.2349706258283, -1470.3158188094271, -1357.715502185935, -1830.5112195829004, -1861.521578405178, -1534.9368381871152, -1719.8597916082506, -1646.2337849585108, -1785.5691421840152, -1657.3162415163304, -1360.068850905461, -1429.6798568636393, -1907.3012281261585, -1515.6090612632215, -1684.581460798469, -1107.3327549940304, -951.8546678153562, -2019.1549498744448, -1258.5730907747243, -1449.1820702407376, -1867.4846481898865, -1594.961234812502, -1590.78110919385, -1500.8231282520599, -1622.5200265870058, -1567.7629942700041, -1483.7517855541, -1845.6728227591275, -1794.855789157501, -1606.0568688348214, -1490.0060144969661, -1569.8708534326588, -1748.8121235525607, -1254.0684377291739, -1847.3273793235103, -1908.1689280966684, -1690.2868146878327, -1373.3495245087927, -1391.5677698422614, -1515.600152942907, -1236.063927884507, -1545.0216764489567, -1321.4663881909025, -1619.0653494225169, -1421.2863388423486, -1206.7151377790033, -1364.1110770517723, -1634.927935547383, -1723.52545014443, -1458.1832860607312, -1549.639641130873, -1842.6495450449106, -1457.7153923895046, -1349.1776358972597, -1446.6933177051308, -1635.3610643800725, -1613.560227399944, -1103.5050092907109, -1290.9412233550643, -1306.5025486641064, -1617.970338569676, -1851.7067641952344, -1903.4136921056274, -1743.6785147741166, -1734.355584880183, -1594.8587447210791, -1296.2408389856027, -2041.4938119783578, -1613.9040162581334, -1219.2281324948322, -1513.882911954736, -1717.7045291868662, -1505.137751855664, -1816.9007514325026, -1630.2324377897253, -1347.2114239251382, -1698.2242097818062, -1320.8029333312916, -1864.442569214588, -1549.691167761328, -1533.944107123724, -1607.7730925826718, -1569.8789778567893, -1626.3538568391198, -1629.7977044461168, -1985.5786419108272, -1640.9383575817778, -1439.7931601239084, -1641.8825005608137, -2063.7314971181845, -1722.389859223866, -1699.0161487615273, -1460.9056009248948, -1704.7910414948142, -1635.5666315304193, -1117.9112279506382, -1490.8544570176327, -1492.178655361047, -1867.3799775378634, -1801.3948952026808, -1551.7456454210014, -1675.9056550843165, -1519.2302838865457, -1411.8335457098074, -1867.3820812226102, -1810.7571307997987, -1567.469534116912, -1690.3356073334994, -1383.7279440815637, -1747.3857184579297, -1370.775367227867, -1577.4651379890754, -1723.7281480273705, -1462.077184489098, -1465.677453032611, -1557.2642583540198, -1922.9056595096345, -1504.9018504233948, -1715.1379893651622, -1952.7558963739807, -1560.1516614012237, -1028.072700836459, -1702.3763253316415, -1620.2258798454945, -1616.6465644400414, -1315.3504540320973, -1866.3253713195331, -1484.383598232598, -1865.158532991749, -1535.9259619107302, -1894.5123795945267, -1334.408811884766, -1507.9582922499753, -1689.1807180968826, -1571.4680466513935, -1606.650408355936, -1657.3993759255432, -1637.1259641247107, -1488.8986639283885, -1698.6961722413985, -1467.8341827987424, -1628.0735330945392, -1611.6581598879543, -1715.030032227108, -1763.216830458059, -1332.1241675935094, -1640.4923929324325, -1504.297213281033, -1293.353406314132, -1596.367364589633, -1526.1875559183115, -1383.8544130689718, -1757.8814602703005, -1169.6725871665062, -1187.5630300653302, -1843.3452505166197, -1391.2503517345192, -1595.0799337102874, -1211.6175966895757, -1352.4904199325833, -1587.7114072580077, -1117.735108201898, -1485.6722684405856, -1377.0402584736207, -1483.8734544256838, -1478.5193193051039, -1370.0888603223539, -1238.5701150845223, -1074.73503933643, -1239.832752922312, -1865.316621668015, -1531.665057254655, -1173.6407824011303, -1208.5621927322306, -1606.4854976872723, -1717.4172575139537, -1721.8831195517055, -1513.2766140653412, -1249.1113129392668, -1867.6978425703296, -1519.4152573604058, -1611.6586499209327, -1876.0210491922314, -1385.4140892738371, -1708.6289135284642, -1703.0801451504076, -1173.2099809049237, -1555.1933356240668, -1224.061565399436, -1178.9504588614495, -1915.3275972006352, -1524.4994438566218, -1555.0868040630478, -1420.3783643260865, -1343.2409888059092, -1464.7992878063305, -1437.4724639733254, -1476.4121718210818, -1481.2548079504113, -1473.995882511494, -842.2861581880081, -1727.9518872804101, -1707.030688666362, -1891.7164184694489, -1331.0591182789149, -1919.3986019319148, -1385.8104776312207, -1423.1108890953765, -1709.4110601191599, -1849.8005284323453, -1345.7178849549157, -1852.1932698791024, -1351.534743317368, -1641.0462933078873, -1240.7138900040768, -1333.729877220963, -1366.58400988174, -1514.096865358365, -1629.2003151140648, -1566.3193378239775, -1866.0501787936876, -1461.3211409821986, -2030.5681462549933, -1475.74243057722, -1730.8003337464797, -1055.1802189383793, -1308.4875040507022, -1993.3162379945445, -1417.5554175733253, -1223.862226400835, -1366.2520034893469, -1566.9211103081332, -1708.1605902007616, -1403.6771967667084, -1487.0871199078276, -1495.7911701825174, -1501.6337155891852, -1363.762886399905, -1489.5810982785445, -1584.9865205642081, -1220.3205465975627, -1378.4655258689215, -1698.8888498802999, -1567.1799717535425, -1411.2400582334262, -1470.0222823942038, -1255.1736467313926, -1738.0384207048244, -1770.5019136912952, -1388.849803419605, -1621.5666098477157, -1722.5340799281223, -1433.5830345555828, -1784.6128219752638, -1563.9939137373274, -1594.1063163909907, -1650.0423877163423, -1891.8993576750556, -1774.7513395019387, -1343.1055873517912, -1589.6866287654545, -1523.89290776927, -1861.3234908716934, -1762.3751347417517, -1625.5707057267475, -1561.0649376771626, -1391.9172219895106, -1404.4182191564018, -1362.0411168278088, -1478.7806035610074, -1580.0767518845948, -1926.3048156596942, -1398.1156999611412, -1604.2797314848513, -1486.0872437492776, -1449.0541286328641, -1245.0456468111295, -1183.2317601009916, -1242.64640222209, -1488.918894070591, -1616.5691690217668, -1609.243512214588, -1243.8731148908146, -1623.2029528336207, -1628.0553515729662, -1341.3757442605163, -1602.8811500841875, -1387.3865864689667, -1463.3212083591206, -1661.8362767874105, -1478.7374077944298, -1623.129779076593, -1700.5504777589579, -1585.2809503442552, -1787.5404441846663, -1499.974300070839, -1733.3922573130399, -1449.1607957035844, -1381.3333399111336, -1347.5138581665017, -1337.9675926862526, -1569.4887918360548, -1648.0860960846628, -1435.0646342837879, -1551.1667032597404, -1509.3236864567198, -1169.7507069761507, -1714.4221688203934, -1686.3401493967046, -1439.5902725140463, -1490.0965719616188, -1549.0271230411965, -1235.2806346141085, -1221.4690296306972, -1826.8078836802665, -1557.2972286294485, -1414.1553275297279, -1626.8282610861238, -1675.429304341522, -1530.3399124571595, -1346.7527508861156, -1401.9198121259553, -1475.2546185561305, -1656.4090072722668, -1501.5266289635595, -1428.401275727138, -1237.3090568735054, -980.6182787921158, -1498.4067350492626, -1174.7911405404668, -1362.5930473644305, -1782.4835990546417, -1330.0737622317515, -1861.3702169882924, -1446.2084292526163, -1221.308670017488, -1264.8021713752053, -1407.7959868910996, -1914.404545675808, -1443.4035636334352, -1730.7334139461161, -1578.5944057210909, -1689.0407675085908, -1336.7041679719437, -1878.7293000337731, -1698.0163974659856, -1492.7132723173745, -1475.3363724389772, -1507.4826308789798, -1484.6171907921039, -1337.9131804588778, -1441.2650795814116, -1185.8505603145632, -1912.690930218089, -1714.9872917669766, -1706.1721738867948, -1472.937786753888, -1576.4367914752656, -1942.219326618115, -1412.1510032703832, -1225.8467856426546, -1377.9471689635693, -1539.4737694071744, -1375.5218239104602, -1687.6792661868092, -1376.6119162341747, -1475.1044763503112, -1695.4088507247282, -1482.6720765645948, -1519.2427818163835, -1503.6551664938306, -1624.960479196305, -1593.348915399662, -1279.3566862646571, -1031.437552107263, -1497.0887733766824, -1693.2502972138373, -1435.8924679668357, -1739.2690478273817, -1916.3263269936178, -1467.8194350077297, -1602.6333923050256, -1809.8850300305576, -1538.4152653097565, -834.4037760556539, -1414.1830907375677, -1617.5383190571401, -1383.9982679392817, -1176.0409419503435, -1825.0556184570914, -1597.154952355874, -1873.5398766579692, -1437.6594754086639, -1104.8531644148127, -1645.4744167808383, -1576.344531650579, -1859.005667911027, -1774.5279084024091, -1475.187241339363, -1866.8251259918848, -1443.1411883377605, -1540.1658677368277, -1563.773649242743, -1167.227855420164, -1491.3475933707764, -1567.2616228059837, -1510.6150259654587, -1733.4137764553755, -1496.1807139062325, -1259.6228042242374, -1372.8743216057476, -1721.578248383434, -1429.1690273868837, -1126.5976628838473, -1634.0290113491958, -1504.5465309977953, -1271.6077717726535, -1846.1263535310013, -1236.6497220605638, -1439.4261610721087, -1376.9371419522909, -1588.0199752119822, -1206.8748654869892, -1372.721652613157, -1175.0831867751756, -1482.4960820284425, -1910.3099651936404, -1367.532900649448, -1606.9404741831017, -1836.0066933308547, -2030.0091722913571, -1544.511202400127, -1439.4970805445846, -1329.080089494477, -1396.0414492682298, -1842.112448998648, -1943.1285103450832, -1379.8195290446258, -1612.5641584410341, -1227.9120760809997, -1446.9139240105055, -1476.1894320073989, -1625.9788560919915, -1600.197831127662, -1446.556419161409, -1482.0759086745009, -1515.6659138627604, -1732.7347187937403, -1398.7624845904993, -1519.5805783197318, -1349.8559110228512, -963.7827419681579, -1409.647712323843, -1607.6388173787586, -1392.317703160522, -1651.4604849890186, -1763.0811695051816, -1389.5172402721626, -1053.7329689647495, -1486.984105305594, -1644.529162496704, -1475.7850598891905, -1724.4374653278905, -1692.6227426149917, -1566.4105113174774, -1730.6519590950475, -1777.1466054101043, -1334.6030579456535, -1629.1297249051167, -1770.4176274284923, -1516.853088801778, -1396.1076936394547, -1347.9290559167812, -1491.835722049272, -1257.0073247425928, -1703.8993046430055, -1629.2210066413202, -1605.2385311558237, -1485.5328951905308, -1153.857430093494, -1599.8176375562648, -1471.360579880114, -1483.9151501547788, -1225.353645341651, -1859.63489014385, -1728.8155176145456, -1883.8422882976545, -1264.0706256611838, -1580.591928365072, -1512.9310242744914, -1678.8784706058639, -1382.266913374215, -1554.297116970182, -1479.4239842297266, -1609.0782599082052, -1591.4356543432102, -1560.4125837370746, -1712.5759459380765, -1586.7057399364278, -1746.1042674738403, -1833.6963532735474, -1598.56824015434, -1689.4405609217358, -1559.6715682293443, -1494.0971012090797, -1486.9308794220829, -1344.9513469977837, -1093.8951324272423, -1609.1262286234323, -1488.0454949648702, -1240.7343259721454, -1307.3162445870908, -1310.9182930777217, -1389.1198836517099, -1739.7362563048646, -1676.3564095976153, -1535.667739855893, -1326.9288436876645, -1316.5323547690782, -2052.167568322472, -1229.9680988267964, -1233.0834456832229, -1603.7653484993157, -1705.6322473464163, -1343.7474474350868, -1512.1715355708996, -1446.742741331205, -1516.5579217056318, -1171.5702747193468, -1471.9514247192994, -1447.5251117041032, -1198.4297082552707, -1352.322101547034, -1528.1234341304328, -1621.5571983361322, -1192.4927692969413, -1215.595221639133, -1952.546723412062, -1113.6316201800694, -1708.2947797521756, -1912.593084566306, -1461.339108651981, -1569.9453610235362, -1662.7626040304049, -1555.1261430734437, -1313.7075150643475, -1177.0521988389642, -1633.8964133886734, -1502.9337242405318, -1336.722575090814, -1678.178375268072, -2162.531282988888, -1377.0361110935469, -1917.1250820479154, -1549.5885266238352, -1471.599553835518, -1477.319042121853, -852.1771996888465, -1452.426189893921, -1254.335425276982, -1694.778659182123, -2081.321746477967, -1443.8805720159105, -2042.4485761505175, -1330.3342696530008, -1655.4303411441815, -1736.5720748960925, -1767.0827274022324, -1709.2438698338347, -1784.8888267779903, -1751.5927465276852, -1507.5273414671433, -1487.9584668562934, -1604.688288212458, -1653.580602700873, -1111.0871460959224, -1385.2235689482454, -1562.1187197900938, -1244.1833237148578, -1926.5659844456172, -1112.3173341234155, -1740.912968344987, -1106.1389363938913, -1268.0319729604832, -1633.9564322996448, -1949.088615856959, -1326.9743177742298, -1653.1989305395275, -1159.0322301184315, -1461.0087334514042, -1641.3833477546395, -1921.6049806197275, -1569.4863719841364, -1862.5439745720969, -1794.3722822810007, -1589.9516649382938, -1496.5078063740045, -1761.5889293685682, -1760.0224384707792, -1714.3629381062551, -1480.6830188446324, -1475.3863380053183, -1704.8409726053146, -1319.1847178335852, -2006.3560439714834, -1332.6940398846318, -1545.9934714204346, -1512.6766580267436, -1573.31852962561, -1476.2023901944233, -1332.0312886640504, -1819.7299899464995, -1332.0684539556735, -1849.3243577378307, -1685.4973985409715, -1765.584053709165, -1829.73837541732, -1877.8708602179884, -1532.1379255937131, -1722.3969729208955, -1577.0813619278115, -1716.0063099712766, -1921.9300754375895, -1366.4242001997472, -1373.206317928267, -1632.3490161626758, -1669.7298309934622, -1577.644622815938, -1903.6410737183908, -1562.2649342101945, -1350.9215546172247, -1927.0751291498732, -1743.8483829299107, -1717.1979004292684, -1703.5682411888097, -1334.8418457262496, -1403.8774632961536, -1506.3183955198162, -1445.9733561819844, -1883.4438924239064, -1936.0596837316898, -1091.5104149713272, -1462.4944403902762, -1661.1763530664969, -1332.445555576871, -1597.8544891232377, -1704.1077866835421, -1543.026412733508, -1631.479987928198, -1103.6938205716024, -1386.5681283240888, -1562.3428996195878, -1709.243020975122, -1717.3088873173604, -1480.1783273577225, -1995.188540041052, -1846.9052329243111, -1333.1642274903609, -1459.4372358480412, -1101.464588336499, -1719.6617784586485, -1145.4974949435302, -1383.445826664255, -1616.3515773477725, -1899.7920961537397, -1637.6274545219003, -1759.1525656773008], \"name\": \"predictions       \", \"marker\": {\"color\": \"rgb(0.45,0.45,0.8)\", \"line\": {\"color\": \"black\", \"width\": 1}, \"size\": 5}}], {\"width\": 780, \"yaxis\": {\"title\": \"ML atomization energy / kcal/mol\", \"mirror\": true, \"showline\": true}, \"annotations\": [{\"xanchor\": \"left\", \"showarrow\": false, \"yanchor\": \"top\", \"xref\": \"paper\", \"y\": 0.7, \"text\": \"N       = 5000\\nM       = 1000\\n\\nRMSE = 28.4 kcal/mol\\nMAE   = 22.1 kcal/mol\\nR^2   = 0.99182\", \"x\": 1.025, \"align\": \"left\", \"yref\": \"paper\"}], \"xaxis\": {\"title\": \"QM atomization energy / kcal/mol\", \"mirror\": true, \"showline\": true}, \"autosize\": false, \"title\": null, \"height\": 600}, {\"linkText\": \"Export to plot.ly\", \"showLink\": false})});</script></div>",
-                "elapsedTime": 6006
+                "height": 617,
+                "elapsedTime": 24985
             },
             "evaluatorReader": true,
             "tags": "trainAndPredictCell",
-            "lineCount": 171
+            "lineCount": 231
         }
     ],
     "namespace": {
-        "ctrl_ds": "1",
-        "ctrl_pty": "1",
+        "ctrl_ds": "4",
+        "ctrl_pty": "6",
         "ctrl_repr": "1",
-        "ctrl_k": "1",
-        "ctrl_n": "5000",
-        "msg": "Hello world!"
+        "ctrl_k": "3",
+        "ctrl_n": "3000",
+        "msg": "Hello world!",
+        "prog_msg": "Hello"
     },
     "locked": true
 }
diff --git a/example-data/QMML/dsC7O2H10nsd.xyz b/example-data/QMML/dsC7O2H10nsd.xyz
new file mode 100755
index 0000000..fc03318
--- /dev/null
+++ b/example-data/QMML/dsC7O2H10nsd.xyz
@@ -0,0 +1,127995 @@
+19
+0 1	3.1580357	1.2436329	1.1060216	1.1312	77.92	-0.21236	0.02396	0.23632	1176.6995	0.155411	-422.593067	-422.583794	-422.58285	-422.62703	34.695
+C	-1.8396130083	 0.5292955664	 3.1820679223	-0.414977
+C	-2.146536134	-0.1644674918	 1.8425113894	 0.232941
+C	-3.586600184	 0.1326587167	 1.3866819689	-0.415379
+O	-1.9452668697	-1.5736417154	 1.9580687171	-0.461014
+C	-1.1644615826	 0.2689585055	 0.7910045705	 0.388553
+C	-0.2471162449	-0.3975622829	 0.0428984233	-0.278918
+C	 0.3852095134	 0.5870284364	-0.7883677644	-0.178412
+C	-0.1971400753	 1.7724752692	-0.4801599455	-0.025883
+O	-1.1464285779	 1.5977410694	 0.4827597736	-0.201531
+H	-2.5655496903	 0.2227697011	 3.9444233135	 0.100196
+H	-0.8376996067	 0.2552388729	 3.5215923743	 0.128535
+H	-1.8910976269	 1.6166367216	 3.0809448095	 0.130435
+H	-4.3011711473	-0.171260251	 2.1607772826	 0.100233
+H	-3.7248895561	 1.2003322827	 1.1965844054	 0.130552
+H	-3.807483374	-0.4187666041	 0.469412708	 0.128541
+H	-2.5619847116	-1.8978764082	 2.6220936647	 0.278056
+H	-0.0515172885	-1.45582614	 0.0837382916	 0.120535
+H	 1.1666915942	 0.4258947957	-1.5144623143	 0.1088
+H	-0.0672231395	 2.7838141258	-0.8278174205	 0.128737
+19
+0 2	3.1838909	1.173756	1.0523035	1.4619	76.64	-0.22287	0.01851	0.24138	1210.2333	0.155817	-422.59163	-422.582536	-422.581591	-422.625277	34.434
+C	-2.0890239724	 2.3550208008	 1.7521844439	-0.417838
+C	-1.9667871516	 1.4187715958	 0.5388037331	 0.227007
+C	-2.651336749	 2.0320300467	-0.6896415989	-0.383461
+O	-2.6812906814	 0.2034839703	 0.7932883045	-0.454642
+C	-0.51814299	 1.1018536195	 0.2392669648	 0.233098
+C	-0.0102420938	-0.1320160942	-0.0298971915	-0.115595
+O	 1.3289191203	-0.0673790299	-0.2657153292	-0.148066
+C	 1.683852094	 1.2375032635	-0.1480494342	 0.007279
+C	 0.6040986615	 2.0003482292	 0.1592815426	-0.314634
+H	-1.6141565068	 1.9107082565	 2.6338532376	 0.109824
+H	-1.6070581237	 3.3197725339	 1.5670134965	 0.116364
+H	-3.144887965	 2.5314490001	 1.9757225604	 0.121566
+H	-2.6102605963	 1.3307312005	-1.5264603089	 0.126458
+H	-3.699781217	 2.2494371839	-0.4652559188	 0.117809
+H	-2.1538948581	 2.958882816	-0.9877360109	 0.113924
+H	-2.2985309416	-0.1931582531	 1.5839945073	 0.273897
+H	-0.4578684186	-1.108091814	-0.1010495619	 0.142122
+H	 2.7272739631	 1.4559769256	-0.305762374	 0.135838
+H	 0.6006415762	 3.0684928789	 0.3117058076	 0.109049
+19
+0 3	2.4840899	1.3116776	1.0558007	1.6033	78.88	-0.19589	0.0248	0.22069	1226.8961	0.155746	-422.585977	-422.576376	-422.575432	-422.620784	34.719
+C	-3.7797703268	 1.8551823313	-1.2189367247	-0.381494
+C	-3.3803574103	 1.273836232	 0.1514827204	-0.088818
+C	-4.2124254167	 0.0196749466	 0.4836708681	-0.381481
+C	-1.915025401	 1.0017810306	 0.2305325193	 0.291485
+C	-0.9141609038	 1.4924917639	 1.0164724648	 0.186189
+O	-1.0917255396	 2.4333611012	 1.9890768894	-0.446629
+C	 0.3015504578	 0.841494371	 0.6223452768	-0.307265
+C	-0.0506595172	-0.0039289167	-0.3814346783	-0.005739
+O	-1.3774373597	 0.0762487866	-0.633072532	-0.194237
+H	-3.5620785232	 1.1409002996	-2.0193337325	 0.123572
+H	-4.85127784	 2.0788098449	-1.2464737117	 0.107222
+H	-3.2304896917	 2.776983424	-1.4312966502	 0.116166
+H	-3.5786841346	 2.0319571501	 0.9184153828	 0.098433
+H	-3.9703166466	-0.3614280339	 1.4799955429	 0.116197
+H	-5.2831083671	 0.246806575	 0.4527692906	 0.10722
+H	-4.0142070406	-0.7776030131	-0.2397232887	 0.12354
+H	-0.2428219122	 2.6167952117	 2.400283136	 0.298923
+H	 1.2899947671	 0.9868581873	 1.0315248382	 0.104964
+H	 0.5056642762	-0.6977572422	-0.9898550311	 0.131753
+19
+0 4	2.4282482	1.5023706	0.9739403	1.165	78.88	-0.2137	0.01582	0.22952	1221.2049	0.156027	-422.588618	-422.579213	-422.578269	-422.62324	34.394
+C	-1.7204116392	-0.2917965436	-3.9930252474	-0.388641
+C	-1.9659659698	 0.7481304823	-2.8977446703	 0.010545
+O	-1.3436887894	 1.9973949468	-3.2141982244	-0.416697
+C	-1.5503824846	 0.2745067848	-1.5303082226	 0.24182
+C	-1.3979658504	 0.9157177392	-0.3315247895	 0.155113
+C	-1.6331583015	 2.3650860296	-0.0276303228	-0.517111
+C	-0.9860641375	-0.0974230296	 0.6013932064	-0.258178
+C	-0.9238836802	-1.2614011177	-0.0918305282	-0.027154
+O	-1.2605903329	-1.056916259	-1.3899729831	-0.182812
+H	-2.2877762947	-1.2070813563	-3.8058369389	 0.127296
+H	-2.0247978368	 0.1276964637	-4.9547324671	 0.120759
+H	-0.6603998735	-0.5606552273	-4.0466706783	 0.114631
+H	-3.0358966116	 0.9938841123	-2.8863692639	 0.105295
+H	-0.3936939849	 1.8777278551	-3.1003266373	 0.276645
+H	-0.7834314479	 2.7985715311	 0.5118644415	 0.122598
+H	-1.7804012046	 2.9356620244	-0.9457255082	 0.149375
+H	-2.5157079345	 2.4997468011	 0.6092798004	 0.126453
+H	-0.7673688729	 0.0392934799	 1.6497303437	 0.108153
+H	-0.6661881133	-2.2742101168	 0.1713360403	 0.131909
+19
+0 5	2.5380186	1.4140995	0.9536975	1.0674	78.38	-0.21149	0.01679	0.22828	1237.6017	0.156107	-422.590889	-422.581568	-422.580624	-422.625196	34.327
+C	 0.1565871054	-2.9849797109	-2.4871705961	-0.397217
+C	-0.5226725839	-1.6735643388	-2.8871462067	 0.01443
+O	 0.2537812606	-0.9824332442	-3.8740449556	-0.42068
+C	-0.8412122797	-0.7848142812	-1.7072068565	 0.128119
+C	-1.2561962595	 0.519273783	-1.7595177983	 0.273243
+C	-1.5412493516	 1.4615142691	-2.8747487898	-0.503599
+O	-1.4494406347	 0.996521529	-0.496263091	-0.175504
+C	-1.1615837657	-0.0106385651	 0.3705867786	-0.025872
+C	-0.7835602638	-1.1212422846	-0.3079488345	-0.28585
+H	 1.0866538967	-2.7939363512	-1.9398420154	 0.111678
+H	-0.4938125952	-3.593075729	-1.850465698	 0.118448
+H	 0.3964144587	-3.5579604811	-3.3860317283	 0.122713
+H	-1.4506237584	-1.918628434	-3.4195228962	 0.098815
+H	 1.0127390202	-0.6014819626	-3.4175020702	 0.274979
+H	-2.6157430558	 1.6612074898	-2.9684034453	 0.133331
+H	-1.0457590308	 2.424890494	-2.7116423304	 0.133064
+H	-1.1783097708	 1.0339711625	-3.8098379151	 0.158399
+H	-1.2675827856	 0.2250746881	 1.4164829494	 0.131818
+H	-0.4965167461	-2.0663745328	 0.1248878195	 0.109685
+19
+0 6	4.0319511	0.9224262	0.8974237	1.9674	78.88	-0.19836	0.02641	0.22477	1389.1963	0.155838	-422.585648	-422.576153	-422.575209	-422.620152	34.72
+C	-1.2952899308	 3.9184316818	-1.16825096	-0.383177
+C	-1.825682119	 3.0359904487	-0.0219005725	-0.086513
+C	-1.3968158368	 3.5919096289	 1.3496435826	-0.383175
+C	-1.4038227856	 1.6105875826	-0.1897128781	 0.430927
+C	-2.0952781501	 0.4496861943	-0.3680950663	-0.45797
+C	-1.1130826326	-0.5922628164	-0.4635638051	 0.309503
+O	-1.3175597611	-1.9254218641	-0.6445331657	-0.44085
+C	 0.1020938499	 0.004608159	-0.3371557146	-0.123317
+O	-0.0701932142	 1.3544314021	-0.1691093786	-0.196142
+H	-1.6411923494	 3.5539843507	-2.1399353429	 0.117242
+H	-1.6357142004	 4.9517698394	-1.047011128	 0.109618
+H	-0.2012210761	 3.9191766519	-1.1784445807	 0.130111
+H	-2.9215076001	 3.0347573675	-0.0662432222	 0.084583
+H	-1.8149867074	 2.9957666877	 2.1659685836	 0.117244
+H	-0.3070675509	 3.5785286955	 1.4463353243	 0.130115
+H	-1.7369016004	 4.6255924308	 1.4688844692	 0.109614
+H	-3.1687197401	 0.3448339674	-0.4249229584	 0.101279
+H	-2.2633821696	-2.0853589615	-0.7043453902	 0.300149
+H	 1.1137464147	-0.3598728063	-0.3435669563	 0.13076
+19
+0 7	4.1381576	0.9181071	0.890079	1.6933	79.36	-0.21689	0.01767	0.23456	1410.1485	0.155825	-422.591051	-422.581494	-422.58055	-422.625815	34.524
+C	 1.7001606651	-1.3577179195	 3.0619724176	-0.398635
+C	 0.190652633	-1.2729088292	 2.8034042617	 0.015397
+O	-0.4044302481	-2.5716852816	 2.8114694111	-0.429054
+C	-0.1321987676	-0.5330336831	 1.5442454425	 0.39861
+C	-0.8405520897	 0.5892270971	 1.2555772717	-0.403719
+C	-0.7949544784	 0.7638230001	-0.1732231954	 0.266725
+C	-1.4258041507	 1.8584358362	-0.9761264364	-0.499405
+C	-0.0599308168	-0.2814122815	-0.6351558016	-0.116664
+O	 0.3564165597	-1.0789012055	 0.3900718402	-0.205153
+H	 1.8853440294	-1.9302722336	 3.9744778923	 0.122311
+H	 2.2041548218	-1.8553454165	 2.2272270087	 0.121882
+H	 2.1356949008	-0.3596899676	 3.1726609615	 0.118569
+H	-0.2893355637	-0.735400055	 3.6276328908	 0.100065
+H	-0.1118867702	-3.0211400785	 2.0106212894	 0.284658
+H	-1.3443509747	 1.2229635822	 1.9699626486	 0.108051
+H	-1.0445543158	 2.8428368814	-0.6817123917	 0.130501
+H	-1.227680368	 1.7304458923	-2.0439093186	 0.124653
+H	-2.5127946016	 1.8809895369	-0.8386803371	 0.131804
+H	 0.2448806954	-0.5886086146	-1.6224987853	 0.129405
+19
+0 8	3.1814682	1.0646905	0.9559594	1.8513	79.77	-0.21153	0.01646	0.22799	1327.4894	0.155718	-422.594906	-422.585354	-422.58441	-422.629688	34.488
+C	-2.0300881773	 1.1265142148	-1.3341437133	-0.398069
+C	-2.0041997384	-0.3675751982	-0.9867027836	 0.010765
+O	-3.0493245453	-0.6961555794	-0.0687263967	-0.429393
+C	-0.6704971132	-0.8136487542	-0.4801082643	 0.363612
+C	 0.254372576	-1.7158676042	-0.8969299424	-0.282074
+C	 1.3239185586	-1.6755946903	 0.0585553869	-0.256521
+C	 0.9746204358	-0.7559000262	 0.996976755	 0.347573
+C	 1.6249987728	-0.2535922389	 2.2352206892	-0.492765
+O	-0.2411726076	-0.2173568722	 0.6773236929	-0.23342
+H	-1.7732038609	 1.7278891745	-0.4560834316	 0.119949
+H	-1.3089917341	 1.3577322229	-2.1244207955	 0.118319
+H	-3.0308060111	 1.4090147867	-1.6712388506	 0.121855
+H	-2.2214614118	-0.9527687839	-1.8862030607	 0.099748
+H	-2.8076052137	-0.3118946232	 0.7813839718	 0.283423
+H	 0.1836342401	-2.3379103089	-1.7757377086	 0.109484
+H	 2.231727341	-2.2587899167	 0.0495484493	 0.106882
+H	 2.5860943536	-0.752852075	 2.3761541296	 0.136719
+H	 1.8040935223	 0.8267904723	 2.1880320363	 0.137121
+H	 1.0082197532	-0.4437502397	 3.1212937964	 0.136792
+19
+0 9	3.6403997	0.9393014	0.8768375	1.8808	79.16	-0.21648	0.01663	0.23311	1411.4237	0.155594	-422.591501	-422.581834	-422.58089	-422.626479	34.665
+C	-0.1083172922	 3.7574426	-3.3387736814	-0.393112
+C	-0.6744407172	 4.1106270998	-1.9593121516	 0.008045
+O	 0.1300935278	 5.1075085993	-1.3205613879	-0.427899
+C	-0.8666405983	 2.9028806691	-1.0847749077	 0.271379
+C	-1.9942723465	 2.5478461177	-0.4161146402	-0.132724
+O	-1.7985958334	 1.4076956956	 0.3014777357	-0.181651
+C	-0.5076891483	 1.0172651404	 0.0952213805	 0.383147
+C	-0.0638883288	-0.2202126477	 0.7889487464	-0.488413
+C	 0.1058113436	 1.8934752392	-0.7448541236	-0.40547
+H	-0.7753083399	 3.0743056354	-3.8739824752	 0.118333
+H	 0.0192465603	 4.6674668626	-3.9310317087	 0.121643
+H	 0.8689378233	 3.2698778833	-3.2476489427	 0.10816
+H	-1.6474487256	 4.5968913019	-2.0929852769	 0.087818
+H	 0.9332760317	 4.6764414509	-1.0096844131	 0.277234
+H	-2.978207416	 2.9829736174	-0.351041542	 0.134951
+H	-0.1517245883	-0.1237736612	 1.8770398677	 0.140036
+H	-0.6638901711	-1.0866285824	 0.4884084316	 0.139602
+H	 0.9808311666	-0.4270754369	 0.54703971	 0.134834
+H	 1.126822092	 1.8217259456	-1.088986851	 0.104086
+19
+0 10	2.4490487	1.3356107	0.9812628	1.5814	77.41	-0.21916	0.02141	0.24057	1245.4641	0.156167	-422.588909	-422.579551	-422.578607	-422.623141	34.282
+C	-1.1551914597	 0.8712479111	-2.0204789112	-0.373592
+C	-1.7028283893	 1.2719082465	-0.649826041	 0.024775
+O	-2.8099255133	 0.4109851264	-0.3944926746	-0.429
+C	-0.6698231935	 1.1733692118	 0.4399351083	 0.125607
+C	-0.5054978573	 0.1308874467	 1.2990552198	-0.106255
+O	 0.5201533167	 0.3677467343	 2.1585728612	-0.14977
+C	 1.0209627337	 1.5899845503	 1.8361686781	-0.091774
+C	 0.3414855722	 2.142774406	 0.7963572054	 0.134028
+C	 0.5888523633	 3.4777467126	 0.1639068818	-0.50856
+H	-0.806562598	-0.1648149644	-1.9926428228	 0.126695
+H	-1.9396241113	 0.9594114176	-2.777328589	 0.121935
+H	-0.3170933018	 1.513080299	-2.3056397583	 0.117154
+H	-2.0472526097	 2.3184293378	-0.7126428635	 0.065473
+H	-3.1367004225	 0.6177697434	 0.4876862512	 0.279134
+H	-1.0175282108	-0.8090118745	 1.4171487681	 0.14269
+H	 1.8491953008	 1.9323739163	 2.4355828186	 0.133429
+H	 1.3906730209	 4.0127463504	 0.6802191698	 0.126187
+H	 0.878567473	 3.3841377198	-0.8891173425	 0.132061
+H	-0.3054941935	 4.1112667389	 0.1934084605	 0.129782
+19
+0 11	4.1200426	0.9620429	0.9330492	1.2676	78.97	-0.20061	0.02969	0.2303	1335.087	0.155781	-422.578059	-422.568914	-422.56797	-422.613299	33.29
+C	 2.2675234095	 1.2768267992	-5.7329746273	-0.392588
+C	 1.5630238364	 1.7303782485	-4.4644758776	 0.125615
+C	 0.077093006	 2.0102854052	-4.6634884595	-0.393333
+O	 1.7439929878	 0.6503281176	-3.5070237536	-0.288777
+C	 1.4847667353	 0.9227014756	-2.2265157534	 0.431075
+C	 0.744756473	 0.2622048412	-1.2964577248	-0.308678
+C	 0.939490932	 0.9772830615	-0.0655369438	-0.166475
+C	 1.7655130055	 2.0140946798	-0.3466945216	-0.019919
+O	 2.1187225748	 1.9931396038	-1.6703709141	-0.1846
+H	 3.3224940022	 1.0717543618	-5.5344156318	 0.128649
+H	 1.8053813014	 0.3641175631	-6.1218118007	 0.126522
+H	 2.2006550986	 2.0528694036	-6.5008982433	 0.118064
+H	 2.0593199662	 2.6207181069	-4.0627640966	 0.102617
+H	-0.4024244427	 2.2715260109	-3.7158452348	 0.13153
+H	-0.060847234	 2.8456895857	-5.3569064187	 0.118192
+H	-0.427023358	 1.1300307379	-5.0747124163	 0.124138
+H	 0.1458016508	-0.6158933598	-1.4713100834	 0.109025
+H	 0.5086915844	 0.7459731602	 0.8961438827	 0.108686
+H	 2.1780686708	 2.8236768874	 0.2308645486	 0.130259
+19
+0 12	4.2859655	0.964075	0.8300358	1.9721	78.91	-0.22165	0.01179	0.23344	1400.0528	0.156973	-422.590913	-422.58205	-422.581106	-422.624982	32.987
+C	 3.3325073288	 2.4069979194	 5.3300745577	-0.384097
+C	 2.7479751336	 2.5610038162	 3.9316460525	 0.148581
+O	 1.6963109282	 3.5084950349	 4.028871123	-0.442671
+C	 2.240811492	 1.2109016983	 3.3723337303	-0.329339
+C	 1.8096313597	 1.2762017913	 1.9483067552	 0.359567
+C	 2.2265476653	 0.6666007238	 0.8061362222	-0.268278
+C	 1.4156199359	 1.1790052426	-0.261038786	-0.170112
+C	 0.5634212776	 2.0667709582	 0.3061911142	-0.022661
+O	 0.7843543685	 2.1402044704	 1.6508571067	-0.192676
+H	 4.2078335409	 1.7506491855	 5.3202724084	 0.108395
+H	 3.6336474685	 3.3843891916	 5.716002749	 0.125706
+H	 2.5855178182	 1.9880616604	 6.0120804444	 0.120578
+H	 3.5350244142	 2.9323026242	 3.2530331425	 0.064968
+H	 1.2304704152	 3.5214313863	 3.1850832488	 0.290199
+H	 3.036111925	 0.4622558801	 3.445403332	 0.112357
+H	 1.4126098946	 0.8756633041	 4.0106681653	 0.120222
+H	 3.0174672977	-0.063308199	 0.7310084362	 0.108996
+H	 1.4639884287	 0.9145154982	-1.3056171166	 0.114205
+H	-0.2243264226	 2.6965892835	-0.0721893558	 0.13606
+19
+0 13	4.2277609	0.9406156	0.8454208	1.1432	77.97	-0.20521	0.02535	0.23056000000000001	1407.8474	0.156174	-422.5711	-422.562123	-422.561179	-422.605088	33.258
+C	-3.3498728307	 1.3226588059	 2.0368218918	-0.392774
+C	-1.8856836096	 0.9068072341	 1.9880775752	 0.137432
+C	-1.1951901771	 1.0217321076	 3.3471076017	-0.395552
+O	-1.2595605538	 1.7681583852	 1.0237708405	-0.282469
+C	-0.1027744346	 1.3448233565	 0.4700330712	 0.3197
+C	 0.6089192029	 0.1900701133	 0.6395748354	-0.15324
+O	 1.7142833193	 0.2111217929	-0.1705165533	-0.150829
+C	 1.6922755095	 1.3833825198	-0.8455617614	 0.020882
+C	 0.6098662414	 2.1253355636	-0.5006459872	-0.305115
+H	-3.9018199041	 0.6955337981	 2.7429221882	 0.116516
+H	-3.4370437603	 2.3650895451	 2.3587163567	 0.127051
+H	-3.8104188352	 1.2274310745	 1.0502438353	 0.125919
+H	-1.815061996	-0.1268790021	 1.6193024697	 0.082639
+H	-1.6508521665	 0.3318489833	 4.0643883558	 0.116361
+H	-0.131054359	 0.7853954967	 3.2727890245	 0.129499
+H	-1.2948062278	 2.0400927041	 3.735554727	 0.125289
+H	 0.4928089268	-0.6852903527	 1.2522667492	 0.129182
+H	 2.5074846861	 1.5453075718	-1.5315787851	 0.134898
+H	 0.3282768887	 3.0969113323	-0.8729104653	 0.114609
+19
+0 14	4.2641925	0.9095079	0.8175835	0.912	77.85	-0.22543	0.01157	0.237	1425.7898	0.15701	-422.587357	-422.578451	-422.577507	-422.62146	33.037
+C	-3.5005781727	 1.0245328395	 2.4701034852	-0.381822
+C	-2.0499651808	 0.770711796	 2.0826248093	 0.143992
+O	-1.2450532619	 1.4785965246	 3.0170461384	-0.437005
+C	-1.7544864416	 1.2129123059	 0.6310017559	-0.326666
+C	-0.3112310411	 1.0557628091	 0.2563239865	 0.21805
+C	 0.2604133315	 0.053505623	-0.4667420008	-0.097306
+O	 1.6066518012	 0.2253500057	-0.5652147142	-0.138305
+C	 1.9076561518	 1.3629428332	 0.1104620835	 0.005018
+C	 0.7833588964	 1.9158550978	 0.6346493583	-0.295462
+H	-3.6809756995	 0.6956670254	 3.4968121745	 0.123266
+H	-3.7270224422	 2.0939602374	 2.4100245926	 0.121815
+H	-4.1821877532	 0.4855141726	 1.8052884614	 0.11015
+H	-1.8418769763	-0.3100725374	 2.1531485402	 0.064641
+H	-0.3237808258	 1.2779784397	 2.8179989862	 0.284801
+H	-2.383755528	 0.6266156733	-0.0483286288	 0.100582
+H	-2.0541965549	 2.2626623192	 0.5265474079	 0.10877
+H	-0.13775276	-0.8151471001	-0.9655073846	 0.134168
+H	 2.9484579532	 1.6418534281	 0.1178962695	 0.138138
+H	 0.717505414	 2.8323171869	 1.200861499	 0.123175
+19
+0 15	2.1959287	1.6012072	0.9422411	0.782	81.27	-0.18724	0.03381	0.22105	1260.8839	0.154367	-422.597094	-422.586735	-422.585791	-422.632442	36.194
+C	-1.0432564649	-2.1788810294	-2.1483689915	-0.494017
+C	-1.0454630686	-0.894708177	-1.3988914011	 0.265261
+C	-1.6614496289	 0.3048136037	-1.5977970691	 0.100169
+C	-2.5823608273	 0.7308405253	-2.6964412575	-0.503255
+C	-1.2408066758	 1.1300194441	-0.4979174595	 0.13498
+O	-1.6656142861	 2.4195944169	-0.3639017023	-0.443247
+C	-0.4090782657	 0.3928445196	 0.2878794583	 0.207405
+C	 0.3379218326	 0.6664461156	 1.5416054185	-0.502786
+O	-0.2857017565	-0.8593783011	-0.2655905342	-0.226049
+H	-1.4177937663	-3.0046295207	-1.5320134537	 0.134599
+H	-1.6781004706	-2.1028917505	-3.0337085792	 0.131918
+H	-0.0332652778	-2.4505724632	-2.4772007984	 0.134598
+H	-2.7496558522	-0.0754911699	-3.4152930429	 0.118254
+H	-3.5581440382	 1.0374029737	-2.3027720864	 0.131973
+H	-2.1794385977	 1.5904667839	-3.2439728531	 0.131982
+H	-1.2761223693	 2.7998842399	 0.4296811678	 0.293542
+H	 1.4208224504	 0.5520816749	 1.4095741147	 0.137527
+H	 0.1568824031	 1.6930684266	 1.8771300523	 0.109642
+H	 0.0344695897	-0.0019352223	 2.3567014874	 0.137505
+19
+0 16	2.6168366	1.2161442	1.0463857	1.7207	77.95	-0.21281	0.02273	0.23554	1238.4575	0.156655	-422.584671	-422.575414	-422.57447	-422.619427	33.387
+C	-3.481892613	-0.167888854	 1.2376933653	-0.39951
+C	-2.4716703356	 0.8002281022	 1.8826129382	-0.150022
+C	-3.1122357239	 2.1907150558	 2.0758730659	-0.04778
+O	-2.2507568516	 3.1366857919	 2.6779070656	-0.416061
+C	-1.1970976791	 0.880512298	 1.1077682376	 0.424219
+C	 0.0984783168	 0.5804959501	 1.394834467	-0.298464
+C	 0.8610668617	 0.8785524122	 0.2168858556	-0.169443
+C	-0.0296648214	 1.3372350581	-0.6972529979	-0.019766
+O	-1.2866361308	 1.3432973487	-0.1742497188	-0.191139
+H	-4.4022646589	-0.222200096	 1.8281064851	 0.112226
+H	-3.7421883235	 0.1634260687	 0.2281249099	 0.133593
+H	-3.0627643007	-1.1748127891	 1.1630860486	 0.123396
+H	-2.2053893459	 0.4130136075	 2.8760657035	 0.077052
+H	-3.3743947596	 2.6072505112	 1.0980697747	 0.122272
+H	-4.0474074955	 2.0730709221	 2.646847954	 0.082223
+H	-1.9787208123	 2.791017964	 3.5340692761	 0.278817
+H	 0.4686279909	 0.1943940769	 2.33200904	 0.100653
+H	 1.9248460528	 0.7667517642	 0.0775798249	 0.10843
+H	 0.0545997994	 1.6840529775	-1.7137918254	 0.129305
+19
+0 17	3.9468604	0.9274732	0.9222235	1.4967	78.38	-0.22233	0.01296	0.23529	1377.0783	0.15668	-422.586328	-422.577166	-422.576222	-422.620853	33.352
+C	 1.5215652956	-0.9424927285	 1.0082199699	-0.385716
+C	 1.1338221734	-0.054747973	-0.1755342296	-0.18414
+C	 1.6348772175	 1.3932330646	-0.0217735842	 0.001313
+O	 3.0510034166	 1.4387569934	 0.1663414991	-0.430443
+C	 1.2107265167	 2.2642365053	-1.1602231842	 0.386107
+C	 0.4211379498	 3.3645958137	-1.2760983304	-0.291053
+C	 0.4310343365	 3.7331516108	-2.6625975632	-0.168621
+C	 1.2318172536	 2.8318620439	-3.2842582612	-0.021788
+O	 1.712549839	 1.9263508719	-2.388138567	-0.198435
+H	 1.1932400051	-1.9741652664	 0.8507604742	 0.109122
+H	 2.6049722241	-0.9406829001	 1.1505492439	 0.130663
+H	 1.0634698064	-0.5840338439	 1.9370419989	 0.112278
+H	 1.5410581608	-0.4636957873	-1.109129135	 0.100545
+H	 0.0442250356	-0.0320350475	-0.299416108	 0.100245
+H	 1.2117307609	 1.8225880853	 0.8935201263	 0.097311
+H	 3.4549442558	 1.2336306972	-0.6845267361	 0.285634
+H	-0.1024338961	 3.8578575182	-0.4720665445	 0.110784
+H	-0.0851280684	 4.5596345455	-3.125157583	 0.113269
+H	 1.551881127	 2.6957653868	-4.3039918459	 0.132924
+19
+0 18	3.7721566	1.0496352	0.8724348	0.9048	78.86	-0.21271	0.02254	0.23525000000000001	1352.8865	0.156049	-422.569078	-422.559821	-422.558877	-422.604005	33.043
+C	 1.4929953624	-0.2245730229	 0.8353973894	-0.233226
+O	 0.1037491291	-0.1559993747	 0.6128325248	-0.241909
+C	-0.4816008091	 1.0966354514	 0.9257605492	 0.017668
+C	-0.2377016682	 2.1481823701	-0.1664797574	-0.401275
+C	-1.9414571384	 0.8279921256	 1.1289927942	 0.357445
+C	-2.6896161101	-0.3058928792	 1.1098047418	-0.261042
+C	-4.0383707606	 0.0990769271	 1.3866127017	-0.176265
+C	-4.0021808136	 1.4446043794	 1.5538368131	-0.024601
+O	-2.7292950024	 1.9076276111	 1.3986385047	-0.191516
+H	 1.7496839299	 0.0190002672	 1.8782195057	 0.106798
+H	 1.7980015336	-1.2533258783	 0.6290502023	 0.129334
+H	 2.0614659589	 0.4454952666	 0.1746267721	 0.10902
+H	-0.0542641024	 1.4724630951	 1.8731478268	 0.079084
+H	-0.7696634912	 3.0712337953	 0.0776414326	 0.1336
+H	 0.8266190496	 2.3821108084	-0.2586588121	 0.113336
+H	-0.6030613495	 1.7758168149	-1.127564666	 0.12879
+H	-2.319716494	-1.2996940736	 0.921606484	 0.116987
+H	-4.9109847518	-0.5319256903	 1.4514234571	 0.108604
+H	-4.7456956122	 2.1920764068	 1.7752049159	 0.129167
+19
+0 19	2.618057	1.2001214	0.9800681	1.733	77.03	-0.2295	0.0115	0.24100000000000002	1262.7114	0.157129	-422.584135	-422.575104	-422.57416	-422.61861	33.094
+C	-2.5329324889	 2.3622391264	-0.6446949594	-0.403009
+C	-1.7593114227	 1.9869772792	 0.6272293925	-0.118038
+C	-1.6556376511	 3.1954219148	 1.5827878915	-0.047414
+O	-1.0598755654	 2.8667777304	 2.8203070634	-0.425372
+C	-0.3887532307	 1.4381373569	 0.3307173783	 0.228002
+C	 0.2130119407	 0.3743101976	 0.9349461344	-0.115193
+O	 1.4682756018	 0.1767645373	 0.4483362798	-0.14081
+C	 1.6802031083	 1.140833721	-0.4840993631	 0.007972
+C	 0.5912876825	 1.9418899041	-0.6003954889	-0.288416
+H	-2.6227070544	 1.5059259325	-1.318718648	 0.1238
+H	-3.5412766047	 2.708480957	-0.396312656	 0.11647
+H	-2.0321185047	 3.1675901515	-1.1926627041	 0.117927
+H	-2.3203410187	 1.2140657779	 1.1669561308	 0.084994
+H	-1.1145995234	 4.0125526023	 1.0759484118	 0.081953
+H	-2.6608304522	 3.5628602205	 1.8160179275	 0.104496
+H	-0.2097457338	 2.4553076562	 2.6228762969	 0.278408
+H	-0.1191749355	-0.330085901	 1.6802563607	 0.142367
+H	 2.6426969363	 1.1197505007	-0.9682383395	 0.138356
+H	 0.4880901066	 2.7830531348	-1.2679578086	 0.113506
+19
+0 20	3.9317213	0.9053996	0.8602249	1.7971	77.61	-0.21999	0.02181	0.2418	1416.9047	0.156697	-422.58251	-422.573374	-422.57243	-422.617053	33.34
+C	 1.317651414	-0.89664727	-1.0829531744	-0.409085
+C	 1.0374937963	 0.0056735067	 0.1223173955	-0.171251
+C	 1.7389633617	 1.3759596035	 0.0447126369	-0.022658
+O	 1.3235779297	 2.1171536693	-1.1020589682	-0.43824
+C	 1.4353450653	 2.2213906038	 1.2440225069	 0.293681
+C	 2.2388079039	 2.4626568098	 2.3135713306	-0.120523
+O	 1.6077977029	 3.2455879307	 3.2289396818	-0.147328
+C	 0.3738255492	 3.5170594246	 2.7251333096	 0.003852
+C	 0.2079321777	 2.9197135738	 1.5188568485	-0.276008
+H	 0.8473762253	-1.8761897636	-0.9568530205	 0.122251
+H	 0.918107538	-0.4710392972	-2.0105497242	 0.112133
+H	 2.3930164778	-1.0612011853	-1.2200973846	 0.116059
+H	-0.0410429685	 0.1736434724	 0.2237959898	 0.105995
+H	 1.3688061395	-0.4899756438	 1.0422487012	 0.101324
+H	 2.8276180387	 1.2001656063	 0.0065321453	 0.062551
+H	 1.5394148572	 1.5974431034	-1.8824720254	 0.283887
+H	 3.2432430043	 2.1630338306	 2.5646362235	 0.132196
+H	-0.2515135156	 4.1458892788	 3.337115832	 0.133768
+H	-0.6587772174	 2.9746264261	 0.8801006256	 0.117396
+19
+0 21	3.7404996	0.9382252	0.9090222	1.3308	78.02	-0.22146	0.0214	0.24286	1376.5034	0.156096	-422.566624	-422.557365	-422.556421	-422.601709	33.026
+C	 1.4429454237	-0.1821646939	 0.0116313533	-0.229631
+O	 0.0622825453	 0.0932378884	 0.0053997041	-0.247831
+C	-0.4024185229	 0.8474922855	 1.1220594648	-0.003803
+C	 0.0022999715	 2.3260328256	 1.0194138767	-0.398899
+C	-1.8920245526	 0.6795375563	 1.1692286118	 0.276782
+C	-2.6508629825	 0.335522435	 2.2428811201	-0.120632
+O	-3.9707405157	 0.3074502754	 1.9169310769	-0.146778
+C	-4.053546064	 0.634527483	 0.599230587	 0.004552
+C	-2.8206782113	 0.8752084455	 0.0879030102	-0.276588
+H	 1.7532530285	-0.680957755	 0.9437817868	 0.102124
+H	 1.637822277	-0.8560001283	-0.8266219476	 0.127693
+H	 2.0613145423	 0.7181894739	-0.1176179337	 0.105359
+H	 0.0290939016	 0.4271610668	 2.0461196706	 0.063668
+H	-0.3901980231	 2.8829877589	 1.8750680949	 0.121288
+H	 1.0896739671	 2.4448319868	 1.0088138653	 0.11351
+H	-0.4050579813	 2.7661669041	 0.104512681	 0.125692
+H	-2.414138752	 0.0914981839	 3.2656870992	 0.132888
+H	-5.0473397231	 0.6447898675	 0.1829853257	 0.134111
+H	-2.5809469087	 1.1374877805	-0.930054797	 0.116494
+19
+0 22	2.8541059	1.2434947	0.9125814	1.529	79.54	-0.21108	0.01742	0.22849999999999998	1294.6487	0.155906	-422.588556	-422.578821	-422.577877	-422.623351	34.694
+C	 2.0926651954	 0.7879424023	 4.8790024543	-0.502206
+C	 1.8298115722	 0.5375762244	 3.4271050229	 0.188482
+C	 2.7458130659	 0.4040056172	 2.4317730682	-0.132246
+O	 2.1396407644	 0.1783800589	 1.2366562548	-0.183434
+C	 0.7921752072	 0.1762280432	 1.469021087	 0.224526
+C	-0.0863150756	-0.0591188457	 0.2821833572	-0.171128
+O	-1.0882995938	-1.0456153847	 0.5110918766	-0.406621
+C	 0.5411714337	 0.3871408352	 2.7943365173	 0.077249
+C	-0.7979593832	 0.4630255393	 3.4623169742	-0.518005
+H	 1.6844859533	-0.0128509989	 5.5070621187	 0.128277
+H	 3.165230866	 0.8542753271	 5.0813194812	 0.12453
+H	 1.6312065445	 1.7230268976	 5.217537626	 0.129283
+H	 3.8233672958	 0.4390763913	 2.4140409351	 0.129788
+H	-0.6420329601	 0.8461906737	 0.0122790364	 0.123635
+H	 0.5560095905	-0.3139332214	-0.5735329622	 0.110465
+H	-0.6452071385	-1.8252663726	 0.862887204	 0.282027
+H	-0.8378544971	-0.1808587436	 4.3487607047	 0.122604
+H	-1.0233671994	 1.4816198456	 3.8017615619	 0.125475
+H	-1.5888303612	 0.1447571211	 2.7801850219	 0.147301
+19
+0 23	3.042786	1.1801622	0.9075671	1.0168	80.04	-0.1956	0.03024	0.22583999999999999	1329.3759	0.155585	-422.588546	-422.578757	-422.577812	-422.623551	34.986
+C	 1.4017165845	-0.8850567056	 0.0396006513	-0.365039
+C	 0.6591057116	 0.4611947186	-0.0320154105	-0.30628
+C	 1.5547110568	 1.6323308472	-0.2352626526	 0.242193
+C	 1.7100035934	 2.5432542485	-1.2387360164	 0.103528
+O	 1.0428564393	 2.6672069481	-2.4217151983	-0.442658
+C	 2.7621345269	 3.4465697481	-0.8610025571	 0.191316
+C	 3.2681863406	 4.6047384322	-1.6590871205	-0.497875
+C	 3.1695915869	 3.0056558952	 0.357958578	-0.113209
+O	 2.4611642436	 1.9177121786	 0.7572874694	-0.193302
+H	 2.1293054596	-0.8756213725	 0.8556048342	 0.134508
+H	 0.702286872	-1.7085256171	 0.2142487687	 0.110494
+H	 1.9436930674	-1.0833548499	-0.8900686993	 0.118964
+H	-0.0702086696	 0.436938205	-0.8525002245	 0.08812
+H	 0.0699903094	 0.5976772227	 0.8850430212	 0.119879
+H	 0.3755773401	 1.9761797574	-2.4818781867	 0.294948
+H	 4.071945075	 5.1250317081	-1.1311644133	 0.120476
+H	 3.6555743255	 4.2810809209	-2.6315905763	 0.133108
+H	 2.4711781694	 5.328917249	-1.8612897853	 0.133287
+H	 3.9265825777	 3.3523316555	 1.042886118	 0.127542
+19
+0 24	3.0704478	1.2424418	0.9192058	0.937	80.08	-0.19229	0.03765	0.22993999999999998	1302.3162	0.155103	-422.57624	-422.566294	-422.565349	-422.611659	34.7
+C	 1.1285015855	-0.6499819712	 0.0216522534	-0.252632
+O	 1.0724042947	 0.7757542876	 0.1106579575	-0.26844
+C	 0.3607975316	 1.2721851022	 1.1324684169	 0.361293
+C	-0.512513992	 2.313802284	 1.1710497007	 0.021435
+C	-0.9755544294	 3.1410723535	 0.014253878	-0.509762
+C	-0.8847664509	 2.4405861379	 2.5647302908	 0.191079
+C	-1.8303369012	 3.4445675838	 3.1443879561	-0.500585
+C	-0.2156004894	 1.4647933646	 3.2278089264	-0.130386
+O	 0.5637694259	 0.7362166454	 2.3644330313	-0.195622
+H	 0.1211754973	-1.0750690976	-0.0630985437	 0.123261
+H	 1.6996847499	-0.8745629777	-0.8802359603	 0.135014
+H	 1.631021178	-1.0806237603	 0.8926369706	 0.139752
+H	-0.5596324445	 2.7554350242	-0.9199929524	 0.132581
+H	-2.0684977927	 3.1387470714	-0.0758842998	 0.121484
+H	-0.6654925484	 4.1890089799	 0.1089727523	 0.124604
+H	-1.941435923	 3.3055908553	 4.2234037952	 0.123397
+H	-1.483222301	 4.4706067218	 2.9738692064	 0.128171
+H	-2.8269942802	 3.3676718818	 2.6935899282	 0.126852
+H	-0.1869036402	 1.1529950735	 4.2585136324	 0.128504
+19
+0 25	2.2738118	1.3207071	0.8905322	2.268	81.35	-0.20959	0.01447	0.22406	1339.7293	0.155595	-422.593209	-422.583373	-422.582429	-422.628315	34.796
+C	 4.370598618	-0.0551649064	-2.1557176343	-0.491311
+C	 3.4655398705	-0.0160427768	-0.977046672	 0.361091
+C	 3.6787285341	 0.0161415588	 0.3656728113	-0.364492
+C	 2.3869090994	 0.0454309688	 0.9964621167	 0.1823
+C	 2.1228040754	 0.0887315583	 2.4705689253	-0.506939
+C	 1.4776077539	 0.0322159425	-0.022968443	 0.211513
+C	-0.0082534042	 0.0099619696	-0.0702192029	-0.170238
+O	-0.5546087002	-1.2529301196	-0.4489275627	-0.412722
+O	 2.1294602257	-0.006052588	-1.2294882632	-0.208612
+H	 5.4116545581	-0.0639276204	-1.8257821355	 0.13394
+H	 4.1949616865	-0.948473466	-2.7657208562	 0.140051
+H	 4.2224366225	 0.8158358945	-2.8042033639	 0.138975
+H	 4.6398290505	 0.020349419	 0.8578072111	 0.102892
+H	 2.5542775134	-0.7813658193	 2.9789038157	 0.129513
+H	 2.5691016951	 0.9786662183	 2.9290543642	 0.132204
+H	 1.052578097	 0.1046771933	 2.6926118129	 0.124537
+H	-0.3955975595	 0.3378442216	 0.9054111716	 0.097057
+H	-0.3741882716	 0.7167571053	-0.822105622	 0.122729
+H	-0.1418790845	-1.9191932834	 0.1107268069	 0.277512
+19
+0 26	2.2283842	1.35983	0.8943413	0.8952	80.89	-0.19038	0.02804	0.21842	1337.3089	0.155489	-422.591489	-422.581761	-422.580817	-422.626308	34.957
+C	 1.5817087967	-0.8192131975	 0.0055559581	-0.364518
+C	 0.7864205357	 0.4958065654	 0.0934204278	-0.309
+C	 1.5950650999	 1.7097785332	-0.2002010762	 0.205684
+C	 1.5666395937	 2.6551500808	-1.183121074	 0.23146
+O	 0.7252474713	 2.77937674	-2.2473980923	-0.442234
+C	 2.6294074436	 3.5786348307	-0.9208925229	-0.356322
+C	 3.242539103	 3.1347562351	 0.2090210539	 0.370386
+C	 4.3971700801	 3.6332591558	 1.0014214827	-0.491616
+O	 2.6310192592	 2.0058401486	 0.6595045589	-0.222817
+H	 0.9494476016	-1.6767258929	 0.2562471879	 0.109898
+H	 1.9825815503	-0.9678670928	-1.001691294	 0.118717
+H	 2.4246015002	-0.8010239126	 0.7017554707	 0.132609
+H	-0.0568609374	 0.4643690138	-0.6091185411	 0.08803
+H	 0.3366462002	 0.5784820469	 1.0924175519	 0.118139
+H	 0.0888857364	 2.0573788176	-2.229772834	 0.29455
+H	 2.8858798946	 4.448331645	-1.5044290538	 0.110537
+H	 4.1058065427	 3.8704253727	 2.0312056721	 0.136162
+H	 5.200701413	 2.8894404216	 1.0534436002	 0.135799
+H	 4.7993806951	 4.5391644888	 0.5427479244	 0.134536
+19
+0 27	2.2624714	1.4377276	0.9155843	1.1564	81.4	-0.18941	0.03446	0.22386999999999999	1311.1305	0.155044	-422.578945	-422.569012	-422.568067	-422.614323	34.62
+C	 1.5078028083	-0.3307984911	 0.278748998	-0.252651
+O	 0.2423616831	 0.2838850578	 0.0215004722	-0.269706
+C	-0.2941339513	 0.9592528758	 1.0484925563	 0.323407
+C	-0.8199251784	 2.2105547315	 1.1096860994	 0.149839
+C	-0.8559415322	 3.2248631546	 0.0110016833	-0.506738
+C	-1.3297368205	 2.324237343	 2.4547594276	-0.370859
+C	-1.0666891676	 1.1575488697	 3.096051617	 0.366321
+C	-1.3105964715	 0.6601742949	 4.4741696759	-0.487197
+O	-0.4303292199	 0.2968691047	 2.2336747212	-0.225339
+H	 1.4243894385	-1.0926527028	 1.0596951102	 0.137507
+H	 1.8157201216	-0.798125829	-0.6578347499	 0.13434
+H	 2.2498249262	 0.4187138842	 0.5797270466	 0.121472
+H	-0.3710911002	 4.1617893954	 0.309257641	 0.122376
+H	-0.3421011951	 2.8453019936	-0.8758764645	 0.130737
+H	-1.8835880757	 3.4736579282	-0.2794919268	 0.125665
+H	-1.8246701158	 3.182990276	 2.8837424649	 0.101165
+H	-1.9372987824	-0.2395362864	 4.4776971856	 0.134431
+H	-0.3749208181	 0.4068948738	 4.9870114989	 0.13189
+H	-1.8193266491	 1.4312474762	 5.0574159431	 0.133339
+19
+0 28	3.1422024	1.1243135	0.8653636	1.498	80.77	-0.20284	0.01895	0.22179	1356.6125	0.155828	-422.593233	-422.583534	-422.58259	-422.627938	34.656
+C	 4.1708305442	 0.3128118743	 3.0485926241	-0.490625
+C	 2.8038427796	 0.2345698573	 2.4705184908	 0.358364
+C	 2.3188688298	-0.0880560995	 1.2435389623	-0.385784
+C	 0.8857320581	 0.0192599226	 1.3144433592	 0.135963
+C	-0.086053927	-0.2362107525	 0.1968860135	-0.173139
+O	-1.2501617643	-0.9539494347	 0.5992445195	-0.407373
+C	 0.6021186428	 0.4023244412	 2.5947007243	 0.259519
+C	-0.6618761344	 0.7001531532	 3.3195217887	-0.505112
+O	 1.7634261183	 0.5315503991	 3.3045912343	-0.213434
+H	 4.292209694	-0.373909209	 3.8943963774	 0.135702
+H	 4.9097622722	 0.051428577	 2.287860974	 0.133795
+H	 4.3976243729	 1.3213111397	 3.4135263156	 0.136612
+H	 2.9031460444	-0.3733053524	 0.3812615023	 0.103528
+H	-0.4664819569	 0.7025009162	-0.2226724723	 0.119893
+H	 0.4359303914	-0.7575025996	-0.6204713192	 0.094268
+H	-0.9474623153	-1.7371527078	 1.0713948006	 0.279826
+H	-0.7184999546	 0.1455837433	 4.263063785	 0.130916
+H	-0.7462078531	 1.7659653637	 3.5649460763	 0.131863
+H	-1.508888492	 0.4147242777	 2.6941589936	 0.155219
+19
+0 29	2.4079701	1.3397091	0.8749593	1.5069	82.01	-0.18416	0.02774	0.21189999999999998	1345.8874	0.154971	-422.575811	-422.56587	-422.564926	-422.611208	34.655
+C	 1.4197135489	-0.5886991627	 0.0914548124	-0.244885
+O	 0.7238813098	 0.6377854717	-0.0026140664	-0.268698
+C	-0.0091623006	 0.9962404395	 1.0855892146	 0.256747
+C	-0.7370773005	 2.1477245081	 1.1544301493	 0.228902
+C	-0.9577403802	 3.2619891528	 0.2012388315	-0.500477
+O	-1.3529309288	 2.2038384798	 2.3805684676	-0.214812
+C	-1.0120312414	 1.0895196108	 3.0797441925	 0.37332
+C	-1.5781128955	 0.9524164534	 4.44736747	-0.490753
+C	-0.1845999309	 0.3058973632	 2.3334875257	-0.422866
+H	 0.7338087334	-1.433977621	 0.2385108042	 0.119113
+H	 1.948205367	-0.7190666039	-0.8547675369	 0.131445
+H	 2.1501905192	-0.5787819127	 0.911745887	 0.119123
+H	-0.6147917894	 4.2227811435	 0.6043312783	 0.129563
+H	-0.4001246296	 3.0588346313	-0.7159969237	 0.143209
+H	-2.0168195859	 3.3762700424	-0.0604961661	 0.129569
+H	-1.2316370439	 0.0213005376	 4.9014290841	 0.131502
+H	-1.2738216518	 1.7828223746	 5.095197322	 0.136194
+H	-2.6741789993	 0.9378116403	 4.4309024456	 0.136189
+H	 0.2408731996	-0.6369862586	 2.6362504182	 0.107617
+19
+0 30	2.0504318	1.6063124	0.9619549	1.0441	79.4	-0.21197	0.0219	0.23387	1242.3647	0.155953	-422.59183	-422.582122	-422.581177	-422.626452	34.696
+C	 2.2569151563	 0.0776008229	 2.3894425466	-0.492463
+C	 2.3204159743	 0.0553109954	 0.9032504892	 0.272699
+C	 1.3795538389	 0.0202761279	-0.0859314309	 0.028214
+C	-0.1064176722	-0.0631088113	 0.0600086981	-0.182551
+O	-0.6483307546	-1.2663587282	-0.4888385649	-0.412904
+C	 2.1029500957	 0.0278268091	-1.3403651221	 0.191948
+C	 1.5066417928	-0.0043177999	-2.7129216473	-0.504125
+C	 3.4141017576	 0.0695479975	-0.9995319233	-0.13073
+O	 3.5680950891	 0.0900171429	 0.3571489101	-0.187261
+H	 1.2238419508	-0.0177424914	 2.7299891375	 0.1349
+H	 2.8389377669	-0.7432464177	 2.8231374187	 0.138754
+H	 2.6614454223	 1.0126246462	 2.7941285502	 0.1409
+H	-0.3942176081	 0.0528537345	 1.1157129992	 0.090107
+H	-0.5994052864	 0.7436981218	-0.4940988889	 0.114241
+H	-0.1366183594	-1.995782484	-0.1232718224	 0.279186
+H	 0.7943965397	-0.8293109177	-2.8070070163	 0.143996
+H	 0.9537343168	 0.9176681848	-2.9310591917	 0.12685
+H	 2.2784114049	-0.116327198	-3.4793426966	 0.118859
+H	 4.3263636646	 0.0858802154	-1.5736432952	 0.12938
+19
+0 31	1.9932759	1.7536601	0.9927957	1.2987	79.62	-0.20392	0.02775	0.23167	1222.8168	0.155052	-422.572063	-422.562143	-422.561199	-422.607192	34.625
+C	 1.6311009728	-0.1819837927	 0.1533001892	-0.251262
+O	 0.2365328468	 0.0596472823	 0.0080529603	-0.273845
+C	-0.3526271111	 0.6687423284	 1.0815216413	 0.104155
+C	-0.752727877	 1.9710687605	 1.1282076461	 0.275637
+C	-0.6629880819	 3.0859893663	 0.1537698799	-0.495601
+O	-1.3719083646	 2.2005655903	 2.3224255929	-0.186948
+C	-1.3542779736	 1.0316582476	 3.0234529584	-0.117977
+C	-0.7432455414	 0.042378063	 2.3219801528	 0.164914
+C	-0.5461462752	-1.3872170693	 2.7161348432	-0.506121
+H	 1.8431337868	-0.8526276924	 0.9956763591	 0.117162
+H	 1.9657012093	-0.6561035777	-0.7721929471	 0.128856
+H	 2.182555629	 0.7553029324	 0.3034776257	 0.114415
+H	-0.1806990752	 2.721870674	-0.7562679925	 0.141282
+H	-1.654144284	 3.4707669847	-0.1128606112	 0.136336
+H	-0.0788911963	 3.9269607599	 0.5454470607	 0.132652
+H	-1.8204507103	 1.061581014	 3.9950685477	 0.128507
+H	 0.5025858979	-1.6120655435	 2.9448977171	 0.126528
+H	-1.135199602	-1.6357638917	 3.6032595304	 0.124798
+H	-0.8491219302	-2.0612727859	 1.9079426661	 0.136512
+19
+0 32	1.8301952	1.6443466	0.9539187	1.0814	78.71	-0.21288	0.01426	0.22714	1263.9859	0.156932	-422.584553	-422.575243	-422.574299	-422.619358	33.491
+C	 0.9621071935	-0.5264494661	 0.7691186864	-0.371887
+C	 1.2371494763	 0.2214418997	-0.5477741194	-0.300231
+C	 1.9870467637	 1.4959307347	-0.3569160954	 0.285454
+C	 3.2517211641	 1.9069354935	-0.6799068661	 0.103686
+C	 4.3157325848	 1.1218712093	-1.3952800931	-0.176574
+O	 3.8354041666	 0.3997773994	-2.5263608019	-0.405627
+C	 3.3665188584	 3.25644511	-0.1959412278	-0.276212
+C	 2.1781882927	 3.5593039203	 0.3815895369	-0.022509
+O	 1.3268300865	 2.5030266528	 0.2887024001	-0.181664
+H	 0.3853389899	 0.0967979171	 1.4583700607	 0.127895
+H	 0.3940403221	-1.4424093833	 0.5803861836	 0.113299
+H	 1.897199351	-0.8016929175	 1.2664730135	 0.119834
+H	 1.8197949933	-0.401035377	-1.2313372141	 0.135043
+H	 0.2818420617	 0.4358025598	-1.0446232094	 0.111447
+H	 5.1332177019	 1.802420714	-1.6790708318	 0.095418
+H	 4.7549603964	 0.3593986022	-0.7417593551	 0.120964
+H	 3.3501768535	 1.0251169418	-3.0753985549	 0.280748
+H	 4.2278988831	 3.9021315444	-0.2771288976	 0.108722
+H	 1.7871460104	 4.4360053551	 0.8707665254	 0.132191
+19
+0 33	1.7822029	1.6447636	0.9500517	1.306	78.79	-0.21603	0.01206	0.22809	1272.6329	0.156849	-422.583033	-422.573667	-422.572722	-422.618156	33.513
+C	 0.792568813	-0.5829402637	-0.7103005319	-0.365789
+C	 1.0635621769	 0.242363834	 0.5594241538	-0.313111
+C	 1.7900334037	 1.52825936	 0.2846467516	 0.180498
+C	 3.100777251	 1.8084383897	 0.5525186476	 0.211069
+C	 4.204084812	 1.0369847664	 1.2031606483	-0.174732
+O	 3.8409657179	 0.489706217	 2.4677110545	-0.405622
+O	 3.4066051126	 3.0793352048	 0.1443606161	-0.17567
+C	 2.2798114733	 3.6063297139	-0.3972162959	-0.023125
+C	 1.2612539973	 2.7112019934	-0.3381119118	-0.268042
+H	 0.2513906358	-1.503171827	-0.4686094861	 0.112291
+H	 0.1923335937	-0.0176778818	-1.4305852061	 0.116556
+H	 1.7288146377	-0.8590033901	-1.2054854937	 0.118746
+H	 0.1073667978	 0.4642424697	 1.050380885	 0.102776
+H	 1.6473577262	-0.3480381247	 1.2715298141	 0.125041
+H	 4.4944804031	 0.1715720206	 0.5973472966	 0.12435
+H	 5.0831231035	 1.6938416794	 1.2757514578	 0.111028
+H	 3.4709997196	 1.2066421241	 2.9940129677	 0.282523
+H	 2.3657223	 4.6137877929	-0.7702112936	 0.133051
+H	 0.2511078048	 2.8654144313	-0.6866474038	 0.108164
+19
+0 34	2.3868836	1.3305139	0.9072643	1.4876	80.3	-0.19233	0.02357	0.2159	1322.7053	0.156212	-422.567034	-422.557618	-422.556673	-422.602242	33.419
+C	 1.8990211582	-1.0512444807	-0.7197590546	-0.36939
+C	 0.8721528209	-0.1137279729	-0.0595315575	-0.296261
+C	 1.369677189	 1.2717379526	 0.1470484789	 0.252031
+C	 1.6314580894	 2.0117966023	 1.2658345548	 0.229246
+O	 1.4490433841	 1.5458214498	 2.5297742256	-0.26767
+C	 1.7522251331	 2.4475811306	 3.5757219498	-0.247523
+C	 2.1071905699	 3.2946397621	 0.8291035089	-0.316205
+C	 2.1002392363	 3.2360152395	-0.5290013195	-0.008955
+O	 1.6613333497	 2.0301144072	-0.958114894	-0.182881
+H	 2.7958965608	-1.1460423283	-0.1001194392	 0.120045
+H	 1.4753783834	-2.0498220509	-0.8655984248	 0.10926
+H	 2.2045368328	-0.6653325279	-1.6965569784	 0.126828
+H	-0.0411009444	-0.0930459474	-0.6695489747	 0.111331
+H	 0.5843910056	-0.5022879121	 0.9224223885	 0.122656
+H	 1.5503491729	 1.9189910263	 4.5090568689	 0.133406
+H	 2.8078390437	 2.7502359092	 3.5553994893	 0.120242
+H	 1.124210212	 3.3474496811	 3.5292092916	 0.120379
+H	 2.4070488502	 4.1347113387	 1.4336660299	 0.112408
+H	 2.3669393523	 3.9428260608	-1.2972998935	 0.131053
+19
+0 35	2.3059705	1.3760453	0.9260618	1.0177	79.56	-0.19653	0.03116	0.22769	1306.1165	0.156094	-422.570459	-422.560942	-422.559998	-422.606074	33.48
+C	 2.442698626	-0.5801882788	 1.503113389	-0.363794
+C	 1.3080477241	 0.0539827671	 0.6806021122	-0.303551
+C	 1.600967412	 1.4558100583	 0.2370182668	 0.123683
+C	 1.8805279509	 1.8712986611	-1.0291054348	 0.347935
+O	 2.0256476964	 1.168166107	-2.1603346587	-0.26853
+C	 1.4006134727	 1.7168162667	-3.3238793224	-0.252805
+O	 2.1102363929	 3.2115171213	-1.0832633084	-0.189801
+C	 1.9711972746	 3.6763413432	 0.1979531886	-0.020586
+C	 1.6734866229	 2.6548718737	 1.0358684749	-0.266826
+H	 2.6513210132	 0.0037259461	 2.4055282525	 0.11509
+H	 2.1799899941	-1.5967608262	 1.8133619152	 0.108274
+H	 3.3666374017	-0.6286076987	 0.9188131012	 0.122099
+H	 1.1152500263	-0.5593413543	-0.206012523	 0.108235
+H	 0.3851925244	 0.041290695	 1.2749190433	 0.101553
+H	 1.5725976501	 0.9983679853	-4.1264872171	 0.13609
+H	 0.3231125614	 1.8426769756	-3.1642507241	 0.124417
+H	 1.8427125092	 2.6809498829	-3.5914593525	 0.139928
+H	 2.102203155	 4.7376153574	 0.323546746	 0.131575
+H	 1.5069694222	 2.7311347173	 2.0998814412	 0.107014
+19
+0 36	3.1024711	1.0711311	0.8452778	2.019	80.98	-0.20811	0.01697	0.22508	1398.5359	0.15555	-422.593311	-422.583395	-422.582451	-422.628722	34.805
+C	 1.6863200181	 0.7207031063	 4.771105429	-0.495197
+C	 1.8287574531	 0.4095726076	 3.3240476295	 0.255344
+C	 2.8968250276	 0.211030982	 2.4988651102	 0.189424
+C	 4.3528988312	 0.2575011421	 2.846703875	-0.505745
+C	 2.3404144303	-0.0618569882	 1.1993332666	-0.37417
+C	 0.9907061006	-0.0037206984	 1.3220823169	 0.343284
+C	-0.1539507742	-0.2047707391	 0.3923454345	-0.175838
+O	-0.9203070334	-1.3703770861	 0.6834922623	-0.413512
+O	 0.6616020145	 0.2864391844	 2.6182068953	-0.230859
+H	 1.1347146909	-0.06553934	 5.2999496526	 0.135818
+H	 2.6691241697	 0.8143649396	 5.2375346072	 0.134611
+H	 1.1449937615	 1.6608252799	 4.9284614892	 0.136934
+H	 4.5097623007	 0.4842078262	 3.9045363661	 0.12232
+H	 4.8450790187	-0.699488785	 2.6380911353	 0.130666
+H	 4.8798924998	 1.0218825072	 2.2639114886	 0.129563
+H	 2.8876555205	-0.2756833132	 0.293350878	 0.108047
+H	-0.7972166221	 0.689768098	 0.3916686666	 0.099636
+H	 0.2329799321	-0.3346332136	-0.6217184807	 0.122475
+H	-1.1929154997	-1.3033214097	 1.6046824475	 0.287198
+19
+0 37	3.1243016	1.0827855	0.85397	1.6081	81.1	-0.18762	0.02763	0.21525	1392.528	0.155271	-422.591712	-422.581739	-422.580795	-422.627097	35.162
+C	 1.373059726	-0.7713861335	 0.3051616786	-0.370335
+C	 0.7632676698	 0.4681661586	-0.3725453464	-0.293992
+C	 1.4624127729	 1.7373197786	-0.0254229836	 0.388967
+C	 1.0737523452	 2.8706898656	 0.6219784846	-0.429269
+C	 2.222520252	 3.729585845	 0.6429212687	 0.231632
+O	 2.3338831549	 4.9787699055	 1.1821890168	-0.448114
+C	 3.2338753561	 3.0707452418	 0.0127979411	 0.254579
+C	 4.6440583838	 3.4222425648	-0.2828032126	-0.500634
+O	 2.7660905361	 1.844041452	-0.3985446452	-0.2236
+H	 0.8430497657	-1.6793519332	 0.0017271698	 0.111022
+H	 2.4255724612	-0.8817921623	 0.0307583961	 0.132631
+H	 1.3163168107	-0.6883797221	 1.3948033642	 0.120056
+H	 0.7801064429	 0.3269859175	-1.4614833685	 0.115583
+H	-0.2885809823	 0.5744811115	-0.0880700252	 0.110053
+H	 0.0948310582	 3.0726280106	 1.0311724239	 0.099596
+H	 1.4818379412	 5.2332395992	 1.5460836593	 0.298191
+H	 4.8481105689	 4.4252121527	 0.0995247395	 0.144315
+H	 5.3495165145	 2.7274122735	 0.1891581111	 0.129516
+H	 4.8514878723	 3.4186059542	-1.359809262	 0.129805
+19
+0 38	3.2146974	1.1570518	0.8646452	1.0399	81.35	-0.18139	0.04401	0.2254	1360.7086	0.154922	-422.578352	-422.568324	-422.56738	-422.615167	34.733
+C	 1.3221867369	-0.4776405027	 0.221232665	-0.243865
+O	 0.7428110646	 0.8103665214	 0.0325628218	-0.269937
+C	 0.0271586839	 1.3133910652	 1.0454279077	 0.454054
+C	-0.6031057229	 2.5089067329	 1.1659872624	-0.429472
+C	-1.2164461748	 2.4935313885	 2.4731256811	 0.196803
+C	-2.0293671894	 3.6021746861	 3.0664742963	-0.503293
+C	-0.9086736354	 1.2947402289	 3.0373558433	 0.243927
+C	-1.2072518598	 0.6383488588	 4.3354755481	-0.491089
+O	-0.1348949704	 0.5550315233	 2.1535321292	-0.229566
+H	 2.0169857413	-0.4810429071	 1.0676582248	 0.131811
+H	 0.55346409	-1.2386185171	 0.3910771951	 0.132587
+H	 1.8615497998	-0.6962006875	-0.7009841212	 0.13539
+H	-0.6310171356	 3.2959341775	 0.4307177417	 0.104312
+H	-2.3856408322	 3.3528079087	 4.0694597958	 0.120037
+H	-1.4466479023	 4.5277353583	 3.1422774361	 0.128017
+H	-2.9070943615	 3.8276162374	 2.4494544104	 0.12808
+H	-1.7581088232	-0.3011758548	 4.2029183865	 0.129862
+H	-0.2937466465	 0.4030118629	 4.8957244416	 0.129746
+H	-1.8179631526	 1.2987575393	 4.9551078143	 0.132596
+19
+0 39	4.020341	0.8518241	0.7756609	1.3125	79.85	-0.21715	0.01762	0.23477	1528.6291	0.15679	-422.586148	-422.576764	-422.575819	-422.621244	33.546
+C	 1.6510948977	-0.9105693464	-0.5540202542	-0.372015
+C	 0.8717030331	 0.1867061419	 0.1914168349	-0.290812
+C	 1.4676165416	 1.5439841375	 0.040786255	 0.390337
+C	 1.034178579	 2.7066889916	-0.5141969499	-0.389924
+C	 2.0890173701	 3.6723383522	-0.3455511888	 0.225013
+C	 2.0932401461	 5.0970260272	-0.8029001231	-0.172888
+O	 1.8351514737	 5.22975359	-2.1974795525	-0.413266
+C	 3.0871716029	 3.0066706987	 0.2936483784	-0.123432
+O	 2.7293976804	 1.718213066	 0.5424318135	-0.186529
+H	 1.1881648053	-1.8891987986	-0.3961199623	 0.113758
+H	 1.6737441231	-0.7115576256	-1.6297725185	 0.121213
+H	 2.6839417223	-0.959913781	-0.1987160295	 0.131979
+H	-0.1593834298	 0.2320546097	-0.1731611128	 0.115461
+H	 0.8160035754	-0.0713921917	 1.257119605	 0.117317
+H	 0.0808641891	 2.8717706601	-0.9921083397	 0.114466
+H	 1.2939969856	 5.6645635214	-0.3129796647	 0.117141
+H	 3.0456117383	 5.5729995044	-0.5214016626	 0.089527
+H	 2.4495589278	 4.6467127945	-2.6557151932	 0.280404
+H	 4.0662096883	 3.2990387481	 0.6379901149	 0.132249
+19
+0 40	4.2617915	0.8956117	0.7837924	1.8245	80.23	-0.19447	0.02439	0.21886	1501.4105	0.15621	-422.56665	-422.557262	-422.556318	-422.601683	33.476
+C	 2.3306672374	-0.4800243671	 0.5959648954	-0.370742
+C	 1.563922493	 0.653599234	 1.2990145334	-0.290351
+C	 1.9229076541	 2.0111333356	 0.7992421225	 0.402798
+C	 1.2147770906	 2.9851990374	 0.1589888017	-0.441517
+C	 2.1361357807	 4.0651463363	-0.0657131698	 0.328138
+O	 1.925161411	 5.2637171969	-0.663352334	-0.264282
+C	 0.6175987411	 5.4957827587	-1.1510478446	-0.243477
+C	 3.3323655852	 3.6684613671	 0.4516392345	-0.144435
+O	 3.206549245	 2.4134540101	 0.9816984158	-0.185209
+H	 2.0516759261	-1.4524597989	 1.0128347043	 0.111877
+H	 2.1146462019	-0.4914453596	-0.4766705521	 0.120743
+H	 3.4091648598	-0.3512638139	 0.7204695655	 0.133503
+H	 0.485750005	 0.5201788146	 1.1644603723	 0.111004
+H	 1.7535630348	 0.6006574661	 2.3792512011	 0.117193
+H	 0.1730321409	 2.9360835881	-0.1128459784	 0.108661
+H	-0.1255426155	 5.474351279	-0.3428124995	 0.120641
+H	 0.6276828323	 6.4902633562	-1.6005590127	 0.13351
+H	 0.3338959998	 4.7589785691	-1.9142191032	 0.120602
+H	 4.3001009868	 4.1324823603	 0.5186768878	 0.13134
+19
+0 41	3.9929417	0.8483133	0.7770541	1.7207	79.58	-0.2189	0.0131	0.232	1531.5112	0.156724	-422.584552	-422.575125	-422.57418	-422.619799	33.581
+C	 1.5051009828	-0.8207372563	 0.6701353608	-0.365808
+C	 0.8992984276	 0.3073872163	-0.1813353448	-0.300836
+C	 1.691501342	 1.5806268388	-0.1306055295	 0.275576
+C	 1.3098851919	 2.7695071115	 0.4076381396	-0.124573
+O	 2.2905216941	 3.7062652292	 0.2770056312	-0.19449
+C	 3.3390472514	 3.0999082662	-0.3576168576	 0.36332
+C	 4.5413848124	 3.9503143857	-0.57869461	-0.17232
+O	 5.2113669086	 4.3032314505	 0.6274668001	-0.412622
+C	 3.0251515496	 1.805199877	-0.6253048159	-0.388735
+H	 1.5567400257	-0.5295689527	 1.7236880218	 0.121664
+H	 0.9036149918	-1.7320605295	 0.5953680172	 0.112169
+H	 2.5216964933	-1.0608789196	 0.3431290238	 0.120466
+H	 0.8194246777	-0.0328319897	-1.2218433004	 0.108746
+H	-0.1248618542	 0.5079702111	 0.1531413996	 0.102611
+H	 0.4067181726	 3.0996968247	 0.8951272182	 0.130545
+H	 5.2627528075	 3.3923157819	-1.1812250133	 0.123817
+H	 4.2607983038	 4.8525371109	-1.1450080544	 0.102089
+H	 4.561841376	 4.7307313326	 1.1956497647	 0.288519
+H	 3.6645513054	 1.0886290014	-1.1186663511	 0.109863
+19
+0 42	5.0153218	0.8582188	0.7739823	0.8075	80.17	-0.19004	0.04025	0.23029	1523.2761	0.156021	-422.570415	-422.560882	-422.559938	-422.606044	33.635
+C	 1.274103387	-0.315400351	 1.2143166317	-0.365088
+C	 0.890077525	 0.2992103425	-0.1419513935	-0.298172
+C	 1.715038436	 1.498143947	-0.5047116999	 0.291601
+C	 1.2827729111	 2.7780616713	-0.6278105672	-0.148049
+O	 2.3315477976	 3.6118202085	-0.9613464694	-0.196038
+C	 3.4279788366	 2.8253464336	-1.0439081191	 0.481601
+O	 4.5952590831	 3.395848858	-1.3590788424	-0.268524
+C	 4.5915141147	 4.8017813123	-1.5958672015	-0.244442
+C	 3.1317028649	 1.5253948491	-0.7774198772	-0.449155
+H	 0.6568304462	-1.191975559	 1.4350928195	 0.1096
+H	 2.3222006005	-0.6304562228	 1.2228928833	 0.12052
+H	 1.1401783329	 0.4104174561	 2.0223152867	 0.119829
+H	 0.9927161881	-0.4653991545	-0.9229498615	 0.1071
+H	-0.1685305912	 0.5825935334	-0.128447581	 0.100324
+H	 0.3242440421	 3.2579195981	-0.5284866356	 0.127387
+H	 4.2633957403	 5.3527036369	-0.7084826227	 0.134256
+H	 5.6231322938	 5.0629181768	-1.8335381148	 0.136699
+H	 3.939218096	 5.0610252456	-2.4361422201	 0.134099
+H	 3.8249956453	 0.7006952483	-0.7794716752	 0.106453
+19
+0 43	3.1125375	1.0033431	0.8309572	1.9054	80.25	-0.21341	0.01265	0.22605999999999998	1434.7613	0.156645	-422.588389	-422.578974	-422.57803	-422.623721	33.552
+C	 1.624011092	-0.6773716512	-0.3051451388	-0.371259
+C	 0.7968270234	 0.491781148	 0.2574628467	-0.295093
+C	 1.4224660406	 1.8250683183	 0.0332201815	 0.358862
+C	 1.0547067689	 2.9313919947	-0.6683932423	-0.266462
+C	 2.0981893957	 3.8981181459	-0.4904685617	-0.262238
+C	 3.0358359362	 3.3144859345	 0.3005802491	 0.328328
+C	 4.3334302769	 3.7534140171	 0.882387647	-0.176564
+O	 4.2960746524	 3.9073332976	 2.2984191745	-0.412944
+O	 2.6350427177	 2.044734898	 0.6264843665	-0.228316
+H	 2.6189743631	-0.7007655382	 0.1477210338	 0.12969
+H	 1.1327443318	-1.6331314576	-0.0998298874	 0.113946
+H	 1.7494644703	-0.5813124307	-1.3878344954	 0.122639
+H	-0.196035463	 0.5073588379	-0.2031557062	 0.115149
+H	 0.6392625824	 0.3369822862	 1.333168656	 0.115371
+H	 0.1472285821	 3.0458023968	-1.2409132475	 0.106949
+H	 2.1427402387	 4.8973343209	-0.8953088795	 0.111134
+H	 5.1309487366	 3.0513579009	 0.5909727382	 0.100154
+H	 4.5899632622	 4.733484443	 0.4717397735	 0.123507
+H	 3.9897090521	 3.0707726379	 2.6639752619	 0.287145
+19
+0 44	2.9171269	1.1354233	0.8675029	1.2238	80.6	-0.18587	0.03714	0.22301	1372.8491	0.156014	-422.573283	-422.563759	-422.562815	-422.609437	33.484
+C	 2.7803125024	-0.4219187839	 1.379178747	-0.369259
+C	 1.7164347914	 0.6273976366	 1.7476418878	-0.290389
+C	 1.8018726842	 1.878142891	 0.9468081576	 0.35346
+C	 0.9860774314	 2.4998908715	 0.0585741662	-0.264903
+C	 1.643281985	 3.7049176642	-0.3696083676	-0.30988
+C	 2.8273211953	 3.7168005378	 0.2964274081	 0.432941
+O	 3.8416456939	 4.5878663837	 0.244051199	-0.269217
+C	 4.8267519524	 4.4996889823	 1.2706469236	-0.245546
+O	 2.9555518499	 2.6310686203	 1.0976903875	-0.229386
+H	 2.680920766	-1.3136475449	 2.0058579425	 0.110219
+H	 2.6827908254	-0.7243056015	 0.3321398413	 0.12103
+H	 3.7874349872	-0.0189150085	 1.5192680448	 0.125381
+H	 0.7140358923	 0.2118224955	 1.6003269744	 0.112823
+H	 1.8000932373	 0.8626883407	 2.8176610146	 0.109612
+H	 0.0154805577	 2.1478060378	-0.2563763095	 0.104083
+H	 1.2924132159	 4.4507685746	-1.0624489628	 0.107587
+H	 4.3772100867	 4.6167807993	 2.2629176266	 0.129915
+H	 5.3574408034	 3.5433503363	 1.2312482826	 0.135111
+H	 5.5240330523	 5.3167108071	 1.0822595562	 0.136417
+19
+0 45	2.8877451	1.2227594	0.919034	1.0033	79.51	-0.2113	0.02164	0.23293999999999998	1292.6157	0.155941	-422.591745	-422.582014	-422.58107	-422.626443	34.679
+C	 4.2205366757	 0.3190896445	 2.9163527176	-0.490773
+C	 2.8174856755	 0.3126508036	 2.4242988222	 0.279092
+C	 2.2313851797	-0.040344758	 1.2458166408	 0.065599
+C	 2.8809855419	-0.5648542897	 0.0018514327	-0.513409
+C	 0.8137841429	 0.1938820151	 1.420325462	 0.155165
+C	-0.2689552584	-0.0735472847	 0.4242158067	-0.179789
+O	-0.3512934826	-1.4511265293	 0.0551243215	-0.411594
+C	 0.6671145685	 0.6621147817	 2.6866147689	-0.135905
+O	 1.8680743335	 0.7473345364	 3.3126955422	-0.186812
+H	 4.3305780638	-0.2899014919	 3.8209185467	 0.136653
+H	 4.8905155612	-0.0811939285	 2.1526044703	 0.134643
+H	 4.5566231905	 1.3330468766	 3.1630081283	 0.137423
+H	 2.337162366	-1.4358711964	-0.3751068756	 0.145853
+H	 2.8787082857	 0.1837076518	-0.8004472521	 0.126729
+H	 3.9209591959	-0.8531665296	 0.1769126405	 0.118116
+H	-1.2314810037	 0.29178368	 0.8138136097	 0.092098
+H	-0.0795933076	 0.4577513069	-0.5151472718	 0.114442
+H	-0.4020470914	-1.9570747373	 0.8731227448	 0.280184
+H	-0.1896740172	 0.9751324989	 3.2619905647	 0.132285
+19
+0 46	2.9353513	1.2258554	0.931439	1.6729	79.69	-0.19557	0.02861	0.22418	1299.7739	0.15552	-422.588418	-422.578579	-422.577635	-422.623201	35.061
+C	 1.3439470887	-0.6473412014	-0.9665084148	-0.369835
+C	 1.1065750846	 0.1635487541	 0.3206693979	-0.323942
+C	 1.7016323096	 1.5387405211	 0.2687024927	 0.160393
+C	 2.770827112	 2.0289747398	 0.9509787122	-0.121211
+O	 3.0293523821	 3.3164257666	 0.6074520961	-0.186567
+C	 2.0950653514	 3.6913639887	-0.3236997013	 0.289263
+C	 2.1567326133	 5.068836605	-0.8703082222	-0.497833
+C	 1.2691246642	 2.6352312309	-0.5600175826	 0.098999
+O	 0.2416254863	 2.6375824287	-1.4637330286	-0.449565
+H	 0.865376155	-1.6298613363	-0.9068773101	 0.111785
+H	 0.9433231834	-0.1242476497	-1.840584022	 0.12163
+H	 2.4144197525	-0.79535253	-1.1362499845	 0.126016
+H	 0.024624954	 0.2297407848	 0.5097685758	 0.094441
+H	 1.5206056254	-0.3768541826	 1.1786997382	 0.110692
+H	 3.4248868736	 1.5972486612	 1.6914103123	 0.129037
+H	 2.1075408611	 5.8227818458	-0.0760361459	 0.131859
+H	 3.0790324564	 5.2477067561	-1.4363142514	 0.13239
+H	 1.3099047962	 5.2225002048	-1.5432897241	 0.144299
+H	-0.3906433597	 1.9574734627	-1.2127779279	 0.298148
+19
+0 47	3.1032539	1.2266959	0.8939	0.5445	80.11	-0.19719	0.03379	0.23098000000000002	1317.9658	0.155247	-422.575439	-422.565587	-422.564643	-422.610387	34.645
+C	 1.0610400118	 0.3303111304	-0.6980460649	-0.249115
+O	 0.4736439535	-0.3491540468	 0.3956789516	-0.25706
+C	-0.0620142612	 0.4526579748	 1.345686113	 0.278969
+C	-0.1296840587	 1.8102343827	 1.4247297821	-0.192637
+O	-0.7721311656	 2.1587582261	 2.5841089992	-0.197068
+C	-1.1071305196	 1.0077908265	 3.232300733	 0.304678
+C	-1.8203048846	 1.1697562401	 4.5272306722	-0.49031
+C	-0.6975712062	-0.0814596464	 2.5214840191	 0.01559
+C	-0.8447483688	-1.5358202891	 2.8373075419	-0.505723
+H	 1.8857469896	 0.9753891343	-0.3653770825	 0.121137
+H	 1.4464098243	-0.4327431076	-1.3760171846	 0.133403
+H	 0.3196200207	 0.9472823464	-1.2239483022	 0.121136
+H	 0.1983040622	 2.6212083306	 0.7999171216	 0.126955
+H	-2.0424790239	 0.1934720884	 4.9628786802	 0.132661
+H	-1.2182434611	 1.7350792661	 5.2479532031	 0.136703
+H	-2.7661691106	 1.7085480539	 4.3987634843	 0.136707
+H	-1.3629460325	-1.6896259275	 3.7873948984	 0.119488
+H	-1.4107519533	-2.0580343238	 2.0576554792	 0.132239
+H	 0.130925304	-2.0304712792	 2.9030409654	 0.132245
+19
+0 48	1.9667511	1.4428815	0.8913789	1.6491	77.46	-0.21952	0.02019	0.23970999999999998	1316.7879	0.156868	-422.581363	-422.572056	-422.571112	-422.616122	33.515
+C	 1.4201159923	-0.7299059639	 0.8698405541	-0.371227
+C	 0.8742388598	 0.2416463199	-0.1906420897	-0.305115
+C	 1.6247836209	 1.539772567	-0.2617639278	 0.1493
+C	 1.1907111196	 2.7603035485	 0.1525459041	-0.103239
+O	 2.1326548203	 3.717603995	-0.0567816349	-0.147587
+C	 3.2019328084	 3.0927184469	-0.6164659531	-0.095279
+C	 2.9604253928	 1.7627257594	-0.7706420765	 0.106296
+C	 3.9015211715	 0.7606456217	-1.373180184	-0.169777
+O	 4.9044125818	 1.3614589816	-2.178212368	-0.412044
+H	 1.3754619162	-0.2817147011	 1.8670360378	 0.122636
+H	 0.8391207556	-1.6574452924	 0.8844021658	 0.113563
+H	 2.4640528197	-0.9927867701	 0.6717328012	 0.122791
+H	 0.8944201108	-0.250972591	-1.1717581613	 0.105718
+H	-0.1804275071	 0.4514092218	 0.0202910594	 0.104828
+H	 0.2654759622	 3.0990846833	 0.5905034221	 0.133532
+H	 4.0501195018	 3.7150475502	-0.8463307938	 0.143261
+H	 4.4471720998	 0.2157907761	-0.5931795647	 0.125976
+H	 3.331177845	 0.004308709	-1.9373898663	 0.095079
+H	 4.4525962486	 1.8758017881	-2.8560311244	 0.281287
+19
+0 49	1.945799	1.6148494	0.94272	1.0482	78.3	-0.20669	0.02948	0.23617000000000002	1273.5859	0.156653	-422.566403	-422.557183	-422.556239	-422.600702	33.32
+C	 1.8986210963	-1.0269605346	-0.1218790705	-0.372038
+C	 0.7904467933	 0.0222572815	-0.3155625262	-0.300797
+C	 1.2728141724	 1.4296922478	-0.134804709	 0.126434
+C	 1.4056413828	 2.4126768012	-1.0642113269	-0.08719
+O	 1.8869610938	 3.5585647715	-0.5206452879	-0.155727
+C	 2.0768370876	 3.3188161274	 0.8131366719	-0.153134
+C	 1.7164707221	 2.0339404125	 1.0949870348	 0.241778
+O	 1.7274092392	 1.3562293054	 2.2672826329	-0.260781
+C	 2.1810234963	 2.0969673575	 3.3851812343	-0.250842
+H	 2.3322710989	-0.9475983923	 0.8787476259	 0.132974
+H	 1.5020462345	-2.0399532893	-0.2436418808	 0.107833
+H	 2.7025560556	-0.8846556806	-0.8508327877	 0.115556
+H	 0.3521656875	-0.0806899491	-1.314642933	 0.100455
+H	-0.0171454327	-0.178135207	 0.3995106213	 0.111678
+H	 1.1981298907	 2.4454595248	-2.1217610703	 0.132955
+H	 2.4577595992	 4.1392305115	 1.3941252972	 0.130348
+H	 2.1297649863	 1.4318233137	 4.2484589881	 0.135236
+H	 3.217205664	 2.4326997364	 3.2424939651	 0.122593
+H	 1.5447514021	 2.9749905316	 3.5606818709	 0.122669
+19
+0 50	2.960134	1.0108387	0.7962268	1.3348	79.06	-0.20977	0.02474	0.23451000000000002	1440.3092	0.156333	-422.587361	-422.577817	-422.576873	-422.622686	33.798
+C	-2.4579468271	-2.5049808574	-1.4964984703	-0.508816
+C	-2.8808667865	-1.1464173314	-1.0281415879	 0.15752
+C	-2.1244682598	-0.0125559466	-0.9495926659	 0.261715
+C	-0.702583974	 0.3058372848	-1.2541398481	-0.297399
+C	 0.1276673743	 0.6086928833	-0.0030871708	-0.06515
+O	 1.4476290573	 0.9023456444	-0.4324111303	-0.419726
+O	-2.8823789458	 1.0241295108	-0.4693793871	-0.186767
+C	-4.1312303844	 0.5396200897	-0.244745238	-0.021155
+C	-4.1933309097	-0.7750676901	-0.5666286166	-0.258755
+H	-2.5627251187	-3.254021037	-0.7029323721	 0.128556
+H	-3.0694365391	-2.8454909106	-2.3400322387	 0.129313
+H	-1.4140670917	-2.5133343346	-1.8207735682	 0.126285
+H	-0.2466692339	-0.536839768	-1.7816712082	 0.119644
+H	-0.6396069064	 1.1727460954	-1.9229825327	 0.123959
+H	-0.3214497867	 1.45602417	 0.535680387	 0.100466
+H	 0.1050579051	-0.2621153861	 0.6708335432	 0.088832
+H	 1.9730914066	 1.1254393672	 0.341200002	 0.28674
+H	-4.8479820501	 1.2488141938	 0.1355969368	 0.129341
+H	-5.0592760992	-1.4154322777	-0.4932807342	 0.105398
+19
+0 51	3.0597258	1.0012734	0.7945048	1.2111	79.32	-0.19819	0.02489	0.22308	1464.7748	0.156349	-422.583243	-422.573902	-422.572958	-422.618144	33.836
+C	 1.5462300449	-0.9571163937	 0.9549067281	-0.381903
+C	 1.1116470712	-0.0963622793	-0.2328745662	-0.152599
+C	 1.5090392682	 1.3847536364	-0.0731526292	-0.320611
+C	 1.1271659077	 2.2457945682	-1.224417204	 0.231736
+C	 0.2491397428	 3.2799201752	-1.3842731066	 0.207405
+O	-0.5743217799	 3.8692178216	-0.4736974319	-0.44072
+C	 0.3205385788	 3.696934764	-2.7522702789	-0.250843
+C	 1.2392381029	 2.8824120056	-3.3303668527	-0.010172
+O	 1.7396166271	 2.0003961824	-2.431515914	-0.185243
+H	 1.2587938617	-2.0033733231	 0.8135288884	 0.115397
+H	 2.6330947525	-0.9257280333	 1.0905303886	 0.116475
+H	 1.0876743973	-0.6099536079	 1.8880541915	 0.111212
+H	 1.559689583	-0.478317264	-1.1569314557	 0.114811
+H	 0.0254755937	-0.1609637918	-0.3690721487	 0.099705
+H	 1.0427794493	 1.7904510917	 0.8356229412	 0.085753
+H	 2.5931574841	 1.4470883758	 0.097625162	 0.117286
+H	-0.4533778106	 3.4430609195	 0.3809383472	 0.29555
+H	-0.2401335383	 4.4927885296	-3.2151539166	 0.115725
+H	 1.6326324534	 2.8077952632	-4.3307772024	 0.131036
+19
+0 52	3.0289969	1.1151942	0.8463633	1.0817	79.99	-0.19678	0.03269	0.22947	1397.832	0.155698	-422.575876	-422.566336	-422.565392	-422.611418	33.645
+C	 0.2013694009	-0.6258272002	-0.4489368153	-0.38611
+C	 1.3741179912	 0.2710053415	-0.1038897562	-0.060472
+O	 1.25351488	 0.6332770576	 1.2850765724	-0.277522
+C	 2.1870652832	 1.4674699777	 1.7592886438	 0.347168
+C	 2.0671324283	 2.6218372411	 2.4703950829	 0.12711
+C	 0.7948830027	 3.3150613083	 2.8429115037	-0.507401
+C	 3.4225190172	 3.0058394648	 2.7769206659	-0.265023
+C	 4.2346454007	 2.0729429796	 2.2244924118	-0.016473
+O	 3.4924768923	 1.1099148939	 1.5972082484	-0.18816
+H	 0.2104609035	-1.5259788789	 0.1718688984	 0.133152
+H	-0.7462161657	-0.1047722748	-0.2865325014	 0.129518
+H	 0.2570090172	-0.9276191804	-1.4989819362	 0.120743
+H	 2.3284219484	-0.242854648	-0.2628640802	 0.121312
+H	 1.37365605	 1.1857486702	-0.7116284374	 0.104487
+H	 0.6548065998	 3.3528122807	 3.9296705228	 0.126801
+H	 0.7759096138	 4.3492514045	 2.4800939927	 0.123448
+H	-0.0631837582	 2.7904057619	 2.4149922753	 0.130495
+H	 3.735364637	 3.8763200094	 3.3336356251	 0.106033
+H	 5.3025278479	 1.9446071214	 2.1725478437	 0.130893
+19
+0 53	2.9623876	1.0788824	0.8414515	1.188	80.69	-0.21679	0.01591	0.23270000000000002	1406.783	0.155902	-422.56902	-422.55952	-422.558576	-422.604419	33.206
+C	 1.450213041	 0.2030643979	-0.1349599775	-0.220716
+O	 0.0528910814	 0.0725458391	-0.0297953862	-0.232381
+C	-0.4476933753	 0.6081257847	 1.1860667958	-0.186194
+C	-1.9268829792	 0.5061854902	 1.2213656227	 0.271379
+C	-2.7943707556	-0.395188974	 1.7684851385	 0.171377
+C	-2.4649516874	-1.6277521335	 2.5521712752	-0.506811
+C	-4.1094158409	 0.0751263219	 1.4287160509	-0.262979
+C	-3.9357452417	 1.2115675326	 0.7077173814	-0.013832
+O	-2.6182817615	 1.4931559443	 0.571622084	-0.176593
+H	 1.976209197	-0.3333871721	 0.6719095981	 0.099534
+H	 1.7465719585	-0.2270929075	-1.0945865604	 0.128058
+H	 1.7679011327	 1.2579367231	-0.104529846	 0.103226
+H	-0.0213635056	 0.0666969927	 2.0457400321	 0.096485
+H	-0.1480005147	 1.664415009	 1.2837464805	 0.100944
+H	-2.949789042	-1.6178679559	 3.5349050725	 0.128273
+H	-2.8070322639	-2.5308982797	 2.0340188577	 0.134267
+H	-1.3884004598	-1.7295830825	 2.7108333717	 0.126783
+H	-5.0507668543	-0.3818937463	 1.6933742403	 0.107122
+H	-4.6151220687	 1.9086713661	 0.2448407387	 0.132055
+19
+0 54	3.0832131	0.9689087	0.7813119	1.2331	78.75	-0.20946	0.02381	0.23327	1456.0713	0.156291	-422.587969	-422.578429	-422.577484	-422.623344	33.782
+C	-2.5058166921	-2.4146355862	-1.3692277043	-0.493434
+C	-2.8508275866	-1.0152668666	-1.0022500732	 0.270266
+C	-2.1472769246	 0.1548995548	-0.9713050253	 0.150266
+C	-0.7007602808	 0.3683110008	-1.3031385438	-0.312607
+C	 0.1683957786	 0.5672480089	-0.059525537	-0.05845
+O	 1.5004422865	 0.788370014	-0.495752028	-0.418671
+C	-3.0797584131	 1.1591754061	-0.5251175917	-0.267793
+C	-4.260940256	 0.5266889349	-0.3257198624	-0.020158
+O	-4.1423886479	-0.7974397172	-0.6110071756	-0.180388
+H	-2.6194189141	-3.0952976777	-0.5173768114	 0.136529
+H	-3.1513667563	-2.7873652774	-2.1725957911	 0.137916
+H	-1.4701665355	-2.4715599333	-1.7107511044	 0.136543
+H	-0.3015551049	-0.4811519778	-1.8668749175	 0.108488
+H	-0.5808202953	 1.249999891	-1.943818391	 0.114186
+H	-0.2111885254	 1.4209444914	 0.5241511799	 0.088316
+H	 0.0954109274	-0.324031803	 0.5835668048	 0.087391
+H	 2.0548968248	 0.9123247372	 0.2798917958	 0.28581
+H	-2.8814579019	 2.21116683	-0.3862367019	 0.106053
+H	-5.2366789927	 0.8512305301	-0.003834712	 0.129737
+19
+0 55	3.2142188	1.0513349	0.8041803	1.5364	80.39	-0.19085	0.0254	0.21625	1436.4501	0.155655	-422.572541	-422.562987	-422.562043	-422.607957	33.675
+C	 0.1514687954	-0.75885663	 0.1114567284	-0.390801
+C	 0.4857885736	 0.7218541272	 0.0948510243	-0.049077
+O	 1.8893009868	 0.8500111861	-0.0898383332	-0.277976
+C	 2.3846005516	 2.1142678331	-0.1329928292	 0.236237
+C	 3.7101993499	 2.3964240677	-0.3058469147	 0.248576
+C	 4.9068868462	 1.5384186952	-0.4832167025	-0.498203
+O	 3.8761123136	 3.7566748176	-0.3026315612	-0.177343
+C	 2.6579936833	 4.3207778502	-0.1286566579	-0.01018
+C	 1.694144451	 3.3689756067	-0.0166459988	-0.313349
+H	-0.9240096842	-0.9011981255	 0.2521323576	 0.118158
+H	 0.4443680378	-1.229773308	-0.8310185214	 0.130487
+H	 0.6785972934	-1.2629725862	 0.9262052739	 0.130484
+H	-0.0473052759	 1.233350738	-0.7200355008	 0.101874
+H	 0.1872087296	 1.200101061	 1.0393112474	 0.101856
+H	 5.6490733944	 1.7010075523	 0.3075497353	 0.131749
+H	 4.5984197772	 0.4909094992	-0.4521781954	 0.143521
+H	 5.4046858854	 1.720647121	-1.4433110788	 0.131676
+H	 2.6349442748	 5.3976848383	-0.105404357	 0.130532
+H	 0.6399324261	 3.5374938261	 0.1283230538	 0.11178
+19
+0 56	3.3077448	1.0678688	0.8369056	1.491	79.74	-0.20801	0.02129	0.2293	1386.475	0.155953	-422.569495	-422.560029	-422.559085	-422.604728	33.233
+C	 1.4862587642	 0.2826142748	-0.0472561827	-0.222491
+O	 0.0858509414	 0.4268020214	-0.0374135204	-0.227295
+C	-0.4575111625	 0.3473438433	 1.2690091687	-0.190378
+C	-1.9427954902	 0.5360371185	 1.2283978696	 0.148101
+C	-2.655755367	 1.4477160019	 0.502402412	 0.290848
+C	-2.2814127504	 2.504893965	-0.4735291504	-0.497916
+O	-3.9877048552	 1.3074303391	 0.7686095535	-0.178947
+C	-4.1217327245	 0.3038345555	 1.6761090771	-0.021133
+C	-2.9070019117	-0.2073877318	 1.9923184108	-0.277606
+H	 1.7978173214	-0.6951579709	 0.3534124407	 0.105008
+H	 1.8155275799	 0.3592014204	-1.0861818239	 0.128024
+H	 1.9846902152	 1.0674520282	 0.5442329394	 0.103454
+H	-0.2235570229	-0.6320947996	 1.7187641085	 0.093491
+H	 0.0218296555	 1.1071739516	 1.912381851	 0.095596
+H	-2.4929595592	 3.5078958401	-0.0834275672	 0.128773
+H	-1.2177616681	 2.4260510002	-0.6981956295	 0.151325
+H	-2.8424973613	 2.3937781527	-1.4080352695	 0.135076
+H	-5.1298254908	 0.0776127379	 1.9813050496	 0.130388
+H	-2.7053986737	-1.0165511285	 2.6777651726	 0.10568
+19
+0 57	5.5464309	0.7367095	0.6872101	1.3801	79.88	-0.2102	0.02519	0.23539	1659.4872	0.15634	-422.587338	-422.577782	-422.576838	-422.622545	33.817
+C	-5.6443270628	 1.2339555069	 1.0336752256	-0.500126
+C	-4.3268328977	 0.9076263049	 0.4023698765	 0.268448
+C	-4.0045220258	-0.2042919848	-0.3087594784	-0.117645
+O	-2.7106786403	-0.1560294194	-0.7353511399	-0.187674
+C	-2.1834854713	 1.0216341985	-0.2863699237	 0.372368
+C	-0.760467338	 1.2924210787	-0.6268939635	-0.294878
+C	 0.2135802909	 0.3221677322	 0.0479526191	-0.067702
+O	 1.5218733285	 0.6808871778	-0.3668570811	-0.419291
+C	-3.1283881756	 1.7049383955	 0.41392238	-0.386892
+H	-5.5487271806	 1.3711447865	 2.1169069332	 0.128404
+H	-6.0651859873	 2.1616540093	 0.6292341279	 0.129377
+H	-6.372875453	 0.4363852487	 0.8628412627	 0.123398
+H	-4.5594498872	-1.0843208731	-0.5912419957	 0.126195
+H	-0.605323591	 1.2313946029	-1.7109701745	 0.123999
+H	-0.511966528	 2.3134609654	-0.3229571566	 0.1208
+H	 0.1011477469	 0.3927643393	 1.1411948634	 0.09021
+H	-0.0366892134	-0.7080512295	-0.2451292172	 0.101183
+H	 2.1430334719	 0.0633334504	 0.0295596478	 0.286974
+H	-2.995879346	 2.6679810497	 0.8840113744	 0.102853
+19
+0 58	5.5219106	0.7418674	0.690205	1.9819	79.62	-0.19799	0.02555	0.22354	1659.5829	0.15627	-422.583134	-422.573693	-422.572749	-422.618105	34.036
+C	 1.5356027653	-0.9260908968	 0.9730605959	-0.382339
+C	 1.1070020602	-0.0377262695	-0.1965382332	-0.157378
+C	 1.6492602043	 1.4002714479	-0.078000839	-0.300853
+C	 1.2640433041	 2.2793549308	-1.2168956319	 0.409294
+C	 0.4702238425	 3.3831901584	-1.3163870973	-0.439409
+C	 0.4846916295	 3.7643970188	-2.6994940003	 0.310184
+O	-0.1570611068	 4.809024936	-3.2901784154	-0.440996
+C	 1.2816386017	 2.8693979666	-3.3421282256	-0.123257
+O	 1.7621799276	 1.9574542418	-2.4384172546	-0.187479
+H	 1.1390720134	-1.9403967941	 0.8666631205	 0.114446
+H	 2.6270579121	-1.0001785961	 1.0358703551	 0.115929
+H	 1.17670026	-0.5268666005	 1.9285345184	 0.112977
+H	 1.4546922641	-0.468188851	-1.1420871006	 0.114567
+H	 0.0127810696	-0.0003335661	-0.2587058778	 0.100779
+H	 1.2833862865	 1.8604314671	 0.8465609668	 0.108006
+H	 2.7442824761	 1.3627589473	 0.0025510488	 0.114411
+H	-0.0577828826	 3.8683285483	-0.5087919536	 0.100439
+H	-0.6550632838	 5.2827593203	-2.6183893654	 0.299965
+H	 1.5907623062	 2.7501436406	-4.3651295908	 0.130713
+19
+0 59	6.4282073	0.7954898	0.7173909	0.8405	80.87	-0.1881	0.04385	0.23195	1614.2933	0.155548	-422.575786	-422.566177	-422.565233	-422.611722	33.865
+C	 0.2261191654	-0.7635338474	-0.033427807	-0.389015
+C	 0.6165384829	 0.6962490554	 0.0958921409	-0.050829
+O	 2.038910241	 0.7757052989	-0.0770425783	-0.279018
+C	 2.6071651765	 1.9823052704	-0.0023156864	 0.479736
+C	 3.9122486266	 2.3463590765	-0.1229145468	-0.440126
+C	 3.9336023692	 3.7780823078	 0.0477425716	 0.281041
+C	 5.1366791621	 4.6672454426	 0.0036332829	-0.49736
+C	 2.6468070951	 4.1530899945	 0.2553875696	-0.136414
+O	 1.8136244036	 3.0527109591	 0.2274393845	-0.194794
+H	 0.7263021476	-1.3673365227	 0.7286233652	 0.132128
+H	-0.8552805707	-0.8710941576	 0.0926962058	 0.121365
+H	 0.5013050181	-1.1525398427	-1.0175123488	 0.132127
+H	 0.1210779794	 1.3127963808	-0.6633086544	 0.115919
+H	 0.3449243134	 1.098550361	 1.0789787236	 0.115813
+H	 4.7445761147	 1.6877111803	-0.3076248202	 0.104161
+H	 5.8672760351	 4.3896986655	 0.7720266749	 0.128688
+H	 5.6476671378	 4.6007302103	-0.9636855002	 0.128697
+H	 4.8615035455	 5.7131838983	 0.1656080007	 0.121968
+H	 2.1608193065	 5.0973179291	 0.4311164725	 0.125912
+19
+0 60	5.4638832	0.7738403	0.7190734	1.1659	81.59	-0.21629	0.01568	0.23197	1633.2698	0.155876	-422.568592	-422.55908	-422.558136	-422.603861	33.237
+C	 1.4565927829	-0.2269128772	 0.1311307735	-0.220496
+O	 0.0556770469	-0.0960245465	 0.095304686	-0.230851
+C	-0.4207128082	 0.8483037963	 1.0394462922	-0.183648
+C	-1.9033795957	 0.898391513	 1.008131057	 0.38242
+C	-2.7935721019	 1.7928589231	 0.5004663724	-0.376806
+C	-4.1086280455	 1.287174313	 0.7844375423	 0.265623
+C	-5.4233210732	 1.9095777363	 0.4301581022	-0.501088
+C	-3.8990041537	 0.1177118005	 1.4477306633	-0.109209
+O	-2.5718492962	-0.1338466373	 1.596909923	-0.176924
+H	 1.8122601583	-0.5635608812	 1.118394398	 0.10342
+H	 1.7330118809	-0.973388153	-0.6171697926	 0.128679
+H	 1.9649827081	 0.7213625468	-0.1084763253	 0.100816
+H	-0.07392919	 0.5755645443	 2.0503834563	 0.099576
+H	-0.027627047	 1.8530787388	 0.8160788159	 0.098391
+H	-2.5477812144	 2.7061139219	-0.0206296495	 0.106699
+H	-6.2577594004	 1.2936214994	 0.7769267949	 0.124453
+H	-5.5327804451	 2.902667883	 0.8807097624	 0.129115
+H	-5.5298025827	 2.0349736429	-0.6533106162	 0.130942
+H	-4.5666023729	-0.6194100641	 1.8643493241	 0.12889
+19
+0 61	3.9933265	0.8266671	0.7214856	1.5673	80.52	-0.20571	0.0214	0.22711	1580.2881	0.156372	-422.590799	-422.581322	-422.580378	-422.625939	33.733
+C	-2.6988012908	-3.1657759853	 3.9257676949	-0.492144
+C	-2.6948763401	-2.0074180655	 2.9944513233	 0.346876
+C	-3.6572585646	-1.3903382796	 2.2584301365	-0.254539
+C	-3.0128908092	-0.3170073508	 1.5584617701	-0.265957
+C	-1.7017630408	-0.3509263602	 1.9167876847	 0.344352
+C	-0.5073299073	 0.4525838254	 1.5406036892	-0.330356
+C	 0.5042231126	-0.3295622345	 0.6816058541	-0.056896
+O	 1.6244520074	 0.4567790498	 0.3155950433	-0.414778
+O	-1.4956083965	-1.3829144838	 2.7940052986	-0.217446
+H	-2.3732220027	-2.8768539031	 4.9318651317	 0.135834
+H	-3.7077216274	-3.5777252378	 3.9991483489	 0.13478
+H	-2.0283302064	-3.962229111	 3.5825721168	 0.135875
+H	-4.7004403828	-1.663629997	 2.2206407673	 0.103816
+H	-3.4671897588	 0.3891872996	 0.8807371309	 0.105414
+H	-0.8328915476	 1.3378636891	 0.9866202626	 0.121523
+H	 0.0031721766	 0.8084791862	 2.4469117619	 0.102631
+H	 0.8039611135	-1.2465553428	 1.2096519361	 0.100937
+H	 0.0288200536	-0.6335430772	-0.2562377569	 0.117989
+H	 2.1199770313	 0.6559810686	 1.1163687158	 0.28209
+19
+0 62	4.1482963	0.9102904	0.7680026	1.2231	81.23	-0.19065	0.03385	0.22449999999999998	1492.7161	0.155559	-422.579116	-422.569569	-422.568625	-422.614967	33.62
+C	 0.2216921657	-0.5874720056	-0.244054113	-0.386083
+C	 1.4413897268	 0.273943769	 0.0196776286	-0.059477
+O	 1.1589973137	 1.0835337305	 1.1756314425	-0.278237
+C	 2.100778793	 1.9625896691	 1.5323881655	 0.412569
+C	 2.0076368212	 3.2462547424	 1.9630486332	-0.297201
+C	 3.351446249	 3.6360356687	 2.2954848273	-0.254551
+C	 4.1566583356	 2.5754932993	 2.0326177483	 0.353382
+C	 5.6192567231	 2.3378717618	 2.1310624855	-0.487695
+O	 3.391689778	 1.5287232729	 1.5655788113	-0.222976
+H	 0.0097626194	-1.227400605	 0.6169846482	 0.132739
+H	-0.6575078872	 0.0334429158	-0.4365522081	 0.130734
+H	 0.3955613267	-1.2250464315	-1.1158660337	 0.120256
+H	 2.328062387	-0.3395452478	 0.2118385954	 0.121098
+H	 1.6604625677	 0.9316001917	-0.8320272635	 0.105843
+H	 1.104707833	 3.8293931523	 2.0330328131	 0.10741
+H	 3.6733101755	 4.5940703785	 2.6741497039	 0.103058
+H	 5.8536167778	 1.5053540448	 2.8051007972	 0.133729
+H	 6.0610981707	 2.1013069619	 1.1555285276	 0.131663
+H	 6.1098309331	 3.2348392211	 2.5163671508	 0.133739
+19
+0 63	4.1402806	0.8642905	0.7534553	0.8624	82.2	-0.21071	0.01531	0.22602	1558.7543	0.15573	-422.57269	-422.563179	-422.562235	-422.608001	33.229
+C	 1.3875555593	 0.3118714281	-0.0576683163	-0.220039
+O	-0.0122269745	 0.1812502053	 0.0047253749	-0.231015
+C	-0.5221123044	 0.4633679031	 1.2978581502	-0.188258
+C	-2.0023382549	 0.3761824933	 1.2950892577	 0.349531
+C	-2.8831029768	-0.5338670083	 1.7897782069	-0.257684
+C	-4.1918579103	-0.0495698958	 1.4687957042	-0.255483
+C	-4.0158287757	 1.1233981166	 0.7997367465	 0.351193
+C	-4.9522179683	 2.1088320344	 0.1984237312	-0.49325
+O	-2.6851961537	 1.395612565	 0.6917909956	-0.206441
+H	 1.8975143258	-0.3878035641	 0.6246586727	 0.100625
+H	 1.6903983185	 0.0868512818	-1.0830294338	 0.128016
+H	 1.7165753221	 1.3330457692	 0.1945606619	 0.102618
+H	-0.1283842527	-0.2539177205	 2.0357548559	 0.098015
+H	-0.2009674639	 1.4705074011	 1.6137397272	 0.09775
+H	-2.62952089	-1.4413740586	 2.3156962477	 0.107966
+H	-5.1382930031	-0.5114598318	 1.7033771558	 0.10464
+H	-4.8385334431	 3.1006881204	 0.6507617245	 0.137027
+H	-4.7804182428	 2.2197180984	-0.878228219	 0.140555
+H	-5.9829708015	 1.7803966024	 0.3485848361	 0.134236
+19
+0 64	4.8614347	0.7441687	0.6788669	1.5818	79.59	-0.20996	0.02439	0.23435	1661.9657	0.156243	-422.587934	-422.578352	-422.577408	-422.623269	33.832
+C	-5.3323443614	-1.1306379766	-0.7480817881	-0.488318
+C	-4.157393219	-0.2408530618	-0.5542030828	 0.380255
+C	-2.8725367075	-0.2729248684	-0.9988411812	-0.382665
+C	-2.2095761689	 0.8903452204	-0.4664131279	 0.254603
+C	-0.7791947099	 1.2937886365	-0.6562331328	-0.306617
+C	 0.1961077824	 0.3796022521	 0.0882476859	-0.060311
+O	 1.5105713842	 0.8364953697	-0.1885897539	-0.418388
+C	-3.1582948983	 1.5330458818	 0.2643143413	-0.123953
+O	-4.3448650973	 0.8643455054	 0.2232120662	-0.180923
+H	-5.6992300591	-1.5269535554	 0.2056813598	 0.137117
+H	-6.165511617	-0.5996083473	-1.2225375482	 0.137901
+H	-5.057576646	-1.9740039221	-1.3853764657	 0.134164
+H	-2.4417896404	-1.0285077691	-1.6387524927	 0.102309
+H	-0.5115060714	 1.2794086239	-1.7195577275	 0.114259
+H	-0.6242277975	 2.3201319172	-0.3072027226	 0.109532
+H	-0.0258037594	 0.4114538594	 1.1664449603	 0.089286
+H	 0.0544417914	-0.6615702189	-0.2427682794	 0.087288
+H	 2.1305321774	 0.2761951251	 0.2868779048	 0.285772
+H	-3.1515926024	 2.4429625782	 0.8422767647	 0.12869
+19
+0 65	4.9047811	0.822958	0.7141624	1.8618	80.61	-0.193	0.02635	0.21935	1595.9456	0.15562	-422.57222	-422.562693	-422.561749	-422.607432	33.741
+C	 0.3814363103	-0.7892827849	 0.1128142305	-0.391632
+C	 0.6726148552	 0.7000434847	 0.1460373136	-0.044736
+O	 1.9761840936	 0.9008122396	-0.3868501882	-0.274238
+C	 2.4194727791	 2.1801439914	-0.4404049762	 0.327929
+C	 3.6400978664	 2.5483619695	-0.9204033797	-0.145973
+O	 3.7745632944	 3.9078315788	-0.8342452237	-0.179703
+C	 2.6327589358	 4.4039916006	-0.2966281762	 0.390183
+C	 2.5599253505	 5.8772982915	-0.1103683718	-0.487949
+C	 1.7595930023	 3.390673773	-0.0323193812	-0.425501
+H	-0.6160498155	-0.9875544917	 0.5158597943	 0.117596
+H	 0.4238506268	-1.1664629385	-0.9126813905	 0.131181
+H	 1.114082058	-1.3376398292	 0.7113456395	 0.131181
+H	-0.0650210952	 1.255847977	-0.4508591018	 0.102168
+H	 0.6261375192	 1.0844440906	 1.1753023724	 0.102168
+H	 4.4697666362	 2.0011008492	-1.3307319823	 0.130179
+H	 1.5971881011	 6.1499184632	 0.3274995064	 0.132484
+H	 3.3532134064	 6.2381796372	 0.554298966	 0.138254
+H	 2.6658637142	 6.4086756888	-1.0631217896	 0.138255
+H	 0.7767012313	 3.4967357093	 0.3966283785	 0.108152
+19
+0 66	4.7646105	0.795672	0.7088243	0.9513	80.9	-0.21227	0.02348	0.23575	1627.5603	0.155825	-422.570721	-422.561202	-422.560258	-422.606033	33.271
+C	 1.4172247572	-0.181093225	-0.04880452	-0.218348
+O	 0.0168509894	-0.1403083473	 0.0778406144	-0.230993
+C	-0.4136856953	 0.8121210868	 1.0342539258	-0.193659
+C	-1.8987085039	 0.7485368227	 1.1608419842	 0.27129
+C	-2.781580217	 1.768097025	 1.0029773024	-0.124779
+O	-4.055226813	 1.3435774268	 1.2225193534	-0.182484
+C	-3.9905984124	 0.011047344	 1.521479804	 0.379867
+C	-5.2815363522	-0.6752105731	 1.78927916	-0.488506
+C	-2.6955522126	-0.400174663	 1.4995584155	-0.373232
+H	 1.9084172229	-0.4454112285	 0.9019612955	 0.1009
+H	 1.6562501038	-0.9440529319	-0.7936334506	 0.126839
+H	 1.8279190803	 0.7845174257	-0.3858635464	 0.101683
+H	 0.0672783805	 0.599699702	 2.0058016405	 0.091666
+H	-0.100275681	 1.8278460243	 0.7397715644	 0.088559
+H	-2.6679974339	 2.8102175701	 0.7518922719	 0.130723
+H	-5.8090118225	-0.2237878698	 2.6373305119	 0.136868
+H	-5.9515498915	-0.6242334316	 0.9234003193	 0.138317
+H	-5.100548859	-1.7273047866	 2.019638907	 0.135634
+H	-2.3376769799	-1.4009381607	 1.684590987	 0.109653
+19
+0 67	2.9998291	0.9867545	0.791102	1.7976	77.62	-0.2177	0.02274	0.24044000000000001	1437.5101	0.156503	-422.583955	-422.574473	-422.573529	-422.619088	33.768
+C	-0.2784212454	-1.752574907	 3.95138644	-0.511775
+C	-1.4578254633	-1.4575041696	 3.0770275527	 0.161352
+C	-2.6709432533	-2.0695852422	 3.104077022	-0.094799
+O	-3.5119086225	-1.5346236879	 2.1787956608	-0.146379
+C	-2.8155157931	-0.5546786564	 1.5467202518	-0.099155
+C	-1.553172291	-0.4498168824	 2.0428332794	 0.151682
+C	-0.4796672987	 0.4930113123	 1.5870572169	-0.341859
+C	 0.5184410829	-0.1565047033	 0.6128170561	-0.051616
+O	 1.5052584355	 0.7519422251	 0.1556635909	-0.413662
+H	-0.5205942382	-2.5206082071	 4.6911653174	 0.127319
+H	 0.5814959469	-2.1110720907	 3.3735766682	 0.129613
+H	 0.0515651594	-0.8606828395	 4.4972553994	 0.128022
+H	-3.0784197714	-2.8671574859	 3.704172868	 0.131734
+H	-3.3500663598	-0.0177036864	 0.7796363273	 0.133962
+H	-0.9206513124	 1.3641480422	 1.0912328946	 0.113938
+H	 0.0757103645	 0.8747965137	 2.4553981279	 0.091798
+H	 0.9726257622	-1.0471440781	 1.0748756802	 0.091557
+H	-0.0145980323	-0.496898574	-0.2806007646	 0.117291
+H	 2.0345161502	 1.0196925976	 0.913695531	 0.280975
+19
+0 68	3.0659024	1.0740129	0.8074088	1.1827	78.8	-0.20439	0.03219	0.23657999999999998	1430.1676	0.156036	-422.571773	-422.562362	-422.561417	-422.606489	33.616
+C	 0.1141784619	-0.4798545311	-0.612957136	-0.391149
+C	 1.4236355396	 0.1363704028	-0.1576496589	-0.050981
+O	 1.1420759901	 1.0615528214	 0.8868258006	-0.267664
+C	 2.2160595031	 1.6999735985	 1.4039836369	 0.248218
+C	 3.5406842216	 1.607178376	 1.0910003499	-0.157178
+O	 4.2555538697	 2.4555311562	 1.8927088929	-0.157154
+C	 3.364640562	 3.0760236108	 2.7059606045	-0.0756
+C	 2.0922269908	 2.6642891525	 2.4654519603	 0.114971
+C	 0.8234093148	 3.091334651	 3.1304309183	-0.500456
+H	-0.3741936461	-1.0019687707	 0.2144653333	 0.131227
+H	-0.566521841	 0.2916808692	-0.983253002	 0.131227
+H	 0.2958930564	-1.1980217201	-1.4178268829	 0.119851
+H	 2.1165440475	-0.6330471036	 0.2142345243	 0.103402
+H	 1.9240376813	 0.6618262754	-0.9846433035	 0.103401
+H	 4.1082179427	 1.0337981161	 0.3804886091	 0.129271
+H	 3.779850954	 3.7845600744	 3.4046493972	 0.131668
+H	 1.0182003663	 3.8379781927	 3.9049342958	 0.121527
+H	 0.1213412664	 3.5251100745	 2.4097728776	 0.132711
+H	 0.312476619	 2.2424844241	 3.5982106927	 0.132707
+19
+0 69	3.1596828	1.0686932	0.8422922	1.4719	78.88	-0.21798	0.02407	0.24205000000000002	1385.4892	0.156069	-422.567753	-422.558292	-422.557348	-422.602748	33.24
+C	 1.4358413436	-0.1747765403	 0.2168948375	-0.21983
+O	 0.0291686477	-0.1571371103	 0.2572933744	-0.23101
+C	-0.4770313069	 0.8686405779	 1.0969172717	-0.20052
+C	-1.965441083	 0.7838758881	 1.1404386474	 0.172663
+C	-2.8522668079	 1.7348254387	 0.746552359	-0.105126
+O	-4.1280422227	 1.320322618	 0.9437383121	-0.149055
+C	-4.0495947488	 0.065365298	 1.4718147963	-0.098153
+C	-2.7574782888	-0.3247711405	 1.6221786338	 0.167858
+C	-2.2457505401	-1.6243765379	 2.1595585454	-0.50784
+H	 1.8736743871	-0.3431239555	 1.2142293475	 0.101923
+H	 1.7339697539	-0.9933155529	-0.4426022474	 0.127654
+H	 1.845924079	 0.7679749936	-0.179647153	 0.103049
+H	-0.0509611932	 0.7561050396	 2.109870408	 0.090882
+H	-0.1623229494	 1.858893406	 0.7278670349	 0.09145
+H	-2.7348363676	 2.7203699646	 0.3253027837	 0.134819
+H	-4.9924374223	-0.4136806634	 1.680554045	 0.13171
+H	-1.6775258258	-1.4792839499	 3.0866299372	 0.123649
+H	-3.0658145906	-2.3135469584	 2.3788982154	 0.119743
+H	-1.570580164	-2.1009489052	 1.4428869112	 0.146134
+19
+0 70	6.138257	0.7422656	0.6704697	1.1869	79.65	-0.19111	0.03862	0.22973	1688.2938	0.15641	-422.570159	-422.560921	-422.559977	-422.606061	32.682
+C	 5.8610113873	 3.3034126759	-1.1823534635	-0.385303
+C	 5.1660120603	 2.2952949187	-0.2631843336	-0.186895
+C	 3.6979747683	 2.1213876606	-0.6167736562	-0.054769
+O	 3.1440567635	 1.1640687273	 0.2962168152	-0.279145
+C	 1.8514700439	 0.8550708333	 0.1672871727	 0.454478
+C	 1.0783658677	-0.0068331244	 0.8836051873	-0.321686
+C	-0.2270088029	 0.0768336106	 0.2899952436	-0.159664
+C	-0.1448755404	 0.9697054094	-0.7250068	-0.036479
+O	 1.1399489035	 1.4604818189	-0.8121687284	-0.187239
+H	 6.9146632669	 3.4149155716	-0.9123136906	 0.121424
+H	 5.8180971711	 2.9855715568	-2.2298169344	 0.119986
+H	 5.3945489252	 4.2924333482	-1.1167508507	 0.119981
+H	 5.6602099778	 1.3192485881	-0.3256282175	 0.112031
+H	 5.2396930133	 2.6184031964	 0.7813101088	 0.112033
+H	 3.1530147634	 3.0698400597	-0.531087717	 0.113294
+H	 3.5765546629	 1.7613782235	-1.6461142385	 0.113277
+H	 1.398658835	-0.612114388	 1.7143698586	 0.107131
+H	-1.1096556584	-0.4659849188	 0.5908789796	 0.108702
+H	-0.8378509786	 1.362315692	-1.4482110253	 0.128843
+19
+0 71	5.7206048	0.7380418	0.6618257	0.9037	79.33	-0.21246	0.02346	0.23592000000000002	1694.338	0.156222	-422.568543	-422.559247	-422.558303	-422.605038	32.333
+C	 6.116478842	 1.1643449755	-0.8400075947	-0.387321
+C	 5.0422812278	 2.1199794139	-0.3505312758	-0.021826
+O	 3.8272733504	 1.4059379987	-0.2328542383	-0.240866
+C	 2.759522585	 2.2016200419	 0.2162742803	-0.169244
+C	 1.5429957854	 1.3427563248	 0.298916873	 0.34008
+C	 1.3092180929	 0.0312113168	 0.0358773937	-0.252902
+C	-0.0818052834	-0.1887158739	 0.3156206496	-0.172348
+C	-0.578581844	 1.0049866661	 0.724975429	-0.024518
+O	 0.4017785389	 1.9534943579	 0.7208410414	-0.184902
+H	 6.2448287727	 0.3384470553	-0.134771212	 0.128678
+H	 5.8428904372	 0.7460219986	-1.8126807065	 0.128675
+H	 7.0723742122	 1.6864985594	-0.942161019	 0.116278
+H	 5.3224905616	 2.5535473856	 0.6243960748	 0.088664
+H	 4.9204121409	 2.9611829315	-1.0537442209	 0.088666
+H	 2.9823060485	 2.6437712016	 1.2044407042	 0.104058
+H	 2.5815075735	 3.0504206005	-0.4688878876	 0.104059
+H	 2.038183018	-0.6815064478	-0.3120418535	 0.116991
+H	-0.6296286894	-1.1132992386	 0.2219514403	 0.108349
+H	-1.5515639701	 1.3429598724	 1.0402401921	 0.12943
+19
+0 72	5.603084	0.6994806	0.6625586	0.9755	79.57	-0.21598	0.01992	0.2359	1714.4147	0.156773	-422.568346	-422.559189	-422.558244	-422.603651	32.134
+C	 1.4025134993	-0.2616988916	 0.0495195216	-0.228789
+O	 0.0144632726	-0.0320288586	 0.063233201	-0.229292
+C	-0.4127606128	 0.6768127967	 1.204300822	-0.04702
+C	-1.9297637382	 0.8606743691	 1.1056770112	-0.324212
+C	-2.5045780411	 1.5830346065	 2.2730347281	 0.358078
+C	-3.0927031303	 2.8005644748	 2.4295312204	-0.275267
+C	-3.4273562351	 2.9216464829	 3.8188171033	-0.168575
+C	-3.0151428186	 1.7688119936	 4.4031934501	-0.020998
+O	-2.4513404994	 0.942765369	 3.4802697847	-0.179987
+H	 1.727675564	-0.8559108587	 0.9183869835	 0.104221
+H	 1.6343420283	-0.8158598445	-0.8633561792	 0.126643
+H	 1.9736038422	 0.6805765112	 0.047837272	 0.103352
+H	-0.1582450384	 0.1266363815	 2.1247204314	 0.099309
+H	 0.0845228739	 1.6597564168	 1.2634254465	 0.089436
+H	-2.1626505581	 1.4203749237	 0.1953223154	 0.122048
+H	-2.3884133682	-0.1300154156	 1.0024872039	 0.125403
+H	-3.2703026845	 3.523845137	 1.6488295965	 0.106284
+H	-3.910265538	 3.753156783	 4.3075946836	 0.109272
+H	-3.0462670876	 1.3903816032	 5.411504454	 0.130094
+19
+0 73	5.3895157	0.6659358	0.6315599	1.7797	78.87	-0.21495	0.02032	0.23527	1759.1469	0.157236	-422.582047	-422.572921	-422.571977	-422.617236	32.599
+O	 6.2130122415	 1.8066003092	-1.2645153259	-0.418248
+C	 5.3232028478	 2.0725574109	-0.1930171129	-0.05715
+C	 3.9464676849	 1.4382059357	-0.3905784581	-0.193537
+C	 2.9655001703	 1.7912460165	 0.7435604906	-0.323597
+C	 1.6160296059	 1.1839918014	 0.5751161	 0.3765
+C	 0.9026575608	 0.2657070813	 1.2828349608	-0.277815
+C	-0.3427306521	 0.0905150117	 0.5927407749	-0.168406
+C	-0.2916707821	 0.9153263996	-0.482965775	-0.021327
+O	 0.8913786286	 1.5881108506	-0.5104707431	-0.179828
+H	 6.3368085205	 0.8532946531	-1.3132112137	 0.280314
+H	 5.7502257029	 1.7509667764	 0.7719203551	 0.083414
+H	 5.2304075089	 3.1638675535	-0.1516126812	 0.112151
+H	 3.5368883169	 1.7673390183	-1.3511123775	 0.123084
+H	 4.0514131062	 0.3460531763	-0.4477947597	 0.091214
+H	 3.3670338703	 1.4550611626	 1.705893899	 0.112868
+H	 2.8722295538	 2.8840372918	 0.8079668883	 0.11814
+H	 1.2230188134	-0.2260624641	 2.188250349	 0.103422
+H	-1.1592948578	-0.5590280738	 0.8663244722	 0.108812
+H	-0.9737152807	 1.1366088289	-1.2871050429	 0.129986
+19
+0 74	6.3189494	0.6987882	0.6366924	1.9032	78.71	-0.20119	0.02288	0.22407000000000002	1748.2994	0.15666	-422.563088	-422.553975	-422.553031	-422.598162	32.558
+C	 0.3430402676	 6.6209415545	-1.279216464	-0.384807
+C	 1.121425759	 5.5876295489	-0.4613668353	-0.188465
+C	 0.5498664892	 4.1858358422	-0.6114787951	-0.052665
+O	 1.3348539508	 3.3032283883	 0.1804531008	-0.274333
+C	 0.9760949211	 1.997742882	 0.1747203805	 0.303309
+C	 1.6220085861	 1.0229844966	 0.8775999868	-0.119735
+O	 1.0154057353	-0.1809494285	 0.6591731262	-0.139827
+C	-0.0166124572	 0.0368159105	-0.1849168559	 0.013074
+C	-0.1010207474	 1.3514804689	-0.5242980521	-0.319818
+H	 0.3611202714	 6.3814286477	-2.3481508754	 0.118238
+H	-0.7062858571	 6.669712223	-0.968033517	 0.118248
+H	 0.7715309095	 7.619435776	-1.1564066557	 0.120894
+H	 2.172734982	 5.5698955639	-0.7700140605	 0.111531
+H	 1.1115119641	 5.8557017696	 0.6011159275	 0.111538
+H	-0.4988568334	 4.1574236039	-0.2791669221	 0.100412
+H	 0.5740832754	 3.8683157288	-1.6648763998	 0.100418
+H	 2.4729208892	 1.0279409148	 1.5350717087	 0.134279
+H	-0.5974595052	-0.8300726031	-0.4536978084	 0.134535
+H	-0.8289218105	 1.7983928322	-1.1808701292	 0.113173
+19
+0 75	5.4929973	0.7347959	0.6560771	1.6877	78.53	-0.21779	0.02571	0.24350000000000002	1700.1545	0.156451	-422.566988	-422.557778	-422.556834	-422.602551	32.297
+C	 1.6331159525	 6.1525572547	 1.5907339039	-0.386978
+C	 1.0581583364	 5.5017743346	 0.3442312972	-0.0217
+O	 1.0330885372	 4.1027334323	 0.5393067392	-0.243626
+C	 0.5144830515	 3.394096366	-0.5624459586	-0.176123
+C	 0.5323521046	 1.9313476615	-0.2557073668	 0.217149
+C	 0.9715942509	 1.3435900639	 0.8879627446	-0.077143
+O	 0.8374877669	-0.0099033672	 0.815765622	-0.14729
+C	 0.3016246974	-0.287285183	-0.3999563397	 0.008295
+C	 0.0919200538	 0.8557438219	-1.1016529548	-0.294127
+H	 2.6484063867	 5.7915958237	 1.7776994742	 0.127621
+H	 1.6666892501	 7.2396791151	 1.4725572575	 0.115441
+H	 1.0187246942	 5.9165408587	 2.464164051	 0.127632
+H	 0.0391395799	 5.8759162819	 0.1462387539	 0.086487
+H	 1.6689457625	 5.7509847764	-0.5403109681	 0.08649
+H	-0.5153400485	 3.7273498202	-0.7856305984	 0.096662
+H	 1.1087323248	 3.603599855	-1.4704065183	 0.096681
+H	 1.3872040106	 1.7360071683	 1.7989799675	 0.144923
+H	 0.1320417372	-1.3299532445	-0.6121662047	 0.133791
+H	-0.3228788885	 0.9321167905	-2.0951281716	 0.105815
+19
+0 76	5.6490904	0.6663258	0.6373707	1.0879	78.45	-0.22176	0.02018	0.24194000000000002	1761.0966	0.156898	-422.564877	-422.555746	-422.554802	-422.600118	32.116
+C	 1.4352148107	 0.0133714609	-0.1243252804	-0.228265
+O	 0.0424318809	-0.0617600868	 0.0573803103	-0.227667
+C	-0.408183291	 0.6843688241	 1.165324528	-0.039415
+C	-1.9264524615	 0.5256582962	 1.2658114362	-0.337818
+C	-2.5125910024	 1.3093365175	 2.4011297413	 0.236271
+C	-3.0318796334	 0.8198908207	 3.559726305	-0.100015
+O	-3.4580750635	 1.8252680021	 4.3709331211	-0.141231
+C	-3.2039479103	 2.9881600249	 3.7165244996	 0.006291
+C	-2.6286393852	 2.7409726625	 2.512781926	-0.279518
+H	 1.9841702967	-0.3786399979	 0.7469259653	 0.103227
+H	 1.6854925346	-0.5913025713	-0.9995408973	 0.126326
+H	 1.7703375871	 1.0483000717	-0.3002012323	 0.102367
+H	 0.0706177264	 0.3325836815	 2.0949192219	 0.088908
+H	-0.1407436331	 1.7489468231	 1.0501408254	 0.086186
+H	-2.3653210687	 0.8412538843	 0.312076512	 0.116502
+H	-2.1568601558	-0.538317828	 1.3819105356	 0.111689
+H	-3.1709614987	-0.1796217523	 3.9386528211	 0.133207
+H	-3.4917516776	 3.8885489301	 4.233763927	 0.134501
+H	-2.3271623651	 3.4766008768	 1.7826923443	 0.108454
+19
+0 77	5.4577044	0.6335518	0.6062333	0.8178	77.68	-0.22143	0.02079	0.24222	1809.9375	0.157287	-422.57849	-422.569346	-422.568402	-422.613797	32.623
+O	 0.5905611737	 6.4801245082	 1.4852193342	-0.419214
+C	 1.0414199264	 5.6601386735	 0.4191542891	-0.055119
+C	 0.7587644056	 4.1752568611	 0.6475639677	-0.188306
+C	 1.1826660085	 3.2978718997	-0.5443129232	-0.336571
+C	 0.9135202437	 1.8374802987	-0.3332979205	 0.255773
+C	 1.8287166783	 0.8407736362	-0.1929321188	-0.1036
+O	 1.2209826738	-0.3621332633	-0.0022052783	-0.142098
+C	-0.1168735375	-0.1288327774	-0.020979011	 0.006716
+C	-0.368152424	 1.1898698367	-0.2180692212	-0.278875
+H	 1.0638558556	 6.2136596563	 2.2798567292	 0.280079
+H	 0.5044239252	 6.0117004704	-0.4693029243	 0.1105
+H	 2.1162485757	 5.8120212191	 0.2237451409	 0.08398
+H	 1.2880715601	 3.8361531228	 1.548711489	 0.091217
+H	-0.3111457772	 4.0485812752	 0.849014907	 0.11037
+H	 0.656394502	 3.6440851809	-1.44406132	 0.109992
+H	 2.2517247285	 3.4430576608	-0.7419244806	 0.102183
+H	 2.9064400435	 0.8239687093	-0.2088065017	 0.13024
+H	-0.7446780376	-0.9939924706	 0.1151277628	 0.134305
+H	-1.3401038943	 1.6551388123	-0.2801064102	 0.108427
+19
+0 78	3.1865709	1.2195854	0.9489826	1.0475	78.33	-0.24985	0.03972	0.28957	1239.7193	0.157248	-422.519988	-422.511439	-422.510495	-422.55296	32.558
+C	-0.0639245122	 0.0989261972	 0.1855550388	-0.406128
+C	 1.1368009286	 0.0742773603	 0.1600136388	 0.315387
+C	 2.5969895153	 0.0125735161	 0.1515206785	-0.098555
+C	 3.1460964479	-0.6691654645	 1.422399608	-0.186695
+C	 4.6600319468	-0.9205604823	 1.3815865931	-0.212627
+C	 5.4999363304	 0.27389758	 0.9183990906	-0.077161
+O	 5.2488295607	 0.5508135549	-0.4591807413	-0.237191
+C	 4.2576847665	 1.5105625622	-0.698661144	-0.007432
+O	 3.1097278491	 1.3512468593	 0.0924199276	-0.247036
+H	-1.125416531	 0.1285400435	 0.1968782097	 0.195968
+H	 2.9238807951	-0.5464743784	-0.7368966535	 0.111831
+H	 2.8868605169	-0.0160735355	 2.2630000351	 0.116501
+H	 2.6174743136	-1.6157623907	 1.5771014382	 0.1088
+H	 4.9986864052	-1.2304489344	 2.3777657906	 0.097934
+H	 4.8790832008	-1.7527718779	 0.7014667584	 0.109144
+H	 5.3109153638	 1.1616632722	 1.5365039258	 0.105337
+H	 6.5645370602	 0.029373365	 0.9914254803	 0.107003
+H	 4.6060097367	 2.5281614341	-0.4688720754	 0.101781
+H	 4.0338064457	 1.4243314289	-1.7718670894	 0.103139
+19
+0 79	3.0275623	1.2341043	1.0262171	0.4794	77.67	-0.24564	0.03176	0.2774	1200.0186	0.157093	-422.509138	-422.500534	-422.49959	-422.542395	32.644
+C	 0.2149919121	 0.3962651796	 0.824224838	-0.463525
+C	 1.2601885099	 0.0900017261	 0.3150421407	 0.336408
+C	 2.5470438785	-0.2584617136	-0.2997351584	-0.070895
+C	 3.1662673281	 0.9736652434	-1.0125344865	-0.235602
+C	 4.69290583	 0.9219430395	-1.1487129074	-0.080694
+O	 5.3541116375	 1.3593614914	 0.0274779176	-0.243411
+C	 5.4160903384	 0.4120831395	 1.072952159	-0.06825
+C	 4.056021545	-0.0600101462	 1.5825513879	-0.096556
+O	 3.4187716625	-0.8982258192	 0.6265610661	-0.250715
+H	-0.7135542303	 0.6521843811	 1.2719858944	 0.199852
+H	 2.3707990747	-1.0381838426	-1.0500412983	 0.115109
+H	 2.703878734	 1.0549419264	-2.0027401539	 0.110654
+H	 2.9147070434	 1.8903292346	-0.4714081094	 0.123322
+H	 5.0320278595	-0.0846593678	-1.4371239008	 0.098175
+H	 5.0041945534	 1.6207321705	-1.9314358614	 0.106996
+H	 5.9878124097	-0.4759777965	 0.7569721776	 0.094868
+H	 5.9638118836	 0.9006112888	 1.8867506384	 0.104788
+H	 4.20685108	-0.6721248415	 2.4795631145	 0.108886
+H	 3.4190359899	 0.7899802364	 1.8594327819	 0.11059
+19
+0 80	3.340681	1.1479431	0.9332747	0.5339	78.	-0.25423	0.05157	0.3058	1258.4976	0.157594	-422.522456	-422.513902	-422.512957	-422.555485	32.471
+C	-0.0423165618	-0.0676204478	 0.3306991547	-0.445106
+C	 1.1556998324	-0.0404055065	 0.2328610397	 0.303346
+C	 2.6059192417	 0.0036280417	 0.0730056626	-0.175259
+C	 3.1369869291	 1.4449808737	 0.2570629328	-0.191012
+C	 4.6150889175	 1.6258114195	-0.0953703272	-0.098877
+O	 4.8147455427	 1.4657739675	-1.4978946753	-0.237267
+C	 5.1777539464	 0.1754661082	-1.90113204	-0.004673
+O	 4.4203072343	-0.844015326	-1.3037462578	-0.240525
+C	 3.0171794273	-0.6292447138	-1.2795729684	-0.090544
+H	-1.0989084995	-0.0971960186	 0.4320883025	 0.19462
+H	 3.0633197183	-0.6328320179	 0.842975483	 0.112377
+H	 2.5567775845	 2.1237370547	-0.3776115169	 0.118949
+H	 2.9682624458	 1.7559938459	 1.2942316718	 0.106961
+H	 4.9230990719	 2.6486943677	 0.1443303381	 0.108173
+H	 5.2539054298	 0.9367386542	 0.4732426456	 0.104566
+H	 5.0644738348	 0.1804423909	-2.9949718298	 0.101362
+H	 6.2180228106	-0.0618807458	-1.6333007511	 0.099627
+H	 2.6879460847	-0.0014648219	-2.1166978866	 0.114711
+H	 2.5430009596	-1.6098757259	-1.3755929478	 0.118571
+19
+0 81	3.1437544	1.219741	0.9400767	0.9375	78.4	-0.24646	0.03472	0.28118	1248.7588	0.156956	-422.507205	-422.498482	-422.497537	-422.540675	32.741
+C	 0.0362091976	-0.0567098459	 0.3185390827	-0.412557
+C	 1.2319894404	-0.0431220757	 0.2046676155	 0.319855
+C	 2.6877452576	 0.0262648221	 0.0923789064	-0.115709
+C	 3.1867316305	 1.4414347923	 0.4567254731	-0.077323
+O	 4.5854045377	 1.527850046	 0.5783071596	-0.248676
+C	 5.3309205522	 1.243667604	-0.5985896584	-0.066872
+C	 5.5242986009	-0.2623024294	-0.8079571911	-0.228521
+C	 4.2896025601	-0.9855043445	-1.394058341	-0.075831
+O	 3.0642010443	-0.2851859925	-1.2459800152	-0.252086
+H	-1.021277922	-0.0853697794	 0.4132896694	 0.19874
+H	 3.1378709781	-0.6944962382	 0.7925166765	 0.103494
+H	 2.8061828672	 2.1312613478	-0.3121205814	 0.105463
+H	 2.7762084845	 1.7369445695	 1.4267580403	 0.116239
+H	 4.8618316621	 1.7106104549	-1.4765648797	 0.101815
+H	 6.3063609222	 1.7148373376	-0.4426640662	 0.106266
+H	 6.3795818841	-0.4296527439	-1.4736318282	 0.100669
+H	 5.7980316135	-0.6862795393	 0.1640866516	 0.113182
+H	 4.3968757056	-1.0999947668	-2.4766063892	 0.114426
+H	 4.2050937135	-1.9956423584	-0.9648142148	 0.097424
+19
+0 82	2.315058	1.4814528	1.2437558	0.5264	77.	-0.24559	0.04787	0.29346	1103.6752	0.157219	-422.507335	-422.498661	-422.497717	-422.541147	32.517
+C	-0.1724574756	-0.0014230534	 0.2586669333	-0.495076
+C	 1.0269421269	 0.0141419364	 0.1770062215	 0.35671
+C	 2.4847364482	 0.0038111864	 0.0922852072	-0.2131
+C	 3.0438311775	 1.4371850437	-0.1050060511	-0.07891
+O	 2.537892236	 2.3800648334	 0.8149571914	-0.235345
+C	 3.1603719273	 2.3898618006	 2.0831734472	-0.065329
+C	 3.0428088498	 1.0732934847	 2.8434358014	-0.097647
+O	 3.8252600382	 0.0634817327	 2.2218173234	-0.242282
+C	 3.1402292443	-0.7542685808	 1.3002558483	-0.0926
+H	-1.2322517076	-0.004882167	 0.3233874261	 0.19672
+H	 2.7612373075	-0.5513488221	-0.8150868206	 0.109631
+H	 4.1425654967	 1.401550984	-0.0751001278	 0.100547
+H	 2.7335355628	 1.7917973315	-1.092215663	 0.115107
+H	 4.2302207558	 2.6361928271	 1.9851646713	 0.095274
+H	 2.6734327795	 3.1913664924	 2.6495870918	 0.106549
+H	 3.4417912199	 1.2092139757	 3.8562681754	 0.105871
+H	 1.9909041767	 0.7668721758	 2.9243588874	 0.114674
+H	 3.9015216069	-1.4409292296	 0.9194327942	 0.111274
+H	 2.3685728593	-1.3503496616	 1.8066276525	 0.107931
+19
+0 83	3.0417346	1.3275589	1.1017344	0.9049	76.94	-0.26273	0.03704	0.29977000000000004	1151.6824	0.157368	-422.513143	-422.504513	-422.503569	-422.546783	32.412
+C	-0.0511062084	 0.0975493044	 0.4438686309	-0.429361
+C	 1.137515823	 0.0150748918	 0.2950678361	 0.319837
+C	 2.5897417577	-0.0432085147	 0.0662006675	-0.001862
+O	 3.2133337394	 1.209250688	 0.2079529362	-0.235171
+C	 3.2791167089	 1.7167155805	 1.54324198	-0.077296
+C	 4.2442871642	 0.9139370456	 2.4486349876	-0.207845
+C	 5.2328192931	 0.0847010372	 1.6177853166	-0.207014
+C	 4.5306457883	-1.1146568789	 0.9294533905	-0.063553
+O	 3.1068667236	-1.0158934207	 0.9378817634	-0.24301
+H	-1.1028010961	 0.1636059651	 0.5783085608	 0.19991
+H	 2.7919303299	-0.3155087173	-0.9817383527	 0.101224
+H	 3.6401647657	 2.7402285209	 1.4126584121	 0.109516
+H	 2.2735096482	 1.7652278523	 1.9790786164	 0.110112
+H	 4.7925173211	 1.6123872361	 3.0901329984	 0.093721
+H	 3.6774351156	 0.2507747808	 3.1079776663	 0.114727
+H	 5.7040823033	 0.7252387401	 0.8665668757	 0.110695
+H	 6.0328717786	-0.2933204939	 2.2630749958	 0.094873
+H	 4.8948998198	-1.2448377582	-0.0994792841	 0.098612
+H	 4.7318638841	-2.0404115592	 1.4746116924	 0.111887
+19
+0 84	3.988966	0.9710546	0.8276645	1.8409	77.37	-0.25862	0.05255	0.31117	1379.4607	0.15706	-422.527613	-422.518957	-422.518012	-422.561189	32.498
+C	-0.0140819487	-0.0119844642	 0.3774222029	-0.438023
+C	 1.17280537	 0.0378699944	 0.198021615	 0.30758
+C	 2.615065383	 0.0767755962	-0.0074437798	-0.378811
+C	 3.0977106096	-0.8486872492	-1.1306667713	 0.129715
+C	 4.6261085624	-0.9358909229	-1.2182145703	-0.216325
+C	 5.007499721	-1.7089158194	-2.4842629281	-0.097168
+O	 4.3711868761	-1.1458101645	-3.622958584	-0.231824
+C	 2.9792461174	-1.1128823393	-3.4540193078	 0.017502
+O	 2.581528274	-0.3359909639	-2.3549741351	-0.245558
+H	-1.0641183378	-0.0463224741	 0.5300541475	 0.194444
+H	 2.9336897689	 1.0982868347	-0.2483574968	 0.140863
+H	 3.128974373	-0.2060312083	 0.9199224018	 0.128409
+H	 2.6872101164	-1.8594665072	-0.9639284577	 0.076436
+H	 5.0421200205	 0.0765479575	-1.2703254073	 0.112994
+H	 5.0364694102	-1.4315480841	-0.3311030355	 0.099205
+H	 6.0829241689	-1.6698448863	-2.6745786107	 0.114516
+H	 4.7173051205	-2.7686300649	-2.3788936468	 0.089969
+H	 2.5572818071	-0.6451708396	-4.3453770341	 0.120226
+H	 2.5913776377	-2.1442232648	-3.3410960321	 0.07585
+19
+0 85	3.9685358	0.9758663	0.8298006	0.5669	77.8	-0.23782	0.05476	0.29258	1378.337	0.156672	-422.5183	-422.509534	-422.50859	-422.552031	32.763
+C	-0.0164124232	 0.0794805934	 0.3011800949	-0.437088
+C	 1.1788258011	-0.00648288	 0.2165864688	 0.310135
+C	 2.6283906008	-0.0965488957	 0.0989748218	-0.383331
+C	 3.0913046987	-1.0228437247	-1.0317430509	 0.117463
+C	 4.6068473733	-0.9640849573	-1.2408291125	-0.093794
+O	 5.0191061063	-1.9036820326	-2.2180560096	-0.253143
+C	 4.6244653446	-3.2207993658	-1.8648065186	-0.079462
+C	 3.1150118839	-3.2860990863	-1.6660185727	-0.078583
+O	 2.7069108812	-2.3457172319	-0.6843090236	-0.259126
+H	-1.0726813156	 0.148438118	 0.3818997501	 0.194343
+H	 3.0471259202	 0.9035171784	-0.0725277188	 0.130446
+H	 3.0573013989	-0.4638464825	 1.039503024	 0.139231
+H	 2.597762597	-0.7328507721	-1.9737862416	 0.083119
+H	 4.9137321478	 0.0210194071	-1.6054530317	 0.109939
+H	 5.1137068674	-1.1596602624	-0.2800722843	 0.089351
+H	 4.9448867102	-3.8761794314	-2.6802707051	 0.109379
+H	 5.1316764594	-3.5346968243	-0.9376237478	 0.093771
+H	 2.6073765367	-3.0832379412	-2.6228010226	 0.097537
+H	 2.8056981012	-4.2722692887	-1.3068452897	 0.109813
+19
+0 86	3.8862663	0.9626346	0.8132931	1.6291	76.84	-0.26075	0.04785	0.3086	1387.4779	0.157338	-422.524554	-422.515912	-422.514968	-422.558104	32.374
+C	-0.1617031951	-0.1093777308	 0.1390497198	-0.434323
+C	 1.0390687455	-0.06107953	 0.1154018136	 0.297717
+C	 2.4966256158	-0.0079430617	 0.1155616459	-0.380935
+C	 3.1164372882	-0.2312356687	 1.5088834186	-0.007888
+C	 2.7058909054	 0.8554728577	 2.5121278132	-0.088304
+O	 3.3834963198	 0.6779793591	 3.7477439841	-0.233259
+C	 4.7728703207	 0.6786489317	 3.5670343199	 0.014836
+O	 5.2143177812	-0.3616549175	 2.7344346657	-0.236383
+C	 4.6493378676	-0.2547332769	 1.4370131859	-0.100632
+H	-1.2226241635	-0.1527613826	 0.1481443958	 0.198206
+H	 2.8872941431	-0.764678806	-0.5776143457	 0.134073
+H	 2.825839674	 0.9631270911	-0.2797594494	 0.130966
+H	 2.7793155373	-1.1968253576	 1.9014667765	 0.103012
+H	 2.9386829525	 1.8521271078	 2.0950028867	 0.084788
+H	 1.6359053393	 0.818248109	 2.7259813788	 0.127438
+H	 5.0957981068	 1.6527075499	 3.1483613353	 0.072273
+H	 5.2261372413	 0.5179959254	 4.5469190535	 0.119175
+H	 5.0127556833	 0.6639343734	 0.9414375459	 0.085379
+H	 5.0131568667	-1.1132242035	 0.8648712759	 0.113861
+19
+0 87	3.9257447	1.0072401	0.8506545	2.1066	77.53	-0.2575	0.05721	0.31471	1362.0012	0.156857	-422.529829	-422.521162	-422.520218	-422.563399	32.616
+C	 0.0306036239	 0.0372311388	 0.4166376634	-0.453254
+C	 1.2060523377	 0.0188437585	 0.1695230826	 0.309178
+C	 2.6346634564	-0.007730927	-0.109211443	-0.384476
+C	 3.1325442085	-1.3776290732	-0.5682635491	 0.216878
+O	 4.5377230391	-1.3119546272	-0.6194705497	-0.24952
+C	 5.105789478	-2.5420635396	-1.0544056427	-0.081147
+C	 4.534718639	-2.9435681475	-2.416093492	-0.207379
+C	 3.0074312908	-2.9101815359	-2.3302368289	-0.076895
+O	 2.5707350351	-1.6546871595	-1.8238953274	-0.243451
+H	-1.0100483724	 0.0566193329	 0.6253829916	 0.194243
+H	 2.8907568928	 0.7132661861	-0.8935436377	 0.146157
+H	 3.2048972744	 0.2688055114	 0.7840218251	 0.14075
+H	 2.8318787442	-2.167713855	 0.1472340944	 0.063438
+H	 6.1870461013	-2.387809781	-1.0913070555	 0.113259
+H	 4.8982906614	-3.3303524711	-0.3106456437	 0.090612
+H	 4.8711234487	-2.2307843468	-3.176074104	 0.116176
+H	 4.8850730363	-3.9417650385	-2.7013014271	 0.099713
+H	 2.5376701587	-3.0294780293	-3.3095621746	 0.114115
+H	 2.6459806861	-3.7222379162	-1.6766215416	 0.091604
+19
+0 88	5.3976584	0.7075335	0.6665777	0.9205	77.57	-0.25693	0.05598	0.31291	1662.1708	0.156164	-422.521647	-422.512338	-422.511394	-422.557044	32.958
+C	-0.0958931593	 0.2138169101	 0.4358995821	-0.437298
+C	 1.0817879341	 0.0869417171	 0.2311172422	 0.291267
+C	 2.5113870535	-0.0888336861	 0.0101998848	-0.355394
+C	 3.1650873792	-1.0284449988	 1.0426508785	-0.19943
+C	 4.6605174971	-1.1993834638	 0.8027676493	 0.112565
+C	 5.3775422771	-2.0796502753	 1.8474044012	-0.135111
+O	 6.6319310413	-1.439776486	 2.0195247206	-0.23191
+C	 6.3441649909	-0.0722352825	 1.8971550414	 0.025926
+O	 5.3471002554	 0.0564489151	 0.901386729	-0.272845
+H	-1.1367092414	 0.3365003312	 0.6052331447	 0.193134
+H	 2.6804824123	-0.4825056638	-1.0009854706	 0.127827
+H	 3.0195499659	 0.8812461628	 0.0496825988	 0.151025
+H	 3.0021857525	-0.6302920172	 2.0503001175	 0.113278
+H	 2.6805918017	-2.0116889035	 1.0024567299	 0.110918
+H	 4.831596081	-1.591269141	-0.2099799619	 0.082824
+H	 4.8129109738	-2.1013904005	 2.7932579046	 0.09671
+H	 5.5531909808	-3.1037832734	 1.5131296863	 0.122327
+H	 5.9773023614	 0.3403065795	 2.8549456843	 0.084576
+H	 7.2503310227	 0.4554483561	 1.5841015073	 0.119611
+19
+0 89	5.5961045	0.7206523	0.6703543	1.8869	78.36	-0.25437	0.05962	0.31399	1661.8055	0.155852	-422.524693	-422.515234	-422.514289	-422.560972	33.097
+C	-0.1162921868	-0.0973771022	 0.2499147072	-0.43465
+C	 1.084560577	-0.0804704641	 0.2017447177	 0.291583
+C	 2.5396589446	-0.0306240168	 0.139685125	-0.357708
+C	 3.0756249871	 1.3901655381	-0.1208913345	-0.209084
+C	 4.5902406687	 1.4112285452	-0.2101753013	 0.219615
+O	 5.0480148971	 2.7267503135	-0.4041993176	-0.25111
+C	 6.3777109318	 2.7311018871	 0.0907199741	-0.112539
+C	 6.3003435817	 1.775697559	 1.2945039487	-0.085645
+O	 5.1736894151	 0.9525000591	 1.0040041801	-0.273961
+H	-1.1765358315	-0.1251991698	 0.2951576867	 0.192516
+H	 2.966639052	-0.403584892	 1.0774320307	 0.151479
+H	 2.8938148112	-0.7081599016	-0.6489695052	 0.127864
+H	 2.6659210655	 1.7817232296	-1.0570632351	 0.120295
+H	 2.7701837793	 2.0632939301	 0.6851914841	 0.121387
+H	 4.946249088	 0.7647971688	-1.0368466299	 0.060165
+H	 7.0797284605	 2.3572414843	-0.6699710139	 0.100917
+H	 6.6489591362	 3.7555157433	 0.3530437021	 0.121213
+H	 7.2015957495	 1.1618603669	 1.4029743835	 0.107216
+H	 6.1235899131	 2.3120210313	 2.2345520175	 0.110448
+19
+0 90	4.2462125	0.9021122	0.8573175	0.9055	77.23	-0.2619	0.03596	0.29786	1405.2172	0.156601	-422.523011	-422.51393	-422.512986	-422.558034	32.742
+C	-2.5529310017	 4.044739286	 1.5715063796	-0.472455
+C	-2.2033789513	 3.365923908	 0.6431491864	 0.315312
+C	-1.7710617615	 2.5356667003	-0.4839256395	-0.224322
+O	-1.0109750871	 1.4002389086	-0.0876598251	-0.251123
+C	 0.2898531194	 1.7142201791	 0.3758707437	 0.221133
+C	 0.9576393666	 0.3882691894	 0.7927000744	-0.262568
+C	 2.1022604138	 0.2067178547	-0.2299981403	-0.211219
+C	 1.7146890429	 1.1917308618	-1.3389028953	-0.08941
+O	 1.0867046371	 2.2722802149	-0.6459442887	-0.248294
+H	-2.8677118581	 4.6475172215	 2.3872523404	 0.20126
+H	-2.6452800767	 2.1386011669	-1.0096207626	 0.135684
+H	-1.1990643832	 3.1441807804	-1.1961763932	 0.139946
+H	 0.2253589087	 2.4691546354	 1.1675224064	 0.08691
+H	 1.3220900828	 0.4338514542	 1.8206392276	 0.11092
+H	 0.215933998	-0.4103407328	 0.7310831167	 0.124417
+H	 3.0617424919	 0.4966225166	 0.2076745928	 0.109871
+H	 2.1927598693	-0.820488071	-0.5907121245	 0.105088
+H	 2.5623494703	 1.6014729915	-1.892815484	 0.10811
+H	 1.0152366188	 0.7335716846	-2.0522696346	 0.100738
+19
+0 91	4.5254448	0.7686797	0.7418755	2.0296	78.12	-0.2503	0.02981	0.28011	1559.7091	0.155821	-422.506971	-422.497722	-422.496778	-422.54246	32.966
+C	-4.7994738172	 1.613891027	-1.7635778143	-0.416183
+C	-3.7995483879	 1.5557799972	-1.1015186274	 0.284377
+C	-2.6057004713	 1.4839140828	-0.2692623818	-0.218866
+O	-1.4512345904	 1.4746562476	-1.088098207	-0.262714
+C	-0.2315322009	 1.4800764186	-0.3567340602	 0.117026
+C	 0.1797358026	 0.078765326	 0.1447233739	-0.239749
+C	 1.0548846664	-0.4222101848	-1.0074645557	-0.074937
+O	 1.7846008498	 0.726499614	-1.4144628844	-0.249726
+C	 0.8997227376	 1.8371065029	-1.3516915897	-0.094055
+H	-5.6799265088	 1.6669592163	-2.3549982181	 0.20181
+H	-2.5787807188	 2.3473911449	 0.4176350679	 0.119672
+H	-2.655719457	 0.5826184588	 0.3631241127	 0.120223
+H	-0.3052524485	 2.2065087538	 0.4643651998	 0.070364
+H	 0.7768431474	 0.1667036058	 1.0578108745	 0.108283
+H	-0.6812643201	-0.560117631	 0.3543218318	 0.106252
+H	 1.773747117	-1.1945208444	-0.7232059126	 0.108669
+H	 0.4295151259	-0.8064385627	-1.8290689639	 0.099646
+H	 1.4794367939	 2.7119290031	-1.0435865421	 0.106221
+H	 0.4390567203	 2.0409499839	-2.3278561136	 0.113687
+19
+0 92	6.6893953	0.5911487	0.5657787	1.6058	78.45	-0.25025	0.04895	0.29919999999999997	1909.548	0.15465	-422.483429	-422.473657	-422.472713	-422.519711	33.809
+C	-0.1510293115	 0.1757470715	-0.021627087	-0.445633
+C	 1.0456415601	 0.0773785103	 0.0263695697	 0.285533
+C	 2.4937614793	-0.0436118739	 0.1218722467	-0.350533
+C	 2.9697801839	-0.160604814	 1.5734995865	-0.062959
+O	 4.3789320683	-0.2717208198	 1.5492451951	-0.248989
+C	 4.9610089804	-0.3492548329	 2.8205352846	 0.090689
+C	 6.4868301576	-0.5176640763	 2.7781475115	-0.098878
+O	 6.4191356789	-1.7134187434	 3.5828958439	-0.271876
+C	 4.9776991887	-1.726728335	 3.5308083183	-0.093913
+H	-1.2076081473	 0.2630517295	-0.0800013416	 0.198271
+H	 2.8405553589	-0.9240931288	-0.4317559292	 0.142491
+H	 2.9812572108	 0.8246871558	-0.3368564287	 0.141801
+H	 2.6592973393	 0.7260605381	 2.1478188338	 0.104528
+H	 2.5105870411	-1.0403784946	 2.0488719721	 0.106609
+H	 4.6095859574	 0.4723084697	 3.4601012026	 0.078489
+H	 6.8578678763	-0.7134866488	 1.7643807524	 0.111595
+H	 7.0911738813	 0.264855725	 3.2493983195	 0.106195
+H	 4.5903223193	-2.5402795999	 2.9027174836	 0.102707
+H	 4.5316745773	-1.7866867725	 4.5299989662	 0.103873
+19
+0 93	5.9314503	0.6260145	0.5909886	1.1221	78.63	-0.24852	0.02748	0.27599999999999997	1849.8995	0.15451	-422.479471	-422.46964	-422.468696	-422.515984	33.793
+C	 6.5932203393	-1.0169385683	-0.8399510982	-0.412109
+C	 5.4699502891	-1.2176742927	-0.4663226193	 0.279221
+C	 4.1158059515	-1.4945879594	-0.0058978636	-0.201695
+O	 3.3077609154	-0.3435163928	-0.1544170203	-0.250189
+C	 1.9763899583	-0.5570419574	 0.2655098364	-0.063004
+C	 1.2203023493	 0.7452872602	 0.0764932962	 0.132758
+C	 0.8226064601	 1.1411436944	-1.3607003396	-0.279838
+C	-0.6232269451	 1.0179422943	-0.838290507	-0.061835
+O	-0.1629271864	 0.5987427203	 0.4670049072	-0.29616
+H	 7.5853016636	-0.833019036	-1.1711887923	 0.201274
+H	 3.6944769359	-2.3380643916	-0.5795686175	 0.119304
+H	 4.1400324885	-1.8141009207	 1.0500842115	 0.121084
+H	 1.4971611667	-1.3577576737	-0.3226953261	 0.088411
+H	 1.9338590037	-0.8557845539	 1.3263718662	 0.098299
+H	 1.720427615	 1.5396253907	 0.6454914098	 0.086248
+H	 1.1311312223	 2.1369259377	-1.6795066723	 0.115582
+H	 1.1094054625	 0.4158500512	-2.1243048987	 0.114383
+H	-1.1868390644	 1.9574677978	-0.7861176683	 0.103965
+H	-1.2515969254	 0.2552260199	-1.3130426341	 0.104302
+19
+0 94	5.6510855	0.6284496	0.5937436	1.914	78.67	-0.2465	0.02789	0.27439	1837.099	0.154583	-422.476381	-422.466562	-422.465618	-422.51297	33.63
+C	-1.9072510737	 6.775360566	-0.5073660216	-0.412049
+C	-2.0444100248	 5.6163930678	-0.2253849933	 0.2802
+C	-2.2389791016	 4.2185522914	 0.1353328818	-0.205668
+O	-1.2066487818	 3.4266288096	-0.4199397607	-0.248795
+C	-1.3394417981	 2.0562737489	-0.0994958223	-0.059014
+C	-0.1710775651	 1.3151184359	-0.7162648233	-0.047496
+C	 0.0071893435	-0.1430466127	-0.2398001083	-0.090992
+O	 1.2115724974	 0.1898509894	 0.4774847354	-0.271929
+C	 1.1939569845	 1.5416703617	-0.0326614916	-0.070189
+H	-1.7802930223	 7.7989688878	-0.760174362	 0.202003
+H	-2.2541511568	 4.117373898	 1.2342212592	 0.120485
+H	-3.2241122159	 3.8756772497	-0.2253410346	 0.119273
+H	-1.3432137016	 1.9138896641	 0.9955940467	 0.094213
+H	-2.2952540273	 1.6583664858	-0.4830479494	 0.08962
+H	-0.1740054878	 1.4586070306	-1.7984731928	 0.090227
+H	-0.7752508323	-0.5344739585	 0.4241187733	 0.098704
+H	 0.1903847669	-0.8742576922	-1.0375220225	 0.100829
+H	 1.2088174201	 2.2898090742	 0.7685302765	 0.108581
+H	 2.0320135966	 1.7323908324	-0.7142480406	 0.101998
+19
+0 95	8.8673766	0.50321	0.4937681	2.3277	79.63	-0.26219	0.05264	0.31483	2167.7343	0.153832	-422.481984	-422.471879	-422.470935	-422.518591	34.786
+C	 0.0269256255	-0.1290069635	 0.4123448114	-0.447963
+C	 1.2202558341	-0.0669111801	 0.284704167	 0.286366
+C	 2.6615997812	 0.0209859005	 0.0957200115	-0.350321
+C	 3.0320738389	 0.5344190468	-1.2997703347	-0.045488
+O	 4.4387211116	 0.5845225391	-1.3733835747	-0.246639
+C	 4.9171980372	 1.0510495969	-2.6157114491	-0.077373
+C	 6.419922974	 1.0642843202	-2.5750662388	 0.082215
+C	 7.2142344788	 0.9640743086	-3.8042310633	-0.181364
+O	 7.0886128279	-0.1489388394	-2.9206735682	-0.225382
+H	-1.0253606567	-0.1900187408	 0.5395341591	 0.196644
+H	 3.1044951896	 0.6894825472	 0.8434334712	 0.140038
+H	 3.126752432	-0.9610087812	 0.2412548548	 0.144461
+H	 2.6212074637	-0.1370963559	-2.0700239787	 0.102963
+H	 2.5932509653	 1.5316787049	-1.4647986207	 0.098894
+H	 4.5802949404	 0.4020318594	-3.4398934297	 0.097813
+H	 4.5422092896	 2.0707090794	-2.8143988526	 0.091114
+H	 6.8468300924	 1.5834320536	-1.7165761996	 0.101834
+H	 6.7111758991	 0.8574627295	-4.7650247874	 0.11401
+H	 8.1990264954	 1.4266138249	-3.8474865475	 0.118178
+19
+0 96	8.1972518	0.5058965	0.4953701	1.2212	79.68	-0.25735	0.0321	0.28945000000000004	2159.0957	0.153653	-422.477976	-422.467835	-422.466891	-422.514687	34.816
+C	-3.7420928594	 3.0049752593	-0.7329213291	-0.414142
+C	-3.0183981229	 2.0647317847	-0.5488566254	 0.279769
+C	-2.1678186826	 0.9017409494	-0.3322580743	-0.2072
+O	-0.8585082167	 1.3144764633	 0.0051354383	-0.24674
+C	 0.0098512259	 0.2220800102	 0.2293474305	-0.034889
+C	 1.3934238835	 0.7742469003	 0.5537603464	-0.240863
+C	 2.3815770033	-0.3256521125	 0.8508119822	 0.092989
+C	 3.7835704186	-0.2592352882	 0.4230459388	-0.179086
+O	 2.8477840857	-1.0859289222	-0.2703274087	-0.235956
+H	-4.3767566791	 3.8407698826	-0.8951406875	 0.200356
+H	-2.5944902906	 0.2754260424	 0.4704997772	 0.117553
+H	-2.1539128943	 0.2776491915	-1.2424541028	 0.120435
+H	-0.3632884186	-0.4002509145	 1.0619576413	 0.085312
+H	 0.0628311955	-0.4241330883	-0.6616265979	 0.108154
+H	 1.7474119154	 1.3710196674	-0.2928566788	 0.116522
+H	 1.315952828	 1.443170321	 1.4192775081	 0.114436
+H	 2.1531119729	-0.9385199056	 1.7256044803	 0.092086
+H	 4.1333500951	 0.6136162177	-0.1268837819	 0.11575
+H	 4.5495637399	-0.7895133484	 0.9872093232	 0.115514
+19
+0 97	4.3307171	1.0136083	0.9705945	1.777	76.01	-0.23426	0.08805	0.32231	1272.9895	0.156286	-422.468352	-422.460242	-422.459298	-422.501848	30.596
+C	-0.8901337836	-0.372212431	 1.1231752305	-0.379753
+C	 0.4708209786	 0.2468816154	 0.9012905867	 0.101866
+C	 0.7190110069	 1.2230405298	-0.1645918877	-0.183442
+O	 1.1504978278	-0.1325209989	-0.3003412504	-0.23668
+C	-0.7864619927	-1.7790904732	 1.6409544263	 0.439006
+C	-1.8927636395	-2.7558597586	 2.1216687804	-0.270793
+C	-0.506942335	-3.3310046388	 2.4940165562	 0.051032
+C	 0.0174440237	-2.9859676182	 1.0834029263	-0.244021
+O	-0.0997085598	-1.9814008079	 2.9515654089	-0.350732
+H	-1.4559529802	 0.2300260799	 1.8453281873	 0.11602
+H	-1.4487773825	-0.3770457636	 0.180517167	 0.112885
+H	 1.1122267904	 0.2697698955	 1.781950698	 0.113514
+H	-0.0990028143	 1.5210814438	-0.8200685555	 0.111123
+H	 1.5134793777	 1.9595343953	-0.0531281591	 0.115822
+H	-2.4888874432	-2.4008424371	 2.9636971553	 0.103811
+H	-2.4842317726	-3.2772248282	 1.364326591	 0.093731
+H	-0.2592960277	-4.1718526473	 3.1411869134	 0.094905
+H	 1.0931484949	-2.829222413	 1.0067861524	 0.117859
+H	-0.3986316189	-3.5264019039	 0.2293875129	 0.093847
+19
+0 98	4.4585124	0.961355	0.9039394	2.0844	75.98	-0.2321	0.0742	0.3063	1335.3542	0.156232	-422.485263	-422.476867	-422.475923	-422.519334	31.046
+C	-0.8077132655	-0.327385729	 1.1201993254	-0.353827
+C	 0.5700025352	 0.2709241134	 0.9288703967	 0.109643
+C	 0.8596703592	 1.2297177245	-0.1426048321	-0.184659
+O	 1.2806474824	-0.1320733639	-0.2450992506	-0.234754
+C	-0.7394262005	-1.7033222446	 1.7094746602	 0.49991
+C	-0.4376701978	-2.9798645955	 0.9895515958	-0.315703
+C	-1.6969818011	-2.8702106923	 1.8312189962	-0.209211
+C	-1.3002143341	-2.8723478747	 3.3016196369	-0.08395
+O	-0.3324705249	-1.8089755626	 3.0854374773	-0.329837
+H	-1.3958607919	 0.3209504964	 1.7820734709	 0.110999
+H	-1.3144911409	-0.3711520119	 0.1504220975	 0.110288
+H	 1.1857457782	 0.3060649501	 1.8281463916	 0.110784
+H	 0.0642840329	 1.525703475	-0.8264149337	 0.109765
+H	 1.6576252649	 1.9605182722	-0.018663207	 0.115006
+H	-0.6035850859	-2.9606654129	-0.0827036249	 0.120558
+H	 0.3934522018	-3.598962687	 1.3166572489	 0.114411
+H	-2.6937190103	-3.0147440951	 1.4364230617	 0.099111
+H	-2.0951077957	-2.5355275321	 3.9769141987	 0.107013
+H	-0.8359373559	-3.7814915399	 3.7026142404	 0.104453
+19
+0 99	4.1922718	0.9760545	0.8867899	3.0936	75.46	-0.22994	0.07647	0.30641	1331.3736	0.156303	-422.48212	-422.473754	-422.47281	-422.516095	30.968
+C	-0.8355793839	-0.3100030535	-1.2403365754	-0.366474
+C	-0.1251134587	 0.1010572813	 0.0311748366	 0.110203
+C	 0.8250901675	 1.2177175914	 0.0750583646	-0.182788
+O	 1.287112915	-0.1350626567	 0.060010436	-0.235356
+C	-0.9524886599	-1.8047524601	-1.3521932109	 0.305488
+C	-2.0863485819	-2.6320945843	-0.7670784816	-0.3449
+C	-1.7733955667	-2.7211463942	-2.2299414836	 0.037723
+O	-0.685759884	-3.6169225074	-2.4607270431	-0.288713
+C	 0.198160831	-2.7524558794	-1.6916707294	-0.120965
+H	-1.8333755824	 0.1466752083	-1.257681066	 0.104198
+H	-0.2807233275	 0.0906422147	-2.097870346	 0.106263
+H	-0.6325132625	-0.1733552975	 0.9576732699	 0.09626
+H	 1.0225721009	 1.7887798141	-0.8315549683	 0.113809
+H	 0.9888813618	 1.7573873248	 1.0066879719	 0.11587
+H	-1.8875795858	-3.4878218501	-0.1270281766	 0.1158
+H	-2.9752871118	-2.0611649106	-0.5131064512	 0.10947
+H	-2.4708166093	-2.5430756672	-3.0412108696	 0.102971
+H	 0.6901880338	-3.2793549885	-0.8667148135	 0.110261
+H	 0.9533437543	-2.2987971649	-2.3430874238	 0.110882
+19
+0 100	4.3362859	0.9782718	0.8918126	2.153	75.83	-0.24758	0.08027	0.32785	1337.437	0.156114	-422.494551	-422.486137	-422.485193	-422.528489	31.153
+C	-0.7628968321	-0.2822385116	-1.3251310266	-0.364323
+C	-0.1408588616	 0.0786880143	 0.0066848091	 0.105332
+C	 0.6938645006	 1.2717684879	 0.1813882695	-0.182757
+O	 1.2846671881	-0.025970019	 0.0878542451	-0.235126
+C	-0.8374085785	-1.766665839	-1.5171875692	 0.443431
+C	 0.3111763676	-2.7677149067	-1.7440015655	-0.277385
+C	-0.7058066223	-3.6910745437	-2.5036131031	-0.23891
+C	-1.7911417669	-2.6432793309	-2.221202111	-0.051905
+O	-1.8579946058	-2.4813819038	-0.7965957283	-0.296019
+H	-1.7759383145	 0.1337309652	-1.3781981958	 0.114448
+H	-0.1678293984	 0.1661064294	-2.1290024546	 0.108037
+H	-0.6625130059	-0.3154530652	 0.8795519219	 0.109117
+H	 0.8735007295	 1.9294493814	-0.6687586257	 0.111611
+H	 0.7625464578	 1.7490147926	 1.1578295391	 0.116147
+H	 1.0971511234	-2.3805406108	-2.3962395342	 0.109166
+H	 0.7604116145	-3.1647571555	-0.8317622307	 0.115491
+H	-0.4687230414	-3.7920000733	-3.5654283319	 0.104441
+H	-0.8962729263	-4.6779995954	-2.0757951932	 0.111513
+H	-2.6900689878	-2.4129568559	-2.7831708947	 0.09769
+19
+0 101	4.6333558	0.9772926	0.9066272	2.0809	75.62	-0.233	0.06984	0.30284	1323.5627	0.155697	-422.4697	-422.461336	-422.460392	-422.503639	31.493
+C	 1.3758019573	-0.3050688545	 0.5783162772	-0.293784
+C	 2.0636590324	 0.2895964817	-0.6360804628	-0.280873
+C	 0.5739359296	 0.4063175436	-0.4594340145	 0.125411
+O	-0.2799880646	-0.3989749069	-1.2337679094	-0.284967
+C	-0.691774271	 0.1850861498	-2.4111960864	 0.356442
+C	 0.1606374032	 0.3091191313	-3.6574951273	-0.346489
+C	-1.1383103183	-0.4539908401	-3.6955300165	 0.008826
+O	-2.2437225591	 0.4428323526	-3.8423201281	-0.28464
+C	-1.9442185196	 1.0531815882	-2.5564038102	-0.137707
+H	 1.2739138623	-1.3839228761	 0.6070253413	 0.128533
+H	 1.5079519045	 0.1664826926	 1.5452608852	 0.116869
+H	 2.6728509906	 1.1784920507	-0.514321368	 0.1153
+H	 2.4184328394	-0.4065136	-1.386690804	 0.12009
+H	 0.1595167356	 1.3832735198	-0.216192708	 0.09135
+H	 0.2564216753	 1.2478494497	-4.19699352	 0.113872
+H	 1.0468464353	-0.317080321	-3.6405698574	 0.118878
+H	-1.2613479895	-1.4818873399	-4.0142003721	 0.114855
+H	-1.8251264683	 2.1404501379	-2.6274468672	 0.103495
+H	-2.7147150753	 0.8010499304	-1.819059812	 0.11454
+19
+0 102	4.5069697	0.8974677	0.7949903	3.293	78.97	-0.22522	0.01785	0.24307	1440.5725	0.156779	-422.530079	-422.521381	-422.520437	-422.564713	30.946
+C	-0.9813983591	-0.9308103571	 1.125199397	-0.350382
+C	-1.9211058997	-1.8569198641	 0.3768884397	 0.098302
+C	-1.9649940306	-3.3003654035	 0.6367350768	-0.181204
+O	-1.3135390388	-2.7839493148	-0.526523572	-0.228962
+C	-0.4560940537	 0.1772882122	 0.2621810368	 0.315863
+C	-0.6207581085	 1.4901777098	 0.4007496134	-0.219262
+C	 0.098585902	 2.2226163242	-0.6947398823	-0.09866
+O	 0.6902404434	 1.2058043595	-1.4982417307	-0.265668
+C	 0.3976929571	-0.0790750564	-0.9569227697	-0.148278
+H	-1.5083404632	-0.5115601951	 1.9902416641	 0.110123
+H	-0.1483144506	-1.5341646614	 1.5099902148	 0.112718
+H	-2.8192163745	-1.381139943	-0.020358603	 0.099275
+H	-1.3044499705	-3.7288774302	 1.3897333997	 0.115129
+H	-2.8804120502	-3.8597141015	 0.4503990531	 0.117664
+H	-1.176695397	 1.9908116608	 1.1843974798	 0.096175
+H	-0.5789400302	 2.837075585	-1.3096508518	 0.102404
+H	 0.8781633213	 2.8984357692	-0.3059467722	 0.101355
+H	-0.1149491789	-0.6973831675	-1.7077603952	 0.123062
+H	 1.3319782018	-0.6038652961	-0.6974458684	 0.100345
+19
+0 103	5.0081221	0.8584734	0.8250213	0.2488	76.23	-0.23972	0.09202	0.33174	1425.6677	0.156616	-422.459956	-422.451939	-422.450994	-422.493542	30.087
+C	 2.4998401634	-0.6866672785	-0.9101867201	-0.275236
+C	 2.2307628399	-2.0010418341	-1.6029247851	 0.099558
+C	 3.2363197462	-2.6792601735	-2.4282047891	-0.179561
+O	 2.1558666812	-1.9669355136	-3.0339424371	-0.240154
+C	 1.2828131296	 0.2255062281	-0.9237047924	 0.037508
+C	 0.1525773417	 0.0063420693	 0.1270743977	 0.04419
+C	-0.3074755463	 1.4678074715	-0.0763243267	-0.222462
+C	 1.2317585588	 1.427631671	 0.0606063343	 0.029075
+O	 1.0734869652	 0.4780193403	 1.1907441049	-0.314823
+H	 2.79552317	-0.8690861867	 0.1280417692	 0.122328
+H	 3.3351923627	-0.1880819609	-1.4163916457	 0.09928
+H	 1.4589385174	-2.6222275393	-1.143474216	 0.090699
+H	 4.2203279108	-2.2274298282	-2.5494870848	 0.112147
+H	 3.2073717462	-3.7619648163	-2.5436259622	 0.113402
+H	 0.9396811897	 0.4350300574	-1.9414450062	 0.087958
+H	-0.4422737008	-0.8830640332	 0.3387231798	 0.093809
+H	-0.7352480634	 1.7473903919	-1.0422058399	 0.099015
+H	-0.8323841178	 1.9056701762	 0.7727894829	 0.109537
+H	 1.9403568656	 2.2466143185	 0.1911221965	 0.09373
+19
+0 104	5.0653672	0.922357	0.882612	2.5745	76.71	-0.23473	0.08767	0.3224	1369.8725	0.156045	-422.450071	-422.442042	-422.441097	-422.48369	30.482
+C	 4.4691056475	-0.6865303813	-2.3773364169	-0.284452
+C	 3.4995903033	 0.1121573027	-3.2273303038	-0.289168
+C	 3.4814176389	 0.2196105022	-1.7223936692	 0.134622
+O	 2.4544122751	-0.401648964	-1.0070570486	-0.260006
+C	 1.2835630288	 0.3461816863	-0.9509719492	 0.182657
+C	 0.231812227	-0.1435429221	 0.0664774754	 0.006449
+C	-0.426262504	 1.257132064	 0.0216020695	-0.231194
+C	 1.1039179609	 1.4224664726	 0.1698400053	 0.00789
+O	 1.0942791845	 0.3342802699	 1.1722360435	-0.310309
+H	 4.2802650314	-1.7494929328	-2.281578726	 0.12862
+H	 5.5157971994	-0.4052181068	-2.3672000054	 0.115571
+H	 3.874099081	 0.9489125497	-3.8066625095	 0.113548
+H	 2.6880619505	-0.4372749509	-3.6913061228	 0.119732
+H	 3.8446395016	 1.1423866734	-1.2710872787	 0.088586
+H	 0.9255220184	 0.624317272	-1.9513843339	 0.070092
+H	-0.2219842759	-1.1291490252	 0.1676786238	 0.098579
+H	-0.9095682702	 1.5859207257	-0.9023750586	 0.096835
+H	-0.989959031	 1.5116477865	 0.9179396242	 0.117194
+H	 1.6880115828	 2.3144616579	 0.3964797708	 0.094755
+19
+0 105	5.0402272	0.8611265	0.7922603	3.1456	75.83	-0.22897	0.08028	0.30925	1451.0478	0.156524	-422.478833	-422.470552	-422.469608	-422.512563	30.616
+C	 1.1598478341	-1.2353196596	 2.1391026801	-0.277692
+C	 0.4162666814	-2.5159441785	 2.4442808861	 0.111746
+C	 1.1113940215	-3.7524622419	 2.81989569	-0.183142
+O	 0.5788678748	-3.5820081034	 1.5041839265	-0.232083
+C	 0.4586688877	-0.3951146659	 1.0883952521	-0.036483
+C	 1.3379423079	 0.4619641159	 0.1949304115	-0.156213
+C	 0.4622567083	 1.2082725838	-0.8040980768	-0.095683
+O	-0.2043937911	-0.0211258832	-1.2024661609	-0.289834
+C	 0.6566249597	-0.7765215548	-0.3471511633	 0.111362
+H	 1.2766139847	-0.655272323	 3.0643515614	 0.106961
+H	 2.1691852507	-1.4952812182	 1.7978941981	 0.103004
+H	-0.6124589161	-2.389625071	 2.7875750389	 0.094332
+H	 2.198913036	-3.7554381225	 2.8871193265	 0.111671
+H	 0.6080013021	-4.4959883698	 3.4361655987	 0.115565
+H	-0.5231859056	-0.0141166785	 1.368317157	 0.086763
+H	 2.3786652963	 0.6641591837	 0.4115649485	 0.096364
+H	-0.2384608318	 1.9558216752	-0.4124267167	 0.102897
+H	 1.0202045556	 1.6305386296	-1.6477700399	 0.10913
+H	 1.0160308138	-1.7384866079	-0.6917762577	 0.121336
+19
+0 106	5.6531271	0.8185496	0.7951618	0.8691	76.56	-0.22402	0.07646	0.30047999999999997	1483.8245	0.155912	-422.467665	-422.459352	-422.458408	-422.50142	31.076
+C	-1.8504169561	 2.2939879751	 2.4765866447	-0.285138
+C	-1.458747317	 1.4282551265	 3.6594833923	-0.290107
+C	-1.2013126374	 0.9503776131	 2.2698056679	 0.145029
+O	 0.1433970384	 0.9030594721	 1.8776213309	-0.263349
+C	 0.312998878	 0.9983972218	 0.4966180406	 0.076473
+C	 1.6143449597	 0.3918633411	 0.0338456717	-0.17089
+C	 1.7241753169	 0.5500030691	-1.4758880754	-0.090953
+O	 0.4043980404	-0.0368077318	-1.6742704374	-0.286232
+C	 0.2977708593	-0.2940468163	-0.2734329825	 0.060719
+H	-2.90079889	 2.4085335299	 2.233058701	 0.11557
+H	-1.238608219	 3.1686247317	 2.2861236674	 0.121702
+H	-0.5902387042	 1.737495077	 4.2294990999	 0.127267
+H	-2.2361223241	 0.9431265528	 4.2385304966	 0.115736
+H	-1.8104886265	 0.1417661788	 1.8687510535	 0.089826
+H	-0.0863068409	 1.9019158917	 0.0307105038	 0.092487
+H	 2.4005035246	 0.1341059091	 0.7295285359	 0.111618
+H	 1.7913721678	 1.5661446432	-1.8823385962	 0.107622
+H	 2.4956592984	-0.0827952745	-1.9291043096	 0.112656
+H	-0.1471402583	-1.2234227203	 0.0627921049	 0.109965
+19
+0 107	4.1304476	0.9611956	0.8555348	3.1576	75.17	-0.24828	0.08925	0.33753	1361.1465	0.156439	-422.488999	-422.480763	-422.479818	-422.522562	30.657
+C	 0.5103625947	-2.393109284	 0.1590591725	-0.252801
+C	-0.2381842644	-2.9080527598	 1.3655922176	 0.095417
+C	-1.5141310324	-3.6248552534	 1.2533439254	-0.181834
+O	-1.4785262057	-2.2590623854	 1.6728247901	-0.231946
+C	 1.2014740928	-1.0553459578	 0.4226688018	-0.00608
+C	 1.8292321296	-0.3863131344	-0.8557619541	-0.286328
+C	 0.8426158552	 0.7753788855	-0.6754089099	 0.036771
+O	 1.0697844989	 1.3253979051	 0.6266518425	-0.249546
+C	 0.2510959274	 0.155959441	 0.5227612791	 0.02969
+H	 1.2591312137	-3.1387087311	-0.1402696191	 0.106303
+H	-0.1925665638	-2.2907746626	-0.6773023139	 0.100447
+H	 0.375969308	-3.1080172793	 2.2460892329	 0.095071
+H	-1.943942567	-3.7997223032	 0.2676942413	 0.113689
+H	-1.8062475876	-4.3413751207	 2.0196151329	 0.116198
+H	 1.8814173492	-1.1346061157	 1.2773683019	 0.080558
+H	 2.8860137736	-0.1127943279	-0.8092243856	 0.108854
+H	 1.6427489447	-0.9752631959	-1.7584698115	 0.102342
+H	 0.4142374122	 1.4344284975	-1.4215722934	 0.100532
+H	-0.7483588791	 0.1972251621	 0.9364975194	 0.122662
+19
+0 108	5.7283118	0.8196045	0.8054316	2.6133	76.	-0.23627	0.07832	0.31459000000000004	1463.1737	0.156397	-422.484941	-422.476684	-422.47574	-422.51859	30.722
+C	-0.5940633123	-2.1195575539	 0.1291349289	-0.246251
+C	-1.438258873	-2.8734036977	-0.8698045738	 0.096034
+C	-1.8650174431	-4.2587404429	-0.6460181094	-0.180164
+O	-0.7962539628	-3.9621257253	-1.5458431508	-0.239737
+C	 0.3493003122	-1.1431018702	-0.5571786998	 0.134839
+O	-0.4039366209	-0.0873500405	-1.2384895039	-0.306979
+C	 0.1355523207	 0.886929449	-0.3430272528	 0.110433
+C	 1.6203865213	 0.9858615177	-0.4904709974	-0.306043
+C	 1.0191309524	-0.118337763	 0.3561825001	-0.137658
+H	-1.2426907312	-1.5649353091	 0.818480015	 0.105322
+H	-0.0049041573	-2.8331454904	 0.7184004148	 0.102664
+H	-2.0462449348	-2.2461837777	-1.5214436883	 0.111197
+H	-1.5748210596	-4.7669398637	 0.2733653887	 0.109395
+H	-2.7791053712	-4.6282981656	-1.1088417571	 0.114352
+H	 1.0029723053	-1.6734706341	-1.2605451441	 0.097708
+H	-0.5215039488	 1.6725987418	 0.011513351	 0.102909
+H	 2.0785898731	 0.7614847062	-1.4498986967	 0.118549
+H	 2.0968833993	 1.7803311299	 0.0759658938	 0.11521
+H	 1.2453802809	-0.2609891003	 1.4045152016	 0.09822
+19
+0 109	4.9961968	0.876882	0.8357866	1.2753	75.95	-0.24486	0.08496	0.32982	1417.8246	0.155904	-422.480656	-422.472352	-422.471408	-422.514455	31.093
+C	 0.9094273381	-1.2595917527	-4.4326841666	-0.283568
+C	 0.612593166	-2.6710853838	-3.9631276787	-0.288373
+C	 1.0568950546	-1.6380263022	-2.9811447132	 0.139314
+O	 0.0920550884	-1.2057636705	-2.0671199	-0.264348
+C	 0.3003332369	 0.1079481272	-1.6016741485	 0.113931
+C	-0.8305276215	 0.5085635246	-0.6018676247	-0.284886
+C	 0.2388379209	 0.6469794536	 0.4883582132	 0.034885
+O	 1.2056407103	 1.5973406625	 0.0152170865	-0.245474
+C	 1.3108692077	 0.2427330437	-0.4324147681	-0.01091
+H	 1.8033448295	-1.0778103629	-5.0188945368	 0.11488
+H	 0.0582610658	-0.6405234869	-4.6931181902	 0.122142
+H	-0.4298023235	-2.963694279	-3.9118509404	 0.127132
+H	 1.298918216	-3.4686824683	-4.2235234605	 0.115156
+H	 2.0655084156	-1.7120620423	-2.575256367	 0.086628
+H	 0.4889598355	 0.7988606805	-2.4320445269	 0.08202
+H	-1.4096581829	 1.4071878614	-0.8241848259	 0.109451
+H	-1.4936867463	-0.3450806007	-0.4452570697	 0.123095
+H	 0.1462429015	 0.5325453981	 1.5618792347	 0.104875
+H	 2.2448833975	-0.2798377322	-0.2599362272	 0.10405
+19
+0 110	4.9063508	0.836903	0.7821064	2.6571	77.65	-0.23665	0.01193	0.24858	1474.1381	0.156763	-422.530682	-422.522151	-422.521207	-422.564999	30.863
+C	 0.6082466862	 2.6356645386	-1.9645734631	-0.240067
+C	 1.6028232733	 3.72863652	-1.653512426	 0.102437
+C	 1.2239722733	 5.1477998835	-1.6372399967	-0.17674
+O	 1.957930043	 4.597209825	-2.7322983458	-0.241652
+C	-0.0055865258	 2.0307766619	-0.6932660746	 0.086387
+O	 1.0275624293	 1.4894358148	 0.1403352604	-0.280106
+C	 0.7712049415	 0.1173331164	 0.4305967798	-0.114836
+C	-0.4889037468	-0.2113383479	-0.3187234014	-0.096175
+C	-0.9325829659	 0.8712133023	-0.945272187	-0.091657
+H	-0.1884224031	 3.0435762435	-2.5979238585	 0.100232
+H	 1.1034569244	 1.8374320673	-2.5301098566	 0.109009
+H	 2.4430466547	 3.421395095	-1.0322005214	 0.108754
+H	 0.1961801164	 5.4331467729	-1.8615983282	 0.10722
+H	 1.771689574	 5.8511212579	-1.011452527	 0.114534
+H	-0.5182748153	 2.8352914015	-0.1379173946	 0.081766
+H	 1.6272193461	-0.4980710598	 0.1134909328	 0.108435
+H	 0.6588611189	-0.0225705611	 1.5178336597	 0.106355
+H	-0.9408993456	-1.195027267	-0.3151302761	 0.108887
+H	-1.8206483783	 0.9533238855	-1.5589465056	 0.107218
+19
+0 111	4.2540678	1.028103	0.9159529	1.062	77.61	-0.24427	0.0092	0.25347	1315.0852	0.156709	-422.531555	-422.523157	-422.522213	-422.565645	31.043
+C	-0.4078864379	 4.2499947848	 0.9121911918	-0.276116
+C	-1.2992641508	 4.885005327	-0.1361993696	-0.290763
+C	-0.0538627873	 4.168871766	-0.5481576167	 0.138751
+O	-0.2364608444	 2.9651086653	-1.2412602177	-0.258247
+C	 0.799525708	 2.0237766715	-1.0628758644	 0.185245
+O	 0.6981934428	 1.3234042528	 0.167628437	-0.260194
+C	 0.2771463593	-0.018172956	-0.0643720897	-0.121522
+C	 0.3403807353	-0.191562984	-1.5546944574	-0.088252
+C	 0.6657448074	 0.9626080462	-2.1222699941	-0.107766
+H	 0.1868619546	 4.8930360901	 1.551788259	 0.109111
+H	-0.750382485	 3.3332614457	 1.3742307624	 0.130321
+H	-2.2349039552	 4.3858259136	-0.3607167365	 0.124035
+H	-1.3274083629	 5.9654456542	-0.2211603928	 0.110709
+H	 0.790132853	 4.7583070619	-0.9073097833	 0.083388
+H	 1.7640605845	 2.5542510776	-1.0605194721	 0.07218
+H	 0.9541285603	-0.6959205623	 0.4736509528	 0.113602
+H	-0.7378185333	-0.1873643157	 0.3278852283	 0.1118
+H	 0.1303135967	-1.1300649268	-2.0515958501	 0.111054
+H	 0.7728153949	 1.1800769681	-3.1758920667	 0.112664
+19
+0 112	3.4412194	1.1868978	1.1594222	3.1275	76.49	-0.21083	0.05248	0.26331	1164.445	0.156162	-422.483711	-422.475307	-422.474362	-422.517364	30.962
+C	-1.5265224969	 1.8652715621	 0.1553900704	-0.450835
+C	-0.2357198069	 1.15323369	 0.4722917863	 0.387043
+C	 0.1560154519	-0.3142297509	 0.3370487484	-0.362138
+C	 1.499926722	 0.265638946	-0.1562482928	-0.065965
+O	 1.016631317	 1.6229893273	-0.0223449147	-0.299264
+C	-0.9770687345	 1.856866196	 1.5595362517	 0.387044
+C	-1.5641329469	 1.3184016954	 2.8597700173	-0.362138
+C	-0.969054492	 2.6090020967	 3.4646827583	-0.065965
+O	-0.4809064328	 3.0443378353	 2.1739082607	-0.299264
+H	-1.4245434608	 2.8037330047	-0.3824199896	 0.136661
+H	-2.4175712499	 1.2878851263	-0.0785128477	 0.111427
+H	 0.1974299626	-0.8828127283	 1.2689318504	 0.111572
+H	-0.4091784204	-0.8790511921	-0.4071522359	 0.115092
+H	 2.3631561242	 0.0780853946	 0.4923572114	 0.107288
+H	 1.769106255	 0.0329767125	-1.1923414778	 0.107745
+H	-2.6537107772	 1.2512801107	 2.8846144593	 0.115092
+H	-1.1349216794	 0.3817579647	 3.2229286374	 0.111572
+H	-1.6918211397	 3.317814975	 3.8833367995	 0.107745
+H	-0.1502628851	 2.4636247339	 4.1784586674	 0.107288
+19
+0 113	3.3531121	1.163427	1.147527	2.5597	76.04	-0.22816	0.0661	0.29426	1167.5762	0.156598	-422.484627	-422.476324	-422.475379	-422.518068	30.639
+C	-1.4778229081	 1.7642622704	 0.5219962518	-0.441142
+C	-1.1589924112	 2.1010472976	-0.9159290635	 0.201622
+C	-1.9339653699	 1.8547301139	-2.2046808323	-0.138935
+O	-1.4351212736	 3.0893837188	-2.7621609693	-0.276278
+C	-0.754462189	 3.434418532	-1.5317009137	-0.12888
+C	-0.2734691545	 1.1821524897	-0.1520932081	 0.410184
+C	 0.1267554843	-0.2644122361	-0.4213142508	-0.364562
+C	 1.5395038954	 0.229789103	-0.0402567888	-0.068286
+O	 1.0534325165	 1.5721489419	 0.2058893111	-0.306723
+H	-1.3064656613	 2.5376611189	 1.2655863579	 0.126879
+H	-2.3219707652	 1.1112471992	 0.728371822	 0.115699
+H	-1.6340637038	 0.9806654162	-2.799240394	 0.098424
+H	-3.0284340718	 1.8608651002	-2.1056241389	 0.099724
+H	 0.3224885472	 3.5814975713	-1.6755537149	 0.115298
+H	-1.1868539267	 4.3279752728	-1.0623712998	 0.100442
+H	-0.3079823292	-1.0038187843	 0.2537965766	 0.117771
+H	 0.0083081883	-0.6009142596	-1.4535624763	 0.117914
+H	 1.9713519771	-0.2131788519	 0.8635313	 0.110055
+H	 2.2829384856	 0.2104355159	-0.8445376794	 0.110796
+19
+0 114	3.4019177	1.1035073	1.0931577	1.8809	75.62	-0.24761	0.05117	0.29878	1196.0841	0.156558	-422.480389	-422.472061	-422.471117	-422.513928	30.488
+C	-1.2773855148	 2.0065168965	-1.1335876765	-0.424195
+C	-1.4724333236	 2.0762113818	 0.353424762	 0.224368
+C	-1.4732453271	 3.2905018892	 1.2782888671	-0.137066
+O	-2.5408312472	 2.7156317764	 2.0627256025	-0.273105
+C	-2.6237105561	 1.553948825	 1.2088055506	-0.137069
+C	-0.3102999877	 1.3287147936	-0.206529866	 0.224367
+C	 1.1804774724	 1.5835499838	-0.0003387877	-0.13707
+O	 1.4200943415	 0.1678333508	 0.1542076942	-0.273105
+C	 0.0299763486	-0.1529774565	-0.0698679286	-0.137065
+H	-1.9560876123	 1.3831821672	-1.7100971118	 0.118554
+H	-0.9479407795	 2.9049531742	-1.6491691197	 0.118554
+H	-0.5641386801	 3.447175165	 1.8744168671	 0.10438
+H	-1.7682668303	 4.2420562795	 0.8162707866	 0.103827
+H	-2.4346403034	 0.6237708002	 1.7614456534	 0.104381
+H	-3.5972029839	 1.4813947197	 0.7058120124	 0.103827
+H	 1.7172015036	 2.000127574	-0.8630927573	 0.103827
+H	 1.4563727227	 2.1474943769	 0.9009039512	 0.104381
+H	-0.1117925759	-0.7604929187	-0.9736270998	 0.103826
+H	-0.4141857272	-0.6758692887	 0.7878582803	 0.10438
+19
+0 115	3.4968167	1.1250846	1.0939543	2.0945	75.65	-0.25181	0.0648	0.31660999999999995	1201.635	0.156222	-422.49834	-422.49009	-422.489146	-422.531541	30.891
+C	 1.195489919	 1.6838303361	-0.2564275108	-0.209411
+C	-0.2967981293	 1.5181294634	 0.1674622233	-0.315234
+C	-0.0759708822	 0.0063018839	 0.1014213851	 0.373094
+C	 1.4432806127	 0.1784306817	 0.0698225389	-0.31523
+O	-0.7812794936	-0.966087779	 0.8734070723	-0.307113
+C	-0.897536026	-1.0143082233	-0.5370550227	 0.237861
+C	-2.2045277312	-0.9380915135	-1.3177917714	-0.153988
+O	-1.75148524	-2.0034930155	-2.1845776763	-0.275213
+C	-0.547858518	-2.2134781014	-1.4107289346	-0.153985
+H	 1.3021215401	 1.899961287	-1.3215835305	 0.111334
+H	 1.7842732991	 2.4073792305	 0.308865233	 0.108826
+H	-0.4793955176	 1.8486279256	 1.1940484515	 0.11936
+H	-1.0636032844	 1.9462221559	-0.4832603672	 0.107235
+H	 1.8805902436	 0.0316597962	 1.0616233056	 0.11936
+H	 2.0047270456	-0.4161055762	-0.6554344967	 0.107235
+H	-3.0925373085	-1.2182591453	-0.7367241641	 0.115003
+H	-2.4048979953	-0.0106078191	-1.8686605313	 0.107932
+H	-0.5524044726	-3.1737808813	-0.8792302594	 0.115003
+H	 0.3590279386	-2.1384078157	-2.0237154547	 0.107932
+19
+0 116	2.7373109	1.8307674	1.5097636	0.7735	73.89	-0.21839	0.08376	0.30215000000000003	952.335	0.158489	-422.506864	-422.499582	-422.498638	-422.538126	29.609
+C	 0.9152758277	 1.0404615453	-0.0010632542	-0.397967
+C	 0.9180151584	 0.5346680181	 1.4302653212	 0.3386
+C	 1.4773055529	 1.5814258825	 2.3999203551	-0.295096
+C	 0.34935943	 2.5701734669	 1.9075779392	-0.286765
+C	-0.1597434929	 1.4717032405	 0.9721240269	 0.352534
+O	-1.4958650375	 1.1047576454	 0.8768464478	-0.296689
+C	-1.6546821971	-0.3148796606	 0.9894913743	-0.098451
+C	-0.7320831478	-0.9444419313	 2.0382476518	-0.10625
+O	 0.6543425115	-0.8014146097	 1.7055293396	-0.292529
+H	 1.6676128866	 1.742566101	-0.3530048457	 0.103341
+H	 0.6157295105	 0.2905257296	-0.7241978588	 0.119237
+H	 1.3420773537	 1.3010805866	 3.4467590688	 0.110397
+H	 2.5166182724	 1.8860649528	 2.2437934883	 0.100409
+H	-0.366891511	 2.7985816293	 2.6991721132	 0.111508
+H	 0.6727408492	 3.5012924925	 1.433349723	 0.100506
+H	-2.6994259381	-0.4836259182	 1.2665142779	 0.115823
+H	-1.4768165992	-0.7955636075	 0.0155191608	 0.105438
+H	-0.936068692	-0.4967407484	 3.0228810519	 0.101353
+H	-0.9274661272	-2.018752325	 2.0980235688	 0.1146
+19
+0 117	2.8508737	1.7731714	1.4796509	1.806	73.84	-0.23679	0.08311	0.3199	956.3763	0.159258	-422.519755	-422.512591	-422.511647	-422.550937	29.079
+C	 0.0385265944	-1.6527567099	 1.3253171666	-0.369256
+C	 0.871999947	-2.3670135798	 0.2830640502	 0.214092
+C	 0.1306641882	-3.6276895314	-0.1970715302	-0.290756
+C	-1.078869764	-2.7359588262	-0.6609951295	-0.290147
+C	-0.3229636618	-1.5182821095	-0.1251013618	 0.393035
+O	-0.1791646753	-0.2927174653	-0.7637478201	-0.28699
+C	 1.111815895	-0.2026036404	-1.3526367394	-0.002133
+O	 2.1493823607	-0.4787793449	-0.4520334792	-0.237956
+C	 2.2344200912	-1.8748103349	-0.1201324108	-0.183046
+H	-0.5827274886	-2.2274422778	 2.0082899953	 0.102642
+H	 0.4862563476	-0.7590640111	 1.7446986372	 0.129477
+H	 0.6254244771	-4.1234883385	-1.0360539703	 0.104254
+H	-0.0802217436	-4.374584456	 0.5744017619	 0.101752
+H	-1.175067817	-2.7189099239	-1.7489212388	 0.110179
+H	-2.0611831215	-2.9370185286	-0.2223863081	 0.100129
+H	 1.1745554806	-0.8849897116	-2.2196393	 0.078049
+H	 1.2285800379	 0.8337132823	-1.6734322311	 0.119872
+H	 2.592427308	-2.4400822748	-0.9963715433	 0.092176
+H	 2.994361274	-1.9425617578	 0.6640261812	 0.114625
+19
+0 118	2.7505883	1.7799816	1.4810338	1.6332	73.65	-0.22772	0.07245	0.30017	961.3758	0.158736	-422.510415	-422.503186	-422.502242	-422.54162	29.431
+C	-0.8442337489	-1.152563013	-1.6036199232	-0.381277
+C	-1.6555864359	 0.0198782027	-1.1189426689	 0.376346
+C	-1.5064643611	 1.4624381971	-1.5055637525	-0.307667
+C	-0.0571901099	 1.9005488513	-1.1701819238	-0.222668
+C	 0.4002290887	 1.3787664705	 0.2004458799	-0.080859
+O	 0.4806499137	-0.0551158776	 0.2515363338	-0.296147
+C	-0.6916233277	-0.6405268227	-0.1847313174	 0.297625
+C	-1.9155842696	-1.0071066602	 0.6509283403	-0.154492
+O	-2.7959298475	-0.4500540466	-0.3737743147	-0.333882
+H	-1.3458330536	-2.0938653612	-1.8077248943	 0.112638
+H	 0.002164055	-0.9212877872	-2.2413379028	 0.121216
+H	-1.746530968	 1.6648670174	-2.5549323024	 0.106517
+H	-2.2106185481	 2.0367802064	-0.8927476307	 0.117659
+H	 0.6402400477	 1.5353789095	-1.9335812004	 0.112893
+H	 0.0108701516	 2.9934625772	-1.1753768242	 0.106864
+H	 1.4075556977	 1.7326106388	 0.4337986597	 0.112924
+H	-0.2795101236	 1.7451311301	 0.9860364457	 0.096512
+H	-2.1173218566	-2.0666511705	 0.8449462209	 0.106567
+H	-1.9914745037	-0.4357634621	 1.5836150149	 0.109229
+19
+0 119	2.8293649	1.7288552	1.4528856	0.7229	73.92	-0.22854	0.06808	0.29662	966.1609	0.159087	-422.512733	-422.505501	-422.504557	-422.544068	29.166
+C	 0.7968932336	-1.5591662286	 1.4101156334	-0.375972
+C	 0.6628002491	-0.8867633728	 0.0558540442	 0.151553
+C	 1.980532476	-0.1948175187	-0.2870832405	-0.145369
+O	 2.0161361961	 0.4914654689	 0.9976822613	-0.329146
+C	 0.7366352892	-0.0675387716	 1.3281428545	 0.435242
+C	-0.4028312851	 0.7912642018	 1.8051098573	-0.31918
+C	-1.4493073901	 0.862201958	 0.6702423004	-0.073487
+O	-1.6993692883	-0.4135328543	 0.0934518786	-0.251098
+C	-0.6241976437	-0.8815299137	-0.723958915	-0.176594
+H	-0.1071657002	-2.0421530399	 1.7669077495	 0.126794
+H	 1.7301152466	-2.0427901367	 1.6842124059	 0.112382
+H	 2.8655254089	-0.8225976115	-0.4445327469	 0.105216
+H	 1.8894908604	 0.5280189159	-1.1071838128	 0.1048
+H	-0.859767845	 0.376842973	 2.7091067506	 0.112254
+H	-0.0354562031	 1.7936281467	 2.0450923644	 0.120311
+H	-2.4125155633	 1.2159284233	 1.0475302336	 0.110669
+H	-1.1070735576	 1.5634036909	-0.1082388008	 0.091807
+H	-0.934608231	-1.8732017207	-1.067462381	 0.111168
+H	-0.5157402626	-0.2307149402	-1.6086321066	 0.08865
+19
+0 120	2.8222237	1.7283389	1.4528433	1.7368	73.89	-0.23195	0.06445	0.2964	967.1849	0.159008	-422.511365	-422.504113	-422.503169	-422.542717	29.214
+C	 1.4342057398	-0.1067428713	 2.9454256938	-0.376642
+C	 1.0841616755	-1.1500367688	 1.8974961194	 0.197949
+C	 2.1942969965	-1.190494256	 0.8472878742	-0.145502
+O	 2.1350627948	 0.2536309651	 0.6595352738	-0.328428
+C	 1.0326965982	 0.3265010063	 1.5737878399	 0.390033
+C	-0.2706474276	 0.9761623786	 1.2032008338	-0.176406
+O	-1.3431936243	 0.1948955123	 1.7275008477	-0.250464
+C	-1.3204125884	-1.1580152858	 1.2862144221	-0.06741
+C	-0.1848419213	-1.9691975799	 1.9478230898	-0.322589
+H	 0.6825984885	 0.0185172916	 3.7182662268	 0.126315
+H	 2.4638676183	 0.0319523515	 3.2626293893	 0.112405
+H	 3.1895148333	-1.5281996539	 1.1617386042	 0.105052
+H	 1.9045550186	-1.7102547697	-0.0745164354	 0.104669
+H	-0.4020745178	 1.9796518733	 1.6189464477	 0.113075
+H	-0.3308982895	 1.0395837797	 0.1048882813	 0.102478
+H	-2.2998129197	-1.572260596	 1.5415578417	 0.110062
+H	-1.2126230357	-1.1876614016	 0.1895136811	 0.091053
+H	-0.456715857	-2.2069558984	 2.9814917066	 0.111733
+H	-0.0624835022	-2.9234186672	 1.4226025322	 0.102617
+19
+0 121	2.9582453	1.697484	1.3763515	2.5847	74.34	-0.24384	0.07757	0.32141	991.4723	0.158716	-422.522618	-422.5153	-422.514356	-422.553986	29.425
+C	-0.926459988	-0.3179170851	-1.7664183476	-0.296371
+C	-0.5877042469	-1.7432858038	-1.1873938549	-0.300732
+C	-0.1948323487	-1.0567665506	 0.1317919791	 0.31527
+C	 0.927439713	-1.2434301404	 1.109305934	-0.185616
+O	 1.2970108997	 0.0071524508	 1.6773732254	-0.242047
+C	 1.5487982803	 1.0254469603	 0.720359276	-0.068039
+C	 0.2669435338	 1.5013562081	 0.0008664935	-0.325723
+C	-0.5039204685	 0.2762297126	-0.4109608618	 0.344223
+O	-1.3401764674	-0.3285277942	 0.5865909093	-0.308676
+H	-0.2633838473	-0.0361050485	-2.5884491688	 0.105131
+H	-1.9635051522	-0.131313923	-2.055418562	 0.110874
+H	-1.4107777818	-2.4573740027	-1.1127876375	 0.111553
+H	 0.2553538324	-2.2110332334	-1.7019368714	 0.106254
+H	 0.6561093346	-1.8866511498	 1.9523618707	 0.119438
+H	 1.7840481179	-1.7032427009	 0.5865697699	 0.090766
+H	 2.0149107394	 1.8448152656	 1.2743312508	 0.111439
+H	 2.2741748095	 0.6652905894	-0.0288221733	 0.084248
+H	-0.3391132247	 2.120462864	 0.669223405	 0.124752
+H	 0.5368480049	 2.1119432116	-0.8674265764	 0.103256
+19
+0 122	2.957398	1.7351953	1.5177629	1.5597	73.08	-0.23692	0.08011	0.31703	950.4774	0.159293	-422.546229	-422.539115	-422.538171	-422.577347	28.914
+C	-0.2465741328	 2.1274779285	-1.5231854384	-0.225845
+C	 0.3146755849	 2.4122218994	-0.0990286227	-0.294389
+C	 0.7253613917	 1.0398011727	 0.3912054758	 0.366922
+O	 1.866874776	 0.8291152591	 1.1904042297	-0.305922
+C	 2.7983206064	 0.1946721402	 0.3203125205	-0.008999
+O	 2.0519775998	-0.5904471162	-0.6036624716	-0.305922
+C	 0.8455713648	 0.1179043067	-0.773902299	 0.366922
+C	 0.5153294983	 0.8733900502	-2.0438286556	-0.294389
+C	-0.2148563014	-0.1439052864	 0.2773288783	-0.39215
+H	-1.3185126654	 1.9130259873	-1.4640961491	 0.11157
+H	-0.1359341658	 2.9855667542	-2.1907368911	 0.107009
+H	 1.2122208934	 3.0392305178	-0.1511341371	 0.109608
+H	-0.4107204705	 2.9273354175	 0.53796419	 0.104558
+H	 3.3937831101	 0.9523184529	-0.2177414373	 0.088283
+H	 3.4511505778	-0.458936305	 0.904838513	 0.121183
+H	 1.4571788773	 1.1606258211	-2.525344694	 0.109608
+H	-0.0689366495	 0.306165184	-2.7747118738	 0.104558
+H	-1.2604356021	 0.0233578321	 0.0371033203	 0.112263
+H	-0.0148157132	-0.9683171845	 0.9502880841	 0.125132
+19
+0 123	3.0943142	1.7059791	1.4523575	0.1706	73.24	-0.22114	0.08337	0.30451	964.0125	0.159176	-422.539804	-422.532605	-422.531661	-422.571038	29.094
+C	 1.7686012243	 0.1710481731	-0.3596069909	-0.427008
+C	 0.97808135	 0.7075145404	 0.8252253243	 0.38707
+C	 0.7013712172	-0.1915011708	 2.0068304018	-0.321367
+C	 0.1457527177	-1.4689914418	 1.3156163542	-0.102854
+O	-0.3852896423	-1.0755071626	 0.0388314162	-0.314007
+C	 0.2478125082	 0.1186338336	-0.3256635915	 0.387014
+C	-0.5519619281	 1.2432410983	-0.9393936311	-0.321274
+C	 0.1201898812	 2.4962746951	-0.3097832998	-0.102904
+O	 0.7406858906	 2.0839382665	 0.9197778082	-0.313977
+H	 2.2459817627	 0.8861553672	-1.0206739165	 0.11773
+H	 2.3137501254	-0.758590166	-0.237597366	 0.117723
+H	 1.5641754129	-0.4193150409	 2.6386508126	 0.108954
+H	-0.0608865112	 0.2926391722	 2.6249719037	 0.119256
+H	 0.9449605496	-2.2086596965	 1.1708423462	 0.103706
+H	-0.6572772918	-1.9502185008	 1.8803074824	 0.115043
+H	-0.542126753	 1.2879153887	-2.031833015	 0.108939
+H	-1.5893050009	 1.1365122068	-0.6075894213	 0.119226
+H	 0.8807186506	 2.9081331636	-0.987137899	 0.10369
+H	-0.5889721632	 3.2952876637	-0.0774967486	 0.11504
+19
+0 124	3.1690935	1.6636576	1.4241938	1.9759	73.47	-0.23241	0.0819	0.31431	968.4681	0.15968	-422.544251	-422.537148	-422.536204	-422.575362	28.718
+C	 1.5126018317	-0.2988443597	 0.4705858297	-0.401491
+C	 0.7334588272	 0.0256274501	-0.7969491152	 0.226253
+C	 1.4651839283	 0.7380570745	-1.9181128016	-0.328587
+C	 2.1727275195	 1.9105971563	-1.1797764394	-0.098746
+O	 1.4201614379	 2.1738315457	 0.0122963181	-0.304758
+C	 0.7549626826	 0.9959364939	 0.3527974826	 0.391791
+C	-0.6534345581	 1.0569820955	 0.8958652801	-0.154401
+O	-1.2701013944	-0.1397271065	 0.412881686	-0.262398
+C	-0.6925304655	-0.478950963	-0.8560670477	-0.157333
+H	 1.1027249099	-1.0625649117	 1.1234512956	 0.126764
+H	 2.5954308708	-0.2673155751	 0.4275849652	 0.115772
+H	 2.1866049166	 0.1225526651	-2.4637530157	 0.108939
+H	 0.735307523	 1.1174558369	-2.6418415649	 0.109298
+H	 3.2027458599	 1.6348670333	-0.9162861519	 0.104845
+H	 2.2121422533	 2.8342040258	-1.7636940533	 0.114915
+H	-0.7430295042	 1.0419262031	 1.9859244512	 0.110952
+H	-1.142796989	 1.9648421627	 0.5095344366	 0.099326
+H	-0.8074255663	-1.5616558045	-0.969095028	 0.108823
+H	-1.2281686732	 0.0157586776	-1.6831563974	 0.090033
+19
+0 125	3.2428944	1.6150775	1.3921078	0.1509	73.67	-0.25244	0.0889	0.34134	974.5915	0.160087	-422.548793	-422.541743	-422.540799	-422.579863	28.385
+C	 1.4833499784	-0.3810317292	 0.4512347908	-0.370229
+C	 0.7338005266	 0.04675773	-0.7844752825	 0.236506
+C	 1.5344972898	 0.7359412708	-1.8683079623	-0.161333
+O	 2.3501068479	 1.6950200168	-1.1878875258	-0.25774
+C	 1.6513532084	 2.1443894378	-0.0226266406	-0.161333
+C	 0.8101694124	 0.9672121367	 0.4217225454	 0.236507
+C	-0.6016905607	 1.0409982476	 0.9620553362	-0.161328
+O	-1.2839493161	-0.0845606034	 0.4002038585	-0.257754
+C	-0.7185495759	-0.3674799941	-0.8836643443	-0.161328
+H	 1.0313244391	-1.1509847425	 1.0674078832	 0.124524
+H	 2.5666282716	-0.3991303142	 0.3964594251	 0.124528
+H	 2.2152142807	 0.0873404136	-2.4287154867	 0.111774
+H	 0.8529346968	 1.2247170107	-2.5846187299	 0.090472
+H	 2.4128717968	 2.4696813516	 0.6931876321	 0.111774
+H	 1.0006391654	 3.0049912831	-0.2516818939	 0.090472
+H	-0.6899670397	 0.9499606242	 2.0492721921	 0.111772
+H	-1.0718624727	 1.9900649026	 0.6542611773	 0.090473
+H	-0.8876191449	-1.4323100306	-1.0725383065	 0.111772
+H	-1.2195885941	 0.2095667387	-1.6789650081	 0.090473
+19
+0 126	3.3043738	1.630118	1.3455226	2.6198	73.67	-0.24982	0.08445	0.33426999999999996	994.7603	0.159374	-422.558332	-422.551112	-422.550168	-422.589592	28.899
+C	-1.255913585	 0.7828996293	-1.6070154262	-0.207879
+C	 0.1859598478	 0.6679220747	-2.1820432232	-0.316908
+C	 1.0132571357	 0.3392323897	-0.960926596	 0.33701
+C	 2.320772124	-0.4011173319	-0.8305669019	-0.160758
+O	 2.2778042297	-1.0169003139	 0.4595843955	-0.262324
+C	 0.9228131049	-1.1685533457	 0.8914703415	-0.160758
+C	 0.1407121523	-0.1397678236	 0.1138939927	 0.33701
+C	-1.2948980505	-0.1450227877	-0.3578893461	-0.316908
+O	 0.7317127822	 1.1701417616	 0.179127112	-0.328346
+H	-1.4368597258	 1.813217491	-1.2947412866	 0.125225
+H	-2.0204487607	 0.5233714695	-2.3433294353	 0.100811
+H	 0.2661865142	-0.1574840584	-2.9001003527	 0.105521
+H	 0.5008874673	 1.5814253329	-2.6951542129	 0.112232
+H	 2.4049968693	-1.149800808	-1.6353920576	 0.09234
+H	 3.2083929924	 0.2388313127	-0.8561425439	 0.116819
+H	 0.5354659089	-2.176115043	 0.6675376301	 0.09234
+H	 0.9090158861	-1.023455434	 1.9762815944	 0.116819
+H	-1.5776855187	-1.1697122007	-0.6287777331	 0.105521
+H	-2.0077112598	 0.2042828878	 0.3949940038	 0.112232
+19
+0 127	2.914969	1.8611027	1.6442261	1.8947	72.61	-0.2499	0.08998	0.33988	900.7488	0.161415	-422.554052	-422.547629	-422.546684	-422.584349	27.407
+C	 1.3820518431	-0.3939829001	 0.4941783593	-0.330918
+C	 0.7190048834	 0.0691050854	-0.7775397465	-0.04518
+C	 0.7737586533	 0.9838055848	 0.4391616483	-0.04518
+C	-0.6790371011	 1.1689960043	 0.869597777	 0.104587
+C	-1.3713727867	-0.1295366544	 0.4192805366	-0.256671
+C	-0.7627513161	-0.2295098433	-0.9906435237	 0.104587
+O	-1.3678354507	 0.8120886374	-1.7768828026	-0.277408
+C	-1.1054014178	 2.1065649185	-1.2737612483	 0.02877
+O	-1.2823750363	 2.2397680772	 0.1221657597	-0.277408
+H	 0.9409490223	-1.1754932543	 1.101557662	 0.115916
+H	 2.4662074097	-0.4276674623	 0.4707125649	 0.117072
+H	 1.329194553	 0.2509365464	-1.6547433456	 0.095032
+H	 1.4248983436	 1.8497298504	 0.4719130697	 0.095032
+H	-0.8177761744	 1.4283197048	 1.9212595992	 0.077932
+H	-1.135382291	-0.9866636699	 1.0530373297	 0.100555
+H	-2.4538104279	-0.0074923317	 0.376240994	 0.11388
+H	-0.9727259445	-1.1601958378	-1.521891172	 0.077932
+H	-0.0892218777	 2.4200651428	-1.555175569	 0.086255
+H	-1.8340051142	 2.7729499618	-1.7419519225	 0.115216
+19
+0 128	3.0179769	1.8155163	1.6099102	0.771	73.37	-0.23499	0.09148	0.32647000000000004	912.832	0.160646	-422.553932	-422.547337	-422.546393	-422.584443	27.629
+C	-0.0347462492	 1.9678346541	-0.9969592993	-0.326622
+C	 0.4220919115	 1.3660768188	 0.3069300232	-0.023997
+C	 0.4186554231	 0.5313356542	-0.9540191837	-0.023997
+C	-0.6671395868	-0.5088595817	-0.7034214347	 0.04798
+C	-0.1048258363	-1.7340478004	 0.028057866	-0.080734
+O	 0.6113057739	-1.3441740259	 1.193789034	-0.255767
+C	-0.0994074848	-0.4215347234	 2.0107345921	-0.080734
+C	-0.6620260216	 0.7318038553	 1.1707255336	 0.047981
+O	-1.5609363576	 0.1481892576	 0.2117892808	-0.27996
+H	-1.0903946235	 2.1765784994	-1.1322693147	 0.124092
+H	 0.6381906553	 2.6759731304	-1.4675836219	 0.109877
+H	 1.3442791237	 1.6918915364	 0.7721803769	 0.090876
+H	 1.3382578572	 0.2280048561	-1.4391614516	 0.090877
+H	-1.2504860973	-0.8009182133	-1.5822907043	 0.080392
+H	-0.9438936019	-2.3983289766	 0.2884210262	 0.094931
+H	 0.6040524045	-2.29149121	-0.5930755119	 0.104742
+H	-0.9377756269	-0.9185768465	 2.5237461625	 0.094931
+H	 0.6132284678	-0.0692564251	 2.7638009005	 0.104742
+H	-1.2413035509	 1.4282298705	 1.7850785063	 0.080392
+19
+0 129	2.9697328	1.8520446	1.6156331	2.2242	72.72	-0.24831	0.08755	0.33586	909.7093	0.161066	-422.564067	-422.557552	-422.556608	-422.594487	27.532
+C	-0.3335245576	 1.9101159983	-1.268523647	-0.316823
+C	 0.3043322539	 1.5132871525	 0.0351997639	-0.043943
+C	 0.2874200982	 0.5436103007	-1.1286868093	-0.081801
+C	-0.6423052641	-0.5694699645	-0.658296598	 0.191237
+O	-1.5111416042	 0.0754437106	 0.2586437756	-0.262251
+C	-0.6164056141	 0.8644689853	 1.0648249669	 0.060274
+C	 0.1401184017	-0.1264652709	 1.9624176689	-0.222389
+C	 0.8656986581	-1.1601366558	 1.0771109153	-0.07365
+O	 0.0674330756	-1.6097612983	-0.0213380342	-0.263875
+H	-1.4140137957	 1.9865397762	-1.3197405491	 0.12658
+H	 0.207916135	 2.6267988526	-1.8761620586	 0.111713
+H	 1.2174787471	 1.9920312198	 0.3683239231	 0.090048
+H	 1.178413657	 0.2770609329	-1.6832203534	 0.097642
+H	-1.2537951707	-1.0455034174	-1.4272690244	 0.091038
+H	-1.2260316274	 1.567715835	 1.6385895246	 0.080252
+H	 0.8666210939	 0.3799336795	 2.6082465229	 0.095623
+H	-0.5930747138	-0.625037971	 2.6037535983	 0.113531
+H	 1.8083566091	-0.736078409	 0.7048760691	 0.09643
+H	 1.1126514378	-2.0582206366	 1.6494947854	 0.110362
+19
+0 130	2.8360356	1.8487155	1.6060997	1.7366	72.18	-0.23987	0.08301	0.32288	910.2584	0.160944	-422.553913	-422.547363	-422.546419	-422.584376	27.554
+C	 0.9696094508	-0.143666368	-2.3298366158	-0.234351
+C	 2.0191212804	 0.7800679419	-1.6723825769	-0.064326
+C	 3.3030019215	-0.061152456	-1.4936453207	-0.230229
+C	 3.0182190165	-1.3287169503	-0.657788732	-0.063887
+O	 1.7835472252	-1.9805443063	-0.9639971114	-0.276927
+C	 0.6763888212	-1.0972992305	-1.1586105082	 0.081692
+C	 0.5663071371	-0.1382617597	 0.0283757096	 0.020456
+O	-0.0292508836	 1.1275490506	-0.2858075741	-0.265781
+C	 1.3998656925	 1.0277512797	-0.2966590386	 0.061106
+H	 0.0746021206	 0.4052811048	-2.6230442017	 0.116771
+H	 1.3628400187	-0.6872529449	-3.1913092449	 0.098354
+H	 2.2165240815	 1.6956700371	-2.236393919	 0.070573
+H	 3.6794508145	-0.3351509442	-2.4852425042	 0.10717
+H	 4.0965875261	 0.508740839	-0.9952218863	 0.097804
+H	 3.7928703851	-2.0816607127	-0.8293067104	 0.109107
+H	 3.0478093922	-1.0729124734	 0.4105434483	 0.095774
+H	-0.1931207496	-1.7412804181	-1.3063098145	 0.080837
+H	 0.4106828904	-0.5079359197	 1.0376400803	 0.100846
+H	 1.9175583789	 1.6126460307	 0.4594239404	 0.095011
+19
+0 131	2.8851853	1.8226424	1.6094901	1.2448	72.52	-0.24812	0.0861	0.33422	910.0964	0.160838	-422.553817	-422.547262	-422.546318	-422.584314	27.424
+C	 2.0028912768	-1.4659965409	 0.0996167121	-0.233376
+C	 0.8350078667	-1.2726304776	-0.8921113769	-0.082243
+C	 1.4299837262	-1.2993607904	-2.3151391648	-0.078838
+O	 2.3829863014	-0.2630552706	-2.5175914273	-0.253415
+C	 3.3623257183	-0.1260362673	-1.4952153638	-0.078838
+C	 2.7349776196	-0.1189653	-0.0859241319	-0.082243
+C	 1.5738520882	 0.8735048778	-0.0875742512	 0.072776
+O	 0.4915913921	 0.5386635945	 0.7926585254	-0.275642
+C	 0.3960157545	 0.15831866	-0.5873525692	 0.072776
+H	 1.6430358615	-1.5870088538	 1.1208662688	 0.118252
+H	 2.6324865604	-2.3220875639	-0.1590954713	 0.089485
+H	 0.0430085557	-2.021496585	-0.7982613666	 0.071676
+H	 1.8818940227	-2.2885161049	-2.497603105	 0.09048
+H	 0.6620415519	-1.1368212718	-3.0788307134	 0.108038
+H	 4.1062535357	-0.9378775379	-1.553772392	 0.090481
+H	 3.8770962956	 0.8153701227	-1.7146330854	 0.108038
+H	 3.5015239897	 0.0785218012	 0.6692424081	 0.071676
+H	 1.7390698784	 1.9342321264	-0.2545304407	 0.095458
+H	-0.3923836056	 0.6400111216	-1.158939475	 0.095459
+19
+0 132	2.8854334	1.8267157	1.5810664	2.8241	72.39	-0.24704	0.07921	0.32625000000000004	921.125	0.160521	-422.559173	-422.552555	-422.55161	-422.589728	27.686
+C	 0.7989887026	-2.4100497412	-1.1952960213	-0.211472
+C	-0.5150132079	-1.7053944538	-1.6101672332	-0.208874
+C	-0.3816492607	-0.1799086747	-1.4633283204	 0.042025
+O	 0.7208571967	 0.2508366738	-2.268009228	-0.258255
+C	 1.8847390101	-0.141509177	-1.5331511772	 0.042025
+C	 2.0603660421	-1.6617599574	-1.6895101597	-0.208874
+C	 1.5208555968	 0.2158485435	-0.0938448481	 0.034323
+O	 0.7714698173	 1.4270431026	 0.0216984349	-0.25175
+C	 0.0578162918	 0.1910599809	-0.0487718526	 0.034324
+H	 0.8339769522	-2.4893059096	-0.1031966008	 0.102897
+H	 0.804771399	-3.4375092482	-1.5726442624	 0.099563
+H	-0.7415945718	-1.910994415	-2.6618442006	 0.11024
+H	-1.3551859838	-2.0877209318	-1.0181504211	 0.094856
+H	-1.2701067922	 0.3532855429	-1.8121646791	 0.086643
+H	 2.7314899732	 0.4210848646	-1.9354452708	 0.086642
+H	 2.2286238006	-1.8606688187	-2.7533519873	 0.11024
+H	 2.9478369225	-2.0148156664	-1.1507202922	 0.094856
+H	 2.1621518421	-0.0481668169	 0.7421930812	 0.100296
+H	-0.5215114212	-0.0936363975	 0.8248710084	 0.100296
+19
+0 133	2.5709058	1.9451189	1.9022464	1.1184	72.74	-0.24291	0.08193	0.32484	874.2365	0.160936	-422.545228	-422.538663	-422.537719	-422.575668	27.61
+C	 1.1314494672	 0.5286607732	 3.2787930148	-0.320736
+C	 0.9356062467	-0.782019116	 2.5728510701	-0.014897
+C	 0.8719627089	 0.5121885034	 1.788227966	-0.044146
+C	-0.5294466072	 0.650602014	 1.2065894761	 0.07148
+C	-1.599580872	 0.6289535853	 2.2951102946	-0.09679
+O	-1.4318512862	-0.5469042281	 3.1011506127	-0.278321
+C	-0.4491496434	-1.4249232145	 2.5516036198	 0.048299
+C	-0.8058475757	-1.6992708497	 1.0810678337	-0.069312
+O	-0.767129831	-0.4735249629	 0.3396650442	-0.283045
+H	 0.365277854	 0.8668721186	 3.9646904691	 0.131302
+H	 2.1437637575	 0.7740742179	 3.5803489217	 0.110829
+H	 1.7786385952	-1.4540125577	 2.4476115874	 0.087342
+H	 1.6867480734	 0.7767435824	 1.123398991	 0.090349
+H	-0.6405034365	 1.5356821997	 0.5759635145	 0.079412
+H	-1.5369012454	 1.5118487031	 2.9428357997	 0.102957
+H	-2.5918059358	 0.6131324538	 1.8257756173	 0.10537
+H	-0.4980958833	-2.342488014	 3.1431437909	 0.081607
+H	-0.0959338125	-2.4089436468	 0.6354187632	 0.097191
+H	-1.8138751538	-2.1299634916	 1.0160226633	 0.101108
+19
+0 134	2.571738	1.9397883	1.9248291	2.2137	72.45	-0.24657	0.08123	0.3278	872.3846	0.161239	-422.55299	-422.546485	-422.545541	-422.5834	27.396
+C	 0.7306797776	 0.371601577	 3.419315816	-0.322222
+C	 0.8214293394	-0.9047099662	 2.6166558107	-0.031648
+C	 1.012698714	 0.437702205	 1.9433130808	-0.048834
+C	-0.1432705364	 0.6459549331	 0.9704897925	 0.194373
+O	-0.0679212564	-0.3396810996	-0.0483887613	-0.273078
+C	-0.1326894246	-1.6693387889	 0.4911335452	-0.056265
+C	-0.4008465479	-1.5901930552	 2.0072984984	-0.092205
+C	-1.6487364006	-0.7179990866	 2.1715041005	-0.081187
+O	-1.3926596713	 0.587168492	 1.6307330428	-0.27056
+H	-0.2257188065	 0.7319884606	 3.7763434448	 0.13089
+H	 1.5634772466	 0.5739201859	 4.0839048034	 0.110357
+H	 1.6866813605	-1.5393780172	 2.7795845729	 0.087626
+H	 1.989569887	 0.7476107882	 1.5887728653	 0.09156
+H	-0.1148252503	 1.6091339846	 0.4585330495	 0.08881
+H	-0.9425296851	-2.2012730797	-0.0246752382	 0.100157
+H	 0.8097302855	-2.1941056896	 0.2831863106	 0.094219
+H	-0.5786227989	-2.5863687279	 2.4226239788	 0.073772
+H	-2.4971716693	-1.1649269698	 1.6354879055	 0.100976
+H	-1.9331711232	-0.6097226555	 3.2247307518	 0.103258
+19
+0 135	2.4735182	1.9407354	1.9242775	0.9828	72.02	-0.24319	0.08362	0.32681	876.3334	0.160915	-422.553161	-422.546525	-422.54558	-422.58374	27.578
+C	 3.0235239111	 0.5119717	-1.0983843706	-0.204048
+C	 2.1147581769	-0.5029987564	-1.8518735723	-0.209371
+C	 1.1519662836	-1.1378902417	-0.8426858143	 0.065555
+O	 1.9005248168	-1.8145489017	 0.1831807131	-0.282276
+C	 2.7640232967	-0.9384063503	 0.915616134	-0.06023
+C	 2.6440158327	 0.5089291052	 0.3948008807	-0.092106
+C	 1.1710555226	 0.8810689356	 0.5565390117	 0.049796
+O	 0.4602343882	 1.284179126	-0.6183848572	-0.251366
+C	 0.3058296474	-0.0656940843	-0.1567652168	 0.031539
+H	 4.0786330878	 0.2366917332	-1.19361736	 0.093691
+H	 2.9057586679	 1.5157785819	-1.5104747704	 0.113534
+H	 1.5493906048	-0.0090244158	-2.6455835613	 0.112983
+H	 2.7049708286	-1.3036729553	-2.3060220621	 0.100106
+H	 0.5390144473	-1.9174622849	-1.3001079579	 0.075736
+H	 2.498905597	-0.99666094	 1.980622992	 0.095149
+H	 3.7982465469	-1.2936314964	 0.8090672357	 0.097178
+H	 3.2984118775	 1.1674316379	 0.9728213882	 0.069358
+H	 0.8469385383	 1.3605210586	 1.4774505469	 0.096487
+H	-0.6873194621	-0.3220753618	 0.2023131906	 0.098285
+19
+0 136	3.4115695	1.5475242	1.2286397	0.2982	75.08	-0.23128	0.07957	0.31085	1038.6086	0.15903	-422.511202	-422.503936	-422.502992	-422.54288	28.786
+C	 0.1196851688	 0.6795594582	 0.8240543339	-0.297081
+C	-0.3469446016	 1.6040298966	-0.2617666525	-0.049579
+C	-0.8915889549	 0.1798988118	-0.1720906843	-0.098319
+C	-0.1116626644	-0.2149689768	-1.4455901748	 0.112618
+O	-0.7986814769	-0.8165675455	-2.5135036167	-0.272986
+C	-1.5665229891	 0.0603113499	-3.3250622296	-0.084878
+C	-0.7174449507	 1.2405870787	-3.7528646459	-0.075145
+O	-0.3658326685	 2.0082401514	-2.6151132526	-0.271958
+C	 0.3241413338	 1.2941309473	-1.6022247884	 0.070771
+H	 1.1323209359	 0.2790421683	 0.8203873281	 0.105804
+H	-0.2612860042	 0.9035266785	 1.8150828923	 0.116883
+H	-0.8344938604	 2.5496720172	-0.0593826299	 0.094292
+H	-1.8724900505	-0.1818537939	 0.1104498619	 0.090456
+H	 0.7241127032	-0.8906637015	-1.2330132577	 0.084166
+H	-1.8940682115	-0.5325624833	-4.1843278312	 0.107352
+H	-2.4548969606	 0.4261481177	-2.7877281529	 0.099482
+H	 0.1763958176	 0.8792428228	-4.286663018	 0.09447
+H	-1.2727912281	 1.9115184414	-4.4153663496	 0.108712
+H	 1.4044837021	 1.4831309111	-1.692451652	 0.064937
+19
+0 137	3.5072191	1.493033	1.2015332	1.9417	73.9	-0.25043	0.08232	0.33275	1047.1573	0.159852	-422.517518	-422.510378	-422.509434	-422.549137	28.323
+C	 2.2512811743	 1.1926253424	 0.0655661027	-0.296111
+C	 2.7165095395	-0.2127411025	 0.3051733363	-0.044407
+C	 1.3086880444	 0.0563009968	-0.2271228758	-0.091206
+C	 1.7034435864	-0.5231030963	-1.6023152462	 0.135518
+O	 0.9125480335	-1.5428584445	-2.1668732681	-0.25841
+C	 1.144374452	-2.8370580285	-1.6690766698	 0.006515
+O	 2.4900459347	-3.1991791361	-1.7452210881	-0.221309
+C	 3.2459953142	-2.4478803072	-0.8064452412	-0.102673
+C	 3.1027961118	-0.9251206544	-1.0031142384	-0.082214
+H	 2.031191739	 1.768646756	 0.9585895135	 0.115485
+H	 2.6635306118	 1.7818436101	-0.7520183574	 0.106876
+H	 3.0229522556	-0.5502005223	 1.2893934666	 0.085966
+H	 0.342978397	-0.046307464	 0.25230062	 0.091045
+H	 1.7613484386	 0.2452779384	-2.3799572759	 0.086372
+H	 0.7896265681	-2.9235355453	-0.6242896156	 0.076097
+H	 0.5802991205	-3.5151799974	-2.312626588	 0.116298
+H	 2.9254639514	-2.7252083468	 0.2112461023	 0.090829
+H	 4.2854248789	-2.7616635421	-0.9259355687	 0.113712
+H	 3.9675299584	-0.523918746	-1.5414080082	 0.071617
+19
+0 138	3.412196	1.4480336	1.1661331	1.3662	73.86	-0.24801	0.07704	0.32505	1065.4486	0.15931	-422.515562	-422.508342	-422.507398	-422.547269	28.549
+C	 1.6105191244	 0.2713058509	-3.6271686425	-0.074295
+C	 2.3357619765	 0.8131963108	-2.3969318917	-0.222977
+C	 2.0228595654	 0.0147135773	-1.1123455443	-0.078319
+C	 1.4721372635	 0.9433625951	-0.0112320297	 0.042465
+O	 0.94334153	 0.1626747628	 1.0584633668	-0.254051
+C	 0.1327064499	 0.3510216163	-0.1120704961	 0.008695
+C	 0.6143847096	-0.7130177776	-1.1190415769	-0.03123
+C	-0.0733267357	-0.8540356586	-2.4738676048	-0.120197
+O	 0.2173396435	 0.1889579775	-3.3850759041	-0.239182
+H	 1.7411104947	 0.9426358421	-4.4810167648	 0.106925
+H	 2.0034169809	-0.719797167	-3.9129339598	 0.084728
+H	 3.4159041026	 0.8373876474	-2.5759436361	 0.101131
+H	 2.0147780399	 1.8539418412	-2.2666473069	 0.106064
+H	 2.8639791648	-0.6153414844	-0.8125763644	 0.078392
+H	 1.791006873	 1.9551952874	 0.2171681882	 0.102187
+H	-0.8537350786	 0.7798187414	 0.0266609064	 0.103612
+H	 0.639124565	-1.6947992361	-0.6361928007	 0.089238
+H	 0.2193854604	-1.8198207401	-2.9207000734	 0.089024
+H	-1.1620882198	-0.8648364465	-2.3526855654	 0.10779
+19
+0 139	3.3603956	1.4889357	1.1855806	2.3617	74.08	-0.24742	0.07473	0.32215	1058.0518	0.158949	-422.516657	-422.509374	-422.50843	-422.548368	28.796
+C	 0.1636455266	-2.9375498661	 0.052682504	-0.204889
+C	-1.0065462954	-2.5236532674	-0.8323478189	-0.057603
+O	-1.1839848223	-1.1167283515	-0.7949504428	-0.270018
+C	-0.1025442757	-0.3350377745	-1.2607368322	 0.059922
+C	 0.1089003659	 0.7882328144	-0.2294351872	 0.0247
+O	 1.3250689743	 1.4686919172	-0.5305239606	-0.249071
+C	 1.398496384	 0.2223077917	 0.1827497386	 0.002305
+C	 1.344068011	-0.8724362973	-0.9041296828	-0.035525
+C	 1.4588805476	-2.3516135314	-0.5232914299	-0.24289
+H	-0.0236168007	-2.5682577159	 1.0678902449	 0.106385
+H	 0.2335254491	-4.0295893277	 0.1071999771	 0.09617
+H	-0.8465768334	-2.8729613217	-1.8668866679	 0.085422
+H	-1.9516017739	-2.9463393196	-0.4796051805	 0.107814
+H	-0.263309912	-0.0360347469	-2.3050168301	 0.075268
+H	-0.6609664754	 1.3168485514	 0.3207511339	 0.108012
+H	 1.9085220297	 0.227145406	 1.1399987569	 0.101059
+H	 2.0697592148	-0.6358447777	-1.6874371996	 0.088753
+H	 1.7132169702	-2.9164263018	-1.4291170196	 0.103764
+H	 2.2986973258	-2.4902165112	 0.1679292067	 0.100422
+19
+0 140	2.4438696	2.1702314	1.6997729	2.028	72.92	-0.24313	0.0764	0.31953	887.2554	0.161277	-422.554569	-422.548052	-422.547108	-422.585051	27.404
+C	-0.932347425	 1.3359256786	 0.7396650862	-0.265182
+C	 0.0936328458	 1.5025449877	 1.8523225951	-0.105933
+C	 1.4692294442	 1.2120137264	 1.2464592034	-0.088283
+C	 1.2324087117	 0.7103309093	-0.1737093841	-0.228827
+C	-0.2743743731	 0.3555750696	-0.2487692262	 0.093867
+O	-0.5203592099	-1.0181549523	 0.0662817981	-0.259817
+C	-0.5258218037	-1.3447965209	 1.4288957272	 0.011375
+O	 0.6665146399	-1.0310118847	 2.0972879676	-0.245938
+C	 0.924256792	 0.3282392097	 2.3307481431	 0.106446
+H	-1.9211346336	 1.0009729023	 1.0655937603	 0.111121
+H	-1.0689293031	 2.3029807302	 0.2412197029	 0.104476
+H	-0.0508709335	 2.3130412919	 2.5589753548	 0.08512
+H	 2.3356564302	 1.8328147378	 1.4466955064	 0.080806
+H	 1.4575451797	 1.5075373599	-0.8912493027	 0.098641
+H	 1.8403680674	-0.160708759	-0.4335319024	 0.117132
+H	-0.6610804034	 0.4709003682	-1.2636760952	 0.086461
+H	-1.3738548076	-0.8736264878	 1.9474015587	 0.086269
+H	-0.6249735554	-2.431582203	 1.4721379399	 0.11512
+H	 1.3590948574	 0.4529408063	 3.318073557	 0.097146
+19
+0 141	2.483709	2.1388352	1.6656802	1.9318	72.86	-0.24083	0.07624	0.31706999999999996	896.3168	0.161037	-422.557347	-422.550715	-422.549771	-422.587977	27.592
+C	 2.2420263347	-0.6233075955	-1.0148575672	-0.257443
+C	 1.1055240331	 0.375341418	-0.901559604	-0.108149
+C	 1.0421106673	 1.2046661304	 0.3744986324	-0.066086
+C	 2.2503614616	 1.4233745968	 1.2784885784	-0.251077
+C	 2.7180485612	 0.1917965745	 2.0614015755	-0.069754
+O	 3.1477649795	-0.8997349047	 1.26029618	-0.263711
+C	 2.199515294	-1.3866870476	 0.33138462	 0.173298
+O	 0.8725926386	-1.269870028	 0.809044248	-0.248046
+C	 0.2908015556	-0.1041221674	 0.26593401	 0.078658
+H	 2.0492895319	-1.3122985533	-1.8437487404	 0.107285
+H	 3.2307553208	-0.1816845438	-1.159980218	 0.114986
+H	 0.6496246716	 0.759002181	-1.8065857949	 0.087713
+H	 0.4002813003	 2.0772019907	 0.2817229075	 0.086997
+H	 3.086943017	 1.825069462	 0.6923860542	 0.106451
+H	 1.9963374662	 2.1901322071	 2.0205099752	 0.103025
+H	 3.5901246071	 0.4527836394	 2.6679667669	 0.103256
+H	 1.918626605	-0.1326927909	 2.7387811017	 0.108444
+H	 2.4244853411	-2.4514589057	 0.2265924332	 0.094579
+H	-0.7911718166	-0.1455435831	 0.2961972813	 0.099575
+19
+0 142	2.4870504	2.1050687	1.6669348	0.9162	73.3	-0.23036	0.0777	0.30806	897.6558	0.160943	-422.548561	-422.541911	-422.540967	-422.579243	27.512
+C	 2.298554558	-0.4060131806	-0.8844507275	-0.240224
+C	 1.113447427	 0.5444004695	-0.8068308233	-0.107402
+C	 0.8921274561	 1.3520776283	 0.4690679385	-0.08493
+C	 1.9535482569	 1.6432291242	 1.5259801393	-0.110454
+O	 3.1950481269	 0.9873709562	 1.3516315719	-0.23732
+C	 3.1511923023	-0.4152470812	 1.5144166158	-0.086304
+C	 2.2563319017	-1.1201885743	 0.4855337789	 0.057685
+O	 0.8820911387	-1.0997026868	 0.9026775216	-0.264838
+C	 0.2502562202	-0.000301707	 0.2991723725	 0.087486
+H	 2.1322971452	-1.1171495955	-1.7000701699	 0.101822
+H	 3.2571269021	 0.0907263743	-1.0459335524	 0.119966
+H	 0.6918789665	 0.917361667	-1.7329558951	 0.08857
+H	 0.2051043705	 2.1854990948	 0.3373480477	 0.087784
+H	 2.1935395611	 2.7106434075	 1.5008626919	 0.110309
+H	 1.5436915852	 1.4173811395	 2.524964294	 0.095487
+H	 4.1853715566	-0.7559554686	 1.3939582232	 0.103543
+H	 2.8077449589	-0.6883345759	 2.5244358386	 0.098586
+H	 2.5485941145	-2.1741558112	 0.4314690439	 0.084696
+H	-0.8248633983	-0.1250573303	 0.2460685703	 0.095538
+19
+0 143	2.4567736	2.1559815	1.680561	0.7341	72.9	-0.22686	0.07415	0.30101	893.8888	0.1608	-422.544578	-422.537904	-422.536959	-422.575263	27.681
+C	-0.026040966	 2.1585151634	-0.4636101151	-0.242243
+C	 0.6287256297	 2.127296093	 0.9079992045	-0.134123
+C	 1.7000675616	 1.0663240061	 0.7807604198	 0.039038
+O	 1.6383144367	 0.4546559339	-0.4799315896	-0.26059
+C	 0.9351662044	 1.3397815199	-1.3669173487	 0.077814
+C	 1.9500639053	 2.1930715136	-2.1492268047	-0.220802
+C	 3.0942138356	 2.6763022574	-1.2548147182	-0.067204
+O	 2.631916281	 3.3346018772	-0.0825973197	-0.26094
+C	 2.0917590815	 2.5250637476	 0.9198218898	 0.066986
+H	-1.0067080621	 1.6760979695	-0.4114621219	 0.105444
+H	-0.1669297207	 3.1727656505	-0.8472804001	 0.112515
+H	 0.0133712552	 2.25697466	 1.7907408823	 0.08604
+H	 1.964098359	 0.3572770312	 1.5571856657	 0.100477
+H	 0.3774396308	 0.7069964057	-2.0632272837	 0.085384
+H	 2.38233205	 1.597334562	-2.9621585322	 0.099869
+H	 1.433663347	 3.0434316519	-2.608863957	 0.101875
+H	 3.7348837625	 1.8286155406	-0.9836634678	 0.111193
+H	 3.7063434389	 3.4118058783	-1.785078792	 0.103526
+H	 2.4975094897	 2.7911884084	 1.8937454986	 0.095741
+19
+0 144	2.4638242	2.1378024	1.6447005	1.147	72.88	-0.22554	0.07915	0.30469	904.6808	0.160572	-422.551827	-422.545092	-422.544148	-422.582611	27.764
+C	 0.8800413428	 1.6591642346	 1.6710195957	-0.202805
+C	 1.9424229464	 0.5548289417	 1.5597698602	-0.227119
+C	 2.2454398648	 0.0645310502	 0.1476635061	-0.104638
+C	 2.9624488022	 0.9189320104	-0.8807515302	 0.045004
+O	 2.9537044744	 2.3075033852	-0.6692210454	-0.265163
+C	 1.5948079495	 2.7235850342	-0.5400586538	 0.183524
+C	 1.2203795812	 2.9568128526	 0.9279272771	-0.213178
+O	 0.7858436214	 1.706234081	-1.1207975894	-0.259239
+C	 1.5448637099	 0.5233253944	-1.1293977502	 0.031549
+H	-0.0700433815	 1.2757913225	 1.2851435208	 0.114889
+H	 0.720789868	 1.8873884273	 2.7306494193	 0.092176
+H	 2.8780455567	 0.8940933275	 2.0238822445	 0.105936
+H	 1.6018143311	-0.302701797	 2.1507283945	 0.100926
+H	 2.5371743288	-0.982682878	 0.0924143492	 0.088683
+H	 3.8319802748	 0.5855196548	-1.4335675117	 0.103676
+H	 1.468609052	 3.6403110267	-1.128121896	 0.0922
+H	 2.0598010271	 3.4815674714	 1.3981666518	 0.107881
+H	 0.3573261686	 3.6318781893	 0.9653593236	 0.098945
+H	 1.2018601216	-0.1783424291	-1.8793568261	 0.106754
+19
+0 145	2.5281403	2.0582665	1.4892049	2.1088	73.78	-0.24456	0.08225	0.32681	933.9061	0.160343	-422.521271	-422.514359	-422.513415	-422.552227	28.188
+C	 2.7002730416	 0.2480876296	-0.2585526141	-0.26847
+C	 1.3922583447	-0.3306082303	 0.291514858	-0.072214
+C	 1.1190847155	-1.7104786744	-0.225572149	-0.022334
+C	 2.1283017559	-2.8169800276	-0.4969666838	-0.124105
+O	 3.2352643318	-2.4588248271	-1.3103439597	-0.236645
+C	 2.8952945933	-1.9892594815	-2.5900365069	 0.017808
+O	 2.8805615736	-0.5912451459	-2.6860759197	-0.255244
+C	 2.1187675661	 0.0840593114	-1.7059795754	 0.134562
+C	 0.8388007351	-0.5402600278	-1.1357723684	-0.142901
+H	 2.8481741314	 1.2986897701	 0.0017692331	 0.097894
+H	 3.6116893435	-0.3096850556	-0.0437034144	 0.117746
+H	 0.8562714842	 0.0593003153	 1.1485157632	 0.08656
+H	 0.1975029281	-2.1227679548	 0.1843869385	 0.090027
+H	 2.5611664386	-3.1788159434	 0.4419484789	 0.113405
+H	 1.5919923224	-3.6629165994	-0.9576854309	 0.095514
+H	 3.6748436617	-2.3176268195	-3.2832932568	 0.111876
+H	 1.9242088005	-2.4137703858	-2.8942611049	 0.082158
+H	 1.9068385123	 1.0638792579	-2.1394865098	 0.091714
+H	-0.1576833805	-0.3524804313	-1.5186529978	 0.08265
+19
+0 146	2.5917373	2.0287173	1.4568411	0.7109	73.97	-0.23705	0.08491	0.32196	940.5175	0.159895	-422.516225	-422.509325	-422.508381	-422.547087	28.426
+C	 0.121541175	 1.2118048153	-2.3382448038	-0.293397
+C	 0.4675175172	 1.4732562865	-0.871085049	-0.088309
+C	 1.4251182389	 0.4332726085	-0.3868065223	 0.104707
+O	 2.4083066384	-0.095770024	-1.2301294253	-0.258864
+C	 2.2188496908	-1.451147578	-1.6147550083	-0.092467
+C	 1.2933855996	-1.5885076552	-2.8220229306	-0.075353
+O	-0.0829149184	-1.3854284992	-2.5590445795	-0.26182
+C	-0.4548919327	-0.1880349394	-1.9164373783	 0.13224
+C	-0.0198100029	 0.0536193393	-0.4678107294	-0.157411
+H	-0.6504933277	 1.8678495115	-2.7428284254	 0.103858
+H	 0.9797847494	 1.2098833193	-3.0129198983	 0.113855
+H	 0.321930898	 2.4097089348	-0.3475928851	 0.089607
+H	 1.7844916864	 0.5871051106	 0.6301419983	 0.09178
+H	 3.209411932	-1.8302816591	-1.8917820949	 0.105717
+H	 1.8412349585	-2.0506755941	-0.7757893214	 0.103241
+H	 1.6488799324	-0.9048438999	-3.6078031861	 0.100064
+H	 1.3637107173	-2.6100723529	-3.2129349701	 0.104829
+H	-1.5449985277	-0.1713569937	-1.9859781582	 0.093013
+H	-0.5749563644	-0.2714783502	 0.4049119278	 0.084708
+19
+0 147	2.64171	1.9912995	1.4512749	2.1762	73.89	-0.24128	0.08395	0.32523	941.9294	0.160189	-422.522841	-422.515964	-422.51502	-422.553769	28.13
+C	 1.6233530095	-2.476349649	 1.4007917052	-0.254855
+C	 3.1246519973	-2.360792229	 1.111681074	-0.088421
+C	 3.3451521806	-1.7613548577	-0.2384997776	 0.111225
+O	 2.5235458984	-0.7368957537	-0.7326701468	-0.245055
+C	 1.6169758008	-1.0853048661	-1.7492794344	 0.013262
+O	 0.4167281583	-1.6180105591	-1.2658449732	-0.225723
+C	 0.4514193689	-3.0007375684	-0.9440846277	-0.107188
+C	 1.4624971535	-3.3807550746	 0.1330709337	-0.010042
+C	 2.9584018958	-3.2063332803	-0.1782010074	-0.146111
+H	 1.3959806076	-3.0060945529	 2.3269502295	 0.100944
+H	 1.0792485501	-1.5295405508	 1.3758072264	 0.121842
+H	 3.9121188362	-2.3942845687	 1.8548106442	 0.086615
+H	 4.3930089027	-1.5978730904	-0.4859315007	 0.093309
+H	 1.3543377307	-0.1483856477	-2.246340588	 0.11252
+H	 2.0887651019	-1.7807297028	-2.463176626	 0.07922
+H	-0.5644014921	-3.2396219753	-0.6114107465	 0.108555
+H	 0.6536648434	-3.5934701031	-1.8528475277	 0.087797
+H	 1.2635682575	-4.4157732043	 0.4298502931	 0.079569
+H	 3.5970463189	-3.980946796	-0.5884836001	 0.082537
+19
+0 148	2.7907105	1.8654272	1.433513	1.0604	73.63	-0.22755	0.07577	0.30332000000000003	951.3266	0.159618	-422.507534	-422.50055	-422.499605	-422.538586	28.439
+C	 1.7964541067	-0.134548711	-0.0691161449	-0.060854
+C	 0.6421613029	 0.6134542257	 0.6116584105	-0.266991
+C	 0.0473439122	 1.7544338015	-0.2003879629	-0.048244
+C	-1.3795304973	 1.6708656783	-0.6715779917	 0.069909
+O	-1.7283228655	 0.2996439053	-0.8901888571	-0.304779
+C	-0.7312844105	 0.2097324082	-1.9640377674	 0.098041
+C	 0.3179419104	-0.9098824874	-1.8159824393	-0.11576
+O	 1.5929301115	-0.428845187	-1.4436953155	-0.234958
+C	-0.2696629276	 1.6364537996	-1.6858230178	-0.139075
+H	 2.7143318386	 0.4629987762	-0.0510273708	 0.105033
+H	 1.99545418	-1.0629187751	 0.4921556772	 0.086406
+H	-0.1604770147	-0.0976517821	 0.8291241223	 0.126134
+H	 1.0009901483	 0.9846984874	 1.5781417733	 0.097178
+H	 0.362121815	 2.7608742725	 0.0633614884	 0.089825
+H	-2.1797967502	 2.3701872636	-0.4610286296	 0.102118
+H	-1.272914828	 0.1080284035	-2.9113902956	 0.084631
+H	-0.066025436	-1.6732166005	-1.1222129324	 0.106432
+H	 0.4697981649	-1.3918233179	-2.787228607	 0.108306
+H	 0.0565423091	 2.3591571991	-2.4201870796	 0.096646
+19
+0 149	2.5888813	1.9821112	1.4205759	1.2121	73.87	-0.22964	0.07781	0.30745	954.8412	0.159758	-422.512901	-422.505886	-422.504942	-422.544083	28.354
+C	-1.1984706566	 0.1139899452	 0.788715404	-0.075386
+C	-0.8510369747	-1.3054746036	 1.2433886371	-0.234178
+C	 0.6203068395	-1.6666149707	 1.1268776035	 0.127234
+O	 1.2460461265	-1.2746740549	-0.1377810152	-0.307167
+C	 2.3441225842	-0.7011478651	 0.5771447207	 0.073009
+C	 1.9021658095	 0.4789820512	 1.3882140534	-0.058915
+C	 0.7808032175	 1.4299435888	 0.9714215016	-0.116269
+O	-0.4986277996	 1.1215230481	 1.4934777995	-0.241027
+C	 1.6958476578	-0.9251413609	 1.9238012605	-0.162161
+H	-1.0143267736	 0.208185109	-0.2907741541	 0.104311
+H	-2.2641541287	 0.2969311716	 0.9648818687	 0.09969
+H	-1.1452543278	-1.4417042985	 2.2916755859	 0.109939
+H	-1.4492682208	-2.010374547	 0.6503406565	 0.100862
+H	 0.7515892013	-2.7492271777	 1.252530778	 0.083887
+H	 3.3428514303	-0.8793658099	 0.1951167871	 0.101326
+H	 2.7366284737	 0.9618440564	 1.8931352259	 0.091755
+H	 1.0146833429	 2.4315297741	 1.3454378952	 0.10372
+H	 0.732076958	 1.4852881383	-0.1259200987	 0.102542
+H	 2.1108829105	-1.2609550047	 2.8644402602	 0.096829
+19
+0 150	2.5346555	2.0395034	1.4286935	2.2839	74.04	-0.22575	0.08128	0.30703	953.2803	0.159348	-422.512278	-422.505224	-422.50428	-422.543431	28.564
+C	 1.9773399776	-0.4837229045	 1.6727212789	-0.193166
+C	 2.7592300084	-0.3264922856	 0.3677261967	-0.07552
+O	 1.9888538393	-0.6853482237	-0.7723003407	-0.249118
+C	 1.1219905895	 0.2698471079	-1.2869415088	 0.098084
+C	-0.3510824049	 0.2515715901	-1.0401356328	 0.061682
+O	-0.6653159612	-0.1930812014	 0.275900162	-0.296787
+C	 0.0078140712	 0.9663641678	 0.8497142539	 0.136909
+C	 0.9848136007	 0.6472919401	 1.9702421503	-0.233078
+C	 0.5031913381	 1.4175155445	-0.5279378438	-0.240358
+H	 1.4425697111	-1.4374032372	 1.6198057985	 0.124727
+H	 2.6883082412	-0.5560993797	 2.5051083527	 0.090063
+H	 3.1538614949	 0.6951747002	 0.2623559544	 0.08937
+H	 3.6112198609	-1.0139356986	 0.3623283262	 0.104908
+H	 1.3694707369	 0.5529156782	-2.3113808108	 0.094801
+H	-1.123970909	 0.1763500322	-1.797108082	 0.102546
+H	-0.7574218504	 1.6651071934	 1.2122829193	 0.083355
+H	 1.5259429017	 1.5768100411	 2.1967700644	 0.099871
+H	 0.4146737846	 0.3971005545	 2.8735292935	 0.105842
+H	 0.5794165094	 2.4491229707	-0.8468056019	 0.095869
+19
+0 151	3.304105	1.7003302	1.4032685	1.0392	74.91	-0.24517	0.09643	0.3416	962.738	0.159956	-422.499727	-422.492879	-422.491935	-422.530721	27.768
+C	-0.3796241834	-0.3294338654	-0.3909022315	-0.248036
+C	-0.3652642704	 1.1391111683	 0.1111658848	-0.082539
+C	 0.2322228232	 0.5924426374	 1.4530308379	 0.01032
+C	 1.0959105622	 1.4483316479	 2.3961963463	-0.130517
+O	 2.4796292908	 1.3291075743	 2.0814863088	-0.244639
+C	 2.883512778	 2.0567919503	 0.9463777879	 0.004557
+O	 1.8462511618	 2.2994183291	 0.0412326484	-0.268225
+C	 1.0838545507	 1.2090766111	-0.4340073538	 0.152317
+C	 0.9936904694	-0.1600178298	 0.3166270395	-0.086618
+H	-1.0879653218	-1.0024771716	 0.0960077638	 0.098785
+H	-0.3624728651	-0.4809400337	-1.4736141678	 0.09333
+H	-1.143095838	 1.8938933568	-0.0106482664	 0.073201
+H	-0.4709047274	-0.0279786683	 2.0181550482	 0.065356
+H	 0.7738656793	 2.4985892224	 2.4045504843	 0.103256
+H	 1.0122360812	 1.0652340809	 3.4169386862	 0.106972
+H	 3.2415925328	 3.0589221095	 1.2238861708	 0.100056
+H	 3.7082861663	 1.4805859438	 0.500758542	 0.09631
+H	 1.2015317289	 1.146272267	-1.5212632438	 0.074398
+H	 1.7764731413	-0.9083922001	 0.4326319246	 0.081715
+19
+0 152	3.1827841	1.7544033	1.4146131	1.8239	74.67	-0.24599	0.08003	0.32602	960.0566	0.159738	-422.490936	-422.483977	-422.483033	-422.522262	27.937
+C	-0.5186231475	-0.3814176871	-0.479018199	-0.253053
+C	-0.6601058361	-0.128536602	 1.0470428116	-0.154625
+C	-0.2073807265	 1.3341747943	 0.7371401291	 0.164691
+O	-0.4957340641	 2.3943775234	 1.6124089896	-0.262613
+C	-0.9267867725	 2.0393475447	 2.9070604094	-0.096884
+C	-2.3102101853	 1.3125547157	 2.8992275993	-0.096893
+O	-2.8356670815	 1.1652190136	 1.5991658693	-0.262611
+C	-2.1185965184	 0.3302250259	 0.7263103873	 0.164688
+C	-1.2390161352	 0.9889146799	-0.3792936408	-0.112841
+H	 0.4983374368	-0.3714747972	-0.8759907957	 0.10189
+H	-1.1003487866	-1.2112553154	-0.8850472684	 0.10189
+H	-0.32107221	-0.7826230221	 1.851043501	 0.077979
+H	 0.8292600415	 1.4400963106	 0.3958294064	 0.0714
+H	-0.1749913445	 1.4150013772	 3.412421139	 0.090747
+H	-0.9950242084	 2.981237736	 3.4586905927	 0.112033
+H	-2.2271104388	 0.3368442774	 3.4006997401	 0.09075
+H	-3.0519365609	 1.9005545725	 3.447139941	 0.112031
+H	-2.7910148697	-0.4616063064	 0.37532195	 0.071399
+H	-1.5720469522	 1.6316848993	-1.193269652	 0.080022
+19
+0 153	3.1859738	1.6158905	1.3145942	2.0684	74.02	-0.23141	0.0646	0.29601	997.8177	0.159259	-422.478597	-422.471484	-422.470539	-422.510004	28.379
+C	-2.2468390605	 0.2116325281	-0.8016757918	-0.059984
+C	-1.3312861411	 0.5590859698	 0.3805481353	-0.294149
+C	-0.1145292647	 1.444832533	 0.0721563441	 0.020729
+C	 1.2626386094	 0.7902740482	-0.2060198563	 0.015262
+O	 1.717308402	 2.066279139	-0.7950753805	-0.30952
+C	 0.3745731906	 1.8191075024	-1.3666303208	 0.025029
+C	 0.7954811701	 0.3482506065	-1.6241049365	 0.004641
+C	-0.3026529058	-0.6873961865	-1.9077338405	-0.140248
+O	-1.5818937095	-0.0867341252	-2.0187268848	-0.243738
+H	-2.8937182908	-0.6310964837	-0.5086079807	 0.091334
+H	-2.9023699803	 1.0584671644	-1.0341712694	 0.109577
+H	-1.9567180202	 1.0462749238	 1.1361797934	 0.108849
+H	-0.9786664456	-0.3662177813	 0.8513590511	 0.110416
+H	-0.0224619884	 2.2944925065	 0.7517203691	 0.084933
+H	 1.9381792037	 0.2873793081	 0.4888974343	 0.08767
+H	-0.0187716809	 2.5572147447	-2.0649112836	 0.096673
+H	 1.6392093676	 0.2677147496	-2.3133503585	 0.084034
+H	-0.1174391067	-1.1392552635	-2.8865417446	 0.114475
+H	-0.2989146288	-1.5078981838	-1.1740146392	 0.094015
+19
+0 154	3.1360885	1.6659015	1.3510493	2.1786	73.77	-0.2356	0.06249	0.29809	985.3435	0.159213	-422.483682	-422.476558	-422.475614	-422.515168	28.427
+C	-2.2166487334	-0.7137250394	 0.1516697861	-0.224483
+C	-1.2692270448	-0.9814693933	 1.351879928	-0.070517
+O	-0.3897625019	 0.0973044409	 1.6313393217	-0.26067
+C	 0.5780665501	 0.4047135431	 0.6692108371	 0.122199
+C	 0.4404462341	 0.0452841444	-0.8441973635	-0.024888
+O	 1.3813918878	 1.1450956353	-1.1175112778	-0.306194
+C	 0.4078666551	 1.7065168617	-0.155823103	 0.006528
+C	-0.7409722724	 1.0511842826	-0.9760014159	 0.015726
+C	-2.1175427042	 0.7289537372	-0.3706003388	-0.240653
+H	-1.9879514754	-1.4011033935	-0.6709589729	 0.103208
+H	-3.248407958	-0.9281442712	 0.4499784423	 0.100519
+H	-1.8462662496	-1.1051706109	 2.2723286914	 0.113264
+H	-0.699218263	-1.9089726025	 1.197243267	 0.095563
+H	 1.588776645	 0.2558544721	 1.061422388	 0.088864
+H	 0.6183434369	-0.9006177599	-1.357226218	 0.093684
+H	 0.5392021762	 2.7446050772	 0.1505463392	 0.092611
+H	-0.7972201105	 1.4736005051	-1.9819363003	 0.082696
+H	-2.3517769886	 1.4327673038	 0.4346496389	 0.113827
+H	-2.8834796034	 0.869920427	-1.1398362096	 0.098718
+19
+0 155	4.7361118	1.0332915	0.9244436	0.2483	75.35	-0.23256	0.06543	0.29799	1288.6135	0.157244	-422.486276	-422.478248	-422.477304	-422.519803	29.768
+C	-0.077902232	-0.7195139337	 0.027782049	-0.306893
+C	 1.3344074138	-0.2580511084	-0.130973778	 0.108033
+O	 1.746604069	-0.3434408272	-1.4998495146	-0.306326
+C	 0.7391124763	 0.6467149581	-1.8705767238	 0.105414
+C	 0.2025271489	 0.6933865684	-0.4433116713	-0.129884
+C	 1.416914198	 1.9166377499	-2.3425599526	 0.147257
+C	 1.9862385686	 1.9169945897	-3.7771787309	-0.301003
+C	 0.9384755304	 3.0183712256	-4.0380804896	-0.060412
+O	 0.4436055987	 2.932753875	-2.682348597	-0.299872
+H	-0.4774548729	-1.464845977	-0.6547478806	 0.115999
+H	-0.4370129223	-0.7891625499	 1.0501359392	 0.116071
+H	 2.1031765418	-0.2771626575	 0.6325643004	 0.103415
+H	 0.0569959299	 0.2679337603	-2.6430453336	 0.078498
+H	-0.1520768484	 1.5793830701	 0.0646540895	 0.111236
+H	 2.1119615926	 2.2672935489	-1.5685982778	 0.076773
+H	 3.0286668845	 2.2225827645	-3.8683762177	 0.114808
+H	 1.836714965	 0.9856473168	-4.3264217305	 0.117709
+H	 1.343041261	 4.0134868792	-4.2593038253	 0.103905
+H	 0.1592169571	 2.7829265073	-4.7725912146	 0.105273
+19
+0 156	4.7454664	1.0008223	0.9046984	2.6032	74.99	-0.23805	0.07663	0.31468	1300.4439	0.157344	-422.482628	-422.474623	-422.473679	-422.516138	29.61
+C	-0.1527322911	-0.3519482131	-0.5987751418	-0.306302
+C	 1.316885267	-0.295972988	-0.3309798757	 0.109311
+O	 2.0468369701	-0.0355510628	-1.5324154271	-0.305872
+C	 1.4003940721	 1.2708361689	-1.6529935056	 0.118102
+C	 0.5309220778	 0.9900065728	-0.4271117048	-0.143504
+C	 2.4128858464	 2.3837898314	-1.5041247037	-0.039422
+C	 1.8935845134	 3.7938366775	-1.8700147949	-0.09287
+O	 2.6830398108	 3.8207494221	-3.0745126442	-0.272001
+C	 3.3399264767	 2.5831550266	-2.7228682059	-0.088327
+H	-0.5065079277	-0.6730195067	-1.5747622416	 0.11808
+H	-0.7726051223	-0.6528435798	 0.2403880961	 0.116655
+H	 1.834602062	-0.7906184083	 0.4825066797	 0.104487
+H	 0.8722333411	 1.3607736902	-2.6125753929	 0.087013
+H	 0.2512738747	 1.7121221071	 0.3284342118	 0.100584
+H	 2.9184920661	 2.300685149	-0.5398034017	 0.08048
+H	 0.8188153595	 3.8787148558	-2.0780531702	 0.101516
+H	 2.1816083024	 4.5885861007	-1.1696109473	 0.098683
+H	 3.2627480465	 1.8309779905	-3.5164741649	 0.113483
+H	 4.3984175145	 2.7367461862	-2.4783545452	 0.099905
+19
+0 157	4.593469	1.0011896	0.8933976	2.7659	75.09	-0.24706	0.07666	0.32372	1309.8318	0.157089	-422.491423	-422.483348	-422.482404	-422.525065	29.778
+C	-0.1595722945	-1.9841059069	-4.0872494745	-0.061012
+C	-1.2941903601	-1.4276929679	-3.2038295135	-0.299833
+C	-0.1837061427	-1.2527230271	-2.1413540978	 0.145563
+O	 0.8301902144	-1.6974579046	-3.077103788	-0.298808
+C	 0.0954284715	 0.1388779017	-1.6190090039	-0.025662
+C	-0.8408748278	 0.5642686712	-0.4259816851	-0.28637
+C	 0.4030938138	 0.6049702423	 0.4723813505	 0.038171
+O	 1.3125991206	 1.5441229234	-0.1095875357	-0.249019
+C	 1.2840724897	 0.2167036856	-0.6419293522	 0.021937
+H	-0.2221737647	-3.0582754539	-4.3030864773	 0.101894
+H	 0.041437071	-1.447601931	-5.0216905164	 0.106671
+H	-1.7285207327	-0.4891269309	-3.5539777039	 0.112433
+H	-2.0952547359	-2.1239608646	-2.9528880777	 0.110559
+H	-0.2635358494	-1.9597695281	-1.3014297076	 0.068415
+H	 0.1630744798	 0.8478942773	-2.4492556791	 0.080895
+H	-1.3711289143	 1.5133940928	-0.5283956367	 0.112371
+H	-1.5493458555	-0.2230623636	-0.152219142	 0.105891
+H	 0.4845240759	 0.4336786939	 1.5394604141	 0.102806
+H	 2.2163925309	-0.3347422095	-0.6659182531	 0.113099
+19
+0 158	4.6514324	0.9548195	0.8588138	2.0895	74.52	-0.2478	0.07565	0.32345	1336.0803	0.157078	-422.486221	-422.478085	-422.477141	-422.520386	29.663
+C	-1.1154803258	-3.3195454949	-0.7196567944	-0.085285
+O	-2.1235673685	-3.5885361393	 0.2747357383	-0.27013
+C	-1.5805520746	-2.5964891987	 1.1675469218	-0.090662
+C	-0.4484057841	-2.2441943282	 0.1718218667	-0.042709
+C	-0.4140529861	-0.8270679953	-0.3651309056	-0.025192
+C	 0.7349539983	-0.5504770262	-1.4088083921	-0.283617
+C	 1.3356390649	 0.4516035454	-0.4143638382	 0.038628
+O	 0.333269631	 1.4401011303	-0.1521898621	-0.246758
+C	 0.2628284332	 0.204039943	 0.5625238184	 0.014327
+H	-0.5099768455	-4.2070731971	-0.9408144339	 0.09973
+H	-1.5500656847	-2.9444570258	-1.6558771046	 0.100672
+H	-2.2961113102	-1.7871909497	 1.3675987825	 0.100745
+H	-1.2644081204	-3.0333352361	 2.1229380479	 0.10034
+H	 0.5432746905	-2.5372290757	 0.5303110949	 0.075992
+H	-1.4125977032	-0.5174085513	-0.691208128	 0.086265
+H	 1.3648842431	-1.4296681698	-1.5706323637	 0.106604
+H	 0.4414971079	-0.1281558168	-2.3724181605	 0.113421
+H	 2.3689124426	 0.7483935773	-0.2768396314	 0.104409
+H	 0.2568375415	 0.2553251592	 1.646052934	 0.10322
+19
+0 159	3.1784025	1.7998472	1.4773855	3.0217	73.86	-0.24932	0.08222	0.33154	935.0197	0.160139	-422.537048	-422.530238	-422.529294	-422.568294	27.694
+C	-0.211844681	-0.8181699123	 0.4509494424	-0.262616
+C	 0.2328618729	-0.1758034146	 1.7742138395	 0.09965
+C	-0.7678819969	 0.9897724941	 1.4558293305	-0.337082
+C	-0.2395286207	 0.6893780845	 0.024253773	 0.293628
+C	-0.4718643505	 1.1090810561	-1.4067179317	-0.400784
+C	 0.9121203039	 0.7091113846	-2.0239869418	-0.071711
+O	 1.8680189914	 0.5753497918	-0.9483205031	-0.290355
+C	 1.2349299958	 1.0329485773	 0.2251233947	 0.247448
+O	 1.5396769662	 0.3528533897	 1.4306402754	-0.294403
+H	 0.500961117	-1.4852545863	-0.0349477338	 0.117775
+H	-1.2153643051	-1.2479836301	 0.4810707785	 0.096281
+H	 0.2810747296	-0.6895684384	 2.7323236652	 0.085647
+H	-1.8076649802	 0.7044791424	 1.6248808589	 0.106603
+H	-0.5561164904	 1.9714269747	 1.8872557475	 0.105348
+H	-1.3013739876	 0.5988315698	-1.9013591457	 0.109573
+H	-0.6371597935	 2.1883651722	-1.4905375721	 0.111713
+H	 0.8562255684	-0.2522568171	-2.5455549821	 0.112593
+H	 1.2691620432	 1.461563749	-2.7359360815	 0.107255
+H	 1.4496955974	 2.1038455228	 0.3657715363	 0.063437
+19
+0 160	3.2128123	1.7317358	1.4316466	1.8691	73.93	-0.24576	0.07741	0.32317	947.4341	0.160219	-422.527778	-422.520983	-422.520038	-422.558982	27.67
+C	-1.2269575216	 2.4462060623	 0.201250109	-0.329507
+C	-1.4045756251	 2.2125070207	-1.3375288032	 0.102221
+C	-1.2752691034	 0.7066846157	-1.0396476645	-0.268555
+C	-0.2392390214	 1.2633026773	-0.0047146959	 0.281095
+C	 0.6506619665	 0.3842130335	 0.8320251282	-0.198294
+O	 1.7109752236	-0.0046914988	-0.0699629903	-0.282212
+C	 1.6950642441	 0.7793156135	-1.2777918467	-0.113344
+C	 0.7609175911	 1.9435333037	-0.9496153191	 0.105031
+O	-0.1169394113	 2.526133274	-1.9203448395	-0.298217
+H	-0.8173812982	 3.4053222634	 0.5273980487	 0.105439
+H	-2.1270034479	 2.1918285841	 0.7635298938	 0.106568
+H	-2.1995419249	 2.6607680789	-1.930498397	 0.085468
+H	-2.1487603017	 0.277325902	-0.5448827851	 0.101403
+H	-0.932197624	 0.065704386	-1.8530598863	 0.109027
+H	 1.0753013643	 0.9224360396	 1.6919718396	 0.099561
+H	 0.1629344264	-0.5241907169	 1.2003712969	 0.106788
+H	 2.7225174168	 1.0858810094	-1.4961774361	 0.104459
+H	 1.3215607219	 0.1859266881	-2.1224710796	 0.102293
+H	 1.3239195347	 2.7412723435	-0.4478566028	 0.080777
+19
+0 161	3.1750446	1.7748437	1.4502885	0.5411	73.89	-0.24139	0.0718	0.31318999999999997	944.4488	0.160032	-422.53189	-422.525155	-422.524211	-422.562864	27.873
+C	 1.7142787175	-0.618663577	-0.6974658039	-0.303857
+C	 2.7172638106	 0.1023892139	-1.6155112158	 0.096201
+C	 3.0012590626	 1.0760065738	-0.4151595209	-0.318472
+C	 1.4728834425	 0.870866162	-0.2669217614	 0.406503
+O	 0.5842196119	 1.2647253655	 0.7212077342	-0.330534
+C	-0.6947294548	 1.492736864	 0.0680600248	-0.090145
+C	-0.5084223157	 1.2795992772	-1.4671910737	-0.316559
+C	 1.0000810348	 1.4983091092	-1.5756406289	 0.122806
+O	 1.8438288986	 0.8320563601	-2.519678291	-0.30124
+H	 0.9129115652	-1.1784800677	-1.1826015012	 0.09918
+H	 2.1805393402	-1.2012691852	 0.0988406718	 0.104145
+H	 3.5056922197	-0.3943213863	-2.1751506203	 0.088574
+H	 3.6060700678	 0.5981572154	 0.3568808435	 0.108773
+H	 3.3653637057	 2.0808392605	-0.6405883025	 0.104304
+H	-1.4362928467	 0.8071993573	 0.4902656449	 0.113166
+H	-1.0064923019	 2.5170975031	 0.2996449031	 0.112559
+H	-0.7832563182	 0.2647894996	-1.7639104859	 0.118369
+H	-1.1104837621	 1.9818540473	-2.0471783599	 0.108847
+H	 1.2113167322	 2.5759143775	-1.598374227	 0.077377
+19
+0 162	3.2087154	1.7805912	1.4581316	1.1339	74.11	-0.24676	0.09057	0.33733	940.1729	0.160264	-422.539655	-422.532924	-422.531979	-422.570608	27.616
+C	-1.8976704329	 0.8097850043	-1.596235254	-0.287821
+C	-1.7337674583	 0.4546520231	-3.0958060091	-0.031151
+C	-1.7035630796	-1.0559543721	-2.6290101438	-0.308947
+C	-0.9469756041	-0.4094081829	-1.4471927018	 0.44669
+O	-0.5282287216	-0.8935858819	-0.2065437583	-0.343633
+C	 0.7093474505	-0.1988863646	 0.0596449379	-0.009864
+O	 1.0028452349	 0.6650933705	-1.0303267739	-0.284079
+C	 0.3379801839	 0.0411006675	-2.1226072573	 0.107632
+C	-0.2379122594	 0.8432386238	-3.3063964116	-0.271759
+H	-1.5451842752	 1.7855996742	-1.2542356536	 0.100375
+H	-2.8947948824	 0.5949234674	-1.2066701198	 0.099559
+H	-2.4535875088	 0.7837124544	-3.8433874797	 0.071392
+H	-2.7038116592	-1.4149896017	-2.3806675074	 0.109419
+H	-1.1714493536	-1.7893506395	-3.2415183065	 0.096505
+H	 0.617825426	 0.4130524849	 0.9632543978	 0.116256
+H	 1.4950190631	-0.9583883476	 0.189989117	 0.100564
+H	 0.9311789435	-0.8204807721	-2.4645732185	 0.070286
+H	-0.0849167892	 1.9209535569	-3.2071425609	 0.117857
+H	 0.1768164925	 0.5203651353	-4.2643891265	 0.100719
+19
+0 163	3.2259195	1.7414032	1.421974	2.5216	73.88	-0.24613	0.08253	0.32866	951.6006	0.160123	-422.539266	-422.532462	-422.531518	-422.570246	27.81
+C	 1.4043527546	 0.0756104394	-0.3555360983	-0.320534
+C	 1.0805386286	 1.5747372532	-0.0942434513	 0.074591
+C	 0.9335314304	 2.2226179462	-1.4968899541	-0.262346
+C	 0.0876290805	 1.088058712	-2.1359195456	-0.024454
+C	-1.3925950294	 1.2166215897	-2.4800704594	-0.098894
+O	-1.9320790695	-0.0908421726	-2.2222991979	-0.275801
+C	-1.1872659942	-0.7371988645	-1.1779732174	-0.183189
+C	-0.0350404444	 0.186660296	-0.880879183	 0.40065
+O	-0.2975893089	 1.1767217886	 0.1705378124	-0.324867
+H	 2.2008800355	-0.1945353312	-1.0541157746	 0.097817
+H	 1.4788823965	-0.4804782373	 0.5795410491	 0.115261
+H	 1.5414586103	 2.1464274527	 0.7114614001	 0.081816
+H	 0.4034551526	 3.1754116818	-1.4238542732	 0.113315
+H	 1.8851071763	 2.3900713816	-2.0079680727	 0.099875
+H	 0.6149253849	 0.5735962918	-2.9448444318	 0.079102
+H	-1.8764547409	 1.9693582713	-1.8423885668	 0.102399
+H	-1.6002619267	 1.4488475207	-3.5277190289	 0.103899
+H	-1.8159137279	-0.8802203332	-0.2908452262	 0.114642
+H	-0.8511219984	-1.7184885663	-1.5345520103	 0.106719
+19
+0 164	3.143543	1.8216495	1.4768884	2.0874	74.15	-0.24275	0.08382	0.32657	936.8554	0.159775	-422.540459	-422.533552	-422.532608	-422.57176	27.952
+C	 1.5555806133	 0.7096815762	 1.1284503513	-0.331408
+C	 0.0040980853	 0.6497367434	 1.2752177977	 0.06835
+C	-0.4283124073	-0.7105985905	 0.6690920504	-0.259669
+C	 0.4985824947	-0.6473933012	-0.5733380571	 0.1417
+O	-0.0989499559	-0.5682196307	-1.8522665512	-0.290499
+C	 0.495688694	 0.5196317539	-2.5859726206	-0.065303
+C	 1.5950673774	 1.1634972272	-1.6921507016	-0.38737
+C	 1.0910982406	 0.7550766118	-0.3369399699	 0.422585
+O	-0.0885605493	 1.5071895268	 0.1008019697	-0.325283
+H	 1.9513216905	 1.6615782523	 1.4835201379	 0.115093
+H	 2.1656854792	-0.133147436	 1.4648585598	 0.097529
+H	-0.518688178	 1.0351085216	 2.1507285318	 0.081452
+H	-0.2334605417	-1.573826104	 1.3104518688	 0.095725
+H	-1.4835107954	-0.6929604984	 0.3909821921	 0.123561
+H	 1.2604697785	-1.4402565286	-0.5600265082	 0.062995
+H	 0.9038779568	 0.1358644792	-3.5276066529	 0.101131
+H	-0.2880348363	 1.2486450529	-2.8199387297	 0.116356
+H	 2.5765811507	 0.7192915053	-1.8845991734	 0.11332
+H	 1.664203553	 2.244412989	-1.827082555	 0.119734
+19
+0 165	3.1729012	1.7265611	1.4157689	1.7212	74.98	-0.25458	0.09837	0.35295	958.9943	0.160229	-422.502575	-422.495928	-422.494984	-422.533197	27.755
+C	 1.1034666377	 0.9453418386	 1.0117146766	-0.312015
+C	 2.2527129527	 0.4561641275	 0.053448729	-0.106794
+C	 1.8083921608	-0.9931620453	 0.3841411658	-0.250613
+C	 0.4826694532	-0.1925988855	 0.1576590508	 0.318967
+C	-0.8553520655	-0.8061963639	-0.1468031521	-0.237133
+O	-0.6682168145	-1.5682231641	-1.3517225548	-0.245053
+C	-0.1068810641	-0.8327684521	-2.4115331746	 0.019025
+O	 1.2178945123	-0.3818535472	-2.1746496013	-0.268749
+C	 1.1707287269	 0.4739005009	-1.0537819091	 0.137111
+H	 1.2565708391	 0.7396234635	 2.0731443813	 0.100922
+H	 0.7173870323	 1.9562123995	 0.8500246854	 0.095287
+H	 3.268391317	 0.8491308794	 0.0035257094	 0.077881
+H	 2.0434958197	-1.7572895276	-0.3539019088	 0.119156
+H	 1.9899215884	-1.3344710161	 1.4066110253	 0.08555
+H	-1.2150319655	-1.5136618521	 0.6052831243	 0.114539
+H	-1.6250604483	-0.0323319029	-0.3002424792	 0.093729
+H	-0.0597927011	-1.5090696787	-3.2662749129	 0.120043
+H	-0.7498713535	 0.0371039219	-2.6444492051	 0.076768
+H	 0.7972913424	 1.4663879943	-1.34559846	 0.061381
+19
+0 166	3.0703639	1.7855192	1.4343673	0.3052	74.81	-0.23508	0.09804	0.33312	954.2031	0.159816	-422.49987	-422.493177	-422.492232	-422.530501	28.095
+C	 1.2303882489	 0.5288717246	-0.8141620346	-0.308687
+C	 1.7864391636	 1.0959409345	 0.5513228233	-0.120942
+C	 0.3140450593	 1.2605404137	 1.0059858626	-0.297084
+C	 0.414637597	-0.1445097872	 0.3055103552	 0.420851
+O	-0.5420061573	-1.14289958	 0.2923466428	-0.308161
+C	-0.6974216201	-1.5897127431	 1.6495727004	-0.112709
+C	 0.6392465898	-1.8603868209	 2.3672448885	-0.090997
+O	 1.516211688	-0.7297153605	 2.3959617209	-0.278479
+C	 1.733600608	-0.3727820951	 1.0474184496	 0.107455
+H	 0.7119368043	 1.2533482147	-1.4446767686	 0.104056
+H	 1.8996343952	-0.1131697014	-1.3929943792	 0.099759
+H	 2.5966438892	 1.8117985398	 0.6637801109	 0.086657
+H	 0.1421253766	 1.2711095896	 2.0807272264	 0.110123
+H	-0.2760153939	 2.0154693294	 0.4819272265	 0.091238
+H	-1.272358064	-0.8426847459	 2.2150778498	 0.107926
+H	-1.2783885911	-2.515096656	 1.6078137301	 0.113218
+H	 0.4373922406	-2.1323397217	 3.4072602103	 0.113269
+H	 1.1461952464	-2.7082966824	 1.8787622577	 0.0989
+H	 2.4500514395	-1.0610277821	 0.5766505173	 0.063608
+19
+0 167	3.170372	1.7024608	1.4020194	1.6932	74.53	-0.25554	0.08882	0.34436	965.1908	0.160341	-422.501471	-422.494851	-422.493907	-422.532073	27.862
+C	 1.2543581843	 0.3828246137	-0.9486522496	-0.293947
+C	 1.2842763939	 1.5157039241	 0.1498415798	-0.102474
+C	-0.263876906	 1.4398313743	 0.1596142119	-0.301163
+C	 0.2676514649	-0.0395207477	 0.1570785176	 0.442982
+O	-0.4568964108	-1.2025708624	 0.3366430052	-0.302421
+C	-0.898059963	-1.2390958277	 1.6973122909	-0.004226
+O	 0.1194748004	-1.0530367133	 2.6419826868	-0.242484
+C	 0.7311390737	 0.2516028092	 2.5910383763	-0.162844
+C	 1.3360332358	 0.3565258666	 1.1991288679	 0.000592
+H	 0.8357742019	 0.6660377606	-1.9176078983	 0.09676
+H	 2.1584384908	-0.2220351873	-1.0520067647	 0.100363
+H	 1.8921266636	 2.4169803516	 0.118671923	 0.083692
+H	-0.7798294929	 1.8125334172	 1.0439691831	 0.095006
+H	-0.770003999	 1.7646585037	-0.7524361695	 0.096118
+H	-1.6873772939	-0.4794256187	 1.8333438589	 0.085227
+H	-1.3011488631	-2.2396161953	 1.8589519879	 0.121192
+H	-0.0164641787	 1.0249628361	 2.8116845493	 0.100115
+H	 1.4742805981	 0.2594932738	 3.3915406607	 0.111764
+H	 2.2437280099	-0.2521835986	 1.1446716727	 0.07575
+19
+0 168	3.0437946	1.7214018	1.3889511	1.9742	74.6	-0.23283	0.07581	0.30864	972.5697	0.15906	-422.492044	-422.485139	-422.484195	-422.522891	28.67
+C	-0.1368413048	 1.3803957045	 0.1991665691	-0.271715
+C	 0.1335046171	-0.1277062132	 0.0853815046	-0.025195
+O	 1.5374561558	 0.1792028484	-0.3366144416	-0.369519
+C	 1.2606509408	 1.0713387143	 0.816327672	 0.43111
+C	 2.1727765769	 1.9646525717	 1.592927288	-0.360431
+C	 1.3773896227	 2.2267090233	 2.9057310322	-0.217168
+C	 0.7848100966	 0.9474582421	 3.5401616201	-0.068904
+O	-0.0771029225	 0.1981349494	 2.6720452654	-0.265975
+C	 0.6765065962	-0.1434628377	 1.5383685001	 0.107151
+H	-0.1087191663	 1.9267294672	-0.744263516	 0.102348
+H	-0.9332015529	 1.7016692138	 0.8708494805	 0.112204
+H	-0.3880051054	-0.8974523127	-0.4823057849	 0.095022
+H	 3.1086755887	 1.4362360121	 1.8110361575	 0.114952
+H	 2.4208979901	 2.9029341702	 1.0870710918	 0.109156
+H	 2.0244515036	 2.705464931	 3.6483188756	 0.106501
+H	 0.5607864244	 2.9264975334	 2.6958011558	 0.116603
+H	 1.6056397613	 0.2968397115	 3.8853163617	 0.094382
+H	 0.1776932104	 1.209696251	 4.4103108188	 0.113276
+H	 1.3959853972	-0.9490035004	 1.7330214094	 0.0762
+19
+0 169	3.1361357	1.6394279	1.3525534	1.7006	74.72	-0.23408	0.07925	0.31333	984.7998	0.159308	-422.486114	-422.479247	-422.478303	-422.516958	28.573
+C	 2.2799273784	 0.2635519122	 0.7517384386	-0.279244
+C	 1.4260020687	 1.2783815629	-0.0261064208	-0.007349
+O	 0.2085182915	 0.6689691379	 0.5982500224	-0.365037
+C	 1.0473531591	-0.4630617601	 0.1330057971	 0.444738
+C	 0.7196653573	-1.9189012943	 0.07809515	-0.364114
+C	 1.7572035353	-2.503086913	-0.92274615	-0.069129
+O	 1.8097212347	-1.8134478834	-2.1637124526	-0.249992
+C	 2.2572401223	-0.4549861484	-2.0765981995	-0.146608
+C	 1.2466509629	 0.273915956	-1.2025039072	 0.003813
+H	 3.2824283092	 0.0274047247	 0.3906185617	 0.097086
+H	 2.2403374689	 0.3718829209	 1.8360404947	 0.107925
+H	 1.472646076	 2.367414198	-0.0338694133	 0.094037
+H	 0.7962390648	-2.4320169201	 1.0425749906	 0.106236
+H	-0.2934809764	-2.0568148017	-0.3141625403	 0.122608
+H	 2.752688714	-2.5054631373	-0.4490863499	 0.093897
+H	 1.5017310961	-3.5365782953	-1.1695326661	 0.116089
+H	 3.2818845772	-0.4153343163	-1.679757578	 0.094651
+H	 2.27865587	-0.086555436	-3.105346912	 0.111434
+H	 0.30107132	 0.4254029033	-1.7281152654	 0.08896
+19
+0 170	3.1080736	1.6570161	1.359484	1.7324	74.94	-0.23692	0.07555	0.31247	983.6482	0.159194	-422.484408	-422.477506	-422.476562	-422.515302	28.611
+C	 2.2438461424	 0.2336841291	 0.7748449824	-0.269381
+C	 1.4289947965	 1.2781667165	-0.008940592	-0.0107
+O	 0.1810637817	 0.683156134	 0.5760266478	-0.365493
+C	 1.0130876558	-0.4542770273	 0.1231448538	 0.437368
+C	 0.6785474466	-1.9136968263	 0.0359355236	-0.228785
+O	 1.6925142	-2.4827489121	-0.7971071683	-0.255917
+C	 1.8081108747	-1.9022696065	-2.0953651147	-0.054663
+C	 2.2821799782	-0.4288181475	-2.072113649	-0.280119
+C	 1.2600597306	 0.2887546784	-1.200986521	 0.007957
+H	 3.243424162	-0.0288011936	 0.4272916922	 0.104511
+H	 2.1861057454	 0.3312495133	 1.8594174934	 0.105903
+H	 1.4950158597	 2.3665244891	 0.0010711599	 0.093284
+H	 0.7304074053	-2.4465769802	 0.9890511685	 0.117152
+H	-0.3236309852	-2.0536689833	-0.3998283184	 0.10322
+H	 2.5218964491	-2.5355545538	-2.629167209	 0.112279
+H	 0.8401007585	-1.9643338493	-2.6204504723	 0.09187
+H	 3.2971096817	-0.379735291	-1.6679368904	 0.110636
+H	 2.3156258117	-0.036765744	-3.0944885231	 0.099186
+H	 0.3235664954	 0.4724390546	-1.7362381633	 0.081693
+19
+0 171	2.7454938	1.9964163	1.755659	0.3656	72.84	-0.23338	0.07601	0.30939	877.6423	0.160691	-422.529004	-422.522633	-422.521689	-422.559226	27.235
+C	 1.6290325892	-0.0352207458	-0.4624626971	-0.243324
+C	 0.1175038919	-0.3754164315	-0.4611444162	 0.095436
+C	-0.4466893022	-0.9877931444	 0.8320871489	-0.233113
+C	-0.1072635016	-0.210645562	 2.1152859424	 0.095436
+C	-0.409376375	 1.3089053283	 2.1031719993	-0.243324
+C	 1.043804683	 1.3947249975	 1.5913707891	 0.071303
+O	 1.3156704193	 0.0905060727	 2.1780874696	-0.289924
+C	 1.1214489765	 1.3330229912	 0.0388444689	 0.071303
+O	-0.1847857175	 1.046673066	-0.5363844134	-0.289923
+H	 2.2986697166	-0.6033724675	 0.1777211018	 0.1232
+H	 2.0119119043	 0.0301702526	-1.4822525854	 0.10188
+H	-0.2701379488	-0.9114605874	-1.3334066409	 0.076849
+H	-1.538719731	-1.0582777483	 0.7445229646	 0.106675
+H	-0.0676082775	-2.0136330549	 0.9275671452	 0.106675
+H	-0.4342434534	-0.773485998	 2.99548233	 0.076849
+H	-1.2045079359	 1.684075502	 1.464376944	 0.1232
+H	-0.4981752204	 1.6957379319	 3.1196950386	 0.101879
+H	 1.7127621684	 2.1566916125	 2.0013750942	 0.074461
+H	 1.5438744448	 2.2493042312	-0.3832765958	 0.074461
+19
+0 172	2.9319576	1.9308518	1.9061257	1.5948	72.38	-0.25168	0.08255	0.33423	853.2545	0.16192	-422.542931	-422.536966	-422.536022	-422.572804	26.171
+C	-0.2020215105	 1.423642635	-0.4065031844	-0.208224
+C	-0.1092218662	-0.1011108071	-0.078127907	-0.056178
+C	 1.433987339	 0.0898503712	-0.2133287571	-0.222488
+C	 1.1592742484	 1.5078542438	 0.3519639711	-0.066638
+C	 0.8420535921	 1.3569753589	 1.8851228056	 0.201426
+O	 1.5153885682	 0.2322037794	 2.4628267593	-0.274188
+C	 0.615169816	-0.8784792364	 2.2920123734	-0.103448
+C	-0.5020981631	-0.2619929589	 1.431486991	 0.052168
+O	-0.5270504368	 1.0473525472	 2.0285105427	-0.24538
+H	-0.064741656	 1.5992812471	-1.4755580943	 0.094127
+H	-1.0513897383	 1.9924987102	-0.0323126871	 0.109368
+H	-0.6153573226	-0.831784874	-0.7124735506	 0.062992
+H	 2.1193738404	-0.5563687727	 0.3317275157	 0.113573
+H	 1.730021243	 0.1279914694	-1.2649086846	 0.092002
+H	 1.8576716851	 2.321906191	 0.1494887069	 0.061447
+H	 1.0780933822	 2.2478333117	 2.4696692183	 0.090011
+H	 1.1365423294	-1.7157464586	 1.8186923423	 0.105814
+H	 0.2321270464	-1.1940502446	 3.2690499019	 0.107288
+H	-1.4826080269	-0.7198398025	 1.5651821871	 0.086327
+19
+0 173	2.8997339	1.9363919	1.9153463	2.693	72.42	-0.23516	0.07394	0.30910000000000004	852.6036	0.161708	-422.532891	-422.526883	-422.525939	-422.562778	26.342
+C	-0.0468339497	 1.7209990367	 0.9853496782	-0.244403
+C	 0.0452556446	 0.1770772951	 1.0880836677	 0.071449
+O	 1.4755666571	 0.3154038653	 0.8277850604	-0.266832
+C	 1.1287160747	 1.4686290451	 0.0093416663	 0.058844
+C	 0.6270806635	 0.9087028892	-1.3803989834	 0.093195
+C	-0.845888375	 0.5036776294	-1.2428633682	-0.23493
+C	-0.5840618992	-0.5548481218	-0.1502455166	-0.07428
+C	 0.5307009252	-1.3436647121	-0.8751153804	-0.058289
+O	 1.254924895	-0.3488342588	-1.6338731417	-0.262708
+H	-0.9598023004	 2.2219113455	 0.6652942362	 0.099444
+H	 0.3240594109	 2.1732183328	 1.9057981558	 0.113299
+H	-0.1541530985	-0.3230593798	 2.0384289268	 0.078901
+H	 1.9505874066	 2.1825291076	-0.0735188964	 0.080565
+H	 0.8643983699	 1.5815141583	-2.2071762578	 0.072882
+H	-1.5352932026	 1.2979723792	-0.9647643949	 0.100329
+H	-1.2026102915	 0.0490761032	-2.1715981334	 0.102204
+H	-1.4456500519	-1.1687222546	 0.1193362497	 0.068799
+H	 1.2197778723	-1.8471463908	-0.19373945	 0.113518
+H	 0.101860399	-2.0777380696	-1.5695412784	 0.088012
+19
+0 174	2.908204	1.9453102	1.912858	0.2752	72.36	-0.2265	0.08138	0.30788	854.0065	0.161427	-422.547061	-422.54094	-422.539996	-422.577067	26.582
+C	 0.6067572121	 0.8944719376	-0.6717171784	-0.22445
+C	 0.4989368821	 1.7855044653	 0.5879815746	 0.057611
+O	-0.9252472054	 1.4561921859	 0.6488990895	-0.290894
+C	-0.5475354719	 0.1709394823	 0.0607530744	 0.057611
+C	 0.0394814325	-0.7083200152	 1.2059468996	 0.0609
+C	-0.6033858853	-0.3430453429	 2.5655073774	-0.204069
+C	 0.2157580443	 0.9207918017	 2.978207702	-0.20407
+C	 1.1919410244	 1.0697712151	 1.7865781824	 0.060901
+O	 1.4018697183	-0.2958224575	 1.3952203484	-0.264494
+H	 0.2400541735	 1.420085236	-1.5534990568	 0.106146
+H	 1.5329514103	 0.3592607044	-0.8710663684	 0.116507
+H	 0.6773480348	 2.8624507289	 0.5446130498	 0.077482
+H	-1.3696801308	-0.2958394494	-0.4867141573	 0.077482
+H	 0.0371675018	-1.7717292912	 0.9577522445	 0.077233
+H	-1.6711002543	-0.1348811077	 2.4836761988	 0.1117
+H	-0.4566739332	-1.1609843349	 3.2747085817	 0.097735
+H	-0.4184380361	 1.7978256711	 3.1147738002	 0.111701
+H	 0.7795704275	 0.7464155503	 3.8975671105	 0.097735
+H	 2.1626197654	 1.5075588203	 2.0285895271	 0.077233
+19
+0 175	3.4926963	1.6800961	1.4759372	1.2932	73.68	-0.25782	0.0934	0.35122	939.6743	0.161001	-422.554181	-422.547699	-422.546755	-422.584841	26.743
+C	 1.5674657423	-0.1220315737	-0.2865203709	-0.237651
+C	 0.0331589575	-0.2252453215	-0.0131360501	-0.054531
+C	 0.1691992392	 1.1543177258	 0.6883363554	-0.223599
+C	 1.5638317251	 0.6043704581	 1.0961639147	-0.054532
+C	 1.2002107382	-0.5710335143	 2.0137150607	 0.10312
+O	 0.5813788085	-0.1906063538	 3.2359215355	-0.268359
+C	-0.5980967841	-0.9576069528	 3.3265466957	 0.011865
+O	-1.1003542448	-1.1020880039	 2.017148706	-0.268358
+C	 0.0386709518	-1.200579759	 1.1719318788	 0.103118
+H	 2.1408969727	-1.0504997297	-0.3833955016	 0.092131
+H	 1.804005343	 0.5488356965	-1.1146338133	 0.104541
+H	-0.6900204192	-0.4093616808	-0.8069022884	 0.06875
+H	 0.2470851564	 1.9722150026	-0.030818777	 0.096239
+H	-0.5386094007	 1.4020591617	 1.479729899	 0.111658
+H	 2.3780324362	 1.2535060148	 1.4165578805	 0.06875
+H	 2.0421661779	-1.247464624	 2.2031273734	 0.072418
+H	-0.3832416817	-1.9473718035	 3.7702932149	 0.083186
+H	-1.3307995531	-0.4220793757	 3.9370684746	 0.118835
+H	 0.2070489249	-2.242084677	 0.8731997725	 0.072419
+19
+0 176	3.5721247	1.5866727	1.401182	2.4718	73.03	-0.23933	0.08276	0.32209	965.2917	0.160991	-422.543194	-422.536626	-422.535682	-422.573987	26.941
+C	 1.2019943891	-0.0363866738	-0.4898061344	-0.233392
+C	 0.9480102823	 1.399450849	 0.0234945224	 0.0549
+O	-0.4451745641	 1.0191499065	 0.2652019483	-0.295001
+C	-0.2593501998	 0.2006892034	-0.9346364813	 0.054902
+C	-0.1357888674	 1.2715966885	-2.0405890797	-0.029876
+C	-1.3831107824	 2.1381760771	-2.2873058646	-0.10076
+O	-0.9533222857	 3.4904193694	-2.1864397144	-0.249553
+C	 0.0333323933	 3.5445778911	-1.1631926533	-0.100759
+C	 0.8351335779	 2.235632635	-1.270066572	-0.029876
+H	 1.9706677497	-0.2037921149	-1.2489784692	 0.095943
+H	 1.2740546324	-0.7592378425	 0.3237696578	 0.112314
+H	 1.4467480229	 1.8266393404	 0.8936586283	 0.082931
+H	-0.9943199803	-0.5970454077	-1.0435148134	 0.082931
+H	 0.2848560056	 0.8744503325	-2.9666991875	 0.076685
+H	-1.8166978854	 2.0062027464	-3.2821836277	 0.101656
+H	-2.1531807164	 1.9193472382	-1.532515458	 0.099308
+H	 0.6351597647	 4.4406912723	-1.3363413164	 0.101656
+H	-0.4398091487	 3.6205609293	-0.1727550425	 0.09931
+H	 1.7976188923	 2.3765023797	-1.7661750026	 0.076683
+19
+0 177	3.3231396	1.717968	1.5263995	2.1474	73.13	-0.22807	0.08138	0.30945	930.7096	0.160769	-422.546683	-422.540078	-422.539134	-422.577481	27.109
+C	 0.1674420656	 1.6616555563	-1.3221236093	-0.242455
+C	 0.5046369119	 1.999957127	 0.149075007	 0.06555
+O	 0.2871353241	 0.59041013	 0.4781978491	-0.297745
+C	-0.7458540403	 0.676050154	-0.5571596659	 0.040547
+C	-1.7911500377	 1.611100279	 0.093799012	 0.131542
+O	-2.5042738365	 1.0513695987	 1.1730778527	-0.27529
+C	-1.8000938434	 1.2905896632	 2.3930836364	-0.071046
+C	-1.0217952512	 2.6047212358	 2.1885003329	-0.243297
+C	-0.785309381	 2.6685597469	 0.6702848292	-0.056995
+H	-0.2831015005	 2.4294700961	-1.9570902487	 0.096599
+H	 0.9874961055	 1.1515131274	-1.8281694659	 0.114438
+H	 1.4701616677	 2.3862004527	 0.4770305785	 0.079948
+H	-1.0730472749	-0.2891007567	-0.9417673287	 0.08586
+H	-2.5164359474	 1.9920467664	-0.6316004594	 0.078623
+H	-2.5459434934	 1.3533501211	 3.1918782165	 0.096394
+H	-1.1161865954	 0.4633924505	 2.6082298484	 0.112772
+H	-1.6236744228	 3.4606992466	 2.5069703062	 0.104428
+H	-0.0908627967	 2.6186943874	 2.7625295748	 0.10435
+H	-0.9171506336	 3.6738775274	 0.2653360943	 0.075776
+19
+0 178	3.8165143	1.4311487	1.2155133	1.2292	75.05	-0.25045	0.0939	0.34435	1050.9345	0.159033	-422.506466	-422.49924	-422.498296	-422.538543	28.344
+C	 1.6161567064	 0.3548764309	-0.6398247616	-0.232275
+C	 0.4020692672	-0.3793491124	-1.2904312676	-0.116137
+C	 0.2984620036	-1.1960124956	 0.0331057653	-0.236559
+C	 0.5358466165	 0.2762466458	 0.4827372267	-0.124176
+C	-0.5069791104	 0.6750916411	-0.6061592763	 0.48111
+C	-2.0201469806	 0.4452462388	-0.3763587031	-0.196167
+O	-2.6514053513	 1.574002907	-0.9624441176	-0.239797
+C	-1.6893093664	 2.5949666931	-0.901062261	 0.001221
+O	-0.4444248951	 1.9879877949	-1.1426857807	-0.307119
+H	 2.5094449372	-0.2546283844	-0.4812419651	 0.089045
+H	 1.8573377093	 1.3446826382	-1.0242297868	 0.116909
+H	 0.3168186506	-0.753212612	-2.3116898061	 0.074793
+H	-0.6609983832	-1.6588903789	 0.2767909815	 0.096562
+H	 1.1243608236	-1.8839465556	 0.2249168859	 0.098705
+H	 0.6055313641	 0.6538771269	 1.5042845883	 0.071025
+H	-2.4040512547	-0.4509580465	-0.8689807535	 0.122723
+H	-2.2483804351	 0.3828447656	 0.6986873087	 0.101195
+H	-1.8934567297	 3.3312239736	-1.6834208996	 0.119348
+H	-1.697141422	 3.0824247895	 0.0923136727	 0.079594
+19
+0 179	3.778144	1.4063109	1.1896647	3.3446	75.33	-0.23124	0.07974	0.31098000000000003	1072.5248	0.157995	-422.490125	-422.48272	-422.481775	-422.522469	29.124
+C	 1.1392525111	 0.439847319	-1.2380601844	-0.239898
+C	 1.8241587865	 1.0132922541	 0.0265785195	-0.023915
+O	 0.47865363	 1.1976177099	 0.6170225243	-0.312254
+C	 0.4553406495	-0.1556094197	 0.0155535082	-0.029598
+C	 1.8615014272	-0.4182209578	 0.6422134556	 0.510906
+C	 2.794175224	-1.5322302728	 0.123854557	-0.333221
+C	 3.6106540724	-1.9173942034	 1.3675605422	-0.227069
+C	 2.6110315858	-1.6129139876	 2.483389793	-0.077758
+O	 1.9139487328	-0.45203003	 2.0487397007	-0.300363
+H	 0.5229190092	 1.1676788312	-1.764336234	 0.11324
+H	 1.6988878484	-0.2130397225	-1.9113228516	 0.096252
+H	 2.5350416872	 1.8344807711	 0.1272698911	 0.091446
+H	-0.4673479773	-0.7313144658	 0.1019053305	 0.091086
+H	 2.2001219106	-2.3845962903	-0.2243265822	 0.111891
+H	 3.4189465283	-1.2065963257	-0.7096783909	 0.113817
+H	 3.9491695098	-2.9561397168	 1.3601712794	 0.103411
+H	 4.4888834887	-1.2713166088	 1.4660431016	 0.110941
+H	 1.9128140121	-2.4532719343	 2.6265086533	 0.090623
+H	 3.0727429037	-1.3853008197	 3.4480227669	 0.110463
+19
+0 180	3.7764413	1.3601886	1.1553663	2.4791	74.53	-0.24037	0.0774	0.31777	1082.7784	0.158263	-422.487674	-422.480284	-422.47934	-422.519967	28.933
+C	 1.1332729894	 0.4014693184	-1.2533280353	-0.235713
+C	 1.7242722285	 1.0435871594	 0.0225218572	-0.009677
+O	 0.3532391179	 1.0894668046	 0.5918717864	-0.320316
+C	 0.5018099961	-0.2620839901	-0.0065575948	-0.011851
+C	 1.8982541319	-0.3608732424	 0.6664223827	 0.373596
+C	 2.9847678904	-1.3523943163	 0.2019568275	-0.340655
+C	 3.3445598293	-2.0868665804	 1.5032616734	-0.083259
+O	 3.1437512779	-1.1326071623	 2.5313048273	-0.245237
+C	 1.9437683474	-0.4440197382	 2.2074708521	-0.155267
+H	 0.4560887499	 1.0462395766	-1.814122429	 0.110293
+H	 1.7871575158	-0.1930130103	-1.8944315874	 0.101442
+H	 2.345623711	 1.9338621555	 0.1339130387	 0.094635
+H	-0.3517365112	-0.9384091531	 0.0681209329	 0.092414
+H	 2.6441417473	-2.0331262736	-0.5823154575	 0.10606
+H	 3.8573687139	-0.8119167554	-0.1786532728	 0.113804
+H	 2.687031547	-2.9612648721	 1.6477069308	 0.086703
+H	 4.382170914	-2.4263860462	 1.5508303732	 0.109633
+H	 1.0677239728	-0.9959011067	 2.585581868	 0.091411
+H	 1.9661037606	 0.5308725227	 2.6965857466	 0.121984
+19
+0 181	2.2680149	2.079258	1.3568829	2.5609	75.86	-0.23475	-0.00626	0.22849	989.3817	0.159138	-422.52128	-422.513838	-422.512893	-422.552921	29.374
+C	-0.1710720665	 0.1580957708	-0.5247441223	-0.313688
+C	 0.9941587693	 0.8805790239	 0.1806558108	 0.117269
+C	 0.7225932601	 1.5603654663	 1.5280873896	-0.102242
+O	 0.4821752623	 0.6849401729	 2.6041361966	-0.223951
+C	-0.7418815984	-0.0250397688	 2.6375357451	-0.135872
+C	-0.678490225	-1.4556592899	 2.1356051987	-0.059494
+C	-0.1217212415	-1.9295769028	 1.0185683185	-0.050393
+C	 0.5465582705	-1.1379082659	-0.0750962897	 0.084759
+O	 1.7063384629	-0.363215376	 0.3478296801	-0.28111
+H	-1.1794318339	 0.3237201821	-0.143808546	 0.108432
+H	-0.1706428363	 0.295740448	-1.606861258	 0.111055
+H	 1.5464671339	 1.585750242	-0.4547303997	 0.0741
+H	 1.6125231572	 2.1245991668	 1.8260954929	 0.114818
+H	-0.1042598425	 2.2823478455	 1.400666911	 0.084521
+H	-1.0384308271	-0.0536316678	 3.6924345939	 0.111361
+H	-1.5308533574	 0.5367449316	 2.1097355797	 0.100101
+H	-1.1530601311	-2.1759153377	 2.7994546017	 0.094602
+H	-0.1670822746	-3.0038772912	 0.8540033622	 0.089572
+H	 0.8275100781	-1.8109123097	-0.8916545052	 0.07616
+19
+0 182	3.8361645	1.2652665	1.2597146	2.5172	73.69	-0.23736	0.06548	0.30284	1073.7251	0.158013	-422.521034	-422.513464	-422.51252	-422.553308	29.459
+C	-3.1307365633	 1.5679066513	 0.0815311427	-0.326274
+C	-2.3468266346	 2.5078783165	-0.8206223588	-0.073993
+C	-1.0162565393	 2.0108109431	-1.3556050178	-0.301332
+C	-0.2968932955	 1.4652387101	-0.1026879047	 0.338273
+C	 1.2428998157	 1.4522066567	-0.0789435329	-0.132391
+O	 1.2792061855	 0.0122475422	-0.1378934319	-0.274159
+C	-0.1487505496	-0.0753007716	 0.0300634811	-0.116357
+O	-0.8761701932	 2.1240693421	 1.013889121	-0.290987
+C	-2.1651599257	 2.5645704457	 0.668212924	 0.107755
+H	-4.1887854639	 1.7743576922	 0.2028505151	 0.115396
+H	-2.8787787979	 0.5125678943	 0.1036967407	 0.122112
+H	-2.8758699358	 3.2792757833	-1.3669014049	 0.093829
+H	-1.1002302882	 1.2483584284	-2.135459311	 0.114097
+H	-0.4532303004	 2.8528944119	-1.7742980348	 0.1096
+H	 1.7518455124	 1.9153014376	-0.9326367628	 0.10038
+H	 1.6563198568	 1.8457859148	 0.8578852971	 0.11052
+H	-0.6174703724	-0.6956453525	-0.7440203755	 0.095888
+H	-0.4310397596	-0.4433919347	 1.0246143326	 0.104407
+H	-2.5029386209	 3.3743817786	 1.3030780106	 0.103235
+19
+0 183	3.7160695	1.302738	1.2914527	3.3216	74.14	-0.24114	0.08208	0.32322	1063.3022	0.157834	-422.533447	-422.525837	-422.524893	-422.565812	29.47
+C	-0.1591401368	 1.553442099	 0.0084534082	-0.067843
+C	-0.2138686678	 0.015835538	-0.014575224	-0.354055
+C	 1.3313224297	 0.0907772221	-0.0330895088	 0.444171
+C	 2.1016586119	-0.4812269297	 1.1809949965	-0.29998
+C	 3.494552307	-0.7642933194	 0.6609775262	 0.046227
+O	 4.0642137629	 0.3319143642	-0.0641829543	-0.249374
+C	 3.4758250226	-0.7414813259	-0.8082700735	 0.046228
+C	 2.0702440087	-0.4429615898	-1.2835881162	-0.299975
+O	 1.2805165428	 1.5440174098	-0.0098805301	-0.308164
+H	-0.5785359351	 2.0592412732	-0.8699862979	 0.101029
+H	-0.5560194137	 2.0317788893	 0.9123655726	 0.101033
+H	-0.6419135376	-0.4541137774	 0.8733104787	 0.107601
+H	-0.6646039714	-0.4267172488	-0.9053043708	 0.107598
+H	 2.0856576954	 0.2314155826	 2.0100779616	 0.12176
+H	 1.6416736526	-1.417257794	 1.5237012294	 0.099783
+H	 4.1975369072	-1.3626172158	 1.2355758774	 0.091209
+H	 4.1637033506	-1.3214030313	-1.4188895661	 0.091209
+H	 2.0334078595	 0.2950693168	-2.0894713319	 0.121759
+H	 1.6013081017	-1.3680848331	-1.6433550571	 0.099782
+19
+0 184	3.6829818	1.2694474	1.2668468	2.8317	73.44	-0.24321	0.07454	0.31775	1065.7895	0.158345	-422.530093	-422.522547	-422.521603	-422.562573	29.046
+C	-0.3751356765	 1.0219710785	-0.001732619	-0.142792
+O	 0.1146502166	-0.3309506886	 0.0154876618	-0.274291
+C	 1.4857888704	 0.1194789728	-0.0094130045	-0.103969
+C	 1.0534035578	 1.6058558843	-0.0295464895	 0.308556
+C	 1.4850561227	 2.4153532793	-1.2720111839	-0.325759
+C	 2.7276624043	 3.1486011138	-0.8111927026	 0.051313
+O	 3.6367846815	 2.3153558416	-0.0738551234	-0.257329
+C	 2.7459262403	 3.1737838736	 0.6568554391	 0.051311
+C	 1.5154743789	 2.457305075	 1.1733071984	-0.325752
+H	-0.9864808167	 1.2294524563	-0.8907240692	 0.094163
+H	-0.964306806	 1.2602020627	 0.8944914212	 0.094166
+H	 2.0413908623	-0.1982779741	 0.8810685679	 0.100717
+H	 2.0190606926	-0.2288930476	-0.9020954305	 0.100711
+H	 1.65447227	 1.7782236602	-2.1456516446	 0.114447
+H	 0.7171017887	 3.1516975542	-1.5453883268	 0.103989
+H	 3.1920339224	 3.9170097653	-1.4234801502	 0.096041
+H	 3.2250529193	 3.9625406828	 1.2306927729	 0.09604
+H	 1.7068249836	 1.8504458084	 2.0638066647	 0.114449
+H	 0.7542418279	 3.2029239215	 1.4402710682	 0.103988
+19
+0 185	3.7813011	1.3074562	1.2301078	1.2389	74.81	-0.24695	0.09207	0.33902	1086.3201	0.1582	-422.526123	-422.518467	-422.517523	-422.558785	29.338
+C	 1.2549665992	 1.1978624486	 0.1306948437	-0.284468
+C	 0.1830625114	 0.7961904323	-0.8391729168	-0.042258
+C	 0.4002560906	-0.659831188	-1.2687125811	-0.314614
+C	 1.8090455084	-0.2621440597	-1.8098969451	 0.419449
+C	 2.0396228127	-0.4489212047	-3.3145807792	-0.178181
+O	 3.4507160286	-0.5541821656	-3.4149370332	-0.239372
+C	 3.8234160095	-1.2875583596	-2.2759443038	 0.014922
+O	 2.9264021854	-0.9401208122	-1.2369970906	-0.306349
+C	 1.5825163287	 1.1765478057	-1.3366062799	-0.09357
+H	 1.1543073489	 2.1890747698	 0.560981766	 0.110923
+H	 1.6987881214	 0.462112636	 0.7960522562	 0.121305
+H	-0.7411664919	 1.3488738107	-0.9467112405	 0.087154
+H	 0.4015403328	-1.4042340508	-0.4671442671	 0.106958
+H	-0.2676705698	-0.9967325774	-2.0670752344	 0.101256
+H	 1.5474721355	-1.3691788445	-3.6701029485	 0.091609
+H	 1.7075612306	 0.3944665967	-3.9228801117	 0.121612
+H	 3.7610908134	-2.3741534034	-2.4672820409	 0.084406
+H	 4.8481889169	-1.0143042968	-2.0022976442	 0.115109
+H	 1.9149376678	 2.0625189328	-1.8656106486	 0.084107
+19
+0 186	3.6800244	1.3074072	1.2324778	3.2018	74.71	-0.23123	0.08069	0.31192	1083.0399	0.157623	-422.52204	-422.514341	-422.513397	-422.554623	29.672
+C	 2.0768038792	-0.0837839533	-1.0631822371	-0.338832
+C	 1.2694242253	 1.092993026	-0.5025599672	 0.033363
+O	 0.9412921254	 0.7555603786	 0.8478194643	-0.241682
+C	 0.1136729114	 0.234459969	-0.1933183959	-0.035924
+C	 0.8265869909	-0.9989868835	-0.7990785825	 0.436679
+C	 0.1325574991	-1.5811540334	-2.0367222581	-0.294187
+C	-0.6473589463	-2.7600427804	-1.4383753246	-0.236652
+C	 0.3251162868	-3.2437611109	-0.3569587846	-0.067541
+O	 1.0365963818	-2.0853209554	 0.0834332919	-0.303988
+H	 2.3258780883	-0.0035717939	-2.1246314048	 0.101916
+H	 2.9652757963	-0.3392200135	-0.4830742835	 0.120108
+H	 1.3091830927	 2.1433387799	-0.7639317122	 0.103195
+H	-0.9486332614	 0.4528926895	-0.1419731652	 0.093669
+H	-0.4959986874	-0.8506703881	-2.5529417434	 0.106153
+H	 0.883616652	-1.9410623189	-2.7488528715	 0.107833
+H	-1.5821958446	-2.4130458366	-0.985356389	 0.109491
+H	-0.8933262692	-3.5351658641	-2.1679142669	 0.104768
+H	-0.174917529	-3.6981895333	 0.5045976046	 0.107138
+H	 1.0360015388	-3.9786896778	-0.7630757245	 0.094494
+19
+0 187	3.5835663	1.3015683	1.2206227	1.4764	74.01	-0.2493	0.07812	0.32742	1080.211	0.15803	-422.518533	-422.510807	-422.509862	-422.551256	29.416
+C	 1.8394703887	-0.4290386948	-1.3703081097	-0.352808
+C	 1.6439767659	 0.6182064052	-0.2660221912	 0.038276
+O	 0.3399269727	 1.1887072679	-0.4424136631	-0.252677
+C	 0.4451883374	-0.0643518893	 0.2403960836	-0.023711
+C	 0.5587456964	-1.1635617285	-0.8389478432	 0.334009
+C	-0.665452874	-1.3733960791	-1.7419553918	-0.319725
+C	-1.379686229	-2.5911584006	-1.1040583363	-0.071712
+O	-0.5516184074	-3.0431701911	-0.0276863365	-0.25649
+C	 0.7597469866	-2.564023378	-0.2632420372	-0.148888
+H	 1.8013275036	-0.0429071089	-2.3918852802	 0.111329
+H	 2.7445714192	-1.030146459	-1.2400734621	 0.107944
+H	 2.3840663409	 1.2256165461	 0.2411984987	 0.105659
+H	 0.0206328008	-0.1329721744	 1.2359567277	 0.105297
+H	-1.2889097677	-0.4780211076	-1.7837812939	 0.124921
+H	-0.34716954	-1.6000239985	-2.7644009713	 0.104565
+H	-2.3581784821	-2.3432761685	-0.6817855641	 0.109698
+H	-1.5219249644	-3.398604039	-1.83620734	 0.093898
+H	 1.3032892023	-2.5818744246	 0.6871125619	 0.106397
+H	 1.3030897801	-3.2007763874	-0.9836597913	 0.084018
+19
+0 188	3.9460512	1.2626536	1.180539	1.6183	74.2	-0.23516	0.07474	0.3099	1100.6586	0.157958	-422.515297	-422.507671	-422.506727	-422.548094	29.558
+C	-0.0782319862	 0.2502104417	-0.7815129674	-0.307821
+C	 1.2244799144	-0.1677929965	-0.1782308073	 0.099496
+O	 2.2826819822	-0.08146473	-1.136347455	-0.331805
+C	 2.1035294269	 1.3700621588	-1.2275504546	 0.417231
+C	 1.9470609181	 1.9220602848	-2.6590365183	-0.294767
+C	 3.2149703276	 2.7661072503	-2.8599211025	-0.087772
+O	 3.5599663853	 3.2181886934	-1.555497386	-0.243511
+C	 3.3512730622	 2.1122324878	-0.6975345083	-0.1455
+C	 0.9003314048	 1.2985536478	-0.2855709577	-0.193879
+H	-0.251768111	 0.1030342267	-1.84348181	 0.117042
+H	-0.9516883215	 0.119823808	-0.1494369758	 0.115242
+H	 1.354201845	-0.837745302	 0.6632030084	 0.105063
+H	 1.8485241117	 1.1088417775	-3.3803897547	 0.11901
+H	 1.0516986286	 2.5476026043	-2.7174699925	 0.114446
+H	 4.0289264058	 2.1559951886	-3.2841431277	 0.09515
+H	 3.0731516258	 3.6438756853	-3.4945306537	 0.109728
+H	 4.1964033267	 1.4064112151	-0.7309200617	 0.102553
+H	 3.2425023362	 2.4859653863	 0.3237757458	 0.108196
+H	 0.6545636773	 2.0337279822	 0.4694123389	 0.101897
+19
+0 189	2.6067327	1.9269864	1.4846378	0.096	73.6	-0.2428	0.08259	0.32538999999999996	944.4913	0.159969	-422.536847	-422.529924	-422.52898	-422.567767	28.27
+C	 1.4613908389	-1.307411867	-2.8428202653	-0.29308
+C	 2.3135786984	-0.0263666878	-2.711547186	 0.107397
+C	 2.6811034258	 0.4286990685	-1.3040640323	-0.246324
+C	 1.5799644308	 0.4133526478	-0.261923127	 0.06061
+O	 0.9532224984	-0.8378746928	 0.0564344222	-0.259485
+C	 0.1339666862	 0.2100534994	-0.4824470342	 0.060611
+C	-0.5757112824	-0.0291878835	-1.8007489627	-0.246324
+C	 0.2957641486	-0.3100594445	-3.0192765998	 0.107396
+O	 1.2289149049	 0.7775786637	-3.2405843814	-0.301969
+H	 1.6784874126	-1.8548553316	-3.7616609471	 0.103531
+H	 1.426695623	-1.9835085086	-1.9920361273	 0.132548
+H	 3.1975241979	 0.0308043505	-3.35666957	 0.074998
+H	 3.516325354	-0.1800880286	-0.9303374468	 0.110119
+H	 3.0546573076	 1.458503583	-1.373174162	 0.114055
+H	 1.8434099134	 0.9879568601	 0.6296724447	 0.088373
+H	-0.5233812026	 0.6551990914	 0.2687223091	 0.088373
+H	-1.2871981418	-0.8554288873	-1.6629050305	 0.110119
+H	-1.1758560337	 0.8637230634	-2.0183554586	 0.114055
+H	-0.34201469	-0.466834316	-3.896471425	 0.074998
+19
+0 190	2.8540649	1.8720275	1.479577	1.4339	74.45	-0.23098	0.07667	0.30765	941.739	0.158434	-422.504705	-422.497574	-422.49663	-422.536047	29.126
+C	 0.3990574126	-0.2584508525	 3.6643884023	-0.333963
+C	 0.7958632983	-0.3865226825	 2.2140002237	 0.074899
+O	-0.098631241	-0.9803261173	 1.3264835685	-0.273847
+C	-0.6917581026	-0.1730867581	 0.3106154892	 0.124982
+C	-1.9602844161	 0.5574850496	 0.8298543002	-0.235088
+C	-1.0465271176	 1.7680416931	 1.164673482	 0.124982
+C	-0.047084904	 1.2239243841	 0.109879265	-0.286004
+O	-0.5930226439	 1.724759104	 2.5166654458	-0.273847
+C	 0.5459955544	 0.9806275752	 2.8155203791	 0.0749
+H	-0.6200590673	-0.5465550291	 3.8958598509	 0.129191
+H	 1.1309659646	-0.4647192016	 4.4372331386	 0.112108
+H	 1.8363408419	-0.6285701295	 1.9985048338	 0.090252
+H	-0.7971745546	-0.8194400308	-0.5640885375	 0.07785
+H	-2.6656210795	 0.7830735871	 0.0241401951	 0.096851
+H	-2.4843887844	 0.0932924979	 1.6671748131	 0.108149
+H	-1.453409167	 2.7711604727	 1.0157036166	 0.07785
+H	-0.2994035016	 1.6132844635	-0.8798814047	 0.108615
+H	 1.0236769073	 1.3464817168	 0.2761135995	 0.111865
+H	 1.4294691706	 1.5976326474	 2.977994839	 0.090252
+19
+0 191	2.5263685	2.1603421	2.0728452	0.2938	72.22	-0.24231	0.0856	0.32791	831.6203	0.162407	-422.59399	-422.588109	-422.587165	-422.623751	25.934
+C	-0.3921149874	 1.4701910362	-0.0811113698	-0.215363
+C	 0.1011372066	 0.1321108039	 0.4888363246	 0.078554
+C	 0.8697884906	 0.3634915498	 1.8132536396	-0.23458
+C	 2.0212506152	 1.3630787044	 1.5423147289	 0.078553
+C	 2.9223764439	 0.8435082537	 0.412443285	-0.215362
+C	 1.8739065616	 0.8632038923	-0.707436449	 0.067139
+O	 1.0265152315	-0.2786593869	-0.5288069852	-0.278205
+C	 0.9830468724	 2.1060865204	-0.3227193962	 0.06714
+O	 1.4836401778	 2.5520129226	 0.9439230658	-0.278205
+H	-0.9449216023	 1.2987845629	-1.0089835853	 0.100945
+H	-0.9897704188	 2.0770829844	 0.6013551498	 0.105697
+H	-0.6597932776	-0.6455932466	 0.5792062929	 0.076571
+H	 0.1959896788	 0.7677305726	 2.5760541058	 0.102801
+H	 1.2719585536	-0.5858366076	 2.1824623244	 0.102801
+H	 2.5412157196	 1.657226614	 2.4561625393	 0.076571
+H	 3.7404309199	 1.5472038427	 0.2348972679	 0.100945
+H	 3.3214229194	-0.1619455339	 0.5576832086	 0.105697
+H	 2.2604029291	 0.8569290427	-1.7270633457	 0.07915
+H	 1.009427876	 2.9409025823	-1.0237507115	 0.07915
+19
+0 192	2.5359787	2.1617911	2.060204	2.455	71.63	-0.24623	0.08047	0.3267	832.6427	0.162739	-422.600003	-422.594165	-422.593221	-422.629745	25.752
+C	 1.2534589565	 0.9802866866	-2.2286265167	-0.212984
+C	 1.8316888307	-0.307156096	-1.6236599291	 0.07542
+C	 0.8322968752	-0.9645176155	-0.6392030415	-0.231369
+C	 0.4614278473	 0.0681803775	 0.4544404065	 0.07542
+C	-0.1088582009	 1.353448001	-0.1625731541	-0.212984
+C	 1.1429970355	 1.8146495474	-0.9362920334	-0.100272
+C	 2.3108287445	 1.2032551143	-0.0558189332	 0.199631
+O	 2.9315479923	 0.2239390845	-0.8666570405	-0.258351
+O	 1.6760506157	 0.5678383465	 1.0373952955	-0.258351
+H	 1.9713751109	 1.4036858042	-2.9357931085	 0.10473
+H	 0.2935471104	 0.8509474658	-2.7353522982	 0.095071
+H	 2.2311518309	-1.0201508765	-2.3474084134	 0.076555
+H	-0.0640275835	-1.3087959486	-1.1680409653	 0.094836
+H	 1.3059062384	-1.8318919205	-0.1702517254	 0.114334
+H	-0.1419958881	-0.370108567	 1.2516398026	 0.076555
+H	-0.9763281895	 1.1987892758	-0.8094939554	 0.095071
+H	-0.3831769909	 2.0486350351	 0.6350605216	 0.104729
+H	 1.2217940182	 2.8918797997	-1.078899703	 0.073943
+H	 3.0737120865	 1.8812961857	 0.3247487714	 0.088019
+19
+0 193	2.5297165	2.165604	2.065952	1.9282	71.91	-0.24861	0.08176	0.33037	831.9373	0.162517	-422.597967	-422.592119	-422.591175	-422.627713	25.771
+C	 0.8310164011	-0.066305134	 0.8373783795	-0.218433
+C	-0.2499252161	 0.4076941961	-0.1579120474	-0.032625
+C	 0.617618751	 1.2775902261	-1.0929872774	-0.218433
+C	 1.7175412864	 0.26361085	-1.4470890921	 0.064477
+O	 1.1728788804	-0.644342648	-2.4117795635	-0.257313
+C	 0.448198548	-1.5436973145	-1.5936269808	 0.183296
+C	-0.7608855244	-0.8219818825	-0.9575109334	-0.242738
+O	 1.374369778	-1.9132515847	-0.5891272906	-0.257313
+C	 1.8610142747	-0.6399318351	-0.1492498325	 0.064477
+H	 1.2328673517	 0.7785805948	 1.4077615676	 0.09218
+H	 0.4992366173	-0.835863122	 1.5382995134	 0.104569
+H	-1.0769520748	 0.9479337604	 0.3096219421	 0.06359
+H	 0.1085951886	 1.6242415789	-1.9953816777	 0.104569
+H	 1.0155394015	 2.1472270604	-0.5581558781	 0.09218
+H	 2.6464620773	 0.675510151	-1.8416884255	 0.081272
+H	 0.1808337476	-2.4261724458	-2.1784371563	 0.088416
+H	-1.4517535396	-0.5111326489	-1.7486386297	 0.103279
+H	-1.2916573486	-1.5193602673	-0.300431073	 0.103279
+H	 2.8754056996	-0.7662933947	 0.2293086152	 0.081271
+19
+0 194	2.5193364	2.1958226	2.0873727	2.0522	71.95	-0.24676	0.08292	0.32968	828.18	0.162655	-422.593	-422.587184	-422.58624	-422.622698	25.791
+C	 0.3391574656	 1.7192810946	-1.139464177	-0.224519
+C	-0.7768397482	 0.6671405375	-1.2357702044	 0.108425
+C	-1.3679617354	 1.0140627242	-2.6136841613	-0.219506
+C	-0.0746673821	 0.9113488759	-3.4374752877	 0.08466
+O	 0.1618511014	-0.5014590089	-3.579831767	-0.26478
+C	 0.7249242814	-0.848863541	-2.3295676947	 0.198914
+C	 1.8896937786	 0.1420866792	-2.2347366628	-0.230242
+C	 1.0764062286	 1.4305399514	-2.4683901379	-0.075401
+O	-0.2094872278	-0.6597191851	-1.2725519622	-0.2956
+H	-0.0941663709	 2.7240616819	-1.1032766995	 0.095357
+H	 0.9799634143	 1.590419933	-0.2643739614	 0.101072
+H	-1.4865406505	 0.6646607571	-0.4069747814	 0.075657
+H	-2.1139859424	 0.3022766089	-2.9693472271	 0.111858
+H	-1.797458047	 2.0211803755	-2.6042549014	 0.09232
+H	-0.0936540517	 1.362483202	-4.4297185333	 0.077101
+H	 0.9745662911	-1.9103461168	-2.3357551353	 0.087297
+H	 2.4067400597	 0.128627471	-1.2734107363	 0.10198
+H	 2.604994085	-0.0660712052	-3.0344174625	 0.104662
+H	 1.6483571805	 2.2668459846	-2.8691087166	 0.070744
+19
+0 195	2.5987554	2.1031792	1.6317985	1.5227	73.66	-0.24284	0.07933	0.32217	895.3644	0.160247	-422.52519	-422.518569	-422.517625	-422.555619	28.154
+C	 3.4129410442	-1.5364869192	-2.8944441104	-0.391308
+C	 2.3658713579	-0.8569128775	-1.9981482248	-0.080091
+C	 2.1558725126	-0.8238847974	-0.4775205655	-0.264339
+C	 3.2585733982	 0.1902197654	-0.0481715526	 0.12773
+C	 4.4398307512	-0.3166007492	-0.8755323018	-0.27044
+C	 3.729605028	-0.2437918104	-2.2279067213	 0.411941
+O	 3.7753617961	 1.0676737747	-2.7241562874	-0.305605
+C	 2.9136567572	 1.8201679848	-1.8642299458	 0.028448
+O	 3.034873995	 1.5488294411	-0.4768824846	-0.294209
+H	 3.9772445302	-2.4076462107	-2.5727930241	 0.116008
+H	 3.1355559815	-1.5494790361	-3.9438017082	 0.125658
+H	 1.5506217329	-0.4550195486	-2.5893414812	 0.100452
+H	 1.1487299351	-0.4768827049	-0.2323552685	 0.108374
+H	 2.3130418143	-1.7770327196	 0.0415706391	 0.103085
+H	 3.4024587992	 0.2624562425	 1.033102068	 0.073462
+H	 5.3084519652	 0.3416183819	-0.8407685407	 0.111951
+H	 4.732798804	-1.3328176911	-0.5959834112	 0.094158
+H	 3.1799428521	 2.8719515103	-1.9932325176	 0.117232
+H	 1.8733250351	 1.6548694439	-2.1807730816	 0.087494
+19
+0 196	2.692172	2.0336339	1.6008178	0.9164	74.16	-0.23661	0.08696	0.32356999999999997	906.7632	0.159859	-422.532465	-422.525668	-422.524724	-422.563127	28.317
+C	 0.8591504212	 1.4637327259	-0.3575389205	-0.38179
+C	 1.2284336818	-0.0029013547	-0.5203741829	-0.050798
+C	 0.4507255716	-1.0590881044	-1.3111386591	-0.250462
+C	-0.735727409	-1.3103180776	-0.3468036121	 0.062429
+C	-0.4296541854	-2.1150559735	 0.9360419539	-0.069439
+O	 0.5773790429	-1.5391768306	 1.7672448139	-0.266799
+C	 0.4937266257	-0.1122937384	 1.9258641868	-0.1657
+C	 0.2589138136	 0.4420356149	 0.5525683321	 0.386318
+O	-1.0247248579	 0.023446285	 0.1014080107	-0.300385
+H	 1.649929399	 2.1144071443	 0.0030550995	 0.116778
+H	 0.160060786	 1.929945568	-1.044117675	 0.124577
+H	 2.2304714309	-0.2667356287	-0.2028798559	 0.098442
+H	 0.0755711121	-0.7079172421	-2.2779466925	 0.105638
+H	 1.0631452559	-1.9474054204	-1.4889531575	 0.104549
+H	-1.6266841963	-1.7230114354	-0.8316827342	 0.076359
+H	-1.3780725157	-2.1922213806	 1.4911350644	 0.096216
+H	-0.0814119189	-3.1279906884	 0.7074203899	 0.105493
+H	-0.32239137	 0.155502931	 2.6117198558	 0.099761
+H	 1.4476016426	 0.1976694557	 2.3613605127	 0.108813
+19
+0 197	2.7096888	2.0394918	1.6038064	1.9219	73.85	-0.2481	0.07985	0.32794999999999996	904.34	0.160043	-422.542199	-422.535462	-422.534518	-422.572797	28.254
+C	 0.8096310422	 1.4605181484	-0.3485335245	-0.389608
+C	 1.226390395	 0.0078152574	-0.5612378931	-0.081605
+C	 0.4534600825	-1.0644965789	-1.3299415199	-0.270307
+C	-0.7001489196	-1.3491019369	-0.3277145955	 0.191328
+O	-0.9971264761	-0.0496802625	 0.1439930557	-0.280226
+C	 0.2876935553	 0.4021882681	 0.5630146554	 0.410979
+C	 0.5457131422	-0.1467875718	 1.9385536293	-0.309148
+C	 0.6008117703	-1.6837409966	 1.6995077631	-0.056544
+O	-0.3702535802	-2.1788019831	 0.7675891988	-0.2724
+H	 1.5969858026	 2.1269677981	-0.0097077667	 0.115845
+H	 0.0723265557	 1.9170426854	-1.0006114428	 0.125137
+H	 2.2580723889	-0.2102351201	-0.308021164	 0.092412
+H	 0.0323179706	-0.7281948104	-2.2831823559	 0.108271
+H	 1.0699890349	-1.946453207	-1.5216073449	 0.108815
+H	-1.5963965774	-1.7913658051	-0.7691566075	 0.086507
+H	 1.4964337056	 0.1838118156	 2.3686806327	 0.101677
+H	-0.2618280706	 0.1274598499	 2.6238411238	 0.115146
+H	 1.6098769632	-1.9358467095	 1.3424032084	 0.094914
+H	 0.4245710451	-2.242194281	 2.6233292674	 0.108809
+19
+0 198	2.553198	2.0490473	1.5913558	1.7828	73.4	-0.24697	0.06871	0.31567999999999996	908.0807	0.159682	-422.519535	-422.512738	-422.511794	-422.550209	28.33
+C	 2.4555692068	 2.1862548985	-0.9054373437	-0.274435
+C	 1.1519292347	 2.550885064	-0.1843871869	 0.037174
+O	 0.8385138394	 2.2724799403	 1.2014059694	-0.302645
+C	 0.5366635197	 1.2831485171	 0.2209637383	 0.332572
+C	 1.5984508722	 0.1959655429	 0.0637303355	-0.274653
+C	 2.156034659	 0.7030158627	-1.2785069806	-0.027392
+C	 0.9859451935	 0.5008471536	-2.289170338	-0.065902
+O	-0.2990671889	 1.0346002218	-1.9322428004	-0.272011
+C	-0.7151409496	 0.9574927871	-0.5519915832	-0.162817
+H	 2.6009646885	 2.83943289	-1.7707051063	 0.105915
+H	 3.3501251566	 2.2547313592	-0.2773578486	 0.113071
+H	 0.541364948	 3.346939315	-0.6000198532	 0.104339
+H	 2.3301223354	 0.241995011	 0.8736018104	 0.108777
+H	 1.1809993133	-0.8134602939	 0.0135269861	 0.095153
+H	 3.0278931024	 0.1608871219	-1.6640794039	 0.063791
+H	 1.2128627202	 0.9659048468	-3.2542793774	 0.10977
+H	 0.9000168737	-0.5851207665	-2.4564386708	 0.093836
+H	-1.5074251191	 1.7009156547	-0.4329355716	 0.120784
+H	-1.1188722659	-0.038766826	-0.3221926152	 0.094673
+19
+0 199	2.5631009	2.0508432	1.5918832	0.9378	73.48	-0.2528	0.073	0.32580000000000003	906.6117	0.159699	-422.522836	-422.516072	-422.515128	-422.553443	28.435
+C	 3.8302054155	 0.1976325539	-1.1083373053	-0.284525
+C	 3.7816172149	 1.567639799	-0.4255071127	-0.00127
+O	 3.9340120657	 1.8236681793	 0.9934363176	-0.313695
+C	 2.6323453458	 1.5347839725	 0.4916100101	 0.374102
+C	 2.222870856	 0.0693872363	 0.642095953	-0.272269
+C	 2.3727937025	-0.2952472799	-0.8361221728	 0.131971
+O	 1.3484542509	 0.4208906886	-1.5439441894	-0.295063
+C	 1.1503268803	 1.8281911263	-1.3312549086	-0.040827
+C	 1.4570716349	 2.3910693625	 0.103543486	-0.335678
+H	 4.0500787894	 0.3098291505	-2.1733076585	 0.111157
+H	 4.5541780643	-0.5047804788	-0.6819212511	 0.115604
+H	 3.989773661	 2.449256061	-1.0261222059	 0.097943
+H	 2.9242063729	-0.4693774007	 1.2827123725	 0.110319
+H	 1.2030843833	-0.0696901268	 1.0058249387	 0.099446
+H	 2.2039382726	-1.3427767394	-1.101656581	 0.074225
+H	 1.7867740067	 2.3855993476	-2.0325148355	 0.099378
+H	 0.1086671573	 2.009136104	-1.6135606947	 0.108023
+H	 1.6949317464	 3.455141137	 0.0166504388	 0.114145
+H	 0.6078590995	 2.2781094972	 0.7845073089	 0.107013
+19
+0 200	2.6370646	2.0664657	1.6074537	2.2559	73.55	-0.23848	0.07725	0.31573	902.236	0.160238	-422.530028	-422.523299	-422.522355	-422.560653	28.184
+C	-0.3379059787	-0.0751327301	-0.0863780123	-0.414439
+C	 1.0607662324	-0.1073637641	-0.6760428783	 0.085621
+O	 1.6459617305	 0.8105400368	-1.576128711	-0.281371
+C	 2.1696359273	 1.8381475141	-0.7095803925	 0.239785
+C	 1.0012400547	 2.0753974132	 0.2345005234	-0.289098
+C	 0.8123141277	 0.59984743	 0.6271307912	 0.275858
+C	 1.7868222072	 0.2555792456	 1.7293508804	-0.335445
+C	 3.1874651074	 0.4393308258	 1.0595445314	-0.047012
+O	 3.2998192686	 1.4597170716	 0.0452372666	-0.285574
+H	-1.1062162157	 0.5764588731	-0.4900323925	 0.121146
+H	-0.7045988886	-1.039708473	 0.2555564979	 0.11548
+H	 1.5457241863	-1.0793788391	-0.6809725464	 0.094564
+H	 2.5012307025	 2.6571694353	-1.3499762249	 0.088653
+H	 1.2538269729	 2.7144250663	 1.0826799921	 0.104352
+H	 0.1451854458	 2.4956066521	-0.2970564109	 0.10513
+H	 1.6630204548	 0.9067313083	 2.6016756588	 0.104137
+H	 1.7055314271	-0.7797092766	 2.0771059271	 0.103689
+H	 3.9528195381	 0.6888823157	 1.8006176225	 0.106644
+H	 3.4689787998	-0.5165612651	 0.6007379976	 0.107881
+19
+0 201	2.6192246	2.0640148	1.6085667	1.608	73.84	-0.23287	0.08205	0.31492	902.7819	0.159928	-422.520769	-422.513971	-422.513026	-422.551483	28.23
+C	-0.2423043196	-0.1457912268	-0.0930323219	-0.405692
+C	 1.1925777928	-0.099903422	-0.5653048801	 0.106862
+O	 1.7627596962	 0.8143107542	-1.4780703246	-0.278126
+C	 2.1671946629	 1.912038814	-0.6293561461	 0.085632
+C	 0.9180566511	 2.1221134292	 0.2228407515	-0.273639
+C	 0.7910706524	 0.6561730291	 0.6713851726	 0.240205
+C	 1.7240582407	 0.3939341826	 1.8243306393	-0.160874
+O	 3.0647811203	 0.5513940713	 1.3215574719	-0.270993
+C	 3.3204235415	 1.570299898	 0.3487993983	-0.075371
+H	-1.0172937593	 0.4292497797	-0.5897971662	 0.120879
+H	-0.5713873134	-1.1113137288	 0.2820121092	 0.117495
+H	 1.7665404281	-1.0145622842	-0.4549365588	 0.102904
+H	 2.4734348285	 2.7358189377	-1.2809747585	 0.079048
+H	 1.0563263854	 2.8058321748	 1.0645688902	 0.100961
+H	 0.0749031674	 2.4655606958	-0.3804548267	 0.102834
+H	 1.5472816839	 1.0772974666	 2.6685410285	 0.091513
+H	 1.6734442812	-0.6332830983	 2.1982960611	 0.109002
+H	 3.5893446969	 2.5153282665	 0.8507284851	 0.090741
+H	 4.1980668431	 1.2228236005	-0.2051053547	 0.116619
+19
+0 202	2.5566081	2.146019	1.5684759	1.319	73.34	-0.22215	0.08077	0.30291999999999997	907.2151	0.159628	-422.519287	-422.512509	-422.511565	-422.549925	28.519
+C	-0.4454067544	 0.0830115857	 0.3653296177	-0.401454
+C	 0.832404565	-0.0338911185	-0.474008992	 0.043023
+O	 1.2935306474	 0.8638984129	-1.4599104367	-0.278639
+C	 2.0868018765	 1.7894688935	-0.6726272129	 0.103288
+C	 1.0994432505	 2.1430038763	 0.4391053659	-0.294935
+C	 0.8433395866	 0.6766640182	 0.839853334	 0.398599
+O	 1.6975994318	 0.2119810442	 1.8366395896	-0.312025
+C	 3.0365004963	 0.6567356683	 1.5078187843	-0.091519
+C	 3.2866720531	 1.056724326	 0.0161259252	-0.249293
+H	-1.2444175155	 0.7690820871	 0.1035824012	 0.122366
+H	-0.776818362	-0.8664227563	 0.775133596	 0.126102
+H	 1.2451041839	-1.0356322938	-0.5422636126	 0.097543
+H	 2.406626745	 2.5893108193	-1.3441640437	 0.075987
+H	 1.5094973909	 2.727889152	 1.2647602064	 0.109119
+H	 0.2151950964	 2.6472988246	 0.0445004239	 0.105848
+H	 3.2673786954	 1.520569522	 2.1444879435	 0.105001
+H	 3.7152721883	-0.1503013755	 1.7995236542	 0.11173
+H	 4.1661473347	 1.7096632538	 0.0153746799	 0.105612
+H	 3.5436144003	 0.1840157302	-0.5908243643	 0.123648
+19
+0 203	2.6487546	2.0745129	1.5919836	1.8235	73.5	-0.23757	0.08074	0.31831	909.7438	0.159818	-422.539879	-422.533105	-422.532161	-422.570524	28.357
+C	-0.0207909839	 0.512511181	-0.0123988791	-0.398477
+C	 1.2064689186	 0.0305760148	-0.776485261	 0.050186
+O	 2.5203169303	 0.4926078235	-0.5418404824	-0.270423
+C	 2.9045833492	-0.2484671434	 0.6243192007	 0.177864
+C	 3.273230253	-1.727561586	 0.3823808647	-0.223738
+C	 2.0810654165	-2.6296336927	-0.0599840815	-0.204969
+C	 0.6909799216	-2.1750828552	 0.4830346102	-0.290338
+C	 0.7709250541	-0.6729976856	 0.4717924956	 0.369525
+O	 1.7431125158	-0.2447965936	 1.4304003403	-0.281197
+H	 0.0420245397	 1.3956768511	 0.6125231979	 0.132097
+H	-0.9695251966	 0.3597072471	-0.518711433	 0.116728
+H	 1.0525635875	-0.4056563841	-1.7578319279	 0.100447
+H	 3.7070658502	 0.3042791306	 1.1194165093	 0.089896
+H	 4.0894660894	-1.8034537018	-0.3435610199	 0.105945
+H	 3.666225973	-2.0829379743	 1.3422014513	 0.110895
+H	 2.0255723383	-2.6186909119	-1.1534866359	 0.108201
+H	 2.288988875	-3.6662652354	 0.2243138154	 0.097158
+H	-0.108210766	-2.5612525057	-0.1576566631	 0.099923
+H	 0.5075570742	-2.5362552284	 1.5002451882	 0.110277
+19
+0 204	2.3614299	2.3096856	1.7994035	1.8485	72.51	-0.22898	0.06643	0.29541	867.4339	0.161195	-422.555346	-422.548944	-422.547999	-422.585798	26.861
+C	 1.4649810539	 0.0918343118	 0.0655673344	-0.271746
+C	 1.3363862566	 1.6388827849	 0.0729759549	-0.061588
+C	 1.3629758282	 2.2656582449	 1.4773542092	-0.233215
+C	-0.0702270161	 2.0113117285	 1.9965283261	 0.041289
+C	-0.3077239929	 0.5719233522	 2.4996364862	-0.078748
+O	-0.6120234377	-0.3386796154	 1.4481573675	-0.255906
+C	-0.0824334723	-0.0303712738	 0.1784505315	 0.085724
+C	-0.207493039	 1.4960258724	-0.1624733228	 0.093898
+O	-0.8879095927	 2.2188211255	 0.8421658895	-0.245874
+H	 1.8289079858	-0.2972504145	-0.8892550492	 0.103175
+H	 2.0486402694	-0.3646244787	 0.8698934373	 0.101639
+H	 1.9319976303	 2.1907926974	-0.6545662716	 0.069969
+H	 2.1319157925	 1.8403987648	 2.1289461074	 0.100285
+H	 1.5309603966	 3.3439902129	 1.4084262294	 0.107499
+H	-0.3735173106	 2.7279776492	 2.7635991347	 0.0839
+H	 0.5642602143	 0.2254120972	 3.0772891417	 0.086862
+H	-1.1770873575	 0.5486239687	 3.1641573433	 0.112037
+H	-0.5580564667	-0.7315855003	-0.5103805646	 0.083327
+H	-0.6283562222	 1.7479249323	-1.136047175	 0.07747
+19
+0 205	2.4136539	2.2969816	1.8351273	1.7055	72.42	-0.24504	0.0757	0.32074	859.6894	0.161454	-422.567727	-422.561418	-422.560474	-422.59801	26.713
+C	 1.491138574	 0.1804946307	-0.1448171046	-0.243905
+C	 1.2543209865	 1.7062501751	 0.0308921876	-0.056786
+C	 1.4270671066	 2.2289028755	 1.4671847779	-0.240555
+C	 0.1120298309	 1.7930011371	 2.138427806	 0.188712
+O	-0.8714295823	 2.0051526173	 1.1488828642	-0.249532
+C	-0.2888796977	 1.4529789883	-0.0277597549	 0.102597
+C	-0.018740575	-0.0787339658	 0.1228423975	-0.06756
+C	-0.3633470967	-0.4801277506	 1.5566581524	-0.076545
+O	 0.1819494705	 0.4214803195	 2.519117188	-0.285499
+H	 1.7806758486	-0.0810009157	-1.1655318322	 0.100043
+H	 2.196590141	-0.284733666	 0.5493887745	 0.103365
+H	 1.7019672972	 2.3607731315	-0.7173204607	 0.070946
+H	 2.2979779715	 1.8213276224	 1.9847916198	 0.10966
+H	 1.4897133479	 3.3213510932	 1.4742150898	 0.103462
+H	-0.1619524575	 2.3654396132	 3.0280496443	 0.086835
+H	-0.8595655332	 1.7868803108	-0.8936410022	 0.077481
+H	-0.5269744934	-0.7436426314	-0.5807943359	 0.070423
+H	-1.4561283463	-0.5276850947	 1.6632186304	 0.101552
+H	 0.0460280073	-1.4646911906	 1.804350258	 0.105307
+19
+0 206	2.3824142	2.2980126	1.8154107	1.5716	72.28	-0.24811	0.07611	0.32422	866.1346	0.1613	-422.56964	-422.563274	-422.56233	-422.599999	26.858
+C	 1.4637730113	 0.1408803444	-0.1488537036	-0.259734
+C	 1.2170934819	 1.6497262203	 0.1561682503	-0.059841
+C	 1.5127209535	 2.1051757887	 1.5907649159	-0.211907
+C	 0.74470067	 1.2747168714	 2.6467444388	-0.239
+C	-0.5916136427	 0.7639351353	 2.0768030715	 0.18442
+O	-0.4238782345	-0.4622716256	 1.3687872416	-0.271981
+C	-0.049998849	-0.1303104557	 0.0385778379	 0.076395
+C	-0.3225210481	 1.4021432657	-0.0199293458	 0.080036
+O	-1.0978138054	 1.6876049198	 1.1285331375	-0.251842
+H	 1.7828771102	-0.0285178878	-1.1811590664	 0.101349
+H	 2.128898742	-0.409231874	 0.5212419599	 0.104622
+H	 1.663200234	 2.3429734567	-0.5610157361	 0.068672
+H	 2.589524415	 2.0743770953	 1.7868030646	 0.098383
+H	 1.2057864977	 3.1527526361	 1.6777984268	 0.110254
+H	 1.3193416495	 0.4059421425	 2.9818964115	 0.111968
+H	 0.5510004504	 1.8917012504	 3.5300853801	 0.102397
+H	-1.3474981357	 0.6005065807	 2.8487106426	 0.091449
+H	-0.5470170266	-0.8224861478	-0.6434247338	 0.080506
+H	-0.8046399936	 1.8301761835	-0.8976135532	 0.083856
+19
+0 207	2.4168625	2.2787197	1.855411	2.4959	72.7	-0.25081	0.0781	0.32891	857.5774	0.161308	-422.568876	-422.562592	-422.561647	-422.599102	26.768
+C	 1.455416845	 0.165233639	-0.1953141033	-0.240456
+C	 1.1969396022	 1.6559460579	 0.1612364757	-0.046531
+C	 1.5146947911	 2.0222993844	 1.6112503069	-0.088403
+O	 0.8576180514	 1.184320548	 2.5648884324	-0.270061
+C	-0.4155404831	 0.7032441882	 2.1823013149	 0.198702
+C	-1.1378276321	 1.6885451487	 1.2552022371	-0.269478
+C	-0.3448277749	 1.406994997	-0.017665075	-0.065896
+C	-0.0429632633	-0.1222169218	 0.0589029656	 0.110701
+O	-0.3183326401	-0.485000853	 1.4113806179	-0.263403
+H	 1.7207720399	 0.0374725558	-1.2487210499	 0.0973
+H	 2.1580552499	-0.3922528265	 0.4285121621	 0.111162
+H	 1.6515411739	 2.3953578393	-0.5034558302	 0.070204
+H	 2.5869231655	 1.9238781039	 1.8116325736	 0.109844
+H	 1.2421227445	 3.0736291118	 1.7914604066	 0.09221
+H	-0.9286451828	 0.4375990514	 3.1076796116	 0.090038
+H	-2.1900979295	 1.4104515391	 1.1492438728	 0.108384
+H	-1.078739679	 2.7218818697	 1.6052749251	 0.10986
+H	-0.7748774093	 1.7775748466	-0.9473370469	 0.071414
+H	-0.5566797093	-0.8298295797	-0.5949115569	 0.074409
+19
+0 208	2.3586949	2.3173557	1.8494206	1.0765	72.9	-0.23713	0.07525	0.31238	858.3698	0.160997	-422.55963	-422.55329	-422.552346	-422.589875	26.994
+C	 1.4380818068	 0.1525538451	-0.0171277163	-0.270334
+C	 1.233142303	 1.682203084	 0.1147156461	 0.098704
+O	 1.3013381653	 2.1428978088	 1.4618800446	-0.275916
+C	 0.0275340185	 1.9068663071	 2.0777456437	 0.059402
+C	-0.9911581658	 2.2189651559	 0.9717765949	-0.232483
+C	-0.2898286902	 1.4943019286	-0.1715608188	-0.074008
+C	-0.0982109523	-0.0355636409	 0.1355712209	 0.106954
+O	-0.5655363494	-0.4002048943	 1.4215154686	-0.269208
+C	-0.1258893852	 0.4336738513	 2.4924829957	-0.088179
+H	 1.7672998537	-0.1271179198	-1.0225321735	 0.101087
+H	 2.0882454774	-0.3254663516	 0.7189163341	 0.109598
+H	 1.8445907585	 2.342915775	-0.5031763012	 0.074344
+H	-0.0206078025	 2.5534851636	 2.957309013	 0.081549
+H	-1.9841787521	 1.8166125728	 1.1866065282	 0.113426
+H	-1.0659763088	 3.2943694336	 0.7891652093	 0.104216
+H	-0.6373393623	 1.7232942504	-1.1787213561	 0.070312
+H	-0.5717668159	-0.7407523633	-0.5498647999	 0.081972
+H	-0.889126063	 0.3379240413	 3.2723132558	 0.106658
+H	 0.8313797442	 0.0797096924	 2.9018201608	 0.101907
+19
+0 209	2.3509632	2.3119795	1.8171711	0.5085	72.24	-0.24583	0.08112	0.32694999999999996	866.066	0.161414	-422.57016	-422.563786	-422.562841	-422.600574	26.771
+C	 1.361407456	 0.1609903399	 1.3025291071	-0.236516
+C	 1.9966538049	 1.4248426151	 0.7246936361	 0.086449
+O	 2.4787541636	 1.2368641471	-0.6255115393	-0.317217
+C	 1.2717388176	 1.8127659357	-1.1912101993	 0.086497
+C	 0.3636438438	 0.772718686	-1.8325500505	-0.21396
+C	 0.0059201755	-0.362013717	-0.8416655656	-0.221631
+C	-0.025730526	 0.1514170979	 0.6182842261	 0.074338
+O	-0.4021851089	 1.5412169929	 0.6288221514	-0.263431
+C	 0.7643064672	 2.2203814354	 0.2196454961	 0.047227
+H	 1.9594293442	-0.7299003623	 1.0976503879	 0.111624
+H	 1.2384902903	 0.2658630762	 2.3855391374	 0.103364
+H	 2.7456811862	 1.8988309397	 1.3635648356	 0.078048
+H	 1.5147875804	 2.6289492302	-1.8804869359	 0.073128
+H	-0.5491376841	 1.2898820421	-2.1498182021	 0.110354
+H	 0.832259054	 0.3666547202	-2.7343639787	 0.10545
+H	-0.9710365057	-0.7758222126	-1.1086236933	 0.100578
+H	 0.7279108542	-1.1804689856	-0.9207357882	 0.108323
+H	-0.773580531	-0.3850622511	 1.2058087594	 0.081558
+H	 0.6599636879	 3.2819421602	 0.4388097861	 0.085817
+19
+0 210	2.405969	2.2524274	1.8442222	2.3351	72.82	-0.24332	0.08016	0.32348	861.1396	0.161062	-422.562736	-422.556392	-422.555448	-422.59302	26.841
+C	-0.7345350667	 1.2142104874	 1.0023249734	-0.233286
+C	 0.4474458657	 2.1167164053	 1.3827499387	 0.116745
+O	 0.8740626678	 2.9390065717	 0.2700649604	-0.301688
+C	 1.8840967713	 1.9731548927	-0.0917427635	 0.099975
+C	 1.4675249624	 1.1403862884	-1.2981120963	-0.090172
+O	 0.2407415415	 0.4457433239	-1.1148620769	-0.279728
+C	-0.0750186744	 0.0516605709	 0.2241568451	 0.10924
+C	 1.1997877305	-0.2207717829	 1.0424518434	-0.25273
+C	 1.7033954836	 1.2075440143	 1.2479048278	-0.093608
+H	-1.2230986651	 0.8254857668	 1.9043952908	 0.092063
+H	-1.4771753562	 1.7447946948	 0.4022650244	 0.117165
+H	 0.2943419484	 2.7146104917	 2.2847731966	 0.074957
+H	 2.8542487963	 2.4494614976	-0.2768835532	 0.076315
+H	 1.3283425804	 1.7888382149	-2.1698341943	 0.11585
+H	 2.2837897626	 0.436795158	-1.5337159241	 0.087173
+H	-0.7329513142	-0.8154167605	 0.1262963491	 0.077256
+H	 0.9505194075	-0.6964305237	 1.9970190464	 0.101806
+H	 1.9072151633	-0.8701621076	 0.5185144101	 0.108267
+H	 2.5036228253	 1.3423187763	 1.974388632	 0.074399
+19
+0 211	2.8806125	1.8867308	1.5636233	1.7323	72.6	-0.25207	0.0815	0.33357000000000003	919.4401	0.16098	-422.562432	-422.555722	-422.554778	-422.593268	27.562
+C	 2.939000622	 2.9435611631	-0.7478766601	-0.298884
+C	 1.4459258069	 3.1317686682	-0.6088047219	-0.02844
+C	 0.7617731849	 2.9321977099	 0.7475813933	-0.243095
+C	 0.6391910906	 1.4405336647	 1.0793283039	 0.057432
+C	-0.3206585372	 0.6732883488	 0.131273662	-0.096041
+O	 0.538674777	 0.0587765566	-0.8291145561	-0.263016
+C	 1.830664233	 0.5935514571	-0.5857621898	 0.173931
+O	 1.8930328382	 0.7958649946	 0.8114365991	-0.255584
+C	 2.0036757424	 1.9122125394	-1.3180051771	-0.04956
+H	 3.4730909491	 3.5879631881	-1.4376932224	 0.107857
+H	 3.4904975016	 2.6697126525	 0.1448898287	 0.123929
+H	 1.0074222532	 3.8971143001	-1.2403609362	 0.086654
+H	 1.3238322201	 3.4369173986	 1.5416350683	 0.107055
+H	-0.2380751703	 3.3809575444	 0.7353195311	 0.100045
+H	 0.4007800033	 1.2785212512	 2.1326038923	 0.085234
+H	-0.8754022665	-0.1120918583	 0.6551681581	 0.10911
+H	-1.036232642	 1.3445006675	-0.3585642259	 0.100403
+H	 2.5740631047	-0.1579013258	-0.8661470769	 0.091098
+H	 1.8934046789	 1.8441475294	-2.3951576804	 0.091875
+19
+0 212	2.918678	1.8746951	1.5649343	1.4107	73.04	-0.24607	0.08372	0.32979	918.9574	0.160758	-422.563204	-422.556463	-422.555519	-422.594051	27.655
+C	-0.8252852761	-1.182156051	 0.2757685149	-0.302223
+C	-0.6256817132	 0.3049021043	 0.4605563237	-0.024109
+C	-1.1980223165	 1.2922355173	-0.557112702	-0.251826
+C	-0.3873937733	 1.2733762822	-1.8578808004	 0.202551
+O	 0.8747348875	 1.9097271588	-1.6702459449	-0.277011
+C	 1.8586958577	 0.8840956412	-1.5403102993	-0.079858
+C	 1.0114263643	-0.3881374271	-1.3958607767	 0.025858
+O	-0.0994607844	-0.0588440942	-2.2395854568	-0.258685
+C	 0.5313607236	-0.5791882198	 0.0319288013	-0.025326
+H	-0.9602955195	-1.7943131043	 1.1607051119	 0.106968
+H	-1.3878428261	-1.5031103007	-0.5940772379	 0.12472
+H	-0.6107846682	 0.6566543333	 1.4866232274	 0.08576
+H	-2.2459412211	 1.0605556608	-0.7828488249	 0.101569
+H	-1.1699112976	 2.3109609487	-0.1587325856	 0.111149
+H	-0.9132844479	 1.7604535061	-2.6851968127	 0.085353
+H	 2.4903884624	 0.8491790881	-2.437405358	 0.098636
+H	 2.4853612342	 1.0863544675	-0.6657406632	 0.104202
+H	 1.4875531937	-1.2828675997	-1.8046263708	 0.087585
+H	 1.3171375703	-0.7782725214	 0.7548081839	 0.084687
+19
+0 213	2.6447487	1.9905488	1.7251849	2.5394	72.47	-0.23754	0.0786	0.31614	889.7095	0.160824	-422.554121	-422.547544	-422.5466	-422.584702	27.645
+C	-0.933193975	 2.806866594	-0.8530146114	-0.326307
+C	 0.1133271872	 2.1725109831	-1.7275519015	 0.113431
+O	 1.4664916846	 2.1908231003	-1.3423942432	-0.262168
+C	 1.8359821229	 1.2975302101	-0.3076895579	 0.217817
+C	 1.1343434314	-0.0566954535	-0.4431660055	-0.262282
+C	-0.2444401499	 0.3810915721	 0.0933762074	-0.062492
+C	 0.2132745669	 1.125330016	 1.3508567213	-0.08638
+O	 1.4351465789	 1.7758594921	 0.9701248496	-0.270574
+C	-0.8565684453	 1.2936546512	-0.9784288723	-0.070059
+H	-0.5777529088	 3.2753094209	 0.0567946871	 0.136881
+H	-1.7679221917	 3.3109085302	-1.3280397032	 0.107916
+H	 0.0264008401	 2.2668519521	-2.8049741379	 0.095153
+H	 2.9265527068	 1.2796625941	-0.3288059434	 0.089904
+H	 1.1178645466	-0.4244240698	-1.4702304199	 0.109948
+H	 1.6136135715	-0.7970383692	 0.2041386304	 0.105071
+H	-0.9154732016	-0.4451801296	 0.3354588719	 0.071142
+H	-0.5013003528	 1.8740916527	 1.7038931197	 0.108169
+H	 0.4120877537	 0.4228405351	 2.1717913722	 0.095656
+H	-1.6331253057	 0.8236384081	-1.5738495735	 0.089173
+19
+0 214	2.8967169	1.9084692	1.584265	2.0411	72.73	-0.24002	0.0823	0.32232	914.3859	0.160608	-422.560321	-422.553602	-422.552658	-422.591138	27.824
+C	 1.7779009674	 3.4075136561	-1.0138495631	-0.325845
+C	 1.1772614073	 2.7742090338	 0.2159713694	 0.105829
+O	-0.1620618682	 2.3417407374	 0.1797382729	-0.265045
+C	-0.3430360191	 1.0857549947	-0.4453931984	 0.193064
+C	 0.2495881222	-0.0959216231	 0.3658145884	-0.254579
+C	 1.5865580743	-0.3997716054	-0.35675474	-0.216748
+C	 1.6991216547	 0.8004440087	-1.3147201576	 0.047164
+O	 0.3323183265	 1.0412887105	-1.6878816917	-0.251999
+C	 2.2193030875	 2.0263045032	-0.5810068255	-0.061633
+H	 1.1301176381	 3.4680671157	-1.8802910338	 0.133948
+H	 2.4706596026	 4.232089858	-0.8854367657	 0.108311
+H	 1.4369470258	 3.1796398022	 1.1891656485	 0.094963
+H	-1.4148971442	 1.0092087521	-0.6331427481	 0.090298
+H	 0.3782796503	 0.1898276964	 1.411434374	 0.11502
+H	-0.4296353239	-0.9506801793	 0.3343781166	 0.109912
+H	 2.436679428	-0.4749466682	 0.3255584356	 0.100926
+H	 1.5255055706	-1.3303285093	-0.926701489	 0.105305
+H	 2.2578350271	 0.5949370797	-2.2310618387	 0.081792
+H	 3.2085199129	 1.920646167	-0.1454126438	 0.089315
+19
+0 215	2.8421798	1.8960391	1.5927458	0.772	72.97	-0.2407	0.08535	0.32605	911.5332	0.160368	-422.548363	-422.541664	-422.54072	-422.579047	27.946
+C	 2.7009215879	 2.4838376282	 1.2460492036	-0.33729
+C	 1.5723042585	 1.6115718406	 1.7394154208	 0.10771
+O	 0.2380704779	 1.937165116	 1.4278512602	-0.276205
+C	-0.2273511866	 1.4492049195	 0.1707622823	 0.084437
+C	-0.1301225412	-0.0869942827	 0.0400201733	-0.09103
+O	 1.1059513234	-0.3612540505	-0.6362545379	-0.27347
+C	 1.8297714859	 0.877340198	-0.697173137	 0.075095
+C	 0.714747696	 1.8968800117	-0.9564381105	-0.258206
+C	 2.4871913484	 1.1045603641	 0.6554003826	-0.05288
+H	 2.4410741558	 3.3537930056	 0.6548537847	 0.120284
+H	 3.5573148022	 2.6256490371	 1.896976727	 0.112436
+H	 1.6538463809	 1.1925814241	 2.738188405	 0.097129
+H	-1.2517221923	 1.814660057	 0.0842813574	 0.084921
+H	-0.1521605159	-0.5632272886	 1.0271580724	 0.107644
+H	-0.9522996245	-0.4910544489	-0.5623046442	 0.103689
+H	 2.5616120254	 0.7844908878	-1.5028345108	 0.079469
+H	 0.995853061	 2.946962096	-0.8761709402	 0.11027
+H	 0.274588266	 1.7169967554	-1.9413096556	 0.10897
+H	 3.1974080011	 0.3300949197	 0.9278512668	 0.097026
+19
+0 216	2.8323944	1.8693892	1.5456069	2.8823	72.48	-0.25072	0.07719	0.32791	926.3835	0.160587	-422.561484	-422.554695	-422.553751	-422.592487	27.676
+C	-0.065847833	-0.046707084	-0.2124046114	-0.232635
+C	-0.5264190594	 1.1162581996	-1.1324191293	-0.225225
+C	 0.8011038607	 1.8526152668	-1.4025549676	 0.032405
+O	 1.7700665055	 0.8125938508	-1.4201122383	-0.249848
+C	 1.486600899	 0.0469286596	-0.2448909515	 0.090845
+C	 2.0788482589	 0.7715003784	 0.9759453301	-0.245379
+C	 1.7188802423	 2.2511207493	 0.9513949197	 0.044176
+O	 2.4573559959	 3.0707586606	 0.0341393151	-0.248517
+C	 1.090907236	 2.8145275275	-0.2563710791	 0.050978
+H	-0.4552539486	 0.049226603	 0.8044019056	 0.101701
+H	-0.401638804	-1.0110514053	-0.5993258516	 0.109912
+H	-0.9440568634	 0.7392483186	-2.0687181525	 0.109232
+H	-1.2786299928	 1.7575633808	-0.6644808215	 0.101169
+H	 0.8452351903	 2.3626671711	-2.3685493326	 0.085118
+H	 1.9583037337	-0.929745584	-0.3766246896	 0.078705
+H	 1.7090668748	 0.3139585151	 1.9007799102	 0.097141
+H	 3.1697787097	 0.6736831885	 0.9768372963	 0.120498
+H	 1.53903912	 2.7294535636	 1.9136772612	 0.091287
+H	 0.4245157443	 3.6747389202	-0.1760990234	 0.088437
+19
+0 217	2.8125915	1.8738477	1.5695112	0.6556	72.85	-0.24489	0.08582	0.33071	916.2391	0.160709	-422.563416	-422.556726	-422.555782	-422.594163	27.566
+C	-0.3420326377	 1.3498306732	 0.0299875395	-0.070434
+O	 0.2092519397	 0.0779980671	 0.3868817733	-0.280134
+C	 1.3579426586	-0.193520238	-0.4341000646	 0.105572
+C	 1.808716309	 1.1872229684	-0.9237493036	-0.247289
+C	 0.4256740385	 1.7878347075	-1.2270957018	-0.085004
+C	-0.1789220575	 1.0883946929	-2.4381511227	 0.054653
+O	 0.7182714463	 0.6213704722	-3.4458112233	-0.261998
+C	 0.0719367624	-0.3536230204	-2.6095517903	 0.054698
+C	 0.9465257232	-1.0947632976	-1.610247623	-0.240193
+H	-1.419849032	 1.2386968122	-0.1421698664	 0.099575
+H	-0.2003830903	 2.0630206694	 0.8542940744	 0.094203
+H	 2.0952218899	-0.7004125512	 0.1952823997	 0.075468
+H	 2.3048656089	 1.7433456129	-0.1233393173	 0.09998
+H	 2.4561577978	 1.1492614781	-1.7991592799	 0.124383
+H	 0.4350059202	 2.8726431924	-1.360477588	 0.074387
+H	-1.1066495684	 1.5140249542	-2.8221009726	 0.090013
+H	-0.6670204849	-0.9521043421	-3.141458275	 0.09289
+H	 0.3892981677	-1.9490126258	-1.2116927737	 0.111188
+H	 1.8330608486	-1.4912038653	-2.1208553148	 0.108044
+19
+0 218	2.7951804	1.8722228	1.5627412	1.5746	72.43	-0.24187	0.07916	0.32103	919.1351	0.160699	-422.560777	-422.554044	-422.5531	-422.591632	27.607
+C	-0.6177567243	 1.248967182	-0.3381605593	-0.072021
+O	-0.1197789811	-0.0427362597	 0.0470831089	-0.27304
+C	 1.3042252749	-0.0202956585	-0.0950504151	 0.068897
+C	 1.5549689291	 0.9529458338	-1.2484325011	-0.243454
+C	 0.5992375205	 2.0790103702	-0.8063975573	-0.048472
+C	 1.2325462362	 2.8783626742	 0.3497353842	-0.24608
+C	 1.84048641	 1.9754581008	 1.4153521739	 0.055323
+O	 3.0788474615	 1.323001712	 1.090631409	-0.257813
+C	 1.9002140579	 0.5205293466	 1.2009915065	 0.045137
+H	-1.3453912027	 1.1100048932	-1.1476355281	 0.100639
+H	-1.1380814142	 1.7126212238	 0.5094613338	 0.095709
+H	 1.6310436509	-1.0453890322	-0.2886654536	 0.077162
+H	 2.5954132274	 1.2692544189	-1.3243813397	 0.122602
+H	 1.2380408965	 0.5016106436	-2.1926563037	 0.100625
+H	 0.3246379765	 2.7542091094	-1.620655703	 0.072106
+H	 2.0116501613	 3.5497595082	-0.0312668182	 0.113402
+H	 0.4728990324	 3.5133781071	 0.8208635965	 0.101874
+H	 1.8104013927	 2.3504014566	 2.4379649244	 0.094281
+H	 1.8766530245	-0.1506176402	 2.0586848918	 0.093124
+19
+0 219	2.7268741	1.9848846	1.8721664	1.2699	73.02	-0.23565	0.08023	0.31588	864.8454	0.161393	-422.555962	-422.54965	-422.548706	-422.586196	26.787
+C	 0.4498134061	-1.6735691549	-2.8382175221	-0.243899
+C	 1.3122379319	-0.9443399265	-1.7689835225	-0.081093
+C	 0.6325776077	-1.0900198871	-0.3910116626	-0.226226
+C	-0.6593939862	-0.2529317817	-0.4588823117	 0.058617
+C	-0.2998207592	 1.2311253994	-0.4628189869	-0.058322
+O	 0.5990973428	 1.5043412599	-1.5424941586	-0.281946
+C	 0.7753105025	 0.392219174	-2.3795292572	 0.129927
+C	-0.4786170885	-0.4361287575	-2.7939920437	 0.075981
+O	-1.3664348788	-0.5267651236	-1.6758494407	-0.286972
+H	 0.9638026878	-1.7726473585	-3.7983552176	 0.098995
+H	-0.0063804976	-2.6255403937	-2.5580319901	 0.102099
+H	 2.3885295871	-1.1234421881	-1.7420875558	 0.065372
+H	 0.4163502962	-2.1407562214	-0.1720529542	 0.102163
+H	 1.2714280263	-0.7075118953	 0.4122518486	 0.103399
+H	-1.3498424109	-0.4764217917	 0.3581114666	 0.08135
+H	-1.2114276798	 1.8293122217	-0.5898672323	 0.101923
+H	 0.1838411308	 1.5259776978	 0.4780467278	 0.095575
+H	 1.3550609048	 0.7253434181	-3.2418170127	 0.087252
+H	-1.073785373	-0.1564738408	-3.6654026541	 0.075806
+19
+0 220	2.7874304	1.9585257	1.8645601	2.2882	72.88	-0.24168	0.07927	0.32095	864.7784	0.161383	-422.562605	-422.556286	-422.555342	-422.592881	26.737
+C	-1.0285438114	-1.418122549	-1.4849245326	-0.235738
+C	-1.0028850272	-0.135052001	-0.6071803693	-0.049083
+C	-0.6192355137	 1.0627988837	-1.4996709817	-0.249868
+C	 0.8569374163	 0.8537443646	-1.8860967517	 0.198678
+O	 1.6865990674	 1.1733312302	-0.7908474325	-0.2614
+C	 1.4083235253	 0.3493611062	 0.3470557063	-0.097995
+C	 0.3353650059	-0.6715668555	 0.0087487866	-0.056656
+C	 0.5111612609	-1.4022390753	-1.3550985628	 0.11416
+O	 1.077370249	-0.4853171964	-2.3007218823	-0.276196
+H	-1.4727893889	-2.2699380763	-0.9622127121	 0.096394
+H	-1.4366784907	-1.3417869494	-2.4961586091	 0.098573
+H	-1.8465559338	 0.0712044347	 0.0544266482	 0.064782
+H	-1.2574818352	 1.1119548279	-2.3882906787	 0.102124
+H	-0.7019530039	 2.0162003802	-0.9693436781	 0.108451
+H	 1.1866822829	 1.4921247762	-2.707210292	 0.087145
+H	 2.3400021218	-0.1508079634	 0.6436865451	 0.106043
+H	 1.0946211623	 0.9877784736	 1.185987046	 0.097795
+H	 0.1649320374	-1.3724760777	 0.828485033	 0.077288
+H	 1.0829976757	-2.3299686133	-1.4199593925	 0.075502
+19
+0 221	2.7719614	1.9938687	1.8561307	1.8444	72.89	-0.23779	0.08185	0.31964000000000004	867.0871	0.161291	-422.561761	-422.555379	-422.554435	-422.592107	26.947
+C	 0.3064883262	-1.7579608071	-0.392781767	-0.23997
+C	 1.1944897766	-0.4872934179	-0.4141961363	 0.098979
+O	 0.4810185793	 0.5793904191	 0.2228572122	-0.288369
+C	-0.6018618665	 1.0010240784	-0.5974996523	 0.196631
+C	-0.0720475357	 1.8543723462	-1.7484398604	-0.220084
+C	 0.8914084706	 0.9756904739	-2.5876416791	-0.242773
+C	 0.9512002753	-0.4085540583	-1.9537617711	-0.049064
+C	-0.4029503419	-1.1015829767	-1.6049964246	 0.09898
+O	-1.3178854874	-0.1123682498	-1.1181247987	-0.288368
+H	 0.8588809548	-2.6603877853	-0.6682813651	 0.095599
+H	-0.2967578004	-1.9224018645	 0.5012939235	 0.106138
+H	 2.2062489414	-0.4988181733	-0.0043228069	 0.074284
+H	-1.2930845225	 1.5469313207	 0.0481538609	 0.086072
+H	-0.9192368883	 2.2088709275	-2.3422027587	 0.10524
+H	 0.4349838572	 2.7296115207	-1.3327127585	 0.10524
+H	 0.5503556811	 0.8953451799	-3.6248314138	 0.105449
+H	 1.8947327076	 1.4123207463	-2.622700048	 0.105449
+H	 1.6121701827	-1.096127689	-2.4857463065	 0.076284
+H	-0.9325127102	-1.7058139606	-2.3440864095	 0.074284
+19
+0 222	2.6997054	1.9629623	1.8503454	1.4329	72.48	-0.23917	0.07989	0.31906	868.0483	0.161594	-422.562617	-422.55633	-422.555386	-422.592879	26.602
+C	 0.3365223651	 3.1760318435	-1.1792810863	-0.057434
+O	-0.7067826015	 2.6888062653	-0.3239219869	-0.279949
+C	-0.4190981923	 1.4570091329	 0.2766935282	 0.11182
+C	 0.0955173305	 0.2763543021	-0.590988004	 0.052541
+C	 0.9745394099	 0.8368824315	-1.7149343277	-0.216991
+C	 1.5142677718	 2.1962677382	-1.2083998276	-0.063064
+C	 2.0214011609	 2.0370509266	 0.2453108803	-0.216991
+C	 0.9420588037	 1.2469013697	 0.9941751298	 0.052536
+O	 0.9527066175	-0.1252747351	 0.5128864918	-0.301077
+H	-0.0822092128	 3.3169479002	-2.1852904377	 0.095212
+H	 0.6534353035	 4.1602727007	-0.8076763505	 0.095207
+H	-1.2746940654	 1.1905081934	 0.8968015619	 0.095337
+H	-0.5851567541	-0.5216403863	-0.8981187532	 0.075204
+H	 1.7799287915	 0.1246938775	-1.9205676973	 0.108009
+H	 0.4000810093	 0.9753193965	-2.6383453526	 0.097768
+H	 2.2930656293	 2.5922093184	-1.8667334004	 0.070892
+H	 2.9628975985	 1.4808957266	 0.2945650919	 0.108009
+H	 2.183944424	 3.0203988925	 0.7018868867	 0.097766
+H	 1.0072040708	 1.3039983457	 2.0836422035	 0.075204
+19
+0 223	2.7456803	1.9370258	1.8436494	0.7085	72.58	-0.23955	0.07992	0.31947000000000003	867.883	0.161358	-422.561597	-422.555257	-422.554313	-422.591916	26.745
+C	-1.1349711888	 1.0328787773	 1.0163238069	-0.108071
+O	-0.6268398873	-0.2786055324	 0.7587963923	-0.278423
+C	 0.6766957853	-0.2668647075	 0.1673973391	 0.094523
+C	 1.6519186638	 0.4440725997	 1.1295120593	-0.22547
+C	 1.3271891369	 1.9393758165	 1.0314579473	 0.082124
+O	 1.7670777361	 2.41046083	-0.2724667403	-0.303616
+C	 0.4890319219	 1.9773298653	-0.8152711571	 0.082126
+C	 0.6059622156	 0.4914330627	-1.1750408952	-0.225474
+C	-0.1500946046	 2.1087635657	 0.5914586347	-0.052994
+H	-2.0877200752	 1.1537103523	 0.4804766473	 0.100588
+H	-1.3574021797	 1.1206531515	 2.089766654	 0.10059
+H	 0.9337483781	-1.3193032386	 0.0290950603	 0.077704
+H	 1.4985062418	 0.0546863114	 2.1413420582	 0.10324
+H	 2.6980580257	 0.2857451748	 0.8485910571	 0.10774
+H	 1.7240582863	 2.5472692143	 1.848737396	 0.075553
+H	 0.1448382795	 2.6187714028	-1.6307888793	 0.075553
+H	-0.2624030552	 0.1344253433	-1.7384654561	 0.10324
+H	 1.5037683277	 0.3398102398	-1.7827778001	 0.107741
+H	-0.5297316279	 3.1131086308	 0.7844060355	 0.083328
+19
+0 224	2.7590026	2.1441539	1.9462852	2.1743	71.92	-0.2423	0.08697	0.32927	832.9268	0.162671	-422.575395	-422.5696	-422.568656	-422.605088	25.71
+C	-0.5819815919	 1.3136759918	 0.0627143139	-0.205022
+C	-0.886355735	 1.2714963851	-1.4465388755	-0.090098
+C	-1.9222882536	 0.124007653	-1.4531231532	-0.21148
+C	-0.8663062388	-0.8832024185	-0.9798525095	 0.082336
+O	 0.0276681182	-0.8214371443	-2.1101932297	-0.265464
+C	 0.3757287522	 0.5584307264	-2.0958053034	 0.201464
+O	 1.5335658555	 0.7029882625	-1.2962598506	-0.264097
+C	 1.3819797318	-0.1252951671	-0.1294669471	-0.07679
+C	-0.1170710788	-0.1620309375	 0.2155075375	-0.084256
+H	 0.2030630815	 2.0202351384	 0.336768664	 0.10851
+H	-1.4802352025	 1.549624404	 0.6390984868	 0.092339
+H	-1.1624462218	 2.2136572175	-1.9197008619	 0.066728
+H	-2.7518447839	 0.3026582377	-0.7642092392	 0.094267
+H	-2.3072120491	-0.152906622	-2.4358665212	 0.105418
+H	-1.1517924692	-1.9211913064	-0.8131497645	 0.076446
+H	 0.63040548	 0.8929398446	-3.101959778	 0.089495
+H	 1.7846640237	-1.1263764109	-0.3218182287	 0.105182
+H	 1.9645201371	 0.3442114109	 0.6689532872	 0.103148
+H	-0.3064142653	-0.6153530252	 1.189844703	 0.071874
+19
+0 225	2.7474299	2.1399586	1.9227093	2.1734	72.27	-0.23121	0.08461	0.31582	837.1867	0.162267	-422.563272	-422.557414	-422.55647	-422.59302	25.891
+C	-2.004545987	-0.1503673399	-1.4212204658	-0.213995
+C	-0.6558155185	-0.6947536811	-1.9479712046	-0.064988
+C	-0.0741095989	 0.6302655468	-2.483303032	-0.233457
+C	-0.1016905567	 1.4093648554	-1.1463220008	 0.082979
+O	 1.1299294867	 1.1693243358	-0.4713052835	-0.259463
+C	 1.4371245599	-0.2297522315	-0.4890454472	-0.082793
+C	 0.10749507	-0.9855430014	-0.5866972144	 0.053486
+O	-0.6985187601	-0.3402774713	 0.4184333137	-0.257607
+C	-1.293432405	 0.7031526847	-0.3566608592	 0.07043
+H	-2.5589343027	 0.3994008545	-2.1856461485	 0.093614
+H	-2.6549514279	-0.8876451028	-0.9479626385	 0.105675
+H	-0.6817343466	-1.5373545725	-2.6389325118	 0.066882
+H	 0.9401017879	 0.5797095713	-2.8834722761	 0.107538
+H	-0.7198689135	 1.0635007179	-3.2518487905	 0.096057
+H	-0.209959259	 2.4912036547	-1.2286145179	 0.079475
+H	 2.1267383755	-0.4797954229	-1.3092488716	 0.08536
+H	 1.931952725	-0.4601678326	 0.4590336239	 0.112793
+H	 0.2021581972	-2.0478555188	-0.3523853707	 0.080927
+H	-1.8838253363	 1.3444095835	 0.2968811854	 0.077088
+19
+0 226	2.7279166	2.1296965	1.9099051	2.1207	71.45	-0.25113	0.08413	0.33526	841.3243	0.162492	-422.578933	-422.573044	-422.5721	-422.608727	25.922
+C	 0.0269601681	 3.5620880796	-0.5011604875	-0.214086
+C	 0.7344569321	 2.6438072108	-1.5346230432	-0.085476
+C	 1.9263771463	 1.9917547452	-0.8038963283	-0.200249
+C	 1.4022143412	 1.4733840789	 0.5679519769	-0.223204
+C	-0.0895025937	 1.1823860465	 0.3608877737	 0.065896
+O	-0.1561059022	 0.4706751068	-0.8938034445	-0.259018
+C	-0.4023598457	 1.5568976523	-1.7664007502	 0.187544
+O	-1.5714513974	 2.1307484669	-1.2084835835	-0.249225
+C	-0.9362958179	 2.4933081244	 0.0295047273	 0.039813
+H	 0.7169444705	 3.9874528477	 0.2303552755	 0.097141
+H	-0.5486462318	 4.3698340157	-0.9567028319	 0.106628
+H	 1.0257699599	 3.1409641722	-2.4606886273	 0.070063
+H	 2.3281805495	 1.1611446949	-1.389383927	 0.109787
+H	 2.7337300115	 2.7182110459	-0.6705164245	 0.094602
+H	 1.9185365342	 0.555132595	 0.8603533259	 0.106712
+H	 1.5597969134	 2.1984242295	 1.3733056654	 0.098438
+H	-0.5396929401	 0.5687637526	 1.1428040825	 0.081391
+H	-0.5721445957	 1.2000567509	-2.7808511578	 0.091354
+H	-1.6778348822	 2.7806186442	 0.7732444285	 0.081891
+19
+0 227	2.7168055	2.1405123	1.9143706	0.9763	71.81	-0.23729	0.08813	0.32542	836.7853	0.162418	-422.566953	-422.561111	-422.560167	-422.596685	25.903
+C	-1.1649101406	-0.1782248955	-1.7333360372	-0.193625
+C	-0.7015669088	 1.022882655	-0.8650323965	-0.078818
+C	 0.7174832137	 1.3208619922	-1.3663465795	-0.093617
+O	 1.4098627145	 0.070793943	-1.4971305227	-0.275378
+C	 0.9307471608	-0.8681261352	-0.5307937443	 0.082657
+C	 0.792552009	-0.1422905052	 0.8234172604	-0.222068
+C	-0.644057919	 0.3517997714	 0.5796201762	 0.066125
+O	-1.2744639613	-0.9259448501	 0.3993450011	-0.267303
+C	-0.5889306906	-1.2639229123	-0.8187138822	 0.052911
+H	-2.2495263394	-0.2864747139	-1.7848738186	 0.102617
+H	-0.7471473569	-0.1490004811	-2.7408043421	 0.107271
+H	-1.345831803	 1.9018916928	-0.9041775055	 0.07333
+H	 0.6981984939	 1.7739376263	-2.3628812629	 0.106803
+H	 1.2641044397	 2.0036384121	-0.7003452494	 0.091961
+H	 1.6178090458	-1.7133862038	-0.555313694	 0.082198
+H	 0.7953997494	-0.8191819373	 1.6794657128	 0.107199
+H	 1.5699206672	 0.6117988997	 0.9569131154	 0.105607
+H	-1.1343981245	 0.9043724594	 1.3802643277	 0.076641
+H	-0.7742829497	-2.3059282173	-1.0768549188	 0.075489
+19
+0 228	2.7609731	2.1327408	1.9357341	0.237	72.27	-0.23515	0.09037	0.32552000000000003	838.0455	0.162001	-422.575739	-422.569773	-422.568829	-422.605584	26.169
+C	-0.9418151752	-1.4154842454	-0.8866139846	-0.216371
+C	 0.5872941015	-1.2905889322	-0.970168496	 0.061344
+O	 0.8667267066	-0.729353088	 0.3176839346	-0.281837
+C	 0.0548901683	 0.470305095	 0.2753993967	 0.061384
+C	 0.9818119614	 1.5701497257	-0.2584743007	-0.201689
+C	 1.7230132183	 0.9433172064	-1.4728312164	-0.201689
+C	 0.7803185193	-0.1344751021	-2.023790558	 0.061383
+O	-0.5280376937	 0.4868539177	-2.070607906	-0.281834
+C	-1.0504744533	 0.1141065027	-0.7900829702	 0.061344
+H	-1.4465220142	-1.7855409263	-1.780285384	 0.105121
+H	-1.2381326127	-1.9784176446	-0.0002608616	 0.105121
+H	 1.1953702632	-2.1818438671	-1.1203492025	 0.080093
+H	-0.3452115788	 0.6658110596	 1.2725146151	 0.077346
+H	 0.4040586957	 2.4484167232	-0.5595408797	 0.106193
+H	 1.6854452577	 1.8794018626	 0.5188124575	 0.100231
+H	 1.9282133097	 1.6926309354	-2.2418127718	 0.10023
+H	 2.6762516687	 0.5023980198	-1.168332483	 0.106194
+H	 1.0418617723	-0.4913698256	-3.0221715022	 0.077346
+H	-2.0246474448	 0.5789434232	-0.6432490574	 0.080093
+19
+0 229	3.5715714	1.4813399	1.2022749	1.8401	74.	-0.24228	0.07986	0.32214	1048.6385	0.159238	-422.522004	-422.514819	-422.513874	-422.553648	28.623
+C	 2.308925855	 0.8100065115	-3.3862910098	-0.312878
+C	 2.8752838818	 0.5323441856	-2.0084087856	-0.052781
+C	 2.1644573414	-0.4326950829	-1.0646420643	-0.264679
+C	 1.6129314344	 0.3579549234	 0.1274547846	 0.121304
+O	 0.3888926107	-0.1799875001	 0.6839175859	-0.297261
+C	-0.3649192617	 0.9877784628	 0.2854219292	-0.10003
+C	 0.8846012097	 1.6526251609	-0.3058699278	 0.067523
+O	 0.8154214771	 1.8277641156	-1.7090666923	-0.261162
+C	 2.0946856572	 1.7978390569	-2.2823690089	 0.100281
+H	 2.9964354675	 1.0788997391	-4.1806735807	 0.113679
+H	 1.4463720498	 0.2331565657	-3.7022251893	 0.124499
+H	 3.9498697327	 0.6242888419	-1.8879757424	 0.090116
+H	 1.3186824628	-0.9120449911	-1.5649878484	 0.117834
+H	 2.8349487885	-1.2296124785	-0.7324858882	 0.106371
+H	 2.3709532108	 0.4921351081	 0.9089220385	 0.074457
+H	-1.1355341747	 0.7581878042	-0.4592947242	 0.112228
+H	-0.8194699339	 1.4948254403	 1.1441880092	 0.10261
+H	 1.2161337684	 2.5753579215	 0.1864917012	 0.073005
+H	 2.6014754328	 2.7617267352	-2.3136355468	 0.084886
+19
+0 230	3.1205109	1.6904287	1.3733989	1.4255	73.78	-0.24029	0.06339	0.30368	984.0349	0.158634	-422.512608	-422.505336	-422.504392	-422.54451	29.022
+C	 1.049343089	-3.0832255064	-0.3524854358	-0.333019
+C	 1.304676662	-1.7726177278	-1.0505564547	 0.065985
+O	 2.2091519287	-0.8949965305	-0.4450057654	-0.25594
+C	 1.6097328263	 0.2841598297	 0.0583645309	 0.100233
+C	 0.8790492854	 1.2285069705	-0.9418616715	-0.254228
+C	-0.4633267283	 0.9971970156	-0.1857668337	-0.254236
+C	 0.2606262459	 0.0518796186	 0.8184304647	 0.100252
+O	-0.1494436571	-1.3011178424	 0.8841176734	-0.255934
+C	 0.0065772301	-1.9961659459	-0.3190268557	 0.065993
+H	 0.8601786369	-3.9632618377	-0.9570710201	 0.112642
+H	 1.5965794584	-3.2481771465	 0.568156719	 0.133062
+H	 1.3110248627	-1.7489683408	-2.1386842254	 0.091706
+H	 2.3877649231	 0.7683780697	 0.6522333374	 0.085326
+H	 1.248917332	 2.2562890681	-0.9388847728	 0.103443
+H	 0.8889753278	 0.8659085567	-1.9720104314	 0.107122
+H	-0.9033127974	 1.8854659983	 0.2730732855	 0.10344
+H	-1.236785424	 0.4993685595	-0.7745860816	 0.107122
+H	 0.2564576236	 0.4016486712	 1.8528995035	 0.085326
+H	-0.9128527453	-2.1319625097	-0.8854445265	 0.091707
+19
+0 231	3.2880231	1.4966479	1.1657628	1.9503	74.19	-0.24589	0.08319	0.32908	1059.8868	0.159728	-422.520403	-422.513358	-422.512414	-422.551636	28.412
+C	-0.3348998289	 1.3830716449	-0.2208376028	-0.153279
+O	-0.0353464447	 0.0185756679	-0.6421202763	-0.312748
+C	 1.3016274958	 0.188692812	-0.1175602455	 0.193118
+C	 2.5559378099	-0.3580117821	-0.761265231	-0.30574
+C	 3.6996924187	 0.5033843166	-0.1950931194	 0.047929
+O	 3.9469768573	 1.7614943938	-0.8323478569	-0.248821
+C	 3.4808750816	 1.7935660928	 0.5194053247	 0.065365
+C	 2.0936569052	 2.4030220288	 0.7452077018	-0.308189
+C	 1.1739325008	 1.6994467988	-0.2334104171	 0.017846
+H	-0.9823681343	 1.8994289254	-0.9344097824	 0.11061
+H	-0.7943130401	 1.3964538857	 0.7785774594	 0.095916
+H	 1.3014083804	-0.1092803116	 0.9465885146	 0.062727
+H	 2.7346196752	-1.4117655114	-0.5258130076	 0.104543
+H	 2.529123408	-0.251539386	-1.8508598336	 0.124988
+H	 4.6139936854	-0.0403038546	 0.0449216641	 0.093573
+H	 4.2434165797	 2.1003066371	 1.2377257723	 0.088574
+H	 1.795184309	 2.2207125359	 1.7852422632	 0.105724
+H	 2.1462293176	 3.4887531067	 0.6038126538	 0.110587
+H	 1.4452234835	 1.9910633995	-1.2515525514	 0.107278
+19
+0 232	2.5778629	2.1263624	1.520078	1.8858	72.55	-0.24824	0.0634	0.31164	914.6425	0.160595	-422.528851	-422.522278	-422.521334	-422.559422	27.52
+C	-2.2380595063	-1.370689873	-2.8854208345	-0.281237
+C	-2.9811630215	-1.849715781	-1.6121072842	-0.020856
+C	-2.6734581494	-0.9961677203	-0.3552210269	-0.281238
+C	-1.4452584867	-1.9129158865	-0.0301386331	 0.121202
+O	-0.1448490353	-1.3557014188	 0.0061203941	-0.247697
+C	 0.256813564	-0.786508271	-1.2122838602	 0.003267
+O	 0.2489849081	-1.6944613975	-2.2825057112	-0.247697
+C	-1.017045895	-2.2812490102	-2.5185590612	 0.121201
+C	-1.7675114582	-2.7951579437	-1.2633206209	-0.08926
+H	-2.7109645662	-1.6860813619	-3.818599938	 0.105498
+H	-2.0446116893	-0.2962362314	-2.9515150947	 0.103105
+H	-4.0022468243	-2.2082809846	-1.7347431713	 0.068381
+H	-2.4604806206	 0.061489674	-0.5347863958	 0.103106
+H	-3.4404353529	-1.0586000595	 0.4205253451	 0.105497
+H	-1.5553630993	-2.434159483	 0.9222329397	 0.088626
+H	-0.3708496129	 0.0891437178	-1.449904098	 0.079137
+H	 1.2928416127	-0.4685080525	-1.0810693075	 0.117727
+H	-0.8344836687	-3.0542251782	-3.2668959871	 0.088626
+H	-1.825984918	-3.8731009188	-1.1138239844	 0.062613
+19
+0 233	2.595782	2.1072241	1.5293373	2.4887	73.73	-0.2363	0.07634	0.31264000000000003	916.5102	0.160105	-422.530229	-422.523543	-422.522599	-422.561001	27.48
+C	-1.8445195298	 0.2358747921	-0.9582549652	-0.253116
+C	-0.9416521232	 1.0708157851	 0.0119029112	-0.02089
+C	 0.1918913166	 0.3323123741	 0.7100686232	-0.097717
+O	 1.0126973306	-0.370929099	-0.2068340427	-0.238745
+C	 1.6678315423	 0.4836967515	-1.1225371924	-0.10334
+C	 0.7109517235	 1.3303473854	-1.946027251	 0.125147
+O	-0.1759324281	 0.544182628	-2.7811043873	-0.307537
+C	-1.3476566384	 1.0935912861	-2.1447843428	 0.125124
+C	-0.4825407394	 1.9534706096	-1.1878484893	-0.13068
+H	-1.587571145	-0.8210320177	-1.0511267118	 0.120726
+H	-2.9134253689	 0.3387715415	-0.7538043248	 0.097465
+H	-1.5211266488	 1.6317637149	 0.7499943753	 0.073011
+H	 0.8004922039	 1.0457746196	 1.2941907115	 0.082445
+H	-0.1992921977	-0.4209129009	 1.40186821	 0.108481
+H	 2.3658863572	 1.1586434263	-0.5940354254	 0.082069
+H	 2.2526815726	-0.1640889949	-1.7829651613	 0.118864
+H	 1.2851831911	 2.043653297	-2.5533561015	 0.073666
+H	-2.0726496394	 1.4753138887	-2.8677038397	 0.074678
+H	-0.526660849	 3.0373933325	-1.0960424059	 0.07035
+19
+0 234	2.556019	2.1362262	1.529856	1.0197	73.27	-0.23793	0.07107	0.309	915.2086	0.160224	-422.53258	-422.525909	-422.524964	-422.563282	27.663
+C	 1.6698395884	-1.6666446239	-1.0338476358	-0.281126
+C	 0.2126778764	-1.9817818004	-0.6460784212	 0.115074
+O	-0.7277066034	-1.5233818869	-1.6442919585	-0.320143
+C	-0.9759513273	-0.2849988658	-0.9189096213	 0.12641
+C	-0.7112909804	 0.9636705706	-1.7448520988	-0.230199
+C	 0.744986067	 1.0154977089	-2.206638998	-0.08365
+O	 1.6572806939	 0.910111863	-1.1201181919	-0.259806
+C	 1.5270397529	-0.2592194009	-0.3484028356	 0.112404
+C	 0.0917424071	-0.6413147234	 0.1298568318	-0.129716
+H	 2.4041190865	-2.29372405	-0.5199847373	 0.102253
+H	 1.8755912166	-1.6859425438	-2.105766914	 0.115541
+H	-0.042035664	-2.9700630652	-0.2567724442	 0.076209
+H	-1.9991121256	-0.283685496	-0.5217592043	 0.072885
+H	-1.3780033799	 0.9854892912	-2.6148724934	 0.107812
+H	-0.9398247103	 1.841992647	-1.1280030364	 0.105536
+H	 0.9226715364	 0.2178557776	-2.9408345309	 0.1057
+H	 0.9698698997	 1.9712752724	-2.686864446	 0.1059
+H	 2.2298864571	-0.1312093279	 0.4773317457	 0.087774
+H	-0.1501151413	-0.5299156164	 1.1852787501	 0.07114
+19
+0 235	3.1092945	1.8645797	1.6288368	1.731	73.02	-0.24632	0.09198	0.33830000000000005	895.5428	0.161476	-422.552436	-422.546132	-422.545187	-422.582693	26.766
+C	 0.9212587859	 1.0044808262	-1.1786172067	-0.255174
+C	 0.1452324305	 1.2807628784	 0.1406357293	-0.062761
+C	 1.2973096021	 1.6162454823	 1.1011931574	-0.231983
+C	 2.236114626	 0.4012238604	 0.7915956334	 0.133497
+O	 2.3154496556	-0.499977173	 1.8998096696	-0.277084
+C	 1.2367571016	-1.4044938057	 1.945307686	 0.018916
+O	 0.0092384566	-0.8150626713	 1.5844482603	-0.271483
+C	 0.0638421276	-0.2717734328	 0.2785499802	 0.142008
+C	 1.4662828561	-0.2155828439	-0.396714362	-0.105177
+H	 0.2774309385	 0.7060656329	-2.0095736158	 0.10375
+H	 1.6356479416	 1.7613401003	-1.512574444	 0.099482
+H	-0.7465626888	 1.9055833905	 0.1681156529	 0.066339
+H	 1.7600253057	 2.5791618509	 0.8667554942	 0.093339
+H	 1.0083254313	 1.6076893912	 2.1528225313	 0.115095
+H	 3.2637180938	 0.6903630514	 0.5628721727	 0.081086
+H	 1.4389397237	-2.2673137299	 1.2881670567	 0.082859
+H	 1.1422959681	-1.7455417962	 2.9788239947	 0.117089
+H	-0.7144298786	-0.7202213693	-0.3463739518	 0.077582
+H	 1.9160632827	-1.0739121824	-0.8946101684	 0.072618
+19
+0 236	3.0583423	1.8089405	1.5571971	1.8393	72.62	-0.23522	0.08073	0.31595	916.0241	0.160983	-422.541929	-422.535459	-422.534514	-422.572404	27.173
+C	 1.4577334134	-0.3109256053	 1.4255935434	-0.24823
+C	 0.3057159886	 0.5019899724	 2.0344987092	 0.060702
+O	 0.4762487983	 1.7809162303	 1.3388664702	-0.300433
+C	 0.0090667753	 1.0407545383	 0.1829935331	 0.027372
+C	-0.910398763	 0.2067477824	 1.109591839	-0.008379
+C	-1.2421532265	-1.2196464168	 0.6534248168	-0.275782
+C	-0.6404846504	-1.4501393598	-0.7404525912	-0.056471
+O	 0.7392716278	-1.1211964286	-0.8274378689	-0.278117
+C	 1.1477646216	 0.014360126	-0.0747818051	 0.116462
+H	 2.4220525884	 0.0812736283	 1.7545207162	 0.108839
+H	 1.4236695725	-1.3857593649	 1.6161540403	 0.104892
+H	 0.22119515	 0.591830716	 3.11736108	 0.079442
+H	-0.3415047709	 1.6607964003	-0.6415365065	 0.083011
+H	-1.7743447271	 0.7915084715	 1.4274557336	 0.085694
+H	-0.8569426645	-1.9602744084	 1.3630641802	 0.109319
+H	-2.324538658	-1.3722620728	 0.5947767449	 0.104359
+H	-0.7203720171	-2.4988067728	-1.0420076142	 0.107598
+H	-1.2132518621	-0.8539479512	-1.4696957886	 0.092128
+H	 2.0028708037	 0.441205795	-0.6016204924	 0.087596
+19
+0 237	3.0717631	1.813682	1.5686679	0.8376	73.11	-0.24349	0.08132	0.32481000000000004	910.3286	0.161223	-422.544337	-422.537957	-422.537013	-422.574706	26.871
+C	 1.9316566531	 0.3859415165	 1.5061915083	-0.224774
+C	 1.784751174	-0.0143463607	 0.0249505733	 0.053021
+O	 1.5280840322	 1.2932359598	-0.5842666927	-0.300601
+C	 0.2499015804	 1.1830379068	 0.0961444001	 0.062742
+C	 0.2707481544	-0.3369067222	-0.1706493788	-0.016613
+C	-0.5543315565	-1.2369942581	 0.7398782189	-0.124334
+O	-0.4298428116	-0.9355514413	 2.12042449	-0.24241
+C	-0.4641983584	 0.4538281595	 2.4056476457	-0.09913
+C	 0.6071269921	 1.2085057034	 1.6075462569	-0.045018
+H	 1.9639366769	-0.4600474946	 2.1942152122	 0.113575
+H	 2.8213883056	 1.0043887215	 1.6379812211	 0.104402
+H	 2.5815304269	-0.5809928066	-0.456697653	 0.077731
+H	-0.5231848534	 1.8579147149	-0.2727488373	 0.076434
+H	 0.0693539063	-0.5514834059	-1.2223575393	 0.086811
+H	-1.6107635643	-1.1531515198	 0.4289003629	 0.092713
+H	-0.2653210834	-2.2881829247	 0.6339524768	 0.112419
+H	-1.4646687327	 0.8707061567	 2.1934800933	 0.086791
+H	-0.2910446724	 0.5375418289	 3.4825842939	 0.112305
+H	 0.7445303311	 2.2208407158	 1.9933865376	 0.073936
+19
+0 238	2.9850371	1.8496794	1.571404	1.8892	72.77	-0.2447	0.08112	0.32582	912.1407	0.161355	-422.545435	-422.539033	-422.538088	-422.575858	26.975
+C	 0.4783233224	 0.7892615546	-1.0359071901	-0.238214
+C	 1.0360075992	 1.2201619953	 0.3332424422	 0.018805
+O	 0.2801563118	 2.4525200353	 0.5548873978	-0.296954
+C	-0.8612277079	 1.5680955581	 0.7100070211	 0.03618
+C	 0.0895045275	 0.5693671604	 1.4034298948	 0.132979
+O	-0.2239318619	-0.7857272635	 1.5056316303	-0.272926
+C	-0.8129248014	-1.4106010754	 0.3658974003	-0.063828
+C	-1.712456011	-0.4796271259	-0.4543871614	-0.243299
+C	-1.0396741724	 0.8860783141	-0.6714059911	-0.032324
+H	 0.7638362752	 1.5211430449	-1.7942561105	 0.108652
+H	 0.8030241142	-0.198366878	-1.3689088999	 0.099623
+H	 2.1122480859	 1.3265558934	 0.4658649928	 0.078315
+H	-1.7280960062	 2.0215394074	 1.1906148848	 0.079104
+H	 0.3718407071	 0.9093841558	 2.3999369873	 0.102024
+H	-0.0213379626	-1.8276835067	-0.2715272976	 0.100115
+H	-1.3863201281	-2.2568974133	 0.7561667748	 0.107835
+H	-1.9391472529	-0.9671719905	-1.4091649673	 0.104205
+H	-2.6689071628	-0.3324019419	 0.063140619	 0.10577
+H	-1.6036499459	 1.5010382058	-1.3752696675	 0.073936
+19
+0 239	3.0907456	1.8707414	1.5985011	2.0579	73.61	-0.23286	0.08858	0.32144	906.1354	0.16084	-422.545764	-422.539324	-422.53838	-422.576174	27.115
+C	 0.69663634	 1.3276837323	-1.1419808298	-0.259677
+C	 0.2171231988	 1.4018590203	 0.3270217253	 0.064623
+O	 1.4329901689	 1.5829586422	 1.0589798397	-0.287509
+C	 2.2877531643	 0.5543594002	 0.4886900086	 0.118512
+C	 2.5920798743	-0.4991970001	 1.5608688539	-0.237018
+C	 1.4236125235	-1.490133773	 1.6694201342	-0.069647
+O	 0.1615343492	-0.8617481808	 1.4662359736	-0.272598
+C	 0.0755195642	-0.1472628723	 0.2645010929	 0.144575
+C	 1.3581146794	 0.0231409168	-0.618295384	-0.135687
+H	-0.1001382654	 1.1407715894	-1.8644265953	 0.103969
+H	 1.3521230403	 2.1328417028	-1.4782463202	 0.107027
+H	-0.551119745	 2.0767309942	 0.6990315615	 0.081713
+H	 3.2010146146	 1.0254969092	 0.1111369676	 0.074917
+H	 3.5122610068	-1.0436300074	 1.3176237044	 0.093368
+H	 2.7553671473	 0.0253805737	 2.5067587385	 0.119758
+H	 1.5532364548	-2.3019838092	 0.9366178279	 0.089446
+H	 1.3737416141	-1.9489263218	 2.6597765737	 0.110755
+H	-0.7981365757	-0.4741669486	-0.3081022437	 0.077505
+H	 1.7407897457	-0.7584322979	-1.2730599886	 0.075966
+19
+0 240	3.1266353	1.8470224	1.5886498	2.4223	73.99	-0.23711	0.08393	0.32104	907.0791	0.160785	-422.541099	-422.534656	-422.533712	-422.571536	26.959
+C	 0.3907179591	 1.6366768314	-0.7857950578	-0.241992
+C	 0.1795758432	 1.1484399278	 0.6685899368	 0.093568
+O	 1.4668894013	 1.3969032242	 1.2566474954	-0.278767
+C	 2.3430481423	 0.7497193767	 0.3052699729	 0.086204
+C	 2.9383248418	-0.5024357297	 0.9570364059	-0.09314
+O	 1.959338484	-1.2335118332	 1.6645317746	-0.237059
+C	 0.7667221383	-1.4829615432	 0.9426220892	-0.108377
+C	 0.2778279302	-0.3071050213	 0.1092621874	-0.027978
+C	 1.3307845099	 0.3999996434	-0.8040749869	-0.084758
+H	-0.4799328344	 1.5098543627	-1.432281893	 0.099551
+H	 0.8316594397	 2.6294327082	-0.9012431638	 0.100541
+H	-0.6068454893	 1.5009293654	 1.33399836	 0.080597
+H	 3.1305660975	 1.4422482826	-0.0122816525	 0.073826
+H	 3.428052912	-1.1166373345	 0.1797493509	 0.079672
+H	 3.6945195166	-0.2286071929	 1.6984543406	 0.114616
+H	 0.9034327911	-2.3443486432	 0.2634516524	 0.084801
+H	 0.0221266216	-1.7739805385	 1.6917383589	 0.111077
+H	-0.6232053918	-0.5824204028	-0.4449283355	 0.077256
+H	 1.7215937769	-0.049114323	-1.7167666454	 0.070362
+19
+0 241	3.0898733	1.8867562	1.6097793	2.2343	73.41	-0.24614	0.08581	0.33194999999999997	901.1401	0.161361	-422.554017	-422.547672	-422.546728	-422.584321	26.883
+C	 0.4146880741	-0.1673718641	 0.1341981752	-0.240583
+C	-0.0853809157	 0.2680016682	 1.5317737723	 0.079947
+O	 0.3318663888	 1.6491586996	 1.5762397228	-0.290899
+C	-0.1922586748	 2.1487050212	 0.3335470315	 0.230383
+O	-1.2132114094	 3.0856528298	 0.5489339562	-0.272394
+C	-2.1029125167	 2.7037248312	 1.5989042942	-0.070329
+C	-2.6038199909	 1.2582831981	 1.4509971425	-0.264722
+C	-1.5203332625	 0.3239699668	 0.9218066522	-0.002172
+C	-0.690531561	 0.8357064727	-0.3008246592	-0.109089
+H	 1.455715528	 0.0657846313	-0.1001784287	 0.102241
+H	 0.1725738487	-1.1993680877	-0.128222617	 0.101847
+H	 0.1709388315	-0.2250830773	 2.4681727706	 0.079335
+H	 0.5908041113	 2.6718540828	-0.2216751914	 0.085843
+H	-1.5988238727	 2.8311997887	 2.5626307185	 0.111493
+H	-2.9333329392	 3.412546665	 1.5487657736	 0.103209
+H	-2.9924595149	 0.9087221635	 2.4149881498	 0.100872
+H	-3.4407646801	 1.2279014273	 0.7423031186	 0.105381
+H	-1.9043814583	-0.6842501754	 0.7476426984	 0.075122
+H	-1.0930274165	 0.9008843483	-1.31037016	 0.074515
+19
+0 242	3.3865479	1.5792489	1.2979234	1.5687	73.07	-0.24898	0.07987	0.32885	1004.4119	0.160241	-422.558739	-422.551683	-422.550739	-422.590416	27.923
+C	 0.4585494644	 0.8642280792	-0.9268044924	-0.295098
+C	 0.918961407	-0.2967158202	-0.0829554853	-0.028045
+C	 2.339359579	-0.7895800792	-0.3092671311	-0.258922
+C	 3.2757687713	 0.4302068659	-0.0780267758	 0.065641
+O	 4.2908459487	 0.185497415	 0.8901640082	-0.248327
+C	 3.7098480813	 0.5048017725	 2.1299777619	 0.009412
+O	 2.8860985615	 1.6285551512	 1.9185063677	-0.263135
+C	 2.4105881464	 1.5596012854	 0.5736909585	 0.084299
+C	 0.9673260997	 1.1117622536	 0.4718969722	-0.06304
+H	 1.0709541633	 1.1755890845	-1.7695999537	 0.10811
+H	-0.6067035898	 0.9764646996	-1.095507805	 0.11481
+H	 0.1743828489	-1.0055935365	 0.2618439175	 0.086107
+H	 2.6006628574	-1.5664534319	 0.4167879036	 0.112834
+H	 2.4836034966	-1.2209770632	-1.3051840683	 0.103378
+H	 3.7825793367	 0.7459919607	-0.9912822675	 0.0907
+H	 3.1179285773	-0.3437482863	 2.5194681849	 0.081133
+H	 4.5021509758	 0.7614479155	 2.8394054758	 0.118477
+H	 2.5768944397	 2.5436492253	 0.1225159414	 0.086804
+H	 0.2800842248	 1.4615055291	 1.2328830274	 0.094862
+19
+0 243	3.3913023	1.6151317	1.3310009	0.4524	73.63	-0.2311	0.08774	0.31884	994.0212	0.159757	-422.552627	-422.545565	-422.544621	-422.58413	28.212
+C	-0.0793649457	-0.6614670812	 0.3849783825	-0.334866
+C	 1.3586941036	-0.3339953754	 0.0860183782	 0.117704
+O	 1.6568618584	 0.2750203674	-1.1441940642	-0.279593
+C	 0.907696585	 1.4906914482	-1.2742464382	 0.067487
+C	 1.8484851666	 2.6455619042	-1.6182322549	-0.238093
+C	 2.3375859865	 3.0658573552	-0.2291843312	-0.080852
+O	 1.1983715277	 2.9306563461	 0.6186909143	-0.274663
+C	 0.3810436677	 1.862336845	 0.1428314571	 0.097601
+C	 0.5646008213	 0.5931552524	 0.9536255069	-0.100082
+H	-0.8115275979	-0.5618783364	-0.4104371071	 0.115557
+H	-0.2787835339	-1.4706855557	 1.0791586424	 0.11539
+H	 2.1666557251	-0.9642931208	 0.4380687899	 0.101807
+H	 0.1073169034	 1.350373185	-2.0079646077	 0.078034
+H	 2.6471122649	 2.3264853285	-2.2907159468	 0.11614
+H	 1.2872494274	 3.4588273607	-2.0897623382	 0.104944
+H	 3.1569778798	 2.4131981207	 0.1062195624	 0.101042
+H	 2.6753582126	 4.1039547155	-0.1708388306	 0.107747
+H	-0.6548454413	 2.2186391539	 0.1369599519	 0.08411
+H	 0.7179016389	 0.6948915968	 2.0206210234	 0.100586
+19
+0 244	3.6738948	1.4782188	1.2212361	1.777	73.35	-0.23317	0.08269	0.31586	1036.6413	0.15991	-422.546545	-422.539428	-422.538484	-422.578293	28.13
+C	-0.3685458546	-0.0608146516	-0.1832073117	-0.339631
+C	 1.1266803936	-0.1435128284	-0.0123974565	 0.122302
+O	 1.9516679806	 0.5128079219	-0.9387689441	-0.274235
+C	 1.5707126934	 1.8928422508	-1.0061039161	 0.07039
+C	 2.8083628953	 2.8110198311	-0.9281252137	-0.096911
+O	 2.6386128465	 3.6383842602	 0.2180739309	-0.249823
+C	 1.8392316366	 2.9214976346	 1.1438678993	-0.098105
+C	 0.7743482044	 2.2080836986	 0.2903642528	-0.048584
+C	 0.3468781809	 0.8484795878	 0.8031393543	-0.091505
+H	-0.7696779993	 0.3656386283	-1.0967849291	 0.117557
+H	-0.9608330127	-0.8692668384	 0.2319317141	 0.114612
+H	 1.5946357221	-1.0334671166	 0.3911298557	 0.102443
+H	 0.9863990834	 2.0611422141	-1.9167298884	 0.082744
+H	 3.702253746	 2.1771886673	-0.8395800562	 0.10647
+H	 2.9212664545	 3.467851296	-1.7949714899	 0.106303
+H	 2.4394891184	 2.1807314382	 1.698473865	 0.09128
+H	 1.4281929882	 3.6401017141	 1.8575197454	 0.109252
+H	-0.0602828215	 2.8845789753	 0.0863095171	 0.083151
+H	 0.1786192742	 0.7170546967	 1.866196941	 0.092291
+19
+0 245	3.3853933	1.6030048	1.3129812	2.646	73.21	-0.23711	0.0823	0.31940999999999997	1000.4178	0.160017	-422.558632	-422.551538	-422.550594	-422.590634	28.071
+C	 0.0553209509	-0.4787527698	 0.2341737495	-0.331908
+C	 1.4798626391	-0.0985181789	-0.0631153447	 0.106855
+O	 1.7147466913	 0.6385039549	-1.2321605059	-0.270538
+C	 1.1224918835	 1.9348361842	-1.1496191243	 0.212644
+O	 2.081472821	 2.9431612398	-1.2928153849	-0.236412
+C	 2.5844530688	 3.2535643153	 0.0055165407	-0.091122
+C	 1.3454653693	 3.2092266241	 0.909887742	-0.239756
+C	 0.4962399045	 2.080715722	 0.2793216826	-0.095665
+C	 0.69397032	 0.7182887997	 0.919471558	-0.070081
+H	-0.6867848521	-0.3032842953	-0.5385318322	 0.115896
+H	-0.1212155363	-1.3592585426	 0.8429042533	 0.113047
+H	 2.3078538699	-0.7456295395	 0.2033133176	 0.10027
+H	 0.4275057665	 2.0431653509	-1.9863796879	 0.086712
+H	 3.3364482335	 2.5141691917	 0.315909479	 0.103225
+H	 3.0632716603	 4.2338451361	-0.0488711084	 0.110418
+H	 1.5903679951	 3.019156179	 1.958033688	 0.102165
+H	 0.8108411669	 4.1615579279	 0.8544274787	 0.108796
+H	-0.5583664372	 2.3605289734	 0.2210999091	 0.084834
+H	 0.883155215	 0.668959797	 1.9854894798	 0.090619
+19
+0 246	2.8341837	1.8100986	1.4995006	2.2825	73.18	-0.23949	0.08014	0.31963	944.1279	0.160112	-422.559786	-422.55276	-422.551816	-422.591366	27.923
+C	-0.4040934806	 0.3718867755	-1.3586416899	-0.072116
+C	-0.0826382723	-0.1189594266	 0.0588556902	-0.230813
+C	 0.8927715755	 0.9584115417	 0.573760927	-0.082122
+C	 0.2387454571	 2.1606518781	 1.2312751187	 0.030973
+O	-0.7161457952	 2.8242791621	 0.3870539909	-0.254334
+C	 0.5944121807	 3.3932858721	 0.5155510519	 0.043175
+C	 1.5124606085	 3.0667336489	-0.6423406275	-0.262511
+C	 1.5392638523	 1.5157890486	-0.7354647267	 0.10974
+O	 0.7873738576	 0.9997035986	-1.8279716016	-0.269552
+H	-0.6455299899	-0.4387052351	-2.053133826	 0.097276
+H	-1.2347049485	 1.0866754115	-1.3408505961	 0.114355
+H	-0.975423908	-0.2176458963	 0.6818864209	 0.106327
+H	 0.417452482	-1.0917070148	 0.0232543324	 0.103702
+H	 1.6416070307	 0.5412983301	 1.2537252275	 0.076242
+H	-0.017555972	 2.140234948	 2.2883248941	 0.092415
+H	 0.6260359017	 4.367298104	 0.9983907314	 0.094132
+H	 1.1696105672	 3.4970359512	-1.5873980602	 0.125781
+H	 2.5144107857	 3.4615108482	-0.4376289866	 0.098859
+H	 2.5686643275	 1.165737614	-0.8695608804	 0.078472
+19
+0 247	3.3321349	1.5626387	1.2900203	2.1689	72.87	-0.24458	0.0786	0.32318	1008.978	0.160091	-422.560457	-422.553397	-422.552453	-422.592052	27.94
+C	-0.4970296915	 1.090279576	-0.7857619651	-0.075229
+C	-0.0482381031	-0.1292840031	 0.0246291431	-0.237568
+C	 1.4051946727	 0.2351011972	 0.3736597653	-0.040827
+C	 1.5490710571	 1.1440609516	 1.6297971558	-0.266466
+C	 2.4027069991	 2.3121397057	 1.1859176601	 0.061954
+O	 3.6379892414	 1.9131436568	 0.5734854281	-0.263256
+C	 2.5485090356	 2.3028366543	-0.2737493812	 0.009203
+C	 1.8333873574	 1.0979771954	-0.8531445155	 0.09485
+O	 0.6433965148	 1.4785533954	-1.546270346	-0.272001
+H	-1.3125295078	 0.8802036394	-1.4839538557	 0.108814
+H	-0.8220242338	 1.9087217031	-0.1234312651	 0.090008
+H	-0.6689856894	-0.3096295434	 0.9066120092	 0.102294
+H	-0.0785225262	-1.0255283185	-0.6030439172	 0.107897
+H	 2.0343436595	-0.6495336136	 0.4712447615	 0.086853
+H	 0.573308338	 1.5179451614	 1.9646070498	 0.100959
+H	 1.99584472	 0.6085419185	 2.4729527023	 0.112802
+H	 2.4526306938	 3.2241396635	 1.7761179681	 0.094306
+H	 2.6976534898	 3.1948899732	-0.8761608387	 0.099449
+H	 2.4749433323	 0.5561543969	-1.5575200187	 0.085958
+19
+0 248	3.40451	1.5204301	1.2750853	0.5096	73.1	-0.25362	0.07865	0.33227	1014.4019	0.160309	-422.558459	-422.551445	-422.5505	-422.589987	27.746
+C	 0.8218163869	-0.2863350143	-0.8366955368	-0.103552
+O	 0.3317151893	 0.187765805	 0.4099071299	-0.245805
+C	-0.2157597707	 1.4774059847	 0.1600849658	-0.09932
+C	 0.6241754299	 2.1085429915	-0.9814678229	-0.066466
+C	 1.5900744516	 3.1826203203	-0.529148681	 0.032444
+O	 2.5561753267	 3.5182002009	-1.5343262814	-0.266922
+C	 2.9525486888	 2.6417587366	-0.4694117396	 0.060762
+C	 2.9375199054	 1.1782734539	-0.8500118108	-0.261077
+C	 1.5288943007	 0.9225607316	-1.4575703731	-0.021654
+H	 1.4824969982	-1.1344609868	-0.6363749539	 0.109309
+H	-0.0061947753	-0.63228323	-1.4781022226	 0.085559
+H	-1.2707199642	 1.3929511921	-0.1417703647	 0.091717
+H	-0.1745984607	 2.0421230073	 1.0970867323	 0.106531
+H	-0.0224652475	 2.4813241932	-1.7802011353	 0.086259
+H	 1.2507201343	 4.0118696168	 0.0881104064	 0.094398
+H	 3.7152190809	 3.0371075315	 0.1972935232	 0.092992
+H	 3.7411012032	 0.9243290328	-1.5480557078	 0.108788
+H	 3.0798414156	 0.5774951	 0.0562805028	 0.112445
+H	 1.5765314768	 0.8595932929	-2.5450837806	 0.083591
+19
+0 249	3.0192951	1.7342756	1.2741981	1.59	74.77	-0.23223	0.09602	0.32825	1004.5169	0.159683	-422.524454	-422.517427	-422.516483	-422.555635	28.592
+C	 1.0319938771	 1.2407020554	 1.7926344287	-0.347026
+C	-0.1381831095	 2.1885423653	 1.9881998106	-0.143345
+C	 0.3562158549	 3.6280292337	 1.7923293994	-0.255209
+C	 0.7911744258	 3.2750599026	 0.328240939	-0.088585
+C	-0.1472478532	 3.8401827556	-0.7447728357	-0.107953
+O	-0.3229584171	 2.8961144897	-1.7991567103	-0.228364
+C	-0.9125476573	 1.7238267331	-1.3209666657	 0.000001
+O	-0.0724250174	 1.011032126	-0.4291323403	-0.279166
+C	 0.3965573969	 1.8207332293	 0.5860992842	 0.460784
+H	 2.0384148768	 1.5231832963	 2.0983832471	 0.103025
+H	 0.7893924982	 0.1938004361	 1.9479835109	 0.120931
+H	-1.0300748506	 1.8823158247	 2.5199998852	 0.091022
+H	-0.4311456945	 4.385194511	 1.8286761719	 0.102562
+H	 1.1655824993	 3.9361704854	 2.4619703691	 0.10022
+H	 1.8387654089	 3.4443955425	 0.0569982765	 0.071308
+H	-1.1307397084	 4.0705897531	-0.3031143849	 0.08895
+H	 0.2454984704	 4.751572421	-1.2017605547	 0.113442
+H	-1.8661672552	 1.9592059552	-0.8135032698	 0.079019
+H	-1.0824569952	 1.0669045639	-2.175446421	 0.118383
+19
+0 250	2.9374983	1.7982767	1.2978705	0.4012	75.71	-0.2251	0.09233	0.31743	998.0919	0.158991	-422.519049	-422.511899	-422.510955	-422.550312	28.99
+C	 1.3435108953	 1.4025988706	 0.7175239954	-0.352565
+C	 0.4259895902	 1.0521581895	-0.4402224692	-0.148071
+C	 1.2219236695	 1.155738844	-1.7491853009	-0.247268
+C	 2.2157212665	 0.078342264	-1.2244033662	 0.03451
+O	 2.0201684266	-1.1345059318	-1.9385519604	-0.269336
+C	 2.1847047524	-2.2670373705	-1.098263887	-0.083519
+C	 1.1714066682	-2.2414612377	 0.0404029503	-0.09473
+O	 1.3653028182	-1.0910096447	 0.8648905774	-0.285976
+C	 1.46494756	 0.0557531339	 0.1064037408	 0.439163
+H	 2.1251393331	 2.1530600931	 0.6072664425	 0.103905
+H	 0.8648986376	 1.3912515984	 1.6921788756	 0.12194
+H	-0.6513585534	 1.0861657918	-0.3386939816	 0.091054
+H	 0.6957923239	 0.7782705656	-2.6270335795	 0.11776
+H	 1.6503963781	 2.1387125144	-1.970058938	 0.095304
+H	 3.2880161389	 0.3269498124	-1.1914477536	 0.061195
+H	 2.0323578738	-3.1493612905	-1.7272902768	 0.110719
+H	 3.2056887576	-2.3042702497	-0.684231284	 0.095775
+H	 0.1537847756	-2.2364912763	-0.3773943667	 0.10168
+H	 1.2875113878	-3.1122053565	 0.6917423619	 0.108459
+19
+0 251	2.9938327	1.7336606	1.2747816	1.7099	75.17	-0.25054	0.09494	0.34548	1007.101	0.15944	-422.525934	-422.518809	-422.517865	-422.557232	28.685
+C	-0.237214243	-1.0929549448	-1.2181652726	-0.354653
+C	 0.8720945528	-0.472413407	-0.406882157	-0.095492
+C	 2.0125659391	-0.0374407056	-1.3373335463	-0.251404
+C	 1.0139407548	 0.882836551	-2.0953760141	 0.056705
+O	 1.3253301913	 2.2455501851	-1.8363307976	-0.253727
+C	 0.1691346007	 3.0344339808	-1.7023620798	 0.013884
+O	-0.6127631173	 2.6728579031	-0.5960706493	-0.229334
+C	-1.1799253532	 1.374827078	-0.768642455	-0.212627
+C	-0.1205403871	 0.3986483667	-1.1802597421	 0.342606
+H	-0.0156392528	-1.646451714	-2.1291435388	 0.106155
+H	-1.0610309028	-1.5054367647	-0.6421011886	 0.114229
+H	 0.9496015825	-0.6306762903	 0.6621224901	 0.090328
+H	 2.7733717942	 0.5737765785	-0.8504480774	 0.123211
+H	 2.4930030569	-0.8320179464	-1.9166254127	 0.09565
+H	 0.8863468205	 0.7254464693	-3.1772084922	 0.060789
+H	 0.5076998769	 4.05828885	-1.5330265082	 0.117703
+H	-0.4384136455	 2.9824972396	-2.6268298251	 0.071347
+H	-1.6493438619	 1.1026299925	 0.1816464526	 0.112635
+H	-1.9713228062	 1.423446428	-1.5374790858	 0.091995
+19
+0 252	2.9302132	1.7185579	1.2493264	1.6852	74.9	-0.24017	0.08441	0.32458	1020.7023	0.158778	-422.527946	-422.520711	-422.519767	-422.559314	29.161
+C	 1.7458872798	 3.0231220941	-1.285436585	-0.270307
+C	 2.6281780238	 2.0762268745	-0.4590534357	-0.069962
+O	 2.089774825	 2.0565511589	 0.8804432664	-0.309136
+C	 1.4830998809	 1.2221521244	-0.101476896	 0.453657
+C	 1.2379922746	-0.2370308877	 0.0959101155	-0.344411
+C	 0.6330038939	-0.8006294293	-1.2073566303	-0.207359
+C	-0.4484834671	 0.1347675143	-1.7615189765	-0.06958
+O	 0.0761236188	 1.4183431213	-2.0821762729	-0.260218
+C	 0.5318298506	 2.1068556769	-0.9340208595	 0.044471
+H	 1.7108921307	 4.0562383586	-0.9338969381	 0.10983
+H	 1.9447439877	 2.9886834858	-2.3581602695	 0.119899
+H	 3.682004283	 1.8434409843	-0.5618356702	 0.102571
+H	 2.1536714676	-0.7632432158	 0.3838723066	 0.111403
+H	 0.5202862922	-0.3643704096	 0.9182270315	 0.111504
+H	 1.4164041812	-0.9067934877	-1.966389471	 0.110654
+H	 0.2070962105	-1.794684487	-1.0331461439	 0.099844
+H	-0.8618705677	-0.2597791063	-2.6939089727	 0.110335
+H	-1.2775002399	 0.2285871125	-1.0392094559	 0.088209
+H	-0.3028655555	 2.5636692676	-0.3836514228	 0.068597
+19
+0 253	2.8574178	1.7439512	1.2885777	1.1161	74.04	-0.2439	0.07881	0.32271	1005.6284	0.158864	-422.5188	-422.511395	-422.510451	-422.550919	29.052
+C	 0.8360738516	 4.0205992746	-0.4979067592	-0.26423
+C	 1.1248621832	 3.491417177	 0.9116235025	-0.037829
+O	-0.1218822598	 3.1114093735	 1.5287464004	-0.31726
+C	 0.485814905	 2.2008265959	 0.6186464286	 0.486955
+C	 0.8434193415	 0.7970879897	 0.9875197912	-0.377926
+C	 1.5013732914	 0.1212332522	-0.2533117767	-0.073409
+O	 1.9410374724	 1.053398317	-1.2284599444	-0.239517
+C	 0.8513532015	 1.7421290929	-1.8293455536	-0.108692
+C	 0.138661574	 2.6533284733	-0.819908816	-0.100049
+H	 0.2200662833	 4.9212677589	-0.5576189998	 0.106776
+H	 1.7515254895	 4.1602475472	-1.080177911	 0.110512
+H	 1.9419302315	 3.7355207362	 1.5813777366	 0.099753
+H	 1.5207411942	 0.8029505876	 1.847008629	 0.116835
+H	-0.0501397436	 0.2367380181	 1.2873287067	 0.11359
+H	 2.3858743182	-0.449361167	 0.0388760944	 0.115172
+H	 0.7880330805	-0.578934629	-0.7165455888	 0.092745
+H	 1.2693975891	 2.3086236014	-2.6671918405	 0.110751
+H	 0.1380126493	 1.0079599566	-2.2395031416	 0.08863
+H	-0.9322598129	 2.7188858239	-1.0294316677	 0.077194
+19
+0 254	2.8419415	1.7394531	1.2709523	2.0087	74.03	-0.24016	0.07735	0.31751	1009.4488	0.158671	-422.517242	-422.509832	-422.508888	-422.549084	29.218
+C	-1.2443101807	 2.2082840094	-2.1113707959	-0.266144
+C	-0.5473770903	 1.0302201343	-2.8042826336	-0.048254
+O	 0.7459242347	 1.4696690855	-3.2628935431	-0.309182
+C	 0.6068617685	 1.1146610552	-1.8941963122	 0.411082
+C	 1.4786721936	 0.0757708428	-1.2538298678	-0.182108
+O	 1.2515829405	 0.0266767717	 0.1508368108	-0.257413
+C	-0.0616121515	 0.3989547238	 0.5510812146	-0.079666
+C	-0.2866129731	 1.9037022063	 0.3400955455	-0.227957
+C	-0.0238588839	 2.2988830145	-1.1273379634	-0.069348
+H	-1.4402838428	 3.0801870265	-2.7402475921	 0.111403
+H	-2.166485432	 1.9100386444	-1.6039817835	 0.104337
+H	-0.9792975619	 0.1802329348	-3.321439536	 0.102192
+H	 1.3012531729	-0.9077587338	-1.7177636573	 0.099859
+H	 2.5387515044	 0.3209360876	-1.3895407476	 0.120357
+H	-0.8197579644	-0.1995781847	 0.0206220951	 0.090811
+H	-0.1283836794	 0.1457133898	 1.6128022751	 0.110622
+H	-1.2966803865	 2.1869436907	 0.6593021072	 0.097188
+H	 0.4171050755	 2.4315696407	 0.9919540402	 0.112057
+H	 0.5444661264	 3.2290282506	-1.1992103559	 0.080166
+19
+0 255	2.9335614	1.7505148	1.2618025	1.6097	74.77	-0.21757	0.0765	0.29407	1013.8924	0.158892	-422.516455	-422.509276	-422.508332	-422.547752	29.145
+C	-0.0824941381	-0.0979608259	 0.0658958805	-0.36183
+C	 1.4008745458	-0.3339466249	-0.0970325265	-0.006462
+O	 1.7546601422	-0.3185906618	-1.485131494	-0.301595
+C	 1.3448919103	 1.0780308272	-1.6049625804	 0.058752
+C	 2.5390244235	 2.0234716305	-1.7568728399	-0.230174
+C	 2.2869430101	 3.3135017398	-0.9582711155	-0.216344
+C	 1.9910164529	 2.9783685373	 0.5043053915	-0.075896
+O	 0.8116420441	 2.179601281	 0.6412147927	-0.284327
+C	 0.8184794603	 1.0720228873	-0.1715601006	 0.364191
+H	-0.7812331068	-0.4461567523	-0.6914258689	 0.111969
+H	-0.4324649327	-0.1637289052	 1.0924278061	 0.121484
+H	 2.0332975708	-0.8814165667	 0.5911371393	 0.107029
+H	 0.6029553731	 1.21167846	-2.4015508882	 0.080827
+H	 3.4193904455	 1.5128530479	-1.350814823	 0.113827
+H	 2.7437050548	 2.2353012513	-2.8104892436	 0.102124
+H	 3.1606108077	 3.9724015472	-1.0094446202	 0.103422
+H	 1.4375444494	 3.8689520608	-1.3752044932	 0.109297
+H	 2.8486577768	 2.4481313786	 0.9480591398	 0.09438
+H	 1.8014623103	 3.8793616677	 1.092878834	 0.109327
+19
+0 256	2.9911851	1.6860406	1.237281	1.3033	74.83	-0.23079	0.07408	0.30487	1023.3525	0.159048	-422.516802	-422.509595	-422.508651	-422.548177	28.989
+C	-0.0149272496	-0.4758363795	 0.2448713417	-0.372255
+C	 1.420291156	-0.3567783898	-0.1759735255	 0.054445
+O	 1.5361024378	-0.3601061526	-1.6010585571	-0.304126
+C	 0.7864766668	 0.8903852899	-1.6709190258	 0.068882
+C	 1.6694802061	 2.0772079838	-2.0623944146	-0.224998
+C	 1.2596359785	 3.3212130267	-1.263545316	-0.086311
+O	 1.4066780093	 3.1058392699	 0.1311423334	-0.237982
+C	 0.4885826929	 2.1438852178	 0.6282471151	-0.199186
+C	 0.5361573397	 0.8704123928	-0.1622762886	 0.269347
+H	-0.719542423	-1.0084618354	-0.3888826537	 0.113764
+H	-0.1763308897	-0.5930214267	 1.3134052178	 0.114112
+H	 2.2795575379	-0.6648589723	 0.408796617	 0.106597
+H	-0.0903725604	 0.7930986351	-2.3233547656	 0.077551
+H	 2.7053062736	 1.8301078675	-1.8114420312	 0.12129
+H	 1.6207135942	 2.2735393483	-3.1385453096	 0.099151
+H	 1.9042008982	 4.1690468842	-1.5110290363	 0.112755
+H	 0.2200958938	 3.6111026037	-1.4975606173	 0.086333
+H	 0.7458276463	 1.977167176	 1.6791896768	 0.110466
+H	-0.5350371684	 2.5596328606	 0.5985824494	 0.090163
+19
+0 257	3.0197774	1.674297	1.2357074	1.8882	74.59	-0.23093	0.07248	0.30341	1022.595	0.159243	-422.516955	-422.509801	-422.508857	-422.54827	28.891
+C	-0.0491552073	-0.3069962949	 0.0496084815	-0.370892
+C	 1.4336578828	-0.3469311228	-0.1692781941	 0.047069
+O	 1.7424380906	-0.185812124	-1.5566743411	-0.303524
+C	 1.1737005126	 1.1566836079	-1.5305392207	 0.056987
+C	 2.2670641446	 2.2285291286	-1.6233397773	-0.102204
+O	 1.9174063606	 3.3792921879	-0.8723227718	-0.243943
+C	 1.8730168512	 3.1047778441	 0.5195480419	-0.072372
+C	 0.719955988	 2.1513935337	 0.8687508899	-0.330054
+C	 0.7175268549	 0.988675892	-0.0816419159	 0.292004
+H	-0.7156906582	-0.6510662958	-0.7374580109	 0.113783
+H	-0.3750901094	-0.5323124222	 1.0616056947	 0.112228
+H	 2.155786853	-0.856626976	 0.4587723002	 0.102848
+H	 0.3990548296	 1.2858884835	-2.2952917149	 0.081816
+H	 3.2068525592	 1.7903374995	-1.2526059179	 0.098939
+H	 2.4219403664	 2.5606478045	-2.6531421621	 0.109795
+H	 2.8334744121	 2.6705200933	 0.8434626864	 0.089511
+H	 1.7484085364	 4.0689877109	 1.0198827876	 0.107394
+H	 0.8020862086	 1.8204521298	 1.9109397996	 0.099466
+H	-0.2290016559	 2.6962410798	 0.7791131451	 0.111152
+19
+0 258	3.3922104	1.7134891	1.46643	1.0555	73.6	-0.24631	0.08821	0.33452	942.7925	0.160141	-422.538251	-422.531397	-422.530453	-422.569647	27.723
+C	-1.605735909	 1.102830096	-1.8720831658	-0.299517
+C	-0.6103917899	 1.4143518726	-3.0142177422	-0.085872
+C	-1.0182919276	 0.3252470736	-4.0551925685	-0.213746
+C	-1.1886193716	-0.9405330049	-3.1187982067	-0.30638
+C	-0.7780779672	-0.2376881726	-1.8373098966	 0.44808
+O	-0.4635989644	-0.8617242317	-0.6320509162	-0.33073
+C	 0.4829352019	 0.0134016269	-0.0136086707	-0.001396
+O	 0.9059279146	 1.0042210731	-0.9580036486	-0.299156
+C	 0.448456679	 0.5909305401	-2.2326431549	 0.106494
+H	-1.4529851793	 1.7126234642	-0.9835250787	 0.113961
+H	-2.6672201069	 1.04107764	-2.1235147848	 0.088479
+H	-0.4341353488	 2.4197754068	-3.392925618	 0.070877
+H	-1.9460164513	 0.5931593777	-4.5665801711	 0.106504
+H	-0.247969537	 0.1649934352	-4.8148810094	 0.104682
+H	-2.2112630908	-1.3245477684	-3.1040872097	 0.10704
+H	-0.5127951689	-1.7567818658	-3.3860269934	 0.107517
+H	 0.0284552809	 0.5366156289	 0.8381155753	 0.109373
+H	 1.3324825772	-0.5936011949	 0.3267237643	 0.109691
+H	 1.2573401192	 0.1281090332	-2.8121228145	 0.0641
+19
+0 259	3.3709353	1.7113378	1.452447	0.4292	73.85	-0.23582	0.07622	0.31204	946.5828	0.159819	-422.526962	-422.520118	-422.519174	-422.558125	27.908
+C	 0.9578466535	-0.8592435348	-0.0234078068	-0.28965
+C	 1.0290478435	 0.1714849845	 1.1354511928	-0.137785
+C	-0.4285124238	 0.0581688531	 1.6537748504	-0.088394
+O	-1.1836532136	 0.0053897138	 0.4012950901	-0.350127
+C	-0.1172374876	 0.162081803	-0.521097656	 0.480283
+C	-0.2981689917	 0.5083322671	-1.9724177623	-0.384946
+C	 1.0481771492	 1.2623616975	-2.2348499824	-0.070993
+O	 1.7010933951	 1.5122494735	-0.9635184046	-0.293838
+C	 0.7699911371	 1.2737004993	 0.0640359303	 0.111872
+H	 1.8604941132	-0.8845731665	-0.6297666345	 0.119027
+H	 0.5973149487	-1.8646684118	 0.2043692874	 0.094878
+H	 1.8190919843	 0.2017111837	 1.8852340726	 0.076551
+H	-0.6044234885	-0.8545504377	 2.232225949	 0.108934
+H	-0.7573521356	 0.9249642378	 2.2385255095	 0.106476
+H	-0.4229577748	-0.3495522034	-2.6373116255	 0.113498
+H	-1.1593142469	 1.1720463548	-2.0966856444	 0.120258
+H	 1.7377041683	 0.6673361847	-2.8420227731	 0.112244
+H	 0.8786470669	 2.2155639179	-2.7495292412	 0.10801
+H	 0.2905069128	 2.1993798436	 0.4098984287	 0.0637
+19
+0 260	3.4090924	1.6665982	1.4300551	1.9666	73.8	-0.24173	0.07706	0.31879	952.451	0.160037	-422.524171	-422.517376	-422.516432	-422.555183	27.795
+C	-0.6905330447	 1.7191341429	-1.5439859204	-0.289302
+C	 0.2021246992	 2.9790760376	-1.3696361381	-0.118171
+C	-0.554082125	 3.6410150914	-0.1887466763	-0.086148
+O	-0.81412942	 2.4848335068	 0.6672729896	-0.346267
+C	-0.1733543096	 1.4766640062	-0.0953231916	 0.464354
+C	 0.1549348949	 0.1058592064	 0.4225987619	-0.181354
+O	 1.240382743	-0.2988875791	-0.4220345425	-0.282945
+C	 1.9015987998	 0.8413386595	-1.0334183757	-0.118336
+C	 1.1798894912	 2.0912730927	-0.5366346504	-0.050274
+H	-1.7673806675	 1.8639377959	-1.6561283682	 0.098385
+H	-0.3184076177	 1.0043198615	-2.2757434113	 0.121096
+H	 0.5032983512	 3.6326338907	-2.1886977089	 0.07486
+H	 0.0442560888	 4.3739656662	 0.3637987219	 0.106004
+H	-1.5013511081	 4.1002946102	-0.4904128759	 0.107169
+H	 0.4563306442	 0.1518732647	 1.4800083997	 0.102026
+H	-0.6440159058	-0.633814899	 0.3137200421	 0.111142
+H	 2.9525865644	 0.8401014918	-0.7245493583	 0.104334
+H	 1.87218254	 0.7057060631	-2.1206055037	 0.104828
+H	 1.7383166419	 2.6073825202	 0.248978626	 0.078601
+19
+0 261	3.4207714	1.6589807	1.429379	2.3032	73.69	-0.23423	0.08022	0.31445	954.0746	0.160047	-422.528404	-422.521536	-422.520592	-422.559693	27.81
+C	 0.5055936632	-0.9305324312	 0.1852224585	-0.281351
+C	 1.1681537272	-0.0133508508	 1.2220817227	 0.055492
+O	 0.0580164996	 0.3888682917	 2.0607163094	-0.289497
+C	-0.9987587413	 0.6740405173	 1.0945525962	-0.162721
+C	-0.2160453596	 0.4237399906	-0.1822759107	 0.288937
+C	-0.4827074235	 0.7973946663	-1.6193267612	-0.382738
+C	 0.9739654139	 0.976842157	-2.1531409914	-0.069483
+O	 1.871838095	 1.0382633875	-1.0240088807	-0.288803
+C	 1.12797341	 1.1232793004	 0.1663187477	 0.120973
+H	 1.1836912721	-1.2743257228	-0.5934638624	 0.117767
+H	-0.111290332	-1.7466323263	 0.567201409	 0.097757
+H	 2.0170058089	-0.273369501	 1.851525653	 0.080868
+H	-1.8460168446	-0.0009021301	 1.2615767294	 0.10169
+H	-1.3362095661	 1.7106483195	 1.2081435338	 0.103115
+H	-1.0317639097	 0.0431676786	-2.1891441721	 0.111888
+H	-1.0396615533	 1.738807772	-1.6810788014	 0.11019
+H	 1.28297112	 0.1313903147	-2.7774727604	 0.110171
+H	 1.0775440657	 1.8913277396	-2.7493591894	 0.106325
+H	 1.1117869544	 2.141621127	 0.5753283901	 0.06942
+19
+0 262	3.4629035	1.6167563	1.4077473	0.2942	73.66	-0.24264	0.07668	0.31932	958.9323	0.160359	-422.526593	-422.519842	-422.518898	-422.557496	27.652
+C	-1.1617630821	 0.5689298326	-0.5476792931	-0.276029
+C	-1.0148858759	 1.5172524772	-1.7469336218	 0.072364
+O	-1.4540851738	 2.7857079912	-1.2008674896	-0.286851
+C	-0.7822839708	 2.8269270674	 0.0926366606	-0.164116
+C	-0.0299434125	 1.5097073279	 0.0053038051	 0.281731
+C	 1.1084592092	 0.9313459213	 0.7989297818	-0.196178
+O	 1.7221760604	 0.0109498989	-0.1111289221	-0.273469
+C	 1.4738896595	 0.392546961	-1.4821448108	-0.118948
+C	 0.5072086289	 1.5807715872	-1.466428435	-0.043634
+H	-2.124893739	 0.5727445762	-0.0329349468	 0.100094
+H	-0.8147085677	-0.4488400804	-0.7191806306	 0.121863
+H	-1.4737104406	 1.3776851211	-2.7247062359	 0.079771
+H	-0.1300619515	 3.7058657494	 0.1485425089	 0.104349
+H	-1.5277676003	 2.8786385714	 0.8941584604	 0.103122
+H	 1.8173529009	 1.7158967394	 1.1103842628	 0.092257
+H	 0.8096766694	 0.3624011787	 1.6850026589	 0.110915
+H	 2.4219325724	 0.6771921083	-1.9537178438	 0.103094
+H	 1.0917626118	-0.4895624834	-2.0086231949	 0.106899
+H	 0.9786896816	 2.5164000349	-1.7765851743	 0.082765
+19
+0 263	3.3875114	1.654609	1.4261178	2.0553	73.58	-0.23929	0.07717	0.31646	958.1751	0.160011	-422.527384	-422.520491	-422.519546	-422.55942	27.876
+C	-1.4124860296	-0.3058185159	-0.2588662234	-0.309143
+C	-0.7130966434	-1.4314792904	-1.0358869446	 0.06235
+O	-0.4415672366	-2.4025404126	 0.0139652544	-0.287226
+C	 0.0776528055	-1.5819317928	 1.0990796977	-0.145047
+C	 0.0316722239	-0.2404287678	 0.3808066374	 0.404474
+O	 0.6002420813	 0.9299537429	 0.8497582383	-0.323791
+C	 1.1145542107	 1.6458008231	-0.2964306594	-0.08367
+C	 0.8307917699	 0.7969955603	-1.5796558797	-0.314426
+C	 0.6019263637	-0.6096078377	-1.0118897648	-0.026549
+H	-1.6609520202	 0.5768595551	-0.8457746086	 0.103256
+H	-2.2488742559	-0.5971487417	 0.379069666	 0.101448
+H	-1.123487027	-1.9507774064	-1.899145477	 0.081204
+H	-0.5735671275	-1.6620883563	 1.9761295501	 0.104135
+H	 1.092450436	-1.8967878049	 1.3649402672	 0.104989
+H	 0.639992276	 2.6318627323	-0.3425000892	 0.110052
+H	 2.1895242133	 1.7934693042	-0.1415622949	 0.110568
+H	-0.0373823911	 1.1877090323	-2.1150940747	 0.115642
+H	 1.6771758751	 0.8327097518	-2.2688181015	 0.110766
+H	 1.5087674559	-1.2197330855	-1.0228980233	 0.080967
+19
+0 264	3.4478156	1.6941953	1.4581513	1.8469	73.93	-0.23944	0.08571	0.32515	950.5102	0.159926	-422.540372	-422.533584	-422.53264	-422.571155	27.992
+C	 3.0170758694	 1.433586076	 1.4802245438	-0.064547
+C	 2.7410048655	 2.1676850203	 0.1420378045	-0.374978
+C	 1.8474144276	 1.1592993283	-0.5190510504	 0.432723
+C	 1.3786960541	 0.9234214897	-1.9537439937	-0.317177
+C	 0.5678054369	-0.3945548717	-1.6494374117	-0.222707
+C	 0.793019473	-0.4430983675	-0.1145086399	 0.020403
+O	 0.5983587926	 0.9548678883	 0.2437323623	-0.347409
+C	 2.3205132286	-0.2219587465	-0.0173736133	 0.132617
+O	 2.9204640824	 0.0187520849	 1.2284958362	-0.290589
+H	 4.0138004121	 1.6385178118	 1.8839612007	 0.101715
+H	 2.2669712376	 1.7194767242	 2.2248260049	 0.116321
+H	 2.270998151	 3.1415773879	 0.2976508253	 0.119396
+H	 3.6559321231	 2.3056343749	-0.4441581909	 0.111375
+H	 0.7435132673	 1.7310051343	-2.3224587382	 0.112363
+H	 2.2020269069	 0.7710742907	-2.6566280806	 0.103371
+H	-0.4930966444	-0.2972968696	-1.8858373025	 0.1134
+H	 0.9636258742	-1.2697706312	-2.1728281176	 0.102286
+H	 0.2248021071	-1.1518074079	 0.4875467682	 0.082801
+H	 2.965543025	-0.855985837	-0.6367903273	 0.068636
+19
+0 265	3.4928566	1.6374664	1.4055712	2.3119	73.66	-0.24538	0.08272	0.3281	965.417	0.160098	-422.538371	-422.531522	-422.530578	-422.569426	27.838
+C	 1.1711306338	 3.8977041666	 0.6799810388	-0.215161
+C	 0.4407298649	 3.4314735886	-0.6319341924	-0.306376
+C	 0.8526567723	 1.9602598134	-0.5375832232	 0.423672
+C	 0.5144086897	 0.76707021	-1.3913342458	-0.178395
+O	 0.4146806892	-0.3325106629	-0.480687656	-0.274004
+C	 0.8862029188	 0.0495926896	 0.8241267227	-0.100976
+C	 0.6233483685	 1.5512327129	 0.936502757	-0.065606
+C	 1.8051057878	 2.5353086422	 1.0651102025	 0.046276
+O	 2.2923908866	 2.0735886394	-0.2291672879	-0.340302
+H	 1.9402813691	 4.6486857355	 0.4899944847	 0.111393
+H	 0.4846245104	 4.2839908593	 1.4385822745	 0.101416
+H	-0.6425564842	 3.5736521416	-0.5999208009	 0.105007
+H	 0.8353903469	 3.9159775471	-1.5272508634	 0.113353
+H	-0.4467306772	 0.8855572472	-1.9070336713	 0.103441
+H	 1.2964230854	 0.584682117	-2.1400334461	 0.111544
+H	 0.3230886337	-0.5415863774	 1.5509809863	 0.103788
+H	 1.9535861102	-0.1807752413	 0.9260582346	 0.106531
+H	-0.3273674696	 1.8069318843	 1.4111462633	 0.073975
+H	 2.5474046035	 2.5076857567	 1.8635334429	 0.080422
+19
+0 266	3.5793573	1.2596754	1.1247816	1.8058	74.81	-0.23192	0.06716	0.29908	1140.0801	0.157117	-422.486872	-422.478773	-422.477829	-422.520382	30.065
+C	 3.5866764353	-0.7302919562	 0.8854617295	-0.33522
+C	 3.1867266823	 0.3253524978	 1.902538243	-0.193046
+C	 2.7282632843	-0.3698633693	 3.1787181638	-0.086927
+O	 1.8035392724	-1.2173997714	 2.4377025211	-0.333282
+C	 2.144159921	-0.5354180471	 1.2227394073	 0.469858
+C	 1.0369684868	-0.2706188321	 0.2568582697	 0.036841
+C	 0.0249282831	 0.8534041287	 0.5829103889	-0.291403
+C	 0.5321551288	 1.4883793457	-0.7261046959	-0.059089
+O	 1.51090092	 0.438603571	-0.9105015093	-0.292359
+H	 3.8824003464	-0.3282010497	-0.0772551019	 0.135601
+H	 4.0942686349	-1.6386557282	 1.1999988849	 0.109987
+H	 3.4248413647	 1.3745491458	 1.7922322678	 0.101643
+H	 3.4695958405	-0.956247223	 3.7346969332	 0.105448
+H	 2.1791286699	 0.2810851151	 3.8681902561	 0.107428
+H	 0.5658157418	-1.2268214577	-0.0150082653	 0.085971
+H	-1.0244729178	 0.5586437873	 0.598205841	 0.114461
+H	 0.2603430105	 1.4123735598	 1.4894894315	 0.113538
+H	-0.1938609728	 1.5101647317	-1.5478814191	 0.104685
+H	 1.0041077777	 2.4740918416	-0.6438184763	 0.105865
+19
+0 267	3.7384788	1.1646773	1.0802761	3.0805	75.27	-0.23719	0.0697	0.30689	1175.9867	0.157346	-422.483713	-422.475679	-422.474735	-422.516993	29.916
+C	-2.276123043	 2.6023644152	 1.2691949663	-0.339898
+C	-1.4042066576	 3.7590938985	 0.8182239629	-0.191689
+C	-1.5781895678	 3.9448804384	-0.6823086315	-0.087579
+O	-1.3129149254	 2.5359789112	-0.9296527359	-0.320487
+C	-1.0390547972	 2.3277386831	 0.4665338455	 0.477814
+C	 0.0780581682	 1.4129908667	 0.8191698465	-0.154211
+C	 1.4143547948	 1.5489696378	 0.0501392705	-0.085218
+O	 1.3855193494	 0.1595262331	-0.3321436664	-0.271135
+C	 0.0579699917	-0.0101092543	 0.2003613864	-0.084538
+H	-2.2099124798	 2.3745283159	 2.3286980024	 0.11564
+H	-3.2527328676	 2.439783622	 0.820690855	 0.116494
+H	-0.9453242798	 4.4590643971	 1.503250667	 0.102423
+H	-2.5661441032	 4.2493900815	-1.047626771	 0.106949
+H	-0.8039338984	 4.5669524394	-1.1447890988	 0.111002
+H	 0.2075077024	 1.3995499296	 1.9039659978	 0.083466
+H	 1.3564230541	 2.2139695951	-0.8200028925	 0.108367
+H	 2.3017938254	 1.794826319	 0.644460013	 0.09732
+H	-0.6892546004	-0.1416327449	-0.5920676065	 0.115152
+H	-0.0029874759	-0.8492700845	 0.9024895793	 0.100128
+19
+0 268	4.1841893	1.1122645	1.0295685	2.6434	75.19	-0.23284	0.06235	0.29519	1203.4257	0.157268	-422.483943	-422.475888	-422.474944	-422.517332	29.955
+C	 2.2814180607	-1.3695777957	 0.3020297493	-0.352836
+C	 3.4909060148	-0.6486047367	-0.2067402041	 0.064527
+O	 4.0761116924	-1.3438268203	-1.3114969894	-0.286349
+C	 2.8702017825	-1.131190814	-2.0911643552	-0.143722
+C	 2.1629875258	-0.4654982712	-0.9099212905	 0.27581
+C	 1.2555848787	 0.7185867683	-0.9800186894	 0.018814
+C	-0.2806510282	 0.5016715973	-0.9796104498	-0.291545
+C	-0.2618662046	 1.3999000048	 0.2703600808	-0.061048
+O	 1.183834123	 1.4247291489	 0.2839582103	-0.293653
+H	 2.2230344901	-2.4505778035	 0.2059912075	 0.109573
+H	 1.847341347	-0.9440405782	 1.2009373864	 0.127922
+H	 4.116302226	 0.02560827	 0.3661213507	 0.114851
+H	 3.0670175152	-0.4411418799	-2.9210309766	 0.106411
+H	 2.4516716166	-2.0674100799	-2.4795262844	 0.104141
+H	 1.592052101	 1.3944483224	-1.7809427995	 0.071898
+H	-0.8229822632	 0.8810664932	-1.8464942437	 0.110089
+H	-0.5740734193	-0.5315829251	-0.7867160465	 0.114368
+H	-0.680801402	 2.4038584408	 0.1265840202	 0.103368
+H	-0.6709223563	 0.973173469	 1.1927744839	 0.107382
+19
+0 269	3.6525634	1.1566449	1.0340351	1.7292	74.19	-0.23724	0.06775	0.30499	1188.9012	0.157272	-422.479255	-422.471192	-422.470247	-422.512746	29.866
+C	-1.2350071996	 3.4869243791	 0.3191557407	-0.352895
+C	-1.5280878321	 2.4686972751	 1.3788490992	 0.059894
+O	-2.9046799375	 2.0882244045	 1.3428043965	-0.284719
+C	-2.7336659289	 1.559645561	 0.0005298135	-0.13285
+C	-1.2715310706	 2.0117941326	-0.0428184895	 0.262178
+C	-0.1550840997	 1.2646111058	-0.6986488879	-0.158917
+C	 0.1106117771	-0.2027659419	-0.2747722205	-0.08554
+O	 1.4925624199	 0.0866688281	 0.0147311188	-0.269576
+C	 1.2934105779	 1.4954640198	-0.2032478631	-0.088598
+H	-2.022895362	 4.1624436826	-0.0043119041	 0.11634
+H	-0.2401205419	 3.9214849047	 0.3506477386	 0.117107
+H	-0.9904430278	 2.34847841	 2.3126965084	 0.110162
+H	-2.855128135	 0.4696600583	 0.0020257693	 0.108373
+H	-3.4286824966	 2.0072483995	-0.7202007337	 0.105739
+H	-0.228399707	 1.3637631431	-1.7869062972	 0.085325
+H	-0.4372868767	-0.5215373678	 0.6223669276	 0.102368
+H	 0.0058348847	-0.9686273116	-1.0515973232	 0.10357
+H	 1.3732813774	 2.0669653325	 0.732064186	 0.096094
+H	 2.0021252884	 1.9065000546	-0.9308298394	 0.105946
+19
+0 270	4.1289977	1.1772399	1.1040976	1.616	75.28	-0.24417	0.06275	0.30691999999999997	1166.5502	0.15712	-422.495469	-422.487388	-422.486444	-422.52877	30.084
+C	 0.6594912135	 1.0603579786	-1.2466303366	-0.056274
+C	 0.165635672	-0.2125713344	-0.5333293394	-0.293923
+C	 0.8388946636	 0.4075677305	 0.7189421815	 0.000666
+O	 1.1886548147	 1.6008461265	-0.0143265964	-0.285457
+C	 2.0498877381	-0.2938076098	 1.2420246163	 0.431748
+C	 2.1932384684	-1.2679794563	 2.4284676586	-0.309104
+C	 3.6684824184	-0.7585576081	 2.6027816578	-0.237649
+C	 3.435876971	 0.1777511864	 1.4085547107	-0.030945
+O	 3.0672182599	-0.6494187154	 0.2951228404	-0.292967
+H	 1.4501642738	 0.9030799881	-1.9883734054	 0.114116
+H	-0.1156751647	 1.7073720577	-1.6729094321	 0.100611
+H	-0.9179801386	-0.3149890971	-0.4651170406	 0.109815
+H	 0.6063748916	-1.1486784894	-0.8764423667	 0.124414
+H	 0.1596808752	 0.6325029879	 1.5524843356	 0.0756
+H	 1.5585777042	-1.0083227142	 3.2793748314	 0.107178
+H	 2.0596279022	-2.3231740004	 2.1798828968	 0.108652
+H	 3.8180565513	-0.2273707095	 3.5455731516	 0.107673
+H	 4.4656562119	-1.4927545252	 2.4658805369	 0.112071
+H	 3.8770000532	 1.1399038141	 1.1789121197	 0.113777
+19
+0 271	3.614748	1.1917281	1.0845661	1.716	74.47	-0.24922	0.07506	0.32428	1169.7264	0.15707	-422.49254	-422.484424	-422.48348	-422.526126	30.019
+C	-0.9461221873	 1.665202035	-3.736834863	-0.235072
+C	-1.7937723874	 1.5738684531	-2.4193574032	-0.300305
+C	-0.5036220125	 1.8535185003	-1.6230500495	 0.434386
+O	-0.0093748781	 3.1185311317	-2.0911460756	-0.293488
+C	 0.2860661934	 1.9466828521	-2.8675294474	-0.044584
+C	-0.1671554276	 1.4395986764	-0.230018473	-0.180832
+C	 1.319786553	 1.5445570382	 0.1712911729	-0.080144
+O	 1.4424612232	 0.1098620893	 0.2716081124	-0.271298
+C	 0.040598528	-0.0780441124	 0.004381182	-0.078752
+H	-0.8923405752	 0.7120490428	-4.2678846869	 0.107802
+H	-1.2065263011	 2.4614543274	-4.437678578	 0.113799
+H	-2.5838602234	 2.3162787707	-2.2850258812	 0.110088
+H	-2.2005090991	 0.5732674192	-2.2525483723	 0.107758
+H	 1.3314837102	 1.7416361681	-3.0697490139	 0.106603
+H	-0.8603011075	 1.9110887034	 0.472933857	 0.088724
+H	 1.9867569664	 1.970902858	-0.5854943215	 0.114339
+H	 1.5066313314	 2.0407822658	 1.1311895088	 0.101866
+H	-0.1312660076	-0.7251419682	-0.864849899	 0.099307
+H	-0.4917123888	-0.493375351	 0.8694527114	 0.099805
+19
+0 272	3.4535215	1.3812469	1.2432756	2.6735	74.37	-0.24546	0.07553	0.32099	1062.7975	0.158343	-422.526229	-422.518648	-422.517704	-422.558535	29.291
+C	-1.566016154	 3.211519119	 1.3537167028	-0.301669
+C	-2.5374750861	 2.3377582422	 0.60555192	-0.053256
+C	-2.3500202298	 2.283680009	-0.8989682792	-0.111383
+O	-0.9492213402	 2.087314775	-1.1026755951	-0.299119
+C	-0.4103050827	 1.3734641109	-0.0024576915	 0.359634
+C	-0.1237038784	-0.1385935355	-0.2123967546	-0.130918
+O	 1.2748025607	 0.0553506744	 0.0757820677	-0.273663
+C	 1.1235424738	 1.4899687896	 0.0973230996	-0.127304
+C	-1.2755773772	 1.7404765997	 1.1832320478	-0.106744
+H	-0.9717409373	 3.9225759692	 0.7879202714	 0.123921
+H	-1.8558721916	 3.5458008743	 2.3433238186	 0.114223
+H	-3.5155514322	 2.1287516428	 1.0215046824	 0.093336
+H	-2.9320591943	 1.4533366024	-1.3282292892	 0.096626
+H	-2.626104452	 3.2044081112	-1.4235801057	 0.111075
+H	-0.5948932709	-0.8433186764	 0.4836049062	 0.095831
+H	-0.2973579888	-0.4656610232	-1.245789466	 0.101601
+H	 1.5250895047	 1.9376650937	 1.0133956335	 0.103186
+H	 1.5724535131	 1.9713949722	-0.7801946256	 0.107557
+H	-1.2850574967	 1.0831718694	 2.044073287	 0.097068
+19
+0 273	3.4426008	1.3922827	1.2531197	1.7865	74.09	-0.22949	0.06857	0.29806	1061.2399	0.158276	-422.521582	-422.513975	-422.513031	-422.553954	29.486
+C	 3.4990090379	 1.8841014358	-1.6593943987	-0.337194
+C	 3.0947433	 0.6996822253	-2.4886662	 0.120159
+O	 3.0575462891	-0.5691713899	-1.8837441184	-0.256039
+C	 2.2789513484	-0.4588744669	-0.6993854072	-0.167441
+C	 1.3252466494	 0.7465676275	-0.8704158094	 0.437718
+C	-0.1875297616	 0.4833813273	-1.087116479	-0.353862
+C	-0.368237742	 1.1962826357	 0.2645578861	-0.069547
+O	 1.0553954482	 1.3869526704	 0.4036069542	-0.318888
+C	 2.0267463082	 1.5881505166	-1.9120818323	-0.142772
+H	 3.8975463889	 1.7293597759	-0.6629566281	 0.129859
+H	 3.9185508801	 2.736222445	-2.1827792643	 0.115534
+H	 3.3358152981	 0.6414141122	-3.5432190346	 0.102867
+H	 1.7585319759	-1.4080279722	-0.5445383514	 0.108618
+H	 2.9073759569	-0.2654529996	 0.1815514467	 0.112564
+H	-0.6241808584	 0.9892646223	-1.9501008442	 0.111966
+H	-0.4735279715	-0.5695431482	-1.1090862516	 0.112899
+H	-0.9067960167	 2.1509220099	 0.2299302708	 0.10352
+H	-0.7794100688	 0.5878196751	 1.0787291661	 0.103578
+H	 1.4392833979	 2.2699182877	-2.5153007648	 0.086463
+19
+0 274	3.4723281	1.3306597	1.2036386	1.3984	73.67	-0.23643	0.06849	0.30491999999999997	1079.3543	0.158289	-422.51522	-422.507583	-422.506639	-422.54787	29.287
+C	-0.9592120258	 3.7539548581	 0.9857703294	-0.346318
+C	-2.0855782578	 2.8870365448	 0.4919426626	 0.121012
+O	-2.1741123411	 2.6133916061	-0.8826173663	-0.254914
+C	-0.9000960092	 2.1447786159	-1.3140238273	-0.171855
+C	-0.2045903408	 1.5149998939	-0.0886395616	 0.279653
+C	 1.3340888005	 1.3751783695	-0.1630096653	-0.125095
+O	 1.2577320859	-0.0625918121	-0.1147863332	-0.271587
+C	-0.177244163	-0.0331254313	-0.0004146501	-0.124534
+C	-0.860177643	 2.235710567	 1.0700300029	-0.158311
+H	-0.3471027845	 4.2917691111	 0.2697285541	 0.11979
+H	-1.1169462187	 4.2815073194	 1.920221823	 0.117873
+H	-3.0580246308	 2.9002314566	 0.9687345664	 0.105313
+H	-1.0576538155	 1.4394396782	-2.1350563636	 0.117076
+H	-0.2930691321	 2.9777617769	-1.7003676039	 0.097827
+H	 1.7987090855	 1.7312537557	-1.0929228378	 0.096754
+H	 1.8839620887	 1.791356368	 0.6906110267	 0.103096
+H	-0.6699640556	-0.5669244993	-0.8232829074	 0.101281
+H	-0.5229617093	-0.4539884208	 0.9530860882	 0.098697
+H	-0.8559488132	 1.7599583823	 2.0438469131	 0.094242
+19
+0 275	3.3822379	1.4273053	1.2751388	2.0645	74.91	-0.2469	0.08643	0.33333	1053.7121	0.157832	-422.531386	-422.523822	-422.522878	-422.563434	29.578
+C	 1.1693299609	 1.5594148647	-0.2532532109	-0.217146
+C	-0.3334728431	 1.4895829333	 0.1372765381	-0.277029
+C	-0.2420994116	-0.0522235135	 0.0745267299	 0.44329
+C	 1.3104747249	 0.066587072	 0.1536877753	-0.290396
+O	-0.921706683	-0.7249834687	 1.1255946324	-0.313301
+C	-1.3915219709	-2.0009459356	 0.6999942997	-0.126439
+C	-1.4499551046	-1.9268042928	-0.8087166284	 0.024887
+O	-2.1598962572	-0.776103465	-1.2797222799	-0.256534
+C	-0.731170462	-0.7129564493	-1.1961795895	-0.048257
+H	 1.3119732345	 1.7108441532	-1.3266689084	 0.103445
+H	 1.7899275212	 2.2804339364	 0.2812808884	 0.104467
+H	-0.5021782749	 1.8055900848	 1.16959578	 0.115674
+H	-1.0705188384	 1.9708903741	-0.5089194519	 0.109728
+H	 1.6329442665	-0.0468566944	 1.1915571933	 0.113303
+H	 1.9110749251	-0.5916063562	-0.4810549613	 0.092262
+H	-0.7083431394	-2.8089968302	 1.0064065086	 0.09663
+H	-2.3677601184	-2.1752785975	 1.1649067275	 0.11889
+H	-1.513376906	-2.8229780082	-1.4196311443	 0.102984
+H	-0.1960868435	-0.5927540469	-2.1342461986	 0.103542
+19
+0 276	3.4086943	1.3980097	1.2644349	0.8843	74.11	-0.24074	0.07226	0.313	1059.1757	0.158133	-422.536466	-422.528801	-422.527856	-422.568935	29.505
+C	 0.0052654447	 1.5433259468	 0.0787949281	-0.069985
+C	-0.2605927867	 0.0374954234	-0.1036605464	-0.356644
+C	 1.277627793	-0.09873658	-0.1095651834	 0.440376
+C	 1.9795891919	-0.6895697063	-1.3454503865	-0.285457
+C	 3.4118260897	-1.0535144809	-0.8855871208	-0.250067
+C	 3.2455814631	-1.3328044671	 0.5957512824	 0.053574
+O	 2.1284619077	-2.1866238131	 0.8913260168	-0.268356
+C	 1.9717407274	-0.7708564917	 1.0590201552	-0.011314
+O	 1.433953581	 1.3459206318	 0.00885273	-0.327854
+H	-0.3559776325	 2.1989584133	-0.722111788	 0.104205
+H	-0.3008990407	 1.9646849566	 1.0442200648	 0.103124
+H	-0.773016492	-0.4658092072	 0.7179623974	 0.11645
+H	-0.7393491634	-0.2369230759	-1.045491085	 0.112419
+H	 1.4441460279	-1.5903730946	-1.6570866799	 0.118196
+H	 1.9618698934	 0.0234852112	-2.1722491769	 0.108151
+H	 3.8278288287	-1.9051157327	-1.4321183238	 0.108385
+H	 4.0976797999	-0.208167719	-1.0119178322	 0.115707
+H	 4.1050803122	-1.4509979316	 1.2502486749	 0.095126
+H	 1.7953235947	-0.4195419531	 2.0725006035	 0.093961
+19
+0 277	3.4285291	1.3380905	1.2099848	2.1103	73.69	-0.24762	0.07234	0.31996	1078.336	0.158366	-422.52912	-422.521474	-422.52053	-422.561757	29.194
+C	-0.3628480358	 1.077299412	-0.0838920074	-0.128633
+O	 0.1496131926	-0.256092267	 0.1187139638	-0.272903
+C	 1.5080154097	 0.1952842385	-0.0272449607	-0.121453
+C	 1.06036026	 1.6784120308	-0.1140106407	 0.28383
+C	 1.4881419159	 2.5262488024	-1.3300255289	-0.309539
+C	 2.7007948687	 3.3669939061	-0.860485833	-0.248781
+C	 2.470728637	 3.5182285242	 0.6307506871	 0.046235
+O	 1.1270114486	 3.8976129626	 0.9643999489	-0.268891
+C	 1.4942446201	 2.51436288	 1.0713485513	-0.017444
+H	-0.9149473171	 1.1652199722	-1.0293908006	 0.097312
+H	-1.0106990035	 1.4030509707	 0.7386201734	 0.10854
+H	 2.1289677303	-0.0787916371	 0.8359612265	 0.098512
+H	 1.9791068772	-0.194562055	-0.9400647614	 0.095273
+H	 1.7121971876	 1.9106360177	-2.2050066533	 0.102432
+H	 0.6648138831	 3.1927842747	-1.6002866512	 0.122188
+H	 3.6468484283	 2.8351810502	-1.0202566887	 0.105875
+H	 2.7727050197	 4.3275245692	-1.3793329848	 0.11299
+H	 3.2421926292	 3.9175291932	 1.2842231425	 0.095603
+H	 1.4703493286	 2.0988497445	 2.0765515771	 0.098855
+19
+0 278	2.4975039	2.0296059	1.5244118	2.3762	73.79	-0.24205	0.07172	0.31377	931.4707	0.159437	-422.517361	-422.510382	-422.509437	-422.54835	28.521
+C	-2.4219354039	-1.6376604941	-0.7422831651	-0.226435
+C	-1.2379916221	-2.4924637351	-0.2201130826	 0.129348
+C	-0.3445894084	-1.2229531836	-0.3372594228	-0.268365
+C	-1.6497292095	-0.3692012375	-0.2851877835	-0.057349
+C	-1.9828105714	 0.060815984	 1.1371760882	 0.040605
+O	-3.0944782275	-0.5573657813	 1.8095584442	-0.248691
+C	-1.7799223603	-0.8216279913	 2.2940366368	 0.046771
+C	-1.2149537353	-2.2311368012	 2.2243689437	-0.117039
+O	-1.4797449145	-3.0087188354	 1.0807986697	-0.266201
+H	-2.5039084991	-1.6806081233	-1.8316738115	 0.094058
+H	-3.3894402449	-1.8299052171	-0.28012941	 0.126568
+H	-0.945494316	-3.3569472221	-0.8218020028	 0.079394
+H	 0.4230019757	-1.0412079916	 0.4182777733	 0.102277
+H	 0.1239715064	-1.1899598846	-1.3243312501	 0.105206
+H	-1.6944213496	 0.4964648893	-0.9498242636	 0.065527
+H	-1.9150133045	 1.1337415054	 1.3201096436	 0.089513
+H	-1.5548930756	-0.3538877202	 3.2571826317	 0.089369
+H	-0.130836881	-2.146323798	 2.4138947713	 0.094493
+H	-1.6327778985	-2.8119049624	 3.0549072295	 0.120951
+19
+0 279	2.5053354	1.9956511	1.5007282	3.1556	73.36	-0.24653	0.06754	0.31407	942.1943	0.159739	-422.526575	-422.519578	-422.518634	-422.557665	28.332
+C	-0.402146965	-0.1291574327	-2.94318152	-0.29026
+C	-1.0253907794	-1.4365337226	-2.3945075065	 0.109344
+C	-2.3591042354	-1.9000050561	-2.9824148395	-0.209149
+C	-3.2658657111	-0.8170109424	-3.599390624	-0.26073
+C	-3.4472858006	 0.5024355187	-2.8703008206	 0.07121
+O	-3.6025657894	 0.5358968354	-1.4505837199	-0.241033
+C	-2.4396356474	 1.1469953741	-2.0126876604	 0.039552
+C	-1.0888297802	 0.5008687384	-1.7083168573	 0.065153
+O	-1.239637383	-0.7968102634	-1.1099475587	-0.267367
+H	 0.6862533752	-0.12673057	-2.8663756961	 0.11149
+H	-0.7029015359	 0.2226805204	-3.9312181682	 0.104533
+H	-0.3459887297	-2.2894359336	-2.2896969519	 0.078155
+H	-2.1736761376	-2.6588513962	-3.7526708472	 0.09479
+H	-2.8863419402	-2.4037439805	-2.1649403954	 0.128288
+H	-2.899540991	-0.5589846549	-4.6027322594	 0.10666
+H	-4.2594845157	-1.2541216531	-3.7596037859	 0.111336
+H	-4.1369643399	 1.1707682276	-3.3930646765	 0.085161
+H	-2.4392557481	 2.2380145676	-1.9668867964	 0.085561
+H	-0.4840238757	 1.1644411833	-1.0813729862	 0.077309
+19
+0 280	2.656996	1.9872595	1.4710192	2.3876	74.17	-0.24442	0.07068	0.3151	941.532	0.159464	-422.516252	-422.509266	-422.508322	-422.547283	28.483
+C	 3.1327201713	 0.3136846085	-1.9524440517	-0.319843
+C	 2.4806633327	-0.1134489253	-0.6648641871	 0.096603
+O	 1.4280272993	-1.0246253989	-0.7936504752	-0.235764
+C	 0.1664541452	-0.6696939892	-0.2683128931	-0.096114
+C	-0.4433605097	 0.5910890895	-0.932980794	 0.0898
+C	 0.0351790681	 1.9485947411	-0.3797936111	-0.2653
+C	 1.0232807785	 1.8740507101	-1.5625722161	 0.073028
+O	 0.1978281558	 0.8672450049	-2.2026499578	-0.278026
+C	 2.3631423108	 1.3216555217	-1.1349338077	-0.050734
+H	 4.2124616223	 0.3932054069	-2.0084125511	 0.109272
+H	 2.6395727405	-0.0566763282	-2.8441180853	 0.13864
+H	 3.1134712504	-0.3026963246	 0.202391636	 0.08443
+H	-0.4657660889	-1.5397979917	-0.4695441597	 0.112677
+H	 0.1979147752	-0.5249583985	 0.824564128	 0.087012
+H	-1.5258162058	 0.467774032	-1.0438998179	 0.080417
+H	-0.7141463848	 2.7344477024	-0.4925356261	 0.106826
+H	 0.456316782	 1.9724558502	 0.6277717968	 0.099882
+H	 1.130813848	 2.7617356892	-2.1950946242	 0.079302
+H	 2.952570279	 2.0413135299	-0.5695909124	 0.087891
+19
+0 281	2.7696291	1.678047	1.2336143	1.5021	73.58	-0.24508	0.07623	0.32131	1030.8995	0.158856	-422.512275	-422.504821	-422.503877	-422.543994	29.639
+C	-1.9235497557	-1.5993260773	 0.9600101844	-0.310926
+C	-1.305473092	-0.3097035195	 1.4622525326	-0.043982
+C	 0.1935170565	-0.0452532762	 1.491597917	-0.274532
+C	 0.9853683041	-0.5843193226	 0.3103894189	 0.047186
+O	 1.7525980365	 0.3674451594	-0.4434110651	-0.259174
+C	 0.6187175706	-0.2365209657	-1.0672487943	 0.050719
+C	-0.6098018301	 0.6222298918	-1.3024908783	-0.121018
+O	-1.7811821583	-0.1467794064	-1.085337165	-0.252788
+C	-2.2035476801	-0.3041972371	 0.2416017314	 0.107752
+H	-1.2690465065	-2.283251446	 0.4299384382	 0.11983
+H	-2.7079729766	-2.0787433117	 1.5354681655	 0.11033
+H	-1.7973058298	 0.1123262093	 2.3360461963	 0.092313
+H	 0.3710566451	 1.0346014951	 1.5428403765	 0.122514
+H	 0.6010331279	-0.4660864867	 2.4185615299	 0.107396
+H	 1.5046224588	-1.5287299183	 0.4693628833	 0.097387
+H	 0.8591195026	-0.9410981085	-1.8638515684	 0.094657
+H	-0.5739386195	 1.5073880225	-0.6562709539	 0.108378
+H	-0.656972257	 0.9608128382	-2.3422498511	 0.109628
+H	-3.1865181564	 0.1392303995	 0.3897969321	 0.094328
+19
+0 282	2.9234478	1.7311005	1.2672909	1.8793	75.24	-0.23705	0.07614	0.31319	1017.3824	0.158464	-422.504821	-422.497503	-422.496559	-422.53626	29.573
+C	 0.2968222572	-2.2784159439	-2.601803679	-0.30871
+C	-0.338515413	-0.9962552691	-2.1055341347	-0.054322
+C	 0.405189212	 0.3320632567	-2.0839533381	-0.10348
+O	 1.609601046	 0.3335331449	-1.3317076441	-0.241917
+C	 1.3633337958	 0.2908192306	 0.038471016	 0.087486
+C	 2.3598758195	-0.455609634	 0.8780162991	-0.347402
+C	 0.9989618639	-1.0506194976	 0.6315139787	 0.074672
+O	 0.9936939194	-2.1262382879	-0.2541394296	-0.245848
+C	-0.0767181519	-2.1463004838	-1.1560600209	 0.103895
+H	-0.2695800176	-2.9387371796	-3.2489195768	 0.109467
+H	 1.3642854517	-2.2432009156	-2.7925173246	 0.13173
+H	-1.3876027059	-0.8704932644	-2.3658228262	 0.087906
+H	 0.6920315697	 0.6197001538	-3.1014549382	 0.110607
+H	-0.2708429937	 1.1133698797	-1.7006947855	 0.089447
+H	 0.8967727995	 1.189620046	 0.4450977453	 0.082923
+H	 3.1750609632	-0.9250978057	 0.3399753943	 0.13763
+H	 2.6017490432	-0.0753850844	 1.8636253511	 0.115052
+H	 0.2753389452	-1.102741231	 1.4448850892	 0.083817
+H	-0.9474077241	-2.6882102746	-0.7867736459	 0.087047
+19
+0 283	2.527587	1.7988546	1.2906087	0.2296	74.07	-0.25797	0.08044	0.33841	1016.1823	0.159083	-422.528925	-422.521405	-422.520461	-422.561009	29.351
+C	-0.4375958881	 1.3231253961	-0.7604439721	-0.247732
+C	-0.3454462503	 0.3440044559	-1.9336371087	-0.247662
+C	 0.7657643362	-0.6771346585	-1.8403207897	 0.058186
+O	 1.2633677148	-1.0114719875	-0.5360304728	-0.260738
+C	 2.1669108694	-0.421239646	-1.4794093306	 0.068618
+C	 2.8483999956	 0.8847903123	-1.1343951783	-0.282149
+C	 2.0870155661	 2.1681938926	-0.8847272194	 0.068601
+O	 1.2964057253	 2.7309737119	-1.939665093	-0.260708
+C	 0.6433598603	 2.3792239378	-0.7107174491	 0.058154
+H	-1.4027582972	 1.839010183	-0.8253129494	 0.102183
+H	-0.4363446419	 0.7718791971	 0.1859334084	 0.127325
+H	-1.2939521548	-0.2024916286	-1.9934724578	 0.102193
+H	-0.2388521727	 0.896813558	-2.873072554	 0.127302
+H	 0.602200196	-1.5516584535	-2.4748829844	 0.085004
+H	 2.88869372	-1.1438634586	-1.8701677362	 0.088371
+H	 3.4614299418	 0.6960915444	-0.2418613245	 0.119842
+H	 3.5670359872	 1.0944156178	-1.9391712784	 0.119837
+H	 2.7284806115	 2.9126004893	-0.4049054169	 0.088365
+H	 0.3707821007	 3.2472495864	-0.1053821333	 0.085008
+19
+0 284	2.4791263	2.2091046	1.5398469	1.5156	73.74	-0.24237	0.07906	0.32143	916.5152	0.160097	-422.545423	-422.538625	-422.537681	-422.576154	28.308
+C	 0.6009497513	 0.2511141477	-3.2400376923	-0.413919
+C	-0.6307231117	-0.4363422358	-2.6663452751	-0.05377
+C	-2.0154415708	 0.1738029949	-2.508992942	-0.230305
+C	-2.2955616304	 0.329924084	-0.9875081079	-0.238639
+C	-1.0297995712	 0.8699558138	-0.2661215188	 0.208126
+O	-0.25237545	-0.1772024956	 0.3449503667	-0.290737
+C	 0.8556917156	-0.4484630571	-0.5369063542	-0.156638
+C	 0.3716467231	 0.2583942776	-1.7738455691	 0.3838
+O	-0.1735701015	 1.4511762578	-1.2301007125	-0.268862
+H	 1.3766130085	-0.3882656771	-3.6473516438	 0.122924
+H	 0.4927047202	 1.2072946153	-3.7421391001	 0.129356
+H	-0.5893635098	-1.5222493036	-2.6654890481	 0.090078
+H	-2.0607105908	 1.1550107611	-2.9883932424	 0.112357
+H	-2.783484642	-0.4472865228	-2.9778976739	 0.098427
+H	-3.1343442091	 1.0146706406	-0.822858183	 0.097609
+H	-2.5662008262	-0.6309171822	-0.5395664556	 0.11235
+H	-1.2616647824	 1.6141937885	 0.4998299145	 0.087888
+H	 1.7775021996	-0.0231559423	-0.1204090425	 0.102621
+H	 0.9694324976	-1.5290031448	-0.66030391	 0.107334
+19
+0 285	2.4697122	2.193802	1.5617845	2.7025	73.66	-0.25273	0.08377	0.3365	908.1312	0.160651	-422.539313	-422.532669	-422.531725	-422.569825	28.042
+C	-0.7819807789	-1.2192378641	 0.1550434642	-0.420153
+C	-0.7175399628	-0.5677835627	-1.2119171594	-0.033046
+C	 0.2183850221	-0.8187963031	-2.3718947212	-0.111192
+O	 1.0352081782	 0.3528084012	-2.5814583963	-0.278846
+C	 1.5013916704	 0.9905861984	-1.4018332684	 0.251429
+C	 1.530682504	 0.0020788413	-0.2415582777	-0.323673
+C	 0.0194885742	 0.0280752626	-0.024150957	 0.292452
+C	-0.2186808373	 1.5101128495	 0.1217538666	-0.143213
+O	 0.6241661265	 2.0297222562	-0.9358225379	-0.285236
+H	-1.7437082398	-1.1793533862	 0.6561767937	 0.122842
+H	-0.224284425	-2.1305623798	 0.3508297997	 0.118449
+H	-1.6193280284	-0.0279232424	-1.4862479046	 0.098774
+H	 0.8518221063	-1.7009585764	-2.2081066897	 0.095643
+H	-0.315469023	-0.9696999492	-3.3130164881	 0.112901
+H	 2.4376346681	 1.4771821435	-1.6792652688	 0.087583
+H	 1.9508084283	-0.9697537558	-0.4993809178	 0.109724
+H	 2.0722182376	 0.405479885	 0.6191872348	 0.106249
+H	-1.2531912932	 1.8158278635	-0.0601749063	 0.105944
+H	 0.1116576827	 1.9230082085	 1.085162174	 0.093366
+19
+0 286	2.4640375	2.2441319	1.5526636	1.6507	73.61	-0.24022	0.08019	0.32041	912.2535	0.160054	-422.546133	-422.53931	-422.538366	-422.576912	28.399
+C	 2.2573571227	 1.0236932934	-2.2783975513	-0.410845
+C	 0.9790688271	 0.1932139679	-2.33141602	-0.093355
+C	-0.4055119702	 0.7281036639	-2.6410300294	-0.087642
+O	-1.2127134907	 0.6929773199	-1.4470774085	-0.292148
+C	-0.5340593267	 1.1904518983	-0.2941314674	 0.205651
+C	 0.0217152283	 0.0461303923	 0.6107345012	-0.244105
+C	 1.5311609398	-0.030343676	 0.209908179	-0.3061
+C	 1.4688748958	 0.8132945929	-1.0406114764	 0.427939
+O	 0.6204271337	 1.9025179638	-0.6886130357	-0.273723
+H	 3.1884492384	 0.482553014	-2.405135312	 0.122567
+H	 2.2561094118	 2.0282906209	-2.6885700972	 0.129208
+H	 1.1170286701	-0.8781088296	-2.4404358497	 0.091506
+H	-0.358702593	 1.7493909836	-3.0360035434	 0.104341
+H	-0.9395859606	 0.105933326	-3.3622863864	 0.108241
+H	-1.2158363174	 1.8731425701	 0.2192486328	 0.08471
+H	-0.1068733208	 0.2919099371	 1.6675809416	 0.105334
+H	-0.5147934941	-0.8815817461	 0.4047216403	 0.115313
+H	 2.1683884607	 0.4208184672	 0.9764617867	 0.107867
+H	 1.8765089052	-1.0491678494	 0.023839916	 0.105241
+19
+0 287	2.4074554	2.2474349	1.5642953	1.0768	73.75	-0.23168	0.08535	0.31703	907.3731	0.159944	-422.526899	-422.520164	-422.51922	-422.557473	28.446
+C	 2.421901812	 0.6881925889	-2.285334974	-0.41896
+C	 1.1230461739	-0.1097760881	-2.1383707477	-0.073756
+C	-0.3001594075	 0.2009776724	-2.5283896674	-0.112631
+O	-1.0909866177	 0.3395112159	-1.3229876774	-0.291204
+C	-0.4576628771	 1.0532523189	-0.2494264769	 0.09284
+C	 0.4170769924	 0.1355042104	 0.6698466964	-0.097958
+O	 1.7882119793	 0.2666039354	 0.207259184	-0.311816
+C	 1.5999635971	 0.8391061837	-1.0624158757	 0.438783
+C	 0.6274652305	 1.9776986777	-0.8107249414	-0.303072
+H	 3.3247893379	 0.0890989165	-2.2490781564	 0.131936
+H	 2.4799595132	 1.5437311826	-2.9520134915	 0.119674
+H	 1.3042462614	-1.1510975748	-1.8889316307	 0.103204
+H	-0.3761149897	 1.1069848641	-3.1445307202	 0.095472
+H	-0.7767535529	-0.611312643	-3.0823204213	 0.111081
+H	-1.2651230577	 1.5324942643	 0.3084448091	 0.082347
+H	 0.3834574284	 0.450336393	 1.7172767118	 0.106757
+H	 0.08327642	-0.9046477993	 0.5876248496	 0.108708
+H	 1.0259970331	 2.6638089546	-0.058723159	 0.10833
+H	 0.3092683134	 2.5445653467	-1.6850659712	 0.110266
+19
+0 288	2.4715524	2.2004654	1.5662528	1.0906	73.92	-0.23673	0.08725	0.32398	905.9425	0.160197	-422.529725	-422.523028	-422.522084	-422.560284	28.145
+C	 0.0227634167	 1.4719500511	-0.038968326	-0.432893
+C	 1.3326375668	 0.7278596967	 0.0020547759	 0.09892
+O	 2.140148465	 0.4580267763	-1.1041891696	-0.258514
+C	 2.3809127444	-0.962874859	-1.1396899831	-0.085931
+C	 1.0790488148	-1.7814112492	-0.90439473	 0.095772
+C	-0.0861901118	-0.8624563177	-1.2644144051	-0.277338
+C	 0.0300741648	-0.0324980301	 0.0117705729	 0.261399
+C	-0.0194219243	-1.1022213951	 1.0722012062	-0.145531
+O	 0.8563113537	-2.1006318841	 0.4928350554	-0.293838
+H	-0.2233439268	 2.0489970136	 0.8466995154	 0.121482
+H	-0.3145104081	 1.9158393013	-0.9697102245	 0.125947
+H	 1.8783878825	 0.7803924286	 0.9457705552	 0.085233
+H	 2.7882220243	-1.1679365445	-2.134521034	 0.107327
+H	 3.126711451	-1.2440795111	-0.3828740531	 0.105093
+H	 1.1327345866	-2.7339731763	-1.4376494704	 0.078738
+H	 0.0751773621	-0.2944704612	-2.1795766252	 0.11696
+H	-1.0394234154	-1.3953910034	-1.3222858023	 0.101565
+H	 0.3867527527	-0.789999993	 2.0396309118	 0.102815
+H	-1.0168959289	-1.535268603	 1.2293952405	 0.092796
+19
+0 289	2.4725241	2.2232057	1.5491702	2.0464	73.97	-0.23344	0.07201	0.30545	914.6356	0.159792	-422.532086	-422.525246	-422.524302	-422.562927	28.332
+C	 2.795685874	 1.3119189704	-2.0048285445	-0.424237
+C	 2.332099008	 1.9544883203	-0.7115658352	 0.051111
+O	 1.4992096767	 3.0714997853	-0.7056900443	-0.240592
+C	 0.2601950337	 2.7560436787	-0.0594958287	-0.087781
+C	-0.2752712862	 1.3561482544	-0.5095807131	 0.060568
+C	 0.1250783799	 0.1471413539	 0.3998949598	-0.232831
+C	 1.3947263339	-0.4329647806	-0.3087546474	-0.298423
+C	 1.6523453185	 0.7198610447	-1.2496580182	 0.398415
+O	 0.3757058392	 1.0690168709	-1.7487029862	-0.266812
+H	 2.5400823614	 1.7966688031	-2.9401258319	 0.137174
+H	 3.7620114892	 0.8197504942	-1.9830737078	 0.119888
+H	 2.9883531987	 1.8603980563	 0.1550400749	 0.079331
+H	 0.3748337943	 2.7980823062	 1.034873658	 0.08832
+H	-0.4346489583	 3.5449830938	-0.3600738901	 0.112619
+H	-1.3522457836	 1.4062818481	-0.6828939612	 0.082826
+H	 0.3409621252	 0.4672535607	 1.4230510867	 0.102997
+H	-0.6816973865	-0.5878229728	 0.4464703884	 0.108029
+H	 2.2211338337	-0.6204609455	 0.3804564157	 0.102116
+H	 1.1661967181	-1.3601247019	-0.8421632848	 0.107282
+19
+0 290	2.3866483	2.2814485	1.5633693	1.2977	73.66	-0.22609	0.08074	0.30683000000000005	906.5191	0.159877	-422.524069	-422.517334	-422.51639	-422.554679	28.301
+C	-0.0047164737	 1.4514901867	 0.0132661528	-0.428203
+C	 1.3393182204	 0.7330287059	-0.0269353441	 0.051575
+O	 2.1306002034	 0.5074857922	-1.1561158186	-0.25701
+C	 2.3758878429	-0.9121925929	-1.2427673434	-0.081709
+C	 1.090712555	-1.7597992379	-0.9776065429	-0.074162
+C	 0.7775275435	-2.0470481171	 0.5302829594	-0.092045
+O	-0.1064801927	-0.9899386354	 0.9881996498	-0.312403
+C	 0.0580790333	-0.0387541811	-0.0353894664	 0.409805
+C	-0.0863092962	-0.8315095808	-1.3220380804	-0.268819
+H	-0.2122763773	 1.9546244168	 0.9513457869	 0.130551
+H	-0.3986500958	 1.9498728525	-0.8663385426	 0.127584
+H	 1.8863667205	 0.7576358185	 0.9165497441	 0.089158
+H	 2.738230728	-1.0814360334	-2.2610634175	 0.110462
+H	 3.1773271548	-1.192592575	-0.5419299427	 0.094072
+H	 1.1508377893	-2.6906914903	-1.5467237031	 0.074208
+H	 0.2545211425	-2.9990790436	 0.6620777255	 0.109034
+H	 1.6890392531	-2.0593556243	 1.142019341	 0.098233
+H	 0.0669734414	-0.2561879798	-2.2339954379	 0.116479
+H	-1.0505340924	-1.344486211	-1.3569303299	 0.103191
+19
+0 291	2.3748225	2.2149432	1.5426048	1.2552	73.13	-0.24686	0.07233	0.31919	914.8933	0.159999	-422.529769	-422.523038	-422.522094	-422.560372	28.374
+C	 1.5703218093	 1.078602719	-0.3905360655	-0.216331
+C	 0.8050015911	 1.8130263436	 0.7744604607	-0.308095
+C	-0.5091469677	 1.0700864513	 0.6294104231	 0.402556
+C	-0.7910994889	 1.0897611348	-0.8694717735	-0.300817
+C	 0.4781886022	 0.3191345983	-1.2348874058	 0.129678
+O	 0.330371976	-1.0651400587	-0.854497505	-0.291489
+C	-0.6766102754	-1.3372021533	 0.1427060177	-0.126027
+C	-0.5430579018	-0.2740157159	 1.21170916	-0.015211
+O	-1.5305907635	 0.7322792124	 1.5454967553	-0.318414
+H	 2.1090801159	 1.7889169871	-1.0240772791	 0.102812
+H	 2.2943162649	 0.3567722349	-0.0062101134	 0.114794
+H	 1.2776664295	 1.6763651902	 1.7484298842	 0.109521
+H	 0.7129786218	 2.8867261979	 0.5812106154	 0.100994
+H	-1.7200952949	 0.6067878278	-1.1681073	 0.114854
+H	-0.7762829053	 2.1077769807	-1.2706529759	 0.099004
+H	 0.7313799156	 0.3009696759	-2.2969173997	 0.079279
+H	-1.6853138964	-1.3542548325	-0.2884655389	 0.1098
+H	-0.4495992939	-2.3398204812	 0.5120437974	 0.112477
+H	 0.1266615613	-0.4954444423	 2.0400898229	 0.100615
+19
+0 292	2.392523	2.1812884	1.5333034	1.3541	73.16	-0.24981	0.0738	0.32361	918.5491	0.160007	-422.530309	-422.523573	-422.522629	-422.560914	28.353
+C	 0.2842510508	 2.5088257669	 0.4772468363	-0.143903
+O	 0.6271568513	 1.3679466732	 1.2988969071	-0.297867
+C	 1.0560398082	 0.252225753	 0.4527103718	 0.122611
+C	 1.4078858928	 0.9321341892	-0.8685899565	-0.298463
+C	 0.1554315006	 1.7999050603	-0.8541252013	 0.352492
+O	-0.609545383	 2.0309372082	-2.0182842586	-0.316858
+C	-1.098754662	 1.0733341945	-1.041707652	 0.032137
+C	-0.9282442332	-0.4329587529	-1.0788517069	-0.283336
+C	-0.0833779168	-0.779625435	 0.1940529324	-0.209724
+H	-0.6475602004	 2.9495296797	 0.841334794	 0.111275
+H	 1.0835484476	 3.260569932	 0.5198214638	 0.095927
+H	 1.8877297644	-0.2194457319	 0.9807857899	 0.078502
+H	 2.3210814261	 1.5297826967	-0.8015419734	 0.103744
+H	 1.4802141446	 0.2610628025	-1.7223890621	 0.112951
+H	-1.9763977034	 1.4425191253	-0.5134623668	 0.099437
+H	-1.8877604901	-0.9565361534	-1.0615105543	 0.103997
+H	-0.4112006243	-0.7483344271	-1.9886671753	 0.120197
+H	-0.7279707432	-0.7951114047	 1.0787445215	 0.116866
+H	 0.3476167904	-1.7824499364	 0.0952697105	 0.100017
+19
+0 293	2.6740594	2.0639213	1.4864704	1.5521	72.29	-0.24243	0.06546	0.30789	920.0621	0.160804	-422.554986	-422.548299	-422.547355	-422.58615	27.026
+C	 1.1254966465	-0.0249774289	-2.4306034667	-0.276884
+C	 0.0243149855	 1.0730738397	-2.5691013419	-0.042824
+C	-1.4028892235	 0.7103456571	-2.1140326631	-0.098149
+O	-1.5861610305	 1.2518830096	-0.8036260907	-0.261257
+C	-0.3213304009	 1.5101353593	-0.2165126921	 0.075348
+C	 0.3065519645	 0.2640539352	 0.4738616225	-0.115972
+O	 1.6580637313	 0.1697059273	 0.0454837819	-0.255804
+C	 1.7616882357	 0.755817515	-1.236982784	 0.11189
+C	 0.6538724818	 1.8297195613	-1.3644352678	-0.077164
+H	 0.7614249139	-1.0236783386	-2.172494656	 0.105953
+H	 1.7842418599	-0.1112022733	-3.297636897	 0.104812
+H	 0.0338975601	 1.5977072326	-3.5246835361	 0.078048
+H	-2.1780320331	 1.1438168788	-2.7547176337	 0.106464
+H	-1.5468883506	-0.3802234081	-2.1034408711	 0.094591
+H	-0.4600348881	 2.3318400101	 0.4893171929	 0.089011
+H	 0.3090450189	 0.3315961567	 1.5649905248	 0.109606
+H	-0.2736634617	-0.6264250559	 0.1888142393	 0.099199
+H	 2.8016042966	 1.0544985289	-1.3786593481	 0.081844
+H	 0.9202320036	 2.8805617833	-1.464195183	 0.071287
+19
+0 294	2.3557822	2.341566	1.5248853	2.8265	72.21	-0.24902	0.06306	0.31208	911.8498	0.161088	-422.563301	-422.556551	-422.555607	-422.594854	26.8
+C	 2.1364224742	-0.9930300118	 2.5598881751	-0.254366
+C	 2.1870359099	-1.8710513568	 1.2763469528	-0.039192
+C	 2.7254815463	-1.1861558846	 0.0005048143	-0.102495
+O	 1.6237419321	-1.022823694	-0.8910731276	-0.254981
+C	 0.404648607	-0.9859133308	-0.1815579465	 0.202711
+O	-0.0288678413	 0.3137767151	 0.1557666048	-0.254864
+C	 0.424084817	 0.677423142	 1.4588421217	-0.102544
+C	 0.6558911551	-0.631235608	 2.2465615894	-0.039072
+C	 0.6455695618	-1.7255155433	 1.1431726518	-0.081942
+H	 2.2325122119	-1.5875623498	 3.4712906509	 0.104694
+H	 2.8449029615	-0.1597221663	 2.6130557356	 0.097434
+H	 2.5877916044	-2.8775007224	 1.4023219237	 0.076887
+H	 3.1792716751	-0.2117085285	 0.2330569471	 0.095742
+H	 3.4777574905	-1.7877380436	-0.5185938277	 0.1071
+H	-0.3530211158	-1.3971980061	-0.8523596149	 0.089702
+H	 1.3475275175	 1.2710698593	 1.3927988765	 0.095731
+H	-0.3474028237	 1.3112098199	 1.9064633251	 0.107128
+H	-0.047651204	-0.7435103786	 3.0722972184	 0.076872
+H	 0.0267889205	-2.6079875517	 1.2943717595	 0.075455
+19
+0 295	2.6761962	2.0901641	1.5131542	1.5782	72.86	-0.24338	0.07061	0.31399	912.4582	0.160796	-422.558028	-422.551431	-422.550486	-422.588868	27.012
+C	-0.6764287295	 0.0139675059	 0.572359573	-0.269759
+C	 0.6824091253	 0.5928579823	 1.0874495874	 0.094197
+O	 1.8592709092	 0.191060222	 0.4205936562	-0.253043
+C	 1.886556834	 0.8163810295	-0.8567273503	-0.101052
+C	 1.13195169	 2.1673064032	-0.7339663999	-0.055922
+C	 0.0565708553	 2.343937736	-1.8116604848	-0.094333
+O	-1.0093200143	 1.4819605253	-1.4226749175	-0.268865
+C	-1.0508766858	 1.4109407238	-0.0006411397	 0.099036
+C	 0.2840719788	 1.9912023342	 0.5405679117	-0.078759
+H	-0.5963143898	-0.7713633378	-0.1816238726	 0.114424
+H	-1.3319669493	-0.3262646975	 1.3779812516	 0.101003
+H	 0.8567380935	 0.4823805237	 2.159140354	 0.081878
+H	 2.9349341083	 0.9336005747	-1.1441458655	 0.10746
+H	 1.3922571654	 0.1816909959	-1.6070998991	 0.101368
+H	 1.8194958682	 3.0132099209	-0.6775268332	 0.079057
+H	-0.279541118	 3.3915597313	-1.861949484	 0.090362
+H	 0.3804845628	 2.0404633498	-2.8128733681	 0.109479
+H	-1.9836760099	 1.8460880936	 0.3715339515	 0.074057
+H	 0.2614494958	 2.8472811732	 1.2130023795	 0.069411
+19
+0 296	2.6181571	2.1700004	1.5449153	2.0616	73.37	-0.24747	0.07592	0.32339	907.9962	0.160698	-422.565001	-422.558402	-422.557458	-422.595837	26.978
+C	-0.6024432011	 1.0226843315	-1.6853389766	-0.233717
+C	-0.2161163098	 1.3860194926	-0.2298873545	-0.22349
+C	 0.9405715067	 0.4422869241	 0.1110385746	 0.116036
+O	 0.3982105691	-0.8571120673	 0.3866004423	-0.276113
+C	 1.1813557866	-1.848674655	-0.2596201612	-0.101494
+C	 1.6959112868	-1.1971553576	-1.5334438645	 0.116286
+O	 0.6601260617	-0.985042989	-2.5178721495	-0.313742
+C	 0.6848121649	 0.4559503932	-2.3171438199	 0.13424
+C	 1.7415037308	 0.3057300557	-1.1990694349	-0.146928
+H	-1.3634658113	 0.2390870407	-1.7060606391	 0.127217
+H	-0.9912022939	 1.8842920483	-2.2345507564	 0.095647
+H	 0.1411633816	 2.4213138387	-0.1753265167	 0.095839
+H	-1.0413175383	 1.2821990595	 0.4789547739	 0.113296
+H	 1.5458691649	 0.7821240271	 0.9617487212	 0.065109
+H	 2.0339988637	-2.1637119717	 0.3663136348	 0.08438
+H	 0.5434640131	-2.7161947452	-0.4520649293	 0.118502
+H	 2.5781155687	-1.6831331147	-1.9618342404	 0.07674
+H	 0.9885596946	 0.9639019464	-3.2379353571	 0.074557
+H	 2.6771786912	 0.8585926826	-1.2494362967	 0.077634
+19
+0 297	2.6057835	2.106359	1.8345267	1.2065	72.86	-0.23745	0.08091	0.31836	862.3263	0.161229	-422.555035	-422.548685	-422.54774	-422.585352	26.768
+C	 2.1843078239	 1.3743307619	-0.5453962069	-0.244489
+C	 2.3371070706	 1.8836676927	 0.9166334096	-0.094959
+C	 3.3039592996	 0.9513235062	 1.6456745435	-0.082901
+O	 3.1441542896	-0.3936632054	 1.1833724862	-0.272911
+C	 1.7951176559	-0.7247866426	 0.8800390242	 0.080551
+C	 0.9170955548	-0.7063625369	 2.1395001291	-0.097448
+O	 0.6037701208	 0.6736494286	 2.3681862956	-0.275747
+C	 0.8703848286	 1.3774353349	 1.1689494174	 0.140419
+C	 1.1348975458	 0.3890845841	 0.0175212511	-0.082611
+H	 1.7262256399	 2.1166669099	-1.2029504046	 0.100245
+H	 3.0716675358	 0.9530934835	-1.0220302379	 0.110387
+H	 2.5703754004	 2.9337612718	 1.1043271374	 0.067594
+H	 4.3445610378	 1.2186336394	 1.4351969584	 0.105737
+H	 3.1405200989	 1.0110036659	 2.7306929909	 0.107033
+H	 1.8254560799	-1.7043953987	 0.3975997775	 0.084521
+H	-0.0075909538	-1.2831972264	 1.9898434007	 0.094389
+H	 1.4472051938	-1.1065377959	 3.0088135197	 0.115438
+H	 0.105538305	 2.1417060416	 1.0167218358	 0.076818
+H	 0.3180626726	 0.0175957955	-0.6042178775	 0.067935
+19
+0 298	2.6241969	2.1043585	1.8091753	2.5243	72.71	-0.25156	0.07907	0.33063	864.9112	0.161566	-422.562289	-422.555986	-422.555042	-422.592616	26.549
+C	 2.08415738	 1.2980507024	-0.6605775267	-0.231551
+C	 2.3323349074	 1.8595898419	 0.7693863154	-0.068824
+C	 3.3397653212	 0.9322367819	 1.452145284	-0.09054
+O	 3.1036840541	-0.4243457493	 1.0687775604	-0.260213
+C	 1.7317730261	-0.7057216804	 0.8956301908	 0.218046
+O	 1.0292026397	-0.687890186	 2.1249994098	-0.267941
+C	 0.5754241489	 0.6463177718	 2.3954405474	-0.111831
+C	 0.8598273037	 1.4322103008	 1.1221632629	-0.032264
+C	 1.0487202493	 0.3707437638	 0.0112889034	-0.0781
+H	 1.6018975329	 2.0286202675	-1.3143535792	 0.098378
+H	 2.9299884231	 0.8368801031	-1.175867937	 0.106733
+H	 2.6074876458	 2.9090281654	 0.8957834081	 0.067777
+H	 4.359748539	 1.167826991	 1.1308058498	 0.108229
+H	 3.3000491173	 1.0317362628	 2.5465372496	 0.102593
+H	 1.6872181171	-1.7254323011	 0.5099516117	 0.091752
+H	-0.4986917142	 0.6106349673	 2.6153510934	 0.101982
+H	 1.089859187	 1.0435346177	 3.2803030363	 0.101534
+H	 0.1353406358	 2.2201585619	 0.9121057235	 0.074955
+H	 0.195772426	-0.0236202526	-0.5436343037	 0.069283
+19
+0 299	2.6208622	2.0706287	1.8222429	2.3706	72.87	-0.23033	0.08092	0.31125	867.9235	0.161262	-422.549379	-422.543025	-422.542081	-422.579729	26.748
+C	 1.4953862165	 0.9347637298	-0.8645408163	-0.283355
+C	 0.8442412758	 1.4860485722	 0.4345671554	 0.072172
+O	 1.7262771905	 1.4182474859	 1.54009106	-0.263387
+C	 2.5726659257	 0.2718785445	 1.4924657697	-0.077793
+C	 1.8396076998	-0.9409213675	 0.8980787892	-0.079826
+C	 0.6897894903	-1.3852614857	 1.8190707972	-0.069003
+O	-0.3695599978	-0.4507429861	 1.5954123792	-0.26437
+C	-0.0971846854	 0.2182665156	 0.3910414882	 0.137063
+C	 1.060478239	-0.4685491235	-0.3674813063	-0.080867
+H	 0.9268645456	 1.2314743748	-1.7495557581	 0.106032
+H	 2.5527331	 1.1446869692	-1.036474452	 0.107014
+H	 0.4011590871	 2.4828468038	 0.4438355829	 0.07815
+H	 3.4716715679	 0.4883326012	 0.8975300834	 0.093498
+H	 2.8964883468	 0.0824739119	 2.5206149207	 0.10693
+H	 2.5493105146	-1.7492744481	 0.7006365038	 0.075081
+H	 0.3479910135	-2.4011629485	 1.5710644437	 0.090509
+H	 0.9617321733	-1.363484699	 2.8796233236	 0.107092
+H	-1.0216764832	 0.3924964953	-0.165066378	 0.077237
+H	 0.8630747201	-1.2686560059	-1.0832339263	 0.067822
+19
+0 300	2.6468919	2.0498681	1.8207938	1.876	72.89	-0.23607	0.0807	0.31677	866.986	0.161363	-422.551272	-422.544945	-422.544001	-422.581568	26.731
+C	 1.8119167747	-2.9989969945	 3.3314921125	-0.266598
+C	 0.8677645122	-3.1880895657	 2.1142035421	 0.109841
+O	 1.5196288392	-2.9011626304	 0.886880295	-0.272853
+C	 2.4559686885	-1.8275703466	 1.0088791998	-0.097637
+C	 1.9689535703	-0.7816147977	 2.0205224486	 0.084531
+O	 0.8672780033	-0.0464843805	 1.4906303854	-0.271398
+C	-0.3086335295	-0.8572021813	 1.6209899755	-0.100804
+C	 0.0602954945	-1.9404530581	 2.6286631808	-0.051904
+C	 1.4076218717	-1.5045220158	 3.2719948006	-0.060027
+H	 1.4026278139	-3.4826781968	 4.2219020256	 0.104162
+H	 2.8612441374	-3.2835066136	 3.2227123719	 0.102564
+H	 0.3456726136	-4.1362959194	 1.9757045623	 0.077988
+H	 3.4414164369	-2.2113424376	 1.3119407265	 0.091892
+H	 2.5536336613	-1.3784780795	 0.0173053432	 0.11705
+H	 2.7646419377	-0.062340385	 2.2342927387	 0.081125
+H	-1.1244173217	-0.2177796796	 1.9759113534	 0.100289
+H	-0.5891314998	-1.2804120314	 0.6481165581	 0.107001
+H	-0.7324214782	-2.2127499243	 3.3267153723	 0.075012
+H	 1.425737714	-0.8881989422	 4.1719569977	 0.069768
+19
+0 301	2.6173912	2.0524466	1.785911	2.3218	72.52	-0.2313	0.07083	0.30213	875.6968	0.16094	-422.55	-422.543537	-422.542593	-422.580555	26.94
+C	-0.95422169	-0.9052673757	 1.0243066478	-0.255876
+C	-1.276869804	 0.247684251	 2.0189377546	-0.222463
+C	-0.2918716839	 1.3704153673	 1.6506000909	 0.086498
+O	 1.0113350305	 1.1170912645	 2.1716855668	-0.270604
+C	 1.7841114096	 0.1596373079	 1.4538025533	-0.079823
+C	 1.324491224	 0.0998914549	 0.0045837544	 0.048382
+O	 1.0887634264	 1.4782176025	-0.4032865234	-0.289769
+C	-0.2543589252	 1.3175356832	 0.0950108786	 0.074539
+C	-0.203061102	-0.2075864507	-0.1179822692	-0.032786
+H	-0.3515832091	-1.6898428342	 1.4930549558	 0.107525
+H	-1.8647797891	-1.3883139036	 0.6600873377	 0.100908
+H	-2.3044889768	 0.599051932	 1.8665618763	 0.100188
+H	-1.1788114329	-0.0334287004	 3.0699598159	 0.110328
+H	-0.5810059319	 2.3437688331	 2.0543636858	 0.081337
+H	 2.82465296	 0.4985248874	 1.503902815	 0.114267
+H	 1.7285530782	-0.8344860089	 1.9254327782	 0.089847
+H	 2.0271928411	-0.4258136666	-0.6476300283	 0.079952
+H	-0.9833215114	 1.9631514356	-0.4006044354	 0.07872
+H	-0.4602426434	-0.5459100592	-1.1218303149	 0.078829
+19
+0 302	2.5871701	2.0625667	1.8202716	1.1052	72.1	-0.23922	0.07761	0.31683	869.424	0.161254	-422.55798	-422.551584	-422.55064	-422.588394	26.829
+C	 2.6136671362	 0.8575611396	 1.6599903035	-0.082352
+O	 2.464705133	-0.1718132538	 0.6663831928	-0.268684
+C	 1.4602212384	 0.2402861978	-0.2254148105	 0.095216
+C	-0.0303624563	-0.1127345469	 0.0989888871	 0.056981
+C	-0.2075990926	-0.3930970342	 1.5901654571	-0.223699
+C	 0.1612026441	 0.9010765621	 2.3575593175	-0.199927
+C	 1.3013388134	 1.6562567697	 1.6397588266	-0.084189
+C	 0.9732244465	 1.6522481114	 0.114124286	 0.066757
+O	-0.3934908708	 1.2792118362	-0.1667562512	-0.30402
+H	 2.811598436	 0.3796552602	 2.6246070568	 0.109569
+H	 3.4779033769	 1.4892558178	 1.4064617197	 0.096425
+H	 1.7519756248	 0.0352375497	-1.2568788978	 0.086376
+H	-0.5621318152	-0.8022330403	-0.5609334206	 0.07528
+H	-1.238692043	-0.6850356789	 1.8113584594	 0.100223
+H	 0.4425084529	-1.2279105757	 1.8731042019	 0.114986
+H	-0.715104855	 1.553380983	 2.3796353589	 0.114748
+H	 0.4337229306	 0.6844422881	 3.3951120347	 0.092462
+H	 1.432828409	 2.6589905939	 2.0540372506	 0.073721
+H	 1.2929700811	 2.5381117404	-0.4381399023	 0.080127
+19
+0 303	2.6052162	2.0451045	1.7858261	1.1811	72.15	-0.23407	0.0792	0.31327	874.2882	0.161324	-422.556295	-422.549883	-422.548939	-422.586771	26.819
+C	-0.977739112	-0.8491270084	 0.9733073443	-0.104403
+O	-1.2252672546	 0.1737119621	 1.9459336166	-0.277306
+C	-0.3897194543	 1.3018015468	 1.6692206431	 0.071391
+C	 1.0133008745	 1.1289445497	 2.2728943064	-0.204148
+C	 1.8124413632	 0.0599850031	 1.4829725944	-0.231391
+C	 1.3449212977	 0.1109924369	 0.0272165682	 0.08227
+O	 1.1095738695	 1.5142242365	-0.3109025758	-0.303307
+C	-0.258031436	 1.3321888669	 0.1179576814	 0.080742
+C	-0.18321954	-0.1805572818	-0.1369559468	-0.064339
+H	-0.4490580282	-1.696222308	 1.4323019634	 0.097873
+H	-1.9445796956	-1.2178980284	 0.6108432908	 0.104395
+H	-0.8979130028	 2.1736228431	 2.0886615263	 0.079621
+H	 1.5349297544	 2.087618104	 2.2030581578	 0.112254
+H	 0.9277777886	 0.8706932074	 3.3314649371	 0.102399
+H	 2.8852492208	 0.2686726105	 1.5385313007	 0.104758
+H	 1.6634911927	-0.9453748746	 1.8930517555	 0.106082
+H	 2.0296523247	-0.366440149	-0.6780259723	 0.076772
+H	-0.9604965182	 1.9868695353	-0.4006422982	 0.081178
+H	-0.4382698246	-0.506707002	-1.144807413	 0.085158
+19
+0 304	2.804844	1.7814279	1.3766319	0.9003	73.6	-0.24705	0.07386	0.32091	979.0657	0.159871	-422.525394	-422.518248	-422.517304	-422.557015	28.397
+C	-0.7053842007	 0.2279235883	 2.9279889072	-0.304703
+C	 0.1614203831	 1.4387657882	 2.6972436951	-0.029757
+C	-0.3588673496	 2.5746553845	 1.8405366463	-0.11184
+O	-1.1509764304	 2.1231367611	 0.748770984	-0.263713
+C	-0.5376551938	 1.1919126588	-0.1071799832	 0.061174
+C	 0.7838593452	 1.5568383364	-0.8238633538	-0.110474
+O	 1.4624254447	 0.4334454864	-0.2291637877	-0.296616
+C	 0.2877916219	 0.0385526612	 0.5279447268	 0.08716
+C	 0.4966963958	 0.1373825619	 2.0139238633	-0.044082
+H	-0.6513993138	-0.2719597087	 3.8884302551	 0.112197
+H	-1.6896279118	 0.2265652574	 2.4716555844	 0.125248
+H	 0.8071147011	 1.7590584899	 3.5096324936	 0.087682
+H	-1.0194585126	 3.2302739983	 2.4173186265	 0.113452
+H	 0.4827751157	 3.1878635602	 1.4830560479	 0.09837
+H	-1.3282077448	 0.860802468	-0.7823170767	 0.096423
+H	 0.7584315594	 1.4934186305	-1.9183228037	 0.102927
+H	 1.2282924918	 2.5176943896	-0.5366339399	 0.105056
+H	-0.0283293798	-0.9720096004	 0.2389574404	 0.076619
+H	 1.3558626387	-0.4202517514	 2.3752702446	 0.094877
+19
+0 305	2.6316304	1.9438329	1.4409157	2.1449	73.82	-0.23938	0.07472	0.3141	953.172	0.159664	-422.522075	-422.515017	-422.514072	-422.553408	28.354
+C	 2.5234140573	 1.5683866834	 1.5931751117	-0.301744
+C	 1.2615249563	 2.289875315	 1.9357060982	 0.095254
+O	 0.6425373365	 3.0264140362	 0.9204121176	-0.251012
+C	-0.6681865774	 2.5449952037	 0.6366275291	-0.10084
+C	-0.6055058048	 1.1736218734	-0.0203675422	-0.084052
+C	 0.2314883665	 1.0818596058	-1.310938693	-0.079762
+O	 1.2369959838	 0.2779343204	-0.65935826	-0.284685
+C	 0.4936209426	 0.2432651886	 0.5816852906	 0.113056
+C	 1.2416210521	 0.783193752	 1.7859557161	-0.088063
+H	 2.8766240501	 1.6552047753	 0.5731920449	 0.142208
+H	 3.290886498	 1.4827746794	 2.3539364871	 0.110608
+H	 1.1449466511	 2.7227429847	 2.928692377	 0.08414
+H	-1.2704530117	 2.5066047403	 1.5574906653	 0.092023
+H	-1.124921279	 3.2807557803	-0.0334372845	 0.109838
+H	-1.6007347644	 0.7277894643	-0.0814363356	 0.076557
+H	-0.2418492018	 0.5479036401	-2.1437615548	 0.097132
+H	 0.6440069339	 2.0307704778	-1.673402251	 0.109361
+H	 0.1460103153	-0.7752842684	 0.7907233857	 0.074761
+H	 1.1505193957	 0.1931387676	 2.6917509677	 0.08522
+19
+0 306	3.1023504	1.6024846	1.2059213	1.8195	73.76	-0.23709	0.07166	0.30874999999999997	1038.4014	0.159458	-422.519617	-422.512389	-422.511445	-422.551311	28.62
+C	 3.5006346913	 2.2736225948	 1.2648430151	-0.321571
+C	 3.3811395001	 1.8252976016	-0.1610220896	 0.107482
+O	 3.5248068161	 0.4557243676	-0.3993611046	-0.252944
+C	 2.3260881824	-0.1327577163	-0.8969528075	-0.104983
+C	 1.2789109865	-0.1585353672	 0.2169467196	 0.108454
+O	-0.074395654	-0.1192189324	-0.2869054476	-0.292043
+C	-0.234698444	 1.2489447508	 0.1452953209	-0.094728
+C	 1.108851183	 1.2218429361	 0.9105840615	-0.064521
+C	 2.1452173972	 2.2746599455	 0.5885298003	-0.079774
+H	 3.7021750872	 1.4936753172	 1.9916651098	 0.121544
+H	 3.9708683898	 3.2278541629	 1.4754367245	 0.112572
+H	 3.7782352714	 2.4545595879	-0.9566024171	 0.088216
+H	 1.9335870553	 0.4284283107	-1.7569322939	 0.098558
+H	 2.5885184257	-1.1387609672	-1.2336412351	 0.111935
+H	 1.4349941093	-1.0141652846	 0.8826790501	 0.081031
+H	-0.2612908358	 1.9468000272	-0.7032522831	 0.096853
+H	-1.1402581796	 1.3852341342	 0.7463671225	 0.105963
+H	 0.9546632703	 1.1231140514	 1.9879794223	 0.086679
+H	 1.7455716377	 3.2501663299	 0.3253449319	 0.091277
+19
+0 307	2.746336	1.7940203	1.3485286	2.4177	73.61	-0.24915	0.0779	0.32705	988.4051	0.159367	-422.529452	-422.522286	-422.521342	-422.560923	28.602
+C	 2.5955912484	 0.3748830253	-1.4046240603	-0.266025
+C	 1.3196883253	 0.7050051808	-2.228151684	-0.239754
+C	 0.4450531862	 0.0627873326	-1.1102336091	-0.089949
+C	 0.0625070178	-1.3675585075	-1.3954478937	 0.049625
+O	-0.5108179346	-2.0972148276	-0.3032906766	-0.256836
+C	 0.7893027175	-2.4725487937	-0.7502145214	 0.038558
+C	 1.9414486011	-2.1875006535	 0.1876808129	-0.122604
+O	 1.9235981295	-0.8888326069	 0.7424395665	-0.256606
+C	 1.6794812092	 0.1577310995	-0.1645580919	 0.15528
+H	 3.0711051704	-0.5493816699	-1.7414595926	 0.107246
+H	 3.3641339802	 1.1457045686	-1.3203809289	 0.103842
+H	 1.142608332	 1.7789292609	-2.3186616197	 0.108444
+H	 1.2443829775	 0.2589660048	-3.2232107035	 0.100497
+H	-0.4443864758	 0.622102836	-0.8065639001	 0.083021
+H	-0.4251431246	-1.549549777	-2.3551181777	 0.089891
+H	 0.8431619062	-3.4410500901	-1.2509005561	 0.090606
+H	 1.9066891645	-2.8744091215	 1.0400552571	 0.121658
+H	 2.8822098646	-2.384623053	-0.353244211	 0.094353
+H	 1.6383336947	 1.058977012	 0.4516148901	 0.088754
+19
+0 308	2.9362532	1.6311456	1.201622	2.225	73.58	-0.24775	0.07295	0.3207	1044.2363	0.159528	-422.532037	-422.524785	-422.523841	-422.563842	28.468
+C	 0.4977052278	 1.1043512446	-1.1799097675	-0.090293
+O	 0.37607912	-0.1801817261	-0.5284047339	-0.298495
+C	 0.510188682	 0.4411613324	 0.77076526	 0.119484
+C	 1.4544600378	-0.291186704	 1.6860092094	 0.004157
+O	 1.5372157624	 0.2577064564	 3.0027026926	-0.258509
+C	 2.687106311	 0.3702836337	 2.1519866906	 0.055046
+C	 3.0368326814	 1.7596329351	 1.639923515	-0.240904
+C	 2.5144250701	 1.9617253697	 0.2065525027	-0.221126
+C	 0.9996198395	 1.7640375195	 0.121833259	-0.055286
+H	 1.195794978	 1.0724154772	-2.0244133043	 0.104321
+H	-0.4761672434	 1.4718743157	-1.5303158198	 0.098195
+H	-0.4693628763	 0.5361549268	 1.261635689	 0.083449
+H	 1.403142947	-1.3792560905	 1.6315803853	 0.100689
+H	 3.5189272859	-0.2600110366	 2.4655404413	 0.094318
+H	 2.6016909729	 2.5028849517	 2.3174668471	 0.117928
+H	 4.1217965928	 1.9006197254	 1.6645904151	 0.102277
+H	 2.7877814048	 2.9540641422	-0.1677714224	 0.099465
+H	 3.0102509888	 1.2313294314	-0.445076626	 0.106957
+H	 0.4644504178	 2.6602292251	 0.4432979467	 0.078326
+19
+0 309	2.9832885	1.5910763	1.1823737	1.1106	73.35	-0.24645	0.07344	0.31989	1050.8275	0.159478	-422.532067	-422.524795	-422.523851	-422.563899	28.538
+C	-0.0324613505	 1.1829134025	 0.7161418728	-0.100463
+O	 0.0180779552	-0.2010090533	 0.31362983	-0.291414
+C	 1.1739670545	 0.0404135487	-0.5271600828	 0.126514
+C	 0.8336335394	-0.0061859202	-2.0149168797	-0.227543
+C	 1.7786479468	 0.8937228399	-2.8307411973	-0.244649
+C	 1.7119522785	 2.3343717599	-2.3441894382	 0.047737
+O	 2.7683185288	 2.7786326409	-1.4854780216	-0.257506
+C	 1.4674301633	 2.6111551627	-0.9137696598	 0.022442
+C	 1.3340678755	 1.4708025466	 0.0591553423	-0.079202
+H	-0.8811413297	 1.7136527409	 0.2610673254	 0.095195
+H	-0.088611422	 1.2945378744	 1.804145145	 0.107449
+H	 1.9864132211	-0.6546740034	-0.2862250141	 0.081407
+H	 0.862375428	-1.0379066458	-2.3795604083	 0.104185
+H	-0.1966791966	 0.3467922349	-2.1403842712	 0.10732
+H	 2.8141852067	 0.5457238229	-2.7440268953	 0.120021
+H	 1.5147186568	 0.8456843836	-3.8914385942	 0.104846
+H	 1.4000096751	 3.0826080173	-3.072751842	 0.09276
+H	 0.9810965609	 3.5466979289	-0.6310532759	 0.091704
+H	 2.1375686284	 1.5270953687	 0.797697115	 0.099199
+19
+0 310	2.7470083	1.8562418	1.3413985	1.4647	73.81	-0.23849	0.07926	0.31775	985.0387	0.159496	-422.552115	-422.544895	-422.543951	-422.583814	28.622
+C	-0.2647628047	-0.1007934049	-1.1270679665	-0.369116
+C	 1.1053369183	 0.5059910277	-0.8260116809	-0.124921
+C	 2.3226395225	-0.4192049284	-0.8849601625	-0.23966
+C	 2.3498210264	-1.1548862799	 0.4841490164	-0.227683
+C	 0.8949992898	-1.1555599751	 1.0044550016	 0.036072
+O	 0.7456485082	-0.7930151431	 2.3809248312	-0.269152
+C	 0.324507048	 0.5556913872	 2.4020917671	-0.003336
+O	-0.4530273855	 0.7636175804	 1.2400570604	-0.274936
+C	 0.2014407911	-0.0015105004	 0.2742675731	 0.426438
+H	-1.0403689067	 0.5958742934	-1.42801622	 0.125875
+H	-0.3246488049	-1.0767779878	-1.6024708537	 0.111076
+H	 1.2232110904	 1.5674108737	-1.0099324769	 0.095605
+H	 2.2377155317	-1.1317578623	-1.7138892297	 0.102932
+H	 3.2458185182	 0.1425541491	-1.0500540064	 0.107207
+H	 2.7813748126	-2.157669567	 0.4256759946	 0.100338
+H	 2.9503440401	-0.5833510563	 1.1994244508	 0.112653
+H	 0.4020818661	-2.1243744735	 0.8727856265	 0.087618
+H	-0.2954374745	 0.7289156488	 3.2852931753	 0.120263
+H	 1.194610233	 1.2366160485	 2.4028428796	 0.082727
+19
+0 311	2.6826226	1.8981478	1.3917303	0.813	74.08	-0.23674	0.08283	0.31957	970.6714	0.159361	-422.548197	-422.540859	-422.539914	-422.580119	28.768
+C	 0.6138554635	 1.6866286705	-0.0523146777	-0.378392
+C	 0.2641868671	 0.2168902495	 0.165845059	-0.140454
+C	 1.1568805612	-0.6511462864	 1.0233026832	-0.094782
+O	 2.4870970831	-0.5403239734	 0.494650925	-0.277895
+C	 2.4742612775	 0.0309837694	-0.805683677	 0.053093
+C	 2.5417581804	-0.9431968158	-2.015572164	-0.264317
+C	 1.2056901168	-0.7081118304	-2.7614285397	-0.102022
+O	 0.7356405965	 0.5814766966	-2.339837955	-0.288508
+C	 1.1082085422	 0.6674370141	-1.0071559967	 0.426159
+H	-0.2058094013	 2.3181223241	-0.3773517162	 0.125987
+H	 1.3325458083	 2.1712882856	 0.6034267382	 0.120328
+H	-0.7676969788	-0.0765188607	 0.015284298	 0.099431
+H	 1.2061389427	-0.3558941623	 2.0785336389	 0.105855
+H	 0.8104883822	-1.6948556317	 0.9818407795	 0.095414
+H	 3.30436602	 0.7443564459	-0.837049828	 0.084869
+H	 3.394837733	-0.7003205642	-2.6534929295	 0.110791
+H	 2.657017365	-1.9746536663	-1.675992082	 0.116444
+H	 1.3010980708	-0.684211748	-3.8488055024	 0.111059
+H	 0.4656662699	-1.4750150064	-2.4914220936	 0.096939
+19
+0 312	2.8340827	1.7916133	1.3242337	1.7629	73.93	-0.24137	0.08032	0.32169000000000003	987.9554	0.159592	-422.547513	-422.54019	-422.539246	-422.579331	28.558
+C	 1.6557072009	 1.0290232709	-2.2426863167	-0.37757
+C	 1.1240694915	 0.2389135448	-1.0669888757	-0.102451
+C	 2.0681735524	-0.6992430883	-0.3389594372	-0.100563
+O	 3.2428820906	 0.0631887108	-0.0410827011	-0.274408
+C	 2.9222712171	 1.444512416	-0.0294744517	 0.043964
+C	 2.4308075087	 2.0384078133	 1.3038732742	-0.102036
+O	 1.5764740458	 3.1178344954	 0.9394085944	-0.265533
+C	 0.9438817253	 2.835924521	-0.3169428626	-0.16682
+C	 1.6714706683	 1.6332788414	-0.8742918071	 0.310207
+H	 2.6066934884	 0.7383908532	-2.6813210634	 0.122072
+H	 0.9247716011	 1.396731874	-2.9558432846	 0.11667
+H	 0.0582793984	 0.0472814666	-1.0093982421	 0.093673
+H	 1.5911807451	-1.0677251763	 0.5819274639	 0.098219
+H	 2.389062145	-1.5686027657	-0.9238872935	 0.109709
+H	 3.8047525506	 1.9795140345	-0.3972454365	 0.088228
+H	 1.892024136	 1.2665568227	 1.877132845	 0.090922
+H	 3.2284430519	 2.4431229946	 1.9319168623	 0.110027
+H	-0.1290013997	 2.6452609118	-0.1713063464	 0.097673
+H	 1.0466401226	 3.7254301292	-0.9507961611	 0.108016
+19
+0 313	2.7096537	1.9049767	1.415362	2.9408	74.01	-0.25279	0.08311	0.33590000000000003	961.9139	0.159965	-422.560895	-422.553731	-422.552787	-422.592391	28.382
+C	 0.5782007545	 1.3967612363	-0.9016690748	-0.386391
+C	 0.3510551605	 0.3413052976	 0.1586181159	-0.094049
+C	 1.5002033734	-0.0486358498	 1.0664574673	-0.103841
+O	 2.610216741	-0.3143498106	 0.2032549799	-0.261684
+C	 2.1586760774	-0.6275394984	-1.0913140139	 0.202075
+O	 2.0037602042	-2.0175486521	-1.3488397525	-0.279921
+C	 0.6470028528	-2.3227127361	-1.6895463011	-0.071805
+C	 0.0041144812	-0.9951395332	-2.1352398354	-0.342964
+C	 0.7622693909	-0.0473621232	-1.2432065261	 0.292786
+H	-0.3016272228	 1.9044147923	-1.2829329445	 0.116606
+H	 1.4655013189	 2.0207443373	-0.8369772366	 0.123024
+H	-0.6619456713	 0.1643725117	 0.5019671679	 0.092222
+H	 1.8161725753	 0.7332911676	 1.7657520429	 0.108557
+H	 1.2338892152	-0.9428350165	 1.6483450631	 0.102996
+H	 2.9299513857	-0.2478633606	-1.7714001121	 0.082919
+H	 0.6581319041	-3.0873598515	-2.4716197139	 0.107842
+H	 0.1190962783	-2.7323289899	-0.8158358407	 0.095578
+H	 0.2049979008	-0.7991684285	-3.1949560222	 0.109829
+H	-1.0778545101	-0.9779874524	-1.9826708233	 0.10622
+19
+0 314	2.7883989	1.8264655	1.3396316	1.801	74.04	-0.22775	0.07964	0.30739	984.7529	0.159463	-422.543411	-422.536281	-422.535337	-422.57476	28.661
+C	-0.2368918359	-0.2159809749	-0.0453799741	-0.389814
+C	 1.2465563511	-0.18467295	-0.3927438924	 0.003039
+O	 1.6292973269	 0.6562089817	-1.4506340946	-0.261707
+C	 1.9119333162	 1.9462649644	-0.892782084	-0.083273
+C	 0.9589209158	 2.1198878077	 0.3092823793	-0.114504
+C	 1.5659937809	 2.709809854	 1.6016949151	-0.245215
+C	 1.9284483738	 1.4532766808	 2.4192455872	-0.102109
+O	 0.9329858885	 0.486857935	 2.081393069	-0.286144
+C	 0.6953732122	 0.6614892391	 0.7198033534	 0.433001
+H	-0.9416605553	 0.2359105619	-0.7361165859	 0.117531
+H	-0.5861573617	-1.1105083496	 0.4611346169	 0.122657
+H	 1.8605429591	-1.0662408113	-0.2375131366	 0.100958
+H	 2.9610673996	 1.9912132556	-0.5583709356	 0.087297
+H	 1.7705240348	 2.6875618454	-1.6836490807	 0.109408
+H	 0.0487695881	 2.6469307219	 0.0118955996	 0.082212
+H	 2.4327460111	 3.3505836777	 1.417283954	 0.105149
+H	 0.8177507367	 3.3012772992	 2.135973192	 0.113009
+H	 2.9270263767	 1.0822428925	 2.1413483063	 0.096333
+H	 1.8998486914	 1.6011897289	 3.5008490513	 0.112173
+19
+0 315	2.8698249	1.7583909	1.3143462	1.1992	73.75	-0.23191	0.08462	0.31653	991.3776	0.159515	-422.542315	-422.534991	-422.534047	-422.574087	28.623
+C	-0.1275951346	-0.0650438824	-0.3829372753	-0.422407
+C	 1.3632068724	-0.154135643	-0.1301638856	 0.084825
+O	 2.262612762	 0.5949064783	-0.9021965528	-0.258819
+C	 1.8791785418	 1.9723472463	-0.8350860019	-0.118578
+C	 1.0250276213	 2.142964332	 0.4331483222	-0.10104
+C	 1.7767273721	 2.3994593678	 1.748577509	-0.083562
+O	 1.0092948771	 1.767642835	 2.7695603922	-0.263779
+C	 0.3152805231	 0.6427377678	 2.2213462564	-0.161207
+C	 0.5130985117	 0.7362600361	 0.7239636319	 0.285158
+H	-0.4945749467	 0.4544285693	-1.2628461528	 0.117372
+H	-0.7188728129	-0.9303170138	-0.098072372	 0.118053
+H	 1.799089716	-1.0838829304	 0.2186491531	 0.103649
+H	 2.7934480902	 2.5753227722	-0.8342646787	 0.11336
+H	 1.2982400637	 2.2448773989	-1.7267209101	 0.101179
+H	 0.2307940939	 2.8817404474	 0.2881991206	 0.082205
+H	 2.7892689832	 1.9674295305	 1.692764732	 0.096555
+H	 1.8663133321	 3.4581117257	 2.0083210688	 0.10631
+H	 0.7157295982	-0.2939235548	 2.6354111214	 0.097053
+H	-0.7404850146	 0.7173289471	 2.5129079117	 0.103673
+19
+0 316	2.7474481	1.8474623	1.3818569	1.9583	74.09	-0.22973	0.09047	0.3202	973.8767	0.159302	-422.545361	-422.538006	-422.537061	-422.577217	28.743
+C	 0.006433517	-0.3049727215	-0.4245185844	-0.422356
+C	 1.4723771011	-0.0904001085	-0.1064878654	 0.086148
+O	 2.261289336	 0.7356173663	-0.9156569	-0.259371
+C	 1.6609105546	 2.0341902117	-0.9670522719	-0.11848
+C	 0.6619059852	 2.137293736	 0.2009952826	 0.06878
+O	 1.1911782175	 2.7765079179	 1.3634307575	-0.283151
+C	 1.1724679788	 1.883834727	 2.4834790327	-0.062665
+C	 0.221535251	 0.7302714978	 2.1169033289	-0.344596
+C	 0.4255768904	 0.6964310513	 0.6231894496	 0.285849
+H	-0.3936266431	 0.0599840574	-1.3656330506	 0.11746
+H	-0.4373935288	-1.2347140188	-0.0824167059	 0.116852
+H	 2.04648088	-0.888464488	 0.3516893385	 0.100942
+H	 2.4484025763	 2.7893918599	-0.8942955062	 0.123091
+H	 1.1364611681	 2.1656429748	-1.9236093874	 0.096272
+H	-0.2425023347	 2.6781010631	-0.107946518	 0.077009
+H	 2.1865090686	 1.5016399996	 2.6682459808	 0.100076
+H	 0.853059129	 2.4472554727	 3.3657826681	 0.104937
+H	 0.4854606342	-0.2043392588	 2.6186229441	 0.105943
+H	-0.8161073713	 0.9743902702	 2.3731794469	 0.107263
+19
+0 317	2.8196394	1.7965864	1.3237132	1.0393	73.84	-0.24724	0.08359	0.33082999999999996	996.6757	0.15932	-422.556925	-422.549497	-422.548553	-422.58905	28.771
+C	 1.5789134686	 0.7260708913	 2.8347393464	-0.066107
+C	 1.0897746336	 1.5860717227	 1.6294362311	-0.386186
+C	 1.1516797659	 0.5598449888	 0.5224755379	 0.459333
+O	 1.0936743522	 0.7917876591	-0.8741781592	-0.325229
+C	 0.0676975122	-0.0312299905	-0.2615816043	-0.024827
+C	 0.2597840622	-1.5292528545	-0.3754932384	-0.244622
+C	 1.6830570255	-1.7977257027	 0.19201082	-0.255617
+C	 2.0804130435	-0.5469609803	 0.9891631951	 0.055774
+O	 1.742890673	-0.6216442187	 2.3710778222	-0.274244
+H	 2.5340855769	 1.1099576409	 3.2206565289	 0.098443
+H	 0.863798977	 0.7007124732	 3.6605873283	 0.112821
+H	 0.0872561132	 1.9925443501	 1.7795931952	 0.115884
+H	 1.7667872174	 2.4225773474	 1.4322566603	 0.118774
+H	-0.9278687109	 0.4049393385	-0.2914338676	 0.094002
+H	-0.5103185083	-2.0157432606	 0.2337410722	 0.112492
+H	 0.1435171733	-1.8971811383	-1.399412119	 0.111434
+H	 1.7245492712	-2.6914384085	 0.8187209662	 0.117867
+H	 2.3978067417	-1.9350192682	-0.6228830687	 0.115277
+H	 3.1469260019	-0.2991067595	 0.8677807832	 0.06473
+19
+0 318	2.8721474	1.7297184	1.293764	1.8554	73.47	-0.24869	0.08061	0.3293	1005.0898	0.159438	-422.552761	-422.54538	-422.544436	-422.584673	28.705
+C	 0.7136771279	-1.1666048488	-1.1919650367	-0.243626
+C	 0.6436746416	-0.1244363529	-2.3475647947	-0.255845
+C	 1.3315361546	 1.1606574832	-1.8317049494	-0.084305
+C	 2.8333840071	 1.3653868284	-2.0545343268	-0.086942
+O	 3.2749749469	 2.1709598193	-0.9528882684	-0.269444
+C	 2.4659969883	 1.9091508328	 0.1983742957	-0.171288
+C	 1.3602541254	 1.0163860736	-0.3202000445	 0.426748
+O	 0.1299408166	 0.7464643291	 0.327142121	-0.326844
+C	 1.0253463965	-0.3593745372	 0.0516036167	-0.034386
+H	-0.208309446	-1.7490088854	-1.1024200119	 0.114668
+H	 1.530687306	-1.8817607854	-1.3447390318	 0.108038
+H	 1.097812411	-0.503646972	-3.2678148246	 0.104713
+H	-0.3992637696	 0.1010419577	-2.5800275401	 0.119044
+H	 0.7933512062	 2.0623835155	-2.1416801992	 0.0864
+H	 3.3640701232	 0.3987895324	-2.06675212	 0.086583
+H	 3.0822275136	 1.9033722791	-2.9728869176	 0.11109
+H	 3.0617895356	 1.4327834119	 0.9879392312	 0.104064
+H	 2.0763951391	 2.8584867952	 0.5867053918	 0.114572
+H	 1.429966226	-0.8385795264	 0.9398469892	 0.096759
+19
+0 319	2.8702525	1.7671985	1.2891175	2.3666	73.72	-0.24482	0.07154	0.31636000000000003	1007.4146	0.159251	-422.555387	-422.548061	-422.547117	-422.587202	28.779
+C	 1.7514190282	-0.4218161413	 1.2883033121	-0.212243
+C	 2.4085698227	 0.5787324385	 0.3053476273	-0.245267
+C	 1.2490640657	 1.5264478391	-0.0483764513	 0.063008
+O	 1.32501582	 2.2333038059	-1.2799184889	-0.283481
+C	 0.5494975017	 1.5772559347	-2.2863303142	-0.106264
+C	-0.3164646511	 0.5660909471	-1.570862566	-0.081528
+O	-1.1525930014	 1.1192384241	-0.5372324634	-0.322033
+C	 0.0960269774	 0.5468278287	-0.1666395184	 0.465845
+C	 0.286206631	-0.6154716313	 0.7869267432	-0.339024
+H	 2.2996381029	-1.3644366816	 1.3521908821	 0.105505
+H	 1.74085315	 0.0072266644	 2.2956829306	 0.110484
+H	 3.2747712839	 1.0905794005	 0.7307202115	 0.104622
+H	 2.7397295583	 0.0657319411	-0.6053166146	 0.102534
+H	 1.0978515474	 2.2700838419	 0.7444340489	 0.089523
+H	-0.0247073668	 2.3392777773	-2.8256903616	 0.117648
+H	 1.1958967278	 1.0559848383	-3.0096142813	 0.097046
+H	-0.7161879456	-0.298618768	-2.0939287663	 0.102118
+H	-0.4360075781	-0.5688461609	 1.6068326978	 0.120466
+H	 0.1439997861	-1.5777888886	 0.2872334327	 0.111041
+19
+0 320	2.4401073	1.8434034	1.2169143	1.7218	76.91	-0.23144	0.0063	0.23774	1045.4149	0.158067	-422.50955	-422.501695	-422.500751	-422.541949	30.592
+C	-0.2731180525	-0.701448367	-0.4612865585	-0.355517
+C	 0.2762005882	-1.1417994717	-1.8048523243	 0.103365
+O	-0.3177788107	-0.7123081992	-2.9889528297	-0.265878
+C	 0.0868733746	 0.5413914567	-3.5547758618	-0.117888
+C	 1.5355168503	 0.5682454359	-3.9754578018	-0.081413
+C	 2.5682880118	 0.909569679	-3.205679589	-0.040589
+C	 2.5368421831	 1.3398953662	-1.7633984961	-0.13489
+O	 1.3351645625	 1.062692124	-1.0649773618	-0.241339
+C	 1.1157905808	-0.2999953133	-0.8609428221	 0.079305
+H	-1.0072003762	 0.0966796254	-0.5013379222	 0.129793
+H	-0.4218603255	-1.4244233798	 0.3329505048	 0.112945
+H	 0.5846420025	-2.1819937118	-1.8868267403	 0.095258
+H	-0.5527356593	 0.6445785879	-4.4356513479	 0.103981
+H	-0.1393329979	 1.3634992556	-2.8710407275	 0.115981
+H	 1.7414931739	 0.2431343678	-4.9925480969	 0.09396
+H	 3.5707720557	 0.8814151889	-3.6309566892	 0.091976
+H	 3.3906999943	 0.8786516615	-1.2372407409	 0.10047
+H	 2.676129955	 2.4259785029	-1.6866290716	 0.124637
+H	 1.9589713894	-0.8067019992	-0.386638873	 0.085842
+19
+0 321	2.4286246	2.0717123	1.4271515	1.1536	74.83	-0.24616	0.07596	0.32211999999999996	949.1776	0.158803	-422.493788	-422.486733	-422.485789	-422.524761	29.231
+C	 2.5050827524	-0.7857741837	 0.0669695657	-0.341008
+C	 2.7536068486	-0.7152047313	-1.4974167987	 0.143848
+C	 1.2214582531	-0.5898142261	-1.677800166	-0.299926
+C	 1.2870173031	 0.0701991228	-0.3097930478	 0.392335
+O	 0.2534169914	 0.8284012836	 0.2920329856	-0.324623
+C	 1.4484289082	 1.505586187	-0.1617737795	 0.013931
+C	 1.7462266673	 2.2543220857	-1.435178411	-0.301047
+C	 3.1945642756	 1.7784880033	-1.7593196925	-0.041817
+O	 3.4479007625	 0.3961009393	-2.0474634243	-0.292544
+H	 2.290699035	-1.8211959869	 0.3490390136	 0.107343
+H	 3.2478610791	-0.3548324101	 0.7402293647	 0.108681
+H	 3.2518168998	-1.5835318663	-1.9306386869	 0.090692
+H	 0.8587215977	-0.0416407417	-2.5467822492	 0.105469
+H	 0.7270557929	-1.5645638112	-1.6219269443	 0.103817
+H	 2.0572069825	 1.8392530887	 0.6806323356	 0.094844
+H	 1.0463851619	 2.027634207	-2.2409759507	 0.121351
+H	 1.7731052054	 3.3426347511	-1.3092624831	 0.104013
+H	 3.5666260874	 2.3064229544	-2.6427732197	 0.114733
+H	 3.8294937064	 2.0821307743	-0.9121714912	 0.099908
+19
+0 322	2.4045398	2.0841271	1.4271087	1.9295	74.72	-0.25767	0.07397	0.33164	949.5513	0.159182	-422.493981	-422.486986	-422.486042	-422.524874	28.946
+C	 1.7962542346	 2.5941230944	 0.8417821628	-0.292812
+C	 2.5071205296	 1.9850732332	 2.0798674073	-0.031728
+C	 1.2033015262	 1.13271537	 2.336034552	-0.315566
+C	 1.0892776071	 1.2515813714	 0.8084519471	 0.41013
+O	 0.3315159646	 0.7459793746	-0.2736787638	-0.320253
+C	 1.600230292	 0.1255106677	 0.0463140445	 0.002354
+C	 2.9924442128	 0.3140107408	-0.5088126938	-0.144348
+O	 3.7964670165	 0.2070334267	 0.6754474888	-0.265706
+C	 3.8091249365	 1.259866105	 1.6477649955	-0.069944
+H	 1.1054001342	 3.3959979297	 1.119468681	 0.101996
+H	 2.4025960147	 2.9175204862	-0.0062421527	 0.10062
+H	 2.77882836	 2.676110641	 2.8830338006	 0.078366
+H	 1.3003746921	 0.1308765816	 2.7578251405	 0.109811
+H	 0.4788279185	 1.7193910637	 2.9091470752	 0.104261
+H	 1.4718546235	-0.8626106334	 0.4874239536	 0.101536
+H	 3.329188468	-0.5008991966	-1.1548799248	 0.111946
+H	 3.1311996281	 1.2614835818	-1.0421651191	 0.107433
+H	 4.2719897398	 0.7916258359	 2.522840337	 0.114632
+H	 4.4906181112	 2.0543720465	 1.3020398284	 0.097271
+19
+0 323	2.4200227	2.1569962	1.4627115	0.8768	74.5	-0.22509	0.07321	0.2983	936.5923	0.158849	-422.493142	-422.486012	-422.485068	-422.524183	29.298
+C	 0.7612292017	 1.7731513162	 0.4514226244	-0.435481
+C	 0.7357954474	 0.7712874569	-0.7136242882	-0.072259
+C	 1.5712656959	-0.4360591779	-1.0368391774	-0.102818
+O	 0.7708894038	-1.6412079296	-1.0409357394	-0.274139
+C	-0.6549750957	-1.5571250963	-1.0313867596	-0.0842
+C	-1.3025127065	-0.9614602594	 0.2574502212	 0.064588
+C	-0.2054848955	-0.6518748781	 1.287763161	-0.299047
+C	-0.1777313965	 0.6290606844	 0.4623096328	 0.429113
+O	-1.5671702165	 0.4816339793	 0.1302056951	-0.320526
+H	 1.5617545034	 1.7375018264	 1.1856664504	 0.123248
+H	 0.4167487505	 2.7734470561	 0.2127082076	 0.132104
+H	 0.2109334348	 1.1870206737	-1.5695497447	 0.105691
+H	 2.053031924	-0.3411254184	-2.0183540326	 0.102352
+H	 2.3624182754	-0.5996238953	-0.29488794	 0.104157
+H	-1.0473885763	-1.0056959146	-1.8975143842	 0.106363
+H	-0.9698387066	-2.6008660632	-1.129833404	 0.110822
+H	-2.2134494274	-1.4918440298	 0.5449221306	 0.079831
+H	-0.6145816657	-0.4714839012	 2.2838979323	 0.106871
+H	 0.6707663701	-1.2960131191	 1.3220149446	 0.123332
+19
+0 324	2.353983	2.215919	1.4606985	1.3369	74.32	-0.22064	0.071	0.29164	938.7668	0.15862	-422.491235	-422.484096	-422.483152	-422.522265	29.374
+C	 0.0205381353	-0.2061096862	-0.3330405818	-0.444072
+C	 1.4048401753	-0.0539644953	 0.2950357015	 0.071011
+O	 2.4835404182	 0.6608517453	-0.2148287853	-0.265976
+C	 3.1035861193	 1.4724394777	 0.808993793	-0.07507
+C	 2.3860004472	 1.6205452795	 2.185886248	-0.244991
+C	 0.8679683442	 1.9548147345	 2.208684263	 0.079259
+C	 0.3459090193	 2.2460437732	 0.7908362691	-0.29704
+C	 0.2581385824	 0.7300145872	 0.8069886526	 0.400275
+O	 0.0549055262	 0.7233753946	 2.2309728376	-0.324164
+H	-0.21491143	 0.2778113672	-1.2763096509	 0.130045
+H	-0.4456740644	-1.1753781363	-0.1922111175	 0.131223
+H	 1.6734222211	-0.9175258944	 0.9060556283	 0.089955
+H	 4.1025739499	 1.0614403512	 1.007030602	 0.105258
+H	 3.2484609782	 2.4640531659	 0.3638509722	 0.108321
+H	 2.5238383626	 0.7158053121	 2.786769478	 0.125726
+H	 2.9338020665	 2.4183765953	 2.7023256842	 0.105377
+H	 0.5931553669	 2.6040879064	 3.0429691236	 0.07958
+H	-0.6448773322	 2.705038322	 0.8022124791	 0.107916
+H	 0.9950798442	 2.7326080601	 0.0640213936	 0.117367
+19
+0 325	2.4453508	2.2251683	1.5011615	1.2963	75.24	-0.23731	0.09559	0.3329	921.509	0.159075	-422.498536	-422.491583	-422.490639	-422.529317	28.942
+C	 1.0916902112	 1.3085930294	-0.2143686245	-0.44995
+C	 1.3919363442	-0.1622711413	-0.035103215	 0.106583
+O	 1.6252028755	-1.0488067821	-1.0842776965	-0.277269
+C	 0.8771527769	-2.277411429	-0.929857333	 0.013891
+O	-0.0327821467	-2.3145130739	 0.1328340763	-0.264252
+C	-1.1312505441	-1.3852882348	 0.1762164754	 0.12859
+C	-0.8155462623	-0.2961423727	 1.2598583265	-0.306045
+C	-0.0090886419	 0.3404200693	 0.1206134609	 0.307145
+C	-0.9925575866	-0.2682213814	-0.8821343686	-0.292498
+H	 1.5049464916	 1.9812019746	 0.5307330416	 0.118445
+H	 1.0532258245	 1.7190189002	-1.2184889271	 0.122961
+H	 1.916266738	-0.4093563555	 0.888744055	 0.083125
+H	 0.3916845452	-2.4586179825	-1.8991980365	 0.099773
+H	 1.582482425	-3.0879967196	-0.7159310088	 0.114121
+H	-2.0603720612	-1.95682637	 0.2515804725	 0.075665
+H	-1.7201969905	 0.2524267657	 1.542352142	 0.096818
+H	-0.2767334862	-0.6302890999	 2.1488319123	 0.105899
+H	-1.9174755969	 0.3124952242	-0.949899402	 0.099521
+H	-0.6449204757	-0.5176991908	-1.8843305505	 0.117474
+19
+0 326	2.4373432	2.1617901	1.7405857	1.377	73.32	-0.24231	0.07561	0.31792	882.9395	0.160435	-422.520036	-422.513477	-422.512533	-422.550519	27.407
+C	-0.2574981875	 2.600947283	 1.1475119156	-0.243072
+C	 1.2783180125	 2.4803643767	 0.8905317859	-0.085563
+C	 1.9663127293	 1.5935455941	 1.9417834855	-0.081803
+O	 1.0653333688	 0.7060490171	 2.5934888731	-0.251508
+C	 0.4980004897	-0.3241727414	 1.8062810162	-0.087258
+C	 0.0939648895	 0.0675676083	 0.3907960202	 0.073674
+O	 1.2829448646	 0.3262677285	-0.4160743805	-0.298966
+C	 0.9520016938	 1.7173416217	-0.448238849	 0.123072
+C	-0.47518523	 1.4983302886	 0.0903663806	-0.088922
+H	-0.6066442461	 2.4319733715	 2.1659092897	 0.116753
+H	-0.6558582287	 3.5509277733	 0.7797443881	 0.097955
+H	 1.8300242095	 3.4168798186	 0.7754689841	 0.070589
+H	 2.8028749453	 1.0438812117	 1.4880919582	 0.106563
+H	 2.3586517282	 2.2208724914	 2.747678978	 0.104893
+H	 1.1999211536	-1.1691893613	 1.7101365731	 0.103013
+H	-0.3783404205	-0.6769983562	 2.3630381763	 0.10668
+H	-0.4916785052	-0.749688415	-0.0464372117	 0.084884
+H	 1.2143404715	 2.2048705677	-1.3890476703	 0.075399
+H	-1.3700025481	 1.5070158019	-0.5320011829	 0.073619
+19
+0 327	2.4061634	2.1675131	1.7350059	2.4213	73.18	-0.22935	0.06969	0.29904	888.7586	0.160363	-422.514371	-422.507717	-422.506773	-422.545042	27.572
+C	 0.3602851804	 2.581403948	 0.4909278375	-0.290329
+C	 1.8491007761	 2.4884704431	 0.0262070395	 0.065494
+O	 2.1423945684	 2.9207713623	-1.2813724449	-0.247839
+C	 1.0651394879	 2.981883583	-2.2045468345	-0.072885
+C	 0.296368939	 1.6585197794	-2.4472203709	-0.236911
+C	 0.3570385247	 0.6397494572	-1.3128042602	 0.102781
+O	 1.7396175631	 0.234049702	-1.0923310769	-0.290856
+C	 1.738274059	 0.9072440584	 0.1601168996	 0.124122
+C	 0.2045592366	 1.0834720728	 0.1845666468	-0.101485
+H	 0.3194914096	 2.7533864356	 1.5707295659	 0.10771
+H	-0.3019786519	 3.3033125154	 0.0112351958	 0.105105
+H	 2.5829028488	 2.9664211182	 0.6801373156	 0.08253
+H	 0.362654644	 3.7708026286	-1.9048049946	 0.095137
+H	 1.5244978638	 3.3129691432	-3.139596965	 0.111065
+H	-0.7501964462	 1.8889874817	-2.6842129438	 0.097598
+H	 0.7123080889	 1.1470999569	-3.3223322055	 0.120377
+H	-0.2558653194	-0.2311009835	-1.5704649703	 0.082093
+H	 2.3458416068	 0.4208096852	 0.9263124859	 0.073535
+H	-0.4737969897	 0.4705275026	 0.7779803199	 0.072757
+19
+0 328	2.4436734	2.1684546	1.7904409	1.5206	73.43	-0.23944	0.07669	0.31612999999999997	860.3034	0.160151	-422.514871	-422.508179	-422.507235	-422.545619	27.706
+C	-0.2013548822	 2.3075308217	 1.3863836785	-0.250598
+C	 1.3260196518	 1.9951206219	 1.4914594469	 0.108196
+O	 1.6964410114	 1.0140138151	 2.4373941879	-0.281573
+C	 1.0965693028	-0.2745180605	 2.3945114313	 0.021993
+O	-0.0819701865	-0.3916547628	 1.6504779946	-0.259162
+C	-0.0274167603	-0.0224839731	 0.2756480205	 0.096376
+C	 1.3963591516	 0.1018519367	-0.3402005199	-0.270423
+C	 1.3366480539	 1.6057524991	-0.0421343921	-0.049515
+C	-0.2236546586	 1.5285079996	 0.0673396579	-0.040105
+H	-0.8314284048	 1.9579916562	 2.2054361353	 0.110805
+H	-0.3704957892	 3.376405898	 1.2246966791	 0.096229
+H	 1.9584127402	 2.8507026642	 1.735367007	 0.087668
+H	 1.8516348273	-0.9911008724	 2.0396481208	 0.093217
+H	 0.8182866561	-0.5331078613	 3.4213596269	 0.112905
+H	-0.7359870476	-0.6745079211	-0.2386140216	 0.084464
+H	 2.2137805661	-0.5007651844	 0.0592836787	 0.110154
+H	 1.337186298	-0.0736116492	-1.4186443592	 0.105018
+H	 1.8682892979	 2.3086193539	-0.6853103792	 0.062104
+H	-0.898640678	 1.8092124987	-0.7421434836	 0.062248
+19
+0 329	2.4050654	2.1620185	1.7283884	0.1427	72.75	-0.24206	0.063	0.30506	890.6783	0.160508	-422.528158	-422.521553	-422.520609	-422.558737	27.461
+C	-0.7199925147	 0.9387382581	-1.303010717	-0.191243
+C	 0.3897658539	 1.9999408454	-1.5013641189	-0.202454
+C	 1.4004576443	 2.1368269761	-0.3694659455	 0.067567
+O	 0.7452353537	 2.6237945785	 0.848865621	-0.30034
+C	 0.9816963069	 1.3776615476	 1.4978002939	 0.061448
+C	 0.0443732086	 0.2192074999	 1.015811946	 0.068307
+C	-1.1436180435	 0.6663907026	 0.1537130325	-0.227334
+O	 1.1308554516	-0.3306533155	 0.1986778281	-0.298443
+C	 1.898444152	 0.8571921488	 0.3949603186	 0.051751
+H	-1.6024852189	 1.2433127796	-1.8755392359	 0.089338
+H	-0.3818228795	-0.0092628403	-1.7267312297	 0.119229
+H	 0.9235102073	 1.8001938937	-2.4384672232	 0.100914
+H	-0.0597021295	 2.9945604232	-1.610368408	 0.111682
+H	 2.207928497	 2.8225879049	-0.6514376214	 0.081033
+H	 1.1977953211	 1.4654240221	 2.5632158213	 0.086157
+H	-0.2441236685	-0.500237691	 1.7883737352	 0.080956
+H	-1.9118686256	-0.1140413678	 0.1501167804	 0.097097
+H	-1.5866481691	 1.5587923469	 0.6095833283	 0.115891
+H	 2.973284503	 0.6778363872	 0.4425480842	 0.088443
+19
+0 330	2.4381917	1.961393	1.3641073	2.3503	74.21	-0.2376	0.08149	0.31909	982.0229	0.159159	-422.512875	-422.505413	-422.504469	-422.544578	29.38
+C	-0.0305456896	 1.4083996507	 0.0919752519	-0.31105
+C	 1.3373408828	 0.7888602856	-0.100912972	-0.070294
+C	 2.03642237	 0.9836404358	-1.4304628562	-0.063606
+O	 2.6730926891	-0.1693952841	-1.9808904753	-0.264696
+C	 2.0813434057	-1.4393698634	-1.819784739	-0.106173
+C	 0.5713674797	-1.5674505898	-2.039771444	 0.031487
+O	-0.1639163186	-0.4213058496	-2.4750323874	-0.244477
+C	-0.3874136585	-0.9018279328	-1.1432336039	 0.022926
+C	 0.1077166063	-0.0885664387	 0.0096387659	-0.024977
+H	-0.277180656	 1.8530425651	 1.0494506983	 0.114298
+H	-0.4585492079	 1.9151011992	-0.7668713315	 0.128566
+H	 1.9910905953	 0.7756300897	 0.7663535492	 0.090165
+H	 1.3298864826	 1.3857651035	-2.1610283288	 0.11458
+H	 2.8462095183	 1.7114855569	-1.3066116637	 0.100356
+H	 2.5957594558	-2.0765471771	-2.5467382823	 0.113061
+H	 2.3004150592	-1.8535805706	-0.8206874778	 0.093514
+H	 0.2677719628	-2.4988006262	-2.5212491297	 0.093487
+H	-1.3704256985	-1.3548074728	-1.0049544882	 0.091629
+H	 0.0035827315	-0.6232760014	 0.9512283743	 0.091204
+19
+0 331	2.4417155	1.999681	1.3832794	2.6274	74.63	-0.23533	0.08024	0.31557	977.2665	0.158622	-422.513942	-422.50651	-422.505566	-422.545494	29.525
+C	-1.4953429361	-1.4277371354	-1.9978140363	-0.320395
+C	-0.360600975	-0.5302913931	-1.6012424283	 0.096254
+O	-0.3436401772	 0.6986896106	-2.2445669336	-0.238165
+C	 0.0178730117	 1.8431769897	-1.4884811226	-0.050856
+C	-0.4951225777	 1.9134711061	-0.0398916618	-0.286247
+C	-1.9561370097	 1.54922743	 0.1763980929	 0.054063
+O	-2.7739440457	 1.2680873643	-0.9667095692	-0.244248
+C	-2.4187355133	 0.1810598556	-0.1102893948	 0.037784
+C	-1.4507360405	-0.8507317083	-0.5975780239	-0.074983
+H	-2.2088910198	-0.978648671	-2.6795197552	 0.138787
+H	-1.3169232156	-2.4879622339	-2.1359748923	 0.111234
+H	 0.6200511595	-0.977349497	-1.4269352401	 0.081756
+H	 1.1139127875	 1.9541913632	-1.463648069	 0.08823
+H	-0.3856321925	 2.6836773431	-2.0609019949	 0.118392
+H	 0.1139779126	 1.2669981672	 0.6041243925	 0.11386
+H	-0.3139566373	 2.9387692813	 0.3031443013	 0.107831
+H	-2.4726524526	 2.1160844724	 0.9518496712	 0.088875
+H	-3.2582549998	-0.2142505356	 0.4644431585	 0.088996
+H	-1.1643630684	-1.5430673591	 0.1915477556	 0.088832
+19
+0 332	2.4999731	2.0063425	1.4234482	0.7101	74.25	-0.2308	0.08603	0.31683	959.4296	0.159159	-422.511301	-422.504104	-422.50316	-422.54242	29.412
+C	 4.3752500414	 0.8422609637	 2.9770923124	-0.328002
+C	 4.7903705433	 0.3024610144	 1.6414026775	 0.100041
+O	 4.2160284979	 0.9467616691	 0.5392878649	-0.254791
+C	 3.8694054354	 0.1124916077	-0.5482751037	 0.004718
+O	 3.3166777711	-1.1192769904	-0.1886487717	-0.235702
+C	 2.2256770597	-1.1491513631	 0.6947743289	 0.112425
+C	 1.6125785474	 0.0710500004	 1.3317044125	-0.357348
+C	 2.4896734979	-0.8596923338	 2.1566025548	-0.069937
+C	 3.9042395329	-0.5316889267	 2.538046829	-0.027641
+H	 5.1154643037	 0.9179362404	 3.765823572	 0.111931
+H	 3.645494104	 1.6441546286	 2.9558085237	 0.124133
+H	 5.8215290289	-0.0172433522	 1.4929491149	 0.087397
+H	 3.1766034189	 0.7202268245	-1.1461172945	 0.102319
+H	 4.7526876497	-0.1490771491	-1.1467101245	 0.104759
+H	 1.5667082265	-1.9692907805	 0.4287276478	 0.098589
+H	 1.9892998612	 1.0517826848	 1.0807443514	 0.144507
+H	 0.543617887	 0.0332318117	 1.5150335192	 0.108719
+H	 1.9690369031	-1.4805983028	 2.8798884104	 0.084816
+H	 4.4129165798	-1.3684127166	 3.0100405252	 0.089068
+19
+0 333	2.2815649	1.9399259	1.1945147	2.3077	73.14	-0.26379	0.06973	0.33352000000000004	1040.8519	0.159094	-422.528905	-422.521586	-422.520642	-422.560319	29.375
+C	 0.7173035431	-1.8933290604	 2.2726313895	-0.208162
+C	 0.7974672799	-0.424339662	 1.8046290789	-0.232851
+C	 1.837755635	-0.1764126953	 0.7287750755	 0.064761
+O	 1.4523558049	 0.7127327664	-0.3294912678	-0.258263
+C	 1.6112375808	-0.6715573367	-0.6405675229	 0.005885
+C	 0.3481625064	-1.4290258098	-0.9564287611	 0.005915
+O	 0.5157131747	-2.785250746	-1.3697384103	-0.258264
+C	-0.0700606857	-2.5397897881	-0.0830070428	 0.064746
+C	 0.7756391398	-2.9170404033	 1.1184960384	-0.232846
+H	 1.5344305022	-2.1172703754	 2.9679741333	 0.105197
+H	-0.2081753618	-2.0178028331	 2.8465123906	 0.105196
+H	-0.1674474872	-0.1183171222	 1.3889545155	 0.117858
+H	 0.9853767603	 0.2295579123	 2.6630526385	 0.103625
+H	 2.8688881187	-0.0477264743	 1.0602858149	 0.092176
+H	 2.4643006839	-0.9036112876	-1.2787682149	 0.105681
+H	-0.4026837866	-0.8686407118	-1.5141649434	 0.105679
+H	-1.1340465363	-2.7739430604	-0.0301444445	 0.092179
+H	 0.4830556287	-3.9070589452	 1.4846119281	 0.103626
+H	 1.8063928391	-3.0115472671	 0.7633766445	 0.11786
+19
+0 334	2.4191509	1.9919799	1.3386576	1.1365	74.45	-0.22649	0.07142	0.29791	990.1398	0.158828	-422.51944	-422.512116	-422.511172	-422.550917	29.349
+C	-0.831126884	-1.1446400406	-0.7470585351	-0.388394
+C	-0.3780784449	-0.9358128735	 0.6977000715	-0.112949
+C	-1.3086561551	-0.3929852493	 1.7777850738	-0.233225
+C	-0.939919685	 1.0629374056	 2.0835319354	-0.074442
+O	-1.113432541	 1.9044669953	 0.9451737342	-0.26435
+C	-0.421088522	 1.5153922682	-0.2128796026	 0.012953
+C	 1.1108092842	 1.7379305548	-0.3547634288	-0.12634
+O	 1.2838280887	 0.3653999007	-0.7970504147	-0.313799
+C	-0.0407363364	 0.0530388861	-0.3772504597	 0.431416
+H	-0.3192523854	-1.9227601696	-1.3033894588	 0.126664
+H	-1.8808377596	-1.0206231852	-1.0004944483	 0.115406
+H	 0.4294420626	-1.5827886893	 1.0262044128	 0.098139
+H	-2.3551610111	-0.4297399618	 1.4535479043	 0.108214
+H	-1.2353940171	-0.9897189535	 2.692697768	 0.104868
+H	-1.5921605625	 1.4888827204	 2.8509941394	 0.10914
+H	 0.0959222086	 1.1143031033	 2.4547233181	 0.093053
+H	-0.9757760554	 1.9356508181	-1.0562379002	 0.097949
+H	 1.4474704519	 2.4539126514	-1.109671473	 0.110376
+H	 1.6209828236	 1.9309768888	 0.5971844136	 0.105319
+19
+0 335	2.6696987	1.8295832	1.2910353	0.7773	74.68	-0.22743	0.07536	0.30279	1003.4733	0.159022	-422.519286	-422.511968	-422.511024	-422.550862	29.12
+C	-1.0426184899	-0.92476839	 0.4578409986	-0.368619
+C	-0.2953011949	-0.2020841086	 1.5791541979	-0.133446
+C	-0.9563449472	 0.8698522632	 2.4309288569	-0.096858
+O	-1.5313910077	 1.9218666233	 1.6638510289	-0.249094
+C	-0.6014685079	 2.5172342486	 0.7684860147	-0.105155
+C	-0.3278774802	 1.5494585367	-0.3806361135	-0.133094
+C	 1.0891936354	 1.3965084732	-0.9821396656	-0.111284
+O	 1.1648422977	 0.0088435787	-0.5596700518	-0.316286
+C	-0.0651492956	 0.1466479754	 0.1410434243	 0.47371
+H	-0.7441842524	-1.9515090636	 0.2740707117	 0.12269
+H	-2.0969201734	-0.7155416891	 0.2984578394	 0.11958
+H	 0.473489357	-0.7854690575	 2.0766189642	 0.098841
+H	-1.7774746318	 0.4651189875	 3.0321716398	 0.110414
+H	-0.2048151713	 1.2884839028	 3.1217973009	 0.091088
+H	-1.0558447421	 3.4524498024	 0.4302191406	 0.109291
+H	 0.3349670624	 2.7619042044	 1.2974372077	 0.087175
+H	-1.1177146282	 1.5992288674	-1.1341012911	 0.088404
+H	 1.1742147992	 1.4917399394	-2.0689661754	 0.110205
+H	 1.863894681	 2.0068034257	-0.5001906683	 0.102436
+19
+0 336	2.6317353	1.8378657	1.2880174	1.8207	74.62	-0.23736	0.06522	0.30257999999999996	1004.7579	0.159198	-422.519393	-422.512089	-422.511145	-422.550949	28.976
+C	 1.2240457912	 0.1946560646	-2.8755724398	-0.367977
+C	 2.072123313	 1.2119733593	-2.1388194313	-0.100544
+C	 3.4810029623	 0.8857634742	-1.6662458066	-0.094907
+O	 3.545852833	-0.2904702347	-0.8717344713	-0.249771
+C	 2.6790719977	-0.2339479955	 0.2557155477	-0.112161
+C	 1.2448963619	-0.3965978986	-0.2412720576	 0.08031
+O	 0.2263209859	 0.2888456284	 0.5279512571	-0.303304
+C	-0.2149286327	 1.0387354285	-0.632906512	-0.162874
+C	 0.9553284185	 0.4950370435	-1.4390338005	 0.291234
+H	 0.5355306194	 0.5717161637	-3.6251526103	 0.114187
+H	 1.6603793133	-0.7732277957	-3.106245982	 0.122409
+H	 1.9115987027	 2.2536611811	-2.4043059312	 0.089938
+H	 4.1590938573	 0.7111357237	-2.508186949	 0.111435
+H	 3.8703388028	 1.7415232676	-1.0891158086	 0.092262
+H	 2.9907331555	-1.037156731	 0.9283274448	 0.109409
+H	 2.7731378448	 0.7272926511	 0.7844078486	 0.095588
+H	 0.990071413	-1.4561572014	-0.378800634	 0.077202
+H	-1.2089274584	 0.7141300105	-0.9700838301	 0.102715
+H	-0.232836921	 2.1189766208	-0.4442002636	 0.104849
+19
+0 337	2.4825305	1.944837	1.3342321	1.9026	74.37	-0.2217	0.07258	0.29428	990.416	0.158772	-422.517372	-422.51006	-422.509116	-422.548826	29.302
+C	-0.7617188391	-1.2283033449	-0.1062274831	-0.402137
+C	-0.7034654849	-0.640824332	-1.508789267	 0.012424
+O	-1.8462899754	-0.0209809331	-2.0265922538	-0.255456
+C	-1.6111379519	 1.3642842436	-2.2762962161	-0.076981
+C	-1.4601026434	 2.1387404972	-0.9602903375	-0.236211
+C	-0.4128333839	 1.4982452751	-0.0388859289	-0.11662
+C	 1.1050157811	 1.7163426039	-0.2661639381	-0.102401
+O	 1.3503921294	 0.2854271551	-0.2594046515	-0.312197
+C	-0.0506392873	 0.0544808024	-0.3582638889	 0.434209
+H	-1.7055423204	-1.1999172336	 0.4291427121	 0.122729
+H	-0.1577961156	-2.1135759027	 0.0647786158	 0.125985
+H	-0.0826188707	-1.1544252018	-2.2424668402	 0.094863
+H	-0.7217876388	 1.4866129542	-2.9135290011	 0.093965
+H	-2.4778317115	 1.7249526993	-2.8368811748	 0.110053
+H	-1.2110603524	 3.1870734693	-1.1648501521	 0.100265
+H	-2.4321078993	 2.1363017815	-0.4549972146	 0.110777
+H	-0.6711165918	 1.6471753152	 1.0130624329	 0.087099
+H	 1.3571723217	 2.1626990181	-1.2376480158	 0.09988
+H	 1.660172774	 2.2265789733	 0.5261499028	 0.109754
+19
+0 338	2.8675044	1.741756	1.3135615	1.2225	74.52	-0.23138	0.07392	0.3053	995.7549	0.15904	-422.492137	-422.484889	-422.483944	-422.523426	29.214
+C	 1.5688400388	 0.3543804791	 2.6259906982	-0.369098
+C	 1.2752715948	 1.8159453209	 2.3972144809	 0.018908
+O	 2.2468418582	 2.6210267043	 1.7666983089	-0.264219
+C	 3.2559469934	 1.9654028854	 0.9828983914	-0.075125
+C	 2.7532628212	 0.8647223631	-0.0286967523	-0.318674
+C	 1.2469125883	 0.9069355826	 0.0574355491	 0.18634
+O	 0.3722457536	-0.1729857916	-0.3646525269	-0.315771
+C	-0.4512237272	 0.0507823758	 0.8214393594	-0.196699
+C	 0.714923755	 0.7986780226	 1.4626991396	 0.252001
+H	 2.5670674843	-0.0476518192	 2.4945048991	 0.118306
+H	 1.0175764861	-0.1016989975	 3.4439017722	 0.114006
+H	 0.7213136636	 2.3990548532	 3.1249980299	 0.10482
+H	 3.7263675845	 2.7862931084	 0.4382680275	 0.121782
+H	 4.0148372572	 1.5341805578	 1.6484068931	 0.107435
+H	 3.1281465119	 1.0758998273	-1.0341111354	 0.107877
+H	 3.1189160022	-0.1241108652	 0.2628531972	 0.115027
+H	 0.8904973938	 1.8443038357	-0.4002883216	 0.078398
+H	-1.3350095867	 0.6577184307	 0.5805998957	 0.10286
+H	-0.7566082031	-0.8874458335	 1.2936549938	 0.111826
+19
+0 339	2.6303292	1.8995947	1.3185258	1.6404	74.59	-0.23431	0.07884	0.31315	993.8318	0.158878	-422.521935	-422.514622	-422.513678	-422.553523	29.241
+C	-0.7455708214	 0.5968062914	-0.9228245757	-0.412908
+C	-1.1193212164	-0.2105937533	 0.2992289517	 0.083115
+O	-0.8861542212	-1.5909366492	 0.3981126551	-0.248803
+C	 0.4616401959	-1.9757218144	 0.2259036501	 0.003233
+O	 1.3454378641	-1.2653190782	 1.0457659138	-0.244807
+C	 1.4074845226	 0.0997153418	 0.6572891653	 0.064368
+C	 1.5553187632	 1.0876869608	 1.8403935	-0.237844
+C	 0.3178424484	 1.8850552044	 1.3184977198	-0.333048
+C	 0.0418635432	 0.7274269278	 0.3570057892	 0.28371
+H	-0.2696043087	 0.106376728	-1.7667554076	 0.116131
+H	-1.4188384423	 1.4031990952	-1.1971349974	 0.116365
+H	-2.0417125255	 0.0426393676	 0.8121922301	 0.103468
+H	 0.513011558	-3.0248725781	 0.5220031439	 0.121284
+H	 0.7554745451	-1.8740940981	-0.834785358	 0.080334
+H	 2.1576767576	 0.2302583451	-0.1364555135	 0.068005
+H	 1.3605972834	 0.5741108315	 2.7834254081	 0.122113
+H	 2.5002347268	 1.6288761452	 1.9104127177	 0.103646
+H	-0.4600051917	 2.115432819	 2.0512150171	 0.105288
+H	 0.592692609	 2.8093756837	 0.8014910904	 0.106349
+19
+0 340	2.888983	1.8144344	1.3254247	2.133	75.01	-0.23683	0.0767	0.31353000000000003	992.632	0.15844	-422.514643	-422.507224	-422.50628	-422.54627	29.47
+C	 3.7135070678	 0.2195591303	 1.1019550472	-0.269155
+C	 4.1172700439	-0.9906918257	 0.1766766662	-0.337739
+C	 3.1364203064	-0.4028701806	-0.8370321286	 0.412561
+O	 3.6485151863	 0.4023630562	-1.9041333547	-0.286819
+C	 2.5322832023	-0.4775676373	-2.1561016819	-0.090541
+C	 1.2013944034	 0.2688605392	-2.1891970335	-0.281659
+C	 1.2828212866	 1.5979074505	-1.3995508024	-0.051702
+O	 1.7864592194	 1.5271149339	-0.052051876	-0.285756
+C	 2.4010056347	 0.3159713233	 0.2742319901	 0.120027
+H	 3.6298565568	 0.0429162283	 2.1753462688	 0.101401
+H	 4.3572821999	 1.0806291353	 0.9110256771	 0.127259
+H	 5.1548815144	-1.0474640746	-0.152891596	 0.124622
+H	 3.8054399344	-1.9559011006	 0.5831105757	 0.113813
+H	 2.7189312301	-1.2772976847	-2.8693889112	 0.095135
+H	 0.9102748589	 0.5182186976	-3.2161153096	 0.112008
+H	 0.4161099737	-0.3829524453	-1.7853910614	 0.113618
+H	 1.9176055221	 2.2917406395	-1.9605431232	 0.117535
+H	 0.278021384	 2.0308424521	-1.3363257311	 0.099323
+H	 1.6689420349	-0.3842406574	 0.7145769646	 0.066069
+19
+0 341	2.7080091	1.8041659	1.2705944	2.4556	74.7	-0.25318	0.07253	0.32571	1015.52	0.158837	-422.528875	-422.521571	-422.520627	-422.560405	29.152
+C	 2.2804990144	 1.2624897544	-2.7622913933	-0.251602
+C	 1.292759867	 2.0333163518	-1.8248354569	-0.336544
+C	 1.4176394884	 0.8605030087	-0.8601322856	 0.474742
+O	 1.2357343484	 0.8422509673	 0.5406610571	-0.294812
+C	 0.4272590119	-0.0347839978	-0.2635322925	-0.088134
+C	 0.7599150357	-1.5138078645	-0.2155303717	-0.103564
+O	 2.1105597673	-1.8028919756	-0.5264595831	-0.243398
+C	 2.5462100734	-1.2134904708	-1.7448449768	-0.104668
+C	 2.6417287907	 0.3030038475	-1.5821381272	-0.078006
+H	 1.7624223283	 0.7416379751	-3.5721415208	 0.105586
+H	 3.0994327639	 1.8439201197	-3.1876016245	 0.109178
+H	 1.7405536062	 2.9410799484	-1.4098952699	 0.119054
+H	 0.3008515646	 2.2753889512	-2.2138805926	 0.106989
+H	-0.6332828529	 0.2170225959	-0.2872085959	 0.094848
+H	 0.5860358735	-1.9187313542	 0.7867145875	 0.122118
+H	 0.0820649062	-2.033988958	-0.916185207	 0.088407
+H	 3.5090645974	-1.6762818265	-1.9777517122	 0.110909
+H	 1.8435464108	-1.4621744795	-2.5590342134	 0.080864
+H	 3.5718370449	 0.5898883069	-1.0832341411	 0.088032
+19
+0 342	2.4116148	1.9322008	1.3052184	1.4454	74.15	-0.25115	0.07248	0.32363	1007.3249	0.158871	-422.531112	-422.523776	-422.522832	-422.562659	29.188
+C	-0.1532709252	 1.313584527	 0.0008265847	-0.170104
+O	 0.0839307564	-0.1066448611	 0.1774870136	-0.299462
+C	 1.3462402047	-0.0429534467	-0.5528307811	 0.074841
+C	 2.5115220199	-0.8071377732	 0.0734262117	-0.231146
+C	 3.2515156289	-0.0049958091	 1.1563547469	-0.207691
+C	 3.6415474143	 1.4000249116	 0.6475188078	-0.23519
+C	 2.3808304996	 2.1859782293	 0.3274530333	-0.034107
+O	 2.0393975126	 2.4376636409	-1.0626761705	-0.297444
+C	 1.3153332567	 1.4660569693	-0.3583304009	 0.357534
+H	-0.8474965682	 1.5134269703	-0.827071737	 0.107482
+H	-0.5171691032	 1.7950176489	 0.9143438938	 0.111885
+H	 1.1842799889	-0.3532653965	-1.5947712009	 0.078095
+H	 2.1324026926	-1.7543451214	 0.472561259	 0.115846
+H	 3.217292192	-1.0626199416	-0.7270831925	 0.104228
+H	 2.6129413462	 0.0996793568	 2.0422737264	 0.108938
+H	 4.1438527844	-0.5535876296	 1.4745304524	 0.098412
+H	 4.2413833745	 1.9283436602	 1.3944989403	 0.10233
+H	 4.2521591718	 1.3181869487	-0.2591659928	 0.116358
+H	 2.1170807832	 3.0123248462	 0.9856476759	 0.099195
+19
+0 343	2.3454593	1.7815774	1.1680086	1.8474	75.65	-0.252	0.00556	0.25756	1066.7627	0.15874	-422.522605	-422.514804	-422.51386	-422.554869	30.262
+C	 0.9906045613	-2.6041872791	-1.0450498129	-0.119507
+O	 1.2749912331	-1.7463399601	-2.1559722014	-0.252522
+C	 1.1043301154	-0.3637032899	-1.8945062424	-0.108439
+C	 1.839925071	 0.0520011756	-0.6410925279	 0.039494
+O	 1.4482731919	 1.2617467264	 0.0016942574	-0.260828
+C	 1.1899926942	 0.02222305	 0.6803051583	 0.039676
+C	-0.2775385216	-0.3108348849	 0.9200602841	-0.28647
+C	-0.9037766597	-1.541727773	 0.3093848242	-0.027507
+C	-0.4131235866	-2.4819711207	-0.5015368984	-0.08862
+H	 1.1444958435	-3.611869804	-1.4387205626	 0.110081
+H	 1.7297062185	-2.4505874484	-0.2486061004	 0.100207
+H	 1.5136204254	 0.1522422116	-2.7688536821	 0.114202
+H	 0.0439688569	-0.0924075585	-1.8078491737	 0.103051
+H	 2.9190174634	-0.1125842809	-0.6754892369	 0.09498
+H	 1.8451459829	-0.1409298235	 1.5365358289	 0.09845
+H	-0.4471145885	-0.3503038618	 2.0047424747	 0.119175
+H	-0.8598933087	 0.5562321789	 0.580704553	 0.138936
+H	-1.9569010637	-1.6313811238	 0.5764047114	 0.09398
+H	-1.1091543288	-3.245717774	-0.8404716233	 0.091659
+19
+0 344	2.3556651	2.1161363	1.5657057	2.0037	74.63	-0.24396	0.01071	0.25467	925.0495	0.160621	-422.562877	-422.555999	-422.555055	-422.593704	28.316
+C	 1.0809440391	 2.0159892473	-1.6035374737	-0.27135
+C	 1.9059847135	 1.0330799407	-0.7407160156	-0.067725
+C	 2.2848005275	 1.6632666527	 0.6206416596	-0.091216
+O	 1.1651162029	 2.016882481	 1.416954253	-0.23341
+C	 0.3379185754	 3.0302976145	 0.9090245787	 0.025
+O	-0.7019069513	 2.6047211154	 0.0636320568	-0.271638
+C	-0.3545389077	 1.809630075	-1.0855498939	 0.088412
+C	-0.3349708347	 0.3316636317	-0.7247657562	-0.069519
+C	 0.9136213733	-0.096760967	-0.5519193192	-0.053684
+H	 1.420319854	 3.0539783804	-1.5607346547	 0.100806
+H	 1.1148459361	 1.6994354434	-2.6498222727	 0.106755
+H	 2.8347153332	 0.7229823097	-1.2332124198	 0.070451
+H	 2.8563859524	 0.9525131858	 1.2258398147	 0.110065
+H	 2.9210946239	 2.5454043783	 0.4446197407	 0.092502
+H	-0.1733043774	 3.4763379475	 1.7662348979	 0.114345
+H	 0.9597466594	 3.7971171816	 0.4157631509	 0.075342
+H	-1.1127572067	 2.0639268224	-1.8315464575	 0.080308
+H	-1.2413358495	-0.2396342982	-0.5652059465	 0.097944
+H	 1.2076204364	-1.0875422622	-0.2234717026	 0.09661
+19
+0 345	2.285734	2.1562056	1.5551843	0.6883	74.73	-0.2381	0.00016	0.23826	927.6079	0.160303	-422.555143	-422.548197	-422.547253	-422.585992	28.649
+C	 0.6235844671	 1.0664641371	-1.5443452403	-0.272784
+C	-0.7506039982	 1.6643862728	-1.1771935616	 0.084582
+O	-1.8310751939	 1.0414221675	-1.8803783749	-0.269396
+C	-2.0405998361	-0.3426283756	-1.6349055459	-0.089577
+C	-0.865648481	-1.2727563126	-1.9632475938	-0.084285
+O	 0.192185925	-1.3462541528	-1.0183897916	-0.277493
+C	 0.7664885454	-0.112356671	-0.5648954662	 0.082803
+C	 0.0104206711	 0.4079457226	 0.6506684289	-0.071047
+C	-0.8128301231	 1.4006876744	 0.3160988869	-0.099855
+H	 0.7047945326	 0.7903342867	-2.5968297589	 0.110832
+H	 1.4050901012	 1.8003107571	-1.3251151264	 0.105492
+H	-0.8370094866	 2.7207517082	-1.4436027989	 0.080985
+H	-2.3652378312	-0.5255907655	-0.6018975572	 0.101891
+H	-2.8682781314	-0.6119482694	-2.3002303757	 0.108147
+H	-1.2579686366	-2.2948413767	-2.0114045642	 0.10832
+H	-0.4852144302	-1.0213315766	-2.9650133475	 0.096836
+H	 1.8102471314	-0.3553545944	-0.3451771306	 0.080639
+H	 0.1055495972	-0.0483344102	 1.6293884503	 0.102744
+H	-1.5214598926	 1.8969160583	 0.9693957175	 0.101167
+19
+0 346	2.4174572	2.051884	1.5298798	2.1981	75.2	-0.23595	0.00858	0.24453	936.265	0.159988	-422.556934	-422.549899	-422.548955	-422.587964	28.627
+C	 1.5602551098	 2.0027202502	-2.4920665941	-0.078919
+C	 0.5189408011	 2.7864203122	-1.677220774	-0.207126
+C	 0.4656338049	 2.3833571034	-0.1900745958	 0.043793
+O	 0.1823694719	 0.9830138939	-0.0777040395	-0.24906
+C	 1.4319154672	 0.3057614903	-0.0306247235	 0.026289
+C	 1.8525814828	-0.1651675694	-1.4612096473	-0.094435
+O	 1.3154879028	 0.6057916493	-2.512479082	-0.23473
+C	 2.3747798973	 1.3313411084	 0.5650622797	-0.096241
+C	 1.8065826933	 2.5293379374	 0.4952567448	-0.086153
+H	 1.503637863	 2.3286876223	-3.5365617826	 0.105134
+H	 2.5783900846	 2.2146380061	-2.1352416745	 0.093046
+H	 0.7340602241	 3.8602766529	-1.7668840216	 0.089667
+H	-0.47125574	 2.6125677229	-2.1115904698	 0.115498
+H	-0.3436239275	 2.9249349366	 0.312996243	 0.083
+H	 1.3192507984	-0.5800411526	 0.6071435643	 0.08598
+H	 2.9538874816	-0.2031175807	-1.5161006011	 0.083436
+H	 1.4749465606	-1.1767001521	-1.6387707122	 0.110909
+H	 3.3627244	 1.0875933839	 0.934869682	 0.104988
+H	 2.2310672842	 3.4809588252	 0.7883018743	 0.104923
+19
+0 347	2.3524973	2.1319681	1.5324999	1.9803	74.51	-0.24098	0.00606	0.24704	934.2491	0.160077	-422.570229	-422.563191	-422.562247	-422.601251	28.713
+C	 2.7900046972	 1.4714369373	-1.9316061715	-0.222328
+C	 1.7390874881	 2.5426144899	-2.2717882373	-0.051534
+O	 1.2179962423	 3.2953615242	-1.1790031744	-0.282924
+C	 0.6122237998	 2.5549329942	-0.1199032737	 0.148195
+O	 0.2453665304	 1.2532183802	-0.5012377672	-0.24737
+C	 1.316578216	 0.3649855934	-0.1393980521	 0.045739
+C	 2.227319686	 0.1560347773	-1.3623582631	-0.205688
+C	 2.0040161645	 1.0843879124	 0.9960287404	-0.094571
+C	 1.5969173217	 2.3471580887	 1.0155354595	-0.095284
+H	 3.3242894922	 1.2364596893	-2.8605750347	 0.097712
+H	 3.5282854269	 1.9060513562	-1.2491302487	 0.109635
+H	 2.1998454994	 3.3030066382	-2.9097430892	 0.101909
+H	 0.9195219371	 2.0815126868	-2.8400393345	 0.098146
+H	-0.294163649	 3.1074405099	 0.1492585811	 0.089598
+H	 0.8639616115	-0.5860267615	 0.1635358715	 0.08567
+H	 3.0486247256	-0.5224192332	-1.0988157077	 0.095283
+H	 1.6333699385	-0.3507773575	-2.1322024532	 0.107598
+H	 2.760552505	 0.6224165886	 1.6175762007	 0.10822
+H	 1.9370466768	 3.1516664558	 1.6532753541	 0.111994
+19
+0 348	2.4982039	1.8066106	1.1983677	0.2807	78.07	-0.23648	0.02318	0.25966	1056.5995	0.158717	-422.528516	-422.520864	-422.51992	-422.560503	30.02
+C	-0.298345434	 0.3027372286	 0.482898664	-0.332526
+C	 1.1025255468	 0.8223133693	 0.4921120098	 0.128207
+O	 1.8568532792	 0.5994489484	-0.6616139013	-0.234747
+C	 2.9504442394	 1.4764327741	-0.7674538225	-0.008291
+O	 2.5962496387	 2.8252378099	-0.7584003245	-0.220198
+C	 1.8037771105	 3.242795651	-1.8554499174	-0.133939
+C	 0.3125648266	 3.1516509159	-1.6872864091	-0.037414
+C	-0.4334600209	 2.5838539138	-0.7394127921	-0.075531
+C	-0.0350919441	 1.8070848042	 0.4649851767	-0.092314
+H	-0.6311610191	-0.1390147567	-0.4499659425	 0.127082
+H	-0.6941136969	-0.1606079682	 1.3796820661	 0.112142
+H	 1.6801470219	 0.7481524454	 1.4147836578	 0.08283
+H	 3.6368510164	 1.3547629179	 0.0827159122	 0.096987
+H	 3.4496732843	 1.1937917308	-1.7053464932	 0.096997
+H	 2.0619940748	 4.2963361764	-2.0276281633	 0.117004
+H	 2.1028139131	 2.6981239047	-2.7679986488	 0.103237
+H	-0.2151993007	 3.6676219177	-2.4897358254	 0.08491
+H	-1.5125695789	 2.6962445863	-0.8441204107	 0.089021
+H	-0.2307551771	 2.3160478004	 1.4072485342	 0.096543
+19
+0 349	2.4565268	1.7363293	1.1695217	1.8737	76.69	-0.25252	0.01158	0.2641	1069.7131	0.1585	-422.528803	-422.521088	-422.520144	-422.560804	30.166
+C	-3.1151090851	-2.3077416251	 0.1922878164	-0.080785
+C	-2.9520465389	-2.4605533049	 1.7113136168	-0.272678
+C	-3.2990077321	-1.165291899	 2.401971154	 0.097151
+O	-2.6769108269	-0.8762869742	 3.6548183687	-0.274852
+C	-2.3257567949	-0.0733505013	 2.5061164166	 0.009586
+C	-0.9052231801	-0.1619687243	 2.0686750137	-0.095308
+C	-0.4066674934	-0.5993321957	 0.912933763	-0.037751
+C	-1.0914956145	-1.1354160046	-0.3173291413	-0.136625
+O	-2.5001388725	-1.1421000626	-0.3282471819	-0.231804
+H	-2.7337629489	-3.2055869038	-0.319461386	 0.093331
+H	-4.1748711358	-2.2047356376	-0.0653094142	 0.110504
+H	-3.6031334559	-3.2718551083	 2.0588919136	 0.10407
+H	-1.9262708995	-2.7375254003	 1.9667263915	 0.119193
+H	-4.354135024	-0.8855280252	 2.3556686767	 0.084174
+H	-2.718893774	 0.9437749049	 2.5673202858	 0.097199
+H	-0.2004782407	 0.2033173017	 2.8143655287	 0.100825
+H	 0.6764436802	-0.5651394495	 0.7898842764	 0.091545
+H	-0.7826153007	-0.5129085564	-1.1693631749	 0.122153
+H	-0.6986980424	-2.1469678039	-0.5266641534	 0.100071
+19
+0 350	2.2471061	1.9357899	1.2940379	2.2107	77.35	-0.24022	0.00134	0.24156	1023.5223	0.158756	-422.523148	-422.515472	-422.514528	-422.554979	30.139
+C	-0.4811585203	 1.4466057029	-0.0463178933	-0.067571
+C	 0.6505598212	 2.5000076721	-0.075425942	-0.263563
+C	 1.200201928	 2.8567835163	 1.2827015904	-0.092556
+C	 2.0918622923	 2.1835858123	 2.0159226877	-0.047178
+C	 2.7512084753	 0.8982923542	 1.7041690157	 0.010192
+O	 2.6958348866	 0.3718325866	 0.3750238771	-0.228579
+C	 1.9756902285	-0.3293339523	 1.3780272653	 0.035601
+C	 0.4448297271	-0.3417238891	 1.2818754044	-0.126727
+O	-0.0528250784	 0.1028288136	 0.0407438051	-0.224324
+H	-1.1863654863	 1.6765178124	 0.7685868534	 0.086371
+H	-1.0321192167	 1.4982396899	-0.9908244544	 0.10727
+H	 1.4339712931	 2.1223102462	-0.7342485111	 0.144501
+H	 0.2351097482	 3.4049672321	-0.5335276255	 0.093761
+H	 0.7977870482	 3.7666904451	 1.7240511786	 0.091441
+H	 2.3685237215	 2.585711031	 2.9886725246	 0.086803
+H	 3.7165337468	 0.749740093	 2.1905543643	 0.093339
+H	 2.4244112691	-1.2857114396	 1.6528428008	 0.093342
+H	 0.1117832107	-1.3797849593	 1.3968835855	 0.107258
+H	 0.011885065	 0.2402449926	 2.1087081933	 0.100618
+19
+0 351	3.0066429	1.6495116	1.2821869	1.8106	75.71	-0.24032	0.02153	0.26185	1018.1841	0.160144	-422.56999	-422.562892	-422.561948	-422.601352	28.357
+C	 2.4213873028	 0.6126295341	-1.8854856716	-0.271774
+C	 3.1257869354	 1.0908738014	-0.6356809403	-0.065778
+C	 2.2646718695	 1.3474240017	 0.3460546454	-0.057778
+C	 0.8397427861	 1.041630758	-0.0666334175	-0.064712
+C	-0.2540489497	 2.0049527126	 0.4083486594	-0.112451
+O	-0.2334481433	 3.229345939	-0.3070690877	-0.22579
+C	-0.3291540312	 2.9840639521	-1.6827722866	 0.020069
+O	 0.7824164602	 2.2975682641	-2.184295738	-0.254169
+C	 0.9554201657	 0.9977123324	-1.6175527417	 0.098211
+H	 2.7754324554	 1.0899712709	-2.8044661445	 0.119722
+H	 2.5312698533	-0.4727454161	-2.0168633049	 0.103333
+H	 4.2038011163	 1.1824021982	-0.5690857607	 0.093822
+H	 2.5217413293	 1.6850231004	 1.3442258595	 0.092613
+H	 0.5656346207	 0.0390569793	 0.297436033	 0.082415
+H	-1.2414238831	 1.5266734957	 0.2899147221	 0.086033
+H	-0.1273281615	 2.2550305741	 1.4658826143	 0.110145
+H	-1.258984494	 2.4198303548	-1.8975074742	 0.06823
+H	-0.3545454353	 3.9534790111	-2.1846532142	 0.115868
+H	 0.2293922635	 0.3059973162	-2.0689280216	 0.061991
+19
+0 352	3.0033409	1.6667048	1.2602104	0.2647	75.96	-0.23163	0.0098	0.24143	1022.0282	0.159848	-422.561471	-422.554266	-422.553322	-422.59292	28.775
+C	-1.5610352253	 2.0052518794	 0.9750401525	-0.297393
+C	-0.0594945891	 1.8632194568	 0.9957547246	-0.052479
+C	 0.355667351	 0.7776810203	 0.3406911496	-0.088959
+C	-0.8043649567	 0.0250485968	-0.2566790315	 0.052376
+O	-0.8985607891	 0.3674645645	-1.6438137277	-0.27491
+C	-2.1653541791	 0.0238752748	-2.1807418727	-0.077732
+C	-3.2564217318	 0.7883127411	-1.4487304845	-0.084235
+O	-3.2602358617	 0.4547907125	-0.068743744	-0.272009
+C	-2.0000554636	 0.5763517666	 0.5626744518	 0.113768
+H	-1.9889352794	 2.3073649974	 1.9360633483	 0.107402
+H	-1.8759771278	 2.7542068811	 0.2369436826	 0.118476
+H	 0.5905753092	 2.5813987954	 1.4840355385	 0.098598
+H	 1.3858151568	 0.4792936442	 0.1887626509	 0.099919
+H	-0.7281051166	-1.0698775975	-0.1695614108	 0.065405
+H	-2.1425143684	 0.2903544705	-3.2419454663	 0.106369
+H	-2.3473611787	-1.0603028686	-2.0921474235	 0.090672
+H	-3.1000448673	 1.8686786977	-1.5949133455	 0.095416
+H	-4.249447254	 0.5284399763	-1.8284362371	 0.106325
+H	-2.0809858683	-0.0256199994	 1.4736422949	 0.092992
+19
+0 353	3.0485451	1.637551	1.2609745	1.7541	75.5	-0.25065	0.0126	0.26325	1021.8022	0.160282	-422.569718	-422.562606	-422.561662	-422.601111	28.369
+C	-1.6188479056	 1.9161612635	 1.0110205172	-0.270928
+C	-0.1104013445	 1.8737216827	 0.958432175	-0.052095
+C	 0.3384786283	 0.7915909041	 0.3231612011	-0.083898
+C	-0.8077776458	-0.041102802	-0.1954868991	 0.064997
+O	-0.9669740532	 0.2784995501	-1.5887492733	-0.260947
+C	-2.23539073	-0.0584898436	-2.0759287461	 0.019659
+O	-3.2632650886	 0.6445171983	-1.4301931448	-0.229447
+C	-3.3404654775	 0.2610268312	-0.0642218593	-0.120845
+C	-2.0049371121	 0.4625709989	 0.6529334361	-0.016888
+H	-2.0121644356	 2.2235607324	 1.986150149	 0.100903
+H	-2.0104450944	 2.6250348498	 0.2688647876	 0.127748
+H	 0.5130777959	 2.6612526318	 1.3678625752	 0.097524
+H	 1.3736758197	 0.5566563784	 0.1081436705	 0.098438
+H	-0.6625380791	-1.1280148391	-0.1013083534	 0.063775
+H	-2.2583994663	 0.2301765492	-3.1288032722	 0.115489
+H	-2.4113408033	-1.1482595593	-1.9749414177	 0.068479
+H	-4.1341358063	 0.8636686152	 0.3872270935	 0.110432
+H	-3.6417552367	-0.7983574396	 0.0018162372	 0.087272
+H	-2.0158853047	-0.1235135721	 1.5795910635	 0.080331
+19
+0 354	4.550738	0.9269879	0.7950194	1.28	79.83	-0.23187	0.00589	0.23776	1414.7124	0.157469	-422.524457	-422.516083	-422.515139	-422.55829	30.269
+C	-2.8869294041	-1.5337775552	 0.2685948916	-0.170408
+O	-3.1681404298	-2.4687111806	 1.3360358502	-0.275104
+C	-1.8330967129	-2.3316431177	 1.8775365278	-0.168225
+C	-1.4757318128	-1.3549587025	 0.7814773786	 0.180055
+C	-0.4088956811	-0.660337392	 0.4275191512	 0.146599
+C	 0.9440467516	-0.6475491334	 1.1090069809	-0.331699
+C	 1.8310374632	-0.0235627688	 0.0192160718	-0.080044
+O	 0.9799488576	 0.8768943603	-0.6772623121	-0.249462
+C	-0.2980197315	 0.2631762806	-0.774158523	-0.159804
+H	-2.9911358292	-1.9949963254	-0.724153671	 0.11144
+H	-3.5371113429	-0.64798685	 0.3122030892	 0.111888
+H	-1.8420976692	-1.9328235432	 2.9019794869	 0.111607
+H	-1.2857936258	-3.2854586383	 1.8782918386	 0.110356
+H	 0.9252082677	-0.0028223765	 1.9963979514	 0.123014
+H	 1.2780583194	-1.6403234916	 1.4238536652	 0.112874
+H	 2.6780717557	 0.5479945917	 0.4058410207	 0.112083
+H	 2.2155870327	-0.8030553939	-0.658940425	 0.092253
+H	-1.0550299447	 1.0551088926	-0.7891921852	 0.11981
+H	-0.389493204	-0.306932506	-1.7148762678	 0.102769
+19
+0 355	3.8957608	1.1886714	1.1246273	1.1579	75.3	-0.23676	0.05997	0.29673	1150.0108	0.157102	-422.467604	-422.459695	-422.458751	-422.501165	29.637
+C	 0.6183768339	 0.8304037821	-1.2791884649	-0.057544
+C	-0.0211749266	-0.1577192302	-0.283829454	-0.299047
+C	 0.9500218953	 0.4711799884	 0.7396423827	-0.011108
+O	 1.4381632169	 1.4163109997	-0.2414506705	-0.292951
+C	 0.3701624091	 1.1800763274	 1.9257960441	 0.442052
+C	 1.095602344	 2.0416098671	 2.9944382251	-0.258332
+C	-0.3506724478	 1.7568035401	 3.4571258021	 0.047586
+C	-0.8731566653	 2.102625185	 2.0440342369	-0.261639
+O	-0.1851449789	 0.3456822481	 3.0258842422	-0.353102
+H	 1.2298809044	 0.3732739629	-2.0667113068	 0.104638
+H	-0.051483236	 1.5689951933	-1.7341259536	 0.107078
+H	-1.0762591016	 0.0163568419	-0.0692047501	 0.118946
+H	 0.1348685719	-1.2166063817	-0.4900827579	 0.116918
+H	 1.7475871418	-0.2018662316	 1.0832289115	 0.084153
+H	 1.8726746586	 1.5199427627	 3.5544461133	 0.10589
+H	 1.3652895299	 3.0659926861	 2.7292410446	 0.103965
+H	-0.8164653187	 1.9302114487	 4.4266976777	 0.096163
+H	-1.8254487573	 1.6403056663	 1.7809291854	 0.103838
+H	-0.7811458635	 3.1335890936	 1.6955216122	 0.102495
+19
+0 356	3.9577216	1.1713843	1.1042552	3.2732	75.21	-0.24035	0.07365	0.314	1154.1689	0.157409	-422.465276	-422.457487	-422.456542	-422.49827	29.439
+C	-0.1942602805	 1.1334915664	 0.67526321	-0.083364
+O	 0.1193666861	-0.2431368211	 0.3873797201	-0.26991
+C	 1.3381137692	 0.1234927177	-0.2883264676	-0.083362
+C	 1.1727885324	 1.6064104797	 0.1239794051	-0.202515
+C	 1.1630083455	 2.6286414747	-0.9630041162	 0.4277
+C	 0.6693546348	 4.1041687396	-0.9441931638	-0.263636
+C	 0.9510518394	 3.6803252357	-2.4021442587	 0.054128
+C	 2.2845689984	 3.0390266884	-1.9604621719	-0.263639
+O	 0.2692121457	 2.392381617	-2.1359225299	-0.33938
+H	-1.053517377	 1.4891928336	 0.0938864744	 0.114992
+H	-0.3774522624	 1.3006523566	 1.7426734329	 0.099771
+H	 2.2092021385	-0.4042291941	 0.116126673	 0.099772
+H	 1.2746864542	-0.0453594198	-1.3701379002	 0.114976
+H	 1.8703587397	 1.9190817856	 0.9055887687	 0.087331
+H	-0.3841911828	 4.238500141	-0.6956049428	 0.10904
+H	 1.3180134243	 4.8567815949	-0.4884224154	 0.095154
+H	 0.7027470211	 4.190818394	-3.3318441354	 0.098744
+H	 2.6496163542	 2.2378757827	-2.6044312197	 0.109042
+H	 3.0800700391	 3.6948067574	-1.5970828426	 0.095157
+19
+0 357	4.3547593	0.9826172	0.917332	2.4918	78.94	-0.22936	0.00518	0.23454	1322.5045	0.157674	-422.53053	-422.522107	-422.521163	-422.564838	29.978
+C	-0.5981797062	-3.1268735862	 0.6246082209	-0.059635
+C	-1.6974604584	-2.1536714801	 0.1622343149	-0.298183
+C	-0.8572572295	-1.0774844973	 0.9063739014	 0.030609
+O	 0.2085744314	-2.0415518577	 1.1311863569	-0.292763
+C	-0.3990446383	 0.1240805911	 0.1603608183	 0.329541
+C	-0.6866571711	 1.4005820643	 0.4037607849	-0.235662
+C	-0.0322539134	 2.2825158832	-0.6188678751	-0.100155
+O	 0.6712687036	 1.3945935249	-1.4828794864	-0.268167
+C	 0.5049079693	 0.0483363042	-1.0461432847	-0.155065
+H	-0.9000149598	-3.815877869	 1.4241020901	 0.102156
+H	-0.0775632645	-3.6946707603	-0.1542531553	 0.108701
+H	-1.7467796943	-2.0091540347	-0.9181496578	 0.116703
+H	-2.7030884664	-2.321641327	 0.5493052249	 0.114028
+H	-1.312647402	-0.7739288803	 1.8586800788	 0.076041
+H	-1.2966652521	 1.7800708699	 1.2145278688	 0.101751
+H	-0.760959844	 2.8712498151	-1.1993833292	 0.104416
+H	 0.6687662082	 3.000530694	-0.1628340656	 0.106518
+H	 0.0759428522	-0.5547214694	-1.862489785	 0.098313
+H	 1.4782405354	-0.3957185448	-0.7932717307	 0.120854
+19
+0 358	4.4258011	0.9339191	0.8785329	2.0645	78.45	-0.23195	0.00965	0.24159999999999998	1354.2517	0.157798	-422.526791	-422.518355	-422.517411	-422.561374	29.846
+C	-0.2293083427	-0.9315070371	 2.6595577403	-0.086735
+O	 0.0859619856	-2.3229701547	 2.4717954073	-0.269426
+C	-0.3429104182	-2.2836443744	 1.0987194991	-0.08669
+C	-0.8864243178	-0.8348217445	 1.2534471188	-0.153638
+C	-0.4352530027	 0.2206736127	 0.3058473027	 0.316129
+C	-1.1933553202	 1.0741279709	-0.3807334727	-0.226214
+C	-0.3412927202	 1.9751700284	-1.2234032006	-0.101805
+O	 0.9996963889	 1.5669474861	-0.9647555764	-0.264336
+C	 1.0143496579	 0.4920871838	-0.0329797439	-0.158206
+H	-0.8955703162	-0.7680637454	 3.5141324102	 0.107968
+H	 0.6724796738	-0.3188667848	 2.7902795555	 0.102876
+H	 0.4986092218	-2.3883114527	 0.4012085417	 0.102874
+H	-1.0877245085	-3.0553644105	 0.8737534771	 0.107976
+H	-1.976219351	-0.8221192899	 1.3217938872	 0.084968
+H	-2.2747465227	 1.133465618	-0.3550801808	 0.100463
+H	-0.5608560028	 1.8800655379	-2.2991357948	 0.105674
+H	-0.4656436129	 3.0389241245	-0.9637636307	 0.105674
+H	 1.5118220911	-0.3826975714	-0.4814114891	 0.106233
+H	 1.6067787068	 0.7744895731	 0.8519426591	 0.106214
+19
+0 359	4.5617896	1.0164795	0.9785921	2.3837	75.93	-0.23154	0.07392	0.30546	1267.5974	0.157437	-422.461306	-422.453533	-422.452588	-422.494561	29.177
+C	-2.5512138092	 2.865916004	 1.657745852	-0.058483
+C	-1.0865048412	 3.3100099929	 1.4800399477	-0.302267
+C	-0.7998012098	 1.7992549088	 1.3073069592	 0.117506
+O	-2.2216797083	 1.4960695259	 1.3495920397	-0.299913
+C	-0.1761388674	 1.3415440405	 0.0139951409	 0.018881
+C	 1.3734166151	 1.2384355443	-0.0889276113	 0.030911
+C	 1.2196171344	 0.2448834832	-1.2646142242	-0.223742
+C	 0.2480016147	-0.1490055243	-0.1277750226	 0.040121
+O	 1.344610537	 0.0872465746	 0.844972106	-0.313656
+H	-2.9454856744	 2.9713983674	 2.6769241144	 0.100487
+H	-3.2814615165	 3.2815853321	 0.953473771	 0.102223
+H	-0.8999975876	 3.9053779443	 0.583049014	 0.104706
+H	-0.6157864428	 3.7944233918	 2.3365111656	 0.11163
+H	-0.2758618947	 1.3424090157	 2.153009707	 0.092837
+H	-0.6865635232	 1.7717204412	-0.8540049071	 0.070496
+H	 2.1334879085	 2.0021374337	 0.080333638	 0.095502
+H	 0.7979601311	 0.6120598378	-2.2035794267	 0.097781
+H	 2.0624837962	-0.4323015548	-1.4039959009	 0.110574
+H	-0.3513702919	-1.0499786992	-0.0009111527	 0.104404
+19
+0 360	4.5609468	0.9795889	0.9481108	1.8253	75.46	-0.24085	0.08202	0.32287	1284.9124	0.157472	-422.45745	-422.449634	-422.44869	-422.491223	29.009
+C	-1.1421815481	 3.2466907358	 1.5022559826	-0.085999
+O	-2.5532036411	 2.9787165099	 1.6207940139	-0.271146
+C	-2.3414294921	 1.5581423254	 1.5027522294	-0.086073
+C	-0.812192185	 1.742124192	 1.3465298963	-0.069593
+C	-0.2116283178	 1.3154607196	 0.0288553428	 0.017219
+C	 1.3374585743	 1.3135027029	-0.1375968116	 0.03246
+C	 1.2048093654	 0.3118044897	-1.3078146646	-0.223328
+C	 0.3055715862	-0.1449713027	-0.1360067935	 0.032377
+O	 1.4189197684	 0.1625384915	 0.7948393061	-0.31289
+H	-0.9147560295	 3.874477767	 0.6294877238	 0.093475
+H	-0.7387593635	 3.7321952439	 2.3996705295	 0.101109
+H	-2.666703292	 1.0176759109	 2.4004774682	 0.10109
+H	-2.8594980503	 1.1362541873	 0.6302981458	 0.093476
+H	-0.2255505656	 1.3258067462	 2.165373701	 0.098989
+H	-0.7711443546	 1.7104206241	-0.8270353799	 0.075154
+H	 2.052227701	 2.1247727959	 0.0051582049	 0.096544
+H	 0.7252559535	 0.6501105446	-2.2296436601	 0.098403
+H	 2.0833299118	-0.3099552875	-1.4799787652	 0.112195
+H	-0.2214854707	-1.0887551763	 0.0086102505	 0.09654
+19
+0 361	5.1305725	0.9100276	0.8372426	3.0699	76.26	-0.23405	0.07076	0.30481	1391.0891	0.157316	-422.481321	-422.473282	-422.472338	-422.514811	29.676
+C	 0.6749202623	-2.0424867886	 3.853389382	-0.061961
+C	 1.3312637069	-0.7000544465	 3.4792804067	-0.297595
+C	 1.2325397514	-1.2233294829	 2.0252653089	 0.133364
+O	 0.4783142641	-2.3819945375	 2.4649150888	-0.293526
+C	 0.4936871309	-0.4009636529	 1.0133295354	-0.050985
+C	 1.3458556907	 0.4726468683	 0.1039642252	-0.150082
+C	 0.4338223948	 1.2220141846	-0.8606997537	-0.097932
+O	-0.2273758581	-0.0113014597	-1.2570407288	-0.289805
+C	 0.6648139506	-0.76289843	-0.432869452	 0.094706
+H	 1.3397157129	-2.7557093119	 4.358275076	 0.09952
+H	-0.2726831459	-1.994719607	 4.4017701145	 0.106322
+H	 0.7074603692	 0.1754001907	 3.6705125087	 0.1116
+H	 2.335791416	-0.5188379916	 3.8639619873	 0.10917
+H	 2.205954372	-1.5338634421	 1.6144467428	 0.066209
+H	-0.4839725806	-0.0416837752	 1.3310457292	 0.08932
+H	 2.389601601	 0.6848256827	 0.2935362668	 0.09998
+H	-0.2650716693	 1.9554148501	-0.4411210239	 0.106523
+H	 0.9652583995	 1.6601593175	-1.7129993392	 0.111482
+H	 1.0277784717	-1.7153315381	-0.8017032146	 0.113691
+19
+0 362	5.1809024	0.8709595	0.8052099	1.9885	75.54	-0.23637	0.07495	0.31132	1418.5417	0.157327	-422.477091	-422.469007	-422.468063	-422.510796	29.601
+C	-0.8797079887	 1.3374180337	-0.6929361557	-0.098119
+O	-0.7365956436	-0.0126464103	-1.2176852357	-0.289658
+C	 0.5057645003	-0.156798664	-0.5288633372	 0.08841
+C	 0.4854355632	 1.2651365204	-0.0183584236	-0.146783
+C	 1.5248328411	 0.8212394949	-1.0370570277	-0.05311
+C	 2.9401190325	 0.685597077	-0.5494514842	-0.053966
+C	 3.8957050403	 1.8939301561	-0.7143045719	-0.084354
+O	 4.8576880776	 1.092358101	-1.4273568418	-0.270465
+C	 3.9626238862	-0.0368878177	-1.4609068324	-0.089696
+H	-1.0198447113	 2.0810049485	-1.4865299287	 0.107544
+H	-1.7167649728	 1.3847221335	 0.0126231293	 0.112187
+H	 0.7251320123	-1.1105969098	-0.0615183123	 0.106564
+H	 0.7452754237	 1.6756923968	 0.9482268719	 0.100652
+H	 1.4152687298	 1.1593284083	-2.0675205855	 0.090823
+H	 2.9514785573	 0.2928356426	 0.471947781	 0.077909
+H	 3.4930666838	 2.705361679	-1.3365926951	 0.097424
+H	 4.3155477086	 2.3238172697	 0.202599104	 0.101442
+H	 3.5961157387	-0.2426397692	-2.4761846483	 0.100394
+H	 4.4286901611	-0.9446590102	-1.0605414358	 0.102802
+19
+0 363	4.3692042	1.0674882	0.910176	0.4718	77.59	-0.22804	0.01431	0.24234999999999998	1291.0944	0.157615	-422.533697	-422.525419	-422.524475	-422.567763	29.896
+C	-1.1798136915	 5.0533740521	 0.0118208013	-0.060655
+C	-0.0114512646	 4.3996157718	 0.7769664736	-0.295024
+C	-0.7548349701	 3.0775662887	 0.4937320508	 0.148975
+O	-1.7875228422	 3.7677937865	-0.2483065373	-0.299078
+C	-0.0434524079	 2.0455079734	-0.381587242	 0.064737
+O	 1.0164841264	 1.4465663927	 0.3672863065	-0.281181
+C	 0.8593253024	 0.0280703124	 0.4031540495	-0.114935
+C	-0.4168895654	-0.2421130472	-0.3431766314	-0.096168
+C	-0.9240554963	 0.8985520118	-0.7955156899	-0.095636
+H	-1.8353598034	 5.6973791699	 0.6108545862	 0.102429
+H	-0.9221093949	 5.5777509679	-0.9159974902	 0.103892
+H	 0.9660987178	 4.4792925862	 0.2980688446	 0.117682
+H	 0.0812954747	 4.6732124471	 1.8281947303	 0.112258
+H	-1.1615499894	 2.5749473413	 1.3810797715	 0.074209
+H	 0.3735535095	 2.5726934566	-1.256670008	 0.077755
+H	 1.7305901154	-0.4578031044	-0.0648362441	 0.105146
+H	 0.8216872456	-0.3152197524	 1.4484636461	 0.106971
+H	-0.8253328452	-1.2360944875	-0.4752799331	 0.106969
+H	-1.8307554508	 1.0404643629	-1.3676305341	 0.121653
+19
+0 364	4.3968073	1.0314516	0.886674	2.7982	77.1	-0.23517	0.00984	0.24500999999999998	1305.8699	0.157667	-422.529299	-422.521001	-422.520057	-422.563597	29.75
+C	-0.130903595	 4.1876215954	-2.3562849177	-0.089872
+O	-0.8278917978	 4.9738343274	-1.3714206216	-0.273834
+C	-1.1676291641	 3.7952389416	-0.6074404156	-0.084023
+C	-0.3298109485	 2.892018736	-1.5378838505	-0.033487
+C	 0.9317135665	 2.3056078207	-0.9085655266	 0.074437
+O	 0.5663109886	 1.3571464274	 0.1002889884	-0.281224
+C	 1.1794413683	 0.0950120969	-0.1515417811	-0.116977
+C	 1.9345049566	 0.2773625921	-1.4377786994	-0.096484
+C	 1.803853024	 1.5289585925	-1.8602344533	-0.101102
+H	-0.6339975298	 4.2057393156	-3.3316922582	 0.098543
+H	 0.9070925768	 4.5218705987	-2.489441816	 0.095958
+H	-0.8242637746	 3.8603625248	 0.4314816558	 0.112716
+H	-2.247095704	 3.6000457079	-0.6156982407	 0.098038
+H	-0.8881130318	 2.1001110903	-2.0415085698	 0.078389
+H	 1.4931394119	 3.130735316	-0.4350861776	 0.086143
+H	 1.8421340854	-0.17612144	 0.6860611581	 0.10703
+H	 0.4084830725	-0.688095147	-0.218520946	 0.107894
+H	 2.4975120294	-0.516313369	-1.9123888139	 0.108944
+H	 2.2405461657	 1.9653933927	-2.7495224246	 0.10891
+19
+0 365	2.7934453	1.6446573	1.5673994	1.7842	74.62	-0.23844	0.0868	0.32524000000000003	962.6303	0.15882	-422.514506	-422.507238	-422.506294	-422.545785	29.362
+C	 0.6184040347	 1.3853373961	-0.0300984894	-0.353252
+C	 1.4219505664	 0.1033061947	-0.0285041285	-0.36946
+C	-0.0742545026	 0.0629433616	 0.0359527951	 0.377361
+C	-0.9029860779	-0.6175723536	 1.1372493258	 0.031495
+C	-1.1100465339	-1.7861525971	 0.1311613649	-0.234816
+C	-0.9914268726	-0.675606136	-0.952020572	 0.031494
+O	-2.2587896853	-0.0185455706	-1.0543095655	-0.284592
+C	-2.5599011259	 0.7069622903	 0.1232834483	 0.035467
+O	-2.1587220795	 0.0471177847	 1.3096288534	-0.284592
+H	 0.632601186	 1.99861367	 0.8654021798	 0.122148
+H	 0.5554923257	 1.9480199399	-0.9561984405	 0.122148
+H	 1.9039521877	-0.1994649704	-0.9529269436	 0.117363
+H	 1.9810053589	-0.1489091566	 0.8672628344	 0.117363
+H	-0.483737223	-0.7922874715	 2.1297312875	 0.078705
+H	-0.2683680927	-2.4820591661	 0.1148625348	 0.102359
+H	-2.0644736871	-2.3114386426	 0.1861540571	 0.102752
+H	-0.6570771122	-0.9060315031	-1.9651493003	 0.078705
+H	-2.0826613232	 1.6959619341	 0.0756098678	 0.094185
+H	-3.6459535036	 0.8216528663	 0.1660712309	 0.115168
+19
+0 366	2.7821788	1.6224619	1.5401908	1.3909	74.72	-0.23289	0.07942	0.31231000000000003	974.754	0.158443	-422.514129	-422.506764	-422.505819	-422.545604	29.372
+C	 0.7520107227	 1.3833945494	-0.0410650106	-0.336578
+C	 1.5413472929	 0.0856739144	-0.0364713188	-0.360769
+C	 0.0496518787	 0.0718048418	 0.0273708037	 0.437894
+C	-0.8302856638	-0.5751739259	 1.0940015165	-0.035815
+C	-2.0888563074	 0.2570272301	 1.3177114082	-0.066302
+O	-2.4770090691	 0.9069021827	 0.1103038084	-0.270907
+C	-2.1910869044	 0.1863766809	-1.0854898814	-0.066302
+C	-0.9160027881	-0.6344127577	-0.9209648783	-0.035819
+O	-1.1926449656	-1.6123041235	 0.1297307436	-0.305102
+H	 0.7764962331	 2.0008926155	 0.8510070702	 0.116585
+H	 0.6991952492	 1.9474065335	-0.9666996435	 0.116584
+H	 2.0189319058	-0.2258224199	-0.960097011	 0.116264
+H	 2.0962967043	-0.1723033404	 0.8600120483	 0.116263
+H	-0.394154098	-0.9770889611	 2.0132340881	 0.08156
+H	-2.8862312085	-0.4063881819	 1.6863196338	 0.100698
+H	-1.9253475895	 1.0525962937	 2.0537137573	 0.104744
+H	-3.0152046944	-0.4955234662	-1.3455683668	 0.100698
+H	-2.0926074893	 0.9370062838	-1.87809411	 0.104744
+H	-0.5584385086	-1.0906301292	-1.8487298779	 0.08156
+19
+0 367	3.0104589	1.4784789	1.4783712	0.6698	74.46	-0.25419	0.07557	0.32976000000000005	992.9488	0.158825	-422.51797	-422.510682	-422.509738	-422.549398	29.102
+C	 0.4126398439	 1.2358315598	-0.0494181805	-0.305153
+O	 0.0525806628	-0.1609398097	-0.0338747105	-0.307546
+C	 1.4242802543	 0.1865301899	 0.0274642361	 0.520096
+C	 2.3371873664	-0.312502991	 1.148811113	-0.138954
+C	 2.8062883514	-1.4058646264	 0.1363454517	-0.236971
+C	 2.4449449072	-0.3638632671	-0.9701117796	-0.138952
+C	 3.5996776931	 0.6486668269	-1.0754047684	-0.074658
+O	 4.2932881597	 0.7729392156	 0.1591529998	-0.25534
+C	 3.4777858717	 0.7067590257	 1.3215864799	-0.074658
+H	 0.2272997567	 1.7505194849	-0.9916442233	 0.115219
+H	 0.1339863113	 1.7949945688	 0.8431810094	 0.115219
+H	 1.885246106	-0.5975280958	 2.1010096196	 0.07944
+H	 3.8444850458	-1.7366700604	 0.1971605671	 0.107594
+H	 2.1287853692	-2.2607699378	 0.122613465	 0.115197
+H	 2.0911779533	-0.6956786911	-1.9483345298	 0.079439
+H	 4.3481961588	 0.3146261285	-1.801766302	 0.110057
+H	 3.2134374723	 1.6251340053	-1.4113908895	 0.089956
+H	 4.1479833669	 0.4100464516	 2.135381595	 0.110058
+H	 3.0618750492	 1.6973689223	 1.5691046071	 0.089956
+19
+0 368	2.9453736	1.5081779	1.4946885	1.9106	74.32	-0.23471	0.07934	0.31405	992.1611	0.158692	-422.515275	-422.507916	-422.506972	-422.546771	29.368
+C	 0.2927213401	 1.1275756174	 0.0037225328	-0.298269
+O	 0.0797285446	-0.2994167486	-0.0556853993	-0.30057
+C	 1.4042773025	 0.1892500332	 0.0575257033	 0.502673
+C	 2.3566505129	-0.2774617189	 1.1666946657	-0.126054
+C	 2.9355787073	-1.2595900882	 0.0952134447	-0.27477
+C	 2.4936756889	-0.1940880623	-0.9538312321	 0.02655
+O	 3.4215241975	 0.8779576256	-1.0754045703	-0.273868
+C	 4.1708573375	 1.1195087514	 0.1164275385	-0.065248
+C	 3.3661986449	 0.862493348	 1.4107367694	-0.231647
+H	 0.0820905882	 1.6674911913	-0.9182330515	 0.121607
+H	-0.0627404775	 1.6071922997	 0.9149723246	 0.114762
+H	 1.9219387576	-0.677519571	 2.0846494441	 0.077589
+H	 3.9904494363	-1.5364357968	 0.1433966265	 0.100966
+H	 2.3215212548	-2.1575897357	 0.0041783494	 0.121095
+H	 2.2056108802	-0.4983498236	-1.9614798023	 0.087394
+H	 5.066809563	 0.4833873088	 0.1152551027	 0.099311
+H	 4.5123136298	 2.1565376831	 0.0564078111	 0.109758
+H	 4.0633964091	 0.6024122542	 2.2152734296	 0.102052
+H	 2.8281039223	 1.7633438323	 1.726114623	 0.106669
+19
+0 369	2.9406008	1.4926713	1.4696988	2.8038	73.57	-0.24891	0.07001	0.31892	1003.7796	0.15865	-422.521265	-422.51388	-422.512936	-422.552856	29.353
+C	 0.4954099249	 0.8328061865	-0.7841162111	-0.291997
+O	-0.0183437362	-0.1293945154	 0.1603944475	-0.293318
+C	 1.358399501	 0.1694585137	 0.184443422	 0.506439
+C	 2.4494023843	-0.8910615336	 0.1008934109	-0.014667
+C	 3.6802138283	-0.3277365236	-0.6270110863	-0.227341
+C	 4.2932264642	 0.8077470554	 0.2343369771	-0.183455
+C	 3.2372274588	 1.5763077723	 1.0717170739	-0.227342
+C	 2.1000886828	 0.6103581498	 1.4404198341	-0.014667
+O	 2.6450576782	-0.7438103498	 1.543617279	-0.301886
+H	 0.4903088014	 0.5091790613	-1.8243348349	 0.118295
+H	 0.1758033259	 1.8609911041	-0.6182764568	 0.118295
+H	 2.1660184664	-1.9073711046	-0.1832456881	 0.091798
+H	 4.4271081652	-1.1115352293	-0.7877425206	 0.105572
+H	 3.3772427546	 0.0302450149	-1.6183400265	 0.100203
+H	 4.9953894393	 0.3478953614	 0.932874502	 0.121411
+H	 4.871823111	 1.4968359689	-0.3871534618	 0.09509
+H	 3.7072219877	 1.9826947788	 1.9728168632	 0.105571
+H	 2.8195727771	 2.427190675	 0.5201391465	 0.100203
+H	 1.5139257353	 0.8954697741	 2.3173750298	 0.091798
+19
+0 370	2.6982277	1.7807263	1.5726857	1.5404	74.32	-0.23893	0.08986	0.32879	946.0625	0.159195	-422.53837	-422.531212	-422.530268	-422.569608	28.85
+C	 1.6142190212	 0.090116262	-0.0618531561	-0.355212
+C	 0.780134897	 1.3594033704	-0.0371163555	-0.355215
+C	 0.1262639954	 0.0196347003	 0.0224489841	 0.439889
+C	-0.7024904336	-0.536471621	 1.1684022352	-0.021891
+C	-0.7258264574	-2.0234053539	 0.7865060447	-0.078875
+O	-0.8148011249	-1.982968531	-0.6566261565	-0.286479
+C	-0.8139992574	-0.5890630683	-1.004520519	-0.021923
+C	-2.1490383896	 0.0034499335	-0.5312631074	-0.078874
+O	-2.0117956641	-0.0052049652	 0.9086203509	-0.286481
+H	 2.0913921379	-0.1926922093	-0.9945006303	 0.119395
+H	 2.1933465604	-0.1535387472	 0.8235849008	 0.115273
+H	 0.7947079743	 1.9660418477	 0.8624852001	 0.119396
+H	 0.7006374766	 1.9319944795	-0.9561257281	 0.115273
+H	-0.4132378895	-0.3018528402	 2.1925985623	 0.082538
+H	 0.1841532504	-2.5579516271	 1.0884921452	 0.098017
+H	-1.602895423	-2.5310862295	 1.2012079194	 0.107306
+H	-0.5819420462	-0.4804208563	-2.0637832483	 0.082539
+H	-2.311217643	 1.0303846091	-0.8835435856	 0.098017
+H	-2.9954342443	-0.6236894434	-0.8300572458	 0.107306
+19
+0 371	2.6938728	1.7923969	1.5794233	2.5426	73.87	-0.24312	0.0868	0.32992	943.7448	0.159506	-422.547742	-422.540646	-422.539702	-422.578933	28.657
+C	 0.8466246694	 1.3362677365	-0.056404933	-0.355713
+C	 1.5258794598	-0.0236108048	-0.0600276201	-0.355713
+C	 0.0401857049	 0.0836549582	 0.0232905554	 0.418568
+C	-0.8627344878	-0.3704036262	 1.1670451841	-0.192986
+C	-2.1539156826	 0.3693134805	 0.762469032	-0.072763
+O	-2.1440744386	 0.2928642578	-0.6818515563	-0.274473
+C	-0.9552560996	-0.410811681	-1.0071672443	 0.136762
+O	-1.1060249911	-1.7853266033	-0.6874024176	-0.274472
+C	-1.0477304628	-1.8452884086	 0.7565542645	-0.072763
+H	 0.9400451004	 1.9488761185	 0.8348766825	 0.113121
+H	 0.8303295064	 1.9016472658	-0.982681401	 0.120519
+H	 1.9661710326	-0.372282123	-0.9887241298	 0.12052
+H	 2.0736563047	-0.3206666679	 0.8288480145	 0.11312
+H	-0.5240154942	-0.2039451135	 2.1893907539	 0.077654
+H	-3.0608373474	-0.1105998161	 1.1482586395	 0.102506
+H	-2.1472716741	 1.4211123557	 1.0732920855	 0.101131
+H	-0.7514237664	-0.3061547675	-2.0716442247	 0.091344
+H	-1.9753425897	-2.2837798339	 1.1424535347	 0.102507
+H	-0.2021510939	-2.4730536572	 1.0628915502	 0.101131
+19
+0 372	2.6358574	1.7725008	1.579904	1.0856	73.68	-0.23834	0.08491	0.32325	947.0563	0.159442	-422.545149	-422.537975	-422.537031	-422.576466	28.735
+C	 0.4385691173	 1.2244436475	-0.0200161234	-0.300156
+O	 0.0545581593	-0.1671504473	-0.030911583	-0.307067
+C	 1.4307376593	 0.1598113985	 0.0318429699	 0.515314
+C	 2.421043617	-0.3015558906	-1.0326538576	-0.150687
+C	 2.5614484702	-1.7983539779	-0.6548229133	-0.219785
+C	 2.4868972754	-1.7730897928	 0.9121560093	-0.221374
+C	 2.3035823776	-0.2716179178	 1.2023381414	 0.018425
+O	 3.5363211917	 0.4052511182	 0.9207151335	-0.287244
+C	 3.6669739791	 0.4380836462	-0.5201477528	-0.071901
+H	 0.2591580401	 1.7581898952	-0.9522458283	 0.117363
+H	 0.1759467208	 1.7697202541	 0.8851437137	 0.121141
+H	 2.1623386646	-0.0976258575	-2.0714537323	 0.075563
+H	 1.7373283579	-2.3768897055	-1.0789504358	 0.11306
+H	 3.4975024447	-2.2240025494	-1.0261694267	 0.099942
+H	 1.6375770835	-2.3528977879	 1.2843318742	 0.110922
+H	 3.3959538445	-2.1452178277	 1.3891913879	 0.108066
+H	 1.9755143363	-0.0062293541	 2.2070935688	 0.080301
+H	 3.7012534865	 1.4829376958	-0.8553407687	 0.098444
+H	 4.602835404	-0.0522456573	-0.8151577969	 0.099672
+19
+0 373	4.8488658	1.0134197	0.9860906	2.3239	75.83	-0.23411	0.06389	0.29800000000000004	1259.6574	0.156021	-422.495133	-422.486905	-422.485961	-422.528544	31.107
+C	-3.4920850793	 2.5777334046	 0.0148442797	-0.333261
+C	-2.631294635	 3.8376369645	 0.0150608693	-0.333258
+C	-2.0126710288	 2.4910007351	-0.1437427074	 0.451409
+C	-1.1640363243	 1.9114001948	-1.2670138658	-0.43967
+C	-0.3168763953	 1.3324574453	-0.1176034692	 0.364676
+C	 1.2005729578	 1.5504211204	 0.0151970968	-0.127957
+O	 1.444402871	 0.1292266593	-0.034259857	-0.274894
+C	 0.0318202583	-0.1604069722	 0.0149041482	-0.12796
+O	-1.177532798	 1.9202464695	 0.871232835	-0.322748
+H	-3.905556853	 2.2594033193	 0.9658577771	 0.127215
+H	-4.1211565792	 2.3751942509	-0.8461671132	 0.115671
+H	-2.6711548563	 4.497497796	-0.8458041867	 0.11567
+H	-2.4852039676	 4.3383205205	 0.9662142966	 0.127214
+H	-1.6567532099	 1.1674337202	-1.8972468852	 0.116331
+H	-0.6500357021	 2.6410007529	-1.8970416351	 0.116331
+H	 1.7005229438	 2.0870388745	-0.8003020413	 0.101529
+H	 1.484880725	 1.9929465049	 0.9786841416	 0.111087
+H	-0.2861493618	-0.8210654362	-0.8007998783	 0.101529
+H	-0.2771901751	-0.5863868942	 0.9782423648	 0.111087
+19
+0 374	4.7564015	1.0139044	0.9845307	0.5017	75.93	-0.24202	0.0579	0.29992	1267.8936	0.155973	-422.501747	-422.493502	-422.492558	-422.535382	31.081
+C	 4.4979696306	-1.2386753187	 0.6344763839	-0.269119
+O	 3.3596874446	-2.1110362141	 0.5566194851	-0.269115
+C	 3.1694376815	-0.7230909549	 0.3166493749	 0.440661
+C	 2.1754207432	 0.101419748	 1.1398062608	-0.373974
+C	 1.3709359499	 0.3417392916	-0.1678951344	 0.451471
+C	-0.0582760561	-0.2132644647	-0.3456053114	-0.343598
+C	-0.4373572388	 1.2519858247	-0.6313463179	-0.07615
+O	 0.9292945644	 1.6805055496	-0.4462921808	-0.315234
+C	 2.5634777471	-0.2144299274	-0.9946672842	-0.373974
+H	 4.9104824507	-1.0985262691	 1.6332857071	 0.113919
+H	 5.2360405891	-1.363506473	-0.1574182746	 0.113919
+H	 1.6681666572	-0.4220281786	 1.9541745526	 0.112765
+H	 2.6006576659	 1.0384618377	 1.5118381954	 0.118354
+H	-0.185618368	-0.9046548738	-1.1803947956	 0.114912
+H	-0.5006282302	-0.6482582752	 0.5522895507	 0.114912
+H	-0.7975428498	 1.4651742804	-1.6445835367	 0.104565
+H	-1.1133330618	 1.7222039249	 0.0923830904	 0.104565
+H	 2.3420003678	-0.9704787579	-1.7521883108	 0.112765
+H	 3.1380879696	 0.601033483	-1.4442499978	 0.118354
+19
+0 375	4.7602565	0.9713157	0.9445168	1.0515	75.33	-0.24783	0.06185	0.30968	1280.5628	0.156186	-422.4947	-422.486461	-422.485517	-422.528396	30.779
+C	-2.2074112803	 4.18963975	-0.1099585315	-0.267374
+O	-3.2533686847	 3.2047289901	-0.1162353279	-0.270666
+C	-1.9151128275	 2.7560531205	-0.0834455137	 0.470519
+C	-1.2491237302	 1.8880274278	-1.153135472	-0.391871
+C	-0.3455419018	 1.3037616322	-0.0315695872	 0.300941
+C	 1.1645044058	 1.6230213865	-0.0065507424	-0.123085
+O	 1.5075800229	 0.2240292554	 0.0203493666	-0.273159
+C	 0.1183307021	-0.1619989328	-0.0012424172	-0.139262
+C	-1.2921317387	 1.9197487006	 1.0362583477	-0.391878
+H	-2.0912006424	 4.7508202955	-1.0365779775	 0.116615
+H	-2.1273551542	 4.7774867238	 0.8038680679	 0.116615
+H	-1.9441916742	 1.1414930739	-1.5518064233	 0.116874
+H	-0.7523178917	 2.3915770939	-1.9868021512	 0.109282
+H	 1.5581120707	 2.1256423697	-0.9003237207	 0.099218
+H	 1.5230275574	 2.1514048668	 0.8871270419	 0.099215
+H	-0.1315199268	-0.7544351117	-0.8917163431	 0.100933
+H	-0.1665006172	-0.7285070145	 0.8955811567	 0.10093
+H	-2.0027415565	 1.1846788981	 1.428785639	 0.116874
+H	-0.8281551926	 2.4475136543	 1.8738553581	 0.109281
+19
+0 376	3.4379804	1.4198872	1.3177565	2.6674	73.63	-0.2473	0.08019	0.32749	1024.608	0.158947	-422.532262	-422.525131	-422.524187	-422.56366	28.932
+C	 1.0661048202	 1.0298557274	-0.8731470552	-0.245336
+O	 0.0799059864	 0.2459414375	-0.1982007104	-0.291698
+C	 1.4404073602	 0.1126074562	 0.2174094329	 0.454188
+C	 1.7753506658	 0.6681019883	 1.6038733951	-0.290473
+C	 3.1575757469	 0.1601798477	 2.0250441737	 0.085978
+C	 4.1268538395	 0.0386157633	 0.828230179	-0.257295
+C	 3.4218488204	-1.3282621414	 0.6824411409	 0.085978
+C	 2.1114908389	-1.2251094545	-0.1038399165	-0.290474
+O	 3.0868484609	-1.2920267916	 2.0987010603	-0.293214
+H	 1.2571059587	 0.7495509416	-1.9090039549	 0.110064
+H	 1.01682034	 2.1029054893	-0.6882503129	 0.110064
+H	 1.7309117519	 1.7625698259	 1.6043654267	 0.098372
+H	 1.0414666583	 0.3051242845	 2.3316283454	 0.125461
+H	 3.5125990621	 0.6052445211	 2.9578048668	 0.080071
+H	 4.0548842355	 0.7612943675	 0.0128851342	 0.102609
+H	 5.161997476	-0.0711552705	 1.1536787349	 0.111803
+H	 4.0123142856	-2.2092574317	 0.4190696949	 0.080071
+H	 2.2792869243	-1.3259860383	-1.1815706082	 0.098372
+H	 1.4591616985	-2.0474210322	 0.2095867933	 0.125461
+19
+0 377	3.2083154	1.5704503	1.4614307	1.7794	73.64	-0.24645	0.08927	0.33572	979.8266	0.159492	-422.552367	-422.545299	-422.544354	-422.583704	28.589
+C	 0.4972194329	 1.3565243622	-0.0771091163	-0.318941
+C	 1.5594742056	 0.2803667078	-0.1104112083	-0.329698
+C	 0.1202767064	-0.0797558291	 0.1247790398	 0.401484
+C	-0.4088458219	-0.6769199942	 1.4430847433	-0.329307
+C	-1.462239883	-1.6575939558	 0.8777346855	 0.040016
+C	-2.6275711091	-0.8532024894	 0.2644013033	-0.082723
+O	-2.0282609667	-0.3344014367	-0.9348447702	-0.269594
+C	-0.6978124205	-0.8505113401	-0.9093998579	 0.080492
+O	-0.8257236088	-2.1326371115	-0.3235680397	-0.247201
+H	 0.4662862398	 2.0192928038	 0.7815997138	 0.111434
+H	 0.2134677253	 1.830109426	-1.0114969379	 0.119589
+H	 2.0065762813	 0.0281740612	-1.0671937442	 0.113353
+H	 2.2425275916	 0.2081621463	 0.7301888164	 0.110998
+H	 0.3693646434	-1.2215937944	 1.9849086838	 0.109851
+H	-0.8457943079	 0.067284939	 2.1149483844	 0.104441
+H	-1.7438843013	-2.4936756371	 1.5155619996	 0.088966
+H	-3.4796149551	-1.4902550469	 0.0019352037	 0.106766
+H	-2.9698726078	-0.0349683179	 0.9075946753	 0.101632
+H	-0.3063131744	-0.9080491032	-1.9250454344	 0.088442
+19
+0 378	3.258864	1.5351588	1.444967	1.7577	73.47	-0.24907	0.0879	0.33697	984.6183	0.159534	-422.552663	-422.545626	-422.544682	-422.583918	28.57
+C	 1.16275281	 1.2210250893	-0.0595368832	-0.328241
+C	 1.5509248628	-0.2408617916	-0.1025529413	-0.338865
+C	 0.1048299339	 0.1560203162	-0.0319616576	 0.415678
+C	-0.8917014456	-0.1154800873	-1.176858938	-0.332851
+C	-2.1284615041	-0.5054442137	-0.3405340252	 0.188045
+O	-2.6858688159	 0.6756061461	 0.2343923457	-0.277476
+C	-1.8157120318	 0.9780380056	 1.3395092788	-0.084403
+C	-0.7496373153	-0.127254518	 1.2050330034	-0.056186
+O	-1.5775577588	-1.2155467456	 0.7536937269	-0.248167
+H	 1.3644862676	 1.7733266737	 0.8535625985	 0.111031
+H	 1.2743534086	 1.8103267661	-0.9637410422	 0.116294
+H	 1.9195353387	-0.643700821	-1.0405924213	 0.114232
+H	 2.0139389369	-0.6733448578	 0.7789896146	 0.11324
+H	-1.0953837848	 0.7575500175	-1.8009792958	 0.112086
+H	-0.5702485935	-0.9443912786	-1.8148169688	 0.10679
+H	-2.9126058617	-1.0810943042	-0.8309511934	 0.092457
+H	-1.4048742695	 1.9873240148	 1.2359759922	 0.106248
+H	-2.3742111332	 0.9032412862	 2.2796882457	 0.103651
+H	-0.2170112843	-0.3975708775	 2.1160266709	 0.086437
+19
+0 379	3.2558455	1.5727426	1.4979665	2.3034	74.	-0.23222	0.08694	0.31916	968.2747	0.159245	-422.552477	-422.545486	-422.544542	-422.583606	28.733
+C	 0.6583449496	 1.3314717621	 0.177396161	-0.357128
+C	 1.5384030636	 0.1594611324	-0.2444042904	-0.34677
+C	 0.0894207292	-0.0462622995	 0.0522912564	 0.509491
+O	-0.7937692621	-0.3055442128	-1.0445383345	-0.30987
+C	-1.7637094104	-1.2037198407	-0.5192434054	 0.203856
+C	-1.9811416441	-0.7029146053	 0.9120736785	-0.262164
+C	-0.4726015534	-0.8785403089	 1.1990103366	-0.167117
+C	-0.3067452712	-2.3562358808	 0.7912475656	-0.074435
+O	-1.1916666753	-2.4878590601	-0.3440638536	-0.269327
+H	 0.799374516	 1.7562514119	 1.1661143141	 0.111205
+H	 0.3816138787	 2.0442832948	-0.5914608064	 0.124604
+H	 1.8383502214	 0.1118764174	-1.2850657696	 0.128304
+H	 2.2762280902	-0.2119943422	 0.4598877994	 0.111465
+H	-2.5955884087	-1.2748160817	-1.2169510605	 0.092185
+H	-2.321954392	 0.3322637521	 0.9604661186	 0.112903
+H	-2.6282307778	-1.3553771107	 1.501263944	 0.106356
+H	-0.1002714261	-0.6204859128	 2.1894341166	 0.079731
+H	 0.7166275778	-2.599923436	 0.487944661	 0.10983
+H	-0.6213255354	-3.0478431392	 1.5829356785	 0.09688
+19
+0 380	3.2323853	1.5800168	1.4870244	1.5973	73.71	-0.23249	0.08728	0.31977	975.1866	0.159167	-422.553771	-422.546689	-422.545745	-422.585045	28.87
+C	 0.7146703128	 1.3675850637	-0.0611605261	-0.345639
+C	 1.6252805957	 0.1484120493	 0.0513983665	-0.342718
+C	 0.140429777	-0.0017456935	 0.0952925898	 0.489922
+O	-0.5357218854	-0.5865153463	-1.0149213973	-0.315914
+C	-1.6396956193	-1.2722272262	-0.416449909	 0.181096
+C	-1.1244323929	-2.5783912813	 0.2173918034	-0.233792
+C	-0.4156173409	-2.0029902027	 1.4823453413	-0.224677
+C	-0.675614622	-0.4920165459	 1.2859270901	-0.051091
+O	-1.9934619712	-0.4801361989	 0.7010286202	-0.249635
+H	 0.663747101	 2.0570076625	 0.7753202876	 0.113385
+H	 0.6201371008	 1.8267632322	-1.0388504644	 0.125753
+H	 2.1294816077	-0.182134841	-0.84973781	 0.125406
+H	 2.1939279599	 0.0090949147	 0.9658703554	 0.112377
+H	-2.4593832873	-1.3374285801	-1.1307784435	 0.092039
+H	-1.9543336703	-3.2402091466	 0.4771622668	 0.106235
+H	-0.4503383155	-3.1076282551	-0.4580988325	 0.11235
+H	-0.8843702274	-2.3551414133	 2.4035630188	 0.105874
+H	 0.6497642459	-2.238066065	 1.5229418322	 0.110042
+H	-0.6458303985	 0.1355577535	 2.1749817307	 0.088987
+19
+0 381	3.1871354	1.603601	1.5119818	1.2302	74.56	-0.2268	0.0899	0.3167	965.1322	0.158951	-422.54285	-422.535786	-422.534842	-422.574053	28.924
+C	 0.996151379	 1.2876590108	 0.0431628492	-0.338905
+C	 1.5731406801	-0.1169388825	-0.088462397	-0.348981
+C	 0.1049312098	 0.0943990214	 0.1090994931	 0.494012
+O	-0.4740440006	-0.264669895	 1.3682767687	-0.32577
+C	-1.7943744052	-0.7329602247	 1.0466779021	 0.068122
+C	-2.6049433938	 0.4727404925	 0.5493664743	-0.08122
+O	-2.0345682436	 0.7335879552	-0.7506304877	-0.28005
+C	-0.9794715436	-0.2300599256	-0.9042620203	-0.011668
+C	-1.5776580573	-1.4964553828	-0.2708907435	-0.247322
+H	 1.1804597749	 1.8126581593	 0.9737187505	 0.122896
+H	 0.949627579	 1.9204711418	-0.8368942126	 0.119214
+H	 1.9330440697	-0.4455716491	-1.0583316478	 0.111517
+H	 2.1252656815	-0.5076879563	 0.7592668658	 0.122552
+H	-2.200445521	-1.2647459812	 1.9059363083	 0.085476
+H	-3.6767745498	 0.2586355835	 0.4481559054	 0.097429
+H	-2.4667564007	 1.3394436917	 1.2042057178	 0.110147
+H	-0.6682280685	-0.2513609816	-1.9475530055	 0.082314
+H	-2.4962293018	-1.8221842015	-0.7619416603	 0.106744
+H	-0.8727763881	-2.3224285957	-0.1654869106	 0.113493
+19
+0 382	3.1923353	1.5444823	1.4599564	2.639	73.73	-0.2427	0.07858	0.32128	976.4586	0.159387	-422.550951	-422.543937	-422.542993	-422.582162	28.547
+C	 0.7976288185	 0.9622960192	-0.8776947817	-0.280883
+O	-0.025927222	 0.1020575592	-0.0785346996	-0.29285
+C	 1.3540127108	 0.2204879046	 0.2560788288	 0.49451
+C	 1.7549825662	 0.8471367593	 1.6071225962	-0.309858
+C	 2.8365627647	-0.1478229063	 2.0762649616	 0.101479
+C	 3.5505695386	-0.5085784574	 0.7616960161	-0.241249
+C	 2.2411185381	-1.0187116683	 0.1202818888	-0.134557
+C	 1.7789424628	-2.0012757536	 1.2110381534	-0.076713
+O	 2.1901487165	-1.374545991	 2.443293641	-0.281786
+H	 0.9783191872	 0.6211469643	-1.8969352054	 0.111588
+H	 0.5914675672	 2.0278116173	-0.7773849393	 0.112814
+H	 2.15161585	 1.8614255534	 1.4926658674	 0.100702
+H	 0.9078670357	 0.8766892432	 2.2959394689	 0.125586
+H	 3.4487453688	 0.1799290709	 2.916473011	 0.077124
+H	 3.9836510247	 0.3519978771	 0.2453015258	 0.100951
+H	 4.3080536142	-1.2851891139	 0.8899887483	 0.107209
+H	 2.2898359388	-1.4427669972	-0.8824864174	 0.071147
+H	 0.6934147357	-2.1445912649	 1.207561423	 0.119801
+H	 2.2670406635	-2.9800015558	 1.1187241832	 0.094984
+19
+0 383	3.145951	1.5660222	1.4541875	0.6397	73.26	-0.24875	0.07529	0.32404	980.4284	0.159602	-422.554543	-422.547484	-422.54654	-422.585879	28.571
+C	 1.1321278925	 0.187417021	-1.3171274351	-0.268173
+O	 0.0463244004	 0.1094834348	-0.3798214081	-0.284267
+C	 1.3706773829	 0.2594710673	 0.1236153342	 0.473167
+C	 2.0002554733	-0.8490712929	 0.9827197189	-0.319313
+C	 2.5452492862	 0.00020815	 2.1521413098	 0.07625
+C	 1.3817985207	 0.5146992252	 3.0307728968	-0.220131
+C	 0.7783054337	 1.6262401166	 2.1186263541	-0.223536
+C	 1.7176253439	 1.5382860931	 0.8960281632	-0.02089
+O	 2.9825959613	 1.1944419157	 1.4745245226	-0.263748
+H	 1.3478979578	-0.7354100875	-1.8551037229	 0.114383
+H	 1.1618661923	 1.0927672806	-1.9227312798	 0.114793
+H	 1.2590719523	-1.5957689474	 1.2779271693	 0.115482
+H	 2.8170836487	-1.3510340385	 0.4575194842	 0.11049
+H	 3.3837918005	-0.4370780319	 2.6934531488	 0.078983
+H	 0.6660110777	-0.2728756755	 3.2788741133	 0.103943
+H	 1.7644773968	 0.9305965983	 3.9653829725	 0.10644
+H	-0.2623457817	 1.4461028764	 1.8427453668	 0.123352
+H	 0.8485816325	 2.6108956898	 2.5852905962	 0.103443
+H	 1.8094036081	 2.4414634451	 0.2934833353	 0.079334
+19
+0 384	3.1691736	1.5620322	1.4644271	3.0733	74.02	-0.23754	0.07682	0.31436	977.444	0.15938	-422.548	-422.54097	-422.540026	-422.579275	28.503
+C	 0.8227009169	 0.9725935224	-0.9342425829	-0.273846
+O	-0.0670966002	 0.1727636816	-0.147025916	-0.282116
+C	 1.2872988807	 0.2745948754	 0.2679048031	 0.497877
+C	 1.6313055445	 0.9547031192	 1.6086989836	-0.318231
+C	 2.6737023652	-0.0288351359	 2.1963036527	-0.051296
+C	 1.9444418318	-1.3438863508	 2.517908404	-0.07029
+O	 1.6265023047	-1.8955112717	 1.2251804416	-0.272958
+C	 2.1569077493	-0.9819487821	 0.2557453608	 0.014317
+C	 3.4397685839	-0.4655450664	 0.9227351877	-0.24164
+H	 1.0543842097	 0.578339581	-1.9236498024	 0.111829
+H	 0.6461241257	 2.0475233603	-0.8957101091	 0.110458
+H	 2.0615341654	 1.950041543	 1.4594240356	 0.102624
+H	 0.7399084576	 1.0594825694	 2.2332675979	 0.118597
+H	 3.267109395	 0.365911472	 3.0213524885	 0.071036
+H	 2.5795353685	-2.0504262356	 3.0684675228	 0.096159
+H	 1.0210370613	-1.1884129097	 3.0886952052	 0.103391
+H	 2.2279132458	-1.4973362299	-0.7017732489	 0.075622
+H	 4.1722003787	-1.2577522203	 1.0943472318	 0.107061
+H	 3.9088644056	 0.3664836384	 0.3907629442	 0.101406
+19
+0 385	3.3229747	1.4377777	1.3758285	0.7492	74.34	-0.23706	0.07783	0.31489	1022.4725	0.158067	-422.527311	-422.519845	-422.518901	-422.559241	29.52
+C	 0.8469173618	 1.3331724742	-0.0344671255	-0.345627
+C	 1.4746345256	-0.0421089319	-0.2026721191	-0.313956
+C	 0.0027083111	 0.1118457909	 0.0791390717	 0.446595
+C	-0.6547743832	-0.3921841785	 1.3555306055	-0.311341
+C	-1.4916095637	-1.5629970293	 0.847410876	 0.092116
+O	-0.7223288735	-2.7620293773	 0.602033192	-0.297057
+C	-0.8881402247	-2.6426547136	-0.8289061975	-0.101664
+C	-1.6353520449	-1.2995144735	-0.6744800565	 0.0527
+O	-0.9122966417	-0.1249435746	-0.9779062348	-0.299375
+H	 1.0587530941	 1.8981444308	 0.8671037151	 0.115102
+H	 0.7198439798	 1.9343534776	-0.9277501021	 0.12581
+H	 1.757923364	-0.3321325914	-1.207983391	 0.118477
+H	 2.1177412344	-0.4224279508	 0.5838723502	 0.115478
+H	 0.0625603664	-0.7039956345	 2.1174651655	 0.119215
+H	-1.3138608876	 0.3735697677	 1.7816640783	 0.106153
+H	-2.3866278639	-1.7691231212	 1.4420336641	 0.076531
+H	 0.0672647542	-2.5885613179	-1.3613741942	 0.111041
+H	-1.4929450807	-3.4623942667	-1.2368802033	 0.09953
+H	-2.6216874775	-1.22358048	-1.1330816143	 0.09027
+19
+0 386	3.2223535	1.432382	1.3730491	3.0625	74.11	-0.24259	0.07047	0.31306	1023.9297	0.158324	-422.531834	-422.524358	-422.523414	-422.56387	29.227
+C	 0.5963616115	 0.8695290919	-0.8101055292	-0.261382
+O	 0.0401555347	-0.1106078161	 0.071616011	-0.268601
+C	 1.442543685	 0.1801846502	 0.1641795994	 0.434148
+C	 1.9260691292	 0.8037133654	 1.4698892147	-0.304059
+C	 2.5293968595	-0.3741562706	 2.2482118916	-0.079716
+C	 1.5287948512	-1.4031097018	 2.8184568543	-0.078446
+O	 1.8445742418	-2.3620159178	 1.7863970488	-0.291008
+C	 2.8324525785	-1.4887259029	 1.1996686086	 0.128489
+C	 2.4072914051	-0.9511810507	-0.1695329249	-0.302611
+H	 0.6361864263	 0.5835326525	-1.8609226396	 0.110937
+H	 0.2844088505	 1.8976160288	-0.6260752396	 0.108946
+H	 2.7010728799	 1.550877845	 1.2589456084	 0.104619
+H	 1.1101443283	 1.305842019	 1.9969112225	 0.114523
+H	 3.3346047447	-0.0852712556	 2.9237197966	 0.075563
+H	 1.7723617483	-1.7875242212	 3.8167182091	 0.096881
+H	 0.4735335861	-1.1064203561	 2.7923395511	 0.115658
+H	 3.8253318718	-1.9512334962	 1.2003024616	 0.069748
+H	 3.2822598636	-0.556301264	-0.7016245868	 0.099942
+H	 1.940016564	-1.7213129998	-0.7873687074	 0.126369
+19
+0 387	3.2647821	1.4941732	1.276596	1.3861	74.39	-0.25204	0.07099	0.32303	1036.5948	0.15848	-422.528242	-422.52073	-422.519786	-422.560396	29.342
+C	 0.6090111782	 1.35007586	-0.1294617482	-0.310319
+C	 1.5137025921	 0.1474007901	-0.0261819913	-0.344906
+C	 0.0252350442	-0.0189123582	 0.0672780801	 0.34792
+C	-0.8064276529	-0.5354802063	 1.253234578	-0.349061
+C	-1.7714204594	-1.2236776231	 0.2395022436	 0.087577
+O	-3.0133189146	-0.580667653	 0.016625062	-0.256674
+C	-2.7659814685	 0.4752152938	-0.8895134644	 0.012683
+O	-1.725511592	 0.0551556871	-1.7452709858	-0.247824
+C	-0.8746265515	-0.7474018559	-0.9466480135	-0.002497
+H	 0.5771755824	 2.0399122437	 0.7081020591	 0.112984
+H	 0.4741395781	 1.8129009137	-1.1014285845	 0.125659
+H	 2.0100219342	-0.2021716676	-0.9265238944	 0.114702
+H	 2.0955658318	 0.0217910684	 0.881652896	 0.113104
+H	-0.2839335757	-1.2426886414	 1.9041615445	 0.105023
+H	-1.288537968	 0.2253405128	 1.8734344552	 0.107713
+H	-1.9584643162	-2.2885732182	 0.3819556568	 0.089164
+H	-3.6666468778	 0.6567951033	-1.4820752333	 0.120285
+H	-2.4748959585	 1.3908508891	-0.3472304626	 0.090198
+H	-0.3953243157	-1.4840642983	-1.5941902773	 0.084267
+19
+0 388	3.2884519	1.5048468	1.2996705	0.6568	74.78	-0.23273	0.07945	0.31218	1034.8334	0.158198	-422.528793	-422.521278	-422.520334	-422.560778	29.588
+C	 0.6081814041	 1.3538421502	-0.318475401	-0.327852
+C	 1.4205710134	 0.0984348244	-0.0255434153	-0.356248
+C	-0.0703618393	 0.0725113299	 0.0229389374	 0.444865
+O	-0.7982253702	-0.1231407154	 1.2403868329	-0.32941
+C	-1.7657981138	-0.9692705511	 0.5665396192	 0.094314
+C	-3.130488069	-0.31260144	 0.3905696674	-0.243381
+C	-2.8866459604	 0.6416655686	-0.7911937495	-0.08852
+O	-1.9457002121	-0.0318850927	-1.6324594379	-0.258252
+C	-1.0625539041	-0.748583886	-0.7990592799	-0.042407
+H	 0.605718052	 2.1300204353	 0.4394511535	 0.123253
+H	 0.538293467	 1.7094620615	-1.3411613802	 0.126099
+H	 1.9230179412	-0.4044151532	-0.8460505814	 0.115566
+H	 1.9435818291	 0.0574630612	 0.9238985624	 0.124324
+H	-1.7915432381	-1.9718877476	 1.0003238744	 0.082138
+H	-3.8699968058	-1.075421107	 0.1246807174	 0.10813
+H	-3.4613433014	 0.1982281601	 1.297604141	 0.116803
+H	-3.776933141	 0.8467296099	-1.3898248926	 0.109498
+H	-2.4725537165	 1.5952508872	-0.4370981709	 0.110106
+H	-0.6620715349	-1.5931378353	-1.3612844768	 0.090975
+19
+0 389	3.7050794	1.328215	1.1473292	1.4804	74.69	-0.23514	0.07107	0.30621	1104.5111	0.158155	-422.519113	-422.511482	-422.510538	-422.551475	29.562
+C	 0.6282864699	 1.3444800997	-0.0191716045	-0.342378
+C	 1.5605364277	 0.1556817861	-0.2310382134	-0.334445
+C	 0.1060231274	-0.0530126672	 0.0200719241	 0.461375
+O	-0.3773967148	-0.6331595357	 1.236239726	-0.322371
+C	-1.5478782563	-1.1457133888	 0.5481596827	 0.09812
+C	-1.6318781704	-2.6785446064	 0.4778991042	-0.10136
+O	-1.4952245086	-3.0157877009	-0.896812051	-0.249388
+C	-0.6435266578	-2.048697916	-1.4996052118	-0.095562
+C	-0.9834804677	-0.7067231393	-0.8224569698	-0.1896
+H	 0.6993617524	 1.870343904	 0.9267807633	 0.125887
+H	 0.383551043	 1.9694301475	-0.8723280132	 0.114187
+H	 1.9540484844	-0.0277433602	-1.2257595588	 0.116176
+H	 2.2387030969	-0.0946245397	 0.5777177946	 0.127405
+H	-2.460097116	-0.6629031786	 0.9099351001	 0.087031
+H	-0.8195326329	-3.1040047942	 1.0864383337	 0.104183
+H	-2.5876228683	-3.083166761	 0.8219100064	 0.10786
+H	 0.4154046533	-2.3025610296	-1.3365514964	 0.097406
+H	-0.842925403	-2.0612583382	-2.5740040422	 0.10869
+H	-1.5907665593	-0.0456441913	-1.4404358037	 0.086783
+19
+0 390	3.1708454	1.5197597	1.2897147	2.3908	74.55	-0.24063	0.06019	0.30082000000000003	1034.6909	0.158285	-422.526742	-422.519192	-422.518248	-422.559111	29.348
+C	 0.5288340919	 0.8475571752	-0.7463116092	-0.269399
+O	 0.1042167026	-0.201766412	 0.1325713142	-0.258351
+C	 1.4728664632	 0.1601035393	 0.1355662566	 0.428971
+C	 2.6035826226	-0.824905385	-0.1789349202	-0.339306
+C	 3.3357754053	-0.3612612691	 1.1195213155	-0.042227
+C	 3.2442250769	-1.3073298911	 2.3263930239	-0.230894
+C	 1.8282636139	-1.0413124955	 2.8694064969	-0.091103
+O	 1.5927979075	 0.3463052377	 2.6361736559	-0.243631
+C	 2.1917316333	 0.6747486189	 1.4056370975	 0.010898
+H	 0.5059731982	 0.6048504611	-1.808450429	 0.113231
+H	 0.1738903103	 1.8447535739	-0.4871886973	 0.116622
+H	 2.2878698056	-1.8724422518	-0.1843861044	 0.111386
+H	 3.1456059126	-0.6185407927	-1.1054860584	 0.108068
+H	 4.3373897655	 0.0399275317	 0.9653587639	 0.07397
+H	 3.4033378216	-2.356689719	 2.0625165622	 0.103231
+H	 3.9895030979	-1.0278962335	 3.0773233774	 0.10762
+H	 1.0790026732	-1.6510795803	 2.3440586512	 0.111728
+H	 1.7265906504	-1.2191719483	 3.942699885	 0.109377
+H	 2.4285149375	 1.7414731904	 1.4147159883	 0.079811
+19
+0 391	3.4150352	1.4166618	1.2265193	2.9418	74.81	-0.25065	0.06365	0.31429999999999997	1061.7964	0.158399	-422.527413	-422.519918	-422.518974	-422.559592	29.209
+C	 0.6239689249	 0.9584826255	-0.8086229917	-0.269735
+O	-0.0400389287	 0.0728496731	 0.1053678966	-0.266746
+C	 1.3547307307	 0.2701289646	 0.2554983062	 0.480092
+C	 2.0208673902	 0.8367409799	 1.5103555576	-0.336198
+C	 3.1809202125	-0.1903493695	 1.314088798	-0.028073
+C	 3.2502524353	-1.3009749202	 2.3604516353	-0.093704
+O	 2.0971779493	-2.0995289846	 2.1300098079	-0.248062
+C	 1.9491380435	-2.2073768619	 0.7174824926	-0.091309
+C	 2.3861521672	-0.8554175402	 0.1312022062	-0.161715
+H	 0.6949676637	 0.6016138708	-1.8360233749	 0.112811
+H	 0.3724173732	 2.0132075911	-0.7001406066	 0.114826
+H	 2.2987507481	 1.8927629018	 1.4720321343	 0.103815
+H	 1.4335732818	 0.6513126643	 2.4141872792	 0.124282
+H	 4.1492308487	 0.2468812558	 1.0705093119	 0.074214
+H	 4.1717124044	-1.8941645016	 2.232559718	 0.08574
+H	 3.2066750349	-0.9437153153	 3.393593173	 0.110017
+H	 2.5880416346	-3.0130487587	 0.3224607055	 0.086394
+H	 0.9036244495	-2.4458672206	 0.5072075755	 0.127579
+H	 2.8747528162	-0.9545625844	-0.8399078247	 0.075773
+19
+0 392	3.2459595	1.431299	1.2307952	1.4118	74.01	-0.2477	0.06235	0.31005	1056.4824	0.158131	-422.528612	-422.521081	-422.520137	-422.560811	29.485
+C	 0.6113984847	 0.8914753124	-0.8478715025	-0.268601
+O	 0.0383953309	-0.0931059697	 0.0228786635	-0.274831
+C	 1.4298052325	 0.1553923152	 0.1192638767	 0.447813
+C	 2.4927954925	-0.9240539298	-0.1057474656	-0.343522
+C	 3.2633758594	-0.3718980996	 1.1343176601	 0.106844
+O	 4.4295564569	 0.3804300359	 0.8557423599	-0.25751
+C	 4.04761738	 1.7115764813	 0.5198525606	-0.086078
+C	 2.8006091446	 2.0108862569	 1.3673570709	-0.236432
+C	 2.1050918348	 0.6471295716	 1.4115773284	-0.138731
+H	 0.6475552712	 0.6191717136	-1.9024020177	 0.115256
+H	 0.31465597	 1.920181241	-0.6452525958	 0.113642
+H	 2.0986730305	-1.9334188644	 0.0409548178	 0.117807
+H	 3.0474022937	-0.887344265	-1.0467266227	 0.112399
+H	 3.5144362868	-1.1070942597	 1.9004877614	 0.084906
+H	 4.8972730819	 2.3655223586	 0.7323177668	 0.110933
+H	 3.8146310867	 1.7924530285	-0.5538175979	 0.093466
+H	 3.0929393602	 2.3138211482	 2.3776004789	 0.110846
+H	 2.1815891816	 2.8038583109	 0.9391125912	 0.104387
+H	 1.5000555912	 0.4813680941	 2.3042288859	 0.087407
+19
+0 393	2.6390377	1.5030897	1.2317657	2.5521	74.78	-0.24804	0.0617	0.30974	1083.6504	0.156515	-422.493131	-422.484926	-422.483981	-422.526348	30.798
+C	-1.6996606579	 1.3301524426	-2.389396033	-0.325917
+C	-0.8332521	 2.5696220175	-2.4160753393	-0.325917
+C	-1.2125485201	 1.9399895935	-1.1118930336	 0.221416
+C	-2.0269770589	 2.5338495873	 0.0300433325	-0.145524
+O	-1.131809271	 1.9288652454	 0.9934283868	-0.318997
+C	-0.3185682541	 1.3383860998	-0.0300643768	 0.312542
+C	 1.2068184041	 1.5373181041	 0.0461388502	-0.132141
+O	 1.4326063594	 0.1143634676	-0.0281316573	-0.275448
+C	 0.0205633161	-0.1597677183	 0.0826628156	-0.13214
+H	-2.753304893	 1.4312040075	-2.6297271129	 0.118663
+H	-1.2560024716	 0.3946227201	-2.7148830211	 0.124006
+H	 0.1909979283	 2.4646256059	-2.7594121154	 0.124006
+H	-1.2951101999	 3.5172268695	-2.6746601566	 0.118664
+H	-2.0278579013	 3.6283264705	 0.1062581222	 0.105849
+H	-3.0532814948	 2.1613313501	 0.1378306854	 0.105849
+H	 1.6858057948	 2.0787676036	-0.778379576	 0.102106
+H	 1.5273580267	 1.9662526174	 1.0044852932	 0.110439
+H	-0.3397820323	-0.8190838925	-0.716012171	 0.102106
+H	-0.2525905746	-0.5801823216	 1.0592888372	 0.110439
+19
+0 394	2.7355447	1.5118281	1.2658849	2.2392	75.22	-0.22964	0.06619	0.29583000000000004	1072.28	0.156333	-422.496692	-422.488474	-422.48753	-422.529776	31.044
+C	-2.5383470814	 1.5374563371	-0.2926341072	-0.347576
+C	-1.7286156943	 2.75073994	-0.7309810939	-0.323257
+C	-1.3440273625	 1.9754885308	 0.484256143	 0.414583
+O	-1.4247018543	 2.5127571163	 1.8050482563	-0.316804
+C	-0.0856078985	 2.0500799242	 2.1001668572	-0.132628
+C	-0.0122180636	 1.2907976162	 0.7602503675	 0.283536
+C	 0.2126458345	-0.2303003262	 0.6647284568	-0.352188
+C	 1.3994819087	 0.1453110346	-0.2415020045	-0.075908
+O	 1.0880532709	 1.5527955224	-0.1214013284	-0.305606
+H	-3.5081298296	 1.720346543	 0.1577556169	 0.126751
+H	-2.4754334636	 0.6253447601	-0.878473003	 0.112232
+H	-1.0870521434	 2.6669947112	-1.6016407548	 0.126113
+H	-2.1695907781	 3.7286329785	-0.571456132	 0.124573
+H	 0.6349826794	 2.8741097049	 2.1636962628	 0.114062
+H	-0.0521245059	 1.4471773301	 3.0145291134	 0.102746
+H	 0.465996029	-0.7225807755	 1.605245496	 0.115543
+H	-0.5948444045	-0.7802514462	 0.1780764342	 0.118538
+H	 2.3947277269	-0.0852679767	 0.1555376222	 0.107433
+H	 1.3420518803	-0.1956845149	-1.2811597826	 0.107857
+19
+0 395	2.7440153	1.4410519	1.2121666	0.224	74.77	-0.2336	0.05865	0.29225	1092.978	0.156272	-422.488984	-422.480714	-422.479769	-422.522491	30.874
+C	-1.7208049513	 1.3468812849	-2.3265518695	-0.337773
+C	-0.8471951818	 2.5959893038	-2.3463526424	-0.337773
+C	-1.1986343864	 1.9320348638	-1.0562054129	 0.414125
+O	-2.0680896125	 2.5551108999	-0.1094252821	-0.314648
+C	-1.2900623515	 2.0281042586	 0.9879630646	-0.137736
+C	-0.3121344342	 1.3291709222	 0.0281339785	 0.129742
+C	 1.2124887828	 1.5262737893	 0.0939851853	-0.133504
+O	 1.4416779047	 0.1050790451	 0.1683719186	-0.274212
+C	 0.0272648012	-0.1687918924	 0.1206317728	-0.133518
+H	-2.7804805049	 1.472947751	-2.5206524876	 0.128508
+H	-1.2977070878	 0.4158967269	-2.6903652399	 0.119116
+H	 0.1669252672	 2.5100548371	-2.7235526614	 0.119118
+H	-1.3321202979	 3.543840262	-2.5534912705	 0.128509
+H	-0.8555919831	 2.8262489206	 1.6025655242	 0.106814
+H	-1.8815356241	 1.3592827411	 1.6254418429	 0.106809
+H	 1.6708973961	 1.9742375453	-0.79691672	 0.105632
+H	 1.57811871	 2.0525817392	 0.9858032733	 0.102581
+H	-0.2491564698	-0.7717558824	-0.7537496397	 0.10563
+H	-0.3282713068	-0.6738693057	 1.0286609158	 0.102581
+19
+0 396	2.6066052	1.5844377	1.2839775	1.2307	75.16	-0.23887	0.05507	0.29394	1059.1265	0.156684	-422.505429	-422.49727	-422.496326	-422.538384	30.827
+C	 2.7781423107	 0.4158387068	-2.2543833054	-0.259991
+O	 1.8658837349	-0.6927451081	-2.3607791391	-0.2829
+C	 2.2888105018	-0.29186503	-1.0733633035	 0.404581
+C	 3.047151358	-1.1313020658	-0.042416915	-0.337177
+C	 2.4021223088	-0.2275082647	 1.0540907445	-0.308527
+C	 1.3712128311	 0.2731091298	 0.0084950362	 0.38177
+C	-0.1105247737	-0.161002108	 0.0489546076	-0.350125
+C	-0.4013999956	 1.3513073791	 0.0280733373	-0.077083
+O	 1.0103627797	 1.6603852893	-0.0317398238	-0.319578
+H	 3.785921417	 0.2238874582	-2.6201326252	 0.114785
+H	 2.3582241356	 1.3892337788	-2.4992039726	 0.128167
+H	 2.6808272244	-2.1610287438	-0.0086278834	 0.117931
+H	 4.136555926	-1.1438621051	-0.1083946047	 0.111591
+H	 2.0040209885	-0.7194584357	 1.9438296174	 0.102925
+H	 3.0614370482	 0.5896923298	 1.3567475455	 0.120613
+H	-0.4353586031	-0.7080567621	-0.8371838484	 0.130171
+H	-0.4196771785	-0.6936097575	 0.9498035804	 0.109897
+H	-0.9369368588	 1.7249772547	-0.8516066823	 0.109012
+H	-0.8670158451	 1.7614674242	 0.9318124543	 0.103937
+19
+0 397	2.6227064	1.5054973	1.2259302	2.7153	74.7	-0.24583	0.06329	0.30912	1082.1023	0.156569	-422.495315	-422.487095	-422.486151	-422.528707	30.682
+C	-0.6455988443	 2.7958340878	-2.2906085102	-0.270776
+O	-1.373976057	 1.5580944325	-2.3041113427	-0.268574
+C	-1.0804160589	 2.1469275383	-1.0517909276	 0.402918
+C	-2.1226732349	 2.6066884636	-0.0303789583	-0.324228
+C	-1.0973295218	 2.2357045991	 1.0843163629	-0.313369
+C	-0.2385878049	 1.476184293	 0.0380253862	 0.214253
+C	 1.2976576631	 1.4173984281	 0.0590244461	-0.143206
+O	 1.298676169	-0.0218829616	 0.0891638507	-0.273625
+C	-0.1427679998	-0.0661925264	 0.0591139688	-0.124518
+H	 0.3923304256	 2.7272257894	-2.6132327121	 0.119684
+H	-1.1914970605	 3.661997447	-2.6633711451	 0.117238
+H	-2.4558014551	 3.6453605599	-0.0846989806	 0.109388
+H	-2.9998436004	 1.9536268639	-0.0318486555	 0.121054
+H	-0.5772361759	 3.1100810316	 1.48526247	 0.109007
+H	-1.4742396651	 1.6396964573	 1.9184125881	 0.109556
+H	 1.8021216665	 1.8115879083	-0.8335363306	 0.099116
+H	 1.7669078079	 1.8525507487	 0.9518714302	 0.0995
+H	-0.5202925289	-0.5612732009	-0.8433442612	 0.118761
+H	-0.5594717045	-0.5530129697	 0.9505230609	 0.097821
+19
+0 398	2.5204283	1.6256015	1.2824605	1.6185	74.86	-0.24686	0.06501	0.31187	1057.2087	0.156436	-422.501817	-422.493701	-422.492757	-422.534647	30.919
+C	-0.4369350004	-1.0623222409	-2.4758080332	-0.260149
+O	 0.6831736928	-1.7216059128	-1.8559504002	-0.257726
+C	-0.3012560806	-1.1469183199	-1.0250669738	 0.295831
+C	-1.0924887347	-1.9003790931	 0.0350644111	-0.160843
+O	-0.8456817388	-0.8311512809	 0.975282507	-0.33221
+C	-0.0274731226	-0.0907130879	 0.0475655455	 0.384205
+C	-0.3096618204	 1.4070495624	-0.1878040571	-0.292762
+C	 1.2261038351	 1.6341037334	-0.2778763332	-0.215786
+C	 1.4346675399	 0.2536410734	 0.4071275944	-0.283837
+H	-0.2012354055	-0.1332022275	-2.9927177978	 0.122167
+H	-1.1342421185	-1.7187462857	-2.9948800052	 0.120541
+H	-2.1621202771	-2.0464790176	-0.1559278445	 0.109114
+H	-0.6401677779	-2.8493690419	 0.3475840662	 0.116685
+H	-0.9351878388	 1.6787057005	-1.0422352933	 0.095097
+H	-0.7355045213	 1.8485918662	 0.7177338002	 0.117532
+H	 1.5852163446	 1.6375474308	-1.3101586284	 0.108689
+H	 1.6287199548	 2.510463152	 0.2326808105	 0.104413
+H	 2.2079994309	-0.4083073104	 0.012600611	 0.115515
+H	 1.5425440785	 0.34186859	 1.4914803608	 0.113525
+19
+0 399	3.7982129	1.1979408	1.0953044	1.4008	75.52	-0.2382	0.07685	0.31505	1163.6525	0.156704	-422.520249	-422.512195	-422.511251	-422.553305	31.085
+C	 0.8139520635	 1.3972928662	-0.0254713133	-0.345541
+C	 1.4830014599	 0.0443252195	-0.2301771004	-0.322322
+C	 0.0204583352	 0.1485899515	 0.119371771	 0.45226
+C	-0.5660408832	-0.397614131	 1.4077726311	-0.378915
+C	-1.322124735	-1.6198111247	 0.8949449324	 0.395577
+C	-2.1910017871	-2.4701950802	 1.709526182	-0.252157
+O	-0.8889941242	-2.9159210107	 1.3101941501	-0.267598
+C	-1.4903276627	-1.3990036979	-0.6141210855	-0.154449
+O	-0.9312245881	-0.1195747202	-0.8891555996	-0.291586
+H	 1.0503037065	 1.9658995318	 0.8677283973	 0.114976
+H	 0.6245073707	 1.9965048913	-0.9089776198	 0.126379
+H	 1.7271005853	-0.2344887128	-1.2489727438	 0.121404
+H	 2.1787814135	-0.309392435	 0.5233625298	 0.113917
+H	 0.1775607371	-0.676072908	 2.1564718802	 0.122804
+H	-1.2607199012	 0.3271430631	 1.8480313524	 0.112195
+H	-2.3101087962	-2.2634134994	 2.7730650445	 0.114338
+H	-3.0271666039	-2.9945358721	 1.2471094825	 0.114122
+H	-0.9580050955	-2.1989632674	-1.1484911686	 0.11311
+H	-2.5337589848	-1.387194744	-0.9424306823	 0.111484
+19
+0 400	3.8979121	1.1318404	1.0266606	3.001	74.99	-0.25911	0.06156	0.32067	1201.0627	0.156798	-422.528611	-422.520555	-422.519611	-422.562508	30.911
+C	 2.6014600737	 3.9619518666	 0.3875748354	-0.253719
+O	 1.5150584975	 4.8333209185	 0.7225921577	-0.282034
+C	 1.2050331774	 3.5212653404	 0.2673374769	 0.468267
+C	 0.5004297887	 3.3627603578	-1.0766020873	-0.306846
+C	 0.0957592838	 1.8786980235	-1.0827936714	-0.290619
+C	-0.2897870049	 1.617951453	 0.3699477374	 0.436609
+C	-0.9178554274	 0.3805468265	 0.8355172989	-0.25669
+O	-1.6951651158	 1.5685671006	 0.6569280044	-0.271589
+C	 0.5563468454	 2.5391647696	 1.250667	-0.383699
+H	 3.1638890921	 4.23897785	-0.5038905627	 0.111814
+H	 3.2054463349	 3.6255755836	 1.2302129486	 0.110778
+H	-0.3947378513	 3.9960598675	-1.0807294832	 0.124879
+H	 1.1243139956	 3.6591900623	-1.9227561046	 0.103152
+H	-0.727268558	 1.6428395427	-1.7604203579	 0.116123
+H	 0.9550687205	 1.2534774289	-1.3563728755	 0.104924
+H	-1.1218420978	-0.4239997693	 0.1286113831	 0.109564
+H	-0.7833518476	 0.0600083871	 1.8685471595	 0.111241
+H	-0.0883473299	 3.0728066428	 1.9545679962	 0.1377
+H	 1.3025928029	 1.9879860479	 1.8304296845	 0.110147
+19
+0 401	3.1249315	1.6206706	1.4387207	1.1314	74.93	-0.23296	0.08679	0.31975	981.0021	0.158535	-422.521481	-422.514274	-422.513329	-422.552792	29.322
+C	 0.5477549815	 1.2542631453	-0.1684883208	-0.325848
+C	 1.5921108939	 0.1630667711	-0.0045898162	-0.339127
+C	 0.1380167695	-0.1693847135	 0.0899083739	 0.488592
+O	-0.3720668708	-0.9200385034	-0.9939202261	-0.316902
+C	-1.7618380491	-1.2332130796	-0.877654981	-0.086904
+C	-2.1309494299	-1.4557578827	 0.5856853982	 0.073969
+C	-0.9298357342	-2.0391234347	 1.3594054396	-0.252505
+C	-0.5293624626	-0.548275243	 1.3878196599	-0.009364
+O	-1.9407572018	-0.1814148718	 1.2684543424	-0.299679
+H	 0.4247125973	 1.9860349207	 0.6228530038	 0.116416
+H	 0.3804893943	 1.6300449365	-1.1711481734	 0.121906
+H	 2.105037478	-0.1745716491	-0.8980177066	 0.125427
+H	 2.190512802	 0.1432674523	 0.9002250059	 0.113603
+H	-2.3842520846	-0.4202766491	-1.2792253428	 0.104462
+H	-1.921187276	-2.1346863486	-1.4793790269	 0.105895
+H	-3.1358465054	-1.8644182894	 0.7200788393	 0.080007
+H	-1.2193986845	-2.4014084646	 2.3459287177	 0.109579
+H	-0.2703619049	-2.7441538741	 0.8518422828	 0.114404
+H	-0.0523260827	-0.1112265123	 2.2682070805	 0.076068
+19
+0 402	3.0571661	1.5914517	1.3826869	0.6421	73.71	-0.23971	0.07768	0.31739	996.4371	0.158887	-422.529857	-422.522577	-422.521633	-422.56143	29.146
+C	 0.5068915167	 0.7671750487	-0.6708271178	-0.25378
+O	 0.1223573321	-0.2074120933	 0.3064662142	-0.283554
+C	 1.5084118651	 0.1547680103	 0.2060735751	 0.441524
+C	 2.1329691598	 0.9328116011	 1.3624046564	-0.277342
+C	 3.1124151682	 0.064201352	 2.1986822163	-0.234233
+C	 3.6655352712	-1.0624831995	 1.3155802649	 0.09955
+C	 2.5449219301	-2.0190998878	 0.860813205	-0.243489
+C	 2.4074103235	-0.9773728654	-0.2646535609	 0.005121
+O	 3.7895439755	-0.5693214229	-0.0574438528	-0.301423
+H	 0.4240909694	 0.4471624262	-1.7092903017	 0.112983
+H	 0.1664773124	 1.7835661149	-0.4732468941	 0.112373
+H	 2.6954615638	 1.7665280886	 0.9328381748	 0.122173
+H	 1.3380270585	 1.3583186415	 1.9802968985	 0.111293
+H	 3.9259230939	 0.6908565053	 2.5766185204	 0.104467
+H	 2.6166200246	-0.3758478765	 3.0712569042	 0.106724
+H	 4.603768988	-1.4842876935	 1.6841214864	 0.078508
+H	 2.9325027202	-2.9705021949	 0.493612397	 0.10759
+H	 1.688862842	-2.1780953469	 1.5189839688	 0.114505
+H	 2.204136045	-1.3046714681	-1.2871534546	 0.077012
+19
+0 403	3.0837598	1.5711839	1.3739169	1.5872	74.24	-0.24393	0.08048	0.32441	997.43	0.158709	-422.521014	-422.513797	-422.512853	-422.552402	29.178
+C	 0.6734208348	 1.3647334422	-0.0537931086	-0.250332
+O	 0.0586584454	 0.0681371297	-0.0744517391	-0.291978
+C	 1.4810639209	 0.1431494462	 0.0359014588	 0.426648
+C	 2.2242757194	-0.4320317829	-1.1736546934	-0.153677
+O	 3.6001203988	-0.6985339286	-0.9124297156	-0.274395
+C	 3.8903522938	-0.9906700614	 0.448875024	 0.133382
+C	 2.7150142004	-1.7115053807	 1.1653309273	-0.268591
+C	 2.1138666168	-0.2843720406	 1.3439301861	-0.101329
+C	 3.5801841207	 0.2439331752	 1.3364331081	-0.238914
+H	 0.626391539	 1.917333682	-0.9915516881	 0.113654
+H	 0.4801301722	 1.9564640383	 0.8409426866	 0.112933
+H	 1.7073768689	-1.3593703928	-1.4599421366	 0.113888
+H	 2.186346036	 0.2437666812	-2.0324097719	 0.112348
+H	 4.8889558789	-1.4300273528	 0.4596707889	 0.078998
+H	 2.1466141913	-2.4637173101	 0.6138372036	 0.109966
+H	 3.0404889916	-2.1303472925	 2.1201635304	 0.106071
+H	 1.4607143852	-0.0729421561	 2.1925328947	 0.070205
+H	 3.7771745497	 1.2262206351	 0.8996418709	 0.100227
+H	 4.0441446862	 0.1705325485	 2.3232448238	 0.100897
+19
+0 404	3.3904663	1.4447957	1.2246935	2.3783	74.5	-0.25044	0.0838	0.33424	1058.9592	0.157961	-422.525883	-422.518332	-422.517388	-422.557707	30.074
+C	 0.7133977113	 1.3363128498	-0.0870244817	-0.326944
+C	 1.5717164069	 0.0835033895	-0.0841577406	-0.327004
+C	 0.0678168995	-0.001513009	 0.0499059103	 0.44163
+C	-0.5760384815	-0.4336275849	 1.3551725673	-0.296098
+C	-1.0164750086	-1.8883191631	 1.2926559989	 0.036416
+O	-2.2534793702	-2.1391920816	 0.6118444368	-0.246901
+C	-1.0476384935	-2.5798773771	-0.0052162669	 0.045463
+C	-0.6170984354	-1.8331302607	-1.2486519247	-0.127289
+O	-0.6444861533	-0.4266515604	-1.0831989271	-0.282633
+H	 0.7376436845	 1.9863804391	 0.7812047528	 0.11234
+H	 0.5796593581	 1.8448629905	-1.0347005376	 0.126434
+H	 2.0037463916	-0.2177749038	-1.0319874573	 0.118629
+H	 2.1906819724	-0.1215065688	 0.7829684174	 0.110371
+H	 0.1253623885	-0.2925159037	 2.1835889189	 0.100591
+H	-1.457597503	 0.1843993261	 1.5635864805	 0.123693
+H	-0.8900600313	-2.4775473962	 2.2003681125	 0.092337
+H	-0.9143743964	-3.6621852147	-0.0463280559	 0.089093
+H	 0.3932086223	-2.1770887945	-1.5265947782	 0.091004
+H	-1.293120272	-2.0542471064	-2.0809307052	 0.118869
+19
+0 405	3.3371401	1.4920008	1.2542959	0.4582	75.01	-0.22815	0.08103	0.30918	1047.9903	0.157521	-422.506852	-422.49918	-422.498236	-422.538794	30.534
+C	 0.7482508578	 1.3187165062	-0.0407749722	-0.333722
+C	 1.5431717966	 0.0255453854	 0.0098590992	-0.317701
+C	 0.0382593819	 0.0127241935	 0.0742366125	 0.430174
+C	-0.6805302168	-0.3848435618	 1.3354272502	-0.147876
+O	-0.8043789518	-1.8006210375	 1.4393010504	-0.26083
+C	-1.0817898562	-2.4633176427	 0.2408869584	 0.103249
+C	-2.3127066692	-2.1960284673	-0.5967074925	-0.346089
+C	-0.9408704646	-1.767857512	-1.0837971123	 0.040986
+O	-0.6701049637	-0.3880081419	-1.0750270116	-0.295777
+H	 0.7649222553	 1.9796705176	 0.8193608067	 0.11497
+H	 0.6743804221	 1.8201779742	-0.999069662	 0.127588
+H	 1.9981803852	-0.3104795857	-0.9146270802	 0.120221
+H	 2.1049904813	-0.2071264374	 0.9080896372	 0.117172
+H	-0.1318397671	-0.0639077617	 2.2248768636	 0.10968
+H	-1.6740546179	 0.0896484214	 1.3523129853	 0.099883
+H	-0.7433914247	-3.491896091	 0.3114099648	 0.105886
+H	-2.8068024782	-3.0394585737	-1.0666890522	 0.112457
+H	-2.9703558996	-1.3870544761	-0.2986819972	 0.125391
+H	-0.4795860104	-2.2860051494	-1.9210717681	 0.094337
+19
+0 406	3.3023279	1.424639	1.1978288	0.6621	74.13	-0.26102	0.09006	0.35107999999999995	1068.4251	0.15837	-422.538911	-422.531361	-422.530416	-422.570819	29.846
+C	 0.592051605	 1.2541521473	-0.071584808	-0.245096
+O	 0.0737346806	-0.0786161605	-0.1167658075	-0.281887
+C	 1.4990939462	 0.1047894157	 0.0070138886	 0.425059
+C	 2.2834013321	-0.3596135347	-1.2019731578	-0.286217
+C	 2.3348820163	-1.8959877952	-1.2282051417	-0.239686
+C	 2.8348106487	-2.4615982322	 0.0823727477	 0.064427
+O	 3.968195979	-1.8070482742	 0.6651875658	-0.25987
+C	 2.7022094735	-1.6934332359	 1.3314351454	 0.043519
+C	 2.0780904255	-0.3078465944	 1.3513330575	-0.301061
+H	 0.5141772592	 1.8198628417	-0.9996874627	 0.110332
+H	 0.3524643524	 1.8178123406	 0.8302168039	 0.108687
+H	 1.8150404148	 0.0168105447	-2.1154134663	 0.101264
+H	 3.3014541954	 0.0405339422	-1.1518117454	 0.11838
+H	 1.3297035654	-2.2934602051	-1.4144757854	 0.12215
+H	 2.9749289787	-2.2434169218	-2.047320488	 0.105721
+H	 2.868280847	-3.5499879949	 0.1474382536	 0.087372
+H	 2.6586266312	-2.2403448575	 2.273361534	 0.092698
+H	 1.2766456117	-0.2747193356	 2.0957137943	 0.115089
+H	 2.8479482573	 0.40853421	 1.6656509121	 0.119118
+19
+0 407	3.0801179	1.5115693	1.2927506	2.6261	74.59	-0.24192	0.07811	0.32003	1037.3286	0.158146	-422.519744	-422.512113	-422.511169	-422.551805	30.04
+C	 0.5535379404	 0.8044524392	-0.745958665	-0.242568
+O	 0.0686981881	-0.1707322815	 0.179440423	-0.270331
+C	 1.4704655933	 0.1461834007	 0.1890142729	 0.3923
+C	 2.3751370703	-0.9772987491	-0.2664007082	-0.129904
+O	 2.4900406175	-1.9749204774	 0.7354442976	-0.252993
+C	 2.8965875913	-1.514919253	 1.995969263	 0.101935
+C	 1.8199557111	-1.2411645149	 3.0123064177	-0.308695
+C	 2.6097280186	-0.0934958121	 2.4193182462	-0.05881
+C	 1.9925280886	 0.8695940306	 1.4167300791	-0.299319
+H	 0.5350807342	 0.5051590127	-1.7937494375	 0.111698
+H	 0.2413940202	 1.8311194286	-0.5551080129	 0.111161
+H	 1.9549207798	-1.4787238534	-1.1415559213	 0.112794
+H	 3.3637195603	-0.5678966151	-0.5338033286	 0.087229
+H	 3.8246135199	-1.9780294625	 2.3233457278	 0.090001
+H	 0.8026750612	-1.3791710311	 2.6620227538	 0.139963
+H	 1.9917771289	-1.5054079515	 4.0499411334	 0.108266
+H	 3.3490419552	 0.3578299563	 3.0743141983	 0.087739
+H	 1.1844489552	 1.4566231498	 1.8658802098	 0.11348
+H	 2.766298656	 1.5761486037	 1.0885306109	 0.106055
+19
+0 408	3.0401283	1.5803591	1.2701651	0.9016	74.77	-0.24743	0.0715	0.31893	1035.5673	0.158528	-422.525156	-422.517624	-422.516679	-422.557241	29.306
+C	 0.8165530244	 1.3595646556	-0.0039732064	-0.317179
+C	 1.5629254531	 0.048663486	-0.0589878992	-0.317353
+C	 0.0669494605	 0.0505134224	 0.0410580614	 0.363454
+C	-0.6881242598	-0.3966730745	 1.2846422566	-0.173597
+O	-2.072615524	-0.2521885963	 0.95316453	-0.266303
+C	-2.226179474	-0.5032964749	-0.4275516067	 0.06913
+C	-2.1285702233	-1.9761203977	-0.8818837643	-0.107794
+O	-0.7978446034	-1.7688444749	-1.4071930149	-0.298101
+C	-0.835537776	-0.3528767148	-1.0968095993	-0.011733
+H	 0.8697311082	 1.9429534846	 0.9093003059	 0.115196
+H	 0.7567039303	 1.9539136438	-0.91009788	 0.115081
+H	 2.0099928549	-0.2557837517	-0.9989664768	 0.124861
+H	 2.1265641031	-0.255440653	 0.8174520242	 0.116068
+H	-0.4560920143	-1.4450379505	 1.5260706897	 0.103072
+H	-0.489644357	 0.2149211443	 2.1690575284	 0.110364
+H	-3.0784718209	 0.0725910276	-0.7898876958	 0.092167
+H	-2.1542107063	-2.7158192665	-0.0732851778	 0.108447
+H	-2.8361476452	-2.2685250093	-1.6679204412	 0.100367
+H	-0.7283659002	 0.26026682	-1.9971251138	 0.073855
+19
+0 409	3.0633248	1.6094149	1.2946497	2.1067	75.06	-0.23748	0.07493	0.31240999999999997	1025.4091	0.158391	-422.52474	-422.517269	-422.516325	-422.556635	29.326
+C	 1.1919016932	 1.2548174234	-0.0243746931	-0.333077
+C	 1.3368083722	-0.2429588496	-0.2323412864	-0.341789
+C	-0.0019412392	 0.37729954	 0.0951260547	 0.451388
+O	-0.9775443001	 0.4615463982	-0.9201641293	-0.288659
+C	-1.9481132103	-0.5413045961	-0.6216857269	-0.110259
+C	-2.0707972086	-0.547259693	 0.9037525574	-0.101671
+C	-2.6946694744	 0.7105673827	 1.543221605	-0.075801
+O	-1.4043655726	 1.2077615712	 1.9543169528	-0.288381
+C	-0.726272224	 0.0678131652	 1.3819420209	 0.029489
+H	 1.5896458104	 1.7023238286	 0.8796648713	 0.125187
+H	 1.2413982272	 1.8867197116	-0.9038096116	 0.128524
+H	 1.4747940877	-0.5892284266	-1.2504237976	 0.120726
+H	 1.8469534589	-0.8278771676	 0.5262191367	 0.111363
+H	-2.8727503753	-0.2738531975	-1.1408790588	 0.110515
+H	-1.6130782494	-1.5262443446	-0.9822339647	 0.094206
+H	-2.3817491272	-1.5053045344	 1.3190278314	 0.083852
+H	-3.1960131061	 1.3932640918	 0.845891618	 0.106756
+H	-3.3506118814	 0.5253436044	 2.4024607949	 0.099802
+H	-0.1116307808	-0.4542828377	 2.1212617753	 0.077829
+19
+0 410	3.1967103	1.54022	1.2717628	2.1147	74.73	-0.24026	0.07871	0.31897	1034.0122	0.158284	-422.525202	-422.517735	-422.516791	-422.557076	29.376
+C	 0.6778439237	 1.2570083206	-0.2678796984	-0.343659
+C	 1.6182323267	 0.0987213117	 0.0295510055	-0.340946
+C	 0.1442050753	-0.1071318332	 0.0939318402	 0.468355
+O	-0.4314870971	-0.8923101775	-0.9272969827	-0.288949
+C	-1.8416185008	-0.8590437952	-0.7108171245	-0.121016
+C	-2.0199884877	-0.8742918011	 0.8056202305	 0.120361
+O	-1.8103699658	-2.1757486988	 1.3870228982	-0.291128
+C	-0.5440770434	-1.7762383172	 1.9536058991	-0.07923
+C	-0.6588337429	-0.3584636719	 1.3505755272	-0.180392
+H	 0.6025527431	 2.0622614827	 0.4556876522	 0.110327
+H	 0.5830454317	 1.5593498651	-1.3046971656	 0.122813
+H	 2.1372134828	-0.3493045379	-0.8101610924	 0.129409
+H	 2.1803245896	 0.1100552001	 0.9573164719	 0.115486
+H	-2.282583956	 0.0584011628	-1.1325399684	 0.088883
+H	-2.2829959834	-1.7322819737	-1.196558297	 0.120967
+H	-2.9544512487	-0.4163143056	 1.1452196	 0.077664
+H	-0.5601871411	-1.8202000142	 3.049428734	 0.097255
+H	 0.287484057	-2.3822396232	 1.575766476	 0.110201
+H	-0.655121083	 0.4719092863	 2.0553362444	 0.083599
+19
+0 411	3.0198644	1.5617032	1.2610338	1.5123	74.23	-0.24603	0.05958	0.30561	1038.3119	0.158404	-422.531696	-422.524144	-422.5232	-422.563792	29.322
+C	 0.503561167	 0.8324018226	-0.7566989365	-0.257761
+O	-0.0026019086	-0.0903477413	 0.2152924294	-0.283472
+C	 1.4140511342	 0.1416147829	 0.154058841	 0.443024
+C	 2.3015190586	-1.0394856882	-0.2025235038	-0.304311
+C	 2.7595999383	-1.565247813	 1.1783177228	-0.2333
+C	 2.884987085	-0.3113373149	 2.0638526036	-0.074956
+C	 4.0630033372	 0.6350147742	 1.7533623937	-0.080245
+O	 3.2002447275	 1.5665096208	 1.0625153054	-0.297408
+C	 2.0223549768	 0.7881172034	 1.3816273554	 0.048426
+H	 0.4318728028	 0.5036848011	-1.7928492195	 0.113479
+H	 0.2543783256	 1.8788817007	-0.5855949221	 0.118402
+H	 1.7678946474	-1.783349156	-0.7977505966	 0.112352
+H	 3.1587532816	-0.6865674149	-0.786723954	 0.117466
+H	 1.9894850381	-2.2248756473	 1.5921972415	 0.114493
+H	 3.6902657179	-2.1388568447	 1.1300703857	 0.100003
+H	 2.7123523521	-0.5088310168	 3.1216797227	 0.081558
+H	 4.5354854795	 1.0972215416	 2.6288180038	 0.102099
+H	 4.8465377764	 0.2334054782	 1.0977126991	 0.099266
+H	 1.2911536226	 1.3532467214	 1.9675969083	 0.080888
+19
+0 412	3.0649013	1.5315566	1.2444835	0.9753	74.06	-0.24976	0.07092	0.32068	1041.323	0.158353	-422.533513	-422.52601	-422.525066	-422.565496	29.316
+C	 0.6344752627	 0.9421182564	-0.7868475855	-0.264259
+O	-0.0153227175	-0.0110158402	 0.0603515035	-0.284697
+C	 1.3956270641	 0.204101681	 0.2232055222	 0.444447
+C	 1.850018912	 0.7836689179	 1.5576444409	-0.295645
+C	 2.3222110757	-0.4595019992	 2.3411742021	-0.232734
+C	 2.9429623453	-1.3588355015	 1.2730572184	 0.126814
+O	 4.2326185331	-0.875084908	 0.8180334772	-0.297023
+C	 3.7305544162	-0.6458947654	-0.5141266152	-0.086598
+C	 2.28752083	-0.9854496704	-0.087561563	-0.149242
+H	 0.707168241	 0.6610817281	-1.8374038445	 0.11041
+H	 0.3691282727	 1.9838664954	-0.6083658699	 0.11261
+H	 2.6899441136	 1.4691193959	 1.4004690989	 0.117304
+H	 1.0449773211	 1.3360848	 2.0462716636	 0.112266
+H	 3.0336965199	-0.2308163712	 3.1389549663	 0.11128
+H	 1.4641103665	-0.9765191459	 2.7867224939	 0.11029
+H	 2.9915962425	-2.4164683174	 1.552221523	 0.074068
+H	 3.9140586512	 0.3801381371	-0.8572027606	 0.100486
+H	 4.1642279608	-1.3464361453	-1.2391343104	 0.10103
+H	 1.7651747991	-1.7490846573	-0.6625510109	 0.089193
+19
+0 413	3.0252224	1.5496649	1.237265	2.4568	73.94	-0.24201	0.07015	0.31216	1047.9499	0.158019	-422.525146	-422.517537	-422.516593	-422.557485	29.54
+C	 0.6034105544	 0.9568196163	-0.788254072	-0.257303
+O	-0.0429552439	 0.0509683704	 0.1124011117	-0.276319
+C	 1.3795959903	 0.197511022	 0.1921575831	 0.421297
+C	 1.9469533395	 0.7859466255	 1.4765612176	-0.162987
+O	 2.4936282359	-0.3188577337	 2.1868866659	-0.262073
+C	 2.9692750663	-1.2665931655	 1.2443880135	 0.125678
+C	 4.3310107842	-0.941061167	 0.5606438217	-0.24828
+C	 3.6004750053	-0.7603313724	-0.8018491283	-0.239506
+C	 2.2281428236	-1.0215519349	-0.1088133114	-0.140487
+H	 0.6111090967	 0.6544628473	-1.8350210699	 0.114508
+H	 0.3958340502	 2.0133573518	-0.6179147316	 0.113197
+H	 2.7227129955	 1.5361120461	 1.251678549	 0.093361
+H	 1.1735822988	 1.2519441182	 2.0915412427	 0.125215
+H	 2.8955883029	-2.2526058239	 1.7065933888	 0.084937
+H	 4.803258851	-0.0402509437	 0.9597834252	 0.109659
+H	 5.0613600076	-1.75273142	 0.5912861074	 0.104161
+H	 3.7036871307	 0.2227137304	-1.269480763	 0.099117
+H	 3.8549961739	-1.5172031235	-1.5465459244	 0.107222
+H	 1.618569017	-1.8261176132	-0.5202944558	 0.0886
+19
+0 414	2.0819413	2.041349	1.2538966	1.4926	74.49	-0.25413	0.07077	0.3249	1040.7143	0.157214	-422.518573	-422.510546	-422.509601	-422.551464	30.793
+C	 0.8184450583	 1.3151733435	-0.064785361	-0.320521
+C	 1.613821261	 0.0346527016	-0.1199577778	-0.310658
+C	 0.1068898366	-0.0016915053	-0.0305523696	 0.291793
+C	-0.7467430337	-0.5345714639	-1.169643458	-0.180877
+O	-1.2702645318	-1.7650752897	-0.6798592641	-0.250773
+C	-1.5739181746	-1.5762955308	 0.6937289803	-0.153314
+C	-0.6084733864	-0.49930945	 1.2043986075	 0.320466
+C	-0.1028916232	-0.4319451994	 2.5760490163	-0.253819
+O	-1.1436537751	 0.4487944013	 2.1364155117	-0.27244
+H	 0.8247263872	 1.895263073	 0.8521348803	 0.127554
+H	 0.7398101024	 1.9117632398	-0.9679877116	 0.116956
+H	 2.0684902313	-0.2476857074	-1.0643179654	 0.115064
+H	 2.1873776761	-0.2546357202	 0.7541481673	 0.114012
+H	-1.5636239731	 0.1669786485	-1.4098913458	 0.095182
+H	-0.1872621253	-0.7452081059	-2.0849300504	 0.109963
+H	-2.6046551544	-1.2163323466	 0.8374370236	 0.108663
+H	-1.4646805495	-2.5395780148	 1.1999186749	 0.114185
+H	-0.4014345083	-1.189987725	 3.3001902269	 0.115953
+H	 0.8544496526	 0.0452126415	 2.7866229548	 0.112612
+19
+0 415	2.1804055	2.012334	1.2731805	1.3223	74.84	-0.23477	0.07452	0.30929	1032.7288	0.157062	-422.520721	-422.51278	-422.511836	-422.553582	30.949
+C	 0.9396163549	 1.3182224414	-0.0795580515	-0.3471
+C	 1.4307804728	-0.1142883268	-0.1847292949	-0.318899
+C	-0.0275703824	 0.1887347222	 0.0394789957	 0.388933
+O	-0.9300182276	 0.0148569361	-1.0286607342	-0.295696
+C	-1.7942010706	-1.0603395388	-0.6658128599	-0.106527
+C	-2.0669274823	-0.8418204586	 0.8280829452	-0.308907
+C	-0.7398736237	-0.2566596474	 1.3063722028	 0.341625
+C	-0.5295088065	 0.2907496446	 2.6478938026	-0.251579
+O	 0.0138384243	-0.9845335966	 2.2802361614	-0.27004
+H	 1.1874537236	 1.8925044661	 0.8066141616	 0.113912
+H	 0.8859893845	 1.8985663572	-0.9940670531	 0.126249
+H	 1.7068571323	-0.4755831914	-1.1686984621	 0.119948
+H	 1.9856236933	-0.5332280432	 0.6466640336	 0.129789
+H	-2.6829034844	-1.0004237778	-1.2974372468	 0.111047
+H	-1.3014859731	-2.0294938194	-0.8377336171	 0.100874
+H	-2.872898494	-0.113484862	 0.9618388356	 0.116175
+H	-2.3183720195	-1.7523244981	 1.3756558316	 0.120728
+H	 0.2021306252	 1.08069726	 2.811090873	 0.115982
+H	-1.3412065869	 0.2619758825	 3.3750121166	 0.113487
+19
+0 416	2.2634429	1.9597098	1.3026604	1.1051	74.95	-0.23218	0.08314	0.31532	1025.1156	0.156567	-422.517161	-422.50908	-422.508136	-422.550014	31.281
+C	 0.8730358388	 1.0892124055	-0.1968784619	-0.330623
+C	 1.5890247794	-0.2537017569	-0.1898954595	-0.346679
+C	 0.1177980122	-0.2003817975	 0.0002922617	 0.339106
+O	-0.7037635022	-0.6627178006	-1.0488675247	-0.273446
+C	-2.0090823357	-0.4212402069	-0.5811280442	 0.009645
+O	-2.0023852723	-0.6542005428	 0.8162887152	-0.309102
+C	-0.6550723282	-0.5571566415	 1.2450267119	 0.39443
+C	-0.3785575804	-0.0506056578	 2.6221390735	-0.337674
+C	-0.2013975189	-1.5274529521	 2.2929370608	-0.323233
+H	 1.0079910617	 1.7515213798	 0.6510927381	 0.117973
+H	 0.7545465734	 1.5825066103	-1.1549651455	 0.123157
+H	 1.9458010844	-0.6399172256	-1.1379096718	 0.131879
+H	 2.2101014807	-0.5052052153	 0.6637235865	 0.119274
+H	-2.3116546293	 0.620796929	-0.7842885531	 0.087239
+H	-2.6952566036	-1.1192515072	-1.0699103681	 0.117329
+H	 0.5080041495	 0.5527806828	 2.7918989414	 0.113365
+H	-1.2372285148	 0.2299273278	 3.2214048615	 0.127342
+H	 0.8046397483	-1.9287885162	 2.2334350229	 0.115548
+H	-0.948282633	-2.2151481248	 2.6734020155	 0.124469
+19
+0 417	2.1014555	2.0506814	1.2531736	1.8186	74.3	-0.24793	0.05461	0.30254000000000003	1040.7366	0.157282	-422.529228	-422.521302	-422.520357	-422.561861	30.763
+C	-0.2064740554	 1.3436803453	-2.2241880295	-0.250137
+O	 1.1933080026	 1.6419810285	-2.3129341887	-0.280822
+C	 0.7245080552	 0.8931321309	-1.1865828341	 0.379712
+C	 1.1834845528	-0.5533125028	-1.0072431755	-0.312316
+C	 1.8470939411	-0.5792401852	 0.387832248	-0.220767
+C	 1.0456772524	 0.459590148	 1.1963341208	-0.319755
+C	 0.7989518497	 1.5622538656	 0.1782199358	 0.398792
+C	 1.2817058135	 2.9407421895	 0.3265940292	-0.245735
+O	-0.1096293254	 2.61794925	 0.4735750341	-0.295087
+H	-0.8520660546	 2.194703793	-2.018260926	 0.129218
+H	-0.5776319434	 0.6293598291	-2.9587842868	 0.110971
+H	 0.3152276363	-1.2221745746	-1.0220543886	 0.110135
+H	 1.8500758951	-0.8563186898	-1.8178230836	 0.1186
+H	 1.8398118956	-1.5721156256	 0.8434124424	 0.103239
+H	 2.8927236178	-0.2605609571	 0.310690305	 0.110299
+H	 0.0815701095	 0.0389370826	 1.5089279833	 0.113566
+H	 1.55901637	 0.8143225143	 2.0929775526	 0.107117
+H	 1.7895992709	 3.2341529259	 1.2445168863	 0.111535
+H	 1.5338100661	 3.5087215824	-0.5652932246	 0.131436
+19
+0 418	2.8598729	1.6188614	1.2424241	2.3396	75.19	-0.25484	0.08423	0.33907	1046.7354	0.158351	-422.524295	-422.516742	-422.515798	-422.556173	29.846
+C	 1.5191221617	 0.0835298009	-0.0285115612	-0.323719
+C	 0.7163250272	 1.3571094354	-0.0419408449	-0.287378
+C	 0.0123154591	 0.0236581108	 0.0293489614	 0.35034
+C	-0.6400036324	-0.4196129684	 1.3273516695	-0.165715
+O	-2.0426831446	-0.217765192	 1.3076945289	-0.235666
+C	-2.6894002805	-1.0649537138	 0.3820419382	-0.117698
+C	-2.100674078	-0.9809937304	-1.0113706808	 0.035353
+O	-1.9118489196	 0.3276209233	-1.538077677	-0.24992
+C	-0.7448239316	-0.4343238325	-1.1835852584	-0.055665
+H	 2.006004623	-0.2296722739	-0.9467354714	 0.114261
+H	 2.0697952772	-0.1709468773	 0.871730675	 0.112747
+H	 0.7136567116	 1.97400067	 0.8506798425	 0.117559
+H	 0.6471933185	 1.9148585924	-0.9692792981	 0.124981
+H	-0.4198543053	-1.4865185304	 1.5094273217	 0.084973
+H	-0.2549612061	 0.1532698035	 2.1763665439	 0.106393
+H	-2.6428481911	-2.1185163435	 0.7126742739	 0.088562
+H	-3.7410241163	-0.7608845338	 0.3685378541	 0.120865
+H	-2.4797615307	-1.7201022746	-1.719458992	 0.090402
+H	-0.1516693221	-0.7463466658	-2.0437776053	 0.089325
+19
+0 419	2.8384071	1.647952	1.2565291	2.3716	75.29	-0.24559	0.08508	0.33067	1041.9177	0.158114	-422.525932	-422.518367	-422.517423	-422.557743	30.118
+C	 0.7090115269	 1.3201741099	-0.0536542531	-0.332913
+C	 1.5069920128	 0.0322376658	-0.0371456199	-0.325971
+C	 0.0162203376	-0.0226149484	 0.0648051308	 0.433994
+O	-0.6311641174	-0.5170238194	-1.073301501	-0.287804
+C	-2.0101350967	-0.1730859023	-1.1006566306	-0.093514
+C	-2.7898484572	-0.8913081528	 0.0077921457	-0.237154
+C	-2.0625734187	-0.7917080828	 1.3388157363	 0.030177
+O	-1.0075496457	-1.7395265158	 1.5470316875	-0.253182
+C	-0.6508981001	-0.3698062821	 1.357582068	-0.024922
+H	 0.7511451678	 1.9704801309	 0.8139269892	 0.112482
+H	 0.6082772027	 1.8299548244	-1.0047510169	 0.122163
+H	 1.9296702451	-0.303899352	-0.9767600901	 0.130097
+H	 2.0931200557	-0.2097363384	 0.8423614909	 0.119794
+H	-2.123737087	 0.9173496438	-0.9954597484	 0.09107
+H	-2.376388945	-0.4587945629	-2.0902275303	 0.108024
+H	-3.7908950266	-0.4538310085	 0.0920401122	 0.099666
+H	-2.9131529752	-1.950492601	-0.2414835912	 0.125568
+H	-2.6743296588	-0.6145801629	 2.2230909951	 0.092133
+H	-0.2446144302	 0.1257819543	 2.239811636	 0.090294
+19
+0 420	2.9118451	1.6396825	1.2628418	1.7576	75.1	-0.24243	0.08051	0.32294	1033.5163	0.158233	-422.521217	-422.513708	-422.512764	-422.552954	30.125
+C	 0.6910379017	 1.3469687015	-0.0810876587	-0.329164
+C	 1.5617371428	 0.1021547891	-0.0662210245	-0.331014
+C	 0.0569680254	-0.0004743659	 0.0238933713	 0.436212
+O	-0.616346238	-0.423302476	-1.1417397514	-0.278787
+C	-0.8885864778	-1.8016145235	-1.085905646	 0.001847
+O	-1.8808173189	-2.1018916038	-0.1367158166	-0.24735
+C	-1.568256312	-1.6355486283	 1.1501357467	 0.094211
+C	-2.0732298324	-0.2703287921	 1.5328639843	-0.320548
+C	-0.5935777404	-0.4869125998	 1.2846499545	-0.130464
+H	 0.680968367	 1.9873981971	 0.7939604405	 0.116271
+H	 0.5773075637	 1.8626710314	-1.0278941178	 0.126477
+H	 2.0180226503	-0.1931654778	-1.0040655814	 0.120129
+H	 2.1539480606	-0.1063995736	 0.8185981906	 0.111963
+H	-1.2902184858	-2.0939271894	-2.0576442112	 0.11619
+H	 0.0398067119	-2.3551200911	-0.8654533311	 0.082291
+H	-1.562819632	-2.4294128104	 1.8922837329	 0.096786
+H	-2.6344931208	 0.2529896587	 0.7670226505	 0.132347
+H	-2.4021069743	-0.0990490041	 2.5518230933	 0.109938
+H	 0.054917439	-0.4955404622	 2.1546511742	 0.092664
+19
+0 421	2.7695957	1.6052606	1.23144	0.7287	74.59	-0.2609	0.07628	0.33718000000000004	1054.3623	0.15843	-422.536509	-422.528914	-422.52797	-422.568449	29.918
+C	 0.5571261568	 0.8107963617	-0.7348398489	-0.24836
+O	 0.0558236096	-0.1269382002	 0.2229832776	-0.282794
+C	 1.4680622352	 0.1522951316	 0.2090626375	 0.425365
+C	 2.0175173295	 0.8730127086	 1.4226999512	-0.29012
+C	 2.3300516329	-0.1411153148	 2.5329988168	-0.211968
+C	 3.4062181711	-1.1564846779	 2.1067826782	-0.22813
+C	 3.2350891113	-1.6546536931	 0.6809030708	 0.042028
+O	 3.6943386587	-0.7746148697	-0.3575366699	-0.261085
+C	 2.2892082685	-1.0145543457	-0.252234389	-0.014613
+H	 0.5196243574	 0.4841073224	-1.773566881	 0.114524
+H	 0.2727455289	 1.8486760036	-0.5651732128	 0.114097
+H	 2.9255188207	 1.4159483508	 1.1361394897	 0.116067
+H	 1.2789584996	 1.6050416169	 1.7619689603	 0.105489
+H	 2.6491986793	 0.3765614109	 3.4430421376	 0.097188
+H	 1.4041343202	-0.6739596127	 2.7807181077	 0.115063
+H	 4.404679362	-0.7084990555	 2.1821029664	 0.116967
+H	 3.397302516	-2.0141452229	 2.7879446482	 0.103164
+H	 3.4921562771	-2.6984218074	 0.5002269046	 0.095392
+H	 1.8493937852	-1.5976221667	-1.0615296649	 0.091725
+19
+0 422	2.8158509	1.5997215	1.2155776	1.3734	74.95	-0.24418	0.08279	0.32697	1053.3262	0.15813	-422.522508	-422.514917	-422.513972	-422.554444	30.13
+C	 0.4101439479	 0.7816409019	-0.6883563287	-0.24137
+O	 0.0937674191	-0.1726530509	 0.3300844262	-0.284097
+C	 1.4737294646	 0.2058846425	 0.1428409574	 0.408475
+C	 2.0685745217	 0.9812802168	 1.3037719137	-0.290344
+C	 2.7577292213	 0.0024451574	 2.2560733239	-0.076851
+O	 3.849944319	-0.6398933105	 1.6082438659	-0.26379
+C	 3.5069112079	-1.3612654961	 0.4581685502	 0.096568
+C	 3.7495675979	-0.6923902186	-0.8668044567	-0.328005
+C	 2.3298921887	-0.9110174995	-0.3763778913	-0.106092
+H	 0.278131358	 0.4341256669	-1.7127228272	 0.110047
+H	 0.066312027	 1.7988068477	-0.4995502652	 0.10818
+H	 2.8082151352	 1.7088989813	 0.9494048847	 0.108966
+H	 1.2680073067	 1.5267419426	 1.812258813	 0.111815
+H	 3.1883254893	 0.5197184245	 3.1173056772	 0.108762
+H	 2.0313058585	-0.7371794207	 2.6251902719	 0.104868
+H	 3.6970708431	-2.4278609666	 0.5539847718	 0.09612
+H	 4.1599799938	 0.3103878395	-0.8232315192	 0.121471
+H	 4.0883749888	-1.2873068805	-1.7077065697	 0.114605
+H	 1.7565637915	-1.6846158377	-0.8763548379	 0.100671
+19
+0 423	2.8744536	1.6092653	1.2401926	2.6323	74.93	-0.24726	0.07254	0.3198	1044.2446	0.158532	-422.523698	-422.516181	-422.515237	-422.555581	29.805
+C	 0.6934104947	 0.9262033603	-0.759209691	-0.242458
+O	-0.0162079558	 0.0332881379	 0.0974134862	-0.27359
+C	 1.4135168156	 0.13771724	 0.2482300029	 0.410595
+C	 1.8908213786	 0.8333161876	 1.5121029474	-0.153831
+O	 2.358209001	-0.0802739986	 2.4882103185	-0.241396
+C	 3.5333937734	-0.7460998645	 2.0570833601	-0.107539
+C	 3.2937768485	-1.5566424449	 0.7984750766	-0.040997
+C	 2.0231002469	-2.3463571738	 0.6784093901	-0.28055
+C	 2.1995790995	-1.0824263394	-0.1386737384	-0.119996
+H	 0.7471483435	 0.6333070023	-1.8078783399	 0.110925
+H	 0.5080647457	 1.9881510404	-0.5915733225	 0.108582
+H	 2.69324773	 1.5471832953	 1.2565961876	 0.089334
+H	 1.0593977419	 1.3835606172	 1.9597125172	 0.121216
+H	 4.3388928482	-0.0111481817	 1.8838281369	 0.087574
+H	 3.8379700273	-1.3909300241	 2.8877934987	 0.112256
+H	 4.192617776	-1.963759556	 0.3447045145	 0.086376
+H	 2.0459531947	-3.2915068054	 0.1483190383	 0.111215
+H	 1.3245617887	-2.301142269	 1.5061105551	 0.136492
+H	 2.3589467816	-1.2164886335	-1.2035476882	 0.085792
+19
+0 424	2.8425337	1.4577319	1.1020456	1.7299	76.96	-0.24901	0.0167	0.26571	1124.6496	0.157777	-422.529231	-422.521158	-422.520214	-422.562133	30.772
+C	 0.527087393	 0.7188275576	-0.8706924711	-0.216821
+O	-0.0188834891	-0.1206402388	 0.1539781832	-0.285209
+C	 1.3791079618	 0.1975862871	 0.2047852717	 0.417509
+C	 2.3040128687	-0.9564822331	-0.1317917084	-0.169636
+O	 3.4383677804	-0.5038301182	-0.8446128922	-0.234751
+C	 4.5189584729	-0.0636528383	-0.0538643051	-0.127453
+C	 4.2968215658	 1.1180831827	 0.8572977603	-0.064484
+C	 3.1854447583	 1.5839456519	 1.4275325476	-0.059183
+C	 1.7660826018	 1.079042632	 1.3729233639	-0.337895
+H	 0.5770259839	 0.2745707608	-1.8636443771	 0.118756
+H	 0.2028238264	 1.7580215154	-0.8428961688	 0.11214
+H	 2.6014777741	-1.502161593	 0.7780226851	 0.090987
+H	 1.7686007973	-1.6523762739	-0.7846090767	 0.116115
+H	 4.9071413064	-0.9022452835	 0.555880036	 0.100748
+H	 5.3104611917	 0.1876342856	-0.7688001838	 0.117801
+H	 5.2280187816	 1.6254770645	 1.1073703932	 0.09024
+H	 3.3056208499	 2.4400655561	 2.089007433	 0.092869
+H	 1.5733880118	 0.5107747104	 2.2974958575	 0.124802
+H	 1.0754219832	 1.9286918846	 1.4132945517	 0.113465
+19
+0 425	2.9551794	1.5572793	1.2097437	0.5987	78.48	-0.23025	0.01401	0.24426	1069.102	0.157857	-422.533172	-422.525309	-422.524365	-422.565314	30.883
+C	 0.6980286817	 1.3656829574	-0.0796625493	-0.316759
+C	 1.6063150313	 0.1624036514	-0.1011358052	-0.319369
+C	 0.1086556779	-0.0133281035	 0.0673874834	 0.402846
+O	-0.6333402685	-0.4358244976	-1.0521786099	-0.28875
+C	-0.4425122251	-1.7717295358	-1.4463611509	-0.018077
+O	-0.5168585102	-2.6895250998	-0.3968576119	-0.23115
+C	-1.6030551864	-2.4834798381	 0.5002382346	-0.14208
+C	-1.2727838025	-1.4621852573	 1.5622065096	-0.094914
+C	-0.4678779749	-0.416963735	 1.3759592374	-0.07269
+H	 0.7049148973	 2.0126226784	 0.7908117212	 0.114971
+H	 0.5051790546	 1.8648785433	-1.0216982402	 0.126405
+H	 2.0277191168	-0.1288637946	-1.0568612575	 0.122755
+H	 2.2427758943	-0.0357065361	 0.7536343915	 0.121109
+H	-1.2258784232	-1.9420883531	-2.2003399634	 0.094881
+H	 0.5493686914	-1.9311858423	-1.8916205876	 0.096756
+H	-2.5178773412	-2.2124844387	-0.0506936751	 0.109869
+H	-1.7863325451	-3.454230711	 0.9726704162	 0.113966
+H	-1.6966004835	-1.6392457354	 2.5472702	 0.091001
+H	-0.2269498045	 0.2297277077	 2.216293137	 0.08923
+19
+0 426	2.8611551	1.4678239	1.1444427	1.1839	77.6	-0.24282	0.00611	0.24893	1103.5483	0.1578	-422.531442	-422.523446	-422.522502	-422.563978	30.831
+C	 0.5939672475	 0.8286357259	-0.8655798651	-0.223006
+O	 0.0302146312	-0.0950565363	 0.0598755535	-0.288428
+C	 1.4414859118	 0.1904888056	 0.1605874639	 0.407438
+C	 2.3451537073	-0.9737288004	-0.2045718211	-0.335412
+C	 3.7029997062	-0.5389260026	-0.7794103838	-0.069581
+O	 4.2346940875	 0.6394074287	-0.2053531943	-0.234722
+C	 4.315339373	 0.6591048939	 1.2071130572	-0.15066
+C	 3.0344650919	 1.0926296064	 1.8813003151	-0.074656
+C	 1.803296086	 0.9398203066	 1.3952521501	-0.102027
+H	 0.6544280581	 0.4854199798	-1.8986490979	 0.110717
+H	 0.2886574844	 1.8667129353	-0.7414216513	 0.114258
+H	 2.4915052543	-1.5810426798	 0.6959931681	 0.113605
+H	 1.8335695325	-1.6099177623	-0.9338297279	 0.115071
+H	 4.4194365523	-1.3719689239	-0.6871069129	 0.090157
+H	 3.6038182681	-0.3054910008	-1.8442922404	 0.110788
+H	 4.6603862143	-0.3145451207	 1.597265672	 0.101618
+H	 5.101274736	 1.3833670705	 1.4511201029	 0.11807
+H	 3.1627053079	 1.6163803625	 2.8258975	 0.094433
+H	 0.9514408295	 1.3476397117	 1.9329134518	 0.102336
+19
+0 427	2.7957423	1.4958572	1.1425854	2.0285	77.51	-0.24365	0.00415	0.2478	1102.554	0.157951	-422.529878	-422.521847	-422.520902	-422.562485	30.86
+C	 0.826144575	 0.0182639108	-1.0783703152	-0.221489
+O	 0.0464394387	-0.0166966578	 0.1129415742	-0.28376
+C	 1.4419388284	 0.3300106515	 0.2268008611	 0.344051
+C	 2.2666620936	-0.7383939612	 0.9297266776	-0.147753
+O	 3.6057976021	-0.8610242483	 0.4879914851	-0.256455
+C	 4.3324224223	 0.3376757583	 0.2741035297	-0.05488
+C	 4.1130193719	 1.4550417394	 1.3037731807	-0.293538
+C	 2.8190628531	 2.2166727692	 1.1392256388	-0.072972
+C	 1.6828488987	 1.7404348299	 0.6280281073	-0.098959
+H	 1.0256047455	-0.9468542231	-1.5431872208	 0.121146
+H	 0.5923200284	 0.8291830508	-1.7667215351	 0.114587
+H	 2.2315493218	-0.5416084135	 2.0121562502	 0.098315
+H	 1.798172556	-1.7100513289	 0.752824604	 0.118387
+H	 5.3841024502	 0.0339544938	 0.2835473391	 0.107443
+H	 4.1127423431	 0.7405506758	-0.7270822234	 0.095462
+H	 4.2094723928	 1.0473490488	 2.3200919191	 0.124955
+H	 4.9442078995	 2.1626397068	 1.1954022491	 0.110043
+H	 2.844190977	 3.262391029	 1.4362831436	 0.09522
+H	 0.822454842	 2.3935321187	 0.5073486149	 0.100198
+19
+0 428	3.2254884	1.1874617	1.0225667	2.0046	74.87	-0.26343	0.08122	0.34465	1205.2432	0.156037	-422.492077	-422.483484	-422.48254	-422.525804	31.834
+C	 4.4084312969	-1.1679394306	-0.1910339262	-0.17881
+O	 4.0958234241	-2.1195524175	 0.8305796459	-0.235298
+C	 3.0372629114	-1.310816857	 0.3218966096	-0.004896
+C	 1.9514421596	-2.0030944213	-0.4523881773	 0.304945
+C	 1.2853059314	-3.2080622269	 0.1643689432	-0.313939
+C	 2.2203988312	-3.3796184995	-1.0081707005	-0.31395
+C	 1.1182836087	-1.0530698639	-1.265453521	-0.004905
+C	-0.1428366738	-0.4812179577	-0.7692884039	-0.178808
+O	-0.1380277561	-1.5289053081	-1.7436098263	-0.235296
+H	 5.0254040366	-0.3295215323	 0.1278837128	 0.117895
+H	 4.6595016477	-1.5966971595	-1.1596911616	 0.117608
+H	 2.6851578495	-0.5550549816	 1.0275123609	 0.092805
+H	 1.6379161399	-3.5270915812	 1.1385932443	 0.12263
+H	 0.225197237	-3.336581582	-0.0200002579	 0.129542
+H	 3.1941989554	-3.8120528566	-0.8105364006	 0.129538
+H	 1.7813746628	-3.6225720204	-1.9691385229	 0.122627
+H	 1.6761079598	-0.4714946902	-2.0027790134	 0.092809
+H	-0.5041474528	-0.7694914712	 0.2163691861	 0.117608
+H	-0.4816345593	 0.4881858376	-1.1309252412	 0.117895
+19
+0 429	3.2020965	1.2585554	1.0648691	2.0772	74.48	-0.26036	0.07425	0.33460999999999996	1177.691	0.156021	-422.493708	-422.48516	-422.484216	-422.527343	31.856
+C	 0.7522365247	-0.9469148542	 0.58135507	-0.261082
+C	 1.8039470866	-0.4390529859	-0.3715078115	-0.274385
+C	 0.4345312739	 0.18330811	-0.3706473773	-0.085469
+C	-0.5098010603	-0.0550121786	-1.514302274	 0.358391
+C	-0.0825422443	 0.1265315875	-2.911571012	-0.216908
+O	-0.2213086088	-1.1833806153	-2.3406489394	-0.274405
+C	-1.9676346578	 0.1199003887	-1.1698433869	 0.013019
+C	-2.9080517142	-1.0079000194	-1.2123872507	-0.172394
+O	-2.905223091	-0.0043476781	-2.2327825276	-0.237245
+H	 0.3173118172	-1.9159219875	 0.3631845119	 0.124322
+H	 0.847611518	-0.7194263864	 1.6369979458	 0.11218
+H	 2.6279137244	 0.1430947515	 0.0250806881	 0.110482
+H	 2.0525839607	-1.0774269564	-1.2113907487	 0.130857
+H	 0.3454274224	 1.1736870236	 0.0682357607	 0.089052
+H	-0.8279259676	 0.3723567348	-3.6631304097	 0.134066
+H	 0.941071493	 0.43338339	-3.1182476712	 0.113065
+H	-2.1705755319	 0.9401938266	-0.4794243734	 0.090416
+H	-2.5388518836	-1.9801388497	-1.5284286146	 0.132404
+H	-3.7807479314	-1.0098544012	-0.5613308494	 0.113635
+19
+0 430	3.7863117	1.2829695	1.198195	1.2976	74.7	-0.24122	0.08291	0.32413	1092.6238	0.158094	-422.513922	-422.50642	-422.505476	-422.546243	29.37
+C	 0.2098742215	 0.4385665321	-0.0313414309	-0.17444
+O	 1.2999898168	 0.8803380423	 0.7818088773	-0.238912
+C	 1.5882097581	 0.3983466822	-0.5324600146	-0.055981
+C	 2.3767998409	-0.8669435192	-0.5945486861	 0.481893
+C	 2.1273395417	-2.126405245	 0.2747010866	-0.280481
+C	 3.5328976679	-2.4923938263	-0.2996665926	-0.08821
+C	 3.8699385322	-0.9744220861	-0.1780288447	-0.27656
+C	 3.200042849	-2.57198147	-1.794370264	-0.074293
+O	 2.3783261795	-1.3887683528	-1.939006448	-0.328808
+H	-0.270171051	-0.4827878952	 0.2927952538	 0.116018
+H	-0.4635343227	 1.2213872021	-0.3764621445	 0.118255
+H	 1.9036050642	 1.164877883	-1.2413107838	 0.0983
+H	 2.1423451207	-1.9173650305	 1.3445495749	 0.116816
+H	 1.2776817633	-2.7578205353	 0.0024143296	 0.096488
+H	 4.1593846288	-3.2742790379	 0.1267089405	 0.075975
+H	 4.0487548348	-0.6559598574	 0.8494068624	 0.115334
+H	 4.608518983	-0.5481350566	-0.8616112921	 0.097373
+H	 4.0799051451	-2.5003375605	-2.4443796752	 0.100824
+H	 2.6234690761	-3.4629450091	-2.0693056887	 0.100412
+19
+0 431	3.8367321	1.2402755	1.1643636	1.076	74.36	-0.24156	0.08297	0.32453	1104.2575	0.158207	-422.512251	-422.50476	-422.503816	-422.544509	29.32
+C	 0.7130556882	 0.1417796264	-0.9287236844	-0.179858
+O	 0.0688993999	 0.1929915788	 0.3449930703	-0.236082
+C	 1.4943507212	 0.318136098	 0.3039023996	-0.070713
+C	 2.2799309661	-0.7879318234	 0.923980775	 0.306654
+C	 1.910106802	-2.3017686413	 0.7839108606	-0.281618
+C	 2.8739410911	-2.3928939325	 1.9902716192	 0.094669
+C	 2.2912914148	-1.0456966162	 2.4724116614	-0.274285
+O	 4.1459871123	-2.0220843415	 1.4286153831	-0.27969
+C	 3.7918497387	-0.8631964247	 0.6440405893	-0.115595
+H	 0.6980521706	-0.8302791478	-1.4189333621	 0.115719
+H	 0.532559104	 0.9952134307	-1.5808309303	 0.116884
+H	 1.8507509609	 1.3249075469	 0.5334667533	 0.090508
+H	 0.8661709884	-2.4938205902	 1.0335702854	 0.117973
+H	 2.2072838053	-2.8265296414	-0.1275933992	 0.098098
+H	 2.9917788809	-3.2740064328	 2.61788851	 0.082476
+H	 1.2829227936	-1.1193509778	 2.8815299938	 0.115576
+H	 2.9318431107	-0.4198321573	 3.0986232453	 0.099193
+H	 4.3441717131	 0.0170159946	 0.9955171942	 0.099581
+H	 4.0278763581	-1.0334936185	-0.4133825344	 0.10051
+19
+0 432	3.8299345	1.285732	1.2153884	2.2043	74.45	-0.24854	0.0773	0.32584	1088.5627	0.158263	-422.518155	-422.510658	-422.509714	-422.550268	29.413
+C	 0.4342750108	 0.1529849323	-0.976427204	-0.171979
+O	 0.0459989543	-0.0906122386	 0.3770440217	-0.235786
+C	 1.3943158955	 0.3045824234	 0.1254970997	-0.071405
+C	 1.8061948597	 1.6518310579	 0.6180645942	 0.435202
+C	 1.5151270867	 2.1638809806	 2.0528645738	-0.2729
+C	 1.5803957652	 3.4839836229	 1.2619691839	 0.072251
+C	 3.0660429106	 3.6052013278	 0.8602153369	-0.217185
+C	 3.2520927299	 2.1401272832	 0.3491814346	-0.267591
+O	 1.0174065281	 2.7767180005	 0.1104858856	-0.329586
+H	 0.4852524104	-0.7270364725	-1.6159600806	 0.112526
+H	 0.0100356997	 1.0481196829	-1.4238240402	 0.137205
+H	 2.1309174463	-0.4837485494	 0.2896358353	 0.092178
+H	 0.4999933519	 1.9104936848	 2.3562940236	 0.126871
+H	 2.2428194624	 1.9761596522	 2.8466776703	 0.09115
+H	 1.0297713799	 4.3810320612	 1.5430987789	 0.08079
+H	 3.2068468098	 4.3464834902	 0.0712528704	 0.109391
+H	 3.7164949576	 3.8603892258	 1.701105458	 0.099986
+H	 3.4954629585	 2.0902392379	-0.7144056611	 0.108935
+H	 4.0021025728	 1.5732999868	 0.9075211989	 0.099946
+19
+0 433	3.4405328	1.3020088	1.1674801	0.9789	74.91	-0.22323	0.08341	0.30664	1119.4377	0.157425	-422.512672	-422.504726	-422.503782	-422.545355	30.567
+C	-0.3988102934	 1.3410652244	-0.5374764044	-0.266603
+C	-1.2245576094	 0.147128293	-0.9503783622	-0.268276
+C	-0.1289906423	-0.0124298442	 0.073379242	-0.080137
+C	-0.4538642467	-0.277636206	 1.5020914583	 0.411851
+C	 0.6011847185	-0.5482670492	 2.5659397416	-0.402483
+C	-0.4385937169	-1.596475786	 2.2066543552	 0.029583
+O	-1.607984854	-1.6699522857	 2.9848522442	-0.255959
+C	-2.1179195423	-0.3521293307	 3.0585669237	 0.007368
+O	-1.631499263	 0.3702212307	 1.9425012334	-0.298511
+H	 0.3273764971	 1.739278247	-1.2374166837	 0.108375
+H	-0.8778751599	 2.0818654551	 0.0917349295	 0.127674
+H	-2.2454013605	 0.1034026464	-0.5905151631	 0.124798
+H	-1.0680938515	-0.2782200612	-1.9354112947	 0.107661
+H	 0.7752332012	-0.517542624	-0.2525532859	 0.083515
+H	 1.6109427164	-0.7293589478	 2.2115097682	 0.118503
+H	 0.5456632271	-0.0422439702	 3.5235501405	 0.123391
+H	-0.1768441496	-2.5468880256	 1.7590324683	 0.112891
+H	-3.211952233	-0.3824987827	 3.0244430611	 0.121087
+H	-1.7889848477	 0.1314680866	 3.992886558	 0.095271
+19
+0 434	4.0854274	1.2048808	1.0695954	2.3381	74.98	-0.25241	0.0839	0.33631	1165.8234	0.157652	-422.525169	-422.517241	-422.516297	-422.557813	30.248
+C	-0.1112453879	 0.8857393516	-0.8868273659	-0.263487
+C	 0.5592421882	 1.8316429863	 0.0750512927	-0.269722
+C	 0.5293602828	 0.3568124323	 0.3773494768	-0.117948
+C	-0.335603323	-0.1686199217	 1.4717481083	 0.394643
+C	-0.6880376539	-1.6452432303	 1.5457084856	-0.136881
+O	-1.2298771003	-1.8621808496	 2.8426970602	-0.257785
+C	-0.7712409261	-0.848900297	 3.7317950086	-0.100822
+C	-0.3994894243	 0.3225989634	 2.8543855016	-0.052196
+O	-1.4283681974	 0.6543048324	 1.9098184948	-0.289929
+H	-1.1947221706	 0.9038904867	-0.9239565516	 0.127925
+H	 0.372695912	 0.6720643457	-1.8330129586	 0.113122
+H	 1.5082320369	 2.2735406451	-0.2063308263	 0.110665
+H	-0.0870033172	 2.4655757414	 0.6705225224	 0.130675
+H	 1.4590354337	-0.1919651838	 0.2544681724	 0.088675
+H	-1.4427627447	-1.9449476988	 0.8113074561	 0.11841
+H	 0.2210153546	-2.2466598963	 1.3784829157	 0.090445
+H	-1.580877708	-0.6320777676	 4.4365116954	 0.119268
+H	 0.113875768	-1.1741535004	 4.3036251906	 0.093597
+H	 0.200982637	 1.1476002606	 3.2268306911	 0.101344
+19
+0 435	3.8823758	1.2268493	1.0969303	1.2319	74.85	-0.23089	0.08724	0.31813	1150.192	0.157717	-422.519868	-422.511971	-422.511027	-422.552473	30.256
+C	 0.1666784782	 0.4575990163	-0.0377701405	-0.173243
+O	 1.2743285338	 0.7272890835	 0.8284708379	-0.236338
+C	 1.5500326283	 0.2937600067	-0.5020033111	-0.014404
+C	 2.1909840776	-1.0471911171	-0.6332026663	 0.451399
+C	 2.1079017694	-2.0918286401	 0.4476809513	-0.370888
+C	 3.4472089448	-1.4684205057	 0.0800370854	-0.114779
+C	 4.2915526126	-2.1708689373	-0.9690104434	-0.242388
+C	 3.2787822675	-2.4422240403	-2.1050446975	-0.097973
+O	 2.2391762168	-1.4698457972	-1.9747478163	-0.307552
+H	-0.4147512968	-0.4268061706	 0.2153628463	 0.117876
+H	-0.4064994834	 1.3309434552	-0.3437220094	 0.117986
+H	 1.9686405879	 1.0584066337	-1.1576210385	 0.096635
+H	 1.6802456679	-1.7717314147	 1.391009582	 0.131281
+H	 1.9002908056	-3.1207357802	 0.1725585468	 0.111349
+H	 3.9279416879	-0.8187986364	 0.8016833462	 0.102276
+H	 5.0888687145	-1.4993557862	-1.3044774687	 0.109617
+H	 4.7590136062	-3.096560461	-0.6194919287	 0.106704
+H	 3.7062148532	-2.3443898333	-3.1066437775	 0.111367
+H	 2.857091768	-3.4526313452	-2.0162919877	 0.101074
+19
+0 436	3.487049	1.2456042	1.1645227	1.1237	74.3	-0.25315	0.0919	0.34504999999999997	1118.3851	0.158039	-422.522233	-422.514377	-422.513433	-422.554852	29.944
+C	 0.7146764328	 0.2253241769	-0.9832877402	-0.178917
+O	 0.0308921627	 0.0818689944	 0.2643209899	-0.232951
+C	 1.4309014903	 0.3685866923	 0.293219093	-0.041516
+C	 1.8319711462	 1.6964447672	 0.8427199796	 0.313422
+C	 1.3034322243	 2.1644651766	 2.1775542026	-0.33092
+C	 0.8948221122	 2.8795554269	 0.9134462039	-0.106831
+C	 1.7333443012	 4.0847754244	 0.5338212746	-0.095404
+O	 3.0894125954	 3.6800352416	 0.7170799154	-0.256029
+C	 3.1790618437	 2.2865245854	 0.4431346332	-0.14472
+H	 0.8188952249	-0.6891641451	-1.5650378985	 0.117826
+H	 0.4583946958	 1.1171054122	-1.5527978374	 0.114351
+H	 2.0403054004	-0.4764268645	 0.6210780574	 0.093322
+H	 0.5499653888	 1.540992062	 2.6454300416	 0.125286
+H	 1.98621275	 2.6643151907	 2.8576208345	 0.120809
+H	-0.1286598856	 2.8013070819	 0.568139593	 0.104198
+H	 1.5400975497	 4.3701118405	-0.5134271616	 0.090262
+H	 1.5731244822	 4.9650336278	 1.1651576459	 0.111157
+H	 3.3642299072	 2.0974218324	-0.6279531586	 0.088264
+H	 4.030331088	 1.8989688765	 1.0132754616	 0.108391
+19
+0 437	3.4479652	1.255228	1.1744502	2.3088	74.05	-0.23175	0.08803	0.31978	1117.7814	0.157811	-422.518005	-422.510111	-422.509167	-422.550637	30.191
+C	 0.7989336989	-0.7493612017	 0.2445014894	-0.181049
+O	-0.0215364014	 0.4102406061	 0.0750369471	-0.236627
+C	 1.3984428236	 0.5762708369	 0.0316443752	-0.03531
+C	 2.0074189658	 1.360566942	 1.1451973265	 0.295632
+C	 1.4277514444	 2.7206994853	 1.5139573569	-0.377773
+C	 1.329864154	 1.5595857456	 2.4724104683	 0.084183
+O	 2.255853997	 1.4535234629	 3.5200455192	-0.259535
+C	 3.562141178	 1.5994796158	 2.9651780116	-0.09119
+C	 3.4761224898	 1.141094362	 1.4901024947	-0.31043
+H	 0.7961669916	-1.1765352588	 1.2458670182	 0.118499
+H	 0.7631459687	-1.46761301	-0.5731293867	 0.116361
+H	 1.7790405568	 0.8006596545	-0.9672140496	 0.089895
+H	 2.095571222	 3.5468275923	 1.7339882584	 0.11323
+H	 0.5082331654	 2.9994124202	 1.0106081746	 0.129158
+H	 0.3650149464	 1.1362059618	 2.7216163633	 0.116231
+H	 3.8839178087	 2.648335029	 3.0249395833	 0.101562
+H	 4.2527742697	 1.0028852611	 3.5671463725	 0.112299
+H	 4.1725692104	 1.6971033936	 0.8548779112	 0.106511
+H	 3.7117197204	 0.0751893215	 1.3945401759	 0.108353
+19
+0 438	4.0227418	1.2017063	1.089839	2.171	74.71	-0.25499	0.0772	0.33219	1160.8996	0.157778	-422.532616	-422.524742	-422.523798	-422.56518	30.156
+C	 0.4578303334	-0.4346262931	-0.7218722878	-0.173784
+O	 0.0372275472	 0.3261790912	 0.4132633863	-0.233092
+C	 1.4110436664	 0.3861126349	 0.0386982139	-0.040641
+C	 1.9110174938	 1.6938974966	-0.4865639725	 0.416233
+C	 3.3988542392	 1.925076168	-0.7039826886	-0.298057
+C	 3.5042979259	 3.4459880968	-0.9783452983	-0.215453
+C	 2.3083891578	 4.0871590133	-0.2307077745	-0.246305
+C	 1.2681426889	 2.9876975249	-0.2046000808	 0.003558
+O	 1.0935670411	 2.3346204704	-1.4756918389	-0.304628
+H	 0.4487188486	-1.5155206952	-0.5899822496	 0.11269
+H	 0.1031327149	-0.0613080529	-1.6793098284	 0.132765
+H	 2.0915631087	-0.1135579273	 0.73016421	 0.08956
+H	 3.9369835308	 1.6444643041	 0.2103633613	 0.103215
+H	 3.8070186804	 1.3228113925	-1.5218426728	 0.109069
+H	 4.4659144157	 3.8598794405	-0.6664757618	 0.099568
+H	 3.4001598352	 3.6266826519	-2.0499567152	 0.121825
+H	 2.5695453507	 4.3478903177	 0.8026231012	 0.1044
+H	 1.9504095515	 4.9997047558	-0.7172931565	 0.110992
+H	 0.3683364398	 3.05791827	 0.3991676431	 0.108083
+19
+0 439	3.3033454	1.3647908	1.1852516	1.4685	74.91	-0.24332	0.05865	0.30197	1099.0691	0.157297	-422.496087	-422.48817	-422.487226	-422.52879	30.211
+C	 0.6102058321	-1.0655415921	-0.679481227	-0.264635
+C	-0.8227458501	-0.9189360305	-1.1169152135	-0.271119
+C	-0.266595634	-0.00019367	-0.0580444248	-0.102427
+C	-0.6888684493	-0.1397796522	 1.3644134848	 0.396851
+C	 0.0139897005	 0.6617051672	 2.4795400282	-0.12341
+O	-1.2577088549	 0.9942378898	 3.0940031296	-0.293836
+C	-1.9977472594	 0.3226501556	 2.062296357	 0.007531
+C	-2.2200493861	-1.1648278373	 2.3533313259	-0.103042
+O	-0.9361069097	-1.5090034696	 1.7663211463	-0.33156
+H	 0.8525077293	-1.9249523618	-0.0656758668	 0.134249
+H	 1.3980878326	-0.744726154	-1.3512753832	 0.112139
+H	-1.02860355	-0.4990803374	-2.0949852652	 0.110352
+H	-1.5146804697	-1.6871734373	-0.7920345604	 0.123281
+H	-0.0675062908	 1.0256367689	-0.35476401	 0.088
+H	 0.6627897689	 0.070912114	 3.1345961823	 0.112396
+H	 0.5394252848	 1.5651601028	 2.1437998235	 0.099329
+H	-2.8035316487	 0.9274109292	 1.6425627317	 0.087483
+H	-2.2819640162	-1.4275969342	 3.4142037433	 0.114717
+H	-3.0443711694	-1.6300968812	 1.7983005583	 0.103701
+19
+0 440	3.2120658	1.3974571	1.2264912	1.8667	75.	-0.24397	0.06148	0.30545	1082.7129	0.15719	-422.497195	-422.489232	-422.488288	-422.530011	30.136
+C	 0.4613013131	 0.3033840561	-0.9700787172	-0.173882
+O	 0.0408719313	-0.004563122	 0.360397747	-0.238848
+C	 1.4127713	 0.3353598233	 0.149901018	-0.032192
+C	 1.8677515084	 1.6265663064	 0.7513667474	 0.455029
+C	 3.3662163843	 2.0149149884	 0.722446991	-0.287109
+C	 3.2638917829	 2.4696311682	 2.2129922473	-0.227558
+C	 1.7832098944	 1.99987475	 2.2681991574	-0.132062
+C	 0.7617232682	 3.0437356353	 1.8035025169	-0.084312
+O	 1.0134495416	 2.7409734008	 0.4081549462	-0.330094
+H	 0.4783288289	-0.5369320527	-1.6626659134	 0.110919
+H	 0.088958276	 1.2462922249	-1.3612959707	 0.133561
+H	 2.1058100606	-0.4989877456	 0.2704954504	 0.088541
+H	 4.0361730833	 1.1623881006	 0.5759769574	 0.101095
+H	 3.6042337386	 2.7848953793	-0.0140262445	 0.113024
+H	 3.9246388014	 1.9177402416	 2.8846233994	 0.105962
+H	 3.4105522892	 3.5381057334	 2.3921832084	 0.104405
+H	 1.4894613823	 1.3047468883	 3.0530059338	 0.084435
+H	-0.2760399479	 2.8136875411	 2.0720175736	 0.111924
+H	 0.9790954334	 4.0919459926	 2.0437357416	 0.097162
+19
+0 441	3.1786051	1.3319645	1.1461904	1.7057	74.71	-0.24483	0.06593	0.31076	1116.3993	0.157154	-422.494605	-422.486602	-422.485658	-422.527561	30.13
+C	 0.8768426315	-0.6099914893	-0.6215467192	-0.185069
+O	-0.0016068523	 0.2930156481	 0.0507967163	-0.23291
+C	 1.4084777737	 0.4913210234	 0.1955282727	-0.050033
+C	 2.0003127605	 0.2748400126	 1.5503136965	 0.314502
+C	 1.3485460095	-0.759098679	 2.5121422877	-0.309068
+C	 1.3282206893	 0.3062750435	 3.6535045613	-0.231077
+C	 2.0076302783	 1.3231158298	 2.7124413362	 0.067751
+O	 3.4473576258	 1.2859016374	 2.7894201951	-0.291534
+C	 3.5352581936	 0.3705374294	 1.6766203395	-0.131592
+H	 0.8912813431	-1.6246630622	-0.2264640328	 0.115309
+H	 0.8887214878	-0.5317466355	-1.7074797089	 0.119494
+H	 1.7825066682	 1.3712253971	-0.3324582452	 0.09541
+H	 0.3482378299	-1.0488528308	 2.1856305821	 0.124948
+H	 1.9399622358	-1.6594088916	 2.698216283	 0.097265
+H	 0.3181957268	 0.5955573965	 3.9546537102	 0.108382
+H	 1.9171194151	 0.0796293924	 4.5445186002	 0.111791
+H	 1.6191485927	 2.3436300376	 2.6537972724	 0.07795
+H	 4.0354360561	 0.8358358953	 0.8156222427	 0.097763
+H	 4.0601052746	-0.5585858047	 1.9328918803	 0.10072
+19
+0 442	3.866304	1.0630393	0.9100436	2.6326	79.37	-0.24073	0.00747	0.2482	1299.5428	0.157978	-422.534508	-422.526357	-422.525413	-422.567645	30.559
+C	 0.8420964991	 2.8735407996	-3.6351468111	-0.192244
+O	 1.7807080511	 3.5782756263	-2.8288092211	-0.235437
+C	 1.8468304256	 2.1399249749	-2.8413185929	-0.004928
+C	 1.5418834442	 1.4269490497	-1.5788099135	 0.296912
+C	 2.2377568006	 0.3484162187	-1.2100090945	-0.16877
+C	 1.9256085621	-0.419451766	 0.0445859082	-0.25642
+C	 0.563646283	 0.0091003749	 0.5961037443	-0.081915
+O	 0.4441580536	 1.4208183804	 0.6037056144	-0.242668
+C	 0.4332613902	 1.9634632856	-0.6999410617	-0.17467
+H	-0.1924120179	 2.9186794697	-3.2995307687	 0.116822
+H	 0.9816298813	 2.9660936613	-4.711786677	 0.118116
+H	 2.7092928979	 1.747044968	-3.3811998276	 0.091765
+H	 3.0635709813	 0.000717401	-1.8273692342	 0.084108
+H	 1.9248420708	-1.4989640808	-0.1546334047	 0.104891
+H	 2.7099111114	-0.2466374471	 0.7944872468	 0.119921
+H	-0.2418834413	-0.4380162262	-0.0104354221	 0.087729
+H	 0.4281541659	-0.317494963	 1.6307166111	 0.107806
+H	-0.5469751914	 1.7831493899	-1.1793540892	 0.091395
+H	 0.5455942724	 3.0465398133	-0.5910093168	 0.137586
+19
+0 443	3.9948896	1.0350505	0.8954952	1.1374	79.39	-0.23958	0.00778	0.24736	1308.8773	0.158014	-422.536007	-422.527896	-422.526952	-422.569	30.507
+C	 1.6639042792	 0.1018484722	 3.713574947	-0.190626
+O	 1.7764395032	 1.4837244478	 3.3876923464	-0.235046
+C	 0.7561204614	 0.7140975943	 2.7258284479	-0.009245
+C	 0.8917042113	 0.5170337444	 1.2623849438	 0.332132
+C	-0.1776004589	 0.5638535672	 0.4640130633	-0.188441
+C	-0.0939666161	 0.3473832101	-1.0206066377	-0.118259
+O	 1.1737743527	-0.0977189303	-1.4580506974	-0.246351
+C	 2.2387155146	 0.5932089892	-0.8251247169	-0.092963
+C	 2.2659660754	 0.2964989825	 0.6744425335	-0.316943
+H	 2.4860525767	-0.5273074403	 3.3772722955	 0.115641
+H	 1.2908574237	-0.1182667452	 4.7132336804	 0.117507
+H	-0.254794493	 0.9482814849	 3.0613263471	 0.088857
+H	-1.1655894047	 0.7744402753	 0.8679585572	 0.087261
+H	-0.8124156045	-0.41894314	-1.3372445951	 0.119288
+H	-0.3799380584	 1.2805230421	-1.5424798273	 0.098816
+H	 3.1556342319	 0.2554278861	-1.3154492582	 0.107844
+H	 2.1438167081	 1.6790914872	-0.9893876305	 0.092917
+H	 2.5932055758	-0.7387052873	 0.8385225133	 0.113224
+H	 2.9893385916	 0.9460898998	 1.1802914678	 0.124386
+19
+0 444	3.6238824	1.1679104	1.1509969	2.612	74.92	-0.24306	0.07961	0.32267	1147.1441	0.158684	-422.508868	-422.501464	-422.50052	-422.541195	28.845
+C	 0.8338990004	-0.6994995883	-2.6394733663	-0.18705
+O	 1.8730840369	 0.2322370609	-2.3489101778	-0.239207
+C	 0.9788679283	-0.1385490593	-1.2885866255	 0.045779
+C	 0.0773388145	 0.9494856137	-0.7850348721	-0.000113
+C	-1.2399788777	 0.635246281	 0.0146504235	-0.092962
+C	-1.0809467719	 2.0651230262	 0.622798937	-0.238293
+C	 0.4087222188	 1.658902022	 0.558823783	 0.087794
+O	 0.5021161064	 0.5681750198	 1.4951432944	-0.280653
+C	-0.6836001043	-0.1981728936	 1.1749203513	-0.085071
+H	 0.0431131036	-0.3296544492	-3.2919630716	 0.108379
+H	 1.1581103798	-1.7199573899	-2.8404403021	 0.114193
+H	 1.4451107412	-0.7580850985	-0.5242477188	 0.109354
+H	-0.1158426038	 1.6666370954	-1.5860636605	 0.085465
+H	-2.1528235508	 0.29073021	-0.4697538952	 0.073728
+H	-1.3479091285	 2.8588422726	-0.0761261524	 0.105318
+H	-1.501957789	 2.2519787202	 1.6133359767	 0.101302
+H	 1.2470391023	 2.3377645912	 0.7030942536	 0.086941
+H	-0.4084611014	-1.222458662	 0.8997445851	 0.101913
+H	-1.3553068148	-0.2333617621	 2.0404964975	 0.103184
+19
+0 445	3.5868839	1.1441047	1.1320552	2.0471	74.45	-0.2478	0.07862	0.32642	1161.816	0.158623	-422.512221	-422.504751	-422.503807	-422.54468	28.994
+C	 2.3817077205	-1.794803795	-1.9705292608	-0.185812
+O	 3.3013732313	-0.9032881159	-1.3452395896	-0.235504
+C	 2.0128999804	-1.0802712627	-0.7391795283	 0.047891
+C	 1.1058282254	 0.1138983345	-0.7735082108	 0.001812
+C	-0.3864335195	 0.0572510032	-0.3489788026	 0.051034
+C	-0.371764072	-0.5308903158	 1.078853124	-0.223032
+C	 0.7783197743	 0.3615353642	 1.6477193946	-0.224539
+C	 1.0508188067	 1.1717538735	 0.3629230188	 0.056475
+O	-0.3062421725	 1.490820859	-0.0799918004	-0.2986
+H	 1.9787825039	-1.4579652074	-2.9251239033	 0.114948
+H	 2.6443441474	-2.8508749749	-1.9245877544	 0.115897
+H	 2.0489117465	-1.6465574299	 0.1911424547	 0.095523
+H	 1.1936530107	 0.6255479762	-1.7340844669	 0.093393
+H	-1.1877651391	-0.2268813758	-1.0312230619	 0.079745
+H	-1.3259130294	-0.3580347969	 1.5799009642	 0.111107
+H	-0.1560388046	-1.6026049572	 1.1053492501	 0.0993
+H	 0.4439905409	 1.013966858	 2.4562294291	 0.111154
+H	 1.6467225968	-0.2038984253	 1.9964385697	 0.103816
+H	 1.7216800122	 2.0290140182	 0.4059277838	 0.085392
+19
+0 446	4.3939785	0.9674242	0.8922847	1.2545	75.6	-0.2279	0.07972	0.30762	1343.2613	0.157536	-422.507028	-422.498971	-422.498027	-422.540275	30.263
+C	 0.1993649959	 3.2985722993	-1.4092681414	-0.269558
+C	-1.0630126053	 2.4729467853	-1.3543020995	-0.269514
+C	-0.0344373168	 2.3531408554	-0.2558633673	 0.00965
+C	 0.7846906589	 1.1101073162	-0.1131349276	-0.125963
+C	 1.7856205198	 1.0171021114	 1.0298493015	 0.047505
+O	 2.854769976	 0.1088131449	 0.917306067	-0.260581
+C	 2.2882585727	-1.144348101	 0.5771600618	 0.016696
+O	 0.9352586921	-1.146902091	 0.9971736966	-0.260586
+C	 0.5370793356	 0.2003440788	 1.0818258281	 0.047544
+H	 0.9535585686	 3.0242337439	-2.1393250688	 0.114284
+H	 0.1284221189	 4.3648863514	-1.2252174136	 0.112702
+H	-1.9991156417	 2.973432704	-1.1325833192	 0.112693
+H	-1.1573558252	 1.6436368585	-2.0474058706	 0.114294
+H	-0.2994356084	 2.8212716127	 0.689610066	 0.079009
+H	 1.0591880626	 0.6308700131	-1.0495825411	 0.093428
+H	 2.0202010324	 1.8646825011	 1.6621035689	 0.111295
+H	 2.3461827998	-1.3021810037	-0.5124009352	 0.095226
+H	 2.8314702636	-1.9417658585	 1.0950867786	 0.120579
+H	-0.2953143394	 0.3498977381	 1.7585219258	 0.111295
+19
+0 447	4.2685523	0.9621249	0.8899882	3.0161	75.76	-0.23011	0.08728	0.31739	1341.8757	0.157911	-422.514092	-422.506135	-422.505191	-422.547143	29.917
+C	 3.4610235453	 2.5132587336	 0.1377662671	-0.187476
+O	 2.567272093	 2.8266789579	 1.2077040107	-0.238654
+C	 2.669741976	 1.4613916843	 0.7900094141	 0.080149
+C	 1.4654143909	 0.8541474052	 0.1580222305	-0.097067
+C	 1.4709749171	-0.6476897616	-0.1106370088	-0.101351
+C	 0.5003050554	-1.1714818245	-1.157466517	-0.252087
+C	-0.8404118022	-0.5179152239	-0.7459842973	-0.087793
+O	-0.7489075621	-0.2245624058	 0.6493297812	-0.257294
+C	 0.6059644547	-0.0853535752	 0.9777826072	 0.107093
+H	 3.1595657563	 2.8765594503	-0.8442923705	 0.110453
+H	 4.5216004206	 2.6185261434	 0.3639541182	 0.113083
+H	 3.1856204549	 0.8198703803	 1.5085083139	 0.087404
+H	 0.9631211976	 1.5007955921	-0.5560680172	 0.092399
+H	 2.3699828691	-1.2144775235	 0.1040610369	 0.090189
+H	 0.7721020773	-0.9183892074	-2.1865763294	 0.107411
+H	 0.4451490899	-2.262491745	-1.08317405	 0.111988
+H	-1.0112310879	 0.4072248604	-1.3133712756	 0.103452
+H	-1.7070574137	-1.1673514688	-0.8960536844	 0.111938
+H	 0.7886533778	-0.2153925019	 2.0383360603	 0.106164
+19
+0 448	4.2754091	0.9588178	0.8942874	2.2092	76.17	-0.25333	0.0895	0.34282999999999997	1336.4256	0.158048	-422.519906	-422.512007	-422.511063	-422.552887	29.698
+C	-2.3203355885	-1.1155079682	 0.0956880158	-0.188812
+O	-2.2563516264	-0.0932943496	 1.0918392443	-0.240105
+C	-1.3852704083	 0.0084802764	-0.0405069886	 0.073218
+C	 0.075029625	-0.1317633334	 0.217486237	-0.031759
+C	 0.9241793252	 1.114613315	 0.3162130932	-0.076597
+C	 2.2344481224	 0.9626871276	 1.0677129306	-0.10292
+O	 2.816710383	-0.2447782931	 0.5802987592	-0.253863
+C	 2.4246401306	-0.4165819634	-0.7788778385	-0.100065
+C	 1.0473964585	 0.2130098683	-0.8880020625	-0.085842
+H	-1.9423577396	-2.0903903353	 0.4021121418	 0.112794
+H	-3.2345051941	-1.1391895964	-0.4965245908	 0.113167
+H	-1.6573535743	 0.8089244581	-0.7325441672	 0.08739
+H	 0.3433084735	-0.9585053452	 0.8707127999	 0.100352
+H	 0.4543922782	 2.0897616353	 0.2592885288	 0.093507
+H	 2.8856209556	 1.829631852	 0.8691777426	 0.092782
+H	 2.1249339775	 0.852873379	 2.1514606782	 0.114644
+H	 3.1231270093	 0.089549658	-1.4654289473	 0.092642
+H	 2.4524515817	-1.4909923809	-0.9889410369	 0.109983
+H	 0.6744234108	 0.5034568258	-1.8635999295	 0.089486
+19
+0 449	4.0421374	0.9345829	0.8726875	2.1601	76.55	-0.25074	0.06984	0.32058000000000003	1383.6834	0.156041	-422.491488	-422.482954	-422.48201	-422.525429	31.378
+C	 3.1374265405	-1.273016945	 0.7997912817	-0.265209
+C	 3.7505002228	 0.0943539079	 0.9323184981	-0.270753
+C	 2.4168845674	-0.0698134732	 0.2382030918	-0.006286
+C	 1.1847346805	 0.4317928106	 0.9049402411	-0.03717
+O	-0.0835602086	 0.0649783431	 0.3121129181	-0.28401
+C	 0.29943925	 1.4217135542	 0.2939799185	 0.344202
+C	-0.5130678144	 2.5731223315	 0.8785926399	-0.1545
+O	-0.2394711696	 3.3690946501	-0.2967531765	-0.275903
+C	 0.4459986424	 2.2818811112	-0.9583941226	-0.153457
+H	 3.57647465	-1.9727515604	 0.098067347	 0.119599
+H	 2.725648488	-1.7348931317	 1.6909441915	 0.119287
+H	 3.7561781378	 0.5562984294	 1.9142124698	 0.11659
+H	 4.611845077	 0.3412916536	 0.3225023175	 0.119522
+H	 2.4105595774	 0.0317181215	-0.8426551566	 0.090633
+H	 1.1903193078	 0.3638141806	 1.9956671466	 0.091687
+H	-1.5817215598	 2.3511331381	 0.9955189702	 0.11421
+H	-0.1316747838	 3.0403536206	 1.7944510847	 0.108464
+H	-0.1060204769	 1.905997307	-1.829398148	 0.11365
+H	 1.4648537415	 2.5558083907	-1.2582357427	 0.109445
+19
+0 450	3.72785	0.9999916	0.9170983	2.9533	76.66	-0.23035	0.06904	0.29939	1327.2512	0.156096	-422.48792	-422.479356	-422.478412	-422.522107	31.33
+C	-2.3292615832	 1.3494528308	-1.7854729409	-0.18857
+O	-1.4301035613	 2.4491622281	-1.9369704806	-0.244402
+C	-0.8886852728	 1.1746155425	-1.5635372223	 0.10428
+C	-0.3034734262	 1.0640923037	-0.1981971678	-0.129677
+C	 1.2089527198	 1.2102333799	-0.0158397981	-0.373589
+C	 0.557332125	-0.1184839843	 0.1416377666	 0.450944
+C	 0.4824299992	-1.0734425758	 1.3276409149	-0.358568
+C	 0.6606927363	-2.1661735226	 0.2506992393	-0.069157
+O	 0.7776495639	-1.1743064134	-0.797626668	-0.304224
+H	-3.0004435326	 1.4096143899	-0.9287955466	 0.107084
+H	-2.7869593911	 0.984108612	-2.7041510651	 0.113665
+H	-0.3122936331	 0.6868401646	-2.3491860728	 0.105175
+H	-0.929154455	 1.4597320804	 0.5980877522	 0.089163
+H	 1.7996305478	 1.3612598433	-0.9141296213	 0.128889
+H	 1.5761264962	 1.7274329698	 0.8646343434	 0.11693
+H	 1.3057713789	-0.9880170978	 2.0395352053	 0.117752
+H	-0.4662633269	-1.0871359772	 1.8672827058	 0.115675
+H	 1.565678773	-2.7777879385	 0.3288971849	 0.110362
+H	-0.2053556278	-2.8192253653	 0.094290251	 0.108269
+19
+0 451	3.7283798	0.9554391	0.876328	0.1582	76.26	-0.24649	0.06444	0.31093	1356.8649	0.156311	-422.484021	-422.475499	-422.474555	-422.518042	31.078
+C	 1.5051373962	-1.6158851705	-1.1955860952	-0.188609
+O	 0.1803011555	-2.1516772436	-1.2070549565	-0.236524
+C	 0.3345669744	-0.729425628	-1.2372031654	 0.090762
+C	-0.1396208636	 0.0253559585	-0.0427694119	-0.097614
+C	-1.4598601876	 0.7712510259	-0.0964766985	-0.363835
+C	-0.1713571889	 1.5273030161	-0.0645338504	 0.279691
+C	 0.3447687772	 2.5028393455	 0.9884094742	-0.13547
+O	 0.8713017709	 3.368218714	-0.0414250895	-0.274893
+C	 0.4084823436	 2.4957947046	-1.0945050027	-0.137548
+H	 2.0501335763	-1.7381563107	-0.2600520077	 0.113628
+H	 2.0908122379	-1.7888570595	-2.097612537	 0.116031
+H	 0.0768874324	-0.2800325811	-2.1988269688	 0.090086
+H	 0.1181580374	-0.4411749003	 0.9049808632	 0.093002
+H	-2.0132842133	 0.7475656119	-1.0311828051	 0.119467
+H	-2.0829870077	 0.7723881971	 0.7921198214	 0.119975
+H	-0.4229373558	 3.0032214543	 1.5935449874	 0.103714
+H	 1.1349165715	 2.1240872972	 1.6504311481	 0.102027
+H	-0.3214669064	 2.9913927798	-1.7481993536	 0.10337
+H	 1.2386612701	 2.1175230889	-1.7056260421	 0.102738
+19
+0 452	3.7780088	0.9735136	0.8967305	3.2958	76.34	-0.26211	0.05736	0.31947000000000003	1353.5349	0.155949	-422.496919	-422.48844	-422.487495	-422.53075	31.399
+C	 2.0457417932	 1.4095708887	 3.0690439762	-0.18397
+O	 2.0373015342	-0.0056907955	 2.9022733804	-0.23003
+C	 1.6661890609	 0.8062111363	 1.7831583154	 0.068383
+C	 0.2414003716	 0.7344835117	 1.3556621282	-0.083315
+O	-0.0311665194	-0.034763396	 0.1695510346	-0.290882
+C	-0.238604656	 1.3629441688	 0.1188059357	 0.452173
+C	-1.5860499423	 2.0416223381	-0.1416770239	-0.312318
+C	-0.7942610066	 3.2318050334	-0.7639294264	-0.211481
+C	 0.4807191033	 2.3366165075	-0.8229769121	-0.313012
+H	 1.2735404669	 1.8078723765	 3.726734881	 0.114447
+H	 3.0273102677	 1.8688347491	 3.1770688528	 0.119093
+H	 2.3893979256	 0.8088391317	 0.9683982065	 0.105102
+H	-0.465333379	 0.5733576309	 2.1714966165	 0.100309
+H	-2.1643277738	 1.4892247753	-0.8882159793	 0.118747
+H	-2.2258959708	 2.2467348978	 0.7197543379	 0.106511
+H	-1.1624786335	 3.6200676986	-1.7145112799	 0.10786
+H	-0.6822045464	 4.0642488455	-0.0656541261	 0.108601
+H	 0.6321014944	 1.8887291964	-1.8094759475	 0.118615
+H	 1.4235715098	 2.7739390752	-0.48627111	 0.105166
+19
+0 453	4.7647292	0.8272907	0.7968557	1.9136	77.06	-0.25835	0.07346	0.33181000000000005	1493.8351	0.156065	-422.491598	-422.482948	-422.482004	-422.525714	31.632
+C	-1.1755357363	-3.7679008063	 1.86537261	-0.264404
+C	-1.2617308428	-2.2869904915	 2.1149455505	-0.270581
+C	-0.5440301391	-2.8034067612	 0.8885767462	-0.015894
+C	 0.9379717996	-2.6963634607	 0.818305936	 0.069776
+O	 1.5970539488	-3.3892216701	-0.2567687289	-0.262342
+C	 1.6372016033	-1.9636120776	-0.2492353404	-0.002096
+C	 2.9764002733	-1.327640312	-0.0256117226	 0.046439
+C	 4.2229113279	-2.0615089568	-0.2858997308	-0.170823
+O	 3.7586161927	-1.8395641718	 1.0490996746	-0.231417
+H	-0.5126293407	-4.3523072207	 2.4946988992	 0.119973
+H	-2.0698457203	-4.2937625458	 1.5512467624	 0.117
+H	-2.2139843673	-1.7889200653	 1.9727117434	 0.116372
+H	-0.6588078631	-1.8699422732	 2.914984909	 0.11819
+H	-1.0472054828	-2.6777617177	-0.0653685718	 0.088215
+H	 1.465354495	-2.7825111722	 1.7688729371	 0.108163
+H	 1.0390512984	-1.4861315343	-1.0283040211	 0.089634
+H	 2.9809852629	-0.2399291856	-0.1145793187	 0.09476
+H	 4.1546342904	-3.0911098454	-0.6278622086	 0.134769
+H	 5.1237172404	-1.5168872118	-0.5639755258	 0.114268
+19
+0 454	3.2519605	0.9945284	0.8661907	1.4917	76.15	-0.26075	0.0877	0.34845	1370.724	0.156052	-422.490762	-422.48209	-422.481145	-422.525094	31.575
+C	 2.3022597538	-3.0918387892	 4.8762270419	-0.179191
+O	 2.0771922707	-1.7229635105	 4.5180944189	-0.233603
+C	 2.9909615939	-2.4862996295	 3.7286639329	 0.061695
+C	 2.585042793	-2.7724917226	 2.3168283501	-0.056747
+C	 2.1126296553	-1.6577917188	 1.417117276	-0.310207
+C	 1.1310462971	-2.6906725285	 1.9225029993	-0.029088
+C	 0.5559290565	-3.7056978021	 0.9982222473	 0.082509
+C	-0.8914522526	-3.8746682506	 0.819382442	-0.186834
+O	-0.139672835	-4.8025270713	 1.604766035	-0.241681
+H	 2.8341989905	-3.2433970798	 5.813908854	 0.116652
+H	 1.4645818645	-3.7621814362	 4.6919781109	 0.128194
+H	 4.0345486863	-2.194505179	 3.8617894875	 0.09378
+H	 3.1743983491	-3.5543238693	 1.843253338	 0.093222
+H	 2.0379073112	-0.6622178138	 1.839853122	 0.128111
+H	 2.4035398209	-1.6878074459	 0.372154307	 0.111989
+H	 0.457937775	-2.3524575298	 2.7041812722	 0.107748
+H	 1.2049316674	-4.0006405861	 0.1703354737	 0.086786
+H	-1.575769328	-3.2367095861	 1.3778123265	 0.113588
+H	-1.2838962196	-4.263255201	-0.1197062454	 0.113077
+19
+0 455	4.3748268	1.0070107	0.9786786	2.232	75.91	-0.22737	0.0729	0.30027	1280.5859	0.15598	-422.491611	-422.48325	-422.482305	-422.525319	31.377
+C	-0.2358639454	-3.8989788655	-1.3168798369	-0.18343
+O	-0.9843910758	-3.5860609513	-0.1403008627	-0.222708
+C	-1.1001561655	-2.7148515872	-1.2654384043	 0.063104
+C	-0.5411698046	-1.3230925522	-1.1401548273	 0.10944
+C	 0.5263262745	-1.062846236	-0.0541689656	-0.394381
+C	-0.5120763188	-0.1026434016	 0.512804826	 0.473236
+C	-0.9075157399	 0.1820024865	 1.9197779608	-0.325584
+C	-0.3532503079	 1.289274228	 1.0277172537	-0.33545
+O	-1.4788934644	-0.4250755405	-0.4918082132	-0.323223
+H	 0.8437010034	-3.782819733	-1.2251445103	 0.115306
+H	-0.5621051917	-4.7832246	-1.8616510996	 0.120772
+H	-2.0695969163	-2.7582332403	-1.7639703048	 0.104883
+H	-0.2833769322	-0.9489950103	-2.1406498297	 0.08188
+H	 0.7306047155	-1.931411195	 0.573647236	 0.130823
+H	 1.4565369516	-0.612039475	-0.4027884326	 0.108415
+H	-1.9700298324	 0.2032740532	 2.1369784904	 0.125905
+H	-0.2865939725	-0.2037940607	 2.7219776479	 0.115438
+H	-1.0550839076	 2.0326190033	 0.6648224398	 0.123559
+H	 0.6474368499	 1.6631355578	 1.2208004724	 0.112015
+19
+0 456	5.6598613	0.804736	0.7686789	1.9726	76.68	-0.26223	0.07027	0.3325	1485.4208	0.156062	-422.49561	-422.487202	-422.486258	-422.529398	31.303
+C	 2.7201476604	-4.6718743428	-1.0395084376	-0.185558
+O	 2.7055557139	-4.0384264276	-2.3196220951	-0.239018
+C	 2.7099983708	-3.2076524313	-1.1549389899	 0.084065
+C	 1.4793247843	-2.3878577523	-0.9017428757	 0.009559
+C	 1.3645740972	-1.6717582547	 0.4829609133	-0.345416
+C	 0.8656807812	-0.4379659672	-0.2714107203	 0.468414
+C	-0.3232682606	 0.3738587128	-0.0100986143	-0.267304
+O	 1.0034783014	 0.8973100715	 0.1655557596	-0.270835
+C	 1.3735232173	-0.9943908001	-1.6021264794	-0.33571
+H	 1.8036906035	-5.1941289748	-0.7663146086	 0.11144
+H	 3.6427269581	-5.1905793322	-0.7823553653	 0.115698
+H	 3.6548115082	-2.6826590036	-0.9928898392	 0.089492
+H	 0.5937985885	-2.9946392309	-1.1087462612	 0.080724
+H	 0.711299058	-2.1180768754	 1.2358715213	 0.108952
+H	 2.3481642515	-1.488814977	 0.9290464395	 0.11464
+H	-0.884681043	 0.7986005777	-0.8416251398	 0.116613
+H	-0.8909189212	 0.2275945819	 0.9083765899	 0.115021
+H	 0.7270027141	-0.9130015723	-2.4780628753	 0.113276
+H	 2.3605796763	-0.5892160316	-1.849030362	 0.115947
+19
+0 457	4.1268667	1.1255381	1.0565883	2.5828	74.72	-0.24933	0.08373	0.33306	1184.6373	0.158497	-422.514447	-422.506992	-422.506048	-422.546785	28.956
+C	-0.6169970305	-2.6016251886	-1.9147843742	-0.186862
+O	-1.8318882014	-2.0128188386	-1.4479514788	-0.245718
+C	-0.6597325195	-1.1911728538	-1.5119573709	 0.077443
+C	-0.1069540713	-0.7102230938	-0.1970702368	-0.002088
+C	 1.3324124003	-0.0977155162	-0.3001240382	-0.256118
+C	 0.9782813527	 1.3261503078	 0.1770939622	 0.086663
+C	 0.1080845245	 1.0911485116	 1.4310226635	-0.236323
+C	-0.815623806	 0.5734718488	 0.309865421	 0.066057
+O	-0.250526295	 1.5973569263	-0.5713605037	-0.300597
+H	-0.1684426298	-3.3370343278	-1.2470840947	 0.10822
+H	-0.5992602626	-2.8659728161	-2.971320904	 0.114082
+H	-0.6893999248	-0.4323155273	-2.2945492561	 0.105956
+H	-0.1719167449	-1.5203666879	 0.5352917191	 0.075897
+H	 2.0631331204	-0.6001097986	 0.3386005617	 0.101919
+H	 1.710840654	-0.0919576467	-1.325397592	 0.109954
+H	 1.7290722016	 2.1122365269	 0.1012224069	 0.081221
+H	 0.4546743223	 0.399686725	 2.2038325345	 0.094595
+H	-0.254428128	 2.026109105	 1.8586564655	 0.113789
+H	-1.903660712	 0.5778653241	 0.3637391449	 0.091911
+19
+0 458	3.8837233	1.3060979	1.2737924	1.5931	74.68	-0.24201	0.09043	0.33244	1061.5323	0.158738	-422.510494	-422.503261	-422.502317	-422.542287	28.67
+C	-1.0248800664	 0.1744299441	 3.6714439354	-0.173993
+O	 0.3732553531	-0.123543061	 3.7494934811	-0.228674
+C	-0.0364815303	 0.9870043886	 2.95285378	 0.051454
+C	 0.1205388223	 0.9169658469	 1.45005143	 0.098369
+O	-0.4637121089	-0.2760270958	 0.8879678109	-0.294219
+C	 0.6352072416	-0.8170273183	 0.120975136	 0.110857
+C	 1.8298491537	-0.7248438774	 1.0969104168	-0.240355
+C	 1.552277351	 0.8010228048	 0.8872476194	-0.080124
+C	 1.2121990128	 0.429101911	-0.5924425215	-0.237717
+H	-1.6139547774	-0.5427210476	 3.1062999078	 0.133975
+H	-1.4712326238	 0.5533370754	 4.5893457412	 0.110675
+H	 0.2352492166	 1.9580522219	 3.3726698701	 0.090299
+H	-0.3906378186	 1.8017372907	 1.039820719	 0.075603
+H	 0.3108772238	-1.7264787356	-0.3814988654	 0.079634
+H	 1.6957944593	-1.1442848904	 2.0918663858	 0.135192
+H	 2.7741687232	-1.0338338326	 0.6454364251	 0.096407
+H	 2.2635743221	 1.5810841482	 1.1558298771	 0.07313
+H	 0.5120167033	 1.0629398422	-1.142764788	 0.097288
+H	 2.1008767426	 0.2155320948	-1.1885075708	 0.102199
+19
+0 459	4.6768206	1.0734919	0.9693769	0.5228	75.29	-0.2275	0.09181	0.31931	1256.6602	0.157193	-422.514735	-422.506795	-422.505851	-422.547703	30.435
+C	-2.0121082371	-2.9194946752	 1.6285242025	-0.267396
+C	-3.0624443458	-1.905831381	 1.264053076	-0.267406
+C	-1.6499361235	-1.45850147	 1.5428562581	 0.005427
+C	-0.7967850672	-0.9826818122	 0.4077866357	 0.200009
+O	-1.0132220565	 0.4040766305	 0.1554942723	-0.272918
+C	 0.2256141113	 0.9707158583	-0.180931349	 0.070722
+C	 1.0408026624	 0.3140109214	-1.2805887792	-0.359062
+C	 1.2660528218	-0.0337259136	 0.1800227014	 0.070723
+O	 0.5876213198	-1.1413829774	 0.7108709821	-0.272922
+H	-2.0444209481	-3.3734436002	 2.6120136257	 0.117026
+H	-1.6459466271	-3.5778717711	 0.8477511727	 0.117726
+H	-3.4084647169	-1.8769015889	 0.2361545017	 0.117722
+H	-3.8229541197	-1.657010405	 1.9948600719	 0.117026
+H	-1.4615202195	-0.9294789544	 2.4711648783	 0.093483
+H	-1.0305537293	-1.5540216672	-0.5082586386	 0.065871
+H	 0.2686828065	 2.0335707161	 0.0194792487	 0.110422
+H	 0.5713582143	-0.408720743	-1.9385848774	 0.126483
+H	 1.7993917295	 0.9302665896	-1.7523609739	 0.116642
+H	 2.1993020349	 0.1697470132	 0.6892623212	 0.110423
+19
+0 460	4.5822342	1.0329981	0.935708	1.2649	74.89	-0.23475	0.08698	0.32172999999999996	1275.0128	0.157743	-422.517147	-422.509252	-422.508308	-422.55016	30.009
+C	 1.0208676848	 4.0547411113	-2.2056931694	-0.177319
+O	-0.1666532112	 4.696811394	-1.733227217	-0.239719
+C	 0.6340225288	 3.9780387908	-0.7941592877	 0.066813
+C	-0.0009347441	 2.7416785606	-0.208719263	 0.104566
+C	-1.0125115682	 3.0214061372	 0.9326433633	-0.260706
+C	-0.7707779444	 1.8840398686	 1.9099381202	-0.074475
+C	-0.7354116	 0.4722127898	 1.3454854038	-0.322373
+C	 0.5327657546	 1.2735379877	 1.4870638621	 0.12113
+O	 1.038571	 1.9346850194	 0.3555107955	-0.274897
+H	 0.8607194446	 3.1937673984	-2.8530665468	 0.117135
+H	 1.8248666325	 4.7234595256	-2.5083333701	 0.117685
+H	 1.1664918914	 4.60061683	-0.0734119204	 0.09577
+H	-0.4974169339	 2.1944313948	-1.0224773843	 0.077587
+H	-0.7864158561	 3.9770186829	 1.4193567438	 0.107444
+H	-2.0345115333	 3.0775622957	 0.5487439546	 0.116858
+H	-1.0255294106	 2.0292703225	 2.9529254053	 0.091972
+H	-0.8875355059	-0.341168817	 2.046929019	 0.113039
+H	-1.1331846793	 0.2845217816	 0.3534679509	 0.118425
+H	 1.3203790603	 0.9697049158	 2.1660271502	 0.101066
+19
+0 461	4.3875673	1.0066616	0.9127652	2.4255	74.57	-0.26125	0.09287	0.35412	1288.491	0.157877	-422.528932	-422.521092	-422.520148	-422.561797	29.803
+C	-0.8270003811	-2.0079423331	-4.064069102	-0.182643
+O	 0.576334393	-1.8489483373	-4.2783780493	-0.241851
+C	 0.0951704589	-1.8523643023	-2.9318435922	 0.07395
+C	 0.221482085	-0.5651227489	-2.1593792727	 0.005147
+C	-0.6674676411	-0.528175194	-0.885502995	-0.271009
+C	 0.0757145654	 0.3965416068	 0.0566907514	 0.051136
+O	 0.517254252	 1.6125681797	-0.5641288665	-0.25816
+C	 1.462023938	 0.5430693811	-0.4023889558	 0.045871
+C	 1.6640886246	-0.283716397	-1.6549278059	-0.259546
+H	-1.4441883151	-1.1645502489	-4.3719225308	 0.113508
+H	-1.2301634638	-2.9901719852	-4.3070915979	 0.113604
+H	 0.3632856188	-2.7540690959	-2.3745834522	 0.087038
+H	-0.0758992735	 0.2557377575	-2.8161349048	 0.096728
+H	-1.6861476747	-0.1926447154	-1.1017819676	 0.113387
+H	-0.7403201456	-1.5219794645	-0.4230948032	 0.10079
+H	-0.2167019207	 0.4847150733	 1.1000955487	 0.093673
+H	 2.2890977481	 0.7517777129	 0.2716314523	 0.093901
+H	 2.2726355202	 0.2172588765	-2.4125722407	 0.122736
+H	 2.1772493615	-1.2165707252	-1.3855172358	 0.101739
+19
+0 462	4.4981671	1.0386066	0.9301141	1.3276	75.9	-0.2442	0.06237	0.30657	1290.7654	0.157303	-422.493024	-422.485072	-422.484127	-422.526144	29.902
+C	-1.3617533125	 3.2601561209	-1.5569695636	-0.266232
+C	-2.3319054352	 2.1144426456	-1.6705610581	-0.27464
+C	-0.8609079916	 1.8411378529	-1.45521312	 0.016284
+C	-0.4036131322	 1.3060261258	-0.1339629981	 0.094368
+O	 1.017617214	 1.5689615413	 0.108607273	-0.312704
+C	 1.3256838627	 0.1691991753	 0.1675905199	 0.063478
+C	 1.1605777717	-0.4458034195	 1.5674455518	-0.096284
+O	-0.2457446237	-0.7142027903	 1.3200443835	-0.295668
+C	-0.1529898198	-0.2147952635	-0.0248660994	 0.040018
+H	-1.1177185855	 3.8222099946	-2.4511045727	 0.116007
+H	-1.3783924831	 3.8536784342	-0.6490545601	 0.11971
+H	-3.0072236524	 1.9358727969	-0.8400677106	 0.118131
+H	-2.7547080413	 1.8856175279	-2.6420717715	 0.115762
+H	-0.30462192	 1.4620139358	-2.3084113786	 0.084078
+H	-1.0250526917	 1.6925179853	 0.6840462279	 0.084506
+H	 2.1834010195	-0.1098130277	-0.4468362529	 0.088452
+H	 1.7150880345	-1.3778394191	 1.7352907469	 0.103446
+H	 1.3232000383	 0.2452100975	 2.4013340969	 0.114389
+H	-0.5915983318	-0.8831399639	-0.7684969343	 0.086898
+19
+0 463	3.8404194	1.114288	1.0008159	1.9724	75.11	-0.24413	0.06382	0.30795	1223.9799	0.157631	-422.4905	-422.482599	-422.481655	-422.52372	29.562
+C	 1.4027565803	 0.1989279822	 4.1905974876	-0.186336
+O	 0.9731723959	 1.5588841797	 4.2576523925	-0.243741
+C	 0.4159819695	 0.7206466685	 3.2361095758	 0.090498
+C	 0.7742422341	 1.0688757618	 1.8207586446	-0.022645
+C	-0.0198878354	 2.2166758399	 1.1081448732	-0.265311
+C	-0.3516333269	 1.2639212862	-0.0758907128	-0.076935
+C	-1.6487181171	 0.4664596752	 0.1119653554	-0.075904
+O	-0.9846924792	-0.495464855	 0.9694202081	-0.293643
+C	 0.3089967028	 0.0944914011	 0.7083998955	 0.096409
+H	 2.4339758211	 0.0495949955	 3.8712750008	 0.108225
+H	 1.0770758432	-0.437951001	 5.0119963679	 0.115288
+H	-0.6289540885	 0.4583098544	 3.3956586917	 0.102568
+H	 1.8527073026	 1.2441747599	 1.7517460532	 0.076633
+H	-0.896991742	 2.5776285539	 1.6534273516	 0.106679
+H	 0.5954164475	 3.0782882527	 0.8439198069	 0.110644
+H	-0.0718119566	 1.5754011413	-1.0807262345	 0.078889
+H	-2.477167301	 0.9766491306	 0.6189369522	 0.103044
+H	-2.0272129985	-0.0156728175	-0.7988696804	 0.101836
+H	 1.0205371281	-0.6350072994	 0.3109526106	 0.073803
+19
+0 464	4.3605946	1.0051644	0.901084	1.4606	75.42	-0.24435	0.06919	0.31354000000000004	1301.8541	0.157282	-422.491347	-422.48337	-422.482426	-422.524728	29.698
+C	 2.771024455	-1.5688115583	-1.3601243451	-0.187973
+O	 1.6279866713	-1.7800991929	-2.1913533324	-0.241501
+C	 1.6981968536	-0.5688966358	-1.4337450745	 0.076753
+C	 0.683476767	-0.3943256527	-0.3396945786	-0.004026
+C	 0.905604957	 0.8684507285	 0.5606189443	-0.26951
+C	-0.4958045119	 1.3826216649	 0.1727579673	 0.125398
+O	-1.5357057681	 0.8889706741	 1.0427220701	-0.294329
+C	-1.8661391537	-0.1789491616	 0.1218409467	-0.086639
+C	-0.6926793287	 0.1836498031	-0.7986130126	-0.092005
+H	 2.8392294875	-2.2164531838	-0.4867020828	 0.113503
+H	 3.7093957315	-1.4005572814	-1.8868654352	 0.115412
+H	 1.8804156776	 0.3193344732	-2.0441927078	 0.089555
+H	 0.5899324257	-1.3364068153	 0.2086571294	 0.077842
+H	 1.0475303587	 0.6923309295	 1.628565119	 0.114432
+H	 1.7142300514	 1.5095328208	 0.1937489774	 0.100406
+H	-0.626523037	 2.4405874409	-0.070719959	 0.075754
+H	-1.8363545347	-1.1677586165	 0.5970079867	 0.101963
+H	-2.8581560544	-0.0258936793	-0.3225303592	 0.101588
+H	-0.8743497276	 0.2610671526	-1.8699123437	 0.083376
+19
+0 465	4.5197235	1.0249098	0.9225923	1.0623	75.58	-0.24603	0.06259	0.30862	1294.4821	0.157135	-422.494086	-422.486053	-422.485109	-422.527559	29.86
+C	 2.7830855408	-0.9326425508	-2.0292127343	-0.179461
+O	 1.8056423743	-1.9362069576	-1.7451065728	-0.237306
+C	 1.423701017	-0.5639189083	-1.6200263402	 0.069589
+C	 1.1244834359	-0.0970034758	-0.2209685923	 0.112736
+O	 1.0649014215	 1.3523931777	-0.1632777132	-0.312399
+C	-0.3313789838	 1.3325836504	 0.2079209426	 0.123308
+C	-0.5522708439	 1.3874202709	 1.7366200599	-0.23034
+C	-0.5296747445	-0.1744094472	 1.7848255488	-0.244166
+C	-0.3404173496	-0.2227456026	 0.2442426524	-0.094471
+H	 3.5980734344	-0.8571608578	-1.3105783848	 0.117473
+H	 3.0727503948	-0.8442502968	-3.0749581181	 0.118397
+H	 0.7302281457	-0.2111935437	-2.3851880888	 0.0943
+H	 1.8727077807	-0.5117572923	 0.4682014698	 0.078076
+H	-0.9374087571	 1.9715100861	-0.4396786673	 0.076133
+H	 0.2424223738	 1.9075927011	 2.2756778372	 0.112401
+H	-1.5158228373	 1.8167066828	 2.0245653526	 0.102613
+H	 0.2785203502	-0.6293972912	 2.3639347938	 0.104561
+H	-1.4737647443	-0.6107829004	 2.1176464493	 0.10646
+H	-0.9974956685	-0.8636317644	-0.3426653648	 0.082096
+19
+0 466	2.7463266	1.3324936	1.010531	0.8351	75.74	-0.24698	0.05739	0.30437000000000003	1206.304	0.156269	-422.489307	-422.480815	-422.479871	-422.523229	31.242
+C	 2.7663937243	 3.3675638786	-2.7773471337	-0.178127
+O	 3.1990345468	 4.3826190146	-1.8687362973	-0.240707
+C	 2.5522152994	 3.2219750045	-1.3335314224	 0.071571
+C	 1.2084247344	 3.4737687108	-0.7054365975	 0.047052
+O	 0.5144892982	 2.2378420773	-0.4067876429	-0.300367
+C	 0.4282844116	 2.5549455257	 1.0034404283	-0.139612
+C	 1.1841810615	 3.8583284113	 0.7754316059	 0.285285
+C	 0.9636657353	 5.2021068091	 1.3923809143	-0.324463
+C	 2.2757825366	 4.4769410734	 1.5947352279	-0.328441
+H	 1.9297440664	 3.6405296941	-3.4191248966	 0.1185
+H	 3.562524993	 2.8046571456	-3.2616155484	 0.118672
+H	 3.2059715332	 2.5523617482	-0.7740523825	 0.095856
+H	 0.6149631469	 4.1284395401	-1.3592574433	 0.078699
+H	-0.6134409604	 2.6571276542	 1.3345253298	 0.103197
+H	 0.9303781559	 1.8003183761	 1.6226282997	 0.103836
+H	 0.9557321906	 6.0682364493	 0.7382514287	 0.123596
+H	 0.2788209347	 5.2685847705	 2.2321482478	 0.114461
+H	 3.149793172	 4.853348548	 1.0735810735	 0.136543
+H	 2.4818106796	 4.0513882986	 2.5719228985	 0.11445
+19
+0 467	2.8515917	1.2895764	0.999517	1.8006	75.66	-0.22934	0.07613	0.30547	1213.3112	0.156035	-422.489404	-422.48088	-422.479936	-422.523514	31.405
+C	-1.6705776344	-1.3135311008	 3.3258038981	-0.188919
+O	-1.9348160843	 0.0593082407	 3.0327104199	-0.241114
+C	-1.7149235191	-0.8363832001	 1.9376375665	 0.08927
+C	-0.4712485395	-0.6029227069	 1.128427507	-0.171301
+C	-0.1896478649	-1.6161713713	-0.008065312	-0.095809
+O	-0.3322649813	-0.5973743927	-1.0207420449	-0.306211
+C	-0.5853000491	 0.3973715084	-0.0247254992	 0.463117
+C	-1.5595817255	 1.507711307	-0.2408065997	-0.341267
+C	-0.0633796337	 1.7877024093	-0.1490837356	-0.335306
+H	-0.7074519099	-1.5139340255	 3.7942231072	 0.114046
+H	-2.5097457633	-1.8758293518	 3.7326668484	 0.11767
+H	-2.6129167561	-1.0479228319	 1.3543564376	 0.099485
+H	 0.3756178467	-0.4189274652	 1.7940074568	 0.087387
+H	 0.8128024602	-2.0580009262	-0.0083559517	 0.107392
+H	-0.9349688749	-2.4131004697	-0.1232170703	 0.102603
+H	-2.0195716126	 1.5739093742	-1.2209691364	 0.123561
+H	-2.1935003148	 1.8082280222	 0.5869075781	 0.132539
+H	 0.4541772631	 2.0345313703	-1.0699979813	 0.123247
+H	 0.3184470534	 2.2822037901	 0.7384045617	 0.119609
+19
+0 468	2.8179619	1.3059536	0.9976645	1.6333	76.01	-0.25097	0.06978	0.32075000000000004	1221.1547	0.156214	-422.492124	-422.483655	-422.482711	-422.525942	31.325
+C	-1.6254794091	-1.0131029137	-2.9842385889	-0.274136
+C	-1.8993984949	-0.8761043292	-1.5111893274	-0.268081
+C	-0.4755102784	-0.8695596088	-2.0178864595	 0.03017
+C	 0.3081385377	 0.4046024957	-1.9896988886	 0.027379
+O	 1.3688086302	 0.4683314076	-2.987011702	-0.300203
+C	 2.3991584932	 0.6618828058	-1.9943622453	-0.152456
+C	 1.3605168078	 0.5690556716	-0.8859713383	 0.354858
+C	 1.2877081776	 1.1246559792	 0.4605667776	-0.258641
+O	 1.471191335	-0.2835206093	 0.233364241	-0.251307
+H	-1.7748391619	-1.9797598648	-3.4512903122	 0.116826
+H	-1.8538429283	-0.1693212964	-3.6268183818	 0.11755
+H	-2.319350459	 0.059970092	-1.1572347259	 0.109853
+H	-2.2337307647	-1.7467535723	-0.959243359	 0.118219
+H	 0.1131447759	-1.7594214093	-1.8194726339	 0.093881
+H	-0.3653986804	 1.2681113777	-2.0954249724	 0.073707
+H	 3.142950402	-0.1442692684	-1.9958316467	 0.116935
+H	 2.9063374676	 1.6289800277	-2.1026872568	 0.105569
+H	 2.1474633751	 1.6440542432	 0.8819722805	 0.119681
+H	 0.3217434045	 1.4065127315	 0.8777805997	 0.120195
+19
+0 469	2.7978279	1.287472	0.9953578	1.8499	75.34	-0.25879	0.06448	0.32327	1215.4609	0.156049	-422.494614	-422.486109	-422.485164	-422.528705	31.319
+C	-0.3138559515	 2.3627395813	-1.885586511	-0.184033
+O	-0.6066462498	 3.5096035379	-1.0830033555	-0.246799
+C	 0.3188500415	 2.5433188077	-0.5755749209	 0.122448
+C	-0.119905187	 1.7729155388	 0.6416036929	-0.146413
+C	 0.2177224705	 2.4639452564	 2.0052402272	-0.236716
+C	 1.4074337174	 1.4781560802	 2.2150289341	-0.318552
+C	 0.8575515221	 0.6546809978	 1.0497708528	 0.459261
+C	 0.6822407263	-0.793244265	 0.9340546429	-0.263786
+O	 1.6469695667	-0.0893216214	 0.1385386224	-0.268398
+H	-1.1290678927	 1.6482042001	-1.9935452353	 0.11026
+H	 0.254429102	 2.5572330542	-2.7937721185	 0.117105
+H	 1.3542650319	 2.8891891261	-0.5620774412	 0.093926
+H	-1.1631180379	 1.4698450645	 0.5155302254	 0.078591
+H	 0.4710635982	 3.5238241706	 1.9445862327	 0.115401
+H	-0.5763539744	 2.3359981253	 2.7430174745	 0.109952
+H	 2.3772437054	 1.9221603943	 1.9724418123	 0.118854
+H	 1.4844839334	 0.9812883126	 3.1848987081	 0.108223
+H	 1.0991613997	-1.4509142	 1.6960654295	 0.116218
+H	-0.1700608818	-1.1953824314	 0.3871284577	 0.114458
+19
+0 470	3.7870024	1.1583495	1.001985	2.3747	75.07	-0.24997	0.09035	0.34032	1218.3669	0.157586	-422.522127	-422.514204	-422.51326	-422.555116	30.024
+C	-2.510243863	-0.9405013286	-2.4525429129	-0.269603
+C	-2.8103194573	-1.0996962009	-0.9845405357	-0.272046
+C	-1.3948149987	-1.2512490014	-1.4911443346	 0.014621
+C	-0.3702007174	-0.1893145201	-1.1616685696	 0.068379
+O	 0.6555905604	-0.0844615096	-2.1596854723	-0.270561
+C	 1.8358830324	-0.7633572776	-1.743171213	-0.110055
+C	 1.7423096386	-0.8623591258	-0.2382106834	 0.021607
+O	 1.4577246708	 0.3956584863	 0.3812047723	-0.256841
+C	 0.3711340422	-0.499199658	 0.1258435318	 0.01969
+H	-2.8316287053	-1.7211366758	-3.1324957318	 0.114026
+H	-2.5449113514	 0.0584429733	-2.8743257935	 0.12056
+H	-3.0528462803	-0.2068329734	-0.4169057239	 0.114697
+H	-3.3353895086	-1.9888541743	-0.6544850704	 0.113748
+H	-0.9980430888	-2.2630427323	-1.5204710473	 0.080902
+H	-0.860576192	 0.7922090967	-1.117752057	 0.089732
+H	 1.9040389585	-1.7733957502	-2.1787508686	 0.09441
+H	 2.6976341944	-0.1800406154	-2.0854438265	 0.118578
+H	 2.3603652972	-1.5554016448	 0.3257844536	 0.102602
+H	-0.1553742017	-0.8886837683	 0.9923328928	 0.105552
+19
+0 471	3.7172725	1.1300233	0.9929105	1.8251	74.16	-0.25929	0.08541	0.3447	1217.8599	0.157928	-422.52808	-422.520211	-422.519267	-422.56103	29.802
+C	-1.367418632	-2.2883160243	-2.1851626762	-0.186738
+O	-0.5091550188	-1.966449195	-3.281357536	-0.240439
+C	-0.1235223854	-1.5363233886	-1.9744068938	 0.091677
+C	-0.1092664979	-0.0423186863	-1.7341370604	-0.059487
+C	 1.1652255349	 0.6414071107	-2.3058276555	-0.239326
+C	 2.201630852	 0.6485895152	-1.1530494501	-0.243341
+C	 1.3477635915	 0.6566945051	 0.0988672845	 0.058163
+O	 0.283770676	 1.6192389734	 0.0550863351	-0.267397
+C	-0.0233644339	 0.2528117221	-0.2432621866	 0.042258
+H	-2.3205614678	-1.7605907383	-2.1698554874	 0.115316
+H	-1.418223778	-3.3443269033	-1.9236161313	 0.115856
+H	 0.7308266267	-2.0836566653	-1.5693021666	 0.091322
+H	-1.015273615	 0.3812989985	-2.1804408455	 0.085072
+H	 1.5291298245	 0.1330480826	-3.20157544	 0.115222
+H	 0.9237693415	 1.6684021731	-2.5842279669	 0.119524
+H	 2.8208308337	-0.2570357464	-1.1551326245	 0.104727
+H	 2.8794934237	 1.5056921494	-1.2081326068	 0.111831
+H	 1.7826106834	 0.4896579334	 1.0812081256	 0.092887
+H	-0.6895780691	-0.2416817059	 0.4601833423	 0.092871
+19
+0 472	3.6992007	1.1497582	1.0045146	1.0407	74.49	-0.23262	0.08822	0.32084	1211.3124	0.157867	-422.51528	-422.507411	-422.506466	-422.548199	29.905
+C	 2.89176668	-1.4326799241	 2.8525167867	-0.192622
+O	 3.1501984439	-0.0538748235	 2.5771303703	-0.244422
+C	 1.9991235358	-0.6576817531	 1.9828814488	 0.100581
+C	 2.0088980031	-0.7995399133	 0.476485462	-0.058764
+C	 0.8249989348	-1.6696595922	-0.0229877629	-0.11961
+O	-0.252424119	-0.7807961568	-0.3120678944	-0.25654
+C	 0.2961619683	 0.4725538211	-0.6342734063	 0.125405
+C	 1.3909164098	 0.54140743	-1.6662010745	-0.352612
+C	 1.7265647077	 0.5459137097	-0.1834628464	-0.066436
+H	 3.5956931241	-2.1362059391	 2.4087177557	 0.112217
+H	 2.5951497403	-1.6584388041	 3.875849447	 0.116057
+H	 1.0514045939	-0.3133115515	 2.401959382	 0.101348
+H	 2.9679060152	-1.2287213747	 0.1679903321	 0.082003
+H	 1.1130502051	-2.2296979169	-0.9225441562	 0.100576
+H	 0.4744035365	-2.3900812579	 0.7225249544	 0.11177
+H	-0.4267641064	 1.2714648487	-0.5237328325	 0.102457
+H	 1.616224974	-0.3361211193	-2.2630148447	 0.1165
+H	 1.5118483929	 1.4803282084	-2.1957804848	 0.116223
+H	 2.1557455401	 1.4329959086	 0.2662029635	 0.105867
+19
+0 473	3.2660908	1.3357311	1.2120803	1.513	74.19	-0.24793	0.09182	0.33975	1095.0671	0.15808	-422.521428	-422.513638	-422.512694	-422.554224	29.701
+C	 0.4738619849	-1.2608732929	 3.4832945428	-0.191722
+O	 0.0836907535	 0.0103367541	 2.9607216878	-0.226911
+C	-0.3778432949	-1.1675429575	 2.2925270182	 0.067319
+C	 0.1107982406	-1.4401381883	 0.8810167166	 0.062657
+O	-0.811131339	-0.9077395525	-0.0790600827	-0.274581
+C	-0.386589238	 0.4088643175	-0.444255355	-0.100086
+C	 1.1235557549	 0.3927691194	-0.323575272	-0.035915
+C	 1.820072282	-0.8060547195	-0.9143993954	-0.312528
+C	 1.4463001662	-0.7972410391	 0.5464388794	-0.04186
+H	 1.5303464157	-1.5053381849	 3.3809904324	 0.113112
+H	 0.0301927054	-1.5315083396	 4.4403548952	 0.118063
+H	-1.445570029	-1.3567335445	 2.4129264941	 0.102547
+H	 0.1026893062	-2.5274566368	 0.7249749836	 0.088133
+H	-0.7591242482	 0.5921024589	-1.4577612274	 0.10605
+H	-0.81338395	 1.167004162	 0.2289812728	 0.10606
+H	 1.6515003306	 1.3320500286	-0.2143488965	 0.092377
+H	 1.2565388078	-1.4487399136	-1.584015917	 0.121551
+H	 2.8716563791	-0.7040347671	-1.1576672715	 0.110759
+H	 2.2200445222	-0.7489215641	 1.3011820644	 0.094976
+19
+0 474	3.8743132	1.086724	0.9029974	1.3847	77.11	-0.24685	0.02088	0.26773	1290.3002	0.157458	-422.534487	-422.526267	-422.525323	-422.567819	30.662
+C	-2.1991793954	 4.9546273499	-0.4719384041	-0.179318
+O	-1.1750612119	 5.2696490346	 0.4772236491	-0.241171
+C	-0.8535508767	 4.3905490454	-0.6011131534	 0.067702
+C	-0.5366952573	 2.9680669848	-0.2061276647	 0.10472
+C	 0.8209490517	 2.8463784555	 0.4974348999	-0.259226
+C	 1.2366101701	 1.4014618462	 0.5725371099	-0.074062
+C	 0.658028318	 0.4722813123	-0.1836644819	-0.06354
+C	-0.4095075849	 0.8137014633	-1.1852029175	-0.113672
+O	-0.5506195063	 2.2050657329	-1.4056960654	-0.271116
+H	-3.0083979093	 4.3306482413	-0.0953423299	 0.114761
+H	-2.5049714724	 5.7763570803	-1.1173352576	 0.117276
+H	-0.1817668241	 4.8111025691	-1.3511308488	 0.098469
+H	-1.3228661287	 2.6096775093	 0.4792536022	 0.068791
+H	 1.5758598531	 3.4359487632	-0.042376095	 0.111171
+H	 0.7469012002	 3.2854533732	 1.499039019	 0.121564
+H	 2.0229795965	 1.1340444122	 1.273085889	 0.091261
+H	 0.9333008321	-0.5761280428	-0.1059346118	 0.091742
+H	-0.1717643405	 0.3774445366	-2.1630129665	 0.117832
+H	-1.3745199241	 0.3740843226	-0.8703726925	 0.096815
+19
+0 475	3.572949	1.1394716	0.9724529	2.5518	77.49	-0.24962	0.01246	0.26208000000000004	1240.0865	0.15798	-422.532791	-422.524686	-422.523742	-422.565942	30.374
+C	-0.9007188596	 3.9621857687	 1.6282380237	-0.185523
+O	-2.0348847813	 3.1439246203	 1.331723753	-0.243717
+C	-0.7550639008	 2.7326185637	 0.842189549	 0.100314
+C	-0.5747800927	 2.7489177778	-0.6650548673	-0.076107
+C	-1.2176980783	 1.5118461078	-1.3102955083	-0.106158
+O	-0.4413233525	 0.349962385	-1.0629172864	-0.250923
+C	 0.8259427892	 0.4018272214	-1.6879405417	-0.115957
+C	 1.5187185177	 1.725415303	-1.5172295844	-0.066618
+C	 0.8878789716	 2.7961445557	-1.040579044	-0.085349
+H	-0.8792113809	 4.928161653	 1.1237612005	 0.109716
+H	-0.5963846274	 3.9809840658	 2.673744993	 0.115685
+H	-0.3514895367	 1.8479125928	 1.3350016311	 0.104403
+H	-1.0856315943	 3.6440894371	-1.043852167	 0.081799
+H	-2.2058303225	 1.3195232979	-0.8839799827	 0.12394
+H	-1.3327151521	 1.6753912825	-2.3937800831	 0.089212
+H	 1.4203932764	-0.4023735616	-1.2381325217	 0.119109
+H	 0.7378970338	 0.1647486474	-2.7650887831	 0.099119
+H	 2.5630998348	 1.7702806158	-1.8152720674	 0.095159
+H	 1.4158903358	 3.7358348357	-0.9024284831	 0.091896
+19
+0 476	3.9990977	1.0789157	0.9023895	1.6035	78.17	-0.24772	0.01652	0.26424	1297.3166	0.157693	-422.534228	-422.526066	-422.525122	-422.567517	30.558
+C	 0.2924187314	 5.268733123	-1.1410754771	-0.177342
+O	-0.6378433359	 5.5276112348	-0.0837188652	-0.240015
+C	-0.2667828129	 4.174840489	-0.3433986527	 0.073363
+C	-1.3763469268	 3.2883361202	-0.8769990765	 0.065287
+O	-0.7401883628	 2.1515316502	-1.4364807799	-0.273701
+C	-1.6242544994	 1.0639678409	-1.6626090236	-0.072849
+C	-2.1971520373	 0.5319981391	-0.3481128937	-0.25516
+C	-2.7058914185	 1.6816670246	 0.4808122201	-0.079341
+C	-2.3539077447	 2.9370814299	 0.2158233118	-0.073422
+H	-0.0850067094	 5.4427079361	-2.1476680142	 0.116361
+H	 1.311006528	 5.60616038	-0.9581539494	 0.117489
+H	 0.352215704	 3.7101988862	 0.424287303	 0.099481
+H	-1.9045939245	 3.8579799999	-1.6645051684	 0.076094
+H	-2.4472623371	 1.3767373804	-2.3254451516	 0.092525
+H	-1.0387503779	 0.3033210648	-2.1862007407	 0.106585
+H	-3.0063582459	-0.1789167728	-0.5583367178	 0.104854
+H	-1.4297424623	-0.0291698988	 0.2024300078	 0.116496
+H	-3.387719979	 1.4621758709	 1.2981316367	 0.092978
+H	-2.7454621891	 3.776290102	 0.7834005417	 0.11032
+19
+0 477	3.4078105	1.5248495	1.3565827	1.3599	74.39	-0.22286	0.07733	0.30019	1003.9786	0.158654	-422.515551	-422.508264	-422.50732	-422.547349	28.747
+C	 0.3986874266	 0.8450055512	-1.2993597807	-0.086263
+C	 0.0161235497	-0.2571698031	-0.2926848418	-0.382622
+C	 0.9667820357	 0.4838661723	 0.6528819051	 0.52095
+O	 1.2348824559	 1.5066305053	-0.3215985938	-0.342547
+C	 0.6760024006	 0.9771827137	 2.1047416597	-0.153952
+C	 2.2253608292	 1.1422865895	 2.2285625601	-0.256845
+C	 2.1937976795	-0.1410935072	 1.3666020736	 0.033474
+O	 1.5828484428	-1.1243177338	 2.2152139025	-0.284926
+C	 0.4809667754	-0.3755397947	 2.7928161642	-0.081401
+H	 0.9786494016	 0.513473687	-2.1684584117	 0.10664
+H	-0.4157362833	 1.4945019765	-1.6387080454	 0.106405
+H	-1.0320475823	-0.2604434798	 0.0150711283	 0.111719
+H	 0.3173536182	-1.2742977255	-0.5475409987	 0.123367
+H	-0.0326705122	 1.7766458903	 2.3163738123	 0.075505
+H	 2.5945685618	 2.010559358	 1.6836590691	 0.128982
+H	 2.6754726566	 1.0656182122	 3.2208519712	 0.097656
+H	 3.0510809674	-0.5681340618	 0.8488654893	 0.080726
+H	-0.4698804044	-0.8626649259	 2.5455616488	 0.100295
+H	 0.5851369013	-0.3337459642	 3.8834553678	 0.102837
+19
+0 478	3.4057769	1.4966018	1.3423792	3.1838	73.9	-0.23856	0.08153	0.32009	1017.4929	0.158504	-422.517143	-422.509791	-422.508847	-422.549041	28.886
+C	-0.1008747399	 1.2616069375	-0.7714552767	-0.082544
+C	-0.0878520329	-0.1644240167	-0.1888888122	-0.387438
+C	 1.2691079443	 0.2518049672	 0.3986689127	 0.526551
+O	 1.1815840373	 1.5605562235	-0.1778808287	-0.328743
+C	 1.7333888821	 0.1897526375	 1.8717026368	-0.001457
+C	 1.667198697	-1.3138326492	 2.2027608529	-0.228538
+C	 2.3862746497	-1.8347886979	 0.9110434171	-0.228539
+C	 2.6327850399	-0.4618437411	 0.2560582938	-0.001455
+O	 3.1028853131	 0.341893768	 1.3831594051	-0.305026
+H	-0.0688425233	 1.3314419228	-1.8648628166	 0.106599
+H	-0.8878366509	 1.9247960087	-0.3942168821	 0.106602
+H	-0.8659363206	-0.382648345	 0.5454476665	 0.115549
+H	-0.0498336686	-0.9741199591	-0.9204836547	 0.115547
+H	 1.435711166	 0.9287578677	 2.6152042458	 0.083739
+H	 2.2199023193	-1.542858184	 3.1156945114	 0.113301
+H	 0.6448387868	-1.6868088981	 2.3121067883	 0.099406
+H	 3.3267681092	-2.3447417294	 1.1273843278	 0.113301
+H	 1.7631717929	-2.4970241545	 0.3032012712	 0.099406
+H	 3.2478920284	-0.3841312979	-0.6401223284	 0.08374
+19
+0 479	3.4106784	1.4637086	1.3064061	2.0069	74.	-0.24094	0.07221	0.31315	1020.059	0.158692	-422.509439	-422.502139	-422.501195	-422.541352	28.507
+C	-0.1982472	 1.2080208905	 0.7245896754	-0.170428
+O	-0.1150149859	-0.1897742003	 0.3667887611	-0.27696
+C	 1.1333651777	 0.0055438635	-0.3268534536	-0.165507
+C	 1.1496422702	 1.495014525	 0.0566356943	 0.354319
+C	 1.4599197072	 2.6179033659	-0.9773917466	-0.15422
+C	 2.9633579473	 2.355237704	-0.6430515348	-0.249768
+C	 2.3568521168	 2.1486870236	 0.7651503619	 0.036259
+O	 1.8591255882	 3.4493029548	 1.1187112835	-0.282791
+C	 1.1997644179	 3.8531357966	-0.1071761389	-0.08371
+H	-1.0706462446	 1.6963790252	 0.2684100643	 0.097887
+H	-0.2333988355	 1.3597708724	 1.8102070201	 0.112408
+H	 1.9375589263	-0.6146725899	 0.0909373684	 0.102218
+H	 1.0451220595	-0.2068023579	-1.4012454737	 0.099565
+H	 1.0612054358	 2.6098270183	-1.9915460579	 0.076288
+H	 3.3458850713	 1.4380199406	-1.0940624562	 0.109838
+H	 3.6727950889	 3.1771020085	-0.7641098927	 0.102759
+H	 2.8810593715	 1.7086526521	 1.6124483432	 0.084062
+H	 0.1364174591	 4.0400466108	 0.0836730928	 0.104039
+H	 1.6578335282	 4.7688420963	-0.4981146106	 0.103743
+19
+0 480	3.405689	1.436924	1.2927543	1.6717	73.62	-0.24868	0.06671	0.31539	1033.1304	0.158714	-422.51325	-422.505891	-422.504946	-422.545265	28.615
+C	-0.3792251998	 1.2075559385	-0.0126358653	-0.154966
+O	-0.068295605	-0.2039750775	 0.0058757581	-0.277048
+C	 1.3506438526	 0.050447336	-0.0134506803	-0.172598
+C	 1.1133696172	 1.5658899171	-0.0342857677	 0.358135
+C	 1.6838210307	 2.631375891	 0.9197763243	 0.000212
+C	 3.2089961355	 2.5442333919	 0.7104623034	-0.227246
+C	 3.1921213133	 2.5201098284	-0.8538708763	-0.227245
+C	 1.6627569055	 2.6012574627	-1.0328306347	 0.000205
+O	 1.2916601501	 3.6390464587	-0.0681860161	-0.308702
+H	-0.9533954776	 1.4912880248	-0.9035756892	 0.105253
+H	-0.9341664948	 1.5189351559	 0.881248487	 0.105258
+H	 1.8543413954	-0.3435665297	 0.879863557	 0.101579
+H	 1.8349697683	-0.3711151876	-0.9049022244	 0.101576
+H	 1.2878367166	 2.8063713132	 1.9208228687	 0.082156
+H	 3.7163573669	 3.421425386	 1.1161661696	 0.112886
+H	 3.6504984888	 1.6486264537	 1.1565324354	 0.102753
+H	 3.6903230239	 3.3842070112	-1.2972758135	 0.112887
+H	 3.624199	 1.6110285666	-1.2815333816	 0.102752
+H	 1.2452176723	 2.7454320791	-2.0300247744	 0.082154
+19
+0 481	3.8303792	1.2340575	1.2140248	1.0835	75.36	-0.23963	0.08358	0.32321	1089.9988	0.157923	-422.51139	-422.503602	-422.502658	-422.544221	29.453
+C	 1.0103406511	 3.2484277495	 1.2763779595	-0.203905
+C	 1.6334031054	 1.8554637952	 1.6038302336	-0.288227
+C	 0.7926518719	 1.2657764406	 0.4707990418	 0.322527
+C	-0.0038510183	 2.5671489404	 0.3068751252	-0.318337
+C	 0.3147795412	-0.1534620177	 0.3108217656	-0.046852
+O	 1.0091201521	-1.1112305681	 1.0854063199	-0.253089
+C	 2.1645922909	-1.432499782	 0.3318443851	 0.027015
+O	 2.5321474952	-0.2674127176	-0.3874479464	-0.251624
+C	 1.3182195692	 0.403228351	-0.6525241329	-0.033736
+H	 0.5757340414	 3.7913190749	 2.1179508782	 0.10155
+H	 1.7066931068	 3.9128268083	 0.7600667275	 0.10716
+H	 2.7146639022	 1.7611656071	 1.4843954112	 0.112763
+H	 1.3553525234	 1.4690781039	 2.5879828963	 0.109629
+H	-0.0626166816	 2.9775895	-0.7053307949	 0.101164
+H	-1.0181420816	 2.5043976695	 0.7134645195	 0.104408
+H	-0.7128959492	-0.4046961243	 0.0657619918	 0.098624
+H	 2.9745390953	-1.703418287	 1.0143274373	 0.121478
+H	 1.9500055561	-2.2601829437	-0.3662366784	 0.089417
+H	 1.1236422987	 0.6241856401	-1.6978261397	 0.100035
+19
+0 482	3.4759521	1.3343516	1.2988738	2.2029	75.08	-0.2122	0.06422	0.27642	1069.6706	0.15847	-422.513316	-422.505579	-422.504634	-422.545869	29.312
+C	 1.8606540186	 2.81197989	-0.311339876	-0.068879
+C	 2.5006557272	 1.8215887506	 0.6863733078	-0.370591
+C	 1.4110337466	 0.8752707243	 0.1956906812	 0.432753
+O	 0.8900105554	 1.8256506471	-0.7372831845	-0.308317
+C	 1.5032775007	-0.6009205546	-0.0787360131	-0.197904
+C	 0.5735991052	-1.1624496349	-1.1465943059	-0.240119
+C	-0.807421516	-0.5802122563	-0.768615381	-0.084293
+O	-0.7650685894	-0.2848472606	 0.6326523451	-0.260024
+C	 0.5666730525	-0.0692982691	 0.9999016241	 0.017746
+H	 1.3755872531	 3.6865680752	 0.1359802192	 0.110395
+H	 2.4976713781	 3.1356253119	-1.1415014399	 0.108226
+H	 3.5224170142	 1.5181456271	 0.4480036112	 0.114157
+H	 2.4418175098	 2.1047705684	 1.7393353421	 0.116432
+H	 2.4248134838	-1.1287899689	 0.1459712108	 0.086364
+H	 0.8574620945	-0.8748020259	-2.162726671	 0.112739
+H	 0.578376035	-2.2555161033	-1.0875999391	 0.106803
+H	-0.9961884872	 0.3395366084	-1.3315940763	 0.125023
+H	-1.6327070778	-1.27807905	-0.934971921	 0.102952
+H	 0.7251977058	-0.1869478293	 2.0675092261	 0.096535
+19
+0 483	3.5302278	1.3257416	1.2855156	3.0111	75.54	-0.22743	0.06678	0.29420999999999997	1095.5833	0.158332	-422.517056	-422.509301	-422.508357	-422.549631	29.209
+C	 0.1072425586	 2.75586083	-2.1962906545	-0.067923
+C	-0.8015128921	 1.7953867707	-1.399277748	-0.371223
+C	 0.5185878879	 1.2475436255	-0.8662088948	 0.482781
+O	 1.3016590933	 2.1656982787	-1.6318662636	-0.302199
+C	 0.9009151679	-0.1769185278	-0.6256289826	-0.176756
+C	 2.3710449718	-0.5266420692	-0.7841744547	-0.081684
+O	 3.1022331384	 0.4622934636	-0.0723360409	-0.249325
+C	 2.2961597051	 0.9984819761	 0.9679154551	-0.081684
+C	 0.8516028328	 0.8279154252	 0.5288207579	-0.176715
+H	 0.0777939557	 2.6453740196	-3.2859985584	 0.107243
+H	 0.0203926558	 3.8173833055	-1.9390522797	 0.107241
+H	-1.4469890168	 2.2676698297	-0.6558847756	 0.114308
+H	-1.3896498394	 1.0983171731	-1.9997031347	 0.11431
+H	 0.161079186	-0.9615657246	-0.7477738817	 0.087932
+H	 2.5573744788	-1.5356961736	-0.3808554029	 0.088212
+H	 2.7204440989	-0.4991502286	-1.8217365503	 0.114672
+H	 2.459086795	 0.467372856	 1.9202469301	 0.088216
+H	 2.5955372843	 2.0437032685	 1.099356823	 0.11467
+H	 0.0741856281	 0.8086225414	 1.2859192162	 0.087925
+19
+0 484	3.523941	1.2559352	1.2256851	2.2038	74.29	-0.2304	0.0665	0.2969	1096.5372	0.158464	-422.511178	-422.503457	-422.502513	-422.543672	29.155
+C	 1.1322454346	 2.6711645709	-0.3652346635	-0.150531
+O	 0.0244481166	 3.1310245266	-1.1692282634	-0.277943
+C	-0.5455948221	 1.8053159236	-1.2442709928	-0.145285
+C	 0.5761951855	 1.2512468705	-0.3721366548	 0.2479
+C	 1.3540303785	-0.0427317279	-0.4340759609	-0.170317
+C	 0.681031568	-1.2472657179	-1.0739320926	-0.247912
+C	-0.7102761093	-1.272003891	-0.3997512096	-0.087632
+O	-0.5875828373	-0.5852563862	 0.8490411034	-0.257201
+C	 0.5110909591	 0.2846099543	 0.7717178679	 0.038934
+H	 2.0950467776	 2.8083094271	-0.8766365089	 0.099506
+H	 1.1702160959	 3.1729833218	 0.6110979045	 0.103387
+H	-1.5511587065	 1.7642344291	-0.8070160161	 0.113316
+H	-0.5839751455	 1.4332577134	-2.2773422465	 0.099808
+H	 2.4378599297	 0.0021676729	-0.4073548652	 0.091601
+H	 0.5961331666	-1.1851116995	-2.1630434506	 0.109626
+H	 1.2539764492	-2.1486421208	-0.8339734976	 0.113517
+H	-1.4545905403	-0.769357491	-1.0321784394	 0.10441
+H	-1.0748720539	-2.2817377387	-0.1921158788	 0.112617
+H	 0.9041019337	 0.5417292129	 1.7496669948	 0.102199
+19
+0 485	3.5359702	1.276614	1.2348551	2.4393	74.71	-0.24183	0.07332	0.31515	1085.7031	0.158668	-422.516797	-422.509182	-422.508238	-422.549099	28.958
+C	 0.0903676091	-1.1846269413	 1.4057590547	-0.13587
+O	-1.3573082327	-1.2131339286	 1.3989574459	-0.278652
+C	-1.4334481774	-0.1375126506	 0.4409760177	-0.156384
+C	 0.0879891474	-0.0441214965	 0.3917948242	 0.310359
+C	 0.932670632	 1.1915934072	 0.3280105154	-0.14978
+C	 2.3018345662	 1.0920038389	 0.9776959886	-0.097597
+O	 2.8297329198	-0.1646930375	 0.5600157753	-0.253864
+C	 2.3402876723	-0.4435233194	-0.7496086483	-0.097597
+C	 0.957928313	 0.1829380508	-0.8066171457	-0.149787
+H	 0.4909070105	-0.9484140883	 2.3992514268	 0.104994
+H	 0.5205273576	-2.1344574154	 1.0651093441	 0.104991
+H	-1.9263971817	-0.4483876206	-0.4903301587	 0.099698
+H	-1.9561395202	 0.7397781977	 0.8461009646	 0.099699
+H	 0.4626639839	 2.1637049132	 0.224903024	 0.091568
+H	 2.9394048729	 1.9269407624	 0.6446931128	 0.09578
+H	 2.287158658	 1.0855947874	 2.0725137028	 0.112547
+H	 2.9876779046	-0.000795067	-1.5238076125	 0.095779
+H	 2.3527001641	-1.5315780784	-0.8715294529	 0.112547
+H	 0.5071043403	 0.3890365359	-1.7714070488	 0.091569
+19
+0 486	3.6613583	1.4073418	1.3536349	0.7494	73.98	-0.23036	0.07706	0.30742	1021.0028	0.158778	-422.521393	-422.514154	-422.51321	-422.553222	28.627
+C	 0.0112610618	 1.2932186398	-0.7739808271	-0.075344
+C	-0.1094536517	-0.127932324	-0.1915443642	-0.363933
+C	 1.2610108261	 0.1665001747	 0.4460418192	 0.486208
+C	 1.4912544764	 0.0415699475	 1.9794152707	-0.302901
+C	 2.7769606816	-0.8030461004	 1.9133602335	 0.076247
+C	 3.6325983688	-0.0920668787	 0.8405246204	-0.238357
+C	 2.4810570559	-0.6623507905	-0.0087255324	 0.016315
+O	 2.4090126229	-1.8034033051	 0.9013192292	-0.304978
+O	 1.2543511016	 1.5177529331	-0.0718198904	-0.330154
+H	 0.1427052739	 1.3499165481	-1.8614507478	 0.102766
+H	-0.7614403343	 2.0094176887	-0.4724532302	 0.104899
+H	-0.922455037	-0.2628319466	 0.5238394879	 0.112173
+H	-0.1257495087	-0.9501932926	-0.909456312	 0.115022
+H	 1.6233624274	 1.0237620429	 2.4405287283	 0.11324
+H	 0.6829576926	-0.4916248854	 2.4852242365	 0.107871
+H	 3.1881838804	-1.2256275286	 2.8295261886	 0.080913
+H	 3.7642184708	 0.9907021085	 0.8910055888	 0.11469
+H	 4.5725382052	-0.6115182901	 0.6524348724	 0.110101
+H	 2.5672517763	-0.9229416914	-1.0638758514	 0.075222
+19
+0 487	3.6772478	1.3456556	1.3038602	2.2368	73.62	-0.24262	0.06669	0.30931	1037.9363	0.158807	-422.514193	-422.506954	-422.50601	-422.54609	28.409
+C	-1.4399574315	 3.4254521717	 0.7352812008	-0.242071
+C	-2.2776991326	 2.664260812	-0.3154202651	 0.083804
+C	-1.2165871233	 1.9633438078	-1.1892562471	-0.324669
+C	-0.352072154	 1.3900332573	-0.0308493026	 0.341195
+C	 1.1777433398	 1.574803597	 0.0293158077	-0.145931
+O	 1.3812545514	 0.1667225471	 0.2555640657	-0.274952
+C	-0.0192102887	-0.1118441526	 0.0388058452	-0.140746
+C	-1.1870098273	 1.9559003207	 1.1342743215	 0.011853
+O	-2.54793593	 1.6433001887	 0.7010734919	-0.302109
+H	-0.6028667877	 4.0474852022	 0.4061402872	 0.097287
+H	-2.064099726	 3.9429263565	 1.4639333213	 0.115104
+H	-3.1712151959	 3.0727315573	-0.7862960388	 0.083342
+H	-1.6585992334	 1.1774749002	-1.8067879623	 0.112584
+H	-0.6680319535	 2.6524562218	-1.8386009778	 0.102129
+H	 1.6406746024	 1.9128126982	-0.9084882797	 0.095555
+H	 1.5641553139	 2.1877658377	 0.8548210096	 0.098881
+H	-0.1852943605	-0.6639515532	-0.896323925	 0.095919
+H	-0.4678924484	-0.6725199363	 0.8680230348	 0.107596
+H	-0.9480756247	 1.630955106	 2.1475348529	 0.08523
+19
+0 488	3.723968	1.3900441	1.3334686	2.6494	74.24	-0.24571	0.07329	0.319	1023.0531	0.158664	-422.516537	-422.50939	-422.508446	-422.548151	28.473
+C	-0.3473576337	 1.4407202328	-0.0548158883	-0.147484
+O	-0.346792253	 0.005680863	-0.2043996349	-0.275022
+C	 1.0798056795	-0.0607340109	 0.0008325468	-0.147483
+C	 1.19317433	 1.4744978591	-0.0682217078	 0.40309
+O	 1.838864177	 2.1290151847	 1.032044477	-0.322961
+C	 2.7751993642	 2.9940470105	 0.3581368964	 0.108549
+C	 1.9220783684	 3.6165846406	-0.7736024262	-0.245388
+C	 1.9242815961	 2.1258498545	-1.2442302225	-0.122088
+C	 3.3945048943	 2.0675070227	-0.7161939667	-0.245388
+H	-0.8662142947	 1.9456910755	-0.8791622987	 0.09876
+H	-0.775572926	 1.7613916098	 0.9033421302	 0.106826
+H	 1.3423876432	-0.4668173944	 0.985927815	 0.106826
+H	 1.5875925977	-0.6358513087	-0.7834805923	 0.09876
+H	 3.3442620391	 3.5621296593	 1.0914888387	 0.084157
+H	 0.9720441766	 4.0747576725	-0.4882079191	 0.104026
+H	 2.4874649239	 4.2696812621	-1.4402126572	 0.103976
+H	 1.6351966625	 1.8139110353	-2.2468812446	 0.082843
+H	 3.7923837638	 1.1075998504	-0.3782467643	 0.104026
+H	 4.099999551	 2.5732018013	-1.3773417313	 0.103975
+19
+0 489	3.6468836	1.3796891	1.2344802	1.0458	74.93	-0.24263	0.05844	0.30107	1069.9661	0.157667	-422.502746	-422.495203	-422.494259	-422.53484	29.374
+C	 1.1496430044	 1.593627608	-0.2800504936	-0.215825
+C	-0.3225630445	 1.4770481282	 0.2108260303	-0.286814
+C	-0.156930035	-0.0495671727	 0.1739359254	 0.441691
+C	 1.3762861882	 0.1219529612	 0.1703834895	-0.294255
+O	-0.7706919874	-0.8864307873	 1.1863805204	-0.338207
+C	-1.3747716367	-1.7389690179	 0.2012939555	 0.05452
+C	-2.7554435051	-1.2507544031	-0.2661565263	-0.097091
+O	-2.1490187702	-0.4120571366	-1.2868661023	-0.289527
+C	-0.8295407395	-0.8710302808	-0.9458871364	-0.022206
+H	 1.2140756112	 1.7085120583	-1.3649589668	 0.108164
+H	 1.7732463279	 2.3567542742	 0.1881033959	 0.104455
+H	-0.4358991329	 1.8220607756	 1.2424356399	 0.112561
+H	-1.1233332865	 1.8947508784	-0.4023990658	 0.116676
+H	 1.7615618288	 0.0621078848	 1.1920688541	 0.114858
+H	 1.9629588894	-0.5422328067	-0.4707520367	 0.096196
+H	-1.2042730755	-2.8010140169	 0.3825888237	 0.090243
+H	-3.3940498755	-2.0192795971	-0.7192500775	 0.104389
+H	-3.320314105	-0.6779075269	 0.476439177	 0.115642
+H	-0.2419348963	-1.1801593126	-1.8127863763	 0.08453
+19
+0 490	3.796301	1.3222605	1.1993381	2.9149	75.11	-0.22935	0.05355	0.2829	1091.3649	0.157647	-422.495948	-422.488208	-422.487264	-422.528831	29.251
+C	 1.1953272897	 0.2571501724	-0.8362996371	-0.069987
+C	-0.1243573279	-0.1375547636	-0.145745168	-0.35845
+C	-0.0536601277	 1.2813345313	 0.4601602349	 0.470202
+C	-0.2222379269	 1.5133447308	 1.9864194547	-0.330633
+C	-1.5045645454	 2.3523468965	 1.7200250092	-0.08225
+C	-1.2233625569	 3.849358926	 1.5356627032	-0.072417
+O	-0.8014883036	 3.6458183183	 0.1657500785	-0.283737
+C	-1.2153636819	 2.2682688018	 0.1892929897	 0.034577
+O	 1.2163933285	 1.5286225302	-0.1522413854	-0.303488
+H	 2.072825883	-0.3522498673	-0.5924220629	 0.105024
+H	 1.1387934623	 0.3807116471	-1.9243809022	 0.106292
+H	-0.9749677483	-0.3325030697	-0.8025097364	 0.111306
+H	-0.0380102227	-0.9457264749	 0.5831641166	 0.111025
+H	-0.3701508544	 0.5973992015	 2.5643740391	 0.101218
+H	 0.5993018168	 2.0812858146	 2.4315990803	 0.115927
+H	-2.4322582585	 2.042114849	 2.1965622952	 0.077476
+H	-2.1126347802	 4.491906813	 1.5832634042	 0.098316
+H	-0.4304246513	 4.284078302	 2.156613637	 0.10424
+H	-1.9326107745	 2.031552671	-0.6042460806	 0.065358
+19
+0 491	3.7589213	1.318643	1.1971745	2.984	74.59	-0.23908	0.06012	0.29919999999999997	1086.6703	0.157597	-422.499302	-422.491577	-422.490633	-422.532095	29.341
+C	 1.2747826351	 0.3533347949	-0.7420627262	-0.071349
+C	-0.1087086642	-0.14727595	-0.288030304	-0.362227
+C	-0.2612329378	 1.2612635436	 0.3242474431	 0.452488
+C	-1.5028492827	 2.1518731259	 0.0331723498	-0.313868
+C	-1.7392920877	 2.3062641845	 1.5538471522	 0.116365
+O	-1.1114037703	 3.4836436393	 2.0945006733	-0.292429
+C	 0.095995025	 2.7469899017	 2.4136631704	-0.084299
+C	-0.4820213661	 1.4379281173	 1.8491359833	-0.159313
+O	 1.0114501087	 1.6703713162	-0.212770146	-0.31017
+H	 2.1331137729	-0.1202813108	-0.2503227835	 0.103947
+H	 1.4531753624	 0.3771318474	-1.8228962245	 0.106873
+H	-0.8069092121	-0.363396496	-1.0991913796	 0.113029
+H	-0.1138122448	-0.9761995201	 0.4225338857	 0.110808
+H	-1.2755017069	 3.0949134181	-0.4685741257	 0.123132
+H	-2.2962264045	 1.6284451874	-0.5092701529	 0.099215
+H	-2.7420511465	 2.1399695469	 1.9540431059	 0.075111
+H	 0.9787885978	 3.1355495826	 1.8949025482	 0.122868
+H	 0.2775262707	 2.736193193	 3.4948440182	 0.099088
+H	-0.4539571591	 0.548257968	 2.4784515623	 0.070731
+19
+0 492	3.8474706	1.2787896	1.1700624	2.5331	74.37	-0.24522	0.06434	0.30956	1104.0723	0.157496	-422.497988	-422.490264	-422.48932	-422.530647	29.396
+C	-1.7046771916	 3.9523351336	-0.2896293255	-0.23171
+C	-0.82545524	 3.4382606546	-1.4743025056	-0.239648
+C	-1.174078551	 1.9681383152	-1.101994251	-0.164418
+C	-1.9921079799	 2.4907296043	 0.1118645248	 0.116628
+O	-1.0075330749	 1.9612180601	 1.0303482202	-0.32662
+C	-0.2672237073	 1.3400771463	-0.0332037731	 0.375134
+C	 1.2688704865	 1.421775548	-0.02131496	-0.133421
+O	 1.3822136062	-0.0120108272	-0.1333730196	-0.274989
+C	-0.0382861646	-0.182952115	 0.0485646156	-0.135213
+H	-1.2001333029	 4.5334956211	 0.4849405547	 0.113293
+H	-2.5953263181	 4.4945803365	-0.6184847879	 0.104093
+H	-1.2007708016	 3.7339532152	-2.4559106692	 0.108515
+H	 0.2371284132	 3.6907651565	-1.4298053823	 0.106921
+H	-1.5554422637	 1.3134467807	-1.8847083253	 0.079616
+H	-3.008547114	 2.1939074599	 0.3813606104	 0.078792
+H	 1.7512585731	 1.9424593045	-0.8573095366	 0.103266
+H	 1.6680492037	 1.8016880738	 0.9282134911	 0.110335
+H	-0.4870347175	-0.8018641102	-0.7379742337	 0.101021
+H	-0.2894670856	-0.5951766378	 1.0346122629	 0.108406
+19
+0 493	3.6797299	1.3057879	1.168571	2.9739	74.33	-0.24181	0.05924	0.30105	1095.9793	0.157883	-422.491148	-422.483459	-422.482514	-422.523855	29.03
+C	-3.239161846	 1.7261026689	 0.2151821848	-0.078562
+O	-2.3814643768	 1.1343122037	 1.2233133183	-0.288149
+C	-1.2876033141	 2.0019508592	 0.865731955	 0.04068
+C	-2.1071356142	 2.6344905728	-0.293758666	-0.074379
+C	-1.1487727664	 1.9629708944	-1.3140110492	-0.339251
+C	-0.3192751455	 1.3501397152	-0.1512690478	 0.296572
+C	 1.200044486	 1.5663979615	-0.0184694657	-0.135872
+O	 1.4194788668	 0.1738836107	 0.273200065	-0.274863
+C	 0.0352202388	-0.1373282273	-0.0049258475	-0.129819
+H	-3.6281997515	 0.982700371	-0.4922774794	 0.10193
+H	-4.0816664361	 2.2544188575	 0.6783963364	 0.105222
+H	-0.8649527215	 2.5233267124	 1.7302089856	 0.074661
+H	-2.3149593561	 3.697584958	-0.4018222421	 0.080878
+H	-1.6164353874	 1.2466704615	-1.9969882961	 0.103916
+H	-0.5754314232	 2.6785642151	-1.9105254657	 0.107329
+H	 1.6962932193	 1.8762913792	-0.9497142352	 0.093175
+H	 1.5338164167	 2.2210214623	 0.7976302976	 0.101062
+H	-0.0728865827	-0.7273342402	-0.9257487491	 0.09425
+H	-0.455475266	-0.661178856	 0.8219205212	 0.121218
+19
+0 494	3.7753804	1.2485527	1.1400482	1.241	74.11	-0.24554	0.06228	0.30782	1111.9933	0.157652	-422.490665	-422.48291	-422.481966	-422.523703	29.122
+C	-2.4507345255	 1.1960121671	-1.4426895551	-0.0855
+O	-3.1923940527	 1.7748501668	-0.3436731485	-0.291908
+C	-2.0747875467	 2.6050515403	 0.0332324606	 0.125421
+C	-1.2053792142	 1.9686706215	 1.139098634	-0.325761
+C	-0.3089183756	 1.3104108593	 0.0496918809	 0.301423
+C	 1.2182938425	 1.5313736978	 0.0576081591	-0.135559
+O	 1.4774769524	 0.1175685409	-0.0241978888	-0.273495
+C	 0.0688371736	-0.1840548539	 0.0338087603	-0.133227
+C	-1.1739509532	 1.9649909962	-1.0614616938	-0.165531
+H	-2.4129834814	 0.1004992752	-1.3921413323	 0.10372
+H	-2.8792112207	 1.4897079405	-2.4093377608	 0.104362
+H	-2.3439926488	 3.6615659126	 0.1076582159	 0.078289
+H	-0.6637658698	 2.6931644125	 1.755931986	 0.103264
+H	-1.7557053672	 1.2854151442	 1.7910248493	 0.11456
+H	 1.6300775465	 2.0776574553	-0.8016205404	 0.099987
+H	 1.6163198661	 1.9698896707	 0.9833339913	 0.09826
+H	-0.2636980516	-0.757147895	-0.8413895959	 0.100655
+H	-0.1966209309	-0.7394433979	 0.9433637917	 0.102608
+H	-0.6517564526	 2.509949236	-1.8479712136	 0.078432
+19
+0 495	3.316276	1.3611923	1.2138297	2.223	75.83	-0.2451	0.01526	0.26036000000000004	1082.11	0.157907	-422.537835	-422.529941	-422.528997	-422.570498	30.032
+C	-0.3747890656	 1.3587506059	-0.1177437586	-0.119754
+O	-0.1515787073	-0.0605764344	-0.2379261438	-0.274935
+C	 1.2660148279	 0.0968303519	-0.0226672388	-0.127453
+C	 1.1555150777	 1.6292133072	-0.0929625442	 0.347599
+C	 1.7327620359	 2.2917815954	-1.3420777311	-0.306714
+C	 1.6025574538	 3.7888388332	-1.2430593924	-0.072787
+C	 1.392638444	 4.3849495732	-0.0723375736	-0.064122
+C	 1.3072896297	 3.6099240346	 1.211130281	-0.130743
+O	 1.6613610799	 2.2424504364	 1.0753635551	-0.298497
+H	-0.9433229187	 1.7619975395	-0.9634250632	 0.101145
+H	-0.878949288	 1.6180400577	 0.8225253796	 0.097924
+H	 1.5839000686	-0.2594022047	 0.9646901167	 0.107755
+H	 1.8596671084	-0.3914218631	-0.8045156288	 0.098535
+H	 2.788536526	 2.0046518303	-1.4495022048	 0.116438
+H	 1.2199781531	 1.9127023212	-2.2341471976	 0.114187
+H	 1.6794044211	 4.3713957062	-2.1567414213	 0.093614
+H	 1.2701988795	 5.4619904855	 0.0037691874	 0.094474
+H	 1.9976112329	 4.0235519117	 1.9562001009	 0.121464
+H	 0.2931656113	 3.7057705024	 1.6396212375	 0.10187
+19
+0 496	3.5753761	1.3013424	1.1518275	2.5493	78.02	-0.23195	0.00501	0.23695999999999998	1122.0886	0.158077	-422.537969	-422.530058	-422.529114	-422.570728	30.052
+C	-0.0403085591	 1.3183064272	-0.7450799316	-0.067995
+C	-0.0853682255	-0.1139979943	-0.1841841248	-0.348506
+C	 1.3310386523	 0.196427528	 0.3704588034	 0.402701
+C	 1.4089389579	 0.2296428267	 1.896470608	-0.134915
+O	 2.7207920768	 0.4603082151	 2.3663905674	-0.244642
+C	 3.6086229621	-0.5791602599	 2.01309752	-0.125034
+C	 3.4968487575	-0.979234565	 0.5689758073	-0.085787
+C	 2.4677495905	-0.6049749967	-0.187597608	-0.10244
+O	 1.2824861847	 1.5359710663	-0.2176456376	-0.321547
+H	-0.0640477613	 1.4024330455	-1.8383206109	 0.10298
+H	-0.7726887795	 2.0183737563	-0.3241804916	 0.101655
+H	-0.8441466259	-0.3010251626	 0.5792272064	 0.110307
+H	-0.122336171	-0.9130151671	-0.9267199884	 0.111145
+H	 0.7921709378	 1.0468018045	 2.2801171706	 0.112648
+H	 1.0137572003	-0.7243743965	 2.2907423677	 0.082534
+H	 4.6170983609	-0.2078557042	 2.2279375128	 0.122231
+H	 3.4505267336	-1.4643130429	 2.6599016681	 0.096701
+H	 4.3023119379	-1.587793574	 0.1653839326	 0.098703
+H	 2.4203351399	-0.8632802764	-1.2423568314	 0.08926
+19
+0 497	3.5829984	1.2625109	1.1157502	2.2474	77.24	-0.24623	0.00849	0.25472	1132.1502	0.158475	-422.533954	-422.526126	-422.525182	-422.56654	29.748
+C	-0.3615749213	 1.1840713881	-0.0812133242	-0.127798
+O	-0.0037254576	-0.1856905936	-0.340694462	-0.273304
+C	 1.3786516162	 0.0793016604	-0.029297467	-0.116867
+C	 1.1253848801	 1.612332236	 0.0121222284	 0.259939
+C	 1.6067372053	 2.3559523018	-1.2345587216	-0.156196
+O	 2.9863866767	 2.6618259462	-1.146105354	-0.251769
+C	 3.2690443588	 3.5786139	-0.1062905656	-0.125506
+C	 2.550822251	 3.2608863661	 1.1760433374	-0.084851
+C	 1.5805029931	 2.3507876898	 1.2327504607	-0.145205
+H	-0.9463317804	 1.623263626	-0.8996772886	 0.10213
+H	-0.9229692184	 1.2947239589	 0.8573120502	 0.094957
+H	 1.671287111	-0.3560481953	 0.9353618432	 0.096543
+H	 2.0634078763	-0.2754001899	-0.8082091473	 0.11221
+H	 1.4795957854	 1.7433197482	-2.1320950763	 0.115563
+H	 1.0117065513	 3.2766022028	-1.3617102987	 0.08824
+H	 4.3545228098	 3.5440919525	 0.0442508881	 0.120896
+H	 3.0259076416	 4.6102948113	-0.4233737504	 0.100439
+H	 2.8614285944	 3.8125334043	 2.0594319513	 0.098075
+H	 1.0933048467	 2.1143751163	 2.1760598462	 0.092503
+19
+0 498	3.6343746	1.2732529	1.1249827	2.5518	77.46	-0.24491	0.01202	0.25693	1131.5888	0.15819	-422.537806	-422.529909	-422.528965	-422.570676	29.997
+C	-0.4259663737	 1.1092888444	-0.0504791499	-0.118401
+O	 0.040096318	-0.2432337925	-0.2172670741	-0.274121
+C	 1.4086475964	 0.1536119361	-0.0066182639	-0.120604
+C	 1.0390687302	 1.6554016545	-0.0680651125	 0.318102
+O	 1.4627356693	 2.3288903628	 1.094011786	-0.301224
+C	 1.2985560257	 3.7404594903	 1.0385061209	-0.096215
+C	 2.1616628273	 4.3518126844	-0.0650118708	-0.259835
+C	 1.9631909682	 3.5778428813	-1.3405481851	-0.101907
+C	 1.4274790268	 2.3594071854	-1.3322593387	-0.08777
+H	-1.0926545626	 1.4173431135	-0.863233129	 0.10023
+H	-0.9160227337	 1.2687768384	 0.9190464404	 0.101546
+H	 1.7818406887	-0.1312473907	 0.9847694921	 0.10927
+H	 2.078101588	-0.2299687556	-0.7839867486	 0.10346
+H	 0.2407719216	 3.9954382047	 0.8665197478	 0.094436
+H	 1.5786159473	 4.1137184361	 2.026912952	 0.108746
+H	 1.8915132081	 5.4056753565	-0.2068490533	 0.106668
+H	 3.2199304062	 4.3403547213	 0.2296807552	 0.119322
+H	 2.2592739148	 4.0419241336	-2.2773273099	 0.095191
+H	 1.2480695333	 1.8126432355	-2.2542173484	 0.103105
+19
+0 499	2.8768319	1.9315436	1.4658163	1.0412	74.17	-0.22447	0.07861	0.30308	936.4351	0.159398	-422.519402	-422.512616	-422.511672	-422.550068	28.406
+C	 0.1492496404	-0.221060664	 1.1073908051	-0.287909
+C	-0.8100360244	 0.7030512156	 0.2601624482	-0.354959
+C	 0.4464847776	 1.1007598865	-0.5221744658	 0.421519
+C	 0.9559885385	 0.3502928202	-1.7655138244	-0.285788
+C	 1.9360487294	 1.531370544	-1.7341335784	 0.044902
+C	 3.0544968193	 1.2130828686	-0.7164905086	-0.091047
+O	 2.5939536511	 0.3243029773	 0.3160165417	-0.279612
+C	 1.2924719547	 0.7340381206	 0.6811977743	 0.125031
+O	 0.8920330999	 2.3558562104	-1.1040120466	-0.348148
+H	-0.0551904456	-0.3227878685	 2.1733625088	 0.109672
+H	 0.2502346316	-1.210787737	 0.6572755653	 0.119212
+H	-1.6239477541	 0.2313064941	-0.2928679199	 0.108828
+H	-1.2059526193	 1.5256835951	 0.8611260901	 0.12264
+H	 1.3468558543	-0.6615460143	-1.6532360481	 0.113999
+H	 0.2486834711	 0.4245795531	-2.5926615275	 0.106937
+H	 2.3192310606	 1.9841252615	-2.65105633	 0.081814
+H	 3.8870677691	 0.7034380478	-1.2114126628	 0.112015
+H	 3.4218987123	 2.1543158724	-0.2806351549	 0.105399
+H	 1.3349973533	 1.5901886864	 1.3721611435	 0.075496
+19
+0 500	2.849459	1.929762	1.4591199	1.5505	74.09	-0.24475	0.07204	0.31679	935.0116	0.159862	-422.517383	-422.510686	-422.509742	-422.548004	27.993
+C	-0.2418616674	 1.3600833743	-0.0754785381	-0.163516
+O	-0.0214260162	 0.0116558463	-0.5990307124	-0.352152
+C	 1.3144681301	 0.036156247	-0.080685689	 0.450269
+C	 2.6672191031	-0.4510110258	-0.6092631486	-0.314687
+C	 3.1101742641	-0.1157185359	 0.866068808	-0.049786
+C	 1.6798457719	-0.5275580706	 1.3077854495	-0.288726
+C	 3.253676947	 1.4074590552	 1.1265937453	-0.087737
+O	 1.9862206017	 2.0854238941	 1.0711809429	-0.261374
+C	 1.2832820529	 1.5599209594	-0.0231343435	 0.063206
+H	-0.8192378925	 1.9771334165	-0.7680606078	 0.112609
+H	-0.7239378359	 1.3376261889	 0.9090300803	 0.112669
+H	 2.7317301131	-1.5260972604	-0.798064013	 0.106179
+H	 3.1148404659	 0.1078398937	-1.4363700039	 0.095254
+H	 3.9676235896	-0.6606818655	 1.2624251035	 0.078993
+H	 1.5578241937	-1.6122110353	 1.3476214679	 0.102191
+H	 1.254555939	-0.0548325317	 2.194449008	 0.10825
+H	 3.6411519327	 1.5862816564	 2.133568188	 0.115115
+H	 3.9527796302	 1.856848121	 0.4034947538	 0.096406
+H	 1.639052937	 1.9976074125	-0.9685493609	 0.076837
+19
+0 501	2.9181064	1.8572271	1.4342525	0.8784	73.92	-0.24413	0.07933	0.32346	942.7775	0.15994	-422.512867	-422.506166	-422.505222	-422.543485	28.118
+C	-0.0635225897	 1.2902319417	 0.5599299641	-0.154472
+O	-0.127934774	-0.0214662981	-0.079014961	-0.349503
+C	 1.2667630878	 0.0715441337	-0.3810554204	 0.464708
+C	 2.1094083937	-0.2980321426	-1.6109029552	-0.319926
+C	 3.2931666453	-0.0672804734	-0.5937518075	 0.128461
+C	 2.3434676878	-0.5945808338	 0.5093713188	-0.324116
+O	 3.6067074253	 1.3152946518	-0.4026924852	-0.285123
+C	 2.6072967558	 2.0631681001	 0.3116801863	-0.119049
+C	 1.2494816904	 1.5919175464	-0.1918932768	-0.063412
+H	-0.9372359083	 1.9028286738	 0.3229015615	 0.112554
+H	 0.0375676855	 1.1956721206	 1.649319833	 0.103084
+H	 2.0596030993	-1.3505423344	-1.9038591071	 0.104564
+H	 2.0453762754	 0.3535575986	-2.4849027107	 0.101173
+H	 4.2369393225	-0.5757782885	-0.7877486214	 0.08877
+H	 2.2655047652	-1.6835209882	 0.4766156549	 0.107643
+H	 2.4893446497	-0.2660096779	 1.5396685448	 0.101761
+H	 2.7139003978	 1.9142720662	 1.3949026556	 0.098377
+H	 2.8146217682	 3.1146198317	 0.0986935518	 0.110697
+H	 1.0131333724	 2.0686498324	-1.1477925454	 0.093809
+19
+0 502	2.8835299	1.8965416	1.436949	2.5787	73.8	-0.24002	0.07089	0.31091	946.232	0.159616	-422.521998	-422.515153	-422.514209	-422.552832	28.238
+C	-0.1340927893	 1.0660263431	-0.6296627448	-0.197089
+O	 0.1799557102	-0.326027844	-0.351883696	-0.308774
+C	 1.3531304531	 0.0685289238	 0.407186968	 0.123262
+C	 2.7135288587	-0.5464252353	 0.1075827686	-0.235046
+C	 3.7646227621	 0.5904005227	 0.2986806947	-0.234869
+C	 3.201430626	 1.9219753079	-0.2607663435	 0.089378
+C	 2.0448693197	 2.5299906451	 0.5872050587	-0.331457
+C	 1.271126056	 1.4745965086	-0.1993539627	 0.381753
+O	 2.2225646705	 1.5833721965	-1.2892062931	-0.309603
+H	-0.3746689215	 1.2381610987	-1.6830472169	 0.121449
+H	-0.9435009022	 1.4419945956	 0.0101299461	 0.101953
+H	 1.1242864091	 0.0538157356	 1.4834166578	 0.0669
+H	 2.9459604722	-1.4109972978	 0.7344247477	 0.09571
+H	 2.72128001	-0.8667265369	-0.9356816513	 0.128549
+H	 4.0308767217	 0.7124408	 1.3552967194	 0.103319
+H	 4.6854407698	 0.325472943	-0.2294619114	 0.110712
+H	 3.9755078497	 2.5967079599	-0.6319744992	 0.08231
+H	 2.0737877969	 2.4379807158	 1.6756747488	 0.099345
+H	 1.8324673374	 3.5578281277	 0.2859089591	 0.112197
+19
+0 503	2.9150182	1.853641	1.4305002	1.6993	74.29	-0.24089	0.06771	0.3086	944.3359	0.159826	-422.508026	-422.501285	-422.500341	-422.538713	28.086
+C	 0.1994479584	 0.819183217	-1.1697594085	-0.21454
+O	 0.3589774984	-0.4065543766	-0.3906789548	-0.31015
+C	 0.4907212087	 0.3918376056	 0.8083429124	 0.129252
+C	 1.5535825871	 0.123756135	 1.8659741749	-0.12531
+O	 1.951597514	 1.4052258774	 2.3831776198	-0.287258
+C	 2.0929558642	 2.4349885906	 1.39955097	 0.137361
+C	 0.7092867376	 2.8948807312	 0.8087394702	-0.330021
+C	 0.8627459741	 1.6128983766	-0.0372557454	 0.285601
+C	 2.3935246039	 1.8355968461	 0.0067557068	-0.284561
+H	 0.7247117789	 0.765764044	-2.1282471127	 0.109572
+H	-0.8622121658	 1.0475765377	-1.3381898723	 0.101823
+H	-0.4965367989	 0.5167380954	 1.2799125982	 0.073522
+H	 1.1901308411	-0.4443011314	 2.7253439583	 0.111068
+H	 2.4034009483	-0.4176600784	 1.4314694031	 0.108062
+H	 2.7514363577	 3.1870288755	 1.8360088656	 0.082567
+H	-0.1398230745	 2.9485785767	 1.4944081429	 0.102391
+H	 0.8119141803	 3.8307841167	 0.2517382104	 0.099783
+H	 3.0713850457	 0.9843236814	-0.0732939015	 0.110133
+H	 2.6987153108	 2.6127830295	-0.6989857572	 0.100706
+19
+0 504	3.1534983	1.7728966	1.4994939	1.6515	73.83	-0.23845	0.08236	0.32081	935.5143	0.15955	-422.505055	-422.498319	-422.497375	-422.535608	28.396
+C	-0.1334579469	-0.5850940208	 0.7702680678	-0.277378
+C	-0.5619982358	 0.9100826677	 0.5193517409	-0.315636
+C	-0.1051139571	 0.6988690025	-0.9200925923	 0.456433
+C	-0.9928631316	-0.2616043538	-1.7896881795	-0.282568
+C	 0.3063759252	-1.0860222184	-1.9069703965	 0.094887
+O	 1.1100732112	-0.3831642591	-2.8878401545	-0.293502
+C	 1.4882420377	 0.9341932845	-2.5171600151	 0.016484
+O	 0.5047286322	 1.6452022232	-1.7590598531	-0.328711
+C	 0.7436656939	-0.5558346412	-0.529479932	-0.080043
+H	 0.4410672665	-0.7537056346	 1.6818756133	 0.110001
+H	-0.9642995125	-1.292391381	 0.7551420572	 0.113463
+H	-1.6050975172	 1.1890979464	 0.6897246999	 0.102167
+H	 0.0924407106	 1.6017035171	 1.0572780726	 0.113041
+H	-1.7989040422	-0.7506874866	-1.2403842154	 0.098195
+H	-1.3640948348	 0.1642171001	-2.7216889135	 0.106176
+H	 0.315629336	-2.1386509295	-2.1992810194	 0.072282
+H	 2.4200350033	 0.9034467814	-1.9340211044	 0.093987
+H	 1.6531679501	 1.4897010091	-3.4431932585	 0.119611
+H	 1.8131443213	-0.5045122872	-0.3233899274	 0.08111
+19
+0 505	3.2783684	1.7161733	1.4601198	1.468	74.45	-0.23474	0.0869	0.32164000000000004	951.249	0.159253	-422.514478	-422.507566	-422.506622	-422.545317	28.416
+C	 0.0259550205	 0.2441728588	 1.3617075981	-0.251568
+C	-0.6873773158	 0.9964820041	 0.1822580084	-0.316806
+C	 0.5901300874	 0.7949000358	-0.6285681726	 0.426213
+C	 0.9001002324	 0.5361190322	-2.0784221594	-0.159596
+O	 2.1364146853	-0.1952602136	-2.1167788088	-0.278431
+C	 3.0927797301	 0.1195056986	-1.1009952132	-0.063728
+C	 2.4095971407	 0.5352131771	 0.207317257	 0.047834
+O	 1.6332410162	 1.7169066523	-0.1470823154	-0.348774
+C	 1.121244638	-0.2687476461	 0.3686425623	-0.063154
+H	 0.40796807	 0.9106533543	 2.136393985	 0.116741
+H	-0.5632195281	-0.5449499468	 1.8317018782	 0.103411
+H	-1.5277288876	 0.4220632951	-0.2195351202	 0.10532
+H	-0.9960437428	 2.0312111605	 0.3458219605	 0.11165
+H	 0.1585764899	-0.1053032671	-2.5664350401	 0.105764
+H	 0.9815492355	 1.4808453361	-2.6350289807	 0.101877
+H	 3.7035902885	-0.7822731562	-0.9770556842	 0.104185
+H	 3.743266318	 0.9478770514	-1.4196993225	 0.100762
+H	 3.1119462403	 0.7082412238	 1.030229152	 0.07425
+H	 1.1248164114	-1.3345537604	 0.1435025657	 0.084051
+19
+0 506	3.2282626	1.7219077	1.4406996	1.8781	73.86	-0.24563	0.06784	0.31346999999999997	947.2884	0.159712	-422.501678	-422.494884	-422.49394	-422.532421	28.105
+C	 0.2981045697	 0.912887214	-1.1648241665	-0.155802
+O	 0.4119733122	-0.3822206682	-0.4829936766	-0.356919
+C	 1.0353689973	 0.284834473	 0.6110794913	 0.451133
+C	 0.0773336966	 1.1020805294	 1.5479746257	-0.292755
+C	 0.9510557557	 2.3118404545	 1.1280381712	-0.085185
+C	 2.2564393832	 2.1764644197	 1.9571853929	-0.058109
+O	 2.5647592973	 0.8208027673	 2.3120746701	-0.276649
+C	 2.2254052701	-0.220470389	 1.3840372748	-0.150435
+C	 1.3017854112	 1.5753807288	-0.182818048	-0.072965
+H	 0.6454819935	 0.8384355133	-2.1986858261	 0.115383
+H	-0.7316095793	 1.2874523571	-1.1532592372	 0.109243
+H	-0.9358795272	 1.1331156785	 1.1471367965	 0.107447
+H	 0.055704148	 0.8417296602	 2.6070226538	 0.108732
+H	 0.5568937515	 3.3320480938	 1.1480097182	 0.065432
+H	 3.0974523458	 2.6318087074	 1.4109319198	 0.093494
+H	 2.1543177485	 2.6966829942	 2.9152402497	 0.110136
+H	 3.062645945	-0.4452252305	 0.7064536435	 0.097819
+H	 2.0165700583	-1.109453125	 1.9902449639	 0.112858
+H	 2.2800045628	 1.7740541215	-0.6266153069	 0.077141
+19
+0 507	3.1404621	1.731556	1.4681837	0.6037	73.61	-0.2433	0.07227	0.31557	946.377	0.159557	-422.501796	-422.494952	-422.494008	-422.532572	28.366
+C	-0.0673463232	 1.2155441162	-0.6670419148	-0.150415
+O	-0.2032973083	 0.0182363243	 0.164622324	-0.357084
+C	 1.1646407984	 0.1658790241	 0.5493548978	 0.483372
+C	 2.2033563262	-0.2620108219	-0.5445703679	-0.296308
+C	 2.6792103249	 1.2004828284	-0.4457616003	 0.095801
+O	 3.5329121551	 1.2783481764	 0.7089940022	-0.290566
+C	 2.9450410577	 0.9320398446	 1.9753131847	-0.057869
+C	 1.7345102928	-0.0647681501	 1.9225627682	-0.338508
+C	 1.2679089725	 1.6180504651	 0.016078922	-0.117297
+H	-0.0264287029	 0.970653705	-1.7343153227	 0.1085
+H	-0.8948441482	 1.9067934745	-0.4870719839	 0.115526
+H	 2.9446160739	-1.0181686412	-0.2814005481	 0.099473
+H	 1.7182889425	-0.5175067817	-1.4877487118	 0.108927
+H	 3.2208679395	 1.6878986338	-1.2590403135	 0.073971
+H	 3.7623747214	 0.5275455956	 2.5780563356	 0.111741
+H	 2.6004204132	 1.8516821421	 2.4648100434	 0.105538
+H	 2.0494401508	-1.1032508896	 2.0677554303	 0.108659
+H	 1.0251000968	 0.1942430021	 2.7148565174	 0.111423
+H	 1.1916890271	 2.4908555124	 0.6648029972	 0.085116
+19
+0 508	3.2388957	1.7088254	1.4350569	2.3378	73.93	-0.2343	0.07406	0.30836	951.0615	0.159828	-422.50224	-422.495463	-422.494519	-422.532921	28.132
+C	-0.2021792763	 1.3548568663	 0.0085225187	-0.183335
+O	-0.1177865815	-0.073006938	-0.2883224191	-0.31027
+C	 1.2925171551	-0.0877231742	 0.0467094985	 0.119707
+C	 2.4014326588	-0.0936325066	-1.0277139686	 0.064298
+C	 1.8258454347	 1.2279188684	-1.5658094722	-0.302303
+C	 1.3168215927	 1.456390977	-0.0912141139	 0.301245
+C	 2.3705019517	 2.1352568535	 0.7476486275	-0.350057
+C	 3.7136594259	 1.4858885329	 0.2849842825	-0.059579
+O	 3.5797803651	 0.157685227	-0.2401099039	-0.282912
+H	-0.805291716	 1.8963878332	-0.7285658215	 0.105303
+H	-0.609414421	 1.5212731326	 1.0157962005	 0.100565
+H	 1.5021170113	-0.6318867247	 0.9722803129	 0.076477
+H	 2.6230807987	-0.9419698798	-1.6793464945	 0.074922
+H	 2.5184249396	 1.9517907455	-1.997958213	 0.101396
+H	 0.9981650559	 1.0523638535	-2.2528733748	 0.119686
+H	 2.4255834891	 3.220195621	 0.5969620948	 0.101475
+H	 2.1852284824	 1.9543492546	 1.8124813874	 0.106496
+H	 4.1821160924	 2.1288609714	-0.4717441874	 0.10271
+H	 4.4168351116	 1.3987522362	 1.1168907061	 0.114173
+19
+0 509	3.258968	1.7009462	1.4293602	0.652	74.1	-0.24966	0.06988	0.31954	950.2597	0.159856	-422.502697	-422.495896	-422.494952	-422.53347	27.956
+C	 0.1844647826	 0.8645025241	-1.1814358585	-0.185873
+O	 0.4478852224	-0.442142529	-0.5843701004	-0.316539
+C	 1.065544867	 0.1853951314	 0.5698411112	 0.138961
+C	 2.5890008682	 0.2299506459	 0.7544020268	-0.103994
+C	 2.6808239481	 1.0156688203	-0.5754971034	-0.264086
+C	 1.2161279872	 1.4883075628	-0.2484757655	 0.260965
+C	 1.2492679794	 2.7344972777	 0.5956383694	-0.171614
+O	 2.365943044	 2.6081828968	 1.4875295653	-0.271293
+C	 2.7526237301	 1.2875133346	 1.8824258896	-0.065809
+H	 0.3930280085	 0.8782712709	-2.2565814982	 0.108136
+H	-0.854014743	 1.1759432199	-1.0004567621	 0.101461
+H	 0.4349110586	 0.084856507	 1.4611320217	 0.070029
+H	 3.1916253703	-0.6635149485	 0.9419639505	 0.068763
+H	 3.4460107164	 1.7902178357	-0.6444541085	 0.10734
+H	 2.7107020498	 0.366203099	-1.4497896641	 0.112405
+H	 1.4298308967	 3.6538356421	 0.0263047628	 0.108566
+H	 0.3092592199	 2.8555679071	 1.1567665124	 0.094147
+H	 3.8068426147	 1.3758016148	 2.1629239226	 0.113731
+H	 2.191325669	 0.9721810575	 2.7769184484	 0.094703
+19
+0 510	3.1464101	1.7723069	1.4543579	1.9279	73.78	-0.23766	0.07029	0.30795	944.5882	0.159802	-422.503107	-422.496347	-422.495403	-422.53378	28.146
+C	-0.126397434	 1.2936451472	 0.1264550051	-0.1706
+O	-0.0864205732	-0.091770065	-0.3449981138	-0.316021
+C	 1.3420725702	-0.1834733304	-0.0787883142	 0.108304
+C	 2.3838809505	-0.1083171656	-1.2093674553	-0.086423
+C	 1.7927920728	 1.2707108776	-1.5966566545	-0.300773
+C	 1.3781191896	 1.3581419771	-0.0777442939	 0.404706
+O	 2.2992141636	 2.0018683067	 0.7323067324	-0.322252
+C	 3.6211610049	 1.574131887	 0.3325591177	-0.090172
+C	 3.679905967	 0.1917151088	-0.3969866234	-0.238465
+H	-0.7672027286	 1.9253802041	-0.4969752186	 0.1077
+H	-0.4416250957	 1.3473552693	 1.1766576168	 0.109151
+H	 1.5492047471	-0.8119154256	 0.7931951847	 0.070355
+H	 2.5170248845	-0.8987906774	-1.9527761124	 0.06617
+H	 2.4747529682	 2.0328971678	-1.9773468375	 0.097251
+H	 0.92171956	 1.1947715511	-2.2463873948	 0.117327
+H	 4.040948273	 2.34370047	-0.3260914889	 0.110083
+H	 4.2274331141	 1.5551089243	 1.241775887	 0.114668
+H	 4.5458460823	 0.212841095	-1.0666777912	 0.108695
+H	 3.8539222137	-0.6161124421	 0.3230844948	 0.110297
+19
+0 511	3.2749153	1.7111259	1.4206716	2.3676	73.66	-0.24157	0.06413	0.3057	961.1714	0.159532	-422.515288	-422.508352	-422.507408	-422.546271	28.293
+C	 1.8457883386	 0.0560861883	 0.0663023572	-0.162043
+O	 0.5895383849	-0.5307193459	-0.3852142219	-0.308941
+C	 0.2013111078	 0.6917329639	-1.0461093025	 0.103135
+C	-0.6753954925	 1.6949916133	-0.2995937768	 0.031508
+C	-0.6810394956	 2.9797464599	-1.1658232577	-0.230679
+C	 0.7284544327	 3.6525365107	-1.1461120703	-0.18396
+C	 1.9221119399	 2.6546845154	-0.97571202	-0.325455
+C	 1.3338638194	 1.4366420579	-0.3193191897	 0.389803
+O	 0.3660349107	 1.8640701745	 0.7015975335	-0.335498
+H	 2.0254257004	-0.106158068	 1.1326895918	 0.118674
+H	 2.691909063	-0.3134887261	-0.5289163854	 0.098808
+H	 0.0897963537	 0.5722433127	-2.1269672207	 0.077647
+H	-1.6423915266	 1.4197271547	 0.1302268766	 0.083046
+H	-0.9943454557	 2.7310692176	-2.187309534	 0.1015
+H	-1.4162401592	 3.690892509	-0.7783972145	 0.108738
+H	 0.8661458579	 4.2610416235	-2.0441743396	 0.097589
+H	 0.7517863829	 4.3379434204	-0.2969780341	 0.122453
+H	 2.3677222652	 2.3782729076	-1.9379514365	 0.104677
+H	 2.7100516927	 3.1175938305	-0.3717154452	 0.108999
+19
+0 512	2.9849878	1.904294	1.5545944	0.9405	73.53	-0.23566	0.07967	0.31533	914.6816	0.16002	-422.53753	-422.530956	-422.530011	-422.567981	27.908
+C	 0.6778818924	 0.7569479486	 1.4072501719	-0.289275
+C	-0.5633671546	 1.2380023848	 0.5607109116	-0.34594
+C	 0.1020041005	 0.5536174963	-0.6392081993	 0.43105
+C	-0.0194349861	-0.9776380131	-0.8138266661	-0.282322
+C	 1.3634326305	-0.9874735857	-1.4720700015	 0.059475
+C	 1.1462503813	 0.1083241689	-2.5569937361	-0.100881
+O	 0.1496297226	 1.0039945034	-1.9853659682	-0.341872
+O	 2.2067012576	-0.4783469856	-0.4116786324	-0.298233
+C	 1.4534986024	 0.6461789635	 0.0551898142	 0.107926
+H	 1.0743718713	 1.4589176469	 2.1415957091	 0.107582
+H	 0.5100367948	-0.2090296406	 1.8854297113	 0.117959
+H	-1.5568305341	 0.8985861495	 0.8580760425	 0.108593
+H	-0.569486657	 2.3254156151	 0.453782413	 0.121312
+H	-0.0467984636	-1.5662246599	 0.1028119089	 0.10952
+H	-0.8517856712	-1.2365302895	-1.4711038142	 0.106546
+H	 1.7879366279	-1.9218673197	-1.83671661	 0.085801
+H	 2.0752468134	 0.6524766628	-2.7604089463	 0.111547
+H	 0.7558586049	-0.3050050892	-3.4930906392	 0.107752
+H	 1.9907546269	 1.5760612233	-0.1586014591	 0.083462
+19
+0 513	3.0587342	1.8979165	1.5520174	1.6967	73.3	-0.24426	0.07951	0.32377	917.8802	0.160077	-422.555876	-422.549223	-422.548279	-422.586478	27.878
+C	 0.8944236561	 1.123986374	 1.2749238274	-0.260539
+C	-0.0353735387	 1.6942057685	 0.1459423704	-0.342643
+C	 0.1406064775	 0.3628476743	-0.5940601828	 0.402653
+C	 0.2613066109	-0.0979591023	-2.0396226904	-0.315835
+C	 0.4240558684	-1.6372908271	-1.76647542	-0.241642
+C	 0.1472317546	-1.7120192322	-0.2388377174	 0.177809
+O	 1.3140306779	-1.3426949014	 0.5104190678	-0.284974
+C	 1.3940429326	 0.0580435399	 0.2504331082	 0.101648
+O	-0.7473097608	-0.6393927339	-0.0348678765	-0.291657
+H	 1.6461951546	 1.8003053003	 1.6854056857	 0.099024
+H	 0.3275467982	 0.6648899493	 2.0844955037	 0.127117
+H	-1.0582047558	 1.9662572334	 0.4103898416	 0.116938
+H	 0.4318853557	 2.5231581776	-0.3916700593	 0.110575
+H	-0.6373167165	 0.1178019615	-2.6231742027	 0.108013
+H	 1.1244625532	 0.3361232744	-2.5505736232	 0.101823
+H	-0.3129390529	-2.226308656	-2.3171536759	 0.109597
+H	 1.41951544	-2.0151023188	-2.0079991227	 0.113407
+H	-0.2477118886	-2.6498047207	 0.149937321	 0.091586
+H	 2.3569013736	 0.3100817991	-0.2038624148	 0.077099
+19
+0 514	3.0684401	1.8493557	1.5384848	2.4884	73.24	-0.24633	0.08401	0.33033999999999997	918.3077	0.160545	-422.545879	-422.539372	-422.538428	-422.576306	27.565
+C	 1.8617407982	 0.2660678637	 1.8016113725	-0.282912
+C	 0.6075917785	-0.3683124055	 2.5062533231	-0.346671
+C	 0.2647254968	-1.0441533844	 1.1617476299	 0.266265
+C	-0.9977199683	-1.2561548348	 0.3393961427	-0.161066
+O	-0.4110027153	-1.6758531402	-0.9287116724	-0.284535
+C	 0.98227066	-1.8895823018	-0.6995732382	 0.217153
+C	 1.0349907542	-2.3279758494	 0.7594398719	-0.296189
+O	 1.7047142955	-0.651698548	-0.6853672161	-0.281622
+C	 1.1354994501	 0.0050443261	 0.4479537298	 0.141159
+H	 2.0980141866	 1.3038828224	 2.0425274185	 0.103931
+H	 2.7606675078	-0.3407270334	 1.9222506335	 0.117637
+H	 0.7788865041	-1.0179075923	 3.3666991011	 0.107779
+H	-0.1224417842	 0.3972804867	 2.7836674505	 0.111352
+H	-1.6715500179	-2.0386049409	 0.7130181077	 0.095975
+H	-1.5700123447	-0.3373694835	 0.1725181185	 0.105151
+H	 1.3780173005	-2.5141191158	-1.4978297272	 0.09152
+H	 0.4795175856	-3.2452250792	 0.969564443	 0.105255
+H	 2.0512364127	-2.4011479833	 1.1451002868	 0.109872
+H	 0.5810427398	 0.8919612737	 0.1211435342	 0.079945
+19
+0 515	3.082654	1.7640703	1.5703814	2.1058	73.66	-0.24583	0.07262	0.31845	924.9625	0.160205	-422.51976	-422.513176	-422.512232	-422.550244	27.864
+C	 0.929902848	 1.6848051206	 1.0112363161	-0.300473
+C	-0.3437749857	 1.7446866212	 0.0640290777	-0.339421
+C	-0.0376463784	 0.2613003166	-0.229095248	 0.375569
+C	 0.9501315923	 0.0238841461	-1.3951688179	-0.133565
+O	 1.1427616738	-1.3969722372	-1.3545943631	-0.259784
+C	 0.4040510076	-1.7687875097	-0.2008172016	 0.167486
+C	 1.2413452745	-1.2570108107	 1.0509843596	-0.340458
+C	 0.6283044993	 0.1536465906	 1.1224978868	 0.059778
+O	-0.7879885178	-0.966885607	-0.2880201239	-0.309665
+H	 1.8466918993	 1.9390377696	 0.4766740844	 0.116942
+H	 0.8837225363	 2.2607418775	 1.9359965168	 0.110196
+H	-1.2574375033	 1.8855790607	 0.6449424697	 0.125257
+H	-0.3322780582	 2.4396867856	-0.7785761334	 0.106471
+H	 0.5013752989	 0.3071965781	-2.354584996	 0.108252
+H	 1.9048469548	 0.5482538033	-1.2804688904	 0.10512
+H	 0.1548032677	-2.8279212566	-0.2390836084	 0.093315
+H	 1.064909698	-1.8444727073	 1.9547583121	 0.10242
+H	 2.3002685041	-1.3153642184	 0.7936273652	 0.119513
+H	-0.2019273911	 0.0973211771	 1.8348425744	 0.093045
+19
+0 516	3.0340534	1.7762119	1.5921085	1.0729	73.7	-0.24024	0.05537	0.29561000000000004	918.6348	0.160194	-422.50093	-422.49437	-422.493426	-422.531361	27.905
+C	-0.3102851079	 1.3833739122	-0.0890597822	-0.192202
+O	-0.0769716133	-0.0111779605	 0.3303272204	-0.364451
+C	 1.2947589434	 0.1205168542	-0.1503160653	 0.425057
+C	 1.4285790939	-0.2322565594	-1.6557591059	-0.260092
+C	 2.8515959556	 0.2887897276	-2.0061959488	-0.206289
+C	 3.2248794919	 0.9639401552	-0.6835855757	 0.104829
+C	 2.7224789212	-0.1123962739	 0.3685685195	-0.354051
+O	 2.3371555991	 2.1433526627	-0.5806174305	-0.31727
+C	 1.221002939	 1.5935249545	 0.1000656393	 0.121963
+H	-0.7006452625	 1.4372540527	-1.109323798	 0.116594
+H	-0.9718431389	 1.904928476	 0.6053938509	 0.116865
+H	 1.3314481673	-1.3149401243	-1.7760762258	 0.108138
+H	 0.6513441915	 0.2329344573	-2.2635280288	 0.105783
+H	 3.5443744801	-0.5216999741	-2.2524271961	 0.097878
+H	 2.8561272324	 1.0087624748	-2.8265748833	 0.110639
+H	 4.2527051709	 1.3070782078	-0.5728319416	 0.084555
+H	 3.1835478329	-1.0827438488	 0.1677577099	 0.103418
+H	 2.8736135156	 0.170305204	 1.4107917315	 0.114346
+H	 1.3284681178	 1.7944174518	 1.1747822904	 0.08429
+19
+0 517	2.9972119	1.8388512	1.5319901	1.6302	73.22	-0.24651	0.06796	0.31447	920.2321	0.160425	-422.532556	-422.526003	-422.525059	-422.563036	27.618
+C	-0.2937458785	 1.434094176	-0.1641320278	-0.148822
+O	-0.1294252471	 0.0000108807	-0.4075919889	-0.362083
+C	 1.2452906352	 0.11253785	-0.0374669887	 0.436356
+C	 2.4718805393	-0.4894810707	-0.7026746408	-0.142432
+O	 3.5013713734	 0.1687322357	 0.0819499721	-0.298492
+C	 2.8765702629	 0.7882765633	 1.2433492286	 0.120365
+C	 2.2451015185	 2.1522631052	 0.8364252036	-0.27188
+C	 1.2432068119	 1.6370621743	-0.2203671985	-0.037814
+C	 1.6333359676	-0.0716970471	 1.4502101159	-0.29917
+H	-0.8884132212	 1.904748666	-0.9514070568	 0.113582
+H	-0.7603700407	 1.6213710179	 0.8112092317	 0.104097
+H	 2.5595124807	-1.5804916041	-0.6129313959	 0.097687
+H	 2.5837961727	-0.2021427142	-1.7529988151	 0.105385
+H	 3.6275484064	 0.8321105426	 2.0325525478	 0.077737
+H	 1.7828103143	 2.6377529281	 1.7029231253	 0.099344
+H	 2.9813082483	 2.8388011136	 0.4132169724	 0.107934
+H	 1.5348304486	 1.9234707316	-1.2326742325	 0.090031
+H	 1.8468550611	-1.1084000386	 1.7191195699	 0.104765
+H	 0.9121423667	 0.3546267298	 2.1493724079	 0.103408
+19
+0 518	3.0460015	1.8160402	1.5238241	1.0687	73.53	-0.24376	0.07578	0.31954	921.0786	0.16043	-422.534704	-422.528124	-422.52718	-422.565242	27.528
+C	-0.3571002927	 1.234060164	-0.1575841774	-0.207034
+O	-0.1796852191	-0.0701742451	 0.4689353274	-0.311386
+C	 1.244272179	-0.0098294357	 0.1691921655	 0.149412
+C	 2.3422796437	-0.2538274548	 1.2218038504	-0.273063
+C	 2.8785452601	 1.1997205321	 1.3367788978	 0.116477
+C	 1.5765946495	 1.9900084848	 1.4360088084	-0.265867
+C	 1.136205661	 1.5191987944	 0.0311204307	 0.254657
+C	 2.3026974541	 2.0323911976	-0.7911463317	-0.162305
+O	 3.4134290526	 1.6232276002	 0.0542794089	-0.299554
+H	-0.6731695633	 1.1294585342	-1.2044857397	 0.102253
+H	-1.0728735535	 1.8591343073	 0.3847289629	 0.109458
+H	 1.4394185775	-0.5364551421	-0.7740245577	 0.07469
+H	 1.945435377	-0.6106487917	 2.1772582199	 0.112565
+H	 3.1039745496	-0.9536534119	 0.8716220177	 0.107553
+H	 3.653892911	 1.361682916	 2.0861305053	 0.077024
+H	 0.9146174377	 1.648868776	 2.2331907218	 0.114327
+H	 1.7207848595	 3.0715082435	 1.5009093669	 0.101508
+H	 2.4030907921	 1.5417701367	-1.7655910195	 0.10342
+H	 2.3240717242	 3.1206737844	-0.9356717977	 0.095864
+19
+0 519	3.0373604	1.8498718	1.5297691	2.3661	73.35	-0.25	0.06646	0.31646	924.4722	0.160203	-422.545708	-422.539043	-422.538098	-422.576375	27.701
+C	-0.3968573224	 1.3142792428	-0.0568205773	-0.188375
+O	-0.2113170897	-0.0005167073	-0.6488160261	-0.304805
+C	 1.1445344003	-0.0684230884	-0.1336171855	 0.120145
+C	 2.3441084354	-0.236546648	-1.0842011179	-0.261719
+C	 2.9098073976	 1.2079626476	-0.9947754462	 0.070354
+C	 3.420464731	 1.5525973701	 0.4425692454	-0.227283
+C	 2.0874324738	 1.9037378568	 1.2009327476	-0.311041
+C	 1.112258322	 1.4494878606	 0.1263567733	 0.377335
+O	 1.7041313178	 1.9746080357	-1.0717374614	-0.28972
+H	-0.8621883186	 2.023509921	-0.7467880602	 0.11927
+H	-0.9695502545	 1.2589544616	 0.8776031511	 0.100322
+H	 1.1847155322	-0.7183655626	 0.7483854731	 0.070497
+H	 3.0411781045	-1.0136554128	-0.7595476988	 0.096285
+H	 2.0185246435	-0.4505104965	-2.1049488952	 0.121786
+H	 3.5894787805	 1.4933355881	-1.7980038422	 0.08009
+H	 3.9595608583	 0.7208443956	 0.9041567603	 0.102929
+H	 4.0937640779	 2.4113238106	 0.411970932	 0.112184
+H	 1.9751875008	 1.3586662516	 2.1414014497	 0.102336
+H	 2.0135890095	 2.9746465733	 1.4041908283	 0.109412
+19
+0 520	2.9771516	1.8693718	1.5365234	1.7124	73.47	-0.23639	0.06756	0.30395	918.4797	0.160186	-422.53338	-422.526779	-422.525834	-422.563928	27.674
+C	 0.3977047188	 0.9012000314	-1.2729307088	-0.198758
+O	-0.1644549347	-0.1897143087	-0.4765720623	-0.310302
+C	 0.7918362755	 0.1027471764	 0.5888247476	 0.116595
+C	 0.4127477524	 0.3173530596	 2.0696894031	-0.278907
+C	 0.6748655188	 1.8524439215	 2.1702953296	-0.05582
+C	 2.1466283732	 2.1829034107	 1.7573474	-0.094116
+O	 2.1843371834	 2.1009828469	 0.300084068	-0.338006
+C	 0.9314911154	 1.5112336695	 0.022167313	 0.406929
+C	-0.038806109	 2.3258927681	 0.8928868277	-0.263781
+H	 1.1794050121	 0.5379630418	-1.952032219	 0.110992
+H	-0.3704529076	 1.4434907525	-1.8311556445	 0.110575
+H	 1.6839197535	-0.5220726562	 0.4608378892	 0.078784
+H	-0.6372214894	 0.088502823	 2.2746673444	 0.116633
+H	 1.0327406709	-0.2790544716	 2.7449623661	 0.099896
+H	 0.3887100623	 2.3073198333	 3.1196136782	 0.071287
+H	 2.4312206784	 3.1990388021	 2.0481441166	 0.110834
+H	 2.872116129	 1.4790671092	 2.1839414432	 0.102454
+H	 0.0428057226	 3.3962568336	 0.6899158245	 0.101828
+H	-1.0784816156	 2.0014606467	 0.8274307232	 0.112881
+19
+0 521	2.8178284	1.8855046	1.6801988	1.4475	73.79	-0.23757	0.06707	0.30464	902.2067	0.160023	-422.513209	-422.506605	-422.50566	-422.543705	27.871
+C	 0.6095052912	 1.3468239467	 1.3372739438	-0.301985
+C	-0.6488338767	 1.292852729	 0.376283199	-0.328444
+C	 0.2915478793	 0.5643363445	-0.6072167765	 0.398844
+C	 0.5258907573	-0.9263777594	-0.2619455475	-0.120471
+O	 1.9647299382	-1.0452754114	-0.2285653131	-0.275178
+C	 2.4384064158	 0.2421204139	-0.6136390469	-0.00139
+C	 1.9601295459	 0.4848055611	-2.0948794398	-0.099403
+O	 0.5100862057	 0.6957679394	-2.0080521572	-0.348371
+C	 1.4840328391	 1.2366700324	 0.0448321316	 0.018066
+H	 0.7378309655	 2.2608215606	 1.9175823457	 0.108487
+H	 0.6728574548	 0.4878259733	 2.0056569033	 0.126064
+H	-1.5469118831	 0.7712673547	 0.7146334875	 0.104391
+H	-0.9151554505	 2.2937840915	 0.0296536132	 0.11953
+H	 0.1160322782	-1.2476551312	 0.7012655149	 0.098178
+H	 0.1075048652	-1.5548832107	-1.0555517089	 0.108407
+H	 3.5187551706	 0.2840313376	-0.4735057444	 0.082891
+H	 2.4237652851	 1.3613744105	-2.5624219817	 0.104691
+H	 2.1639858022	-0.4032324689	-2.7003046892	 0.115913
+H	 1.6117954262	 2.2392221964	-0.3713526139	 0.089781
+19
+0 522	2.8523129	1.8591942	1.673614	2.6539	73.41	-0.24508	0.07511	0.32019	902.6197	0.160663	-422.524612	-422.518092	-422.517148	-422.555064	27.493
+C	-1.7420717578	-1.3617477676	 0.246089494	-0.291935
+C	-1.8110403485	 0.017038514	-0.5133611545	-0.324939
+C	-0.292288403	-0.1522618217	-0.7816385633	 0.236133
+C	 0.5791564597	 0.1681165589	 0.4680030255	-0.104827
+O	 1.3251014471	-1.0406519952	 0.7144932135	-0.256227
+C	 1.0050999301	-1.8638671442	-0.3798678313	 0.16063
+O	 1.5235028349	-1.2828313675	-1.5972492225	-0.296745
+C	 0.6658109736	-0.1450575042	-1.9623650525	-0.16222
+C	-0.4847922781	-1.6738750212	-0.6181197478	 0.005651
+H	-1.5311913178	-1.2483777198	 1.310369631	 0.125206
+H	-2.5889558135	-2.0383398952	 0.1232630546	 0.104258
+H	-2.4069345285	-0.0670179765	-1.4260394995	 0.11185
+H	-2.1328807822	 0.9018222389	 0.0410221109	 0.103502
+H	 1.2705221889	 0.9947516092	 0.2657794077	 0.103771
+H	-0.0053619176	 0.4177575346	 1.3587970662	 0.101375
+H	 1.4697497766	-2.8396313511	-0.2510032277	 0.089856
+H	 1.3022834881	 0.7414207981	-2.0563459079	 0.102735
+H	 0.1780787644	-0.3473526539	-2.9234113474	 0.099461
+H	-0.7833721565	-2.1425873855	-1.5590350288	 0.092466
+19
+0 523	2.7863871	1.8717774	1.6648056	1.56	73.23	-0.24025	0.05618	0.29642999999999997	904.7591	0.160387	-422.511478	-422.504902	-422.503958	-422.541972	27.698
+C	-0.3124276413	 1.2256771293	 0.0187973897	-0.174872
+O	 0.0148434095	-0.105782066	-0.5128164222	-0.364739
+C	 1.3810909131	 0.115156029	-0.0831758085	 0.417693
+C	 2.7275016577	-0.053845082	-0.7749833698	-0.318428
+C	 3.4735885002	 1.1422205809	-0.0204465478	-0.222711
+C	 2.3657504029	 1.8339635617	 0.8741429157	 0.038314
+O	 2.109778465	 0.9924247583	 1.994198485	-0.265701
+C	 1.5838933353	-0.2202708365	 1.4253040061	-0.127581
+C	 1.1861879101	 1.6209135806	-0.0696636811	-0.028443
+H	-0.9976057894	 1.7574697594	-0.6448855599	 0.114397
+H	-0.7347802023	 1.1649878975	 1.0270233896	 0.118381
+H	 3.220636102	-1.0154330158	-0.6096640285	 0.103085
+H	 2.6642516354	 0.1304611035	-1.8501036849	 0.109753
+H	 4.2779400818	 0.7825559429	 0.6247620942	 0.117116
+H	 3.9037795067	 1.8469809332	-0.7366339076	 0.108238
+H	 2.63456969	 2.8254776571	 1.2385270556	 0.078743
+H	 2.2934808312	-1.0445057071	 1.5697702113	 0.094976
+H	 0.6429606642	-0.4805424528	 1.9187011598	 0.111538
+H	 1.3816223279	 2.050457527	-1.0550151967	 0.090239
+19
+0 524	2.784574	1.8691785	1.6774078	2.5917	73.46	-0.23955	0.0624	0.30195	904.4016	0.160329	-422.513057	-422.506436	-422.505491	-422.543637	27.607
+C	-0.1998952104	 1.1528216903	-0.7132970465	-0.200584
+O	 0.1911628939	-0.2589277535	-0.6801675634	-0.314119
+C	 1.1837910866	 0.0936328602	 0.3228104641	 0.165659
+C	 2.7026002542	-0.0412545063	 0.3518801157	 0.0167
+C	 2.967920569	 1.1573641638	 1.3448057466	-0.224852
+C	 1.8710291933	 2.2586337455	 0.9726615104	-0.331267
+C	 1.2072938326	 1.5227072719	-0.1908962087	 0.234327
+C	 2.2488391516	 1.4003923624	-1.3369304896	-0.096659
+O	 3.1453267611	 0.3473257652	-0.9362713717	-0.263089
+H	-0.486643003	 1.473340691	-1.7185197603	 0.112266
+H	-1.0146315952	 1.3506051831	-0.0048234997	 0.104559
+H	 0.7497283224	-0.0279092807	 1.3241034728	 0.076282
+H	 3.1837025843	-0.9797972962	 0.6273832644	 0.081889
+H	 2.8827036841	 0.8481333215	 2.3901854654	 0.107
+H	 3.9849881606	 1.5187493511	 1.1816100673	 0.119418
+H	 1.1857580805	 2.4252871447	 1.8079979138	 0.104632
+H	 2.3261631247	 3.2165447293	 0.7078690525	 0.103308
+H	 1.7961635853	 1.1277668118	-2.294733668	 0.111126
+H	 2.8079717346	 2.336059975	-1.4651283251	 0.093405
+19
+0 525	2.8075194	1.8899367	1.7259619	2.1909	73.9	-0.24392	0.07228	0.3162	895.7507	0.160011	-422.517769	-422.511121	-422.510177	-422.54833	27.768
+C	-0.3729106692	 1.2792223959	 0.0970518868	-0.180725
+O	-0.1881799888	-0.0956880066	-0.3800029444	-0.319708
+C	 1.2284153209	 0.0260722151	-0.0792309042	 0.138674
+C	 2.4460608297	-0.0511610428	-1.0021017556	-0.12278
+C	 3.374280406	 0.9001650094	-0.1419665593	-0.215392
+C	 2.4137654654	 2.018898178	 0.4748878318	-0.312947
+C	 1.1233068663	 1.5344264065	-0.1646606962	 0.394153
+O	 1.2358102872	 1.8302743284	-1.5722409073	-0.312832
+C	 1.9577249279	 0.7568015124	-2.1972396304	-0.076838
+H	-1.0769023942	 1.8377801196	-0.5222138012	 0.121354
+H	-0.6726735644	 1.2929135415	 1.152168664	 0.100429
+H	 1.4345058963	-0.3768090195	 0.9196932284	 0.077581
+H	 2.8925714003	-1.0184150162	-1.2338877236	 0.073852
+H	 3.8677617527	 0.3361033102	 0.6536114031	 0.107581
+H	 4.1557851491	 1.3346934745	-0.7696274777	 0.111773
+H	 2.401515862	 1.974662552	 1.5673180143	 0.101528
+H	 2.6978397771	 3.0248307608	 0.162468988	 0.112417
+H	 1.2871989625	 0.1775231024	-2.8451420196	 0.105273
+H	 2.7717665131	 1.1689087883	-2.8051503769	 0.096607
+19
+0 526	2.3695419	1.9351966	1.827124	1.1168	73.05	-0.25013	0.0769	0.32703000000000004	909.8601	0.158187	-422.522397	-422.515052	-422.514108	-422.553973	29.332
+C	 0.0810698678	 2.1193122937	 0.7600121879	-0.29344
+C	 1.3109127433	 1.6118750526	-0.0821695515	-0.29344
+C	 0.322594684	 1.0258711101	-1.1241672426	 0.369836
+C	-0.125170582	 1.8832230472	-2.3429947625	-0.30183
+C	-1.3551722919	 2.3907464721	-1.5006977257	-0.301829
+C	-0.867004333	 1.5167085127	-0.3095469668	 0.369835
+O	-1.5963950533	 0.366115696	 0.0544052984	-0.308264
+C	-1.1426312013	-0.6577730409	-0.825628919	-0.011973
+O	 0.2080028554	-0.3783919207	-1.1812085883	-0.308263
+H	-0.0271629347	 1.6365448185	 1.7322502661	 0.117019
+H	 0.0130227258	 3.2018011765	 0.8893090434	 0.101385
+H	 1.9788760235	 2.3906828482	-0.4568877089	 0.101385
+H	 1.9040316186	 0.8397302707	 0.4097940587	 0.11702
+H	 0.5827549506	 2.6519862267	-2.6618105309	 0.10288
+H	-0.3963502008	 1.2779039351	-3.2109438166	 0.111836
+H	-1.3903308339	 3.4661250676	-1.3106336778	 0.102881
+H	-2.3254200568	 2.0738918424	-1.8899366476	 0.111836
+H	-1.1834162345	-1.619055745	-0.3059776972	 0.122304
+H	-1.7743108967	-0.6889084437	-1.7293255292	 0.090823
+19
+0 527	2.4496578	1.8733256	1.7923447	0.9152	73.16	-0.24531	0.05889	0.3042	915.5026	0.158546	-422.520722	-422.513481	-422.512537	-422.552041	29.147
+C	-0.0920970048	-0.8740336579	-3.0570529344	-0.301803
+C	 0.9798720152	 0.2165124956	-3.4304473131	-0.29908
+C	 0.3498263799	 1.150072502	-2.3678826573	 0.334425
+C	-0.9282018418	 1.9370903784	-2.747174791	-0.155557
+O	-1.7715537759	 0.8523170251	-2.2542491672	-0.343637
+C	-0.6072129055	 0.0598245433	-1.9214818811	 0.391224
+C	-0.3350577702	-0.140940294	-0.4411573667	-0.320767
+C	 0.4196619127	 1.1754280301	-0.0924888766	-0.096246
+O	 1.123420311	 1.5805778345	-1.2832614144	-0.308294
+H	-0.8495006027	-1.0502113863	-3.82246892	 0.117254
+H	 0.3159222488	-1.8333873689	-2.7318018192	 0.105377
+H	 1.9975825022	-0.0651364652	-3.1545448553	 0.116234
+H	 0.9747382407	 0.5734879408	-4.4625799299	 0.102952
+H	-1.081535609	 2.8636763265	-2.1823790782	 0.108344
+H	-1.0865404476	 2.1275137542	-3.8152447036	 0.100864
+H	-1.2448030876	-0.2651625813	 0.1507487557	 0.119075
+H	 0.3099638131	-1.0095604242	-0.2790269453	 0.108847
+H	-0.2954329609	 1.9542591486	 0.2068462343	 0.107272
+H	 1.1589179424	 1.0624769287	 0.7041591232	 0.113515
+19
+0 528	2.448994	1.8425166	1.7544702	1.4851	73.07	-0.24761	0.05565	0.30326	920.7935	0.158906	-422.515534	-422.508313	-422.507369	-422.546941	28.805
+C	-1.3302693766	 2.0405877615	-0.3330845339	-0.290998
+C	-0.4736292857	 2.5014109999	-1.5625298547	-0.285443
+C	 0.7933167402	 1.9764735039	-0.837680677	 0.391852
+C	 1.5099611694	 0.7039286054	-1.2704172848	-0.156612
+O	 0.7446714623	-0.3485957508	-0.668098056	-0.262717
+C	 0.2693238092	 0.1123888084	 0.6078529328	-0.169392
+C	-0.0334732813	 1.5878983874	 0.3963589541	 0.206159
+C	 0.7902350966	 2.6911746675	 1.0971788874	-0.153015
+O	 1.5483851664	 2.9717606968	-0.1134436633	-0.337466
+H	-1.9089488038	 2.8188714289	 0.1706270537	 0.10307
+H	-1.9962346768	 1.2051604687	-0.561922545	 0.112669
+H	-0.7102800647	 1.9916850045	-2.4995231419	 0.108268
+H	-0.4451503928	 3.5783936079	-1.7369804026	 0.114845
+H	 1.5230656191	 0.5143745312	-2.3467765391	 0.108574
+H	 2.54250651	 0.7224471213	-0.8906109391	 0.100373
+H	-0.5949849933	-0.505588197	 0.8661496633	 0.110828
+H	 1.0427198181	-0.0249639036	 1.3804479705	 0.09086
+H	 0.2240288199	 3.5679546833	 1.4333614912	 0.103453
+H	 1.4422850436	 2.3494751649	 1.9106214344	 0.104691
+19
+0 529	2.4715826	1.844562	1.7578478	1.5816	73.03	-0.24613	0.04981	0.29594	921.6251	0.158727	-422.520727	-422.513548	-422.512603	-422.55194	28.984
+C	 3.8282449089	 3.0448271077	-3.2548624027	-0.146368
+O	 3.4317124959	 1.6665811646	-3.5373932749	-0.344428
+C	 2.5042729569	 1.6786286983	-2.428913256	 0.360049
+C	 1.1136225906	 2.2705740527	-2.7548335865	-0.156746
+O	 1.5548054002	 3.598236732	-2.3281940481	-0.345425
+C	 2.877094497	 3.09181972	-2.0396117195	 0.36028
+C	 3.3948017446	 3.0837684257	-0.6101484746	-0.307815
+C	 3.823894128	 1.5947720207	-0.4239798535	-0.21218
+C	 2.8155405589	 0.7520390959	-1.2656561146	-0.299858
+H	 4.9009636952	 3.1136798357	-3.0367579887	 0.102577
+H	 3.5661187439	 3.7308610644	-4.0669123313	 0.112567
+H	 0.843805421	 2.2450808261	-3.8152617333	 0.11279
+H	 0.2763508372	 1.9135455326	-2.1437170157	 0.103296
+H	 4.2134669317	 3.7819466003	-0.413667257	 0.102572
+H	 2.5670013536	 3.3358347172	 0.0603986247	 0.116847
+H	 4.8338043251	 1.4523710225	-0.8244794907	 0.115984
+H	 3.8529778932	 1.2960365144	 0.6272058602	 0.10417
+H	 3.2302075242	-0.2083722693	-1.581828043	 0.11669
+H	 1.905953154	 0.5531290284	-0.6883459848	 0.104998
+19
+0 530	2.7192918	1.8893762	1.3995254	2.2148	74.91	-0.23891	0.06177	0.30068	964.374	0.159203	-422.48948	-422.482539	-422.481595	-422.520465	28.381
+C	 0.7144736749	 1.0814829805	 1.2510568751	-0.302929
+C	-0.1132957363	 1.7061620878	 0.0500130402	-0.348875
+C	 0.1185004918	 0.3389650956	-0.6620151911	 0.292884
+C	-0.9589098783	-0.7415421665	-0.3872886645	-0.114277
+O	-0.7086152193	-1.3846054624	-1.6535584877	-0.285728
+C	 0.4203240649	-0.5365439024	-1.9095362413	-0.049524
+C	 1.7406778642	-1.2426380484	-1.4364451695	-0.110925
+O	 1.858372869	-1.0794134484	 0.0003551778	-0.283421
+C	 1.3848463919	 0.2429222094	 0.1342098728	 0.159485
+H	 1.3473434823	 1.7412640056	 1.8464239057	 0.107674
+H	 0.0659344897	 0.4968203041	 1.9066326836	 0.123965
+H	-1.1520900454	 1.9763266877	 0.2461242108	 0.112213
+H	 0.4069975288	 2.5520103336	-0.4042534167	 0.117393
+H	-0.7795296201	-1.4130472121	 0.4607879564	 0.112106
+H	-1.9824897974	-0.3488499393	-0.3394088355	 0.098866
+H	 0.4658951945	-0.1858483659	-2.9440716239	 0.083205
+H	 1.7195720669	-2.3109753541	-1.6572741972	 0.125324
+H	 2.6089091443	-0.7780888129	-1.9291317884	 0.094559
+H	 2.1233601034	 0.921757028	-0.3319227165	 0.068006
+19
+0 531	2.4648106	2.0398722	1.4268554	1.8619	73.72	-0.23328	0.06984	0.30312	960.2708	0.15926	-422.533947	-422.52682	-422.525876	-422.565288	28.507
+C	 0.6356212617	 1.0356524761	 1.2469600307	-0.273142
+C	-0.2311234728	 1.5368195739	 0.0494297165	-0.325327
+C	 0.2119149661	 0.2869832164	-0.715565976	 0.453258
+O	 0.3778365569	 0.2195398129	-2.1309445515	-0.329772
+C	-0.1087473292	-1.1434887222	-2.1526642539	-0.101645
+C	-0.5146119289	-1.0790960441	-0.6624377366	-0.158476
+C	 0.2482312038	-1.9176991561	 0.3665346916	-0.106435
+O	 1.5220035577	-1.2938764974	 0.5488034391	-0.265566
+C	 1.386990677	 0.0804065169	 0.2578543462	 0.065124
+H	 1.2466814629	 1.7786649316	 1.7606825477	 0.109135
+H	 0.0547474499	 0.4834644109	 1.9891286411	 0.110619
+H	-1.3021253859	 1.6836585894	 0.2065715062	 0.102048
+H	 0.1868917586	 2.4398786609	-0.4044906094	 0.119173
+H	-0.925835379	-1.2681812339	-2.8708244225	 0.106147
+H	 0.6906096641	-1.8594265436	-2.3804760873	 0.108529
+H	-1.5916204213	-1.0619935673	-0.4923883664	 0.085858
+H	-0.3069801761	-1.9493646424	 1.3158983589	 0.097216
+H	 0.4297394318	-2.9493382238	 0.0486353182	 0.111344
+H	 2.3587935326	 0.4628740016	-0.0604445823	 0.091914
+19
+0 532	2.468894	2.0406287	1.4297957	0.8569	73.94	-0.24299	0.07033	0.31332000000000004	959.1498	0.1592	-422.534478	-422.52734	-422.526395	-422.565828	28.529
+C	 0.3521367135	 0.4242109793	 1.4311463213	-0.239789
+C	-0.4698824915	 1.3955374246	 0.5282355235	-0.317248
+C	 0.0169767107	 0.5782913127	-0.667288203	 0.438278
+O	 0.2131257902	 1.0999668554	-1.9811468422	-0.332297
+C	-0.2757799711	-0.1233983806	-2.5864105055	-0.129261
+C	-0.7002150483	-0.6776371741	-1.20046977	 0.007914
+O	-0.0862356991	-1.8346752376	-0.6865222716	-0.267629
+C	 1.2244214047	-1.4978750634	-0.2060382588	-0.116385
+C	 1.1687768926	-0.0230265131	 0.1786292054	-0.082587
+H	 0.9204335466	 0.8752832155	 2.245571297	 0.105366
+H	-0.2582165206	-0.389244421	 1.8314256505	 0.11552
+H	-1.5484528697	 1.4775040028	 0.6857027116	 0.100141
+H	-0.0336744537	 2.3986707176	 0.5198048568	 0.116144
+H	-1.0817332456	 0.0738999861	-3.3009108276	 0.107845
+H	 0.5202406153	-0.6954340916	-3.0778529399	 0.106834
+H	-1.7785135507	-0.7690419658	-1.0553035361	 0.092063
+H	 1.4465483528	-2.1746955299	 0.6248199663	 0.111276
+H	 1.9754354966	-1.6625121197	-0.9927709207	 0.09933
+H	 2.1254621274	 0.4926935729	 0.0835510931	 0.084487
+19
+0 533	2.5211269	1.9478872	1.321996	2.2789	73.79	-0.24823	0.06166	0.30989	992.7282	0.159018	-422.529433	-422.522111	-422.521167	-422.561427	28.504
+C	-1.6846753675	 2.4900111707	 0.8689822506	-0.100367
+O	-1.6415323086	 1.6796756885	-0.3325997936	-0.32218
+C	-0.2661825723	 1.3694938683	-0.1222299569	 0.392718
+C	 0.7637028238	 1.4714345041	-1.2487250406	-0.153072
+O	 1.3549170864	 0.2145166093	-0.8502072533	-0.298472
+C	 0.2809870864	-0.0567249576	 0.0916231113	 0.066415
+C	 0.7343141927	-0.1414463343	 1.5595003188	-0.236122
+C	-0.0214370964	 1.0030451135	 2.2876338116	-0.23723
+C	-0.232301143	 2.1088154052	 1.2291393839	-0.131919
+H	-1.8493390451	 3.5463820935	 0.62754197	 0.105586
+H	-2.4609704411	 2.1522368651	 1.5653335061	 0.104681
+H	 0.3059351804	 1.4152410082	-2.2452207868	 0.110208
+H	 1.4788713548	 2.3022121615	-1.2195138996	 0.101519
+H	-0.3471796355	-0.8892546313	-0.2429794221	 0.082909
+H	 0.5469051056	-1.1158776705	 2.0181571713	 0.10327
+H	 1.8147223277	 0.0323200367	 1.5801733569	 0.11843
+H	-0.9946145823	 0.6377235032	 2.6353755125	 0.106363
+H	 0.5159948641	 1.3568843766	 3.1713308471	 0.105409
+H	 0.4668053099	 2.9406957592	 1.3290325129	 0.081852
+19
+0 534	2.7218422	1.8400108	1.3687737	1.2641	74.62	-0.24834	0.06308	0.31142000000000003	973.2656	0.159064	-422.486011	-422.479012	-422.478068	-422.51712	28.455
+C	-0.0125972861	 1.4941124346	 0.2095361758	-0.108689
+O	 1.3224848453	 1.6666738835	-0.3054980968	-0.289611
+C	 1.4262159273	 0.2707686064	-0.6483644219	-0.007906
+C	 1.1239330357	 0.0871900858	-2.1730852428	-0.219096
+C	-0.4438196054	 0.112838026	-2.3636876551	-0.314911
+C	-0.7668440152	-0.6575530917	-1.0969059232	 0.185886
+O	-1.9065973391	-0.7898652259	-0.1922142881	-0.321534
+C	-0.9233601413	-0.8452539275	 0.8967722537	-0.223502
+C	 0.0432826291	-0.0341564589	 0.0009478621	 0.262682
+H	-0.0656093143	 1.7764283037	 1.2692338978	 0.1006
+H	-0.7668137847	 2.0647403166	-0.345790128	 0.109793
+H	 2.3756621861	-0.1674743254	-0.3296749643	 0.081402
+H	 1.6256779597	 0.8727914476	-2.7424172933	 0.120546
+H	 1.5138559574	-0.8777799443	-2.516259597	 0.105865
+H	-0.8273460412	 1.1355968639	-2.3594505931	 0.122038
+H	-0.745678893	-0.3681509214	-3.2964522787	 0.105112
+H	-0.390491581	-1.6844555932	-1.2612039094	 0.070773
+H	-1.2927533698	-0.3543764299	 1.8012231424	 0.113922
+H	-0.6262724396	-1.8804694	 1.10933954	 0.10663
+19
+0 535	3.1965345	1.6432056	1.3367744	2.1598	74.2	-0.24349	0.06487	0.30836	996.4676	0.159065	-422.526895	-422.519721	-422.518777	-422.558364	28.452
+C	-1.3055096042	 3.2744568116	 0.503116555	-0.236459
+C	-1.6342911101	 1.7894701855	 0.1316804641	-0.339233
+C	-0.1267843797	 1.4736252707	 0.1341264557	 0.295845
+C	 0.5528690971	 0.221210446	 0.6415895594	-0.196097
+O	 1.9101583474	 0.3535775722	 0.2298960345	-0.252317
+C	 1.8986032105	 0.9425323037	-1.0692601447	-0.103643
+C	 0.7159874329	 1.910391417	-1.0952708256	 0.063429
+O	 0.9934073322	 3.2087511516	-0.5207783691	-0.308046
+C	 0.1987246547	 2.903739995	 0.6405085485	 0.080391
+H	-1.4831739356	 4.0048632302	-0.2887752471	 0.115359
+H	-1.7778586536	 3.6259932874	 1.4232442797	 0.104929
+H	-2.1715540619	 1.2689736961	 0.9298530402	 0.107811
+H	-2.167614323	 1.6155193091	-0.806798832	 0.102582
+H	 0.5454989402	 0.1183344708	 1.7307497972	 0.111489
+H	 0.0870030688	-0.6802246917	 0.2049145024	 0.088447
+H	 2.8583471465	 1.4398308986	-1.2290472852	 0.122494
+H	 1.7574465477	 0.1702553557	-1.8438869635	 0.086864
+H	 0.2405148096	 1.9905253067	-2.0787931312	 0.076048
+H	 0.7131811506	 3.1424866138	 1.5747025618	 0.080108
+19
+0 536	3.1189614	1.7111203	1.3646335	0.6206	74.18	-0.23386	0.06758	0.30144000000000004	986.2173	0.15907	-422.534014	-422.526869	-422.525925	-422.565409	28.616
+C	 0.2145363663	-1.9009196887	-2.1283447734	-0.24189
+C	 0.2869417651	-2.0018903253	-0.5664239944	-0.333187
+C	 0.6929588285	-0.5297463394	-0.5222746591	 0.408972
+O	 0.2566666504	 0.2971394222	 0.5058712481	-0.297796
+C	 0.9632895307	 1.534824605	 0.3619694804	-0.104364
+C	 2.3797485638	 1.152231658	-0.1152183982	-0.247764
+C	 2.1386970727	-0.1248065323	-0.9200958855	 0.049167
+O	 1.7557310382	 0.0921050903	-2.301620311	-0.310781
+C	 0.4102874841	-0.3569787319	-2.0485485205	 0.033192
+H	 1.0292259719	-2.3934588615	-2.6627056736	 0.115077
+H	-0.7371438187	-2.2198561198	-2.5578108359	 0.107368
+H	-0.6986262963	-2.1518203774	-0.1186550822	 0.11748
+H	 0.9843540329	-2.7225195775	-0.1314384482	 0.101647
+H	 0.459345484	 2.1690820534	-0.3807939346	 0.106451
+H	 0.9423135522	 2.0455036725	 1.326920348	 0.112141
+H	 2.8565050806	 1.9317430951	-0.7135418381	 0.118178
+H	 3.0217675791	 0.9267254254	 0.7420618278	 0.109627
+H	 2.9439702737	-0.8608887157	-0.8337769804	 0.076759
+H	-0.3454037792	 0.2843172677	-2.5071141393	 0.079721
+19
+0 537	3.1511553	1.6871439	1.3585515	1.2861	74.01	-0.2456	0.07872	0.32432	985.7435	0.158989	-422.532963	-422.525773	-422.524828	-422.564562	28.563
+C	 2.5876883383	-0.2266031654	-0.0666357661	-0.227865
+C	 1.1856360065	 0.166372379	 0.5043199251	-0.319338
+C	 0.5902695431	-0.0834647436	-0.8757541184	 0.437703
+O	-0.6940380424	-0.6192444928	-0.9939015	-0.287373
+C	-1.0737636819	-0.3846973873	-2.334512799	-0.005953
+O	-0.5034322627	 0.8480858398	-2.7272994369	-0.261419
+C	 0.6995031699	 0.9982688325	-1.9905169245	 0.041195
+C	 1.9673533891	 0.2965904894	-2.5675294716	-0.267569
+C	 1.9392234239	-0.7203496039	-1.3986027732	-0.110118
+H	 3.2727186504	 0.6154713478	-0.1975386156	 0.10219
+H	 3.1044562617	-1.0008075855	 0.5029025482	 0.109086
+H	 0.8201024597	-0.5694610943	 1.22528173	 0.117054
+H	 1.0609058729	 1.1666214493	 0.9288315284	 0.101062
+H	-0.7117890217	-1.2043562883	-2.9797918197	 0.088153
+H	-2.1629842155	-0.3122636213	-2.3941009201	 0.121334
+H	 0.7965617745	 2.0496761567	-1.7082224715	 0.083156
+H	 1.7659460321	-0.1490169411	-3.5452772005	 0.109333
+H	 2.8618789555	 0.9213550736	-2.6454912976	 0.098835
+H	 2.0596366866	-1.7794626644	-1.627213197	 0.070535
+19
+0 538	3.1195512	1.6781508	1.2835428	1.368	73.96	-0.23583	0.05173	0.28756000000000004	1012.7634	0.158861	-422.528517	-422.521272	-422.520328	-422.560163	28.68
+C	 0.4279835929	 3.4727389692	-2.3097583097	-0.108497
+O	-0.4209432318	 2.3369622948	-2.6313215444	-0.338407
+C	 0.521603732	 1.4159599039	-2.0688698236	 0.429862
+C	 0.7268591505	 0.0688003315	-2.7467998571	-0.326524
+C	 0.6149210211	-0.9622935175	-1.5927701927	-0.20824
+C	 1.0407765349	-0.1954635567	-0.3178650558	-0.243855
+C	 0.4601656535	 1.2077988173	-0.5364119365	 0.068175
+O	 1.3832293011	 2.3110686708	-0.3072942556	-0.312048
+C	 1.5115013028	 2.5524113584	-1.7164603155	-0.009163
+H	 0.7129402191	 4.0169185185	-3.2181964925	 0.105449
+H	-0.0313314396	 4.1567477291	-1.588595919	 0.113209
+H	-0.0265379768	-0.0799119593	-3.5250309713	 0.120644
+H	 1.7072133531	 0.01928309	-3.232290427	 0.108393
+H	-0.4271837511	-1.2871514951	-1.4946496443	 0.109199
+H	 1.2143994887	-1.8604017815	-1.7616186149	 0.102845
+H	 0.6963820928	-0.6735610532	 0.6026265305	 0.104001
+H	 2.1317037489	-0.1137234565	-0.2630381789	 0.112599
+H	-0.5040374616	 1.3749711711	-0.0459956932	 0.086431
+H	 2.5466528495	 2.6672802853	-2.0445055688	 0.085928
+19
+0 539	3.1387856	1.6655189	1.3453041	1.837	73.85	-0.23474	0.06532	0.30006	990.5864	0.158907	-422.527313	-422.520085	-422.51914	-422.558929	28.615
+C	-1.317860081	-0.0496474346	 1.5969418084	-0.096058
+O	-1.27850733	 1.2097568923	 0.8726655684	-0.339197
+C	-0.3369605787	 0.6779406378	-0.0597801187	 0.46084
+C	-0.428022122	 1.0393645976	-1.5226356671	-0.339094
+C	 0.9900685437	 0.6878518235	-2.0030016456	-0.085369
+O	 1.8724230556	 0.9795777444	-0.9137945427	-0.263556
+C	 1.1739823494	 0.8112910489	 0.3044509998	 0.065322
+C	 1.1481717417	-0.6343855693	 0.902480312	-0.272232
+C	-0.3667678676	-0.7356778916	 0.5918874986	-0.152176
+H	-0.9388545817	 0.0523090671	 2.621737765	 0.102199
+H	-2.3371292317	-0.4502438114	 1.6281848445	 0.107815
+H	-1.2084937813	 0.5021684408	-2.0672637195	 0.1073
+H	-0.6176554439	 2.1153700365	-1.609299128	 0.122076
+H	 1.0507102825	-0.3779175494	-2.274496134	 0.094328
+H	 1.320880687	 1.2739924944	-2.864058105	 0.114399
+H	 1.4563418211	 1.6128663023	 0.9917723479	 0.084368
+H	 1.7604980908	-1.3240037149	 0.3163718787	 0.112081
+H	 1.430203816	-0.7212176725	 1.9554814336	 0.10115
+H	-0.7425626299	-1.6299891718	 0.0946833437	 0.075804
+19
+0 540	3.1290624	1.6532778	1.3406571	1.6041	74.	-0.23672	0.06462	0.30134	993.3472	0.159164	-422.524323	-422.517145	-422.5162	-422.555848	28.419
+C	-1.3894751719	 3.0041098912	 0.9295679734	-0.097844
+O	-1.5641891822	 1.8998577492	-0.0025954141	-0.337075
+C	-0.2418003176	 1.442256907	 0.2640939252	 0.46651
+C	 0.047515434	-0.0399928377	 0.3246652781	-0.184761
+O	 1.4610246219	-0.1235045859	 0.196602617	-0.257546
+C	 1.8666353403	 0.8631092508	-0.7623143794	-0.095651
+C	 0.934575817	 2.0609687513	-0.5725320215	-0.097972
+C	 1.2244663036	 3.0431956608	 0.6059752466	-0.253578
+C	-0.0001649286	 2.4921666359	 1.3762656738	-0.134387
+H	-1.3971046352	 3.9757579129	 0.4194188313	 0.101557
+H	-2.1696367875	 2.9935145886	 1.6980162522	 0.110228
+H	-0.2332321245	-0.5176850041	 1.2669733762	 0.111951
+H	-0.4759287616	-0.551814148	-0.5016163589	 0.098112
+H	 2.9233814286	 1.0769576721	-0.5773773952	 0.10855
+H	 1.7665334326	 0.4607767322	-1.7825659918	 0.093624
+H	 0.6414869481	 2.5292344257	-1.5131983822	 0.080548
+H	 2.169422194	 2.8291030199	 1.1135320896	 0.108224
+H	 1.1975008507	 4.1079133027	 0.3577796355	 0.099728
+H	 0.1105172082	 2.2415205253	 2.4313050643	 0.079784
+19
+0 541	3.1376337	1.6639951	1.341682	2.2574	74.07	-0.24295	0.06565	0.3086	991.9592	0.159185	-422.528386	-422.521243	-422.520299	-422.559856	28.442
+C	 1.81241745	 2.2833204154	 1.2815676592	-0.160316
+O	 1.2888653603	 1.5261721736	 2.4027558367	-0.296456
+C	 0.859620495	 0.4284040056	 1.5599816745	 0.045071
+C	-0.6490666701	 0.4631682262	 1.243783152	-0.259398
+C	-0.3757801409	 1.4348117696	 0.0506975697	-0.081999
+C	-0.5111821819	 0.8859537606	-1.3796593625	-0.24233
+C	 0.8538192337	 0.2122425748	-1.6382745785	-0.105287
+O	 1.805882988	 0.9484167844	-0.8649165462	-0.287975
+C	 1.1613470363	 1.3173554691	 0.30563205	 0.388226
+H	 1.4666550052	 3.3237436662	 1.2786716927	 0.102315
+H	 2.9097564759	 2.2586543362	 1.2536882292	 0.10784
+H	 1.3453999761	-0.5152709962	 1.8232775312	 0.075204
+H	-1.0443068166	-0.5087944531	 0.9297542216	 0.096494
+H	-1.2721585519	 0.8579916577	 2.0488084815	 0.112617
+H	-0.810440951	 2.4302668027	 0.1568908758	 0.075722
+H	-1.3446009945	 0.1886470773	-1.5020823523	 0.105812
+H	-0.6565774526	 1.7103155316	-2.0837753499	 0.111677
+H	 0.8423784631	-0.8385420792	-1.3112821544	 0.09923
+H	 1.1739847459	 0.2430572775	-2.6820070304	 0.11355
+19
+0 542	3.2183843	1.5972606	1.3175121	1.1866	74.11	-0.24384	0.06678	0.31062	1000.0771	0.159207	-422.523498	-422.516325	-422.515381	-422.555051	28.294
+C	-0.0515826342	 2.4782089322	-2.3960711053	-0.16435
+O	 0.0809848437	 3.7576265502	-1.728796407	-0.298657
+C	 0.8870350966	 3.1848551046	-0.6702655278	 0.086659
+C	 0.0961062705	 2.8924017837	 0.6186510103	-0.253421
+C	-0.3028358448	 1.4976173565	 0.0444271589	-0.083112
+C	 0.3634145105	 0.2648684106	 0.6680169521	-0.09655
+O	 1.6765657983	 0.1889886429	 0.1106288168	-0.253475
+C	 1.5751904293	 0.610547974	-1.2463179164	-0.203062
+C	 0.5960090886	 1.7603147147	-1.2151790675	 0.297975
+H	-1.0949046378	 2.2308021907	-2.6277727282	 0.102168
+H	 0.5364590289	 2.4514025044	-3.3247811732	 0.099114
+H	 1.8759514889	 3.6488117894	-0.6042328908	 0.074504
+H	 0.7343253351	 2.8236180786	 1.5053691382	 0.10538
+H	-0.7225766277	 3.5878750612	 0.8149168461	 0.11056
+H	-1.3694458853	 1.3488792723	-0.1353126404	 0.073888
+H	 0.4709916579	 0.3160109578	 1.7553589866	 0.110769
+H	-0.2093466118	-0.6427498839	 0.4173537362	 0.089584
+H	 2.578806965	 0.8821425374	-1.5862365137	 0.113728
+H	 1.1992804983	-0.2052970972	-1.8892737149	 0.088295
+19
+0 543	3.2170575	1.6116022	1.3226168	1.6839	74.	-0.24419	0.06575	0.30994	997.2385	0.158979	-422.526389	-422.519182	-422.518238	-422.55797	28.501
+C	 3.7917814024	 0.5047776209	-0.3829325023	-0.163925
+O	 4.1494879545	-0.4298608499	 0.6642530992	-0.296537
+C	 2.8969069636	-1.1432259948	 0.5361704931	 0.068424
+C	 1.8510014283	-0.7343903237	 1.5932280117	-0.274042
+C	 1.3763651197	 0.4180616487	 0.6509298623	 0.083208
+O	 0.0761554293	 0.2891452422	 0.1050318128	-0.26293
+C	 0.1400732533	-0.5329560431	-1.0592916873	-0.087558
+C	 1.5231482658	-0.275101293	-1.6849105281	-0.350676
+C	 2.3736502799	-0.057969827	-0.453344862	 0.283396
+H	 3.9014458525	 1.5508608805	-0.0693767408	 0.102315
+H	 4.393585161	 0.3377335125	-1.2869314364	 0.099585
+H	 3.0454276601	-2.2020987496	 0.3023117899	 0.071801
+H	 1.0667678649	-1.4802462066	 1.7519233856	 0.108677
+H	 2.2698392723	-0.4340899348	 2.5560081917	 0.112061
+H	 1.4798619141	 1.4339715321	 1.0422675429	 0.079476
+H	 0.0337401522	-1.5968719516	-0.7934125977	 0.094212
+H	-0.6984236936	-0.2606710831	-1.7053899429	 0.11271
+H	 1.8611045787	-1.1022122927	-2.3156386975	 0.108344
+H	 1.503146831	 0.6352888831	-2.2957256842	 0.111459
+19
+0 544	3.3560951	1.3806801	1.0245586	1.1887	77.63	-0.22648	0.02102	0.2475	1152.8978	0.159258	-422.563017	-422.555247	-422.554303	-422.595483	29.216
+C	 1.2893736177	 0.1380644962	 0.233703229	-0.166209
+O	 1.3553447913	 1.500133067	-0.1853419386	-0.268291
+C	 0.062402951	 1.9620380566	-0.574564564	-0.164529
+C	-0.846169371	 0.7811679219	-0.3880745671	 0.182504
+C	-0.1490556428	-0.2592523462	 0.062403752	 0.206462
+C	-0.769379556	-1.5970346296	 0.3191385171	-0.334295
+C	-2.1430361636	-1.6297210622	-0.3714046948	-0.074062
+O	-2.896929384	-0.4588746866	-0.1009677933	-0.245789
+C	-2.3199155843	 0.7193768794	-0.6403872646	-0.187279
+H	 1.9711960344	-0.4738942769	-0.3793257241	 0.100708
+H	 1.630963305	 0.0499705042	 1.2782582298	 0.102691
+H	-0.2309710742	 2.8223804869	 0.0494204849	 0.10266
+H	 0.0930355596	 2.3181229029	-1.6172489884	 0.1026
+H	-0.1418017889	-2.4100523647	-0.0691637565	 0.105728
+H	-0.8783798139	-1.7762063473	 1.397408607	 0.118425
+H	-2.0025708466	-1.7514998044	-1.458055071	 0.09085
+H	-2.7486414978	-2.4660240195	-0.0122873612	 0.10971
+H	-2.5290554465	 0.7929400433	-1.7239453854	 0.098727
+H	-2.8412312595	 1.5569935491	-0.1607552806	 0.11939
+19
+0 545	3.0021414	1.5884747	1.1356213	0.8243	78.68	-0.23575	0.01463	0.25038	1087.3354	0.158653	-422.536106	-422.528494	-422.527549	-422.567986	29.749
+C	-0.1328198396	 2.0480959421	 0.9498744729	-0.259645
+C	 1.2131157387	 1.2480691761	 0.9092289896	-0.328566
+C	 0.6935382357	 0.5955702732	-0.3574929788	 0.340764
+C	 0.7401746065	-0.5973800554	-0.930507044	-0.247427
+C	-0.1714920762	-0.9456658444	-2.0845535887	-0.122911
+O	-0.6646279714	 0.2072848808	-2.7579174357	-0.233313
+C	-1.7920324261	 0.8248558488	-2.2037844008	-0.004563
+O	-1.6509547527	 1.1930450704	-0.8516717965	-0.255139
+C	-0.3600281267	 1.6730791514	-0.5385267197	 0.079763
+H	-0.8773103825	 1.552922141	 1.5763457688	 0.121274
+H	-0.0877481008	 3.1098590788	 1.199024215	 0.101736
+H	 2.0730798261	 1.9035020712	 0.7333162558	 0.113433
+H	 1.4430493876	 0.5973229539	 1.7562212162	 0.113242
+H	 1.4146929816	-1.376885456	-0.5827114372	 0.088298
+H	 0.3773928832	-1.5213041651	-2.8391311958	 0.116307
+H	-1.0073157494	-1.5800245899	-1.7439738518	 0.104749
+H	-1.9573989584	 1.7053078779	-2.8419815016	 0.098251
+H	-2.6757173416	 0.169614114	-2.2286459535	 0.096704
+H	-0.0585129942	 2.4801412412	-1.2228435843	 0.077043
+19
+0 546	2.8979109	1.5550479	1.1076841	1.8835	77.56	-0.23246	0.01147	0.24393	1100.2933	0.158629	-422.526225	-422.518388	-422.517443	-422.559017	29.726
+C	 1.1920711213	 0.3000687207	-0.5136830079	-0.172469
+O	 0.795562406	 1.6507709216	-0.172689557	-0.306547
+C	-0.5141059112	 1.2017675377	 0.2824429871	 0.07496
+C	-0.8820953071	 1.6227153706	 1.7067355763	-0.247118
+C	-1.7460988656	 0.5378535699	 2.3919879189	-0.080097
+O	-2.5191805407	-0.2135740022	 1.4597665404	-0.245807
+C	-1.9673770595	-1.4708329226	 1.1181568668	-0.122215
+C	-0.6405945875	-1.3889697541	 0.4054064714	-0.252756
+C	-0.0922587855	-0.2327635181	 0.0731084407	 0.293724
+H	 1.3115426638	 0.169251719	-1.5986944638	 0.111032
+H	 2.1253479663	 0.0005407551	-0.0187520228	 0.114248
+H	-1.2890109246	 1.5309272673	-0.4221376059	 0.097337
+H	 0.0401941288	 1.7733525583	 2.2772168472	 0.112277
+H	-1.4096871201	 2.5814675859	 1.6845722553	 0.106578
+H	-1.1088946618	-0.140570661	 2.9742268567	 0.098596
+H	-2.4523133082	 1.0004546266	 3.0897168426	 0.108383
+H	-1.8546401027	-2.0978582506	 2.0214721889	 0.097593
+H	-2.7166039959	-1.9665011084	 0.4872672898	 0.120895
+H	-0.1387780158	-2.3325683056	 0.1990028651	 0.091386
+19
+0 547	2.859176	1.5672936	1.1045207	2.0261	77.76	-0.23381	0.01222	0.24603	1103.3077	0.158613	-422.523743	-422.515928	-422.514984	-422.556167	29.81
+C	 1.1330079794	 0.2903277065	-0.6043913648	-0.171368
+O	 0.8119411198	 1.6084574171	-0.0870629432	-0.305548
+C	-0.4821787177	 1.1511342786	 0.3914422874	 0.011726
+C	-0.7740811813	 1.4589992453	 1.8710390444	-0.090494
+O	-1.3804748829	 0.3785371386	 2.5615677013	-0.248586
+C	-2.3732387377	-0.3432635216	 1.8474394464	-0.090481
+C	-1.8070473609	-1.6453383177	 1.2614555165	-0.244606
+C	-0.599050757	-1.4535060464	 0.3820265758	-0.206675
+C	-0.105804753	-0.2712976735	 0.052644645	 0.295094
+H	 1.1419717909	 0.2793796575	-1.7036354868	 0.109567
+H	 2.0994428131	-0.0770953076	-0.2374490278	 0.118952
+H	-1.2714590072	 1.5629535397	-0.2544546794	 0.090689
+H	 0.1783935677	 1.6505657642	 2.3738931084	 0.122996
+H	-1.3954578658	 2.3639825784	 1.9551982551	 0.089913
+H	-3.1692085109	-0.5872045435	 2.5605404189	 0.105558
+H	-2.8280628353	 0.2734163552	 1.0600266775	 0.10091
+H	-1.5242118223	-2.3031528983	 2.0949507279	 0.119592
+H	-2.6054991759	-2.1766152772	 0.7224179477	 0.103975
+H	-0.0877789631	-2.3565308052	 0.0528894295	 0.088783
+19
+0 548	3.497066	1.6803792	1.4942479	1.7761	72.75	-0.24717	0.08067	0.32784	938.165	0.160605	-422.55919	-422.552553	-422.551608	-422.590071	27.13
+C	 1.4402703791	 0.3513558117	-1.2116993351	-0.236796
+C	-0.1105433095	 0.2286909023	-1.1284242814	-0.234807
+C	-0.0648092637	 0.5890200401	 0.380206491	-0.042568
+C	 1.5020883372	 0.7301704092	 0.2934205258	-0.013627
+C	 1.9385804969	-0.3889858176	 1.2486108108	 0.021509
+C	 1.5622049356	 0.025405116	 2.6856009352	-0.087092
+O	 0.129248012	-0.1063937474	 2.6659374346	-0.276878
+C	-0.1651761162	-0.5896322471	 1.3556503856	 0.182044
+O	 0.9430397938	-1.407336892	 1.0176995903	-0.258719
+H	 1.9602777684	-0.5759244606	-1.4636755596	 0.106223
+H	 1.792749885	 1.1398734195	-1.8804935225	 0.098736
+H	-0.6498670549	 0.9568665389	-1.7385194743	 0.099586
+H	-0.5065205951	-0.7664600459	-1.3463928255	 0.104624
+H	-0.6530703123	 1.444535556	 0.7109202815	 0.079575
+H	 1.9484616303	 1.6960755418	 0.5345006033	 0.071697
+H	 2.9371037099	-0.8030142504	 1.1105754749	 0.087422
+H	 1.9831153332	-0.6513129461	 3.4380001293	 0.105817
+H	 1.8461674667	 1.055992598	 2.9250342774	 0.101873
+H	-1.0872292863	-1.1714336264	 1.3715997187	 0.09138
+19
+0 549	3.4105272	1.6804101	1.509573	0.2299	72.75	-0.24091	0.08224	0.32315	928.674	0.160958	-422.55266	-422.546187	-422.545243	-422.583214	26.866
+C	-0.206331227	 1.2777652717	-0.7412092317	-0.113417
+O	-0.0555992756	-0.146131944	-0.526312754	-0.304371
+C	 1.1504338448	 0.0470321561	 0.2450529845	 0.13836
+C	 1.134804907	 1.5768321866	-0.0492625503	-0.062321
+C	 2.3957258818	 1.7309136751	-0.9189856664	 0.08726
+C	 2.4690707251	 0.4174469866	-1.7129943555	-0.248944
+C	 2.4399426055	-0.4435514478	-0.4327107072	-0.078201
+C	 3.5843234753	 0.2243937943	 0.3549971133	-0.07971
+O	 3.5098559985	 1.6176509189	-0.016164106	-0.281577
+H	-0.2848174598	 1.5287565684	-1.8066616827	 0.101134
+H	-1.0871530443	 1.6714257325	-0.2187740105	 0.103559
+H	 1.0350572562	-0.3036142103	 1.2763760397	 0.074572
+H	 1.1228028346	 2.2797798839	 0.7825347266	 0.086383
+H	 2.4936946554	 2.6674497432	-1.4691012311	 0.076262
+H	 1.6205845666	 0.2299023341	-2.3713767635	 0.120615
+H	 3.4014163836	 0.3330413965	-2.2755506246	 0.103578
+H	 2.5312306951	-1.5238042681	-0.5476543514	 0.075265
+H	 3.4690359867	 0.1260838376	 1.4421497475	 0.09941
+H	 4.5674686607	-0.1734364154	 0.0752386033	 0.102144
+19
+0 550	3.4636605	1.6816755	1.4936607	2.5865	72.68	-0.24101	0.07579	0.31679999999999997	937.7726	0.160901	-422.558127	-422.551563	-422.550618	-422.588858	26.943
+C	-0.184918739	 1.3145757169	-0.7834920234	-0.093325
+O	-0.4200519219	-0.0184110464	-0.2744339233	-0.296797
+C	 0.8790636458	-0.0709567599	 0.3339595166	 0.141755
+C	 1.2269176192	 1.3619167214	-0.1670566193	-0.084447
+C	 1.3580640743	 2.1172406145	 1.1641757586	 0.059754
+C	 2.6840995797	 1.7019912616	 1.8426980993	-0.220164
+C	 2.3335177816	 0.2595453918	 2.3263173633	-0.228226
+C	 0.8650340004	 0.133218741	 1.8550379423	 0.034672
+O	 0.3719375333	 1.4766974337	 1.9883112489	-0.261892
+H	-0.2178000207	 1.3370313768	-1.8796702483	 0.096488
+H	-0.9015597174	 2.0380813274	-0.3788708814	 0.109628
+H	 1.4628919337	-0.9359626141	 0.0033059251	 0.075414
+H	 2.062607433	 1.4993418544	-0.8525536414	 0.079886
+H	 1.1575391831	 3.1886516096	 1.1254480818	 0.079872
+H	 3.5354476443	 1.7307420828	 1.15763087	 0.099229
+H	 2.9050471779	 2.3612644371	 2.6847308759	 0.10836
+H	 2.9807682291	-0.5069968983	 1.8909543688	 0.101505
+H	 2.3969600821	 0.1744384594	 3.4126785038	 0.111495
+H	 0.2274923715	-0.5504748596	 2.4146870028	 0.086792
+19
+0 551	3.4066816	1.6807129	1.5106092	2.1903	72.64	-0.23323	0.0787	0.31193	929.0401	0.160958	-422.552121	-422.545645	-422.544701	-422.58268	26.871
+C	-0.5011113834	 1.1688633296	-0.0447900647	-0.114208
+O	-0.1133377966	-0.2257661194	-0.075546062	-0.303063
+C	 1.2836356297	 0.1111564389	 0.0719311634	 0.129293
+C	 0.9654445773	 1.6344443273	 0.0116555394	-0.046859
+C	 1.6542880832	 2.0703244519	-1.2980021454	-0.071815
+C	 3.1644791782	 1.9616722225	-1.016589818	-0.069797
+O	 3.3963071163	 0.542220727	-0.8877218358	-0.283259
+C	 2.1439017686	-0.1021821018	-1.1841431093	 0.078127
+C	 1.490367667	 0.8302081305	-2.208653071	-0.251114
+H	-1.0798598096	 1.4588019924	-0.9309941104	 0.101102
+H	-1.0882200379	 1.400499318	 0.8526106218	 0.103153
+H	 1.7300519238	-0.3164670185	 0.9739052808	 0.080452
+H	 1.2353252036	 2.2586780978	 0.8644440491	 0.079069
+H	 1.3387468015	 3.0326366721	-1.7037668891	 0.070425
+H	 3.7712592365	 2.3583027595	-1.8413525667	 0.096635
+H	 3.46642099	 2.4644869121	-0.0902300021	 0.099193
+H	 2.3357277105	-1.1351966086	-1.474040514	 0.078824
+H	 2.0632965691	 0.8992822477	-3.1362069661	 0.103364
+H	 0.4576522522	 0.5627680012	-2.4339651596	 0.120476
+19
+0 552	3.8471162	1.4407775	1.2093438	1.5189	73.74	-0.24959	0.07176	0.32135	1048.859	0.159406	-422.528185	-422.521028	-422.520084	-422.560033	27.947
+C	-1.6094686508	 1.3773171329	 1.0144514116	-0.231329
+C	-1.3735945234	-0.1610185263	 1.1073540525	-0.231329
+C	-0.2505843283	-0.0632661282	 0.0420927795	-0.064939
+C	-0.4894319585	 1.4947601809	-0.0519590823	-0.06494
+C	-0.9947265398	 1.3231061797	-1.5089076328	 0.08362
+O	-0.106462634	 1.7541449953	-2.5234352295	-0.257003
+C	 0.8690365917	 0.7451744844	-2.6629883884	 0.007845
+O	 0.2367297239	-0.4851967412	-2.3882733909	-0.256998
+C	-0.7577859841	-0.2227590206	-1.4155824474	 0.083619
+H	-2.6035078073	 1.6943234316	 0.6827143367	 0.09703
+H	-1.381495104	 1.9062105719	 1.9423903545	 0.106621
+H	-1.0148186218	-0.484735092	 2.0867721668	 0.106621
+H	-2.2215148725	-0.7970600218	 0.8332412237	 0.097029
+H	 0.7093113029	-0.5323943539	 0.2610036774	 0.073801
+H	 0.2825496243	 2.2513516065	 0.0930089531	 0.073801
+H	-1.9878553059	 1.7175147741	-1.7373291369	 0.084068
+H	 1.2336296456	 0.7388133978	-3.6941021344	 0.120384
+H	 1.7082086635	 0.9158464708	-1.9660871931	 0.08803
+H	-1.5836705315	-0.9195697019	-1.57808849	 0.084068
+19
+0 553	3.8186576	1.4283383	1.2039812	2.7271	73.6	-0.23139	0.06411	0.2955	1050.2294	0.159574	-422.526021	-422.518938	-422.517994	-422.557608	27.84
+C	 1.1337686381	 2.2798917691	 2.3147029731	-0.088198
+O	 2.3886441518	 1.6260540765	 2.0086427249	-0.290994
+C	 2.1119377256	 1.6530540194	 0.5949469688	 0.088706
+C	 0.6944341296	 2.2513133529	 0.8429210373	-0.094921
+C	 0.053492095	 0.9090062632	 0.3932730526	-0.048992
+C	-0.6034173779	 0.914389696	-0.9927311504	-0.246354
+C	 0.5986804556	 0.8662064097	-1.9488307021	-0.086011
+O	 1.5820642552	 0.0804921368	-1.2809060397	-0.253831
+C	 1.4848905035	 0.3218187507	 0.1081838686	 0.080441
+H	 0.5242868652	 1.7049052993	 3.0238435376	 0.100129
+H	 1.3021746172	 3.2853828136	 2.7208971693	 0.101843
+H	 2.9168674069	 2.0935989486	-0.0002573445	 0.080932
+H	 0.3136812812	 3.172572767	 0.4011790956	 0.073656
+H	-0.5584294521	 0.4133973834	 1.1496445236	 0.074794
+H	-1.2142087866	 0.0148273963	-1.1158702827	 0.110556
+H	-1.2430822397	 1.785122658	-1.163131563	 0.102285
+H	 0.3822115828	 0.3860505631	-2.9066607938	 0.111284
+H	 0.9804383226	 1.87864975	-2.1538828377	 0.094872
+H	 1.828717016	-0.5638416836	 0.6464994025	 0.089802
+19
+0 554	3.8811749	1.4027959	1.1935546	1.3751	73.89	-0.24101	0.0653	0.30630999999999997	1054.7179	0.159636	-422.52496	-422.517921	-422.516977	-422.556531	27.66
+C	-2.3973745028	 2.0777386143	-1.4753691575	-0.09527
+O	-1.5563145707	 2.2108140069	-2.6465003933	-0.29619
+C	-0.6689490148	 1.1746970449	-2.182713965	 0.129336
+C	-1.4624038685	 1.0273453516	-0.8550237493	-0.074632
+C	-0.2594683561	 1.6172316112	-0.0741589451	-0.0471
+C	 0.5511690593	 0.5929145684	 0.7248959524	-0.105394
+O	 1.265821979	-0.1746592758	-0.2355252464	-0.249553
+C	 1.7063975598	 0.7489970048	-1.2253364418	-0.104606
+C	 0.5532284431	 1.7366672986	-1.4229415459	-0.064311
+H	-2.5083357014	 3.0238496159	-0.929489139	 0.098165
+H	-3.3931342971	 1.7028433657	-1.7443383187	 0.102014
+H	-0.506994562	 0.3908171113	-2.9289663685	 0.075635
+H	-1.8996634113	 0.0983973714	-0.4892317723	 0.078779
+H	-0.4643339943	 2.5278137664	 0.493249475	 0.073508
+H	 1.2483492291	 1.1106050625	 1.4048380377	 0.088157
+H	-0.0603830787	-0.0963977127	 1.3145654849	 0.107725
+H	 2.6095736433	 1.281612094	-0.8847557528	 0.090273
+H	 1.9597879219	 0.1781077881	-2.1236992424	 0.109521
+H	 0.8727953421	 2.7238263925	-1.7594887618	 0.083944
+19
+0 555	3.8189422	1.4260507	1.2016485	0.9657	73.74	-0.24231	0.06339	0.30569999999999997	1050.7479	0.159582	-422.526451	-422.519381	-422.518437	-422.558021	27.833
+C	 1.3933410152	-2.1487150548	-2.4512170724	-0.092048
+O	 2.1479931712	-1.1187182195	-3.1331612558	-0.292443
+C	 2.1084925563	-0.258774528	-1.9774991998	 0.111385
+C	 1.2305492696	-1.2792050909	-1.1948322668	-0.116414
+C	 0.0365232617	-0.2853966159	-1.2614326299	 0.103879
+O	-0.3212924276	 0.2981443004	-0.0251422668	-0.257959
+C	 0.6239285067	 1.3182633149	 0.2834707591	-0.090296
+C	 1.0142141221	 1.938118123	-1.0681170304	-0.243448
+C	 0.9344624538	 0.7489508164	-2.0339505853	-0.070809
+H	 0.4724373787	-2.4165910061	-2.9863646115	 0.099761
+H	 1.9971052076	-3.0531603153	-2.3077670985	 0.104484
+H	 3.1001779248	 0.1035320292	-1.6882643191	 0.071963
+H	 1.4629490953	-1.7097701024	-0.2217805034	 0.084261
+H	-0.8757873848	-0.6664897002	-1.727935342	 0.080817
+H	 0.1435119987	 2.0191845208	 0.9708432265	 0.111565
+H	 1.5050931475	 0.8938574844	 0.7899511282	 0.094224
+H	 0.2845996351	 2.7002117598	-1.3572899229	 0.1122
+H	 2.0024750341	 2.406716953	-1.0454474823	 0.104244
+H	 0.6467728642	 1.024393631	-3.049140957	 0.084634
+19
+0 556	3.9153322	1.303849	1.1846974	1.4652	74.88	-0.24423	0.08741	0.33164	1093.3292	0.158526	-422.518169	-422.510473	-422.509528	-422.55096	29.139
+C	 0.9277986696	 3.9544967532	 1.7375296394	-0.229703
+C	 1.4548466267	 2.8523662601	 2.7125830349	-0.229735
+C	 0.3813055902	 1.887733686	 2.1977117715	-0.144502
+C	-0.142369554	 2.9838023674	 1.2210886033	-0.159889
+C	 0.479382434	 1.7417646013	 0.7082477145	 0.427778
+C	-0.3368581231	 0.6592787396	-0.0053813338	-0.16218
+O	 0.6218452492	-0.0251380274	-0.8080301937	-0.253314
+C	 1.8924610225	 0.4427306278	-0.4082520089	 0.011574
+O	 1.7154553389	 1.7679895459	 0.0259998316	-0.277424
+H	 0.4958690572	 4.8032229219	 2.2712757906	 0.10397
+H	 1.6297951976	 4.3251121393	 0.9867216118	 0.113922
+H	 2.4878669833	 2.5260430889	 2.5667968815	 0.106936
+H	 1.3124629069	 3.1245929122	 3.760116286	 0.1034
+H	-0.1788684247	 1.1793978298	 2.7994159732	 0.083807
+H	-1.1615888797	 3.252100583	 0.9621564728	 0.086129
+H	-0.8175694796	-0.0281328884	 0.7031364617	 0.105371
+H	-1.1045177372	 1.0770703305	-0.6666191502	 0.112465
+H	 2.2962306891	-0.1838094607	 0.407825431	 0.083136
+H	 2.5693189331	 0.4321118795	-1.2669076773	 0.118258
+19
+0 557	3.8622219	1.3167861	1.1842622	2.3672	75.19	-0.21651	0.07379	0.2903	1096.5197	0.158338	-422.508294	-422.500619	-422.499675	-422.541173	29.241
+C	 0.2013459524	 3.8887806332	 0.9870987557	-0.090933
+O	-0.7144305844	 3.5918464847	-0.1010423497	-0.282986
+C	-0.826745945	 2.2444595546	 0.3356172567	 0.009538
+C	 0.1831253656	 2.4410300414	 1.4757259263	-0.258116
+C	 0.5004954305	 1.5336445865	 0.3331603023	 0.46449
+C	 0.5068911967	 0.0137643352	 0.5077365341	-0.317042
+C	 1.3269759418	-0.4670547526	-0.7203896848	-0.215055
+C	 1.5292002377	 0.8247767507	-1.5361250954	-0.091957
+O	 1.513106808	 1.8732389753	-0.5738298892	-0.281446
+H	 1.157697502	 4.2825431195	 0.6300241259	 0.121101
+H	-0.2615463353	 4.5891307506	 1.6905957269	 0.106496
+H	-1.8012719809	 1.7675798812	 0.2831664824	 0.09705
+H	 0.1794842419	 2.1217685862	 2.5108198547	 0.095709
+H	 0.9886941473	-0.2798177944	 1.4449163557	 0.11069
+H	-0.5073594826	-0.3958646957	 0.5185134737	 0.109066
+H	 2.291628736	-0.8686430195	-0.4003951895	 0.112207
+H	 0.8166011073	-1.2437777057	-1.2945001254	 0.105165
+H	 2.4827834117	 0.8709473599	-2.0668581181	 0.10769
+H	 0.7152147892	 0.9617738792	-2.2640032623	 0.098334
+19
+0 558	3.9305829	1.2489073	1.127	1.5454	74.75	-0.23585	0.07298	0.30883	1117.6632	0.158275	-422.507198	-422.499485	-422.498541	-422.54004	29.213
+C	-1.5789981864	 2.1068156014	 1.7928746772	-0.097209
+O	-1.9402079899	 0.7306681333	 1.4848883724	-0.28438
+C	-0.5619841839	 0.3577215864	 1.4961419895	 0.039432
+C	-0.0904388559	 1.7812735227	 1.7168560857	-0.223734
+C	 0.2107041117	 1.0663846287	 0.4200597873	 0.292912
+C	-0.3653989776	 1.3588197163	-0.95449797	-0.31609
+C	 0.4303131131	 0.3636459125	-1.8044450119	-0.070843
+O	 1.7343679118	 0.3207475708	-1.228325218	-0.260647
+C	 1.6489474757	 0.6123974831	 0.1629529363	-0.130843
+H	-1.9872530784	 2.8188506585	 1.0664910257	 0.109193
+H	-1.916744322	 2.3694383968	 2.8011829763	 0.113397
+H	-0.2914794212	-0.5926439912	 1.9445487224	 0.106156
+H	 0.6809163894	 2.1799053019	 2.3638571083	 0.099098
+H	-1.4440121899	 1.1936477533	-0.9930170484	 0.1223
+H	-0.1517846625	 2.3880096547	-1.2650338713	 0.103838
+H	-0.0391497372	-0.6322963182	-1.7736372083	 0.093944
+H	 0.5382245615	 0.659789134	-2.8516683827	 0.106597
+H	 1.9141679594	-0.2733599176	 0.7602191082	 0.095996
+H	 2.3788760122	 1.4002017824	 0.3933400115	 0.100883
+19
+0 559	2.8067308	1.8442276	1.528566	0.9211	73.24	-0.24527	0.06593	0.3112	937.0904	0.159575	-422.528892	-422.521884	-422.52094	-422.560393	27.877
+C	 0.729891858	 1.2326929112	 0.2819922977	-0.249461
+C	 0.7625881812	 1.0622010198	 1.8283150039	-0.229748
+C	 1.800177915	-0.0845880177	 1.6661300672	-0.074658
+C	 1.9884930478	 0.3187723382	 0.1790416793	 0.12138
+O	 1.9427037094	-0.8405403766	-0.6406917328	-0.27168
+C	 1.4507173963	-1.9448519122	 0.0881262352	 0.061236
+C	-0.0763383644	-2.1535778756	 0.0738558096	-0.102779
+O	-0.2048242341	-1.5835240256	 1.3973763314	-0.289718
+C	 1.2330198942	-1.5032279935	 1.5597210928	 0.077559
+H	-0.1482022961	 0.7750026437	-0.1764798524	 0.115335
+H	 0.8410917575	 2.2476160223	-0.1065913464	 0.097228
+H	 1.187791591	 1.9256632143	 2.3444081779	 0.098786
+H	-0.1785542942	 0.7846901415	 2.302696243	 0.121075
+H	 2.6795834899	-0.0646855379	 2.313171274	 0.070495
+H	 2.9033767852	 0.8630603472	-0.0688925396	 0.08063
+H	 2.0667474933	-2.8189618562	-0.1346451326	 0.085933
+H	-0.6245194815	-1.5895765578	-0.6877035698	 0.110901
+H	-0.3932126573	-3.2040765303	 0.0580935346	 0.100588
+H	 1.5768026787	-2.174250075	 2.3529957971	 0.0769
+19
+0 560	2.7917852	1.8204107	1.4786281	3.33	72.78	-0.23718	0.04832	0.2855	943.3033	0.159738	-422.520558	-422.513459	-422.512514	-422.552537	27.57
+C	 0.3517854494	 0.9368569581	 3.5487782363	-0.078347
+O	-0.4296913659	-0.1773722167	 3.071598018	-0.274018
+C	-0.1303071798	 0.1377392983	 1.6958601186	 0.092944
+C	 0.5863813901	 1.4542695456	 2.1161021813	-0.07282
+C	-0.2843112805	 2.6375709715	 1.6355377981	-0.266219
+C	-1.5648731679	 2.0382472728	 1.03224139	-0.062398
+C	-2.7557464155	 1.6139623007	 1.9278888122	-0.088235
+O	-2.6294256672	 0.2348652881	 1.5181878401	-0.272269
+C	-1.3811270034	 0.5101359434	 0.8617109276	 0.103734
+H	-0.2211892848	 1.5896602991	 4.2194893769	 0.098605
+H	 1.2575779146	 0.6006627332	 4.0698766871	 0.10003
+H	 0.4770735865	-0.6468701772	 1.2303992096	 0.070913
+H	 1.6342782187	 1.5671582512	 1.8355674444	 0.078217
+H	-0.4976431897	 3.3397060534	 2.4495093347	 0.105302
+H	 0.2515004876	 3.2057766008	 0.8684716766	 0.104542
+H	-1.8925884484	 2.5679147878	 0.1366411244	 0.081051
+H	-2.5946633032	 1.7351122322	 3.0065138668	 0.104257
+H	-3.7351817767	 2.0263108542	 1.6611887484	 0.102009
+H	-1.3459903239	 0.0830601632	-0.1463957711	 0.072704
+19
+0 561	3.5905403	1.4805068	1.2317141	0.6213	73.69	-0.24821	0.06427	0.31248	1034.9109	0.159653	-422.530948	-422.523827	-422.522883	-422.562806	27.647
+C	-0.2246127001	 4.4175460351	-0.1203198495	-0.083447
+O	 0.8268158764	 3.9532099533	 0.7558220203	-0.301808
+C	 1.1148044522	 2.8440141442	-0.1274073746	 0.136015
+C	-0.2022274611	 3.0967636341	-0.9136641489	-0.07602
+C	-1.2034545017	 2.0236594011	-0.4235195273	-0.252847
+C	-0.3713217149	 0.9320795236	 0.2520303775	 0.136483
+O	 0.1786164038	-0.0159446736	-0.6980933278	-0.295939
+C	 1.5301163276	 0.3113050239	-0.3148582044	-0.087291
+C	 1.0476995399	 1.4861300763	 0.555282959	-0.112043
+H	-1.1436349101	 4.6570479189	 0.4276040851	 0.10276
+H	 0.0918968442	 5.2984118437	-0.6948723122	 0.097494
+H	 2.0566588123	 3.0060486544	-0.668614249	 0.072759
+H	-0.1442444864	 3.1770250687	-1.9989120485	 0.081281
+H	-1.9079589938	 2.4511676308	 0.2987788003	 0.102543
+H	-1.7912211203	 1.5919498613	-1.2381078983	 0.116962
+H	-0.9022400128	 0.4138489081	 1.0586131069	 0.073691
+H	 2.0067358306	-0.5059637731	 0.2415624182	 0.099937
+H	 2.1562789218	 0.5633475553	-1.1806865356	 0.098823
+H	 1.3966986725	 1.5283246038	 1.587425509	 0.090647
+19
+0 562	3.5955039	1.4590062	1.195044	1.8132	73.57	-0.24309	0.06291	0.306	1048.6737	0.159448	-422.528907	-422.52163	-422.520686	-422.561637	27.704
+C	 1.3387152884	 0.0858355698	-0.201792107	-0.091758
+O	 0.0329391797	-0.1121587917	 0.3741631913	-0.29203
+C	-0.4745147308	 1.1050046173	-0.2275961652	 0.129301
+C	-0.8984041421	 2.1442344914	 0.8200643804	-0.258038
+C	 0.2701478541	 3.1311128226	 0.9533037911	 0.129306
+O	 0.0664656531	 4.3379617597	 0.1766767265	-0.292038
+C	 1.2109176205	 4.0592916491	-0.6531141483	-0.091746
+C	 1.4306723363	 2.6869043497	 0.0131397446	-0.085513
+C	 0.9426654312	 1.4641033024	-0.7667491411	-0.08547
+H	 2.1317083532	 0.0816875205	 0.5575625439	 0.097664
+H	 1.5695950713	-0.6743646844	-0.9592235799	 0.09912
+H	-1.253440305	 0.8791594501	-0.9639263913	 0.076253
+H	-1.7928833048	 2.6966908842	 0.5181367521	 0.116287
+H	-1.1148586904	 1.628270343	 1.7599544821	 0.116285
+H	 0.5246746596	 3.3746410504	 1.9905265357	 0.076243
+H	 0.9553700588	 4.0456923293	-1.7208119349	 0.097671
+H	 2.0181264312	 4.7853412085	-0.4912948194	 0.099111
+H	 2.4135586494	 2.5374042522	 0.4640611344	 0.079674
+H	 1.0556596165	 1.5774079357	-1.846628955	 0.079678
+19
+0 563	3.0623761	1.7948451	1.5040007	2.9241	72.9	-0.22861	0.07759	0.3062	932.8769	0.160308	-422.532442	-422.525715	-422.524771	-422.563339	27.404
+C	 1.1603133536	 0.9354417789	-1.1639154553	-0.075518
+O	 0.3807907651	-0.1726725306	-0.6639284093	-0.297176
+C	 0.5843544326	 0.2439541456	 0.6974421766	 0.135415
+C	 1.2773557788	 1.5649748976	 0.2444688544	-0.062969
+C	 2.6833885696	 1.8249605506	 0.8285292479	-0.249494
+C	 3.1572609109	 0.5872508291	 1.5914231233	 0.104766
+C	 2.1317062817	 0.1289767337	 2.6525642308	-0.260587
+C	 1.555916703	-0.6488197044	 1.4528299034	 0.061423
+O	 2.8516636356	-0.592571704	 0.7910306108	-0.295082
+H	 2.113015466	 0.5991912064	-1.588594786	 0.109399
+H	 0.6066839857	 1.5165502211	-1.9111386881	 0.095052
+H	-0.363886563	 0.3367000874	 1.2439403565	 0.072104
+H	 0.6340075597	 2.4390698487	 0.3538803889	 0.081472
+H	 3.3876185113	 2.0512822387	 0.0196372931	 0.107763
+H	 2.6827901306	 2.6907090834	 1.5011693852	 0.099118
+H	 4.2125871642	 0.6330340871	 1.8728827303	 0.077238
+H	 2.5725427905	-0.525394135	 3.4054797667	 0.114197
+H	 1.5039524502	 0.887213128	 3.1285945645	 0.098785
+H	 1.198157454	-1.6746813222	 1.5730697563	 0.084095
+19
+0 564	3.0462036	1.8049056	1.5161768	1.2376	73.34	-0.24397	0.07389	0.31786	928.6626	0.159846	-422.525729	-422.518946	-422.518002	-422.556727	27.708
+C	-0.2644068805	 1.3097769745	-0.0878595783	-0.100388
+O	-0.0070378637	-0.0946433465	-0.3150112418	-0.301775
+C	 1.402363463	 0.0618192569	-0.0328576638	 0.11268
+C	 2.324707103	-0.1910919607	-1.217275261	-0.052011
+C	 3.5855820177	 0.694044497	-0.972930987	-0.250674
+C	 2.7378152394	 1.8548009489	-1.5674135331	 0.126504
+C	 1.9573186414	 0.7804855659	-2.3713598569	-0.250479
+O	 1.9306486316	 2.4768338944	-0.5740011273	-0.283655
+C	 1.2177034745	 1.5773273818	 0.25557401	 0.055955
+H	-0.6198394538	 1.8260571555	-0.9870674445	 0.107676
+H	-0.9764125834	 1.4653811482	 0.7313274977	 0.101645
+H	 1.7027153336	-0.5429943767	 0.8325678398	 0.076572
+H	 2.4401480423	-1.2548859997	-1.4351686052	 0.069794
+H	 3.9522251364	 0.8134684978	 0.050766469	 0.100007
+H	 4.413914541	 0.4205958061	-1.6305123715	 0.105432
+H	 3.2369379781	 2.669620684	-2.0933588889	 0.078199
+H	 0.9021589854	 0.9560713568	-2.5858872388	 0.11311
+H	 2.480973507	 0.5207923049	-3.2948312218	 0.10111
+H	 1.3836628669	 1.8805985009	 1.2924144834	 0.090296
+19
+0 565	3.0961838	1.7737065	1.4948292	2.7263	73.18	-0.23331	0.0756	0.30891	936.182	0.160161	-422.532688	-422.5259	-422.524956	-422.56378	27.462
+C	-0.1916772626	 1.1347593789	 0.5765549785	-0.08572
+O	 0.0183659941	-0.1538636587	-0.0341085072	-0.289307
+C	 1.305627601	 0.2338417915	-0.563710259	 0.138817
+C	 1.3801895678	 0.1200371819	-2.1016294256	-0.243538
+C	 1.2090285387	 1.4976850975	-2.740666688	 0.097023
+C	 2.1657134469	 2.5427251764	-2.1244761759	-0.254143
+C	 1.0071031146	 2.6970293624	-1.1187731313	 0.073074
+O	 0.0797262886	 2.1743290373	-2.1116563207	-0.292002
+C	 1.1324178743	 1.6774001534	 0.0028583095	-0.082811
+H	-1.0988218127	 1.6194629356	 0.1986959393	 0.112288
+H	-0.2380952908	 1.0672227328	 1.6703465422	 0.093848
+H	 2.1027801948	-0.3502040651	-0.0880869153	 0.073006
+H	 2.3327568121	-0.3188688994	-2.4219750918	 0.094304
+H	 0.5774642929	-0.5501162217	-2.4248907609	 0.124676
+H	 1.1084361255	 1.4585689692	-3.8283174991	 0.07819
+H	 3.1367476148	 2.2063893393	-1.7518747217	 0.09754
+H	 2.2846913939	 3.4211147412	-2.7600552483	 0.112091
+H	 0.7217161714	 3.6956685428	-0.7745172286	 0.076445
+H	 1.8781488847	 1.9867279346	 0.739501444	 0.076219
+19
+0 566	3.2972393	1.7297783	1.7221589	1.7795	72.83	-0.23027	0.08647	0.31674	894.9243	0.161343	-422.574821	-422.568487	-422.567543	-422.605138	26.684
+C	 1.4061352886	 0.2575712851	 1.3627375267	-0.220395
+C	 0.9939126964	 0.1589771502	-0.1435631006	-0.237262
+C	 1.2235004801	 1.5870102472	-0.6695479788	-0.057838
+C	 0.2044495628	 2.6017265592	-0.1041421803	 0.0636
+C	 0.9271259621	 3.9295732589	-0.3159244694	-0.077816
+O	 2.2864146589	 3.6013140968	 0.0378479251	-0.288723
+C	 2.3122936897	 2.1964075141	 0.2430994458	 0.106824
+C	 1.5702947448	 1.7679455614	 1.5301522818	 0.081601
+O	 0.2582559745	 2.3502200225	 1.3168878061	-0.301696
+H	 0.642412338	-0.1305020946	 2.0396156662	 0.110779
+H	 2.3428402673	-0.2738181487	 1.5650028042	 0.0958
+H	 1.6118200703	-0.5610954592	-0.6867547919	 0.101837
+H	-0.0469895491	-0.1535522729	-0.264267161	 0.107959
+H	 1.3954361198	 1.6812351344	-1.7421636537	 0.074309
+H	-0.8289556513	 2.5478636196	-0.4488675644	 0.079115
+H	 0.8838206164	 4.2928919826	-1.3528073328	 0.090061
+H	 0.5469019126	 4.7032722542	 0.3578695918	 0.111351
+H	 3.3355651787	 1.8330821898	 0.1454064015	 0.082914
+H	 1.9720825492	 2.1253115694	 2.4788470338	 0.077579
+19
+0 567	3.338083	1.7243642	1.7060034	2.571	72.51	-0.24515	0.08461	0.32976	895.6	0.161691	-422.586028	-422.579745	-422.5788	-422.616321	26.478
+C	 1.6223586585	-0.0932483935	-0.0637426528	-0.217742
+C	 0.9549662759	 0.4350146026	-1.3715110304	-0.235454
+C	 1.1007979161	 1.9642277446	-1.2534156404	-0.062491
+C	 0.2261208445	 2.567691941	-0.138316919	 0.21424
+O	 0.7566883332	 3.8556406709	 0.0748929186	-0.260034
+C	 2.1852999734	 3.654581796	 0.0890648165	-0.099078
+C	 2.3560944195	 2.2002696571	-0.3702259464	-0.085301
+C	 1.843665798	 1.2124767089	 0.7030493026	 0.105645
+O	 0.5211928142	 1.7428917906	 0.990351154	-0.295367
+H	 0.9811798791	-0.7729773444	 0.501201868	 0.109607
+H	 2.5695218085	-0.6049080843	-0.2661662548	 0.093619
+H	 1.4639603805	 0.0649561821	-2.2655631992	 0.101642
+H	-0.0939443181	 0.1352719186	-1.4505109443	 0.107768
+H	 1.0447416284	 2.5246310396	-2.1866719915	 0.075257
+H	-0.8528898959	 2.6434868734	-0.2682723588	 0.088289
+H	 2.6540060675	 4.3708723544	-0.5951924112	 0.10345
+H	 2.577030714	 3.8283983342	 1.0988951325	 0.105136
+H	 3.3276660879	 1.9532046801	-0.7987417685	 0.076623
+H	 2.4094871247	 1.1465242782	 1.634137195	 0.074191
+19
+0 568	3.2793413	1.7147072	1.7074298	1.8342	72.43	-0.22977	0.08701	0.31678	892.9004	0.161704	-422.572607	-422.566359	-422.565415	-422.602846	26.421
+C	 1.229171732	 2.937235471	 0.9745834582	-0.078493
+O	 1.3453646873	 2.9577141023	-0.4616795028	-0.288937
+C	 0.7476398317	 1.7575018375	-0.9335686633	 0.118934
+C	 1.6422750918	 0.5042810819	-0.7509253066	 0.080454
+C	 1.9963988711	 0.5998254059	 0.7567337281	-0.234093
+C	 0.8252540389	 1.4919197381	 1.2713876227	-0.063141
+C	-0.2397304025	 1.2813035308	 0.1537469785	-0.067818
+C	-0.4654561391	-0.1869044326	-0.2089923983	-0.110531
+O	 0.7217160874	-0.5703250289	-0.9338719598	-0.273174
+H	 2.1926342931	 3.2142397871	 1.4160854588	 0.103453
+H	 0.4728899485	 3.667280919	 1.2977205632	 0.091186
+H	 0.3695635427	 1.9058648031	-1.9450691189	 0.083355
+H	 2.4768772865	 0.3680041558	-1.4378012135	 0.078009
+H	 2.0038838963	-0.4016586005	 1.1930425014	 0.108218
+H	 2.9698409032	 1.0623211593	 0.9412919486	 0.10289
+H	 0.5051012317	 1.3070865012	 2.2975143323	 0.069735
+H	-1.1490493019	 1.8708907066	 0.2772589367	 0.074947
+H	-0.5973521829	-0.8291622113	 0.672799248	 0.098036
+H	-1.3350720058	-0.3246022264	-0.8617133032	 0.106971
+19
+0 569	3.252846	1.7299345	1.7188391	0.9906	72.52	-0.23168	0.08914	0.32082	891.4967	0.16162	-422.570852	-422.564592	-422.563648	-422.601103	26.458
+C	-1.1340929595	 1.1823171641	-2.776969202	-0.08185
+O	-1.5645298263	 1.2971438957	-1.4018051739	-0.291104
+C	-0.3929116892	 1.2349835774	-0.6054222142	 0.109615
+C	 0.1804014915	-0.1996887476	-0.4268466506	-0.084493
+C	 1.5955414936	 0.1500911365	 0.0289257093	-0.081849
+O	 1.9738450069	 1.2280753022	-0.8567252498	-0.291103
+C	 0.7863008808	 1.6549886871	-1.5034341615	 0.109624
+C	 0.3164850596	 0.72028466	-2.6542879383	-0.084499
+C	 0.2882491666	-0.6521977664	-1.9150082228	-0.215358
+H	-1.776738335	 0.4602114316	-3.2920942831	 0.105298
+H	-1.2322746898	 2.1559812932	-3.2789277948	 0.094158
+H	-0.550016004	 1.7941990093	 0.3178888331	 0.081519
+H	-0.3660779246	-0.8710199305	 0.2353309327	 0.072749
+H	 1.636174024	 0.4956173678	 1.0722771141	 0.094161
+H	 2.3057541693	-0.6751381839	-0.0909983353	 0.105296
+H	 0.8728568063	 2.7106733007	-1.7640977468	 0.081519
+H	 0.8910329614	 0.7494677772	-3.5799474451	 0.072749
+H	-0.5668816763	-1.2558686091	-2.2301171329	 0.101786
+H	 1.1951955446	-1.2374861053	-2.087768478	 0.101781
+19
+0 570	3.3071286	1.6979591	1.6955911	0.6919	72.42	-0.24171	0.08467	0.32638	894.3057	0.161601	-422.574287	-422.568021	-422.567077	-422.604553	26.47
+C	 0.6394118263	 1.4582739193	 0.4468672646	-0.111767
+O	 0.2396326537	 0.0756859567	 0.4096987749	-0.272927
+C	 0.5458638941	-0.3689971566	-0.9144049002	 0.099731
+C	-0.3616434378	 0.4150772536	-1.9001597121	-0.251878
+C	 0.5143192498	 1.6784050118	-2.1163554366	 0.09973
+O	 1.4318413179	 1.3979813173	-3.1766815909	-0.272927
+C	 2.2834077999	 0.3516650368	-2.6738773523	-0.111767
+C	 1.9393173188	 0.2523116304	-1.1853428685	-0.056233
+C	 1.4150264798	 1.6736033927	-0.8554628556	-0.056234
+H	-0.2430782548	 2.1077925748	 0.5294940602	 0.098071
+H	 1.2642493395	 1.622062693	 1.3321925102	 0.106454
+H	 0.4619030843	-1.455809367	-0.9386969085	 0.076742
+H	-0.5271716263	-0.0906728489	-2.854466503	 0.109144
+H	-1.3296429172	 0.6162233566	-1.4349685574	 0.109145
+H	-0.0159843761	 2.6001462809	-2.3571285977	 0.076742
+H	 2.0974083129	-0.5849879128	-3.2175466436	 0.098071
+H	 3.3287304289	 0.6366876194	-2.8385297501	 0.106454
+H	 2.7281167637	-0.1464895653	-0.5471456089	 0.076726
+H	 2.1472135325	 2.4811400974	-0.8373409943	 0.076725
+19
+0 571	3.6914824	1.4233795	1.2168118	2.2943	73.71	-0.21347	0.08889	0.30235999999999996	1055.5161	0.159592	-422.540653	-422.533376	-422.532431	-422.572132	28.698
+C	-0.062494164	 2.5697632299	 1.8544772759	-0.084175
+C	 0.6214515144	 1.2603937172	 2.3036397337	-0.339907
+C	 0.8731405376	 0.5548089064	 0.9893914891	 0.282541
+C	 1.7444853367	-0.6643851578	 0.7825835666	-0.339907
+C	 1.374570913	-1.1002503707	-0.6516974058	-0.084175
+O	 0.051725948	-0.6194649075	-0.9127883408	-0.264055
+C	-0.2101963043	 0.4729250508	-0.0705020846	 0.013224
+C	 0.7642352048	 1.6248977547	-0.0814717991	 0.013225
+O	 0.3638379396	 2.8320675784	 0.5133289235	-0.264055
+H	-1.1554965103	 2.4611939692	 1.8837059775	 0.102831
+H	 0.2063843412	 3.4352167219	 2.4664781027	 0.112006
+H	 1.5759182896	 1.4628424705	 2.803241221	 0.10916
+H	-0.0076984936	 0.6952414736	 2.9987879404	 0.10662
+H	 2.8168364421	-0.4665854149	 0.8795176961	 0.10662
+H	 1.4782097537	-1.4372491295	 1.512907148	 0.10916
+H	 2.077995913	-0.6687765176	-1.377176018	 0.102831
+H	 1.3700989558	-2.1848626513	-0.7911489851	 0.112006
+H	-1.2706612517	 0.620401532	 0.105571984	 0.103025
+H	 1.4690267947	 1.7722230146	-0.893199185	 0.103025
+19
+0 572	3.7350707	1.4092537	1.2180031	1.9606	74.13	-0.23012	0.0877	0.31782	1053.6136	0.15988	-422.546109	-422.538934	-422.53799	-422.577464	28.403
+C	-1.354408906	 1.7002602928	-0.2548460723	-0.084593
+C	-1.2362255204	 0.2411249491	 0.2428773963	-0.348324
+C	 0.2596157597	 0.0253401305	 0.2385226464	 0.30002
+C	 1.0151320681	-1.1013360255	 0.9021623559	-0.17866
+O	 2.3611002802	-0.9602358328	 0.4568430756	-0.25831
+C	 2.3525456109	-0.414266635	-0.8629219471	-0.098128
+C	 1.1114669573	 0.4562645452	-0.9546142093	-0.181088
+C	 0.8793096627	 1.3939350135	 0.2034226564	 0.08545
+O	-0.1308293298	 2.360847604	 0.0806481219	-0.271259
+H	-1.5051336019	 1.7200426737	-1.3431891806	 0.101044
+H	-2.1740078089	 2.2560339965	 0.2085929338	 0.112477
+H	-1.6219312313	 0.1381051252	 1.2639619427	 0.110954
+H	-1.794112212	-0.4488750218	-0.3978476378	 0.107241
+H	 1.0282769637	-1.0501283895	 1.9967033828	 0.109011
+H	 0.5941659843	-2.0776748702	 0.6075081867	 0.089143
+H	 3.2960519047	 0.1277045383	-0.9883321576	 0.111167
+H	 2.3086082435	-1.2109050539	-1.6232802796	 0.093084
+H	 0.6897929843	 0.6720978126	-1.9300515992	 0.092082
+H	 1.6926836808	 1.7153429973	 0.8456474349	 0.108689
+19
+0 573	3.706786	1.4396537	1.2413275	1.9795	74.28	-0.22951	0.08987	0.31938	1044.9057	0.159911	-422.54682	-422.539685	-422.538741	-422.578108	28.408
+C	-0.4457731863	 2.0327225435	-1.4384143398	-0.102684
+C	-0.0626627114	 2.5209727875	-0.0182101782	-0.255789
+C	 0.7725042146	 1.3737596169	 0.5358536916	-0.12486
+C	 0.1700426042	-0.0193654597	 0.4420015444	-0.171215
+C	 0.9911338531	-1.1423625956	 1.0445571952	-0.0976
+O	 2.3250634344	-0.981271861	 0.547439769	-0.260319
+C	 2.2729679652	-0.3604673314	-0.7317582423	-0.170699
+C	 1.0533616689	 0.5217003646	-0.6671000035	 0.453217
+O	 0.5505224858	 1.0846458078	-1.835146177	-0.30554
+H	-1.4302838377	 1.5454056001	-1.426138191	 0.102837
+H	-0.4695702403	 2.8287816254	-2.1865226069	 0.11354
+H	 0.556814338	 3.4221536345	-0.0688910807	 0.112609
+H	-0.9510652664	 2.7595870147	 0.5743664237	 0.10681
+H	 1.5292924363	 1.5809464157	 1.2857716991	 0.095983
+H	-0.9004460966	-0.1535639082	 0.3312371039	 0.089399
+H	 1.0608921458	-1.1255769845	 2.1377278646	 0.108006
+H	 0.5709158494	-2.1141154491	 0.7400241207	 0.094884
+H	 3.2137333249	 0.1811661004	-0.8731107083	 0.111941
+H	 2.1638282679	-1.0934663515	-1.5476023944	 0.099481
+19
+0 574	3.6637671	1.4556173	1.2397067	1.2363	73.86	-0.21588	0.08539	0.30127	1046.0533	0.159605	-422.542291	-422.535073	-422.534129	-422.573681	28.692
+C	 0.2011274402	 1.2536599211	-0.3560287547	-0.084046
+C	 1.4435519032	 1.9164680093	 0.2753862899	-0.343183
+C	 2.0802347765	 0.7540689683	 0.9888971498	 0.440428
+O	 3.0618522936	 1.0012770155	 1.9490478444	-0.303413
+C	 3.5964120867	-0.2665699184	 2.3338775855	-0.102596
+C	 3.4322241666	-1.2145522175	 1.1188540211	-0.25153
+C	 2.2668496927	-0.6077067644	 0.3476328004	-0.180836
+C	 1.0119661457	-0.294672224	 1.1506757443	 0.022593
+O	-0.1297588956	 0.1055586435	 0.4394984615	-0.270283
+H	-0.6743666289	 1.9078494242	-0.3793770532	 0.113632
+H	 0.4160414485	 0.9384695635	-1.386161867	 0.102199
+H	 2.0833433274	 2.3844203174	-0.4781510201	 0.110184
+H	 1.1697118626	 2.6775505847	 1.0138767746	 0.119334
+H	 4.6359836318	-0.1158441657	 2.635216191	 0.112421
+H	 3.041924176	-0.6534080001	 3.2002555247	 0.102648
+H	 4.326925281	-1.1988988467	 0.488290557	 0.112663
+H	 3.2669501802	-2.2478858925	 1.4389604544	 0.107877
+H	 2.1968918002	-0.7760604773	-0.7217625447	 0.091401
+H	 0.7694416816	-0.8207488908	 2.0681550111	 0.100507
+19
+0 575	3.6731242	1.456955	1.24313	1.3396	73.82	-0.22293	0.08105	0.30398	1044.6998	0.159658	-422.547418	-422.540231	-422.539287	-422.578751	28.628
+C	-1.3073971219	 0.7590441403	-1.4372563381	-0.224362
+C	-1.4115188736	 0.0892495783	-0.0398383357	-0.226929
+C	 0.0171293634	 0.0031978129	 0.4829032411	-0.173567
+C	 0.8562083322	 1.2664958449	 0.40400079	 0.018333
+O	 2.1287607151	 1.2240021773	 1.0107792253	-0.272075
+C	 2.8198603232	 0.1164744011	 0.4519931439	 0.001915
+O	 2.2343930932	-0.1818655145	-0.8007181375	-0.305112
+C	 0.9178541382	 0.2868089883	-0.7235157971	 0.43622
+C	 0.0952293311	 0.3975798307	-1.9770296024	-0.304555
+H	-2.107864576	 0.4403143812	-2.1088740972	 0.1037
+H	-1.3910896098	 1.8462955623	-1.3384798207	 0.109218
+H	-2.0860493288	 0.6396626919	 0.6251986587	 0.101508
+H	-1.811387569	-0.9269809575	-0.133677331	 0.106278
+H	 0.2587245182	-0.7325686795	 1.2424742307	 0.092567
+H	 0.4468665507	 2.2706971131	 0.378836587	 0.104305
+H	 3.8731113308	 0.3776384963	 0.3079985352	 0.119946
+H	 2.7373256425	-0.7540731591	 1.1232145035	 0.094604
+H	 0.4814957823	 1.1409268957	-2.6812321231	 0.107277
+H	 0.0880127579	-0.5723659636	-2.4886135025	 0.11073
+19
+0 576	3.7834543	1.3913364	1.2161419	0.0177	74.46	-0.25246	0.09419	0.34665	1053.3088	0.160188	-422.550445	-422.543341	-422.542397	-422.581731	28.105
+C	 1.9919923948	-0.4752791221	 0.5873215221	-0.104886
+O	 1.1896301428	-1.3525339975	-0.2054315056	-0.257761
+C	 0.2435156479	-0.5727125874	-0.9320775445	-0.183137
+C	-0.0443332089	 0.6160244503	-0.0467613921	 0.31673
+C	-0.8027943457	 1.8707412735	-0.4075436029	-0.183138
+O	-1.0068474117	 2.5465465193	 0.8305670432	-0.257759
+C	-1.117265916	 1.5722836554	 1.8700068803	-0.104887
+C	-0.2727676535	 0.3891646238	 1.4310818074	-0.114238
+C	 1.1096762962	 0.7131354493	 0.9261231157	-0.114237
+H	 2.3335407473	-1.052232968	 1.4532797769	 0.109882
+H	 2.8784291171	-0.1339567665	 0.0285858422	 0.09375
+H	 0.6547454004	-0.2430685403	-1.9015433559	 0.091417
+H	-0.6229881005	-1.21367887	-1.1284162167	 0.109454
+H	-0.259194084	 2.5569644908	-1.0661867808	 0.109454
+H	-1.7624283174	 1.6179792955	-0.8900925426	 0.091418
+H	-0.7825758627	 2.0544273642	 2.7946331183	 0.109883
+H	-2.1633072112	 1.2533408028	 2.0061331014	 0.09375
+H	-0.4889237589	-0.5973426644	 1.8275933243	 0.097153
+H	 1.5679071441	 1.6657111712	 1.1705924891	 0.097154
+19
+0 577	3.6040133	1.5800194	1.4746109	1.6483	73.32	-0.24078	0.08919	0.32997	955.5988	0.161064	-422.545473	-422.538939	-422.537995	-422.57597	27.203
+C	 1.1225430344	 0.1624998866	-1.7705347635	-0.244046
+C	-0.0953537988	 1.1366048931	-1.933512333	-0.237702
+C	-0.3697906728	 1.4318405596	-0.4582363566	-0.05983
+C	 1.0583244508	 1.6524988082	 0.1352405016	 0.1385
+O	 1.0222864846	 1.9115732177	 1.5296742898	-0.283556
+C	 0.6143764769	 0.7737737593	 2.2507930924	 0.019124
+O	-0.4443101037	 0.093166523	 1.6207557719	-0.283556
+C	-0.251978805	 0.027877369	 0.2166157148	 0.1385
+C	 1.2413972051	 0.1432402737	-0.2412561439	-0.102837
+H	 0.9239873667	-0.8326715574	-2.1786361532	 0.104328
+H	 2.0314372434	 0.5404355178	-2.2474134482	 0.104328
+H	 0.1613000106	 2.0371778769	-2.4988528876	 0.102931
+H	-0.9471430272	 0.6628395574	-2.4300144221	 0.102931
+H	-1.1847752811	 2.1026505936	-0.1886748844	 0.07041
+H	 1.7138839516	 2.4002844491	-0.318855361	 0.076669
+H	 1.4697888171	 0.0903109255	 2.3795931817	 0.087076
+H	 0.2600009066	 1.1085692262	 3.2286912277	 0.118267
+H	-0.8642842551	-0.7963401099	-0.1587405203	 0.076669
+H	 2.0323647555	-0.4733309897	 0.185319194	 0.071795
+19
+0 578	3.5793833	1.5658297	1.4332102	1.6976	73.62	-0.22764	0.08245	0.31009	965.8235	0.160693	-422.537153	-422.530556	-422.529612	-422.567746	27.344
+C	 3.2500175526	-0.2649712385	 0.7721137429	-0.09804
+O	 2.5889693224	-0.2169354791	-0.520008689	-0.284979
+C	 1.287635711	 0.2597402704	-0.173802587	 0.05468
+C	 0.8983186126	-0.5515760925	 1.0985550269	-0.024661
+C	-0.4242689501	-0.1164766143	 1.7372218146	-0.260532
+C	-0.6980249563	 1.3486795381	 1.378349035	-0.067453
+O	 0.4969944614	 2.1201804752	 1.3664979347	-0.281603
+C	 1.5926446819	 1.4383336485	 0.8067190135	 0.134802
+C	 2.1256622147	 0.2397296553	 1.6683530108	-0.101486
+H	 3.5665236197	-1.2920048643	 0.9909174177	 0.101662
+H	 4.1328778375	 0.3854622521	 0.7628904062	 0.102949
+H	 0.6763777486	 0.3405521248	-1.0717724012	 0.082949
+H	 1.0012886214	-1.6379359864	 1.0269415622	 0.070185
+H	-1.252648571	-0.7360284731	 1.3756997216	 0.103233
+H	-0.3710920435	-0.2538446591	 2.8237725407	 0.106301
+H	-1.1722502906	 1.3980899516	 0.3861293052	 0.09719
+H	-1.3725103399	 1.8308493583	 2.0909557319	 0.108827
+H	 2.3148579279	 2.1876479988	 0.4733576124	 0.083517
+H	 2.3092612598	 0.3396536943	 2.7380035508	 0.072459
+19
+0 579	3.6619135	1.5267744	1.4106638	1.617	73.85	-0.23691	0.08247	0.31938	971.8282	0.160652	-422.538617	-422.531987	-422.531043	-422.569336	27.153
+C	 0.9745871425	 0.2468572592	-1.8574787466	-0.097936
+O	-0.1821636622	 1.1168464567	-1.8099403352	-0.28699
+C	-0.336078661	 1.3235622598	-0.4019352481	 0.113318
+C	 1.1099987098	 1.5990628521	 0.1035976793	-0.040604
+C	 1.2072960086	 1.7777503559	 1.6169006216	-0.106875
+O	 0.1345844546	 1.1457689916	 2.29380729	-0.250055
+C	-0.2092091429	-0.1123737628	 1.7395548697	-0.106875
+C	-0.1596666164	-0.0951261531	 0.2135374017	-0.040603
+C	 1.2783042528	 0.1160627918	-0.3655905005	-0.082054
+H	 0.7099150737	-0.7033544677	-2.3371314479	 0.099783
+H	 1.7795419151	 0.7238978979	-2.4297549073	 0.099782
+H	-1.1872271296	 1.9739793046	-0.2086017383	 0.087262
+H	 1.683624093	 2.3601822888	-0.4332672286	 0.072225
+H	 2.1799352317	 1.401706774	 1.9795430698	 0.088166
+H	 1.1447031209	 2.8379671561	 1.8839511901	 0.111428
+H	 0.4481761407	-0.909076705	 2.1294964902	 0.088166
+H	-1.2251664381	-0.3242819036	 2.0891535096	 0.111428
+H	-0.759436452	-0.8997367845	-0.2217222632	 0.072225
+H	 2.1260784789	-0.4995192619	-0.0611023564	 0.06821
+19
+0 580	2.7679569	1.6307802	1.0988122	1.872	76.37	-0.23207	0.00672	0.23879	1096.1342	0.158821	-422.524964	-422.517462	-422.516517	-422.556711	29.628
+C	 0.3988160182	 1.0198717272	 1.168704463	-0.151887
+O	 0.1937984689	-0.2577953544	 0.4990544258	-0.307932
+C	 0.3632454569	 0.3984536778	-0.780400783	 0.111659
+C	 1.0708090658	-0.2648587448	-1.9122840437	-0.129587
+C	 1.5028791011	 0.5169857283	-2.9047523623	-0.062744
+C	 1.2573283863	 2.0206933682	-2.9771469296	-0.266876
+C	 1.7323426529	 2.9223949138	-1.8102950496	-0.081219
+O	 1.0016796562	 2.810605	-0.5889977958	-0.250071
+C	 1.134460172	 1.5200280785	-0.0822482663	 0.114802
+H	-0.5523101899	 1.5389293267	 1.3502620359	 0.108187
+H	 0.9581620277	 0.9125036908	 2.1011539693	 0.113232
+H	-0.6152403159	 0.7850690436	-1.1184977303	 0.084901
+H	 1.220377201	-1.3398658706	-1.9078189387	 0.105765
+H	 2.0127515359	 0.0701688389	-3.7537368882	 0.095583
+H	 1.7497074378	 2.4124226077	-3.8740736067	 0.106203
+H	 0.1824558335	 2.2065735917	-3.1201180424	 0.124279
+H	 2.8006710846	 2.7351708969	-1.6168882468	 0.096682
+H	 1.6197839154	 3.9663904465	-2.1152846315	 0.110009
+H	 2.1950525516	 1.2339929334	-0.0171257491	 0.079014
+19
+0 581	2.8491405	1.5960243	1.1229468	1.7098	76.3	-0.24104	0.01119	0.25223	1085.2059	0.158922	-422.520867	-422.513327	-422.512383	-422.552698	29.532
+C	 1.2708766684	 0.1136371193	-0.0190475033	-0.13477
+O	-0.170060842	 0.0045858927	-0.1474227616	-0.310678
+C	-0.3131272824	 1.2715852501	 0.5508471783	 0.141274
+C	-1.3309836789	 2.2535753157	 0.0738047194	-0.133881
+C	-1.102512706	 3.5620189988	 0.1931703801	-0.041742
+C	 0.135698122	 4.2128107045	 0.7923396657	-0.141484
+O	 0.8532528665	 3.44860813	 1.7550262435	-0.243465
+C	 1.806721032	 2.5151121858	 1.2509141591	-0.122871
+C	 1.1365692271	 1.6314484738	 0.2139473462	-0.030615
+H	 1.6390269642	-0.4408416072	 0.8573138749	 0.097063
+H	 1.7919451501	-0.2296486192	-0.9171085142	 0.110358
+H	-0.4413032971	 1.0716463608	 1.6266524379	 0.090795
+H	-2.2592780483	 1.8774001327	-0.3469150462	 0.104313
+H	-1.8541846139	 4.2714364755	-0.1474630416	 0.093388
+H	 0.8096559247	 4.5528555311	-0.0137391098	 0.102638
+H	-0.1807508221	 5.117082879	 1.3251343846	 0.119704
+H	 2.6823222231	 3.0406756685	 0.8395691829	 0.092692
+H	 2.1327391741	 1.9430707471	 2.1258753268	 0.111278
+H	 1.1415515585	 2.1253002709	-0.7620743328	 0.096003
+19
+0 582	2.835481	1.5770176	1.0861923	2.0759	76.17	-0.24633	-0.00313	0.2432	1102.0373	0.159003	-422.519758	-422.512254	-422.511309	-422.55153	29.524
+C	-0.3697519482	 1.2400469166	 0.0314615161	-0.138006
+O	 0.0929397269	-0.1271753705	 0.2098451712	-0.303672
+C	 1.2657599959	 0.1867706382	-0.5740777905	 0.177178
+C	 2.6254028915	-0.3763445113	-0.2126552203	-0.148969
+O	 3.5622134941	 0.1459546644	-1.1467701775	-0.244071
+C	 3.8545243372	 1.5420547346	-1.0550721821	-0.123033
+C	 2.865675062	 2.5125480677	-1.6969051143	-0.066997
+C	 1.5846773051	 2.6150187013	-1.3335760391	-0.110477
+C	 1.0724436275	 1.680191734	-0.2872453921	-0.044056
+H	-1.061414318	 1.3175906898	-0.8198149859	 0.101361
+H	-0.8466191086	 1.63502546	 0.9327102371	 0.110112
+H	 1.0805864519	-0.0345736977	-1.6360737608	 0.078887
+H	 2.89771999	-0.1105989186	 0.821357774	 0.090998
+H	 2.6686840994	-1.4652690916	-0.3125160676	 0.115091
+H	 3.9938361628	 1.8145007636	 0.0056347628	 0.100942
+H	 4.8262283986	 1.6505975342	-1.5442652788	 0.113148
+H	 3.2683907123	 3.1706866848	-2.4620626687	 0.095759
+H	 0.9239589951	 3.3395444591	-1.8015636208	 0.096973
+H	 1.5620883843	 1.9003094012	 0.6714541373	 0.098833
+19
+0 583	2.3262116	2.0503319	1.5090098	1.2552	75.34	-0.2416	0.02147	0.26307	953.7266	0.159982	-422.57264	-422.565312	-422.564367	-422.604426	28.641
+C	 0.8914830995	 1.7701665176	 0.2496139538	-0.095431
+O	 0.8590456245	 0.3839659293	 0.5589258145	-0.269959
+C	 0.6934692189	-0.3440127455	-0.647628259	 0.198761
+C	-0.721361577	-0.9111114772	-0.7537495832	-0.275324
+C	-1.8606346737	 0.075642369	-0.7890581164	-0.044215
+C	-1.8781488331	 1.3542875265	-1.1698866715	-0.057425
+C	-0.7566056784	 2.2192190976	-1.6890746665	-0.267644
+C	 0.6660773827	 1.8396898644	-1.2753693693	 0.062645
+O	 1.0227904656	 0.5278357855	-1.7054158832	-0.258273
+H	 0.1093418729	 2.295668956	 0.8089762033	 0.107165
+H	 1.8677611026	 2.1832332118	 0.5320291645	 0.101255
+H	 1.4205219837	-1.1661363133	-0.6625273703	 0.08494
+H	-0.7638956171	-1.545904688	-1.6513895844	 0.116504
+H	-0.8600816246	-1.5893133944	 0.0972748835	 0.11371
+H	-2.8145118467	-0.3529723192	-0.486350095	 0.087382
+H	-2.8441482605	 1.855708387	-1.1476213335	 0.085247
+H	-0.7995005791	 2.2340597047	-2.7879453052	 0.121316
+H	-0.9301094159	 3.2581252455	-1.3768938754	 0.103636
+H	 1.367992446	 2.5301614927	-1.7527264165	 0.085709
+19
+0 584	2.6566399	1.9572375	1.4599861	0.9336	75.46	-0.2405	0.0142	0.2547	952.0389	0.160241	-422.57125	-422.564142	-422.563197	-422.602524	28.61
+C	-0.5516459493	 1.2761598941	-0.7361097998	-0.224001
+C	-0.0069702043	 0.2917892791	 0.328128377	-0.251976
+C	 1.4819086077	 0.0748598863	-0.0979919868	 0.054367
+O	 1.6221622677	 0.7629563092	-1.3538879542	-0.245248
+C	 0.7397644924	 1.8488746478	-1.3163013166	 0.189997
+O	 1.1798466934	 2.8712977419	-0.4323448573	-0.280195
+C	 2.5741788988	 2.8972599934	-0.1484040198	-0.12859
+C	 2.9992894755	 1.8333137627	 0.841973804	-0.059831
+C	 2.4963406466	 0.6007894539	 0.8883596458	-0.059218
+H	-1.0999046495	 0.7485088743	-1.5215334264	 0.103759
+H	-1.1927060338	 2.0539832651	-0.3191767572	 0.115345
+H	-0.0581534351	 0.7224472974	 1.3292800939	 0.117917
+H	-0.5622916305	-0.6483318841	 0.3357276559	 0.105123
+H	 1.6883825686	-0.9803950832	-0.3025976907	 0.085309
+H	 0.6722497803	 2.2379708221	-2.3397716559	 0.07464
+H	 3.1677969621	 2.8259914022	-1.0714965248	 0.113319
+H	 2.75827941	 3.8871477017	 0.2810488285	 0.108356
+H	 3.7528551426	 2.1308578846	 1.5673073166	 0.091147
+H	 2.8235954068	-0.0925297984	 1.6596573678	 0.089781
+19
+0 585	2.4647835	1.9915988	1.4598871	2.5985	75.69	-0.24659	0.01065	0.25724	957.0211	0.160163	-422.563527	-422.556248	-422.555303	-422.595277	28.639
+C	 0.2979664176	 1.7951996733	 0.3123711748	-0.06489
+O	 0.2585318765	 0.3990712802	 0.5932170657	-0.258818
+C	 0.8253838912	-0.3525473988	-0.4717231759	 0.231412
+C	 1.5240389896	 0.67948669	-1.3626631587	-0.299779
+C	 0.6118072133	 1.9075516611	-1.1948505762	-0.083111
+C	-0.6473044655	 1.8256530799	-2.0184272073	-0.066842
+C	-1.2393881144	 0.7123042165	-2.4478502768	-0.066036
+C	-0.7670134308	-0.7182157174	-2.3131535893	-0.125432
+O	-0.1516442841	-1.1392813018	-1.1037651577	-0.256743
+H	-0.6645665574	 2.2404657952	 0.5836006386	 0.107779
+H	 1.0857833042	 2.2744472163	 0.9126010495	 0.089915
+H	 1.510873567	-1.07828779	-0.022309378	 0.086598
+H	 2.5177412323	 0.8893584816	-0.9550460661	 0.108271
+H	 1.6444515415	 0.3475242155	-2.3950065433	 0.11572
+H	 1.1355457354	 2.8427064563	-1.4121572269	 0.075724
+H	-1.1334392463	 2.7766850653	-2.2260487947	 0.088774
+H	-2.1618209028	 0.8110115785	-3.0166660584	 0.093402
+H	-1.6333435529	-1.3791120015	-2.4158370414	 0.118322
+H	-0.1064314044	-0.9527565202	-3.1660269878	 0.105735
+19
+0 586	2.3353928	2.0695021	1.5612803	0.6228	74.95	-0.23496	0.00366	0.23862	935.3554	0.159864	-422.554151	-422.546937	-422.545993	-422.585592	28.829
+C	-0.7222175503	 1.2512341975	-0.4104092652	-0.105239
+O	-0.2653817701	 0.0290272058	 0.1645402895	-0.281181
+C	 1.1684516076	-0.0888733745	 0.0092838256	 0.057559
+C	 1.5382921453	 0.98476902	-1.0269987702	-0.250202
+C	 0.5267831757	 2.0913248341	-0.6880614794	 0.107895
+O	 0.9533921926	 2.9194569729	 0.386042027	-0.274616
+C	 0.8930943451	 2.4342312924	 1.7210918517	-0.126372
+C	 1.7387346965	 1.2276979292	 2.0685023407	-0.068734
+C	 1.8662634623	 0.1231546796	 1.3358519349	-0.054786
+H	-1.2556877323	 1.0532718023	-1.3519225761	 0.094539
+H	-1.4198436884	 1.7403567743	 0.2782012492	 0.110865
+H	 1.3682257886	-1.1009581705	-0.3554568602	 0.075876
+H	 2.570231716	 1.3277875743	-0.9506202762	 0.115327
+H	 1.3546557388	 0.6173579242	-2.0424916892	 0.10137
+H	 0.3717534741	 2.7827605978	-1.5203199216	 0.085848
+H	 1.2216217285	 3.286939691	 2.3224207916	 0.113948
+H	-0.149375853	 2.228774652	 2.0144967068	 0.115007
+H	 2.2407054206	 1.2832854165	 3.0319109863	 0.094124
+H	 2.4925385325	-0.6876563991	 1.6985141748	 0.088772
+19
+0 587	2.5613994	1.9585395	1.4486025	0.8976	75.74	-0.24297	0.01453	0.2575	960.6803	0.160184	-422.568409	-422.561206	-422.560261	-422.599895	28.607
+C	 0.2040467328	 1.992658423	-0.0000306074	-0.084632
+O	-0.0727778865	 0.6593145573	 0.3981091856	-0.27217
+C	 0.8149270296	-0.2071648138	-0.307584258	 0.20923
+C	 0.0065397245	-1.24870405	-1.106652637	-0.236506
+C	-0.0986632255	-0.9232761872	-2.6089722418	-0.24758
+C	-0.6076187455	 0.4590429896	-2.9635945899	-0.068696
+C	-0.1826194189	 1.6207996288	-2.4679998647	-0.040295
+C	 0.8466652265	 1.7934373554	-1.3826559815	 0.004271
+O	 1.6128807378	 0.6113702428	-1.1429987496	-0.257773
+H	-0.7334487838	 2.554356976	-0.0230380402	 0.11259
+H	 0.9067292002	 2.4791040548	 0.6918073368	 0.095794
+H	 1.4930533294	-0.6918717442	 0.4070616921	 0.082761
+H	 0.4764307361	-2.2330357105	-0.9991874712	 0.095601
+H	-0.9860893018	-1.312547699	-0.650825563	 0.117437
+H	 0.8906033978	-1.0588252531	-3.0622386943	 0.12627
+H	-0.7502663985	-1.6700189867	-3.0741147043	 0.096331
+H	-1.3739582222	 0.4948882326	-3.7348351518	 0.089866
+H	-0.622374545	 2.5478908344	-2.8315972006	 0.085421
+H	 1.5507122328	 2.5937284	-1.6317003191	 0.09208
+19
+0 588	2.5979519	1.9224189	1.4492256	1.733	74.73	-0.24875	0.00876	0.25751	958.7516	0.160601	-422.566712	-422.559619	-422.558675	-422.597999	28.425
+C	 1.0343254201	 1.6687786682	-1.3304795666	-0.113902
+O	 1.7331706945	 0.4435254319	-1.1555720206	-0.251412
+C	 1.0031515785	-0.247421199	-0.1513594321	 0.128734
+O	 0.6427068909	 0.7421111014	 0.7871065094	-0.246817
+C	 0.2655359287	 1.883513134	 0.0097088385	 0.078468
+C	-1.2703517698	 1.9768393402	-0.1363642268	-0.234887
+C	-1.9766341665	 0.6299538528	 0.1216270063	-0.23962
+C	-1.4558177114	-0.5483901769	-0.6745061227	-0.081933
+C	-0.1871124669	-0.9497581399	-0.7605905916	-0.049723
+H	 1.7713586795	 2.4516619119	-1.52702082	 0.113155
+H	 0.3407534861	 1.6129248743	-2.1794650841	 0.09932
+H	 1.6909524493	-0.9487154612	 0.3318512926	 0.094859
+H	 0.6464623953	 2.7614490033	 0.5384713936	 0.088699
+H	-1.6675264123	 2.7104049169	 0.5736847064	 0.100781
+H	-1.5172913077	 2.3489097551	-1.1380960461	 0.101876
+H	-1.8874124419	 0.399065701	 1.1891285285	 0.130319
+H	-3.0449624116	 0.7559821574	-0.0799233242	 0.095391
+H	-2.2054058871	-1.1350183729	-1.2016763877	 0.093755
+H	 0.0637594424	-1.8231361385	-1.358146963	 0.092936
+19
+0 589	2.85631	2.0109255	1.7177741	1.8833	71.84	-0.25106	0.07675	0.32781	877.0445	0.161862	-422.59226	-422.58596	-422.585016	-422.622837	26.353
+C	 1.5393646577	-0.0557514969	 0.8680029145	-0.230881
+C	 1.7822246957	 1.4138616835	 1.3231684358	-0.230953
+C	 0.5490056159	 2.197969014	 0.8590968854	 0.104501
+O	-0.5014158763	 2.1796417907	 1.851813977	-0.289163
+C	-1.5099525545	 1.3372672597	 1.3015999923	 0.176882
+C	-1.0258094649	-0.1218441993	 1.3506407913	-0.247178
+C	 0.1157655994	-0.0736920289	 0.2838482089	-0.028516
+C	-0.1167758652	 1.3641574737	-0.2689593961	 0.035711
+O	-1.5048652906	 1.6281639668	-0.0834401434	-0.24692
+H	 2.2634738324	-0.3373644961	 0.0964369005	 0.099083
+H	 1.6559091537	-0.7748637704	 1.6831565535	 0.104325
+H	 1.89278946	 1.5115572295	 2.4055218573	 0.116543
+H	 2.6883880889	 1.8244481876	 0.8668203482	 0.099539
+H	 0.7592456739	 3.2398682966	 0.6023146164	 0.077884
+H	-2.4723314894	 1.5745791704	 1.7535251725	 0.089744
+H	-0.675652311	-0.4030113562	 2.3462332652	 0.105848
+H	-1.8294676037	-0.8011937395	 1.054508138	 0.105245
+H	-0.0165426381	-0.8473831669	-0.4736861823	 0.072645
+H	 0.1871714962	 1.5740039016	-1.292709155	 0.08566
+19
+0 590	2.8710271	2.0416686	1.7642532	2.2076	72.57	-0.24609	0.08222	0.32831	867.7023	0.161752	-422.595004	-422.588766	-422.587822	-422.625394	26.354
+C	-0.6764514837	 1.2763199527	 0.9883766309	-0.225232
+C	 0.5269052079	 2.077951588	 1.5568349813	-0.22523
+C	 1.7719484702	 1.3355989985	 1.0523779748	 0.120758
+O	 2.1077296938	 1.7641803031	-0.2939994604	-0.285243
+C	 1.7201253171	 0.6903782083	-1.1352917707	 0.197831
+C	 2.1877593367	-0.5513294351	-0.3743818156	-0.254012
+C	 1.3416110716	-0.138201972	 0.8341786623	-0.112576
+C	-0.0459657297	 0.1246307083	 0.19353437	 0.120762
+O	 0.3075843101	 0.5650945563	-1.1444364933	-0.285246
+H	-1.2993216885	 0.8749820345	 1.7945143416	 0.09545
+H	-1.3224201283	 1.8701690787	 0.3383993449	 0.116995
+H	 0.549775127	 3.1172961296	 1.2227032193	 0.116999
+H	 0.5151867643	 2.0838642079	 2.6516961953	 0.09545
+H	 2.652181078	 1.4760312201	 1.6872809698	 0.07131
+H	 2.0690885491	 0.8845999589	-2.1477978705	 0.089881
+H	 1.8722589405	-1.4857955319	-0.8427220398	 0.107148
+H	 3.2631295588	-0.5593156375	-0.1856397042	 0.107148
+H	 1.3424893331	-0.769185473	 1.7220041588	 0.076499
+H	-0.6939598881	-0.7529496853	 0.1064104354	 0.071308
+19
+0 591	2.8447966	2.0004766	1.7122722	1.0532	72.1	-0.23929	0.07944	0.31873	875.4919	0.161825	-422.585237	-422.578929	-422.577985	-422.615799	26.353
+C	 1.3397739517	 0.207584121	 0.2951762255	-0.08853
+O	 1.3806582793	 1.3157240036	 1.2009610322	-0.27602
+C	 0.5835792989	 2.3795917702	 0.6969631705	 0.0963
+C	-0.8591122233	 2.3830055103	 1.2784984954	-0.231995
+C	-1.6471902497	 1.7910598822	 0.0952645551	 0.061871
+C	-1.2170490356	 0.330027505	-0.1698951945	-0.23338
+C	 0.235838051	 0.5194866677	-0.7079856096	-0.055275
+C	 0.2807733819	 2.0712338366	-0.8000849117	 0.055035
+O	-1.0576245052	 2.487850582	-1.0176060592	-0.263014
+H	 2.3133169405	 0.1079064129	-0.2076067018	 0.09397
+H	 1.1622860772	-0.7110650113	 0.866260737	 0.103342
+H	 1.1166747305	 3.3158484181	 0.8743350356	 0.081476
+H	-0.9108938899	 1.8012958178	 2.2011503261	 0.106902
+H	-1.2036357366	 3.4013708713	 1.4766924376	 0.103467
+H	-2.7228289116	 1.965576484	 0.1072907135	 0.077343
+H	-1.260307835	-0.2962299837	 0.7252648474	 0.10302
+H	-1.8593327578	-0.1160207692	-0.9326354167	 0.10698
+H	 0.3904282023	 0.019851202	-1.6650261672	 0.077397
+H	 0.9443378414	 2.5101415292	-1.5431582752	 0.081111
+19
+0 592	2.8737055	2.0097401	1.7535559	1.8352	72.76	-0.243	0.08304	0.32604	868.0521	0.161604	-422.584643	-422.578395	-422.577451	-422.614999	26.391
+C	 1.4156333724	-0.1251887584	 0.7337548833	-0.091788
+O	 1.7160405035	 1.1118262747	 1.3840583277	-0.274112
+C	 0.6628528106	 2.0330431094	 1.1228582774	 0.11888
+C	 0.8386010061	 2.7806615055	-0.239626768	-0.244564
+C	-0.1810346165	 2.0475865235	-1.1255413748	 0.096082
+C	-1.4005915495	 1.9508316537	-0.1974022269	-0.237737
+C	-0.6143904598	 1.1842950021	 0.8729566664	-0.085697
+C	 0.0678862936	 0.0714193417	 0.0439207992	 0.089189
+O	 0.227948516	 0.6739957153	-1.2578216569	-0.294658
+H	 2.1955020872	-0.3746828424	 0.0054963057	 0.110216
+H	 1.3649631872	-0.9254093715	 1.4848074045	 0.094735
+H	 0.6080933798	 2.7112544251	 1.9766334069	 0.078859
+H	 0.5897310071	 3.8438514887	-0.1551745142	 0.094408
+H	 1.8643668295	 2.6893328917	-0.6019715375	 0.114294
+H	-0.3311246296	 2.4504943078	-2.1270450607	 0.075737
+H	-1.7716392755	 2.9217258251	 0.1416003174	 0.100471
+H	-2.2215519321	 1.3754725761	-0.6323239789	 0.106097
+H	-1.1373796649	 0.8442643549	 1.7659168599	 0.073518
+H	-0.497301195	-0.859486203	-0.0631596703	 0.076071
+19
+0 593	2.8803312	2.0138599	1.7545297	2.8439	72.44	-0.24919	0.08127	0.33046	867.885	0.161992	-422.593404	-422.587214	-422.58627	-422.623729	26.184
+C	-1.0110436615	-0.5820204496	-0.7747731736	-0.087532
+O	-1.4832046094	-0.8593569784	 0.5494793181	-0.261856
+C	-0.7794725734	-0.065436313	 1.4681587815	 0.237997
+O	 0.3992140824	-0.7145044025	 1.9666770193	-0.288294
+C	 1.516942077	-0.0540972728	 1.3500573189	 0.098329
+C	 1.4870803781	-0.3389785856	-0.1625034128	-0.234162
+C	 0.1672224451	 0.3784004526	-0.6006533191	-0.045867
+C	-0.2218700822	 1.1513011783	 0.6979404871	-0.102184
+C	 1.1045007662	 1.4236289027	 1.4133571156	-0.236416
+H	-0.7279397461	-1.5205142552	-1.2643707439	 0.105466
+H	-1.8251347515	-0.1255256637	-1.3541240667	 0.095359
+H	-1.4475854724	 0.1214662836	 2.3119408082	 0.085264
+H	 2.4231575396	-0.3571490899	 1.8740257905	 0.075664
+H	 2.3641108867	 0.0906814212	-0.6568911172	 0.096535
+H	 1.4699789557	-1.4117517039	-0.3704753204	 0.109861
+H	 0.3073485764	 1.0191016142	-1.4727963705	 0.073289
+H	-0.9278064368	 1.9711825002	 0.5696259844	 0.073149
+H	 1.7713752707	 2.0929401479	 0.8627174159	 0.09881
+H	 0.9844965254	 1.7838153539	 2.4380833647	 0.10659
+19
+0 594	2.4231266	2.0167499	1.6237161	2.2464	74.24	-0.24484	0.01127	0.25611	923.7194	0.160747	-422.574877	-422.567967	-422.567022	-422.605786	28.379
+C	-0.2899656353	-0.4228250563	-0.5626444089	-0.08152
+C	 0.1934764253	 0.3635918679	 0.6623183334	-0.219101
+C	 1.1999104633	 1.4612950492	 0.2662117835	 0.079283
+C	 2.6021377496	 0.9698724021	-0.1448705453	-0.268102
+C	 2.6488658467	 0.5314655184	-1.5848205243	-0.067066
+C	 1.6233453152	 0.7347733206	-2.4068555226	-0.078641
+C	 0.3610386456	 1.4047415116	-1.9125741538	 0.148033
+O	-0.6552159151	 0.4556865588	-1.6243159346	-0.258621
+O	 0.6240392834	 2.2285540932	-0.798772168	-0.258613
+H	 0.4805348773	-1.1304135731	-0.8987646336	 0.09723
+H	-1.1915440245	-0.9949812487	-0.3278296713	 0.108884
+H	-0.6662272337	 0.8614305908	 1.1230772843	 0.112212
+H	 0.6250317128	-0.3159267877	 1.4056728209	 0.094214
+H	 1.3011105055	 2.160583036	 1.1009289706	 0.082498
+H	 3.3329803746	 1.7759961436	 0.009024662	 0.118012
+H	 2.9198885677	 0.1515440883	 0.5138119197	 0.107984
+H	 3.5625785739	 0.0584977785	-1.9366826136	 0.094141
+H	 1.6360258359	 0.4026937171	-3.4400326326	 0.096614
+H	-0.0700672982	 2.0588278897	-2.6747935758	 0.092559
+19
+0 595	2.3977245	2.0466746	1.6270964	1.8598	74.59	-0.24119	0.01638	0.25756999999999997	921.864	0.160627	-422.575896	-422.568967	-422.568022	-422.60683	28.426
+C	 0.4078359916	 1.5396776164	 0.5808834275	-0.081484
+C	-0.0625915018	 0.085145726	 0.4900988255	-0.217012
+C	-0.7269915597	-0.1354950926	-0.8845757788	 0.040348
+O	 0.2236076752	 0.2318075368	-1.8913375925	-0.257778
+C	 0.5403552644	 1.6026936326	-1.8032577805	 0.185194
+C	-0.7000124631	 2.4706900341	-2.1120285411	-0.292774
+C	-1.9813291549	 1.8569021948	-1.6148476355	-0.065789
+C	-2.0019717838	 0.6548908456	-1.0449033673	-0.063047
+O	 1.1595804167	 1.9144736165	-0.5712253856	-0.261301
+H	-0.453302316	 2.2102467696	 0.7134347328	 0.099135
+H	 1.0779203465	 1.684710376	 1.4326003306	 0.109813
+H	 0.7961717649	-0.5892462818	 0.5695372471	 0.111634
+H	-0.7565193112	-0.1409839538	 1.3071013282	 0.097128
+H	-0.9203611124	-1.2009038115	-1.0433416537	 0.085506
+H	 1.3175293235	 1.7780598799	-2.5513180618	 0.091118
+H	-0.546669133	 3.4659042232	-1.6774965118	 0.120502
+H	-0.7629451756	 2.6216510406	-3.1982129697	 0.116499
+H	-2.896600295	 2.4269877	-1.7530610272	 0.091978
+H	-2.9211447063	 0.2154689178	-0.6683125862	 0.090331
+19
+0 596	2.3595362	2.0687605	1.6479517	2.0472	74.42	-0.24688	0.00724	0.25412	914.2373	0.160976	-422.574015	-422.567178	-422.566234	-422.604791	28.244
+C	-0.4377277183	 0.8487522996	 0.4730468162	 0.019655
+O	 0.0001457137	-0.0563723964	-0.515326683	-0.268922
+C	 0.7832998988	 0.5404212598	-1.5576035629	 0.095708
+C	-0.0225013667	 1.5110533406	-2.4459936847	-0.274152
+C	-0.1156030561	 2.9085826647	-1.8857557786	-0.049684
+C	 0.5158716431	 3.2899087858	-0.7747919576	-0.082537
+C	 1.3641918391	 2.3166922796	 0.0143275233	 0.062878
+C	 1.9715827761	 1.2633319267	-0.9168832615	-0.226155
+O	 0.5940267203	 1.6271486363	 1.0242086856	-0.264684
+H	-1.2311039368	 1.4964662212	 0.0681393233	 0.086217
+H	-0.8363997413	 0.2430567028	 1.2903350423	 0.115529
+H	 1.1111446198	-0.3088978307	-2.1629081827	 0.081419
+H	 0.4427063761	 1.5506733408	-3.4418234413	 0.112654
+H	-1.0259797601	 1.0968153129	-2.6054986941	 0.121102
+H	-0.7308841472	 3.6163743234	-2.4374772783	 0.092874
+H	 0.4002926738	 4.2969693662	-0.3855985348	 0.091762
+H	 2.1355302559	 2.847127198	 0.5776785141	 0.080425
+H	 2.6059014952	 1.7326496801	-1.6758806554	 0.098074
+H	 2.5702401546	 0.5555590786	-0.3374876097	 0.107836
+19
+0 597	2.4288276	2.006009	1.6263852	0.4412	75.21	-0.23078	0.02179	0.25257	925.31	0.160457	-422.566542	-422.559582	-422.558638	-422.597536	28.362
+C	 2.0457384777	 0.39121235	 0.7640136294	-0.082574
+O	 1.767962644	 1.7001034091	 1.2355394477	-0.247584
+C	 0.402054586	 2.0336069163	 1.0639134932	-0.083645
+C	-0.0019536351	 1.8769482683	-0.4129021479	 0.027484
+O	 0.2189165036	 0.514438193	-0.7914637391	-0.278613
+C	 1.6104248178	 0.1975682991	-0.6940701934	 0.075467
+C	 2.4166351074	 1.007781196	-1.7295077446	-0.266021
+C	 1.8911737562	 2.4089275523	-1.8949550112	-0.056097
+C	 0.7724977148	 2.814357428	-1.3025947644	-0.04804
+H	 3.1226381312	 0.2370571947	 0.8837433623	 0.104618
+H	 1.5138158385	-0.3519064358	 1.3811250198	 0.090399
+H	-0.2363999181	 1.3779415993	 1.6783184129	 0.091641
+H	 0.2833855376	 3.0663381422	 1.4049536675	 0.106915
+H	-1.0802396795	 2.0417181041	-0.5147330764	 0.084858
+H	 1.6849466928	-0.8698047452	-0.928213076	 0.081815
+H	 3.4749343011	 1.0318991826	-1.439332187	 0.108801
+H	 2.3854018461	 0.4934107743	-2.6996791513	 0.112777
+H	 2.4523630251	 3.0766513431	-2.5435918346	 0.089189
+H	 0.4031099928	 3.8299049785	-1.4110429269	 0.088606
+19
+0 598	3.2655409	1.5256247	1.0961286	1.2059	76.05	-0.24786	0.01716	0.26502	1091.2333	0.159779	-422.571774	-422.56431	-422.563366	-422.603998	28.788
+C	-0.3337974974	 1.2981930351	-0.1538586698	 0.010352
+O	 0.6969749787	 2.1897291988	-0.5637319382	-0.288648
+C	 1.8755522096	 1.7311666118	 0.0830931366	 0.141819
+C	 3.1874683132	 2.0552211782	-0.6033908967	-0.306692
+C	 4.2502060078	 1.1631266663	 0.0124269152	-0.051879
+C	 3.9962015874	 0.0869221914	 0.7641736598	-0.051863
+C	 2.6064197042	-0.4348546094	 1.0815103664	-0.306693
+C	 1.6448876035	 0.2326290542	 0.1185341529	 0.141816
+O	 0.2666031433	 0.160282298	 0.4544170883	-0.288646
+H	-0.9969267206	 1.7644725813	 0.5886151017	 0.102546
+H	-0.9105403962	 1.0191857352	-1.0471381009	 0.102544
+H	 1.907445713	 2.1076335062	 1.1196365701	 0.072754
+H	 3.1037370221	 1.8765988826	-1.6838859846	 0.120228
+H	 3.4576511611	 3.1100431099	-0.4830099578	 0.11324
+H	 5.2835750045	 1.4456516339	-0.1709376544	 0.091448
+H	 4.8293994982	-0.4774427546	 1.1747485514	 0.091447
+H	 2.5782318942	-1.5262063933	 0.9903803125	 0.113241
+H	 2.3273604815	-0.2016374759	 2.1179071465	 0.12023
+H	 1.807822472	-0.1732675497	-0.894316109	 0.072754
+19
+0 599	2.7195965	1.6395402	1.0816857	1.903	77.03	-0.24259	0.01436	0.25695	1105.445	0.158907	-422.526033	-422.51844	-422.517496	-422.558048	29.501
+C	-0.1659064731	 1.3238492888	 0.1358474274	-0.141419
+O	 0.1224803985	-0.0968791007	 0.24158437	-0.309351
+C	 1.2940810005	 0.0842832323	-0.5928151572	 0.162975
+C	 2.5610192199	-0.6683155716	-0.2833032344	-0.317292
+C	 3.7129859263	-0.0283929108	-1.027578606	-0.072803
+C	 3.8478461909	 1.2051488233	-1.5320475469	-0.052646
+C	 3.0158049851	 2.4780187529	-1.5350586501	-0.133349
+O	 1.6153519516	 2.4285731576	-1.3176305912	-0.245011
+C	 1.2951198198	 1.5733365893	-0.2651173042	 0.090827
+H	-0.8745862887	 1.5392772078	-0.6753190239	 0.108304
+H	-0.530014133	 1.7437511497	 1.0771886701	 0.110137
+H	 1.0264855591	-0.05236471	-1.6519228367	 0.077694
+H	 2.7558073099	-0.6414114385	 0.7985604393	 0.119314
+H	 2.4862229766	-1.7273589821	-0.5568717911	 0.112231
+H	 4.5713904404	-0.6844509106	-1.1587657461	 0.092125
+H	 4.8110187967	 1.4119450265	-2.0004418482	 0.09369
+H	 3.4779550488	 3.1525177128	-0.7889346656	 0.107938
+H	 3.1394918836	 2.9664326577	-2.5075414177	 0.121641
+H	 1.9077872569	 1.7851979656	 0.6252796325	 0.074996
+19
+0 600	2.2112957	2.0667112	1.7801535	1.7291	74.94	-0.24238	0.01739	0.25977	907.6366	0.160451	-422.566456	-422.559286	-422.558342	-422.597903	28.517
+C	-0.0606485756	 0.0625002187	 0.4593798325	-0.051796
+O	-1.3034089887	 0.7380906053	 0.6183066449	-0.267622
+C	-2.3679641985	-0.0822738877	 1.0688177201	 0.189317
+C	-3.1531661141	-0.6642454903	-0.1239789166	-0.282412
+C	-2.3342098048	-1.4236711234	-1.1315084865	-0.034817
+C	-1.055649268	-1.7623451909	-0.9787959598	-0.077815
+C	-0.2604104768	-1.450371275	 0.2716809498	-0.124129
+C	-0.9593270013	-1.9634985077	 1.5437174227	-0.065793
+O	-1.9488121568	-1.0411967371	 2.0059555403	-0.263044
+H	 0.4369298227	 0.5078052952	-0.4082322788	 0.10641
+H	 0.5718590206	 0.2368100767	 1.3435661731	 0.094399
+H	-3.0346209927	 0.579181376	 1.6313127619	 0.090703
+H	-3.9671461031	-1.2896513647	 0.2698401875	 0.112941
+H	-3.6421446994	 0.1795798983	-0.6289208306	 0.116137
+H	-2.8484640965	-1.6916275122	-2.0519811827	 0.089472
+H	-0.5422785675	-2.2951489403	-1.7744052907	 0.086541
+H	 0.7247210602	-1.9228395807	 0.2049917625	 0.076361
+H	-1.4166904676	-2.9457606482	 1.3682016078	 0.099844
+H	-0.2323871623	-2.063840102	 2.3587587928	 0.105303
+19
+0 601	2.2103591	2.0527135	1.7742597	0.6276	75.09	-0.23822	0.01443	0.25265	913.8828	0.160196	-422.558023	-422.550865	-422.549921	-422.589332	28.626
+C	-0.4425058011	-0.6591548263	-0.4159289269	-0.082176
+O	-1.5657316633	 0.2136162904	-0.3922740169	-0.273731
+C	-1.3896186594	 1.3455191459	 0.4664403395	 0.030438
+C	-0.6478426242	 0.9142477532	 1.7347660554	-0.079278
+O	 0.6647058613	 0.4449812161	 1.4454681259	-0.276329
+C	 0.8376340204	-0.0043019625	 0.1014349393	 0.069517
+C	 1.3717413005	 1.1410266819	-0.7794975951	-0.258072
+C	 0.5126682688	 2.3757469509	-0.8051682227	-0.039464
+C	-0.6917693379	 2.4879113643	-0.2499545858	-0.062534
+H	-0.6506965616	-1.5453674667	 0.2028585043	 0.098894
+H	-0.3023730309	-0.9994801254	-1.4490152724	 0.104501
+H	-2.4015348803	 1.655519646	 0.7462395454	 0.081698
+H	-0.5493817829	 1.755913861	 2.4289143315	 0.10847
+H	-1.2321491088	 0.1249067246	 2.2323895763	 0.09649
+H	 1.6080131397	-0.7840131791	 0.1434110646	 0.082577
+H	 2.3674310317	 1.4157255338	-0.4060448973	 0.114977
+H	 1.5331914335	 0.7673350547	-1.8019869856	 0.105152
+H	 0.9400302927	 3.2339498377	-1.319976739	 0.091054
+H	-1.2285989279	 3.4305580594	-0.3096269006	 0.087816
+19
+0 602	2.2446271	2.041738	1.7796106	2.2565	74.4	-0.2372	0.01087	0.24806999999999998	910.2322	0.160555	-422.564462	-422.557381	-422.556437	-422.59568	28.438
+C	-0.6676474416	-0.285851321	-1.1607915037	-0.074969
+O	-1.8157764019	 0.263742714	-0.508433729	-0.255584
+C	-1.4957540821	 1.2660208453	 0.4294563324	 0.139742
+O	-0.798884814	 0.7237627533	 1.5388715107	-0.263753
+C	 0.149566524	-0.2766640503	 1.1780508617	-0.057134
+C	 0.5946072461	-0.1585883022	-0.2827133384	-0.084153
+C	 1.3724387965	 1.1414062596	-0.5746256155	-0.260762
+C	 0.5149816932	 2.3784204361	-0.6084463703	-0.062728
+C	-0.7457080332	 2.4390146586	-0.1866528978	-0.056893
+H	-0.9090376423	-1.3386754423	-1.3392849502	 0.109256
+H	-0.5176915019	 0.1996140612	-2.1352515301	 0.098119
+H	-2.4555733128	 1.607883892	 0.8248653662	 0.08948
+H	 1.00125946	-0.173961082	 1.8600570131	 0.102209
+H	-0.2913676523	-1.2720949926	 1.3384014018	 0.097229
+H	 1.2581236589	-1.0043997256	-0.4959416865	 0.077651
+H	 2.1826279087	 1.2642624062	 0.1595677542	 0.111293
+H	 1.8763648104	 1.0431680386	-1.5461427769	 0.106766
+H	 0.978589096	 3.2699236367	-1.0257164485	 0.091931
+H	-1.3037829618	 3.3671238445	-0.2700981931	 0.0923
+19
+0 603	2.2160737	2.2008555	1.8940015	0.6968	72.62	-0.22306	0.07261	0.29567	878.8343	0.161032	-422.542612	-422.535917	-422.534973	-422.573335	27.64
+C	-0.5029424648	 1.2573418712	-1.1617851869	-0.219593
+C	 0.5434434132	 2.2492617505	-1.7285421217	-0.207928
+C	 1.8174988695	 2.3251258734	-0.8762889086	 0.048419
+C	 1.6162239494	 2.802363422	 0.5627702818	-0.074409
+O	 0.6802806957	 1.9979371105	 1.2730287925	-0.25883
+C	 0.7568709062	 0.624977723	 0.9965053551	 0.046222
+C	 0.1135111379	 0.1556476071	-0.3074335649	-0.126343
+C	 1.6175782389	 0.1259250678	-0.1314975801	 0.060066
+O	 2.4245770435	 1.028685203	-0.8332624613	-0.263357
+H	-1.2328707132	 1.8002070037	-0.5517284235	 0.113874
+H	-1.0563013369	 0.808742142	-1.9918215674	 0.100167
+H	 0.8592192229	 1.9256812095	-2.7255140997	 0.109345
+H	 0.1042520197	 3.2463057172	-1.8391959455	 0.097468
+H	 2.5535974397	 2.9758109445	-1.3588452594	 0.086773
+H	 2.5941613853	 2.7892575404	 1.0662057486	 0.101273
+H	 1.2225033724	 3.8232591482	 0.5903660279	 0.106688
+H	 0.6480402505	 0.0285632004	 1.8973322015	 0.094419
+H	-0.4101495079	-0.7951468942	-0.2929818973	 0.083252
+H	 2.1257963481	-0.8264823301	-0.0269801212	 0.102493
+19
+0 604	2.249311	2.1753253	1.8566673	1.9939	72.26	-0.22949	0.07018	0.29967	883.5286	0.161206	-422.553058	-422.546278	-422.545334	-422.584101	27.573
+C	 2.979313297	 0.0277618847	 1.3215066087	-0.239657
+C	 2.1640974515	 1.0390257644	 2.165260009	-0.230688
+C	 1.006273606	 1.6909422512	 1.396554987	 0.167739
+O	-0.0601889009	 0.8287419206	 1.0888142648	-0.261824
+C	 0.237781562	-0.2420962274	 0.1910308863	-0.08379
+C	 1.3879278786	 0.047070978	-0.7574322096	-0.12539
+C	 2.7915580329	 0.215601167	-0.1765057776	-0.086798
+C	 2.0245159299	 1.4081198576	-0.6820229474	 0.104625
+O	 1.5016348972	 2.3321572228	 0.2330154151	-0.252333
+H	 4.0405276795	 0.1321243329	 1.5666402416	 0.105075
+H	 2.7084310016	-0.9994054617	 1.594482161	 0.106531
+H	 1.7685407226	 0.5685359083	 3.0699348311	 0.106908
+H	 2.812092779	 1.8609320338	 2.4855420205	 0.112232
+H	 0.5566446463	 2.4854728161	 1.9969057816	 0.094236
+H	 0.4307336663	-1.1618012363	 0.7663735221	 0.094582
+H	-0.6799256021	-0.4068602643	-0.3824914128	 0.114171
+H	 1.304553712	-0.4282525672	-1.7292888277	 0.089207
+H	 3.6080997449	-0.1370123232	-0.7989283505	 0.083973
+H	 2.3378606557	 1.9165346027	-1.5865527734	 0.101202
+19
+0 605	2.2001828	2.1985369	1.8897776	2.24	73.26	-0.21366	0.0708	0.28446	880.2544	0.160802	-422.53802	-422.531189	-422.530245	-422.56912	27.596
+C	-1.3715297881	 1.2679901352	-1.2968560016	-0.052786
+O	-1.6885111272	 2.4204736304	-0.5260879708	-0.258987
+C	-0.6429924847	 3.0798151128	 0.1292818571	 0.069844
+C	 0.8024816905	 2.6394640541	-0.012036695	-0.140485
+C	 1.083402419	 1.4706145428	-0.9309196409	-0.229329
+C	-0.1179899348	 0.5222510564	-0.8211366345	-0.094216
+C	-0.2190284956	 0.0306797372	 0.62870062	-0.052713
+O	-0.4265931583	 1.0673483921	 1.5800303099	-0.259081
+C	 0.0384003826	 2.3491837488	 1.2666070504	 0.069965
+H	-2.2555085316	 0.6227188775	-1.2454572635	 0.105678
+H	-1.2272339583	 1.5540068738	-2.3514426166	 0.088965
+H	-0.8655974762	 4.137570273	 0.228131493	 0.096303
+H	 1.558784532	 3.4180060222	 0.0349108392	 0.087395
+H	 1.2122678276	 1.8126524255	-1.9646757487	 0.099696
+H	 2.0073854052	 0.9592161615	-0.635987634	 0.099699
+H	 0.0201554287	-0.3532983233	-1.4663520842	 0.07909
+H	-1.0609741006	-0.6596402465	 0.7514410479	 0.105667
+H	 0.7034438587	-0.5201440683	 0.8744745782	 0.088978
+H	 0.2985444212	 2.8888844447	 2.171707324	 0.096317
+19
+0 606	2.2861547	2.1712765	1.8325562	2.4132	73.13	-0.24615	0.07311	0.31926	878.1109	0.161055	-422.557778	-422.550862	-422.549918	-422.589195	27.583
+C	 2.2999357785	-0.1984978256	-1.3793571677	-0.088907
+O	 3.3795791395	 0.0917939227	-0.4913184191	-0.275109
+C	 3.160872805	 0.9784513849	 0.5832620409	 0.191629
+C	 2.1998839305	 2.1179288886	 0.2323678857	-0.251664
+C	 0.8495990377	 1.514268056	-0.0953270139	-0.0682
+C	 0.9312344778	 0.2456329418	-0.904738203	-0.062794
+C	 0.5442609828	 0.181472469	 0.5550010231	-0.074466
+C	 1.4849662513	-0.3879579004	 1.6053293188	-0.089647
+O	 2.7144021612	 0.3150004076	 1.746461438	-0.259762
+H	 2.510456174	 0.2756538343	-2.3502619602	 0.099751
+H	 2.3128255632	-1.2840260198	-1.5429301682	 0.108282
+H	 4.1511490396	 1.3560047803	 0.8504314388	 0.09201
+H	 2.1431242542	 2.7936574036	 1.0914819986	 0.110041
+H	 2.5933025262	 2.6864545364	-0.6188638775	 0.103381
+H	 0.0306448931	 2.2035342426	-0.2749500927	 0.082606
+H	 0.1449306366	 0.0458452255	-1.6273684139	 0.085982
+H	-0.5009935427	-0.0400702304	 0.7484485912	 0.088135
+H	 1.0029123496	-0.3467561611	 2.5883395543	 0.108427
+H	 1.6918562216	-1.4469792758	 1.3878590466	 0.100303
+19
+0 607	2.2400377	2.1616173	1.8856631	1.4582	73.18	-0.23113	0.07353	0.30466	879.8089	0.160867	-422.544886	-422.53802	-422.537076	-422.576009	27.668
+C	 1.0085336375	-0.969104423	-1.0569621259	-0.082466
+O	 2.3427698472	-0.6661161705	-1.4664652225	-0.277928
+C	 3.0082476878	 0.3734201728	-0.7636154742	 0.065773
+C	 3.2115028096	 0.07440732	 0.7255705833	-0.075553
+O	 2.0000178684	-0.055009714	 1.4616045026	-0.265622
+C	 0.8689053613	 0.6148946284	 0.9732165943	 0.103623
+C	 0.2706628767	 0.1462120345	-0.3305484636	-0.10885
+C	 0.9119744624	 1.5213892379	-0.2299143217	-0.098219
+C	 2.2454392822	 1.6918330643	-0.9233040703	-0.234795
+H	 0.4692183937	-1.2338919785	-1.9731388787	 0.106003
+H	 1.0243862155	-1.8606485228	-0.4120610837	 0.104565
+H	 3.9973636599	 0.4382083831	-1.2288236943	 0.086752
+H	 3.7477396619	-0.8710895894	 0.8530275415	 0.112867
+H	 3.830117141	 0.8793656438	 1.1541711521	 0.091153
+H	 0.2067502938	 0.8677943501	 1.7947244194	 0.095963
+H	-0.8110359208	 0.0853595406	-0.4029717231	 0.087107
+H	 0.2506637779	 2.3828222817	-0.2208999091	 0.085116
+H	 2.1131593406	 1.91262934	-1.9877379738	 0.105788
+H	 2.8160562234	 2.5151802311	-0.477037592	 0.098723
+19
+0 608	3.1994655	1.5793846	1.2166723	2.263	76.49	-0.24793	0.01605	0.26398	1046.004	0.159858	-422.573084	-422.565646	-422.564702	-422.605198	28.749
+C	-0.3134122686	 0.3687864063	-1.2825034013	-0.073567
+C	 0.0149845094	-0.0922691536	 0.1459233025	-0.249757
+C	 0.8929909814	 1.0675834165	 0.6698195897	-0.080274
+C	 1.858937028	 0.7420731743	 1.773926884	-0.0887
+C	 3.1610220847	 0.6068986573	 1.5339178409	-0.073221
+C	 3.7197988039	 0.7168365563	 0.1412077291	-0.122098
+O	 2.7240448207	 0.6249099116	-0.8604421003	-0.265419
+C	 1.6135700834	 1.4802897634	-0.6212580129	 0.219899
+O	 0.7048381376	 1.3116636664	-1.6581569674	-0.260661
+H	-0.320786174	-0.4569021781	-2.0013576535	 0.111311
+H	-1.2834033651	 0.8787096619	-1.337278073	 0.100892
+H	-0.8800993627	-0.2635147536	 0.7478998608	 0.102656
+H	 0.6028362972	-1.0129548025	 0.1303159312	 0.120308
+H	 0.2423481099	 1.8964153163	 0.9788073535	 0.08303
+H	 1.4644685029	 0.6412404237	 2.7815086469	 0.091864
+H	 3.8686563687	 0.4139547799	 2.3356638441	 0.094375
+H	 4.294377979	 1.6567436898	 0.0387644842	 0.099513
+H	 4.4223290526	-0.1007162946	-0.0566190528	 0.120119
+H	 1.9528795009	 2.5274574086	-0.6219510856	 0.069728
+19
+0 609	3.2746505	1.522992	1.0990132	0.6912	76.49	-0.2386	0.01271	0.25131000000000003	1096.2135	0.159538	-422.555096	-422.54765	-422.546706	-422.587053	29.002
+C	-0.3011126682	 0.3475947009	-1.3120620333	-0.071385
+C	-0.0893571752	 0.0638312539	 0.2082635856	-0.319699
+C	 0.7605385079	 1.2647159088	 0.6011668425	 0.149202
+O	 1.6063378178	 1.1308672158	 1.7167995927	-0.272115
+C	 2.3254362918	 2.344703661	 1.9361028011	-0.129115
+C	 2.7156028616	 3.1047653446	 0.6864396362	-0.058074
+C	 2.3561268186	 2.7402355741	-0.5455070023	-0.148072
+C	 1.5730639103	 1.4726012485	-0.6725925413	 0.11527
+O	 0.5899790335	 1.4185145779	-1.6901004008	-0.28427
+H	-0.08833265	-0.5444149344	-1.9152419825	 0.102426
+H	-1.3197251539	 0.6760576082	-1.5382975975	 0.112026
+H	-1.0312949755	-0.0101462896	 0.7551973063	 0.109178
+H	 0.4748082393	-0.8596631126	 0.3689294785	 0.11749
+H	 0.1103915797	 2.1469091239	 0.7211942194	 0.073691
+H	 1.7334689608	 3.0165327148	 2.5837220231	 0.105682
+H	 3.2207699502	 2.0693483731	 2.506334904	 0.121815
+H	 3.3093297294	 3.9989515032	 0.8595061941	 0.098254
+H	 2.6477556299	 3.2980266164	-1.4295552699	 0.102414
+H	 2.2719774421	 0.6216282114	-0.7817408457	 0.075282
+19
+0 610	3.2886328	1.5017094	1.0907555	1.5292	76.19	-0.24024	0.01248	0.25272	1100.8383	0.159696	-422.564097	-422.55661	-422.555666	-422.59625	28.906
+C	-0.2457747462	 0.865365066	-0.8004352176	 0.009146
+O	 0.3385666351	-0.075378208	 0.1004025936	-0.295362
+C	 1.7135348542	 0.2770927224	 0.1536143256	 0.150059
+C	 2.4987862721	-0.0983659445	 1.3901793005	-0.26822
+C	 3.9396001847	 0.4542167769	 1.1866571355	-0.260804
+C	 4.0332791336	 1.7382902614	 0.3823705595	-0.029121
+C	 3.002488847	 2.3550817984	-0.2013445979	-0.141919
+C	 1.6377566703	 1.7849528103	 0.0158073902	 0.120148
+O	 0.6875318928	 1.9158590798	-1.03594641	-0.290603
+H	-0.4762194025	 0.4022918643	-1.7696791863	 0.105477
+H	-1.1673219782	 1.2434758217	-0.3347251909	 0.102006
+H	 2.2311500032	-0.118775619	-0.7361056476	 0.073438
+H	 2.0323659879	 0.350336519	 2.2742009064	 0.10965
+H	 2.5260660323	-1.1800732608	 1.5491885076	 0.108014
+H	 4.4199308164	 0.6006993818	 2.1619662772	 0.114859
+H	 4.55357651	-0.3035158017	 0.6792768577	 0.119079
+H	 5.0338150584	 2.1527465656	 0.281036369	 0.093861
+H	 3.1224878248	 3.2720048816	-0.7690045277	 0.102004
+H	 1.201699054	 2.2038587048	 0.9411107052	 0.078286
+19
+0 611	3.2404911	1.5322219	1.1734363	2.2026	76.33	-0.24302	0.01385	0.25687	1061.431	0.159824	-422.56363	-422.556223	-422.555279	-422.595631	28.722
+C	 1.6657624177	 0.7840619435	 0.0774026959	-0.092024
+O	 0.3824600699	 0.4508214566	 0.6066466562	-0.257939
+C	-0.5965610251	 0.7501651678	-0.3757307739	-0.086038
+C	 0.0897641254	 0.4122221176	-1.713302592	-0.055386
+C	-0.5092805325	 0.992805968	-2.9606941909	-0.094086
+C	 0.0781908616	 1.991890197	-3.6145818154	-0.071274
+C	 1.3387547194	 2.6322786442	-3.1027919673	-0.122796
+O	 1.6026196922	 2.3291965661	-1.7464892642	-0.266682
+C	 1.5112877742	 0.9421309938	-1.4448531791	 0.069925
+H	 2.0345850708	 1.7297562222	 0.4950009663	 0.111016
+H	 2.3604100799	-0.0177605564	 0.3479037787	 0.103115
+H	-1.4833613142	 0.146795041	-0.1640524867	 0.105472
+H	-0.8759444319	 1.8146493361	-0.3564434176	 0.097495
+H	 0.1344017468	-0.6815909461	-1.7965726376	 0.085193
+H	-1.4320924456	 0.554137511	-3.3312334864	 0.093041
+H	-0.3294332213	 2.3803434665	-4.5438532276	 0.095441
+H	 2.1953220358	 2.3457780021	-3.7416364736	 0.098062
+H	 1.2613252684	 3.7244266567	-3.1536371585	 0.119658
+H	 2.2745031385	 0.3872393021	-2.0095749363	 0.067807
+19
+0 612	2.1932016	2.1100367	1.8237585	1.9718	74.14	-0.25019	-0.00807	0.24212000000000003	900.0912	0.160859	-422.563075	-422.556072	-422.555128	-422.594279	28.422
+C	-0.3562426034	 1.8374996996	 0.9004962455	-0.20604
+C	-1.4669338417	 1.1909154147	 0.0347490964	-0.206031
+C	-1.3232506511	-0.3417844016	-0.0319095728	 0.073839
+O	-0.222778896	-0.6730493259	-0.9058565264	-0.274088
+C	 1.035224788	-0.8152022236	-0.2955777766	 0.030739
+O	 1.4750452171	 0.3164497761	 0.41219325	-0.274122
+C	 0.6118709294	 0.7834228742	 1.4711811483	 0.073867
+C	-0.1879941828	-0.3317273855	 2.1131438889	-0.092049
+C	-1.1452634887	-0.8878427216	 1.3699740787	-0.091808
+H	 0.2328635338	 2.5490346441	 0.3154904199	 0.110058
+H	-0.7951991179	 2.3901109302	 1.7379677502	 0.097231
+H	-2.456241778	 1.4262444741	 0.4413165758	 0.097244
+H	-1.4380714843	 1.5725190324	-0.9895131131	 0.110179
+H	-2.2023735874	-0.7751623525	-0.5162252374	 0.077008
+H	 1.0427031125	-1.6984148563	 0.3578723869	 0.085032
+H	 1.7497144368	-0.9562999472	-1.1100504529	 0.113757
+H	 1.2861266421	 1.2521030968	 2.192971372	 0.076985
+H	 0.0400426032	-0.6568369432	 3.1227326609	 0.099082
+H	-1.7654923115	-1.7058550646	 1.7208894756	 0.099115
+19
+0 613	2.1988072	2.0962772	1.8066399	0.7305	74.21	-0.24008	0.00106	0.24114	903.0021	0.16052	-422.552472	-422.545503	-422.544558	-422.583316	28.607
+C	-2.0499153863	 0.543728745	 0.805229223	-0.097229
+O	-2.911380804	-0.0081887121	-0.1872636838	-0.278799
+C	-2.2774963898	-0.3902456753	-1.4177311033	 0.061127
+C	-2.0393324435	 0.8563522982	-2.3050282741	-0.229046
+C	-1.5786178022	 2.0690691482	-1.4832709714	-0.062395
+O	-0.4800584206	 1.8459755763	-0.6072687709	-0.276561
+C	-0.6104937185	 0.758225665	 0.3155995178	 0.047149
+C	-0.139065648	-0.5475972916	-0.2929665217	-0.073377
+C	-0.9759951557	-1.1184381935	-1.1522689212	-0.071409
+H	-2.4821119885	 1.4949248913	 1.1415414749	 0.108112
+H	-2.014758803	-0.1351048095	 1.6681641052	 0.10113
+H	-2.9963259662	-1.0555359715	-1.9035233422	 0.080901
+H	-1.3111616811	 0.6103570604	-3.0853070395	 0.104602
+H	-2.9736277005	 1.1415010911	-2.802741526	 0.100227
+H	-1.2510371517	 2.8710547369	-2.1516665575	 0.105476
+H	-2.4410096658	 2.4498127578	-0.9184186271	 0.102723
+H	 0.0067034893	 1.0404671607	 1.174031435	 0.082408
+H	 0.8201756332	-0.9692375614	-0.0135636914	 0.096774
+H	-0.767062667	-2.049569776	-1.6692743159	 0.098188
+19
+0 614	2.2377236	2.0611857	1.7996945	1.9224	74.55	-0.23738	0.00666	0.24404	903.7425	0.160472	-422.551352	-422.54431	-422.543365	-422.582345	28.521
+C	-1.3330477176	 1.7779382132	 1.2316258754	-0.049774
+O	-1.465672561	 2.0213914787	-0.1674683783	-0.266077
+C	-0.4465625466	 1.4509220215	-0.9892257349	 0.041343
+C	 0.8527927521	 2.2907521714	-0.8734430626	-0.083471
+O	 1.1194232738	 2.7396873887	 0.4407691822	-0.236444
+C	 1.1924250665	 1.7503144058	 1.4517391605	-0.075541
+C	-0.103734988	 0.9084652382	 1.5860990425	-0.113195
+C	-0.0908022645	-0.2819951235	 0.6548790755	-0.080946
+C	-0.2385995517	-0.0078605684	-0.6371790015	-0.075956
+H	-1.2657582111	 2.7459908848	 1.7432693401	 0.10473
+H	-2.2434663253	 1.2686725946	 1.5732766371	 0.094782
+H	-0.8156558064	 1.5455001875	-2.0155133333	 0.082631
+H	 1.6983122497	 1.7135992988	-1.2831498264	 0.085444
+H	 0.7451824346	 3.2078344636	-1.4601691707	 0.11059
+H	 2.0548807038	 1.0842974707	 1.2925208281	 0.090175
+H	 1.3651143056	 2.3150861449	 2.3738488077	 0.106546
+H	-0.1937405439	 0.5886055035	 2.6292197871	 0.075281
+H	 0.0213186513	-1.2885825752	 1.0443359052	 0.093951
+H	-0.2525536113	-0.7619190787	-1.4169900836	 0.095931
+19
+0 615	2.2208796	2.0962474	1.8103627	2.1579	73.99	-0.23808	0.00468	0.24276	900.9766	0.160764	-422.561168	-422.55424	-422.553296	-422.591972	28.484
+C	-0.5410750898	 2.3936465817	-0.1297059502	-0.076616
+O	 0.6086059724	 1.9912007457	 0.6230881602	-0.266837
+C	 1.443345722	 1.0208201627	 0.0306281551	 0.158306
+O	 0.9782652458	-0.3057016732	 0.2793587156	-0.268958
+C	-0.4340920703	-0.4529218916	 0.3113548511	-0.060594
+C	-1.1897970578	 0.055823579	-0.9303463617	-0.22672
+C	-0.7919041636	 1.4951578268	-1.3533146813	-0.075977
+C	 0.4964321119	 1.4877082452	-2.1484672593	-0.094463
+C	 1.6069665005	 1.2579324686	-1.4574304357	-0.060789
+H	-1.3962375787	 2.3675780751	 0.557136718	 0.103537
+H	-0.3976971263	 3.4309650327	-0.4593852167	 0.10166
+H	 2.3969732746	 1.088196733	 0.5604301939	 0.088695
+H	-0.6073806646	-1.5259639426	 0.4358786713	 0.104115
+H	-0.831693658	 0.0487692131	 1.2040240163	 0.103384
+H	-1.0294771843	-0.6201966002	-1.7763138722	 0.106318
+H	-2.2597891985	 0.0230171597	-0.6897015572	 0.095987
+H	-1.605085837	 1.935410265	-1.9387270119	 0.072535
+H	 0.4849903907	 1.6607550269	-3.2197775753	 0.095655
+H	 2.5995198711	 1.2192402324	-1.89179334	 0.100761
+19
+0 616	2.6217113	2.0642526	1.5705174	1.7905	73.15	-0.24978	0.07798	0.32776	912.0539	0.160887	-422.552649	-422.545961	-422.545017	-422.583595	27.476
+C	-0.9658679952	-0.3551632029	-0.9168295285	-0.236498
+C	-0.7512895159	-1.5781038062	 0.0027358562	-0.19759
+C	 0.1297739711	-1.0542845889	 1.1491054066	 0.109897
+O	-0.7381084285	-0.4925790436	 2.1576864176	-0.270497
+C	-0.5625880301	 0.8691647677	 2.4055496515	 0.015715
+O	-0.6248799932	 1.638763004	 1.2241073589	-0.23808
+C	 0.4768934022	 1.358588666	 0.4067935478	 0.090123
+C	 0.3296823483	 0.4490957824	-0.7831637603	-0.077186
+C	 1.0521504334	-0.0319773548	 0.471492598	-0.155648
+H	-1.1500806345	-0.6443706178	-1.9539145711	 0.097074
+H	-1.8199560188	 0.2385779715	-0.5774560968	 0.12258
+H	-1.6753483009	-2.024660824	 0.3790912058	 0.105087
+H	-0.1914990057	-2.3494830442	-0.5397799347	 0.093937
+H	 0.703850558	-1.8515053784	 1.6327394767	 0.07964
+H	-1.3946148763	 1.1838559954	 3.0392100941	 0.116147
+H	 0.3976999056	 1.0618593257	 2.914002258	 0.078685
+H	 1.1635132618	 2.1980749095	 0.3154587921	 0.091791
+H	 0.8900552135	 0.7100563819	-1.6737094073	 0.086011
+H	 2.1244648353	-0.1756098234	 0.5203262755	 0.08881
+19
+0 617	2.6399701	2.0073464	1.5474481	1.7222	73.42	-0.23125	0.0792	0.31045	920.6313	0.160455	-422.543557	-422.536721	-422.535776	-422.574689	27.739
+C	 3.9378719195	 0.1404343248	 0.2178977897	-0.086269
+O	 3.5264427264	 0.8239096189	 1.4071521122	-0.258738
+C	 2.2641627075	 1.3852592782	 1.157802021	 0.085545
+C	 1.071839541	 0.4887852738	 1.365342148	-0.069322
+C	 1.2248045375	-0.9107518855	 1.9383975214	-0.246731
+C	 1.2615344384	-1.9137101667	 0.7858574463	-0.052337
+O	 2.3620257095	-1.695378361	-0.0835083851	-0.28267
+C	 2.6494457741	-0.3484496629	-0.4706955648	 0.092102
+C	 1.6385461265	 0.7143507257	-0.0331093502	-0.154559
+H	 4.4829581271	 0.833435419	-0.4414262144	 0.089112
+H	 4.5917893528	-0.6880755562	 0.4985843034	 0.117819
+H	 2.1976591988	 2.4529517946	 1.3422371062	 0.094741
+H	 0.13532533	 0.9984221241	 1.570632865	 0.087988
+H	 2.1510310839	-0.9872440977	 2.5175263014	 0.122678
+H	 0.390188836	-1.1447670831	 2.60594899	 0.097896
+H	 1.3802212667	-2.9399131717	 1.1472155989	 0.104184
+H	 0.3118314908	-1.860321683	 0.2281477481	 0.084131
+H	 2.7683062766	-0.3581777494	-1.5596313482	 0.083458
+H	 1.0688552369	 1.2498308981	-0.7814089391	 0.090971
+19
+0 618	2.5196131	2.0687228	1.6483395	2.3755	73.37	-0.22234	0.07817	0.30051	903.7166	0.160628	-422.542437	-422.535631	-422.534687	-422.573409	27.552
+C	 3.0676438323	 0.3720427933	 3.359173223	-0.073232
+O	 1.6733207934	 0.4680285368	 3.6662930188	-0.255213
+C	 1.054838213	 1.247663054	 2.6796905655	 0.094759
+C	 0.6937374144	 0.6085672884	 1.3592533952	-0.090363
+C	 0.7834431274	-0.8768500114	 1.0585129459	-0.092873
+O	 1.9968301258	-1.4965293387	 1.451158676	-0.239603
+C	 3.148638202	-0.7635604096	 1.0816951355	-0.090392
+C	 3.2030874324	 0.5718533275	 1.8309725751	-0.056701
+C	 1.9691422031	 1.4258289756	 1.5032245267	-0.134471
+H	 3.6222816029	 1.1498846478	 3.9046734171	 0.089209
+H	 3.4157926481	-0.6089718244	 3.6947638426	 0.113788
+H	 0.4372932167	 2.0505251495	 3.071583627	 0.092976
+H	-0.1204932676	 1.0976253681	 0.8292394874	 0.087669
+H	-0.0099199703	-1.4293679716	 1.5720576592	 0.116355
+H	 0.6377532969	-1.0117423689	-0.0277667267	 0.086847
+H	 4.0022593426	-1.397100043	 1.3442309046	 0.104311
+H	 3.174397109	-0.5897753044	-0.0078958354	 0.083908
+H	 4.1268612853	 1.0993115107	 1.5759828888	 0.075935
+H	 2.0899100125	 2.3690849204	 0.9847274237	 0.087093
+19
+0 619	2.7542527	1.9311505	1.5709433	2.6098	72.81	-0.22052	0.07689	0.29741	918.8381	0.160598	-422.537323	-422.530408	-422.529464	-422.568623	27.643
+C	 0.2764881217	 2.4517121615	-0.0157316593	-0.075424
+O	-0.6205357791	 1.4031240526	-0.383567307	-0.254803
+C	-0.106604054	 0.1772654829	 0.0337310332	 0.079979
+C	 1.2520244325	-0.2620402382	-0.4603522109	 0.042773
+O	 1.8985209249	 0.5167723171	-1.4199585296	-0.24423
+C	 3.1049096276	 1.0822725597	-0.9037051706	-0.064091
+C	 2.8225408441	 2.0955932421	 0.2318330171	-0.238887
+C	 1.426672963	 1.8531935044	 0.8527196975	-0.038766
+C	 1.0940972408	 0.3620806053	 0.9157969468	-0.169795
+H	 0.6763917359	 2.9137867662	-0.9241937914	 0.105774
+H	-0.2959497582	 3.2102450669	 0.5328208963	 0.096424
+H	-0.877429343	-0.5635790114	 0.2151444586	 0.101823
+H	 1.4526408212	-1.3317033214	-0.5302430637	 0.083226
+H	 3.7599397396	 0.2761465422	-0.5436997834	 0.09404
+H	 3.5994439361	 1.5578175532	-1.7539214849	 0.110376
+H	 3.5963858413	 2.003632167	 1.00137451	 0.099406
+H	 2.8781609841	 3.1229745597	-0.1442044236	 0.103604
+H	 1.3977651289	 2.2851694353	 1.855867992	 0.079439
+H	 1.2739334024	-0.1995516651	 1.8243245528	 0.089133
+19
+0 620	2.6838229	2.005903	1.5945458	1.9987	73.52	-0.23156	0.08036	0.31192	912.8921	0.160461	-422.54661	-422.539639	-422.538695	-422.578009	27.714
+C	-0.7582133037	-0.384339317	-1.0631672208	-0.083066
+O	-0.8322292718	-1.2713132453	 0.0472627192	-0.277855
+C	 0.2751718128	-1.1208558194	 0.9420951354	 0.117733
+C	-0.2714677226	-0.7495257552	 2.3361345557	-0.235605
+C	-0.5221404388	 0.7700983995	 2.4578898727	-0.065002
+O	-0.6803555927	 1.3949533671	 1.1821799151	-0.247032
+C	 0.4843824606	 1.3097688989	 0.4193607924	 0.087955
+C	 0.4506311151	 0.5057194895	-0.8520131165	-0.109632
+C	 1.168482766	-0.0308763595	 0.3632995544	-0.143462
+H	-0.6505153366	-0.9563151652	-1.995684664	 0.092786
+H	-1.6942293817	 0.1856269046	-1.1131591117	 0.1107
+H	 0.8127048722	-2.0758705775	 0.9973462248	 0.074351
+H	-1.1957504524	-1.3141031587	 2.484316732	 0.11693
+H	 0.4356091975	-1.0696562808	 3.1097304883	 0.093053
+H	-1.4425969381	 0.9819030345	 3.0067398264	 0.111028
+H	 0.3067610159	 1.2526907373	 2.9960293356	 0.089569
+H	 1.0989514685	 2.2093724264	 0.4373963089	 0.083648
+H	 0.9917015157	 0.8714563067	-1.7168366538	 0.09302
+H	 2.2451915143	-0.124720816	 0.429723786	 0.090881
+19
+0 621	2.5009354	2.0952474	1.6372408	2.3577	73.31	-0.22958	0.07354	0.30312	903.5729	0.160943	-422.547886	-422.541157	-422.540212	-422.578727	27.432
+C	-0.8494813741	-0.3944752212	-0.9616426207	-0.091093
+O	-1.612442184	 0.3893068851	-0.0426831898	-0.265768
+C	-0.7509202693	 0.9189065426	 0.9653362368	 0.083065
+C	-0.7646747594	-0.0111414281	 2.1812625387	-0.086836
+O	-0.3017734222	-1.3027944799	 1.8282844739	-0.243751
+C	 1.0602262329	-1.3219430192	 1.4420945534	-0.107436
+C	 1.4226381554	-0.2818057621	 0.399603335	-0.046803
+C	 0.6020667358	 0.0564297134	-0.827312623	-0.0818
+C	 0.6445000869	 1.0100167543	 0.3408095609	-0.102365
+H	-0.9858381152	-1.4621567483	-0.7509293919	 0.10724
+H	-1.2234118763	-0.1914542126	-1.9718909234	 0.099204
+H	-1.1315944378	 1.9060903582	 1.2505024318	 0.078473
+H	-0.1602130681	 0.4207506722	 2.9983286912	 0.07849
+H	-1.7896356358	-0.1465335212	 2.5362774631	 0.114027
+H	 1.7028417357	-1.1591008327	 2.3257209716	 0.089657
+H	 1.2533409978	-2.3363711912	 1.0764982017	 0.110229
+H	 2.4973772811	-0.1946069865	 0.2566760334	 0.086938
+H	 1.1465853179	 0.2812209414	-1.7372635748	 0.091276
+H	 1.1447588687	 1.969610736	 0.2963450322	 0.087252
+19
+0 622	2.7484288	1.9534178	1.5811528	2.682	73.18	-0.24721	0.07864	0.32585000000000003	915.0846	0.16075	-422.556602	-422.549745	-422.548801	-422.58765	27.715
+C	-0.7315702093	-0.4164227318	-1.089871673	-0.100191
+O	-1.4527025339	-0.1519643028	 0.1063670889	-0.277059
+C	-0.7828370572	 0.8006421263	 0.9412786915	 0.218533
+O	-0.7614119616	 0.3232210618	 2.2574732033	-0.261939
+C	 0.2609276547	-0.6238081878	 2.5810356804	-0.04598
+C	 0.8822314522	-1.3202046967	 1.3636192758	-0.25656
+C	 1.394584732	-0.2637618139	 0.3883896741	-0.049306
+C	 0.6665099003	 0.1250792051	-0.878977654	-0.080254
+C	 0.5918527562	 1.0176297659	 0.3262813659	-0.12409
+H	-0.7628028892	-1.4980841611	-1.2756703304	 0.104467
+H	-1.2051280953	 0.0845306516	-1.9472774615	 0.098582
+H	-1.3803121014	 1.7174773731	 0.9898004405	 0.083516
+H	 1.0554774752	-0.1016564012	 3.1350243624	 0.091947
+H	-0.1957930021	-1.3516301162	 3.2595227805	 0.106043
+H	 1.7081747201	-1.9501849973	 1.7081234098	 0.097705
+H	 0.1468443446	-1.9819559486	 0.898813686	 0.122925
+H	 2.472345486	-0.1451573186	 0.3452547384	 0.089176
+H	 1.2511198438	 0.4008210705	-1.7487639402	 0.091061
+H	 1.0526472546	 1.9948393519	 0.3894883917	 0.091422
+19
+0 623	3.0799106	1.5809018	1.1778661	2.691	77.47	-0.24727	0.0064	0.25367	1069.7411	0.159664	-422.565901	-422.558312	-422.557368	-422.598356	29.069
+C	-0.8793995811	-0.2537731323	 0.0263270673	-0.057482
+C	 0.6428230385	-0.1224237484	 0.2803098255	-0.338348
+C	 0.6779389424	 1.2542613125	 0.869876398	 0.250713
+C	 1.2306762183	 1.717505661	 1.9854323815	-0.21292
+C	 0.7735898034	 3.0455057144	 2.5388023408	-0.255782
+C	-0.6923779581	 3.2439114881	 2.1405106513	-0.08196
+O	-0.8528885983	 3.180732158	 0.7267941245	-0.255996
+C	-0.360311551	 2.0344748469	 0.1027039906	 0.194794
+O	-1.3877046865	 1.0733798807	-0.1611753904	-0.28113
+H	-1.1100319313	-0.851762008	-0.8616720714	 0.104255
+H	-1.3779823054	-0.7143995011	 0.8897469139	 0.101221
+H	 1.0337744528	-0.8970973764	 0.943234642	 0.112863
+H	 1.1917952191	-0.1725665796	-0.6683055114	 0.115212
+H	 1.9322990891	 1.1147968874	 2.5563781937	 0.090442
+H	 0.8625452412	 3.0517909737	 3.6308873792	 0.106043
+H	 1.379765158	 3.881851846	 2.1665838131	 0.118676
+H	-1.3145050717	 2.4843780537	 2.6352832923	 0.100418
+H	-1.0604180069	 4.2321989947	 2.4274731257	 0.107859
+H	 0.0272562176	 2.3924507788	-0.8641641463	 0.081122
+19
+0 624	3.2121813	1.498188	1.1209256	2.2668	77.6	-0.24446	0.00879	0.25325000000000003	1098.7619	0.159455	-422.55606	-422.54836	-422.547416	-422.589093	29.048
+C	-0.7177914444	-0.254363181	 0.9533395627	-0.063885
+C	 0.7773823108	 0.0088281525	 0.5960483884	-0.356477
+C	 0.6786634593	 1.2792906873	-0.2055743745	 0.340334
+C	 1.4938199265	 2.3227778216	-0.2978318347	-0.23128
+C	 0.9698405243	 3.6094261779	-0.8921560234	-0.125854
+O	-0.4132531238	 3.7646719273	-0.6155588415	-0.235099
+C	-1.1931293478	 2.7192432343	-1.156532825	-0.115152
+C	-0.7315672219	 1.3161689882	-0.7314403305	 0.038378
+O	-1.4935983341	 0.786556958	 0.3521376253	-0.270716
+H	-1.0442179099	-1.2337713371	 0.5764213464	 0.09432
+H	-0.9043563971	-0.2250744533	 2.0304797555	 0.113147
+H	 1.4097031022	 0.1205978561	 1.4798092736	 0.119396
+H	 1.1828911045	-0.8181870085	 0.0019183409	 0.11523
+H	 2.4902184073	 2.3167396349	 0.1354168303	 0.090828
+H	 1.4666084979	 4.4687127304	-0.4317941428	 0.116501
+H	 1.1526561948	 3.6701450144	-1.9806928979	 0.093274
+H	-2.219336433	 2.8801531449	-0.8174382704	 0.126177
+H	-1.1758537789	 2.772730991	-2.2580758033	 0.084147
+H	-0.8283725066	 0.6433156809	-1.603717649	 0.066729
+19
+0 625	3.3664671	1.4468318	1.0769089	2.0582	77.51	-0.24157	0.01115	0.25272	1117.506	0.159671	-422.560412	-422.552915	-422.551971	-422.592415	29.006
+C	-0.2425985951	-1.4869101469	 0.6166158199	-0.112404
+O	 1.120369001	-1.5540663587	 1.0252366731	-0.267301
+C	 1.8757032903	-0.5696225805	 0.3055564511	-0.157567
+C	 0.8531916861	 0.3490674597	-0.3111599814	 0.274978
+C	 0.9286704773	 1.1651740296	-1.3547768907	-0.209641
+C	-0.3067929895	 1.8418353437	-1.8952636225	-0.254925
+C	-1.5271912739	 1.5882461909	-0.9971808245	-0.083071
+O	-1.5701412033	 0.2504461475	-0.5131223527	-0.259573
+C	-0.4709784727	-0.0002640836	 0.3286842302	 0.04161
+H	-0.4323977422	-2.0671793597	-0.2996164631	 0.100631
+H	-0.8537636476	-1.8880159429	 1.4282541199	 0.111978
+H	 2.5389681393	-0.0694713606	 1.022842642	 0.115494
+H	 2.5069536414	-1.0454045587	-0.4589726547	 0.109402
+H	 1.8655997701	 1.3227353126	-1.8846692939	 0.08755
+H	-0.1516410469	 2.9243135628	-1.9935408137	 0.107818
+H	-0.4987242792	 1.4711169681	-2.9117883802	 0.116484
+H	-1.5145012042	 2.2875993118	-0.1454457851	 0.092502
+H	-2.4587192932	 1.7455237293	-1.546770139	 0.109364
+H	-0.5957974778	 0.5377389756	 1.2862135655	 0.07667
+19
+0 626	3.4608623	1.3864929	1.047498	1.017	77.42	-0.24053	0.01141	0.25194	1131.5436	0.15972	-422.559452	-422.55195	-422.551006	-422.591455	28.947
+C	-0.2014122674	-1.4850484318	 0.7699294947	-0.102377
+O	 1.1823184309	-1.5416853943	 1.1090761047	-0.260913
+C	 1.9060139412	-0.6659773891	 0.2435187038	-0.162241
+C	 0.8699078126	 0.2422396759	-0.3764470606	 0.307017
+C	 0.9406154578	 1.0233521432	-1.4470392231	-0.24214
+C	-0.2820499757	 1.7335419867	-1.9695957721	-0.106317
+O	-1.433324282	 1.5720092225	-1.1622383636	-0.251397
+C	-1.5868348688	 0.2625051505	-0.6327462661	-0.112449
+C	-0.4390348041	-0.0354382508	 0.3267833761	-0.093296
+H	-0.4362934364	-2.1848252743	-0.050244745	 0.088241
+H	-0.7695160559	-1.7845931102	 1.6543392248	 0.110943
+H	 2.644958212	-0.1282104882	 0.8509340855	 0.117161
+H	 2.4530585378	-1.2361788064	-0.5224850575	 0.105645
+H	 1.8586585457	 1.1465422086	-2.0168228602	 0.090179
+H	-0.1107050283	 2.8152656315	-2.0328566277	 0.119934
+H	-0.4822280773	 1.3853657359	-3.0001898198	 0.098108
+H	-2.5608419098	 0.254233598	-0.1356935872	 0.109275
+H	-1.6052878115	-0.4883584444	-1.4401959603	 0.088285
+H	-0.5380662809	 0.5983649066	 1.2178318035	 0.09634
+19
+0 627	3.2855411	1.4972977	1.1030082	1.8738	77.52	-0.24608	0.01433	0.26041	1101.7221	0.160058	-422.569622	-422.56231	-422.561366	-422.60135	28.736
+C	 2.1776815255	 0.8823448302	 0.4437723372	-0.255071
+C	 1.0548270298	 1.280883506	-0.551639508	-0.25044
+C	 0.466763815	 2.5828395632	 0.0144800794	 0.044619
+O	-0.9576869874	 2.619242414	-0.1081432899	-0.251069
+C	-1.4923900197	 3.6442795363	 0.6891051035	 0.022117
+O	-1.2500370236	 3.4646091269	 2.0613168388	-0.236352
+C	 0.1472222537	 3.5084632882	 2.3661730396	-0.214393
+C	 0.8768215948	 2.5588367342	 1.4708673578	 0.345779
+C	 1.8012390574	 1.6316123147	 1.7034138553	-0.214046
+H	 2.2343517937	-0.2004324444	 0.6003959735	 0.109256
+H	 3.1679993953	 1.1910159327	 0.0817980466	 0.109407
+H	 1.4050365172	 1.3797022069	-1.5812451789	 0.100928
+H	 0.2565073177	 0.5334226111	-0.536919512	 0.124849
+H	 0.874960506	 3.4785663261	-0.4889843342	 0.066721
+H	-1.0882255735	 4.6234636162	 0.3632744707	 0.06976
+H	-2.5755623609	 3.6212676752	 0.5556166076	 0.117665
+H	 0.518728927	 4.5389134455	 2.2222900488	 0.096963
+H	 0.249137639	 3.2552412796	 3.4242189126	 0.119615
+H	 2.2553962332	 1.4253600472	 2.6675329116	 0.093691
+19
+0 628	3.2786078	1.4756889	1.1008554	1.0508	77.97	-0.23128	0.01248	0.24376	1101.9821	0.159599	-422.563778	-422.556356	-422.555412	-422.595639	28.944
+C	 0.9554093379	 0.4215667993	 0.8093551326	-0.113741
+O	 1.1047381248	 1.6860657789	 0.161451347	-0.284024
+C	 0.1666073862	 1.7920590543	-0.9035347553	 0.053471
+C	-0.6548551867	 3.0851853187	-0.8662453037	-0.225939
+C	-1.8329495828	 2.934835849	-1.8399741283	-0.079833
+O	-2.6626979892	 1.830329489	-1.5097279788	-0.242625
+C	-1.983504451	 0.5800677833	-1.5918061386	-0.199267
+C	-0.7508797435	 0.6072812782	-0.7449501727	 0.334157
+C	-0.3058138665	-0.1694604158	 0.2349237417	-0.258033
+H	 1.8385391102	-0.2126839819	 0.6235487384	 0.102065
+H	 0.893789732	 0.5782929524	 1.8959995807	 0.110451
+H	 0.6988522915	 1.7450496419	-1.8720384009	 0.073676
+H	-1.0368275393	 3.232644267	 0.149237037	 0.111924
+H	-0.0457928403	 3.9551619915	-1.1340972097	 0.10029
+H	-2.4803626484	 3.8151035818	-1.8085845225	 0.113545
+H	-1.4582827258	 2.8310640625	-2.87374482	 0.086646
+H	-2.6927747383	-0.1831382124	-1.2620999008	 0.117755
+H	-1.7199719274	 0.3694736347	-2.644005217	 0.095904
+H	-0.7543377734	-1.0849181825	 0.6010345809	 0.103578
+19
+0 629	3.2516863	1.4901768	1.1129363	2.1372	77.94	-0.22352	0.01545	0.23897	1094.5817	0.159801	-422.565465	-422.55808	-422.557135	-422.597264	28.887
+C	 0.6103006766	 1.0003366895	 1.1273048144	-0.111061
+O	 0.95234613	 1.8683994112	 0.0430935303	-0.282205
+C	 0.368355654	 1.3858143495	-1.1591346929	 0.045474
+C	-0.4876161409	 2.453061175	-1.8640514706	-0.103493
+O	-1.2101757161	 1.8531616833	-2.9288981209	-0.244818
+C	-2.1374960775	 0.8782101401	-2.4846615938	-0.066966
+C	-1.4348542047	-0.3124454905	-1.7933770637	-0.32529
+C	-0.5201553489	 0.2404692272	-0.7509273432	 0.325442
+C	-0.3898542032	 0.0309501737	 0.5551118007	-0.258858
+H	 1.5138828271	 0.4990580284	 1.5122244904	 0.102845
+H	 0.197893429	 1.5990467555	 1.9527926545	 0.10785
+H	 1.1543220621	 1.058483812	-1.8605350966	 0.081919
+H	-1.1682305855	 2.9057151178	-1.1251937966	 0.091697
+H	 0.1268511498	 3.2421558657	-2.3049471039	 0.112017
+H	-2.8582729091	 1.3314869107	-1.7845986625	 0.093138
+H	-2.6817387424	 0.5464537199	-3.373137485	 0.109556
+H	-2.1742420226	-1.0009317056	-1.371722875	 0.105523
+H	-0.8605110184	-0.8591473046	-2.552787094	 0.117281
+H	-0.9132590795	-0.7047928389	 1.1532242282	 0.099949
+19
+0 630	3.1778531	1.5548371	1.1508093	2.7132	78.13	-0.24166	0.01448	0.25614000000000003	1079.7717	0.159796	-422.57201	-422.56467	-422.563726	-422.603706	28.843
+C	 0.9199494527	 0.3507777757	 0.7406825189	-0.114833
+O	 1.0957167808	 1.6565300732	 0.182281472	-0.267073
+C	 0.2269461042	 1.8391355916	-0.8919586374	 0.148682
+O	 0.9679572084	 1.9908732333	-2.1005857658	-0.251271
+C	 0.0886066593	 2.097312991	-3.2112234743	-0.068823
+C	-0.746282052	 0.8246053311	-3.4133537296	-0.198308
+C	-1.5509703616	 0.4836560956	-2.1353421346	-0.326726
+C	-0.6204259393	 0.5925489584	-0.9719460022	 0.312046
+C	-0.2047051569	-0.2630171511	-0.045357414	-0.249459
+H	 1.8515121953	-0.2275677931	 0.649065571	 0.114788
+H	 0.7002325751	 0.452801085	 1.8127602012	 0.111726
+H	-0.3562341831	 2.7666070287	-0.7384209079	 0.062999
+H	-0.5813618334	 2.9666369352	-3.0838793696	 0.085363
+H	 0.7199969982	 2.2916525897	-4.0823158981	 0.111627
+H	-1.4183011174	 0.9551551422	-4.2689448341	 0.096908
+H	-0.0688217076	-0.0048041356	-3.644099077	 0.11289
+H	-2.3704289188	 1.2088783913	-2.027445309	 0.10921
+H	-2.0055307907	-0.5091085774	-2.2035568727	 0.106994
+H	-0.5537838133	-1.2759989948	 0.1146602933	 0.103259
+19
+0 631	3.785128	1.2825385	1.2440021	0.9946	76.06	-0.23943	0.02886	0.26829000000000003	1088.3892	0.158055	-422.572135	-422.564278	-422.563333	-422.60551	29.779
+C	 0.6325583554	 1.3068235674	 1.1669252743	-0.096356
+C	 0.124862753	 0.0793706039	 0.4151823231	-0.109316
+O	 0.9034810255	 0.1191382822	-0.7698895671	-0.282678
+C	 2.1841700157	 0.6185697037	-0.4081646454	 0.484267
+C	 3.2192781748	-0.5274528288	-0.2219876879	-0.308528
+C	 4.0631254619	-0.4529988641	-1.466579487	-0.064412
+C	 3.8017320222	 0.6356162471	-2.1893501123	-0.063015
+C	 2.7263777289	 1.4884750968	-1.5703787585	-0.319936
+O	 2.0066252223	 1.3455312479	 0.8065726935	-0.305101
+H	 0.1145879568	 2.2186488528	 0.8366613238	 0.100331
+H	 0.5523196795	 1.224941671	 2.2546814184	 0.109692
+H	 0.3090656525	-0.8427077762	 0.9873621038	 0.097503
+H	-0.9307988189	 0.1241895836	 0.1383161497	 0.114475
+H	 3.8100421699	-0.3509109477	 0.6847574647	 0.117766
+H	 2.7071798495	-1.4882810596	-0.0973089015	 0.108089
+H	 4.8079126511	-1.2020261981	-1.7113283182	 0.091267
+H	 4.3016564662	 0.9094957911	-3.1116090062	 0.091613
+H	 3.1228645149	 2.4289783294	-1.1695617669	 0.118942
+H	 1.9138867687	 1.7404296576	-2.2594262803	 0.115397
+19
+0 632	3.7645327	1.2612268	1.2144702	1.0605	75.39	-0.24326	0.02149	0.26475	1093.433	0.158671	-422.568811	-422.561072	-422.560128	-422.601608	29.428
+C	-0.0302710479	 0.7887048773	-0.5967701503	 0.013402
+O	 0.1368964772	 0.6566466085	 0.791548635	-0.241482
+C	 1.5445709333	 0.6629400396	 0.9697549992	-0.156255
+C	 2.0149679723	 1.7208857411	-0.0457226156	 0.424154
+C	 3.4483589564	 1.4884168386	-0.5822516276	-0.333783
+C	 4.2726623773	 2.5014896479	 0.1728314307	-0.063439
+C	 3.5110960598	 3.3996776461	 0.7973808683	-0.063738
+C	 2.0433381793	 3.1502572868	 0.5643587383	-0.315534
+O	 1.0253031973	 1.6029700678	-1.0764153143	-0.311006
+H	 0.0126569095	-0.1960860284	-1.0958594963	 0.0854
+H	-0.9983966759	 1.2636840399	-0.7895800351	 0.114114
+H	 1.7659850742	 0.914969998	 2.0080643916	 0.123424
+H	 1.9746354472	-0.323937291	 0.7341645119	 0.090494
+H	 3.7831963467	 0.4543037733	-0.436656091	 0.098799
+H	 3.470984947	 1.6741565811	-1.6638854276	 0.123728
+H	 5.3567952762	 2.4957891256	 0.161526374	 0.093773
+H	 3.8799412338	 4.2385106813	 1.3771404288	 0.093093
+H	 1.4263034223	 3.2241393358	 1.4673329293	 0.106632
+H	 1.625491904	 3.8613766305	-0.1599052893	 0.118225
+19
+0 633	3.7911372	1.2395447	1.2020355	2.3613	77.12	-0.23291	0.01146	0.24437	1107.2612	0.158246	-422.56304	-422.555123	-422.554178	-422.596495	29.735
+C	-0.5684505331	 1.0063760048	-0.8938997172	-0.082382
+C	-0.0767690032	-0.0417635827	 0.1029398146	-0.252372
+C	 1.3470653664	 0.4703471471	 0.4226170737	 0.352748
+C	 1.7263252678	 1.203581218	-0.8988086603	-0.107938
+O	 0.5644941587	 1.2655108371	-1.7152643292	-0.255426
+O	 1.2952191068	 1.4232248961	 1.5007746644	-0.315725
+C	 2.1003513325	 0.9924934511	 2.5935192077	-0.133814
+C	 2.7547626844	-0.274574715	 2.121210008	-0.102811
+C	 2.3257332844	-0.5651578059	 0.8992932113	-0.155324
+H	-1.3806469064	 0.6672379668	-1.5422146141	 0.105303
+H	-0.8932942154	 1.9174824997	-0.3675717359	 0.10101
+H	-0.676787124	-0.1220680131	 1.010932675	 0.108791
+H	-0.0247747021	-1.0223288676	-0.3820036829	 0.101429
+H	 2.0879153889	 2.2064015182	-0.6373006128	 0.106468
+H	 2.5085263475	 0.6803257678	-1.4598206659	 0.098391
+H	 2.8285135827	 1.777104427	 2.8497349752	 0.108887
+H	 1.4755716403	 0.8291129666	 3.4865051781	 0.105443
+H	 3.4566987264	-0.8413360554	 2.7193383882	 0.109448
+H	 2.6048263874	-1.4174906604	 0.2927353322	 0.107872
+19
+0 634	3.8200471	1.22489	1.1953704	1.4511	76.83	-0.24229	0.01704	0.25933	1116.387	0.15858	-422.569486	-422.561611	-422.560667	-422.602692	29.57
+C	 0.0324795937	 0.8751435505	-0.7102377291	 0.015811
+O	 0.0695492439	 0.533374222	 0.6521066402	-0.238072
+C	 1.4517263634	 0.534019993	 0.9627174807	-0.175703
+C	 2.0246229352	 1.705212082	 0.1350889086	 0.380384
+C	 3.4557026601	 1.4854988771	-0.4132183349	-0.280191
+C	 4.1737182886	 2.8531812408	-0.3145081792	-0.261977
+C	 3.2807462622	 3.6454794114	 0.6088861962	-0.075818
+C	 2.1303383132	 3.0257337576	 0.8596935736	-0.101407
+O	 1.04789793	 1.8299389317	-0.9282264525	-0.305244
+H	 0.2071897189	-0.0175564311	-1.3400940784	 0.079093
+H	-0.9458860485	 1.3088902736	-0.9407468037	 0.115964
+H	 1.5691773414	 0.6676397787	 2.0399611481	 0.12106
+H	 1.9235588538	-0.4162518607	 0.6637357725	 0.091343
+H	 3.9735655677	 0.7485499329	 0.2102551196	 0.102922
+H	 3.4141320668	 1.0872399031	-1.4290398661	 0.112815
+H	 5.1956056767	 2.7578165612	 0.0698446186	 0.105389
+H	 4.2587091297	 3.3493325159	-1.2900257253	 0.116982
+H	 3.5603452717	 4.6219737714	 0.990033154	 0.096973
+H	 1.3114472915	 3.4052103088	 1.4602384672	 0.099673
+19
+0 635	3.8079547	1.2718809	1.2453365	1.1978	77.05	-0.24525	0.01383	0.25908	1096.977	0.158481	-422.576126	-422.568357	-422.567413	-422.609054	29.682
+C	 0.9938255133	 1.9461663231	-1.0841687607	-0.210835
+C	 1.8667857108	 1.1601152398	-0.1010155144	-0.08705
+O	 1.2768971521	-0.1354487523	-0.0646210582	-0.277308
+C	-0.1365874653	 0.0068037679	-0.1020945715	 0.483015
+C	-0.4038587266	 1.3747045839	-0.7863264449	-0.309439
+O	-0.6878675714	 0.0335647245	 1.2137511307	-0.297346
+C	-1.2966593799	-1.2145496483	 1.5201953018	-0.136621
+C	-1.3561302426	-1.9466027176	 0.2090219891	-0.103009
+C	-0.7205955402	-1.2400707349	-0.7159222974	-0.141814
+H	 1.0563466789	 3.0278426912	-0.9411618316	 0.101957
+H	 1.2968415733	 1.721288635	-2.1114445328	 0.105034
+H	 2.9067477926	 1.0459248685	-0.4169940136	 0.104189
+H	 1.851796053	 1.6188476128	 0.8989599931	 0.099412
+H	-1.0159988144	 1.2571237476	-1.6831487165	 0.107896
+H	-0.9586380544	 1.997786017	-0.0817983204	 0.123483
+H	-0.7102223737	-1.7684381684	 2.270104354	 0.111883
+H	-2.2887400585	-1.0254773543	 1.9525168359	 0.110251
+H	-1.8363386035	-2.9089134875	 0.0859110416	 0.108942
+H	-0.5573506235	-1.497018598	-1.7538355942	 0.107359
+19
+0 636	3.8115365	1.2605291	1.22662	0.5446	77.39	-0.24399	0.01854	0.26253000000000004	1101.9783	0.158308	-422.572404	-422.564509	-422.563565	-422.605802	29.766
+C	 0.6712503072	 1.3699986838	 1.1136617791	-0.103505
+C	 0.0032669601	 0.2056924636	 0.3896761726	-0.097565
+O	 0.8289848727	 0.0456072492	-0.7532029461	-0.301837
+C	 2.1476316012	 0.5012038038	-0.4264904946	 0.466728
+C	 3.1964268121	-0.6355775299	-0.3713537226	-0.28063
+C	 4.0424892514	-0.5024356316	-1.6590913211	-0.263395
+C	 3.6641611076	 0.8599608559	-2.1891980343	-0.06603
+C	 2.6489561088	 1.4055058841	-1.5260808268	-0.111647
+O	 2.044578623	 1.1391237135	 0.8446348893	-0.298016
+H	 0.3387189188	 2.3363429921	 0.7057063544	 0.097408
+H	 0.5237621756	 1.3698085039	 2.1966818271	 0.111588
+H	 0.0038122712	-0.7010583544	 1.013023852	 0.096966
+H	-1.0183641003	 0.4114068214	 0.0589710341	 0.110376
+H	 3.8138146631	-0.4783788783	 0.5159742008	 0.119544
+H	 2.7010630953	-1.603755797	-0.2759492335	 0.107957
+H	 5.1177997346	-0.5861121666	-1.4642145652	 0.107016
+H	 3.8030142243	-1.2827206211	-2.3927478789	 0.114731
+H	 4.1716199696	 1.3115148456	-3.0352420243	 0.097338
+H	 2.1778817738	 2.3596128622	-1.729162382	 0.092973
+19
+0 637	2.2174817	1.7949028	1.1397378	2.2593	79.16	-0.23974	-0.02382	0.21592	1090.9001	0.158647	-422.534709	-422.526633	-422.525689	-422.567153	30.942
+C	 0.0020858286	 1.4315996486	-0.0540041763	 0.027755
+O	 1.2917241993	 1.9771965565	-0.0496285363	-0.239053
+C	 2.127502037	 1.5439551897	 1.0210966922	-0.115444
+C	 1.5724233076	 1.8040390136	 2.397686691	-0.086178
+C	 1.2138576234	 0.8519647264	 3.2674476063	-0.084627
+C	 1.2162789913	-0.5974815323	 3.0048946685	-0.091188
+C	 0.4981497743	-1.229007213	 2.0694299259	-0.054106
+C	-0.5340811716	-0.5839828026	 1.1716112798	-0.129452
+O	-0.0081184324	 0.0262156107	-0.0117561692	-0.24408
+H	-0.5985033291	 1.8278901291	 0.7807306197	 0.077766
+H	-0.4300967892	 1.7563123116	-1.0066185029	 0.106636
+H	 2.3569361999	 0.4803150097	 0.9058677817	 0.115414
+H	 3.0542385574	 2.1127132044	 0.8894063779	 0.111093
+H	 1.5163677564	 2.8461465853	 2.7059781434	 0.095789
+H	 0.9384870926	 1.1505937862	 4.2794798096	 0.100199
+H	 1.8482118453	-1.1961392192	 3.6615920924	 0.100845
+H	 0.6144430973	-2.3055731478	 1.9709512683	 0.096067
+H	-1.2410666787	-1.350822669	 0.8364746134	 0.105687
+H	-1.1011255795	 0.1612239222	 1.7437434848	 0.106874
+19
+0 638	2.3357381	1.7216131	1.0810977	0.7407	78.67	-0.23958	0.03719	0.27676999999999996	1125.4267	0.158318	-422.514548	-422.506125	-422.505181	-422.547313	31.7
+C	 1.0255175336	 0.9154390307	-0.0222865411	-0.06249
+C	 2.5400817072	 0.8958464061	 0.2982121119	-0.341971
+C	 3.1969957731	 1.7192938299	-0.7065591807	 0.068983
+C	 3.3441259811	 2.5154609862	-1.5973276405	 0.068916
+C	 3.0208483538	 3.4963092222	-2.6232900101	-0.341963
+C	 1.5642670402	 3.9541221605	-2.3668120891	-0.062489
+O	 0.6882181707	 2.8331888225	-2.3610257883	-0.231577
+C	-0.1192251331	 2.6620205171	-1.2249735429	 0.011298
+O	 0.5455676316	 2.2542490674	-0.0572159502	-0.231577
+H	 0.8607409261	 0.42083524	-0.9859214169	 0.113719
+H	 0.4763716621	 0.3662711115	 0.7548579438	 0.097392
+H	 2.7062926898	 1.2950465513	 1.3059644939	 0.132095
+H	 2.8904123081	-0.1435080934	 0.3045547349	 0.11984
+H	 3.6789442277	 4.3736379421	-2.6080200344	 0.119838
+H	 3.095827371	 3.0582478012	-3.6258032211	 0.132097
+H	 1.5223495107	 4.4819953239	-1.4076613187	 0.113718
+H	 1.2478228473	 4.6423204391	-3.1626426873	 0.097392
+H	-0.6120203049	 3.6029132626	-0.9459282787	 0.09839
+H	-0.8697370962	 1.9209377892	-1.5307873744	 0.098389
+19
+0 639	2.5725925	1.5556776	1.062945	2.026	78.66	-0.23888	0.02236	0.26124	1141.9191	0.158014	-422.495876	-422.487431	-422.486487	-422.528668	31.789
+C	-0.8116261892	 0.8640361295	 0.7577597513	-0.085937
+C	 0.2164451913	 0.3001405206	-0.2300117837	-0.064323
+O	 1.1595547053	-0.6579910082	 0.2191145452	-0.223995
+C	 1.9324450144	-0.3230088652	 1.3643877592	-0.217336
+C	 1.1187969812	-0.5029467222	 2.5694764095	 0.053929
+C	 0.1351336907	-0.6558365229	 3.2479202975	 0.073952
+C	-1.2625924508	-0.7524954574	 3.6408011102	-0.347701
+C	-2.1044587657	 0.0644090273	 2.6123294436	-0.066768
+O	-1.6786181175	-0.1317580372	 1.2786860588	-0.234336
+H	-0.3061497829	 1.4045605251	 1.5643201269	 0.105124
+H	-1.3995207661	 1.6053543018	 0.1885357673	 0.087488
+H	-0.3120983514	-0.2023333058	-1.0460515955	 0.121659
+H	 0.7373923993	 1.1760161514	-0.6562600606	 0.084614
+H	 2.7977089982	-0.993532991	 1.3462707857	 0.135493
+H	 2.3178881154	 0.7076791898	 1.2989993874	 0.110309
+H	-1.5785335466	-1.8023802745	 3.6237850217	 0.137582
+H	-1.4621344411	-0.3756352249	 4.6508476596	 0.121411
+H	-3.1496116689	-0.2585504487	 2.6747470311	 0.108799
+H	-2.0673193156	 1.1289478427	 2.8792038947	 0.100034
+19
+0 640	2.6136676	1.4460332	0.9968686	1.5146	77.81	-0.2528	0.0118	0.2646	1183.0425	0.157901	-422.492981	-422.484335	-422.48339	-422.526493	31.97
+C	 0.0982756937	 4.2389360341	-1.361958229	-0.198176
+C	 0.3346888684	 4.4877437688	-2.8773051848	-0.074262
+O	 1.1180277055	 5.6457911458	-3.1703219266	-0.236584
+C	 2.5026623355	 5.416273123	-3.3765176001	-0.207891
+C	 3.0716988099	 4.655027906	-2.2657174446	 0.048097
+C	 3.2201925049	 3.9528561706	-1.2988239372	 0.047629
+C	 2.997482007	 3.0741065244	-0.151940986	-0.207845
+O	 1.6469486375	 3.1414122008	 0.2770187516	-0.236613
+C	 0.6632107958	 2.9331325626	-0.737610498	-0.074261
+H	 0.5062262655	 5.0875428713	-0.8080300096	 0.132923
+H	-0.9827966738	 4.2529951413	-1.1857777645	 0.096197
+H	 0.7711090405	 3.5993615309	-3.355812589	 0.09469
+H	-0.6254056374	 4.6793056441	-3.366596111	 0.107628
+H	 2.6719049053	 4.8781345928	-4.3241013779	 0.11606
+H	 2.9592668642	 6.4061584158	-3.4771769771	 0.137011
+H	 3.2719728518	 2.0389633734	-0.4151678727	 0.116064
+H	 3.6021791573	 3.3620517719	 0.7140360923	 0.137008
+H	 1.0536915703	 2.2640677907	-1.5176837143	 0.094701
+H	-0.1433923819	 2.3977766517	-0.2270507917	 0.107625
+19
+0 641	2.6182828	1.5110435	1.0250208	2.2004	78.43	-0.23911	0.02613	0.26524	1165.7257	0.158057	-422.507973	-422.499439	-422.498495	-422.541103	31.797
+C	 2.8881328332	-2.5651192099	 2.2862810061	-0.182965
+C	 2.1909148361	-1.3927061508	 1.5760268541	-0.066496
+O	 2.3430989595	-1.4978576299	 0.1666979356	-0.233855
+C	 1.2193261029	-1.3186739486	-0.6609890412	 0.0304
+O	 1.0868287974	-2.3519866348	-1.6004068494	-0.225647
+C	 0.3453446181	-3.5021339959	-1.1858815345	-0.209525
+C	 0.7929765488	-4.001437594	 0.1097216474	 0.043101
+C	 1.3061504671	-4.0887209589	 1.1949843571	 0.08506
+C	 2.0161829715	-3.8417290425	 2.4414516502	-0.351462
+H	 3.789966166	-2.8021122674	 1.7138708051	 0.128208
+H	 3.2096496982	-2.2434615803	 3.2832273981	 0.097967
+H	 1.1267110138	-1.3531176029	 1.8501792033	 0.095569
+H	 2.6474075221	-0.4490976707	 1.9065961115	 0.096937
+H	 0.3075117029	-1.2117993884	-0.0509837307	 0.07989
+H	 1.3660843687	-0.4153401354	-1.2656901603	 0.105112
+H	-0.7287572757	-3.2597363375	-1.1466466735	 0.117051
+H	 0.4827396758	-4.23723402	-1.9849776864	 0.137344
+H	 1.2968538048	-3.6987176381	 3.258536126	 0.125786
+H	 2.6466888687	-4.6898354938	 2.7322446415	 0.127524
+19
+0 642	4.2144154	0.9598926	0.8941725	3.7759	76.98	-0.23466	-0.01597	0.21869	1361.2497	0.156528	-422.532745	-422.523818	-422.522874	-422.568169	31.506
+O	 0.9742842687	-1.1780997775	-1.1277470913	-0.324568
+C	 1.2322884183	-0.1151258478	-0.6081697566	 0.353535
+C	 1.1327292527	 0.1059834111	 0.8640911509	-0.111932
+C	-0.0009476573	-0.6058977311	 1.5927859151	-0.245777
+C	 1.3970129625	-1.0869483012	 1.7699913988	-0.250556
+C	 1.7146298348	 1.0871087673	-1.4123265513	 0.036077
+C	 3.2617867893	 1.251126604	-1.4485699848	-0.292121
+C	 3.0901543398	 0.9657558505	-2.9553059451	-0.05953
+O	 1.6544850861	 0.9012495743	-2.827796348	-0.265258
+H	 1.4173352846	 1.08752221	 1.2283808047	 0.086679
+H	-0.4806880282	-0.0689566266	 2.4028176107	 0.11936
+H	-0.6578094884	-1.197440317	 0.9655305253	 0.141747
+H	 1.9049747936	-0.8932918938	 2.7076730123	 0.117976
+H	 1.6763092021	-2.0026791059	 1.2615264447	 0.139839
+H	 1.1625469003	 1.9820086425	-1.09110956	 0.091926
+H	 3.6209128158	 2.2501831127	-1.2000212064	 0.118052
+H	 3.8280115651	 0.5095953807	-0.8829844149	 0.122337
+H	 3.4039403365	 1.7680222733	-3.6328149474	 0.106375
+H	 3.509330274	 0.0148370146	-3.3035069464	 0.115838
+19
+0 643	4.1349447	0.9452585	0.8682278	3.3971	76.78	-0.24875	-0.0205	0.22825	1375.8301	0.15667	-422.533168	-422.524255	-422.523311	-422.568629	31.398
+O	-0.0715846082	 2.2115429528	-2.4685978603	-0.333947
+C	-0.575838216	 1.318703677	-1.8177462999	 0.375469
+C	-1.6780950856	 0.4740722446	-2.3602260783	-0.105548
+C	-2.6757938951	 1.1471728242	-3.2956414273	-0.248401
+C	-1.6773331001	 0.1983146615	-3.8582501694	-0.249226
+C	-0.112397263	 0.9811327513	-0.4132734266	-0.160714
+C	 1.1322406469	 1.7188615058	 0.1059493101	-0.089322
+O	 1.8928886644	 0.4895833292	 0.1696883184	-0.268326
+C	 0.7794398784	-0.2895659201	-0.2911789996	-0.074183
+H	-2.0559019287	-0.305557533	-1.7077983288	 0.08844
+H	-3.7111475062	 0.8370555084	-3.2154442357	 0.120437
+H	-2.5122894364	 2.2048672454	-3.4666899537	 0.140747
+H	-2.0055616271	-0.7838052104	-4.178199021	 0.120429
+H	-0.8429904951	 0.6190056055	-4.4073913041	 0.141788
+H	-0.9736958604	 0.9729071774	 0.2603289148	 0.099904
+H	 1.5548572016	 2.4337552348	-0.6063706577	 0.129588
+H	 1.0308478608	 2.1868325808	 1.0918160016	 0.099143
+H	 0.9952476027	-0.8085912866	-1.2338991465	 0.109485
+H	 0.4472823272	-1.0243710485	 0.452717664	 0.104234
+19
+0 644	3.0563393	1.1145037	0.9568838	1.9032	76.63	-0.24576	-0.02815	0.21761	1289.0617	0.156362	-422.532529	-422.523702	-422.522758	-422.567421	31.637
+O	-1.3102386334	-0.1501919373	-2.1811768927	-0.321051
+C	-0.5471202134	-0.745046638	-1.4504279266	 0.341095
+C	-0.298015861	-2.2113199493	-1.6920302123	-0.008735
+C	-0.4617281749	-3.1985119425	-0.6050511363	-0.177811
+O	 0.8295004752	-2.8171797574	-1.0538176869	-0.217577
+C	 0.2198609376	-0.0752284542	-0.3377858293	-0.069661
+C	-0.2547671609	 1.3235479239	 0.1287198953	-0.239023
+C	 1.2202840522	 1.8044884273	 0.1130602127	-0.20862
+C	 1.5795798456	 0.5828060383	-0.7736518397	-0.220901
+H	-0.4955426955	-2.5332409361	-2.7131028192	 0.118531
+H	-0.7338647269	-2.8634960085	 0.3946059403	 0.125522
+H	-0.7755961971	-4.2082219424	-0.8637778789	 0.132404
+H	 0.3984698244	-0.765905764	 0.4891294038	 0.085176
+H	-0.8548250559	 1.792535498	-0.6543476299	 0.127475
+H	-0.7981299933	 1.3743041545	 1.0748230123	 0.097242
+H	 1.4228203683	 2.7961884102	-0.2972536844	 0.102504
+H	 1.6846359855	 1.7362871622	 1.1008723166	 0.103596
+H	 1.5717975376	 0.8345947487	-1.8376282508	 0.115984
+H	 2.4879945758	 0.0230486868	-0.5462698339	 0.11385
+19
+0 645	3.198044	0.9753364	0.8424298	2.2529	76.27	-0.24326	-0.03171	0.21155000000000002	1407.4611	0.155548	-422.527204	-422.51802	-422.517076	-422.562803	32.694
+O	-0.734019265	-0.5082522051	 3.392031946	-0.310856
+C	 0.1999326378	-0.0756564439	 2.7544589441	 0.373379
+C	 0.8654123803	-0.8726475009	 1.6375614601	-0.341951
+C	-0.034412701	-0.993102203	 0.4164861877	 0.030522
+C	 0.0038327608	-2.241480358	-0.4301118014	-0.277577
+C	-1.2009547922	-1.9450990207	 0.4287203511	-0.24397
+C	 0.7158684893	 1.3059990376	 3.0633710929	-0.016116
+C	 1.0674767973	 2.2576345316	 1.9881283206	-0.178879
+O	 2.0778254685	 1.6092980388	 2.7420565884	-0.213693
+H	 1.8296875396	-0.4288955746	 1.3747423266	 0.125789
+H	 1.0564945948	-1.8722136575	 2.0427193462	 0.123951
+H	-0.1876037402	-0.061609761	-0.122746311	 0.081947
+H	-0.0879580816	-2.1352370398	-1.5053643614	 0.112714
+H	 0.6678464948	-3.0415549845	-0.1197092279	 0.113645
+H	-2.1190443741	-1.6391138543	-0.0600426512	 0.112407
+H	-1.3520369427	-2.5344311877	 1.3255758202	 0.129996
+H	 0.3571204745	 1.7018727009	 4.0116547462	 0.116832
+H	 0.9886141338	 1.9528913037	 0.9460866782	 0.128546
+H	 0.9418923153	 3.3224085984	 2.1766955644	 0.133314
+19
+0 646	3.18468	1.0002803	0.842584	2.1229	77.38	-0.24227	-0.01578	0.22649000000000002	1400.033	0.155882	-422.535502	-422.526393	-422.525449	-422.570772	32.49
+O	-1.9622838211	-1.471356993	-0.8295038526	-0.336169
+C	-1.348984623	-0.4238950246	-0.8561165494	 0.367239
+C	-0.8797020939	 0.2495842817	 0.4345037242	-0.328745
+C	 0.629708735	 0.3302528413	 0.5373421505	 0.088237
+C	 1.3033621932	 1.4475675654	 1.2105199897	-0.17873
+O	 1.2792771288	 1.3593547067	-0.2158096027	-0.226483
+C	-1.0196022795	 0.2724637613	-2.1307308186	-0.097545
+C	-0.7978146899	-0.5986830989	-3.3605879656	-0.249146
+C	-2.0541083193	 0.1898575281	-3.2484748854	-0.252974
+H	-1.2873418033	 1.2669438857	 0.4759739172	 0.118643
+H	-1.2795602992	-0.327132966	 1.2735943045	 0.124697
+H	 1.1478854729	-0.6291066259	 0.5058303386	 0.107668
+H	 0.705207558	 2.2503799518	 1.6397793018	 0.117358
+H	 2.2783888041	 1.2966237837	 1.6708338966	 0.120413
+H	-0.4354830618	 1.1798203129	-2.0455213362	 0.113696
+H	-0.0325605142	-0.2756950457	-4.0566576143	 0.120298
+H	-0.8632499417	-1.6673558276	-3.192273193	 0.136645
+H	-2.1812431939	 1.0719243054	-3.8653684796	 0.118594
+H	-2.9622030314	-0.3496235123	-3.0048688556	 0.136306
+19
+0 647	3.2004874	1.0293711	0.8831591	2.1232	77.15	-0.26046	0.01489	0.27535000000000004	1376.6494	0.156138	-422.554613	-422.545598	-422.544654	-422.589916	32.559
+O	 1.6043024738	 2.0622863078	 1.3038834549	-0.374891
+C	 0.5900363215	 1.5478840648	 1.7039723101	 0.444285
+O	-0.0932529516	 0.5956329973	 1.0139960937	-0.259702
+C	 0.467006598	 0.2014546985	-0.2245156006	 0.156519
+C	-0.2418245051	-0.9146264734	-0.9165856738	-0.30102
+C	 1.1255512885	-1.1425040485	-0.2982425652	-0.280175
+C	-0.0722565742	 1.8788076617	 2.990484098	-0.108758
+C	-0.7879712206	 0.8063024357	 3.7952963574	-0.257987
+C	-1.5873803767	 1.8664607915	 3.1117200024	-0.258179
+H	 0.8807771524	 1.0290706046	-0.7861877404	 0.123814
+H	-1.0939111455	-1.3465100828	-0.4041417294	 0.125231
+H	-0.3338504155	-0.8729332151	-1.995860535	 0.121375
+H	 1.1618082469	-1.7223572075	 0.6168789805	 0.123247
+H	 1.9879295612	-1.2556734566	-0.945231987	 0.123628
+H	 0.4696415755	 2.6397706199	 3.5373288964	 0.112193
+H	-0.8046650134	-0.191037332	 3.3739861207	 0.130995
+H	-0.6736945522	 0.8493059055	 4.8723099825	 0.122387
+H	-2.1451848581	 1.5885058509	 2.2263006718	 0.134757
+H	-2.0334342249	 2.6525937378	 3.7099597428	 0.122281
+19
+0 648	2.2697422	1.7492374	1.5455697	3.4288	74.75	-0.23534	-0.0144	0.22094	983.3556	0.159225	-422.564244	-422.556768	-422.555824	-422.595877	29.587
+O	 1.19192482	 0.0977735531	 0.0700942349	-0.313338
+C	 0.001909576	 0.0471821587	-0.025375537	 0.43389
+C	-1.0250408893	-1.104430783	-0.0307471175	-0.123658
+C	-2.0567173206	-0.0546706545	 0.4920878525	-0.263296
+C	-1.1300818627	 1.098252389	-0.0103405143	-0.148984
+C	-1.4155259439	 1.5781867481	-1.4439056567	-0.094483
+O	-1.1063462033	 0.6257807782	-2.448873733	-0.242699
+C	-1.8696721441	-0.5698388824	-2.4167340056	-0.075737
+C	-1.3095704298	-1.626214624	-1.4522730798	-0.225097
+H	-0.776503538	-1.9368419712	 0.6329681619	 0.092301
+H	-3.0627135015	-0.0942828721	 0.0700185976	 0.103
+H	-2.1320902012	-0.065178303	 1.5814582667	 0.111902
+H	-0.9986667078	 1.9588405774	 0.6508239025	 0.091897
+H	-2.467755514	 1.8964298081	-1.5286668409	 0.09573
+H	-0.7794808178	 2.4392762609	-1.6668877472	 0.125533
+H	-2.9195533722	-0.3408461807	-2.1781496007	 0.09234
+H	-1.8518091002	-0.9698637034	-3.4357961744	 0.112012
+H	-2.0288396766	-2.4530080913	-1.4001162167	 0.104356
+H	-0.3795928531	-2.0352538278	-1.8630913523	 0.124331
+19
+0 649	2.2329088	1.7592952	1.5279701	3.2095	74.6	-0.22438	-0.02745	0.19693	988.7555	0.158874	-422.559146	-422.551537	-422.550593	-422.590944	29.948
+O	 1.1945838878	-0.0634345035	 0.1205187679	-0.305261
+C	-0.0005276768	-0.0353253897	 0.1291916431	 0.389567
+C	-1.1102192993	-1.0991489667	 0.0147263549	-0.130404
+C	-2.0305432297	 0.0495216651	-0.5068455821	-0.28261
+C	-1.0641815245	 1.1129618266	 0.1009523965	 0.020252
+O	-1.3975716027	 1.6429647022	 1.366374814	-0.258868
+C	-2.0604637028	 0.7872592916	 2.2902305852	-0.067796
+C	-1.3768366018	-0.5618580081	 2.5460679156	-0.230067
+C	-1.5091958918	-1.6060200095	 1.4178406391	-0.212768
+H	-0.9191789458	-1.9356649674	-0.6614229337	 0.089658
+H	-2.0308716597	 0.1119511666	-1.5976215536	 0.113951
+H	-3.0625147421	 0.054754621	-0.1542966263	 0.111458
+H	-0.8063069131	 1.970886015	-0.5248340979	 0.102825
+H	-2.083084324	 1.3664260088	 3.2177684085	 0.115292
+H	-3.105970098	 0.6259986953	 1.9843745374	 0.091996
+H	-0.317979122	-0.3757018578	 2.7636690102	 0.129035
+H	-1.8104512324	-0.9845254333	 3.4599654822	 0.102519
+H	-0.8809796744	-2.4667271316	 1.6699180688	 0.1161
+H	-2.5431317767	-1.9711221346	 1.3727996104	 0.105121
+19
+0 650	2.2320499	1.762192	1.5247116	1.7662	74.29	-0.24877	-0.02628	0.22249	991.3773	0.158905	-422.572806	-422.565244	-422.5643	-422.604565	29.772
+O	 1.2836292961	 0.0978490865	-0.2016162442	-0.295157
+C	 0.0932431699	 0.0578722234	-0.1302840916	 0.373216
+C	-0.9771461087	-1.0409647169	-0.0630415217	-0.010365
+C	-1.3401198825	-1.6506855309	-1.4245980748	-0.230434
+C	-2.0388404778	-0.653059246	-2.3692406773	-0.183239
+C	-1.3283743627	 0.7037321864	-2.549289726	-0.219716
+C	-1.4571849259	 1.6754878931	-1.3573528429	-0.204368
+C	-1.0548323214	 1.070253392	-0.0116738426	-0.015742
+O	-1.927999203	-0.0312012366	 0.3658830937	-0.298815
+H	-0.815573948	-1.807538327	 0.703077766	 0.103916
+H	-0.4150923027	-2.0323950014	-1.8766038434	 0.116539
+H	-1.9946786629	-2.5156232886	-1.2719899998	 0.110442
+H	-2.1382295801	-1.1339051421	-3.3485897092	 0.096619
+H	-3.0553346553	-0.4762211486	-2.0021954568	 0.113433
+H	-0.2660515055	 0.5348600939	-2.7707500884	 0.114092
+H	-1.742252705	 1.2015240387	-3.4329871337	 0.1006
+H	-0.8415554198	 2.5646096448	-1.5382867234	 0.110706
+H	-2.4955114319	 2.01629405	-1.2632447137	 0.115909
+H	-0.9824756728	 1.8232565394	 0.7803072696	 0.102365
+19
+0 651	2.1940313	1.8058358	1.7265701	1.9483	73.94	-0.23424	-0.01322	0.22102	947.4021	0.160337	-422.59246	-422.585176	-422.584231	-422.624017	28.776
+O	 1.2197864979	 0.0033164772	 0.098687342	-0.336744
+C	 0.0186638726	-0.0017527969	 0.0218768035	 0.405546
+C	-0.9292550623	-1.1959097372	-0.0031413378	-0.125137
+C	-1.9445740664	-0.7944392818	-1.0943514501	-0.217751
+C	-1.951163087	 0.7737691672	-1.0947997498	-0.217751
+C	-0.9392575173	 1.184381112	-0.0038206356	-0.125137
+C	-1.6122744331	 1.1749710192	 1.3966353962	-0.100308
+O	-2.3607347592	-0.0113017574	 1.5975426217	-0.238959
+C	-1.6023303112	-1.1913565858	 1.3973110774	-0.100308
+H	-0.4154940928	-2.1443441656	-0.1692460772	 0.087337
+H	-1.6270974266	-1.1814869347	-2.0661577696	 0.107348
+H	-2.9378982249	-1.1995635788	-0.8866922105	 0.11077
+H	-1.6369458694	 1.1629151157	-2.0668274332	 0.107348
+H	-2.9478573203	 1.1706510534	-0.8873717337	 0.110769
+H	-0.4334849674	 2.1370047799	-0.1704677502	 0.087337
+H	-0.8444321615	 1.2932992079	 2.1780667955	 0.105558
+H	-2.3240380349	 2.0014531078	 1.4835169488	 0.117262
+H	-0.8335222947	-1.3027808789	 2.1788078376	 0.105558
+H	-2.3071226115	-2.0237419131	 1.4846663651	 0.117262
+19
+0 652	2.1723609	1.7892438	1.7432388	3.318	73.72	-0.22305	-0.0174	0.20565	951.5921	0.160228	-422.587794	-422.580514	-422.57957	-422.619238	29.003
+O	 1.2279320856	-0.0596777214	-0.0920622492	-0.329348
+C	 0.0267062388	-0.0493142097	-0.0597959895	 0.416704
+C	-0.943562754	-1.2256626574	 0.0168987041	-0.110868
+C	-1.9180497797	-0.7543010769	 1.1254833597	-0.236035
+C	-1.8895482533	 0.8134253226	 1.0691951715	-0.257215
+C	-0.9177442891	 1.1632165972	-0.0709233765	 0.023298
+O	-1.5324955698	 1.1905080465	-1.3674308289	-0.273566
+C	-2.3432061384	 0.0573325789	-1.6583118906	-0.071069
+C	-1.631446146	-1.2718627193	-1.3731366288	-0.235763
+H	-0.4395294918	-2.1678517606	 0.2367502111	 0.086442
+H	-2.9256314246	-1.1517598471	 0.9736912666	 0.106284
+H	-1.5762316736	-1.1104852138	 2.1005607953	 0.113015
+H	-2.8751616001	 1.2528535912	 0.8971549398	 0.118545
+H	-1.5083975989	 1.2287449193	 2.0062527577	 0.115464
+H	-0.4044735765	 2.1181978555	 0.0391523602	 0.096359
+H	-3.2849392246	 0.1065117585	-1.0913406919	 0.095314
+H	-2.5998011824	 0.1451640181	-2.7175647591	 0.116857
+H	-2.3575751192	-2.0928480172	-1.4108233047	 0.104153
+H	-0.8744391722	-1.4644216245	-2.1412008067	 0.121429
+19
+0 653	2.1525818	1.8109966	1.7501347	2.4466	73.76	-0.23242	-0.01949	0.21292999999999998	949.3793	0.159892	-422.593271	-422.585916	-422.584972	-422.624839	29.071
+O	 1.1816233471	 0.0037960787	-0.1293123078	-0.329442
+C	-0.0160873197	-0.0066094661	-0.0331394487	 0.412581
+C	-0.9726603897	-1.1921431134	 0.0251177311	-0.141825
+C	-1.9885947833	-0.6658680532	 1.0440223183	-0.088927
+O	-2.0127746574	 0.7707954656	 0.8854404217	-0.284436
+C	-0.9849975462	 1.1713797092	-0.0213965059	 0.007623
+C	-1.5398498588	 1.2830354035	-1.4606622678	-0.226023
+C	-2.3202891007	 0.0001531823	-1.8086040861	-0.196555
+C	-1.5718387211	-1.2891701761	-1.408946552	-0.226435
+H	-0.4837589133	-2.1201495216	 0.3231958251	 0.092916
+H	-3.0020167433	-1.0512413562	 0.8837180616	 0.106765
+H	-1.6856017754	-0.9101052484	 2.07055963	 0.108896
+H	-0.5322466502	 2.1007186824	 0.330430829	 0.097211
+H	-2.1913597647	 2.1591149841	-1.5414937361	 0.109679
+H	-0.6980647961	 1.4380037606	-2.1473985498	 0.11414
+H	-3.2803234323	 0.0342892532	-1.2838937475	 0.119307
+H	-2.5521982748	-0.0232774154	-2.8780574146	 0.10144
+H	-2.2504337775	-2.1478391463	-1.4622094385	 0.106198
+H	-0.7523491126	-1.4882114828	-2.109701952	 0.116887
+19
+0 654	5.3193198	0.8410751	0.7593898	3.3789	76.62	-0.24293	-0.01982	0.22311	1469.9469	0.155937	-422.541049	-422.532329	-422.531385	-422.576043	31.367
+O	 1.2669649968	 0.1256808259	 0.5503933508	-0.286256
+C	 0.1171109454	 0.0697610526	 0.2273630483	 0.404459
+C	-0.853844543	-1.0932222943	-0.0462781715	-0.37455
+C	-2.0204375077	-0.0529397889	-0.0178920886	 0.010395
+C	-0.9860185693	 1.1179733545	 0.0172668525	-0.359087
+C	-2.9700699683	-0.0761309039	-1.1926263088	 0.14885
+C	-4.1182814514	-1.113046963	-1.198977399	-0.300846
+C	-5.0368074106	 0.1213249781	-1.2896421753	-0.061372
+O	-3.9148771666	 1.0206182221	-1.1590085643	-0.294817
+H	-0.6866391062	-1.5326634691	-1.0371185523	 0.129237
+H	-0.8605953967	-1.8988350955	 0.6917291686	 0.130661
+H	-2.5900260646	-0.107246848	 0.9139491477	 0.080749
+H	-0.8832699482	 1.6349926319	-0.9437328556	 0.136701
+H	-1.0904539506	 1.8713032314	 0.80132351	 0.134728
+H	-2.3931602078	-0.0571841814	-2.1313070716	 0.067096
+H	-4.1438331176	-1.8003356181	-2.0453251062	 0.11277
+H	-4.2092113984	-1.681406087	-0.270878328	 0.110836
+H	-5.5500109518	 0.2479544725	-2.2513193024	 0.103412
+H	-5.7641011734	 0.2541523603	-0.4806972241	 0.107035
+19
+0 655	5.3813032	0.8068641	0.7325418	1.1313	75.89	-0.2469	-0.02413	0.22277000000000002	1498.0191	0.156005	-422.535623	-422.526855	-422.525911	-422.571087	31.22
+O	 1.2571465893	-0.0004570135	 0.6252009332	-0.284858
+C	 0.1176305629	-0.0003864196	 0.2636201794	 0.40717
+C	-0.9120074471	-1.1076292404	-0.0152803306	-0.369874
+C	-2.0181604474	-0.0008165582	-0.0374278992	 0.00968
+C	-0.9129200489	 1.1068367717	-0.0119703017	-0.369873
+C	-2.9768346016	 0.0005419771	-1.2094832139	-0.038697
+C	-4.1270174406	 1.0366038387	-1.1939896571	-0.086323
+O	-5.1271849567	-0.0002989549	-1.2255042171	-0.269522
+C	-4.1261838274	-1.0364861334	-1.1970786008	-0.086324
+H	-0.7450659454	-1.5717291783	-0.9946168199	 0.129888
+H	-0.9838832232	-1.8995841742	 0.7342400817	 0.132315
+H	-2.5820195918	-0.0024513915	 0.9010751732	 0.085782
+H	-0.746363536	 1.5740063806	-0.9899115208	 0.129888
+H	-0.9854476067	 1.896482845	 0.7399198081	 0.132316
+H	-2.4150935404	 0.0021678878	-2.1493042412	 0.075933
+H	-4.192385183	 1.6442327451	-0.2808653033	 0.098317
+H	-4.1945179144	 1.6998962726	-2.0647096836	 0.102932
+H	-4.1910617247	-1.6468862137	-0.2857693594	 0.098317
+H	-4.1931515769	-1.6972346811	-2.069771697	 0.102932
+19
+0 656	5.0587488	0.8672583	0.788198	4.2894	76.32	-0.27188	0.01393	0.28581	1447.4097	0.1576	-422.573671	-422.565367	-422.564423	-422.60748	30.634
+O	 1.3193811299	 0.2793559671	-0.233663603	-0.315486
+C	 0.1538642219	 0.0657663679	-0.1443546333	 0.444961
+C	-0.7783961897	-1.1448227166	-0.081309557	-0.438183
+C	-1.887599019	-0.0792810716	 0.0256736799	 0.111443
+O	-0.8617037202	 0.9820256284	-0.0497765937	-0.251774
+C	-2.8941760543	 0.0274612429	-1.0889353861	 0.042912
+C	-3.9202658902	 1.1961528128	-1.0653604023	-0.230947
+C	-5.0089412015	 0.1991513697	-1.5464371991	-0.20938
+C	-4.0927519737	-0.9672799234	-1.08573345	-0.240542
+H	-0.7863427043	-1.7523700756	-0.9884579376	 0.141572
+H	-0.6252699113	-1.7854869234	 0.7883572464	 0.143293
+H	-2.3722588177	-0.0300699951	 1.0060682913	 0.091969
+H	-2.3697849611	-0.0021767132	-2.0506887317	 0.078132
+H	-4.1071367157	 1.5389752262	-0.04256197	 0.104842
+H	-3.7045966376	 2.0664751561	-1.6876018514	 0.110799
+H	-5.9995516199	 0.2717534267	-1.0929140449	 0.102387
+H	-5.1237730063	 0.2167698818	-2.6337157231	 0.108341
+H	-4.3367574731	-1.2939115586	-0.0691670225	 0.102425
+H	-4.0202731964	-1.8505614121	-1.7242413318	 0.103235
+19
+0 657	6.075246	0.7424265	0.7183721	2.9845	77.34	-0.24167	-0.02079	0.22088	1581.8185	0.154758	-422.531649	-422.522771	-422.521827	-422.566351	32.663
+O	 1.1760828651	 0.236961828	 0.818550695	-0.287031
+C	 0.064060753	 0.107416869	 0.3976399327	 0.395964
+C	-0.8194719146	-1.1101600589	 0.0793703693	-0.372287
+C	-2.0367723088	-0.1257003138	 0.0382251146	 0.132873
+C	-1.0733871809	 1.0870644521	 0.0720688346	-0.370943
+O	-2.8348968431	-0.140428538	-1.1194474196	-0.257235
+C	-3.7174500586	-1.2215639044	-1.178704292	 0.136576
+C	-4.9669768485	-1.0099694411	-1.9670699108	-0.286415
+C	-5.0378334496	-1.1291915468	-0.4564785191	-0.286632
+H	-0.5981826478	-1.5120889925	-0.915705875	 0.13864
+H	-0.8152128856	-1.9236383748	 0.8083123778	 0.127592
+H	-2.6585750927	-0.204947598	 0.9386097468	 0.082809
+H	-0.9586953126	 1.5156128947	-0.9295966377	 0.145307
+H	-1.2618320795	 1.890177988	 0.7873920149	 0.13016
+H	-3.2308053937	-2.1955916343	-1.2304968512	 0.088357
+H	-5.1059459872	-0.021728585	-2.3899124447	 0.128259
+H	-5.3386399833	-1.8249559364	-2.5774242721	 0.116877
+H	-5.231170792	-0.217407256	 0.0975949142	 0.121569
+H	-5.4589579093	-2.0277685618	-0.0193771576	 0.115558
+19
+0 658	5.2803705	0.7563971	0.727014	4.0843	76.51	-0.27251	0.01306	0.28557	1578.1515	0.156914	-422.57124	-422.562621	-422.561677	-422.605552	31.586
+O	 1.251760479	 0.2121756341	 0.0919471422	-0.315768
+C	 0.0793537057	 0.0212683308	 0.0649447439	 0.449607
+C	-0.8795566077	-1.1699647912	 0.0508254844	-0.442542
+C	-1.9712325504	-0.0840739147	 0.0245112007	 0.14642
+C	-2.8510122808	 0.0278478811	-1.206179573	-0.238811
+C	-3.6444672789	 1.3165638391	-1.2416869814	 0.034504
+C	-4.9227793135	 1.4044768839	-2.0329653445	-0.277509
+C	-4.9692094055	 1.416733547	-0.5242291972	-0.259252
+O	-0.9224781261	 0.9574069771	 0.0414481034	-0.25249
+H	-0.8056024251	-1.7940320218	-0.8421647479	 0.141638
+H	-0.8303563246	-1.7967071905	 0.9424818376	 0.143706
+H	-2.5576203881	-0.0042737351	 0.9439082002	 0.101528
+H	-2.2192270204	-0.0566254698	-2.1003323232	 0.107331
+H	-3.5335887896	-0.8325409147	-1.2165570333	 0.102681
+H	-3.0259297486	 2.2089441765	-1.2267458931	 0.106072
+H	-5.1378123888	 2.3252520089	-2.5633624292	 0.116892
+H	-5.2667143419	 0.5097535821	-2.5420653086	 0.110578
+H	-5.2162145787	 2.3453376631	-0.0222450473	 0.117591
+H	-5.3470146062	 0.530070404	-0.0243613337	 0.107824
+19
+0 659	4.6238403	0.8037575	0.7279191	4.1068	76.41	-0.23881	-0.01621	0.2226	1530.9116	0.155221	-422.53809	-422.529176	-422.528232	-422.573114	32.259
+O	 1.2008892366	 0.0469564674	 0.6746422234	-0.289759
+C	 0.0544514543	 0.016473028	 0.3339042178	 0.404153
+C	-0.9421109129	-1.1250041987	 0.0627700829	-0.374496
+C	-2.0793816704	-0.0546000238	 0.0215967314	 0.025723
+C	-3.0081310723	-0.0817550821	-1.1905740679	-0.247929
+C	-3.9665937464	 1.0849564761	-1.2222827413	 0.101877
+C	-4.3893514503	 1.7241393339	-2.4737580586	-0.182465
+O	-3.4247212351	 2.3486982867	-1.6240089815	-0.230868
+C	-1.0131413765	 1.0888927332	 0.0791454633	-0.348201
+H	-0.7581509932	-1.6037156439	-0.9063323814	 0.127044
+H	-0.9958958997	-1.9048764869	 0.8268785845	 0.127992
+H	-2.6705789543	-0.0813165198	 0.9423981605	 0.081099
+H	-2.4126171223	-0.0748375714	-2.1124219794	 0.100831
+H	-3.58718724	-1.0151971995	-1.1900089043	 0.106036
+H	-4.6442315861	 1.1550483334	-0.3685367168	 0.092423
+H	-4.0040487949	 1.3510825473	-3.4220797287	 0.114411
+H	-5.3552440719	 2.2238211335	-2.5309167599	 0.116977
+H	-0.8769164785	 1.6011357817	-0.8787029948	 0.144591
+H	-1.119077466	 1.8501562648	 0.856083461	 0.130562
+19
+0 660	4.2452775	1.0563396	1.010259	3.4611	75.65	-0.23297	-0.01833	0.21464	1226.5383	0.15658	-422.572867	-422.56463	-422.563686	-422.606356	31.198
+O	 1.198892906	 0.0235593514	-0.6728940754	-0.294016
+C	 0.0637222993	 0.0216720705	-0.2936559815	 0.407437
+C	-0.9616109641	-1.0847057788	-0.0090333383	-0.414876
+C	-2.0705566981	 0.0074807275	-0.0145302064	 0.435866
+C	-0.9655394077	 1.1217174545	-0.0018641806	-0.405045
+C	-3.0283428755	 0.0300993113	-1.2102048857	-0.281877
+C	-4.2188027433	 0.8150494009	-0.6442718156	-0.235148
+C	-4.2489357962	 0.3104909705	 0.8033337965	-0.070323
+O	-2.8963893402	-0.0106201285	 1.1412370962	-0.31054
+H	-1.0295584915	-1.9009999982	-0.732955593	 0.12384
+H	-0.8305235795	-1.5035896958	 0.9943308997	 0.142879
+H	-1.0333699132	 1.9452166407	-0.7179310089	 0.120519
+H	-0.8367908207	 1.5289844966	 1.0064123369	 0.138551
+H	-2.5862814318	 0.4779796286	-2.10327144	 0.110034
+H	-3.3318928395	-0.9929700846	-1.4606182539	 0.108621
+H	-4.0162249058	 1.891025487	-0.6715282385	 0.111739
+H	-5.15527098	 0.6337820648	-1.1765750735	 0.10723
+H	-4.6244052212	 1.0545394946	 1.5136525659	 0.106831
+H	-4.8699008372	-0.592132723	 0.896879806	 0.098278
+19
+0 661	4.1244149	1.036543	1.0086124	2.5854	75.26	-0.24508	-0.02382	0.22125999999999998	1228.0148	0.156795	-422.566551	-422.558189	-422.557245	-422.600735	30.954
+O	 1.1232976414	-0.7268495258	 0.4572293802	-0.286965
+C	 0.0067441284	-0.3608907374	 0.235141649	 0.413992
+C	-1.3310948095	-1.0852254756	 0.0211539168	-0.401756
+C	-2.0362744619	 0.3132421292	 0.0568578461	 0.330825
+C	-0.6508286772	 1.0233024676	 0.0987694702	-0.432679
+C	-3.0182027926	 0.6264181628	-1.0784772781	-0.319942
+C	-4.3627640858	 0.1113633057	-0.5213397136	-0.064948
+O	-4.1949870128	-0.0379093062	 0.8932781683	-0.258631
+C	-2.9470614125	 0.5202252043	 1.2678705169	-0.124215
+H	-1.3740665182	-1.5885791908	-0.9512128771	 0.127584
+H	-1.6126745465	-1.8069096376	 0.793230218	 0.136373
+H	-0.3706494846	 1.5287553104	-0.8317524944	 0.131583
+H	-0.4710049704	 1.7126181423	 0.9301354882	 0.130456
+H	-3.0588732449	 1.70816834	-1.2455939071	 0.109799
+H	-2.7445050452	 0.1549070371	-2.0258716477	 0.105815
+H	-5.1855747558	 0.8067065815	-0.7309999973	 0.100924
+H	-4.6355524672	-0.8672186912	-0.9334223035	 0.106856
+H	-3.0397348288	 1.5969184223	 1.493507125	 0.08564
+H	-2.6037894058	 0.0113030015	 2.1745567601	 0.109289
+19
+0 662	4.0036611	1.0972674	1.0635671	4.3297	74.99	-0.26858	0.01584	0.28442	1199.8592	0.158277	-422.608727	-422.600694	-422.59975	-422.642082	30.395
+O	 1.2108608717	 0.2915269155	 0.0907549741	-0.322458
+C	 0.0393429912	 0.0875371966	 0.0654172773	 0.44166
+C	-0.9006178134	-1.1149477631	 0.0167358802	-0.509571
+C	-2.0165565299	-0.0557484329	 0.0368900762	 0.447622
+C	-2.9288010849	 0.0737890685	 1.2514991488	-0.260416
+C	-3.9021542179	 1.1841842867	 0.8289882896	-0.206847
+C	-4.1976469166	 0.8687793434	-0.656346525	-0.205092
+C	-2.9360263405	 0.1234453509	-1.1796196914	-0.266112
+O	-0.9708982542	 1.0092956621	 0.071703172	-0.27857
+H	-0.8163735717	-1.7096930371	-0.8949541527	 0.139695
+H	-0.8411886827	-1.7698485241	 0.8882218687	 0.139885
+H	-3.464019751	-0.8743354132	 1.3928780346	 0.104279
+H	-2.3692684759	 0.2871143542	 2.1657808817	 0.111423
+H	-4.8045495291	 1.2230253874	 1.4440239731	 0.099081
+H	-3.3991856358	 2.1527412673	 0.9177871037	 0.121754
+H	-5.0763622961	 0.2213583501	-0.7379527306	 0.103689
+H	-4.414705403	 1.7707818947	-1.2328775546	 0.108631
+H	-3.1972448338	-0.8559634003	-1.5919135877	 0.108725
+H	-2.4080460164	 0.6738489732	-1.9618711379	 0.122622
+19
+0 663	2.5361277	1.725222	1.5301381	1.8419	73.58	-0.23585	-0.01825	0.21760000000000002	961.8389	0.159953	-422.597872	-422.590733	-422.589788	-422.629178	28.945
+O	 1.1454521215	 0.067285384	-0.4558563281	-0.331336
+C	-0.0323337574	 0.0184014893	-0.2149502144	 0.415674
+C	-0.9936608016	 1.2151011642	-0.1088527722	-0.350983
+C	-2.3775530907	 0.5636949713	 0.0741767841	 0.110981
+C	-2.0372072507	-0.7118945597	 0.8733554381	-0.239676
+C	-0.8645100654	-1.2502280836	 0.0339127067	-0.115536
+C	-1.4472075834	-1.7229887801	-1.3219673811	-0.227915
+C	-2.1700195215	-0.5639711364	-2.0294058958	-0.081337
+O	-2.9954061239	 0.2041488262	-1.160452967	-0.269702
+H	-0.727577064	 1.797276702	 0.78110782	 0.132076
+H	-0.9139788026	 1.8815315777	-0.9711702845	 0.136251
+H	-3.0958189841	 1.2173570642	 0.5720352763	 0.084383
+H	-1.7279145385	-0.4625672463	 1.8943167153	 0.100483
+H	-2.8868063988	-1.3970703782	 0.9218980558	 0.107635
+H	-0.2639850437	-2.0330798902	 0.4997426901	 0.086586
+H	-0.6543669425	-2.1030109959	-1.9746078068	 0.116078
+H	-2.1453152432	-2.5449234401	-1.1280691954	 0.108642
+H	-1.4263976223	 0.0859124576	-2.5167032896	 0.10417
+H	-2.8320813072	-0.9373870963	-2.8152796116	 0.113527
+19
+0 664	2.5170676	1.7515509	1.5473924	3.3575	73.89	-0.234	-0.01322	0.22078	958.7022	0.160013	-422.597443	-422.590303	-422.589359	-422.6288	28.745
+O	 1.1995735995	-0.050817102	 0.0990836017	-0.331252
+C	-0.0016935229	-0.0292475731	 0.0617846976	 0.440441
+C	-0.8959288724	 1.220899265	 0.0883092392	-0.320595
+C	-2.328496636	 0.6507249477	 0.1360104283	-0.035097
+C	-2.1897561355	-0.6543220014	-0.6832444614	-0.243491
+C	-0.9352228434	-1.2495346597	-0.0209531456	-0.133688
+C	-1.2974580717	-1.6483209407	 1.4264030677	-0.082988
+O	-1.6943495179	-0.5190566363	 2.1913496632	-0.253961
+C	-2.708721099	 0.2631783753	 1.5746697105	-0.076397
+H	-0.6272088944	 1.8606176894	 0.9331612046	 0.132003
+H	-0.7230228103	 1.7946188689	-0.8297614077	 0.125162
+H	-3.0786359775	 1.3362196972	-0.2672019251	 0.073391
+H	-3.0658624806	-1.3048304285	-0.5968621977	 0.099325
+H	-2.0261678067	-0.4457964367	-1.7460448948	 0.102051
+H	-0.4672193177	-2.0866912434	-0.542175068	 0.087744
+H	-2.0974323992	-2.4074867764	 1.4064084968	 0.091587
+H	-0.4309105146	-2.0696831287	 1.9429077763	 0.126773
+H	-3.6682826068	-0.28099216	 1.5720269059	 0.087728
+H	-2.8227016031	 1.1481260234	 2.2083450486	 0.111264
+19
+0 665	2.4793769	1.7704249	1.5346495	3.3384	73.72	-0.22706	-0.02769	0.19937000000000002	961.7767	0.159851	-422.592446	-422.585259	-422.584315	-422.623827	28.993
+O	 1.1723697672	-0.1180654087	 0.2910997751	-0.317621
+C	-0.0210220072	-0.0660224595	 0.1628110557	 0.397707
+C	-0.8901882125	 1.2016373277	 0.1352508162	-0.332035
+C	-2.3353605371	 0.6617584427	 0.0635980748	-0.022889
+C	-2.1528778108	-0.6340543006	-0.7653311011	-0.242839
+C	-0.9821443817	-1.2736849589	-0.0156128806	 0.030423
+O	-1.4197181953	-1.7541033941	 1.2563803855	-0.270276
+C	-1.8898124945	-0.7318710223	 2.1336093181	-0.078782
+C	-2.8597473691	 0.2482949613	 1.4541049336	-0.220382
+H	-0.674104318	 1.8402584097	 0.9970735654	 0.12664
+H	-0.633337811	 1.7754269766	-0.7633577325	 0.13095
+H	-3.0209104548	 1.3728196663	-0.4030989022	 0.072081
+H	-3.0364593646	-1.2770966609	-0.7697588716	 0.107933
+H	-1.8758448845	-0.4096972291	-1.8022226611	 0.100205
+H	-0.4928197942	-2.1138933868	-0.5091691972	 0.094972
+H	-2.3741674415	-1.2542643009	 2.9627652326	 0.114412
+H	-1.0340335232	-0.1812062963	 2.5549621812	 0.104815
+H	-3.8427740646	-0.2217560203	 1.336913757	 0.104817
+H	-2.9916200927	 1.122457924	 2.1026308211	 0.099868
+19
+0 666	2.4883736	1.7596227	1.5216803	2.3804	73.34	-0.23345	-0.02034	0.21311	967.2261	0.159821	-422.603026	-422.595816	-422.594872	-422.634444	29.063
+O	 1.1805943981	-0.053464535	-0.2351281514	-0.320084
+C	-0.0153097731	-0.0232460718	-0.1204388286	 0.406115
+C	-0.9278022848	 1.210037459	-0.1151351831	-0.34586
+C	-2.3286506478	 0.5717313933	-0.1464969258	 0.080855
+C	-2.8274216279	 0.2204203236	-1.5559613446	-0.200876
+C	-1.8214732507	-0.6911284874	-2.2890527228	-0.226491
+C	-1.2890151178	-1.8066213055	-1.3655372726	-0.207957
+C	-0.9614701469	-1.2269245843	 0.0229972391	-0.019661
+O	-2.1392337922	-0.6544141423	 0.5879393922	-0.267707
+H	-0.7723639431	 1.7611228807	 0.8182105506	 0.138577
+H	-0.6902319519	 1.8778845306	-0.9466890613	 0.130235
+H	-3.0732264066	 1.1560141705	 0.3980488859	 0.084978
+H	-3.787575548	-0.29555772	-1.4433690397	 0.108348
+H	-3.0147622383	 1.1326642586	-2.1339916742	 0.097557
+H	-2.2829090838	-1.122960026	-3.1824159777	 0.103256
+H	-0.9768358016	-0.0895755119	-2.6476687826	 0.114171
+H	-2.0488009682	-2.5831205834	-1.2230213321	 0.109746
+H	-0.4013090783	-2.2797294176	-1.7977388717	 0.114308
+H	-0.5682747171	-1.9814006411	 0.7073127906	 0.100489
+19
+0 667	2.5006701	1.7625794	1.5708385	4.2994	73.27	-0.25831	0.01579	0.2741	957.9358	0.161242	-422.629584	-422.622605	-422.62166	-422.660712	28.281
+O	 1.1799612163	 0.0258485397	 0.2447969962	-0.350193
+C	-0.0082215556	-0.0406975608	 0.1278560325	 0.437488
+O	-0.8128229113	 1.0666698131	 0.1511515136	-0.238508
+C	-2.200230851	 0.6538660601	 0.0266349422	 0.102066
+C	-2.1004515962	-0.6555571994	-0.767325415	-0.235811
+C	-0.9038257655	-1.2720153782	-0.0327473749	-0.149799
+C	-1.3564413634	-1.7482063583	 1.3699904921	-0.215062
+C	-1.894181644	-0.5766427132	 2.2207896202	-0.209747
+C	-2.7872057814	 0.3963587748	 1.4209314494	-0.209249
+H	-2.7215355295	 1.458061037	-0.4956008411	 0.090661
+H	-3.010507673	-1.2579561897	-0.7119183292	 0.105084
+H	-1.8721839276	-0.4574166803	-1.8187460975	 0.112423
+H	-0.3791588467	-2.0605591951	-0.5723801488	 0.095744
+H	-2.1313440126	-2.5116489448	 1.2307223296	 0.101778
+H	-0.5223815128	-2.2282927998	 1.8909491691	 0.118589
+H	-2.4375472165	-0.9596840407	 3.0898356146	 0.10044
+H	-1.0423688699	-0.0137182425	 2.617317855	 0.131077
+H	-3.79759852	-0.0108157552	 1.2915496492	 0.10153
+H	-2.8904902893	 1.3396302032	 1.9662940128	 0.111489
+19
+0 668	2.6505254	1.6432577	1.4868197	1.9784	73.39	-0.2398	-0.01622	0.22358	978.9964	0.159915	-422.605318	-422.597981	-422.597037	-422.637334	28.898
+O	 1.103027178	-0.0008556995	-0.5186291314	-0.310634
+C	-0.057712358	-0.0034602228	-0.1822995748	 0.379924
+C	-0.8522523794	-1.2871630762	 0.0386032722	-0.306879
+C	-2.2866813536	-1.1359774015	-0.5114903611	 0.076724
+C	-2.3090790099	-0.7887625099	-2.0182880902	-0.232153
+C	-2.3131431587	 0.7660805563	-2.0200492679	-0.232143
+C	-2.2924934647	 1.1168184274	-0.5140477028	 0.07672
+C	-0.8588542869	 1.2766380175	 0.035662511	-0.306879
+O	-2.8994486395	-0.0104352898	 0.1191241764	-0.256499
+H	-0.31398951	-2.1246997374	-0.413257369	 0.118139
+H	-0.9193248123	-1.4656235876	 1.1193775318	 0.126547
+H	-2.8851945847	-2.0155571025	-0.2641649386	 0.085056
+H	-1.4523493973	-1.2106689743	-2.5494468935	 0.115474
+H	-3.2144235573	-1.1813448524	-2.4860562656	 0.110696
+H	-1.4586688083	 1.1912626627	-2.5522275391	 0.115471
+H	-3.2205629998	 1.1528565227	-2.4886337734	 0.110696
+H	-2.8955232064	 1.9938626875	-0.268695758	 0.085055
+H	-0.3249124371	 2.1158947589	-0.418129396	 0.118139
+H	-0.9268303139	 1.4572325611	 1.1160261601	 0.126547
+19
+0 669	2.8394848	1.5979033	1.3977774	4.5594	73.79	-0.25554	0.01601	0.27155	999.6284	0.160488	-422.622709	-422.615503	-422.614559	-422.654498	28.612
+O	 1.1097411866	-0.0477651429	-0.308229109	-0.329025
+C	-0.0604400443	-0.0213814686	-0.0398640325	 0.404693
+C	-0.8489190465	 1.2842738832	 0.0709572154	-0.344578
+C	-2.2744961517	 1.1390395582	 0.621933489	-0.019862
+C	-2.272290392	 0.7195212379	 2.114209924	-0.217969
+C	-2.146755737	-0.8342677249	 2.0920888655	-0.225684
+C	-2.0998886363	-1.1950514479	 0.596738214	 0.126199
+C	-2.9041097929	-0.081144401	-0.0719585757	-0.242994
+O	-0.7302602208	-1.1898171142	 0.1245150343	-0.240761
+H	-0.2422436959	 1.9738812117	 0.6655266628	 0.134427
+H	-0.8726837609	 1.6992936863	-0.9441329702	 0.136301
+H	-2.8285744115	 2.067128617	 0.4599908414	 0.072499
+H	-1.462112741	 1.1986691473	 2.6706496688	 0.107323
+H	-3.2085318576	 1.021692543	 2.5921618385	 0.104345
+H	-1.2561167472	-1.2075678377	 2.6018650722	 0.122751
+H	-3.0138789084	-1.3081206279	 2.5613983146	 0.107207
+H	-2.4500672183	-2.2049885778	 0.3803754531	 0.090717
+H	-2.8021196759	-0.0779954314	-1.1608094972	 0.109316
+H	-3.9651948483	-0.1874210003	 0.1774306811	 0.105095
+19
+0 670	2.7200721	1.6232264	1.4385442	3.4431	73.72	-0.23781	-0.015	0.22281	988.1755	0.159619	-422.601657	-422.594329	-422.593385	-422.633587	28.93
+O	 1.1634896627	 0.0522016254	 0.1622647939	-0.306704
+C	-0.0419486692	 0.0278400055	 0.1012232122	 0.398701
+C	-0.8625840611	 1.3197039784	 0.0102738093	-0.315749
+C	-2.2695094731	 1.2021149183	 0.6271342544	-0.047529
+C	-2.2076656594	 0.7566499693	 2.0969585137	-0.07554
+O	-2.0732212858	-0.6720634305	 2.0657238067	-0.278789
+C	-2.2149786571	-1.1265920793	 0.7109867791	 0.0997
+C	-2.9957429563	-0.0075608659	 0.014125605	-0.234497
+C	-0.8226603796	-1.2886845912	 0.0859073619	-0.310922
+H	-0.2722402063	 2.1195142293	 0.4665778554	 0.125368
+H	-0.9540618298	 1.5652460143	-1.0574020912	 0.123044
+H	-2.8149617172	 2.1417211844	 0.510072727	 0.077304
+H	-1.3580830802	 1.1859151833	 2.6406240638	 0.109519
+H	-3.1282379889	 1.0242355926	 2.6337337088	 0.097734
+H	-2.7437173698	-2.0835647818	 0.7365975418	 0.081806
+H	-2.9361664271	-0.0490815231	-1.0766232688	 0.099828
+H	-4.0495205032	-0.029213116	 0.3073746804	 0.106954
+H	-0.2294786439	-2.0374304714	 0.6167404745	 0.132082
+H	-0.9129756047	-1.6230598218	-0.9572705879	 0.117689
+19
+0 671	2.4973432	1.654392	1.6184731	2.3195	73.52	-0.23721	-0.01549	0.22172	962.2903	0.159869	-422.598014	-422.590588	-422.589643	-422.63012	29.026
+O	 1.297185474	 0.065288055	-0.196799686	-0.328127
+C	 0.0973813495	 0.0335434344	-0.0769975916	 0.416349
+C	-0.7165870366	-1.2474069671	 0.1141219617	-0.329741
+C	-2.1939886207	-0.8583429043	 0.2705372532	 0.095171
+C	-2.3807650375	 0.0547368986	 1.4915419317	-0.214262
+C	-1.5126952922	 1.3302172432	 1.2923155957	-0.229942
+C	-0.8128601355	 1.2537415856	-0.0867221661	-0.135606
+C	-1.8943981203	 1.0270648818	-1.1595222415	-0.080445
+O	-2.6259953406	-0.1774026813	-0.9103265367	-0.277919
+H	-0.5755003062	-1.888626571	-0.7628154583	 0.137316
+H	-0.3371374335	-1.7975770191	 0.9825751157	 0.127422
+H	-2.8301761213	-1.7440029731	 0.3396120029	 0.082096
+H	-3.4398768262	 0.3105495639	 1.5802023228	 0.111005
+H	-2.0998030659	-0.4816052685	 2.4037798664	 0.103382
+H	-2.1325617835	 2.2318032603	 1.3205563697	 0.110595
+H	-0.766502668	 1.434824857	 2.0852001823	 0.114592
+H	-0.2308139933	 2.1518355787	-0.3026725185	 0.086543
+H	-2.5935377187	 1.875625121	-1.1588258582	 0.10169
+H	-1.4484939536	 0.9642098548	-2.1608070752	 0.109882
+19
+0 672	2.474956	1.671402	1.6389948	3.3582	73.61	-0.22643	-0.01763	0.20879999999999999	959.5499	0.15981	-422.595888	-422.588483	-422.587539	-422.627822	29.058
+O	 1.2135280631	-0.0597304048	-0.6092719267	-0.325069
+C	 0.0800619749	-0.0349594117	-0.2001412775	 0.424593
+C	-0.7486278436	-1.2717539853	 0.153213273	-0.32646
+C	-2.1999794144	-0.8227317835	 0.4052720016	-0.045489
+C	-2.7187750102	-0.0666425992	-0.8360858756	-0.218808
+C	-1.9012425376	 1.2481835741	-0.9971363947	-0.236575
+C	-0.7445925786	 1.2352856361	 0.0167784512	 0.002519
+O	-1.2467390856	 1.2046213863	 1.3560648235	-0.280605
+C	-2.1904668443	 0.1502769958	 1.5880866799	-0.060602
+H	-0.6720228421	-1.9940494683	-0.6665466967	 0.12727
+H	-0.3127639134	-1.7484809535	 1.0397326117	 0.130764
+H	-2.8405942384	-1.678840667	 0.636800755	 0.074437
+H	-2.6205894326	-0.7011607384	-1.7230565315	 0.10369
+H	-3.7844267311	 0.1533719988	-0.7210043617	 0.104788
+H	-1.5077075051	 1.3604782927	-2.011955643	 0.117541
+H	-2.5193088933	 2.1270801028	-0.7898807506	 0.115273
+H	-0.1110998795	 2.1201342636	-0.0576846329	 0.094346
+H	-1.8959708148	-0.3559989416	 2.5161891288	 0.10365
+H	-3.1898915834	 0.5821031031	 1.7441055663	 0.094738
+19
+0 673	2.4559805	1.6924298	1.6798928	4.5625	73.27	-0.25263	0.02268	0.27531	954.0726	0.161228	-422.627199	-422.620022	-422.619078	-422.658776	28.404
+O	 1.319818154	-0.2200808285	 0.1374490005	-0.347859
+C	 0.1302889121	-0.1220421965	 0.0166562587	 0.43025
+O	-0.6541061873	-1.2316944786	-0.0891530761	-0.240929
+C	-2.0685933716	-0.9476400153	-0.2289702714	 0.104305
+C	-2.2730504666	-0.126273463	-1.5066401344	-0.217056
+C	-1.4462907714	 1.1819576342	-1.3837649621	-0.22476
+C	-0.6821858596	 1.1604063226	-0.0387474085	-0.139327
+C	-1.705201229	 1.1261873411	 1.1212814006	-0.22476
+C	-2.5335563186	-0.1824713516	 1.0149008589	-0.217057
+H	-2.5460270166	-1.9265533931	-0.3001109674	 0.089143
+H	-1.9458263354	-0.7196254608	-2.3646725401	 0.117762
+H	-3.3398085691	 0.0773543073	-1.6416828267	 0.106419
+H	-0.7416399548	 1.2776131126	-2.2140337748	 0.119085
+H	-2.0911135702	 2.0662634216	-1.4090393011	 0.104755
+H	 0.0001139185	 2.0061356427	 0.0506028685	 0.092008
+H	-1.1856216299	 1.1820889326	 2.0814585173	 0.119085
+H	-2.3456575736	 2.0113960461	 1.0530487873	 0.104755
+H	-2.3857544368	-0.8145412546	 1.8946772282	 0.117764
+H	-3.6063397639	 0.0197642811	 0.9380262726	 0.106418
+19
+0 674	3.0683169	1.4270511	1.2351483	4.413	73.9	-0.26052	0.0184	0.27891999999999995	1070.3647	0.160273	-422.628991	-422.621573	-422.620629	-422.661435	28.733
+O	 1.3749362821	-0.2620076394	-0.3240276175	-0.336773
+C	 0.1868491951	-0.2113122266	-0.1910459902	 0.421204
+C	-0.7729413381	-1.3400440129	 0.1647281976	-0.373447
+C	-2.1767949875	-0.7688378845	-0.0642433369	-0.036984
+C	-2.8367771292	-1.130617426	-1.4253720192	-0.219345
+C	-2.6189559952	 0.0934206418	-2.3377308423	-0.212007
+C	-2.6857674874	 1.2765935829	-1.3594132013	-0.216152
+C	-1.9290350336	 0.7712950512	-0.1314228948	 0.109248
+O	-0.512637865	 0.9446839086	-0.339393219	-0.23041
+H	-0.5405839625	-2.2235828256	-0.4337284035	 0.138336
+H	-0.5959548686	-1.6079572528	 1.2116570292	 0.139432
+H	-2.8421134013	-1.0218668421	 0.7628080242	 0.083767
+H	-2.4338369855	-2.0553580433	-1.847860365	 0.103373
+H	-3.9100376376	-1.2905077405	-1.276370846	 0.103897
+H	-1.6283969734	 0.0553066019	-2.8040629252	 0.118403
+H	-3.3549210364	 0.1591281395	-3.1428314173	 0.101555
+H	-2.2571237927	 2.2047391545	-1.7443442083	 0.118471
+H	-3.7258498373	 1.4773783317	-1.074599839	 0.101368
+H	-2.1888825258	 1.3033306418	 0.7882098744	 0.086064
+19
+0 675	3.4684036	1.3053133	1.1233983	3.4946	74.42	-0.23773	-0.01441	0.22332	1118.4541	0.158802	-422.599961	-422.592122	-422.591178	-422.633538	29.436
+O	 1.2148387886	 0.0446007781	-0.5552352122	-0.309647
+C	 0.0914035786	 0.0747088349	-0.12733189	 0.401782
+C	-0.8168002946	-1.1432679996	 0.0900127275	-0.33054
+C	-2.0304192295	-0.6432083551	 0.8959258126	-0.019495
+C	-3.4056918017	-1.1487336646	 0.4126757792	-0.266138
+C	-3.9040377107	-0.0102032372	-0.5206957383	-0.069233
+O	-2.8392643808	 0.928570807	-0.6305024953	-0.265339
+C	-2.0896952011	 0.8745293731	 0.5772649339	 0.102085
+C	-0.6665778508	 1.3364458578	 0.3056016249	-0.345487
+H	-1.1147583408	-1.5028878039	-0.9022418789	 0.135759
+H	-0.260336765	-1.9547873382	 0.5651393632	 0.127778
+H	-1.8799270624	-0.8241751839	 1.9634470537	 0.078211
+H	-3.325091703	-2.1055800679	-0.1092664932	 0.111085
+H	-4.0936399441	-1.2928817315	 1.2497322261	 0.106756
+H	-4.1495058169	-0.3482537053	-1.5310902122	 0.111574
+H	-4.7972486891	 0.4739738873	-0.0987429769	 0.095083
+H	-2.5913671702	 1.4512591753	 1.3687806017	 0.063232
+H	-0.6088285697	 2.1160679842	-0.4571837446	 0.144143
+H	-0.1923601367	 1.7272012794	 1.2139703188	 0.12839
+19
+0 676	3.2153134	1.3068697	1.1237293	2.2519	73.69	-0.24265	-0.02187	0.22078	1117.3872	0.159281	-422.594882	-422.587225	-422.586281	-422.628096	29.182
+O	 1.105929923	 0.1480928358	 0.6412748921	-0.301218
+C	-0.0378214888	 0.0612162271	 0.2797471484	 0.392674
+C	-0.7530602607	-1.2266499095	-0.1434223477	-0.3476
+C	-1.9190374569	-0.7896061605	-1.0429310144	-0.029291
+C	-1.6511556492	-0.9109995335	-2.5602515257	-0.096648
+O	-2.2231462447	 0.241106902	-3.1534540336	-0.235337
+C	-1.9089180741	 1.3110162985	-2.2799683121	-0.096642
+C	-2.099104665	 0.7642864785	-0.8468888806	-0.029308
+C	-1.0362253512	 1.2184735831	 0.1648705957	-0.347598
+H	-0.0494812285	-1.918753163	-0.6134437762	 0.130227
+H	-1.1113838596	-1.7119010847	 0.773256096	 0.130254
+H	-2.8401859238	-1.3170755582	-0.790195328	 0.083612
+H	-0.5644281547	-0.945233086	-2.7525089288	 0.088928
+H	-2.1077994364	-1.7908424965	-3.0200109326	 0.11246
+H	-0.8638302011	 1.6354377674	-2.4271003627	 0.088929
+H	-2.5650921875	 2.1503613247	-2.522788459	 0.112459
+H	-3.1077353086	 0.9923050942	-0.4986297476	 0.083613
+H	-0.5200458038	 2.1445932366	-0.1012375925	 0.130228
+H	-1.4682889785	 1.370988654	 1.1619762992	 0.130257
+19
+0 677	3.1829324	1.4007339	1.1152424	3.986	75.61	-0.23662	-0.02383	0.21279	1111.6436	0.158509	-422.564478	-422.556764	-422.55582	-422.596684	29.993
+O	 1.099794309	-0.1080496008	 0.7291565302	-0.291082
+C	 0.000266518	-0.0723363767	 0.2644691631	 0.406944
+C	-1.0828712525	-1.1237094728	-0.0234110952	-0.363838
+C	-2.1224739083	 0.0406365402	 0.0585055341	-0.011868
+C	-3.2816320497	 0.1319276728	-0.9360231745	-0.236795
+C	-2.8109054599	 0.5569923255	-2.3345319201	-0.2056
+C	-1.8561768478	 1.7434402246	-2.2230693994	-0.059386
+O	-0.6965470534	 1.3901821019	-1.4783343939	-0.268233
+C	-0.9637015666	 1.0790507127	-0.1219906217	-0.01043
+H	-0.9753904021	-1.5303858251	-1.0339428718	 0.136051
+H	-1.1683996768	-1.949618646	 0.6856844993	 0.125321
+H	-2.4995258308	 0.1069642387	 1.0835922543	 0.086012
+H	-3.8227304475	-0.8202027935	-0.9759627993	 0.10404
+H	-3.9960460894	 0.8795307875	-0.5672882989	 0.102455
+H	-2.2863078042	-0.2630187824	-2.8390492178	 0.108458
+H	-3.6702539201	 0.8224617084	-2.9598893496	 0.099596
+H	-1.490364646	 2.059137083	-3.2039268797	 0.112471
+H	-2.3641106832	 2.6044793988	-1.7561567678	 0.087914
+H	-0.9815615088	 1.9857505732	 0.4981987389	 0.07797
+19
+0 678	3.1630577	1.3703477	1.0909781	2.7089	74.97	-0.23921	-0.01912	0.22009	1118.7296	0.158876	-422.566584	-422.558915	-422.557971	-422.59881	29.807
+O	 1.1404654358	 0.0208553356	 0.6908881423	-0.300163
+C	 0.0176876836	 0.0035853534	 0.2773477768	 0.400251
+C	-1.0123609989	-1.1117930871	 0.0235505087	-0.370295
+C	-2.1101963667	-0.0009453949	 0.0663151485	 0.009675
+C	-3.2488775108	 0.0231585779	-0.955157267	-0.23509
+C	-2.7824926145	 0.5107875692	-2.3288149668	-0.079735
+O	-2.0654036071	 1.7297717024	-2.2196094512	-0.235001
+C	-0.8272381905	 1.5369243605	-1.5683264907	-0.09561
+C	-0.9987315489	 1.095377539	-0.0949466158	-0.157356
+H	-0.8823727593	-1.5597702064	-0.9678660029	 0.128824
+H	-1.0573672619	-1.9141270938	 0.7633312947	 0.128333
+H	-2.5229836243	 0.0464317299	 1.0773920504	 0.087079
+H	-3.7128136559	-0.9665771772	-1.0436313139	 0.100717
+H	-4.0247460224	 0.7110316779	-0.5998309704	 0.11051
+H	-2.1529271616	-0.2478339845	-2.82582458	 0.086652
+H	-3.6378198673	 0.7100398394	-2.9801685439	 0.110973
+H	-0.2333839152	 0.7925782727	-2.1256912398	 0.092798
+H	-0.2899701692	 2.4866380482	-1.6168782713	 0.124168
+H	-1.0561665551	 1.9628484578	 0.5658572323	 0.093269
+19
+0 679	3.1929172	1.3668587	1.0976237	2.4542	75.15	-0.23834	-0.01637	0.22197	1116.48	0.1588	-422.567691	-422.559995	-422.559051	-422.599975	29.804
+O	 1.1387257536	-0.136254783	 0.6767745813	-0.303476
+C	 0.0146110264	-0.0871591591	 0.2699781655	 0.404172
+C	-1.0838114355	-1.134561579	 0.0262475482	-0.362706
+C	-2.1098957074	 0.0376257695	 0.0926660103	-0.009718
+C	-3.240488742	 0.1093801847	-0.9270841552	-0.108467
+O	-2.7796118678	 0.3849652711	-2.237472754	-0.241174
+C	-2.0838784632	 1.6202841283	-2.2937465469	-0.07658
+C	-0.7459041788	 1.5196318873	-1.5629728963	-0.221384
+C	-0.9372943882	 1.0677591276	-0.092608756	-0.146576
+H	-1.0094349564	-1.5564189515	-0.9821965318	 0.140749
+H	-1.1626590686	-1.9494803975	 0.7488958248	 0.125184
+H	-2.5271272075	 0.1157931395	 1.1008282676	 0.084717
+H	-3.7785309808	-0.8425993495	-0.9836205927	 0.111237
+H	-3.9622875063	 0.8853208248	-0.6186006675	 0.088465
+H	-1.9305315259	 1.8415749686	-3.3539206234	 0.110993
+H	-2.7068454794	 2.4240999436	-1.8653140818	 0.087053
+H	-0.1258789529	 0.7968438518	-2.1054938056	 0.115168
+H	-0.2128935255	 2.4746039311	-1.5941948685	 0.112436
+H	-0.9302249539	 1.9236471015	 0.5865337819	 0.089909
+19
+0 680	2.6310194	1.6028729	1.2402703	2.8779	75.41	-0.24026	-0.01651	0.22375	1058.1578	0.158401	-422.572741	-422.565041	-422.564097	-422.604989	29.958
+O	 1.1345296691	 0.1507487452	 0.483398316	-0.299268
+C	-0.0073502751	-0.0011712423	 0.1632311738	 0.386294
+C	-0.9225356643	-1.2234776839	-0.0457411144	-0.346909
+C	-2.1161609704	-0.2606148574	 0.1820434052	 0.087008
+O	-2.4899490383	-0.3601267724	 1.5420106394	-0.263376
+C	-2.9780941448	 0.855104268	 2.0975626028	-0.066118
+C	-1.8687027428	 1.9033396919	 2.1580846564	-0.207387
+C	-1.3729093272	 2.2347459479	 0.7426591722	-0.239357
+C	-1.1828654271	 0.9658204156	-0.0852111482	-0.117939
+H	-0.8609244594	-1.5974620321	-1.0726646826	 0.125744
+H	-0.8292886718	-2.051802384	 0.6582631861	 0.137643
+H	-2.9894393718	-0.3664184313	-0.4737256143	 0.068601
+H	-3.83576197	 1.230440741	 1.5134452263	 0.085088
+H	-3.3408230653	 0.5990293742	 3.0968350324	 0.11061
+H	-2.2323981732	 2.8085531701	 2.6562424745	 0.097504
+H	-1.0497908096	 1.5002119483	 2.764728311	 0.119707
+H	-2.1080835417	 2.8797833395	 0.2454158583	 0.100341
+H	-0.4312840273	 2.7931203498	 0.7752785154	 0.119981
+H	-1.1822559489	 1.1929427419	-1.1594376902	 0.101832
+19
+0 681	2.7783416	1.5069692	1.1709947	4.2344	73.89	-0.26673	0.01233	0.27906000000000003	1089.1871	0.159956	-422.605989	-422.598383	-422.597439	-422.638473	29.227
+O	 1.2364622417	 0.2891765679	 0.1716474496	-0.330126
+C	 0.0563462012	 0.1397149028	 0.1533194003	 0.446422
+O	-0.6406008451	-1.0347471161	 0.0399971691	-0.257577
+C	-1.9353557057	-0.3242618151	-0.0366664177	 0.111202
+C	-2.5885119081	-0.5145054907	-1.4128822125	-0.22115
+C	-2.9328565651	 0.8079433262	-2.1178513271	-0.195348
+C	-1.7263544677	 1.7546587359	-2.1428010135	-0.202624
+C	-1.3567954389	 2.1951214685	-0.7197938114	-0.226479
+C	-1.1964219203	 1.0138271834	 0.2378646397	-0.205664
+H	-2.5732915669	-0.6673301333	 0.7798998894	 0.096717
+H	-1.8762353439	-1.0713400794	-2.0312660581	 0.126664
+H	-3.479503109	-1.1430671808	-1.3204477834	 0.104797
+H	-3.275511721	 0.5908336774	-3.1347744563	 0.103261
+H	-3.770272272	 1.3030665281	-1.6071874528	 0.096609
+H	-0.8739710024	 1.2503443659	-2.6173283841	 0.111028
+H	-1.9449317695	 2.6386432371	-2.7506764436	 0.10105
+H	-0.4317296858	 2.7816550166	-0.7135196481	 0.123039
+H	-2.1474638138	 2.8529412702	-0.3389096719	 0.103522
+H	-1.3253464677	 1.3395375954	 1.2746111226	 0.114656
+19
+0 682	3.6351307	1.0365594	0.9220652	4.4094	75.05	-0.26159	0.01626	0.27785	1302.7939	0.158148	-422.590208	-422.581968	-422.581024	-422.623794	30.7
+O	 1.1908315403	-0.0124747214	 0.4276244809	-0.335775
+C	 0.0416578185	-0.0529321779	 0.0994175599	 0.431199
+C	-0.7614833275	-1.2395231504	-0.4238179689	-0.371976
+C	-2.2248993353	-0.798508092	-0.2604409383	-0.045831
+C	-2.0772665901	 0.735139769	-0.362055131	-0.091057
+O	-0.7688307341	 1.0426404399	 0.146526823	-0.219629
+C	-2.8145500987	-1.2266185993	 1.0689860857	 0.036708
+C	-4.3083480705	-1.3269473345	 1.2434638449	-0.279149
+C	-3.4634875073	-2.578478742	 1.2146657567	-0.278574
+H	-0.4910310066	-1.389178774	-1.4753303709	 0.134474
+H	-0.4994024005	-2.1484617643	 0.1192814463	 0.14129
+H	-2.8580058071	-1.1741882298	-1.0699721614	 0.078839
+H	-2.1418174889	 1.0881615176	-1.398271103	 0.111011
+H	-2.8074284115	 1.2771006754	 0.2427556951	 0.126748
+H	-2.258600581	-0.8706427378	 1.9338102248	 0.098283
+H	-4.7414128928	-1.0176367327	 2.1879699837	 0.118608
+H	-4.9356635349	-1.1231367818	 0.3813120608	 0.112031
+H	-3.3185755323	-3.1254802859	 2.1393212895	 0.119226
+H	-3.5260930698	-3.2085559982	 0.3329944423	 0.113574
+19
+0 683	4.3384382	0.9051615	0.7855432	1.5481	75.75	-0.24037	-0.01799	0.22238	1421.1701	0.156824	-422.568185	-422.559731	-422.558786	-422.602037	31.27
+O	 1.0806619852	-0.1711567776	-0.7752809748	-0.309874
+C	-0.0038670808	-0.1080151871	-0.2589214675	 0.40182
+C	-0.7754283338	-1.2763317364	 0.3672207318	-0.324414
+C	-2.1850427002	-0.7273422883	 0.6253352779	-0.228815
+C	-1.9659492704	 0.7855441358	 0.884094333	-0.004431
+C	-0.8528716563	 1.1613988324	-0.1097562306	-0.341739
+C	-3.2203027169	 1.6072056292	 0.7395909006	 0.081509
+C	-3.5055129617	 2.7775818746	 1.5785042072	-0.183947
+O	-4.1656315258	 1.5310544405	 1.8088807189	-0.242041
+H	-0.7280013393	-2.1624641391	-0.2699241303	 0.130218
+H	-0.2695973533	-1.5325915552	 1.3076505395	 0.133904
+H	-2.8083562013	-0.855338349	-0.2689101849	 0.104887
+H	-2.7034328093	-1.213588079	 1.4539838936	 0.120395
+H	-1.594334363	 0.9130765915	 1.9086697202	 0.082481
+H	-1.2764830947	 1.3873358049	-1.0992744302	 0.128895
+H	-0.2387874745	 2.0177984997	 0.1772459767	 0.130494
+H	-3.6754470705	 1.5748578241	-0.2541099646	 0.089842
+H	-2.7903142147	 3.0749631216	 2.3447500277	 0.113436
+H	-4.1368514988	 3.5791214074	 1.1978442859	 0.11738
+19
+0 684	3.6353648	1.0693954	0.9112047	4.4117	75.6	-0.26042	0.01858	0.27899999999999997	1303.2322	0.158097	-422.59323	-422.584954	-422.58401	-422.626851	30.809
+O	 1.238155866	 0.1920797229	 0.2870653816	-0.336683
+C	 0.0540107943	 0.0571203299	 0.182005898	 0.425203
+C	-0.7269378804	-1.1974616106	-0.198640817	-0.358153
+C	-2.165747287	-0.866160884	 0.2038464252	-0.248722
+C	-2.189243567	 0.6792360629	 0.1556944639	 0.090684
+O	-0.8179899074	 1.0789048827	 0.3956462816	-0.222788
+C	-2.6761854734	 1.2519428725	-1.150685985	 0.022917
+C	-4.1359373057	 1.6082026035	-1.3017623681	-0.273678
+C	-3.0950844993	 2.695538117	-1.2282871952	-0.265597
+H	-0.6154483534	-1.3496367799	-1.2778560777	 0.140063
+H	-0.2996170554	-2.0698472712	 0.2971241436	 0.140005
+H	-2.9224718194	-1.2997617949	-0.452345913	 0.118371
+H	-2.3647504483	-1.2112658403	 1.2222466707	 0.116872
+H	-2.776301688	 1.1027494496	 0.9765958404	 0.08889
+H	-2.1849528527	 0.8419595811	-2.0298883819	 0.086432
+H	-4.6144228165	 1.4095314789	-2.2538658527	 0.117945
+H	-4.7851216678	 1.4676576053	-0.443322694	 0.114829
+H	-2.8582076303	 3.2471029583	-2.1306501738	 0.120279
+H	-3.0374616283	 3.2856814065	-0.3198849966	 0.123132
+19
+0 685	3.6102923	1.0436064	0.9265683	2.1193	75.51	-0.2424	-0.02342	0.21898	1300.7563	0.156767	-422.561544	-422.553077	-422.552132	-422.595527	31.393
+O	 1.2541100595	-0.1656178213	-0.4962626549	-0.298314
+C	 0.107038027	-0.0497904676	-0.1577066753	 0.36672
+C	-0.9073862766	-1.1844725138	 0.0110846497	-0.183453
+O	-2.0909898218	-0.5946717712	 0.5048484168	-0.263234
+C	-2.1153539842	 0.8044783538	 0.1494028892	 0.078245
+C	-0.6424222021	 1.2386899493	 0.1799756926	-0.351898
+C	-2.7808626747	 1.0363009023	-1.1881618861	 0.024764
+C	-4.2817391137	 1.0115151206	-1.2866046934	-0.26836
+C	-3.54281136	 2.3185178086	-1.4239567332	-0.272777
+H	-1.054093693	-1.6826515564	-0.9608498875	 0.122437
+H	-0.5453046259	-1.9359116819	 0.7208831357	 0.136448
+H	-2.7066135416	 1.2943771617	 0.929641073	 0.08274
+H	-0.3862125886	 2.042853462	-0.5117980762	 0.138386
+H	-0.3412024992	 1.5470172187	 1.1878180126	 0.137787
+H	-2.2325113713	 0.6423307155	-2.0411695289	 0.084309
+H	-4.7307996836	 0.5767667176	-2.172268338	 0.116139
+H	-4.8414392272	 0.8360084471	-0.3739244607	 0.120238
+H	-3.4804868993	 2.780430597	-2.4026428188	 0.116406
+H	-3.6082194836	 3.027213388	-0.6043085666	 0.113419
+19
+0 686	2.9571261	1.3408193	1.2018017	3.2981	76.08	-0.22613	-0.023	0.20313	1118.9275	0.157227	-422.570363	-422.562043	-422.561099	-422.604109	30.919
+O	 1.1899640194	 0.0314098849	-0.4111340923	-0.298914
+C	 0.0250023029	-0.0360414896	-0.151909029	 0.339472
+C	-0.9553856147	-1.1874329417	 0.14178552	-0.347472
+C	-2.1185342018	-0.1901813511	-0.1325669133	-0.300472
+C	-1.1212376077	 1.0137000429	-0.0977600531	 0.349658
+C	-1.1062080055	 1.8844100443	 1.1807027217	-0.29789
+C	-1.7288902482	 3.2013915391	 0.6908090533	-0.225842
+C	-1.2076858389	 3.2563682845	-0.7445005956	-0.075189
+O	-1.2093578783	 1.8999619407	-1.1925239662	-0.30117
+H	-0.8691373484	-2.0598757886	-0.5095371177	 0.133932
+H	-0.8868672498	-1.5228300372	 1.1818041134	 0.130279
+H	-2.5346648222	-0.3049692127	-1.1352280281	 0.123494
+H	-2.9297971083	-0.1651718086	 0.5971762917	 0.101995
+H	-1.6452290735	 1.4229215677	 2.0107635679	 0.110226
+H	-0.0721216692	 2.0542497051	 1.4994125199	 0.123869
+H	-2.8219344558	 3.1384502311	 0.695556154	 0.111449
+H	-1.4310112578	 4.0653207085	 1.2895764389	 0.108145
+H	-1.8372010527	 3.8362732493	-1.425472532	 0.109972
+H	-0.1877356494	 3.6662829117	-0.7809841838	 0.104458
+19
+0 687	3.0051495	1.290118	1.1618304	1.9348	75.62	-0.24169	-0.02502	0.21666999999999997	1122.1821	0.157559	-422.566895	-422.558524	-422.55758	-422.60114	30.634
+O	 1.1159069573	-0.4915700874	-0.3142314933	-0.303951
+C	-0.0435895684	-0.2682992851	-0.1130391373	 0.344143
+C	-1.2892247567	-1.1408592215	 0.1001075867	-0.342281
+C	-2.1494078658	 0.1481711301	-0.0794300509	-0.301496
+C	-0.8600549605	 1.0330778278	-0.0526611894	 0.238613
+C	-0.6339108386	 2.1002637508	-1.1455821344	-0.329617
+C	-0.680636825	 3.4473523586	-0.3769191504	-0.074566
+O	-1.1548869348	 3.1438236367	 0.9287153783	-0.239901
+C	-0.649785322	 1.8600410624	 1.235943529	-0.145404
+H	-1.4275306998	-1.9531718769	-0.6179251189	 0.131614
+H	-1.3227186008	-1.5656897686	 1.1089315087	 0.1341
+H	-2.6620957832	 0.1798675641	-1.0434129531	 0.110477
+H	-2.8747757224	 0.3533782329	 0.7100065171	 0.11291
+H	 0.3349653384	 1.9511607269	-1.630161126	 0.127731
+H	-1.4072288183	 2.0387947413	-1.915015214	 0.113065
+H	 0.3232341057	 3.895020599	-0.3233713401	 0.098253
+H	-1.3612368457	 4.1806322666	-0.8166220199	 0.111826
+H	 0.425645404	 1.9025315819	 1.4774265506	 0.102664
+H	-1.1929492533	 1.4751911607	 2.1028723873	 0.111819
+19
+0 688	2.9606402	1.2952155	1.1858279	1.2771	75.78	-0.25149	-0.02771	0.22377999999999998	1133.6568	0.157269	-422.571685	-422.563412	-422.562468	-422.605559	30.802
+O	 1.3076873601	 0.2392708268	-0.00614388	-0.286903
+C	 0.1274093807	 0.0607404229	-0.0132371929	 0.285113
+C	-0.8179643211	-1.1435597984	-0.0071194049	-0.197889
+O	-1.9391806477	-0.2401838619	-0.0316366581	-0.327764
+C	-1.1102990468	 0.9651743688	-0.0434427162	 0.330717
+C	-1.2996346907	 1.8504198361	-1.2916151112	-0.263439
+C	-2.1598021868	 3.0315012644	-0.8138893744	-0.211074
+C	-1.6162852992	 3.2983150391	 0.5989040167	-0.201846
+C	-1.3756990582	 1.8874209702	 1.1736291797	-0.277563
+H	-0.7584396252	-1.7872800558	-0.8943000228	 0.130093
+H	-0.7851530358	-1.7672083912	 0.8955469356	 0.130436
+H	-0.3136036797	 2.2120327948	-1.6092572252	 0.119505
+H	-1.731331947	 1.2758023144	-2.1140020846	 0.112413
+H	-2.0955064375	 3.9005005914	-1.4742717711	 0.099766
+H	-3.2130892308	 2.7309511568	-0.7630614325	 0.109601
+H	-0.6687571645	 3.84560354	 0.5332136104	 0.107275
+H	-2.2928208796	 3.891981198	 1.2194554199	 0.101724
+H	-0.5622267022	 1.8558085158	 1.9035165533	 0.113836
+H	-2.2746135379	 1.4998690679	 1.6631331381	 0.125999
+19
+0 689	2.9913896	1.2861105	1.1845693	4.1156	74.33	-0.26622	0.01449	0.28071	1128.5697	0.158978	-422.601334	-422.593297	-422.592352	-422.634909	29.963
+O	 1.0070923953	-0.6752546499	 0.0835900535	-0.338191
+C	-0.1245361792	-0.3095186012	 0.0460751239	 0.430281
+O	-1.2560240919	-1.0807654814	-0.0298291865	-0.247529
+C	-2.1155650386	 0.1061164686	-0.0418799519	-0.135398
+C	-0.877566385	 1.0257842721	 0.047411408	 0.142625
+C	-0.7175104346	 1.8927345151	 1.3262026057	-0.279402
+C	 0.014402736	 3.1661760435	 0.8675792535	-0.202759
+C	-0.5216852417	 3.3870935179	-0.5535517539	-0.203335
+C	-0.5408828387	 1.964939664	-1.142709302	-0.285197
+H	-2.691224143	 0.1538681669	-0.9692974438	 0.12118
+H	-2.7807805654	 0.1057758745	 0.8250518594	 0.11986
+H	-1.7137682242	 2.151071906	 1.7034250742	 0.105641
+H	-0.1955328432	 1.3621393525	 2.1266717611	 0.11971
+H	-0.1571777534	 4.0134534156	 1.5369730582	 0.100419
+H	 1.0950184033	 2.9853529012	 0.8333667727	 0.116059
+H	-1.539022316	 3.7956448889	-0.5103067976	 0.099042
+H	 0.0834444043	 4.0787977736	-1.1456162084	 0.103671
+H	-1.239563149	 1.845383933	-1.9750289664	 0.104144
+H	 0.4566463551	 1.7089052892	-1.5163652497	 0.129181
+19
+0 690	3.3539878	1.1103018	0.8795792	4.2137	76.49	-0.2365	-0.01936	0.21714	1321.0375	0.15626	-422.536901	-422.528139	-422.527195	-422.571842	31.199
+O	 1.2275851793	-0.1159083937	-0.0291662477	-0.284952
+C	 0.040535564	-0.0935487757	 0.1071079143	 0.386539
+C	-1.0289937115	-1.1789769388	 0.3167764702	-0.336136
+C	-2.0938649479	-0.1268163967	-0.1164642798	-0.259322
+C	-1.0309382223	 1.0155894784	-0.0143765931	-0.107557
+C	-0.9209869564	 2.0077528973	-1.1558603556	 0.147794
+C	-2.0488006622	 3.0570702299	-1.3107626362	-0.298094
+C	-0.9052505088	 4.0832797542	-1.1830400215	-0.06062
+O	 0.0562422901	 3.0429090908	-0.9092170663	-0.284759
+H	-0.919827357	-2.0860453594	-0.2826400061	 0.129877
+H	-1.1073269075	-1.4668490629	 1.3703739159	 0.133617
+H	-2.4321886327	-0.2816100916	-1.1445286866	 0.113929
+H	-2.9668494968	-0.0266987692	 0.5287525922	 0.111216
+H	-1.1106282251	 1.5632620525	 0.9325089629	 0.102526
+H	-0.6914016604	 1.4743478593	-2.0902115281	 0.075168
+H	-2.5933933598	 3.0471901538	-2.2556992191	 0.111675
+H	-2.7617106517	 3.0680179618	-0.4836164136	 0.109064
+H	-0.6665652337	 4.625996631	-2.1066311532	 0.103557
+H	-0.9775221297	 4.8024204492	-0.3592527885	 0.106481
+19
+0 691	3.3308792	1.0919844	0.8690731	3.1623	75.69	-0.24127	-0.02524	0.21603	1320.4129	0.156348	-422.535652	-422.526819	-422.525875	-422.571457	31.041
+O	 1.190812606	-0.1330803657	-0.5282051619	-0.298024
+C	 0.0428797904	-0.133462435	-0.1882503788	 0.391097
+C	-0.9706179824	-1.2302348169	 0.1735518531	-0.336224
+C	-2.0962074128	-0.176904106	-0.064192203	-0.263385
+C	-1.0323400626	 0.969934556	-0.1127721983	-0.105982
+C	-1.0499482576	 1.9983150244	-1.2270782041	-0.039871
+C	 0.0704928049	 3.0646810985	-1.1851618766	-0.079506
+O	-0.8850752209	 4.1270697778	-0.9781680631	-0.272548
+C	-1.9944248111	 3.2125089032	-1.0561145421	-0.088148
+H	-0.9548433084	-2.1262197601	-0.4515535529	 0.131934
+H	-0.8755515989	-1.5365386265	 1.2205332947	 0.135245
+H	-2.5935048684	-0.3146225743	-1.0275652427	 0.114717
+H	-2.8540971153	-0.0962534522	 0.7154091281	 0.112807
+H	-0.9610529956	 1.474255008	 0.8606602899	 0.105534
+H	-1.1436498158	 1.4993542261	-2.195505379	 0.079732
+H	 0.7779453778	 2.9745493699	-0.3527633476	 0.110736
+H	 0.6345593028	 3.1928460171	-2.1164192633	 0.105768
+H	-2.5995490936	 3.2176364613	-0.1396595976	 0.096751
+H	-2.6474403087	 3.4281213643	-1.9115169248	 0.099367
+19
+0 692	3.3136783	1.0998128	0.8714672	1.0798	76.81	-0.252	-0.03081	0.22119	1330.6468	0.156361	-422.534765	-422.526176	-422.525232	-422.569047	31.143
+O	 1.2594922923	 0.2787824577	 0.1315218278	-0.273362
+C	 0.0691154352	 0.2188168622	 0.0888471571	 0.333901
+C	-1.0989298697	 1.2100050299	 0.1642968133	-0.191155
+O	-2.0230186834	 0.1068547575	 0.0867626227	-0.294056
+C	-0.9799323422	-0.9003159159	-0.0240296206	-0.013994
+C	-1.006311791	-1.9437423824	 1.0711612457	 0.043108
+C	 0.0581966946	-3.0773342318	 1.0184112227	-0.230854
+C	-1.0414661949	-4.0740706639	 1.4760138532	-0.211896
+C	-2.1124997837	-3.0376567875	 1.0387321211	-0.232756
+H	-1.181615956	 1.778797928	 1.0991358401	 0.133813
+H	-1.1769482247	 1.8991824305	-0.6867935732	 0.13159
+H	-0.9965424173	-1.3789835751	-1.0151115554	 0.098809
+H	-0.9923673971	-1.444319755	 2.0457184659	 0.07536
+H	 0.3801243557	-3.2740754873	-0.0092625402	 0.105248
+H	 0.9474608799	-2.961419688	 1.6406416673	 0.110173
+H	-1.0631966031	-5.0563500628	 0.9990461082	 0.100488
+H	-1.0332481921	-4.2164473398	 2.5602730132	 0.106159
+H	-2.4601730954	-3.2194188754	 0.0166890321	 0.10314
+H	-2.9834398073	-2.8910977811	 1.6802865791	 0.106285
+19
+0 693	3.4356087	1.072922	0.8618282	4.009	75.41	-0.26705	0.01103	0.27808	1334.5059	0.157907	-422.568864	-422.560515	-422.559571	-422.602783	30.429
+O	 1.2265443431	 0.2335348896	 0.0734140836	-0.32525
+C	 0.0406181994	 0.1550638266	 0.0772409862	 0.454693
+O	-0.8690124195	 1.1771214179	 0.2012896052	-0.240497
+C	-1.9984262168	 0.2461589765	 0.1502526105	-0.100604
+C	-1.0285578351	-0.9433305964	-0.0074811176	-0.217703
+C	-0.9803323585	-2.0074887883	 1.0739339351	 0.043066
+C	 0.1398621432	-3.0841786349	 1.0067844877	-0.223036
+C	-0.8978847788	-4.1339631425	 1.4882368698	-0.212403
+C	-2.0271154588	-3.1596806794	 1.0550898322	-0.241164
+H	-2.5643426149	 0.2777416062	 1.0843198334	 0.124213
+H	-2.6463416486	 0.4702511715	-0.6992624434	 0.124927
+H	-1.0573130778	-1.4035053206	-1.0004315025	 0.106546
+H	-0.9735345252	-1.5262507722	 2.0591833211	 0.079029
+H	 0.4507387116	-3.2675869715	-0.0264785461	 0.106107
+H	 1.0338727128	-2.9196003468	 1.6106945421	 0.11344
+H	-0.8755242883	-5.1206772728	 1.0210213952	 0.101733
+H	-0.8702789866	-4.2642406854	 2.5736888635	 0.107106
+H	-2.3681424989	-3.3677279833	 0.0353383115	 0.099944
+H	-2.9031175922	-3.0632688643	 1.7010829925	 0.099853
+19
+0 694	3.7888923	0.904338	0.7763889	1.6744	76.53	-0.23929	-0.01892	0.22037	1456.6979	0.155588	-422.538294	-422.529328	-422.528384	-422.573318	32.086
+O	 1.2287326603	-0.1650847571	 0.3896469119	-0.299929
+C	 0.063722572	-0.1262305272	 0.1169338611	 0.38436
+C	-1.0040038995	-1.1870646133	-0.1959045254	-0.34047
+C	-2.0806486048	-0.0989458074	 0.1004600206	-0.234334
+C	-0.9781766314	 1.009495337	 0.1070878198	-0.094696
+C	-0.9160412181	 2.0310056998	 1.2408859102	-0.24328
+C	-2.0415037939	 3.0350916928	 1.1815657472	 0.097044
+C	-2.6862950626	 3.5688647631	 2.386749025	-0.182336
+O	-3.3331700284	 2.5721731162	 1.5921513552	-0.233647
+H	-0.9698408415	-1.4963231285	-1.2459326107	 0.131567
+H	-0.9840801828	-2.0840139754	 0.4280661398	 0.129541
+H	-2.8690525828	 0.0159772894	-0.643430809	 0.111851
+H	-2.5429088606	-0.2175918827	 1.0820252884	 0.125078
+H	-0.9372554015	 1.5210996392	-0.8643108433	 0.100134
+H	-0.9492309189	 1.5137053839	 2.2068396645	 0.105921
+H	 0.045221837	 2.5578640224	 1.1930848873	 0.120828
+H	-2.0673506076	 3.6527336735	 0.2809478209	 0.091341
+H	-2.3464365764	 3.2368642973	 3.3671383278	 0.115055
+H	-3.1467433486	 4.555588887	 2.3660515687	 0.115973
+19
+0 695	3.4182288	1.0999518	0.8976194	2.4478	77.05	-0.22862	-0.02561	0.20301	1321.8136	0.155405	-422.528022	-422.519222	-422.518277	-422.562253	32.383
+O	 0.7696084011	 1.0891117145	 0.0194485251	-0.294068
+C	-0.240757547	 0.4571696984	 0.1292409334	 0.37
+C	-0.5536824651	-1.0376522763	 0.328100132	-0.33727
+C	-1.9284860307	-0.7623487498	-0.3500748665	-0.271243
+C	-1.7418471861	 0.7651268901	-0.1260537715	 0.055909
+O	-2.0951462945	 1.593923845	-1.1936566972	-0.253188
+C	-2.3038324985	 2.9376525802	-0.8503318787	 0.118589
+C	-1.8799937228	 3.9493596399	-1.8644063302	-0.283842
+C	-1.1233662115	 3.8242529047	-0.5571882131	-0.294811
+H	 0.1317745299	-1.7368785617	-0.154212686	 0.135008
+H	-0.6363733418	-1.2992512194	 1.3876778259	 0.132848
+H	-1.9081053537	-0.9880238689	-1.4182328613	 0.130958
+H	-2.8106283999	-1.2144154903	 0.1029963544	 0.112656
+H	-2.2172470066	 1.0834258235	 0.814950134	 0.091958
+H	-3.228389021	 3.1042716181	-0.2967410826	 0.084688
+H	-1.3971656011	 3.5611256268	-2.7536715921	 0.1277
+H	-2.5133549616	 4.8137526627	-2.0284057497	 0.112521
+H	-0.1476688813	 3.3534270687	-0.583002425	 0.151983
+H	-1.2425256177	 4.6028582638	 0.1886959989	 0.109606
+19
+0 696	3.8708471	0.9122685	0.7903469	1.1309	76.75	-0.25338	-0.03143	0.22194999999999998	1450.8031	0.15561	-422.531871	-422.522964	-422.52202	-422.566624	32.124
+O	 1.312938578	-0.1277426059	 0.0164145347	-0.273559
+C	 0.1209825995	-0.0993404239	-0.0078833472	 0.331961
+C	-1.0176119321	-1.1262642673	-0.0365155452	-0.189857
+O	-1.9728471295	-0.0490500662	 0.0278336693	-0.288093
+C	-0.958892088	 0.9929564095	 0.0180334446	 0.019687
+C	-0.9938584831	 1.9172212673	 1.2298582286	-0.231435
+C	-2.1879141717	 2.8485894826	 1.2312823417	 0.025457
+C	-3.5354602904	 2.3547728365	 1.6928693398	-0.241332
+C	-2.76665193	 3.3432058027	 2.5333354124	-0.28226
+H	-1.089272982	-1.7117332267	-0.9624741266	 0.132269
+H	-1.0703086651	-1.8036558571	 0.8251713589	 0.133604
+H	-1.0019489056	 1.5739086176	-0.9153950004	 0.104821
+H	-0.99468529	 1.304827427	 2.139804829	 0.100954
+H	-0.0578814567	 2.4915510921	 1.2331880198	 0.118051
+H	-2.1968586114	 3.5573322137	 0.4064028043	 0.083096
+H	-4.4179796995	 2.7013111097	 1.1669985368	 0.111558
+H	-3.5982740918	 1.3281479947	 2.0347588971	 0.121803
+H	-3.1210182471	 4.3668835366	 2.5815031869	 0.11241
+H	-2.3164661134	 2.9877772972	 3.4546570053	 0.110866
+19
+0 697	3.974939	0.8268504	0.7487478	4.203	75.68	-0.26875	0.01216	0.28091	1527.9522	0.1572	-422.566312	-422.557607	-422.556663	-422.600912	31.398
+O	 1.2859479317	-0.0843339945	 0.0255299651	-0.327182
+C	 0.0984468134	-0.0440570633	 0.0498239512	 0.449626
+O	-0.7776430423	-1.0998742724	 0.123446817	-0.239055
+C	-1.9371159543	-0.2073419532	 0.057921796	-0.090989
+C	-1.0042064372	 1.0194894815	-0.0038996577	-0.188357
+C	-1.0283212241	 1.9105449778	-1.2463185122	-0.238894
+C	-2.2216281873	 2.8427172043	-1.28032855	 0.029533
+C	-2.1832717704	 4.1535539403	-0.5331828674	-0.257922
+C	-2.1540587054	 4.1402216055	-2.0424951823	-0.276494
+H	-2.5225591725	-0.4063133364	-0.8432837565	 0.123341
+H	-2.5572412294	-0.3132975287	 0.9499234811	 0.126188
+H	-1.0259961432	 1.6288081227	 0.9043356453	 0.11629
+H	-0.1010984045	 2.4956880555	-1.2671326159	 0.119507
+H	-1.0149642572	 1.2807202485	-2.1457677193	 0.109258
+H	-3.1850596227	 2.3379508605	-1.295898964	 0.083191
+H	-3.0845158196	 4.4960902151	-0.0371789576	 0.114675
+H	-1.265991118	 4.4140408554	-0.0144244834	 0.115069
+H	-3.0364396525	 4.4709219621	-2.5787155491	 0.115545
+H	-1.2182703144	 4.3904338395	-2.5316570004	 0.116668
+19
+0 698	3.5955827	1.2144189	1.0531576	4.5671	75.63	-0.25667	0.01521	0.27188	1171.7487	0.158276	-422.588416	-422.580302	-422.579358	-422.62131	30.934
+O	 0.8808762666	 0.0161329674	-0.8683594581	-0.323793
+C	-0.0923079805	 0.007117282	-0.1648294905	 0.406685
+C	-0.8824902356	-1.2662287349	 0.1205794224	-0.328222
+C	-1.7861298381	-1.2175065452	 1.3581511871	-0.30601
+C	-2.5219530857	 0.1036775933	 1.3584559214	 0.34917
+C	-3.8077798439	 0.2395723745	 0.5788005478	-0.300802
+C	-3.8249572331	 0.2760205261	 2.0892301573	-0.332317
+C	-1.5477743361	 1.2511036734	 1.3697601027	-0.127538
+O	-0.5541895119	 1.1836405965	 0.3285893083	-0.229421
+H	-1.4962771142	-1.4295428981	-0.7745632728	 0.14105
+H	-0.1615635357	-2.0859007861	 0.1548853031	 0.13484
+H	-2.4811681131	-2.0633687725	 1.3560081235	 0.103313
+H	-1.1825538156	-1.304187711	 2.2714082016	 0.108065
+H	-3.9915236139	 1.1644709047	 0.0424930769	 0.121597
+H	-4.1997444648	-0.644490393	 0.086619953	 0.117057
+H	-4.0230573875	 1.2263706613	 2.5746180895	 0.117532
+H	-4.2232746594	-0.5825358785	 2.6193937336	 0.118392
+H	-2.0511711061	 2.2113580841	 1.2273640847	 0.116757
+H	-1.0152965814	 1.2881432663	 2.3301422286	 0.113644
+19
+0 699	3.6192232	1.2323553	1.0577901	2.8876	75.66	-0.23246	-0.02087	0.21159	1163.1621	0.157213	-422.564661	-422.556534	-422.55559	-422.597352	31.426
+O	 1.1229544958	 0.0221143252	 0.2591006796	-0.299108
+C	-0.061865938	-0.0156380977	 0.0277039959	 0.378769
+C	-0.8542181215	-1.3105961135	-0.0660758045	-0.314058
+C	-1.969288948	-1.2393442583	-1.1271882283	-0.275663
+C	-2.7207469908	 0.0671200588	-1.0006178994	 0.454074
+C	-4.0881715119	 0.2531638454	-1.5669905621	-0.333453
+C	-3.8970483104	 0.2077241561	-0.0607716501	-0.327976
+O	-1.8747786808	 1.1809793219	-1.141137384	-0.288897
+C	-0.888705105	 1.2634852046	-0.1216681763	-0.18901
+H	-0.1612703014	-2.1392134219	-0.2301689935	 0.124185
+H	-1.3125563533	-1.4578023822	 0.9229405685	 0.128236
+H	-1.5299632991	-1.2946030046	-2.1304587249	 0.11725
+H	-2.6502818425	-2.0898212064	-1.0227598502	 0.103468
+H	-4.3004711434	 1.2189840456	-2.0104281855	 0.12941
+H	-4.5616549467	-0.5901500295	-2.0577758135	 0.115657
+H	-3.9953062657	 1.1449610416	 0.4753626365	 0.121908
+H	-4.2433282381	-0.66643049	 0.4805933423	 0.113403
+H	-0.224300155	 2.0916315208	-0.3742878342	 0.133708
+H	-1.3555505144	 1.4763057343	 0.856658994	 0.108097
+19
+0 700	3.5793373	1.2144493	1.0389066	2.8383	75.28	-0.23825	-0.01452	0.22372999999999998	1169.698	0.15783	-422.577875	-422.569798	-422.568854	-422.610633	30.98
+O	 1.1254425682	 0.0092577874	-0.2907221315	-0.304857
+C	-0.0677229809	 0.0114305941	-0.0972551747	 0.38667
+C	-0.8822744464	-1.270577855	 0.0332011204	-0.298341
+C	-1.7820538366	-1.2544523062	 1.287909018	-0.285224
+C	-2.6044881984	 0.0179297716	 1.3361196663	 0.436776
+C	-3.9591620263	 0.0210264546	 1.8982103067	-0.249557
+O	-3.7625273515	 0.0181193156	 0.4802854969	-0.282729
+C	-1.778182715	 1.2876151828	 1.2832339359	-0.285224
+C	-0.87836532	 1.2963851106	 0.0284803253	-0.298341
+H	-1.5282328373	-1.3455041847	-0.8519012395	 0.133231
+H	-0.2004328686	-2.1234965478	 0.0301818001	 0.11901
+H	-2.4427104942	-2.1259707873	 1.287918378	 0.111974
+H	-1.1597777574	-1.3144682258	 2.1897925433	 0.112294
+H	-4.3747442279	-0.8964026984	 2.3137112921	 0.113904
+H	-4.3719457883	 0.9412391482	 2.31033171	 0.113904
+H	-2.4361820171	 2.1611358513	 1.2800339068	 0.111974
+H	-1.1557217669	 1.349052515	 2.1848941509	 0.112294
+H	-1.5240974024	 1.3700224928	-0.8568953029	 0.133231
+H	-0.1939291828	 2.1472062862	 0.0223277479	 0.11901
+19
+0 701	3.7079246	1.1498359	1.0520878	4.5064	74.75	-0.26162	0.01473	0.27635000000000004	1189.3059	0.158445	-422.594556	-422.586652	-422.585708	-422.627283	30.167
+O	 1.2484230243	-0.235798711	-0.8587452646	-0.334694
+C	 0.1138762075	-0.1725475922	-0.4871195363	 0.43259
+C	-0.7744016909	-1.2812510536	 0.0701603738	-0.431034
+C	-2.1909964474	-0.7172063361	-0.0719976116	 0.323162
+C	-2.9594318924	-1.241165203	-1.3274109178	-0.264395
+C	-3.7582509107	-2.1950826572	-0.3996142991	-0.209397
+C	-3.2993973861	-1.3435307707	 0.8154363266	-0.287367
+C	-1.913850743	 0.7853528813	 0.0328517106	-0.147235
+O	-0.59465679	 0.9919738654	-0.4991290094	-0.218964
+H	-0.5892955621	-2.2203552876	-0.4535515388	 0.137437
+H	-0.5024183807	-1.4285619006	 1.1234527408	 0.134017
+H	-3.5955275462	-0.4649110542	-1.76291583	 0.10358
+H	-2.3622562508	-1.6880519716	-2.1263064461	 0.109262
+H	-4.8324665097	-2.278226979	-0.5747615417	 0.105087
+H	-3.3334507533	-3.201944611	-0.3780454205	 0.110351
+H	-4.0523496267	-0.6015441812	 1.1014661321	 0.103888
+H	-2.973737057	-1.8697450038	 1.7167497806	 0.102117
+H	-2.6093041025	 1.3976509921	-0.5468385344	 0.120223
+H	-1.9316116021	 1.1260307041	 1.0769653557	 0.111373
+19
+0 702	3.8012556	1.1704066	1.0694823	4.2905	75.27	-0.26092	0.01621	0.27713	1179.4742	0.158247	-422.602108	-422.594226	-422.593281	-422.634701	30.339
+O	 1.3451265631	 0.1151146108	 0.1422497707	-0.335321
+C	 0.1497023411	 0.1026290036	 0.110248163	 0.412824
+C	-0.8099707465	 1.2540482085	-0.1738917442	-0.362924
+C	-2.1516627216	 0.7225858484	 0.3342157791	-0.286944
+C	-1.9871291712	-0.7987568644	 0.1793928763	 0.439625
+C	-2.6269705202	-1.4349368627	-1.085033102	-0.280259
+C	-3.7941661381	-1.9295658037	-0.1869498131	-0.21527
+C	-2.886326009	-1.6971357537	 1.0537669402	-0.285706
+O	-0.5765324643	-1.0294272377	 0.3307707333	-0.260368
+H	-0.460002781	 2.1688423304	 0.3055392519	 0.139319
+H	-0.8141551246	 1.4294745838	-1.2558395182	 0.14031
+H	-2.2810909412	 0.9717782078	 1.3928224314	 0.116488
+H	-3.0184770552	 1.1041304027	-0.2092833138	 0.114626
+H	-2.859304606	-0.7744607907	-1.9246268107	 0.098672
+H	-2.0095574095	-2.2630119296	-1.4413067256	 0.121612
+H	-4.6504304447	-1.2508271213	-0.2065699538	 0.108139
+H	-4.1529272472	-2.9456528524	-0.3561658496	 0.110288
+H	-3.3276010171	-1.2435743093	 1.9448325723	 0.100947
+H	-2.349787187	-2.6041836406	 1.3421430529	 0.12394
+19
+0 703	3.6660947	1.1627039	1.0759826	3.7589	74.97	-0.23487	-0.0145	0.22036999999999998	1177.5009	0.156963	-422.576481	-422.568246	-422.567302	-422.609992	30.925
+O	 1.0322173662	 0.0992961094	 0.8086808186	-0.311947
+C	-0.04583264	 0.057004336	 0.2777214123	 0.406134
+C	-0.7975209104	 1.2436634376	-0.339499248	-0.318773
+C	-2.2223796477	 0.7206499622	-0.5719470871	-0.272907
+C	-2.0228348998	-0.7763134773	-0.8636995389	 0.442077
+C	-3.2628242039	-1.6728877685	-1.0605620797	-0.363762
+C	-2.7599879004	-1.8244599051	-2.5088681891	-0.067108
+O	-1.6150769627	-0.986855476	-2.2481627157	-0.325997
+C	-0.9175552888	-1.1951213781	 0.1057089384	-0.375452
+H	-0.7180673907	 2.132831589	 0.2893938621	 0.125962
+H	-0.3095565338	 1.4714244993	-1.2952864546	 0.147787
+H	-2.8279252969	 0.8322505659	 0.3362231474	 0.104462
+H	-2.7477458311	 1.2152919591	-1.3919259173	 0.110079
+H	-3.2693472734	-2.5893707827	-0.4677670434	 0.112608
+H	-4.221491174	-1.1632362473	-0.9440194047	 0.111212
+H	-2.4650673015	-2.8369360265	-2.8089480087	 0.106337
+H	-3.4086150412	-1.4016321696	-3.2853886134	 0.104824
+H	-1.34147581	-1.4456836637	 1.0874828888	 0.129245
+H	-0.3363054502	-2.052633994	-0.2389579872	 0.135219
+19
+0 704	3.7326768	1.0988235	1.0169356	1.7902	74.5	-0.24251	-0.02233	0.22018000000000001	1208.1482	0.15721	-422.567812	-422.559594	-422.55865	-422.601523	30.591
+O	 0.989726713	 0.0567685398	 0.8790204954	-0.308092
+C	-0.0673874249	 0.0351525469	 0.3063826651	 0.406241
+C	-0.7946648938	 1.2456655386	-0.2945568533	-0.32253
+C	-2.197057971	 0.7243627133	-0.6398905432	-0.291825
+C	-1.9824244756	-0.7667798622	-0.9691758963	 0.293033
+C	-1.7077017594	-1.0916395804	-2.4629844928	-0.114807
+O	-2.9497756325	-1.8087024302	-2.5827998162	-0.26904
+C	-3.2443709008	-1.6288945902	-1.183951999	-0.136507
+C	-0.9274370824	-1.2098091601	 0.0472568412	-0.406118
+H	-0.7665618703	 2.0999539384	 0.385471669	 0.131988
+H	-0.2442745651	 1.539789975	-1.1982752384	 0.135267
+H	-2.8548736825	 0.8080479449	 0.2345064654	 0.107535
+H	-2.6779240542	 1.2652033031	-1.4593182191	 0.112238
+H	-1.661454306	-0.2319917009	-3.1445502294	 0.099578
+H	-0.8404595345	-1.7396182646	-2.6496265055	 0.099923
+H	-4.2025232513	-1.1161668171	-1.0270030413	 0.099974
+H	-3.258037744	-2.5829758936	-0.6398593716	 0.098776
+H	-1.4016486534	-1.4804419736	 1.0015184728	 0.132488
+H	-0.3158482012	-2.062554537	-0.2578662929	 0.131878
+19
+0 705	3.6339833	1.1722453	1.0671732	2.0781	75.31	-0.24175	-0.02395	0.2178	1181.097	0.15691	-422.570938	-422.562837	-422.561893	-422.603919	30.942
+O	 1.2376738602	-0.1112838541	 0.6492370907	-0.297089
+C	 0.1113795426	-0.0592957776	 0.2346995872	 0.367608
+C	-0.7257098515	 1.2082740682	 0.0381758942	-0.194121
+O	-1.9399165878	 0.7897279904	-0.5522814182	-0.297539
+C	-2.1790996817	-0.5785445715	-0.2153599132	 0.432401
+C	-3.0593991373	-0.8539873841	 1.0442365305	-0.282195
+C	-3.8404602536	-1.9028228698	 0.2064481871	-0.21418
+C	-3.2632611743	-1.2498813997	-1.0803278347	-0.287201
+C	-0.7877846998	-1.2187112731	-0.1920103942	-0.400073
+H	-0.8790646377	 1.6907792515	 1.0169974614	 0.123018
+H	-0.2214263764	 1.925366685	-0.6174113552	 0.137083
+H	-2.5624131523	-1.1882605263	 1.9588478434	 0.098005
+H	-3.671250422	 0.0239376257	 1.266924363	 0.112909
+H	-3.4640737364	-2.9176450325	 0.3588075337	 0.106887
+H	-4.9261217629	-1.9165156029	 0.3137846517	 0.106802
+H	-2.9284105676	-1.9002649606	-1.8922922346	 0.098132
+H	-3.9339639246	-0.4876783826	-1.4855035122	 0.11788
+H	-0.6756863179	-2.0788152374	 0.4702640857	 0.135108
+H	-0.4851126892	-1.5237242686	-1.2021517563	 0.136565
+19
+0 706	2.8220035	1.5890737	1.2422593	4.2727	74.96	-0.25843	0.00941	0.26783999999999997	1044.6226	0.159028	-422.57875	-422.57101	-422.570066	-422.611694	29.567
+O	 0.230463752	 1.087794577	 3.7540078374	-0.305929
+C	 0.336211517	 1.198089327	 2.5626181752	 0.383087
+C	-0.3651894606	 0.1983810453	 1.6370360593	-0.334879
+C	-0.0593274832	 0.1613559236	 0.145594051	-0.008308
+C	 1.4618426982	 0.1192369517	-0.1609871388	-0.240209
+C	 1.4124868548	 1.661356977	-0.3308450287	-0.020441
+C	-0.1204237158	 1.5495775571	-0.5527912446	-0.240175
+C	 1.7893719471	 2.4403137376	 0.9180585322	-0.077944
+O	 0.9468245793	 2.3117692716	 2.0737471513	-0.236385
+H	-0.1871234506	-0.7845797634	 2.0850405318	 0.137216
+H	-1.4337496729	 0.401849154	 1.788588413	 0.140448
+H	-0.6635406826	-0.6276884834	-0.3097406243	 0.074415
+H	 2.1218696491	-0.2865745922	 0.6131360239	 0.099564
+H	 1.6803246138	-0.3857818496	-1.1051279155	 0.103496
+H	 2.0034893917	 2.0722653939	-1.1553594721	 0.077205
+H	-0.7526914484	 2.3169859047	-0.098180491	 0.10669
+H	-0.3723477516	 1.4618382571	-1.6121850735	 0.10336
+H	 2.8129702676	 2.1842375392	 1.2233808703	 0.115617
+H	 1.7655664052	 3.5132152418	 0.7043898032	 0.123171
+19
+0 707	2.6153821	1.6996201	1.34217	1.9127	73.9	-0.2392	-0.01565	0.22355	1005.7976	0.159185	-422.576134	-422.568634	-422.56769	-422.608058	29.49
+O	 0.1079076588	 1.043520004	 3.5124872149	-0.310195
+C	-0.2556385335	 1.1426556196	 2.3625115573	 0.37057
+C	-1.3711346324	 0.2700730181	 1.7952975217	-0.276187
+C	-0.8782372982	-0.8499093432	 0.846351335	-0.23511
+C	 0.0669669119	-0.3480471912	-0.2510170298	 0.116652
+C	 1.459116801	 0.1285391734	 0.2197585867	-0.285222
+C	 0.8446348239	 1.5372979406	 0.0907154735	 0.102998
+C	 0.3841493623	 2.1576096892	 1.4123613714	-0.301892
+O	-0.2711489327	 1.0040808114	-0.6677242582	-0.295124
+H	-1.9062700533	-0.1729159404	 2.6382425174	 0.115891
+H	-2.0576297523	 0.9095846824	 1.2320345351	 0.124074
+H	-0.3668815454	-1.6338826658	 1.4179407579	 0.115598
+H	-1.7589336051	-1.314741661	 0.3907286762	 0.111881
+H	 0.0665911728	-1.0330462099	-1.104942835	 0.081604
+H	 1.7964182095	-0.1833847061	 1.2105984716	 0.121066
+H	 2.2440311687	-0.0680382059	-0.5116966408	 0.112266
+H	 1.4041891424	 2.271590846	-0.4973155654	 0.086198
+H	 1.2259721074	 2.6229337588	 1.933637377	 0.118906
+H	-0.3532736857	 2.9388356499	 1.1848224635	 0.126027
+19
+0 708	2.7814813	1.6245895	1.2734026	4.4261	74.63	-0.25807	0.00847	0.26654	1031.2961	0.159407	-422.583226	-422.575788	-422.574843	-422.615113	29.444
+O	 1.9140633119	 0.049007475	 3.410849614	-0.310495
+C	 1.7793057612	-0.0048726521	 2.218134049	 0.387656
+C	 1.9029935547	-1.3194634688	 1.4506315333	-0.328311
+C	 0.8232867956	-1.714019233	 0.4243076713	-0.223693
+C	 0.4555624399	-0.6201561302	-0.5847424897	-0.008224
+C	-0.288592945	 0.5740949004	 0.0800496417	-0.244502
+C	 1.0760407483	 1.2873657696	 0.2279404638	 0.133871
+C	 1.6276974603	 0.3606033256	-0.8879615323	-0.258463
+O	 1.6439697292	 1.1657793047	 1.5354653741	-0.239461
+H	 2.8773884486	-1.279006413	 0.9482478189	 0.132916
+H	 1.9829768726	-2.090069829	 2.2190754515	 0.133381
+H	 1.1956182598	-2.5967898285	-0.1078056147	 0.106961
+H	-0.0855062942	-2.0320785072	 0.9496819751	 0.112729
+H	-0.0396058467	-1.0648810319	-1.4514046135	 0.072305
+H	-0.939368849	 1.1014363544	-0.6220265252	 0.108088
+H	-0.8414512671	 0.3863296915	 1.0049993384	 0.112308
+H	 1.1115835608	 2.3603100955	 0.0377779705	 0.09621
+H	 1.5059978262	 0.8464928404	-1.8597363331	 0.109205
+H	 2.6576198629	 0.0085527366	-0.8059340633	 0.107517
+19
+0 709	2.6771805	1.655137	1.2894094	3.1957	74.47	-0.23278	-0.0242	0.20858	1024.5301	0.158528	-422.557355	-422.54974	-422.548796	-422.589521	29.885
+O	-0.653858689	 1.250390286	 3.6489900703	-0.293613
+C	-0.4118794798	 1.1462551212	 2.4691586446	 0.359405
+C	-1.4944146327	 0.623234625	 1.5060599153	-0.163969
+O	-1.1914968108	-0.5603969873	 0.7914470652	-0.263698
+C	 0.0050766073	-0.6176113384	 0.0340669694	 0.135308
+C	 1.2962814066	-0.7255548675	 0.895562203	-0.246438
+C	 1.4888301906	 0.8105451107	 0.72211383	-0.019544
+C	 0.5472652753	 0.731056319	-0.5149583846	-0.26555
+C	 0.926463238	 1.6178525258	 1.8958212572	-0.313549
+H	-2.3729349884	 0.3914610506	 2.110653539	 0.131877
+H	-1.7565332226	 1.4454557122	 0.8189354262	 0.101683
+H	-0.1658735755	-1.4144791644	-0.6930681214	 0.085811
+H	 1.1718384284	-1.1157998396	 1.9094979225	 0.112454
+H	 2.0720531232	-1.3023721533	 0.3850385515	 0.102968
+H	 2.5069985054	 1.149853109	 0.5168641713	 0.075628
+H	-0.1577978622	 1.5467179073	-0.6933390996	 0.102436
+H	 1.1116178318	 0.5617245113	-1.4354359485	 0.107368
+H	 1.6317122509	 1.6379069503	 2.7318901758	 0.127799
+H	 0.7778676237	 2.663032032	 1.5842208628	 0.123624
+19
+0 710	3.2164804	1.3479319	1.0424267	4.495	75.31	-0.2559	0.01571	0.27161	1150.4911	0.159071	-422.579322	-422.571448	-422.570504	-422.612073	30.372
+O	-2.6132034028	-1.216200648	 1.3854522708	-0.314359
+C	-1.5521928836	-1.1853097807	 0.8205573008	 0.379213
+C	-0.4501317007	-2.1649330128	 1.260207106	-0.302729
+C	 0.9886035721	-2.0885986831	 0.7305464419	-0.263029
+C	 1.0529776897	-2.2652413351	-0.7731033017	 0.012077
+C	 1.9087869155	-1.3755472036	-1.6341746835	-0.321152
+C	 0.4074526869	-1.191457399	-1.6152105435	-0.025063
+C	-0.1818866764	-0.0165047653	-0.883683143	-0.092721
+O	-1.4184349255	-0.3162988384	-0.2126864851	-0.226408
+H	-0.4598429565	-2.1148539243	 2.3533529486	 0.137509
+H	-0.867424744	-3.1505478271	 1.0166197691	 0.141638
+H	 1.4589726031	-1.1467237823	 1.030468827	 0.10602
+H	 1.5715418668	-2.8747972829	 1.2240718112	 0.107507
+H	 0.9152400688	-3.2867902957	-1.1166201568	 0.09195
+H	 2.5208289361	-0.6253859654	-1.1424352692	 0.115451
+H	 2.3558302534	-1.7932206529	-2.5289177143	 0.120394
+H	-0.1445808144	-1.5048183475	-2.4956775017	 0.098045
+H	 0.5309475281	 0.4080831982	-0.1699255219	 0.11026
+H	-0.4556445569	 0.7812884458	-1.5787125347	 0.125397
+19
+0 711	3.1643565	1.3709719	1.0448227	3.067	75.69	-0.23398	-0.01851	0.21547	1145.9041	0.158004	-422.557379	-422.549414	-422.54847	-422.590124	30.745
+O	 1.175757105	 3.9550325486	-1.8873526536	-0.2954
+C	 0.8681947555	 2.9408323084	-1.3028630434	 0.369585
+C	 0.5988216372	 1.6499468435	-2.0723639302	-0.29184
+C	 1.1305211741	 0.3462025911	-1.4439145209	-0.23822
+C	 0.3166685051	-0.0926661396	-0.2429031824	-0.037694
+C	 1.0022945423	-0.5499079257	 1.0295263882	-0.337157
+C	 0.3487181032	 0.7942792325	 0.9774119233	 0.117589
+O	 1.2032307506	 1.8974982068	 0.9485342177	-0.240462
+C	 0.6860951952	 3.000447535	 0.2239259122	-0.172546
+H	-0.4927637218	 1.5704625003	-2.1862385533	 0.119658
+H	 1.0076930728	 1.8066965353	-3.0744250318	 0.12211
+H	 1.1105113188	-0.4407627588	-2.2056224235	 0.107662
+H	 2.1800489997	 0.4768468518	-1.1634550499	 0.115547
+H	-0.638615024	-0.5548715599	-0.4790337213	 0.087523
+H	 0.5364484519	-1.3236975603	 1.6289984617	 0.116975
+H	 2.0868668169	-0.5610859687	 1.0342296027	 0.128362
+H	-0.5711628651	 0.9591020704	 1.5400210694	 0.086359
+H	-0.3880963054	 3.1383825576	 0.4345221526	 0.108142
+H	 1.2132252382	 3.8925064317	 0.5691001023	 0.133809
+19
+0 712	2.9428901	1.3710511	1.0458821	2.3822	74.6	-0.24283	-0.01658	0.22624999999999998	1144.2565	0.158429	-422.569507	-422.561543	-422.560599	-422.602214	30.522
+O	-2.2140500262	-1.925885199	-0.9044604201	-0.297896
+C	-1.1575836732	-1.5008246383	-0.4937642704	 0.38296
+C	-0.9668026733	-1.2119380933	 0.9944765502	-0.289126
+C	-0.6989194502	 0.2804640911	 1.3076392472	-0.255761
+C	 0.7319094079	 0.6836535865	 1.0146411197	 0.062817
+O	 0.9637250939	 1.9023099677	 0.3019774748	-0.256731
+C	 1.2700318565	 0.6681574603	-0.3536037402	 0.062821
+C	 0.4189785811	 0.2482521045	-1.5347350283	-0.255764
+C	-0.0019605181	-1.2397434037	-1.4586915963	-0.289124
+H	-1.8787291099	-1.5471391996	 1.4936630085	 0.123322
+H	-0.1319272582	-1.8154461102	 1.3756849462	 0.110741
+H	-1.3809962295	 0.9170389384	 0.7362590331	 0.126727
+H	-0.9173210548	 0.4611461413	 2.364967428	 0.114135
+H	 1.4362064129	 0.5113688889	 1.830550473	 0.092977
+H	 2.3400771961	 0.4853410298	-0.4676500124	 0.092977
+H	-0.4646555615	 0.8906310547	-1.5936532002	 0.126727
+H	 0.9806800336	 0.4064417318	-2.4608856576	 0.114135
+H	-0.3321388807	-1.5917273834	-2.4386131064	 0.123322
+H	 0.8642621036	-1.8441365374	-1.1571522387	 0.11074
+19
+0 713	2.6362676	1.7192477	1.4190571	2.0086	73.92	-0.2382	-0.01325	0.22494999999999998	980.8149	0.160076	-422.601021	-422.593725	-422.592781	-422.632684	28.835
+O	 1.1807436351	-0.0029959762	-0.1450741025	-0.325422
+C	-0.0230951593	-0.021944568	-0.0445043114	 0.400066
+C	-0.8655422146	 1.2508563407	 0.0444044184	-0.302286
+C	-2.2227917646	 1.1584817014	-0.6918567022	-0.222423
+C	-2.8197210202	-0.250463085	-0.5663181309	 0.112264
+C	-1.8509126107	-1.2861437781	-1.1451323974	-0.245872
+C	-0.8228786607	-1.3216546194	 0.0083414141	-0.128683
+C	-1.783650644	-1.3485184359	 1.2133465053	-0.096874
+O	-2.9440850012	-0.6107433576	 0.8182277417	-0.275909
+H	-1.0631339663	 1.4078943197	 1.1131573392	 0.138407
+H	-0.2605617451	 2.0941116616	-0.2950412038	 0.121647
+H	-2.9181424114	 1.8951153355	-0.278468549	 0.110645
+H	-2.0989634424	 1.3942701255	-1.7558754733	 0.103943
+H	-3.8186036559	-0.2928871692	-1.0097661293	 0.081112
+H	-2.3300633909	-2.2624131028	-1.2654848672	 0.110987
+H	-1.4218240316	-0.9885532007	-2.105294851	 0.113402
+H	-0.1358233304	-2.1681969355	-0.0149425762	 0.08964
+H	-2.065941804	-2.3833746451	 1.4503773518	 0.105448
+H	-1.3563516219	-0.898515181	 2.1173366838	 0.10991
+19
+0 714	2.6085284	1.735298	1.4071352	3.4065	73.6	-0.22677	-0.01603	0.21074	988.524	0.160045	-422.600559	-422.593197	-422.592253	-422.632378	28.984
+O	 1.127873151	-0.0020732831	-0.2767248967	-0.319546
+C	-0.0674137921	-0.0226152967	-0.109355152	 0.408121
+C	-0.9046700405	 1.2390378639	 0.0981169725	-0.318168
+C	-2.3327922572	 1.1220653141	-0.4803867377	-0.21754
+C	-2.8750811532	-0.3034564176	-0.3208692236	 0.096242
+C	-2.9124217539	-0.7996864511	 1.1454274395	-0.233204
+C	-1.5498457252	-1.5235967374	 1.3177100139	-0.248482
+C	-0.8750007873	-1.3228343805	-0.0602903293	-0.010542
+O	-1.9661534494	-1.1974317353	-0.9758801406	-0.26064
+H	-0.9575995773	 1.3878947809	 1.1861655632	 0.128103
+H	-0.3569414344	 2.0942183392	-0.3046307326	 0.127169
+H	-3.0028641547	 1.8473173739	-0.0048050224	 0.099547
+H	-2.3120520373	 1.3515972554	-1.5508507689	 0.116916
+H	-3.8395432384	-0.4029885887	-0.8251498139	 0.08343
+H	-3.0463572572	 0.023524634	 1.8520739219	 0.10565
+H	-3.7422930345	-1.4939611628	 1.2919200387	 0.113035
+H	-0.9491317088	-1.1212389743	 2.1378963686	 0.114357
+H	-1.6894973747	-2.590272451	 1.5051002066	 0.118676
+H	-0.243145445	-2.1528834729	-0.3791758773	 0.096875
+19
+0 715	2.6560232	1.7187514	1.4371298	3.6306	73.8	-0.22655	-0.01448	0.21207	978.1537	0.160078	-422.59855	-422.591284	-422.590339	-422.630135	28.84
+O	 1.1612733681	 0.0264285097	-0.2448080546	-0.318465
+C	-0.0318570098	-0.0069988981	-0.0666936741	 0.405696
+C	-0.9104469823	 1.2295466197	 0.0914992679	-0.306753
+C	-2.2284902689	 1.1170257439	-0.7187821398	-0.226747
+C	-2.8281821033	-0.3035580428	-0.6788330873	-0.029333
+C	-2.9842339786	-0.8161409811	 0.7594979765	-0.078656
+O	-1.6874061193	-1.3038367728	 1.138116468	-0.277269
+C	-0.833733102	-1.3135646766	-0.0123503458	 0.01039
+C	-1.7925847846	-1.3121921056	-1.2122904277	-0.250392
+H	-1.1461071993	 1.3085640868	 1.1599823919	 0.138122
+H	-0.3341431678	 2.1150230072	-0.1846961173	 0.119601
+H	-2.9539083164	 1.8446049061	-0.3387699748	 0.105157
+H	-2.0351052842	 1.3849758154	-1.7642988327	 0.108438
+H	-3.7732233815	-0.332920368	-1.2273627285	 0.07637
+H	-3.2900407333	-0.0341046645	 1.4643237159	 0.103829
+H	-3.7133522756	-1.6352336541	 0.820871313	 0.100836
+H	-0.158605776	-2.1691452692	 0.049415189	 0.093726
+H	-1.3156987194	-0.9973159741	-2.1447120321	 0.115311
+H	-2.2259786857	-2.3060805018	-1.3607206475	 0.110139
+19
+0 716	2.5865705	1.750829	1.4243824	2.914	73.78	-0.2305	-0.01656	0.21394000000000002	980.0546	0.159758	-422.593454	-422.58608	-422.585135	-422.625231	29.088
+O	 1.1331028871	 0.0558404867	 0.050376862	-0.319564
+C	-0.0697431587	-0.0281162785	-0.0156560601	 0.377046
+C	-0.9526409029	 1.2268355849	-0.0212434607	-0.176778
+O	-2.2054226228	 1.0929336692	-0.6755700833	-0.270898
+C	-2.8222260309	-0.1909770188	-0.5770146641	 0.126915
+C	-3.0182858905	-0.6513928659	 0.8854466679	-0.233238
+C	-1.7230431954	-1.4388493209	 1.2378051258	-0.236173
+C	-0.8331879696	-1.3407280555	-0.036519402	-0.106885
+C	-1.8841433232	-1.2539218652	-1.1641822065	-0.246668
+H	-1.089934859	 1.5194070672	 1.0353320498	 0.11593
+H	-0.4076838957	 2.0372905742	-0.5108422341	 0.138195
+H	-3.7636582592	-0.084018292	-1.1195129723	 0.083182
+H	-3.1925934476	 0.2069784168	 1.5389440897	 0.114842
+H	-3.9006108527	-1.2932073108	 0.9584550648	 0.106672
+H	-1.2170447963	-1.052116232	 2.1267803473	 0.114043
+H	-1.9447751143	-2.4919996887	 1.4326179423	 0.111914
+H	-0.1198729449	-2.1614372082	-0.1268321111	 0.08469
+H	-1.4765535962	-0.9516705522	-2.1324438847	 0.114304
+H	-2.3974986072	-2.2143767701	-1.2865854306	 0.102471
+19
+0 717	2.6241682	1.7567025	1.4182864	4.5519	73.92	-0.25484	0.01877	0.27361	981.9371	0.160789	-422.618522	-422.611209	-422.610265	-422.650445	28.498
+O	 1.055048217	 0.0559472319	-0.5315295613	-0.332785
+C	-0.0567544031	-0.0016265233	-0.0823703351	 0.415219
+O	-0.687675771	 1.152052517	 0.266731611	-0.240214
+C	-1.9459773226	 1.1686390426	 0.9708809703	-0.06708
+C	-2.6990871223	-0.1596296732	 0.9499383492	-0.025669
+C	-3.133739263	-0.5624309247	-0.4804194249	-0.213722
+C	-1.9248121076	-1.354999288	-1.0574350084	-0.221643
+C	-0.8494217044	-1.2929928888	 0.0623961694	-0.123479
+C	-1.6999153627	-1.2600264778	 1.3423783433	-0.246105
+H	-1.7281492594	 1.4653521239	 2.0045426739	 0.113147
+H	-2.5353012554	 1.9663493742	 0.5073582397	 0.11755
+H	-3.5474393958	-0.0718271218	 1.6350297141	 0.076527
+H	-4.0276726299	-1.1908140655	-0.4421227924	 0.105066
+H	-3.3850890916	 0.3122145266	-1.0870631088	 0.107235
+H	-2.1914559574	-2.3999872007	-1.2396609175	 0.107365
+H	-1.5575579797	-0.9477867928	-2.002396311	 0.122565
+H	-0.1331996405	-2.1125072578	 0.0047208493	 0.095701
+H	-2.1961209301	-2.2234395677	 1.4993992982	 0.102371
+H	-1.1266825103	-1.022443934	 2.244161731	 0.107952
+19
+0 718	3.527249	1.2840623	0.9920332	4.5806	76.14	-0.25588	0.01627	0.27215	1180.1035	0.159312	-422.576106	-422.568473	-422.567529	-422.60835	29.632
+O	 0.9580956802	 0.0313914085	-0.8255928965	-0.319118
+C	-0.0281241808	-0.0071147134	-0.1423606293	 0.412561
+C	-0.7118008128	-1.3400958135	 0.2173078257	-0.39718
+C	-1.6428435771	-1.1256984629	 1.3886269384	 0.067957
+C	-2.9201523171	-1.8870145973	 1.8329806583	-0.274952
+C	-3.5204143046	-0.4820025272	 2.1835071974	-0.272927
+C	-2.5246568225	 0.0998115847	 1.1453516424	 0.042387
+C	-1.6887416489	 1.3488526158	 1.1810131513	-0.111767
+O	-0.5507741945	 1.1782378505	 0.2914901793	-0.244828
+H	-1.2627189613	-1.6617761699	-0.6758666327	 0.132352
+H	 0.0874719124	-2.0681702283	 0.3777589693	 0.133787
+H	-1.0451630942	-0.936988208	 2.2915370211	 0.083397
+H	-3.444268121	-2.3394276697	 0.9853050531	 0.108828
+H	-2.8294055832	-2.6251042657	 2.6322466812	 0.104404
+H	-4.586555547	-0.3164607663	 2.018660257	 0.105792
+H	-3.2666147211	-0.1893012405	 3.2069807797	 0.109992
+H	-2.979063088	 0.0073232037	 0.1498001103	 0.085814
+H	-2.1937226453	 2.2513407983	 0.8250334725	 0.120024
+H	-1.2982276134	 1.5445712811	 2.1875226516	 0.113473
+19
+0 719	3.0520051	1.4658645	1.204842	4.4968	74.29	-0.25669	0.01665	0.27333999999999997	1070.3927	0.159367	-422.59301	-422.585428	-422.584483	-422.625249	29.502
+O	 1.2048993698	 0.0674232425	 0.2848110254	-0.32662
+C	 0.08834216	-0.0197457261	-0.1472161025	 0.409547
+C	-0.9932620527	 1.0255645981	 0.0660964657	-0.350962
+C	-1.8437348676	 1.2325203114	-1.1954595569	-0.228823
+C	-2.4862178355	-0.0794534773	-1.6408379186	-0.032923
+C	-3.5872179841	-0.6683307622	-0.7052896121	-0.231829
+C	-2.6045009556	-1.778394794	-0.2353166849	-0.251082
+C	-1.5949817919	-1.3193319659	-1.319646649	 0.137407
+O	-0.2454161583	-1.0958186756	-0.9089127647	-0.232144
+H	-1.6251052872	 0.7054579538	 0.9042409814	 0.130895
+H	-0.4904577512	 1.9410132555	 0.3822947348	 0.135667
+H	-2.6116489321	 1.993316255	-1.0167112001	 0.10813
+H	-1.2001259216	 1.6153385904	-1.9960567889	 0.115751
+H	-2.7830187437	-0.014170529	-2.6902345375	 0.078344
+H	-3.9503440212	 0.0062529749	 0.0749446285	 0.103832
+H	-4.4525011241	-1.050995117	-1.2501710344	 0.10953
+H	-2.2228353073	-1.6309504448	 0.7777990601	 0.116311
+H	-2.9499641451	-2.8106850618	-0.3208168808	 0.11073
+H	-1.5081922505	-2.0227467181	-2.1489531752	 0.098239
+19
+0 720	2.8699228	1.4843501	1.2352044	3.8054	74.06	-0.23527	-0.01101	0.22426000000000001	1061.2655	0.158555	-422.575728	-422.567993	-422.567048	-422.608335	29.725
+O	 0.8608052453	 0.015754156	 0.8932149134	-0.317313
+C	-0.1201342456	-0.0220364677	 0.1899902306	 0.412197
+C	-1.021807529	 1.1922526851	-0.0031529267	-0.305
+C	-1.7973043953	 1.1754418447	-1.3295993026	-0.244094
+C	-2.652958081	-0.0840306506	-1.4900039399	-0.057301
+C	-3.6839602646	-0.3459534264	-0.3724278411	-0.084514
+O	-2.846912061	-1.3634061378	 0.2177205628	-0.294102
+C	-1.9766569375	-1.3700011291	-0.9414452669	 0.125508
+C	-0.5086042715	-1.2918986318	-0.5662929322	-0.340933
+H	-1.7210535235	 1.1917478765	 0.8437074983	 0.141685
+H	-0.4082108697	 2.0907608102	 0.1033037467	 0.123585
+H	-2.4313854269	 2.0667942852	-1.4026661555	 0.107654
+H	-1.0887582845	 1.2358471045	-2.1656470403	 0.106679
+H	-3.0440136571	-0.1585212279	-2.5067945457	 0.077605
+H	-3.8882927595	 0.4756490474	 0.324769219	 0.10382
+H	-4.6391901227	-0.7576422336	-0.7238416907	 0.101567
+H	-2.1645806708	-2.2598180331	-1.557907336	 0.074878
+H	-0.2065515656	-2.1567687774	 0.0319695784	 0.139789
+H	 0.0958266305	-1.3223646343	-1.4848196117	 0.12829
+19
+0 721	3.3938703	1.2985389	1.0189204	1.3648	74.3	-0.23994	-0.0171	0.22283999999999998	1157.0932	0.158598	-422.572343	-422.564518	-422.563574	-422.605291	29.767
+O	 0.8198441247	 0.0189612641	-1.0488745934	-0.310315
+C	-0.0426608646	 0.0842395747	-0.2064264577	 0.398055
+C	-0.8819072045	 1.3497557663	-0.0033283641	-0.309758
+C	-1.6867602324	 1.3365982458	 1.3048328568	-0.248786
+C	-2.5869754614	 0.1049872863	 1.3198667848	 0.148586
+O	-2.9016728585	-0.3919964393	 2.6394163431	-0.29302
+C	-2.3728829737	-1.6980072879	 2.3251721551	-0.09122
+C	-1.87833084	-1.2233200742	 0.9414572233	-0.071406
+C	-0.3680471485	-1.0772055386	 0.7307426591	-0.332998
+H	-0.2143041649	 2.2133562707	-0.0738575807	 0.133827
+H	-1.5588053857	 1.423037215	-0.8664153226	 0.132819
+H	-1.01145586	 1.2864634774	 2.1658172396	 0.112375
+H	-2.2706464724	 2.2554779105	 1.4138851872	 0.108507
+H	-3.5039136511	 0.293168743	 0.7442678901	 0.077042
+H	-1.5970124907	-2.0100793257	 3.0355819268	 0.10299
+H	-3.1601160705	-2.4619652246	 2.3004445607	 0.103083
+H	-2.3297704808	-1.7476338493	 0.0966035737	 0.088016
+H	 0.1153696752	-0.849925053	 1.6918927158	 0.128061
+H	 0.0987580397	-1.9853852113	 0.3430836722	 0.12414
+19
+0 722	3.3819953	1.3542387	1.056648	2.6056	74.92	-0.22988	-0.01696	0.21292	1137.2587	0.158177	-422.567863	-422.560023	-422.559079	-422.600752	30.03
+O	 0.7120115574	-0.13440755	-1.1966232336	-0.303736
+C	-0.0766464933	-0.0047820118	-0.2923539469	 0.360253
+C	-0.8425444269	 1.3070450048	-0.0760487179	-0.18211
+O	-1.5634772344	 1.3162768916	 1.1391872506	-0.252237
+C	-2.5231466347	 0.2776442718	 1.1900109629	 0.136123
+C	-2.8387599305	-0.1864454688	 2.6282192412	-0.245784
+C	-2.5238210744	-1.653658566	 2.2116371811	-0.246972
+C	-1.9596070433	-1.1408861884	 0.854497444	-0.04033
+C	-0.4318900869	-1.088511166	 0.712066469	-0.318896
+H	-0.1269781587	 2.1335042795	-0.039595429	 0.141442
+H	-1.4966859858	 1.4765402747	-0.9485546097	 0.117512
+H	-3.4081250847	 0.5487505899	 0.5959680224	 0.067411
+H	-2.1155258944	 0.2297393903	 3.3326835926	 0.118019
+H	-3.845621001	 0.0165247643	 2.9974863648	 0.105924
+H	-1.8191457302	-2.1975481438	 2.8454881159	 0.104857
+H	-3.4189207773	-2.2679468065	 2.0910325955	 0.107836
+H	-2.3952063257	-1.6094446152	-0.0320968407	 0.080399
+H	 0.0179641221	-0.8079041438	 1.673800776	 0.128179
+H	 0.0025640928	-2.0399915765	 0.397779292	 0.12211
+19
+0 723	2.8019364	1.5924382	1.2562841	4.0241	74.19	-0.22815	-0.02039	0.20776	1042.1507	0.159285	-422.592006	-422.584266	-422.583322	-422.624889	29.305
+O	 0.4287826019	-0.0385507481	 1.5456708269	-0.3083
+C	-0.2477472695	 0.0203998121	 0.5538416577	 0.402167
+C	-0.6624577302	-1.1352200989	-0.3525119926	-0.324862
+C	-2.0760762802	-0.7433066637	-0.8289143493	-0.233421
+C	-2.1800232162	 0.8179574788	-0.7397303239	-0.052063
+C	-2.0947189634	 1.5459105044	-2.0935884242	-0.231943
+C	-0.5853882325	 1.6271405529	-2.3201373144	-0.074902
+O	-0.0169141095	 1.8139855417	-1.0257220587	-0.273692
+C	-0.8988475467	 1.2921796665	-0.0188215549	 0.018387
+H	 0.0441120009	-1.1726792596	-1.1916039633	 0.136213
+H	-0.6032569844	-2.0910076197	 0.1706399935	 0.124726
+H	-2.2882368858	-1.1004573285	-1.8403017248	 0.105022
+H	-2.8232709319	-1.1966041579	-0.1712580525	 0.114228
+H	-3.0808979693	 1.104662261	-0.194572596	 0.084758
+H	-2.6228955456	 1.0222511282	-2.8948648671	 0.104891
+H	-2.5160611099	 2.552495485	-2.0078516893	 0.11106
+H	-0.2027624804	 0.7033825601	-2.7824406082	 0.092484
+H	-0.2748145028	 2.4691322241	-2.9457428078	 0.114423
+H	-1.0378327746	 2.0540715217	 0.7529396686	 0.090822
+19
+0 724	2.5393498	1.7356418	1.2693271	3.0408	73.81	-0.23812	-0.0188	0.21932	1028.7352	0.159593	-422.596834	-422.589282	-422.588337	-422.629434	28.971
+O	 0.9176128915	-0.3384854003	 0.8078595975	-0.322466
+C	-0.166278223	-0.2301455312	 0.2950630889	 0.40724
+C	-1.0760636041	-1.3661541263	-0.1621627863	-0.315182
+C	-1.9537107985	-0.7314785121	-1.2487096976	-0.235333
+C	-2.1299433504	 0.7517964002	-0.826700714	-0.04508
+C	-3.2863234302	 1.009882955	 0.1734399346	-0.089396
+O	-2.7033235847	 1.0427463538	 1.4698911303	-0.244072
+C	-1.4540047699	 1.6940250737	 1.3143797134	-0.098247
+C	-0.870406047	 1.1070923906	 0.0116006666	-0.136897
+H	-0.5041065902	-2.2428474993	-0.4714967208	 0.123629
+H	-1.6805252668	-1.651341956	 0.7098700161	 0.14269
+H	-1.4361189169	-0.7769863946	-2.2133106543	 0.107435
+H	-2.914395586	-1.2377233807	-1.3768576229	 0.105101
+H	-2.2469750925	 1.3890426646	-1.7055111414	 0.079218
+H	-3.7715767263	 1.973577224	-0.0492873483	 0.091496
+H	-4.0537972	 0.2306120537	 0.171354056	 0.10831
+H	-1.5863637078	 2.7838934374	 1.2170627124	 0.091909
+H	-0.8417562583	 1.4902938574	 2.1960603878	 0.129982
+H	-0.1691545386	 1.7935017802	-0.467290548	 0.099662
+19
+0 725	2.4654535	1.7968299	1.2410634	2.2282	74.25	-0.23821	-0.0179	0.22031	1039.3288	0.159252	-422.601209	-422.593513	-422.592569	-422.634053	29.223
+O	 0.8497674816	-0.0370909865	-1.0197644698	-0.320726
+C	-0.1631097135	-0.0312156882	-0.369511104	 0.401188
+C	-0.8393660791	-1.2592685527	 0.2502401635	-0.31593
+C	-2.1714137225	-0.7492321805	 0.8216973327	-0.24795
+C	-1.9365163547	 0.7438008202	 1.0790672152	 0.102155
+O	-1.1878368897	 0.9012392391	 2.2816446804	-0.267711
+C	-0.4768751193	 2.1311311551	 2.1829945261	-0.071229
+C	-0.1106442321	 2.3154475042	 0.6873850949	-0.256533
+C	-0.9648146068	 1.2328328273	-0.0042191012	-0.125331
+H	-0.9337016858	-2.0602320876	-0.486997711	 0.127628
+H	-0.1757033023	-1.6282505051	 1.0398916598	 0.145404
+H	-2.9781275172	-0.8623102656	 0.0895847896	 0.105046
+H	-2.4786056566	-1.2608075472	 1.7363186367	 0.118949
+H	-2.8710328391	 1.3218535321	 1.1275599792	 0.062319
+H	-1.1075239143	 2.9633262527	 2.5311983517	 0.092568
+H	 0.3921628481	 2.0631353061	 2.8424329303	 0.113174
+H	-0.3619378385	 3.3187692126	 0.3365603766	 0.106687
+H	 0.9509130362	 2.1507762982	 0.4873299767	 0.130265
+H	-1.4595072944	 1.5966875657	-0.9104319573	 0.10003
+19
+0 726	2.7368533	1.6452245	1.2099842	2.1099	74.57	-0.2385	-0.02411	0.21439	1052.953	0.159154	-422.598058	-422.590452	-422.589508	-422.6306	29.233
+O	 1.3925463424	 0.0375420304	-0.1477108333	-0.304978
+C	 0.1923855788	-0.0131014617	-0.0963178803	 0.368371
+C	-0.6679936794	-1.2765594454	-0.0882054942	-0.185112
+O	-1.9273109291	-0.8749851696	 0.4024449518	-0.271541
+C	-2.1656992274	 0.5043588429	 0.0566445116	 0.111837
+C	-2.8955632955	 1.1694232998	 1.2231351267	-0.217718
+C	-1.7628214388	 1.5139869057	 2.2051913896	-0.205407
+C	-0.6301010885	 2.0130089524	 1.28783884	-0.221883
+C	-0.7728176761	 1.1715486334	-0.0135688613	-0.145139
+H	-0.723990027	-1.6813473502	-1.11440184	 0.11412
+H	-0.2479973823	-2.0501263276	 0.5608433168	 0.136786
+H	-2.7203597925	 0.5491975048	-0.8900142755	 0.068135
+H	-3.3872897831	 2.0836236188	 0.8687119271	 0.097586
+H	-3.6630326225	 0.5126175888	 1.6401161403	 0.112506
+H	-2.0528135682	 2.2525377559	 2.9567072987	 0.099258
+H	-1.4523472814	 0.6069741651	 2.7343430008	 0.113742
+H	-0.778739006	 3.0710126245	 1.0487046641	 0.105554
+H	 0.3675189811	 1.917652335	 1.724344555	 0.119348
+H	-0.6202263044	 1.7877136469	-0.903351198	 0.104535
+19
+0 727	2.5494784	1.7621786	1.2588711	4.3043	73.44	-0.26075	0.01412	0.27487	1030.8813	0.160468	-422.624925	-422.617421	-422.616477	-422.657766	28.593
+O	 1.1906977443	-0.3658529588	-0.5118446326	-0.347819
+C	 0.0270285657	-0.2097964143	-0.274746375	 0.433136
+O	-0.8343706928	-1.2526939742	-0.1624503909	-0.21576
+C	-2.1654820043	-0.8176991566	 0.1501920633	-0.096573
+C	-2.2078457038	 0.7206977793	 0.0010308522	-0.039839
+C	-2.8485416876	 1.2443545287	-1.3126178629	-0.216986
+C	-1.6698955874	 1.503374637	-2.2701099919	-0.211658
+C	-0.559178796	 2.0088453695	-1.3358332517	-0.210549
+C	-0.7122475529	 1.1147988834	-0.0876167056	-0.166184
+H	-2.8497622464	-1.3297903276	-0.5326303345	 0.119473
+H	-2.3936592092	-1.1392357768	 1.1719266498	 0.116402
+H	-2.7064370608	 1.1534580326	 0.8700219305	 0.08436
+H	-3.5929868865	 0.5532057793	-1.7196590137	 0.099419
+H	-3.367350131	 2.1874602019	-1.1082706202	 0.10367
+H	-1.3553002848	 0.568724426	-2.7503486778	 0.115616
+H	-1.9168724039	 2.2094250645	-3.0670303025	 0.101449
+H	 0.4458593578	 1.9364287428	-1.7578046984	 0.12761
+H	-0.7388142547	 3.0548137001	-1.0643028583	 0.098849
+H	-0.3178062858	 1.5905535932	 0.8137909201	 0.105384
+19
+0 728	2.6825785	1.3360461	1.0101942	1.8	75.25	-0.2443	-0.02596	0.21833999999999998	1185.6746	0.157685	-422.608459	-422.599912	-422.598967	-422.642384	31.645
+O	-4.2660851904	 1.2684430554	 0.2342428322	-0.297566
+C	-3.2421817397	 0.7430671902	-0.1392984808	 0.382854
+C	-3.1251339183	-0.7772466453	-0.2087043637	-0.291421
+C	-2.1100834677	-1.3513572642	 0.8094167997	-0.22533
+C	-0.6568829828	-1.3735979949	 0.3098877171	-0.293243
+C	-0.150678561	-0.0936100186	-0.3471481845	 0.380666
+O	 0.6539498559	-0.1322351846	-1.2494733156	-0.30626
+C	-0.7049222647	 1.2362501319	 0.1481825657	-0.302248
+C	-2.042035064	 1.5907468565	-0.5508842583	-0.296082
+H	-4.1248146678	-1.1696726984	-0.0106162476	 0.125404
+H	-2.8361625306	-1.0812160876	-1.2237530742	 0.117415
+H	-2.1893316919	-0.7967914409	 1.7516181701	 0.115485
+H	-2.4005198254	-2.3793097075	 1.0469325265	 0.118545
+H	 0.0152836584	-1.5823818151	 1.1542910908	 0.129905
+H	-0.5010541819	-2.1791153448	-0.4142823742	 0.130171
+H	-0.8444752377	 1.228199713	 1.234923546	 0.114234
+H	 0.0302663149	 2.0041953975	-0.1022986658	 0.132263
+H	-2.3043611173	 2.6309154934	-0.3465140641	 0.129998
+H	-1.9025649379	 1.4892921043	-1.6357602292	 0.135209
+19
+0 729	2.6206496	1.6268833	1.2481467	2.4635	74.97	-0.22531	-0.02779	0.19752	1063.9702	0.157541	-422.571678	-422.563444	-422.5625	-422.604955	30.755
+O	 0.9738936827	-0.0968331798	 0.7161586817	-0.321488
+C	-0.1220597674	-0.0173552718	 0.2247463916	 0.381631
+C	-0.8600014674	 1.2595672868	-0.183598223	-0.32359
+C	-2.2377956047	 0.7827520193	-0.6832041573	-0.22153
+C	-1.994576306	-0.6740308458	-1.1450563207	-0.294534
+C	-1.0339514197	-1.2214188171	-0.1044414897	 0.368318
+C	-0.3530848133	-2.5944412891	-0.1885441677	-0.367276
+C	-1.0039645276	-2.8517372212	 1.1837694866	-0.065859
+O	-1.7188759624	-1.5926118436	 1.1334589745	-0.330521
+H	-0.8935752158	 1.9737418127	 0.6429687899	 0.135583
+H	-0.2762498523	 1.7308328253	-0.9845368325	 0.133276
+H	-2.9559045125	 0.7814172497	 0.1422525078	 0.126201
+H	-2.6460103032	 1.413417465	-1.4758728185	 0.103111
+H	-2.9089493889	-1.2684366915	-1.2101333148	 0.1108
+H	-1.5050771372	-0.6876959004	-2.1281912342	 0.104148
+H	-0.7157797367	-3.229406216	-0.9985267037	 0.109948
+H	 0.736748554	-2.5552536673	-0.1962126793	 0.129194
+H	-1.6949558106	-3.6990286123	 1.2515232737	 0.105761
+H	-0.3039628711	-2.8852401431	 2.0256710458	 0.116826
+19
+0 730	2.6867046	1.5104557	1.1667068	3.5941	74.61	-0.24325	-0.02734	0.21591	1097.4131	0.157854	-422.567368	-422.559203	-422.558259	-422.600714	30.368
+O	 0.9221459274	 0.0998717928	 0.8640561405	-0.32165
+C	-0.1263064991	 0.1014940544	 0.2701354129	 0.348199
+C	-0.8042669914	 1.3138144515	-0.373085355	-0.319441
+C	-2.2182196057	 0.8260012289	-0.7269359702	-0.224834
+C	-2.0306955063	-0.6834271205	-1.0007549994	-0.306451
+C	-1.0036381288	-1.1319146812	 0.0407321549	 0.191585
+C	-0.2772710943	-2.4842440262	-0.1080512211	-0.129706
+O	-0.8987065854	-3.0233198263	 1.0751239831	-0.268542
+C	-1.5418044137	-1.7726327322	 1.3586358485	-0.103744
+H	-0.7568422664	 2.1872169249	 0.2812870801	 0.1313
+H	-0.2330180584	 1.561718236	-1.2779303713	 0.134634
+H	-2.8890385765	 0.9677503216	 0.1284395325	 0.110368
+H	-2.6583997576	 1.3561125975	-1.5743942149	 0.108584
+H	-2.9653952247	-1.2483985663	-0.9506500382	 0.109695
+H	-1.6171323657	-0.8291770643	-2.0073947616	 0.105638
+H	-0.5331523505	-3.0578631766	-1.0074490597	 0.099863
+H	 0.8119407722	-2.415514484	-0.0024096952	 0.119647
+H	-2.6342385212	-1.8653028501	 1.4142718137	 0.101136
+H	-1.162819774	-1.3168498696	 2.2816401605	 0.11372
+19
+0 731	2.7170557	1.5989716	1.2296721	1.7007	75.4	-0.23708	-0.02389	0.21319000000000002	1068.248	0.157478	-422.571702	-422.563571	-422.562627	-422.604672	30.8
+O	 1.1877584395	-0.2179707874	 0.0482535966	-0.317892
+C	-0.0061789836	-0.0822886646	-0.0318594139	 0.340806
+C	-0.7898676615	 1.2309522536	-0.0516667673	-0.34006
+C	-2.2232915853	 0.7527967083	 0.18690351	-0.110307
+O	-2.2725605613	-0.5731354563	-0.3507940519	-0.304262
+C	-1.0337522479	-1.2086674605	-0.1265689672	 0.328977
+C	-0.9161369788	-2.2334202957	 1.053550969	-0.278453
+C	-0.1305867828	-3.1696040147	 0.0978190445	-0.207819
+C	-0.6673456068	-2.3494533195	-1.1059693094	-0.275987
+H	-0.4022672477	 1.9395880253	 0.6824202335	 0.134479
+H	-0.6776993336	 1.6764652596	-1.0470313083	 0.142248
+H	-2.4612939483	 0.7427899787	 1.2612747222	 0.10245
+H	-2.9839423737	 1.3438849428	-0.327133069	 0.117791
+H	-0.4190828196	-1.9021449901	 1.9680743633	 0.10436
+H	-1.9111078247	-2.6169033529	 1.2937955865	 0.111587
+H	 0.9472317058	-3.0477088883	 0.2146932259	 0.12782
+H	-0.3798474618	-4.2315852051	 0.1271420359	 0.10065
+H	 0.028017307	-2.1035388315	-1.9112504993	 0.108572
+H	-1.5820567149	-2.7733117218	-1.5276957112	 0.115041
+19
+0 732	2.6586784	1.5316175	1.1823188	1.8569	75.3	-0.23939	-0.02667	0.21272	1093.1417	0.157634	-422.564126	-422.555957	-422.555013	-422.597204	30.579
+O	 1.2907543735	 0.310315559	-0.3944944314	-0.317811
+C	 0.1145961224	 0.1656441033	-0.1819982633	 0.302386
+C	-0.9029612272	 1.2659920129	 0.1308954219	-0.183109
+O	-2.1114731391	 0.5968451662	 0.4355215007	-0.252001
+C	-2.0975414201	-0.6519099816	-0.2621921949	-0.170053
+C	-0.6553568903	-1.1473770711	-0.1769299491	 0.239321
+C	-0.1856343271	-2.2803025898	-1.1229970039	-0.284783
+C	-0.2558842682	-3.285380538	 0.0574050836	-0.207878
+C	-0.3272840274	-2.0861604469	 1.0390726302	-0.265187
+H	-0.5969510871	 1.8821758919	 0.9813011728	 0.139553
+H	-1.0002747125	 1.9209530658	-0.751691606	 0.119512
+H	-2.8290353903	-1.3048221621	 0.2203136753	 0.116208
+H	-2.3955497301	-0.5111294021	-1.3152475973	 0.092977
+H	-0.8157934068	-2.4778393156	-1.9944405929	 0.101023
+H	 0.8386815664	-2.0932749987	-1.4571078085	 0.12613
+H	-1.1797523817	-3.8698505977	 0.0502141925	 0.105521
+H	 0.5852000253	-3.9711785334	 0.1770384481	 0.10671
+H	-1.0754509751	-2.1156197666	 1.8346950365	 0.110783
+H	 0.6468508252	-1.8478556156	 1.4734343259	 0.120699
+19
+0 733	2.7135033	1.5385408	1.1957347	4.1765	74.57	-0.26017	0.01089	0.27106	1085.0977	0.158817	-422.595233	-422.587262	-422.586318	-422.628006	30.079
+O	 1.1851128269	 0.3778232068	 0.7155947299	-0.357753
+C	 0.0422162677	 0.1898004157	 0.4078121481	 0.407724
+O	-0.816291978	 1.2104296555	 0.1345393003	-0.225435
+C	-2.10356236	 0.6962128791	-0.2508401213	-0.086959
+C	-2.1442324754	-0.7459550106	 0.2745682839	-0.31568
+C	-0.6680016441	-1.1442185676	 0.2336035516	 0.194822
+C	-0.2031092802	-1.9646245452	-1.0227998741	-0.266353
+C	-0.1476167216	-3.236495072	-0.1369483976	-0.212235
+C	-0.1868269981	-2.3238073131	 1.116845489	-0.279124
+H	-2.8660362448	 1.3468541411	 0.1820292963	 0.12597
+H	-2.1840617289	 0.740647629	-1.3434761529	 0.117261
+H	-2.5081049634	-0.7584374741	 1.3080455584	 0.116633
+H	-2.7965681192	-1.3886867219	-0.3214319412	 0.112464
+H	-0.881377008	-1.9657634237	-1.880064858	 0.100407
+H	 0.7891300604	-1.649358721	-1.3539031134	 0.126708
+H	-1.0488879308	-3.8476919649	-0.2342942007	 0.103814
+H	 0.7232037418	-3.8839898869	-0.2559561033	 0.107536
+H	-0.844743439	-2.6157327822	 1.9394622746	 0.098812
+H	 0.8106415748	-2.1132083941	 1.5108139104	 0.131387
+19
+0 734	2.7449342	1.312874	0.9784876	2.1829	74.92	-0.24119	-0.02497	0.21622	1220.426	0.157098	-422.565633	-422.557156	-422.556212	-422.599759	31.114
+O	 0.7933630172	-0.0491092285	 1.1385619684	-0.314391
+C	-0.2185679411	-0.04727517	 0.486957454	 0.392813
+C	-0.8953848856	-1.2667003464	-0.14171355	-0.310698
+C	-1.8509176023	-0.6798157986	-1.1906398941	-0.21904
+C	-2.2950951133	 0.6692638982	-0.579512374	-0.241356
+C	-1.0406517236	 1.2147658475	 0.1342270069	-0.127318
+C	-0.2110839501	 2.1493582219	-0.724458472	 0.098394
+C	 0.7144943112	 3.1182073711	-0.1333223876	-0.175109
+O	-0.5479752337	 3.5358888106	-0.6672826032	-0.245449
+H	-0.1557875761	-1.9770704278	-0.5176445929	 0.128834
+H	-1.4547426496	-1.7747410705	 0.6561487198	 0.132103
+H	-1.3132629139	-0.5092497201	-2.1308534534	 0.109917
+H	-2.6951398899	-1.334329075	-1.4190731123	 0.10763
+H	-2.6890435984	 1.3654942051	-1.3241749901	 0.117471
+H	-3.0902286305	 0.4968651722	 0.1540854331	 0.105683
+H	-1.2760777797	 1.7505239319	 1.0585783196	 0.104435
+H	 0.0031337229	 1.7909815436	-1.7334767102	 0.093634
+H	 0.807926444	 3.1704486914	 0.9495247876	 0.125101
+H	 1.5895564926	 3.4438619632	-0.6928519794	 0.117345
+19
+0 735	2.7764004	1.3461219	0.9913634	1.6639	75.67	-0.23786	-0.02439	0.21347	1215.7378	0.157001	-422.560198	-422.551682	-422.550738	-422.59425	31.333
+O	 1.2507028846	-0.1931327343	 0.2238297463	-0.302431
+C	 0.0575020272	-0.1444585528	 0.0901672463	 0.373
+C	-0.9209304195	-1.3183642198	 0.0350158338	-0.338423
+C	-2.2734684186	-0.6261017246	 0.212936414	-0.094837
+O	-2.1055927209	 0.688225186	-0.3270710688	-0.262898
+C	-0.7834331013	 1.1379588908	-0.054205872	-0.013381
+C	-0.6897375915	 2.0153234463	 1.1762330279	 0.019785
+C	 0.4519584448	 2.991203073	 1.2965141869	-0.253535
+C	-0.9485211708	 3.4958544891	 1.0600023836	-0.279825
+H	-0.8369069775	-1.7817388631	-0.955007771	 0.141658
+H	-0.6786340471	-2.0742477133	 0.784448036	 0.134442
+H	-3.0921085974	-1.1000726792	-0.3327486677	 0.118066
+H	-2.5538071914	-0.5781973131	 1.2763856448	 0.100663
+H	-0.4323838256	 1.702746102	-0.9273685736	 0.10217
+H	-1.0170394082	 1.535474353	 2.094822164	 0.08357
+H	 0.8988214206	 3.133866731	 2.2734880451	 0.115865
+H	 1.1604488192	 3.0394394892	 0.4771265547	 0.123797
+H	-1.4661357953	 3.9873426283	 1.8759331841	 0.1149
+H	-1.1926100912	 3.8892500514	 0.0787255057	 0.117413
+19
+0 736	2.9841754	1.2375757	0.9231317	1.7843	75.36	-0.23649	-0.02418	0.21231	1263.9183	0.157096	-422.557698	-422.549232	-422.548288	-422.591525	31.236
+O	 1.216873379	-0.2973471736	-0.5612477145	-0.301035
+C	 0.0790313005	-0.1810425442	-0.192829887	 0.358154
+C	-0.8485150588	-1.3109113556	 0.2647856039	-0.184291
+O	-2.036213066	-0.6878861436	 0.7114943964	-0.249021
+C	-2.1721502795	 0.5434785248	 0.0003335655	-0.109242
+C	-0.7504757574	 1.112318652	-0.1174201172	-0.133441
+C	-0.4975155184	 2.0747004059	-1.2494994834	 0.030469
+C	-0.7353367043	 3.5563735484	-1.0687965171	-0.285789
+C	 0.6693421324	 3.02459648	-1.1962922622	-0.255972
+H	-1.0274326676	-1.9877158584	-0.5883095513	 0.11967
+H	-0.4098326449	-1.8970032113	 1.0776470761	 0.138827
+H	-2.600195964	 0.3710965176	-1.0013957354	 0.094626
+H	-2.8598890307	 1.1760673392	 0.5644312209	 0.120597
+H	-0.4841097506	 1.5861716692	 0.8387444736	 0.106892
+H	-0.7346931949	 1.6706715955	-2.2305648555	 0.086449
+H	-1.1564030397	 4.1121738465	-1.8989889482	 0.114954
+H	-1.0620537738	 3.9027148892	-0.093501082	 0.11094
+H	 1.2135846762	 3.2138813756	-2.1141086475	 0.117805
+H	 1.2929769625	 3.0085922426	-0.3095364452	 0.119409
+19
+0 737	2.7598457	1.3414181	1.0107074	4.1632	74.86	-0.25473	0.01401	0.26874000000000003	1202.5446	0.15835	-422.588504	-422.580177	-422.579232	-422.622294	30.676
+O	 1.2559605896	-0.0245212901	-0.5844382398	-0.343646
+C	 0.0862698923	 0.0163917386	-0.3361116265	 0.44112
+O	-0.6562364215	-1.1092016161	-0.142297447	-0.219355
+C	-2.0173350543	-0.7814656793	 0.1810375952	-0.078826
+C	-2.2193491023	 0.6714140639	-0.2788783616	-0.256396
+C	-0.8021464506	 1.2553447942	-0.1634123119	-0.166135
+C	-0.5105885937	 1.9267966659	 1.1691303891	 0.027882
+C	 0.7070593595	 2.7970739879	 1.3209343137	-0.258128
+C	-0.6666670272	 3.4215872472	 1.3108378281	-0.285145
+H	-2.6635836297	-1.4978789885	-0.3304374921	 0.125054
+H	-2.1569160843	-0.8985588984	 1.2621981061	 0.117263
+H	-2.5574236834	 0.6901099009	-1.3189395583	 0.116545
+H	-2.9557182331	 1.2025013547	 0.3279029434	 0.116193
+H	-0.5668164227	 1.9547235999	-0.9697609592	 0.100917
+H	-0.7853532948	 1.3329575405	 2.0378472468	 0.08663
+H	 1.2503342902	 2.7586909542	 2.2580764258	 0.117371
+H	 1.3382120875	 2.9280482774	 0.4492918442	 0.130959
+H	-1.0652125707	 3.8105872029	 2.2411809798	 0.114534
+H	-0.963531261	 3.984641234	 0.4318167942	 0.113163
+19
+0 738	2.8675962	1.3789953	1.0708427	4.4596	75.46	-0.25312	0.01568	0.26880000000000004	1151.1415	0.158273	-422.588533	-422.580476	-422.579532	-422.621305	30.918
+O	 0.9023009495	 0.0254909645	-0.8937483394	-0.322679
+C	-0.0903114302	 0.0308227617	-0.2184769879	 0.410606
+C	-0.907103301	-1.231690415	 0.0443312308	-0.417915
+C	-1.8528756641	-1.1537873172	 1.2256471828	 0.370523
+C	-1.4350396403	-1.7572100775	 2.5464076816	-0.30436
+C	-2.5200159347	-2.4073187677	 1.71702479	-0.335128
+C	-2.5881368953	 0.1685695842	 1.2262782182	-0.303206
+C	-1.5645837383	 1.295018251	 1.2795596877	-0.058366
+O	-0.5574676737	 1.2127252672	 0.2551671561	-0.231063
+H	-1.4781926033	-1.4030753002	-0.8796038395	 0.138182
+H	-0.1995576652	-2.0603253817	 0.1250898001	 0.134109
+H	-0.4712572673	-2.2518234729	 2.604548165	 0.120107
+H	-1.7279694211	-1.2506048927	 3.4604310011	 0.113326
+H	-2.2875135624	-3.3409486583	 1.2149970364	 0.116821
+H	-3.5435512841	-2.3369019938	 2.0706059235	 0.114336
+H	-3.2029042725	 0.2634181715	 0.3216586215	 0.110076
+H	-3.2578207679	 0.2579571381	 2.0883612029	 0.106298
+H	-2.0301060769	 2.2742078573	 1.1417799017	 0.121413
+H	-1.0550253111	 1.2938811315	 2.2513284075	 0.116919
+19
+0 739	2.6778598	1.4947706	1.0915831	4.2571	76.08	-0.25417	0.01425	0.26842	1137.2577	0.157907	-422.589157	-422.581103	-422.580159	-422.621957	31.087
+O	 0.935350058	 0.0280462794	 0.8646160471	-0.321283
+C	-0.0622104042	 0.0363804502	 0.1968867453	 0.386728
+C	-0.8559483186	 1.3055334949	-0.0862548275	-0.321793
+C	-1.8010487905	 1.2371828273	-1.2890095607	-0.224833
+C	-2.5633927316	-0.0887643648	-1.2442588089	-0.277758
+C	-1.5706959852	-1.2232981966	-1.2540851772	 0.466849
+C	-1.9659022548	-2.6296099672	-1.565076057	-0.330392
+C	-1.1131229886	-1.8459524583	-2.5473320862	-0.317607
+O	-0.5582603063	-1.1469743834	-0.2526393147	-0.269987
+H	-1.434764637	 1.4926408552	 0.8283365594	 0.139455
+H	-0.1332342411	 2.1207662056	-0.1614746178	 0.137005
+H	-2.4854464178	 2.0908116436	-1.2792127886	 0.104194
+H	-1.2289034766	 1.2951026558	-2.2224848958	 0.112697
+H	-3.1788449665	-0.1390653126	-0.3360448168	 0.108015
+H	-3.2380108137	-0.1937008353	-2.0989528325	 0.106916
+H	-1.4743320658	-3.4090763929	-0.9948756782	 0.135138
+H	-3.0031112534	-2.8265605274	-1.8135916798	 0.117977
+H	-0.0665513759	-2.1173914453	-2.6183304862	 0.132608
+H	-1.5638184102	-1.5040270281	-3.4730880539	 0.116071
+19
+0 740	2.6535354	1.4580509	1.09777	3.861	75.43	-0.23862	-0.0145	0.22411999999999999	1133.9691	0.157566	-422.577078	-422.568997	-422.568053	-422.609844	31.076
+O	 1.167908943	-0.0597360183	 0.1401903352	-0.300675
+C	-0.0337424386	-0.0155961627	 0.0335017078	 0.392135
+C	-0.8044793988	 1.2919977742	-0.0986994611	-0.292338
+C	-1.8605909942	 1.236098602	-1.2190394463	-0.214387
+C	-2.7920810762	 0.0262452911	-1.0517511862	-0.270859
+C	-1.9787420684	-1.2525363415	-1.0156628412	 0.419724
+C	-2.5041791628	-2.5079362514	-1.5632272071	-0.245917
+O	-1.5585245595	-1.7297891846	-2.3040367103	-0.273243
+C	-0.8958244594	-1.2788000183	 0.0527168263	-0.371881
+H	-1.3102261806	 1.470614513	 0.862165097	 0.11545
+H	-0.0858934893	 2.1010786869	-0.2477033493	 0.122892
+H	-2.4391347085	 2.1649385575	-1.2282529932	 0.104059
+H	-1.3584188156	 1.1626140814	-2.1906452493	 0.1273
+H	-3.3647732946	 0.1196387957	-0.1188907615	 0.099362
+H	-3.510612241	-0.0238482386	-1.8748088242	 0.109038
+H	-2.1319215461	-3.4600769218	-1.1864628134	 0.114802
+H	-3.5120932313	-2.5370329474	-1.9763148919	 0.113079
+H	-1.3762978333	-1.3292223174	 1.0408675988	 0.121897
+H	-0.2494536644	-2.1514481097	-0.05802334	 0.129561
+19
+0 741	2.767693	1.4527314	1.1222407	1.7838	75.68	-0.2381	-0.01571	0.22239	1120.6758	0.157394	-422.568618	-422.560565	-422.559621	-422.601237	31.294
+O	 1.2098223665	 0.0076329486	-0.1866924207	-0.304975
+C	 0.0066325998	 0.0156231355	-0.0826715875	 0.378211
+C	-0.8169736371	 1.2923046575	 0.0058419649	-0.300699
+C	-1.8585600289	 1.1884055931	 1.1346026328	-0.10075
+O	-2.6454538999	 0.0139034422	 1.0036660103	-0.284019
+C	-1.8674785162	-1.1506473647	 1.0934076873	 0.427211
+C	-1.5567639149	-1.6706924515	 2.4775824522	-0.320414
+C	-2.5884599177	-2.3556540287	 1.597037146	-0.332286
+C	-0.8331004317	-1.2552804172	-0.0200834115	-0.361485
+H	-0.1509958246	 2.1472484898	 0.1464516682	 0.1213
+H	-1.3489415132	 1.4179041149	-0.946445815	 0.127116
+H	-1.352598308	 1.1986600706	 2.1118662257	 0.102966
+H	-2.5539652941	 2.0308975671	 1.1008667205	 0.114928
+H	-0.6085058494	-2.167581724	 2.6511712844	 0.121273
+H	-1.931482427	-1.094982249	 3.3164081584	 0.121671
+H	-2.346088134	-3.3196485865	 1.163223263	 0.116878
+H	-3.6315142888	-2.219579912	 1.8584126462	 0.128585
+H	-0.1751483926	-2.1174636586	 0.1076355781	 0.119918
+H	-1.3604732084	-1.3607873671	-0.9786588331	 0.12457
+19
+0 742	2.7372493	1.4230067	1.0843478	2.8107	75.67	-0.23058	-0.02072	0.20986000000000002	1143.3921	0.157435	-422.562653	-422.554507	-422.553563	-422.595494	31.222
+O	 1.0847182212	 0.0087871525	-0.4576329579	-0.298239
+C	-0.076905087	-0.0052389953	-0.1293824232	 0.374443
+C	-0.8633296915	 1.2894072874	 0.1014490376	-0.171651
+O	-1.7654426411	 1.2221269731	 1.1888274868	-0.240244
+C	-2.6608004927	 0.123751411	 1.0941265295	-0.154214
+C	-1.9096108352	-1.188998567	 1.1374572273	 0.354181
+C	-1.5714551805	-1.7714961789	 2.4866304502	-0.294405
+C	-2.6176824839	-2.4279188819	 1.6156719005	-0.326628
+C	-0.8893955126	-1.2871929555	 0.0122320253	-0.396795
+H	-0.1607265012	 2.1003953019	 0.3017550621	 0.135822
+H	-1.3991265961	 1.521209578	-0.8393427605	 0.104862
+H	-3.3475109932	 0.2159115651	 1.9401975876	 0.108713
+H	-3.2526735226	 0.1971096815	 0.1641071514	 0.086169
+H	-0.616497982	-2.2731989152	 2.601268305	 0.119686
+H	-1.9005579927	-1.2374151221	 3.3716060463	 0.120138
+H	-2.3704473883	-3.3705213622	 1.1383864466	 0.115358
+H	-3.6583438043	-2.3422107833	 1.9120501109	 0.115
+H	-0.2046931032	-2.1312620744	 0.1284269838	 0.123298
+H	-1.4146279531	-1.4244165147	-0.9465762695	 0.124507
+19
+0 743	2.5313672	1.7491527	1.2718184	3.4891	74.17	-0.23182	-0.02366	0.20816	1028.4847	0.159233	-422.569303	-422.561756	-422.560811	-422.601285	29.597
+O	 2.7736427339	 2.1516263249	 1.1088837092	-0.311351
+C	 1.9224988627	 1.3145753948	 0.9152944479	 0.402327
+C	 1.9487069215	-0.0340622274	 1.6364697337	-0.309426
+C	 0.5933534656	-0.6254441754	 2.0663608137	-0.198961
+C	-0.3511935619	-1.05609121	 0.9308613714	-0.223989
+C	-0.6121473756	 0.0507375084	-0.0994436548	 0.119377
+C	 0.5545281808	 0.3795100248	-1.0583456082	-0.293234
+C	 0.8042196945	 1.5629496463	-0.0987963634	 0.014075
+O	-0.5011314709	 1.3731873704	 0.5021481873	-0.289289
+H	 2.4657575559	-0.7408853707	 0.9700721763	 0.120794
+H	 2.602083899	 0.0977633647	 2.5031271773	 0.126855
+H	 0.7888685524	-1.4980621175	 2.6991740135	 0.099854
+H	 0.0739770282	 0.1062258391	 2.6918831554	 0.124713
+H	 0.0448748405	-1.935077885	 0.404798117	 0.100509
+H	-1.3016114002	-1.3674058811	 1.3788177573	 0.107334
+H	-1.5898114973	-0.0798389913	-0.5739482277	 0.083284
+H	 1.3456979933	-0.3630337239	-1.1762492928	 0.110108
+H	 0.2166124259	 0.709553711	-2.041492886	 0.120477
+H	 0.9262628417	 2.5625669978	-0.522400327	 0.096542
+19
+0 744	2.5454739	1.7408209	1.2811161	1.9487	74.65	-0.23623	-0.01434	0.22189	1019.6003	0.159073	-422.562433	-422.554961	-422.554017	-422.594208	29.708
+O	-0.5495872091	-2.4267691831	 1.0931212346	-0.318898
+C	-0.2489964463	-1.2561611281	 1.0215157188	 0.391674
+C	-0.607815188	-0.2832378709	 2.1460428587	-0.320488
+C	 0.4940972264	 0.706098866	 2.560716731	-0.08681
+O	 0.8244935653	 1.7016126175	 1.6087649457	-0.263899
+C	 1.22381853	 1.2913170307	 0.313917366	 0.134322
+C	 1.8868744656	-0.1092948544	 0.1986801872	-0.273088
+C	 0.4882560377	-0.7048602665	-0.1842314384	-0.104941
+C	 0.0673934368	 0.7470534354	-0.5725007336	-0.257636
+H	-1.4943964553	 0.2861904086	 1.8376001551	 0.130587
+H	-0.8962503076	-0.8880267046	 3.0103587134	 0.124929
+H	 0.1513872907	 1.2658437984	 3.4357737942	 0.117712
+H	 1.3898177379	 0.1479357094	 2.8699284658	 0.102086
+H	 1.786858194	 2.1371855097	-0.0867793757	 0.086086
+H	 2.5556176453	-0.1404366453	-0.6646139249	 0.115762
+H	 2.4195505578	-0.5182084005	 1.0589954701	 0.115801
+H	 0.4784781209	-1.467694899	-0.9631499676	 0.088238
+H	 0.2590696223	 0.9351949522	-1.6319883039	 0.109812
+H	-0.9427371743	 1.0827302047	-0.3293492963	 0.108752
+19
+0 745	2.5094868	1.7772434	1.287136	3.2306	74.79	-0.23094	-0.01675	0.21419	1017.98	0.15924	-422.560493	-422.553019	-422.552075	-422.592337	29.486
+O	-1.0349065727	-2.3355460395	 0.6657557577	-0.314072
+C	-0.2839418189	-1.3984380938	 0.8170824088	 0.374916
+C	-0.4824131385	-0.4635357984	 2.0241213666	-0.180722
+O	 0.6952807016	 0.0718296713	 2.5860469455	-0.235022
+C	 1.316894622	 1.1221701135	 1.8652459767	-0.090321
+C	 1.866824354	 0.7088846977	 0.4930861674	-0.017643
+C	 0.7790889702	 0.4431598087	-0.5822804336	-0.249656
+C	 0.8016824419	-1.0696918519	-0.1857390732	-0.10179
+C	 2.2152550304	-0.8055431405	 0.4330811636	-0.239765
+H	-1.1784590083	 0.3386844423	 1.719843377	 0.11028
+H	-0.9753372875	-1.0482885532	 2.8040519178	 0.136543
+H	 0.6223980319	 1.9721075093	 1.7520165256	 0.091715
+H	 2.1403818571	 1.44637005	 2.5093639591	 0.113304
+H	 2.6538848021	 1.4128389981	 0.2077732572	 0.073251
+H	-0.1697954364	 0.9820561762	-0.5019931953	 0.10144
+H	 1.1697020998	 0.5782842185	-1.5935190963	 0.11181
+H	 0.7392802508	-1.8020896184	-0.9912077693	 0.08797
+H	 2.4618346264	-1.304799398	 1.3708057354	 0.120967
+H	 2.9912955441	-1.0149108118	-0.3066588308	 0.106794
+19
+0 746	2.5698369	1.7587355	1.2872496	4.4866	74.74	-0.25355	0.00878	0.26233	1019.6903	0.16008	-422.581357	-422.573972	-422.573028	-422.613129	29.152
+O	-2.1268695607	-1.0965660163	 0.7800358458	-0.318782
+C	-1.2339470965	-0.3116003296	 0.9559105846	 0.385433
+O	-0.6150804902	-0.3021598932	 2.1712172502	-0.23194
+C	 0.7305279737	 0.1585064599	 2.3657435062	-0.070595
+C	 0.9914508758	 1.6443933023	 2.1177520389	-0.226246
+C	 0.5807154722	 2.1506903419	 0.7289901474	-0.000135
+C	 0.6196009471	 1.046734227	-0.3657675768	-0.258878
+C	-0.8839100861	 0.7520743495	-0.069713895	-0.115995
+C	-0.9613232502	 2.1865320229	 0.5456568799	-0.229055
+H	 0.9389518747	-0.0773659584	 3.4121456842	 0.123477
+H	 1.4042445568	-0.4567048717	 1.7588928822	 0.115735
+H	 0.4871675482	 2.2430586842	 2.8859884824	 0.112008
+H	 2.0697896245	 1.7888246113	 2.2643500776	 0.105721
+H	 1.1098003398	 3.0798481773	 0.5032638877	 0.071718
+H	 0.7082267381	 1.4819830187	-1.364186979	 0.110114
+H	 1.3478588412	 0.2374217601	-0.2834247649	 0.106093
+H	-1.5163876207	 0.5493174239	-0.9326545505	 0.100574
+H	-1.2683380598	 2.9126651789	-0.2106555109	 0.108411
+H	-1.5754716678	 2.3195112414	 1.4397227903	 0.112343
+19
+0 747	2.6958383	1.5072046	1.0560923	4.4438	75.41	-0.25447	0.01298	0.26744999999999997	1136.27	0.158898	-422.576669	-422.568687	-422.567743	-422.609523	30.453
+O	-1.6979263244	 3.0416319522	 0.9010464507	-0.307549
+C	-1.1374291092	 2.0567987807	 0.5011530603	 0.393072
+C	 0.3393784417	 2.064909904	 0.11393236	-0.346702
+C	 0.6423518007	 1.6192415067	-1.3040692561	-0.012177
+C	 1.8207786109	 0.7113679655	-1.5711072694	-0.322869
+C	 0.4162350603	 0.1722206388	-1.6572007225	 0.006724
+C	-0.1756939265	-0.7222929256	-0.5867100341	-0.25968
+C	-1.6093863324	-0.3188427763	-0.2456528285	-0.040717
+O	-1.8276008869	 0.8853272191	 0.5104775624	-0.238251
+H	 0.6842609785	 3.0870166371	 0.2827858174	 0.132711
+H	 0.8684035914	 1.4268229477	 0.8301909756	 0.120756
+H	 0.4068663597	 2.3551196177	-2.0667534665	 0.098154
+H	 2.3771618134	 0.844860053	-2.4921176298	 0.117901
+H	 2.4307834812	 0.4159421874	-0.722777557	 0.11396
+H	 0.0363324106	-0.0230162692	-2.6565759317	 0.090346
+H	-0.2096202496	-1.7613721745	-0.9374281634	 0.109676
+H	 0.4380923958	-0.7316986428	 0.3197677706	 0.110887
+H	-2.19109117	-0.2301438688	-1.1727756826	 0.113623
+H	-2.0811727452	-1.0937065327	 0.3653157644	 0.120136
+19
+0 748	2.4851752	1.7041762	1.1582351	3.1466	74.76	-0.25856	-0.00688	0.25168	1080.6462	0.158441	-422.576066	-422.568166	-422.567222	-422.608642	30.487
+O	 0.6369497652	 3.5245700795	-0.1996894641	-0.294781
+C	 0.8922873666	 2.9833058656	 0.8355288452	 0.406516
+C	 1.638149843	 3.5911411316	 2.0004188481	-0.287902
+C	 3.0253374613	 2.9407280277	 2.2261219809	-0.206168
+C	 2.9917446577	 1.4263880091	 2.503702386	-0.218157
+C	 2.7256783186	 0.5739908458	 1.2689615122	-0.036675
+C	 1.6600402297	-0.5073851215	 1.3082400094	-0.333781
+C	 1.4214541997	 0.7473125599	 0.5340255803	 0.102914
+O	 0.5083559094	 1.6705294695	 1.0897686856	-0.256311
+H	 1.7480395907	 4.6624633428	 1.8170209402	 0.123143
+H	 1.0286163534	 3.450278355	 2.9007720987	 0.125922
+H	 3.6669056497	 3.1451830252	 1.3602450728	 0.11203
+H	 3.4855886066	 3.4518781692	 3.0788609375	 0.105994
+H	 3.9513969776	 1.1222703882	 2.9365789199	 0.103711
+H	 2.2346782736	 1.221975488	 3.2689294875	 0.105955
+H	 3.5969835778	 0.3805936322	 0.6490197996	 0.091632
+H	 1.8128989703	-1.4265809638	 0.7539002292	 0.119074
+H	 1.1085262099	-0.6199348205	 2.2352591318	 0.127298
+H	 1.4027210391	 0.7150414566	-0.5520467408	 0.109586
+19
+0 749	2.3775494	1.6801821	1.1881626	3.9392	74.84	-0.24092	-0.01424	0.22668	1077.9867	0.158431	-422.569449	-422.561436	-422.560492	-422.602343	30.424
+O	-0.0290801694	 1.8406075189	-3.2943630773	-0.299033
+C	-0.0929730973	 0.8080267537	-2.6695983222	 0.389313
+C	-1.4217640291	 0.1100762082	-2.4303925209	-0.286858
+C	-1.9303525668	 0.2646923605	-0.9831610977	-0.206897
+C	-1.2300811861	-0.6158737488	 0.0546858912	-0.240537
+C	 0.2260429638	-0.3117719065	 0.3421707305	 0.063546
+O	 0.6912741279	 1.0378093894	 0.1981845463	-0.249824
+C	 1.2854372949	 0.0237931694	-0.6219748421	 0.056335
+C	 1.1763661895	 0.1538293712	-2.12835037	-0.342529
+H	-2.1384502949	 0.5596981709	-3.121973677	 0.12222
+H	-1.330953686	-0.9571217282	-2.6728221347	 0.100343
+H	-1.8540332686	 1.3144466317	-0.6824343088	 0.131856
+H	-2.9950464203	 0.0094727848	-0.9732790308	 0.10546
+H	-1.7725432894	-0.5229426547	 1.0038519525	 0.112686
+H	-1.3079402062	-1.6744629599	-0.2312227588	 0.105275
+H	 0.5789524344	-0.7873056858	 1.261059549	 0.090255
+H	 2.298722509	-0.2415031862	-0.310677907	 0.096274
+H	 2.0145238713	 0.7556756786	-2.4909771741	 0.133099
+H	 1.2756578732	-0.8491674971	-2.5676939081	 0.119018
+19
+0 750	2.5718805	1.6027643	1.1206689	1.799	75.65	-0.23688	-0.01335	0.22353	1098.9771	0.158415	-422.561757	-422.553879	-422.552934	-422.594175	30.542
+O	 0.6530217318	 3.737243296	 0.3844556387	-0.308725
+C	 0.5689540121	 2.829814359	-0.4106020602	 0.382686
+C	-0.7713460387	 2.3873925164	-0.991909086	-0.292249
+C	-1.1849059004	 0.9417331569	-0.6525069139	-0.086625
+O	-0.2545073785	-0.0322968283	-1.1048422194	-0.245927
+C	 0.7753937207	-0.2678906317	-0.1914618949	 0.115986
+C	 2.1265284859	-0.5777870936	-0.7513723952	-0.335239
+C	 1.8833793826	 0.7524053321	-0.0634725472	-0.045457
+C	 1.7922612661	 2.0406548823	-0.8725237201	-0.314545
+H	-1.5405661679	 3.0755155679	-0.6290548392	 0.118611
+H	-0.7160889575	 2.4735592338	-2.0846005026	 0.119926
+H	-1.3501802638	 0.8393068629	 0.4295320134	 0.105314
+H	-2.1301820675	 0.7199518791	-1.1571490025	 0.115738
+H	 0.4545991747	-0.7897877075	 0.7107939771	 0.08919
+H	 2.7337564377	-1.3253815947	-0.2534151919	 0.118708
+H	 2.2174284499	-0.5626604965	-1.8320782327	 0.126706
+H	 2.2996807589	 0.8808456953	 0.9309539453	 0.103215
+H	 2.6849468222	 2.6521269797	-0.7200721211	 0.120593
+H	 1.7021006017	 1.8082916712	-1.9374835176	 0.112095
+19
+0 751	2.5778391	1.5788667	1.1476794	2.3474	75.09	-0.23266	-0.01451	0.21815	1093.4368	0.15844	-422.558074	-422.550113	-422.549168	-422.59094	30.517
+O	-1.3964514469	-0.4796047489	-2.4123579942	-0.30371
+C	-1.7632754466	 0.0742268252	-1.4040398868	 0.353549
+C	-1.1538761656	 1.4204015583	-0.9871600549	-0.17986
+O	-1.4681519477	 1.8330829236	 0.3238943427	-0.235626
+C	-0.7333630949	 1.1551109606	 1.329942703	-0.111919
+C	-1.2518613575	-0.2330474366	 1.6769795253	-0.018462
+C	-2.6588865209	-0.4710121031	 2.1580822828	-0.296085
+C	-2.2308123528	-1.0130190475	 0.8163011824	-0.024024
+C	-2.8374473201	-0.4590117653	-0.4746871046	-0.320035
+H	-0.0681054599	 1.3816370158	-1.1582995061	 0.121071
+H	-1.5639761087	 2.1811160267	-1.6628945445	 0.137185
+H	 0.3228314903	 1.0813405097	 1.0260587782	 0.096086
+H	-0.7739566612	 1.8012863391	 2.2138831369	 0.114177
+H	-0.4894575021	-0.841354136	 2.1580305048	 0.09003
+H	-2.8194877719	-1.1580164982	 2.9817515929	 0.113401
+H	-3.3382829977	 0.3760701353	 2.1395071049	 0.12093
+H	-2.0297702709	-2.0785083152	 0.7660678361	 0.100914
+H	-3.3878164643	-1.2452902365	-0.9959928837	 0.119312
+H	-3.5266045005	 0.359192873	-0.2426912552	 0.123066
+19
+0 752	2.4079773	1.730379	1.2960909	3.5351	74.29	-0.23483	-0.02986	0.20497	1034.7271	0.158928	-422.56833	-422.560535	-422.559591	-422.601207	29.645
+O	-0.0006351213	 0.0613938843	 1.7240743569	-0.312644
+C	-0.4030509528	 0.0359603231	 0.5841691112	 0.383819
+C	-0.7414198036	 1.3051264087	-0.1890616895	-0.29592
+C	-1.7000225332	 1.0882644183	-1.3781203808	-0.217849
+C	-2.7009653519	-0.0442965923	-1.0989992647	-0.227795
+C	-2.0052470873	-1.3950146482	-0.8997347185	-0.06042
+C	-1.1074491185	-1.841990373	-2.0713108984	-0.082178
+O	 0.081916325	-1.4150334255	-1.368359072	-0.295749
+C	-0.6554674095	-1.28566521	-0.1289167269	 0.029604
+H	-1.1589775016	 2.0041803246	 0.5433235581	 0.129173
+H	 0.2016869376	 1.7501372897	-0.5281792508	 0.13787
+H	-2.2380961106	 2.018042259	-1.5871857104	 0.102453
+H	-1.124085522	 0.8566240696	-2.2792009869	 0.119142
+H	-3.2827152042	 0.19733936	-0.1994008803	 0.105842
+H	-3.4215088086	-0.1267684865	-1.9214738582	 0.102843
+H	-2.7001494364	-2.1473248158	-0.5221733314	 0.084205
+H	-1.0987441515	-2.9244798347	-2.2524960741	 0.104961
+H	-1.233878888	-1.3202664558	-3.0268614308	 0.106388
+H	-0.4378853016	-2.1073664556	 0.5626481175	 0.086255
+19
+0 753	2.2655867	1.8660126	1.1478216	2.8644	74.22	-0.23965	-0.02242	0.21723	1075.2091	0.158485	-422.570866	-422.56297	-422.562025	-422.604073	29.781
+O	 0.0553205792	 0.1615334823	 1.6265504831	-0.315353
+C	-0.416607097	 0.1256914869	 0.5140105742	 0.373924
+C	-0.724414185	 1.40004872	-0.274133478	-0.298093
+C	-1.7294307523	 1.206114915	-1.4278866978	-0.219601
+C	-2.7815795473	 0.14879546	-1.0544051149	-0.23565
+C	-2.0829530735	-1.2031930006	-0.9590826247	 0.143812
+O	-2.6608598035	-2.129468239	-0.0145921992	-0.294147
+C	-1.411338215	-2.2679477319	 0.7016123237	-0.083115
+C	-0.747966963	-1.1883028594	-0.1728060266	-0.179192
+H	-1.094214132	 2.1278253187	 0.4558821953	 0.136086
+H	 0.228863645	 1.8017746448	-0.6406261491	 0.130177
+H	-2.2031390259	 2.162053115	-1.6694176129	 0.108744
+H	-1.206602501	 0.8870302737	-2.338957171	 0.103669
+H	-3.2249619633	 0.3860828463	-0.0794606378	 0.112599
+H	-3.5971019058	 0.1185451572	-1.7830943746	 0.105124
+H	-1.9994753804	-1.6614105755	-1.9544215022	 0.07594
+H	-1.5027315363	-2.0176244112	 1.7632236229	 0.124414
+H	-0.9918777638	-3.2756128805	 0.5991727118	 0.10294
+H	 0.1310726209	-1.5105450418	-0.7396185922	 0.107724
+19
+0 754	2.4482824	1.7385417	1.167414	1.9286	75.64	-0.23666	-0.01898	0.21768	1071.9862	0.158712	-422.569608	-422.561901	-422.560957	-422.601952	29.827
+O	 1.3004057723	-0.0793496562	 0.0750034375	-0.318794
+C	 0.1007981196	-0.035600941	-0.080213096	 0.369961
+C	-0.6798491644	 1.2715088413	-0.0603251801	-0.307875
+C	-1.8219189198	 1.2413633154	-1.0877598364	-0.09225
+O	-2.6877178975	 0.1511551775	-0.8288553553	-0.26142
+C	-2.0856104301	-1.1027507489	-1.0900192791	 0.099963
+C	-2.7107300979	-2.154775407	-0.1528713078	-0.236857
+C	-1.5483901918	-1.9059789625	 0.8464568144	-0.236436
+C	-0.7285438985	-1.2742373792	-0.3320041179	-0.098668
+H	-1.1204197034	 1.4017375398	 0.9364988421	 0.130978
+H	 0.0139927532	 2.0987271436	-0.2324193209	 0.121338
+H	-2.4310057434	 2.1468825885	-1.0209825311	 0.116259
+H	-1.417572033	 1.1837569438	-2.1115875402	 0.097514
+H	-2.0721900352	-1.3005083823	-2.1708607085	 0.069589
+H	-3.7284594411	-1.9409400519	 0.1780660316	 0.113902
+H	-2.6713327773	-3.1568390568	-0.5874450725	 0.107717
+H	-1.8132567759	-1.1662435258	 1.6047465532	 0.116378
+H	-1.0954522744	-2.7689260266	 1.3362844375	 0.113654
+H	-0.0938239613	-2.0310638619	-0.7983703701	 0.095045
+19
+0 755	2.4629131	1.730039	1.2575621	2.5252	74.67	-0.22933	-0.02037	0.20896	1041.1532	0.15876	-422.564543	-422.556779	-422.555834	-422.597093	29.749
+O	 0.3656747269	 0.1668654069	-1.5480015841	-0.316652
+C	-0.2704395034	 0.0207931338	-0.5298598129	 0.347904
+C	-0.7053406681	 1.2344958548	 0.2987886323	-0.182846
+O	-1.4249248451	 0.9076836156	 1.4701360682	-0.24542
+C	-2.5159756786	 0.0404437827	 1.1845570487	-0.103111
+C	-2.0244562427	-1.3610865723	 0.8396047403	-0.033401
+C	-1.2765672073	-2.091238674	 1.9919260363	-0.218978
+C	 0.0781334	-1.7867974212	 1.3035945739	-0.22887
+C	-0.6877611791	-1.3224685436	 0.014122219	-0.096093
+H	 0.1831777838	 1.7946041881	 0.6057932653	 0.140564
+H	-1.2946927381	 1.8904764793	-0.3642532795	 0.120708
+H	-3.1419065444	 0.0253820299	 2.0827003349	 0.113208
+H	-3.1186934592	 0.4559021054	 0.3592476951	 0.091446
+H	-2.8339616654	-1.9303256195	 0.374047211	 0.076669
+H	-1.4140445042	-1.6691814653	 2.9906487468	 0.107113
+H	-1.5056470431	-3.1587902063	 2.0327363565	 0.104435
+H	 0.624254542	-0.9731833049	 1.7848542833	 0.119473
+H	 0.7607115848	-2.6250952747	 1.1535847052	 0.111143
+H	-0.6353677089	-2.0586337847	-0.7888635201	 0.092709
+19
+0 756	2.493583	1.7208835	1.2515932	4.5988	74.32	-0.25114	0.01332	0.26446	1042.9241	0.159679	-422.589942	-422.582312	-422.581367	-422.62225	29.392
+O	 0.2798248887	 0.1974265132	-1.5792844667	-0.337325
+C	-0.3187165463	 0.0778931368	-0.5437926155	 0.404313
+O	-0.5815391112	 1.1884721174	 0.1958908278	-0.228165
+C	-1.3030126965	 1.0796861586	 1.4331972009	-0.076254
+C	-2.4971066443	 0.1412830863	 1.3108936734	-0.237574
+C	-2.0449225035	-1.2676775828	 0.9360392317	-0.016907
+C	-1.2272245376	-2.0359527936	 2.0169604578	-0.228189
+C	 0.0693319017	-1.8325485127	 1.1889852764	-0.238016
+C	-0.7821439513	-1.251096324	 0.0073653574	-0.129922
+H	-0.6181855636	 0.7542376251	 2.2268100465	 0.112992
+H	-1.6165094336	 2.0997912241	 1.6664358855	 0.12567
+H	-3.0543582914	 0.1341377951	 2.2551309645	 0.107511
+H	-3.1670085504	 0.5391520946	 0.5393849868	 0.116269
+H	-2.8839417952	-1.8346986179	 0.5269319263	 0.079388
+H	-1.2315064768	-1.5950640334	 3.0181592144	 0.099899
+H	-1.5225806768	-3.0833429302	 2.1109536098	 0.10946
+H	 0.7655190656	-1.11029768	 1.6223569343	 0.116923
+H	 0.6325476655	-2.7327858218	 0.9385045121	 0.1166
+H	-0.8399597832	-1.9381441447	-0.8360257433	 0.103326
+19
+0 757	2.1115057	1.8851846	1.3013557	2.3467	76.7	-0.24964	0.00302	0.25266	1042.8972	0.158643	-422.594245	-422.586201	-422.585256	-422.626597	31.057
+O	-2.4297070844	 1.8874706509	 2.4713228531	-0.333365
+C	-1.512497052	 1.1993764148	 2.1180285916	 0.433874
+C	-0.0417005167	 1.455581409	 2.3750072185	-0.300385
+C	 0.6836357802	 1.4974086452	 0.9995480742	-0.252815
+C	-0.0401449137	 2.3846972658	 0.0130531827	-0.041997
+C	-1.0353764224	 2.0384108731	-0.8112281412	-0.049242
+C	-1.6562188373	 0.6680750683	-0.9924232426	-0.249782
+C	-2.5182543863	 0.2167258237	 0.1993327943	-0.091867
+O	-1.6531016333	 0.0875721049	 1.3359441342	-0.24479
+H	 0.046621759	 2.4006592414	 2.914964935	 0.126341
+H	 0.3842024041	 0.6595315911	 2.9955244436	 0.126431
+H	 1.7073869585	 1.8549949418	 1.1497612533	 0.103998
+H	 0.7445743434	 0.4745997579	 0.6188928876	 0.12029
+H	 0.2511705918	 3.4334009773	 0.0275822019	 0.089477
+H	-1.4761650453	 2.8299185339	-1.4132885715	 0.092349
+H	-2.2788064757	 0.6617152011	-1.8938010362	 0.104587
+H	-0.87930386	-0.092151176	-1.1393514177	 0.119833
+H	-3.3202531908	 0.9242798057	 0.4261413803	 0.134397
+H	-2.9499338092	-0.7706166997	 0.0164532088	 0.112666
+19
+0 758	2.3424147	1.599087	1.0851562	1.9102	76.77	-0.23375	-0.02826	0.20549	1131.906	0.157548	-422.56058	-422.552	-422.551056	-422.594628	31.66
+O	-1.6266325669	-3.3339843141	-1.4852633323	-0.302181
+C	-0.6192630738	-2.681326324	-1.3367046933	 0.334822
+C	 0.2467869843	-2.2652085291	-2.5201479015	-0.271889
+C	-0.2336093015	-0.9335332136	-3.1792236606	-0.266366
+C	 0.4428130769	 0.3274548067	-2.69040031	-0.037242
+C	 0.4853709814	 0.7873167448	-1.4394677704	-0.054147
+C	-0.1342199782	 0.1021231757	-0.2476163973	-0.133759
+O	 0.5926179348	-1.0834285799	 0.1058401726	-0.239335
+C	-0.1715356122	-2.2619116588	 0.0690244095	-0.175796
+H	 1.2935998377	-2.1701506882	-2.2219505876	 0.121658
+H	 0.1512618473	-3.069626057	-3.254299658	 0.122914
+H	-0.0631272848	-1.0167370945	-4.2556079187	 0.113333
+H	-1.3230283903	-0.8584514995	-3.0604741793	 0.129
+H	 0.9531741792	 0.9068125763	-3.4568786356	 0.095174
+H	 1.0243775799	 1.709890229	-1.2416755642	 0.093648
+H	-0.1286640992	 0.769342828	 0.6219793948	 0.109183
+H	-1.1841044941	-0.1509041572	-0.4526663484	 0.111162
+H	 0.471597411	-3.0617318402	 0.4595064122	 0.131945
+H	-1.0637770815	-2.2132093544	 0.7096084281	 0.117875
+19
+0 759	2.0041665	1.9519726	1.2607282	2.2432	76.95	-0.24898	0.00652	0.2555	1062.8362	0.158472	-422.587418	-422.579202	-422.578258	-422.620414	31.047
+O	-1.9926208799	 0.1261242245	 1.2866824958	-0.341645
+C	-1.9518736097	-0.155408021	 0.1199888057	 0.431959
+C	-3.0010314503	 0.1311981652	-0.9224431361	-0.308581
+C	-2.3425959002	 0.8823717271	-2.098964512	-0.200814
+C	-1.5252084064	 2.1310606076	-1.7084543449	-0.25203
+C	-0.1166630245	 2.0748251908	-1.1335148228	-0.039368
+C	 0.6477532665	 1.1869112762	-0.4889636169	-0.058818
+C	 0.3900723557	-0.2196073315	-0.0308483138	-0.144932
+O	-0.8656864307	-0.7065781323	-0.4935555852	-0.236266
+H	-3.4338471051	-0.8087524353	-1.2828414417	 0.127945
+H	-3.7978418061	 0.7137759389	-0.4536103938	 0.124427
+H	-1.7100826227	 0.1881223855	-2.65707846	 0.120527
+H	-3.1380198117	 1.2086834452	-2.778331612	 0.098412
+H	-1.4384799072	 2.7454817507	-2.6136320605	 0.11076
+H	-2.1266581838	 2.7478997828	-1.0217684618	 0.123526
+H	 0.3679785995	 3.0417242816	-1.2711979418	 0.09152
+H	 1.6413805466	 1.5293097352	-0.2002458358	 0.090618
+H	 1.1456296931	-0.903897412	-0.4307333999	 0.122518
+H	 0.433206767	-0.2718264391	 1.0641316975	 0.140242
+19
+0 760	2.1704188	1.584109	1.1003074	1.9798	75.25	-0.2408	-0.03697	0.20382999999999998	1139.2309	0.157619	-422.610048	-422.601544	-422.6006	-422.643808	31.628
+O	-3.090772544	 1.9263356784	-0.0016695408	-0.304577
+C	-2.1625306442	 1.4013327982	 0.5669614667	 0.373629
+C	-2.3399744673	 0.7139841269	 1.9144038353	-0.288748
+C	-2.6678830561	-0.7873840906	 1.7296219198	-0.198117
+C	-1.494192858	-1.6602271802	 1.2623761276	-0.19815
+C	-0.8413116838	-1.2272321208	-0.072574597	-0.288795
+C	-0.0242070547	 0.045070358	 0.1092748255	 0.37367
+O	 1.1514824705	 0.0067956557	 0.3865180019	-0.304526
+C	-0.7632878646	 1.3739926901	-0.0478662097	-0.392034
+H	-1.4374509762	 0.8250501613	 2.5280702834	 0.112889
+H	-3.1726919554	 1.2057472519	 2.4233506458	 0.126527
+H	-3.0329556289	-1.1783068073	 2.6853457191	 0.110082
+H	-3.5012730101	-0.8726360927	 1.0213582105	 0.119064
+H	-0.7154002446	-1.6826811182	 2.0346669825	 0.119035
+H	-1.8495421859	-2.6902413214	 1.1514615235	 0.110105
+H	-0.1557758194	-2.0086686352	-0.409719551	 0.126518
+H	-1.6155883256	-1.084698624	-0.8365562793	 0.112966
+H	-0.1476711305	 2.1536070177	 0.4144067199	 0.145224
+H	-0.8631789613	 1.6105233223	-1.1130260935	 0.145241
+19
+0 761	2.3765991	1.7098504	1.1674654	2.8146	75.22	-0.23799	-0.02753	0.21046	1089.6871	0.157867	-422.572094	-422.563976	-422.563031	-422.604895	31.006
+O	 1.1866352918	 0.0230465565	 0.208290723	-0.305314
+C	-0.0036563607	 0.0184573564	 0.0014071612	 0.33914
+C	-0.8437475484	 1.2821679753	-0.0705010876	-0.3027
+C	-1.8909108941	 1.2430432127	-1.1996749145	-0.207942
+C	-2.7481880411	-0.0270225509	-1.1231804153	-0.200465
+C	-1.8710714044	-1.2850123825	-1.209658156	-0.291879
+C	-0.7961086578	-1.278726977	-0.1426981276	 0.330254
+C	-0.2035522323	-2.5047598959	 0.3911765206	-0.234824
+O	-1.1866684251	-1.7873555032	 1.1523465634	-0.279072
+H	-1.3664787405	 1.3532974196	 0.8949303505	 0.136937
+H	-0.1740793483	 2.1423116106	-0.1455695661	 0.120869
+H	-2.5205327303	 2.1367811001	-1.1423213242	 0.105818
+H	-1.3814094036	 1.2824983241	-2.171563207	 0.105993
+H	-3.3042589355	-0.0403001877	-0.1772654786	 0.113492
+H	-3.4900544148	-0.033802828	-1.9282516232	 0.09966
+H	-2.469743013	-2.1951400518	-1.1025022985	 0.110623
+H	-1.3873044515	-1.3264038693	-2.195556378	 0.108226
+H	-0.5358209796	-3.4652688135	 0.0002001884	 0.113239
+H	 0.8080982792	-2.4699619754	 0.7866570797	 0.137946
+19
+0 762	2.4604669	1.7386654	1.1610917	2.593	76.27	-0.2307	-0.019	0.2117	1084.1719	0.157473	-422.5674	-422.559278	-422.558333	-422.600168	31.314
+O	 0.9085593954	 0.0488340012	-0.7470129831	-0.326423
+C	-0.1841274133	 0.057866354	-0.2223274868	 0.326439
+C	-0.8737385885	 1.3614578824	 0.1698986125	-0.314341
+C	-1.9899631117	 1.1953822872	 1.2105931534	-0.215449
+C	-2.8155742953	-0.0470516328	 0.8907387459	-0.089869
+O	-1.9883008649	-1.2026102285	 0.932948115	-0.297776
+C	-0.9766125056	-1.2052922429	-0.0351073834	 0.327216
+C	-1.2142874119	-2.0291370037	-1.3051534659	-0.309732
+C	-0.2861203545	-2.5201645658	-0.2313051209	-0.310081
+H	-0.1057878584	 2.0770942256	 0.4750219008	 0.129701
+H	-1.30158511	 1.7502296854	-0.7657669175	 0.133711
+H	-1.5608714191	 1.0731757813	 2.2113536315	 0.116923
+H	-2.6281207739	 2.0855499918	 1.2351785649	 0.102389
+H	-3.5980505879	-0.211916669	 1.6360256726	 0.110822
+H	-3.2966693082	 0.045845189	-0.0969056134	 0.090612
+H	-2.1924260128	-2.4906502559	-1.3798602037	 0.124119
+H	-0.7851004263	-1.6639127747	-2.2310213497	 0.13118
+H	-0.6317797466	-3.3258181162	 0.4055293591	 0.128217
+H	 0.7797915536	-2.4752766885	-0.4189275613	 0.142343
+19
+0 763	2.4713359	1.6851604	1.1454078	1.6049	75.86	-0.24315	-0.01848	0.22467	1091.1647	0.158138	-422.568407	-422.560356	-422.559412	-422.601108	30.888
+O	 1.0753058657	-0.0218690848	 0.5715430537	-0.326556
+C	-0.0674003249	 0.0075598631	 0.1690503996	 0.309467
+C	-0.7867525754	 1.3193997991	-0.123841062	-0.306782
+C	-1.8726157204	 1.1798103936	-1.1983898012	-0.095182
+O	-2.7376128584	 0.0971813245	-0.9085285129	-0.234567
+C	-2.0475716318	-1.1349654301	-0.9858537401	-0.175971
+C	-0.9049844539	-1.2302620594	 0.0153906328	 0.230757
+C	-1.1020894811	-2.0166382581	 1.3105695462	-0.284157
+C	-0.2257628822	-2.5595996802	 0.225674366	-0.301847
+H	-1.2646143338	 1.6250577895	 0.8166076936	 0.137411
+H	-0.0462901392	 2.0823182145	-0.3794232856	 0.123424
+H	-2.4943346859	 2.0779745839	-1.2420365711	 0.114857
+H	-1.4114744483	 1.04111532	-2.1908729067	 0.095565
+H	-2.7851835253	-1.9227575204	-0.8049629153	 0.108645
+H	-1.652497688	-1.2737837582	-2.007408295	 0.093847
+H	-0.6222464932	-1.6284711575	 2.2019387593	 0.133429
+H	-2.0800590948	-2.4591131195	 1.4695489913	 0.12069
+H	 0.8465755626	-2.525601234	 0.377617667	 0.141964
+H	-0.5908705417	-3.3974890859	-0.3594476094	 0.115007
+19
+0 764	2.5373731	1.6490624	1.131001	2.7472	75.73	-0.2322	-0.02048	0.21172	1096.2575	0.157945	-422.566535	-422.558455	-422.557511	-422.599326	31.001
+O	 0.7749945335	 0.0936034691	-0.9477111752	-0.326763
+C	-0.2352260113	 0.0384055698	-0.2788154176	 0.300975
+C	-0.8588028588	 1.3257754315	 0.2678144855	-0.181109
+O	-1.7326875911	 1.1626741376	 1.3630641177	-0.242819
+C	-2.7108534167	 0.1613822875	 1.1306167055	-0.085143
+C	-2.0426917315	-1.2093167179	 1.0573555665	-0.298401
+C	-0.9874182539	-1.2357809062	-0.0402754331	 0.233353
+C	-1.2532527438	-2.0268612424	-1.3274675286	-0.282957
+C	-0.2432210982	-2.5178673516	-0.3451538096	-0.297838
+H	-0.0553104345	 1.9972152283	 0.5792184806	 0.139652
+H	-1.3787904196	 1.8029430445	-0.5838314467	 0.115498
+H	-3.411641793	 0.2163209498	 1.9679814566	 0.111801
+H	-3.2685013453	 0.375632222	 0.2029541177	 0.089391
+H	-1.5752731288	-1.4094418988	 2.0293454606	 0.115266
+H	-2.790508111	-1.9933574223	 0.8906340822	 0.097744
+H	-2.2108609757	-2.5321537341	-1.3956890773	 0.117384
+H	-0.888432807	-1.5932131968	-2.2513612103	 0.136092
+H	-0.4909481074	-3.3783715816	 0.2670854868	 0.116017
+H	 0.8027305542	-2.4089993684	-0.6067743914	 0.141856
+19
+0 765	2.5143049	1.7149447	1.153686	4.36	75.77	-0.2586	0.01444	0.27304	1085.0683	0.158805	-422.591628	-422.583668	-422.582724	-422.62429	30.605
+O	 0.781514619	 0.0867232824	-0.9690487571	-0.34877
+C	-0.1445287986	 0.0515683256	-0.1984259832	 0.393472
+O	-0.5024880762	 1.1987007309	 0.4287338668	-0.236688
+C	-1.5267548395	 1.2495709955	 1.4355561622	-0.056901
+C	-2.6251976359	 0.2192779007	 1.2309052329	-0.231761
+C	-1.9819660419	-1.1651592705	 1.1657873799	-0.298599
+C	-0.9532501816	-1.1912316776	 0.0482636076	 0.174657
+C	-1.2657926999	-1.960479006	-1.2359623349	-0.280868
+C	-0.2457023231	-2.490144495	-0.2824947718	-0.295299
+H	-1.0497984341	 1.1066155601	 2.4145698386	 0.112872
+H	-1.9116655614	 2.2719164967	 1.3969586746	 0.122214
+H	-3.3403352103	 0.2926238104	 2.0569563996	 0.107156
+H	-3.1683602012	 0.4327176369	 0.3027358238	 0.115678
+H	-1.4986852673	-1.3813704135	 2.1285269802	 0.106057
+H	-2.7294705501	-1.9494226192	 1.0083606442	 0.10241
+H	-2.2362053559	-2.4428712411	-1.2863929673	 0.114147
+H	-0.9089297649	-1.5265732726	-2.1618271967	 0.142217
+H	-0.5038125388	-3.3482061418	 0.3292736838	 0.11296
+H	 0.7956656616	-2.410587162	-0.5685764931	 0.145044
+19
+0 766	2.2020906	1.7707288	1.2147236	2.6388	75.14	-0.24386	-0.02626	0.2176	1072.0757	0.158658	-422.571405	-422.563508	-422.562564	-422.60383	30.393
+O	-1.2181531089	-0.1304632582	 2.5277283119	-0.311179
+C	-0.9628691713	 0.1163606686	 1.3688987131	 0.357898
+C	-1.9773509344	-0.0475844474	 0.2550395037	-0.292197
+C	-1.7122047544	-1.2832345805	-0.6303585853	-0.205832
+C	-0.4840667354	-1.1856480868	-1.5444941935	-0.192616
+C	 0.8856960455	-1.2437245006	-0.8532624899	-0.246139
+C	 1.2704859237	-0.0527814698	 0.002882803	 0.068647
+O	 0.6570154121	 1.2066055487	-0.2501718555	-0.243123
+C	 0.4190020629	 0.598771158	 1.0261960239	-0.051457
+H	-2.9535978195	-0.1406370168	 0.7371753325	 0.118517
+H	-1.973582834	 0.8514194469	-0.3712489618	 0.12462
+H	-1.6372929543	-2.1748063692	 0.0059323933	 0.108029
+H	-2.5974189096	-1.4306227118	-1.2586980819	 0.107785
+H	-0.5224738626	-2.0168971163	-2.2575745167	 0.099454
+H	-0.5435637573	-0.2650896679	-2.1357428412	 0.116427
+H	 0.965694174	-2.1488183648	-0.2354998973	 0.114756
+H	 1.6551350455	-1.34291642	-1.628752095	 0.112093
+H	 2.342484404	 0.0173659963	 0.1991069052	 0.10248
+H	 0.9194829239	 1.0715518915	 1.8704011313	 0.111838
+19
+0 767	2.1556624	1.9754336	1.2297877	3.2869	75.45	-0.24164	-0.01521	0.22643	1047.5512	0.158291	-422.561203	-422.55336	-422.552416	-422.593465	30.514
+O	 0.0637214807	-1.1648774862	 2.6241612522	-0.30755
+C	 0.4087000522	-1.5235177144	 1.5235439757	 0.366094
+C	-0.4546462329	-2.429948371	 0.6569728731	-0.28989
+C	-1.3474412598	-1.5714947008	-0.270531173	-0.196863
+C	-0.5976044324	-0.6645352236	-1.2492198939	-0.071528
+O	 0.1853866126	 0.3363786967	-0.5977407627	-0.245399
+C	 1.4819729226	-0.0764787098	-0.2946750992	 0.111675
+C	 2.0693229963	 0.4049208331	 0.997548722	-0.322486
+C	 1.6748107404	-1.0410987866	 0.85458293	-0.154126
+H	 0.1775794978	-3.0911903371	 0.0520736979	 0.100813
+H	-1.0862419939	-3.0405954497	 1.3076178889	 0.119641
+H	-1.9934550509	-2.2387720808	-0.8538094305	 0.103581
+H	-2.0026160799	-0.9492392493	 0.3491537042	 0.127421
+H	 0.03578097	-1.2597445007	-1.9244337851	 0.09063
+H	-1.3222900916	-0.1237899287	-1.866585724	 0.112273
+H	 2.134789997	-0.173049514	-1.1631922387	 0.087183
+H	 3.1210061314	 0.6663567696	 1.0201772973	 0.116536
+H	 1.4281629824	 1.0092554952	 1.6293335081	 0.144565
+H	 2.442917098	-1.8024131018	 0.7428189777	 0.10743
+19
+0 768	2.2167279	1.8881572	1.2127453	3.0296	75.19	-0.23876	-0.0188	0.21996	1053.3318	0.158556	-422.557638	-422.549702	-422.548758	-422.590435	30.439
+O	 1.0975255658	-3.8566580596	 0.5451876082	-0.310481
+C	 1.2802191939	-2.6747747187	 0.3671956692	 0.377891
+C	 2.0085968083	-2.149818788	-0.8653789096	-0.33336
+C	 3.3984115621	-1.5648047184	-0.5527937747	-0.071378
+O	 3.4568293863	-0.7739483239	 0.6207075384	-0.242707
+C	 2.4699406643	 0.2362821032	 0.7311993734	-0.117745
+C	 1.2375763555	-0.246828028	 1.4825181163	-0.036672
+C	 1.4251890701	-1.2491662166	 2.5901785624	-0.276963
+C	 0.7042463756	-1.6494438836	 1.3184551376	-0.115413
+H	 2.1216708149	-2.9712289686	-1.5779143559	 0.12347
+H	 1.3776803066	-1.3804913396	-1.326651087	 0.1172
+H	 4.1093633254	-2.3782159427	-0.3812360813	 0.12604
+H	 3.7494343709	-0.9880069858	-1.4226842406	 0.097742
+H	 2.9305529997	 1.0574985909	 1.2931073575	 0.114036
+H	 2.1999527448	 0.6341930214	-0.2589830908	 0.094602
+H	 0.4971861849	 0.5343810971	 1.6366640548	 0.086277
+H	 2.4295306766	-1.6312723487	 2.7304769135	 0.137821
+H	 0.8348892071	-1.1612164554	 3.4947671335	 0.116093
+H	-0.3687926229	-1.783417975	 1.427222975	 0.113545
+19
+0 769	2.2084813	1.8866086	1.2104365	2.39	74.74	-0.23565	-0.02156	0.21409	1055.1923	0.158095	-422.557786	-422.549869	-422.548925	-422.590354	30.629
+O	-0.2546369647	 0.2544500823	-3.3923473208	-0.304218
+C	 0.843220131	 0.0575844557	-2.9294531658	 0.312607
+C	 1.464432529	-1.3515348989	-2.9975170071	-0.179353
+O	 2.6431037601	-1.5209673193	-2.2498845834	-0.22455
+C	 2.458339238	-1.6172573215	-0.844578009	-0.06972
+C	 1.6831472105	-0.4335609166	-0.2339537414	-0.270684
+C	 2.1098242888	 0.8859276327	-0.8430987278	 0.01768
+C	 1.0899622676	 1.9559716044	-1.163474788	-0.316999
+C	 1.6821614734	 1.1270744339	-2.2692119682	-0.091089
+H	 0.6801324352	-2.0749461488	-2.7252026783	 0.118038
+H	 1.7278917536	-1.5446467565	-4.0443711551	 0.138351
+H	 1.9536879339	-2.5629101698	-0.5893962846	 0.093526
+H	 3.4725178488	-1.659765573	-0.4351632562	 0.112038
+H	 0.6065332673	-0.5742065892	-0.3954933608	 0.114821
+H	 1.8257077735	-0.442836818	 0.8529180233	 0.106369
+H	 3.1077656748	 1.2203865824	-0.57313734	 0.087804
+H	 0.0523717778	 1.7728729339	-0.9029387541	 0.126439
+H	 1.3922167271	 2.994210831	-1.0851236422	 0.116543
+H	 2.3988891544	 1.5906927252	-2.9421807706	 0.112398
+19
+0 770	2.317896	1.8871941	1.2832441	3.0438	74.33	-0.26213	-0.00841	0.25371999999999995	1027.0487	0.158754	-422.57615	-422.568346	-422.567402	-422.608326	30.377
+O	 2.4114188225	 0.318165119	 0.4847129468	-0.316081
+C	 2.0924548103	 0.1448082741	-0.6579093008	 0.394111
+O	 3.006568597	-0.135203219	-1.6510507639	-0.253696
+C	 3.5363109155	-1.4710554034	-1.5418904976	-0.088661
+C	 2.4908974798	-2.5420796486	-1.8766263055	-0.19377
+C	 1.2194971158	-2.502040339	-0.9952985008	-0.238818
+C	 0.2574150245	-1.3810344294	-1.373199354	 0.004918
+C	-0.3907452201	-0.4881804523	-0.3365432767	-0.316368
+C	 0.7031448638	 0.0607875169	-1.2015773834	-0.113971
+H	 4.3693526371	-1.5110283799	-2.2471986508	 0.116609
+H	 3.9320419513	-1.6153661649	-0.5285630089	 0.120181
+H	 2.2087913511	-2.4534178622	-2.932738824	 0.106563
+H	 2.9828240723	-3.5160320047	-1.7610164902	 0.101817
+H	 0.6946907556	-3.4604691331	-1.074426568	 0.101136
+H	 1.5124032959	-2.4042843711	 0.0570640162	 0.118743
+H	-0.3230318547	-1.5776034598	-2.2705196813	 0.092227
+H	-1.4042853605	-0.1451199406	-0.5118456858	 0.116526
+H	-0.1463222949	-0.6616729707	 0.7061188343	 0.134397
+H	 0.4796658778	 0.7483019088	-2.0099025357	 0.114136
+19
+0 771	2.4771185	1.547076	1.0676742	4.3424	77.48	-0.24585	-0.00841	0.23744	1141.6541	0.158811	-422.589323	-422.581221	-422.580277	-422.621949	31.066
+O	 1.9323761284	-1.5236575876	-0.4704343451	-0.316191
+C	 1.2315044791	-0.9065175203	 0.2834526769	 0.410572
+C	 1.7552919495	 0.2371482276	 1.151236832	-0.382593
+C	 1.4765046407	 1.5405846455	 0.4394947117	-0.052416
+C	 0.3555834092	 2.2485628735	 0.5682198006	-0.040896
+C	-0.7994092575	 1.905651081	 1.4781810217	-0.259908
+C	-1.6297026681	 0.671376245	 1.0588417776	-0.196097
+C	-1.003126544	-0.7031990361	 1.3134515414	-0.07361
+O	-0.0986638273	-1.1711574275	 0.3034730305	-0.22021
+H	 1.3026451517	 0.2300491396	 2.1464246482	 0.114888
+H	 2.8280717942	 0.0730960494	 1.2594221801	 0.133099
+H	 2.2357368346	 1.8608238478	-0.2681450204	 0.107807
+H	 0.2449487642	 3.1465981294	-0.0347128453	 0.095465
+H	-0.4393340103	 1.7487974823	 2.5048769662	 0.109138
+H	-1.474763677	 2.7652464081	 1.5291451102	 0.1075
+H	-2.5667509246	 0.6868219847	 1.6298450345	 0.104697
+H	-1.9064853241	 0.7380636793	 0.0009121368	 0.121871
+H	-0.5315459079	-0.7461520711	 2.3022623149	 0.110522
+H	-1.7972993709	-1.4547714207	 1.3048864474	 0.126362
+19
+0 772	2.06808	1.8380276	1.1569154	3.1364	77.03	-0.2366	-0.01956	0.21704	1096.6696	0.157658	-422.559112	-422.550576	-422.549631	-422.592741	31.583
+O	 1.9786244862	-0.8492756953	 0.5250913695	-0.305469
+C	 1.2609943981	-0.4530663345	-0.3600647781	 0.41016
+C	 0.1687697871	-1.3414149283	-0.9581179653	-0.337766
+C	-1.0888107192	-1.4039121046	-0.0651556294	-0.057372
+O	-1.4774995297	-0.1703955092	 0.5030315742	-0.245024
+C	-1.6471301568	 0.9348566844	-0.3869313166	-0.133028
+C	-0.6937755388	 2.041040398	-0.0054529207	-0.047367
+C	 0.6229154743	 2.0274131024	-0.216529257	-0.039314
+C	 1.4229993792	 0.9633609522	-0.9458014024	-0.356144
+H	-0.0874761277	-1.004457496	-1.9663450698	 0.107542
+H	 0.5701541693	-2.3564514783	-1.0384354394	 0.12978
+H	-1.9110540012	-1.8546063904	-0.6443055096	 0.093042
+H	-0.8850458877	-2.050524993	 0.7926546456	 0.130412
+H	-1.4929951848	 0.6281902318	-1.4295482029	 0.098673
+H	-2.6847620577	 1.2790978978	-0.3056733663	 0.106842
+H	-1.1180064997	 2.8781285814	 0.5423403476	 0.096505
+H	 1.2115761634	 2.8523585276	 0.1757650772	 0.102581
+H	 1.1500367239	 0.9507733568	-2.0079922948	 0.11692
+H	 2.4851011917	 1.2085698674	-0.8771106118	 0.129028
+19
+0 773	2.5034173	1.5170083	1.0564958	2.8652	78.1	-0.23151	-0.02396	0.20754999999999998	1147.4389	0.157803	-422.568612	-422.560291	-422.559347	-422.601737	31.502
+O	-2.3368122123	-0.5499576099	 2.3691259333	-0.295616
+C	-1.6511342271	 0.4376129158	 2.4702644176	 0.352622
+C	-1.8466722812	 1.6018652708	 1.4824920185	-0.171932
+O	-1.2409377968	 2.8186771375	 1.8460775917	-0.239973
+C	 0.0153210007	 3.143766925	 1.2745975716	-0.065619
+C	 1.2113705458	 2.7727944216	 2.1729391281	-0.256369
+C	 1.5234608137	 1.2989592316	 2.2357062431	-0.053681
+C	 0.7818405625	 0.3621661761	 2.8307136447	-0.063037
+C	-0.5449831064	 0.590141257	 3.5134688485	-0.343397
+H	-1.5140425095	 1.2588282769	 0.4916229606	 0.124893
+H	-2.9276476682	 1.7702372269	 1.4170497195	 0.136768
+H	 0.1194974086	 2.6766768016	 0.2847729747	 0.097728
+H	 0.0064734511	 4.2304863397	 1.1326591705	 0.10824
+H	 2.0864865597	 3.3151915434	 1.7982151052	 0.10283
+H	 1.0027844766	 3.1735194193	 3.1729532878	 0.122265
+H	 2.4345642582	 0.9801581873	 1.7344459406	 0.092594
+H	 1.1025135269	-0.67501135	 2.7750556338	 0.102647
+H	-0.7191203743	-0.1522797281	 4.294828639	 0.121277
+H	-0.6001122978	 1.5978216076	 3.9354048614	 0.127758
+19
+0 774	2.2922562	1.5779271	1.0326986	4.7904	75.58	-0.23052	-0.06045	0.17007	1166.5539	0.157679	-422.592973	-422.584296	-422.583352	-422.626978	31.806
+O	-0.4759770816	 2.275246568	 0.6382170436	-0.280159
+C	-0.7293626607	 1.3720989657	-0.1211346587	 0.309994
+C	-1.6960751674	 1.5284672495	-1.2835929942	-0.305834
+C	-2.9525359806	 0.6402418879	-1.1241018332	-0.21079
+C	-2.8152566744	-0.7995887522	-1.6534862534	-0.189419
+C	-1.4763032592	-1.5047187321	-1.3669226053	-0.210791
+C	-0.8898623506	-1.2666988741	 0.0446301557	-0.305828
+C	-0.0467140403	-0.0038377473	 0.112256414	 0.309989
+O	 1.1398052285	-0.0266089858	 0.3316530639	-0.280157
+H	-1.9702857519	 2.5859911648	-1.3086123985	 0.128291
+H	-1.1823749405	 1.2919969178	-2.2249632775	 0.119659
+H	-3.2408487012	 0.6284794906	-0.0659716334	 0.112526
+H	-3.7848268795	 1.1224903208	-1.6460166203	 0.114712
+H	-3.6327648586	-1.3947181891	-1.2296411559	 0.106314
+H	-2.9717451213	-0.7999391403	-2.7386810815	 0.106311
+H	-1.6159488264	-2.5812315789	-1.5058070109	 0.114707
+H	-0.7267288075	-1.2105296658	-2.1115690946	 0.112516
+H	-1.6982562956	-1.2105711637	 0.7858107177	 0.119667
+H	-0.2284833712	-2.0875955358	 0.3325229924	 0.128292
+19
+0 775	2.0529214	1.8371059	1.1781841	3.7327	78.1	-0.2348	-0.01968	0.21512	1096.1152	0.157651	-422.566053	-422.557644	-422.556699	-422.59945	31.404
+O	-0.3063137588	 2.6980531853	-0.5155631306	-0.314724
+C	-0.6078054585	 1.5337289171	-0.6511290411	 0.358926
+C	-1.814863352	 0.9380327404	 0.0766159424	-0.287741
+C	-1.4752465584	 0.3685308106	 1.4660265826	-0.194965
+C	-0.4468641191	-0.7525483483	 1.411299531	-0.070647
+O	 0.801140857	-0.2200466499	 0.982661161	-0.239646
+C	 1.4073056143	-0.8502194923	-0.1197463951	-0.140363
+C	 0.9450382048	-0.3336667666	-1.4538310545	-0.039231
+C	 0.1049435697	 0.6765988288	-1.6661140329	-0.166465
+H	-2.5409639565	 1.7484955856	 0.1901529867	 0.122168
+H	-2.2653177408	 0.1513290632	-0.5401521627	 0.100684
+H	-1.0849881608	 1.1712711128	 2.1011111128	 0.129437
+H	-2.391541171	-0.0047426212	 1.9381132435	 0.099797
+H	-0.3129028267	-1.1975954858	 2.4068988621	 0.102834
+H	-0.7822388853	-1.5491401158	 0.7323279618	 0.09519
+H	 2.4873244312	-0.6698788011	-0.0276741528	 0.128574
+H	 1.2754066388	-1.9443801668	-0.0751785088	 0.103681
+H	 1.4054896226	-0.8248417912	-2.310313845	 0.095336
+H	-0.0832586704	 0.9929296753	-2.6906081504	 0.117156
+19
+0 776	2.448924	1.5279527	1.0763408	2.523	78.06	-0.23652	-0.03544	0.20108	1142.0971	0.157779	-422.564284	-422.555902	-422.554957	-422.597643	31.497
+O	-0.0345771293	 0.0442786025	-0.6384630007	-0.303704
+C	-0.0445499549	 1.1709427619	-0.1885942108	 0.327732
+C	-1.3637372246	 1.9199322372	-0.0098263762	-0.28468
+C	-1.7029799254	 2.5076470867	 1.3695646264	-0.098329
+O	-0.873485594	 3.6070258618	 1.6966123244	-0.23488
+C	 0.0300640289	 3.4080228869	 2.7626337786	-0.061085
+C	 1.0063919754	 2.2368143605	 2.5375963577	-0.297796
+C	 1.7319599035	 2.3169537507	 1.2220429797	-0.026155
+C	 1.2602545374	 1.8777982083	 0.055784505	-0.135291
+H	-1.3534455601	 2.7591271867	-0.7185415789	 0.130224
+H	-2.1571458133	 1.229816428	-0.3136756922	 0.11735
+H	-2.7365908811	 2.8736332847	 1.328599908	 0.112283
+H	-1.6712474136	 1.7320349234	 2.1458344569	 0.103826
+H	 0.5810540973	 4.3499898959	 2.8500522044	 0.112959
+H	-0.5084651619	 3.2452244626	 3.7102075135	 0.09288
+H	 1.7203800967	 2.2323809278	 3.3685329372	 0.109085
+H	 0.4575656495	 1.2912957176	 2.6064700955	 0.119942
+H	 2.7217120836	 2.7680856448	 1.2380079317	 0.09977
+H	 1.8881739459	 1.9292555721	-0.8310990902	 0.11587
+19
+0 777	2.2712779	1.6001097	1.1257263	3.1383	78.58	-0.23176	-0.04339	0.18836999999999998	1128.0527	0.157852	-422.565935	-422.557621	-422.556677	-422.599136	31.3
+O	-1.3454823857	 2.6815590004	 0.6425292363	-0.32036
+C	-1.2117626475	 1.4773378052	 0.5580426873	 0.292393
+C	-1.5402093217	 0.8131773014	-0.7882053352	-0.176839
+O	-1.5082787181	-0.5886959347	-0.8444484478	-0.225084
+C	-2.7283577438	-1.2109168025	-0.4877943283	-0.069527
+C	-3.1006165667	-1.0351596204	 0.983221983	-0.238479
+C	-1.9841305165	-1.4490895077	 1.9487291107	-0.23953
+C	-0.8713017749	-0.4735102401	 2.2107351873	-0.018315
+C	-0.5799783785	 0.7146189212	 1.669935094	-0.13753
+H	-2.4968998912	 1.2235681216	-1.1443155998	 0.116554
+H	-0.7645789339	 1.1745068601	-1.4754177318	 0.140481
+H	-3.5449753485	-0.8429994267	-1.1303899998	 0.092718
+H	-2.5834183041	-2.2739025277	-0.7094949375	 0.108103
+H	-3.4042149161	-0.0005850315	 1.1856543659	 0.118162
+H	-3.9880296984	-1.6509349289	 1.1722594395	 0.104593
+H	-2.4272073117	-1.6755592951	 2.9283424757	 0.115967
+H	-1.5413320848	-2.401018892	 1.6184722978	 0.121327
+H	-0.2417594139	-0.7752006215	 3.0483262917	 0.100429
+H	 0.2070666559	 1.299718449	 2.1410442208	 0.114938
+19
+0 778	2.4192456	1.6821711	1.1727764	3.5765	78.	-0.26503	-0.05035	0.21467999999999998	1084.4648	0.158842	-422.586681	-422.578548	-422.577604	-422.619522	30.944
+O	-1.1939159456	-0.0828920981	 0.8851195264	-0.325931
+C	-0.7624207973	 0.4850241835	-0.0840654944	 0.379742
+O	-1.5072018744	 1.4042545127	-0.7893315772	-0.252722
+C	-1.6989967693	 2.6643385308	-0.1298319583	-0.084915
+C	-0.3602355569	 3.3720541731	 0.0840034775	-0.215069
+C	 0.4687668683	 3.6019164814	-1.1924012179	-0.191124
+C	 0.7051517915	 2.3746160866	-2.1166536963	-0.245464
+C	 1.2397346793	 1.1311471819	-1.4450742196	-0.053444
+C	 0.5992554415	 0.2902568217	-0.6179441005	-0.132097
+H	-2.3561384024	 3.2350852333	-0.7921697021	 0.112209
+H	-2.2162505611	 2.5082479264	 0.8244103167	 0.123497
+H	-0.5536663397	 4.3399730282	 0.562018736	 0.103317
+H	 0.2279831127	 2.7944813378	 0.8067723859	 0.119275
+H	-0.0138368668	 4.3733166748	-1.8054281734	 0.103546
+H	 1.4393084144	 4.0148569647	-0.8928971854	 0.1034
+H	-0.231063819	 2.1276681797	-2.6203724684	 0.139621
+H	 1.4163525668	 2.6812042328	-2.8906647257	 0.095283
+H	 2.2800629964	 0.8913451354	-1.6596843855	 0.108803
+H	 1.1204822116	-0.5634614466	-0.1966997376	 0.112072
+19
+0 779	2.9545501	1.1400375	0.9204619	1.3381	76.19	-0.24824	-0.09236	0.15588	1292.7832	0.156866	-422.59214	-422.583143	-422.582199	-422.627427	31.838
+O	 0.1771656022	-1.3200245168	 0.2041418849	-0.220912
+C	 0.0540253579	-0.125378864	 0.1364143869	 0.094491
+C	-1.3007913853	 0.5939887793	 0.0173321266	 0.267309
+O	-1.2773954585	 1.8006675072	-0.0755315163	-0.283879
+C	-2.5393719053	-0.2663869963	 0.0530440753	-0.070839
+C	-3.8366629285	 0.4562764513	-0.3992917403	-0.238005
+C	-4.8239664136	 0.3427014109	 0.785363595	-0.196024
+C	-4.3422540371	-0.8874346513	 1.569123979	-0.197538
+C	-2.8129785222	-0.762990906	 1.5130407883	-0.224215
+H	 0.911801355	 0.5804717454	 0.1418490028	 0.107421
+H	-2.3352964517	-1.1483324355	-0.5621106412	 0.103863
+H	-3.6300809017	 1.4952491166	-0.6639676585	 0.124399
+H	-4.239942776	-0.0358706087	-1.289015578	 0.102131
+H	-4.7487391054	 1.232622672	 1.4210241064	 0.105254
+H	-5.8648788521	 0.2664382602	 0.4599722077	 0.097559
+H	-4.724551353	-0.9275924121	 2.5932631265	 0.099296
+H	-4.659004929	-1.8077631657	 1.0626281412	 0.101599
+H	-2.4832128867	-0.0058261981	 2.2353698922	 0.107011
+H	-2.277910639	-1.6877660183	 1.7359191916	 0.121078
+19
+0 780	2.960988	0.961756	0.8389317	1.2712	77.03	-0.24726	-0.0943	0.15296	1420.6663	0.155322	-422.562497	-422.553118	-422.552174	-422.598403	32.795
+O	 0.2057540502	-1.5947946948	 0.1215939503	-0.216528
+C	 0.1806015409	-0.3936237904	 0.0567459373	 0.081079
+C	-1.1136228009	 0.4352711726	 0.025252795	 0.300645
+O	-1.0025107682	 1.6388063453	-0.0385435638	-0.281401
+C	-2.4216525825	-0.3155146394	 0.0402419422	-0.328975
+C	-2.7726382227	-0.832210889	-1.3643519164	 0.037813
+C	-3.0947020113	 0.1913356659	-2.4899761734	-0.219765
+C	-4.2201843281	-0.76275518	-2.9742386538	-0.211028
+C	-4.1790873155	-1.4564391833	-1.5855992354	-0.232275
+H	 1.093308053	 0.2384748949	 0.0172310922	 0.107542
+H	-2.3420753424	-1.1668721941	 0.7248329183	 0.128281
+H	-3.1999413722	 0.3666449063	 0.3945220367	 0.117853
+H	-1.9993447763	-1.5320367704	-1.6964065261	 0.094793
+H	-3.499140871	 1.1205573661	-2.0765830902	 0.110989
+H	-2.2979952279	 0.4457284473	-3.1929946749	 0.100296
+H	-5.1650951699	-0.312922351	-3.2861631825	 0.10082
+H	-3.8734135156	-1.4283513424	-3.7695816538	 0.105867
+H	-4.9163691341	-1.0270791768	-0.899390787	 0.101675
+H	-4.2608032054	-2.5452351866	-1.5476838947	 0.102319
+19
+0 781	3.0957933	0.8195858	0.7044607	1.3337	77.48	-0.24795	-0.09458	0.15337	1606.18	0.154654	-422.559479	-422.54971	-422.548765	-422.595971	33.827
+O	 0.1151616398	-1.3450210256	 0.3312865558	-0.217187
+C	 0.0794671573	-0.1576137192	 0.1399926125	 0.080177
+C	-1.2217266865	 0.6461516364	-0.0203801944	 0.287206
+O	-1.1191654599	 1.8372332918	-0.2072768022	-0.27602
+C	-2.5199395958	-0.1173761382	 0.0414121396	-0.287932
+C	-2.8206521888	-0.8193264595	-1.3056240265	-0.221047
+C	-4.1144767861	-1.6022634909	-1.2612183578	 0.033909
+C	-4.3237924523	-2.7755833117	-2.1832974703	-0.278751
+C	-4.1323197855	-3.0037918079	-0.7032742254	-0.257285
+H	 0.9863602865	 0.4794506552	 0.063632832	 0.107845
+H	-2.4550895197	-0.8777352104	 0.8262071883	 0.131488
+H	-3.3183443147	 0.5886322995	 0.28557538	 0.122381
+H	-2.862975494	-0.06448919	-2.1007094503	 0.1134
+H	-1.9946093109	-1.496679931	-1.5504431595	 0.116025
+H	-4.9946175536	-0.9978664414	-1.0545722121	 0.084614
+H	-5.3101755104	-2.9286852813	-2.6067615148	 0.11399
+H	-3.5097011702	-3.0496971821	-2.8463890187	 0.113701
+H	-4.9869166983	-3.3178878722	-0.1145330952	 0.11321
+H	-3.1880477171	-3.4280480314	-0.3769130512	 0.120276
+19
+0 782	2.0222941	1.4269478	0.9018785	1.6757	75.91	-0.24941	-0.02682	0.22258999999999998	1294.1113	0.154976	-422.522976	-422.513686	-422.512742	-422.558193	32.831
+O	 0.0640356892	-1.2282630458	 0.0343524528	-0.245087
+C	 0.240026357	-0.0402590649	 0.1296474472	 0.148847
+C	-0.0647409337	 0.9722975148	-0.9615776576	-0.157142
+C	-1.0269980704	 2.0231770096	-0.4201511053	 0.011466
+C	-0.508640875	 3.2320123022	 0.3230647697	-0.281048
+C	-1.0866428226	 3.3863548183	-1.0599159752	-0.261241
+C	-0.580670796	 0.3046839469	-2.2176975392	 0.119463
+C	 0.3154077756	-0.1337150139	-3.2902629099	-0.180485
+O	-0.4586696852	 1.0628722286	-3.4232112628	-0.247814
+H	 0.6329368417	 0.4112822697	 1.0685869241	 0.085587
+H	 0.8825732584	 1.4788728663	-1.2006274177	 0.096013
+H	-1.9724984468	 1.6153266276	-0.0709065746	 0.09467
+H	-1.0812199368	 3.597624993	 1.1678863673	 0.118297
+H	 0.5652387008	 3.337662103	 0.4395067447	 0.113607
+H	-2.0576132737	 3.8569511341	-1.1628663444	 0.118538
+H	-0.4098296639	 3.5768797881	-1.8845083177	 0.131111
+H	-1.5327661584	-0.2142484499	-2.1083574618	 0.103399
+H	 1.3899563108	 0.0142137273	-3.1885464799	 0.111149
+H	 0.0211746389	-0.958007605	-3.9372715297	 0.120669
+19
+0 783	1.945646	1.3379803	0.8515984	2.9163	77.95	-0.25092	-0.05021	0.20070999999999997	1347.8467	0.154695	-422.558452	-422.548915	-422.547971	-422.594327	33.04
+O	 0.9060433173	-0.7065764732	-0.5610415257	-0.245868
+C	 0.1043683591	-0.1159580873	 0.1137654885	 0.15831
+C	-0.3273942544	 1.3174616511	-0.1301358453	-0.1892
+C	-0.3651527915	 2.1190799138	 1.1569139431	 0.158321
+O	 0.0795611053	 3.2302637562	 1.2767913096	-0.24586
+C	-1.7538344902	 1.2988811595	-0.7326184714	 0.020589
+C	-1.9428535928	 0.700832454	-2.1561620569	-0.233379
+C	-2.933695738	 1.8572546645	-2.4608267503	-0.218539
+C	-2.3498830052	 2.6385117857	-1.2522324011	-0.233387
+H	-0.4136608212	-0.6182745417	 0.9640570706	 0.080804
+H	 0.3661964276	 1.7899385834	-0.8303260292	 0.114123
+H	-0.8829921155	 1.6117887041	 2.0043756385	 0.080787
+H	-2.4437041496	 0.8238448164	-0.0249484838	 0.081921
+H	-1.0246015351	 0.780693825	-2.7447457693	 0.11991
+H	-2.3105328145	-0.3250368604	-2.2273511844	 0.107999
+H	-2.8653076955	 2.3296369519	-3.4426396722	 0.107523
+H	-3.9719304854	 1.5597685143	-2.2906353853	 0.108054
+H	-1.560684564	 3.3327537499	-1.5542172874	 0.119895
+H	-3.0444853466	 3.1689661128	-0.597395648	 0.107997
+19
+0 784	2.3254034	0.9787543	0.7593026	2.1718	77.38	-0.25736	-0.05371	0.20364999999999997	1509.8326	0.153896	-422.556636	-422.54683	-422.545885	-422.592928	33.884
+O	 1.3296262631	-0.2264259372	 0.5510975607	-0.246717
+C	 0.1627405772	-0.0327458052	 0.3299107812	 0.139495
+C	-0.3862164479	 1.2761249825	-0.2299149621	-0.161623
+C	-1.8454332499	 1.1971464808	-0.6833689327	-0.243214
+C	-2.0245250277	 0.412763927	-1.9661935822	 0.017314
+C	-3.2134578587	 0.6698890461	-2.8536432954	-0.275489
+C	-1.8348156523	 1.0926076829	-3.301195148	-0.257024
+C	-0.1306306388	 2.3657594764	 0.8174175502	 0.135443
+O	-0.9605219471	 3.1511397971	 1.1882170462	-0.229883
+H	-0.6092053804	-0.7997695801	 0.5652958265	 0.093596
+H	 0.2772726155	 1.5374147297	-1.0684101686	 0.136488
+H	-2.4461800935	 0.7531894546	 0.121858061	 0.109342
+H	-2.2271529068	 2.2151522325	-0.807605789	 0.121564
+H	-1.6916000838	-0.6220169782	-1.9182917249	 0.084986
+H	-3.6802293748	-0.1735930281	-3.3497722136	 0.115709
+H	-3.9077204263	 1.4479995065	-2.5537003087	 0.116748
+H	-1.3604696613	 0.5392864406	-4.1038868662	 0.115865
+H	-1.6101190542	 2.1546512061	-3.3016249836	 0.113897
+H	 0.9083902578	 2.3726027961	 1.2076009591	 0.113504
+19
+0 785	2.4693905	1.4707354	1.072182	1.8848	76.04	-0.24572	-0.01927	0.22644999999999998	1157.4897	0.15618	-422.535563	-422.526781	-422.525836	-422.569629	31.876
+O	 0.6993759589	-0.9343241798	-0.6109212421	-0.275971
+C	 0.2816134842	 0.0626137041	-0.0704285813	 0.109227
+C	-0.6664091852	 1.013934837	-0.6890964788	 0.222689
+C	-1.6545502105	 1.6924960033	 0.2530080391	-0.3036
+C	-0.5113677826	 2.4781220767	-0.29001817	-0.307659
+C	-1.0810612887	 0.6791321383	-2.1036588114	 0.07258
+C	-2.0966681311	-0.4628536438	-2.3310454145	-0.278973
+C	-2.9254290677	 0.6144355173	-3.0552369769	-0.069897
+O	-1.9966779535	 1.652833849	-2.6601783334	-0.305168
+H	 0.5965059519	 0.3326141081	 0.9654157975	 0.068741
+H	-2.635497025	 1.8857572683	-0.1641989721	 0.138955
+H	-1.6411220041	 1.3988282079	 1.2971905855	 0.12073
+H	-0.7222947795	 3.1953165659	-1.074188053	 0.150677
+H	 0.3097389887	 2.7367392781	 0.3702189794	 0.122366
+H	-0.1834023113	 0.5854939699	-2.727931027	 0.090491
+H	-1.746082811	-1.3022154389	-2.9305927014	 0.121574
+H	-2.5497666741	-0.8373608537	-1.4115938454	 0.111963
+H	-2.9689245965	 0.5116621691	-4.1466048006	 0.105783
+H	-3.9352575329	 0.8055992232	-2.6755421235	 0.105494
+19
+0 786	2.793809	1.2427864	1.0649156	3.2102	75.5	-0.25055	-0.02746	0.22309	1190.1237	0.156353	-422.527123	-422.518425	-422.517481	-422.560936	31.71
+O	 0.7859172119	 0.0610230275	 0.9117069073	-0.281524
+C	 0.2879040245	-0.047368716	-0.1853399572	 0.076473
+C	-0.5915065728	 0.9862564458	-0.8095468311	 0.255276
+C	-1.4494217663	 1.7774470397	 0.1762811955	-0.29464
+C	-0.2552897288	 2.4273356187	-0.4299535143	-0.294645
+C	-1.1368844321	 0.700141793	-2.1904963671	-0.132949
+C	-1.7738272948	-0.6961804815	-2.4042238944	-0.094016
+O	-0.6453198735	-1.1352059896	-3.1895848088	-0.268706
+C	-0.1156563033	 0.2061854232	-3.2460496495	-0.094017
+H	 0.4668495576	-0.9527744553	-0.8032494377	 0.10227
+H	-2.4361486718	 2.0729555328	-0.1634756956	 0.119588
+H	-1.3811434916	 1.4698052147	 1.2132126255	 0.142672
+H	-0.4010372778	 3.1805422608	-1.1966525713	 0.119588
+H	 0.6181444095	 2.557886902	 0.1982196733	 0.142673
+H	-1.7582007567	 1.5369578339	-2.5173338938	 0.078058
+H	-1.9227093341	-1.313589158	-1.5106258723	 0.109141
+H	-2.7011038744	-0.6896413923	-2.9920493052	 0.102809
+H	 0.943445774	 0.2461553883	-2.9657260873	 0.109141
+H	-0.2381279793	 0.6506928322	-4.2424618861	 0.102809
+19
+0 787	2.4986919	1.3789436	1.0276656	2.1557	75.99	-0.25632	-0.03629	0.22003	1199.4791	0.155796	-422.53216	-422.523378	-422.522434	-422.566263	32.016
+O	 1.1786436357	-0.5331406292	-0.6768518233	-0.257557
+C	 0.2952089312	 0.051188187	-0.1041824814	 0.131346
+C	-0.9047937106	 0.6428734691	-0.7835499432	 0.267366
+C	-1.363218708	 1.9425861354	-0.2400884671	-0.221836
+O	-2.0347074068	 0.7426400585	 0.1058015399	-0.259833
+C	-1.1699681226	 0.2238724691	-2.2035135979	-0.039165
+C	-2.4293577174	 0.7607906921	-2.9364087762	-0.249919
+C	-2.6184105914	-0.6499806536	-3.5576252744	-0.218371
+C	-1.6915835573	-1.2231329982	-2.4528616965	-0.227825
+H	 0.2943319828	 0.1999501775	 0.9989882049	 0.086316
+H	-0.8161820732	 2.4257236208	 0.5689868012	 0.123381
+H	-1.9003218067	 2.6117259235	-0.9099040407	 0.131365
+H	-0.2612555681	 0.4013861869	-2.7857817555	 0.092926
+H	-3.2250422359	 0.9880418529	-2.2211844442	 0.116643
+H	-2.3011850322	 1.6084611935	-3.6137771881	 0.095758
+H	-3.6364843468	-1.0403607271	-3.6167210425	 0.101032
+H	-2.160304656	-0.7212463044	-4.5481492578	 0.10497
+H	-2.2655246964	-1.5851067115	-1.5948214967	 0.112084
+H	-0.9562051603	-1.9787621522	-2.7335429605	 0.111321
+19
+0 788	3.3321716	1.037023	0.9201552	2.479	76.79	-0.2434	-0.02723	0.21617	1324.8424	0.154273	-422.519524	-422.510366	-422.509422	-422.554188	33.514
+O	 0.5931537591	 0.0431048342	 1.1912889145	-0.268828
+C	 0.5988089367	 0.177071619	-0.0088023768	 0.102146
+C	-0.3313558814	 1.0646512007	-0.7629394407	 0.304738
+C	-0.6161702247	 2.4221777826	-0.1473984726	-0.293989
+C	-1.6812306378	 1.3728041345	-0.136727675	-0.305081
+O	-0.1753903751	 1.0311841274	-2.150018154	-0.296065
+C	-0.8196261788	-0.0412203298	-2.789118214	 0.127285
+C	-0.9010653487	 0.0439276051	-4.2762648153	-0.294247
+C	-2.159352256	 0.1837944688	-3.4400653903	-0.282379
+H	 1.3342520642	-0.3483171042	-0.6583873402	 0.084665
+H	-0.1038980071	 2.6476740706	 0.7806178211	 0.13827
+H	-0.70546442	 3.2364355473	-0.8567712275	 0.13224
+H	-1.8921552415	 0.8696230667	 0.8001644641	 0.141947
+H	-2.5137807672	 1.4777406715	-0.8202678935	 0.131185
+H	-0.6279091868	-1.0123447967	-2.3355306016	 0.092248
+H	-0.5075043632	 0.9473735135	-4.7279143834	 0.129591
+H	-0.7498478916	-0.8588924348	-4.8566095199	 0.119367
+H	-2.5835010669	 1.1783438627	-3.3632289667	 0.119465
+H	-2.8830105229	-0.6239067889	-3.4370413483	 0.117442
+19
+0 789	2.4961092	1.2103638	0.9618668	2.087	76.18	-0.25659	-0.03737	0.21921999999999997	1282.155	0.155037	-422.527969	-422.518855	-422.517911	-422.562553	33.049
+O	 0.6393761638	 0.1314366451	-0.9579981988	-0.257029
+C	 0.323230402	-0.1471999268	 0.1704344899	 0.125594
+C	-0.3782070584	 0.7879312568	 1.1094500437	 0.322636
+C	-0.9871092009	 2.0513351402	 0.5397721484	-0.322802
+C	-2.1132890085	 1.785277254	-0.441074499	 0.026095
+C	-3.4883480136	 1.4330989682	 0.0679381932	-0.249528
+C	-3.2419193336	 2.7751809745	-0.575788497	-0.280434
+C	 0.0713565663	 0.7115533627	 2.5197152711	-0.226289
+O	-1.1310102126	 0.0820592255	 2.1146991684	-0.258215
+H	 0.5308442754	-1.1441026607	 0.6196494447	 0.088537
+H	-1.3568292017	 2.6595699914	 1.3727769934	 0.100157
+H	-0.1903363588	 2.6214352643	 0.0473679214	 0.121092
+H	-1.7950422232	 1.2943389229	-1.3547560582	 0.10648
+H	-4.0671361276	 0.6971744348	-0.4789001558	 0.111985
+H	-3.6322363368	 1.4006482249	 1.1422401074	 0.119475
+H	-3.6488299265	 2.9579385196	-1.5640588603	 0.113077
+H	-3.2286718762	 3.6513691126	 0.064932384	 0.107661
+H	 0.8813749585	 0.0414560109	 2.8067793084	 0.123381
+H	-0.0377036177	 1.6039017791	 3.1345209249	 0.128126
+19
+0 790	2.5081088	1.2200804	0.9598942	2.1878	76.62	-0.25181	-0.0188	0.23300999999999997	1271.8376	0.15533	-422.53279	-422.52374	-422.522796	-422.567193	32.867
+O	 0.6838787728	 0.1420884962	-0.9208390946	-0.27842
+C	 0.4245734194	-0.0999947289	 0.2342447583	 0.115531
+C	-0.401940174	 0.7585831738	 1.1131623191	 0.26923
+C	-0.937639085	 2.0379911611	 0.4930120863	-0.33322
+C	-2.0697212015	 1.7897846277	-0.4783099514	 0.103639
+C	-3.1796315594	 2.7367793621	-0.6296294613	-0.181993
+O	-3.3531429176	 1.5223130019	 0.1041667648	-0.239289
+C	-1.2469334598	 0.0169555435	 2.1478815333	-0.293607
+C	-0.0187049968	 0.7310155274	 2.5920500337	-0.322727
+H	 0.8095595878	-1.0235483791	 0.7278446958	 0.068108
+H	-1.2934540116	 2.7087796791	 1.2821667432	 0.098359
+H	-0.1222875459	 2.5456304951	-0.0353694461	 0.122124
+H	-1.8243092446	 1.1490743021	-1.3238988137	 0.115335
+H	-3.1919368148	 3.6488569198	-0.0333087174	 0.11019
+H	-3.7202992849	 2.7949388189	-1.5730848844	 0.116677
+H	-2.2180989894	 0.4534769598	 2.3461617393	 0.151416
+H	-1.2338558258	-1.0677891292	 2.1269497743	 0.124531
+H	-0.118431959	 1.6685521738	 3.1272646429	 0.129321
+H	 0.84686961	 0.1420168352	 2.8773509178	 0.124794
+19
+0 791	2.0152339	1.6773818	1.1259812	1.8335	75.18	-0.25101	-0.02575	0.22526000000000002	1136.5121	0.155786	-422.52972	-422.520884	-422.51994	-422.563698	32.129
+O	 0.9710983791	-0.6651003273	 0.2336467072	-0.264043
+C	 0.0828760243	 0.0242489962	-0.2019752151	 0.129643
+C	-0.3258742828	 1.3633189601	 0.3570652835	 0.19925
+C	-1.8832026624	 1.4726394453	 0.5025318574	-0.276777
+C	-1.9566711566	 2.1897028738	-0.8689834078	-0.218177
+C	-0.4285650199	 2.431676305	-0.7956713639	-0.268725
+C	 0.5281638096	 1.7370443316	 1.5425007497	 0.010899
+C	 0.106108814	 1.5242671427	 2.9290253936	-0.180318
+O	 0.0630326958	 2.8295991987	 2.3402951049	-0.250989
+H	-0.5089530935	-0.3034883149	-1.0886644425	 0.077675
+H	-2.4401206718	 0.5398505076	 0.6219039203	 0.105164
+H	-2.1206484505	 2.1454859615	 1.328850304	 0.134612
+H	-2.2313451454	 1.5106456044	-1.6805152928	 0.108881
+H	-2.5952473841	 3.0728715669	-0.9311284228	 0.109612
+H	 0.1617054349	 2.2501623325	-1.6975461462	 0.108215
+H	-0.1809935995	 3.4204081067	-0.403373619	 0.132577
+H	 1.5988080914	 1.7584647582	 1.3404210966	 0.105764
+H	-0.8647567607	 1.0765609148	 3.1354300895	 0.11343
+H	 0.856322558	 1.3852704262	 3.7049792633	 0.123308
+19
+0 792	2.2969339	1.531308	1.1423794	2.0687	75.41	-0.23942	-0.02741	0.21201	1134.8233	0.155551	-422.531516	-422.522523	-422.521578	-422.566157	32.341
+O	 0.3562439643	 0.2475607364	 1.0025327056	-0.251518
+C	 0.3669015401	 0.1037125104	-0.1924154419	 0.121202
+C	-0.5565462812	 0.827538381	-1.1651139781	 0.315637
+C	-1.0006504727	 2.2322664842	-0.7054118596	-0.33436
+C	-0.0373935538	 2.7391697377	-1.7944493601	-0.070861
+O	 0.2666528351	 1.3861536268	-2.2261302866	-0.327629
+C	-1.603978272	-0.1322321388	-1.681214949	-0.055304
+C	-1.284389024	-1.0472455698	-2.8386545797	-0.270238
+C	-2.2495977113	 0.0959950552	-3.0233672673	-0.279302
+H	 1.0801465604	-0.582604937	-0.700152074	 0.091901
+H	-2.0538055852	 2.4461571378	-0.8894574962	 0.115603
+H	-0.7438206335	 2.4701716925	 0.3266321932	 0.133931
+H	-0.4852727862	 3.3240400464	-2.6043830105	 0.111058
+H	 0.8603420063	 3.2528797439	-1.4325938738	 0.113561
+H	-2.2342371312	-0.5357276206	-0.8927215728	 0.100267
+H	-0.3108196419	-0.9390368959	-3.3028108019	 0.132845
+H	-1.6687336685	-2.0603659155	-2.8125535558	 0.115065
+H	-1.8994458741	 0.9395078231	-3.6068449062	 0.12462
+H	-3.3067968208	-0.1231113179	-3.1203435053	 0.113522
+19
+0 793	2.3915578	1.4039293	1.1274877	2.9216	75.11	-0.25429	-0.03608	0.21821000000000002	1154.7695	0.155675	-422.521608	-422.512595	-422.511651	-422.556741	32.062
+O	 1.2041796926	-0.0872967657	-0.2085317231	-0.251151
+C	 0.0122409181	-0.0565780375	-0.0409984207	 0.086196
+C	-0.745323169	 1.0921418455	 0.5933699853	 0.19066
+C	-1.8427009774	 1.6448121523	-0.3616691254	-0.125291
+O	-1.0814898016	 2.8371086497	-0.6099791063	-0.269707
+C	-0.0826579066	 2.4718333251	 0.3676311031	-0.115075
+C	-1.1776976635	 0.779944456	 2.0122078682	-0.065244
+C	-1.4050936481	-0.6198774601	 2.5380474547	-0.28619
+C	-0.2187558321	 0.1805582392	 3.012206782	-0.272293
+H	-0.632379183	-0.9056820743	-0.3647050331	 0.08823
+H	-2.0290224765	 1.0698972662	-1.2789036318	 0.104607
+H	-2.8035109907	 1.8526823351	 0.1280303373	 0.101662
+H	 0.9276691139	 2.446709069	-0.050931886	 0.127493
+H	-0.1057894701	 3.1304767772	 1.2444956593	 0.098917
+H	-1.851348894	 1.5366877886	 2.4070015049	 0.094215
+H	-2.2340044869	-0.7682039602	 3.220884171	 0.11957
+H	-1.2193866499	-1.4682455276	 1.8892059271	 0.1192
+H	-0.226669367	 0.5709940406	 4.0233211507	 0.118807
+H	 0.7623688218	-0.1137668491	 2.6549333929	 0.135396
+19
+0 794	1.9159117	1.632336	1.1316172	1.7925	76.44	-0.25947	-0.06004	0.19942999999999997	1149.0189	0.156159	-422.592583	-422.583526	-422.582582	-422.628082	32.154
+O	 2.0820667302	 2.686322732	 0.0425411169	-0.239488
+C	 1.2969341469	 2.1115353517	 0.7487249709	 0.101079
+C	-0.0831774143	 1.6131809786	 0.3099785237	 0.14373
+C	-1.143066995	 1.9481355266	 1.3980680407	-0.279292
+C	-2.3367158691	 2.5224715537	 0.6148150627	-0.20155
+C	-1.685040566	 3.2387953464	-0.578597211	-0.201542
+C	-0.5562064559	 2.2861152434	-1.0102250912	-0.279285
+C	 0.074194509	 0.1037025146	 0.1038608888	 0.101104
+O	-0.2990328661	-0.7424898576	 0.872063463	-0.239455
+H	 1.529995241	 1.8906006517	 1.8132928444	 0.101177
+H	-1.3876897419	 1.0594786443	 1.9835266332	 0.133341
+H	-0.7469765664	 2.6996904366	 2.091693232	 0.101779
+H	-2.9719341806	 1.7042844617	 0.2545899152	 0.10828
+H	-2.9638175242	 3.1781811071	 1.2246352093	 0.102753
+H	-2.3854339082	 3.4558961655	-1.3894045145	 0.102755
+H	-1.2584465859	 4.1941574055	-0.249973821	 0.108273
+H	-0.9426761536	 1.5282911676	-1.7024480032	 0.101793
+H	 0.2770874798	 2.7877348213	-1.5065331506	 0.133346
+H	 0.5832203305	-0.1627732804	-0.8481407895	 0.101203
+19
+0 795	3.3503578	1.4074826	1.1930565	3.0026	75.04	-0.24429	-0.03023	0.21406	1072.3489	0.15783	-422.556293	-422.548422	-422.547478	-422.58886	30.289
+O	 0.58162323	-0.1253208118	-0.8983642642	-0.266435
+C	-0.0319450295	-0.1235440851	 0.1389228097	 0.090945
+C	-0.8159453902	 1.0668733808	 0.6299025149	 0.341125
+C	-1.8493929578	 1.7366467112	-0.3240686016	-0.249973
+C	-1.5310898618	 3.0477271221	 0.447488044	-0.035426
+C	-0.1110491666	 2.459682178	 0.6924009893	-0.282386
+C	-2.3243716229	 3.0300748064	 1.7666626008	-0.228142
+C	-1.870000417	 1.8296275247	 2.6274820363	-0.077244
+O	-1.4393431013	 0.7086022642	 1.8521986202	-0.325517
+H	-0.0640837693	-1.0058854386	 0.8143689249	 0.090583
+H	-1.4818841508	 1.749481028	-1.3522451961	 0.119378
+H	-2.8668394399	 1.3403136821	-0.2794496065	 0.099433
+H	-1.6226969393	 3.9994226544	-0.0796143458	 0.069742
+H	 0.5389696221	 2.5738458057	-0.1766322756	 0.126707
+H	 0.4348570743	 2.7207438776	 1.6017364289	 0.10405
+H	-2.1612131867	 3.9503636309	 2.338676863	 0.102298
+H	-3.3959843012	 2.9740600123	 1.5438955352	 0.106701
+H	-1.0476055927	 2.1443829301	 3.2844830936	 0.101682
+H	-2.6753319194	 1.4650111769	 3.2706413291	 0.112479
+19
+0 796	3.1930331	1.4129923	1.176404	3.2256	75.54	-0.25021	-0.02992	0.22028999999999999	1076.5765	0.15828	-422.556057	-422.548297	-422.547352	-422.58836	29.891
+O	 0.6386000239	-0.9004549795	-0.6641045127	-0.254024
+C	 0.2164703541	 0.0522887206	-0.0572242001	 0.080822
+C	-0.6241680544	 1.1480881411	-0.6387810182	 0.196438
+C	-1.931881142	 1.5334584812	 0.1232886099	-0.266073
+C	-1.6918397146	 2.9629956649	-0.4240844738	-0.041308
+C	-0.1741205078	 2.6310006627	-0.4068286703	-0.264406
+C	-2.157806452	 3.022996617	-1.8860944659	-0.068917
+O	-1.3680144827	 2.185789009	-2.718858261	-0.260538
+C	-0.9570303547	 0.9609667367	-2.1263969751	-0.116897
+H	 0.4338974757	 0.1822651065	 1.0299181587	 0.070174
+H	-2.847518598	 1.0102134301	-0.1692846504	 0.103668
+H	-1.8057377665	 1.4756214578	 1.2087325294	 0.102021
+H	-2.0659277375	 3.8150181073	 0.1478956817	 0.071861
+H	 0.4675650877	 3.0791498265	-1.1674598892	 0.120182
+H	 0.2630260216	 2.7651864727	 0.5861491009	 0.103004
+H	-3.2252409458	 2.7515928564	-1.9487490409	 0.090535
+H	-2.0448037086	 4.0336562627	-2.2931627593	 0.10981
+H	-1.7311770018	 0.1854493423	-2.237460219	 0.098126
+H	-0.0744232264	 0.630999004	-2.6804707148	 0.125524
+19
+0 797	3.2718237	1.375633	1.1597665	1.7002	75.41	-0.24601	-0.0285	0.21751	1083.7528	0.158192	-422.556097	-422.548364	-422.54742	-422.588303	30.093
+O	 0.9963522556	-0.6991725568	-0.5222976368	-0.250784
+C	 0.1831297735	 0.0163103711	 0.0062822497	 0.079059
+C	-0.4533650598	 1.2222197094	-0.618227117	 0.219601
+C	-0.4683948079	 2.5420961238	 0.2234375529	-0.270923
+C	-1.8085704452	 2.8459146987	-0.4956797905	 0.133176
+C	-2.0201774783	 1.3091168945	-0.5780628594	-0.301726
+O	-1.5648272986	 3.4331830756	-1.7622101693	-0.273886
+C	-0.930976087	 2.5516264321	-2.6917630962	-0.082529
+C	 0.0486381282	 1.5610910517	-2.0285402603	-0.277463
+H	-0.1664770483	-0.1839533924	 1.0479162269	 0.066601
+H	-0.6064735446	 2.3482209437	 1.2916264068	 0.10152
+H	 0.3534729337	 3.2442137737	 0.0666337183	 0.108943
+H	-2.5556739057	 3.4689499714	-0.000781734	 0.081573
+H	-2.4169141129	 0.9206608739	 0.363816153	 0.107643
+H	-2.5875130688	 0.8895241344	-1.4111007051	 0.113356
+H	-1.702981111	 1.9896719224	-3.2357102174	 0.100312
+H	-0.4236574063	 3.1890865756	-3.420662428	 0.113396
+H	 0.1273639842	 0.6546956345	-2.6365331316	 0.119111
+H	 1.0567637291	 1.9825756125	-1.9559876921	 0.113016
+19
+0 798	3.2586848	1.4012172	1.1779827	2.8937	74.68	-0.24816	-0.03532	0.21284	1083.8511	0.158112	-422.562667	-422.554797	-422.553852	-422.595101	30.235
+O	 0.5545877131	-1.0561333959	 0.4809056926	-0.24996
+C	 0.6424614504	 0.0703346379	 0.0648858021	 0.086274
+C	 0.3165947593	 1.3028453679	 0.8701115438	 0.322112
+C	-0.9515147258	 2.0854255354	 0.4322139152	-0.280222
+C	-0.0383738691	 3.2929373813	 0.7103177381	 0.098268
+C	-0.0735296919	 3.6846185634	 2.1927930309	-0.224097
+C	 0.5513192069	 2.5409618997	 3.0322000817	-0.194108
+C	 0.3513689097	 1.14324305	 2.3951786254	-0.26895
+O	 1.1311515143	 2.4467888213	 0.4702451336	-0.330651
+H	 0.9525972439	 0.2969913283	-0.9797964651	 0.086419
+H	-1.1675224792	 1.9643965176	-0.6316742146	 0.110894
+H	-1.8573387088	 1.9546898456	 1.0270906823	 0.108675
+H	-0.0735720058	 4.1441658491	 0.0262054721	 0.080848
+H	 0.4861435389	 4.6102710762	 2.3600617537	 0.105856
+H	-1.1121084492	 3.8864557218	 2.4816944242	 0.101306
+H	 1.6261646599	 2.7258545211	 3.0925999199	 0.120824
+H	 0.171825771	 2.5570249134	 4.0575417477	 0.098523
+H	 1.1624541372	 0.4715700198	 2.6902010088	 0.116515
+H	-0.5791903249	 0.6688595161	 2.7233679176	 0.111474
+19
+0 799	3.1106598	1.3552128	1.1343432	3.2483	76.27	-0.24115	-0.02299	0.21816	1120.8791	0.157583	-422.560555	-422.552441	-422.551497	-422.593127	31.032
+O	 0.5837532005	 0.0733780048	-1.100565921	-0.275681
+C	 0.4845860979	 0.0108581123	 0.1022228757	 0.099202
+C	 0.1103275295	 1.1568797554	 0.9713927696	 0.286897
+C	-0.8589420203	 2.1918039868	 0.4114033807	-0.316877
+C	 0.584102117	 2.5516803187	 0.5636516052	-0.06194
+C	 1.1086848029	 3.4804348991	 1.6461083383	-0.229351
+C	 0.7096148077	 3.0281297668	 3.0609580285	-0.217215
+C	 0.8848201388	 1.5182321729	 3.1924003955	-0.075339
+O	-0.0066197098	 0.8245775261	 2.3225229897	-0.303456
+H	 0.6656897776	-0.9304335012	 0.665693724	 0.084209
+H	-1.2320976433	 2.0146121172	-0.5910029362	 0.135159
+H	-1.5772493046	 2.5705037944	 1.1299214137	 0.123849
+H	 1.1460945215	 2.5530050804	-0.3657299024	 0.115937
+H	 2.2036819168	 3.4886601774	 1.5804448501	 0.108311
+H	 0.7775325205	 4.5079536927	 1.457006793	 0.109275
+H	 1.3231445346	 3.5450345295	 3.8062522003	 0.103119
+H	-0.3362081209	 3.2771105027	 3.2754672791	 0.110803
+H	 1.9283895332	 1.2350730368	 2.9790729404	 0.091525
+H	 0.6374474602	 1.168691667	 4.1979997257	 0.111571
+19
+0 800	2.8440361	1.3728312	1.1381094	3.0816	76.3	-0.24792	-0.01986	0.22806	1122.6402	0.158277	-422.561442	-422.5534	-422.552455	-422.594064	30.639
+O	 0.7478975597	-0.819822857	-0.3989445849	-0.274603
+C	-0.0610444461	-0.0084854095	-0.0163731566	 0.10392
+C	-1.0461796281	 0.6723151711	-0.8826115071	 0.210578
+C	-1.4552120772	 2.0801583036	-0.4787430916	-0.322219
+C	-2.4189822515	 0.9630888728	-0.2530533224	-0.068201
+C	-3.6631636416	 0.8209806602	-1.1279011937	-0.23685
+C	-3.3397243639	 0.2065929866	-2.4961247768	-0.074942
+O	-2.1587004366	 0.760465234	-3.0504655647	-0.2462
+C	-1.0070032244	 0.3117623562	-2.3584173647	-0.165108
+H	-0.1161399536	 0.2877065023	 1.058744537	 0.065814
+H	-0.9611262907	 2.5275031915	 0.3776029135	 0.119524
+H	-1.6555487517	 2.7570395106	-1.3024288953	 0.137354
+H	-2.5322942829	 0.6395726306	 0.7776420806	 0.096185
+H	-4.4036183041	 0.1928389814	-0.6218920695	 0.106993
+H	-4.1246323748	 1.8049212046	-1.2668617215	 0.114378
+H	-3.2272236409	-0.8860671254	-2.40411891	 0.093464
+H	-4.1436395782	 0.4032716171	-3.2107474558	 0.109961
+H	-0.89647009	-0.7786117378	-2.4577564572	 0.110573
+H	-0.1484239033	 0.7796457771	-2.8485924495	 0.119379
+19
+0 801	2.9541821	1.3602143	1.1042527	2.1382	76.53	-0.2525	-0.01849	0.23401	1127.9197	0.158389	-422.563097	-422.555171	-422.554227	-422.595538	30.474
+O	 0.8001052027	-0.9754865192	 0.1838330213	-0.273094
+C	 0.3930083551	 0.1311738096	-0.0731461549	 0.105004
+C	 0.0859787981	 1.1862351206	 0.9222072079	 0.241964
+C	-0.9958169098	 2.1853286003	 0.5097043877	-0.325097
+C	 0.424622699	 2.6183109487	 0.4739544124	-0.081152
+C	 0.9814865117	 3.5561510036	 1.5308947075	-0.10597
+O	 0.5902113203	 3.1972377025	 2.8394286254	-0.241606
+C	 1.0273150031	 1.8837137174	 3.1643721912	-0.081791
+C	 0.2391322205	 0.8221064715	 2.3945852453	-0.312281
+H	 0.2195985572	 0.4469717547	-1.1295945873	 0.065452
+H	-1.5121030159	 2.0179802981	-0.4301798414	 0.119943
+H	-1.6188223376	 2.5475944559	 1.3202351264	 0.136293
+H	 0.8871165837	 2.7207613636	-0.5045533072	 0.096238
+H	 2.0821634382	 3.5731020565	 1.4564655255	 0.094805
+H	 0.6165006908	 4.5756772308	 1.3667603126	 0.115345
+H	 2.1043791279	 1.7919173814	 2.9488090831	 0.093254
+H	 0.8880176531	 1.7692467124	 4.2425138288	 0.110951
+H	 0.7485279135	-0.1443192807	 2.4573714132	 0.131901
+H	-0.7489457417	 0.6967366722	 2.8500125124	 0.10984
+19
+0 802	2.7864014	1.3870543	1.1418355	1.877	76.37	-0.24927	-0.02008	0.22919	1119.9065	0.157657	-422.558962	-422.550831	-422.549887	-422.591699	30.981
+O	 1.0222450972	-0.8381763366	-0.3005128804	-0.269336
+C	 0.5338649346	 0.2229304237	 0.0026617441	 0.113483
+C	 0.0434033728	 1.2416863682	-0.9598151779	 0.18158
+C	-1.0700542549	 2.1474971726	-0.4327489467	-0.351184
+C	 0.3107624285	 2.6957172776	-0.5369701639	 0.07978
+O	 0.5843030059	 3.6515643411	-1.5106527173	-0.255753
+C	 1.1760360796	 3.1502911701	-2.7075421101	-0.067023
+C	 0.2787573374	 2.0991659527	-3.3502426581	-0.227189
+C	 0.1566184795	 0.87342187	-2.4309766082	-0.282853
+H	 0.4220623633	 0.5161262187	 1.0735909034	 0.066526
+H	-1.7917418154	 2.5009430891	-1.1602483049	 0.132247
+H	-1.477328279	 1.9286845879	 0.549356092	 0.120595
+H	 0.8737619378	 2.853375234	 0.3816044855	 0.100934
+H	 1.3033514465	 4.0240131931	-3.3516074346	 0.112976
+H	 2.1726426092	 2.7307505036	-2.497125247	 0.096307
+H	-0.7010078939	 2.5529296034	-3.540956513	 0.106851
+H	 0.6867290365	 1.7958252817	-4.320175108	 0.105108
+H	-0.688043611	 0.2433702344	-2.7300191324	 0.10951
+H	 1.0512191654	 0.2498438749	-2.5313804824	 0.127441
+19
+0 803	2.9322389	1.3269666	1.1017867	2.7304	75.91	-0.25311	-0.0338	0.21931	1150.0508	0.157727	-422.57228	-422.564157	-422.563213	-422.604985	30.911
+O	 0.4329894478	 0.2907147713	-1.0094614613	-0.259235
+C	 0.2811072118	-0.0314385693	 0.1413965985	 0.116781
+C	-0.6242110215	 0.6714990551	 1.104262479	 0.278916
+C	-1.1519226685	 2.0318877452	 0.7090429101	-0.275946
+C	-2.1839872679	 2.5694161784	 1.7086457346	-0.214247
+C	-3.276832106	 1.5282794602	 1.9743232822	-0.199534
+C	-2.7131635648	 0.255413023	 2.6288835411	-0.228053
+C	-1.3848563902	-0.1976784092	 2.044496822	 0.000753
+O	-0.2159009615	 0.4957151372	 2.4727848575	-0.282302
+H	 0.8164627196	-0.8958039112	 0.5947917007	 0.084708
+H	-0.3085816433	 2.7234633873	 0.6035228989	 0.115217
+H	-1.5944919732	 1.9354327885	-0.2891740756	 0.123516
+H	-1.6831901718	 2.8306341697	 2.6477106355	 0.113547
+H	-2.6242340202	 3.490079377	 1.313037579	 0.099439
+H	-4.0638595599	 1.9461480429	 2.6102532468	 0.100232
+H	-3.7535917699	 1.2648047452	 1.0209667386	 0.101184
+H	-2.5540816996	 0.4177675857	 3.7019314687	 0.122811
+H	-3.4332352238	-0.565012437	 2.5413678337	 0.106168
+H	-1.238610107	-1.27681632	 1.9723833698	 0.096046
+19
+0 804	3.1622079	1.4272397	1.2609025	3.0268	74.68	-0.24703	-0.02818	0.21885	1046.606	0.158839	-422.584486	-422.576871	-422.575927	-422.616678	29.538
+O	 1.2999396983	-0.4542282253	-0.0108929439	-0.253223
+C	 0.1567918062	-0.0744006983	 0.0476544488	 0.064753
+C	-0.4228158813	 0.745001395	 1.1593617344	 0.198293
+C	-1.1709670593	 2.0268491465	 0.692514946	-0.267741
+C	-2.0235460112	 2.4019221902	 1.9480899969	-0.219196
+C	-1.6635997727	 1.2689387764	 2.9268442381	 0.106355
+C	-1.5330787808	 0.051327234	 2.000779385	-0.273412
+O	-0.3231084424	 1.473571699	 3.38895373	-0.282136
+C	 0.543668333	 1.1437274085	 2.2856539853	-0.102571
+H	-0.5714435674	-0.3266846157	-0.7589681013	 0.072456
+H	-0.4697098701	 2.813315707	 0.4022571483	 0.114558
+H	-1.8028200051	 1.8109714088	-0.1752840682	 0.10352
+H	-1.7491069531	 3.3713351179	 2.3687431695	 0.115261
+H	-3.0945829315	 2.4180858963	 1.7246290805	 0.101043
+H	-2.3135895754	 1.1705385899	 3.7971268288	 0.078566
+H	-1.1872825921	-0.845905619	 2.5190236027	 0.118038
+H	-2.4373405552	-0.1704112945	 1.4278628728	 0.104617
+H	 1.1591230104	 2.0108600336	 2.0203071053	 0.104702
+H	 1.2094385997	 0.3196830898	 2.5643184409	 0.116116
+19
+0 805	3.0000381	1.4609082	1.3278834	4.0184	74.33	-0.24982	-0.02153	0.22829	1038.6532	0.158725	-422.585616	-422.577906	-422.576962	-422.617999	29.664
+O	 1.3678371251	-0.3412417779	-0.2280364772	-0.245185
+C	 0.2147368445	-0.0423040156	-0.069293815	 0.074235
+C	-0.3540012789	 1.3454355996	-0.1640825955	 0.311586
+C	-0.9741913254	 1.8710937598	 1.1668951103	-0.270387
+C	-0.881151185	 3.4088641215	 0.9363225139	-0.215523
+C	-0.2572006579	 3.4626839057	-0.4761316797	 0.075234
+C	-1.3098987095	 3.0643006816	-1.5345972462	-0.21552
+C	-1.4029578554	 1.5265362206	-1.303992749	-0.270385
+O	 0.6252446567	 2.330404438	-0.471362053	-0.274302
+H	-0.5589226249	-0.8095139837	 0.1720894227	 0.072516
+H	-1.9945208214	 1.5138526278	 1.3235061914	 0.105303
+H	-0.3692404776	 1.5589570382	 2.021614631	 0.118302
+H	-1.8505214189	 3.9110736167	 0.9893150829	 0.101625
+H	-0.2171849971	 3.8752484111	 1.6671592296	 0.113021
+H	 0.31105312	 4.3652105873	-0.7005900743	 0.081217
+H	-2.2643273291	 3.5785263686	-1.3955345786	 0.101625
+H	-0.9471632549	 3.2885640248	-2.5398922018	 0.113024
+H	-2.4000573655	 1.1879838127	-1.013483858	 0.105304
+H	-1.1009593549	 0.9709319833	-2.1950806035	 0.11831
+19
+0 806	3.1238238	1.4628797	1.2847801	3.1082	74.7	-0.25008	-0.02734	0.22274000000000002	1039.0881	0.158633	-422.585642	-422.578006	-422.577062	-422.617817	29.644
+O	 0.1986282462	-0.1371512165	 0.9210626482	-0.263122
+C	 0.4287167114	-0.1462346687	-0.2615489039	 0.081846
+C	-0.283154991	 0.7222963541	-1.2650256603	 0.334704
+C	-0.7321605664	 2.1213293155	-0.8023575298	-0.244936
+C	-1.7584624894	 2.5140307961	-1.9143802403	-0.225118
+C	-1.7266528022	 1.2867253081	-2.8568642594	-0.051848
+C	-0.3376881243	 1.2234248752	-3.5119793933	-0.073736
+O	 0.5439080136	 0.8636887831	-2.4272513434	-0.323683
+C	-1.5891864138	 0.127407998	-1.8480073636	-0.262305
+H	 1.1809362664	-0.8278637754	-0.7155176621	 0.0895
+H	-1.179150705	 2.0723024309	 0.1929593532	 0.122347
+H	 0.1268658909	 2.7940577086	-0.758532467	 0.111885
+H	-2.7602430395	 2.6575935303	-1.4996229469	 0.103466
+H	-1.4833266615	 3.4365841449	-2.4329369739	 0.102551
+H	-2.55333466	 1.2236465259	-3.5660284209	 0.072703
+H	-0.2763017991	 0.4586772925	-4.2970274352	 0.10008
+H	-0.0233498728	 2.1838253001	-3.9373597551	 0.102333
+H	-2.3980877649	 0.0761210577	-1.1161620362	 0.116036
+H	-1.4368249888	-0.8521283102	-2.3084155202	 0.107297
+19
+0 807	2.6640956	1.5314274	1.2776564	3.1516	75.	-0.24651	-0.02759	0.21892	1057.4764	0.157409	-422.565507	-422.557395	-422.556451	-422.598456	30.547
+O	 0.0761110651	 0.0246967388	 0.9986585291	-0.262001
+C	 0.3420213002	-0.0122433134	-0.1761386171	 0.101546
+C	-0.2885663852	 0.876829654	-1.2171297199	 0.325301
+C	-0.9047237792	 2.2147302824	-0.7218896724	-0.278488
+C	-2.287097312	 1.8143964788	-1.3062713406	-0.230559
+C	-1.7154888891	 0.4376591083	-1.7497808686	-0.074163
+C	-1.4768724683	 0.2243286535	-3.2473502487	-0.235849
+C	-0.2137940284	 1.0567692956	-3.5160186838	-0.095871
+O	 0.5750336653	 0.9385215401	-2.3333227006	-0.30564
+H	 1.0686342331	-0.7413316696	-0.5980276555	 0.085258
+H	-0.8830401098	 2.2861264373	 0.3669818207	 0.129833
+H	-0.431044049	 3.0978941902	-1.1553819375	 0.10926
+H	-3.0923472297	 1.7509411775	-0.5721143519	 0.111469
+H	-2.631252914	 2.4367616086	-2.1372571485	 0.099476
+H	-2.1660117092	-0.4253207939	-1.2582535543	 0.086683
+H	-1.2799386675	-0.8324624709	-3.4527184284	 0.111455
+H	-2.3251856881	 0.5398446594	-3.861626012	 0.10827
+H	 0.3872878139	 0.696402605	-4.35443369	 0.115277
+H	-0.468301158	 2.1106270183	-3.7051171098	 0.098742
+19
+0 808	2.4137397	1.6155561	1.2655432	2.7011	75.15	-0.24728	-0.02994	0.21734	1057.6443	0.157761	-422.560714	-422.552588	-422.551643	-422.594084	30.231
+O	 0.7715805598	-1.0121523142	-0.6226336921	-0.258045
+C	 0.288424877	-0.0348085558	-0.1072506658	 0.087408
+C	 0.1295631912	 1.3106895979	-0.7594132658	 0.226743
+C	-1.0612611935	 2.1741131385	-0.2476122449	-0.288447
+C	-0.0989545662	 3.3353441296	 0.1121194705	-0.218922
+C	 1.1209106141	 2.4409883613	-0.2392356685	-0.074868
+C	 1.8922506494	 2.8256996186	-1.5004446757	-0.094435
+O	 1.0020357981	 2.5639170546	-2.5752584673	-0.25415
+C	 0.3779762784	 1.3180740725	-2.2748730854	-0.154215
+H	-0.0704976943	-0.0699842551	 0.9485925114	 0.073423
+H	-1.8236792364	 2.3904702337	-0.9995169461	 0.112079
+H	-1.5540186717	 1.7326027086	 0.6243307228	 0.105119
+H	-0.1905210786	 4.2029544841	-0.5456970328	 0.115302
+H	-0.1430745654	 3.6772291179	 1.1482106482	 0.103909
+H	 1.7672186182	 2.1763163116	 0.5996809254	 0.08112
+H	 2.1648242711	 3.8847217179	-1.538321045	 0.112158
+H	 2.8091255343	 2.2203327614	-1.5918275384	 0.096693
+H	-0.5392938024	 1.2548761602	-2.8660434231	 0.111308
+H	 1.030064957	 0.4735438368	-2.5368008376	 0.117821
+19
+0 809	2.4217327	1.5595902	1.3551871	3.1964	74.82	-0.24921	-0.02456	0.22465	1045.0962	0.157422	-422.562312	-422.554072	-422.553128	-422.596088	30.46
+O	 1.0532984932	-0.5794596513	-0.5235819417	-0.247507
+C	 0.1651543281	-0.1182519738	 0.1479850055	 0.065369
+C	 0.1950265272	 1.2272340747	 0.8165703709	 0.236728
+C	-0.91526352	 2.2164503842	 0.3244079945	-0.302386
+C	 0.1899008474	 3.2164584382	-0.1235075158	-0.243199
+C	 1.295547373	 2.2441554061	 0.3828125363	 0.076529
+O	 1.9951168819	 2.6449938732	 1.5449182233	-0.254054
+C	 1.1481427507	 2.422492169	 2.6639638113	-0.090691
+C	 0.3750390235	 1.1294334109	 2.3460753418	-0.298613
+H	-0.7799154024	-0.6887739718	 0.3128218203	 0.073768
+H	-1.5319888865	 1.8235098091	-0.4885723757	 0.110886
+H	-1.5816691996	 2.574965578	 1.113355138	 0.104862
+H	 0.2215923846	 3.4027079443	-1.1991322887	 0.111104
+H	 0.1875887825	 4.1769406295	 0.3964206943	 0.112297
+H	 2.0241428317	 1.9097405614	-0.355869568	 0.10244
+H	 1.7778724472	 2.3470335915	 3.5539826844	 0.117049
+H	 0.4521056593	 3.2641459652	 2.8088946484	 0.09414
+H	 0.9893047615	 0.2591323237	 2.5988938293	 0.122249
+H	-0.571495343	 1.0544196279	 2.8880823615	 0.10903
+19
+0 810	2.4380559	1.6026598	1.2960607	2.6488	74.85	-0.24382	-0.03189	0.21193	1053.9562	0.1576	-422.569037	-422.560968	-422.560024	-422.601863	30.393
+O	-0.0074970681	-0.6067452241	 0.6877206969	-0.260288
+C	 0.3745136029	-0.1393846505	-0.3553300496	 0.093394
+C	-0.4510267974	 0.776094217	-1.2299343823	 0.347933
+C	-1.348900564	 1.7620814315	-0.4839576417	-0.254697
+C	-2.4889149934	 2.0661533158	-1.4737172037	-0.225091
+C	-2.7392825233	 0.7157259286	-2.1756281766	-0.223966
+C	-1.3496590401	 0.0811757312	-2.3170779135	-0.10665
+C	-0.3786933715	 0.7432955115	-3.3150520067	-0.089159
+O	 0.3603304689	 1.3920029128	-2.2567221112	-0.337069
+H	 1.3791819461	-0.3674671211	-0.7771257143	 0.088448
+H	-1.7236375781	 1.2586028305	 0.4138646054	 0.12579
+H	-0.7916406984	 2.6492509223	-0.1712889245	 0.112713
+H	-3.3830442787	 2.4606964343	-0.9844097157	 0.102411
+H	-2.1574736728	 2.8162771734	-2.1997146314	 0.113339
+H	-3.3662645998	 0.0751206975	-1.5453357198	 0.111369
+H	-3.2468740218	 0.8196177446	-3.1402522628	 0.102837
+H	-1.3646262576	-1.0090442906	-2.3358435203	 0.08861
+H	 0.2533485418	 0.0495522969	-3.8825560098	 0.106116
+H	-0.8243426248	 1.4676750284	-4.0082322586	 0.10396
+19
+0 811	2.4733676	1.5293789	1.3405751	2.7573	74.73	-0.25336	-0.02798	0.22537999999999997	1051.1048	0.157521	-422.56604	-422.557839	-422.556895	-422.599634	30.341
+O	 1.006728523	-0.372765768	-0.727491829	-0.247442
+C	 0.1983826204	-0.0608108886	 0.1107053187	 0.067027
+C	 0.1684439639	 1.2555312668	 0.8309527076	 0.193342
+C	-0.9730278598	 2.2196463004	 0.4058343402	-0.122304
+O	-0.0328104427	 3.2553457572	 0.0779501306	-0.29591
+C	 1.1062088138	 2.3997983811	 0.3636228418	 0.101692
+C	 1.8930237995	 2.8596134103	 1.5848856276	-0.229235
+C	 0.9907293788	 2.4792331082	 2.7753806112	-0.217063
+C	 0.3706325457	 1.1275710307	 2.3587445346	-0.288517
+H	-0.609937218	-0.7685753487	 0.4125134919	 0.07506
+H	-1.5530658029	 1.8975843733	-0.4695183506	 0.107326
+H	-1.6655749045	 2.5168780473	 1.2037141158	 0.103624
+H	 1.7066203358	 2.2197418927	-0.5313196117	 0.094326
+H	 2.839159116	 2.3053520367	 1.6243963473	 0.105843
+H	 2.1298041067	 3.926017152	 1.5386077604	 0.113255
+H	 1.5305718129	 2.4153457934	 3.7233927202	 0.102874
+H	 0.2048747697	 3.2318297854	 2.8961867989	 0.117715
+H	 1.0747657288	 0.3127579697	 2.5681805007	 0.112304
+H	-0.5594450574	 0.8977117002	 2.8875167235	 0.106082
+19
+0 812	3.157237	1.1761542	0.9238864	3.9258	80.49	-0.24327	-0.05314	0.19013	1268.452	0.157831	-422.570001	-422.561582	-422.560638	-422.603253	31.287
+O	 1.2509618008	-0.760101651	-0.1819597972	-0.281744
+C	 0.2421801102	-0.0959189269	-0.0908389296	 0.097673
+C	 0.2136425437	 1.3770738264	-0.0295748234	 0.2051
+C	-0.9826515689	 1.9765365404	 0.0732344218	-0.119101
+C	-1.2565880619	 3.455525457	 0.0914465526	-0.248547
+C	-0.2518808469	 4.2737020646	-0.7374588237	-0.234522
+C	 1.1130794616	 4.4360908533	-0.0525267691	-0.064783
+O	 1.5355704975	 3.3031482131	 0.681329446	-0.234281
+C	 1.5522358204	 2.0858881569	-0.0381736252	-0.193966
+H	-0.7616187611	-0.5767989245	-0.0506979101	 0.069714
+H	-1.8567516644	 1.3279689355	 0.1344440508	 0.099509
+H	-2.2694298127	 3.62332148	-0.2914824297	 0.11023
+H	-1.269819062	 3.8111003836	 1.1319754941	 0.132681
+H	-0.1333868046	 3.7923868945	-1.7148957981	 0.110352
+H	-0.6555703363	 5.2734043613	-0.935085856	 0.104941
+H	 1.8709603422	 4.7157803069	-0.802768419	 0.091986
+H	 1.0679212399	 5.2425012238	 0.6871961196	 0.109738
+H	 1.9120239755	 2.2344423478	-1.0691639156	 0.106613
+H	 2.2811525369	 1.4327473373	 0.4500943117	 0.138407
+19
+0 813	3.2073193	1.1457246	0.9027219	2.9372	80.22	-0.25174	-0.05453	0.19721000000000002	1278.2659	0.157781	-422.570167	-422.56173	-422.560786	-422.603457	31.34
+O	 1.2899290957	-0.7677064494	 0.0129432925	-0.277742
+C	 0.2781887214	-0.1053727077	-0.0341004875	 0.095519
+C	 0.2328991628	 1.3702178106	 0.0465172254	 0.211055
+C	-0.9728838921	 1.9498664972	-0.0705602014	-0.114715
+C	-1.2821193978	 3.4179371049	 0.0046469663	-0.286721
+C	-0.2515254373	 4.2523326638	 0.7778548142	-0.061417
+O	 0.9561433872	 4.5217406149	 0.0988609979	-0.255937
+C	 1.6142054845	 3.434560146	-0.5356975016	-0.063904
+C	 1.5511596501	 2.0923088146	 0.198188219	-0.337191
+H	-0.718787976	-0.5877440162	-0.1485060793	 0.06923
+H	-1.8287594522	 1.2927332993	-0.2262424611	 0.098824
+H	-1.4109449826	 3.8310983419	-1.0064455682	 0.133641
+H	-2.256242969	 3.5420427322	 0.4951800069	 0.117104
+H	-0.6770046184	 5.2367303725	 0.9968484797	 0.111362
+H	-0.0588146484	 3.7607721724	 1.74465051	 0.094961
+H	 1.2216318185	 3.2980969493	-1.5558110352	 0.091585
+H	 2.6574253312	 3.7526590537	-0.6299936886	 0.112722
+H	 2.3288242293	 1.4338094874	-0.2027317392	 0.134658
+H	 1.8054980232	 2.2311660025	 1.25678763	 0.126967
+19
+0 814	3.2530451	1.1498584	0.9099288	3.0452	80.54	-0.24948	-0.05273	0.19675	1274.7686	0.157804	-422.570129	-422.561736	-422.560792	-422.603387	31.206
+O	 1.2959324691	-0.7793458334	 0.0305875736	-0.276796
+C	 0.3017913748	-0.0963006822	-0.0659993697	 0.095864
+C	 0.2731009572	 1.3770914	 0.0605778966	 0.21773
+C	-0.9135238972	 1.9763600085	-0.1215082886	-0.126171
+C	-1.2067096071	 3.4468251464	-0.0027297989	-0.14499
+O	-0.2809779188	 4.1583237131	 0.7846038732	-0.232864
+C	 0.9153133156	 4.5504290705	 0.1313671698	-0.069698
+C	 1.7183386831	 3.3881578229	-0.4764759446	-0.235916
+C	 1.5838928229	 2.0824541995	 0.3234411376	-0.296716
+H	-0.6921649312	-0.5561614994	-0.2674382758	 0.068127
+H	-1.775190626	 1.352372313	-0.3613498222	 0.09835
+H	-1.3107969068	 3.8938969906	-1.0086810071	 0.108739
+H	-2.1814965715	 3.5696699554	 0.486201758	 0.126762
+H	 0.6981114887	 5.3057893676	-0.6413930178	 0.090844
+H	 1.5001602901	 5.0394244967	 0.9167402372	 0.113678
+H	 1.4015497696	 3.2022843979	-1.5092766397	 0.104273
+H	 2.7694736318	 3.6944756625	-0.529551897	 0.106023
+H	 2.3844201237	 1.3860849959	 0.0588754714	 0.128927
+H	 1.693911052	 2.2829230345	 1.3963926439	 0.123833
+19
+0 815	2.5683555	1.6364016	1.5161154	3.4073	74.83	-0.24104	-0.01316	0.22788	979.8923	0.158405	-422.553465	-422.545769	-422.544824	-422.585658	29.472
+O	 1.3068891349	-0.42967979	 0.4450130163	-0.265343
+C	 0.1395499097	-0.2905828753	 0.175459531	 0.144463
+C	-0.6613002288	 0.9297258133	 0.5547081105	-0.074526
+C	-1.8121233348	 1.4742710723	-0.3514561436	-0.070221
+C	-1.4674912093	 2.8791500455	 0.2107573038	-0.22762
+C	-0.0228121876	 2.3411935232	 0.3837350151	-0.046185
+C	 0.6887604796	 2.3665147879	-0.976919509	-0.078925
+O	 0.0700657156	 1.4696210177	-1.8983188526	-0.257125
+C	-1.3485365661	 1.4125700336	-1.8145928531	-0.077424
+H	-0.4296691542	-1.0956700196	-0.3447160239	 0.07054
+H	-1.0259061921	 0.7924572744	 1.5797149594	 0.105706
+H	-2.826776711	 1.0892151892	-0.2295428434	 0.071334
+H	-1.6111519454	 3.7344930469	-0.4576999	 0.093743
+H	-1.9556772404	 3.0779959124	 1.1681909068	 0.100324
+H	 0.6081763833	 2.7485618833	 1.1749042991	 0.079128
+H	 0.6959416342	 3.3922042038	-1.378667547	 0.093002
+H	 1.7210526709	 2.0190277984	-0.8865275631	 0.132077
+H	-1.8127864355	 2.2324131195	-2.386934622	 0.094758
+H	-1.632451393	 0.4695802535	-2.2928531343	 0.112295
+19
+0 816	2.5086763	1.6141589	1.5049044	2.6495	74.45	-0.23787	-0.021	0.21687	991.5039	0.158501	-422.550971	-422.543225	-422.542281	-422.583381	29.654
+O	 0.0007638467	-0.9458750017	-0.2411502104	-0.251063
+C	 0.8013347018	-0.1695682792	 0.219088462	 0.144072
+C	 0.5097570055	 1.2198315959	 0.7059780847	-0.093673
+C	-0.8222539993	 1.9821662403	 0.4349236282	-0.051055
+C	 0.0233617926	 3.2906578326	 0.4955842588	-0.260835
+C	 1.1961009374	 2.4198081421	-0.0311987312	 0.110836
+O	 1.1482320072	 2.209980624	-1.4303655653	-0.274493
+C	-0.1728447113	 2.2653094891	-1.9845224683	-0.072933
+C	-1.2693857457	 1.7549594954	-1.0197870399	-0.238767
+H	 1.873344716	-0.4597516271	 0.325475412	 0.075857
+H	 0.7784446297	 1.2597261656	 1.7702098406	 0.095823
+H	-1.6398468975	 1.8478597995	 1.144998035	 0.072524
+H	-0.2907273402	 4.1471926932	-0.1046212048	 0.105347
+H	 0.212896772	 3.6159328536	 1.5212274043	 0.104136
+H	 2.2268089718	 2.6818681961	 0.2151817725	 0.081007
+H	-0.3867738839	 3.3027891061	-2.2751848537	 0.098721
+H	-0.1385828128	 1.6715863967	-2.901468734	 0.116176
+H	-2.1936393995	 2.3098641836	-1.2166846991	 0.096314
+H	-1.4741276103	 0.6949714641	-1.1758750413	 0.142005
+19
+0 817	3.4468574	1.1735662	1.1073342	2.677	75.15	-0.23972	-0.02486	0.21486	1165.4098	0.158491	-422.560126	-422.552248	-422.551304	-422.592836	29.794
+O	 0.6021650368	-1.0093400342	 0.5882750544	-0.262717
+C	 0.219180539	-0.0112161802	 0.0315849979	 0.142188
+C	-0.6071010998	 1.0605125699	 0.6836477314	-0.088664
+C	-1.7932641019	 1.5373640221	-0.1983052928	 0.077095
+C	-2.834246333	 2.272653171	 0.6531516908	-0.232387
+C	-2.2118831047	 3.5886164899	 1.1873950082	-0.185786
+C	-0.674698665	 3.5004118874	 1.3712389108	-0.232389
+C	-0.1077417503	 2.4956387119	 0.3621616975	 0.077118
+O	-0.9200697517	 2.506709361	-0.8477418299	-0.297274
+H	 0.4613978042	 0.1868633072	-1.0367827978	 0.090754
+H	-0.8081243185	 0.80471899	 1.7256259988	 0.087303
+H	-2.2240154963	 0.8312493824	-0.9136558257	 0.086578
+H	-3.7208359101	 2.5026419347	 0.0538182857	 0.10794
+H	-3.1623233405	 1.6126206065	 1.4645047212	 0.106677
+H	-2.4116422805	 4.3704463247	 0.45140242	 0.121947
+H	-2.6979794861	 3.9008733456	 2.1153721593	 0.100405
+H	-0.2289872246	 4.4878560063	 1.2149256369	 0.107942
+H	-0.3980356748	 3.1841909087	 2.3836778673	 0.106682
+H	 0.9541449376	 2.638112365	 0.143151596	 0.086589
+19
+0 818	2.9371186	1.3552365	1.2851708	2.8281	74.86	-0.24357	-0.02484	0.21873	1070.7025	0.15918	-422.581689	-422.574111	-422.573167	-422.614043	29.148
+O	 0.7391702387	-1.1364577049	-0.6226086712	-0.263612
+C	 0.6958130239	-0.0893590479	-0.0243316548	 0.134206
+C	 0.4858754644	 1.2446494365	-0.6901817755	-0.081303
+C	-0.8541155261	 1.976565585	-0.3674426166	-0.059374
+C	-0.6660378589	 3.286091969	-1.1694257162	-0.222405
+C	 0.8451791063	 3.6118319499	-0.938146555	-0.221099
+C	 1.3058854383	 2.4101925385	-0.0908178512	 0.084381
+O	 0.7699222798	 2.5408870004	 1.2327461373	-0.278853
+C	-0.6480705848	 2.3110515192	 1.119437501	-0.085678
+H	 0.8215818242	-0.0555645877	 1.0792508521	 0.093419
+H	 0.6248624018	 1.1198591917	-1.7669186384	 0.092712
+H	-1.7702047812	 1.4265055613	-0.5839453901	 0.083165
+H	-0.885038709	 3.1275109856	-2.2289360079	 0.106166
+H	-1.329842487	 4.0773742462	-0.8100669124	 0.105523
+H	 1.4019215997	 3.6781019509	-1.8773962648	 0.105087
+H	 1.0030309038	 4.5404663772	-0.3851186409	 0.114432
+H	 2.3847622	 2.2766114255	-0.0036337085	 0.084627
+H	-0.9359403481	 1.4933492068	 1.7912272868	 0.105064
+H	-1.1988400758	 3.2107441268	 1.4202278363	 0.103542
+19
+0 819	3.571439	1.041281	0.9237178	4.197	78.21	-0.2414	-0.01562	0.22578	1296.7122	0.157864	-422.556118	-422.547962	-422.547018	-422.589085	30.689
+O	 0.8059624107	-1.0230547457	-0.4546431046	-0.272297
+C	 0.4346717378	 0.0550452887	-0.058844889	 0.158955
+C	 0.156629767	 1.2244897078	-0.9124588709	-0.143266
+C	-0.9519753561	 2.1950130291	-0.4965104157	-0.082401
+C	-1.8519532467	 2.8415671509	-1.5370148355	-0.232243
+C	-1.0471372604	 3.6249239752	-2.5872427104	-0.220528
+C	 0.0701550691	 4.4092114767	-1.9048605949	-0.061511
+O	 1.0138812973	 3.540434718	-1.281005377	-0.253975
+C	 0.4679671933	 2.6313392968	-0.3799026888	 0.086094
+H	 0.2745302163	 0.241425792	 1.0317314277	 0.058256
+H	 0.3317095015	 1.079492127	-1.9726822509	 0.110067
+H	-1.443650271	 1.939583865	 0.4388555093	 0.098269
+H	-2.4949159223	 2.0924896942	-2.0114657494	 0.113107
+H	-2.5173778096	 3.5394051495	-1.0130562941	 0.10923
+H	-0.6029883402	 2.9497991888	-3.3275648074	 0.116039
+H	-1.7062413453	 4.3092785964	-3.1316891603	 0.104203
+H	 0.650173209	 4.993142408	-2.6238051986	 0.115047
+H	-0.3541178624	 5.1048195963	-1.1628776324	 0.092582
+H	 0.921067412	 2.6958198354	 0.6070314228	 0.104372
+19
+0 820	3.5428868	1.0432917	0.9342063	3.8311	77.75	-0.24549	-0.01534	0.23015000000000002	1285.9671	0.158366	-422.55924	-422.551196	-422.550252	-422.592129	30.31
+O	 0.8809367538	-0.9992445535	-0.2099139305	-0.27191
+C	 0.4446778901	 0.077989039	 0.1132325112	 0.157645
+C	 0.2035722922	 1.2106896801	-0.8015998874	-0.104218
+C	-0.9681705867	 2.1471070524	-0.4961225458	-0.058423
+C	-1.7776290276	 2.703230685	-1.6657874218	-0.239916
+C	-1.0700220311	 3.9007612466	-2.3116729923	-0.070397
+O	 0.3186250595	 3.6589416524	-2.4816521189	-0.238551
+C	 0.9993249584	 3.6523061771	-1.2417332789	-0.111425
+C	 0.434939143	 2.6217759888	-0.2810142464	-0.068832
+H	 0.1811856208	 0.2959800369	 1.1780581367	 0.058129
+H	 0.4274876905	 1.0281121894	-1.8474105857	 0.114749
+H	-1.5359555897	 1.8906825764	 0.3935303356	 0.095428
+H	-1.9428932742	 1.9214603798	-2.4147007083	 0.118457
+H	-2.7660615271	 3.0192954352	-1.3157402792	 0.1067
+H	-1.4731420521	 4.1061397446	-3.3069013748	 0.112393
+H	-1.2133974487	 4.8028921063	-1.6942010047	 0.090485
+H	 2.0503952273	 3.4474383391	-1.4679220577	 0.119242
+H	 0.9400735315	 4.6502096236	-0.7734654516	 0.095054
+H	 0.7868505603	 2.7118355406	 0.7434126506	 0.09539
+19
+0 821	4.5618327	0.7813715	0.7535189	1.9327	77.27	-0.25142	-0.02415	0.22726999999999997	1525.1062	0.155792	-422.528454	-422.519546	-422.518602	-422.563403	31.741
+O	 1.1736210955	-0.3519005456	 0.003750625	-0.243732
+C	 0.4646598635	 0.1514164634	 0.8395696918	 0.138238
+C	-0.3379949279	 1.4050638607	 0.637978599	-0.07098
+C	-1.8685232914	 1.1861556641	 0.3612266415	-0.263986
+C	-1.7783748615	 2.2845531297	-0.7390346609	 0.019875
+C	-0.2296870213	 2.1388440001	-0.7183109205	-0.267217
+C	-2.491120097	 2.0425084463	-2.0368535402	 0.079073
+C	-2.9635050049	 3.1391894948	-2.8922614111	-0.183718
+O	-3.8782617859	 2.3929915709	-2.0889001059	-0.239142
+H	 0.3321479235	-0.3285258149	 1.8372143493	 0.075467
+H	-0.1989387715	 2.0643530481	 1.501691821	 0.090747
+H	-2.0627695236	 0.1984604812	-0.0686132277	 0.116572
+H	-2.5600531544	 1.3533870779	 1.1881935021	 0.116411
+H	-2.090707176	 3.2525374469	-0.3355180986	 0.078359
+H	 0.1374462545	 1.453455398	-1.4876323303	 0.126392
+H	 0.3620490943	 3.055282748	-0.7519229372	 0.107191
+H	-2.2597201713	 1.0903276617	-2.5203099377	 0.092156
+H	-2.8016000052	 4.1705412443	-2.5802270228	 0.111678
+H	-3.0517979192	 2.9892573843	-3.9673956668	 0.116615
+19
+0 822	3.8517334	0.8705705	0.8517132	2.1003	76.61	-0.24227	-0.02941	0.21286000000000002	1431.3716	0.155583	-422.529008	-422.520059	-422.519115	-422.564239	31.962
+O	 0.890786827	 0.1173797248	-0.7398687127	-0.237493
+C	 0.3011188417	-0.2103155588	 0.2569807165	 0.134867
+C	-0.317300952	 0.7590740878	 1.2439247608	 0.059233
+C	-0.9404420739	 2.0451991264	 0.67924025	-0.326379
+C	-2.2658365834	 1.4875946598	 1.2544572401	 0.141126
+O	-1.5955675365	 0.2661472709	 1.6955933877	-0.31589
+C	-3.3986260474	 1.223719584	 0.3135671801	 0.019428
+C	-4.7759459363	 0.9344701381	 0.8563725056	-0.267076
+C	-4.5003508108	 2.2498682133	 0.1785074244	-0.272202
+H	 0.1463036733	-1.2780265527	 0.5318328637	 0.091479
+H	 0.385787832	 0.9013147158	 2.0800726314	 0.098818
+H	-0.587248417	 2.9795821064	 1.114686506	 0.114737
+H	-0.8971805572	 2.1105356488	-0.4092299122	 0.130021
+H	-2.6288927896	 2.0460920012	 2.12834872	 0.0725
+H	-3.110846439	 0.6953615454	-0.5914809895	 0.087772
+H	-5.3823886009	 0.2015184482	 0.3369115584	 0.118121
+H	-4.9036018195	 0.9337500949	 1.9337998114	 0.118769
+H	-4.91371213	 2.4239051127	-0.8081909361	 0.118133
+H	-4.4440610804	 3.1391431832	 0.7979785445	 0.114034
+19
+0 823	3.0722924	1.1366152	1.0140911	3.9098	77.44	-0.23383	-0.01256	0.22127000000000002	1240.0047	0.156867	-422.557901	-422.549343	-422.548399	-422.592158	31.419
+O	 0.572188448	-1.0113296535	-0.0421254035	-0.278722
+C	-0.0894115402	-0.027792526	 0.1939864607	 0.16586
+C	-1.0096889858	 0.6061070791	-0.7724194799	-0.182846
+C	-1.2155903715	 2.1278147214	-0.6918086638	-0.38127
+C	-2.3186750295	 1.2437879837	-0.2746728309	 0.443371
+C	-3.6270311585	 1.0210043609	-1.0435021587	-0.310214
+C	-4.6350676076	 0.6684883296	 0.0773170493	-0.21105
+C	-3.716686433	 0.3271730765	 1.2585287082	-0.095402
+O	-2.5960755407	 1.1954051437	 1.1000794911	-0.275318
+H	-0.0472861417	 0.4725370613	 1.1858638451	 0.080085
+H	-1.0238199947	 0.1442496114	-1.7543796429	 0.102058
+H	-0.6756207861	 2.6448842467	 0.0953345153	 0.13534
+H	-1.2922718637	 2.6680708748	-1.6286762956	 0.128678
+H	-3.9277139759	 1.9160363081	-1.5942934675	 0.116986
+H	-3.5229870273	 0.2073302742	-1.7655509401	 0.119371
+H	-5.2513941507	 1.5367451692	 0.3251886548	 0.115679
+H	-5.3013822839	-0.1540328543	-0.1915911327	 0.109757
+H	-4.1532031037	 0.5262812296	 2.2394116251	 0.114925
+H	-3.3953201934	-0.7249375662	 1.2213084361	 0.102713
+19
+0 824	3.2482155	1.1924277	1.0357593	1.8274	76.56	-0.25086	-0.02794	0.22292000000000003	1192.9808	0.157117	-422.555497	-422.546969	-422.546025	-422.590056	31.105
+O	 0.6081927935	 0.241744593	-0.6886283563	-0.275451
+C	 0.1202825009	-0.2197098598	 0.3188795559	 0.140034
+C	-1.0519956034	 0.3475450759	 1.0191585657	-0.157187
+C	-1.3117258653	 1.8464894765	 0.9009180207	-0.336449
+C	-2.2265977351	 0.9134235908	 0.2005348439	 0.323104
+C	-2.3085451279	 0.7798826008	-1.3246596451	-0.2961
+C	-3.8278825038	 0.7021085122	-1.55713785	-0.089029
+O	-4.3581952705	 0.1027224419	-0.3809325529	-0.240146
+C	-3.6606705607	 0.688489332	 0.7014773497	-0.145256
+H	 0.5423399736	-1.1388686355	 0.7820989085	 0.080171
+H	-1.3111870595	-0.1356868987	 1.9562607242	 0.091716
+H	-1.6613342918	 2.3550368385	 1.7941845592	 0.118608
+H	-0.5880624629	 2.3918027043	 0.3038646381	 0.139649
+H	-1.8429523028	 1.6181844326	-1.8464807889	 0.116001
+H	-1.8187896968	-0.1328238091	-1.670220541	 0.123788
+H	-4.2538699616	 1.7089145155	-1.7003889432	 0.090521
+H	-4.1138824297	 0.0811698158	-2.4089498197	 0.113497
+H	-4.1154355747	 1.6547787482	 0.981330769	 0.09139
+H	-3.7307419615	 0.0139678352	 1.5595543023	 0.111141
+19
+0 825	3.5528039	0.9951976	0.9358832	3.0801	76.84	-0.25479	-0.03759	0.2172	1317.5279	0.156564	-422.563252	-422.554739	-422.553795	-422.597098	31.502
+O	 1.0700310068	-0.7559105497	 0.5320374739	-0.251198
+C	 0.2041884515	-0.0648688649	 0.0575204076	 0.147409
+C	 0.3035981591	 1.4194332448	-0.0574532369	-0.144823
+O	-0.9439294167	 2.1168424651	-0.1788827982	-0.279641
+C	-0.0839855922	 2.1099648365	-1.3136841791	 0.433201
+C	-0.561177249	 1.3957192393	-2.5816112977	-0.288068
+C	-0.6559263519	 2.5233115621	-3.6253723064	-0.213191
+C	 0.527854144	 3.440215614	-3.2654081672	-0.206543
+C	 0.5317709221	 3.4559514588	-1.7234896466	-0.287694
+H	-0.747025573	-0.4866129538	-0.3349982134	 0.08715
+H	 1.0517899389	 1.8821764264	 0.5853860498	 0.110268
+H	 0.1862938908	 0.6584961366	-2.8981600542	 0.115177
+H	-1.5012506154	 0.8671240746	-2.4096604896	 0.117825
+H	-0.6190327877	 2.1561886669	-4.6539704525	 0.102272
+H	-1.6001978316	 3.0669968931	-3.5028362102	 0.109523
+H	 1.4606709617	 3.0028833153	-3.6404331562	 0.105469
+H	 0.4428392752	 4.4413237793	-3.6952457413	 0.104999
+H	 1.5257562131	 3.6124785471	-1.2973160406	 0.112046
+H	-0.1180874757	 4.2480718483	-1.3362381513	 0.125818
+19
+0 826	4.0177427	0.8191985	0.7227291	2.117	78.71	-0.25005	-0.01978	0.23027	1546.2918	0.156072	-422.532029	-422.523112	-422.522168	-422.566904	31.712
+O	 0.473143609	-1.2703136638	 0.4334196587	-0.267504
+C	 0.2012602134	-0.1480421195	 0.0868051617	 0.163926
+C	 0.009902147	 1.0002299318	 0.9985387652	-0.110574
+C	-0.9780456987	 2.0878092805	 0.6017665307	-0.302349
+C	 0.4821174214	 2.3746758485	 0.5248455668	-0.019404
+C	 1.1465418674	 3.2813894311	 1.5197860977	 0.145389
+C	 2.6914705059	 3.2817789979	 1.5988239358	-0.29779
+C	 2.5626021364	 4.7867614525	 1.2952158162	-0.062842
+O	 1.1371136849	 4.6660426852	 1.0953698758	-0.29183
+H	 0.0725559107	 0.1084074831	-0.9930650554	 0.063881
+H	 0.1126754951	 0.7653536201	 2.0526478069	 0.10748
+H	-1.5249335108	 1.9563180251	-0.3259076139	 0.127927
+H	-1.5530041868	 2.5328359764	 1.4060791368	 0.133949
+H	 0.9185918145	 2.4088263611	-0.4706869057	 0.096211
+H	 0.6575183302	 3.1733735167	 2.4996851206	 0.071284
+H	 3.126878852	 3.0100035495	 2.5609408359	 0.115521
+H	 3.1715288358	 2.6998491153	 0.80950025	 0.114917
+H	 2.8003590314	 5.4503418464	 2.1362917489	 0.103798
+H	 3.0716721113	 5.156014802	 0.3979927972	 0.108009
+19
+0 827	3.9123807	0.8004111	0.7052122	2.7409	78.08	-0.25204	-0.02104	0.23099999999999998	1566.6887	0.156076	-422.526948	-422.517979	-422.517035	-422.56213	31.621
+O	 0.7570783147	-1.1769016172	 0.184229422	-0.265963
+C	 0.4071553551	-0.0548005081	-0.0837340391	 0.164556
+C	 0.1347365589	 1.0096997061	 0.9053990432	-0.109113
+C	-0.9390104619	 2.0412796471	 0.5832691223	-0.308841
+C	 0.4953113421	 2.4481942141	 0.5338738476	-0.019603
+C	 1.0967381017	 3.3487198638	 1.5763573149	-0.042891
+C	 1.2051204365	 4.8594046359	 1.249520491	-0.086136
+O	 2.6268702029	 4.8539273455	 1.4788737208	-0.268801
+C	 2.6402702922	 3.4251414057	 1.6691334542	-0.085437
+H	 0.262716004	 0.2679779099	-1.1438978003	 0.062753
+H	 0.2571777666	 0.7108699895	 1.940908691	 0.107946
+H	-1.4775856444	 1.9282762619	-0.351918883	 0.127567
+H	-1.5483952695	 2.3750741254	 1.4158018504	 0.129494
+H	 0.9174254398	 2.5708407482	-0.4621123501	 0.098493
+H	 0.627112171	 3.1650292853	 2.5465439428	 0.082485
+H	 0.9548218985	 5.1202843291	 0.2117793973	 0.098641
+H	 0.6799232362	 5.5454650039	 1.9241501675	 0.105391
+H	 3.1707921786	 2.9058799605	 0.8591408055	 0.101792
+H	 3.0899531869	 3.1402162837	 2.627063332	 0.107665
+19
+0 828	4.3464969	0.7807969	0.698295	3.0364	78.86	-0.257	-0.03667	0.22033	1601.6789	0.155666	-422.529516	-422.520622	-422.519677	-422.564188	31.901
+O	 0.9581482937	-0.8724331244	 0.4968821654	-0.248943
+C	 0.2235193435	-0.017031259	 0.0741344731	 0.148495
+C	-0.843314521	 0.6415007129	 0.8818355006	-0.060639
+O	-1.2211199756	 1.9505471775	 0.4371243636	-0.245562
+C	-2.162204537	 0.900501858	 0.2530381846	 0.047508
+C	-3.4260762362	 0.9339659481	 1.0603318444	 0.021805
+C	-4.312441086	-0.3458600306	 1.0899643002	-0.23623
+C	-5.5656580363	 0.5669541749	 1.0048480211	-0.210137
+C	-4.6507484801	 1.7102832413	 0.4899199352	-0.23154
+H	 0.2767048889	 0.3558171988	-0.9737023443	 0.087182
+H	-0.7879159949	 0.4951863816	 1.9590801696	 0.115612
+H	-2.2841968644	 0.6005683496	-0.7913602736	 0.095777
+H	-3.194668929	 1.2740117355	 2.0741587979	 0.082396
+H	-4.1840455061	-0.9395029417	 0.1786918007	 0.104475
+H	-4.2103616956	-1.0095778103	 1.9512196138	 0.1065
+H	-6.3843651931	 0.2430318105	 0.3590726	 0.102504
+H	-5.9722461632	 0.7880569728	 1.9955652963	 0.108309
+H	-4.623011711	 1.7443279301	-0.6041608687	 0.103751
+H	-4.8224304067	 2.7214279745	 0.8641486901	 0.108737
+19
+0 829	3.1468286	0.8081403	0.6991869	3.7641	78.37	-0.2479	-0.01638	0.23152	1609.287	0.1553	-422.529362	-422.520193	-422.519248	-422.564595	32.636
+O	 0.607278916	-1.2078146776	 0.203268323	-0.26872
+C	 0.3416923449	-0.0637255783	-0.0703603175	 0.165275
+C	 0.0485027121	 0.9988170219	 0.9140781016	-0.093983
+C	-0.9540942634	 2.0841276655	 0.5355158892	-0.315698
+C	 0.4929599558	 2.4262670713	 0.5990468033	 0.006054
+C	 1.0622764303	 3.2886250784	 1.708272801	-0.261363
+C	 2.5405923175	 3.0492202715	 1.9098818055	 0.103039
+C	 3.4703571033	 4.1320153109	 2.2494854816	-0.179878
+O	 3.4059927622	 3.6136524092	 0.9194696566	-0.23626
+H	 0.300232836	 0.2817591175	-1.1320925278	 0.063476
+H	 0.0760476933	 0.6772384469	 1.9499360678	 0.103158
+H	-1.428236294	 2.0106984416	-0.4377929794	 0.126229
+H	-1.6084796332	 2.4284876488	 1.3289975141	 0.126522
+H	 0.9973979889	 2.5505224478	-0.3560557756	 0.11309
+H	 0.9056531934	 4.3465126223	 1.4658637602	 0.111991
+H	 0.5291739016	 3.0889445535	 2.6467799242	 0.104011
+H	 2.813244487	 2.0336236414	 2.2022045851	 0.10134
+H	 3.090114597	 5.14535071	 2.3746570611	 0.113524
+H	 4.3862752512	 3.9103293575	 2.7951655261	 0.118192
+19
+0 830	3.3408888	0.8326868	0.7297041	2.7029	79.19	-0.24428	-0.01773	0.22655	1569.6435	0.154668	-422.518864	-422.5097	-422.508755	-422.5539	33.11
+O	 0.4982321939	-1.2662988595	 0.2516974585	-0.269097
+C	 0.2267603659	-0.1292849358	-0.0489687123	 0.163119
+C	 0.0594597397	 0.983620547	 0.9039127688	-0.134601
+C	-0.9010776224	 2.1282001091	 0.5699983161	-0.327487
+C	 0.5508535132	 2.3826276291	 0.4978880613	 0.117945
+O	 1.1036898468	 3.1869117858	 1.4839316443	-0.247111
+C	 2.4764806642	 2.9677111349	 1.6727120013	 0.135089
+C	 3.2523692595	 4.118280084	 2.2183715558	-0.2863
+C	 3.4566574583	 3.6825988292	 0.7795090116	-0.287875
+H	 0.0886870379	 0.1644992211	-1.1183584196	 0.059253
+H	 0.1697502435	 0.7266362066	 1.9513153058	 0.116159
+H	-1.4621502666	 2.0665648921	-0.3564340991	 0.127344
+H	-1.4385727504	 2.5500309892	 1.4106684645	 0.142294
+H	 1.0195016688	 2.4702371136	-0.4819985911	 0.101881
+H	 2.719552592	 1.9602013516	 2.0062571786	 0.098784
+H	 2.7009864949	 5.0372230198	 2.3805001449	 0.129351
+H	 4.0304906908	 3.9177194149	 2.9456513043	 0.119675
+H	 3.0436495154	 4.3265058138	 0.0110239018	 0.122102
+H	 4.3768732546	 3.1778428433	 0.5074457846	 0.119474
+19
+0 831	3.4532492	0.7544555	0.6742034	2.9393	77.85	-0.25749	-0.03701	0.22048	1673.875	0.155009	-422.526754	-422.517539	-422.516595	-422.562074	32.849
+O	 0.9311002303	-0.8711221404	 0.3241989961	-0.248815
+C	 0.1661685101	-0.0228078056	-0.0571962189	 0.149187
+C	-0.8405743433	 0.6458192665	 0.8165090492	-0.049182
+O	-1.2507048549	 1.9505924411	 0.384543575	-0.247259
+C	-2.2006281725	 0.901193659	 0.2839131015	 0.079494
+C	-3.4049016553	 0.9453002635	 1.1976233755	-0.266225
+C	-4.0941795067	-0.3998426445	 1.2985682481	 0.030283
+C	-5.5597189826	-0.4814715085	 1.6380380275	-0.273528
+C	-5.0906712769	-0.8285073057	 0.2471909998	-0.258209
+H	 0.1427260022	 0.333743606	-1.1116608064	 0.087684
+H	-0.7059585659	 0.51395815	 1.8887264896	 0.115189
+H	-2.402135959	 0.5837578255	-0.7413146972	 0.103984
+H	-3.086979455	 1.2992810326	 2.1852308293	 0.113422
+H	-4.1092050162	 1.6916697171	 0.8073932331	 0.109883
+H	-3.4691072821	-1.1907879796	 1.7052958816	 0.092069
+H	-5.8925419397	-1.2845033039	 2.285762293	 0.116985
+H	-6.1000788231	 0.449801673	 1.7729147342	 0.114673
+H	-5.1047370921	-1.8684521315	-0.0588277942	 0.117673
+H	-5.3191674771	-0.1291977745	-0.5509247966	 0.112692
+19
+0 832	4.9531179	0.8902488	0.8754594	3.0755	76.43	-0.24484	-0.0327	0.21214	1372.2198	0.155657	-422.537629	-422.528954	-422.52801	-422.572079	31.634
+O	 1.3689318551	-0.0890097853	 0.3256212322	-0.240264
+C	 0.2224243276	-0.0788764765	-0.0387454537	 0.138095
+C	-0.3093434798	 0.806711668	-1.1459756097	 0.040335
+C	-1.0767789969	 2.0629050624	-0.6559360332	-0.37464
+C	-2.2828900422	 1.4326738718	-1.3873684444	 0.467838
+C	-3.6308085339	 1.2344537905	-0.6641344731	-0.287043
+C	-4.2021561217	 2.4079604048	-1.5086983391	-0.215155
+C	-3.0183946907	 2.2141485917	-2.4973030366	-0.287081
+O	-1.5023912538	 0.273734522	-1.7462746793	-0.324949
+H	-0.5625670231	-0.712735424	 0.4349901838	 0.084984
+H	 0.4854633825	 0.999336399	-1.8748589397	 0.103301
+H	-1.1856141546	 2.1430036977	 0.4283301438	 0.120237
+H	-0.7107344206	 3.01004592	-1.0536738653	 0.125006
+H	-4.0697672523	 0.2755760626	-0.9547845744	 0.118551
+H	-3.6408966159	 1.3151797957	 0.4260546066	 0.098288
+H	-5.2105050986	 2.2903645593	-1.9081839674	 0.107479
+H	-4.1463423459	 3.3625792337	-0.9794457357	 0.1078
+H	-3.2804193908	 1.5369920104	-3.3153717673	 0.118555
+H	-2.5266955243	 3.0987661862	-2.9105331474	 0.098659
+19
+0 833	3.4163574	1.1916551	1.053645	1.3096	75.67	-0.24467	-0.02411	0.22056	1181.4995	0.156017	-422.537917	-422.529295	-422.528351	-422.572166	31.299
+O	 1.0386452231	 0.3884984375	 0.7535317215	-0.24539
+C	 0.083350629	 0.0553548381	 0.096350035	 0.14859
+C	-0.7433099535	 0.9757766364	-0.7608332312	-0.101562
+C	-2.016445449	 1.4797234751	 0.0128511543	-0.316062
+C	-1.2665596184	 2.8052754594	 0.2860263736	 0.480503
+C	-0.8021930256	 3.1767361061	 1.7108090881	-0.339759
+C	-1.6066794577	 4.469523534	 1.4798374748	-0.081909
+O	-2.0004209443	 4.0315083395	 0.159826293	-0.313583
+C	-0.2437275331	 2.4406643023	-0.8140984852	-0.306596
+H	-0.2781824873	-0.999067563	 0.1149673204	 0.076733
+H	-0.9588911194	 0.4764484808	-1.7098524135	 0.089795
+H	-2.8551029832	 1.6438027591	-0.667849584	 0.123503
+H	-2.3593300569	 0.8995634784	 0.8746483934	 0.105179
+H	-1.1772181486	 2.5270324683	 2.5035852397	 0.111511
+H	 0.2754265835	 3.2959273159	 1.8267641041	 0.126457
+H	-2.4735444873	 4.6206264316	 2.1335947985	 0.103741
+H	-1.0235886767	 5.3970333551	 1.4427846416	 0.105631
+H	-0.5076969488	 2.9265137357	-1.7565728161	 0.113276
+H	 0.8118686843	 2.6029765795	-0.5891069579	 0.119945
+19
+0 834	4.6410308	0.8916874	0.8625086	2.1953	76.32	-0.24928	-0.02652	0.22276	1364.9873	0.155956	-422.527625	-422.518885	-422.517941	-422.562462	31.168
+O	 1.0937571975	-0.3775452932	-0.1033389686	-0.241702
+C	-0.0363120612	-0.2683501399	-0.509485385	 0.138329
+C	-0.7573891131	 1.0375314319	-0.6923776616	-0.070965
+C	-1.7775905628	 1.395786466	 0.4484434111	-0.320829
+C	-1.1970457967	 2.8318376449	 0.4647505456	 0.309328
+C	-2.0629342364	 4.0124017807	-0.0276550554	-0.12469
+O	-1.897852144	 4.7158611964	 1.217941269	-0.272523
+C	-1.0625238692	 3.6668313603	 1.7490190922	-0.136155
+C	 0.0071289006	 2.3436457638	-0.374222929	-0.315576
+H	-0.6463103212	-1.1713587796	-0.7447295978	 0.076478
+H	-1.2526855793	 1.040258403	-1.6690335064	 0.09194
+H	-2.8402593034	 1.2907469443	 0.2171745857	 0.112584
+H	-1.563569265	 0.8545040911	 1.3755260295	 0.116782
+H	-1.650927433	 4.5757362172	-0.8761283287	 0.09977
+H	-3.1168742689	 3.7792475558	-0.2322964444	 0.098041
+H	-0.0470984485	 4.0205885407	 1.9725694595	 0.103545
+H	-1.490958218	 3.2163891953	 2.6545861042	 0.099912
+H	 0.3017203033	 2.9682608586	-1.2209683694	 0.107086
+H	 0.8911553394	 2.1317961029	 0.2335367294	 0.128645
+19
+0 835	3.5310208	1.2339307	1.144211	3.5503	74.33	-0.24298	-0.01332	0.22966	1119.8244	0.158333	-422.559487	-422.551617	-422.550672	-422.592713	29.708
+O	 1.1595213039	-0.4362235445	 0.098298684	-0.255154
+C	 0.0328197204	-0.0236279062	 0.0010068911	 0.147496
+C	-0.3706268209	 1.4353184234	 0.1385203927	-0.050494
+C	-1.0013904593	 1.9002483637	-1.2167063036	-0.260772
+C	-2.5234152798	 1.9732724509	-1.1083030457	 0.103046
+C	-2.963476769	 2.9580168494	-0.0100076846	-0.242576
+C	-2.7904719687	 1.7122265192	 0.877513435	 0.103047
+C	-1.3472876714	 1.56216217	 1.3553616946	-0.260772
+O	-2.9851312713	 0.8557785844	-0.2892745651	-0.29831
+H	-0.8246507055	-0.7028470908	-0.2036338958	 0.095831
+H	 0.5492318001	 1.9900122794	 0.3351391462	 0.093145
+H	-0.602461852	 2.876961103	-1.5106341423	 0.111142
+H	-0.7215931227	 1.1998990898	-2.0124813196	 0.114677
+H	-3.0228606941	 2.0050477649	-2.0797901718	 0.081688
+H	-2.333315466	 3.8281840895	 0.1891258851	 0.098169
+H	-4.0077509224	 3.2568844656	-0.1111460802	 0.11233
+H	-3.5259224652	 1.5133097687	 1.6609593472	 0.081688
+H	-1.0720059721	 2.4180239119	 1.9808454021	 0.111143
+H	-1.2600751541	 0.6735768177	 1.9916324608	 0.114676
+19
+0 836	3.2143639	1.3901662	1.2809605	2.1556	74.44	-0.2394	-0.02727	0.21213	1050.165	0.158169	-422.553259	-422.545652	-422.544708	-422.585473	29.624
+O	 0.4144468087	 0.3366005519	-0.8175424307	-0.243425
+C	-0.0731576348	-0.1305547217	 0.1782938341	 0.139669
+C	-0.5031996801	 0.6756309005	 1.4083691117	 0.018424
+C	-0.9784931996	 2.1030545483	 1.0489619517	-0.250207
+C	-2.5122757304	 2.154476296	 1.0375876644	-0.017323
+C	-3.0316016797	 1.7274924857	 2.441173595	-0.227299
+C	-2.8044451345	 0.27591301	 1.948482187	 0.13
+C	-3.0713385881	 0.7988011845	 0.5102966989	-0.264257
+O	-1.4435340051	-0.1019382659	 2.1469742849	-0.286029
+H	-0.2361260658	-1.2240042965	 0.3061730446	 0.092157
+H	 0.3992462658	 0.726564974	 2.0348309437	 0.113391
+H	-0.5909020353	 2.8300903827	 1.7697448199	 0.103673
+H	-0.5581030864	 2.3516389198	 0.0693552681	 0.131336
+H	-2.8830571852	 3.0831791883	 0.5995487607	 0.068842
+H	-2.4667634104	 2.0423615716	 3.322544812	 0.096291
+H	-4.093149291	 1.9506249875	 2.5762760939	 0.099611
+H	-3.4037358731	-0.5407686019	 2.3539463812	 0.078638
+H	-2.5773459319	 0.3073853077	-0.3320692323	 0.10985
+H	-4.1444485432	 0.8509611477	 0.3112891512	 0.106659
+19
+0 837	3.430213	1.3357285	1.2471406	1.1906	74.24	-0.24412	-0.02419	0.21993000000000001	1057.7937	0.158976	-422.583941	-422.576446	-422.575502	-422.616185	28.95
+O	 0.9914132553	-0.5765492743	-0.7249679122	-0.247629
+C	 0.2076858725	-0.0864593203	 0.0481970057	 0.134293
+C	 0.3199410651	 1.293691773	 0.6525243902	-0.078621
+C	-0.9096879134	 2.1956598103	 0.2565610352	-0.247418
+C	-0.1989930121	 3.3948823208	-0.402352806	 0.117363
+C	 0.9633632457	 2.7343269457	-1.1531318856	-0.238155
+C	 1.5283593019	 2.1136819531	 0.1431657398	-0.041714
+C	 1.6193931779	 3.3787324522	 1.0084266957	-0.087004
+O	 0.4567232253	 4.1446887344	 0.6316318037	-0.282745
+H	-0.7003610168	-0.6481944618	 0.3719534704	 0.078919
+H	 0.3476467773	 1.1539161535	 1.7411319498	 0.094766
+H	-1.582605515	 1.6893785336	-0.445512752	 0.102656
+H	-1.4953994454	 2.5120641905	 1.1211564694	 0.116357
+H	-0.8499112143	 4.0733462637	-0.9545420999	 0.077521
+H	 0.6570858049	 1.9901431783	-1.89064933	 0.114954
+H	 1.6327508391	 3.462592445	-1.6169543168	 0.106023
+H	 2.4517015859	 1.5433206722	 0.0574430269	 0.086519
+H	 1.5890887812	 3.1690844756	 2.0848367682	 0.095565
+H	 2.5255484048	 3.9609629145	 0.7952648475	 0.098351
+19
+0 838	3.6227177	1.2089802	1.1314313	3.0779	74.67	-0.24438	-0.01986	0.22452	1132.7461	0.159254	-422.588254	-422.580653	-422.579709	-422.620835	29.083
+O	 1.3471817145	-0.3693987293	 0.0774274883	-0.257038
+C	 0.1843610592	-0.0585521786	 0.1245992933	 0.140772
+C	-0.4458211635	 0.7703632537	 1.2168326009	-0.062078
+C	-1.1670685059	 2.0338050124	 0.6403852593	-0.255214
+C	-2.6230062714	 1.7873380034	 1.0919764822	 0.084077
+C	-2.7527461817	 2.0155755594	 2.6142183396	-0.217779
+C	-2.0566697346	 0.7345171612	 3.1681318393	-0.224718
+C	-1.6619625826	 0.0268905631	 1.8536470495	 0.050193
+O	-2.7369744296	 0.3611065435	 0.9712701152	-0.259516
+H	-0.5333008194	-0.3793459548	-0.665675155	 0.085917
+H	 0.3257151698	 1.0107834665	 1.9508391822	 0.090708
+H	-0.7414011105	 2.9649285882	 1.0201071583	 0.11158
+H	-1.1093750063	 2.0574136985	-0.4521699218	 0.111021
+H	-3.3853016791	 2.2672009912	 0.4785839219	 0.08288
+H	-2.2729227907	 2.9417316175	 2.9401420255	 0.102937
+H	-3.8030865914	 2.0572703593	 2.910190936	 0.110526
+H	-1.1963008506	 0.9482596221	 3.8064698986	 0.106281
+H	-2.7544233075	 0.115592136	 3.7364134936	 0.110386
+H	-1.5612595686	-1.0571880132	 1.9158339131	 0.089066
+19
+0 839	3.2428749	1.3096881	1.2339723	3.7793	74.75	-0.23839	-0.01762	0.22077	1080.4983	0.159077	-422.582822	-422.575261	-422.574316	-422.61543	29.057
+O	 1.1861962923	-0.5491166188	 0.0108875921	-0.260353
+C	 0.0588729283	-0.1294432774	 0.0872687089	 0.15349
+C	-0.4504346548	 0.7485290691	 1.2051978056	-0.070565
+C	-1.1271543536	 2.0707446225	 0.6930535019	-0.255299
+C	-2.5444356344	 2.0063783477	 1.3125735343	-0.037108
+C	-3.3033951997	 0.867901745	 0.6160065331	-0.074304
+O	-2.6286504046	-0.3242304581	 1.0717361373	-0.281568
+C	-1.6245810855	 0.1092407112	 2.0002101283	 0.08718
+C	-2.2642105451	 1.3305924977	 2.6711511986	-0.233471
+H	-0.697991516	-0.3692366995	-0.6909268426	 0.085563
+H	 0.3923308248	 0.9523305542	 1.8711431896	 0.09141
+H	-0.5719393424	 2.9446423711	 1.0423393704	 0.112084
+H	-1.1639684789	 2.1232186878	-0.400457429	 0.106694
+H	-3.0802335676	 2.9559477883	 1.3278746044	 0.074055
+H	-4.359963465	 0.8226910764	 0.9100701649	 0.10129
+H	-3.2494669431	 0.9245261677	-0.4779746962	 0.100146
+H	-1.3478238166	-0.7390818421	 2.6261745627	 0.087831
+H	-3.1658200718	 1.0730617918	 3.2327848457	 0.108414
+H	-1.5769477264	 1.8922024055	 3.3085622	 0.104513
+19
+0 840	3.4683092	1.3263717	1.212352	2.5284	74.11	-0.23886	-0.02836	0.2105	1078.8462	0.158617	-422.584722	-422.577121	-422.576177	-422.617279	29.22
+O	 0.3832385909	-1.067783495	 0.2450914721	-0.248625
+C	 0.1347123614	 0.0678334133	-0.0682940251	 0.129303
+C	-1.2443990819	 0.5494476364	-0.4967439962	 0.032938
+O	-1.299470362	 1.9813009642	-0.3967240187	-0.297135
+C	-2.4005183245	 2.2753608613	 0.4878406958	 0.114534
+C	-3.7108747877	 1.9854947369	-0.2697519735	-0.212202
+C	-3.7222894681	 0.4208007103	-0.3108529952	-0.235192
+C	-2.3972667347	 0.0554042427	 0.3990130942	-0.030981
+C	-2.3350723157	 1.1304601654	 1.5071029377	-0.240961
+H	 0.9079291053	 0.8685788082	-0.0737265809	 0.09103
+H	-1.3863530975	 0.2430793501	-1.5448799275	 0.100476
+H	-2.2733891052	 3.2956428976	 0.8496367135	 0.078012
+H	-4.5771761216	 2.3890722545	 0.2629907102	 0.099852
+H	-3.685412867	 2.438897304	-1.2630428944	 0.110642
+H	-4.575509291	 0.0128302086	 0.2387115076	 0.101931
+H	-3.7685262226	 0.024373026	-1.3287923972	 0.103059
+H	-2.2851296105	-0.9856781385	 0.6976999811	 0.092173
+H	-3.1923331244	 1.0985746865	 2.1840494751	 0.102279
+H	-1.4080766232	 1.1255932875	 2.0857925314	 0.108864
+19
+0 841	3.938702	1.0832061	0.9921263	3.2974	75.48	-0.25112	-0.02595	0.22517	1231.7241	0.157409	-422.561332	-422.553185	-422.55224	-422.594827	30.205
+O	 1.4531818259	 0.0175774788	 0.0789817893	-0.248641
+C	 0.2865625531	-0.0797366497	-0.1950335092	 0.148511
+C	-0.4095466378	 0.7248216845	-1.2745421736	 0.033497
+C	-1.0583888291	 2.008894778	-0.7001796852	-0.25344
+C	-2.2516013145	 2.2288637331	-1.6349761826	-0.040893
+C	-1.9436923	 2.8064019877	-3.0497004096	-0.236201
+C	-2.2429179113	 1.4178666254	-3.6864124453	-0.238353
+C	-2.4960113879	 0.8244441892	-2.2714987518	 0.117343
+O	-1.4871690291	-0.0475510743	-1.781037573	-0.275691
+H	-0.4051470748	-0.7580893365	 0.3541245357	 0.086467
+H	 0.3206458838	 0.9730702112	-2.0577903824	 0.093097
+H	-1.4073013774	 1.8230935724	 0.32212172	 0.108878
+H	-0.3546964423	 2.8440071451	-0.6734983539	 0.121546
+H	-3.0998077999	 2.6889587542	-1.126324874	 0.077097
+H	-2.617361641	 3.6069042311	-3.3619883639	 0.106223
+H	-0.9170058283	 3.1611521643	-3.177456247	 0.102298
+H	-3.1233059243	 1.3997628781	-4.3332106476	 0.10451
+H	-1.4143065612	 0.9439385372	-4.2176015618	 0.111882
+H	-3.4572379439	 0.3290938203	-2.1192712441	 0.081871
+19
+0 842	3.7977516	1.0542989	0.9848425	3.2955	75.79	-0.25002	-0.02266	0.22736	1238.7939	0.157967	-422.565509	-422.557509	-422.556564	-422.598714	29.789
+O	 1.7246420412	 0.1689922441	 0.7544299419	-0.248295
+C	 0.7240689936	 0.2494435302	 0.0912702044	 0.150731
+C	 0.3276017627	 1.4250791734	-0.7670975237	-0.06359
+C	-1.0516251525	 2.005891092	-0.3550281336	-0.252348
+C	-1.5830089035	 2.7191388533	-1.6074659962	-0.07225
+C	-0.8749234947	 4.0337047582	-1.9916965701	-0.078814
+O	-0.0891152981	 3.3717119713	-3.0060927495	-0.295448
+C	-0.7912945091	 2.1232681683	-2.8039031768	 0.128116
+C	 0.114747166	 1.0282100127	-2.2487551291	-0.248502
+H	-0.0179077959	-0.5872399025	 0.0679219642	 0.064568
+H	 1.109837977	 2.1838506811	-0.6872927295	 0.107046
+H	-1.728829735	 1.1848749405	-0.0857536192	 0.103932
+H	-0.9802184407	 2.6646645332	 0.515399195	 0.115782
+H	-2.6716669933	 2.7353169225	-1.6647117392	 0.080744
+H	-1.5300884206	 4.800612272	-2.4238040325	 0.102803
+H	-0.2479987613	 4.4959162027	-1.218549379	 0.103232
+H	-1.3421187157	 1.8252623256	-3.7027141053	 0.075486
+H	-0.4052065103	 0.0623968033	-2.3123752131	 0.100325
+H	 1.0507349101	 0.9457540578	-2.8069858187	 0.126482
+19
+0 843	3.8709232	1.157377	1.0093678	2.5336	76.03	-0.24538	-0.02144	0.22393999999999997	1193.9607	0.157925	-422.562617	-422.5546	-422.553656	-422.595908	29.827
+O	-0.3589607528	-0.6162011265	-0.6172865729	-0.244519
+C	 0.4836010166	-0.0541222399	 0.038371835	 0.12603
+C	 0.4217113314	 1.3790133363	 0.479710864	-0.104084
+C	-0.8171202452	 2.196005487	 0.0418399123	-0.266499
+C	-1.2391469871	 2.3904528878	 1.5258263484	-0.031549
+C	-0.9629514317	 3.7628863753	 2.1570823011	-0.232497
+C	 0.5432684023	 3.707430108	 2.4614026382	-0.090299
+O	 0.8123966736	 2.3450103484	 2.792374565	-0.247702
+C	-0.0169936165	 1.5373052573	 1.9950045319	 0.088578
+H	 1.3779674211	-0.6060926991	 0.4093546126	 0.079127
+H	 1.3980201227	 1.8454334332	 0.3140797181	 0.096337
+H	-0.5988754786	 3.1165571036	-0.5053036954	 0.098316
+H	-1.5132619192	 1.5924623016	-0.5429401582	 0.131455
+H	-2.227691702	 2.0043396957	 1.7764529357	 0.081424
+H	-1.228229422	 4.597059774	 1.5015878354	 0.105929
+H	-1.5272657187	 3.8685652809	 3.088549934	 0.110873
+H	 1.1349619471	 4.0169614179	 1.5857302325	 0.09512
+H	 0.8500285936	 4.3209186115	 3.3116981968	 0.114583
+H	-0.1948745245	 0.6010217069	 2.5284955656	 0.089375
+19
+0 844	3.6136886	1.1794229	1.0363644	1.6828	75.46	-0.25151	-0.02235	0.22916	1179.6429	0.157965	-422.560598	-422.552576	-422.551632	-422.594145	29.643
+O	 0.565446588	-0.9945394922	 0.4553105758	-0.244716
+C	 0.4631492724	 0.0125454382	-0.1999334506	 0.135428
+C	 0.3763003219	 1.405314518	 0.3575809994	-0.078153
+C	-1.0417308249	 2.0583547982	 0.2055820538	-0.258744
+C	-1.1027946644	 2.2511810188	 1.7463140275	-0.026815
+C	-0.8159286352	 3.6709181776	 2.2493757841	-0.091985
+O	 0.5919065374	 3.8502246275	 2.1342724478	-0.249584
+C	 1.1760423587	 2.6092763976	 2.5198297207	-0.111632
+C	 0.2857312732	 1.53526619	 1.8974716077	-0.043484
+H	 0.3942331441	-0.0369080353	-1.3121316127	 0.075588
+H	 1.1621978391	 2.014073861	-0.1045970465	 0.098207
+H	-1.0638551751	 2.9793524472	-0.3816535625	 0.111834
+H	-1.8017670593	 1.3766439099	-0.185439097	 0.109414
+H	-1.9637857139	 1.7980017418	 2.239259215	 0.078783
+H	-1.3016123129	 4.458328224	 1.6655329102	 0.108083
+H	-1.132339576	 3.7703219229	 3.3008961324	 0.089682
+H	 2.2089478226	 2.6000865719	 2.1597283564	 0.109765
+H	 1.1867266349	 2.5105013928	 3.6178748504	 0.091253
+H	 0.3118727295	 0.5775036901	 2.416551308	 0.097078
+19
+0 845	3.6295382	1.1786382	1.0376759	2.0444	75.35	-0.24803	-0.02353	0.2245	1178.6005	0.157794	-422.562129	-422.554086	-422.553142	-422.595482	29.868
+O	 0.589265107	-0.885147763	 0.2771432424	-0.242581
+C	 0.4932427429	 0.1756760776	-0.2875623282	 0.136975
+C	 0.400288446	 1.5151077529	 0.3905083783	-0.100113
+C	-1.0391264408	 2.1432502726	 0.3298653989	-0.277459
+C	-1.0680803629	 2.172007673	 1.8874963744	 0.121084
+O	-0.9580680846	 3.4526404679	 2.4774651917	-0.25629
+C	 0.4153325204	 3.8335315604	 2.478641915	-0.087814
+C	 1.2037630508	 2.5288610111	 2.6782536297	-0.243788
+C	 0.3406069205	 1.5011308724	 1.9403720339	-0.047396
+H	 0.4334510397	 0.2242638284	-1.400102193	 0.07638
+H	 1.1657665685	 2.170187137	-0.0425543241	 0.088658
+H	-1.103723222	 3.1284584973	-0.1356764036	 0.117218
+H	-1.7940683815	 1.491297088	-0.1180792938	 0.11219
+H	-1.9156165824	 1.6636959244	 2.3514355188	 0.086112
+H	 0.6880724135	 4.3164407086	 1.5262759358	 0.089694
+H	 0.5571581733	 4.565181279	 3.2781612573	 0.112578
+H	 2.2267546457	 2.5910190576	 2.2959766169	 0.103466
+H	 1.2530150635	 2.2793151277	 3.7424909166	 0.112573
+H	 0.3973119026	 0.494939177	 2.3542935232	 0.098514
+19
+0 846	3.6676878	1.1878883	1.0264852	2.3363	74.93	-0.24244	-0.02985	0.21259	1189.0377	0.157581	-422.567085	-422.559013	-422.558069	-422.60062	29.964
+O	 0.8246376276	-0.9306835626	 0.3239363838	-0.24179
+C	 0.2558381872	 0.020573367	-0.1457526104	 0.125118
+C	 0.3137374834	 1.4199148745	 0.435841122	 0.042608
+O	-0.9056989834	 2.1393459244	 0.1694284229	-0.319973
+C	-1.2186267343	 2.2152651773	 1.5906059092	 0.132142
+C	-1.1670632931	 3.6435366969	 2.1220210676	-0.218379
+C	 0.3394441062	 3.9591067099	 2.2093955322	-0.211748
+C	 0.9692684543	 2.6233439003	 2.6594990012	-0.23264
+C	 0.1346389755	 1.5395888425	 1.9621831087	-0.072956
+H	-0.3775094299	-0.0526926135	-1.0588633016	 0.090597
+H	 1.1955763889	 1.9299167763	 0.0154646403	 0.10133
+H	-2.1502030573	 1.6847945902	 1.8113330459	 0.07782
+H	-1.7262522826	 4.3339791074	 1.4846377389	 0.111944
+H	-1.6223806197	 3.6650705044	 3.1204262139	 0.100062
+H	 0.7140488949	 4.2425605061	 1.2199055487	 0.11342
+H	 0.56572663	 4.7839457009	 2.8895915725	 0.098657
+H	 2.0357526868	 2.5486622928	 2.4256224798	 0.105012
+H	 0.8684604171	 2.5090441153	 3.7451565471	 0.104014
+H	 0.1200434483	 0.5830970399	 2.4838416874	 0.094761
+19
+0 847	4.0172811	0.9372739	0.8139967	0.26	76.55	-0.24573	-0.02989	0.21584	1377.0478	0.157012	-422.606438	-422.597684	-422.59674	-422.640782	31.802
+O	 1.3925158356	-0.2247466665	-0.1765184833	-0.245372
+C	 0.2248795782	 0.0342518115	-0.0467331813	 0.147855
+C	-0.3800787031	 1.419732387	-0.1471571454	-0.057341
+C	-1.0575088357	 1.7928287663	 1.1872502309	-0.227379
+C	-1.7421056702	 3.1718758821	 1.1150506753	-0.305629
+C	-2.6902626308	 3.2771295968	-0.0719827495	 0.396206
+O	-3.8230104944	 3.6840507984	 0.0322759136	-0.301774
+C	-2.0947413749	 2.8351692568	-1.4020803478	-0.305635
+C	-1.4057299289	 1.4603426481	-1.2983488227	-0.227356
+H	-0.5214054933	-0.7692143928	 0.1659520375	 0.072467
+H	 0.4410780672	 2.11567106	-0.3553325665	 0.094047
+H	-1.8067904681	 1.0294564826	 1.4365186953	 0.113586
+H	-0.3228809856	 1.7876926031	 1.9991733166	 0.119278
+H	-2.2981638855	 3.3945561562	 2.028655789	 0.124755
+H	-0.9719099236	 3.9468555062	 0.9946500112	 0.122325
+H	-2.8845335446	 2.8346803132	-2.1568590002	 0.124756
+H	-1.3491621621	 3.5866384111	-1.6982159763	 0.122327
+H	-2.1664016975	 0.6860880556	-1.1304132018	 0.113585
+H	-0.9179346228	 1.2194920044	-2.2485929845	 0.119298
+19
+0 848	4.1085892	0.8057264	0.7115738	2.1968	78.16	-0.25193	-0.03578	0.21614999999999998	1535.1565	0.156027	-422.592337	-422.583057	-422.582113	-422.62931	32.087
+O	-4.3996094143	 3.5280697303	-1.6345734929	-0.245031
+C	-3.8825508901	 2.6159744389	-1.0454797536	 0.149472
+C	-2.5049098223	 2.6370121175	-0.4263529817	-0.054031
+C	-2.5364827965	 2.2969668684	 1.0872313396	-0.239759
+C	-1.2393452298	 1.4901453081	 1.3807026049	-0.238575
+C	-0.4712101041	 1.400052806	 0.0367211841	-0.05439
+C	-1.5798733074	 1.556087507	-1.0259482043	-0.256835
+C	 0.2785426745	 0.096698849	-0.1067265753	 0.149512
+O	 1.4598871883	-0.0136245097	-0.3032366786	-0.245046
+H	-4.41422271	 1.6415109549	-0.9108985185	 0.068717
+H	-2.0759613741	 3.6288176788	-0.5950797649	 0.099318
+H	-2.6091131746	 3.2045793953	 1.6903179472	 0.122676
+H	-3.4208058912	 1.6931692413	 1.3209812504	 0.109803
+H	-0.6244165316	 1.9533867426	 2.1553274149	 0.122401
+H	-1.4904334019	 0.4847700464	 1.737963665	 0.109549
+H	 0.2513933408	 2.2158788615	-0.056212096	 0.099263
+H	-1.1932981773	 1.8235291925	-2.0121656151	 0.12843
+H	-2.1309224085	 0.6099285448	-1.1303289899	 0.105805
+H	-0.3767900802	-0.8044630336	-0.0131533855	 0.068721
+19
+0 849	2.3959842	1.4529205	1.0903194	3.7585	75.91	-0.24026	-0.01841	0.22185	1160.5428	0.156125	-422.535714	-422.52704	-422.526096	-422.569904	31.445
+O	 0.9189718329	-0.7142829535	-0.2612979261	-0.260188
+C	 0.0537599195	 0.0242790109	 0.1335738949	 0.185236
+C	-1.1393798145	 0.4513164608	-0.6813684359	-0.181381
+C	-1.4683394843	 1.9732001462	-0.5358410168	-0.24497
+C	-2.5734517363	 1.6257104299	 0.495873085	-0.297144
+C	-2.4958696729	 0.1538743868	 0.0470009242	 0.461471
+C	-3.6378344186	-0.5288573934	-0.7347658359	-0.352984
+C	-3.5225796607	-1.6266174573	 0.3408198914	-0.074606
+O	-2.515939419	-0.8715275621	 1.0514502718	-0.307893
+H	 0.0950950404	 0.4565179012	 1.1596812548	 0.075006
+H	-1.0360693777	 0.0485078692	-1.6910830314	 0.085906
+H	-0.6534756878	 2.6116463612	-0.1869269399	 0.113152
+H	-1.8603388498	 2.3899585161	-1.4653730133	 0.116629
+H	-2.2245509532	 1.7238571032	 1.5279797023	 0.122381
+H	-3.5414565149	 2.1252526175	 0.4045167627	 0.102875
+H	-4.5787485251	 0.0251576927	-0.7288359846	 0.11517
+H	-3.4011936628	-0.8303051706	-1.7564540007	 0.11865
+H	-4.410971249	-1.7992452636	 0.9577222473	 0.109398
+H	-3.1358147262	-2.5903355652	-0.0094248799	 0.113291
+19
+0 850	2.6064454	1.4550666	1.1449015	3.256	75.17	-0.24277	-0.02964	0.21313000000000001	1114.643	0.156208	-422.527517	-422.518895	-422.517951	-422.56145	31.123
+O	-0.5784592085	-0.9520601974	 0.4693442385	-0.249623
+C	-0.0595485808	-0.0600243877	-0.1565050833	 0.147555
+C	 0.3394380861	 1.2759053034	 0.4099839403	-0.190885
+C	-0.8451259048	 2.2984702661	 0.2376289054	-0.232524
+C	-1.2153663558	 2.0427353993	 1.7220632843	-0.285379
+C	 0.1839627335	 1.4215489998	 1.9434159662	 0.322314
+C	 1.2340544027	 2.2233643065	 2.7430391668	-0.131372
+O	 1.3408077925	 1.1856032339	 3.7317354103	-0.275995
+C	 0.4677176987	 0.316085287	 2.9735505984	-0.139137
+H	 0.1177889512	-0.16328657	-1.2520020167	 0.084092
+H	 1.2942574895	 1.5846238256	-0.0296974195	 0.086095
+H	-0.4711517944	 3.3084617086	 0.05690236	 0.11614
+H	-1.5980181746	 2.0635984912	-0.5186254285	 0.111967
+H	-1.4759757204	 2.9116461808	 2.3314738593	 0.10563
+H	-2.0025797822	 1.2904856948	 1.8197199577	 0.123948
+H	 2.1863850366	 2.3928460102	 2.2190266645	 0.092552
+H	 0.8911980722	 3.1742617299	 3.172139057	 0.099882
+H	 0.9978787875	-0.5610896563	 2.587540382	 0.108323
+H	-0.3955157389	-0.0195699457	 3.5598831674	 0.106419
+19
+0 851	2.6225486	1.3028958	1.0411513	1.4536	76.15	-0.24709	-0.03193	0.21516000000000002	1159.1727	0.155662	-422.533882	-422.525077	-422.524133	-422.568667	31.626
+O	 0.8218465057	-0.6343285911	-0.9428947774	-0.257591
+C	 0.0684414905	-0.0355078948	-0.2188418007	 0.167414
+C	 0.279168747	 1.3702004575	 0.2701727689	-0.23158
+C	-0.99936145	 2.2357755162	 0.333043279	-0.099941
+O	-0.991810157	 2.2484530232	 1.7699476795	-0.311998
+C	 0.2600006733	 1.5269241919	 1.8191759573	 0.4312
+C	 0.2930517861	 0.3756837199	 2.8541091549	-0.277462
+C	 1.0923160184	 1.3036611428	 3.8111557865	-0.220199
+C	 1.383559649	 2.2424730218	 2.6062546789	-0.27007
+H	-0.8690980879	-0.5108334688	 0.1550072869	 0.079918
+H	 1.1453517525	 1.809395376	-0.2264274754	 0.097045
+H	-0.8897935559	 3.2384057826	-0.0961579594	 0.113435
+H	-1.9101259616	 1.773124587	-0.0679887772	 0.108113
+H	-0.6852090254	 0.0196983759	 3.1839038651	 0.114363
+H	 0.8861660152	-0.4747240912	 2.5038519399	 0.113869
+H	 0.4510033415	 1.7766621004	 4.5578193417	 0.117771
+H	 1.9554309865	 0.8668306454	 4.3166864877	 0.104118
+H	 1.2425355185	 3.3165783088	 2.7449834646	 0.112563
+H	 2.3671121636	 2.0608732665	 2.1625542393	 0.109034
+19
+0 852	2.3598435	1.4815695	1.0848931	2.3914	75.21	-0.24418	-0.03365	0.21053	1156.3908	0.155756	-422.528792	-422.520065	-422.51912	-422.563112	31.452
+O	 1.0299114018	-0.652947771	-0.024396219	-0.245536
+C	 0.0774337995	 0.071844393	 0.1158447592	 0.124441
+C	 0.0789013809	 1.5352791841	-0.2695641318	-0.028986
+O	-1.2034065691	 2.1526925997	-0.0736805075	-0.29299
+C	-1.3146897953	 2.4792004753	-1.4767194673	-0.123662
+C	 0.0596136456	 1.8473582063	-1.7910950321	 0.289066
+C	 0.1980573311	 0.7927294123	-2.9163488839	-0.293477
+C	 0.9102839551	 1.8648074637	-3.7853977279	-0.215304
+C	 1.1504956464	 2.6910348148	-2.4921756951	-0.284384
+H	-0.8957394414	-0.2860272533	 0.5221545244	 0.09287
+H	 0.8828761208	 2.0477696828	 0.2781319207	 0.104885
+H	-2.1808023685	 1.9884307572	-1.9393173662	 0.10544
+H	-1.3852637626	 3.5623185897	-1.6374842513	 0.105675
+H	 0.8756729954	-0.0127565868	-2.6212738799	 0.132212
+H	-0.7265852551	 0.3505480766	-3.2979533537	 0.100752
+H	 1.78980117	 1.5494933462	-4.3496782614	 0.10621
+H	 0.2198953001	 2.3660168796	-4.4691634832	 0.106329
+H	 2.137900245	 2.4963844056	-2.0628440574	 0.11417
+H	 0.9928999606	 3.7725613843	-2.5312860268	 0.102291
+19
+0 853	2.6900099	1.116152	0.8609957	3.3697	77.05	-0.24745	-0.02045	0.227	1346.4498	0.155722	-422.529146	-422.520149	-422.519205	-422.564282	31.806
+O	 0.0640349039	-0.6731466403	 0.513664457	-0.247843
+C	 0.7934541826	 0.1112854836	-0.04120756	 0.131888
+C	 0.4181208792	 1.5258345895	-0.3830284245	-0.079333
+C	-0.9898091419	 2.0393382844	-0.0044386055	-0.242508
+C	-1.118663015	 2.6598852392	-1.420903303	-0.250118
+C	 0.0686729024	 1.7757474335	-1.9003185479	-0.002773
+C	 1.1267782135	 2.3888506061	-2.7671337778	 0.071587
+C	 1.2525544129	 2.0836531583	-4.1988081626	-0.183435
+O	 2.1460511738	 1.504671626	-3.2470085786	-0.238174
+H	 1.8093961379	-0.1920105111	-0.3809188511	 0.089747
+H	 1.2262361966	 2.1991831094	-0.0733344453	 0.089312
+H	-1.669009537	 1.1992412285	 0.1560152256	 0.12959
+H	-1.059971961	 2.7164813727	 0.8484510682	 0.105651
+H	-2.0672507756	 2.5382588633	-1.9478925639	 0.108732
+H	-0.8516245468	 3.7214970743	-1.4289115591	 0.104466
+H	-0.2874046381	 0.8488256704	-2.3606296152	 0.088404
+H	 1.5092889866	 3.3518347679	-2.4199457277	 0.090012
+H	 0.5507451451	 1.3914492652	-4.6624846623	 0.116558
+H	 1.695374591	 2.816067589	-4.8722701964	 0.118238
+19
+0 854	2.4761959	1.2270733	0.9258093	2.5009	76.63	-0.25073	-0.03085	0.21988000000000002	1297.018	0.155862	-422.526859	-422.517847	-422.516902	-422.562079	31.788
+O	 1.0335922051	-0.5593124382	 0.3696786908	-0.240943
+C	 0.1416074317	-0.1772161169	-0.3453352087	 0.142827
+C	 0.0331148835	 1.2100138444	-0.9161523538	-0.17282
+C	-0.9984106626	 2.1547437259	-0.2346011395	-0.085368
+O	 0.0191033614	 3.1293645204	 0.0328855442	-0.29133
+C	 1.0736579476	 2.2604622591	-0.4730574262	 0.136844
+C	 1.9243622592	 2.9073194528	-1.5186018824	-0.001591
+C	 3.1604967071	 3.6695235976	-1.1095556413	-0.267839
+C	 3.2975520986	 2.3364016985	-1.7940937499	-0.273381
+H	-0.6987420075	-0.8561570105	-0.6194475366	 0.080367
+H	-0.1107103438	 1.1431678892	-1.9993472013	 0.101044
+H	-1.7932093018	 2.5438461543	-0.8808104309	 0.111069
+H	-1.4475269547	 1.7575299043	 0.6856218402	 0.10764
+H	 1.697687835	 1.889407756	 0.3500850158	 0.093134
+H	 1.372433996	 3.2950139172	-2.370748549	 0.081659
+H	 3.4105605218	 4.5649785333	-1.6668398207	 0.115906
+H	 3.3904141306	 3.7246743712	-0.0508537906	 0.121365
+H	 3.6408497051	 2.3132550388	-2.8219937041	 0.11446
+H	 3.6176534477	 1.4879416825	-1.1982792261	 0.126958
+19
+0 855	2.335472	1.2786223	0.9061793	2.0815	75.85	-0.24423	-0.03105	0.21318	1298.8199	0.155532	-422.524868	-422.515786	-422.514842	-422.560294	31.963
+O	 1.1229438097	-0.6856005785	 0.6724836792	-0.24323
+C	 0.3254277871	-0.0128026437	 0.070299312	 0.1211
+C	 0.1058070408	 1.460884299	 0.3316643084	 0.048349
+O	-1.2373313894	 1.8711381073	 0.0133496267	-0.297959
+C	-1.4224371766	 2.4235856647	 1.3392388146	-0.093639
+C	-0.0414854391	 1.9037124967	 1.8090574658	-0.051984
+C	 0.9602549321	 2.8781740553	 2.3574093955	 0.000952
+C	 1.2118029077	 2.9533760042	 3.844630347	-0.277466
+C	 2.2528260834	 2.3532304469	 2.9353305853	-0.268204
+H	-0.3275718456	-0.4327728471	-0.7275285011	 0.093703
+H	 0.8586566359	 2.0322091393	-0.2354337029	 0.101882
+H	-1.5078438423	 3.5171802679	 1.31095954	 0.104415
+H	-2.3056270505	 2.0052748772	 1.8340377249	 0.110321
+H	-0.1167856194	 1.0366055128	 2.4708344092	 0.091533
+H	 1.0231845656	 3.8158173988	 1.8096985075	 0.083215
+H	 1.4088164518	 3.9257399011	 4.2819607446	 0.114946
+H	 0.6496338602	 2.2841583194	 4.4877487451	 0.114651
+H	 3.1615162795	 2.9154307691	 2.7523984449	 0.114527
+H	 2.3875311288	 1.2768144496	 2.9462837532	 0.132888
+19
+0 856	2.687766	1.3795925	1.1116166	2.1545	75.09	-0.23984	-0.02638	0.21345999999999998	1143.0332	0.156445	-422.553523	-422.544952	-422.544008	-422.587599	31.46
+O	-0.1012502412	 1.1775562272	-1.1863850379	-0.244072
+C	-0.5981820278	 0.4056436244	-0.4080753393	 0.143769
+C	-0.4486683317	 0.4905253666	 1.1101528718	 0.030306
+C	-0.4315597658	 1.9355313236	 1.6288290683	-0.331473
+C	-1.9068307609	 2.1515801683	 1.9250242579	 0.347819
+C	-2.4847184972	 3.437168679	 2.4310505073	-0.342651
+C	-2.7704717934	 2.989180236	 1.0140943996	-0.30425
+C	-2.3722004685	 0.7912683975	 2.4077768013	-0.130646
+O	-1.5669369619	-0.1661022674	 1.7100547948	-0.280982
+H	-1.2196002834	-0.456204502	-0.7381943998	 0.091542
+H	 0.4667206182	-0.0596564952	 1.3742501848	 0.103203
+H	 0.1705300677	 2.0098379213	 2.5406721814	 0.105872
+H	-0.0224843339	 2.6161069145	 0.87954695	 0.132206
+H	-3.2930373117	 3.3863441731	 3.1539087735	 0.115481
+H	-1.813390996	 4.2768598325	 2.5776350298	 0.118266
+H	-3.770318836	 2.633977405	 0.7859041986	 0.115073
+H	-2.2882542457	 3.5220194702	 0.2015781359	 0.126315
+H	-2.2146335031	 0.6755427286	 3.4910580238	 0.096425
+H	-3.4268696877	 0.5899684466	 2.1908947682	 0.107797
+19
+0 857	3.9629309	1.0712218	0.9865519	2.1817	75.87	-0.23358	-0.02793	0.20565	1244.5288	0.156069	-422.555021	-422.546467	-422.545523	-422.589104	31.733
+O	 0.6328320535	 0.781727566	-0.9502124185	-0.240514
+C	-0.0647290737	 0.1472982677	-0.2025352493	 0.138027
+C	-0.4648313873	 0.6017054023	 1.1989461656	 0.023184
+C	-0.6912646044	 2.1193999048	 1.3109757142	-0.253328
+C	-2.2172909223	 2.2274088068	 1.1443944084	-0.300762
+C	-2.6819457899	 0.9418172029	 1.7961862125	 0.471591
+C	-3.3572035386	 0.8963460996	 3.1412069974	-0.326038
+C	-4.091845221	 0.4677611913	 1.877460967	-0.336614
+O	-1.69733338	-0.0431959505	 1.5284074735	-0.314817
+H	-0.4830417461	-0.8459514302	-0.4776569652	 0.093438
+H	 0.3217525173	 0.2535043643	 1.8855986961	 0.105255
+H	-0.3844314062	 2.4769553267	 2.2971906382	 0.110444
+H	-0.1186940688	 2.6536419447	 0.5509720078	 0.132336
+H	-2.641272233	 3.118379662	 1.6115514576	 0.109336
+H	-2.4874920513	 2.2365873368	 0.0817418039	 0.114559
+H	-3.0478036289	 0.1098574897	 3.8202002614	 0.121105
+H	-3.6434528852	 1.8289143352	 3.6167005114	 0.110727
+H	-4.2614015156	-0.5941023963	 1.739014671	 0.125889
+H	-4.8764800586	 1.1075303862	 1.4871953372	 0.116182
+19
+0 858	4.0066428	0.9445651	0.8430114	3.3196	76.71	-0.25111	-0.02392	0.22719	1367.08	0.156484	-422.56133	-422.55275	-422.551806	-422.595729	31.48
+O	 1.4072699193	-0.3514545595	 0.0234809482	-0.247908
+C	 0.2383611593	-0.0803605557	 0.110550622	 0.152201
+C	-0.3905897064	 0.7721888373	 1.1837264054	-0.068365
+C	-1.1006882693	 2.0201918271	 0.5993463581	-0.235961
+C	-2.0869826728	 2.4575604741	 1.7023825011	-0.300684
+C	-2.3746419182	 1.1868447521	 2.5100038955	 0.446529
+C	-3.5960132877	 0.9576703399	 3.2875098154	-0.255251
+O	-2.3731916506	 1.3204171579	 3.9356059838	-0.270896
+C	-1.5405921398	 0.0512640422	 1.9205029238	-0.308839
+H	-0.4970877425	-0.459490602	-0.6421207921	 0.06484
+H	 0.3915607243	 1.0705018098	 1.8883292776	 0.102647
+H	-0.3962076907	 2.8054947258	 0.3163922289	 0.118464
+H	-1.6477350761	 1.7310077311	-0.3071597481	 0.105248
+H	-1.6266821366	 3.1883386422	 2.3745243027	 0.128646
+H	-2.9931415324	 2.9130938098	 1.2942840414	 0.110002
+H	-4.3777900822	 1.7168140502	 3.303454373	 0.112841
+H	-3.9400926319	-0.0601697043	 3.4724147036	 0.111938
+H	-1.2031005471	-0.640276381	 2.6951050954	 0.128124
+H	-2.1406418686	-0.5160331372	 1.1957254841	 0.106424
+19
+0 859	4.3331847	0.9634945	0.8869892	2.1688	77.29	-0.24449	-0.02381	0.22068000000000002	1273.7415	0.156472	-422.553531	-422.544938	-422.543994	-422.588076	31.563
+O	 1.4838902064	-0.1269803189	-0.1197825535	-0.251683
+C	 0.3060739459	 0.1056028799	-0.196297968	 0.153438
+C	-0.362395278	 0.8852786062	-1.3031723283	-0.08479
+C	-1.1568756111	 2.1086054519	-0.7415520651	-0.12239
+O	-2.5335842656	 1.8651907382	-0.9918627253	-0.275109
+C	-2.601163324	 1.0541307959	-2.1376720282	 0.459147
+C	-3.9512943594	 0.7761700827	-2.6948580768	-0.341284
+C	-2.9914741482	 1.6861195336	-3.450614234	-0.329439
+C	-1.4690918071	 0.0523562978	-2.0060267956	-0.324889
+H	-0.4060961095	-0.2523947432	 0.5865752897	 0.077647
+H	 0.4086799357	 1.2080999575	-2.004741716	 0.098856
+H	-1.0368258222	 2.2451434463	 0.338334607	 0.115802
+H	-0.8201237036	 3.0255739134	-1.2433604855	 0.10889
+H	-4.1513002475	-0.2129780726	-3.0928013474	 0.117995
+H	-4.7930226837	 1.2442633599	-2.197278355	 0.129793
+H	-2.5429864863	 1.3168051259	-4.3671105597	 0.112647
+H	-3.2104439399	 2.7479103211	-3.4409982726	 0.122913
+H	-1.7846957624	-0.7812732496	-1.3664079509	 0.112606
+H	-1.1346788195	-0.3603893561	-2.9592563648	 0.119853
+19
+0 860	3.3320855	1.250997	1.0936805	3.1653	74.94	-0.24161	-0.02121	0.22039999999999998	1143.7893	0.15841	-422.559539	-422.55167	-422.550726	-422.592552	29.731
+O	 1.4217771879	-0.2405211747	-0.229950424	-0.252134
+C	 0.2329483754	-0.0492745524	-0.2237434574	 0.137346
+C	-0.5303474799	 0.7282342702	-1.2731011699	-0.069765
+C	-1.1988998044	 1.9709583607	-0.6144132044	-0.214759
+C	-2.5312656636	 2.3870123402	-1.2881602496	-0.235127
+C	-3.1876408575	 1.151359495	-1.9138559755	 0.104009
+C	-2.3254554471	 0.5881393781	-3.0603634628	-0.249128
+C	-1.6433333626	-0.1500664333	-1.8954404612	 0.069732
+O	-2.8563258552	-0.0204204688	-1.1031952545	-0.296515
+H	-0.412446099	-0.4527986423	 0.5917990817	 0.086811
+H	 0.1834172929	 1.0135188034	-2.0525894826	 0.091638
+H	-1.4210799758	 1.7140346315	 0.4261102626	 0.119318
+H	-0.4922048055	 2.8038837921	-0.5841144188	 0.112055
+H	-3.1900424477	 2.8369998645	-0.5389382156	 0.108433
+H	-2.3727115989	 3.14232497	-2.066610864	 0.104844
+H	-4.2649364749	 1.2535534744	-2.063663334	 0.081665
+H	-2.8825373267	-0.0922482056	-3.7062010434	 0.112875
+H	-1.7316156429	 1.284142263	-3.6569499036	 0.100874
+H	-1.3471630547	-1.1944025759	-2.0273624032	 0.087826
+19
+0 861	3.3341727	1.2533914	1.1021469	2.4357	75.25	-0.24568	-0.02805	0.21763000000000002	1134.5317	0.158433	-422.550349	-422.542616	-422.541671	-422.582994	29.691
+O	 1.3989046615	-0.0715341841	-0.8607597003	-0.244253
+C	 0.5061599013	 0.1441037452	-0.0828176894	 0.139709
+C	 0.3598497158	 1.4015883768	 0.746453461	-0.088474
+C	-0.958784865	 2.1267307261	 0.3603760993	-0.094695
+O	-1.5235686869	 2.8960460395	 1.4143227377	-0.275132
+C	-1.2896186714	 2.3623821141	 2.7116395747	 0.138153
+C	 0.2260185934	 2.4091765475	 3.0353422551	-0.23879
+C	 0.3098594552	 1.064904371	 2.2573339452	-0.043505
+C	-1.1651809706	 0.8138493039	 2.6999140996	-0.263734
+H	-0.3001027602	-0.6096020889	 0.085617516	 0.074852
+H	 1.2312636776	 2.0309009186	 0.5417322785	 0.098314
+H	-0.7920262225	 2.8119662238	-0.4744456076	 0.124737
+H	-1.6924891481	 1.3779177548	 0.0225457965	 0.09716
+H	-2.0044520439	 2.8483327488	 3.3774935046	 0.080289
+H	 0.785231779	 3.2660610153	 2.6520365377	 0.102523
+H	 0.4246183532	 2.2750377028	 4.1018648871	 0.101956
+H	 1.0782060763	 0.3417446904	 2.539964669	 0.077294
+H	-1.8365020268	 0.2380595356	 2.0590451371	 0.10422
+H	-1.2107385177	 0.4148480386	 3.7156620785	 0.109379
+19
+0 862	3.1613748	1.38652	1.1679909	2.7776	74.91	-0.24851	-0.02778	0.22073	1090.7918	0.158075	-422.554419	-422.546659	-422.545715	-422.587065	29.6
+O	 1.3729385164	-0.577170284	-0.0496570416	-0.2487
+C	 0.4060113551	 0.1152666168	 0.1319371754	 0.140451
+C	 0.1088417391	 1.3811928572	-0.6637441359	 0.032665
+O	-1.2255528234	 1.7424946678	-0.3413329619	-0.280241
+C	-1.9048577536	 2.5373406436	-1.3127834426	-0.070715
+C	-1.4487873259	 2.2088363037	-2.7381068432	-0.029768
+C	-1.0374558054	 0.7091086953	-2.7924784007	-0.229609
+C	 0.308518179	 1.1893761902	-2.1748774	-0.026701
+C	 0.0594632804	 2.55013511	-2.8760073704	-0.241562
+H	-0.353880997	-0.1099946443	 0.9119189677	 0.094436
+H	 0.818152151	 2.1513228622	-0.3059690577	 0.095371
+H	-2.9690366485	 2.315705279	-1.17691245	 0.110273
+H	-1.7525516006	 3.6086258007	-1.1046978798	 0.093827
+H	-2.1518967988	 2.6062898808	-3.473739847	 0.068576
+H	-1.6391365025	-0.0107383761	-2.2325355179	 0.104807
+H	-0.9034934487	 0.3616495478	-3.818981001	 0.103037
+H	 1.2291030763	 0.6362139931	-2.3637090569	 0.091468
+H	 0.4281144504	 3.4568963155	-2.3843387112	 0.091157
+H	 0.3915388168	 2.5408449607	-3.9172022954	 0.101228
+19
+0 863	3.4865488	1.196606	0.9905292	2.8612	75.15	-0.2538	-0.02789	0.22591000000000003	1204.7697	0.157553	-422.554874	-422.546708	-422.545763	-422.588124	30.67
+O	 0.68183198	 0.1960908106	 0.7458297547	-0.244607
+C	 0.0429410608	-0.2271571834	-0.1813795196	 0.135418
+C	-0.5520100755	 0.6454914296	-1.274814403	 0.036942
+C	-0.9344714306	 2.0514162146	-0.7945512834	-0.232552
+C	-1.8858713752	 2.7372520951	-1.7731822632	-0.04187
+C	-3.3519610656	 2.3679202178	-1.7711175924	-0.279904
+C	-2.4793352491	 1.9402701708	-2.9184223269	-0.031284
+C	-2.0829286177	 0.4837770748	-3.0477123408	-0.102709
+O	-1.6547350357	-0.0650757598	-1.8095178195	-0.264787
+H	-0.157068389	-1.3119562541	-0.3238256324	 0.093571
+H	 0.2302655272	 0.7298465523	-2.0555431945	 0.090581
+H	-1.3868388623	 1.9821732987	 0.2005115425	 0.116453
+H	-0.0187470265	 2.6363800121	-0.6745395779	 0.117346
+H	-1.6601798703	 3.7785800944	-1.97790125	 0.088305
+H	-3.6622605943	 1.5981497646	-1.0714408492	 0.120617
+H	-4.0838726379	 3.1498020552	-1.9402150639	 0.109653
+H	-2.6109802956	 2.4501250509	-3.8683174001	 0.086316
+H	-2.9267927986	-0.1327744985	-3.3744036735	 0.112451
+H	-1.2764359139	 0.3793139143	-3.7939140868	 0.090063
+19
+0 864	3.6363837	1.1656818	0.9706029	2.7817	75.34	-0.25195	-0.02741	0.22454000000000002	1219.8893	0.157168	-422.553119	-422.544868	-422.543923	-422.586496	30.927
+O	 0.9469722261	 0.2821961846	-0.5864078081	-0.252111
+C	 0.1907995373	-0.1471918275	 0.2451592976	 0.136725
+C	-0.4787632481	 0.7177021153	 1.3014105176	 0.04721
+C	-1.0962049971	 1.9912817662	 0.7195463645	-0.216769
+C	-1.6665356956	 2.8487706546	 1.8587565639	-0.244562
+C	-2.4158180126	 2.0205323713	 2.8912616512	-0.039744
+C	-3.5556425952	 1.0929167787	 2.5259135028	-0.306217
+C	-2.217247799	 0.525089241	 2.9220020642	 0.098198
+O	-1.4567021405	-0.1001452617	 1.9210268493	-0.274914
+H	-0.0765990773	-1.2242500466	 0.3127386846	 0.096232
+H	 0.3059055437	 1.0005476136	 2.0281797466	 0.093912
+H	-0.3340593321	 2.5370524065	 0.1572657101	 0.124372
+H	-1.8791200421	 1.7015139596	 0.0090867669	 0.109042
+H	-0.8309551752	 3.3478884849	 2.366144029	 0.105254
+H	-2.3075259182	 3.6424959073	 1.4584717388	 0.106003
+H	-2.5031855533	 2.4966071884	 3.8636554249	 0.091352
+H	-4.3887523845	 1.0060510424	 3.2147647316	 0.112447
+H	-3.8214751997	 0.9902693906	 1.4793063486	 0.11954
+H	-2.1211999766	 0.0214189909	 3.8806390958	 0.09403
+19
+0 865	3.6141899	1.091505	0.9326126	2.0909	75.54	-0.24909	-0.02329	0.2258	1253.8661	0.157784	-422.567471	-422.559278	-422.558333	-422.600886	30.577
+O	 1.0173096049	-0.4472221292	-0.7819371017	-0.248033
+C	 0.2387938827	-0.0301157796	 0.035475095	 0.147548
+C	 0.3055074916	 1.3302751124	 0.6956148112	-0.059985
+C	-0.9221934315	 2.1723275219	 0.2865201619	-0.225682
+C	-0.8252447191	 3.5916669886	 0.8625949047	-0.250111
+C	-0.5839159317	 3.5836341305	 2.35410439	 0.070407
+O	-1.391841018	 2.6827344292	 3.1171774176	-0.255283
+C	 0.0121938986	 2.4079901829	 3.0098047054	 0.035869
+C	 0.3918551151	 1.1616479089	 2.2303752464	-0.250976
+H	-0.6294582587	-0.6488281843	 0.369883178	 0.072253
+H	 1.2117780536	 1.8224257209	 0.3254113609	 0.09135
+H	-0.9911370918	 2.2224515625	-0.8048244893	 0.110745
+H	-1.837422315	 1.6929884716	 0.6509311099	 0.121127
+H	-0.0030606848	 4.1386882785	 0.382529124	 0.10864
+H	-1.7433199149	 4.1501318663	 0.6446596996	 0.11267
+H	-0.4460140861	 4.5613696554	 2.8178907587	 0.089667
+H	 0.5544126558	 2.5576233789	 3.9436840695	 0.095131
+H	 1.4077619969	 0.8590082709	 2.5053059556	 0.115586
+H	-0.2739253876	 0.3511501036	 2.5566870226	 0.119078
+19
+0 866	3.6039091	1.1002685	0.9468318	2.8765	76.07	-0.24494	-0.02918	0.21575999999999998	1249.918	0.15757	-422.550028	-422.541779	-422.540835	-422.583552	30.8
+O	 1.1052757462	-0.3427668857	-0.8578797171	-0.244625
+C	 0.3083685255	 0.0141273856	-0.0295604168	 0.150756
+C	 0.3099795843	 1.3600861018	 0.6607036464	-0.093794
+C	-0.9592123421	 2.1538546063	 0.2904614138	-0.085705
+O	-0.9132547652	 3.4580368213	 0.8368238909	-0.251971
+C	-0.8200209464	 3.5068680054	 2.2341040166	 0.101904
+C	 0.5455834385	 3.7520725199	 2.8188466857	-0.306839
+C	-0.1095405763	 2.3952313477	 2.9640759092	-0.056726
+C	 0.3547933311	 1.1697317402	 2.1942357503	-0.248485
+H	-0.5233449869	-0.6593523218	 0.2908244933	 0.071072
+H	 1.1805196225	 1.9159328608	 0.3000345832	 0.103493
+H	-1.0328870135	 2.2889357027	-0.7919686091	 0.123144
+H	-1.8557770542	 1.6107324389	 0.6323603465	 0.09232
+H	-1.6873528723	 3.9744861568	 2.6945738428	 0.093728
+H	 1.3518395395	 3.8589399598	 2.1011483306	 0.123057
+H	 0.6376919295	 4.3731686828	 3.7029777305	 0.113375
+H	-0.4899129243	 2.1697941464	 3.9560505125	 0.093579
+H	 1.3612587995	 0.8691560589	 2.5060727837	 0.118048
+H	-0.3126855254	 0.3356371221	 2.4526417871	 0.103668
+19
+0 867	2.9298877	1.3908035	1.2507443	2.2279	74.05	-0.24218	-0.02577	0.21641	1074.0568	0.157988	-422.565142	-422.557145	-422.556201	-422.598298	29.717
+O	-0.7963487123	-1.0349673998	-0.4676519952	-0.248694
+C	-0.2067545298	-0.0372960362	-0.1338062985	 0.145534
+C	-0.4356615462	 0.7180654096	 1.1558432216	-0.113688
+C	-1.1079799494	 2.0890868268	 0.8583696634	-0.24303
+C	-2.6133919909	 1.7545602107	 0.7874532581	-0.227138
+C	-2.8257299216	 0.6525195985	 1.8358505091	-0.05709
+C	-2.7204933129	 1.0854715851	 3.3123370895	-0.084537
+O	-1.3797526375	 0.5591134406	 3.425399869	-0.307979
+C	-1.4293847203	 0.0181131327	 2.0837779064	 0.139013
+H	 0.5608607742	 0.4204858239	-0.8011560737	 0.080527
+H	 0.5378610493	 0.8593649029	 1.6414813648	 0.102446
+H	-0.8990123513	 2.7674055465	 1.6902923427	 0.122943
+H	-0.7310724829	 2.5643095714	-0.0525013437	 0.103017
+H	-3.2443610585	 2.6319715216	 0.9605452506	 0.101832
+H	-2.8643492768	 1.3643220358	-0.205066415	 0.114444
+H	-3.6518817596	-0.0176974974	 1.6001420448	 0.083914
+H	-2.7582552116	 2.1652734597	 3.5074615331	 0.097125
+H	-3.4123242664	 0.5775864079	 3.9959015514	 0.102018
+H	-1.3415331554	-1.0709198503	 2.0745621115	 0.089342
+19
+0 868	3.2847448	1.2191046	1.0432902	1.4017	74.93	-0.24852	-0.02441	0.22410999999999998	1169.9567	0.157915	-422.563357	-422.555276	-422.554332	-422.596789	29.879
+O	 0.8011615606	-0.6469467347	 0.4290513427	-0.25192
+C	-0.2438334778	-0.1439778488	 0.1048151952	 0.152968
+C	-0.4670275134	 0.6343219886	-1.1735300106	-0.087329
+C	-1.0382007046	 2.0513167957	-0.8734141723	-0.246333
+C	-2.5669810462	 1.864830173	-0.8115572415	-0.228827
+C	-2.8547151171	 0.7972756885	-1.8590580442	 0.140691
+O	-2.7508950945	 1.3039347953	-3.2120881435	-0.296081
+C	-1.6287262456	 0.4453029221	-3.501368483	-0.088272
+C	-1.5577068365	-0.0417894435	-2.0400160972	-0.088614
+H	-1.1421859814	-0.2313424295	 0.761839872	 0.071025
+H	 0.4950683881	 0.6757401337	-1.6920311491	 0.094225
+H	-0.6207136487	 2.4886416877	 0.0380966879	 0.110716
+H	-0.7779420403	 2.7186947842	-1.6998305277	 0.125359
+H	-2.8800551207	 1.4971642495	 0.1732719266	 0.103624
+H	-3.119198894	 2.7873261935	-1.0110116088	 0.117436
+H	-3.7983192683	 0.2621664336	-1.706956484	 0.074991
+H	-1.8889349232	-0.3333047931	-4.2295138039	 0.10471
+H	-0.76202588	 1.0060988184	-3.8728487733	 0.104862
+H	-1.6170170963	-1.1223142042	-1.9008157453	 0.08677
+19
+0 869	3.2750013	1.2399936	1.0529651	2.6511	75.33	-0.24533	-0.02158	0.22375	1169.0397	0.157631	-422.559634	-422.551482	-422.550538	-422.593236	30.075
+O	 0.9072963622	-0.6784404507	 0.368636133	-0.256338
+C	-0.1374064137	-0.1356431033	 0.1137442638	 0.147454
+C	-0.4173818244	 0.6431534542	-1.151803914	-0.096749
+C	-1.0641898418	 2.010030706	-0.8185244848	-0.126528
+O	-2.4554794595	 1.7614671931	-0.6898790936	-0.25281
+C	-2.8147143473	 0.7710736139	-1.6352435861	 0.121556
+C	-2.9212927022	 1.2314488855	-3.1189762866	-0.246807
+C	-1.6455010012	 0.4112053817	-3.4678109749	-0.246307
+C	-1.5268332075	-0.0424090823	-1.9813965253	-0.053063
+H	-0.9965042511	-0.1768084371	 0.8228591604	 0.085886
+H	 0.5182646411	 0.7427448737	-1.7077329101	 0.096626
+H	-0.7160680698	 2.4464074465	 0.1226306561	 0.121294
+H	-0.8536322631	 2.7291028789	-1.6244855755	 0.103304
+H	-3.6817780918	 0.2395773251	-1.2384765847	 0.084695
+H	-3.8312002325	 0.8992623808	-3.6236589388	 0.106981
+H	-2.8352976555	 2.3137127987	-3.243248863	 0.112003
+H	-1.8146591961	-0.4120698932	-4.1645927111	 0.1104
+H	-0.7983803764	 0.9967950933	-3.8348704828	 0.103913
+H	-1.5639075293	-1.1218386849	-1.8228287621	 0.08449
+19
+0 870	2.9834878	1.3653214	1.1375042	1.9995	74.49	-0.24308	-0.0312	0.21187999999999999	1119.9708	0.157526	-422.558627	-422.550532	-422.549587	-422.592076	29.972
+O	 0.3612037793	-0.8632241129	 0.2395007264	-0.237994
+C	-0.0572985427	 0.218030559	-0.0821164819	 0.125572
+C	 0.3127739431	 1.5373625845	 0.5988576755	-0.001694
+O	-0.7183409987	 2.4972361503	 0.3854962275	-0.261849
+C	-1.650289071	 2.3410515385	 1.4611033941	-0.110278
+C	-0.7998736274	 2.0509265324	 2.6940662419	-0.018063
+C	 0.0449901736	 3.2393584313	 3.2384094464	-0.223527
+C	 1.3490159397	 2.5208025273	 2.7922792716	-0.239098
+C	 0.5073560798	 1.4053681366	 2.113953623	-0.032406
+H	-0.7547587408	 0.3537806371	-0.9400663217	 0.090922
+H	 1.2101656795	 1.9110457843	 0.0857757319	 0.111314
+H	-2.234030794	 3.2637505366	 1.5230649785	 0.11401
+H	-2.3384254149	 1.5046625537	 1.2563345317	 0.09361
+H	-1.3350826669	 1.4764656684	 3.4513699293	 0.076181
+H	-0.1456437488	 4.1778849235	 2.7110759206	 0.107445
+H	-0.0468346494	 3.4220383198	 4.311091642	 0.101799
+H	 2.0064358792	 3.0883781718	 2.1277797794	 0.100206
+H	 1.9470169811	 2.148190541	 3.6271615022	 0.105183
+H	 0.7487437291	 0.377560047	 2.3846678416	 0.098666
+19
+0 871	3.1032674	1.2565235	0.9900325	2.5405	76.96	-0.24724	-0.02922	0.21802	1204.0872	0.15695	-422.56241	-422.553906	-422.552962	-422.595986	31.523
+O	 0.5810704911	 0.2360040328	-0.8242760492	-0.243283
+C	 0.0291070952	-0.2329242952	 0.1358477728	 0.147314
+C	-0.5343906477	 0.5867357005	 1.2953972041	 0.021973
+C	-1.0394966325	 1.9674002573	 0.8482002738	-0.241334
+C	-2.5132587271	 1.9656317462	 0.4084050082	-0.245525
+C	-3.4882806489	 1.8762905953	 1.5600935959	-0.050738
+C	-3.3229650391	 1.1888218748	 2.6891597248	-0.046956
+C	-2.1739947039	 0.2691095244	 3.0173910936	-0.133232
+O	-1.5090044158	-0.2519951931	 1.8799409028	-0.253142
+H	-0.1029829864	-1.327870518	 0.2713620163	 0.097008
+H	 0.3115779136	 0.725463167	 1.9972766162	 0.092727
+H	-0.9137053495	 2.6917989346	 1.6589842823	 0.102243
+H	-0.3927662593	 2.2863017894	 0.0239988042	 0.129331
+H	-2.7110966461	 2.8932237383	-0.1395098073	 0.104436
+H	-2.6924660442	 1.1545976387	-0.3105281207	 0.122087
+H	-4.4020784214	 2.4561266864	 1.4502829714	 0.089718
+H	-4.0881570433	 1.2471086339	 3.4608714159	 0.087424
+H	-1.4521950861	 0.758330401	 3.6950566006	 0.10111
+H	-2.5610028685	-0.6033211345	 3.5573556942	 0.11884
+19
+0 872	3.0318968	1.1204706	0.8737867	1.0517	76.6	-0.24255	-0.02994	0.21261	1302.0521	0.157024	-422.607247	-422.598599	-422.597655	-422.641158	31.684
+O	-0.1178971702	-0.4149242068	 0.7332215165	-0.238694
+C	 0.6079777541	-0.006920872	-0.1365344812	 0.140342
+C	 0.4743331328	 1.3428443415	-0.8133622669	-0.089308
+C	-0.6766544502	 2.186131361	-0.2580058892	-0.188765
+C	-0.7664535128	 3.5400973385	-0.9722640578	-0.229508
+C	-0.9071122303	 3.3745700247	-2.4995367734	-0.287399
+C	 0.1791440779	 2.4731623403	-3.0663978063	 0.383766
+O	 0.8689802627	 2.7814101267	-4.0087671747	-0.298788
+C	 0.3410189878	 1.1369024119	-2.3456148498	-0.313771
+H	 1.4498675361	-0.6293870096	-0.5198241686	 0.081474
+H	 1.4309109818	 1.8630207015	-0.6408320041	 0.104714
+H	-1.6147426509	 1.6303224549	-0.3787289271	 0.111456
+H	-0.54524302	 2.3261380082	 0.8189038912	 0.11486
+H	-1.6130331812	 4.1170384629	-0.5866341813	 0.108819
+H	 0.134724075	 4.1290131612	-0.7576725129	 0.109538
+H	-1.8763621133	 2.9046156549	-2.7200669564	 0.11893
+H	-0.8732587012	 4.3327436392	-3.0228513358	 0.121616
+H	-0.5557799598	 0.5329563079	-2.5440672292	 0.126847
+H	 1.2024558317	 0.614212323	-2.768803713	 0.123871
+19
+0 873	2.3164163	1.6463251	1.1059045	3.3899	75.15	-0.24779	-0.01832	0.22947	1120.5764	0.156728	-422.560843	-422.552333	-422.551389	-422.594786	31.405
+O	 1.4782231601	-0.4251540864	-0.3933788593	-0.259839
+C	 0.4585632158	 0.0206926604	 0.0641329534	 0.169795
+C	 0.3073068544	 1.437772514	 0.5871594281	-0.152898
+C	-1.0569531425	 2.0939976618	 0.2212011257	-0.246701
+C	-1.8121785214	 2.2875242509	 1.5578034118	-0.209268
+C	-0.6914751722	 2.4497680203	 2.5976853257	-0.286331
+C	 0.3344549656	 1.4369394791	 2.1272443418	 0.418162
+C	 1.4694630981	 0.9452752542	 2.9057585311	-0.257305
+O	 0.2900351628	 0.1421919758	 2.7586361029	-0.267742
+H	-0.4645340463	-0.5964613874	 0.1333038689	 0.084043
+H	 1.151790796	 2.0156320408	 0.2021157864	 0.100091
+H	-0.8786649403	 3.0577942525	-0.2640934772	 0.112853
+H	-1.6275342604	 1.4850530355	-0.4877442787	 0.107879
+H	-2.5054628648	 3.1316952778	 1.5296858806	 0.102307
+H	-2.3954252431	 1.3907266872	 1.794207561	 0.116479
+H	-0.264874272	 3.4596916435	 2.5465238586	 0.105687
+H	-1.002316019	 2.258879044	 3.6273224004	 0.11534
+H	 2.3518213476	 0.5690022686	 2.3896032925	 0.130363
+H	 1.6431424714	 1.3319727974	 3.9091210664	 0.117086
+19
+0 874	2.2301461	1.6080367	1.0870075	2.3933	76.32	-0.2392	-0.02117	0.21803	1140.982	0.156629	-422.554781	-422.54625	-422.545306	-422.588888	31.525
+O	 1.5394706447	-0.3734307209	-0.259121836	-0.263184
+C	 0.3790118259	-0.0923400137	-0.1061915859	 0.166615
+C	-0.4378631067	 0.7688084197	-1.0438233021	-0.154629
+C	-1.1802205992	 1.9023276918	-0.2833743187	-0.253144
+C	-2.640535477	 1.7396936362	-0.7420576616	-0.095286
+O	-2.7840817907	 0.3486869195	-0.9950822835	-0.273697
+C	-1.6022153564	-0.0462035059	-1.6434176914	 0.422435
+C	-1.6700287187	-0.370463499	-3.1144657324	-0.326551
+C	-1.5212892417	-1.4727483999	-2.0804382588	-0.345314
+H	-0.201435508	-0.4806459015	 0.7637332597	 0.079841
+H	 0.2264242134	 1.1481366525	-1.8225823429	 0.095992
+H	-1.1100314463	 1.7440548492	 0.7983245437	 0.114244
+H	-0.7673452009	 2.8885908124	-0.5033338542	 0.117433
+H	-3.3770626759	 2.0226390736	 0.0131252096	 0.11371
+H	-2.8291050954	 2.3222408936	-1.6568029854	 0.097752
+H	-2.6397905982	-0.2642603922	-3.5876373347	 0.12317
+H	-0.8185311941	-0.1345072791	-3.7441730687	 0.118025
+H	-2.3876284427	-2.0925927406	-1.8793977939	 0.130642
+H	-0.5672329821	-1.9832049254	-2.0037518428	 0.131947
+19
+0 875	2.0581377	1.7216583	1.1114725	2.4111	75.56	-0.2445	-0.02104	0.22346	1126.1015	0.156884	-422.551773	-422.543246	-422.542302	-422.58582	31.31
+O	 1.3303511781	-0.5018757171	 0.1674562208	-0.267357
+C	 0.2186964065	-0.0434902131	 0.0923685141	 0.170301
+C	-0.4254933521	 0.8335015603	 1.1444310511	-0.178622
+C	-1.1943018174	 1.9979539043	 0.4829361307	-0.116436
+O	-2.4817993166	 1.4796549693	 0.1964765923	-0.24321
+C	-2.861920366	 0.7067811132	 1.3248148221	-0.148467
+C	-1.5679947072	 0.0711517085	 1.8496273101	 0.313946
+C	-1.456017292	-0.3933186173	 3.2761365436	-0.315397
+C	-1.4767380095	-1.4051181014	 2.1587014354	-0.315399
+H	-0.439452998	-0.2571921047	-0.7808503983	 0.086551
+H	 0.3474997894	 1.1685787507	 1.8399939847	 0.094189
+H	-1.2502686512	 2.8538473707	 1.17397358	 0.101098
+H	-0.755141211	 2.3413621009	-0.4583948828	 0.118773
+H	-3.3165087117	 1.3501856621	 2.0960521259	 0.094215
+H	-3.6088534309	-0.0215708338	 0.9964591801	 0.114424
+H	-0.5201078725	-0.2276183969	 3.7993083054	 0.122842
+H	-2.3387099622	-0.3036672961	 3.9025293999	 0.115491
+H	-0.5515090808	-1.9217151291	 1.9255808818	 0.13588
+H	-2.3708612652	-2.0053907804	 2.0244511632	 0.11718
+19
+0 876	2.2689891	1.7059204	1.1184889	2.9999	75.2	-0.24363	-0.02787	0.21576	1103.2385	0.156522	-422.553235	-422.544651	-422.543707	-422.587122	31.557
+O	-0.5156852039	-1.5402180655	-0.3191138495	-0.25003
+C	-0.3359361501	-0.3716674266	-0.0887588344	 0.123816
+C	-1.3739910152	 0.530444325	 0.5551779861	-0.002339
+O	-1.0365959688	 1.8939552634	 0.325797755	-0.279843
+C	-0.9329590247	 2.593556135	 1.5703153565	-0.071659
+C	-1.7436560244	 1.7679706294	 2.5709322986	-0.308022
+C	-1.4671185911	 0.3552002628	 2.0795954501	 0.313323
+C	-2.0338703223	-0.8796252596	 2.7087571723	-0.324946
+C	-0.5623197418	-0.5732288195	 2.8605349389	-0.315295
+H	 0.622670144	 0.1447131908	-0.3196754809	 0.089165
+H	-2.3451839234	 0.3138730258	 0.087172378	 0.104006
+H	 0.120608516	 2.6615744962	 1.8789892319	 0.098051
+H	-1.314189607	 3.6077405429	 1.4208273115	 0.110948
+H	-1.438438163	 1.9299103595	 3.6076448475	 0.107322
+H	-2.8103804497	 2.0058403052	 2.4833300019	 0.111614
+H	-2.6814424696	-0.764259666	 3.5718008808	 0.115226
+H	-2.3009158883	-1.697060879	 2.046984615	 0.13511
+H	-0.2068047878	-0.2242495235	 3.8244969076	 0.111009
+H	 0.1365910213	-1.2088783262	 2.3296191631	 0.132545
+19
+0 877	1.670284	1.6348076	0.8879107	4.4616	77.22	-0.25578	-0.03433	0.22145	1298.7401	0.156112	-422.591518	-422.582326	-422.581382	-422.627462	32.067
+O	 1.0035824582	-1.0035398573	 3.8050418346	-0.244794
+C	 0.8424009756	 0.060876513	 3.2692868755	 0.155324
+C	-0.39408889	 0.4733726462	 2.5034392419	-0.082586
+C	-1.1120007189	 1.6792161012	 3.1480379657	-0.229904
+C	-2.0189942067	 2.1969404145	 2.0221957629	-0.208888
+C	-1.1941759992	 2.0047923957	 0.7270793764	-0.246679
+C	-0.0674908069	 0.977320552	 1.0678478554	-0.073637
+C	-0.0152343894	-0.1588059812	 0.0703391723	 0.154745
+O	 0.9509461758	-0.4766947452	-0.5707428891	-0.244553
+H	 1.623948746	 0.8570290579	 3.3187388262	 0.075608
+H	-1.0708513382	-0.3881497481	 2.4664699851	 0.096421
+H	-1.6549063021	 1.4034223994	 4.0557601934	 0.117648
+H	-0.3708607865	 2.440786867	 3.4241995835	 0.107769
+H	-2.9315023904	 1.5926490216	 1.9818004338	 0.110405
+H	-2.3276716248	 3.2347837289	 2.1723424221	 0.108773
+H	-1.8227258908	 1.6473253963	-0.0955306727	 0.112069
+H	-0.743632976	 2.9411866174	 0.3892258891	 0.121265
+H	 0.9137474643	 1.4627756239	 1.0603879253	 0.095696
+H	-0.98502459	-0.7023424934	-0.0385234513	 0.075317
+19
+0 878	2.7109379	1.4299851	1.1515755	1.0754	74.29	-0.25366	-0.02909	0.22457	1107.0427	0.157821	-422.565487	-422.55741	-422.556466	-422.598376	30.476
+O	 0.4014979127	 0.2376406556	 0.9472833793	-0.240919
+C	 0.13354388	-0.1840258426	-0.1482200011	 0.150116
+C	-0.576688074	 0.5996790284	-1.2403416659	-0.121174
+C	-1.0658283022	 1.9805847689	-0.7804314815	-0.221338
+C	-2.3415368679	 1.8681246475	 0.0654319647	-0.208885
+C	-3.5143496193	 1.2557693518	-0.7192581449	-0.224033
+C	-3.1074474669	 0.0738549788	-1.5812572277	 0.050847
+O	-2.4810851941	 0.3887911302	-2.838128719	-0.260685
+C	-1.6918245942	-0.2472163553	-1.838496936	 0.043017
+H	 0.4252128485	-1.219284096	-0.4444095289	 0.079813
+H	 0.1841521276	 0.7134952248	-2.0315329516	 0.108996
+H	-0.2730278806	 2.4576609723	-0.1986558301	 0.115051
+H	-1.2540449413	 2.5990597306	-1.6636218762	 0.10935
+H	-2.1241059343	 1.2509970205	 0.9441169803	 0.117789
+H	-2.6281269363	 2.8549107211	 0.4428229608	 0.098862
+H	-4.3013438335	 0.9378975204	-0.0267848606	 0.101847
+H	-3.9657273835	 2.0053712127	-1.3806718819	 0.117469
+H	-3.8316400995	-0.7371823256	-1.6601479829	 0.094236
+H	-1.4219562112	-1.280116544	-2.0695173866	 0.089643
+19
+0 879	3.0456535	1.2641403	0.9927624	1.6236	75.68	-0.2441	-0.0231	0.221	1191.6206	0.157768	-422.552023	-422.543849	-422.542904	-422.58536	30.715
+O	 1.3911438032	-0.1297783782	 0.8352804336	-0.249081
+C	 0.5168785755	 0.0438458839	 0.0262831359	 0.156862
+C	 0.3254666617	 1.3087637508	-0.7885531638	-0.08559
+C	-0.965073027	 2.0426083509	-0.3582375545	-0.242742
+C	-1.3323734927	 3.0977603647	-1.3997723193	-0.073316
+O	-1.6637503124	 2.4957568519	-2.6424978685	-0.256199
+C	-0.6541538416	 1.6989343163	-3.1939206714	 0.094271
+C	-0.7630346234	 0.2137623053	-2.9821848761	-0.311921
+C	 0.3298113354	 1.0044308089	-2.283541051	-0.07493
+H	-0.2424910977	-0.7458507564	-0.1804091794	 0.074052
+H	 1.1794134564	 1.9583980279	-0.5673694087	 0.094583
+H	-1.8032124393	 1.3413874455	-0.260347185	 0.110857
+H	-0.8120056785	 2.5057520553	 0.6218616011	 0.116012
+H	-2.2229140196	 3.6552995553	-1.0972697324	 0.113165
+H	-0.5047511578	 3.8153173345	-1.5199103432	 0.093282
+H	-0.2992074703	 2.0722527969	-4.1518674995	 0.096946
+H	-1.6224145198	-0.1116987022	-2.4068897462	 0.12343
+H	-0.4687554053	-0.4612268366	-3.7780455614	 0.117259
+H	 1.325878933	 0.8638256552	-2.6923403302	 0.10306
+19
+0 880	2.9025957	1.3300463	1.0496489	2.5529	75.36	-0.24879	-0.0258	0.22299000000000002	1162.365	0.157967	-422.553322	-422.545265	-422.54432	-422.586375	30.418
+O	 0.4684934033	 0.2084133491	 0.8188025126	-0.244432
+C	 0.2343729849	-0.1568348055	-0.3047688175	 0.139633
+C	-0.459379971	 0.6768874639	-1.3632419568	-0.111125
+C	-0.9735031219	 2.0069502825	-0.7924428315	-0.086451
+O	-1.8788259466	 2.6378686306	-1.682518589	-0.248699
+C	-3.1088717776	 1.9389290353	-1.7506538326	-0.103758
+C	-2.9293269333	 0.5128067395	-2.2343173193	-0.030387
+C	-2.0455175986	 0.2457538082	-3.4229751173	-0.295593
+C	-1.5739240589	-0.13247009	-2.0385887714	-0.044952
+H	 0.5344489155	-1.1742865114	-0.6500991605	 0.081548
+H	 0.3180225724	 0.8827194721	-2.116024532	 0.107239
+H	-1.4549730111	 1.8271908889	 0.1802308895	 0.105672
+H	-0.1505463916	 2.7062264726	-0.6310101381	 0.118183
+H	-3.5919272765	 1.93558227	-0.758506792	 0.091753
+H	-3.7464449652	 2.5090500296	-2.4345588828	 0.110169
+H	-3.8035222231	-0.1187674408	-2.1061840384	 0.08901
+H	-2.3212354793	-0.5474137549	-4.1090220614	 0.111351
+H	-1.5689866304	 1.104542776	-3.885268152	 0.124719
+H	-1.570648351	-1.1950698757	-1.8093327694	 0.086119
+19
+0 881	3.012786	1.352851	1.0471046	3.0362	75.08	-0.24607	-0.02471	0.22136	1156.9371	0.157512	-422.555115	-422.546801	-422.545857	-422.589293	30.736
+O	 1.2000978682	-0.6645740475	 0.0243974203	-0.254465
+C	 0.2398912895	 0.0594042547	 0.0213108833	 0.144426
+C	 0.2197181264	 1.422665005	-0.657845467	 0.006963
+O	-0.9958309141	 2.0488179316	-0.29767829	-0.263555
+C	-1.1021382188	 3.3490941826	-0.8639766582	-0.071105
+C	-1.304721112	 3.29223792	-2.3819961519	-0.232134
+C	-0.3934908661	 2.2559930301	-3.0406030409	-0.042322
+C	-0.7838985008	 0.7973007807	-2.9924497034	-0.288939
+C	 0.3751446553	 1.2876928245	-2.165181536	-0.027235
+H	-0.7207624963	-0.2145894547	 0.5106845104	 0.091895
+H	 1.074256914	 2.001092198	-0.2633463944	 0.092064
+H	-1.9487178616	 3.8319961911	-0.3686048583	 0.109873
+H	-0.1940988501	 3.9247398796	-0.6217158457	 0.092652
+H	-2.3528819619	 3.0618340179	-2.6036316184	 0.110179
+H	-1.107191013	 4.285877203	-2.798415592	 0.103335
+H	 0.110242083	 2.5850264472	-3.943576293	 0.090511
+H	-1.7072609136	 0.5567734108	-2.474995531	 0.120397
+H	-0.5692980565	 0.1702819432	-3.8502579295	 0.11409
+H	 1.3726695683	 0.9946009121	-2.4735822046	 0.103369
+19
+0 882	3.1559441	1.1879366	0.9029531	2.8166	77.81	-0.24253	-0.02792	0.21461	1272.6611	0.156782	-422.564829	-422.556195	-422.55525	-422.598599	31.728
+O	 0.7034464667	 0.1728729931	 0.7816235638	-0.248455
+C	 0.0700324125	-0.2255332306	-0.1599061332	 0.146029
+C	-0.4638060965	 0.6651700119	-1.2788816649	 0.01853
+C	-0.8906282563	 2.0395059225	-0.7529778305	-0.247655
+C	-1.2409479823	 3.0564890899	-1.8104536837	-0.075663
+C	-1.9779939226	 2.861626418	-2.9049177933	-0.054134
+C	-2.6408638645	 1.5770227717	-3.3444708557	-0.2536
+C	-1.794478567	 0.3063007746	-3.2318990466	-0.071421
+O	-1.4933307252	-0.0746369877	-1.9004270313	-0.261223
+H	-0.1727501097	-1.3007326524	-0.3063237373	 0.094963
+H	 0.3747712109	 0.8030622175	-1.9879724312	 0.095629
+H	-1.7452936285	 1.8909696854	-0.0772868646	 0.122184
+H	-0.0723143235	 2.4076002837	-0.1272472286	 0.127986
+H	-0.8723236392	 4.0631106063	-1.6256687093	 0.09111
+H	-2.1626900526	 3.7229446923	-3.5431830441	 0.089433
+H	-3.5647731463	 1.4213374057	-2.7685802681	 0.122767
+H	-2.951103551	 1.6706604054	-4.3920081947	 0.103875
+H	-2.3503505956	-0.5358965455	-3.6568323888	 0.106984
+H	-0.8625154593	 0.4247964381	-3.8072879579	 0.092664
+19
+0 883	3.0612694	1.190392	0.9016479	2.8116	78.02	-0.24401	-0.0258	0.21821000000000002	1272.9065	0.156983	-422.559461	-422.550789	-422.549845	-422.593533	31.528
+O	 0.2468656454	 0.2790268678	 1.0662662049	-0.246069
+C	 0.1402046035	-0.0952701577	-0.073760217	 0.150661
+C	-0.5342086525	 0.6793685192	-1.1903975503	-0.097201
+C	-1.1429176359	 1.9939251211	-0.695030082	-0.092235
+O	-1.2677279593	 2.934324077	-1.7429064759	-0.236818
+C	-2.4381465901	 2.8377955938	-2.5208822343	-0.133222
+C	-2.6511185632	 1.5810529164	-3.3289855601	-0.051352
+C	-2.2724065182	 0.3249032668	-3.092335956	-0.070204
+C	-1.5158585816	-0.2523335829	-1.9238319224	-0.271023
+H	 0.5519520622	-1.0832441443	-0.3888636721	 0.078378
+H	 0.2640353231	 0.9470720292	-1.9004689144	 0.113694
+H	-2.1126004806	 1.815579716	-0.2037475251	 0.093029
+H	-0.4775374967	 2.4389710166	 0.0485489874	 0.127091
+H	-3.3300976862	 2.9954815714	-1.8840544746	 0.101591
+H	-2.3952177517	 3.6919377843	-3.2054571854	 0.116705
+H	-3.2571803965	 1.7528206919	-4.2178842634	 0.092038
+H	-2.5954292129	-0.4246692362	-3.8127498428	 0.092041
+H	-2.2515473423	-0.6338810405	-1.1969766863	 0.123473
+H	-0.9683190568	-1.1398219399	-2.2662359004	 0.109422
+19
+0 884	2.4928744	1.4002904	0.966574	3.8734	75.51	-0.24227	-0.02742	0.21485	1216.9888	0.157132	-422.605726	-422.597099	-422.596155	-422.639624	31.646
+O	 0.4557413429	 0.2418489051	-0.8732021266	-0.245979
+C	 0.2028697753	-0.1758707085	 0.2276386043	 0.154202
+C	-0.5143916532	 0.6378130922	 1.2918411501	-0.203881
+C	-1.0043855359	 2.0090480533	 0.7867449403	-0.195569
+C	-1.7517164711	 2.780178916	 1.8800764574	-0.212271
+C	-2.9315375216	 1.9674022488	 2.4277464795	-0.201014
+C	-2.4711611551	 0.5957611647	 2.9622687832	-0.291941
+C	-1.6553823311	-0.1670511983	 1.9317815278	 0.384865
+O	-1.8850159034	-1.3149946831	 1.6280047681	-0.304914
+H	 0.4968896599	-1.1971614421	 0.5419757061	 0.101971
+H	 0.2192999853	 0.8016987721	 2.1009359347	 0.115101
+H	-0.1497698319	 2.5776740309	 0.4103727364	 0.118407
+H	-1.663429495	 1.8482231042	-0.0746397744	 0.120221
+H	-1.0611183912	 3.0222033208	 2.6999736669	 0.096336
+H	-2.107821362	 3.73608248	 1.4816106986	 0.104632
+H	-3.4449325409	 2.5154535377	 3.2243410564	 0.10591
+H	-3.6682360005	 1.8116331409	 1.6293506859	 0.112588
+H	-1.8288661422	 0.7521730571	 3.8411201216	 0.117742
+H	-3.3103831482	-0.032755962	 3.2694459737	 0.123593
+19
+0 885	2.5434362	1.362317	1.140055	3.3578	77.81	-0.23613	-0.0283	0.20783000000000001	1143.3069	0.157651	-422.559652	-422.551136	-422.550191	-422.593303	31.375
+O	 1.31071077	-0.3074203361	 0.0140549678	-0.252806
+C	 0.1216945444	-0.1522475377	 0.1243517067	 0.149825
+C	-0.5307531749	 0.655861673	 1.2497493138	-0.103863
+C	-1.1790543906	 1.9658617413	 0.7348368899	-0.265967
+C	-2.1268483261	 1.7958927681	-0.4650796594	-0.081236
+O	-2.8229451057	 0.5644144524	-0.4965541874	-0.231648
+C	-3.5965078496	 0.2651691387	 0.648759666	-0.140702
+C	-2.8113539464	-0.3501434102	 1.7806385525	-0.040566
+C	-1.5072043418	-0.2086957915	 2.0199234114	-0.09876
+H	-0.5981788801	-0.6027509717	-0.5891511906	 0.101872
+H	 0.2893820578	 0.9291436462	 1.9211482199	 0.096667
+H	-1.7148841474	 2.4109244621	 1.5800468644	 0.114236
+H	-0.394708311	 2.6772071737	 0.4517336046	 0.115897
+H	-2.8359686206	 2.6389962102	-0.4911353946	 0.096785
+H	-1.562889505	 1.8155858196	-1.4027204443	 0.119315
+H	-4.1447075435	 1.1595260426	 0.9943751409	 0.103315
+H	-4.3571911922	-0.4519127842	 0.3182098932	 0.121131
+H	-3.3967563454	-0.9820550829	 2.4460794433	 0.094658
+H	-1.0757318319	-0.7600300134	 2.8516425017	 0.101848
+19
+0 886	2.6571217	1.3145896	1.0672383	3.338	77.97	-0.24044	-0.03213	0.20831	1175.7997	0.157437	-422.558143	-422.549478	-422.548534	-422.592713	31.499
+O	 1.3467827415	-0.2385687544	 0.0446416026	-0.246993
+C	 0.1643155568	-0.0180994478	 0.0781737504	 0.16736
+C	-0.5358571811	 0.7324880961	 1.2105044066	-0.14553
+C	-1.2105792669	 2.0265840375	 0.706879866	-0.098848
+O	-2.0506522427	 1.8970238018	-0.4194409258	-0.256038
+C	-3.1096820956	 0.9509341768	-0.3752947135	-0.056335
+C	-3.6912664838	 0.6331716221	 1.0045793699	-0.283813
+C	-2.8060521137	-0.2127349105	 1.8889045694	-0.053411
+C	-1.4734862611	-0.1910105408	 1.9557665198	-0.080883
+H	-0.5109714202	-0.3734111734	-0.7296448977	 0.087616
+H	 0.2641674564	 1.0347947488	 1.8973610066	 0.102318
+H	-1.745049235	 2.4778856388	 1.5562727339	 0.101629
+H	-0.436683051	 2.7346834296	 0.3947703677	 0.121226
+H	-3.8958065552	 1.36754702	-1.0145349271	 0.11019
+H	-2.7797342063	 0.0059827324	-0.834965775	 0.094591
+H	-3.9839866235	 1.5622380332	 1.5132209669	 0.12631
+H	-4.6287810476	 0.0909561031	 0.8336715765	 0.112093
+H	-3.328228015	-0.9173839339	 2.5326382824	 0.096449
+H	-0.9804560961	-0.8938947794	 2.6235104304	 0.102069
+19
+0 887	3.1382271	1.213826	0.9393143	3.131	77.93	-0.24099	-0.02807	0.21292	1249.1643	0.156862	-422.561862	-422.553325	-422.552381	-422.595341	31.621
+O	 0.9678265976	-0.8618916875	-0.2620457886	-0.243621
+C	 0.2740679381	 0.0756730854	 0.0263207332	 0.142354
+C	 0.2920720349	 1.4223131094	-0.7031771225	-0.036827
+O	-0.9270446102	 2.0590908549	-0.3832819524	-0.254359
+C	-0.909180079	 3.4776596386	-0.4007680251	-0.067549
+C	-0.3601173434	 4.0835688009	-1.697744979	-0.226929
+C	-0.7568701493	 3.2981806342	-2.9590046155	-0.23916
+C	 0.028263504	 2.0197750289	-3.1444091413	-0.072605
+C	 0.5207853302	 1.2393641488	-2.1846396536	-0.04533
+H	-0.4417746384	 0.057526631	 0.8763618368	 0.097491
+H	 1.1424205662	 1.9682646023	-0.2464413691	 0.104155
+H	-1.9570435377	 3.7635892244	-0.2627637017	 0.111699
+H	-0.3422239705	 3.8629151453	 0.4625652811	 0.090864
+H	-0.7220269982	 5.1165056215	-1.7634816772	 0.100677
+H	 0.7335504237	 4.1427818597	-1.6552621199	 0.108893
+H	-1.8347285501	 3.0832130474	-2.9471969143	 0.119242
+H	-0.5913907155	 3.9319930036	-3.8374954465	 0.103742
+H	 0.2225343857	 1.7320967668	-4.1755347924	 0.093612
+H	 1.1054325518	 0.3586906247	-2.4348328119	 0.113648
+19
+0 888	3.2357847	0.9173081	0.7909358	2.7764	77.67	-0.24532	-0.03571	0.20961000000000002	1329.4595	0.154938	-422.568554	-422.559042	-422.558098	-422.605159	32.906
+O	-2.2737571119	-3.3433258582	-0.5290852583	-0.235386
+C	-1.6153067294	-2.728234855	-1.3250571869	 0.162677
+C	-0.1897080396	-2.2634137096	-1.067376414	-0.37462
+C	 0.00802683	-0.8158088205	-1.5302738098	 0.346424
+O	-0.3199609466	-0.4847489231	-2.6479211772	-0.311706
+C	 0.5582637142	 0.1484989575	-0.5107735396	-0.072445
+C	-0.4568783284	 0.626870592	 0.5906940543	-0.23076
+C	 0.1141254754	 2.0610199583	 0.4213507735	-0.207631
+C	 0.7580935495	 1.6260952751	-0.9224592651	-0.234392
+H	-2.0051363728	-2.4433806833	-2.3238448371	 0.108755
+H	 0.0676301442	-2.4266217848	-0.0190613099	 0.127163
+H	 0.4675189665	-2.8824592269	-1.6937211369	 0.156832
+H	 1.4456784292	-0.2873648904	-0.0391518226	 0.090127
+H	-1.491110507	 0.5529120451	 0.2426571902	 0.118826
+H	-0.3835306276	 0.1573471278	 1.573348648	 0.111281
+H	-0.607457581	 2.8799531555	 0.3913064299	 0.106803
+H	 0.8651407063	 2.2881920565	 1.1827879605	 0.106871
+H	 0.1360182064	 1.8636520157	-1.7882374396	 0.128035
+H	 1.7804851724	 1.9519214883	-1.1232972894	 0.103145
+19
+0 889	2.0609356	1.2663551	0.8693187	2.1395	76.91	-0.24607	-0.04301	0.20306000000000002	1345.496	0.154487	-422.565014	-422.555269	-422.554325	-422.601727	33.787
+O	 2.7308371949	 1.8674699887	 2.8253682085	-0.233881
+C	 1.5480458544	 1.7209592635	 2.6682188745	 0.164713
+C	 0.8977025414	 1.3713303318	 1.3369603353	-0.359058
+C	-0.0001152744	 0.1387188049	 1.5089611416	 0.356861
+O	-1.0021408675	 0.21230838	 2.1810169355	-0.303828
+C	 0.4692061262	-1.1650107768	 0.88011647	-0.311114
+C	 1.6524128662	-1.7385830455	 1.6460720589	 0.021059
+C	 2.5667847253	-2.7496173382	 1.0000388649	-0.280129
+C	 3.0758307027	-1.3649230999	 1.3065472405	-0.249177
+H	 0.8238217597	 1.8244116791	 3.5038525845	 0.105274
+H	 0.2357707242	 2.2044839104	 1.0711289305	 0.150472
+H	 1.6701740563	 1.2505576914	 0.5776252476	 0.124069
+H	-0.3748821734	-1.8608492837	 0.8980543277	 0.125363
+H	 0.7570570427	-0.9912512201	-0.1639803327	 0.108664
+H	 1.4454486742	-1.901102969	 2.7005229199	 0.100866
+H	 2.9169928075	-3.5786497771	 1.6045488517	 0.119676
+H	 2.3852549089	-3.004006365	-0.0391673381	 0.114501
+H	 3.7778634426	-1.2308408558	 2.1209993971	 0.129604
+H	 3.245935888	-0.6968009886	 0.4690404121	 0.116066
+19
+0 890	1.9306362	1.2387195	0.812053	1.0001	77.39	-0.24947	-0.0361	0.21337	1393.6278	0.153803	-422.558304	-422.548342	-422.547397	-422.595084	34.055
+O	 0.4076438086	-1.0678302537	-0.0143824471	-0.236419
+C	 0.52887502	 0.1175161645	-0.1762218391	 0.171704
+C	-0.1802625537	 0.9218057014	-1.2460718029	-0.303562
+C	-0.9874046102	 2.1007343207	-0.6476868643	-0.111851
+C	-1.5453668643	 2.9401762999	-1.7862557999	 0.164906
+O	-1.1799695297	 4.0522109159	-2.0632553417	-0.247529
+C	-2.1226607468	 1.6206128324	 0.2421669122	 0.017072
+C	-1.9113957182	 1.4303854409	 1.7248377654	-0.26939
+C	-2.7682906003	 2.5656632627	 1.2253349788	-0.279455
+H	 1.2075367054	 0.7209133714	 0.4707997388	 0.075951
+H	 0.5893126844	 1.3228593742	-1.9207462508	 0.132756
+H	-0.8234350637	 0.2472868266	-1.8197775183	 0.125094
+H	-0.3135557228	 2.7523556756	-0.0789891927	 0.096528
+H	-2.3478232791	 2.4336072156	-2.3728653019	 0.076261
+H	-2.7847960209	 0.9033601875	-0.2369196118	 0.096624
+H	-2.3938729591	 0.586056348	 2.2035017798	 0.127086
+H	-0.9385831808	 1.6765435356	 2.1374003561	 0.11756
+H	-3.8412505611	 2.5052354885	 1.3669639271	 0.120732
+H	-2.3666777377	 3.5712889222	 1.2952857621	 0.125933
+19
+0 891	2.3042727	1.3213688	0.9697027	1.624	75.32	-0.25024	-0.02605	0.22419000000000003	1240.1178	0.154821	-422.527263	-422.51808	-422.517135	-422.562149	33.026
+O	 0.4624627754	-1.182825423	 0.0429511583	-0.240289
+C	 0.519351411	 0.0100008808	 0.1930587281	 0.169415
+C	-0.2468769884	 0.7899378787	 1.2442951005	-0.363249
+C	-1.0192668865	 1.9606913948	 0.6512239895	 0.309311
+C	-1.2452735324	 3.1868073666	 1.5055457977	-0.313489
+C	-0.2908692497	 3.2466186293	 0.3394498862	-0.30884
+C	-2.1430993561	 1.5380185444	-0.2546557997	 0.012292
+C	-2.0207201871	 1.4934977518	-1.7193771144	-0.178225
+O	-2.741392183	 2.5446737122	-1.0661296347	-0.236906
+H	 1.1683268336	 0.6405631204	-0.4581443659	 0.075425
+H	-0.9050282024	 0.0951439278	 1.7772921568	 0.121654
+H	 0.4871111236	 1.1747424197	 1.9656870723	 0.120715
+H	-2.1933583948	 3.700684585	 1.3945434463	 0.132892
+H	-0.84054923	 3.189422815	 2.5118755901	 0.113211
+H	-0.6142420704	 3.8022040425	-0.5329447562	 0.135517
+H	 0.7729800496	 3.2941138959	 0.5451875335	 0.110452
+H	-2.862374633	 0.8581337641	 0.2079000434	 0.098796
+H	-1.0857588697	 1.7972525772	-2.1868683823	 0.116871
+H	-2.6298880197	 0.7985635668	-2.2941657394	 0.124448
+19
+0 892	2.3286609	1.3600094	0.9890099	2.7591	75.41	-0.24824	-0.02278	0.22546	1226.9284	0.154756	-422.52993	-422.520739	-422.519795	-422.564857	33.13
+O	 0.3486424456	-1.2176008848	 0.1998681465	-0.244201
+C	 0.3982722852	-0.0221283759	 0.330915668	 0.169868
+C	-0.4168593886	 0.7669948035	 1.338656737	-0.348396
+C	-1.1377658682	 1.9500880014	 0.7064158902	 0.367293
+C	-1.1870175344	 3.2315294983	 1.4279001163	-0.226715
+O	-0.279714719	 3.0388741499	 0.3355629983	-0.271753
+C	-2.2001978851	 1.5964639065	-0.2964349282	-0.062956
+C	-1.8326539086	 1.4136081536	-1.7519445637	-0.259847
+C	-2.6590455941	 2.5984917944	-1.3197794552	-0.281011
+H	 1.0843297305	 0.5999184464	-0.2854194676	 0.092212
+H	-1.1227292697	 0.0878739531	 1.8263748868	 0.122519
+H	 0.2820598966	 1.1449495649	 2.0960841075	 0.124692
+H	-2.0059522166	 3.9202594659	 1.230623466	 0.120305
+H	-0.7214088007	 3.3233038423	 2.4080804234	 0.115039
+H	-2.9512173099	 0.915806959	 0.0954097529	 0.09395
+H	-0.8064179134	 1.613550145	-2.0390423275	 0.125988
+H	-2.3094554019	 0.6113283512	-2.3028235689	 0.120289
+H	-2.1638121227	 3.5626930265	-1.3231939714	 0.129747
+H	-3.7121046851	 2.6209067188	-1.5757621204	 0.112979
+19
+0 893	2.0334857	1.6957786	1.1873543	1.7477	75.65	-0.25727	0.00594	0.26321	1118.6863	0.155668	-422.54652	-422.537626	-422.536682	-422.580528	32.894
+O	-0.0164117871	-0.311137134	 0.1468890055	-0.29793
+C	-0.4598120964	-0.066597476	-0.9386588575	 0.166909
+O	-1.0034134054	 1.0910069222	-1.3612624007	-0.258931
+C	-1.0582964087	 2.208762066	-0.468222027	 0.429452
+C	-0.4647392321	 3.4599674038	-1.0545747564	-0.314461
+C	 0.2418568257	 2.7305651705	 0.0682323654	-0.306946
+C	-2.3210926041	 2.2952151319	 0.3344232902	-0.027819
+C	-2.9762560316	 1.1007680019	 0.9778073372	-0.280299
+C	-3.6338852765	 1.7788084526	-0.2000185595	-0.277066
+H	-0.4861629379	-0.7736928292	-1.7837885074	 0.109102
+H	-0.039489367	 3.3805731496	-2.048419797	 0.124393
+H	-0.9603853478	 4.4014302507	-0.8451991166	 0.117169
+H	 1.1446790315	 2.1830124663	-0.1704554146	 0.132356
+H	 0.2314171786	 3.160138598	 1.0638949194	 0.123313
+H	-2.3684567396	 3.2211761764	 0.9005842046	 0.083679
+H	-2.5286952176	 0.1264668075	 0.8282603723	 0.133317
+H	-3.411459563	 1.2387564846	 1.9614656997	 0.112237
+H	-3.6130667031	 1.2595898409	-1.1512895128	 0.120859
+H	-4.5259362781	 2.3715021363	-0.0310099548	 0.110664
+19
+0 894	1.6214554	1.4296521	0.8593054	4.828	76.28	-0.25245	-0.03205	0.2204	1359.507	0.153373	-422.559852	-422.549949	-422.549004	-422.596359	34.346
+O	 0.2210943603	-1.1719236047	-0.2148767932	-0.232597
+C	 0.2742489498	 0.0169675356	-0.0410560174	 0.1654
+C	-0.3927686943	 0.756520763	 1.1055495749	-0.359032
+C	-1.102140717	 2.027350124	 0.6550329863	 0.340035
+C	-2.3282390724	 1.7979094065	-0.2197461042	-0.35902
+C	-3.4745763237	 1.1456200827	 0.5332284932	 0.165395
+O	-4.1434876195	 0.2382065921	 0.114104642	-0.232598
+C	-0.2503951273	 3.2486271882	 0.3818375709	-0.314099
+C	-1.1278152029	 3.2045878871	 1.6063824466	-0.314109
+H	 0.8516786571	 0.6745589135	-0.7319956321	 0.077675
+H	-1.0674360118	 0.0618433	 1.6168270703	 0.130918
+H	 0.4040760529	 1.0227140352	 1.814294786	 0.122512
+H	-2.6992384191	 2.7682922793	-0.5787180906	 0.122514
+H	-2.1032466292	 1.187049478	-1.1003058875	 0.130919
+H	-3.6720275942	 1.5909524049	 1.5361951623	 0.077674
+H	 0.8221496106	 3.1661656885	 0.5216716177	 0.118827
+H	-0.539156288	 3.9005378184	-0.4353264937	 0.120379
+H	-0.6543093447	 3.0890530655	 2.5751836753	 0.120379
+H	-2.0127526564	 3.8317966122	 1.6206055432	 0.118828
+19
+0 895	2.3096838	1.4377877	1.1334348	3.6554	76.	-0.24993	-0.02326	0.22667	1151.3727	0.154388	-422.566797	-422.557422	-422.556478	-422.601471	33.27
+O	 0.2961724624	 0.2026584948	 1.0922409618	-0.24343
+C	 0.1703839147	-0.1137525614	-0.0634930289	 0.170591
+C	-0.5255090538	 0.7218444743	-1.1158087365	-0.377294
+C	-1.1657648872	 1.9937379904	-0.5721362432	 0.250647
+C	-0.1653248456	 3.0730044983	-0.0475664789	-0.259737
+C	-0.3025537916	 3.8492284633	-1.3820725441	-0.213724
+C	-1.5744180461	 3.0203759958	-1.6948166125	-0.272878
+C	-2.3222180623	 1.6665810012	 0.343260947	 0.133689
+O	-2.8636274107	 0.5931647281	 0.4182578415	-0.269683
+H	 0.5856981911	-1.0754137107	-0.4412953625	 0.084604
+H	 0.2125511239	 0.9444492542	-1.89983291	 0.120943
+H	-1.2828594505	 0.0837447773	-1.5894109984	 0.142513
+H	-0.5873629572	 3.6245523856	 0.7984822244	 0.107951
+H	 0.821784926	 2.7123011503	 0.2416982137	 0.119799
+H	-0.4220059952	 4.9329035064	-1.3208640585	 0.105545
+H	 0.5141206264	 3.6356006942	-2.0766538817	 0.107255
+H	-2.4925709256	 3.5577150276	-1.4380879934	 0.110051
+H	-1.6897149228	 2.6051165292	-2.6989100988	 0.110463
+H	-2.6885846761	 2.5378938311	 0.9354375288	 0.072695
+19
+0 896	3.792702	1.0757465	1.0325559	3.3574	75.67	-0.23881	-0.01945	0.21936	1217.0043	0.157008	-422.551064	-422.542959	-422.542015	-422.584617	30.543
+O	 1.2970151513	-0.5714376625	-0.0461751197	-0.244332
+C	 0.1983174537	-0.0780878611	-0.0246536549	 0.158479
+C	-0.3922880594	 0.7348344531	-1.1619132381	-0.392293
+C	-0.9670035189	 2.0520489034	-0.6940529675	 0.439965
+C	-1.5465947957	 3.1491544991	-1.6262607924	-0.276588
+C	-1.4785301354	 3.9664856326	-0.2972023159	-0.074315
+C	-0.1608652109	 3.1856768045	-0.0003324622	-0.268781
+C	-2.4631713003	 3.1659453312	 0.561849893	-0.076094
+O	-2.0514441879	 1.8184608824	 0.2325023612	-0.318066
+H	-0.4730564353	-0.1936590586	 0.852187273	 0.098917
+H	 0.3776110701	 0.8894099485	-1.9219903078	 0.121261
+H	-1.2073654059	 0.144443985	-1.6042548382	 0.130974
+H	-0.8358009304	 3.500278637	-2.375983976	 0.104836
+H	-2.5259645479	 2.9547134297	-2.0709576719	 0.1005
+H	-1.5427058062	 5.0529098878	-0.2681900767	 0.077785
+H	 0.6848536613	 3.5371801177	-0.5932284894	 0.107717
+H	 0.1288197989	 3.0292829385	 1.0419141947	 0.103575
+H	-2.3499183643	 3.3414082279	 1.6378630415	 0.103358
+H	-3.5125645967	 3.3149890736	 0.2828552373	 0.103105
+19
+0 897	3.7362583	1.0682947	0.9996418	2.8917	75.32	-0.24618	-0.0276	0.21858	1225.7276	0.157005	-422.546857	-422.538744	-422.5378	-422.580475	30.493
+O	 0.1350291865	-1.095590407	-0.1346006488	-0.237801
+C	 0.3261380803	 0.071595146	 0.0890649778	 0.160284
+C	-0.3432924983	 0.8617869977	 1.1951624684	-0.393236
+C	-1.0893513715	 2.0776457269	 0.6722756192	 0.269214
+C	-0.4037623605	 3.2805257171	-0.0686155087	-0.274362
+C	-1.7564662922	 3.944448935	 0.282701111	 0.105862
+C	-1.7127169439	 3.1604837926	 1.6157395432	-0.279715
+O	-2.704626902	 3.2090590633	-0.5066663653	-0.276362
+C	-2.2843175634	 1.8488216578	-0.2718536517	-0.105156
+H	 1.0382167093	 0.663433882	-0.5318335983	 0.078818
+H	-1.0115094931	 0.1899264954	 1.7440258895	 0.12343
+H	 0.4452101518	 1.1967796509	 1.8841556556	 0.11938
+H	 0.4416031809	 3.6897665667	 0.4882657735	 0.101806
+H	-0.1625322173	 3.1745707475	-1.1290751045	 0.104921
+H	-1.9568626969	 5.0109696432	 0.202018843	 0.084612
+H	-0.9904834817	 3.5555779937	 2.3327978884	 0.101255
+H	-2.6672154455	 2.9381379537	 2.0990795766	 0.104185
+H	-3.0939543778	 1.2728327161	 0.1923818587	 0.105465
+H	-2.0070469849	 1.3688373414	-1.2183850276	 0.107397
+19
+0 898	3.7385908	1.0938329	1.0222227	3.2556	75.12	-0.24668	-0.02316	0.22352	1216.3997	0.156918	-422.555321	-422.547119	-422.546175	-422.589046	30.726
+O	 0.3972528031	-1.1329698526	 0.0287505219	-0.243123
+C	 0.4472464848	 0.0609219949	-0.1210402369	 0.156662
+C	-0.258981082	 0.8151964052	-1.2330649709	-0.392096
+C	-1.068105956	 1.9810940592	-0.7110280777	 0.40951
+C	-1.618257741	 3.1219789612	-1.6014804998	-0.280164
+C	-1.4379428768	 3.8484661662	-0.2517408206	 0.07996
+C	-2.5118152111	 3.2166493175	 0.6570277493	-0.215734
+C	-2.2254281684	 1.7270696109	 0.2890615017	-0.255823
+O	-0.2785198564	 2.9934896441	 0.0059800838	-0.334059
+H	 1.0403507806	 0.7058547314	 0.5623753096	 0.101845
+H	 0.5134180566	 1.2006239197	-1.9124941404	 0.12743
+H	-0.8928795113	 0.1167186632	-1.7872385075	 0.124428
+H	-0.886477236	 3.4451365523	-2.342855943	 0.109291
+H	-2.6182239521	 3.0292814451	-2.0335097063	 0.096136
+H	-1.2298733462	 4.9145434173	-0.1679955673	 0.082479
+H	-2.321202288	 3.4351261573	 1.709495772	 0.111801
+H	-3.5255800541	 3.5424804219	 0.409537396	 0.101638
+H	-1.8921947928	 1.1353690134	 1.1446964709	 0.115016
+H	-3.074686393	 1.2169626216	-0.1732495748	 0.104804
+19
+0 899	3.4102096	1.3117409	1.2282736	1.8332	74.99	-0.2742	0.00823	0.28243	1083.3414	0.158836	-422.582793	-422.575167	-422.574223	-422.615014	29.708
+O	 0.5615759704	 0.1025740377	 0.783347668	-0.305574
+C	 0.1978958458	-0.1166000265	-0.3397371876	 0.15315
+O	-0.601973245	 0.6555459119	-1.087715816	-0.27646
+C	-1.0791579303	 1.8695395345	-0.51585973	 0.474142
+C	-1.7033929529	 2.9017059621	-1.4779414625	-0.281952
+C	-1.4254871148	 3.8504322649	-0.2726488752	-0.029726
+C	-0.1409790115	 3.0036031076	-0.0254437609	-0.269195
+C	-2.3901317124	 3.2964801521	 0.7994636273	-0.211098
+C	-2.1214494833	 1.7668133088	 0.6138352563	-0.272829
+H	 0.4801281041	-1.0017741622	-0.9312959007	 0.107914
+H	-1.0609239622	 3.1073727814	-2.3362825156	 0.104613
+H	-2.7385495665	 2.74918216	-1.7957765313	 0.094154
+H	-1.3773286272	 4.9299926315	-0.4024325646	 0.069344
+H	 0.6523745348	 3.2221217303	-0.7433094828	 0.101587
+H	 0.2576314084	 2.9335001496	 0.9874406409	 0.111813
+H	-2.1365072922	 3.6452402197	 1.8041298047	 0.103282
+H	-3.4305707535	 3.567290447	 0.5998684295	 0.099564
+H	-1.7079401848	 1.2899792246	 1.5030258226	 0.126951
+H	-3.0070991468	 1.210211405	 0.2953131381	 0.100323
+19
+0 900	3.0933597	1.1143082	1.0493015	3.0602	75.15	-0.22994	-0.01844	0.2115	1227.3144	0.156461	-422.555738	-422.547174	-422.54623	-422.589787	31.508
+O	 1.5053734435	-0.2206223697	-0.0449503662	-0.245712
+C	 0.3985830458	 0.2415652381	 0.0656001345	 0.163014
+C	-0.4204652091	 0.7814618498	-1.0919769986	-0.369755
+C	-1.1419556027	 2.0586735724	-0.740193153	 0.44268
+C	-1.3982960229	 3.156947639	-1.7416276935	-0.367177
+C	-0.5094896083	 3.4089513956	-0.5315504895	-0.110853
+C	-1.1694284504	 3.9852571053	 0.70994388	-0.239432
+C	-2.4161922077	 3.0884475497	 0.8860666805	-0.097995
+O	-2.121916708	 1.8418679023	 0.2515537258	-0.299966
+H	-0.1099402569	 0.2993852513	 1.0520453687	 0.090146
+H	 0.2352960029	 0.915723083	-1.9555082722	 0.12361
+H	-1.1697558563	 0.020599204	-1.3550463358	 0.135748
+H	-0.905315723	 3.0767229012	-2.7045685229	 0.117247
+H	-2.382602882	 3.6119358231	-1.7829696973	 0.118565
+H	 0.5509941759	 3.5709789928	-0.6862209504	 0.099807
+H	-0.4900778734	 3.8868118798	 1.5631041792	 0.113194
+H	-1.4429806565	 5.0408370297	 0.6200737128	 0.109031
+H	-2.6635212614	 2.882867441	 1.9308891869	 0.114221
+H	-3.2962737195	 3.5472138514	 0.4159525711	 0.103629
+19
+0 901	3.1737376	1.0994253	0.9926557	2.6941	75.53	-0.25107	-0.02692	0.22415000000000002	1242.9886	0.156754	-422.556909	-422.54843	-422.547486	-422.590802	31.17
+O	 0.4853775623	-0.8811569827	 0.238086481	-0.238466
+C	 0.4436394834	 0.2936317641	-0.0187746939	 0.162186
+C	-0.317707516	 0.9018253128	-1.1822316796	-0.382261
+C	-1.1571587128	 2.0945777848	-0.7786794525	 0.314016
+C	-1.3959830596	 3.2466937669	-1.7241980425	-0.344209
+C	-0.591930547	 3.4674394403	-0.4681313795	-0.097769
+C	-1.3722831137	 3.9707562157	 0.7319782323	-0.092414
+O	-2.5642844658	 3.1892613099	 0.762815991	-0.252639
+C	-2.2608088408	 1.8960903778	 0.2554380177	-0.141568
+H	 0.9940826925	 1.0379551342	 0.603109778	 0.075431
+H	 0.4319708456	 1.2233996916	-1.9191648251	 0.122807
+H	-0.918709056	 0.1151247699	-1.6507805272	 0.125211
+H	-0.857308476	 3.2340324657	-2.6655957696	 0.111627
+H	-2.3938217537	 3.6713289129	-1.7749085502	 0.127732
+H	 0.469062391	 3.6795194368	-0.5341914339	 0.09093
+H	-0.7819511205	 3.8375863716	 1.6533817863	 0.094142
+H	-1.6766814649	 5.0204619263	 0.6658339132	 0.11271
+H	-1.9090206431	 1.2237706642	 1.0569204119	 0.098966
+H	-3.1873548949	 1.4796064674	-0.1543142475	 0.113567
+19
+0 902	3.1672756	1.1001258	0.9915832	2.1435	74.97	-0.23684	-0.02561	0.21123	1244.9722	0.156571	-422.55215	-422.543604	-422.54266	-422.586231	31.403
+O	 0.4422938016	-1.0201258014	 0.0080291431	-0.240238
+C	 0.4590280316	 0.1716835572	 0.1758653075	 0.161373
+C	-0.3018475883	 0.9060253107	 1.2633642886	-0.373123
+C	-1.122046244	 2.0585561957	 0.7200158208	 0.293727
+C	-1.3630296954	 3.3010295155	 1.5679207425	-0.387923
+C	-0.5405720344	 3.3867871972	 0.3065059318	 0.090044
+O	-1.141938785	 3.8526987306	-0.869365147	-0.255905
+C	-2.3608289141	 3.1297750635	-1.0541654399	-0.09353
+C	-2.1889674131	 1.773040042	-0.3348828602	-0.301572
+H	 1.0625285727	 0.8363135743	-0.4852207008	 0.080217
+H	-0.9193988257	 0.1816095847	 1.804987265	 0.121972
+H	 0.4448025093	 1.2962920969	 1.9697082746	 0.118071
+H	-2.3514512098	 3.7476047635	 1.5876323547	 0.119912
+H	-0.8300211884	 3.3620619858	 2.5112390446	 0.11387
+H	 0.5150977064	 3.6298344924	 0.3473262164	 0.1035
+H	-3.2011957399	 3.6940455712	-0.6274490352	 0.102936
+H	-2.5334031593	 3.0340970636	-2.1292185918	 0.116377
+H	-3.1339467945	 1.4139342386	 0.0842642803	 0.111111
+H	-1.8224890896	 1.0060594281	-1.0262519449	 0.119181
+19
+0 903	3.9612091	1.0102193	0.9074076	3.0145	75.42	-0.24885	-0.02455	0.2243	1309.1895	0.156446	-422.569141	-422.560573	-422.559629	-422.603231	31.456
+O	 0.4728833815	-1.0124716212	 0.1106707548	-0.24027
+C	 0.4582850448	 0.1791254755	-0.0588589779	 0.159777
+C	-0.2714370238	 0.8796108114	-1.1913435343	-0.374201
+C	-1.1322619529	 2.0156924498	-0.688508961	 0.400033
+C	-2.3747220135	 1.745149745	 0.1486541404	-0.277914
+C	-3.0700293527	 3.1239212944	 0.2516196786	-0.21494
+C	-2.6552597041	 3.8929135651	-1.0276258382	-0.241511
+C	-1.3060647557	 3.3020907517	-1.3789666265	-0.008681
+O	-0.41817096	 3.1911811324	-0.2532111956	-0.304057
+H	 1.0041582527	 0.8683573008	 0.6230288096	 0.096055
+H	 0.4920020865	 1.2902876693	-1.8649336446	 0.128734
+H	-0.862251381	 0.1393305319	-1.7390423233	 0.121921
+H	-3.0009373252	 1.0160013726	-0.3804594411	 0.107895
+H	-2.1397232261	 1.3186925453	 1.1292386678	 0.113834
+H	-4.1538658927	 3.0385105305	 0.3558254251	 0.101706
+H	-2.6949567638	 3.6535105346	 1.1294506109	 0.123025
+H	-3.3484918369	 3.7038451942	-1.8568078316	 0.105181
+H	-2.6165856376	 4.9754037863	-0.8728194203	 0.112693
+H	-0.8243516293	 3.5239483903	-2.3288027926	 0.090719
+19
+0 904	3.4438076	1.0733669	1.0183602	4.2263	75.6	-0.26992	0.0051	0.27502	1242.1196	0.157621	-422.579968	-422.571756	-422.570812	-422.612984	31.023
+O	 0.9731776068	-0.8989599758	 0.5493778555	-0.273977
+C	 0.4234336632	 0.1202505889	 0.2583979392	 0.150847
+O	-0.5166309524	 0.6881395555	 1.0441343042	-0.2377
+C	-1.1484802444	 1.8554393092	 0.5567282339	 0.43286
+C	-1.2301439135	 3.0057626668	 1.5094549894	-0.336188
+C	-0.4061075133	 3.1379595426	 0.2411044809	-0.102957
+C	-1.0702614278	 3.7680504658	-0.9747822945	-0.212766
+C	-2.4570428724	 3.0805928338	-1.0684057886	-0.228124
+C	-2.265565604	 1.6736867593	-0.4578554532	-0.267681
+H	 0.6267147644	 0.7055738618	-0.6574066392	 0.081087
+H	-2.1634267142	 3.548241376	 1.6173116577	 0.116164
+H	-0.6683938859	 2.8870834336	 2.4289257812	 0.130849
+H	 0.6702394684	 3.202698137	 0.3538879033	 0.098044
+H	-1.1559902658	 4.8571694828	-0.9027151118	 0.105814
+H	-0.4708064166	 3.5498590025	-1.8667554908	 0.104405
+H	-3.1943099332	 3.6424809738	-0.4871225105	 0.113022
+H	-2.8324223058	 3.0395517138	-2.0934731708	 0.107604
+H	-3.1832615362	 1.2731676587	-0.0162775985	 0.113071
+H	-1.9337927274	 0.9594462837	-1.2216071176	 0.105626
+19
+0 905	3.3394463	1.1348777	0.9853249	3.4439	75.69	-0.24395	-0.02304	0.22091	1236.8601	0.15583	-422.532809	-422.5241	-422.523156	-422.567474	31.425
+O	 0.2165368376	-1.0040366575	 0.2514800404	-0.241889
+C	 0.3744951844	 0.1493014817	-0.0591200739	 0.157605
+C	-0.2805190387	 0.8097725922	-1.2572132035	-0.367889
+C	-1.1366415911	 1.9908957246	-0.8333856464	 0.448872
+C	-2.4593660624	 1.7560979573	-0.0592537921	-0.271974
+C	-3.1694445937	 2.7953522204	-0.9832248262	-0.226828
+C	-1.8516260341	 3.0089628113	-1.7760884268	-0.146057
+C	-0.8936320578	 4.0357620156	-1.153953116	-0.083448
+O	-0.3477167678	 3.0535854605	-0.2401488969	-0.332523
+H	 1.0231545229	 0.825586543	 0.5378533122	 0.099004
+H	 0.5125595027	 1.175310434	-1.9231186311	 0.11963
+H	-0.8781922339	 0.0626451857	-1.7870789484	 0.118768
+H	-2.8528066988	 0.7409239116	-0.1571638293	 0.112469
+H	-2.3935329483	 2.0098363379	 1.0006268714	 0.114992
+H	-3.9708144209	 2.3619814038	-1.5851012416	 0.108797
+H	-3.5592044125	 3.689084923	-0.488755046	 0.105346
+H	-1.881531413	 2.9286146409	-2.8622748782	 0.078711
+H	-0.1202632952	 4.4175130335	-1.8326611747	 0.103124
+H	-1.3549215596	 4.8814033903	-0.628622323	 0.103289
+19
+0 906	3.3391197	1.1071474	0.963653	1.0189	75.51	-0.24791	-0.02939	0.21852	1246.555	0.155906	-422.528565	-422.51987	-422.518926	-422.56323	31.285
+O	 0.0176887569	-0.9814920049	 0.3472814991	-0.236666
+C	 0.3221268147	 0.1358253363	 0.0180638266	 0.163867
+C	-0.2420786986	 0.8658223752	-1.1827609581	-0.393044
+C	-1.0666123525	 2.0705585245	-0.7491296825	 0.296995
+C	-2.4334511849	 1.8123955159	-0.0411475037	-0.290756
+C	-3.1475026236	 2.7473366922	-1.0671361194	-0.229288
+C	-1.7847299327	 3.0607126433	-1.7193456584	 0.063352
+O	-1.1201075873	 4.189699712	-1.1165276889	-0.289904
+C	-0.3477602588	 3.3389411475	-0.2421323609	-0.125221
+H	 1.0510105778	 0.7284405097	 0.6195106705	 0.07715
+H	 0.5949952354	 1.2022706359	-1.8102240007	 0.11778
+H	-0.8501686218	 0.1609026743	-1.7580423634	 0.121704
+H	-2.7551451367	 0.7699127756	-0.0956988095	 0.118864
+H	-2.4762368028	 2.1267733783	 1.0049299367	 0.106656
+H	-3.8343317226	 2.2149271147	-1.7305028696	 0.106053
+H	-3.6528877344	 3.6263075257	-0.6624745673	 0.115637
+H	-1.6963505302	 3.0593725317	-2.8097980467	 0.075544
+H	 0.722848667	 3.3862228345	-0.4866824552	 0.096848
+H	-0.481381335	 3.5932390477	 0.8169170114	 0.10443
+19
+0 907	3.0824053	1.3388722	1.178948	1.9189	75.07	-0.26878	0.00893	0.27771	1112.5488	0.156973	-422.55838	-422.550013	-422.549069	-422.592255	30.919
+O	 0.1651851067	 0.1395026428	 1.0241920773	-0.309649
+C	 0.0756645863	-0.1263303832	-0.1438392676	 0.150356
+O	-0.4969550127	 0.6354326005	-1.0852647461	-0.264149
+C	-1.0482196103	 1.8767905039	-0.6355578179	 0.482238
+C	-2.3495243128	 1.7995918905	 0.1929124027	-0.275875
+C	-3.0357947157	 2.7758509524	-0.8144199633	-0.228091
+C	-1.7361135901	 2.8292326638	-1.6650333117	-0.093718
+C	-0.7428914475	 3.9530750698	-1.2577782158	-0.228069
+C	-0.0427344883	 2.9849276318	-0.2521754234	-0.275852
+H	 0.4585509172	-1.0457964658	-0.6142995443	 0.107529
+H	-2.7853252291	 0.7984582987	 0.1775539995	 0.111465
+H	-2.2649161126	 2.1253661413	 1.2314164491	 0.11123
+H	-3.8870462219	 2.3321025262	-1.3351796262	 0.106486
+H	-3.3513031149	 3.7378256265	-0.4022613098	 0.10147
+H	-1.818838037	 2.5909036638	-2.7251349998	 0.073984
+H	-0.0892591663	 4.2805736698	-2.0691073789	 0.106472
+H	-1.2100792216	 4.8377275003	-0.8173910334	 0.101452
+H	 0.9776016458	 2.7314284404	-0.5472466511	 0.11151
+H	-0.0384415154	 3.2706643066	 0.8014505108	 0.111211
+19
+0 908	3.5440429	0.9867217	0.8491098	3.3775	79.69	-0.24056	-0.03224	0.20832	1372.2798	0.156786	-422.570036	-422.56121	-422.560266	-422.604888	31.683
+O	 0.1061897647	-0.911637984	 0.7309981025	-0.23327
+C	 0.3149449882	 0.00814026	-0.0161836978	 0.157786
+C	 0.4018895908	 1.4671634847	 0.4102355474	-0.365093
+C	-0.879180023	 2.171162882	 0.0223157714	 0.263728
+C	-0.9925362449	 2.9562026677	-1.0505055869	-0.15981
+C	-2.2837315514	 3.6456005434	-1.4023257216	-0.250928
+C	-3.2387018472	 3.6096199228	-0.2068747148	-0.080203
+O	-3.3025879973	 2.3086184464	 0.351761372	-0.24154
+C	-2.0725141186	 1.9036121621	 0.9126876118	-0.154932
+H	 0.4163040571	-0.1486325544	-1.1140698252	 0.082693
+H	 0.5619801056	 1.4980711608	 1.4933529298	 0.124115
+H	 1.2543407091	 1.9335288418	-0.0955646339	 0.117239
+H	-0.1335447795	 3.124402766	-1.696642183	 0.083918
+H	-2.0948438701	 4.6861449135	-1.6955364112	 0.105583
+H	-2.7470555787	 3.1600672865	-2.2722761127	 0.119302
+H	-2.9087142176	 4.3357921013	 0.5547027383	 0.089729
+H	-4.2595767268	 3.868156025	-0.5004431267	 0.109189
+H	-1.9093587164	 2.3939548631	 1.8915117047	 0.09711
+H	-2.1620390542	 0.8295791114	 1.1134458459	 0.135383
+19
+0 909	3.5615084	0.9837236	0.8503348	2.006	79.54	-0.23917	-0.03307	0.2061	1362.7911	0.156817	-422.57053	-422.561736	-422.560792	-422.605155	31.644
+O	-0.1217133129	-0.9564523114	 0.6618097864	-0.234917
+C	 0.1647897042	-0.0659140287	-0.0959803542	 0.155021
+C	 0.4181240304	 1.3748649464	 0.3201655668	-0.363236
+C	-0.845022464	 2.1730254748	 0.0713897371	 0.290623
+C	-0.9914769578	 2.9877058995	-0.9749526866	-0.1733
+C	-2.2493667785	 3.7765434528	-1.217956648	-0.113475
+O	-3.1508307784	 3.7542591467	-0.1309873955	-0.245235
+C	-3.2982713218	 2.4585074055	 0.4257747591	-0.08617
+C	-1.9855693599	 1.9732828305	 1.0430941678	-0.298007
+H	 0.2096167168	-0.2361865917	-1.1958711849	 0.081194
+H	 0.6850610855	 1.3857387298	 1.3819761738	 0.124738
+H	 1.2466970042	 1.7789505677	-0.2709213263	 0.11351
+H	-0.1915240755	 3.119156347	-1.7002799939	 0.087255
+H	-2.0083422224	 4.8323326126	-1.391817375	 0.119771
+H	-2.7410536373	 3.4099666107	-2.1393075576	 0.098223
+H	-4.0879593233	 2.5368615324	 1.1776777234	 0.110376
+H	-3.6328994243	 1.7456241183	-0.3459332196	 0.091133
+H	-1.7796089041	 2.5202822959	 1.9732855908	 0.117578
+H	-2.0668500909	 0.9147405111	 1.3199758665	 0.124918
+19
+0 910	3.8879323	0.9762905	0.9516489	2.8801	75.86	-0.24865	-0.02029	0.22836	1290.2409	0.15755	-422.54492	-422.5369	-422.535956	-422.578634	29.946
+O	 0.1380623792	-1.3576733636	-0.0556642945	-0.241023
+C	 0.3467274696	-0.1733559134	 0.0056110386	 0.158668
+C	-0.0602262062	 0.7219359317	 1.1536526726	-0.322107
+C	-0.9003617981	 1.9036386345	 0.6703631476	 0.00693
+C	-1.4755727882	 2.961796934	 1.6788643021	-0.093622
+C	-1.5163023905	 3.9390393471	 0.4611132879	-0.239337
+C	-0.206694256	 3.1895316835	 0.1299673677	 0.094245
+O	 0.678240489	 3.5642686664	 1.2000642894	-0.277745
+C	-0.1900176441	 3.4499947402	 2.3545693651	-0.08499
+H	 0.8721265553	 0.3561808997	-0.8238380768	 0.073887
+H	-0.5974589483	 0.1169506876	 1.8907108333	 0.118369
+H	 0.8601626185	 1.1050551252	 1.6129478005	 0.136709
+H	-1.6944610894	 1.5729330075	-0.0047083074	 0.087413
+H	-2.339645311	 2.7587560222	 2.3101292148	 0.077781
+H	-2.3311409046	 3.7256458968	-0.2317358293	 0.106882
+H	-1.4365712707	 5.0102419189	 0.6584142147	 0.104155
+H	 0.3211995053	 3.2563707557	-0.8200067603	 0.083982
+H	 0.2340358351	 2.7430497025	 3.0761666846	 0.104203
+H	-0.302248155	 4.4258974034	 2.8401955693	 0.105601
+19
+0 911	3.4633983	1.0608989	1.0307189	1.9767	74.95	-0.24946	-0.02691	0.22255	1227.0981	0.157547	-422.548308	-422.540239	-422.539295	-422.58232	30.057
+O	 1.3738650174	-0.4201712358	-0.255116028	-0.236671
+C	 0.2208194873	-0.1315294034	-0.0648372438	 0.163291
+C	-0.2878709633	 0.6520002595	 1.1258154986	-0.328553
+C	-0.9441788489	 1.9586182762	 0.6778209382	 0.014735
+C	-1.419884867	 3.0499905166	 1.6723695728	 0.047442
+C	-0.17647589	 3.3824398217	 2.5237355869	-0.220216
+C	 0.8444065867	 3.5021134069	 1.3468297137	-0.223256
+C	-0.1423671876	 3.2006097855	 0.2003837925	 0.064432
+O	-1.2987911752	 4.0119991171	 0.5793191422	-0.296939
+H	-0.570327979	-0.4217088717	-0.7957797811	 0.075331
+H	-1.0457352431	 0.0385673179	 1.634033125	 0.120627
+H	 0.5443443073	 0.8096204896	 1.8149039954	 0.124867
+H	-1.7486216931	 1.7683903327	-0.0378040756	 0.092487
+H	-2.4008615109	 3.0328050458	 2.1477933506	 0.079949
+H	-0.3143456985	 4.3236253508	 3.0589201815	 0.11211
+H	 0.0740123883	 2.6050731138	 3.2505795629	 0.101114
+H	 1.2570172911	 4.5076647386	 1.2487482282	 0.112442
+H	 1.6727439271	 2.7912015149	 1.4016893821	 0.111965
+H	 0.1833025812	 3.3411068334	-0.8300848123	 0.084845
+19
+0 912	3.446401	1.2221312	1.1571467	2.0105	75.44	-0.27849	0.00859	0.28708	1133.0979	0.159153	-422.582515	-422.574832	-422.573887	-422.61567	29.258
+O	 0.4203816333	 0.0275258423	-0.9808881434	-0.303177
+C	 0.0951035548	-0.3191299039	 0.1211279275	 0.168513
+O	-0.6413643063	 0.3872262182	 0.9910127179	-0.229284
+C	-1.0617805771	 1.6905662823	 0.5635854146	 0.187217
+C	-1.762288877	 2.5475117147	 1.6371782074	-0.076986
+C	-2.4127455123	 3.274165598	 0.4195551208	-0.235092
+C	-2.4033285856	 1.8429829288	-0.1980925808	-0.061616
+C	-3.3920625109	 1.0943100542	 0.7169987935	-0.209913
+C	-2.9075544181	 1.6274309473	 2.1070954751	-0.207502
+H	 0.3618013353	-1.281551907	 0.5856866538	 0.107502
+H	-0.2326092176	 2.1897200902	 0.0626663679	 0.105983
+H	-1.1946047106	 3.0831570073	 2.3976115296	 0.066623
+H	-3.3861320264	 3.7434407337	 0.5800918234	 0.099073
+H	-1.735684419	 3.9674072245	-0.083729107	 0.104745
+H	-2.464980612	 1.6728323989	-1.2717264469	 0.076591
+H	-4.4286273628	 1.3627748128	 0.4968069617	 0.097971
+H	-3.2976541093	 0.009263886	 0.631763384	 0.103502
+H	-3.6808436669	 2.1866049565	 2.640439068	 0.09663
+H	-2.5524883614	 0.8267665751	 2.7590858828	 0.10922
+19
+0 913	4.3665993	0.8292402	0.7737727	3.1321	76.24	-0.23699	-0.02213	0.21486	1483.6525	0.15679	-422.550046	-422.541469	-422.540524	-422.584335	31.07
+O	 1.3938663779	-0.5461575091	 0.1101294442	-0.238064
+C	 0.2987209096	-0.0475325843	 0.0834485051	 0.164713
+C	-0.2629009433	 0.7428961996	-1.0825483192	-0.314751
+C	-0.8629029335	 2.0624519403	-0.6360757889	-0.080451
+C	-1.9272843093	 2.7208775381	-1.5037647548	-0.098565
+C	-2.1556693045	 4.2137808575	-1.3233183157	-0.251363
+C	-2.290123195	 4.3655219343	 0.2103723398	-0.090973
+O	-2.7112073691	 3.0967442485	 0.7182488887	-0.256771
+C	-2.3081121872	 2.1080091454	-0.1872118174	 0.11299
+H	-0.3955456829	-0.1366504151	 0.9508259663	 0.07959
+H	 0.5295799249	 0.8771152735	-1.8257608728	 0.123515
+H	-1.048028255	 0.1263964348	-1.5456449933	 0.117459
+H	-0.1685792868	 2.7228568805	-0.1221186262	 0.098251
+H	-2.1859149617	 2.2596901587	-2.4501785525	 0.09145
+H	-1.3506031105	 4.8394103595	-1.720013771	 0.109623
+H	-3.0835616325	 4.4990941307	-1.8295455373	 0.113437
+H	-1.3275596535	 4.6473152594	 0.6583738945	 0.104139
+H	-3.0310287662	 5.1103897226	 0.5126413081	 0.113961
+H	-2.8858161814	 1.1963354151	-0.0822404576	 0.101809
+19
+0 914	4.3269014	0.8636584	0.7949554	2.0357	76.26	-0.24817	-0.022	0.22617	1440.7101	0.157013	-422.555191	-422.546682	-422.545737	-422.58957	30.785
+O	 0.2307408918	-1.2403343461	-0.0404182404	-0.23774
+C	 0.4280362752	-0.0575945543	 0.0627964881	 0.169353
+C	-0.1263116635	 0.8213627718	 1.1654697697	-0.32141
+C	-0.8526224852	 2.0301375393	 0.6026814926	-0.022751
+C	-1.9414658981	 2.6876832402	 1.4128720512	-0.085121
+C	-2.2509934716	 4.1328439212	 1.0634656868	-0.099815
+O	-2.3073704758	 4.1785264028	-0.3599054192	-0.253585
+C	-2.7908368024	 2.9217264799	-0.8293202789	-0.100554
+C	-2.2942105234	 1.8949370626	 0.1731449558	-0.064477
+H	 1.0537580535	 0.4861355704	-0.683963439	 0.072764
+H	-0.7803795322	 0.2113647694	 1.7958109059	 0.119308
+H	 0.7208210178	 1.155660926	 1.7828382246	 0.122146
+H	-0.2369697202	 2.697652007	 0.0025293819	 0.100605
+H	-2.1661185873	 2.3230005267	 2.4085511886	 0.091694
+H	-3.2127623104	 4.4292736427	 1.5131431706	 0.094422
+H	-1.4866531492	 4.8511525893	 1.3782022879	 0.109783
+H	-3.8920741806	 2.9059521743	-0.8703967877	 0.094644
+H	-2.4055590594	 2.7885373797	-1.8456281669	 0.111482
+H	-2.7839540793	 0.9296717571	 0.2316000384	 0.09925
+19
+0 915	3.7146827	1.0127271	0.9235638	2.1509	76.22	-0.26549	0.0097	0.27519	1313.2353	0.158234	-422.581355	-422.573165	-422.572221	-422.615372	30.379
+O	 0.6928038855	 0.0776675766	-0.9246802392	-0.299816
+C	 0.3250913558	-0.2046077314	 0.1815012836	 0.171398
+O	-0.4820691802	 0.5283128173	 0.9652335446	-0.220007
+C	-0.9511960849	 1.7530414833	 0.4129325326	 0.124166
+C	-1.9379138389	 2.4670321429	 1.2833074338	-0.087142
+C	-2.0832859697	 3.9702423548	 1.0904487369	-0.219608
+C	-2.1904864563	 4.1653910684	-0.4420289729	-0.225689
+C	-2.8217287615	 2.8592465564	-0.9850426628	-0.217117
+C	-2.3969471444	 1.7821837512	 0.0027031537	-0.071185
+H	 0.6084997466	-1.114802699	 0.7324420788	 0.108869
+H	-0.1918410785	 2.2732721033	-0.1592416847	 0.119806
+H	-2.1420134336	 2.0264352927	 2.2526108108	 0.094698
+H	-3.0034223349	 4.3008589245	 1.5863157721	 0.103914
+H	-1.2582154912	 4.545429646	 1.523787642	 0.102022
+H	-2.7703946582	 5.0520549825	-0.7098046298	 0.100841
+H	-1.1927765574	 4.3031684921	-0.8709940738	 0.111477
+H	-3.9158094945	 2.9296967405	-0.9825207698	 0.10306
+H	-2.512279037	 2.6479887395	-2.0137280979	 0.10841
+H	-2.9347450469	 0.8416317982	 0.0396068921	 0.091904
+19
+0 916	4.4583991	0.7063621	0.6680599	2.7718	77.87	-0.24918	-0.0311	0.21808000000000002	1654.3329	0.154763	-422.562891	-422.553382	-422.552437	-422.599107	32.824
+O	 1.5483022188	 0.1704669087	 0.4428118406	-0.237299
+C	 0.3597163045	 0.2554443319	 0.2686839335	 0.159359
+C	-0.2941267142	 0.7794726242	-0.9904816417	-0.299221
+C	-1.1738541942	 2.0017239062	-0.7101105753	 0.03239
+C	-2.0170956373	 2.5740324323	-1.8837316928	-0.268042
+C	-3.1958594222	 2.7895056478	-0.8673840344	-0.071814
+C	-2.4834463189	 1.8298724705	 0.1127249102	-0.254315
+C	-4.5575551527	 2.4082939743	-1.3768131373	 0.138728
+O	-5.1240339637	 1.3772837715	-1.1119216308	-0.242507
+H	-0.3560711782	-0.050703478	 1.0666754728	 0.078477
+H	 0.4907886468	 1.0141651159	-1.7164081902	 0.121184
+H	-0.9222207229	-0.0223024445	-1.4050656052	 0.117369
+H	-0.5600005965	 2.7989233905	-0.2770063326	 0.089267
+H	-1.6334291549	 3.4527715238	-2.4052070789	 0.114153
+H	-2.2602510981	 1.8022120869	-2.6207246704	 0.116252
+H	-3.216702432	 3.8290266357	-0.5232046425	 0.092815
+H	-2.4632198982	 2.1129559608	 1.1666708607	 0.110062
+H	-2.9081499444	 0.8257813204	 0.024091868	 0.125903
+H	-5.0166085017	 3.1475013912	-2.0735539938	 0.077241
+19
+0 917	2.9187029	1.04722	0.8949376	3.5916	76.78	-0.23645	-0.0166	0.21985	1341.0045	0.155195	-422.525025	-422.515907	-422.514963	-422.560273	32.367
+O	 0.3181704251	-1.1793218538	 0.0593575609	-0.24109
+C	 0.4431661652	-0.0089744773	-0.1947106408	 0.160597
+C	-0.279721572	 0.7212234817	-1.3079072885	-0.292478
+C	-1.0593564231	 1.9086661772	-0.770352095	-0.107828
+C	-1.3157922293	 3.1166112756	-1.6694482284	-0.376287
+C	-0.3524506729	 3.2087950106	-0.5342859801	 0.4665
+C	-0.3299149164	 4.1214285241	 0.6863739208	-0.361299
+C	 1.187175834	 4.1921302037	 0.4057557296	-0.071074
+O	 1.0564646673	 3.3307805633	-0.7532777006	-0.307512
+H	 1.1240655033	 0.6422951522	 0.3991558704	 0.079194
+H	 0.4875826051	 1.0869551166	-2.002582126	 0.131743
+H	-0.9253216493	 0.0152903495	-1.838501403	 0.118633
+H	-1.8506062342	 1.6568444712	-0.0676090045	 0.097108
+H	-0.8969858414	 3.0854857748	-2.6703968909	 0.125768
+H	-2.2684351393	 3.630676441	-1.5900052422	 0.117555
+H	-0.8678637749	 5.0642634437	 0.5708789528	 0.118422
+H	-0.6146516703	 3.6536416789	 1.6307658241	 0.118026
+H	 1.5777485875	 5.1774578197	 0.1307471486	 0.112344
+H	 1.8338957655	 3.7461787875	 1.1689638726	 0.111677
+19
+0 918	4.6597045	0.7762813	0.74297	1.7753	77.	-0.24736	-0.02469	0.22267	1529.5253	0.15511	-422.51959	-422.510417	-422.509473	-422.555032	32.211
+O	 1.4194024136	-0.4969139117	-0.0585291781	-0.235613
+C	 0.2783429623	-0.1191981425	-0.0043300733	 0.171848
+C	-0.303234937	 0.7229071863	 1.1131075831	-0.30644
+C	-0.9562472546	 1.9847940692	 0.5753413623	-0.083036
+C	-0.1147794753	 3.2090030328	 0.2749924065	-0.34999
+C	-1.0674165992	 3.2118979912	 1.4299516881	 0.27941
+C	-2.2879574069	 4.0954389173	 1.6696470536	-0.13585
+O	-1.9711791168	 4.1858616443	 3.0756758852	-0.27425
+C	-0.7844582314	 3.3773274154	 2.9208562689	-0.135513
+H	-0.4482084695	-0.3720130728	-0.8123699739	 0.072201
+H	-1.05324179	 0.1125025182	 1.6377588487	 0.123371
+H	 0.4987013275	 0.9524359012	 1.8211138117	 0.1226
+H	-1.7925612327	 1.8065614197	-0.0982214834	 0.093298
+H	 0.9480322585	 3.156278327	 0.493900967	 0.125551
+H	-0.3615067859	 3.805343396	-0.5978051409	 0.118933
+H	-2.2687351026	 5.0784700006	 1.1801719303	 0.103887
+H	-3.2661837485	 3.626939693	 1.4968801641	 0.101492
+H	 0.1275779871	 3.9329813381	 3.1755764793	 0.105206
+H	-0.8284710587	 2.4640061966	 3.529226531	 0.102895
+19
+0 919	4.9044663	0.7763415	0.7417628	3.3028	77.58	-0.2493	-0.02489	0.22441	1550.0982	0.154834	-422.533776	-422.524648	-422.523704	-422.568966	32.534
+O	 0.3117166858	-1.243755254	 0.0585164112	-0.237249
+C	 0.3895665318	-0.0518003576	 0.2071360154	 0.160267
+C	-0.379555469	 0.736866822	 1.2515829913	-0.306433
+C	-1.1061423681	 1.9133634256	 0.6362079339	-0.069629
+O	-0.2785053711	 3.0020879425	 0.1846831818	-0.291411
+C	-1.1637621944	 3.2376755558	 1.266025943	 0.456515
+C	-2.310840015	 4.2501017976	 1.2501430652	-0.313558
+C	-2.1300292325	 4.3804548956	 2.7931704039	-0.212185
+C	-0.7527157607	 3.6577612753	 2.680292961	-0.311093
+H	 1.0537123867	 0.5704917269	-0.4319604603	 0.097017
+H	-1.0751636437	 0.0621853179	 1.7601548394	 0.123262
+H	 0.3466260325	 1.1130648458	 1.9835856775	 0.127167
+H	-1.9033855889	 1.650898374	-0.0619744842	 0.102932
+H	-2.0231098565	 5.1617786633	 0.7183592099	 0.119252
+H	-3.2793386996	 3.9124328696	 0.8738563788	 0.108222
+H	-2.1169687824	 5.3927214952	 3.1991479648	 0.109386
+H	-2.8620483929	 3.7893545966	 3.3476376065	 0.111093
+H	 0.0874357752	 4.3578059754	 2.6573652902	 0.119222
+H	-0.5328260071	 2.8687896326	 3.4040322009	 0.107223
+19
+0 920	3.7828199	0.9290568	0.8858666	2.2055	78.08	-0.26397	0.0086	0.27257	1378.5056	0.156151	-422.547058	-422.538213	-422.537269	-422.582687	31.912
+O	 0.9755994184	 0.3577422997	-0.5270573482	-0.300297
+C	 0.2421852058	-0.1301884526	 0.2868477761	 0.183837
+O	-0.8547919745	 0.4339137975	 0.8171224392	-0.212209
+C	-1.1920473187	 1.7389958245	 0.365242116	 0.071049
+C	-2.521665628	 1.9051297603	-0.3170053897	-0.38682
+C	-2.314249936	 2.40266624	 1.0904802138	 0.3146
+C	-2.2925804796	 3.8391507516	 1.6307446926	-0.295185
+C	-2.5998866268	 3.2597555211	 3.0440419532	-0.20053
+C	-2.9410638459	 1.8856813715	 2.3928514995	-0.286113
+H	 0.3670552987	-1.1274633825	 0.7361897819	 0.10977
+H	-0.3331733871	 2.3055276685	 0.0265467252	 0.127749
+H	-2.5897047014	 2.620579413	-1.1307870269	 0.120315
+H	-3.122764868	 1.0099232958	-0.442459175	 0.12259
+H	-1.361118834	 4.3996191966	 1.5126056124	 0.102107
+H	-3.1147415565	 4.4439982911	 1.2354588514	 0.104523
+H	-1.7093019276	 3.2092882195	 3.6748503599	 0.108035
+H	-3.3977158853	 3.7461906613	 3.608492001	 0.100869
+H	-2.4788479873	 0.9988316218	 2.8311389436	 0.112248
+H	-4.0177948963	 1.7135593912	 2.3027203642	 0.103462
+19
+0 921	5.7466451	0.6418106	0.61018	2.2984	78.12	-0.24773	-0.02213	0.2256	1782.4316	0.154692	-422.524266	-422.514852	-422.513908	-422.560229	32.897
+O	 1.2743087179	-0.6897609944	 0.2145022714	-0.236479
+C	 0.1723080154	-0.2075125705	 0.1798360051	 0.169027
+C	-0.3788857147	 0.7713270708	 1.1964140281	-0.3071
+C	-0.9158535769	 2.0265658995	 0.5319325248	-0.017908
+C	 0.0101176918	 3.162198669	 0.1778003395	-0.295986
+C	-0.9874167844	 3.3233368221	 1.303329029	-0.040722
+C	-2.1606630406	 4.2257018351	 1.1321616541	 0.088374
+C	-2.4188644849	 5.3595901379	 2.0286067848	-0.186809
+O	-3.1816670313	 4.1555466072	 2.1331105813	-0.238835
+H	-0.5379513933	-0.4610552977	-0.6427088979	 0.071064
+H	-1.1922828244	 0.267674015	 1.7393315674	 0.127784
+H	 0.412516657	 1.0038091927	 1.9151600067	 0.120454
+H	-1.7352260393	 1.8518169404	-0.1619949223	 0.094279
+H	 1.0580539301	 3.0714914736	 0.4426246964	 0.125682
+H	-0.1692592261	 3.7025335361	-0.7459090316	 0.117097
+H	-0.5902124041	 3.3025017707	 2.3143828606	 0.0925
+H	-2.5459085114	 4.2900957781	 0.1118933893	 0.088674
+H	-1.7360143393	 5.5530531535	 2.8553479695	 0.113318
+H	-2.9614849915	 6.230732821	 1.6635964139	 0.115586
+19
+0 922	6.4961329	0.6279213	0.6007296	3.3096	78.49	-0.2478	-0.02547	0.22233	1828.227	0.154679	-422.527258	-422.517845	-422.516901	-422.563002	33.036
+O	 0.3569424908	-1.1833603674	-0.1656417763	-0.237134
+C	 0.4607504474	-0.0136358769	 0.0991437044	 0.160021
+C	-0.3288971157	 0.696145508	 1.183736096	-0.3124
+C	-0.9983438171	 1.9482775703	 0.6554611915	 0.029703
+O	-0.1303473736	 3.0503632805	 0.3599851732	-0.263557
+C	-1.0757004404	 3.1944452842	 1.4309488893	 0.067558
+C	-2.162015676	 4.1949089652	 1.2468692191	-0.011574
+C	-3.0522701677	 4.5444450043	 2.417343353	-0.27061
+C	-2.0528741439	 5.5480467276	 1.9095320946	-0.264754
+H	 1.1668513894	 0.6452923453	-0.4525407232	 0.096665
+H	-1.0612025258	-0.0016836105	 1.600887964	 0.125232
+H	 0.3767653532	 0.9828229523	 1.9746843649	 0.126032
+H	-1.7671463684	 1.7783446345	-0.1006727229	 0.10133
+H	-0.6183511323	 3.1908257187	 2.4237150735	 0.086547
+H	-2.6255499921	 4.1689340497	 0.2654659063	 0.092461
+H	-4.1049737591	 4.7116282776	 2.2208176487	 0.119974
+H	-2.8509839269	 4.0628353038	 3.3688331782	 0.11572
+H	-2.4155512775	 6.4103711713	 1.3621489791	 0.120367
+H	-1.1744390044	 5.7428846716	 2.5158331767	 0.11842
+19
+0 923	4.5578119	0.7377811	0.7012703	2.1212	78.51	-0.2594	0.00905	0.26845	1634.5336	0.155768	-422.544901	-422.535785	-422.534841	-422.580609	32.603
+O	 0.7661017695	 0.1753718836	-0.7684355093	-0.300229
+C	 0.185123186	-0.2010603965	 0.2109312353	 0.180105
+O	-0.7837367731	 0.4570130579	 0.868141356	-0.21432
+C	-1.165286498	 1.7202739678	 0.3387894977	 0.120837
+C	-2.5490804879	 1.8448220871	-0.2278199896	-0.323913
+C	-2.2042294011	 2.4591441946	 1.1196437519	-0.053659
+C	-2.112827928	 3.9400801338	 1.3037815995	 0.016596
+C	-1.7871265328	 4.522424865	 2.6576700923	-0.269444
+C	-3.1740232658	 4.6773696998	 2.0834993797	-0.268929
+H	 0.3706343695	-1.1524951249	 0.7328944156	 0.109789
+H	-0.3447264851	 2.2510378038	-0.1278127922	 0.12748
+H	-2.6877944292	 2.4986704396	-1.0825224119	 0.121731
+H	-3.1665986229	 0.9539007219	-0.2278655318	 0.123096
+H	-2.5906776534	 1.9152086209	 1.9781147969	 0.095321
+H	-1.7016180913	 4.4686203915	 0.4472133629	 0.081576
+H	-1.6550204722	 3.8325800919	 3.4847211038	 0.114227
+H	-1.1451506775	 5.3950927173	 2.7025933138	 0.114022
+H	-3.973394502	 4.0905351972	 2.5239971594	 0.112687
+H	-3.4835274848	 5.6564075775	 1.7350996699	 0.113026
+19
+0 924	3.8187493	0.6678889	0.6034359	1.9808	77.71	-0.24974	-0.02713	0.22260999999999997	1788.4901	0.153535	-422.559095	-422.549045	-422.548101	-422.596566	34.036
+O	 1.4038826877	 0.0985198492	 0.0987799598	-0.235582
+C	 0.2082562638	 0.0761064442	 0.2340530472	 0.16665
+C	-0.7277071246	 1.2076259295	-0.1375684785	-0.301749
+C	-1.5802654612	 1.6354609988	 1.0452183887	-0.029308
+C	-2.1323353232	 3.0377748728	 1.1223690022	-0.297231
+C	-1.0338497993	 2.604571572	 2.0651634085	-0.001484
+C	-1.323422764	 2.4174438811	 3.5442820101	-0.308826
+C	-1.2669216053	 3.7328705636	 4.2948231787	 0.16949
+O	-2.1437174235	 4.1610606105	 4.9989574969	-0.235674
+H	-0.3018037917	-0.8155964049	 0.6699248367	 0.071875
+H	-0.1297292743	 2.038955264	-0.5225757653	 0.12032
+H	-1.3794928985	 0.853967207	-0.950020509	 0.12328
+H	-2.2250089268	 0.8529584972	 1.4389443727	 0.093594
+H	-1.8815644397	 3.7293879411	 0.3252708861	 0.119325
+H	-3.1290471997	 3.169883967	 1.5302364679	 0.126458
+H	-0.0439643254	 2.9993967437	 1.8481127821	 0.100331
+H	-2.3088499964	 1.9710888024	 3.7082026949	 0.119853
+H	-0.5698990465	 1.748589131	 3.9861888719	 0.125243
+H	-0.3223181214	 4.3066199597	 4.1425353685	 0.073434
+19
+0 925	5.0508798	0.7881399	0.7513101	3.4974	77.32	-0.23647	-0.02275	0.21372000000000002	1529.5437	0.154782	-422.527712	-422.518634	-422.517689	-422.562963	32.665
+O	 0.2274574226	-1.2079943552	 0.2166049359	-0.239802
+C	 0.3815129208	-0.0453926591	-0.0591954153	 0.154276
+C	-0.3098121217	 0.6612378942	-1.2077860455	-0.293288
+C	-1.040107	 1.9203844294	-0.747371753	 0.13138
+C	-1.5112242287	 2.9125293872	-1.8354461044	-0.388614
+C	-0.5602164776	 3.8827997882	-1.143586171	 0.468519
+C	 0.3758122248	 4.8990011019	-1.7035061383	-0.331639
+C	-0.7529169302	 5.3125332052	-0.7646321259	-0.33192
+O	-0.1292673034	 2.9043855521	-0.1912617136	-0.320697
+H	 1.0618717835	 0.6043288272	 0.5323609895	 0.098171
+H	 0.4579782473	 0.9555873316	-1.9364404175	 0.121939
+H	-1.0039400651	-0.0364831368	-1.6867749394	 0.120886
+H	-1.8159633781	 1.6629757888	-0.0153579231	 0.09249
+H	-1.2332006091	 2.635006892	-2.8550525975	 0.113722
+H	-2.569171559	 3.1785875997	-1.8049043839	 0.117651
+H	 1.3841891437	 4.9131513664	-1.303682791	 0.126796
+H	 0.299782003	 5.153252724	-2.7560357301	 0.116248
+H	-0.4794123886	 5.5954801662	 0.2461493495	 0.127855
+H	-1.602165074	 5.8498686072	-1.1747004754	 0.116026
+19
+0 926	5.7440072	0.7078924	0.6813568	1.6737	77.25	-0.25131	-0.02522	0.22608999999999999	1625.1259	0.154976	-422.530092	-422.521076	-422.520132	-422.565111	32.413
+O	 1.5441638851	-0.0857502229	 0.2534486027	-0.237367
+C	 0.363725106	 0.045196044	 0.0550329504	 0.160901
+C	-0.2398935416	 0.7843308424	-1.1187164057	-0.298046
+C	-1.1370167004	 1.9400563489	-0.668759224	 0.024856
+C	-1.9444713681	 2.7010878076	-1.7664241124	-0.34097
+C	-3.1328122029	 2.6955345133	-0.8027728595	 0.469263
+C	-3.9822601157	 3.8122039354	-0.3871076183	-0.265539
+O	-4.4916205804	 2.7285305375	-1.1819015344	-0.269033
+C	-2.4817465715	 1.6136506667	 0.0605390651	-0.337081
+H	-0.3833354297	-0.3820112977	 0.764448516	 0.075798
+H	 0.5735172494	 1.1398489951	-1.7587962301	 0.123223
+H	-0.8440275752	 0.0682149737	-1.6948974767	 0.115318
+H	-0.5509276351	 2.6492780115	-0.0761346971	 0.090988
+H	-1.5599302135	 3.6652640919	-2.1063078844	 0.111246
+H	-2.1413275079	 2.0681414051	-2.6380874986	 0.115539
+H	-4.3595174907	 3.8572838805	 0.6339379388	 0.117301
+H	-3.9094932094	 4.7707135085	-0.8998394977	 0.117441
+H	-2.5207738258	 1.7289935602	 1.1460105148	 0.111952
+H	-2.8618361426	 0.6213017883	-0.2054646189	 0.114212
+19
+0 927	4.840336	0.8569894	0.804542	1.9642	77.29	-0.27343	0.00928	0.28271	1444.9205	0.156354	-422.554546	-422.545865	-422.544921	-422.588908	31.892
+O	 1.2835336787	 1.2103710589	-0.8408884841	-0.306299
+C	 0.6509951715	 0.2310438293	-0.5534540925	 0.175229
+O	-0.634107181	 0.2022969074	-0.1762747272	-0.215617
+C	-1.2968823529	 1.4740361816	-0.1019311776	 0.164927
+C	-1.8327709935	 2.0803802128	-1.4222895582	-0.322257
+C	-3.1495134192	 2.3489592154	-0.677214311	 0.370903
+C	-3.776684457	 3.6974211421	-0.4728553839	-0.314837
+C	-4.5120164375	 2.615312843	-1.2346339001	-0.329201
+C	-2.7360782316	 1.3796931573	 0.442373348	-0.339296
+H	 1.0417344014	-0.7987019803	-0.5573227756	 0.108426
+H	-0.6617016291	 2.1714497193	 0.4462456428	 0.108729
+H	-1.2844096473	 2.9297594668	-1.8339366561	 0.116747
+H	-1.9386506351	 1.3085447098	-2.1915274699	 0.108192
+H	-4.13157668	 3.9526012672	 0.5208702101	 0.11257
+H	-3.3807066014	 4.5378045064	-1.034357625	 0.114771
+H	-5.3630650143	 2.1411147578	-0.7558309514	 0.112928
+H	-4.6117521646	 2.7254445445	-2.3099495669	 0.113977
+H	-2.9005767782	 1.6854154429	 1.4783942245	 0.105962
+H	-3.1405021286	 0.3735847577	 0.2936868742	 0.114147
+19
+0 928	4.2732995	0.9426351	0.898792	3.1619	75.42	-0.24667	-0.02107	0.2256	1325.0798	0.157404	-422.547884	-422.539814	-422.53887	-422.581566	30.065
+O	 1.5540403844	-0.179774606	-0.0555162626	-0.23978
+C	 0.3797350673	 0.0817136009	 0.0070827021	 0.154263
+C	-0.4067586863	 0.7778609948	-1.0790738657	-0.298534
+C	-1.1514654392	 2.0278947802	-0.5829148786	 0.009876
+C	-1.8951525253	 2.7977365668	-1.729749872	-0.250216
+C	-3.3244254719	 2.6688267067	-1.1675906793	 0.085351
+C	-3.1715226905	 3.0565288056	 0.319035483	-0.233125
+C	-2.4132502734	 1.7143877694	 0.2666901867	 0.064528
+O	-3.3602463673	 1.2634604553	-0.7512370858	-0.296407
+H	-0.2102898047	-0.1895284587	 0.9140655974	 0.069731
+H	 0.2842018705	 1.0249382099	-1.8904376733	 0.118588
+H	-1.1574132403	 0.075820502	-1.4685304473	 0.135436
+H	-0.4628155774	 2.6827845568	-0.039173221	 0.082766
+H	-1.567435239	 3.8346342392	-1.8394673138	 0.10439
+H	-1.7980733543	 2.2959496765	-2.6951864819	 0.112294
+H	-4.1679006033	 2.9710533925	-1.7874810935	 0.084462
+H	-2.6306106613	 3.9693625331	 0.5821675125	 0.097228
+H	-4.1113338664	 2.9719657581	 0.8647120491	 0.115311
+H	-2.3270350517	 1.0422443669	 1.1204735738	 0.083838
+19
+0 929	4.5757925	0.9481068	0.9185184	3.8879	75.98	-0.24275	-0.01807	0.22468	1310.8957	0.157462	-422.546825	-422.538845	-422.5379	-422.580323	30.017
+O	 1.2133869549	-0.5927968758	-0.1475614834	-0.2434
+C	 0.1061805551	-0.1176047564	-0.1630605442	 0.156883
+C	-0.4082467596	 0.8153352802	-1.2408973248	-0.306532
+C	-0.9232764702	 2.1338975252	-0.6564712079	 0.131822
+O	-1.9761487506	 1.8996404126	 0.3145082278	-0.300585
+C	-3.0364645174	 2.7370495576	-0.1864979235	 0.118703
+C	-3.0661824291	 2.4114140144	-1.6980212161	-0.238015
+C	-1.6592832991	 3.0881583081	-1.6143821511	-0.079015
+C	-2.3065429117	 4.0487847908	-0.5633915612	-0.239183
+H	-0.6305047483	-0.3397638084	 0.6376684332	 0.097842
+H	 0.4008900586	 1.0033217861	-1.9533190667	 0.117397
+H	-1.2260918132	 0.3022833435	-1.7625540129	 0.117954
+H	-0.0902872014	 2.6483581379	-0.1583417558	 0.086885
+H	-3.8961130128	 2.6738782821	 0.4780585181	 0.084335
+H	-3.1417577571	 1.3617549415	-1.988337237	 0.100929
+H	-3.7812061337	 3.01712784	-2.2563886763	 0.106428
+H	-1.1146097043	 3.4433416151	-2.4880449767	 0.078356
+H	-1.6613129409	 4.498094281	 0.1953269631	 0.103812
+H	-2.9587962595	 4.7959630345	-1.0175788344	 0.105383
+19
+0 930	3.7525305	1.1647349	1.0930174	2.1241	75.57	-0.27593	0.01099	0.28692	1162.9169	0.159135	-422.58053	-422.572926	-422.571982	-422.613293	29.144
+O	 1.1803069713	 0.7258981426	 0.6731511615	-0.307826
+C	 0.2735949845	-0.0477990015	 0.5250283528	 0.173293
+O	-0.997321608	 0.2587855653	 0.2371197703	-0.224936
+C	-1.3039336247	 1.6656972915	 0.0750858498	 0.157056
+C	-2.7040587594	 1.8080112159	-0.5837870561	-0.25387
+C	-3.4183418522	 2.5870406023	 0.5393189889	-0.014757
+C	-2.9614327202	 1.8148989302	 1.8107403348	-0.225008
+C	-1.5661731487	 2.3789030937	 1.4101830571	-0.042397
+C	-2.3362039079	 3.6408837052	 0.9182834812	-0.229206
+H	 0.3616752317	-1.1433830025	 0.6009939996	 0.107154
+H	-0.4896265512	 2.1217023469	-0.4892932819	 0.10376
+H	-2.6660683715	 2.3605027021	-1.5264954309	 0.102438
+H	-3.1452161437	 0.826684229	-0.7751980749	 0.113405
+H	-4.4598270479	 2.8604082872	 0.3709878366	 0.063538
+H	-3.3366894751	 2.2646577847	 2.7322731995	 0.099252
+H	-3.0907387562	 0.729989157	 1.8354010908	 0.100509
+H	-0.7279874541	 2.4367172833	 2.1020941942	 0.081834
+H	-2.6385195198	 4.2858995431	 1.7459818662	 0.103048
+H	-1.8934771667	 4.2409532838	 0.1167980306	 0.092712
+19
+0 931	4.6604095	0.8903319	0.8192429	3.6211	75.73	-0.24089	-0.01957	0.22132	1406.3257	0.156694	-422.553459	-422.544959	-422.544015	-422.587727	31.148
+O	 1.4509753648	-0.1631236845	-0.1906263279	-0.242414
+C	 0.2796230402	 0.0705149844	-0.0312593189	 0.153757
+C	-0.2811113644	 0.8553991745	 1.1375984149	-0.299844
+C	-1.1458621739	 2.0356319434	 0.6880858592	 0.114372
+C	-1.7659317518	 2.8660028079	 1.8400794419	-0.258588
+C	-3.1304850779	 3.2584275827	 1.2991236719	-0.072856
+C	-3.1838450355	 3.8513262993	-0.1005028194	-0.324422
+C	-3.3525319343	 2.3693334937	 0.1102611651	 0.121209
+O	-2.2430718135	 1.529611494	-0.0825004805	-0.274094
+H	-0.4847139339	-0.284826529	-0.7543592249	 0.098442
+H	-0.9117452281	 0.1802564766	 1.7318370368	 0.123041
+H	 0.551305689	 1.2002093376	 1.7577124196	 0.12066
+H	-0.539362148	 2.6957203283	 0.0508563172	 0.08791
+H	-1.8900572417	 2.2478641344	 2.7365417022	 0.107004
+H	-1.127323013	 3.7141342863	 2.1039801891	 0.111677
+H	-3.9230821236	 3.4871980865	 2.0012244932	 0.094343
+H	-4.0727211266	 4.4160449857	-0.3603313222	 0.116188
+H	-2.2724545832	 4.2207909265	-0.5587887062	 0.11958
+H	-4.2851461645	 1.8685175418	-0.119377811	 0.104034
+19
+0 932	4.3374249	0.8957098	0.8131733	2.2437	75.2	-0.25113	-0.02288	0.22825	1396.9694	0.156798	-422.564052	-422.555629	-422.554685	-422.598108	30.886
+O	 0.6001589177	-0.8685615756	-0.2995856352	-0.241408
+C	 0.5740200209	 0.3130051938	-0.0706991689	 0.164408
+C	-0.1308078326	 0.9576962022	 1.1015725487	-0.301082
+C	-1.1344390909	 2.0299038941	 0.6536049748	 0.013109
+C	-2.3371285769	 1.4751360104	-0.1575297784	-0.252909
+C	-3.4463401263	 2.4728033188	 0.102288678	 0.050724
+O	-3.0317179434	 3.8411691128	-0.0300563611	-0.259869
+C	-3.108954249	 3.2735429626	 1.2858237807	 0.04992
+C	-1.7700476274	 2.8185571451	 1.8293743493	-0.266725
+H	 1.0896520266	 1.0379987429	-0.745219047	 0.072111
+H	-0.6137994261	 0.1742279287	 1.6943867419	 0.117256
+H	 0.6417715993	 1.4310940506	 1.7255106652	 0.118942
+H	-0.6125208282	 2.7525323172	 0.0185159893	 0.099428
+H	-2.1055679351	 1.359999978	-1.2212268076	 0.116239
+H	-2.646820681	 0.4905821025	 0.2168272574	 0.111611
+H	-4.4695577382	 2.265011156	-0.1999635132	 0.095851
+H	-3.859652084	 3.7102671755	 1.9395807853	 0.095655
+H	-1.1357930201	 3.6468410347	 2.1608839238	 0.112191
+H	-1.9421545054	 2.1672786396	 2.6964604668	 0.104549
+19
+0 933	4.0050808	1.0364849	0.941254	2.1103	75.34	-0.27451	0.00987	0.28437999999999997	1274.0468	0.158468	-422.586406	-422.578326	-422.577381	-422.619777	30.333
+O	 0.7079182385	 0.5122888093	 1.0318061477	-0.307384
+C	 0.4383816761	 0.0772819647	-0.0548146343	 0.174995
+O	-0.4563300342	 0.5798256005	-0.9142971426	-0.220286
+C	-1.149339097	 1.7799698745	-0.4994896698	 0.126824
+C	-2.3570903706	 1.4844868745	 0.4162559221	-0.241565
+C	-3.3664584466	 2.5690086419	 0.0780160696	-0.029507
+C	-2.8713293456	 3.9945525399	 0.0165462342	-0.288025
+C	-2.9748337686	 3.181647547	-1.2525773897	-0.032342
+C	-1.7216233255	 2.4782668638	-1.7460378703	-0.246511
+H	 0.9000836384	-0.8132261164	-0.5097515286	 0.10838
+H	-0.4230984982	 2.4070676749	 0.0201447199	 0.112642
+H	-2.7646368968	 0.5011356481	 0.1530143483	 0.107116
+H	-2.0644956707	 1.4533170903	 1.4691856809	 0.12081
+H	-4.4063757647	 2.3983337885	 0.3319959955	 0.085363
+H	-3.6083249799	 4.7772163053	 0.159583998	 0.111607
+H	-1.8926685734	 4.2397248535	 0.4181746279	 0.113717
+H	-3.724026862	 3.4639696156	-1.9832498854	 0.0854
+H	-1.9872236232	 1.7143973878	-2.4855522746	 0.114054
+H	-0.991015706	 3.1477345465	-2.2113632088	 0.104712
+19
+0 934	3.815833	0.9971337	0.8875733	3.8846	75.74	-0.24325	-0.01768	0.22557	1321.9275	0.15648	-422.526947	-422.518393	-422.517449	-422.561814	30.679
+O	 1.5488516271	-0.0610757755	-0.1646081519	-0.242364
+C	 0.3581936366	 0.1172878219	-0.1167323368	 0.15323
+C	-0.3802293945	 0.7210500652	 1.0550451367	-0.288406
+C	-1.1392821083	 1.992583765	 0.6644489443	-0.006678
+C	-2.028059321	 2.6750104654	 1.7573396863	-0.270323
+C	-3.2539428245	 2.6284117528	 0.802175102	-0.072879
+C	-4.0738750477	 1.3339697626	 0.8969792389	-0.07706
+O	-3.1420038783	 0.6277967995	 0.0383784702	-0.29415
+C	-2.4003858309	 1.8374865688	-0.2284434785	 0.103711
+H	-0.2954041066	-0.1613186191	-0.9756281983	 0.082061
+H	-1.1136683161	-0.0176057285	 1.4037784448	 0.128768
+H	 0.3359568913	 0.9222527471	 1.8571599123	 0.115865
+H	-0.4524830169	 2.7202712586	 0.2182422191	 0.085536
+H	-2.1533644203	 2.0957067331	 2.677186373	 0.103474
+H	-1.7010279534	 3.6807323133	 2.0281560361	 0.110376
+H	-3.7770918533	 3.5594330068	 0.5917281436	 0.081772
+H	-4.1609660923	 0.8725015447	 1.8885359616	 0.103464
+H	-5.0683377235	 1.3857871607	 0.4356822678	 0.105505
+H	-2.3235023472	 2.0463586175	-1.2990699913	 0.078099
+19
+0 935	3.6218191	0.9996368	0.8644023	1.6996	75.78	-0.24676	-0.02778	0.21898	1336.5183	0.156242	-422.526757	-422.518195	-422.517251	-422.561466	30.76
+O	 0.1535025954	-1.002957412	 0.2558549755	-0.238903
+C	 0.4542193777	 0.1159625956	-0.0738911699	 0.157285
+C	-0.232661955	 0.9078521681	-1.1625158889	-0.298946
+C	-1.0704011594	 2.0432405572	-0.5576752519	 0.009656
+C	-1.9213259353	 2.8569483973	-1.5885911282	-0.267686
+C	-3.2019151671	 2.4710107753	-0.819507505	 0.127994
+O	-3.5242607744	 3.3997660368	 0.2368839929	-0.294188
+C	-2.8873512536	 2.5633120548	 1.2323064755	-0.086412
+C	-2.3785914439	 1.5880452165	 0.1616757056	-0.090536
+H	 1.2688981346	 0.6669541607	 0.452984738	 0.074636
+H	 0.531159971	 1.3392698741	-1.8236414311	 0.114867
+H	-0.8617122487	 0.2294628344	-1.7476695053	 0.119211
+H	-0.4327909342	 2.6693593119	 0.0769228442	 0.077916
+H	-1.7333479951	 3.9312728417	-1.6425944491	 0.114462
+H	-1.8790193733	 2.4331050734	-2.5968429258	 0.102496
+H	-4.0859755483	 2.1585719745	-1.3815507816	 0.07867
+H	-2.128357596	 3.1048856418	 1.8117752098	 0.099709
+H	-3.6261911558	 2.1364407685	 1.922557698	 0.104499
+H	-2.5180599188	 0.5192751093	 0.3184008673	 0.09527
+19
+0 936	5.1523772	0.848301	0.7965516	3.7736	76.45	-0.2414	-0.02137	0.22003	1445.7712	0.156103	-422.530261	-422.521649	-422.520705	-422.56475	30.986
+O	 0.2336861497	-1.0935580098	 0.2946555519	-0.241579
+C	 0.36813291	 0.0746088208	 0.0311471582	 0.152866
+C	-0.2127792354	 0.7475960133	-1.1951258753	-0.300462
+C	-1.0391173257	 1.9822869287	-0.8316268786	 0.127982
+O	-0.2261108131	 2.9865476745	-0.167727126	-0.311857
+C	-0.4152129674	 3.9262443133	-1.2478964696	 0.124414
+C	-1.5856179767	 4.9040993209	-0.999477898	-0.229767
+C	-2.5575904496	 3.9059763653	-1.7070570354	-0.246487
+C	-1.3704317003	 2.9446263176	-1.9879925202	-0.090239
+H	 0.9433799403	 0.7552114767	 0.6944242061	 0.098456
+H	 0.6221558378	 1.065993037	-1.8349085363	 0.120004
+H	-0.8207622289	 0.0220274298	-1.7448473023	 0.119071
+H	-1.8963816435	 1.6922945774	-0.2084623299	 0.087304
+H	 0.5330694679	 4.3174143792	-1.6251436066	 0.078311
+H	-1.7714224907	 5.1058130177	 0.0574030241	 0.115177
+H	-1.4791893212	 5.8543019561	-1.5296234728	 0.10499
+H	-3.3540250207	 3.4858058768	-1.0866521397	 0.105741
+H	-3.0107354199	 4.3111901905	-2.6141392793	 0.108537
+H	-1.2272260225	 2.5740097644	-3.0026967304	 0.077537
+19
+0 937	4.2050825	0.9865534	0.9329395	2.1638	75.87	-0.27413	0.00978	0.28391	1303.4739	0.1573	-422.553537	-422.545225	-422.54428	-422.587802	30.399
+O	 1.2074491196	 0.9396170108	 1.1183396438	-0.306176
+C	 0.4421144982	 0.0489415861	 0.8673807998	 0.174918
+O	-0.7924551833	 0.1846616853	 0.3661669932	-0.218452
+C	-1.2185235446	 1.5340396286	 0.0974159518	 0.154764
+C	-1.7843489362	 2.2935310844	 1.3256796388	-0.253798
+C	-3.1367014556	 2.4647315314	 0.5902401804	-0.020485
+C	-3.2102736813	 3.6612265912	-0.4030651938	-0.224391
+C	-2.8050719581	 2.7209485773	-1.5804026532	-0.228317
+C	-2.607263998	 1.5555613267	-0.5811480185	-0.061922
+H	 0.6490136972	-1.0231255492	 1.0126867202	 0.108415
+H	-0.4190718958	 2.0459468872	-0.4433441082	 0.099633
+H	-1.8632528273	 1.6243682459	 2.1862991055	 0.110892
+H	-1.2533901196	 3.1988948661	 1.6303133404	 0.109461
+H	-4.0420122358	 2.2469647548	 1.1569554792	 0.069013
+H	-4.205309479	 4.0995356618	-0.506910308	 0.104565
+H	-2.5072782515	 4.471090864	-0.1862723064	 0.10085
+H	-3.6296713125	 2.5403039213	-2.2740692841	 0.105128
+H	-1.9258745515	 3.007815472	-2.1653686976	 0.099249
+H	-3.011588715	 0.5737505545	-0.8275038631	 0.076653
+19
+0 938	3.4780281	0.8715451	0.7289526	3.7108	76.43	-0.24397	-0.02825	0.21572	1506.0728	0.155662	-422.602741	-422.593689	-422.592745	-422.637864	32.381
+O	 0.5534106574	-0.8615181899	-0.3221188044	-0.237078
+C	 0.5520961383	 0.3017338801	-0.014400257	 0.163913
+C	-0.2515402294	 0.9013283378	 1.1184118802	-0.29476
+C	-1.1451253329	 2.058704189	 0.6527333675	 0.003206
+C	-1.8744131845	 2.7843785349	 1.8093763133	-0.232097
+C	-2.9969841399	 3.5709104572	 1.1192724425	-0.323046
+C	-3.3550450473	 2.7426290059	-0.1225065469	 0.401838
+O	-4.3057137212	 2.9190216243	-0.8372855472	-0.306712
+C	-2.288830186	 1.6537477406	-0.2947214014	-0.326148
+H	 1.1715884947	 1.0427811997	-0.5745540454	 0.071477
+H	-0.8397124779	 0.1073448092	 1.5898351113	 0.120549
+H	 0.4654123762	 1.2820663679	 1.8612534033	 0.11944
+H	-0.5147658724	 2.7967525034	 0.1358704096	 0.084447
+H	-2.3012798679	 2.0395856555	 2.4925401987	 0.109361
+H	-1.1986436629	 3.4122489222	 2.3960951674	 0.107006
+H	-3.8813543807	 3.7565471593	 1.733057967	 0.132556
+H	-2.6418568215	 4.5483523381	 0.7670472186	 0.133676
+H	-2.7361031688	 0.7017456873	 0.0252338308	 0.137826
+H	-2.0110431834	 1.5359859873	-1.3448232578	 0.134546
+19
+0 939	3.4047131	0.9826077	0.8528546	3.1255	76.68	-0.24935	-0.02207	0.22727999999999998	1365.2102	0.154997	-422.531034	-422.521959	-422.521015	-422.566313	32.362
+O	 0.0390525783	-1.0337800613	 0.4111092276	-0.23911
+C	 0.3275768312	 0.0805490218	 0.056739191	 0.15497
+C	-0.3683432681	 0.8494968095	-1.0401279504	-0.271763
+C	-1.0887344271	 2.0807743042	-0.4682259436	-0.121445
+C	-2.4499231024	 1.7784329822	 0.2385605131	-0.233195
+C	-3.2164800785	 2.3142348238	-1.0103860322	-0.315475
+C	-1.8852181022	 2.8631260502	-1.526370569	 0.460609
+C	-1.5751855106	 4.1628768078	-2.1227466418	-0.263164
+O	-1.5142544027	 2.9490105778	-2.8885615063	-0.267318
+H	 1.1497541877	 0.6443188253	 0.5593109432	 0.070192
+H	 0.3810104301	 1.1885314702	-1.7675669879	 0.127086
+H	-1.0679564698	 0.182892303	-1.5525911489	 0.122473
+H	-0.3850210165	 2.6845184985	 0.1151623723	 0.077887
+H	-2.6213016304	 0.7318883889	 0.4970861234	 0.122839
+H	-2.6075542987	 2.3898900655	 1.1291701339	 0.109906
+H	-3.6010219707	 1.5161412043	-1.6512704735	 0.122958
+H	-4.0161851317	 3.0370503945	-0.8345123863	 0.109675
+H	-2.3826400604	 4.8422950488	-2.3933599528	 0.117917
+H	-0.6146773674	 4.6374969553	-1.9241142318	 0.114959
+19
+0 940	3.3602024	0.9426661	0.8097243	1.1565	76.64	-0.23525	-0.02845	0.20679999999999998	1418.2959	0.154789	-422.523195	-422.514029	-422.513085	-422.55859	32.583
+O	 1.4729530732	-0.2932202877	-0.1073237073	-0.233862
+C	 0.3032466327	-0.0245629284	-0.014452343	 0.157423
+C	-0.3102689769	 0.7935779944	 1.100520251	-0.296582
+C	-1.0575544769	 2.019721605	 0.5681455025	-0.150709
+C	-2.4076701381	 1.787585215	-0.1560605878	-0.090367
+O	-3.1213948589	 2.5742300462	 0.8211178601	-0.302841
+C	-1.920943303	 2.8018866134	 1.561501059	 0.460636
+C	-1.9121503552	 2.8148795707	 3.0549443966	-0.336971
+C	-1.6651264532	 4.0928425977	 2.2604610414	-0.333168
+H	-0.4235405287	-0.3758754066	-0.7844426893	 0.075534
+H	-1.0191590241	 0.1531388257	 1.644016887	 0.125433
+H	 0.487807845	 1.0832792913	 1.7907214838	 0.123731
+H	-0.3743030975	 2.660962275	 0.0041333364	 0.097595
+H	-2.4926659692	 2.2108195353	-1.162712805	 0.111761
+H	-2.7578667606	 0.7475685784	-0.171726089	 0.102032
+H	-2.8723097525	 2.712720842	 3.5492435337	 0.128094
+H	-1.0784436302	 2.3623241627	 3.5823914204	 0.117466
+H	-2.4616092421	 4.8288799988	 2.2379778476	 0.127562
+H	-0.6615018638	 4.5061222012	 2.2414682618	 0.117233
+19
+0 941	3.3581028	0.9612327	0.8223766	3.7352	76.83	-0.24409	-0.02193	0.22216	1407.3396	0.155073	-422.524669	-422.515541	-422.514596	-422.55983	32.424
+O	 0.2336741427	-1.1306081228	 0.1568029693	-0.240525
+C	 0.4070075818	 0.0389454297	-0.0754431608	 0.152248
+C	-0.2820264002	 0.8014133167	-1.1888450531	-0.293521
+C	-1.0255909262	 2.0276080238	-0.6585883561	 0.056048
+O	-0.1285399486	 2.9783926634	-0.0319306947	-0.300379
+C	-0.5338117819	 4.0422828989	-0.9239484425	-0.135743
+C	-1.4748117403	 3.094536862	-1.6597601649	 0.291641
+C	-2.8424960048	 3.3604838884	-2.2021337577	-0.323987
+C	-1.7151116199	 2.970000258	-3.1326681459	-0.324248
+H	 1.1043291729	 0.6523947809	 0.5341836364	 0.099315
+H	 0.4837631162	 1.1423088188	-1.8980056836	 0.120667
+H	-0.9679217713	 0.1223243856	-1.7051493815	 0.117349
+H	-1.8115000012	 1.7160300948	 0.0443159005	 0.088814
+H	-1.015092556	 4.8668101373	-0.3822008868	 0.106418
+H	 0.311919321	 4.4364543454	-1.5018209572	 0.105804
+H	-3.6198105332	 2.627907244	-2.0078445063	 0.120623
+H	-3.1932747055	 4.3875634368	-2.2202741191	 0.118725
+H	-1.7354136298	 1.9773238648	-3.5708836259	 0.121694
+H	-1.2960005256	 3.7333212635	-3.7808160802	 0.119059
+19
+0 942	2.4832236	1.4834074	1.0913044	1.9295	76.	-0.27344	0.00667	0.28011	1148.1519	0.15648	-422.556069	-422.547387	-422.546443	-422.590159	31.867
+O	 1.1580443661	 1.0747345555	 0.4780517352	-0.307154
+C	 0.3548473437	 0.1811768866	 0.4432395452	 0.173093
+O	-0.9682083389	 0.3077866809	 0.2916015752	-0.209984
+C	-1.4673686319	 1.6441483486	 0.0970135444	 0.082534
+C	-2.9638041819	 1.6775268542	-0.2697152764	-0.258678
+C	-3.162492174	 2.8302390945	 0.7614273727	-0.311212
+C	-1.7778259079	 2.4918770734	 1.3349815198	 0.349194
+C	-0.840310952	 3.3313821122	 2.1467583958	-0.332272
+C	-1.4802638853	 2.1038774281	 2.7533590424	-0.318282
+H	 0.6003187914	-0.8888725818	 0.5318288413	 0.110296
+H	-0.8139809774	 2.1547488374	-0.6143201321	 0.104087
+H	-3.2133826395	 1.8772040328	-1.313224368	 0.106026
+H	-3.4542219309	 0.7548010932	 0.0478155587	 0.120262
+H	-3.2001100788	 3.8171554904	 0.2909558175	 0.107616
+H	-4.013553983	 2.7335475154	 1.4396642658	 0.106286
+H	 0.214047172	 3.2781288517	 1.8993595521	 0.138654
+H	-1.1866004447	 4.306077217	 2.4758382637	 0.109073
+H	-0.8541036081	 1.2356421094	 2.9296859674	 0.118999
+H	-2.268974819	 2.2410828505	 3.4865724393	 0.111461
+19
+0 943	2.1333426	1.316313	0.9234237	3.9375	76.83	-0.24656	-0.02792	0.21864	1289.2392	0.154685	-422.56507	-422.555515	-422.55457	-422.601301	32.876
+O	 0.3089284278	-0.9297751487	-0.4206431256	-0.245255
+C	 0.4492047927	 0.2376418253	-0.1595095125	 0.166557
+C	-0.1491318257	 0.9199157024	 1.053598524	-0.309118
+C	-1.1357226427	 2.0153123987	 0.6478663416	 0.023155
+C	-1.9598625001	 2.7395658756	 1.7482365163	-0.246123
+C	-3.1980600301	 2.7079596795	 0.8111116154	-0.248837
+C	-2.4677460331	 1.6037704	-0.0282047426	-0.075486
+C	-2.5646087613	 1.7029822604	-1.5233356727	 0.139384
+O	-1.6436398149	 2.0009029464	-2.2441698282	-0.248422
+H	 1.0322981564	 0.9101976342	-0.8277581632	 0.085676
+H	-0.6324893109	 0.1597403282	 1.6758959912	 0.112345
+H	 0.6699400552	 1.3713152297	 1.6317086092	 0.116701
+H	-0.6345680022	 2.744613149	 0.0029210131	 0.098525
+H	-2.1053558151	 2.1029427002	 2.6263053864	 0.108157
+H	-1.6047660327	 3.7173791011	 2.0807613357	 0.107976
+H	-4.1612202649	 2.4438637497	 1.2504751632	 0.112686
+H	-3.3108675203	 3.6370941159	 0.2456626735	 0.117674
+H	-2.8067019598	 0.6079334	 0.2835984989	 0.103023
+H	-3.5763083584	 1.5023478823	-1.9447317638	 0.08138
+19
+0 944	3.9550961	0.9518533	0.8463425	2.894	75.56	-0.2495	-0.02305	0.22644999999999998	1364.0335	0.156894	-422.563296	-422.554802	-422.553858	-422.597631	30.903
+O	 1.6178270987	 0.2680109937	-0.3097527089	-0.239484
+C	 0.4261347189	 0.2496388791	-0.1345207616	 0.151578
+C	-0.2752284976	 0.8280116623	 1.0722852479	-0.288215
+C	-1.2533465021	 1.9654116353	 0.7120600569	-0.020847
+C	-1.8563955596	 2.6448857937	 1.9729500776	-0.235513
+C	-3.2512086848	 3.1666219223	 1.5555910036	-0.248683
+C	-3.6660056584	 2.2298297264	 0.4397300674	 0.053831
+O	-3.4497848908	 0.840787765	 0.7384555534	-0.262932
+C	-2.4836154897	 1.5283095194	-0.0708892825	 0.036359
+H	-0.2500348659	-0.2106687718	-0.8924564873	 0.074541
+H	-0.8520637205	 0.0271793855	 1.5551476636	 0.131559
+H	 0.4873934484	 1.1815312344	 1.7722539695	 0.119719
+H	-0.7236685363	 2.7136781085	 0.10637058	 0.087901
+H	-1.9678703515	 1.8962644493	 2.7611883908	 0.120165
+H	-1.2083484181	 3.4343456305	 2.3604163531	 0.105851
+H	-3.9604098012	 3.1779294676	 2.3887718402	 0.113851
+H	-3.1983530866	 4.1865621687	 1.155359547	 0.106891
+H	-4.5360460183	 2.4394100663	-0.1774480019	 0.096049
+H	-2.4063617448	 1.1822706638	-1.0987954888	 0.097378
+19
+0 945	3.2782177	1.1612037	0.9791453	1.3397	74.58	-0.2316	-0.02312	0.20848	1226.4552	0.156814	-422.551276	-422.542954	-422.54201	-422.584799	30.917
+O	 0.3757840763	 0.1214072536	 0.9713963932	-0.237651
+C	 0.0667296995	-0.2364331666	-0.1372826453	 0.152054
+C	-0.681256948	 0.6040732004	-1.1453594731	-0.30477
+C	-1.0659172343	 2.0094965142	-0.6677807776	-0.011233
+C	-1.7443172946	 2.8364690564	-1.7895547425	-0.123661
+O	-3.1499633679	 2.6158087271	-1.676326742	-0.258766
+C	-3.4271562963	 2.3248992444	-0.3288048243	 0.122529
+C	-2.883528273	 3.2433548661	 0.7334705421	-0.347537
+C	-2.16240045	 1.9500289582	 0.390954349	-0.062422
+H	 0.3374387963	-1.2541432304	-0.5029037196	 0.080314
+H	-0.0438040631	 0.6526055689	-2.0414629899	 0.122701
+H	-1.5689577047	 0.0373134351	-1.4629200248	 0.13622
+H	-0.1674715147	 2.5173788709	-0.304508508	 0.092856
+H	-1.5149251644	 3.9041517198	-1.6719405832	 0.099471
+H	-1.440085341	 2.5384862658	-2.7974309571	 0.105094
+H	-4.3796496867	 1.8226336649	-0.210925224	 0.0996
+H	-2.4504427047	 4.194983501	 0.4442723358	 0.116769
+H	-3.4094018644	 3.2673493467	 1.6818013101	 0.115618
+H	-2.1193991044	 1.1624890436	 1.1316196012	 0.102813
+19
+0 946	4.3467919	0.9417497	0.8632986	3.7359	75.69	-0.2425	-0.01873	0.22377	1352.4891	0.156945	-422.558158	-422.54972	-422.548776	-422.592095	30.95
+O	 0.4514910518	-1.0911494202	-0.1518872388	-0.243238
+C	 0.4250624753	 0.1135252448	-0.1300575709	 0.150575
+C	-0.2304809965	 0.9728076365	-1.1898965344	-0.29417
+C	-1.1473815393	 2.0530639525	-0.5845177852	 0.08767
+O	-0.4229248026	 2.9321592757	 0.284378635	-0.270211
+C	 0.0214622097	 4.0703431281	-0.4585416455	-0.101252
+C	-0.9978387796	 4.2602252658	-1.5639741429	-0.04701
+C	-2.4427744803	 4.1958280283	-1.143072871	-0.306762
+C	-1.7545092021	 2.9538743605	-1.6475319518	-0.042611
+H	 0.8953280978	 0.687513648	 0.6968652158	 0.09425
+H	 0.5649407258	 1.4703392379	-1.7627196294	 0.12125
+H	-0.7843851613	 0.3231421636	-1.8743867672	 0.118958
+H	-1.9086439508	 1.5735497618	 0.0431954218	 0.095994
+H	 0.084013251	 4.905062741	 0.2475721393	 0.113673
+H	 1.0239792261	 3.9070240426	-0.8839033394	 0.094357
+H	-0.7132279232	 4.8141572204	-2.4503362063	 0.093572
+H	-2.672786856	 4.2603768095	-0.0837944416	 0.125375
+H	-3.1741361624	 4.6576172989	-1.7965535713	 0.11562
+H	-2.0467190434	 2.5179852744	-2.5953256864	 0.09396
+19
+0 947	3.8369062	1.0861405	1.01103	2.2236	75.45	-0.27058	0.0124	0.28298	1226.3467	0.158498	-422.588643	-422.5806	-422.579656	-422.621975	30.265
+O	 1.0797578412	 0.4149952529	 1.0746661098	-0.310297
+C	 0.0547276639	-0.1969921203	 0.93811811	 0.182093
+O	-1.1122743798	 0.2873464699	 0.5001397998	-0.226319
+C	-1.1372501457	 1.698381683	 0.1307385051	 0.136428
+C	-1.417034241	 2.5762119737	 1.3660178136	-0.259604
+C	-2.9580341157	 2.6116749398	 1.5002773287	-0.214442
+C	-3.4740938802	 2.4348341401	 0.0785516057	-0.016361
+C	-2.8348586582	 3.2750747428	-0.9971284623	-0.306983
+C	-2.3475460195	 1.8657092349	-0.7600251787	-0.045542
+H	-0.0701910686	-1.2697260911	 1.1572952969	 0.106533
+H	-0.1807447121	 1.9310569765	-0.3410223369	 0.105786
+H	-0.9105073449	 2.1901768922	 2.2518962936	 0.120833
+H	-1.0146341842	 3.577714881	 1.187205776	 0.113509
+H	-3.305079198	 1.7747294501	 2.1162063091	 0.108628
+H	-3.3074237879	 3.5337910859	 1.9761344912	 0.100252
+H	-4.4961000609	 2.10416358	-0.0668658749	 0.085116
+H	-3.4065656264	 3.4380483513	-1.9039467469	 0.115178
+H	-2.2062147367	 4.115658444	-0.7214614796	 0.113186
+H	-2.5140912953	 1.1145996933	-1.5227993602	 0.092006
+19
+0 948	4.0877945	0.9099008	0.7829975	3.3664	77.98	-0.24172	-0.01908	0.22264	1435.1023	0.156334	-422.571509	-422.562693	-422.561749	-422.605978	31.842
+O	 1.4007698307	-0.3290575335	 0.0745475397	-0.243835
+C	 0.2867072424	 0.1235554377	-0.0025232651	 0.151269
+C	-0.4397521005	 0.8008182589	 1.1405316852	-0.297208
+C	-1.1667691687	 2.075217174	 0.7087196785	 0.110214
+C	-1.7436548497	 2.8669968286	 1.8881685054	-0.258575
+C	-2.7122734159	 3.9077655511	 1.3904813053	-0.069285
+C	-3.2055829202	 3.8671746775	 0.1556057681	-0.06414
+C	-2.8676104309	 2.7561074404	-0.7982644742	-0.119456
+O	-2.2088387081	 1.6692131029	-0.1723801471	-0.265288
+H	-0.2968372674	 0.0677075787	-0.9464415722	 0.092917
+H	-1.1970259214	 0.1004638641	 1.5201609887	 0.132539
+H	 0.275034314	 1.0014360076	 1.943448254	 0.12015
+H	-0.4677252548	 2.7321407233	 0.1615918609	 0.075911
+H	-2.2391553345	 2.1825050421	 2.5913958116	 0.11407
+H	-0.9263449428	 3.3417304694	 2.4456673389	 0.110102
+H	-2.9914202351	 4.7068132642	 2.071675415	 0.09404
+H	-3.8762979926	 4.6384121415	-0.2131588238	 0.094945
+H	-3.7797377404	 2.3390594894	-1.2414078211	 0.120725
+H	-2.259104354	 3.1465756722	-1.6347971377	 0.100905
+19
+0 949	3.5185464	1.0496169	0.9052544	2.0664	77.61	-0.24714	0.01104	0.25818	1308.1931	0.158246	-422.604899	-422.596501	-422.595557	-422.638575	31.03
+O	 0.7540503872	 0.4319489019	-0.8231893779	-0.308032
+C	 0.3295041176	 0.0032928592	 0.2157980402	 0.173653
+O	-0.6249906161	 0.5516698483	 0.9761879938	-0.221916
+C	-1.2013202205	 1.8017800562	 0.5120402566	 0.131875
+C	-1.7337231039	 2.5344871872	 1.7367261716	-0.222541
+C	-2.3073479938	 3.9010987298	 1.32987202	-0.2635
+C	-3.1552932913	 3.8119920901	 0.0874097704	-0.042239
+C	-3.1643709442	 2.7539347608	-0.7221256567	-0.05816
+C	-2.3098296551	 1.5299676692	-0.5062567271	-0.26719
+H	 0.6777803498	-0.9213401949	 0.7030486995	 0.107533
+H	-0.4029799918	 2.378644532	 0.0357769983	 0.112357
+H	-2.5188199581	 1.9236003044	 2.1978884493	 0.109846
+H	-0.9366942175	 2.6503891299	 2.4774403398	 0.103822
+H	-2.897377129	 4.3141756794	 2.1569882963	 0.109036
+H	-1.4921253158	 4.6214142714	 1.1665793574	 0.114049
+H	-3.7822220955	 4.6702442497	-0.1418187329	 0.087904
+H	-3.8071232493	 2.7478553477	-1.5986727589	 0.089704
+H	-2.925270422	 0.692567438	-0.1472558366	 0.114607
+H	-1.8653649406	 1.2020816297	-1.451817753	 0.129191
+19
+0 950	2.9854809	1.0059974	0.7919075	3.1514	76.94	-0.24589	-0.02888	0.21701	1417.3637	0.1559	-422.603461	-422.594439	-422.593495	-422.638542	32.209
+O	 0.4520450459	-1.0943667961	 0.0452409392	-0.239466
+C	 0.514507346	 0.0979794566	-0.1040801402	 0.15895
+C	-0.2820668204	 0.8962901123	-1.108065906	-0.293231
+C	-1.0491010894	 2.0493723907	-0.4536912164	-0.106106
+C	-2.3249211653	 1.7048426887	 0.3328229412	-0.226444
+C	-3.117848736	 3.0304330228	 0.35629779	-0.220868
+C	-2.8803310492	 3.6352520854	-1.0374358299	-0.315364
+C	-1.5138409007	 3.1032239111	-1.4754856493	 0.405724
+O	-0.8989862594	 3.4301491454	-2.4573397747	-0.318991
+H	 1.1991171967	 0.7189760144	 0.5236884547	 0.06911
+H	 0.4193884827	 1.3366818358	-1.8314586149	 0.14352
+H	-0.9525301709	 0.2223632493	-1.6494547249	 0.12111
+H	-0.3620709468	 2.5952550634	 0.215226965	 0.106859
+H	-2.8918869089	 0.9365319394	-0.2078481402	 0.111938
+H	-2.1229117277	 1.3133931297	 1.3328653096	 0.112932
+H	-4.1757056855	 2.8830795564	 0.5845038957	 0.109997
+H	-2.7086739165	 3.6928023994	 1.1278040683	 0.109401
+H	-3.6160012394	 3.2653480383	-1.763727722	 0.137944
+H	-2.9105590853	 4.7263540673	-1.0864541853	 0.132985
+19
+0 951	3.906865	0.9163147	0.7866637	2.8748	78.68	-0.24853	-0.0262	0.22233	1429.8278	0.156649	-422.56668	-422.557949	-422.557005	-422.601063	31.616
+O	 0.4381478802	-0.9578656762	-0.1891099544	-0.238513
+C	 0.4631933092	 0.2281023168	 0.0131290293	 0.162037
+C	-0.2541149837	 0.9367090133	 1.1408704832	-0.296757
+C	-1.1007456444	 2.127953225	 0.6473922229	-0.059942
+C	-2.2824775572	 1.6573046237	-0.2150893631	-0.085988
+O	-3.1593865259	 2.7260126834	-0.513317459	-0.248188
+C	-3.8054870066	 3.2379134303	 0.6360888341	-0.117699
+C	-2.8759546908	 3.4246263684	 1.8027194476	-0.089152
+C	-1.6351729166	 2.9443429538	 1.7995438999	-0.059202
+H	 1.0508104323	 0.9095974415	-0.6483322493	 0.072922
+H	-0.8576275274	 0.2097148944	 1.6929380622	 0.125869
+H	 0.5207416059	 1.3178917277	 1.8223644713	 0.121972
+H	-0.4528291324	 2.7664183738	 0.026949604	 0.095308
+H	-1.9444765829	 1.2610755503	-1.1774457047	 0.114841
+H	-2.8174915535	 0.8492936551	 0.3123566865	 0.095788
+H	-4.2409199505	 4.1987882943	 0.336941194	 0.12066
+H	-4.6490851799	 2.5858248436	 0.930316619	 0.100939
+H	-3.2649308981	 3.977416596	 2.6537425967	 0.096787
+H	-0.9726889376	 3.1139756845	 2.64535674	 0.088316
+19
+0 952	4.2617144	0.9032408	0.7816045	3.7248	78.85	-0.24123	-0.01811	0.22311999999999999	1441.7447	0.156586	-422.570485	-422.561675	-422.560731	-422.605199	31.737
+O	 1.2551526468	-0.532741094	 0.1415382211	-0.243647
+C	 0.173298214	-0.00897202	 0.0534949783	 0.151557
+C	-0.4525464887	 0.8319896389	 1.1476561708	-0.291782
+C	-1.0188190406	 2.1626719819	 0.6251013233	 0.071979
+O	-2.0221469369	 1.828443795	-0.3223921219	-0.268152
+C	-2.8351693981	 2.9322788127	-0.6922211681	-0.077959
+C	-3.6549858802	 3.4287622379	 0.4998089348	-0.256762
+C	-2.7611776778	 3.573792283	 1.7029381533	-0.072932
+C	-1.551469708	 3.020883336	 1.7449434879	-0.066066
+H	-0.449665184	-0.117446189	-0.8588641153	 0.097366
+H	-1.2872445213	 0.2642645172	 1.5803276065	 0.131399
+H	 0.294791107	 1.0020488711	 1.9272693002	 0.118624
+H	-0.203378414	 2.7108192744	 0.1145172032	 0.084273
+H	-2.2087709972	 3.7509489512	-1.0814411252	 0.095261
+H	-3.4746646011	 2.5796266072	-1.5057287269	 0.109903
+H	-4.1243020873	 4.3894823534	 0.2529083854	 0.107557
+H	-4.4760319293	 2.7314549943	 0.7149152173	 0.118535
+H	-3.1250291972	 4.1608031026	 2.5419750026	 0.09494
+H	-0.8936324461	 3.1636079562	 2.5981096929	 0.095906
+19
+0 953	3.7768253	1.0298875	0.8732803	2.2021	78.52	-0.25011	0.01107	0.26118	1331.8944	0.158301	-422.602854	-422.594478	-422.593534	-422.636549	30.993
+O	 0.8106538703	 0.4134622001	 0.8257081485	-0.308119
+C	 0.3611965536	-0.0652855176	-0.1806407139	 0.178764
+O	-0.5978233823	 0.4542990505	-0.9549668057	-0.226063
+C	-1.1493733421	 1.7409029055	-0.5413195931	 0.098474
+C	-2.2785454043	 1.532195714	 0.4680338679	-0.226185
+C	-3.0813043289	 2.8294019927	 0.6315404781	-0.218448
+C	-3.7147483599	 3.2634718021	-0.6995126159	-0.242137
+C	-2.7669127604	 3.1033381365	-1.8592899042	-0.059032
+C	-1.6224014052	 2.4258398373	-1.7909475078	-0.0643
+H	 0.6867382917	-1.0214547046	-0.6205612811	 0.108433
+H	-0.3283247063	 2.2964720723	-0.0741684408	 0.117
+H	-2.9294755427	 0.7332211533	 0.0927750898	 0.10675
+H	-1.8614719172	 1.201193047	 1.4227676133	 0.118433
+H	-3.8531317764	 2.7017310218	 1.3970840367	 0.10022
+H	-2.4137775689	 3.6232167767	 0.9903842939	 0.107632
+H	-4.6237130989	 2.6758137236	-0.8979620862	 0.113051
+H	-4.0519118375	 4.305675446	-0.6381400275	 0.107101
+H	-3.0517490005	 3.5740194134	-2.7974407387	 0.092244
+H	-0.9674628244	 2.3451838594	-2.6538921133	 0.096184
+19
+0 954	5.9277716	0.612328	0.5914646	3.8478	79.48	-0.25038	-0.02164	0.22874	1861.2769	0.154363	-422.571701	-422.561868	-422.560924	-422.608434	33.772
+O	 0.217701614	-0.8046819859	 1.182908247	-0.238477
+C	 0.2972194659	-0.3597193527	 0.0675273993	 0.157474
+C	-0.7305065991	 0.5237979276	-0.5961069834	-0.269701
+C	-0.1115349599	 1.8235050496	-1.1202224004	-0.331521
+C	-0.9950173253	 2.5426077301	-2.1358428963	 0.388622
+O	-1.9957599628	 2.0275975847	-2.5900139091	-0.329629
+C	-0.5480580397	 3.9022248126	-2.5484522249	-0.106094
+C	-1.6322096307	 4.9291200569	-2.8549062767	-0.24582
+C	-0.853397889	 4.3366067163	-3.9757417626	-0.246889
+H	 1.1815886873	-0.5876531848	-0.5764837745	 0.066437
+H	-1.1535717987	-0.0194338748	-1.4515954155	 0.144296
+H	-1.5446669611	 0.7187464089	 0.1057464605	 0.129801
+H	 0.1238446537	 2.5138675436	-0.3008677757	 0.134834
+H	 0.8509733413	 1.6266599451	-1.6176525938	 0.131145
+H	 0.3692925908	 4.266039566	-2.0994307792	 0.089905
+H	-2.6511723191	 4.5862669552	-2.7177323534	 0.141309
+H	-1.4362298361	 5.9531545658	-2.5592095556	 0.122024
+H	-1.3495435322	 3.5954304852	-4.5914952439	 0.140897
+H	-0.1057794793	 4.9413005608	-4.4756704617	 0.121387
+19
+0 955	2.7400871	0.9062769	0.748478	3.8144	77.9	-0.24729	-0.02693	0.22036	1513.4592	0.154206	-422.566979	-422.557265	-422.556321	-422.602736	34.039
+O	 1.3674194864	-0.2723121508	 0.2461409561	-0.239235
+C	 0.21874627	-0.0626616077	-0.0485253637	 0.156045
+C	-0.2391146342	 0.8032656253	-1.1976797388	-0.275497
+C	-1.1708243144	 1.9349735703	-0.7182264693	-0.304243
+C	-1.7229502311	 2.7750308781	-1.8543604397	 0.270681
+C	-1.9780037521	 4.2666137955	-1.6376638967	-0.317846
+C	-0.8467767131	 3.8405649237	-2.5075860151	-0.299002
+C	-2.6996772314	 2.1157136833	-2.754797542	 0.119351
+O	-3.0910262247	 0.9792106311	-2.637196805	-0.274022
+H	-0.6137933627	-0.5144139198	 0.5416047958	 0.073751
+H	 0.6419893189	 1.1965885348	-1.712608249	 0.115259
+H	-0.8014071183	 0.1664995141	-1.8917945857	 0.147034
+H	-2.0102620117	 1.5004068818	-0.1628611839	 0.122728
+H	-0.6282925799	 2.5846241388	-0.0220709099	 0.107454
+H	-2.8543051509	 4.7035548223	-2.1050026325	 0.128896
+H	-1.7624760762	 4.6476687511	-0.645900369	 0.133768
+H	-0.9346368492	 3.9847700041	-3.5793807455	 0.128622
+H	 0.164494933	 3.9239402595	-2.1254311431	 0.135323
+H	-3.0722934987	 2.7685946346	-3.5792936132	 0.070933
+19
+0 956	5.0545608	0.7514375	0.7415674	3.0628	77.49	-0.24264	-0.02134	0.2213	1550.3435	0.155158	-422.503243	-422.494469	-422.493525	-422.538057	31.767
+O	 1.1512028647	-0.5209922201	 0.2178900655	-0.236657
+C	 0.052153406	-0.0922366544	-0.020845843	 0.156043
+C	-0.2798090037	 0.8823625361	-1.1258142131	-0.274318
+C	-1.0006361127	 2.1329806848	-0.589655988	-0.363521
+C	-1.5398860355	 2.9942554691	-1.6944182921	 0.445101
+C	-2.4666321434	 4.2384706964	-1.6206405906	-0.268261
+C	-2.3536219147	 3.7743177282	-3.0893357256	 0.054773
+C	-0.8257820782	 3.6212786595	-2.9265212851	-0.255571
+O	-2.5194683496	 2.3735641484	-2.6335696539	-0.347301
+H	-0.8282958764	-0.4029555561	 0.5911759949	 0.071364
+H	 0.6410099181	 1.1410226783	-1.6553508415	 0.12362
+H	-0.9535035158	 0.3782142338	-1.8320820145	 0.145545
+H	-1.8387386986	 1.8356572347	 0.0535200557	 0.118505
+H	-0.320192446	 2.7319455349	 0.0271848111	 0.121385
+H	-3.4361556582	 4.0635129833	-1.15230228	 0.107467
+H	-2.0205857088	 5.1971739535	-1.3437649746	 0.096286
+H	-2.9287327955	 4.0858365859	-3.9603227684	 0.099104
+H	-0.3574912781	 2.9098119894	-3.6075642492	 0.10967
+H	-0.2284221635	 4.5231929445	-2.7698818375	 0.096765
+19
+0 957	5.1563632	0.7809491	0.766166	2.7461	77.12	-0.25825	-0.02901	0.22923999999999997	1513.3893	0.155473	-422.507393	-422.498691	-422.497747	-422.542437	31.352
+O	-2.4188725854	-3.8940508929	 0.6664759839	-0.237779
+C	-2.3158394042	-2.7647052498	 0.2684948417	 0.136978
+C	-1.0043052681	-1.9996313975	 0.2480259634	-0.182141
+O	-1.2572647486	-0.7149562349	-0.2742447416	-0.301939
+C	-0.1486239334	 0.1046083234	-0.3556873002	 0.456805
+C	 1.1540040501	-0.1034533261	-1.1957445769	-0.282805
+C	 1.2769761451	 1.2864573817	-0.5073625816	-0.050534
+C	-0.2088730954	 1.5474788024	-0.8975285602	-0.274599
+C	 0.7577668973	 0.6312821745	 0.8048766932	-0.282795
+H	-3.1792198145	-2.1818956433	-0.1210009459	 0.099118
+H	-0.6030433737	-1.9565622771	 1.2725757479	 0.130426
+H	-0.2783174881	-2.5576083787	-0.3637766455	 0.130384
+H	 1.8504122243	-0.8759922503	-0.8593180587	 0.092874
+H	 1.0380022991	-0.1043875241	-2.2825695677	 0.096545
+H	 2.1066569075	 1.9821237224	-0.5985376049	 0.087045
+H	-0.7563682587	 2.2731755993	-0.2910054456	 0.096497
+H	-0.4251791583	 1.6591403444	-1.9628919934	 0.096489
+H	 1.4254174592	-0.0879615229	 1.286457814	 0.092879
+H	 0.2827190859	 1.2960779694	 1.5308376179	 0.096553
+19
+0 958	3.5877092	1.0905288	1.0265503	1.787	76.32	-0.27973	0.0096	0.28933	1224.4305	0.157678	-422.535727	-422.527546	-422.526602	-422.569639	30.299
+O	 1.1621449362	 0.9079051608	-0.50646152	-0.307441
+C	 0.2384012092	 0.1454255354	-0.5885642712	 0.193113
+O	-1.0614210826	 0.4443661545	-0.4613185424	-0.204
+C	-1.3868591663	 1.8317002303	-0.2006078352	-0.228087
+C	-1.6452215054	 2.5792760177	-1.4784383575	 0.344414
+C	-2.693831188	 2.2479598873	-2.5845152748	-0.245882
+C	-1.9827515139	 3.5498400217	-3.0521725686	-0.047586
+C	-2.1103979088	 4.0641983521	-1.5890279153	-0.262216
+C	-0.6393272272	 2.8899578096	-2.6292809324	-0.236913
+H	 0.3287347752	-0.935750388	-0.7777233297	 0.110546
+H	-2.2867446337	 1.796483723	 0.4194906772	 0.115963
+H	-0.5693606379	 2.2888701331	 0.3624880664	 0.135567
+H	-2.5101448977	 1.3465121819	-3.1747887892	 0.094093
+H	-3.7471973501	 2.3360324462	-2.3024662469	 0.087913
+H	-2.1798416802	 4.1136127876	-3.9638173374	 0.074545
+H	-1.3926016627	 4.8251846506	-1.2701551149	 0.094217
+H	-3.1196926912	 4.2879782467	-1.2309288441	 0.089781
+H	-0.3010661399	 2.0387059183	-3.2255584522	 0.093285
+H	 0.1885681951	 3.5594629211	-2.3833062318	 0.098687
+19
+0 959	4.9657746	0.7468747	0.7075577	3.3071	77.55	-0.23955	-0.02006	0.21949000000000002	1590.8485	0.155237	-422.520898	-422.511893	-422.510949	-422.555978	32.176
+O	 1.1788375305	-0.5511135214	 0.0895803262	-0.236888
+C	 0.0691187837	-0.0987545172	-0.0250501267	 0.154531
+C	-0.3867475297	 0.816310162	-1.1359072296	-0.269126
+C	-0.979649268	 2.1321432574	-0.588123698	-0.328715
+C	-1.5947834015	 2.9480305675	-1.6804563496	 0.506095
+C	-0.9126843136	 3.9334361942	-2.5802002106	-0.328751
+C	-2.1424212758	 4.3546786138	-1.7934845581	-0.20561
+C	-3.365659653	 3.6894687239	-2.4089184089	-0.084266
+O	-2.7316514028	 2.3809486154	-2.353759128	-0.328333
+H	-0.7249931676	-0.3371798395	 0.7227272094	 0.070047
+H	 0.4523032129	 1.0045174823	-1.8107241514	 0.12431
+H	-1.1744947169	 0.2965120137	-1.6986738192	 0.143133
+H	-1.7431477479	 1.9038441936	 0.1662666361	 0.112493
+H	-0.1984642132	 2.7207072568	-0.0944621004	 0.117474
+H	 0.0207230053	 4.3440760189	-2.2073433194	 0.116914
+H	-0.9645072454	 3.8069249934	-3.6584504649	 0.115888
+H	-2.1441425265	 5.1738211371	-1.0871877839	 0.103282
+H	-4.253275941	 3.712179905	-1.7668333346	 0.110458
+H	-3.6408626093	 3.973595883	-3.4315574685	 0.107065
+19
+0 960	5.1619152	0.7084039	0.6736563	1.0768	76.89	-0.2377	-0.0255	0.2122	1637.0749	0.155156	-422.515999	-422.506955	-422.506011	-422.551253	32.162
+O	 0.0741641614	-1.167342659	 0.1940182108	-0.233793
+C	 0.3076776271	-0.0091965782	-0.0359351567	 0.15797
+C	-0.3210254288	 0.8001687215	-1.1461311517	-0.267024
+C	-1.0516486996	 2.0481011548	-0.602378952	-0.341495
+C	-1.6061649586	 2.9132334998	-1.6972599787	 0.304083
+C	-2.9416459172	 2.6767537266	-2.3834504962	-0.340821
+C	-2.6683049089	 3.9900495392	-1.7175089523	 0.037513
+O	-1.9084776529	 4.8423099484	-2.5771321831	-0.284143
+C	-0.8047338006	 3.8985333582	-2.5516393457	-0.127096
+H	 1.0295116509	 0.5640473683	 0.5941048757	 0.069998
+H	 0.4864157664	 1.1240371746	-1.8188039574	 0.120244
+H	-1.0007047328	 0.158496326	-1.7129862161	 0.1278
+H	-1.8660782022	 1.7277040126	 0.0582491684	 0.116735
+H	-0.3599981055	 2.6339069755	 0.01821017	 0.107443
+H	-3.0206239318	 2.6354030422	-3.4666386003	 0.116941
+H	-3.6083707217	 2.0086555178	-1.8454937241	 0.116537
+H	-3.2711403973	 4.4515581434	-0.943399533	 0.107986
+H	-0.5005443672	 3.5837004529	-3.5570917302	 0.1062
+H	 0.0547613893	 4.3296143754	-2.0229159375	 0.104922
+19
+0 961	5.209258	0.7278363	0.6908001	2.8441	77.24	-0.2495	-0.02278	0.22672	1621.044	0.154968	-422.529509	-422.520412	-422.519468	-422.564822	32.335
+O	 1.0652135278	-0.6996494402	 0.1641036999	-0.234704
+C	-0.0153114851	-0.1884855778	 0.0231505397	 0.154987
+C	-0.3856979123	 0.7722318282	-1.0819944651	-0.270262
+C	-0.9015565063	 2.1146770475	-0.5205626854	-0.341636
+C	-1.4082574169	 3.014837498	-1.6036990942	 0.448414
+C	-0.6113009084	 3.8164275288	-2.6535202946	-0.290333
+C	-1.8010367134	 4.8391164315	-2.7068784314	-0.235882
+C	-2.5258848599	 3.9749777383	-1.6674901285	-0.050183
+O	-2.652086751	 2.6598780517	-2.2304171621	-0.29395
+H	-0.8455011317	-0.3993114301	 0.7391314108	 0.071512
+H	 0.4822702683	 0.912123924	-1.7321591071	 0.124583
+H	-1.1926698891	 0.3152524529	-1.6711153775	 0.139565
+H	-1.7157485874	 1.929075671	 0.1897977835	 0.116314
+H	-0.0977152084	 2.6197142201	 0.0281392805	 0.117436
+H	 0.3039914772	 4.2606797288	-2.254468356	 0.108073
+H	-0.3836820762	 3.2750197334	-3.5744449411	 0.111603
+H	-1.5223872007	 5.8262069196	-2.3308700882	 0.107966
+H	-2.320359033	 4.9439298824	-3.6619958613	 0.114626
+H	-3.2610225635	 4.2620188421	-0.9234371221	 0.10187
+19
+0 962	5.2211687	0.7636277	0.7293556	2.6848	76.99	-0.25228	-0.02849	0.22379	1563.1397	0.154669	-422.516694	-422.507578	-422.506634	-422.552024	32.448
+O	 2.4206308537	 0.0113441789	 1.4643535312	-0.237867
+C	 1.5256481272	 0.2993796593	 0.7154980947	 0.136667
+C	 0.0577327034	 0.0885311246	 1.039506194	-0.17668
+O	-0.7045785562	 0.6380203753	-0.0154538953	-0.293134
+C	-2.064722382	 0.4219083237	 0.1000084393	 0.465374
+C	-2.6893209841	-0.9059335827	-0.2291210507	-0.333425
+C	-3.0784066367	 0.3257700281	-1.0232533645	-0.136332
+C	-4.0727574629	 1.1643104413	-0.2090349677	-0.217098
+C	-3.0110051825	 1.2924307147	 0.9371984671	-0.301451
+H	 1.7009858758	 0.7421606696	-0.2897948369	 0.097762
+H	-0.1297413687	-0.9911669238	 1.1530225054	 0.128365
+H	-0.1670940304	 0.5627165633	 2.0069141517	 0.129883
+H	-2.0291746718	-1.5869732296	-0.7570367724	 0.115991
+H	-3.4030273106	-1.3854252694	 0.4380072232	 0.105201
+H	-2.9251771298	 0.3770120211	-2.0938072521	 0.097481
+H	-4.3089774782	 2.1270105819	-0.6662651541	 0.109601
+H	-5.007903862	 0.6601136825	 0.0536608869	 0.100769
+H	-2.6412646177	 2.3157332795	 1.0347036449	 0.112633
+H	-3.2879227463	 0.9153257616	 1.9267809752	 0.096258
+19
+0 963	3.9216857	1.023952	0.9132724	1.9286	76.21	-0.25878	0.01107	0.26985000000000003	1303.9313	0.157204	-422.551918	-422.543375	-422.542431	-422.585989	31.29
+O	 1.1489379703	 1.0098617161	-0.3164361621	-0.310027
+C	 0.2803526798	 0.1920906557	-0.4618261106	 0.193557
+O	-1.039461141	 0.4018155235	-0.4042980468	-0.205919
+C	-1.4759838721	 1.7696740322	-0.1548086409	-0.206346
+C	-1.7797931739	 2.4884552549	-1.4264859691	 0.366529
+C	-0.7053007061	 3.1345303742	-2.2626960332	-0.316346
+C	-1.7847351616	 4.0035541595	-1.6858443503	-0.105658
+C	-3.0679700144	 3.8747421935	-2.5163715699	-0.21894
+C	-3.0615660865	 2.3314469964	-2.2602016832	-0.29034
+H	 0.4552131592	-0.877387286	-0.6589674343	 0.109039
+H	-2.3688889273	 1.6558669812	 0.4660410033	 0.112868
+H	-0.6973600226	 2.284342666	 0.4125239856	 0.134344
+H	 0.2657765451	 3.1999987016	-1.7842960292	 0.136732
+H	-0.6677104815	 2.9498896825	-3.3344328745	 0.104816
+H	-1.5580161453	 4.8059033863	-0.9933887356	 0.089614
+H	-3.9297911177	 4.3654518166	-2.0592529477	 0.104827
+H	-2.9926825965	 4.2034244459	-3.5579103494	 0.099399
+H	-3.9186015216	 2.0083244301	-1.6634195334	 0.102521
+H	-2.9853546362	 1.6812701899	-3.1373055886	 0.099331
+19
+0 964	5.4516135	0.6513229	0.616872	1.5993	80.4	-0.23427	-0.02763	0.20664000000000002	1768.1172	0.155527	-422.563726	-422.554292	-422.553348	-422.599982	32.165
+O	 0.5141402456	-1.0631376273	 0.1869820647	-0.232275
+C	 0.4547212181	 0.1341324353	 0.0837523326	 0.160223
+C	-0.1593635721	 0.8767458137	-1.0809308988	-0.270394
+C	-1.250029048	 1.8690836551	-0.610294142	-0.333018
+C	-1.8143718468	 2.6961955999	-1.7241036903	 0.319986
+C	-3.047513717	 2.6809655138	-2.2238863902	-0.211314
+C	-3.1772290391	 3.6905012526	-3.3261743303	-0.101783
+O	-1.8891768399	 4.2940277762	-3.4324820658	-0.263161
+C	-1.0092284296	 3.7390102176	-2.4641824535	-0.14943
+H	 0.86445579	 0.798577277	 0.8821134349	 0.0708
+H	 0.6481572636	 1.4324909889	-1.5776093629	 0.125467
+H	-0.5620047645	 0.1522762474	-1.7934268562	 0.130281
+H	-2.0569950496	 1.3114880988	-0.1236406776	 0.122346
+H	-0.8164705849	 2.5292892561	 0.154803294	 0.11323
+H	-3.8655569912	 2.0500475702	-1.8981127318	 0.10222
+H	-3.4541375296	 3.2340585977	-4.2897814499	 0.107088
+H	-3.9350483915	 4.459627956	-3.10562281	 0.105843
+H	-0.1245528794	 3.3170224149	-2.9680053174	 0.102836
+H	-0.642941634	 4.5285535661	-1.7859643094	 0.101058
+19
+0 965	3.8233602	0.9344835	0.8172614	1.9098	79.22	-0.24167	0.00556	0.24723	1420.0897	0.15756	-422.595567	-422.586695	-422.585751	-422.630758	31.389
+O	 1.1412982814	 1.4198194149	-0.1576270493	-0.310742
+C	 0.5308046598	 0.4951382608	 0.3065192508	 0.196512
+O	-0.7802918496	 0.4489164338	 0.571704737	-0.206394
+C	-1.5640231237	 1.6338510275	 0.2468913271	-0.208987
+C	-1.8368464974	 2.4546021759	 1.4633532602	 0.34823
+C	-3.0465161554	 2.7493415578	 1.9442336645	-0.169233
+C	-2.9874396232	 3.6913716403	 3.1203576607	-0.244772
+C	-1.4846495606	 3.6722516255	 3.5049449055	-0.209867
+C	-0.7424759015	 3.1514734646	 2.2481369141	-0.297407
+H	 0.9752400573	-0.4731300826	 0.586192756	 0.110541
+H	-1.0108727182	 2.2034833836	-0.505163039	 0.141157
+H	-2.4900742773	 1.2509495176	-0.1863972035	 0.117962
+H	-3.9808266598	 2.3964710173	 1.5188769849	 0.089029
+H	-3.3237725928	 4.6957230127	 2.8251889605	 0.108145
+H	-3.6380368481	 3.3837834136	 3.9467282922	 0.105023
+H	-1.1197024949	 4.6468753673	 3.8376160225	 0.099862
+H	-1.3326734077	 2.9717811627	 4.3319997749	 0.107333
+H	-0.3106753307	 3.9666541942	 1.6507874063	 0.112533
+H	 0.0920738824	 2.4893276024	 2.4996967547	 0.111074
+19
+0 966	5.8388595	0.6845194	0.6757617	2.8547	77.35	-0.24449	-0.02037	0.22412	1658.0745	0.155525	-422.494312	-422.485645	-422.484701	-422.529095	31.251
+O	 0.3456354775	-1.1682175165	-0.3430462225	-0.236949
+C	 0.4581418421	-0.006365615	-0.0485080257	 0.158791
+C	-0.220290811	 0.6623066829	 1.1247626643	-0.27297
+C	-1.0702230158	 1.8674496343	 0.6775154951	-0.246366
+C	-1.7092613263	 2.5942603896	 1.8478164351	 0.031128
+C	-0.8553543296	 3.5922307494	 2.6874960866	 0.046926
+C	-2.1514616501	 4.2869682339	 3.1641336317	-0.222372
+C	-2.2291609992	 4.0458236805	 1.6393676706	 0.030595
+O	-0.8255623516	 4.5154389198	 1.5274333119	-0.312497
+H	 1.0921481737	 0.6798569146	-0.6588154575	 0.073135
+H	-0.8184280139	-0.0858205685	 1.6538009788	 0.118764
+H	 0.568970474	 1.0132135872	 1.8055760568	 0.118867
+H	-0.4523992845	 2.5793560736	 0.1215551792	 0.125977
+H	-1.8577136765	 1.5179569327	-0.0020596688	 0.109498
+H	-2.3687305789	 1.9441827908	 2.4332936016	 0.074282
+H	 0.081192605	 3.4315870541	 3.2231856893	 0.095015
+H	-2.8315343451	 3.730243263	 3.8135317956	 0.098483
+H	-2.0299059348	 5.3295584125	 3.4576865727	 0.112586
+H	-2.9445944251	 4.426542181	 0.9094844452	 0.097106
+19
+0 967	5.7896298	0.7378754	0.7295667	2.747	77.37	-0.25763	-0.02864	0.22899000000000003	1572.6675	0.155786	-422.500965	-422.492376	-422.491432	-422.535753	30.861
+O	-3.6482340931	 1.0878149803	-3.2588408126	-0.23757
+C	-2.7801985536	 1.6064281334	-2.6092823937	 0.138557
+C	-1.7564541204	 0.8300723676	-1.7990970647	-0.160324
+O	-0.8272587256	 1.745084657	-1.2736565441	-0.272805
+C	 0.0877519827	 1.1738250744	-0.3768947699	 0.200423
+C	 1.2794856325	 2.067377593	 0.0320476554	-0.088794
+C	 1.9867282566	 0.7505822517	 0.4675608753	-0.223338
+C	 1.3545761158	 0.4320873807	-0.9167140228	-0.090632
+C	 1.872204776	 1.824143957	-1.3907772809	-0.217159
+H	-2.6563961534	 2.7097386275	-2.540614241	 0.097396
+H	-2.2878138597	 0.28369603	-1.000487166	 0.122498
+H	-1.2845697893	 0.0746620085	-2.4466694395	 0.127241
+H	-0.4467604261	 0.6663372789	 0.4399686503	 0.063721
+H	 1.2297399145	 3.0072701528	 0.5822647495	 0.076584
+H	 3.0773778127	 0.7836176084	 0.4964872474	 0.100623
+H	 1.5774569601	 0.2282971501	 1.3374020013	 0.092339
+H	 1.397095754	-0.5150757836	-1.4558909958	 0.072606
+H	 2.9561802184	 1.926886468	-1.4844778715	 0.090877
+H	 1.344783338	 2.2879425944	-2.2235905468	 0.107757
+19
+0 968	3.5836316	1.0932809	0.9987648	1.7197	76.08	-0.27916	0.01022	0.28938	1237.0491	0.158078	-422.529662	-422.521613	-422.520669	-422.563409	29.902
+O	 1.1107329604	 0.8612716306	 0.7584172783	-0.307665
+C	 0.1473930632	 0.1786948218	 0.5361818251	 0.188875
+O	-1.0675692339	 0.6040412352	 0.1715212237	-0.205172
+C	-1.2396434741	 2.0390036314	 0.0319289769	-0.141095
+C	-1.6985671675	 2.6460403971	 1.3437270256	 0.04915
+C	-1.8315986553	 4.1948789086	 1.5046304114	-0.065029
+C	-1.8403913057	 3.9414403128	 3.0408779245	-0.222468
+C	-0.6959094379	 3.0496384963	 2.4758195878	-0.032651
+C	-0.2791488998	 4.2769227602	 1.6150438507	-0.220839
+H	 0.128978837	-0.9209606335	 0.5958113888	 0.110436
+H	-0.3092180592	 2.4653392872	-0.3428436265	 0.132845
+H	-2.0182064648	 2.1422826032	-0.7286824382	 0.11626
+H	-2.5704732446	 2.0865655368	 1.7023572357	 0.070014
+H	-2.4943182715	 4.8557728731	 0.9426691794	 0.069418
+H	-1.5359021168	 4.781467032	 3.6701654136	 0.091195
+H	-2.7135821539	 3.4262401136	 3.4512048696	 0.089191
+H	-0.0373667547	 2.3839810276	 3.0323156075	 0.083709
+H	 0.1154040963	 5.1346715848	 2.1661535308	 0.091884
+H	 0.3140515227	 4.0918135312	 0.7191686653	 0.101942
+19
+0 969	6.8989407	0.6146505	0.5958718	2.6149	77.3	-0.23889	-0.02373	0.21516	1815.0095	0.155259	-422.513636	-422.504603	-422.503659	-422.548985	31.86
+O	 0.2130931948	-1.144174886	 0.2896070101	-0.23407
+C	 0.3179109439	 0.0357829668	 0.0772158233	 0.15888
+C	-0.2493897412	 0.7592933846	-1.1220666675	-0.269383
+C	-1.1872301165	 1.9101178323	-0.7070670368	-0.243072
+C	-1.6708672346	 2.720087474	-1.8919960817	-0.03045
+C	-2.1564707435	 4.1306610157	-1.6087698874	-0.154084
+C	-2.5900742097	 4.7848920955	-2.9157770698	-0.096305
+O	-1.3272257056	 4.4406937272	-3.5535724506	-0.288343
+C	-0.8460093407	 3.8959652515	-2.3248463186	 0.103149
+H	 0.8621536747	 0.6985308472	 0.7926651713	 0.06819
+H	 0.5942026027	 1.1758831443	-1.6906523253	 0.123323
+H	-0.7630344839	 0.0338241128	-1.7592543876	 0.125189
+H	-2.0464753536	 1.4994587172	-0.1623768501	 0.118771
+H	-0.6657334248	 2.5709768344	-0.0011571193	 0.102002
+H	-2.1680332421	 2.1513723058	-2.6770987818	 0.091948
+H	-2.3639661758	 4.4923056404	-0.6103647207	 0.100916
+H	-3.4523817435	 4.3566977663	-3.4405622912	 0.107774
+H	-2.6983430396	 5.8731742916	-2.8489340329	 0.112444
+H	 0.1889561791	 4.0769793486	-2.0541058032	 0.103122
+19
+0 970	6.805287	0.667837	0.6394442	2.8832	77.28	-0.25202	-0.02818	0.22384	1727.4505	0.15472	-422.511669	-422.502557	-422.501613	-422.547094	32.111
+O	 3.6681643775	 0.0694128861	-0.3962498735	-0.238114
+C	 2.6544373809	 0.0945930811	 0.2491308627	 0.138752
+C	 1.3202299557	 0.5682265078	-0.2990233448	-0.152253
+O	 0.3616041522	 0.4532958213	 0.7272332187	-0.266406
+C	-0.9147160812	 0.8740758903	 0.3507286435	 0.128914
+C	-2.0133341202	 0.2268976649	 1.1275558355	-0.082691
+C	-3.3582911304	 0.8654329695	 0.7667599355	-0.237863
+C	-3.1180812222	 0.491622731	-0.7367111947	-0.236844
+C	-1.7797074557	-0.1444925815	-0.3478634465	-0.084533
+H	 2.6092745128	-0.2301706627	 1.3120217887	 0.097518
+H	 1.4293403863	 1.6099673028	-0.6433034646	 0.124342
+H	 1.0585129553	-0.0371123977	-1.181052207	 0.126098
+H	-0.9697881428	 1.9316362107	 0.0717641253	 0.078086
+H	-1.781298328	-0.3407002622	 2.0202403704	 0.096725
+H	-4.2094127927	 0.3302922406	 1.1921758701	 0.110496
+H	-3.4638247433	 1.9299690133	 1.0013221119	 0.099047
+H	-3.848142261	-0.2317866369	-1.1050351283	 0.110455
+H	-3.0641123517	 1.3230463883	-1.4480025718	 0.097462
+H	-1.3452629716	-1.0465888267	-0.7617907414	 0.090808
+19
+0 971	3.9267672	0.943751	0.8601409	1.68	76.14	-0.26003	0.00954	0.26957	1378.0849	0.157424	-422.548913	-422.540439	-422.539495	-422.582817	30.965
+O	 0.9863266456	 0.9432684425	-0.2867916648	-0.307277
+C	 0.0710590335	 0.1731098934	-0.4038734888	 0.191527
+O	-1.2336965963	 0.4658735424	-0.3905143588	-0.208568
+C	-1.5987149213	 1.8614147603	-0.2131307968	-0.123487
+C	-1.8486815278	 2.5380684104	-1.5325825947	-0.019822
+C	-0.6609599251	 3.1274832255	-2.250474111	-0.043196
+C	-1.0923891153	 3.6646079704	-3.6206133274	-0.240511
+C	-2.1331225603	 4.5947317011	-2.9096814597	-0.239017
+C	-1.6777654178	 4.035612654	-1.5563305295	-0.061121
+H	 0.1825764592	-0.9148547884	-0.5329354376	 0.110837
+H	-2.5062294047	 1.8263331301	 0.3947696933	 0.119573
+H	-0.8046147952	 2.363872947	 0.3441012996	 0.133545
+H	-2.6539665683	 2.0936226297	-2.1177094795	 0.080559
+H	 0.3461164432	 2.8736744524	-1.9459737607	 0.115314
+H	-0.3079658218	 4.2349159252	-4.1223622615	 0.107411
+H	-1.4870074428	 2.9235506061	-4.3237108869	 0.096533
+H	-1.8920513909	 5.6522952511	-3.0358383009	 0.106604
+H	-3.1885352748	 4.4458544468	-3.16090038	 0.095957
+H	-1.5725822793	 4.6061422799	-0.6404313744	 0.085139
+19
+0 972	6.6955115	0.5798038	0.557325	0.2258	77.88	-0.24787	-0.02864	0.21923	1894.0668	0.154066	-422.572438	-422.56284	-422.561896	-422.608791	33.445
+O	 0.0752300724	-1.1774364461	 0.2702863678	-0.233475
+C	 0.2938498193	-0.0257401083	-0.0012868895	 0.160199
+C	-0.3143809032	 0.7237088058	-1.164879373	-0.274237
+C	-1.0651791395	 1.9860951236	-0.7045737415	-0.220166
+C	-1.5935330558	 2.8209898639	-1.8657810385	 0.029232
+C	-2.2757384766	 4.1804124793	-1.5068171442	-0.372553
+C	-1.3820742591	 4.8514600299	-2.5619603619	 0.406743
+O	-1.380846252	 5.9258284747	-3.0863677462	-0.284441
+C	-0.5439729224	 3.5751516427	-2.7476624436	-0.358226
+H	 0.9856895131	 0.5880162803	 0.6240595256	 0.070559
+H	 0.5074416662	 1.019133521	-1.8336645771	 0.122368
+H	-0.9716541391	 0.0430686812	-1.7140181508	 0.123877
+H	-1.9005073574	 1.6940167238	-0.0559207328	 0.118008
+H	-0.3977454087	 2.6060405756	-0.0892145266	 0.100921
+H	-2.2534762316	 2.2117233092	-2.4907441213	 0.087625
+H	-3.3536890666	 4.2740282109	-1.6603864431	 0.13297
+H	-2.0391044856	 4.5298974429	-0.4948466611	 0.130368
+H	-0.3953923674	 3.2453262634	-3.7788072552	 0.132828
+H	 0.4386218143	 3.6681359661	-2.2690769471	 0.127402
+19
+0 973	3.4237606	0.6470245	0.5711664	3.0207	79.37	-0.25372	-0.02797	0.22575	1868.1552	0.154156	-422.563698	-422.553854	-422.55291	-422.600291	33.815
+O	 0.5222477459	-1.0143484285	 0.1057774821	-0.23197
+C	 0.5499902892	 0.1690868148	-0.1095691413	 0.158086
+C	-0.1858539979	 0.8665395957	-1.231112094	-0.268738
+C	-1.1363798758	 1.9557353088	-0.6988256242	-0.229487
+C	-1.7978098406	 2.746163692	-1.8079421082	-0.001328
+C	-2.2824979417	 4.1379462136	-1.5942317005	-0.314116
+C	-1.0396428136	 3.9072261008	-2.4477368674	-0.090771
+C	-1.142800344	 4.0944100439	-3.9105400996	 0.163531
+O	-0.2541121674	 4.4895440666	-4.622993267	-0.265828
+H	 1.1434135613	 0.8552147584	 0.5412219079	 0.071057
+H	 0.564382482	 1.3372421517	-1.8823187341	 0.129084
+H	-0.7239806735	 0.1157818838	-1.8169520239	 0.124454
+H	-1.9099745333	 1.4903470039	-0.0753760766	 0.122304
+H	-0.5827379203	 2.6414087035	-0.0445280324	 0.106337
+H	-2.3814851185	 2.1451847289	-2.5023358248	 0.1009
+H	-3.1871488453	 4.4565861976	-2.1017601614	 0.128187
+H	-2.1201730501	 4.6053175716	-0.6292009865	 0.129801
+H	-0.0780812296	 4.1753887596	-2.0223513447	 0.105153
+H	-2.1445586068	 3.8294824032	-4.3290794134	 0.063341
+19
+0 974	4.9658262	0.6858548	0.6499092	2.0993	76.49	-0.25356	-0.02467	0.22889	1689.0658	0.155143	-422.522851	-422.513871	-422.512927	-422.558078	31.909
+O	 1.3690419726	-0.2075464211	 0.1890343745	-0.23453
+C	 0.2143501448	 0.090621303	 0.0273482218	 0.159591
+C	-0.3321532482	 0.8409759889	-1.1656012842	-0.277466
+C	-1.0604689015	 2.1303829248	-0.7407158037	-0.224861
+C	-1.7309002855	 2.849779157	-1.9078352862	-0.005231
+C	-2.3587227004	 4.2446002386	-1.5364450869	-0.286459
+C	-1.3692581696	 4.9007199176	-2.50782514	 0.038438
+O	-1.5885616194	 4.3147613307	-3.7962825574	-0.246268
+C	-0.776395176	 3.6009093869	-2.8611675884	 0.028155
+H	-0.5568843425	-0.174153058	 0.789907116	 0.070432
+H	 0.4919416868	 1.0443334926	-1.8550885772	 0.124256
+H	-1.0478559742	 0.1790000153	-1.6747904425	 0.121689
+H	-1.8210119583	 1.8877131627	 0.0131209791	 0.108083
+H	-0.346487765	 2.8062186339	-0.2518252136	 0.111093
+H	-2.408738074	 2.1717894484	-2.4367222772	 0.082599
+H	-3.4142537159	 4.3948660246	-1.7744996411	 0.112636
+H	-2.1771781906	 4.5097426835	-0.491129946	 0.106819
+H	-0.9403408451	 5.895733469	-2.4849594394	 0.105248
+H	 0.2275042521	 3.3364961016	-3.1750202674	 0.105774
+19
+0 975	6.7543129	0.6711259	0.6518943	3.5685	77.36	-0.24287	-0.01852	0.22435	1694.3193	0.155318	-422.520237	-422.51135	-422.510406	-422.555087	31.849
+O	 0.3954701753	-1.0334023632	-0.1581022499	-0.238295
+C	 0.4474016283	 0.1413478927	 0.0999923776	 0.157146
+C	-0.3042689408	 0.8219652777	 1.2181397486	-0.274581
+C	-1.1672496228	 1.9872367351	 0.7046634564	-0.218732
+C	-1.7604008251	 2.7954821078	 1.8469221896	 0.131195
+O	-0.7049359375	 3.4112580034	 2.6503693552	-0.302669
+C	-1.1419418578	 4.7115714784	 2.2442158898	 0.110589
+C	-2.530433069	 4.9833235019	 2.7268488413	-0.304382
+C	-2.3163458761	 4.1671770124	 1.4675375987	-0.138702
+H	 1.0834158431	 0.8314177733	-0.5050395178	 0.068769
+H	-0.9026719525	 0.0741790956	 1.7465752608	 0.119207
+H	 0.4346353277	 1.2358305	 1.9182457324	 0.142491
+H	-0.5613592566	 2.6549330232	 0.079456466	 0.107837
+H	-1.9845659311	 1.6083995643	 0.0775868322	 0.110994
+H	-2.4079164073	 2.1664779705	 2.4727009045	 0.08431
+H	-0.3866471023	 5.457139242	 2.0250200888	 0.106161
+H	-2.8811994592	 4.5112865368	 3.6405591558	 0.118763
+H	-2.8989342862	 5.9901798034	 2.5553588006	 0.118109
+H	-2.7184443398	 4.4381303148	 0.5004414994	 0.10179
+19
+0 976	6.5612211	0.6913868	0.667635	2.8836	77.07	-0.25422	-0.02753	0.22669	1666.0906	0.154865	-422.516655	-422.507636	-422.506691	-422.55189	31.989
+O	-0.3514627318	-3.5829666551	-3.7388956399	-0.238328
+C	 0.1575234559	-2.4944036371	-3.7140914087	 0.139678
+C	 0.1431639028	-1.5848910275	-2.4978442113	-0.15598
+O	 0.7638824796	-0.3750204136	-2.8497326793	-0.265667
+C	 0.8854673149	 0.5369236896	-1.7806816703	 0.159327
+C	-0.4302932627	 1.3328770175	-1.4645743692	-0.267722
+C	 0.2633833083	 2.6169348163	-1.9377592982	-0.036282
+C	 1.5160547009	 2.8428093351	-1.1409242784	-0.281526
+C	 1.5376302272	 1.8322344282	-2.2544802502	-0.074077
+H	 0.6912802118	-2.0591606339	-4.5875472948	 0.096902
+H	-0.9002221333	-1.4470459147	-2.1711294303	 0.124331
+H	 0.6729818462	-2.0922380544	-1.6728177512	 0.122201
+H	 1.367770311	 0.0389781274	-0.9238555922	 0.063435
+H	-1.226966633	 1.0101066585	-2.1389009431	 0.112921
+H	-0.8003884589	 1.3245432464	-0.4338755994	 0.094454
+H	-0.2059272753	 3.4118334138	-2.5039512878	 0.088748
+H	 2.0462537853	 3.7663318309	-1.3493993842	 0.116292
+H	 1.5754149834	 2.5228484364	-0.1022417056	 0.105825
+H	 2.2102678277	 1.898751806	-3.1001618659	 0.095466
+19
+0 977	3.3883529	1.0418697	0.9176305	1.6388	75.85	-0.25868	0.0087	0.26738	1309.2399	0.157285	-422.549626	-422.541164	-422.54022	-422.583658	30.985
+O	 1.1779407088	 0.9542864969	 0.4448232505	-0.306822
+C	 0.2361139606	 0.2165615111	 0.5559151436	 0.189038
+O	-1.0585169434	 0.5532672062	 0.5214667395	-0.210848
+C	-1.3846908702	 1.9499482156	 0.3104135482	-0.107761
+C	-1.7038829089	 2.6440804742	 1.6211487278	 0.004316
+C	-2.0704581139	 4.1550614135	 1.4165915756	-0.262855
+C	-0.8602966884	 4.5489581797	 2.2689051405	-0.029601
+C	-0.9465666337	 3.9089913804	 3.6257978156	-0.287744
+C	-0.4900848443	 3.075991828	 2.4625125798	-0.042488
+H	 0.3072641565	-0.8727765847	 0.7011750049	 0.111594
+H	-0.5525383815	 2.4343490822	-0.2062205277	 0.136896
+H	-2.2637099241	 1.9353554148	-0.3401003725	 0.116415
+H	-2.4482881821	 2.0498299967	 2.1637633514	 0.075493
+H	-1.9720748163	 4.4560446438	 0.3692674114	 0.103861
+H	-3.0521952045	 4.4781247043	 1.7782638805	 0.097749
+H	-0.210894652	 5.3943895607	 2.0781788377	 0.086942
+H	-0.1680928062	 4.1949172807	 4.3258365769	 0.112836
+H	-1.9149533988	 3.726639164	 4.0884886439	 0.102073
+H	 0.4849127423	 2.6081428722	 2.4260679424	 0.110906
+19
+0 978	4.7310259	0.7444026	0.7061923	2.9213	77.83	-0.24661	-0.02683	0.21978	1601.3704	0.155245	-422.561751	-422.55257	-422.551626	-422.597466	32.139
+O	-1.4460403716	-2.0974221924	-4.6501580824	-0.238632
+C	-0.8985330831	-1.5399099735	-3.7368150053	 0.140332
+C	-0.325270158	-0.135523448	-3.8285309511	-0.154598
+O	 0.1709402598	 0.2145041204	-2.5644911489	-0.261915
+C	 0.842335574	 1.4700466318	-2.5096429393	 0.136191
+C	 1.6024722878	 1.5193636908	-1.1631336683	-0.275692
+C	 0.7664297002	 2.4356150401	-0.3057451046	-0.054837
+C	-0.18293144	 3.0507867862	-1.0067940064	-0.054194
+C	-0.1556476497	 2.6627965477	-2.4646805809	-0.275253
+H	-0.7598016915	-2.0119123448	-2.7392912371	 0.09663
+H	 0.4682062025	-0.1316565826	-4.5967043523	 0.119595
+H	-1.1175843333	 0.5410803976	-4.1870774766	 0.122076
+H	 1.5223331657	 1.5413668833	-3.369975784	 0.066061
+H	 1.6981131079	 0.5062727576	-0.7587021934	 0.120744
+H	 2.620933387	 1.908474008	-1.2917559895	 0.107574
+H	 0.9532316077	 2.5720055795	 0.7533612177	 0.093784
+H	-0.8948335796	 3.7652172099	-0.609001813	 0.093828
+H	-1.140214888	 2.3701721479	-2.8471853256	 0.1105
+H	 0.1855407722	 3.4957463505	-3.0941715091	 0.107808
+19
+0 979	3.6702058	0.9568455	0.847198	1.882	76.85	-0.24109	0.00931	0.2504	1375.9135	0.157678	-422.594059	-422.585348	-422.584404	-422.628906	31.16
+O	 1.0102091759	 0.6008546849	 0.0060607397	-0.307592
+C	 0.1119186505	-0.0050137328	 0.5246194695	 0.192574
+O	-1.1291741379	 0.4377401916	 0.7630896251	-0.212274
+C	-1.4540143904	 1.7887175382	 0.3504540694	-0.108419
+C	-1.5603393266	 2.7116330867	 1.5551225251	 0.023272
+C	-2.0641248909	 4.1305590104	 1.1619262646	-0.278906
+C	-1.2880494021	 5.0423497199	 2.0814152078	-0.059901
+C	-0.299912436	 4.4045007736	 2.7049182689	-0.061078
+C	-0.226765113	 2.9463957476	 2.3215990695	-0.273052
+H	 0.1832588192	-1.043065836	 0.8853937349	 0.110293
+H	-0.6934656212	 2.135451517	-0.3530077214	 0.140279
+H	-2.4150415651	 1.7066309053	-0.1656114556	 0.116391
+H	-2.2832045483	 2.2740704226	 2.2523730255	 0.087037
+H	-1.8421500217	 4.3628918819	 0.1088086792	 0.105258
+H	-3.1502415556	 4.2277155704	 1.2715128911	 0.106212
+H	-1.5100045651	 6.0998488642	 2.1725628127	 0.092577
+H	 0.4094469548	 4.8627925624	 3.3853128175	 0.093196
+H	 0.6457349395	 2.7504145381	 1.6835610249	 0.129717
+H	-0.1274940661	 2.2823110838	 3.1875706617	 0.104416
+19
+0 980	3.9571212	0.6944034	0.6239372	2.8165	77.83	-0.24285	-0.03327	0.20958000000000002	1740.2039	0.154397	-422.572377	-422.562716	-422.561772	-422.608813	33.302
+O	 1.1970639364	-0.7262497909	 0.0080310917	-0.234354
+C	 0.0983778102	-0.2369399825	-0.0330900397	 0.160131
+C	-0.4172504878	 0.6473655027	-1.1466635582	-0.27922
+C	-0.9077434508	 2.0059675225	-0.6147456079	-0.21545
+C	-1.5036523628	 2.8947900187	-1.7011440142	-0.096361
+C	-0.5796600815	 3.597216229	-2.7499400053	-0.244664
+C	-1.3055063696	 4.9550016861	-2.5013277915	-0.337766
+C	-1.9753524403	 4.302050295	-1.2817852426	 0.386747
+O	-2.5404852457	 4.7190305288	-0.3131181957	-0.295293
+H	-0.6361656521	-0.4085270539	 0.7894262299	 0.073528
+H	 0.3740544957	 0.7644691197	-1.8927203595	 0.125322
+H	-1.2598464501	 0.1237130986	-1.6220857494	 0.118662
+H	-1.6645569595	 1.8519709832	 0.164340249	 0.124396
+H	-0.0738230723	 2.53235835	-0.1336715915	 0.115115
+H	-2.3322450186	 2.3750502826	-2.2012999697	 0.101888
+H	 0.4633927477	 3.6203964243	-2.4239311483	 0.11695
+H	-0.6214448487	 3.2082546871	-3.7676608377	 0.112223
+H	-0.697251653	 5.8397404836	-2.2986476134	 0.133202
+H	-2.0368635774	 5.2080942654	-3.275983776	 0.134943
+19
+0 981	5.2772055	0.7021373	0.6585039	3.8705	79.39	-0.23976	-0.01712	0.22264	1673.4834	0.155651	-422.566696	-422.557522	-422.556578	-422.602319	32.006
+O	 0.2686514679	-1.1184198855	-0.2046025604	-0.240232
+C	 0.3943671793	 0.0526572208	 0.0464919444	 0.156137
+C	-0.2846095706	 0.779120442	 1.1813068099	-0.270561
+C	-1.1108526502	 1.9763855668	 0.6823861428	-0.207464
+C	-1.6521027434	 2.8284162847	 1.8398209434	 0.088277
+O	-0.5683926005	 3.3151678354	 2.6396563107	-0.277208
+C	-0.6067476596	 4.7381302142	 2.725785807	-0.115237
+C	-1.7857721764	 5.1481734765	 1.8898832206	-0.094499
+C	-2.3830382453	 4.0691271172	 1.3991841944	-0.096437
+H	 1.0504630114	 0.7029026456	-0.5809619776	 0.067421
+H	-0.9006338954	 0.0665874666	 1.7379946245	 0.116919
+H	 0.4941395043	 1.164647795	 1.852927604	 0.139854
+H	-0.495105127	 2.6174792792	 0.0394921044	 0.104929
+H	-1.9548938375	 1.6240592894	 0.0764656898	 0.106943
+H	-2.2941219868	 2.1891390681	 2.4702353518	 0.084509
+H	-0.7126814928	 5.0459567573	 3.778162504	 0.109153
+H	 0.3411615491	 5.1621127619	 2.3599473422	 0.108374
+H	-2.0762509001	 6.1803135706	 1.7407312948	 0.110253
+H	-3.2623119763	 4.0385217643	 0.7684286795	 0.108869
+19
+0 982	5.6530926	0.7011295	0.6491567	3.1981	78.69	-0.25155	-0.02627	0.22527999999999998	1689.0883	0.155342	-422.561422	-422.552169	-422.551225	-422.597258	32.171
+O	-0.410654668	 5.5904759704	 2.4720099602	-0.239711
+C	-0.7252732523	 4.7725551294	 1.6491625958	 0.140768
+C	 0.0774682176	 3.5163366635	 1.357619201	-0.150012
+O	-0.4968107439	 2.8787781787	 0.2470353083	-0.265579
+C	 0.0530586204	 1.5986002885	-0.044675615	 0.117549
+C	 1.455197911	 1.6512000596	-0.710210257	-0.236417
+C	 1.4168925604	 0.59766885	-1.8468532873	-0.262126
+C	-0.0604063414	 0.3572913496	-2.0422928528	-0.060033
+C	-0.7951131504	 0.899481642	-1.0747072709	-0.091244
+H	-1.6453302294	 4.8638639827	 1.0306548857	 0.095799
+H	 1.1295372314	 3.7990419001	 1.1947432257	 0.122851
+H	 0.0539665997	 2.873740212	 2.2562943495	 0.118181
+H	 0.0787716889	 1.019503536	 0.8962007696	 0.070103
+H	 1.5731154847	 2.6531023965	-1.1352401222	 0.117496
+H	 2.2741652108	 1.4861856879	-0.0062892702	 0.099806
+H	 1.9164465279	 0.9400267114	-2.7600988734	 0.10985
+H	 1.9240401774	-0.3310482169	-1.5522259195	 0.112152
+H	-0.4508555101	-0.2262704762	-2.8690007278	 0.099232
+H	-1.8725050649	 0.8440042549	-0.9748328598	 0.101334
+19
+0 983	3.4146772	1.0128917	0.8831457	1.7858	77.08	-0.2453	0.00954	0.25484	1337.0581	0.157705	-422.594042	-422.585276	-422.584332	-422.62905	31.209
+O	 1.2703707964	 0.9551064307	-0.2344245183	-0.309295
+C	 0.3243238116	 0.236906987	-0.4148064107	 0.190859
+O	-0.963062976	 0.5976075044	-0.4800147329	-0.210187
+C	-1.2883421543	 1.9973660614	-0.2953246707	-0.091311
+C	-1.7164684871	 2.6317853693	-1.6230225871	-0.036223
+C	-0.5408217359	 2.9098285747	-2.605742889	-0.238553
+C	-0.2778661956	 4.4393567458	-2.5409980467	-0.249054
+C	-1.5141908486	 4.9784375243	-1.8650051729	-0.054928
+C	-2.2935361206	 4.0118295523	-1.3851974877	-0.084997
+H	 0.384302263	-0.8538658714	-0.5548976566	 0.110421
+H	-2.1144376928	 2.0059229425	 0.4214892189	 0.113546
+H	-0.4273803758	 2.5110422306	 0.1368091272	 0.141911
+H	-2.4566118538	 1.9570342663	-2.0711074253	 0.083061
+H	 0.3497323486	 2.3283343931	-2.359587198	 0.123846
+H	-0.8424335962	 2.630044894	-3.6188692125	 0.103458
+H	 0.6218540944	 4.6832065335	-1.9602340678	 0.115111
+H	-0.1211530473	 4.8730005334	-3.5353098137	 0.105488
+H	-1.7157483559	 6.0407856408	-1.7772195329	 0.094903
+H	-3.221082114	 4.1638380573	-0.8430203535	 0.091943
+19
+0 984	8.8296074	0.4327607	0.4207879	2.8079	80.9	-0.2538	-0.02381	0.22999000000000003	2455.8188	0.152487	-422.512457	-422.501628	-422.500683	-422.550452	36.006
+O	 1.3589027724	-0.509294815	 0.0125718656	-0.234136
+C	 0.2333162293	-0.0925787255	-0.0705472344	 0.161005
+C	-0.3009075201	 0.744631673	-1.2113668164	-0.27761
+C	-0.9536734755	 2.0424973827	-0.7101952341	-0.212624
+C	-1.5988015219	 2.8352690036	-1.8388737436	-0.036432
+O	-2.177274533	 3.998174182	-1.2853163845	-0.245474
+C	-2.787931313	 4.8184216798	-2.2625843703	-0.208698
+C	-3.3677265261	 5.9971517443	-1.633111736	 0.279633
+C	-3.8548141342	 6.9775937924	-1.140216337	-0.411139
+H	-0.5178694241	-0.3080422872	 0.726193698	 0.073104
+H	 0.5169623855	 0.9399217145	-1.9112158044	 0.124759
+H	-1.0562252249	 0.1376647765	-1.7332745581	 0.120837
+H	-1.721018917	 1.8154605765	 0.0393620948	 0.118204
+H	-0.2072162258	 2.6747851914	-0.217297736	 0.126691
+H	-0.8464083832	 3.1030386125	-2.6008298391	 0.092544
+H	-2.3669906272	 2.2249475609	-2.3458589333	 0.088243
+H	-2.0495152894	 5.1281854328	-3.0221870888	 0.119959
+H	-3.5744306606	 4.2596773524	-2.7989123964	 0.118865
+H	-4.2831657611	 7.8429578523	-0.698061816	 0.202268
+19
+0 985	11.5394599	0.4278245	0.4206164	2.2359	80.55	-0.25668	-0.02848	0.22820000000000001	2459.651	0.152711	-422.5178	-422.506986	-422.506042	-422.555784	35.99
+O	 8.0426316144	 1.395019151	 4.3414343889	-0.230963
+C	 7.1182012487	 0.6496722354	 4.1475711982	 0.153615
+C	 6.4577507234	 0.4188877812	 2.8074361174	-0.281086
+C	 4.9485617939	 0.6552065959	 2.8615681246	-0.061939
+O	 4.3906805247	 0.2004572559	 1.6495200205	-0.242435
+C	 2.9961262151	 0.4005924236	 1.5668108763	-0.052829
+C	 2.5323085604	-0.1392168116	 0.2098882101	-0.350555
+C	 1.0974667004	 0.0191390582	 0.0176295978	 0.285798
+C	-0.088321672	 0.1625832866	-0.1139233567	-0.445611
+H	 6.6798745928	 0.0542100434	 4.983485248	 0.073894
+H	 6.9322273175	 1.0518528136	 2.0543555435	 0.132218
+H	 6.6188122878	-0.6324944009	 2.530696725	 0.133128
+H	 4.5060572071	 0.1142363945	 3.7162092617	 0.093264
+H	 4.7331541389	 1.7259701813	 3.0101282725	 0.105027
+H	 2.4747842401	-0.1262972085	 2.3815992156	 0.102238
+H	 2.747136394	 1.4697591273	 1.653590165	 0.104469
+H	 3.0833374024	 0.3826909171	-0.5813698292	 0.142401
+H	 2.8123572782	-1.1969010052	 0.1391405448	 0.140943
+H	-1.1351167577	 0.2833504113	-0.2442581239	 0.198421
+19
+0 986	10.2652006	0.4263183	0.4135241	2.3903	79.97	-0.25875	-0.02975	0.22899999999999998	2485.6074	0.152273	-422.515719	-422.504804	-422.50386	-422.553742	36.23
+O	 0.82288935	-1.0761574811	-0.2358099265	-0.236827
+C	 0.2337390191	-0.0411594412	-0.0750070369	 0.139305
+C	-0.3441044645	 0.7838480223	-1.2123319878	-0.146553
+O	-0.9582738655	 1.9191505639	-0.662862005	-0.249039
+C	-1.5377274956	 2.7746045553	-1.6269904167	-0.053268
+C	-2.1649624233	 3.9587853436	-0.9048361703	-0.193008
+C	-2.8231689053	 4.946917069	-1.8872857409	-0.356978
+C	-3.4304929496	 6.08916188	-1.2158133038	 0.289779
+C	-3.9235888422	 7.0217625418	-0.6402956138	-0.428364
+H	 0.0602797196	 0.4040292838	 0.9294004806	 0.098247
+H	 0.4712305366	 1.0473022935	-1.9079789746	 0.122049
+H	-1.0561334401	 0.157742287	-1.7772400984	 0.122056
+H	-0.7698051993	 3.1184944537	-2.3414466305	 0.091775
+H	-2.2989853223	 2.2292975449	-2.211404685	 0.091779
+H	-2.9114320001	 3.5923265888	-0.1933030048	 0.123851
+H	-1.3950393778	 4.4742095706	-0.3223007585	 0.123842
+H	-2.0749049534	 5.3042203178	-2.607403827	 0.132513
+H	-3.5870102662	 4.4247614396	-2.4789268031	 0.132495
+H	-4.36220429	 7.8504924268	-0.142446957	 0.196347
+19
+0 987	7.8141397	0.4532722	0.4329956	1.8534	79.63	-0.26528	0.00808	0.27336	2378.0646	0.154341	-422.550973	-422.540522	-422.539578	-422.588255	35.429
+O	 6.716873194	 1.0296175742	 5.0684334143	-0.300661
+C	 7.2186688231	 0.9491784999	 3.9810003392	 0.181427
+O	 6.5700353654	 0.7586016912	 2.8257847445	-0.206755
+C	 5.1336811174	 0.6420351439	 2.9229891745	-0.068121
+C	 4.592057945	 0.4327512374	 1.5187742695	-0.204698
+C	 3.0664591741	 0.2958329225	 1.5084618299	-0.180528
+C	 2.5108489044	 0.0831702905	 0.0858198947	-0.356925
+C	 1.0595886124	-0.0493401743	 0.0568534255	 0.28985
+C	-0.13763108	-0.155330546	 0.0609774867	-0.431138
+H	 8.2976715829	 1.0212072888	 3.7726879421	 0.110073
+H	 4.890042203	-0.1957781477	 3.5845829567	 0.126769
+H	 4.7346687306	 1.5515093722	 3.3841134373	 0.12678
+H	 4.8992674126	 1.2765375609	 0.8888844565	 0.111445
+H	 5.054143857	-0.4642075211	 1.0885926009	 0.111447
+H	 2.758464763	-0.5459866112	 2.1394270998	 0.115858
+H	 2.603911691	 1.1910067274	 1.9401472064	 0.115859
+H	 2.8147582842	 0.9227916858	-0.5531339222	 0.131884
+H	 2.969195513	-0.8123728158	-0.3540649682	 0.131881
+H	-1.194978363	-0.2503482786	 0.052242112	 0.195553
+19
+0 988	2.7920755	0.9546674	0.8448548	3.5368	82.6	-0.24507	-0.05407	0.191	1477.9922	0.151754	-422.554591	-422.543194	-422.542249	-422.5928	39.
+C	 1.4440317911	 0.4178044619	 0.5332002093	-0.505841
+C	 0.0946925845	 0.0906341902	 0.105274332	 0.141664
+C	-1.0222846858	-0.2025021838	-0.2503868879	-0.011891
+C	-2.3715271574	-0.5725098913	-0.6468618196	 0.184895
+O	-2.8071551104	-1.6881525868	-0.4643507124	-0.303328
+C	-3.2174938869	 0.5678220431	-1.2590531889	 0.247355
+C	-3.9697193591	 1.249113579	-0.0995209222	-0.415542
+C	-4.1790549329	 0.001154785	-2.2999499871	-0.400723
+O	-2.3856648337	 1.5013439338	-1.9359835473	-0.461745
+H	 1.4382819973	 1.2575101127	 1.236493362	 0.162485
+H	 1.9201520319	-0.4353164543	 1.0269366484	 0.166611
+H	 2.0641458153	 0.7055578617	-0.3226324513	 0.165938
+H	-3.2677330317	 1.6395325666	 0.6458593404	 0.112972
+H	-4.5533431168	 2.0859059166	-0.4932331655	 0.128252
+H	-4.6415948542	 0.5457893488	 0.4006613312	 0.133105
+H	-4.7773778452	-0.8013592257	-1.866383905	 0.136838
+H	-4.8383944974	 0.7937120964	-2.6633909206	 0.11685
+H	-3.6184362483	-0.3992619569	-3.1483741307	 0.126817
+H	-1.6923407701	 1.7804432031	-1.3257938648	 0.275288
+19
+0 989	4.1033221	0.6676103	0.5917928	4.6235	84.3	-0.25311	-0.05793	0.19518	1870.9825	0.1532	-422.553035	-422.542105	-422.541161	-422.591871	37.083
+C	 1.6060804397	-0.5142850424	 0.7010954749	-0.505629
+C	 0.277584449	-0.1108067569	 0.2757365876	 0.190764
+C	-0.8265486834	 0.2401643385	-0.0637069241	-0.032042
+C	-2.149866809	 0.6377491161	-0.4860417047	 0.202731
+O	-2.6973009225	 1.622323751	-0.017782125	-0.320807
+C	-2.8077567724	-0.2484421582	-1.531467614	-0.309634
+C	-4.0447605849	 0.3928163818	-2.1828602622	 0.137154
+C	-4.6670762272	-0.5221279818	-3.2299905626	-0.389955
+O	-5.0415348611	 0.6726899526	-1.2167910584	-0.442872
+H	 1.5930407054	-0.8374294738	 1.7477472959	 0.16714
+H	 1.9896509733	-1.3411866178	 0.0949368071	 0.159773
+H	 2.3086567653	 0.3223401238	 0.6227650038	 0.166637
+H	-2.0564577512	-0.5232169642	-2.2816873407	 0.120107
+H	-3.0974950094	-1.1833327943	-1.0302580502	 0.139254
+H	-3.7189201201	 1.3252663593	-2.6742476861	 0.069754
+H	-3.9568378398	-0.7473572452	-4.0314899961	 0.107151
+H	-4.9885007134	-1.4629070809	-2.7713208922	 0.119911
+H	-5.5459018833	-0.0405642972	-3.6665041334	 0.126756
+H	-4.6252277049	 1.2736215696	-0.5836165096	 0.293807
+19
+0 990	2.0901331	1.0120225	0.7812967	5.0379	82.71	-0.26102	-0.03124	0.22977999999999998	1555.7226	0.153003	-422.559314	-422.548286	-422.547342	-422.597358	37.129
+C	 1.1625198464	 0.3068511533	 0.3696151917	-0.504432
+C	-0.241708637	 0.0695827928	 0.0819873782	 0.040041
+C	-1.4043706537	-0.129005612	-0.1701525436	-0.061926
+C	-2.7751843033	-0.3378719473	-0.595592355	 0.358599
+O	-3.105021222	-0.2741417646	-1.751942053	-0.312032
+O	-3.6895267001	-0.6187075046	 0.3540431698	-0.229375
+C	-3.3521407315	-0.6595070732	 1.7626136539	 0.140913
+C	-4.2587353545	-1.7153982806	 2.3812394206	-0.38646
+C	-3.5432191678	 0.7280451015	 2.3667817863	-0.390877
+H	 1.3195784644	 0.5641276961	 1.4221655235	 0.157656
+H	 1.7561473468	-0.5869908664	 0.1490917437	 0.16554
+H	 1.5534278967	 1.1250417475	-0.244345958	 0.166057
+H	-2.3056542424	-0.9655593355	 1.8599215497	 0.099667
+H	-4.0464360296	-1.8154317265	 3.4498166439	 0.117918
+H	-5.3100000022	-1.4370275965	 2.2612480469	 0.132165
+H	-4.103412357	-2.6859302628	 1.9031860323	 0.128905
+H	-3.3276374109	 0.707138644	 3.4396777389	 0.118385
+H	-2.8727972386	 1.4527756982	 1.8971791856	 0.127382
+H	-4.5745451138	 1.0657246866	 2.2266043546	 0.131873
+19
+0 991	2.1604682	1.0427559	0.9624211	3.3583	81.45	-0.23621	-0.01923	0.21698	1406.2005	0.151205	-422.554533	-422.542864	-422.541919	-422.593926	39.445
+C	 1.4902533551	-0.0194186232	-0.0924532135	-0.499117
+C	 0.035196733	-0.0210722869	-0.0616226885	-0.015647
+C	-1.1700673235	-0.0252828151	-0.0435020818	 0.118416
+C	-2.6373428436	-0.0241380936	-0.0039164144	 0.079705
+C	-3.2279194841	 0.8456760281	-1.1199180669	-0.408155
+O	-3.1099657648	 0.3920431732	 1.2817346503	-0.450199
+C	-3.0962246792	-1.5077450748	-0.16713852	 0.384573
+C	-3.0803940591	-2.3531669303	 1.086105228	-0.472483
+O	-3.4236091845	-1.9305544429	-1.2475563838	-0.301972
+H	 1.9085052275	-0.067615919	 0.9187509475	 0.152837
+H	 1.8708378281	-0.881633282	-0.6507272246	 0.157981
+H	 1.8780523581	 0.8854419476	-0.5726468483	 0.153269
+H	-2.9615863917	 0.4419787938	-2.0975903927	 0.145705
+H	-4.3168936919	 0.8594044918	-1.028928981	 0.126206
+H	-2.8488047431	 1.8681131664	-1.0375571177	 0.107772
+H	-2.6150700427	 1.1799942658	 1.529781654	 0.285307
+H	-3.2434732342	-3.3978932232	 0.8193352087	 0.132953
+H	-2.1333530064	-2.2321096672	 1.6193462088	 0.144227
+H	-3.867483183	-2.0119926485	 1.7649534859	 0.158622
+19
+0 992	2.6962904	0.9964495	0.8623119	1.561	80.52	-0.25012	0.04467	0.29479	1430.4611	0.153321	-422.511884	-422.501371	-422.500427	-422.548852	36.869
+C	 1.5054877353	-0.0709983808	 0.0180623813	-0.500022
+C	 0.0510494233	-0.0156306914	-0.0054472304	 0.031912
+C	-1.1518864366	 0.040215262	-0.0193358946	 0.097639
+C	-2.6253036133	 0.0871808365	-0.0225090682	 0.122874
+C	-3.1465044753	 0.8168317933	-1.2660791824	-0.401498
+O	-3.1151691791	 0.796762878	 1.1086513103	-0.449866
+C	-3.1596927089	-1.3516485949	 0.0153576081	 0.066222
+C	-4.4690036672	-1.657220963	 0.5973018466	-0.188124
+O	-3.2542263908	-1.9176365343	 1.3223390188	-0.252167
+H	 1.9164783075	 0.66801643	 0.7145330963	 0.152683
+H	 1.8619169783	-1.0580769394	 0.3321325315	 0.150587
+H	 1.9272361844	 0.1363469868	-0.9715599492	 0.149153
+H	-2.8233692141	 0.3067480857	-2.1772757667	 0.122175
+H	-4.2387803	 0.8530941422	-1.2402365651	 0.121959
+H	-2.7584340928	 1.8374957132	-1.2816742722	 0.137488
+H	-2.933453785	 0.2299176482	 1.8712643209	 0.28962
+H	-2.7435899242	-2.0174376077	-0.7399817494	 0.101834
+H	-5.0721177846	-0.8458592817	 0.995623267	 0.129955
+H	-5.0089632768	-2.5439737628	 0.2712603975	 0.117575
+19
+0 993	1.9907192	1.2299429	0.9392388	1.9013	81.05	-0.24879	0.01305	0.26184	1366.6295	0.152543	-422.56258	-422.551629	-422.550684	-422.599715	37.586
+C	 1.5732442286	-0.0965770959	 0.1932080395	-0.499525
+C	 0.120622395	-0.0337935252	 0.2518730792	-0.003924
+C	-1.0804941401	 0.035881709	 0.2782156723	 0.161927
+C	-2.5415020684	 0.0623119818	 0.352601773	 0.164346
+C	-3.1872635178	-0.6511869481	-0.8446240413	-0.417541
+C	-3.0171040224	-0.5452154406	 1.6792334941	-0.401053
+O	-3.0289877337	 1.4507872538	 0.4313390242	-0.243707
+C	-2.7426504209	 2.321109413	-0.5453326818	 0.193057
+O	-2.1289932913	 2.1164834726	-1.5555393625	-0.304401
+H	 2.0171871158	-0.0923533507	 1.1946238013	 0.148217
+H	 1.9074902006	-1.0070472101	-0.3161216835	 0.151504
+H	 1.9791595569	 0.7586572021	-0.3578455552	 0.157701
+H	-2.9229110051	-1.7116647277	-0.8178312981	 0.124808
+H	-4.2759643546	-0.5608597583	-0.7822227179	 0.117912
+H	-2.8397989351	-0.2233430554	-1.7836943938	 0.15998
+H	-2.7026082936	-1.5894944573	 1.7416175034	 0.128085
+H	-2.5883527756	 0.0015659208	 2.5214395633	 0.13318
+H	-4.1076855953	-0.4955267316	 1.7417319867	 0.122345
+H	-3.178722733	 3.2947166176	-0.2651868729	 0.107088
+19
+0 994	1.9313597	1.2053414	0.908147	2.8544	80.35	-0.24514	-0.03293	0.21221	1394.5521	0.152327	-422.548266	-422.537342	-422.536398	-422.586622	37.69
+C	 1.4773949493	 0.1414277288	 0.1947905643	-0.498173
+C	 0.0258566222	 0.0694913759	 0.1080624067	-0.014278
+C	-1.1757639305	 0.0159139934	 0.0486747607	 0.133426
+C	-2.6476882495	-0.0479103144	-0.0190394409	 0.160654
+C	-3.1677672665	 0.9187634382	-1.0915069469	-0.398152
+O	-3.2424033368	 0.3693032068	 1.2043475828	-0.450465
+C	-3.0870828919	-1.4962690655	-0.3501289023	-0.316784
+C	-2.8018898118	-2.5089049549	 0.7332468696	 0.163404
+O	-2.4890885906	-2.2454659365	 1.8704857968	-0.251557
+H	 1.8097367358	 0.1381072766	 1.2386519895	 0.153865
+H	 1.9494150977	-0.711508527	-0.3052350304	 0.146876
+H	 1.8604703383	 1.054915887	-0.2730889348	 0.149254
+H	-2.8542858731	 1.9355153589	-0.8462658749	 0.136033
+H	-2.7767875818	 0.6571405698	-2.0780460062	 0.116938
+H	-4.2608941421	 0.8859752144	-1.1144544147	 0.118788
+H	-2.9211548073	-0.2470514421	 1.8782879156	 0.294178
+H	-4.1747687632	-1.5170116183	-0.5169119675	 0.135761
+H	-2.6277190851	-1.8482223637	-1.2819697951	 0.1271
+H	-2.9226254031	-3.5696064874	 0.4202888576	 0.093132
+19
+0 995	2.0366417	1.0971994	0.7475331	2.7192	81.11	-0.2417	-0.0283	0.2134	1529.2023	0.152071	-422.539518	-422.528093	-422.527149	-422.578056	38.137
+C	 1.496982695	 0.0334260502	 0.0948919027	-0.499359
+C	 0.0421503848	 0.0160259211	 0.0515174423	 0.075886
+C	-1.1616278499	 0.0072877852	 0.020400402	 0.068598
+C	-2.6208546258	 0.0226468343	-0.0484281694	-0.203998
+C	-3.1811302022	-1.1958304964	-0.8066635683	-0.386916
+C	-3.1263424687	 1.345602261	-0.684175469	 0.053915
+O	-4.5456673759	 1.4133819761	-0.7043116504	-0.423114
+C	-2.596011078	 2.5655338525	 0.0627238009	 0.159166
+O	-1.8206112634	 3.3712312214	-0.3724885513	-0.235074
+H	 1.8687391559	-0.2282446556	 1.0916075195	 0.148749
+H	 1.9247355157	-0.6805204919	-0.6173908152	 0.14941
+H	 1.8852572974	 1.0266032258	-0.1551998028	 0.157626
+H	-3.0176729338	-0.0021076981	 0.9801855808	 0.090994
+H	-2.9077676722	-2.1219533427	-0.2952649055	 0.124289
+H	-4.2693289406	-1.13021991	-0.8736914471	 0.127322
+H	-2.7724569659	-1.232803535	-1.8206372102	 0.129404
+H	-2.7974358077	 1.4089379481	-1.7245148165	 0.120275
+H	-4.8656282959	 1.3567769513	 0.2043852568	 0.285413
+H	-3.0386938389	 2.6748885229	 1.0856528707	 0.057414
+19
+0 996	2.0221638	1.0791931	0.7377662	1.7493	81.48	-0.2447	-0.02333	0.22137	1529.997	0.152283	-422.540533	-422.529148	-422.528203	-422.579289	38.021
+C	 1.5225981387	-0.0018701332	-0.0128519832	-0.501225
+C	 0.0682267026	-0.0306667417	-0.0479911831	 0.115682
+C	-1.1355263401	-0.0586263637	-0.0906727182	 0.010474
+C	-2.5984501383	-0.0955641467	-0.0794888627	-0.055407
+O	-3.1645010106	 1.1888153493	 0.1650183871	-0.418038
+C	-3.1259872867	-1.1500676014	 0.9336611784	-0.070712
+C	-4.6624091402	-1.2074896689	 0.9074756025	-0.418648
+C	-2.5687770043	-2.5210898739	 0.6031064434	 0.166027
+O	-2.0301065636	-3.2587450229	 1.3861160349	-0.250513
+H	 1.9153363261	-0.7143333845	 0.7202393061	 0.158562
+H	 1.9469405766	-0.2567993791	-0.9898557866	 0.154958
+H	 1.889455044	 0.9939779257	 0.2584734971	 0.153261
+H	-2.9641826791	-0.3718352244	-1.0776562192	 0.115626
+H	-2.686610595	 1.5747850984	 0.9076569147	 0.285723
+H	-2.7703897507	-0.8849624173	 1.9350255271	 0.093086
+H	-5.0418299363	-1.8522590731	 1.7044947928	 0.128028
+H	-5.0689433798	-0.2021841888	 1.0349626982	 0.143643
+H	-5.0260272553	-1.5994123602	-0.0498149176	 0.119339
+H	-2.730444488	-2.8305008735	-0.4579710619	 0.070131
+19
+0 997	2.6590156	0.9546136	0.8594752	1.9972	80.36	-0.24815	0.03073	0.27888	1463.5062	0.15275	-422.510553	-422.499567	-422.498623	-422.54838	37.421
+C	 1.5059178874	-0.1179286178	 0.0585483569	-0.500305
+C	 0.0519405617	-0.0517395259	 0.0476466654	 0.062905
+C	-1.1524054166	-0.0195661827	 0.0375612406	 0.050257
+C	-2.6122202242	 0.0733924201	 0.0393849757	-0.11325
+O	-3.0874924115	 0.998710658	 1.0204292232	-0.423155
+C	-3.1680108311	 0.4376775772	-1.3431180173	 0.433966
+C	-2.7209613649	 1.7568729332	-1.9248015886	-0.479276
+C	-4.4510593647	-0.1594532197	-1.7322999968	-0.232226
+O	-3.2154882446	-0.6706056305	-2.2469622665	-0.275948
+H	 1.8728312694	-0.6652089212	 0.9335212287	 0.153471
+H	 1.8806959181	-0.6280561225	-0.8353790391	 0.157485
+H	 1.9503896284	 0.8830149353	 0.079930813	 0.149949
+H	-3.0332976525	-0.903545895	 0.3062998339	 0.115121
+H	-2.4001709866	 1.6597249825	 1.1496017139	 0.28861
+H	-3.0193887284	 2.5799111285	-1.2680152949	 0.124706
+H	-1.6323399435	 1.7785153046	-2.0340702618	 0.133497
+H	-3.1714869722	 1.9133497278	-2.9074209526	 0.127027
+H	-4.9781865167	-0.815510358	-1.0408014833	 0.115175
+H	-5.0821258075	 0.3522542762	-2.4574990903	 0.111993
+19
+0 998	2.7433023	0.9679604	0.8611386	2.4808	80.27	-0.25274	0.04111	0.29385	1450.3466	0.15389	-422.516476	-422.506017	-422.505073	-422.553504	37.094
+C	 1.4776732928	-0.0422668501	 0.0710911129	-0.499677
+C	 0.0215952384	-0.0318151589	 0.0691240487	 0.056232
+C	-1.1830689499	 0.0067063673	 0.0540959674	 0.066793
+C	-2.6565695079	 0.0048726793	 0.0819055209	-0.124337
+O	-3.1661990191	 0.7269778594	 1.1932957319	-0.414717
+C	-3.1627106761	-1.4319214364	 0.108820218	 0.416847
+O	-2.7655744481	-2.0990083922	 1.2806813197	-0.478402
+C	-3.3191399389	-2.2197078296	-1.1613899455	-0.323358
+C	-4.5356716911	-1.7572123695	-0.3760565572	-0.31546
+H	 1.8732483018	-0.0330996505	 1.0926359001	 0.15161
+H	 1.8715360039	-0.9334822678	-0.4296783329	 0.149292
+H	 1.8796243433	 0.8350000902	-0.4473071723	 0.154449
+H	-3.0416207027	 0.5109811745	-0.8107798409	 0.107678
+H	-3.0395351817	 0.1479760182	 1.9565190681	 0.285395
+H	-1.8026348618	-2.1754359528	 1.2434674584	 0.285522
+H	-3.0932749019	-1.7371699939	-2.1065092127	 0.11619
+H	-3.0703537665	-3.273868706	-1.1149334636	 0.117317
+H	-5.1432357871	-0.9539911531	-0.7776964473	 0.12245
+H	-5.0807530976	-2.5075767483	 0.1844377263	 0.126174
+19
+0 999	2.28828	0.8969684	0.673679	1.92	81.16	-0.23723	0.03843	0.27566	1672.7563	0.153154	-422.506368	-422.495247	-422.494303	-422.544844	37.738
+C	 1.5310314313	-0.1785739563	-0.0390146524	-0.498596
+C	 0.0782835804	-0.088983789	-0.0277883324	 0.058775
+C	-1.1233778635	-0.0052186165	-0.0358795231	 0.076734
+C	-2.5877710985	 0.0584558949	 0.0019511101	-0.089264
+O	-3.1760070563	-1.238207641	-0.1208919977	-0.413465
+C	-3.0745800886	 0.7965233503	 1.2385710971	-0.053863
+C	-4.4987282799	 1.3251401448	 1.2874683919	-0.345512
+C	-3.3403307157	 2.2778966443	 1.2003102753	 0.149682
+O	-2.9815428221	 3.1340123479	 2.244025092	-0.427057
+H	 1.9529735665	 0.0244035628	 0.9513414247	 0.149074
+H	 1.8640912994	-1.1763228375	-0.3453637596	 0.150375
+H	 1.9648370973	 0.5438023967	-0.7390770581	 0.152775
+H	-2.9490845992	 0.5993651113	-0.8825506612	 0.1073
+H	-2.7519354457	-1.8064417898	 0.5315326884	 0.279961
+H	-2.6698798699	 0.4142508673	 2.1734900539	 0.080162
+H	-5.1320407092	 1.1817317088	 0.4178794041	 0.124045
+H	-5.0262385497	 1.2493829299	 2.2338291925	 0.105953
+H	-3.1781506766	 2.785776866	 0.2545439272	 0.10996
+H	-3.2286524597	 2.7233708251	 3.0784499674	 0.282961
+19
+0 1000	2.3426358	0.8987234	0.6801774	3.7291	80.83	-0.2512	0.03275	0.28395	1560.403	0.153041	-422.508688	-422.497762	-422.496817	-422.546938	37.025
+C	 1.4803386301	 0.1354655471	-0.0563936633	-0.498896
+C	 0.0283643578	 0.0572592449	 0.0079032935	 0.044375
+C	-1.172213864	-0.0094174037	 0.0828028999	 0.062824
+C	-2.6366465113	-0.0605166534	 0.1085042792	-0.077981
+O	-3.2222660778	 1.2317534757	-0.0262673532	-0.412454
+C	-3.1520950464	-1.0170306312	-0.9562602606	 0.048548
+O	-4.4669697104	-1.5297638014	-0.7581375393	-0.252568
+C	-3.362971574	-2.4436598327	-0.6862531217	 0.086026
+C	-3.2769364147	-3.4964774218	-1.759952021	-0.421045
+H	 1.9434040226	-0.49693435	 0.7088536836	 0.153923
+H	 1.8563942623	-0.1922767057	-1.0316237352	 0.150112
+H	 1.8280213782	 1.161255514	 0.1075127109	 0.153999
+H	-2.987078222	-0.4288847401	 1.0799208061	 0.119266
+H	-2.7692278239	 1.6799528488	-0.7489870183	 0.282777
+H	-2.9307533441	-0.7110239668	-1.9812413853	 0.088088
+H	-3.1556799448	-2.7931001197	 0.3273558686	 0.09006
+H	-4.0033370765	-4.294699432	-1.5754669359	 0.130679
+H	-3.4842651489	-3.0656991512	-2.7430911049	 0.127854
+H	-2.2785544821	-3.9465168608	-1.7766533533	 0.124414
+19
+0 1001	3.0000141	0.8941806	0.7205747	1.1005	81.07	-0.23698	0.0334	0.27038	1604.2451	0.15453	-422.50556	-422.495101	-422.494157	-422.543874	35.195
+C	 1.531640076	-0.0256006933	 0.0913573246	-0.499955
+C	 0.0766746042	 0.0012580461	 0.092653713	 0.089753
+C	-1.1270881241	 0.0459795594	 0.0996623106	 0.03924
+C	-2.587938716	 0.0286678188	 0.0826200519	-0.076395
+O	-3.130810646	-1.0200318926	 0.8861559917	-0.421466
+C	-3.1359819813	-0.0902383628	-1.3477236531	 0.153863
+C	-4.653912826	 0.1222393111	-1.5120105229	-0.295908
+C	-4.2415746201	 1.3089140229	-2.4064856144	-0.061666
+O	-2.83862036	 1.0695239567	-2.1519507644	-0.288616
+H	 1.9212957516	-0.4645025973	 1.0164052079	 0.150322
+H	 1.9205051147	-0.6131742228	-0.7473496672	 0.150114
+H	 1.9417691897	 0.986580351	 0.0062897548	 0.155257
+H	-2.9758981736	 0.9606548993	 0.5123977985	 0.111307
+H	-2.5866639086	-1.8014285943	 0.7400989794	 0.285702
+H	-2.7419676154	-1.0087827997	-1.8052132462	 0.07056
+H	-5.1952639923	-0.6837707957	-2.0078544811	 0.110134
+H	-5.1717395428	 0.3849569997	-0.5880858656	 0.120412
+H	-4.4836572044	 1.2020646228	-3.4709741051	 0.102351
+H	-4.5529060856	 2.3053145605	-2.0715216226	 0.10499
+19
+0 1002	3.014952	0.8664086	0.7059828	3.2343	80.22	-0.24319	0.03153	0.27471999999999996	1606.0778	0.154739	-422.502976	-422.492584	-422.49164	-422.540883	34.971
+C	 1.5167196237	-0.0695363193	 0.1212426051	-0.499989
+C	 0.0620984869	-0.0734637682	 0.0685427034	 0.086187
+C	-1.1418621322	-0.0978782412	 0.0261334933	 0.032807
+C	-2.6060826597	-0.0648399751	-0.0072156657	-0.069669
+O	-3.1727948685	 0.1293396097	 1.2879170159	-0.421562
+C	-3.1169840008	 0.9927844571	-0.992464625	-0.029777
+C	-4.6241241968	 0.902562652	-1.3053644481	-0.090703
+O	-4.3600156959	 0.4575161429	-2.6538789703	-0.274255
+C	-2.9408620415	 0.654371947	-2.4879777235	-0.08346
+H	 1.8741398101	-0.2128338799	 1.1467814795	 0.153782
+H	 1.9352803142	-0.8762412709	-0.490288259	 0.154538
+H	 1.9292973259	 0.8761131417	-0.246717684	 0.150064
+H	-2.9850195741	-1.0433674032	-0.3307893324	 0.119475
+H	-2.7013290125	 0.8616502296	 1.7003319619	 0.282517
+H	-2.7546183024	 1.9783258053	-0.689477561	 0.075548
+H	-5.187997114	 0.164757842	-0.723113641	 0.114268
+H	-5.1627958193	 1.8584043042	-1.2885952375	 0.095441
+H	-2.365088308	-0.2526313009	-2.7107924436	 0.105999
+H	-2.563101975	 1.4753675073	-3.1104320079	 0.09879
+19
+0 1003	3.1855536	0.7564087	0.6686494	2.2248	82.54	-0.25111	0.01618	0.26729	1749.6975	0.152677	-422.569456	-422.558145	-422.557201	-422.608611	37.326
+C	 1.8668764065	 0.903832167	 0.0130363471	-0.499141
+C	 0.4872523777	 0.4414580386	-0.0155296814	 0.087626
+C	-0.651972495	 0.0539447144	-0.0302926417	 0.074605
+C	-2.0327788875	-0.4060942597	-0.0976840557	-0.059799
+C	-2.9358106735	 0.5303051648	-0.9044821192	-0.398514
+O	-2.5309610369	-0.4991004522	 1.2682277803	-0.248717
+C	-3.4508650811	-1.4588671141	 1.5059342767	 0.439973
+C	-3.858107013	-1.4475210315	 2.9599967664	-0.477527
+O	-3.876905933	-2.2129732241	 0.6667266117	-0.356159
+H	 2.1829430138	 1.1289188755	 1.0374981981	 0.153597
+H	 2.5501688213	 0.1465228874	-0.3863727975	 0.151038
+H	 1.994048172	 1.8155717843	-0.580685913	 0.150484
+H	-2.0813241039	-1.4113480035	-0.5271147045	 0.135376
+H	-2.9618103575	 1.521459452	-0.4449475298	 0.130098
+H	-2.5522848226	 0.6279414137	-1.9235523789	 0.129846
+H	-3.9472925363	 0.1197489241	-0.9472761853	 0.138174
+H	-4.6059788765	-2.220257299	 3.1333216783	 0.147147
+H	-2.9840092878	-1.6224325742	 3.5934740826	 0.152041
+H	-4.2621656466	-0.4673993433	 3.2282203258	 0.149852
+19
+0 1004	3.9676257	0.667399	0.637946	3.238	82.02	-0.23782	-0.00925	0.22857	1817.2851	0.152383	-422.549698	-422.538311	-422.537367	-422.588777	38.035
+C	 1.5028470624	 0.1883681246	 0.0218157978	-0.50047
+C	 0.0575700197	 0.0180329552	 0.0436370178	 0.134915
+C	-1.1374152587	-0.1336264396	 0.0492200294	 0.018979
+C	-2.5946835075	-0.2655142913	 0.0820033672	-0.079512
+O	-3.2430132951	 0.6780346294	-0.7712971691	-0.417194
+C	-3.1287692703	-0.1641530275	 1.5268092495	-0.312017
+C	-4.6549863273	-0.1355388899	 1.6138610086	 0.393342
+C	-5.4201744376	-1.1852604832	 0.8302668301	-0.486277
+O	-5.2164065312	 0.689642531	 2.2954130125	-0.296986
+H	 1.9122329205	 0.2534657763	 1.0357203314	 0.152127
+H	 1.9938218879	-0.6498535698	-0.484258092	 0.153472
+H	 1.7824013974	 1.1051508726	-0.5086273905	 0.153949
+H	-2.8762991525	-1.2398397324	-0.3342883893	 0.118593
+H	-2.9270470661	 1.5557826427	-0.5278867997	 0.288326
+H	-2.7586960466	-1.0236678711	 2.1013819825	 0.126211
+H	-2.7510918847	 0.7414881209	 2.0094223952	 0.12158
+H	-4.9885117786	-2.1829478762	 0.965350665	 0.127557
+H	-6.465260164	-1.1836196739	 1.1416875828	 0.138001
+H	-5.3616134977	-0.9426240577	-0.2364793491	 0.165402
+19
+0 1005	3.9316918	0.6458009	0.5912504	2.423	81.12	-0.25114	0.03306	0.28419999999999995	1871.7326	0.153824	-422.503234	-422.492564	-422.491619	-422.541464	36.088
+C	 1.5081314917	-0.0501736564	 0.04180331	-0.500362
+C	 0.0542120919	-0.0331823572	-0.026079342	 0.111027
+C	-1.1485627769	-0.0344210439	-0.0938633577	 0.023081
+C	-2.6117199186	-0.0004851893	-0.1247494866	-0.061577
+O	-3.1829474484	-0.6161778234	 1.0324236185	-0.422431
+C	-3.1375128288	 1.4382151012	-0.3094534329	-0.234935
+C	-4.6443179746	 1.4805449373	-0.4024307882	 0.095567
+C	-5.341916919	 1.5164257592	-1.694962079	-0.177321
+O	-5.2166271202	 2.6938056306	-0.8954265514	-0.242982
+H	 1.8607847876	-0.7889849182	 0.7696944434	 0.152925
+H	 1.944693661	-0.3086014004	-0.9290967416	 0.153546
+H	 1.9073279268	 0.9262082076	 0.3370518888	 0.150657
+H	-2.9711479464	-0.6109767565	-0.9630703648	 0.115736
+H	-2.7057597322	-0.2790400167	 1.7988027869	 0.283764
+H	-2.8007197603	 2.0464578825	 0.539616171	 0.106137
+H	-2.699167211	 1.877233854	-1.2117152401	 0.114753
+H	-5.172218838	 1.0482286761	 0.4461565272	 0.106303
+H	-4.7627371358	 1.5166673074	-2.6182027035	 0.110116
+H	-6.3498447487	 1.1130955962	-1.7813182479	 0.115997
+19
+0 1006	1.6765469	1.1917811	0.7768771	1.8703	80.65	-0.24857	0.01333	0.2619	1524.9904	0.153961	-422.558762	-422.547826	-422.546882	-422.597785	36.168
+C	 1.3299012873	 0.3349440164	-0.4030403507	-0.497887
+C	-0.111793063	 0.2048214735	-0.2457844879	 0.026993
+C	-1.3043970251	 0.1006492534	-0.1158373166	 0.109527
+C	-2.7533672101	-0.0434968627	 0.0158528473	-0.156027
+C	-3.1632430331	-1.5154652126	 0.2220961087	-0.393964
+C	-3.482599017	 0.5329792174	-1.2076654571	-0.07751
+O	-3.2387680723	 1.9491600599	-1.2912259596	-0.208457
+C	-2.6578221418	 2.418588228	-2.4066928231	 0.192706
+O	-2.3582431477	 1.7924918765	-3.3846789476	-0.301864
+H	 1.7297167664	 1.1353853732	 0.2292458076	 0.147278
+H	 1.8455523799	-0.5922525943	-0.129638071	 0.147477
+H	 1.5943751238	 0.5676181098	-1.4403255794	 0.153887
+H	-3.0856559951	 0.533564825	 0.8895070964	 0.11142
+H	-2.6712912598	-1.9278118259	 1.1057963186	 0.131553
+H	-4.2463071801	-1.6002333049	 0.358191826	 0.11507
+H	-2.8730277856	-2.1231627706	-0.640145184	 0.131161
+H	-3.1519425244	 0.0547235876	-2.1310346059	 0.147614
+H	-4.5634781221	 0.4055379426	-1.0929996931	 0.113995
+H	-2.50523111	 3.5016245476	-2.2812351185	 0.107028
+19
+0 1007	2.1132385	0.8105644	0.6098254	3.3389	82.09	-0.25353	-0.02414	0.22938999999999998	1818.3879	0.151771	-422.526335	-422.514974	-422.51403	-422.565721	37.073
+C	 1.6343402519	 0.1169381779	-0.1780350527	-0.498348
+C	 0.1816009031	 0.0607372272	-0.1029076627	 0.006077
+C	-1.0208919339	 0.0196104806	-0.042660093	 0.124201
+C	-2.4866545604	-0.0350035711	 0.0240307858	-0.028572
+C	-3.1457590666	 0.7630983639	-1.1009463394	-0.392945
+O	-2.9791103256	-1.3699637925	-0.0807287309	-0.248763
+C	-2.5889992875	-2.2221203308	 0.9679978598	-0.148982
+C	-3.1411109364	-3.6050902825	 0.6775708465	 0.141909
+O	-3.1069414093	-4.5158088145	 1.4617955496	-0.240849
+H	 2.0918074294	-0.0143907714	 0.8084800833	 0.15196
+H	 2.0266362149	-0.6665530766	-0.8353064993	 0.154297
+H	 1.970304887	 1.0808682264	-0.5754250577	 0.153529
+H	-2.8067273002	 0.3821928508	 0.9942208991	 0.094047
+H	-2.8481406068	 0.3574312538	-2.0707836083	 0.135561
+H	-4.2329123963	 0.6995346824	-1.0084766674	 0.125062
+H	-2.8412573232	 1.8110644697	-1.0493782234	 0.127014
+H	-1.4921608656	-2.292765509	 1.0487835922	 0.131781
+H	-2.9663083396	-1.8803462505	 1.9456795845	 0.118579
+H	-3.5765840051	-3.7057589437	-0.3411055259	 0.09444
+19
+0 1008	3.821185	0.5669809	0.5117747	4.0153	83.1	-0.24657	-0.01824	0.22833	2108.5314	0.152706	-422.539191	-422.527899	-422.526955	-422.578757	37.23
+C	 1.4727500533	-0.168395427	-0.0686380423	-0.500256
+C	 0.0213311738	-0.0614177682	-0.0436702315	 0.11218
+C	-1.181125774	 0.0122604966	-0.0358613393	 0.018579
+C	-2.6368062393	 0.1582036442	-0.0010137798	-0.060093
+O	-3.0799133231	 1.2585081294	-0.7966741163	-0.416816
+C	-3.1504150194	 0.2722648093	 1.4505881359	-0.202429
+C	-4.6815354934	 0.3824354931	 1.5103808246	-0.276173
+C	-5.1675753746	 0.7467170371	 2.8917814389	 0.155171
+O	-5.9713102916	 0.1218836803	 3.5344122128	-0.239479
+H	 1.9098430545	 0.082904298	 0.9037474541	 0.151438
+H	 1.7885673576	-1.1857683169	-0.3237109546	 0.155176
+H	 1.9050225902	 0.508403726	-0.8136499321	 0.153589
+H	-3.1023744774	-0.721758304	-0.4634116091	 0.11747
+H	-2.4806994669	 1.9937125557	-0.6262277001	 0.284978
+H	-2.8035310776	-0.598029937	 2.018166849	 0.121448
+H	-2.6876051118	 1.1552760375	 1.9103924411	 0.101662
+H	-4.9879018646	 1.1807179484	 0.8208820281	 0.137626
+H	-5.167902706	-0.5467728495	 1.1990662825	 0.119451
+H	-4.7105295696	 1.6796193271	 3.3019388981	 0.066479
+19
+0 1009	2.0541587	1.0334582	0.7173695	1.6647	82.55	-0.24198	-0.03108	0.2109	1588.3678	0.152121	-422.541359	-422.529915	-422.528971	-422.580243	38.123
+C	 1.5407088325	-0.0289676141	-0.0343481751	-0.499911
+C	 0.0857582943	-0.0494454347	-0.0037898099	 0.116573
+C	-1.117165542	-0.0851069155	 0.0425473352	 0.043329
+C	-2.5746026181	-0.0678015088	 0.0374617165	-0.295907
+C	-3.0467969077	 0.8681703779	-1.0781757707	 0.163953
+O	-3.900639922	 0.5961628733	-1.879152242	-0.249748
+C	-3.1647050228	 0.3932001628	 1.4129321296	 0.137002
+C	-4.689626333	 0.2991150751	 1.43795105	-0.414555
+O	-2.5794789863	-0.3256156599	 2.4814885466	-0.417986
+H	 1.9600603986	-0.3109049693	 0.937603205	 0.15406
+H	 1.9331859479	-0.7262025493	-0.7825827155	 0.150739
+H	 1.9179496778	 0.9693949563	-0.2812391989	 0.150651
+H	-2.9798251711	-1.0624055397	-0.1914006741	 0.108152
+H	-2.5260596442	 1.8512986379	-1.0854528394	 0.090846
+H	-2.8535108522	 1.4312029913	 1.5785248322	 0.101866
+H	-5.0608103822	 0.6304771168	 2.410900591	 0.128438
+H	-5.1509270529	 0.9109995302	 0.6579023499	 0.136988
+H	-5.0158616074	-0.7360796382	 1.2792588359	 0.114939
+H	-2.8436042691	-1.2492221919	 2.4004984339	 0.280571
+19
+0 1010	2.5117408	0.9863345	0.8581012	2.9914	82.45	-0.22762	0.04314	0.27076	1453.5004	0.152849	-422.515388	-422.504378	-422.503434	-422.551949	38.467
+C	 1.4630035147	-0.0575439652	-0.1691701422	-0.503192
+C	 0.0097944547	-0.044128433	-0.0699389187	 0.119655
+C	-1.1924973026	-0.0555312664	 0.0461761156	-0.031248
+C	-2.6265306246	-0.0262527689	 0.1193531678	 0.027153
+C	-3.2427338702	 0.4533788568	 1.4230419541	-0.474451
+C	-3.3796883435	-1.0934094034	-0.7134704843	 0.012654
+O	-4.6131136165	-1.5632678645	-0.2686879516	-0.415314
+C	-3.3327390856	 0.3167111087	-1.1991938174	 0.075344
+O	-2.6015879585	 0.662134834	-2.3281710161	-0.431292
+H	 1.9163962662	-0.4331139839	 0.7548312629	 0.152303
+H	 1.7993239931	-0.7038144278	-0.9874431117	 0.151274
+H	 1.8648171046	 0.9453575801	-0.3513890415	 0.150028
+H	-2.87633588	-0.1388691647	 2.2681373535	 0.118986
+H	-2.988881768	 1.5006403693	 1.6126064838	 0.127565
+H	-4.3299068102	 0.3566836045	 1.3849746285	 0.133854
+H	-2.7510018391	-1.8086438771	-1.2423916528	 0.0988
+H	-4.456894133	-2.2373242396	 0.4019523475	 0.291176
+H	-4.2554254674	 0.8839170485	-1.0986864533	 0.111118
+H	-1.6733563043	 0.7273352627	-2.0644201741	 0.285586
+19
+0 1011	3.1325289	0.854167	0.8161532	2.528	83.46	-0.22257	0.02658	0.24914999999999998	1536.1199	0.153223	-422.512847	-422.501948	-422.501004	-422.550124	37.922
+C	 1.4285370657	 0.0021886588	 0.0004283094	-0.503397
+C	-0.0265401978	-0.0108415991	-0.0064343932	 0.129787
+C	-1.2327386137	-0.0089019288	-0.0156318676	-0.003373
+C	-2.6646212255	-0.0440593676	-0.0146981296	 0.127745
+O	-3.2701624727	-0.2924820539	 1.2438334826	-0.474729
+C	-3.4842926928	 0.8583054183	-0.9300189922	-0.109536
+C	-4.7288592011	 1.5561572751	-0.4310545489	-0.400741
+C	-3.4575776832	-0.6345828532	-1.1818147895	 0.060545
+O	-4.552847183	-1.4239844773	-0.85304845	-0.431167
+H	 1.8159732867	 0.3795152392	 0.9532924309	 0.152057
+H	 1.8442676664	-0.99941032	-0.1563728985	 0.149126
+H	 1.8177587482	 0.6511597202	-0.7919133548	 0.153626
+H	-2.7228534736	-0.9477451624	 1.6915324465	 0.292653
+H	-2.8700831607	 1.4433648903	-1.6088158607	 0.096014
+H	-5.3563677087	 0.8864379497	 0.1583117941	 0.12669
+H	-4.4758700554	 2.419942826	 0.1912073308	 0.121754
+H	-5.3235667558	 1.9098449402	-1.2794366001	 0.12035
+H	-2.9158285339	-1.0131684598	-2.0427455037	 0.105203
+H	-4.6059724792	-1.4113837756	 0.1142461746	 0.287391
+19
+0 1012	4.5034982	0.7973857	0.7630281	3.2052	81.71	-0.24459	0.03432	0.27891	1556.0139	0.154508	-422.522401	-422.5124	-422.511456	-422.558406	36.207
+C	 1.5370215629	 0.3554018081	 0.0313475337	-0.504224
+C	 0.0977047395	 0.1404135629	 0.0139361862	 0.140339
+C	-1.0939384986	-0.0380088657	-0.0114150047	-0.02818
+C	-2.5316390158	-0.2490490378	-0.0108678686	 0.178392
+O	-3.2501004539	 0.9950807035	 0.0216358007	-0.47005
+C	-3.1946480383	-1.0923550738	-1.1377515988	-0.264523
+C	-4.1711055386	-1.6732217906	-0.0726723993	 0.140969
+O	-5.4076496189	-1.0047571151	 0.0085907601	-0.443983
+C	-3.1407861601	-1.2564696169	 1.019459679	-0.286307
+H	 1.9674503687	 0.1087637269	 1.0081519084	 0.149882
+H	 2.0382013636	-0.265605889	-0.7192552308	 0.152913
+H	 1.7829775478	 1.4003905146	-0.1868918855	 0.152701
+H	-2.9375538844	 1.4887760541	 0.7887779772	 0.282339
+H	-3.6346815706	-0.5181900482	-1.9555247069	 0.115651
+H	-2.5065784008	-1.8433923027	-1.5305977745	 0.11129
+H	-4.4000349314	-2.7380854579	-0.1461844384	 0.080397
+H	-5.2049836871	-0.0603852184	 0.0437508242	 0.284456
+H	-3.5441300247	-0.8238613346	 1.9387789282	 0.09902
+H	-2.4393175495	-2.0585420093	 1.2619178297	 0.108918
+19
+0 1013	2.8731077	0.9876208	0.8474627	2.4177	82.23	-0.2195	0.04276	0.26226	1442.0125	0.152414	-422.517813	-422.506999	-422.506055	-422.554275	38.59
+C	 1.6041519732	 0.0172569844	-0.1199261235	-0.502886
+C	 0.1509050289	-0.0538314731	-0.0887464397	 0.09496
+C	-1.051981463	-0.1204147047	-0.0749588582	 0.062756
+C	-2.488588016	-0.1846705579	-0.0692385378	 0.186879
+O	-3.0390837614	-0.7535690749	-1.2206843101	-0.466389
+C	-3.2900185015	 0.9344234963	 0.6041769797	-0.408196
+C	-3.2502102316	-0.4371469515	 1.2306488594	 0.307358
+C	-2.5455371783	-0.6817916858	 2.540352657	-0.440515
+O	-4.3644657505	-1.2771552465	 1.0176966932	-0.472392
+H	 2.05746955	-0.6753696419	 0.5981354901	 0.146606
+H	 1.9847457416	-0.2417623673	-1.1141168246	 0.154005
+H	 1.9616319637	 1.0254815188	 0.1175529982	 0.14655
+H	-3.7575597459	-1.3221158818	-0.9057114912	 0.289616
+H	-2.7519498798	 1.7384472124	 1.0938672648	 0.121594
+H	-4.1924433417	 1.2245356456	 0.0754137733	 0.114753
+H	-2.311227408	-1.7449118421	 2.6502551757	 0.130831
+H	-1.6128164086	-0.1161582854	 2.5906873898	 0.132395
+H	-3.1800160241	-0.3812142016	 3.3822479845	 0.109762
+H	-5.1588008369	-0.815175703	 1.3049943093	 0.292313
+19
+0 1014	2.8426755	0.9215535	0.9015186	2.7234	81.36	-0.23856	0.03214	0.2707	1446.568	0.153579	-422.51412	-422.503579	-422.502635	-422.551368	36.437
+C	 1.5098323688	 0.0561212676	 0.0487571468	-0.500723
+C	 0.0549364441	 0.0205927672	 0.0267954202	 0.071986
+C	-1.1491358035	-0.0246596156	 0.0115651471	 0.055706
+C	-2.6042681457	-0.0477577039	-0.0237961832	 0.171548
+C	-3.2241838147	 0.275433732	 1.3316786531	-0.42496
+O	-3.1187236909	-1.3152007323	-0.5430363857	-0.310544
+C	-3.863924451	-0.6600665299	-1.58741704	-0.088469
+C	-3.2544844576	 0.7032485856	-1.2497173039	 0.022863
+O	-4.216376752	 1.6906631735	-0.9937070446	-0.414612
+H	 1.893670692	 0.1097536633	 1.0734228822	 0.149936
+H	 1.9308735807	-0.8415396787	-0.4172715363	 0.154293
+H	 1.8962007929	 0.9238951195	-0.4973562124	 0.147217
+H	-2.9419571355	-0.4966877503	 2.0520686512	 0.131406
+H	-2.8651438683	 1.2407089956	 1.7017026005	 0.112973
+H	-4.3121649446	 0.3145915471	 1.2507020399	 0.129791
+H	-3.6385880909	-1.0708065288	-2.5773399162	 0.106499
+H	-4.9469402997	-0.6924589589	-1.4142764035	 0.108499
+H	-2.497776745	 1.0433032628	-1.9645374347	 0.08562
+H	-3.7667214189	 2.5306254544	-0.8578703707	 0.290971
+19
+0 1015	2.872485	0.9346717	0.8796979	2.0318	81.68	-0.23705	0.03152	0.26857000000000003	1449.3909	0.154355	-422.52553	-422.515207	-422.514262	-422.564298	36.445
+C	 1.5802772762	 0.3318632078	-0.0558876393	-0.50281
+C	 0.1338410774	 0.173251776	-0.0285164904	 0.102615
+C	-1.0638016423	 0.0348640758	-0.0125909351	-0.035644
+C	-2.5037179882	-0.1237862639	 0.0498084847	 0.19598
+O	-3.1830435846	 1.1335739476	-0.0807034807	-0.480185
+C	-3.2010260807	-1.1531052332	-0.883938875	-0.25269
+C	-4.1114072518	-1.5932329982	 0.2933438997	-0.276582
+C	-3.1253720198	-0.9019024083	 1.2780949951	 0.12552
+O	-3.6250010633	-0.1113858174	 2.3118744632	-0.433605
+H	 1.9928494748	 0.4134215299	 0.9556861781	 0.15225
+H	 2.0607974781	-0.5236995765	-0.5430432755	 0.153232
+H	 1.8703393164	 1.2323280344	-0.6083254717	 0.151744
+H	-2.6089505681	 1.8030941362	 0.3067477293	 0.289091
+H	-3.6816803616	-0.7068914409	-1.7557490618	 0.116773
+H	-2.508355556	-1.9316262796	-1.2080662237	 0.113323
+H	-5.0760670258	-1.0792631276	 0.2827053961	 0.108489
+H	-4.2831708989	-2.6624368183	 0.4309269481	 0.101091
+H	-2.4085281313	-1.6038676211	 1.7108427423	 0.093617
+H	-4.0529678004	 0.6372946673	 1.8733029767	 0.277788
+19
+0 1016	2.9427668	0.9135969	0.8813909	3.1674	81.38	-0.2447	0.03081	0.27551	1463.7895	0.153349	-422.513654	-422.502963	-422.502019	-422.550977	36.562
+C	 1.5217904766	-0.014160178	-0.0857897272	-0.499734
+C	 0.0664569854	-0.0243888993	-0.0670395211	 0.022111
+C	-1.1385173984	-0.0240080188	-0.0431998828	 0.054279
+C	-2.5921720369	-0.0473196804	-0.0439113666	 0.151688
+O	-3.1152007201	-0.1081223793	-1.3607203836	-0.461283
+C	-3.2759945596	-1.0263947135	 0.9558690432	-0.107175
+O	-3.9717518303	 0.0460528054	 1.6101168267	-0.291643
+C	-3.3178726865	 1.0521752626	 0.802503983	 0.123837
+C	-4.2902037998	 1.9704273471	 0.0956057074	-0.398347
+H	 1.9228530941	 0.4132687013	 0.839630419	 0.15592
+H	 1.9272218475	-1.0268005074	-0.1866615489	 0.151823
+H	 1.9038000015	 0.5836967724	-0.9203567289	 0.153363
+H	-2.4986274282	-0.6176624399	-1.8959224096	 0.285679
+H	-3.9575559748	-1.7337138758	 0.4693729432	 0.104971
+H	-2.5950805014	-1.5584202182	 1.6306411956	 0.099736
+H	-2.6089150955	 1.6287949054	 1.4103886142	 0.077006
+H	-4.8853137414	 2.5080560195	 0.8404902088	 0.121618
+H	-3.7497650927	 2.7042863098	-0.5105242059	 0.119857
+H	-4.9599078196	 1.4060030071	-0.5551189065	 0.136292
+19
+0 1017	3.1031706	0.9616231	0.8942125	1.76	80.32	-0.24708	0.03968	0.28676	1414.8555	0.155206	-422.531094	-422.521219	-422.520274	-422.56772	34.285
+C	 1.3744224702	-0.2873841166	 0.019318124	-0.499437
+C	-0.0646459817	-0.070765538	-0.0112267833	 0.020353
+C	-1.2557324788	 0.103288982	-0.0469725881	 0.116944
+C	-2.7009455073	 0.333569704	-0.0775371616	 0.160844
+C	-3.0360216387	 1.7505176025	-0.5552254216	-0.421718
+C	-3.3704652608	-0.0097127532	 1.2945294177	-0.150241
+O	-4.539830109	-0.7217070032	 0.9324323684	-0.233164
+C	-4.1461932048	-1.453741975	-0.20038012	 0.014039
+O	-3.3494833721	-0.5917273075	-0.9798373534	-0.274494
+H	 1.6868641107	-0.7736981616	 0.9498735361	 0.148966
+H	 1.6927618939	-0.9256819987	-0.8121967666	 0.153992
+H	 1.9203864104	 0.6588788358	-0.0620644507	 0.150354
+H	-2.5347078346	 2.4966776118	 0.0677928888	 0.120004
+H	-2.7084178261	 1.8820601744	-1.5889566979	 0.134271
+H	-4.1177557521	 1.9036791958	-0.5057473071	 0.125604
+H	-2.698914464	-0.6301073671	 1.9031814365	 0.10462
+H	-3.6608701382	 0.8785276477	 1.8584471054	 0.122731
+H	-3.572916286	-2.3514840024	 0.0960451417	 0.085896
+H	-5.0344421209	-1.7415367406	-0.7695725087	 0.120435
+19
+0 1018	2.5435773	1.1453784	0.9864654	1.6301	79.62	-0.24493	0.04771	0.29264	1351.0015	0.154789	-422.533989	-422.523922	-422.522977	-422.57133	34.498
+C	 1.1091038766	-0.4902679863	-0.1180774798	-0.502269
+C	-0.300144138	-0.1329526912	-0.0473941168	 0.036943
+C	-1.4650343868	 0.166932279	 0.011731089	 0.130692
+C	-2.8979996801	 0.5308679607	 0.0836866059	 0.196033
+C	-3.1064066342	 2.0174762213	 0.3185867694	-0.431012
+O	-3.5688963427	 0.1484310514	-1.1073570315	-0.254179
+C	-3.8828538642	-1.2316102855	-0.9675330906	-0.109594
+C	-3.8657397482	-1.4719262333	 0.5659186562	-0.10971
+O	-3.5457037165	-0.199353685	 1.1142682777	-0.254081
+H	 1.3754382564	-1.2111285854	 0.662613639	 0.151316
+H	 1.3564803079	-0.9400429638	-1.0858378505	 0.151311
+H	 1.7472031206	 0.3906399997	 0.0115822506	 0.152228
+H	-2.6383324419	 2.3128017989	 1.2596898126	 0.134593
+H	-2.6568366716	 2.5877182268	-0.4967012513	 0.1346
+H	-4.1782830423	 2.2209746323	 0.3617260925	 0.127936
+H	-4.8621816915	-1.4013647228	-1.4223924527	 0.115508
+H	-3.1397586635	-1.8573351584	-1.4773568951	 0.107073
+H	-4.8351643154	-1.7771762958	 0.9681663126	 0.11553
+H	-3.1129490147	-2.2201308326	 0.8436835326	 0.107083
+19
+0 1019	3.3561535	0.8955736	0.8591422	3.1411	80.28	-0.24243	0.04003	0.28246	1457.6573	0.155598	-422.533089	-422.523186	-422.522242	-422.569649	34.681
+C	 1.6032371764	-0.3026042458	-0.3533382439	-0.499579
+C	 0.1666766597	-0.1759886788	-0.154320175	 0.008736
+C	-1.02152726	-0.0759912295	 0.0186570155	 0.069865
+C	-2.4696201989	 0.037629175	 0.1909112596	 0.205043
+O	-3.1597110728	-0.7255714946	-0.8019401211	-0.453622
+C	-2.9793902245	 1.5188029427	 0.2199370115	-0.292217
+C	-3.8331119305	 1.5912934355	 1.504409737	-0.070102
+O	-4.1303418818	 0.2477982712	 1.8529430813	-0.242356
+C	-2.9644248215	-0.4916828921	 1.5596766768	-0.104385
+H	 2.1121362264	-0.5475232446	 0.5853793698	 0.152565
+H	 1.8342525413	-1.0972649394	-1.0711702344	 0.152166
+H	 2.038751564	 0.6274891486	-0.7347480206	 0.149028
+H	-2.7878115375	-0.4871757497	-1.6578915514	 0.279357
+H	-2.1577182009	 2.2367242295	 0.2273265293	 0.111035
+H	-3.5829680562	 1.6853157359	-0.6748104479	 0.113697
+H	-3.268427891	 2.0811274583	 2.3144781872	 0.090514
+H	-4.7791210011	 2.1222233871	 1.3750966397	 0.112059
+H	-2.1862230112	-0.3311324136	 2.3220494784	 0.091381
+H	-3.2184408301	-1.5511385256	 1.505922208	 0.126816
+19
+0 1020	2.0344997	1.1603988	0.9253088	2.1797	80.97	-0.2501	0.02412	0.27421999999999996	1389.2805	0.153071	-422.512164	-422.501442	-422.500498	-422.549343	37.17
+C	 1.5518705435	-0.0855450791	-0.0496666181	-0.505638
+C	 0.0974003648	-0.0693993076	 0.0016756914	 0.140422
+C	-1.1082315086	-0.0645302498	 0.0125239592	-0.011122
+C	-2.5511869858	-0.0375439531	 0.0964087895	 0.209908
+C	-3.3499715523	-1.0111266089	-0.6710315444	-0.222682
+O	-3.261912829	 0.3489400019	-1.0939225355	-0.271287
+C	-3.1125191493	 0.553213633	 1.3929065661	 0.041328
+C	-2.8321378489	 2.0514259228	 1.4994884527	-0.409577
+O	-2.6272446285	-0.1703229781	 2.5124575896	-0.427645
+H	 1.9798090845	 0.785591252	 0.4577715513	 0.153524
+H	 1.9572764344	-0.9845452653	 0.4272500715	 0.154226
+H	 1.9035444406	-0.0721664191	-1.0868941699	 0.159516
+H	-2.8423281154	-1.7317391896	-1.3091153553	 0.121088
+H	-4.317134365	-1.3236822111	-0.2793048296	 0.120283
+H	-4.1947001491	 0.3864523867	 1.3827497542	 0.094599
+H	-3.2507060113	 2.4415782918	 2.4307084094	 0.122308
+H	-1.7537717978	 2.2444495856	 1.4944696351	 0.116775
+H	-3.2783169081	 2.5863404767	 0.6559482319	 0.133315
+H	-1.6644554688	-0.1028402787	 2.497893011	 0.280658
+19
+0 1021	2.9368159	0.9072822	0.7798839	0.7262	83.19	-0.22868	0.04354	0.27222	1534.6253	0.152532	-422.519321	-422.508312	-422.507368	-422.556054	38.536
+C	 1.4342444503	-0.2086738305	 0.1094213908	-0.501943
+C	-0.0102648713	-0.0378920181	 0.0376232033	 0.137084
+C	-1.201108913	 0.1395670238	-0.0527664248	 0.015128
+C	-2.6256153881	 0.2751759503	-0.0900077901	-0.326808
+C	-3.3580883968	 1.1290076996	 0.9351247246	 0.026182
+O	-4.4125244559	 1.8854319678	 0.4202671329	-0.416227
+C	-3.4479307107	-0.3737765382	 1.0355825425	 0.359691
+C	-4.7307009478	-1.0910237457	 0.7007656324	-0.449127
+O	-2.7339258316	-0.9795288161	 2.0722434348	-0.469189
+H	 1.8285195087	 0.1415126446	 1.069747146	 0.150854
+H	 1.7230062343	-1.2593448048	-0.005344733	 0.148972
+H	 1.936217709	 0.3612128324	-0.6802851433	 0.153686
+H	-3.0943504709	 0.2633369489	-1.0699249602	 0.119595
+H	-2.736321866	 1.6168546577	 1.6854892874	 0.099734
+H	-5.0829794638	 1.9663067589	 1.1077456979	 0.292272
+H	-5.3265917746	-1.2294247539	 1.6095959945	 0.123504
+H	-5.3201878434	-0.5177960832	-0.018168091	 0.12783
+H	-4.5237758843	-2.0812198255	 0.2833764138	 0.124057
+H	-1.8175119941	-1.081978938	 1.7805542915	 0.284703
+19
+0 1022	2.2247836	0.9761772	0.7305297	2.7522	82.17	-0.23638	0.05663	0.29301	1545.9019	0.15405	-422.522377	-422.511798	-422.510854	-422.560077	36.699
+C	 1.580397235	 0.2138646005	-0.1891354298	-0.498544
+C	 0.1332154052	 0.0989042576	-0.0802903295	 0.089087
+C	-1.0657397716	 0.0127562158	 0.0018304476	 0.035568
+C	-2.5013469347	-0.1185473858	 0.1250182852	-0.172558
+C	-3.1790419887	-1.5006464024	-0.0922958739	 0.121997
+O	-3.6754119741	-1.6718142478	-1.3961995872	-0.427904
+C	-4.1721499393	-1.1606662825	 1.0536913561	-0.323066
+C	-3.1708764151	-0.0705393401	 1.5272019466	 0.121998
+O	-3.6589887962	 1.2046297602	 1.8611717453	-0.427904
+H	 2.0368921896	 0.4420304146	 0.7806745935	 0.144818
+H	 2.0285991752	-0.7174618356	-0.5534500788	 0.144868
+H	 1.8660340842	 1.0114438512	-0.8840980487	 0.147656
+H	-3.0280782073	 0.603388581	-0.5098335641	 0.119661
+H	-2.4968829174	-2.3127970191	 0.1904169716	 0.074967
+H	-4.0313964543	-2.5626921251	-1.4724153289	 0.284087
+H	-5.0680048904	-0.6884101139	 0.6411804806	 0.114826
+H	-4.452037334	-1.9514594389	 1.7534170926	 0.09139
+H	-2.4862779314	-0.4549850926	 2.2942629303	 0.074966
+H	-4.0100609548	 1.1718072631	 2.7566426015	 0.284087
+19
+0 1023	3.1650247	0.7875695	0.6942795	1.4817	82.17	-0.23225	0.05223	0.28448	1668.4472	0.154436	-422.525141	-422.514725	-422.513781	-422.562281	36.495
+C	 1.565400988	 0.2034792201	 0.4018810052	-0.498849
+C	 0.1263484494	 0.1238461705	 0.1947016875	 0.109394
+C	-1.0658515963	 0.0691166729	 0.024823546	 0.02212
+C	-2.491922558	-0.0318593392	-0.1948124366	-0.21389
+C	-3.1105032828	 0.4337653773	-1.5547025657	-0.26337
+C	-4.0992004002	-0.7443274348	-1.4552030792	 0.116171
+O	-4.4165072031	-1.3591257153	-2.6774413326	-0.434904
+C	-3.121710154	-1.4389557572	-0.4878560806	 0.090378
+O	-3.7265329447	-2.1613175868	 0.5511723953	-0.436822
+H	 1.8063588408	 0.7163833012	 1.3397917532	 0.146491
+H	 2.0198976469	-0.7928562895	 0.444551526	 0.14454
+H	 2.0547670865	 0.7533589843	-0.4098924021	 0.147883
+H	-3.0482609092	 0.4191958813	 0.6345386988	 0.101977
+H	-3.5157450694	 1.4444520644	-1.6053989369	 0.110391
+H	-2.4124638775	 0.2752647501	-2.3795747085	 0.123373
+H	-5.0001151528	-0.4511480945	-0.8958702209	 0.07733
+H	-5.0465053765	-2.0658450452	-2.5027388925	 0.28666
+H	-2.4091121349	-2.0454152834	-1.0635147481	 0.081834
+H	-3.0351274422	-2.5658422463	 1.0852791717	 0.289294
+19
+0 1024	2.6560315	0.9966991	0.9551945	1.6256	80.38	-0.25164	0.02182	0.27346	1386.506	0.154263	-422.514983	-422.504691	-422.503747	-422.551776	35.688
+C	 1.3638691249	-0.1371906522	 0.0206541621	-0.501221
+C	-0.0908122027	-0.1130850707	 0.072226446	 0.082673
+C	-1.2961540444	-0.0627645094	 0.0857240599	 0.078081
+C	-2.7494993597	-0.0487530647	 0.1584546446	-0.118819
+O	-3.3948414111	-0.8191826238	-0.8820840682	-0.295778
+C	-3.8672930354	-1.8275225381	 0.0544723631	 0.106036
+C	-3.2327346688	-3.185395569	-0.1716031968	-0.392114
+C	-3.3496098771	-0.9882642027	 1.2576217953	 0.070906
+O	-2.4836114373	-1.5669444756	 2.1841503509	-0.424297
+H	 1.7971554908	 0.1011909264	 0.9979769171	 0.155839
+H	 1.7356893054	-1.1230063526	-0.278202799	 0.154852
+H	 1.7431290385	 0.5957674683	-0.6994182385	 0.158075
+H	-3.1228727325	 0.9821526552	 0.1741562092	 0.102155
+H	-4.9609030798	-1.9025823405	 0.0039855915	 0.076953
+H	-3.581698413	-3.8976661349	 0.5827922792	 0.124001
+H	-3.5053844698	-3.5643668927	-1.1610727514	 0.124955
+H	-2.1422977507	-3.1298321309	-0.1158687485	 0.114096
+H	-4.1563683616	-0.5125843682	 1.8198438861	 0.099301
+H	-1.6015776857	-1.5899252938	 1.7887396474	 0.284304
+19
+0 1025	4.2535774	0.6563129	0.6043674	1.691	83.27	-0.24433	0.02844	0.27277	1888.68	0.153049	-422.508954	-422.498097	-422.497153	-422.546599	37.015
+C	 1.539987742	-0.0335182366	-0.0205230244	-0.501697
+C	 0.0859098306	-0.0728944138	-0.0241999528	 0.142905
+C	-1.1181385833	-0.1031485458	-0.0212073954	 0.050589
+C	-2.5539282876	-0.136965381	-0.0500531335	-0.175974
+O	-3.2609291848	 0.6025909655	 0.9729010081	-0.245987
+C	-3.3495824155	-0.817993324	 0.988754145	 0.051943
+C	-4.7124011936	-1.416781412	 0.6941217753	 0.100192
+C	-5.6709707563	-1.2163551715	 1.866643854	-0.411156
+O	-4.581887592	-2.7856149345	 0.3283910114	-0.424583
+H	 1.9657550938	-1.0073855028	 0.2451234015	 0.150876
+H	 1.9315121287	 0.245016494	-1.0049130495	 0.152719
+H	 1.9102471454	 0.7002202481	 0.7038254462	 0.155144
+H	-3.0061041588	-0.0464006679	-1.0375745763	 0.11504
+H	-2.8003661223	-1.2941224659	 1.8055907454	 0.089397
+H	-5.1177478964	-0.9182469251	-0.1935994369	 0.096952
+H	-5.287323003	-1.7073331726	 2.7703704613	 0.106992
+H	-5.7880023378	-0.1515461824	 2.0879509872	 0.139896
+H	-6.6506171865	-1.6419890805	 1.6338883561	 0.126191
+H	-4.3560989324	-3.283735941	 1.1218316771	 0.280559
+19
+0 1026	2.598285	1.0735121	0.9373824	2.3084	79.41	-0.23894	0.04758	0.28652	1360.4011	0.155852	-422.531823	-422.52193	-422.520986	-422.569246	34.168
+C	 1.1420897929	 0.3464093501	-0.7006680425	-0.497982
+C	-0.2506094018	 0.1660725633	-0.3187632244	 0.001737
+C	-1.4059550852	 0.0209007586	-0.0120571964	 0.156976
+C	-2.8062483702	-0.1830369042	 0.3726257595	-0.092911
+C	-3.6680707546	 1.0933379693	 0.26670308	-0.246707
+C	-4.1040705211	 1.0937063552	-1.2128317998	 0.098062
+O	-3.2423015846	 1.8406416149	-2.0599167988	-0.42983
+C	-3.9689613716	-0.3929523458	-1.6152273451	-0.076295
+O	-3.4855974836	-1.1065649495	-0.4805813591	-0.247089
+H	 1.7210075148	 0.7971385938	 0.1131744398	 0.146509
+H	 1.6128379947	-0.6111384976	-0.9493554128	 0.150018
+H	 1.233880063	 0.999714841	-1.5753511291	 0.149903
+H	-2.844577994	-0.6150810339	 1.3781419457	 0.104072
+H	-4.5410499363	 0.983517516	 0.9171746839	 0.104464
+H	-3.1341359838	 2.0049622262	 0.54320214	 0.104478
+H	-5.1385966774	 1.4471275211	-1.3185171018	 0.07017
+H	-3.2948330326	 2.7652616261	-1.7983883645	 0.281507
+H	-4.9191078143	-0.8492291187	-1.9061088924	 0.104867
+H	-3.2675500245	-0.4548213559	-2.4566970624	 0.118053
+19
+0 1027	3.0803091	0.9143074	0.8324612	1.0066	80.82	-0.24431	0.04279	0.2871	1386.3091	0.1552	-422.532855	-422.522939	-422.521995	-422.570498	33.983
+C	 1.3301987247	 0.4169796823	 0.3359904006	-0.49742
+C	-0.0842095194	 0.1603632985	 0.1084809467	 0.02865
+C	-1.2559284693	-0.0508735053	-0.0701934393	 0.128845
+C	-2.6725720475	-0.3180964123	-0.3092888691	-0.081354
+C	-3.3672663698	 0.7528379422	-1.1874547897	-0.121396
+O	-3.8953716628	 1.6490968186	-0.2310731938	-0.245781
+C	-4.3344925789	 0.8364018801	 0.8318055891	 0.232483
+C	-4.3434832409	 1.6177689342	 2.1264664867	-0.401762
+O	-3.4270508552	-0.2621030201	 0.9079907618	-0.273357
+H	 1.543617602	 0.5166821768	 1.4058956295	 0.153227
+H	 1.9506386959	-0.3987638175	-0.0509992842	 0.149139
+H	 1.6522690631	 1.3424406291	-0.1538525315	 0.149237
+H	-2.7913573447	-1.3175400231	-0.7458538311	 0.105368
+H	-2.6827623427	 1.2932220588	-1.8414151671	 0.128257
+H	-4.1675538047	 0.2910513196	-1.7862353041	 0.094851
+H	-5.3393229355	 0.4352819812	 0.6008289816	 0.062354
+H	-4.645357216	 0.9657057021	 2.9497593209	 0.128735
+H	-3.3427090776	 2.0078735405	 2.3254118145	 0.13486
+H	-5.0505431607	 2.4488988944	 2.0577890885	 0.125064
+19
+0 1028	2.7555635	1.0051533	0.8864172	1.7548	79.46	-0.24656	0.04107	0.28763	1424.7967	0.155378	-422.52913	-422.519259	-422.518314	-422.567386	33.904
+C	 1.0651345683	-0.6261479245	 0.0269130283	-0.501022
+C	-0.3282037233	-0.208332707	-0.0097749988	 0.066384
+C	-1.4808317538	 0.1386351046	-0.0415478347	 0.114635
+C	-2.8815248422	 0.5923848259	-0.082820261	-0.038099
+O	-3.4968771309	 0.5444541911	 1.1870175597	-0.227499
+C	-3.9847181927	-0.7849818814	 1.3019013559	-0.125884
+C	-4.4297444678	-1.1295353577	-0.1317090276	 0.130831
+C	-4.1830974771	-2.5714865855	-0.5474945462	-0.40118
+O	-3.6637068585	-0.2237458513	-0.9420570612	-0.264292
+H	 1.436007693	-0.676037214	 1.0564723064	 0.152703
+H	 1.1954669112	-1.6162702247	-0.4232173101	 0.151356
+H	 1.7021709216	 0.0757187036	-0.5221637554	 0.153062
+H	-2.937285389	 1.6280141819	-0.4359015148	 0.112108
+H	-3.1912494386	-1.4665752072	 1.641740292	 0.102224
+H	-4.7994597901	-0.787827821	 2.0283753511	 0.117887
+H	-5.4894062331	-0.8754905892	-0.2688858611	 0.083788
+H	-4.7859156081	-3.2538119421	 0.062218633	 0.114355
+H	-4.456602908	-2.7208046645	-1.5953206299	 0.129869
+H	-3.1274036208	-2.831034447	-0.4255603856	 0.128775
+19
+0 1029	3.0336802	0.9925568	0.8726068	1.5562	81.06	-0.25093	0.02153	0.27246	1421.8219	0.153857	-422.516804	-422.506591	-422.505647	-422.552929	36.02
+C	 1.4344753726	 0.1677457771	-0.0412509456	-0.501782
+C	-0.0183076961	 0.0993324776	 0.0209998807	 0.10075
+C	-1.220143552	 0.0032503836	 0.063675539	 0.080914
+C	-2.6725076151	-0.0401253309	 0.1296082448	-0.16911
+O	-3.3162927058	 0.1035264372	-1.1599159761	-0.274891
+C	-3.7164600691	 1.4611308306	-0.874437371	-0.124075
+C	-3.3391033584	 1.3021231132	 0.6219828203	 0.350564
+C	-4.5213723803	 1.0914789695	 1.5500266437	-0.423573
+O	-2.5031599403	 2.2655945639	 1.1930497299	-0.466292
+H	 1.8553884898	 0.5056818529	 0.9118565476	 0.15528
+H	 1.8651345746	-0.8138375704	-0.2663200418	 0.157467
+H	 1.7665328853	 0.8643945774	-0.8184073459	 0.15488
+H	-3.0138975932	-0.9485439458	 0.6400261926	 0.098971
+H	-3.0914016347	 2.1958179171	-1.3994163132	 0.097476
+H	-4.7706315848	 1.6379959658	-1.1141363469	 0.104211
+H	-4.1769118051	 0.7428781076	 2.5279878813	 0.126046
+H	-5.0569078253	 2.0350288026	 1.6926982982	 0.127653
+H	-5.2143531731	 0.3553788086	 1.1331688244	 0.125816
+H	-1.6281321491	 2.1703386123	 0.7931325981	 0.279697
+19
+0 1030	3.0445976	0.9101516	0.7411962	2.7863	80.74	-0.23999	0.04583	0.28582	1549.6241	0.156003	-422.533368	-422.52338	-422.522436	-422.571212	34.263
+C	 1.5574413069	 0.5636832195	-0.1775207538	-0.498776
+C	 0.1369980281	 0.2590910261	-0.0779715711	 0.085264
+C	-1.0396071577	 0.0079089383	-0.0088834632	 0.02126
+C	-2.4539110698	-0.3028564997	 0.1032255615	-0.194087
+C	-2.9219334924	-1.5931112797	-0.5944285612	-0.093306
+O	-4.1972069684	-1.8468021871	-0.0331873255	-0.249423
+C	-4.1457510335	-1.5100370598	 1.3509772093	-0.097528
+C	-2.9474259205	-0.5573535936	 1.5571007823	 0.098673
+O	-3.3765448484	 0.6063782388	 2.2329110925	-0.434293
+H	 2.0224391147	 0.6309402015	 0.8123478543	 0.147299
+H	 2.0908298651	-0.2103918867	-0.7402625351	 0.150541
+H	 1.725395859	 1.5185184944	-0.6878103492	 0.149721
+H	-3.0594693697	 0.5260508164	-0.2845989931	 0.112187
+H	-3.037220963	-1.4856573914	-1.675292562	 0.119902
+H	-2.2152166154	-2.4154696666	-0.3961952	 0.094445
+H	-5.078498554	-1.0094980604	 1.6266636774	 0.122987
+H	-4.0379781487	-2.4176444147	 1.9604237508	 0.096456
+H	-2.1490518032	-1.0580880156	 2.1212547583	 0.07988
+H	-2.6037829391	 1.1628334703	 2.377800618	 0.288797
+19
+0 1031	3.144611	0.9206982	0.8455468	2.1171	80.16	-0.2428	0.04587	0.28867	1509.8543	0.155743	-422.53398	-422.524064	-422.52312	-422.571024	34.286
+C	 1.5338303136	 0.0422883989	 0.1112492866	-0.498799
+C	 0.0789593784	 0.0171886884	 0.0727019296	 0.047245
+C	-1.1248008481	-0.0153914646	 0.0485836566	 0.111694
+C	-2.588581749	-0.0412504184	 0.0047541295	-0.119218
+O	-3.0812094629	-1.3529784892	-0.2810004272	-0.259176
+C	-3.6438330786	-1.3953852651	-1.5971723329	-0.059947
+C	-3.2246157575	-0.0922602725	-2.2857841518	-0.238632
+C	-3.1621345067	 0.8772894332	-1.1071952702	 0.110512
+O	-4.4919754111	 1.2802603687	-0.8226015419	-0.44022
+H	 1.9007921008	 0.3475217202	 1.0973452785	 0.14972
+H	 1.9499521373	-0.94784273	-0.1048672292	 0.153043
+H	 1.9419580246	 0.7417026338	-0.6267088296	 0.147501
+H	-2.9906360734	 0.2622942392	 0.9816332458	 0.090542
+H	-3.2714999523	-2.2895757006	-2.1075186689	 0.103135
+H	-4.736292401	-1.4650481318	-1.5213283791	 0.107908
+H	-2.2317053621	-0.1871113614	-2.7336384532	 0.116587
+H	-3.9313340544	 0.2433988832	-3.0466494722	 0.114823
+H	-2.5099630704	 1.7399326876	-1.2885460254	 0.079361
+H	-4.4821324771	 1.8160938505	-0.0231854349	 0.283926
+19
+0 1032	2.9137735	0.9576361	0.7863589	1.8894	80.59	-0.24608	0.03664	0.28271999999999997	1463.9876	0.155428	-422.531154	-422.521225	-422.520281	-422.56848	33.948
+C	 1.4713047035	 0.013014067	 0.1200888445	-0.498417
+C	 0.0180270774	-0.008525897	 0.0463897874	 0.046336
+C	-1.1843022946	-0.0390449761	-0.0135367863	 0.100626
+C	-2.6394784535	-0.0532213092	-0.0967503989	-0.084254
+O	-3.2285368874	-1.0915796421	 0.7007780242	-0.258028
+C	-4.0576626214	-0.4590638541	 1.6559264896	 0.018039
+O	-4.4645556631	 0.7605460489	 1.0978908537	-0.247358
+C	-3.3034450447	 1.2537175274	 0.4408868199	 0.10669
+C	-3.6892996059	 2.2624229915	-0.6213911249	-0.416775
+H	 1.8352295993	 0.9332070704	 0.5900637781	 0.149086
+H	 1.8451894758	-0.831058279	 0.7099185234	 0.154913
+H	 1.9214221328	-0.0540848731	-0.8763528603	 0.150812
+H	-2.9488607651	-0.2256899107	-1.1364582407	 0.102894
+H	-4.9372860143	-1.0819129016	 1.8419490302	 0.118842
+H	-3.500235599	-0.2940066388	 2.596042851	 0.085966
+H	-2.6255065584	 1.7092870704	 1.1789422827	 0.081194
+H	-4.373157477	 1.8112586917	-1.3464283929	 0.128927
+H	-4.1836871454	 3.1257763265	-0.1685562632	 0.131346
+H	-2.7967483491	 2.6132869578	-1.1480029774	 0.12916
+19
+0 1033	4.6431996	0.7972876	0.7126114	1.9919	81.3	-0.24597	0.04081	0.28678	1607.3401	0.156939	-422.529268	-422.520045	-422.519101	-422.565829	32.633
+C	 1.5247819736	-0.0123351304	 0.0253006063	-0.502623
+C	 0.0695237087	-0.0152140407	 0.0229353543	 0.171157
+C	-1.1337219763	-0.0246044493	 0.0338253565	-0.004742
+C	-2.5898345273	-0.0081156237	 0.0121537441	-0.074808
+C	-3.1672920671	 1.3123107088	-0.5348476307	-0.204694
+C	-4.6896786963	 1.2873064796	-0.3799312954	-0.09598
+O	-5.0516202172	 0.9832551825	 0.960272568	-0.232535
+C	-4.484036153	-0.2321026947	 1.3678205072	 0.024878
+O	-3.0804317596	-0.2212875206	 1.3418182941	-0.247997
+H	 1.9131948032	 0.0051194079	 1.0494294957	 0.155138
+H	 1.9276704647	-0.9037550682	-0.467679387	 0.149616
+H	 1.9224072679	 0.86603548	-0.4947551161	 0.14936
+H	-2.9516047885	-0.8354307998	-0.6260705065	 0.088785
+H	-2.7470036336	 2.1409000734	 0.0423745628	 0.122674
+H	-2.8845099127	 1.4421987911	-1.5843803599	 0.106276
+H	-5.1342434472	 2.2581840191	-0.6128125443	 0.114379
+H	-5.1270439615	 0.5390795283	-1.0639631448	 0.088553
+H	-4.7795982319	-0.3943338898	 2.4059562323	 0.120033
+H	-4.8629237362	-1.0540589036	 0.7279292435	 0.072529
+19
+0 1034	4.479126	0.8117594	0.7206199	0.6179	81.96	-0.23191	0.03854	0.27045	1572.3992	0.156681	-422.521192	-422.511915	-422.510971	-422.557348	32.838
+C	 1.4979929018	-0.017790725	-0.0222122271	-0.502314
+C	 0.0444477621	 0.0374318737	 0.0190296345	 0.159549
+C	-1.1569608466	 0.0999612319	 0.0532737763	-0.004164
+C	-2.612104491	 0.1133606085	 0.0884847751	-0.073784
+C	-3.1806801925	-1.2357555824	 0.5646170976	-0.088608
+O	-4.593651146	-1.1846758955	 0.6308113618	-0.250494
+C	-5.029496757	-0.145315517	 1.4941900073	-0.078888
+C	-4.4743980793	 1.195260459	 1.0287522911	-0.072763
+O	-3.0563354912	 1.1542020755	 0.9628176332	-0.263098
+H	 1.9363194367	 0.7229636873	 0.6553645089	 0.154996
+H	 1.8685451853	-1.0035067638	 0.2795395783	 0.149897
+H	 1.8767178457	 0.1879168293	-1.0292907071	 0.150589
+H	-3.0104862087	 0.3053918462	-0.9233275846	 0.094966
+H	-2.9203987676	-2.0305190003	-0.1389913938	 0.116428
+H	-2.7482854614	-1.4712557731	 1.54960334	 0.100501
+H	-6.1233758896	-0.1496970343	 1.4684025457	 0.108023
+H	-4.6979455387	-0.3432483335	 2.5265531715	 0.095604
+H	-4.8958860547	 1.4434430169	 0.0406465184	 0.094423
+H	-4.7310095672	 1.9945578567	 1.7304857929	 0.109137
+19
+0 1035	2.9813065	0.9812045	0.9429694	1.501	79.96	-0.23813	0.0574	0.29553	1381.1713	0.157456	-422.528083	-422.518978	-422.518034	-422.563449	32.291
+C	 1.5508739808	 0.0488111843	-0.0347957808	-0.496403
+C	 0.0959528661	 0.00628167	-0.0035374029	 0.022157
+C	-1.106847995	-0.0344806991	 0.0258095902	 0.1312
+C	-2.5652172844	-0.075534249	 0.0561628393	-0.197877
+C	-3.1289991465	-1.3547010153	-0.606025616	-0.087266
+O	-2.8758842522	-2.4944810162	 0.1960308846	-0.22999
+C	-3.4148018134	-2.3406097919	 1.4818370944	 0.025647
+O	-2.8696627486	-1.250534029	 2.1760777215	-0.230003
+C	-3.1223971532	-0.032551281	 1.4984926101	-0.087268
+H	 1.969295867	 0.0622553786	 0.977681515	 0.14912
+H	 1.962522026	-0.8258426856	-0.5504725588	 0.148894
+H	 1.9142590893	 0.9418517983	-0.5554668971	 0.144673
+H	-2.9662153833	 0.7914319137	-0.4872672784	 0.100052
+H	-4.2154221226	-1.2290526234	-0.7547068128	 0.086255
+H	-2.6615546344	-1.5383241499	-1.575167937	 0.121175
+H	-4.5150893653	-2.2250313767	 1.412682682	 0.071943
+H	-3.1615668824	-3.2398686973	 2.0459885417	 0.120256
+H	-4.2084921724	 0.1589942285	 1.4547252387	 0.086254
+H	-2.6500635953	 0.7595234312	 2.0824235561	 0.121182
+19
+0 1036	4.5525006	0.8279342	0.7323441	1.0961	81.75	-0.25414	0.04414	0.29828	1588.4891	0.156686	-422.526512	-422.517313	-422.516369	-422.562104	32.735
+C	 1.4779359138	-0.0077555158	-0.0218728998	-0.505688
+C	 0.0235747488	-0.030247055	-0.0340821383	 0.221705
+C	-1.1779257142	-0.0549088881	-0.0564290952	-0.037506
+C	-2.6357378053	-0.0636106748	-0.0418606018	 0.014227
+O	-3.0887370723	-1.4004354327	-0.0745991433	-0.247023
+C	-4.5091794242	-1.4634736494	-0.0119952524	-0.071915
+C	-5.1315375178	-0.6622530426	-1.1573332206	-0.20631
+C	-4.5336611017	 0.7460900335	-1.1430501697	-0.071915
+O	-3.1118238238	 0.6834197556	-1.1412545067	-0.247029
+H	 1.8622631693	 0.401705625	 0.9185732391	 0.150173
+H	 1.8879033111	-1.0165807601	-0.1397075783	 0.154289
+H	 1.8683590853	 0.6083301577	-0.8390124116	 0.15422
+H	-3.011773784	 0.4088187184	 0.8892406915	 0.073276
+H	-4.7714006048	-2.5231444912	-0.060543247	 0.113145
+H	-4.8579590138	-1.0692642327	 0.958318163	 0.088672
+H	-4.8956873374	-1.1473164801	-2.1100173427	 0.117971
+H	-6.2214496875	-0.6204453659	-1.0520821461	 0.097889
+H	-4.8139783753	 1.3215600828	-2.0286438513	 0.113146
+H	-4.8842071861	 1.2965853454	-0.2527538485	 0.088673
+19
+0 1037	2.7650382	0.9088874	0.7608974	2.6774	81.07	-0.23306	-0.02251	0.21055	1559.7378	0.153018	-422.550744	-422.539741	-422.538797	-422.588832	37.524
+C	 1.7160108179	 0.3944683993	 0.4901532764	-0.49893
+C	 0.2971416838	 0.2083920245	 0.2170769382	 0.063592
+C	-0.8763273701	 0.0810638043	-0.0304102057	 0.028274
+C	-2.3067347101	-0.0817399564	-0.2720833016	-0.423241
+C	-3.0491747267	-0.5959418711	 0.9776404871	 0.364245
+O	-3.9484529338	 0.0340612192	 1.4753601754	-0.301269
+C	-2.5916627626	-1.945172381	 1.5657900814	 0.025977
+C	-3.7951023145	-2.8478224155	 1.8254892044	-0.376746
+O	-1.6923374431	-2.6443538923	 0.7270701457	-0.43062
+H	 1.9474854485	 0.203630728	 1.5436694167	 0.15304
+H	 2.3316414075	-0.2801784258	-0.1143337271	 0.153532
+H	 2.0262546511	 1.4203064768	 0.2641441856	 0.157034
+H	-2.7724563079	 0.8654266106	-0.5578524622	 0.149139
+H	-2.4666588877	-0.8066634025	-1.0804621313	 0.15634
+H	-2.1217878349	-1.6983581067	 2.5330280098	 0.100751
+H	-3.4760883262	-3.7505696644	 2.3512039443	 0.123942
+H	-4.5357425621	-2.3157530716	 2.4244656377	 0.140722
+H	-4.2529521678	-3.1454912861	 0.8772055713	 0.124993
+H	-0.8894375912	-2.1152791092	 0.6390407739	 0.289224
+19
+0 1038	2.6768152	0.9661828	0.8367679	2.0187	80.43	-0.24715	-0.03448	0.21267000000000003	1474.9958	0.152088	-422.551178	-422.540054	-422.53911	-422.58896	38.05
+C	 1.5202625968	-0.0825934978	 0.0542684481	-0.498577
+C	 0.0646630685	-0.0709050918	 0.0413553581	 0.118982
+C	-1.1391739983	-0.0700636687	 0.0279729403	 0.019335
+C	-2.5956511372	-0.0281501657	 0.0057543199	-0.385201
+C	-3.1653291473	 1.1029659233	-0.9022959555	 0.265962
+C	-4.6981044421	 1.1492268075	-0.7835108605	-0.420814
+O	-2.8007253233	 0.8825864154	-2.2395578183	-0.460067
+C	-2.5915236232	 2.4351764214	-0.4373283412	 0.146246
+O	-1.9437971727	 3.1441019894	-1.166444107	-0.269357
+H	 1.9110615177	-0.0647330653	 1.0776357283	 0.146839
+H	 1.9149656633	-0.9790487951	-0.4364398448	 0.149542
+H	 1.9268370673	 0.7886155984	-0.470867854	 0.152566
+H	-3.0019421383	-0.9712948117	-0.3786514499	 0.14126
+H	-2.9887557958	 0.0919954291	 1.0238218789	 0.121777
+H	-5.0213895308	 1.3475141019	 0.2434566969	 0.114881
+H	-5.1020719893	 1.9247862964	-1.439230607	 0.132296
+H	-5.1129813791	 0.1874320401	-1.0980674265	 0.136488
+H	-2.2041287556	 1.6104686768	-2.475090222	 0.293726
+H	-2.8092911207	 2.7207126464	 0.6128213062	 0.094115
+19
+0 1039	4.0954927	0.6876065	0.6149313	2.7721	82.2	-0.2422	-0.03095	0.21125	1824.3741	0.152614	-422.553332	-422.542151	-422.541207	-422.592056	37.532
+C	 1.5890298996	 0.1670485101	 0.1329301162	-0.497767
+C	 0.1383330533	 0.0483356691	 0.1127953649	 0.11138
+C	-1.0607826866	-0.0501264797	 0.0854477934	 0.046669
+C	-2.5105034888	-0.1859463391	 0.066518964	-0.380646
+C	-2.9658253014	-1.6707043777	 0.0317510253	 0.046539
+O	-2.5002976274	-2.3071442956	-1.1206712547	-0.428251
+C	-4.4934004938	-1.7842687009	 0.107971802	 0.360847
+C	-5.2118908858	-1.2134083872	 1.3083797143	-0.48378
+O	-5.0823761539	-2.3346643917	-0.7986919843	-0.315092
+H	 1.9877949031	 0.0392044455	 1.1454372032	 0.144652
+H	 2.0565781567	-0.5905216684	-0.5056162362	 0.151834
+H	 1.912832043	 1.1495657379	-0.228166931	 0.146741
+H	-2.9392947823	 0.3066807911	 0.9484488677	 0.121105
+H	-2.927837706	 0.3142254901	-0.8168885542	 0.134554
+H	-2.5585645612	-2.1641283075	 0.9305572222	 0.096613
+H	-3.2999969613	-2.6176397771	-1.5771522011	 0.292312
+H	-4.652870805	-1.3866224436	 2.2325030296	 0.14285
+H	-5.3174381657	-0.1284518319	 1.190068134	 0.157705
+H	-6.2087540164	-1.6504472233	 1.3802162647	 0.151737
+19
+0 1040	4.8347764	0.6623449	0.6172376	1.7919	81.41	-0.25219	0.04623	0.29842	1824.0284	0.153984	-422.508683	-422.498187	-422.497243	-422.546021	35.867
+C	 1.5250653395	 0.0211091685	-0.0755577672	-0.499573
+C	 0.0733165308	 0.0375083214	 0.0433474724	 0.12028
+C	-1.1269050371	 0.0125223342	 0.154398572	-0.013426
+C	-2.5803959451	 0.0708907185	 0.2640067404	-0.365782
+C	-3.0777017925	 1.5343779026	 0.3316457125	 0.11144
+O	-2.623760517	 2.2888368404	-0.7747243798	-0.441661
+C	-4.5874923291	 1.5861893538	 0.3061356004	 0.086744
+C	-5.3445114049	 2.5165407676	 1.147373872	-0.17899
+O	-5.2393765336	 1.1312691378	 1.4919276641	-0.242404
+H	 1.9461215466	-0.8836526386	 0.3763396457	 0.153237
+H	 1.841323194	 0.0454709697	-1.1240949104	 0.149657
+H	 1.976931639	 0.8826109492	 0.4281310544	 0.149796
+H	-3.0398530716	-0.4178734852	-0.6051552358	 0.129
+H	-2.9302341323	-0.4605429393	 1.1564150289	 0.144876
+H	-2.7283697903	 1.9686572552	 1.2819954039	 0.07548
+H	-1.6840344767	 2.0919386291	-0.8794050454	 0.286898
+H	-5.0360534092	 1.2424856716	-0.6273988924	 0.098111
+H	-4.8086845504	 3.2021844846	 1.8020503812	 0.118109
+H	-6.3340703402	 2.8450220389	 0.8345234131	 0.118207
+19
+0 1041	2.4432163	0.8788889	0.6979498	1.8887	80.82	-0.24848	0.01167	0.26015	1656.1171	0.153625	-422.563595	-422.552699	-422.551755	-422.602055	36.338
+C	 1.594791048	-0.4981127636	-0.1145209136	-0.497444
+C	 0.1657815545	-0.2369449845	-0.0170109378	 0.104985
+C	-1.0161722871	-0.0254076627	 0.0663675477	 0.034438
+C	-2.4457829466	 0.2483012685	 0.1522830865	-0.365123
+C	-2.793579439	 1.737223627	 0.0175653411	 0.136999
+C	-4.2947744238	 1.9967175719	-0.0043233051	-0.411418
+O	-2.205096054	 2.3943628674	 1.1711690814	-0.210296
+C	-1.8319056272	 3.6702887986	 1.0200563898	 0.187915
+O	-1.9552815959	 4.3412485824	 0.0313285919	-0.309529
+H	 1.9951442475	-0.8836110125	 0.8296748294	 0.147684
+H	 1.8134337058	-1.2369115687	-0.8934907641	 0.147257
+H	 2.1487028221	 0.4146360622	-0.3603009024	 0.149632
+H	-2.979976039	-0.2929747281	-0.6389706613	 0.129338
+H	-2.8485677014	-0.1181808886	 1.1053197603	 0.133347
+H	-2.3249900832	 2.1541245677	-0.8768316324	 0.121704
+H	-4.7669549713	 1.6252705692	 0.9106182696	 0.12482
+H	-4.4912850136	 3.0672137818	-0.0944982932	 0.143498
+H	-4.7525536822	 1.4920789611	-0.8606628055	 0.123036
+H	-1.3842209535	 4.0174437208	 1.9645663175	 0.109158
+19
+0 1042	5.3858937	0.5478832	0.5306637	3.4586	82.36	-0.24235	-0.0223	0.22005000000000002	2074.2396	0.152385	-422.539969	-422.528633	-422.527689	-422.579006	37.435
+C	 1.5461012634	 0.1176571934	-0.1076706058	-0.498341
+C	 0.0943712766	 0.0467763127	-0.0261293749	 0.12148
+C	-1.1058572986	-0.0130332136	 0.041729797	 0.034142
+C	-2.558974608	-0.096878278	 0.1104278688	-0.395774
+C	-3.1196851648	-1.4540275893	-0.3658440939	 0.121711
+O	-2.5741077403	-2.5448960649	 0.3583184098	-0.419569
+C	-4.6600296743	-1.4644033755	-0.3090522215	-0.293637
+C	-5.2501868449	-2.7465446873	-0.8597533702	 0.152352
+O	-6.1798007964	-2.7894003559	-1.6250903159	-0.242777
+H	 1.9766234092	 0.5380303914	 0.8079520388	 0.147338
+H	 1.9830947004	-0.8764266358	-0.2527832844	 0.15165
+H	 1.8688794452	 0.7469569494	-0.9443814479	 0.148129
+H	-2.9014209053	 0.0771830239	 1.1423804744	 0.115611
+H	-3.0139151494	 0.7002771993	-0.4917676665	 0.133973
+H	-2.794640764	-1.6160730473	-1.3998534996	 0.112526
+H	-2.6527677997	-2.3521978225	 1.299556653	 0.282068
+H	-4.9675668196	-1.3801655575	 0.7450881018	 0.111502
+H	-5.0944169981	-0.6195055013	-0.851960042	 0.121789
+H	-4.7519404616	-3.670974911	-0.4990722509	 0.095827
+19
+0 1043	3.0839215	0.8508229	0.7804806	2.6017	80.5	-0.22851	0.04121	0.26971999999999996	1551.2248	0.153889	-422.514935	-422.5046	-422.503655	-422.551251	36.905
+C	 1.5069893308	-0.01502221	 0.1903345653	-0.499049
+C	 0.0547780388	-0.0288063399	 0.0778337168	 0.101065
+C	-1.144310608	-0.0726017673	-0.0365634546	 0.013739
+C	-2.6036174294	-0.045533174	-0.1301124292	-0.418281
+C	-3.1395125341	 1.3738618921	-0.0167110775	 0.3723
+O	-2.6860757433	 2.0726802585	 1.1182274526	-0.472444
+C	-4.5492112059	 1.7055711206	-0.4235938237	-0.382477
+C	-3.3736563433	 2.2441738771	-1.2261022834	 0.093659
+O	-3.0308161145	 3.5890419493	-1.1394051216	-0.436696
+H	 1.8286563162	-0.0993431049	 1.2340555894	 0.150296
+H	 1.9509671587	-0.8505294506	-0.3617031938	 0.154125
+H	 1.9294794968	 0.9106345078	-0.2152512329	 0.152365
+H	-2.9357560668	-0.4822710241	-1.0794194682	 0.130185
+H	-3.0384502734	-0.6614051309	 0.6688031019	 0.135132
+H	-1.7309549071	 1.9201620979	 1.164519126	 0.287923
+H	-5.1653679218	 0.9180076196	-0.8456570138	 0.110514
+H	-5.075611648	 2.4193838841	 0.2009857359	 0.12495
+H	-3.1940558029	 1.840907916	-2.2185360602	 0.099364
+H	-2.7616986127	 3.7281966986	-0.2195838891	 0.283331
+19
+0 1044	3.5294277	0.8212082	0.7815859	0.9241	79.97	-0.2439	0.04997	0.29387	1551.6563	0.154118	-422.50969	-422.499465	-422.498521	-422.546461	35.437
+C	 1.5809521141	 0.1655460663	 0.0869259812	-0.496883
+C	 0.1272147116	 0.0930150861	 0.0532952127	 0.076375
+C	-1.0743449179	 0.0310572979	 0.0143910305	 0.062349
+C	-2.5305568454	-0.0434495321	-0.0109291774	-0.380503
+C	-3.0816969314	-1.3520180148	 0.5677609751	 0.34443
+O	-2.6812582837	-2.3884370394	-0.2863262268	-0.46541
+C	-2.8554306974	-1.507794427	 2.0928940983	-0.126199
+O	-4.2210605607	-1.1257259329	 2.3594219599	-0.271571
+C	-4.5775717119	-1.2632824328	 0.9704654961	-0.133587
+H	 1.9293965863	 0.9107608321	 0.8106868787	 0.145384
+H	 2.0198367774	-0.7985575964	 0.3669685075	 0.1477
+H	 1.9876401071	 0.4401825629	-0.8927134831	 0.148051
+H	-2.9583902543	 0.7886774123	 0.5613532444	 0.135393
+H	-2.901030109	 0.0520074378	-1.0394345419	 0.133419
+H	-2.9681759595	-3.2260518088	 0.0927706586	 0.281275
+H	-2.6496528361	-2.5459822285	 2.3957182228	 0.086775
+H	-2.1288745765	-0.8421181634	 2.5693689136	 0.119017
+H	-5.1283599632	-2.1952302982	 0.7719481566	 0.086883
+H	-5.1632614793	-0.413660441	 0.6010497634	 0.107103
+19
+0 1045	3.8514569	0.7475059	0.6808186	1.2921	80.42	-0.24309	0.05419	0.29728	1681.9762	0.153942	-422.510137	-422.49953	-422.498586	-422.547007	37.029
+C	 1.4561753552	 0.3395375433	 0.0447927416	-0.497815
+C	 0.0071213333	 0.190335333	 0.0174038645	 0.055992
+C	-1.1890458477	 0.0485350018	-0.0282409454	 0.061946
+C	-2.6455934522	-0.1020330789	-0.0330592644	-0.38578
+C	-3.2165202513	-0.2197813357	 1.3746711428	-0.062022
+C	-4.4855386633	 0.4956687233	 1.7486293261	 0.049213
+O	-5.3652567938	-0.195534784	 2.5837810177	-0.424917
+C	-3.1694454455	 0.9917282031	 2.28536087	 0.048969
+O	-2.6859370964	 2.2009705347	 1.7814073093	-0.426873
+H	 1.8397949892	 0.3282566051	 1.0709804783	 0.148006
+H	 1.9476258252	-0.4741674	-0.4998405423	 0.150681
+H	 1.7704585181	 1.282504305	-0.4160345753	 0.148418
+H	-3.0908391234	 0.7629887771	-0.5370848101	 0.137738
+H	-2.9308262986	-0.9818048233	-0.6228620464	 0.131771
+H	-3.0602840683	-1.1752496162	 1.8652964	 0.104859
+H	-4.9441082852	 1.1149318161	 0.9762307478	 0.09264
+H	-5.7810909236	 0.4458371406	 3.1703394069	 0.28797
+H	-2.9759986145	 0.8063463479	 3.3422272903	 0.085823
+H	-1.7776323572	 2.0492588772	 1.4907526385	 0.293382
+19
+0 1046	4.1621487	0.7270457	0.6506131	0.4506	80.82	-0.23796	0.04779	0.28575	1738.9931	0.154588	-422.506878	-422.496551	-422.495607	-422.544818	35.049
+C	 1.4887762018	-0.0783829284	-0.1031277737	-0.497468
+C	 0.0371591395	-0.0396649481	-0.0005467048	 0.122155
+C	-1.1626628437	-0.0102553789	 0.090140914	 0.019388
+C	-2.6157550115	 0.049352439	 0.1840520487	-0.374249
+C	-3.1860582421	 1.3837743668	-0.3075344401	 0.107706
+O	-2.893191379	 2.4894481338	 0.5769145018	-0.283731
+C	-4.2819890661	 2.6739347416	 0.9124479726	-0.108552
+C	-4.7156989173	 1.6004676	-0.1081557115	 0.064426
+O	-5.5222096111	 0.5340502805	 0.3161494618	-0.41888
+H	 1.9534044623	-0.2244402418	 0.8783606411	 0.146977
+H	 1.8227904174	-0.8955001995	-0.7522771069	 0.145119
+H	 1.8822575469	 0.8561241292	-0.5182283048	 0.148974
+H	-3.0734028765	-0.7530918434	-0.4098823994	 0.137482
+H	-2.9259342383	-0.1173336997	 1.2246420016	 0.109107
+H	-2.8169368998	 1.5862041951	-1.3199224386	 0.087491
+H	-4.5004412538	 2.4075507031	 1.9576860826	 0.091749
+H	-4.6221975884	 3.7000871306	 0.7324244431	 0.110307
+H	-5.2054221505	 2.0059906878	-0.9955527415	 0.105616
+H	-5.1968204898	 0.2188421723	 1.1660319541	 0.286385
+19
+0 1047	4.9512244	0.7081774	0.6503363	1.228	80.35	-0.24085	0.05728	0.29813	1737.1744	0.156019	-422.526156	-422.516334	-422.51539	-422.563647	33.084
+C	 1.5643911194	-0.1787735517	 0.0981208881	-0.497212
+C	 0.1160462539	-0.0825042836	-0.0133428621	 0.105803
+C	-1.0808616339	-0.0040188922	-0.1126624644	 0.039727
+C	-2.5296332228	 0.1118416304	-0.2189678648	-0.374899
+C	-3.039997157	 1.5583274293	-0.1134899241	 0.118493
+C	-4.5832888646	 1.661786873	-0.1519824427	-0.132883
+O	-4.8312932598	 2.7765997169	-0.9918462886	-0.23172
+C	-3.7825903565	 2.7462233042	-1.9254629565	 0.024294
+O	-2.6219387431	 2.3485592822	-1.2278729416	-0.257567
+H	 1.8634290629	-0.6546014385	 1.03875529	 0.144795
+H	 1.9882275077	-0.7702602544	-0.7210590322	 0.146899
+H	 2.0310375557	 0.8119787305	 0.0652621585	 0.149386
+H	-2.8781671285	-0.3091850159	-1.171152565	 0.127024
+H	-3.0106800311	-0.4780127742	 0.5746866006	 0.12464
+H	-2.631451944	 2.0192897036	 0.7928854654	 0.095193
+H	-5.0255856666	 0.7446564206	-0.5742647779	 0.094638
+H	-5.0331532084	 1.8546632287	 0.8238805344	 0.121647
+H	-4.006530002	 2.0328701983	-2.740792276	 0.081092
+H	-3.6380527612	 3.7501314828	-2.3351012511	 0.120647
+19
+0 1048	4.8465521	0.7250003	0.6595164	1.0923	80.86	-0.23865	0.06146	0.30011	1729.0276	0.155773	-422.529687	-422.519726	-422.518782	-422.568266	33.202
+C	 1.5795716839	 0.1629375684	-0.001335798	-0.496899
+C	 0.1256669656	 0.0885758985	 0.009536441	 0.0734
+C	-1.0762250905	 0.0279021378	 0.0101170908	 0.055431
+C	-2.5304465676	-0.0559973775	 0.023570589	-0.372115
+C	-3.0458027016	-1.435319158	 0.4343325949	 0.229369
+O	-4.4495876079	-1.3906185136	 0.5319175025	-0.247933
+C	-4.87754638	-2.7262255258	 0.3180127117	-0.110314
+C	-3.8752477345	-3.2434672435	-0.7272970517	-0.084681
+O	-2.734202109	-2.409620594	-0.5476765542	-0.263845
+H	 1.9852736243	 0.22300062	 1.0147304329	 0.144905
+H	 2.0192645679	-0.7179012268	-0.482194381	 0.14847
+H	 1.9279117476	 1.0462138269	-0.5482901955	 0.14648
+H	-2.9512765477	 0.6729203186	 0.7269433415	 0.135254
+H	-2.9484690842	 0.1687544648	-0.9643671016	 0.133867
+H	-2.6044150628	-1.7416794222	 1.399898262	 0.071939
+H	-4.8189353604	-3.3089516575	 1.2496681325	 0.101227
+H	-5.9129914071	-2.7104447209	-0.0279591576	 0.11986
+H	-3.6061256349	-4.2938826804	-0.5691222745	 0.107158
+H	-4.2527205712	-3.1273544249	-1.7506883649	 0.108428
+19
+0 1049	3.7891633	0.5622237	0.5096647	1.5874	82.99	-0.24142	-0.03405	0.20737	2129.591	0.152703	-422.539798	-422.528485	-422.527541	-422.579278	37.318
+C	 1.5584260067	 0.1105082526	-0.0820311929	-0.497209
+C	 0.1043715829	 0.0408299038	-0.045426407	 0.111327
+C	-1.0973560494	-0.0295360937	-0.0144132111	 0.021512
+C	-2.5539805163	-0.0776473504	 0.0215782906	-0.361872
+C	-3.1934621076	 1.320190303	-0.1088906625	-0.176661
+C	-4.7234869287	 1.2627893938	-0.0491889472	 0.016595
+O	-5.0895407875	 0.7188718462	 1.2111675089	-0.42476
+C	-5.2854979993	 2.6725692328	-0.2004799432	 0.123563
+O	-5.5781653969	 3.1822707335	-1.2498462873	-0.24097
+H	 1.9902104489	-0.0137407416	 0.9173281429	 0.146311
+H	 1.978751463	-0.6723991062	-0.72315115	 0.146746
+H	 1.9016174865	 1.075183931	-0.4722765517	 0.146557
+H	-2.9262493745	-0.7194769335	-0.7885707791	 0.122043
+H	-2.897661358	-0.5339045266	 0.9560465758	 0.147177
+H	-2.8268517292	 1.9630695886	 0.6993001346	 0.119624
+H	-2.8981399029	 1.7827675128	-1.0554558831	 0.127879
+H	-5.0998402165	 0.6533866256	-0.88416513	 0.093002
+H	-6.0305414932	 0.5179508467	 1.1990667124	 0.293914
+H	-5.394621358	 3.2042503315	 0.7737572596	 0.085223
+19
+0 1050	4.0862649	0.5956688	0.5445331	2.3721	83.21	-0.24435	-0.03283	0.21152	2038.3775	0.151889	-422.523642	-422.512341	-422.511397	-422.56262	37.061
+C	 1.5705395574	-0.0966615914	-0.0099988079	-0.498799
+C	 0.1180442295	-0.0417489425	 0.0550296632	 0.131979
+C	-1.0832612498	-0.0034794466	 0.1083366385	 0.010536
+C	-2.533848633	 0.0718682528	 0.1762222983	-0.224828
+O	-3.0989995781	-1.2171729346	-0.045383037	-0.254613
+C	-4.5126080351	-1.2169937258	-0.0007996165	 0.071743
+C	-4.9730314771	-2.6724178182	 0.0847782185	-0.414737
+C	-5.0892227834	-0.5839335955	-1.2664691307	 0.131346
+O	-6.1419872703	-0.0056286023	-1.3243938074	-0.23925
+H	 2.025438842	 0.2630036748	 0.9192965435	 0.150875
+H	 1.9148018771	-1.1239241653	-0.1717659895	 0.15519
+H	 1.9572746756	 0.5162356459	-0.8313698551	 0.150887
+H	-2.8505982963	 0.4519168669	 1.1620011577	 0.12218
+H	-2.9064371408	 0.7933121222	-0.5705031201	 0.123178
+H	-4.8860248733	-0.6512703365	 0.8667686778	 0.089362
+H	-4.5390564981	-3.1406816913	 0.9715225418	 0.136513
+H	-6.0630151366	-2.7216974712	 0.1466554946	 0.13718
+H	-4.6414041012	-3.2314656669	-0.7955583007	 0.133328
+H	-4.4441554284	-0.7410056747	-2.1633218791	 0.087929
+19
+0 1051	5.7762011	0.5494207	0.5267706	0.8582	82.63	-0.24041	0.04178	0.28219	2105.7216	0.153223	-422.490384	-422.479704	-422.47876	-422.52824	36.38
+C	 1.5110997916	-0.1493089703	-0.0447658375	-0.498638
+C	 0.0576710405	-0.0800007146	-0.0262444344	 0.126809
+C	-1.1440010365	-0.0245833952	-0.0034112684	 0.007401
+C	-2.5969885877	 0.0548090415	-0.0017440467	-0.214197
+O	-3.1148072175	-0.5125957995	 1.1993200344	-0.24719
+C	-4.5044394344	-0.4764992645	 1.2419297949	 0.124842
+C	-5.1778508588	-1.5042465335	 2.1039865749	-0.35218
+C	-5.2978260328	-1.5731550638	 0.5934803376	 0.063283
+O	-6.4897449826	-1.2006631599	-0.0317090544	-0.42095
+H	 1.8963908278	-0.5214070243	 0.9108912056	 0.153136
+H	 1.8707825381	-0.8215093544	-0.831482055	 0.147988
+H	 1.9555523245	 0.836774247	-0.2188425752	 0.148714
+H	-2.918683608	 1.1060398436	-0.0879519267	 0.117433
+H	-3.0099034997	-0.4735685501	-0.8756099174	 0.121896
+H	-4.9509074714	 0.5185897849	 1.2052772938	 0.094759
+H	-4.541658652	-2.2352767454	 2.5899906427	 0.127184
+H	-6.0475999701	-1.1856533459	 2.6677833712	 0.116373
+H	-4.7230718992	-2.3560399077	 0.0983525512	 0.094401
+H	-7.1487184818	-1.877806088	 0.1548921795	 0.288936
+19
+0 1052	6.2765379	0.5566724	0.5431929	2.4175	81.94	-0.24708	0.03395	0.28103	2055.0632	0.154326	-422.484479	-422.474187	-422.473243	-422.522693	34.019
+C	 1.5554734215	-0.0267781344	 0.0508245312	-0.498939
+C	 0.1011560939	 0.0006364481	 0.0122786782	 0.138645
+C	-1.1014913883	 0.0197964433	-0.0118601676	 0.001105
+C	-2.5549073391	 0.0539905218	-0.0673634026	-0.221602
+O	-3.1028600102	-0.4986308567	 1.1228240267	-0.250292
+C	-4.5022374703	-0.4620548571	 1.1453697997	 0.109494
+C	-5.1012497907	-1.0921333466	 2.4107030308	-0.102359
+O	-5.918503685	-1.9878990372	 1.6277955836	-0.272741
+C	-5.2768707385	-1.5807947827	 0.4018922215	-0.095354
+H	 1.9121396153	-0.4690144301	 0.9874144884	 0.155112
+H	 1.9660506446	-0.6200949352	-0.7734051052	 0.149932
+H	 1.9762634623	 0.982066913	-0.0208121747	 0.14977
+H	-2.9059562048	 1.0926940483	-0.1936911771	 0.116564
+H	-2.909115175	-0.5072366404	-0.9481722176	 0.11903
+H	-4.8716322112	 0.5491986051	 0.9222574652	 0.075464
+H	-4.3496910867	-1.6228949133	 3.0081540152	 0.114451
+H	-5.7009562441	-0.4442724979	 3.0589279718	 0.105534
+H	-4.6198140036	-2.3618689261	-0.0040840156	 0.104337
+H	-6.0038176	-1.2757548318	-0.3595063719	 0.10185
+19
+0 1053	6.2126878	0.5139037	0.480295	1.8017	82.17	-0.25004	0.01636	0.26639999999999997	2233.0704	0.153212	-422.568812	-422.557445	-422.556501	-422.609167	36.624
+C	 1.4103245921	-6.9882537446	-0.2665841757	-0.496782
+C	 0.6606953388	-5.7410179859	-0.2188145053	 0.085467
+C	 0.0313406105	-4.7156231219	-0.1798518761	 0.031192
+C	-0.6976358428	-3.4538519385	-0.1308202088	-0.356796
+C	 0.2502115343	-2.2563557146	-0.0451294143	-0.05128
+O	-0.5716448923	-1.0777042181	-0.0026865464	-0.238684
+C	 0.0897830373	 0.0981956444	 0.0750920951	 0.425233
+C	-0.8816110555	 1.2534994969	 0.112562407	-0.478699
+O	 1.2904901583	 0.1854412347	 0.1084569653	-0.346066
+H	 1.1579177694	-7.6378282149	 0.5787869474	 0.148272
+H	 1.2003232498	-7.5447252641	-1.1866642297	 0.148272
+H	 2.4896538116	-6.8037608085	-0.2309293764	 0.149798
+H	-1.3308334525	-3.3415957374	-1.0196061184	 0.135288
+H	-1.3727000788	-3.4339161891	 0.7336865864	 0.135289
+H	 0.8735153808	-2.3036124222	 0.8520510654	 0.131005
+H	 0.9156275911	-2.2107414213	-0.9116260638	 0.130999
+H	-0.3287358606	 2.1897824784	 0.1759589774	 0.148622
+H	-1.5060672276	 1.248119258	-0.7853196162	 0.149446
+H	-1.5495927539	 1.1546480386	 0.972894857	 0.149423
+19
+0 1054	1.873485	1.2094981	0.8814951	2.0869	79.16	-0.23187	-0.00908	0.22279	1403.533	0.152394	-422.531077	-422.519873	-422.518929	-422.569973	36.952
+C	 0.4269326493	 0.6468545637	 1.361471506	-0.500529
+C	-0.7848815342	 0.4353771743	 0.5837744271	 0.054091
+C	-1.7909731107	 0.2561120005	-0.054518604	 0.067746
+C	-3.0298664873	 0.0245855977	-0.7981693208	-0.224392
+O	-4.1488706173	 0.7734127587	-0.3404568958	-0.227473
+C	-4.5300739458	 0.500175338	 0.9940443497	-0.174718
+C	-3.9334059516	 1.4464363661	 2.0458066774	 0.370453
+C	-3.5688412658	 2.8406231037	 1.5831034855	-0.4731
+O	-3.8384526547	 1.0824705123	 3.1945823975	-0.300608
+H	 0.1824322589	 0.9308290966	 2.3906766417	 0.163428
+H	 1.0316048759	-0.2654160122	 1.4043596492	 0.154081
+H	 1.0473983613	 1.4405922727	 0.9319513077	 0.150827
+H	-2.9045415669	 0.3104564266	-1.8477566259	 0.139103
+H	-3.2688377905	-1.051079138	-0.7789451507	 0.123157
+H	-5.6199267408	 0.6343200884	 1.0390622885	 0.130793
+H	-4.3111903166	-0.5327781846	 1.2915206315	 0.122393
+H	-3.3016613211	 3.4528073842	 2.4453654855	 0.132445
+H	-2.7308469807	 2.7898146052	 0.8824575912	 0.15511
+H	-4.4044362312	 3.2936599061	 1.0386013186	 0.137193
+19
+0 1055	6.2029737	0.5053668	0.4819424	2.21	83.02	-0.24526	0.03735	0.28261000000000003	2269.1008	0.153477	-422.482847	-422.47222	-422.471276	-422.521375	34.996
+C	 1.5671746034	 0.0027187208	-0.0158040374	-0.498926
+C	 0.1125413644	-0.0233048358	-0.0426575941	 0.139098
+C	-1.0901337126	-0.0499547447	-0.0566372366	 0.002818
+C	-2.5449836174	-0.0608659585	-0.0947635716	-0.205297
+O	-3.0535066114	-0.9856708065	 0.851459431	-0.246651
+C	-4.4621439713	-1.0567785331	 0.8286315162	-0.063094
+C	-4.9048755766	-2.0560669145	 1.8606479979	 0.082245
+C	-6.2499537879	-2.0001056269	 2.4435191377	-0.182446
+O	-5.1108891892	-1.5722080853	 3.1879783805	-0.224656
+H	 1.9535634304	-0.6356329649	 0.7862331527	 0.154732
+H	 1.992132666	-0.3563772051	-0.9594926879	 0.148071
+H	 1.9450834404	 1.0163195248	 0.1570234865	 0.14921
+H	-2.9354642511	 0.9500565253	 0.115310962	 0.115544
+H	-2.8932431311	-0.3257605405	-1.1089833085	 0.110918
+H	-4.9159972897	-0.077294928	 1.0521064997	 0.095842
+H	-4.8170470654	-1.3718258087	-0.1694100498	 0.088713
+H	-4.3963443146	-3.018848149	 1.8068235479	 0.103811
+H	-6.9364348651	-1.2088022736	 2.1429474973	 0.112684
+H	-6.7254231915	-2.9169615058	 2.7885703267	 0.117384
+19
+0 1056	4.4095995	0.512506	0.4892203	1.8345	81.65	-0.24685	0.00786	0.25471	2161.6444	0.154467	-422.556966	-422.546109	-422.545165	-422.596358	35.486
+C	 1.3942435915	 0.4032010895	-0.0218152453	-0.497046
+C	-0.0490838715	 0.2116862473	-0.0000701167	 0.114826
+C	-1.2414915242	 0.0478063138	 0.0260570041	 0.022283
+C	-2.6892461802	-0.1280512685	 0.0347737667	-0.358104
+C	-3.4084125216	 0.7882420244	-0.9760498649	-0.18767
+C	-4.915842301	 0.5627025748	-0.9543596638	-0.077125
+O	-5.579898354	 1.3647385589	-1.95633674	-0.206819
+C	-5.9160842168	 2.610806835	-1.596035822	 0.182243
+O	-5.7212583848	 3.1221571832	-0.5273094606	-0.306418
+H	 1.7702431253	 0.7132947117	 0.9594883644	 0.147539
+H	 1.9155541915	-0.519792552	-0.2990830375	 0.146339
+H	 1.6825176712	 1.1748445929	-0.7443087094	 0.147335
+H	-2.9342717813	-1.176661886	-0.1843544597	 0.125101
+H	-3.0788879138	 0.0678315264	 1.0429095958	 0.132537
+H	-3.1958400803	 1.8337693657	-0.7357373256	 0.13444
+H	-3.0248811915	 0.5973617704	-1.9834559881	 0.117896
+H	-5.1676103367	-0.4688557284	-1.2142990278	 0.117407
+H	-5.3353255596	 0.8027406706	 0.0262056242	 0.133922
+H	-6.4128976218	 3.0989682601	-2.4488307239	 0.111314
+19
+0 1057	11.3061082	0.4086748	0.3983356	3.0354	82.78	-0.25097	-0.02899	0.22198000000000004	2575.1729	0.152247	-422.52337	-422.511951	-422.511007	-422.56379	36.343
+C	-5.0628291893	-5.3236373472	 0.1202076951	-0.496542
+C	-3.8663625678	-4.5584445201	 0.4413097779	 0.080007
+C	-2.8745375221	-3.9344695463	 0.7174550509	 0.033769
+C	-1.6807097613	-3.156488959	 1.0237834069	-0.35263
+C	-1.4921221568	-1.9841348275	 0.0565721038	-0.044728
+O	-0.316319016	-1.2978726897	 0.4356391058	-0.245329
+C	-0.0235962835	-0.1912569657	-0.3755524645	-0.14503
+C	 1.2544333369	 0.4493203595	 0.1383692317	 0.139
+O	 1.7578467547	 1.422000156	-0.3562607175	-0.236417
+H	-5.7695008576	-5.3287237706	 0.9574234107	 0.14863
+H	-5.5825197415	-4.9034165382	-0.747972106	 0.147762
+H	-4.8187799231	-6.3657947627	-0.1136490395	 0.148632
+H	-1.7299906921	-2.7592867883	 2.0450194181	 0.136531
+H	-0.7857522986	-3.789199449	 0.980772849	 0.136531
+H	-1.4099564521	-2.3542019838	-0.9772821417	 0.103147
+H	-2.3643064597	-1.3132391269	 0.0983888559	 0.103147
+H	 0.1232324188	-0.4769185389	-1.4312677581	 0.123292
+H	-0.8295030899	 0.5623200253	-0.3573558954	 0.123292
+H	 1.6861506811	-0.0689480171	 1.0228655967	 0.096936
+19
+0 1058	8.8646096	0.4204081	0.4088021	3.155	83.98	-0.25028	-0.02647	0.22381	2584.6892	0.152393	-422.518995	-422.507666	-422.506722	-422.559076	36.184
+C	 1.5240890504	 0.1320781196	-0.0373501963	-0.498943
+C	 0.0706126582	 0.0671642396	-0.0141370683	 0.139051
+C	-1.1313322954	 0.0165885767	-0.0023176946	 0.000267
+C	-2.5837871054	-0.0618466387	 0.0354484167	-0.210689
+O	-3.1423189927	 0.7015835501	-1.0228516174	-0.242855
+C	-4.5512500898	 0.6630690635	-1.0275996034	-0.04665
+C	-5.0405619517	 1.4876898503	-2.217535055	-0.281545
+C	-6.5344312031	 1.7144290345	-2.1760976499	 0.15295
+O	-7.2991982959	 1.4387082106	-3.063264188	-0.231787
+H	 1.9094518883	 0.7842569387	 0.7538928206	 0.149611
+H	 1.9684209997	-0.8596706765	 0.1005890753	 0.150481
+H	 1.8821318051	 0.5244310885	-0.9953907743	 0.154752
+H	-2.9080041224	-1.1137850956	-0.0449533248	 0.116617
+H	-2.9571414663	 0.3078795979	 1.0063897763	 0.114389
+H	-4.9135722001	-0.3756575388	-1.1059942802	 0.102393
+H	-4.9531976227	 1.074587336	-0.0844179146	 0.090524
+H	-4.5497307427	 2.4694349396	-2.1633623405	 0.135153
+H	-4.7697905578	 1.016767224	-3.1650183414	 0.133266
+H	-6.9013635258	 2.18089609	-1.2309139602	 0.073015
+19
+0 1059	3.2524339	0.7149562	0.6744292	3.0506	83.78	-0.25805	-0.05016	0.20789	1754.2654	0.151877	-422.552027	-422.540774	-422.53983	-422.58987	38.859
+C	 3.1449945145	-3.3138309154	 0.2714189907	-0.477622
+C	 1.6592942269	-3.017178861	 0.2881589711	 0.249029
+O	 0.815886017	-3.8752560725	 0.4399823749	-0.276385
+C	 1.2988479264	-1.6224132286	 0.1084614593	-0.041586
+C	 0.9965392805	-0.4629861138	-0.0477302785	 0.12227
+C	 0.5670848909	 0.9361890765	-0.2059755367	 0.160791
+C	 0.6431189187	 1.6479834672	 1.1592561485	-0.402475
+C	 1.4326975302	 1.6521483493	-1.2518900059	-0.385665
+O	-0.7659654898	 0.9865062962	-0.7190031506	-0.436433
+H	 3.6524804806	-2.7420370503	 1.055829442	 0.145234
+H	 3.3059174363	-4.3821423623	 0.4227959448	 0.143922
+H	 3.5793065204	-3.0004290061	-0.684123159	 0.147583
+H	 0.0082519581	 1.1423846696	 1.8929936669	 0.12138
+H	 1.666510878	 1.6587133942	 1.5445456065	 0.125885
+H	 0.2929711571	 2.6770703498	 1.0416188912	 0.12925
+H	 1.3635100289	 1.1378612678	-2.2126338599	 0.136169
+H	 1.0674833504	 2.6751940968	-1.3761793117	 0.128636
+H	 2.4782016222	 1.6803566453	-0.936538414	 0.122687
+H	-1.3216744072	 0.4337138374	-0.1582225396	 0.28733
+19
+0 1060	2.8069141	1.257018	0.9919271	1.543	77.27	-0.23475	-0.06967	0.16508	1250.1664	0.153604	-422.576499	-422.566457	-422.565513	-422.612439	35.643
+C	-1.0705122628	 1.0124003745	-0.4486432249	-0.479527
+C	-2.1463220424	-0.0064329025	-0.7353723588	 0.3052
+O	-3.0497700052	 0.1672961602	-1.5197147318	-0.285103
+C	-1.9711858089	-1.3751377991	-0.0314689154	 0.231922
+O	-0.8302426694	-1.7706598581	 0.1177273767	-0.322276
+C	-3.1658028774	-2.1801209524	 0.3620450421	 0.228756
+C	-4.5551482537	-1.5710358809	 0.3077255458	-0.47747
+C	-2.8687991776	-3.2019035011	 1.4591602016	-0.276866
+C	-3.0209859848	-3.6755283625	 0.0569910036	-0.268646
+H	-1.1148522043	 1.3090284442	 0.6062595832	 0.144684
+H	-0.086673227	 0.5629021315	-0.6042337623	 0.168577
+H	-1.2100724627	 1.8870743445	-1.0843264837	 0.140627
+H	-4.6176993164	-0.6550420053	 0.9053056215	 0.116545
+H	-4.8474479634	-1.3214156981	-0.7128314818	 0.150657
+H	-5.2827397564	-2.2777323576	 0.7182052332	 0.109244
+H	-1.8674958668	-3.1827252145	 1.8726637009	 0.137456
+H	-3.6695826966	-3.3886768099	 2.1657378582	 0.117678
+H	-2.1242701825	-3.9750985783	-0.4725099064	 0.136331
+H	-3.9300337314	-4.1913286145	-0.2320196117	 0.122211
+19
+0 1061	3.4145363	1.0332783	0.8760285	0.3635	76.99	-0.23597	-0.08046	0.15551	1370.9519	0.154761	-422.575248	-422.565478	-422.564534	-422.611751	33.76
+C	 0.3662964632	 0.4575268119	-3.4988438661	-0.474783
+C	 0.8020142949	 0.1017329936	-2.0993281702	 0.306417
+O	 1.9182527529	 0.2798191326	-1.6690118148	-0.276467
+C	-0.2811074715	-0.5294858265	-1.1861428054	 0.248763
+O	-1.398161098	-0.7012336712	-1.6225324244	-0.291634
+C	 0.1365707377	-0.8413147321	 0.2222448299	-0.054298
+C	-0.8459708985	-1.6302755619	 1.1209191724	-0.243662
+C	-0.5548284546	-0.6316996443	 2.2734816165	-0.208087
+C	 0.0370552858	 0.3579621092	 1.2351572043	-0.225383
+H	-0.0071121449	-0.4341730265	-4.0123847661	 0.15623
+H	-0.4734115417	 1.158829439	-3.4626589335	 0.155643
+H	 1.2028055973	 0.8913072265	-4.0469634232	 0.139958
+H	 1.1532229696	-1.2388434304	 0.2249116959	 0.102748
+H	-1.8651785958	-1.5428168078	 0.7368627313	 0.123423
+H	-0.6213398825	-2.6848267449	 1.2935930492	 0.102108
+H	-1.4044996401	-0.2839390223	 2.8649249034	 0.10313
+H	 0.2130862133	-1.0065721617	 2.9555539891	 0.107112
+H	-0.6993524725	 1.0980839555	 0.9092504857	 0.110902
+H	 0.9707080054	 0.8681151314	 1.475921066	 0.117879
+19
+0 1062	3.0982619	0.9763122	0.8628244	0.319	76.49	-0.23525	-0.08165	0.1536	1417.1073	0.154142	-422.571934	-422.561933	-422.560989	-422.608441	34.74
+C	-1.3797996192	-2.1941571421	-0.2584426285	-0.473664
+C	-0.2716384706	-1.3699805164	-0.8639555976	 0.298344
+O	 0.2104497762	-1.5751445127	-1.9545576	-0.277636
+C	 0.2498219233	-0.1909452532	-0.0030767808	 0.293399
+O	-0.2493853135	 0.0187360665	 1.0787347062	-0.283693
+C	 1.392968589	 0.6190859013	-0.5800188845	-0.320048
+C	 2.7047595775	-0.1522526541	-0.4909530769	 0.010709
+C	 3.9950730999	 0.5886669263	-0.2485015718	-0.271193
+C	 3.4101289141	-0.2810842911	 0.8363902697	-0.253672
+H	-1.0486199206	-2.6222445721	 0.6931855906	 0.156676
+H	-2.2357555015	-1.5549611951	-0.0203360693	 0.156753
+H	-1.6729776991	-2.9839337598	-0.9502147052	 0.140105
+H	 1.1807309985	 0.8580671269	-1.6270338383	 0.129044
+H	 1.4561152965	 1.5462810836	-0.0035841703	 0.11557
+H	 2.7554240322	-1.0079643684	-1.1553710666	 0.109771
+H	 4.8848834548	 0.2448083399	-0.7640005575	 0.116477
+H	 3.94547844	 1.6646908147	-0.1183140325	 0.114593
+H	 3.9030475947	-1.2181354624	 1.0700576957	 0.114533
+H	 2.9617370077	 0.2107623484	 1.6933880877	 0.12393
+19
+0 1063	3.0386119	1.0530795	0.9843668	2.1213	77.8	-0.24565	-0.01825	0.22740000000000002	1291.0559	0.151671	-422.554776	-422.543986	-422.543042	-422.590994	38.835
+C	-0.9203342085	-2.0822004876	 1.836639136	-0.47632
+C	-0.1695246015	-0.8288344655	 1.45310321	 0.377521
+O	 0.8980373163	-0.8497252645	 0.883273596	-0.32332
+C	-0.8153809405	 0.5293396223	 1.7948605566	 0.237149
+C	-1.2741062814	 1.1872627915	 0.4828745899	-0.420885
+O	-1.9172142177	 0.2841206196	 2.6542449954	-0.470355
+C	 0.2549240907	 1.3955475179	 2.5212225856	-0.368072
+C	-0.3040892431	 2.6589612163	 2.9824343708	 0.268235
+C	-0.8309331887	 3.6714818605	 3.3638034791	-0.430073
+H	-1.0447612675	-2.1212612542	 2.9231777649	 0.154177
+H	-1.9323252559	-2.0628899427	 1.420489765	 0.148757
+H	-0.3737040749	-2.9559708281	 1.4810384759	 0.133919
+H	-2.0667003195	 0.5907192944	 0.0226448742	 0.124672
+H	-1.6667896369	 2.1885988014	 0.6838917442	 0.126866
+H	-0.4398967276	 1.2691093301	-0.218408696	 0.138459
+H	-2.2380879551	 1.1421631585	 2.9587239593	 0.286201
+H	 0.6354272774	 0.8317347277	 3.3810950075	 0.137268
+H	 1.0998921098	 1.5545446813	 1.8452365987	 0.154387
+H	-1.2570100352	 4.5834830709	 3.702761357	 0.201415
+19
+0 1064	2.1123421	1.2901638	0.9349425	1.8775	77.04	-0.24894	-0.04991	0.19902999999999998	1310.4076	0.153593	-422.568433	-422.558406	-422.557462	-422.604529	34.819
+C	-0.5463088516	 3.2497795375	-0.4556315931	-0.486184
+C	-1.1735081259	 2.2065149914	 0.4400091204	 0.375898
+O	-2.36141085	 2.1201708731	 0.6339875296	-0.28971
+C	-0.1867833462	 1.2067359971	 1.0935468385	-0.208768
+C	 0.155641759	 0.1631347919	 0.0258355792	 0.152491
+O	 0.9243388793	 0.3473211398	-0.8820699679	-0.246788
+C	-0.7616740295	 0.5666946569	 2.3357575391	 0.024622
+C	 0.1349215902	-0.194386864	 3.2826175963	-0.286941
+C	-0.4534936338	 1.1309208822	 3.6973982311	-0.273061
+H	-0.0065736776	 3.9766755927	 0.1636770266	 0.143945
+H	 0.1916183714	 2.7851279786	-1.1170986411	 0.166405
+H	-1.3158573746	 3.7675355837	-1.0293360205	 0.142645
+H	 0.7462675306	 1.7422142734	 1.3045918806	 0.105907
+H	-0.3859976729	-0.8007434482	 0.1413456005	 0.098229
+H	-1.7672145085	 0.1851262648	 2.1945458672	 0.111875
+H	-0.2510955373	-1.0982964838	 3.740134977	 0.118959
+H	 1.1977678664	-0.228482527	 3.0647079205	 0.115349
+H	-1.2459163333	 1.1366644839	 4.4368418284	 0.122783
+H	 0.2140257843	 1.9845073361	 3.7574152976	 0.112343
+19
+0 1065	2.664241	1.5210205	1.3010419	3.1139	75.16	-0.23774	-0.00966	0.22808	1063.9508	0.15432	-422.506978	-422.498009	-422.497064	-422.540655	33.456
+C	 1.0643471547	 2.2408402435	-1.1273769045	-0.48751
+C	 0.8528291346	 1.3720582857	 0.09382332	 0.35498
+O	 1.432747602	 1.5673414059	 1.1374538849	-0.322949
+C	-0.0909652069	 0.1651162189	-0.0202048117	 0.249515
+C	 0.7292324064	-1.1211757395	 0.0159558514	-0.49676
+C	-1.37822239	 0.3490300153	 0.8420463909	 0.02932
+C	-2.16431171	-0.616384845	-0.0715456363	-0.244084
+C	-1.3320332271	 0.344928783	-0.951524869	-0.006247
+O	-1.7702945408	 1.4584803504	-0.0717161934	-0.321247
+H	 1.2867995815	 1.6297866208	-2.00964567	 0.127309
+H	 0.1394794612	 2.7884440456	-1.3334185454	 0.162582
+H	 1.8782806354	 2.9439714109	-0.9457303185	 0.137453
+H	 1.3358197557	-1.1369604712	 0.9255396213	 0.150294
+H	 0.1134642127	-2.0222680885	-0.0065395922	 0.121778
+H	 1.4135903754	-1.1656895478	-0.839033736	 0.123797
+H	-1.4574381644	 0.5303989242	 1.9133326256	 0.108598
+H	-1.9259442122	-1.6802759854	-0.0609435577	 0.103237
+H	-3.237627383	-0.4276831375	-0.1008944789	 0.115271
+H	-1.3787884951	 0.5103186206	-2.0288956503	 0.094661
+19
+0 1066	2.8561879	1.5090162	1.2316071	2.9931	75.64	-0.2396	-0.0166	0.223	1076.0252	0.155122	-422.526328	-422.517394	-422.51645	-422.560176	33.389
+C	 2.5816655083	-0.0133562776	 0.6680546423	-0.473366
+C	 1.2851685381	-0.0218079576	-0.1164128876	 0.333174
+O	 0.3858042326	-0.7914974008	 0.1324131429	-0.305014
+C	 1.1844351338	 0.9949999425	-1.2609496432	 0.380056
+O	 2.4021243833	 0.8560576039	-1.95648002	-0.50166
+C	-0.1656003229	 1.1228184001	-2.0395136078	-0.091225
+C	-0.76151398	 1.8027690431	-0.7692255224	-0.226324
+C	 0.6456366687	 2.4430021755	-0.9433775049	-0.121542
+C	 0.293716594	 2.5546477699	-2.4598315762	-0.266987
+H	 2.4816904264	-0.6595594687	 1.5408850268	 0.133375
+H	 3.3953665821	-0.3684784537	 0.0293276703	 0.161381
+H	 2.846367745	 1.0041453183	 0.97430495	 0.131515
+H	 2.4732644161	 1.5472915893	-2.621099675	 0.285345
+H	-0.6329308789	 0.3630008097	-2.664732202	 0.084849
+H	-1.5968333918	 2.480160826	-0.9575312453	 0.093892
+H	-0.9402531736	 1.174342343	 0.0993698682	 0.126034
+H	 1.1205966831	 3.1984830428	-0.3148948188	 0.076209
+H	-0.5056967377	 3.2575660167	-2.7054349413	 0.103627
+H	 1.1028384534	 2.6563206776	-3.1895785563	 0.076661
+19
+0 1067	3.2996444	1.2771281	1.0713071	2.1296	76.63	-0.23717	-0.0139	0.22327	1168.8605	0.154936	-422.532303	-422.523308	-422.522363	-422.566054	33.412
+C	 3.742727435	 0.4506518107	 1.5026318412	-0.494876
+C	 2.9386581588	-0.8360599784	 1.5333017877	 0.329278
+O	 3.3260132169	-1.7984978482	 2.1693652465	-0.324409
+C	 1.6388673181	-0.8812199536	 0.7806271178	 0.16071
+C	 1.2315364926	 0.2898503024	-0.0877232559	-0.500099
+C	 1.2572092252	-2.3317758863	 0.4406023742	-0.146344
+C	-0.13858634	-2.3774412104	-0.1659038813	-0.126421
+O	-0.6837880292	-1.624280934	 0.9581747893	-0.288532
+C	 0.5877945517	-1.657622403	 1.5904603006	 0.098335
+H	 4.6645470901	 0.3032131125	 2.0659112607	 0.141838
+H	 3.9774063448	 0.7455184626	 0.474470075	 0.139213
+H	 3.1725855138	 1.2744529225	 1.9464885127	 0.143311
+H	 1.8091380003	 0.3304597065	-1.0176075606	 0.119288
+H	 0.1721679764	 0.2220612677	-0.3428025234	 0.144312
+H	 1.370499746	 1.2402052928	 0.435456431	 0.12068
+H	 2.0021066178	-3.1139225703	 0.4404833323	 0.122297
+H	-0.314680894	-1.8831929051	-1.1271520949	 0.112215
+H	-0.5625206361	-3.3866438818	-0.1813714837	 0.123121
+H	 0.6442665519	-1.7906905964	 2.6634697208	 0.126083
+19
+0 1068	2.6571427	1.5488926	1.1669094	2.1927	76.44	-0.22847	-0.01343	0.21504	1106.0271	0.155085	-422.540674	-422.531706	-422.530761	-422.574348	33.961
+C	 2.818207601	-0.9440421258	-0.8380976339	-0.472649
+C	 1.6006555119	-0.5846247027	-0.0042907665	 0.314736
+O	 1.7047467996	-0.2778910872	 1.1659746559	-0.317667
+C	 0.2697936524	-0.6481477485	-0.7048920737	 0.274559
+O	 0.3457273799	-0.9607244024	-2.0772199883	-0.467668
+C	-0.9518272111	 0.194080129	-0.3664245012	-0.118705
+C	-1.1183351386	 0.4778571134	 1.131479895	-0.232828
+C	-1.1173028661	-1.0640694375	 1.3990398697	-0.236649
+C	-0.9652855764	-1.3058444889	-0.1061004271	-0.076956
+H	 2.685811247	-1.9167359147	-1.3200130821	 0.150383
+H	 2.959697016	-0.2169648599	-1.6459283953	 0.126449
+H	 3.6982147383	-0.9467459621	-0.1940695007	 0.13505
+H	 0.5090478338	-0.1465015344	-2.5651618665	 0.28645
+H	-1.4127211123	 0.7447447773	-1.1798440242	 0.084257
+H	-0.3333092903	 1.0592332159	 1.6131186583	 0.124898
+H	-2.0909532963	 0.929286933	 1.342117996	 0.099932
+H	-0.3226756157	-1.4461065823	 2.0404669596	 0.122948
+H	-2.0822079437	-1.4216881691	 1.7655790325	 0.102608
+H	-1.4195052893	-2.0968341132	-0.6905890576	 0.100851
+19
+0 1069	3.0055326	1.1232016	1.0141575	3.7824	76.45	-0.24478	-0.02239	0.22239	1245.4094	0.153357	-422.588497	-422.578832	-422.577887	-422.623565	35.175
+C	-3.856806165	 1.0474540767	-1.6184579244	-0.487759
+C	-2.803446871	-0.0157316248	-1.3577046626	 0.335107
+O	-2.5282606143	-0.8420434849	-2.1984028568	-0.301642
+C	-2.0729487052	 0.0294087885	-0.0151852592	 0.208875
+C	-2.9955505967	 0.2794328971	 1.1802759937	-0.472195
+C	-1.0786945019	-1.1538275561	 0.2025212102	-0.385118
+C	 0.0252341131	-0.1273507919	 0.4507344595	 0.407792
+O	 1.1178567009	-0.1738425977	 0.9345157041	-0.288679
+C	-0.8510183625	 1.032444281	-0.0553559365	-0.38917
+H	-3.5061463187	 2.041127549	-1.3215572059	 0.139229
+H	-4.1196820531	 1.0419565193	-2.6766627361	 0.146593
+H	-4.755072513	 0.8355314378	-1.0279381089	 0.149636
+H	-3.7403670535	-0.5174576646	 1.2794161438	 0.12925
+H	-2.4141606674	 0.3043856029	 2.1078948485	 0.129945
+H	-3.5245177663	 1.2332808223	 1.0989277544	 0.124865
+H	-1.2889758914	-1.8572342061	 1.0118988905	 0.125159
+H	-0.9214019119	-1.7077507357	-0.7286107958	 0.158981
+H	-0.9063387726	 1.9175736565	 0.5839494445	 0.129772
+H	-0.5676610495	 1.3399387006	-1.0676371429	 0.139358
+19
+0 1070	2.729773	1.0421485	0.9531926	4.0875	78.69	-0.25249	-0.04271	0.20978	1326.4872	0.153597	-422.578436	-422.568505	-422.567561	-422.61384	35.434
+C	 5.6576761714	 2.0549094118	-0.5665532667	-0.492871
+C	 4.2474141617	 2.6070260596	-0.6264039528	 0.340707
+O	 4.01316618	 3.7634656173	-0.3476342228	-0.309177
+C	 3.1299620747	 1.6697619975	-1.0412117366	 0.191596
+C	 3.4899020588	 0.2595638388	-1.4749125409	-0.490841
+C	 1.9474891675	 2.3603044273	-1.6679783248	-0.31943
+C	 1.8366005438	 1.9369041016	-0.226827868	-0.110415
+C	 0.9326613258	 0.8262191857	 0.1536868269	 0.15472
+O	 0.4018551601	 0.7317857938	 1.2327705662	-0.26198
+H	 5.7104575043	 1.1906882857	 0.1041785267	 0.144693
+H	 5.9836093507	 1.7099476244	-1.5539078115	 0.143703
+H	 6.3301435711	 2.8371781113	-0.2144972378	 0.14755
+H	 3.9265855633	-0.3252654504	-0.6592540682	 0.132754
+H	 2.613458649	-0.2833997314	-1.8346125845	 0.127266
+H	 4.2116364187	 0.2795640636	-2.2977310053	 0.128502
+H	 2.0342435823	 3.4246919023	-1.8487463331	 0.150069
+H	 1.3824783836	 1.7955360012	-2.4029956233	 0.12265
+H	 1.9317214418	 2.7167269146	 0.5197876788	 0.131805
+H	 0.7441290913	 0.0699120854	-0.6420216925	 0.068699
+19
+0 1071	2.7973994	1.3074575	1.2339074	1.5818	74.75	-0.24633	-0.02033	0.22599999999999998	1117.1482	0.15407	-422.537867	-422.528554	-422.52761	-422.57266	33.897
+C	 1.729976846	-0.8921575493	-2.2038755175	-0.483412
+C	 0.7252418306	-0.9975013187	-1.0674040072	 0.324636
+O	 0.2927557472	-2.0707611619	-0.7150768212	-0.299236
+C	 0.2836534352	 0.3122375676	-0.4063569624	 0.194346
+C	 1.4086535662	 0.8867571803	 0.4619059532	-0.468312
+C	-1.1280215976	 0.1935069139	 0.2759760835	-0.313639
+C	-1.6694869184	 1.1855287427	-0.7579767098	 0.041834
+O	-0.8970224644	 2.3925287891	-0.6455741947	-0.24705
+C	-0.3595504972	 1.3137126203	-1.4105490431	-0.026464
+H	 2.1868882653	-1.8671282469	-2.3778880714	 0.146418
+H	 1.1994827602	-0.5923526677	-3.1163701618	 0.147098
+H	 2.500240367	-0.1393898738	-2.0190391438	 0.13708
+H	 1.6361232631	 0.2125133477	 1.2937730551	 0.130543
+H	 2.3309291119	 1.049987687	-0.1043912235	 0.117189
+H	 1.0854629375	 1.8471644404	 0.8702675369	 0.145454
+H	-1.5267507392	-0.8169930597	 0.1798967832	 0.136336
+H	-1.1940108761	 0.5262823993	 1.3142769893	 0.107617
+H	-2.6696617821	 1.2799686941	-1.1638719688	 0.107848
+H	-0.0840059552	 1.5238925956	-2.4382843361	 0.101712
+19
+0 1072	2.7864925	1.4013819	1.262274	1.7979	74.86	-0.23206	-0.01701	0.21505	1095.5522	0.153955	-422.536604	-422.527397	-422.526452	-422.571011	34.048
+C	 2.5436031808	-3.5905484777	-2.3033589393	-0.475379
+C	 2.3553276622	-2.0925724052	-2.3582812046	 0.339569
+O	 1.4508147262	-1.559963887	-2.9600212402	-0.316887
+C	 3.3687488536	-1.210009373	-1.6074412796	 0.303111
+C	 2.6667670518	-0.43167881	-0.5064110834	-0.444325
+O	 4.5058746113	-1.9953076705	-1.1269811388	-0.330618
+C	 5.3506235469	-1.4207558545	-2.1307579912	 0.097365
+C	 5.509737177	 0.0474117799	-1.9133750169	-0.317687
+C	 4.2726454728	-0.4795287159	-2.6134354419	-0.145309
+H	 2.6404971095	-3.9280102131	-1.2668156007	 0.149233
+H	 1.7014321141	-4.0802248176	-2.7936170334	 0.135198
+H	 3.4793778977	-3.868740267	-2.7989210156	 0.148252
+H	 2.3041018627	-1.1129784385	 0.2706459339	 0.126965
+H	 3.3452955051	 0.2857671706	-0.0402004824	 0.12202
+H	 1.8112192245	 0.1001914538	-0.929446886	 0.147435
+H	 6.0484218758	-2.0734171575	-2.6417667076	 0.105704
+H	 5.4649911155	 0.4508937632	-0.9064125758	 0.120475
+H	 6.210658451	 0.5447162294	-2.5771127148	 0.119996
+H	 3.9695896617	-0.1805370992	-3.6067813014	 0.114884
+19
+0 1073	2.9082332	1.3883784	1.1857996	2.7943	75.45	-0.24113	-0.01264	0.22849	1114.8099	0.154865	-422.550137	-422.541045	-422.540101	-422.584	34.096
+C	 1.248544659	-0.5370668326	 1.1643973079	-0.474515
+C	 1.9551875302	-0.2552157329	-0.1442764376	 0.361016
+O	 2.8580918402	 0.5440954363	-0.2349460216	-0.307444
+C	 1.4976871056	-1.0748682953	-1.3612283814	 0.2839
+O	 0.1428950615	-1.4142911637	-1.1622430779	-0.484105
+C	 1.9366978325	-0.4246290639	-2.7212067294	-0.300672
+C	 2.9535993551	-1.5530734016	-2.9114771179	-0.010437
+C	 2.241339178	-2.870070368	-2.9549411376	-0.315099
+C	 2.4957258161	-2.2216439733	-1.6153655089	-0.095253
+H	 1.2145085593	-1.6122826318	 1.3660587425	 0.136702
+H	 1.7586956491	-0.010224414	 1.9713728768	 0.132162
+H	 0.2072681305	-0.2080081125	 1.0958990294	 0.158102
+H	-0.0655386306	-2.1568310682	-1.7381978233	 0.282113
+H	 1.1462784687	-0.3584592564	-3.4750078573	 0.091782
+H	 2.3884832969	 0.5534009273	-2.5565677537	 0.135196
+H	 3.9672027388	-1.428931802	-3.2685772562	 0.095627
+H	 1.2406136284	-2.9396026198	-3.3800736611	 0.097476
+H	 2.8538306499	-3.7447531462	-3.1490250413	 0.12096
+H	 3.0813669008	-2.7184252512	-0.8504845811	 0.09249
+19
+0 1074	2.9834599	1.2890835	1.1723663	2.4877	76.38	-0.24006	-0.01429	0.22577	1139.0473	0.155128	-422.594139	-422.584935	-422.583991	-422.628928	34.212
+C	-0.0758487677	 0.2573739521	 0.297569981	-0.473261
+C	 1.3771306432	-0.0944187335	 0.0766254507	 0.353223
+O	 1.9643263559	-0.9029100478	 0.760446572	-0.32055
+C	 2.123809372	 0.6103747221	-1.0641908082	 0.271086
+O	 1.2137727826	 1.4995591566	-1.703129651	-0.483091
+C	 3.3754129234	 1.3842267304	-0.5513422112	-0.292008
+C	 4.3617977503	 1.2258446129	-1.6846644548	-0.079199
+C	 4.0000731046	 0.253936369	-2.5219182217	-0.079192
+C	 2.7098432711	-0.403943993	-2.0917918879	-0.29198
+H	-0.4649610042	-0.3205175229	 1.1362374228	 0.131464
+H	-0.1788066446	 1.3303838216	 0.4873382113	 0.148952
+H	-0.6539033692	 0.0577056445	-0.610130722	 0.148983
+H	 1.6942225658	 1.9351413571	-2.4159248064	 0.283712
+H	 3.1087558677	 2.4223079574	-0.3256316901	 0.108816
+H	 3.7617221653	 0.9310398138	 0.3693581497	 0.134717
+H	 5.2696515542	 1.8141729301	-1.756596113	 0.097387
+H	 4.5658198464	-0.0767976	-3.3856580667	 0.097391
+H	 1.9946392071	-0.5711739798	-2.9042937052	 0.108815
+H	 2.9047598262	-1.3714909208	-1.6141279393	 0.134735
+19
+0 1075	2.1123581	1.5011028	1.3217778	1.9201	76.71	-0.24108	-0.04329	0.19779	1106.8233	0.153712	-422.589947	-422.580086	-422.579142	-422.625452	35.096
+C	-0.6278611083	-1.4174549854	-2.3775669008	-0.490576
+C	-1.4310250633	-1.3877291283	-1.0918505584	 0.346007
+O	-2.6381361009	-1.3138215092	-1.0891129411	-0.300239
+C	-0.6240807377	-1.3996660338	 0.2156262603	 0.089118
+C	 0.4273056293	-2.514965995	 0.253511767	-0.4639
+C	-1.4995316206	-1.182106676	 1.4855805996	-0.283798
+C	-1.0095899006	 0.2932927572	 1.6094391784	-0.334712
+C	-0.0345742376	 0.0227305703	 0.4628705423	 0.366109
+O	 0.8756569074	 0.6155432552	-0.0390889605	-0.298864
+H	-0.2354557172	-2.4252343239	-2.5526127015	 0.145916
+H	-1.273035626	-1.1413464321	-3.2123578063	 0.143003
+H	 0.2300480352	-0.7406140509	-2.3113786119	 0.161743
+H	 0.9647850102	-2.4966742324	 1.2062596485	 0.127013
+H	-0.0395169762	-3.4999556357	 0.1495473614	 0.130219
+H	 1.1642033842	-2.3927280093	-0.543858618	 0.140525
+H	-2.5656692927	-1.2998545869	 1.2983319302	 0.13654
+H	-1.1957162023	-1.8123015939	 2.323149708	 0.105985
+H	-1.7628652259	 1.0405145214	 1.3389412838	 0.146117
+H	-0.5419265371	 0.6011042687	 2.5482804389	 0.133794
+19
+0 1076	2.5223618	1.454782	1.2755885	2.646	77.1	-0.2241	-0.02054	0.20356	1096.3923	0.154458	-422.583913	-422.574511	-422.573567	-422.618399	34.18
+C	 3.1014571983	-4.3099498926	 1.9253669755	-0.47716
+C	 2.5676113557	-3.3565890994	 0.8796415509	 0.35559
+O	 1.4336120957	-3.4054184929	 0.4621397084	-0.316905
+C	 3.5513793038	-2.3020470253	 0.3087491525	 0.233523
+C	 2.8703350807	-0.9287647739	 0.267842743	-0.413342
+O	 4.74219009	-2.2362221997	 1.1044909792	-0.302358
+C	 5.8883204783	-2.6125727403	 0.3427081942	-0.135699
+C	 5.3536795835	-2.9525346978	-1.0193108613	-0.100987
+C	 4.0381351163	-2.7784270165	-1.0424411718	-0.106264
+H	 2.3152114564	-5.0084763793	 2.2139143408	 0.133941
+H	 3.9642042142	-4.8580432717	 1.5318997484	 0.14035
+H	 3.461525269	-3.7526215119	 2.7947464378	 0.153122
+H	 2.6777200161	-0.5775606962	 1.2858534144	 0.125017
+H	 3.5169187203	-0.2050637241	-0.2347513254	 0.115675
+H	 1.918034761	-1.0009015854	-0.2609233795	 0.140861
+H	 6.611123881	-1.782469043	 0.317947512	 0.111584
+H	 6.3933940929	-3.4650089763	 0.8232551857	 0.107503
+H	 5.9814770658	-3.2779069831	-1.8391040333	 0.112981
+H	 3.3595212811	-2.9417955004	-1.8686920914	 0.122567
+19
+0 1077	2.8125387	1.306644	1.1823168	2.914	77.53	-0.23854	-0.0208	0.21774	1146.3841	0.155251	-422.592523	-422.583173	-422.582229	-422.627113	34.328
+C	 1.9376865303	 1.365284015	-0.1211451983	-0.471901
+C	 1.4765075107	-0.0243264399	 0.2634014909	 0.364642
+O	 1.5615389867	-0.443636807	 1.3938296089	-0.307606
+C	 0.8471649285	-0.886133414	-0.8547496685	 0.258614
+O	 1.4518041089	-0.4537037111	-2.0788147711	-0.47523
+C	 0.9877668366	-2.4092574573	-0.5854385138	-0.27531
+C	-0.4173766218	-3.031246407	-0.7848294908	-0.268485
+C	-1.324164847	-1.8323510635	-0.8805410715	-0.059913
+C	-0.6568218229	-0.6794130128	-0.8905560314	-0.140917
+H	 2.2090982237	 1.9183580619	 0.7786523763	 0.131579
+H	 2.7984329201	 1.2895382646	-0.7923646898	 0.158493
+H	 1.1624742641	 1.8966962954	-0.6815926212	 0.135646
+H	 0.9009260461	-0.7782749324	-2.7989841057	 0.276468
+H	 1.7441215054	-2.8299855225	-1.2515386796	 0.105786
+H	 1.3223322816	-2.5471631761	 0.4440385903	 0.137942
+H	-0.4901235016	-3.6503678745	-1.6889253319	 0.10779
+H	-0.6965305883	-3.6854002859	 0.0490993865	 0.118801
+H	-2.403882136	-1.9212873716	-0.9455288141	 0.102964
+H	-1.093359985	 0.3101488387	-0.9683178952	 0.100635
+19
+0 1078	2.1545415	1.4770596	1.1451312	1.047	76.62	-0.24686	-0.02575	0.22111	1160.9701	0.15323	-422.583916	-422.573677	-422.572733	-422.620164	35.732
+C	-0.8444851325	 0.1268475373	-1.0246114486	-0.483851
+C	 0.3121476917	-0.691428497	-0.4754251242	 0.284204
+O	 1.2810313587	-0.9463202165	-1.1554191545	-0.303605
+C	 0.1258733675	-1.2874637402	 0.9008954516	 0.165823
+C	-0.2291679659	-2.7692375668	 0.8995302208	-0.295531
+C	 1.1349929248	-2.3450642734	 1.3309655175	-0.295534
+C	-0.4275424813	-0.4577462898	 2.0364214086	 0.284172
+C	 0.1602423662	 0.9323872719	 2.212787395	-0.483867
+O	-1.2132131249	-0.914526976	 2.8365380249	-0.303606
+H	-1.2476301703	 0.8367424441	-0.298052867	 0.136869
+H	-0.5315397716	 0.6477887852	-1.9302286854	 0.146309
+H	-1.6610759694	-0.5612075208	-1.2755251967	 0.154904
+H	-0.9442266088	-3.0676934163	 1.6571045509	 0.147781
+H	-0.3314911705	-3.247237296	-0.0681817611	 0.130034
+H	 1.3726859317	-2.3937398347	 2.3876378507	 0.130029
+H	 1.964149246	-2.4889454662	 0.6482661232	 0.147786
+H	-0.4319881557	 1.4951375529	 2.9353193423	 0.146319
+H	 1.1815299516	 0.8252542059	 2.5983853174	 0.1549
+H	 0.2382726129	 1.4849944063	 1.2731478646	 0.136863
+19
+0 1079	2.6931452	1.3562075	1.0442859	2.3146	75.52	-0.24444	-0.01439	0.23004999999999998	1187.463	0.15486	-422.539935	-422.530639	-422.529695	-422.57443	33.77
+C	 1.0996280263	-1.4056514779	 0.9689036344	-0.49611
+C	 0.6783827305	-2.8164670311	 0.5880252803	 0.333032
+O	-0.2716676883	-3.3442488817	 1.130016667	-0.313234
+C	 1.4637608492	-3.5705454293	-0.4414898226	 0.193965
+C	 1.8699825542	-2.8558073764	-1.7322752333	-0.299385
+C	 2.9133314388	-3.2170194951	-0.7287152486	-0.313479
+C	 1.0396038802	-5.0086330347	-0.5750635709	 0.017929
+C	 1.7770420706	-6.1089153366	 0.0528719992	-0.174348
+O	 1.8920898112	-5.8509585617	-1.3530657583	-0.250367
+H	 1.9521371808	-1.4579667586	 1.6562381432	 0.148109
+H	 1.4085849088	-0.7988700859	 0.1141075277	 0.133668
+H	 0.2701907093	-0.9228431579	 1.4868230212	 0.147269
+H	 1.810710054	-3.4567316523	-2.6325595896	 0.143852
+H	 1.5878229727	-1.8172729812	-1.857767815	 0.122829
+H	 3.5574046216	-4.054977001	-0.9677609517	 0.14319
+H	 3.3731794013	-2.4301783742	-0.1429898534	 0.117828
+H	-0.0237664183	-5.15042537	-0.7566853868	 0.11051
+H	 2.6692485895	-5.8905372648	 0.6373978456	 0.112081
+H	 1.2574551375	-7.0282047199	 0.3156793315	 0.122661
+19
+0 1080	2.6476668	1.3510356	1.0878282	1.6594	75.43	-0.24484	-0.02193	0.22291	1183.0004	0.154501	-422.539405	-422.530028	-422.529084	-422.574106	33.938
+C	 0.9885335444	-0.6461997748	 4.2136551515	-0.479895
+C	 0.3306287846	 0.3596581957	 3.2925725182	 0.33076
+O	 0.2799424301	 1.5425053684	 3.5427337769	-0.304379
+C	-0.2668411926	-0.1616937709	 1.9978590043	 0.268273
+C	-1.3108526154	-1.2065097311	 2.1047058331	-0.217342
+O	 0.0129620909	-1.5348927253	 1.6944397218	-0.263101
+C	-0.2506682954	 0.8003771211	 0.8484530272	-0.060675
+C	 0.8948183227	 0.7658174523	-0.1344787104	-0.262427
+C	-0.4827256013	 0.3210481362	-0.5580414588	-0.284484
+H	 1.2615903223	-0.1525507089	 5.1467454139	 0.139882
+H	 0.3401307535	-1.5038809283	 4.4135913387	 0.141244
+H	 1.8851815868	-1.0475315743	 3.7287637609	 0.155339
+H	-1.6104790105	-1.5946995844	 3.0767547289	 0.120421
+H	-2.0690912774	-1.2491406478	 1.3254380336	 0.128921
+H	-0.6253329659	 1.7801698466	 1.1204022551	 0.111123
+H	 1.2785278644	 1.7104682089	-0.5018997493	 0.117237
+H	 1.6419815805	-0.0096480364	-0.0065933458	 0.122298
+H	-1.0561422007	 0.9564853841	-1.2233826742	 0.112975
+H	-0.6252838209	-0.7434470712	-0.7081840756	 0.123831
+19
+0 1081	2.3604452	1.197152	0.9286675	1.9567	76.64	-0.25261	-0.03136	0.22125	1296.9504	0.153421	-422.573081	-422.563149	-422.562205	-422.60943	34.962
+C	-3.3857144593	 1.0141042943	 0.0325626367	-0.503534
+C	-2.4145473427	 2.1622538081	-0.1845172709	 0.329325
+O	-2.6825345271	 3.0636350225	-0.9514476203	-0.314863
+C	-1.1339932906	 2.1866203687	 0.6121434208	 0.218205
+C	-0.6807192951	 0.9505813511	 1.3765832305	-0.394391
+C	-0.039781527	-0.0986155223	 0.4829767804	 0.172075
+O	 0.9291584921	-0.7443291588	 0.784615192	-0.236853
+C	-0.0517591394	 3.1080004335	 0.0625184296	-0.281837
+C	-0.847119262	 3.5561413668	 1.2386421304	-0.287703
+H	-2.9326201485	 0.0502864818	-0.2223544151	 0.140108
+H	-3.6878703244	 0.9568152967	 1.0846745794	 0.143977
+H	-4.2658809121	 1.1759055556	-0.5899105448	 0.148123
+H	 0.0494085187	 1.2087817295	 2.1488907833	 0.127368
+H	-1.5257326594	 0.4762149715	 1.8936196377	 0.128349
+H	-0.5338534478	-0.2406805764	-0.5067276666	 0.077674
+H	 0.975655059	 2.7973656876	 0.2188401121	 0.125248
+H	-0.2686679847	 3.5704888225	-0.8924099978	 0.145505
+H	-0.3862247964	 3.5571341849	 2.2201615649	 0.121997
+H	-1.5975827034	 4.3200514926	 1.0733429478	 0.141227
+19
+0 1082	1.9944491	1.5514379	1.1934455	1.3596	76.71	-0.25106	-0.05247	0.19859	1143.7797	0.153929	-422.574897	-422.564985	-422.564041	-422.611419	34.161
+C	 1.8001074027	 0.4117520114	 1.3957634229	-0.4842
+C	 1.5777835505	 0.0967722432	-0.0706564159	 0.296726
+O	 2.1045245473	-0.8378585474	-0.6257630674	-0.291125
+C	 0.6332633883	 1.0398955543	-0.8286477495	 0.164553
+C	 0.0150888534	 0.473555568	-2.1387610826	-0.282143
+C	-1.3824030073	 0.9444421217	-1.6463328906	-0.20637
+C	-0.793790243	 1.2501108801	-0.23970977	-0.284553
+C	 1.3878366853	 2.3343924193	-1.0781454864	 0.089106
+O	 1.182410718	 3.37691655	-0.5118390818	-0.246523
+H	 2.6618555932	-0.1454143366	 1.7649777647	 0.146357
+H	 1.9379771051	 1.4859764036	 1.5525776752	 0.154254
+H	 0.9162325666	 0.1185127276	 1.973380698	 0.151551
+H	 0.3801029913	 0.9118709677	-3.0720689391	 0.105891
+H	 0.1388927488	-0.6092469795	-2.1984037475	 0.128708
+H	-1.7324036196	 1.8437688773	-2.1583724777	 0.114773
+H	-2.1770523125	 0.1968725713	-1.6802358188	 0.10922
+H	-0.9706059708	 2.2457773216	 0.170320054	 0.129715
+H	-1.0621662607	 0.501745087	 0.5094932504	 0.104719
+H	 2.1781210036	 2.2430414095	-1.8566674778	 0.099342
+19
+0 1083	3.7834009	1.1276953	1.0194622	2.2566	77.3	-0.24397	-0.0218	0.22216999999999998	1236.5139	0.153659	-422.521749	-422.512379	-422.511435	-422.556719	34.151
+C	 5.4947327239	 1.5658066567	 0.8986747492	-0.485634
+C	 4.6931152928	 0.6890163881	-0.0339535352	 0.245382
+O	 5.1562026303	-0.2351848243	-0.6629020313	-0.306987
+C	 3.2309989383	 1.0183736694	-0.1613067621	 0.334471
+C	 2.0040346785	 0.1583712867	 0.2421015586	-0.282603
+C	 1.5198717938	 1.5746244028	-0.1708495776	 0.388045
+C	 0.177072536	 2.213673076	-0.0126524419	-0.509651
+C	 2.4527594172	 1.5105261587	-1.4103361768	-0.282592
+O	 2.661135085	 2.1476044772	 0.6079330704	-0.377015
+H	 5.0644392795	 1.5271010294	 1.90534994	 0.152441
+H	 6.535591821	 1.2413350856	 0.9141066022	 0.137834
+H	 5.4218259303	 2.6111562398	 0.5794145867	 0.152399
+H	 1.7451104034	-0.6874200872	-0.3978792411	 0.108634
+H	 1.9312509767	-0.0653349541	 1.3073433751	 0.10754
+H	-0.1515657885	 2.1625205592	 1.0296575512	 0.135748
+H	 0.2146418655	 3.2645465597	-0.3147895296	 0.135765
+H	-0.5615483328	 1.6994362663	-0.6353580201	 0.130044
+H	 2.2319891172	 0.7796477821	-2.1907642091	 0.108638
+H	 2.7750490619	 2.4772152778	-1.7998531085	 0.10754
+19
+0 1084	3.825868	1.0774408	0.9802224	1.9948	76.87	-0.24194	-0.01677	0.22516999999999998	1245.8321	0.155136	-422.537948	-422.528813	-422.527869	-422.572587	33.728
+C	 2.8986783087	 0.6954001438	-0.6808166091	-0.492723
+C	 1.4170122292	 0.8118715353	-0.3714565104	 0.249574
+O	 1.0052147258	 1.0214806857	 0.7479105199	-0.295959
+C	 0.4750127364	 0.6497397881	-1.5262296679	 0.266124
+C	 0.4984309724	 1.3912111394	-2.9073113861	-0.303164
+C	-0.7072875422	 0.4265000363	-2.951416903	 0.391192
+O	-1.5395543851	 0.3246683787	-4.0468859855	-0.466799
+C	-1.059876488	 0.8699643283	-1.4972269557	-0.327521
+C	 0.2190783494	-0.670127779	-2.3342898972	-0.32863
+H	 3.4731754744	 0.7509419456	 0.2445004984	 0.141932
+H	 3.1145444665	-0.2450219543	-1.19906171	 0.138624
+H	 3.2064292455	 1.5052804304	-1.3519725662	 0.144082
+H	 0.2711293649	 2.4598207525	-2.8827310548	 0.10393
+H	 1.331933197	 1.1633321459	-3.5763204571	 0.098417
+H	-2.2792544033	-0.2488436106	-3.8188960302	 0.284502
+H	-1.398775225	 1.8997465382	-1.3643994461	 0.102592
+H	-1.6349711291	 0.169314103	-0.8867898624	 0.096932
+H	-0.2630046181	-1.4807710577	-1.7809893583	 0.098417
+H	 1.0379050207	-1.0303025298	-2.9620882782	 0.098478
+19
+0 1085	3.1951804	1.4229081	1.1747846	2.4134	75.66	-0.2443	-0.01827	0.22602999999999998	1095.0231	0.156665	-422.558839	-422.550545	-422.549601	-422.592576	31.34
+C	-0.7203982432	-3.361418262	-4.8609189105	-0.479948
+C	-0.4796708717	-2.1439034871	-4.0002230495	 0.269617
+O	-1.3656190981	-1.4072510048	-3.6261171218	-0.311244
+C	 0.9436948649	-1.8435073548	-3.596332399	 0.36876
+C	 1.3750289058	-1.6578050132	-2.112869129	-0.257791
+C	 2.6225631929	-1.0364292731	-2.8131987544	-0.093716
+C	 1.6218938274	-0.469398375	-3.8667808893	-0.257762
+C	 3.1439404396	-2.2644421895	-3.5718970016	-0.08023
+O	 1.9016199777	-2.7891266195	-4.1022673186	-0.330508
+H	-0.3474503513	-4.2570121511	-4.3528726837	 0.149674
+H	-1.7851272662	-3.4570374724	-5.0760450421	 0.133876
+H	-0.1448951865	-3.2817469253	-5.7892329564	 0.149707
+H	 0.7602856368	-0.9266788373	-1.5891347907	 0.12452
+H	 1.5060510486	-2.5685188509	-1.5233435364	 0.101519
+H	 3.3500712327	-0.416754719	-2.2909283269	 0.079558
+H	 1.0290327839	 0.3669921962	-3.4983725395	 0.124524
+H	 1.9790670631	-0.291389953	-4.8840553742	 0.101521
+H	 3.8253151109	-2.0164070561	-4.3937500179	 0.103961
+H	 3.6186353228	-3.0113590522	-2.9253565886	 0.103963
+19
+0 1086	3.2243839	1.3213114	1.1731366	1.7875	75.14	-0.24429	-0.02001	0.22428	1108.6437	0.156877	-422.55677	-422.548457	-422.547513	-422.590247	31.288
+C	 3.561419132	-0.0324071461	-6.3645093195	-0.492091
+C	 2.7176008618	-1.0569380794	-5.6257234729	 0.25647
+O	 3.1454009895	-2.1531346202	-5.3396746616	-0.29274
+C	 1.3223630833	-0.6413038881	-5.2445921451	 0.205608
+C	 1.0607510928	 0.3739782456	-4.06506367	-0.273744
+C	-0.3510797683	-0.2435147967	-4.1928581837	 0.094507
+C	 0.3368138823	-1.5932102649	-4.5022737012	-0.269054
+O	-0.7929718579	 0.2110496345	-5.4844949884	-0.276828
+C	 0.3721808817	-0.0357011518	-6.2986538692	-0.124304
+H	 3.5108781877	 0.947391548	-5.8780155071	 0.138203
+H	 4.5956703227	-0.3750042487	-6.4135710437	 0.144367
+H	 3.1795359845	 0.097455016	-7.3843281109	 0.145966
+H	 1.5865730857	 0.0890294604	-3.1527794344	 0.115896
+H	 1.161993945	 1.4424089884	-4.269382154	 0.104599
+H	-1.146319329	-0.1057982932	-3.4628905459	 0.086185
+H	 0.8010048083	-2.0697470579	-3.6391374189	 0.11784
+H	-0.2252558524	-2.3160435071	-5.0968762051	 0.10671
+H	 0.129147852	-0.7353503282	-7.1069055528	 0.11005
+H	 0.7358537583	 0.9028700094	-6.7330117055	 0.102359
+19
+0 1087	3.2162351	1.3457032	1.2174996	2.0937	75.02	-0.2431	-0.01833	0.22477000000000003	1099.3881	0.156598	-422.563636	-422.555213	-422.554269	-422.597542	31.54
+C	-0.3081225936	-0.0011560032	-5.7667072666	-0.480079
+C	 0.6764870688	-0.6905537936	-4.8513822734	 0.256654
+O	 1.1690870481	-1.7717594389	-5.0861381658	-0.313681
+C	 1.0437035098	 0.0304178469	-3.5790071518	 0.344945
+C	 0.5723099644	-0.4510254454	-2.1814165209	-0.257036
+C	 0.7896458287	 1.0565335535	-1.9371555694	 0.066848
+C	 2.320257838	 1.228729999	-2.033203421	-0.222958
+C	 2.5311679653	 0.4009506702	-3.3403245481	-0.250876
+O	 0.3673511803	 1.3032017968	-3.3179294877	-0.334014
+H	-0.4769943587	-0.6090158516	-6.6560626084	 0.136366
+H	-1.2495019717	 0.1744285986	-5.2356468919	 0.150953
+H	 0.0695552997	 0.9892030041	-6.0441856414	 0.150254
+H	-0.4835695214	-0.7230704064	-2.1787845382	 0.113586
+H	 1.1809790094	-1.1815934353	-1.6447849296	 0.107921
+H	 0.2329645114	 1.6291737802	-1.1959675357	 0.083029
+H	 2.5961028349	 2.2783029652	-2.1510901265	 0.111624
+H	 2.8490080081	 0.8218062815	-1.1674214586	 0.104171
+H	 2.9240863244	 1.0014991345	-4.1630924918	 0.110192
+H	 3.158783384	-0.4833337061	-3.2187224831	 0.1221
+19
+0 1088	2.4488397	1.519079	1.1914119	2.2234	77.49	-0.23757	-0.01978	0.21779	1121.7505	0.154257	-422.54021	-422.530827	-422.529883	-422.574496	34.099
+C	 2.1350204266	 0.4677692074	 3.7751893568	-0.480399
+C	 2.6894641406	 0.021835248	 2.4405558535	 0.294655
+O	 3.6526057803	-0.7116444832	 2.3269061155	-0.329898
+C	 2.0100016379	 0.5480276145	 1.2365025996	 0.315905
+C	 2.0227936995	-0.1157501558	-0.1174009475	-0.371279
+C	 2.6222511325	 1.2550205901	 0.0156765059	 0.21516
+C	 4.054130223	 1.5794104782	-0.2861229112	-0.494388
+C	 1.48917676	 2.2594890113	 0.2343710814	-0.13514
+O	 0.9297212165	 1.4805737164	 1.3278146688	-0.329302
+H	 2.721048215	 0.0260193596	 4.5815114712	 0.136723
+H	 2.1504039516	 1.5603393778	 3.8443461215	 0.145905
+H	 1.0838446717	 0.1715946066	 3.8633027663	 0.149856
+H	 2.7419172572	-0.922132238	-0.2108326806	 0.143895
+H	 1.0655460708	-0.2644871912	-0.6098233782	 0.118321
+H	 4.3734605259	 2.4919370584	 0.2284849417	 0.120844
+H	 4.7037051382	 0.7627344581	 0.0419717031	 0.152415
+H	 4.2099758593	 1.7258663211	-1.3613255716	 0.126104
+H	 1.8383066805	 3.2336643133	 0.596214163	 0.110753
+H	 0.771175143	 2.4019216771	-0.5816551394	 0.109869
+19
+0 1089	2.5465987	1.410643	1.150649	3.0569	77.5	-0.23674	-0.01768	0.21906	1144.1762	0.154406	-422.541743	-422.532426	-422.531482	-422.57581	34.131
+C	 2.4697117789	 0.0386041787	 2.8183787267	-0.503239
+C	 3.5938335051	 0.0503311224	 1.7959550617	 0.288142
+O	 4.7481040203	 0.2434347114	 2.1263003413	-0.319036
+C	 3.2582130906	-0.1824415745	 0.3771829212	 0.12421
+C	 1.9636302735	-0.7651723954	-0.1881426575	-0.395165
+C	 2.3568494367	 0.6000957939	-0.6210171661	 0.428965
+C	 1.5485381362	 1.8516899854	-0.5185345479	-0.485216
+O	 3.3464911436	 0.5447980897	-1.640597891	-0.315415
+C	 4.2822861117	-0.1247552075	-0.7462703007	-0.139934
+H	 2.0461246528	-0.9683613604	 2.9040486884	 0.144133
+H	 2.8682341527	 0.3443272982	 3.7862317099	 0.145069
+H	 1.6531400991	 0.7090855179	 2.5294673758	 0.132903
+H	 2.0265999689	-1.5953113636	-0.8872483357	 0.121486
+H	 1.1405978921	-0.8193194692	 0.5167477045	 0.121364
+H	 0.8688631312	 1.8131558384	 0.3367497407	 0.127591
+H	 2.1935584745	 2.7296986687	-0.4239973902	 0.139758
+H	 0.9420759432	 1.9713812597	-1.4238213074	 0.142354
+H	 4.6363639549	-1.0765085242	-1.1571199715	 0.108634
+H	 5.1275245738	 0.5251358403	-0.5083808521	 0.133396
+19
+0 1090	2.4827857	1.562007	1.2147103	2.7691	77.54	-0.22612	-0.01601	0.21011	1094.7461	0.155179	-422.554559	-422.545516	-422.544572	-422.588298	33.912
+C	-0.6305113151	-2.1006430758	 2.0222506312	-0.48768
+C	 0.1678988556	-2.2354962787	 0.7421437132	 0.299347
+O	 1.2763512534	-2.7631608319	 0.732366441	-0.368368
+C	-0.4395416441	-1.8001212604	-0.5151935962	 0.137317
+C	 0.4590235287	-1.4284378581	-1.7005926077	-0.379864
+C	-0.2441530887	-2.7220360801	-1.7831876992	 0.416536
+O	 0.3805413797	-3.9388876892	-1.8018837569	-0.458007
+C	-1.7225936713	-2.5675466306	-2.1250464524	-0.268825
+C	-1.9076936878	-1.5942525024	-0.9084437572	-0.30809
+H	-0.0171525657	-2.4085438393	 2.8697409071	 0.142848
+H	-0.9757664182	-1.070448665	 2.1604730205	 0.137379
+H	-1.5244646684	-2.7336854514	 1.9785894888	 0.142567
+H	 0.1580747544	-0.5751804349	-2.305326205	 0.112015
+H	 1.518453119	-1.4935024572	-1.4789773667	 0.137724
+H	 1.0852755685	-3.8991468629	-1.133357923	 0.304052
+H	-1.9445835494	-2.1746209939	-3.1219071746	 0.106308
+H	-2.2611228298	-3.5058048766	-1.9819177277	 0.121477
+H	-2.185568267	-0.564789721	-1.1573538676	 0.102785
+H	-2.6199093737	-1.9773733805	-0.1752208776	 0.11048
+19
+0 1091	2.5014513	1.4682666	1.1397106	2.5193	77.47	-0.24715	-0.02599	0.22116000000000002	1147.5241	0.15383	-422.549998	-422.540493	-422.539549	-422.584581	34.418
+C	 4.0316098083	-0.3638238769	-1.1846579396	-0.492088
+C	 3.3856560192	-0.4476825238	 0.1819252778	 0.276114
+O	 3.9688788747	-0.1549185967	 1.2050223841	-0.307696
+C	 1.9700725373	-0.8984300281	 0.2540081329	 0.263336
+C	 1.0265762556	-0.7937300239	 1.455891681	-0.291472
+C	 0.3048532088	-2.0903058933	 0.9586616018	-0.278518
+C	 1.2905412545	-2.1496308296	-0.2225402598	 0.328501
+C	 1.7611905412	-3.3640459584	-0.954839653	-0.499042
+O	 1.1578987788	-0.9227820195	-0.9355866762	-0.311904
+H	 5.0580933362	-0.0122223738	-1.0750905068	 0.138855
+H	 4.0269122071	-1.3410821257	-1.6786188678	 0.141527
+H	 3.4625827195	 0.312310983	-1.8299680772	 0.154636
+H	 1.5526325246	-0.9292832818	 2.4011659989	 0.132121
+H	 0.4311236754	 0.1208314255	 1.4902473552	 0.112672
+H	 0.4135666466	-2.927929367	 1.651399663	 0.111093
+H	-0.7430797475	-1.9922273491	 0.6655999799	 0.112722
+H	 2.1222461391	-4.1231912769	-0.2543837813	 0.133908
+H	 0.9330293433	-3.8008697016	-1.5252215348	 0.138139
+H	 2.5610799571	-3.1216160624	-1.6578833081	 0.137094
+19
+0 1092	3.0087176	1.4127559	1.128468	2.8796	76.17	-0.23626	-0.01141	0.22485	1127.7217	0.156414	-422.569263	-422.560638	-422.559694	-422.602741	32.171
+C	-3.4102185395	-1.3009213643	-3.9697284706	-0.477864
+C	-2.4798718503	-1.0095143278	-2.8134155335	 0.307999
+O	-2.5226420735	-1.615812985	-1.7626609163	-0.324329
+C	-1.4860256828	 0.0875303783	-3.0081800536	 0.335012
+C	-0.1999500014	 0.0903896072	-2.2041943621	-0.343117
+C	-1.2467108699	 1.1359007083	-1.9330693614	-0.091152
+C	-1.1603323524	 2.4521388887	-2.6867701043	-0.245299
+C	-0.9355898907	 2.0079110355	-4.1501719287	-0.102661
+O	-1.4837569411	 0.692591917	-4.2745585165	-0.308314
+H	-4.0967970893	-2.10067346	-3.6910204532	 0.133816
+H	-3.9637953562	-0.398002022	-4.2465167208	 0.143018
+H	-2.8316799139	-1.5856471866	-4.8547629695	 0.149598
+H	-0.1127705887	-0.7086835097	-1.4775543903	 0.143307
+H	 0.7154310109	 0.3641308776	-2.7177783289	 0.11856
+H	-1.8039367615	 1.0810254944	-1.0058884117	 0.113212
+H	-2.1044407524	 2.9956494806	-2.5797056564	 0.11421
+H	-0.3553825471	 3.1068067798	-2.3395367832	 0.112981
+H	-1.4316872502	 2.6495189936	-4.8832234629	 0.115345
+H	 0.1355971199	 1.9874876644	-4.3906560861	 0.105676
+19
+0 1093	3.1085916	1.3377848	1.087029	1.4527	75.95	-0.24598	-0.01664	0.22934000000000002	1146.709	0.156948	-422.570861	-422.562351	-422.561407	-422.604299	31.775
+C	-1.3955733536	 3.292341917	-1.7076378547	-0.494663
+C	-0.2225293561	 2.5682535573	-2.3428910279	 0.291996
+O	-0.0941477679	 2.5101695344	-3.5488735129	-0.318919
+C	 0.7714882502	 1.9248268008	-1.4318603742	 0.212444
+C	 2.1847287981	 1.7272709452	-1.9620986146	-0.314136
+C	 1.3123127593	 0.5342383162	-1.784152847	-0.077704
+C	 1.4188725168	-0.1908649087	-0.4563347476	-0.097995
+O	 1.4555042938	 0.8318146584	 0.5356766123	-0.254905
+C	 0.652964438	 1.9192456127	 0.0866772309	-0.170244
+H	-1.0484677964	 4.043293854	-0.9891150146	 0.139359
+H	-1.9897298514	 3.7703629924	-2.4869027874	 0.143253
+H	-2.0248276662	 2.5875227748	-1.1519568675	 0.143681
+H	 2.3426718571	 2.0740531077	-2.9759740575	 0.140336
+H	 2.9972858418	 1.8854464744	-1.2604571098	 0.126948
+H	 0.9201672556	 0.0235911868	-2.6551280861	 0.112864
+H	 0.5522079648	-0.8568353081	-0.3157489726	 0.095642
+H	 2.3323519525	-0.7833946977	-0.3417943296	 0.116157
+H	-0.3970508528	 1.786443221	 0.3923978003	 0.092492
+H	 1.0390216664	 2.8222853513	 0.5715793406	 0.113395
+19
+0 1094	3.0970165	1.3356734	1.091588	3.0041	75.95	-0.2379	-0.01093	0.22697	1147.7247	0.156837	-422.567099	-422.558602	-422.557658	-422.600418	31.958
+C	 0.0929351084	-3.0588739	 0.2987213724	-0.49438
+C	-0.1568743414	-1.9076268832	-0.6592383766	 0.294284
+O	-1.0213432194	-1.0823140784	-0.4371069903	-0.324728
+C	 0.707791309	-1.8008720405	-1.8696696907	 0.206432
+C	 0.2257517099	-0.8721790034	-2.986848381	-0.363892
+C	 1.3838258259	-0.4499705985	-2.1549412916	 0.108255
+O	 2.6866734282	-0.6563204747	-2.6046744312	-0.250142
+C	 2.7866611699	-2.0016470168	-3.0733333602	-0.094898
+C	 1.7597222445	-2.8289077766	-2.2625290925	-0.337592
+H	-0.0022811277	-4.0223372137	-0.2136503802	 0.137934
+H	 1.1104409803	-3.0115281378	 0.7033152211	 0.141647
+H	-0.6248262034	-3.0035173109	 1.1176037053	 0.142182
+H	 0.3840712002	-1.1817150717	-4.0138567904	 0.117666
+H	-0.71909096	-0.3841169594	-2.7779333136	 0.146332
+H	 1.3003722343	 0.3811812359	-1.4654635631	 0.123419
+H	 2.5616705535	-2.0473254245	-4.147263718	 0.106252
+H	 3.8200400973	-2.3272971559	-2.9315683381	 0.117473
+H	 1.3646998068	-3.6598653902	-2.8552414506	 0.111501
+H	 2.2274788636	-3.2498386799	-1.3677292008	 0.112255
+19
+0 1095	3.2242993	1.3162632	1.0836008	2.1411	75.62	-0.24487	-0.02201	0.22286	1162.3282	0.156394	-422.580218	-422.571547	-422.570603	-422.613779	32.162
+C	 4.9701647254	-1.5651841006	-1.3420340122	-0.483207
+C	 3.5939657054	-1.9053422237	-1.8741614576	 0.293521
+O	 2.9121443245	-2.7941826569	-1.411419468	-0.305583
+C	 3.0695003611	-1.0780623737	-3.0118540374	 0.314244
+C	 1.5838115168	-1.0312024431	-3.3173579169	-0.281557
+C	 1.5043990271	-0.3725410104	-4.7144580411	-0.225001
+C	 2.8327157619	-0.7387140967	-5.4188695618	-0.240793
+C	 3.8193721721	-0.8924290367	-4.2792231821	-0.00256
+O	 3.767525044	 0.149113022	-3.3069684651	-0.292027
+H	 5.2507591977	-2.2944971409	-0.5816075878	 0.138431
+H	 5.7162542706	-1.5496384161	-2.1425565324	 0.139635
+H	 4.9598732686	-0.5582860233	-0.9122026092	 0.155687
+H	 1.2089615399	-2.0592066629	-3.3192664552	 0.128473
+H	 1.0199038329	-0.4812774779	-2.5584660391	 0.113041
+H	 0.6284733878	-0.6972229743	-5.2803260852	 0.104287
+H	 1.4411629778	 0.712056497	-4.6036228313	 0.121144
+H	 2.7608219866	-1.6980816846	-5.945741059	 0.110963
+H	 3.149294838	 0.0132140791	-6.1483208567	 0.114262
+H	 4.8026358517	-1.3272476263	-4.445013692	 0.097041
+19
+0 1096	2.6459813	1.5671629	1.1822451	2.3604	75.39	-0.23471	-0.02318	0.21153	1095.9427	0.155627	-422.542305	-422.533484	-422.53254	-422.576511	32.197
+C	-3.6474000551	 0.5051606558	-0.6264235841	-0.479902
+C	-2.424798726	-0.362157861	-0.8288721917	 0.302818
+O	-2.2945081188	-1.1097051349	-1.7742370915	-0.31212
+C	-1.3460560327	-0.2935079857	 0.2290899228	 0.348106
+C	 0.1206901617	-0.5652911786	-0.1859402316	-0.271081
+C	 0.2703333268	-1.5815899118	 0.9874170474	-0.227925
+C	-1.2057536487	-1.341401577	 1.3941246208	-0.124714
+C	-1.4387948391	-0.1254588127	 2.304584864	-0.09096
+O	-1.4915091491	 0.7837022796	 1.1780873376	-0.332137
+H	-4.1282577935	 0.270944257	 0.3295738568	 0.138738
+H	-3.3536099663	 1.5579088701	-0.5663081572	 0.154545
+H	-4.3477092133	 0.3476426355	-1.4472854071	 0.135099
+H	 0.1810236996	-1.0258835078	-1.1730091827	 0.131811
+H	 0.7514985477	 0.324745971	-0.148230356	 0.110653
+H	 0.4665050164	-2.6018809235	 0.6524280174	 0.114099
+H	 1.0027381264	-1.3254245981	 1.757765614	 0.103322
+H	-1.8590430063	-2.2042850542	 1.5144467645	 0.089438
+H	-2.3897846727	-0.1314119938	 2.8519753693	 0.104858
+H	-0.6277277371	 0.1224420698	 3.0004675473	 0.10535
+19
+0 1097	2.6376656	1.5106953	1.1541871	3.3018	75.23	-0.24544	-0.02386	0.22158	1109.7377	0.155933	-422.538716	-422.529961	-422.529016	-422.572958	32.026
+C	 0.9798916855	-1.4924821231	-4.1848486675	-0.492556
+C	 1.4956702634	-1.6274492195	-2.7619174522	 0.292391
+O	 1.9243245654	-2.6840357361	-2.3497128404	-0.301656
+C	 1.4876191792	-0.3951170283	-1.8927974303	 0.189003
+C	 0.3989655985	 0.7106193623	-2.0519034714	-0.309199
+C	 1.4991371632	 1.8084436241	-2.1731071127	-0.228522
+C	 2.5912073215	 0.7308060056	-1.9964218274	 0.083899
+O	 2.9823021659	 0.528690595	-0.6357595069	-0.285502
+C	 2.0223750114	-0.5450546809	-0.4584731919	-0.130606
+H	 1.2883489425	-2.3648305903	-4.7619722075	 0.145766
+H	-0.115149779	-1.4422190498	-4.1817488075	 0.147803
+H	 1.3419943649	-0.5769110797	-4.6639252251	 0.132281
+H	-0.2082208216	 0.6071771295	-2.9526915433	 0.109227
+H	-0.2756086825	 0.7936149974	-1.1961175038	 0.110227
+H	 1.5188029904	 2.2990088976	-3.1500621752	 0.104836
+H	 1.516949461	 2.5718308261	-1.3929294788	 0.118574
+H	 3.4401545766	 0.715101411	-2.6861157876	 0.083761
+H	 2.5180592483	-1.5033259219	-0.2814192826	 0.131606
+H	 1.3089246953	-0.334868919	 0.3474207321	 0.098668
+19
+0 1098	2.4383246	1.4199206	0.9177998	0.9166	81.3	-0.23908	-0.0521	0.18697999999999998	1266.3905	0.154779	-422.582172	-422.572396	-422.571451	-422.617735	33.856
+C	 1.3880604975	 1.9148377867	-1.3328747033	-0.487127
+C	 1.3640239315	 0.7251506949	-0.3873338029	 0.29916
+O	 2.398013716	 0.2803314474	 0.0770244249	-0.317122
+C	 0.0301223237	 0.1565956595	-0.0759130505	 0.100767
+C	-0.2463791177	-0.8873996288	 0.7263288269	 0.187252
+C	 0.6643925225	-1.7623886725	 1.5195368934	-0.509738
+C	-1.7345285338	-1.1061598913	 0.7429188728	-0.136082
+O	-2.2961741404	-0.1172716424	-0.1043176688	-0.265701
+C	-1.263936607	 0.6991193522	-0.645155975	-0.171179
+H	 0.7977181972	 2.7438754058	-0.9258462166	 0.140235
+H	 2.4186438812	 2.2375113544	-1.4818727954	 0.141486
+H	 0.941486474	 1.6504407455	-2.2983309507	 0.140186
+H	 0.3976919036	-1.7204744762	 2.5834713193	 0.13286
+H	 0.5439556587	-2.8097173395	 1.2138064222	 0.132906
+H	 1.7036147098	-1.466554847	 1.3950960766	 0.176824
+H	-1.9987037625	-2.1146232481	 0.3831075816	 0.110491
+H	-2.1447603836	-1.0156832328	 1.7626189881	 0.110486
+H	-1.295153217	 0.6512865639	-1.7452209106	 0.107147
+H	-1.4413151937	 1.7498447382	-0.3660303919	 0.107149
+19
+0 1099	3.3106458	1.1422223	0.8796324	1.9466	79.79	-0.24349	-0.04778	0.19571	1313.5032	0.156746	-422.58025	-422.571406	-422.570462	-422.614205	32.378
+C	-2.2623900629	-2.1298938444	-1.1696899427	-0.493496
+C	-1.1615307504	-1.4465414561	-0.3759494651	 0.322853
+O	-0.5339224366	-2.0558975367	 0.4669010106	-0.308707
+C	-0.8796752681	-0.0045348684	-0.673955895	 0.140937
+C	 0.0901235264	 0.6206977621	 0.0060186303	-0.101856
+C	 0.4058456449	 2.0722236476	-0.1899847979	-0.264137
+C	-0.7250614886	 2.7561605441	-0.9614031504	-0.084349
+O	-1.1045187482	 1.9804065891	-2.0849048565	-0.244456
+C	-1.6782978275	 0.7399854759	-1.7235439195	-0.177072
+H	-2.4082708538	-3.1389108698	-0.7837183622	 0.14254
+H	-3.2025865619	-1.5703955887	-1.1095157695	 0.136426
+H	-1.9914926738	-2.185370599	-2.2305363622	 0.143244
+H	 0.6584718302	 0.0458657997	 0.731931113	 0.122771
+H	 0.558916256	 2.5628827543	 0.779743073	 0.114017
+H	 1.3551983859	 2.1733809645	-0.7345321421	 0.127475
+H	-1.589391218	 2.9138998502	-0.2952540629	 0.092649
+H	-0.4165011931	 3.7299130562	-1.3505361809	 0.1117
+H	-2.7178771645	 0.8872754933	-1.3757545042	 0.099847
+H	-1.7368210559	 0.162318606	-2.6523484758	 0.119614
+19
+0 1100	3.3946608	1.11285	0.8678802	2.232	79.75	-0.24239	-0.04747	0.19491999999999998	1323.5525	0.156773	-422.581074	-422.572288	-422.571344	-422.614922	32.294
+C	 2.3604548327	 2.9770840311	 2.8571428684	-0.49144
+C	 1.3574243617	 2.1052323067	 2.121377476	 0.315598
+O	 0.2348848482	 1.9460030733	 2.5577763589	-0.308995
+C	 1.8032989735	 1.4516521357	 0.8460725007	 0.174314
+C	 0.9400001673	 0.6553111256	 0.2028442563	-0.116495
+C	 1.2891214184	-0.0818966833	-1.0513237015	-0.129014
+O	 2.6622917186	-0.0344615395	-1.3786616765	-0.243881
+C	 3.2159753539	 1.2572786475	-1.1975440156	-0.087199
+C	 3.1877457852	 1.6727676489	 0.2764579806	-0.322764
+H	 1.9258213817	 3.2992077261	 3.8035471675	 0.141523
+H	 3.2960382904	 2.4377244322	 3.0407983909	 0.136885
+H	 2.6148565507	 3.8596599896	 2.2588863104	 0.140264
+H	-0.0624651054	 0.5324926379	 0.6033445707	 0.125594
+H	 1.0324646927	-1.1435731725	-0.948283015	 0.129124
+H	 0.6721265345	 0.3078969559	-1.8837764861	 0.107085
+H	 4.2402630561	 1.206682714	-1.5761146912	 0.11128
+H	 2.6656361333	 1.997948935	-1.8012922112	 0.092134
+H	 3.9350309204	 1.0964703617	 0.8380923371	 0.120448
+H	 3.4844547461	 2.7251632142	 0.3570761397	 0.105537
+19
+0 1101	2.6690685	1.4714716	1.1833954	2.5042	75.98	-0.23682	-0.01385	0.22297	1113.9456	0.154042	-422.517132	-422.507997	-422.507053	-422.551477	33.616
+C	 3.0141612326	 2.9873383622	-4.6129639878	-0.486291
+C	 2.1951414101	 3.7274157635	-3.5803757489	 0.367889
+O	 1.742523188	 4.8341948997	-3.7757383529	-0.3132
+C	 1.9294975307	 3.0550447203	-2.2413859126	-0.122016
+C	 2.0485676662	 1.5224145275	-2.0627252807	 0.01902
+C	 1.0450388306	 1.5826010456	-0.8916137193	-0.266142
+C	 0.4999322193	 2.4436169515	-2.0612620766	 0.413099
+C	-0.8285689015	 3.0969240403	-2.2595766307	-0.50981
+O	 0.9082395936	 1.3439842136	-2.9933595819	-0.352446
+H	 3.9883738646	 2.7036090582	-4.1974216005	 0.130259
+H	 2.4928441694	 2.0618630112	-4.8766355649	 0.164135
+H	 3.1550985586	 3.6119180102	-5.4959963742	 0.135433
+H	 2.2778770339	 3.6902115395	-1.4209089279	 0.096462
+H	 2.9109373034	 0.8706474679	-2.200654222	 0.097671
+H	 0.4974321661	 0.6564356982	-0.7122138691	 0.110236
+H	 1.3442670915	 2.0924152709	 0.027606427	 0.098284
+H	-1.008546456	 3.8247133942	-1.4625847657	 0.133223
+H	-0.8566829196	 3.6247592324	-3.216415615	 0.150536
+H	-1.6269595013	 2.3492362229	-2.2374038964	 0.133657
+19
+0 1102	2.6388201	1.4312356	1.1564104	3.4477	76.41	-0.23548	-0.0114	0.22408	1125.8882	0.15555	-422.534368	-422.525559	-422.524615	-422.568045	33.182
+C	-2.0507744206	-3.1010895576	-2.2103471456	-0.484717
+C	-1.0133411855	-2.2728659826	-2.9485252026	 0.351836
+O	-0.5763286526	-2.6002274293	-4.0307049619	-0.307435
+C	-0.5956520821	-1.0051323631	-2.2430533629	-0.132614
+C	 0.2598333959	 0.0747345239	-2.9570433829	-0.062736
+C	-0.2626640007	 1.1036460761	-1.9093240751	-0.294886
+C	-1.5037953135	 0.2915718335	-2.384073633	 0.379766
+O	-2.8288578052	 0.4310203928	-2.0245540522	-0.463561
+C	-0.9824511659	 0.4423542766	-3.8295783234	-0.259953
+H	-1.6617453725	-3.4319167049	-1.2404472191	 0.132469
+H	-2.9313727507	-2.4797629017	-2.007685498	 0.146765
+H	-2.3325766626	-3.9693191313	-2.8071049234	 0.139374
+H	-0.3177823623	-1.221634046	-1.203831658	 0.070516
+H	 1.2832989321	-0.0435521178	-3.2996209073	 0.093715
+H	 0.0592744972	 0.9618693743	-0.8730143439	 0.086499
+H	-0.2335015009	 2.1548237536	-2.206882827	 0.098994
+H	-2.8844718678	 0.4814582451	-1.0638615918	 0.286335
+H	-1.3012603297	-0.2946862462	-4.5641125569	 0.125931
+H	-1.0014623624	 1.4580528945	-4.2321551552	 0.093702
+19
+0 1103	3.0180218	1.4021554	1.3006718	2.6933	74.55	-0.24071	-0.01427	0.22644	1067.0292	0.157068	-422.556171	-422.547966	-422.547022	-422.589638	30.838
+C	 3.7446568153	 1.3601305301	-0.3736019002	-0.485078
+C	 3.2803069758	 0.3221607278	-1.3768197706	 0.372426
+O	 4.054007843	-0.2846295805	-2.0833721568	-0.306311
+C	 1.7847195017	 0.0841364004	-1.4473286387	-0.10653
+C	 1.2079923409	-1.2576837409	-2.0055056054	-0.082186
+C	-0.0660003131	-0.935290061	-1.1592449007	-0.24071
+C	 1.0108665588	-0.4039598296	-0.1850695641	 0.091876
+O	 1.7349017441	-1.5797269401	 0.2037444453	-0.285922
+C	 1.884410688	-2.2683854602	-1.069397348	-0.086857
+H	 3.5987204649	 0.9633828703	 0.6381319392	 0.157218
+H	 4.8025423703	 1.5787097063	-0.5246943411	 0.14174
+H	 3.1535063553	 2.2791387435	-0.4478948763	 0.129509
+H	 1.297009221	 0.9556612332	-1.8969145477	 0.098082
+H	 1.1777312124	-1.4873236068	-3.0682593251	 0.083824
+H	-0.6877414313	-0.1519689019	-1.5952504367	 0.102664
+H	-0.6734501778	-1.7729771965	-0.8090705219	 0.103879
+H	 0.805741659	 0.2126729422	 0.6886048995	 0.082131
+H	 2.9426016874	-2.4278120877	-1.2847050757	 0.131066
+H	 1.3628977343	-3.2314452786	-1.0342146549	 0.099178
+19
+0 1104	3.044842	1.3629889	1.2259807	1.9469	74.33	-0.23987	-0.0234	0.21647	1096.3649	0.157205	-422.557853	-422.549583	-422.548639	-422.591669	30.891
+C	-0.2680803099	-2.0578374266	-3.9992181214	-0.480954
+C	-0.4828602586	-0.5555199203	-4.0628219064	 0.356684
+O	-0.7786459209	 0.0019727091	-5.0973735892	-0.302827
+C	-0.2974057187	 0.1825532966	-2.7542162997	-0.087469
+C	-0.4534548055	 1.7140720754	-2.5873119553	 0.050203
+C	-1.8482297724	 2.0517533465	-3.148095081	-0.213756
+C	-2.6286811783	 0.8929323617	-2.4493842921	-0.224482
+C	-1.4344251449	 0.2833623828	-1.6856788406	 0.057667
+O	-0.7577656508	 1.4658638131	-1.1718849677	-0.298791
+H	 0.7803435442	-2.2743546353	-3.7628023325	 0.144418
+H	-0.869769061	-2.5033258517	-3.1988978136	 0.138999
+H	-0.5252600176	-2.511718789	-4.9569080253	 0.143809
+H	 0.6082951986	-0.1603672581	-2.2466188515	 0.098587
+H	 0.3708846661	 2.4072887594	-2.7492095686	 0.084754
+H	-2.1675298548	 3.0368726619	-2.8026094412	 0.103601
+H	-1.8862889379	 2.0087719865	-4.2355161229	 0.132394
+H	-3.3931720643	 1.2482597006	-1.7559306399	 0.109567
+H	-3.0907181358	 0.1952936443	-3.1530317901	 0.106184
+H	-1.6102313975	-0.4927990369	-0.940655171	 0.081412
+19
+0 1105	3.0726701	1.2559622	1.0511772	2.9274	78.07	-0.23088	-0.02198	0.2089	1203.3918	0.155625	-422.553342	-422.544581	-422.543637	-422.586734	33.12
+C	-2.9896849119	 0.2034624989	-3.9749463577	-0.484668
+C	-2.025212755	-0.5079714895	-3.0504890057	 0.391731
+O	-1.7158316385	-1.6787574081	-3.2387251494	-0.367087
+C	-1.4953245045	 0.2654987548	-1.9078372666	-0.224929
+C	 0.0062513594	 0.080013244	-1.6075151675	-0.13308
+C	 0.378763375	 1.0293520318	-0.4643136246	-0.241426
+C	-0.6645160095	 0.3035540188	 0.4538721263	-0.290694
+C	-1.0138069076	-0.5969013554	-0.7241743739	 0.452221
+O	-1.3773955176	-1.9000650816	-0.5533383564	-0.459434
+H	-3.8664392228	 0.5438070817	-3.4119801672	 0.145398
+H	-2.5200235356	 1.0969367888	-4.4011754459	 0.143241
+H	-3.3041569385	-0.4687199313	-4.7738682974	 0.143264
+H	-1.9384888736	 1.246627807	-1.7460310205	 0.078994
+H	 0.6589184364	-0.3217074965	-2.3729279096	 0.104707
+H	 1.404058257	 0.8884514805	-0.1165623818	 0.114405
+H	 0.2120632239	 2.0952703413	-0.6496473844	 0.100003
+H	-0.1840250687	-0.2595643208	 1.2565057039	 0.121883
+H	-1.4789349853	 0.9009726608	 0.873438541	 0.101842
+H	-1.4600149626	-2.2756866753	-1.4492905925	 0.303629
+19
+0 1106	3.0241328	1.1937803	1.0675765	1.5775	78.05	-0.2356	-0.01562	0.21998	1215.4368	0.154593	-422.539599	-422.530381	-422.529436	-422.573633	33.699
+C	-1.8991563434	-1.2945925577	-1.5798466087	-0.484903
+C	-1.1364202629	-0.0930474817	-2.1064834302	 0.372024
+O	-1.6045249217	 0.6407885309	-2.9573653606	-0.334749
+C	 0.2078114225	 0.1363777969	-1.5137272681	-0.206937
+C	 1.1916767072	 0.9375817316	-2.370782906	-0.175251
+C	 2.5104986698	 1.019159982	-1.6217983809	-0.112815
+O	 1.8356967611	 1.5460617865	-0.4430393613	-0.31807
+C	 0.5978683532	 1.5815315464	-1.1590456529	 0.479733
+C	-0.3319821164	 2.7164553198	-0.894302829	-0.502
+H	-2.0083777657	-1.2302544988	-0.4912512361	 0.141115
+H	-2.8819180674	-1.3442569151	-2.0497332378	 0.140736
+H	-1.3437954154	-2.2163887806	-1.7883725867	 0.140733
+H	 0.5935283325	-0.6399373546	-0.8579969801	 0.088833
+H	 0.9947078049	 1.1055350916	-3.4202033114	 0.123961
+H	 3.0467384364	 0.0859665689	-1.4153363097	 0.109091
+H	 3.2016006891	 1.7652079883	-2.0287831808	 0.117948
+H	-0.6569879921	 2.7058689966	 0.1519134361	 0.129078
+H	 0.1714665582	 3.6694490115	-1.0830939691	 0.12991
+H	-1.2075313598	 2.6440980478	-1.5410512167	 0.161563
+19
+0 1107	2.6889925	1.3056399	1.1307295	3.583	77.39	-0.22829	-0.01117	0.21711999999999998	1185.5641	0.154608	-422.530011	-422.520718	-422.519774	-422.564477	33.635
+C	-2.1254015857	 0.4208046543	-0.6073223101	-0.482422
+C	-1.4865663912	-0.8643968695	-1.1101342641	 0.38773
+O	-2.0478946189	-1.9342160643	-1.0050433764	-0.316121
+C	-0.1272817417	-0.7055445297	-1.7110045903	-0.211768
+C	 1.1260870559	-1.3863941386	-1.1508897855	 0.055095
+O	 0.8544863458	-2.6617084462	-0.6094171142	-0.275196
+C	 0.4376136223	-3.1354774805	-1.9245783667	-0.122436
+C	 0.6434669032	-1.738685649	-2.5291285294	 0.22229
+C	 1.1743080109	-1.4569458167	-3.9041250748	-0.496901
+H	-1.4645197119	 0.9241463776	 0.1072814596	 0.139
+H	-2.2845200932	 1.1164433175	-1.439770569	 0.135537
+H	-3.0810269299	 0.1954235827	-0.1329122418	 0.140928
+H	 0.1058722769	 0.3105069107	-2.0243001615	 0.090036
+H	 1.972954761	-0.8294729669	-0.763726063	 0.109604
+H	 1.1692797105	-3.8560216472	-2.3075633806	 0.102793
+H	-0.5683083769	-3.552035898	-1.9141798425	 0.143293
+H	 0.4076246818	-1.6321086499	-4.6677955069	 0.130656
+H	 1.500381905	-0.4162924305	-3.9978998879	 0.122453
+H	 2.0313284661	-2.0990215857	-4.1355950246	 0.125426
+19
+0 1108	3.7902684	1.0079316	0.9779313	2.8877	77.32	-0.23338	-0.00882	0.22456	1298.0503	0.156736	-422.567122	-422.558456	-422.557512	-422.600956	31.707
+C	 4.8755668144	 0.9013207358	-6.0112407665	-0.486398
+C	 3.5431771451	 0.7212240878	-5.3081013178	 0.374999
+O	 2.484656747	 0.8032909398	-5.9019429143	-0.333088
+C	 3.594111982	 0.4090186654	-3.8567546218	-0.205128
+C	 2.3435715937	 0.728439154	-3.0325265239	-0.077612
+C	 2.5109283757	 0.8040189846	-1.5236395819	-0.262023
+C	 3.2329355664	-0.5221170702	-1.1884987245	-0.091043
+O	 2.9529167956	-1.4311025257	-2.261010101	-0.255437
+C	 2.6119305925	-0.6838498049	-3.3850645715	 0.132548
+H	 5.5011096278	 0.0117131852	-5.8752358748	 0.140536
+H	 4.713395857	 1.0807375585	-7.0745866153	 0.1407
+H	 5.4231128814	 1.7445391026	-5.5742533641	 0.137838
+H	 4.5647904712	 0.4454936457	-3.3738253711	 0.088452
+H	 1.5714487341	 1.2944582314	-3.538645755	 0.117921
+H	 3.0793009743	 1.6724470906	-1.1788144969	 0.111143
+H	 1.5209058684	 0.8443267833	-1.0580248223	 0.117997
+H	 4.3175101018	-0.3686592438	-1.1106212235	 0.105013
+H	 2.8911098928	-0.9852427524	-0.2593936032	 0.116571
+H	 2.0687978488	-1.2431745177	-4.1360457707	 0.127012
+19
+0 1109	3.8024332	0.9934789	0.9787117	1.2418	76.98	-0.24505	-0.01256	0.23249	1298.1575	0.156997	-422.571489	-422.562918	-422.561974	-422.60527	31.404
+C	 2.2429624467	-1.629667975	-3.6116036816	-0.486039
+C	 1.8469654549	-1.2582005951	-2.1955427899	 0.369203
+O	 2.2300663385	-1.8906303399	-1.232003596	-0.327909
+C	 0.9572383021	-0.0697738763	-2.0486647149	-0.139476
+C	 1.1508467183	 0.7803366795	-0.7983635202	-0.055984
+C	 0.6229276042	 2.1991035114	-0.8892927896	-0.108022
+O	-0.6847843753	 2.0840237137	-1.4461262789	-0.255408
+C	-1.2337979533	 0.8288735649	-1.0503947167	-0.108031
+C	-0.0471717883	-0.1037904491	-0.9024958762	-0.055942
+H	 2.7613806036	-0.7914577204	-4.0914369611	 0.140444
+H	 2.8899755056	-2.5073548076	-3.6008006942	 0.140838
+H	 1.3493897879	-1.8339313829	-4.2127871346	 0.140487
+H	 0.6572635869	 0.4435985736	-2.9569509764	 0.096291
+H	 1.9804383976	 0.5315718104	-0.1486731901	 0.114174
+H	 0.5928762354	 2.6485862589	 0.1168538518	 0.098473
+H	 1.1980108665	 2.8604954716	-1.5454923021	 0.112119
+H	-1.7649383448	 0.908424548	-0.0876621869	 0.098484
+H	-1.9554111693	 0.5335484044	-1.8190320985	 0.112121
+H	-0.1225692073	-1.0206449501	-0.331627204	 0.114177
+19
+0 1110	4.4683366	0.7764256	0.7403127	3.7538	77.76	-0.24355	-0.03329	0.21026	1551.9781	0.154429	-422.574761	-422.565049	-422.564105	-422.611148	33.704
+C	 4.6973633634	 3.5749370659	 3.9069205077	-0.482452
+C	 4.0800613191	 2.2505172843	 3.5004827512	 0.372797
+O	 4.7056811599	 1.2141590596	 3.5225880563	-0.299586
+C	 2.6410309918	 2.296075496	 3.0199714729	-0.077631
+C	 1.8868311695	 0.9544323306	 2.8753915348	-0.265378
+C	 1.3365598389	 1.4224439866	 1.4923049116	-0.061626
+C	 2.4556449999	 2.5083128979	 1.4779864284	-0.260973
+C	 1.3576356563	 0.4140793409	 0.3778757271	 0.156921
+O	 0.4170957779	 0.1236044714	-0.3157359682	-0.24939
+H	 4.2187205122	 3.9365098868	 4.8249760827	 0.144326
+H	 5.7674414206	 3.455460492	 4.0796852306	 0.14489
+H	 4.522744893	 4.3372421813	 3.1392975762	 0.139186
+H	 2.0724507285	 3.0457621863	 3.5778409367	 0.082758
+H	 2.6062071584	 0.1364287533	 2.7779688483	 0.134688
+H	 1.1487723182	 0.6979643957	 3.6367414606	 0.115233
+H	 0.3378486397	 1.8580889321	 1.5629446596	 0.092914
+H	 3.3359817847	 2.1666821983	 0.9237373447	 0.121663
+H	 2.177215503	 3.5037216486	 1.1283987523	 0.118687
+H	 2.352390595	-0.0729965975	 0.2325697163	 0.072973
+19
+0 1111	2.7004934	1.1339034	0.9715205	0.9006	78.48	-0.25262	-0.04605	0.20657	1286.4338	0.153407	-422.58228	-422.57219	-422.571245	-422.617653	35.501
+C	 3.9879325137	 1.5516979866	 0.1945093865	-0.482954
+C	 2.5268535357	 1.4143872878	-0.1856277482	 0.3824
+O	 1.8449963982	 2.3767941994	-0.4733777144	-0.321719
+C	 1.9873481165	 0.0186406571	-0.1887659246	-0.142395
+C	 0.7584090244	-0.2983857915	-0.9865867937	-0.310462
+C	 0.6400240927	-0.2917382488	 0.518750745	 0.220616
+C	-0.1601564422	 0.7781754222	 1.2307667486	-0.499715
+C	 0.6197868054	-1.6464763817	 1.1533662957	 0.103747
+O	 1.2267976302	-2.60835939	 0.7475080997	-0.267461
+H	 4.165383461	 1.1166791254	 1.1847154495	 0.143078
+H	 4.6141473792	 0.9937735388	-0.5113799589	 0.146092
+H	 4.2770274231	 2.6029508951	 0.1915966708	 0.142886
+H	 2.7133404467	-0.7801602523	-0.0831665524	 0.111842
+H	 0.3030137246	 0.5371467958	-1.5068001897	 0.142841
+H	 0.7268646161	-1.2625277404	-1.4806189754	 0.138444
+H	 0.1701664629	 0.8977713784	 2.2687078221	 0.120473
+H	-0.0592837842	 1.740083066	 0.7287017886	 0.167095
+H	-1.221515123	 0.5068219189	 1.2481930852	 0.123781
+H	-0.0221238613	-1.7172411568	 2.0596678556	 0.081409
+19
+0 1112	3.0149963	1.1237767	1.0711264	3.6776	77.55	-0.22925	-0.00444	0.22481	1230.8267	0.155154	-422.536769	-422.527668	-422.526724	-422.571224	33.071
+C	-0.714559886	-3.7401804682	 1.1356306773	-0.508837
+C	-1.4715809842	-3.7484506247	-0.178772158	 0.399936
+O	-1.6334890854	-4.7705136887	-0.81263856	-0.32177
+C	-2.0395855706	-2.4647642764	-0.6998139031	-0.195391
+C	-1.4655144743	-1.0816308598	-0.3549816284	-0.380015
+C	-2.7863814763	-1.4717998755	 0.1776143781	 0.444898
+C	-4.1848708532	-0.9089054481	-0.0523949652	-0.350533
+C	-4.3943804822	-1.2575749224	 1.4366782734	-0.073412
+O	-3.0142224713	-1.6842081216	 1.5688964397	-0.296442
+H	-1.3121766445	-3.2654290845	 1.9190996025	 0.166438
+H	-0.4715761584	-4.7678962741	 1.4074596289	 0.136529
+H	 0.2152422584	-3.1679076307	 1.039074722	 0.133753
+H	-2.445581442	-2.585087201	-1.6995161336	 0.106005
+H	-0.6439883794	-1.0502742711	 0.352711363	 0.133269
+H	-1.4060500055	-0.3510321153	-1.1550871277	 0.126257
+H	-4.213476198	 0.1581555773	-0.2818552069	 0.121415
+H	-4.8051108604	-1.454355828	-0.7648657163	 0.126137
+H	-4.6181691117	-0.4210545255	 2.1056204684	 0.115026
+H	-5.089774585	-2.0806096517	 1.6331010158	 0.116738
+19
+0 1113	3.2044362	1.0717612	1.020725	3.2298	77.12	-0.24321	-0.01805	0.22516	1265.9727	0.155236	-422.536527	-422.527372	-422.526428	-422.571134	32.806
+C	 1.9423358429	 3.0672938488	 1.4158425399	-0.484244
+C	 1.2123674491	 3.1157615845	 0.0883894445	 0.394148
+O	 0.1991674668	 3.7679033824	-0.0684051147	-0.331523
+C	 1.7920221766	 2.3064077835	-1.0229369565	-0.198592
+C	 1.5899650749	 2.8199566992	-2.4475938978	-0.346435
+C	 0.823170998	 1.6441471103	-1.9883310922	 0.303927
+C	-0.6828263223	 1.4647988355	-1.8322505002	-0.127895
+O	-0.5797708648	 0.1002644842	-2.3113112347	-0.277684
+C	 0.8467027546	 0.2032867104	-2.4870058723	-0.138915
+H	 1.427108573	 3.6886973803	 2.1488524306	 0.143314
+H	 1.9980240022	 2.0343583331	 1.7788930509	 0.141736
+H	 2.9744772222	 3.41558344	 1.2933695619	 0.141216
+H	 2.7120228259	 1.7703605446	-0.8109094639	 0.089313
+H	 1.0587644885	 3.7628148254	-2.5290099604	 0.141487
+H	 2.4074165691	 2.6736569634	-3.1459761524	 0.120001
+H	-1.0772019284	 1.5170708715	-0.8124691754	 0.115551
+H	-1.3023775555	 2.0863400985	-2.4893793386	 0.109964
+H	 1.3947898902	-0.5153661718	-1.8628558723	 0.100711
+H	 1.1467383569	 0.0696809662	-3.5352915961	 0.103921
+19
+0 1114	3.1602536	1.079363	1.0434211	3.3636	77.21	-0.24709	-0.0269	0.22019	1270.6782	0.154549	-422.541317	-422.532114	-422.53117	-422.575974	33.234
+C	-1.0085774597	-1.0619136199	-3.3146103809	-0.489757
+C	-0.6317339119	-0.2870798087	-2.0665930015	 0.388215
+O	-1.2067388369	-0.4208046697	-1.0112427321	-0.307123
+C	 0.4967961658	 0.6974746419	-2.2299518034	-0.183037
+O	 1.2293131575	 1.0402747917	-1.0466840131	-0.262852
+C	 0.4081836029	 2.0352187	-1.5946922984	 0.469062
+C	 0.8819738578	 3.3766833055	-2.1622140192	-0.313017
+C	-0.5143019721	 3.9547190773	-1.7770223526	-0.216227
+C	-0.7855010133	 2.6922057118	-0.9018737024	-0.298862
+H	-1.9019947887	-1.657385389	-3.1253502089	 0.146293
+H	-1.1839321897	-0.3809022906	-4.1556786669	 0.138428
+H	-0.183338355	-1.7214723106	-3.6085711309	 0.146682
+H	 1.106285454	 0.5946562131	-3.1284000596	 0.09557
+H	 1.6902502265	 3.7932231932	-1.5538095373	 0.120889
+H	 1.179362262	 3.4084371726	-3.2129482065	 0.106001
+H	-0.5149905893	 4.9155807061	-1.260725203	 0.108215
+H	-1.1877559179	 4.0180361806	-2.6347551926	 0.107536
+H	-0.5717480983	 2.8601758455	 0.1574182115	 0.121679
+H	-1.7540071838	 2.1979039992	-0.9851093123	 0.122306
+19
+0 1115	3.2301058	0.8744773	0.8501777	0.8324	78.83	-0.24943	-0.03389	0.21554	1470.7495	0.153743	-422.59132	-422.581215	-422.580271	-422.627452	35.17
+C	-0.2240109142	 1.8809607514	-0.4982515616	-0.484851
+C	 0.5368509602	 1.4929182478	 0.7530318139	 0.378029
+O	 1.7482826702	 1.43422594	 0.7844469104	-0.323753
+C	-0.2924644027	 1.1858482836	 1.9603879482	-0.114444
+C	 0.265417454	 1.5441736041	 3.3098012645	-0.276336
+C	 0.2404699449	 0.0972537348	 2.9019416023	-0.114441
+C	-0.7778137303	-0.795111999	 3.5395492091	 0.37803
+C	-0.3554343982	-2.2316192037	 3.7702882683	-0.484851
+O	-1.8749713961	-0.3825525662	 3.8526615713	-0.323754
+H	-0.8460984831	 2.7623007796	-0.3039161737	 0.144823
+H	 0.4725983842	 2.0903646714	-1.3104384907	 0.142785
+H	-0.9051403344	 1.0731985919	-0.7903027387	 0.143344
+H	-1.3712217048	 1.2130598937	 1.8583158022	 0.111443
+H	 1.2338702203	 2.0300984114	 3.3178383353	 0.140789
+H	-0.4492607302	 1.8443017424	 4.0669321277	 0.14079
+H	 1.186916657	-0.3397739857	 2.6050882707	 0.111444
+H	-1.1641573938	-2.7883109801	 4.244443707	 0.142785
+H	-0.0871851259	-2.7027467423	 2.817507735	 0.143341
+H	 0.5403481128	-2.2651950953	 4.4011345988	 0.144827
+19
+0 1116	3.3991614	0.8700998	0.8057984	2.5672	78.49	-0.2455	-0.01335	0.23215	1488.8021	0.154814	-422.540629	-422.531193	-422.530249	-422.576012	33.453
+C	 5.6229529525	-4.964487207	-1.1472902368	-0.486177
+C	 5.7066921096	-3.531164601	-0.6620735114	 0.384787
+O	 6.7670099897	-2.9636785862	-0.4979842317	-0.326847
+C	 4.4071442178	-2.8492946039	-0.3810433889	-0.134763
+C	 4.3534255348	-1.3400764146	-0.5283712094	-0.296229
+C	 4.3659628439	-1.9309863058	 0.8420697489	-0.01621
+C	 3.139602833	-1.9095727996	 1.6853210149	 0.083637
+C	 3.1325457908	-1.3353066172	 3.0373996856	-0.185692
+O	 3.1354953073	-2.7503633238	 2.8430097619	-0.237213
+H	 5.0923512439	-5.5799580347	-0.4116261653	 0.145774
+H	 5.0465694085	-5.0157635478	-2.0783644233	 0.139167
+H	 6.6244401855	-5.3635172888	-1.3104275463	 0.141755
+H	 3.5039903952	-3.4088905859	-0.6002026891	 0.090165
+H	 5.2660731685	-0.8684936205	-0.873492769	 0.141506
+H	 3.4291502079	-0.9127842938	-0.9022979385	 0.117037
+H	 5.3060695231	-1.873195155	 1.3817511667	 0.115692
+H	 2.1978574688	-1.9140050937	 1.1318751869	 0.08978
+H	 4.0524453085	-0.9175727575	 3.4448002965	 0.117738
+H	 2.2128963908	-0.9171118131	 3.4447457485	 0.116092
+19
+0 1117	3.7563863	0.8375872	0.7779512	2.5639	78.19	-0.2447	-0.02282	0.22188	1525.7934	0.154389	-422.538197	-422.528679	-422.527735	-422.573571	33.803
+C	-0.0062399852	 0.9443532969	 3.823416078	-0.483697
+C	-0.9222011704	-0.2546675716	 3.9464283961	 0.359944
+O	-1.6798758586	-0.4187676563	 4.8762375111	-0.302609
+C	-0.8846618939	-1.2709900608	 2.8370061674	-0.068074
+O	-0.2327323964	-0.912758773	 1.6127004397	-0.246685
+C	 0.3792144811	-1.9194259498	 2.4151328907	 0.060412
+C	 0.4081175909	-3.3085346713	 1.8826773225	-0.00444
+C	 1.6895815981	-3.8537908071	 1.2946953556	-0.267719
+C	 1.1970350101	-4.3650531435	 2.6206532186	-0.268457
+H	-0.1069948548	 1.567734883	 4.7121230528	 0.1402
+H	 1.0378580196	 0.6389805226	 3.6989173394	 0.140448
+H	-0.2680046844	 1.5160513556	 2.9271383486	 0.156933
+H	-1.8063013263	-1.8426909391	 2.7348945905	 0.112711
+H	 1.300575547	-1.5969462762	 2.9055498026	 0.092199
+H	-0.5187652891	-3.6214097366	 1.4125617059	 0.096187
+H	 1.6119830452	-4.4984634342	 0.4268565763	 0.122292
+H	 2.5587913431	-3.2044053995	 1.2903477858	 0.118716
+H	 0.7777969189	-5.3630440975	 2.6727969906	 0.122735
+H	 1.7343189051	-4.0637289615	 3.5140228079	 0.118902
+19
+0 1118	2.5895071	0.9262211	0.7812007	1.6246	77.79	-0.24869	-0.02638	0.22231	1500.2722	0.153744	-422.57582	-422.565787	-422.564843	-422.612538	34.554
+C	 0.1752813223	 5.1720919171	 0.8504564418	-0.486002
+C	-0.9114659067	 4.1798468087	 0.4884463861	 0.380833
+O	-1.9591421396	 4.1150712603	 1.0983243256	-0.326391
+C	-0.6257211332	 3.2719342666	-0.663680166	-0.123255
+C	-1.8048031369	 2.8355368443	-1.5231503849	-0.295101
+C	-1.1858191033	 1.85371415	-0.5904834883	 0.000238
+C	-0.3526345719	 0.6956988658	-1.1066365117	-0.309092
+C	 0.6725970877	 0.2490419122	-0.0839505478	 0.165779
+O	 1.8546429784	 0.1586876185	-0.2906992835	-0.23624
+H	-0.1361477082	 5.7740143758	 1.7045489354	 0.142459
+H	 1.1061302033	 4.6435314818	 1.0866590577	 0.144861
+H	 0.3906891225	 5.8235914901	-0.0044687689	 0.141699
+H	 0.3312999425	 3.3968955364	-1.1591672627	 0.096119
+H	-2.76569052	 3.2527579198	-1.244209561	 0.14184
+H	-1.6258797793	 2.7284245278	-2.5873992797	 0.119719
+H	-1.7502244636	 1.6619907701	 0.3181840079	 0.117462
+H	-1.013260639	-0.1587882519	-1.3153718937	 0.127042
+H	 0.1692418786	 0.9530337648	-2.0329590078	 0.120421
+H	 0.2449843662	 0.0073532119	 0.9173933317	 0.077609
+19
+0 1119	3.4103011	1.0996269	0.9739224	1.0333	76.32	-0.24548	-0.01887	0.22661	1280.8298	0.154073	-422.544449	-422.535085	-422.534141	-422.579232	33.897
+C	 2.3634353183	-3.6953107561	-4.5094768639	-0.481656
+C	 3.1815995436	-2.417667094	-4.503006701	 0.36641
+O	 4.3900943077	-2.4296747558	-4.5726132543	-0.299559
+C	 2.3848613402	-1.1235032512	-4.444864834	-0.122549
+C	 3.2290334833	 0.1551737263	-4.136399663	-0.318112
+C	 2.929553368	 0.666022822	-5.5571467703	 0.43012
+C	 3.7482358953	 1.5770874116	-6.4094956612	-0.501886
+O	 1.4924685302	 0.733084268	-5.669849813	-0.287758
+C	 2.1266430693	-0.5302009658	-5.8590694796	-0.044792
+H	 1.8823606989	-3.8266599772	-3.532848637	 0.145949
+H	 1.5582151829	-3.6399380624	-5.2505469496	 0.138947
+H	 3.0055469222	-4.5524283637	-4.7151131277	 0.1428
+H	 1.4630034038	-1.2589357701	-3.8725656721	 0.08798
+H	 2.8698945637	 0.7923747939	-3.3255284136	 0.104388
+H	 4.2784450011	-0.1074190738	-3.9907476988	 0.134741
+H	 3.7493280769	 2.5938263159	-6.0004916349	 0.131727
+H	 4.7853793277	 1.2308484471	-6.4555284914	 0.134752
+H	 3.3433967071	 1.6186046999	-7.4240960872	 0.133655
+H	 1.9332257999	-1.0577536646	-6.7874595574	 0.104843
+19
+0 1120	3.3351184	1.1165602	0.9794847	2.0934	76.29	-0.23799	-0.01505	0.22294	1259.4367	0.155077	-422.547953	-422.538854	-422.53791	-422.582349	33.794
+C	 4.1693094989	-1.7318067016	-1.1015265628	-0.481316
+C	 2.6928094337	-2.0785122353	-1.134224044	 0.371044
+O	 2.1336052452	-2.5885171119	-0.1892546108	-0.304847
+C	 1.9724525437	-1.7841089638	-2.4427778181	-0.092905
+C	 0.4161126985	-1.8496737312	-2.3503795979	-0.333951
+C	 0.4243542494	-3.0569029468	-3.2899663773	 0.431639
+O	-0.4605963975	-4.1117715084	-3.2344672658	-0.457447
+C	 1.0958160529	-2.7364365322	-4.5805792571	-0.322044
+C	 1.9582089498	-3.0241489557	-3.3673893943	-0.14132
+H	 4.6314678182	-2.1329650335	-0.1988611972	 0.141613
+H	 4.6791443012	-2.1167749395	-1.9914063913	 0.13977
+H	 4.2886682233	-0.6417913878	-1.1170985588	 0.144044
+H	 2.3925650922	-0.8865348414	-2.9108352443	 0.074186
+H	 0.1249432694	-2.1173593878	-1.3316214991	 0.125487
+H	-0.1442839917	-0.9699730881	-2.6817493041	 0.095867
+H	-0.4752554805	-4.4403907606	-2.327963096	 0.289415
+H	 1.0640383717	-3.5472366454	-5.3016330483	 0.122546
+H	 1.0546786513	-1.7390714472	-5.0147669766	 0.10393
+H	 2.6875997503	-3.8254311418	-3.3586612961	 0.094289
+19
+0 1121	3.0362163	1.2231442	1.0522862	2.0621	75.92	-0.23263	-0.01677	0.21586	1213.3273	0.15385	-422.537411	-422.528031	-422.527086	-422.572595	33.997
+C	-1.6518787482	 2.6585472841	-2.4805223243	-0.474625
+C	-0.6210472453	 2.3592429307	-3.543353609	 0.349621
+O	-0.6108375527	 2.8821059773	-4.6338124187	-0.301552
+C	 0.4768296511	 1.3561083692	-3.1896758896	 0.012647
+O	 0.1337975262	 0.4798222317	-2.0837872118	-0.331078
+C	 0.1383076766	-0.6612474121	-2.9683696698	 0.464555
+C	-0.9077512062	-1.7038914632	-2.7528899561	-0.486987
+C	 1.5147604058	-0.8550896115	-3.5255864566	-0.345434
+C	 0.5932683023	 0.1781590507	-4.1470045325	-0.167339
+H	-2.2267150108	 1.7547137958	-2.2563284542	 0.151806
+H	-1.1600104693	 2.941634192	-1.5434453922	 0.146348
+H	-2.313454993	 3.455477787	-2.8215503053	 0.137061
+H	 1.3994286945	 1.9213438116	-2.9906703023	 0.106236
+H	-0.7685333305	-2.1910115936	-1.7811309089	 0.135309
+H	-1.9123672156	-1.2699299492	-2.7753963013	 0.126641
+H	-0.8433490989	-2.4727953024	-3.5279333596	 0.128565
+H	 2.3827998335	-0.545020518	-2.9495467576	 0.114707
+H	 1.6552284054	-1.7496287364	-4.1249638503	 0.117345
+H	 0.2961126751	 0.1899769063	-5.1860939297	 0.116173
+19
+0 1122	3.727969	1.0309421	0.9368665	1.6868	76.27	-0.22787	-0.01691	0.21095999999999998	1312.3176	0.154255	-422.536781	-422.527488	-422.526544	-422.572456	33.508
+C	-2.2578471534	 1.6879779492	-3.3834635299	-0.474778
+C	-0.982759447	 0.8839661584	-3.49655691	 0.347269
+O	-0.4258083392	 0.6546303457	-4.5454201761	-0.297245
+C	-0.3820045414	 0.3742859572	-2.1887523956	 0.036912
+C	 0.1310746991	-1.0794291648	-2.1768874794	-0.371801
+C	-0.9279895929	-1.275611203	-1.0974276166	 0.46345
+C	-1.8865660948	-2.3930898782	-0.8636350998	-0.330166
+C	-0.8619719635	-2.0069330389	 0.1992909047	-0.333465
+O	-1.3672729886	 0.0896861783	-1.1657578327	-0.319112
+H	-3.035732976	 1.0786244547	-2.9142804996	 0.15724
+H	-2.1035339513	 2.5483650086	-2.7218515795	 0.142553
+H	-2.5733197577	 2.0262485734	-4.3708163158	 0.137901
+H	 0.3438340381	 1.1236151723	-1.8400955443	 0.105832
+H	-0.0284947481	-1.6143050551	-3.1142435087	 0.130834
+H	 1.164217436	-1.2089214183	-1.8518503717	 0.117027
+H	-2.9208981105	-2.1258354377	-0.6750455296	 0.124966
+H	-1.7475116248	-3.3193212608	-1.4118620689	 0.118909
+H	-1.230511346	-1.4881641482	 1.0777512349	 0.126512
+H	-0.022106588	-2.6702445128	 0.3802772986	 0.117163
+19
+0 1123	4.4112136	0.8974969	0.8431264	3.9359	77.04	-0.24738	-0.0158	0.23157999999999998	1409.346	0.154772	-422.542094	-422.532925	-422.531981	-422.577204	33.125
+C	-4.3729395134	 2.9376559212	-5.7104362433	-0.482264
+C	-3.4062525476	 3.9288979812	-5.0897976636	 0.377133
+O	-3.1232015436	 4.9743425347	-5.6298609479	-0.299246
+C	-2.8426191939	 3.5554001157	-3.7312933087	-0.089619
+C	-1.611373088	 4.3579249459	-3.2262207499	-0.333381
+C	-2.3326183123	 4.5214799603	-1.890512816	 0.469555
+C	-1.8377531724	 4.2631938227	-0.5379378203	-0.269128
+O	-2.1586634581	 5.590250913	-0.9862513437	-0.266801
+C	-3.6692865841	 4.1025295	-2.505119837	-0.332328
+H	-5.1544693899	 2.658843439	-4.9946998843	 0.139274
+H	-4.8224652389	 3.3619523272	-6.6088124141	 0.143607
+H	-3.8393834359	 2.0155056506	-5.9701035459	 0.142008
+H	-2.7116968231	 2.4731997503	-3.6514805197	 0.080044
+H	-0.6430180249	 3.8535141605	-3.2276924046	 0.106067
+H	-1.5365908871	 5.3038878789	-3.7691006716	 0.142359
+H	-2.5062326904	 3.8531654702	 0.2186674236	 0.114547
+H	-0.7777454752	 4.0706001942	-0.3750559892	 0.116662
+H	-4.2899481767	 3.3914027662	-1.9561388399	 0.110814
+H	-4.2691376145	 4.9749702582	-2.7808657738	 0.130699
+19
+0 1124	2.6803066	1.3487454	1.112334	2.0156	75.22	-0.23668	-0.0141	0.22258	1164.0327	0.15472	-422.547004	-422.537719	-422.536775	-422.581628	34.101
+C	-1.0176269949	-2.3476969754	-2.6176014272	-0.477925
+C	-1.1606598124	-1.3586726861	-1.4755226165	 0.364355
+O	-2.2293006455	-1.1354441179	-0.9486519611	-0.307066
+C	 0.0948382681	-0.6321331814	-1.0286071107	-0.176201
+C	 1.3691715946	-1.4146124241	-0.5289353823	-0.260497
+C	 1.3192622612	-0.6048465	 0.7732295921	-0.110069
+C	-0.001007996	-0.8616572646	 1.464289973	-0.33522
+C	 0.0502075034	 0.1007503009	 0.3125706125	 0.417009
+O	-0.2787460962	 1.4350563269	 0.4407716909	-0.46627
+H	-0.3687705375	-3.178911674	-2.3191142302	 0.143036
+H	-1.9971222332	-2.7341990221	-2.9020758841	 0.141658
+H	-0.5395912949	-1.87017878	-3.48039741	 0.136435
+H	 0.3900145318	 0.0544872572	-1.8311111855	 0.105498
+H	 1.2527529532	-2.4967651442	-0.4076776301	 0.099899
+H	 2.2487722796	-1.2223671741	-1.1457058313	 0.110975
+H	 2.1774708268	-0.2060116363	 1.2984690468	 0.097112
+H	-0.4978775681	-1.8260402854	 1.3890656684	 0.108376
+H	-0.1069773923	-0.3703794992	 2.4260911524	 0.115718
+H	-1.2367520577	 1.4855226598	 0.5411259131	 0.293178
+19
+0 1125	2.7300123	1.3389792	1.1164795	1.4444	75.87	-0.24487	-0.0197	0.22517	1161.1281	0.154227	-422.544787	-422.535467	-422.534522	-422.579271	33.841
+C	 0.3791021762	-2.0282635832	-0.7809112125	-0.484006
+C	 1.2229399763	-0.7683305302	-0.7319928869	 0.371949
+O	 2.4260597988	-0.7981668603	-0.8699164589	-0.308102
+C	 0.4744453933	 0.5260374156	-0.4609648754	-0.170901
+C	 1.2468862964	 1.8250197624	-0.8671551753	-0.269953
+C	 1.2868576479	 2.2257610066	 0.6082203582	-0.032027
+O	-0.0719084508	 2.2636661959	 1.083220601	-0.291439
+C	 0.5915665046	 1.0000186832	 1.0304793568	 0.431338
+C	 0.64205947	 0.1640481938	 2.2670113804	-0.512897
+H	-0.2700230401	-2.0961093579	 0.0992470271	 0.138829
+H	-0.2816555983	-1.9930834537	-1.6553545394	 0.145524
+H	 1.0197584115	-2.9085782465	-0.8438085854	 0.141948
+H	-0.5663097891	 0.4535261722	-0.7870237331	 0.083863
+H	 2.2325962791	 1.5734772072	-1.2625127524	 0.135462
+H	 0.7237296174	 2.5157409686	-1.5316670586	 0.107743
+H	 2.0048935053	 2.8461689129	 1.1321906999	 0.104657
+H	-0.3258471772	-0.3139060461	 2.4578007986	 0.12933
+H	 1.4004837495	-0.6198936755	 2.17775885	 0.139077
+H	 0.885312069	 0.789141465	 3.1301273056	 0.139605
+19
+0 1126	2.5621474	1.455324	1.1275153	1.858	75.32	-0.23659	-0.01731	0.21928	1148.0948	0.15384	-422.532884	-422.523432	-422.522488	-422.567749	34.025
+C	 3.1767554078	 0.2155699807	-5.1058061676	-0.478147
+C	 2.3761891523	 1.2414144836	-4.338735881	 0.349226
+O	 2.3930835489	 2.4265627384	-4.5844084377	-0.306115
+C	 1.5214428231	 0.7443640625	-3.1788199483	-0.012832
+O	 1.3169544711	-0.690971926	-3.0959757344	-0.305266
+C	-0.1025651494	-0.4883208574	-3.0341448318	 0.061592
+C	-0.5997603431	 0.1357764895	-4.3006583406	-0.353585
+C	 0.0110015659	 1.0091602619	-3.2173279395	 0.271832
+C	-0.6628285837	 2.1911757386	-2.5901729221	-0.499657
+H	 3.8248880388	-0.3420644863	-4.4200018445	 0.148567
+H	 2.5077562894	-0.5267137836	-5.5523760647	 0.151777
+H	 3.7724608632	 0.7080717993	-5.8752365913	 0.136763
+H	 1.9694698357	 1.1124090919	-2.2446537261	 0.108588
+H	-0.6710276999	-1.1126819762	-2.3548218639	 0.108661
+H	-0.0940841671	-0.062700071	-5.2415521807	 0.115694
+H	-1.6788412621	 0.232175471	-4.3779433031	 0.117591
+H	-0.3041791204	 2.3599803449	-1.5686345595	 0.12093
+H	-0.4614658529	 3.0984796124	-3.1699401676	 0.144847
+H	-1.7476211277	 2.0518237257	-2.5488199856	 0.119536
+19
+0 1127	3.4556776	1.2866786	1.1269852	3.8906	74.62	-0.24125	-0.01069	0.23056	1137.3977	0.156888	-422.557554	-422.549227	-422.548283	-422.591881	30.896
+C	-1.1203006737	-1.298739543	-0.8287353837	-0.477774
+C	-0.5087888425	-1.6786233413	 0.5091462366	 0.375819
+O	-0.7069552034	-2.75865262	 1.015425757	-0.293512
+C	 0.4105931043	-0.6508346543	 1.1595118431	-0.100727
+C	-0.2239841233	 0.7527544322	 1.4695764504	-0.252635
+C	 0.0409410655	 0.7428689156	 2.9914383017	 0.088622
+C	 1.5034402335	 0.2667355229	 3.1221010563	-0.243182
+C	 0.8031016795	-1.0108595098	 2.6102022742	 0.082341
+O	-0.3881826102	-0.6034768255	 3.3554289215	-0.295333
+H	-1.6650989225	-2.1500087898	-1.2384696034	 0.143139
+H	-1.8045942738	-0.4514901791	-0.7127794371	 0.143543
+H	-0.34123561	-0.9812092387	-1.5310725746	 0.132643
+H	 1.2886582936	-0.5450964324	 0.5095587999	 0.092626
+H	 0.26338138	 1.5775623978	 0.9437009314	 0.102976
+H	-1.2963273513	 0.7909978725	 1.2655096058	 0.114359
+H	-0.3957603673	 1.533837662	 3.6009817334	 0.082021
+H	 2.2812700625	 0.7384753882	 2.5149473844	 0.091591
+H	 1.8084064934	 0.1721596082	 4.1643669849	 0.115449
+H	 1.1349237456	-2.0253621755	 2.815881518	 0.098036
+19
+0 1128	3.460736	1.2869252	1.1985925	3.3443	75.34	-0.235	-0.01649	0.21850999999999998	1115.432	0.156982	-422.553499	-422.545372	-422.544428	-422.58661	30.79
+C	-1.0015700359	 1.570027834	 3.3200679	-0.486308
+C	-1.1126876596	 1.4824355731	 1.8080578739	 0.365272
+O	-1.6808710269	 2.3203989738	 1.1498727414	-0.291693
+C	-0.4718665054	 0.2430958349	 1.1796386473	 0.027156
+O	-0.0809708449	 0.4516310037	-0.182769482	-0.277788
+C	-0.8285799855	-0.569376985	-0.8765602571	 0.113525
+C	-2.2432298642	-0.4500273883	-0.2658844295	-0.238802
+C	-1.4607347263	-0.9384128701	 0.9982628898	-0.084932
+C	-0.6239797939	-1.8177993982	 0.0147620786	-0.236237
+H	-1.2503387462	 0.6132041478	 3.7924618548	 0.134243
+H	 0.0341864064	 1.7999919947	 3.5977498975	 0.147615
+H	-1.6567212879	 2.3562614221	 3.6962994506	 0.144764
+H	 0.3994588766	-0.0531001474	 1.7804812918	 0.079393
+H	-0.6049352062	-0.5214765698	-1.9402907249	 0.084498
+H	-2.6929900436	 0.5423227661	-0.2506896044	 0.135007
+H	-2.9388820363	-1.206283641	-0.6325360674	 0.10035
+H	-1.9465327734	-1.3372010213	 1.8879785093	 0.078277
+H	 0.4009730977	-2.0782835045	 0.2903898006	 0.100629
+H	-1.1745035945	-2.6944849745	-0.3303601201	 0.105033
+19
+0 1129	3.742032	1.1719891	0.9732771	2.2453	74.88	-0.22955	-0.01342	0.21613000000000002	1230.1102	0.156077	-422.562114	-422.553376	-422.552432	-422.597334	32.019
+C	 0.3607981241	 4.6609502845	-1.5958263406	-0.47089
+C	 0.7582929086	 3.2235141413	-1.3488465824	 0.343246
+O	 1.884236986	 2.8113472412	-1.5087539608	-0.299227
+C	-0.3300549925	 2.274167366	-0.842819651	 0.020673
+C	-0.2449148947	 0.8391700879	-1.4228023079	-0.245423
+C	-1.7015094746	 0.4353998089	-1.5679979332	-0.077588
+C	-2.6018187613	 0.621298223	-0.3565468011	-0.322614
+C	-2.4891975774	 1.7014154313	-1.4002443939	 0.1174
+O	-1.6284711286	 2.7853697834	-1.1553091465	-0.271061
+H	-0.4027081748	 4.7016815795	-2.3783577736	 0.153422
+H	-0.1007679955	 5.0882532892	-0.6991820202	 0.143962
+H	 1.2386838056	 5.2392585135	-1.8852615718	 0.134935
+H	-0.2111552953	 2.2380547016	 0.2527540415	 0.10248
+H	 0.2473032438	 0.8526233102	-2.3995864449	 0.120282
+H	 0.338190768	 0.1845032447	-0.7712668949	 0.118748
+H	-1.9637966178	-0.3070130801	-2.3120528809	 0.094891
+H	-3.5239781119	 0.050622772	-0.3348409367	 0.115442
+H	-2.153667086	 0.7808247817	 0.6188398785	 0.117911
+H	-3.3359680755	 1.9868101603	-2.0126770394	 0.103411
+19
+0 1130	3.7392438	1.0831638	0.9758646	1.3451	74.88	-0.24664	-0.01363	0.23301	1250.3373	0.156568	-422.575601	-422.566953	-422.566009	-422.609822	31.666
+C	 3.1187037612	-0.5571871218	-3.9364766589	-0.47998
+C	 2.2362582097	-1.0167993283	-2.7909002624	 0.370654
+O	 1.8136215206	-2.1491083404	-2.7256025573	-0.305002
+C	 1.8910597143	 0.0359922357	-1.74252975	-0.086321
+C	 0.6526344302	 0.8823514412	-2.192323188	-0.261186
+C	-0.0034412871	 1.2814432444	-0.8864292178	 0.051442
+O	 0.9140600105	 1.8017143464	 0.083583896	-0.260522
+C	 0.5007425267	 0.4279526595	 0.1941336866	 0.046405
+C	 1.5043864784	-0.5541073033	-0.3663298159	-0.261675
+H	 4.1284076684	-0.354710629	-3.5591991751	 0.144846
+H	 3.1688231296	-1.3276548963	-4.7066467589	 0.14167
+H	 2.7490204719	 0.3811953909	-4.3638324507	 0.138069
+H	 2.7356685555	 0.7202307172	-1.6302143899	 0.094237
+H	 0.9371856485	 1.7413028526	-2.8070994201	 0.114358
+H	-0.0517147262	 0.2718565558	-2.7708401036	 0.118548
+H	-0.9954537516	 1.7263397636	-0.8812028256	 0.095852
+H	-0.0835462156	 0.1899775684	 1.0791609434	 0.096565
+H	 2.3757549737	-0.6875449811	 0.2818176364	 0.110647
+H	 1.0350450613	-1.5339067655	-0.5045858184	 0.131392
+19
+0 1131	3.1217347	1.2508375	1.1602972	3.8316	75.21	-0.23339	-0.01139	0.22199999999999998	1137.5702	0.156604	-422.534867	-422.526397	-422.525452	-422.568608	31.35
+C	 4.5310414991	 2.4720874961	-3.3546851743	-0.498558
+C	 3.8654787526	 1.8789384772	-4.5791683562	 0.381947
+O	 3.707602549	 2.5194668856	-5.5954332267	-0.309405
+C	 3.4241767254	 0.4225698974	-4.5262535817	-0.089846
+C	 2.8475702616	-0.2542394675	-3.2379489266	-0.279949
+C	 3.8073467536	-1.4642790632	-3.4294763502	-0.075749
+C	 5.1412863603	-1.317800244	-2.6880976971	-0.079276
+O	 5.664401327	-0.4481921227	-3.7255911365	-0.287376
+C	 4.5187577128	-0.6870905261	-4.5715934506	 0.099759
+H	 5.379484314	 1.8439523887	-3.0652109265	 0.163418
+H	 4.8598150079	 3.4879149054	-3.5770264923	 0.135807
+H	 3.8361206535	 2.494109968	-2.5075109509	 0.131349
+H	 2.75323821	 0.2711665715	-5.3759647812	 0.098513
+H	 3.0158142081	 0.2916241402	-2.3061835586	 0.107561
+H	 1.7841080345	-0.4887859514	-3.3085588977	 0.114627
+H	 3.3683694089	-2.4546982032	-3.5334162854	 0.084485
+H	 5.1157823966	-0.8284653349	-1.7068256715	 0.104875
+H	 5.7325552819	-2.2394997382	-2.6169431456	 0.107482
+H	 4.8079893332	-1.076351479	-5.5507751905	 0.090336
+19
+0 1132	3.6241815	1.1298437	0.9557651	2.598	75.72	-0.24463	-0.01736	0.22726999999999997	1249.5623	0.156024	-422.538427	-422.529733	-422.528789	-422.572696	31.514
+C	 3.3391244894	 1.0493148121	-0.5176881327	-0.480347
+C	 1.9145079519	 0.5581760447	-0.3306135143	 0.363581
+O	 1.669797751	-0.5642292225	 0.049914261	-0.297088
+C	 0.8218205231	 1.5752197623	-0.6191361267	-0.099061
+C	-0.6321671959	 1.0249320249	-0.5891778898	-0.264186
+C	-0.9717619475	 1.9819528898	 0.5674678632	 0.129081
+O	-1.4183621248	 3.2824100816	 0.1190852635	-0.293218
+C	-0.0976088488	 3.8471746556	 0.2764832047	-0.087767
+C	 0.5001951875	 2.4779978284	 0.6280635174	-0.088043
+H	 3.4853936443	 2.0255074316	-0.0429227235	 0.135895
+H	 4.0435125071	 0.3237207177	-0.109467746	 0.143662
+H	 3.5394575538	 1.1846337967	-1.587299045	 0.144827
+H	 1.0964374495	 2.1658722022	-1.4988784056	 0.081795
+H	-1.231236048	 1.1662932868	-1.4903218236	 0.109626
+H	-0.6365204686	-0.0266433115	-0.2922458602	 0.131609
+H	-1.5567546784	 1.6130762329	 1.4135479582	 0.081787
+H	 0.2670742091	 4.329963441	-0.6394750937	 0.099881
+H	-0.0706163057	 4.575111773	 1.0983497179	 0.10271
+H	 1.153408061	 2.3984596027	 1.4965718051	 0.085256
+19
+0 1133	3.7576067	1.1580928	0.9683973	1.8132	75.45	-0.23256	-0.01686	0.2157	1244.8655	0.155551	-422.539293	-422.530465	-422.52952	-422.57407	31.842
+C	-1.202903163	 3.0104638627	-1.9966508287	-0.474856
+C	-0.7915087327	 2.3528598338	-3.2941701235	 0.339304
+O	-1.2676180907	 2.6374180053	-4.3692178165	-0.298648
+C	 0.3083408147	 1.2946295751	-3.2072853266	 0.031209
+O	 0.3428426957	 0.6044877812	-1.9340535886	-0.30945
+C	 0.0447641479	-0.6628231289	-2.5673894542	 0.120117
+C	 1.3114076981	-1.4768231748	-2.9158905468	-0.232113
+C	 1.3369989245	-0.8133110548	-4.3307055678	-0.247173
+C	 0.0557310902	-0.0095364223	-3.9806184449	-0.073228
+H	-1.5947949311	 2.2561715136	-1.3081858821	 0.155489
+H	-0.3286270982	 3.4482275623	-1.5012311429	 0.143095
+H	-1.950057246	 3.7802630458	-2.1916529425	 0.137373
+H	 1.2640419036	 1.7969712677	-3.4267645356	 0.101433
+H	-0.8004316712	-1.1676829947	-2.0928849131	 0.079133
+H	 2.1585522146	-1.2669429345	-2.2595814582	 0.113323
+H	 1.1440702178	-2.5567571026	-2.9437941238	 0.105293
+H	 2.2162870458	-0.2086376521	-4.5686439688	 0.104174
+H	 1.1850254276	-1.5266792105	-5.1434333205	 0.109493
+H	-0.7729227276	 0.0000510578	-4.685331495	 0.096032
+19
+0 1134	3.6915873	0.9674629	0.8588318	4.0318	76.33	-0.23971	-0.02395	0.21576	1370.2229	0.155569	-422.614022	-422.604793	-422.603849	-422.649141	33.101
+C	-4.696652919	-1.5922804572	 0.4689063559	-0.482359
+C	-3.3951686191	-1.6923511694	-0.3011967534	 0.384145
+O	-3.249821895	-2.4633271683	-1.2224102858	-0.304596
+C	-2.2779263879	-0.740648952	 0.1198188408	-0.102421
+C	-2.3397507343	 0.5824795043	-0.7092130561	-0.22918
+C	-0.9305471065	 1.1747571517	-0.5803742534	-0.319475
+C	-0.0022726872	-0.0351162669	-0.4013532707	 0.39637
+O	 1.1998439608	-0.0080168761	-0.431874575	-0.309965
+C	-0.8680033959	-1.2724077142	-0.1627303835	-0.329081
+H	-4.5407504693	-1.9419361556	 1.4967020465	 0.145741
+H	-5.0287325775	-0.5504386592	 0.5381987605	 0.138646
+H	-5.4658159936	-2.2006312788	-0.0078598796	 0.145299
+H	-2.3926186714	-0.4902294355	 1.1812050897	 0.079738
+H	-2.5493017451	 0.3324452578	-1.7551924502	 0.126452
+H	-3.1276882953	 1.256110882	-0.3642000451	 0.108942
+H	-0.6127051132	 1.7924680446	-1.4235501459	 0.133127
+H	-0.8382219398	 1.7917384645	 0.3230430015	 0.132344
+H	-0.8931130524	-1.86425294	-1.0871434602	 0.157554
+H	-0.4460777482	-1.9070109316	 0.619533414	 0.128719
+19
+0 1135	3.1493042	1.0997637	0.9831665	3.257	79.31	-0.22072	-0.01583	0.20489	1301.3522	0.154594	-422.579054	-422.56944	-422.568496	-422.614202	33.873
+C	-1.8880133342	-2.4662814457	 2.7754473322	-0.488057
+C	-1.8640442152	-2.1607393352	 1.2888768183	 0.372744
+O	-1.7328511542	-3.0112821373	 0.4452486772	-0.290582
+C	-2.0383973856	-0.6719209863	 0.9062170676	-0.023703
+O	-1.5343100227	-0.413354024	-0.3887792285	-0.252917
+C	-2.6129836862	-0.2167231721	-1.2965440706	-0.15193
+C	-3.8462631141	-0.0880910113	-0.4364740866	 0.309518
+C	-5.1857768098	 0.2422562136	-1.0074964347	-0.494844
+C	-3.5084108561	-0.3266949101	 0.8289207508	-0.219763
+H	-1.9492166116	-3.5434854706	 2.9340753482	 0.145154
+H	-0.9715327763	-2.0838814099	 3.2407346504	 0.14621
+H	-2.7271453174	-1.9657128908	 3.2710131776	 0.134386
+H	-1.4921563168	-0.0540318318	 1.6363741441	 0.090765
+H	-2.4181314262	 0.6858132814	-1.8945481479	 0.104006
+H	-2.6931934981	-1.0652362568	-1.9941657576	 0.116155
+H	-5.9553261662	 0.283497125	-0.2328840655	 0.129922
+H	-5.1682968035	 1.2090146049	-1.525728408	 0.132666
+H	-5.4898467553	-0.5055404208	-1.7505743989	 0.137132
+H	-4.1692941205	-0.3252364423	 1.6862614418	 0.103139
+19
+0 1136	2.3834926	1.5517947	1.1185972	3.2555	75.87	-0.2429	-0.01172	0.23118	1136.1975	0.155014	-422.542997	-422.533957	-422.533013	-422.577297	33.036
+C	-0.2599099092	 0.0154438344	-6.9880001535	-0.487322
+C	 0.9588629467	 0.0673091933	-6.0911418264	 0.39226
+O	 1.6630355158	 1.0469484124	-6.0031940884	-0.30062
+C	 1.2696920558	-1.2212679883	-5.3309355863	-0.222568
+C	 2.564880893	-1.1652458692	-4.4761578897	-0.233442
+C	 3.3379120429	-1.9286529648	-5.5951784271	-0.309538
+C	 1.9868372341	-2.2672522042	-6.2201290589	 0.457768
+C	 1.4725586155	-3.5537206144	-6.6895405442	-0.266583
+O	 1.7389135376	-2.4717294614	-7.5991405242	-0.263333
+H	-1.1577171849	-0.2159609483	-6.4036962794	 0.130694
+H	-0.3892860397	 0.9684150194	-7.5022718349	 0.138856
+H	-0.1259985452	-0.7934159594	-7.7151534212	 0.164765
+H	 0.3582090031	-1.5846174292	-4.8460356248	 0.086931
+H	 2.9120574584	-0.1543382053	-4.2656313672	 0.131931
+H	 2.4801033137	-1.7356017356	-3.549746167	 0.10298
+H	 3.912716364	-1.2506962874	-6.2316628979	 0.131625
+H	 3.9717640385	-2.7671631085	-5.2990264669	 0.107112
+H	 2.1449564183	-4.405998562	-6.7774770176	 0.121924
+H	 0.4202126716	-3.8017870215	-6.5558240545	 0.116558
+19
+0 1137	2.4696834	1.4292713	1.1052157	3.2063	75.79	-0.23172	-0.02087	0.21085	1162.6406	0.154634	-422.534184	-422.524959	-422.524015	-422.569002	33.312
+C	 3.744191258	-0.7758213465	-2.4788233609	-0.483853
+C	 2.587915236	-0.1319386787	-1.737502753	 0.385304
+O	 2.760195687	 0.6649841635	-0.8447948336	-0.295752
+C	 1.1940705601	-0.5378710313	-2.194786135	-0.25811
+C	 0.0198191414	-0.0615690002	-1.3197882418	-0.093615
+O	-0.5042895559	 0.7721557891	-2.3823714648	-0.303906
+C	 0.5551358918	 0.388402926	-3.2490990112	 0.477347
+C	 1.1685335322	 1.3542951043	-4.2080544571	-0.33759
+C	 0.3392516673	 0.1770667433	-4.7099485504	-0.336784
+H	 3.7816995804	-1.8451729967	-2.237433907	 0.144293
+H	 3.6060574296	-0.7043412563	-3.5634356221	 0.138007
+H	 4.684817718	-0.3067010788	-2.1884896146	 0.14584
+H	 1.1716529664	-1.5927299502	-2.4802209155	 0.091447
+H	-0.6943461263	-0.8362546203	-1.0227838724	 0.103676
+H	 0.3313864972	 0.5292695785	-0.4543841717	 0.131866
+H	 0.7161779531	 2.3391498315	-4.2512138588	 0.132854
+H	 2.2417150079	 1.344744498	-4.3679267355	 0.116812
+H	-0.6535268096	 0.389730209	-5.0919519614	 0.12967
+H	 0.8495628154	-0.6455446542	-5.2016902533	 0.112495
+19
+0 1138	2.4608346	1.4903298	1.0977086	2.0508	75.48	-0.23352	-0.01716	0.21636	1154.9111	0.154651	-422.535315	-422.526041	-422.525097	-422.570404	33.221
+C	 1.5837042624	-1.4702526579	-4.7138707548	-0.474924
+C	 0.7811888101	-0.1939970157	-4.6348073638	 0.353516
+O	-0.0183722605	 0.1505638938	-5.4772852535	-0.312102
+C	 1.0153286821	 0.7150641904	-3.4344282779	-0.028784
+O	 2.0385932792	 0.2739059196	-2.5177384688	-0.295086
+C	 2.8080016318	 1.4883770319	-2.6962091398	-0.140111
+C	 1.7980889598	 2.0056089216	-3.7146221554	 0.29139
+C	 1.272722539	 3.3893340119	-3.9222849928	-0.321872
+C	 2.0346548177	 2.6895007991	-5.0255473877	-0.326183
+H	 2.6529185522	-1.2360922552	-4.7544653969	 0.146807
+H	 1.4404656615	-2.0643515159	-3.8053340038	 0.151566
+H	 1.2883052465	-2.0381633447	-5.596700226	 0.135965
+H	 0.051234974	 0.8690952604	-2.9296759587	 0.105277
+H	 2.8796000899	 2.0618194489	-1.7632891155	 0.107656
+H	 3.8182763255	 1.2799185093	-3.0710003891	 0.106047
+H	 0.2011226564	 3.5087976268	-4.0438347051	 0.127764
+H	 1.7601330745	 4.2023119988	-3.3929881496	 0.115235
+H	 1.4724933613	 2.3368088128	-5.8832650728	 0.1435
+H	 3.0430428265	 3.0254077841	-5.2463061877	 0.114339
+19
+0 1139	2.089087	1.4419019	0.9594727	1.7981	76.99	-0.24403	-0.03242	0.21161	1251.1177	0.154548	-422.576496	-422.56686	-422.565916	-422.612225	33.574
+C	 5.5124793045	 0.4367776912	 2.270351205	-0.485575
+C	 5.1573976825	 0.5507603393	 0.8017932507	 0.357418
+O	 5.81281178	 1.2034157143	 0.0197920968	-0.308942
+C	 3.8951982671	-0.1708200896	 0.3654201934	-0.079156
+C	 3.6793357873	-0.4332565761	-1.1450567916	-0.241454
+C	 2.212293527	 0.0581494508	-1.0189348653	-0.253649
+C	 2.6045501452	 0.7097972021	 0.3473439722	-0.076336
+C	 1.6393156013	 0.5864698653	 1.4889234306	 0.134702
+O	 1.8710173556	 0.0115253989	 2.5244448986	-0.246183
+H	 5.9134904892	-0.566656598	 2.4617315771	 0.14494
+H	 6.2651065046	 1.1784966891	 2.5406189121	 0.13731
+H	 4.6172753064	 0.5367511224	 2.8923579365	 0.156382
+H	 3.7162138862	-1.049653229	 0.9906465882	 0.093531
+H	 4.296257847	 0.251423216	-1.7309403325	 0.133367
+H	 3.8341613799	-1.4545037243	-1.4974837976	 0.106913
+H	 1.8301568716	 0.7253852998	-1.79346959	 0.113902
+H	 1.5069176253	-0.7669753157	-0.8845658771	 0.114096
+H	 2.8382665655	 1.7715839253	 0.1993464751	 0.114054
+H	 0.648345054	 1.0645756483	 1.3113989879	 0.084682
+19
+0 1140	3.1486286	1.2129271	1.1425387	2.8036	75.02	-0.23831	-0.01152	0.22679	1154.4608	0.156914	-422.574169	-422.565664	-422.56472	-422.607761	31.618
+C	 1.9588643036	-0.7407104554	 2.0137347502	-0.491189
+C	 3.025315452	-0.2857804671	 1.0334098038	 0.373808
+O	 4.0318979209	 0.2761877133	 1.4016260592	-0.310502
+C	 2.8056074367	-0.5878860308	-0.4501400527	-0.093086
+C	 1.4104293978	-0.2273904017	-1.0319098111	-0.257468
+C	 1.1848984681	-1.2015841269	-2.2139173527	-0.244429
+C	 1.9864275417	-2.4282724248	-1.8322275396	 0.051893
+O	 1.7843802746	-2.8549407652	-0.474541925	-0.255397
+C	 2.9473075579	-2.0726120039	-0.7813912467	 0.02158
+H	 2.3867529034	-0.7859059156	 3.016201997	 0.138298
+H	 1.1389536903	-0.0123551273	 2.0234296529	 0.142574
+H	 1.5327294169	-1.7043171618	 1.7223072826	 0.160026
+H	 3.6010993729	-0.0566817345	-0.9844723373	 0.096076
+H	 0.6386257535	-0.3909844279	-0.2782415879	 0.1237
+H	 1.3569469757	 0.8204753699	-1.3347296559	 0.111737
+H	 0.1253391855	-1.4185559761	-2.379497195	 0.114575
+H	 1.5886570423	-0.7976982456	-3.150268889	 0.110201
+H	 2.1672162204	-3.2288531576	-2.544759968	 0.099912
+H	 3.9007914659	-2.5755680509	-0.6437043746	 0.107689
+19
+0 1141	3.253781	1.2339059	1.1295865	2.8527	74.78	-0.23407	-0.01454	0.21953	1162.2728	0.156513	-422.559548	-422.550908	-422.549964	-422.593492	31.784
+C	 2.0289239543	-0.6563036572	-3.4163135005	-0.480967
+C	 1.3824733242	 0.6410296076	-2.959946594	 0.37439
+O	 1.5378703046	 1.6771489937	-3.5625249982	-0.292685
+C	 0.5164858541	 0.55314547	-1.700449637	-0.132683
+C	 1.3951105714	 0.5532498698	-0.405941546	-0.110651
+O	 1.4671860609	 1.8967892139	 0.0434412061	-0.247141
+C	 0.330451756	 2.5775560365	-0.4230051423	 0.134854
+C	-1.029150241	 1.9749893658	-0.1783859726	-0.365589
+C	-0.3325820786	 1.7981652314	-1.5181133401	-0.056483
+H	 1.2537755953	-1.32798665	-3.8050841581	 0.143407
+H	 2.7541019076	-0.4529596714	-4.2048930256	 0.145112
+H	 2.5133173705	-1.181405711	-2.5866728755	 0.134997
+H	-0.0604726703	-0.3781703446	-1.7395085779	 0.087259
+H	 0.9303238004	-0.087898645	 0.3553230953	 0.10403
+H	 2.4170424494	 0.1957512536	-0.5644882439	 0.115157
+H	 0.4807283494	 3.6494720121	-0.4428280147	 0.107848
+H	-1.1230390994	 1.1278920892	 0.4934191694	 0.114474
+H	-1.8737597703	 2.655145189	-0.1541153659	 0.117426
+H	-0.7215526989	 2.2814427566	-2.4042156685	 0.107245
+19
+0 1142	3.1211329	1.3367585	1.1340267	2.8972	75.12	-0.23084	-0.01451	0.21633	1140.3387	0.15672	-422.565854	-422.557306	-422.556362	-422.59947	31.654
+C	-1.0666850666	-0.7984855136	-2.5770179003	-0.486241
+C	-1.5376645254	-0.1076836746	-1.3103270161	 0.370301
+O	-2.2860127449	 0.8400062942	-1.3236768941	-0.295263
+C	-1.0108189062	-0.6913471524	 0.0120730237	-0.003644
+O	-0.9883150021	 0.2667042905	 1.053870966	-0.256925
+C	-2.2422036736	 0.2404990686	 1.746237003	-0.098616
+C	-2.7375679083	-1.1881759645	 1.6237506988	-0.042078
+C	-1.7226931786	-2.2642317826	 1.9133434427	-0.305367
+C	-1.9435761496	-1.8019425245	 0.495361057	-0.054372
+H	-1.1338388731	-1.8880940037	-2.4862627895	 0.135477
+H	-1.6516172685	-0.4549978811	-3.4309245838	 0.144987
+H	-0.0093615181	-0.56057326	-2.7457975874	 0.148588
+H	 0.0221609684	-1.0353724376	-0.130439838	 0.090012
+H	-2.0417865607	 0.5579187131	 2.7751765161	 0.104577
+H	-2.9533066297	 0.9359338823	 1.2851711326	 0.120669
+H	-3.7946331172	-1.3894183446	 1.7471818068	 0.094054
+H	-0.7990154189	-1.9768961266	 2.4062416334	 0.125055
+H	-2.0933626358	-3.2488007481	 2.1759425006	 0.113851
+H	-2.3969070011	-2.4689244149	-0.2282116014	 0.094935
+19
+0 1143	2.2211918	1.618893	1.0801857	2.5187	77.97	-0.22368	-0.01892	0.20476	1160.9034	0.154727	-422.583651	-422.574113	-422.573168	-422.618629	33.833
+C	-4.0702308459	-1.3417915643	-0.086481513	-0.472748
+C	-3.4912719996	-0.2275560917	 0.7549044303	 0.352417
+O	-3.8426377105	 0.0009409933	 1.889899603	-0.306264
+C	-2.4221110353	 0.6683161638	 0.0996612362	-0.057162
+O	-1.9004693225	 0.0992013708	-1.0921944189	-0.272771
+C	-2.1420088592	 0.9652076909	-2.2045358769	-0.120024
+C	-2.8507822872	 2.150785057	-1.6217741256	-0.208937
+C	-3.0077229797	 2.0106689481	-0.3071779239	 0.304643
+C	-3.6094449569	 2.952173089	 0.6832249871	-0.491494
+H	-4.8290311721	-1.8758497459	 0.4863643978	 0.13492
+H	-4.5097189743	-0.9314186368	-1.0023575703	 0.141527
+H	-3.2756265456	-2.0225772468	-0.405306411	 0.155276
+H	-1.6216175325	 0.7908388869	 0.8463105796	 0.107461
+H	-1.1841053476	 1.233900397	-2.6759109505	 0.110593
+H	-2.7380375406	 0.4353709594	-2.9639521849	 0.105972
+H	-3.1578627771	 3.0049986374	-2.2125968253	 0.104614
+H	-2.8542394419	 3.2942857823	 1.4016604662	 0.13515
+H	-4.0329551602	 3.8293604164	 0.1878463175	 0.122624
+H	-4.3908227213	 2.462412183	 1.2725190527	 0.154203
+19
+0 1144	3.2900074	1.2196965	0.9259856	2.5484	77.27	-0.24328	-0.01348	0.2298	1257.4296	0.155958	-422.579965	-422.571023	-422.570079	-422.614501	32.612
+C	 0.1026476341	 5.7236222542	-0.1715716802	-0.472113
+C	-0.5640241434	 4.4019179477	-0.4779907807	 0.355275
+O	-1.432877501	 4.279481421	-1.3107263248	-0.304003
+C	-0.073186135	 3.1717544733	 0.2935848551	 0.016918
+C	-1.1934026013	 2.1673587265	 0.5828290447	-0.247146
+C	-0.6956505777	 1.1150537888	 1.5368184616	-0.075842
+C	 0.4227327797	 1.2789488671	 2.2389997347	-0.065563
+C	 1.2323515309	 2.5434210934	 2.162850561	-0.11864
+O	 0.559704983	 3.5947257741	 1.4897759035	-0.265511
+H	 1.1892800866	 5.637187008	-0.2751439534	 0.140266
+H	-0.2854846496	 6.4910797179	-0.8419036614	 0.134161
+H	-0.0816999927	 5.9964552725	 0.8719648713	 0.155207
+H	 0.6731285513	 2.6840812519	-0.362715687	 0.093385
+H	-2.065329279	 2.6899419075	 0.9981828944	 0.119864
+H	-1.5309025702	 1.7227489878	-0.3583067201	 0.126811
+H	-1.2785374271	 0.2030328175	 1.6324087116	 0.094028
+H	 0.7967844826	 0.5028801597	 2.9011932907	 0.093912
+H	 1.4501521751	 2.9225427939	 3.1683673	 0.120125
+H	 2.2074595737	 2.3426956171	 1.6813175087	 0.098867
+19
+0 1145	2.5287547	1.3924233	1.0267154	2.5087	76.64	-0.24582	-0.03259	0.21323	1203.2563	0.156083	-422.614581	-422.605594	-422.60465	-422.648834	32.821
+C	-0.5535812793	 3.0863488547	-1.3175829843	-0.487444
+C	-0.8586259921	 2.5348577698	 0.0550432406	 0.37861
+O	-0.642080709	 3.1448827575	 1.0760244176	-0.296
+C	-1.4393170321	 1.114194241	 0.0881323893	-0.199012
+C	-2.0564882266	 0.6927054489	 1.4276317998	-0.234341
+C	-1.7586933066	-0.8165571984	 1.5586965838	-0.226209
+C	-0.3685182798	-0.9757696896	 0.9300377993	-0.302849
+C	-0.3264040128	 0.0628766024	-0.1871061204	 0.392305
+O	 0.4241331625	 0.0713406007	-1.1281141891	-0.31202
+H	 0.0598495015	 2.3645129199	-1.867384041	 0.17285
+H	-1.4856450827	 3.210399561	-1.8818276211	 0.135989
+H	-0.0458154377	 4.047772452	-1.2339406186	 0.137962
+H	-2.1444080137	 1.0128879193	-0.7471654388	 0.111305
+H	-1.5597150439	 1.2568269831	 2.2229454773	 0.134299
+H	-3.123865451	 0.9174545334	 1.4867453015	 0.106274
+H	-1.8011982886	-1.1616270413	 2.5943126677	 0.110042
+H	-2.4920241111	-1.4007360146	 0.99056056	 0.106896
+H	 0.4173079248	-0.7008257965	 1.6477125226	 0.141218
+H	-0.1262058218	-1.9695293134	 0.5479266836	 0.130125
+19
+0 1146	2.9669505	1.2248342	1.1710559	3.0925	77.61	-0.23241	-0.01609	0.21632	1149.3519	0.156736	-422.577274	-422.568456	-422.567511	-422.611349	32.265
+C	-0.4449726483	-1.5414545734	-4.2932453466	-0.484659
+C	 0.044372935	-1.4959030903	-2.8604752758	 0.375414
+O	-0.245923368	-2.3464833327	-2.0510165671	-0.308544
+C	 0.9208428221	-0.2975366597	-2.443354048	-0.123846
+C	 0.1030604159	 1.0120528035	-2.3866948279	-0.1199
+O	-0.0850798867	 1.5816129181	-3.6700015809	-0.241679
+C	 1.1310133103	 1.9866020373	-4.2718425724	-0.120921
+C	 2.2257630605	 0.9654946216	-4.1410259026	-0.070509
+C	 2.1238270856	-0.0845554923	-3.3287332663	-0.09429
+H	-0.87769373	-0.578051663	-4.5793731409	 0.157288
+H	 0.4032018216	-1.711636598	-4.9657136417	 0.141295
+H	-1.1697477605	-2.3481241257	-4.4081032301	 0.134369
+H	 1.2473146546	-0.5369202956	-1.4251118656	 0.099607
+H	-0.8959157352	 0.8424260604	-1.9756338837	 0.122501
+H	 0.6274168573	 1.7211742887	-1.7271044016	 0.103222
+H	 0.899750436	 2.1699581653	-5.3275586536	 0.122553
+H	 1.466244852	 2.9512113945	-3.8482176564	 0.106093
+H	 3.1187815254	 1.1317224997	-4.7376308906	 0.099968
+H	 2.9246920625	-0.8163254884	-3.2666177785	 0.102037
+19
+0 1147	3.1593071	1.2054678	1.0098981	2.9186	78.08	-0.2364	-0.01669	0.21971	1226.0865	0.156263	-422.580068	-422.571184	-422.57024	-422.614661	32.479
+C	-2.2787101806	 5.4440730641	-1.2659515214	-0.468274
+C	-1.4574247373	 4.5234203131	-2.1358340608	 0.349133
+O	-0.7892373626	 4.9048865891	-3.0674833335	-0.307709
+C	-1.5003823092	 3.0146817539	-1.8192749985	-0.004661
+O	-2.1355242584	 2.8103838282	-0.5733792905	-0.269805
+C	-2.5183107739	 1.4597234853	-0.350124611	-0.076697
+C	-3.5779678574	 1.0134845861	-1.3579645686	-0.255423
+C	-3.1485789148	 1.4024726236	-2.7482480079	-0.075033
+C	-2.1807094695	 2.291253189	-2.9569077002	-0.071601
+H	-1.9510671146	 5.366565113	-0.2247486714	 0.152739
+H	-2.1796099712	 6.4689135186	-1.6249210858	 0.133739
+H	-3.3277973934	 5.1313587619	-1.2777480178	 0.14584
+H	-0.4434022239	 2.6949816431	-1.7690263715	 0.103461
+H	-1.6370871048	 0.8025435045	-0.4200916041	 0.096735
+H	-2.8913842862	 1.4178903201	 0.676528992	 0.109143
+H	-3.7181049754	-0.072675552	-1.2891621509	 0.10799
+H	-4.5496754586	 1.464665931	-1.1150228217	 0.116887
+H	-3.6403870328	 0.9221889825	-3.5897764556	 0.096308
+H	-1.8336170957	 2.5558176348	-3.9502117108	 0.117226
+19
+0 1148	2.9639391	1.0179644	0.8958961	0.6227	78.23	-0.24604	-0.03977	0.20627	1375.4447	0.154364	-422.582217	-422.572308	-422.571364	-422.619007	34.406
+C	-0.4754497958	-0.5457661515	 1.1418689788	-0.474014
+C	-0.3270444178	 0.7192208378	 0.3243871733	 0.375191
+O	-1.2655635772	 1.402361388	-0.0120922937	-0.296559
+C	 1.1030503331	 1.0715614494	-0.1039410432	-0.388554
+C	 1.3828177123	 0.4494759296	-1.4798872031	 0.368134
+O	 2.1064597783	-0.5173191877	-1.5919418168	-0.331285
+C	 0.706133689	 1.0919834624	-2.6370921883	-0.093048
+C	 1.5143534647	 1.2157055984	-3.9265142963	-0.25458
+C	 0.4104204462	 0.2215096546	-3.8492798624	-0.250845
+H	-0.0200780878	-0.4014048133	 2.1288419033	 0.146081
+H	-1.5295444453	-0.7984511466	 1.2602795013	 0.143899
+H	 0.0665583197	-1.3691189953	 0.6633283975	 0.15704
+H	 1.173752573	 2.1602559886	-0.1716776973	 0.136341
+H	 1.8402689893	 0.6770232435	 0.5971465224	 0.125265
+H	 0.0057926413	 1.8830085411	-2.4000884752	 0.114032
+H	 1.373242209	 2.1198766426	-4.5071226852	 0.122842
+H	 2.5305004646	 0.8409977379	-3.8812565672	 0.137635
+H	-0.5147633142	 0.420320799	-4.377257355	 0.123624
+H	 0.6848704775	-0.8225531585	-3.7529980129	 0.138802
+19
+0 1149	2.1640046	1.257832	1.0854173	2.9936	77.48	-0.23616	-0.00805	0.22811	1242.8661	0.151598	-422.547996	-422.537089	-422.536145	-422.584577	38.907
+C	 0.7905695263	 3.6324734325	-4.7436416729	-0.472976
+C	 1.0550074708	 3.7772106544	-3.2599305359	 0.377708
+O	 0.8709133026	 4.8162142377	-2.6691402256	-0.300109
+C	 1.6021808553	 2.5547952424	-2.5157715379	-0.28782
+C	 0.5819687066	 1.4119943511	-2.280854567	 0.137341
+C	 1.1833163903	 0.366432948	-1.3233927045	-0.403075
+O	 0.3519138587	 0.8118081629	-3.5638791321	-0.437614
+C	-0.6810615618	 1.925493042	-1.7309122185	 0.347795
+C	-1.7320411429	 2.3045156569	-1.2880156436	-0.496223
+H	 0.12773098	 2.7825008399	-4.92450057	 0.156737
+H	 0.3633011438	 4.5565239683	-5.1345744558	 0.131754
+H	 1.7287183147	 3.4100704557	-5.2663576994	 0.132618
+H	 2.4367530247	 2.1149991494	-3.0739472771	 0.118217
+H	 1.9634354424	 2.9079548579	-1.5480953526	 0.124993
+H	 1.3818472855	 0.8013870844	-0.3404215153	 0.132263
+H	 0.4873888132	-0.4677222399	-1.1926493688	 0.117984
+H	 2.1165602037	-0.017977641	-1.7438977872	 0.125951
+H	-0.4084879201	 0.2260695028	-3.4789350264	 0.286955
+H	-2.6534629536	 2.6638079647	-0.8999211595	 0.207501
+19
+0 1150	2.762539	1.1241923	0.9745701	1.4033	78.42	-0.26536	0.01206	0.27742	1275.304	0.151789	-422.564184	-422.553401	-422.552457	-422.600032	38.388
+C	 1.0452862849	 3.5163766022	 0.0071683319	-0.470905
+C	 2.2059317707	 2.564110611	-0.1726742597	 0.441192
+O	 3.3486689644	 2.8061484941	 0.1280808127	-0.359037
+O	 1.7670167903	 1.4106052226	-0.7178206115	-0.289748
+C	 2.6945725423	 0.30795303	-1.0000115712	 0.17554
+C	 3.3315428567	-0.2076026982	 0.3012399252	-0.421691
+C	 3.7460830132	 0.7392338541	-2.0359201442	-0.421692
+C	 1.832695697	-0.7313035912	-1.5739089121	 0.343476
+C	 1.1670690034	-1.6109882671	-2.0483542219	-0.466124
+H	 1.4054224195	 4.445162285	 0.4479229777	 0.146396
+H	 0.5726206372	 3.7173646121	-0.9582143995	 0.150858
+H	 0.2862469331	 3.0643881238	 0.6516261797	 0.150849
+H	 3.9089224257	-1.1103354696	 0.0857269537	 0.127802
+H	 3.9885337231	 0.5505988699	 0.7262340452	 0.154111
+H	 2.5522686085	-0.4637334438	 1.0231757864	 0.128453
+H	 4.4034591972	 1.4983170146	-1.6131007727	 0.154111
+H	 4.3376450381	-0.1311078957	-2.3313842464	 0.127803
+H	 3.2528109443	 1.1363476688	-2.9264514907	 0.128452
+H	 0.5705808205	-2.3836265925	-2.4671688427	 0.200156
+19
+0 1151	2.900847	1.102492	0.9221555	4.9715	76.94	-0.24461	-0.02209	0.22252	1323.4363	0.153514	-422.576837	-422.566931	-422.565987	-422.612502	34.915
+C	 0.747804534	 4.8288178456	 0.5160469323	-0.476547
+C	 0.9440573205	 3.3895560712	 0.9507931698	 0.392405
+O	 0.4244225253	 2.9397808327	 1.9460699813	-0.285354
+C	 1.8251947448	 2.5209398178	 0.0517422299	-0.44108
+C	 2.229445968	 1.2150183678	 0.6972219755	 0.29115
+C	 3.5356085315	 0.543748673	 0.2720628108	-0.309343
+C	 3.4350618134	 1.175012625	 1.619130864	-0.275609
+C	 1.1257678795	 0.2685506642	 1.0397092309	 0.117723
+O	 1.2822838922	-0.7535220988	 1.6638842009	-0.282824
+H	 1.6919645771	 5.3767460019	 0.6199893009	 0.144429
+H	 0.4649001074	 4.8833352723	-0.5407801719	 0.137992
+H	-0.0144171151	 5.305102799	 1.1335145684	 0.148004
+H	 1.2596266033	 2.3444942168	-0.8765703116	 0.131462
+H	 2.7056301184	 3.0967673476	-0.2569550885	 0.119092
+H	 3.5179279834	-0.538810967	 0.2206220336	 0.140125
+H	 4.1153498867	 1.0375136959	-0.5005026058	 0.11534
+H	 3.3453151517	 0.51852745	 2.476484103	 0.145893
+H	 3.9508075268	 2.1123850221	 1.7967926706	 0.113354
+H	 0.1262029812	 0.5513786729	 0.6467746657	 0.07379
+19
+0 1152	3.3769474	1.1356267	1.068764	2.3614	76.3	-0.24029	-0.01246	0.22783	1206.5171	0.155001	-422.514552	-422.505759	-422.504815	-422.549047	32.457
+C	 2.3602948839	 2.9554499053	-2.0130741939	-0.484165
+C	 2.2829723038	 1.9779684354	-0.8604113406	 0.383085
+O	 3.1994153682	 1.2539711275	-0.5490965752	-0.302374
+C	 0.9761890176	 1.9745047032	-0.0582370806	-0.424632
+C	 0.9571857918	 3.086540793	 0.9588411372	 0.419475
+C	-0.1646163833	 3.5082522347	 1.9467099392	-0.265256
+C	 0.9426485537	 4.5864166132	 1.9425746007	 0.050026
+C	 2.0203073466	 3.4835152646	 2.0200250156	-0.247753
+O	 0.9860714828	 4.4947445936	 0.4623662097	-0.342999
+H	 3.3459095317	 2.9102688495	-2.4776614262	 0.136164
+H	 1.5888519538	 2.7247358586	-2.7570762302	 0.134679
+H	 2.1538883281	 3.9650629454	-1.6415037002	 0.172421
+H	 0.1092579061	 2.090066687	-0.7184389272	 0.117356
+H	 0.9033626144	 1.0178406118	 0.4665300343	 0.129948
+H	-1.103863306	 3.805111812	 1.4782446995	 0.107827
+H	-0.3026683692	 2.9109538561	 2.8513989525	 0.099317
+H	 0.9379266539	 5.5843862578	 2.378642824	 0.100263
+H	 2.9981029696	 3.7547805001	 1.6213822239	 0.115504
+H	 2.0817117127	 2.882620431	 2.9303765176	 0.101114
+19
+0 1153	3.9778176	1.1197941	1.0249161	1.5652	76.57	-0.26622	0.01365	0.27987	1231.9071	0.156382	-422.550339	-422.541788	-422.540843	-422.584352	31.575
+C	-0.3117659948	-1.8998513125	 2.8487666536	-0.484291
+C	-1.1503344871	-1.7128249883	 1.6076717047	 0.394171
+O	-1.6867831057	-2.5908837056	 0.9837113773	-0.34348
+O	-1.2206651822	-0.397112972	 1.2820342459	-0.299396
+C	-1.9699804944	-0.0509732467	 0.1420882544	 0.466674
+C	-3.4893215101	-0.2507510335	-0.1055668764	-0.267958
+C	-2.9237430246	 0.5265995369	-1.332192044	-0.060727
+C	-2.1211583097	 1.4088546786	-0.3256377067	-0.278654
+C	-1.717981564	-0.4607566093	-1.3337947027	-0.267941
+H	-0.2642922647	-2.958987964	 3.0986078402	 0.147561
+H	 0.6959148971	-1.5086396848	 2.6822003827	 0.150471
+H	-0.744321797	-1.3375005216	 3.6811478752	 0.150461
+H	-3.8218761917	-1.2744830122	-0.2764136302	 0.116112
+H	-4.1652028647	 0.3031204619	 0.5512802714	 0.091752
+H	-3.4824235646	 0.873515257	-2.197229392	 0.086536
+H	-1.2210605363	 1.8961423937	-0.7087537982	 0.095423
+H	-2.7034104405	 2.0719463343	 0.3191025214	 0.095418
+H	-1.9264775598	-1.499193638	-1.5906477385	 0.116119
+H	-0.7923570452	-0.096754524	-1.787405118	 0.09175
+19
+0 1154	3.409461	1.1228061	0.9635292	2.8583	76.46	-0.23258	-0.00981	0.22277000000000002	1260.4553	0.154884	-422.531918	-422.522796	-422.521852	-422.567003	32.955
+C	 6.5344555281	 1.7106285744	-1.6906624529	-0.481814
+C	 5.3008731142	 2.5420274203	-1.4054646786	 0.381906
+O	 5.2833728446	 3.7458655749	-1.5080120431	-0.297893
+C	 4.0407079187	 1.7678185646	-0.9926936213	-0.397832
+C	 3.4156410874	 1.0804371177	-2.1734928693	 0.47207
+C	 2.5857154206	 1.7156853421	-3.2456659476	-0.321279
+C	 2.0398099307	 0.5243804744	-2.4783002342	-0.196932
+C	 2.7848234761	-0.7262422754	-2.9245195805	-0.087249
+O	 4.0729443989	-0.089548452	-2.6926632635	-0.32254
+H	 6.873486134	 1.2273578306	-0.7661984101	 0.136538
+H	 6.2928561968	 0.9063765514	-2.3932070183	 0.169614
+H	 7.3307601384	 2.3441666733	-2.0829458564	 0.135973
+H	 4.2849935646	 1.0185433071	-0.2304416777	 0.114425
+H	 3.332300604	 2.4883028343	-0.5767308747	 0.125965
+H	 2.1352934123	 2.6679153103	-2.9845144924	 0.126927
+H	 2.8801957135	 1.6136523935	-4.2868165683	 0.11666
+H	 1.1226548374	 0.5535908006	-1.9059278183	 0.104942
+H	 2.6570726441	-1.5835411927	-2.2544953265	 0.111866
+H	 2.6633521055	-1.0471600794	-3.9657633766	 0.108653
+19
+0 1155	3.9884363	0.9697109	0.8985544	3.6971	75.64	-0.22888	-0.01605	0.21283	1348.8724	0.154593	-422.528348	-422.519163	-422.518219	-422.563456	33.023
+C	 5.4925143728	 3.0582657111	-1.6473224042	-0.476537
+C	 4.0837668088	 3.6167648458	-1.5757105029	 0.394258
+O	 3.8297202876	 4.6540895185	-1.0084135176	-0.288249
+C	 2.9886342789	 2.7818230841	-2.2426969722	-0.461489
+C	 1.7048963547	 3.5345867292	-2.4184008278	 0.333778
+C	 1.3103215601	 4.2814002013	-3.6794498539	-0.339533
+C	 0.4125517744	 3.2120111413	-3.1334246713	 0.029196
+O	-0.3999880899	 3.7222934891	-2.0766042269	-0.289376
+C	 0.7924808351	 4.0041293458	-1.2879495051	-0.121631
+H	 6.1577350819	 3.638343349	-1.0067852199	 0.145268
+H	 5.5117086797	 2.0032596127	-1.3531670166	 0.136471
+H	 5.8544376518	 3.1056034374	-2.6813827614	 0.143643
+H	 3.3579400859	 2.3926509032	-3.19955265	 0.11673
+H	 2.8421922457	 1.8953920615	-1.6051434212	 0.129265
+H	 0.9924223012	 5.3197585349	-3.6387385219	 0.118878
+H	 1.8802830956	 4.007039604	-4.5629632709	 0.10698
+H	 0.0600907528	 2.340347293	-3.6742295602	 0.101517
+H	 0.8639794769	 5.0524428774	-0.983947031	 0.119595
+H	 0.8253939458	 3.3569320008	-0.403442275	 0.101235
+19
+0 1156	3.4681972	1.093074	0.9625727	2.4938	76.11	-0.23851	-0.01372	0.22479	1274.2733	0.15474	-422.540863	-422.531708	-422.530764	-422.575973	33.059
+C	 3.2983373737	-2.9416086712	-0.3441443972	-0.481802
+C	 2.9747381433	-2.0824174731	 0.8603928307	 0.382333
+O	 3.8233789052	-1.6142670669	 1.5820112599	-0.299017
+C	 1.4859872734	-1.7986186267	 1.1056016292	-0.408542
+C	 1.0271742797	-0.6569714742	 0.2434030125	 0.421882
+C	 1.3775821754	 0.8380245619	 0.3648462345	-0.280202
+C	 0.0031076045	 1.1662612097	-0.3191564189	-0.239023
+C	-0.2587114356	-0.3427451972	-0.4079556468	-0.049093
+O	 0.8255345281	-0.9119194961	-1.1587555251	-0.288796
+H	 2.9409519934	-3.9639673465	-0.1697119766	 0.138493
+H	 2.7685671878	-2.5690252625	-1.2267650311	 0.167094
+H	 4.3750935083	-2.9591008029	-0.5160394336	 0.138386
+H	 0.8815248625	-2.6814133802	 0.873196947	 0.11527
+H	 1.3629894117	-1.5374898787	 2.160332464	 0.124809
+H	 1.426211068	 1.1848452355	 1.3992781389	 0.115262
+H	 2.2822580469	 1.1442398033	-0.1642695971	 0.115983
+H	-0.6861044823	 1.6846890183	 0.3512613541	 0.10901
+H	 0.039336279	 1.6839122375	-1.2802307539	 0.114891
+H	-1.199711093	-0.8818815499	-0.4208684504	 0.103065
+19
+0 1157	3.9197704	1.0472103	1.0090946	1.8321	76.36	-0.25354	0.01483	0.26837	1274.6742	0.155537	-422.559902	-422.550869	-422.549925	-422.594644	32.654
+C	-0.1934768538	 2.4172622993	-0.7876516058	-0.484264
+C	 0.5331487486	 1.108628534	-0.5958269071	 0.395621
+O	 0.0352129332	 0.0144189503	-0.6057164167	-0.341545
+O	 1.8629848237	 1.3299454417	-0.41292285	-0.288252
+C	 2.6476934345	 0.1850143699	-0.2062948659	 0.498903
+C	 2.8516048996	-0.3851728166	 1.1586313909	-0.319116
+C	 4.0431202814	 0.1462612299	 0.3850544018	-0.15005
+C	 4.4638172384	-0.8808024958	-0.6767230284	-0.222217
+C	 3.0285896754	-0.8024812746	-1.3049035957	-0.290331
+H	-1.2539916505	 2.2242297247	-0.9438072727	 0.148298
+H	-0.0545157889	 3.0548775931	 0.0901647125	 0.149502
+H	 0.2201234276	 2.9536969079	-1.6462619053	 0.150441
+H	 2.516805987	 0.2594685821	 1.9648098822	 0.115682
+H	 2.7311701167	-1.4499334296	 1.3460090679	 0.111173
+H	 4.6530817166	 0.9533657637	 0.7708294721	 0.095607
+H	 5.2364664301	-0.5143916534	-1.3553886353	 0.106989
+H	 4.7690780142	-1.8574317843	-0.2887059779	 0.101558
+H	 3.0445920849	-0.3340461486	-2.2915140706	 0.108566
+H	 2.4349138415	-1.7183121837	-1.3516687059	 0.113436
+19
+0 1158	3.5494054	0.9286474	0.8519356	1.1382	78.76	-0.23178	-0.01726	0.21452000000000002	1399.0359	0.155176	-422.574273	-422.564734	-422.56379	-422.610658	32.949
+C	-3.6340444425	 0.4511713376	 0.8229400652	-0.478992
+C	-2.9139758502	 1.3867960426	-0.1302805495	 0.395032
+O	-3.4908524424	 1.966632944	-1.018207719	-0.29103
+C	-1.3995146823	 1.568396679	 0.0717821553	-0.407476
+C	-1.0271878823	 2.0380908129	 1.4513917271	 0.278903
+C	-1.0369490653	 3.281101684	 1.9290100797	-0.198109
+C	-0.5805182728	 3.2917231971	 3.3586845452	-0.101696
+O	-0.3403165922	 1.9231861128	 3.6844373822	-0.262635
+C	-0.5477545335	 1.1081696035	 2.5403648432	-0.153335
+H	-3.1529899571	-0.5330606632	 0.8379590695	 0.135449
+H	-3.5874638307	 0.8469043221	 1.8431049421	 0.153236
+H	-4.6765531928	 0.3498587331	 0.5198239859	 0.144237
+H	-0.9143652488	 0.6051327226	-0.1369140893	 0.119472
+H	-1.0703464616	 2.2796052737	-0.6888183661	 0.135362
+H	-1.3110015813	 4.1779059705	 1.3869635558	 0.111235
+H	 0.340001537	 3.8815625462	 3.4992775877	 0.106695
+H	-1.3352934694	 3.7063941641	 4.044968657	 0.108555
+H	 0.3903172353	 0.6034387778	 2.2505157167	 0.102792
+H	-1.274058667	 0.3145355497	 2.7781534013	 0.102303
+19
+0 1159	4.3003684	0.9486747	0.8843921	2.2765	76.21	-0.23903	-0.00992	0.22910999999999998	1367.7214	0.154921	-422.508208	-422.499386	-422.498442	-422.542847	32.139
+C	 4.0675492006	 1.9139489911	-1.8570315201	-0.474013
+C	 3.577832065	 0.4866158021	-1.6910385457	 0.384224
+O	 4.1160961817	-0.4437803388	-2.2485846264	-0.298417
+C	 2.3644450698	 0.2909999463	-0.7909029296	-0.356496
+C	 2.0597787809	-1.167135482	-0.5137714515	 0.046824
+C	 0.6277937512	-1.5533272497	-0.0467176566	 0.022168
+C	 0.864098843	-2.997155048	-0.5460721423	-0.224757
+C	 1.3528581049	-1.9979033832	-1.6191749346	 0.060096
+O	 0.1130075212	-1.2060598646	-1.3939129498	-0.32044
+H	 3.2451967209	 2.5739193716	-2.1538796787	 0.138583
+H	 4.4474790118	 2.2918709351	-0.9006032406	 0.139445
+H	 4.8630496498	 1.9507505846	-2.6021622029	 0.142162
+H	 2.5204091202	 0.8510470132	 0.1410324854	 0.110902
+H	 1.4980024617	 0.7535463742	-1.2805719757	 0.14535
+H	 2.881102829	-1.6785990791	-0.0047701137	 0.079698
+H	 0.0569407746	-1.1988036993	 0.8128551861	 0.091049
+H	 1.6092094433	-3.6091040549	-0.031669727	 0.098239
+H	-0.0410521989	-3.545993553	-0.8061678084	 0.109045
+H	 1.661556919	-2.1715099657	-2.6485864476	 0.106337
+19
+0 1160	4.0130832	1.0402913	0.9430864	4.0824	76.99	-0.26285	0.01562	0.27847	1286.0844	0.156653	-422.536179	-422.527802	-422.526858	-422.569992	31.195
+C	-2.4704392395	 0.5981099066	-2.3231669859	-0.524569
+C	-2.2743504522	 0.6799509773	-0.8219700162	 0.405486
+O	-3.1665324983	 0.558481981	-0.0288526965	-0.310254
+O	-1.0122988369	 0.8898924083	-0.3588963494	-0.248622
+C	 0.0891493903	 1.0689854864	-1.2357091936	 0.190885
+C	 1.4211469254	 1.409225282	-0.5298447009	-0.082768
+C	 1.8920478887	 1.9505073075	-1.9119772541	-0.225321
+C	 0.4498564481	 2.5029715332	-1.7280490871	-0.091069
+C	 0.8438845838	 2.8319697058	-0.2550089879	-0.222418
+H	-1.9703460473	-0.2858001398	-2.7322844413	 0.150378
+H	-3.5389967937	 0.5228713354	-2.5190872363	 0.152457
+H	-2.0601627558	 1.4734293342	-2.8335494344	 0.148078
+H	 0.1283512113	 0.2690972307	-1.980541252	 0.080979
+H	 1.9731165405	 0.7672834634	 0.1561924825	 0.083596
+H	 2.6913932126	 2.6928451077	-1.883671642	 0.104667
+H	 2.0514223961	 1.2183316405	-2.7090528316	 0.093871
+H	-0.110911436	 3.1275245403	-2.4248266211	 0.076456
+H	 1.578290045	 3.6302435552	-0.1249190694	 0.09461
+H	 0.0339830581	 2.8999716943	 0.4699001073	 0.123559
+19
+0 1161	3.9729949	0.8595978	0.8345382	2.904	75.98	-0.23393	-0.01251	0.22142	1441.5754	0.154939	-422.52451	-422.515321	-422.514376	-422.560513	32.626
+C	 7.0549754903	 0.6770133062	-3.3260938116	-0.47959
+C	 6.2523919828	 1.9275461425	-3.6391820415	 0.393641
+O	 6.6971814927	 2.8156513337	-4.3284052634	-0.295751
+C	 4.8472497442	 2.0220398077	-3.0406413922	-0.337656
+C	 3.9452194205	 0.8595434921	-3.4197077308	-0.056438
+C	 2.4636490312	 1.1679964279	-3.5524490368	-0.147313
+C	 1.7205810749	-0.1021952831	-3.9489422118	-0.097011
+O	 2.6367227893	-0.3415416058	-5.054257599	-0.28871
+C	 3.3057066849	 0.8894764877	-4.7772533811	 0.10513
+H	 7.0607401597	 0.4729845174	-2.2497282021	 0.132595
+H	 6.5978808977	-0.1916653604	-3.8131428233	 0.153284
+H	 8.07590102	 0.7955432813	-3.6903339352	 0.142922
+H	 4.9360415637	 2.0724661794	-1.946539137	 0.118564
+H	 4.4216556723	 2.9709262265	-3.3801036903	 0.120353
+H	 4.2319378704	-0.1162939086	-3.0315108356	 0.092764
+H	 2.0206954901	 2.0858199398	-3.1899067834	 0.103661
+H	 1.7047615291	-0.9320650597	-3.2322801713	 0.106296
+H	 0.7085295771	 0.0817520031	-4.3264923362	 0.113721
+H	 3.6270234391	 1.5024410023	-5.6119701577	 0.119539
+19
+0 1162	4.7912918	0.8951126	0.8229835	1.9325	76.94	-0.25865	0.01619	0.27484	1465.4111	0.155574	-422.555396	-422.546297	-422.545353	-422.590817	32.36
+C	-0.7938252801	 2.173942102	-0.4246699894	-0.48047
+C	 0.2541125711	 1.0892552479	-0.4866691503	 0.419733
+O	 0.043356353	-0.0940816489	-0.5309368075	-0.343513
+O	 1.4965589304	 1.6353359494	-0.4691106959	-0.259892
+C	 2.5757328145	 0.718669371	-0.5118943104	 0.141317
+C	 3.881359522	 1.3935934908	-0.7782801963	-0.096023
+C	 5.0186058688	 0.3728203872	-0.6688560126	-0.237701
+C	 4.3226282991	-0.5020539136	-1.7682691699	-0.235535
+C	 3.2003515548	 0.5355579264	-1.8622770164	-0.074145
+H	-0.6874404746	 2.7432375309	 0.5032757474	 0.151062
+H	-0.6600740545	 2.8755716583	-1.2527055759	 0.148422
+H	-1.7844254685	 1.7235708011	-0.4714411374	 0.148262
+H	 2.4664212415	-0.1076460777	 0.1860867946	 0.108318
+H	 3.9654854915	 2.4708003672	-0.703314651	 0.094491
+H	 5.9781347097	 0.769897089	-1.0058078872	 0.109283
+H	 5.1581937037	-0.0872284513	 0.3150711184	 0.099861
+H	 4.9198504331	-0.571146021	-2.6795960116	 0.109291
+H	 4.0149628875	-1.5112201535	-1.4755119191	 0.105226
+H	 2.673843127	 0.8464787048	-2.7560903595	 0.092013
+19
+0 1163	4.2169338	0.8112855	0.7394037	4.2052	76.67	-0.24312	-0.02456	0.21856	1532.9185	0.153733	-422.583126	-422.573376	-422.572432	-422.619881	34.202
+C	-5.2447092959	 1.1532706403	-0.7835004172	-0.476328
+C	-3.8297225726	 1.2299541831	-1.3237819096	 0.388463
+O	-3.3701855819	 2.249887442	-1.7858321802	-0.300057
+C	-2.9833311388	-0.0371672703	-1.2302927343	-0.310139
+C	-2.1127940095	-0.0211378759	 0.0338949876	 0.01802
+C	-1.0059280755	-1.1216575224	 0.1205957555	-0.371758
+C	 0.0219721398	-0.0006061058	 0.3610133418	 0.408079
+O	 1.1773941363	 0.0049438917	 0.669468946	-0.286481
+C	-1.0227758846	 1.0969174651	 0.1166832294	-0.355757
+H	-5.2523483028	 0.7326422511	 0.2286556608	 0.137638
+H	-5.7021846817	 2.1431037764	-0.7807576108	 0.145088
+H	-5.8402364212	 0.476674211	-1.4082231793	 0.144312
+H	-3.6163440626	-0.9316854214	-1.229712912	 0.10496
+H	-2.3369528648	-0.069887283	-2.1137506672	 0.121448
+H	-2.7461856613	-0.0278521991	 0.9257134712	 0.084223
+H	-1.0904423628	-1.8611739796	 0.921347319	 0.131119
+H	-0.8310419982	-1.6522628732	-0.8220492161	 0.131223
+H	-1.1185681557	 1.8373747272	 0.915133424	 0.132361
+H	-0.875728676	 1.6346110427	-0.8253365086	 0.153587
+19
+0 1164	2.7528931	0.9366868	0.8701297	2.4122	77.34	-0.24574	-0.02521	0.22052999999999998	1422.9085	0.153922	-422.575285	-422.565253	-422.564309	-422.612154	34.472
+C	-2.2480135519	-2.4925970609	-2.2874824057	-0.478472
+C	-1.4060342575	-1.2426627392	-2.4535538859	 0.392795
+O	-1.3273610578	-0.6489684299	-3.5041428845	-0.300627
+C	-0.6728478365	-0.7343869342	-1.2106606592	-0.32459
+C	-1.5720860199	 0.1774665173	-0.3914016882	 0.007253
+C	-1.0271450855	 1.3704521658	 0.3106404895	-0.293289
+C	-1.8906605079	 1.5729314113	-0.9305877842	-0.101438
+C	-3.2698719333	 2.0757600116	-0.7314172476	 0.131223
+O	-3.9422024035	 1.8361019289	 0.2460554109	-0.273263
+H	-2.9213075786	-2.3962149662	-1.42840096	 0.143488
+H	-2.823826151	-2.6826140466	-3.1937509502	 0.145167
+H	-1.5961923304	-3.3501945357	-2.0817763227	 0.143116
+H	-0.3381613162	-1.570966243	-0.5859469253	 0.111272
+H	 0.2070122252	-0.1809521033	-1.5506694886	 0.120928
+H	-2.4198150877	-0.297819233	 0.0943247467	 0.115706
+H	-1.4871276681	 1.6557938343	 1.2499739973	 0.141602
+H	 0.0293786136	 1.5947444471	 0.2131589246	 0.122691
+H	-1.399953847	 1.8628661084	-1.8526420982	 0.113146
+H	-3.6704821659	 2.7013799274	-1.5581454486	 0.083292
+19
+0 1165	4.1837597	0.9029341	0.8322489	2.1049	75.52	-0.24433	-0.01627	0.22805999999999998	1405.2108	0.154982	-422.534129	-422.525074	-422.52413	-422.568979	32.597
+C	-1.7904340341	-2.9936897737	 1.174784072	-0.476103
+C	-0.5274730864	-2.3340788041	 1.6961066209	 0.390761
+O	 0.042703945	-2.7300526224	 2.6876146839	-0.300221
+C	 0.0156006471	-1.156134128	 0.8929739533	-0.320669
+C	 1.0105978886	-1.6315411656	-0.1765457077	-0.017878
+C	 2.3498026948	-2.226932676	 0.4000991657	-0.267412
+C	 3.0952710669	-1.0550106248	-0.2493602446	 0.033597
+O	 2.8158300473	-1.1015876948	-1.6561464139	-0.249133
+C	 1.8494669136	-0.4959264935	-0.797918879	 0.019249
+H	-1.9990380965	-3.9040640526	 1.7376020707	 0.143903
+H	-2.6343791461	-2.3007390268	 1.276745317	 0.142838
+H	-1.699819673	-3.2235133981	 0.10727053	 0.140185
+H	-0.8023442841	-0.608477441	 0.4098464406	 0.103511
+H	 0.5218967959	-0.4807264871	 1.5903329471	 0.120956
+H	 0.5125564473	-2.2537416665	-0.9265064974	 0.085193
+H	 2.3594452811	-2.2133226872	 1.4916480769	 0.133406
+H	 2.6445212527	-3.2162196676	 0.0431699363	 0.111546
+H	 4.0168415624	-0.5712506016	 0.0523055641	 0.105233
+H	 1.5520589276	 0.5244943813	-1.0156657959	 0.101037
+19
+0 1166	4.180789	0.9568315	0.8744578	3.4672	76.3	-0.23847	-0.01021	0.22826	1361.0598	0.155111	-422.530719	-422.521775	-422.520831	-422.565271	32.582
+C	 0.3533906505	-3.8718039812	-2.9861226956	-0.481991
+C	 0.0047054626	-2.4071876867	-2.8355426015	 0.383849
+O	-1.1206734351	-1.9820058463	-2.9595515707	-0.305527
+C	 1.1551316308	-1.4708211833	-2.4590839921	-0.305968
+C	 1.2417377599	-1.3176211317	-0.9416921557	 0.131845
+O	 1.6467242478	-2.5693534381	-0.2998964895	-0.30241
+C	 2.873428151	-1.9666160613	 0.1246463013	 0.109072
+C	 2.6109301441	-0.8383871512	 1.0691274845	-0.305963
+C	 2.4950319202	-0.6128446508	-0.4254963321	-0.136825
+H	 1.0521623427	-4.0070882001	-3.82046309	 0.133535
+H	 0.8690514494	-4.2090184883	-2.0804538356	 0.163866
+H	-0.547643951	-4.4604904441	-3.1621087577	 0.13588
+H	 2.1145796724	-1.8385056903	-2.836745609	 0.10478
+H	 0.9467574958	-0.4870325335	-2.8922354258	 0.122644
+H	 0.2817771163	-0.9654911177	-0.545261537	 0.102912
+H	 3.7768368081	-2.5630945993	 0.0775423774	 0.106802
+H	 1.7243437149	-0.8620363703	 1.6967439868	 0.121618
+H	 3.4898701442	-0.3927943329	 1.5250215108	 0.118892
+H	 3.0721171852	 0.122995747	-0.9690279387	 0.10299
+19
+0 1167	4.1518686	0.9970026	0.8884075	1.8929	76.38	-0.26136	0.01764	0.27899999999999997	1352.7966	0.155897	-422.561914	-422.552962	-422.552018	-422.596763	32.193
+C	 1.3572877999	 4.1888197709	-1.7086896971	-0.478645
+C	 2.1236583274	 2.9295548322	-2.0368195041	 0.42043
+O	 3.2988581618	 2.8702137792	-2.2960596617	-0.353014
+O	 1.3037840708	 1.8545758515	-2.0097348857	-0.259412
+C	 1.9109361482	 0.5944615441	-2.3353545656	 0.157195
+C	 0.8303247595	-0.5195961134	-2.2508958888	-0.271861
+C	 1.6077952983	-1.1625870153	-1.0929686936	-0.042874
+C	 3.0085784148	-1.4696026796	-1.5388759944	-0.277646
+C	 2.6600928736	-0.0536750425	-1.1696803636	-0.061339
+H	 0.8456231525	 4.080835943	-0.7484851473	 0.14786
+H	 2.0443414809	 5.0334381828	-1.675793293	 0.147329
+H	 0.5892487491	 4.365224031	-2.4675960619	 0.149752
+H	 2.4743038118	 0.7069986524	-3.2648433635	 0.095591
+H	-0.122434363	-0.0853573732	-1.9429767115	 0.119486
+H	 0.6769854863	-1.1340804248	-3.1437992523	 0.098092
+H	 1.1652642968	-1.630142273	-0.2223134177	 0.087122
+H	 3.6311234705	-1.9902004609	-0.8183905283	 0.116056
+H	 3.2118161153	-1.7367978339	-2.5741863296	 0.107677
+H	 3.1736556256	 0.4866880995	-0.3854898901	 0.098199
+19
+0 1168	3.7277258	0.9971243	0.9304939	1.8095	77.15	-0.24481	0.01856	0.26337	1333.811	0.156184	-422.608653	-422.59949	-422.598545	-422.644316	32.365
+C	-0.449366136	-1.820472685	-2.2076396059	-0.477056
+C	 0.0119991797	-0.6778804545	-3.0816663911	 0.427506
+O	 0.2092999686	-0.7424224923	-4.2696726872	-0.358328
+O	 0.1798805633	 0.4417538159	-2.3472285821	-0.254903
+C	 0.641042919	 1.6169806886	-3.0573715928	 0.128787
+C	-0.5501336889	 2.3497405133	-3.7214787203	-0.264475
+C	-0.8685007813	 3.458609615	-2.7485039885	-0.059451
+C	 0.0696938319	 3.5885360261	-1.8127606522	-0.056959
+C	 1.187122531	 2.5888236543	-1.9894204061	-0.279895
+H	-1.4010130188	-1.5665283207	-1.7319358923	 0.148856
+H	-0.5647382222	-2.7178657138	-2.8141828846	 0.146483
+H	 0.2749236525	-1.9986783901	-1.4079208126	 0.147859
+H	 1.3862531754	 1.2936246817	-3.7838476128	 0.10284
+H	-0.263801468	 2.7472379533	-4.7041809447	 0.114758
+H	-1.3847833876	 1.6649433092	-3.9000155781	 0.118415
+H	-1.7533416919	 4.0783032243	-2.8403512389	 0.093661
+H	 0.0728330948	 4.3309259003	-1.0229036961	 0.093327
+H	 2.1083450735	 3.0762726034	-2.3353012621	 0.110558
+H	 1.4416502651	 2.046377531	-1.0730166014	 0.118017
+19
+0 1169	3.2267418	0.9362345	0.8089773	1.8741	77.36	-0.23855	-0.02936	0.20919000000000001	1442.6444	0.154102	-422.58367	-422.573873	-422.572929	-422.62022	34.035
+C	-2.1985911246	 3.6962379804	 1.8384256826	-0.477093
+C	-2.4784680369	 2.2076125273	 1.7461764442	 0.381507
+O	-3.6004284828	 1.7575307105	 1.7969486489	-0.30114
+C	-1.2724315201	 1.2933187382	 1.5544699794	-0.30455
+C	-1.0242842071	 1.0415497029	 0.0614708282	-0.105558
+C	-2.0477633679	 0.1925531807	-0.7589818779	-0.237209
+C	-0.891299377	-0.6961433843	-1.3100734059	-0.341592
+C	 0.0398860747	-0.0203658771	-0.2913755062	 0.390584
+O	 1.1221745421	-0.2697311035	 0.1523711566	-0.294044
+H	-1.6761586088	 3.9100075711	 2.7787628905	 0.146422
+H	-1.5349224495	 4.0235626179	 1.0303591297	 0.136196
+H	-3.1326400493	 4.258212181	 1.8077199791	 0.143781
+H	-0.3689167824	 1.7252558185	 1.9971311203	 0.119902
+H	-1.4850832986	 0.3430155714	 2.0532526984	 0.124209
+H	-0.7831575991	 1.9813321817	-0.4523091564	 0.103499
+H	-2.736003299	-0.3517884282	-0.1102182267	 0.1332
+H	-2.6285861191	 0.7377919154	-1.5030583951	 0.113198
+H	-0.9845587051	-1.7811754408	-1.2192474485	 0.134266
+H	-0.6037032496	-0.460470253	-2.3400305011	 0.134424
+19
+0 1170	3.6177612	0.966223	0.9263043	3.6894	78.06	-0.2332	-0.00567	0.22752999999999998	1340.8407	0.155352	-422.576743	-422.567534	-422.56659	-422.611828	32.812
+C	-2.1496386798	 3.4484789121	-0.7395110112	-0.485182
+C	-0.8716524102	 3.5976719372	 0.0650033144	 0.402245
+O	-0.7851637201	 4.3719650102	 0.9885715661	-0.297566
+C	 0.3150774412	 2.7118357813	-0.3195052741	-0.311685
+C	 0.5360538256	 2.5591691192	-1.8321018204	 0.078065
+O	 0.5652116951	 3.8505705282	-2.4514297267	-0.277391
+C	 1.7832229953	 4.0371684551	-3.1704778007	-0.11546
+C	 2.5636057216	 2.7730880318	-2.9461776922	-0.09472
+C	 1.8565669143	 1.9349143278	-2.1982973961	-0.090423
+H	-2.9539381444	 3.9998600509	-0.2514113396	 0.136433
+H	-1.9866949032	 3.8518840965	-1.7447794589	 0.164942
+H	-2.4308326243	 2.3955263474	-0.8522856802	 0.125852
+H	 1.2040628874	 3.1284433314	 0.1609433478	 0.123219
+H	 0.1381819495	 1.7152090322	 0.1105261754	 0.114581
+H	-0.3019352702	 1.983988924	-2.2599062215	 0.084269
+H	 1.5661895161	 4.2115491471	-4.2362026414	 0.108442
+H	 2.3046410347	 4.9307749301	-2.7953155688	 0.114168
+H	 3.5517946625	 2.6070017409	-3.3557488914	 0.111295
+H	 2.147763609	 0.9447298564	-1.8719588804	 0.108915
+19
+0 1171	4.039477	0.9189762	0.846953	4.45	78.61	-0.25423	0.00788	0.26211	1405.0816	0.156437	-422.595721	-422.586721	-422.585777	-422.630566	32.444
+C	-0.8280115322	 1.8955743441	 2.7400106773	-0.525045
+C	-0.8054812556	 3.1325362788	 1.8596592117	 0.412469
+O	-1.0328615941	 4.2353505028	 2.2781679914	-0.313702
+O	-0.5278556309	 2.9829648961	 0.5403426103	-0.23925
+C	-0.1989959997	 1.7120227697	-0.0555081895	 0.09926
+C	 1.3247738759	 1.4298718722	-0.0461828052	-0.242502
+C	 1.6665584095	 0.9159865042	-1.4686016838	-0.260718
+C	 0.4613028156	 1.3226387582	-2.2802879505	-0.061348
+C	-0.5417002371	 1.7559785935	-1.521639806	-0.077293
+H	-1.6460283147	 1.2254417142	 2.456264059	 0.150227
+H	 0.1037780526	 1.3276133408	 2.6736205175	 0.145322
+H	-0.9826386962	 2.2244868163	 3.7666393699	 0.151859
+H	-0.7705083041	 0.9262221274	 0.4515462057	 0.090138
+H	 1.8296580494	 2.3813638707	 0.1421472362	 0.130346
+H	 1.6236830856	 0.7318255033	 0.7394255688	 0.101557
+H	 2.5999490884	 1.338209822	-1.8571370673	 0.114237
+H	 1.7950126896	-0.1745179378	-1.4843001151	 0.113316
+H	 0.4304527121	 1.2324363399	-3.360548229	 0.103364
+H	-1.5160377442	 2.0829775936	-1.8637283814	 0.107766
+19
+0 1172	6.7170488	0.5250185	0.4928856	1.4538	79.7	-0.24969	-0.01477	0.23492	2159.1718	0.151888	-422.525414	-422.514376	-422.513432	-422.56373	36.915
+C	 1.6821300051	-6.2869832383	-1.7276170432	-0.473222
+C	 0.3034724872	-5.7646031474	-1.3670045134	 0.377864
+O	-0.6309440458	-6.5073820048	-1.1640608979	-0.29265
+C	 0.1580682181	-4.2536447314	-1.2728599438	-0.317654
+C	-1.2512174065	-3.8130619582	-0.9112224999	-0.040211
+O	-1.2571010569	-2.3994281013	-0.8548252243	-0.251426
+C	-2.5305407317	-1.8825306687	-0.5230481776	-0.206895
+C	-2.4828122757	-0.4269093978	-0.4782019767	 0.279351
+C	-2.4719060325	 0.7729573119	-0.4347160309	-0.414382
+H	 1.6678814064	-7.3768748284	-1.7602694573	 0.144016
+H	 1.9968116374	-5.892410482	-2.7003255112	 0.140431
+H	 2.4229662111	-5.9484563334	-0.9946037117	 0.140204
+H	 0.8736691167	-3.8702461014	-0.5339168747	 0.132924
+H	 0.4598696638	-3.8041885102	-2.2278352139	 0.132748
+H	-1.9705551728	-4.1795943787	-1.659572989	 0.104315
+H	-1.5513429759	-4.2463141307	 0.0552096906	 0.104451
+H	-3.2835499373	-2.2064636816	-1.2621312702	 0.119966
+H	-2.8633853329	-2.2730537962	 0.4541344806	 0.119957
+H	-2.4569186979	 1.8341287487	-0.3985362054	 0.200211
+19
+0 1173	6.5492778	0.5411799	0.5061458	2.1748	79.44	-0.24796	-0.01494	0.23302	2083.6995	0.152058	-422.528285	-422.517289	-422.516345	-422.567102	36.909
+C	-1.9059452005	 3.5421781213	-1.0200486579	-0.46687
+C	-2.7112555026	 2.6477175353	-0.1063510221	 0.347983
+O	-3.829415345	 2.9112637327	 0.2677013974	-0.294106
+C	-2.0621237123	 1.3432123817	 0.3613152879	-0.155178
+O	-0.7664543644	 1.196668712	-0.1659108396	-0.244974
+C	-0.127105013	 0.0048354314	 0.2395288311	-0.047924
+C	 1.2624807776	-0.0181046883	-0.4057078595	-0.352811
+C	 2.011747195	-1.2149407873	-0.0494193278	 0.284383
+C	 2.6051757011	-2.2122359394	 0.2621307782	-0.442651
+H	-1.6264419556	 2.997596943	-1.9277534564	 0.147536
+H	-2.4899029084	 4.428293955	-1.2697600954	 0.136999
+H	-0.9659470059	 3.8252506568	-0.5353899558	 0.147556
+H	-2.0523783396	 1.3500245758	 1.4637595967	 0.12299
+H	-2.720030091	 0.5130088498	 0.0556124533	 0.122977
+H	-0.0365555602	-0.0363236753	 1.3360725976	 0.106263
+H	-0.706498597	-0.8763614294	-0.07685354	 0.106261
+H	 1.144641673	 0.0487707952	-1.4937296539	 0.141074
+H	 1.8080534092	 0.8806124558	-0.0945688406	 0.141074
+H	 3.1415402994	-3.0888553961	 0.5290277467	 0.199417
+19
+0 1174	4.5531762	0.598415	0.5825314	1.819	78.7	-0.26305	0.01385	0.2769	1868.9392	0.153535	-422.561465	-422.55073	-422.549786	-422.599277	36.375
+C	 2.7749128934	 0.3387172939	 0.701906107	-0.476716
+C	 1.2974174594	 0.1605932334	 0.44958455	 0.426194
+O	 0.4121172381	 0.5086165483	 1.1892715733	-0.353664
+O	 1.0916022239	-0.4489512234	-0.7406299461	-0.242599
+C	-0.2791379012	-0.6820445424	-1.1116187593	-0.07569
+C	-0.794032392	-1.9972099712	-0.535909343	-0.191306
+C	-2.23775127	-2.2834441362	-0.9957075513	-0.356897
+C	-2.751805851	-3.5471536597	-0.4830872405	 0.291829
+C	-3.1533318315	-4.5937172941	-0.0498672468	-0.431548
+H	 2.9221726709	 0.8361900266	 1.6595644864	 0.148648
+H	 3.2734248038	-0.6347382189	 0.7055924918	 0.150797
+H	 3.2240070408	 0.9299167337	-0.1010453969	 0.150367
+H	-0.8897028581	 0.1579372304	-0.7695137301	 0.130984
+H	-0.2739907274	-0.7049694586	-2.2051223964	 0.112066
+H	-0.1388250593	-2.8159695519	-0.850190934	 0.117756
+H	-0.7622136774	-1.9494467548	 0.5560323573	 0.136075
+H	-2.8940841146	-1.4648035219	-0.6724712416	 0.138271
+H	-2.2809217894	-2.2922551105	-2.0932903731	 0.130068
+H	-3.5187283386	-5.5154523928	 0.3295994333	 0.195366
+19
+0 1175	2.7001985	1.2182031	1.0248495	2.0111	78.13	-0.26101	-0.04267	0.21834000000000003	1222.4851	0.152083	-422.544848	-422.534314	-422.53337	-422.579928	38.348
+C	-0.3704203511	 2.7621254817	 0.9444784968	-0.407231
+C	-0.9905540634	 2.2302703352	-0.3625824264	-0.187585
+C	-1.3203312469	 3.3316271111	-1.2629344614	 0.337463
+C	-1.5902933521	 4.2551165353	-1.983474169	-0.458279
+C	-0.0489022457	 1.1882159108	-1.0628577554	 0.27004
+C	-0.6541437808	 0.6850451194	-2.3854447359	-0.430125
+O	 1.2178075684	 1.7502462736	-1.2925129801	-0.463008
+C	 0.0992363741	-0.0122246339	-0.1378936938	 0.125308
+O	 1.1739649505	-0.3872348913	 0.2623779981	-0.271368
+H	-0.2039114886	 1.9502096424	 1.65983532	 0.1193
+H	 0.5882855838	 3.2379507324	 0.7310627786	 0.149445
+H	-1.0323801429	 3.496891303	 1.4076830607	 0.127995
+H	-1.9246094036	 1.7021009587	-0.1212554532	 0.103092
+H	-1.8284928797	 5.0701033051	-2.6212344195	 0.197373
+H	 0.0081343855	-0.0557846802	-2.8414436584	 0.127977
+H	-1.6407671397	 0.2345037738	-2.2339131364	 0.114144
+H	-0.7598668925	 1.5296697303	-3.0689489699	 0.155309
+H	 1.8454136276	 1.200647847	-0.796319089	 0.292784
+H	-0.839383843	-0.5392479044	 0.1328870545	 0.097365
+19
+0 1176	2.621357	1.1683469	1.025293	3.3835	77.35	-0.24558	-0.02449	0.22108999999999998	1236.6367	0.151785	-422.537392	-422.526479	-422.525534	-422.573233	38.877
+C	 2.796186692	-0.3732643519	 2.6426852982	-0.445565
+C	 3.1255075387	-0.8636768415	 1.2179840185	 0.140122
+C	 2.5848327346	-2.2740960054	 0.9699270574	-0.424327
+C	 4.6490918605	-0.8467242387	 1.0785268059	 0.129885
+O	 5.3298137579	-1.8285557459	 0.9242594419	-0.252117
+C	 2.557666807	 0.1393296848	 0.1541208298	-0.065229
+O	 3.1122341183	 1.4457228242	 0.2971788646	-0.428754
+C	 1.0944043352	 0.1848496493	 0.1640508927	 0.291951
+C	-0.1044901422	 0.2688596773	 0.2055538365	-0.43547
+H	 3.1663052372	-1.0835075203	 3.3875073375	 0.132675
+H	 3.2551121074	 0.5986751956	 2.8500087235	 0.118871
+H	 1.7133629486	-0.278359796	 2.769143108	 0.134463
+H	 3.075156593	-2.986953202	 1.6365539917	 0.13207
+H	 1.5062045292	-2.3116990742	 1.1397145599	 0.123165
+H	 2.7860781777	-2.6000101681	-0.0551698909	 0.123566
+H	 5.1018577973	 0.1638329316	 1.1481185197	 0.099151
+H	 2.8898951671	-0.2058932231	-0.8332680713	 0.127157
+H	 2.5705645077	 1.9280755657	 0.9303484973	 0.292154
+H	-1.1647642471	 0.3359490087	 0.220998589	 0.206233
+19
+0 1177	1.9427685	1.3981117	0.9965754	1.6042	77.23	-0.23789	-0.01964	0.21825	1265.4516	0.152221	-422.546011	-422.53508	-422.534136	-422.582369	38.556
+C	-2.1041610733	 2.8181083775	-1.7454194978	-0.397539
+C	-1.2235947952	 1.5760773023	-1.5048391599	-0.165728
+C	-0.2595494957	 1.7972568397	-0.4292619967	 0.318558
+C	 0.522838063	 1.979123674	 0.4651167436	-0.466292
+C	-2.0899480718	 0.3341435145	-1.2093261065	 0.029049
+O	-2.8448963716	 0.077052399	-2.392612191	-0.433043
+C	-1.2898291791	-0.9354628779	-0.8563435577	 0.36812
+C	-0.2136209728	-1.3665660006	-1.8316617039	-0.489249
+O	-1.5775206368	-1.5753975053	 0.1281967326	-0.304205
+H	-2.6545068064	 3.0797031718	-0.8367440328	 0.126298
+H	-1.487264258	 3.6747915297	-2.027325792	 0.125593
+H	-2.8188421041	 2.6136833533	-2.5447767292	 0.137361
+H	-0.673131946	 1.3643394298	-2.4311998039	 0.117186
+H	 1.2150496858	 2.1361968277	 1.2550951602	 0.201425
+H	-2.7442908006	 0.5405497925	-0.3524053165	 0.094737
+H	-3.5358055662	-0.5565193117	-2.1727153241	 0.297642
+H	 0.0791361125	-2.3963677722	-1.6238518439	 0.139244
+H	-0.5658892953	-1.2667111414	-2.8619465325	 0.145944
+H	 0.6617761918	-0.7178402727	-1.712843648	 0.154899
+19
+0 1178	1.9341353	1.3787635	0.9835882	1.4854	77.3	-0.24053	-0.01481	0.22572	1269.9289	0.152124	-422.543114	-422.532156	-422.531212	-422.579383	38.583
+C	 4.7158938212	 1.4371034131	-0.4645136019	-0.420329
+C	 3.1811882872	 1.3405868668	-0.3945012175	-0.08283
+C	 2.742572142	-0.0710759092	 0.077078376	-0.055838
+O	 3.3267179515	-0.4023699551	 1.3330796808	-0.415982
+C	 1.2819217037	-0.1919606732	 0.1198737005	 0.281643
+C	 0.0828815927	-0.2513882758	 0.1863051504	-0.431431
+C	 2.5695112509	 1.7670574609	-1.7358779949	 0.385564
+C	 2.5642574731	 0.7608781218	-2.874530338	-0.4893
+O	 2.1367229169	 2.8865859441	-1.8797231083	-0.304975
+H	 5.1468267522	 1.1493422752	 0.4965375581	 0.140668
+H	 5.1271377144	 0.7687200487	-1.2289163546	 0.118797
+H	 5.0250586546	 2.4583174626	-0.7018979227	 0.132094
+H	 2.8117586117	 2.0678183522	 0.3368974257	 0.096453
+H	 3.1448214194	-0.8189194463	-0.6170724318	 0.119069
+H	 2.8581519528	 0.0973640654	 2.0113909029	 0.288017
+H	-0.976462712	-0.3148939443	 0.2374186821	 0.206636
+H	 1.8183102307	-0.0156934623	-2.67042324	 0.154649
+H	 2.30210799	 1.2689369522	-3.8031546072	 0.142897
+H	 3.532681587	 0.2621538133	-2.9818695698	 0.134198
+19
+0 1179	2.1158817	1.3997094	0.8931561	1.962	77.15	-0.25729	0.05158	0.30887000000000003	1302.5172	0.153324	-422.500301	-422.490083	-422.489139	-422.535718	36.706
+C	 16.2888688861	 8.895698652	 6.7177632335	-0.398917
+C	 16.5357546826	 8.1820195847	 8.0621436743	-0.165649
+C	 16.3993366761	 9.1091891964	 9.182666674	 0.335056
+C	 16.2861698689	 9.8963250338	 10.0835279225	-0.470563
+C	 15.6100294892	 6.9566269475	 8.2236548901	 0.102742
+O	 15.9212209355	 6.0929515313	 7.1355032075	-0.432102
+C	 15.8147277428	 6.2198018702	 9.5333053543	 0.054685
+C	 14.7622454642	 5.3394871727	 10.0657571442	-0.194622
+O	 15.020802049	 6.6168932784	 10.6455701219	-0.216166
+H	 16.4154373334	 8.1923493242	 5.8932137989	 0.136723
+H	 15.2734306547	 9.3023431001	 6.6820689475	 0.122175
+H	 16.9890781902	 9.7253157685	 6.5939443881	 0.122661
+H	 17.5621822332	 7.7882940901	 8.0570726707	 0.111841
+H	 16.1836391686	 10.5757214912	 10.8929523467	 0.195109
+H	 14.5624944813	 7.2948210847	 8.1844399082	 0.082638
+H	 15.3710152245	 5.3069973891	 7.2139566037	 0.285253
+H	 16.8525337041	 5.9823771603	 9.7735262295	 0.099495
+H	 13.8110129375	 5.252666887	 9.539349084	 0.110755
+H	 15.0334844684	 4.4800147277	 10.6766930304	 0.118888
+19
+0 1180	2.0790252	1.4116894	0.8900701	1.302	77.11	-0.25898	0.03068	0.28966	1299.1411	0.153254	-422.497226	-422.486967	-422.486023	-422.532723	36.739
+C	 4.7115564085	-1.4597997011	-0.0159693963	-0.405386
+C	 3.1825484077	-1.4440734105	 0.1157203639	-0.026679
+C	 2.6581408896	 0.0168443961	 0.0620820142	-0.053759
+O	 3.1186024558	 0.6940746696	-1.1069854423	-0.422653
+C	 1.2010329707	 0.1002653866	 0.1724589746	 0.303328
+C	 0.0021039293	 0.1754437448	 0.2055682632	-0.438574
+C	 2.7557182699	-2.1402241587	 1.3919208248	 0.090878
+C	 2.6148024965	-3.5999733834	 1.4672147583	-0.183477
+O	 1.4671336043	-2.7515064578	 1.4295106835	-0.228677
+H	 5.1847446385	-0.992361729	 0.8559331111	 0.114766
+H	 5.0847907645	-2.485226524	-0.0888817093	 0.11316
+H	 5.022882223	-0.9046381499	-0.902320437	 0.13809
+H	 2.7315089198	-1.9884700732	-0.7237865876	 0.081455
+H	 3.1116796878	 0.5659153883	 0.8986739371	 0.114613
+H	 2.532881042	 0.4457503534	-1.8306906756	 0.285966
+H	-1.0573129661	 0.2322190169	 0.2552619993	 0.201045
+H	 3.0215991195	-1.6150663979	 2.3129933133	 0.09059
+H	 2.7806223589	-4.2012483335	 0.5734917539	 0.11164
+H	 2.7884786497	-4.1162259466	 2.4103411409	 0.113674
+19
+0 1181	3.1020489	0.9317587	0.9291034	2.5697	77.52	-0.25861	0.04168	0.30029	1378.3835	0.154424	-422.50822	-422.498273	-422.497328	-422.543126	36.63
+O	-0.8148120588	 3.3525594536	-2.1161493707	-0.423658
+C	 0.2712066455	 3.8052678124	-1.324802754	-0.079859
+C	 1.5706549893	 3.4212328734	-1.891707292	 0.331388
+C	 2.6350783829	 3.109807258	-2.3545109004	-0.443062
+C	 0.1139823385	 3.289038083	 0.1249093642	 0.100967
+O	-0.0068167362	 1.8722051508	-0.0009725104	-0.454354
+C	-1.0934350915	 3.8904748622	 0.8024299093	-0.009144
+C	-1.2233896616	 3.7956590509	 2.3063734937	-0.29889
+C	-0.9487657514	 5.1257783617	 1.6512806864	-0.269664
+H	-0.8595962509	 2.4001592491	-1.9537184749	 0.290815
+H	 0.2005100458	 4.8986904936	-1.3055183839	 0.117041
+H	 3.5727736272	 2.8331869005	-2.769193176	 0.194272
+H	 1.0217366156	 3.5451915481	 0.6929197724	 0.076147
+H	-0.4448280641	 1.5482125308	 0.7923554537	 0.289992
+H	-2.0056055081	 3.7986704162	 0.2212910276	 0.104869
+H	-2.2064478975	 3.618816302	 2.7278746686	 0.119266
+H	-0.411519075	 3.3360911207	 2.8623649257	 0.11539
+H	-1.7441047529	 5.8614691106	 1.6207741121	 0.120589
+H	 0.0435587231	 5.5485022023	 1.7706398485	 0.117895
+19
+0 1182	2.4338898	1.2667364	1.0256229	1.9941	77.23	-0.23217	0.03646	0.26863	1233.0102	0.153441	-422.510727	-422.500708	-422.499764	-422.545197	37.504
+C	-4.1566641628	-2.084323252	 3.3760417826	-0.387572
+C	-3.8837368707	-1.1895436868	 2.1492223339	-0.2243
+C	-2.638519301	-0.4334755646	 2.308582366	 0.288381
+C	-1.6562422678	 0.240230161	 2.4792395305	-0.446747
+C	-5.0302702603	-0.2132855576	 1.8946167549	 0.379536
+O	-5.1804906772	 0.7766836442	 2.8854213103	-0.47981
+C	-6.3297011069	-0.6849454291	 1.2979672607	-0.38532
+C	-5.4140999398	 0.2364468689	 0.5071934772	 0.082474
+O	-5.7585476265	 1.5699924149	 0.3177213445	-0.437259
+H	-3.3173771951	-2.759306716	 3.5597088901	 0.123595
+H	-4.310659232	-1.4680933802	 4.2647787217	 0.136949
+H	-5.0582932894	-2.6803118918	 3.2096399716	 0.122682
+H	-3.7913945366	-1.8276932852	 1.2608688136	 0.109638
+H	-0.7671499449	 0.8073819414	 2.606974109	 0.20306
+H	-4.3057817599	 1.1726120598	 3.0118084685	 0.290381
+H	-6.4177847602	-1.7257183746	 1.0029264305	 0.111989
+H	-7.2342091761	-0.2422909138	 1.7012542216	 0.125954
+H	-4.8854541648	-0.1704854323	-0.3497811292	 0.102532
+H	-5.7928766177	 1.9600075739	 1.203021962	 0.283838
+19
+0 1183	2.5313196	1.250171	1.0678457	2.4578	77.13	-0.25547	0.02278	0.27825	1205.6837	0.153617	-422.508708	-422.498558	-422.497613	-422.543363	37.652
+C	 2.4456567683	 0.6725955225	-2.3365403787	-0.478335
+C	 3.0124511527	 1.0212781493	-0.9759856832	 0.298313
+C	 3.3328501165	 2.4714157761	-0.6575545604	-0.34949
+C	 4.4469445382	 1.4896783587	-0.8897726593	 0.072354
+O	 5.2227935456	 1.1210584779	 0.2113462737	-0.427006
+C	 2.582943525	 0.1322750034	 0.1916623677	-0.155699
+O	 3.2907463318	-1.1192363106	 0.169761856	-0.433545
+C	 1.1346146542	-0.0740833938	 0.2486312992	 0.3068
+C	-0.0522556721	-0.2646183462	 0.2696858702	-0.428139
+H	 2.6626364731	-0.3681255717	-2.6083259237	 0.10493
+H	 1.359926632	 0.8069178994	-2.3632384499	 0.133849
+H	 2.8848126199	 1.3064518185	-3.1123382307	 0.119435
+H	 3.1293245464	 3.2199080262	-1.4156626269	 0.111474
+H	 3.1914503847	 2.8086374649	 0.3635922806	 0.123678
+H	 4.9952207044	 1.5615064758	-1.8298835202	 0.083961
+H	 5.2068882986	 0.1557134553	 0.2527332305	 0.297021
+H	 2.9133213031	 0.6019941776	 1.1218191533	 0.130742
+H	 2.9182888917	-1.6568113937	-0.5377669666	 0.289049
+H	-1.101006584	-0.4292985394	 0.3069248282	 0.200607
+19
+0 1184	2.392481	1.2753765	1.0347799	1.9936	77.12	-0.25614	0.03369	0.28983	1237.2749	0.153611	-422.511706	-422.501606	-422.500662	-422.546382	37.507
+C	 2.8631380598	-3.724271525	-1.2170292035	-0.421186
+C	 3.2129764466	-2.253246712	-1.2074885629	-0.055071
+C	 4.4968343046	-1.7676165171	-0.5529640076	-0.34951
+C	 3.1756523487	-1.459040184	 0.0751589659	 0.391611
+O	 2.9209498151	-2.117223697	 1.2917968471	-0.47766
+C	 2.6517479324	-0.0288882593	 0.0960795298	-0.109585
+O	 3.2573565434	 0.7128234342	 1.1418711146	-0.413773
+C	 1.1827455516	-0.0506964911	 0.2253640584	 0.299398
+C	-0.0091911664	-0.1228375795	 0.3714362965	-0.456369
+H	 3.1140898412	-4.18842747	-0.2597503804	 0.130034
+H	 1.7924843787	-3.8754164396	-1.3945514311	 0.1174
+H	 3.4084348124	-4.2523275732	-2.0061259778	 0.120522
+H	 2.907030894	-1.7074124916	-2.0972974574	 0.087645
+H	 5.1031747993	-2.5091968762	-0.0440547708	 0.123914
+H	 5.054819779	-0.9584631599	-1.0111700618	 0.119555
+H	 1.9624505048	-2.2230869891	 1.3620099849	 0.289264
+H	 2.9260257348	 0.4754930324	-0.8370384102	 0.113018
+H	 3.2342317168	 0.1357149299	 1.9167789815	 0.28919
+H	-1.0651252465	-0.1512190119	 0.4848977351	 0.201605
+19
+0 1185	2.4606872	1.180446	1.0935143	1.3158	77.71	-0.25591	0.02369	0.2796	1240.4665	0.152136	-422.508196	-422.497464	-422.49652	-422.544013	38.138
+C	 5.2067075094	-1.6305841631	 0.0520016684	-0.426689
+C	 4.3672001754	-1.3804152613	 1.2783287669	 0.023393
+O	 3.0625834449	-1.9798571083	 1.3390677254	-0.299524
+C	 3.1515375318	-0.5498026575	 1.3653595682	 0.393571
+C	 2.7855685122	 0.104980726	 2.6786889865	-0.483381
+C	 2.5982905643	 0.1402834975	 0.1121341343	-0.114861
+O	 3.1631306807	 1.4441366017	-0.0323724401	-0.42153
+C	 1.1344808361	 0.180977666	 0.120183328	 0.294323
+C	-0.0648260109	 0.2605852968	 0.1456952114	-0.445948
+H	 5.6373601997	-2.6363762888	 0.0975099768	 0.129152
+H	 4.6323130628	-1.5575897274	-0.8730395494	 0.130255
+H	 6.0324334557	-0.9127967547	 0.007009821	 0.131283
+H	 4.9243964793	-1.4797466744	 2.2131748589	 0.085681
+H	 3.2095725706	-0.4561326578	 3.5143420561	 0.129062
+H	 3.1714191925	 1.1286655096	 2.7172572644	 0.122112
+H	 1.6987670153	 0.1392301632	 2.801611467	 0.136916
+H	 2.9206152116	-0.4295206205	-0.7635528667	 0.120116
+H	 2.576074853	 2.0684600019	 0.4059468983	 0.291718
+H	-1.1257924343	 0.313375271	 0.1541914946	 0.20435
+19
+0 1186	2.4848879	1.2825164	1.1163493	0.8982	76.57	-0.2541	0.04724	0.30134	1184.9421	0.15382	-422.505273	-422.495437	-422.494493	-422.539774	36.031
+C	-1.2596779783	 0.6317568172	-1.1456658014	-0.403953
+C	 0.2231681756	 0.3496662077	-0.8336741475	-0.186255
+C	 0.8452602681	 1.476009878	-0.1375752281	 0.344124
+C	 1.3556765732	 2.4078440374	 0.4243970774	-0.473427
+C	 0.4031933021	-0.9565464865	-0.0364941802	 0.347041
+O	-0.3656520669	-0.8512837345	 1.1307676233	-0.471927
+C	 0.2583420703	-2.2395244499	-0.9003355206	-0.136866
+O	 1.6873742487	-2.4099376019	-0.9356117588	-0.272014
+C	 1.8787621959	-1.4132471631	 0.0895684841	-0.134866
+H	-1.8216200486	 0.7658641836	-0.2201875605	 0.148568
+H	-1.3549718387	 1.5370025984	-1.7496465722	 0.125017
+H	-1.7001049904	-0.2012247732	-1.7024257772	 0.113398
+H	 0.7592533935	 0.2022888184	-1.7810150729	 0.116772
+H	 1.8042835043	 3.2307701708	 0.9234042322	 0.195251
+H	-0.2328132083	-1.6445335594	 1.6599849549	 0.283427
+H	-0.247039888	-3.0581223846	-0.3658336101	 0.088107
+H	-0.1752535657	-2.1452049959	-1.9022795597	 0.108265
+H	 2.1079871481	-1.8624114345	 1.0677321751	 0.08871
+H	 2.6581587451	-0.6885595581	-0.1658750177	 0.120629
+19
+0 1187	2.560153	1.278575	1.1372197	1.0919	76.81	-0.24074	0.02793	0.26867	1176.6777	0.153716	-422.50741	-422.497423	-422.496479	-422.542272	36.258
+C	 2.6943657624	-0.6857761193	 2.6070419795	-0.460735
+C	 3.1321938538	-0.9768295748	 1.1826656121	 0.429584
+C	 4.6341435626	-1.2804152377	 0.9620472699	-0.336011
+C	 4.1412876594	-2.657264377	 0.477662747	-0.070121
+O	 2.7663586712	-2.3183074246	 0.7645353227	-0.320441
+C	 2.5814032445	 0.0475852483	 0.1581837738	-0.091641
+O	 3.1521085216	 1.3365514446	 0.377679807	-0.426635
+C	 1.1195839515	 0.0899570985	 0.1411751509	 0.297674
+C	-0.0799504984	 0.1683475533	 0.1611013773	-0.440466
+H	 3.1060418053	-1.435219413	 3.287864522	 0.121044
+H	 3.0542181914	 0.2990079262	 2.9235550771	 0.114846
+H	 1.603844988	-0.706653414	 2.6865987949	 0.137527
+H	 5.1329628523	-0.6519283818	 0.2233321161	 0.121534
+H	 5.2287754476	-1.297550475	 1.876654091	 0.107672
+H	 4.2954489533	-2.8701254522	-0.5872912297	 0.103745
+H	 4.4761231337	-3.5227990682	 1.0608085003	 0.104827
+H	 2.9357434611	-0.2684745816	-0.830243354	 0.115214
+H	 2.5975498153	 1.7963772195	 1.0164485574	 0.290832
+H	-1.1407611666	 0.223370149	 0.1609023447	 0.201551
+19
+0 1188	2.5009739	1.2454646	1.1282201	2.6427	76.28	-0.24686	0.02352	0.27038	1182.9588	0.15415	-422.501328	-422.491453	-422.490509	-422.535988	35.884
+C	 2.5216727452	 0.4403698959	-2.4088981839	-0.493318
+C	 3.0815176831	 0.9158197122	-1.0763184568	 0.288196
+C	 2.9213236765	 2.4124615848	-0.713221856	-0.116502
+O	 4.3329898097	 2.5411635949	-0.4494960083	-0.278034
+C	 4.5938896842	 1.2394160176	-1.0162306438	-0.123493
+C	 2.6776329472	 0.0014869635	 0.1033386048	-0.094615
+O	 3.2084306106	-1.3129672608	-0.0455561747	-0.429569
+C	 1.227197524	-0.0164969154	 0.3144465707	 0.285637
+C	 0.0333221879	-0.053193916	 0.4543474952	-0.441359
+H	 2.8966831104	-0.5591236995	-2.6549205929	 0.117659
+H	 1.4278519855	 0.4004571352	-2.3885183398	 0.131455
+H	 2.822852557	 1.111727833	-3.2183058831	 0.122507
+H	 2.5993653463	 3.0440063836	-1.5525562469	 0.094655
+H	 2.3095100554	 2.6484052112	 0.165431871	 0.108585
+H	 5.0751782977	 1.3115418931	-2.0010733351	 0.091033
+H	 5.2065703768	 0.6104239594	-0.3617192976	 0.116817
+H	 3.1581864112	 0.4001830787	 1.0055055624	 0.127212
+H	 2.6152578802	-1.8068329614	-0.6212982652	 0.289787
+H	-1.018862299	-0.0834966201	 0.5981357099	 0.203348
+19
+0 1189	2.4952056	1.3023502	1.1472565	2.5384	76.51	-0.2596	0.041	0.3006	1168.8684	0.15445	-422.516553	-422.506938	-422.505994	-422.550528	36.298
+O	-0.624240167	-1.0866362288	 0.7768270964	-0.426377
+C	 0.6869360861	-0.8458035126	 0.2954199399	-0.08605
+C	 0.7357650741	 0.2898952752	-0.6366383805	 0.339621
+C	 0.7656601938	 1.2117927789	-1.4070823244	-0.459811
+C	 1.6539936456	-0.6506110405	 1.4804086367	 0.397698
+O	 1.1207250537	 0.4460549842	 2.1956745385	-0.4946
+C	 1.9069209918	-1.9776342194	 2.2485380816	-0.288835
+C	 3.2344269891	-2.1364603777	 1.4562897718	-0.218152
+C	 3.1532287851	-0.6326427412	 1.0726380906	-0.279389
+H	-0.8028886264	-0.3685311311	 1.398378043	 0.291072
+H	 0.9789901452	-1.7540745582	-0.2443616857	 0.113949
+H	 0.7853327811	 2.0284194467	-2.085739922	 0.194983
+H	 1.5673682665	 0.5036026608	 3.0455098339	 0.281872
+H	 2.0921116716	-1.7822615263	 3.3105811959	 0.087478
+H	 1.1407787994	-2.7509208	 2.1652491673	 0.120299
+H	 4.1115735498	-2.4573390259	 2.0205047656	 0.103255
+H	 3.1256993532	-2.7936311404	 0.5900871147	 0.111761
+H	 3.7285374526	-0.0031943404	 1.758718917	 0.096218
+H	 3.3886667246	-0.3360297831	 0.0481912498	 0.115008
+19
+0 1190	2.4045567	1.1747496	0.8713075	2.3239	77.67	-0.24506	0.04692	0.29198	1342.5638	0.153525	-422.505439	-422.4952	-422.494256	-422.540523	37.598
+C	-1.556988776	-11.8518043387	 2.1527574494	-0.39712
+C	-0.6272133636	-11.2774216147	 1.0665043929	-0.173547
+C	-0.3706628966	-12.2574394293	 0.0054707014	 0.3295
+C	-0.1317791169	-13.0542168441	-0.8641617554	-0.484165
+C	 0.6893954567	-10.7757048229	 1.6522741729	-0.102605
+C	 0.8729134652	-9.3036913957	 1.975671046	 0.052036
+O	 1.6619593939	-8.9189892436	 3.0598629193	-0.425342
+C	 1.5891633117	-9.8936636495	 0.8065889493	 0.075413
+O	 1.1609100275	-9.5070985382	-0.4645628135	-0.427739
+H	-1.7645832048	-11.0891002804	 2.9093469839	 0.114293
+H	-2.505819565	-12.1813075837	 1.7214187143	 0.127327
+H	-1.0923379071	-12.7103809815	 2.646656347	 0.126785
+H	-1.1311561879	-10.4226756613	 0.5990882862	 0.118833
+H	 0.0633121254	-13.7649490612	-1.6289316683	 0.19914
+H	 1.2023932414	-11.4766235708	 2.3055876401	 0.093969
+H	 0.0373011261	-8.6454691348	 1.7328172606	 0.095025
+H	 1.1652993157	-9.0912635777	 3.8666807321	 0.286529
+H	 2.6633551931	-10.0290241965	 0.927596299	 0.097507
+H	 1.097865981	-10.3052732255	-1.0034159772	 0.294161
+19
+0 1191	2.4014866	1.1418558	0.8781408	2.317	78.16	-0.25316	0.02863	0.28179	1362.6194	0.153509	-422.50519	-422.494783	-422.493838	-422.541043	37.644
+C	 5.4725084416	-2.4581838907	-0.8295378924	-0.419862
+C	 4.5297067022	-1.2923373938	-1.021597145	-0.047319
+C	 3.2710810703	-1.4315798688	-1.8239030261	 0.095796
+O	 2.9311012934	-0.3630424424	-2.6613082722	-0.426695
+C	 3.1855740417	-1.2507972838	-0.3231212052	-0.082752
+C	 2.6616814554	 0.0628446986	 0.2323176129	-0.06702
+O	 3.1505696259	 0.344124558	 1.5400197737	-0.414719
+C	 1.1919765604	 0.0930776886	 0.1816553759	 0.295369
+C	-0.0103958144	 0.0798172814	 0.1433919766	-0.465592
+H	 6.0536736413	-2.3474496647	 0.0920995723	 0.124267
+H	 4.9253529093	-3.4045758221	-0.7636024171	 0.113449
+H	 6.1763082239	-2.539540959	-1.6649130687	 0.123579
+H	 5.0081232775	-0.3214654232	-1.1257500023	 0.10203
+H	 3.0342416073	-2.4189288052	-2.2219940632	 0.084001
+H	 1.9724923716	-0.2614468565	-2.6341368635	 0.292744
+H	 2.8929366136	-2.1256289394	 0.2542241337	 0.080306
+H	 3.0436100686	 0.8763859235	-0.3920890515	 0.130222
+H	 2.7593298663	-0.2991702733	 2.1414345724	 0.281687
+H	-1.072224756	 0.0897223127	 0.1149944898	 0.20051
+19
+0 1192	2.9983976	1.0234053	0.8593407	1.1857	78.03	-0.2439	0.02689	0.27079000000000003	1390.133	0.154056	-422.506292	-422.496368	-422.495424	-422.541664	35.789
+C	 4.7779065159	 2.9833624141	-1.3519176565	-0.397234
+C	 4.1817995349	 1.748037372	-1.9934079243	 0.173172
+C	 4.5857883124	 0.3556892005	-1.456381413	-0.323604
+C	 3.076411277	 0.1664305919	-1.2235145389	 0.148097
+O	 2.7986151365	 1.5273534611	-1.6012661511	-0.308096
+C	 2.6360590554	-0.1495602273	 0.2138667345	-0.074402
+O	 3.1548593862	-1.4166587057	 0.6105704773	-0.418256
+C	 1.1824222159	-0.0776054092	 0.3579657617	 0.295449
+C	-0.0167252406	-0.074643252	 0.4418292298	-0.438319
+H	 4.7335915935	 2.9168230623	-0.2604416781	 0.118491
+H	 5.8250436784	 3.1005746496	-1.6523965219	 0.117106
+H	 4.2306389868	 3.8784924101	-1.6639158513	 0.129308
+H	 4.251174902	 1.8200354393	-3.0877405651	 0.075344
+H	 5.0588130814	-0.3247468783	-2.1646022428	 0.108635
+H	 5.1732097945	 0.3821965472	-0.5356283376	 0.115258
+H	 2.5956226944	-0.5478146802	-1.9078140136	 0.07135
+H	 3.1063958396	 0.5849471762	 0.8782829565	 0.117027
+H	 2.5786172822	-2.0944375383	 0.2403468331	 0.288968
+H	-1.0750050563	-0.0505224331	 0.5293145713	 0.201707
+19
+0 1193	3.3804818	0.9017354	0.7567523	1.7381	78.05	-0.2569	0.03145	0.28835	1481.1915	0.154444	-422.511972	-422.502104	-422.50116	-422.547015	36.194
+O	 2.3650788895	 7.0464411949	-0.3537727915	-0.427529
+C	 1.7810264292	 6.2192488438	 0.6499265657	-0.067823
+C	 0.9610274625	 6.9975903612	 1.5850999675	 0.3047
+C	 0.3042923239	 7.6563919903	 2.347144672	-0.462563
+C	 0.9654006168	 5.1541547937	-0.0751659609	 0.055125
+C	 1.7387852977	 4.1304744998	-0.9501917652	-0.257976
+C	 0.7808748985	 3.0366706992	-0.4386907187	 0.140737
+O	 1.4101701806	 1.8062551417	-0.1691438046	-0.43061
+C	 0.4005175963	 3.9671287268	 0.7492340544	-0.288543
+H	 2.7692951414	 7.8026633921	 0.0842215817	 0.288042
+H	 2.5714562162	 5.710109505	 1.2277111022	 0.090056
+H	-0.2786722601	 8.2335870326	 3.0217807431	 0.199558
+H	 0.1802354788	 5.6544373846	-0.6484691728	 0.086452
+H	 1.8026677146	 4.307481937	-2.024503623	 0.106459
+H	 2.7434771405	 3.9511532596	-0.554648157	 0.112156
+H	-0.0718365707	 2.9068178835	-1.1207846	 0.066532
+H	 0.7402022967	 1.1793109139	 0.1215493347	 0.281252
+H	-0.6418335227	 4.0117876915	 1.0719348044	 0.098042
+H	 1.0376320501	 3.7417560989	 1.610713488	 0.105934
+19
+0 1194	3.0354194	0.9972955	0.8917284	1.4298	78.5	-0.25773	0.02312	0.28085000000000004	1382.5144	0.152108	-422.507684	-422.497001	-422.496056	-422.543764	38.041
+C	 5.3156843656	 1.4709582012	-0.2510959073	-0.454908
+C	 4.3803301547	 1.0779208609	-1.3734816803	 0.395255
+C	 5.0505780358	 0.8782012677	-2.7169148757	-0.452857
+O	 3.1318823561	 1.8023398879	-1.4368250669	-0.291893
+C	 3.0898689783	 0.4098960235	-1.1314396416	-0.006536
+C	 2.5817758455	 0.0037102703	 0.2476509895	-0.089296
+O	 3.1120874457	-1.2695877055	 0.6137546373	-0.415613
+C	 1.1178672716	 0.0158467075	 0.2853182288	 0.292025
+C	-0.0835167678	-0.0242991352	 0.2783026307	-0.438528
+H	 6.0173482935	 0.6587194955	-0.0354171204	 0.131351
+H	 5.8984273159	 2.3511956946	-0.5429281852	 0.122924
+H	 4.7785275822	 1.7174133524	 0.6656626101	 0.129618
+H	 5.7978520467	 0.0793311443	-2.6620339921	 0.123638
+H	 4.3179855086	 0.6194093442	-3.4851576464	 0.127025
+H	 5.5625264095	 1.7956142353	-3.0271408251	 0.125911
+H	 2.6878301067	-0.2164714256	-1.9321742524	 0.084765
+H	 2.963375613	 0.7102272525	 0.9899613719	 0.124456
+H	 2.5737837754	-1.9436308833	 0.184698392	 0.289041
+H	-1.1455971069	-0.0398971482	 0.288481073	 0.203621
+19
+0 1195	2.4541731	1.1266387	0.9402392	2.3089	78.15	-0.25548	0.0373	0.29278	1325.9637	0.152925	-422.508722	-422.498322	-422.497378	-422.544014	38.205
+C	 3.0240891231	-0.1167428192	-3.7249058125	-0.445002
+C	 3.3757622668	 0.3057966311	-2.3168892186	 0.404874
+O	 3.1446028714	 1.668566474	-2.0563365352	-0.457842
+C	 4.5145698356	-0.3518368661	-1.5770234368	-0.368257
+C	 3.0794142276	-0.6111102434	-1.1589966257	-0.059894
+C	 2.5896727234	-0.0555604397	 0.1705878039	-0.074274
+O	 3.2362266276	-0.6663767531	 1.2873768584	-0.416689
+C	 1.1305174967	-0.1680361938	 0.2741337489	 0.311924
+C	-0.0592476974	-0.3176304427	 0.3617769673	-0.464052
+H	 3.1706632075	-1.1917984847	-3.8645641851	 0.117145
+H	 1.9795890744	 0.124239653	-3.9454356361	 0.1321
+H	 3.654912013	 0.4035660612	-4.4562109501	 0.108808
+H	 3.8298147919	 2.1749412744	-2.5058634712	 0.28399
+H	 5.0683202839	-1.1525624706	-2.0555743265	 0.108572
+H	 5.10139773	 0.2764401866	-0.9153173233	 0.121913
+H	 2.6598026876	-1.5797926832	-1.4178568353	 0.087659
+H	 2.8713664945	 0.9998471279	 0.2217906875	 0.131166
+H	 2.9136960816	-1.5724047764	 1.3482401967	 0.281175
+H	-1.1126703793	-0.4224491153	 0.4459962438	 0.196685
+19
+0 1196	2.3257659	1.3968794	0.9553955	0.5876	76.97	-0.25043	0.04306	0.29349	1243.5942	0.154352	-422.503749	-422.493853	-422.492909	-422.53899	35.648
+C	-4.2817606074	-0.494840858	 0.2463249911	-0.397868
+C	-3.1804045548	-0.5292081276	-0.8325058595	-0.197872
+C	-3.7436792432	-0.575082425	-2.1793582714	 0.338154
+C	-4.2316695358	-0.6398707837	-3.2759454644	-0.467375
+C	-2.2447638894	-1.7284485353	-0.5944547576	 0.099016
+O	-1.6158569576	-1.6589301501	 0.7056656049	-0.288095
+C	-0.3083023323	-1.4416652739	 0.1336368081	-0.116531
+C	-0.8484702994	-1.715225439	-1.2879002997	 0.079961
+O	-0.5623982694	-0.8233387317	-2.3249429518	-0.415383
+H	-3.8216233538	-0.4889166739	 1.2369227961	 0.139883
+H	-4.9045691883	 0.3957084545	 0.1326197041	 0.124041
+H	-4.926449585	-1.3747859527	 0.162557799	 0.127215
+H	-2.5861650498	 0.3908962601	-0.7256685388	 0.087378
+H	-4.6466872508	-0.6878278324	-4.2521867672	 0.197881
+H	-2.8171974095	-2.657047428	-0.7093376197	 0.088268
+H	 0.0468664951	-0.4115324622	 0.2819290072	 0.094316
+H	 0.4379352256	-2.1371720758	 0.5323673699	 0.111804
+H	-0.57048433	-2.7021621905	-1.6626130862	 0.107869
+H	-0.846201724	 0.0610983352	-2.0717413542	 0.287339
+19
+0 1197	2.8390469	1.1141306	0.8773039	1.3181	77.89	-0.24445	0.02497	0.26942	1346.9822	0.154045	-422.501855	-422.491794	-422.49085	-422.537439	35.758
+C	 5.2719380472	 0.4036092582	-2.5275579348	-0.418078
+C	 4.6214683074	 0.9357717194	-1.2611745388	-0.03601
+C	 4.2477094943	 2.434690376	-1.1975421902	-0.081774
+O	 2.8664063515	 2.124140251	-0.9040475415	-0.292376
+C	 3.1038301199	 0.7147290892	-1.0748692445	 0.137152
+C	 2.6794366918	-0.1128747533	 0.1466335792	-0.080507
+O	 3.1785301187	-1.4433655459	 0.0153710634	-0.420024
+C	 1.2315180643	-0.0818601573	 0.3457273668	 0.289814
+C	 0.0344207686	-0.0928532316	 0.4548776742	-0.432566
+H	 5.2970861959	-0.6907991136	-2.5170101097	 0.1273
+H	 4.7215717998	 0.722010372	-3.4199040706	 0.11778
+H	 6.302484577	 0.7616818786	-2.6243088529	 0.118943
+H	 5.1825701097	 0.6076051937	-0.381615154	 0.088899
+H	 4.7098276342	 3.032221756	-0.4035777893	 0.104802
+H	 4.3482360004	 2.9696697142	-2.1515908717	 0.098268
+H	 2.5936616162	 0.3232594965	-1.9684155914	 0.068262
+H	 3.1791210079	 0.3076302809	 1.0275185864	 0.118789
+H	 2.5652722726	-1.9274728441	-0.548504435	 0.289422
+H	-1.0212346274	-0.0877079899	 0.5722240644	 0.201904
+19
+0 1198	2.8680732	1.0801305	0.8576841	2.1449	77.44	-0.2463	0.02292	0.26922	1360.0716	0.154087	-422.503899	-422.493885	-422.492941	-422.539508	35.689
+C	 5.4948695982	-1.3526711269	 2.1133965677	-0.41082
+C	 4.635858888	-1.3966080846	 0.8676110517	 0.156963
+O	 4.3895993408	-2.7487200565	 0.4010175931	-0.296064
+C	 2.9644982529	-2.5380644579	 0.3836195994	-0.090325
+C	 3.1175769443	-1.1354857535	 1.0051885769	-0.056472
+C	 2.5600324659	 0.0598621195	 0.2307166891	-0.077958
+O	 3.1016994927	 1.2850156847	 0.7199959102	-0.419395
+C	 1.0941960581	 0.0620061216	 0.2387315254	 0.28785
+C	-0.1066590912	 0.0577682292	 0.2996739032	-0.435287
+H	 5.0408623883	-1.9348989774	 2.9214563395	 0.116667
+H	 6.4872439799	-1.766280536	 1.9086436297	 0.128271
+H	 5.6156288911	-0.3165631999	 2.4474516809	 0.122234
+H	 5.0946979787	-0.7922716034	 0.0716251596	 0.078997
+H	 2.5566661238	-2.5433119444	-0.6367960755	 0.1013
+H	 2.4275710104	-3.2836451622	 0.9800854226	 0.106464
+H	 2.7841580302	-1.0810555339	 2.0460246983	 0.07676
+H	 2.9109298216	-0.0033476725	-0.8073588462	 0.12153
+H	 2.6668032476	 1.4802807046	 1.5577161464	 0.286067
+H	-1.1685037914	 0.0609492993	 0.3306491382	 0.203216
+19
+0 1199	2.763487	1.1165108	0.8516797	1.5717	77.88	-0.25225	0.02314	0.27538999999999997	1347.5032	0.154828	-422.51328	-422.503528	-422.502584	-422.548024	35.95
+O	 0.7671350301	 2.6977543616	 2.5382581304	-0.427266
+C	-0.1680733597	 1.6349706963	 2.3002887798	-0.098256
+C	-1.5077369562	 1.9707624265	 2.7834954072	 0.290976
+C	-2.613208099	 2.2834437078	 3.1386590435	-0.434688
+C	-0.1538078359	 1.2606208311	 0.8209370756	 0.006104
+C	-0.7378595878	-0.0821209711	 0.3052970523	-0.258715
+C	 0.4633297084	-0.1614228363	-0.6827492452	-0.25094
+C	 1.2131493079	 0.8259222205	 0.2327555244	 0.152769
+O	 2.013425148	 1.7825790227	-0.4097750524	-0.437892
+H	 0.3367340468	 3.5192762987	 2.2754961214	 0.287555
+H	 0.2215577174	 0.7891222982	 2.8815673392	 0.114189
+H	-3.5873929451	 2.5471342275	 3.4699317792	 0.201879
+H	-0.5446373985	 2.0956267886	 0.228267148	 0.077588
+H	-0.6916005283	-0.8658956308	 1.0678293973	 0.10493
+H	-1.7442407018	-0.0645670557	-0.1143724579	 0.109596
+H	 0.9198308563	-1.1345748757	-0.8727396974	 0.10068
+H	 0.2285216744	 0.3194554704	-1.6362175579	 0.114834
+H	 1.7833088235	 0.2765756889	 0.9993747246	 0.063888
+H	 2.3200251193	 2.3887710009	 0.2742902079	 0.28277
+19
+0 1200	2.9869589	1.1658923	0.886784	0.8847	76.87	-0.25463	0.04608	0.30071000000000003	1302.2283	0.155879	-422.524585	-422.515248	-422.514304	-422.559374	33.588
+C	 5.2910495724	 3.5397361496	-3.5563865873	-0.396528
+C	 4.5968359185	 4.7633490571	-4.1829953124	-0.17729
+C	 3.9276395851	 5.5817135044	-3.1733047668	 0.324143
+C	 3.4073578871	 6.2724208308	-2.3376313333	-0.47412
+C	 5.5951246569	 5.6291518397	-4.9803103518	 0.11553
+C	 4.9528276603	 6.82793492	-5.7160747097	-0.131178
+O	 5.6004467739	 6.8342618173	-6.9800262083	-0.23168
+C	 5.835279837	 5.4816409596	-7.2568532768	 0.017353
+O	 6.1923081518	 4.8678673948	-6.0324196153	-0.265075
+H	 4.5648389083	 2.9034645144	-3.0445663932	 0.123617
+H	 5.7873932296	 2.9603608773	-4.3378253163	 0.136711
+H	 6.0409944424	 3.855276687	-2.8246072388	 0.12531
+H	 3.8430882447	 4.4055879159	-4.898624487	 0.105872
+H	 2.9343384668	 6.8739791121	-1.6013243703	 0.198544
+H	 6.3948572696	 5.9596472797	-4.3061232402	 0.093871
+H	 3.8675737356	 6.6819700229	-5.8293112937	 0.102766
+H	 5.1309908361	 7.7868579668	-5.2286667573	 0.129004
+H	 4.9309304951	 5.0012111646	-7.6744717095	 0.082224
+H	 6.6662239989	 5.3965021059	-7.9631449417	 0.120927
+19
+0 1201	3.0843805	1.1783879	0.9018912	1.6084	77.79	-0.24775	0.05633	0.30408	1300.0448	0.155514	-422.525022	-422.515566	-422.514622	-422.560378	33.781
+C	-2.3795690622	 1.6035626774	-2.7564175004	-0.397805
+C	-0.9811027787	 1.1371437729	-3.2066654206	-0.18443
+C	-0.5176338093	 1.8907246294	-4.3684484885	 0.331379
+C	-0.1621490735	 2.5388122661	-5.3159399787	-0.472598
+C	 0.033884348	 1.2522673255	-2.0554594807	 0.231606
+O	-0.4279093805	 0.4965773084	-0.9576655704	-0.25955
+C	 0.7298892965	-0.0103855214	-0.3097559366	-0.100809
+C	 1.6671707951	-0.2767177382	-1.4874745211	-0.08956
+O	 1.3025967965	 0.7316193035	-2.4235165954	-0.267725
+H	-2.7187300318	 1.0060783653	-1.9079310514	 0.135494
+H	-2.3575040479	 2.6562384097	-2.4579642645	 0.125225
+H	-3.0947621957	 1.5014169513	-3.5758282838	 0.126224
+H	-1.0235930063	 0.0711837099	-3.4645386752	 0.109138
+H	 0.1653791138	 3.0969171893	-6.1576376873	 0.193844
+H	 0.1638860933	 2.3108158383	-1.7713128247	 0.079435
+H	 1.1534870328	 0.7353086212	 0.3794815844	 0.103214
+H	 0.4494260442	-0.9030942898	 0.2530612718	 0.119713
+H	 2.7265025876	-0.1681019517	-1.236572681	 0.112826
+H	 1.5021341081	-1.2758306572	-1.9135492462	 0.10438
+19
+0 1202	2.9158466	1.190444	0.917878	1.1356	77.31	-0.24152	0.0332	0.27472	1284.0352	0.15592	-422.526592	-422.517196	-422.516251	-422.561367	34.176
+O	-1.2519340692	 0.4772534114	 0.1448880686	-0.420228
+C	-0.7981877442	 1.693503096	-0.4451594952	-0.069106
+C	-1.8644620035	 2.6926203775	-0.5042573152	 0.305048
+C	-2.7659469449	 3.4875156913	-0.4867112404	-0.442623
+C	 0.4472264387	 2.2315905926	 0.3021791125	 0.120062
+C	 1.6256248046	 1.2389111221	 0.2708902749	-0.25581
+C	 2.5003032951	 1.7847482012	-0.8694951057	-0.224361
+C	 2.2528603531	 3.2886854411	-0.7442273426	-0.058521
+O	 0.8905893109	 3.4227270376	-0.3441758618	-0.267118
+H	-1.7792953086	 0.7099935197	 0.9170565544	 0.287727
+H	-0.489617214	 1.4283556283	-1.4638308298	 0.114502
+H	-3.5549601821	 4.1984022636	-0.4939536218	 0.198927
+H	 0.1433134202	 2.4693339482	 1.3313069409	 0.071038
+H	 2.1710377109	 1.2748236707	 1.2188945701	 0.101273
+H	 1.284162302	 0.2132769451	 0.1215131276	 0.126589
+H	 3.5544920991	 1.5149493306	-0.7717964322	 0.103592
+H	 2.1475225886	 1.4218288921	-1.8406150613	 0.109604
+H	 2.9163648731	 3.7334963836	 0.0141956306	 0.090778
+H	 2.3867353602	 3.8409612575	-1.6792115537	 0.108627
+19
+0 1203	3.1202064	1.0775958	0.8484442	1.9771	76.71	-0.25077	0.02644	0.27721	1340.7507	0.156289	-422.523997	-422.514615	-422.513671	-422.559182	33.952
+O	 1.0369703324	 3.804869151	-2.0337746253	-0.422568
+C	-0.0585083008	 2.9070242163	-1.8628667879	-0.067765
+C	-1.3270536624	 3.6280253017	-1.7220874229	 0.291042
+C	-2.3471031311	 4.2447607086	-1.5640298676	-0.438354
+C	 0.1876955733	 1.9424812152	-0.6905590263	-0.00042
+C	-0.8422894005	 0.7839802389	-0.5875452827	-0.253853
+C	 0.0346327321	-0.4846536114	-0.6562080431	-0.075561
+O	 1.3327154698	-0.0797064135	-0.2520986736	-0.240278
+C	 1.5374942057	 1.1993151927	-0.8259946908	-0.100341
+H	 0.9794052174	 4.46774955	-1.3364009318	 0.285382
+H	-0.0822254485	 2.3208675958	-2.7912074619	 0.116511
+H	-3.2533876269	 4.7858905458	-1.4449656538	 0.201453
+H	 0.1804232179	 2.5292771109	 0.2337146997	 0.078927
+H	-1.389595411	 0.8356369741	 0.3557247739	 0.114013
+H	-1.5810543793	 0.8150638447	-1.3935145358	 0.109442
+H	-0.293261272	-1.2849052295	 0.0118312928	 0.10929
+H	 0.0593739441	-0.8832039065	-1.6840844159	 0.087634
+H	 2.3621339134	 1.6804720917	-0.2973924299	 0.111984
+H	 1.8173469766	 1.1122430235	-1.8896949071	 0.093459
+19
+0 1204	2.3026672	1.429693	1.2552701	1.8106	76.32	-0.25849	0.03213	0.29062	1118.4382	0.152689	-422.508472	-422.49845	-422.497506	-422.54267	37.828
+C	 3.9976400032	 1.0064404544	 0.7504263352	-0.447036
+C	 3.7318501776	-0.2849663261	 1.5456141141	 0.088914
+O	 4.6080850817	-0.3333250866	 2.6793043093	-0.456132
+C	 4.0428575665	-1.4479137498	 0.707322789	 0.376818
+C	 4.2791531878	-2.3746778156	-0.0192140535	-0.47344
+C	 2.2870875499	-0.3902202179	 2.0889972575	 0.370777
+C	 1.9494974754	-1.6859112088	 2.7922033976	-0.463735
+C	 1.2112663924	 0.4698782401	 1.5821957327	-0.227393
+O	 1.895792521	 0.8004742595	 2.798615851	-0.286647
+H	 3.6694532276	 1.8725663726	 1.3320104876	 0.130614
+H	 5.0713033412	 1.0821144426	 0.5694474957	 0.136409
+H	 3.4830543838	 1.0030488556	-0.2133377926	 0.12586
+H	 4.3306238088	 0.3905232446	 3.2555798581	 0.292617
+H	 4.496053716	-3.2008162718	-0.6506613655	 0.200198
+H	 1.8877019078	-2.5093288202	 2.0761514598	 0.13634
+H	 2.7255095571	-1.9278757578	 3.5225385115	 0.14139
+H	 0.9921591828	-1.589391212	 3.3094769761	 0.121237
+H	 1.380814723	 1.1515516366	 0.7530217362	 0.116832
+H	 0.1791863165	 0.1457514207	 1.7085984801	 0.116377
+19
+0 1205	2.2387625	1.4397359	1.3096991	1.8594	77.12	-0.25183	0.02825	0.28008	1106.5106	0.152557	-422.515059	-422.504862	-422.503918	-422.549267	38.618
+C	-1.7488303754	-0.0835021906	 0.6561605241	-0.416729
+C	-0.2134998574	-0.1743042068	 0.6456189802	 0.112176
+O	 0.2421698066	-1.1348893101	 1.5981772459	-0.454342
+C	 0.3772605222	 1.1485262485	 0.9288350915	 0.306603
+C	 0.8560489467	 2.229142293	 1.153425016	-0.488369
+C	 0.2844339395	-0.6413341213	-0.7323558958	 0.426087
+O	-0.0815439338	 0.2353005579	-1.7614871732	-0.47802
+C	 0.2543796756	-2.0916173502	-1.0894882232	-0.315967
+C	 1.582403577	-1.3878288809	-0.8619266795	-0.325727
+H	-2.1048960799	 0.31069062	 1.6130089697	 0.107607
+H	-2.0953499847	 0.5718589596	-0.1448869411	 0.14126
+H	-2.1637944668	-1.0832729108	 0.5046387243	 0.127381
+H	 0.0029628572	-0.8148764482	 2.474130011	 0.28617
+H	 1.2815350935	 3.1795076881	 1.3645745007	 0.201878
+H	 0.405032309	 1.057450987	-1.6212747191	 0.284021
+H	-0.0748785267	-2.7956053309	-0.3351991645	 0.127486
+H	-0.0264708912	-2.3272147471	-2.1094206311	 0.11925
+H	 2.1306663148	-1.6259026124	 0.0406973261	 0.130021
+H	 2.1817791939	-1.158446105	-1.735711982	 0.109215
+19
+0 1206	2.670686	1.3271823	1.1010045	1.7101	76.89	-0.252	0.03413	0.28613	1171.9482	0.154325	-422.509042	-422.499435	-422.498491	-422.543289	35.624
+C	 3.361946971	 1.8982730347	-1.6378682234	-0.426858
+C	 2.5249468688	 0.6553344393	-1.9962265446	 0.120409
+O	 3.3531935096	-0.5036930313	-2.0295938715	-0.463859
+C	 1.8963149691	 0.8101714122	-3.3099950394	 0.369548
+C	 1.3423324405	 0.9720697871	-4.3636627819	-0.475433
+C	 1.4193256166	 0.4426991453	-0.9385941083	 0.13709
+C	 0.5641108256	-0.8352022099	-1.0345732559	-0.287944
+C	 1.1219073789	-1.145085389	 0.3667934881	-0.07556
+O	 2.0169501675	-0.0038740517	 0.3071944431	-0.317212
+H	 3.7511361988	 1.7928040665	-0.6205139079	 0.130064
+H	 4.199571742	 1.9871906332	-2.3324590504	 0.133443
+H	 2.7590499461	 2.8092099606	-1.6898253399	 0.121411
+H	 3.5565415096	-0.6786447755	-1.0993851075	 0.286118
+H	 0.8670673283	 1.1069282013	-5.3039643307	 0.19919
+H	 0.8516956084	 1.370507922	-0.7983592437	 0.083137
+H	-0.5132052643	-0.690617374	-1.1114966217	 0.111901
+H	 0.9080014455	-1.5166959981	-1.8123582896	 0.134624
+H	 0.4036196163	-1.038370196	 1.1881524461	 0.108903
+H	 1.6699059816	-2.0853057167	 0.4880464191	 0.111026
+19
+0 1207	2.6154454	1.2799358	1.0635269	2.0528	76.58	-0.24638	0.02921	0.27559	1194.5881	0.153873	-422.502458	-422.492554	-422.49161	-422.537321	35.969
+C	-0.9392312612	 1.1878143286	-3.0330546697	-0.402416
+C	-1.0886651446	 1.3644232986	-1.5158859357	 0.117555
+O	-1.8771661436	 0.2535286688	-1.0788590857	-0.442058
+C	-1.7736468485	 2.6280787259	-1.2007220322	 0.320172
+C	-2.3249787628	 3.6537823466	-0.900809233	-0.479689
+C	 0.2959414227	 1.3643319302	-0.8334452534	-0.023991
+C	 1.0231352558	 0.0045343808	-0.7301285313	-0.097123
+O	 1.0406785874	 0.076512435	 0.7113598313	-0.271237
+C	 0.3371385468	 1.3314661967	 0.7089948854	-0.097543
+H	-0.4402968069	 0.2372622806	-3.2421469953	 0.129238
+H	-1.9242825524	 1.1739124782	-3.5034102566	 0.136413
+H	-0.3508490882	 2.0024425708	-3.4615381411	 0.124542
+H	-2.1885245691	 0.4369276593	-0.1861010935	 0.290132
+H	-2.8197259202	 4.5598957296	-0.6501910868	 0.202653
+H	 0.9009562011	 2.1646672218	-1.2644415553	 0.089518
+H	 0.4438529316	-0.8538109974	-1.087155106	 0.116354
+H	 2.0350720655	-0.0307374373	-1.1503304979	 0.097199
+H	-0.6377769657	 1.2617238674	 1.2123862221	 0.085229
+H	 0.9127337522	 2.1316802059	 1.1889185348	 0.105055
+19
+0 1208	3.7435108	0.6800248	0.6764557	1.447	82.76	-0.25347	0.01719	0.27065999999999996	1757.2705	0.153136	-422.505544	-422.495037	-422.494092	-422.542916	37.045
+C	-4.4253767175	-0.4723383363	 0.9517854025	-0.383956
+C	-3.2714850361	-1.4788655193	 0.8480094509	 0.163613
+C	-3.3697109493	-2.3012410455	-0.4506929131	-0.399742
+O	-3.4181646635	-2.3370833697	 1.985407192	-0.439614
+C	-1.9737190365	-0.7848753495	 0.8999858417	 0.169356
+C	-0.8918868572	-0.2541868749	 0.9392758488	-0.003362
+C	 0.3895457857	 0.3907468598	 1.0285036931	-0.119387
+C	 1.0214657188	 1.0314093128	-0.1425857132	-0.15918
+O	 1.49379111	-0.2196637442	 0.3365935472	-0.214992
+H	-4.3480693657	 0.0918187919	 1.8835391688	 0.13197
+H	-4.4073035832	 0.2251750456	 0.1111862776	 0.120853
+H	-5.3755133048	-1.013824208	 0.9480181316	 0.124083
+H	-2.5535482572	-3.0279314672	-0.5079747502	 0.117951
+H	-4.3213636306	-2.8398021941	-0.4639826011	 0.123627
+H	-3.3100573437	-1.6563068333	-1.331939374	 0.122979
+H	-2.643414847	-2.9088619651	 2.0210164376	 0.282399
+H	 0.6522808858	 0.7752176826	 2.0134722052	 0.11907
+H	 0.503414342	 1.0041949818	-1.0992891477	 0.12388
+H	 1.6851508401	 1.8811640528	 0.0131029923	 0.120453
+19
+0 1209	3.7067048	0.6150817	0.5976314	2.9274	82.25	-0.24793	-0.02843	0.2195	1910.8668	0.151697	-422.541589	-422.530412	-422.529467	-422.580428	38.397
+C	-0.0004510914	 0.048213118	 0.1261243997	-0.403663
+C	 1.5348669655	-0.077930017	 0.0931871029	 0.150349
+C	 2.0868771962	-0.4686769156	 1.4776817669	-0.404015
+O	 2.1188156199	 1.1602081446	-0.333701323	-0.453154
+C	 1.928554444	-1.0831600451	-0.9019546695	 0.19517
+C	 2.2166392856	-1.9312210593	-1.705907738	-0.026639
+C	 2.6233610658	-2.966200692	-2.6448318563	-0.415625
+C	 3.8239433954	-3.770122697	-2.1396883135	 0.172419
+O	 3.9472006682	-4.9536940078	-2.2983075691	-0.231188
+H	-0.2956257346	 0.797568505	 0.869989804	 0.104716
+H	-0.3703492325	 0.3606084897	-0.8527359486	 0.13462
+H	-0.4697586295	-0.90207074	 0.3948973615	 0.126388
+H	 1.6960514585	-1.4373838361	 1.8008520577	 0.126542
+H	 3.1772073177	-0.5211539524	 1.4435959167	 0.133078
+H	 1.794164588	 0.2829887476	 2.2201595189	 0.104798
+H	 1.8635978639	 1.828588576	 0.3123718009	 0.2782
+H	 1.8135747504	-3.6663953089	-2.8745359732	 0.153701
+H	 2.92921335	-2.5075479336	-3.59794393	 0.159
+H	 4.5923621588	-3.1601086762	-1.6171662881	 0.095303
+19
+0 1210	2.3473362	1.2967307	1.0960999	1.6461	77.21	-0.23761	-0.02723	0.21037999999999998	1205.9637	0.152076	-422.55106	-422.540466	-422.539522	-422.586628	38.622
+C	-3.6034340717	 2.6466104997	-0.7295397631	-0.42151
+C	-2.0806132419	 2.5739412294	-0.9309626878	 0.245932
+C	-1.4309114193	 3.9525071977	-0.7658793186	-0.388911
+O	-1.7508689468	 2.1378078421	-2.2430819659	-0.463721
+C	-1.4911200929	 1.6333819218	 0.1470436605	 0.36464
+O	-1.570395268	 1.8932801289	 1.3213538367	-0.312465
+C	-0.777922983	 0.3514702124	-0.3352476396	-0.423271
+C	-1.6870185414	-0.5471501702	-1.0358547632	 0.276649
+C	-2.4704084329	-1.2623495116	-1.6043907162	-0.4539
+H	-3.8400209546	 2.9791920049	 0.2838164355	 0.140538
+H	-4.0334722161	 3.346638154	-1.451252809	 0.123599
+H	-4.0626210668	 1.6637877819	-0.8808104206	 0.120439
+H	-1.5695887248	 4.315138342	 0.2539874565	 0.138304
+H	-0.3595531411	 3.8962395363	-0.9793829136	 0.122466
+H	-1.8823281924	 4.6556656692	-1.4706747201	 0.12291
+H	-2.2264575312	 1.3171136019	-2.4213476357	 0.285874
+H	 0.0365174673	 0.6442020562	-1.0083371376	 0.161059
+H	-0.3531419477	-0.1332698217	 0.5478455424	 0.152309
+H	-3.1420830348	-1.9206765647	-2.0982876005	 0.209059
+19
+0 1211	1.7450509	1.6661411	1.0482092	2.9227	78.1	-0.24696	-0.02762	0.21934	1210.6617	0.151398	-422.54246	-422.531623	-422.530679	-422.578155	39.008
+C	 2.4561406855	-2.52907784	 0.5049173556	-0.42579
+C	 3.1315326646	-1.2002286235	 0.8585206144	 0.331617
+C	 4.6482199868	-1.2889226235	 0.6402562136	-0.42431
+O	 2.8444023077	-0.8391408672	 2.2129034387	-0.461354
+C	 2.535738225	-0.0207479117	 0.0164915838	-0.267682
+C	 3.0446566392	 1.3175642186	 0.5832580442	 0.17389
+O	 4.0305358723	 1.8722873226	 0.1770548397	-0.260356
+C	 1.078948058	 0.0037818506	-0.0123625146	 0.315554
+C	-0.1196359886	 0.0934728768	-0.033594447	-0.437278
+H	 2.8940488569	-3.3375111939	 1.1019571892	 0.105247
+H	 1.385458973	-2.4820975483	 0.7109589079	 0.142011
+H	 2.6001558396	-2.7813748182	-0.5504888563	 0.119931
+H	 5.0674563553	-2.0585570892	 1.2982552451	 0.103971
+H	 4.8837493042	-1.5714724168	-0.3905671257	 0.1202
+H	 5.1405816949	-0.3397184789	 0.8581316395	 0.148394
+H	 3.2031627244	-1.5248752693	 2.7859264236	 0.281943
+H	 2.9316467129	-0.1070150013	-1.0011930314	 0.122489
+H	 2.4249191032	 1.7321383103	 1.4014474067	 0.11153
+H	-1.1795579049	 0.1564182729	-0.0581407469	 0.199992
+19
+0 1212	2.1349466	1.5749909	1.2223582	1.3601	77.11	-0.26058	0.01765	0.27823	1114.856	0.152618	-422.513685	-422.503692	-422.502747	-422.547732	37.75
+C	 1.9896192599	-0.1472029254	-1.7371761127	-0.430474
+C	 3.4372765807	-0.6380858773	-1.5874641242	 0.243344
+C	 3.5274914844	-2.1624599681	-1.6400774833	-0.405473
+O	 4.228619953	-0.1461785044	-2.6602328987	-0.462927
+C	 4.0326580387	-0.1080829796	-0.2607184857	 0.206653
+C	 5.4725905102	 0.2040987698	-0.1848059153	-0.225205
+O	 4.5110136451	 1.2516498915	-0.3623530004	-0.300359
+C	 3.3222410835	-0.4284178477	 0.9536652656	 0.262452
+C	 2.721387302	-0.7234021264	 1.9523637622	-0.379349
+H	 1.3480696664	-0.5404926459	-0.9445565914	 0.127833
+H	 1.9511883061	 0.946411635	-1.6930286753	 0.121139
+H	 1.59703306	-0.4680036368	-2.7054532452	 0.122046
+H	 2.9692821491	-2.614423845	-0.8165334143	 0.127726
+H	 3.1127601488	-2.523051254	-2.5852779931	 0.12587
+H	 4.570469138	-2.4849042051	-1.5782406934	 0.121232
+H	 4.2940823243	 0.8094960014	-2.5300722829	 0.286949
+H	 5.9640462447	 0.1910891286	 0.7851848957	 0.126142
+H	 6.0915152187	-0.0052461746	-1.0527442711	 0.134266
+H	 2.1932334665	-0.974399476	 2.8392064833	 0.198134
+19
+0 1213	3.4264283	0.9495346	0.8976361	1.4577	79.12	-0.25846	0.01508	0.27354	1378.7764	0.152702	-422.512649	-422.502573	-422.501629	-422.547159	37.452
+C	 2.9107724716	 1.2043756482	 1.9202097185	-0.420334
+C	 3.0165262816	-0.3263890395	 2.0207271984	 0.315575
+C	 2.1360036286	-1.0196831326	 0.9814991776	-0.3995
+O	 4.3547716658	-0.740786338	 1.7695933776	-0.464871
+C	 2.6142902985	-0.760428956	 3.4296450493	 0.037594
+O	 3.6464843734	-0.6557371462	 4.4108065934	-0.269564
+C	 3.173060362	-1.9776478504	 4.048037657	-0.192209
+C	 2.4603459762	-2.7154205242	 5.0534917441	 0.307738
+C	 1.869096029	-3.3545038301	 5.8820897024	-0.373966
+H	 3.5300676935	 1.6822441287	 2.6865127284	 0.123765
+H	 3.2605626115	 1.5336302345	 0.9382991034	 0.125632
+H	 1.879242514	 1.5455385362	 2.0568090718	 0.113357
+H	 1.0815578463	-0.7684334797	 1.1303469831	 0.115968
+H	 2.4276145211	-0.7024843377	-0.0235467759	 0.128574
+H	 2.2504744977	-2.1048805649	 1.0461375615	 0.125938
+H	 4.8701751704	-0.4643584018	 2.5395796521	 0.287318
+H	 1.635501479	-0.424295448	 3.7722774158	 0.104092
+H	 3.891013666	-2.5413724674	 3.456886	 0.132809
+H	 1.3483244739	-3.917178111	 6.6171328916	 0.202085
+19
+0 1214	3.6975357	0.7106212	0.6839176	3.4784	83.49	-0.26883	-0.0644	0.20443	1701.2366	0.152486	-422.546794	-422.535933	-422.534988	-422.583809	37.861
+C	 0.5651867605	-1.4269802349	 1.3558738849	-0.398175
+C	 1.6779206664	-2.3527296174	 0.8642104979	 0.345001
+C	 1.1011728292	-3.6186960313	 0.2170009304	-0.417928
+O	 2.4405494269	-2.6835221514	 2.0177130487	-0.456793
+C	 2.5811507052	-1.5753500723	-0.1440677513	-0.375082
+C	 3.7685672183	-2.3216908846	-0.5260149975	 0.042541
+C	 4.7466750206	-2.983018406	-0.7890335798	 0.065295
+C	 5.9199989805	-3.7406539817	-1.1376412064	 0.023961
+O	 6.2948479151	-4.7292436702	-0.5487597892	-0.231555
+H	-0.0686704521	-1.9560621077	 2.0721349274	 0.127708
+H	 0.9906106829	-0.554288544	 1.8594302159	 0.123874
+H	-0.0591330546	-1.0854952732	 0.5249725782	 0.1125
+H	 0.5108817213	-4.1706345716	 0.9530617694	 0.128257
+H	 0.4567867926	-3.3758108145	-0.6343955949	 0.113036
+H	 1.9018815953	-4.2734875155	-0.1421734965	 0.125654
+H	 3.1580977056	-3.2669056906	 1.7417900473	 0.287935
+H	 2.0079165192	-1.3041404241	-1.039257075	 0.136038
+H	 2.89632835	-0.6375341171	 0.32957529	 0.146727
+H	 6.4745902571	-3.3432302218	-2.0117602395	 0.101005
+19
+0 1215	3.03932	1.0326579	0.93187	1.9668	80.03	-0.27099	-0.03728	0.23371	1348.1646	0.152344	-422.559917	-422.549452	-422.548507	-422.595005	37.985
+C	 1.6283691032	 0.7488284114	 2.1776848515	-0.418988
+C	 0.6182222596	 0.0851390146	 1.2376105041	 0.368207
+C	 0.3316212439	 0.9754883994	 0.0278455508	-0.404763
+C	-0.679718872	-0.2983171889	 1.953808191	-0.418987
+O	 1.2208691609	-1.1104760907	 0.6172030875	-0.283441
+C	 1.6214111821	-2.1506888031	 1.35689425	 0.284144
+O	 1.5542120133	-2.2584868192	 2.5581519261	-0.366725
+C	 2.1734985803	-3.1849700668	 0.5012084631	 0.24122
+C	 2.6410760081	-4.0752851528	-0.1564130196	-0.359177
+H	 1.8405345604	 0.1176275736	 3.0404580574	 0.152905
+H	 2.5636901851	 0.9541852881	 1.6483817059	 0.12063
+H	 1.2219853847	 1.7018442506	 2.5301659009	 0.116351
+H	-0.3527592886	 0.4779133625	-0.6646261376	 0.124697
+H	-0.1257892402	 1.9138885102	 0.3539719745	 0.11868
+H	 1.2556398317	 1.2076709029	-0.5085834281	 0.124697
+H	-0.483174512	-0.9366447626	 2.8150330349	 0.152875
+H	-1.185101639	 0.6097694156	 2.2967403793	 0.116371
+H	-1.3525868599	-0.822493966	 1.2685021932	 0.120638
+H	 3.0549983783	-4.8629928889	-0.737174845	 0.210666
+19
+0 1216	2.5897411	1.1461778	0.9683182	3.4484	78.7	-0.25898	-0.05952	0.19945999999999997	1295.2557	0.152063	-422.54502	-422.534356	-422.533412	-422.580789	38.522
+C	 0.7660295092	 2.6798921473	-1.2209717693	-0.419959
+C	 1.8352834371	 2.28576366	-2.2480596645	 0.349007
+C	 2.4521785873	 3.5262498984	-2.8964082625	-0.390351
+O	 1.238726611	 1.5560066901	-3.3235031627	-0.455175
+C	 2.922696849	 1.411442214	-1.5544709375	-0.346416
+C	 3.869910098	 0.7791295909	-2.5606392166	 0.274831
+O	 4.8732966125	 1.3319256428	-2.9572459195	-0.291058
+C	 3.5001939214	-0.54528964	-3.0367479144	 0.283837
+C	 3.2072483021	-1.655920324	-3.3983485528	-0.460521
+H	 1.1967279578	 3.2541642322	-0.394561782	 0.118657
+H	-0.0047732056	 3.2880899283	-1.702540963	 0.126693
+H	 0.2857964037	 1.79039387	-0.7964788652	 0.104165
+H	 2.8797500835	 4.1874687978	-2.1376351017	 0.11349
+H	 3.2428734297	 3.2505359801	-3.5966084105	 0.145782
+H	 1.6776631981	 4.0725729264	-3.4414694958	 0.122069
+H	 0.8421532024	 0.7535984484	-2.966479607	 0.278037
+H	 3.5153705416	 2.031845082	-0.875982222	 0.127717
+H	 2.4320126622	 0.6248754779	-0.9697988843	 0.102824
+H	 2.9642115092	-2.6330207026	-3.7395008987	 0.216371
+19
+0 1217	2.1709629	1.5011669	1.0911212	1.8229	76.37	-0.2539	0.04805	0.30195	1172.9559	0.153176	-422.510027	-422.500062	-422.499118	-422.544624	36.798
+C	 4.7154328562	 1.3612428755	-0.013749389	-0.40845
+C	 3.1885492286	 1.3959825593	 0.0535459797	 0.305027
+O	 2.837150318	 2.1113724658	 1.2215743755	-0.465308
+C	 2.6382600922	-0.0595677274	 0.1305423615	-0.384085
+C	 1.1920454845	-0.1289902261	 0.2933906148	 0.294746
+C	-0.0004574257	-0.1687512832	 0.4381380786	-0.434189
+C	 2.6268998882	 2.1149457621	-1.1749787645	 0.065229
+C	 2.5652394647	 3.5787987478	-1.2293145418	-0.188057
+O	 1.3874784603	 2.7966625606	-0.9785803277	-0.243795
+H	 5.1192665135	 0.8554758644	 0.8677895189	 0.128729
+H	 5.0590827375	 0.8300769524	-0.9067700924	 0.114502
+H	 5.1130341089	 2.3786262008	-0.0375292787	 0.126277
+H	 1.8897080593	 2.2948286718	 1.1472935832	 0.295461
+H	 2.9406495066	-0.6119418685	-0.7684818409	 0.123162
+H	 3.1250569478	-0.5490846252	 0.9820994664	 0.135179
+H	-1.0549752011	-0.2061325869	 0.5562737913	 0.197151
+H	 2.6913090252	 1.5618391634	-2.1130386214	 0.092737
+H	 2.9218483473	 4.1515572513	-0.3769723583	 0.128854
+H	 2.5865145581	 4.0850550421	-2.1923699252	 0.11683
+19
+0 1218	2.5402404	1.2004679	1.0354432	2.9841	77.18	-0.26055	0.04551	0.30606	1248.6864	0.153634	-422.505884	-422.496051	-422.495107	-422.540386	36.535
+C	 2.2341685748	 2.3189848085	-2.252898084	-0.399196
+C	 1.9369425793	 0.8381700205	-1.9831445133	 0.16533
+O	 1.7359509346	 0.2402134436	-3.2588435644	-0.449687
+C	 3.1409555981	 0.1627127384	-1.2725899963	-0.268939
+C	 2.8702227684	-1.2724384261	-0.8824164375	 0.081295
+C	 3.7658333592	-2.3696493296	-1.2685109616	-0.183257
+O	 2.5293836256	-2.1696009214	-1.9600277119	-0.245266
+C	 0.7238978295	 0.716632861	-1.1492241789	 0.363454
+C	-0.2601554024	 0.6152506693	-0.4656815891	-0.518319
+H	 2.3517918467	 2.8719921291	-1.3176924122	 0.118902
+H	 3.1504466645	 2.4047566919	-2.843804878	 0.119264
+H	 1.4110847466	 2.7577464933	-2.8210671291	 0.136725
+H	 1.795649	-0.7184296562	-3.1431012606	 0.299017
+H	 3.9863087664	 0.2139439802	-1.9667302927	 0.110259
+H	 3.4054166798	 0.7284765769	-0.3723845531	 0.112036
+H	 2.2410438891	-1.4106855195	-0.0048911908	 0.115709
+H	 4.6638241852	-2.1489359513	-1.843533208	 0.121978
+H	 3.8098126923	-3.2741940703	-0.6647788804	 0.123203
+H	-1.1400368377	 0.5247407815	 0.1224347018	 0.197492
+19
+0 1219	1.9930399	1.4760917	1.1074127	1.9672	77.12	-0.26296	0.00811	0.27107000000000003	1191.2096	0.152833	-422.56124	-422.550949	-422.550005	-422.596187	37.338
+C	 2.654498524	 0.9912029001	 2.4036088947	-0.407875
+C	 3.1792927913	-0.0782905076	 1.4474912091	 0.351248
+C	 4.7088119569	-0.0618736358	 1.3825201373	-0.430483
+C	 2.5739681212	 0.0871244198	 0.0290991306	-0.390818
+C	 1.1204640654	-0.0001711986	-0.0146882257	 0.310269
+C	-0.0782396541	-0.0798058464	-0.0512572354	-0.44868
+O	 2.7142085388	-1.3286668924	 2.0568083086	-0.245941
+C	 2.9495353816	-2.5113222762	 1.4833091906	 0.196893
+O	 3.5439335383	-2.7311861311	 0.4611318306	-0.316591
+H	 3.0563524689	 0.8305080782	 3.407356159	 0.124002
+H	 2.9613309328	 1.9839372885	 2.0617201328	 0.117608
+H	 1.5640479048	 0.959522018	 2.4522673994	 0.14225
+H	 5.1277228343	-0.2355651192	 2.3777402639	 0.122543
+H	 5.0854336542	-0.8263148956	 0.7025803151	 0.152903
+H	 5.0509026582	 0.9186450689	 1.0374068041	 0.118886
+H	 2.8968237475	 1.0658528171	-0.347377747	 0.130214
+H	 3.009079852	-0.6696068026	-0.6285351359	 0.165383
+H	-1.1369804452	-0.1503080853	-0.0910146903	 0.196882
+H	 2.4983516292	-3.2919332298	 2.1170111284	 0.111308
+19
+0 1220	2.5473083	1.0118318	0.8674171	3.3775	78.09	-0.24264	-0.01822	0.22442	1387.2057	0.151666	-422.542233	-422.531466	-422.530522	-422.578506	38.301
+C	 4.6682556102	 0.7528131832	 1.0619965604	-0.424742
+C	 3.1487051724	 0.7016352813	 1.2725055771	 0.311484
+O	 2.8331852279	-0.0313407726	 2.4538517547	-0.4509
+C	 2.5651090098	 2.1094159362	 1.5012628845	-0.279449
+C	 3.1114619437	 2.7912082617	 2.7372082129	 0.149871
+O	 3.598383357	 3.8944185358	 2.7417734592	-0.251567
+C	 2.483968647	 0.0358397799	 0.0332966965	-0.39796
+C	 1.0384276282	-0.107337013	 0.1327692607	 0.318823
+C	-0.1557238496	-0.2195860224	 0.2088362061	-0.438586
+H	 5.1616169587	 1.1856388588	 1.9361099081	 0.137761
+H	 5.070447424	-0.2554800332	 0.9081615008	 0.108344
+H	 4.9315942012	 1.3553912618	 0.1873571503	 0.127305
+H	 3.2261718016	-0.9079069279	 2.3833226443	 0.282082
+H	 2.7494136613	 2.7518188623	 0.6361892218	 0.114767
+H	 1.4808290714	 1.9996828889	 1.6322514588	 0.141039
+H	 3.0208307201	 2.1960453488	 3.6692872034	 0.098168
+H	 2.7400760791	 0.6152697758	-0.8626698326	 0.134727
+H	 2.9417886258	-0.9536766753	-0.1050790254	 0.119852
+H	-1.2103239697	-0.32315974	 0.2773349284	 0.19898
+19
+0 1221	3.3276833	0.9274709	0.8811521	2.5654	77.39	-0.2534	-0.02714	0.22626000000000002	1382.734	0.151284	-422.520699	-422.509892	-422.508948	-422.557476	38.011
+C	-3.9861739922	 0.6004502164	-1.0815324638	-0.422894
+C	-3.0210684484	 1.3641879036	-0.1679059565	 0.264011
+C	-3.1199686801	 0.8843563997	 1.2915113423	-0.424117
+O	-1.6798724947	 1.3635776396	-0.6698039983	-0.279451
+C	-0.9718319846	 0.1354434022	-0.7000235413	-0.246142
+C	-0.1987792274	-0.1354644031	 0.5149815466	 0.329715
+C	 0.4600910484	-0.3586635853	 1.4949513122	-0.463392
+C	-3.3766008916	 2.8569578535	-0.1720280948	 0.144041
+O	-4.4999229605	 3.2815885993	-0.1172242251	-0.258667
+H	-3.8772599463	-0.4826982968	-0.9745100237	 0.11516
+H	-5.0120421021	 0.8697571034	-0.8197129532	 0.146151
+H	-3.8134285095	 0.8714715092	-2.1267077875	 0.126666
+H	-2.8681147607	-0.176243271	 1.3741995651	 0.128298
+H	-2.4375858084	 1.4451870803	 1.9356304569	 0.133764
+H	-4.1432291164	 1.0274967058	 1.6491876303	 0.135828
+H	-1.6384143792	-0.7106691652	-0.9118803786	 0.126353
+H	-0.2823464296	 0.2112265813	-1.5489323627	 0.143434
+H	 1.0384793362	-0.5573676736	 2.3633773044	 0.204453
+H	-2.4855854731	 3.5200108107	-0.2037997123	 0.096789
+19
+0 1222	2.7530515	0.8702842	0.769445	1.3517	78.23	-0.25033	-0.03507	0.21526	1522.0453	0.152009	-422.539692	-422.528913	-422.527969	-422.576204	38.165
+C	-1.8340589979	 1.7408621315	-2.6027323506	-0.417887
+C	-1.2424876057	 2.2182466671	-1.2719998121	 0.242841
+O	 0.1690334928	 2.3129246844	-1.4932626819	-0.457148
+C	-1.5771174907	 1.3101916318	-0.0813897427	-0.2132
+C	-1.0683942742	-0.1361706395	-0.2440816528	-0.377423
+C	-1.2447436634	-0.9250483786	 0.9685859972	 0.287283
+C	-1.3995686279	-1.5532399042	 1.9815253557	-0.426634
+C	-1.7559614066	 3.64358462	-1.0286494333	 0.125751
+O	-2.5541163745	 3.9686651366	-0.1902851291	-0.249087
+H	-1.3554746834	 0.8083049471	-2.9116812423	 0.139821
+H	-2.9118592296	 1.5809753381	-2.5143174072	 0.133041
+H	-1.6508782008	 2.4813248904	-3.3871530886	 0.12956
+H	 0.5875581577	 2.5719405264	-0.663982537	 0.287402
+H	-1.1366117793	 1.7455651443	 0.8237269277	 0.109214
+H	-2.657698215	 1.3189305669	 0.0849013644	 0.131022
+H	-1.5913563245	-0.6288169053	-1.0725174687	 0.13341
+H	-0.0083685523	-0.1137451142	-0.5238031525	 0.138335
+H	-1.5322492882	-2.1188813602	 2.8700960845	 0.194412
+H	-1.2884976166	 4.3822356272	-1.7200896807	 0.089286
+19
+0 1223	2.3470148	1.1407639	0.9977721	2.1449	77.83	-0.26676	0.00985	0.27661	1300.3917	0.153183	-422.555964	-422.545492	-422.544548	-422.592198	37.109
+C	-1.8765922989	 1.948507005	-1.4845798711	-0.402941
+C	-1.7953332131	 1.5260436158	-0.0011129846	 0.039357
+C	-2.5821809126	 2.5226173435	 0.880186291	-0.412932
+C	-0.3283817378	 1.5351950194	 0.4777316058	-0.088622
+O	 0.4607290461	 0.6474838037	-0.3340176529	-0.212063
+C	 1.1720700413	-0.30475437	 0.2926963362	 0.192748
+O	 1.26874601	-0.4706365798	 1.4759481705	-0.298676
+C	-2.3505880561	 0.1788294759	 0.1641674699	 0.368216
+C	-2.811275456	-0.9227118066	 0.3022986831	-0.509996
+H	-1.293958128	 1.2718176553	-2.1121585654	 0.138999
+H	-2.9139247204	 1.9350277347	-1.8286269335	 0.125075
+H	-1.4843807922	 2.963734168	-1.6082915153	 0.11135
+H	-2.5434513498	 2.2344567921	 1.934288745	 0.130952
+H	-2.1674972927	 3.531121128	 0.7781176436	 0.11586
+H	-3.6309523329	 2.5510599804	 0.5745930101	 0.131163
+H	 0.0914591248	 2.539263791	 0.3560333478	 0.114391
+H	-0.249013225	 1.2303921541	 1.5220665938	 0.147878
+H	 1.6716283997	-0.916942297	-0.4734336134	 0.109618
+H	-3.2151441363	-1.8968529735	 0.4285710395	 0.199622
+19
+0 1224	2.5973996	0.9225002	0.8210894	3.0966	78.71	-0.25443	-0.02564	0.22879	1475.3858	0.150991	-422.524057	-422.513179	-422.512235	-422.560618	38.085
+C	-1.4199212026	 3.0255546412	-1.2867713397	-0.414014
+C	-1.5013260185	 2.1958676449	 0.0080141794	 0.182783
+C	-1.8682217531	 3.0864485879	 1.2030907376	-0.405017
+O	-0.2183375432	 1.6509802312	 0.3527428182	-0.276756
+C	 0.3427039417	 0.7050900456	-0.5279843379	-0.163012
+C	 1.466839063	-0.0006887853	 0.2097713421	 0.14738
+O	 2.3076911243	-0.6663163516	-0.3332249227	-0.240429
+C	-2.4958143751	 1.1189479741	-0.1421068178	 0.354404
+C	-3.3090724106	 0.2423536368	-0.2677667688	-0.511834
+H	-1.1872228974	 2.3992392701	-2.15115263	 0.128963
+H	-2.3764253854	 3.5180171364	-1.4793754869	 0.130164
+H	-0.643017865	 3.7882212511	-1.1801872313	 0.125969
+H	-1.8946055379	 2.4914338142	 2.11811205	 0.134619
+H	-1.1148766769	 3.8709870585	 1.3141844398	 0.125219
+H	-2.8468915706	 3.5471853583	 1.0511516518	 0.12632
+H	-0.3952451405	-0.0576072613	-0.8253705487	 0.133846
+H	 0.7455588428	 1.155998924	-1.4455088521	 0.123158
+H	 1.4318614781	 0.142416242	 1.3123318131	 0.092883
+H	-4.0303532533	-0.5306553879	-0.3730232162	 0.205354
+19
+0 1225	2.6504245	0.8680501	0.7646558	3.6438	78.68	-0.24587	-0.01614	0.22973	1535.1416	0.15182	-422.539667	-422.52882	-422.527875	-422.576207	38.227
+C	-3.0657617521	 0.0668587176	-1.9604217162	-0.411767
+C	-1.9106148793	-0.8366298259	-1.4917323971	 0.161492
+O	-1.3842641203	-1.5736639156	-2.6017984265	-0.442673
+C	-0.7360687891	 0.0202741119	-0.9747420921	-0.205533
+C	 0.4687318286	-0.8082660355	-0.5057035833	-0.28176
+C	 1.6831190207	 0.055047129	-0.2646346704	 0.155926
+O	 2.3242780308	 0.0847444005	 0.7540611865	-0.240175
+C	-2.3931102677	-1.76051978	-0.4527113684	 0.335357
+C	-2.8181075624	-2.5303201037	 0.3672984069	-0.501796
+H	-3.452740994	 0.6716682595	-1.1355303671	 0.128101
+H	-2.7095889903	 0.7277470222	-2.7553877889	 0.125889
+H	-3.8879978684	-0.5397167417	-2.3510357388	 0.118827
+H	-2.0134463849	-2.2691964898	-2.8204351506	 0.287521
+H	-0.4371587204	 0.6756952399	-1.8018973517	 0.110826
+H	-1.0980561572	 0.66028269	-0.1639362287	 0.117934
+H	 0.2444731671	-1.3713431183	 0.4031771629	 0.128686
+H	 0.7189313153	-1.5205422236	-1.3030682354	 0.139728
+H	 1.9669664939	 0.6947057203	-1.1351141163	 0.067727
+H	-3.1807206705	-3.2092840667	 1.0996692451	 0.20569
+19
+0 1226	2.9696288	0.687829	0.6026402	3.9017	83.36	-0.24316	-0.03323	0.20992999999999998	1879.7493	0.152523	-422.535557	-422.524278	-422.523333	-422.574404	37.932
+C	 1.9840834105	-0.799773912	 1.3415843141	-0.375995
+C	 1.5408586666	-0.056069951	 0.0656270902	-0.126831
+C	 0.0090967892	 0.1156612361	 0.0155546878	-0.376638
+C	 2.0294017847	-0.7390394589	-1.1323609324	 0.102014
+C	 2.4235835008	-1.3425249814	-2.1000130842	-0.01754
+C	 2.9011607087	-1.9805823196	-3.3213864683	-0.081897
+O	 1.8875942204	-2.1306573063	-4.3103677982	-0.416079
+C	 4.0457459303	-1.1320020301	-3.9072737351	 0.160739
+O	 5.2088185505	-1.4147485409	-3.8344731948	-0.231007
+H	 1.5478562933	-1.8026571046	 1.3737602506	 0.12846
+H	 3.0715573369	-0.9005461338	 1.3813427277	 0.130525
+H	 1.6538096235	-0.2515886847	 2.2293533729	 0.1172
+H	 1.9911502186	 0.9460984025	 0.0855885331	 0.111689
+H	-0.3357567709	 0.6624357336	 0.8984509093	 0.119055
+H	-0.2983025591	 0.6699428021	-0.8751698534	 0.122104
+H	-0.4875115443	-0.8591546783	-0.0010961237	 0.129019
+H	 3.3048308703	-2.9779155492	-3.1164239083	 0.134547
+H	 1.253427972	-1.4157645099	-4.1912957593	 0.29276
+H	 3.6782235379	-0.2204241134	-4.4312036582	 0.077875
+19
+0 1227	2.9791527	0.6825122	0.5994302	2.5069	82.83	-0.25055	-0.0318	0.21875	1862.3855	0.152794	-422.539107	-422.527943	-422.526999	-422.578209	37.721
+C	-0.05531893	 0.2054271409	 0.5238804438	-0.371378
+C	 1.1580807915	-0.2428356188	-0.2921952322	-0.020417
+O	 1.5316927537	-1.5276998007	 0.2011528253	-0.417031
+C	 2.2692449398	 0.7129210179	-0.2114875509	 0.082947
+C	 3.2051306128	 1.4722462238	-0.1724033544	 0.017109
+C	 4.3356960025	 2.3872920965	-0.0582803091	-0.215688
+C	 3.8818459016	 3.8669457441	-0.0243591883	-0.397287
+C	 5.1090177746	 2.0829886021	 1.2296793784	 0.173733
+O	 6.3004580177	 1.9457834614	 1.283537235	-0.240877
+H	 0.2193069028	 0.3090483108	 1.5763751092	 0.132822
+H	-0.4314124158	 1.1637565487	 0.1577343698	 0.122561
+H	-0.8449567773	-0.5454759379	 0.4384581533	 0.128058
+H	 0.8562245699	-0.3208868357	-1.3500926247	 0.096041
+H	 2.370028853	-1.767641327	-0.2071025123	 0.287882
+H	 5.0365874781	 2.2423050721	-0.8878461652	 0.123917
+H	 3.2471201167	 4.0583025046	 0.8458985093	 0.133609
+H	 4.7521632825	 4.5272150789	 0.0216013098	 0.135051
+H	 3.305892056	 4.1025904282	-0.9221598338	 0.138835
+H	 4.4645822698	 2.01952487	 2.1347214569	 0.090114
+19
+0 1228	3.4568447	0.6898962	0.6780586	0.6691	82.35	-0.25419	0.02389	0.27808000000000005	1768.8781	0.15339	-422.506168	-422.49565	-422.494706	-422.543185	36.976
+C	 3.1607254962	-2.6779400363	-3.6056290567	-0.384849
+C	 2.9862596402	-1.1522809117	-3.6026961135	-0.028046
+O	 4.2117835001	-0.4814303245	-3.8872684382	-0.412114
+C	 2.3864481136	-0.6839484173	-2.3480854082	 0.152498
+C	 1.9406545664	-0.3162387086	-1.290035408	-0.025177
+C	 1.3489196197	 0.1426399084	-0.0544409638	 0.222738
+C	-0.0910418592	 0.6043053508	-0.1445305428	-0.467132
+C	 2.2300440823	 0.6613818119	 1.0131060238	-0.20885
+O	 1.6671174231	-0.6416077993	 1.1148033101	-0.258633
+H	 3.811365995	-2.990299605	-2.7824908883	 0.120667
+H	 2.1970302543	-3.1808743172	-3.4850809195	 0.127749
+H	 3.6127881617	-2.9885573241	-4.5511006433	 0.126205
+H	 2.325791588	-0.8725947122	-4.4325066467	 0.119985
+H	 4.7887537235	-0.6013268553	-3.1245686305	 0.282549
+H	-0.4460567147	 0.9191756797	 0.8397587676	 0.128699
+H	-0.1826629179	 1.4410445529	-0.8433949545	 0.133445
+H	-0.7287683904	-0.2091003737	-0.5024245966	 0.137202
+H	 3.3054444076	 0.6991275801	 0.8490488775	 0.117474
+H	 1.8340892103	 1.4040371714	 1.7054663315	 0.11559
+19
+0 1229	3.4854633	0.7008929	0.6602318	1.6538	82.86	-0.23817	0.03225	0.27042	1768.579	0.153824	-422.509864	-422.499434	-422.49849	-422.546482	37.402
+C	 4.020919926	 1.5356264204	-1.9491750681	-0.38386
+C	 3.7228296993	 0.1246617806	-1.4202671789	-0.023248
+O	 3.4899800873	-0.7952182553	-2.4865678726	-0.413902
+C	 2.6222993831	 0.1358256667	-0.4522695739	 0.01786
+C	 1.6944260266	 0.1646937514	 0.3186921023	 0.057546
+C	 0.5994617318	 0.1260019743	 1.2527514913	 0.234033
+O	 0.697059889	-0.8461851142	 2.2619394342	-0.444541
+C	-0.7980928877	 0.4867285442	 0.7685866286	-0.31182
+C	-0.0564639511	 1.4041840709	 1.7070484253	-0.288896
+H	 4.3005990166	 2.2072873015	-1.1325225022	 0.126638
+H	 4.8404020799	 1.4863142634	-2.6707915992	 0.126082
+H	 3.1388726758	 1.9526780383	-2.4461583563	 0.114972
+H	 4.622415949	-0.2599851309	-0.9242749211	 0.120006
+H	 2.6270451318	-0.5861155249	-2.8611109875	 0.280293
+H	 0.7620891498	-1.7060010852	 1.830868171	 0.285733
+H	-0.9221447864	 0.7863994768	-0.2653939122	 0.120176
+H	-1.6020133235	-0.1098455296	 1.1842880519	 0.123421
+H	 0.3344980822	 2.3386828791	 1.3241042073	 0.126683
+H	-0.3661513897	 1.4179900126	 2.7455259702	 0.132826
+19
+0 1230	4.0452001	0.5974261	0.5722871	3.153	83.65	-0.23828	0.03372	0.272	1971.5364	0.154132	-422.509225	-422.498739	-422.497795	-422.546222	37.098
+C	-6.0186137489	 2.0471958286	-2.3688508752	-0.381389
+C	-5.8134937728	 2.7890572149	-1.0393905276	-0.01478
+O	-5.4938423816	 4.1636785859	-1.2550457636	-0.415836
+C	-4.8133653433	 2.1218059251	-0.2010200383	 0.105733
+C	-3.9533118583	 1.589308739	 0.456568835	 0.018206
+C	-2.9416944283	 0.9624042822	 1.2537961786	-0.204277
+C	-2.7570653179	-0.5574720683	 1.2282311172	-0.314595
+C	-1.72404122	 0.3380240908	 0.6122263321	 0.111928
+O	-0.5195595302	 0.5631866648	 1.2783784393	-0.421083
+H	-6.3622326272	 1.0230395854	-2.1957485781	 0.12123
+H	-6.7618502495	 2.5778579608	-2.9696467212	 0.12406
+H	-5.0795803629	 2.0020694113	-2.9298770088	 0.11412
+H	-6.7705961199	 2.8150737008	-0.5036287359	 0.114995
+H	-4.5714510206	 4.201458171	-1.5312549545	 0.281363
+H	-2.736162788	 1.4260395471	 2.2141577468	 0.124859
+H	-2.5094309826	-1.0223540549	 2.1758421664	 0.121623
+H	-3.4044131146	-1.1322277723	 0.5764877191	 0.124643
+H	-1.6750677386	 0.3787566393	-0.4750831297	 0.098966
+H	 0.0192699852	-0.2311737714	 1.1967902183	 0.290233
+19
+0 1231	4.7983612	0.5766939	0.5585628	1.6808	84.04	-0.25233	0.01561	0.26794	2038.4553	0.153609	-422.505825	-422.495278	-422.494334	-422.54285	36.692
+C	 2.2480980303	-5.8126982465	-0.4036678301	-0.384641
+C	 3.3968056824	-4.8054403033	-0.2464910278	-0.023043
+O	 4.3866181962	-5.2744296167	 0.6659477796	-0.412518
+C	 2.8969520214	-3.4783286214	 0.1277039307	 0.16261
+C	 2.46796515	-2.4082128084	 0.4807166563	 0.014127
+C	 1.9922619928	-1.117868597	 0.8975173281	-0.17126
+O	 0.7927159235	-1.0728036535	 1.6956253888	-0.241926
+C	 0.7356327164	-0.5356240147	 0.3768775272	 0.094192
+C	 0.5353832508	 0.9513591084	 0.2493926421	-0.419732
+H	 1.6931248224	-5.9096501128	 0.5348708923	 0.121686
+H	 1.5488004835	-5.4892232142	-1.1800986203	 0.125016
+H	 2.6583175195	-6.7890877343	-0.6738819344	 0.126599
+H	 3.9265795507	-4.7251453255	-1.2037306919	 0.119788
+H	 4.0101332507	-5.2199928263	 1.5515844524	 0.284227
+H	 2.7621432295	-0.4215756065	 1.2300567167	 0.113598
+H	 0.1705129777	-1.1535113339	-0.3223125718	 0.099953
+H	 1.16201976	 1.4913448119	 0.9642106558	 0.129941
+H	 0.7838179331	 1.2874980317	-0.7627241471	 0.127655
+H	-0.509784261	 1.212975273	 0.4447042733	 0.133726
+19
+0 1232	4.3326492	0.6351377	0.6160023	2.7578	82.36	-0.24998	0.01713	0.26711	1876.475	0.155061	-422.499726	-422.48959	-422.488646	-422.537131	34.842
+C	 3.6354276568	-3.6639654393	-1.1064330435	-0.384944
+C	 3.4978141033	-2.678994795	 0.0639303255	-0.021851
+O	 3.0512549818	-3.3330986106	 1.2498188154	-0.411968
+C	 2.6449374061	-1.5396774483	-0.2898716101	 0.086238
+C	 1.9175454597	-0.6237045057	-0.5828396636	 0.054936
+C	 1.0447596693	 0.4818757776	-0.9354313514	-0.030427
+C	-0.4026932195	 0.4709993998	-0.3672184923	-0.284608
+C	-0.0156441608	 1.8254246807	 0.255271509	-0.058326
+O	 1.3402157124	 1.7159130888	-0.2285869749	-0.277022
+H	 2.6547031902	-4.0570690362	-1.3937387908	 0.115519
+H	 4.073863416	-3.1729427547	-1.979954421	 0.126853
+H	 4.2741358963	-4.4980882932	-0.8048569453	 0.126681
+H	 4.4941676921	-2.2998877843	 0.3221714202	 0.123834
+H	 2.1240711909	-3.5615263978	 1.1204167774	 0.280904
+H	 1.0818893197	 0.6491441185	-2.0207409548	 0.101979
+H	-1.1968105012	 0.4861941946	-1.1142234537	 0.115937
+H	-0.5874732894	-0.3282021055	 0.3503176779	 0.121443
+H	-0.5289574271	 2.6982698434	-0.1669525972	 0.103315
+H	-0.0545036366	 1.8845225174	 1.3487236032	 0.111508
+19
+0 1233	4.1652299	0.6351191	0.6022144	1.5617	81.7	-0.2528	0.02881	0.28161	1878.8596	0.155182	-422.499969	-422.489857	-422.488913	-422.538158	34.764
+C	-3.3362433983	 1.7760593576	-3.8220548916	-0.383989
+C	-2.1579740732	 2.6823895312	-3.4367899853	-0.019864
+O	-1.2198847311	 2.8041545476	-4.5041705933	-0.412601
+C	-1.5155264596	 2.2336094129	-2.1962297352	 0.081774
+C	-0.9739276276	 1.8329169092	-1.1960388618	 0.047393
+C	-0.3069183005	 1.3614152909	-0.0020522038	-0.217786
+C	 1.2298197719	 1.5662661862	 0.1307719816	-0.072649
+O	 1.4268130116	 0.1763403654	 0.4484077903	-0.267584
+C	 0.0650539998	-0.1446830979	 0.1135712362	-0.072221
+H	-4.0964683615	 1.7683633877	-3.0355381489	 0.124879
+H	-3.7844615511	 2.1388064814	-4.7506809402	 0.12626
+H	-2.9940168628	 0.7471737177	-3.9741035652	 0.115947
+H	-2.5344316037	 3.7022824806	-3.2907793058	 0.118627
+H	-0.7574957773	 1.9617345285	-4.5773844458	 0.281699
+H	-0.8325185941	 1.7102771935	 0.8914131864	 0.11322
+H	 1.7178334869	 1.8516628191	-0.8092559782	 0.110224
+H	 1.5663507052	 2.2284487191	 0.9353310188	 0.111413
+H	-0.0126431689	-0.6906733296	-0.8350494001	 0.104887
+H	-0.4350352655	-0.7123558109	 0.9054348318	 0.11037
+19
+0 1234	3.7048767	0.6343583	0.585596	2.1444	81.41	-0.24314	-0.01875	0.22439	1898.6901	0.15255	-422.547609	-422.536435	-422.535491	-422.586474	37.93
+C	 0.4407450676	-0.1261063138	-1.0368896233	-0.386348
+C	 1.234558683	-0.3073630428	 0.265126529	-0.018585
+O	 0.5000655647	 0.1572560151	 1.3955026278	-0.411773
+C	 2.5604270698	 0.3165415144	 0.1813494045	 0.08783
+C	 3.6350043696	 0.8593022052	 0.1207422434	 0.018049
+C	 4.9448910663	 1.4888756035	 0.039993153	-0.444578
+C	 5.2668330997	 2.2081772659	-1.288166796	 0.396499
+C	 4.1358794701	 2.9479643182	-1.9686865998	-0.474189
+O	 6.3930268627	 2.1924166285	-1.7191003153	-0.285746
+H	-0.5383393736	-0.6010251166	-0.9343128805	 0.128256
+H	 0.2943058242	 0.9377156736	-1.2515290993	 0.114327
+H	 0.9697882204	-0.5750836179	-1.8826115569	 0.12561
+H	 1.3631987257	-1.3809184965	 0.4493323592	 0.121264
+H	 0.4794532381	 1.1196500736	 1.3501701649	 0.281341
+H	 5.0363248759	 2.2515993887	 0.8283955086	 0.154392
+H	 5.7492314368	 0.7677522899	 0.2154069434	 0.157559
+H	 3.6300357025	 3.6142922442	-1.2612854099	 0.137678
+H	 4.5248468204	 3.5178284632	-2.8127678193	 0.142826
+H	 3.3829756062	 2.2326331435	-2.3148276634	 0.15559
+19
+0 1235	4.7495979	0.5611377	0.5365666	2.4086	81.9	-0.25197	0.03559	0.28756000000000004	2110.0669	0.154161	-422.500981	-422.490579	-422.489635	-422.539144	35.856
+C	-1.6523044344	-4.4508497771	 3.1646961882	-0.384217
+C	-0.2060451367	-3.9395142201	 3.0984939116	-0.018975
+O	 0.4552823229	-4.0745972273	 4.3558682365	-0.414529
+C	-0.1431665232	-2.5632303089	 2.5946856865	 0.114022
+C	-0.1184198734	-1.4194267718	 2.217156403	 0.00709
+C	-0.0471352467	-0.0455904228	 1.7292776697	-0.381376
+C	 0.7290604997	 0.0772516005	 0.4283428569	 0.111623
+C	 0.4364420775	 1.141227226	-0.5379160893	-0.181598
+O	 0.0141032594	-0.2046158313	-0.7708034987	-0.224138
+H	-1.6589544275	-5.4749316519	 3.5470467103	 0.124139
+H	-2.2503510491	-3.821334778	 3.831743967	 0.114684
+H	-2.1170032173	-4.4335747778	 2.1746704257	 0.127602
+H	 0.3638771584	-4.588621048	 2.4225331906	 0.11873
+H	 0.0795916391	-3.4139418886	 4.9483567816	 0.280627
+H	-1.0548719978	 0.3576633022	 1.5720994079	 0.13568
+H	 0.4342070445	 0.5887802793	 2.4863951612	 0.134164
+H	 1.7374284269	-0.3363597462	 0.4565496328	 0.104751
+H	-0.3631008623	 1.8514994804	-0.3291769676	 0.113779
+H	 1.2224391398	 1.5088715213	-1.195684734	 0.117942
+19
+0 1236	5.2478196	0.5245829	0.4976472	2.5556	83.52	-0.25778	0.00639	0.26417	2120.5238	0.154047	-422.553529	-422.542768	-422.541824	-422.593103	35.993
+C	 2.1450968041	-0.1460282226	 1.3282184376	-0.375513
+C	 1.3631123381	-0.0377682122	 0.0041989501	-0.129148
+C	-0.0632123926	-0.607407387	 0.1437885236	-0.374465
+C	 2.0790427492	-0.6953492577	-1.0889966984	 0.189753
+C	 2.661592749	-1.2561717231	-1.9811021784	-0.041968
+C	 3.3923773144	-1.8960933357	-3.0580307929	-0.225535
+O	 2.6793605607	-3.0934682319	-3.4667717209	-0.20017
+C	 3.2570537357	-3.7769274418	-4.4618258332	 0.193412
+O	 4.2800300524	-3.4847235776	-5.0186719212	-0.299276
+H	 2.2495422285	-1.1929458525	 1.6290436796	 0.126163
+H	 3.1468536289	 0.2804507722	 1.2308085776	 0.124546
+H	 1.6169762353	 0.3893248944	 2.1235732111	 0.114497
+H	 1.2746561328	 1.0280096164	-0.2490092845	 0.108166
+H	-0.6036224626	-0.0779873305	 0.9346919133	 0.114767
+H	-0.6227291834	-0.5025491395	-0.789176679	 0.126806
+H	-0.0296596602	-1.6701787304	 0.4019496389	 0.127587
+H	 3.4952464882	-1.2375416881	-3.9271784889	 0.151914
+H	 4.4041290745	-2.180827893	-2.7498768837	 0.151827
+H	 2.6379521269	-4.6583578596	-4.6899999807	 0.116639
+19
+0 1237	5.9089145	0.452405	0.4399327	2.1944	83.26	-0.251	-0.02973	0.22127	2426.7574	0.153002	-422.536338	-422.525222	-422.524278	-422.57605	37.072
+C	-0.2017052042	 0.2581560763	 0.1317502472	-0.384444
+C	 1.1862476938	-0.334028822	-0.1516245015	-0.019893
+O	 1.5138552448	-1.3688404075	 0.7736872438	-0.412958
+C	 2.2197276219	 0.7073090571	-0.1915414704	 0.148929
+C	 3.0605162817	 1.5703595094	-0.1747152504	-0.022829
+C	 4.0969007035	 2.5946053649	-0.1969694047	-0.365221
+C	 5.0375402693	 2.4655844404	-1.4185672112	-0.260499
+C	 6.1788051615	 3.4558437597	-1.3519914996	 0.156266
+O	 6.4911900442	 4.2097824572	-2.2356929667	-0.230633
+H	-0.2076040557	 0.7747752571	 1.0971118631	 0.116118
+H	-0.4832216412	 0.9795418456	-0.6408536052	 0.125441
+H	-0.9414370143	-0.5461554981	 0.1581173502	 0.126246
+H	 1.1585899288	-0.8408351685	-1.1240008136	 0.118578
+H	 1.6796473045	-0.9498033563	 1.6255829634	 0.281545
+H	 3.6356479135	 3.5904285469	-0.1972596211	 0.143812
+H	 4.6904341851	 2.5354099572	 0.7255046123	 0.135504
+H	 5.4703972186	 1.4562041142	-1.4205268069	 0.136931
+H	 4.4948725385	 2.6045454027	-2.3562667989	 0.135294
+H	 6.7413286258	 3.4397330138	-0.3874504398	 0.071811
+19
+0 1238	2.4085702	1.1201157	1.067044	2.6218	77.76	-0.24276	-0.02374	0.21902	1279.0577	0.152345	-422.539047	-422.528157	-422.527213	-422.575203	38.435
+C	-0.0200297952	-2.3329545078	-2.7715806765	-0.397002
+C	 0.3902263914	-2.0437205141	-1.3112066575	-0.062587
+C	 1.8817143756	-1.7279275092	-1.1835075751	-0.393182
+C	-0.452360533	-0.9110028852	-0.7437156788	 0.365055
+O	-0.0092112264	 0.1661987788	-0.4328927413	-0.305451
+C	-1.9792547806	-1.1590020901	-0.5526622552	-0.107145
+O	-2.2272605625	-2.5552584914	-0.4565635869	-0.41989
+C	-2.7293383441	-0.5354210461	-1.6416201032	 0.312518
+C	-3.3733010031	-0.0561076802	-2.5366367349	-0.474183
+H	 0.5746566267	-3.1650004146	-3.1605454267	 0.118707
+H	-1.0747033901	-2.6044617624	-2.8439751959	 0.133072
+H	 0.1607592967	-1.4612031055	-3.4087301532	 0.125327
+H	 0.1427606029	-2.9364431993	-0.7245517368	 0.113901
+H	 2.163878625	-1.5478606307	-0.1428581436	 0.122101
+H	 2.4773356513	-2.5631778399	-1.5641628328	 0.107095
+H	 2.1403367258	-0.8303501128	-1.7520387707	 0.129015
+H	-2.2325822361	-0.647815272	 0.3878957603	 0.127482
+H	-3.1713356306	-2.6974135215	-0.5809006298	 0.295764
+H	-3.9335488137	 0.3809781041	-3.3263758413	 0.209401
+19
+0 1239	2.1752701	1.341832	0.960812	1.5736	78.03	-0.23881	-0.02736	0.21145	1284.75	0.152711	-422.546149	-422.535509	-422.534564	-422.582168	38.064
+C	-1.6175565099	 0.4791271733	-0.7855842531	-0.37718
+C	-0.8619484303	 0.55117461	 0.5408754361	 0.03173
+O	-0.7956731032	 1.9103757953	 0.9262967631	-0.429255
+C	-1.5474510852	-0.3554564815	 1.5816008733	 0.346296
+O	-1.72690965	-1.5269611344	 1.3620503595	-0.303395
+C	-2.0014522988	 0.2985182487	 2.9112280448	-0.229223
+C	-2.8471768605	-0.6668494288	 3.7531533151	-0.39218
+C	-0.8169482012	 0.7718442287	 3.6274959212	 0.300786
+C	 0.1811615848	 1.1325199954	 4.1961860682	-0.477947
+H	-2.6139839379	 0.9185921678	-0.6768827194	 0.124378
+H	-1.0765113634	 1.0424147955	-1.5492349139	 0.127316
+H	-1.7199815523	-0.5606468277	-1.100606988	 0.141487
+H	 0.1450894179	 0.1280052251	 0.3954874065	 0.104164
+H	-0.2414221056	 1.9774713295	 1.7134286597	 0.291048
+H	-2.5914857312	 1.1810785229	 2.6295026258	 0.137613
+H	-3.1643340175	-0.1827696626	 4.6796441085	 0.122913
+H	-3.7311317151	-0.9765628494	 3.1910105603	 0.129496
+H	-2.2745157552	-1.5630047309	 3.9987482991	 0.143145
+H	 1.0464571745	 1.451845213	 4.7234459632	 0.208809
+19
+0 1240	3.803749	0.7869977	0.6998887	1.5023	79.18	-0.26708	0.01061	0.27769	1624.0415	0.153059	-422.557369	-422.54664	-422.545696	-422.594973	36.958
+C	-0.5602795976	-1.5981985034	-2.5271230668	-0.383711
+C	-0.0896123357	-0.238527423	-2.0065990986	-0.085665
+C	-0.6098608898	 0.927244734	-2.8722825707	-0.392748
+C	-0.5332168891	-0.0307099546	-0.5675463351	 0.463533
+O	-1.4120623427	-0.6305527224	-0.0004906398	-0.357627
+O	 0.1826851479	 0.9581790032	 0.0175105627	-0.248887
+C	-0.201093657	 1.258925593	 1.3743702728	-0.23122
+C	 0.6276331628	 2.3463928587	 1.8650654026	 0.286785
+C	 1.2952940978	 3.2436998454	 2.3013144389	-0.413777
+H	-0.1574378625	-2.4175848748	-1.9256843172	 0.122785
+H	-1.650617009	-1.6684013348	-2.4915972808	 0.134192
+H	-0.2352149171	-1.7387208497	-3.5622414768	 0.110607
+H	 1.0056231665	-0.1942620396	-2.0088585566	 0.103658
+H	-0.2553756176	 1.8891833259	-2.494310904	 0.133733
+H	-0.2628259603	 0.8119098159	-3.9032323947	 0.121091
+H	-1.704851835	 0.9420360991	-2.8848748142	 0.127569
+H	-1.2633398413	 1.5251268355	 1.3998409072	 0.152214
+H	-0.0837503873	 0.3604901017	 1.9900129875	 0.152449
+H	 1.8872199971	 4.0374918396	 2.6853820137	 0.205018
+19
+0 1241	3.5653475	0.7517044	0.6519968	2.9114	78.6	-0.24496	-0.01824	0.22672	1708.6739	0.152287	-422.545022	-422.534135	-422.533191	-422.582604	37.954
+C	 5.8091236372	 0.1675471925	 3.6900043528	-0.403493
+C	 5.1107806538	-0.8947326568	 2.8375588261	 0.040754
+O	 4.1321780175	-1.6235888387	 3.5622548205	-0.433553
+C	 4.4408039303	-0.2492749314	 1.6158109543	 0.363053
+O	 5.0953856319	 0.4552621682	 0.880295629	-0.315408
+C	 2.9724214612	-0.5379193635	 1.3795341629	-0.286426
+C	 2.4369450363	 0.1544643578	 0.1172457918	-0.367251
+C	 1.0242723243	-0.1227416048	-0.1092632294	 0.285809
+C	-0.1412524794	-0.3651012095	-0.2758821869	-0.429932
+H	 6.3816104075	-0.302075992	 4.4971197181	 0.109171
+H	 6.4933564894	 0.7498736342	 3.069360371	 0.14902
+H	 5.0723575041	 0.8424796483	 4.1364399441	 0.127726
+H	 5.87325121	-1.5763878054	 2.4240805823	 0.100295
+H	 4.5524859593	-1.9945027082	 4.3437958595	 0.289834
+H	 2.8344357866	-1.6242761702	 1.3301847467	 0.146371
+H	 2.412009419	-0.2349848406	 2.2715766799	 0.146445
+H	 2.6009356736	 1.2348682425	 0.1989176465	 0.142955
+H	 3.0277236411	-0.1640688719	-0.7489935101	 0.143073
+H	-1.1703853738	-0.5703486704	-0.436115849	 0.191558
+19
+0 1242	1.8818586	1.4680361	0.9461019	1.2046	78.16	-0.2435	-0.02293	0.22057	1290.8687	0.151814	-422.545883	-422.53487	-422.533926	-422.582228	38.728
+C	 4.730708469	 0.1520064378	 1.7970255397	-0.422097
+C	 3.2131294273	 0.2127541782	 1.6225627452	 0.133363
+O	 2.5738121963	-0.8334551204	 2.3441504649	-0.435261
+C	 2.7804605071	 0.0181448243	 0.154141684	-0.26719
+C	 1.3276105889	-0.0112627323	 0.0009817753	 0.332753
+C	 0.1384834418	 0.0212230495	-0.1719128058	-0.451074
+C	 3.3163194991	 1.1334000238	-0.7814082032	 0.380547
+C	 3.3015863566	 0.8117190048	-2.2603331499	-0.477164
+O	 3.7111891144	 2.1869173669	-0.3452259438	-0.294842
+H	 4.9858173738	 0.2352650827	 2.8594082186	 0.105824
+H	 5.1205519218	-0.8047976505	 1.433380079	 0.116601
+H	 5.2246400196	 0.9713368807	 1.271263758	 0.143172
+H	 2.8461068354	 1.1949945846	 1.949335458	 0.093792
+H	 2.780502416	-0.7156750321	 3.2764395296	 0.283251
+H	 3.1842980903	-0.9438101453	-0.1930912704	 0.116476
+H	-0.9158185164	 0.0255365789	-0.2989710115	 0.198651
+H	 4.0583248147	 0.0459567584	-2.4705378453	 0.143181
+H	 2.3329630821	 0.3989303666	-2.5552980033	 0.155858
+H	 3.5277014822	 1.7081239834	-2.8385812293	 0.144158
+19
+0 1243	1.9321646	1.4738814	0.8855819	3.0622	77.51	-0.25717	0.05008	0.30725	1308.8195	0.153302	-422.5019	-422.491694	-422.490749	-422.537303	36.709
+C	 2.5901725476	 2.5176098416	 0.6776115218	-0.417265
+C	 3.1011644163	 1.1359183171	 1.0783265094	 0.125318
+O	 4.5214237424	 1.066578714	 1.0035013427	-0.437074
+C	 2.5788923831	 0.0136961581	 0.1489278483	-0.203308
+C	 1.1178652081	-0.0293421744	 0.1371389133	 0.3152
+C	-0.0826204771	-0.084799932	 0.1580346267	-0.444582
+C	 3.1380256519	-1.344811606	 0.5584200201	 0.099719
+C	 4.3920113072	-1.8584405138	 0.0089914097	-0.166318
+O	 3.1289328248	-2.3595307312	-0.4417662256	-0.243332
+H	 2.9838787071	 3.2811468706	 1.3584389118	 0.105161
+H	 2.916686753	 2.7632699449	-0.3381218797	 0.125397
+H	 1.4992849084	 2.5600918434	 0.7172648459	 0.139928
+H	 2.7632154949	 0.9086965345	 2.1028312217	 0.076883
+H	 4.8796150817	 1.8061737048	 1.5039478292	 0.284726
+H	 2.9436513855	 0.2274763984	-0.8642945965	 0.114862
+H	-1.1432722085	-0.1364900378	 0.1571282894	 0.196393
+H	 2.8203450167	-1.682957138	 1.5458553376	 0.096198
+H	 4.9434847476	-1.2551261685	-0.7086876823	 0.11965
+H	 4.9921800194	-2.5545595658	 0.5926688365	 0.112443
+19
+0 1244	1.8020082	1.6704428	1.0836868	2.1432	78.23	-0.26548	-0.04585	0.21963	1192.1049	0.15209	-422.5407	-422.530129	-422.529185	-422.575778	38.358
+C	 4.6892187059	-1.2392702569	-0.876103471	-0.416249
+C	 3.1631337961	-1.2918987114	-0.7236558674	 0.013502
+C	 2.704191813	-2.6550574195	-0.1929453391	-0.403035
+C	 2.6631484212	-0.1456474816	 0.2101632271	 0.088648
+O	 3.2183111897	-0.2840195236	 1.4955102809	-0.452101
+C	 3.0821850617	 1.2158062714	-0.370198976	 0.121945
+O	 3.7386359158	 1.9968201446	 0.2693045287	-0.266882
+C	 1.1915571003	-0.0984836663	 0.2516558164	 0.319154
+C	-0.007510423	-0.0070284856	 0.2488249656	-0.449063
+H	 5.1708920572	-1.3337051931	 0.1006102769	 0.139008
+H	 5.0332774588	-2.0611902008	-1.5104047887	 0.115929
+H	 5.0318362199	-0.3042497423	-1.332378371	 0.116381
+H	 2.6960667224	-1.1209709006	-1.7028351105	 0.081627
+H	 3.1281449165	-2.8403212871	 0.7979956639	 0.139044
+H	 1.6152369799	-2.7070231225	-0.1140475574	 0.127632
+H	 3.0375062879	-3.452631818	-0.8639047303	 0.111155
+H	 3.6197473874	 0.576774355	 1.6993864953	 0.296052
+H	 2.7271816226	 1.4329924397	-1.3957630619	 0.112874
+H	-1.0680539135	 0.0551131185	 0.2680791384	 0.204379
+19
+0 1245	1.8645858	1.4030197	1.2934423	1.3309	77.7	-0.25481	-0.03013	0.22468	1157.0303	0.151906	-422.539887	-422.529152	-422.528207	-422.575223	38.656
+C	 2.7117822871	-1.7093831183	-1.8562362128	-0.421267
+C	 3.2454871154	-1.3453853593	-0.4717408697	 0.120074
+O	 2.9470935054	-2.3452452533	 0.4829516439	-0.430408
+C	 2.7441240491	 0.0593166354	 0.0370904866	-0.090179
+C	 3.4562368475	 0.392868182	 1.373077191	-0.427334
+C	 3.1642652677	 1.1237865354	-0.978452839	 0.158268
+O	 2.4374856272	 1.8820992563	-1.5583351308	-0.247632
+C	 1.2971503689	 0.0162133977	 0.2237478518	 0.347676
+C	 0.1130296615	-0.0835133979	 0.4078198214	-0.469488
+H	 3.0652511371	-2.7064630231	-2.1300679943	 0.128855
+H	 1.6171100475	-1.7112992579	-1.8616991652	 0.133605
+H	 3.0489849711	-1.0002395603	-2.6192756075	 0.127279
+H	 4.3407254299	-1.2998336069	-0.5008962102	 0.093611
+H	 1.985310372	-2.3734447386	 0.5714204724	 0.285143
+H	 3.3222687882	-0.4387631932	 2.066277486	 0.151305
+H	 4.5296909759	 0.5334903866	 1.2066895417	 0.119593
+H	 3.0477643647	 1.3040866066	 1.8155114796	 0.135713
+H	 4.2689237287	 1.1451946827	-1.132212231	 0.080856
+H	-0.9376220148	-0.1320016041	 0.5579131861	 0.20433
+19
+0 1246	3.1489171	0.7397561	0.6189291	2.7974	84.18	-0.27033	-0.06573	0.2046	1773.4367	0.15302	-422.534687	-422.523692	-422.522748	-422.571971	37.539
+C	 1.6601926708	-0.906210906	 2.7791496138	-0.392329
+C	 0.2876188863	-0.9201875415	 2.0965274477	 0.015144
+C	-0.5794469657	-2.0791867289	 2.6030154797	-0.399245
+C	 0.4648435844	-0.9746650826	 0.5540917452	-0.05086
+O	 1.3344629471	 0.0409169304	 0.06500944	-0.414561
+C	-0.822862316	-0.9439744564	-0.1434149591	 0.067375
+C	-1.8905901919	-0.8784834276	-0.7068913965	 0.062156
+C	-3.1477287731	-0.7837249717	-1.4035056641	 0.015845
+O	-4.0643618731	-1.561688255	-1.270770612	-0.227215
+H	 1.5472668256	-0.7771891332	 3.8597670608	 0.11326
+H	 2.187067097	-1.8530021773	 2.6099850138	 0.115566
+H	 2.2874454676	-0.1003711971	 2.3936071177	 0.128852
+H	-0.2275149661	 0.0250160682	 2.3212937465	 0.075794
+H	-0.6961921155	-2.0186816113	 3.6891330224	 0.119537
+H	-1.5752690014	-2.0724921167	 2.1530910423	 0.13711
+H	-0.1118404147	-3.0442931505	 2.3747892993	 0.118274
+H	 0.9694404532	-1.9180147687	 0.3048649816	 0.12851
+H	 0.8773596466	 0.8851133552	 0.1526104836	 0.285529
+H	-3.218032851	 0.0820632307	-2.0931042225	 0.101258
+19
+0 1247	3.0279147	0.7426123	0.6268777	3.5238	84.09	-0.26423	-0.0603	0.20393000000000003	1750.7368	0.153021	-422.539302	-422.528252	-422.527308	-422.578505	37.548
+C	-2.1591505367	 2.7594580324	-0.9875929937	-0.422181
+C	-0.7376049825	 2.2077009956	-1.0393484318	 0.143883
+O	 0.1979339403	 3.2159758313	-1.3975411078	-0.422384
+C	-0.593063956	 0.9847041375	-1.994432031	-0.186113
+C	 0.8625527767	 0.4736838385	-2.0382312151	-0.392011
+C	-1.502443012	-0.0947319484	-1.6306806008	 0.125835
+C	-2.2427627087	-0.9898868985	-1.2945356034	 0.002553
+C	-3.1222580138	-2.0714206419	-0.936873621	 0.01925
+O	-3.7622156172	-2.1267330806	 0.0888864567	-0.231146
+H	-2.1987130886	 3.6226976678	-0.3182553068	 0.130175
+H	-2.486080593	 3.0826499639	-1.9850044991	 0.106695
+H	-2.8664478361	 2.0064243461	-0.6321485445	 0.146888
+H	-0.4335007787	 1.8827125859	-0.0374012217	 0.104562
+H	-0.1530847483	 3.6876928748	-2.1612812336	 0.280341
+H	-0.8681074688	 1.3294399885	-3.0035213363	 0.102486
+H	 1.1573164012	 0.0733552624	-1.0636592925	 0.130797
+H	 0.9754208855	-0.3190156128	-2.7815492099	 0.123778
+H	 1.52642711	 1.303066235	-2.2868194908	 0.139248
+H	-3.1762379733	-2.8807738575	-1.693669367	 0.097341
+19
+0 1248	2.2609853	1.1634829	1.0193658	1.7528	78.78	-0.25556	-0.06381	0.19175	1294.9833	0.152468	-422.538511	-422.527617	-422.526672	-422.575508	38.227
+C	-0.6666095426	 3.7500630131	-1.2357201218	-0.395046
+C	-0.5232794589	 2.2345008162	-1.039773361	 0.024702
+C	-0.1781055368	 1.8954769946	 0.416366689	-0.400945
+C	-1.8056089033	 1.5136816834	-1.5036612441	 0.022085
+O	-2.0412188263	 1.8787143627	-2.8549195242	-0.427509
+C	-1.6699498156	-0.0079741093	-1.3728637382	 0.192507
+O	-2.1751027213	-0.6314148146	-0.464226449	-0.291467
+C	-0.8960692106	-0.667846448	-2.4130268819	 0.309583
+C	-0.2437625507	-1.2389749832	-3.2482923109	-0.450188
+H	-1.4592266254	 4.1516029841	-0.5930711432	 0.110373
+H	 0.2664037132	 4.2560508149	-0.9682628439	 0.11096
+H	-0.9108803782	 3.9937495863	-2.2708058236	 0.136313
+H	 0.2866938784	 1.8778863005	-1.6898139568	 0.09265
+H	-0.0297487314	 0.8239692595	 0.5746149878	 0.130439
+H	 0.7417686065	 2.4086620888	 0.7122694383	 0.115692
+H	-0.9742895292	 2.2224813605	 1.0947238365	 0.120651
+H	-2.6415068039	 1.8042241328	-0.8500337025	 0.09011
+H	-2.8862375111	 1.5098221273	-3.1310637391	 0.291712
+H	 0.3314723571	-1.7440542097	-3.9859670114	 0.217378
+19
+0 1249	2.7280815	1.0494674	0.8884754	1.5499	78.92	-0.25885	-0.05888	0.19997000000000004	1362.0862	0.152638	-422.542036	-422.531264	-422.53032	-422.578059	38.215
+C	-1.5446369114	-1.4015429232	-0.2987377453	-0.423227
+C	-2.4718927528	-0.1886801984	-0.2181222512	 0.135638
+O	-3.5365602781	-0.3017385966	-1.1626129248	-0.448363
+C	-1.7627700254	 1.1341302742	-0.5480351561	-0.08598
+C	-2.7450837185	 2.3254050458	-0.5997376058	-0.409932
+C	-0.6683048069	 1.4589632417	 0.4603239786	 0.221325
+O	-0.6017437864	 0.9698562562	 1.5688983095	-0.304159
+C	 0.3065814724	 2.4486636022	 0.0216749826	 0.269801
+C	 1.117782593	 3.2543398329	-0.3555413414	-0.398027
+H	-0.7435125507	-1.3360166239	 0.4404369266	 0.142326
+H	-2.106295621	-2.3212615144	-0.0979194087	 0.103616
+H	-1.1086778228	-1.4843448968	-1.2998591824	 0.11861
+H	-2.8746612854	-0.1116467302	 0.8026407859	 0.083706
+H	-3.9910985431	-1.1322973687	-0.9922273477	 0.28181
+H	-1.2920040856	 1.0431015383	-1.5358416839	 0.098654
+H	-3.2345313869	 2.4622495686	 0.3702023482	 0.125981
+H	-2.2228043352	 3.2514188733	-0.8545324226	 0.124141
+H	-3.512560068	 2.1308633389	-1.3489534298	 0.149517
+H	 1.8418871729	 3.9651459102	-0.6727264916	 0.214562
+19
+0 1250	2.2217324	1.129409	0.7978161	1.6087	78.35	-0.25274	-0.03092	0.22182000000000002	1425.4249	0.152293	-422.536697	-422.525883	-422.524938	-422.573601	37.832
+C	-0.3800750827	 2.8090216281	-0.7148840082	-0.417039
+C	-1.0268318483	 2.1179416462	 0.4836442094	 0.113148
+O	-1.5059867872	 3.0683391901	 1.4282019853	-0.424079
+C	-0.0783752549	 1.0884040403	 1.1653036828	-0.088943
+C	-0.7086538681	 0.5387533301	 2.4650453767	-0.382216
+C	 0.1868707089	-0.3544132533	 3.1889741377	 0.284693
+C	 0.9505010122	-1.0875523338	 3.7583557905	-0.423929
+C	 0.2179796964	-0.0522662056	 0.2062342435	 0.165657
+O	 1.1782301686	-0.1159195037	-0.5160515166	-0.250897
+H	-0.0531789577	 2.0914196581	-1.4709660296	 0.144717
+H	-1.0907649482	 3.5047040705	-1.1683386826	 0.128092
+H	 0.5050977116	 3.37527311	-0.3993235826	 0.115334
+H	-1.9300846569	 1.5869870334	 0.1553981021	 0.095734
+H	-0.7842460104	 3.6770280291	 1.6241479983	 0.282494
+H	 0.8737342889	 1.5831943457	 1.3892202268	 0.09908
+H	-1.0045221032	 1.3852080756	 3.0909356561	 0.149035
+H	-1.6392562109	 0.0089295626	 2.2174297865	 0.131049
+H	 1.615865124	-1.7380625442	 4.2698175216	 0.198463
+H	-0.5638046022	-0.8484245392	 0.1920658224	 0.079607
+19
+0 1251	1.9618734	1.3446779	0.9034752	2.0285	78.49	-0.275	0.00442	0.27942	1334.9383	0.153247	-422.553198	-422.542772	-422.541827	-422.589385	36.775
+C	 1.8647606908	 2.6190379236	 1.2719024274	-0.403462
+C	 0.4055667869	 2.6277582247	 0.7997802463	 0.01731
+C	-0.4554658473	 3.5468080352	 1.6758480347	-0.401619
+C	-0.1725933449	 1.1980866836	 0.7870649019	-0.062198
+O	 0.6705777148	 0.3952576767	-0.0895904848	-0.214805
+C	 0.8383735125	-0.8941114141	 0.2482416483	 0.185955
+O	 0.3772545537	-1.4495421784	 1.2054005054	-0.298132
+C	-1.5491129726	 1.1308611408	 0.3049913326	 0.341894
+C	-2.679326087	 1.086332503	-0.0996142334	-0.444809
+H	 1.9416240962	 2.2497111522	 2.3015969624	 0.117457
+H	 2.4898614272	 1.9886927886	 0.6360004545	 0.127205
+H	 2.2736929807	 3.6336733635	 1.2530928513	 0.11638
+H	 0.3699726507	 2.9924477333	-0.2342514589	 0.094655
+H	-0.4595175076	 3.2057704464	 2.717830846	 0.117983
+H	-0.0534150879	 4.5641238742	 1.6624768116	 0.117798
+H	-1.4904038129	 3.5832221071	 1.3276831144	 0.133365
+H	-0.1169022895	 0.7605428407	 1.7898068403	 0.138067
+H	 1.4871618999	-1.3653035554	-0.5063168192	 0.112524
+H	-3.6810722838	 1.0350793143	-0.4491108809	 0.204432
+19
+0 1252	2.2995229	1.0600993	0.7623891	3.9525	78.36	-0.24665	-0.01766	0.22899	1472.8501	0.152143	-422.538815	-422.527979	-422.527035	-422.575433	37.85
+C	 2.7403779508	 0.2942466397	 2.5916820011	-0.416618
+C	 3.1080585592	-0.5505843722	 1.3742608547	 0.123082
+O	 4.5134211135	-0.5373566324	 1.1431857403	-0.436554
+C	 2.4735241446	-0.0238955076	 0.0655524292	-0.177902
+C	 2.9093322742	-0.8742052927	-1.1511941792	-0.286488
+C	 2.5083276265	-0.2528910928	-2.469684233	 0.164964
+O	 2.063280996	-0.8583633489	-3.4090546273	-0.241448
+C	 1.0168757897	 0.0382913094	 0.1579829446	 0.326801
+C	-0.1840664711	 0.0628533401	 0.2054622533	-0.457134
+H	 3.2169140266	-0.1087867474	 3.4924366659	 0.107393
+H	 3.0824918937	 1.3254176394	 2.4566879377	 0.125454
+H	 1.6601387964	 0.2993276951	 2.7552433968	 0.139624
+H	 2.7563412099	-1.5835371044	 1.5270183764	 0.080383
+H	 4.9517817063	-0.8399481722	 1.9441686611	 0.287844
+H	 2.8626075126	 0.9951931917	-0.0765635763	 0.114283
+H	 4.00414219	-0.9395060435	-1.1318456049	 0.149755
+H	 2.5023549654	-1.8874549123	-1.0975998837	 0.124365
+H	 2.682715369	 0.8482059909	-2.5285598912	 0.070255
+H	-1.2449146131	 0.0953619701	 0.2452064644	 0.201941
+19
+0 1253	3.3406198	0.986322	0.9424082	1.5825	78.41	-0.25677	0.01653	0.2733	1330.0708	0.152886	-422.512519	-422.502302	-422.501358	-422.547365	37.502
+C	 3.443360786	 2.8169583109	 0.3382261366	-0.395891
+C	 2.8883341526	 1.9165447614	-0.7569089755	 0.082265
+O	 3.8338081067	 1.9031359731	-1.819025886	-0.43523
+C	 2.6188606403	 0.4829603514	-0.3054841543	 0.370041
+C	 3.7630109486	-0.2744994893	 0.3242763098	-0.47305
+O	 1.8719534889	-0.2475646804	-1.2974528054	-0.29472
+C	 1.2112811703	 0.0869710156	-0.0610617239	-0.241444
+C	 0.8469958098	-0.9931508462	 0.8160325986	 0.328666
+C	 0.5143901939	-1.8718299734	 1.5659808906	-0.402142
+H	 4.4141704183	 2.453433824	 0.6850047425	 0.130695
+H	 3.5801318679	 3.8286474665	-0.0517318223	 0.130193
+H	 2.7579349749	 2.8601895079	 1.1898978394	 0.118141
+H	 1.9312503926	 2.3292705985	-1.1138729707	 0.068324
+H	 3.4703464294	 1.3344540633	-2.5081164809	 0.293955
+H	 3.9923426029	 0.1179592389	 1.3195965193	 0.12809
+H	 3.5104161208	-1.3312019649	 0.4187801341	 0.139513
+H	 4.6553042057	-0.1706363076	-0.2992361823	 0.13815
+H	 0.4461079536	 0.8560387022	-0.1707729965	 0.111776
+H	 0.2248731667	-2.653760922	 2.224006737	 0.202666
+19
+0 1254	3.1964857	1.0666811	0.9888212	1.5663	78.91	-0.25255	0.03082	0.28337	1279.1425	0.153342	-422.517808	-422.507722	-422.506777	-422.552325	37.724
+C	-0.9305867343	 3.7660368618	-0.6747423692	-0.402821
+C	-2.3277038563	 3.1383213373	-0.7153450399	 0.094584
+O	-3.2542357594	 3.8790770644	 0.0626707096	-0.438932
+C	-2.3076113524	 1.6936869758	-0.2463168523	 0.408548
+O	-1.9741313164	 1.6313208963	 1.1126362726	-0.485413
+C	-1.8838592916	 0.586835035	-1.1603660265	-0.342674
+C	-3.3611837417	 0.723183665	-0.7692362266	-0.28692
+C	-3.9298151303	-0.1952226562	 0.1686018309	 0.276477
+C	-4.3663059102	-0.9171508488	 1.0292309672	-0.421717
+H	-0.5164897158	 3.707179728	 0.3363189896	 0.129588
+H	-0.2444206126	 3.2510415387	-1.3550257724	 0.111683
+H	-0.99205774	 4.8175094511	-0.9662083565	 0.121028
+H	-2.7090873713	 3.1652831128	-1.7430639787	 0.0829
+H	-3.0485427354	 3.66312163	 0.9813114917	 0.281405
+H	-2.5591448451	 0.9885069964	 1.538080867	 0.290639
+H	-1.6246701568	 0.8192303949	-2.1879735783	 0.121939
+H	-1.3365391679	-0.2379479496	-0.7194118483	 0.130574
+H	-4.0383254097	 1.1072900064	-1.5257585346	 0.12534
+H	-4.7720888626	-1.5840808392	 1.7494123745	 0.203774
+19
+0 1255	2.2090928	1.292988	1.0464732	1.7961	76.31	-0.25611	0.04297	0.29908	1234.258	0.15373	-422.509562	-422.499676	-422.498732	-422.544543	36.458
+C	 3.1828907358	-2.2644323102	 2.1920531745	-0.393414
+C	 2.7626319497	-0.8336349009	 2.5107563433	 0.057457
+O	 3.3613954724	-0.4697963589	 3.7410963923	-0.439864
+C	 3.1643521521	 0.1586576038	 1.4153683262	 0.384614
+C	 2.4462891853	 0.0595764949	 0.0722854212	-0.435356
+C	 0.9902018344	 0.0944829395	 0.1715009321	 0.312529
+C	-0.2086466268	 0.1206310259	 0.2484139278	-0.447268
+C	 4.4971548577	 0.7706353549	 1.4597489405	-0.231466
+O	 3.3368555843	 1.4977334298	 1.9045744484	-0.289852
+H	 2.926582985	-2.9132665558	 3.0333421199	 0.132966
+H	 2.6693264589	-2.6409638259	 1.3030072062	 0.120023
+H	 4.2636466245	-2.3240145608	 2.0307458985	 0.119524
+H	 1.6651780315	-0.7929969404	 2.5952170817	 0.088415
+H	 3.2516128469	 0.4879010115	 3.8141728753	 0.291037
+H	 2.7904885979	 0.8888662102	-0.5557431817	 0.142174
+H	 2.7571542154	-0.8646124609	-0.4316297625	 0.140124
+H	-1.2681199878	 0.1494075169	 0.3151520394	 0.201135
+H	 5.184165249	 0.480402315	 2.250090863	 0.132153
+H	 4.9507294837	 1.1474961814	 0.5447140241	 0.11507
+19
+0 1256	1.8580322	1.4977101	1.1435227	2.2246	78.27	-0.23972	0.0378	0.27752	1183.8169	0.153388	-422.513257	-422.503029	-422.502085	-422.547985	37.983
+C	 1.2487408357	-2.4291380199	 4.275039629	-0.406267
+C	 1.4400373835	-1.6420856305	 2.976857552	 0.067666
+O	 2.7266569205	-1.8652048189	 2.4186790088	-0.436039
+C	 1.1772892762	-0.1426622011	 3.159436754	 0.069326
+C	 0.703991465	 0.6427697753	 1.9352558898	-0.341727
+C	-0.2597392883	 0.3810002705	 3.0375892349	 0.06855
+O	-1.2952462923	-0.5098107642	 2.7587407749	-0.413879
+C	 2.0597010652	 0.5163830733	 4.0815668979	 0.261658
+C	 2.8232053925	 1.0418142015	 4.8513355566	-0.450359
+H	 1.4872947179	-3.4823983236	 4.1069070402	 0.124891
+H	 1.9017203485	-2.04418797	 5.0652149207	 0.123657
+H	 0.2139971685	-2.3597034034	 4.6282586308	 0.096305
+H	 0.733567185	-2.0110857839	 2.2287774952	 0.09969
+H	 3.3688426079	-1.4482698304	 3.0059961648	 0.281751
+H	 1.0755391322	 1.6505141276	 1.7956384794	 0.12771
+H	 0.5800700614	 0.0621102017	 1.0279682162	 0.137778
+H	-0.5215343799	 1.2119228953	 3.6908701279	 0.101497
+H	-1.6087472456	-0.8792087413	 3.591376124	 0.293143
+H	 3.4842764263	 1.5177086919	 5.532618393	 0.194647
+19
+0 1257	2.1670467	1.3271065	1.1159681	2.9738	77.82	-0.2581	0.01796	0.27605999999999997	1220.0704	0.152419	-422.511041	-422.50063	-422.499686	-422.546025	37.83
+C	 4.9750629149	-0.3757708959	 1.7388479005	-0.410654
+C	 5.284144317	-0.8360823151	 0.3122382208	 0.054831
+O	 5.7575647732	 0.2279357142	-0.4949012771	-0.428977
+C	 4.0844276044	-1.5289513002	-0.3390958625	 0.176041
+O	 4.4077405043	-2.498844266	-1.3519101699	-0.289792
+C	 3.8543987513	-2.977374534	-0.1264596821	 0.039886
+C	 2.4981067308	-3.6276336992	-0.1802523235	-0.436461
+C	 2.9835790554	-0.6442237131	-0.647259402	 0.282865
+C	 2.1151832157	 0.1568919209	-0.8754217056	-0.431069
+H	 4.7225112823	-1.2219985502	 2.3861013774	 0.115288
+H	 5.8475371964	 0.1346500959	 2.1541530627	 0.129409
+H	 4.1302642386	 0.3214710274	 1.7471574566	 0.122344
+H	 6.0963724733	-1.5702927613	 0.3218392803	 0.099732
+H	 5.0282811109	 0.8488808804	-0.6139221683	 0.282839
+H	 4.5848690074	-3.4801815654	 0.512220107	 0.090393
+H	 2.085920582	-3.7306524071	 0.8291209763	 0.125348
+H	 1.8054162833	-3.0391375003	-0.7849408913	 0.140862
+H	 2.5792075152	-4.6290611434	-0.6150601403	 0.133216
+H	 1.3300655938	 0.8399634622	-1.089956519	 0.203899
+19
+0 1258	2.0148962	1.5166227	1.2450658	1.1136	77.1	-0.24776	0.01747	0.26523	1137.4686	0.154025	-422.509141	-422.499292	-422.498348	-422.543813	36.036
+C	 0.9215594572	 1.5774594107	 4.1737211903	-0.418725
+C	-0.4065608115	 1.8768445221	 3.4858372325	 0.082292
+O	-1.312491171	 2.5889340256	 4.3130414284	-0.437144
+C	-0.2231305469	 2.6266381592	 2.1466608413	 0.2306
+C	-1.4575912505	 2.5852660891	 1.2026336646	-0.335669
+C	-0.5525955048	 1.746753599	 0.2813935333	-0.072516
+O	 0.5542820242	 1.8319692875	 1.209529118	-0.314141
+C	 0.3469081507	 3.9533050771	 2.3699571032	 0.303196
+C	 0.7955291785	 5.048595362	 2.5868897792	-0.461709
+H	 0.7453458839	 1.0047461034	 5.0879153717	 0.120835
+H	 1.571843019	 1.0014183076	 3.5099055119	 0.138193
+H	 1.4392859971	 2.505714698	 4.4382003105	 0.119419
+H	-0.9123066631	 0.9345905808	 3.2464571672	 0.088677
+H	-0.9015697939	 3.4373113136	 4.5213021036	 0.282924
+H	-2.3207739458	 2.0760497098	 1.6317441887	 0.128192
+H	-1.7631605753	 3.5522597227	 0.8053271597	 0.122939
+H	-0.8612249917	 0.7085225656	 0.1153832883	 0.108118
+H	-0.305254079	 2.2044263759	-0.6828986686	 0.111121
+H	 1.2020504329	 6.0157591502	 2.7552848661	 0.203397
+19
+0 1259	1.9828863	1.4880391	1.2036745	2.209	76.75	-0.25315	0.03154	0.28469	1150.3195	0.154301	-422.505867	-422.496093	-422.495149	-422.540328	35.81
+C	 2.2513876618	-1.9073243354	 1.4220914386	-0.420117
+C	 1.5263609595	-1.2539050149	 2.5976362738	 0.079048
+O	 1.3361790088	-2.1629779281	 3.6701884215	-0.437922
+C	 0.1748989653	-0.6065867408	 2.2058888563	 0.075758
+C	-0.3598278637	 0.3341795791	 3.3245775711	-0.117719
+O	 0.0436884489	 1.5043423771	 2.5871683407	-0.270835
+C	 0.3248111	 0.7255907712	 1.4131024713	-0.11937
+C	-0.7541240092	-1.5974377503	 1.6948059732	 0.249972
+C	-1.5124629192	-2.4432089643	 1.2967220748	-0.442649
+H	 1.6394287775	-2.7027742304	 0.9842026638	 0.125273
+H	 2.4775015222	-1.1824144839	 0.6335852766	 0.118113
+H	 3.1918104677	-2.3428655863	 1.7688968449	 0.128847
+H	 2.1502343097	-0.4532568155	 3.0121861084	 0.099865
+H	 0.7530560479	-2.8630514035	 3.350805455	 0.283908
+H	-1.4460187908	 0.289695931	 3.4658076021	 0.106457
+H	 0.1459532621	 0.2448455386	 4.2907423844	 0.125118
+H	-0.4281425801	 0.8645135451	 0.6279136714	 0.107894
+H	 1.3209157774	 0.9335567454	 1.0056343341	 0.107873
+H	-2.1953286257	-3.1714418743	 0.9335954981	 0.200487
+19
+0 1260	3.0127035	1.3765409	1.1886905	1.6607	74.35	-0.23086	0.06992	0.30078	1105.5473	0.156322	-422.492849	-422.484477	-422.483533	-422.525957	31.941
+C	 1.4014090764	 3.4829004542	 1.5781747453	-0.38153
+C	 0.8812556957	 2.0908524709	 1.2338513274	-0.040772
+O	 0.2802133385	 2.1883961873	-0.0582847918	-0.429439
+C	-0.0861785164	 1.5682202775	 2.2470536733	 0.321413
+C	-0.7621503519	 0.2013602698	 2.4344719512	-0.203324
+C	-2.1486299655	 0.8418753682	 2.5011785008	-0.228893
+C	-1.3943615677	 2.1179482184	 2.9517637444	 0.016823
+O	-0.863588602	 1.7583404205	 4.2606007682	-0.294711
+C	 0.0254110235	 0.8865768694	 3.5676096496	 0.024598
+H	 1.9113547795	 3.4747093375	 2.5450384916	 0.12217
+H	 2.1010205143	 3.8214456859	 0.8096590454	 0.12397
+H	 0.5723975196	 4.1950779134	 1.6243442647	 0.125123
+H	 1.7347316809	 1.3908566505	 1.200203953	 0.066053
+H	-0.1057024566	 1.329683211	-0.2608928295	 0.28067
+H	-0.4670667515	-0.7559803622	 2.0218754757	 0.09003
+H	-2.5847644782	 0.9619746317	 1.5063491778	 0.104191
+H	-2.8871204594	 0.4442635851	 3.2041023396	 0.102645
+H	-1.8247266368	 3.1160226663	 2.9149211705	 0.091998
+H	 0.8623878974	 0.4501765446	 4.0971991327	 0.108985
+19
+0 1261	2.4075032	1.4098124	1.3041288	2.6544	75.76	-0.25067	-0.00779	0.24288	1110.9702	0.154579	-422.511709	-422.502577	-422.501633	-422.545752	33.616
+C	-0.3333262565	 3.7153776366	-2.1914367124	-0.401321
+C	-1.3890488342	 3.203664312	-1.1978452438	-0.128524
+C	-1.546922736	 4.1409150472	 0.00932614	-0.402211
+C	-1.0243142964	 1.821347147	-0.7420362498	 0.314588
+C	-0.9288096302	 0.475422376	-1.5147111375	-0.283062
+C	-0.8585193159	 0.1037016454	-0.0175791137	-0.076462
+O	-1.9141044367	 1.1158630931	 0.2441696633	-0.3449
+C	 0.1141747469	 1.2938018317	 0.1859984929	 0.443612
+O	 1.0667354735	 1.646679169	 0.8008005349	-0.322699
+H	 0.6508055344	 3.7809823077	-1.7155869361	 0.137077
+H	-0.2466819318	 3.0595800971	-3.063562089	 0.117619
+H	-0.6021379637	 4.7140051533	-2.5475498015	 0.120964
+H	-2.3540603767	 3.1332413459	-1.7178850298	 0.090183
+H	-2.2949363224	 3.7566634975	 0.7072959584	 0.136547
+H	-0.5995627158	 4.2397496725	 0.5491374531	 0.137165
+H	-1.8586684612	 5.1370313374	-0.3186518041	 0.112255
+H	-1.8731524383	 0.1854338438	-1.9790664667	 0.11992
+H	-0.0575953027	 0.2886157398	-2.1480305891	 0.113968
+H	-0.9555786363	-0.8624942229	 0.471585481	 0.115282
+19
+0 1262	2.5530432	1.4348896	1.1278157	2.5265	75.56	-0.23925	0.00948	0.24872999999999998	1135.4321	0.155961	-422.532777	-422.523868	-422.522924	-422.566535	33.279
+C	-1.6732419263	-2.0539536035	 0.9534445506	-0.420881
+C	-0.6824800194	-2.1467459701	-0.2078366801	-0.016487
+O	-1.1580515167	-2.9871945569	-1.2576986701	-0.424686
+C	-0.2983756176	-0.7831952605	-0.7268489516	 0.201752
+C	 0.7717705096	-0.4266013491	-1.8193392297	-0.275938
+C	 0.2034743204	 0.9760143767	-1.4152266947	-0.176533
+C	-1.2067303672	 0.2927963364	-1.4389780105	-0.284523
+C	 0.27812536	 0.4367811355	 0.0187725597	 0.43181
+O	 0.59406847	 0.7659909121	 1.1210551679	-0.338983
+H	-1.916301598	-3.0539314135	 1.3214470043	 0.125704
+H	-1.2521414	-1.463458119	 1.7729159021	 0.145826
+H	-2.6043892002	-1.5698174991	 0.6335780137	 0.107138
+H	 0.2315271564	-2.6411096519	 0.1437877943	 0.101228
+H	-2.0161420537	-2.64709989	-1.5346988241	 0.277554
+H	 1.817710705	-0.6368097838	-1.5875211206	 0.11315
+H	 0.5032810006	-0.7515760325	-2.8266150382	 0.114409
+H	 0.475615338	 1.9497764459	-1.8147119894	 0.097329
+H	-2.0047253152	 0.7583870113	-0.857257076	 0.113942
+H	-1.5420668454	 0.003566162	-2.4382688475	 0.10819
+19
+0 1263	3.1752222	1.4477824	1.2344426	2.1287	74.62	-0.23909	-0.00122	0.23787	1068.5666	0.156311	-422.520542	-422.512243	-422.511298	-422.553207	32.538
+C	-0.0680726551	 2.7710230837	 4.5129520682	-0.408221
+C	 1.0472924367	 1.9031953535	 3.9293945509	 0.006983
+O	 2.0552319898	 1.6247072547	 4.8973451323	-0.437079
+C	 0.5532647253	 0.586712906	 3.3710224129	 0.37765
+C	-0.7236680748	 0.329144174	 2.5060601534	-0.277442
+C	-0.5136349677	-1.0368483369	 3.2224689162	 0.013979
+O	-0.0630459637	-0.283079967	 4.399778972	-0.336359
+C	 0.8253442488	-1.5041977363	 2.6204485477	-0.092092
+C	 1.556916757	-0.3947560561	 2.7245270129	-0.116768
+H	-0.6415664234	 2.2045053321	 5.2527226986	 0.12935
+H	 0.3687961859	 3.6467932572	 4.9987389955	 0.122207
+H	-0.7568713789	 3.1128016745	 3.7335043628	 0.112025
+H	 1.5564155756	 2.4499187807	 3.1253683406	 0.088578
+H	 1.6934574963	 0.946251192	 5.4814131511	 0.292657
+H	-1.6006953575	 0.8680251919	 2.8713237317	 0.109031
+H	-0.6348777688	 0.3699675035	 1.4190483158	 0.100226
+H	-1.3117617714	-1.7501857297	 3.4215099684	 0.083468
+H	 1.0622507646	-2.4811869423	 2.2260757897	 0.112583
+H	 2.5802304413	-0.1790899557	 2.4568242792	 0.119223
+19
+0 1264	3.6613757	1.0840658	0.9697565	3.3161	76.22	-0.24211	-0.02605	0.21606	1269.5278	0.154361	-422.54036	-422.531167	-422.530223	-422.574463	33.939
+C	-3.228878907	 0.1795679435	-2.3143231053	-0.396726
+C	-2.6146009966	-0.9507695418	-1.4791622801	-0.100506
+C	-3.6752327435	-1.6546913921	-0.6134969232	-0.392507
+C	-1.488088577	-0.4613755672	-0.6100336376	 0.442614
+C	-0.4584950263	-1.3021802485	 0.1754360796	-0.427105
+C	 0.5358926738	-0.1252495679	-0.0613024901	 0.435674
+O	 1.7132561177	 0.0045261733	 0.0903286764	-0.29944
+C	-0.5432325252	 0.6845694332	-0.7688836041	-0.198011
+O	-1.651278767	 0.7285626181	 0.1615946127	-0.277835
+H	-3.6152892891	 0.9710780355	-1.6660999421	 0.137359
+H	-2.4922542332	 0.6229582008	-2.9911015476	 0.115632
+H	-4.0552192016	-0.2018269706	-2.920901054	 0.116
+H	-2.1808659403	-1.6967557285	-2.1594764585	 0.086296
+H	-4.125486749	-0.9499309136	 0.0930511454	 0.133409
+H	-4.4726127641	-2.0628927564	-1.2414654767	 0.117796
+H	-3.24275047	-2.4796795502	-0.0389223098	 0.120329
+H	-0.7289272272	-1.5329769358	 1.2074001548	 0.134979
+H	-0.1066422047	-2.2047642386	-0.334076377	 0.131425
+H	-0.4750457197	 1.4789241269	-1.5025168029	 0.120618
+19
+0 1265	2.9789516	1.2359266	1.0956227	4.3664	75.67	-0.27169	0.00466	0.27635	1190.2083	0.155394	-422.565229	-422.556235	-422.555291	-422.598996	33.408
+C	-3.1552567107	 1.0592440193	 1.1044842278	-0.396593
+C	-2.5657896082	 2.1453816054	 0.192942057	-0.086739
+C	-3.6668410523	 2.9905728477	-0.4703527252	-0.391079
+C	-1.6651862133	 1.5559826167	-0.8519877206	 0.503268
+C	-0.5029026649	 2.1486171631	-1.556329517	-0.343481
+C	-0.3468692402	 0.812819385	-0.8023555228	-0.351255
+C	-1.0720530231	-0.2355803132	-1.5965935777	 0.466563
+O	-0.8873390293	-1.3397863878	-1.9918300462	-0.326648
+O	-2.2326918407	 0.5213725976	-1.7268347637	-0.303832
+H	-3.7873465527	 1.5089185703	 1.8757132255	 0.115674
+H	-3.7667560043	 0.3610033126	 0.5260033019	 0.140884
+H	-2.3670729969	 0.4861153456	 1.6023556322	 0.117638
+H	-1.9353040885	 2.8106285226	 0.7982690927	 0.085477
+H	-4.3102291823	 3.4458352258	 0.2882841713	 0.116111
+H	-3.2404224917	 3.7913450846	-1.0820734497	 0.118233
+H	-4.2920811656	 2.3672616527	-1.1171244354	 0.139347
+H	-0.471449966	 2.1659212402	-2.6409217544	 0.137896
+H	-0.0134054347	 2.9838123044	-1.0632618065	 0.130446
+H	 0.3746324552	 0.6572307474	-0.0137648092	 0.12809
+19
+0 1266	3.1739856	1.1384221	1.0306216	4.812	76.89	-0.23567	-0.00346	0.23221	1226.9583	0.155179	-422.553429	-422.54432	-422.543376	-422.587311	34.058
+C	-2.8618903464	 0.0668000461	 2.9069179189	-0.413618
+C	-2.0042692856	 1.0286033406	 2.0789468494	 0.010325
+O	-1.1075771827	 1.7678567687	 2.9035143217	-0.437765
+C	-1.1634952617	 0.3034562723	 1.0679809259	 0.406278
+C	-1.6156472324	-0.0297450912	-0.3066947248	-0.349127
+C	-0.4255239752	 0.9153322782	-0.1557106359	-0.232825
+C	 0.7888073353	 0.1241315663	 0.2231844644	 0.434818
+O	 1.9307792673	 0.134758386	-0.1391679485	-0.320647
+C	 0.0674466496	-0.5555357397	 1.4179482636	-0.426684
+H	-3.4675830866	 0.6184539499	 3.6352960911	 0.108771
+H	-3.5449426168	-0.4990266099	 2.2661005067	 0.124671
+H	-2.2278534701	-0.6390413138	 3.4521405714	 0.13194
+H	-2.6720760318	 1.7179653956	 1.5341363815	 0.065778
+H	-1.6063407919	 2.1177401752	 3.6484580416	 0.284406
+H	-1.4764773261	-1.0292776376	-0.7098234463	 0.121141
+H	-2.5155500985	 0.4677244481	-0.6571064736	 0.123253
+H	-0.4528166744	 1.9183612154	-0.5633577483	 0.110964
+H	-0.0522280579	-1.6427921869	 1.3971501478	 0.111565
+H	 0.5436437259	-0.2509086134	 2.3532997134	 0.146756
+19
+0 1267	3.0788716	1.2621813	1.2171121	3.2636	73.99	-0.24684	0.04506	0.2919	1135.545	0.154117	-422.465753	-422.457018	-422.456074	-422.499151	33.056
+C	 1.7812727276	 0.1769334126	 3.2640882439	-0.397965
+C	 0.2913883824	 0.1753140702	 3.640682393	-0.104874
+C	-0.0068938955	-0.8054218765	 4.7864966376	-0.394682
+C	-0.5700248235	-0.1359391635	 2.452294036	 0.443792
+O	-1.9561081238	 0.2055611543	 2.4740931234	-0.270586
+C	-1.1616401662	 0.6672309746	 1.3789054833	-0.13199
+C	-0.9877905523	-0.5341270213	 0.366621742	-0.009208
+O	-1.6903925971	-1.6603705336	 0.8859249083	-0.21189
+C	-0.4082590823	-1.3522335761	 1.4296112092	-0.068517
+H	 2.3938165947	 0.4516728074	 4.1281052975	 0.119997
+H	 2.1098108856	-0.8142491566	 2.9323136084	 0.118325
+H	 1.9909056397	 0.8890055348	 2.4597838469	 0.116901
+H	 0.0119080165	 1.1843229542	 3.9688963681	 0.089538
+H	 0.2440445907	-1.8331145366	 4.5002329289	 0.117091
+H	 0.5806802094	-0.5533648258	 5.6747454025	 0.113043
+H	-1.066436015	-0.7799297042	 5.0553003956	 0.137143
+H	-1.1363473037	 1.7296112331	 1.1684017047	 0.110146
+H	-0.7893418003	-0.487221477	-0.6966479583	 0.112364
+H	 0.3586718833	-2.11639769	 1.4080638991	 0.111373
+19
+0 1268	3.0361906	1.2727475	1.2285093	2.4568	74.41	-0.2267	0.064	0.2907	1118.8712	0.155075	-422.479456	-422.470835	-422.469891	-422.51258	33.181
+C	-2.4104420884	-3.8325017742	 0.0075097438	-0.411051
+C	-1.8389744179	-2.4122441669	 0.0668032137	 0.008509
+O	-1.3269160564	-2.0073221985	-1.2050351929	-0.442102
+C	-2.8765581449	-1.4038609948	 0.4536453867	 0.362499
+C	-3.2160546092	-1.0179556676	 1.8683489578	-0.353002
+C	-2.7099374093	 0.0382012492	 0.9197588038	-0.171362
+C	-3.8162600965	 0.4627123222	-0.0955380864	 0.027528
+O	-5.0319863555	-0.2490101329	 0.1886889928	-0.247415
+C	-3.9880478201	-0.9117449838	-0.541034368	-0.031227
+H	-2.7903719646	-4.1384925882	 0.9868165597	 0.126028
+H	-3.229976811	-3.88847195	-0.7156867928	 0.126257
+H	-1.6391370662	-4.5517109467	-0.292917823	 0.103244
+H	-1.0351384303	-2.3857923801	 0.821987993	 0.063307
+H	-0.7667718174	-2.7156625357	-1.5382586097	 0.280821
+H	-4.2465331344	-1.0056785059	 2.199768877	 0.135509
+H	-2.4917777813	-1.338370626	 2.6113740862	 0.109333
+H	-1.7898999419	 0.5862941677	 1.0723313502	 0.097077
+H	-3.8969101871	 1.4064829147	-0.619957971	 0.10788
+H	-4.2278823377	-1.3338168624	-1.5083992008	 0.10817
+19
+0 1269	3.0945951	1.2607669	1.2129409	1.5184	74.16	-0.23061	0.0617	0.29231	1130.7844	0.154936	-422.481478	-422.472738	-422.471794	-422.514856	33.415
+C	-3.8342618201	 5.1238859212	 2.6751222086	-0.418445
+C	-5.2367705598	 5.5298839972	 2.2218274412	-0.011166
+O	-6.1629504729	 5.5586712778	 3.3042425804	-0.423208
+C	-5.74108098	 4.6392690334	 1.1194914425	 0.445113
+O	-5.1634500024	 4.7857047298	-0.1878529627	-0.296601
+C	-6.5947249414	 4.8578484442	-0.0417288246	-0.075304
+C	-7.1748212343	 3.4128101094	 0.0626220381	-0.082143
+C	-6.086598517	 2.3731366432	 0.0103193781	-0.289045
+C	-6.2827143339	 3.1708929386	 1.2718977018	-0.145161
+H	-3.4893502425	 5.7857115821	 3.4740288099	 0.124614
+H	-3.8305400008	 4.0931131739	 3.0510534503	 0.112555
+H	-3.1302772436	 5.1766657709	 1.8398532682	 0.14032
+H	-5.211002289	 6.5533968516	 1.8315117163	 0.100221
+H	-6.0514382947	 4.7450738874	 3.8074760081	 0.281926
+H	-7.0912383701	 5.7432611236	-0.4207527885	 0.108579
+H	-8.2261594062	 3.1840668478	-0.0462141176	 0.095844
+H	-6.4371659253	 1.3472270537	 0.0628157735	 0.111196
+H	-5.2113567258	 2.5337591997	-0.6060506436	 0.136188
+H	-6.5638798103	 2.7277888947	 2.2182012701	 0.084517
+19
+0 1270	3.1062851	1.2637195	1.173328	1.6147	75.08	-0.24377	0.00188	0.24564999999999998	1140.4391	0.155775	-422.55213	-422.54331	-422.542366	-422.585589	33.318
+C	 1.378536102	 2.4649377909	 2.3237896397	-0.423292
+C	 1.7476107345	 2.4375428693	 0.8409878384	 0.025354
+O	 2.866706472	 3.270043778	 0.5502149945	-0.426649
+C	 1.9787349651	 1.0215333287	 0.3445006188	 0.422953
+C	 3.2084971574	 0.2120926836	 0.7664300654	-0.342228
+C	 3.3935330144	-0.7620917744	-0.3792968188	-0.076891
+C	 2.503327218	-0.5699533312	-1.3558306144	-0.073525
+C	 1.562550923	 0.5256547034	-0.9799598887	-0.07883
+O	 0.792345102	 0.229164861	 0.2161247103	-0.310182
+H	 0.4950851789	 1.8471817939	 2.5072283387	 0.143063
+H	 2.1973644056	 2.0717102285	 2.9399158676	 0.108977
+H	 1.168394435	 3.4888382569	 2.6448981883	 0.123816
+H	 0.9145259381	 2.850594336	 0.2613428553	 0.09459
+H	 3.5021673196	 3.1743501007	 1.2668174514	 0.281553
+H	 4.0864727998	 0.860298142	 0.8847699005	 0.105445
+H	 3.0507199	-0.3016004705	 1.7220960315	 0.122589
+H	 4.1542174881	-1.5345368985	-0.363775711	 0.10203
+H	 2.4323035561	-1.1316063845	-2.278664832	 0.103093
+H	 1.0460540705	 1.1350261863	-1.7156211654	 0.098134
+19
+0 1271	2.3965623	1.4381088	1.2349406	4.0778	74.71	-0.27168	0.00287	0.27454999999999996	1123.4705	0.155549	-422.561264	-422.552272	-422.551327	-422.595048	33.29
+C	-1.6215100297	 3.6079112686	 0.013820254	-0.392367
+C	-1.9962118768	 2.5711305956	 1.0866220208	-0.08933
+C	-1.3017232086	 2.8705380214	 2.4244569627	-0.401898
+C	-1.6697546863	 1.1810018306	 0.5991382557	 0.14297
+C	-2.5965744131	 0.304736727	-0.2662543148	-0.348015
+C	-2.0618511306	-0.2163083611	 1.0158716003	 0.027933
+O	-0.7111998925	-0.7138834219	 0.7914596244	-0.266826
+C	-0.288226569	 0.5745875063	 0.4840952843	 0.443756
+O	 0.8245990439	 0.9408215861	 0.2831905116	-0.336335
+H	-1.8676641479	 4.6195374861	 0.350896988	 0.112791
+H	-0.5480802099	 3.5695507424	-0.1965444111	 0.144102
+H	-2.1559307681	 3.4209290307	-0.9227321278	 0.115169
+H	-3.0825442157	 2.6148064584	 1.2441170978	 0.076703
+H	-1.5941937957	 2.1505631771	 3.1954553854	 0.113315
+H	-0.213311469	 2.8265857795	 2.3151473632	 0.142243
+H	-1.5642371752	 3.871765028	 2.7795055702	 0.115852
+H	-3.6310658827	 0.6380056187	-0.2614654027	 0.129404
+H	-2.25197168	-0.1262066536	-1.2010271839	 0.138077
+H	-2.5914081832	-0.5960883597	 1.8777821119	 0.132456
+19
+0 1272	2.3993637	1.4311727	1.2171241	2.6288	75.59	-0.24051	-0.02558	0.21493	1136.0267	0.15445	-422.541103	-422.531852	-422.530908	-422.575237	33.93
+C	-1.1741874804	-1.537547972	-0.8893309302	-0.40695
+C	-1.4413876248	-0.0374130443	-1.0919043717	-0.110731
+C	-0.746385063	 0.5003540202	-2.3547438935	-0.400939
+C	-0.9972143858	 0.7440932456	 0.1085551269	 0.331095
+O	-1.4877875927	 2.0976191243	 0.2927044629	-0.291716
+C	-1.6511474357	 1.183439127	 1.3730184865	-0.064144
+C	-0.3395914628	 1.2356612771	 2.1668296626	-0.370628
+C	 0.3448161568	 0.7454869343	 0.8519678504	 0.383598
+O	 1.4428842895	 0.3553365844	 0.5856135983	-0.304269
+H	-1.6971308423	-1.9223350076	-0.0078052691	 0.112112
+H	-1.5165434026	-2.105763329	-1.759254971	 0.118589
+H	-0.1041874355	-1.7286202116	-0.7611568126	 0.142587
+H	-2.5223708035	 0.123531677	-1.1927558083	 0.088347
+H	-1.090333145	-0.040265191	-3.2417834216	 0.113038
+H	-0.960870554	 1.5633726889	-2.4958066168	 0.131181
+H	 0.3386229278	 0.3770810355	-2.2790695714	 0.139068
+H	-2.655920309	 0.9704275479	 1.7169772251	 0.120029
+H	-0.0591073069	 2.2195924106	 2.547089251	 0.137574
+H	-0.2358666403	 0.4826253225	 2.9542409125	 0.132156
+19
+0 1273	2.4332392	1.4943796	1.2116686	3.0949	76.04	-0.24552	-0.01348	0.23204	1112.2532	0.155721	-422.554772	-422.545797	-422.544853	-422.588505	33.661
+C	-0.4560763162	 3.417758147	-1.5249731359	-0.405885
+C	-0.8918352561	 2.0475621287	-2.0583712936	 0.005463
+O	 0.1517086239	 1.4193873812	-2.7907724106	-0.437546
+C	-1.3696164855	 1.1504878277	-0.9404856578	 0.251867
+C	-2.7390354802	 1.2360328431	-0.2864538358	-0.335593
+C	-2.3520025684	-0.0702304257	-0.8774914449	-0.11647
+C	-1.432564788	-0.822707732	 0.0976231184	-0.353139
+C	-0.433614153	 0.3430118813	-0.1041497757	 0.360482
+O	 0.7574062635	 0.4322308519	 0.0582428581	-0.345132
+H	 0.3435651178	 3.2975999375	-0.7866005167	 0.132654
+H	-0.0816114284	 4.0332503787	-2.3471451685	 0.123763
+H	-1.2887895603	 3.9403577639	-1.0435316623	 0.11305
+H	-1.7080342305	 2.1829088638	-2.7795517853	 0.087901
+H	 0.8694971422	 1.2509492742	-2.1660187273	 0.294444
+H	-2.8344012531	 1.347627352	 0.7907861034	 0.120779
+H	-3.446931559	 1.8320877558	-0.8557173884	 0.127959
+H	-2.8553596596	-0.5140858746	-1.7257199889	 0.117241
+H	-1.8287916904	-0.9936294569	 1.1026068367	 0.121283
+H	-1.0083967787	-1.7530515376	-0.2885460848	 0.13688
+19
+0 1274	3.0113097	1.3736992	1.1227644	2.0309	75.56	-0.24457	0.00394	0.24851	1137.6627	0.156035	-422.551743	-422.543067	-422.542123	-422.584974	33.141
+C	-7.5005476259	 0.9101436149	-2.4209104353	-0.410093
+C	-6.1657610108	 0.9782893778	-1.6841982173	 0.022976
+O	-6.3287406292	 1.1553094792	-0.2788192734	-0.422113
+C	-5.2160452297	 2.0300514358	-2.224247274	 0.366916
+O	-5.0816473275	 2.107117772	-3.6652558979	-0.301685
+C	-5.5608435273	 3.2624106583	-2.9694240121	-0.041849
+C	-4.4907391541	 4.3097748817	-2.6869728231	-0.293357
+C	-3.5182851926	 3.5693669828	-1.7891880071	-0.085906
+C	-3.9297643771	 2.3303328448	-1.5137665154	-0.117949
+H	-8.0757687522	 1.8318362114	-2.2729264863	 0.103755
+H	-7.3411286463	 0.7759978901	-3.4936114505	 0.139524
+H	-8.0938547481	 0.0766770031	-2.0373826909	 0.122816
+H	-5.6627154755	 0.0067188177	-1.7747891439	 0.099046
+H	-6.7433240832	 2.0143949221	-0.1403434917	 0.278668
+H	-6.5772766428	 3.5594505166	-3.2128992976	 0.093797
+H	-4.0182762322	 4.6602856014	-3.6126804829	 0.127475
+H	-4.9176968316	 5.1925424279	-2.1934121244	 0.110266
+H	-2.5867978006	 4.012005936	-1.454879372	 0.101691
+H	-3.4232436032	 1.6079208565	-0.8869026341	 0.106023
+19
+0 1275	3.2758242	1.4369366	1.2676159	1.9195	73.85	-0.2389	0.0698	0.3087	1056.1857	0.156383	-422.498455	-422.490337	-422.489393	-422.53087	31.9
+C	 2.4352520951	-1.5483406117	 1.5231861559	-0.407062
+C	 1.119357141	-0.767210794	 1.4364625571	-0.001557
+O	 0.0134434477	-1.622395627	 1.18301087	-0.436984
+C	 1.1747879102	 0.297228297	 0.3740423895	 0.437493
+C	 2.1826505373	 1.4742493986	 0.2889636738	-0.281611
+C	 1.1761893858	 2.0934627198	-0.6808420975	-0.125157
+C	 0.5686886069	 0.8910060536	-1.423311805	 0.099757
+O	 1.2439312778	-0.2868373521	-0.9783483914	-0.346877
+C	 0.0270044961	 1.2747871419	-0.0953280203	-0.20671
+H	 2.3292098253	-2.3617542304	 2.24494143	 0.124141
+H	 2.6895788968	-1.9764544481	 0.5486796245	 0.131676
+H	 3.2610996103	-0.9035358251	 1.8412853678	 0.11495
+H	 0.9136673109	-0.284265185	 2.3997664544	 0.089856
+H	 0.048700101	-1.8186917088	 0.2376031715	 0.286351
+H	 2.2289451268	 2.0341028259	 1.2267850351	 0.106811
+H	 3.1880877551	 1.2283946648	-0.0662131354	 0.103418
+H	 1.1462424371	 3.0999682304	-1.0776320703	 0.094548
+H	 0.1539634482	 0.9156189217	-2.4220657115	 0.110439
+H	-0.9554104595	 1.5213373183	 0.2802987217	 0.106515
+19
+0 1276	3.0172033	1.3153124	1.3103103	0.5865	74.45	-0.24218	0.05095	0.29313	1095.4204	0.154356	-422.453908	-422.445385	-422.444441	-422.48709	32.293
+C	-0.4066186811	 1.0002717687	 0.7352886595	-0.393032
+C	-1.5445027249	 1.9713792152	 0.3832182998	-0.13787
+C	-2.7530189914	 1.239923422	-0.2219620873	-0.393037
+C	-1.0557958379	 3.041684857	-0.5467130384	 0.477376
+O	-0.5504899328	 2.6786626457	-1.8756005781	-0.358962
+C	-0.4052795572	 4.1231883833	-1.8703056752	 0.035103
+C	-1.7010902501	 4.3845609629	-1.0460153861	-0.020057
+O	-1.04164125	 5.2044541317	-0.040753892	-0.327679
+C	-0.0254842555	 4.213616809	-0.3621724038	-0.020057
+H	-0.7612349418	 0.2256957148	 1.421825287	 0.113469
+H	-0.0258428848	 0.5113817247	-0.1664273694	 0.136674
+H	 0.4280924068	 1.5207999596	 1.2147868907	 0.115171
+H	-1.8638786236	 2.4922049491	 1.2964632064	 0.096023
+H	-3.1153926538	 0.4661099531	 0.4613764747	 0.11347
+H	-3.5789435555	 1.9300529724	-0.4198995269	 0.115173
+H	-2.4790449361	 0.7619716379	-1.1672648955	 0.136669
+H	 0.0039386719	 4.6202397947	-2.7487471387	 0.104471
+H	-2.7167710144	 4.63169476	-1.3537860456	 0.103547
+H	 0.9410465521	 4.258527378	 0.139032439	 0.103547
+19
+0 1277	2.8811222	1.5949188	1.22437	2.8774	74.53	-0.24425	0.0618	0.30605	1054.8578	0.156013	-422.471329	-422.463149	-422.462205	-422.504168	31.692
+C	 0.1446395178	 1.6030873692	-2.3855661254	-0.391071
+C	-0.7121432904	 1.5897656964	-1.1207447686	 0.019007
+O	-0.6276714766	 2.8696045843	-0.5001074429	-0.457455
+C	-0.2987648544	 0.5144095049	-0.1495904656	 0.305408
+C	-0.1053694125	-1.0131077966	-0.2963034135	-0.342085
+C	 0.2404789208	-0.7632592309	 1.1902570066	-0.099819
+C	 0.8798021898	 0.6211227099	 0.878657308	 0.047598
+O	 0.0880836289	 1.3546191218	 1.8751178847	-0.335789
+C	-0.8305253386	 0.3561257603	 1.31635307	 0.030234
+H	 1.2024865269	 1.7259898928	-2.1322454353	 0.114344
+H	 0.0221527595	 0.6768593134	-2.9563291678	 0.109817
+H	-0.1526701251	 2.4431798082	-3.0187763728	 0.12759
+H	-1.759614436	 1.3999915233	-1.4137562679	 0.067794
+H	-0.4908126612	 2.7381041295	 0.4486749383	 0.294909
+H	-1.0052736523	-1.6020441599	-0.494177184	 0.105727
+H	 0.7146958472	-1.3427385718	-0.9396923478	 0.107929
+H	 0.547300827	-1.4628032155	 1.9666595792	 0.09063
+H	 1.9223745958	 0.9015022432	 0.7345936592	 0.103847
+H	-1.8518204667	 0.3176506175	 1.6946709955	 0.101384
+19
+0 1278	3.0564149	1.347777	1.3271135	1.9943	74.79	-0.23943	0.06815	0.30758	1074.0025	0.155755	-422.474527	-422.466226	-422.465282	-422.507356	32.03
+C	-1.2785090093	-1.4943935442	 1.4943818493	-0.403879
+C	-1.0056127307	-1.1669645713	 0.0238030515	-0.027864
+O	-0.3659840591	-2.2457416323	-0.6478223288	-0.432577
+C	-0.1564284476	 0.0646323112	-0.1260720983	 0.502137
+O	 1.2170872405	-0.0345808009	 0.3994010154	-0.380378
+C	 1.1302116189	 1.2993594314	-0.1851760032	 0.085041
+C	 0.2652320513	 0.8642720415	-1.4040147947	-0.1401
+C	-0.781883064	 1.9673399905	-1.1374962413	-0.282036
+C	-0.334299435	 1.5642631611	 0.2845398028	-0.154492
+H	-1.8144165905	-2.4439392329	 1.5657457444	 0.123388
+H	-0.3366655745	-1.5778354632	 2.0452793891	 0.131354
+H	-1.8822046917	-0.7129225929	 1.9673198387	 0.113576
+H	-1.9538511262	-1.0050263602	-0.5035799411	 0.094462
+H	 0.5594631253	-2.2269859817	-0.3727710433	 0.291223
+H	 2.0063898218	 1.9452000397	-0.1397501768	 0.09735
+H	 0.6232364566	 0.4410822286	-2.34150324	 0.090933
+H	-0.5174297548	 2.9774272942	-1.461267546	 0.101545
+H	-1.8156170064	 1.7398412013	-1.4105803668	 0.104838
+H	-0.6481782049	 1.94233203	 1.2573624689	 0.085477
+19
+0 1279	3.4469116	1.2302522	1.159355	0.9403	74.06	-0.23001	0.06989	0.2999	1131.918	0.155924	-422.491454	-422.483032	-422.482088	-422.524579	32.207
+C	 2.9422711956	 2.3227998182	 4.8450245061	-0.401493
+C	 1.5944088735	 2.3008836829	 5.5719673536	-0.013644
+O	 1.7703957881	 2.1793608112	 6.9845153659	-0.423756
+C	 0.6750065877	 1.243692576	 5.0274332127	 0.309471
+C	 0.8464354959	-0.281376853	 5.0459577021	-0.306488
+C	-0.633699809	-0.319363774	 4.5879849902	 0.067296
+O	-0.5887050189	 0.2338371923	 3.2408563049	-0.298731
+C	-0.3106929384	 1.4862464219	 3.8620547688	 0.047618
+C	-0.8389095753	 1.1149579284	 5.2038260539	-0.204513
+H	 3.5869756077	 3.0951520476	 5.2723998697	 0.123547
+H	 3.452014568	 1.3568086914	 4.9435235392	 0.111709
+H	 2.8115675499	 2.5213858244	 3.7768147003	 0.12234
+H	 1.1080239208	 3.2772506816	 5.4484275517	 0.085948
+H	 2.2423101485	 1.3552982671	 7.1473193064	 0.276691
+H	 1.5729872544	-0.7556308082	 4.3780004923	 0.101283
+H	 0.9560544096	-0.656012851	 6.0680072473	 0.099747
+H	-1.2673333328	-1.1987015564	 4.6782171854	 0.089539
+H	-0.3635579173	 2.3932852664	 3.2738003806	 0.108472
+H	-1.5389439781	 1.5622594929	 5.8953091188	 0.104965
+19
+0 1280	3.4365545	1.3119216	1.225494	2.0477	74.33	-0.23716	0.07414	0.3113	1097.9466	0.156236	-422.496326	-422.488026	-422.487082	-422.52917	32.011
+C	 0.4150925848	 1.4777764892	 5.319081513	-0.396984
+C	 0.8902363914	 1.90389197	 3.9250968899	-0.004319
+O	 1.0406226727	 3.3165505368	 3.8379087166	-0.432827
+C	-0.0395208421	 1.4204122934	 2.8572427349	 0.499707
+O	-1.3681461893	 1.9733115507	 2.8565864516	-0.348358
+C	-1.500776166	 1.4225826499	 1.5121644825	 0.064305
+C	-1.5748128662	-0.1060050755	 1.7590340026	-0.234933
+C	-0.1171445371	 0.0302035084	 2.2037943864	-0.170952
+C	 0.0613928546	 1.3057907803	 1.3754135288	-0.21527
+H	 0.425931055	 0.3880029839	 5.4225354435	 0.113188
+H	 1.0684033584	 1.9129226841	 6.0791315778	 0.121023
+H	-0.6073789588	 1.8264170115	 5.4943508587	 0.12858
+H	 1.8848597987	 1.4840189738	 3.7308979392	 0.090132
+H	 0.1538083412	 3.6753196134	 3.7117126658	 0.287407
+H	-2.203150595	 1.9683348544	 0.88619195	 0.089475
+H	-2.3265218479	-0.4465285207	 2.4778507418	 0.102887
+H	-1.6533230506	-0.6638168022	 0.8224221592	 0.107284
+H	 0.6103680096	-0.7478371967	 2.3974701553	 0.093964
+H	 0.7950189066	 1.6257195952	 0.6493728025	 0.105691
+19
+0 1281	3.6196032	0.9532161	0.8609833	4.6715	80.26	-0.23074	-0.03832	0.19242	1383.5841	0.155935	-422.599964	-422.590596	-422.589652	-422.634805	33.919
+C	-0.814443731	 0.8306147721	 2.7973669803	-0.407949
+C	-1.2714597505	 1.7205386765	 1.6305297335	 0.025646
+O	-0.3098914272	 2.7314997877	 1.3427732866	-0.435912
+C	-1.4561997458	 0.9158577996	 0.3739377872	 0.363507
+C	-2.6017316744	 0.3662050138	-0.0551753396	-0.325189
+C	-2.3892387902	-0.3973554862	-1.3024796914	 0.400164
+O	-3.2174231549	-1.0098415898	-1.9368228456	-0.339192
+C	-0.8969031057	-0.2655617789	-1.6539467933	-0.344766
+C	-0.2909028374	 0.6135707344	-0.5453521652	-0.306631
+H	-1.5608215996	 0.0623983346	 3.0179120119	 0.13216
+H	 0.1358611789	 0.342499651	 2.5627983701	 0.131563
+H	-0.6760281768	 1.4364001206	 3.700509829	 0.112315
+H	-2.2367756378	 2.1772518672	 1.8986262099	 0.081658
+H	-0.1178103779	 3.1994631446	 2.1614314431	 0.286991
+H	-3.5747974284	 0.4506545905	 0.413510498	 0.104259
+H	-0.4501203553	-1.2630616787	-1.7015227006	 0.131267
+H	-0.7975159774	 0.1711938316	-2.6517637269	 0.133299
+H	 0.5178181647	 0.1136552282	 0.0007478951	 0.116925
+H	 0.1376369966	 1.5479730013	-0.920212342	 0.139884
+19
+0 1282	3.47879	1.1703261	1.0388578	0.5072	76.25	-0.23045	0.00266	0.23310999999999998	1207.7991	0.156641	-422.514703	-422.506307	-422.505363	-422.547927	32.137
+C	 2.2874994618	-2.4041207473	-0.2014373486	-0.400491
+C	 1.2258080959	-2.2232841541	 0.8941354187	-0.028389
+O	 1.7249143268	-2.6165804924	 2.1660134695	-0.417202
+C	 0.6754487774	-0.8320482047	 0.9261844778	 0.377017
+C	 0.5792415234	 0.0552308279	 1.9213962309	-0.232233
+C	-0.0663855822	 1.2547827588	 1.2063394947	 0.0248
+C	-1.2209662062	 0.5650160886	 0.4186278556	-0.21628
+C	 0.0610058381	-0.0217012361	-0.2434172991	-0.049233
+O	 0.6857200771	 1.2901206881	-0.0566615863	-0.284716
+H	 3.1219453183	-1.7115450983	-0.0441860732	 0.119435
+H	 2.6698160902	-3.4277846449	-0.1761039726	 0.125826
+H	 1.8756878991	-2.2095228115	-1.1964310016	 0.119767
+H	 0.4052502996	-2.9272535427	 0.6937113856	 0.10205
+H	 2.4507664299	-2.019622152	 2.3820744093	 0.279332
+H	 0.8473146714	-0.0280855692	 2.9635777758	 0.111894
+H	-0.1559008878	 2.2160849477	 1.7099482663	 0.081716
+H	-1.8950258179	-0.1067313766	 0.954050532	 0.099773
+H	-1.7555715415	 1.2527747572	-0.2408500496	 0.10776
+H	 0.1012898468	-0.4048957085	-1.262531285	 0.079174
+19
+0 1283	3.6772783	1.0253676	1.0220718	1.8138	76.81	-0.24238	-0.00412	0.23826	1261.5912	0.156466	-422.550675	-422.542041	-422.541097	-422.584137	32.696
+C	 3.7168221915	 2.5816969964	 0.2328427952	-0.388434
+C	 4.2675463169	 3.8853405896	 0.8052737693	 0.030984
+O	 5.5436998284	 3.5676750537	 1.3711385747	-0.430675
+C	 3.3783200658	 4.5069832524	 1.8479571306	 0.307277
+C	 2.9040694712	 5.7597505572	 1.8404492274	-0.232208
+C	 2.2117321814	 6.0702929885	 3.1248936459	 0.01178
+O	 3.0958751406	 5.9835370819	 4.2703628794	-0.261133
+C	 2.2890648012	 4.8501132848	 3.9473663502	 0.036183
+C	 3.0021622305	 3.7787033669	 3.132759063	-0.333071
+H	 3.5884477965	 1.8358628474	 1.0223390072	 0.126455
+H	 2.751774482	 2.7520194538	-0.2525110079	 0.117928
+H	 4.4163823197	 2.1785418499	-0.5042121922	 0.126324
+H	 4.3896216784	 4.6072425173	-0.0178529472	 0.066568
+H	 5.8871019997	 4.371016948	 1.7773009999	 0.285324
+H	 3.0423194395	 6.4793237363	 1.0418211875	 0.098184
+H	 1.4263652855	 6.8151758909	 3.206439119	 0.096808
+H	 1.5435796967	 4.5805864815	 4.6906715888	 0.095521
+H	 3.8854509874	 3.381974933	 3.6442280243	 0.133145
+H	 2.3359918569	 2.9288660604	 2.9376446648	 0.11304
+19
+0 1284	3.3576525	0.9585738	0.8842935	2.8447	78.3	-0.24155	-0.0176	0.22394999999999998	1375.6396	0.155355	-422.594851	-422.585533	-422.584589	-422.629521	34.13
+C	 0.7877628623	 2.7303030241	-1.5630459969	-0.387783
+C	 1.1317307125	 1.4092490788	-0.8784025686	 0.022024
+O	 1.9149447553	 0.664923729	-1.8172025618	-0.42932
+C	-0.0794688631	 0.6205912261	-0.4603937906	 0.318508
+C	-0.3808166036	 0.2510997737	 0.7896140807	-0.20685
+C	-1.6421503291	-0.5606769386	 0.8819635121	-0.368106
+C	-2.0870069125	-0.684129768	-0.586805397	 0.392216
+O	-3.0464566534	-1.289698079	-0.9836523469	-0.300606
+C	-1.0921501666	 0.1023435831	-1.4545220919	-0.417485
+H	 0.2117567729	 3.3728988439	-0.8915622595	 0.118985
+H	 1.7077440706	 3.2485886701	-1.8459882655	 0.127644
+H	 0.2042401117	 2.5555826931	-2.4712888553	 0.127814
+H	 1.7274291833	 1.6257437109	 0.0228005129	 0.06654
+H	 2.1621202091	-0.1651619424	-1.3961147242	 0.282162
+H	 0.2164335105	 0.5057627929	 1.6592155042	 0.096368
+H	-1.5007730979	-1.5576897415	 1.3188330618	 0.137063
+H	-2.435316895	-0.0823835765	 1.4720069345	 0.138945
+H	-0.651380289	-0.542365395	-2.2237339894	 0.14314
+H	-1.6242367681	 0.8953769552	-1.9954838785	 0.138741
+19
+0 1285	3.1614982	1.1919678	1.0567407	2.3647	77.06	-0.24295	-0.00201	0.24094	1210.8601	0.156386	-422.550635	-422.54193	-422.540986	-422.584185	32.732
+C	 4.8155970457	-0.5231013596	 0.398558066	-0.385909
+C	 4.1616053117	 0.7928327551	-0.0221642668	 0.020027
+O	 4.1304748633	 0.7857640176	-1.4506661116	-0.431841
+C	 2.776444489	 0.9658239713	 0.5300257991	 0.324055
+C	 2.3499505431	 1.8833015188	 1.4063211238	-0.213704
+C	 0.8706964126	 1.7622941702	 1.711055598	-0.287704
+C	 0.4222629839	 0.6496989687	 0.7698614261	 0.041166
+O	 0.6098129044	 0.943603885	-0.6164519611	-0.262995
+C	 1.6100995781	 0.145851657	 0.06063372	-0.06042
+H	 4.9428417288	-0.5595850132	 1.4837685463	 0.117524
+H	 4.2071227984	-1.3769182345	 0.086119859	 0.123321
+H	 5.7960380253	-0.6139547678	-0.0770970191	 0.12693
+H	 4.7872150808	 1.6236959273	 0.3423696637	 0.066069
+H	 3.5916712251	 1.5318026161	-1.7353100901	 0.289423
+H	 2.9705394309	 2.66280433	 1.8362844111	 0.098003
+H	 0.6879454605	 1.4910961245	 2.75907642	 0.113959
+H	 0.3280052478	 2.6970324714	 1.5248632365	 0.125367
+H	-0.4422900256	 0.0343071705	 1.0031500941	 0.095765
+H	 1.7192332063	-0.8664462386	-0.3142771951	 0.100966
+19
+0 1286	2.6529589	1.3323894	0.9809837	4.2983	78.1	-0.26628	-0.03557	0.23071000000000003	1242.8471	0.156733	-422.614405	-422.605452	-422.604507	-422.648262	32.879
+C	-4.8211961892	 0.5566947524	-0.0451574178	-0.401589
+C	-3.6754264844	 1.0138661616	-0.9535725417	-0.069993
+C	-4.0665789497	 0.9350196773	-2.4440775121	-0.396337
+C	-2.4024795918	 0.2571052928	-0.7056679553	 0.179861
+C	-2.1492767051	-0.8545035792	-0.0108413073	-0.228084
+C	-0.6885972497	-1.1796818594	-0.0958606091	-0.130358
+O	-0.1232769335	-0.1480519026	-0.9011434285	-0.226694
+C	-1.1078519091	 0.7276774726	-1.2796905844	 0.406763
+O	-0.8862955879	 1.6936864821	-1.956960366	-0.3553
+H	-5.0976240468	-0.4842918868	-0.2490696621	 0.11544
+H	-4.5533746024	 0.6350630294	 1.0132869277	 0.116053
+H	-5.7104851214	 1.1708528066	-0.2148946045	 0.118857
+H	-3.4542671337	 2.0684117598	-0.7391914157	 0.103428
+H	-4.3006483935	-0.0964984686	-2.7295698081	 0.111832
+H	-4.9519009295	 1.54922689	-2.6353208219	 0.114323
+H	-3.2528148807	 1.2961188839	-3.0763480047	 0.149412
+H	-2.8500269275	-1.4604391366	 0.5483074467	 0.122877
+H	-0.1940945645	-1.1795757381	 0.884084246	 0.13481
+H	-0.4940383592	-2.1507874971	-0.5691941711	 0.134698
+19
+0 1287	2.5725013	1.3043133	0.964457	3.092	78.82	-0.23813	-0.04251	0.19562000000000002	1255.9275	0.156237	-422.601277	-422.592011	-422.591067	-422.635669	33.759
+C	-3.3707362554	-1.7474374814	-2.8151315192	-0.386743
+C	-2.0908623465	-0.9114385557	-2.8255443688	 0.024757
+O	-2.3200026633	 0.1983498681	-3.6881787266	-0.427048
+C	-1.6988356047	-0.4773970597	-1.4390743842	 0.173672
+C	-1.772954493	 0.7475066722	-0.9003338466	-0.164625
+C	-1.2810838289	 0.8143807397	 0.5241437357	-0.267886
+C	-0.8466746765	-0.6301766323	 0.8392828498	-0.32633
+C	-1.1339423316	-1.4247779128	-0.4425367939	 0.33208
+O	-0.9356602055	-2.6078787504	-0.6110840463	-0.339515
+H	-3.2326444759	-2.6305517814	-2.1872982782	 0.142744
+H	-4.2045545046	-1.1554790063	-2.4263262005	 0.119598
+H	-3.6122652443	-2.0656449761	-3.8324970248	 0.123309
+H	-1.2799000976	-1.545376225	-3.2181419392	 0.08648
+H	-1.4858298052	 0.6682123009	-3.7902651215	 0.280477
+H	-2.1521219547	 1.6189101965	-1.423305029	 0.116183
+H	-0.4579944797	 1.532705854	 0.6224040252	 0.119825
+H	-2.0722402732	 1.1725460079	 1.1941038028	 0.12283
+H	 0.2152694729	-0.7155257485	 1.0878856522	 0.134452
+H	-1.4000774224	-1.0743466498	 1.671771063	 0.135742
+19
+0 1288	2.1296369	1.1733353	0.8710432	2.1133	79.53	-0.23731	0.04629	0.28359999999999996	1367.7397	0.153758	-422.506834	-422.496643	-422.495699	-422.541843	37.671
+C	 0.4423382293	 2.9564337222	 1.294143309	-0.416733
+C	-1.0515191075	 2.7848234443	 1.0253303187	 0.117218
+O	-1.8254804032	 3.375114315	 2.0695723585	-0.427756
+C	-1.542963043	 1.35917394	 0.7860934277	-0.082529
+C	-0.9607973856	 0.3840657497	-0.181815842	 0.075901
+O	 0.1589182588	 0.7717677057	-0.9170667052	-0.411463
+C	-0.8179141839	 0.1127030288	 1.3161434072	-0.303033
+C	-1.5417967194	-0.9486360581	 1.9462110518	 0.311008
+C	-2.1587088035	-1.8432408112	 2.4638231607	-0.430738
+H	 1.0407132175	 2.5567181238	 0.4736343202	 0.139529
+H	 0.661295745	 4.0197719962	 1.4200389224	 0.120787
+H	 0.7355505585	 2.4438031584	 2.2184564972	 0.104386
+H	-1.3157025508	 3.3698584362	 0.1358527002	 0.102395
+H	-1.628704851	 2.8932363994	 2.8810413733	 0.278395
+H	-2.6248260959	 1.3072033505	 0.8639019723	 0.114077
+H	-1.6641705911	-0.2515207198	-0.7181145966	 0.105864
+H	 0.681623164	-0.0151486305	-1.1050900485	 0.294007
+H	 0.1856611945	 0.2907123169	 1.6911731255	 0.114935
+H	-2.7010430727	-2.6307433774	 2.9247794476	 0.19375
+19
+0 1289	3.6668344	1.2082339	1.053827	1.9222	73.77	-0.23055	0.0714	0.30195	1174.0328	0.156138	-422.489837	-422.481626	-422.480682	-422.5226	31.784
+C	 4.4204678383	-1.3579909849	-0.0972264967	-0.407236
+C	 3.7400995542	-0.3024802714	-0.9694349709	 0.123771
+O	 3.5651081956	-0.7722890265	-2.3071222166	-0.435912
+C	 2.408045397	 0.169627978	-0.3914278808	-0.021086
+C	 2.5128151413	 1.1374639877	 0.790573065	-0.129268
+C	 1.2881268398	 2.060495846	 0.6341409303	 0.074302
+O	 0.5218904335	 1.5974506253	-0.4756421016	-0.296199
+C	 1.7963613372	 1.3818375898	-1.1475226665	 0.060171
+C	 2.523232461	 2.3529016276	-0.1388762769	-0.147399
+H	 4.6544130772	-0.9640519279	 0.8967818857	 0.119041
+H	 3.7683740495	-2.2305404794	 0.0354121314	 0.107763
+H	 5.3495396323	-1.6933640598	-0.5659286039	 0.124501
+H	 4.4074638595	 0.5621461337	-1.0706612485	 0.087543
+H	 3.0131596382	-1.5615781675	-2.2686705727	 0.276737
+H	 1.7200219189	-0.6808035378	-0.2800398739	 0.061344
+H	 3.0268981064	 1.0118793009	 1.7353826437	 0.091446
+H	 0.7899884499	 2.5722682421	 1.4468148284	 0.110963
+H	 1.7447654092	 1.4265040064	-2.2319734961	 0.098978
+H	 3.1674714811	 3.2154629976	-0.2320350692	 0.100541
+19
+0 1290	4.1757369	1.0654416	0.9794247	2.4732	74.67	-0.23254	0.06827	0.30081	1243.0062	0.155565	-422.465854	-422.457556	-422.456612	-422.498876	31.796
+C	-2.8751166866	 0.4847319289	-3.6079650455	-0.40456
+C	-1.3837211247	 0.8120888206	-3.5216545004	 0.116472
+O	-0.7399011207	 0.6424967039	-4.7846115902	-0.432316
+C	-0.6711665472	 0.0046911731	-2.4423457225	-0.046363
+C	 0.7691684625	 0.4080882263	-2.0554268534	-0.101111
+C	 0.2791374712	 1.533221255	-1.0858433301	 0.088449
+O	 1.0649038754	 1.068376599	 0.0505970046	-0.3293
+C	 0.6011624647	-0.147059036	-0.6072718766	 0.081557
+C	-0.8107348427	 0.4184589988	-0.9562458936	-0.111412
+H	-3.3877097229	 0.7122289475	-2.6676133494	 0.119435
+H	-3.3446260858	 1.0613279897	-4.4093880358	 0.125649
+H	-3.0259332313	-0.5815996822	-3.8193594949	 0.106015
+H	-1.2664167169	 1.881175897	-3.3041823653	 0.085559
+H	-0.8384286356	-0.2818628844	-5.039464715	 0.275295
+H	-0.8071129105	-1.0710806736	-2.6249714593	 0.057196
+H	 1.6777598524	 0.4128459586	-2.6554424044	 0.090141
+H	 0.1785716173	 2.6064086214	-1.2405318001	 0.099934
+H	 0.8815809972	-1.1139799081	-0.1902957339	 0.095895
+H	-1.684876356	 0.4317655246	-0.3050446841	 0.083464
+19
+0 1291	3.8823784	1.027536	0.9505115	2.6577	74.45	-0.23629	0.0547	0.29098999999999997	1285.1801	0.155257	-422.476913	-422.468369	-422.467425	-422.510042	32.844
+C	 1.5690159199	 3.6215470078	-1.04512088	-0.379102
+C	 1.0945779838	 4.1319280648	 0.3107163131	 0.104808
+O	 1.4059383093	 5.5216993016	 0.3545856062	-0.439684
+C	 1.754705035	 3.3996779602	 1.4638773448	-0.034396
+C	 1.0923751329	 2.1476947379	 1.9728640239	-0.117595
+C	 1.9125446164	 1.4822861562	 3.1259648537	 0.007192
+O	 3.1016505058	 2.2463697266	 3.3727972786	-0.237034
+C	 1.8559901164	 2.7077919774	 3.9144445052	 0.004779
+C	 1.0356768001	 3.4289438928	 2.795499017	-0.134541
+H	 1.3105415497	 2.5668048445	-1.1735271611	 0.11372
+H	 1.1022846234	 4.1989676064	-1.8476510934	 0.122656
+H	 2.6543863192	 3.7302998708	-1.1313929599	 0.124595
+H	 0.0014895708	 3.9902012826	 0.3804741619	 0.056281
+H	 1.2649918007	 5.8206972189	 1.2589624582	 0.280336
+H	 2.838086261	 3.4508876502	 1.4668098134	 0.117743
+H	 0.2781653971	 1.6548247857	 1.4576658973	 0.094588
+H	 1.9201257921	 0.4363510751	 3.4069035897	 0.111402
+H	 1.8070527368	 2.8844391481	 4.9819730077	 0.1111
+H	 0.1688119597	 4.0474759223	 2.9928201238	 0.093153
+19
+0 1292	3.8760813	0.9544667	0.8267914	4.6269	76.21	-0.2743	0.00367	0.27797	1409.0886	0.155515	-422.558673	-422.549719	-422.548775	-422.592526	33.06
+C	-1.0267911545	 4.2364765113	 1.1615515951	-0.390523
+C	-1.6728682427	 2.9312634679	 1.6517875361	-0.008989
+C	-1.8293575872	 2.9248087615	 3.1793658055	-0.385425
+C	-0.8630635667	 1.7335257486	 1.1820608647	-0.022992
+C	-1.1214116489	 1.1481147619	-0.1560229932	 0.067246
+O	-0.1283596071	 0.125010885	-0.441032283	-0.266551
+C	-0.6237114484	-0.6541554642	 0.6053171078	 0.46895
+O	-0.3004050785	-1.758895193	 0.8934611775	-0.32544
+C	-1.6133261456	 0.388120676	 1.0497041708	-0.300343
+H	-0.0224066454	 4.3565387482	 1.5832241718	 0.121682
+H	-0.935557525	 4.2543958862	 0.0713072209	 0.11852
+H	-1.6215678913	 5.1027285386	 1.4673888157	 0.118492
+H	-2.6746602286	 2.8569133596	 1.2050207603	 0.076485
+H	-2.3130019445	 2.0082185301	 3.5300111139	 0.120538
+H	-0.8519386523	 2.9952195654	 3.6699891091	 0.120982
+H	-2.4314047088	 3.7757855118	 3.5126563577	 0.117098
+H	 0.1651468496	 1.7008686253	 1.5383735738	 0.111307
+H	-1.651578156	 1.5755461629	-0.995381551	 0.13167
+H	-2.6031933481	 0.225316487	 1.4499656466	 0.127292
+19
+0 1293	3.7058761	0.9552803	0.8172614	2.7536	77.25	-0.24382	-0.01179	0.23203000000000001	1402.3626	0.155377	-422.550975	-422.54193	-422.540986	-422.584896	33.699
+C	-2.1368259374	 0.188649002	-3.9376045833	-0.37992
+C	-2.6803108291	 0.3739554387	-2.5260837612	 0.099357
+O	-3.6616357662	 1.4026198088	-2.6016458984	-0.434238
+C	-1.5962076411	 0.7493961894	-1.5299601184	-0.026872
+C	-1.8129438695	 0.4607677092	-0.0835863483	-0.086962
+C	-0.6708871363	 1.0725911441	 0.7437160855	-0.374967
+C	 0.2972487119	 0.1533688783	-0.0562339821	 0.413145
+O	 1.4526068989	-0.1288763869	 0.0819625475	-0.312514
+C	-0.8139847186	-0.4005898065	-0.8983681237	-0.186226
+H	-1.406549024	-0.6243261903	-3.9694782917	 0.120629
+H	-2.953725831	-0.043408646	-4.6255973276	 0.127396
+H	-1.6525259875	 1.1083103315	-4.2799870439	 0.126462
+H	-3.1442154423	-0.5707608893	-2.1928869965	 0.063917
+H	-3.9716202086	 1.5820661491	-1.7078793223	 0.282005
+H	-1.0597681907	 1.6582258691	-1.8001452918	 0.099323
+H	-2.760021118	 0.1202379491	 0.3163432228	 0.102985
+H	-0.5293286863	 2.1548686659	 0.6719226747	 0.122645
+H	-0.6706425935	 0.7781303592	 1.7971824118	 0.134601
+H	-0.8993066708	-1.4100566455	-1.282428753	 0.109233
+19
+0 1294	2.6996633	1.1583467	1.1084944	3.0447	75.57	-0.2582	-0.0122	0.246	1225.1458	0.15466	-422.503323	-422.494312	-422.493368	-422.537346	33.248
+C	-1.6533289055	-3.5742775237	 1.6362682183	-0.38824
+C	-0.7705572928	-2.3675953756	 1.9880520799	-0.026041
+C	-0.5207024187	-2.2794900591	 3.5009741333	-0.388244
+C	-1.3989044753	-1.0775645915	 1.4739585185	 0.042086
+C	-1.4173488989	-0.7080719573	-0.0370401836	-0.098639
+O	-1.6065668622	 0.7128715259	 0.3567996506	-0.303262
+C	-0.5867356652	 0.2414206639	 1.3302957124	-0.098642
+C	 0.0981351062	-0.3702812254	 0.0734087688	 0.454316
+O	 1.124710932	-0.4185482181	-0.5166802227	-0.311715
+H	-2.6397154071	-3.4885088121	 2.1069022883	 0.117736
+H	-1.8050608473	-3.6616413622	 0.5556256745	 0.117921
+H	-1.1979747272	-4.5059793232	 1.9859342283	 0.119117
+H	 0.2007012692	-2.5019421933	 1.4914027774	 0.091407
+H	-0.05193068	-3.1957358177	 3.8730412276	 0.119116
+H	 0.1371941895	-1.4415800798	 3.7530133091	 0.117922
+H	-1.4618261965	-2.1418141936	 4.0460857348	 0.117736
+H	-2.3761560689	-0.865208631	 1.9201558677	 0.093131
+H	-2.0271965332	-1.0898009105	-0.8530886551	 0.112147
+H	-0.2439244182	 0.9487037443	 2.0824903719	 0.112147
+19
+0 1295	2.715796	1.190838	1.1285259	2.3203	75.84	-0.24673	0.00804	0.25477	1194.7451	0.155947	-422.530308	-422.521487	-422.520543	-422.563995	33.043
+C	 0.0708560698	 1.226383185	-0.9877990974	-0.383649
+C	-0.4215481379	 0.0007582676	-0.2273116842	 0.065662
+O	 0.1256799031	-1.1365103566	-0.8921106611	-0.431669
+C	 0.0205416526	 0.0195460174	 1.2315263466	 0.027665
+C	-0.6976153101	 0.9419996944	 2.2836406036	-0.18823
+C	-0.0964010122	-0.016178746	 3.3685362971	-0.242508
+C	-0.5942375008	-1.0041089763	 2.2593639188	-0.202618
+C	-1.8351884357	-0.093682226	 2.2227852977	 0.446374
+O	-3.0242257328	-0.1578824395	 2.1885756916	-0.330194
+H	-0.3395792197	 2.1438070412	-0.5564862611	 0.11829
+H	 1.1637432564	 1.2812190705	-0.9541033211	 0.122774
+H	-0.2352471278	 1.1652919544	-2.0351253531	 0.128401
+H	-1.5222965436	-0.0283521265	-0.2739650891	 0.084999
+H	-0.2344107576	-1.9267603932	-0.4770068598	 0.284184
+H	 1.1121971702	 0.0685619402	 1.3022333518	 0.084933
+H	-0.7422779017	 2.0285893357	 2.3044051113	 0.095825
+H	 0.9897128797	 0.040705378	 3.466848787	 0.113039
+H	-0.5940466718	-0.0555309285	 4.3388181186	 0.116964
+H	-0.5207260399	-2.0902208517	 2.2575303828	 0.089759
+19
+0 1296	3.4448375	1.2101366	1.0940746	1.6368	74.95	-0.23386	0.00146	0.23532	1170.8259	0.156255	-422.513938	-422.505537	-422.504593	-422.546921	32.364
+C	 2.3411900691	 1.3370164056	 2.78045926	-0.411652
+C	 1.8344115678	 1.3603824427	 1.337106085	 0.094601
+O	 2.8163697374	 1.9095715646	 0.454415476	-0.446815
+C	 1.5545823676	-0.0368293242	 0.8044660291	 0.049094
+C	 0.7500800358	-0.1048375422	-0.5376267932	 0.005896
+O	-0.4652143294	 0.1653199431	 0.2432750075	-0.290308
+C	 0.1979302505	-0.7006511767	 1.2224222877	-0.007073
+C	 0.2689469806	-2.0365248389	 0.4597781337	-0.084954
+C	 0.646642913	-1.6245732033	-0.7523783027	-0.082547
+H	 3.2648653507	 0.7538895869	 2.8535193475	 0.122813
+H	 2.5508292376	 2.3532502756	 3.1337573746	 0.106007
+H	 1.5975791585	 0.902316235	 3.456587419	 0.117378
+H	 0.9053455617	 1.9438018838	 1.2820904007	 0.083785
+H	 3.0138724232	 2.8033303256	 0.7515482957	 0.280833
+H	 2.4493580339	-0.6620079308	 0.8660966193	 0.075666
+H	 0.9186499258	 0.5719134073	-1.3725694704	 0.088062
+H	-0.2247699997	-0.6607613977	 2.2260723719	 0.077101
+H	 0.065953032	-3.0236071768	 0.8474430145	 0.110403
+H	 0.849907374	-2.1730985096	-1.6599308759	 0.111711
+19
+0 1297	2.5660318	1.3774185	0.9766465	2.7587	75.68	-0.24306	-0.02945	0.21361	1227.2573	0.154781	-422.533123	-422.52405	-422.523106	-422.566994	33.415
+C	 2.3893254818	 1.0136343894	 2.4996105236	-0.397746
+C	 1.0719936411	 1.7078589332	 2.1225166109	 0.016338
+C	 0.582166444	 2.6193363261	 3.2571296657	-0.397292
+C	-0.0069556272	 0.6765582632	 1.7559958075	-0.152785
+C	 0.195894557	-0.1667493072	 0.4795959336	 0.018117
+O	-0.9826789765	-0.9440805669	 0.3251526667	-0.232596
+C	-0.9950358852	 0.3974784372	-0.2083789283	-0.114413
+C	-1.2244896139	 1.3053869177	 0.9942872038	 0.416059
+O	-1.9139227335	 2.262380762	 1.19140948	-0.305666
+H	 2.2517840223	 0.3663419749	 3.3734456885	 0.119156
+H	 2.7798705801	 0.3959720981	 1.6846240579	 0.111078
+H	 3.155843528	 1.7535956566	 2.75178399	 0.118466
+H	 1.2578582168	 2.334454129	 1.2381180336	 0.076335
+H	 0.4143294003	 2.039410892	 4.1725129959	 0.112471
+H	 1.3285280905	 3.3876280705	 3.4828109979	 0.110199
+H	-0.3556698263	 3.1119027073	 2.9913149648	 0.148629
+H	-0.2679460043	 0.0616558934	 2.6234565042	 0.10661
+H	 1.1117108484	-0.5273460813	 0.0280925258	 0.124185
+H	-1.2376704435	 0.521328745	-1.2570422921	 0.122855
+19
+0 1298	2.6736169	1.3941771	0.9939842	3.9615	76.37	-0.24878	-0.01868	0.2301	1204.0075	0.156216	-422.553785	-422.545069	-422.544125	-422.587085	32.97
+C	 3.0607122397	-0.9426956668	-2.9853595873	-0.394275
+C	 1.9695280991	-0.6905859032	-1.9525919472	 0.127298
+O	 0.7225568723	-0.8971118081	-2.5892464138	-0.445228
+C	 2.079877391	-1.6228278953	-0.7336608191	-0.146807
+C	 3.1371328924	-1.3030357465	 0.3412755558	-0.057278
+C	 2.9627936256	-2.2197109072	 1.4918803909	-0.29306
+C	 2.028178871	-1.017177048	 1.4073168315	-0.158791
+C	 1.0261868133	-1.2149867396	 0.3262934556	 0.417862
+O	-0.1286773867	-0.8898179447	 0.195971328	-0.352904
+H	 4.0547099694	-0.7741310145	-2.5599121372	 0.108985
+H	 3.0043424549	-1.9725059533	-3.3515474912	 0.123773
+H	 2.9279475074	-0.2701053774	-3.8371276169	 0.128518
+H	 2.0532861212	 0.3515096554	-1.5947647846	 0.06321
+H	 0.0402042673	-0.8105564976	-1.9074958672	 0.295711
+H	 2.0609435621	-2.6643451987	-1.0719126311	 0.096038
+H	 4.0239311594	-0.7032478023	 0.1852204945	 0.113861
+H	 2.5737021746	-3.2225627918	 1.3394091076	 0.12754
+H	 3.6882956299	-2.141183115	 2.2951050762	 0.131016
+H	 1.9825402461	-0.2824823256	 2.2012980155	 0.114531
+19
+0 1299	3.211546	1.2203261	0.9720117	1.1287	75.66	-0.24435	0.0011	0.24545	1225.6989	0.156273	-422.546202	-422.537604	-422.53666	-422.579478	32.711
+C	 0.8004503875	 4.1423724896	 1.7587368243	-0.412053
+C	 1.9968235644	 3.2963103655	 2.1953408405	 0.130126
+O	 1.5666162035	 2.0350916222	 2.7018566316	-0.430428
+C	 2.9018120448	 4.0098576144	 3.2238198974	-0.096445
+C	 4.0638216353	 3.1430935999	 3.6787045511	-0.077496
+C	 5.2511567897	 3.6921207515	 3.4094712049	-0.096879
+C	 5.0672699055	 5.0396054085	 2.795372139	 0.000317
+O	 4.3701644992	 5.9697717893	 3.6597553253	-0.262934
+C	 3.6134610856	 5.2544301353	 2.6840488339	 0.022698
+H	 0.1885850298	 4.4239230259	 2.6252610157	 0.109968
+H	 1.1078087007	 5.065210093	 1.2578071418	 0.122873
+H	 0.1747837997	 3.5701201243	 1.0686747813	 0.12809
+H	 2.6037990095	 3.0426602506	 1.3177285344	 0.094186
+H	 0.9578148092	 2.2056539625	 3.4296669305	 0.276751
+H	 2.2737793803	 4.2909311775	 4.0834643738	 0.086507
+H	 3.8997935875	 2.1935092791	 4.1720680176	 0.111192
+H	 6.2195506733	 3.2604386879	 3.6292832483	 0.102828
+H	 5.80166659	 5.4911208405	 2.1354588705	 0.096703
+H	 3.1608798944	 5.8667362927	 1.9085738984	 0.093994
+19
+0 1300	2.5564673	1.4428082	1.1454774	3.4082	76.12	-0.24962	-0.03126	0.21836	1129.7515	0.156228	-422.594187	-422.585362	-422.584418	-422.627731	33.257
+C	-1.0429894369	-3.2445765171	 1.2125814571	-0.408848
+C	-0.7254131287	-1.7504664858	 1.3264959558	 0.130753
+O	 0.6055092223	-1.5251290288	 1.7507843803	-0.440951
+C	-0.9964012014	-0.9571776694	 0.017223022	-0.171181
+C	-2.3917622903	-0.9997262801	-0.5482030069	-0.081671
+C	-2.4233718132	-1.3770859658	-1.8282211349	-0.083398
+C	-1.0511759412	-1.6660609336	-2.3776096404	-0.364407
+C	-0.1498407776	-1.4819974786	-1.1519458822	 0.397873
+O	 1.0285642065	-1.7486182842	-1.0927378926	-0.332196
+H	-0.8434002078	-3.7320659869	 2.1700610609	 0.127799
+H	-2.0915182561	-3.4113157259	 0.9455617272	 0.113673
+H	-0.4146889763	-3.7243115903	 0.4543969674	 0.121189
+H	-1.3626522217	-1.3168108918	 2.1075790821	 0.08423
+H	 1.174254023	-1.713416152	 0.9896636759	 0.293068
+H	-0.6778541659	 0.0737755892	 0.2304663616	 0.119079
+H	-3.2620556905	-0.7348170933	 0.0420466873	 0.10555
+H	-3.3205877975	-1.4615247607	-2.4300958636	 0.106438
+H	-0.9301990527	-2.6738969773	-2.7931938488	 0.14101
+H	-0.744763664	-0.9712944377	-3.1717965281	 0.14199
+19
+0 1301	2.993787	1.1867774	1.0729269	4.6377	77.53	-0.26738	-0.04354	0.22384	1213.8821	0.156488	-422.613602	-422.604713	-422.603769	-422.647334	32.831
+C	-1.7710836144	-1.3227935164	 3.0429781594	-0.399383
+C	-2.1013061768	-1.0901613053	 1.5634119221	 0.015041
+C	-2.1005267999	-2.4058136559	 0.7734035668	-0.394862
+C	-1.1517525858	-0.0701360368	 0.9012805603	 0.06839
+O	 0.207536418	-0.5228234403	 0.9601781917	-0.237645
+C	 1.0082192243	 0.4358507454	 1.5374824618	 0.424574
+O	 2.1870072824	 0.2861367645	 1.6886263757	-0.345538
+C	 0.136225914	 1.5837531171	 1.8894784626	-0.231957
+C	-1.1120861271	 1.2958662181	 1.527904551	-0.089054
+H	-2.4814056694	-2.0289773112	 3.4828312649	 0.117023
+H	-0.7673560226	-1.7433538639	 3.1543414747	 0.140255
+H	-1.8154915766	-0.3964388034	 3.6230470012	 0.115373
+H	-3.1040750955	-0.6448191848	 1.4924859973	 0.078272
+H	-2.8050493098	-3.1192121421	 1.2112580533	 0.114809
+H	-2.388653205	-2.24610323	-0.2710405819	 0.111594
+H	-1.1052025017	-2.8595480627	 0.782752311	 0.142244
+H	-1.4235684882	 0.0128040552	-0.1617797836	 0.10673
+H	 0.5238772518	 2.4750703436	 2.3600821775	 0.135375
+H	-1.9952154975	 1.912536169	 1.6384232641	 0.12876
+19
+0 1302	3.4597393	1.029803	0.8430646	4.4289	78.77	-0.2363	-0.0459	0.1904	1358.3881	0.156139	-422.596928	-422.587807	-422.586863	-422.631367	33.662
+C	-4.7129040428	-0.8277642111	-0.9219955329	-0.413442
+C	-3.5375914561	 0.0894606939	-1.2585740649	 0.129589
+O	-3.9938532208	 1.3302587937	-1.7850810404	-0.423349
+C	-2.5807177186	 0.3285802541	-0.0650241456	-0.068421
+C	-1.3927486745	 1.2468930232	-0.4229650758	-0.353199
+C	-0.1261627244	 0.4266553701	-0.1384185282	 0.380942
+O	 1.0139915394	 0.7940615416	-0.2993592387	-0.329152
+C	-0.5766317735	-0.8888278385	 0.3793588372	-0.188745
+C	-1.912074157	-0.9346358796	 0.4343134523	-0.058018
+H	-5.2902808193	-0.4290161507	-0.0779736021	 0.108759
+H	-5.3797550712	-0.9039731203	-1.7846595965	 0.132037
+H	-4.3827169556	-1.8360286718	-0.6549610399	 0.121172
+H	-2.9546939908	-0.3541402298	-2.0754365402	 0.096817
+H	-4.5623922423	 1.74135468	-1.123897906	 0.277984
+H	-3.1875658332	 0.7608179094	 0.7456759251	 0.077063
+H	-1.414142054	 1.5592468896	-1.4701927023	 0.147782
+H	-1.3676563289	 2.1636523627	 0.1730821818	 0.129119
+H	 0.1166440581	-1.668011607	 0.6697557008	 0.116778
+H	-2.4881191247	-1.7816350395	 0.7917704964	 0.116283
+19
+0 1303	3.0133739	0.9532468	0.9182962	1.1465	77.72	-0.24876	0.02027	0.26903	1377.5229	0.154133	-422.506433	-422.496578	-422.495634	-422.541904	35.741
+C	-2.3518907777	-1.4046092104	 3.3860554109	-0.415327
+C	-1.9913968406	 0.0750678786	 3.3074545015	 0.118885
+O	-2.6814608601	 0.8629832654	 4.2731300041	-0.431833
+C	-0.4880889939	 0.3038612049	 3.4474207538	 0.137461
+C	 0.0426352405	 1.6987588359	 3.0702898786	-0.319144
+C	 0.8389047806	 0.9470975199	 1.9681717098	-0.038819
+O	 0.2648040569	-0.3232720238	 2.3795153861	-0.298367
+C	 0.5552378368	 1.2883946679	 0.5844653378	 0.338837
+C	 0.3208132844	 1.585659037	-0.5565004004	-0.456469
+H	-2.0759124859	-1.8200082877	 4.3643194725	 0.102815
+H	-3.4265225591	-1.5463340847	 3.2438923418	 0.123501
+H	-1.8124573595	-1.9669780056	 2.6190540644	 0.144161
+H	-2.3037513741	 0.4752866462	 2.3356055325	 0.097183
+H	-2.5518710435	 0.4508782119	 5.1346767626	 0.279194
+H	-0.1511188493	-0.0629821517	 4.4293610792	 0.062569
+H	-0.715878761	 2.3877008648	 2.6992219671	 0.132049
+H	 0.6586116868	 2.1985258649	 3.8176799518	 0.114108
+H	 1.9238274787	 0.9438778053	 2.1328650645	 0.105933
+H	 0.11515146	 1.8430367811	-1.5662528184	 0.203262
+19
+0 1304	2.9520569	0.9813256	0.9362952	1.5662	79.23	-0.24101	0.03148	0.27249	1351.6038	0.152956	-422.510394	-422.500016	-422.499071	-422.54561	38.217
+C	 0.7199505218	-1.3344278051	-2.2180864126	-0.407262
+C	-0.7934609573	-1.4619110336	-2.0464519838	 0.120458
+O	-1.1580962215	-2.7225212927	-1.4873579922	-0.432013
+C	-1.3643371649	-0.3210307348	-1.2209401355	-0.06643
+C	-2.8147216139	 0.0635120955	-1.3434406888	-0.353736
+C	-1.7346473442	 0.9912131073	-1.8806952666	 0.193823
+O	-1.5300990564	 1.0270959301	-3.2708293934	-0.451513
+C	-1.4724900992	 2.2309986264	-1.1954482612	 0.298643
+C	-1.2724935425	 3.2827731918	-0.6465377633	-0.464236
+H	 1.2238073199	-1.311531317	-1.2431415024	 0.101393
+H	 1.1086728291	-2.1853591706	-2.78403994	 0.121142
+H	 0.96982316	-0.4112471435	-2.7488925934	 0.137118
+H	-1.2656458958	-1.448165655	-3.0320699917	 0.101982
+H	-0.7098759286	-2.80693698	-0.6384548627	 0.274225
+H	-0.919870648	-0.2205938742	-0.233030279	 0.091838
+H	-3.3977237188	-0.4588786257	-2.0946813227	 0.126159
+H	-3.3604105545	 0.3674644066	-0.4578948422	 0.121943
+H	-2.1499075109	 1.6652170285	-3.6416468394	 0.289531
+H	-1.0837263245	 4.2068052159	-0.1585935891	 0.196938
+19
+0 1305	2.4379868	1.2188859	0.9572267	0.8337	77.88	-0.26042	0.02101	0.28142999999999996	1292.2003	0.152483	-422.507279	-422.4969	-422.495956	-422.542765	37.759
+C	 1.2939274983	-6.5822428084	 3.3981059895	-0.409836
+C	 1.6883335858	-5.8593241454	 2.1128624655	 0.078557
+O	 1.0280620988	-6.4139539149	 0.9758796309	-0.426883
+C	 1.4408524016	-4.350051878	 2.1518694696	-0.02961
+O	 0.7517104977	-3.7777993906	 3.2660461244	-0.276923
+C	 2.1211793244	-3.3815519363	 3.0434060456	 0.199193
+C	 2.3036606787	-1.9426995972	 2.5995832249	-0.470784
+C	 3.0878136982	-3.8372406654	 4.017268659	 0.294789
+C	 3.9354661148	-4.1497589046	 4.8109700195	-0.423623
+H	 1.864174337	-6.2153404685	 4.253207464	 0.140313
+H	 0.2323298408	-6.4246641626	 3.6165752451	 0.118106
+H	 1.4775947941	-7.6531190231	 3.2785009262	 0.118742
+H	 2.7540952578	-6.0208417748	 1.9109412044	 0.104918
+H	 0.0844148652	-6.4387999172	 1.1708539256	 0.279968
+H	 1.1242551222	-3.9627283391	 1.1812117597	 0.097478
+H	 2.219091553	-1.2692374541	 3.457419505	 0.138541
+H	 3.2914588763	-1.800722927	 2.1513994995	 0.134338
+H	 1.5371169406	-1.6767902961	 1.868040073	 0.131393
+H	 4.6736988146	-4.4407618267	 5.5172274986	 0.201321
+19
+0 1306	4.862502	0.6963447	0.6448473	1.5981	78.54	-0.26109	0.04529	0.30638	1731.6571	0.15314	-422.505823	-422.495519	-422.494574	-422.541739	36.771
+C	 6.010563186	 3.7726479336	-0.0773191296	-0.385647
+C	 5.2561775055	 2.8486807726	 0.8685304976	 0.086711
+O	 6.227078507	 2.1741775515	 1.662875083	-0.426633
+C	 4.4157802988	 1.838280469	 0.1117723654	 0.033178
+O	 3.1885154226	 2.316786107	-0.4489401941	-0.248215
+C	 3.1176439168	 1.3661562979	 0.6132880257	 0.053409
+C	 2.574090204	-0.008836667	 0.2603197169	-0.384665
+C	 1.11587574	-0.05439206	 0.2527107287	 0.301946
+C	-0.0852206575	-0.0734090588	 0.2653924266	-0.438848
+H	 6.6011761138	 4.4952267145	 0.4915108971	 0.125029
+H	 6.6917906903	 3.1942804513	-0.7095903945	 0.123253
+H	 5.3068541891	 4.311710162	-0.7169390686	 0.133778
+H	 4.5797813613	 3.4494228892	 1.4972678122	 0.073899
+H	 5.7604796618	 1.6212882748	 2.2983326113	 0.282452
+H	 4.9868582569	 1.175561389	-0.5425611207	 0.094223
+H	 2.7442830215	 1.7781183188	 1.5525800156	 0.100371
+H	 2.9661213705	-0.2982927516	-0.7215514655	 0.142371
+H	 2.9605251377	-0.7390350603	 0.9844284625	 0.133772
+H	-1.1467880263	-0.0942942535	 0.2639442002	 0.199615
+19
+0 1307	2.5635938	1.3949956	1.0878465	2.7947	77.13	-0.24206	-0.04773	0.19433	1167.1772	0.156623	-422.600667	-422.59169	-422.590746	-422.634681	33.217
+C	-1.3854916785	 0.1654046239	-4.5024768531	-0.389759
+C	-0.7814978996	 0.9059035426	-3.316595792	 0.114868
+O	 0.6286501374	 0.9632738719	-3.5240984688	-0.444205
+C	-1.1008072461	 0.2531063756	-1.9624301148	-0.117129
+C	-0.5813566504	-1.1816731309	-1.7414915006	-0.28554
+C	-0.0032575357	-1.1522178294	-0.3491421366	-0.047799
+C	 0.0483365319	 0.0791934757	 0.1743735247	-0.178261
+C	-0.4818214598	 1.0554839898	-0.8000304135	 0.367365
+O	-0.4117394785	 2.2652283486	-0.7471820975	-0.357026
+H	-0.9837076626	-0.8499030647	-4.5776069405	 0.122056
+H	-2.4736814377	 0.100920679	-4.4067280739	 0.111909
+H	-1.1467819421	 0.6904431027	-5.4309580343	 0.125772
+H	-1.1908168853	 1.9253495683	-3.2803641684	 0.089111
+H	 0.9732510473	 1.6441220334	-2.9357387732	 0.294188
+H	-2.1886879609	 0.2809779121	-1.8123039129	 0.10238
+H	-1.3522842062	-1.9517989821	-1.849390841	 0.114193
+H	 0.2112122112	-1.4189327911	-2.4629538432	 0.143075
+H	 0.3566039903	-2.0521299829	 0.1391541192	 0.117417
+H	 0.4601591153	 0.3700406475	 1.1320307704	 0.117384
+19
+0 1308	2.5141158	1.1537506	0.8659502	2.7539	77.82	-0.25149	0.01951	0.271	1347.1611	0.154036	-422.502718	-422.492756	-422.491812	-422.538252	35.692
+C	 2.647902152	 1.0310686025	 3.0731112745	-0.412465
+C	 2.0329914886	 1.0213699446	 1.6735597409	 0.107833
+O	 3.025783457	 1.1561467383	 0.6601505512	-0.440112
+C	 1.3130020415	-0.2803760446	 1.3645807193	-0.026451
+C	 0.4913180867	-0.3455626227	 0.0640511557	-0.091244
+O	-0.7197989781	-0.6675124485	 0.7877932144	-0.286565
+C	-0.0553099941	-0.5192906309	 2.0658705029	-0.058814
+C	-0.1789092904	-1.6783397965	 2.9331339212	 0.314226
+C	-0.2659932474	-2.6330684977	 3.6584386324	-0.436628
+H	 3.387098796	 0.229734681	 3.1679816922	 0.129961
+H	 3.1478708446	 1.9859331701	 3.2715475754	 0.108216
+H	 1.8833886596	 0.8916934518	 3.8445103821	 0.127076
+H	 1.3035089707	 1.8466881293	 1.5952151738	 0.06668
+H	 3.5180199985	 1.9660788322	 0.82803165	 0.28375
+H	 2.0002510494	-1.1203112735	 1.4835884041	 0.097894
+H	 0.4083057116	 0.6077359889	-0.4718043946	 0.106201
+H	 0.7633635367	-1.1338384941	-0.6449924861	 0.112383
+H	-0.4288599681	 0.3724775678	 2.5911855379	 0.096886
+H	-0.3500691349	-3.4780628681	 4.2963924028	 0.201171
+19
+0 1309	2.5177362	1.1699249	0.8787311	0.6828	77.99	-0.24954	0.04012	0.28966000000000003	1344.0728	0.154109	-422.50696	-422.496999	-422.496055	-422.542318	35.788
+C	-4.0658223447	 0.0884327594	-1.2583734605	-0.415279
+C	-3.417093643	-1.2728636769	-1.4916821905	 0.109004
+O	-4.3660165272	-2.3269994922	-1.6008941608	-0.426998
+C	-2.4007754099	-1.6074471286	-0.4050006479	 0.130919
+O	-1.2704987224	-0.7106359589	-0.4033051798	-0.293517
+C	-0.3347205255	-1.8047410089	-0.4647630718	-0.079501
+C	-1.4813085619	-2.8389841283	-0.6473607878	-0.249843
+C	-1.5538870882	-3.9455442963	 0.2807092279	 0.321263
+C	-1.6111622626	-4.8497329378	 1.0713138821	-0.458136
+H	-4.6203730402	 0.0959364033	-0.3112555655	 0.10658
+H	-3.3025860787	 0.8700876634	-1.2070997913	 0.142052
+H	-4.7632475419	 0.32274632	-2.0668857241	 0.12469
+H	-2.8906105351	-1.2638383833	-2.4537835749	 0.091552
+H	-4.9053277263	-2.3256974492	-0.8019069942	 0.282453
+H	-2.892825352	-1.6311198871	 0.5796438122	 0.072857
+H	 0.3637724757	-1.7043142515	-1.3021257477	 0.111753
+H	 0.2243088301	-1.9221573512	 0.4702402442	 0.112939
+H	-1.5639372566	-3.1965085713	-1.6773672894	 0.118624
+H	-1.6624108296	-5.6555346348	 1.7608889001	 0.198589
+19
+0 1310	4.2896702	0.6190166	0.5549278	2.3	84.21	-0.25959	-0.05184	0.20775	1977.8514	0.152917	-422.550844	-422.539821	-422.538877	-422.589307	37.515
+C	 2.713608407	-2.1854099059	-0.7336203724	-0.384899
+C	 1.8186048876	-2.2922984972	 0.4926119632	 0.141839
+O	 0.7838134887	-3.206902624	 0.179910727	-0.43006
+C	 1.2338202053	-0.9138971169	 0.890430772	-0.358452
+C	 0.3196077693	-1.0125506798	 2.0185401912	-0.039424
+C	-0.4372242243	-1.1410116429	 2.9524731521	 0.123914
+C	-1.3435113534	-1.2491987835	 4.0826485438	 0.24734
+C	-1.9647239715	-2.6151406979	 4.294675873	-0.480214
+O	-1.5777727112	-0.3003562887	 4.7998641196	-0.274288
+H	 3.1055086015	-3.1710912682	-0.9959920902	 0.130503
+H	 2.1445915375	-1.8058304713	-1.5882094655	 0.12623
+H	 3.5563957007	-1.5138595784	-0.5451747871	 0.115831
+H	 2.4119645155	-2.6615884146	 1.344892348	 0.077196
+H	 0.1856813376	-3.2380113846	 0.9358202442	 0.284042
+H	 2.0460717437	-0.2158240421	 1.1277785533	 0.138576
+H	 0.695255629	-0.5001135742	 0.0279452571	 0.14602
+H	-2.6205221913	-2.5873914106	 5.1659847277	 0.14569
+H	-2.5346206732	-2.9112572553	 3.4070902693	 0.145641
+H	-1.1814781882	-3.3672766339	 4.4396378837	 0.144515
+19
+0 1311	4.8551107	0.5822029	0.5442874	1.6776	82.77	-0.24587	0.02296	0.26883	2004.4088	0.154254	-422.502302	-422.492016	-422.491072	-422.539554	35.821
+C	-3.1034049477	-3.3312665715	 1.1338211203	-0.403449
+C	-3.1756382114	-2.4912937172	 2.4055615345	 0.138966
+O	-4.3526154505	-2.7601188628	 3.1546326817	-0.422245
+C	-3.0734234293	-0.9701105195	 2.1258144529	-0.371554
+C	-1.8060137422	-0.5656203768	 1.5342156099	 0.076113
+C	-0.7450856732	-0.2684503517	 1.04516685	 0.106458
+C	 0.5320650527	 0.0895344868	 0.491535533	-0.117462
+C	 0.6508826224	 0.8952889223	-0.7403445538	-0.159255
+O	 0.902913505	-0.5028281226	-0.7668894351	-0.216465
+H	-3.1714460504	-4.3944463509	 1.3787331321	 0.126147
+H	-3.9318767075	-3.0803178206	 0.4579423124	 0.104096
+H	-2.1691611764	-3.1502472659	 0.595679232	 0.1433
+H	-2.3497065701	-2.7662646919	 3.0706884955	 0.102563
+H	-5.1044709886	-2.6972741578	 2.5550340053	 0.277886
+H	-3.904223857	-0.6752969763	 1.4685369463	 0.116935
+H	-3.2282456189	-0.4468803287	 3.0764519294	 0.140091
+H	 1.3542057484	 0.1420245725	 1.2047151274	 0.11622
+H	-0.2571681664	 1.2199848359	-1.2447903738	 0.122942
+H	 1.5213911011	 1.5370158268	-0.8722143502	 0.118712
+19
+0 1312	4.4744552	0.5515241	0.5134261	2.9562	82.74	-0.2537	-0.03292	0.22077999999999998	2230.2144	0.152947	-422.542899	-422.531978	-422.531034	-422.581887	36.971
+C	 2.6383661245	-1.9603186557	-0.9239450246	-0.38433
+C	 1.9674404122	-2.1715124873	 0.4258468368	 0.147585
+O	 1.2511553488	-3.3911355709	 0.3524067843	-0.432258
+C	 1.0227761833	-0.9981919051	 0.78392445	-0.352654
+C	 0.3242834629	-1.2302296741	 2.0434825746	 0.002173
+C	-0.2180152253	-1.4745628811	 3.092325449	 0.101522
+C	-0.9321561525	-1.7568934507	 4.3297165533	-0.415401
+C	-2.3278309101	-2.3341301094	 4.0784332748	 0.169786
+O	-2.8173357041	-3.2040087598	 4.7449819876	-0.227615
+H	 3.2903133594	-2.8067700568	-1.1536520904	 0.128382
+H	 1.8860003302	-1.8852481698	-1.7155457272	 0.123981
+H	 3.2405053272	-1.0468237655	-0.9225553823	 0.112435
+H	 2.7399358794	-2.2285593146	 1.2103876386	 0.073203
+H	 0.7681396018	-3.4907030156	 1.1815579546	 0.284021
+H	 1.5994416601	-0.0662990378	 0.837670898	 0.12734
+H	 0.2931429521	-0.8794346227	-0.0272181576	 0.134391
+H	-0.38840167	-2.4491726645	 4.9807145299	 0.154728
+H	-1.0742712729	-0.8269804541	 4.9020067383	 0.157293
+H	-2.8668567371	-1.8684244446	 3.2250799626	 0.095416
+19
+0 1313	2.386273	1.0283634	0.8586997	1.6951	77.72	-0.25771	0.01123	0.26894	1441.5336	0.152844	-422.563548	-422.552888	-422.551944	-422.601107	37.118
+C	 4.8723974023	-3.7117803388	-0.0095870669	-0.393298
+C	 4.9308986786	-2.21910085	-0.2959215437	 0.145138
+C	 5.3328831505	-1.8880233848	-1.7287111904	-0.396594
+O	 3.5898924368	-1.7105824633	-0.0393134091	-0.240654
+C	 3.4795430374	-0.4230163225	 0.305028194	 0.448634
+O	 4.3986494344	 0.3463499165	 0.4299620855	-0.364635
+C	 2.0253002717	-0.0376183494	 0.5912347299	-0.463945
+C	 1.0281378573	-0.6448987026	-0.2770079563	 0.322469
+C	 0.1888464611	-1.1208106995	-0.9918469924	-0.453634
+H	 4.5588946334	-3.8989733201	 1.020856657	 0.124856
+H	 4.1646426247	-4.2076524628	-0.6808912241	 0.129396
+H	 5.8597029739	-4.1592151144	-0.1570953939	 0.121289
+H	 5.6068262065	-1.715723303	 0.4009276673	 0.11073
+H	 4.6268920833	-2.3309502443	-2.4380835852	 0.125684
+H	 5.3596205769	-0.8069148583	-1.8807287243	 0.142054
+H	 6.3298404973	-2.2880936155	-1.9379720458	 0.119707
+H	 1.8292162764	-0.3154926529	 1.6361378565	 0.160794
+H	 1.9783693151	 1.0539783255	 0.5463955267	 0.162302
+H	-0.5461053176	-1.5494704197	-1.6269399949	 0.199706
+19
+0 1314	2.0265283	1.2807066	0.938249	3.0792	77.89	-0.24932	-0.02905	0.22027000000000002	1315.9237	0.152845	-422.544624	-422.534122	-422.533178	-422.580596	37.478
+C	 2.4103837884	-2.5745446198	 3.9614072213	-0.37762
+C	 2.099695146	-2.0014893306	 2.5823590998	 0.112002
+O	 1.1744222989	-2.879475737	 1.9637435338	-0.434379
+C	 3.3888691445	-1.8630729135	 1.7424308982	-0.292834
+C	 3.1932738326	-1.3602262157	 0.3221630459	 0.360708
+O	 3.650753477	-1.9244729211	-0.6380473991	-0.279658
+C	 2.4007069192	-0.0370375771	 0.1313478667	-0.418472
+C	 0.9638073639	-0.2733274118	 0.0786272991	 0.297171
+C	-0.2173340068	-0.5008755486	 0.034575375	-0.451123
+H	 2.8442846472	-3.5746194006	 3.8640379623	 0.128833
+H	 3.1163785606	-1.9391388715	 4.5044820857	 0.109634
+H	 1.4905629139	-2.6579242011	 4.5455123598	 0.125224
+H	 1.6492297935	-1.0047750204	 2.7095445997	 0.074719
+H	 0.7388915053	-2.3982500272	 1.2490584954	 0.289448
+H	 4.0631743527	-1.1551738734	 2.2466093593	 0.114275
+H	 3.8964403418	-2.8290505055	 1.6764288154	 0.128712
+H	 2.6332614863	 0.6633304042	 0.9425367101	 0.140162
+H	 2.7417639129	 0.4006323513	-0.8116747047	 0.16005
+H	-1.265305138	-0.6682127105	-0.0184084737	 0.213149
+19
+0 1315	2.2197394	1.098848	0.7883495	2.701	79.65	-0.25002	-0.03571	0.21431000000000003	1466.9682	0.1514	-422.518958	-422.50805	-422.507106	-422.556231	37.671
+C	-4.1529454823	-2.3451666089	-0.7316108055	-0.392281
+C	-2.7043121547	-1.9804492504	-0.4310319428	 0.149506
+C	-1.7184762464	-3.0300942392	-0.9455439385	-0.391477
+O	-2.4900098513	-0.696865521	-1.0342238969	-0.259479
+C	-1.3734615235	 0.0372354743	-0.5713592547	-0.14318
+C	-1.8000807867	 1.5155931575	-0.658213962	 0.162203
+O	-1.5342804479	 2.3419648913	 0.1681742443	-0.235751
+C	-0.1651089645	-0.1455394526	-1.3807108609	 0.332514
+C	 0.8161140922	-0.2258343131	-2.0710950269	-0.464818
+H	-4.4098069786	-3.3009407839	-0.2658671964	 0.117696
+H	-4.8302233536	-1.5764716756	-0.3509424371	 0.123977
+H	-4.3057193402	-2.4350071531	-1.8116127733	 0.127661
+H	-2.5781463112	-1.8718419224	 0.6586525835	 0.074961
+H	-1.9239348237	-3.9980679662	-0.4772080648	 0.114573
+H	-1.8145274678	-3.1405739046	-2.0301269989	 0.126403
+H	-0.6843958365	-2.7570178921	-0.722114437	 0.128349
+H	-1.1569380367	-0.1795762273	 0.4844356945	 0.117386
+H	-2.3970188161	 1.7327117864	-1.5685092585	 0.103218
+H	 1.6879127894	-0.316455379	-2.6715467881	 0.208538
+19
+0 1316	2.0468136	1.0361324	0.8122744	3.7525	79.05	-0.24929	-0.02795	0.22134	1477.5793	0.15234	-422.53798	-422.52709	-422.526146	-422.575173	37.829
+C	 1.7155907944	-1.2189090584	-2.0458979463	-0.403583
+C	 0.3033148887	-0.7309271596	-2.3698808311	 0.117164
+O	 0.0464013574	-0.7786028832	-3.7717343127	-0.431592
+C	 0.0942204321	 0.7235965097	-1.9500250781	-0.19222
+C	-1.3469666709	 1.2303339634	-2.2379787775	-0.229637
+C	-1.4028654393	 2.7265408336	-1.9141622574	 0.149332
+O	-1.1927945798	 3.5897636131	-2.7222885342	-0.243449
+C	-2.3547847764	 0.5111457102	-1.4684727577	 0.316133
+C	-3.1887911064	-0.0404086727	-0.8003781126	-0.475877
+H	 1.9108861889	-1.178774606	-0.9692490261	 0.117999
+H	 1.8472899963	-2.2578882351	-2.3681966281	 0.108115
+H	 2.4614850024	-0.6060463259	-2.5615967243	 0.127625
+H	-0.4275670228	-1.3542929516	-1.831775455	 0.083562
+H	 0.081287823	-1.6978018499	-4.0530456536	 0.285563
+H	 0.317888687	 0.8288680997	-0.8831229478	 0.106786
+H	 0.7919027742	 1.3571435851	-2.5084686997	 0.125408
+H	-1.5271716499	 1.1165367686	-3.3111077398	 0.147115
+H	-1.6245294809	 2.9584151928	-0.8488570831	 0.089568
+H	-3.933135898	-0.5371724638	-0.2283624848	 0.201988
+19
+0 1317	2.4352862	1.1652255	0.9433569	2.9055	78.03	-0.25324	0.01445	0.26769000000000004	1317.7183	0.153517	-422.505956	-422.496041	-422.495097	-422.540891	36.551
+C	 3.1043368177	-2.1662563401	-3.9511459976	-0.385723
+C	 3.3464195588	-1.6624482561	-2.5336114665	 0.158258
+O	 3.5118501384	-2.8053053462	-1.7082252781	-0.450799
+C	 2.1839893829	-0.7865197603	-2.0293901547	-0.308821
+C	 2.5150818791	-0.0748072332	-0.7255252473	 0.165634
+C	 1.6225523452	-0.191427155	 0.4470328678	-0.213184
+O	 2.8228128732	-0.9582144194	 0.3886944754	-0.271399
+C	 3.3819826193	 1.0759725398	-0.8314929735	 0.341863
+C	 4.0959453266	 2.0344839598	-0.957590896	-0.439009
+H	 2.1648737448	-2.7262741289	-4.0041386075	 0.117818
+H	 3.0601633689	-1.3350929111	-4.6615026966	 0.108391
+H	 3.9149038203	-2.8369008391	-4.2481794221	 0.126565
+H	 4.2647196728	-1.0502525072	-2.5278476852	 0.074114
+H	 3.4622240949	-2.5129303431	-0.7897777306	 0.295721
+H	 1.9264381039	-0.0312879295	-2.7793615752	 0.11197
+H	 1.3101085375	-1.430378181	-1.8827053529	 0.108698
+H	 1.6183068498	 0.5979652946	 1.1954547439	 0.129712
+H	 0.6962596693	-0.7547493166	 0.3453012761	 0.125191
+H	 4.7316058166	 2.8798215527	-1.0571558393	 0.205
+19
+0 1318	5.7400756	0.7081838	0.6606458	2.8224	80.7	-0.25672	0.01055	0.26727	1691.4738	0.153792	-422.504713	-422.494767	-422.493823	-422.539846	36.183
+C	 4.7070062978	-1.6289222819	-4.1206506802	-0.384086
+C	 4.3102725489	-0.9631858123	-2.8086311913	 0.15925
+O	 5.0622657867	-1.5876573775	-1.7805176168	-0.446511
+C	 2.7987399853	-1.084333337	-2.5309953348	-0.257848
+C	 2.3684274672	-0.2337618907	-1.3589474868	 0.056549
+O	 2.9896997948	-0.5174955187	-0.0937477747	-0.246944
+C	 1.5765794517	-0.771119617	-0.2313144357	-0.165065
+C	 0.6883365662	 0.0533823219	 0.541091131	 0.313506
+C	-0.0730957237	 0.7236456083	 1.1853563176	-0.403276
+H	 4.4113278987	-2.6830757179	-4.1189217257	 0.119707
+H	 4.23512744	-1.1316879708	-4.9736044371	 0.107354
+H	 5.7919594244	-1.5817842832	-4.2458024976	 0.127577
+H	 4.5650040985	 0.1105924653	-2.8683331769	 0.062968
+H	 4.6734838597	-1.333968424	-0.9341127114	 0.296789
+H	 2.2275526688	-0.7713342587	-3.4130916939	 0.106204
+H	 2.5725055579	-2.1397882941	-2.3418552581	 0.108942
+H	 2.2779751607	 0.8354531014	-1.5518205093	 0.112642
+H	 1.3230123791	-1.8300475839	-0.2611226002	 0.125518
+H	-0.7416105428	 1.3200104809	 1.7562765018	 0.206726
+19
+0 1319	5.8826307	0.4941314	0.4698919	4.1246	85.89	-0.26654	-0.06081	0.20573	2290.6747	0.152527	-422.519161	-422.508171	-422.507227	-422.557234	36.611
+C	-4.8079246847	 1.5469664029	-2.3506624225	-0.391654
+C	-4.4962967045	 0.8358398593	-1.0396268485	 0.169651
+C	-5.1724076842	 1.5069514462	 0.1587923442	-0.397854
+O	-3.0711612637	 0.8379425566	-0.9195435029	-0.256721
+C	-2.5628804118	-0.075140949	 0.026025336	-0.223898
+C	-1.1119904338	-0.1337914065	-0.0672601677	 0.057992
+C	 0.0923075225	-0.2081354835	-0.111617718	 0.083307
+C	 1.5276156775	-0.2613554385	-0.2025439998	 0.020475
+O	 2.2317472636	-0.9809483514	 0.4682597935	-0.230207
+H	-4.3054654672	 1.0493268892	-3.1837860631	 0.125805
+H	-5.8851803032	 1.5488895779	-2.5401737015	 0.116135
+H	-4.4612130707	 2.5842616933	-2.3108131362	 0.127696
+H	-4.8395833731	-0.2109133004	-1.1057699031	 0.068323
+H	-4.9673491515	 0.9819504332	 1.096461056	 0.117657
+H	-4.8242461023	 2.5398348904	 0.2590114863	 0.128393
+H	-6.2582196404	 1.519213216	 0.0221878649	 0.120776
+H	-2.8340490588	 0.2024597229	 1.0579128923	 0.132798
+H	-2.9734897257	-1.086704982	-0.1418498864	 0.128601
+H	 1.955239792	 0.4288735135	-0.9579642336	 0.102725
+19
+0 1320	4.8582117	0.4925156	0.4645147	4.9329	85.19	-0.25943	-0.05373	0.2057	2295.5335	0.15325	-422.538484	-422.527483	-422.526539	-422.576928	36.914
+C	-5.2286812643	-2.7228744068	-0.6757959506	-0.408782
+C	-4.6334061524	-1.3455688153	-0.3867415146	 0.12878
+O	-4.9736674641	-0.4068493865	-1.4056390766	-0.43419
+C	-3.1074188435	-1.379446396	-0.3248677028	-0.161808
+C	-2.5058458089	 0.0088130929	-0.0287718896	-0.372978
+C	-1.0531980285	 0.0072920374	 0.020694399	 0.076837
+C	 0.1546349231	-0.0306017003	 0.0511041616	 0.048967
+C	 1.591499061	-0.0245640609	 0.1045843073	 0.021574
+O	 2.2979966174	-0.9593587882	-0.1997715301	-0.234038
+H	-4.9619363636	-3.4404791486	 0.106751773	 0.120598
+H	-6.3226477874	-2.6716971125	-0.7196281954	 0.107463
+H	-4.8662695097	-3.1016081105	-1.6365511774	 0.129635
+H	-5.0140904122	-0.9907845571	 0.5872490666	 0.065209
+H	-5.932836226	-0.3623045336	-1.4665835083	 0.285008
+H	-2.792106777	-2.0909615067	 0.4448734695	 0.111962
+H	-2.7194236689	-1.7430685343	-1.2825745315	 0.122168
+H	-2.8447050965	 0.7135388127	-0.7964187608	 0.165036
+H	-2.8959454162	 0.3912183746	 0.9245336674	 0.134157
+H	 2.0266893577	 0.9330618499	 0.4581642133	 0.094402
+19
+0 1321	3.6997237	0.7678403	0.6709999	2.1112	80.44	-0.27761	-0.03981	0.2378	1690.2874	0.153336	-422.552889	-422.542344	-422.5414	-422.589523	36.727
+C	 3.2453402591	-2.2534474724	-0.6210535022	-0.394931
+C	 1.7365162766	-2.4444893359	-0.417049344	 0.009474
+C	 1.4363911169	-3.6427335284	 0.4922323508	-0.384942
+C	 1.1321792296	-1.1570392862	 0.132426429	-0.054289
+O	-0.3027962748	-1.3183994864	 0.183736158	-0.237333
+C	-0.9872365662	-0.2808212327	 0.6897384181	 0.298246
+O	-0.4945464641	 0.7453671702	 1.0882900998	-0.354214
+C	-2.4090651459	-0.5554664584	 0.6954660014	 0.221643
+C	-3.5973198769	-0.7300673226	 0.7249172405	-0.3595
+H	 3.7488359916	-2.0459727207	 0.330451238	 0.118834
+H	 3.6946672392	-3.1578662706	-1.0416616901	 0.119246
+H	 3.4604727562	-1.4235432688	-1.3021917556	 0.116703
+H	 1.2737187977	-2.6272276147	-1.3959169406	 0.088129
+H	 1.8973073637	-3.508537885	 1.4783741629	 0.112461
+H	 0.3606908105	-3.7693235492	 0.6363282749	 0.130957
+H	 1.8355196533	-4.5663265648	 0.0617401745	 0.113669
+H	 1.4992532508	-0.9355580675	 1.1409880194	 0.122679
+H	 1.3640861658	-0.295159966	-0.5016997479	 0.121222
+H	-4.6486110732	-0.8842132899	 0.7508215031	 0.211947
+19
+0 1322	2.4956182	1.0398925	0.922759	2.344	78.34	-0.24801	-0.06149	0.18652000000000002	1372.938	0.152263	-422.523308	-422.51265	-422.511706	-422.560118	37.223
+C	 2.982423	-0.5213404551	-4.6096110023	-0.388983
+C	 3.4138664208	-0.8970603494	-3.1974785886	 0.14915
+C	 2.6667542748	-2.1226447642	-2.6677096603	-0.407224
+O	 3.1974352386	 0.2725941964	-2.3991665172	-0.245494
+C	 3.7655946252	 0.2506320634	-1.1176035437	-0.182208
+C	 2.8356849667	-0.2388024233	-0.0009785635	 0.208243
+O	 3.2693089564	-0.7595410693	 1.0032227764	-0.281082
+C	 1.4169853446	 0.0140044153	-0.1851936754	 0.309708
+C	 0.2393715592	 0.2365181275	-0.2974853261	-0.450795
+H	 3.1757389519	-1.3455837488	-5.3021920291	 0.115085
+H	 1.91211817	-0.2937819559	-4.6313511824	 0.125599
+H	 3.5278860002	 0.361075867	-4.9535357244	 0.123664
+H	 4.4950861705	-1.1144287918	-3.1962869225	 0.07221
+H	 3.0052010482	-2.4059392967	-1.6663991421	 0.12879
+H	 1.5910052979	-1.9286775286	-2.6266042399	 0.130267
+H	 2.8419519058	-2.9799740178	-3.3255284433	 0.117763
+H	 4.6863884314	-0.3459711503	-1.064822205	 0.12098
+H	 4.0286995709	 1.2872897465	-0.861971355	 0.13694
+H	-0.8010771331	 0.4312791749	-0.3955166156	 0.217386
+19
+0 1323	2.9977415	0.7648924	0.6538403	3.2252	79.5	-0.25852	-0.05677	0.20175000000000004	1705.922	0.153006	-422.539508	-422.528799	-422.527855	-422.576717	37.405
+C	 3.2727106052	 4.2729755724	-2.4571309473	-0.40566
+C	 3.669653267	 3.4194062417	-1.2525992007	 0.138829
+O	 5.0796947288	 3.2231329559	-1.1977766839	-0.425163
+C	 2.9128442914	 2.0831958009	-1.2200478016	-0.203763
+C	 3.2852081495	 1.2260769337	 0.0039520409	-0.293813
+C	 2.5736317533	-0.1121661327	-0.0130170547	 0.245398
+O	 3.1283025678	-1.158391079	-0.2712230217	-0.278934
+C	 1.1457426586	-0.0717318846	 0.2797258282	 0.28057
+C	-0.0315107663	-0.0304594134	 0.5290174373	-0.463827
+H	 3.4799266135	 3.7418533182	-3.3947522983	 0.109539
+H	 2.2048003403	 4.5131809766	-2.4405622049	 0.118595
+H	 3.8401651604	 5.2073073844	-2.4609889315	 0.127788
+H	 3.4406187167	 3.9719492996	-0.3322023699	 0.09117
+H	 5.3485268102	 2.7978373029	-2.0202906099	 0.279021
+H	 1.8339859622	 2.2779337072	-1.2285897674	 0.111765
+H	 3.1387360108	 1.5232655998	-2.1385801518	 0.101422
+H	 4.360455271	 1.0383191459	 0.013215848	 0.134872
+H	 3.0140602124	 1.7660395013	 0.9196110522	 0.115666
+H	-1.0719041228	-0.0127184707	 0.7467016571	 0.216524
+19
+0 1324	2.0195473	1.4053198	1.0008699	1.233	76.7	-0.24621	-0.09356	0.15265	1250.9219	0.154262	-422.562956	-422.553117	-422.552173	-422.598343	34.59
+C	-1.7195490648	 2.3961581944	-1.4595360662	-0.399141
+C	-1.0439144443	 2.0210910722	-0.1365701566	-0.115628
+C	-2.0659076138	 1.7396120384	 0.9653228086	 0.026925
+C	-1.709207759	 1.8829011504	 2.4255075664	-0.280553
+C	-2.6336100625	 2.8791235346	 1.7747065218	-0.278147
+C	-0.1844102401	 0.7795325756	-0.2872953221	 0.295816
+O	-0.4129825428	-0.1335886798	-1.0478149006	-0.290076
+C	 1.0623035724	 0.6520070309	 0.604488812	 0.095627
+O	 1.4636686064	 1.517560539	 1.3375833905	-0.222095
+H	-2.3196063205	 1.5623424066	-1.8331003312	 0.136136
+H	-2.3726823165	 3.2610592822	-1.3164821609	 0.119824
+H	-0.9805821825	 2.6444115427	-2.2272864228	 0.118338
+H	-0.3922435018	 2.8303839506	 0.2115139487	 0.100866
+H	-2.7551397928	 0.9371893403	 0.7139157626	 0.096304
+H	-2.1302118238	 1.1705762192	 3.1262938623	 0.115386
+H	-0.7031593899	 2.207610369	 2.6653983418	 0.137701
+H	-3.6880433916	 2.8516632271	 2.0259754516	 0.11644
+H	-2.2484393368	 3.8751696926	 1.5819095499	 0.116675
+H	 1.5753304447	-0.3243615459	 0.4741272642	 0.109601
+19
+0 1325	2.0505438	1.415645	1.2179041	2.9425	75.49	-0.24812	-0.03624	0.21188	1152.1798	0.153252	-422.559156	-422.549083	-422.548139	-422.595334	35.143
+C	 3.5042276684	 0.6371369472	 0.078816531	-0.423134
+C	 4.6018115077	-0.0225651862	-0.7815270323	 0.037886
+C	 4.6858524136	 0.7156782824	-2.1137596108	 0.151601
+O	 4.454963826	 0.2390008492	-3.1945928963	-0.254446
+C	 4.2844798173	-1.4996322628	-1.0179421267	 0.126294
+O	 3.7815094625	-2.2084612603	-0.1820323843	-0.265535
+C	 5.9654364429	 0.134625066	-0.088961603	-0.008319
+C	 6.3573072225	-0.707939179	 1.0967218731	-0.276215
+C	 7.0831673598	-0.8725319332	-0.2155020147	-0.289102
+H	 3.4195334434	 0.1003744888	 1.0252493849	 0.152419
+H	 3.754023716	 1.6821535661	 0.2872173077	 0.118411
+H	 2.5321512248	 0.6061504797	-0.4222471973	 0.131559
+H	 4.9840647469	 1.7855367221	-2.0100084463	 0.08141
+H	 4.5642619246	-1.8899831143	-2.0149497732	 0.117262
+H	 6.2763372016	 1.1767047265	-0.0480749903	 0.092054
+H	 6.8714706179	-0.2195522053	 1.9167376238	 0.11716
+H	 5.6786120931	-1.4990367992	 1.3951023658	 0.144824
+H	 8.0962765918	-0.4967609696	-0.3030828826	 0.119168
+H	 6.9048018192	-1.783437718	-0.7767108886	 0.126701
+19
+0 1326	2.4098363	1.2224322	0.9088328	0.8848	78.35	-0.25077	-0.04866	0.20210999999999998	1323.4	0.15415	-422.57297	-422.563031	-422.562087	-422.608931	34.554
+C	 0.9600999478	 2.0553080259	 1.0237263913	-0.41023
+C	 0.6780834221	 0.6175374558	 0.5926285367	-0.17183
+C	 1.395887307	-0.3920109478	 1.4823724611	 0.151183
+O	 1.7430323364	-1.4901862272	 1.131470935	-0.245097
+C	-0.8368126762	 0.2984586856	 0.6088369587	 0.358713
+O	-1.6319602728	 1.089978766	 1.0665549797	-0.325772
+C	-1.2397117928	-1.0053243236	 0.0221219774	-0.096456
+C	-2.5411950587	-1.0318698114	-0.7739652149	-0.256022
+C	-2.4991997648	-1.6609775578	 0.5733068118	-0.251765
+H	 0.6091444216	 2.228947957	 2.0444142207	 0.138836
+H	 2.0313787516	 2.2729708988	 0.9793028429	 0.117646
+H	 0.4333586143	 2.7601883058	 0.3774341327	 0.137483
+H	 1.0245454511	 0.4179630598	-0.4287762921	 0.12002
+H	 1.5688679675	-0.0375579373	 2.5235915235	 0.091846
+H	-0.4349974574	-1.6537053521	-0.3000523965	 0.116173
+H	-3.0538615405	-0.0813776705	-0.867039276	 0.138004
+H	-2.5628287377	-1.6653373354	-1.6530593928	 0.12327
+H	-2.9838393472	-1.1335984081	 1.3866976211	 0.139108
+H	-2.4902699314	-2.7418134235	 0.6506699697	 0.12489
+19
+0 1327	2.047553	1.3551623	1.2129834	2.3427	77.38	-0.26211	-0.03971	0.22240000000000001	1174.2516	0.152219	-422.541734	-422.531238	-422.530294	-422.576817	38.198
+C	-1.6610805217	 2.8656905361	-1.7987416747	-0.405789
+C	-1.1653324424	 2.0025938304	-0.6175928077	 0.014004
+C	-2.3745739827	 1.5560583364	 0.2358797999	-0.422953
+C	-0.2307458073	 2.7755529526	 0.2063001644	 0.360842
+C	 0.5337974217	 3.3951851606	 0.8968140778	-0.494665
+C	-0.4166297012	 0.7538793798	-1.2064439287	 0.047546
+O	 0.5377528294	 1.1226762827	-2.1569185046	-0.434275
+C	 0.2456604287	-0.0813273719	-0.122084859	 0.140207
+O	 1.42751531	-0.3244180417	-0.15635323	-0.26307
+H	-2.3774867284	 2.2989105115	-2.4031921501	 0.111162
+H	-2.1584678267	 3.7640424502	-1.4233859873	 0.120965
+H	-0.8254062323	 3.1598290866	-2.4335818934	 0.152352
+H	-2.0736976667	 1.0071543131	 1.1313660703	 0.125341
+H	-2.9388847573	 2.4330375148	 0.5633866402	 0.134345
+H	-3.0442662647	 0.9227415945	-0.3555651821	 0.117981
+H	 1.2131736396	 3.9450695912	 1.5002403571	 0.200512
+H	-1.1914510202	 0.1194269174	-1.6741842789	 0.093343
+H	 1.3871948027	 0.8050947372	-1.8098268639	 0.297775
+H	-0.3998497106	-0.4670337413	 0.6889331207	 0.104376
+19
+0 1328	2.5157131	1.1783778	1.0250468	3.2396	78.09	-0.24463	-0.02299	0.22163999999999998	1246.3002	0.151369	-422.54042	-422.529382	-422.528437	-422.577053	39.083
+C	 2.7976694926	 2.5507913675	 0.2701448346	-0.424941
+C	 3.1943798289	 1.3399179252	-0.5909560663	-0.056197
+C	 4.69952696	 1.3719073764	-0.8122351633	 0.141922
+O	 5.2237622184	 1.5165510559	-1.8875464508	-0.257435
+C	 2.7684174696	-0.0127904856	 0.0534947259	 0.130601
+C	 3.1811034344	-1.2033578147	-0.8327269646	-0.422711
+O	 3.4483626218	-0.072196424	 1.3127480639	-0.450744
+C	 1.3118256097	-0.0439991243	 0.2594540408	 0.319641
+C	 0.1244778615	-0.1130803741	 0.436747942	-0.461243
+H	 3.2878895869	 2.510065947	 1.2459916368	 0.139943
+H	 3.0812314125	 3.4828194383	-0.2269407417	 0.125015
+H	 1.7171078755	 2.5615973835	 0.4327293202	 0.13716
+H	 2.7236194286	 1.4048770615	-1.576058807	 0.100466
+H	 5.3015805285	 1.2797338288	 0.1168487463	 0.097153
+H	 2.8702070792	-2.1434939652	-0.3675496624	 0.117638
+H	 2.710448118	-1.1400395939	-1.8175371483	 0.135907
+H	 4.2665029972	-1.2179267788	-0.9606935413	 0.137761
+H	 3.1114221446	-0.8346143521	 1.7951781702	 0.287482
+H	-0.9249383078	-0.1641291113	 0.5947539748	 0.202582
+19
+0 1329	1.9031851	1.454341	1.4225035	3.8869	76.47	-0.2486	-0.02102	0.22757999999999998	1111.5232	0.153634	-422.568365	-422.558584	-422.55764	-422.603216	34.76
+C	 1.765462219	 0.4315694285	-0.0335693251	-0.424702
+C	 0.4804901079	-0.3445505644	-0.3667864521	-0.184864
+C	-0.6865394677	 0.5986483712	-0.6478025077	 0.176326
+O	-1.8409445972	 0.3562044959	-0.413962643	-0.255102
+C	 0.1067003993	-1.4015704456	 0.6571967853	 0.299256
+C	-0.6563312127	-2.6413301004	 0.2107986271	-0.296673
+C	 0.7742612933	-2.7759179159	 0.6016126161	-0.329128
+C	-0.2310358775	-0.9230164928	 2.021307266	 0.126555
+O	-0.2086616521	 0.2285995238	 2.3815654937	-0.279292
+H	 1.6612999154	 0.9642898398	 0.91281329	 0.159903
+H	 2.6163819516	-0.2511466061	 0.0421559307	 0.120094
+H	 1.9909467977	 1.1596247152	-0.819698333	 0.117365
+H	 0.6440718678	-0.8546470572	-1.3305289858	 0.100194
+H	-0.3873166343	 1.5515750968	-1.1428744831	 0.076983
+H	-1.4167666677	-3.030812547	 0.8789036904	 0.130847
+H	-0.9234681858	-2.6834599887	-0.8384119752	 0.133264
+H	 1.0113456803	-3.2599812197	 1.5432260229	 0.12764
+H	 1.5214712502	-2.9149345002	-0.1717393767	 0.128214
+H	-0.5166802777	-1.7386867032	 2.7265375893	 0.073118
+19
+0 1330	2.869607	1.2843291	1.06344	2.8683	76.14	-0.24121	-0.02396	0.21725	1178.9286	0.154729	-422.504985	-422.495996	-422.495052	-422.540208	32.585
+C	 0.8609572746	 3.4808964321	-0.6049603973	-0.417029
+C	 0.8273423126	 3.1215404071	 0.891198832	-0.213927
+C	 1.6731350178	 4.1116407595	 1.6806419158	 0.160354
+O	 1.2514805447	 4.823013037	 2.5552504546	-0.251917
+C	 1.3409162268	 1.7211240711	 1.1314695582	 0.4296
+C	 1.611607785	 0.9751081386	 2.468103528	-0.266723
+C	 2.2116300517	 0.1635682068	 1.3002368019	 0.052267
+C	 0.9155090333	 0.3734211903	 0.4838861778	-0.271719
+O	 2.7478387368	 1.4212694245	 0.7283817634	-0.349033
+H	 0.2305209462	 2.7938374693	-1.1761430817	 0.129408
+H	 0.4943670155	 4.4977311013	-0.7706967208	 0.12874
+H	 1.8795911985	 3.4063122394	-0.9960709701	 0.145276
+H	-0.1936511737	 3.1857900116	 1.2834053199	 0.102292
+H	 2.7423764964	 4.1371738889	 1.3759008757	 0.096559
+H	 2.3393409264	 1.4492321856	 3.1277367687	 0.114717
+H	 0.755794865	 0.557702351	 3.004265275	 0.100455
+H	 2.8791696716	-0.6967497846	 1.3250170212	 0.100992
+H	 1.0374958486	 0.3160064688	-0.5981356199	 0.110502
+H	-0.0028704978	-0.1001519083	 0.8399263477	 0.099188
+19
+0 1331	2.5956791	1.4347331	1.1123434	1.6386	75.76	-0.2465	-0.03261	0.21389	1132.511	0.15572	-422.517229	-422.508425	-422.507481	-422.552488	32.246
+O	-0.9912315623	-1.2969967992	 1.5128909992	-0.422737
+C	-1.0812904889	-0.2694021323	 0.5355567324	-0.133457
+C	-2.5454736982	-0.0661716094	 0.1354371812	 0.127967
+O	-2.9245608782	 0.4677301975	-0.8738181589	-0.241056
+C	-0.1644535652	-0.4991470367	-0.6441825322	 0.357779
+C	 0.0973732907	 0.4405674194	-1.8592804762	-0.252714
+C	 0.9934293343	-0.810388613	-2.0900992752	-0.04865
+C	 1.3746455167	-0.7331066427	-0.5838041404	-0.25977
+C	-0.2270742187	-1.6790879771	-1.6710948451	-0.274264
+H	-1.0617676914	-2.1428643141	 1.056193552	 0.287626
+H	-0.7747708385	 0.6520101328	 1.0535990701	 0.120143
+H	-3.2529724816	-0.4726466055	 0.8948851496	 0.086843
+H	-0.7395185285	 0.5908274241	-2.5418676536	 0.114651
+H	 0.6148085832	 1.3788858353	-1.6393889035	 0.089637
+H	 1.6653377305	-0.9948322929	-2.9280976963	 0.076225
+H	 1.7109523394	-1.6588607025	-0.1093755058	 0.091353
+H	 1.9836269563	 0.1204099278	-0.2728013972	 0.091692
+H	-1.0832969172	-1.6894287358	-2.3499721674	 0.105455
+H	 0.0002765678	-2.6806677957	-1.2906176127	 0.083277
+19
+0 1332	2.6658153	1.236389	1.1032175	2.4057	76.09	-0.23199	-0.02104	0.21095	1193.3009	0.154849	-422.523047	-422.513907	-422.512962	-422.557636	32.996
+C	 1.3794632917	-0.5642845653	 5.1308056699	-0.410307
+C	 2.176148033	 0.0856406618	 3.9795616091	-0.180025
+C	 2.9755067406	 1.2631233563	 4.5166590667	 0.157754
+O	 4.1680269616	 1.2563753586	 4.683369031	-0.255576
+C	 1.2484825673	 0.5396630684	 2.8869607718	 0.483153
+C	 0.8216970938	-0.2356032654	 1.6784967722	-0.343648
+C	 1.4220371404	 1.1487031501	 1.5089677621	-0.199911
+C	 0.4081231935	 2.1818041556	 1.9793346926	-0.089278
+O	 0.2271985602	 1.4866843006	 3.2467867619	-0.328851
+H	 0.8145536366	-1.4238364576	 4.7590560139	 0.129829
+H	 2.0525358057	-0.9050297856	 5.9220277305	 0.129717
+H	 0.6677777209	 0.1481291679	 5.5575928731	 0.144679
+H	 2.8927289639	-0.6326801218	 3.568702515	 0.099342
+H	 2.3583570963	 2.1546476855	 4.7661822325	 0.090947
+H	 1.4776820262	-1.0490424207	 1.3842949549	 0.119922
+H	-0.2368318926	-0.4038448915	 1.4971731461	 0.117996
+H	 2.3126333272	 1.3418879842	 0.9267482277	 0.110752
+H	 0.8339593529	 3.1770914936	 2.1470928007	 0.114131
+H	-0.5302548793	 2.2680512953	 1.4194880282	 0.109376
+19
+0 1333	2.613622	1.2920073	1.0446897	2.8704	75.17	-0.23911	-0.03361	0.2055	1197.4689	0.154588	-422.517181	-422.50793	-422.506986	-422.553052	32.983
+C	 2.4194054624	 2.7760588189	 3.3093090584	-0.414482
+C	 2.0450995939	 1.7948192902	 2.1869606065	-0.17182
+C	 1.5055577623	 2.5444950548	 0.9740773671	 0.148642
+O	 1.6297401079	 2.1750032591	-0.1641334316	-0.248851
+C	 1.0350108075	 0.7687379598	 2.6540613544	 0.280119
+C	-0.4793170577	 0.9201634652	 2.6209148796	-0.360821
+C	 0.1730570014	-0.2397728453	 1.9310814802	 0.054284
+O	 0.4595141579	-1.2828589862	 2.8654812698	-0.285144
+C	 1.3670928484	-0.4045488139	 3.5808831317	-0.137698
+H	 2.8239728015	 2.2423465535	 4.1739555745	 0.129003
+H	 3.1761672648	 3.4926098068	 2.974403523	 0.124321
+H	 1.5414344644	 3.3380133577	 3.6451830837	 0.127912
+H	 2.9376385552	 1.258754588	 1.8410822229	 0.102192
+H	 0.9576530415	 3.4861783409	 1.2140371469	 0.076759
+H	-1.0765079806	 0.743715286	 3.5116417627	 0.116857
+H	-0.8552314462	 1.6998368582	 1.9652687055	 0.120862
+H	 0.0654625392	-0.4991636848	 0.8845716473	 0.122961
+H	 1.1102494975	-0.3107606889	 4.6428365426	 0.106461
+H	 2.4016327089	-0.7540905002	 3.4777007648	 0.108442
+19
+0 1334	2.947333	1.1766164	1.0141771	2.4554	75.76	-0.24278	-0.02517	0.21761	1237.4668	0.154642	-422.530935	-422.521695	-422.52075	-422.566022	33.12
+C	-1.8380677946	 3.1063431551	 8.6534698444	-0.412607
+C	-0.9665397593	 2.5016656959	 7.5308773982	-0.197251
+C	-1.6137979484	 1.2171749926	 7.0355299547	 0.154615
+O	-2.1523419981	 1.1000252764	 5.9650002207	-0.253114
+C	 0.4341346271	 2.2508707789	 8.0228029759	 0.428752
+C	 1.5417421339	 3.2875594556	 8.3019954248	-0.299527
+C	 2.5995046787	 2.1637380456	 8.0135854559	-0.236779
+C	 1.435608459	 1.1986771843	 7.7613395228	-0.055098
+O	 0.6400686024	 1.1797922467	 8.9594826348	-0.291633
+H	-1.9284652237	 2.4075432762	 9.4906490727	 0.141026
+H	-1.3875431333	 4.0286669158	 9.031620041	 0.130204
+H	-2.8396364663	 3.3407367794	 8.2831329839	 0.132284
+H	-0.928899302	 3.1917772329	 6.6811511043	 0.100227
+H	-1.5740268691	 0.3775975752	 7.7623443279	 0.09822
+H	 1.5756254177	 4.0926207482	 7.5639021515	 0.110576
+H	 1.5327714671	 3.7117690632	 9.3084409729	 0.112533
+H	 3.1923507118	 2.3673275477	 7.1191559225	 0.111447
+H	 3.260697757	 1.883538486	 8.8363971076	 0.11594
+H	 1.3965759	 0.3154052241	 7.1333643936	 0.110186
+19
+0 1335	2.6838717	1.3092123	1.040762	2.9994	76.08	-0.24156	-0.02435	0.21721	1189.9407	0.155203	-422.534097	-422.524962	-422.524018	-422.568619	33.292
+O	 0.2358974406	-1.1028221039	 1.3352700042	-0.42799
+C	-0.8258427407	-0.4170165669	 0.6938700984	-0.094967
+C	-1.5571798417	-1.4496814859	-0.1554557069	 0.161954
+O	-2.6681223755	-1.2899002168	-0.5877008201	-0.2494
+C	-0.3435249195	 0.6992117661	-0.208308706	 0.371604
+C	 0.8955278772	 0.5832304155	-1.0524687929	-0.315515
+C	 0.828875116	 1.672478064	-0.0148110413	-0.137669
+C	-0.0357792716	 2.8339114882	-0.5216289167	-0.218516
+C	-1.2285211586	 1.8415889916	-0.7253104651	-0.29573
+H	 0.7148594041	-0.4646489432	 1.8738098516	 0.291885
+H	-1.5480812654	-0.0120253678	 1.4202561975	 0.088144
+H	-0.9521264421	-2.3579872243	-0.3714700991	 0.090885
+H	 1.5388578092	-0.2514644616	-0.7950457545	 0.122685
+H	 0.866950087	 0.8299894544	-2.1117310233	 0.10751
+H	 1.554487152	 1.7288782451	 0.7897823047	 0.07915
+H	-0.2482165207	 3.5813484392	 0.2455968815	 0.105767
+H	 0.3388767889	 3.3467996965	-1.4133615557	 0.101471
+H	-2.068482733	 2.0598536993	-0.0617689145	 0.110596
+H	-1.6140240363	 1.7212078706	-1.7415049818	 0.108137
+19
+0 1336	3.0469043	0.9832541	0.8957004	1.9061	79.46	-0.23184	-0.03193	0.19990999999999998	1366.7125	0.155274	-422.565108	-422.555602	-422.554658	-422.600878	32.913
+C	-2.9828560818	 0.8975964645	 1.5035413479	-0.418434
+C	-1.9809004942	 1.5652477308	 0.5369580873	-0.172132
+C	-2.5955544079	 2.8570621503	 0.0047235694	 0.165045
+O	-2.9217940412	 3.0356377028	-1.1383891681	-0.242513
+C	-0.6517834476	 1.8593858641	 1.1813471086	 0.298896
+C	 0.5588875248	 1.593329022	 0.6952677399	-0.221733
+C	 1.6191693035	 2.0592759958	 1.6481776751	-0.102687
+O	 0.909450725	 2.6499250298	 2.7350572286	-0.26381
+C	-0.4918024061	 2.534719273	 2.526282904	-0.156195
+H	-3.253319456	 1.5653872535	 2.3283766979	 0.12889
+H	-3.9009122079	 0.6263312563	 0.9749118984	 0.134823
+H	-2.5502582423	-0.0100734871	 1.9332172484	 0.13464
+H	-1.8248903832	 0.9206954725	-0.3330068948	 0.10204
+H	-2.7422816767	 3.6492715194	 0.7756492445	 0.076401
+H	 0.7794149325	 1.1069459357	-0.2469597071	 0.108626
+H	 2.2494094522	 1.2324331203	 2.0140020392	 0.106567
+H	 2.2948503188	 2.8035501458	 1.1980630579	 0.110101
+H	-0.9462483915	 1.9478665633	 3.3408427995	 0.105394
+H	-0.9533696305	 3.5347891471	 2.5592572035	 0.10608
+19
+0 1337	2.6581766	1.1836927	0.9199244	3.0208	79.08	-0.236	-0.0308	0.2052	1299.0784	0.155966	-422.579494	-422.570244	-422.5693	-422.614093	33.195
+O	-1.1875539673	 3.2022318884	-0.7123521088	-0.4311
+C	-0.2115220506	 2.2107316484	-0.4622552741	-0.049514
+C	 0.9798239349	 2.5443501276	-1.3634112327	 0.155056
+O	 2.1044726019	 2.1707208674	-1.1632243052	-0.244466
+C	-0.6551017317	 0.8158302061	-0.8126483128	 0.279525
+C	-1.7061925319	 0.4853315643	-1.5685520979	-0.180063
+C	-1.8729401674	-1.0106046323	-1.685451274	-0.247139
+C	-0.5263276	-1.5587640335	-1.141879326	-0.208862
+C	 0.0846606029	-0.4040271255	-0.3074682373	-0.309627
+H	-2.0202131417	 2.8890443147	-0.3437421419	 0.287486
+H	 0.1470254956	 2.2348807169	 0.5794580977	 0.092811
+H	 0.688257884	 3.1419876855	-2.2546390897	 0.097335
+H	-2.3863219392	 1.1944702504	-2.026821611	 0.096277
+H	-2.7295754837	-1.3531303716	-1.087223491	 0.106791
+H	-2.0727418432	-1.3342854161	-2.7130461489	 0.107761
+H	-0.6451192127	-2.4790793859	-0.5652244118	 0.100603
+H	 0.1361609622	-1.7875061684	-1.9820753246	 0.112135
+H	-0.0914898269	-0.5325390101	 0.7703702271	 0.104339
+H	 1.1685621846	-0.3115680462	-0.4314954772	 0.13065
+19
+0 1338	2.7929043	1.2789869	1.0399056	2.2665	75.85	-0.24177	-0.02195	0.21982000000000002	1201.1266	0.155058	-422.498861	-422.490155	-422.489211	-422.53281	31.94
+C	 2.089340714	-0.559905829	-1.6504355229	-0.417453
+C	 0.7025364177	 0.0691644016	-1.4206397387	-0.121314
+C	-0.2548952996	-0.3705585109	-2.5108302194	 0.15764
+O	-0.9761853932	 0.3621309947	-3.1399277087	-0.25427
+C	 0.747786233	 1.5818101259	-1.2932982675	 0.049012
+C	-0.4403587671	 2.310629544	-0.6092392215	 0.042277
+C	 0.4790228204	 3.5167508586	-0.3115360082	-0.225035
+C	 1.2181290354	 2.2084941978	 0.0513504673	 0.023205
+O	-0.0261963234	 1.7206528847	 0.6933493777	-0.319293
+H	 2.7444095417	-0.3714036657	-0.7958187357	 0.129978
+H	 2.0161346903	-1.644679051	-1.7805623171	 0.122877
+H	 2.5701587287	-0.1460826842	-2.5434631876	 0.125972
+H	 0.2938461665	-0.337825703	-0.4840600097	 0.121835
+H	-0.2535641983	-1.4699669493	-2.7010637235	 0.075713
+H	 1.1281288667	 2.0610076649	-2.2003979258	 0.078576
+H	-1.4989464126	 2.2831660055	-0.8620398796	 0.107711
+H	 0.8483630057	 4.1059281803	-1.1544538153	 0.099402
+H	 0.1786569046	 4.1243683124	 0.542102955	 0.110407
+H	 2.1511190194	 2.0678891028	 0.5989701312	 0.092761
+19
+0 1339	2.749763	1.2676441	1.0236127	2.7845	76.13	-0.25182	-0.02648	0.22533999999999998	1204.3193	0.156015	-422.51206	-422.503363	-422.502419	-422.546362	31.926
+O	 0.5046442438	 10.0740318502	-3.0248398997	-0.438595
+C	 0.2169433429	 8.8101854442	-2.4408933478	-0.030744
+C	 1.561967109	 8.1188109183	-2.2576398267	 0.154756
+O	 1.68935471	 7.0177182109	-1.7894199282	-0.248486
+C	-0.6997710654	 7.972521537	-3.3295726612	 0.047346
+C	-2.2464728539	 8.2278724627	-3.3778334126	-0.08041
+C	-2.3587083187	 6.8135748	-4.0182025304	-0.221111
+C	-1.3678170788	 6.6552660253	-2.825440092	-0.048106
+C	-2.3668703154	 7.5186850567	-1.9980497006	-0.22567
+H	-0.3312287801	 10.5070200879	-3.2222858001	 0.290107
+H	-0.2085811176	 8.9311338662	-1.4333555295	 0.095234
+H	 2.4275994109	 8.7281550921	-2.5994896385	 0.094355
+H	-0.2361784515	 7.8905696262	-4.319700558	 0.073347
+H	-2.7577247977	 9.1365686922	-3.7040562411	 0.065753
+H	-3.3247486601	 6.312647371	-3.9170115414	 0.093469
+H	-1.9445947173	 6.6925195058	-5.0228175485	 0.093324
+H	-0.8517703576	 5.751567417	-2.5062734472	 0.094672
+H	-3.3341012697	 7.0571377442	-1.7828693419	 0.094575
+H	-1.9883045427	 8.036614652	-1.1155623546	 0.096186
+19
+0 1340	3.1066595	1.0488657	0.8480471	1.0928	76.63	-0.23545	-0.02371	0.21173999999999998	1360.5493	0.154845	-422.516922	-422.507782	-422.506838	-422.551881	32.644
+C	-0.5416972355	-2.8028198529	 2.1679545849	-0.416099
+C	-0.4487537357	-1.5076371009	 2.9887896429	-0.101523
+C	 0.2548455063	-1.754733341	 4.3126002729	 0.174794
+O	 1.1762283061	-1.1068402644	 4.7371064989	-0.253481
+C	-1.8280839719	-0.9305134767	 3.2852000857	-0.053746
+C	-1.8781856486	 0.5242050647	 3.7252729844	-0.144003
+C	-3.3299492446	 0.9262472408	 3.9566959883	-0.099595
+O	-3.7170532783	 0.4286053787	 2.6429465597	-0.290877
+C	-2.3557129338	 0.1200541981	 2.3509480753	 0.089807
+H	-1.06804244	-3.5843770106	 2.7272438551	 0.124576
+H	-1.0947371713	-2.6287399803	 1.2408809674	 0.131887
+H	 0.4513589841	-3.182916674	 1.9100984408	 0.127802
+H	 0.1473152744	-0.7584454689	 2.4548316942	 0.094395
+H	-0.1761087073	-2.5981637851	 4.9043135301	 0.070789
+H	-2.5498624532	-1.629865487	 3.7064797072	 0.092147
+H	-0.9973261184	 1.066482334	 4.0413447104	 0.119689
+H	-3.8760014755	 0.4302633778	 4.7677140372	 0.108724
+H	-3.4831031651	 2.0094520864	 4.0125777754	 0.115332
+H	-1.987080912	 0.3107475813	 1.3489480592	 0.109383
+19
+0 1341	2.9855742	1.1014839	0.867842	3.127	76.27	-0.24819	-0.02617	0.22202	1335.6013	0.15539	-422.531504	-422.522402	-422.521458	-422.566089	32.953
+O	-0.3812138749	 0.4449162566	 2.1867086157	-0.443726
+C	 0.024317383	 0.3066972678	 0.8349817468	 0.011514
+C	-1.0314325478	-0.5595551476	 0.1557864776	 0.157255
+O	-1.2027580553	-0.5937052602	-1.0339378802	-0.245151
+C	 1.3889487075	-0.3418673921	 0.7050562458	-0.042918
+C	 2.5867414101	 0.5806485284	 0.7292688961	-0.076959
+C	 3.8820655961	-0.2407529557	 0.7501057241	-0.24322
+C	 3.4353385427	-0.9414281401	-0.5774879922	-0.239196
+C	 2.1501610883	-0.1042857701	-0.5680725177	-0.044534
+H	 0.3713473106	 0.7792162703	 2.684914475	 0.28892
+H	 0.036763391	 1.275976456	 0.3110998728	 0.090537
+H	-1.623485905	-1.1789599278	 0.8656060182	 0.091221
+H	 1.4613544937	-1.313025362	 1.1967752519	 0.084818
+H	 2.4903776799	 1.6223911534	 1.0162550159	 0.085826
+H	 4.7765103417	 0.370245059	 0.6121461137	 0.109458
+H	 4.0299170516	-0.8812448488	 1.6257622018	 0.098231
+H	 4.0954634728	-0.6975653707	-1.4121798922	 0.109743
+H	 3.2991800963	-2.0270692478	-0.545980431	 0.101544
+H	 1.6588013276	 0.3166925213	-1.436281162	 0.106638
+19
+0 1342	3.0562938	0.9628419	0.7738499	3.3143	77.02	-0.24798	-0.03177	0.21621	1442.1518	0.15364	-422.575538	-422.56583	-422.564886	-422.611491	34.237
+C	-4.1454637101	-0.7922914083	 1.6255810573	-0.417121
+C	-3.2208356376	 0.3630055284	 1.2135822814	-0.082701
+C	-4.0408488472	 1.5819458309	 0.8330974171	 0.169634
+O	-3.876980231	 2.6914781432	 1.2698927447	-0.251466
+C	-2.3275079334	-0.0174272541	 0.0232023064	 0.016677
+C	-1.2327079408	 1.014210103	-0.4042389375	-0.374754
+C	-0.2062279219	-0.1267816883	-0.3468377324	 0.407127
+O	 0.9251141663	-0.2455244563	-0.7138356637	-0.284731
+C	-1.2227321932	-1.0926958996	 0.2873407382	-0.370604
+H	-4.7358936404	-0.5338070382	 2.5095534927	 0.131794
+H	-4.8403553037	-1.0480198982	 0.8175529823	 0.123971
+H	-3.5627651715	-1.6881758653	 1.8588122009	 0.131772
+H	-2.5840364153	 0.6594261587	 2.0556040809	 0.093632
+H	-4.8320905036	 1.3759264278	 0.0717545156	 0.071568
+H	-2.9521339288	-0.3035970215	-0.8293536752	 0.085236
+H	-1.3423683958	 1.506910953	-1.373543352	 0.13523
+H	-1.0424244462	 1.7841185014	 0.3517601519	 0.147728
+H	-1.3237215933	-2.0664212209	-0.1982970993	 0.133322
+H	-1.0170789927	-1.2553617159	 1.3516532908	 0.133685
+19
+0 1343	3.6173305	0.799553	0.6932975	1.4452	79.28	-0.25125	-0.03598	0.21526999999999996	1582.4504	0.153652	-422.566406	-422.556405	-422.555461	-422.60265	34.626
+C	-2.2522250439	 2.8590033084	 2.2749892822	-0.414314
+C	-0.8032236233	 2.7253234566	 1.7770512187	-0.089525
+C	-0.5627953769	 3.6831358602	 0.6206544644	 0.169348
+O	 0.2498123397	 4.5695872669	 0.6153729869	-0.244032
+C	-0.4978921272	 1.308962466	 1.3111791679	-0.015953
+C	 0.8954787882	 0.7808078225	 1.2827485759	-0.307014
+C	-0.0726449626	 0.2671839777	 2.3420714079	-0.109228
+C	-0.6034569563	-1.1070396376	 2.2050311731	 0.164196
+O	-0.8864416218	-1.8340897744	 3.1237416551	-0.264292
+H	-2.4450284913	 2.1443201467	 3.0799533197	 0.137924
+H	-2.4486621067	 3.8661342931	 2.6535118979	 0.13368
+H	-2.9662682411	 2.6550024623	 1.4690469991	 0.124445
+H	-0.1029286195	 3.0070584454	 2.5704880192	 0.098672
+H	-1.2203566597	 3.4989628803	-0.2630886182	 0.071853
+H	-1.1642650775	 0.9399568039	 0.533222224	 0.099327
+H	 1.1758328626	 0.0992945449	 0.4864024322	 0.128981
+H	 1.6990164379	 1.4179633309	 1.6347985355	 0.140736
+H	 0.070102932	 0.6003090277	 3.3644262	 0.111197
+H	-0.7315003427	-1.4372602517	 1.1452260085	 0.064001
+19
+0 1344	3.0637881	1.1154306	0.8865458	1.7979	75.65	-0.2504	-0.0269	0.2235	1301.9185	0.154779	-422.525998	-422.516913	-422.515969	-422.560615	32.698
+C	 4.1792329896	 2.7739751955	 0.1632699288	-0.421404
+C	 3.1250606748	 3.8482378743	 0.4726325734	-0.089212
+C	 2.1287537986	 3.3292771515	 1.4924629007	 0.170844
+O	 1.7581507652	 3.9315938817	 2.4669989839	-0.253788
+C	 2.3505859209	 4.2684067966	-0.7892487111	-0.019378
+C	 1.3771342204	 5.4904305042	-0.588393704	-0.286836
+C	 2.2366422864	 6.281168999	-1.5812047239	 0.033228
+O	 2.2546693048	 5.5438297398	-2.8112759246	-0.247266
+C	 3.1528215387	 5.1466932642	-1.7751347102	 0.019115
+H	 4.7628877676	 2.5217101482	 1.0537568328	 0.129673
+H	 3.7071171928	 1.8551740496	-0.2023826616	 0.126349
+H	 4.8752939383	 3.1167166496	-0.6072135571	 0.129228
+H	 3.5984861386	 4.7339963857	 0.9119876928	 0.094467
+H	 1.7248150075	 2.315074929	 1.2574978426	 0.07386
+H	 1.9005153321	 3.3932524272	-1.2698510552	 0.085651
+H	 0.3356528825	 5.3483611662	-0.8851721994	 0.11434
+H	 1.4169433431	 5.8790175938	 0.4319615662	 0.129083
+H	 2.4064582739	 7.3494094308	-1.6455373457	 0.10712
+H	 4.2094839642	 5.1127592431	-2.0161270783	 0.104925
+19
+0 1345	3.9215376	1.0209657	0.8718933	3.5873	75.86	-0.24156	-0.02114	0.22042	1330.5004	0.154891	-422.522188	-422.51318	-422.512236	-422.556453	32.642
+C	 1.5516583766	 0.7536605843	-5.6312477111	-0.405459
+C	 1.4008467688	 0.0468109828	-4.2837816585	-0.099612
+C	 1.8925767862	 0.9055439664	-3.1283629368	 0.140957
+O	 2.2724719438	 2.0440047895	-3.243286657	-0.246442
+C	 2.111618663	-1.311462091	-4.2537230245	 0.11339
+O	 1.8923139601	-1.9957304457	-2.9816815663	-0.30302
+C	 1.1589786529	-3.0266661906	-3.6494127174	 0.105828
+C	 2.0334061962	-3.763755122	-4.6114161189	-0.307926
+C	 1.4173628471	-2.4394901979	-5.0165962906	-0.128798
+H	 1.1186369337	 0.1605369412	-6.4415002098	 0.113205
+H	 1.0567766371	 1.726660209	-5.6084341786	 0.137738
+H	 2.6062877054	 0.9330440462	-5.8613821157	 0.130334
+H	 0.3390731995	-0.1560642584	-4.0726801307	 0.099894
+H	 1.8720584638	 0.3992214027	-2.141534939	 0.104408
+H	 3.1844455652	-1.1840271584	-4.4522351313	 0.091547
+H	 0.2732683949	-3.4172406543	-3.1625529505	 0.107977
+H	 3.0986704459	-3.8427329514	-4.4125253438	 0.120629
+H	 1.5849373515	-4.6320922004	-5.0842916977	 0.119853
+H	 0.7685840283	-2.3186613218	-5.8731911719	 0.105497
+19
+0 1346	2.7155534	1.2526038	0.9317196	2.8424	75.58	-0.24983	-0.02785	0.22198	1255.8613	0.155391	-422.532368	-422.523369	-422.522424	-422.566495	32.939
+O	-4.2596477308	 6.3854408037	 0.5647081522	-0.443574
+C	-3.8043321523	 5.2666851003	-0.1761575631	 0.018307
+C	-3.3372532425	 5.8133055406	-1.5177194611	 0.148611
+O	-2.6565737156	 5.1960405233	-2.295307117	-0.246304
+C	-4.906286763	 4.2215159405	-0.3886980149	-0.008052
+C	-5.3029155621	 3.4678590784	 0.9319787593	-0.280094
+C	-4.8066138888	 2.1576056824	 0.31016782	-0.03453
+C	-5.5390926218	 1.8869274054	-0.9731178999	-0.286987
+C	-4.4208765086	 2.8896981953	-0.9787608507	-0.045361
+H	-4.6743001517	 6.0632467101	 1.3711041568	 0.291742
+H	-2.9393924929	 4.7811278245	 0.3046405399	 0.092704
+H	-3.7029703867	 6.8420161225	-1.7306671767	 0.09577
+H	-5.7396286884	 4.6939550301	-0.9234438377	 0.07651
+H	-4.6991541641	 3.7870582821	 1.7878719167	 0.097596
+H	-6.3586727842	 3.4977355718	 1.2211559755	 0.101426
+H	-4.2728702131	 1.3781723584	 0.8396461243	 0.088209
+H	-5.3101389665	 0.9385883788	-1.4484347416	 0.115713
+H	-6.5713665049	 2.2086816998	-1.0972893654	 0.104454
+H	-3.5443201519	 2.7820345217	-1.6032747868	 0.113862
+19
+0 1347	2.6547475	1.2660463	0.9465154	1.5804	76.77	-0.23957	-0.03218	0.20739000000000002	1243.5068	0.156143	-422.577263	-422.568216	-422.567272	-422.611702	32.928
+O	-0.2392037798	 0.7362218335	-3.8301698554	-0.426941
+C	-0.4079697049	 1.0291922215	-2.4488194129	 0.016043
+C	-1.687818562	 1.8344947676	-2.2672951089	 0.126863
+O	-2.4079777398	 1.7892225925	-1.3031157631	-0.242792
+C	 0.8099305528	 1.8550003225	-1.9842853867	-0.001421
+C	 2.1321145358	 1.0763952883	-2.2490554379	-0.27113
+C	 2.505046999	 0.5435494664	-0.8874727493	-0.059504
+C	 1.7764592596	 1.0891685531	 0.0838059452	-0.057565
+C	 0.773411082	 2.0862441503	-0.445028952	-0.284113
+H	-0.8903604787	 0.0747430359	-4.0841866646	 0.292004
+H	-0.4739955838	 0.1163708286	-1.8396323374	 0.096822
+H	-1.9061620917	 2.4944398973	-3.139161745	 0.087271
+H	 0.7958315562	 2.7990450876	-2.5374319032	 0.080351
+H	 1.9956682139	 0.2981924438	-3.0054819039	 0.120256
+H	 2.9130666864	 1.7446746353	-2.63657162	 0.104615
+H	 3.3001385116	-0.1800079398	-0.744286759	 0.090775
+H	 1.8832412354	 0.881727682	 1.1427410112	 0.092641
+H	-0.2290177534	 1.9441200112	-0.0270825263	 0.12922
+H	 1.0675516714	 3.1130828722	-0.1892142909	 0.106605
+19
+0 1348	2.7305724	1.1602529	0.8594578	3.9854	76.57	-0.24473	-0.0313	0.21343	1334.2486	0.154263	-422.575438	-422.565825	-422.56488	-422.610689	33.912
+C	-2.5075948843	-2.3801036298	 1.4699151271	-0.396796
+C	-1.0732042805	-2.0945564018	 1.0231138384	-0.101957
+C	-0.2341026393	-1.4913530278	 2.1441996303	 0.136129
+O	-0.6535086876	-1.2644974914	 3.2513140622	-0.245699
+C	-1.0063721117	-1.1836814103	-0.2144604019	-0.09544
+C	-1.6144449763	-1.6622345233	-1.5750410033	-0.256962
+C	-0.3455243177	-1.1641546366	-2.3298495787	-0.333793
+C	 0.3355326124	-1.0343402885	-0.9605206571	 0.385645
+O	 1.4762976576	-0.9844945962	-0.5979271345	-0.295973
+H	-2.5163008145	-3.0327212733	 2.3460015683	 0.133982
+H	-3.0178374109	-1.4536787328	 1.7496879455	 0.128638
+H	-3.0780232278	-2.8617305823	 0.6707485928	 0.113412
+H	-0.5699034854	-3.0379774939	 0.7555898982	 0.096689
+H	 0.8146934408	-1.265201297	 1.8620495153	 0.113446
+H	-1.3889520482	-0.1850813597	 0.037021343	 0.112035
+H	-1.7145506508	-2.7497407991	-1.6140562408	 0.118425
+H	-2.5621626365	-1.2082055849	-1.8642487949	 0.116619
+H	 0.1345455029	-1.8347930276	-3.0460197178	 0.134057
+H	-0.4805497921	-0.1864978736	-2.8038397321	 0.137544
+19
+0 1349	2.5253863	1.3082113	1.0709862	2.4594	77.22	-0.23276	-0.01802	0.21474	1197.34	0.155269	-422.568462	-422.559191	-422.558247	-422.603475	32.768
+C	-0.3320890661	 0.7874419359	 0.2294138898	-0.41278
+C	 0.8570093729	 1.7589684343	 0.1298970101	-0.08054
+C	 1.9655089749	 1.3019311685	 1.0603345838	 0.167323
+O	 3.0376600163	 0.888419605	 0.6979680501	-0.258784
+C	 0.4173343999	 3.2049002885	 0.4561314022	 0.072131
+O	-0.1210429103	 3.2765254014	 1.7808998021	-0.279006
+C	 0.5101564171	 4.3203945907	 2.5227839657	-0.119079
+C	 1.5794910796	 4.8531049318	 1.6121899084	-0.093245
+C	 1.5248766602	 4.2267442859	 0.4430111171	-0.097341
+H	-0.7399791626	 0.7784417836	 1.2438620954	 0.142078
+H	-1.1318669352	 1.0976599071	-0.4507420616	 0.122359
+H	-0.032770318	-0.2298846963	-0.0379918801	 0.126694
+H	 1.2654162078	 1.7477817887	-0.8870176777	 0.090787
+H	 1.7032711683	 1.352304662	 2.140536658	 0.083159
+H	-0.374173029	 3.4707834896	-0.2666503089	 0.084935
+H	-0.2299735527	 5.0903781246	 2.7931500122	 0.110491
+H	 0.9129077541	 3.913012809	 3.4622969639	 0.111935
+H	 2.2670993575	 5.6376667558	 1.9008626826	 0.113648
+H	 2.1580561851	 4.3936928039	-0.418766703	 0.115236
+19
+0 1350	2.8326192	1.1717288	0.8682606	1.7349	77.86	-0.24077	-0.03309	0.20768	1315.7964	0.155902	-422.576795	-422.567609	-422.566665	-422.611556	33.092
+O	 0.7637092072	-1.0154438453	-1.6024225697	-0.428489
+C	-0.2274690575	-1.032632441	-0.5847840032	 0.014984
+C	 0.2900442028	-1.7951838489	 0.6296347744	 0.120757
+O	-0.0527044174	-1.597787256	 1.7666095233	-0.242867
+C	-1.4630725722	-1.7440469029	-1.1625815666	-0.022295
+C	-1.9973629885	-1.0685673357	-2.4560249232	-0.221326
+C	-3.5402072953	-1.1940597696	-2.3792719883	-0.261712
+C	-3.7893893243	-1.4358951356	-0.9100466674	-0.075653
+C	-2.6720303948	-1.733335838	-0.2500190203	-0.07435
+H	 1.4839509546	-0.4428112872	-1.3201003164	 0.291321
+H	-0.5125536312	-0.0194432845	-0.2664424334	 0.091797
+H	 1.0306306273	-2.5851178195	 0.3611651593	 0.08504
+H	-1.1598257297	-2.781441431	-1.3748528186	 0.08632
+H	-1.7133916253	-0.0112472995	-2.4473243957	 0.10605
+H	-1.5718889523	-1.505697696	-3.3605942784	 0.108962
+H	-4.0518367386	-0.3028848512	-2.7599898469	 0.104307
+H	-3.9116428595	-2.0380023991	-2.9777225324	 0.107651
+H	-4.7804582566	-1.4043230979	-0.470499585	 0.095246
+H	-2.6042438787	-1.9717836012	 0.8047672686	 0.114256
+19
+0 1351	2.6400839	1.0502108	0.7974228	1.3466	78.4	-0.25563	-0.02898	0.22665000000000002	1425.5945	0.152731	-422.540371	-422.529836	-422.528892	-422.576224	37.405
+C	-1.8959778177	 3.7376906536	-1.1204416523	-0.415258
+C	-1.2427533393	 2.3562634629	-1.3383304663	-0.091933
+C	 0.239503089	 2.5641248615	-1.5724802844	 0.154759
+O	 1.1367148707	 2.081795368	-0.927025759	-0.249689
+C	-1.5540973525	 1.3807815315	-0.1973415611	 0.142572
+O	-2.9631547671	 1.3776329413	-0.0418942626	-0.447
+C	-1.0322111023	-0.050518355	-0.4749491972	-0.381575
+C	-1.4819782115	-0.9748188303	 0.5588094499	 0.256744
+C	-1.9011917263	-1.6845341943	 1.4354339639	-0.419925
+H	-1.5361526156	 4.1963745482	-0.1934964595	 0.128418
+H	-1.662826637	 4.4152993102	-1.9479110522	 0.116349
+H	-2.97783312	 3.6272919364	-1.0499220711	 0.155166
+H	-1.6516402157	 1.9447869348	-2.274729877	 0.102355
+H	 0.4603240823	 3.2555879805	-2.4185557009	 0.084938
+H	-1.0631229339	 1.7453453693	 0.7182872408	 0.087755
+H	-3.1747390313	 0.6918420661	 0.603749632	 0.287978
+H	-1.4053059166	-0.383792102	-1.4520229429	 0.12751
+H	 0.0600687326	-0.031463959	-0.520602477	 0.161104
+H	-2.240064218	-2.3389336538	 2.2001937966	 0.199731
+19
+0 1352	2.2870798	1.0601723	0.9629746	2.5378	77.52	-0.25298	-0.02916	0.22382	1336.4421	0.152423	-422.537411	-422.52668	-422.525736	-422.573916	37.725
+C	 4.6962941331	 0.4995236302	-1.414212966	-0.414622
+C	 3.1741910824	 0.622711188	-1.2746800773	 0.018258
+C	 2.6958612208	-0.1724189682	-0.03375476	-0.380251
+C	 1.2679800942	-0.0593164441	 0.2398537579	 0.279693
+C	 0.0911740297	 0.0645868883	 0.4566461517	-0.434651
+C	 2.7168852684	 2.0912128764	-1.1907617162	 0.002615
+O	 3.2595640093	 2.7845497071	-0.0746626811	-0.436942
+C	 3.071329615	 2.8951838103	-2.4339384213	 0.157497
+O	 3.0645090432	 2.4531617745	-3.5535481092	-0.252194
+H	 5.1996433793	 1.013192027	-0.5892988395	 0.129831
+H	 5.0045551797	-0.5506263965	-1.4031162067	 0.11194
+H	 5.0398237117	 0.9374279836	-2.3543630335	 0.134663
+H	 2.6930137504	 0.2048013083	-2.1656686128	 0.106929
+H	 2.9608509277	-1.2278271317	-0.1685928022	 0.137142
+H	 3.2611419088	 0.1709165368	 0.8425599384	 0.13197
+H	-0.9491665122	 0.1503922165	 0.6522628943	 0.20013
+H	 1.6156199506	 2.1019761644	-1.1464532088	 0.115593
+H	 2.6759511377	 2.6472127041	 0.6767828978	 0.299754
+H	 3.3174441401	 3.957292085	-2.2124366056	 0.092645
+19
+0 1353	3.4485135	0.9284111	0.8856584	2.5593	77.49	-0.26163	0.03751	0.29913999999999996	1381.549	0.153208	-422.508233	-422.498129	-422.497185	-422.543355	36.821
+C	 0.2223478362	 2.9944225491	-1.1508448984	-0.470552
+C	-1.13940615	 2.3447283687	-1.2458504643	 0.427473
+C	-1.8416660008	 2.2637247761	-2.5357874144	-0.236475
+O	-2.2133751419	 3.2413072328	-1.5651703351	-0.280647
+C	-1.4946192067	 1.3188872202	-0.1802515765	 0.069444
+O	-1.1855736049	 1.8817536329	 1.078889379	-0.440781
+C	-0.7409892057	-0.0211327	-0.389656901	-0.372568
+C	-1.0430201861	-0.9589733311	 0.6841761498	 0.257229
+C	-1.324844809	-1.6732516539	 1.6102780288	-0.416099
+H	 0.3402169399	 3.4722195832	-0.1759022646	 0.152438
+H	 1.0263851959	 2.2600074435	-1.2668003987	 0.117716
+H	 0.3298005816	 3.7495824107	-1.9327713441	 0.124547
+H	-1.3567403543	 2.6483976184	-3.432308062	 0.111904
+H	-2.5771089237	 1.4785120733	-2.7128602351	 0.108117
+H	-2.5737595903	 1.1224287888	-0.2659460485	 0.084645
+H	-1.3417222122	 1.2007658709	 1.7446303163	 0.28954
+H	-1.0185612641	-0.4506637369	-1.3593524628	 0.132866
+H	 0.3382205254	 0.1695879231	-0.415591242	 0.138946
+H	-1.5593643592	-2.3340138898	 2.4081056436	 0.202259
+19
+0 1354	2.1701446	1.3382968	1.0298425	1.8041	76.03	-0.25173	0.04653	0.29826	1226.8428	0.153879	-422.513101	-422.503186	-422.502241	-422.548049	37.096
+O	 4.4712269471	 1.4207006507	-0.0603682049	-0.432922
+C	 3.0645970388	 1.4116878662	 0.1127824981	 0.075422
+C	 2.5598852173	-0.0519382653	 0.0135792264	-0.391236
+C	 1.1109734157	-0.2025034861	 0.0148339163	 0.310014
+C	-0.0857045703	-0.3207527865	 0.0064278919	-0.460348
+C	 2.7066161944	 2.0855070723	 1.4246451173	 0.389856
+O	 3.3449671935	 1.4726780797	 2.5260561055	-0.481191
+C	 1.3792628276	 2.7527030361	 1.6445154248	-0.319717
+C	 2.6407325206	 3.580373552	 1.4949274964	-0.304514
+H	 4.845053616	 1.2422220694	 0.812514456	 0.287784
+H	 2.6366563296	 1.985316309	-0.7163250375	 0.093002
+H	 2.9815734654	-0.4759200387	-0.9041439452	 0.142683
+H	 3.0004551652	-0.6250596879	 0.8402574476	 0.115571
+H	-1.1417514786	-0.4307887843	-0.0016181663	 0.196724
+H	 2.8049973184	 0.7253905691	 2.8068697603	 0.291446
+H	 0.6569671674	 2.7415889595	 0.8370858874	 0.126867
+H	 0.951124702	 2.6740390364	 2.6379384645	 0.114548
+H	 2.7912216328	 4.1442008603	 0.5811715359	 0.122491
+H	 3.0453010572	 4.0376999183	 2.3899657256	 0.123518
+19
+0 1355	4.8568782	0.7569898	0.6898589	0.8063	78.95	-0.26319	0.04068	0.30387	1634.7134	0.153344	-422.509555	-422.499346	-422.498402	-422.54516	36.568
+C	-2.2768170423	 4.5446167166	 2.502698662	-0.42117
+C	-2.4805521922	 3.2003503327	 1.8563166338	 0.079561
+O	-1.9054522309	 2.0674310395	 2.5281359255	-0.268506
+C	-1.3838035426	 2.4386686868	 1.249657891	 0.053823
+C	-1.6078570592	 1.4359863707	 0.141374393	 0.099307
+O	-1.2381241211	 2.0722566787	-1.0655616049	-0.441415
+C	-0.7719409229	 0.1572172369	 0.392713811	-0.363034
+C	-0.8899519773	-0.7719493965	-0.7233576351	 0.254018
+C	-1.0186867872	-1.4747053853	-1.6915343899	-0.421146
+H	-2.9383596344	 4.6610548595	 3.3673488268	 0.129825
+H	-1.2443275225	 4.6594721883	 2.8432109376	 0.128406
+H	-2.5037703335	 5.3473159417	 1.793166288	 0.128055
+H	-3.4842504749	 3.0103518871	 1.4718180301	 0.092393
+H	-0.3804992299	 2.8689271341	 1.268459923	 0.094485
+H	-2.6708198412	 1.1483036217	 0.1328224337	 0.079195
+H	-1.2280449193	 1.3946011956	-1.7530944665	 0.29006
+H	 0.2794794456	 0.4402761339	 0.5289112921	 0.134565
+H	-1.1092872949	-0.3068847166	 1.3259749453	 0.150894
+H	-1.1175554592	-2.1289388053	-2.5223225968	 0.200682
+19
+0 1356	1.7596037	1.4240072	0.8379105	2.0334	76.49	-0.23905	0.05299	0.29204	1358.7848	0.15306	-422.503953	-422.49335	-422.492406	-422.540234	37.683
+O	 4.3627939163	-1.4386889468	-0.6818003672	-0.423934
+C	 2.9748605597	-1.3966765646	-0.364174884	 0.104963
+C	 2.597273754	 0.0268010453	 0.1143038536	-0.378145
+C	 1.1643459414	 0.2331065023	 0.2730619587	 0.309041
+C	-0.0223130413	 0.3856716821	 0.3885381996	-0.448347
+C	 2.5781915907	-2.4682831478	 0.625579213	-0.076527
+C	 2.6211619455	-3.9333733189	 0.2101971491	-0.348295
+C	 1.3053422008	-3.2615457609	 0.4686981665	 0.158706
+O	 0.4895496393	-3.5899833311	 1.5522777753	-0.425931
+H	 4.8528248134	-1.5120519085	 0.1442228453	 0.278578
+H	 2.4659707862	-1.5822915719	-1.3171348236	 0.094599
+H	 3.1107687103	 0.2250070723	 1.0657442665	 0.116498
+H	 3.0055151903	 0.7391025931	-0.6114161483	 0.138353
+H	-1.0695897061	 0.5195109545	 0.5003421213	 0.196699
+H	 2.869010723	-2.2615379667	 1.6558383204	 0.073867
+H	 2.9055656356	-4.1674640046	-0.8104339631	 0.126778
+H	 2.9788570102	-4.650593506	 0.9434454648	 0.105034
+H	 0.6833547863	-3.021815619	-0.3869858592	 0.115626
+H	 1.0377524344	-3.9541860228	 2.2541819514	 0.282436
+19
+0 1357	2.209786	1.3174665	0.8786385	1.7274	76.7	-0.24079	0.0534	0.29419	1318.8296	0.154481	-422.499383	-422.489501	-422.488557	-422.535329	35.044
+O	 4.5194106117	-1.2619574687	-0.625928832	-0.431413
+C	 3.0991787988	-1.2760317001	-0.5573294129	 0.081644
+C	 2.5812314568	 0.0561512209	 0.0351522129	-0.383962
+C	 1.1702461665	 0.0649818556	 0.3961702602	 0.326028
+C	 0.0175646444	 0.0731532099	 0.7343552041	-0.454579
+C	 2.6533633724	-1.5161209162	-1.9963281899	 0.180477
+C	 2.9610956462	-2.9068512926	-2.5881980631	-0.290154
+C	 1.4315226796	-3.0134038695	-2.7513784689	-0.06386
+O	 1.233574792	-1.7244941555	-2.129132094	-0.285497
+H	 4.8665514231	-1.2196793744	 0.270398618	 0.287403
+H	 2.7372097087	-2.1076196924	 0.0661453298	 0.077975
+H	 3.1768069027	 0.2709462868	 0.9338014219	 0.114744
+H	 2.8042076106	 0.863057427	-0.6743829341	 0.136153
+H	-1.008958787	 0.0766315546	 1.0045985145	 0.193421
+H	 2.9961867689	-0.6735592777	-2.6139825279	 0.077955
+H	 3.5438942639	-2.9123821306	-3.5094739917	 0.112978
+H	 3.4070391008	-3.6056059478	-1.8787190334	 0.114251
+H	 1.0671278233	-3.0233500192	-3.7860531174	 0.102047
+H	 0.9345884164	-3.8160557302	-2.1938925261	 0.104388
+19
+0 1358	2.8510165	1.0080833	0.8656018	3.0048	76.65	-0.23734	0.04203	0.27937	1372.4147	0.155076	-422.498663	-422.48899	-422.488046	-422.533888	34.653
+O	 4.5247880441	 1.3547626289	 0.6098662955	-0.419058
+C	 3.1067174461	 1.3432102097	 0.680501185	 0.069897
+C	 2.5615284222	-0.0060879111	 0.1454711281	-0.373569
+C	 1.1204991154	-0.1516788431	 0.2965766917	 0.301828
+C	-0.068860459	-0.2448056549	 0.4450222878	-0.449792
+C	 2.592974343	 2.5309032891	-0.1191783734	-0.025753
+C	 3.1932073736	 2.7855593954	-1.5230453212	-0.080968
+O	 3.599630718	 4.1181410426	-1.1526978712	-0.273345
+C	 3.1743792775	 3.9234067313	 0.2108229018	-0.089001
+H	 4.868883042	 0.7044264531	 1.2296253869	 0.287738
+H	 2.7711793782	 1.4572519816	 1.7236040928	 0.082569
+H	 2.8501215938	-0.1057920338	-0.9082792833	 0.142
+H	 3.0682627228	-0.8204438829	 0.6804468488	 0.119348
+H	-1.1197266833	-0.3382477329	 0.5657842081	 0.199841
+H	 1.5019166511	 2.5073373077	-0.1162199361	 0.098035
+H	 4.0526369136	 2.1530781034	-1.7747482791	 0.110361
+H	 2.4846484614	 2.7901037257	-2.3596737469	 0.097537
+H	 4.0229604087	 3.9058423865	 0.9050708034	 0.106648
+H	 2.4552563211	 4.6872812437	 0.5301793313	 0.095683
+19
+0 1359	2.7142875	0.8757029	0.7806372	2.0942	77.62	-0.24337	-0.01168	0.23169	1515.1049	0.152518	-422.547733	-422.536956	-422.536012	-422.584687	37.785
+C	 2.5549287643	-3.7814182663	-2.5960524442	-0.483494
+C	 3.0430058853	-3.721367273	-1.1607588382	 0.393812
+O	 3.7569782278	-4.5770870039	-0.6913944735	-0.300511
+C	 2.6003246943	-2.525249427	-0.3215898999	-0.327017
+C	 2.9533181817	-1.1757846825	-0.95989129	 0.116146
+O	 4.3157302614	-1.1289877564	-1.3594524119	-0.425028
+C	 2.6261671569	 0.0179972144	-0.0316271871	-0.372774
+C	 1.2059986576	 0.1494727154	 0.261874861	 0.29984
+C	 0.0260760474	 0.2320699879	 0.4771151267	-0.447024
+H	 2.7483224382	-4.7728313782	-3.0071571335	 0.141399
+H	 1.4894838337	-3.5406997815	-2.6714278475	 0.130875
+H	 3.102097139	-3.0384009971	-3.1874168347	 0.161348
+H	 1.5155600117	-2.5702677642	-0.1652253777	 0.135951
+H	 3.0807795336	-2.6199068922	 0.6592774024	 0.111129
+H	 2.3835202945	-1.046004381	-1.8859862144	 0.107032
+H	 4.8586769633	-1.4367824783	-0.6243456854	 0.289278
+H	 3.1941751875	-0.0918240694	 0.9024708671	 0.124964
+H	 2.9985320893	 0.9260430218	-0.5192962104	 0.143649
+H	-1.0130543874	 0.3186732513	 0.6780836913	 0.200423
+19
+0 1360	3.2074363	0.842038	0.7575754	3.7162	78.83	-0.26582	0.01218	0.278	1534.0581	0.152934	-422.55646	-422.545964	-422.54502	-422.592704	37.137
+C	 2.9493502246	 0.434164696	 2.4908973608	-0.390051
+C	 3.2078635405	-0.4018035935	 1.2454760884	 0.111421
+C	 2.3900591587	 0.0708451154	 0.022454091	-0.358006
+C	 0.9554528448	-0.1073698783	 0.1983446061	 0.296961
+C	-0.2228277268	-0.2756016371	 0.3658379278	-0.444227
+O	 4.6020486543	-0.2585768818	 0.9281896027	-0.228464
+C	 5.3738854267	-1.2648760209	 0.4393746746	 0.405399
+C	 4.7706237846	-2.6531001193	 0.3228026044	-0.525275
+O	 6.5095861443	-1.0186604179	 0.1386732874	-0.308464
+H	 3.5350580908	 0.0556433198	 3.3322540577	 0.127451
+H	 3.2355586068	 1.4752096166	 2.3138662803	 0.134193
+H	 1.8890451512	 0.4001999185	 2.7527191799	 0.137865
+H	 2.9671259618	-1.4484216981	 1.4491647223	 0.102326
+H	 2.6269938535	 1.1253299761	-0.1644053697	 0.146603
+H	 2.7256674012	-0.4821532979	-0.8632292801	 0.134617
+H	-1.267022314	-0.4136657877	 0.5013520166	 0.202085
+H	 4.4981294129	-3.0494638957	 1.3061462988	 0.153089
+H	 3.8709120842	-2.6635831497	-0.2992038758	 0.147076
+H	 5.5243151996	-3.3002948145	-0.1232950233	 0.1554
+19
+0 1361	3.419039	0.8558933	0.7227553	2.7815	77.52	-0.26128	0.05155	0.31283	1542.4824	0.154535	-422.504598	-422.494889	-422.493945	-422.539811	35.334
+O	 4.4734644716	 1.1287018696	 0.7717462003	-0.448845
+C	 3.064638291	 1.1541476116	 0.9057270511	 0.145948
+C	 2.5425592529	-0.038263397	 0.0828289591	-0.357714
+C	 1.1133364761	-0.2695109993	 0.2369870919	 0.299009
+C	-0.0683568918	-0.4393568805	 0.3801469758	-0.458455
+C	 2.4831293438	 2.4944675413	 0.4282868759	-0.258883
+C	 2.8543120624	 3.6302441603	 1.3527153748	 0.080467
+C	 3.4731508702	 4.8718452055	 0.8736658083	-0.177642
+O	 4.2676487812	 3.8740460717	 1.5236932214	-0.246745
+H	 4.805028888	 2.0000050978	 1.0271158378	 0.299022
+H	 2.7702721466	 0.9951065801	 1.9572530399	 0.074865
+H	 2.7921653369	 0.1304495417	-0.9722421081	 0.132118
+H	 3.1062820037	-0.9247782927	 0.3951902458	 0.142405
+H	-1.110381951	-0.6047832688	 0.499110787	 0.195268
+H	 2.8610607056	 2.6902069588	-0.5822614777	 0.104708
+H	 1.3912133847	 2.423694099	 0.3723619583	 0.121856
+H	 2.3053040582	 3.6702853616	 2.2942026778	 0.105855
+H	 3.6598721821	 4.996145414	-0.1917602492	 0.12322
+H	 3.3511566577	 5.7953503555	 1.4364824596	 0.123542
+19
+0 1362	3.0547809	0.90943	0.7342743	3.0366	79.08	-0.2383	-0.00663	0.23167000000000001	1521.1072	0.15255	-422.53465	-422.523943	-422.522999	-422.571	37.661
+C	 0.2305390714	-2.7764167478	-4.1085863443	-0.417903
+C	-0.0309105523	-3.4712483145	-2.7565230301	-0.059647
+C	 0.5199482535	-2.6253091417	-1.5980107729	-0.19404
+C	 0.3950675092	-3.3126453303	-0.2321360864	-0.093742
+O	-1.0008942991	-3.4385927933	 0.0295513736	-0.403844
+C	 1.0775284428	-2.562945646	 0.827590621	 0.313744
+C	 1.6289115138	-1.959057645	 1.708544909	-0.443583
+C	-1.5295992447	-3.7157489333	-2.6526210705	 0.184462
+O	-2.0625982596	-4.7681134596	-2.8911970893	-0.268018
+H	-0.1122511485	-3.3989204481	-4.939469551	 0.135246
+H	-0.2923804115	-1.8148538695	-4.1658177987	 0.123481
+H	 1.2995934071	-2.5831771356	-4.2404544711	 0.123026
+H	 0.4499887688	-4.4564185286	-2.764484955	 0.091514
+H	 1.5757581598	-2.4025434321	-1.7814830937	 0.115381
+H	-0.0045316817	-1.6636862205	-1.542324699	 0.120236
+H	 0.8582492143	-4.3102626014	-0.3025371107	 0.102944
+H	-1.1184898149	-3.9566215959	 0.8324233699	 0.294913
+H	 2.1161711261	-1.4234966838	 2.4857920838	 0.201987
+H	-2.1239801546	-2.8070258331	-2.4054209748	 0.073844
+19
+0 1363	2.4509162	0.97614	0.8287266	2.696	77.98	-0.25287	-0.02724	0.22563	1448.5164	0.152638	-422.536574	-422.525861	-422.524917	-422.573299	37.57
+C	-2.2168898453	 0.4577972468	-3.4618636937	-0.393713
+C	-1.711418878	 0.1460712523	-2.0406946223	-0.160395
+C	-0.1907948643	-0.1351399908	-2.036727735	-0.190105
+C	 0.3948783981	-0.2880690887	-0.6282438279	 0.004994
+O	-0.3270388834	-1.1976079534	 0.1893910195	-0.44006
+C	 1.8378433433	-0.7710819377	-0.6565830508	 0.154813
+O	 2.6201904058	-0.5221412427	-1.5363087329	-0.248348
+C	-2.0722135639	 1.2082871296	-1.0997732261	 0.330447
+C	-2.3565641255	 2.0701577549	-0.3092040602	-0.495966
+H	-1.9628559302	-0.3629156607	-4.1395038121	 0.121361
+H	-3.301602539	 0.5914517318	-3.4708885893	 0.127189
+H	-1.7571354218	 1.3738636454	-3.8441257317	 0.13005
+H	-2.2059762595	-0.7718752252	-1.6975083264	 0.116789
+H	-0.0135747156	-1.0524690306	-2.6082705488	 0.113471
+H	 0.3482849781	 0.6688985868	-2.5473690666	 0.123176
+H	 0.4235549358	 0.7060276173	-0.1514063109	 0.111979
+H	-1.0751069229	-0.7208985483	 0.5633828273	 0.298311
+H	 2.1133083739	-1.3767030772	 0.2348628954	 0.092729
+H	-2.6210696457	 2.8388725503	 0.3745420627	 0.203279
+19
+0 1364	2.2725303	0.9652563	0.9231246	1.9659	78.58	-0.24677	-0.03236	0.21441	1426.7972	0.151582	-422.524332	-422.513493	-422.512549	-422.561263	37.576
+C	-1.5438067466	 1.5282351643	-0.8795644824	-0.412297
+C	-0.3755589051	 1.9752517772	 0.0002557293	 0.045568
+O	-0.8960391059	 2.8388523956	 0.9975647977	-0.256497
+C	 0.0806652779	 3.6153584415	 1.6916796035	-0.046797
+C	-0.6364022662	 4.2767865159	 2.8684956877	-0.395124
+C	 0.7153796194	 4.6049302228	 0.8106267788	 0.356665
+C	 1.2309347338	 5.4195331993	 0.0926944935	-0.488908
+C	 0.2664610198	 0.7482414443	 0.6443404921	 0.136845
+O	 1.1233248441	 0.0783182346	 0.1317204385	-0.240483
+H	-2.2972254921	 1.0049076817	-0.2826439771	 0.129936
+H	-2.0130042369	 2.4034425421	-1.3351990262	 0.136513
+H	-1.1866997489	 0.8587865257	-1.6659186223	 0.138501
+H	 0.3795683206	 2.4859543707	-0.6115256948	 0.107521
+H	 0.8701231132	 2.9516926017	 2.0820329003	 0.103824
+H	-1.0747983655	 3.507268621	 3.5085494618	 0.126465
+H	 0.0660371904	 4.8752656381	 3.453142932	 0.130881
+H	-1.4331862168	 4.9270980106	 2.5000654095	 0.139793
+H	 1.6909467487	 6.1371815559	-0.5413240839	 0.205494
+H	-0.1662028437	 0.5000182269	 1.6430154021	 0.082099
+19
+0 1365	3.3324237	0.8884439	0.8606147	1.765	77.52	-0.26041	0.02603	0.28644	1421.6691	0.152887	-422.501417	-422.491153	-422.490209	-422.537014	37.037
+C	 2.7838682069	-2.0632657176	-0.6688349218	-0.467148
+C	 3.0517044764	-2.3375981133	-2.1333521461	 0.401867
+C	 3.3988030014	-1.1447674489	-3.0089349673	-0.267295
+C	 2.2168376605	-0.1755769993	-3.2374701833	-0.097411
+O	 1.1265485738	-0.8125612081	-3.8998600346	-0.425048
+C	 2.637428872	 0.9630830178	-4.0511720118	 0.358338
+C	 3.0211504594	 1.8965362366	-4.7019219219	-0.434571
+C	 2.4941230663	-3.5512402827	-2.7643568885	-0.240796
+O	 3.8671846622	-3.4910952517	-2.3781340763	-0.281795
+H	 2.5969045565	-2.9970351044	-0.1335312544	 0.13224
+H	 3.6480008672	-1.5719220929	-0.2087901861	 0.132414
+H	 1.9169726973	-1.4078213769	-0.5305970049	 0.12151
+H	 4.2253254285	-0.5869461046	-2.553123995	 0.114041
+H	 3.74254263	-1.5075218667	-3.9812358829	 0.127442
+H	 1.884421779	 0.2159316648	-2.2618893356	 0.099656
+H	 0.8001646262	-1.5025648488	-3.312952817	 0.289701
+H	 3.3469809095	 2.7255890407	-5.2802519463	 0.200307
+H	 1.875359983	-4.2299594774	-2.177832008	 0.11205
+H	 2.3096620537	-3.5645836767	-3.837543648	 0.124498
+19
+0 1366	3.5149496	0.9295977	0.8632634	2.1478	77.75	-0.25289	0.02169	0.27458	1393.1808	0.154195	-422.506536	-422.496719	-422.495774	-422.541237	36.756
+O	-0.0583453287	 0.9794588344	-1.502969744	-0.427642
+C	 1.2492912907	 0.659837955	-1.0119674479	-0.082109
+C	 1.2073628215	-0.3365029536	 0.1702495034	-0.300212
+C	 0.1480288693	-1.4095911743	-0.0394942549	 0.450707
+O	 0.0836436847	-1.9123322367	-1.3474207559	-0.477314
+C	-1.1457460395	-1.3530963365	 0.7385892294	-0.322711
+C	-0.1069409909	-2.4186408955	 1.0354818976	-0.313771
+C	 2.0101263321	 1.8625930733	-0.6730141766	 0.296225
+C	 2.6133256919	 2.8535902357	-0.3580498542	-0.417495
+H	-0.5259708352	 1.4609301605	-0.81104641	 0.289678
+H	 1.7279900266	 0.1581394437	-1.8591001548	 0.133677
+H	 2.203969134	-0.7851936011	 0.259259508	 0.119257
+H	 1.0148999822	 0.2012710786	 1.1050706398	 0.104132
+H	-0.3055995341	-1.2036229641	-1.8779376539	 0.291377
+H	-1.2923236899	-0.5594571721	 1.4643902576	 0.102114
+H	-2.0429107966	-1.6678834668	 0.2175667673	 0.116478
+H	 0.4596406879	-2.3482199721	 1.9578794901	 0.111165
+H	-0.3210177496	-3.4284806776	 0.705905651	 0.125558
+H	 3.1539187735	 3.7307919493	-0.1001903621	 0.200886
+19
+0 1367	2.6496778	0.9599381	0.8291796	1.1275	78.51	-0.24758	0.03964	0.28722	1461.1542	0.152965	-422.49079	-422.480613	-422.479669	-422.526399	36.89
+C	-2.314510858	 1.6270912029	-2.5486624578	-0.395813
+C	-1.7709466982	 1.8533615392	-1.1379298905	-0.032293
+O	-0.383364763	 1.5156369741	-1.1711554149	-0.247977
+C	 0.2220876977	 1.4696588488	 0.0840814287	 0.103736
+C	 1.4380645134	 0.5976202647	 0.2015292324	-0.351635
+C	 0.1445556659	 0.2073889968	 0.8912457368	 0.064925
+O	 0.0170242908	 0.3507414257	 2.2741326177	-0.419471
+C	-1.9849042478	 3.2345225843	-0.685646065	 0.350812
+C	-2.1610301285	 4.3670828747	-0.3235469499	-0.494787
+H	-2.1524141314	 0.5863270446	-2.8400203939	 0.122888
+H	-3.3838797781	 1.8483862218	-2.5837907959	 0.127604
+H	-1.7963682869	 2.2774917905	-3.257308528	 0.137603
+H	-2.2848275627	 1.1784938538	-0.4354284221	 0.10335
+H	 0.2120205882	 2.4030669401	 0.6438513632	 0.110932
+H	 1.7297856839	 0.0299043896	-0.6749426232	 0.123689
+H	 2.2518362335	 0.9625901806	 0.818352515	 0.117138
+H	-0.4095536314	-0.6186056465	 0.4444175161	 0.089883
+H	 0.5712778711	-0.3150192486	 2.6950009444	 0.28856
+H	-2.3169006187	 5.365679963	 0.0030810969	 0.200854
+19
+0 1368	3.7887026	0.736969	0.6952441	1.233	78.39	-0.25815	0.02599	0.28414	1663.7509	0.15333	-422.503097	-422.492812	-422.491868	-422.538996	36.691
+C	 3.0439908961	 2.9445349837	 2.6896953723	-0.414734
+C	 1.6155467098	 2.4712080222	 2.6255982969	 0.079797
+O	 0.6165817918	 3.3660572714	 3.1317454004	-0.268484
+C	 0.8333687795	 2.1319560762	 3.8239591267	 0.060471
+C	-0.3058129107	 1.1402348805	 3.7935843466	-0.246979
+C	 0.140050263	-0.2611141901	 4.2591240679	-0.056563
+O	 0.6925843839	-0.2284170382	 5.5744985154	-0.419763
+C	-0.9559863276	-1.2277433479	 4.1568009348	 0.292201
+C	-1.8819116959	-1.9926779426	 4.1049686548	-0.43041
+H	 3.259418757	 3.3958276771	 3.6618951019	 0.128964
+H	 3.7340587025	 2.1087371152	 2.531364441	 0.122206
+H	 3.238092441	 3.6930916464	 1.9143490137	 0.128759
+H	 1.3265542677	 1.9849307681	 1.6909741598	 0.084806
+H	 1.3228966663	 2.2416399288	 4.7911157277	 0.101562
+H	-1.1177967377	 1.4855928986	 4.4463261698	 0.108784
+H	-0.7170819301	 1.0773961979	 2.780890558	 0.118714
+H	 0.9690800868	-0.5933149399	 3.6217986974	 0.121615
+H	-0.0413685255	-0.144776556	 6.1937590441	 0.286976
+H	-2.6871245677	-2.6834182013	 4.0506167608	 0.202079
+19
+0 1369	3.9345934	0.8230375	0.7181927	2.5323	78.4	-0.25028	0.03872	0.289	1550.0413	0.15398	-422.502581	-422.492534	-422.491589	-422.537848	36.853
+O	-0.4069350974	-0.1778894533	-2.4097059286	-0.431445
+C	 0.0185116561	 0.8494149398	-1.5207301523	-0.075476
+C	-0.2822951664	 0.5002316356	-0.0440875727	-0.223933
+C	-1.7587628435	 0.2669761094	 0.1816084012	-0.029031
+C	-2.2819762685	-0.5577529547	 1.3442494469	-0.349772
+C	-2.3715639268	-1.0796719557	-0.0653782135	 0.10071
+O	-3.5929322583	-1.0793926142	-0.7485236277	-0.433014
+C	 1.4494166115	 1.0678900904	-1.7238005855	 0.349802
+C	 2.6282741698	 1.2622780685	-1.8470154656	-0.442322
+H	-1.3624191926	-0.2608795738	-2.3103003831	 0.301991
+H	-0.5052412015	 1.7914171073	-1.7590960234	 0.095039
+H	 0.2913990053	-0.3940139161	 0.2227986796	 0.110502
+H	 0.0816780806	 1.3178743474	 0.589047976	 0.110004
+H	-2.4051545882	 1.0971619558	-0.0962546056	 0.098316
+H	-1.5676248792	-1.0178320094	 2.019531951	 0.114403
+H	-3.2014680048	-0.219403357	 1.8087511798	 0.11729
+H	-1.6921441059	-1.8864081693	-0.3393287746	 0.100403
+H	-4.1080441936	-1.8351971904	-0.4467330897	 0.289935
+H	 3.6685906736	 1.4347942395	-1.9721803422	 0.196598
+19
+0 1370	3.1230045	0.9298781	0.8221044	2.0967	77.77	-0.24756	0.03049	0.27805	1448.8421	0.154135	-422.48523	-422.475435	-422.474491	-422.521041	34.523
+C	 1.1128217888	-1.2221874976	 7.6776804278	-0.395187
+C	 2.1034797534	-2.0699836334	 8.4762234744	-0.036452
+O	 3.4020917544	-1.5487442318	 8.2050608517	-0.253057
+C	 4.4647263173	-2.3140987518	 8.713829343	 0.07958
+C	 5.8397722406	-1.7410376983	 8.3424512873	-0.097021
+O	 6.2417194712	-2.9877662891	 7.7361385199	-0.27304
+C	 4.9218057851	-3.5473980013	 7.8947439256	-0.094565
+C	 1.7944390303	-2.0616253775	 9.9131549801	 0.348122
+C	 1.5347958231	-2.0490327099	 11.0868387928	-0.492516
+H	 1.1625344858	-0.1820440281	 8.0081145034	 0.139037
+H	 1.3671514393	-1.2688237887	 6.6160413297	 0.127464
+H	 0.094317927	-1.5903561084	 7.8214542465	 0.12874
+H	 2.0489389663	-3.112166302	 8.1207648216	 0.100198
+H	 4.3255414393	-2.5143216474	 9.7819068129	 0.094264
+H	 5.7725789502	-0.9227242701	 7.6147054963	 0.110718
+H	 6.4995690502	-1.449948034	 9.1668866946	 0.106218
+H	 4.3960293462	-3.6513979194	 6.9357325206	 0.099779
+H	 4.9457078266	-4.5147530122	 8.4093278524	 0.103747
+H	 1.3044528749	-2.040002619	 12.1238314995	 0.203973
+19
+0 1371	3.9053758	0.8055445	0.7663032	0.8639	78.24	-0.24331	0.03394	0.27725	1537.1961	0.154837	-422.500585	-422.490773	-422.489828	-422.536226	34.86
+O	 2.0785448083	 3.2344468825	-1.0302160226	-0.423913
+C	 2.989940884	 2.2437957773	-1.5053065652	-0.070984
+C	 2.1440152266	 1.0680995888	-2.0143451156	-0.202475
+C	 1.3541279093	 0.418354821	-0.8907580471	 0.153082
+C	 0.6905676808	-0.9477482208	-1.1761091343	-0.306518
+C	 1.5912543394	-1.4632455796	-0.036134813	-0.057018
+O	 2.2243244792	-0.1753575199	 0.1099911554	-0.29895
+C	 3.8710844684	 2.7788951669	-2.5475575253	 0.308759
+C	 4.5961391648	 3.2393493742	-3.3889149767	-0.451493
+H	 2.5949132431	 3.9854227397	-0.7205999794	 0.289625
+H	 3.6114966776	 1.869419346	-0.6774542824	 0.119003
+H	 1.4581687827	 1.4363526247	-2.7860527789	 0.114619
+H	 2.8082407016	 0.3283258433	-2.4728326342	 0.107673
+H	 0.688716218	 1.1564440637	-0.4288376099	 0.095948
+H	-0.3846290946	-1.0025483679	-1.0012420468	 0.111712
+H	 0.9157938893	-1.360326162	-2.1619960216	 0.108785
+H	 1.061488845	-1.7618551702	 0.8773604412	 0.101505
+H	 2.3108770656	-2.2480761943	-0.297860257	 0.103098
+H	 5.236980471	 3.6428245268	-4.1335693965	 0.197542
+19
+0 1372	3.983376	0.7645648	0.7262721	2.355	77.7	-0.24314	0.02766	0.2708	1579.9575	0.154807	-422.495135	-422.485261	-422.484317	-422.531318	34.703
+O	-2.630367002	 2.5481551969	 0.9273432448	-0.423017
+C	-2.3618593685	 2.2611973831	-0.4438014874	-0.062274
+C	-0.8457358358	 2.4046305406	-0.646070348	-0.210173
+C	-0.0439374475	 1.4427434054	 0.2218316349	-0.030427
+C	 1.4785081092	 1.379745683	-0.037946546	-0.096851
+O	 1.4119808189	-0.0174178105	-0.3884146802	-0.271634
+C	-0.0161764383	-0.0467382893	-0.197799096	-0.079039
+C	-3.1188704863	 3.1419789337	-1.3377134526	 0.302503
+C	-3.7610818995	 3.8618386045	-2.0551175722	-0.445643
+H	-3.5856397882	 2.5813132269	 1.0411705243	 0.290843
+H	-2.6460724085	 1.2195248447	-0.6716117722	 0.098471
+H	-0.620098694	 2.2369864464	-1.7055322659	 0.112002
+H	-0.5714616876	 3.4400000815	-0.414144672	 0.118091
+H	-0.3020230483	 1.5899339145	 1.2710912275	 0.103612
+H	 1.8357980823	 1.9963022631	-0.8743839155	 0.096135
+H	 2.1243208415	 1.5553282017	 0.8311441879	 0.100802
+H	-0.548685716	-0.2825510379	-1.1304686995	 0.09263
+H	-0.3129094736	-0.771891526	 0.5696840397	 0.102373
+H	-4.3238881477	 4.4981513574	-2.6928156516	 0.201595
+19
+0 1373	2.6133171	0.9536236	0.7329237	2.5219	78.65	-0.25222	-0.02153	0.23069	1516.7867	0.152438	-422.538264	-422.527535	-422.526591	-422.574652	37.71
+C	-0.8432522314	 3.944093832	 1.2064593426	-0.392514
+C	-0.9395613683	 2.5064624193	 0.659009451	-0.181163
+C	-1.6372244759	 2.4781810603	-0.6240366674	 0.325697
+C	-2.1900436164	 2.4770529564	-1.6921223511	-0.468189
+C	 0.4683817569	 1.8571400507	 0.5453091522	 0.120608
+O	 1.1687878111	 1.9358596824	 1.7789848463	-0.422683
+C	 0.4176041268	 0.4093626935	 0.04171302	-0.316619
+C	 1.8060312084	-0.1820764109	-0.0637469432	 0.168822
+O	 2.1462616939	-1.2246091179	 0.4313509088	-0.242022
+H	-0.299552406	 3.9441351185	 2.1527434538	 0.133418
+H	-0.3104341985	 4.5873627569	 0.4996919385	 0.1267
+H	-1.8401194298	 4.3633889718	 1.3616280936	 0.124898
+H	-1.513088652	 1.9004106388	 1.3769398755	 0.098931
+H	-2.6909764941	 2.4719417391	-2.6286360922	 0.200317
+H	 1.0610173002	 2.461964912	-0.1524170416	 0.104615
+H	 0.8044338568	 1.273151379	 2.3773656674	 0.287714
+H	-0.1841000008	-0.2212188197	 0.7072849578	 0.111668
+H	-0.0476632196	 0.3914737457	-0.9518921955	 0.143336
+H	 2.5201668587	 0.4323326321	-0.6595664465	 0.076466
+19
+0 1374	2.3495003	1.0581953	0.9497772	2.7906	77.72	-0.2542	-0.02162	0.23257999999999998	1343.006	0.152533	-422.536214	-422.525601	-422.524657	-422.572039	37.609
+C	 2.5970722374	 1.6372041473	-1.7963266337	-0.429508
+C	 3.1580440623	 1.291233671	-0.4124074072	 0.027503
+C	 4.690693234	 1.2340819989	-0.4366372932	-0.31052
+C	 5.3605443195	 1.2942357616	 0.9147919897	 0.153534
+O	 4.7857883458	 1.3596521902	 1.9732663258	-0.241493
+C	 2.592095734	-0.053282082	 0.1243758495	-0.063185
+O	 2.9806676284	-1.1573701123	-0.6966572008	-0.428178
+C	 1.1394951413	-0.002892962	 0.3016217499	 0.296077
+C	-0.0573314457	 0.0339484772	 0.4125925708	-0.441411
+H	 2.9109894226	 0.9018138573	-2.5459248746	 0.112668
+H	 1.5040163447	 1.666543435	-1.7808279481	 0.131443
+H	 2.9566906981	 2.6158550107	-2.1281303801	 0.117192
+H	 2.8518007006	 2.06093165	 0.3048367512	 0.102779
+H	 5.0310872784	 0.3169650565	-0.938099549	 0.144922
+H	 5.1077942101	 2.059128056	-1.0323223791	 0.1172
+H	 6.4739770371	 1.2800617668	 0.8745562131	 0.081762
+H	 3.0551658937	-0.2415415485	 1.0977895081	 0.139669
+H	 2.368365546	-1.1997035034	-1.4386695187	 0.289118
+H	-1.1125263783	 0.0591382997	 0.5320028765	 0.200426
+19
+0 1375	2.130223	1.1273407	1.09248	1.6818	77.55	-0.26477	0.00714	0.27191	1281.5994	0.153511	-422.558826	-422.548417	-422.547473	-422.59458	36.775
+C	 2.3482996584	 0.8911230203	-2.3370030249	-0.412224
+C	 2.950508111	-0.1259613519	-1.382228422	 0.133056
+O	 2.4339370159	-1.4194622918	-1.7947540508	-0.213181
+C	 3.1716838377	-2.4936764587	-1.4930989015	 0.180181
+O	 4.2180375441	-2.5002470194	-0.9012252563	-0.310065
+C	 2.629488925	 0.1028353348	 0.1163294012	-0.171323
+C	 3.3219472805	 1.3725270771	 0.6535623209	-0.406901
+C	 1.1911671424	 0.1289023039	 0.3743160036	 0.348165
+C	 0.0100898157	 0.1715842624	 0.5944402149	-0.486703
+H	 2.5943163579	 0.6268801905	-3.368485065	 0.127182
+H	 1.2610737813	 0.9224771937	-2.2313737162	 0.14445
+H	 2.7483948058	 1.8881386305	-2.1360972637	 0.125656
+H	 4.0393805335	-0.1608920183	-1.4795023915	 0.110218
+H	 2.6640747545	-3.3895998189	-1.8830124347	 0.112494
+H	 3.0601899599	-0.754893687	 0.6459643409	 0.132753
+H	 3.176402851	 1.4497900062	 1.7334943996	 0.134241
+H	 4.39730537	 1.3334085035	 0.4538140916	 0.123526
+H	 2.912357181	 2.2766547445	 0.1962225741	 0.130459
+H	-1.0327263455	 0.1955110587	 0.7935114796	 0.198015
+19
+0 1376	3.3919138	0.7519853	0.6563268	2.6303	78.92	-0.25918	-0.03146	0.22772000000000003	1687.9617	0.152809	-422.549781	-422.53915	-422.538206	-422.586379	37.322
+C	 5.2924851221	 1.9671515341	 3.0969280937	-0.482309
+C	 5.434248916	 2.0155689258	 1.5943042718	 0.364731
+O	 6.0897393607	 2.8660645527	 1.0292785474	-0.317196
+C	 4.7234230822	 0.9538215655	 0.7481715551	 0.030917
+O	 5.0236253777	 1.1533439019	-0.6064633877	-0.436907
+C	 3.2010200389	 0.9693972085	 0.9801421576	-0.203036
+C	 2.4890896924	-0.0642380034	 0.0851109176	-0.352601
+C	 1.044159134	-0.0636297574	 0.2717130765	 0.287774
+C	-0.1449043292	-0.0421259328	 0.4470842956	-0.433945
+H	 5.3340283367	 0.9399442603	 3.4707386695	 0.141586
+H	 6.073875045	 2.5714760052	 3.5594473775	 0.152047
+H	 4.3175121119	 2.3774991475	 3.3845067975	 0.160083
+H	 5.1120255879	-0.0281312727	 1.0754001043	 0.087245
+H	 5.5843413665	 1.9472450005	-0.6257548848	 0.293908
+H	 2.9775034481	 0.7571329713	 2.030892134	 0.108934
+H	 2.813329555	 1.9689795245	 0.754305568	 0.119755
+H	 2.7372070505	 0.150461386	-0.959463351	 0.158606
+H	 2.8872513024	-1.0656350518	 0.2970461655	 0.126864
+H	-1.1971887988	-0.0339010957	 0.5874943821	 0.193546
+19
+0 1377	3.2358996	0.8525614	0.7005019	2.3797	78.87	-0.2452	-0.0165	0.22870000000000001	1582.6591	0.151525	-422.526495	-422.515549	-422.514605	-422.564043	37.636
+C	 1.5453050135	 0.1877303079	-3.1630209931	-0.406691
+C	 0.6685821618	 0.9834096522	-2.1949625627	 0.046352
+O	 0.0511842235	 0.1857253598	-1.1974868646	-0.259282
+C	-1.0202546238	-0.6147299308	-1.6660607261	-0.216332
+C	-1.7056764838	-1.2259412516	-0.5349925317	 0.280355
+C	-2.2866408464	-1.7434749289	 0.3794491945	-0.41112
+C	 1.4734978024	 2.0925444496	-1.4893315844	 0.362748
+C	 1.1434253223	 2.3804152634	-0.0429625353	-0.469437
+O	 2.3080468506	 2.7111658458	-2.1078831339	-0.30313
+H	 2.2530569882	-0.4323242471	-2.6046621371	 0.129783
+H	 0.9482690215	-0.4596938991	-3.8104564775	 0.115358
+H	 2.1084485815	 0.8842732291	-3.7866491716	 0.150197
+H	-0.1132954631	 1.5154625556	-2.7693712688	 0.094343
+H	-1.7312901935	 0.0013747649	-2.2428117326	 0.120156
+H	-0.6597376436	-1.4028490882	-2.3445373908	 0.128839
+H	-2.7976704506	-2.198491333	 1.1917325166	 0.203588
+H	 1.3494450097	 1.4969854163	 0.5688400045	 0.157447
+H	 1.734540352	 3.2300353372	 0.3000277939	 0.133989
+H	 0.0741800975	 2.5842691168	 0.0733159106	 0.142837
+19
+0 1378	3.2627848	0.847663	0.7020862	1.4243	78.53	-0.25734	0.02848	0.28582	1580.3041	0.153074	-422.482392	-422.472232	-422.471288	-422.518416	35.701
+C	 1.1679318806	 0.9169880342	-3.0454317973	-0.409183
+C	 0.1764845248	 0.2373028742	-2.1100189105	 0.11179
+O	 0.7311419555	 0.3017704943	-0.8020176654	-0.255805
+C	 0.0925313284	-0.536392589	 0.1464980007	-0.223033
+C	 0.8472552717	-0.5283719426	 1.3927503259	 0.289072
+C	 1.4476748967	-0.5368910803	 2.432504932	-0.413652
+C	-1.1824149235	 0.9159077826	-2.1630993338	 0.077913
+C	-2.4464000278	 0.1661660194	-2.1451575323	-0.180826
+O	-1.9284085194	 0.7030315985	-3.3619653404	-0.235801
+H	 1.3263037148	 1.9559732297	-2.740159623	 0.126818
+H	 2.1303440671	 0.4004540702	-3.0169374506	 0.125858
+H	 0.7837751435	 0.9051453921	-4.0685281405	 0.135883
+H	 0.0445179031	-0.8156056676	-2.4119758859	 0.070777
+H	-0.9388223332	-0.2048206483	 0.3417098728	 0.124349
+H	 0.0259923038	-1.5681425145	-0.2391826917	 0.117186
+H	 1.9845023191	-0.5417263154	 3.3487941566	 0.201429
+H	-1.1855143205	 1.9459672413	-1.8011009242	 0.101777
+H	-2.4254084695	-0.9207770326	-2.0711142397	 0.115184
+H	-3.353069985	 0.6403386936	-1.7721728827	 0.120263
+19
+0 1379	4.4643404	0.6755171	0.6134416	1.702	78.05	-0.25725	0.05577	0.31301999999999996	1771.4991	0.154081	-422.502391	-422.492344	-422.4914	-422.538332	35.775
+O	 0.1540771012	 2.5229114118	-0.9378302435	-0.441599
+C	-1.2355321855	 2.2729861358	-1.1092022723	 0.101232
+C	-1.6433707693	 1.2097612153	-0.0938359732	-0.184851
+C	-0.8614557975	-0.1057383831	-0.2814165096	-0.362232
+C	-1.2468275455	-1.1297270251	 0.6810184679	 0.291756
+C	-1.5841936888	-1.9568233082	 1.4854964788	-0.436613
+C	-2.0103904166	 3.5593136055	-0.9299955801	 0.057326
+C	-3.0962348721	 3.9490307888	-1.8351880088	-0.180802
+O	-1.7954912767	 4.528169181	-1.965933125	-0.249516
+H	 0.3884440596	 3.2356686203	-1.5432040796	 0.29643
+H	-1.4302112648	 1.9004309063	-2.1296332859	 0.066636
+H	-1.466845747	 1.5926620188	 0.917350786	 0.118824
+H	-2.7177440836	 1.0182610045	-0.1861402358	 0.110832
+H	-1.0211168477	-0.4826432711	-1.3005364687	 0.125159
+H	 0.2094716149	 0.1063955883	-0.1980653815	 0.155322
+H	-1.8702792236	-2.6962838057	 2.1914055453	 0.192079
+H	-1.9905333681	 3.9769891226	 0.0777115763	 0.101527
+H	-3.391093877	 3.278850418	-2.6416110811	 0.116956
+H	-3.8747177519	 4.6244815062	-1.4848061493	 0.121534
+19
+0 1380	2.2994998	0.8530331	0.6528474	3.1488	79.5	-0.2438	-0.01987	0.22393	1685.1177	0.151888	-422.517738	-422.506911	-422.505967	-422.555441	36.895
+C	-1.6666334571	 2.8495974088	-2.069129472	-0.405168
+C	-1.132940516	 2.1612515364	-0.8111158314	 0.137119
+C	-0.4686700901	 0.8170879758	-1.1361557773	-0.285606
+C	 0.2134569311	 0.1911514035	 0.0626865307	 0.149519
+O	 1.3158859711	-0.2947514531	 0.0356606363	-0.243391
+O	-2.1689151934	 1.8630742912	 0.1217484551	-0.260222
+C	-2.6361804463	 2.976566651	 0.8640074633	-0.219911
+C	-3.5538684708	 2.5217507371	 1.9000694614	 0.283635
+C	-4.3144097188	 2.172994225	 2.7611264562	-0.412427
+H	-2.4081740195	 2.2135892229	-2.5623200283	 0.130535
+H	-2.1369049198	 3.8088965142	-1.8349162019	 0.122366
+H	-0.8511960231	 3.0448137178	-2.7722060046	 0.124942
+H	-0.3942301161	 2.8223186393	-0.3256700384	 0.077312
+H	-1.2585007738	 0.1304597802	-1.4718728342	 0.134048
+H	 0.2625875056	 0.9192628169	-1.9421266169	 0.120021
+H	-0.3897667975	 0.2083334256	 0.9949860324	 0.096293
+H	-1.7889375167	 3.5101416609	 1.3269716485	 0.122015
+H	-3.1512530287	 3.7014738301	 0.2149340627	 0.125079
+H	-4.9852133802	 1.8589381164	 3.5222732083	 0.203841
+19
+0 1381	2.6968877	0.811216	0.6735528	2.0298	78.59	-0.26466	0.00778	0.27244	1656.089	0.153862	-422.556172	-422.545783	-422.544839	-422.592719	36.165
+C	-1.5800207243	 2.5259769871	-1.8594747785	-0.402874
+C	-1.1056328337	 1.8108894789	-0.6029793339	 0.122666
+C	-2.1886511038	 1.582655254	 0.455055215	-0.194607
+C	-2.7039328417	 2.8929564186	 1.0864021192	-0.368363
+C	-3.6738006249	 2.6524801723	 2.147646232	 0.291434
+C	-4.4734662199	 2.4298663753	 3.0166209537	-0.426207
+O	-0.6171272546	 0.5118513891	-1.0458510674	-0.221246
+C	 0.3686050459	-0.044327395	-0.3308955371	 0.179214
+O	 0.8934336513	 0.4164552427	 0.6465350172	-0.308082
+H	-2.4184662218	 1.9925629887	-2.3181293434	 0.129809
+H	-1.9025831511	 3.5443830189	-1.6269981786	 0.127563
+H	-0.7697567849	 2.5873069563	-2.5905596934	 0.129654
+H	-0.2613234177	 2.3397455004	-0.1501939751	 0.113007
+H	-3.0246802791	 1.0340420778	 0.0077322537	 0.115564
+H	-1.7715737202	 0.9548134184	 1.2469852838	 0.135055
+H	-1.8553448462	 3.461215345	 1.4901471262	 0.137972
+H	-3.162028982	 3.5296975761	 0.3199571091	 0.13336
+H	-5.1783070298	 2.2446577528	 3.7887123549	 0.195888
+H	 0.6329652786	-1.0095792673	-0.7908535274	 0.110194
+19
+0 1382	2.5425481	0.8132196	0.6606881	2.9643	78.24	-0.25361	-0.02871	0.2249	1674.6258	0.152716	-422.535834	-422.525225	-422.524281	-422.572457	37.082
+O	-1.4496851684	 2.7722075566	 1.7639971769	-0.434871
+C	-1.0860602883	 1.9368477518	 0.6664862591	 0.133406
+C	-2.2598872495	 1.7102696462	-0.2904721214	-0.205718
+C	-2.8206879314	 3.033329012	-0.848305168	-0.35484
+C	-4.0032744597	 2.8413286833	-1.6773951721	 0.291693
+C	-4.9803656581	 2.6557672836	-2.3527059221	-0.439862
+C	-0.4747859807	 0.6239074494	 1.172031493	-0.336391
+C	 0.3285731858	-0.1518500275	 0.1542547479	 0.161111
+O	 0.5044713338	 0.1851846963	-0.9896087483	-0.236943
+H	-2.1751353572	 2.3448717524	 2.2337944955	 0.278272
+H	-0.3035537053	 2.4955074203	 0.1412866855	 0.107832
+H	-1.9323770493	 1.0713167867	-1.1150566084	 0.136529
+H	-3.0592897254	 1.1710420534	 0.2371885089	 0.09273
+H	-3.0524301811	 3.7023272844	-0.0119123565	 0.139096
+H	-2.0399584308	 3.5374109392	-1.4328091985	 0.134329
+H	-5.8420929778	 2.5069043384	-2.9545228178	 0.19201
+H	 0.1921049472	 0.8378846047	 2.019305207	 0.137472
+H	-1.2462327035	-0.0511102803	 1.5749466872	 0.117474
+H	 0.7805335697	-1.0912726508	 0.5466611022	 0.086672
+19
+0 1383	3.870893	0.68763	0.6189901	1.2732	78.68	-0.24533	-0.00989	0.23543999999999998	1789.2056	0.152208	-422.54398	-422.533005	-422.532061	-422.581661	37.896
+C	 6.2741773846	 2.7457935652	 2.1947191811	-0.473223
+C	 4.7976392612	 2.5726939754	 1.8830376353	 0.372667
+O	 3.9788015038	 3.4116779881	 2.1825970918	-0.292255
+C	 4.4107630271	 1.2787973858	 1.1791240079	-0.30885
+C	 2.9506359973	 1.2335049505	 0.7354616951	-0.188042
+C	 2.5390087429	-0.1693411568	 0.250632283	-0.070847
+O	 2.7525041885	-1.161083149	 1.2560413658	-0.417253
+C	 1.1535798823	-0.1786271588	-0.2267384293	 0.294347
+C	 0.0024693072	-0.1733026428	-0.5732478956	-0.432237
+H	 6.8419793795	 2.8445144947	 1.2620428946	 0.140609
+H	 6.4235548154	 3.6382720899	 2.8034501385	 0.142472
+H	 6.669394035	 1.8662694386	 2.7142607242	 0.136485
+H	 5.0926597205	 1.1216299619	 0.3319662508	 0.113383
+H	 4.6141153169	 0.4470493271	 1.8669628886	 0.140953
+H	 2.3034782517	 1.5317044966	 1.5666849738	 0.120351
+H	 2.7683934005	 1.957523461	-0.0653882669	 0.118108
+H	 3.1993997695	-0.4699351272	-0.5731425046	 0.115734
+H	 2.0521424152	-1.0600751818	 1.910744537	 0.286914
+H	-1.0097684892	-0.1772588082	-0.8951251011	 0.200685
+19
+0 1384	2.8314076	0.8837966	0.7339341	1.6991	78.26	-0.26599	0.01634	0.28233	1583.4788	0.152936	-422.563578	-422.55272	-422.551776	-422.601291	37.086
+C	 0.0162390891	-4.8959862427	-0.2821044555	-0.396622
+C	-0.7511930766	-3.5779384829	-0.0547445257	-0.173506
+C	 0.2071836298	-2.3863376987	-0.1556189301	-0.051671
+O	-0.5736548228	-1.1848091304	-0.1038217881	-0.238276
+C	 0.1269204404	-0.0296204774	-0.0760473356	 0.42971
+C	-0.8050148782	 1.1548464993	 0.0036063588	-0.478942
+O	 1.330135837	 0.0191911014	-0.1094727715	-0.349291
+C	-1.4556338388	-3.5903100974	 1.2264534998	 0.347137
+C	-2.0147524347	-3.62514851	 2.2896932824	-0.485941
+H	 0.7868691847	-5.0334676772	 0.4820798338	 0.132745
+H	-0.6650288215	-5.748008138	-0.2309246796	 0.133459
+H	 0.4979895631	-4.8946848507	-1.2647212283	 0.119535
+H	-1.4939811933	-3.4646466152	-0.8555805944	 0.116408
+H	 0.9333402582	-2.3895884229	 0.6622696015	 0.129963
+H	 0.7600216185	-2.4198583919	-1.1002991626	 0.117045
+H	-1.3998042901	 1.0988841643	 0.9198050041	 0.153827
+H	-0.2231853625	 2.075559546	-0.0066689243	 0.147689
+H	-1.5035041271	 1.1421812891	-0.8376510375	 0.148802
+H	-2.5182042454	-3.6474623949	 3.224327323	 0.197929
+19
+0 1385	2.8410034	0.8540198	0.744215	2.8678	78.69	-0.24468	-0.01166	0.23302	1572.2526	0.151662	-422.530271	-422.519351	-422.518406	-422.567917	37.575
+C	-3.7541863381	-1.0414143734	 1.6625582779	-0.396933
+C	-2.8608678615	-1.3497914307	 0.4608824203	-0.021106
+O	-1.7251133254	-0.4974633752	 0.5584504531	-0.247734
+C	-0.7042935449	-0.7719158499	-0.3763835895	-0.163196
+C	 0.4372621076	 0.2363558142	-0.2488973439	 0.353819
+C	 0.1663233534	 1.4998473242	 0.5350437747	-0.46773
+O	 1.4917924963	 0.0038054039	-0.7913648848	-0.29703
+C	-3.5733214019	-1.168749793	-0.8116714389	 0.342833
+C	-4.1562818811	-1.0131227347	-1.851381596	-0.488704
+H	-4.6312242175	-1.6927851051	 1.660305016	 0.130985
+H	-3.191088424	-1.1994199218	 2.5856094931	 0.127282
+H	-4.0876262163	-0.0017469655	 1.6236017967	 0.137815
+H	-2.526432241	-2.3992785851	 0.5202590286	 0.100086
+H	-0.2894900019	-1.7823598562	-0.2426754841	 0.119387
+H	-1.0852424345	-0.7097465238	-1.4083607107	 0.132896
+H	-0.0937714734	 1.2486287049	 1.5680871919	 0.150537
+H	 1.046851723	 2.1422557164	 0.5073203903	 0.135379
+H	-0.7027935685	 2.0221965614	 0.1213041658	 0.145475
+H	-4.6723718403	-0.8806794504	-2.7704954506	 0.20594
+19
+0 1386	3.4758714	0.7881295	0.6707981	2.139	78.87	-0.26514	0.03378	0.29891999999999996	1664.6676	0.153346	-422.484009	-422.473907	-422.472962	-422.52022	35.498
+C	-0.3365067231	-3.5735039295	 3.6248329412	-0.39486
+C	-1.1173694414	-2.5504946463	 2.7989691409	-0.020838
+O	-0.1718713448	-1.6181530514	 2.2950526853	-0.24882
+C	-0.696958032	-0.7030373145	 1.3515040497	-0.084995
+C	 0.4206534204	 0.192781727	 0.8975264932	 0.085859
+C	 0.3839394193	 0.8486898706	-0.4140195114	-0.182193
+O	 1.2328554875	-0.2739288326	-0.1808930356	-0.228251
+C	-2.16950629	-1.8975850853	 3.5929270436	 0.346669
+C	-3.0251982407	-1.3630653181	 4.2467884845	-0.496274
+H	 0.1573602389	-3.0771982685	 4.4634996798	 0.137103
+H	-1.0093777743	-4.3406680796	 4.0152925229	 0.126667
+H	 0.4223472357	-4.0443154703	 2.9953563092	 0.130022
+H	-1.6011138439	-3.0667692573	 1.9519578166	 0.095807
+H	-1.1173422621	-1.2341703582	 0.4826160841	 0.093719
+H	-1.4984358073	-0.0990510571	 1.8046451432	 0.105575
+H	 0.9774923303	 0.6693408209	 1.7045750509	 0.102853
+H	-0.455921026	 0.6687322956	-1.0847782153	 0.113242
+H	 0.8879426266	 1.8040551605	-0.5520523378	 0.117103
+H	-3.7834902131	-0.8941188759	 4.8241773651	 0.201613
+19
+0 1387	4.1581872	0.6689407	0.599691	1.3762	78.61	-0.26485	0.03052	0.29536999999999997	1807.8916	0.153927	-422.496786	-422.486671	-422.485727	-422.53289	35.85
+O	-1.494837698	-1.9141651925	 4.2424256162	-0.417631
+C	-0.3240380804	-2.4683666446	 3.6420705231	-0.063875
+C	 0.402951803	-1.4468076595	 2.7472416523	-0.186693
+C	-0.5041970451	-0.8906424532	 1.6435440211	-0.221717
+C	 0.1991526407	 0.1393214087	 0.795654155	 0.08884
+C	-0.0163121186	 0.2511698821	-0.651441027	-0.180117
+O	 1.1701008134	-0.3544024554	-0.1343797397	-0.237696
+C	 0.5797183445	-3.0303924125	 4.6493031897	 0.29077
+C	 1.3262442026	-3.4445170542	 5.4958279412	-0.434527
+H	-1.2060563498	-1.3531937643	 4.9710738783	 0.285398
+H	-0.6998461739	-3.2815107671	 3.0077784281	 0.119292
+H	 0.7754896634	-0.6318160767	 3.3820098545	 0.096579
+H	 1.2817185983	-1.9254985419	 2.3018781834	 0.127917
+H	-0.8448395421	-1.7089222373	 0.9974067603	 0.101643
+H	-1.396666494	-0.4454111165	 2.0972650395	 0.11687
+H	 0.5238900225	 1.0376603763	 1.3258379929	 0.088439
+H	-0.7123892626	-0.4284527983	-1.141981284	 0.112546
+H	 0.1253293832	 1.2083105232	-1.151824793	 0.113489
+H	 1.9800034527	-3.8309884263	 6.238413038	 0.200474
+19
+0 1388	4.5297583	0.7291959	0.6906194	2.4275	78.73	-0.25725	0.03524	0.29248999999999997	1656.1515	0.154061	-422.488535	-422.47865	-422.477706	-422.524252	35.712
+O	-0.4685143008	 0.9307437459	-3.7313721344	-0.43155
+C	 0.5604565046	 1.9063860496	-3.6776087005	-0.061716
+C	 1.4281510052	 1.6899309202	-2.4304376179	-0.086771
+O	 0.5373493081	 1.7348542491	-1.3258707936	-0.26865
+C	 1.1308407657	 1.3960110809	-0.1081511826	 0.14805
+C	 0.2325391396	 0.8119658144	 0.9310766154	-0.288048
+C	 1.2778120853	-0.057845693	 0.2588006896	-0.287533
+C	 1.3724220301	 1.8323791147	-4.8886287386	 0.34002
+C	 2.0705641124	 1.7898570086	-5.8647862158	-0.451723
+H	-0.8275088358	 0.9021607981	-2.8350144967	 0.290779
+H	 0.1233285626	 2.9166747795	-3.6057162148	 0.102349
+H	 1.9246645787	 0.7123429493	-2.490292418	 0.112609
+H	 2.1950321362	 2.4737546761	-2.3529667735	 0.103969
+H	 1.9124815124	 2.0868480696	 0.2079838348	 0.090451
+H	 0.3767542275	 1.1075635352	 1.9638623395	 0.119332
+H	-0.8005863619	 0.6533043665	 0.6437423674	 0.124639
+H	 2.1482726336	-0.3685515883	 0.8257007047	 0.118079
+H	 0.9208317418	-0.7836647651	-0.4634153838	 0.125083
+H	 2.6746496749	 1.7517466786	-6.7375076512	 0.200631
+19
+0 1389	2.1818022	0.9084726	0.6690742	2.974	78.36	-0.25548	-0.02733	0.22815	1645.7361	0.151639	-422.521089	-422.510211	-422.509267	-422.558756	37.04
+C	 4.8515766521	 1.0689576568	-0.6188197165	-0.407894
+C	 3.3341713835	 1.139617056	-0.7961572068	 0.144992
+C	 2.6208368614	 0.0065261456	-0.0381816517	-0.36524
+C	 1.1691313217	 0.131429318	-0.0514269964	 0.304403
+C	-0.0264167413	 0.2513206892	-0.0500531568	-0.439926
+O	 2.9560655987	 1.003881471	-2.1596703456	-0.254246
+C	 3.1060349217	 2.1526487965	-2.9518556675	-0.153728
+C	 2.3727308296	 1.9174711756	-4.262835362	 0.141848
+O	 2.4637055951	 2.6436761689	-5.2161707734	-0.238251
+H	 5.1230874578	 1.1792729554	 0.435626987	 0.121556
+H	 5.2340391352	 0.1087754648	-0.9793668551	 0.128489
+H	 5.3522247217	 1.8667115947	-1.1745438204	 0.122986
+H	 2.9627559578	 2.1040527245	-0.4152522809	 0.081943
+H	 2.920899305	-0.9465007696	-0.4916124671	 0.139522
+H	 2.9830842979	-0.0078541236	 0.9967661881	 0.130309
+H	-1.0837602392	 0.3476448548	-0.0526171725	 0.196224
+H	 2.6615559852	 3.0403746116	-2.4684661566	 0.123334
+H	 4.1563387735	 2.3958272091	-3.1731889283	 0.123244
+H	 1.7291056927	 1.0109370306	-4.2529086374	 0.100436
+19
+0 1390	3.8791883	0.7171576	0.6314062	1.4516	78.99	-0.26492	0.00515	0.27007	1723.0865	0.153859	-422.554937	-422.544551	-422.543607	-422.591593	36.087
+C	-2.5715217101	 2.4386848629	 1.0713398888	-0.405463
+C	-1.8479660502	 1.4823038762	 0.1169191817	-0.000702
+C	-0.4700756536	 1.1417147869	 0.6714201326	-0.070033
+O	 0.1289641264	 0.1378041458	-0.1779553046	-0.211968
+C	 1.3642100455	-0.2546094055	 0.1599047988	 0.182435
+O	 2.0028255246	 0.1504612542	 1.0915270783	-0.298788
+C	-1.7307913231	 2.0683782322	-1.3117399851	-0.354903
+C	-3.0204894106	 2.2825090073	-1.955378783	 0.29923
+C	-4.0940602102	 2.4450544927	-2.4715088114	-0.441881
+H	-2.7016090163	 1.9889584104	 2.0606108312	 0.11853
+H	-2.0089765125	 3.3713451084	 1.1972643209	 0.11796
+H	-3.5587173339	 2.6935893537	 0.6788330186	 0.139627
+H	-2.4207107728	 0.5496202579	 0.0479688543	 0.099891
+H	 0.1853379642	 2.0195623316	 0.6999522958	 0.123654
+H	-0.5376140203	 0.7460284908	 1.6894157675	 0.125189
+H	 1.7026720507	-1.0158850928	-0.560096709	 0.11207
+H	-1.1815860621	 3.0193678175	-1.2643802282	 0.125919
+H	-1.125446488	 1.3914464986	-1.924304135	 0.143585
+H	-5.0354194977	 2.5933379012	-2.9397067521	 0.195649
+19
+0 1391	2.4358746	0.7667977	0.6089317	3.5846	78.76	-0.24588	-0.01619	0.22968999999999998	1767.4928	0.152896	-422.536845	-422.526195	-422.525251	-422.573848	36.993
+O	 4.5751368589	 0.5215359307	-1.1993874226	-0.424949
+C	 3.1584249339	 0.638702749	-1.1858837617	 0.103701
+C	 2.6493133164	 0.014826683	-2.4833254677	-0.190301
+C	 3.1444270039	 0.7647016259	-3.7303779028	-0.276002
+C	 2.819573357	 0.023526188	-5.0045150313	 0.157056
+O	 2.2374240826	 0.4882889709	-5.9504776531	-0.240135
+C	 2.5837468694	-0.0650581828	 0.067838643	-0.374689
+C	 1.1433111508	 0.091819359	 0.2137126143	 0.298748
+C	-0.0448587306	 0.2474277541	 0.3094950558	-0.445716
+H	 4.9351263527	 1.0677527151	-0.4938134922	 0.287795
+H	 2.8582134064	 1.6974560673	-1.1549631253	 0.083862
+H	 2.9938965385	-1.0273442019	-2.5159750451	 0.108436
+H	 1.5554660779	-0.0049383696	-2.4588645966	 0.12868
+H	 2.7220788148	 1.7720520566	-3.7933861785	 0.116846
+H	 4.2372667445	 0.8512452946	-3.66366158	 0.138514
+H	 3.1726503787	-1.0357362261	-5.0160478566	 0.068801
+H	 2.853514236	-1.1274785044	 0.0224616461	 0.138706
+H	 3.0870871112	 0.3431432622	 0.9544763443	 0.119951
+H	-1.095094553	 0.373864128	 0.4027779999	 0.200696
+19
+0 1392	3.7616693	0.6710326	0.5952296	2.9338	79.41	-0.24566	-0.02091	0.22474999999999998	1837.169	0.15213	-422.515481	-422.504622	-422.503678	-422.552954	36.682
+C	 1.2554947447	-3.6796144038	 0.27889085	-0.402713
+C	 1.454651602	-2.2542311365	-0.2352986036	-0.0973
+C	 1.9511172307	-1.302489455	 0.8608246054	-0.056399
+O	 1.8991319802	 0.0198712143	 0.364514654	-0.249752
+C	 2.3912591873	 0.9707773343	 1.2913723758	-0.208136
+C	 2.3052165299	 2.308931676	 0.7235583496	 0.277553
+C	 2.2457253433	 3.4222807261	 0.2783388861	-0.408945
+C	 2.3863489263	-2.2000065357	-1.4371099205	 0.152651
+O	 2.8147815327	-3.171412072	-2.0080867347	-0.24657
+H	 0.4911066544	-3.7105133292	 1.0605935216	 0.113202
+H	 0.9522007351	-4.3398458544	-0.5357089158	 0.13957
+H	 2.1864200275	-4.0820885222	 0.6906835289	 0.126824
+H	 0.4969052172	-1.8381286288	-0.5839697387	 0.113917
+H	 1.3172865191	-1.4054919247	 1.7569653582	 0.098207
+H	 2.9808472844	-1.5646249241	 1.1602671591	 0.097824
+H	 1.8120668178	 0.9259808218	 2.2294131951	 0.121856
+H	 3.4381563324	 0.7441306886	 1.5555410202	 0.123337
+H	 2.1909167209	 4.4050026791	-0.1207744925	 0.204123
+H	 2.6525717338	-1.1733170538	-1.7641651181	 0.10075
+19
+0 1393	3.5874833	0.6618492	0.5813165	1.6973	79.28	-0.24811	-0.03359	0.21452	1868.7466	0.15217	-422.52239	-422.511592	-422.510647	-422.55976	36.856
+C	 6.3747919478	-0.7276202401	-2.716717657	-0.411561
+C	 4.8472198904	-0.683153108	-2.775915413	 0.053173
+O	 4.3801182291	-0.1849150369	-1.5378168302	-0.253493
+C	 2.9934101337	-0.3775326075	-1.3245526547	-0.065387
+C	 2.657690007	 0.2080739213	 0.050566211	-0.349588
+C	 1.2493540208	 0.0494244316	 0.385385497	 0.284515
+C	 0.0829531547	-0.0955880002	 0.6349326106	-0.443015
+C	 4.4187030742	 0.2346223093	-3.9201696389	 0.135468
+O	 4.2608062836	-0.1208270918	-5.0576477871	-0.237384
+H	 6.6902436229	-1.3628726774	-1.8854686837	 0.134499
+H	 6.7772067307	-1.1280804551	-3.6503399116	 0.13947
+H	 6.7816300809	 0.2755522569	-2.556210467	 0.132024
+H	 4.4489368879	-1.6894884343	-2.9752319148	 0.093313
+H	 2.3933714299	 0.1207051045	-2.1011518155	 0.110167
+H	 2.7432915479	-1.448767193	-1.3531473836	 0.109871
+H	 3.2874054738	-0.2833582911	 0.8016230228	 0.14246
+H	 2.9349073296	 1.2688289908	 0.0575800115	 0.1415
+H	-0.9458527535	-0.2168729091	 0.8679839032	 0.199363
+H	 4.2988523985	 1.2983215599	-3.6047167189	 0.084605
+19
+0 1394	4.2153401	0.5906704	0.5336528	2.2642	78.83	-0.25605	-0.03112	0.22493	1980.5529	0.152518	-422.53311	-422.522255	-422.521311	-422.570374	37.254
+O	 4.7399491971	-0.4077161709	-3.8757110397	-0.435822
+C	 5.0633257271	-1.260395333	-2.7891988404	 0.006636
+C	 4.628902498	-0.7185992845	-1.4229677236	-0.186396
+C	 3.1095115335	-0.6486097341	-1.2573199082	-0.200828
+C	 2.6933887191	-0.1156777429	 0.1288750827	-0.355303
+C	 1.2474159525	-0.0366696742	 0.2950312347	 0.289345
+C	 0.0514813852	 0.01811473	 0.4022983956	-0.43315
+C	 6.5727780421	-1.4679755294	-2.8568217542	 0.157816
+O	 7.232555872	-1.912280353	-1.9547051906	-0.24703
+H	 3.7876619751	-0.4217014236	-4.0050503694	 0.295837
+H	 4.617621876	-2.2619735941	-2.9344884044	 0.09759
+H	 5.0723074106	-1.365284026	-0.6575009	 0.123923
+H	 5.0677305717	 0.2785180874	-1.2929332962	 0.109834
+H	 2.6730557185	 0.0050827995	-2.0223154704	 0.103308
+H	 2.6681433359	-1.6423917842	-1.4025761837	 0.111237
+H	 3.1185165989	-0.7609782932	 0.9086014649	 0.135209
+H	 3.1352586901	 0.8772205881	 0.2844174244	 0.134304
+H	-1.0031279348	 0.0717945827	 0.5125157409	 0.195507
+H	 7.0137059115	-1.1796890546	-3.8359384425	 0.097985
+19
+0 1395	2.6879695	0.8493271	0.741352	2.0946	77.85	-0.26615	0.00985	0.276	1575.6335	0.154231	-422.552869	-422.542527	-422.541583	-422.589519	35.929
+C	-2.4806745104	 4.5919339227	 2.6240019741	-0.390762
+C	-2.1104068017	 3.9946913241	 1.2516087747	-0.15253
+C	-1.6353090026	 2.5311276875	 1.3972267912	-0.194899
+C	-1.3327957589	 1.8711562428	 0.0562220057	-0.083089
+O	-1.0971531714	 0.4531112041	 0.2159937668	-0.20615
+C	 0.1536068998	 0.0836170302	 0.5222899477	 0.182204
+O	 1.0943547815	 0.8109995515	 0.6866101295	-0.304598
+C	-1.1122581161	 4.8233397282	 0.5747209487	 0.344794
+C	-0.2837063306	 5.5068694218	 0.0344448341	-0.486266
+H	-3.2663157773	 3.995386125	 3.0979757621	 0.115696
+H	-1.6095643722	 4.6046041897	 3.285517267	 0.131557
+H	-2.840329784	 5.618239081	 2.5168660767	 0.128292
+H	-3.0185075039	 3.9902492571	 0.6310048793	 0.106271
+H	-0.738273085	 2.4981596408	 2.0233498116	 0.131311
+H	-2.4200024163	 1.960596522	 1.906756386	 0.105834
+H	-2.1914556981	 1.9317230015	-0.617620551	 0.11461
+H	-0.463729704	 2.3302658668	-0.4179029402	 0.148264
+H	 0.1838943204	-1.0147431248	 0.5977292342	 0.109388
+H	 0.4467351608	 6.108068098	-0.4480559883	 0.200074
+19
+0 1396	3.4241751	0.6807145	0.5885669	2.9188	78.95	-0.25685	-0.02814	0.22871000000000002	1848.6708	0.151908	-422.517653	-422.506741	-422.505797	-422.555353	36.834
+C	 3.1965464873	-2.5075350266	-0.2592449757	-0.396912
+C	 1.7991756177	-2.1897369223	-0.8270125114	-0.167364
+C	 1.081193525	-1.1568516654	 0.0526877328	-0.044031
+O	-0.1093197382	-0.7608631711	-0.5906848346	-0.245335
+C	-0.891255917	 0.1278814131	 0.1623102326	-0.144456
+C	-2.1516598823	 0.4355006152	-0.6283756925	 0.139065
+O	-2.9869591284	 1.2214815876	-0.2693568597	-0.237486
+C	 1.0000503774	-3.4044783499	-0.9770157786	 0.347876
+C	 0.3669069109	-4.4210090975	-1.0777914595	-0.486071
+H	 3.1202484232	-2.9380103021	 0.7437781928	 0.129873
+H	 3.7123702491	-3.2295472008	-0.8958841446	 0.134461
+H	 3.8042647153	-1.5991310949	-0.2024796689	 0.11757
+H	 1.9189273736	-1.729971728	-1.8169764187	 0.118285
+H	 0.8623417386	-1.592278991	 1.0409401518	 0.099665
+H	 1.741797289	-0.2877746169	 0.2081130016	 0.090959
+H	-1.1839118307	-0.303141529	 1.1354245721	 0.124111
+H	-0.3641215521	 1.0732017388	 0.375482147	 0.121098
+H	-2.2333943592	-0.1417744086	-1.5752641872	 0.100849
+H	-0.2018507092	-5.3118363006	-1.1799402292	 0.197844
+19
+0 1397	3.499568	0.6616344	0.577027	2.7866	79.58	-0.25395	-0.02563	0.22832000000000002	1874.5103	0.15222	-422.519912	-422.509119	-422.508174	-422.557456	36.696
+C	-2.7686543718	 4.6011296804	 2.5680308775	-0.394689
+C	-2.1385135148	 4.0278153759	 1.2982233585	-0.030295
+O	-1.4851255348	 2.8205685288	 1.6696536251	-0.243251
+C	-1.0102426612	 2.0538407109	 0.5803786965	-0.069244
+C	-0.3884237049	 0.7783589294	 1.1475830482	-0.279644
+C	 0.3509299769	-0.0098567145	 0.0906163114	 0.152787
+O	 0.1579592477	-1.1697835967	-0.1654650415	-0.232737
+C	-1.2154866343	 4.9829188525	 0.6679293632	 0.346977
+C	-0.4578714037	 5.7648135977	 0.1581709595	-0.49326
+H	-3.4571079272	 3.8681698562	 2.9955306551	 0.127432
+H	-1.9912038819	 4.826913362	 3.3016052591	 0.138189
+H	-3.3152937702	 5.519090745	 2.339766359	 0.129282
+H	-2.9372496278	 3.7956026772	 0.5731726408	 0.097238
+H	-1.83805869	 1.807217059	-0.1044531352	 0.101064
+H	-0.2647736836	 2.6228186009	 0.0039782055	 0.107231
+H	 0.3407987492	 1.0781369576	 1.9132410853	 0.13446
+H	-1.1407823623	 0.1405778142	 1.6169653567	 0.129728
+H	 1.1265769476	 0.5748544405	-0.4584654145	 0.074919
+H	 0.2082502472	 6.4577310331	-0.2941893401	 0.203812
+19
+0 1398	5.249121	0.5374883	0.5038033	3.2323	79.76	-0.24945	-0.0212	0.22825	2081.2639	0.152798	-422.531128	-422.520331	-422.519387	-422.568475	37.04
+O	-1.5234833306	 4.8981880975	 0.5004662147	-0.415874
+C	-2.356325804	 4.0654262068	 1.305764217	-0.061533
+C	-1.6084547607	 2.8105905121	 1.7996216175	-0.191679
+C	-1.0466169789	 1.9774039619	 0.6445140793	-0.195642
+C	-0.2410593418	 0.7602845572	 1.1284525956	-0.281333
+C	 0.3895559882	 0.0103648942	-0.0229365395	 0.160674
+O	 0.2496820771	-1.1643486704	-0.2447293061	-0.236625
+C	-2.9384391254	 4.8090144467	 2.4258943369	 0.289193
+C	-3.3660774121	 5.4275250527	 3.3639424736	-0.43376
+H	-0.9479691622	 5.3921511561	 1.095202227	 0.28654
+H	-3.1620997212	 3.7473581977	 0.6316673809	 0.120688
+H	-0.7972001447	 3.1298468206	 2.4672532191	 0.099439
+H	-2.2954348411	 2.2110836923	 2.4083577392	 0.114593
+H	-1.8715563385	 1.6356807921	 0.0059562214	 0.111211
+H	-0.417185308	 2.6199667858	 0.0192027774	 0.121572
+H	 0.57540558	 1.1066197654	 1.77989508	 0.117604
+H	-0.8580277644	 0.0633346092	 1.7035622067	 0.121551
+H	 1.0190132501	 0.647412609	-0.6892639166	 0.070889
+H	-3.764504422	 5.9764530232	 4.1814826158	 0.20249
+19
+0 1399	2.4157086	1.4780975	1.2513344	2.1204	75.52	-0.23981	-0.02688	0.21293	1097.2362	0.153537	-422.546989	-422.537506	-422.536562	-422.581248	34.774
+C	-1.0321574761	-2.0541153946	-1.2201383675	-0.441819
+C	-1.025554273	-1.0969404674	-0.028395023	 0.070915
+C	-0.9819074264	-1.8420937086	 1.3111149239	-0.423123
+C	 0.0498593907	 0.0146308047	-0.122135547	 0.395774
+O	 1.2374225951	-0.0107891409	-0.2672460403	-0.306078
+C	-0.9900344351	 1.1476035156	-0.0152498338	-0.462851
+C	-2.0679141979	 0.0536711462	-0.0479665145	 0.414111
+C	-3.4063852329	 0.0862741561	-0.6340997532	-0.26198
+O	-3.2093172136	 0.0716243672	 0.7890696347	-0.268159
+H	-1.8751620463	-2.7506111797	-1.1551964202	 0.120909
+H	-1.1073044934	-1.5166656591	-2.1706540667	 0.117654
+H	-0.1074654785	-2.6391803209	-1.2375015378	 0.136734
+H	-0.0991953741	-2.4865261779	 1.3560773767	 0.130133
+H	-0.9469788809	-1.1523057531	 2.1594495189	 0.125025
+H	-1.8769789144	-2.4609593808	 1.4260080247	 0.129404
+H	-0.9445909572	 1.6891029617	 0.935554321	 0.148102
+H	-0.9782561171	 1.8733616282	-0.8330037509	 0.137483
+H	-3.79692631	 1.0185442292	-1.0404181016	 0.118811
+H	-3.841772389	-0.8203604658	-1.0519180835	 0.118955
+19
+0 1400	2.3433713	1.5376426	1.2853671	4.009	75.39	-0.26641	0.01436	0.28076999999999996	1090.8913	0.154849	-422.574852	-422.56565	-422.564706	-422.608353	34.2
+C	-0.8867757803	-1.9137168425	-1.3128534943	-0.443117
+C	-0.9883661338	-1.0882419399	-0.0305419318	-0.038025
+C	-0.8693734431	-1.9465249653	 1.2285262157	-0.443117
+C	-0.0664051919	 0.1444986031	-0.0209254265	 0.462376
+O	 1.101007986	 0.3705419647	-0.0260238996	-0.339304
+O	-1.0984982668	 1.0527135279	-0.0021291677	-0.283946
+C	-2.0835624642	-0.0128824874	-0.0091518808	 0.463797
+C	-3.3556339134	 0.1363442242	-0.7620650857	-0.337883
+C	-3.3451888092	 0.1166223647	 0.7646941523	-0.337883
+H	-1.6749696656	-2.6737840606	-1.3436632848	 0.119627
+H	-0.9818869908	-1.2868543815	-2.2037274607	 0.131689
+H	 0.0790713191	-2.4255419535	-1.3570826674	 0.138066
+H	-1.6572028069	-2.7072766179	 1.2504922032	 0.119626
+H	 0.096901083	-2.4591447739	 1.2463042878	 0.138066
+H	-0.9521743158	-1.3428828586	 2.136501517	 0.131689
+H	-3.5379612056	 1.0886030539	-1.2477481491	 0.135626
+H	-3.7490069067	-0.7267558007	-1.2891788309	 0.123545
+H	-3.5206866244	 1.0559861503	 1.2772607017	 0.135626
+H	-3.7314667295	-0.759873837	 1.2746712216	 0.123545
+19
+0 1401	2.3981938	1.4982333	1.2697154	1.9284	76.03	-0.23366	-0.027	0.20666	1091.2949	0.153727	-422.5523	-422.542668	-422.541724	-422.587224	35.272
+C	-0.9901378533	-1.9062225023	 1.4280652642	-0.438497
+C	-1.0971976247	-1.1655553697	 0.0963780752	 0.210436
+O	-1.2047914564	-2.0566253168	-0.9948035446	-0.469744
+C	-0.0263737605	-0.0567279026	-0.0878323924	 0.363696
+O	 1.1261245969	-0.0996982312	-0.4100269895	-0.309515
+C	-1.0515855298	 1.0673461432	 0.1363938188	-0.452526
+C	-2.1378419734	-0.0223939621	 0.0551224001	 0.33556
+C	-3.5139018325	-0.0187308729	 0.6482938681	-0.337139
+C	-3.328780245	-0.0043227928	-0.8522296751	-0.308217
+H	-1.8599238414	-2.557279958	 1.5583669074	 0.128974
+H	-0.0865122387	-2.525000305	 1.4472646184	 0.121863
+H	-0.9456182758	-1.2131224701	 2.2740654797	 0.120451
+H	-0.3413793508	-2.4678275923	-1.120177856	 0.290183
+H	-0.9474305553	 1.5418350392	 1.1190615744	 0.130899
+H	-1.0591928802	 1.8484192838	-0.6292554332	 0.134588
+H	-3.8771007443	-0.9325237239	 1.1081069133	 0.117228
+H	-3.8554322236	 0.8897064144	 1.1344080773	 0.113808
+H	-3.5430785646	-0.9123505277	-1.4041946594	 0.135124
+H	-3.5462063465	 0.9147159069	-1.3871113764	 0.112827
+19
+0 1402	2.1421152	1.7180869	1.2287267	1.3391	74.86	-0.23763	-0.03966	0.19797	1085.2343	0.154728	-422.617208	-422.607643	-422.606699	-422.652855	34.426
+C	-0.1099392607	-2.2096606109	 0.9846708545	-0.417607
+C	-0.7568267054	-1.2312742792	-0.0077670715	 0.034131
+C	-0.8880897034	-1.8784681528	-1.4046933823	-0.416198
+C	-2.1398147838	-0.7699978902	 0.4689042182	 0.378505
+O	-3.0059170783	-1.497313934	 0.8824130968	-0.32024
+C	-2.2517779057	 0.7539780078	 0.3367699168	-0.336326
+C	-0.8069498269	 1.2691780071	 0.2834981715	-0.335392
+C	 0.0547061566	 0.0665385949	-0.1230227862	 0.383861
+O	 1.2039490392	 0.1278708509	-0.4776551144	-0.323344
+H	 0.0128003028	-1.758515984	 1.9743361715	 0.118735
+H	-0.7427511872	-3.0940077011	 1.0942057755	 0.138665
+H	 0.8770076193	-2.5081423524	 0.6220312113	 0.136047
+H	-1.48364146	-2.7925718938	-1.3334420965	 0.138057
+H	-1.3732663278	-1.2099630209	-2.1236319681	 0.11862
+H	 0.1074331749	-2.1196410255	-1.7867452421	 0.14243
+H	-2.783864625	 0.9650728495	-0.5995556775	 0.140514
+H	-2.8606124024	 1.16138512	 1.1461656254	 0.137359
+H	-0.6384258901	 2.1053723718	-0.3985685103	 0.138713
+H	-0.4613643661	 1.5950502127	 1.2726007074	 0.143471
+19
+0 1403	2.134196	1.4672795	1.2069797	1.7098	79.63	-0.22944	0.03612	0.26556	1149.6343	0.152351	-422.52081	-422.510496	-422.509552	-422.554988	38.777
+C	-1.0662235716	-0.5869391708	 0.5833513528	-0.448486
+C	-1.8645729976	 0.6373411317	 0.9535676576	 0.304589
+O	-1.7102752988	 1.0035254878	 2.3035631453	-0.474017
+C	-3.2679439102	 0.8751495143	 0.3620946342	-0.40625
+C	-4.304547643	 1.2599888992	 1.2630998194	 0.304794
+C	-5.1258184312	 1.5626179418	 2.092132518	-0.414783
+C	-2.0780758119	 1.8271122724	 0.0518283506	 0.392375
+C	-1.5702521756	 1.8979950712	-1.3659787412	-0.446495
+O	-2.0492785776	 3.0695733327	 0.6650558394	-0.464774
+H	-1.4095031063	-1.4514694583	 1.1612227435	 0.125178
+H	-1.1624413195	-0.8259934249	-0.4781878407	 0.12076
+H	-0.006177384	-0.4293431161	 0.8065814378	 0.133144
+H	-2.5614605007	 0.8833582827	 2.74913217	 0.293441
+H	-3.5594002886	 0.2059453439	-0.4424364301	 0.110578
+H	-5.8813842963	 1.8578595289	 2.7774054457	 0.199138
+H	-1.6731843963	 0.9443319388	-1.8880499031	 0.116113
+H	-2.1380500872	 2.6527096215	-1.9188274068	 0.137313
+H	-0.5162083811	 2.1929124588	-1.3769200905	 0.128573
+H	-1.8667643823	 2.8979447543	 1.601715348	 0.288809
+19
+0 1404	2.0081098	1.2917645	0.9677715	3.9574	79.94	-0.25447	-0.04856	0.20590999999999998	1287.4593	0.153443	-422.570881	-422.560909	-422.559965	-422.605686	35.447
+C	 2.7750805007	-0.3538376365	-1.7392847475	-0.463136
+C	 1.7661922153	-0.0881642453	-0.637025421	 0.290966
+C	 1.3256886674	-1.3449645655	 0.0958758428	-0.456414
+C	 1.8759016338	 1.185091849	 0.2014017301	-0.184322
+C	 2.9465236987	 2.1931617956	-0.0047652355	 0.142251
+O	 3.3050436576	 2.622578152	-1.0763536173	-0.261222
+C	 0.7856780152	 1.0415928873	-0.8727194341	-0.145916
+C	-0.6337595898	 0.9888379718	-0.4446790245	 0.15839
+O	-1.5437284867	 1.4521513692	-1.0861777925	-0.260829
+H	 3.6526650498	-0.872466892	-1.3370538909	 0.119912
+H	 2.326903777	-1.0011672177	-2.5006906135	 0.125632
+H	 3.1094097258	 0.5676137765	-2.2161867355	 0.161896
+H	 0.6554979325	-1.1406634624	 0.933637138	 0.123074
+H	 0.8112410585	-2.0278970756	-0.5889834532	 0.133871
+H	 2.2014963325	-1.8702801504	 0.4911675951	 0.128552
+H	 1.553396075	 1.0823689833	 1.2340635002	 0.098096
+H	 3.4260400109	 2.5449349062	 0.9346998268	 0.087553
+H	 0.9568871029	 1.634680153	-1.7654556657	 0.130676
+H	-0.8199325572	 0.4927470714	 0.5342001283	 0.07097
+19
+0 1405	2.594073	1.2126968	1.0344188	0.6019	77.32	-0.25015	-0.03454	0.21560999999999997	1219.3601	0.153368	-422.580247	-422.570396	-422.569451	-422.615393	35.178
+C	-0.9148071361	 1.9058870851	 1.191240331	-0.446121
+C	-1.0646181411	 1.0895671516	-0.1018020425	 0.166288
+C	-1.1526290302	 1.9988940609	-1.3244623861	-0.441747
+C	-2.140748001	-0.0840122012	-0.0427955593	-0.120453
+C	-0.9985283908	-1.1240959324	 0.1743760025	-0.389107
+C	 0.0050699381	-0.0219642586	-0.1868740884	 0.391948
+O	 1.1570570518	-0.0165663208	-0.5072536609	-0.297971
+C	-3.1928791152	-0.0108302011	 1.0282671957	 0.153969
+O	-4.3670871756	 0.1647314647	 0.8251628124	-0.252823
+H	-0.806091699	 1.2745560661	 2.0785695512	 0.120999
+H	-0.0229889243	 2.5358291504	 1.1232579709	 0.138789
+H	-1.7820198152	 2.557129181	 1.3426571051	 0.134255
+H	-1.2423423716	 1.4216800521	-2.2496461772	 0.123498
+H	-2.0205778593	 2.6626359443	-1.2509970408	 0.129305
+H	-0.2529104215	 2.6173312294	-1.4002969356	 0.137154
+H	-2.6374527714	-0.1943242429	-1.0084575346	 0.101799
+H	-0.8998158194	-1.4334091869	 1.2221573326	 0.136535
+H	-0.9957769099	-2.0188716959	-0.4512976243	 0.142234
+H	-2.8069270183	-0.135513456	 2.0675314284	 0.071449
+19
+0 1406	2.4370993	1.4676512	1.1824365	2.6208	77.3	-0.23644	-0.00774	0.22870000000000001	1121.4716	0.154268	-422.553565	-422.544282	-422.543338	-422.586872	35.322
+C	-1.3470220255	-0.3315983851	-2.6302709627	-0.460139
+C	-1.8703049963	-0.899152504	-1.3201300633	 0.261181
+C	-2.9085716002	-1.9945080417	-1.5251331278	-0.446235
+C	-0.9235957629	-1.2077813185	-0.1316418284	-0.3162
+C	 0.0806549273	-0.1243212072	 0.0464911863	 0.42198
+O	 1.2617298301	-0.1105545961	 0.2623928988	-0.325224
+C	-0.9919333951	 1.0016440556	 0.075856647	-0.445491
+C	-2.0518083801	-0.0945782036	-0.0895765557	 0.370079
+O	-3.2634551262	-0.093845086	 0.559316223	-0.449074
+H	-0.9020446481	-1.1301526852	-3.2334304119	 0.125775
+H	-2.1665386995	 0.1060111549	-3.2116309766	 0.121682
+H	-0.5847760035	 0.4376847347	-2.4914214918	 0.128808
+H	-3.2700276404	-2.3974351745	-0.5774707008	 0.129833
+H	-3.7728765514	-1.5983958465	-2.0684631152	 0.126161
+H	-2.4850852982	-2.8125509008	-2.116779491	 0.119157
+H	-0.8697794677	-2.2153225493	 0.2640279995	 0.104932
+H	-1.0139016294	 1.4421391439	 1.0795644108	 0.119181
+H	-0.9438654462	 1.8070358099	-0.6618694566	 0.122294
+H	-3.1202217266	 0.1384259695	 1.4840000764	 0.291302
+19
+0 1407	2.432417	1.525126	1.2007543	4.5832	76.43	-0.26553	0.00586	0.27138999999999996	1116.7711	0.154576	-422.570987	-422.561741	-422.560796	-422.604287	34.63
+C	-1.3122464718	-0.2688239273	-2.5505700981	-0.464611
+C	-1.8592460025	-0.870478237	-1.270094078	 0.24002
+C	-2.9446070536	-1.9104298048	-1.4991924659	-0.458933
+C	-0.9396235846	-1.2292600177	-0.0671830592	-0.378611
+C	 0.0775412449	-0.1432214729	 0.1036741874	 0.45826
+O	 1.2486826079	-0.0348976051	 0.2729905223	-0.333356
+O	-0.860337614	 0.8837686677	 0.0496865742	-0.294855
+C	-1.9492055529	-0.0952040599	 0.0052561391	 0.413027
+C	-3.1127638187	 0.2030532502	 0.8913352047	-0.49337
+H	-0.8233946994	-1.0379294216	-3.1574801417	 0.124625
+H	-2.131102718	 0.1526411906	-3.1444499625	 0.120136
+H	-0.5946643238	 0.5292854883	-2.3571013943	 0.150149
+H	-3.288523091	-2.3687103831	-0.5678143057	 0.121608
+H	-3.8101270313	-1.45996238	-1.9969959242	 0.12798
+H	-2.5693989426	-2.7116326101	-2.1443456395	 0.131537
+H	-0.9183493303	-2.2156716233	 0.374301435	 0.118744
+H	-2.7856108347	 0.3352413415	 1.9266710762	 0.14176
+H	-3.6039040153	 1.1277752103	 0.5694738934	 0.142217
+H	-3.8499571781	-0.6019059658	 0.8563809269	 0.133672
+19
+0 1408	2.4081914	1.4751164	1.1750346	2.8011	77.48	-0.23493	-0.00712	0.22781	1124.0283	0.154218	-422.55574	-422.546447	-422.545503	-422.58904	35.371
+C	-1.4347296653	-0.4236012959	-2.5356212692	-0.467159
+C	-1.8990139706	-0.8526463889	-1.1601117483	 0.362097
+O	-2.9329732976	-1.801032191	-1.2117785234	-0.464019
+C	-0.9338286254	-1.1166874773	 0.0196760479	-0.298342
+C	 0.1196895007	-0.0670448342	 0.088118817	 0.419233
+O	 1.3054364486	-0.0877109168	 0.2750544668	-0.328634
+C	-0.9166568069	 1.0871656156	 0.046862182	-0.430479
+C	-2.0273195647	 0.0201710752	 0.0357663016	 0.283588
+C	-3.2689341462	 0.1141475677	 0.8750848264	-0.493448
+H	-1.0654183285	-1.2925261603	-3.0938982279	 0.116603
+H	-2.2698968676	 0.0080953446	-3.0964016753	 0.131439
+H	-0.6224036115	 0.3041156137	-2.4990092011	 0.137318
+H	-2.6159125021	-2.5577713842	-1.7169395436	 0.287365
+H	-0.9275268558	-2.0994749839	 0.476192121	 0.104066
+H	-0.8859736828	 1.6359778651	 0.9938244714	 0.131805
+H	-0.8719934041	 1.8046607897	-0.7766787069	 0.116896
+H	-3.0185571662	 0.3209825381	 1.9210186687	 0.12056
+H	-3.9101586543	 0.9302104486	 0.520904104	 0.124838
+H	-3.8445143396	-0.8112294057	 0.8269560288	 0.146274
+19
+0 1409	3.505551	1.4548506	1.2952583	1.2509	75.07	-0.24534	0.07869	0.32403	1030.3057	0.157169	-422.508828	-422.501131	-422.500187	-422.540349	31.294
+C	-0.0935147776	-0.3234272413	 0.1164507107	-0.480094
+C	 1.2218325445	 0.4109238299	 0.2459959384	 0.393225
+O	 2.0643468881	-0.1956078013	 1.2077783143	-0.470819
+C	 1.4596110637	 1.9144917001	 0.1802929486	-0.131964
+C	 2.0923903883	 0.9681831106	-0.8493766892	-0.094991
+C	 1.4694176522	 1.5882445032	-2.1148027576	 0.034916
+C	 1.7337317089	 3.1060713263	-1.901624481	-0.21491
+C	 0.6726989381	 2.8000637602	-0.8064454579	 0.037671
+O	 0.0814594382	 1.8451900174	-1.7407932614	-0.287929
+H	-0.6299515987	-0.2898395105	 1.0745788879	 0.097553
+H	-0.7306634458	 0.1079031397	-0.6503046875	 0.15467
+H	 0.1026201385	-1.3754771	-0.1159630789	 0.119755
+H	 1.5741035399	-0.2278802328	 2.0368858292	 0.277779
+H	 2.0386315159	 2.3744590992	 0.9723499256	 0.090962
+H	 3.1455829463	 0.714532102	-0.8393780188	 0.100037
+H	 1.5842639937	 1.0834385709	-3.0736506959	 0.085236
+H	 2.7310455073	 3.4339960122	-1.5975662217	 0.097539
+H	 1.3289163133	 3.713734726	-2.7128659783	 0.108276
+H	-0.030963315	 3.5393735081	-0.4243249766	 0.083086
+19
+0 1410	3.231518	1.4698309	1.3012562	2.1571	74.57	-0.23991	0.0568	0.29671000000000003	1031.0828	0.156506	-422.485635	-422.477662	-422.476718	-422.517443	31.905
+C	-0.1445408989	-0.0279775216	 0.2051253099	-0.494444
+C	 1.3519249945	 0.0109116482	-0.0301036597	 0.398917
+O	 2.0573963583	-0.5453441754	 1.0673707837	-0.465067
+C	 2.1462807707	-0.2186550538	-1.2996931201	-0.148791
+C	 2.1646959247	 1.1535408209	-0.5518489997	-0.117461
+C	 1.6330178281	 1.8158127346	-1.8403343894	 0.101253
+O	 0.1974100248	 1.9345254473	-2.0478960238	-0.300801
+C	 0.1800059535	 0.7336085905	-2.8704626096	-0.116423
+C	 1.6745253823	 0.479053356	-2.5933911192	-0.086191
+H	-0.3290886463	 0.2929130802	 1.2353361883	 0.123725
+H	-0.6893965885	 0.6393334381	-0.45723621	 0.162207
+H	-0.5312856322	-1.0493895094	 0.0976945692	 0.100184
+H	 1.7899668073	-1.4682522402	 1.1411930548	 0.280315
+H	 2.9138939219	-0.9835577709	-1.2827978314	 0.08961
+H	 2.9442734478	 1.5761228298	 0.0712457876	 0.094868
+H	 2.1714342911	 2.7124892124	-2.1566273872	 0.086477
+H	-0.5438112532	-0.0082957806	-2.5177247461	 0.10434
+H	-0.0401604508	 0.9853554606	-3.914857589	 0.10456
+H	 2.3310681549	 0.3218211233	-3.4480643585	 0.082722
+19
+0 1411	2.3307084	1.8623091	1.6105546	2.3147	74.03	-0.24339	0.06369	0.30708	952.9992	0.155828	-422.522611	-422.514254	-422.513309	-422.554613	33.524
+C	-0.1496102232	 0.0526048231	 0.2344231983	-0.474116
+C	 1.3459827142	 0.0637930323	-0.0377601219	 0.357036
+O	 2.0272033487	-0.7683950642	 0.9054682887	-0.50016
+C	 1.8871683649	-0.1008718558	-1.4576068604	-0.127798
+C	 1.977906532	 1.3064227498	-2.0778024247	-0.075714
+C	 1.5079388176	 2.3253001965	-1.0326300648	-0.294697
+C	 2.1638656403	 1.3934008098	-0.0013886423	 0.387151
+O	 2.5556880187	 1.8901836174	 1.2175979072	-0.487378
+C	 3.0712352627	 0.7864739979	-1.1834746622	-0.169978
+H	-0.3589414211	 0.4222773999	 1.2431648699	 0.127634
+H	-0.6966697617	 0.6648490216	-0.4863058772	 0.126996
+H	-0.5450947667	-0.9685122534	 0.1590992463	 0.102945
+H	 1.6380645175	-1.6476669868	 0.8820615032	 0.280445
+H	 1.8510519028	-0.9876484414	-2.0789930481	 0.078444
+H	 2.0057361411	 1.4317412313	-3.1521154013	 0.087846
+H	 2.0718891843	 3.2577021455	-1.1230610895	 0.108393
+H	 0.4416421355	 2.5499407123	-0.9195655027	 0.088317
+H	 2.7367727379	 1.1196002682	 1.774178769	 0.292878
+H	 4.1323533744	 0.650414946	-1.3265342279	 0.091755
+19
+0 1412	2.2948543	1.8772227	1.6234754	0.7229	73.8	-0.22244	0.06806	0.2905	958.2327	0.154662	-422.50536	-422.496803	-422.495859	-422.537553	33.768
+C	-0.0795655217	-0.2335048262	-0.0264822917	-0.474275
+C	 1.4206796599	 0.0028397597	-0.0144415098	 0.390971
+O	 2.0299357198	-0.4942362606	 1.1697549644	-0.480379
+C	 1.9738655955	 1.3986980679	-0.2776734304	-0.157051
+C	 2.0980323451	 1.4888596758	-1.8051247508	 0.079318
+O	 1.5710383556	 0.2855942331	-2.3714878858	-0.329287
+C	 2.2550160416	-0.4166130254	-1.2853548687	 0.371008
+C	 2.6359626876	-1.8307517544	-1.5832629348	-0.533756
+C	 3.1796682764	 0.8375176768	-1.0270632459	-0.199217
+H	-0.5564625034	 0.2968576083	 0.8038151056	 0.12129
+H	-0.5102255272	 0.1108669015	-0.9683499312	 0.141067
+H	-0.3097988309	-1.3019934476	 0.0807446607	 0.100204
+H	 1.6807810677	-1.3782709868	 1.3256147944	 0.276333
+H	 1.9265956707	 2.2651547287	 0.3696941009	 0.090407
+H	 2.0492153987	 2.4066896762	-2.3756907053	 0.109923
+H	 3.1120733659	-2.280020832	-0.706558236	 0.127765
+H	 1.7474684873	-2.417338738	-1.8423600277	 0.130408
+H	 3.3334765662	-1.8816693042	-2.4237889158	 0.1347
+H	 4.2445847151	 0.9902741373	-0.9288147521	 0.100571
+19
+0 1413	2.7543817	1.9094059	1.6478306	1.7938	71.97	-0.23769	0.08776	0.32545	915.3852	0.157819	-422.555672	-422.54821	-422.547266	-422.586953	30.266
+C	-0.1962222128	 0.0684462937	 0.6548532091	-0.447246
+C	 1.1536212851	 0.5709265895	 1.1740833906	 0.302564
+C	 1.0167287288	 1.2212721011	 2.5533845357	-0.447256
+C	 1.9084465242	 1.4419824008	 0.1628988261	-0.19776
+C	 2.6565544379	 0.4469085195	-0.7156807971	 0.025612
+O	 2.3751957931	-0.8578004855	-0.2383076649	-0.24701
+C	 2.2535732885	-0.5355894219	 1.1432288694	 0.106123
+O	 3.4535686852	 0.1669933754	 1.44928253	-0.247016
+C	 3.379166017	 1.1336118738	 0.4151589859	 0.025621
+H	-0.64297165	-0.6419371126	 1.3601247302	 0.110768
+H	-0.8985382695	 0.9009171888	 0.5413651951	 0.112317
+H	-0.090724723	-0.4291615175	-0.3108599244	 0.132918
+H	 0.578412547	 0.5186965383	 3.2716495846	 0.110769
+H	 1.9854624241	 1.5442944101	 2.9388094373	 0.132911
+H	 0.3550415336	 2.0923866518	 2.5037419684	 0.112317
+H	 1.5494640965	 2.3993341382	-0.1890593757	 0.092114
+H	 2.8608934155	 0.5221512783	-1.7730003834	 0.11379
+H	 2.149239598	-1.4296166035	 1.7527859887	 0.094672
+H	 4.2171296308	 1.8109864017	 0.3494185143	 0.113794
+19
+0 1414	2.7532203	1.8660035	1.6397045	1.8461	72.22	-0.23441	0.08812	0.32253	915.1132	0.158751	-422.569665	-422.562411	-422.561466	-422.600684	30.227
+C	-0.0469372113	 0.2352887175	 0.1534203348	-0.442845
+C	 1.4311831306	-0.0733564846	-0.0253267164	 0.450653
+O	 1.5452124674	-0.8484225612	-1.2058476398	-0.499995
+C	 2.1290210236	-0.7344517075	 1.1729627985	-0.163646
+C	 2.7298301103	 0.38143825	 2.0314479133	-0.115159
+C	 2.382941894	 1.7083818319	 1.3618245861	-0.239735
+C	 2.3952393025	 1.1517457636	-0.0714415774	-0.017839
+O	 3.678119928	 0.4914913027	-0.1513759877	-0.281392
+C	 3.5722867494	-0.3349856934	 1.0054952075	 0.067161
+H	-0.2513038656	 0.739790763	 1.0998306969	 0.117978
+H	-0.4088636651	 0.8597740915	-0.6693346745	 0.121589
+H	-0.6147203985	-0.6992971957	 0.1357091629	 0.129682
+H	 2.4892976355	-0.8806711761	-1.4091591908	 0.283928
+H	 1.8179602388	-1.692027331	 1.5679744922	 0.091452
+H	 2.8965932985	 0.2759093045	 3.0949622091	 0.091761
+H	 1.4139497722	 2.1189168185	 1.6526384294	 0.107906
+H	 3.154325896	 2.4692520281	 1.5115537061	 0.108696
+H	 2.2796010602	 1.8361233937	-0.9091286489	 0.083988
+H	 4.4400235435	-0.9472352556	 1.2033529387	 0.105818
+19
+0 1415	2.8522341	1.7212891	1.2553039	2.5546	75.45	-0.24053	0.0667	0.30723	1027.4127	0.155844	-422.502332	-422.494211	-422.493267	-422.5341	33.005
+C	 0.0133154309	 0.0995544076	 0.3645612104	-0.477318
+C	 1.2955250144	-0.5276183836	-0.1508798075	 0.408937
+O	 2.2151452098	-0.766755746	 0.9205132595	-0.491346
+C	 1.2329369761	-1.6513181485	-1.2125700352	-0.187243
+C	 1.0874876525	-0.6296984413	-2.3889739393	-0.070024
+C	 2.2756905123	-1.23717072	-3.172823147	-0.312288
+C	 2.6961812838	-1.305725375	-1.7045905281	 0.434612
+O	 3.882971686	-1.8048727745	-1.2312188965	-0.48032
+C	 2.0259505377	 0.0827385084	-1.358051997	-0.153952
+H	-0.504909661	-0.579627646	 1.0538471855	 0.106468
+H	 0.2295788192	 1.0267575653	 0.9045016058	 0.126881
+H	-0.6756953302	 0.3254144435	-0.4540019061	 0.124764
+H	 1.7601848319	-1.2760852472	 1.6000441661	 0.278974
+H	 0.7784870237	-2.6425825203	-1.1554341677	 0.063909
+H	 0.1528805993	-0.2335450706	-2.7778658741	 0.079209
+H	 2.0946112083	-2.1907768937	-3.6785226403	 0.095483
+H	 2.8413360911	-0.5547942144	-3.8150404748	 0.09642
+H	 3.8562974236	-1.6702348577	-0.2730604056	 0.286842
+H	 2.4765781608	 1.071040334	-1.4610528383	 0.069992
+19
+0 1416	2.9206412	1.6459316	1.2293858	2.5315	75.08	-0.22407	0.06794	0.29201	1049.6072	0.154267	-422.483924	-422.475351	-422.474407	-422.516236	33.701
+C	-0.0684949183	-0.3118673492	-0.008889174	-0.463982
+C	 1.2729473673	 0.2321291645	 0.457014977	 0.395919
+O	 2.0083866799	-0.7529413186	 1.1669729885	-0.477811
+C	 1.3238455491	 1.6675526853	 1.0388605036	-0.214999
+C	 1.3610617529	 2.3003451127	-0.3836284091	 0.069107
+O	 2.5312181676	 3.1237308291	-0.1282530049	-0.366059
+C	 2.8105682001	 1.8615209265	 0.5674617082	 0.477255
+C	 4.0985751659	 1.7112654354	 1.3070472366	-0.528354
+C	 2.1612979033	 0.9747461892	-0.5555901427	-0.178244
+H	-0.696364956	-0.5868474341	 0.8483531505	 0.108312
+H	-0.6225334385	 0.4256492335	-0.5971697113	 0.122386
+H	 0.0750820392	-1.2078622343	-0.6207956944	 0.128665
+H	 1.4440880188	-1.1045474943	 1.8637723249	 0.276971
+H	 0.8588243437	 2.0865105174	 1.9326636021	 0.073332
+H	 0.5544789473	 2.7118191465	-0.9878730113	 0.093504
+H	 4.1766423765	 2.4660126756	 2.0960420308	 0.127953
+H	 4.1447259901	 0.7161949366	 1.7547393936	 0.146635
+H	 4.9461076275	 1.8370171513	 0.6259814908	 0.130485
+H	 2.6422408336	 0.6044429669	-1.4612349389	 0.078924
+19
+0 1417	2.6239569	1.5832128	1.4508644	0.9413	74.2	-0.23196	0.07377	0.30573	1014.0679	0.15449	-422.479084	-422.47051	-422.469566	-422.511432	33.542
+C	 3.7667621716	-1.5739993856	-1.9243665441	-0.454496
+C	 2.7132222913	-0.4990802839	-2.1832973451	 0.240515
+C	 1.758775634	-0.906883819	-3.3036402763	-0.454488
+C	 2.0672570892	 0.1563818491	-0.9259057031	-0.11938
+C	 1.8763941668	 1.5357396802	-1.6256224079	-0.018667
+O	 2.5375614731	 2.3005193818	-0.5734734496	-0.342213
+C	 3.3044972617	 1.0612417186	-0.6446096004	-0.018667
+C	 3.2191073328	 0.9570227529	-2.2154467955	 0.361132
+O	 4.0502868798	 1.47502949	-3.1748666951	-0.473051
+H	 4.4539553839	-1.2927800849	-1.1205280848	 0.114064
+H	 3.2953959602	-2.5227440561	-1.6445823417	 0.114219
+H	 4.364376158	-1.7553639565	-2.8242496209	 0.125454
+H	 1.2412089166	-1.8400184917	-3.0547048056	 0.114224
+H	 0.9980165278	-0.1440266247	-3.4953928737	 0.114067
+H	 2.3062411328	-1.0724645078	-4.2378182909	 0.125439
+H	 1.4084895452	-0.2788446292	-0.1774297191	 0.084181
+H	 1.0013281855	 1.9667907438	-2.1093964618	 0.096226
+H	 4.1366035321	 0.9250780912	 0.044332108	 0.096227
+H	 4.2115425875	 2.4027815616	-2.9610185324	 0.295216
+19
+0 1418	2.6628005	1.601036	1.4657213	1.7838	75.27	-0.25	0.06897	0.31897	1004.7808	0.155373	-422.500232	-422.491736	-422.490791	-422.53242	33.557
+C	-0.0550360409	-0.1860831456	 0.1615068825	-0.47352
+C	 1.4471933839	-0.0704752792	-0.0366109036	 0.336121
+O	 2.1573576527	-0.7168503056	 1.0090695309	-0.494036
+C	 2.0401860777	-0.2162852339	-1.4618372464	-0.115659
+C	 1.6513474152	 1.256265157	-1.8525849324	-0.097947
+C	 3.0805792567	 1.5743257673	-2.3376221984	-0.283167
+C	 3.2937720054	 0.6561479022	-1.1178841705	-0.115737
+C	 2.0686161176	 1.3007961968	-0.3521585993	 0.389398
+O	 2.0524439668	 2.4469234717	 0.4152231623	-0.482667
+H	-0.3429955453	 0.2328199059	 1.1306605746	 0.127102
+H	-0.6100589236	 0.3391038909	-0.6201661609	 0.125768
+H	-0.3707205594	-1.2371653522	 0.14083323	 0.104451
+H	 1.8015141176	-1.6049710005	 1.1154263918	 0.276497
+H	 2.0260328451	-1.0746494372	-2.1315751243	 0.070117
+H	 0.695470431	 1.5822009849	-2.2632833108	 0.072577
+H	 3.3680512169	 1.1714408623	-3.3136982858	 0.088181
+H	 3.4096094077	 2.6121548018	-2.2355176757	 0.102562
+H	 4.2176188929	 0.2945889498	-0.6699706127	 0.078217
+H	 2.4780826922	 2.2416818636	 1.2557389787	 0.291743
+19
+0 1419	2.5970207	1.6028853	1.4300911	2.7883	74.54	-0.22571	0.06389	0.28959999999999997	1016.4855	0.154304	-422.480933	-422.472265	-422.471321	-422.513401	33.668
+C	-0.1462990747	-0.1994221562	 0.0669797155	-0.472032
+C	 1.3711518652	-0.1016771089	 0.0886970349	 0.349409
+O	 1.9526871747	-1.1883809073	 0.7928561929	-0.480424
+C	 2.1180040698	 0.1659655007	-1.2271205721	-0.135383
+C	 3.2884945216	 0.8782209863	-0.4850476849	 0.040387
+O	 3.2552121358	 2.0752802645	-1.3209845394	-0.338352
+C	 1.856893585	 1.7007119715	-1.1448900183	 0.026823
+C	 2.0257293781	 1.2816283268	 0.3554838027	 0.257345
+C	 1.9869452371	 2.1658925004	 1.5668759285	-0.542659
+H	-0.5567578888	-0.139917428	 1.0832735481	 0.109324
+H	-0.5974025221	 0.6092495931	-0.5160847284	 0.121913
+H	-0.4604901021	-1.1543755898	-0.3655780492	 0.12964
+H	 1.5058256523	-1.2711639543	 1.6418295852	 0.27703
+H	 2.1845800964	-0.4450845303	-2.126531567	 0.081564
+H	 4.2510353026	 0.488790367	-0.16102978	 0.102392
+H	 1.0903315578	 2.3085163285	-1.624637248	 0.092205
+H	 2.3756810084	 1.6430223458	 2.4478731655	 0.120813
+H	 2.6032209079	 3.0557464196	 1.4014790345	 0.140378
+H	 0.9669303851	 2.4958055805	 1.7934815394	 0.119628
+19
+0 1420	3.2097143	1.2818879	1.15078	2.2911	75.08	-0.20763	0.07138	0.27901	1127.8269	0.154276	-422.473215	-422.464227	-422.463282	-422.506373	35.039
+C	-0.1520947677	-0.1092994203	 0.0241342791	-0.491712
+C	 1.3584500474	 0.1155454445	-0.0088161101	 0.382493
+O	 1.9807748643	-0.3653872642	 1.1722936109	-0.460959
+C	 2.1150668993	 1.336509158	-0.44990951	-0.088962
+C	 1.7137388262	 1.9931674038	-1.7970454701	-0.132626
+C	 0.605940067	 1.3028382948	-2.5889351421	-0.37757
+C	 1.9717671534	 0.6934420789	-2.5196039561	 0.385227
+O	 2.7686076377	 0.501474874	-3.6347145507	-0.454073
+C	 2.3349103597	 0.0039136864	-1.1703826904	-0.221492
+H	-0.4166766961	-0.4196762392	 1.0386263314	 0.121974
+H	-0.7166435581	 0.7993914168	-0.1906708008	 0.14033
+H	-0.4757557017	-0.8921933018	-0.6691472644	 0.119067
+H	 1.9496491307	-1.3282135173	 1.1434717722	 0.279953
+H	 2.7932893294	 1.8187946069	 0.2423478199	 0.099522
+H	 2.0320492784	 2.9923766759	-2.0638675481	 0.100335
+H	-0.2863289033	 0.8699415334	-2.1591362082	 0.109607
+H	 0.4362799255	 1.8027131282	-3.5394034882	 0.114096
+H	 2.4091362388	-0.239360303	-4.136578861	 0.283374
+H	 3.2044306191	-0.6367231759	-1.0871793935	 0.091415
+19
+0 1421	3.2984969	1.2842216	1.1910277	1.5563	75.77	-0.22392	0.05852	0.28244	1127.5866	0.153663	-422.47975	-422.470797	-422.469853	-422.512531	34.773
+C	-0.2064341902	-0.1693587087	 0.0677245896	-0.477448
+C	 1.2868319927	-0.0060967004	-0.1088247193	 0.40837
+O	 1.9988685468	-0.5911830226	 0.9661935426	-0.465707
+C	 2.0697092802	 1.1987419063	-0.5510278529	-0.13905
+C	 1.5380482382	 1.9435932982	-1.8067829915	-0.068244
+O	 0.3323442244	 1.3306307178	-2.2972460432	-0.294022
+C	 1.59947306	 0.72517392	-2.6146982545	 0.406845
+C	 1.9200266912	 0.4453110685	-4.0444386103	-0.498984
+C	 2.1118665301	-0.0960196644	-1.385812324	-0.223018
+H	-0.5015829765	 0.2580682293	 1.0317324587	 0.120729
+H	-0.7706757822	 0.302628075	-0.7304309193	 0.158255
+H	-0.4563273837	-1.2390161424	 0.0871440115	 0.097216
+H	 1.7300041671	-1.5154322229	 1.0150323356	 0.279211
+H	 2.8569451804	 1.5944544267	 0.0772617217	 0.101967
+H	 1.6968999057	 2.9879244302	-2.0511324781	 0.107114
+H	 1.4112832634	-0.46390026	-4.3854503748	 0.131196
+H	 1.5969527912	 1.2776836105	-4.6751425256	 0.135072
+H	 2.9966538171	 0.2973408602	-4.1777453426	 0.128423
+H	 2.9368267641	-0.7946047914	-1.4493356238	 0.092073
+19
+0 1422	2.4463437	1.7379957	1.3005138	1.0753	74.87	-0.22596	0.05748	0.28344	1038.9845	0.153831	-422.470141	-422.461137	-422.460193	-422.502997	34.709
+C	-0.212291192	-0.0309348851	 0.1290044576	-0.471972
+C	 1.3046761881	-0.0775266467	-0.0068041258	 0.231325
+C	 1.9361720661	-0.7701331545	 1.2020064057	-0.438435
+C	 2.115027211	-0.3700409235	-1.2735803907	-0.205442
+C	 1.6743060459	 0.367965493	-2.5734801728	 0.012857
+O	 0.4962586104	 1.1607174398	-2.3510212506	-0.241557
+C	 1.7622229331	 1.6678420451	-1.9192463331	-0.051691
+C	 2.2238269505	 0.9827529922	-0.5793350073	 0.285569
+O	 3.3381692619	 1.4870182554	 0.0720405769	-0.449184
+H	-0.4807795999	 0.4586078644	 1.0734871471	 0.102483
+H	-0.6980253487	 0.4907235942	-0.6877722463	 0.153971
+H	-0.6063554752	-1.0533551664	 0.1760000265	 0.11021
+H	 1.5389352015	-1.7861051167	 1.2987849175	 0.116951
+H	 3.0237967205	-0.8249783518	 1.129902752	 0.129215
+H	 1.6886986875	-0.2310239752	 2.1238840828	 0.108926
+H	 2.8471406051	-1.1678472778	-1.2924689361	 0.095902
+H	 1.8816011629	 0.0602358911	-3.5912094723	 0.11115
+H	 2.0818670754	 2.6418614026	-2.2721754604	 0.110545
+H	 3.037790426	 2.0888814	 0.7630295792	 0.289177
+19
+0 1423	2.4878839	1.7166682	1.3016221	2.2059	74.69	-0.19265	0.06244	0.25509	1034.0095	0.154751	-422.475512	-422.466729	-422.465784	-422.508301	34.626
+C	-0.1817857362	-0.1935653594	-0.0033344284	-0.486981
+C	 1.3199880579	 0.0864027941	 0.0148075843	 0.286484
+O	 1.9467790975	-0.5347422046	 1.1371019384	-0.47565
+C	 2.3003807774	 0.133451181	-1.156333996	-0.239565
+C	 1.9063735025	 1.0479572677	-2.3498961076	-0.060266
+C	 0.5850026202	 1.7680044857	-2.2468897663	-0.317429
+C	 1.7483502489	 2.2391377621	-1.4177207733	-0.110275
+C	 2.124574608	 1.3420858678	-0.2218153104	 0.406046
+O	 2.9249262627	 1.8937937993	 0.749053673	-0.467211
+H	-0.3986698917	-0.9574001634	 0.749003568	 0.115089
+H	-0.7705856507	 0.6915392401	 0.2550080197	 0.136131
+H	-0.5218757202	-0.5678997909	-0.9716316152	 0.131244
+H	 2.1086119138	-1.4593436066	 0.9205040242	 0.287663
+H	 3.1000237536	-0.5960870102	-1.226287688	 0.081244
+H	 2.4563865522	 1.0120536258	-3.2814747543	 0.093602
+H	 0.3802412609	 2.4112806916	-3.0993085068	 0.112342
+H	-0.3067838288	 1.3306342129	-1.8223874171	 0.114518
+H	 2.1768293974	 3.2282988171	-1.5097417964	 0.100053
+H	 3.0365484345	 1.2007885901	 1.4157041821	 0.292961
+19
+0 1424	2.4284206	1.7537674	1.3066081	1.2665	75.47	-0.22313	0.05667	0.2798	1035.2755	0.153771	-422.474779	-422.465816	-422.464872	-422.507483	34.724
+C	-0.1126212076	 0.1562883306	 0.1991436598	-0.479663
+C	 1.3624292686	-0.016453263	-0.0965308492	 0.357011
+O	 1.9896446	-0.7821250653	 0.9164250771	-0.464053
+C	 2.0474800078	-0.2776635782	-1.438051057	-0.227986
+C	 1.6143147739	 0.6360850343	-2.615398439	 0.010711
+O	 0.5280559806	 1.489861376	-2.2237337553	-0.246567
+C	 1.8615737422	 1.8383432014	-1.8265381517	-0.044841
+C	 2.3629414936	 0.9885964705	-0.6092749593	 0.244145
+C	 3.6219500786	 1.3845143802	 0.1065213488	-0.495295
+H	-0.2252905071	 0.5851933152	 1.2004845493	 0.119543
+H	-0.6123261455	 0.7863621112	-0.5294438231	 0.158862
+H	-0.6032339241	-0.8266325251	 0.2012523712	 0.09894
+H	 1.5223173433	-1.6233219691	 0.9654258646	 0.28099
+H	 2.6756974339	-1.1513870384	-1.5589774296	 0.090817
+H	 1.7270107558	 0.4306897878	-3.6733947735	 0.111422
+H	 2.2207495689	 2.8257347915	-2.0943577391	 0.107485
+H	 3.9432141713	 0.5928382969	 0.784536665	 0.148463
+H	 4.4336130223	 1.585496365	-0.6028908934	 0.112628
+H	 3.4658197835	 2.2972201788	 0.6955789844	 0.117389
+19
+0 1425	2.8653688	1.7521271	1.537174	2.8208	73.88	-0.23252	0.0733	0.30582	950.8434	0.157419	-422.53817	-422.530362	-422.529418	-422.569776	31.253
+C	 0.0918705218	-0.1850752999	 0.1162973714	-0.455583
+C	 1.6099055285	-0.0353118742	 0.0763518581	 0.400918
+O	 2.196866193	-0.4536918003	 1.2936945033	-0.468493
+C	 2.2181958984	-0.5421353608	-1.2380531419	-0.138679
+C	 3.5455419747	 0.1402579224	-1.515200314	-0.099376
+C	 4.2725430334	 0.8219669371	-0.3603101529	-0.093789
+O	 3.3280911225	 1.7566419031	 0.1769169166	-0.255199
+C	 2.0620722716	 1.4120908777	-0.3432356578	 0.029267
+C	 2.2731745951	 0.8840544943	-1.7814682838	-0.08733
+H	-0.310719946	 0.3299054885	 0.9938353929	 0.126468
+H	-0.3779653342	 0.2279542188	-0.7810051403	 0.123055
+H	-0.1933978271	-1.2429905458	 0.1791897008	 0.105225
+H	 1.8655778704	-1.3349155507	 1.497477346	 0.273305
+H	 1.9290363486	-1.4475128867	-1.7622891296	 0.074767
+H	 4.1205500328	-0.2455269037	-2.3489321208	 0.091667
+H	 4.5783011095	 0.116314385	 0.4188797442	 0.111421
+H	 5.1510315298	 1.3769038314	-0.7110040008	 0.096275
+H	 1.3645820821	 2.225132567	-0.1423197263	 0.076425
+H	 1.9454538152	 1.3028074066	-2.7222341352	 0.089657
+19
+0 1426	2.8844969	1.7522117	1.5593665	2.0306	73.06	-0.23654	0.0879	0.32444	941.3381	0.158147	-422.54122	-422.533789	-422.532845	-422.57243	30.57
+C	 0.0817036972	-0.0356726179	 0.0367043526	-0.430256
+C	 1.5992448196	 0.0308916603	-0.0084294397	 0.438314
+O	 2.0642302457	-0.2285131361	 1.2989142596	-0.488026
+C	 2.2205958977	-0.7951634626	-1.1377886029	-0.170718
+C	 3.6068921743	-0.2556313074	-1.4247136388	 0.084435
+O	 4.27469031	 0.4690708176	-0.4017788478	-0.289054
+C	 3.5209318565	 1.6822893123	-0.2004190314	-0.104228
+C	 2.1348777601	 1.3389914134	-0.7287266877	-0.150725
+C	 2.4379815175	 0.4749847862	-1.9779583877	-0.112473
+H	-0.299568502	 0.678784108	 0.7727050068	 0.122442
+H	-0.3526972154	 0.1968373336	-0.9391137857	 0.115233
+H	-0.2432115139	-1.0367236922	 0.3361325819	 0.121484
+H	 3.0212475408	-0.3400778759	 1.2346044069	 0.290888
+H	 1.905502919	-1.7844162418	-1.4541814764	 0.082096
+H	 4.2770704521	-0.8334491016	-2.0490999526	 0.107699
+H	 3.5281323328	 1.910577026	 0.869005793	 0.118534
+H	 3.9825053233	 2.5129290216	-0.7528399425	 0.098914
+H	 1.4428089281	 2.1769783568	-0.8073316881	 0.072605
+H	 2.2270935867	 0.6876251099	-3.0165372994	 0.092837
+19
+0 1427	3.801943	1.4344436	1.2103715	2.6507	74.58	-0.2336	0.07303	0.30663	1052.5191	0.157384	-422.522413	-422.51476	-422.513816	-422.553886	30.942
+C	-0.015107669	 0.0043953746	 0.4179629363	-0.474193
+C	 1.2717122892	-0.6027242274	-0.1206921623	 0.438585
+O	 2.0918731699	-1.0336558268	 0.9560088737	-0.486298
+C	 1.2231071037	-1.5440746358	-1.3576496644	-0.168968
+C	 1.0614301837	-0.2916425525	-2.2883001055	-0.075668
+C	 1.8671183005	-0.5818422795	-3.5481437179	-0.109102
+O	 3.0174474486	-1.2341718171	-2.9925099509	-0.284709
+C	 2.7311077161	-1.2236038409	-1.6086371688	 0.147044
+C	 2.0954114231	 0.1420730813	-1.1905552688	-0.135434
+H	 0.2180743017	 0.8208919306	 1.1083211686	 0.128405
+H	-0.6660796002	 0.3910218702	-0.3687346206	 0.1218
+H	-0.5878874058	-0.748729672	 0.9745307856	 0.107184
+H	 1.5566919684	-1.58262104	 1.5383828837	 0.275557
+H	 0.7211192214	-2.5079221411	-1.4623908498	 0.065068
+H	 0.1043412709	 0.2154374576	-2.395223106	 0.071818
+H	 1.3509836119	-1.2521984499	-4.2471781994	 0.100825
+H	 2.1685558814	 0.3248484415	-4.0881811312	 0.101587
+H	 3.5265285116	-1.6900356108	-1.0375526381	 0.105007
+H	 2.594355213	 1.107829578	-1.0990087742	 0.071491
+19
+0 1428	2.4034428	1.7051645	1.3445704	2.1548	76.36	-0.22103	0.02528	0.24631	1034.2016	0.155197	-422.556103	-422.54709	-422.546146	-422.588797	34.881
+C	 0.0011894588	-0.06426737	 0.0721634833	-0.46273
+C	 1.5091735752	-0.0082459844	 0.1815813283	 0.323808
+O	 2.0021757701	-0.3090138955	 1.4593169007	-0.448971
+C	 2.2315835413	 1.0941655249	-0.5855787109	-0.189224
+C	 3.602586187	 1.4762242084	-0.146077036	-0.060027
+C	 4.4608870588	 0.4616797541	-0.2618696264	-0.062958
+C	 3.7983708524	-0.7793333963	-0.8153597819	-0.335147
+C	 2.339803972	-0.3564040441	-1.0384009733	 0.29356
+O	 1.7146375972	-0.7509269804	-2.226720733	-0.462093
+H	-0.4536864348	 0.6250744988	 0.790002483	 0.127127
+H	-0.3336953162	 0.1931610163	-0.934498219	 0.135341
+H	-0.3695786644	-1.0732342417	 0.2983180294	 0.098038
+H	 1.7987278777	-1.2328224915	 1.6436406522	 0.277602
+H	 1.6038674803	 1.8016572082	-1.117847652	 0.092723
+H	 3.8383872006	 2.4612154513	 0.2389579674	 0.094049
+H	 5.5052602774	 0.4838616609	 0.0272812745	 0.092108
+H	 4.2366235187	-1.1006911376	-1.7688742257	 0.11038
+H	 3.8856844702	-1.6237776953	-0.1185510363	 0.095686
+H	 1.4312195777	-1.6667852461	-2.1301905244	 0.280729
+19
+0 1429	2.4525854	1.5085165	1.2445837	3.4877	76.72	-0.23208	-0.01177	0.22031	1096.8097	0.154108	-422.551218	-422.541695	-422.54075	-422.584872	35.471
+C	-1.7283786877	-0.478639627	-2.5192440933	-0.4604
+C	-2.1688911706	-0.8394932389	-1.1092917903	 0.229825
+C	-3.2971290725	-1.862313562	-1.0883980021	-0.456439
+C	-2.2027824895	 0.1432109985	 0.0260225453	-0.152687
+C	-1.0754712364	 1.1767472828	-0.0742033218	-0.374734
+C	-0.0705758559	-0.0070326249	 0.0026670313	 0.345033
+O	 1.1125045356	-0.0662295573	 0.1827755252	-0.31937
+C	-1.1748764227	-1.0315690079	 0.0473310455	 0.235985
+O	-1.1595129448	-2.1594506682	 0.8369787109	-0.445539
+H	-1.4264648694	-1.3797259439	-3.0647674224	 0.119445
+H	-2.5563015626	-0.0218180735	-3.0737935977	 0.120547
+H	-0.8857120397	 0.2146327917	-2.5442243618	 0.130763
+H	-3.6152864097	-2.0998616847	-0.0714558557	 0.135324
+H	-4.1599655487	-1.4759959967	-1.6414108178	 0.123227
+H	-2.9910822754	-2.7970991993	-1.5727690427	 0.112835
+H	-3.0694390534	 0.2407596223	 0.6675137658	 0.105886
+H	-1.0443667298	 1.8211662334	-0.9558672615	 0.119876
+H	-0.9752551578	 1.7950621566	 0.8230904426	 0.133587
+H	-0.9272193589	-2.920860321	 0.2940305506	 0.296835
+19
+0 1430	2.4605593	1.542265	1.2454546	4.3539	75.88	-0.267	0.00525	0.27225	1095.9985	0.154659	-422.566533	-422.557163	-422.556219	-422.600117	34.58
+C	-1.3378138256	-0.536510926	 2.5064919475	-0.466655
+C	-1.981262578	-0.7573452478	 1.1506020117	 0.236479
+C	-3.2407810609	-1.6067895794	 1.1982199089	-0.461982
+C	-1.9780176105	 0.2911046543	 0.0865397528	 0.006975
+O	-0.7980617318	 1.1312258074	 0.1962911554	-0.265843
+C	 0.0085105901	 0.0330592311	-0.0849232522	 0.424438
+O	 1.1846416062	 0.0276648109	-0.2548567171	-0.332098
+C	-1.137020662	-0.9488347966	-0.1465444596	 0.052496
+C	-1.175928847	-2.1205646785	-1.0853626198	-0.5016
+H	-0.9972571405	-1.4880178896	 2.9283081844	 0.123543
+H	-0.4842617353	 0.1408772751	 2.453904119	 0.149926
+H	-2.0651953142	-0.1049169233	 3.2031305141	 0.12096
+H	-3.9387026469	-1.1900651137	 1.9318139497	 0.129092
+H	-3.7564456806	-1.6456151554	 0.2344903182	 0.122876
+H	-3.0138168659	-2.6344905271	 1.5013228119	 0.130847
+H	-2.8227589863	 0.7031889548	-0.449758657	 0.122738
+H	-0.3898126684	-2.836472854	-0.8232700163	 0.143675
+H	-2.131955645	-2.6466972094	-1.0469172631	 0.127779
+H	-1.0023074374	-1.8052541928	-2.1191720185	 0.136354
+19
+0 1431	2.4173246	1.5197009	1.2506956	3.6648	76.94	-0.23791	-0.0103	0.22761	1091.0462	0.153868	-422.55525	-422.545632	-422.544688	-422.589151	35.596
+C	-1.7074519094	-0.5490181607	-2.4309029529	-0.462575
+C	-2.1220740686	-0.7859101645	-0.9937094423	 0.355678
+O	-3.1476789359	-1.7451178784	-0.8822417253	-0.46731
+C	-2.1517984426	 0.253046538	 0.0823135068	-0.17764
+C	-1.0060214267	 1.2596209113	-0.0650352806	-0.375009
+C	-0.0347585777	 0.0540614029	 0.0390793873	 0.349993
+O	 1.1534280552	-0.0252892056	 0.1848030052	-0.316247
+C	-1.1423647048	-0.9526725067	 0.1685226842	 0.170589
+C	-1.0735741234	-2.1905878106	 1.0160554713	-0.500716
+H	-1.4213529699	-1.4992707833	-2.8909034123	 0.136886
+H	-2.5431316359	-0.1318243938	-3.0070912076	 0.109832
+H	-0.8649791966	 0.1398771327	-2.5185561887	 0.134294
+H	-3.9354734334	-1.3780377357	-1.2983975773	 0.285868
+H	-3.0338438129	 0.388841975	 0.6955840743	 0.101183
+H	-0.9736079011	 1.881757569	-0.963608485	 0.118031
+H	-0.8806343478	 1.9014337468	 0.8126953989	 0.133371
+H	-0.3188440841	-2.8776433035	 0.6183801535	 0.135593
+H	-0.7864374097	-1.9470753039	 2.0439091809	 0.123786
+H	-2.0340684846	-2.7073758989	 1.0275203399	 0.144396
+19
+0 1432	3.5518383	1.2073403	1.1768637	4.2131	75.19	-0.26437	0.01126	0.27563	1138.8433	0.156561	-422.595052	-422.586481	-422.585537	-422.627942	32.502
+C	-1.4164936604	 0.1553957422	 2.5757387862	-0.469246
+C	-2.3743122724	 0.0245433851	 1.4085170943	 0.273447
+C	-3.8406623031	 0.0583986273	 1.8030416915	-0.451076
+C	-2.0570855624	-0.8628490659	 0.2050321487	-0.126688
+C	-0.6264475059	-1.2756050395	-0.0595408612	-0.392443
+C	 0.1333687309	 0.0412125609	-0.2593762174	 0.419329
+O	 1.3021766572	 0.2025493341	-0.4441555467	-0.329194
+O	-0.7423478623	 1.0910796956	-0.1700657428	-0.213627
+C	-2.0609749031	 0.6421625646	 0.0689129721	 0.047665
+H	-1.5225776694	-0.6975462805	 3.2554017343	 0.12085
+H	-0.3692261893	 0.2137303906	 2.2734569249	 0.139645
+H	-1.6385009362	 1.0637533525	 3.146242663	 0.126321
+H	-4.0877228222	-0.784550623	 2.4582863657	 0.122949
+H	-4.0790753465	 0.9827969617	 2.3405866115	 0.123731
+H	-4.4964679305	 0.0007684559	 0.928274057	 0.116474
+H	-2.8581687666	-1.461390629	-0.2122566748	 0.096578
+H	-0.1451040449	-1.8388305568	 0.7450593176	 0.143572
+H	-0.533592358	-1.874263271	-0.9708652858	 0.143058
+H	-2.7942373249	 1.2134987651	-0.487717048	 0.108655
+19
+0 1433	3.3301988	1.1864035	1.1600596	2.6926	74.62	-0.24138	-0.01973	0.22165	1137.3944	0.155432	-422.579465	-422.570514	-422.56957	-422.612948	33.761
+C	-1.6394876072	-0.1461921145	-2.6225216	-0.450269
+C	-2.4909903293	-0.0951828811	-1.3786351463	 0.441406
+O	-3.8430906566	-0.130063466	-1.7681729338	-0.476571
+C	-2.1315518593	-0.7995507735	-0.0901583485	-0.143939
+C	-0.7082961356	-1.2561175219	 0.1546727685	-0.337508
+C	 0.1669002363	 0.0063292373	 0.0557269606	 0.382541
+O	 1.3680895559	 0.0177825222	 0.0023374924	-0.308483
+C	-0.7376989997	 1.2515728272	 0.0318607174	-0.337493
+C	-2.1495972675	 0.7401241934	-0.1656425013	-0.143749
+H	-1.8530354963	-1.0624996732	-3.1814904248	 0.131413
+H	-1.874514039	 0.7052879818	-3.2685989193	 0.131451
+H	-0.5700228963	-0.1224659285	-2.4052414436	 0.132486
+H	-4.3963351241	-0.1006376686	-0.9812723103	 0.281178
+H	-2.9337252942	-1.3289980334	 0.4147045391	 0.082042
+H	-0.5948760471	-1.6665242552	 1.166193643	 0.13244
+H	-0.3346801893	-2.0176829149	-0.5366678712	 0.134255
+H	-0.6350966864	 1.7613625108	 0.9983322895	 0.132441
+H	-0.3811684977	 1.9505032262	-0.7309668085	 0.134254
+H	-2.9646178068	 1.2974541821	 0.285763627	 0.082107
+19
+0 1434	2.2601921	1.789805	1.5531689	2.7412	74.37	-0.22818	-0.01846	0.20972	985.9266	0.156402	-422.558541	-422.55015	-422.549205	-422.590977	32.268
+C	-0.9691507618	 2.0230713682	-1.3580677964	-0.453264
+C	-1.0416661722	 1.1733427902	-0.0850416058	 0.181139
+C	-0.8376159935	 2.0466920196	 1.1608973433	-0.443157
+C	-2.2793931791	 0.2451949273	 0.0461164062	 0.041071
+C	-2.0555575479	-0.9023650726	-0.9676709494	-0.257303
+C	-0.9513545922	-1.2054220934	 0.0726977079	-0.044816
+O	-1.8433954964	-0.6751967672	 1.1078916191	-0.296522
+C	-0.0172711547	 0.0025229022	-0.1074249064	 0.433645
+O	 1.1751922883	 0.0477467792	-0.2310868161	-0.342412
+H	-1.154680585	 1.4435168353	-2.2665748188	 0.116566
+H	-1.7018562269	 2.8364895217	-1.3205767971	 0.117638
+H	 0.0262307257	 2.4684999471	-1.447837552	 0.140734
+H	-0.9632209787	 1.4609391022	 2.0736454414	 0.138766
+H	 0.1706206649	 2.4720214879	 1.1593767872	 0.132396
+H	-1.5554165401	 2.8745285868	 1.1721488899	 0.110924
+H	-3.2535880763	 0.6997699736	 0.2277332281	 0.086777
+H	-2.8516159373	-1.6462904009	-0.9225670367	 0.124549
+H	-1.7785443033	-0.6763226884	-1.9994032363	 0.112829
+H	-0.5269005237	-2.1871228588	 0.2721250019	 0.100441
+19
+0 1435	2.2831129	1.8079629	1.5536211	2.1506	74.7	-0.23047	-0.01292	0.21755000000000002	976.5805	0.157338	-422.575367	-422.567196	-422.566252	-422.607489	32.176
+C	-0.850386546	 2.2282493134	 1.2031091166	-0.459441
+C	-1.0766013618	 1.2985246406	 0.0151059266	 0.324064
+O	-1.0381517815	 2.0400678271	-1.2020016106	-0.48668
+C	-2.3452825466	 0.4244211716	 0.0545388078	-0.054423
+C	-2.0578778603	-0.6159328377	-1.0669366358	-0.238738
+C	-0.9365257713	-1.0999509167	-0.0776377908	-0.142035
+C	-1.9446182912	-0.702983571	 1.0530857735	-0.250306
+C	-0.0511980352	 0.1273684704	-0.0818410925	 0.400924
+O	 1.1417765552	 0.2404608341	-0.1989773097	-0.363307
+H	-0.9811436802	 1.7243690548	 2.1644730981	 0.118773
+H	 0.1700435279	 2.6249844006	 1.1719804415	 0.12789
+H	-1.5503922428	 3.066964719	 1.147891862	 0.126433
+H	-0.1170373731	 2.2889256834	-1.3479568888	 0.287533
+H	-3.2982463544	 0.9473929318	 0.1265266836	 0.075594
+H	-2.849211102	-1.3628959341	-1.1565559783	 0.106592
+H	-1.7620382419	-0.2399054853	-2.0460818368	 0.123279
+H	-0.4547197633	-2.0729860234	-0.1441254694	 0.08404
+H	-2.7328966374	-1.4506675709	 1.1607468353	 0.113616
+H	-1.5479776743	-0.4374986176	 2.0359246378	 0.106193
+19
+0 1436	3.6484687	1.0062384	0.9712061	2.9497	76.92	-0.24001	-0.03368	0.20633	1300.0399	0.15402	-422.523849	-422.514593	-422.513649	-422.558083	33.77
+C	-0.0104388013	 0.3592310484	 0.1887983561	-0.466251
+C	 1.434951295	-0.0266888451	-0.0432063129	 0.28817
+C	 1.9985822191	-1.0333815069	 0.946421368	-0.457252
+C	 2.0067641247	-0.149449363	-1.4249755041	 0.051278
+O	 1.3942452047	 0.7647138273	-2.343139448	-0.296911
+C	 1.902975312	 1.8976198992	-1.5919795646	-0.002489
+C	 2.9816323382	 2.6187881111	-2.3783754868	 0.146813
+O	 3.3308021294	 3.7460009161	-2.1465692489	-0.243401
+C	 2.4883195137	 0.9711416106	-0.5206774106	-0.175233
+H	-0.1210096583	 0.9401349188	 1.1110764832	 0.118331
+H	-0.4088964603	 0.9438063591	-0.6424329257	 0.139424
+H	-0.6304823315	-0.5389960041	 0.2852256061	 0.117738
+H	 1.4017396973	-1.9518165967	 0.9455955552	 0.123711
+H	 3.0322715089	-1.3037474548	 0.7062313528	 0.117634
+H	 1.9894610112	-0.6276812459	 1.9639925903	 0.125793
+H	 2.4871333789	-1.0291240794	-1.839501162	 0.105581
+H	 1.1234083573	 2.6047046646	-1.2889485306	 0.107497
+H	 3.4390475539	 1.998602819	-3.1809624734	 0.091383
+H	 3.4296118471	 1.1265031018	-0.009970154	 0.108184
+19
+0 1437	3.8947678	0.9983808	0.9626914	2.6593	76.62	-0.2509	-0.02252	0.22838000000000003	1280.4609	0.154678	-422.536249	-422.527179	-422.526235	-422.569905	33.896
+C	 3.5897334662	-0.4638811282	-3.6514768301	-0.463428
+C	 2.9539909871	-1.4575858708	-2.7060807865	 0.40207
+O	 2.1890114425	-2.4381697605	-3.3704696896	-0.473138
+C	 3.5759839876	-1.966152753	-1.4266219022	-0.114096
+C	 4.3322271156	-0.8711369894	-0.6653336806	-0.273849
+C	 3.0400494691	-0.0027224279	-0.6435421557	-0.117797
+C	 2.4538030441	 0.2301731818	 0.7287798004	 0.139024
+O	 2.9375167134	-0.136206888	 1.7689661984	-0.235829
+C	 2.2901668316	-1.1187491584	-1.4027284851	-0.097662
+H	 4.1405134298	 0.3226996971	-3.1311849799	 0.124
+H	 4.2975734012	-0.9720041656	-4.3179592542	 0.110039
+H	 2.8206548384	 0.0049697952	-4.2732248564	 0.129089
+H	 2.7981914945	-3.0082829344	-3.8529084085	 0.282432
+H	 3.6725214614	-3.0325465874	-1.2596040771	 0.088333
+H	 4.5967844827	-1.165873912	 0.3516614329	 0.137323
+H	 5.2107266008	-0.4414926392	-1.1550018602	 0.096952
+H	 3.0627528175	 0.965043172	-1.1622115202	 0.087042
+H	 1.482241696	 0.7762741122	 0.7141873784	 0.078935
+H	 1.2682678504	-1.4308150935	-1.2220056138	 0.100562
+19
+0 1438	2.3727889	1.4679675	1.3313241	4.17	77.04	-0.24848	-0.03708	0.2114	1085.9072	0.15391	-422.4983	-422.489212	-422.488268	-422.531937	33.848
+C	-0.0693792367	-0.123996063	 0.2063121862	-0.481194
+C	 1.4472231215	-0.0335379285	 0.063524151	 0.2924
+C	 2.138732877	-0.6669362851	 1.2672011306	-0.460074
+C	 2.130476011	-0.2841668004	-1.3233344096	 0.009509
+C	 1.5433286435	 1.0242452529	-1.8975457742	-0.28876
+C	 2.1363971614	 1.2959584902	-0.4843260932	 0.293123
+O	 3.3082699329	 0.4975081685	-0.869277336	-0.325089
+C	 2.3203769874	 2.5926822695	 0.2252044443	 0.035506
+O	 3.3752227847	 3.0104442035	 0.6262403243	-0.238913
+H	-0.3916906493	 0.359513742	 1.1348983325	 0.127116
+H	-0.631074909	 0.3240121564	-0.6143992877	 0.120152
+H	-0.369147064	-1.1758556047	 0.2753061499	 0.127821
+H	 1.8685195257	-1.7265667867	 1.341081963	 0.114624
+H	 3.2217128982	-0.5843560219	 1.1869720769	 0.152534
+H	 1.81501703	-0.1854986411	 2.1963658858	 0.117378
+H	 2.333942768	-1.22885789	-1.8297300587	 0.097553
+H	 2.1342880104	 1.4601260441	-2.7027867998	 0.122368
+H	 0.4713809346	 1.1159998604	-2.0642568299	 0.106029
+H	 1.3683276826	 3.1536152238	 0.3727188847	 0.077918
+19
+0 1439	2.1307844	1.721173	1.4164185	2.0729	76.36	-0.24882	-0.03499	0.21383000000000002	1031.5286	0.155407	-422.524738	-422.515875	-422.514931	-422.558273	33.435
+C	-0.0837238598	-0.0456952263	 0.1265622516	-0.484999
+C	 1.4311830587	-0.0344385432	-0.0443591039	 0.433006
+O	 2.0274284646	-0.5377875406	 1.1354723254	-0.488672
+C	 2.169285639	 1.2119355941	-0.6264498238	-0.097419
+C	 1.6152474431	 0.8327463373	-2.0357135054	-0.295219
+C	 2.079179016	-0.5104925188	-1.3905348034	 0.188764
+C	 3.3723057091	 0.2750436587	-0.9543264236	-0.267939
+C	 2.0294309822	-1.896590143	-1.9210831547	 0.024777
+O	 1.6253145208	-2.8316207703	-1.2668401207	-0.266885
+H	-0.3417524157	 0.4952088672	 1.0415531675	 0.129287
+H	-0.6318573515	 0.402461141	-0.7035465456	 0.11753
+H	-0.4337983724	-1.0779500905	 0.2358324407	 0.128901
+H	 1.7822400709	-1.4682201302	 1.197241948	 0.28908
+H	 2.2148536204	 2.2094033529	-0.1878412575	 0.079992
+H	 0.5515684001	 0.9613810284	-2.2323970127	 0.104636
+H	 2.2135757859	 1.1834891452	-2.8789227466	 0.103029
+H	 3.9217664972	-0.138734157	-0.1133574642	 0.128348
+H	 4.023050488	 0.5995424002	-1.7689333325	 0.094422
+H	 2.4033348933	-2.0452315753	-2.9595657686	 0.07936
+19
+0 1440	2.597008	1.8184918	1.469585	0.8714	76.	-0.24219	0.02274	0.26493	974.7287	0.154158	-422.388768	-422.380484	-422.37954	-422.420789	32.825
+C	-0.0259204277	 1.2153126831	 0.6457181317	-0.469468
+C	 1.3358359164	 0.5820926999	 0.3670704438	 0.319193
+C	 2.0450752777	 0.2375911687	 1.6752366977	-0.464488
+C	 1.447794324	-0.4538402883	-0.7631625644	-0.047259
+O	 2.9449877493	-0.222440231	-0.8309807278	-0.365517
+C	 2.2799913211	 1.1348945547	-0.778921978	 0.263531
+C	 2.1185316444	 2.5640158131	-1.3265862791	-0.190435
+O	 0.8426326975	 2.0856772494	-1.9138487553	-0.302316
+C	 1.3815874695	 0.7019224912	-1.8616753191	 0.069368
+H	-0.586637349	 0.5712837729	 1.3327256053	 0.11147
+H	 0.0975386223	 2.1827848207	 1.145644985	 0.115716
+H	-0.6234679031	 1.3761535222	-0.2494878763	 0.143109
+H	 1.4518669212	-0.4822907758	 2.2504015686	 0.112974
+H	 3.0312041632	-0.1897213752	 1.4959465921	 0.139417
+H	 2.1535307973	 1.1340022596	 2.2959769135	 0.11224
+H	 1.1570667426	-1.5082678081	-0.8045568368	 0.092734
+H	 1.956684257	 3.3721047425	-0.6080116448	 0.12671
+H	 2.8247851065	 2.860342391	-2.1091939318	 0.128641
+H	 1.8001923199	 0.4195960094	-2.8278616442	 0.104381
+19
+0 1441	3.1550622	1.4756172	1.3484012	2.6429	76.57	-0.24017	0.05949	0.29966	1024.6625	0.155949	-422.426501	-422.418531	-422.417587	-422.458205	32.192
+C	 0.0027112835	-0.1438895042	 0.068142541	-0.485641
+C	 1.5200093394	-0.0683485584	-0.0300762766	 0.338819
+O	 2.0855183337	-0.5345265596	 1.1707004561	-0.469522
+C	 2.2909968947	-0.54824129	-1.4112517287	-0.178592
+C	 3.4905741351	 0.2605030977	-0.8977960058	-0.245039
+C	 2.2399357404	 1.1806302821	-0.6326324982	 0.185265
+C	 2.3912434618	 2.5922185953	-1.2365033509	-0.194899
+O	 2.4324752583	 1.9567726676	-2.5635409152	-0.308419
+C	 1.7370652843	 0.777734166	-2.0066341246	 0.111003
+H	-0.3344104713	 0.4168956838	 0.9454916003	 0.134262
+H	-0.5166397368	 0.2421183745	-0.8085926315	 0.131213
+H	-0.308115276	-1.188350307	 0.1979971437	 0.115596
+H	 1.5935472859	-1.3120985054	 1.4534576412	 0.281717
+H	 2.2851677197	-1.5645834347	-1.8192536623	 0.063599
+H	 4.0000655396	-0.118731529	-0.0161225548	 0.112704
+H	 4.1742359575	 0.6256751738	-1.6613037912	 0.112076
+H	 1.5182943845	 3.2504546436	-1.1481588099	 0.105758
+H	 3.3126641669	 3.1384204321	-1.0157314208	 0.116452
+H	 0.6878015389	 0.8270102117	-2.2980274619	 0.073648
+19
+0 1442	3.0679616	1.5022643	1.3677597	1.7884	76.02	-0.23619	0.0591	0.29529	1021.3201	0.15595	-422.426449	-422.418429	-422.417485	-422.458241	32.357
+C	-0.1246941117	-0.3686654875	 0.0962225207	-0.490049
+C	 1.3758220409	-0.1193516205	 0.0724988709	 0.363141
+O	 2.0118376002	-1.0146999097	 0.9480818205	-0.464897
+C	 2.196696777	 0.0128682032	-1.3260842133	-0.131298
+C	 3.3139996636	 0.7048409354	-0.5251359018	-0.282864
+C	 1.9609096678	 1.3474376414	-0.0671021199	 0.337514
+O	 1.8926264227	 2.7667268991	 0.153625104	-0.356676
+C	 1.9726232274	 2.8871726779	-1.3222446892	-0.162853
+C	 1.5020531093	 1.4021451694	-1.5144334632	-0.091103
+H	-0.5029202153	-0.2279959577	 1.1169382849	 0.119271
+H	-0.6971451257	 0.2938883183	-0.5508611106	 0.134354
+H	-0.3283095779	-1.4034218954	-0.195640925	 0.133152
+H	 1.4562796842	-1.1305864149	 1.7250624642	 0.283604
+H	 2.3032999985	-0.8072660718	-2.037785301	 0.081451
+H	 3.8511090352	 0.1041662527	 0.2024448607	 0.121294
+H	 3.9776635265	 1.3461676718	-1.1029792179	 0.093874
+H	 1.2438274524	 3.6154316128	-1.6843666856	 0.116382
+H	 2.9791552904	 3.1719483037	-1.6360975767	 0.118886
+H	 0.4314516243	 1.3790338918	-1.7030144417	 0.076818
+19
+0 1443	3.1999351	1.4714758	1.3588526	1.8887	76.57	-0.24184	0.06678	0.30862	1031.3415	0.155822	-422.445665	-422.437794	-422.43685	-422.477343	32.026
+C	-0.1513281582	-0.2420114384	 0.141942403	-0.461806
+C	 1.3458845539	-0.1219869579	-0.033578944	 0.367479
+O	 1.9564943897	-0.7931820999	 1.0113149108	-0.471508
+C	 2.0849931913	-0.3117338839	-1.4681949284	-0.041974
+O	 3.2293037093	 0.385323149	-0.8790304536	-0.367692
+C	 2.01383834	 1.2281392782	-0.5250993463	 0.292202
+C	 2.3803048325	 2.700582252	-0.7716328008	-0.324512
+C	 2.3705587831	 2.3146892332	-2.3050656559	-0.251139
+C	 1.5208022835	 1.0299959296	-1.9632765542	-0.050362
+H	-0.4355094048	 0.1630682675	 1.1176454769	 0.135502
+H	-0.7129348988	 0.2815053808	-0.6315967905	 0.120495
+H	-0.4335604218	-1.2987302373	 0.1279440691	 0.13474
+H	 2.9060968752	-0.6787095552	 0.8486795712	 0.288158
+H	 2.2865335805	-1.2580993643	-1.9799284041	 0.086642
+H	 1.5633335669	 3.3806339572	-0.5169418618	 0.11374
+H	 3.3130775964	 3.0544225999	-0.3277861113	 0.117618
+H	 1.8453996495	 3.0166774594	-2.9547656355	 0.102208
+H	 3.3638502968	 2.1176661038	-2.7019398097	 0.129481
+H	 0.4599408949	 1.1054959163	-2.1952282849	 0.080729
+19
+0 1444	2.7346334	1.5522569	1.3609452	3.0729	74.72	-0.2309	-0.01791	0.21298999999999998	1032.6718	0.156218	-422.559051	-422.550768	-422.549824	-422.591351	32.332
+C	-0.7125819717	-0.167104266	 2.4583044065	-0.480963
+C	-1.4997849465	-0.599303786	 1.2242197575	 0.314273
+C	-2.6426819336	-1.5406954106	 1.6068215849	-0.453712
+C	-1.9424547022	 0.4528330386	 0.1514467104	 0.038057
+C	-0.6881954186	 1.2728332827	-0.1894974665	-0.352956
+C	 0.2627302764	 0.0557648338	-0.303395559	 0.444731
+O	 1.4403415911	 0.0165728312	-0.5227535099	-0.328218
+C	-0.736567379	-1.0863184237	-0.0526730691	-0.077257
+O	-1.8522288972	-0.6014642822	-0.8668375714	-0.304367
+H	-0.3485500065	-1.0471054951	 2.9990960177	 0.12838
+H	 0.1560047858	 0.4547151861	 2.2290059444	 0.131567
+H	-1.3569177791	 0.3930943837	 3.1448741211	 0.123136
+H	-3.3345737116	-1.0373121113	 2.2918041665	 0.115255
+H	-3.2008356324	-1.8631994292	 0.7264686777	 0.141019
+H	-2.2577877451	-2.427511488	 2.1214683763	 0.117159
+H	-2.911559473	 0.9514395448	 0.1884793558	 0.085817
+H	-0.7959052183	 1.7864463254	-1.1479539833	 0.138644
+H	-0.3545260254	 1.9908185648	 0.5632599516	 0.126176
+H	-0.4275846432	-2.1135390087	-0.2390398113	 0.093258
+19
+0 1445	2.8310724	1.5838973	1.364817	4.4051	74.69	-0.25926	0.01456	0.27382	1020.9368	0.15726	-422.582684	-422.574567	-422.573623	-422.614846	31.729
+C	-0.6910505435	 0.0017114868	 2.3376498896	-0.468488
+C	-1.4125950398	-0.5385183435	 1.1022863883	 0.316646
+C	-2.597947237	-1.3955218043	 1.5538955512	-0.466459
+C	-1.7007086972	 0.4650327382	-0.0642446378	 0.062201
+C	-1.649025457	-0.7110428409	-1.0610091582	-0.260554
+C	-0.5317682551	-1.174232915	-0.061685408	-0.220974
+C	 0.436867792	-0.0227203352	-0.2859923739	 0.450648
+O	 1.6198350131	 0.0305609883	-0.431834613	-0.355531
+O	-0.3941919964	 1.0793815872	-0.2849530623	-0.247434
+H	-0.2824725076	-0.8244821991	 2.9293432464	 0.123046
+H	 0.1272094099	 0.6792728019	 2.0900999326	 0.150272
+H	-1.3942973098	 0.5455271863	 2.9778898175	 0.118016
+H	-2.2470502731	-2.1928820588	 2.2174621532	 0.127581
+H	-3.303822922	-0.7843816413	 2.1274256423	 0.124539
+H	-3.1526736547	-1.8649503664	 0.7405070097	 0.120491
+H	-2.4651865828	 1.2398003692	-0.0424909033	 0.09204
+H	-2.5275292794	-1.3511291369	-1.0775958031	 0.118467
+H	-1.3394556684	-0.4613454596	-2.0774928198	 0.122288
+H	-0.1079703312	-2.1749747667	-0.0297238215	 0.093204
+19
+0 1446	2.7185994	1.5485127	1.3685411	3.4796	74.92	-0.23395	-0.00773	0.22622	1020.0611	0.156839	-422.574409	-422.566237	-422.565292	-422.606487	32.507
+C	-0.6965736403	-0.148824663	 2.4510486727	-0.484205
+C	-1.3618567405	-0.5861028818	 1.1527284026	 0.444154
+O	-2.3362426109	-1.5804211309	 1.4307738595	-0.486301
+C	-1.8598829854	 0.4642197541	 0.093189792	-0.097279
+C	-1.7041886784	-0.674744005	-0.9578959349	-0.246756
+C	-0.4865548872	-1.0819248372	-0.0539174752	-0.160457
+C	 0.4082579586	 0.1279868584	-0.2741828931	 0.428275
+O	 1.5929041548	 0.1764124435	-0.4675996212	-0.338908
+C	-0.6001443082	 1.3015273713	-0.1891590526	-0.345231
+H	-0.3212783202	-1.0298060088	 2.9797590173	 0.136284
+H	 0.1393740577	 0.5374022339	 2.298958806	 0.134525
+H	-1.423699444	 0.3507722332	 3.1036690031	 0.109162
+H	-2.9779521647	-1.1981251027	 2.0394185427	 0.278304
+H	-2.803431411	 0.9935766565	 0.2353159037	 0.063117
+H	-2.4998018646	-1.4133292933	-0.9156686074	 0.131348
+H	-1.4894765707	-0.3834237474	-1.9891332427	 0.099664
+H	-0.0217513859	-2.0652408668	-0.0662137958	 0.085007
+H	-0.3213265837	 2.0147592894	 0.5908219954	 0.122765
+H	-0.6516563052	 1.8442089965	-1.1385035724	 0.126532
+19
+0 1447	3.2556703	1.6226188	1.3827153	3.2434	73.33	-0.24533	0.06262	0.30795	988.2314	0.156541	-422.49876	-422.491061	-422.490117	-422.530261	31.057
+C	-0.0633301596	 0.6704282983	-1.3909442876	-0.476902
+C	 1.4544181094	 0.816228361	-1.4769869505	 0.326114
+C	 1.849525683	 1.5002024034	-2.7861861541	-0.453377
+C	 2.4005564242	-0.3955219845	-1.1159054237	-0.022078
+O	 3.407818868	 0.5705213105	-0.7246544944	-0.264407
+C	 2.2828518931	 1.3462569414	-0.2413907808	-0.022098
+C	 1.7617618461	 0.4537068614	 0.9208168087	 0.019488
+O	 2.7124684186	-0.5203177163	 1.3543744593	-0.226892
+C	 1.8500245993	-0.8522925612	 0.2651040033	 0.019484
+H	-0.4020003323	 0.1869013002	-0.4734004295	 0.118575
+H	-0.5416024704	 1.6546521791	-1.4490081593	 0.120483
+H	-0.4353466916	 0.0830806483	-2.237965116	 0.120483
+H	 1.496243011	 0.9182924212	-3.6450587641	 0.112658
+H	 1.3892335579	 2.4924070866	-2.8550164566	 0.112653
+H	 2.9316805896	 1.612956059	-2.8643411302	 0.139585
+H	 2.7384584215	-1.1356963173	-1.8414318811	 0.082157
+H	 2.4995053022	 2.40018507	-0.0661171344	 0.082157
+H	 1.0050466257	 0.7670574209	 1.6305532578	 0.105958
+H	 1.1708386742	-1.6861722322	 0.3988343131	 0.105958
+19
+0 1448	2.8269515	1.8778906	1.4752055	2.9045	73.35	-0.24638	0.07626	0.32264	942.8799	0.15803	-422.519702	-422.512409	-422.511464	-422.550855	30.409
+C	-0.1251260564	-0.1275143847	-0.0133841378	-0.435453
+C	 1.2556649152	 0.261764216	 0.5153165152	 0.447238
+O	 1.5653828758	-0.761326033	 1.4145187332	-0.492945
+C	 1.4040258087	 1.7763786071	 0.939014863	-0.149054
+C	 1.5370269897	 2.0793735141	-0.5990726414	-0.237879
+C	 2.2936690649	 0.7000146504	-0.5919370411	-0.149023
+C	 3.5283058728	 1.162412301	 0.2114558407	 0.038213
+O	 3.6428929116	 0.7146784568	 1.5841055497	-0.283232
+C	 2.8994293695	 1.9232662828	 1.2936711246	 0.038227
+H	-0.8116162573	-0.2052070057	 0.8346322429	 0.12661
+H	-0.5517106412	 0.5599471019	-0.7426528363	 0.110888
+H	-0.0548466621	-1.1191837873	-0.4695732893	 0.126563
+H	 2.4397276371	-0.548950349	 1.7731540571	 0.293546
+H	 0.675359346	 2.2732308639	 1.5791394721	 0.067125
+H	 0.60262902	 2.0984929858	-1.1555389711	 0.109496
+H	 2.1389726009	 2.9524328092	-0.8630942496	 0.099109
+H	 2.4613014982	 0.1124032613	-1.4942620769	 0.067121
+H	 4.4673688136	 1.4129770819	-0.2694324007	 0.111726
+H	 3.2989953628	 2.8265538675	 1.7412132955	 0.111725
+19
+0 1449	2.8039036	1.832444	1.4214233	1.9413	73.25	-0.24784	0.07518	0.32302	961.7091	0.158061	-422.50436	-422.496972	-422.496027	-422.535618	30.769
+C	-0.2372369952	-0.2572530019	 0.0629567524	-0.504933
+C	 1.2684013356	 0.0061335008	 0.0366956345	 0.492747
+O	 1.7584958069	-0.5205212748	 1.2541814864	-0.49309
+C	 2.2430835923	-0.3541828015	-1.1389791208	-0.023591
+O	 3.1929477746	 0.5907361291	-0.493357478	-0.333752
+C	 1.9543182873	 1.3834057707	-0.271058284	-0.023596
+C	 1.6211690122	 1.7990036679	-1.7079539491	-0.04059
+C	 0.5102220717	 1.1411733976	-2.4878149236	-0.316651
+C	 1.8456829737	 0.4478651588	-2.382839975	-0.0406
+H	-0.4724775769	-0.7645124447	 0.9998003919	 0.137899
+H	-0.8196174254	 0.6666697944	 0.0247770939	 0.130089
+H	-0.5589398754	-0.9016474962	-0.7589400065	 0.130092
+H	 2.7116105405	-0.3526214244	 1.2351826651	 0.281488
+H	 2.649622546	-1.358595336	-1.2608840377	 0.08284
+H	 2.0660199411	 2.1530756383	 0.493212987	 0.082841
+H	 2.071303752	 2.7098300741	-2.0843323621	 0.100555
+H	-0.3822029787	 0.7595269549	-2.0205859425	 0.122242
+H	 0.3192238226	 1.593644889	-3.4572268255	 0.115455
+H	 2.4644330151	 0.3438602442	-3.2661394866	 0.100556
+19
+0 1450	3.1699574	1.4791777	1.1593451	3.2578	75.81	-0.2437	0.07018	0.31388	1094.4225	0.154438	-422.457615	-422.449121	-422.448177	-422.49003	33.052
+C	 0.983723574	 2.5988916685	 1.2052603993	-0.462065
+C	 2.2036463168	 1.7801367612	 0.7922583554	 0.345746
+C	 2.7435020204	 0.9712615818	 1.9693519977	-0.479655
+C	 3.201733145	 2.5095984054	-0.1772242936	-0.121658
+O	 2.1527044377	 2.483387668	-1.2284688886	-0.310383
+C	 2.1172475214	 1.1233767337	-0.6322981611	-0.12165
+C	 3.6514362603	 1.1432181703	-0.7178269723	 0.566576
+C	 4.7814026123	 0.229718944	-0.6282448438	-0.312545
+O	 4.4257235169	 0.9103087305	-1.853663045	-0.281227
+H	 1.2437502317	 3.284914595	 2.0192071723	 0.112492
+H	 0.5945059532	 3.177881993	 0.3683139352	 0.143258
+H	 0.1916092109	 1.9398076814	 1.5779758161	 0.112489
+H	 1.9682119197	 0.2968347927	 2.3495918106	 0.122393
+H	 3.6185045904	 0.3696651564	 1.7204712433	 0.123204
+H	 3.018226206	 1.641073654	 2.7917746154	 0.122386
+H	 3.7604246155	 3.4361821638	-0.0438905785	 0.097272
+H	 1.3954566745	 0.4132357062	-1.0362669409	 0.097275
+H	 5.7145438821	 0.555747664	-0.1708197171	 0.123044
+H	 4.6170358412	-0.84696944	-0.6313202744	 0.123047
+19
+0 1451	3.1747933	1.49003	1.1757428	2.5894	75.61	-0.25028	0.06963	0.31991	1070.5441	0.155646	-422.483884	-422.475613	-422.474669	-422.515954	32.886
+C	 0.2198657395	-0.4815156702	 0.2475535947	-0.482908
+C	 1.4741157967	 0.3606575618	 0.4364851224	 0.477667
+O	 2.4267729712	-0.3750207744	 1.1806405729	-0.483342
+C	 1.346764487	 1.8968919308	 0.7797846956	-0.240542
+C	 2.8206744232	 2.042852046	 0.2678830623	-0.240287
+C	 2.1277827078	 1.097064106	-0.775726088	-0.212511
+C	 0.9569522755	 2.0876069812	-0.6917645841	 0.553404
+C	-0.2428412775	 2.3943016097	-1.4549899489	-0.326252
+O	 0.8689221723	 3.3168288065	-1.3712398111	-0.304452
+H	-0.2287949557	-0.7150551384	 1.2217410237	 0.107222
+H	-0.5422859801	 0.0170939855	-0.3528297492	 0.128772
+H	 0.4793731442	-1.4299123797	-0.2326982331	 0.129318
+H	 2.003199962	-0.6684775389	 1.9938085225	 0.277526
+H	 0.8913626583	 2.3518733877	 1.660268626	 0.071384
+H	 3.0973650271	 3.030592325	-0.1006336684	 0.112657
+H	 3.5904952061	 1.5888211519	 0.8854838793	 0.117881
+H	 2.5648634371	 0.641676078	-1.6642166277	 0.079142
+H	-0.39937755	 1.9492210553	-2.437121679	 0.118308
+H	-1.1504910845	 2.7196666762	-0.9473898098	 0.117013
+19
+0 1452	3.1755822	1.5053137	1.177153	1.7819	76.69	-0.23275	0.06902	0.30177	1085.8674	0.154646	-422.467248	-422.458703	-422.457758	-422.499627	33.607
+C	-0.001656752	-0.2771369789	 0.1001662981	-0.486347
+C	 1.3311285502	 0.3385475925	 0.4865785425	 0.440114
+O	 2.0753608085	-0.4982295509	 1.3348980507	-0.473132
+C	 1.3701457021	 1.8942189333	 0.7506573644	-0.135905
+O	 1.1242925618	 2.079671877	-0.7000937819	-0.31101
+C	 2.1743181767	 1.0349541187	-0.625551309	-0.108637
+C	 2.872687395	 1.8820384528	 0.4473564606	 0.488845
+C	 4.1192575016	 1.7728191552	 1.2446124783	-0.33588
+C	 3.8719612074	 2.9785470779	 0.3440550626	-0.3742
+H	-0.6202848845	-0.4372545796	 0.9929214391	 0.106038
+H	-0.5459689809	 0.3735228767	-0.583291507	 0.149666
+H	 0.1575733252	-1.2505659093	-0.3750929722	 0.123337
+H	 1.4629895542	-0.9397399462	 1.9314583831	 0.281966
+H	 0.7964219117	 2.5125389217	 1.4434398043	 0.085202
+H	 2.5577032532	 0.6318315181	-1.5641847679	 0.089453
+H	 4.0563477119	 1.9131070099	 2.3187395862	 0.112853
+H	 4.8634594631	 1.0454874161	 0.9378415055	 0.117661
+H	 3.6459807712	 3.9302203858	 0.8142682313	 0.114564
+H	 4.4544689937	 3.0625765192	-0.5677805687	 0.11541
+19
+0 1453	2.8209541	1.4134273	1.1084175	1.9219	76.39	-0.24076	-0.03094	0.20982	1133.575	0.153742	-422.490786	-422.481696	-422.480752	-422.524716	33.533
+O	 1.1608733907	 0.2385832499	 0.1560481114	-0.249695
+C	 0.0837188109	-0.3038871542	 0.1354405284	 0.096057
+C	-1.1068076042	 0.2159755558	-0.6224288439	-0.046172
+C	-2.5752939456	 0.3942300061	-0.1181776304	-0.03607
+O	-2.7988107914	 1.2244277326	-1.3213082612	-0.304145
+C	-1.5147970213	 1.7039414461	-0.7489361767	-0.016813
+C	-2.1959538707	 1.6940835615	 0.6710874481	 0.347898
+C	-1.3776972121	 1.6075698157	 1.9561985354	-0.486602
+C	-3.3225768557	 2.7123598348	 0.846835712	-0.458078
+H	-0.0701991146	-1.2934412497	 0.6269275406	 0.079445
+H	-1.1129719247	-0.2832167698	-1.5994445867	 0.121311
+H	-3.3223097969	-0.3689402212	 0.1078512001	 0.094418
+H	-1.0028013166	 2.5134119081	-1.2694218376	 0.102672
+H	-0.8657284867	 2.5575222546	 2.1436262394	 0.13157
+H	-2.0478816861	 1.4272972873	 2.8038369991	 0.120375
+H	-0.6187418728	 0.8264063916	 1.9707235816	 0.133932
+H	-3.986036783	 2.4096827211	 1.6647902032	 0.112861
+H	-2.9083244355	 3.6910291072	 1.113891621	 0.115153
+H	-3.9124909238	 2.8153896924	-0.0627827538	 0.141881
+19
+0 1454	2.8466259	1.5060732	1.1794072	3.0133	76.64	-0.23378	0.00046	0.23423999999999998	1086.41	0.155203	-422.520198	-422.511564	-422.51062	-422.553093	33.117
+C	-2.6412710391	-0.6969585857	-0.1793325036	-0.472282
+C	-1.1659985555	-0.3718239343	-0.3681517718	 0.454843
+O	-0.5206703079	-0.4544933292	 0.8953119675	-0.467877
+C	-0.3691781603	-0.9257651497	-1.6056724978	-0.12427
+C	-1.0933431579	 0.1520691069	-2.4647746766	-0.250553
+C	-0.6884974307	 0.8868201743	-1.1524356252	-0.117344
+C	 0.6961785277	 0.1726494796	-1.3046327914	-0.050736
+C	 1.6601607636	-0.00448087	-0.1545343657	 0.123418
+O	 2.3517388074	-0.9860856176	-0.023542693	-0.283163
+H	-3.0698315194	-0.0269262317	 0.5716007575	 0.132368
+H	-3.2321600518	-0.6178988156	-1.092686362	 0.124014
+H	-2.7482200158	-1.7219500263	 0.1952781148	 0.113919
+H	-0.4424838974	-1.381192731	 1.1491491327	 0.288717
+H	-0.1780553585	-1.968233959	-1.8624599583	 0.082309
+H	-0.5636432903	 0.4689481069	-3.3651665549	 0.102031
+H	-2.1551966588	 0.0190647612	-2.6671574553	 0.099624
+H	-0.8739302489	 1.9289314393	-0.8881280896	 0.07772
+H	 1.2672641351	 0.4959046738	-2.183715532	 0.093931
+H	 1.7683782986	 0.8740867581	 0.5182611748	 0.073329
+19
+0 1455	2.6848745	1.6624873	1.5358109	1.5556	74.69	-0.23552	-0.00124	0.23428000000000002	971.329	0.157439	-422.553627	-422.545785	-422.54484	-422.585204	31.785
+C	-0.205044948	-0.068049715	 0.0653676029	-0.462261
+C	 1.303097302	-0.0947293847	-0.0275852628	 0.467969
+O	 1.7742541898	-0.854613786	 1.068335068	-0.496082
+C	 2.061422789	-0.4958734934	-1.328341509	 0.013339
+C	 1.475399046	 0.0931997793	-2.618374729	-0.278456
+C	 1.25352117	 1.5786820249	-2.4272852112	-0.070611
+C	 1.5663898725	 2.1257779435	-1.2523831765	-0.053063
+C	 2.1619117054	 1.2002838296	-0.2201780567	-0.036093
+O	 3.1666333343	 0.3555286403	-0.8842139569	-0.325214
+H	-0.5064216665	 0.3269731797	 1.0403675055	 0.12806
+H	-0.6504271489	 0.5491033168	-0.7154030807	 0.124392
+H	-0.5991300953	-1.0859917725	-0.0148314678	 0.125533
+H	 2.7370057635	-0.8697674503	 0.993812632	 0.285991
+H	 2.3581283428	-1.5449309086	-1.4221625268	 0.075953
+H	 2.1577882761	-0.0916940588	-3.4586799491	 0.11864
+H	 0.5337556344	-0.4134493863	-2.8707718901	 0.112617
+H	 0.85143493	 2.1594597013	-3.2520294893	 0.097772
+H	 1.415785314	 3.1758098825	-1.0266365887	 0.095552
+H	 2.557187399	 1.6893628279	 0.6728367261	 0.075961
+19
+0 1456	2.1146586	1.8463149	1.4284213	0.6603	74.5	-0.25126	0.07096	0.32221999999999995	1018.4403	0.154391	-422.497171	-422.488436	-422.487492	-422.529919	33.372
+C	-0.1555832394	-0.1653738712	-0.1903553928	-0.451093
+C	 1.365286867	-0.0839268109	-0.124924756	 0.167514
+C	 1.964049585	-0.9948021899	 0.9462305518	-0.435249
+C	 2.1024146023	-0.2233569501	-1.4850732302	 0.00515
+O	 1.6683540027	 0.8432009731	-2.3337833223	-0.248717
+C	 2.7073777927	 1.1144275462	-1.3763819892	-0.103347
+C	 1.9927390526	 1.3491484408	-0.0568562934	 0.421728
+C	 1.5453015633	 2.5891655574	 0.569282044	-0.263649
+O	 2.6493407228	 1.829410883	 1.0994195566	-0.27775
+H	-0.6056883551	 0.1673847573	 0.7515869804	 0.114339
+H	-0.5398787202	 0.4625909193	-0.9978027029	 0.133899
+H	-0.4851898099	-1.19567217	-0.3663566725	 0.113683
+H	 1.66064928	-2.0338605981	 0.7787451208	 0.112635
+H	 3.0575072679	-0.9516166759	 0.9466999228	 0.123048
+H	 1.6235200111	-0.6944153699	 1.9411843855	 0.128716
+H	 2.4740496655	-1.1249096841	-1.9599377988	 0.10455
+H	 3.6475164096	 1.5142609265	-1.7377449752	 0.115092
+H	 1.8086586835	 3.5491665848	 0.1280721317	 0.120364
+H	 0.6489346086	 2.5900738517	 1.1874611697	 0.119087
+19
+0 1457	2.0919974	1.8754001	1.4220239	2.9273	75.16	-0.24957	0.06871	0.31828	1018.3557	0.154849	-422.503149	-422.494477	-422.493533	-422.535744	33.705
+C	-0.1819043796	-0.3502405983	-0.1044095254	-0.456975
+C	 1.3076576802	-0.0366092712	-0.1090188223	 0.303342
+O	 1.9612179577	-0.6593615884	 0.9827523295	-0.46378
+C	 2.1049230059	-0.224925969	-1.4256616874	-0.102566
+C	 1.7022189312	 0.767235086	-2.479383335	-0.308293
+C	 2.6101109156	 1.217978596	-1.3646663485	-0.147152
+C	 1.7730333769	 1.4485464431	-0.123831141	 0.450876
+C	 1.1234446177	 2.6645947621	 0.371552865	-0.272868
+O	 2.2589483354	 2.0809376553	 1.0331213009	-0.271823
+H	-0.6271327194	-0.0448394031	 0.8474533817	 0.129811
+H	-0.710513009	 0.1574052029	-0.9157968479	 0.11829
+H	-0.3465788982	-1.4284634265	-0.2246994789	 0.107089
+H	 1.800260913	-1.6068825845	 0.9125429534	 0.275925
+H	 2.6633670304	-1.1244522502	-1.6568716596	 0.086355
+H	 2.1805541862	 0.6353134831	-3.4448877193	 0.117677
+H	 0.6831521767	 1.1407230271	-2.5426840086	 0.108862
+H	 3.604731728	 1.6124951516	-1.5275947862	 0.10061
+H	 1.3089007436	 3.615871976	-0.126007876	 0.112432
+H	 0.1861447778	 2.6001356279	 0.9226307856	 0.11219
+19
+0 1458	2.1139544	1.8365207	1.4247062	1.8274	74.94	-0.25176	0.05952	0.31128	1018.6671	0.154467	-422.503373	-422.494552	-422.493608	-422.536215	33.989
+C	-0.0916545734	 0.0342105344	 0.0093221347	-0.45854
+C	 1.4263717372	-0.0031336602	 0.0169249101	 0.265602
+O	 1.9376186851	-1.185631577	 0.6012073614	-0.47164
+C	 2.1393891725	 0.1836341334	-1.3448707873	 0.017834
+O	 1.7701345546	 1.4653054474	-1.8527762577	-0.252454
+C	 2.8313707355	 1.3927075248	-0.8792358607	-0.091797
+C	 2.1784923452	 1.2961207718	 0.4814949114	 0.33892
+C	 2.8495885748	 1.4782679549	 1.8051244629	-0.324938
+C	 1.7300670763	 2.404647826	 1.3836075593	-0.33169
+H	-0.4861571397	 0.1178251797	 1.0302131411	 0.103301
+H	-0.4446904026	 0.8962000556	-0.5610653119	 0.142689
+H	-0.4920142564	-0.8821040405	-0.4352646541	 0.122355
+H	 1.5598527362	-1.2739469895	 1.4825932188	 0.278641
+H	 2.4344465534	-0.591357709	-2.0426754017	 0.107295
+H	 3.7913664845	 1.8119570565	-1.158294753	 0.105343
+H	 2.6522298013	 0.7450382726	 2.5813928695	 0.101993
+H	 3.8638418142	 1.8647593653	 1.817621569	 0.116892
+H	 0.7699144613	 2.2994471455	 1.8795850419	 0.1125
+H	 1.9760632102	 3.4252486285	 1.1085071664	 0.117695
+19
+0 1459	2.3257024	1.4419254	1.1494415	2.6402	75.65	-0.25026	-0.0316	0.21865999999999997	1138.2532	0.154049	-422.528803	-422.519669	-422.518725	-422.56266	33.846
+C	-0.0104062983	 0.1905892128	 0.1417569802	-0.456
+C	 1.4784994289	-0.1259561915	-0.0097408832	 0.263234
+C	 1.9402124483	-1.1771966276	 0.9930276277	-0.444811
+C	 1.8570845698	-0.3999998054	-1.4850978801	-0.002023
+O	 3.2795151436	-0.5017058179	-1.5729619166	-0.244655
+C	 2.6942939543	 0.803073434	-1.5595950424	 0.007444
+C	 2.4323196467	 1.1685636632	-0.0842432025	-0.165081
+C	 1.750574436	 2.4863083062	 0.1523186422	 0.147757
+O	 1.9447187321	 3.1856993504	 1.1154601983	-0.256654
+H	-0.2226256987	 0.6445541173	 1.1149145875	 0.136507
+H	-0.3753252117	 0.8696238736	-0.6355248847	 0.117872
+H	-0.594187855	-0.7335693484	 0.0703520645	 0.121049
+H	 1.8457549151	-0.8045287948	 2.0185210175	 0.124118
+H	 1.3311024584	-2.0848554642	 0.9097944277	 0.11467
+H	 2.9843081012	-1.4455195241	 0.8162591996	 0.138027
+H	 1.2729601615	-0.9132954225	-2.2418376708	 0.104451
+H	 2.9289771163	 1.4609477027	-2.3886277311	 0.115309
+H	 3.3129657959	 1.105149498	 0.5584632791	 0.104019
+H	 1.0299426056	 2.800827628	-0.6369220628	 0.074768
+19
+0 1460	2.4673602	1.5588391	1.2061184	2.7481	75.41	-0.25435	-0.03615	0.2182	1089.4252	0.154895	-422.541366	-422.532618	-422.531674	-422.574349	33.568
+C	-0.9082936124	-0.1122955836	-2.8813431206	-0.441442
+C	 0.252060289	 0.6893403916	-2.3061031512	 0.380321
+O	-0.2103849163	 1.677250125	-1.4102248237	-0.478185
+C	 1.2272536925	 1.3855656951	-3.2738123379	-0.046233
+C	 2.0434559216	 0.4143950583	-4.0790778851	-0.306677
+C	 2.4224671955	 0.6738783061	-2.6491630017	-0.070301
+C	 1.4825149646	-0.1192074579	-1.724550963	-0.167663
+C	 1.7238390912	-0.01915976	-0.2464206096	 0.146723
+O	 0.8576596193	 0.1190506686	 0.5874770369	-0.269573
+H	-1.4201584815	-0.6639518764	-2.0849515893	 0.118468
+H	-1.6312380242	 0.5673962626	-3.3418720265	 0.127121
+H	-0.5764819533	-0.833593379	-3.6343528183	 0.108212
+H	-0.3485604765	 1.2488138356	-0.5533536285	 0.292333
+H	 1.1209132764	 2.4280735903	-3.5465038812	 0.097244
+H	 1.6435921537	-0.5529461135	-4.3744228044	 0.108122
+H	 2.6881269608	 0.8688013416	-4.8246031818	 0.118667
+H	 3.3861597992	 1.0766939509	-2.3603630844	 0.090268
+H	 1.4711370682	-1.1987683334	-1.9444070895	 0.100883
+H	 2.7886311724	-0.1198643019	 0.0629712299	 0.091713
+19
+0 1461	2.4727643	1.7607692	1.5494328	3.1384	73.14	-0.25825	0.05713	0.31538	973.7177	0.156124	-422.527655	-422.519589	-422.518645	-422.559597	31.749
+C	 2.0670997853	 1.3716408932	 0.097381596	-0.43767
+C	 1.4401556084	-0.0297707176	 0.0286219103	 0.210771
+C	-0.092860799	 0.0335913915	-0.0042149306	-0.423116
+C	 1.9562613388	-0.8595138156	 1.2184838475	 0.010983
+O	 1.5072303397	-2.2126267535	 1.280142813	-0.241548
+C	 2.808960268	-1.9632360126	 0.746009903	 0.000143
+C	 2.8439218939	-1.9043679068	-0.7725565226	 0.000144
+O	 1.5685606317	-2.1093641209	-1.383636811	-0.241548
+C	 2.0118713724	-0.765878693	-1.1968944831	 0.010984
+H	 1.7349497352	 1.902642903	 0.9954202242	 0.120561
+H	 3.1614833173	 1.3230619676	 0.1206912712	 0.117847
+H	 1.7756171243	 1.9711266656	-0.7711890953	 0.120561
+H	-0.4826851635	 0.5282352083	 0.8918049125	 0.110674
+H	-0.4419816196	 0.5967693612	-0.8762427255	 0.110674
+H	-0.5061852803	-0.9756972526	-0.0528531745	 0.151634
+H	 2.0845923758	-0.3711188112	 2.1838451681	 0.090881
+H	 3.6454792627	-2.3751339485	 1.3030856134	 0.098573
+H	 3.7058931328	-2.273414955	-1.3207971373	 0.098572
+H	 2.1835587661	-0.2044851734	-2.1146534495	 0.090881
+19
+0 1462	2.4666555	1.7453317	1.5264356	1.8239	73.23	-0.25653	0.07282	0.32935	974.2926	0.15655	-422.538851	-422.53075	-422.529806	-422.570769	32.324
+C	-0.0721291664	-0.0219966926	-0.1579529318	-0.436113
+C	 1.440533535	 0.0012549977	 0.0617350986	 0.336384
+O	 2.1266746904	-0.5735579342	-1.053597119	-0.475888
+C	 1.9084592707	-0.6889913974	 1.3602612637	-0.08674
+C	 1.5161522718	-0.1710120076	 2.7196460969	-0.305081
+C	 2.8391481	 0.2381619287	 2.1149092865	-0.0646
+C	 2.8432659096	 1.5462804523	 1.3544973299	 0.028142
+O	 1.5537879239	 2.1824656817	 1.2641915906	-0.264387
+C	 2.0159415125	 1.4194993165	 0.1480327665	 0.022247
+H	-0.589351661	 0.520855784	 0.6367285786	 0.137059
+H	-0.3222045551	 0.4387117741	-1.1183931826	 0.121444
+H	-0.4467103125	-1.0525575671	-0.1623199847	 0.104873
+H	 1.7554797431	-1.4485320774	-1.2082510688	 0.278304
+H	 2.1340741983	-1.7466679556	 1.2660987312	 0.077107
+H	 0.7511330972	 0.5904659827	 2.8001725043	 0.135933
+H	 1.5446403805	-0.884102383	 3.5366928978	 0.106771
+H	 3.7703777407	-0.1008822536	 2.5518787093	 0.086919
+H	 3.6873381962	 2.2252521407	 1.4305775799	 0.097535
+H	 2.1746788852	 1.9649762101	-0.7792893869	 0.100092
+19
+0 1463	2.2609181	1.796906	1.4047622	4.0371	74.04	-0.26522	0.01162	0.27684000000000003	1018.8416	0.156602	-422.595026	-422.586556	-422.585611	-422.627607	32.593
+C	-0.4294208755	 2.1867247184	-1.3669992061	-0.41753
+C	-0.7953763251	 1.3020536365	-0.1679073581	 0.107533
+C	-0.5873771336	 2.0769018795	 1.149770678	-0.429399
+C	-2.1854194484	 0.6838601306	-0.208311712	-0.081762
+C	-2.5219649567	-0.3012714378	-1.3137277569	-0.342769
+C	-1.9900592461	-0.7913430578	-0.0014480568	 0.087613
+O	-0.6035593919	-1.0785073261	 0.0296959295	-0.222304
+C	 0.1277436209	 0.0649843926	-0.1280850201	 0.4186
+O	 1.3208781709	 0.05002684	-0.2119773251	-0.347208
+H	-0.6242844234	 1.6818385204	-2.3171434282	 0.119072
+H	-1.0128722021	 3.1124290239	-1.3489207008	 0.114721
+H	 0.633310268	 2.441169886	-1.3311494472	 0.141308
+H	-0.8519760288	 1.4666473972	 2.0189826028	 0.124002
+H	 0.4580520993	 2.3799138115	 1.2497250511	 0.141105
+H	-1.2127598826	 2.9754991468	 1.1602067241	 0.118179
+H	-2.9985415388	 1.2112045846	 0.2765626607	 0.097939
+H	-3.573791181	-0.4624587977	-1.5227676812	 0.124775
+H	-1.8705373827	-0.3797690799	-2.1783906001	 0.130718
+H	-2.5573530326	-1.4151448887	 0.6766831164	 0.115408
+19
+0 1464	2.2209516	1.775975	1.3984142	2.8409	74.13	-0.2443	-0.01985	0.22444999999999998	1023.7927	0.155593	-422.581119	-422.57239	-422.571445	-422.614163	33.056
+C	-0.4663473265	 2.231582073	 1.2556726352	-0.425589
+C	-0.7994289319	 1.2814114188	 0.0992372693	 0.13576
+C	-0.589988301	 1.9679488618	-1.2653865917	-0.435262
+C	-2.1927817253	 0.6852866889	 0.1912664498	 0.022055
+O	-2.387348295	-0.1369119549	 1.3485739853	-0.267247
+C	-2.1477340243	-0.7840714252	 0.0905699182	 0.032758
+C	-0.7205718863	-1.2498311432	-0.0558469809	-0.358031
+C	 0.1117764143	 0.0268841596	 0.1541527891	 0.381656
+O	 1.3029614067	 0.060179341	 0.3144750681	-0.320485
+H	-0.7188751253	 1.7719885699	 2.2146998268	 0.135828
+H	 0.6032374825	 2.4579517881	 1.2513451385	 0.136188
+H	-1.0238144536	 3.1693677268	 1.1630105004	 0.109358
+H	-0.8201502293	 1.2976135957	-2.1007199492	 0.116185
+H	-1.2362443401	 2.8477203524	-1.3527904493	 0.121155
+H	 0.449048185	 2.2924959396	-1.366262542	 0.141296
+H	-3.0582615119	 1.2660603012	-0.1206958237	 0.095628
+H	-2.9750847717	-1.3705647961	-0.2991664533	 0.102181
+H	-0.4320532805	-2.0154455249	 0.6696044969	 0.144712
+H	-0.5221485759	-1.6528585124	-1.0570352275	 0.131854
+19
+0 1465	2.2114559	1.7605715	1.407609	3.637	74.4	-0.23201	-0.02438	0.20762999999999998	1021.71	0.155957	-422.58241	-422.573674	-422.57273	-422.61531	33.598
+C	-0.3692179194	 2.3087979985	-1.2013499135	-0.414231
+C	-0.7824289925	 1.2570892649	-0.1890040175	 0.295166
+O	-0.5522818866	 1.8221215263	 1.1116828369	-0.468204
+C	-2.2001609378	 0.728860696	-0.2838822348	-0.096878
+C	-2.529999851	-0.2399248741	-1.3912419402	-0.30654
+C	-2.1934890928	-0.7750291185	-0.0239227146	-0.053466
+C	-0.7588597088	-1.2322285126	 0.1703572113	-0.340366
+C	 0.0904100364	-0.0322536193	-0.2756274575	 0.346436
+O	 1.2411918988	-0.0667803788	-0.6197129679	-0.312417
+H	-0.5668898482	 1.9655029562	-2.2200528289	 0.117369
+H	-0.9227222934	 3.2348786177	-1.0252257276	 0.118991
+H	 0.7009178757	 2.5070516248	-1.1051738312	 0.143526
+H	-1.0032697315	 1.2706287912	 1.760695655	 0.281241
+H	-2.9882987378	 1.3651380502	 0.104254147	 0.094049
+H	-3.5639470577	-0.2839804251	-1.7140057634	 0.120583
+H	-1.8126340457	-0.38592192	-2.19501936	 0.122406
+H	-2.9789124558	-1.2386152029	 0.561067842	 0.091744
+H	-0.5423637662	-1.4408164975	 1.2266071332	 0.127975
+H	-0.4785715256	-2.1246131873	-0.3962011784	 0.132617
+19
+0 1466	3.320842	1.243154	1.168438	0.9506	75.96	-0.24592	0.07308	0.319	1131.4266	0.155216	-422.505427	-422.496863	-422.495919	-422.538016	33.44
+C	-0.0417695996	-0.4473948909	-0.2042779641	-0.466187
+C	 1.3356823038	 0.1040530516	 0.0863342643	 0.407734
+O	 1.7878849577	-0.1817764996	 1.3895672672	-0.473427
+C	 1.8442125577	 1.4449779935	-0.3372342685	-0.089845
+C	 1.3302856823	 1.8551844987	-1.724181296	-0.351409
+C	 1.977289069	 0.5705224788	-2.2836361364	 0.448494
+C	 2.5996642083	 0.364193882	-3.5896275318	-0.266672
+O	 1.3778853183	-0.3003779589	-3.2361231988	-0.278955
+C	 2.4689727682	 0.150195108	-0.9237094141	-0.228585
+H	-0.7709659261	-0.0342902257	 0.5001472161	 0.122831
+H	-0.3702998524	-0.2357089485	-1.2230442172	 0.144728
+H	-0.0403144075	-1.5382855546	-0.0884724774	 0.109451
+H	 1.8540482437	-1.1397589459	 1.471063692	 0.280971
+H	 2.2838769778	 2.1111051794	 0.3932252594	 0.100727
+H	 0.2474053301	 1.9487639711	-1.845057644	 0.111435
+H	 1.8089060321	 2.7611819674	-2.1043571905	 0.113235
+H	 2.5114807712	 1.1319051681	-4.3582179117	 0.112801
+H	 3.4718591487	-0.2829919583	-3.6801937781	 0.114083
+H	 3.4227771767	-0.3115070164	-0.6971971504	 0.088589
+19
+0 1467	3.4747799	1.2403046	1.1640216	0.5512	76.04	-0.21837	0.06843	0.2868	1136.594	0.154559	-422.492599	-422.483921	-422.482976	-422.525247	33.909
+C	-0.1209353164	-0.0415357516	 0.0054100044	-0.461456
+C	 1.386135627	-0.0433924438	-0.0400005401	 0.36026
+O	 2.0157063105	-0.7504971979	 1.0011826257	-0.464408
+C	 2.1828836485	-0.0619334222	-1.3195592978	 0.003931
+O	 1.5364288523	 0.6756800266	-2.3647541244	-0.314158
+C	 1.6644193975	 1.881453622	-1.5833756905	 0.463924
+C	 0.6980167828	 3.0111581084	-1.7017236275	-0.334991
+C	 2.1291091481	 3.1522338893	-2.2097667636	-0.345098
+C	 2.2498605218	 1.1501597483	-0.4054819693	-0.266175
+H	-0.4816319508	 0.4545976338	 0.9117450663	 0.122482
+H	-0.5379987745	 0.4608468095	-0.8685376514	 0.144751
+H	-0.4986284327	-1.0718810837	 0.0104837003	 0.103897
+H	 1.7747960307	-1.6795981731	 0.9110176157	 0.283758
+H	 2.9145283565	-0.8144359449	-1.5913146625	 0.105051
+H	-0.0827558193	 2.915411398	-2.4486716684	 0.125709
+H	 0.4057369643	 3.544722182	-0.8035607335	 0.119988
+H	 2.280645778	 3.1434418231	-3.2835691	 0.126742
+H	 2.818957276	 3.7795673301	-1.6545474612	 0.117338
+H	 3.0411418797	 1.4983756959	 0.2442886077	 0.108458
+19
+0 1468	2.6057909	2.0402592	1.5503045	0.2802	73.1	-0.23854	0.06213	0.30067	925.8674	0.157011	-422.511674	-422.504134	-422.503189	-422.543047	30.493
+C	 1.9637470072	 1.6046840054	 0.1151054054	-0.453688
+C	 1.3527249718	 0.2038781686	 0.0320050373	 0.325358
+C	-0.1761020557	 0.2728913329	 0.0110030763	-0.453718
+C	 1.9100575316	-0.7813556092	 1.0979462363	-0.013651
+O	 3.3543226274	-0.6508733039	 0.9353417574	-0.286702
+C	 3.1634910718	-1.3359016395	-0.2999735141	 0.055127
+C	 1.9512961315	-2.1141809526	 0.2011497088	 0.055142
+O	 1.2058219191	-1.9112368984	-0.9966635961	-0.286705
+C	 1.9514722461	-0.6622104693	-1.1120874779	-0.013659
+H	 1.6151438429	 2.1273737645	 1.0124865135	 0.113934
+H	 3.0533763674	 1.5705868529	 0.1481344396	 0.134619
+H	 1.6560885772	 2.2004388806	-0.7516350222	 0.109989
+H	-0.5425929282	 0.7565704615	 0.9234498152	 0.109994
+H	-0.5258909397	 0.8688414055	-0.8390026942	 0.113932
+H	-0.6258114465	-0.717788068	-0.0655149705	 0.134617
+H	 1.5744465789	-0.7267247572	 2.1324442933	 0.080337
+H	 4.0574979794	-1.7043285489	-0.7990958999	 0.097366
+H	 1.9079835519	-3.1077593083	 0.6427786372	 0.097368
+H	 2.0107545759	-0.2744346766	-2.1279225655	 0.080339
+19
+0 1469	2.632983	2.0271291	1.5517471	2.2762	73.1	-0.23903	0.06899	0.30801999999999996	919.8056	0.158319	-422.52755	-422.520371	-422.519427	-422.558544	29.999
+C	-0.1433349263	 0.1066426666	-0.104144647	-0.455221
+C	 1.3627278142	-0.011867632	 0.0751934705	 0.475276
+O	 1.73671417	 0.9780256776	 1.0090673563	-0.501999
+C	 2.2506299369	 0.0124584052	-1.2057519004	-0.152593
+C	 1.7242835576	-1.1820741278	-2.0404202721	-0.266016
+C	 2.2960109269	-2.0352392067	-0.8938134759	-0.070458
+C	 3.3893830835	-0.9752964448	-0.6591974657	 0.098026
+O	 3.2950236458	-1.0797315011	 0.7754449915	-0.313561
+C	 1.8931890728	-1.4148823736	 0.4996652566	-0.002918
+H	-0.6107693206	 0.1228496303	 0.8842941289	 0.128156
+H	-0.3970038385	 1.0437611456	-0.6087746501	 0.126427
+H	-0.5727985399	-0.720725963	-0.6720737473	 0.115676
+H	 2.6186062344	 0.7149775422	 1.312437565	 0.281613
+H	 2.4626855815	 0.9892019203	-1.6361810988	 0.073643
+H	 0.6635388758	-1.2210836732	-2.2909181289	 0.103798
+H	 2.3120017497	-1.3432885876	-2.9492799539	 0.104431
+H	 2.488818652	-3.1054026914	-0.9434323205	 0.081363
+H	 4.3983087497	-0.958730875	-1.0674822234	 0.091244
+H	 1.4087679345	-1.9616040815	 1.3077470451	 0.083112
+19
+0 1470	2.8981446	1.6398031	1.6306265	2.9856	74.05	-0.23206	0.07109	0.30315	948.7528	0.156926	-422.515444	-422.507717	-422.506773	-422.546958	31.089
+C	 0.060415582	-0.0470472852	 0.0171063101	-0.46016
+C	 1.5857855849	-0.1047425056	 0.0229719318	 0.419944
+O	 2.0808982409	-0.7921123582	 1.1476702436	-0.468098
+C	 2.1501936568	-0.487413248	-1.3845293425	-0.132596
+C	 3.6873705416	-0.6804287051	-1.3595624964	-0.249952
+C	 3.8592668662	 0.8539932012	-1.2683039177	 0.100793
+O	 3.6131168366	 1.341125243	 0.0694220941	-0.296568
+C	 2.1912007771	 1.3160209101	-0.1400412052	 0.06143
+C	 2.3663506134	 1.049483829	-1.6636024955	-0.095037
+H	-0.3044894584	 0.3917770544	 0.9509616705	 0.126635
+H	-0.3197044991	 0.5494742191	-0.8185292991	 0.125123
+H	-0.3620886691	-1.0546679256	-0.0821715678	 0.108813
+H	 1.5937728795	-1.6185931774	 1.2358065218	 0.275536
+H	 1.5481622002	-1.1540968739	-2.0043294391	 0.056008
+H	 4.1082044299	-1.2690549316	-0.5415319549	 0.113884
+H	 4.0522712951	-1.0560314584	-2.3209746516	 0.095573
+H	 4.72847977	 1.3327160763	-1.7235537339	 0.076119
+H	 1.6854926759	 2.1569291707	 0.3415206412	 0.069868
+H	 1.9686111366	 1.638135855	-2.4851147693	 0.072684
+19
+0 1471	3.2265208	1.6502544	1.4200744	2.3846	73.53	-0.23569	0.07022	0.30591	967.3004	0.157869	-422.527775	-422.520378	-422.519433	-422.55893	30.537
+C	 0.015738644	 0.127076166	-0.083963779	-0.466036
+C	 1.4854054526	-0.2633578801	 0.0453939027	 0.428367
+O	 1.6503802958	-1.2516288815	 1.0445246888	-0.481318
+C	 2.2161489582	-0.461767689	-1.329760081	-0.169493
+C	 3.6311406655	-0.8604031945	-0.8750058581	-0.21397
+C	 3.8931313743	 0.5010324891	-0.19848047	 0.059656
+O	 3.858356976	 1.3931329552	-1.3563569115	-0.296488
+C	 2.4544250226	 1.1289122652	-1.3352815036	 0.100725
+C	 2.4247466026	 0.9363199827	 0.1979671474	-0.10948
+H	-0.3738746762	 0.4685695677	 0.8799675178	 0.12664
+H	-0.1398008618	 0.9201783329	-0.8205855884	 0.125308
+H	-0.57985868	-0.7368621454	-0.4052809431	 0.107837
+H	 1.0138031334	-1.9562181039	 0.882138712	 0.275589
+H	 1.7451500842	-0.9925056718	-2.1564056771	 0.059729
+H	 3.6254526797	-1.7119563726	-0.1950463413	 0.111188
+H	 4.3373246638	-1.0179507604	-1.6920126575	 0.100884
+H	 4.7587075533	 0.6467743914	 0.4450355081	 0.082189
+H	 1.8409311667	 1.7930481266	-1.9400081764	 0.085326
+H	 2.2908403452	 1.7401668621	 0.9200028202	 0.073348
+19
+0 1472	3.2320844	1.6845632	1.4328477	2.0746	74.21	-0.23691	0.07003	0.30694	964.44	0.157334	-422.522754	-422.515216	-422.514272	-422.554061	30.821
+C	-0.1514331524	-0.1044619719	 0.1552331786	-0.474292
+C	 1.3552528693	-0.0674068058	-0.011931961	 0.431512
+O	 2.0021673414	-1.0267415798	 0.8141505456	-0.483545
+C	 1.9762505462	-0.1762885151	-1.4335994558	 0.031424
+O	 1.2810641234	 0.8496882572	-2.1512303945	-0.271124
+C	 1.8046670176	 1.9719322847	-1.4081577919	 0.066937
+C	 3.3052053767	 1.9130223849	-1.7626236488	-0.246521
+C	 3.2445413992	 0.6295395019	-0.9206520225	-0.06287
+C	 2.1243783768	 1.2751472742	-0.0218433728	-0.14083
+H	-0.4387352942	 0.242835108	 1.155707731	 0.100604
+H	-0.6407250546	 0.5327615217	-0.5837402875	 0.136191
+H	-0.5181132003	-1.1290482251	 0.0368013204	 0.122605
+H	 1.8316602079	-0.7905003426	 1.7318802152	 0.278264
+H	 2.0147373909	-1.110004193	-1.9924182128	 0.080158
+H	 1.1739437438	 2.8504118767	-1.5335567525	 0.078872
+H	 3.5584557466	 1.8657877258	-2.8247196231	 0.101503
+H	 3.8892874057	 2.6851013509	-1.2541424513	 0.099483
+H	 4.1002219306	 0.0830901506	-0.5379155892	 0.086957
+H	 2.3125851954	 1.8903161267	 0.8579968129	 0.064674
+19
+0 1473	3.3760993	1.3058888	1.2661911	2.649	73.86	-0.24667	0.07482	0.32149	1070.6841	0.156766	-422.540324	-422.532191	-422.531247	-422.572395	32.072
+C	-0.1669314116	-0.0760273905	 0.2425525686	-0.463197
+C	 1.3348955184	-0.1236019981	 0.0732362452	 0.387086
+O	 1.9911964866	-0.7676000983	 1.1404681003	-0.466697
+C	 2.0248126131	-0.266017066	-1.2712829817	-0.113158
+C	 1.2473727368	 0.0205053643	-2.5579092193	-0.276243
+C	 0.9373376356	 1.5131168913	-2.4897486374	 0.05709
+O	 2.1006587065	 2.3433692666	-2.5105671839	-0.257931
+C	 1.4672838944	 2.0918346921	-1.2447887356	 0.004502
+C	 2.1575535139	 1.0201796646	-0.4577356726	-0.10865
+H	-0.4154133338	 0.364084721	 1.2132638655	 0.129733
+H	-0.6581565559	 0.5104340147	-0.5362148226	 0.124928
+H	-0.590382484	-1.0881272339	 0.2151946834	 0.108039
+H	 1.7602903501	-1.7028261937	 1.104708677	 0.279342
+H	 2.8593785555	-0.9564758265	-1.3045727101	 0.088301
+H	 1.8509939499	-0.2035665297	-3.4436182685	 0.116156
+H	 0.32317149	-0.5644156562	-2.6383108962	 0.099218
+H	 0.0678752331	 1.9206313291	-3.0006957946	 0.092777
+H	 1.0300881618	 2.9648582558	-0.765912654	 0.096184
+H	 3.0757134797	 1.2518757435	 0.0702767367	 0.10252
+19
+0 1474	3.181964	1.4078116	1.3406329	2.3374	74.19	-0.23318	0.07327	0.30645	1039.6111	0.156701	-422.513554	-422.505522	-422.504578	-422.545448	32.203
+C	-0.1160107414	 0.0441936441	 0.2443737098	-0.486007
+C	 1.380750041	 0.0066827442	 0.0298077137	 0.339601
+O	 2.0837865459	-0.6141244097	 1.0841189452	-0.456928
+C	 2.1690881574	 1.1741216931	-0.4931911149	 0.04826
+O	 1.4815981583	 2.1540594209	-1.2376272572	-0.265341
+C	 1.3196582534	 1.7345625405	-2.5778015664	 0.100078
+C	 0.2224805183	 0.7571554263	-2.9064757452	-0.335328
+C	 1.6391202449	 0.2646935833	-2.6664066478	-0.07574
+C	 2.1493280485	-0.1141501177	-1.2950079177	-0.160439
+H	-0.2916924722	 0.1105697321	 1.3222244548	 0.126195
+H	-0.5666334653	 0.9226933539	-0.2193940549	 0.145591
+H	-0.621470115	-0.8529833112	-0.1298526735	 0.11325
+H	 1.9168359155	-1.5619475459	 1.0313643975	 0.281832
+H	 3.0200777752	 1.5454544451	 0.0698620832	 0.104945
+H	 1.6333833446	 2.4806211007	-3.3008681556	 0.098901
+H	-0.559401408	 0.5553132212	-2.1900673083	 0.1237
+H	-0.1106180819	 0.7488679735	-3.9400120895	 0.111347
+H	 2.1860792808	-0.1471812911	-3.5062142187	 0.092946
+H	 2.9995203801	-0.7849110232	-1.2575907145	 0.093139
+19
+0 1475	2.3988884	1.68124	1.3357933	1.9976	76.36	-0.20723	0.01631	0.22354	1036.4345	0.155961	-422.557755	-422.549158	-422.548214	-422.589983	34.186
+C	-0.1206502223	-0.2894842474	 0.1555100674	-0.478852
+C	 1.366140333	-0.0470071662	 0.1145114771	 0.325441
+O	 2.0599155308	-0.5732177473	 1.2362084478	-0.475973
+C	 2.0215508348	 1.2375056978	-0.34357583	-0.181687
+C	 1.2566053598	 2.1890638447	-1.2605539867	-0.29431
+C	 1.0435198784	 1.3796777216	-2.5258825147	-0.075604
+C	 1.5954144899	 0.1660575513	-2.4489976978	-0.141148
+C	 2.2442635622	-0.0639428617	-1.1328421184	 0.360165
+O	 3.4085972498	-0.8192538734	-1.1229217332	-0.487682
+H	-0.5671014655	 0.203201582	 1.0260789183	 0.125335
+H	-0.611881885	 0.0798278616	-0.746203857	 0.136647
+H	-0.3355256944	-1.3639576797	 0.2272361985	 0.107126
+H	 1.7508232897	-1.4779698622	 1.3637408189	 0.285657
+H	 2.7969049414	 1.6219158143	 0.3095547646	 0.096194
+H	 0.303253228	 2.516621409	-0.8240984485	 0.109889
+H	 1.8295230438	 3.1041128469	-1.4593149027	 0.113481
+H	 0.4737517381	 1.7564307061	-3.3676302416	 0.096086
+H	 1.584819076	-0.5954659935	-3.2198291913	 0.100132
+H	 3.5525912117	-1.053858964	-0.1951374509	 0.279105
+19
+0 1476	2.719898	1.4187572	1.2593312	4.568	75.42	-0.2594	0.01081	0.27021	1093.7951	0.157223	-422.597955	-422.589498	-422.588554	-422.630571	32.212
+C	-1.5833039979	-0.6669047252	-2.515415376	-0.471494
+C	-1.8229081856	-1.3844716717	-1.1991607343	 0.314592
+C	-2.3504678437	-2.7996720023	-1.3686953128	-0.453501
+C	-2.2943348991	-0.6541465057	 0.0284851158	-0.118885
+C	-2.1310834993	 0.8568408758	 0.0684322883	-0.112847
+O	-0.7304610495	 1.1319336155	-0.0987996476	-0.229544
+C	 0.0231903249	-0.012214285	-0.0252769333	 0.443002
+O	 1.2186022883	 0.0212883292	 0.0202581684	-0.345829
+C	-0.8826177098	-1.200973255	-0.0063274993	-0.241489
+H	-0.875412178	-1.2309780742	-3.1320452854	 0.128513
+H	-2.5204878085	-0.5879366153	-3.0784192629	 0.117705
+H	-1.1812685275	 0.3399582342	-2.3876982206	 0.144404
+H	-2.5221241587	-3.2869410773	-0.4041800702	 0.117906
+H	-3.2997082908	-2.7935037782	-1.9162710995	 0.122148
+H	-1.6429867965	-3.4144805592	-1.9355101079	 0.127614
+H	-3.062542618	-1.0984957247	 0.6507567409	 0.099215
+H	-2.6734932282	 1.3790400235	-0.7262714503	 0.122268
+H	-2.449246801	 1.26518787	 1.0338491483	 0.122682
+H	-0.5415105511	-2.0703848843	 0.5400808684	 0.113538
+19
+0 1477	2.6597603	1.4106779	1.2331708	2.4008	76.4	-0.24129	-0.02225	0.21904	1108.3894	0.155511	-422.564509	-422.555629	-422.554684	-422.597825	33.089
+C	-1.4420332503	-0.7989769231	 2.5625759819	-0.461171
+C	-1.8408931937	-1.3843172984	 1.2231866988	 0.268172
+C	-2.4320354606	-2.7810591874	 1.3048229874	-0.450221
+C	-2.3456057183	-0.5132022949	 0.1163572218	 0.056213
+O	-2.2058147891	 0.8828290731	 0.2645999436	-0.263127
+C	-0.8519013506	 1.2689838054	 0.0759592167	-0.193988
+C	-0.0235270843	-0.0130968586	-0.0888919561	 0.371398
+O	 1.1628921904	-0.0520763261	-0.295816849	-0.31919
+C	-0.9856504567	-1.1536674092	-0.0483581041	-0.2494
+H	-0.6085112607	-1.3576066603	 3.001047489	 0.12717
+H	-1.1534129335	 0.2506377744	 2.4953271695	 0.133137
+H	-2.2862571906	-0.8584212365	 3.2585545246	 0.123049
+H	-3.3024657097	-2.7884181479	 1.9703466219	 0.124717
+H	-2.7549034314	-3.1432656818	 0.3239699712	 0.118878
+H	-1.7004660202	-3.4940415971	 1.7005804604	 0.128003
+H	-3.2145570694	-0.7932734338	-0.4713919854	 0.104689
+H	-0.7501901402	 1.8813306444	-0.8307427102	 0.134678
+H	-0.4951090712	 1.8627288057	 0.9258624077	 0.134716
+H	-0.7745817398	-2.0069310781	-0.6810261898	 0.112277
+19
+0 1478	2.5811014	1.3947482	1.2124266	2.3326	75.91	-0.23387	-0.01302	0.22085	1109.6766	0.156275	-422.581108	-422.5724	-422.571456	-422.614128	33.338
+C	-1.5711181778	-0.502552279	-2.5604818327	-0.46856
+C	-1.8228232644	-1.2120027288	-1.2502255245	 0.40612
+O	-2.3605669411	-2.4978651088	-1.4173433323	-0.459452
+C	-2.3242380043	-0.5657089275	-0.0092261087	-0.095975
+C	-2.269855235	 0.9613047967	 0.1204061814	-0.248634
+C	-0.7788557026	 1.3634409942	 0.0570732598	-0.33584
+C	 0.0375669549	 0.0575393266	 0.0902317578	 0.404313
+O	 1.2336115845	-0.0047294329	 0.243346209	-0.333244
+C	-0.8931095726	-1.1036886243	-0.0239502388	-0.237956
+H	-0.8273422897	-1.0479909779	-3.1535847412	 0.120228
+H	-2.4993676956	-0.460725176	-3.1392705441	 0.13277
+H	-1.2001506328	 0.5149423365	-2.4308482412	 0.128599
+H	-1.7252800035	-3.0236231451	-1.9169815981	 0.284512
+H	-3.096801507	-1.1047650141	 0.5268389974	 0.104978
+H	-2.8717588637	 1.4559001936	-0.6484263538	 0.109434
+H	-2.6975526304	 1.2453887716	 1.0856750835	 0.115179
+H	-0.5131872565	 1.9329856738	-0.8393121433	 0.132291
+H	-0.4710329226	 1.9792635187	 0.9065082875	 0.133678
+H	-0.6025498597	-2.0418671673	 0.4316312722	 0.107558
+19
+0 1479	2.1869715	1.7272775	1.2109376	2.6407	77.76	-0.23932	-0.03433	0.20499	1090.5186	0.154514	-422.527143	-422.517979	-422.517035	-422.560557	33.911
+C	-0.0518028939	-0.4955566508	-0.2104455559	-0.461889
+C	 1.3671673303	-0.0490299887	 0.086517927	 0.243891
+C	 1.8679418004	-0.4314800725	 1.4688691172	-0.461386
+C	 1.9290804592	 1.2501192983	-0.4361493037	-0.202702
+C	 1.4393334443	 1.5456263875	-1.8477501446	-0.116376
+O	 1.7987632172	 0.2133842383	-2.3049717004	-0.319022
+C	 2.4024761017	-0.0801624935	-1.0388999641	 0.308669
+C	 3.7086518902	-0.7590912649	-1.0721489203	 0.070629
+O	 4.4478827064	-0.9233456187	-0.1290627368	-0.273596
+H	-0.7667307389	 0.0717111168	 0.3958080692	 0.11888
+H	-0.3089544057	-0.3737585605	-1.2636797416	 0.13993
+H	-0.1702134501	-1.5547738516	 0.0400629301	 0.123222
+H	 1.8001738356	-1.5140387118	 1.6167853159	 0.124598
+H	 2.9088407292	-0.144809199	 1.621887502	 0.148723
+H	 1.2471418856	 0.0504565529	 2.2326854257	 0.116096
+H	 2.4983041414	 1.9247400035	 0.1904605337	 0.115028
+H	 0.3733824691	 1.7582770437	-1.9829540234	 0.113606
+H	 2.0380612342	 2.3013118006	-2.3673989855	 0.119367
+H	 3.9681713138	-1.1187160197	-2.0925242747	 0.092332
+19
+0 1480	2.2732752	1.5484291	1.1492974	3.0072	77.91	-0.24351	-0.02707	0.21644	1131.4346	0.154885	-422.527955	-422.518874	-422.51793	-422.561321	33.747
+C	 0.0899631962	 0.5371030417	 0.2139726066	-0.464196
+C	 1.5386420175	 0.0823867636	 0.1396803357	 0.212915
+C	 2.0412373427	-0.6201228144	 1.3863906208	-0.465358
+C	 2.4264139346	 0.9791884925	-0.6485085953	 0.029519
+O	 3.7924161825	 0.6151073208	-0.6082278238	-0.27776
+C	 3.5034811033	-0.6640624087	-1.2463148113	-0.15592
+C	 2.0043180118	-0.3875070694	-1.2563183218	 0.140832
+C	 1.1503775748	-0.7149955636	-2.4002111888	 0.049415
+O	 1.5377044025	-1.3540162587	-3.3546462326	-0.278595
+H	-0.0553961061	 1.1574163459	 1.1044196802	 0.127896
+H	-0.2072876	 1.132157645	-0.6548142584	 0.123171
+H	-0.5934640046	-0.3155147032	 0.2852219782	 0.130693
+H	 1.5680600503	-1.6004767624	 1.50456939	 0.122483
+H	 3.124064598	-0.7516164877	 1.3666947275	 0.142596
+H	 1.7981215255	-0.0221953831	 2.2715545568	 0.122238
+H	 2.1769064898	 1.9900655967	-0.9567531907	 0.115807
+H	 3.9191035911	-0.6930431686	-2.2565841583	 0.138065
+H	 3.8694152774	-1.5138647767	-0.6621245189	 0.114835
+H	 0.1052517527	-0.3440060196	-2.3517996558	 0.071362
+19
+0 1481	2.2354933	1.5594029	1.1573374	3.1791	78.08	-0.23633	-0.01818	0.21815	1125.7457	0.155282	-422.54293	-422.533943	-422.532999	-422.576072	34.112
+C	-0.1274667493	-0.4135890023	-0.0202746346	-0.468646
+C	 1.3699571161	-0.2134113124	-0.0885122624	 0.34675
+O	 2.0817541181	-1.0612215856	 0.7778897324	-0.460518
+C	 2.1499135986	 0.0098138269	-1.3285522419	-0.133226
+C	 1.4268453687	 0.8798360058	-2.3588914887	-0.244529
+C	 1.2698165261	 2.021076714	-1.302857842	-0.311837
+C	 2.0113577567	 1.1715754859	-0.2685149697	 0.192429
+C	 3.0533376865	 1.6850862919	 0.6224305207	 0.045717
+O	 3.3300382953	 2.8617618127	 0.7249043722	-0.282592
+H	-0.5012441808	-0.1630076885	 0.9798595969	 0.11672
+H	-0.6683241032	 0.2054438902	-0.7374860987	 0.132941
+H	-0.3652174235	-1.4630951997	-0.2198984669	 0.134576
+H	 1.7692714394	-0.9028795971	 1.6758537371	 0.287892
+H	 3.0364409438	-0.5875377474	-1.5060769171	 0.110846
+H	 2.0804963591	 1.1689874833	-3.1834202065	 0.117888
+H	 0.5093968777	 0.4573403788	-2.7797027482	 0.10502
+H	 1.8410510471	 2.9159694977	-1.5535250257	 0.133385
+H	 0.250910952	 2.3227730328	-1.0444967152	 0.101832
+H	 3.5953620316	 0.9115019329	 1.2047006682	 0.07535
+19
+0 1482	2.3399318	1.888655	1.3511405	2.8473	74.86	-0.22546	-0.01818	0.20728	1009.6744	0.156393	-422.549039	-422.540663	-422.539719	-422.58136	32.415
+C	-0.9311373867	-0.030974528	-2.3719057984	-0.470886
+C	-1.6563110074	-0.0194654487	-1.0240133274	 0.307492
+C	-3.1696875965	-0.0856078552	-1.2115648175	-0.473227
+C	-1.0707465609	 1.0653391506	-0.021431885	-0.223842
+C	-1.8327787503	 0.7310749787	 1.2682328241	-0.105008
+O	-1.7992661258	-0.725753888	 1.2320757935	-0.280005
+C	-1.0446053859	-0.999077694	 0.0387972213	-0.054051
+C	 0.0850981354	 0.0484210765	 0.1581252198	 0.440702
+O	 1.2734038163	 0.0804235572	 0.2472347341	-0.322956
+H	-1.17709543	-0.9390346789	-2.932386475	 0.122452
+H	-1.240888837	 0.8268748517	-2.9784148709	 0.123457
+H	 0.157166711	 0.0139642693	-2.2689611238	 0.141441
+H	-3.6934941108	-0.2810724322	-0.2750382151	 0.140702
+H	-3.5508488207	 0.8476090439	-1.6403419312	 0.11871
+H	-3.4241176782	-0.893196659	-1.9060882412	 0.120372
+H	-0.9174830636	 2.1091606394	-0.2871731084	 0.089607
+H	-1.3272597997	 1.0948139098	 2.1699768222	 0.119227
+H	-2.8713701681	 1.0771299742	 1.2784491231	 0.110442
+H	-0.9170737112	-2.0700326274	-0.0997710544	 0.095371
+19
+0 1483	2.3280415	1.8603036	1.3559057	2.4885	74.37	-0.23156	-0.01302	0.21853999999999998	1005.5305	0.156759	-422.571871	-422.563453	-422.562509	-422.604216	32.814
+C	-0.9608918635	-0.053176269	-2.3710523098	-0.450449
+C	-1.5447839087	-0.0393102633	-0.9671918387	 0.436226
+O	-2.9368344849	-0.1478085081	-1.1199260019	-0.490342
+C	-0.9741575096	 1.1006566873	-0.0305292081	-0.190391
+C	-1.7205602182	 0.8305830197	 1.2954661654	-0.260161
+C	-1.6052105729	-0.741759937	 1.3587363199	-0.260006
+C	-0.819452177	-1.0052408271	 0.0543498575	-0.190309
+C	 0.2100859578	 0.1344753678	 0.148204791	 0.433327
+O	 1.3986963782	 0.2254144574	 0.2366315836	-0.330223
+H	-1.2332892487	-0.9823886453	-2.8797905128	 0.128778
+H	-1.364771304	 0.7811695264	-2.9517258225	 0.128774
+H	 0.1288047874	 0.0285761184	-2.3572229417	 0.139197
+H	-3.3639481376	-0.1420831856	-0.2583720135	 0.284748
+H	-0.8542926637	 2.1298189211	-0.3634268331	 0.083364
+H	-1.2406174613	 1.3190556726	 2.1463129531	 0.121746
+H	-2.7561967883	 1.1835843692	 1.2620178956	 0.105297
+H	-1.0644414294	-1.0854908068	 2.2432129767	 0.121711
+H	-2.5781498124	-1.2433540631	 1.3592154576	 0.105355
+H	-0.5488275631	-2.0292015947	-0.1958997684	 0.083358
+19
+0 1484	2.4124792	2.0330283	1.6053381	0.9793	74.18	-0.23069	0.01205	0.24274	925.53	0.157527	-422.560877	-422.553043	-422.552099	-422.592345	31.754
+C	-0.048213337	-0.1655190294	 0.0332294803	-0.472311
+C	 1.4746189984	-0.05766517	-0.0079118081	 0.425749
+O	 2.0323319036	-0.7155271017	 1.114347363	-0.486479
+C	 2.081038065	 1.3780043151	-0.1050222039	-0.133623
+C	 1.5027824338	 1.8002370725	-1.4838042407	-0.086262
+O	 1.5102673187	 0.5830246671	-2.2479178617	-0.277484
+C	 2.1120266163	-0.4245750081	-1.3858378718	-0.004691
+C	 3.5599030895	-0.0387125253	-1.1638232521	-0.06806
+C	 3.538046158	 1.0454015993	-0.3824356633	-0.072832
+H	-0.443191326	 0.355870764	 0.9107540379	 0.122994
+H	-0.5202765958	 0.2306578298	-0.8659695396	 0.142814
+H	-0.3406552049	-1.2202929813	 0.1151441882	 0.103745
+H	 1.617851131	-1.5815524181	 1.1830223774	 0.274756
+H	 1.8662954706	 2.0577705405	 0.7190157292	 0.071916
+H	 0.4754757482	 2.1758580662	-1.4088543942	 0.097928
+H	 2.1202572044	 2.5603600222	-1.9755713133	 0.100312
+H	 1.8932081575	-1.4023767008	-1.81489599	 0.064786
+H	 4.4146942661	-0.511316301	-1.6287072051	 0.098725
+H	 4.3751168927	 1.6565822491	-0.0700716021	 0.098016
+19
+0 1485	2.3363582	1.6539279	1.3348285	3.6909	75.29	-0.22952	-0.03226	0.19726	1052.4398	0.155576	-422.537755	-422.528882	-422.527938	-422.571239	32.797
+C	-1.0634052221	 1.9475676302	-1.3178396478	-0.44997
+C	-1.1270146919	 1.0376076287	-0.0946631654	 0.166363
+C	-1.1261246364	 1.856085546	 1.2076455744	-0.433547
+C	-2.2067072913	-0.1016373574	-0.0299699126	-0.12401
+C	-2.5343200243	-0.8264615668	-1.3417552197	-0.09586
+O	-1.3709158721	-1.6834182791	-1.2205035084	-0.286748
+C	-1.0851898224	-1.1826665453	 0.1085920295	-0.019416
+C	-0.0320880479	-0.0582249126	 0.0028412921	 0.392926
+O	 1.1632312957	-0.0260622208	-0.0106031526	-0.304484
+H	-1.0235640339	 1.3817703913	-2.2522628786	 0.129901
+H	-1.9305639853	 2.6163241927	-1.3564370423	 0.11702
+H	-0.1614074114	 2.5657606127	-1.2728131819	 0.136074
+H	-1.1764971293	 1.2137205019	 2.0934861919	 0.120702
+H	-0.2142957331	 2.455831727	 1.2806227764	 0.136171
+H	-1.9894000646	 2.5300809794	 1.2315088853	 0.120945
+H	-3.007781891	 0.0379969621	 0.6936819373	 0.083328
+H	-3.4571433344	-1.4184512218	-1.2999523198	 0.10753
+H	-2.5273990954	-0.2424119568	-2.2676847465	 0.110365
+H	-1.0033381486	-1.9700688314	 0.8622261885	 0.09271
+19
+0 1486	2.3190554	1.6751012	1.3486034	1.9804	75.25	-0.24035	-0.02683	0.21352000000000002	1047.4345	0.155439	-422.544646	-422.535754	-422.53481	-422.578022	32.868
+C	-1.0743865941	 1.9761782897	-1.3088138286	-0.448571
+C	-1.1006489179	 1.040078719	-0.1077153271	 0.155319
+C	-1.1625025652	 1.7978356854	 1.2284688583	-0.436809
+C	-2.1194244157	-0.1451874853	-0.1213866545	 0.07999
+O	-2.3810565833	-0.6710618724	-1.4376250211	-0.286544
+C	-1.4174552566	-1.7335982836	-1.2654112967	-0.090047
+C	-0.9809282711	-1.1867870158	 0.1137043931	-0.22681
+C	 0.0207752593	-0.028158506	-0.020958845	 0.380769
+O	 1.2162212083	 0.0330798759	-0.0373676473	-0.311299
+H	-1.1860448	 1.4156560481	-2.2394858434	 0.135548
+H	-1.8884168396	 2.7071067928	-1.2520270208	 0.116161
+H	-0.1271641606	 2.5236088716	-1.3394206165	 0.130787
+H	-1.2093623823	 1.1169082474	 2.0858601934	 0.119302
+H	-0.2754817751	 2.4260395787	 1.350314587	 0.138192
+H	-2.0502417042	 2.4384443663	 1.2574177849	 0.123822
+H	-3.0241056656	-0.0479087277	 0.4832443488	 0.079035
+H	-1.910753966	-2.7111719828	-1.2107935206	 0.114798
+H	-0.6591601446	-1.7537567371	-2.0558597996	 0.121784
+H	-0.8842147457	-1.8805592343	 0.9469838455	 0.104574
+19
+0 1487	2.3136262	1.6566115	1.3088178	2.0123	75.24	-0.23015	-0.02678	0.20337	1057.9439	0.15564	-422.550429	-422.541518	-422.540574	-422.58423	33.363
+C	-1.0855207986	 1.9572276266	-1.1985801578	-0.457952
+C	-1.2083779517	 0.97977617	-0.0449143194	 0.293011
+O	-1.3599894286	 1.6564475349	 1.2032294111	-0.470041
+C	-2.2618126344	-0.1708910824	-0.0613683254	-0.056178
+C	-2.5902663051	-0.81519611	-1.4301368207	-0.239142
+C	-1.4025598361	-1.8082812452	-1.2650893199	-0.235703
+C	-1.1205790459	-1.2422263705	 0.1680341872	-0.160977
+C	-0.1061808615	-0.1048011354	 0.1539554	 0.358297
+O	 1.0757499475	-0.0182130727	 0.338390758	-0.319344
+H	-0.9875693764	 1.4479802408	-2.1615058322	 0.120425
+H	-1.9600996926	 2.6144037366	-1.2338233685	 0.12885
+H	-0.1925096365	 2.5775134333	-1.0639929167	 0.124695
+H	-0.5103345087	 2.0639830977	 1.4119596381	 0.289255
+H	-3.0744245187	-0.0092556241	 0.6446204864	 0.086802
+H	-3.5586612609	-1.3206396571	-1.4231935962	 0.109652
+H	-2.5651924551	-0.157053762	-2.30197822	 0.10333
+H	-1.6965163688	-2.8592715466	-1.2567492905	 0.116796
+H	-0.5777425016	-1.6953797096	-1.973254089	 0.114622
+H	-1.0743786665	-1.9566735844	 0.9899815654	 0.093602
+19
+0 1488	3.0858936	1.3520672	1.2477625	0.6565	77.21	-0.22851	0.01141	0.23992	1088.5176	0.156343	-422.542451	-422.53385	-422.532906	-422.575139	33.055
+C	-0.1036542985	-0.2146372454	 0.0568217385	-0.448461
+C	 1.3963760489	-0.0672232899	 0.0166446532	 0.341774
+O	 2.0597916587	-0.4229960597	 1.2029227553	-0.462736
+C	 2.1755340301	-0.3025838302	-1.2620073721	 0.008567
+O	 1.454064084	-0.5634448863	-2.4307698953	-0.259863
+C	 1.4492202083	 0.4929926623	-3.3871507815	-0.117954
+C	 1.1057510213	 1.8332194003	-2.7863829636	-0.077044
+C	 1.3783397101	 2.0955029066	-1.5088709317	-0.087534
+C	 2.0886461621	 1.0920223855	-0.6809577717	-0.146305
+H	-0.5205796737	 0.380962646	 0.8749661674	 0.121024
+H	-0.5603201553	 0.1004701477	-0.8816595206	 0.134423
+H	-0.3781192651	-1.2634054554	 0.2252061356	 0.107438
+H	 1.9155222127	-1.3655970538	 1.3473198822	 0.280403
+H	 3.1162504971	-0.845393031	-1.1790554404	 0.087895
+H	 2.4221724307	 0.5463957777	-3.9051846337	 0.105469
+H	 0.7048003804	 0.20331758	-4.1358485646	 0.115386
+H	 0.6312435853	 2.5653480119	-3.4329344376	 0.095653
+H	 1.1162212449	 3.0488829145	-1.0587449659	 0.095464
+H	 2.9671081481	 1.4453720392	-0.1481372635	 0.106402
+19
+0 1489	2.7192361	1.6196026	1.5616073	1.5863	75.29	-0.23445	0.00105	0.2355	974.4273	0.157075	-422.55121	-422.543155	-422.54221	-422.583057	32.167
+C	 0.0295836241	 0.013358345	 0.0331426977	-0.450892
+C	 1.5583593498	-0.0434416348	 0.0575510229	 0.351665
+O	 2.118826874	 1.2751231314	 0.0373960681	-0.475449
+C	 2.0665559484	-0.8235435693	 1.2645957796	-0.113936
+C	 2.8054112993	-1.9148206628	 1.0721847245	-0.069543
+C	 3.0641342296	-2.2882956648	-0.3718428994	 0.038242
+C	 3.6047359902	-1.04344485	-1.1221224784	-0.251896
+C	 2.0983569018	-0.7343257047	-1.2146546054	 0.071107
+O	 1.806725933	-2.1543270002	-1.1122204814	-0.299867
+H	-0.3627439842	 0.423000472	 0.9718761381	 0.101473
+H	-0.3093349161	 0.6513974793	-0.7896040541	 0.119158
+H	-0.3820292873	-0.9903458922	-0.0980600428	 0.144849
+H	 1.7127922997	 1.7832150316	 0.7476615974	 0.277558
+H	 1.8070677426	-0.4518009203	 2.2534184205	 0.08611
+H	 3.2230014723	-2.5035453202	 1.8822723143	 0.095698
+H	 3.529499258	-3.2648574905	-0.5163226312	 0.07623
+H	 4.2493942848	-0.3506686319	-0.5829107724	 0.117818
+H	 4.0178897556	-1.2967325559	-2.0998944751	 0.104796
+H	 1.6946679747	-0.2780281516	-2.122378503	 0.076877
+19
+0 1490	2.7275519	1.615016	1.3422773	1.9695	76.25	-0.24774	0.00786	0.2556	1026.3334	0.156722	-422.555491	-422.547066	-422.546122	-422.58811	32.283
+C	-0.0425713355	-0.2023527099	 0.0972135557	-0.431744
+C	 1.465481972	-0.0579677783	-0.1030531512	 0.310161
+O	 2.1777295174	-0.5906084054	 1.0255171508	-0.472496
+C	 1.9750526818	-0.6618265625	-1.4004326726	-0.115027
+C	 2.7562102441	 0.1659032284	-2.0944077837	-0.092885
+C	 2.8818105608	 1.5139805721	-1.444525565	-0.129908
+C	 1.8777242301	 2.5866174628	-1.9351529436	-0.077274
+O	 0.9762476016	 2.2897739822	-0.8493186606	-0.291298
+C	 1.9355514265	 1.4089974014	-0.2216727362	 0.103994
+H	-0.3348882891	 0.2181882266	 1.0636238176	 0.124664
+H	-0.5897412091	 0.3177646018	-0.6914640048	 0.137304
+H	-0.32851335	-1.2607019604	 0.0844624291	 0.097766
+H	 2.0360495278	-1.5431344991	 1.0422739129	 0.274657
+H	 1.7220397366	-1.6768360683	-1.6933905289	 0.090079
+H	 3.2394037463	-0.0741150398	-3.0361258649	 0.098905
+H	 3.910166643	 1.8517314169	-1.3008691257	 0.086478
+H	 2.2509355753	 3.6173824536	-1.8781837967	 0.098641
+H	 1.4168640519	 2.4199535128	-2.9154265765	 0.103018
+H	 2.2755796984	 1.791390985	 0.7453722442	 0.084967
+19
+0 1491	2.8286419	1.5194175	1.2886412	2.0733	75.47	-0.24378	0.00488	0.24866	1047.1425	0.156906	-422.552202	-422.543909	-422.542965	-422.584724	32.154
+C	-0.0062834915	-0.052135177	 0.2670066122	-0.455457
+C	 1.4915059051	 0.0368493657	-0.0395134724	 0.330113
+O	 2.2325012911	-0.568445381	 1.0323115357	-0.471968
+C	 2.0024050811	 1.4619296521	-0.1480981882	-0.074907
+C	 2.7775616126	 1.6651950844	-1.2115688406	-0.096204
+C	 2.9055569863	 0.4279482385	-2.0562252811	 0.08614
+O	 2.1131160866	 0.4731682446	-3.2750359115	-0.29705
+C	 1.090203986	-0.3485407602	-2.6772136611	-0.0966
+C	 1.928520196	-0.5737889315	-1.3950763219	-0.122895
+H	-0.2063316152	 0.3830289866	 1.2506951283	 0.127062
+H	-0.6119998104	 0.4781733852	-0.4720477686	 0.128174
+H	-0.3383285346	-1.0978749327	 0.2830174248	 0.108178
+H	 1.8100672446	-1.4089526661	 1.2425665789	 0.273454
+H	 1.758648084	 2.1986653913	 0.6101172174	 0.100405
+H	 3.2547863701	 2.6025293323	-1.4750142263	 0.104201
+H	 3.9378847004	 0.1346730909	-2.2740245122	 0.082926
+H	 0.1486814334	 0.1984802231	-2.5450519094	 0.097831
+H	 0.8953191934	-1.2457017133	-3.2759068085	 0.102098
+H	 2.2838529111	-1.5965600829	-1.2675902055	 0.0745
+19
+0 1492	2.1238391	1.9354048	1.4018731	2.2461	75.53	-0.25095	0.01433	0.26528	1010.7436	0.155913	-422.557561	-422.549057	-422.548113	-422.590022	33.325
+C	-0.1172664038	 0.1913456988	 0.2941659213	-0.41092
+C	 1.3901391689	 0.0057843282	 0.087680447	 0.291281
+O	 1.5977388293	-1.3503459557	-0.2555129536	-0.479589
+C	 2.175090865	 0.4698080065	 1.3061639028	-0.114879
+C	 2.7810131216	 1.6389742979	 1.108978754	-0.082734
+C	 2.5555767893	 2.1719663048	-0.2903970322	-0.343256
+C	 1.968774062	 0.9545206123	-0.9936420475	 0.343263
+C	 1.6069579814	 0.8595951354	-2.4056191305	-0.245138
+O	 2.8417810653	 0.2961846214	-1.9298584301	-0.283669
+H	-0.4566944722	-0.4384672898	 1.121866072	 0.125884
+H	-0.3617751535	 1.2308247023	 0.5313662604	 0.114069
+H	-0.6618528305	-0.1088690207	-0.6056203296	 0.118087
+H	 2.3694369997	-1.3598177451	-0.8399027586	 0.288741
+H	 2.1741671166	-0.10736284	 2.2236252581	 0.101176
+H	 3.3581677428	 2.1828922953	 1.8482964285	 0.098931
+H	 1.8588255972	 3.0213552641	-0.2933016169	 0.115171
+H	 3.4717034295	 2.5038817058	-0.7899563706	 0.123137
+H	 0.8618516407	 0.1299955137	-2.7187161074	 0.123202
+H	 1.7186398707	 1.7232121449	-3.0594110371	 0.117242
+19
+0 1493	2.2743178	1.5308699	1.1496252	3.5989	77.24	-0.24045	-0.01484	0.22561	1127.903	0.154923	-422.58588	-422.576529	-422.575585	-422.620299	34.393
+C	-0.1134724001	 0.3456515348	-3.1640935966	-0.444531
+C	-0.3066845294	-0.1808674197	-1.7432836762	 0.333013
+O	-0.4220384504	 0.9263550632	-0.8288143005	-0.469961
+C	-1.4782442426	-1.1277768436	-1.5722633846	-0.105146
+C	-1.1699872469	-2.1869190173	-0.8296552625	-0.072763
+C	 0.2750797008	-2.1807573005	-0.3969290983	-0.301621
+C	 0.8999889851	-1.0458296858	-1.247362232	-0.101416
+C	 1.9270292484	-0.2155357568	-0.5035615528	 0.169796
+O	 3.0006387451	 0.0927457891	-0.9548947852	-0.267821
+H	-0.0312063215	-0.4759305593	-3.8820103673	 0.123724
+H	-0.9669780473	 0.9663286471	-3.4634915639	 0.103993
+H	 0.7920800954	 0.9564466147	-3.2223130416	 0.141747
+H	-1.15944801	 1.4749244904	-1.1163412687	 0.277658
+H	-2.4589446662	-0.8988350727	-1.9775401386	 0.091938
+H	-1.8619967819	-2.9658411719	-0.5278096101	 0.102177
+H	 0.3567275005	-1.9783480867	 0.6809635066	 0.117599
+H	 0.7783745982	-3.1381377098	-0.5685590586	 0.116844
+H	 1.3991766506	-1.4672287376	-2.1230028364	 0.096727
+H	 1.6190411323	 0.0938965225	 0.5176033673	 0.088045
+19
+0 1494	2.5259526	1.6219479	1.3315214	1.7362	76.49	-0.25097	0.01181	0.26278	1044.387	0.156279	-422.560317	-422.551699	-422.550754	-422.593152	33.087
+C	 0.1576682989	 0.6683476839	-0.1038536376	-0.426887
+C	 1.5961555639	 0.1355741984	-0.0608137456	 0.292763
+O	 1.6560323098	-1.0612250597	 0.7364025732	-0.471589
+C	 2.5369053137	 1.1807960499	 0.4909993625	-0.089347
+C	 3.697559245	 1.5356589111	-0.0524204231	-0.063411
+C	 4.2587698025	 0.9542187262	-1.319361318	-0.308029
+C	 3.2883460568	 0.0582315826	-2.0505804154	 0.049241
+O	 2.0521976878	 0.6571283377	-2.4653152308	-0.269793
+C	 2.0129649498	-0.3379788268	-1.4434796155	 0.047563
+H	-0.1582019873	 1.0017742506	 0.8915424204	 0.101086
+H	 0.0841445525	 1.5155289735	-0.7910212781	 0.140511
+H	-0.5253592452	-0.1196006278	-0.4347908051	 0.120645
+H	 1.4740959937	-0.8140029519	 1.649138668	 0.277337
+H	 2.2086683345	 1.658516337	 1.4134814041	 0.079935
+H	 4.3052531377	 2.2936750467	 0.436330317	 0.092786
+H	 4.5877581802	 1.7594412505	-1.9908425262	 0.121951
+H	 5.1655198368	 0.3762172018	-1.0889279249	 0.119416
+H	 3.7283056758	-0.5993312184	-2.8006447677	 0.091239
+H	 1.5528684231	-1.2830746952	-1.7324402973	 0.094583
+19
+0 1495	2.2652351	1.7229793	1.247967	3.9521	77.59	-0.25963	0.00519	0.26482000000000006	1079.0574	0.156231	-422.602562	-422.593481	-422.592536	-422.636963	33.395
+C	-0.0694200584	 2.4072806965	-0.6598870634	-0.40369
+C	-0.918367834	 1.2990495148	 0.0081846923	 0.030176
+C	-1.2837043708	 1.7380199617	 1.4466059655	-0.403692
+C	-2.1721182529	 1.0643653281	-0.7891088156	-0.05105
+C	-2.4813254306	-0.1014800375	-1.3374396361	-0.1218
+C	-1.6077080993	-1.302680379	-1.2150781852	-0.108661
+O	-0.4068941772	-1.1137031549	-0.463018794	-0.246973
+C	-0.0335555392	 0.0481255145	 0.1208260976	 0.427141
+O	 1.0055443042	 0.0679332087	 0.7257778277	-0.340442
+H	 0.844549913	 2.5750331384	-0.0865922023	 0.144561
+H	 0.205878445	 2.1338418567	-1.6828394344	 0.12101
+H	-0.6405090923	 3.3405237327	-0.700180285	 0.112195
+H	-1.8889916851	 0.9791883575	 1.951374733	 0.121011
+H	-0.3752537404	 1.9028062693	 2.0294590308	 0.144557
+H	-1.8609596523	 2.6678610579	 1.4169118727	 0.112204
+H	-2.8345889663	 1.9202668797	-0.8993241383	 0.097799
+H	-3.3952721146	-0.2396397933	-1.9081833827	 0.104672
+H	-2.1507929374	-2.1296513828	-0.737177324	 0.13049
+H	-1.3034185813	-1.663134149	-2.2073938687	 0.130492
+19
+0 1496	2.2473535	1.6736269	1.271148	3.7957	77.28	-0.23086	-0.01821	0.21265	1076.0733	0.156	-422.59531	-422.586169	-422.585225	-422.628985	34.187
+C	 0.0674122038	 2.470376592	 0.4635645658	-0.415147
+C	-0.7825231544	 1.3030951318	-0.0209723245	 0.247013
+O	-1.0240836685	 1.5253002573	-1.4298543627	-0.467273
+C	-2.0965775773	 1.2042051266	 0.7176901356	-0.123968
+C	-2.6325356446	 0.0579802876	 1.1416325374	-0.071257
+C	-1.9928757732	-1.2923360408	 0.9623516696	-0.262575
+C	-0.8748830568	-1.268132069	-0.099967019	-0.31714
+C	-0.0116720635	-0.033752624	 0.0878709802	 0.384672
+O	 1.1751619985	-0.0840643261	 0.3024856544	-0.317111
+H	 0.3278574896	 2.3511451483	 1.5181373261	 0.12381
+H	 0.992719228	 2.5175487075	-0.1131723778	 0.141304
+H	-0.4847935639	 3.4048644093	 0.3327069656	 0.112333
+H	-1.8836632199	 1.1467942577	-1.6409337191	 0.280091
+H	-2.6151351545	 2.1464447401	 0.8828226575	 0.09884
+H	-3.586586071	 0.0789384612	 1.6638237889	 0.100494
+H	-1.5797180479	-1.6269491101	 1.9243902183	 0.13204
+H	-2.7533515716	-2.0355925126	 0.6956762018	 0.115181
+H	-0.2452009377	-2.1584511572	-0.052115027	 0.12081
+H	-1.3281871651	-1.2188006495	-1.0972508909	 0.117885
+19
+0 1497	2.6212993	1.3203194	1.0985743	4.6677	75.8	-0.23017	-0.08565	0.14452	1176.2277	0.154803	-422.605744	-422.596641	-422.595697	-422.639335	34.253
+C	-2.8993830662	 1.0277624725	-1.3516861131	-0.418836
+C	-2.3603263772	 0.7739611669	 0.0681984453	 0.248163
+C	-3.2249234748	 1.5033002418	 1.0995005621	-0.431562
+C	-2.2969606081	-0.7557181009	 0.3322911399	-0.3571
+C	-0.9971259315	-1.2230485147	-0.3009513732	 0.315328
+O	-0.6871411847	-2.3269404157	-0.6565320291	-0.280308
+C	-0.0804639729	 0.0372580934	-0.4237838834	 0.315321
+O	 1.0272590375	 0.0302549101	-0.8863909946	-0.280308
+C	-0.8698719051	 1.206270282	 0.1411934445	-0.357091
+H	-2.2986189424	 0.5165746599	-2.113285646	 0.126204
+H	-3.9290453209	 0.6683942325	-1.4485494009	 0.122129
+H	-2.8899787117	 2.0968470999	-1.5876977361	 0.12213
+H	-4.2634822784	 1.1572795323	 1.0565387118	 0.118947
+H	-2.8572062453	 1.3349968296	 2.117469326	 0.113548
+H	-3.2260095399	 2.5836199066	 0.9175980193	 0.118947
+H	-2.2265421866	-0.9532171421	 1.4117058721	 0.130162
+H	-3.157891342	-1.3134590061	-0.0442221319	 0.132085
+H	-0.5617403044	 1.3354835414	 1.1887942322	 0.130158
+H	-0.6460195154	 2.1399563706	-0.380492275	 0.132082
+19
+0 1498	2.1188832	1.638523	1.2606302	3.4296	76.23	-0.24148	-0.03817	0.20331	1097.3328	0.153924	-422.545321	-422.536032	-422.535088	-422.579167	34.47
+C	-2.8540409796	-0.1027909964	 1.3143553097	-0.430374
+C	-2.1385088097	-0.0422717882	-0.0378788427	 0.202403
+C	-3.1244408118	-0.039957308	-1.2029656372	-0.454504
+C	-0.9679030235	-1.0848003672	-0.1481462685	-0.414582
+C	 0.0450933935	 0.0583769364	 0.0653368508	 0.345913
+O	 1.2212672504	 0.1171069879	 0.2745581042	-0.300338
+C	-1.0710470686	 1.0840101044	-0.055661994	 0.315647
+C	-1.0320772904	 2.3567649416	-0.7954745749	-0.25225
+O	-1.1471644532	 2.3203332104	 0.6251817779	-0.261536
+H	-3.4801301723	-0.9988140553	 1.3803038378	 0.116238
+H	-2.1410125677	-0.1251994068	 2.1449065889	 0.124017
+H	-3.4919967001	 0.7752020947	 1.4536079337	 0.128591
+H	-3.7295827199	-0.9531209507	-1.2018584316	 0.121804
+H	-3.812881091	 0.8099578665	-1.13632362	 0.121728
+H	-2.6070944862	 0.0188194022	-2.1661847315	 0.114028
+H	-0.9424141417	-1.8698436235	 0.6118889924	 0.133482
+H	-0.867549458	-1.5473856705	-1.1351478205	 0.129845
+H	-0.0802799059	 2.7209496531	-1.1786892361	 0.135188
+H	-1.9219514844	 2.6828325293	-1.3315544584	 0.1247
+19
+0 1499	2.0906986	1.6879669	1.2923079	4.4439	75.67	-0.26462	0.01339	0.27801000000000003	1087.0834	0.155155	-422.584335	-422.57524	-422.574296	-422.617689	34.026
+C	-2.8953485007	-0.2304114357	 1.2818558664	-0.429542
+C	-2.0657784489	-0.0352692431	 0.0254875174	 0.348006
+C	-2.8563363992	-0.2012098395	-1.259895108	-0.429545
+O	-0.9119487719	-0.9793955063	 0.0323467201	-0.311838
+C	 0.0020695772	 0.0452479993	 0.0582407199	 0.439072
+O	 1.1911160073	-0.0301488089	 0.0756314415	-0.351657
+C	-1.0459414276	 1.1128057473	 0.054325676	 0.074913
+C	-1.0128503383	 2.405988775	 0.8206294329	-0.321686
+C	-0.9897454031	 2.4231805874	-0.680795028	-0.321684
+H	-3.3585773389	-1.2216691077	 1.2837099354	 0.132721
+H	-2.2747844503	-0.1352295699	 2.1762215187	 0.131893
+H	-3.694092089	 0.5170096179	 1.3322887724	 0.120566
+H	-3.3189255234	-1.1920068039	-1.2987352568	 0.13272
+H	-3.6534308007	 0.5474426238	-1.3176261647	 0.120565
+H	-2.2086582121	-0.0857138863	-2.1323761972	 0.131894
+H	-1.9253293883	 2.7110176588	 1.322020782	 0.125278
+H	-0.0980659598	 2.6351674507	 1.3562413256	 0.141521
+H	-1.8864750485	 2.7399283386	-1.2029070129	 0.12528
+H	-0.0589968337	 2.6642417725	-1.1826215205	 0.141523
+19
+0 1500	2.1517958	1.6273363	1.2556525	3.3548	76.93	-0.23438	-0.01747	0.21691	1092.0664	0.154352	-422.559021	-422.549783	-422.548839	-422.592754	34.913
+C	-3.0676520101	-0.1304639148	 1.24723315	-0.453041
+C	-2.1183704353	-0.0643825417	 0.056663478	 0.292379
+O	-2.8293248682	 0.0066355832	-1.1668298472	-0.473411
+C	-0.9551653539	-1.1257617095	 0.0859665689	-0.423356
+C	 0.0386898139	 0.0373537024	 0.2747165865	 0.356566
+O	 1.2184214812	 0.1081931769	 0.4849642882	-0.321865
+C	-1.0526269562	 1.0485534286	 0.1215557529	 0.222041
+C	-1.1133222569	 2.4370493552	 0.7140162027	-0.328215
+C	-0.969873424	 2.2755005645	-0.7627194135	-0.296911
+H	-3.6751698936	-1.0433153441	 1.2088635579	 0.110216
+H	-2.5190074831	-0.1372424805	 2.193713547	 0.126186
+H	-3.7446914978	 0.7294352649	 1.2462764476	 0.125076
+H	-3.4984357762	-0.6863120299	-1.1657729623	 0.278283
+H	-0.9717348683	-1.8694878652	 0.887444414	 0.120946
+H	-0.8308757317	-1.6282536851	-0.8774887806	 0.132882
+H	-2.0705381358	 2.7633670929	 1.107300315	 0.122844
+H	-0.2478444168	 2.7491118853	 1.2893114723	 0.13507
+H	-1.8339498996	 2.4540424658	-1.3921723872	 0.140373
+H	-0.0069395177	 2.4807224212	-1.2177424302	 0.133937
+19
+0 1501	1.8127555	1.7063162	1.1040636	2.7599	76.91	-0.24634	-0.03468	0.21166000000000001	1167.271	0.153174	-422.578845	-422.569188	-422.568243	-422.613501	35.043
+C	-3.0406233479	-0.0330651481	-1.1877213411	-0.434695
+C	-2.1191933684	 0.0165243672	 0.0349919201	 0.295082
+C	-2.9189911392	 0.0867825213	 1.3326120691	-0.456119
+C	-1.036400089	-1.1208589206	-0.0300069892	-0.378325
+C	-0.0084102684	-0.0774939229	-0.4678685821	 0.382505
+O	 1.0726486299	-0.1148162167	-0.9764721742	-0.289321
+C	-0.9640812158	 1.077894587	-0.0847292979	-0.245894
+C	-1.0178713084	 2.2950264392	-0.9687278233	 0.144223
+O	-2.0239657588	 2.8008327881	-1.3977915979	-0.247355
+H	-3.6779907697	-0.9223920311	-1.1317878301	 0.111125
+H	-3.6738258986	 0.8537143324	-1.2443353747	 0.1456
+H	-2.4715653836	-0.0907176913	-2.1218031734	 0.115898
+H	-3.5912739816	-0.7733600075	 1.4240386772	 0.121179
+H	-2.2622774786	 0.0919427426	 2.2097362445	 0.109496
+H	-3.531944941	 0.9936919454	 1.3638857312	 0.131535
+H	-0.7797895551	-1.5323493851	 0.9527201419	 0.130416
+H	-1.2102165451	-1.948342412	-0.7230449476	 0.132519
+H	-0.6480908068	 1.4292204061	 0.9100198986	 0.130265
+H	-0.0145761338	 2.7135538659	-1.2044174209	 0.101866
+19
+0 1502	2.5826705	1.5096635	1.2444056	3.0463	74.65	-0.24183	-0.02925	0.21258	1082.1846	0.155705	-422.576897	-422.568294	-422.56735	-422.609724	32.986
+C	-2.9578026299	-1.1299744826	-1.1707124341	-0.43143
+C	-2.3039419168	-0.7915167277	 0.1791730187	 0.250496
+C	-3.1285010358	-1.3534634253	 1.3431732134	-0.436017
+C	-0.8240923397	-1.2726013806	 0.2061113619	-0.378324
+C	 0.0137448192	-0.0896329509	-0.2922988322	 0.413632
+O	 1.0688076564	-0.1380307019	-0.8701820406	-0.316212
+C	-0.7801092242	 1.1587612549	-0.0023784883	-0.092573
+O	-1.3028256667	 1.1434725062	 1.3439501562	-0.258714
+C	-2.1610011215	 0.7297135046	 0.2886369094	 0.041684
+H	-3.0563777799	-2.2135114992	-1.2900759413	 0.123713
+H	-3.9601635738	-0.6938166586	-1.243240665	 0.117441
+H	-2.3657706369	-0.7531226828	-2.0120205802	 0.122559
+H	-3.153515708	-2.4477315369	 1.3110778137	 0.117925
+H	-2.700233577	-1.0480532517	 2.3022813942	 0.132726
+H	-4.1633633737	-0.9955258821	 1.3026970064	 0.113213
+H	-0.5061756851	-1.5107804593	 1.226678328	 0.1376
+H	-0.6411892229	-2.1533735689	-0.4127639287	 0.125935
+H	-0.4935784154	 2.124504309	-0.405113375	 0.115143
+H	-3.0133902382	 1.3774993938	 0.0916360337	 0.101203
+19
+0 1503	2.5007522	1.6009684	1.2999977	4.5506	75.02	-0.25864	0.01367	0.27231	1060.6236	0.156588	-422.605797	-422.597372	-422.596428	-422.638312	32.63
+C	-1.9763325436	-1.0126852956	-2.166900973	-0.415317
+C	-2.0630391889	-0.7433402358	-0.6629385735	 0.337468
+C	-3.15293967	-1.5841986142	-0.0048161946	-0.416622
+O	-0.7888457865	-1.1307896592	-0.0725174636	-0.261752
+C	 0.0172169263	-0.0521316888	 0.1701194896	 0.427819
+O	 1.1821395824	-0.1669735886	 0.4210678139	-0.349196
+C	-0.8024960717	 1.1954329407	 0.0779662838	-0.181896
+C	-1.9912224721	 1.2142322364	 1.0247784672	-0.310886
+C	-2.1684726114	 0.7586763099	-0.3884463894	-0.062131
+H	-1.7461785393	-2.0654407869	-2.3498855987	 0.132989
+H	-2.926798637	-0.7744693289	-2.6552366633	 0.117659
+H	-1.1910692196	-0.4034718769	-2.623908732	 0.126119
+H	-3.1868470722	-1.4134794968	 1.0735291068	 0.124761
+H	-4.130341195	-1.3287549812	-0.4254568771	 0.120031
+H	-2.9702665432	-2.6482078279	-0.1785806215	 0.131635
+H	-0.3078632275	 2.1150448141	-0.2017513763	 0.117887
+H	-2.0171257255	 0.491011292	 1.8327217596	 0.134674
+H	-2.3768744641	 2.1935636115	 1.2838135604	 0.126984
+H	-2.7518784811	 1.3574362761	-1.077507298	 0.099773
+19
+0 1504	2.5581857	1.5172671	1.236863	3.4749	75.11	-0.23494	-0.008	0.22694	1079.841	0.156202	-422.588356	-422.579833	-422.578889	-422.620965	33.394
+C	-3.1807079353	-1.4033697105	 1.2945389099	-0.437521
+C	-2.2747079106	-0.7692264596	 0.2394220558	 0.363398
+O	-2.8072177063	-0.9876003506	-1.0702431956	-0.472993
+C	-0.8035738344	-1.2470600605	 0.2911118185	-0.391891
+C	 0.018744148	-0.0642854883	-0.248621523	 0.430146
+O	 1.0795163518	-0.1441215433	-0.814553859	-0.334966
+C	-0.7646251719	 1.1839540762	-0.0011268863	-0.147453
+C	-1.3138087162	 1.3304636575	 1.4149360224	-0.311698
+C	-2.1795575748	 0.754471744	 0.3470890484	-0.028138
+H	-3.2064805426	-2.4938183122	 1.1804560931	 0.108639
+H	-2.8315385296	-1.1836151141	 2.3078868208	 0.118097
+H	-4.2019038183	-1.0256760888	 1.1884951132	 0.125852
+H	-2.8919037921	-1.9381486388	-1.2011849782	 0.278034
+H	-0.4786344265	-1.4803380755	 1.3118978916	 0.121537
+H	-0.6329211515	-2.138003317	-0.3167769727	 0.119007
+H	-0.5253826683	 2.0704518241	-0.5735309091	 0.107852
+H	-0.917762583	 0.6959331238	 2.2008572769	 0.120545
+H	-1.52281709	 2.3456393808	 1.7322705336	 0.127586
+H	-3.0341707583	 1.3143811828	-0.0139435902	 0.103968
+19
+0 1505	2.4748571	1.412906	1.1304407	1.7023	75.09	-0.23977	-0.03993	0.19984000000000002	1148.208	0.154363	-422.616973	-422.60761	-422.606666	-422.651446	34.52
+C	-0.9003362959	 2.1824617864	-1.3151356969	-0.431448
+C	-0.9729121047	 1.2615269852	-0.0949020668	 0.158612
+C	-0.4688835848	 1.9962255941	 1.1693773459	-0.420569
+C	-2.3664406405	 0.648601723	 0.1617589445	-0.360079
+C	-2.1125411039	-0.7278254068	 0.779862364	 0.386218
+O	-2.8578797591	-1.322002318	 1.5136576199	-0.300834
+C	-0.7420929791	-1.2087301735	 0.3098381366	-0.442085
+C	-0.0579652684	 0.0272281582	-0.2728875105	 0.386898
+O	 1.0320969913	 0.052556302	-0.7825285233	-0.32188
+H	-1.2826076935	 1.6842780956	-2.2120065861	 0.115611
+H	-1.4912241701	 3.0895610995	-1.1530487192	 0.115801
+H	 0.1358464188	 2.4708591152	-1.509104459	 0.140323
+H	-0.5048694691	 1.355627567	 2.0577347628	 0.123762
+H	 0.5631444248	 2.3303300258	 1.0329746844	 0.138875
+H	-1.0964925721	 2.8714376684	 1.3663872946	 0.125863
+H	-3.0192236416	 1.2494291719	 0.7992511067	 0.129319
+H	-2.8953614568	 0.4861740859	-0.7878767964	 0.128984
+H	-0.1614389711	-1.67504611	 1.1106835075	 0.161876
+H	-0.8586517242	-1.9681318199	-0.4734423586	 0.164753
+19
+0 1506	2.4881	1.4689405	1.161163	4.209	78.23	-0.25766	0.0058	0.26346	1138.545	0.155601	-422.610572	-422.601468	-422.600523	-422.645375	33.7
+C	-1.0781990202	-1.6340325062	-2.7178812166	-0.394759
+C	-1.6350019075	-1.2292596885	-1.3447376085	 0.29828
+C	-2.5263788712	-2.3396526293	-0.7681757985	-0.394508
+O	-0.4817805112	-1.1519241274	-0.4628994219	-0.265404
+C	-0.0866569789	-0.0729152874	 0.2454300132	 0.404362
+O	 0.889605975	-0.1585812864	 0.9406448894	-0.330023
+C	-0.8878425913	 1.2145870719	 0.1397672347	-0.411361
+C	-2.0662241549	 1.16370998	-0.7791464315	-0.091166
+C	-2.3937415248	 0.0625067384	-1.4408452604	-0.072169
+H	-0.5076265312	-2.5624723555	-2.6305585099	 0.132649
+H	-1.8934724144	-1.7895680146	-3.4307805003	 0.117359
+H	-0.420075113	-0.8538114143	-3.1086995686	 0.126747
+H	-2.8920741243	-2.0603397663	 0.2232449679	 0.126396
+H	-3.3883140278	-2.5150956701	-1.418858258	 0.117503
+H	-1.9571226972	-3.2691359593	-0.682897691	 0.13258
+H	-1.1890931941	 1.4826103181	 1.1606620042	 0.150064
+H	-0.1819727078	 2.0003562203	-0.1579389475	 0.150012
+H	-2.6548475413	 2.0703624062	-0.8886991735	 0.103269
+H	-3.253935794	 0.0415150403	-2.1039606731	 0.100171
+19
+0 1507	2.5303207	1.4562444	1.1515422	3.0207	77.36	-0.23786	-0.01191	0.22594999999999998	1130.867	0.155601	-422.598798	-422.589844	-422.5889	-422.632269	34.11
+C	-3.129057957	-2.358565367	-0.5381353405	-0.441741
+C	-2.1268231833	-1.2697558907	-0.9408669789	 0.306778
+O	-1.6734148287	-1.4944450034	-2.2835577639	-0.462795
+C	-0.9178680308	-1.2549908882	 0.0224733603	-0.335027
+C	-0.0120137069	-0.0668167864	-0.2409272978	 0.390842
+O	 1.1758566549	-0.1714533955	-0.427430009	-0.310379
+C	-0.7171525929	 1.2849275266	-0.2208805281	-0.357745
+C	-2.1609605265	 1.2173009892	-0.6391315122	-0.07432
+C	-2.7895711734	 0.0908689288	-0.9637833826	-0.040398
+H	-3.5525572101	-2.1656084708	 0.4523388364	 0.122057
+H	-3.9451324058	-2.3993220118	-1.2654139847	 0.127308
+H	-2.6430249831	-3.3409147563	-0.5104621824	 0.108977
+H	-1.3138194161	-2.3883468054	-2.3281926371	 0.277787
+H	-1.2872978309	-1.181593996	 1.0542935075	 0.116882
+H	-0.3336412507	-2.1758488655	-0.0665943151	 0.105994
+H	-0.6390541164	 1.6830927656	 0.8032664405	 0.134752
+H	-0.1479367182	 1.9792761732	-0.8487739606	 0.140885
+H	-2.6924783973	 2.1646832039	-0.6902483183	 0.098576
+H	-3.824379027	 0.1162526697	-1.2937700735	 0.091568
+19
+0 1508	3.2054055	1.158516	0.9909258	3.0887	78.14	-0.24494	0.04638	0.29131999999999997	1240.3043	0.153532	-422.522106	-422.512583	-422.511639	-422.5555	37.163
+C	 0.7919805221	 2.7490322805	 3.7569996635	-0.466468
+C	-0.208136923	 2.2510429703	 2.7316065262	 0.369818
+O	-1.472339685	 2.9194555591	 2.8775417994	-0.471844
+C	 0.1407637735	 2.3277191055	 1.2243033071	-0.282346
+C	-0.6133926819	 0.9677052436	 1.0201780565	 0.201843
+O	-1.9706403736	 1.1479299163	 0.6633343681	-0.48773
+C	-0.422241056	 0.7186290065	 2.5582277661	-0.309447
+C	-0.0114003789	 0.002438866	 0.1151822373	 0.320016
+C	 0.5328044206	-0.7906525106	-0.605119015	-0.433154
+H	 0.457173715	 2.517095488	 4.7758903683	 0.109925
+H	 1.7687822938	 2.2774467716	 3.6138622731	 0.121784
+H	 0.9125912416	 3.8338925902	 3.678125041	 0.130221
+H	-1.820984423	 2.70358445	 3.7503193625	 0.280977
+H	-0.2583290444	 3.1806783699	 0.6719774738	 0.117516
+H	 1.2135399235	 2.2299502257	 1.0485566556	 0.111516
+H	-2.3078996319	 1.8289099103	 1.263187604	 0.283843
+H	-1.2757346053	 0.2670038397	 3.0709550471	 0.100941
+H	 0.4847328302	 0.1475768437	 2.7693363087	 0.110639
+H	 0.9981567127	-1.4936832662	-1.2507358633	 0.191951
+19
+0 1509	3.5077838	1.0582553	1.0057621	3.2247	78.45	-0.23561	-0.03278	0.20283	1265.4562	0.153872	-422.578762	-422.569325	-422.568381	-422.613328	34.341
+C	-0.0552365754	 0.0772594083	 0.0121385624	-0.405504
+C	 1.4720928637	-0.0570023973	-0.0313539859	 0.322155
+C	 2.0252740442	-0.4960927782	 1.3315445651	-0.407172
+O	 2.0360877251	 1.2372637847	-0.3618116627	-0.307822
+C	 2.8216519763	 1.172812442	-1.5388971894	-0.023796
+C	 2.2537144293	 2.1185328999	-2.6003324422	 0.136813
+O	 2.8940434675	 2.5686471317	-3.5118837972	-0.24149
+C	 2.7226988761	-0.2616204435	-1.999475108	-0.116865
+C	 1.9528210843	-0.9404840085	-1.1586968972	-0.10989
+H	-0.3440210626	 0.8145680361	 0.7669171825	 0.127151
+H	-0.4402052374	 0.4033939037	-0.9575373092	 0.118051
+H	-0.5239930116	-0.8783728363	 0.268219706	 0.114381
+H	 1.623985836	-1.4729863086	 1.6203208959	 0.113368
+H	 3.1156168583	-0.5649063204	 1.2984126265	 0.121929
+H	 1.7458203786	 0.2308037002	 2.0998956594	 0.126343
+H	 3.8601696255	 1.4777231621	-1.3402339314	 0.108563
+H	 1.1702370369	 2.3326384301	-2.4566057287	 0.085985
+H	 3.2153078435	-0.6220339437	-2.892672391	 0.125998
+H	 1.6972076219	-1.9910101624	-1.2213324149	 0.111805
+19
+0 1510	3.3865892	1.0808233	1.0133985	3.8556	78.23	-0.23702	-0.02789	0.20913	1245.4025	0.155123	-422.58686	-422.577612	-422.576668	-422.620906	34.301
+C	-1.1773402076	 2.6023801488	-2.4857294648	-0.439383
+C	-0.3580209449	 1.5180465927	-1.7863421284	 0.353708
+O	 0.371748254	 0.7544848028	-2.7678943396	-0.463971
+C	 0.6994445942	 2.0650433482	-0.7990893696	-0.269263
+C	 0.7723180348	 1.0430298791	 0.365075997	-0.12583
+C	 1.8903576875	 0.0239296226	 0.1610784529	 0.152032
+O	 2.641453233	-0.3479971254	 1.0245840172	-0.255257
+C	-0.5650537051	 0.3366555573	 0.256243039	-0.097871
+C	-1.1738260354	 0.5935436718	-0.8998506538	-0.111815
+H	-1.7282059619	 3.2120025154	-1.7627534092	 0.119983
+H	-0.5216775025	 3.2544706772	-3.0703607467	 0.127844
+H	-1.9066326613	 2.154949558	-3.1713912318	 0.10593
+H	-0.26462679	 0.2529153684	-3.2894609192	 0.274827
+H	 1.6538647997	 2.2158159538	-1.3104712117	 0.120158
+H	 0.3740577902	 3.0297579606	-0.4014414379	 0.11021
+H	 0.9297822127	 1.508558635	 1.3423313529	 0.09086
+H	 1.9431845626	-0.3677810588	-0.8783481461	 0.097918
+H	-0.922914801	-0.3345736686	 1.028947436	 0.113585
+H	-2.1242469989	 0.1770351711	-1.2193288763	 0.096336
+19
+0 1511	2.5764893	1.2823235	1.0125821	2.1577	76.87	-0.23528	0.04986	0.28514	1215.997	0.152704	-422.513674	-422.503565	-422.50262	-422.547907	38.239
+C	 4.3263461797	-1.3872462469	 1.078082977	-0.458012
+C	 4.0216215474	-0.1786646124	 1.9285408604	 0.308961
+O	 5.1796746242	 0.4122843582	 2.4909574438	-0.470235
+C	 2.7450539163	-0.0668721107	 2.7464859819	-0.41666
+C	 2.9934306161	 0.8746783103	 1.5831646641	 0.402444
+O	 3.351498187	 2.1956119313	 1.8657700748	-0.471906
+C	 2.1305772835	 0.8695362826	 0.3221374305	-0.423522
+C	 1.3255744936	-0.3203230282	 0.0793436125	 0.299158
+C	 0.6404777059	-1.2862969798	-0.1296940976	-0.449369
+H	 4.7567176611	-2.186089791	 1.6944428087	 0.10814
+H	 3.4263065071	-1.7770233747	 0.5994497915	 0.142947
+H	 5.0552797278	-1.1324153198	 0.3020560992	 0.124635
+H	 5.3821052923	-0.039638484	 3.3168093314	 0.290197
+H	 2.0012219764	-0.8480451062	 2.6323500147	 0.127091
+H	 2.8216782104	 0.3693950721	 3.7374827531	 0.106811
+H	 4.2410846946	 2.1495538745	 2.2456850198	 0.291411
+H	 1.4621208707	 1.7349600519	 0.4137363564	 0.152406
+H	 2.7692335213	 1.0748182045	-0.5463155646	 0.138199
+H	 0.0347009047	-2.1377018717	-0.3185836674	 0.197302
+19
+0 1512	1.9110876	1.651562	1.0728191	3.5222	78.49	-0.24438	-0.03548	0.20889999999999997	1179.0226	0.153363	-422.57154	-422.561655	-422.56071	-422.605969	35.731
+C	 2.846233655	-1.066832038	-0.3546806591	-0.453858
+C	 1.67152814	-0.1012263999	-0.3374772153	 0.2899
+C	 0.9201067262	-0.0611961194	-1.6549222935	-0.463306
+C	 0.9393238223	 0.1267559378	 0.9265937645	-0.35825
+C	 1.8514106094	 1.2628837732	 0.4508698554	 0.07464
+C	 1.2045613507	 2.5007970211	-0.0745406732	 0.090355
+O	 0.047812871	 2.5789601476	-0.4228038039	-0.279467
+C	 3.1383755348	 1.4913721087	 1.1617965354	 0.096824
+O	 3.7769203657	 2.5151813884	 1.1040102689	-0.266229
+H	 3.3209417807	-1.1879844653	 0.6206936826	 0.123001
+H	 2.4880334161	-2.0533910225	-0.6690688685	 0.130532
+H	 3.6110217521	-0.750716134	-1.0716506343	 0.134558
+H	 0.5243737135	-1.0616464785	-1.86435786	 0.122543
+H	 0.0884821128	 0.6416676782	-1.6344837486	 0.164626
+H	 1.5884628056	 0.2088356556	-2.4794830115	 0.123033
+H	-0.1173994225	 0.3673133174	 0.8757577605	 0.149547
+H	 1.2565399933	-0.4022864035	 1.8205638623	 0.123666
+H	 1.8786620245	 3.3762354421	-0.1046830465	 0.118738
+H	 3.4867027188	 0.643684871	 1.7913658048	 0.079145
+19
+0 1513	3.2155213	1.2875315	1.2548139	0.5696	76.11	-0.24521	0.07793	0.32314	1115.0686	0.154318	-422.472313	-422.463655	-422.462711	-422.505198	32.976
+C	-0.0529293385	-0.441509955	-0.0919543206	-0.451302
+C	 1.4116398812	-0.121172516	 0.0967638891	 0.210195
+C	 2.0278498127	-0.565633583	 1.402870104	-0.451272
+O	 2.246288524	-0.39198487	-1.0873900971	-0.343808
+C	 2.0366273128	 0.9310242934	-0.6859516394	 0.506209
+C	 1.5825668196	 2.1502442835	-1.5115754657	-0.058869
+C	 3.0496804714	 2.329296081	-1.980123293	-0.230232
+C	 3.0562520231	 2.0625294651	-0.4527673661	-0.058857
+O	 1.8949997287	 2.9761293523	-0.3194052922	-0.312781
+H	-0.6557432254	 0.0638087557	 0.6699806731	 0.129004
+H	-0.3994680631	-0.1240019023	-1.0776798425	 0.126445
+H	-0.223971775	-1.5192631184	 0.003148661	 0.126214
+H	 1.9092794436	-1.6467545368	 1.5331456318	 0.126251
+H	 3.0938393821	-0.3304785911	 1.4332312221	 0.126416
+H	 1.536166123	-0.0687848731	 2.2458780275	 0.128976
+H	 0.6506725054	 2.3518791058	-2.0384582633	 0.100498
+H	 3.4754540891	 1.5664871596	-2.6359255023	 0.117409
+H	 3.3134824457	 3.3491356413	-2.2628017098	 0.109006
+H	 3.8647142094	 2.1605773878	 0.2707421335	 0.100498
+19
+0 1514	3.1150719	1.2978696	1.2875934	1.1748	76.26	-0.23471	0.07251	0.30722	1094.011	0.154927	-422.466031	-422.457497	-422.456553	-422.498747	33.109
+C	-0.0962548922	-0.1909447501	-0.0338401986	-0.453759
+C	 1.4130876583	-0.1386213376	 0.0283647879	 0.289815
+O	 1.9926058371	-1.0420140085	 0.938368656	-0.463997
+C	 2.2242667747	 0.0437815641	-1.2459198315	-0.436672
+C	 2.1495685492	 1.1291125953	-0.2154644712	 0.417176
+C	 1.7601194496	 2.6141468096	-0.1655976568	-0.055745
+C	 3.2401754145	 2.9903766253	-0.429124078	-0.219046
+C	 3.1852882588	 1.8670768363	 0.6371408077	-0.045282
+O	 2.0619529914	 2.5941863146	 1.2916197274	-0.320699
+H	-0.5345235395	 0.1034124111	 0.9271229137	 0.118601
+H	-0.486388298	 0.4875207478	-0.7982114029	 0.113963
+H	-0.4327031246	-1.2062740143	-0.2665902735	 0.126415
+H	 1.7991420936	-0.7183128608	 1.8258486287	 0.286061
+H	 3.1468067887	-0.5232579278	-1.3155279068	 0.125703
+H	 1.6865964512	 0.1608375678	-2.18190544	 0.113624
+H	 0.8447260975	 3.1126534769	-0.4844359059	 0.096197
+H	 3.6652587689	 2.7500466702	-1.406296927	 0.102015
+H	 3.5396445831	 3.9685972949	-0.0506332645	 0.106147
+H	 3.9720494978	 1.467561575	 1.2762911653	 0.099482
+19
+0 1515	3.3562548	1.1195812	1.0256012	4.1065	76.74	-0.26614	0.01126	0.2774	1238.7004	0.154972	-422.57344	-422.564389	-422.563445	-422.606887	33.949
+C	-3.5038358652	 1.5291873687	-1.2753326626	-0.450206
+C	-3.2702795496	 0.1662801946	-0.6508345051	 0.241613
+C	-3.8502984182	-1.0030536885	-1.4242413311	-0.453143
+C	-3.2601320055	 0.0771433607	 0.87868796	-0.400206
+C	-1.9973314837	-0.0537059586	 0.0993259226	 0.422626
+C	-0.9447743151	-1.1503982787	 0.0372400427	-0.503174
+C	 0.0293268061	 0.0291432774	 0.1156344511	 0.437265
+O	 1.2025824216	 0.2117590703	 0.1336628591	-0.314369
+O	-0.9688582919	 0.9741818388	 0.1718856383	-0.259188
+H	-3.0168457266	 2.3225834739	-0.7039789429	 0.136348
+H	-3.1050640557	 1.5627608558	-2.295440963	 0.121513
+H	-4.5757923618	 1.7491054298	-1.3281597329	 0.118564
+H	-3.6385047603	-1.9598207525	-0.9369100147	 0.116401
+H	-4.9388268334	-0.9075520691	-1.5068306023	 0.124641
+H	-3.4427734322	-1.0452900846	-2.4408799857	 0.1218
+H	-3.401987443	 0.997750132	 1.4352478287	 0.129765
+H	-3.6665809468	-0.809854596	 1.3550623866	 0.117406
+H	-0.8925962582	-1.8277598532	 0.8917682463	 0.14628
+H	-0.8841652503	-1.7206787909	-0.8918153052	 0.146062
+19
+0 1516	3.4892981	1.0592649	0.9568117	2.693	76.56	-0.24388	-0.02768	0.2162	1286.7459	0.152776	-422.554202	-422.544737	-422.543792	-422.588497	35.079
+C	-3.8318774339	 1.4632482584	-1.2364214332	-0.455692
+C	-3.3389884921	 0.1370521058	-0.7014102916	 0.284577
+C	-3.9192791752	-1.0933267213	-1.3627758207	-0.455691
+O	-3.2533498271	 0.0627555043	 0.7425675375	-0.323221
+C	-2.0488386997	 0.058398631	-0.0023962545	 0.384713
+C	-1.0298502328	-1.095403656	 0.0634365554	-0.438207
+C	 0.0740149972	-0.0203654092	 0.1230526274	 0.403099
+O	 1.2684470518	-0.0602201334	 0.1033301923	-0.287496
+C	-0.9538486095	 1.1280018795	 0.1733296519	-0.438206
+H	-3.3941354798	 2.2979653904	-0.6850539507	 0.130605
+H	-3.5796536699	 1.5719606647	-2.2969431507	 0.122031
+H	-4.9214580653	 1.5280108991	-1.1448455155	 0.129272
+H	-3.5412660389	-2.0061643249	-0.897791488	 0.130604
+H	-5.0110413132	-1.0924219599	-1.2743388716	 0.129272
+H	-3.6714944685	-1.1139782763	-2.4296954972	 0.12203
+H	-1.100268974	-1.6885757906	 0.9814855711	 0.146233
+H	-0.9749651288	-1.7755032898	-0.7915552861	 0.134922
+H	-0.9867885453	 1.6312740484	 1.1455736057	 0.146233
+H	-0.8498855851	 1.8836838996	-0.6106951714	 0.134922
+19
+0 1517	3.3401887	1.067724	0.9871893	4.0063	76.9	-0.23907	-0.0179	0.22117	1261.4827	0.153659	-422.550707	-422.541398	-422.540454	-422.584827	35.099
+C	-3.8274427138	 1.0784143503	-1.4116260845	-0.448304
+C	-3.2859049384	-0.1128699873	-0.6549783202	 0.341683
+O	-3.4527489654	-1.3416423428	-1.3154888363	-0.460128
+C	-3.3082067241	-0.1316845525	 0.8605635506	-0.421727
+C	-2.0029513466	-0.0257922868	 0.1105552374	 0.309966
+C	-0.8874210168	-1.0852507987	 0.0722793852	-0.411242
+C	 0.1231197297	 0.0758121885	 0.0853827955	 0.405383
+O	 1.3172255982	 0.1369960316	 0.0795572893	-0.288319
+C	-0.9953588803	 1.1394765109	 0.1258605171	-0.432482
+H	-3.6336188401	 2.0134418285	-0.8788897473	 0.121955
+H	-3.3728155887	 1.1433627355	-2.4056603821	 0.127935
+H	-4.913028429	 0.9922112745	-1.5432356929	 0.111772
+H	-4.3935915763	-1.5498845344	-1.3271395797	 0.283259
+H	-3.6758751852	 0.7455060325	 1.3852305777	 0.110635
+H	-3.5286994317	-1.0797771192	 1.3411252092	 0.114607
+H	-0.8117612674	-1.7446891652	 0.9431403599	 0.128451
+H	-0.8598211879	-1.7012221829	-0.8314973599	 0.146748
+H	-0.982102643	 1.7530619803	 1.0329641675	 0.129629
+H	-1.0073000333	 1.8050026173	-0.7436248365	 0.130181
+19
+0 1518	3.3797732	1.2673457	1.116103	3.3788	75.57	-0.24777	0.0737	0.32147	1155.2993	0.154093	-422.503723	-422.494889	-422.493945	-422.536834	33.409
+C	 0.0114598798	 0.06953549	-0.0405703517	-0.455357
+C	 1.5200362938	 0.0148363291	 0.0550759185	 0.26892
+C	 2.0730504542	-0.575598335	 1.3343035865	-0.45331
+O	 2.1889919359	-0.4290990818	-1.1489135366	-0.319146
+C	 2.3389686657	 0.9214739155	-0.7631545588	 0.404592
+C	 1.8979482451	 2.1628989293	-1.587008919	-0.35863
+C	 3.2360977616	 2.8009207384	-1.1782498421	 0.027715
+O	 4.2699214084	 1.9588671638	-1.6857220915	-0.238496
+C	 3.6594857772	 1.5971291428	-0.4351236818	-0.084802
+H	-0.4062914966	 0.698343372	 0.7535636908	 0.119321
+H	-0.3073278455	 0.4668159285	-1.0063321539	 0.131783
+H	-0.4117145493	-0.9345858911	 0.0720928892	 0.127662
+H	 1.6965365541	-1.5949486475	 1.4730951119	 0.128034
+H	 3.1637714044	-0.6197945101	 1.3084977839	 0.12901
+H	 1.7639305501	 0.0151599527	 2.2034917779	 0.119942
+H	 1.7772907059	 2.0085281131	-2.6611403933	 0.125351
+H	 1.0151322494	 2.6583753343	-1.1743003879	 0.111471
+H	 3.4705239118	 3.8427903611	-0.998503974	 0.109478
+H	 4.3152218939	 1.477099945	 0.4188938521	 0.106462
+19
+0 1519	3.2669443	1.2657601	1.1440953	2.4666	75.86	-0.24401	0.07047	0.31448	1137.1494	0.154753	-422.500268	-422.49156	-422.490616	-422.533107	33.615
+C	 0.0002871041	-0.0703803414	-0.0306017963	-0.445894
+C	 1.5103703738	-0.008520155	-0.0284176154	 0.318108
+O	 2.1071824893	-0.5339999902	 1.1332514598	-0.464477
+C	 2.2870002829	-0.1426937972	-1.3225430421	-0.416858
+C	 2.2376263768	 1.1736587995	-0.5869676008	 0.326676
+C	 1.6431374161	 2.5430668699	-1.0076532787	-0.352914
+C	 2.8436815136	 3.1964253304	-0.2954894272	 0.036731
+O	 4.0361645329	 2.695090846	-0.9054823612	-0.250886
+C	 3.3905610815	 1.8858488306	 0.0926801461	-0.05218
+H	-0.4072931067	 0.4437181706	 0.8461183762	 0.12598
+H	-0.4175990772	 0.3909050799	-0.9297290819	 0.121755
+H	-0.3437397917	-1.1114976507	-0.0007317156	 0.11018
+H	 2.0019024843	-1.4917665571	 1.1118868577	 0.28189
+H	 3.2214020371	-0.6936720992	-1.2910750046	 0.116175
+H	 1.732512527	-0.2326429912	-2.2518760899	 0.110656
+H	 1.5747005978	 2.7469032583	-2.0793618869	 0.110572
+H	 0.6854478577	 2.7584904249	-0.5252849833	 0.108918
+H	 2.899108967	 4.1608591557	 0.1954663006	 0.103557
+H	 3.9742631937	 1.5709707862	 0.9476586135	 0.112012
+19
+0 1520	3.3299602	1.3040019	1.1868964	2.6463	76.01	-0.22914	0.06514	0.29428	1118.0702	0.154797	-422.494345	-422.485743	-422.484798	-422.527042	33.529
+C	-0.0744158023	-0.0884888494	 0.1142037164	-0.440031
+C	 1.4306021134	-0.0381328812	 0.0406769006	 0.346137
+O	 2.0480034593	-0.648417547	 1.1367045081	-0.475791
+C	 2.130298326	 1.173915913	-0.5810948871	-0.41884
+C	 2.1638980359	-0.1638569352	-1.2569150921	 0.384769
+O	 3.3684310978	-0.9669519872	-1.2395345115	-0.329167
+C	 2.9602482987	-1.5768007443	-2.4766414156	 0.099344
+C	 2.8984739889	-0.5604724907	-3.570775528	-0.298107
+C	 1.7381319517	-0.6979646298	-2.5995071314	-0.225024
+H	-0.4255736733	 0.4336220941	 1.0102906922	 0.130423
+H	-0.5306704148	 0.3902774883	-0.7572748535	 0.111506
+H	-0.4229765013	-1.124912958	 0.1679019571	 0.12132
+H	 2.7679386594	-1.1866880835	 0.7775601801	 0.292565
+H	 1.5285857441	 1.963578222	-1.0207359325	 0.114242
+H	 3.0492749828	 1.4985872591	-0.1043461361	 0.125317
+H	 3.119985307	-2.6418433827	-2.5896043929	 0.111108
+H	 3.5495787262	 0.3077382461	-3.5316231704	 0.123867
+H	 2.7071759361	-0.9554880971	-4.5639450086	 0.117894
+H	 0.7259435645	-0.9312992766	-2.8991469847	 0.108465
+19
+0 1521	2.5943093	1.4357838	1.1313363	4.2958	76.29	-0.26639	0.00895	0.27534000000000003	1141.663	0.155786	-422.575408	-422.566386	-422.565442	-422.6088	33.493
+C	 0.2228617453	 2.8361462263	-1.1824738429	-0.462604
+C	-1.0558976175	 2.3784083101	-0.5055975632	 0.271144
+C	-2.3362517036	 2.7587290635	-1.2246140898	-0.451908
+C	-1.0864704401	 2.3127859077	 0.9971067087	-0.379751
+C	-1.0359454656	 1.0343116138	 0.1974729727	 0.078779
+C	-1.9833878661	-0.1562035648	 0.1353269431	-0.156426
+O	-0.8210688917	-1.0515891726	 0.1312735797	-0.254554
+C	 0.0580838779	 0.0095967117	 0.201471367	 0.441821
+O	 1.2476144419	-0.0292440813	 0.2444168272	-0.348525
+H	 1.1074560728	 2.4650575163	-0.6599847455	 0.150914
+H	 0.2691670918	 2.4723565223	-2.2148982549	 0.121315
+H	 0.2670647417	 3.9307073626	-1.211832612	 0.117033
+H	-3.2248377836	 2.4048757444	-0.6925480595	 0.115472
+H	-2.4139372222	 3.8480190813	-1.3142134431	 0.126884
+H	-2.3596093915	 2.3407944066	-2.2372143773	 0.124513
+H	-0.1894763155	 2.5755803917	 1.5487447066	 0.135285
+H	-2.018153222	 2.5374377781	 1.507091275	 0.120063
+H	-2.6053601386	-0.3370879104	 1.0153315333	 0.125422
+H	-2.5652738834	-0.2768396473	-0.7815112752	 0.125124
+19
+0 1522	2.5037744	1.4867112	1.1470114	1.401	78.13	-0.24187	-0.02918	0.21269	1136.7905	0.154106	-422.541238	-422.531947	-422.531003	-422.574948	34.362
+C	 0.1904367821	 2.8469871616	-1.1541597459	-0.46102
+C	-1.0971066462	 2.3352109705	-0.5365014029	 0.24068
+C	-2.3650884227	 2.6265234212	-1.3147848792	-0.446475
+C	-1.1921360935	 2.2813791911	 0.9724080776	-0.391064
+C	-1.0437818126	 1.0051204109	 0.1883692787	 0.297467
+O	-2.0671218563	 0.0038967122	 0.102331155	-0.316964
+C	-1.1011990139	-1.0751198061	 0.1053991878	-0.18985
+C	 0.0286658048	-0.0368151223	 0.2237834594	 0.281438
+O	 1.2217743363	-0.053510326	 0.3084620347	-0.302151
+H	 1.0667802991	 2.5100406891	-0.5943794424	 0.143517
+H	 0.2968593844	 2.4938038949	-2.1857091237	 0.119959
+H	 0.1943856621	 3.9430542482	-1.1738260953	 0.118225
+H	-3.2372254137	 2.158645961	-0.8522743367	 0.134902
+H	-2.539026645	 3.7069616442	-1.3703002394	 0.119849
+H	-2.2873120143	 2.2462573753	-2.3390468707	 0.121334
+H	-0.3434020664	 2.6002023626	 1.5696380307	 0.129482
+H	-2.1654181165	 2.43778754	 1.4265122611	 0.130109
+H	-1.2186361579	-1.7442307762	 0.9650749374	 0.135863
+H	-1.1107195199	-1.6545467023	-0.8249152359	 0.1347
+19
+0 1523	2.5563536	1.4629865	1.1157341	3.2874	77.6	-0.24074	-0.03691	0.20383	1154.3822	0.153702	-422.553518	-422.544118	-422.543173	-422.587479	34.597
+C	-2.4349309908	 2.9925074563	 0.7755581	-0.451708
+C	-1.1003345119	 2.4086840944	 0.3712159249	 0.283897
+C	 0.1242946523	 2.9936137946	 1.0376219936	-0.464284
+O	-0.9551847483	 2.1469482214	-1.0330495361	-0.310807
+C	-1.0508712728	 1.0274384228	-0.1756899556	 0.289811
+C	-2.1246976699	-0.0763716299	-0.2174641856	-0.342626
+C	-1.0452512669	-1.1189333746	 0.2118064601	-0.344847
+C	 0.0302241775	-0.0215622571	 0.0497853711	 0.338576
+O	 1.2273234421	-0.0086489684	 0.0621735509	-0.306552
+H	-2.6193248417	 2.8360945954	 1.843701098	 0.123982
+H	-2.4430855259	 4.0722505339	 0.5907181383	 0.13218
+H	-3.2512221781	 2.5426852744	 0.2067336566	 0.13117
+H	 0.0514755793	 2.9023030378	 2.1265221167	 0.119835
+H	 1.0281812965	 2.48341085	 0.7009703703	 0.160719
+H	 0.2070818881	 4.0589639783	 0.7961750098	 0.126004
+H	-2.9648956397	 0.0506049469	 0.4672844135	 0.114568
+H	-2.5079048489	-0.2437566387	-1.2264706495	 0.127046
+H	-1.1333193696	-1.4747355181	 1.2422693212	 0.13496
+H	-0.9102929611	-1.9817539793	-0.4444933481	 0.138077
+19
+0 1524	2.4930914	1.4735634	1.1468868	2.5634	77.82	-0.23403	-0.01915	0.21488	1130.8046	0.154335	-422.555619	-422.546258	-422.545314	-422.589505	34.849
+C	 0.1393991529	 2.8420374366	-1.1291049875	-0.459226
+C	-1.101371476	 2.3342379585	-0.4327222178	 0.341528
+O	-2.3040782739	 2.5624048949	-1.1168537941	-0.458575
+C	-1.1691831501	 2.2681440454	 1.0624689228	-0.40751
+C	-1.0864225648	 0.9818518129	 0.2562519747	 0.200844
+C	-2.1061628731	-0.1565080127	 0.098429954	-0.320203
+C	-0.9229796164	-1.1786178932	 0.0252411298	-0.340231
+C	 0.0484890716	-0.0015384415	 0.2430162825	 0.34564
+O	 1.2390919158	 0.0960768691	 0.3704089813	-0.323412
+H	 1.0414530771	 2.504829457	-0.6135327134	 0.153833
+H	 0.1712930623	 2.4767391581	-2.1601128318	 0.12713
+H	 0.1427843429	 3.9387555405	-1.1559840662	 0.107345
+H	-2.4705987082	 3.5118075122	-1.1152244119	 0.286171
+H	-0.2903099511	 2.535784273	 1.6410950012	 0.129683
+H	-2.1265173191	 2.4776175622	 1.5282477009	 0.12065
+H	-2.7617582373	-0.2984297464	 0.9603217127	 0.108707
+H	-2.7155167071	-0.0880834201	-0.8036452451	 0.125575
+H	-0.8883092252	-1.936295305	 0.8127921573	 0.129924
+H	-0.7921039902	-1.6766410216	-0.9397858992	 0.13213
+19
+0 1525	3.0453587	1.3601027	1.1754848	2.5988	79.27	-0.21306	0.00841	0.22147	1121.8216	0.155391	-422.544328	-422.535573	-422.534629	-422.577348	33.594
+C	-0.1163495575	-0.2141847526	-0.029643129	-0.440215
+C	 1.3799889146	-0.0409357478	 0.0234637394	 0.371805
+O	 1.9604935157	-0.8116888995	 1.0348158361	-0.477063
+C	 2.1824508009	 0.1773017908	-1.2492003001	-0.411522
+C	 2.0559739243	 1.2944403593	-0.2331729402	 0.354794
+O	 3.1951127728	 1.5327611236	 0.5861705252	-0.325828
+C	 3.2223259822	 2.9124259616	 0.9732848747	-0.133175
+C	 2.0525774492	 3.5354973272	 0.2623882988	-0.111413
+C	 1.4000371921	 2.6017868568	-0.425406537	-0.163801
+H	-0.5756041615	 0.0967171812	 0.9139840233	 0.122639
+H	-0.5594215337	 0.3670525334	-0.8429710897	 0.108482
+H	-0.3622609758	-1.268549579	-0.1951780301	 0.129326
+H	 2.6689059561	-0.2711610784	 1.4129773692	 0.29138
+H	 3.1520252801	-0.3065423285	-1.3014022785	 0.123406
+H	 1.6614885433	 0.2820031433	-2.1961079798	 0.109817
+H	 3.1460034167	 2.9962191656	 2.068396465	 0.111821
+H	 4.1876524016	 3.3492170977	 0.6779486913	 0.114763
+H	 1.8081063582	 4.5871136211	 0.3321820966	 0.110103
+H	 0.5181395607	 2.7387148642	-1.0358696552	 0.11468
+19
+0 1526	2.5798284	1.1296312	0.9574028	1.9053	79.3	-0.24584	-0.08991	0.15593	1308.8153	0.15386	-422.571562	-422.561746	-422.560801	-422.606419	35.286
+C	-2.9979928852	 2.7111740151	 1.737940714	-0.444123
+C	-1.5098704374	 2.7467081186	 1.4436955562	 0.335043
+C	-0.6262363469	 2.7043550528	 2.6739772484	-0.467654
+C	-1.0510749689	 3.4999505781	 0.2443507262	-0.323762
+C	-1.0837247343	 1.9780965541	 0.1629813524	-0.168492
+C	 0.1848714638	 1.2386317084	 0.1000821355	 0.283014
+O	 1.2726431834	 1.6324982398	 0.4780403569	-0.31726
+C	 0.1294054674	-0.1720809301	-0.5077186513	 0.095359
+O	-0.8662419955	-0.6840226703	-0.9472651638	-0.222979
+H	-3.2816678954	 3.5679093803	 2.3602615418	 0.123159
+H	-3.5939719604	 2.7502714181	 0.8214817493	 0.119267
+H	-3.2712130365	 1.8006014768	 2.2819987394	 0.12522
+H	-0.8534798531	 1.8277656556	 3.2911089704	 0.116128
+H	 0.432579213	 2.676602089	 2.4137011717	 0.154584
+H	-0.8071341458	 3.5947615189	 3.2869516396	 0.118531
+H	-1.778254531	 4.0352946231	-0.3569507071	 0.119435
+H	-0.0571713422	 3.9349706341	 0.2692204744	 0.135983
+H	-1.8917913009	 1.5092692148	-0.3852310809	 0.113221
+H	 1.1228318757	-0.6689140373	-0.5029067634	 0.105326
+19
+0 1527	3.5412824	0.9120222	0.873354	2.3083	77.63	-0.23382	0.02225	0.25607	1411.0513	0.152836	-422.490151	-422.479997	-422.479053	-422.525875	37.02
+C	-1.4014435642	 4.5214355883	-1.8166730907	-0.437814
+C	-1.5996804416	 3.3036926917	-0.9513264866	 0.414346
+O	-2.896725681	 3.2431363829	-0.4296502689	-0.475762
+C	-0.4645903998	 2.769743497	-0.0972241326	-0.371026
+C	-0.9566882664	 1.9931101146	-1.3070559639	 0.028726
+O	-1.7954197384	 0.8863372774	-1.1243272028	-0.254974
+C	-1.1336188244	-0.3500645064	-0.8875297588	-0.222752
+C	-0.6092454433	-0.5136501253	 0.469394551	 0.321798
+C	-0.1924591616	-0.6853678022	 1.5833053235	-0.459742
+H	-0.3839999078	 4.5590777843	-2.2163670757	 0.110309
+H	-2.1076404856	 4.5173116618	-2.6529803909	 0.123309
+H	-1.5720448268	 5.4310959785	-1.2316107126	 0.128417
+H	-3.1376253897	 2.3082212591	-0.3936934434	 0.291248
+H	 0.5141613016	 3.2353295659	-0.1526158196	 0.108598
+H	-0.7369717194	 2.376114428	 0.8742255394	 0.129468
+H	-0.3203085372	 1.9231157304	-2.1897642717	 0.088639
+H	-1.8829309137	-1.1242809419	-1.0842098026	 0.143504
+H	-0.3223270246	-0.4870644451	-1.617522893	 0.127565
+H	 0.181999934	-0.8289841891	 2.5669112298	 0.206143
+19
+0 1528	3.1934532	1.1846127	1.0370666	2.7947	77.78	-0.25806	-0.03765	0.22041	1215.8652	0.154034	-422.537972	-422.528856	-422.527912	-422.571465	34.062
+C	-0.1377098849	-0.0243626572	-0.0141103945	-0.447703
+C	 1.3857685766	 0.0286381168	 0.036294588	 0.300964
+C	 1.9542132929	-0.6708024893	 1.269257688	-0.448689
+C	 2.0372668297	 1.4489858782	-0.2002524055	-0.36264
+C	 2.7283188303	 0.8925005662	-1.4422285053	 0.325376
+O	 1.7171875785	 0.3868871126	-2.3338148066	-0.275077
+C	 2.0950914547	-0.4473839602	-1.257328105	-0.063586
+C	 4.056468642	 1.1796079571	-2.0091337991	 0.060915
+O	 4.8571971371	 1.9259234112	-1.4999216533	-0.260739
+H	-0.570803751	 0.5172479722	 0.8340928879	 0.117924
+H	-0.5097120031	 0.4293101631	-0.9362001678	 0.133997
+H	-0.4989878216	-1.0580147494	 0.031367601	 0.114369
+H	 1.6373869275	-1.7193130789	 1.3066704424	 0.117677
+H	 3.0494258329	-0.650209792	 1.2757302962	 0.121242
+H	 1.6049018908	-0.1827662505	 2.1850739416	 0.125076
+H	 1.3503835085	 2.2751116855	-0.395239558	 0.114237
+H	 2.7446783059	 1.7307901025	 0.5813022579	 0.13026
+H	 2.475901756	-1.4357483791	-1.4985561263	 0.109718
+H	 4.2652850472	 0.6263193712	-2.9506071817	 0.086679
+19
+0 1529	3.4378504	1.198403	1.0688961	3.0141	77.58	-0.2444	-0.03428	0.21012	1188.8045	0.153812	-422.5379	-422.528741	-422.527796	-422.571326	34.294
+C	-0.1867490193	-0.0387875658	-0.1122011204	-0.436547
+C	 1.3231947811	 0.062649423	 0.0260365152	 0.386595
+C	 1.8370859742	-0.616807508	 1.2873425409	-0.421444
+O	 1.7729574509	 1.4683054011	 0.0147101689	-0.359249
+C	 2.6928351563	 1.1934696378	-1.0344444344	 0.350091
+C	 1.9967700144	 0.7568593632	-2.2945524491	-0.351663
+C	 2.1982878589	-0.2479433504	-1.202838371	-0.182507
+C	 4.0740977991	 1.6959049901	-0.9591299197	 0.065055
+O	 4.9074280182	 1.5171637833	-1.8167335836	-0.272819
+H	-0.6722582354	 0.4537589311	 0.7362198019	 0.130589
+H	-0.5411532463	 0.43706125	-1.0289530871	 0.123507
+H	-0.4986402503	-1.0880623047	-0.1222215879	 0.122372
+H	 1.6039863561	-1.6869750212	 1.269612787	 0.118732
+H	 2.9204842466	-0.5000715364	 1.3763674399	 0.122869
+H	 1.3675901701	-0.1760724049	 2.1715990602	 0.128568
+H	 1.0180228324	 1.1757415911	-2.5051419107	 0.125326
+H	 2.6578350223	 0.638172327	-3.146409248	 0.14814
+H	 2.7995969714	-1.1393506435	-1.3263849943	 0.116205
+H	 4.2941875093	 2.2505906472	-0.0209602078	 0.086178
+19
+0 1530	3.5149417	1.1251491	1.0266915	3.2615	77.71	-0.24432	-0.02398	0.22034	1216.9144	0.154676	-422.548552	-422.539479	-422.538535	-422.581929	34.307
+C	 0.0073775378	-0.4783002554	 0.0244195006	-0.4506
+C	 1.4471442146	 0.015015123	-0.01973293	 0.420429
+O	 1.7745609963	 0.7292668133	 1.1627867335	-0.474571
+C	 1.8945605165	 0.9024766106	-1.2240519292	-0.353163
+C	 3.0233984051	-0.0842095163	-1.5417152947	 0.263825
+C	 2.4749380677	-1.4692226396	-1.7911591277	-0.337529
+C	 2.5476286127	-1.0087169465	-0.3801875555	-0.133792
+C	 4.4296739865	 0.2436198592	-1.8198933438	 0.046358
+O	 5.3014665435	-0.5740265139	-2.0117861174	-0.276087
+H	-0.1368249397	-1.1747133581	 0.859838687	 0.109584
+H	-0.6726500474	 0.3676207426	 0.1637023707	 0.129819
+H	-0.27387761	-1.0014936207	-0.8935562579	 0.120392
+H	 1.6184921337	 0.1459505639	 1.9142063063	 0.275741
+H	 1.1592471678	 1.061356543	-2.0187380478	 0.097046
+H	 2.2517729908	 1.8666229628	-0.8569803344	 0.127406
+H	 1.5203887485	-1.5663316868	-2.3017657539	 0.11364
+H	 3.2300492333	-2.1912353581	-2.0831004706	 0.146434
+H	 3.1971975098	-1.4832954758	 0.3469054776	 0.105335
+H	 4.6564815124	 1.3341602128	-1.8182880029	 0.069732
+19
+0 1531	2.7208021	1.2896923	1.1709358	3.2881	77.	-0.23793	-0.03741	0.20052	1163.139	0.154156	-422.544041	-422.534635	-422.533691	-422.578211	34.377
+C	-1.0222762087	 2.0644127561	-1.2388636181	-0.439301
+C	-1.0782284066	 1.1084393912	-0.047082189	 0.188512
+C	-1.0376384663	 1.859091305	 1.288976702	-0.435456
+C	-2.1779794261	-0.0136672318	-0.1167464399	-0.398731
+C	-1.0836550284	-1.0821033946	 0.0279610515	 0.349686
+C	-1.0348696905	-2.2991596669	 0.8572548164	-0.248696
+O	-1.065745204	-2.364913486	-0.5651266922	-0.256325
+C	-0.0076927507	-0.015007398	-0.1084074503	 0.308709
+O	 1.1806475561	-0.0240836223	-0.2490283189	-0.311497
+H	-1.0469821767	 1.523785743	-2.1902036866	 0.122487
+H	-1.8715537224	 2.7560424229	-1.2194584833	 0.119026
+H	-0.1000241554	 2.6531418969	-1.2127668682	 0.134505
+H	-1.0817893109	 1.1727483334	 2.1410573621	 0.117506
+H	-0.1154818646	 2.4422271491	 1.3743613555	 0.134035
+H	-1.8865267168	 2.5471783563	 1.3673216327	 0.121445
+H	-2.9306553373	 0.0080663629	 0.673967668	 0.111318
+H	-2.6764082192	-0.0635751428	-1.0879783223	 0.122389
+H	-0.0941469753	-2.5936215593	 1.3195775136	 0.13543
+H	-1.9431843261	-2.6215554648	 1.3647806072	 0.124957
+19
+0 1532	2.6470429	1.3526114	1.2213216	1.2419	77.82	-0.24294	-0.02543	0.21750999999999998	1144.2636	0.15362	-422.548914	-422.539428	-422.538484	-422.582973	34.857
+C	-1.1901732552	 1.8951783035	-1.3488285707	-0.426212
+C	-1.0537045352	 1.0788365983	-0.0719495455	 0.290123
+C	-1.0652579214	 1.9213031605	 1.1951583921	-0.42622
+O	-2.0596707318	 0.0065340497	-0.0115482897	-0.364529
+C	-1.0711985526	-1.0203592824	-0.049611489	 0.335516
+C	-1.1552120383	-2.3061510896	 0.7233021791	-0.328625
+C	-1.2292637304	-2.3215486982	-0.7842012488	-0.328623
+C	 0.0355238898	-0.017620427	-0.1141814685	 0.236916
+O	 1.2300960732	-0.0431003163	-0.1726387542	-0.311233
+H	-1.1976382627	 1.2477744146	-2.2294893679	 0.127886
+H	-2.1248605448	 2.4647403754	-1.3314850007	 0.129135
+H	-0.3560590546	 2.5975729311	-1.4395741882	 0.132876
+H	-0.9857761461	 1.2920880003	 2.0853954569	 0.127885
+H	-0.2269704151	 2.624567169	 1.1893537056	 0.132876
+H	-1.9977191222	 2.4913344646	 1.25778552	 0.129134
+H	-0.2517832285	-2.6579199991	 1.2101541868	 0.135496
+H	-2.07587138	-2.4680103773	 1.2731550924	 0.136051
+H	-0.3775507041	-2.684082497	-1.3499787527	 0.135495
+H	-2.1992169701	-2.4936537899	-1.2377668469	 0.136052
+19
+0 1533	2.741241	1.2906565	1.1720037	1.9732	77.5	-0.22786	-0.02553	0.20233	1159.22	0.154415	-422.555637	-422.546132	-422.545188	-422.590105	34.935
+C	-1.0212675444	 1.9697795437	-1.1974349635	-0.445746
+C	-1.1649961723	 1.0879116447	 0.0367821337	 0.299846
+O	-1.2864655325	 1.8481395824	 1.2265790665	-0.469899
+C	-2.2564827133	-0.0308628306	-0.0321584209	-0.379365
+C	-1.1496969003	-1.1019097424	-0.010869426	 0.235274
+C	-0.9927185172	-2.3502086331	-0.8579420637	-0.308702
+C	-1.1221752448	-2.4737146226	 0.6251794837	-0.307276
+C	-0.1035801963	-0.0457146662	 0.15403129	 0.297056
+O	 1.079832241	-0.0417578881	 0.3624788765	-0.331519
+H	-0.9781407228	 1.3725941478	-2.114081428	 0.119987
+H	-1.8710333236	 2.6560715294	-1.2648934292	 0.128726
+H	-0.099646422	 2.5590322027	-1.1378789997	 0.123608
+H	-0.4241853	 2.2427571164	 1.4040181402	 0.288333
+H	-2.8913401424	-0.0245028183	 0.8556792732	 0.122094
+H	-2.8774626838	-0.0079262215	-0.9304180024	 0.105321
+H	-1.840308712	-2.6275236126	-1.4759954619	 0.124456
+H	-0.02016003	-2.5164554872	-1.3090896762	 0.134658
+H	-2.0572317167	-2.8409600385	 1.0344968979	 0.126074
+H	-0.2371666965	-2.719469296	 1.20261877	 0.137075
+19
+0 1534	3.4066683	1.1438	1.1123339	2.0203	78.27	-0.24644	0.00047	0.24691	1189.0184	0.155404	-422.554828	-422.546037	-422.545093	-422.58831	33.789
+C	-0.0511020352	 0.1822406779	 0.1187799738	-0.439703
+C	 1.4499585578	-0.0784501626	-0.0230712803	 0.337618
+O	 2.186709638	 0.9480730925	 0.6640953862	-0.468655
+C	 1.9511870513	-0.0679182822	-1.4894302549	-0.33974
+C	 2.8630791638	-1.2875905355	-1.6234514681	 0.425432
+C	 4.1021802629	-1.326884516	-2.4162267795	-0.246677
+O	 2.9146974754	-1.9624625381	-2.8905471202	-0.2846
+C	 2.6499228928	-2.0966477229	-0.3956037937	-0.153052
+C	 1.8695636133	-1.4546070442	 0.470945549	-0.122099
+H	-0.3527878141	 0.1454468784	 1.1727363579	 0.102408
+H	-0.3006159506	 1.1737419628	-0.2708617056	 0.126482
+H	-0.6365660157	-0.5675047998	-0.4222980876	 0.122564
+H	 1.9587878793	 0.898339099	 1.5989673711	 0.272915
+H	 1.1177498469	-0.1794131912	-2.1883531269	 0.117946
+H	 2.4559168568	 0.8754622138	-1.7042031361	 0.121811
+H	 4.410549134	-0.4357591126	-2.962597339	 0.114349
+H	 4.9129990821	-1.9974870135	-2.1314938029	 0.110404
+H	 3.1006587862	-3.0736174727	-0.2644071311	 0.108056
+H	 1.5748299651	-1.821246873	 1.4495974878	 0.094541
+19
+0 1535	3.0924593	1.411176	1.2634461	2.4233	77.73	-0.22814	0.00621	0.23435	1069.008	0.156061	-422.533351	-422.524866	-422.523922	-422.565874	32.759
+C	-0.0070718284	 1.5347789406	 0.0016977012	-0.441369
+C	-0.0021529999	 0.0150739713	-0.0176806838	 0.348108
+O	 0.39554054	-0.5079712868	-1.2656107954	-0.474879
+C	-1.306893379	-0.6446075016	 0.6265969812	-0.381572
+C	-0.4786009665	-0.7499150518	 1.8832886043	 0.2339
+C	-0.3449826291	-0.2756016867	 3.1158837425	-0.245376
+C	 1.1263399014	 0.0615942262	 3.3171391606	-0.106922
+O	 1.7104804281	 0.0488819852	 1.9972347346	-0.278366
+C	 0.8182679098	-0.6471646758	 1.1535409419	 0.068462
+H	 0.9848560155	 1.9155542812	-0.2554593829	 0.136372
+H	-0.7324824036	 1.9263980658	-0.7220540273	 0.102273
+H	-0.2770747717	 1.9174669065	 0.9889037908	 0.127683
+H	-0.1180041669	-0.0723389872	-1.9546299527	 0.277109
+H	-2.2233462338	-0.0520403005	 0.6716806645	 0.108587
+H	-1.50511198	-1.6033092185	 0.1392946337	 0.118592
+H	-1.1129487883	-0.0169749446	 3.8339334817	 0.103202
+H	 1.2563734311	 1.0616185635	 3.7509873101	 0.110796
+H	 1.6608527142	-0.65142622	 3.9651490495	 0.105516
+H	 1.2607588171	-1.582496687	 0.7821127257	 0.087885
+19
+0 1536	3.9263893	0.9614434	0.9102977	3.4876	78.45	-0.24263	-0.0227	0.21993000000000001	1341.393	0.15405	-422.533244	-422.524139	-422.523195	-422.566794	33.921
+C	-0.0678778857	-0.3082593632	-0.2303754951	-0.435509
+C	 1.4229425488	-0.060109459	-0.085235624	 0.394679
+C	 2.0326649763	-0.8433927987	 1.0696442525	-0.423708
+O	 1.729622427	 1.3750854471	 0.0949745425	-0.326633
+C	 2.6513466519	 1.3196168258	-0.9788404918	 0.095299
+C	 1.9340454255	 1.0359951791	-2.293573532	-0.163426
+C	 2.7593119493	 1.1443222158	-3.5144782556	 0.155737
+O	 2.3550210426	 1.5247669261	-4.5862747564	-0.270426
+C	 2.3248198037	-0.0907493456	-1.3336389607	-0.188397
+H	-0.5871014375	 0.0013621154	 0.6821913255	 0.131228
+H	-0.4934938112	 0.2474976415	-1.0679509088	 0.129648
+H	-0.2617079347	-1.3742199843	-0.3871733756	 0.123703
+H	 1.5368478815	-0.57525065	 2.0071505496	 0.130304
+H	 1.9110989846	-1.9202733624	 0.9104629246	 0.1189
+H	 3.0990790387	-0.6240750205	 1.1669017656	 0.124803
+H	 3.5776179652	 1.876684347	-0.9008043516	 0.11841
+H	 0.8998478925	 1.3440385898	-2.4039321177	 0.11247
+H	 3.8268698492	 0.8466860587	-3.3774091857	 0.064012
+H	 2.9553201523	-0.9171074224	-1.635302125	 0.108909
+19
+0 1537	3.7005799	0.9597879	0.8985335	2.6996	77.98	-0.24779	-0.01858	0.22921000000000002	1338.9505	0.154857	-422.544828	-422.535836	-422.534892	-422.578237	33.958
+C	-1.0172407815	 0.5327624006	-3.1431144336	-0.45451
+C	 0.2417649862	 1.3699065732	-2.9729800274	 0.409111
+O	 0.738827767	 1.7952462708	-4.2338383548	-0.472547
+C	 0.195842327	 2.6356549668	-2.0549445037	-0.285741
+C	 1.3679423369	 2.0680292972	-1.2443709776	-0.060365
+C	 0.9576829871	 0.7405598913	-0.6307962302	-0.123812
+C	 1.9412067764	 0.1198853678	 0.2850157225	 0.157687
+O	 1.6596209096	-0.5566730294	 1.2430996425	-0.273009
+C	 1.3869624728	 0.8183698268	-2.0890046278	-0.124283
+H	-1.4406846466	 0.2258547658	-2.1833575088	 0.125707
+H	-1.7739422674	 1.1050725103	-3.6884824687	 0.129823
+H	-0.8005839449	-0.3781640153	-3.7151976781	 0.109824
+H	 0.8676324535	 1.0113988062	-4.7798782529	 0.275792
+H	 0.4604912513	 3.518774261	-2.6374358493	 0.129195
+H	-0.730675149	 2.8195738887	-1.5036379966	 0.101456
+H	 2.1982314391	 2.6354316264	-0.8420274429	 0.098914
+H	-0.0786146575	 0.5569325954	-0.3609957473	 0.099329
+H	 3.0057166363	 0.3276416275	 0.0186540197	 0.065478
+H	 2.2309101538	 0.245816449	-2.4588077451	 0.091951
+19
+0 1538	3.4407006	1.2580554	1.1687061	4.2052	74.9	-0.27057	0.00923	0.2798	1127.9114	0.156317	-422.57801	-422.569508	-422.568564	-422.61086	32.351
+C	-2.4074648514	 0.7151171732	-2.5102485299	-0.447269
+C	-2.5866546789	-0.2599477932	-1.3526303469	 0.302626
+C	-4.0457476999	-0.6949571034	-1.1983571788	-0.443131
+C	-1.6086234138	-1.4897816584	-1.3151235843	-0.296942
+C	-1.1458069053	-1.084705479	 0.1220350651	-0.227697
+C	-2.0158354949	 0.1903477334	 0.022968605	 0.080548
+O	-0.8049084691	 1.0073038656	-0.0751606019	-0.257871
+C	 0.0116858401	-0.0954752103	 0.0840648861	 0.450735
+O	 1.1983047389	-0.111772711	 0.1393089471	-0.324406
+H	-2.6673905743	 0.2321463803	-3.4587159321	 0.115996
+H	-3.0559742811	 1.5903777289	-2.3920638476	 0.11806
+H	-1.3763017601	 1.0696855825	-2.5770999532	 0.135231
+H	-4.1794076879	-1.3683364774	-0.3440483408	 0.115651
+H	-4.698321018	 0.1720874724	-1.047325999	 0.12062
+H	-4.3873690185	-1.2235189548	-2.094439645	 0.122717
+H	-2.1174613494	-2.4549694457	-1.3491609707	 0.113925
+H	-0.8130137426	-1.4900081085	-2.0631187913	 0.121638
+H	-1.1674847418	-1.8220967104	 0.9206400096	 0.108439
+H	-2.6834978619	 0.5768845658	 0.7929375885	 0.091131
+19
+0 1539	3.3578506	1.2501655	1.1858363	3.7863	75.66	-0.23149	-0.03185	0.19963999999999998	1128.9516	0.154794	-422.547011	-422.53826	-422.537316	-422.580256	33.22
+C	-2.4425035754	 0.4832967675	-2.5506005156	-0.435722
+C	-2.5904046527	-0.3522375938	-1.2904929812	 0.411871
+C	-3.9701481605	-0.9935884483	-1.1919029851	-0.422374
+O	-1.5617678653	-1.4018632271	-1.2283287785	-0.335434
+C	-1.1833668828	-1.0274400686	 0.1111661374	-0.004172
+C	-2.1116086086	 0.2270579134	 0.0694131353	-0.130105
+C	-0.8765026447	 1.1674311507	 0.0431374488	-0.39073
+C	 0.0401104796	-0.0774747007	 0.0684581859	 0.40914
+O	 1.2230461634	-0.2403944391	 0.0716221486	-0.286189
+H	-2.6563594623	-0.1323467075	-3.4302345888	 0.129775
+H	-3.1461119955	 1.3224702634	-2.5445661429	 0.119466
+H	-1.4290489094	 0.8751627314	-2.6582554835	 0.126651
+H	-4.0586214075	-1.5917898739	-0.2803508045	 0.120599
+H	-4.7525599805	-0.2268330469	-1.1783657985	 0.116047
+H	-4.1434832676	-1.6500325706	-2.0498609433	 0.127463
+H	-1.2116055398	-1.8554326383	 0.8247221596	 0.091811
+H	-2.8779987338	 0.438252152	 0.8125550686	 0.082773
+H	-0.7581653028	 1.8575337954	-0.7949861042	 0.132398
+H	-0.7641602336	 1.7391827409	 0.9709722019	 0.136732
+19
+0 1540	3.3630569	1.1977548	1.1231624	1.9861	75.34	-0.24179	-0.02314	0.21865	1148.1507	0.15509	-422.554878	-422.546127	-422.545183	-422.588521	33.555
+C	-2.6539810647	 0.6604717232	-2.5587392396	-0.425542
+C	-2.6535976896	-0.281320833	-1.3691036212	 0.416139
+O	-3.9925520994	-0.7345509427	-1.2354501831	-0.473514
+C	-1.6150013569	-1.4528050789	-1.3755640833	-0.297012
+C	-1.1123626119	-1.0348907503	 0.0446053462	-0.16625
+C	-2.0729081807	 0.2172603637	-0.004621111	-0.09836
+C	-0.8433093627	 1.1689983281	-0.0434729462	-0.373391
+C	 0.0756578685	-0.0694914285	-0.0151141629	 0.410886
+O	 1.2627577968	-0.21831102	-0.0059610463	-0.296949
+H	-3.0450534292	 0.1375687837	-3.4368595356	 0.129591
+H	-3.2967835995	 1.5244925137	-2.3638982864	 0.1252
+H	-1.6479708963	 1.0155415191	-2.7945922527	 0.115672
+H	-4.0474992727	-1.3005629474	-0.4578682949	 0.277014
+H	-2.0984698116	-2.4321977391	-1.4026877726	 0.111974
+H	-0.8572815476	-1.4232193962	-2.1630434321	 0.114935
+H	-1.0995744365	-1.8007540191	 0.8208494078	 0.090484
+H	-2.8208287166	 0.4326482016	 0.7591712188	 0.073339
+H	-0.7334215119	 1.8519113615	-0.8894902063	 0.129761
+H	-0.7284797276	 1.7524738104	 0.8766894114	 0.136024
+19
+0 1541	2.9906222	1.73846	1.5463518	1.987	73.15	-0.21581	0.07267	0.28848	948.3804	0.156447	-422.519041	-422.511296	-422.510352	-422.550598	31.136
+C	 2.1614882892	 1.3418062635	 0.0696312305	-0.429324
+C	 1.3050923882	 0.0810712838	 0.028247996	 0.385047
+C	-0.1919634135	 0.3917786343	 0.1110389732	-0.431496
+O	 1.6824115936	-0.7515000629	 1.1623141264	-0.302267
+C	 1.7653788681	-2.0783667066	 0.7152873301	 0.06635
+C	 2.7259891376	-2.3798144333	-0.4244534932	 0.052341
+O	 3.0574644402	-1.1632138874	-1.0923324397	-0.295496
+C	 1.6321356718	-0.835905291	-1.1595805741	 0.031979
+C	 1.243485911	-2.2539688786	-0.6825404951	-0.207017
+H	 2.0048339408	 1.8686109044	 1.0150565755	 0.121609
+H	 3.2159428542	 1.0776795145	-0.0192319257	 0.142899
+H	 1.8917960152	 2.019267677	-0.7472501942	 0.107653
+H	-0.40773449	 0.9148739364	 1.04670292	 0.128126
+H	-0.5105629613	 1.0287847202	-0.7207440963	 0.112945
+H	-0.785604516	-0.5269770226	 0.0921044722	 0.120041
+H	 1.5921829779	-2.8204975695	 1.485732614	 0.105791
+H	 3.4217738766	-3.2085091938	-0.4881624622	 0.105681
+H	 1.3366502585	-0.4792344531	-2.1468768982	 0.0842
+H	 0.4793013979	-2.9215900254	-1.0550012994	 0.100937
+19
+0 1542	2.9845964	1.6682413	1.5015062	2.8649	72.87	-0.2255	0.0681	0.29359999999999997	959.2645	0.156981	-422.529902	-422.522087	-422.521143	-422.561562	31.457
+C	-0.032109163	 0.3803099442	 0.1103536176	-0.445067
+C	 1.4663088643	 0.0629262488	 0.0450903114	 0.417022
+O	 2.2208866454	 1.2541506953	-0.1081240747	-0.483269
+C	 1.9283565345	-0.8253458871	 1.2485842742	-0.300166
+C	 1.9267103534	-2.2464371902	 0.6913179827	-0.08481
+C	 2.8080909331	-2.4811157995	-0.5195945294	 0.095285
+O	 3.1850763708	-1.2331534556	-1.1005672968	-0.303526
+C	 1.772375047	-0.8528632063	-1.1465691107	 0.066162
+C	 1.341414823	-2.2686136227	-0.7166717789	-0.163928
+H	-0.2471050869	 1.0039845254	 0.9863839863	 0.107219
+H	-0.3496232978	 0.9274596217	-0.7823659314	 0.122927
+H	-0.6335461101	-0.5295936875	 0.1998849023	 0.12409
+H	 2.0323631189	 1.8243972371	 0.6440889753	 0.275847
+H	 2.9281185179	-0.5102900579	 1.5595920537	 0.114637
+H	 1.2531204067	-0.7294341785	 2.1045863993	 0.089985
+H	 1.7466245048	-3.097424355	 1.3388475382	 0.086134
+H	 3.4574230612	-3.3352053064	-0.6713082718	 0.10268
+H	 1.4947383428	-0.4600725991	-2.1257703346	 0.082525
+H	 0.5479212542	-2.8947428267	-1.0984011728	 0.096254
+19
+0 1543	3.3981134	1.4658733	1.4049239	1.7328	73.74	-0.23394	0.06449	0.29843000000000003	1008.4446	0.155976	-422.505085	-422.497276	-422.496332	-422.536837	31.166
+C	 2.213814591	 1.1949940734	 0.5736055153	-0.41912
+C	 1.4770604946	-0.0795139183	 0.1661740116	 0.351476
+C	 0.0760360455	-0.142373193	 0.7714139175	-0.419142
+O	 1.3550258769	-0.1007090705	-1.295131735	-0.310557
+C	 2.0464603816	-1.2596475214	-1.6606113987	 0.081453
+C	 3.3222459339	-1.4678049756	-0.7885376632	 0.019274
+O	 3.1614073706	-2.9221172219	-0.8537158011	-0.320014
+C	 1.8011739308	-2.419599853	-0.647811947	 0.019272
+C	 2.2945965234	-1.3544056624	 0.3804165533	-0.096895
+H	 2.3349540738	 1.2435780405	 1.6607448379	 0.115647
+H	 3.2048728862	 1.239422104	 0.1138531247	 0.119382
+H	 1.6503906612	 2.0756999299	 0.2516086186	 0.126816
+H	 0.1242601891	-0.1376275626	 1.8652853067	 0.115643
+H	-0.5125168685	 0.7220642473	 0.4502913668	 0.12685
+H	-0.4487809405	-1.0473173612	 0.4533054547	 0.119362
+H	 2.0537194261	-1.4301144744	-2.7351885167	 0.099679
+H	 4.3269858421	-1.0567505289	-0.8809452939	 0.094194
+H	 0.9910413361	-3.1441650745	-0.5723223096	 0.094193
+H	 2.5784725062	-1.6593575675	 1.3862846481	 0.082486
+19
+0 1544	3.3320611	1.4049469	1.3843882	2.0191	73.83	-0.22661	0.06178	0.28839000000000004	1019.9608	0.156849	-422.512548	-422.504819	-422.503875	-422.54427	31.164
+C	-0.127311473	-0.4542743152	 0.0467860336	-0.448961
+C	 1.3195999891	 0.0224206822	-0.0641747579	 0.387608
+O	 1.4428173911	 1.0140851182	-1.0888283647	-0.478489
+C	 1.8860013299	 0.6513083721	 1.2466770666	-0.287774
+C	 3.1133449206	-0.2192947451	 1.4718039587	-0.037037
+C	 3.7515006001	-0.593285823	 0.1017376904	 0.051891
+O	 4.1409600416	-1.9205651385	 0.6067028068	-0.321033
+C	 2.7783857111	-1.6957992345	 1.1054383223	 0.043119
+C	 2.3314556633	-1.107068937	-0.265907208	-0.084156
+H	-0.2473842497	-1.1837151403	 0.8544592503	 0.117855
+H	-0.7902445028	 0.3935766692	 0.2434674878	 0.126869
+H	-0.4541695931	-0.9344813984	-0.8837158507	 0.10569
+H	 1.1592133442	 0.6171986055	-1.9198156781	 0.274047
+H	 2.1301958369	 1.7030189767	 1.078217579	 0.120288
+H	 1.1745909175	 0.5941695768	 2.0765159243	 0.099431
+H	 3.7776099616	-0.0381851666	 2.3158952503	 0.078543
+H	 4.4690296188	-0.0453411551	-0.5079380136	 0.095143
+H	 2.3214607187	-2.4804330462	 1.7102003052	 0.088539
+H	 2.222784974	-1.7856101909	-1.1134850822	 0.068428
+19
+0 1545	3.2194101	1.5587684	1.3856895	2.6478	74.08	-0.24446	0.05648	0.30094	1005.1888	0.155396	-422.491827	-422.483778	-422.482834	-422.523747	31.822
+C	-0.1078698515	-0.4671546484	-0.2064265047	-0.446878
+C	 1.3720663979	-0.1324475192	-0.1171867318	 0.417362
+C	 2.0873585404	-1.0137158485	 0.9037638701	-0.423202
+O	 1.6080432569	 1.2825528343	 0.2289078376	-0.335526
+C	 2.502569542	 1.4571672975	-0.8731360122	 0.093027
+C	 1.8927731654	 2.0601848923	-2.1779109035	-0.014101
+O	 0.5550776935	 1.5881206131	-2.2953851526	-0.218329
+C	 1.6023106622	 0.6975075839	-2.679751329	 0.003623
+C	 2.2194921818	 0.0417241825	-1.4155339443	-0.180949
+H	-0.56273473	-0.4026340302	 0.7878898011	 0.118107
+H	-0.6254311112	 0.217965821	-0.8748518864	 0.152576
+H	-0.2396061934	-1.4932153054	-0.5675746018	 0.108771
+H	 1.6561833832	-0.8576118345	 1.8974482811	 0.124815
+H	 1.9819333455	-2.0728005285	 0.6435844683	 0.111936
+H	 3.1537628622	-0.7746557152	 0.9544869278	 0.113932
+H	 3.4958844867	 1.8218828039	-0.5982823618	 0.079845
+H	 2.1397408565	 2.9821124667	-2.6928038797	 0.105817
+H	 1.5680326972	 0.3041407995	-3.6893949937	 0.108734
+H	 3.0129064349	-0.6791096945	-1.6088665444	 0.080441
+19
+0 1546	3.1246859	1.5276282	1.3576921	0.658	73.84	-0.24842	0.07071	0.31913	1007.6123	0.155801	-422.49958	-422.491549	-422.490605	-422.531452	32.202
+C	-0.1129310436	-0.0300096291	 0.2799098188	-0.462265
+C	 1.3780258178	-0.018190751	-0.0161177682	 0.41703
+O	 2.0642567046	-0.9695764135	 0.7935145196	-0.483364
+C	 2.1189250234	 1.3707551429	-0.0296419447	-0.301881
+C	 2.7066998618	 1.0454540641	-1.4337846528	-0.056722
+C	 1.8964281803	 1.5382662121	-2.660109234	 0.010344
+O	 0.5135230644	 1.5644232211	-2.2938624981	-0.236124
+C	 1.0882854675	 0.303364777	-2.6705190697	-0.001519
+C	 1.87650746	-0.2762631102	-1.4712841035	-0.083696
+H	-0.2931622688	 0.2536001937	 1.325235924	 0.099166
+H	-0.6477389307	 0.6747104021	-0.3584471819	 0.144589
+H	-0.5205824285	-1.0349022092	 0.1297941684	 0.11677
+H	 1.8950317573	-0.7420567946	 1.714753623	 0.271752
+H	 1.464913916	 2.2438961889	-0.0029100279	 0.107126
+H	 2.87075201	 1.44241736	 0.759472967	 0.093363
+H	 3.7883577008	 1.0332417938	-1.5579274757	 0.076928
+H	 2.2005343335	 2.2026603052	-3.4615690888	 0.10283
+H	 0.5964585808	-0.2263457798	-3.478796437	 0.104804
+H	 2.3468083934	-1.2430942438	-1.6459457584	 0.080868
+19
+0 1547	2.7706978	1.4811961	1.2259447	4.1888	74.67	-0.26894	0.00828	0.27722	1083.6159	0.15626	-422.577915	-422.569431	-422.568487	-422.61077	32.336
+C	-2.0359006438	-3.0655311318	-1.1530871509	-0.441641
+C	-1.528655926	-1.6280953396	-1.2794935047	 0.318794
+C	-0.6846613139	-1.4538794624	-2.5389421829	-0.446959
+C	-2.6766427651	-0.5761609136	-1.0628650614	-0.297781
+C	-2.0304374988	-0.1412729916	 0.2634399138	 0.118024
+O	-1.0906008859	 0.9676985447	 0.077527739	-0.26016
+C	-0.0216311766	 0.1036693152	-0.0439514137	 0.460333
+O	 1.1220643278	 0.3895688385	-0.197666199	-0.334228
+C	-0.8750729498	-1.1520900031	 0.0793387274	-0.279083
+H	-2.6225842894	-3.2085145053	-0.2391493375	 0.114172
+H	-2.675258462	-3.3234195642	-2.0047255389	 0.120221
+H	-1.2010283265	-3.7746148868	-1.1307282154	 0.121725
+H	 0.185456444	-2.1190284409	-2.5257439639	 0.12499
+H	-1.2779399371	-1.6949309083	-3.4282051567	 0.115857
+H	-0.3183043185	-0.4294065392	-2.6489290545	 0.135927
+H	-2.7393620568	 0.2271945599	-1.7999054501	 0.119849
+H	-3.6637333637	-1.0303882288	-0.9459949543	 0.10939
+H	-2.6223633618	-0.0049748738	 1.1664795823	 0.100165
+H	-0.5581286261	-1.9112747089	 0.7920586415	 0.100402
+19
+0 1548	2.7495769	1.4872901	1.2315288	1.9666	75.62	-0.24511	-0.02845	0.21666	1084.1954	0.15462	-422.553127	-422.544357	-422.543413	-422.586288	33.267
+C	-2.1400538967	-2.9737625483	-1.1536504662	-0.421664
+C	-1.4773550139	-1.6064962801	-1.2780841043	 0.397618
+C	-0.6312134327	-1.4948828123	-2.5363117309	-0.42665
+O	-2.4975377623	-0.5583460512	-1.2141054309	-0.335521
+C	-2.0690545802	-0.1315955081	 0.0887022912	 0.113356
+C	-1.1184405374	 1.0897969442	 0.0331045082	-0.369502
+C	 0.062692599	 0.0976423351	-0.0456509741	 0.405822
+O	 1.2502853554	 0.2249003003	-0.1137217422	-0.301231
+C	-0.8651825031	-1.1219081131	 0.0765201159	-0.262804
+H	-2.7388981014	-3.0367081363	-0.2407951266	 0.120187
+H	-2.801455017	-3.1443880446	-2.0089976083	 0.127435
+H	-1.3879627794	-3.7695673709	-1.1319386926	 0.119001
+H	 0.1773732317	-2.2326434573	-2.5224443604	 0.126887
+H	-1.2515659368	-1.6826189044	-3.4186589827	 0.12529
+H	-0.1863381936	-0.5024326309	-2.6364398775	 0.129349
+H	-2.8720730813	-0.1303132059	 0.8276484486	 0.086637
+H	-1.2569695932	 1.7716789479	-0.8090351206	 0.138326
+H	-1.0835876595	 1.6666234555	 0.9646768952	 0.132538
+H	-0.6265072275	-1.8796768196	 0.822065758	 0.094925
+19
+0 1549	2.6448985	1.5277589	1.2419718	2.7735	75.53	-0.23654	-0.01868	0.21786	1075.8329	0.155149	-422.557382	-422.548654	-422.547709	-422.590687	33.458
+C	-1.9175491927	-3.2064559813	-1.1731829736	-0.448934
+C	-1.5300897063	-1.7357452093	-1.2352086562	 0.407759
+O	-0.7174508866	-1.4615651665	-2.3627461356	-0.462109
+C	-2.7066345097	-0.7197910628	-1.182355683	-0.261812
+C	-2.1207163142	-0.0724758259	 0.0946331478	-0.026606
+C	-1.0608319593	 1.0405573528	-0.1595043595	-0.361796
+C	 0.0383632351	-0.0366066788	-0.0981357306	 0.437617
+O	 1.2341788928	-0.009930767	-0.154262589	-0.313989
+C	-0.9763378612	-1.1570920311	 0.1287901871	-0.247257
+H	-2.5744561906	-3.4102322465	-0.3219275071	 0.118271
+H	-2.4358274383	-3.4948745425	-2.0933162026	 0.128051
+H	-1.0266630684	-3.8372866822	-1.0672474626	 0.113298
+H	 0.1199975303	-1.9283744462	-2.2573463974	 0.284863
+H	-2.7764508332	-0.0757304629	-2.0619662985	 0.111766
+H	-3.6723842247	-1.2050031411	-1.0215029913	 0.102258
+H	-2.7930904748	 0.089992526	 0.935160897	 0.076604
+H	-1.1316651736	 1.5904243842	-1.1022915977	 0.132113
+H	-0.964233772	 1.7631293762	 0.6578169356	 0.130453
+H	-0.7910173525	-1.873160335	 0.9306943672	 0.079453
+19
+0 1550	2.1325156	1.6984455	1.2885098	2.5534	76.68	-0.25596	-0.03899	0.21697000000000002	1073.3156	0.154188	-422.537211	-422.528141	-422.527196	-422.57051	34.01
+C	 0.0466034511	-0.3316762595	 0.0445918317	-0.452649
+C	 1.5615905582	-0.1531415416	 0.0226722158	 0.237374
+C	 2.2563287534	-0.9740769044	 1.1097864957	-0.445042
+C	 2.259177378	-0.328819027	-1.3861942055	-0.298152
+C	 2.7037066171	 1.1343551171	-1.3230556903	-0.033707
+O	 1.5475717802	 1.9410642094	-1.2038735735	-0.278319
+C	 2.0394497508	 1.3210122269	 0.0011825258	 0.304555
+C	 2.4300046867	 2.2472883709	 1.0801130105	 0.059172
+O	 2.439442886	 1.9696666277	 2.2553778272	-0.264868
+H	-0.3631111381	-0.0714018329	 1.0264390461	 0.124685
+H	-0.430477515	 0.30125809	-0.7077716996	 0.130706
+H	-0.2199629547	-1.3737276731	-0.1632859923	 0.11461
+H	 2.0602967908	-2.0406232315	 0.9543398247	 0.112513
+H	 3.341144369	-0.8253923621	 1.0961503738	 0.112381
+H	 1.8982720814	-0.6919963964	 2.1024100874	 0.142928
+H	 3.08978335	-1.0372053547	-1.3548582951	 0.112915
+H	 1.6069841108	-0.5615188122	-2.2313710399	 0.115281
+H	 3.5992896263	 1.6031373223	-1.716955391	 0.116663
+H	 2.7250449181	 3.2513768311	 0.7036183285	 0.088955
+19
+0 1551	2.1702915	1.7121984	1.2919519	2.0403	76.88	-0.24429	-0.025	0.21929	1065.0377	0.154148	-422.537517	-422.528449	-422.527505	-422.570735	34.141
+C	-0.37883484	 0.5465062944	-0.960870826	-0.419408
+C	 0.995185644	 0.1305443164	-0.4546956807	 0.337904
+C	 0.9250824443	-0.5740457089	 0.8891147971	-0.43798
+O	 1.6388351689	-0.7139182286	-1.4881786498	-0.323818
+C	 2.5858289284	 0.2909265876	-1.7836206437	 0.068469
+C	 3.4737953135	 0.5795491405	-0.6419670034	-0.361591
+C	 2.0760617299	 1.2114299242	-0.6562077049	 0.150991
+C	 1.9076973525	 2.6651729223	-0.6316358835	 0.055311
+O	 0.9242948631	 3.2480108028	-0.2342065546	-0.279081
+H	-0.8348968295	 1.2718524477	-0.2839789677	 0.143114
+H	-0.3048333424	 1.0041028412	-1.9503669778	 0.119888
+H	-1.0202756073	-0.3368734634	-1.0349994468	 0.117784
+H	 0.3069488441	-1.4735762344	 0.8072849797	 0.129387
+H	 1.9129475284	-0.8724130696	 1.2464475738	 0.117726
+H	 0.4708664487	 0.0877520958	 1.6330473286	 0.13381
+H	 2.7987795607	 0.5122407257	-2.8237926731	 0.118847
+H	 3.7057138197	-0.1981045598	 0.0779701481	 0.131618
+H	 4.2713058822	 1.2940662492	-0.8264495443	 0.128279
+H	 2.7917165008	 3.2277211468	-1.0136375911	 0.06875
+19
+0 1552	2.1376781	1.7196723	1.2768438	1.9388	77.05	-0.24451	-0.01965	0.22486	1066.4254	0.15512	-422.551874	-422.542919	-422.541974	-422.58503	34.102
+C	 0.0030541529	-0.2205819738	 0.042778743	-0.45232
+C	 1.512428805	-0.0124794806	 0.0655730008	 0.30024
+O	 2.0303065355	-0.141535328	 1.3782617242	-0.466125
+C	 1.97751294	 1.3335326808	-0.5784965359	-0.259216
+C	 2.745716952	 0.5657695812	-1.6589634769	-0.103111
+C	 3.7446437231	-0.3374175546	-1.0451184944	-0.329986
+C	 2.2880451611	-0.7844448937	-1.0309851976	 0.245578
+C	 1.9001250238	-2.0096002686	-1.7307086078	 0.042001
+O	 1.0034061775	-2.7539231786	-1.4010290371	-0.28433
+H	-0.4688519717	 0.4947480936	 0.723405224	 0.117556
+H	-0.403480188	-0.0730035329	-0.9618778378	 0.118568
+H	-0.2552512758	-1.2379319525	 0.3481232148	 0.135102
+H	 1.7481968856	-0.9958293052	 1.7244786117	 0.281496
+H	 1.1412060629	 1.9197628984	-0.9633736972	 0.110467
+H	 2.5915233882	 1.9594052666	 0.0740171546	 0.113695
+H	 2.7545067777	 0.804500613	-2.715309476	 0.103321
+H	 4.3833111071	-0.8888499456	-1.7284002974	 0.123067
+H	 4.1947926466	-0.0961530177	-0.0870500971	 0.139853
+H	 2.5213411864	-2.2280657716	-2.6323992981	 0.064143
+19
+0 1553	2.6953417	1.5846552	1.3307852	2.6348	74.58	-0.24885	-0.0138	0.23504999999999998	1036.2433	0.156243	-422.55652	-422.548186	-422.547242	-422.588893	32.353
+C	-1.1367946455	 1.2866766941	-2.604357726	-0.456618
+C	-1.8241489621	 0.7984047089	-1.3252220831	 0.317299
+C	-3.1828851212	 1.4771174348	-1.1299312355	-0.450561
+C	-1.9399128867	-0.775712043	-1.2429789263	-0.284443
+C	-1.1002592278	-1.0155773904	 0.0222739199	-0.043582
+O	-1.5322717004	 0.073762254	 0.9067869269	-0.29503
+C	-0.9296978269	 0.9871725349	-0.0693214279	-0.081432
+C	 0.1370121652	-0.119413854	-0.2183357458	 0.455302
+O	 1.3210519734	-0.2246411962	-0.2746501645	-0.320578
+H	-0.16483504	 0.8051325992	-2.7543013184	 0.129442
+H	-1.7556850157	 1.072493031	-3.481846734	 0.121693
+H	-0.9710840547	 2.3693711027	-2.5730957562	 0.119499
+H	-3.6262285635	 1.1847233223	-0.1745443438	 0.133005
+H	-3.0871046539	 2.5686451722	-1.1473111789	 0.112373
+H	-3.8746341564	 1.1899250226	-1.9297474706	 0.115191
+H	-2.972004118	-1.1064386265	-1.1032214006	 0.114645
+H	-1.5269126079	-1.2808860446	-2.1210711264	 0.112441
+H	-1.0694292978	-1.9959839496	 0.49337739	 0.103224
+H	-0.7345663	 1.9899715376	 0.3077287512	 0.098128
+19
+0 1554	2.7433305	1.6266242	1.3569692	2.6372	75.09	-0.22579	-0.01656	0.20923	1020.3686	0.155773	-422.557082	-422.548679	-422.547735	-422.589481	32.667
+C	-0.1807413972	 0.7737848018	-2.5147154432	-0.432485
+C	-1.2566633932	 0.5904202621	-1.4434986216	 0.393892
+C	-2.5621720641	 1.2519847873	-1.8761827547	-0.436905
+O	-1.4915936331	-0.8514709848	-1.2450448331	-0.322981
+C	-1.0857488135	-1.0759689987	 0.1096592607	-0.014217
+C	-1.7309676201	 0.1098193147	 0.880698118	-0.27228
+C	-0.767990761	 0.963324125	-0.0175128278	-0.211744
+C	 0.2012385959	-0.2225475083	 0.2222695306	 0.436824
+O	 1.3456561533	-0.3692344193	 0.5237511097	-0.322381
+H	 0.7442858402	 0.258778514	-2.2436652852	 0.136863
+H	-0.5303470353	 0.3678262629	-3.4683930437	 0.126661
+H	 0.0467872518	 1.8353438706	-2.6576822048	 0.116933
+H	-3.3370411103	 1.1838292788	-1.1100597295	 0.117705
+H	-2.397713396	 2.3090478431	-2.108846651	 0.116922
+H	-2.9384069464	 0.7580863854	-2.7774210249	 0.131013
+H	-1.1787446402	-2.124716747	 0.3795503231	 0.100256
+H	-2.8029712796	 0.2380102299	 0.732396203	 0.120772
+H	-1.4700686163	 0.1437267804	 1.9402763899	 0.12305
+H	-0.5072654547	 1.9997045222	 0.1832477544	 0.092103
+19
+0 1555	2.6706427	1.5925966	1.3347294	2.6291	74.65	-0.2381	-0.009	0.2291	1023.3126	0.156688	-422.574023	-422.565732	-422.564788	-422.606281	32.646
+C	-0.6386583586	 1.2372546428	-2.5255505997	-0.430144
+C	-1.4932560462	 0.7855550359	-1.3478931786	 0.415784
+O	-2.7091171995	 1.5076785048	-1.4640842371	-0.483925
+C	-1.7059400731	-0.7777462111	-1.2793897884	-0.286564
+C	-1.0748975541	-1.0946913714	 0.0959461207	-0.136967
+C	-1.6352178378	 0.0713737108	 0.9742562301	-0.273575
+C	-0.7931606406	 0.9931144584	 0.0270167801	-0.181639
+C	 0.1806050602	-0.2026095313	 0.0306379777	 0.43807
+O	 1.3628268222	-0.3582016152	 0.0991570211	-0.329434
+H	 0.3350512372	 0.7402421172	-2.5195953326	 0.131343
+H	-1.1467512072	 1.0055120626	-3.4660297521	 0.125384
+H	-0.4782426559	 2.3184374826	-2.4832621746	 0.126577
+H	-3.2825941395	 1.2736670662	-0.7276844282	 0.274418
+H	-2.7731791775	-1.017984497	-1.305845604	 0.105198
+H	-1.2183260531	-1.3045830221	-2.1037500058	 0.115136
+H	-1.0463608591	-2.1289443464	 0.4327506958	 0.086677
+H	-2.7215915375	 0.202231357	 0.9711856498	 0.092201
+H	-1.2678163432	 0.0620360275	 2.0013904343	 0.124346
+H	-0.4929378566	 2.0060642288	 0.2861644316	 0.087115
+19
+0 1556	2.8260173	1.7908144	1.5773167	1.6304	73.9	-0.24137	-0.00081	0.24056	943.282	0.157054	-422.562353	-422.554599	-422.553655	-422.593824	31.39
+C	 0.1551601046	 0.6048065869	 0.1687358754	-0.425203
+C	 1.6060216845	 0.1405750507	 0.0262204324	 0.409667
+C	 2.2785699046	-0.0246076901	 1.3857048898	-0.437733
+O	 1.6215932954	-1.1250223327	-0.6841060562	-0.329842
+C	 2.2326566652	-0.8175125803	-1.9565151221	 0.138436
+O	 1.8112721594	 0.5021231698	-2.2220880253	-0.237496
+C	 2.3791606603	 1.0462949981	-1.0131990618	-0.057369
+C	 3.8136923022	 0.5442066106	-1.0883366077	-0.100311
+C	 3.7292225679	-0.6388359825	-1.6981710126	-0.085639
+H	-0.4264845276	-0.1518605189	 0.7032235374	 0.120951
+H	 0.1000458071	 1.5411491279	 0.7351283137	 0.105251
+H	-0.2926938946	 0.7563183896	-0.8147726658	 0.134182
+H	 1.7011411115	-0.7196577337	 2.002652955	 0.125027
+H	 3.2897400647	-0.4216090811	 1.2828324928	 0.123074
+H	 2.3258403019	 0.9335089779	 1.9151088944	 0.110082
+H	 1.8892768477	-1.5237433043	-2.7096891819	 0.093566
+H	 2.1973758785	 2.1164722948	-0.9353537348	 0.087216
+H	 4.6702040011	 1.014028248	-0.6260615319	 0.113279
+H	 4.4935737154	-1.3843302106	-1.8652551407	 0.112863
+19
+0 1557	2.8253677	1.7076772	1.5253254	1.9243	73.62	-0.23823	0.00284	0.24107	954.8317	0.158055	-422.570097	-422.562512	-422.561568	-422.601475	31.203
+C	-0.1222638181	-0.0738546206	 0.0292532848	-0.446805
+C	 1.3939972018	-0.0698113192	-0.0573167168	 0.463397
+O	 1.8721221086	-0.7985284775	 1.067345714	-0.492872
+C	 2.0664166136	 1.344855412	-0.1286375605	-0.296677
+C	 3.0352162377	 1.1529852428	-1.3378843287	 0.023842
+O	 3.3597723171	-0.2463147105	-1.227736064	-0.27106
+C	 2.0045055611	-0.7218729796	-1.3505346303	-0.050891
+C	 1.5174436277	 0.0109022391	-2.5904796095	-0.082285
+C	 2.1675047039	 1.1737836615	-2.5939899376	-0.082956
+H	-0.4466353268	 0.392748973	 0.9639599483	 0.127323
+H	-0.5639353506	 0.476097648	-0.80548801	 0.115529
+H	-0.5017988687	-1.1004756365	 0.0193424723	 0.120621
+H	 2.8258978472	-0.8808343639	 0.9407709876	 0.278701
+H	 1.3582521194	 2.1610931208	-0.2846536696	 0.102228
+H	 2.6087404805	 1.5268020673	 0.8016239041	 0.107663
+H	 3.941543392	 1.7568471756	-1.3357358781	 0.083044
+H	 1.9707346903	-1.8107830871	-1.3457372791	 0.082303
+H	 0.7429982352	-0.336562351	-3.259799001	 0.110835
+H	 2.0494976881	 2.018062926	-3.2593548059	 0.108061
+19
+0 1558	2.3887276	1.6922084	1.3699721	2.8199	74.38	-0.23921	-0.03084	0.20837	1029.4786	0.156072	-422.57441	-422.565797	-422.564853	-422.607184	32.832
+C	-0.4920301373	 2.0465691291	-1.2404080798	-0.429242
+C	-0.8497586806	 1.2607152716	 0.0388544872	 0.165472
+C	-0.6124572684	 2.1361123352	 1.2765729685	-0.424582
+C	-2.2942595009	 0.6796171752	-0.0143582623	-0.295411
+C	-2.1445499921	-0.776678968	-0.4187705833	 0.048892
+O	-1.3722819827	-0.9531240451	-1.6031619843	-0.242624
+C	-0.7328927723	-1.1936031574	-0.3317950169	-0.088759
+C	 0.0583291968	 0.007542859	 0.1179560496	 0.409434
+O	 1.1917510567	-0.0122446925	 0.5265888845	-0.335141
+H	-0.6689790961	 1.4458154298	-2.1347587949	 0.14038
+H	-1.1018651216	 2.9545133491	-1.3040938837	 0.113063
+H	 0.5606995136	 2.3445514975	-1.2224947182	 0.129399
+H	-0.871466523	 1.6070551677	 2.1994622596	 0.113139
+H	 0.4410984259	 2.420275387	 1.3399697763	 0.137631
+H	-1.2191558313	 3.0459361955	 1.2239504618	 0.112295
+H	-2.7687185573	 0.7295765293	 0.9721698271	 0.108581
+H	-2.9376867591	 1.2221934923	-0.714277121	 0.115801
+H	-2.9558128836	-1.4869375738	-0.2801797606	 0.106889
+H	-0.3814380365	-2.2033925314	-0.1463915899	 0.114782
+19
+0 1559	2.4014162	1.7040861	1.377805	1.91	75.19	-0.23941	-0.02096	0.21845	1030.5942	0.155321	-422.571534	-422.562735	-422.561791	-422.604714	33.347
+C	-0.5497173579	 2.1380588793	 1.25494803	-0.411228
+C	-0.8780083965	 1.2386383308	 0.0612367468	 0.239715
+C	-0.7507120422	 1.9957618881	-1.2649798192	-0.400255
+O	-2.220106566	 0.729252306	 0.1765386391	-0.302416
+C	-2.2285741619	-0.6756042897	 0.1855876626	 0.093213
+C	-1.6664337068	-1.3413613039	 1.3937421614	-0.321745
+C	-0.8208417863	-1.2137538224	 0.1170607737	-0.184097
+C	 0.0423375669	-0.0026561764	 0.0176622471	 0.376808
+O	 1.2359193636	 0.0419060266	-0.1492388782	-0.342934
+H	-0.6824221236	 1.6080916077	 2.2018909604	 0.119655
+H	 0.4887176063	 2.4737033699	 1.1886854317	 0.138333
+H	-1.2062685903	 3.0127906148	 1.2587477567	 0.125191
+H	-1.0217437889	 1.3509303837	-2.1057953086	 0.120299
+H	-1.4193844299	 2.8611873618	-1.2651003359	 0.122921
+H	 0.2795556543	 2.3339252868	-1.4039361456	 0.136229
+H	-3.0560996541	-1.1051511328	-0.367826541	 0.110142
+H	-1.4175167986	-0.7320344333	 2.2549240653	 0.133446
+H	-1.9911026923	-2.3499364276	 1.625088695	 0.128927
+H	-0.517182796	-2.1112154992	-0.4056244513	 0.117796
+19
+0 1560	2.4254916	1.6572181	1.3524808	2.9026	74.81	-0.24322	-0.02288	0.22033999999999998	1033.0537	0.156915	-422.584863	-422.576426	-422.575482	-422.617405	32.924
+C	-0.4544197798	 2.0843968063	-1.1804111187	-0.43931
+C	-0.9577277604	 1.2613349111	 0.013670485	 0.299204
+O	-0.890954025	 2.0555255662	 1.1896964579	-0.475181
+C	-2.3856004424	 0.6905333013	-0.1455803795	-0.274099
+C	-2.24127014	-0.8131721022	-0.3960343934	-0.043169
+C	-1.400070107	-1.2460570998	-1.5459073494	-0.291764
+C	-0.7902506261	-1.2251386456	-0.1452612882	-0.149348
+C	-0.0738664138	 0.0060076636	 0.2606405196	 0.37892
+O	 0.9865388901	 0.082647397	 0.8386065965	-0.363217
+H	 0.6002299953	 2.3393965996	-1.0375558813	 0.127799
+H	-0.5531275583	 1.5578948151	-2.1344524868	 0.114492
+H	-1.0304768495	 3.012533688	-1.2375807667	 0.129934
+H	 0.0175138657	 1.9618924423	 1.513079718	 0.285287
+H	-2.9135937512	 0.8621512745	 0.7955803173	 0.127063
+H	-2.9501609148	 1.1854078901	-0.9421459467	 0.104069
+H	-3.0432688711	-1.4653112153	-0.0703339098	 0.100813
+H	-1.5662230598	-2.2383831445	-1.9501689006	 0.128853
+H	-1.0665920368	-0.5221713422	-2.2800675429	 0.128583
+H	-0.4957923653	-2.1629517553	 0.3079922896	 0.111073
+19
+0 1561	2.9165818	1.5312663	1.3592402	2.6992	75.62	-0.24516	-0.01012	0.23504	1026.5854	0.157368	-422.563771	-422.555781	-422.554837	-422.595532	32.205
+C	 0.0778703567	 0.6035483006	 0.0752439409	-0.420858
+C	 1.5218473078	 0.1098233471	 0.1438954122	 0.315243
+O	 1.5044685664	-1.2108808907	-0.4095451733	-0.471012
+C	 2.0096203007	 0.0494292539	 1.612511637	-0.276065
+C	 3.49770654	-0.1795144916	 1.7309116533	 0.028066
+O	 4.0946628767	-1.0625360483	 0.7724207114	-0.26725
+C	 4.3744850464	 0.3646702078	 0.6783881321	 0.002091
+C	 3.7473988052	 1.0928551554	-0.4500023657	-0.073208
+C	 2.4381034403	 0.9906575478	-0.6889694786	-0.095638
+H	-0.5697348852	-0.0364567317	 0.6808201866	 0.121609
+H	-0.0056337915	 1.6332567279	 0.435242997	 0.111875
+H	-0.2762586143	 0.5625207094	-0.9588161328	 0.124551
+H	 2.4126502621	-1.5372344295	-0.3334565403	 0.285691
+H	 1.7697458136	 0.9857262443	 2.1323365291	 0.106663
+H	 1.4605131787	-0.7553803771	 2.113522291	 0.118098
+H	 3.8951374206	-0.2894650568	 2.7400100831	 0.097393
+H	 5.4065219329	 0.6071832809	 0.9194337649	 0.098112
+H	 4.3902773479	 1.7010664507	-1.0788939866	 0.097708
+H	 1.991515305	 1.5034177697	-1.5366159112	 0.096931
+19
+0 1562	3.0126591	1.5720807	1.5531792	2.5573	73.37	-0.22021	0.0738	0.29401	967.1529	0.157004	-422.529297	-422.521563	-422.520618	-422.560915	31.314
+C	 0.0157011703	-0.0747371926	-0.1005504158	-0.449706
+C	 1.5456426693	-0.0601059266	-0.01445258	 0.396326
+O	 2.1029933844	-0.6399138412	-1.1922663039	-0.470041
+C	 2.0666567442	-0.7438858077	 1.2978843186	-0.265671
+C	 3.1058327414	 0.2314679178	 1.8329730384	 0.08083
+O	 4.169256236	 0.3441077537	 0.8314420992	-0.300588
+C	 3.566317681	 1.5468128929	 0.3635194297	 0.101452
+C	 2.5928348896	 1.6543117087	 1.4940935504	-0.167276
+C	 2.0847988698	 1.3651267309	 0.0959677279	-0.100728
+H	-0.4357786658	 0.4602127235	 0.7408218209	 0.117651
+H	-0.3164065856	 0.3926630092	-1.0323135275	 0.122354
+H	-0.3622778117	-1.1046639704	-0.079992607	 0.104835
+H	 1.7071818566	-1.5101380819	-1.3091873638	 0.272471
+H	 1.2568996985	-0.8769878576	 2.0250708385	 0.091473
+H	 2.5053427922	-1.7215218181	 1.0798622742	 0.10534
+H	 3.511775277	 0.02938663	 2.8257113133	 0.078858
+H	 4.1953662664	 2.268292383	-0.1439315984	 0.103327
+H	 2.303859906	 2.457426257	 2.157305453	 0.0946
+H	 1.5973877306	 2.1576281094	-0.4619599876	 0.084494
+19
+0 1563	3.6179935	1.2007072	1.1425075	2.3255	77.92	-0.24116	-0.00449	0.23667000000000002	1149.9055	0.156169	-422.528446	-422.519982	-422.519037	-422.561057	32.787
+C	 0.0555076021	 1.5794256461	-0.1006553505	-0.437123
+C	 0.0066277663	 0.0573792433	 0.0363060051	 0.360462
+O	 0.5905506932	-0.5553456586	-1.1242393346	-0.472116
+C	-1.4474697143	-0.5147594828	 0.1294093551	-0.273153
+C	-1.240591373	-1.8099873861	 0.9230527499	 0.101761
+O	-1.9685482361	-2.0830604092	 2.1762764754	-0.308111
+C	-0.7115951121	-2.1898883566	 2.9131173182	-0.156646
+C	-0.0311985714	-1.5176090243	 1.7489648924	 0.195463
+C	 0.6350638443	-0.4415090922	 1.3514781347	-0.271951
+H	 1.0919309601	 1.9274853088	-0.1848216472	 0.104587
+H	-0.479110324	 1.8924740527	-1.0022219168	 0.126689
+H	-0.3961808272	 2.0734755902	 0.7653615998	 0.118163
+H	 1.5389370533	-0.3901570084	-1.0975429514	 0.272106
+H	-2.0708024356	 0.1652989452	 0.7169360901	 0.113666
+H	-1.8871007447	-0.6417649686	-0.8626247169	 0.107902
+H	-1.2364589207	-2.7126100942	 0.3014736118	 0.090874
+H	-0.7289195492	-1.6485280813	 3.864822874	 0.120508
+H	-0.4440641668	-3.2400227452	 3.0902000536	 0.109507
+H	 1.4101182061	 0.1028897112	 1.8793090572	 0.097414
+19
+0 1564	3.3166787	1.305741	1.150861	2.1266	78.3	-0.22818	0.00035	0.22852999999999998	1128.6936	0.15602	-422.529074	-422.52057	-422.519626	-422.561733	32.77
+C	 0.1519109884	 1.5063782756	 0.1012119706	-0.450678
+C	 0.0315054304	-0.0034618096	-0.0149010215	 0.290931
+O	 0.3504100905	-0.453504043	-1.326153445	-0.479606
+C	-1.2801051098	-0.7109238557	 0.5313443054	-0.313598
+C	-0.3679408906	-1.8706033203	 1.080740943	 0.088613
+O	-0.412615783	-2.3207267355	 2.4212618469	-0.280924
+C	 0.7960387445	-1.8824744089	 3.0703452114	-0.105796
+C	 1.3731940119	-0.8004428075	 2.1681611327	-0.260319
+C	 0.7456962863	-0.8793581786	 1.0018129632	 0.253934
+H	 1.1570741454	 1.8289212661	-0.1864573062	 0.130434
+H	-0.5662086042	 1.9993836815	-0.5657496844	 0.109046
+H	-0.0501744357	 1.8432691218	 1.1212046983	 0.121829
+H	-0.2736524373	-0.0405098551	-1.9334890071	 0.277796
+H	-1.7414042746	-0.1511263996	 1.3472623599	 0.110801
+H	-2.0207692554	-0.974666297	-0.2289391338	 0.094902
+H	-0.3384395474	-2.718196369	 0.3861000737	 0.090962
+H	 0.5425235043	-1.4843159483	 4.0620178035	 0.110341
+H	 1.4724602989	-2.7388828701	 3.2236278801	 0.105757
+H	 2.0560588074	-0.0386001467	 2.5223159294	 0.105575
+19
+0 1565	3.2654587	1.0493002	0.9470425	3.0725	80.23	-0.25289	-0.0601	0.19279000000000002	1298.3688	0.155308	-422.594454	-422.585363	-422.584418	-422.628113	34.131
+C	-2.0605373016	 3.6283625741	-0.7194647971	-0.420497
+C	-1.4303710978	 2.5211655061	 0.1128151806	 0.371256
+O	-1.5649180209	 2.9395832008	 1.472148704	-0.46717
+C	-2.1063048767	 1.1259905472	-0.0683569418	-0.297613
+C	-0.9740940432	 0.160135949	 0.1424755549	-0.16286
+C	 0.220483617	 0.7706464948	 0.0663106401	 0.230213
+C	 0.0674669432	 2.2483601206	-0.2116583714	-0.35575
+C	 1.5076781362	 0.0852390009	 0.2025009502	 0.061324
+O	 2.5849810158	 0.6320864673	 0.1134129262	-0.268152
+H	-3.1086861302	 3.7646510615	-0.4373137765	 0.124438
+H	-1.5384018756	 4.573539742	-0.5460711913	 0.128398
+H	-2.0123868094	 3.3924778115	-1.7860872816	 0.111982
+H	-1.1234556224	 2.2883319558	 2.0290282921	 0.279057
+H	-2.9357570422	 1.0021712395	 0.6358172233	 0.121116
+H	-2.5243705656	 1.0035897596	-1.0776273024	 0.119882
+H	-1.1123399052	-0.9038038174	 0.3093437895	 0.111669
+H	 0.7231214634	 2.8770019393	 0.3970203582	 0.128193
+H	 0.3035347119	 2.4650858051	-1.2609058404	 0.117535
+H	 1.4305276035	-1.0075688077	 0.4019845036	 0.066979
+19
+0 1566	2.6733411	1.5941802	1.2950852	2.2494	76.75	-0.23823	0.00354	0.24176999999999998	1042.8137	0.15619	-422.528323	-422.5199	-422.518955	-422.56072	32.747
+C	-0.0149066755	 1.5356571768	 0.0247240556	-0.423386
+C	-0.0001097063	 0.0078903511	-0.0154714232	 0.331539
+O	 0.5844539658	-0.4649897058	-1.22068418	-0.481285
+C	-1.4439081047	-0.5900978166	 0.245505287	-0.302461
+C	-1.5065994996	-0.7082057116	 1.764468747	-0.212142
+C	-0.2634116815	-0.7902337444	 2.225296546	 0.195149
+C	 0.7226922181	-0.277321014	 3.2430045066	-0.158576
+O	 1.5430501452	 0.2116859552	 2.1340596659	-0.309348
+C	 0.7752521309	-0.5992226504	 1.1767738076	 0.089957
+H	 1.0008515068	 1.927203867	-0.0659630581	 0.136241
+H	-0.6211517644	 1.9271383884	-0.8012674271	 0.098847
+H	-0.4419514139	 1.9037496622	 0.9607509443	 0.125827
+H	 0.1601007338	-0.0136323872	-1.9575571356	 0.276262
+H	-2.2331950012	 0.061020821	-0.1485989836	 0.097324
+H	-1.5311260162	-1.553511377	-0.2717819673	 0.115134
+H	-2.4208302304	-0.6091474846	 2.3379112763	 0.099836
+H	 0.3875989521	 0.5239509689	 3.9102244853	 0.119302
+H	 1.2637607789	-1.0370301773	 3.8217298655	 0.11106
+H	 1.373134572	-1.4572858118	 0.8460149279	 0.090717
+19
+0 1567	2.5180981	1.5193616	1.2025026	4.8436	77.62	-0.25864	-0.04303	0.21560999999999997	1106.3314	0.156252	-422.614904	-422.606167	-422.605223	-422.647816	33.356
+C	-1.2399468024	-1.0624396251	-2.5374377558	-0.413816
+C	-1.8227303898	-1.1687850935	-1.122084145	 0.34536
+C	-2.5484453604	-2.4987363598	-0.9328523175	-0.413993
+C	-2.7474992418	 0.0180213669	-0.798533687	-0.291916
+C	-1.9677612834	 1.2661350514	-0.5084645943	-0.066813
+C	-0.7074527588	 1.1992014885	-0.078807002	-0.182111
+C	-0.0489500898	-0.097821297	 0.1930794899	 0.406721
+O	 1.0042432004	-0.1941091817	 0.7707071603	-0.339892
+O	-0.7128844228	-1.2224483419	-0.1796413577	-0.275997
+H	-0.5098038387	-1.8598851064	-2.6968156275	 0.134863
+H	-2.0323631506	-1.1633787174	-3.2856222208	 0.11667
+H	-0.7413910501	-0.1023903587	-2.6937437714	 0.127233
+H	-2.8928638997	-2.6030172801	 0.0994804393	 0.126614
+H	-3.4146361691	-2.5588475586	-1.5989055603	 0.116551
+H	-1.8787588354	-3.3330235311	-1.1570452158	 0.131797
+H	-3.4329161445	 0.1777502261	-1.6383099922	 0.118527
+H	-3.3808175725	-0.2212611165	 0.0676327745	 0.125835
+H	-2.4629379223	 2.2257827532	-0.6315787888	 0.113476
+H	-0.1146373484	 2.0726260414	 0.1640515821	 0.120892
+19
+0 1568	2.5465489	1.4176859	1.1412611	4.1913	77.78	-0.24004	-0.05055	0.18949	1128.6034	0.156199	-422.604912	-422.596129	-422.595184	-422.637857	33.852
+C	-1.4619628827	-1.036040262	 2.50625237	-0.427308
+C	-1.9896111977	-1.1500444734	 1.0699913545	 0.333963
+O	-2.7565539233	-2.346679717	 0.9306487254	-0.467469
+C	-2.8539628743	 0.0729587543	 0.6885400929	-0.299953
+C	-2.047599924	 1.2989656093	 0.3626165564	-0.048585
+C	-0.7590901181	 1.2601073209	 0.0019076889	-0.142906
+C	-0.0187463994	-0.0149229544	-0.1161170235	 0.367721
+O	 1.1669368871	-0.0462218892	-0.3776436757	-0.334299
+C	-0.8393671383	-1.2872290617	 0.0629275774	-0.3285
+H	-0.8536886605	-1.9106674953	 2.752005206	 0.131231
+H	-0.8536891078	-0.1381131966	 2.6464625128	 0.131462
+H	-2.2954041015	-0.985708276	 3.2176091881	 0.104384
+H	-3.3963012622	-2.3769296622	 1.6504390117	 0.274975
+H	-3.4617100736	-0.2053208866	-0.183829184	 0.130851
+H	-3.5675385481	 0.2987058607	 1.4916680056	 0.100465
+H	-2.5606247911	 2.2562832317	 0.4239776274	 0.10953
+H	-0.1936138766	 2.1595079698	-0.2195885843	 0.108221
+H	-1.2752178581	-1.538030289	-0.9137034221	 0.130778
+H	-0.1695522397	-2.1058764133	 0.3360830125	 0.125441
+19
+0 1569	2.1615687	1.902773	1.3949192	2.119	76.2	-0.25073	-0.00142	0.24931	1011.7699	0.1561	-422.558327	-422.549897	-422.548953	-422.59074	33.204
+C	-0.1032075855	 0.1902278435	-0.0525435294	-0.411205
+C	 1.4075012092	-0.0502732172	 0.0068394878	 0.322653
+O	 1.6657428255	-0.9290378394	 1.0799218498	-0.487435
+C	 2.1680344444	 1.3109666291	 0.0994986948	-0.322915
+C	 2.6043664731	 1.5779811299	-1.3197827709	-0.072258
+C	 2.4714199192	 0.5072576762	-2.1059513509	-0.150865
+C	 1.9363762042	-0.6338939335	-1.3275088848	 0.347732
+C	 1.5218618818	-1.9407779327	-1.8389453893	-0.248696
+O	 2.7931678351	-1.8010219905	-1.1871341125	-0.29654
+H	-0.4431083001	 0.6121431442	 0.897809482	 0.125326
+H	-0.3590604733	 0.8884620247	-0.8553347526	 0.115836
+H	-0.6386281242	-0.7483359519	-0.2178604518	 0.114864
+H	 2.3620242194	-1.5280474894	 0.7712649529	 0.2893
+H	 1.5391758189	 2.108412778	 0.5102402743	 0.105455
+H	 3.0311363726	 1.2114569869	 0.7689609684	 0.120837
+H	 2.9973292072	 2.5367801575	-1.640480367	 0.103413
+H	 2.7496150424	 0.4324644656	-3.1499883559	 0.104305
+H	 0.783332222	-2.5195612695	-1.2859943542	 0.122228
+H	 1.572765818	-2.1530528616	-2.9061422607	 0.117963
+19
+0 1570	2.3020928	1.6523256	1.2212268	2.7451	76.31	-0.24518	-0.03547	0.20971	1081.45	0.155433	-422.587142	-422.578337	-422.577393	-422.620319	33.564
+C	-1.2386874671	-1.3194843194	-1.519187375	-0.449935
+C	 0.1833442497	-0.9161222324	-1.9152061552	 0.370206
+O	 0.282510514	 0.4961836565	-2.0388478578	-0.476069
+C	 0.6388093652	-1.4738054459	-3.2896254081	-0.278557
+C	 2.1032139268	-1.7754181337	-3.1000099932	-0.066066
+C	 2.4572462867	-1.7715932167	-1.8177783909	-0.092633
+C	 1.2729987716	-1.459985481	-0.9248476027	-0.172579
+C	 1.5986371073	-0.578877392	 0.2583359151	 0.164628
+O	 0.9423992857	 0.3636002753	 0.6370396646	-0.271246
+H	-1.494696458	-0.9025183869	-0.5394468315	 0.122692
+H	-1.9517825171	-0.9294757928	-2.251221164	 0.124892
+H	-1.3522462856	-2.4076170081	-1.4678640428	 0.106991
+H	 0.1847924822	 0.8605442419	-1.1482972311	 0.290822
+H	 0.0840823506	-2.3824675722	-3.5597493129	 0.102908
+H	 0.4423952479	-0.7296395989	-4.0674542806	 0.124886
+H	 2.7683950871	-1.9993463943	-3.9264867109	 0.0995
+H	 3.4463788865	-1.9836005628	-1.4271119081	 0.098831
+H	 0.9234935621	-2.3998011121	-0.4580118024	 0.108736
+H	 2.5137965445	-0.8800589343	 0.8165554275	 0.091993
+19
+0 1571	2.4931393	1.7298215	1.3363126	2.478	75.24	-0.24798	-0.0056	0.24238	1024.7441	0.157005	-422.558017	-422.549836	-422.548892	-422.590256	32.459
+C	-0.0431815448	 0.0012436484	 0.0704496603	-0.424877
+C	 1.4836997921	-0.0134231738	 0.1307905606	 0.340239
+O	 1.9159409768	 1.33547612	 0.2432431586	-0.470078
+C	 1.9749326923	-0.8053900842	 1.3681452311	-0.280921
+C	 3.4387872178	-1.1614761874	 1.3128652389	-0.065357
+C	 4.0915428934	-1.3688330484	 0.1687865711	-0.083457
+C	 3.386852126	-1.2638987872	-1.1317264567	 0.008154
+O	 3.2078930461	 0.0643224489	-1.6927334136	-0.267715
+C	 2.065594173	-0.6228466057	-1.1668293766	-0.019639
+H	-0.452046151	 0.435835327	 0.9870889062	 0.124307
+H	-0.3766337503	 0.6113398454	-0.7736904114	 0.123917
+H	-0.4462519152	-1.0106472311	-0.042970306	 0.108966
+H	 2.7327996541	 1.3980745298	-0.2717577387	 0.290904
+H	 1.7706332594	-0.1870729037	 2.2479163237	 0.119057
+H	 1.3848111344	-1.7254923801	 1.4928541915	 0.107255
+H	 3.9636029535	-1.2633874284	 2.2594450199	 0.099313
+H	 5.1447462364	-1.6323449503	 0.1576877495	 0.096469
+H	 3.6360883894	-2.0051814193	-1.8898323567	 0.099552
+H	 1.3434548167	-0.9239845398	-1.9246114616	 0.093911
+19
+0 1572	2.2572446	1.7437031	1.2960009	3.2135	76.25	-0.2322	-0.01694	0.21525999999999998	1053.1608	0.156065	-422.598486	-422.589611	-422.588667	-422.63157	33.943
+C	 0.0388394398	 2.5440774089	-0.1157467399	-0.414115
+C	-0.8273550149	 1.2985195656	-0.0313296843	 0.243452
+O	-1.4722280654	 1.3164894072	 1.2504653192	-0.470336
+C	-1.8850208971	 1.2311300127	-1.1518095333	-0.296606
+C	-2.6370941309	-0.0772069698	-1.1338109908	-0.093541
+C	-2.157041958	-1.1898153043	-0.5748596785	-0.052168
+C	-0.7965776909	-1.276526483	 0.0714224969	-0.374999
+C	 0.0138259273	 0.0071231512	-0.0914729208	 0.396016
+O	 1.2100647861	-0.0004912873	-0.2495466684	-0.318716
+H	 0.7253017511	 2.5812025062	 0.7325840494	 0.135238
+H	 0.6334974923	 2.5391707529	-1.0316587005	 0.125877
+H	-0.5916947421	 3.4371724287	-0.0968565043	 0.113424
+H	-2.2423947801	 0.7379510878	 1.1993535399	 0.285672
+H	-2.5751359151	 2.0737423849	-1.0186913128	 0.117005
+H	-1.4042607882	 1.3804449913	-2.1286177787	 0.1254
+H	-3.6169535629	-0.0925771743	-1.6038393774	 0.097866
+H	-2.7478708175	-2.1023283313	-0.5876999647	 0.100051
+H	-0.8963009401	-1.4844318626	 1.1468242921	 0.143226
+H	-0.2082458234	-2.103392975	-0.340388923	 0.137254
+19
+0 1573	2.4215341	1.5055578	1.1757215	4.4635	75.38	-0.22824	-0.08658	0.14166	1122.1156	0.155229	-422.604801	-422.595552	-422.594608	-422.638639	34.237
+C	-0.67765282	 1.8397407048	-1.2751488874	-0.421732
+C	-0.8938660444	 1.254574365	 0.1408151813	 0.155912
+C	-0.5535288831	 2.3011967728	 1.204149269	-0.429515
+C	-2.322726621	 0.6598344544	 0.2814725841	-0.264822
+C	-2.2703149861	-0.7620826035	-0.3189907447	-0.342544
+C	-0.8507570024	-1.2402691786	-0.0599780031	 0.32266
+O	-0.4245618943	-2.3627502376	-0.0738476351	-0.276966
+C	 0.0067267353	 0.0239304871	 0.2604657266	 0.29865
+O	 1.1731663614	-0.0038968373	 0.5485173509	-0.298842
+H	-0.8976692076	 1.1141988675	-2.0652943113	 0.120197
+H	-1.3348248944	 2.7032055261	-1.421914354	 0.124595
+H	 0.3586996369	 2.1660284836	-1.4001641799	 0.139326
+H	-0.7150011446	 1.908787482	 2.213086055	 0.119667
+H	 0.4965021667	 2.5956378044	 1.1247169447	 0.138153
+H	-1.1761125262	 3.1937419501	 1.0830097363	 0.1146
+H	-2.5856889878	 0.5981811094	 1.3432759592	 0.112137
+H	-3.0743191341	 1.2912964837	-0.1996520934	 0.109453
+H	-3.0046681093	-1.4563495357	 0.095316303	 0.138068
+H	-2.4260963552	-0.7446062883	-1.4054268409	 0.141004
+19
+0 1574	3.3234917	1.2210116	1.1198594	4.9455	78.28	-0.26199	-0.04516	0.21683	1164.4039	0.156737	-422.609382	-422.600635	-422.59969	-422.642372	33.149
+C	-3.6001601185	 0.1835585369	-2.2468095665	-0.429219
+C	-2.7885175488	 0.0254299461	-0.9492711578	 0.181189
+C	-3.7309459975	-0.308180447	 0.2279617848	-0.415259
+C	-1.7437243493	-1.0803154213	-1.1488400936	-0.095566
+O	-0.7795338883	-1.1532738392	-0.089852692	-0.245346
+C	-0.1569754863	-0.0032810789	 0.2895317812	 0.412617
+O	 0.8274607525	-0.0577384924	 0.9797941191	-0.338912
+C	-0.8006070044	 1.2657213468	-0.1220182421	-0.217288
+C	-2.0281257214	 1.2945069436	-0.6448840141	-0.058633
+H	-4.1105724866	-0.7511556511	-2.5021395046	 0.122681
+H	-4.3641780661	 0.9590775611	-2.1316661033	 0.122663
+H	-2.9599455011	 0.4628233981	-3.0896963788	 0.124082
+H	-4.3426613598	-1.18529181	-0.0101744707	 0.11839
+H	-3.1617462989	-0.5217130179	 1.1361585406	 0.13939
+H	-4.4066286998	 0.5271000451	 0.4373122416	 0.118928
+H	-2.2119493296	-2.0677088304	-1.1792869572	 0.119777
+H	-1.2134386001	-0.9205324731	-2.0969913207	 0.109437
+H	-0.2406140949	 2.1605954034	 0.1221453907	 0.122849
+H	-2.524203891	 2.2425250801	-0.8438991967	 0.108221
+19
+0 1575	3.2642424	1.219269	1.1081361	3.5691	79.3	-0.23292	-0.05559	0.17733	1172.8154	0.155757	-422.587492	-422.578621	-422.577676	-422.620714	33.668
+C	-3.6188982469	-0.3740399032	-1.0718319178	-0.415075
+C	-2.9302771789	-0.0055572559	 0.259329356	 0.306199
+C	-3.9714739476	 0.1520936583	 1.3750377009	-0.411373
+O	-2.0843117249	-1.068695752	 0.7040519746	-0.289253
+C	-0.8404749407	-1.2024793711	 0.0454049457	-0.198527
+C	-0.0209683401	 0.0846041794	 0.0209404532	 0.349161
+O	 1.1880349137	 0.067308926	-0.0858113804	-0.322051
+C	-0.8147922152	 1.3252887082	 0.048139043	-0.193079
+C	-2.1502279701	 1.27738364	 0.1021993872	-0.052042
+H	-4.2011035758	-1.2904744817	-0.9405739001	 0.129233
+H	-4.2938773652	 0.4241441701	-1.3951486798	 0.120098
+H	-2.8879165467	-0.5337756206	-1.8690907062	 0.123453
+H	-4.4996247267	-0.7947413318	 1.5155007423	 0.130145
+H	-3.481572275	 0.4172565944	 2.3151240827	 0.130662
+H	-4.701459403	 0.9268586251	 1.1236713302	 0.114763
+H	-0.2792669725	-1.9715049855	 0.5811862831	 0.137599
+H	-0.9556948547	-1.5465444987	-0.9968735819	 0.114056
+H	-0.2665212909	 2.2581583762	-0.0379869331	 0.113344
+H	-2.7406068287	 2.1888997729	 0.0337440603	 0.112687
+19
+0 1576	3.2896242	1.1853403	1.0669963	4.1979	78.65	-0.23747	-0.05238	0.18508999999999998	1189.5551	0.156447	-422.60193	-422.593131	-422.592187	-422.634997	33.799
+C	-4.0142037747	 0.3862858287	-1.4336749414	-0.449813
+C	-2.9345582542	 0.0973889848	-0.3839252317	 0.316979
+O	-3.5467702225	-0.1351142364	 0.8954837517	-0.466849
+C	-2.070082705	-1.1089598671	-0.7951933524	-0.245635
+C	-0.8482862834	-1.2620188354	 0.1158639292	-0.327008
+C	 0.0014361497	-0.0004416235	 0.1306769337	 0.382731
+O	 1.2088921786	-0.0207094381	 0.255738517	-0.330177
+C	-0.7476670933	 1.2757515483	 0.028684441	-0.170361
+C	-2.0670667347	 1.3233488994	-0.1763213303	-0.02402
+H	-4.6592722645	 1.2033052747	-1.0975867421	 0.127293
+H	-3.5726518397	 0.6623751521	-2.3960092148	 0.128232
+H	-4.6373717937	-0.5015771171	-1.5960438415	 0.111099
+H	-4.2488051821	-0.7836300006	 0.7678373027	 0.27889
+H	-2.6874112786	-2.014963371	-0.7678687516	 0.090457
+H	-1.7458730486	-0.9786377679	-1.8347608249	 0.106802
+H	-1.1920444205	-1.4299013484	 1.1446782071	 0.138697
+H	-0.2165661584	-2.1070426022	-0.1669290119	 0.116843
+H	-0.1559121059	 2.1775655455	 0.1549039858	 0.109497
+H	-2.5857319388	 2.2794680842	-0.1894046157	 0.106342
+19
+0 1577	2.9695732	1.2931487	1.1443654	1.4653	76.3	-0.25861	0.03344	0.29205000000000003	1155.4915	0.154585	-422.529246	-422.519893	-422.518949	-422.563479	34.848
+C	 0.1687775736	-1.0446223759	-0.5955817251	-0.417783
+C	 1.2375930101	-0.0510413368	-0.1374365875	 0.373244
+C	 2.2110379139	-0.6691861324	 0.8632161868	-0.426733
+C	 1.951557199	 0.6274190346	-1.331450989	-0.154327
+O	 1.205449827	 1.8203600022	-1.541825496	-0.233713
+C	 0.8316793499	 2.2351828801	-0.2478880219	-0.022986
+O	 0.5527981949	 1.0627414191	 0.489187213	-0.2883
+C	 1.8881821878	 3.0396057097	 0.3998875048	 0.346732
+C	 2.7369796993	 3.7089902548	 0.924962389	-0.453116
+H	-0.4541474188	-1.3445811138	 0.251640334	 0.125663
+H	-0.4753492448	-0.5862508315	-1.3512455568	 0.126944
+H	 0.6266796795	-1.943094245	-1.0225488625	 0.111513
+H	 1.669313049	-1.0880642364	 1.7159519932	 0.126057
+H	 2.7859304929	-1.4759171636	 0.3954379361	 0.114441
+H	 2.9076736623	 0.086575313	 1.2350247334	 0.130332
+H	 2.9978127995	 0.8605105818	-1.0902641521	 0.104556
+H	 1.9136354975	 0.0401043021	-2.2507488937	 0.118781
+H	-0.0860956909	 2.8262964354	-0.338042217	 0.117798
+H	 3.4847905483	 4.3031243327	 1.3900950014	 0.200897
+19
+0 1578	3.3691459	1.1012904	1.0513356	0.5917	77.66	-0.25474	0.02979	0.28453	1239.4353	0.154053	-422.534315	-422.524782	-422.523838	-422.568991	35.27
+C	-0.2117733401	-0.434595505	 0.28479124	-0.414683
+C	 1.1914069935	 0.0487819701	-0.0568916982	 0.457063
+C	 2.2347296606	-0.3644668641	 0.9811622033	-0.409945
+O	 1.5269505221	-0.4494448611	-1.3498017374	-0.281712
+C	 2.2557304217	 0.561548521	-2.0122188809	-0.126897
+C	 1.5828897928	 1.8463797566	-1.4897481836	-0.058384
+O	 1.1996449706	 1.4816982205	-0.1649212303	-0.309823
+C	 2.4494737742	 3.0165908922	-1.4892739293	 0.307625
+C	 3.1707401357	 3.9763987612	-1.5274766005	-0.443129
+H	-0.5198626909	-0.0390291844	 1.2558220633	 0.125778
+H	-0.9161586758	-0.0941379339	-0.4773674392	 0.122381
+H	-0.2365714063	-1.5269496742	 0.3249876232	 0.124726
+H	 2.242173708	-1.4513746646	 1.0996361932	 0.120949
+H	 3.2300457522	-0.0345732079	 0.6732846447	 0.120648
+H	 2.0066773313	 0.0959256618	 1.9460587347	 0.127255
+H	 3.3220545891	 0.5513786865	-1.7472811038	 0.107151
+H	 2.1498152537	 0.4245380525	-3.0901284699	 0.123285
+H	 0.6833491091	 2.0596067362	-2.0866929536	 0.105592
+H	 3.8041492385	 4.8286175666	-1.5524053958	 0.202122
+19
+0 1579	2.8259768	1.3434489	1.1631734	1.1331	76.7	-0.25307	0.02797	0.28104	1132.9031	0.154995	-422.534895	-422.525559	-422.524615	-422.569213	35.11
+C	-3.4323653715	 2.4376985661	-1.0467249255	-0.429164
+C	-2.4755066864	 2.3151399763	 0.1324061347	 0.355906
+O	-3.0576848007	 3.0784954867	 1.1848045304	-0.47839
+C	-1.0411581679	 2.7977311098	-0.1895732092	-0.106199
+O	-0.1237244536	 1.963878716	 0.5296008172	-0.260663
+C	-0.8423073443	 0.989259534	 1.2887749491	-0.082811
+C	-2.2042203953	 0.8622654353	 0.58004436	-0.273206
+C	-0.9661689107	 1.3988517	 2.6973708912	 0.334951
+C	-1.0660469171	 1.7458040871	 3.8454555431	-0.471147
+H	-3.0758980209	 1.8636988746	-1.9063638694	 0.11263
+H	-4.4234592991	 2.0728962406	-0.7638586251	 0.127828
+H	-3.5333776428	 3.4861756445	-1.3425801198	 0.127749
+H	-2.5220320111	 2.9699035412	 1.9811056278	 0.282142
+H	-0.8125938481	 2.7140798387	-1.2592440465	 0.097826
+H	-0.9195208337	 3.8427932041	 0.115417704	 0.112213
+H	-0.2680876933	 0.0574341754	 1.2463094606	 0.112198
+H	-2.0895581989	 0.2081978875	-0.2894784078	 0.107177
+H	-2.9995733376	 0.4765896992	 1.2190226469	 0.122758
+H	-1.1417712771	 2.042596373	 4.8629183182	 0.208203
+19
+0 1580	3.6947159	0.987659	0.9427904	3.325	81.69	-0.2463	-0.06373	0.18257	1324.8783	0.154589	-422.581867	-422.572424	-422.57148	-422.616378	34.119
+C	-1.6118038178	-3.3643810027	-1.2786545751	-0.405519
+C	-1.2081457488	-2.6065195582	-0.0040047454	 0.346104
+C	-1.5808865504	-3.4063916902	 1.2543243812	-0.40551
+O	-1.9046769992	-1.3453972475	 0.0252813925	-0.313201
+C	-0.9943204642	-0.2488637709	 0.0336433474	-0.174859
+C	 0.3730108868	-0.88046024	 0.0060988868	 0.208369
+C	 1.6264322336	-0.1258664657	 0.0037827182	 0.073794
+O	 1.6841457751	 1.0840574871	 0.0239245173	-0.264543
+C	 0.2459994193	-2.2098878688	-0.0150505748	-0.23162
+H	-1.1121954139	-4.3368708899	-1.3352051629	 0.113342
+H	-2.6928686797	-3.5308497774	-1.2788595703	 0.130593
+H	-1.3517740694	-2.7849728455	-2.1683128942	 0.122792
+H	-1.08030745	-4.3799516264	 1.2664893274	 0.113345
+H	-1.2991180339	-2.8566302861	 2.1560976773	 0.122785
+H	-2.6616714246	-3.5733540395	 1.2753153161	 0.130587
+H	-1.16626822	 0.3992616162	-0.8371087232	 0.120717
+H	-1.1448472462	 0.3682287433	 0.9305431152	 0.120669
+H	 2.5472981847	-0.7493334642	-0.0181868791	 0.072942
+H	 1.0554284086	-2.9307048636	-0.0371836443	 0.119214
+19
+0 1581	3.6071824	0.96969	0.9140241	3.6014	80.91	-0.24957	-0.05768	0.19188999999999998	1336.3262	0.155456	-422.592154	-422.582896	-422.581952	-422.626106	34.247
+C	-1.38003925	-3.4648089377	 1.3576201964	-0.444063
+C	-1.1769408654	-2.7563092876	 0.0112768606	 0.37831
+O	-1.5627146192	-3.6163506625	-1.0620397975	-0.465959
+C	-1.9955066621	-1.4445875453	-0.1183268802	-0.262525
+C	-1.0151866614	-0.2887737425	 0.1912082441	-0.32103
+C	 0.3380983369	-0.9249512767	-0.0348725523	 0.240335
+C	 1.5909948026	-0.167111953	-0.1084883552	 0.074969
+O	 1.6665074001	 1.0351813501	 0.0184365639	-0.268953
+C	 0.2488885763	-2.2571363427	-0.136902481	-0.215818
+H	-0.7086545877	-4.3268218446	 1.4556164629	 0.108037
+H	-1.176603783	-2.7912612209	 2.1956115728	 0.128198
+H	-2.4124422198	-3.819676387	 1.4353175257	 0.130452
+H	-1.1983006545	-4.4922130809	-0.8944630333	 0.276898
+H	-2.3348637795	-1.3835141339	-1.1556346454	 0.125302
+H	-2.8808063844	-1.4441893283	 0.5220230764	 0.101316
+H	-1.1672313696	 0.5907544213	-0.4404331752	 0.126371
+H	-1.1018738881	 0.0618698259	 1.2271349585	 0.118965
+H	 2.4978588138	-0.7848912709	-0.2965129024	 0.066927
+H	 1.087709365	-2.9324736328	-0.2815181488	 0.102269
+19
+0 1582	2.2323612	1.4782381	1.3226853	2.3089	77.27	-0.2482	0.02372	0.27192	1098.2834	0.152635	-422.514668	-422.504549	-422.503605	-422.549471	37.44
+C	 0.0470040224	 0.2497479788	 0.2164971406	-0.43304
+C	 1.5460337522	 0.0327313947	 0.0813056093	 0.359999
+C	 2.2331576621	-0.1440400359	 1.4265477704	-0.423357
+O	 1.8153504038	-1.1042318045	-0.7889471863	-0.319817
+C	 2.5394502534	-0.3086984068	-1.7353139497	-0.096979
+C	 2.3187287966	 0.9897561637	-0.9285606911	 0.105138
+O	 3.5594165557	 1.4971322719	-0.4712311831	-0.456458
+C	 1.5330930207	 2.0382506972	-1.5623485969	 0.301549
+C	 0.9101426599	 2.9377049908	-2.0619084921	-0.482048
+H	-0.3999279901	-0.6077353113	 0.7295149266	 0.122347
+H	-0.1679695793	 1.1515925199	 0.7986232704	 0.115197
+H	-0.4264968461	 0.3504180721	-0.7622994495	 0.126801
+H	 1.8331812099	-1.0372220346	 1.916603515	 0.123231
+H	 3.3107409966	-0.2594558758	 1.3053318544	 0.134126
+H	 2.0473282687	 0.7155190542	 2.0795759357	 0.108036
+H	 3.6007565498	-0.5765606467	-1.7938066342	 0.11466
+H	 2.0923982195	-0.3306589597	-2.7345995139	 0.10988
+H	 3.4041231475	 2.3657314103	-0.0844755375	 0.286546
+H	 0.3559460066	 3.7234735416	-2.513618848	 0.204189
+19
+0 1583	2.1751787	1.4880638	1.3472543	1.0655	77.46	-0.24548	0.02549	0.27097	1088.8861	0.153599	-422.527186	-422.517405	-422.516461	-422.560991	37.35
+C	-1.6358571645	-1.639923285	-0.8615910335	-0.426093
+C	-2.1971882469	-0.9058650243	 0.341555435	 0.375906
+O	-3.3003970448	-0.1548679641	-0.0827270332	-0.47868
+C	-2.3884607079	-1.8028823102	 1.6060212309	-0.288846
+C	-1.0785502249	-1.2262577299	 2.2011008994	-0.25579
+C	-1.1294069612	-0.0607272201	 1.1782498551	 0.178782
+O	-1.7936036288	 1.0454532721	 1.8002320684	-0.479765
+C	 0.0946369152	 0.3640332843	 0.5250038831	 0.248918
+C	 1.0889086249	 0.7344677053	-0.0427074378	-0.452718
+H	-2.4037935317	-2.3006664089	-1.2752548899	 0.123835
+H	-1.3327083013	-0.9290874421	-1.6346964295	 0.128511
+H	-0.7671081153	-2.2449396814	-0.5887060061	 0.116986
+H	-3.5104669415	 0.4385837657	 0.6511179427	 0.276338
+H	-3.2720737322	-1.5010105661	 2.1732050258	 0.106775
+H	-2.4311182791	-2.8808655468	 1.4357537299	 0.100617
+H	-1.0990377048	-0.8958494713	 3.2404792245	 0.118949
+H	-0.2100971574	-1.8672324934	 2.0414692905	 0.116709
+H	-1.6854567519	 1.8056816172	 1.2175004845	 0.290305
+H	 1.973926104	 1.0537967292	-0.5357840797	 0.19926
+19
+0 1584	2.1863719	1.5403845	1.3606469	0.6676	77.17	-0.25861	0.0205	0.27911	1081.2435	0.153019	-422.517619	-422.507788	-422.506843	-422.55148	37.111
+C	 2.9566866322	-0.0038856955	-1.1574053316	-0.428404
+C	 2.6531982826	-0.2306022075	 0.3133912384	 0.317238
+O	 3.3994560291	-1.3381146353	 0.7244792532	-0.473395
+C	 2.7125405691	 1.0580494144	 1.1729471201	-0.125741
+O	 1.2731925352	 1.1635358549	 1.1798988747	-0.304082
+C	 1.1093188163	-0.1968341487	 0.7011955551	 0.12414
+C	 0.0376952552	-0.3011706618	-0.3744283841	-0.454061
+C	 0.8356967639	-1.1135821731	 1.8117486481	 0.328611
+C	 0.6656112447	-1.8771690541	 2.7268199214	-0.458912
+H	 2.638393659	-0.8610873056	-1.7568881154	 0.127009
+H	 2.4663592689	 0.8973984054	-1.5315607978	 0.126608
+H	 4.0375246015	 0.1134792169	-1.2806947197	 0.130426
+H	 3.0491656901	-1.6373189068	 1.5743237958	 0.280822
+H	 3.1194266184	 0.8838045353	 2.1780242775	 0.09923
+H	 3.1846972214	 1.9423343286	 0.7325364852	 0.106187
+H	-0.9411958813	-0.0713979796	 0.0556526066	 0.138289
+H	 0.2349602235	 0.4052348713	-1.1824439163	 0.126459
+H	 0.0030669979	-1.3158830481	-0.7815675229	 0.133426
+H	 0.478763942	-2.5400646805	 3.5360690216	 0.20615
+19
+0 1585	2.5200556	1.3248476	1.0724164	1.8467	76.28	-0.2511	0.04155	0.29264999999999997	1187.7597	0.154072	-422.513691	-422.504012	-422.503068	-422.548226	35.821
+C	 4.4449912064	 0.4880556294	-2.6065531928	-0.457818
+C	 4.2739515752	 0.9629732763	-1.1717385218	 0.339951
+O	 4.6809447888	-0.0190714192	-0.2406558835	-0.471651
+C	 4.8901392961	 2.3282053848	-0.8051533789	-0.10104
+O	 3.5895566305	 2.9045394329	-0.5470081667	-0.292747
+C	 2.9184726869	 1.6662924461	-0.8460308331	 0.091484
+C	 2.1406229846	 1.1223128971	 0.3566542092	-0.367956
+C	 1.6002229307	-0.202179818	 0.0719170606	 0.283893
+C	 1.196804342	-1.2999659964	-0.2114614049	-0.459358
+H	 3.7952961302	-0.3726638545	-2.8035461836	 0.119874
+H	 4.1826269218	 1.2754359006	-3.3198779286	 0.123406
+H	 5.4814125767	 0.1851160441	-2.7842864911	 0.127045
+H	 4.1100874813	-0.789490509	-0.3529986981	 0.285946
+H	 5.5184776349	 2.2986898754	 0.0912509235	 0.1135
+H	 5.4159644867	 2.8510548369	-1.6123057835	 0.100574
+H	 2.246694319	 1.7737726444	-1.7074640768	 0.07834
+H	 2.8151385088	 1.0737745861	 1.2171041848	 0.147357
+H	 1.3348621382	 1.8220670787	 0.60704805	 0.13783
+H	 0.8111202212	-2.2633565357	-0.4375528846	 0.201369
+19
+0 1586	2.3393483	1.4258886	1.1032226	1.5891	79.61	-0.24652	-0.06657	0.17995	1169.6487	0.154496	-422.57832	-422.568908	-422.567964	-422.612501	34.089
+C	-1.2369618319	 0.6099989615	 1.2844043569	-0.409956
+C	-1.0168714898	-0.2123646934	 0.0072198653	 0.269129
+C	-1.2227780935	 0.6474817554	-1.2474451574	-0.409955
+O	-1.984311435	-1.2857010763	-0.0140960881	-0.309595
+C	-1.344890963	-2.553708729	-0.0292215154	-0.133418
+C	 0.1198365969	-2.2603795535	-0.0166944072	-0.176279
+C	 0.3189518766	-0.9396009721	 0.0039410081	 0.187805
+C	 1.6385177829	-0.2833032129	 0.0210368827	 0.074134
+O	 2.6956909387	-0.8732630183	 0.0179409714	-0.263993
+H	-1.1110608896	-0.0175110401	 2.1705774747	 0.12132
+H	-0.5299871438	 1.444206641	 1.3456523332	 0.114671
+H	-2.2507948855	 1.0206430012	 1.2913402736	 0.127926
+H	-1.0868419809	 0.0464610855	-2.1503392423	 0.121323
+H	-2.236542603	 1.0583075109	-1.253583919	 0.127926
+H	-0.5153092325	 1.4830277975	-1.2760410677	 0.114671
+H	-1.6534175031	-3.150866969	 0.8443528689	 0.117184
+H	-1.6435262612	-3.1247813539	-0.9234306125	 0.117186
+H	 0.8987939827	-3.012373087	-0.0234457949	 0.138769
+H	 1.6138546951	 0.8287065326	 0.0371668395	 0.071152
+19
+0 1587	2.2386966	1.4592103	1.0858307	3.1848	79.	-0.24381	-0.06057	0.18324000000000001	1174.4441	0.155451	-422.59001	-422.580752	-422.579808	-422.623932	34.189
+C	-1.2061843444	 0.5089370176	-1.3525210457	-0.411534
+C	-1.0460386556	-0.2280733628	-0.0204785322	 0.29298
+O	-1.2127653759	 0.7760470745	 0.9818408592	-0.468538
+C	-2.0480479956	-1.4124949423	 0.1340848508	-0.271275
+C	-1.2389915089	-2.7019099181	-0.1479400526	-0.267923
+C	 0.1878609342	-2.2609933358	 0.0232955391	-0.145306
+C	 0.3045199111	-0.9282065162	 0.0891286331	 0.165314
+C	 1.575433284	-0.1939819321	 0.239704	 0.067771
+O	 2.6651882925	-0.7185528313	 0.3208352706	-0.269566
+H	-1.1513243517	-0.1912034937	-2.1908818838	 0.117685
+H	-2.1745198204	 1.0173595349	-1.3785105586	 0.127581
+H	-0.4231481812	 1.2622165676	-1.4781665315	 0.125421
+H	-1.0854862029	 0.3590091334	 1.8412299232	 0.274576
+H	-2.4108383229	-1.4192594453	 1.1674579495	 0.101162
+H	-2.9228733805	-1.3024960415	-0.5111406287	 0.10779
+H	-1.5048039123	-3.5345564307	 0.5129649527	 0.117394
+H	-1.3987305504	-3.06952956	-1.171324587	 0.125082
+H	 1.0304150553	-2.9429147738	 0.0620019718	 0.128527
+H	 1.4693544558	 0.9102602657	 0.2887410701	 0.08286
+19
+0 1588	2.238613	1.7989939	1.2841891	3.0542	78.03	-0.23174	-0.05496	0.17678	1055.028	0.155769	-422.588483	-422.579585	-422.578641	-422.621603	33.621
+C	-1.127515291	 1.7372157964	 1.488551141	-0.426706
+C	-0.8743117663	 1.2998010718	 0.0338844633	 0.235096
+C	-0.1752982368	 2.4015036027	-0.7579016308	-0.410039
+O	-2.1056381539	 1.0547664436	-0.6624582938	-0.28947
+C	-2.8673877824	-0.0487476311	-0.2343800919	-0.134246
+C	-2.0598780475	-1.2977906733	-0.0652689274	-0.066998
+C	-0.7262364213	-1.2602087077	 0.0179778883	-0.146348
+C	-0.0050173144	 0.0257434728	 0.0557084739	 0.354269
+O	 1.2027353005	 0.0856231767	 0.1746487975	-0.342157
+H	-1.6096377202	 0.9498120441	 2.0762925289	 0.117207
+H	-0.1783618213	 1.9799127115	 1.9731872064	 0.139112
+H	-1.7695119297	 2.6227547582	 1.4995097083	 0.124803
+H	 0.8269798092	 2.5658156725	-0.3599707501	 0.139376
+H	-0.0915535137	 2.1124604633	-1.8086453955	 0.124282
+H	-0.7514377031	 3.3287043363	-0.6982195644	 0.114836
+H	-3.4107916009	 0.1629168499	 0.7056494267	 0.111003
+H	-3.6359777699	-0.2006495228	-1.0017717812	 0.128138
+H	-2.6053835678	-2.2369235426	-0.0045772351	 0.114742
+H	-0.1175320593	-2.153058792	 0.1191179459	 0.113101
+19
+0 1589	2.2734249	1.7463217	1.2505313	3.8673	77.88	-0.2353	-0.05691	0.17839	1065.3915	0.156422	-422.600419	-422.591496	-422.590552	-422.633496	33.902
+C	 0.0222604983	 2.5135519874	 0.3035404612	-0.412344
+C	-0.8324769348	 1.29808969	-0.0172997411	 0.25054
+O	-1.2962911451	 1.4787439307	-1.3669093898	-0.471351
+C	-2.0219413331	 1.1516007408	 0.9474840539	-0.235602
+C	-2.9021317523	-0.0577926601	 0.6044436608	-0.293657
+C	-2.0937893227	-1.2865874111	 0.2987594364	-0.040484
+C	-0.7804806634	-1.2607247441	 0.0306381737	-0.158934
+C	 0.0035975826	-0.0033675306	 0.0032414451	 0.354052
+O	 1.2149949088	-0.008047677	-0.0579757359	-0.3353
+H	 0.3617970305	 2.4868731032	 1.3424922016	 0.115635
+H	 0.9004491935	 2.5334554536	-0.3429441109	 0.141577
+H	-0.5622432203	 3.4240622097	 0.1449075149	 0.116365
+H	-1.6350101423	 0.637568755	-1.6928731339	 0.284264
+H	-1.6316740299	 1.0353438878	 1.9663478102	 0.108525
+H	-2.6138253469	 2.0723562111	 0.9277746991	 0.108369
+H	-3.5989549111	-0.2721135873	 1.4231342842	 0.119361
+H	-3.5415566859	 0.1708407477	-0.2609700654	 0.127483
+H	-2.6209018422	-2.2387981826	 0.3006179002	 0.110498
+H	-0.2163555038	-2.1689690942	-0.1589862944	 0.111004
+19
+0 1590	2.2924114	1.6064746	1.259218	1.0538	76.41	-0.2499	0.02995	0.27985	1087.9239	0.154437	-422.529872	-422.520364	-422.519419	-422.564155	35.013
+C	 0.324128185	-1.1155550928	-0.5277303486	-0.426995
+C	 1.4650451877	-0.2045265045	-0.093360887	 0.369707
+C	 2.2734193197	-0.8143348209	 1.0585239339	-0.422983
+O	 0.9059181283	 1.0505188384	 0.3355363795	-0.301728
+C	 1.6988961973	 2.1058963821	-0.1685538517	 0.015741
+O	 2.8462875589	 1.5343137472	-0.7579918239	-0.240842
+C	 2.4308632483	 0.2534371248	-1.2306078338	-0.169843
+C	 1.8302278987	 0.3335338399	-2.5640745059	 0.361642
+C	 1.3583157559	 0.4150952033	-3.6665422289	-0.457875
+H	-0.3222519613	-1.3286656666	 0.3282592041	 0.123491
+H	-0.2731894286	-0.6421503694	-1.3083447873	 0.134891
+H	 0.7097382087	-2.065781487	-0.910031414	 0.116624
+H	 1.6384482787	-0.9054907873	 1.9437216748	 0.124639
+H	 2.6459462045	-1.8100790113	 0.7960205951	 0.112473
+H	 3.1254031287	-0.176286819	 1.3083474196	 0.12939
+H	 1.1153574775	 2.6758405804	-0.9092050386	 0.100168
+H	 2.0323983154	 2.7685912965	 0.6385824213	 0.112796
+H	 3.3246915938	-0.3757966195	-1.267526755	 0.116309
+H	 0.9446486027	 0.4839461457	-4.6425768138	 0.202395
+19
+0 1591	2.2627663	1.5611762	1.1677914	1.0407	76.69	-0.24607	0.02762	0.27369	1120.3358	0.154902	-422.53331	-422.5238	-422.522856	-422.567719	35.328
+C	-1.4906213137	 1.7778213385	 2.4226892352	-0.441655
+C	-1.022277408	 1.5045350764	 0.9941475347	 0.368082
+O	 0.1596926799	 2.2235928879	 0.6884164212	-0.475798
+C	-2.1008025447	 1.8500493389	-0.0521733425	-0.284525
+C	-2.8485754233	 0.5172182319	-0.2891843506	-0.077035
+O	-2.186729274	-0.4835839157	 0.4943038705	-0.261127
+C	-0.8610463549	-0.0236872609	 0.7079366633	-0.084241
+C	-0.2011110303	-0.7923417921	 1.7515751957	 0.285779
+C	 0.3962349153	-1.3877180466	 2.6079607493	-0.427723
+H	-2.4001076344	 1.2133087622	 2.6470515802	 0.133668
+H	-0.7282063563	 1.4775212436	 3.1486999219	 0.119189
+H	-1.6946471812	 2.8449168223	 2.5472672959	 0.119949
+H	 0.8042779059	 2.0354971479	 1.3799865799	 0.281879
+H	-2.7623979243	 2.64722771	 0.2931134281	 0.110201
+H	-1.6003440066	 2.1965007318	-0.9592367577	 0.121626
+H	-3.8922748295	 0.5429485291	 0.0357349615	 0.1126
+H	-2.8296532558	 0.2340835697	-1.3505647436	 0.10166
+H	-0.2645419911	-0.1031464548	-0.2178366365	 0.098054
+H	 0.910285567	-1.9322970202	 3.3612629635	 0.199419
+19
+0 1592	2.2555012	1.5737202	1.1724933	1.3222	76.75	-0.24622	0.04201	0.28823	1116.9123	0.155305	-422.534593	-422.525244	-422.5243	-422.568509	35.11
+C	-0.9790163228	 2.4123605876	 0.3105869389	-0.436826
+C	-1.2788874763	 1.4503397994	 1.4460877136	 0.388406
+O	-2.5796617771	 1.753641714	 1.9184748955	-0.465799
+C	-0.2929086134	 1.4756117589	 2.6211825728	-0.131893
+O	-0.6327193885	 0.3090544756	 3.3602914731	-0.266324
+C	-0.8176455051	-0.745631711	 2.4135516753	-0.106437
+C	-1.154063257	-0.0652260381	 1.0463427732	-0.27106
+C	-2.3157027177	-0.6130348567	 0.3716248472	 0.343549
+C	-3.2669400937	-1.0869591932	-0.1901256558	-0.459334
+H	 0.0297042927	 2.2575233586	-0.0829477702	 0.112402
+H	-1.6974973711	 2.2677885769	-0.5008157018	 0.141371
+H	-1.0666899453	 3.4445702657	 0.6608827921	 0.127987
+H	-2.7094397366	 1.2548184891	 2.7345406801	 0.286533
+H	 0.7532543977	 1.443797263	 2.2749703994	 0.086314
+H	-0.4346812545	 2.3448156737	 3.2671691136	 0.119043
+H	 0.0964696623	-1.3482911475	 2.3298701596	 0.105361
+H	-1.625831539	-1.3869372859	 2.7719838461	 0.124114
+H	-0.2852826444	-0.1601727871	 0.3845349078	 0.107012
+H	-4.1143574205	-1.4925920833	-0.6847614805	 0.19558
+19
+0 1593	2.9846806	1.5097501	1.1928747	1.8307	74.94	-0.23882	0.0837	0.32252000000000003	1069.9847	0.155818	-422.459342	-422.451189	-422.450244	-422.492117	31.369
+C	 2.5378145157	-0.8739321778	 0.879055596	-0.470004
+C	 2.9713538836	-1.2853466665	-0.5273262053	 0.316604
+C	 1.7452159473	-1.3312694617	-1.4142627807	-0.010381
+C	 0.8381876344	-2.4887444442	-1.4361135377	-0.174909
+O	 1.6766790529	-2.1919332112	-2.5535944036	-0.235468
+C	 4.3090416558	-0.6410649501	-1.0408825651	-0.005713
+C	 4.5351314372	-1.8182684479	-2.0150331403	-0.23384
+C	 4.0974673422	-2.3709904822	-0.6376708843	 0.002324
+O	 5.0379538389	-1.4130412846	-0.0066697184	-0.313891
+H	 1.8553786099	-1.6148962814	 1.3090531115	 0.114373
+H	 3.4067857808	-0.7741186388	 1.5288263475	 0.146928
+H	 2.0044534528	 0.0834976092	 0.8549870261	 0.113229
+H	 1.293092904	-0.3516406913	-1.5863131434	 0.096742
+H	 1.1054538045	-3.3878453696	-0.8822839553	 0.115911
+H	-0.2285494736	-2.3435020076	-1.5986468374	 0.117686
+H	 4.5642541193	 0.4148306417	-1.1470851994	 0.08978
+H	 3.8712285263	-1.9488475605	-2.8657181906	 0.135428
+H	 5.5858226391	-1.9979335826	-2.2434978252	 0.104063
+H	 4.1049165387	-3.3955947529	-0.2625593444	 0.091137
+19
+0 1594	3.1695257	1.4573447	1.1787048	1.8519	74.44	-0.24974	0.07282	0.32255999999999996	1079.462	0.156634	-422.474087	-422.466199	-422.465255	-422.50684	31.25
+O	-1.9180863897	 1.5221514309	 0.7507548562	-0.490093
+C	-0.6366115409	 1.016648625	 0.9746392344	 0.474134
+C	-0.1481273365	 0.3585495765	-0.2906754738	-0.082621
+C	-0.9890432129	-0.715342343	-0.9336101788	-0.255081
+C	 0.3439717154	-1.0703647194	-0.3358399532	-0.266045
+C	 0.2991442278	 1.9542957988	 1.8163144785	-0.027311
+C	 1.1061257752	 0.7424569672	 2.3152562198	-0.231856
+C	-0.3941713029	 0.3948228487	 2.4017601125	-0.037414
+O	-0.6359823271	 1.7563294678	 2.9624157918	-0.343174
+H	-2.1551861633	 1.9576928362	 1.5840934528	 0.283793
+H	 0.3311344192	 1.0497242619	-0.9786291108	 0.092415
+H	-1.8831391206	-1.0234175258	-0.4042348221	 0.12472
+H	-1.0915770235	-0.7040038696	-2.0125539165	 0.113025
+H	 0.3470335766	-1.6428032947	 0.5855617592	 0.11478
+H	 1.1705362468	-1.3014466915	-0.9990483841	 0.112925
+H	 0.6208136939	 2.9766971588	 1.6117692652	 0.094061
+H	 1.7337741608	 0.2026559448	 1.6072869457	 0.11523
+H	 1.5799312058	 0.895457177	 3.2845167884	 0.113072
+H	-0.8936373041	-0.4365052796	 2.9016376648	 0.09544
+19
+0 1595	3.6268266	1.3135105	1.1743339	1.6263	75.67	-0.25386	0.08215	0.33601	1087.9265	0.157825	-422.484601	-422.477036	-422.476092	-422.516489	30.453
+O	 4.365292972	-1.7941020744	-0.4915728965	-0.502964
+C	 3.3016008417	-0.88842596	-0.632011827	 0.47935
+C	 2.1951917675	-1.5567499709	-1.4310459365	-0.028047
+C	 1.8763539496	-2.9770592891	-1.2391125673	-0.185992
+O	 2.6621120812	-2.5514998811	-2.3632093412	-0.257164
+C	 3.6593359702	 0.6164067303	-0.9400154261	-0.118984
+C	 2.3318728867	 1.0094199644	-0.2291903139	-0.24237
+C	 2.9600796707	-0.0985238358	 0.6664023938	-0.093655
+C	 4.3178527713	 0.6493525766	 0.473244144	-0.234413
+H	 4.3881361499	-2.3001994574	-1.3167277018	 0.290171
+H	 1.4217656585	-0.9178048115	-1.8461584916	 0.103992
+H	 2.4220138422	-3.5427989182	-0.4881956855	 0.129454
+H	 0.8827248001	-3.3446556509	-1.4871420334	 0.121001
+H	 4.059876389	 1.0239923575	-1.8696013488	 0.072548
+H	 2.3211582843	 2.0080491336	 0.2123533649	 0.097401
+H	 1.3832357344	 0.8039092447	-0.7271954794	 0.091346
+H	 2.5561708856	-0.5151852495	 1.5906476084	 0.07069
+H	 4.3826791817	 1.6343828404	 0.9417532541	 0.087179
+H	 5.2261488136	 0.0666883414	 0.6080950138	 0.120459
+19
+0 1596	2.2142368	1.8924236	1.2971384	2.3288	74.67	-0.22891	0.07543	0.30434	1037.9194	0.156235	-422.478314	-422.470016	-422.469072	-422.511211	31.541
+C	 2.9995479763	-0.4129492188	 0.7280903645	-0.472284
+C	 3.1924972408	-0.9139624939	-0.6969308383	 0.293392
+C	 1.967895136	-1.638395903	-1.2041741402	 0.009877
+C	 1.9697243932	-3.0139307175	-1.7300008405	-0.187969
+O	 1.7831031881	-1.8899212977	-2.5953920945	-0.235583
+C	 4.0755392837	 0.0096669479	-1.5321654728	-0.184867
+C	 4.3871191912	-0.5916242954	-2.9024168247	-0.099395
+O	 4.7817818163	-1.8593799377	-2.2989591578	-0.291639
+C	 4.6122553569	-1.3030837474	-0.9966821624	 0.030846
+H	 2.7287513196	-1.2348398258	 1.4000238533	 0.124952
+H	 3.9145988864	 0.0462553529	 1.1140882964	 0.121258
+H	 2.2035545579	 0.3385117617	 0.7776272627	 0.125564
+H	 1.0513557567	-1.3011442477	-0.7138556586	 0.084721
+H	 2.9193165333	-3.5263395369	-1.8561802725	 0.134961
+H	 1.0927264292	-3.6452375961	-1.5932262929	 0.10912
+H	 4.2806801851	 1.0296484851	-1.2325977863	 0.095873
+H	 3.5733675551	-0.7101795677	-3.6171154696	 0.136714
+H	 5.2576718787	-0.1197460439	-3.3721616123	 0.104042
+H	 5.3529476055	-1.5504124879	-0.2421418435	 0.100417
+19
+0 1597	3.0096176	1.3284458	1.1560869	0.5138	75.27	-0.22444	0.06468	0.28912	1130.114	0.156349	-422.487419	-422.479103	-422.478158	-422.520555	32.118
+O	-0.7015890201	-1.4718670987	 1.2192504529	-0.468217
+C	-0.4833764923	-0.1142455056	 1.5116977827	 0.340212
+C	 0.588072615	 0.5695902009	 0.7162832253	-0.042363
+C	 1.6902454993	-0.2269124595	 0.058092615	-0.2867
+C	 0.632779278	 0.4416594406	-0.7846305515	-0.266233
+C	-1.8122665552	 0.5264531124	 1.874411722	-0.160561
+C	-1.6068726496	 1.9845736354	 2.2549888584	-0.109719
+O	-0.5491380203	 1.6321664013	 3.1953092617	-0.286079
+C	-0.776800571	 0.2427929057	 2.9466515883	 0.0096
+H	 0.0427306616	-1.9701051392	 1.5753170557	 0.287732
+H	 0.8868869142	 1.5220356091	 1.1390262096	 0.104793
+H	 2.6920520854	 0.1875551788	 0.069111797	 0.112532
+H	 1.6546337792	-1.3090384019	 0.1185846229	 0.100668
+H	 0.9050691674	 1.3124091951	-1.3706308287	 0.108706
+H	-0.1050737454	-0.2050652375	-1.2469245119	 0.122265
+H	-2.7488692738	 0.0343067172	 1.6522246142	 0.106649
+H	-1.2623384711	 2.6774333603	 1.4791000355	 0.110475
+H	-2.4578721724	 2.4204171543	 2.7898394428	 0.113538
+H	-0.7448879288	-0.4483391187	 3.782633368	 0.102703
+19
+0 1598	3.1488045	1.292357	1.1542081	1.496	75.29	-0.24029	0.07843	0.31872	1132.759	0.156809	-422.497337	-422.489199	-422.488255	-422.529874	31.73
+O	 4.6243932341	-0.9479597799	-1.09724163	-0.483876
+C	 3.2865947352	-0.5714562875	-0.9113743716	 0.411064
+C	 2.3304556969	-1.6395114586	-1.3507516644	-0.007359
+C	 2.6877460004	-3.0600955417	-1.2632976923	-0.187105
+O	 2.7663637557	-2.3627431527	-2.5168604806	-0.257747
+C	 3.042472566	 0.9117571691	-1.1040267217	-0.120051
+C	 1.5814787474	 1.3023159606	-0.8602733125	-0.248942
+C	 1.6608181932	 0.6581638969	 0.565891986	-0.246935
+C	 3.1248974699	 0.286154049	 0.3046167397	-0.099181
+H	 4.6699420473	-1.2977900745	-1.9977417588	 0.29126
+H	 1.2753507299	-1.3772006906	-1.3659943198	 0.100018
+H	 3.6457875339	-3.3364787886	-0.8306695119	 0.128156
+H	 1.9016674032	-3.8106098916	-1.2036402489	 0.116568
+H	 3.7883836622	 1.4989687047	-1.6253290022	 0.091302
+H	 1.4419481394	 2.3841885244	-0.8082437874	 0.108929
+H	 0.838703099	 0.8995058063	-1.5565785844	 0.099902
+H	 1.5580032683	 1.405243324	 1.3552915701	 0.110015
+H	 0.9746442797	-0.1658675982	 0.7861681742	 0.097939
+H	 3.9348443182	 0.330950419	 1.0226547765	 0.096042
+19
+0 1599	2.7812206	1.5837485	1.2768586	2.7495	74.95	-0.23874	-0.02968	0.20906	1037.256	0.157157	-422.543204	-422.535075	-422.534131	-422.575938	31.129
+C	-0.0659186308	-0.2242930491	 0.0916224012	-0.476186
+C	 1.4561762695	-0.1033101651	 0.0336203005	 0.211526
+C	 2.0716063865	-0.8429657955	 1.2088693409	 0.097956
+O	 1.4765132174	-1.1054070232	 2.2266431726	-0.266015
+C	 2.0088267949	 1.3622270344	-0.2719877175	-0.098589
+C	 1.7078436321	 1.0696862697	-1.776704021	-0.248509
+C	 2.1777221917	-0.3328911003	-1.3422009769	 0.057902
+O	 3.5675179285	-0.1251362506	-1.0266609386	-0.278034
+C	 3.5206377692	 1.118226271	-0.2807077426	-0.102362
+H	-0.401012336	 0.0016128788	 1.1065257638	 0.146312
+H	-0.5814156113	 0.4428908615	-0.5995302176	 0.114916
+H	-0.3808760569	-1.2500284663	-0.1273764141	 0.124357
+H	 3.1253903015	-1.1540894514	 1.0715251711	 0.10616
+H	 1.6284748823	 2.23407704	 0.2588520391	 0.084653
+H	 0.6571040503	 1.136290837	-2.0467215449	 0.114251
+H	 2.3282848205	 1.5771161832	-2.5191685014	 0.105241
+H	 2.0681583188	-1.2391879278	-1.9364657609	 0.087073
+H	 3.9677424505	 0.9818983756	 0.7092138871	 0.110721
+H	 4.0765323514	 1.8980018781	-0.8135281206	 0.108627
+19
+0 1600	2.3665181	1.8478174	1.3627149	1.5164	74.53	-0.24695	-0.03145	0.2155	1003.9378	0.156781	-422.550715	-422.542532	-422.541588	-422.583268	31.317
+C	-0.0293683606	-0.0399427598	 0.0379805878	-0.475
+C	 1.4152445242	 0.3114297248	 0.4068444845	 0.241307
+C	 1.9824731728	-0.7962720597	 1.2570409526	 0.082692
+O	 2.3265469153	-0.6967828773	 2.4087518935	-0.254783
+C	 1.6421839231	 1.8053013581	 0.778522831	 0.037919
+C	 3.1536686174	 1.9325986558	 1.0450318738	-0.226078
+C	 3.6439592034	 1.1377705594	-0.2103380293	-0.235875
+C	 2.2543870712	 0.8373044014	-0.8086371255	 0.03514
+O	 1.5744233688	 2.1161134831	-0.6549705937	-0.303285
+H	-0.6594752461	-0.0907264039	 0.9321163759	 0.129242
+H	-0.4334812489	 0.7202511623	-0.6326032827	 0.15082
+H	-0.0832161816	-1.0127963641	-0.4635819812	 0.119289
+H	 2.0394120078	-1.7796063823	 0.7304708537	 0.075944
+H	 0.9383497961	 2.3705070515	 1.3887006811	 0.084428
+H	 3.4586695713	 2.9801583968	 1.0180960866	 0.107553
+H	 3.4570651762	 1.4894953476	 1.9931152014	 0.131463
+H	 4.2427453571	 1.7445870174	-0.8918872513	 0.111444
+H	 4.2092992101	 0.2345659861	 0.0376757951	 0.106556
+H	 2.1763219625	 0.4053555228	-1.8070773033	 0.081226
+19
+0 1601	3.2364053	1.4325673	1.2648148	2.3416	76.2	-0.26103	-0.03569	0.22533999999999998	1047.2262	0.158341	-422.57061	-422.562963	-422.562019	-422.602398	30.684
+O	 0.9741728906	 2.4471283096	-0.0193365315	-0.498798
+C	 1.1783583729	 1.1782031305	-0.5484290451	 0.393003
+C	 1.7626394264	 0.2877912067	 0.5143440309	 0.082377
+O	 1.9816314657	 0.7090215147	 1.6295068139	-0.289136
+C	 1.8934209119	 1.0809846884	-1.9531476718	-0.091199
+C	 1.0757239909	-0.217517456	-2.1934650262	-0.250022
+C	-0.0066648044	 0.5299750433	-1.3675787983	-0.091272
+C	-0.3651571911	 1.7000228742	-2.3066478297	-0.211901
+C	 1.0764808447	 2.1179692591	-2.7511395853	-0.211915
+H	 1.2701821374	 2.3948953557	 0.9046667053	 0.291737
+H	 1.9873357192	-0.7610760282	 0.2535007468	 0.101914
+H	 2.9798811119	 1.1154001143	-2.0389692954	 0.069901
+H	 0.8226860777	-0.4476980528	-3.2312285298	 0.101133
+H	 1.4814169357	-1.1094319309	-1.7163319495	 0.102313
+H	-0.8247790409	 0.012052782	-0.866199499	 0.069918
+H	-0.9883762405	 1.3632728626	-3.1397415191	 0.095721
+H	-0.8849502437	 2.5019024105	-1.780918969	 0.120231
+H	 1.2403544145	 2.0090800249	-3.8268395079	 0.095722
+H	 1.318932011	 3.1409373512	-2.4607328094	 0.120273
+19
+0 1602	3.1299192	1.2722689	1.1796987	2.8401	76.81	-0.23885	-0.02112	0.21773	1125.7837	0.156448	-422.557489	-422.548784	-422.54784	-422.59095	31.919
+C	-0.3374985106	-0.3105307333	 0.1874312066	-0.502292
+C	 1.1510970594	-0.0614346175	 0.2665577493	 0.180877
+C	 1.8986762709	-0.7456072768	 1.3484560644	 0.086599
+O	 3.0621555667	-0.539627683	 1.6157142053	-0.281307
+C	 1.7994336214	 1.2522192395	-0.1957303103	-0.109505
+C	 0.9448561632	 2.2149094994	-1.0154062003	-0.279843
+C	 0.8977263163	 1.5428515778	-2.408227573	-0.071068
+O	 1.2749470199	 0.1659097602	-2.2236661323	-0.25577
+C	 1.9924290866	 0.0515589447	-1.0391297129	 0.076434
+H	-0.9114655703	 0.4038468064	 0.7877165138	 0.123302
+H	-0.6907186014	-0.2577218678	-0.8450768281	 0.140762
+H	-0.570643419	-1.3142985527	 0.5589262106	 0.123694
+H	 1.3139047966	-1.5130621366	 1.9040270055	 0.071439
+H	 2.601100066	 1.620128383	 0.4330439131	 0.11875
+H	-0.0558499062	 2.348575487	-0.5941433774	 0.114977
+H	 1.4129642322	 3.2009275794	-1.0639060928	 0.116942
+H	-0.0948677274	 1.5570565445	-2.8658838554	 0.115173
+H	 1.6056918705	 2.0164058026	-3.1016465293	 0.109139
+H	 2.9180010051	-0.5099558766	-1.1014553568	 0.121699
+19
+0 1603	3.1633579	1.2781357	1.1789579	1.2903	76.16	-0.24899	-0.02552	0.22347	1115.9973	0.156654	-422.561975	-422.553353	-422.552409	-422.595149	31.782
+C	-0.3139457944	 0.176279789	 0.298328849	-0.506093
+C	 1.1591686004	-0.1475807654	 0.1345674248	 0.206392
+C	 1.7283344243	-1.0232618657	 1.2009000676	 0.096329
+O	 2.8775334819	-1.3954972141	 1.2527213278	-0.275013
+C	 1.8296290632	-0.3624942618	-1.2272000922	-0.087541
+C	 1.1093496077	 0.1507714	-2.4581321876	-0.113789
+O	 0.7694441452	 1.5103442941	-2.1883085581	-0.254936
+C	 1.6626414838	 2.0345978958	-1.206405509	-0.113789
+C	 2.184454979	 0.8455901784	-0.4244789469	-0.087541
+H	-0.4947182987	 0.6884420033	 1.2502240157	 0.121435
+H	-0.678141024	 0.8168190928	-0.5046657732	 0.156747
+H	-0.9144246037	-0.740514919	 0.3007146377	 0.121436
+H	 0.9968541627	-1.3281708397	 1.9829912223	 0.074677
+H	 2.5137763657	-1.1982200237	-1.3108982287	 0.113765
+H	 1.7792951997	 0.0734672895	-3.3290327969	 0.104037
+H	 0.1786511062	-0.3754569185	-2.6964699111	 0.113044
+H	 2.5091497313	 2.5584555828	-1.6778589259	 0.104036
+H	 1.1002630342	 2.76241134	-0.6114778058	 0.113044
+H	 3.1340551655	 0.9136702121	 0.0923620904	 0.11376
+19
+0 1604	2.8180765	1.3104226	1.178106	3.0676	76.83	-0.23986	-0.03165	0.20821	1130.463	0.157259	-422.568757	-422.560386	-422.559442	-422.601606	31.964
+O	 2.3430955957	 1.6623134057	-1.5150149992	-0.47907
+C	 2.0908412151	 1.4634154931	-0.1598111282	 0.338308
+C	 1.8531037809	 0.0432374993	 0.160763578	 0.076201
+O	 1.8887344578	-0.8043488452	-0.7093626029	-0.300077
+C	 2.8322635156	 2.437508088	 0.7595486888	-0.103954
+C	 3.0487613342	 2.1491073057	 2.2399310941	-0.231482
+C	 1.643245035	 1.8768231593	 2.8399671835	-0.231849
+C	 0.6178260152	 2.4646515932	 1.8336676362	-0.231483
+C	 1.3610293641	 2.6284863415	 0.5136759125	-0.103943
+H	 2.293288751	 0.7739775546	-1.9039610445	 0.294388
+H	 1.6428961038	-0.2256829674	 1.2094385193	 0.093432
+H	 3.5679105547	 3.0261588298	 0.2226420913	 0.109801
+H	 3.7470149039	 1.3277122513	 2.4296939462	 0.108236
+H	 3.4898237646	 3.0447123443	 2.6919064591	 0.111833
+H	 1.4813542925	 0.8036613795	 2.9751421378	 0.113194
+H	 1.5355794791	 2.3239011829	 3.8314579333	 0.106594
+H	-0.2853755216	 1.8511223921	 1.7557777285	 0.108237
+H	 0.2925064982	 3.4597282566	 2.1575731237	 0.111834
+H	 1.0064768002	 3.3586815957	-0.2053964075	 0.109801
+19
+0 1605	2.9645823	1.17798	1.0892789	1.3626	76.6	-0.25036	0.04963	0.29999000000000003	1199.2618	0.155043	-422.528412	-422.519044	-422.5181	-422.562862	34.222
+C	 2.567833324	 2.1704233394	-1.2728200057	-0.436335
+C	 3.0514219574	 0.7418333798	-1.0591728038	 0.367357
+C	 2.5520726062	 0.145351297	 0.283742852	-0.392663
+C	 1.103022773	 0.0422923804	 0.382676184	 0.317775
+C	-0.0930622263	-0.0318924934	 0.4733846237	-0.444142
+C	 4.5808676774	 0.5758225924	-1.1685205247	-0.150651
+O	 4.7252389656	-0.726394675	-1.7112284676	-0.241196
+C	 3.6754421009	-0.8321311082	-2.6408410841	 0.019882
+O	 2.5832724744	-0.0864679974	-2.1354845447	-0.295028
+H	 2.9703299432	 2.8350205915	-0.5005701686	 0.114636
+H	 2.889934176	 2.5367287274	-2.251088573	 0.120014
+H	 1.4772801877	 2.2123181754	-1.2258800253	 0.145966
+H	 3.0050176934	-0.846721926	 0.3955194579	 0.138893
+H	 2.9328648162	 0.7641100706	 1.1071397852	 0.124209
+H	-1.1493589091	-0.1074024239	 0.5483245549	 0.194008
+H	 5.0063788263	 1.3366358635	-1.8412014162	 0.093034
+H	 5.1029735194	 0.6105935846	-0.209982421	 0.118152
+H	 3.9753406088	-0.4240262697	-3.6226079755	 0.087894
+H	 3.4034759054	-1.8881220282	-2.7429557476	 0.118195
+19
+0 1606	3.2491897	1.1499568	1.0647437	1.3564	76.94	-0.24568	0.05088	0.29656	1211.8696	0.154811	-422.53295	-422.5236	-422.522656	-422.567377	34.394
+C	 2.8816170066	-1.6645984625	 1.7814734029	-0.418769
+C	 3.0749869263	-1.1933182167	 0.3479228235	 0.442472
+C	 2.328584286	 0.129137655	 0.0328722273	-0.387707
+C	 0.8936352592	 0.0775288687	 0.2709424228	 0.319498
+C	-0.2911824333	 0.0377296658	 0.4686300786	-0.459484
+O	 4.4575212761	-0.9445275623	 0.076587804	-0.294698
+C	 4.9036546622	-1.8856191227	-0.8908538607	-0.097068
+C	 3.6079409733	-2.289779407	-1.5898720236	-0.10575
+O	 2.6654000296	-2.2296898613	-0.5303587513	-0.277528
+H	 3.4559774956	-2.5793435533	 1.9435100959	 0.119822
+H	 3.2285806988	-0.8977700596	 2.4789800507	 0.122639
+H	 1.8256403707	-1.8655436553	 1.9732740485	 0.142392
+H	 2.7868367408	 0.9221611587	 0.6351919779	 0.13824
+H	 2.5292912214	 0.3806966175	-1.0145022214	 0.127373
+H	-1.3383341932	 0.0000916606	 0.6393807811	 0.194853
+H	 5.6300034593	-1.3994558228	-1.5479749495	 0.112979
+H	 5.381271913	-2.7491279499	-0.4063727005	 0.102803
+H	 3.3517793535	-1.5887571161	-2.3981088285	 0.100634
+H	 3.613015274	-3.3060283968	-1.9904764676	 0.117299
+19
+0 1607	3.1989638	1.1347954	1.0356	0.8488	76.47	-0.24878	0.03581	0.28459	1219.4124	0.155965	-422.533485	-422.524352	-422.523408	-422.567672	34.172
+O	 2.8099476295	-0.7344838596	 2.4391575907	-0.480133
+C	 3.1299586532	-1.0148049759	 1.0898465408	 0.400283
+C	 2.4679047543	 0.0210136157	 0.1443043069	-0.399476
+C	 1.0281023227	 0.1079117661	 0.3582968896	 0.257341
+C	-0.1498833154	 0.1452310481	 0.6016001465	-0.420744
+C	 4.6702140984	-1.0170315002	 0.9184240471	-0.296322
+C	 4.971702986	-2.3571834981	 0.2121707477	-0.074657
+O	 3.7256528079	-2.8158273358	-0.3056493971	-0.244742
+C	 2.7621958081	-2.4584892039	 0.6667783567	-0.143159
+H	 1.8547032301	-0.5995280828	 2.4887370838	 0.282245
+H	 2.924939384	 1.0022030969	 0.3181286243	 0.135198
+H	 2.6845485541	-0.2618144077	-0.8926379347	 0.143751
+H	-1.1954809445	 0.1969465561	 0.781263542	 0.202304
+H	 5.0068085704	-0.1621948146	 0.3262994901	 0.105533
+H	 5.137662643	-0.9498503402	 1.9023033026	 0.123478
+H	 5.6699169158	-2.2707434313	-0.6237313963	 0.108796
+H	 5.3771011975	-3.090525138	 0.9261786397	 0.096162
+H	 1.7687979421	-2.5522653317	 0.2210218481	 0.112184
+H	 2.8220233225	-3.1045644532	 1.5576457016	 0.091959
+19
+0 1608	2.9689425	1.1803841	1.0327714	3.7229	75.45	-0.24131	-0.01647	0.22483999999999998	1211.2283	0.154678	-422.544497	-422.535597	-422.534653	-422.578247	33.27
+C	-2.9185266872	-0.0350110209	-1.3540034059	-0.452697
+C	-2.1172151582	 0.0033403106	-0.0513658675	 0.287216
+C	-0.9754968348	-1.0764818128	-0.0163441103	-0.38784
+C	 0.0159918704	 0.0510409368	-0.333224103	 0.405732
+O	 1.1390718417	 0.0762322908	-0.7442157323	-0.291926
+C	-1.0298768844	 1.1297643931	-0.0292621363	-0.397182
+C	-3.0456959172	-0.0402232084	 1.1400569235	 0.02271
+C	-3.5366501441	 1.1614181111	 1.8240224017	-0.185557
+O	-2.5107881659	 0.3487576234	 2.4060671544	-0.240684
+H	-3.5455014399	-0.9321544387	-1.4062104422	 0.121117
+H	-3.5720800575	 0.8393494145	-1.4413830645	 0.122069
+H	-2.2527801698	-0.0454345784	-2.223300543	 0.126417
+H	-0.806132911	-1.4770952276	 0.9890386953	 0.142591
+H	-1.0266197334	-1.9037865631	-0.7288056783	 0.124267
+H	-0.8813821315	 1.5243756802	 0.9817690979	 0.148352
+H	-1.1184836311	 1.9548984281	-0.7400720821	 0.121104
+H	-3.6721879164	-0.934189968	 1.186722164	 0.095099
+H	-3.2121211806	 2.1437662165	 1.483928749	 0.117629
+H	-4.4950113991	 1.1408425529	 2.3399758795	 0.121585
+19
+0 1609	2.6348184	1.3750406	1.1206321	4.1556	75.02	-0.27014	0.01305	0.28319	1153.8813	0.155986	-422.580543	-422.571842	-422.570898	-422.614014	32.817
+C	-2.8247376275	 0.028470397	-1.3299033096	-0.436803
+C	-2.0069386187	-0.0641580577	-0.0530178068	 0.381675
+C	-0.8917241797	-1.1396106519	-0.0404311672	-0.464323
+C	 0.0515127738	 0.0580427114	-0.0488044879	 0.445285
+O	 1.2226466863	 0.262562919	-0.0545263656	-0.319933
+O	-0.9570007983	 0.9877022633	-0.0506429969	-0.275892
+C	-2.856816248	 0.0245271463	 1.1922947654	-0.029104
+C	-3.2540456059	 1.3626402643	 1.7596557556	-0.269266
+C	-2.2916611622	 0.4767134081	 2.5134076247	-0.287148
+H	-3.5368412625	-0.8015057219	-1.3831115277	 0.12457
+H	-3.3890707713	 0.9647265589	-1.353882351	 0.137914
+H	-2.1796651825	-0.0116180476	-2.2120678325	 0.126249
+H	-0.8292468321	-1.7475694533	 0.863406919	 0.143217
+H	-0.8194144056	-1.7759943239	-0.9242363631	 0.137839
+H	-3.6087355798	-0.7596280374	 1.2338041408	 0.090402
+H	-2.8364345549	 2.2446172819	 1.2873683396	 0.133553
+H	-4.2625044262	 1.4824960194	 2.1386972123	 0.114413
+H	-1.2556533166	 0.7933039967	 2.5449184233	 0.133382
+H	-2.6390403583	-0.0228828227	 3.4106472776	 0.11397
+19
+0 1610	3.4515832	1.0425707	0.9970527	3.0235	75.83	-0.24028	-0.02053	0.21975	1262.7424	0.154711	-422.550617	-422.541664	-422.54072	-422.584756	33.981
+O	-2.7943594829	 0.0342784715	-1.2045854602	-0.477214
+C	-2.0438359983	-0.0365143309	-0.0079928411	 0.367483
+C	-0.8921851868	-1.1062614485	-0.0077476896	-0.413631
+C	 0.0957451224	 0.0378670183	 0.2657825275	 0.41482
+O	 1.2433812483	 0.076318183	 0.6025712485	-0.29121
+C	-0.9793593772	 1.1040835611	 0.0258330456	-0.383283
+C	-2.9148203442	-0.084382072	 1.2326355023	-0.01005
+C	-4.2488332917	-0.7875419001	 1.2394961714	-0.29595
+C	-4.1837820679	 0.7201343903	 1.3105301856	-0.267322
+H	-3.2500061079	-0.8058831406	-1.3235507023	 0.282583
+H	-0.9310377677	-1.9073935324	 0.7349198991	 0.125617
+H	-0.7385433902	-1.538691109	-1.0020952048	 0.130223
+H	-1.0854181316	 1.8771036685	 0.7905188794	 0.130029
+H	-0.8744726977	 1.5776673859	-0.9552858568	 0.142513
+H	-2.3395521743	-0.1635172734	 2.1519136191	 0.088365
+H	-4.6185912287	-1.223607238	 0.3169095225	 0.09859
+H	-4.5293721181	-1.3421829389	 2.1277160769	 0.117181
+H	-4.4737654229	 1.2632939604	 0.4184930061	 0.128027
+H	-4.4332202627	 1.2070720347	 2.2463123307	 0.113228
+19
+0 1611	2.3837718	1.2988247	0.9701145	1.0975	76.55	-0.24643	-0.09637	0.15006000000000003	1253.1783	0.154226	-422.564342	-422.55465	-422.553705	-422.599564	34.646
+C	 2.3846206635	 0.7250503615	 0.8652680369	-0.458608
+C	 2.0941136664	 1.7237283877	-0.2387049449	 0.359119
+C	 1.7406762438	 1.0997171443	-1.594113602	-0.377527
+C	 0.4038602431	 0.3961184531	-1.5294601712	 0.303542
+O	 0.2321525798	-0.7379213406	-1.1421213413	-0.280908
+C	-0.8439588573	 1.1854482177	-1.9583174591	 0.089002
+O	-0.8208140809	 2.3142425768	-2.3743644237	-0.216474
+C	 1.4329771009	 3.035834838	 0.1256066902	-0.304714
+C	 2.8911892976	 3.0066191409	-0.2632478765	-0.31465
+H	 3.2477113086	 0.0989598527	 0.6101828603	 0.118171
+H	 2.6098611201	 1.2399420842	 1.803938666	 0.113829
+H	 1.536365916	 0.0560781692	 1.04098384	 0.134093
+H	 1.6945936582	 1.8787941927	-2.3593226333	 0.125134
+H	 2.5003107469	 0.3621620983	-1.8737377125	 0.124202
+H	-1.7761767536	 0.5911572336	-1.8530770307	 0.110524
+H	 0.7303267065	 3.4680447109	-0.5778534019	 0.134461
+H	 1.1851289765	 3.2043512592	 1.1682139998	 0.112674
+H	 3.1710278926	 3.4229721792	-1.2250933606	 0.114314
+H	 3.6330121314	 3.1500070406	 0.5153988945	 0.113818
+19
+0 1612	3.0081797	0.9803027	0.8502402	3.3129	77.55	-0.24802	-0.03697	0.21105	1381.7391	0.153959	-422.568739	-422.559097	-422.558153	-422.604223	34.046
+C	 2.4377704754	 4.5554546907	-1.6416942045	-0.468477
+C	 3.0280610748	 3.3716494313	-0.8747971006	 0.246008
+C	 2.3737828842	 3.0841936956	 0.5006655108	-0.298938
+C	 1.5483859692	 1.9219747975	-0.1338808337	-0.056312
+C	 2.4903387356	 1.98125393	-1.3766261403	-0.302901
+C	 1.5368984882	 0.6248285883	 0.6267342345	 0.158534
+O	 0.5498328791	 0.0085381948	 0.9349447277	-0.250264
+C	 4.537109902	 3.439761586	-0.8809746227	 0.105088
+O	 5.2425650839	 3.3103678117	 0.0869133677	-0.24974
+H	 2.6564821503	 5.5019347013	-1.1358151907	 0.132271
+H	 2.8456107606	 4.610790268	-2.6575077319	 0.124764
+H	 1.3505267259	 4.4621546056	-1.7239582099	 0.130155
+H	 3.1202498204	 2.7324471055	 1.2182067728	 0.132289
+H	 1.797018272	 3.8924235974	 0.9539880338	 0.114772
+H	 0.5206855015	 2.2035381853	-0.3688993441	 0.094993
+H	 3.2564231271	 1.1994993745	-1.3506044395	 0.11833
+H	 2.0070163084	 1.9671409801	-2.355657266	 0.11958
+H	 2.5551289959	 0.2572046471	 0.9023389005	 0.073958
+H	 4.9793495054	 3.5961734792	-1.893686174	 0.075889
+19
+0 1613	2.6086238	1.3720611	1.0588532	0.9982	78.42	-0.2556	-0.05685	0.19874999999999998	1168.5786	0.15322	-422.571911	-422.561981	-422.561037	-422.606164	35.785
+C	 0.0611225884	 0.3579922092	-0.3089883766	-0.501121
+C	 1.013664663	 0.0924182433	 0.8416395761	 0.188254
+C	 2.3323366364	 0.8070661357	 0.9410278351	-0.343251
+C	 2.384651632	-0.6596874453	 0.6164664052	 0.188241
+C	 2.9054476552	-1.6687335892	 1.6226448212	-0.501124
+C	 2.6937045481	-1.0241861418	-0.8015497262	 0.109151
+O	 2.6684660377	-0.2727407668	-1.7472882616	-0.263471
+C	 0.3156298242	-0.2134099617	 2.1293958784	 0.10915
+O	 0.8080434203	-0.1607074544	 3.2314313747	-0.263477
+H	-0.5567543549	 1.234306283	-0.0829740986	 0.127283
+H	 0.596760391	 0.5539008428	-1.2366826329	 0.167198
+H	-0.6134688089	-0.4901731266	-0.4720261679	 0.121905
+H	 2.5788917472	 1.488003004	 0.1334276396	 0.140375
+H	 2.6491510644	 1.0966184626	 1.9372548453	 0.140367
+H	 2.6454596073	-1.3895652011	 2.6426400304	 0.167229
+H	 2.5062208621	-2.670250977	 1.4261278728	 0.121899
+H	 3.997576941	-1.7281603042	 1.5555433699	 0.127274
+H	 2.9768525575	-2.091844022	-0.9362953437	 0.082056
+H	-0.7525902423	-0.4975790007	 2.0014122891	 0.082063
+19
+0 1614	3.3406464	1.1092616	0.9519607	3.5989	77.42	-0.24737	-0.03083	0.21654	1283.4591	0.155215	-422.532731	-422.523563	-422.522619	-422.567709	33.409
+C	 1.4889115196	-0.3450703611	 2.6709513789	-0.491524
+C	 0.0525229508	-0.8343353068	 2.6447964899	 0.227952
+C	-0.2316463223	-2.2560569082	 3.1293079306	-0.272635
+C	-0.6406197557	-1.1028216582	 3.9785664591	-0.275075
+C	-0.8756575731	-0.3684280895	 1.5611660469	 0.309601
+O	-2.0418802339	-0.7033718176	 1.5272129687	-0.334538
+C	-0.3364391776	 0.5674805724	 0.5013564918	-0.040797
+C	-1.1832467973	 1.7093337854	 0.0885069084	-0.158457
+O	-1.0466340402	 0.5686967806	-0.7352324315	-0.205514
+H	 2.0051240459	-0.7457190393	 3.5482027812	 0.119644
+H	 2.0518042122	-0.6697369303	 1.7889502796	 0.128164
+H	 1.5501609612	 0.7472766543	 2.7296999733	 0.12401
+H	-1.013141276	-2.7909119837	 2.6031482941	 0.140952
+H	 0.6295195405	-2.8463126866	 3.4231001828	 0.116126
+H	-1.6970665822	-0.8664300672	 4.0212295409	 0.1389
+H	-0.069504598	-0.8813302642	 4.8735028798	 0.114743
+H	 0.7410329615	 0.663313375	 0.4007316337	 0.103243
+H	-2.1552359387	 1.8215295378	 0.5647664096	 0.135387
+H	-0.7050326667	 2.6202289272	-0.2694500379	 0.119819
+19
+0 1615	3.3799569	1.1041874	0.9507711	3.5157	77.46	-0.24622	-0.03021	0.21600999999999998	1290.0433	0.15509	-422.536934	-422.527741	-422.526797	-422.571964	33.561
+C	-2.0644323502	 1.8376400092	 1.4371623798	-0.487761
+C	-2.0161493612	 0.3308651132	 1.549820433	 0.298556
+C	-3.2671536048	-0.4375235967	 1.735835729	-0.196418
+O	-2.4031399486	-0.1894995751	 2.8316468422	-0.247429
+C	-0.8590249659	-0.4505530595	 0.9302340481	 0.3358
+O	-0.7856135463	-1.6505414817	 1.0987897358	-0.337339
+C	 0.1533658607	 0.2817579248	 0.1196594688	-0.132867
+C	 0.7706707177	-0.4739657809	-1.053015666	-0.24558
+C	 1.5830756425	-0.2498681876	 0.1711422788	-0.243444
+H	-1.1733052669	 2.2978514826	 1.8761653981	 0.134389
+H	-2.1369887959	 2.1603044512	 0.3935210754	 0.12796
+H	-2.9366864872	 2.2163843203	 1.9747889725	 0.132327
+H	-4.2132373045	 0.1036006745	 1.7444763578	 0.11087
+H	-3.2970261861	-1.4705371655	 1.3976080711	 0.134236
+H	 0.0326672824	 1.3503035518	 0.0065331991	 0.0928
+H	 0.3806496692	-1.4718669716	-1.2162716754	 0.140805
+H	 0.9896987952	 0.100827102	-1.9454069231	 0.118946
+H	 1.7374610846	-1.0962698222	 0.8299515753	 0.144185
+H	 2.3789610651	 0.4854685411	 0.1502604398	 0.119966
+19
+0 1616	3.0877311	1.177779	0.9845202	3.0668	78.3	-0.2406	-0.02255	0.21805000000000002	1251.2033	0.155776	-422.550537	-422.541597	-422.540653	-422.584662	33.662
+O	-1.0915183668	 2.6350099823	-3.2052731131	-0.475089
+C	-0.4506989245	 2.7958777365	-1.9860858192	 0.356835
+C	-1.0097390924	 3.8489070785	-1.045155212	-0.32216
+C	 0.2875622684	 4.103977742	-1.760505477	-0.322151
+C	 0.095875988	 1.5115452058	-1.4533814847	 0.338808
+O	-0.072970801	 0.500296438	-2.1216355383	-0.386432
+C	 0.8176832289	 1.4739175559	-0.1565921043	-0.119462
+C	 1.9501421476	 0.4621596488	-0.0267045433	-0.251927
+C	 0.6655052665	 0.209588866	 0.6809061976	-0.251914
+H	-1.0064009349	 1.6846148574	-3.391568138	 0.293624
+H	-1.8959182128	 4.3492372042	-1.4180464504	 0.137284
+H	-1.0021078282	 3.6646741489	 0.0230610773	 0.122269
+H	 0.2685629086	 4.7747695547	-2.6116015317	 0.137284
+H	 1.2151471709	 4.1005929949	-1.1995622895	 0.12227
+H	 0.9300121737	 2.4068227693	 0.3804168489	 0.093488
+H	 2.1551666602	-0.1245809357	-0.9143323179	 0.142727
+H	 2.8172598296	 0.7683034838	 0.5468125035	 0.120909
+H	 0.0082764775	-0.5466813994	 0.268246286	 0.142723
+H	 0.6214689108	 0.3366214179	 1.7562956559	 0.120915
+19
+0 1617	3.5765223	0.9156269	0.7934561	4.1546	77.26	-0.24539	-0.02757	0.21781999999999999	1453.3694	0.153594	-422.572721	-422.562824	-422.56188	-422.609049	34.882
+C	-2.2900908799	 0.2379975539	-0.1315705053	-0.485545
+C	-1.4102458545	 1.4512423632	-0.3620712476	 0.23731
+C	-2.0518484955	 2.7130922105	-0.9384646473	-0.273875
+C	-1.6503222207	 2.6930313532	 0.495322753	-0.272559
+C	 0.02202942	 1.2579125105	-0.7643004844	 0.318809
+O	 0.7623873902	 2.2005050888	-0.9655538893	-0.326378
+C	 0.5397096113	-0.1716208883	-0.9117951194	-0.413262
+C	 1.9993721877	-0.220870802	-1.3226066067	 0.177135
+O	 2.8182320009	-0.9177798577	-0.7826786196	-0.242278
+H	-3.2971938731	 0.5525738833	 0.1563478435	 0.121941
+H	-2.3886265072	-0.3768278498	-1.0329829524	 0.122353
+H	-1.907698209	-0.4013678812	 0.6712562536	 0.127043
+H	-1.4388363191	 3.2907627069	-1.6198579416	 0.139393
+H	-3.1044685653	 2.6462503768	-1.1904546553	 0.11778
+H	-0.7688001466	 3.2575958803	 0.7748129089	 0.140902
+H	-2.419452257	 2.6125613445	 1.255535017	 0.1184
+H	 0.4037223195	-0.7380109019	 0.0151808096	 0.148702
+H	-0.0566538229	-0.6853796132	-1.6806664948	 0.145051
+H	 2.2613895013	 0.4279773222	-2.1821690619	 0.099077
+19
+0 1618	1.6786034	1.5463565	1.0717726	2.7214	76.72	-0.24648	-0.05329	0.19319	1223.3437	0.153216	-422.557589	-422.547537	-422.546593	-422.593953	35.06
+C	-1.0532812109	 1.6439819128	 2.2072956928	-0.484909
+C	-0.2967264061	 2.1239745576	 0.9793561306	 0.350286
+C	-0.1592636134	 3.611916726	 0.7642566709	-0.308823
+C	 1.0403147312	 2.7945699193	 1.1837730495	-0.308841
+C	-0.4275862807	 1.2721063966	-0.3060710115	-0.226401
+C	 0.1300373021	-0.1200615171	-0.0625693506	 0.151476
+O	 1.235776111	-0.4608173164	-0.3928950566	-0.244102
+C	-1.8761313788	 1.2460977867	-0.7637220793	 0.151467
+O	-2.3120375559	 1.9555423191	-1.6323763049	-0.244108
+H	-0.7286827672	 0.6487187891	 2.5303230993	 0.125679
+H	-0.8792896112	 2.3280187825	 3.042785777	 0.127804
+H	-2.1351336519	 1.6072421027	 2.0384430299	 0.125694
+H	-0.19771965	 3.9881524163	-0.2517217172	 0.131695
+H	-0.6149985783	 4.2692673679	 1.4970135842	 0.117811
+H	 1.8213639298	 2.6124037118	 0.4543729211	 0.131698
+H	 1.4006674452	 2.8958700695	 2.2019172817	 0.117811
+H	 0.1673132362	 1.7415551392	-1.093502763	 0.117943
+H	-0.5484965388	-0.8234048476	 0.4717364761	 0.083911
+H	-2.5383541123	 0.531289564	-0.2241948397	 0.08391
+19
+0 1619	2.0749541	1.6744136	1.2507533	2.23	75.69	-0.2539	-0.03753	0.21637	1094.0777	0.154358	-422.532826	-422.523622	-422.522678	-422.566667	34.048
+C	 5.3902020966	-2.2084641586	 1.3461467263	-0.479612
+C	 4.8918898401	-0.81987384	 0.9838588449	 0.264471
+C	 5.6142331983	 0.3799618487	 1.5482896508	-0.312834
+C	 5.7370419684	 0.0463187349	 0.0813728746	-0.293064
+C	 3.3988372886	-0.7194196082	 0.8254763624	 0.22636
+C	 2.5220375091	-0.4213638772	 1.9831229362	-0.216711
+O	 2.7858787338	 0.5720706869	 1.0067073969	-0.262704
+C	 2.7367654582	-1.463008077	-0.301635077	 0.134498
+O	 3.2711610678	-2.2805335324	-1.0046588105	-0.253645
+H	 4.9619055815	-2.5471239523	 2.2971655783	 0.109807
+H	 5.1277844354	-2.9332590911	 0.5721924863	 0.15029
+H	 6.4787078852	-2.203206221	 1.456713908	 0.115555
+H	 5.025591885	 1.2505405449	 1.8116484621	 0.127486
+H	 6.4642699524	 0.1875102028	 2.1939389093	 0.109606
+H	 5.2292063842	 0.6980508952	-0.6212978037	 0.120964
+H	 6.6696540105	-0.3682774567	-0.2850381195	 0.115784
+H	 1.4968686091	-0.788695862	 2.0131424292	 0.124161
+H	 3.0034202252	-0.2745348676	 2.9482812063	 0.132246
+H	 1.6727036106	-1.1667034295	-0.440782301	 0.087341
+19
+0 1620	2.0803709	1.6701599	1.2570075	1.5429	75.8	-0.2539	-0.02214	0.23176000000000002	1089.385	0.154436	-422.540503	-422.531315	-422.530371	-422.574355	34.008
+C	 2.4749970008	-1.4487289852	 1.2282063964	-0.477976
+C	 2.3473496079	 0.0417842438	 1.4439528244	 0.33732
+C	 1.8937255634	 0.9119815667	 0.3512677852	-0.215212
+O	 1.0034942629	 0.5484698681	 1.414572009	-0.286379
+C	 3.2104210213	 0.6287047691	 2.5373363254	 0.177665
+C	 2.7076344714	 1.8383116599	 3.3196101475	-0.309285
+C	 2.7393316658	 0.5082103995	 3.9862066861	-0.306311
+C	 4.6779484357	 0.576930989	 2.3341194791	 0.114103
+O	 5.235346411	 0.1277235123	 1.3617718562	-0.275562
+H	 2.2465289661	-1.9912609105	 2.1518082334	 0.120253
+H	 1.778448888	-1.7806025555	 0.4546705396	 0.124461
+H	 3.4949368314	-1.6962970916	 0.9244136838	 0.153035
+H	 2.1948653856	 1.958110101	 0.3344161137	 0.113008
+H	 1.6585319001	 0.4787093354	-0.6192180289	 0.119197
+H	 3.4371487374	 2.5862819111	 3.6110600986	 0.121956
+H	 1.7455238128	 2.2177410144	 2.9991899726	 0.15159
+H	 3.4876583456	 0.3187727173	 4.7486380485	 0.124711
+H	 1.7981948825	-0.0102360372	 4.1299964394	 0.142623
+H	 5.2618249703	 1.0097343823	 3.1808889201	 0.070803
+19
+0 1621	2.5940888	1.4257713	1.0805351	2.5079	76.12	-0.25195	-0.026	0.22595	1149.8493	0.154764	-422.536799	-422.527703	-422.526759	-422.570522	34.47
+O	 2.2657376911	-2.368416189	 0.199702224	-0.456047
+C	 1.6811462266	-1.2067125185	 0.7351607268	 0.301859
+C	 0.3454769762	-1.3830814784	 1.4149910547	-0.335638
+C	 0.4292768847	-0.7868142609	 0.0221922264	-0.298594
+C	 2.6858068413	-0.1815427892	 1.2145724653	 0.196121
+C	 4.0187062886	-0.6537970153	 1.7940492919	-0.297104
+C	 3.9980855685	-0.0411284833	 0.4384819816	-0.277256
+C	 2.1881796319	 1.0957749237	 1.7984443763	 0.082924
+O	 2.9042623561	 1.958607974	 2.2520230321	-0.281483
+H	 2.4883591551	-2.9537455411	 0.9315605277	 0.286801
+H	-0.0291350622	-2.3976377466	 1.4968806394	 0.117273
+H	 0.083387014	-0.7376844866	 2.2466929181	 0.118667
+H	 0.1198078922	-1.4119901586	-0.8068128222	 0.128894
+H	 0.2275837767	 0.2711906597	-0.1049617698	 0.119347
+H	 4.4040032575	-0.0610221804	 2.6152018821	 0.139973
+H	 4.1757995448	-1.7233614069	 1.8683376032	 0.10476
+H	 4.3780215032	 0.9678889223	 0.3313819709	 0.135548
+H	 4.1067305115	-0.6965819922	-0.4166376988	 0.137738
+H	 1.0862033523	 1.2367147373	 1.7949180804	 0.076218
+19
+0 1622	3.1147456	1.4009766	1.237246	0.4878	75.16	-0.23935	0.07371	0.31306	1080.9287	0.155377	-422.473873	-422.465511	-422.464567	-422.50724	31.841
+C	 0.7571007108	 4.0324853417	 0.3698931049	-0.485461
+C	 1.5538183093	 2.7497825283	 0.3484478522	 0.227676
+C	 2.8803138754	 2.6685626062	 0.9782442831	-0.219636
+O	 2.7520553501	 2.7558993421	-0.4435287355	-0.274881
+C	 0.7538718577	 1.4962551241	 0.1897865386	 0.445183
+C	-0.2869631572	 1.1273249187	-0.9063370574	-0.265467
+C	-0.3525059692	 0.0901435982	 0.2355371295	 0.043205
+C	 1.191515503	 0.0107720796	 0.2556958202	-0.268424
+O	-0.2857031237	 1.2007051704	 1.2171532733	-0.35207
+H	 0.0213774724	 4.0045946698	 1.1788773895	 0.144955
+H	 1.4158484277	 4.8921852841	 0.5125316128	 0.125265
+H	 0.2177608937	 4.1649899607	-0.5735570425	 0.129601
+H	 3.2878128743	 3.5534179725	 1.465238813	 0.115366
+H	 3.2476738155	 1.7171278743	 1.3573777283	 0.114312
+H	-1.1476554425	 1.7932610706	-0.9746547466	 0.107403
+H	 0.0898406694	 0.8058149995	-1.8800548961	 0.103572
+H	-1.0864055849	-0.6936559534	 0.4184920758	 0.098022
+H	 1.6224042978	-0.3035341412	 1.2070369743	 0.105988
+H	 1.7013235304	-0.4121430364	-0.6123856372	 0.105393
+19
+0 1623	3.1616532	1.3868541	1.2461887	1.7173	75.45	-0.23946	0.07865	0.31811	1076.911	0.15591	-422.478747	-422.470555	-422.469611	-422.511523	32.175
+O	 1.4925313152	 3.8262869196	 1.5437170938	-0.465152
+C	 1.4932455481	 2.8510624654	 0.5376852627	 0.266306
+C	 1.3970133264	 3.3035143648	-0.9007489238	-0.325826
+C	 2.7136365931	 2.8207557456	-0.3284854951	-0.310178
+C	 0.8413651191	 1.5891658784	 0.9693522202	 0.397406
+C	 0.4446944501	 0.3027471154	 0.2006808103	-0.27328
+C	-0.2235500778	 0.2898134565	 1.5970558619	 0.040871
+C	 1.1056299486	 0.7363893612	 2.2411326827	-0.25439
+O	-0.5893988493	 1.7123439128	 1.4088000627	-0.36273
+H	 0.5753972378	 3.9232070103	 1.8294407379	 0.292782
+H	 0.8786535638	 2.673600663	-1.6148456662	 0.116317
+H	 1.2844599446	 4.3700264257	-1.0562439733	 0.121802
+H	 3.0995877796	 1.8593514859	-0.6488435132	 0.115731
+H	 3.4676300532	 3.5663479161	-0.1044420396	 0.129157
+H	-0.2383921059	 0.4535288903	-0.6359616942	 0.110008
+H	 1.2248124929	-0.4345722909	-0.0050650821	 0.097059
+H	-0.9944976032	-0.3754736243	 1.9840039212	 0.098181
+H	 1.0115282967	 1.2742508115	 3.1840216218	 0.110784
+H	 1.9501601368	 0.0430402528	 2.2223146524	 0.095152
+19
+0 1624	3.0979048	1.4185071	1.1959543	0.5387	75.2	-0.2353	0.06401	0.29931	1093.8403	0.155527	-422.493001	-422.48449	-422.483546	-422.526234	32.199
+C	 4.4288788209	-1.9712319194	 2.2155688865	-0.476043
+C	 4.7160209467	-1.2861966223	 0.8998687581	 0.295255
+C	 6.0557254777	-0.7447003263	 0.6093054992	-0.219223
+O	 4.9740999386	 0.1227934129	 0.9617790865	-0.274265
+C	 3.8390579178	-1.6775094265	-0.2413681338	 0.450566
+C	 3.5638733786	-0.8817278397	-1.473971397	-0.344565
+C	 2.4051765603	-1.3466481021	-0.6087217553	-0.193346
+C	 2.239158247	-2.8519683841	-0.7679047893	-0.094266
+O	 3.6498586251	-3.07996483	-0.4868252612	-0.334235
+H	 4.5043674467	-3.0553578026	 2.0968893667	 0.141936
+H	 5.1322615398	-1.6423421166	 2.9838905649	 0.123032
+H	 3.4135174477	-1.7371256317	 2.5522659364	 0.12498
+H	 6.8408853739	-0.8352499532	 1.3584767071	 0.115042
+H	 6.3944642643	-0.6710377139	-0.4224188786	 0.116698
+H	 3.7832028731	 0.1768693112	-1.3889482958	 0.134741
+H	 3.7373421154	-1.328960165	-2.4494816111	 0.110144
+H	 1.6999265371	-0.6663263944	-0.1518088939	 0.107826
+H	 1.6166577962	-3.3139485173	 0.0062920017	 0.110279
+H	 1.9480927131	-3.2332929689	-1.7539141111	 0.105444
+19
+0 1625	3.0694438	1.2909242	1.2285119	1.9119	74.36	-0.23669	0.07284	0.30953	1110.2904	0.155447	-422.49	-422.481458	-422.480514	-422.523347	32.162
+C	 5.0652864321	-0.6402249751	-1.4245435015	-0.472391
+C	 3.8808983655	 0.2864514798	-1.2572347159	 0.287537
+C	 4.0512959942	 1.7414778171	-1.4132058174	-0.2243
+O	 3.9390042844	 1.1519869908	-0.1131477712	-0.27658
+C	 2.5391143244	-0.323290553	-1.4821970886	 0.231238
+C	 1.7468346404	-1.0134142831	-0.384061827	-0.346654
+C	 1.1519726215	 0.146765873	-1.1191831	 0.046444
+O	 0.5941705989	-0.2731227253	-2.368990617	-0.286699
+C	 1.910080854	-0.6791137184	-2.8307802762	-0.13743
+H	 4.9787340334	-1.4943452254	-0.7451996374	 0.132004
+H	 5.1129543812	-1.0288050303	-2.447883308	 0.123002
+H	 5.999588302	-0.1170942233	-1.2069208805	 0.127757
+H	 5.0332655793	 2.1458151575	-1.6558481377	 0.112302
+H	 3.2052142179	 2.3532072413	-1.7215953413	 0.114141
+H	 1.3341700399	-2.0082462409	-0.5289768161	 0.112589
+H	 2.1032538405	-0.7863879177	 0.6156780894	 0.132219
+H	 0.7779004341	 1.0588458233	-0.6692265397	 0.113586
+H	 1.9372238647	-1.7277569036	-3.1498392067	 0.104961
+H	 2.2454412816	-0.0321767166	-3.6503171073	 0.106272
+19
+0 1626	3.0987095	1.2998113	1.2434681	2.7987	74.72	-0.25125	0.08165	0.3329	1114.2294	0.155134	-422.499668	-422.491046	-422.490102	-422.53306	32.39
+C	 4.6892026568	-4.1439465384	-4.0278885966	-0.478604
+C	 4.6819459245	-5.2834092433	-5.0216487184	 0.274292
+C	 5.928371676	-5.9709366467	-5.3973568019	-0.220744
+O	 5.3262314973	-5.0173731931	-6.2735737409	-0.265281
+C	 3.3984197326	-6.0304408252	-5.1361227295	 0.404659
+C	 2.7934977138	-7.088505155	-4.1902504842	-0.30378
+C	 2.0664106573	-7.7082113506	-5.4372366793	-0.238314
+C	 2.7062297393	-6.608802253	-6.2976709779	-0.04455
+O	 2.2880991201	-5.3523530735	-5.7438330052	-0.298149
+H	 4.4715816511	-4.5070212623	-3.0176713717	 0.123766
+H	 5.6620634477	-3.6469082317	-4.0203254875	 0.126933
+H	 3.9225555147	-3.4114017778	-4.2974240294	 0.146938
+H	 6.8669612446	-5.6611986357	-4.9392432149	 0.113276
+H	 5.8967028789	-7.0042787623	-5.7404600879	 0.108302
+H	 3.5373968343	-7.7636441554	-3.7604419243	 0.106875
+H	 2.1587532317	-6.6880893654	-3.3967513207	 0.110297
+H	 2.429225233	-8.7107419527	-5.6757728648	 0.106319
+H	 0.9743534602	-7.7071620011	-5.4243889841	 0.114105
+H	 2.9830006361	-6.6153320869	-7.3450665708	 0.113661
+19
+0 1627	3.1400238	1.3985482	1.2009025	1.4915	75.54	-0.23708	0.07268	0.30976000000000004	1094.0078	0.156137	-422.49752	-422.489217	-422.488273	-422.530271	32.448
+O	 5.5764480003	-1.7590877861	 0.5881842002	-0.46991
+C	 4.4085900785	-0.9829120392	 0.5884969498	 0.305769
+C	 4.0548969765	-0.3700148751	 1.9061040701	-0.319298
+C	 4.5619606224	 0.513195704	 0.7868224499	-0.316343
+C	 3.3805333097	-1.4917420644	-0.3441027713	 0.447117
+C	 1.9006225626	-1.3006314238	-0.357400962	-0.351383
+C	 2.4749994789	-2.7073045738	-0.3947922654	-0.190768
+C	 3.086903363	-2.9571086562	-1.7635138868	-0.091079
+O	 3.8584906259	-1.7235418646	-1.6898398312	-0.34297
+H	 5.8179728953	-1.8632688096	-0.3410181838	 0.287254
+H	 3.0132738923	-0.2990137723	 2.1971794431	 0.114008
+H	 4.7397894522	-0.5915491847	 2.716386462	 0.129048
+H	 3.8594000209	 1.1743582178	 0.2922531994	 0.117132
+H	 5.577545454	 0.8830055739	 0.8642949229	 0.120238
+H	 1.4416948921	-1.0331266133	 0.5889032066	 0.120865
+H	 1.4284931235	-0.8707433308	-1.2372490275	 0.114757
+H	 2.2609015106	-3.4511594172	 0.3598040985	 0.107905
+H	 3.7534166246	-3.8256276778	-1.7979921692	 0.112374
+H	 2.4156314167	-2.9690157566	-2.6302965252	 0.105284
+19
+0 1628	3.2101997	1.2974846	1.1473859	1.9506	74.87	-0.22929	0.06604	0.29533	1125.7087	0.155786	-422.491104	-422.482614	-422.48167	-422.524531	32.655
+O	 2.2485741893	 0.6518675395	-1.74773569	-0.456745
+C	 3.0927573632	-0.2575798689	-1.0794956873	 0.256245
+C	 2.7511096327	-1.7267285341	-1.2228539767	-0.320689
+C	 3.8920002468	-1.1201350292	-2.0104588518	-0.304816
+C	 3.6541123266	 0.2544856037	 0.199987612	 0.257391
+C	 5.0528588195	 0.0140030477	 0.7388265852	-0.357076
+C	 4.5742287156	 1.4152689115	 0.5186964466	 0.055661
+O	 3.7794539574	 1.8582917376	 1.6191276116	-0.284887
+C	 2.8051549129	 0.8177185508	 1.3462096999	-0.139937
+H	 1.4061727056	 0.6754399844	-1.2816758126	 0.281181
+H	 2.9929404598	-2.3922507383	-0.401506956	 0.115541
+H	 1.843574642	-1.9700430875	-1.7641366806	 0.114208
+H	 4.9053963844	-1.3958578675	-1.745480578	 0.115621
+H	 3.7261814273	-0.9404021277	-3.065961659	 0.127605
+H	 5.20154026	-0.3475294304	 1.7532033432	 0.111799
+H	 5.7682666418	-0.3502932798	 0.0089418188	 0.118442
+H	 5.0554247264	 2.1621506541	-0.1012333266	 0.112024
+H	 2.6218753091	 0.1727665001	 2.2140869169	 0.10369
+H	 1.8607605595	 1.2642299242	 1.0114006943	 0.094742
+19
+0 1629	3.2075074	1.3500386	1.1583888	1.4104	75.38	-0.24257	0.0718	0.31437000000000004	1119.7738	0.155628	-422.504012	-422.495502	-422.494558	-422.537058	32.834
+O	 4.7916953658	-6.7308795703	-4.5318066533	-0.454633
+C	 4.3459111392	-5.4509773642	-4.9033444008	 0.244475
+C	 4.3034217862	-4.3739359864	-3.8436621979	-0.327195
+C	 5.3878527276	-4.3756876824	-4.9010371832	-0.297981
+C	 3.3073496036	-5.4691509718	-5.9683157691	 0.413647
+C	 2.0615610006	-6.3751601028	-6.0630592374	-0.310208
+C	 2.1350740472	-6.2307613281	-7.6242814255	-0.236148
+C	 3.3705003089	-5.3424894485	-7.4378478657	-0.050972
+O	 2.9679573111	-4.2359735363	-6.6095990077	-0.294635
+H	 4.1329771687	-7.1129510106	-3.9418664158	 0.284478
+H	 3.5268461432	-3.6204309548	-3.9103914764	 0.127772
+H	 4.584266931	-4.6678439961	-2.8381461622	 0.112431
+H	 5.3375048765	-3.6232312992	-5.678269235	 0.130589
+H	 6.3820372529	-4.6822173395	-4.5985225092	 0.121393
+H	 2.2533197433	-7.3994343714	-5.7356274061	 0.10532
+H	 1.1672361118	-5.9879342609	-5.5690559602	 0.105836
+H	 2.3555809296	-7.1769124241	-8.1234303893	 0.109281
+H	 1.2873755405	-5.7461517586	-8.1139292958	 0.112051
+H	 4.2123874923	-5.1759617741	-8.0999038396	 0.104498
+19
+0 1630	3.4359634	1.1788344	0.9522082	2.5644	78.52	-0.22927	0.00602	0.23529	1251.1874	0.155995	-422.53715	-422.528321	-422.527377	-422.571273	32.138
+C	-2.4196488358	-1.4141482723	 0.7704777648	-0.479631
+C	-0.9551114865	-1.0692933201	 0.921697248	 0.312435
+C	-0.2445146081	-1.4994256511	 2.1465334442	-0.227282
+O	-0.0616924389	-2.2073834273	 0.9252109357	-0.270591
+C	-0.4474680604	 0.0933320976	 0.1568185046	 0.289001
+C	-1.143492301	 1.0429904423	-0.4665079625	-0.253008
+C	-0.2129642821	 2.0160206303	-1.1291259999	-0.099789
+O	 1.0970089557	 1.5504068009	-0.8211072097	-0.268415
+C	 1.0263531225	 0.3469318782	-0.0639075461	-0.157354
+H	-2.6507256526	-2.3245884236	 1.3278280592	 0.129062
+H	-3.0518533877	-0.6042943531	 1.1485623205	 0.126476
+H	-2.6697281492	-1.5789959738	-0.2818386531	 0.132601
+H	 0.6205427221	-0.9444790806	 2.5048599448	 0.116753
+H	-0.8055958585	-2.0268162766	 2.9177979974	 0.115435
+H	-2.2208532321	 1.1328895133	-0.5153934371	 0.100827
+H	-0.356238299	 2.050958087	-2.2217981428	 0.105172
+H	-0.3397465043	 3.045376268	-0.7570908148	 0.105099
+H	 1.5004474446	-0.4811102087	-0.6098667353	 0.121425
+H	 1.5834200213	 0.4743670996	 0.877136162	 0.101785
+19
+0 1631	3.4615846	1.1607464	0.9489766	1.451	79.19	-0.22298	0.01849	0.24147000000000002	1252.3411	0.156457	-422.540148	-422.531454	-422.530509	-422.573816	32.512
+O	-0.9715749641	-0.8255228826	 2.435808367	-0.45684
+C	-0.913721771	-1.068037155	 1.0552301788	 0.30807
+C	-0.6617671072	-2.5067235772	 0.6295877941	-0.330189
+C	-2.051062296	-1.9244859753	 0.5569848038	-0.296058
+C	-0.4006704673	 0.0563995814	 0.2465947984	 0.269172
+C	-0.09856933	 1.2803893834	 0.6787455311	-0.256427
+C	 0.401249153	 2.1236668151	-0.4560221011	-0.102101
+O	 0.3295553475	 1.2824384114	-1.606363509	-0.268209
+C	-0.1125514142	-0.0163044248	-1.2353686692	-0.162545
+H	-0.0651033235	-0.7195106656	 2.7474513126	 0.281705
+H	-0.1261012802	-2.6985107468	-0.2931950601	 0.119369
+H	-0.4558691665	-3.203826513	 1.4336637314	 0.121219
+H	-2.4771605873	-1.7054165906	-0.4149302144	 0.122267
+H	-2.7646266889	-2.2299078972	 1.3130549551	 0.132621
+H	-0.2070473261	 1.6419045949	 1.6922978019	 0.10328
+H	-0.2122707555	 3.0237562391	-0.619321494	 0.106231
+H	 1.4384888314	 2.4660874128	-0.3054395003	 0.101012
+H	-1.0016485161	-0.285417455	-1.8275509012	 0.105607
+H	 0.666862322	-0.7598159049	-1.4701097551	 0.101815
+19
+0 1632	3.5744903	1.2421189	1.1055374	1.8535	75.56	-0.2404	0.08143	0.32183	1148.3948	0.155908	-422.464388	-422.456288	-422.455344	-422.497366	31.188
+C	-0.5502063626	 2.7581394315	-0.1295164101	-0.456229
+C	-0.6984205653	 1.4044157503	-0.7866692859	 0.372386
+C	-1.605628816	 1.2709529957	-1.9415387886	-0.221236
+O	-2.0159663513	 0.8269475438	-0.6500370579	-0.27622
+C	 0.386842599	 0.3595433488	-0.6607401298	-0.004534
+C	 1.8746969122	 0.6644120438	-0.9988721477	 0.027532
+C	 2.2980298983	-0.5854205518	-0.1907128013	-0.22612
+C	 1.2591517157	 0.223707883	 0.6213601151	 0.021136
+O	 1.9884626832	 1.4617924454	 0.2461824273	-0.312733
+H	-0.3996678809	 2.6555131308	 0.9482968887	 0.128269
+H	 0.3095771871	 3.3016149555	-0.5258205319	 0.131824
+H	-1.4593829134	 3.3421059818	-0.2970156727	 0.112316
+H	-2.1189086836	 2.1542511387	-2.3202757145	 0.11121
+H	-1.4415490975	 0.4841424011	-2.6780273427	 0.103921
+H	 0.0100456048	-0.5881432461	-1.0560885804	 0.078402
+H	 2.3087462202	 1.0859897032	-1.90618436	 0.096898
+H	 2.0162056528	-1.5723113121	-0.5651664243	 0.099689
+H	 3.3127835269	-0.5451350791	 0.2050387616	 0.112338
+H	 0.9529792604	 0.1161092057	 1.6618818949	 0.101151
+19
+0 1633	3.4026228	1.2789919	1.1653409	1.193	75.02	-0.23601	0.07423	0.31024	1120.1846	0.156082	-422.467025	-422.458912	-422.457968	-422.499946	31.763
+O	-0.1509975242	 3.1298224616	-0.6713877928	-0.464023
+C	-0.1527103939	 1.8066464391	-1.1608561147	 0.37253
+C	-1.4933383634	 1.1628896601	-1.3898937304	-0.322506
+C	-0.6828357704	 1.6821298915	-2.5604863334	-0.300949
+C	 1.0847811569	 1.0515414345	-0.7496835067	-0.036228
+C	 1.2115672323	-0.491507385	-0.8797144122	 0.018625
+C	 2.3733827808	-0.4711924807	 0.1431154201	-0.221528
+C	 1.2101995306	 0.4040711773	 0.6653138833	 0.032373
+O	 0.2685335513	-0.6637041523	 0.2531246257	-0.309341
+H	-0.3867492305	 3.0941152435	 0.2622244099	 0.280325
+H	-1.5879696492	 0.0961873789	-1.239184861	 0.132866
+H	-2.3576914222	 1.7492525468	-1.0977037075	 0.109084
+H	-0.2159482158	 0.9644879303	-3.226661886	 0.108004
+H	-1.009532209	 2.6010087481	-3.0331554818	 0.121268
+H	 1.9702443013	 1.6142520057	-1.0644022375	 0.082257
+H	 1.068808166	-1.1306945608	-1.7520102978	 0.09564
+H	 2.51680423	-1.4066400181	 0.6838553086	 0.110753
+H	 3.3092603402	 0.0166909367	-0.1392185315	 0.099211
+H	 1.066658939	 0.8455643428	 1.6525510659	 0.091639
+19
+0 1634	3.7955019	1.132986	0.9985624	1.8821	74.93	-0.23303	0.08069	0.31372	1227.878	0.155652	-422.486994	-422.478583	-422.477639	-422.52008	31.786
+C	 0.9686656019	 0.6679458492	 3.3943628245	-0.456615
+C	 0.4221077402	-0.2664033979	 2.3371863187	 0.381729
+C	-0.3896107763	-1.4276358563	 2.7367671311	-0.220926
+O	 0.9789816867	-1.5922732862	 2.3489764537	-0.272131
+C	 0.23805503	 0.327693097	 0.9688329102	-0.142415
+C	 1.4729311172	 0.4118273804	 0.0811154536	-0.133427
+C	 1.087172799	 1.0652948711	-1.2402378918	-0.10211
+O	-0.0228042222	 0.1393482824	-1.4183695344	-0.297996
+C	 0.3633621266	-0.5600417109	-0.2323769284	 0.100568
+H	 1.0900296807	 0.1457056057	 4.3465057736	 0.126763
+H	 1.9424103671	 1.0650341256	 3.0902261002	 0.128013
+H	 0.2933126538	 1.5172281556	 3.5438941799	 0.123158
+H	-0.5959714629	-1.6032576148	 3.7917312637	 0.112972
+H	-1.1223689056	-1.8365706118	 2.0432496353	 0.115333
+H	-0.4870430846	 1.1392952	 0.9187077863	 0.093017
+H	 2.4735199068	 0.2286121738	 0.4478269797	 0.108734
+H	 0.7582816331	 2.1114863317	-1.2197618198	 0.103566
+H	 1.8304944157	 0.926228445	-2.0333817462	 0.111779
+H	 0.3184608027	-1.6414388797	-0.2234886198	 0.119988
+19
+0 1635	3.9979553	1.0354525	1.0048684	2.5559	75.88	-0.21829	0.06178	0.28007000000000004	1256.5613	0.155319	-422.485595	-422.476883	-422.475938	-422.519304	32.706
+O	 0.7401445684	-0.4861951956	 2.5450853386	-0.473495
+C	 0.2451808995	 0.7610101829	 2.120884529	 0.398764
+C	-0.9655963794	 1.3535925147	 2.7920763895	-0.331238
+C	 0.4103986277	 1.9706793869	 3.0044171749	-0.326035
+C	 0.4043836748	 0.9012565437	 0.6388430007	-0.079302
+C	 1.6425186217	 0.3002377127	-0.0078159573	-0.140051
+C	 1.6013140424	 0.5871047679	-1.5032521784	-0.102435
+O	 0.2500123234	 0.0544389535	-1.6102452224	-0.296992
+C	 0.2816569394	-0.3169122661	-0.2283562248	 0.093202
+H	 0.5796163011	-0.5795577632	 3.4884198805	 0.284008
+H	-1.6897225691	 1.889467174	 2.1877851171	 0.122185
+H	-1.4033220527	 0.8019146435	 3.6189883534	 0.10742
+H	 0.6269052764	 2.9294257511	 2.5454307071	 0.119154
+H	 0.8834502488	 1.8251432631	 3.9710314836	 0.107339
+H	 0.0116418007	 1.8334363505	 0.2374275813	 0.08555
+H	 2.4845433946	-0.0598838471	 0.5647531449	 0.110037
+H	 1.6638711247	 1.6331681449	-1.8283860635	 0.10059
+H	 2.298911808	-0.0235419929	-2.0881149517	 0.108173
+H	-0.1531514103	-1.2626021543	 0.0688025775	 0.113125
+19
+0 1636	3.4377711	1.1495279	1.0093102	4.0848	75.34	-0.27321	0.01062	0.28383	1224.8105	0.156262	-422.576715	-422.568026	-422.567082	-422.610257	32.561
+C	-3.9206816409	-1.1394597448	-1.2702056654	-0.467745
+C	-2.888932135	-0.0290365609	-1.207993269	 0.334449
+C	-2.3073127397	 0.4992140901	-2.4969536051	-0.310482
+C	-3.2728531198	 1.3448735108	-1.6983340955	-0.304345
+C	-2.00095428	-0.127897023	 0.0075340311	 0.058783
+C	-0.858351044	-1.1670121369	 0.0043954414	-0.429255
+C	 0.041082921	 0.0621445811	 0.1098867835	 0.447228
+O	 1.1998176115	 0.3098302839	 0.1906312489	-0.314543
+O	-1.0056316249	 0.9537438767	 0.0949616683	-0.252568
+H	-4.5759378256	-1.1242736378	-0.3910167308	 0.120694
+H	-4.552546069	-1.0326010001	-2.1563231514	 0.123997
+H	-3.4484374908	-2.1279425824	-1.3170853464	 0.120095
+H	-1.2703765675	 0.81486234	-2.5080979281	 0.129943
+H	-2.652745183	 0.0543009669	-3.4239172082	 0.111868
+H	-2.8609042555	 2.2016424095	-1.1780266024	 0.133896
+H	-4.279437623	 1.4824749691	-2.0783995463	 0.112176
+H	-2.5981666589	-0.1300677392	 0.925323369	 0.097215
+H	-0.7992649912	-1.8431715752	 0.8584203404	 0.142985
+H	-0.7352751036	-1.7270153479	-0.9244194642	 0.145609
+19
+0 1637	3.6768455	1.0470941	0.9215806	3.7285	75.76	-0.24145	-0.01572	0.22573	1291.1033	0.154676	-422.547527	-422.538598	-422.537654	-422.581415	33.266
+C	-3.9466525499	-1.2796356283	-1.256192781	-0.461499
+C	-3.0826229352	-0.0439414645	-1.1254379648	 0.395391
+C	-3.545811458	 1.2287151973	-1.6969269954	-0.229118
+O	-2.5434501736	 0.4504155867	-2.3624492695	-0.269694
+C	-2.1074348658	-0.0511074454	 0.0326690412	-0.063036
+C	-0.9510504879	-1.1069013991	-0.0346474492	-0.356832
+C	 0.0087778152	 0.0175480068	 0.3814490542	 0.398449
+O	 1.1163191434	 0.0366257172	 0.8323109542	-0.291282
+C	-1.0516679726	 1.0937838329	 0.1161824192	-0.369416
+H	-4.5790212788	-1.4048910789	-0.370638071	 0.123262
+H	-4.5890766912	-1.2096467517	-2.1370132436	 0.130128
+H	-3.3278063474	-2.1774242819	-1.3554452514	 0.131652
+H	-4.5098265642	 1.2724311478	-2.2018973268	 0.115599
+H	-3.2003026433	 2.1734001056	-1.2800155898	 0.115527
+H	-2.6629183291	-0.1489347444	 0.9704067911	 0.086391
+H	-0.9937216622	-1.9831120312	 0.6158808112	 0.127265
+H	-0.7501679105	-1.4310066564	-1.0620575024	 0.142952
+H	-1.1691053339	 1.8732964237	 0.8718352831	 0.123705
+H	-0.8891919949	 1.5514854239	-0.8659683391	 0.150557
+19
+0 1638	4.138556	0.93586	0.9329512	4.3188	76.29	-0.2332	-0.01002	0.22318	1322.6059	0.154355	-422.547402	-422.538108	-422.537164	-422.582222	34.186
+O	-2.0850823732	-0.068677087	-2.4112926683	-0.474495
+C	-2.9065436388	-0.0449862998	-1.2689961126	 0.423361
+C	-4.2100283755	 0.707186016	-1.3029655575	-0.333079
+C	-4.1998248649	-0.8153129588	-1.2640620186	-0.333053
+C	-2.0479609471	-0.0076441262	-0.032781866	-0.023751
+C	-0.9382398205	-1.1029354846	 0.0966320581	-0.359768
+C	 0.0460271575	 0.0189606563	 0.457270687	 0.398091
+O	 1.1336959104	 0.0390152252	 0.9560039488	-0.293957
+C	-0.9531182528	 1.1076498325	 0.0401902036	-0.359763
+H	-2.6375377981	-0.0920446193	-3.1977984288	 0.284956
+H	-4.5302966297	 1.247657747	-0.4183985594	 0.119287
+H	-4.492024276	 1.1840358982	-2.236859702	 0.110075
+H	-4.513134657	-1.3141401933	-0.3529372217	 0.119283
+H	-4.4750681248	-1.3429640325	-2.1722944783	 0.110083
+H	-2.6909365002	 0.0105671875	 0.8501138976	 0.077514
+H	-1.0688907648	-1.8967579185	 0.8357531366	 0.121258
+H	-0.6925031901	-1.547920583	-0.8724793994	 0.146356
+H	-1.0946854525	 1.9363317078	 0.7378782563	 0.121257
+H	-0.713059562	 1.5058531826	-0.9504569355	 0.146345
+19
+0 1639	3.5339806	0.9406839	0.839557	2.8482	78.21	-0.25718	-0.03814	0.21904	1406.7865	0.1543	-422.532881	-422.523565	-422.522621	-422.567312	33.843
+C	 2.9515555025	 0.147218131	 2.1029269661	-0.467719
+C	 1.772142716	-0.5145346261	 1.4172173076	 0.324521
+C	 1.9229568842	-1.9047293095	 0.8560302829	-0.305788
+C	 1.090618856	-1.6820127826	 2.0960651607	-0.298987
+C	 0.8874559981	 0.4529601462	 0.6861366258	-0.011263
+O	-0.0447988582	-0.055079773	-0.2519316003	-0.243277
+C	 1.051328821	 0.7185781067	-0.7660861033	-0.058839
+C	 0.680371016	 2.0565644455	-1.3072507649	 0.151923
+O	 1.3281713106	 2.6531617511	-2.1288821713	-0.250597
+H	 2.6214327291	 0.9125371727	 2.8153120185	 0.120721
+H	 3.5395215949	-0.5895610005	 2.6576158197	 0.122619
+H	 3.6163025806	 0.6301040195	 1.3777074734	 0.125822
+H	 1.3886952959	-2.1406067529	-0.0570417555	 0.131563
+H	 2.8890904327	-2.386269761	 0.9596999567	 0.112629
+H	 0.0146691066	-1.7716587052	 1.9941930156	 0.126247
+H	 1.4838694888	-2.0083916988	 3.0529324791	 0.113863
+H	 0.4941665531	 1.2686575049	 1.2985631788	 0.099743
+H	 1.8088651463	 0.1654776189	-1.3170527534	 0.119216
+H	-0.2591427543	 2.4658166931	-0.8721272561	 0.087602
+19
+0 1640	3.3511216	0.9733191	0.8671707	3.6051	77.43	-0.24867	-0.01771	0.23096	1374.976	0.154455	-422.538298	-422.529007	-422.528063	-422.572801	33.742
+C	 3.1372802216	 0.0563867387	-3.8632715208	-0.458467
+C	 4.1038230058	 0.1167816227	-2.7004087526	 0.393237
+C	 5.4806561044	 0.5897609884	-2.9094441809	-0.224274
+O	 5.1951510048	-0.808486486	-2.7648722276	-0.267266
+C	 3.459189896	 0.2421538441	-1.3454217954	-0.100386
+C	 3.0594196067	-0.9769195955	-0.5823491329	-0.300342
+C	 4.2407493301	-0.144736304	-0.0986675216	-0.114442
+C	 4.0691249438	 0.688293787	 1.1104940177	 0.166208
+O	 4.9402015906	 0.952233518	 1.901217209	-0.268588
+H	 2.4475789507	-0.7856234223	-3.7454268218	 0.13134
+H	 2.54133264	 0.9736557241	-3.919862774	 0.123803
+H	 3.6768342621	-0.0678548714	-4.8050147954	 0.130701
+H	 5.8010981683	 0.8948367243	-3.9043820855	 0.117117
+H	 6.0285768825	 1.0389146735	-2.0831996278	 0.123323
+H	 2.8053177404	 1.1059724826	-1.2478873188	 0.098418
+H	 2.1451886408	-0.9481565936	 0.0012029144	 0.123145
+H	 3.3124988782	-1.9451473957	-0.9985215512	 0.141161
+H	 5.228601365	-0.5633503038	-0.2496323338	 0.125335
+H	 3.0295895381	 1.0764152487	 1.2477471789	 0.059976
+19
+0 1641	3.376113	0.9818606	0.9015374	2.5368	78.23	-0.24581	-0.02023	0.22558	1344.7195	0.154896	-422.539797	-422.530552	-422.529608	-422.574199	34.116
+O	-0.9905149882	-0.066714551	 2.4918348592	-0.460504
+C	 0.4108156715	 0.0018133366	 2.4207841496	 0.380025
+C	 1.2008014563	-0.8698956523	 3.3680198162	-0.327645
+C	 1.0647301782	 0.6186430949	 3.621716922	-0.291931
+C	 0.963389859	 0.2877177398	 1.0558909105	-0.038497
+C	 0.2612109667	-0.1327803717	-0.185583779	-0.307922
+C	 0.2846714212	 1.3475767211	 0.1810884097	-0.114371
+C	 1.1648758999	 2.2419657636	-0.6004132378	 0.131717
+O	 2.1950215426	 1.890400679	-1.1310718994	-0.278297
+H	-1.2599569206	-0.9389615899	 2.1838994642	 0.286445
+H	 0.6324622807	-1.5351071677	 4.00890025	 0.116091
+H	 2.1593450037	-1.2583479761	 3.0413073501	 0.118862
+H	 0.4043407523	 0.9285954806	 4.422828781	 0.12614
+H	 1.9310455161	 1.2524307192	 3.467303416	 0.11979
+H	 2.0474161406	 0.3064333726	 0.9949203456	 0.109346
+H	 0.8685300484	-0.4164924605	-1.0374467681	 0.138514
+H	-0.7024348359	-0.6225749121	-0.1049009276	 0.108703
+H	-0.6333110633	 1.7724757416	 0.5693640987	 0.107491
+H	 0.8225441208	 3.2979878923	-0.671864331	 0.076043
+19
+0 1642	3.457279	1.2425078	1.0564799	1.684	74.18	-0.252	0.08403	0.33603	1167.6612	0.155639	-422.49597	-422.487599	-422.486655	-422.529	31.804
+C	-1.4510721442	-2.4126579059	 1.4057432239	-0.462884
+C	-0.5735868671	-2.2494559965	 0.1819604506	 0.384687
+C	-0.4120443161	-3.3855611284	-0.7365711936	-0.229567
+O	 0.6240946597	-3.0444330144	 0.1900205041	-0.268803
+C	-0.4283294675	-0.827537393	-0.3241852613	-0.089799
+C	 0.706349837	-0.5644853051	-1.3785869253	-0.290691
+C	 1.3391594313	 0.4238905159	-0.3922626917	 0.042924
+O	 0.3552880814	 1.4145740048	-0.0670013082	-0.251389
+C	 0.3058090265	 0.1586824203	 0.6166173665	 0.023926
+H	-1.4953876001	-3.4611818487	 1.7092842444	 0.128739
+H	-1.06363532	-1.8322660571	 2.2491788386	 0.128449
+H	-2.4687574053	-2.0640123357	 1.2000657205	 0.125378
+H	-0.931678635	-4.3202072259	-0.5295970186	 0.113665
+H	-0.17710652	-3.2110116986	-1.7854219284	 0.113738
+H	-1.4161932761	-0.451788998	-0.6112284789	 0.088405
+H	 1.3301989155	-1.4497295302	-1.5162652208	 0.12849
+H	 0.4059419956	-0.150478066	-2.343599732	 0.10448
+H	 2.3795607275	 0.7064522129	-0.2842860542	 0.104632
+H	 0.345719287	 0.1784413697	 1.6996045844	 0.10562
+19
+0 1643	3.496905	1.3083546	1.1374814	1.6565	74.75	-0.23653	0.07837	0.31489999999999996	1131.0665	0.155567	-422.491279	-422.482907	-422.481963	-422.524216	31.836
+C	-0.2392690397	-3.5728771711	-0.8424109142	-0.471211
+C	-0.5702601588	-2.189126954	-1.3576389697	 0.382491
+C	-1.5204108229	-2.0025014286	-2.4625924289	-0.221158
+O	-1.9034076285	-1.7375551269	-1.1069092215	-0.272421
+C	 0.5100939001	-1.1505079478	-1.1250769817	 0.045439
+O	 0.1926499968	 0.1265362694	-1.7386552823	-0.296855
+C	 0.0753176877	 0.7320849629	-0.4456800227	 0.115922
+C	 1.3901925163	 0.71237657	 0.2657952447	-0.31408
+C	 0.5058672205	-0.5196556867	 0.2708532239	-0.117105
+H	-0.0027170168	-3.5474722867	 0.2270656659	 0.12699
+H	-1.0909057674	-4.2417891728	-0.9848343209	 0.133003
+H	 0.6265687536	-3.990244264	-1.3673692637	 0.124254
+H	-1.4340175153	-1.1209383901	-3.0915851951	 0.131408
+H	-1.9866516479	-2.8766184396	-2.9159392334	 0.105655
+H	 1.4736414714	-1.539306833	-1.4829828716	 0.07996
+H	-0.7353309599	 1.4318342912	-0.28561982	 0.109191
+H	 2.3123801632	 0.7336569045	-0.3087343469	 0.114763
+H	 1.4214540926	 1.2474501792	 1.2101773985	 0.116802
+H	 0.120499835	-0.9811221758	 1.1693248695	 0.106952
+19
+0 1644	3.7009346	1.1253205	1.0811075	1.3362	74.8	-0.24944	0.06466	0.3141	1185.2415	0.155817	-422.498678	-422.490297	-422.489353	-422.531667	32.364
+O	 1.3058377796	-2.6081647828	 0.8132669649	-0.467544
+C	 0.116801827	-2.3322603724	 0.1101212703	 0.393265
+C	-0.3941905521	-3.4938597252	-0.6854682889	-0.299843
+C	-1.1313592416	-3.0517931628	 0.5648368697	-0.33033
+C	 0.0123133206	-0.9314638035	-0.4442935899	-0.062415
+C	 1.3143999302	-0.4108692051	-1.1628438755	-0.279219
+C	 1.4108357767	 0.6893063651	-0.0984692967	 0.038737
+O	 0.1896773663	 1.4377980848	-0.1422130736	-0.24895
+C	 0.2000263348	 0.2060427995	 0.5847934247	-0.006423
+H	 1.2786629886	-2.1262903444	 1.6471291188	 0.283163
+H	-0.8476283452	-3.3011253506	-1.6513445916	 0.115995
+H	 0.1824797963	-4.4091570358	-0.6231238137	 0.124681
+H	-2.090577474	-2.5570134552	 0.4548189691	 0.114326
+H	-1.0399534152	-3.6846587344	 1.4404135393	 0.114947
+H	-0.9113889749	-0.8274485002	-1.020294967	 0.079953
+H	 2.1214463928	-1.1416836976	-1.0887846537	 0.12617
+H	 1.2089115102	-0.0585248943	-2.1910802786	 0.10516
+H	 2.2868664319	 1.1992887088	 0.2853530943	 0.101858
+H	-0.1034704822	 0.2467097162	 1.6265030981	 0.096469
+19
+0 1645	3.8306535	1.1708685	1.1245922	1.1369	75.37	-0.23745	0.07422	0.31167	1162.6243	0.156229	-422.496605	-422.488415	-422.48747	-422.529271	32.058
+O	 0.9381801707	-2.6191479977	-0.9655302032	-0.471169
+C	 1.3152258922	-1.8037697337	-2.0368807995	 0.421106
+C	 2.5902901987	-2.1859882643	-2.7217178947	-0.312569
+C	 1.264768093	-2.3927250434	-3.4279845495	-0.330086
+C	 0.9832620677	-0.3506019386	-1.842469273	 0.055062
+O	-0.4246861282	-0.2154959114	-1.4377873616	-0.322978
+C	-0.0157225682	 0.3373981656	-0.1792050868	 0.10441
+C	 0.726563177	 1.6208922313	-0.3686344818	-0.310583
+C	 1.4454316635	 0.2958447749	-0.5349815999	-0.121963
+H	-0.0048280703	-2.4534148939	-0.8373036708	 0.28791
+H	 3.2508988845	-1.3996439297	-3.0715379995	 0.114449
+H	 3.0935484557	-3.0643259253	-2.3346636949	 0.127999
+H	 1.0150438485	-1.7494930138	-4.2649752159	 0.113751
+H	 0.8983665051	-3.4097958597	-3.5022909727	 0.120085
+H	 1.1911618223	 0.2162302414	-2.7585143618	 0.079896
+H	-0.5725359284	 0.0482216572	 0.7041583748	 0.103256
+H	 0.5087089742	 2.2476635248	-1.2295020574	 0.11509
+H	 0.9713665159	 2.1584055699	 0.5425961578	 0.116508
+H	 2.3064326261	-0.0051183636	 0.0448689903	 0.109825
+19
+0 1646	2.6851991	1.4190744	1.1010475	3.9235	74.47	-0.27314	0.00812	0.28126	1145.6692	0.156671	-422.572055	-422.563353	-422.562408	-422.60562	32.302
+C	-2.20855724	-2.9371082657	 1.2887455907	-0.46143
+C	-1.0226538607	-1.9938207393	 1.2085979129	 0.340077
+C	-0.4606560203	-1.4447034301	 2.501043756	-0.312935
+C	 0.3127545633	-2.4805507377	 1.7186556494	-0.303561
+C	-1.0373679393	-1.1077044697	-0.0204503239	-0.268626
+C	-2.0036244259	 0.097244204	-0.0685865565	-0.096282
+O	-0.8684670868	 1.0115742506	-0.2250864566	-0.241109
+C	 0.0335433799	-0.0164516591	-0.1510237385	 0.456586
+O	 1.2211065715	 0.0551708532	-0.180182558	-0.330837
+H	-2.1554390052	-3.5565544575	 2.1889551705	 0.120979
+H	-3.1583016973	-2.3893691725	 1.3202932275	 0.115934
+H	-2.2402958659	-3.6087214957	 0.4225329239	 0.118762
+H	-0.068891277	-0.4331848927	 2.5178794887	 0.129541
+H	-0.941419082	-1.7476165305	 3.4249143061	 0.110833
+H	 1.2060737265	-2.1471664859	 1.2033105752	 0.146219
+H	 0.3610568028	-3.4908148562	 2.1108831685	 0.109838
+H	-1.0799752845	-1.7191967848	-0.9286631102	 0.112778
+H	-2.6732242907	 0.1650989361	-0.9276958025	 0.125152
+H	-2.5373023383	 0.3083625234	 0.8603655465	 0.128082
+19
+0 1647	2.5838157	1.4560679	1.11297	0.9321	75.74	-0.24777	-0.0316	0.21616999999999997	1142.4074	0.155088	-422.538497	-422.529562	-422.528618	-422.572307	33.057
+C	 0.1851214786	-2.9298307535	-1.1872237438	-0.473047
+C	-0.9691475528	-1.9458197104	-1.1893565655	 0.338122
+C	-2.312301354	-2.3795608732	-1.7215369424	-0.307929
+C	-1.4705165731	-1.3961832248	-2.501815331	-0.305119
+C	-0.9580263202	-1.0311982752	 0.0178071284	-0.064161
+O	-2.0191510026	-0.0421629104	 0.047085485	-0.292441
+C	-1.1173482169	 1.0844333348	 0.0717868205	-0.192033
+C	 0.0692205707	 0.1155210687	 0.0162206235	 0.352332
+O	 1.2572890217	 0.2061938705	-0.0341303848	-0.277842
+H	 0.142781548	-3.588327224	-0.3112525638	 0.117353
+H	 0.157012816	-3.5617203681	-2.0796344992	 0.118079
+H	 1.148387749	-2.4093330741	-1.1683608536	 0.142555
+H	-2.4014250183	-3.3956568048	-2.0912763716	 0.111498
+H	-3.1991520589	-1.989904853	-1.2352493645	 0.129396
+H	-0.9818270652	-1.7338902468	-3.4091090678	 0.111394
+H	-1.820427994	-0.370419682	-2.5298055019	 0.118412
+H	-0.9418508981	-1.6230579184	 0.9458059692	 0.103928
+H	-1.2316380112	 1.7462702518	-0.7957637507	 0.135216
+H	-1.1947862289	 1.6735413028	 0.9943291641	 0.134286
+19
+0 1648	2.6279688	1.4314897	1.082144	3.2736	75.65	-0.23999	-0.02257	0.21742	1158.2725	0.154975	-422.546161	-422.537216	-422.536272	-422.580076	33.13
+C	 0.316436079	-2.9456421669	-1.0834805056	-0.468626
+C	-0.9357495752	-2.0963109888	-1.0988456487	 0.398036
+C	-2.1641108814	-2.596888148	-1.7325516044	-0.229746
+O	-1.3452832941	-1.6252146675	-2.39259684	-0.26935
+C	-1.0271479077	-1.0620361337	 0.0064476651	-0.180615
+C	-2.120574142	 0.0491868705	-0.0501504567	-0.25842
+C	-1.0462476906	 1.1471193824	 0.2131005797	-0.340387
+C	 0.0282375937	 0.0725322295	 0.0024642239	 0.405157
+O	 1.2114343008	 0.0979061226	-0.1759086099	-0.297204
+H	 0.357938537	-3.5528483457	-0.1723783332	 0.11742
+H	 0.3343066617	-3.6128765474	-1.9486076041	 0.124089
+H	 1.2048492932	-2.3089811887	-1.1044099938	 0.159512
+H	-2.1675431294	-3.5873791691	-2.1860937424	 0.115376
+H	-3.1369965462	-2.2374003042	-1.3998187696	 0.110376
+H	-1.0026107978	-1.5705235351	 0.9790464768	 0.105551
+H	-2.546490573	 0.1284838512	-1.0513556521	 0.13518
+H	-2.9200823276	-0.0270172132	 0.6869910458	 0.105492
+H	-1.0057298005	 1.9974660669	-0.4720090144	 0.135909
+H	-1.0397576499	 1.5281552353	 1.2396950136	 0.13225
+19
+0 1649	2.8893277	1.2781114	1.1022831	2.3054	76.14	-0.24161	-0.02372	0.21789	1173.0522	0.155556	-422.550151	-422.541336	-422.540392	-422.583946	33.298
+O	-0.8972886299	-1.4553032257	-2.5157453741	-0.47577
+C	-0.9922407169	-2.0519044	-1.2475612834	 0.417545
+C	-1.8378381515	-3.289404919	-1.2037718173	-0.305641
+C	-0.3324614071	-3.3962961201	-1.0589587784	-0.320531
+C	-1.0293303634	-1.0557694147	-0.1171410064	-0.163217
+C	-2.1464345289	 0.0419544521	-0.0651480441	-0.253957
+C	-1.0750755199	 1.1324792401	 0.2446140985	-0.334253
+C	-0.0284934935	 0.1138667125	-0.2197430097	 0.386105
+O	 1.0598097806	 0.2038457459	-0.7170585765	-0.314932
+H	-0.013681886	-1.0697860947	-2.5779133865	 0.294439
+H	-2.4589900776	-3.4630581869	-0.3319906061	 0.111701
+H	-2.271095611	-3.6053639425	-2.1454496466	 0.127181
+H	 0.0827134525	-3.6472735015	-0.0888608349	 0.11234
+H	 0.2194854026	-3.7849692506	-1.9069024122	 0.120515
+H	-0.9310186541	-1.556470816	 0.8525349165	 0.097477
+H	-2.5952006277	 0.1826589874	-1.0498155379	 0.133163
+H	-2.9283723155	-0.1001371932	 0.6807862916	 0.107906
+H	-1.1070267609	 2.0779784532	-0.3009459368	 0.130013
+H	-0.9837309819	 1.3430735937	 1.3153674744	 0.129916
+19
+0 1650	3.4798763	1.1796163	1.1289404	3.2111	76.76	-0.23656	0.00848	0.24503999999999998	1165.9876	0.155924	-422.537722	-422.529076	-422.528132	-422.571329	32.015
+C	-1.3375435099	 2.5194874649	 1.9164733053	-0.469497
+C	-0.9328242283	 3.0084804327	 0.546363366	 0.412177
+C	-1.7079938047	 4.0516533127	-0.1431482484	-0.233777
+O	-0.4706118607	 4.3664414228	 0.4936816625	-0.276253
+C	-0.1294022967	 2.0408291675	-0.317363455	 0.028959
+O	 0.9622612841	 1.4910671516	 0.4258211629	-0.278273
+C	 0.9445461664	 0.0668868252	 0.365842436	-0.116355
+C	-0.3004899549	-0.2769804697	-0.4014459958	-0.100012
+C	-0.9058828995	 0.8377165044	-0.7922373901	-0.094914
+H	-1.9451970826	 1.6119041695	 1.8419218626	 0.120395
+H	-0.4462756222	 2.2836170618	 2.50342113	 0.142753
+H	-1.9113927544	 3.2865460228	 2.4412388203	 0.122334
+H	-1.7014762871	 4.1113155423	-1.2319194608	 0.106268
+H	-2.6014028564	 4.4540308529	 0.3330511263	 0.110651
+H	 0.2665607078	 2.6284603201	-1.1617759219	 0.088576
+H	 1.8548560605	-0.3006668941	-0.1345673278	 0.108407
+H	 0.9453432229	-0.3478554587	 1.3851428062	 0.108947
+H	-0.6140806542	-1.2940930861	-0.5994581488	 0.110333
+H	-1.8156322502	 0.9194057572	-1.3730026695	 0.109279
+19
+0 1651	3.5840446	1.1905139	1.1296887	1.574	77.28	-0.23776	0.01434	0.2521	1163.6461	0.156562	-422.543302	-422.534858	-422.533913	-422.576489	32.218
+O	-1.4566775203	 2.5091869188	 1.6604120105	-0.476925
+C	-0.8729165593	 3.0497030118	 0.5112869806	 0.438588
+C	-1.6506571037	 4.1351821787	-0.1612272044	-0.316233
+C	-0.3655170289	 4.4703979768	 0.572159304	-0.327632
+C	-0.1230891842	 2.0249954094	-0.3176646706	 0.011539
+O	 0.8513168504	 1.3957075965	 0.5339574352	-0.29318
+C	 0.7979469498	-0.0229180881	 0.3790522936	-0.123359
+C	-0.4323731671	-0.2772677138	-0.4462070496	-0.104008
+C	-0.952611692	 0.8785218247	-0.8372040135	-0.071329
+H	-0.7404620823	 2.0471576273	 2.1148297856	 0.283227
+H	-1.658463239	 4.1806204662	-1.2454492733	 0.110165
+H	-2.5846639843	 4.4161696729	 0.3113347123	 0.12609
+H	 0.5089245677	 4.741141738	-0.010055135	 0.111659
+H	-0.4582408623	 4.9743709299	 1.5269392264	 0.117918
+H	 0.387737588	 2.5491358691	-1.1438652037	 0.07811
+H	 1.7121615739	-0.3873295051	-0.1181188167	 0.106
+H	 0.7596426368	-0.4944480607	 1.3714236817	 0.108727
+H	-0.7960768349	-1.2703587716	-0.6769895061	 0.108378
+H	-1.8312882484	 1.0283838392	-1.4504185671	 0.112265
+19
+0 1652	2.863284	1.2311651	1.0919552	3.9827	77.47	-0.2335	-0.01334	0.22016000000000002	1189.8313	0.154737	-422.533902	-422.524666	-422.523722	-422.568107	33.421
+C	-0.0681488589	-0.164729575	-0.0504336535	-0.465351
+C	 1.4378945855	-0.0577861689	 0.0355856592	 0.132094
+C	 2.2637240655	 0.2134464008	-1.2421626083	-0.407759
+C	 2.1239748707	 1.2769308222	-0.2286490492	 0.424975
+C	 1.4896257284	 2.6622185274	-0.2874122159	-0.357756
+C	 2.6930410631	 3.069483721	 0.5914192958	-0.074439
+O	 3.233187353	 1.7258228626	 0.5463269517	-0.301511
+C	 2.0957235332	-0.9404260563	 1.0317282779	 0.125052
+O	 1.4952378452	-1.685559197	 1.7696826929	-0.274473
+H	-0.5280801276	 0.0407192251	 0.9205321071	 0.135282
+H	-0.4762808064	 0.5363627022	-0.7840650219	 0.10961
+H	-0.3651089827	-1.1762257371	-0.3432529665	 0.13502
+H	 3.2318028936	-0.2732106334	-1.3158849368	 0.133149
+H	 1.7137055424	 0.2880047076	-2.1747690819	 0.126702
+H	 1.4627407106	 3.1162684716	-1.2796597552	 0.121347
+H	 0.508886865	 2.7529223486	 0.1816403433	 0.125305
+H	 3.3855460816	 3.7944249718	 0.1518335279	 0.114298
+H	 2.4494739026	 3.3720251653	 1.6154815487	 0.115506
+H	 3.2041401153	-0.8720530588	 1.0587085345	 0.082947
+19
+0 1653	2.4405018	1.4583844	1.1196205	3.1426	76.56	-0.24608	-0.03078	0.2153	1141.4651	0.154797	-422.529694	-422.520475	-422.519531	-422.56373	33.208
+C	-0.1590007025	-0.015539083	 0.0249307544	-0.490113
+C	 1.3508290531	 0.0813093468	 0.1018565922	 0.169925
+C	 2.1102256025	 0.9839001808	-0.8732453325	-0.37906
+C	 2.2041117352	-0.4826212469	-1.0332119576	 0.266478
+C	 1.7481542331	-1.3761673088	-2.1826903861	-0.140444
+O	 2.9217200836	-2.1979665941	-2.0329972418	-0.2768
+C	 3.4255748794	-1.3909902886	-0.9398753714	-0.132008
+C	 1.9517771748	-0.032679888	 1.4572732448	 0.098791
+O	 3.1342674658	 0.0618594708	 1.6950023511	-0.275335
+H	-0.6368915444	 0.7880811787	 0.5958976874	 0.129496
+H	-0.5086117359	 0.0638089659	-1.0078875594	 0.127548
+H	-0.521061106	-0.9699646031	 0.4234415521	 0.129411
+H	 1.5099642626	 1.549713186	-1.5792353722	 0.119573
+H	 2.9740428447	 1.5003875951	-0.4669022621	 0.140261
+H	 0.8220977267	-1.9437168282	-2.0199170178	 0.102531
+H	 1.7023316849	-0.892649465	-3.1678491042	 0.104758
+H	 3.5374912685	-1.9683054957	-0.0165739701	 0.1161
+H	 4.3833099249	-0.916931118	-1.1852325005	 0.110981
+H	 1.221778959	-0.2300702949	 2.274922504	 0.077907
+19
+0 1654	2.8810593	1.207381	1.0630771	2.7472	77.14	-0.25352	-0.03622	0.21730000000000002	1212.489	0.154226	-422.542486	-422.533207	-422.532263	-422.576821	33.667
+C	-0.0999206286	-0.2243278701	-0.0181980179	-0.472041
+C	 1.3868734101	-0.0095732166	 0.0886267265	 0.150245
+O	 2.1801110854	-0.2135071828	-1.1059447373	-0.311299
+C	 2.0830002561	 1.1000107515	-0.6135145485	 0.414861
+C	 1.4476012847	 2.2790063743	-1.3598617158	-0.310654
+C	 2.4564453605	 3.2131059917	-0.6256734994	-0.214693
+C	 3.272116264	 1.9656318535	-0.1722862784	-0.318519
+C	 2.0583976987	-0.5542199621	 1.3122459775	 0.125759
+O	 1.4725729444	-0.8904460595	 2.310569028	-0.254407
+H	-0.6017588516	 0.1970390018	 0.8570865939	 0.141869
+H	-0.4980089232	 0.2387658782	-0.9225465575	 0.12807
+H	-0.3274761721	-1.2940833383	-0.0449129969	 0.139534
+H	 1.6361917686	 2.2091959616	-2.4350701289	 0.122174
+H	 0.382734534	 2.4629395997	-1.2011460893	 0.112895
+H	 2.9845387895	 3.9386913867	-1.2455159886	 0.110878
+H	 1.998590321	 3.7380014916	 0.2152693374	 0.114226
+H	 4.1433899494	 1.7777092607	-0.8066367866	 0.121553
+H	 3.5834113772	 1.9203892045	 0.8731823317	 0.114407
+H	 3.163037692	-0.6309972363	 1.2166975402	 0.085143
+19
+0 1655	3.1218656	1.1492185	1.0431966	2.6471	78.71	-0.24022	-0.03034	0.20987999999999998	1221.2386	0.155261	-422.541401	-422.532419	-422.531475	-422.575398	33.383
+O	 1.8410900111	 2.4616050305	-0.7837497872	-0.472866
+C	 2.4029937562	 1.1937961648	-0.802545945	 0.30027
+C	 3.7557243619	 1.0078593341	-1.484286231	-0.415711
+C	 2.5222853461	 0.499155002	-2.1515386504	 0.284733
+C	 2.2014396207	-0.94856832	-2.5615383636	-0.304512
+C	 1.8514222774	-0.4136902089	-3.9828580449	-0.208987
+C	 1.9085664791	 1.048126252	-3.4445225958	-0.275986
+C	 2.1090648761	 0.3927972598	 0.3961103415	 0.094518
+O	 1.4105700806	 0.8197110528	 1.2917752633	-0.298348
+H	 1.3478007039	 2.4973091943	 0.0517160771	 0.295637
+H	 4.2013660159	 1.9246680525	-1.8566216642	 0.137244
+H	 4.452929109	 0.2955307403	-1.0512159559	 0.119511
+H	 3.028397017	-1.6610524977	-2.4986106648	 0.104259
+H	 1.3383614315	-1.3708374571	-2.0389865395	 0.10948
+H	 2.6362203811	-0.6232281428	-4.7129735329	 0.108907
+H	 0.8957608988	-0.7385613352	-4.3985116164	 0.105733
+H	 2.5170418861	 1.7583268833	-4.0091892962	 0.107146
+H	 0.9239902428	 1.4925186632	-3.2777606033	 0.119382
+H	 2.5580555946	-0.6198563979	 0.4344084791	 0.089591
+19
+0 1656	2.5111839	1.1940459	1.0243339	2.9914	77.68	-0.24957	-0.02886	0.22071	1258.0171	0.154518	-422.53181	-422.522431	-422.521487	-422.566211	33.808
+C	 0.9190472102	-1.9662597445	 1.4465803823	-0.484256
+C	 2.3512978349	-1.9662059768	 0.9494011574	 0.232168
+C	 2.6661889192	-2.4273614541	-0.4611039763	-0.331655
+C	 3.0178753961	-3.3331327697	 0.6757317637	-0.062906
+C	 4.4357922328	-3.6216004384	 1.0312845722	 0.073826
+C	 4.94673132	-4.9990509394	 1.0246060211	-0.187574
+O	 4.6384760954	-4.3440261013	 2.2543955997	-0.241872
+C	 3.2162683638	-0.8859180066	 1.4999459603	 0.099954
+O	 4.3014544451	-0.5690534492	 1.0697211662	-0.272562
+H	 0.8765303659	-2.0513787847	 2.5380344837	 0.132251
+H	 0.3972173865	-1.0463433113	 1.15984049	 0.12712
+H	 0.3596364465	-2.8067545294	 1.0268240367	 0.124838
+H	 1.829259617	-2.6911988807	-1.098146026	 0.11972
+H	 3.4812648596	-1.9050292283	-0.951035884	 0.140881
+H	 2.3504399757	-4.170656048	 0.8614200872	 0.097478
+H	 5.1389758679	-2.8086767114	 0.8679909161	 0.127614
+H	 4.2819563401	-5.8181538766	 0.7507898921	 0.109617
+H	 6.0044382085	-5.1811122395	 0.8385950743	 0.117066
+H	 2.7824814648	-0.35960912	 2.3798371333	 0.078291
+19
+0 1657	2.9665196	1.0147463	0.8986517	2.6272	77.87	-0.25465	-0.03552	0.21913	1371.1759	0.154118	-422.534121	-422.524629	-422.523685	-422.569009	34.109
+C	-0.3274016622	-0.146844811	-0.1251232598	-0.468237
+C	 1.1728421439	-0.0014193873	-0.1822896684	 0.252676
+O	 1.6964395948	 1.3235860195	-0.4120504137	-0.288489
+C	 1.9080654584	 0.7527177191	 0.8724014715	 0.027036
+C	 3.306305998	 0.5056599219	 1.3268372583	-0.023379
+C	 3.9186498211	 1.4498734021	 2.3367186473	-0.266736
+C	 3.5364711576	 0.0563901519	 2.7521304726	-0.266359
+C	 1.9083241005	-1.0610631692	-0.9462217599	 0.119438
+O	 1.4290593528	-2.1267221573	-1.2417840108	-0.253302
+H	-0.5936311502	-1.1194874288	 0.2964272263	 0.144087
+H	-0.7681526812	 0.6453238364	 0.483983928	 0.124894
+H	-0.7550775896	-0.0938159438	-1.130736793	 0.13834
+H	 1.2639988228	 1.1723647272	 1.6510958985	 0.093286
+H	 3.977941863	 0.1067603774	 0.5758000812	 0.095241
+H	 4.9697616247	 1.6908435583	 2.2285232603	 0.121856
+H	 3.3072625044	 2.2727644713	 2.6922041106	 0.120227
+H	 4.3206831161	-0.6695334125	 2.9323222746	 0.123207
+H	 2.667206854	-0.0631112098	 3.3905484771	 0.118792
+H	 2.9383931811	-0.7739402354	-1.2457662607	 0.087422
+19
+0 1658	3.3767238	0.9452274	0.9009769	2.4153	79.85	-0.24159	-0.02893	0.21266	1373.105	0.155076	-422.538856	-422.529695	-422.528751	-422.573316	33.91
+O	 1.482538717	 1.5722435485	-1.895534593	-0.468819
+C	 2.078159101	 0.391993028	-1.4803633452	 0.347423
+C	 2.1647594397	-0.7477215165	-2.4752531816	-0.359808
+C	 3.4246674826	-0.0196564182	-2.1054386803	-0.095586
+C	 4.0873942539	 0.9293956842	-3.0481869438	 0.030304
+C	 5.380471437	 0.5401273795	-3.7255415299	-0.276636
+C	 5.3779504152	 1.6057713165	-2.6582521606	-0.268909
+C	 1.8954480806	 0.1033959368	-0.0482584357	 0.097048
+O	 1.3308991213	 0.8795509445	 0.692535011	-0.295754
+H	 1.1768483372	 1.9946217058	-1.0767938638	 0.296876
+H	 2.0122539489	-1.7634194806	-2.1249132846	 0.120564
+H	 1.7208463632	-0.5227492397	-3.4390359095	 0.138807
+H	 4.1055192424	-0.5518533722	-1.444094409	 0.089197
+H	 3.3940953807	 1.5265156124	-3.6301460294	 0.104303
+H	 5.812560125	-0.4239566974	-3.4779921303	 0.110983
+H	 5.5272748306	 0.8388187016	-4.7576067428	 0.11521
+H	 5.8097402566	 1.3571518843	-1.6940370277	 0.111107
+H	 5.5236343817	 2.6383671634	-2.954522691	 0.11717
+H	 2.3232872854	-0.8533129709	 0.3160543273	 0.08652
+19
+0 1659	2.1166514	1.676157	1.1228094	4.325	76.63	-0.24334	-0.01362	0.22972	1132.8811	0.154285	-422.526465	-422.517095	-422.516151	-422.56097	33.682
+C	 4.2758179879	 0.0583007929	-1.2188278354	-0.456103
+C	 3.3983601497	-0.9839460831	-0.5450291468	 0.299257
+C	 3.9303732216	-1.6402656601	 0.7029783712	-0.332772
+C	 2.8216390475	-0.629327617	 0.8250245814	-0.148644
+C	 1.4794447334	-1.0849738064	 1.3176208488	 0.147879
+O	 1.2726374019	-2.1302315637	 1.8782077045	-0.247641
+C	 2.6010007456	-1.7835062329	-1.5363167503	 0.006044
+C	 1.3604773467	-1.2718259619	-2.1370476813	-0.179977
+O	 1.3350415136	-2.309535458	-1.1527632127	-0.217893
+H	 4.8875150751	 0.5919917595	-0.4858097978	 0.122034
+H	 4.9566533831	-0.4142372641	-1.9365325039	 0.124792
+H	 3.6762823764	 0.7948595618	-1.7645975846	 0.12209
+H	 3.6281648294	-2.6612795748	 0.9113922824	 0.145627
+H	 4.9276053427	-1.3757055858	 1.0373933921	 0.112878
+H	 3.0603906491	 0.3804731633	 1.1539872207	 0.097825
+H	 0.6649243241	-0.3381093548	 1.1822288036	 0.067461
+H	 3.1986324148	-2.4732774199	-2.1366761702	 0.102339
+H	 0.9635865439	-0.3126813189	-1.8077536213	 0.114436
+H	 1.0749461536	-1.5763537362	-3.1422377203	 0.120368
+19
+0 1660	3.4126181	1.0115916	0.9003607	2.8433	77.95	-0.25616	-0.03859	0.21756999999999999	1338.7953	0.15424	-422.534585	-422.525234	-422.52429	-422.568973	33.98
+C	-0.5939756871	-1.9428344893	 1.5747727264	-0.464316
+C	-0.2386372121	-0.4718707275	 1.5082428043	 0.365018
+O	-1.3008954323	 0.445444788	 1.7520986213	-0.277056
+C	-0.2427965534	 0.3970123804	 2.7219638111	-0.103807
+C	-0.6122356111	-0.1112137598	 4.0748975737	 0.140188
+O	 0.0421629762	 0.1122480237	 5.0622905373	-0.250417
+C	 0.6817827155	-0.1007005151	 0.377792254	-0.055171
+C	 0.0950383942	 0.2109500136	-0.9801303917	-0.265056
+C	 0.7304651783	 1.3033498834	-0.1583300759	-0.273989
+H	-1.3272645867	-2.1523057292	 2.354827511	 0.129031
+H	-1.0118073079	-2.2619134584	 0.6148410836	 0.136087
+H	 0.301055553	-2.5435386208	 1.7659870306	 0.132151
+H	 0.4313013572	 1.2519552328	 2.7294311598	 0.114229
+H	-1.5499723325	-0.706399432	 4.1078344573	 0.090652
+H	 1.6141302303	-0.6585538276	 0.3828280997	 0.093623
+H	 0.6132755476	-0.1545353847	-1.8592875564	 0.115421
+H	-0.9862440162	 0.2251909257	-1.0638791309	 0.126449
+H	 1.6919112202	 1.6967823398	-0.4676736185	 0.114497
+H	 0.0603502568	 2.0277313272	 0.2900720533	 0.132465
+19
+0 1661	3.4596363	0.9443088	0.9077041	3.0008	78.63	-0.24045	-0.01826	0.22219	1361.0507	0.155031	-422.536801	-422.527634	-422.52669	-422.571044	34.108
+O	-2.2994531676	 0.1145039226	 1.3504840835	-0.457927
+C	-0.9709526149	-0.2598336751	 1.5875743607	 0.375362
+C	-0.6048258972	-0.3159011959	 3.0225018667	-0.336022
+C	-0.7180883512	-1.6315368953	 2.242519682	-0.174531
+C	-1.8539197114	-2.5307832932	 2.5355315864	 0.148299
+O	-1.8115250609	-3.7342310101	 2.4343316844	-0.273781
+C	 0.028929271	 0.2216933121	 0.5757482788	-0.025195
+C	-0.1180675368	 1.5864372095	-0.047952365	-0.264959
+C	-0.3290964369	 0.3490502178	-0.8848953412	-0.288289
+H	-2.6128163238	-0.3580737463	 0.5708663682	 0.291699
+H	 0.3867780371	-0.0045737878	 3.3294334121	 0.129176
+H	-1.3969368228	-0.1088362573	 3.7343066273	 0.135004
+H	 0.1988043592	-2.1440971999	 1.9716197847	 0.105381
+H	-2.7815234186	-2.0117552155	 2.8623981736	 0.079546
+H	 1.0421226281	-0.1066010775	 0.787656544	 0.089552
+H	-1.0007519945	 2.1550378438	 0.2205363315	 0.129657
+H	 0.776662083	 2.1773280903	-0.2070091812	 0.11513
+H	-1.344497386	 0.1265158132	-1.196225088	 0.102127
+H	 0.4220959642	 0.0749744846	-1.6166927385	 0.119773
+19
+0 1662	2.8507363	0.9439206	0.8075009	3.9152	78.43	-0.24721	-0.03762	0.20959	1447.93	0.153547	-422.566692	-422.556763	-422.555819	-422.60217	34.842
+C	-2.3347630185	 4.0832667794	 1.3621368952	-0.485188
+C	-1.0237147706	 3.3278608763	 1.4663275486	 0.217882
+C	-0.1246692266	 3.2044106072	 0.2456358576	-0.312184
+C	-0.8910703695	 2.0006689664	 0.691837895	-0.047393
+C	-0.2017108927	 0.770495578	 1.2505077426	-0.320445
+C	 0.3705370858	-0.0857379049	 0.1392919912	 0.166331
+O	 0.1767429249	-1.2666480912	 0.0111623363	-0.239493
+C	-0.3372206256	 3.432556282	 2.7824163333	 0.100632
+O	 0.7909856034	 3.0636036971	 3.0186864409	-0.270564
+H	-3.0546442823	 3.7411294624	 2.1140936458	 0.129218
+H	-2.1863221304	 5.159378437	 1.5053497587	 0.129733
+H	-2.7908504231	 3.9418455233	 0.378686621	 0.12675
+H	-0.4350355264	 3.7271188224	-0.6525312774	 0.122716
+H	 0.9403892236	 3.2246091859	 0.4523897752	 0.141065
+H	-1.7864121519	 1.7767804523	 0.1163327045	 0.105772
+H	 0.6320006003	 1.0817067493	 1.8920157143	 0.159193
+H	-0.8837871111	 0.1552712305	 1.8447166114	 0.120065
+H	 1.0120929764	 0.4729261063	-0.5811634294	 0.07574
+H	-0.9568488657	 3.8942394705	 3.5837793052	 0.080171
+19
+0 1663	2.9428094	1.2468097	1.0521983	1.992	76.71	-0.23227	-0.0287	0.20357	1205.4998	0.153903	-422.534748	-422.525552	-422.524608	-422.569161	33.89
+C	-0.1298437	-0.0045132548	 0.2727064931	-0.458668
+C	 1.3819876286	 0.1028728948	 0.1683935797	 0.32994
+C	 2.0303397511	 0.0940134264	-1.2313352985	-0.418551
+C	 2.5329808694	 1.4776139496	-0.8417197411	 0.45934
+C	 3.882844691	 2.0930340531	-0.9927615131	-0.329333
+C	 2.6558766628	 2.7303452429	-1.6380884806	-0.334413
+O	 1.8535643053	 1.4610593947	 0.4241134247	-0.348257
+C	 2.0623797239	-0.8022317815	 1.1867674439	 0.125408
+O	 2.6789046615	-1.8008092104	 0.9225707481	-0.248082
+H	-0.4637590692	 0.2013163072	 1.295234056	 0.130784
+H	-0.6005049839	 0.723526132	-0.3936146595	 0.133837
+H	-0.46333552	-1.0096120515	-0.0062186155	 0.134194
+H	 2.7861485373	-0.6803011389	-1.3680939094	 0.134964
+H	 1.318622811	 0.0748872793	-2.0591927577	 0.110506
+H	 4.2993910128	 2.5891375378	-0.122773491	 0.12662
+H	 4.6105841434	 1.599126919	-1.6285134536	 0.119313
+H	 2.2749716726	 3.640690745	-1.1876476392	 0.126383
+H	 2.5432479355	 2.6734876368	-2.7161352869	 0.116751
+H	 1.953177867	-0.4342828415	 2.2321353606	 0.089266
+19
+0 1664	4.0677123	0.9880851	0.9225606	2.133	76.79	-0.25377	-0.02575	0.22802	1297.2135	0.154389	-422.537285	-422.528225	-422.527281	-422.57127	33.461
+C	-0.0160683773	 0.1485757804	 0.0276210908	-0.454217
+C	 1.4259993986	 0.3639924499	 0.469857505	 0.224109
+C	 1.7019938123	 1.7822344098	 1.0954892786	-0.369915
+C	 2.2931145811	 2.2033181964	-0.2482852657	 0.484225
+C	 2.0098856532	 3.3966913293	-1.0463070122	-0.268149
+O	 3.2881044671	 3.187052897	-0.4237675466	-0.2708
+C	 2.4069659062	 0.7488652954	-0.7001325344	-0.369906
+C	 1.9371580844	-0.7701431351	 1.3231464318	 0.121952
+O	 1.3052940758	-1.7458953349	 1.6364559865	-0.25422
+H	-0.6777788155	 0.0586670371	 0.8936241024	 0.131807
+H	-0.3630340956	 0.9836787036	-0.5884627801	 0.112389
+H	-0.109729282	-0.7729833136	-0.5536405805	 0.131786
+H	 0.8314705006	 2.3217926402	 1.4752258601	 0.117088
+H	 2.4724148452	 1.7513294888	 1.8734562844	 0.118792
+H	 2.0064309877	 3.3345139705	-2.1338898254	 0.119343
+H	 1.4132513099	 4.2039663267	-0.6231653543	 0.119342
+H	 2.0818941809	 0.4887331723	-1.7099714756	 0.117094
+H	 3.4193259934	 0.3632471164	-0.5384565928	 0.118797
+H	 2.993064864	-0.6375955901	 1.6614457879	 0.070484
+19
+0 1665	3.5747086	1.0831676	0.9717408	2.4161	77.05	-0.26262	-0.0339	0.22872000000000003	1256.4877	0.155261	-422.544605	-422.535854	-422.53491	-422.578032	33.386
+O	 1.0567920202	 1.2375741466	-1.3473167255	-0.487262
+C	 2.0772257971	 0.3092339359	-1.1793931324	 0.348322
+C	 1.967342554	-1.030640688	-1.9917375249	-0.371808
+C	 3.4414214821	-0.8722122677	-2.3757923317	 0.394366
+C	 4.5306176125	-1.867624694	-2.0880275469	-0.32126
+C	 4.1848730362	-1.4956949827	-3.513751242	-0.333602
+C	 3.4313732125	 0.5910143624	-1.9237133256	-0.371797
+C	 2.3045908115	 0.042300969	 0.2867059293	 0.117249
+O	 1.6559572916	 0.5920566373	 1.145671719	-0.284815
+H	 0.758480396	 1.4688333949	-0.4524376023	 0.289787
+H	 1.6676627038	-1.9323735695	-1.4489133325	 0.104135
+H	 1.2846635831	-0.8723312323	-2.8312441026	 0.124199
+H	 5.4671685409	-1.5011830988	-1.6788383459	 0.1143
+H	 4.2456039767	-2.8542259719	-1.7355669965	 0.1143
+H	 4.8875326101	-0.8785067701	-4.0646966095	 0.116097
+H	 3.6666563927	-2.2308103444	-4.1214099322	 0.116097
+H	 4.2741248293	 0.9546954212	-1.3278168397	 0.104143
+H	 3.2388986345	 1.2922783536	-2.7404543778	 0.124211
+H	 3.1017729351	-0.6876559515	 0.5331648097	 0.103337
+19
+0 1666	2.4097069	1.6996068	1.317685	2.9385	74.07	-0.24318	0.0829	0.32608000000000004	1038.8154	0.15546	-422.489379	-422.480935	-422.479991	-422.522943	31.897
+C	 3.4446190431	-0.1489105369	 0.5644195542	-0.468949
+C	 3.3693401248	-0.564469222	-0.9055749025	 0.283903
+C	 3.4578384901	 0.6739011517	-1.887803911	-0.305855
+C	 4.8568957128	 0.1928064879	-2.2922428605	 0.035492
+O	 4.7154178692	-1.1212953047	-2.8462940923	-0.242191
+C	 4.7642312961	-0.9897402861	-1.42454454	-0.03441
+C	 2.2000259111	-1.5127344338	-1.1212882163	 0.02612
+C	 2.3117073918	-2.8241089156	-1.7810086616	-0.184287
+O	 1.7248768624	-1.7102954446	-2.4512165355	-0.2295
+H	 3.5424730486	-1.0244713267	 1.2169086705	 0.12047
+H	 4.3062957856	 0.5011815125	 0.7460793614	 0.119319
+H	 2.5423272209	 0.394329665	 0.8644713572	 0.124667
+H	 2.7322847141	 0.6846177171	-2.7020541351	 0.130899
+H	 3.4505830397	 1.629509182	-1.357807745	 0.102696
+H	 5.7183474313	 0.7686866972	-2.6085236898	 0.104806
+H	 5.5265480521	-1.5533140821	-0.895732267	 0.094875
+H	 1.3928603874	-1.3923434281	-0.3941846774	 0.081686
+H	 3.2725954266	-3.1419875363	-2.1781188972	 0.131247
+H	 1.6239411422	-3.6246316065	-1.5099557422	 0.10901
+19
+0 1667	2.5604298	1.664918	1.2829066	2.62	74.24	-0.23482	0.0729	0.30772	1045.4417	0.155531	-422.490524	-422.482186	-422.481241	-422.523287	32.002
+C	 3.1899216896	-0.7948857649	 0.7550902886	-0.433331
+C	 3.2398460632	-0.8326583725	-0.7684767279	 0.382071
+O	 3.4876018921	 0.5203447375	-1.2814331146	-0.337559
+C	 4.808715288	 0.1382005306	-1.6747186951	 0.096182
+C	 4.7861674351	-0.8896828646	-2.7545677813	-0.306933
+C	 4.5940182282	-1.3121881895	-1.3082646811	-0.1868
+C	 1.9519763292	-1.4093157337	-1.3106904991	 0.04187
+C	 1.8101959749	-2.8372732129	-1.624481996	-0.180726
+O	 1.8993701398	-1.8600850328	-2.6607786506	-0.228445
+H	 3.0995502394	-1.8063511891	 1.1660981135	 0.116271
+H	 4.1004520657	-0.3367106848	 1.1485990258	 0.127435
+H	 2.3331336827	-0.2049146828	 1.0949987968	 0.126288
+H	 5.6170029988	 0.8297861719	-1.4685242618	 0.101573
+H	 3.9615744803	-0.9307769914	-3.4546975095	 0.14519
+H	 5.7611955916	-1.1512868942	-3.1559757384	 0.109861
+H	 5.2453853978	-2.0076761077	-0.7957169776	 0.094614
+H	 1.0612230658	-0.8626851314	-0.9949341606	 0.098659
+H	 2.6753302354	-3.4922554759	-1.5315294249	 0.117272
+H	 0.8415245921	-3.3226892918	-1.5166056561	 0.116509
+19
+0 1668	2.6559654	1.5499785	1.2515683	1.6331	74.23	-0.2486	0.07186	0.32045999999999997	1061.5891	0.156293	-422.502776	-422.494487	-422.493543	-422.535429	32.172
+O	 4.1589785722	-2.1782497921	 0.1307948505	-0.486513
+C	 3.2187239983	-1.1993062368	-0.2833564573	 0.381529
+C	 3.8443118153	-0.0600566873	-1.1646433066	-0.305331
+C	 3.5976151476	 0.9338661921	-0.0185679863	-0.055035
+C	 2.1298646725	 1.0005529434	 0.2808578275	-0.287762
+C	 2.9267297148	-0.1617989309	 0.8160999491	-0.137291
+C	 2.0555443341	-1.9926963521	-0.8310388376	 0.069646
+C	 1.9874977136	-2.4028042724	-2.2365467344	-0.181632
+O	 1.1761649769	-1.331931615	-1.7415500631	-0.236269
+H	 4.8275450105	-1.7330558094	 0.6631598833	 0.278814
+H	 4.89808761	-0.2775850534	-1.3536065369	 0.100319
+H	 3.3439179641	 0.1742727696	-2.1081775409	 0.109392
+H	 4.286465458	 1.7047966324	 0.3039561558	 0.085383
+H	 1.837161921	 1.7282730987	 1.0312711849	 0.110887
+H	 1.4023968799	 0.8470011894	-0.5093686512	 0.139808
+H	 2.9965492778	-0.3762538479	 1.8772546052	 0.083118
+H	 1.5528980689	-2.6142482285	-0.0889254682	 0.095573
+H	 2.7818950614	-2.108051082	-2.9197893418	 0.117657
+H	 1.4470379332	-3.3071346179	-2.509346482	 0.117708
+19
+0 1669	3.2700218	1.2736147	1.1732892	1.9907	75.03	-0.24395	0.06328	0.30723	1124.758	0.155883	-422.5012	-422.492831	-422.491887	-422.534019	32.478
+O	-1.0830901979	-1.4841742385	 1.3340947089	-0.484177
+C	-0.4536465794	-0.2191761342	 1.2928088108	 0.363849
+C	-1.4781947118	 0.9889362365	 1.3532867415	-0.319054
+C	-0.9146621757	 1.3384227431	 2.7359636134	 0.02409
+O	 0.4847810183	 1.5949503663	 2.558696986	-0.240847
+C	 0.0609842936	 0.2352694907	 2.6862178788	-0.049661
+C	 0.5544373254	-0.2135956262	 0.1762317569	-0.001355
+C	 1.3133297248	-1.4625018122	-0.1938990278	-0.274597
+C	 0.2671526134	-0.9090560502	-1.1303124255	-0.275845
+H	-1.7061629518	-1.4927025047	 2.0682941702	 0.280106
+H	-1.3792324604	 1.7710017845	 0.5970548757	 0.113291
+H	-2.5075823448	 0.6199010859	 1.369105277	 0.102107
+H	-1.3982573472	 1.8160294885	 3.5802309212	 0.105219
+H	 0.517267794	-0.3679762434	 3.4646391814	 0.101678
+H	 1.0984933827	 0.722995336	 0.1252894399	 0.097242
+H	 2.3584226208	-1.3597852645	-0.464149804	 0.106027
+H	 1.0661361161	-2.372749915	 0.339031124	 0.123385
+H	 0.5905987844	-0.4270933506	-2.046341185	 0.105477
+H	-0.6640605245	-1.457501832	-1.2078526235	 0.123065
+19
+0 1670	3.1370688	1.4000207	1.2534921	3.2406	74.68	-0.24114	-0.02035	0.22079	1061.0789	0.156808	-422.553094	-422.544923	-422.543979	-422.585721	31.282
+C	-0.0712165863	 0.0131232772	-0.2168839725	-0.465986
+C	 1.3943048649	-0.0217389777	 0.2098216689	 0.217984
+C	 2.4015548	-0.5699993024	-0.8743184815	-0.284958
+C	 2.9767909376	-1.7469237863	-0.060088306	 0.083147
+C	 1.7363669884	-2.4356658432	 0.543200983	-0.235832
+C	 1.7457177199	-1.0912865906	 1.3002408053	 0.029412
+O	 3.2047482998	-1.1211813308	 1.2450830617	-0.296228
+C	 1.846093823	 1.3453424565	 0.6919626665	 0.11583
+O	 1.1715613483	 2.3440913338	 0.6473608802	-0.262907
+H	-0.7203231857	 0.2426552618	 0.6338001425	 0.126604
+H	-0.2313963407	 0.7991005103	-0.9591540996	 0.138123
+H	-0.3911247193	-0.9390733224	-0.6472683338	 0.10953
+H	 1.890493093	-0.8760903543	-1.7908304569	 0.110775
+H	 3.1828370067	 0.1480660891	-1.1367236488	 0.117128
+H	 3.836923309	-2.2882587569	-0.4526571813	 0.086792
+H	 0.8952772729	-2.6990721945	-0.1003556229	 0.103247
+H	 2.0126104795	-3.2598656997	 1.2010220213	 0.118981
+H	 1.3358247083	-0.9573284156	 2.3016706371	 0.090208
+H	 2.8781905809	 1.3616561158	 1.0999900568	 0.098151
+19
+0 1671	2.9179973	1.5184891	1.3356636	2.4833	74.66	-0.2394	-0.02864	0.21076	1028.2686	0.156318	-422.552059	-422.543849	-422.542905	-422.585133	31.41
+C	-0.0520678241	-0.386879254	 0.0797883955	-0.453234
+C	 1.4078997123	 0.0509707532	-0.0221609326	 0.312959
+O	 1.7423393429	 0.4908251637	-1.3622666293	-0.329764
+C	 2.2441488836	 1.8240855313	-1.1332536808	 0.113862
+C	 3.1717467912	 1.659343735	 0.0941897215	-0.250706
+C	 1.7977306333	 1.3268516314	 0.7672628171	-0.082711
+C	 1.2054459886	 2.4339803637	-0.1636608258	-0.249967
+C	 2.2995254869	-1.1363662516	 0.3480782351	 0.119037
+O	 2.2707607754	-1.6803320921	 1.421611086	-0.26516
+H	-0.2315142546	-0.8290674885	 1.0634726183	 0.140157
+H	-0.7338821628	 0.4527440658	-0.067835462	 0.1214
+H	-0.2720518446	-1.1398505897	-0.683117797	 0.131213
+H	 2.5435623422	 2.2677845236	-2.0809842986	 0.084317
+H	 3.9443131639	 0.8888234276	 0.0487982663	 0.105385
+H	 3.5909645352	 2.6019810637	 0.448249575	 0.1075
+H	 1.6525735169	 1.2994323054	 1.8452262786	 0.091706
+H	 0.154903866	 2.3879785836	-0.4535903744	 0.105216
+H	 1.46864112	 3.437293219	 0.1755159249	 0.10644
+H	 2.9789227076	-1.465611991	-0.4689998175	 0.092348
+19
+0 1672	3.2789767	1.3717806	1.2601003	2.5052	75.69	-0.2612	-0.0355	0.22569999999999998	1057.9303	0.15804	-422.568249	-422.560571	-422.559627	-422.600151	30.703
+O	 1.1549408716	 1.1057651815	-1.74884565	-0.494596
+C	 2.1137756201	 0.2178146306	-1.2355110623	 0.354448
+C	 3.5714084096	 0.5449681755	-1.7467784331	-0.282741
+C	 3.8296594255	-0.7111710393	-2.5999640293	-0.014238
+C	 3.3789558744	-1.8405699412	-1.6312299695	-0.241823
+C	 1.9769647556	-1.2020739283	-1.8605545925	-0.066684
+C	 2.463030499	-0.9170561149	-3.3121550802	-0.227111
+C	 2.0113762827	 0.2049159559	 0.2713714654	 0.095092
+O	 1.2081664721	 0.8873519876	 0.8645326559	-0.279959
+H	 0.6896464514	 1.4630408866	-0.9754232397	 0.289355
+H	 3.5350760769	 1.4736747888	-2.3195613876	 0.122477
+H	 4.3033551063	 0.6588172381	-0.9401376418	 0.098345
+H	 4.7758680606	-0.7564039107	-3.1389477012	 0.065972
+H	 3.4466162166	-2.8349877936	-2.078242213	 0.105536
+H	 3.8055773324	-1.8625075613	-0.6241901895	 0.089856
+H	 1.045373696	-1.7270536811	-1.6492343861	 0.07188
+H	 2.4449750996	-1.8169097174	-3.9310236654	 0.098316
+H	 2.0142816198	-0.0744963804	-3.8405949211	 0.118792
+H	 2.7080937297	-0.4628733664	 0.8141417109	 0.097083
+19
+0 1673	2.8264181	1.4008776	1.2440821	1.7028	74.87	-0.23407	-0.02697	0.2071	1090.6587	0.155652	-422.558519	-422.5499	-422.548956	-422.592111	32.335
+C	-0.1130206986	 0.5450288802	 0.4639839028	-0.446239
+C	 1.2144622477	-0.0736189157	 0.0339541304	 0.291882
+C	 1.6342126212	-1.3401857201	 0.8107051943	-0.308341
+C	 2.2250220164	-2.245853222	-0.2655861614	-0.055437
+C	 1.2553246476	-2.91583554	-1.2219126712	-0.305488
+C	 1.8904586606	-1.6016572725	-1.5794436545	 0.089862
+O	 1.1052927847	-0.4536109981	-1.3536099914	-0.300442
+C	 2.2994561248	 1.0114801121	 0.087352249	 0.135642
+O	 3.1572182449	 1.1051344797	 0.9254102268	-0.249712
+H	-0.0782942121	 0.8321966682	 1.51907839	 0.133473
+H	-0.3419701494	 1.4340333142	-0.1319107522	 0.12947
+H	-0.9183309819	-0.1801975096	 0.3175472366	 0.130132
+H	 2.3741086938	-1.0751039601	 1.5691598134	 0.134942
+H	 0.7739983947	-1.7945265918	 1.3122810146	 0.101852
+H	 3.1899594449	-2.7059674329	-0.0919470445	 0.098353
+H	 1.5971795151	-3.8044404665	-1.7423186846	 0.114042
+H	 0.1981054109	-2.9053177708	-0.9766816017	 0.115775
+H	 2.5861712062	-1.5098198214	-2.4067795542	 0.099749
+H	 2.2225449986	 1.7274177671	-0.7616095118	 0.090485
+19
+0 1674	3.556997	1.176352	1.1622407	2.7468	74.77	-0.25212	-0.02288	0.22924	1127.2695	0.156276	-422.567911	-422.559502	-422.558558	-422.600859	31.884
+C	-0.1316198177	 0.043937855	 0.0817127982	-0.441463
+C	 1.3935981432	-0.0170301476	-0.0473103256	 0.208779
+C	 2.0604055206	-0.765414017	 1.1570864574	-0.300623
+C	 2.5244568654	 0.3233082365	 2.1018099715	 0.05239
+O	 1.5226333217	 1.3084681455	 2.3915809734	-0.250293
+C	 2.5167666591	 1.6108631469	 1.4024073377	 0.052408
+C	 2.0473872444	 1.4066617703	-0.0227718619	-0.300638
+C	 1.7943307779	-0.7156808197	-1.3375533425	 0.124136
+O	 1.0376501748	-1.1656180331	-2.1562344664	-0.248195
+H	-0.408113854	 0.54671111	 1.0095666948	 0.137213
+H	-0.5682479937	 0.5843603759	-0.7629414031	 0.121531
+H	-0.5590018237	-0.9627733771	 0.078225473	 0.121539
+H	 1.3623148671	-1.467897424	 1.6214020705	 0.123723
+H	 2.9379848939	-1.3423581412	 0.8346443946	 0.104598
+H	 3.2021067269	 0.0933212508	 2.9203612737	 0.099198
+H	 3.1881476205	 2.428951711	 1.6516215279	 0.099199
+H	 1.3405191436	 2.1721272341	-0.3556780981	 0.123709
+H	 2.92113518	 1.4584150925	-0.6867600551	 0.104587
+H	 2.90066118	-0.7867291589	-1.4813727401	 0.068202
+19
+0 1675	3.1129391	1.2621873	1.1861224	2.4429	74.92	-0.26611	-0.0344	0.23171000000000003	1118.4798	0.156934	-422.571657	-422.56339	-422.562445	-422.604384	32.042
+O	 1.429940029	 2.3263624022	-0.8283397436	-0.476112
+C	 2.3439160477	 1.2567619918	-0.8131910774	 0.331279
+C	 3.8204746744	 1.7747315255	-0.7083060925	-0.300267
+C	 4.6459301172	 1.0175103342	-1.7312499663	-0.023736
+C	 4.6655934362	-0.4898198184	-1.6689284831	-0.295822
+C	 3.7147176764	 0.2095576618	-2.6086278746	-0.023728
+C	 2.286844229	 0.4440426665	-2.1532982801	-0.300257
+C	 2.0055399036	 0.3639087688	 0.3680694664	 0.111786
+O	 1.089686328	 0.6061484887	 1.1170494278	-0.281754
+H	 0.8403166199	 2.183094004	-0.070441874	 0.290715
+H	 3.7799037591	 2.8393951588	-0.954018082	 0.130105
+H	 4.21714559	 1.6948878287	 0.3110466519	 0.104128
+H	 5.5117666341	 1.5191497849	-2.148448784	 0.089051
+H	 5.5189517916	-0.9893444291	-2.1146598516	 0.115253
+H	 4.2807004093	-0.9996990942	-0.7908885001	 0.106009
+H	 3.8928716606	 0.1144857267	-3.6738010759	 0.089048
+H	 1.7526112766	 1.0803967632	-2.8640507644	 0.130106
+H	 1.7081453856	-0.4821436805	-2.052886708	 0.104128
+H	 2.6436514216	-0.5301225235	 0.5140501715	 0.100068
+19
+0 1676	2.3678457	1.6421959	1.3490238	3.1701	74.83	-0.24245	-0.01937	0.22308	1043.7475	0.155692	-422.533189	-422.524521	-422.523577	-422.566868	31.887
+C	-0.1067199327	-0.0671916641	-0.0374612592	-0.470895
+C	 1.4156310531	 0.0535774297	 0.0416868759	 0.203972
+C	 2.2107258718	-0.6858085323	-1.077374729	-0.302733
+C	 2.7502471826	 0.6672597823	-1.6055641772	-0.071867
+C	 3.9905124734	 1.2063340397	-0.8627664779	-0.086606
+O	 3.1679703846	 1.8671642676	 0.1356344003	-0.284307
+C	 1.9619545394	 1.4248230314	-0.5049654249	 0.070494
+C	 1.8928359066	-0.2081401654	 1.4527235028	 0.134592
+O	 2.7154402959	-1.0305657855	 1.7638549281	-0.256793
+H	-0.5942090277	 0.5487495123	 0.7271938202	 0.124073
+H	-0.4698177905	 0.2670631025	-1.0150338085	 0.124388
+H	-0.4283342488	-1.1045350725	 0.1021672653	 0.132056
+H	 2.9622226919	-1.3860870994	-0.7066551745	 0.125897
+H	 1.5609911764	-1.203025922	-1.7872233622	 0.102362
+H	 2.6709942744	 0.8782039252	-2.6706521857	 0.080608
+H	 4.6530631187	 0.4542526917	-0.4191982043	 0.117994
+H	 4.5876133565	 1.9371243465	-1.420526392	 0.106968
+H	 1.2377409603	 2.2314344395	-0.6526532256	 0.073245
+H	 1.409721184	 0.4391655429	 2.2204395284	 0.076553
+19
+0 1677	2.8876594	1.3164536	1.2430494	1.5312	75.26	-0.24621	-0.02545	0.22076	1097.9736	0.155774	-422.531952	-422.523372	-422.522428	-422.565489	31.799
+C	-0.1591562973	-0.1007114345	-0.0309077814	-0.475062
+C	 1.3600870432	 0.0338056142	 0.0815877007	 0.220711
+C	 1.9552148621	 1.4404644235	-0.3276060645	-0.306285
+C	 2.7906254602	 0.7382987194	-1.4156602411	 0.134682
+O	 2.0937247471	 0.644470218	-2.6766433876	-0.295788
+C	 1.7114157914	-0.7281079478	-2.4117210069	-0.101899
+C	 2.2647927314	-0.6580949218	-0.9838128536	-0.124077
+C	 1.784308547	-0.2960704848	 1.4957595422	 0.116893
+O	 2.5929561108	-1.1287902984	 1.8163986928	-0.253959
+H	-0.6568904187	 0.4712606301	 0.7606871881	 0.1229
+H	-0.5151953507	 0.288817329	-0.9881527952	 0.139329
+H	-0.4775423293	-1.1450156627	 0.0576139844	 0.129406
+H	 1.2314253806	 2.1617454923	-0.7135518189	 0.117152
+H	 2.5522544885	 1.9145900132	 0.4582185621	 0.109352
+H	 3.8411778492	 1.0149231913	-1.5357184899	 0.081408
+H	 0.6371234019	-0.8976591313	-2.5458347259	 0.102132
+H	 2.2618559542	-1.4228287047	-3.0593521357	 0.104427
+H	 2.8831827828	-1.4714592566	-0.6116134761	 0.101874
+H	 1.2785373154	 0.3357955718	 2.2645964966	 0.076803
+19
+0 1678	2.9640793	1.3142245	1.2562243	2.1101	75.3	-0.23874	-0.02746	0.21128000000000002	1102.4437	0.155296	-422.536485	-422.527772	-422.526828	-422.570179	32.238
+C	 0.1438735902	-0.4689301504	-0.0668036434	-0.458892
+C	 1.5446098558	 0.1105224605	 0.0405651639	 0.315989
+O	 1.5616657522	 1.568841626	-0.0209855373	-0.346434
+C	 2.6032538404	 1.5505852844	-1.0287113635	 0.12082
+C	 2.0469263038	 1.6713944041	-2.4644808799	-0.231914
+C	 1.9850865865	 0.1127696434	-2.5577481162	-0.25775
+C	 2.5559786708	-0.0010055489	-1.1189767979	-0.118821
+C	 2.1540148794	-0.2726135607	 1.3856092377	 0.128522
+O	 3.0106893135	-1.1012058206	 1.5495736314	-0.253101
+H	-0.4583116053	-0.1710713238	 0.798314888	 0.130893
+H	-0.3582120503	-0.1020905368	-0.9651355385	 0.133211
+H	 0.1830082122	-1.5626013261	-0.1000819965	 0.13613
+H	 3.4681999116	 2.1504463516	-0.7359359971	 0.081972
+H	 1.0950981083	 2.204171348	-2.517905549	 0.112014
+H	 2.7465730467	 2.1244653419	-3.171665053	 0.105408
+H	 1.0004897525	-0.3294486236	-2.7256609644	 0.103695
+H	 2.6664565246	-0.2971050853	-3.3062832037	 0.110371
+H	 3.39715635	-0.6672213973	-0.9392228232	 0.09833
+H	 1.7325871872	 0.3200741136	 2.2294200025	 0.089557
+19
+0 1679	2.900123	1.3550825	1.1842984	2.5382	75.45	-0.2585	-0.03922	0.21928	1109.2144	0.156305	-422.54041	-422.532077	-422.531133	-422.573511	31.947
+O	 1.6897846927	 0.2599859297	-2.0210402187	-0.479972
+C	 1.5223183257	 1.0759375211	-0.8986916588	 0.32526
+C	 0.2118786859	 1.9463350383	-0.9325582269	-0.301652
+C	 1.0462470108	 3.2445566192	-0.8943974741	-0.006126
+C	 1.4631708885	 3.7392305252	 0.5238973129	-0.233232
+C	 2.8522602982	 3.0512507268	 0.3564656774	-0.242902
+C	 2.3691193487	 2.4060300742	-0.9669607389	-0.067304
+C	 1.6692504684	 0.2437302553	 0.3509963358	 0.101848
+O	 1.9224464117	-0.938081332	 0.3064116671	-0.28193
+H	 1.8867088953	-0.6258569231	-1.674591695	 0.289901
+H	-0.2817324636	 1.7752972807	-1.8913171644	 0.128059
+H	-0.5139997873	 1.7976018275	-0.1262559793	 0.097526
+H	 0.7924295456	 4.018319709	-1.6187124967	 0.072523
+H	 1.506327663	 4.824202006	 0.6397577021	 0.107315
+H	 0.8416074038	 3.34224026	 1.3329097903	 0.097275
+H	 3.6436018379	 3.7805830981	 0.1654251284	 0.110331
+H	 3.1995778693	 2.3929684457	 1.157373663	 0.099038
+H	 3.0431257339	 2.3974169994	-1.8232467223	 0.083965
+H	 1.5057516816	 0.7579502489	 1.3177516079	 0.100076
+19
+0 1680	2.9112472	1.2656527	1.0502911	1.8185	75.66	-0.24531	-0.02729	0.21802	1176.8513	0.154658	-422.494161	-422.485352	-422.484408	-422.528921	32.483
+C	-2.349534952	 1.8591345817	-0.2216747958	-0.476427
+C	-1.1392931054	 2.0340193966	 0.6914128033	 0.339642
+C	-0.5543595196	 0.6680737355	 1.1209785472	-0.37775
+C	 0.4240954705	 0.1291604162	 0.0995431362	 0.168941
+O	 1.5757882205	-0.134795353	 0.3338281912	-0.240553
+C	-0.166682028	 3.2146736886	 0.3246713711	 0.007627
+C	 0.3099619682	 3.3143588421	 1.7903400766	-0.237234
+C	-1.2325844409	 3.1786117813	 1.7602528103	 0.002247
+O	-1.2501196422	 4.168462693	 0.6598529369	-0.309803
+H	-3.1506050372	 1.3263092255	 0.3034656328	 0.116187
+H	-2.7286170205	 2.8263653341	-0.5501822776	 0.147789
+H	-2.0932686211	 1.2651263613	-1.106174989	 0.116065
+H	-0.0451363742	 0.6994070997	 2.0849322934	 0.123556
+H	-1.3836303412	-0.0467164532	 1.2052938826	 0.119753
+H	 0.0098618683	 0.001236631	-0.9269125788	 0.078104
+H	 0.3860991397	 3.3918424949	-0.5992040778	 0.099209
+H	 0.9243721369	 2.518352652	 2.2098226267	 0.113993
+H	 0.6578524704	 4.3071176622	 2.0744676729	 0.11383
+H	-1.9605572321	 3.3092136307	 2.5628977279	 0.094824
+19
+0 1681	3.0089727	1.4358767	1.2790713	1.8915	75.64	-0.27378	0.01042	0.2842	1061.1211	0.156874	-422.537995	-422.529809	-422.528865	-422.570642	31.357
+C	-2.1968825991	 1.7090659504	-0.5811730572	-0.492681
+C	-1.0951455322	 1.8943591184	 0.4491592223	 0.504202
+O	-0.7766568234	 0.5718457667	 0.975299716	-0.272782
+C	-0.0254910316	-0.2393018427	 0.2234181397	 0.16778
+O	 0.4465639885	 0.0054393879	-0.8541861392	-0.311461
+C	-1.1983976185	 2.946807584	 1.5888397178	-0.105703
+C	 0.3450106372	 2.8100954063	 1.7709055343	-0.231447
+C	 0.112058799	 2.8560338475	 0.2265444156	-0.090242
+C	-0.87254774	 4.0289225508	 0.5154691275	-0.246019
+H	-3.0276005755	 1.1547780879	-0.1336005989	 0.125347
+H	-2.5852266205	 2.6561886049	-0.955741471	 0.12625
+H	-1.8175014325	 1.1360035335	-1.4303381444	 0.150406
+H	 0.1010087242	-1.1940353663	 0.759743558	 0.107238
+H	-1.961697078	 2.9903843468	 2.3668757663	 0.076037
+H	 0.8481520028	 3.6811688046	 2.1960088464	 0.093768
+H	 0.7178913033	 1.8829473552	 2.20144206	 0.106638
+H	 0.855777055	 2.789319495	-0.5648209979	 0.094297
+H	-0.4086251163	 4.9380787824	 0.9026792462	 0.100582
+H	-1.6293549824	 4.2688750069	-0.2306828914	 0.09779
+19
+0 1682	3.795088	1.0954666	0.9886478	2.731	76.42	-0.24864	-0.01881	0.22983	1229.1775	0.155816	-422.517686	-422.509153	-422.508209	-422.551333	32.277
+O	-0.2553291733	 2.8666352301	-0.1917338392	-0.485427
+C	-1.1380709059	 2.1306125918	 0.6395401819	 0.466129
+C	-0.3756574778	 0.9133205116	 1.1740996657	-0.386476
+C	 0.2801121412	 0.1479169867	 0.0416772217	 0.175948
+O	 1.4435148962	-0.1584140505	 0.0087576053	-0.247247
+C	-2.5654589911	 1.9998972032	 0.0221953631	-0.091449
+C	-3.1117929251	 1.7840348319	 1.4637987072	-0.238241
+C	-2.086412969	 2.9480590335	 1.5860313448	-0.118544
+C	-2.7362878372	 3.5290307754	 0.2917426066	-0.229121
+H	 0.5715359142	 3.0024617811	 0.2836413436	 0.286361
+H	 0.4103563136	 1.228131121	 1.8713643285	 0.112596
+H	-1.0311331353	 0.2215592506	 1.7130030671	 0.126988
+H	-0.4123352999	-0.1326241132	-0.7839720875	 0.078746
+H	-2.8407352766	 1.4543088425	-0.8815195078	 0.076668
+H	-4.1559047131	 2.0679306186	 1.6088190697	 0.100996
+H	-2.8986279593	 0.8418003623	 1.9697912136	 0.091703
+H	-1.8048374662	 3.4897594017	 2.4910524139	 0.069794
+H	-3.7667192298	 3.8753544986	 0.3975722005	 0.090624
+H	-2.1318196055	 4.2065757629	-0.3056966287	 0.119952
+19
+0 1683	3.0077743	1.1507849	0.9752999	3.3346	75.97	-0.2427	-0.01897	0.22372999999999998	1245.6635	0.154777	-422.520328	-422.511284	-422.51034	-422.554876	32.812
+C	-2.2484922144	 1.9513696648	 0.3681393419	-0.464945
+C	-1.1003212098	 1.9701555636	-0.6281523429	 0.277986
+C	-0.4233732371	 0.6256511761	-0.8535360181	-0.349706
+C	 0.2108861412	 0.0962311187	 0.4156911186	 0.163504
+O	 0.0267135943	-1.0009563541	 0.8762270194	-0.245486
+C	-1.3065602629	 2.9799201677	-1.7544242715	-0.185339
+C	-0.0904410593	 3.0363255957	-2.6684707747	-0.114327
+O	 0.807588105	 3.1813897649	-1.5329511377	-0.287707
+C	-0.3113088477	 3.250972875	-0.6449282641	 0.059637
+H	-1.9260481584	 1.5667277592	 1.341593665	 0.132747
+H	-2.6569148704	 2.955052985	 0.5240996922	 0.119681
+H	-3.0633013542	 1.311067104	 0.0126269616	 0.129531
+H	-1.1258329911	-0.1216519702	-1.2355178428	 0.114993
+H	 0.3923344696	 0.7428253949	-1.5767761635	 0.134585
+H	 0.8962905657	 0.8211168889	 0.9134482068	 0.080918
+H	-2.2733535629	 3.4207082728	-1.9591488547	 0.101565
+H	 0.1441882806	 2.1575102629	-3.2810025376	 0.109338
+H	-0.0608732419	 3.9364302265	-3.2921057808	 0.116554
+H	-0.2756482263	 3.9792858133	 0.158369253	 0.106473
+19
+0 1684	3.4766042	1.1644074	1.1501499	1.9238	75.63	-0.25963	0.00856	0.26819000000000004	1160.4578	0.156169	-422.550535	-422.541938	-422.540994	-422.58366	32.295
+C	-2.2792849681	 1.4821302149	 0.7158829567	-0.483454
+C	-1.2441730165	 1.8126518445	-0.33017929	 0.457739
+O	-0.6578292508	 0.631057001	-0.9081559543	-0.263793
+C	 0.206363593	-0.0700065855	-0.1558734572	 0.169445
+O	 0.5637693298	 0.1834132699	 0.9605841866	-0.304003
+C	-1.3650999396	 2.8487356734	-1.4115531279	-0.114652
+C	-2.0378204265	 4.1239952736	-0.8954485407	-0.249222
+C	-0.941165853	 4.2379541235	 0.2167514673	-0.244638
+C	-0.2805215465	 2.9636725681	-0.3200633304	-0.093834
+H	-1.8102338622	 1.0044598856	 1.5790987012	 0.149289
+H	-2.7945508857	 2.3806888155	 1.0605722208	 0.127259
+H	-3.0302635676	 0.8025243342	 0.299887462	 0.123069
+H	 0.5426694939	-0.9392304827	-0.7437034414	 0.108869
+H	-1.2676553549	 2.5508208346	-2.4485460185	 0.093899
+H	-1.9753274323	 4.9434333773	-1.614114385	 0.110397
+H	-3.0787975603	 4.03264587	-0.5698311366	 0.100545
+H	-0.3123735764	 5.1199983388	 0.0811272514	 0.110941
+H	-1.2754793906	 4.2111640332	 1.2580299227	 0.10435
+H	 0.7850492242	 2.78296699	-0.3816038066	 0.097795
+19
+0 1685	2.4279866	1.3680225	1.0529148	3.2163	75.33	-0.23319	-0.01679	0.2164	1183.1936	0.154877	-422.530901	-422.521688	-422.520743	-422.565793	33.503
+O	-2.3166001544	 1.4081286949	-0.2265441646	-0.488058
+C	-1.1022591528	 1.7534737704	-0.8561234052	 0.446914
+C	-0.2905021595	 0.4851877126	-1.0487138704	-0.342739
+C	 0.2796487096	 0.0014004395	 0.2686218397	 0.166135
+O	 1.4516324922	-0.1971709552	 0.4681943268	-0.247459
+C	-1.1945002959	 2.8794177271	-1.8532994446	-0.141023
+C	 0.1396974971	 3.1701221704	-2.5454841633	-0.241519
+C	 0.8185720545	 3.3566562151	-1.1468657601	-0.246319
+C	-0.5291984013	 3.087485013	-0.4666702846	-0.146159
+H	-2.743284588	 2.2112297512	 0.0902270549	 0.284984
+H	-0.9672635556	-0.2836733446	-1.4442728107	 0.128723
+H	 0.5305438307	 0.6222003892	-1.7533081521	 0.124348
+H	-0.4758067354	-0.1453517756	 1.0705718094	 0.090945
+H	-2.1723237784	 3.1929127405	-2.2035574341	 0.086156
+H	 0.5355524664	 2.3840702895	-3.1964923289	 0.103629
+H	 0.1177845458	 4.1026571474	-3.1132720387	 0.109584
+H	 1.6298138593	 2.6696503314	-0.8888200158	 0.120103
+H	 1.1697592079	 4.3789743454	-0.9944771894	 0.109908
+H	-0.9010717322	 3.6071358877	 0.4114027016	 0.08185
+19
+0 1686	4.0420523	0.8534172	0.8240407	0.5778	76.51	-0.25078	-0.03417	0.21661	1416.0232	0.153176	-422.577094	-422.567459	-422.566515	-422.612641	34.563
+C	-2.1948568009	 1.6255965412	 0.2445989187	-0.448583
+C	-1.0121420805	 2.0228859419	-0.6432225549	 0.3082
+C	-0.1994773243	 0.7953383385	-1.0855890762	-0.340648
+C	 0.4222062328	 0.046306195	 0.0739714802	 0.162189
+O	 0.2672178443	-1.125948061	 0.2997467221	-0.238516
+C	-1.4550748585	 2.9622906379	-1.8186686718	-0.394885
+C	-0.8519259811	 4.1425709725	-1.0432186901	 0.412573
+O	-0.9232196986	 5.3307613355	-1.1538327818	-0.285015
+C	-0.1791469336	 3.2063986212	-0.0282306834	-0.394141
+H	-1.8604508674	 1.1339090577	 1.1643142963	 0.130646
+H	-2.7822741369	 2.503880636	 0.5325581354	 0.123023
+H	-2.8618338699	 0.9328799883	-0.2795439613	 0.127917
+H	-0.8204034867	 0.0951531639	-1.6535335001	 0.123889
+H	 0.6225741523	 1.1257094914	-1.7375167372	 0.114489
+H	 1.0639295522	 0.6735246071	 0.7367242651	 0.076488
+H	-0.9158562264	 2.7810006218	-2.7551611118	 0.12954
+H	-2.5241369764	 3.0211537658	-2.0401739832	 0.13187
+H	 0.8986810039	 3.1343824468	-0.2126779616	 0.128017
+H	-0.3340644943	 3.4432874887	 1.0277174756	 0.132948
+19
+0 1687	2.5952939	1.1952297	0.9794073	2.5582	78.	-0.25021	-0.0309	0.21930999999999998	1252.84	0.153769	-422.568853	-422.559181	-422.558237	-422.6035	34.561
+C	-2.2172060062	 1.8012191961	-0.375196023	-0.467888
+C	-1.0634204724	 2.0158595487	 0.5872407716	 0.367163
+C	-0.4842562274	 0.7482449426	 1.1831930444	-0.39763
+C	 0.2682026071	-0.1170535273	 0.1963801204	 0.162002
+O	 0.4739379223	 0.1514860382	-0.9602091493	-0.240893
+C	-0.1505641237	 3.1643327657	 0.3473436022	-0.296634
+C	-1.1690503119	 3.2829006487	 1.4770196309	-0.178399
+C	-0.6974707163	 3.3007594961	 2.8758462712	 0.141037
+O	 0.3285787805	 2.7948195329	 3.279127287	-0.27905
+H	-3.04976192	 1.2827132682	 0.1138031831	 0.115979
+H	-2.5942880627	 2.7518640811	-0.7635736396	 0.116121
+H	-1.8848951286	 1.197026948	-1.2238473901	 0.151246
+H	 0.2119127714	 0.9774047093	 2.000370541	 0.168633
+H	-1.2662409544	 0.1211481408	 1.6373816941	 0.119255
+H	 0.649706184	-1.0669642982	 0.6371837421	 0.082462
+H	 0.8802405599	 3.0702312995	 0.6715116302	 0.138626
+H	-0.3070674838	 3.7855317705	-0.5272350687	 0.123712
+H	-2.0484847298	 3.8916116584	 1.2940538503	 0.092672
+H	-1.371296498	 3.8340129309	 3.5818785621	 0.081584
+19
+0 1688	2.7391602	1.478912	1.2557656	1.9384	75.11	-0.26063	0.0125	0.27313	1072.8989	0.156061	-422.561226	-422.552691	-422.551746	-422.594185	32.354
+C	-2.142115283	 1.6558361159	-0.4980043913	-0.460334
+C	-1.0160116563	 1.85302504	 0.5050421426	 0.425939
+C	-1.3653995851	 2.8101140369	 1.6849774732	-0.297076
+C	-0.3057829902	 3.7899170423	 1.1656071764	-0.050805
+C	 1.0354076306	 3.120961448	 1.1745548591	-0.289212
+C	 0.0855663653	 2.8087611005	 0.0514859059	-0.062175
+O	-0.5750209508	 0.5588257388	 1.0143313848	-0.259329
+C	 0.153104457	-0.2175983434	 0.2065022818	 0.177845
+O	 0.4748634757	 0.0193659988	-0.9271685654	-0.31275
+H	-2.9610987943	 1.0905670851	-0.0423960126	 0.120839
+H	-2.5286581155	 2.6281479943	-0.8166930519	 0.122436
+H	-1.7836572945	 1.1201656812	-1.3792627755	 0.149211
+H	-2.3925140669	 3.1755269439	 1.6233813052	 0.107047
+H	-1.188672339	 2.4028535644	 2.6845062376	 0.106551
+H	-0.4212424355	 4.8642935782	 1.1038683721	 0.090578
+H	 1.8768980756	 3.7437555853	 0.8895767997	 0.116095
+H	 1.2687144428	 2.3705048443	 1.9255697504	 0.113354
+H	 0.3386855164	 2.9942307291	-0.9838505907	 0.09574
+H	 0.4250498877	-1.1351424034	 0.7540082786	 0.106045
+19
+0 1689	3.1549829	1.1309087	0.9930868	3.239	75.27	-0.24659	-0.02118	0.22541	1231.594	0.154291	-422.529553	-422.520506	-422.519562	-422.563893	33.083
+C	-2.1609382033	 1.6053209689	 0.1705271875	-0.459098
+C	-0.9860065369	 1.9639283305	-0.7379982479	 0.274715
+C	-0.1649050073	 0.7335619653	-1.1581024807	-0.328619
+C	 0.4437962274	 0.0005745068	 0.0139515195	 0.156997
+O	 0.3003224176	-1.1720636987	 0.2501024723	-0.245049
+C	-1.4140454258	 2.912792596	-1.9290642107	-0.316416
+C	-0.5807875511	 4.0265265191	-1.2881894187	 0.039494
+O	 0.769597917	 3.551027526	-1.1968038229	-0.249231
+C	-0.1581949261	 3.1538425604	-0.1837987755	-0.008248
+H	-1.8246934484	 1.100556356	 1.0830718017	 0.128635
+H	-2.715416906	 2.5012601402	 0.4692474129	 0.117836
+H	-2.8564746138	 0.9324300443	-0.3417884106	 0.129146
+H	-0.7755051453	 0.0301997563	-1.7327998668	 0.115356
+H	 0.6592542929	 1.0835417437	-1.7932892133	 0.135495
+H	 1.0707059431	 0.6405115503	 0.6793971632	 0.074289
+H	-1.0973837751	 2.6174550148	-2.9325115563	 0.112127
+H	-2.4882859958	 3.1128073257	-1.9277050364	 0.110215
+H	-0.7216830378	 5.1003437346	-1.3254839255	 0.108791
+H	 0.0977226045	 3.3808763198	 0.8457766682	 0.103566
+19
+0 1690	2.8278791	1.3382293	1.1807052	0.9269	74.74	-0.23692	-0.02524	0.21167999999999998	1119.9871	0.154253	-422.528485	-422.519626	-422.518682	-422.562038	33.132
+C	-2.0615787218	 1.8831166755	 0.4814148626	-0.442102
+C	-1.1423109382	 1.9345725078	-0.7302289132	 0.420451
+C	-0.517998106	 0.5788423172	-1.053876399	-0.356504
+C	 0.5004738285	 0.0811876126	-0.0559383832	 0.162115
+O	 0.8405082817	 0.6601286097	 0.9455519415	-0.241074
+O	-1.8891901646	 2.4506809172	-1.8875601459	-0.34095
+C	-1.1540174949	 3.6761300696	-1.8299275901	 0.096968
+C	 0.2914099958	 3.4497605249	-2.1313230559	-0.317438
+C	-0.2406637085	 3.1761767641	-0.7382947838	-0.147257
+H	-2.8706476865	 1.1654937375	 0.3113885295	 0.116815
+H	-1.500687947	 1.5842645752	 1.37066484	 0.141316
+H	-2.5066675606	 2.8657682757	 0.6575635247	 0.121691
+H	-1.296383065	-0.1916017533	-1.1551633918	 0.131239
+H	-0.0234501784	 0.605049786	-2.033636292	 0.131588
+H	 0.9514347743	-0.9021909041	-0.3225742791	 0.085503
+H	-1.6982091038	 4.6021848489	-1.9736120829	 0.103182
+H	 0.5857182498	 2.6500497093	-2.804788305	 0.110492
+H	 0.9010787058	 4.3458912948	-2.1991771134	 0.117013
+H	 0.1446462293	 3.6597060015	 0.1482114668	 0.106953
+19
+0 1691	2.9269264	1.2045387	1.1096065	2.6453	75.12	-0.24217	-0.02058	0.22159	1176.2337	0.155111	-422.541832	-422.532846	-422.531902	-422.576143	33.307
+O	-0.062722008	 2.7406473596	 0.3009636988	-0.487519
+C	-1.0120691228	 2.0762779847	-0.5140863311	 0.395573
+C	-0.2524256635	 0.9160204284	-1.1737826429	-0.30817
+C	 0.3187706172	-0.0079991353	-0.1153999683	 0.153841
+O	-0.2487739346	-0.9949860697	 0.2831130896	-0.249889
+C	-1.8307547051	 2.9324933436	-1.5499810541	-0.309593
+C	-3.1242683846	 2.4091999793	-0.9155053588	-0.027908
+C	-3.1713042683	 2.8201490382	 0.5248975949	-0.308538
+C	-2.3279808767	 1.6320674689	 0.138353433	-0.093783
+H	-0.540337031	 3.3152142587	 0.9080866255	 0.281846
+H	-0.9343386215	 0.3451751026	-1.808791321	 0.122869
+H	 0.5587756393	 1.332930377	-1.7813329687	 0.113207
+H	 1.300921382	 0.2960074243	 0.3028583767	 0.093571
+H	-1.6722200315	 4.0140216855	-1.4835903365	 0.096504
+H	-1.6673824055	 2.6157011479	-2.582407658	 0.107086
+H	-4.0060628619	 2.0898393401	-1.4553894967	 0.09226
+H	-2.7264971058	 3.7649358808	 0.8363395313	 0.095422
+H	-4.077027781	 2.5711679383	 1.06787305	 0.121443
+H	-2.5044630568	 0.6473229468	 0.5529485963	 0.111779
+19
+0 1692	3.2280982	1.2272726	1.1459397	1.9142	76.16	-0.24677	0.00934	0.25611	1143.523	0.156413	-422.602585	-422.593934	-422.59299	-422.635797	32.516
+C	-0.0802796661	 2.651828776	-0.442384019	-0.44277
+C	-1.1395364057	 1.7346528742	 0.16743707	 0.41923
+C	-2.4553637987	 1.7777613437	-0.6547299384	-0.307334
+C	-3.347729409	 2.6813207062	 0.1568422824	-0.066941
+C	-2.8563481274	 2.9017975516	 1.374743648	-0.066219
+C	-1.5482783282	 2.1859434673	 1.5993392145	-0.294005
+O	-0.6805541814	 0.3473616252	 0.117821821	-0.263376
+C	 0.3595944045	-0.0299113354	 0.8653122581	 0.176091
+O	 0.9931890874	 0.6473833783	 1.6301508797	-0.312425
+H	 0.8240976601	 2.6688496379	 0.167103395	 0.149058
+H	 0.1728784998	 2.3212614882	-1.4544251528	 0.118203
+H	-0.4823142197	 3.6678552464	-0.5043061888	 0.126498
+H	-2.2850799129	 2.135724583	-1.6765103781	 0.104488
+H	-2.8755791362	 0.7678034888	-0.7405528545	 0.120066
+H	-4.2865219197	 3.0669058206	-0.2239954651	 0.095604
+H	-3.3321312386	 3.4958281149	 2.1469816835	 0.096072
+H	-0.7776293558	 2.805730988	 2.065743042	 0.120865
+H	-1.6839254503	 1.3179124988	 2.2562810926	 0.118175
+H	 0.5530304278	-1.097998464	 0.6724261899	 0.108719
+19
+0 1693	2.7552567	1.1544832	1.0226253	3.1061	76.33	-0.24198	-0.02211	0.21987	1232.889	0.155211	-422.581874	-422.572713	-422.571769	-422.616785	33.503
+O	-0.0247104159	 2.9138750617	-0.1804704876	-0.474774
+C	-1.0235457796	 2.2051250664	 0.550605077	 0.382005
+C	-0.4187978556	 0.9260080082	 1.172813632	-0.328758
+C	 0.2051960372	 0.0001691305	 0.1495805036	 0.159342
+O	-0.0014525666	-1.1859748428	 0.090161021	-0.248027
+C	-2.1771702976	 1.8593802779	-0.4318257354	-0.29699
+C	-3.4263756745	 2.1395639774	 0.3624516445	-0.057784
+C	-3.1681130871	 2.794943098	 1.4930236688	-0.057619
+C	-1.6960779334	 3.0729949218	 1.6584614739	-0.324124
+H	 0.6518014749	 3.2061954549	 0.440373248	 0.276643
+H	 0.3740243273	 1.2236542616	 1.8769486244	 0.106448
+H	-1.1740162322	 0.3721630329	 1.7383876619	 0.128449
+H	 0.8913327527	 0.5029402133	-0.5649463104	 0.089384
+H	-2.1038420733	 2.5080457404	-1.3135444814	 0.125472
+H	-2.1228387535	 0.8267602404	-0.7948420578	 0.118079
+H	-4.4123602393	 1.8527096554	 0.0148175302	 0.097406
+H	-3.9099771201	 3.1284045007	 2.2099135846	 0.095704
+H	-1.4681083856	 4.1323636835	 1.4767405565	 0.111311
+H	-1.3200551677	 2.8327786877	 2.6608087163	 0.097831
+19
+0 1694	2.9858335	1.0355578	0.9666447	3.2359	76.91	-0.24168	-0.03649	0.20519	1291.1675	0.153666	-422.576812	-422.566949	-422.566005	-422.613115	34.432
+C	-2.2021388374	 1.7046773892	 0.2118624992	-0.442681
+C	-0.9664665284	 2.0170383335	-0.6444111244	 0.174651
+C	-0.2225635515	 0.7353084946	-1.0701849345	-0.320584
+C	 0.3492365858	-0.0042558701	 0.1191876303	 0.153349
+O	-0.0471573578	-1.0676504494	 0.5225025824	-0.237099
+C	-0.1024199164	 3.2067067381	-0.0900339901	-0.283621
+C	-0.6951838359	 4.1680962715	-1.1635894422	-0.34392
+C	-1.3312745303	 2.9410240009	-1.8327305053	 0.379578
+O	-1.8403491251	 2.7360496085	-2.8953626449	-0.300304
+H	-1.9198732359	 1.1871048254	 1.1340889083	 0.136833
+H	-2.7344469225	 2.620238024	 0.4888929008	 0.119534
+H	-2.8967051814	 1.0625342553	-0.3378982397	 0.141216
+H	-0.9036628542	 0.0708689066	-1.608746235	 0.136222
+H	 0.605151666	 1.0039421548	-1.7401181342	 0.113227
+H	 1.184166369	 0.5238364808	 0.6361347226	 0.07559
+H	-0.297203585	 3.4767941326	 0.9489637638	 0.113294
+H	 0.9715196731	 3.0516033636	-0.2158515048	 0.11101
+H	-1.4459019051	 4.8641779153	-0.7764721634	 0.13879
+H	 0.002864943	 4.7319208751	-1.787215559	 0.134916
+19
+0 1695	2.3818595	1.3504979	1.1170153	2.7301	77.08	-0.23566	-0.01764	0.21802000000000002	1174.6732	0.154578	-422.574173	-422.564904	-422.56396	-422.608803	33.435
+C	-1.7105743835	 2.8393008567	-1.7800662694	-0.411058
+C	-1.0837155581	 2.0093910751	-0.6506996043	 0.30308
+C	-0.2256460228	 0.8671619723	-1.2447000744	-0.297084
+C	 0.4331687181	 0.003275599	-0.1921769753	 0.156131
+O	 0.4002484393	-1.2013437495	-0.1806700546	-0.248727
+O	-0.2226861724	 2.8556532538	 0.136810272	-0.304413
+C	-0.7190266285	 2.9901286945	 1.4669926908	-0.132694
+C	-1.9116184457	 2.0789197673	 1.5315482427	-0.097124
+C	-2.1140049126	 1.5218418111	 0.3442957352	-0.105421
+H	-2.3706750961	 2.2245062339	-2.4004396164	 0.115743
+H	-2.2956691726	 3.6620515414	-1.3605889956	 0.121672
+H	-0.9276597394	 3.2590369215	-2.4185938716	 0.124909
+H	-0.8202928526	 0.2278429331	-1.9033620638	 0.115715
+H	 0.5709454825	 1.3309471935	-1.8427995584	 0.127687
+H	 0.9831677269	 0.5713803966	 0.5886723028	 0.085821
+H	 0.0678911303	 2.7103845311	 2.1837907787	 0.111078
+H	-0.9838253779	 4.0398269568	 1.6706368732	 0.10985
+H	-2.4967644886	 1.9300652977	 2.4301762227	 0.112903
+H	-2.8972167661	 0.8247357941	 0.0746314355	 0.111931
+19
+0 1696	2.0665727	1.8477702	1.3072271	1.7775	76.72	-0.25	0.01214	0.26214	1055.4697	0.156339	-422.602138	-422.593425	-422.59248	-422.63524	32.697
+C	-2.5150742729	 1.7739363832	-0.6594898678	-0.430062
+C	-1.2161752336	 1.8801613285	 0.1357386154	 0.37437
+C	-1.4004379522	 2.5204439996	 1.5396337647	-0.262958
+C	-0.2635925972	 3.5576910094	 1.7061204783	-0.251325
+C	 0.3136885389	 3.6685441835	 0.3201505753	-0.046039
+C	-0.1777555368	 2.7588649129	-0.5171755368	-0.113786
+O	-0.7620108779	 0.4713214946	 0.1770355648	-0.261727
+C	 0.2910463433	 0.0980490006	 0.905358012	 0.181785
+O	 0.9629222098	 0.7714823049	 1.6397268025	-0.313255
+H	-3.2442405425	 1.1573150828	-0.1251218424	 0.123855
+H	-2.9400185857	 2.7697914018	-0.8099551824	 0.122659
+H	-2.3334909462	 1.3198131133	-1.6376879411	 0.123334
+H	-2.3738079702	 3.0194313423	 1.562812396	 0.101706
+H	-1.4050202537	 1.7663224857	 2.3269978395	 0.119828
+H	-0.633997557	 4.5189062868	 2.0802533711	 0.098988
+H	 0.5040294088	 3.2101708973	 2.4056577319	 0.136879
+H	 1.072033848	 4.4006078368	 0.0631107123	 0.100082
+H	 0.1047511039	 2.6206910655	-1.5548913965	 0.094585
+H	 0.4576136532	-0.9789766298	 0.7321859034	 0.101083
+19
+0 1697	3.2441173	1.0439658	0.9702723	3.6835	77.42	-0.23926	-0.01676	0.2225	1284.2323	0.155399	-422.583732	-422.574454	-422.57351	-422.618915	33.605
+O	-0.2403616115	 2.7254942037	 0.1887323749	-0.4697
+C	-1.1124772584	 1.9336516299	-0.6376062539	 0.335544
+C	-0.2117306093	 0.8161120512	-1.1922924358	-0.305617
+C	 0.4210476257	-0.0317758171	-0.1084566141	 0.151155
+O	 0.349958701	-1.2348564962	-0.0634571741	-0.251342
+C	-1.7830972979	 2.7779966775	-1.761623489	-0.266565
+C	-3.2359210783	 3.0512731799	-1.2985818913	-0.270072
+C	-3.4276418529	 2.0715151938	-0.1664941937	-0.070341
+C	-2.3004174323	 1.4448102377	 0.1665695981	-0.127029
+H	-0.7961596726	 3.2890050387	 0.7375309288	 0.277345
+H	-0.7703917876	 0.163309711	-1.8668806338	 0.118257
+H	 0.6009588656	 1.2958433393	-1.7558126723	 0.125672
+H	 0.9718265125	 0.5440371543	 0.6636949455	 0.095666
+H	-1.2016135152	 3.6858211376	-1.9374378571	 0.110645
+H	-1.793405305	 2.2081686042	-2.6951940238	 0.108279
+H	-3.3855009071	 4.0832003455	-0.9538725553	 0.110625
+H	-3.9624055187	 2.8970541136	-2.1041759774	 0.114595
+H	-4.3882748304	 1.9218870737	 0.3152984077	 0.103403
+H	-2.1913745377	 0.7100136718	 0.9568576569	 0.10948
+19
+0 1698	3.6934046	1.1788585	1.1121141	2.4868	76.	-0.25079	0.01532	0.26611	1156.4597	0.156484	-422.546888	-422.538433	-422.537489	-422.580037	32.296
+O	 4.2933192581	-1.9041613867	-0.5854183048	-0.478244
+C	 3.2437974525	-0.9446102992	-0.6375001755	 0.361258
+C	 3.7491602708	 0.3598815212	-1.3230723726	-0.299739
+C	 4.1967607275	 1.2072019913	-0.1559732772	-0.081828
+C	 3.7179589605	 0.7470633104	 1.000820082	-0.076704
+C	 2.869851693	-0.4877863183	 0.8042805613	-0.306873
+C	 2.0824470762	-1.5785404757	-1.3727383663	 0.051756
+C	 1.9776895706	-3.0205868754	-1.6187369767	-0.177819
+O	 2.3448410513	-2.1162161015	-2.6661525211	-0.246316
+H	 5.0580437696	-1.4694713729	-0.1926529412	 0.281761
+H	 4.5360487321	 0.1216107333	-2.0454007127	 0.12098
+H	 2.947789805	 0.8590514836	-1.8848190148	 0.113084
+H	 4.8043833318	 2.097558399	-0.2736407199	 0.096033
+H	 3.8756863164	 1.202448122	 1.9721255221	 0.096105
+H	 3.0748188943	-1.2931788692	 1.5170003887	 0.113483
+H	 1.8014993024	-0.2447450291	 0.894212321	 0.106476
+H	 1.1614642654	-0.9952933516	-1.3140302605	 0.087257
+H	 2.7756168411	-3.6715089315	-1.2738614487	 0.132996
+H	 0.9936231015	-3.4767253897	-1.7204084731	 0.106333
+19
+0 1699	2.8285665	1.175244	1.0397067	2.2808	76.06	-0.2444	0.02476	0.26916	1223.1673	0.154098	-422.486025	-422.476483	-422.475539	-422.520698	34.786
+C	-1.0193173979	 1.6704037716	-2.3271345238	-0.466227
+C	-2.0586255372	 1.832303608	-1.2249842013	 0.368495
+C	-3.1585227021	 2.8649290346	-1.5433457312	-0.114436
+O	-2.530558271	 3.8482246312	-0.6972010488	-0.276732
+C	-1.664312413	 2.8490615695	-0.1173687602	-0.114121
+O	-2.6400506696	 0.6137155686	-0.7949007876	-0.288369
+C	-1.7664643191	-0.4555060095	-0.4773894672	-0.229376
+C	-0.7997526934	-0.1681703293	 0.5863486174	 0.310905
+C	 0.0071421516	 0.059361057	 1.4480034135	-0.466672
+H	-1.4296957068	 1.100052052	-3.1671813391	 0.123216
+H	-0.7250205839	 2.6580572961	-2.6929577705	 0.135434
+H	-0.1154755124	 1.1699647884	-1.9666913964	 0.129238
+H	-3.2477839324	 3.2023514921	-2.5820321496	 0.099688
+H	-4.1404697955	 2.5532897737	-1.1652948121	 0.105651
+H	-0.620955649	 3.1790577414	-0.0771708151	 0.100386
+H	-1.9973264395	 2.5394916227	 0.8796855156	 0.104573
+H	-2.4234388832	-1.2734488684	-0.1636115489	 0.144212
+H	-1.2240266354	-0.8049398405	-1.3677784477	 0.127194
+H	 0.7143929999	 0.2571411108	 2.2156306832	 0.206942
+19
+0 1700	3.599694	0.8168036	0.760739	1.8287	77.38	-0.25076	0.03963	0.29039	1523.0234	0.154123	-422.501548	-422.491658	-422.490714	-422.537044	35.431
+O	-1.8430395576	 1.3019263087	 2.4334496088	-0.478742
+C	-1.1110830581	 1.475056303	 1.2382850331	 0.34409
+C	-1.9915203673	 1.4183963501	-0.0102552072	-0.231731
+C	-2.7183628218	 0.0687196681	-0.1887262984	-0.390726
+C	-3.4844399722	 0.0000592539	-1.4259912483	 0.290459
+C	-4.1075806323	-0.030574825	-2.4530058407	-0.422865
+C	 0.238060461	 0.7083408465	 1.1310381773	-0.12173
+O	 0.9622142229	 1.943665716	 0.9764074644	-0.271462
+C	-0.2061161766	 2.7208399282	 1.3116026508	-0.112822
+H	-2.2454800245	 0.4272820282	 2.4312316086	 0.283964
+H	-2.7342917249	 2.221721602	 0.0432311226	 0.119592
+H	-1.3690887144	 1.609915452	-0.8905463252	 0.123945
+H	-1.9883086631	-0.7522313193	-0.1693930773	 0.1338
+H	-3.3983824736	-0.0988037872	 0.65731947	 0.126019
+H	-4.6613621203	-0.069150777	-3.3580723992	 0.197426
+H	 0.5029839868	 0.1842128148	 2.0588916567	 0.098439
+H	 0.380510677	 0.0395415405	 0.2736250618	 0.098389
+H	-0.1544414747	 3.1398362729	 2.323739837	 0.109897
+H	-0.3946599963	 3.5191304934	 0.5850947353	 0.104059
+19
+0 1701	2.9037313	1.1100383	1.093859	2.18	75.86	-0.24502	-0.02989	0.21513	1207.1163	0.155109	-422.606618	-422.597453	-422.596509	-422.641071	33.454
+C	-1.2218100503	-1.1138915985	 2.5157910612	-0.447689
+C	-1.9218998796	-0.8931223282	 1.1634637626	 0.175766
+C	-2.2432913694	 0.6000550596	 0.8968415889	-0.25199
+C	-0.9553833146	 1.2024265952	 0.3182068486	-0.332301
+C	-0.2197845277	 0.0318726603	-0.3402169846	 0.407262
+O	 0.7782811265	 0.1021461072	-1.0062764802	-0.305182
+C	-0.9714822245	-1.2663826496	-0.0073838333	-0.362909
+C	-3.1589163476	-1.7732378849	 1.1001315548	 0.12406
+O	-4.2414526842	-1.4259357656	 0.7032974312	-0.253875
+H	-1.0030629181	-2.1750465691	 2.6778250747	 0.12552
+H	-0.2708897909	-0.5736633024	 2.5606030286	 0.12978
+H	-1.8450303692	-0.7648889859	 3.345412753	 0.129757
+H	-3.0620808055	 0.6540404688	 0.1740732613	 0.129971
+H	-2.5841796263	 1.1060587352	 1.8035232222	 0.108028
+H	-1.114344959	 2.0081323966	-0.4030668991	 0.13608
+H	-0.2987055786	 1.6079375479	 1.0977220476	 0.135406
+H	-1.5401910594	-1.5432802824	-0.9053984209	 0.142894
+H	-0.2773966707	-2.0827975565	 0.2045075526	 0.131861
+H	-2.9876165909	-2.8211745277	 1.4416720309	 0.077561
+19
+0 1702	2.4697724	1.3384588	1.1497018	1.2768	76.05	-0.2452	-0.09275	0.15245	1160.4855	0.154635	-422.566809	-422.557311	-422.556367	-422.60143	33.984
+C	-2.0995200058	 2.0029242491	-1.1016520202	-0.473008
+C	-0.9556576579	 2.1998289881	-0.0952949858	 0.248423
+C	-1.4297210127	 2.0847728516	 1.3984078767	-0.258018
+C	-1.4210697728	 3.6346939419	 1.4849356944	-0.213931
+C	-0.6047831229	 3.6928735424	 0.1652827411	-0.265802
+C	 0.2166538983	 1.3169455666	-0.4463502308	 0.224408
+O	 1.3092280443	 1.7149048522	-0.7844990269	-0.287269
+C	 0.0471783525	-0.2104338145	-0.3373178179	 0.092723
+O	-0.9517830705	-0.7655853625	 0.0379813765	-0.224722
+H	-2.4541252666	 0.9697874928	-1.1027677226	 0.14535
+H	-2.9407516255	 2.651490475	-0.8371691662	 0.124614
+H	-1.7807373144	 2.2693472827	-2.1152687809	 0.124362
+H	-2.37766654	 1.5672681943	 1.5563866859	 0.114886
+H	-0.675821881	 1.6265400817	 2.0444767834	 0.105676
+H	-2.4211768599	 4.0625870323	 1.3810990703	 0.107246
+H	-0.9537231268	 4.0709057267	 2.3700328775	 0.104776
+H	-0.9338139728	 4.4035701539	-0.5966036778	 0.100756
+H	 0.4663932046	 3.8287831342	 0.3265276671	 0.11989
+H	 0.9714460299	-0.7513148586	-0.6347117838	 0.109641
+19
+0 1703	2.2755992	1.4372145	1.393602	3.417	75.6	-0.24864	-0.02487	0.22377	1079.2373	0.154516	-422.536617	-422.527496	-422.526552	-422.5706	33.498
+C	-0.2022374541	-0.1425301684	 0.1073976529	-0.47939
+C	 1.3158345746	-0.0166799728	 0.0053642916	 0.11988
+C	 1.9763664934	 0.0475559746	-1.4024649641	-0.270629
+C	 2.8533581417	 1.2506394463	-0.942090183	-0.318028
+C	 1.9452820284	 1.3781291342	 0.2777249233	 0.418926
+C	 1.306828136	 2.5661565762	 0.8463965457	-0.265026
+O	 2.3368403102	 1.8553879096	 1.5515735717	-0.271752
+C	 1.9832630826	-1.0392728699	 0.9116598363	 0.140309
+O	 2.87196286	-1.7825944072	 0.5836664527	-0.252494
+H	-0.5411173663	-0.0656884237	 1.1470515614	 0.126933
+H	-0.6943430199	 0.6470637598	-0.4676990612	 0.12469
+H	-0.5433895111	-1.1075115225	-0.2830309342	 0.131269
+H	 2.5161423711	-0.8548095617	-1.6888427562	 0.129027
+H	 1.2581083339	 0.3161022675	-2.1798779288	 0.101946
+H	 3.862520767	 0.9409571856	-0.6584428934	 0.132614
+H	 2.9169364764	 2.1156878703	-1.6052998382	 0.10807
+H	 1.5905985967	 3.5520753119	 0.4798785665	 0.119772
+H	 0.3125623072	 2.5023438906	 1.2859556126	 0.11729
+H	 1.5834460222	-1.0475325505	 1.9499469244	 0.086594
+19
+0 1704	2.3247896	1.4002325	1.3708695	2.9554	75.86	-0.23495	-0.02981	0.20514	1091.6674	0.154257	-422.528824	-422.519613	-422.518669	-422.563079	33.662
+C	-0.1665874503	 0.0094416696	 0.0989087794	-0.472904
+C	 1.3587605251	-0.0345897074	 0.1084316229	 0.058743
+C	 2.1224080552	 1.1936649906	-0.4276703014	-0.11643
+O	 2.765127459	 0.4052229354	-1.4591866168	-0.31008
+C	 2.0408395423	-0.756460868	-1.0757561089	 0.443762
+C	 2.6322100534	-2.1222505152	-1.2034829091	-0.340623
+C	 1.4686170878	-1.6930517775	-2.0892734243	-0.339921
+C	 1.8666037986	-0.5460614768	 1.4418341201	 0.129293
+O	 2.6835307525	 0.0013866297	 2.1353338021	-0.248727
+H	-0.5419664444	 0.7466860422	 0.8166516419	 0.131941
+H	-0.5359843874	 0.2772312784	-0.8944772469	 0.136502
+H	-0.5941471631	-0.9635870796	 0.3669671307	 0.123583
+H	 1.4886446158	 1.9798454979	-0.8534212799	 0.101059
+H	 2.8448641251	 1.6219965162	 0.2717692144	 0.132061
+H	 3.615732602	-2.1783006319	-1.6573941398	 0.132731
+H	 2.44864896	-2.8612649424	-0.4307133379	 0.117919
+H	 1.6843961623	-1.4709024575	-3.128901746	 0.130098
+H	 0.4933690391	-2.1346290182	-1.9105117575	 0.115632
+H	 1.4126821869	-1.5166325355	 1.7515439667	 0.075361
+19
+0 1705	2.1556281	1.5953686	1.3162486	2.5297	75.44	-0.24	-0.03018	0.20982	1079.4249	0.154147	-422.533069	-422.52378	-422.522835	-422.567381	33.75
+C	-0.0808505168	-0.1148569965	-0.0129351824	-0.445138
+C	 1.4286150822	 0.0335857414	 0.0240576101	 0.259079
+O	 1.864809683	 1.3622370252	 0.4063287958	-0.333129
+C	 2.5925448856	 1.5589019555	-0.8280236547	-0.143715
+C	 2.1801544834	 0.1781113239	-1.3191031112	 0.249299
+C	 1.7341087046	-0.2479985285	-2.6824108746	-0.320882
+C	 2.9811151945	-0.8425438876	-2.0694600265	-0.330669
+C	 2.0895366125	-1.0103480487	 0.913792782	 0.125131
+O	 1.7569582273	-2.1672354058	 0.9582063808	-0.259541
+H	-0.5040969997	 0.1330861407	 0.9653319602	 0.132156
+H	-0.5163009931	 0.5511668248	-0.7613518672	 0.12131
+H	-0.344810303	-1.1503085337	-0.2447982819	 0.140302
+H	 2.20303687	 2.410821742	-1.3997763676	 0.107546
+H	 3.6658236228	 1.704833795	-0.6507242704	 0.107072
+H	 0.8538645831	-0.8773905665	-2.7605257702	 0.126573
+H	 1.8474767013	 0.4648517522	-3.4934277418	 0.118798
+H	 2.9372232836	-1.8718946453	-1.7285610252	 0.137367
+H	 3.9458242122	-0.5392402663	-2.4637198313	 0.118925
+H	 2.9458306566	-0.6109456719	 1.502249536	 0.089515
+19
+0 1706	2.379113	1.4617455	1.2823366	2.2865	76.47	-0.25959	-0.03442	0.22516999999999998	1092.7647	0.155486	-422.54646	-422.537689	-422.536745	-422.579803	33.304
+O	 1.0043410464	 2.1626406937	-0.265226209	-0.476559
+C	 2.0493870575	 1.3312794377	-0.654102777	 0.263461
+C	 2.1188797381	 0.9060145703	-2.1607996013	-0.282844
+C	 3.639599962	 1.2332791821	-2.1779751311	-0.318404
+C	 3.4479045261	 1.9751854667	-0.852055382	 0.312209
+C	 4.4357827453	 2.3922623879	 0.1992401807	-0.345653
+C	 3.6911645224	 3.4321611519	-0.6033211682	-0.307241
+C	 2.1318863969	 0.141258932	 0.2707114624	 0.12539
+O	 1.3909025235	 0.0107396495	 1.2169797887	-0.288122
+H	 0.6115414828	 1.745250072	 0.5191698464	 0.290928
+H	 1.8114972544	-0.1118618364	-2.4139529726	 0.103931
+H	 1.5307146575	 1.6150825333	-2.7458408217	 0.130052
+H	 4.2663746219	 0.3404412001	-2.0869328876	 0.104728
+H	 4.0013813796	 1.8239610654	-3.0228799094	 0.109371
+H	 4.1617336392	 2.2622116476	 1.2420037176	 0.119217
+H	 5.490694986	 2.2398720695	-0.0060902233	 0.114866
+H	 2.8957697523	 3.9836279882	-0.1143763424	 0.134044
+H	 4.2393598684	 3.9875895795	-1.3578019464	 0.112755
+H	 2.9177836797	-0.6059545909	 0.0406520662	 0.09787
+19
+0 1707	2.7037575	1.2889836	1.1375603	1.3837	75.54	-0.24197	-0.02654	0.21542999999999998	1159.5859	0.15501	-422.540576	-422.531409	-422.530465	-422.575377	33.211
+C	-0.4725889689	 1.7926682611	 0.8165096618	-0.468647
+C	-0.9971078778	 0.7653239916	-0.192717801	 0.180102
+C	-2.2607377559	-0.0282668172	 0.303968535	-0.285953
+C	-1.4020588452	-1.305779726	 0.5458328546	-0.345951
+C	-0.2205577417	-0.5771695011	-0.1084289669	 0.368743
+O	 0.8721155893	-0.9070426249	-0.4674009519	-0.298015
+C	-1.1038254757	 1.3073048606	-1.602813992	 0.05498
+C	-0.2336896556	 2.3486126231	-2.1609980432	-0.184241
+O	-1.5783661894	 2.646498245	-1.7719114123	-0.24358
+H	-0.5390283667	 1.4050789398	 1.8372991818	 0.116898
+H	 0.5762454916	 2.0349468637	 0.6231696934	 0.133391
+H	-1.0633235866	 2.7104006539	 0.7524741315	 0.145111
+H	-2.7427152759	 0.390915604	 1.188069464	 0.112048
+H	-3.0146965262	-0.1596097377	-0.4750865719	 0.114342
+H	-1.217295835	-1.5443174307	 1.5980923627	 0.136279
+H	-1.7129513937	-2.2243279068	 0.0407864339	 0.133731
+H	-1.5413562017	 0.6031905544	-2.3135855465	 0.091416
+H	 0.5401436586	 2.8040353632	-1.5481018316	 0.11984
+H	-0.0435238235	 2.363651614	-3.2329815714	 0.119506
+19
+0 1708	2.2631062	1.5065006	1.376986	3.8729	74.14	-0.26896	0.01076	0.27971999999999997	1074.0449	0.156523	-422.572692	-422.563852	-422.562907	-422.606337	32.559
+C	-1.0180799055	 1.9054763244	-1.2944435542	-0.451304
+C	-1.0548033912	 1.0400137598	-0.0322240561	 0.087069
+C	-2.0607464622	-0.1393334025	-0.0610946472	-0.115721
+O	-0.9536217076	-1.1001124313	-0.0915343397	-0.247959
+C	-0.0207478961	-0.0998511911	-0.0522667958	 0.445053
+O	 1.1649783305	-0.2096723809	-0.0434817414	-0.34047
+C	-1.056110376	 1.8824626947	 1.2275776072	-0.042542
+C	 0.2349386263	 2.3662453196	 1.8398258108	-0.271161
+C	-0.6042890907	 1.340406891	 2.5613419045	-0.293083
+H	-1.0335301082	 1.2963639286	-2.203462551	 0.126238
+H	-1.8807752895	 2.5796926016	-1.319793336	 0.122173
+H	-0.1101997304	 2.5144476029	-1.3066596987	 0.143627
+H	-2.6602996075	-0.27684155	 0.8405265499	 0.125767
+H	-2.6751610481	-0.2347229106	-0.958958388	 0.120468
+H	-1.8881300534	 2.5827219491	 1.2600595896	 0.087595
+H	 1.1591680607	 2.0186198528	 1.3923878289	 0.145923
+H	 0.2680955221	 3.3771754249	 2.2298215183	 0.112488
+H	-0.2233684865	 0.3256015095	 2.607369112	 0.132537
+H	-1.1541821167	 1.6464885976	 3.444194297	 0.113303
+19
+0 1709	2.4622449	1.3721707	1.3023076	1.1563	75.6	-0.24627	-0.02727	0.219	1109.8207	0.154848	-422.542883	-422.533791	-422.532847	-422.576845	33.387
+C	-1.0619908437	 1.9140444971	-1.2669182686	-0.431757
+C	-1.0177683904	 1.0251402368	-0.031284309	 0.245845
+O	-2.0341669588	-0.025649075	-0.0782980747	-0.323605
+C	-1.077591505	-1.1043589134	-0.0761060299	-0.198513
+C	 0.0597878059	-0.0796037415	-0.0546468013	 0.325301
+O	 1.2519518654	-0.1095430115	-0.0632308479	-0.285311
+C	-1.0747299383	 1.8137981377	 1.2609482913	-0.013973
+C	-2.40932816	 2.2247606194	 1.8310118932	-0.271169
+C	-1.5707359212	 1.1898375543	 2.5386796379	-0.278991
+H	-1.0224193446	 1.3184402087	-2.1829565837	 0.122653
+H	-1.9865237513	 2.4987618198	-1.2698120842	 0.134788
+H	-0.2131419637	 2.6045956729	-1.2639410493	 0.133041
+H	-1.1469529932	-1.7418526116	 0.814655568	 0.131277
+H	-1.1349010072	-1.7296802487	-0.9757694335	 0.133373
+H	-0.2613690109	 2.5280734882	 1.3513256473	 0.0983
+H	-2.4984726215	 3.2141921141	 2.2650225052	 0.113756
+H	-3.2965508946	 1.8677635853	 1.3204513313	 0.129488
+H	-1.0746672105	 1.461611479	 3.4634362858	 0.113564
+H	-1.9260221464	 0.1667666884	 2.4952703721	 0.121931
+19
+0 1710	2.7131204	1.3085291	1.1842184	1.9879	76.04	-0.24173	-0.02839	0.21334	1144.1957	0.155346	-422.549798	-422.540721	-422.539776	-422.583803	33.744
+O	-1.2714148114	 1.9444216837	 1.1913995498	-0.483314
+C	-1.1623445046	 1.0375201157	 0.1205489591	 0.292066
+C	-2.1919919236	-0.1485619606	 0.0727535919	-0.281469
+C	-1.0248762959	-1.1628322171	-0.156748007	-0.341219
+C	-0.0926148253	-0.0523475296	 0.3351633921	 0.339552
+O	 0.9391135054	-0.0210873413	 0.946496193	-0.314469
+C	-1.0456628422	 1.7623283013	-1.2098933387	-0.017873
+C	-0.2553808231	 3.0387446514	-1.3159542711	-0.269259
+C	-1.7611652763	 3.0745617244	-1.4108179394	-0.274855
+H	-0.4700549433	 1.8483378902	 1.721696082	 0.297085
+H	-2.6668339073	-0.2815368998	 1.0460712716	 0.121919
+H	-2.9507392947	-0.0866904051	-0.7078706909	 0.11261
+H	-1.0103221088	-2.0887865771	 0.4210979435	 0.133017
+H	-0.8690972187	-1.4015036823	-1.2131632159	 0.13473
+H	-1.0098828174	 1.0974490323	-2.0687845826	 0.081284
+H	 0.1846664968	 3.4264755793	-0.4048057254	 0.118316
+H	 0.3312538771	 3.2050305624	-2.2123281368	 0.110213
+H	-2.2954059136	 3.4808369529	-0.5604364839	 0.132622
+H	-2.2195555831	 3.2620352692	-2.3752710515	 0.109046
+19
+0 1711	2.0319854	1.4766725	1.3905378	4.1791	76.56	-0.2388	-0.03427	0.20453000000000002	1095.7994	0.154152	-422.56851	-422.559031	-422.558087	-422.603012	33.961
+C	 5.2710404599	 0.3936959133	 1.2855840476	-0.481204
+C	 4.0355301848	-0.1174016209	 0.554063588	 0.218285
+C	 4.1103343698	-0.2627120411	-1.0130109184	-0.264641
+C	 2.6860909598	 0.3421021705	-1.1079515794	-0.253921
+C	 2.8375947459	 0.8714557448	 0.3385477644	-0.087842
+C	 1.6758948812	 0.8151706427	 1.3099477497	 0.140371
+O	 1.7470643234	 1.2355178228	 2.4376288276	-0.269405
+C	 3.5899024192	-1.4503231909	 1.1046093263	 0.125008
+O	 2.4480609859	-1.7627969701	 1.3362481926	-0.253868
+H	 5.0251975702	 0.6654806056	 2.3171842214	 0.148817
+H	 6.0635255103	-0.3631922616	 1.3093529922	 0.122056
+H	 5.6716681918	 1.2814591552	 0.7873076613	 0.124377
+H	 4.8796905354	 0.3991707077	-1.4198051747	 0.11264
+H	 4.2657005681	-1.2668100551	-1.4171246673	 0.110796
+H	 2.5114274911	 1.0772788973	-1.8952580422	 0.107777
+H	 1.9158686197	-0.4317521388	-1.1691943002	 0.12543
+H	 3.2280386413	 1.8940745767	 0.3567167268	 0.10375
+H	 0.7330769451	 0.3887894825	 0.9049265083	 0.081172
+H	 4.4194391972	-2.1805419508	 1.2466791958	 0.090404
+19
+0 1712	2.9588609	1.3454042	1.2100796	3.1459	74.7	-0.24611	-0.02197	0.22414	1097.1378	0.156357	-422.569651	-422.561125	-422.560181	-422.602729	32.035
+C	 0.0535959409	-0.2772144949	-0.0721610181	-0.442377
+C	 1.5387853154	 0.0845049825	 0.0152589745	 0.169462
+C	 2.2493093598	-0.5472712035	 1.2573736191	-0.272052
+C	 2.8037477116	-1.91583652	 0.7914588708	-0.248475
+C	 3.0471252239	-1.7214295064	-0.6886966463	 0.053802
+O	 3.734984147	-0.5001498563	-0.9998443575	-0.266439
+C	 2.3103964865	-0.5392544855	-1.1515208067	 0.007969
+C	 1.7426719238	 1.590204211	 0.0238685745	 0.122863
+O	 0.8586329665	 2.4084434168	 0.0333683923	-0.254769
+H	-0.5008194763	 0.1934072711	 0.7431769465	 0.135321
+H	-0.3850159915	 0.0774032962	-1.0094814074	 0.127655
+H	-0.0890572517	-1.3605802147	-0.0141578872	 0.112057
+H	 3.0784171483	 0.0912570819	 1.5735675768	 0.119677
+H	 1.5616172263	-0.633065331	 2.1016536637	 0.112158
+H	 3.7086569715	-2.2012306668	 1.3360596741	 0.116412
+H	 2.070150736	-2.7186286154	 0.9300527731	 0.111041
+H	 3.2752004061	-2.5605149484	-1.3407967921	 0.099781
+H	 1.9409206529	-0.4218406184	-2.1676582185	 0.102247
+H	 2.812903213	 1.8946424718	 0.0228110684	 0.093665
+19
+0 1713	2.6053258	1.5174837	1.281436	3.2853	74.49	-0.23632	-0.02631	0.21001	1061.7244	0.156214	-422.553857	-422.545351	-422.544407	-422.586963	32.092
+C	-0.1523745348	 0.0440811456	-0.1426124831	-0.448731
+C	 1.3810882324	 0.1098486154	-0.0311396414	 0.161722
+C	 1.9397237453	-0.6985269928	 1.1632206971	-0.134152
+O	 3.1070850281	-0.0209118035	 1.6259081727	-0.257051
+C	 3.0097364972	 1.3281485379	 1.260110971	 0.122182
+C	 1.7591063452	 2.0864952661	 1.6209087007	-0.350028
+C	 1.9391330964	 1.5105040811	 0.2241616181	-0.112341
+C	 1.9536982515	-0.3888020925	-1.3578061078	 0.14015
+O	 2.5069104413	-1.4421335915	-1.5299867511	-0.248463
+H	-0.6156409473	 0.5209057587	 0.7257622689	 0.128981
+H	-0.5082619748	 0.564403397	-1.0384277794	 0.122921
+H	-0.5000566346	-0.9927399632	-0.1967369789	 0.132783
+H	 1.1888418041	-0.7631879377	 1.9626001266	 0.091265
+H	 2.2278426229	-1.709349809	 0.8662640028	 0.136505
+H	 3.9764146425	 1.8163592673	 1.2346128668	 0.106556
+H	 1.0451525649	 1.6312467605	 2.298989583	 0.120499
+H	 1.8391392073	 3.1640386427	 1.7164138281	 0.118685
+H	 2.0488789579	 2.1863124881	-0.6174186146	 0.090238
+H	 1.7890195545	 0.3156494498	-2.2074513995	 0.078279
+19
+0 1714	2.5126863	1.4648259	1.4122054	1.8041	74.75	-0.23948	-0.02785	0.21162999999999998	1049.2726	0.156018	-422.564749	-422.556156	-422.555212	-422.598063	32.216
+C	-0.030636691	-0.2297926993	-0.1212155568	-0.437258
+C	 1.4454809687	 0.0769262996	 0.1413103367	 0.260282
+O	 1.7959901913	-0.5029533091	 1.403669199	-0.298776
+C	 2.8903494771	 0.231199415	 1.9635235886	-0.10984
+C	 2.7484351782	 1.6468699356	 1.4372350339	-0.048879
+C	 1.3686461634	 2.2467307783	 1.5163981289	-0.31449
+C	 1.8116928111	 1.548223585	 0.2573409946	-0.06152
+C	 2.2699256302	-0.601427478	-0.9609091014	 0.12849
+O	 2.6151394481	-0.0778395679	-1.9875464617	-0.25537
+H	-0.6446166467	 0.2127136808	 0.6668812847	 0.131195
+H	-0.3359110755	 0.1819205452	-1.0870324022	 0.134343
+H	-0.2061984818	-1.3098552522	-0.129204153	 0.128752
+H	 2.8118101235	 0.1388963993	 3.0518013369	 0.112586
+H	 3.8557811532	-0.1958931757	 1.649754979	 0.098876
+H	 3.6216929237	 2.2875146205	 1.4200489003	 0.095189
+H	 0.6332800743	 1.7620917805	 2.1512318171	 0.121501
+H	 1.2914127698	 3.3275059581	 1.4795699347	 0.11568
+H	 1.976889701	 2.096959492	-0.6602206668	 0.110554
+H	 2.5116965813	-1.6636608378	-0.7251931024	 0.088687
+19
+0 1715	3.0463881	1.3418107	1.198413	2.4558	75.43	-0.26135	-0.03337	0.22798000000000002	1097.6868	0.157265	-422.577401	-422.569218	-422.568274	-422.609954	31.902
+O	 1.6386276242	 2.3204526288	-1.421032247	-0.483594
+C	 2.4641765943	 1.6634330475	-0.4875540847	 0.310746
+C	 3.7756656839	 1.1602053221	-1.1599808899	-0.279152
+C	 4.7346881776	 2.3712512711	-1.1064148581	-0.221786
+C	 4.341932763	 3.1223621258	 0.1565494361	-0.026472
+C	 4.1505351297	 2.3141408184	 1.4125322615	-0.31202
+C	 2.9537021293	 2.6695166833	 0.556906311	-0.063146
+C	 1.6928905704	 0.5246811562	 0.1464457089	 0.114075
+O	 0.5519995725	 0.2692521543	-0.1587758276	-0.276743
+H	 0.7979070751	 1.8350933824	-1.4082490296	 0.289737
+H	 4.192059822	 0.3091255751	-0.6101417715	 0.100514
+H	 3.5604572398	 0.8242652876	-2.1756107347	 0.119702
+H	 5.7848526239	 2.0613371971	-1.1179115867	 0.099546
+H	 4.5692461699	 3.0164008594	-1.9753469632	 0.119486
+H	 4.6269270787	 4.1637425028	 0.2525212874	 0.089688
+H	 4.508692792	 1.2905074255	 1.449540394	 0.110358
+H	 4.2349865957	 2.8374496003	 2.3584980809	 0.117223
+H	 2.2099969669	 3.3569197653	 0.9416629722	 0.097283
+H	 2.233740591	-0.0604463128	 0.9170486809	 0.094558
+19
+0 1716	3.2963807	1.2105377	1.1851175	1.1809	77.04	-0.23637	0.01174	0.24811	1143.3033	0.15587	-422.536739	-422.52809	-422.527146	-422.570281	32.231
+C	 3.5672085594	 0.2625151049	-1.9661129696	-0.442119
+C	 3.5739008742	-0.7831956793	-0.8475082039	 0.315085
+O	 4.8899231384	-1.3553405628	-0.7248799133	-0.3082
+C	 5.4199237644	-1.1388469698	 0.5810001757	-0.131634
+C	 4.348515509	-0.385755389	 1.3175965782	-0.101491
+C	 3.3106642186	-0.183602495	 0.5165897819	-0.117819
+C	 2.6065453183	-1.9396836362	-1.1046678046	 0.073865
+C	 2.0781771654	-2.3132523221	-2.4207598116	-0.18744
+O	 1.2694030229	-1.6001324954	-1.4785187648	-0.242184
+H	 4.1503442925	 1.136166193	-1.665300858	 0.118227
+H	 4.0170026366	-0.1525558754	-2.8718318304	 0.125576
+H	 2.5435282449	 0.577523079	-2.1867804793	 0.133409
+H	 5.6572567209	-2.1044684216	 1.0541269935	 0.106685
+H	 6.3625116601	-0.5730767994	 0.5144229897	 0.106868
+H	 4.4494621394	-0.0670844912	 2.3475052978	 0.108622
+H	 2.3840054679	 0.3232908497	 0.7522622193	 0.117297
+H	 2.6756392279	-2.7197555226	-0.3451376257	 0.091566
+H	 2.3633193141	-1.7521923551	-3.3070558771	 0.117318
+H	 1.7813355151	-3.3455047315	-2.6001242578	 0.116369
+19
+0 1717	3.5543758	1.1660274	1.1093292	2.9759	76.86	-0.24915	0.00596	0.25511	1173.2043	0.156441	-422.545688	-422.536956	-422.536012	-422.579639	32.498
+O	 4.6187758909	-1.1053613959	-1.2132535416	-0.47428
+C	 3.3294945255	-0.576738455	-0.8913129041	 0.34313
+C	 3.0838531349	 0.8308789421	-1.52032803	-0.269159
+C	 3.2288350227	 1.8595611613	-0.3704246443	-0.269228
+C	 3.2008880663	 1.0016716769	 0.8708910508	-0.072106
+C	 3.2203871742	-0.3016878154	 0.5962215063	-0.142721
+C	 2.3053812894	-1.5932768605	-1.3638631859	 0.063652
+C	 2.6296402496	-2.9989196704	-1.6268968277	-0.183846
+O	 2.4235019854	-2.0731207542	-2.6999808297	-0.246496
+H	 5.2688597323	-0.5745768176	-0.7420929616	 0.274759
+H	 3.782225792	 0.9902774464	-2.3438527894	 0.117893
+H	 2.0746890964	 0.8792316557	-1.9390761006	 0.11171
+H	 4.1623172334	 2.435435207	-0.427443656	 0.109188
+H	 2.4213631293	 2.6005872053	-0.375740195	 0.112579
+H	 3.1862378525	 1.4259433027	 1.8697364541	 0.100762
+H	 3.2295265252	-1.1073953004	 1.3221018694	 0.098738
+H	 1.2852416535	-1.3415090586	-1.0676769109	 0.089534
+H	 3.6552778897	-3.333291802	-1.5017136811	 0.130345
+H	 1.8569191369	-3.7583364373	-1.5124101728	 0.105546
+19
+0 1718	3.177857	1.2702333	1.1509301	2.8536	76.66	-0.25054	-0.02433	0.22621	1130.7566	0.155657	-422.574819	-422.565966	-422.565021	-422.608182	33.007
+C	-0.1476930566	-0.1722141091	 0.2463824709	-0.441347
+C	 1.362706376	-0.0948228224	 0.0066322591	 0.266557
+C	 2.1624924353	-0.9009020779	 1.0611910423	-0.280767
+C	 2.1632952694	-2.3680389879	 0.7234624105	-0.074246
+C	 1.8463574876	-2.8105617404	-0.4898625344	-0.060402
+C	 1.4821363837	-1.8741594244	-1.6041467216	-0.123033
+O	 1.739511454	-0.5133701231	-1.3050737925	-0.30232
+C	 1.8460612562	 1.3529629928	 0.0785602654	 0.135045
+O	 1.4233701341	 2.1737883823	 0.8490636402	-0.261622
+H	-0.4019080443	 0.4246447074	 1.1252899162	 0.142742
+H	-0.6846358273	 0.236746137	-0.6142109401	 0.126138
+H	-0.4731049794	-1.2023838192	 0.4107217338	 0.122658
+H	 3.1973252065	-0.5324709794	 1.112368012	 0.116157
+H	 1.729555532	-0.7242664849	 2.0520106139	 0.123044
+H	 2.4390441101	-3.0619178145	 1.512849418	 0.095875
+H	 1.8298958084	-3.8721715249	-0.72029197	 0.095625
+H	 2.0749170237	-2.095609353	-2.4999630094	 0.121998
+H	 0.4244964388	-2.0188833694	-1.8866901162	 0.104805
+H	 2.6665940417	 1.5725864611	-0.6392838681	 0.093093
+19
+0 1719	3.294412	1.2353951	1.1075653	2.1708	77.2	-0.24411	-0.03699	0.20712	1149.4545	0.156857	-422.592212	-422.583666	-422.582722	-422.62525	32.607
+O	 1.0854391882	 0.6120545959	-1.998087352	-0.474483
+C	 2.235365711	 0.7503933974	-1.1933846999	 0.2687
+C	 3.373417874	-0.1375390158	-1.7508220215	-0.234754
+C	 3.7096504841	 0.276625779	-3.1886492611	-0.257425
+C	 3.8924716811	 1.764945861	-3.3129077272	-0.038112
+C	 3.4441223633	 2.6294499552	-2.4054416026	-0.053996
+C	 2.6935430106	 2.2281755559	-1.1625165228	-0.274455
+C	 1.9099152282	 0.2969168474	 0.2170853864	 0.116378
+O	 0.8221575247	-0.1279455468	 0.5234756533	-0.272142
+H	 0.4056058464	 0.2345440636	-1.4175192739	 0.290233
+H	 4.260712898	-0.028890856	-1.1146200662	 0.09888
+H	 3.0636640423	-1.1870505647	-1.7161329506	 0.104972
+H	 4.6151495286	-0.2454051697	-3.5199008418	 0.101568
+H	 2.903433298	-0.0521452757	-3.857217033	 0.132505
+H	 4.4047456192	 2.1306899669	-4.199074443	 0.086649
+H	 3.6060184951	 3.6958339577	-2.5418717638	 0.086808
+H	 3.3181684677	 2.4145221971	-0.2755594117	 0.101459
+H	 1.798002001	 2.8489133007	-1.0430526987	 0.122568
+H	 2.7351892685	 0.3676620111	 0.95601714	 0.09465
+19
+0 1720	4.3715128	0.6936645	0.6677073	1.1508	78.61	-0.26222	0.02601	0.28823	1706.3406	0.152826	-422.484877	-422.474632	-422.473688	-422.521175	35.908
+C	 2.4411598662	-3.5262833337	 0.4403149745	-0.464343
+C	 2.0948734873	-2.2226766984	 1.1179315891	 0.405087
+C	 0.6654042301	-1.7499247066	 0.9535665594	-0.111567
+O	 0.4223647601	-1.5382863648	-0.423828154	-0.250523
+C	-0.9188168193	-1.1721474847	-0.6861870354	-0.20149
+C	-1.1111391735	-0.9750523544	-2.1165064474	 0.279215
+C	-1.2972564139	-0.8063863912	-3.2905879901	-0.410597
+C	 3.1329076484	-1.2281808492	 1.4196910923	-0.216456
+O	 2.5857070578	-2.05390281	 2.4539838657	-0.281993
+H	 3.4914346581	-3.7804525739	 0.6006506919	 0.12402
+H	 1.8261533677	-4.3397104809	 0.8412475494	 0.122394
+H	 2.2478483033	-3.4531429199	-0.6332439693	 0.143912
+H	-0.0255990875	-2.5119085983	 1.3542626744	 0.093093
+H	 0.5119213815	-0.8269575897	 1.5337885304	 0.098025
+H	-1.6089819023	-1.9524071351	-0.3216100417	 0.121039
+H	-1.1780265469	-0.2458496619	-0.1453741387	 0.12092
+H	-1.4557032842	-0.6584058889	-4.3302231408	 0.202043
+H	 4.1681832097	-1.438420943	 1.1557098245	 0.114648
+H	 2.8744387272	-0.1717295454	 1.4771392362	 0.112571
+19
+0 1721	4.4656415	0.7077435	0.6858307	1.7201	79.21	-0.24773	0.02582	0.27355	1680.8937	0.153517	-422.489857	-422.479845	-422.478901	-422.52564	36.108
+O	 2.9660664064	-2.4100456712	-0.1846550302	-0.472512
+C	 2.2000715571	-2.09188937	 0.9425838078	 0.42891
+C	 1.1253496535	-1.0784727408	 0.6534838367	-0.121296
+O	 0.2952344215	-1.6379795733	-0.3552314188	-0.264127
+C	-0.6521675493	-0.7186979937	-0.8640102178	-0.201551
+C	-1.4297573574	-1.3426647269	-1.9260895733	 0.277397
+C	-2.0820358012	-1.8344256476	-2.8060456314	-0.411073
+C	 1.9596696055	-3.1725700398	 1.9693140165	-0.312695
+C	 2.9463505606	-2.0508363782	 2.2365585479	-0.315927
+H	 2.334363154	-2.6708355404	-0.8666596035	 0.289254
+H	 0.5417735686	-0.8474570291	 1.5584797078	 0.089042
+H	 1.579518898	-0.1426210262	 0.2887294469	 0.096731
+H	-1.3267884308	-0.3778552325	-0.0604165157	 0.121092
+H	-0.1453595547	 0.1809354134	-1.2528207103	 0.12254
+H	-2.6572909687	-2.2739860112	-3.5831207037	 0.20282
+H	 1.0218357245	-3.1810785427	 2.5142048716	 0.111832
+H	 2.3703708873	-4.1497022659	 1.7441989011	 0.120036
+H	 2.6887430994	-1.290904277	 2.966706004	 0.111798
+H	 4.0019475657	-2.2903558769	 2.1822436743	 0.127729
+19
+0 1722	1.945222	1.6893001	1.3393844	2.2865	75.68	-0.24543	-0.05024	0.19519	1078.8043	0.155607	-422.608281	-422.599139	-422.598195	-422.642326	33.306
+C	-1.2405650051	 1.8816704804	 1.5039932277	-0.451279
+C	-1.0832770714	 1.1329616581	 0.1702572698	 0.076722
+C	-2.371960561	 0.60952736	-0.4804976875	-0.255387
+C	-1.9426316969	-0.6573452065	-1.2544537545	-0.229063
+C	-0.8694192287	-1.3030367023	-0.3650716601	-0.31522
+C	-0.2089077778	-0.1363397011	 0.3645569162	 0.379831
+O	 0.8186370988	-0.1606029973	 0.9913378335	-0.324289
+C	-0.2923510907	 2.0331699001	-0.7836027737	 0.142894
+O	-0.6400939473	 2.3348400064	-1.8949637527	-0.249289
+H	-1.7793525765	 1.2607525832	 2.225624614	 0.12775
+H	-0.2601434668	 2.1146586263	 1.9281235052	 0.144476
+H	-1.7996493237	 2.8129277435	 1.3708294899	 0.127427
+H	-3.0965685301	 0.3518611806	 0.3002564872	 0.09724
+H	-2.8262822816	 1.3565794517	-1.1342730449	 0.123028
+H	-2.7818426198	-1.3250653145	-1.4608106522	 0.105955
+H	-1.5093504537	-0.3650719032	-2.2157298109	 0.128362
+H	-1.3223240172	-1.9445292077	 0.4033108177	 0.134293
+H	-0.1244747557	-1.9096286032	-0.8857309901	 0.133631
+H	 0.6640138854	 2.4004633856	-0.3525153346	 0.102918
+19
+0 1723	2.7914497	1.2616839	1.2214726	2.9844	78.35	-0.23852	-0.03021	0.20831	1134.4857	0.156259	-422.572441	-422.563616	-422.562672	-422.605875	32.726
+C	-0.0692692512	 0.0691198064	 0.0476104724	-0.438301
+C	 1.4584588519	-0.0211719212	-0.005756979	 0.117719
+C	 2.0176004553	-0.8257652565	 1.1886945375	-0.129759
+O	 3.3996642968	-1.0931339449	 1.0459022333	-0.250361
+C	 3.6878625361	-1.9399890402	-0.0498661585	-0.122831
+C	 2.9322510137	-1.5710859243	-1.2944514591	-0.088074
+C	 1.9298813022	-0.6948252102	-1.2805739748	-0.089124
+C	 2.0842896631	 1.3771301136	 0.0068677885	 0.139375
+O	 1.4839287949	 2.4004822407	-0.1998443566	-0.257886
+H	-0.4019815649	 0.5118017607	 0.9918128825	 0.123232
+H	-0.4409737508	 0.7055229248	-0.7586108355	 0.137619
+H	-0.5193980774	-0.9230930966	-0.0503540281	 0.115061
+H	 1.9107645254	-0.2681303995	 2.1246539863	 0.115962
+H	 1.443464585	-1.7615534364	 1.2830472728	 0.097785
+H	 4.7683966613	-1.8640852361	-0.2176552367	 0.124561
+H	 3.4803823603	-2.9939782608	 0.2117103551	 0.105536
+H	 3.2282776894	-2.072093344	-2.2122773233	 0.10251
+H	 1.4064876796	-0.4267596447	-2.1946536198	 0.102031
+H	 3.1765161993	 1.371478299	 0.2082368229	 0.094947
+19
+0 1724	2.9901718	1.2699257	1.1568462	3.2155	78.52	-0.2424	-0.03321	0.20919	1147.1873	0.155713	-422.575387	-422.566433	-422.565489	-422.609116	33.065
+C	-0.2046607033	-0.138424566	-0.1401532116	-0.418128
+C	 1.3068792768	 0.0297321242	 0.056214519	 0.232565
+O	 1.7707540191	-0.6703331896	 1.2064773365	-0.306296
+C	 1.7608541627	 0.0740420492	 2.4166496849	-0.083273
+C	 2.6890120779	 1.2841255829	 2.3286543029	-0.259496
+C	 2.3923228941	 2.0435237676	 1.0644854435	-0.087938
+C	 1.7293785518	 1.4835847309	 0.0544670836	-0.083986
+C	 2.0783784364	-0.611424781	-1.1104735211	 0.138824
+O	 1.6851319533	-0.6544619297	-2.2451711285	-0.256149
+H	-0.757538667	 0.3867147077	 0.6429414896	 0.116957
+H	-0.5016536566	 0.2620441857	-1.1121533408	 0.138215
+H	-0.465013476	-1.199708401	-0.1096578669	 0.1284
+H	 0.7404448935	 0.407919296	 2.6572086752	 0.097957
+H	 2.077920969	-0.6248312308	 3.1950994273	 0.110298
+H	 2.5453270417	 1.9278808323	 3.2052484073	 0.108854
+H	 3.7389720801	 0.9626144531	 2.3491324473	 0.120923
+H	 2.7045206335	 3.0824292485	 1.0011984625	 0.099693
+H	 1.4807348991	 2.0404062982	-0.8441739085	 0.110764
+H	 3.065977084	-1.0121552582	-0.7966806621	 0.091816
+19
+0 1725	3.2407757	1.1968697	1.0911924	2.6618	78.36	-0.25115	-0.03876	0.21238999999999997	1175.924	0.15707	-422.590853	-422.582318	-422.581374	-422.624039	32.515
+O	 1.3465669299	 2.0619800368	-1.3595722889	-0.475632
+C	 2.3878848502	 1.6884608069	-0.4793110857	 0.263908
+C	 3.6528857633	 1.2628150774	-1.2649224464	-0.23283
+C	 4.4288166335	 2.4886768169	-1.7541532791	-0.220206
+C	 4.9168712421	 3.320318389	-0.5628931764	-0.245601
+C	 3.8173913134	 3.5408249118	 0.4405191626	-0.067196
+C	 2.6899109518	 2.8313778844	 0.4713824945	-0.083189
+C	 1.9260294891	 0.4934504282	 0.3455705856	 0.110298
+O	 0.8403139736	-0.0117796141	 0.1949704865	-0.273232
+H	 0.641124795	 1.4088991655	-1.2212476851	 0.289006
+H	 4.3025802652	 0.6532998538	-0.6212101732	 0.092275
+H	 3.3299852778	 0.63443281	-2.0999128158	 0.111101
+H	 5.2731799376	 2.1794762465	-2.378119324	 0.094233
+H	 3.7653385788	 3.0964841743	-2.3793576305	 0.124472
+H	 5.7681338396	 2.822737992	-0.0732460769	 0.110295
+H	 5.3012203185	 4.2897673187	-0.9018601648	 0.109909
+H	 3.9551191515	 4.3471387643	 1.1576349887	 0.095845
+H	 1.9032244731	 3.0748082999	 1.1810203184	 0.096204
+H	 2.6507849861	 0.1129654279	 1.0934184606	 0.100342
+19
+0 1726	3.0095032	1.2338135	1.1850277	1.9611	76.96	-0.25805	0.03748	0.29553	1142.8462	0.156232	-422.524933	-422.516173	-422.515228	-422.557773	33.753
+C	-0.1277946275	-0.0229813608	-0.0483010792	-0.425969
+C	 1.4031481985	-0.0122411059	 0.1426366502	 0.151125
+C	 1.941958977	-1.3427188638	 0.7336975213	-0.223911
+C	 1.9760449807	-2.4384018658	-0.3331635444	-0.105656
+O	 2.6826327428	-1.9851877686	-1.4788407509	-0.230495
+C	 2.0797047182	-0.8345089266	-2.0024584705	 0.014122
+O	 2.0780138534	 0.2488195422	-1.1058271929	-0.280128
+C	 1.760489374	 1.0975342302	 1.0312720712	 0.320085
+C	 2.028666675	 1.9862242669	 1.7933715379	-0.440933
+H	-0.6230507084	-0.0861197491	 0.9240855049	 0.129803
+H	-0.4394807596	 0.9013398687	-0.5395376807	 0.137747
+H	-0.4592447951	-0.86956064	-0.6541365626	 0.117703
+H	 2.9608550126	-1.1679708585	 1.0890818698	 0.125273
+H	 1.3313397429	-1.6476231543	 1.5893580644	 0.106801
+H	 2.5044028529	-3.3217628089	 0.0344532247	 0.116165
+H	 0.9581930913	-2.7513249134	-0.6189432787	 0.092735
+H	 2.6785518256	-0.5156179631	-2.8578748719	 0.121681
+H	 1.0520099854	-1.0707760076	-2.3333676299	 0.077862
+H	 2.2746928104	 2.7781990984	 2.4569122373	 0.19599
+19
+0 1727	2.9826297	1.2641676	1.1982762	0.3866	77.65	-0.23724	0.03466	0.27190000000000003	1133.676	0.155959	-422.518336	-422.509509	-422.508565	-422.551245	33.904
+C	 0.0057199956	 0.215282955	 0.0130423063	-0.428029
+C	 1.5139774085	-0.094273047	 0.065866252	 0.151176
+C	 2.0379097378	-0.0846053732	 1.5235489628	-0.106069
+O	 1.9883516595	 1.2190459472	 2.0692182657	-0.253996
+C	 2.802445239	 2.1067093197	 1.3157825693	-0.081582
+C	 2.3173819277	 2.1613845424	-0.1262896717	-0.084545
+O	 2.2723504969	 0.8611290485	-0.7001826846	-0.294143
+C	 1.7825979637	-1.4053171691	-0.5261865796	 0.304852
+C	 1.9879725253	-2.5053812632	-0.9627770899	-0.431281
+H	-0.2240896804	 1.1122905949	 0.5918829581	 0.130192
+H	-0.305401366	 0.359997894	-1.0239095317	 0.132096
+H	-0.5615609125	-0.6181074956	 0.4354256603	 0.127369
+H	 1.4175569129	-0.7236509938	 2.1569824038	 0.11693
+H	 3.0692371715	-0.4677212456	 1.5282397655	 0.103116
+H	 2.7307730636	 3.0887317112	 1.7925705225	 0.10925
+H	 3.8521690221	 1.7724889822	 1.3460728068	 0.097447
+H	 1.331284928	 2.6464110361	-0.1680621477	 0.099488
+H	 3.0073193437	 2.7390396072	-0.7492787519	 0.111516
+H	 2.1713570531	-3.472068141	-1.362683076	 0.196212
+19
+0 1728	2.3289933	1.4537494	1.3473668	1.9928	76.61	-0.25016	0.05562	0.30578	1087.3146	0.15651	-422.526882	-422.518107	-422.517163	-422.559785	33.487
+C	-0.003015817	 0.0188253213	 0.0606422442	-0.430615
+C	 1.5370003336	-0.022454466	 0.0684223741	 0.013191
+C	 2.0474873996	-0.6481092524	 1.3913677881	-0.094828
+O	 3.4510783315	-0.5243514549	 1.515377649	-0.232566
+C	 3.8537359858	 0.8174947932	 1.4447544704	 0.017738
+O	 3.5098570992	 1.4238314867	 0.2274711522	-0.232564
+C	 2.1097924025	 1.4171089075	 0.0261309254	-0.094834
+C	 2.0239660598	-0.7936519982	-1.0759663881	 0.378608
+C	 2.3842774283	-1.4335079888	-2.0274263526	-0.508112
+H	-0.3790638528	 0.5938851536	 0.9133490818	 0.116005
+H	-0.3719960724	 0.4816260748	-0.8588570014	 0.131784
+H	-0.4163977181	-0.9920810869	 0.1154433819	 0.131783
+H	 1.5446624161	-0.1415836063	 2.2335015282	 0.08571
+H	 1.8157231034	-1.714568602	 1.4360012481	 0.120737
+H	 3.4049422483	 1.3858547832	 2.2840125357	 0.073309
+H	 4.9426350535	 0.831106492	 1.5150423137	 0.121582
+H	 1.609730513	 2.0145158273	 0.8081998447	 0.08571
+H	 1.9243008852	 1.8847767539	-0.9433646972	 0.120737
+H	 2.7223926004	-1.9956433881	-2.8622586684	 0.196625
+19
+0 1729	2.9741524	1.2875026	1.2206602	1.957	77.26	-0.26213	0.04075	0.30288	1129.5178	0.155617	-422.521746	-422.512917	-422.511973	-422.554633	34.061
+C	 0.0194649821	 0.1768737155	-0.284931622	-0.428663
+C	 1.1905490066	-0.3735555693	 0.5521690865	 0.236454
+O	 0.7430709598	-1.2953536864	 1.5371373433	-0.279215
+C	 0.3326969175	-2.5600692954	 1.0277572351	-0.08218
+C	 1.4445451536	-3.1865547253	 0.1888231526	-0.206652
+C	 1.8721297412	-2.175544815	-0.873031892	-0.082178
+O	 2.2072537442	-0.9296160189	-0.2707656412	-0.279214
+C	 1.8270227111	 0.727761275	 1.2904243351	 0.322854
+C	 2.3134041332	 1.6572117501	 1.8723941783	-0.419817
+H	-0.709644969	 0.6460205921	 0.3787327612	 0.137374
+H	 0.3969668293	 0.9224478443	-0.9876136924	 0.137375
+H	-0.4829403007	-0.6102678645	-0.851084255	 0.1168
+H	 0.0956475154	-3.163789331	 1.9075451977	 0.115086
+H	-0.5890368578	-2.4654996559	 0.4326632054	 0.092515
+H	 2.2984680193	-3.4195245938	 0.8332804437	 0.118196
+H	 1.0997959087	-4.1156039222	-0.2783336691	 0.098632
+H	 2.7747622669	-2.4945977394	-1.4004386729	 0.115085
+H	 1.0766695756	-2.0494502343	-1.6240433083	 0.092514
+H	 2.755972983	 2.4689905244	 2.3951797741	 0.195035
+19
+0 1730	2.3083027	1.409074	1.325847	1.9191	76.68	-0.24537	0.03077	0.27614	1098.0061	0.156307	-422.534365	-422.525432	-422.524488	-422.567441	34.248
+O	-0.9510786404	 0.8203911404	 2.3627131922	-0.459815
+C	-0.7704224462	 1.1243180381	 0.9789519157	 0.175909
+C	-2.1014267051	 0.98757228	 0.2032398533	-0.243069
+C	-2.0063579926	 1.6449910879	-1.1801888713	-0.215511
+C	-1.4908875922	 3.077532426	-1.0421260225	-0.062075
+O	-0.2486819142	 3.1188918796	-0.356243657	-0.24204
+C	-0.3373984033	 2.609115626	 0.9529900473	-0.092822
+C	 0.2653283568	 0.2651549857	 0.3940163658	 0.336925
+C	 1.0937255711	-0.4803719019	-0.057631271	-0.511942
+H	-0.9775986506	-0.138075437	 2.4528726124	 0.284045
+H	-2.3802877322	-0.0684757567	 0.1245789968	 0.096296
+H	-2.8665379483	 1.4864888228	 0.810301408	 0.105736
+H	-1.3187774929	 1.0767102596	-1.8160181085	 0.119218
+H	-2.9858706055	 1.6464126932	-1.6712852197	 0.097668
+H	-1.3116773392	 3.5333857836	-2.0197218224	 0.107604
+H	-2.2342484603	 3.6955567509	-0.5086147315	 0.085555
+H	 0.6475762509	 2.7170640565	 1.4113131317	 0.120623
+H	-1.0703500112	 3.1706930717	 1.5553722898	 0.095986
+H	 1.8380392756	-1.1235781363	-0.458462339	 0.201708
+19
+0 1731	2.3363212	1.3931759	1.2983242	1.713	76.48	-0.25194	0.03014	0.28208	1100.1089	0.156499	-422.536165	-422.527358	-422.526414	-422.569038	34.125
+O	-0.9279953436	 0.7788501318	 2.372725774	-0.460991
+C	-0.7433454076	 1.1281063586	 1.0000456019	 0.198199
+C	-2.0679021993	 0.9937864082	 0.2129747154	-0.244763
+C	-1.9698548213	 1.6634988359	-1.1618932342	-0.084369
+O	-1.5954318712	 3.024736084	-1.0510186075	-0.243139
+C	-0.3305069079	 3.1782738404	-0.4298868679	-0.090864
+C	-0.3217876048	 2.6090815836	 0.9908030742	-0.220233
+C	 0.2975830422	 0.2768016248	 0.4020467824	 0.329064
+C	 1.1295671632	-0.4509429303	-0.0723068488	-0.516917
+H	-1.0602005566	-0.1748139805	 2.4183943123	 0.279475
+H	-2.3371047359	-0.0625812661	 0.100845064	 0.094025
+H	-2.8453942222	 1.4844792814	 0.8073708751	 0.114263
+H	-1.2493759199	 1.1185155043	-1.7936668222	 0.098698
+H	-2.9397860826	 1.6501883571	-1.6669050206	 0.109264
+H	 0.4520460901	 2.6906484363	-1.0340365117	 0.098844
+H	-0.1243715556	 4.2519107543	-0.4131199322	 0.11006
+H	 0.6676881981	 2.7160033886	 1.4444349141	 0.110938
+H	-1.0414240611	 3.1524682557	 1.611648198	 0.116057
+H	 1.873570166	-1.0867581278	-0.4856036963	 0.202388
+19
+0 1732	2.1910922	1.9448677	1.5260184	0.8616	73.52	-0.2175	0.06554	0.28304	975.1414	0.154897	-422.495393	-422.486827	-422.485883	-422.527669	33.59
+C	 0.1087737251	-0.1387690188	-0.1152085275	-0.444663
+C	 1.630099821	-0.1970171153	 0.0162128808	 0.244407
+C	 2.0765009631	-1.1275817748	 1.1395282382	-0.469342
+C	 2.322950918	-0.3752610181	-1.3774308548	 0.028342
+O	 3.7528258935	-0.3754239172	-1.0876516483	-0.290118
+C	 3.5979638571	 1.0152122155	-0.8033627913	-0.012561
+C	 2.3259601632	 1.1869747598	-1.5695981842	-0.198348
+C	 2.2593374739	 1.2076317072	-0.0546119444	 0.313587
+O	 1.9693829702	 2.3081964508	 0.7227612237	-0.461402
+H	-0.3409264757	 0.281602652	 0.7903087497	 0.121975
+H	-0.2013073489	 0.48684885	-0.9581697126	 0.117747
+H	-0.3077128696	-1.1416748304	-0.2613328907	 0.10992
+H	 1.7434563604	-0.7454470663	 2.1118613059	 0.106674
+H	 1.6438712492	-2.1274804147	 1.0198569539	 0.111569
+H	 3.1639318295	-1.2244613967	 1.1544383125	 0.131656
+H	 2.0157798871	-1.1419256029	-2.0867195611	 0.082265
+H	 4.4710554877	 1.6445593835	-0.6869013094	 0.110486
+H	 1.9991606256	 1.8640339155	-2.3454875305	 0.106303
+H	 2.5012078096	 2.265158401	 1.52530455	 0.291504
+19
+0 1733	2.2260933	1.92312	1.5094599	0.6776	74.06	-0.23137	0.05749	0.28886	975.0819	0.155675	-422.513906	-422.505404	-422.50446	-422.546097	33.709
+C	-0.1392673376	-0.0286127136	 0.1567876815	-0.482958
+C	 1.3698500382	-0.0107861541	-0.0276754842	 0.353784
+O	 2.0189574337	-0.3730687473	 1.1941413093	-0.492569
+C	 2.1105943217	 1.2518699075	-0.5692041301	-0.103073
+C	 1.4631350366	 1.5563471916	-1.947048651	-0.25207
+C	 2.0680400698	 0.2264449006	-2.3969675683	-0.11412
+C	 3.1254784693	 0.2863189166	-1.3053542959	-0.163807
+C	 2.0208809716	-0.7356127305	-1.2089680162	 0.355545
+O	 2.067025528	-2.098418645	-1.4215490261	-0.471651
+H	-0.4368111328	 0.6481126575	 0.9641369188	 0.122538
+H	-0.6698816162	 0.2533168645	-0.7550284142	 0.126758
+H	-0.4728805548	-1.0404716653	 0.4204728783	 0.110714
+H	 1.5713037458	-1.1532754549	 1.5376400691	 0.273819
+H	 2.3738047369	 2.0350234775	 0.1380079813	 0.076767
+H	 0.3791356827	 1.7062765248	-1.9918386611	 0.088585
+H	 1.9620519384	 2.3960040499	-2.4396215819	 0.101667
+H	 2.1790089766	-0.1691502122	-3.3988776511	 0.091461
+H	 4.2013173325	 0.2065309294	-1.3304434274	 0.092688
+H	 2.6158760796	-2.4775846271	-0.7252424705	 0.285922
+19
+0 1734	2.1947824	1.9969023	1.5190897	2.1952	73.61	-0.2315	0.07446	0.30596	973.73	0.15554	-422.50947	-422.501094	-422.50015	-422.541641	32.976
+C	 0.6319221252	 2.5584456229	 1.7058171751	-0.523226
+C	 1.479183503	 1.3769850909	 1.3433146769	 0.239481
+C	 2.9129073793	 1.1646190108	 1.8444320992	 0.014149
+O	 3.1981473414	-0.2448225027	 1.8393630357	-0.312745
+C	 2.5051805982	-0.2771814906	 0.5517817189	-0.013294
+C	 2.666849061	 1.2691729499	 0.3787229194	-0.197061
+C	 1.0212606268	-0.054020822	 0.9783699367	 0.397063
+C	 0.0195261163	-0.1218436329	-0.1597235789	-0.44116
+O	 0.5687574102	-0.8758325084	 2.0209878483	-0.491981
+H	 0.0745769914	 2.3645360778	 2.6287841296	 0.134865
+H	 1.2409557829	 3.4547701146	 1.8662867364	 0.119688
+H	-0.0940847951	 2.7895422086	 0.9184258522	 0.124895
+H	 3.4284277322	 1.8016673251	 2.5512430781	 0.111695
+H	 2.8301291945	-1.0866579776	-0.0993055983	 0.083982
+H	 3.0485996265	 1.9086369336	-0.4039624004	 0.101968
+H	-0.1008820369	-1.1588250948	-0.4865998107	 0.124407
+H	-0.9583965526	 0.2384228708	 0.1736237836	 0.127594
+H	 0.3402168678	 0.4839147242	-1.0113787428	 0.116941
+H	 1.3338823081	-0.9822734901	 2.6044679309	 0.282741
+19
+0 1735	2.1237721	2.01421	1.6117764	1.1961	74.11	-0.22633	0.06433	0.29066000000000003	956.1823	0.156891	-422.533439	-422.525269	-422.524324	-422.565496	31.942
+C	-0.069700361	 0.5438360146	 0.0832314489	-0.514111
+C	 1.2686808775	-0.0967802574	-0.1178336278	 0.255491
+C	 1.8901359183	-0.9264731549	-1.254602994	-0.154088
+C	 2.3453965294	-2.0054169303	-0.271641911	-0.293396
+C	 2.0289921648	-1.0101777538	 0.8925373276	 0.31096
+O	 1.2695524539	-1.4577736992	 1.977581169	-0.491001
+C	 3.2776088554	-0.1830352288	 1.2277582664	-0.130902
+O	 3.6400577868	 0.4168745767	-0.017558273	-0.269728
+C	 2.474605673	 0.4077045934	-0.8246360885	 0.061631
+H	-0.0401326973	 1.2827246593	 0.8920043274	 0.125843
+H	-0.3962219992	 1.0574526316	-0.826798135	 0.117829
+H	-0.8290651772	-0.2009592078	 0.3428052134	 0.130203
+H	 1.5174584685	-1.0901836803	-2.260288357	 0.081748
+H	 1.6439470866	-2.8432143056	-0.2446959215	 0.104755
+H	 3.3730225687	-2.377154205	-0.3550334609	 0.092742
+H	 1.7777577168	-2.1238579916	 2.4530991505	 0.281926
+H	 3.0416427508	 0.5805029895	 1.9852097438	 0.093825
+H	 4.1214618216	-0.7883617033	 1.5794883834	 0.095991
+H	 2.4249508127	 1.2428618528	-1.5135882318	 0.100283
+19
+0 1736	2.1302863	2.0569221	1.5960135	2.4792	73.85	-0.21194	0.07599	0.28793	963.4084	0.156134	-422.520803	-422.512606	-422.511661	-422.552944	31.735
+C	 3.4873666757	-0.579705331	-0.3000850332	-0.518118
+C	 2.562437824	-0.4763098565	 0.8740155472	 0.160655
+C	 2.1179549591	-1.4032148752	 1.9833119482	 0.009784
+O	 0.7287954431	-1.1261254439	 1.8271424182	-0.338789
+C	 1.0663414361	-0.027808286	 0.9068327594	 0.341945
+C	 0.2180000341	-0.0344811037	-0.3365747354	-0.491284
+C	 1.0849970647	 1.2336036497	 1.7658493511	-0.097269
+O	 2.083304925	 0.9781028871	 2.7598534613	-0.269157
+C	 2.8517003188	-0.1092068064	 2.3003796717	 0.029826
+H	 3.0582388591	-1.1896097567	-1.1029005602	 0.124704
+H	 3.7212131213	 0.4080269551	-0.7146819132	 0.124624
+H	 4.434860029	-1.042159344	-0.0055032625	 0.126642
+H	 2.413669963	-2.4046842162	 2.2779053213	 0.099903
+H	 0.3033259335	-0.9932622143	-0.8543450353	 0.133188
+H	-0.8343907951	 0.1184414229	-0.0770060134	 0.134286
+H	 0.5234119877	 0.762879461	-1.0217480037	 0.123246
+H	 1.3455989006	 2.1268186966	 1.1754497555	 0.086699
+H	 0.1246059961	 1.3967753278	 2.2645639984	 0.115477
+H	 3.8567254342	-0.1384987462	 2.7057548846	 0.103638
+19
+0 1737	2.0949513	2.0460688	1.6269361	1.9487	74.12	-0.22799	0.06571	0.2937	954.7084	0.157063	-422.536305	-422.528309	-422.527365	-422.568077	31.837
+C	 0.0868071787	 0.200409073	-0.1712742215	-0.481624
+C	 1.5258905467	 0.0044554969	 0.2309829611	 0.335179
+C	 2.0598166296	 0.6742442598	 1.5501687239	-0.275594
+C	 3.3188500055	 1.0818677845	 0.7845685534	-0.168429
+C	 3.7986651983	-0.106804412	-0.0677490947	-0.119273
+C	 3.2740146033	-1.4959972816	 0.274792649	-0.108534
+O	 1.8470353893	-1.3859890548	 0.2063125313	-0.303153
+C	 2.6698809997	 0.7277052653	-0.5473253993	 0.339684
+O	 2.6282708833	 1.3285100233	-1.7859245495	-0.456413
+H	-0.5801389166	-0.3157411536	 0.5256017771	 0.130738
+H	-0.1761812537	 1.2629785118	-0.1711188104	 0.105699
+H	-0.0834359079	-0.2022469154	-1.1739174713	 0.134324
+H	 1.4607549133	 1.5405436288	 1.8467354527	 0.094273
+H	 2.1650712397	-0.0010518654	 2.4051968321	 0.097991
+H	 4.0003709678	 1.8877692675	 1.0303553029	 0.08737
+H	 4.7658350397	 0.0112452623	-0.5414741012	 0.097856
+H	 3.6026928909	-2.2478890173	-0.4521580862	 0.106967
+H	 3.5822189444	-1.8319206997	 1.2748553735	 0.095327
+H	 2.078143658	 2.1173224967	-1.7251866129	 0.287611
+19
+0 1738	2.1192349	2.0077822	1.6107692	2.5874	73.83	-0.22352	0.06183	0.28535	956.3644	0.157185	-422.530898	-422.522931	-422.521987	-422.56264	31.731
+C	-0.0132051303	 0.400702024	 0.0321730861	-0.500555
+C	 1.424300423	-0.0381172097	 0.2072501474	 0.208833
+C	 1.9425416993	-0.3433450136	 1.6574084891	-0.266062
+C	 3.1961641102	 0.4788742665	 1.3654327535	-0.193881
+C	 3.7016079286	 0.0867875012	-0.0292379824	 0.062756
+O	 3.340063377	-1.1736359727	-0.5518870786	-0.270296
+C	 1.9180700138	-1.1404959693	-0.7369557299	-0.116333
+C	 2.5702491234	 1.0246147797	 0.0741090015	 0.300584
+O	 2.5130224555	 2.2645352421	-0.5224606313	-0.457629
+H	-0.26292801	 1.2271418452	 0.706939531	 0.109201
+H	-0.2008376269	 0.7375263597	-0.9930899128	 0.127407
+H	-0.7070163175	-0.4187972176	 0.2499658885	 0.123074
+H	 1.3107878935	 0.1201800356	 2.4202684654	 0.095316
+H	 2.0888794356	-1.4006803998	 1.9017852593	 0.101888
+H	 3.8520179053	 0.9542162114	 2.0864077096	 0.085841
+H	 4.6867650692	 0.4266701621	-0.3243882806	 0.107939
+H	 1.6722774606	-0.9020421159	-1.7844257541	 0.0909
+H	 1.5197113553	-2.1321923965	-0.4969730287	 0.10382
+H	 1.9600676943	 2.8391448175	 0.019089397	 0.287196
+19
+0 1739	2.1258007	2.0357623	1.5896252	0.9608	73.69	-0.21882	0.06347	0.28229	960.7468	0.156863	-422.534825	-422.526766	-422.525822	-422.566697	32.005
+C	 0.1606442047	 0.5711659347	-0.2700119034	-0.486646
+C	 1.5681116503	 0.0573601586	-0.111576343	 0.348199
+C	 2.1397617962	-0.854671536	-1.1975242778	-0.241069
+C	 3.6193607811	-1.0568534021	-0.7644345132	-0.234188
+C	 3.8685040798	 0.0814662812	 0.2261213879	-0.125157
+C	 2.9221400896	 0.1491464373	 1.4332380633	-0.004818
+O	 1.7588010456	-0.6361535027	 1.1813093623	-0.340297
+C	 2.7193663557	 1.04622024	 0.2540278185	 0.264464
+O	 2.8072980749	 2.3962661819	 0.0007148277	-0.452485
+H	-0.1181334699	 1.2141846537	 0.5706132205	 0.11517
+H	 0.0630242542	 1.1443553134	-1.1974860358	 0.125702
+H	-0.5483810387	-0.2618940509	-0.3038701895	 0.131668
+H	 1.5849778576	-1.7949328782	-1.2676463069	 0.103378
+H	 2.0763999621	-0.3493092174	-2.1687598456	 0.100239
+H	 3.7628569264	-2.0323267568	-0.2910001671	 0.110528
+H	 4.3044926923	-1.0004933851	-1.6147707699	 0.100816
+H	 4.8655394027	 0.4738095352	 0.3955270626	 0.091574
+H	 3.2376439579	 0.2932062968	 2.4600117548	 0.103326
+H	 2.1373624074	 2.8490268964	 0.5256240546	 0.289597
+19
+0 1740	2.1046595	1.9935532	1.6029063	0.4454	73.71	-0.23211	0.06405	0.29616	955.6245	0.157725	-422.546905	-422.538938	-422.537994	-422.578638	32.04
+O	-2.5176620282	 0.8040787383	 0.0456809753	-0.462274
+C	-1.9034702583	 0.7828118302	 1.2777739307	 0.322385
+C	-1.9087075652	 1.6973421497	 2.4892549976	-0.162938
+C	-0.3805321716	 1.6505809547	 2.5755872353	-0.262706
+C	-0.3876169564	 0.4833233675	 1.5478707797	 0.342936
+O	 0.5151924246	 0.676171526	 0.492177702	-0.501663
+C	-0.3664113151	-0.8849876068	 2.243746131	-0.27814
+C	-1.6340428496	-0.8558443517	 3.1401719037	-0.240752
+C	-2.4888354617	 0.2666472442	 2.5377227878	-0.091247
+H	-2.0374303832	 1.4373035324	-0.5017479847	 0.287386
+H	-2.5409116601	 2.5447419779	 2.7267971782	 0.085475
+H	 0.0767691879	 2.5378729477	 2.1308723313	 0.108889
+H	 0.0847534657	 1.4501519412	 3.5471807524	 0.088502
+H	 0.4594570558	-0.0927823411	-0.0866178196	 0.278048
+H	-0.4502736291	-1.6769128828	 1.4868226843	 0.08819
+H	 0.5586255027	-1.0536939742	 2.8031681526	 0.101606
+H	-2.1659479807	-1.8111730076	 3.1168703137	 0.102877
+H	-1.3837486644	-0.6557945994	 4.1874338681	 0.10345
+H	-3.5690040931	 0.2313398139	 2.6279653906	 0.089976
+19
+0 1741	2.648138	1.7123883	1.3103344	0.9065	74.32	-0.22719	0.06755	0.29474	1026.1762	0.155253	-422.493619	-422.485192	-422.484248	-422.525789	33.331
+C	-0.0673406846	-0.4319095184	-0.2760561668	-0.45854
+C	 1.3900768429	-0.0585362121	-0.0279546928	 0.331928
+C	 2.0051846466	-0.8609268938	 1.1194302573	-0.449329
+C	 1.7477782607	 1.4338464744	 0.0569396191	-0.190781
+C	 1.9297903283	 1.8855300605	-1.4279802038	-0.036653
+O	 1.6491899002	 0.7626325863	-2.2590503798	-0.280735
+C	 2.3327415954	-0.0592195638	-1.2784558651	-0.062288
+C	 3.0486140808	 1.2427242697	-0.6798471987	 0.324305
+O	 4.3172992716	 1.5814427764	-0.3015650057	-0.454253
+H	-0.6854486221	-0.1732226067	 0.5914301208	 0.108078
+H	-0.4585524851	 0.0922723981	-1.1498721856	 0.131572
+H	-0.1729979048	-1.510059353	-0.4449826348	 0.107399
+H	 1.9339188876	-1.9366250086	 0.9200125384	 0.110381
+H	 3.0603751764	-0.6098402472	 1.2676201137	 0.128223
+H	 1.4800735305	-0.6652297229	 2.060581224	 0.115341
+H	 1.522893138	 2.1473785078	 0.8407969721	 0.089041
+H	 1.7406214544	 2.8854225205	-1.7951049508	 0.11229
+H	 2.7601988976	-0.9721084316	-1.6919307245	 0.078894
+H	 4.8548203655	 1.6940623245	-1.0947804668	 0.295127
+19
+0 1742	2.6646868	1.689929	1.3117331	1.5868	74.68	-0.23254	0.07217	0.30471	1022.8849	0.155916	-422.511186	-422.502832	-422.501888	-422.543261	33.499
+C	-0.1765169754	-0.0326584566	 0.1594488604	-0.472912
+C	 1.3279302578	 0.0737799735	-0.0424457635	 0.434766
+O	 2.0118437637	-0.8034901125	 0.85601797	-0.490368
+C	 1.9497526741	-0.1499026374	-1.4145251026	-0.182742
+C	 2.0150015541	 1.2267078065	-2.1425946436	-0.129481
+C	 1.3885490609	 2.2691178088	-1.2168653044	-0.250316
+C	 2.0316563046	 1.4702043017	-0.0536002818	-0.202215
+C	 3.042615527	 0.8440049268	-1.1250869157	 0.400469
+O	 4.4042031064	 0.7880100974	-1.2190684401	-0.458023
+H	-0.4628247084	 0.3145360078	 1.1607750859	 0.102788
+H	-0.7331170723	 0.5586508366	-0.5710333436	 0.124247
+H	-0.4884530861	-1.0772542303	 0.0629932637	 0.124945
+H	 1.741068336	-0.5680438113	 1.7504976684	 0.272583
+H	 2.0134174436	-1.0773873304	-1.9695827048	 0.087193
+H	 2.1269129611	 1.2544672795	-3.2190478749	 0.09071
+H	 1.8650706908	 3.2447603265	-1.3477973201	 0.105137
+H	 0.3010759591	 2.3966398099	-1.2092714686	 0.088348
+H	 2.2901764309	 1.9431598911	 0.8933148606	 0.060794
+H	 4.7082719023	 0.1020887723	-0.6123506855	 0.294077
+19
+0 1743	2.6813801	1.7069401	1.313727	0.7488	74.72	-0.22408	0.07327	0.29735	1032.6809	0.155047	-422.499693	-422.491096	-422.490152	-422.532127	33.486
+C	 4.5728796036	 0.9621801921	-1.2042195872	-0.533266
+C	 3.0994154477	 0.7379302324	-1.2599495808	 0.300924
+C	 1.9720011179	 1.2407830105	-2.089973341	 0.020738
+O	 1.4448624003	-0.046748317	-2.4300819399	-0.293293
+C	 2.170699355	-0.5407252157	-1.2721723313	-0.05988
+C	 1.3995206261	 0.0559946663	-0.0475949675	 0.42651
+C	-0.092278493	-0.2027103971	 0.0604929657	-0.470383
+O	 2.0869985998	-0.2378716547	 1.1620435221	-0.479548
+C	 1.9105640924	 1.3988310246	-0.5585137766	-0.203064
+H	 4.9886628023	 0.5883938009	-0.262594366	 0.135195
+H	 5.0890129362	 0.4607964504	-2.0306215001	 0.124877
+H	 4.8016875873	 2.03155482	-1.2668880289	 0.124032
+H	 1.8800093881	 2.0535803006	-2.7990810333	 0.108241
+H	 2.4498532269	-1.5927106938	-1.3318591565	 0.075634
+H	-0.5412827436	 0.4502266143	 0.8154174717	 0.121148
+H	-0.576171243	-0.026876544	-0.9023127464	 0.139954
+H	-0.2877846177	-1.2427523935	 0.353565959	 0.099144
+H	 1.8325555003	-1.1280797215	 1.4293194861	 0.2751
+H	 1.8701385933	 2.360467815	-0.0614294492	 0.087937
+19
+0 1744	2.2137311	1.9008781	1.8416531	2.0911	73.9	-0.24235	0.06975	0.31210000000000004	928.1125	0.158021	-422.534912	-422.527366	-422.526422	-422.566712	29.467
+C	-0.110086979	 0.1023145766	-0.2379906672	-0.531549
+C	 1.3786795267	 0.0214168772	-0.0265884814	 0.272323
+C	 2.1492056064	-0.6916213467	 1.126214465	 0.056911
+C	 2.8045993866	 0.6405148448	 1.5354390239	-0.256854
+C	 2.2536577989	 1.2905297361	 0.2255627738	 0.058665
+O	 3.1921793409	 1.4217664376	-0.8300536698	-0.275522
+C	 3.2066573967	 0.2453505407	-1.6411006078	-0.092562
+C	 2.3155267046	-0.7790460371	-0.955265175	 0.053883
+O	 2.9583860862	-1.4205487029	 0.1740310545	-0.315105
+H	-0.6026666558	 0.6256951	 0.5886701879	 0.123179
+H	-0.3462339725	 0.6484385805	-1.1590652267	 0.126649
+H	-0.5578781466	-0.894261311	-0.3153082547	 0.125511
+H	 1.7129440952	-1.3469222169	 1.8834807876	 0.076317
+H	 2.3316185822	 1.0705291155	 2.4245138201	 0.098324
+H	 3.8892689768	 0.6346690857	 1.6589143604	 0.112423
+H	 1.740175019	 2.2474703369	 0.35090391	 0.080116
+H	 2.8245494281	 0.4840076746	-2.6445696344	 0.094714
+H	 4.2340702112	-0.1241530753	-1.7370896883	 0.115141
+H	 1.8797620844	-1.5143583064	-1.6402856878	 0.077433
+19
+0 1745	2.1812415	1.9008083	1.8377578	2.5462	73.7	-0.23661	0.06955	0.30616	922.702	0.15858	-422.539929	-422.532521	-422.531577	-422.57141	29.777
+O	 0.6188841123	 0.1411778097	 0.22051176	-0.489088
+C	-0.5976724642	 0.80749567	 0.1509983602	 0.381471
+C	-2.0555932486	 0.2087810547	 0.3038015538	-0.120188
+C	-2.3892107306	 1.3977817762	 1.2487555469	-0.236355
+C	-0.9645789723	 2.0129222339	 1.0584743654	-0.113511
+C	-0.8526773012	 3.2164143433	 0.1305309708	-0.088642
+O	-1.1820977245	 2.7417084085	-1.1769994046	-0.278255
+C	-0.9855594034	 1.3350403774	-1.253234354	 0.08518
+C	-2.3071632348	 0.5127609167	-1.1918153562	-0.241888
+H	 0.7387526711	-0.1871774183	 1.1180554452	 0.280614
+H	-2.274315799	-0.7947955796	 0.6692085546	 0.065254
+H	-3.222494952	 2.0328405268	 0.934952742	 0.102937
+H	-2.5656236511	 1.079572018	 2.2789698266	 0.099768
+H	-0.3870779075	 2.1244638077	 1.9790624494	 0.067311
+H	-1.5443167088	 4.0296408785	 0.3779331458	 0.104004
+H	 0.1718242087	 3.6200955229	 0.1453533333	 0.093915
+H	-0.2965830384	 1.0919155226	-2.0668074041	 0.08506
+H	-3.2141071169	 1.0634193801	-1.4534975369	 0.100363
+H	-2.2411673188	-0.3907567688	-1.804447728	 0.102049
+19
+0 1746	2.2131536	1.8625009	1.8109856	2.457	73.35	-0.23963	0.0602	0.29983	930.4422	0.158392	-422.542444	-422.534845	-422.533901	-422.574396	29.925
+O	 0.3505952095	 0.2537792901	 0.0248115493	-0.487436
+C	-0.4806311897	 0.8949112495	 0.9319521289	 0.344525
+C	-1.309040719	 0.1001038526	 2.007153036	-0.099712
+C	-2.6164271351	 0.6626211968	 1.3522766936	-0.241445
+C	-1.7715742869	 1.6370934227	 0.5144634999	 0.076079
+O	-1.3695927463	 2.7919524808	 1.2895325243	-0.321116
+C	-0.0958630901	 2.1961188918	 1.6709383568	 0.066908
+C	-0.0108895044	 1.8939215645	 3.1603403614	-0.231588
+C	-0.9481573573	 0.6730743848	 3.3994762903	-0.228255
+H	 0.9345183493	-0.3410474661	 0.5080858501	 0.281937
+H	-1.2210299238	-0.9869572142	 1.9526946233	 0.06832
+H	-3.1105817235	-0.0852744706	 0.7248123106	 0.102622
+H	-3.3506910273	 1.1199123451	 2.0205862199	 0.103108
+H	-2.0633162867	 1.8946732999	-0.505486605	 0.079558
+H	 0.7440512286	 2.7731471538	 1.2687197947	 0.073456
+H	 1.0270312617	 1.6427726908	 3.4118328421	 0.094535
+H	-0.2843488822	 2.7657799461	 3.761252722	 0.113305
+H	-0.451269996	-0.0780735314	 4.0207667209	 0.096052
+H	-1.8539805507	 0.9684011527	 3.9363032611	 0.109147
+19
+0 1747	2.434414	1.7661658	1.7127245	1.9364	73.79	-0.24658	0.08822	0.3348	947.1459	0.158688	-422.528456	-422.520969	-422.520025	-422.559938	29.715
+C	 0.7373010156	 1.207645209	 0.5268021637	-0.514236
+C	 1.7445172852	 0.1666791286	 0.1319571834	 0.251276
+C	 1.8072717518	-0.8210535264	-1.0553777232	-0.149222
+C	 2.2546478655	-1.9534934753	-0.1361354935	-0.246536
+C	 2.334601902	-0.9301480513	 1.0456173923	 0.062685
+O	 3.6386129428	-0.6708816013	 1.5505899157	-0.269923
+C	 4.3450794903	 0.2617722278	 0.765797378	 0.020418
+O	 4.1313932044	 0.0848681559	-0.6157764326	-0.2525
+C	 2.7803816548	 0.3196793683	-0.9404529021	 0.052848
+H	 1.1526036943	 1.9029321	 1.2661946977	 0.126372
+H	 0.4185850638	 1.7972812943	-0.3391555704	 0.121659
+H	-0.157758486	 0.7526521993	 0.9661485408	 0.121226
+H	 1.1350449488	-0.9025815986	-1.9013446419	 0.086464
+H	 1.4739314472	-2.6995833361	 0.0294925938	 0.10028
+H	 3.1936606279	-2.451252801	-0.3884752384	 0.110286
+H	 1.7142489753	-1.2000465385	 1.9021851681	 0.08704
+H	 4.0576530963	 1.288035891	 1.0508881682	 0.081574
+H	 5.4089690696	 0.1040016438	 0.9557677788	 0.117553
+H	 2.6476540504	 1.1401196903	-1.6419371984	 0.092736
+19
+0 1748	2.6222355	1.6741645	1.5641122	2.731	74.46	-0.2245	0.08146	0.30596	976.605	0.158094	-422.514163	-422.506526	-422.505582	-422.545881	29.862
+C	 1.746016211	 0.5618594	 1.2342663823	-0.511832
+C	 2.2327560902	-0.0179449182	-0.0591433484	 0.239364
+C	 1.8394022511	-1.3455519023	-0.6673169752	-0.137263
+C	 1.1469057926	-1.39383519	-2.0178312675	-0.094241
+O	 1.6261894226	-0.4585995527	-2.9689071694	-0.241279
+C	 1.9108102405	 0.8326247784	-2.4729699362	-0.094735
+C	 2.815809088	 0.7718818448	-1.2487423549	 0.043991
+O	 3.8741818941	-0.2112680729	-1.4392613462	-0.294169
+C	 3.2978946005	-1.0235815854	-0.4181970235	 0.052083
+H	 1.5922958702	-0.2239242008	 1.9811599961	 0.122897
+H	 2.464288302	 1.2800326747	 1.6462816038	 0.123313
+H	 0.789202437	 1.0833285347	 1.1078797659	 0.122183
+H	 1.4331451867	-2.0523366211	 0.0546419484	 0.088184
+H	 1.2705539921	-2.3749148836	-2.4888546536	 0.11375
+H	 0.0655654116	-1.2419769291	-1.8481643642	 0.085006
+H	 2.4008649443	 1.3590356587	-3.2977396587	 0.115556
+H	 0.9926792746	 1.3882780812	-2.2086458247	 0.084521
+H	 3.2280386395	 1.7532817158	-0.9903338243	 0.079806
+H	 3.9685293615	-1.6274435719	 0.1833905103	 0.102866
+19
+0 1749	2.5777716	1.7083918	1.585877	1.7337	73.93	-0.21339	0.07112	0.28451	971.3944	0.158324	-422.5153	-422.507716	-422.506771	-422.546917	29.929
+C	-0.0337971829	 1.70428615	 0.3211518296	-0.510853
+C	 1.1490304782	 0.7901585786	 0.2066308968	 0.210443
+C	 1.4389050855	-0.4982679766	-0.5646213322	-0.006257
+O	 1.959563657	-1.175498753	 0.5792031217	-0.307
+C	 1.8214468478	 0.0431513835	 1.3740348726	 0.048946
+C	 3.1883740475	 0.602567439	 1.7529963915	-0.24527
+C	 4.1159024567	 0.5182077632	 0.5328385012	-0.057825
+O	 3.5407688701	 1.0477818136	-0.660797493	-0.272303
+C	 2.1882127883	 0.7775960208	-0.8780738819	 0.055089
+H	 0.2343625693	 2.6403275771	 0.8264800941	 0.124635
+H	-0.4245896486	 1.9678361837	-0.6669075514	 0.123768
+H	-0.8474819995	 1.2392167544	 0.8899197827	 0.121692
+H	 0.8657520185	-1.0861353251	-1.2746895825	 0.100669
+H	 1.1674998967	-0.1379724557	 2.2328284744	 0.078902
+H	 3.0678057654	 1.6388698362	 2.0914787858	 0.107203
+H	 3.6374247411	 0.0343399754	 2.5750167155	 0.107291
+H	 5.0290329843	 1.0971488686	 0.6984565657	 0.102241
+H	 4.3951201023	-0.5294920492	 0.372479429	 0.115704
+H	 1.8764673023	 1.2453183554	-1.8087673994	 0.102925
+19
+0 1750	2.375973	1.7378796	1.6932154	2.2012	73.69	-0.23224	0.0736	0.30584	950.5723	0.159102	-422.529626	-422.522244	-422.5213	-422.560895	30.035
+O	 0.4290486784	 0.6937753852	 0.2534783367	-0.461326
+C	-0.8475204398	 0.495216837	 0.7423188851	 0.32614
+C	-1.5077132561	 0.769472052	 2.1104379254	-0.184926
+C	-2.3177919238	-0.5174806951	 1.9767693304	-0.233447
+C	-1.7254101253	-0.7565715723	 0.540605175	-0.090099
+C	-2.7094607778	-0.6455816582	-0.6377523934	-0.23468
+C	-3.0093909345	 0.8359880372	-0.9316788328	-0.070154
+O	-3.0367539455	 1.6167055044	 0.2632728729	-0.259528
+C	-1.7858978255	 1.6349865457	 0.896565451	 0.064935
+H	 1.0031165916	 0.0119769509	 0.6207296617	 0.284414
+H	-1.1061162794	 1.1940029997	 3.0225741334	 0.086893
+H	-2.0068757343	-1.2919151498	 2.6815546105	 0.096652
+H	-3.4037749988	-0.401060473	 2.0240799934	 0.106242
+H	-1.1494639473	-1.684290006	 0.4967958978	 0.066482
+H	-2.2985315696	-1.1118193804	-1.5403863055	 0.098441
+H	-3.6307018442	-1.1857530507	-0.3919362619	 0.103296
+H	-2.2479794027	 1.2417743339	-1.6137394783	 0.100976
+H	-3.987079107	 0.9650769274	-1.4026725035	 0.104766
+H	-1.3197918584	 2.618052192	 0.918891062	 0.094923
+19
+0 1751	2.4048784	1.7027689	1.642504	2.4665	73.76	-0.2281	0.07474	0.30284	960.1617	0.159083	-422.526116	-422.518714	-422.517769	-422.557451	29.979
+O	 0.5154569909	 0.6231717152	 0.3761335914	-0.458861
+C	-0.7878904825	 0.4251456814	 0.7808303403	 0.394651
+C	-1.5208970488	 0.7085571128	 2.0931456557	-0.161263
+C	-2.2914570758	-0.601746334	 1.9615988268	-0.245042
+C	-1.6392000766	-0.8421770522	 0.5516312174	-0.130799
+C	-2.5573934594	-0.7633759846	-0.6786291644	-0.081991
+O	-2.8238886035	 0.5656819753	-1.0947076793	-0.24454
+C	-2.9942050166	 1.4900973112	-0.0278135655	-0.108327
+C	-1.7469045601	 1.5630727099	 0.8459902559	-0.090396
+H	 1.0645857309	-0.0594819223	 0.7780455566	 0.283314
+H	-1.1601060423	 1.1562145834	 3.0110358222	 0.086239
+H	-1.9705008347	-1.3530535439	 2.6872277655	 0.100455
+H	-3.3847880298	-0.5442521633	 1.9850874743	 0.09707
+H	-1.0607229324	-1.7692414562	 0.5297774499	 0.070716
+H	-2.0903008367	-1.2480468074	-1.5420388024	 0.108365
+H	-3.4998310575	-1.2975419836	-0.4668009585	 0.084611
+H	-3.1772844841	 2.4536234183	-0.5099648717	 0.110886
+H	-3.8912986907	 1.2424452593	 0.5629083036	 0.088549
+H	-1.2555949003	 2.5290141605	 0.9044686521	 0.096364
+19
+0 1752	2.3767757	1.7218454	1.6759441	1.3465	73.87	-0.23548	0.07728	0.31276	955.1896	0.158988	-422.530679	-422.523265	-422.522321	-422.561968	30.17
+O	 0.4312518262	 0.6371360538	 0.2430864942	-0.462249
+C	-0.8383699767	 0.4608030497	 0.7572378184	 0.348867
+C	-1.4442924761	 0.7024891937	 2.1440113694	-0.162549
+C	-2.2874725453	-0.5619615035	 2.0243069841	-0.254609
+C	-1.7544058184	-0.7595596887	 0.555997092	 0.04104
+O	-2.7078964573	-0.6926990574	-0.4846733903	-0.273772
+C	-3.0289216197	 0.6256245172	-0.9195114073	-0.058752
+C	-3.0737005631	 1.6551265739	 0.2188243282	-0.25732
+C	-1.7430736998	 1.6295245995	 0.9679876752	-0.076705
+H	 0.9860254777	-0.0909859886	 0.5447692933	 0.284152
+H	-0.9727602638	 1.084194952	 3.0410048187	 0.087943
+H	-1.9553630703	-1.3642524534	 2.6884297474	 0.098309
+H	-3.3724277098	-0.4577693506	 2.1112489184	 0.100355
+H	-1.2209697427	-1.706597125	 0.4321051193	 0.078453
+H	-2.2845936143	 0.9600825538	-1.6588235672	 0.099363
+H	-3.9945831656	 0.5444611857	-1.4275821307	 0.102474
+H	-3.2458478505	 2.644652515	-0.2166408228	 0.102418
+H	-3.9193086906	 1.4533976463	 0.8856932999	 0.107731
+H	-1.2021492799	 2.5683631466	 1.0361034698	 0.09485
+19
+0 1753	2.5508934	1.6767246	1.5456619	2.4144	73.56	-0.2231	0.06876	0.29186	975.5161	0.158787	-422.52884	-422.521321	-422.520377	-422.560285	30.274
+O	 0.4758124569	 0.6011848552	 0.8078525722	-0.45975
+C	-0.856983143	 0.6071589223	 0.44574138	 0.294021
+C	-1.9870380851	-0.0745889952	 1.1725010248	-0.128945
+C	-2.8557623154	-1.1208999528	 0.4893315039	-0.227336
+C	-3.1621579577	-0.8177156401	-0.9927165212	-0.19446
+C	-1.9661282749	-0.2164538075	-1.7522156755	-0.226005
+C	-1.3837535784	 0.949237278	-0.9614275197	 0.046114
+O	-2.4418572448	 1.7809568131	-0.3788623975	-0.301789
+C	-2.0077459074	 1.4334874508	 0.9349185415	 0.026683
+H	 0.7692037757	-0.3136288992	 0.8776312003	 0.287551
+H	-1.7317305361	-0.2880101197	 2.2100797309	 0.087626
+H	-2.3298977324	-2.0833150417	 0.5635104418	 0.091629
+H	-3.797032249	-1.2480942907	 1.0369663993	 0.101676
+H	-3.5006343148	-1.7333367932	-1.4885847059	 0.087547
+H	-3.9845443128	-0.1003671476	-1.0469566881	 0.123184
+H	-1.1705691425	-0.9587950952	-1.906579619	 0.093444
+H	-2.2882223467	 0.1130364529	-2.7461731671	 0.103321
+H	-0.6900817101	 1.5703395704	-1.5364558984	 0.08583
+H	-2.1136656013	 2.1726836101	 1.7200386675	 0.109659
+19
+0 1754	2.2735365	1.9642154	1.7053683	1.8866	73.48	-0.23524	0.08908	0.32432	935.0328	0.158889	-422.551427	-422.543984	-422.54304	-422.582984	29.27
+C	-0.0632073342	 0.0195335381	-0.1362814035	-0.511651
+C	 1.4299942423	 0.0523799293	 0.0463715773	 0.286554
+C	 2.2541602708	-0.9041442767	 0.8840078893	-0.167261
+C	 3.2025510836	-0.072194289	 1.7336978464	-0.097358
+O	 2.9131877234	 1.2987047603	 1.4420349896	-0.267994
+C	 2.2261315293	 1.3679141143	 0.1978473312	 0.011005
+C	 3.2046261146	 1.2960279917	-0.9809275459	-0.091777
+O	 3.5385343154	-0.0925475698	-1.1037227519	-0.265594
+C	 2.4410067366	-0.8302463208	-0.6208927083	 0.047162
+H	-0.578838841	 0.4583273429	 0.7253809773	 0.126391
+H	-0.3715570131	 0.573737075	-1.0302245384	 0.121531
+H	-0.420921722	-1.0089302208	-0.2481067355	 0.120985
+H	 1.8064342174	-1.7972587748	 1.306664268	 0.089396
+H	 3.0361429893	-0.2359718602	 2.8037536547	 0.104018
+H	 4.2530185191	-0.2939178468	 1.5035528101	 0.108459
+H	 1.6136635328	 2.2729559481	 0.1971129075	 0.084
+H	 2.7284216985	 1.6568646363	-1.9061031501	 0.089478
+H	 4.1228118861	 1.8596557859	-0.7998054615	 0.117541
+H	 2.170361541	-1.675953563	-1.2453341564	 0.095116
+19
+0 1755	2.2515886	1.9785166	1.6999785	2.8005	73.17	-0.24958	0.08103	0.33061	937.191	0.159298	-422.563474	-422.556037	-422.555093	-422.595175	29.067
+C	 0.8178548194	 1.4755850443	-0.1625704747	-0.514381
+C	 1.6021803123	 0.1944031517	-0.0862266629	 0.318601
+C	 2.6711781024	-0.1589794418	 0.9111993207	-0.137611
+C	 3.879564515	-0.6567358738	 0.1319060317	-0.102884
+O	 3.5136211567	-0.5968002287	-1.2495143888	-0.257278
+C	 2.1053200542	-0.5359977576	-1.347733189	 0.126144
+O	 1.5202137182	-1.8221376743	-1.3351405622	-0.257281
+C	 1.3229278661	-2.2281560542	 0.0220762082	-0.10288
+C	 1.3742417918	-0.9561239761	 0.8554831541	-0.137585
+H	 0.557793159	 1.833375395	 0.8385063655	 0.119997
+H	 1.3921623665	 2.2657461341	-0.6591131289	 0.126847
+H	-0.115790877	 1.3390984867	-0.7197218948	 0.126841
+H	 2.8397374465	 0.4573021103	 1.787594051	 0.090208
+H	 4.7487678233	-0.0078854194	 0.2856110359	 0.107153
+H	 4.1701332633	-1.6817649698	 0.4019509888	 0.102096
+H	 1.8635078106	-0.0755789276	-2.3068606083	 0.092561
+H	 0.3443404136	-2.7149825046	 0.0963544188	 0.10715
+H	 2.0887249844	-2.9610892503	 0.312604572	 0.102094
+H	 0.6947546836	-0.8611033741	 1.6954523328	 0.09021
+19
+0 1756	2.2395765	1.9829526	1.6964866	2.6769	73.46	-0.21988	0.08683	0.30671	937.5001	0.158696	-422.543413	-422.53594	-422.534995	-422.575046	29.292
+C	-0.0419221075	-0.009816982	-0.1412143681	-0.503861
+C	 1.4478282437	 0.02280239	 0.0718022115	 0.227598
+C	 2.2606397411	-0.9158976895	 0.9295227277	 0.020021
+O	 3.173800764	-0.2231357609	 1.7371626641	-0.255496
+C	 2.9017556375	 1.1736051646	 1.6047217235	-0.073862
+C	 2.2453681991	 1.3451787039	 0.2252297162	-0.135298
+C	 3.2618010054	 1.2498244124	-0.9241426698	-0.073858
+O	 3.5717673497	-0.1388950746	-1.0576303873	-0.25549
+C	 2.4754604999	-0.8704262316	-0.5790711158	 0.019997
+H	-0.5760770745	 0.4592835601	 0.6932579393	 0.120872
+H	-0.3264854648	 0.5153852069	-1.0604016972	 0.12086
+H	-0.4035909547	-1.0395088272	-0.2256533658	 0.121997
+H	 1.8391483831	-1.8039584194	 1.3913728007	 0.094162
+H	 2.2182690708	 1.5040701	 2.4022188423	 0.091021
+H	 3.8477139772	 1.7137202545	 1.7106924561	 0.108576
+H	 1.6206308704	 2.2391288921	 0.163225441	 0.079001
+H	 2.8250212586	 1.6324624272	-1.8596507244	 0.091021
+H	 4.1951940345	 1.7873282344	-0.7300890213	 0.108578
+H	 2.2069566464	-1.726093281	-1.1917344828	 0.09416
+19
+0 1757	2.2070191	1.9566974	1.6922753	2.307	73.1	-0.23019	0.07408	0.30427	934.4466	0.159394	-422.55693	-422.549635	-422.548691	-422.588193	29.63
+O	 0.6099909541	 0.039976324	 0.4114210532	-0.47327
+C	-0.7176249987	 0.3500706108	 0.6700941028	 0.338821
+C	-1.438620583	 0.1701243908	 1.9952029105	-0.164079
+C	-2.3516286623	 1.3635082622	 2.2596164276	-0.228725
+C	-2.0173701487	 2.3723621845	 1.129534844	-0.208805
+C	-1.4595154896	 1.5205297516	-0.0313091487	-0.120732
+C	-2.5565996103	 0.7635759053	-0.8005367433	-0.080392
+O	-2.9072254597	-0.3591813038	 0.0232867864	-0.260868
+C	-1.7675799935	-0.6943392387	 0.7720526563	 0.0492
+H	 1.1646181979	 0.6520222533	 0.907911655	 0.281806
+H	-0.9475577553	-0.3425301751	 2.8159655329	 0.085444
+H	-3.4025200741	 1.060351831	 2.2152400676	 0.116839
+H	-2.1747826107	 1.7909488299	 3.2502599319	 0.095855
+H	-2.8770300169	 2.9816521623	 0.8331048168	 0.09548
+H	-1.23583227	 3.0601618217	 1.4726016742	 0.092186
+H	-0.8041872368	 2.0792062858	-0.7026815909	 0.076333
+H	-3.4657435103	 1.3476091602	-0.9722154373	 0.104435
+H	-2.174425766	 0.4099662433	-1.7696501306	 0.097588
+H	-1.5333219962	-1.7530306591	 0.7993489318	 0.102885
+19
+0 1758	2.1958858	1.960875	1.6808889	0.9084	73.18	-0.23578	0.07763	0.31340999999999997	937.2734	0.159409	-422.560958	-422.553604	-422.552659	-422.592409	29.611
+O	 0.5602676616	 0.1683510234	 0.0524201622	-0.472874
+C	-0.6013780052	 0.4258457218	 0.7638915534	 0.375737
+C	-1.9621999983	 0.1013705462	 0.2294714155	-0.089267
+C	-2.8856478516	 1.313019793	 0.358810235	-0.241226
+C	-1.9614824093	 2.4464063838	 0.8755232641	-0.212004
+C	-0.8057693235	 1.7191115213	 1.5847972978	 0.016978
+O	-1.1824713695	 1.3081622999	 2.9032079016	-0.27555
+C	-1.7856433958	 0.0121376984	 2.8544055393	-0.096608
+C	-1.4362690052	-0.5794781088	 1.5027718161	-0.162881
+H	 1.2605913006	-0.037966373	 0.6818060387	 0.284655
+H	-2.0512295829	-0.5500379455	-0.6327858682	 0.09156
+H	-3.3359644641	 1.5651965455	-0.6050141069	 0.101723
+H	-3.7133566741	 1.1209040985	 1.0507292492	 0.106151
+H	-1.5538439442	 3.0034784714	 0.0240674665	 0.102506
+H	-2.4598420615	 3.1575847684	 1.5390254974	 0.103135
+H	 0.1001334739	 2.3247268279	 1.6704812527	 0.077868
+H	-1.3745746725	-0.5926463235	 3.6720084667	 0.101477
+H	-2.8709970416	 0.0954951402	 3.0159158603	 0.095741
+H	-1.2152153169	-1.6380507993	 1.4269468287	 0.092878
+19
+0 1759	2.3468054	1.7106874	1.2815036	1.862	74.76	-0.23731	-0.02652	0.21079	1050.7991	0.156388	-422.579216	-422.570916	-422.569972	-422.612159	31.769
+C	-2.9505596016	 0.0160836169	 1.2457920254	-0.458487
+C	-2.051913921	 0.0321461012	 0.0273671511	 0.412012
+C	-1.0121249904	-1.1360101062	-0.100301174	-0.407398
+C	 0.0963256656	-0.0833599617	-0.2398737396	 0.408527
+O	 1.278865381	-0.1378055123	-0.4205997325	-0.303863
+C	-0.8893574403	 1.0882774694	-0.0716348464	-0.20746
+C	-1.1957610813	 1.8804957771	-1.3507702534	-0.235433
+C	-2.1038738847	 0.907786956	-2.1210944629	-0.100958
+O	-2.8558309894	 0.2133304537	-1.1319178747	-0.293258
+H	-3.6724753727	-0.8036134509	 1.1759110262	 0.131124
+H	-2.3654366075	-0.1195838557	 2.1603455617	 0.115167
+H	-3.5080965262	 0.954137649	 1.3219188537	 0.123854
+H	-0.9055557797	-1.7563575388	 0.7953353226	 0.130029
+H	-1.1479617396	-1.7926118458	-0.9645986453	 0.135984
+H	-0.6942886554	 1.7162942979	 0.8006861817	 0.097178
+H	-1.7391375689	 2.7961452157	-1.0994395721	 0.114355
+H	-0.2962105042	 2.1545072129	-1.907461226	 0.123702
+H	-2.8112599005	 1.4014310242	-2.7920812446	 0.11473
+H	-1.5011016831	 0.2061493673	-2.7195320508	 0.100194
+19
+0 1760	2.2747353	1.7327033	1.2630853	3.1481	74.84	-0.23815	-0.02389	0.21426	1057.4294	0.156815	-422.574347	-422.566085	-422.565141	-422.607417	31.424
+C	-2.9946536567	-0.079740543	 1.1993924988	-0.485113
+C	-2.0391619179	-0.0543470384	 0.0174821204	 0.319675
+C	-0.8926478901	-1.122518479	 0.0497609268	-0.406166
+C	 0.1286749968	 0.0199305969	 0.0767634682	 0.429811
+O	 1.3200640136	 0.0686402113	 0.1827469927	-0.302123
+C	-0.9586871417	 1.0963903057	-0.0473629193	-0.216555
+C	-1.1199582909	 1.6719463121	-1.4661065815	-0.101007
+O	-1.7635139125	 0.6524531565	-2.2189212179	-0.250748
+C	-2.7228568138	 0.0622135222	-1.3524779919	-0.137192
+H	-3.6401725834	-0.9650104882	 1.1662101063	 0.123681
+H	-2.4524344901	-0.1052592225	 2.1502613389	 0.121997
+H	-3.6420026305	 0.803913339	 1.2065371726	 0.120343
+H	-0.868050262	-1.7671619619	 0.9338915455	 0.127103
+H	-0.8137278676	-1.7501983136	-0.8438441013	 0.13595
+H	-0.9507145307	 1.8629021643	 0.7309524794	 0.096184
+H	-1.7387505072	 2.5830000731	-1.4319624293	 0.096134
+H	-0.1719050829	 1.9096404393	-1.9550867162	 0.129445
+H	-3.620406526	 0.699500812	-1.273937413	 0.08623
+H	-3.0165764665	-0.8989110455	-1.7840650292	 0.112352
+19
+0 1761	2.2534486	1.7598658	1.2837658	3.564	74.53	-0.22736	-0.03243	0.19493	1051.9444	0.156768	-422.570716	-422.562455	-422.561511	-422.60369	31.55
+C	-3.0499152839	-0.1382505652	 1.2382856091	-0.480969
+C	-2.1161279909	-0.0371979329	 0.0405889081	 0.309664
+C	-0.9093048708	-1.033604266	 0.0378887374	-0.416747
+C	 0.0474602193	 0.1593617897	-0.1210612153	 0.384592
+O	 1.2234113191	 0.2619115208	-0.3100582033	-0.289265
+C	-1.1233867993	 1.1862233099	-0.0128244913	-0.039467
+O	-1.3872348576	 1.9467136947	-1.1662957058	-0.244576
+C	-1.9475028137	 1.0501736978	-2.1266183743	-0.102373
+C	-2.8404952724	 0.0932161133	-1.3168577756	-0.278226
+H	-3.6560995429	-1.0500459794	 1.1937242615	 0.122297
+H	-2.4903145541	-0.1610624221	 2.1799625083	 0.116065
+H	-3.7345260346	 0.7159379453	 1.2751672488	 0.123441
+H	-0.7659152552	-1.5672165094	 0.9835423259	 0.131223
+H	-0.8672866323	-1.7651764865	-0.775496744	 0.127441
+H	-1.0696382968	 1.8548405257	 0.8514105012	 0.099211
+H	-2.4906171597	 1.6485133521	-2.8613248767	 0.117339
+H	-1.1493067287	 0.5028515046	-2.6515621784	 0.10542
+H	-3.824562165	 0.547554537	-1.1639940624	 0.109092
+H	-2.9874057406	-0.8678427193	-1.8174812531	 0.105838
+19
+0 1762	2.2203541	1.8438739	1.310679	4.2936	74.2	-0.2641	0.01416	0.27826	1039.9003	0.158138	-422.617705	-422.609733	-422.608789	-422.649924	30.926
+C	-2.8278029394	 0.1803925186	-1.2733209288	-0.465108
+C	-2.0370363378	-0.0389451466	-0.0044364737	 0.438102
+C	-2.8322234334	-0.1722658387	 1.2952890432	-0.247243
+C	-1.8838683877	-0.897449491	 2.2708800882	-0.230502
+C	-1.1069040909	-1.8846547015	 1.3740648993	-0.225047
+C	-0.9235103677	-1.1244970734	 0.0500426077	-0.262559
+C	 0.0148636959	 0.0782686381	 0.1456930439	 0.448394
+O	 1.1860422211	 0.2757749654	 0.2253897262	-0.336352
+O	-0.9898203304	 1.0085410257	 0.1393432054	-0.29247
+H	-3.5167091256	-0.653294364	-1.441798762	 0.124044
+H	-3.4167312858	 1.1006937715	-1.2074445169	 0.134759
+H	-2.1635832832	 0.263399304	-2.1380997476	 0.130656
+H	-3.1773833813	 0.79974	 1.6579389416	 0.116757
+H	-3.7187880909	-0.7875556983	 1.098888838	 0.103699
+H	-1.193850879	-0.1781681206	 2.7239422221	 0.127288
+H	-2.4146000897	-1.3949329925	 3.0858905176	 0.10331
+H	-0.1542352686	-2.2028910085	 1.8052780795	 0.124277
+H	-1.7037357162	-2.7852939626	 1.1903789706	 0.106446
+H	-0.7672182396	-1.7550523657	-0.8258851943	 0.10155
+19
+0 1763	2.2282167	1.7403525	1.2745045	3.2187	74.46	-0.23598	-0.02151	0.21447	1050.3668	0.156844	-422.586969	-422.578731	-422.577787	-422.619713	32.086
+O	-2.7682604799	-0.0631944732	 1.2127285029	-0.488322
+C	-2.0330792777	-0.0651619574	 0.0095601598	 0.414308
+C	-0.9302393856	-1.1746536309	-0.0924287877	-0.419974
+C	 0.1124261497	-0.0576929101	-0.2410972702	 0.416857
+O	 1.2862713222	-0.0453534509	-0.4791108363	-0.305827
+C	-0.9325338375	 1.051911583	-0.039616498	-0.172596
+C	-1.2081003075	 1.9081680696	-1.2862214321	-0.220972
+C	-1.9960382267	 0.9607325079	-2.2161583279	-0.223474
+C	-2.8868304794	 0.1489787968	-1.2546418699	-0.279492
+H	-3.3958071464	-0.7934436373	 1.1836867592	 0.277991
+H	-0.8152403224	-1.7222457178	 0.8487125371	 0.133462
+H	-0.9856481332	-1.8883492765	-0.9203138695	 0.120417
+H	-0.7962405901	 1.6201624799	 0.8835230321	 0.105515
+H	-1.8261277748	 2.7695831148	-1.0098403095	 0.107596
+H	-0.2885039294	 2.2894232818	-1.7385407129	 0.118161
+H	-2.5728783761	 1.4926141581	-2.9771322962	 0.103898
+H	-1.3034577735	 0.2960613226	-2.7468069231	 0.112221
+H	-3.7584225938	 0.7452973099	-0.9607460303	 0.107796
+H	-3.2519802778	-0.7866517104	-1.6913801974	 0.092434
+19
+0 1764	2.7857369	1.6082145	1.2269066	4.311	75.49	-0.25755	0.01761	0.27516	1071.6762	0.156478	-422.596728	-422.588326	-422.587382	-422.629118	32.511
+C	-3.4060591445	 1.5288559904	-0.0035846493	-0.490977
+C	-2.3159365482	 0.4983081824	 0.0116285202	 0.425147
+C	-2.0552817281	-0.5576707687	-1.0906816692	-0.303598
+C	-1.0879300868	-1.129136507	 0.0096117198	 0.132875
+C	-0.4662124377	-2.5002916515	-0.0139134441	-0.496271
+C	-2.1682755209	-0.6455890932	 1.0449707358	-0.303608
+C	-0.1479976581	 0.0713072807	 0.1087445054	 0.448896
+O	 1.0427902356	 0.1419332571	 0.1745058507	-0.362465
+O	-0.9968303313	 1.1475921085	 0.1081534394	-0.279889
+H	-3.3837753064	 2.1276540748	 0.9116865311	 0.137231
+H	-3.288165285	 2.2025420835	-0.8574126905	 0.137274
+H	-4.3826413754	 1.0417852933	-0.0769785908	 0.123788
+H	-2.9107097156	-1.2129519126	-1.2711796228	 0.107452
+H	-1.6239327973	-0.2062569869	-2.0311889147	 0.114998
+H	 0.1185660561	-2.6750312772	 0.8945012187	 0.135723
+H	-1.2297213502	-3.2803386752	-0.0878555001	 0.115205
+H	 0.2139992723	-2.6015410031	-0.865246651	 0.135771
+H	-3.0351072483	-1.309742154	 1.0800709214	 0.107457
+H	-1.8399153101	-0.3742814513	 2.0512921801	 0.114992
+19
+0 1765	2.7670969	1.5963996	1.2168397	2.887	75.66	-0.22749	-0.01426	0.21323	1076.5863	0.155315	-422.57525	-422.566591	-422.565647	-422.607979	33.244
+C	-3.5931573621	 1.0116183123	-0.1797680671	-0.492187
+C	-2.2707095508	 0.3424215085	 0.0612663373	 0.410845
+C	-2.0461069044	-0.7630389216	 1.1233929431	-0.325603
+C	-0.9881418758	-1.1794623647	 0.0695739621	 0.297369
+C	-0.4568136702	-2.5613402944	-0.1503070122	-0.5058
+O	-1.8791150331	-0.6378157271	-0.9702525752	-0.360886
+C	-0.0014418666	 0.0033350603	 0.1630887641	 0.42156
+O	 1.1962298228	-0.0137489331	 0.2210338268	-0.329588
+C	-0.9840800318	 1.1931077124	 0.143291494	-0.380993
+H	-3.8339224079	 1.6871233448	 0.6474719733	 0.125569
+H	-3.5638483388	 1.5998513455	-1.1024900282	 0.132921
+H	-4.3914656319	 0.2695292434	-0.2679582884	 0.12889
+H	-1.7220958951	-0.4816765064	 2.1295504114	 0.1045
+H	-2.8730762854	-1.475504554	 1.1533171399	 0.113069
+H	 0.2115067651	-2.8357086693	 0.671422867	 0.137215
+H	-1.266939655	-3.292463906	-0.2097392533	 0.1255
+H	 0.1223369075	-2.5999786578	-1.0776349533	 0.142292
+H	-0.8897720594	 1.817611777	 1.0366074192	 0.122359
+H	-0.8450067769	 1.81611256	-0.7441531606	 0.132967
+19
+0 1766	2.9166011	1.5181838	1.1963814	2.7296	75.64	-0.24701	-0.01578	0.23123000000000002	1076.1875	0.156821	-422.585561	-422.577374	-422.576429	-422.617608	32.608
+C	-3.6396529016	-1.33163789	-0.083024836	-0.488954
+C	-2.3669287727	-0.5223118869	 0.0002406039	 0.320796
+C	-2.1668101153	 0.5905525002	 1.0778214035	-0.32632
+C	-1.0653224673	 1.0881018508	 0.079439512	 0.341107
+O	-0.4958710661	 2.3384463605	 0.1099586718	-0.488149
+C	-2.0169699099	 0.5743610382	-1.0554793816	-0.326323
+C	-0.0993858216	-0.0754303635	 0.1560996296	 0.377068
+O	 1.0992769481	 0.0207158536	 0.2395599227	-0.359507
+C	-1.0249998008	-1.2938448212	 0.1003630241	-0.376961
+H	-3.7613059337	-1.9696009391	 0.7995880986	 0.11991
+H	-4.5171723731	-0.6804022681	-0.1494073599	 0.118361
+H	-3.6375663986	-1.982679517	-0.9644680791	 0.119912
+H	-3.0051618537	 1.2899269749	 1.1168821446	 0.111879
+H	-1.8638257738	 0.2968347053	 2.0872718881	 0.100912
+H	 0.4615462224	 2.1946216623	 0.178259476	 0.290804
+H	-2.8408829942	 1.2721819311	-1.2219047609	 0.11188
+H	-1.5761718666	 0.2657435324	-2.0081139447	 0.100912
+H	-0.8117767409	-1.9244184749	-0.7693321773	 0.126334
+H	-0.9360975407	-1.9109488486	 1.0007724647	 0.126336
+19
+0 1767	2.7850169	1.5347403	1.185044	2.1624	75.41	-0.23712	-0.00805	0.22907	1077.6697	0.15638	-422.583159	-422.574707	-422.573763	-422.615567	33.115
+C	 0.0106456533	 2.5494591204	-0.0147438446	-0.496862
+C	-0.6428718906	 1.1924549632	 0.0109474755	 0.206432
+C	-1.7398754567	 0.7667514661	 1.0541776294	-0.335316
+C	-2.0288000072	-0.3505914739	 0.0040703679	 0.420042
+O	-3.2587633263	-0.9926486491	-0.1046079139	-0.482582
+C	-1.6619794608	 0.6891820907	-1.0771577636	-0.303623
+C	-0.7458842366	-1.204058826	 0.0837974603	-0.407084
+C	 0.2621293554	-0.0340807607	 0.0894975039	 0.413715
+O	 1.4616306482	-0.0737632477	 0.1438136574	-0.338183
+H	 0.6187366651	 2.7031865708	 0.8823432187	 0.130908
+H	 0.6772994982	 2.6420463358	-0.8780624115	 0.13121
+H	-0.7333799521	 3.3498016228	-0.0675221965	 0.113899
+H	-1.4163781476	 0.4794036199	 2.0593963252	 0.096364
+H	-2.5473580656	 1.5008863358	 1.1033644092	 0.110723
+H	-3.3143855806	-1.6697507821	 0.5783589046	 0.280613
+H	-1.2717740312	 0.3305779113	-2.0338309108	 0.103658
+H	-2.4625673828	 1.4152038548	-1.2360048701	 0.112884
+H	-0.6657191791	-1.8041814406	 0.9971373975	 0.114727
+H	-0.6036793228	-1.8601446817	-0.7803921684	 0.128476
+19
+0 1768	2.5320022	1.8672628	1.3574598	0.384	74.01	-0.23409	0.07578	0.30987	1008.7314	0.155652	-422.516857	-422.508819	-422.507875	-422.548675	32.14
+C	 4.2692091325	-0.4344879879	 1.7161894743	-0.510679
+C	 3.2352930127	-0.1670886415	 0.6602746628	 0.376013
+C	 2.5008829056	 1.1775539123	 0.4486722104	-0.314102
+C	 1.4529008193	 0.1868216336	-0.1103428351	 0.375955
+C	-0.0305009957	 0.4190188105	-0.1427676446	-0.510652
+O	 1.9125496639	-0.7827584097	 0.9090240471	-0.364448
+C	 2.1649808144	-0.4023190762	-1.3649704213	-0.002815
+O	 3.3137765774	 0.3338837016	-1.8191058041	-0.252382
+C	 3.4799202298	-0.6634001263	-0.7964545451	-0.002851
+H	 4.5008043204	-1.5038968283	 1.7659801538	 0.129458
+H	 5.1933824061	 0.1047749281	 1.4851531006	 0.129812
+H	 3.9128767211	-0.114225012	 2.6986700285	 0.13021
+H	 2.1697385383	 1.588153764	 1.4030586209	 0.101476
+H	 2.9336773388	 1.9315111223	-0.2059706773	 0.11747
+H	-0.3942682091	 0.7452431713	 0.8350139792	 0.13015
+H	-0.2767174097	 1.1870069378	-0.8829292224	 0.129779
+H	-0.5578493673	-0.5011531305	-0.4165412099	 0.129548
+H	 1.650163379	-1.0141331914	-2.098178787	 0.10403
+H	 4.1236018026	-1.5052111877	-1.0287837906	 0.104028
+19
+0 1769	2.6028012	1.7649239	1.3290286	0.6959	73.84	-0.24445	0.06881	0.31326	1009.7161	0.156717	-422.5237	-422.515878	-422.514934	-422.555214	31.973
+C	 0.4231382078	 0.7557230206	-1.8396057997	-0.502399
+C	 1.6994409524	 0.4715527092	-1.08292776	 0.283158
+C	 3.1224724129	 0.5249752625	-1.7575382473	-0.288232
+C	 3.5095289363	-0.3126844461	-0.5006400902	 0.379449
+O	 4.7024787535	-1.0295070463	-0.5170979474	-0.486938
+C	 2.1005713736	-0.9613215495	-0.6165764877	-0.328752
+C	 3.2931742185	 0.7614588579	 0.5997809036	-0.053936
+O	 2.1237533143	 0.5859664203	 1.4186431749	-0.259745
+C	 2.0095370505	 1.3144998404	 0.184249995	 0.012073
+H	-0.456001639	 0.5478203116	-1.2197800602	 0.124931
+H	 0.370822477	 1.8064526649	-2.1483868477	 0.115833
+H	 0.3503041031	 0.140346724	-2.7419048018	 0.117337
+H	 3.1824045453	-0.0512465309	-2.6844905066	 0.102377
+H	 3.5949029044	 1.5043658159	-1.8816820505	 0.091696
+H	 4.7637082611	-1.5360167823	 0.3001339955	 0.282675
+H	 2.0665626783	-1.6718169487	-1.4447055104	 0.096895
+H	 1.6310092427	-1.3625140869	 0.2801877153	 0.11176
+H	 4.1231016276	 1.3116426754	 1.031730878	 0.10312
+H	 1.7137032997	 2.3559588779	 0.2665071573	 0.098699
+19
+0 1770	2.5450691	1.7817013	1.3247627	0.9801	73.99	-0.24799	0.07342	0.32141	1000.4778	0.157446	-422.530386	-422.522678	-422.521734	-422.561683	32.262
+O	-3.552884346	 0.6196456399	 2.2516696491	-0.48525
+C	-3.0178954815	 1.5162482878	 1.3296330317	 0.415151
+C	-3.049058349	 1.1278608078	-0.180254251	-0.315698
+C	-1.9511898166	 2.2579035877	-0.2348773055	 0.408903
+O	-1.0963279158	 2.4597343442	-1.3139078818	-0.487686
+C	-1.4818237939	 1.7185090253	 1.1453732778	-0.382583
+C	-2.8062753628	 3.4925442129	 0.099344085	-0.05252
+C	-2.7082870595	 4.1492227656	 1.4519491213	-0.322716
+C	-3.6039081153	 2.9460714891	 1.2678736661	-0.117025
+H	-3.4912809813	 1.0186740706	 3.1262083518	 0.279123
+H	-2.6556193305	 0.1243614944	-0.3687850968	 0.089515
+H	-3.9801657903	 1.29513079	-0.7273225983	 0.093737
+H	-0.628290154	 1.6369678237	-1.4883536338	 0.279041
+H	-0.9855255923	 0.7498501886	 1.0471876584	 0.092864
+H	-0.9146765185	 2.3585253131	 1.8218542815	 0.093319
+H	-3.2663522782	 4.0155593255	-0.7310358771	 0.094577
+H	-1.8030205108	 4.1047932243	 2.0449525209	 0.114385
+H	-3.2279923285	 5.0987011471	 1.5391180053	 0.11171
+H	-4.6816641853	 3.0468858123	 1.3355274053	 0.091151
+19
+0 1771	2.0955578	1.917933	1.2990115	2.9084	76.54	-0.23589	0.08504	0.32093	1061.7716	0.153896	-422.478364	-422.469422	-422.468478	-422.511354	33.835
+C	 4.6739424645	-0.8855142907	 0.1005844633	-0.51852
+C	 3.2966758008	-0.3071798254	 0.1033739604	 0.286845
+C	 2.5562167106	 0.5633644164	 1.1556585463	-0.299707
+C	 1.5071393344	 0.1122704399	 0.1023876814	 0.286847
+C	 0.0163332193	 0.2061825028	 0.0980090411	-0.518521
+O	 2.1334747403	-1.2426073426	 0.1402903496	-0.381058
+C	 2.5361413789	 0.4726892917	-0.9817813359	 0.491807
+C	 2.7906776137	 1.5564773889	-1.9187341978	-0.31255
+O	 2.4742225145	 0.2053401348	-2.348427697	-0.287795
+H	 4.8293646462	-1.5144936722	 0.9818548976	 0.136144
+H	 4.8248424493	-1.4944528079	-0.7955865632	 0.145124
+H	 5.4223251385	-0.086745432	 0.1089017478	 0.125987
+H	 2.4419849404	 0.0782833516	 2.1258705102	 0.106518
+H	 2.8052912729	 1.6261838343	 1.2274975296	 0.092202
+H	-0.4033257673	-0.2880400145	 0.9789398564	 0.136145
+H	-0.2991653409	 1.2543131453	 0.1057782358	 0.125987
+H	-0.3884967296	-0.2724623816	-0.7984904478	 0.145124
+H	 2.0196451895	 2.2966380693	-2.1270762064	 0.119711
+H	 3.8105179141	 1.876881182	-2.1261038613	 0.119711
+19
+0 1772	2.1608526	1.8577049	1.2970316	2.5489	76.12	-0.24993	0.07573	0.32566	1049.2122	0.155316	-422.494392	-422.485729	-422.484785	-422.526972	33.473
+C	-0.0502712077	-0.2032788271	 0.3623518712	-0.513042
+C	 1.4290210438	-0.0094157928	 0.1924961518	 0.215124
+C	 2.5182618375	-1.1182027932	-0.0270181217	-0.336707
+C	 3.3001413196	 0.2397593538	-0.052852536	 0.295065
+O	 4.6327626296	 0.4769096905	-0.3023307172	-0.469095
+C	 2.4323624206	 0.6785403287	 1.1747501167	-0.32839
+C	 2.1596188282	 0.768518227	-0.918146145	 0.484696
+C	 1.911084006	 1.9561460464	-1.7162103545	-0.323433
+O	 1.9920042088	 0.6276130733	-2.3036966673	-0.30973
+H	-0.2707833919	-0.8514020894	 1.2167263583	 0.121986
+H	-0.5566423644	 0.7538116767	 0.5283995396	 0.120693
+H	-0.4839655797	-0.6632687351	-0.5317201228	 0.132871
+H	 2.7088741351	-1.7684980127	 0.8323731815	 0.083169
+H	 2.470001836	-1.674702603	-0.9649367386	 0.114716
+H	 5.1605385654	-0.0041014895	 0.3437100921	 0.286467
+H	 2.6194800227	 0.1377035342	 2.1065090361	 0.0879
+H	 2.3103604065	 1.7521040977	 1.340469212	 0.095331
+H	 0.9203916684	 2.4077079376	-1.743502663	 0.115538
+H	 2.7335420855	 2.6197702471	-1.9772703634	 0.126844
+19
+0 1773	2.1258619	1.8768508	1.3086895	2.4522	76.29	-0.24554	0.06819	0.31373	1037.0064	0.155507	-422.496234	-422.487535	-422.486591	-422.528815	34.025
+O	 0.4030164804	 2.4043635532	-2.396259813	-0.475825
+C	 0.3545656632	 2.9585329356	-1.1354124881	 0.326211
+C	 1.5107262182	 3.1192786491	-0.0913856329	-0.361752
+C	 0.253458192	 3.8370702301	 0.5057471332	 0.326134
+O	 0.1529047356	 4.5776522518	 1.663595535	-0.475822
+C	-0.6035869595	 2.6071941579	 0.0524835467	-0.361664
+C	 0.0150037521	 4.4308143947	-0.8856339713	 0.387734
+C	-1.0300452856	 5.331829565	-1.4327785189	-0.381441
+C	 0.4552754116	 5.6915099445	-1.5338104698	-0.381438
+H	 0.6355104593	 1.4737076918	-2.3165485553	 0.286113
+H	 1.8378857222	 2.2060223566	 0.4176704353	 0.074981
+H	 2.3459093141	 3.7593021552	-0.3825412369	 0.101936
+H	 0.3441902205	 4.0061551076	 2.4141497897	 0.286113
+H	-0.410631796	 1.661438728	 0.5706639715	 0.074973
+H	-1.6681703459	 2.7871205952	-0.1094131609	 0.101934
+H	-1.5397247499	 5.0430011467	-2.3467807935	 0.117962
+H	-1.6388219252	 5.9041037798	-0.7396044957	 0.117954
+H	 0.9189210974	 5.63837148	-2.5140172908	 0.117953
+H	 0.8196260655	 6.4994291172	-0.9068228744	 0.117945
+19
+0 1774	2.0931401	1.7264535	1.1622994	1.2785	77.11	-0.23505	-0.03533	0.19972	1121.6399	0.153615	-422.516323	-422.507068	-422.506124	-422.550096	34.209
+C	-0.3334668301	-0.526729255	-2.8045613785	-0.521286
+C	-0.2873167712	 0.4852239702	-1.705816599	 0.411308
+C	 0.2166497284	 1.9515449715	-1.7253504934	-0.311811
+C	-0.5206807461	 1.7037106164	-0.3891316743	 0.387185
+C	-0.9347875808	 2.6569459639	 0.6864536608	-0.5135
+O	-1.5752606292	 0.9886384268	-1.138338773	-0.372483
+C	 0.2220636562	 0.3133938192	-0.2479648405	-0.156116
+C	 1.6778738236	 0.2291305135	 0.0990275866	 0.117602
+O	 2.5936528353	 0.311068782	-0.685183514	-0.256837
+H	-0.8679224925	-1.4250909074	-2.4812158078	 0.131275
+H	-0.8404166836	-0.115751843	-3.6826153862	 0.13409
+H	 0.6858950127	-0.8069482431	-3.0860645852	 0.145272
+H	 1.2928430298	 2.1216829233	-1.7149713991	 0.123837
+H	-0.3228482445	 2.6028482323	-2.4149462399	 0.102601
+H	-1.5227865365	 2.1439933519	 1.4532881223	 0.135098
+H	-0.0559424141	 3.1056955861	 1.1594866513	 0.131
+H	-1.5450179247	 3.4592908652	 0.2604071627	 0.139824
+H	-0.3694444982	-0.3852936978	 0.3520016099	 0.092192
+H	 1.8781654755	 0.075764024	 1.1849633173	 0.08075
+19
+0 1775	1.9679408	1.6333608	1.07301	2.9587	77.67	-0.24113	-0.02466	0.21647	1170.9638	0.155162	-422.529717	-422.520735	-422.519791	-422.563264	33.859
+C	-1.2500194881	 0.3835498242	-1.9775822348	-0.506465
+C	-0.6613482619	-0.7219413138	-1.1450537096	 0.308322
+C	-1.4416856691	-1.806485982	-0.3369537652	-0.320713
+C	 0.0700694921	-2.0982896591	-0.1085351805	 0.383179
+O	 0.6589112296	-3.1269668998	 0.5908690637	-0.460178
+C	 0.2825307008	-1.8747182107	-1.6190018036	-0.310443
+C	 0.2476407554	-0.5430003675	 0.1316082041	-0.166774
+C	 1.596324491	 0.0971995467	 0.0464410215	 0.124053
+O	 2.0113980998	 0.8670898359	 0.8810353462	-0.262616
+H	-1.8750996171	 1.0440960884	-1.3678202346	 0.127761
+H	-0.4676704839	 0.9941165174	-2.4401747201	 0.127318
+H	-1.8737365596	-0.0265594655	-2.7790007822	 0.125708
+H	-2.0174560823	-1.4535325249	 0.5234840922	 0.091779
+H	-1.9934955228	-2.5442783594	-0.9260401031	 0.096457
+H	 0.3548521305	-3.0964835299	 1.5048431629	 0.289225
+H	 1.2823166911	-1.6129492239	-1.965309803	 0.104458
+H	-0.1743676569	-2.6202372626	-2.2754084404	 0.098587
+H	-0.2705313774	-0.1494302707	 1.0120423077	 0.076093
+H	 2.2264939389	-0.1672359128	-0.8291967611	 0.074248
+19
+0 1776	2.6250571	1.7058397	1.245875	2.6461	75.51	-0.23626	0.0142	0.25046	1030.9178	0.157009	-422.569077	-422.561068	-422.560124	-422.600636	32.973
+O	-4.0880189499	-0.3327977183	 0.0173431386	-0.486934
+C	-2.9676764509	 0.2856732741	 0.595814261	 0.409927
+C	-1.730574295	-0.5821930765	 0.984311821	-0.341124
+C	-0.894163353	 0.6657485798	 0.5520279322	 0.387923
+O	 0.3619295744	 0.5016849097	-0.0490569328	-0.494069
+C	-2.0521843448	 1.0114856013	-0.4187726903	-0.280586
+C	-0.9241290295	 1.6654459066	 1.6953829643	-0.140897
+C	-2.095754512	 1.926673266	 2.2735815863	-0.069506
+C	-3.334116034	 1.2279028705	 1.7579588831	-0.323697
+H	-4.5994032651	-0.7499741834	 0.7196884566	 0.273405
+H	-1.6339409954	-0.9376568549	 2.0137849713	 0.082823
+H	-1.6067651124	-1.400009506	 0.2703399853	 0.105505
+H	 0.983644426	 0.2105167578	 0.6269364506	 0.274857
+H	-2.2403155291	 2.063619676	-0.640884201	 0.097563
+H	-1.9759754119	 0.4264257059	-1.3380425315	 0.113625
+H	 0.0049084853	 2.1460644229	 1.9881442888	 0.087915
+H	-2.1950157554	 2.6345507352	 3.090559012	 0.094136
+H	-3.8162762709	 0.6539138249	 2.5651030275	 0.093671
+H	-4.0802663563	 1.9566847682	 1.413071677	 0.115463
+19
+0 1777	2.5443458	1.6375079	1.3285881	2.4855	75.87	-0.22114	-0.01477	0.20637	1052.8592	0.155488	-422.561308	-422.552462	-422.551517	-422.594271	33.249
+C	-0.7284179524	-2.4961530074	-0.2372536275	-0.502251
+C	-0.9445423281	-1.0254890847	 0.0031470938	 0.139811
+C	-1.6304905114	-0.0346234963	-1.0111088315	-0.32449
+C	-0.9561140381	 1.0652166257	-0.1315649629	 0.30615
+C	-0.8084378192	 2.5130838305	-0.4833614381	-0.496943
+O	-1.6137297963	 0.881702101	 1.139825629	-0.310476
+C	-1.6319623218	-0.5587959514	 1.2991108371	-0.109697
+C	 0.1915056696	 0.0284858308	-0.0346832685	 0.385014
+O	 1.3801323702	 0.0087789605	-0.1503093569	-0.323644
+H	-0.1320358789	-2.9368884512	 0.5686680889	 0.132665
+H	-1.6788884798	-3.0383650739	-0.2863876045	 0.122824
+H	-0.1916281884	-2.6644563897	-1.1755591754	 0.13209
+H	-1.2270736965	-0.1032067273	-2.0237150186	 0.116904
+H	-2.723038291	-0.0213418936	-1.0113309406	 0.113757
+H	-0.2351091895	 3.0313602987	 0.2904712743	 0.14154
+H	-0.2807773008	 2.6210396612	-1.434745331	 0.130048
+H	-1.7872301179	 2.9949160023	-0.5660575728	 0.131307
+H	-1.0794358588	-0.8478868287	 2.2015529509	 0.111228
+H	-2.6673493709	-0.9108407264	 1.3877523442	 0.104161
+19
+0 1778	2.4888624	1.6496332	1.317947	2.1623	75.03	-0.23075	-0.0066	0.22415000000000002	1044.4251	0.15666	-422.577913	-422.569253	-422.568309	-422.610584	33.177
+C	-0.7203817328	 2.413017543	-0.4857042329	-0.494285
+C	-1.078198901	 1.0150696304	-0.0522828788	 0.195616
+C	-1.6095690157	-0.0927021218	-1.0310712154	-0.336633
+C	-1.1198418987	-1.0998074226	 0.0918074889	 0.315278
+O	-0.8615472838	-2.4401813083	-0.1067770982	-0.483587
+C	-2.0712590182	-0.7493179197	 1.2473593493	-0.259283
+C	-2.0372683912	 0.8137630304	 1.1506485421	-0.25818
+C	-0.012497368	-0.0530272285	 0.2527523474	 0.333783
+O	 1.1855329328	-0.1057880497	 0.2808409186	-0.344765
+H	-0.2718012708	 2.9710202218	 0.3432633785	 0.127966
+H	 0.0034269988	 2.3999899653	-1.3062887812	 0.127587
+H	-1.6051239169	 2.9656686808	-0.8195698591	 0.119698
+H	-2.6841798824	-0.0882454234	-1.2288029376	 0.108353
+H	-1.0351892122	-0.1683727515	-1.9566691278	 0.111448
+H	 0.0452077009	-2.5212711036	-0.4275643505	 0.294247
+H	-3.0679985088	-1.1651612647	 1.0783495858	 0.111879
+H	-1.7006815921	-1.1316231793	 2.2017187992	 0.114736
+H	-3.0225753992	 1.2400701271	 0.9400525563	 0.10617
+H	-1.6554484908	 1.2844377642	 2.0610824254	 0.10997
+19
+0 1779	2.4016271	1.6820202	1.3698167	2.3282	75.62	-0.2379	-0.00633	0.23157	1048.2925	0.155477	-422.571315	-422.562416	-422.561472	-422.604356	33.37
+C	-0.8470692525	 2.3945438165	-0.6124859895	-0.498856
+C	-0.9565829939	 1.0398661358	 0.0189955838	 0.29859
+C	-1.7750599144	 0.8216135641	 1.3086289923	-0.265756
+C	-1.7221151123	-0.7393560999	 1.3691444111	-0.265756
+C	-0.8873722291	-1.0008060968	 0.0981053903	 0.298591
+C	-0.6848055559	-2.3897366064	-0.4270162087	-0.498856
+O	-1.4768776634	-0.0345474374	-0.8509426416	-0.366014
+C	 0.227857737	 0.0642300298	 0.2056556446	 0.363052
+O	 1.4192456665	 0.1029018826	 0.1609149464	-0.324926
+H	-0.3720223019	 3.0909597182	 0.0852718351	 0.134772
+H	-0.24234822	 2.3522818673	-1.5217484834	 0.140456
+H	-1.8368963176	 2.7875762857	-0.865715283	 0.131296
+H	-1.322320257	 1.3074881247	 2.1776705199	 0.111282
+H	-2.7927455234	 1.2016646816	 1.1889212735	 0.112161
+H	-1.2398206627	-1.1248257757	 2.2719655121	 0.111282
+H	-2.7114387163	-1.1955049989	 1.281854786	 0.112161
+H	-0.1655487048	-2.9963672726	 0.3212499922	 0.134772
+H	-1.6451073554	-2.8672425594	-0.6464829834	 0.131295
+H	-0.0819598227	-2.3770961193	-1.3384157476	 0.140456
+19
+0 1780	4.2740602	1.0762583	1.0692293	2.5584	76.57	-0.23574	0.08375	0.31949	1215.9568	0.155277	-422.475669	-422.467193	-422.466249	-422.50897	32.046
+C	-3.7488296659	-1.1117759787	 1.7737281711	-0.508701
+C	-2.3704695046	-0.5574196498	 1.6019684214	 0.398336
+C	-1.8315320182	 0.8737045679	 1.8768433786	-0.30249
+C	-0.7597125799	 0.0691358243	 1.0982697303	 0.433741
+C	-1.0004387142	-1.1405307413	 2.0381172851	-0.294441
+O	-1.8313811104	-0.4452087867	 0.2134832295	-0.370508
+C	 0.5037952078	 0.5489292666	 0.4789354968	-0.101198
+C	 0.6088746901	 0.7474978895	-0.9719141654	-0.170927
+O	 1.2064050261	-0.3867608652	-0.3390518519	-0.230309
+H	-4.0171716076	-1.1365240126	 2.8345602685	 0.126923
+H	-4.4805885754	-0.4934844625	 1.2451440157	 0.133276
+H	-3.8032757615	-2.1304631906	 1.3783587862	 0.136032
+H	-2.3169524895	 1.6680521261	 1.3075579293	 0.104364
+H	-1.617207627	 1.154222231	 2.9116841351	 0.092372
+H	-0.7472062437	-2.108476253	 1.6049700414	 0.11559
+H	-0.7100055581	-1.0449043999	 3.0876695331	 0.091025
+H	 1.1377025736	 1.1396570522	 1.142207408	 0.096021
+H	-0.2585871635	 0.5287250489	-1.5897354784	 0.137194
+H	 1.3052437018	 1.4871889838	-1.3642622143	 0.113698
+19
+0 1781	4.4818689	1.0096536	1.0032409	2.2756	76.09	-0.25837	0.07801	0.33638	1239.3741	0.156566	-422.492203	-422.483969	-422.483025	-422.525195	31.721
+O	-3.641528668	-1.1351219478	 1.8638920781	-0.467307
+C	-2.4103139665	-0.6096201134	 1.5287151227	 0.392724
+C	-1.8075648862	-0.7313510704	 0.111809716	-0.298956
+C	-0.7654960646	 0.0624012148	 0.9590975929	 0.370066
+C	-1.958026641	 0.8864761106	 1.536717369	-0.335263
+C	-1.0068362187	-0.9750793755	 2.10211209	-0.330535
+C	 0.5493626493	 0.5923712962	 0.5142828281	-0.081734
+C	 0.8391345113	 0.906795861	-0.8914465644	-0.180383
+O	 1.3542183053	-0.2802601779	-0.2873628459	-0.234632
+H	-3.8017188202	-0.9682774582	 2.798976355	 0.282704
+H	-1.5092498738	-1.7308121852	-0.2112651707	 0.106034
+H	-2.3188554092	-0.1781939303	-0.6806342854	 0.092123
+H	-1.8008135223	 1.3526125839	 2.5142712441	 0.085472
+H	-2.4695708819	 1.5581850567	 0.8421803616	 0.095236
+H	-0.6478635045	-1.9904859548	 1.9186694459	 0.104407
+H	-0.7835710227	-0.6382861349	 3.1192254274	 0.083671
+H	 1.1124841177	 1.1312248508	 1.2790561489	 0.088148
+H	 0.0693155649	 0.7499340386	-1.6450353626	 0.114042
+H	 1.5782296708	 1.6701541961	-1.1313746307	 0.114182
+19
+0 1782	3.6010471	1.2211118	1.0977711	1.8113	76.62	-0.24778	-0.0303	0.21748	1152.3307	0.156242	-422.555792	-422.547425	-422.546481	-422.588698	31.871
+C	 0.6658873873	 0.7617748113	-1.9806140654	-0.489531
+C	 1.9551374995	 0.382808264	-1.3104150688	 0.429036
+C	 3.1798090637	-0.2546101248	-2.0238910198	-0.301506
+C	 3.6203950256	-0.4842421977	-0.5515810991	 0.19301
+C	 2.0977188463	-0.7284843048	-0.2332284587	-0.310261
+C	 3.7362374948	 0.9766008696	-0.0688370484	-0.121335
+O	 2.5381657042	 1.527426846	-0.6446430585	-0.305201
+C	 4.6581185808	-1.4673398721	-0.1325884307	 0.038863
+O	 5.3048083049	-2.1483332989	-0.8898508171	-0.245939
+H	-0.0470436635	 1.1522344201	-1.2479995834	 0.130485
+H	 0.8410970733	 1.5375939798	-2.732151796	 0.132765
+H	 0.2203859288	-0.1061600557	-2.4741046798	 0.121147
+H	 2.9543774761	-1.1886216173	-2.5395090075	 0.114242
+H	 3.7908616775	 0.4015208846	-2.6472957414	 0.10655
+H	 1.7577903062	-1.7099137608	-0.5675899665	 0.11382
+H	 1.7358107928	-0.500649875	 0.7720683385	 0.10621
+H	 3.7222062254	 1.0795165586	 1.0230383271	 0.104448
+H	 4.6209731017	 1.4867377354	-0.4667550867	 0.111869
+H	 4.7945818247	-1.5528705322	 0.9714500022	 0.071326
+19
+0 1783	3.4485358	1.2731245	1.0982723	2.964	76.07	-0.25073	-0.03305	0.21768	1146.64	0.155862	-422.553804	-422.545247	-422.544303	-422.588666	31.999
+C	 0.162351622	-1.4768419501	-1.2550811264	-0.50133
+C	 1.5814911465	-1.0724742166	-0.9384922574	 0.263833
+C	 2.8058269244	-2.0400805415	-1.0693646051	-0.297133
+C	 3.4682724761	-0.9287325122	-0.2078886081	 0.350723
+C	 2.0980325612	-0.7952518231	 0.5136548933	-0.297135
+O	 3.4955088328	 0.2041988165	-1.086644588	-0.324643
+C	 2.164264527	 0.1630223627	-1.6494719538	-0.107474
+C	 4.7704593851	-1.1023688295	 0.5108295298	 0.061848
+O	 4.9724836834	-1.9907297613	 1.3003019714	-0.262122
+H	-0.130821564	-2.3650725302	-0.6871845746	 0.124008
+H	-0.5419660653	-0.6740312743	-1.0085169534	 0.122353
+H	 0.0448878731	-1.7064706794	-2.320367338	 0.122357
+H	 2.6752246625	-2.9747376919	-0.5232273026	 0.119846
+H	 3.2340647085	-2.2113658727	-2.060116147	 0.10357
+H	 1.9032826335	-1.6170822626	 1.2032717907	 0.119846
+H	 1.8786010419	 0.1725261655	 0.9714428388	 0.103568
+H	 1.627441881	 1.0900854622	-1.4147505446	 0.102207
+H	 2.2194350606	 0.0489214301	-2.7388091166	 0.102206
+H	 5.5436194898	-0.3443743315	 0.2594855115	 0.093472
+19
+0 1784	3.7162351	1.2341774	1.097772	2.9498	75.92	-0.25371	-0.03556	0.21814999999999998	1150.5467	0.155905	-422.561652	-422.553149	-422.552205	-422.594741	32.191
+C	 0.0003716058	 0.3766472547	-0.0083476518	-0.496809
+C	 1.4773422061	 0.1085978971	-0.0435086988	 0.41184
+C	 2.5502692272	 1.09681532	 0.480412036	-0.307078
+C	 3.2614627722	-0.2701928649	 0.6867388449	 0.331401
+C	 3.5469762391	-0.7446675844	-0.7537239261	-0.259417
+C	 2.1261054115	-0.4587631956	-1.330696614	-0.253708
+O	 1.9548769563	-0.8547246034	 0.9666964965	-0.364461
+C	 4.2795133179	-0.4523936991	 1.769561499	 0.051889
+O	 5.4693838773	-0.4093308671	 1.582249644	-0.251417
+H	-0.310931035	 0.7312095283	 0.9778997737	 0.128739
+H	-0.2653475591	 1.135230963	-0.7518789839	 0.125418
+H	-0.5584415666	-0.5360250833	-0.2398613145	 0.132783
+H	 3.0009830953	 1.8238134367	-0.1992006976	 0.105667
+H	 2.2550848742	 1.5527684012	 1.4265853191	 0.112225
+H	 4.3474457387	-0.1762249048	-1.2304852964	 0.116915
+H	 3.8114633647	-1.8032485973	-0.7734984593	 0.11523
+H	 2.1240084582	 0.2589019997	-2.1555894935	 0.101324
+H	 1.6134299993	-1.3662792296	-1.657369333	 0.109159
+H	 3.8432321771	-0.6054710311	 2.7813256957	 0.090301
+19
+0 1785	3.3592121	1.2433027	1.0872854	1.6901	75.93	-0.24841	-0.0245	0.22391	1130.1145	0.157156	-422.570294	-422.562082	-422.561138	-422.60298	31.916
+O	 0.5811857654	 4.5394922741	-1.6177990669	-0.482286
+C	 0.7869295382	 3.1895428705	-1.3649376213	 0.415055
+C	 0.2630419911	 2.4506173151	-0.095391244	-0.330102
+C	 1.292219825	 1.3853434085	-0.5522599706	 0.260647
+C	 2.1885371887	 2.579501137	-1.0372977744	-0.334143
+C	 0.6983729111	 0.895748267	-1.8994024436	-0.277088
+C	 0.3013991375	 2.2787266706	-2.5036254184	-0.237535
+C	 1.8678791806	 0.3735065239	 0.3779786869	 0.047275
+O	 1.6350879225	 0.3089213463	 1.5602253915	-0.252951
+H	 0.8564992794	 5.0424067943	-0.8445202507	 0.281652
+H	 0.56354415	 2.9322182897	 0.8379697049	 0.105822
+H	-0.7913342698	 2.1651534872	-0.0572224144	 0.099896
+H	 2.6849630531	 3.0842927138	-0.2044850004	 0.103816
+H	 2.8882547191	 2.4027945605	-1.858534969	 0.100656
+H	 1.4345231958	 0.3600827876	-2.5057676111	 0.105118
+H	-0.1610779545	 0.2370078495	-1.7490622039	 0.111166
+H	 0.8110598301	 2.5030152998	-3.4440849913	 0.107032
+H	-0.774560289	 2.3800773936	-2.6659158082	 0.108808
+H	 2.5737807457	-0.344202779	-0.1041400749	 0.067163
+19
+0 1786	3.4051344	1.4310429	1.2123217	2.6741	75.37	-0.24169	-0.01438	0.22730999999999998	1065.8394	0.15678	-422.571134	-422.562943	-422.561999	-422.603939	31.544
+C	-4.2592997849	-0.4807974069	 0.0229790875	-0.459133
+C	-2.7492505148	-0.4323026319	 0.0114114961	 0.427177
+C	-1.9424415407	-1.1741775858	-1.0925178075	-0.281412
+C	-0.8039548411	-1.3136229992	-0.0313944188	-0.135883
+C	-1.924107669	-1.237978033	 1.0554278487	-0.281364
+C	-0.0614659546	-0.0032221498	 0.0012772205	 0.382845
+O	 1.1383879022	 0.1220618922	-0.0048167544	-0.328057
+C	-0.986926523	 1.2227230686	 0.0451444866	-0.183246
+O	-2.382270295	 0.9458375919	 0.0492839251	-0.308991
+H	-4.6487154828	-0.0029159048	 0.9270099997	 0.128387
+H	-4.6640010889	 0.0513949794	-0.8431986502	 0.128398
+H	-4.6107670209	-1.5158661694	-0.0057096744	 0.113047
+H	-2.377150225	-2.1483915809	-1.3279285113	 0.110821
+H	-1.7342545231	-0.630198637	-2.0174527485	 0.110222
+H	-0.1211771129	-2.162156501	-0.0624130114	 0.085523
+H	-2.3552074633	-2.2246713837	 1.2400236523	 0.110818
+H	-1.6999052732	-0.7496847664	 2.0073005715	 0.110232
+H	-0.7281406939	 1.8015031481	 0.9413798351	 0.13532
+H	-0.7434745351	 1.8527649595	-0.8203160264	 0.135293
+19
+0 1787	3.4891673	1.4121224	1.2084481	4.7166	75.14	-0.25726	0.01898	0.27624	1068.6413	0.158468	-422.596802	-422.588973	-422.588028	-422.628761	30.617
+C	-4.2785381139	-0.4404889812	-0.0052870362	-0.482666
+C	-2.7619915584	-0.378375726	 0.0011419261	 0.285371
+C	-1.9470327945	-1.1085600644	-1.105124011	-0.266915
+C	-0.8263020363	-1.2485721926	-0.0351197718	-0.151417
+C	-1.95205202	-1.2091554578	 1.0379945658	-0.266954
+C	-0.050236869	 0.0482937419	 0.0279322615	 0.433087
+O	 1.1448594248	 0.1455856003	 0.0337643679	-0.339201
+O	-0.82038542	 1.171352327	 0.0781301437	-0.24336
+C	-2.2566799227	 1.0625731784	 0.0697222069	-0.094752
+H	-4.7008273719	 0.0084697931	 0.9011212216	 0.122758
+H	-4.6967772079	 0.0918345153	-0.8673630234	 0.122749
+H	-4.6214418059	-1.4785865497	-0.0550065324	 0.121091
+H	-2.3814414512	-2.0813050907	-1.3501261195	 0.106074
+H	-1.7187052463	-0.5658603544	-2.0267033401	 0.110803
+H	-0.1345612237	-2.0876709753	-0.0729332127	 0.094847
+H	-2.3873134575	-2.2005133353	 1.1887445047	 0.106041
+H	-1.7281841908	-0.7552132445	 2.0074198784	 0.110765
+H	-2.6169055817	 1.5552865018	 0.9808795522	 0.115819
+H	-2.612814963	 1.6381981541	-0.7931598016	 0.115859
+19
+0 1788	3.4011719	1.4247124	1.2114455	3.1799	74.52	-0.22681	-0.01709	0.20972000000000002	1069.246	0.157266	-422.578842	-422.57076	-422.569816	-422.611247	31.345
+C	-4.2286018844	-0.7339919777	 0.1799170175	-0.471669
+C	-2.7482644609	-0.4446888318	 0.2511691287	 0.415192
+C	-1.8473699218	-1.298562186	 1.1779325495	-0.294931
+C	-0.8924769649	-1.2406401668	-0.0335474031	-0.014347
+O	-2.0136148433	-0.9662243789	-0.9119315238	-0.32663
+C	-0.0551569332	 0.0258792096	 0.0929557388	 0.400281
+O	 1.1383830601	 0.0273379433	 0.2675694933	-0.319118
+C	-0.9131181523	 1.2880187652	-0.0100863887	-0.31153
+C	-2.3944971928	 1.0469491606	 0.3861075578	-0.264506
+H	-4.7323185999	-0.3779168511	 1.0851563938	 0.122556
+H	-4.6767735816	-0.2266069939	-0.6806042862	 0.130075
+H	-4.4082756542	-1.8075433318	 0.0791193849	 0.125134
+H	-1.5163720415	-0.8687512103	 2.1263989198	 0.110976
+H	-2.2442335098	-2.3033928103	 1.3340991937	 0.114618
+H	-0.3053684822	-2.1138125556	-0.3220246541	 0.096424
+H	-0.4406819288	 2.0879693529	 0.5639986131	 0.125524
+H	-0.8667380697	 1.5860247657	-1.0639513651	 0.145759
+H	-2.5809453836	 1.3683537091	 1.4170176946	 0.108587
+H	-3.052327035	 1.6415115176	-0.2554130043	 0.107606
+19
+0 1789	3.333317	1.3862938	1.1778543	2.9279	74.65	-0.23676	-0.00891	0.22785	1061.4563	0.157915	-422.5878	-422.579793	-422.578849	-422.620182	31.497
+O	-4.1552144217	-0.7258867163	-0.0010712122	-0.485445
+C	-2.7753968194	-0.4758532337	 0.0527817989	 0.426816
+C	-1.9573287635	-1.2330183519	-1.0126611968	-0.264424
+C	-0.7998185384	-1.2781330409	 0.0383861054	-0.123823
+C	-1.9058134618	-1.1845488202	 1.1344042094	-0.302093
+C	-0.0443799331	 0.0294500206	-0.0520024998	 0.415032
+O	 1.1436844909	 0.1039415754	-0.2538469867	-0.330732
+C	-0.9175485489	 1.2773580717	 0.1479265124	-0.324687
+C	-2.4384865649	 1.0214347992	-0.0004584355	-0.282792
+H	-4.5994903704	-0.1399147805	 0.6214366988	 0.275981
+H	-2.3686179629	-2.2311268774	-1.1783305488	 0.118658
+H	-1.775746487	-0.743790762	-1.9736764752	 0.104468
+H	-0.1161410409	-2.1256257741	 0.0320536327	 0.087659
+H	-2.3107610297	-2.1733558357	 1.3608613472	 0.114789
+H	-1.6785594046	-0.656001103	 2.0649346362	 0.094573
+H	-0.6886212069	 1.6327823369	 1.1600683243	 0.13698
+H	-0.5571658624	 2.0576327003	-0.526371926	 0.133332
+H	-2.9838754139	 1.5410286841	 0.798286691	 0.089908
+H	-2.8107576506	 1.4215055374	-0.9494455754	 0.115798
+19
+0 1790	3.0773083	1.4038571	1.2291864	3.3197	75.96	-0.24076	-0.02583	0.21493	1084.3189	0.15628	-422.553256	-422.545087	-422.544143	-422.585896	31.338
+C	-1.2188857155	 3.8669089875	 0.2351522216	-0.49382
+C	-0.2721626111	 2.8774989459	-0.3793146743	 0.447635
+C	 1.2663111802	 3.0538605766	-0.4811329456	-0.275492
+C	 1.104442009	 1.8238494624	-1.4290747452	-0.098129
+C	-0.2413218721	 2.4694448995	-1.8785010839	-0.269088
+C	 0.5531669511	 0.7835730474	-0.4182788126	 0.036587
+O	-0.3918297291	 1.5891835632	 0.2827956954	-0.304497
+C	 1.6306179601	 0.1997174367	 0.4733859041	 0.139202
+O	 1.8974707112	 0.5731267356	 1.5847113282	-0.237589
+H	-0.9961760681	 3.9964334574	 1.2984711468	 0.137101
+H	-1.1336280223	 4.8379449244	-0.2603594688	 0.118006
+H	-2.2520828088	 3.5180801457	 0.1436870799	 0.129215
+H	 1.5616642914	 3.954195891	-1.0222972084	 0.101271
+H	 1.8391300835	 2.9353763279	 0.4397970428	 0.127126
+H	 1.8733264751	 1.4976719538	-2.1277631106	 0.081172
+H	-0.0926760564	 3.3148229845	-2.5528511025	 0.104107
+H	-1.0398575019	 1.8149767732	-2.2375148298	 0.099998
+H	 0.0509192851	-0.0509166322	-0.931624386	 0.086293
+H	 2.1994065787	-0.6275226506	-0.015501781	 0.070903
+19
+0 1791	3.8361503	1.1189249	1.0483154	3.5196	76.12	-0.24117	-0.02023	0.22094	1200.1404	0.156504	-422.560043	-422.551749	-422.550805	-422.592993	31.52
+C	 4.4940341706	 1.0045353615	-3.5455040141	-0.496043
+C	 3.2215421577	 0.7763635374	-2.7815872203	 0.419067
+C	 1.803258419	 0.823873857	-3.4051336781	-0.271886
+C	 1.50678148	 1.2474696538	-1.9552767541	 0.0502
+O	 2.8117951195	 1.8901986933	-1.9080049565	-0.325822
+C	 1.7492097301	-0.0589275617	-1.1395748792	-0.07151
+C	 3.128433566	-0.4137405327	-1.7948270766	-0.288252
+C	 1.847920347	 0.2028537308	 0.3413256339	 0.145628
+O	 1.2049221231	-0.3709178915	 1.1844022368	-0.258697
+H	 5.3393138281	 1.1156431094	-2.8585125195	 0.132651
+H	 4.6996111532	 0.1535629366	-4.2029962553	 0.126122
+H	 4.4254146283	 1.9079468851	-4.1571648551	 0.13142
+H	 1.6949605476	 1.6580953646	-4.0994455245	 0.113127
+H	 1.3591564283	-0.0932473926	-3.800632485	 0.098532
+H	 0.6767601563	 1.8931925378	-1.6701378849	 0.09156
+H	 0.9775026802	-0.8126220984	-1.3110547226	 0.090242
+H	 3.9549686994	-0.3889488649	-1.0787802068	 0.11346
+H	 3.1221568411	-1.3907313111	-2.2838064659	 0.110785
+H	 2.5817730245	 0.9948172756	 0.6100988078	 0.089414
+19
+0 1792	3.820497	1.0870562	1.0155039	2.2258	75.81	-0.24601	-0.0233	0.22271000000000002	1204.4342	0.157272	-422.566106	-422.557924	-422.556979	-422.599002	31.569
+O	 3.5063377845	 1.1785186822	-3.9814762581	-0.482862
+C	 2.9274695693	 1.4080582691	-2.7379352733	 0.430816
+C	 2.1581527649	 2.7318767432	-2.5174490566	-0.260121
+C	 2.3697496457	 2.3637721276	-1.0203647607	-0.048709
+C	 3.7447837788	 1.7818460929	-1.4591511891	-0.299108
+C	 1.4629874147	 1.1020051032	-0.894860816	-0.0535
+C	 1.9385124974	 0.3545394005	-2.1874324235	-0.318057
+C	 1.6677184847	 0.3218683003	 0.3785283061	 0.145498
+O	 0.814477933	 0.1289483507	 1.2072344923	-0.25351
+H	 3.873685185	 0.2880196383	-3.9917402592	 0.280827
+H	 2.7465889898	 3.6002464304	-2.8201357418	 0.109262
+H	 1.1353928683	 2.8061314617	-2.8973042504	 0.096483
+H	 2.2854578921	 3.1088744971	-0.2315912488	 0.080648
+H	 4.4761542818	 2.5658592839	-1.6642835313	 0.108931
+H	 4.2025794835	 0.9819056219	-0.8709993971	 0.090282
+H	 0.4056068639	 1.3743095571	-0.9401563883	 0.09328
+H	 2.4386980338	-0.5964135774	-1.9660335459	 0.094906
+H	 1.1157022343	 0.1529778369	-2.8774681836	 0.116056
+H	 2.6969800443	-0.0831166898	 0.5215610053	 0.068879
+19
+0 1793	3.7373877	1.3169992	1.2426825	3.1183	75.08	-0.24063	0.08115	0.32178	1081.5028	0.156682	-422.524123	-422.516306	-422.515362	-422.556002	31.053
+C	-0.0438543747	 0.314015181	 0.0694822457	-0.493622
+C	 1.449320092	 0.1589055029	 0.0944940493	 0.407957
+C	 2.4511099939	 1.2582033141	-0.35554703	-0.278256
+C	 3.2572788781	-0.0226289626	-0.655092366	-0.016533
+O	 2.0004240091	-0.6971586256	-0.9699730562	-0.326273
+C	 3.544651948	-0.5646400519	 0.7416299108	 0.508513
+C	 4.8303280036	-0.5240988212	 1.4367236864	-0.285113
+O	 4.310013213	-1.7479292283	 0.8953352533	-0.284435
+C	 2.1354156789	-0.4474157204	 1.3481825478	-0.360394
+H	-0.3697495043	 0.9976988313	 0.8601600944	 0.12245
+H	-0.3766160002	 0.7106339281	-0.89353872	 0.128251
+H	-0.5316405453	-0.6525092582	 0.2323965639	 0.132833
+H	 2.1220631105	 1.75603352	-1.2686584401	 0.110575
+H	 2.830813895	 1.9723969157	 0.380578788	 0.094948
+H	 4.0283523152	-0.1094255493	-1.4192833831	 0.085961
+H	 5.7145908356	-0.1314066735	 0.9346329691	 0.1125
+H	 4.855404173	-0.467058732	 2.5243757511	 0.114389
+H	 1.7273814618	-1.43118051	 1.591490683	 0.123815
+H	 2.083539357	 0.1968056099	 2.2302665827	 0.102432
+19
+0 1794	3.5809616	1.3182372	1.2333971	2.3085	74.9	-0.25774	0.07309	0.33083	1069.4152	0.157685	-422.535912	-422.528331	-422.527387	-422.567462	30.953
+O	-3.180125903	-1.4338080873	-0.9469409678	-0.480859
+C	-2.1164367374	-0.921743099	-0.2140346339	 0.411594
+C	-1.2962426409	-1.7456907007	 0.829566303	-0.296836
+C	-0.8325711585	-0.3239328085	 1.265743661	-0.106719
+C	-2.2671049448	 0.1630983547	 0.9007255121	-0.296416
+C	-0.0562922205	 0.1142857889	 0.0303308641	 0.509332
+C	 0.9267691448	 1.194618396	-0.0222634797	-0.289112
+O	 1.3324075644	-0.1834907262	-0.0595701445	-0.296203
+C	-1.0086368112	-0.3192911616	-1.0979843318	-0.341938
+H	-3.8221556733	-1.8047844846	-0.3329193554	 0.27883
+H	-1.9352054258	-2.2207910213	 1.5794336413	 0.088312
+H	-0.5416114336	-2.4469490963	 0.4649936658	 0.110002
+H	-0.3803063981	-0.1334557461	 2.2369692513	 0.071538
+H	-3.0024334122	-0.116018372	 1.6606742162	 0.091113
+H	-2.4061343257	 1.204731861	 0.5977327124	 0.096195
+H	 1.0769431655	 1.7486650247	-0.9483833344	 0.112986
+H	 1.1941157295	 1.7338473277	 0.8864070175	 0.110679
+H	-1.3762530657	 0.5100499157	-1.7086093296	 0.107515
+H	-0.5459785233	-1.0630667951	-1.7517555476	 0.119986
+19
+0 1795	3.1774349	1.6605856	1.4206653	3.1278	73.53	-0.24372	0.07657	0.32028999999999996	975.4838	0.157886	-422.536804	-422.529444	-422.5285	-422.568028	29.929
+C	 0.0510278488	-0.0585213478	-0.3116550844	-0.469741
+C	 1.5455632031	 0.0223163164	-0.1067342605	 0.402224
+C	 2.4806794929	-0.9339663814	-0.8992427273	-0.29444
+C	 3.1996612074	-1.0132819686	 0.4639865581	 0.041798
+O	 1.9784614411	-0.6320811962	 1.1312116169	-0.305682
+C	 4.1952578448	 0.1449423622	 0.5426583993	 0.043732
+O	 3.9755737547	 1.0961846286	 1.5755982446	-0.238545
+C	 3.5923453663	 1.4512896249	 0.2400324059	 0.035876
+C	 2.1013650693	 1.4589311495	-0.0840836702	-0.271277
+H	-0.4741420905	 0.5109816577	 0.462296843	 0.129014
+H	-0.227474398	 0.3542297	-1.2872407394	 0.117986
+H	-0.2862700071	-1.0972797896	-0.261862055	 0.123534
+H	 1.9730195871	-1.8640411277	-1.1604759154	 0.107864
+H	 3.0325250506	-0.5419013889	-1.7572874121	 0.097243
+H	 3.5950866908	-1.9651841407	 0.8266252638	 0.078815
+H	 5.2359524325	-0.0677820483	 0.299658772	 0.089806
+H	 4.1966080167	 2.2468551421	-0.1930506484	 0.092892
+H	 1.5570900676	 2.0530899451	 0.6589876682	 0.11916
+H	 1.9489065118	 1.9334401126	-1.0612408293	 0.099742
+19
+0 1796	3.0739735	1.6371308	1.3914205	2.4369	73.4	-0.25373	0.07486	0.32859	973.0575	0.158693	-422.547184	-422.539959	-422.539015	-422.578175	30.08
+O	 0.5554458306	 0.6608054265	 0.5336767015	-0.487361
+C	-0.8103016132	 0.5485180823	 0.8425893214	 0.414173
+C	-1.7593229311	 0.8958875311	-0.3248298072	-0.254979
+C	-2.7534885238	 1.3946277283	 0.7608523792	-0.070403
+C	-1.5105256864	 1.6847178393	 1.657144467	-0.286479
+C	-3.4955985802	 0.2128889719	 1.3738380605	 0.052482
+O	-3.5492845532	-0.9997148899	 0.6135159242	-0.253386
+C	-2.6571045102	-0.9393861968	 1.7350835377	 0.046483
+C	-1.1672039445	-0.8264797201	 1.438420583	-0.306096
+H	 1.0684282083	 0.3698878921	 1.2957739629	 0.273334
+H	-1.3544239685	 1.7323723618	-0.8987792063	 0.103908
+H	-2.0835905994	 0.0937228427	-0.9867762139	 0.116881
+H	-3.4187298539	 2.2207522799	 0.5075589726	 0.068697
+H	-1.0547618845	 2.6497712393	 1.4249091261	 0.105973
+H	-1.6163271943	 1.5693453748	 2.7406928542	 0.084508
+H	-4.3985329251	 0.4301868025	 1.9426992365	 0.090072
+H	-2.945448816	-1.5915789116	 2.55814316	 0.093154
+H	-0.6178914794	-0.9627647348	 2.3808917498	 0.089438
+H	-0.8462661453	-1.6223087993	 0.7558740807	 0.119599
+19
+0 1797	2.8490703	1.8699291	1.6775645	0.3016	73.31	-0.2196	0.06274	0.28234	909.0339	0.158808	-422.507309	-422.500468	-422.499524	-422.537957	28.892
+C	 0.1395258841	-0.1137892953	-0.3403663192	-0.499519
+C	 1.5579469615	 0.217067006	 0.0391702086	 0.389001
+C	 2.7964061452	-0.4341640503	-0.637692631	-0.246837
+C	 3.3478293091	-0.203634134	 0.7878791769	 0.049319
+O	 1.9942193945	-0.4194615932	 1.2922055966	-0.318675
+C	 3.6560337033	 1.3350312362	 0.947583224	 0.056231
+C	 2.4338496977	 1.9937232511	 1.6342498337	-0.210194
+C	 1.8796623868	 1.7623474722	 0.2067308458	 0.017758
+O	 3.2346775425	 1.9802095152	-0.2963047101	-0.289081
+H	-0.5662712579	 0.3216497021	 0.3759080299	 0.127926
+H	-0.0927033371	 0.2880225146	-1.3321653371	 0.125678
+H	-0.0114861724	-1.1963640602	-0.3556553525	 0.128909
+H	 2.6183432044	-1.4957786367	-0.8159442895	 0.098962
+H	 3.2677333872	 0.0522587051	-1.4874417363	 0.117823
+H	 4.0804536839	-0.8706150254	 1.2454398695	 0.077541
+H	 4.6842730922	 1.5763565855	 1.2227943542	 0.078268
+H	 1.9631166732	 1.5084445408	 2.4847203476	 0.119662
+H	 2.6148712253	 3.0546791759	 1.8092768453	 0.103377
+H	 1.1450544866	 2.4291182603	-0.2499884461	 0.073851
+19
+0 1798	2.7503895	1.8671259	1.6417322	2.2877	73.28	-0.23998	0.07597	0.31595	909.039	0.159746	-422.510942	-422.504267	-422.503323	-422.541377	28.884
+O	 0.3870196517	 0.4563402823	 0.1921409619	-0.495744
+C	-0.8935915229	 0.827108049	 0.6115124708	 0.397839
+C	-1.500644006	 2.2469433296	 0.372263328	-0.257239
+C	-2.4789432998	 1.7970628745	 1.5056817848	-0.062595
+C	-1.2464577881	 1.0558799461	 2.1103863173	-0.290318
+C	-3.4505521694	 0.7341400424	 0.8507844829	 0.077569
+C	-2.9278312395	-0.7073199858	 1.0705787312	-0.22972
+C	-1.9362263114	-0.1969678604	-0.0012721534	 0.044156
+O	-3.0450260021	 0.5800448448	-0.5470563875	-0.282536
+H	 1.0209183315	 1.0657209865	 0.5847331865	 0.276091
+H	-0.8246627691	 3.0305906264	 0.7265426533	 0.078009
+H	-1.9023297198	 2.4903696431	-0.6069381219	 0.119666
+H	-2.9959071801	 2.546579832	 2.1038566552	 0.068484
+H	-0.5553688518	 1.769956626	 2.5702228507	 0.083351
+H	-1.3759417622	 0.2126725991	 2.7867948733	 0.09688
+H	-4.5094895009	 0.9763604529	 0.9556842754	 0.077976
+H	-2.5930800079	-1.0562999586	 2.0453585625	 0.099741
+H	-3.6168180319	-1.4280597611	 0.6287829934	 0.109581
+H	-1.4662991704	-0.8605926889	-0.7280446443	 0.088809
+19
+0 1799	2.8294552	1.8994865	1.4779999	2.5342	73.93	-0.23755	0.08048	0.31803000000000003	947.1014	0.158306	-422.525473	-422.518238	-422.517294	-422.556663	29.262
+C	 0.0436674114	-0.4336369565	-0.3825935575	-0.510302
+C	 1.4988219488	-0.2462587104	-0.0683909071	 0.390491
+C	 2.6124570249	 0.1251403603	-1.0904468845	-0.27785
+C	 3.1850102174	 0.7351114506	 0.2113133718	 0.051511
+O	 1.8199452701	 0.9983171898	 0.6430187091	-0.317639
+C	 3.5584720241	-0.5156734565	 1.0320617798	-0.099443
+C	 3.115555696	-0.5367671124	 2.5101424998	-0.085219
+O	 1.9094275073	-1.2735234052	 2.1906021775	-0.295729
+C	 2.2405981888	-1.2997919657	 0.7950799582	 0.096196
+H	-0.5240665652	-0.5369024411	 0.5473683744	 0.146427
+H	-0.3514689525	 0.4192869044	-0.9407185414	 0.126669
+H	-0.1044701003	-1.3408496887	-0.9775544571	 0.12076
+H	 3.1650479738	-0.6735706675	-1.5948220538	 0.095107
+H	 2.2769604133	 0.8865545103	-1.7955177903	 0.112593
+H	 3.8336391167	 1.6106535566	 0.2357966892	 0.081287
+H	 4.5188284125	-0.9651693978	 0.7817073912	 0.081021
+H	 3.7652399125	-1.1140913718	 3.1782250475	 0.096517
+H	 2.8915727492	 0.4384496503	 2.9535771403	 0.112878
+H	 2.2338285512	-2.3100652487	 0.3735082628	 0.074727
+19
+0 1800	2.9702384	1.7531886	1.429634	1.5381	73.32	-0.24172	0.06992	0.31164	965.3408	0.158352	-422.523251	-422.516017	-422.515073	-422.554464	29.329
+C	-0.0154437323	-0.2594861235	-0.1325920949	-0.501603
+C	 1.4829175012	-0.2042513271	-0.0443043627	 0.404391
+C	 2.4280607744	-0.2670861863	-1.2743734842	-0.287885
+C	 3.2785795392	 0.5654990752	-0.3038024867	 0.049961
+O	 2.0433896601	 1.1378651247	 0.2365365006	-0.334775
+C	 3.628105175	-0.4265530519	 0.8333379457	 0.122338
+O	 4.1405670296	-1.7201936446	 0.4345819752	-0.300685
+C	 2.8765239416	-2.3590758464	 0.7362152215	-0.11296
+C	 2.2141993326	-1.0057259242	 1.0636903393	-0.094922
+H	-0.4674821826	 0.0277683684	 0.822507724	 0.130017
+H	-0.3872071463	 0.4156159865	-0.9079208631	 0.129285
+H	-0.3433669719	-1.2767834205	-0.3715229469	 0.124295
+H	 2.8095287355	-1.2227579937	-1.6344923362	 0.115346
+H	 2.0413369795	 0.3448594123	-2.0898289133	 0.107323
+H	 4.0137883762	 1.3048079721	-0.6186581504	 0.079315
+H	 4.1969625883	 0.0150360293	 1.6552790214	 0.0817
+H	 2.4773996248	-2.9206960315	-0.1175455539	 0.100262
+H	 2.9703388463	-3.0336186262	 1.5954856289	 0.1056
+H	 1.7350376887	-0.8998376724	 2.0364334858	 0.082998
+19
+0 1801	2.8253739	1.8208221	1.4349386	1.5032	73.4	-0.24	0.06536	0.30535999999999996	953.0474	0.159321	-422.533656	-422.526623	-422.525679	-422.564564	29.248
+O	 0.6738058446	 0.5652291023	 0.6542562963	-0.492526
+C	-0.6809229907	 0.8128387245	 0.452491989	 0.40865
+C	-1.5214151306	 1.7698950625	 1.3497919459	-0.303354
+C	-2.438279874	 1.8126300381	 0.0933437983	-0.055778
+C	-1.1198024392	 1.7074339322	-0.7425577766	-0.263772
+C	-2.9550707323	 0.3638419059	-0.0437391121	-0.055238
+C	-3.4836792135	-0.385946874	 1.1959452807	-0.11113
+O	-2.1834513773	-0.9711846412	 1.4564726319	-0.310554
+C	-1.632707861	-0.3840376955	 0.252573845	 0.058097
+H	 0.7576906048	-0.0454104486	 1.3952574302	 0.286207
+H	-1.9141444655	 1.3860810251	 2.2922846569	 0.106474
+H	-1.0021481064	 2.7169810638	 1.5063470587	 0.101112
+H	-3.1473992249	 2.6241277547	-0.0619480586	 0.068359
+H	-1.1720428835	 1.2539484231	-1.737453372	 0.093246
+H	-0.5564229565	 2.6415629212	-0.7774211585	 0.108548
+H	-3.4743832074	 0.1756910635	-0.9839728367	 0.079677
+H	-3.8425493956	 0.2232535654	 2.0340357033	 0.103122
+H	-4.2271087057	-1.1609023543	 0.9730600631	 0.102221
+H	-1.236792575	-1.1407456189	-0.4321597648	 0.076638
+19
+0 1802	2.8375728	1.7954199	1.4297016	2.1944	73.57	-0.24482	0.06567	0.31049000000000004	954.2602	0.159203	-422.533349	-422.526306	-422.525362	-422.564275	29.27
+O	 0.2251081905	 0.1908525985	 0.066025209	-0.487399
+C	-0.6443301956	 0.4201001553	 1.1288752086	 0.412235
+C	-0.8330780925	 1.8792245782	 1.6078931775	-0.272344
+C	-2.1216949643	 1.3008465303	 2.2531491505	-0.060411
+C	-2.2132054622	 0.3704418981	 1.0030866359	-0.294651
+C	-1.5570081014	 0.3046187915	 3.2825482186	 0.145768
+O	-0.5651064957	 0.8185542241	 4.2021612509	-0.302271
+C	 0.5009797865	 0.115007692	 3.519544187	-0.109699
+C	-0.4629324012	-0.3898029859	 2.4315775164	-0.136828
+H	 0.2927675012	-0.7595179338	-0.0761649923	 0.2779
+H	-0.0862922123	 2.3291808994	 2.2624924797	 0.113716
+H	-1.0553716559	 2.5394512176	 0.767815335	 0.1034
+H	-2.9470133992	 1.9419873234	 2.5569529292	 0.070174
+H	-2.714472307	-0.5976266858	 1.1099801426	 0.085879
+H	-2.5702113612	 0.8915022123	 0.1130245879	 0.106412
+H	-2.3194260633	-0.2907246535	 3.7949343426	 0.073642
+H	 1.3060401546	 0.7858294013	 3.1966504145	 0.107816
+H	 0.9233592232	-0.6750982704	 4.1525094352	 0.099825
+H	-0.5077081043	-1.4697101426	 2.2716075311	 0.066836
+19
+0 1803	2.2090007	1.6895276	1.4900921	2.3983	75.75	-0.25318	-0.03226	0.22092	1012.8474	0.15554	-422.525659	-422.516944	-422.516	-422.558692	33.251
+C	-0.056570864	 0.1460048239	 0.2990751549	-0.494646
+C	 1.4496212886	 0.0432176135	 0.0329301625	 0.205403
+C	 2.0698639417	-0.5243451832	 1.287779375	 0.080611
+O	 2.5575952601	-1.6297370017	 1.35287029	-0.266867
+C	 2.196961684	 1.2010204919	-0.7307656828	-0.11431
+C	 1.5248266986	 0.6867588397	-2.0476586769	-0.280727
+C	 2.0103347566	-0.5746971173	-1.2971378733	 0.395207
+O	 1.8421838613	-1.8702725728	-1.7255926513	-0.477325
+C	 3.3488381446	 0.2051375686	-1.0333712939	-0.302827
+H	-0.2451610818	 0.6263225887	 1.2666660347	 0.1212
+H	-0.5818835943	 0.7291598187	-0.4580715995	 0.133057
+H	-0.507779028	-0.8513687579	 0.3335531214	 0.138399
+H	 1.998086687	 0.1138048662	 2.1991515772	 0.081602
+H	 2.2906211789	 2.2355311915	-0.4079888845	 0.084345
+H	 0.4520854627	 0.8278440904	-2.1732088439	 0.099074
+H	 2.0617855281	 0.9308038231	-2.9672037636	 0.100694
+H	 2.1617343964	-2.4355563997	-1.0097523188	 0.29299
+H	 3.9746041696	-0.1227410317	-0.203080855	 0.108658
+H	 3.9458892301	 0.4271785579	-1.9201571223	 0.095463
+19
+0 1804	2.5625421	1.414719	1.3551484	2.3676	77.3	-0.25598	-0.04079	0.21519	1071.6789	0.155871	-422.529572	-422.521048	-422.520103	-422.562309	33.016
+C	 0.0637547943	 2.1790495682	-2.1887767221	-0.51906
+C	-0.1220438394	 0.7012051433	-1.9784070426	 0.268245
+C	-1.4489906341	-0.1214853785	-2.107969575	-0.265942
+C	-0.3716000877	-1.1549438526	-1.6650062287	-0.118243
+C	 0.5685896921	-0.4902902911	-2.7078620154	-0.287817
+C	 0.0917013235	-0.0809217908	-0.6126086165	 0.371312
+O	-0.7969810292	 0.2293283281	 0.4135976295	-0.502339
+C	 1.480711914	-0.1818158718	-0.0397086299	 0.071157
+O	 1.6833674255	 0.0127276486	 1.1400233823	-0.285022
+H	-0.5133450794	 2.7424710187	-1.4483074551	 0.136441
+H	 1.1154017358	 2.4706769596	-2.093732615	 0.11944
+H	-0.279500965	 2.4782059559	-3.1849976183	 0.123993
+H	-2.2403581326	 0.1040263443	-1.3961591287	 0.127337
+H	-1.8299007588	-0.2403348256	-3.1261689853	 0.088134
+H	-0.5098773029	-2.2194591628	-1.4745482178	 0.082426
+H	 1.6477435991	-0.6166566727	-2.6120013473	 0.093318
+H	 0.2644386114	-0.6275072717	-3.748007825	 0.101256
+H	-0.2507427381	 0.2951458785	 1.2136937921	 0.292784
+H	 2.3131593513	-0.4395035376	-0.7154604413	 0.10258
+19
+0 1805	2.212479	1.6164147	1.464635	1.0852	76.15	-0.23998	-0.03232	0.20766	1035.3103	0.153846	-422.508634	-422.499543	-422.498599	-422.54205	33.951
+C	 2.7979216397	-1.6475659045	-0.516546294	-0.524538
+C	 2.4387898609	-0.4293134797	 0.2709095112	 0.386578
+C	 3.169919492	 0.2340629269	 1.4716112729	-0.278105
+C	 2.0623173513	 1.1840066015	 0.9809125224	-0.002999
+O	 2.4775980546	 0.9091480542	-0.4038561379	-0.345405
+C	 1.0539440498	-0.0238671962	 0.8823473932	 0.213819
+C	-0.1297293294	 0.1524187671	-0.0649110512	-0.488295
+C	 0.5957624268	-0.6945312859	 2.1520514087	 0.078634
+O	 1.0477404499	-1.7178635885	 2.6062218702	-0.258285
+H	 2.7120146982	-2.528366956	 0.1262841584	 0.149801
+H	 2.1253388742	-1.7707505239	-1.3709396628	 0.132114
+H	 3.8242119267	-1.5774620839	-0.8885980503	 0.134573
+H	 3.0861326369	-0.2327821268	 2.4524557351	 0.12207
+H	 4.1786572511	 0.577269427	 1.24122893	 0.107125
+H	 1.8539736983	 2.2210073622	 1.2461365748	 0.096244
+H	-0.9401511248	 0.7095865781	 0.418405267	 0.11971
+H	 0.1916708247	 0.6968931319	-0.9534249316	 0.152342
+H	-0.535790572	-0.8175236868	-0.372261501	 0.12688
+H	-0.2541697191	-0.1772385667	 2.6568326748	 0.077737
+19
+0 1806	2.8422878	1.4988149	1.3859054	3.2924	75.64	-0.23137	0.0816	0.31296999999999997	1040.5786	0.155753	-422.477759	-422.469526	-422.468582	-422.510449	31.423
+C	 2.6105969199	-0.1852067536	-2.4334754386	-0.5218
+C	 2.44337316	-0.3136784062	-0.953372691	 0.324093
+C	 2.5771958494	-1.5399907375	-0.0103697786	-0.275719
+C	 2.470532582	-0.2677956219	 0.8603439267	-0.040758
+O	 3.4019373456	 0.4105810114	-0.0674036412	-0.348953
+C	 1.3046562387	 0.2081697154	-0.032015264	 0.50598
+C	-0.1671120261	-0.2370397018	 0.0026121254	-0.390515
+C	-0.4579279048	 1.2754100481	-0.0356030199	-0.082126
+O	 0.9531590236	 1.5872003754	-0.0744435825	-0.320706
+H	 1.8665092852	-0.7962514753	-2.9547020857	 0.122713
+H	 2.4791509337	 0.8585144855	-2.7335798412	 0.144958
+H	 3.6067540097	-0.5170108557	-2.7404159122	 0.135528
+H	 1.7681219826	-2.2753750788	 0.0189066084	 0.095167
+H	 3.5684388941	-1.993509239	-0.0102108716	 0.110571
+H	 2.6367588033	-0.135306184	 1.9293654861	 0.094121
+H	-0.5043074681	-0.8030427487	-0.8679598558	 0.115498
+H	-0.478521057	-0.7555822118	 0.9111394177	 0.117471
+H	-0.9791998339	 1.640806522	-0.9275131334	 0.106888
+H	-0.940168778	 1.6903404763	 0.8566878816	 0.107589
+19
+0 1807	2.8517375	1.4321049	1.3312213	1.9006	75.15	-0.23846	0.07717	0.31563	1056.8384	0.155777	-422.471215	-422.462962	-422.462017	-422.504045	31.272
+C	-1.3759658215	 2.4306823432	 2.2446903611	-0.516581
+C	-1.3067799783	 2.231076704	 0.764307649	 0.329658
+C	-2.4294827756	 1.9017408479	-0.257739974	-0.273549
+C	-1.1452437585	 2.2686717087	-1.0314249936	-0.029643
+O	-0.92816046	 3.3958984114	-0.0934555305	-0.351907
+C	-0.3235861461	 1.3807967285	-0.0823470687	 0.337485
+C	 1.1992602021	 1.4304339048	 0.0558597601	-0.162371
+O	 1.2686099504	-0.0158656262	 0.0464940882	-0.278486
+C	-0.1600288316	-0.1465965234	-0.0966859676	-0.17884
+H	-1.6675086448	 1.498607961	 2.7392430446	 0.130369
+H	-0.4039558572	 2.7429953019	 2.6386298736	 0.137106
+H	-2.1135474641	 3.1995222993	 2.4930178892	 0.138198
+H	-2.7944783303	 0.8720813601	-0.3116546951	 0.099091
+H	-3.2290244294	 2.6417358836	-0.3157167511	 0.107335
+H	-1.0018801454	 2.4648276616	-2.0942122734	 0.09628
+H	 1.7414212123	 1.8754439832	-0.7872265224	 0.107505
+H	 1.5858194729	 1.854489577	 0.990927185	 0.105097
+H	-0.4384650167	-0.6513886794	-1.0314224664	 0.102708
+H	-0.6121749684	-0.688104007	 0.7453369022	 0.100546
+19
+0 1808	2.8026951	1.5048871	1.4013706	2.7504	75.36	-0.22782	0.06524	0.29306	1028.4007	0.157051	-422.498584	-422.490571	-422.489626	-422.530976	31.171
+O	 3.1934897442	-1.4695781404	-0.2029538776	-0.466906
+C	 2.5818268485	-0.6856642161	 0.7539518875	 0.323537
+C	 2.0054506217	-1.1041578182	 2.1459093411	-0.302608
+C	 1.8386113595	 0.4395320656	 2.0659305	-0.137313
+C	 3.279021693	 0.5010456229	 1.4636570193	-0.271061
+C	 1.3324767057	 0.2346708135	 0.6191479624	 0.467306
+C	-0.0802405172	-0.1896647127	 0.1803064862	-0.39214
+C	 0.0220948395	 1.0130188919	-0.7766671777	-0.082522
+O	 1.3469187	 1.3319081703	-0.3045912378	-0.333676
+H	 2.5777903169	-2.1578881927	-0.4772879871	 0.28205
+H	 1.0929944927	-1.7074724598	 2.1574668143	 0.088406
+H	 2.7381389421	-1.4652018234	 2.8703028304	 0.100229
+H	 1.4121149032	 1.0926147951	 2.8231274304	 0.081592
+H	 3.515147193	 1.3671691321	 0.845887421	 0.122391
+H	 4.0934976665	 0.2389779602	 2.1432642824	 0.092551
+H	-0.1474093984	-1.1669979303	-0.3043572497	 0.101953
+H	-0.8534799408	-0.119550494	 0.9475975396	 0.116632
+H	 0.0182598236	 0.7742304581	-1.8463967463	 0.105291
+H	-0.6837323938	 1.8306340879	-0.5895714183	 0.104288
+19
+0 1809	2.8073733	1.4492976	1.3504632	1.7508	74.97	-0.24327	0.06287	0.30613999999999997	1041.8997	0.156999	-422.489824	-422.481833	-422.480888	-422.522239	30.976
+O	-1.5589612131	 2.092328322	-2.2589575115	-0.467899
+C	-1.4902347252	 2.0458566322	-0.8815101961	 0.339994
+C	-1.3361774651	 3.303778334	 0.0036304733	-0.26544
+C	-1.3618212439	 2.0895306659	 0.9822614546	-0.129336
+C	-2.5452471597	 1.5199891018	 0.1453873103	-0.2999
+C	-0.4010125713	 1.3723467691	 0.0050455496	 0.300003
+C	-0.0498941394	-0.1240939791	 0.0029603854	-0.180311
+O	 1.3498857997	 0.1783578323	-0.1567495722	-0.276747
+C	 1.1111016074	 1.6031070889	-0.1338490407	-0.17948
+H	-1.6673127761	 1.1953806836	-2.5943000833	 0.286015
+H	-0.3960693618	 3.8541836309	-0.080704513	 0.101679
+H	-2.1959405278	 3.9771074252	 0.0423514313	 0.09703
+H	-1.2841732631	 2.118489924	 2.0666043086	 0.085596
+H	-2.7066283265	 0.4391294252	 0.1893633364	 0.093335
+H	-3.487592604	 2.0708596107	 0.1979747532	 0.097276
+H	-0.2515371261	-0.6689787678	 0.9352396238	 0.10216
+H	-0.4389318104	-0.7164820975	-0.8383936152	 0.087008
+H	 1.6089504979	 2.0882738239	 0.7161027117	 0.100621
+H	 1.4356423986	 2.0873215749	-1.0641519462	 0.108395
+19
+0 1810	3.1423148	1.178229	1.0195859	2.4972	76.1	-0.23714	0.08033	0.31747	1222.2407	0.155567	-422.468865	-422.460467	-422.459523	-422.50227	31.681
+C	-0.9616235387	-1.2410186599	-0.2389745297	-0.512958
+C	-0.3318847673	 0.116389472	-0.2113927049	 0.3884
+C	 1.060654341	 0.5622053281	 0.3182752321	-0.27698
+C	 0.4272054463	 1.7273078178	-0.472000401	 0.030488
+O	 0.0188748935	 0.7554869319	-1.5101821576	-0.342017
+C	-0.9422475769	 1.4916416554	 0.223119198	-0.023889
+C	-1.2024227333	 1.8483519017	 1.6567702923	 0.038965
+C	-2.575504786	 1.9506026544	 2.1740066693	-0.183237
+O	-1.8235528533	 3.1235708521	 1.8737854799	-0.233188
+H	-1.1731629648	-1.583184677	 0.7790137647	 0.127087
+H	-1.9012180707	-1.2165713389	-0.7991832312	 0.134998
+H	-0.2920858265	-1.9636046797	-0.7151961595	 0.136453
+H	 1.2128560385	 0.665024031	 1.3949053671	 0.096984
+H	 1.905543987	 0.0840959807	-0.1790893194	 0.107502
+H	 0.8734674856	 2.662601233	-0.8077997666	 0.099458
+H	-1.7805578226	 1.7912880101	-0.4108681762	 0.087248
+H	-0.4180569809	 1.6239002784	 2.3788086291	 0.094751
+H	-3.414039415	 1.7490283977	 1.5081204171	 0.114622
+H	-2.7697223956	 1.7729505711	 3.2310457163	 0.115313
+19
+0 1811	3.0840174	1.2045359	1.0357855	1.6278	76.18	-0.2564	0.06618	0.32258000000000003	1201.5969	0.156885	-422.486752	-422.478591	-422.477647	-422.5199	31.382
+O	-1.1594997194	-0.6636565262	-0.0176335744	-0.466718
+C	-0.1930418852	 0.0393286479	-0.7099226923	 0.378337
+C	-0.2064040829	 0.2011728047	-2.2462759644	-0.255625
+C	 1.0529551606	 0.9683418786	-1.7432066988	-0.071744
+C	 1.3391724358	-0.2540380813	-0.823545796	-0.300944
+C	 0.1420817632	 1.5751939108	-0.627446576	-0.030889
+C	 0.7220771178	 2.1906114891	 0.6118721294	 0.025584
+C	-0.1089994321	 3.0089166536	 1.5094584006	-0.186866
+O	 0.8111077597	 3.6236153415	 0.6113236149	-0.235251
+H	-0.9298275931	-0.6643784041	 0.9177830659	 0.284081
+H	-0.022901191	-0.7052864397	-2.8278707634	 0.095176
+H	-1.0145676152	 0.8034557484	-2.6684224679	 0.096329
+H	 1.7736194884	 1.5090887544	-2.3509336535	 0.08918
+H	 1.6095419417	-1.1833062694	-1.3313373427	 0.096109
+H	 1.962893992	-0.0961964264	 0.0581931605	 0.091876
+H	-0.654178009	 2.224814108	-1.0063108202	 0.073059
+H	 1.5956868011	 1.7113408062	 1.051961801	 0.092029
+H	-1.162674384	 3.157125631	 1.2741986771	 0.114065
+H	 0.1436089816	 3.082628243	 2.5668316904	 0.112212
+19
+0 1812	3.1954391	1.1892166	1.0491264	2.1765	77.	-0.27732	0.0091	0.28642	1207.0486	0.156615	-422.543512	-422.535026	-422.534082	-422.577284	31.538
+C	-1.6719838591	 3.2019472844	 2.7761738952	-0.517596
+C	-2.0557205978	 2.5901381161	 1.4562931869	 0.28074
+C	-3.1583437121	 1.512053757	 1.175823843	-0.263841
+C	-2.5192086458	 1.8065380511	-0.2136749666	-0.085472
+C	-2.5704158328	 3.3129532659	 0.1689226522	-0.262125
+C	-1.1419951169	 1.7988426632	 0.488974902	 0.165839
+O	-0.6420908379	 0.5629516648	 1.0219430928	-0.236593
+C	 0.0470693758	-0.2108917705	 0.1710034101	 0.169693
+O	 0.2569926176	 0.0206530165	-0.9875398263	-0.3022
+H	-1.3026698227	 2.4369821174	 3.4671875435	 0.129071
+H	-0.8830218872	 3.9513501565	 2.6491621052	 0.1207
+H	-2.5308041926	 3.6938285787	 3.2447118112	 0.122272
+H	-2.9940632427	 0.5205496995	 1.5984757741	 0.105318
+H	-4.1922081991	 1.8412651247	 1.3093837357	 0.090349
+H	-2.7639355981	 1.3587986019	-1.1749980248	 0.088087
+H	-1.870941735	 3.9834810176	-0.3394371688	 0.094688
+H	-3.5677596042	 3.7520288068	 0.2396006104	 0.098944
+H	-0.3264505607	 2.3321045542	-0.0033704303	 0.09463
+H	 0.3982975914	-1.1037394559	 0.7121687944	 0.107496
+19
+0 1813	3.5190447	0.962316	0.883223	2.3629	77.1	-0.24034	-0.02562	0.21472	1358.9407	0.154513	-422.504399	-422.495414	-422.49447	-422.539083	32.75
+C	-2.5141992335	 3.2467734488	-2.5952645289	-0.515774
+C	-1.4474552171	 3.2191846805	-1.5462663783	 0.385676
+C	 0.0029624439	 3.7783210111	-1.5797529803	-0.269603
+C	-0.3394519725	 3.3628285835	-0.1332090466	 0.039683
+O	-1.6625753922	 4.0036634938	-0.2982845795	-0.339528
+C	-0.9770324706	 2.0374371837	-0.635666235	-0.013524
+C	-0.1626511303	 0.8549907171	-1.1604076229	-0.337825
+C	 0.3702458718	 0.0105479311	-0.0212923089	 0.166305
+O	 1.5306729029	-0.2571914728	 0.1516962994	-0.235531
+H	-2.2293757956	 2.6160767656	-3.4435624846	 0.12833
+H	-3.4614202526	 2.8780066951	-2.1901151148	 0.135
+H	-2.6660971459	 4.2668715906	-2.9603623152	 0.13841
+H	 0.7723585575	 3.2302700276	-2.1266776129	 0.100305
+H	 0.0657148573	 4.8557114238	-1.7373290094	 0.109527
+H	 0.2013322835	 3.5636112609	 0.7912570599	 0.099725
+H	-1.7829966777	 1.7078808679	 0.0275060142	 0.085729
+H	-0.8291187764	 0.214321293	-1.757011672	 0.123333
+H	 0.6783897635	 1.150305309	-1.790642436	 0.124254
+H	-0.413795666	-0.3567618003	 0.6819849119	 0.075508
+19
+0 1814	2.8928833	1.3987186	1.1235562	3.6984	76.23	-0.24728	-0.04043	0.20685	1121.2735	0.156486	-422.52744	-422.519268	-422.518323	-422.560377	31.65
+O	 0.8563793515	 3.1909941395	-0.735180465	-0.480589
+C	-0.0193085971	 3.1735658098	 0.3181224395	 0.408066
+C	-1.1808905342	 4.1835093212	 0.5363553653	-0.262473
+C	-1.2540437324	 3.1871162946	 1.7280378102	-0.084911
+C	 0.2899750961	 3.3279234035	 1.8491449986	-0.291032
+C	-1.0448465937	 2.0450350154	 0.6836676464	-0.011303
+C	-0.6026934184	 0.6511131995	 1.1202541681	-0.362149
+C	 0.1741329754	-0.124934265	 0.0857435637	 0.165196
+O	 0.753934308	 0.3544967272	-0.8621245864	-0.24643
+H	 1.0138057641	 2.2657244239	-0.9823981745	 0.298248
+H	-0.8921336336	 5.2090274774	 0.7772141265	 0.093703
+H	-2.0008295273	 4.1496563321	-0.1864026565	 0.088594
+H	-1.9773124274	 3.1951492437	 2.540558218	 0.07654
+H	 0.6599983228	 4.3057359355	 2.1665259406	 0.095671
+H	 0.8440240281	 2.528426359	 2.3459157194	 0.081008
+H	-1.858593143	 1.9566708249	-0.045359989	 0.071458
+H	 0.0409276833	 0.671074947	 2.0123309613	 0.141128
+H	-1.4669626113	 0.0414817368	 1.4174906533	 0.122949
+H	 0.2144021991	-1.2228304359	 0.2550269906	 0.096327
+19
+0 1815	2.7090417	1.6667296	1.2470204	4.4021	75.21	-0.25716	0.01392	0.27108	1047.3451	0.157806	-422.600935	-422.593165	-422.59222	-422.632819	30.906
+C	-2.8437553033	-2.4740518619	 0.0159565214	-0.466381
+C	-2.2917844462	-1.0702329886	 0.0052726495	 0.421154
+C	-2.751568601	-0.0048159936	 1.034180835	-0.267746
+C	-2.3653391911	 1.0422668245	-0.0494681212	-0.039171
+C	-2.6594740701	-0.0571731276	-1.1099465818	-0.267779
+C	-0.8540963706	 1.2590691182	 0.0102219573	-0.347038
+C	-0.0908223547	-0.0663140106	 0.0746455056	 0.405501
+O	 1.1049178829	-0.1456406961	 0.129463453	-0.33303
+O	-0.8456444691	-1.1959632006	 0.0703861378	-0.267224
+H	-2.5438164711	-2.9974088006	 0.9288493168	 0.133554
+H	-3.9360157591	-2.4519263578	-0.0321840402	 0.116767
+H	-2.4667006926	-3.041182179	-0.8404454873	 0.13356
+H	-3.8313215281	-0.0532486879	 1.1944138914	 0.107009
+H	-2.2337207998	 0.0190710908	 1.9967675857	 0.107797
+H	-2.9204201184	 1.980694675	-0.0961970658	 0.074075
+H	-3.721623703	-0.1156192547	-1.3595609332	 0.10701
+H	-2.0609968961	-0.0791072557	-2.0246335187	 0.107774
+H	-0.4833716283	 1.8026201622	-0.8657980594	 0.137039
+H	-0.5587127903	 1.8446748339	 0.8877916842	 0.137129
+19
+0 1816	2.9532183	1.5269933	1.2098829	4.5316	74.91	-0.25867	0.01277	0.27144	1066.3823	0.157857	-422.598191	-422.590419	-422.589475	-422.630104	30.852
+C	-3.2583215658	-2.2440083635	-0.0107635741	-0.477227
+C	-2.4073473218	-0.9881868903	-0.0052012229	 0.300712
+C	-2.6949859958	 0.1394846824	 1.0371084984	-0.275309
+C	-2.1568272513	 1.1098129186	-0.0361442484	 0.116878
+C	-2.6212013453	 0.0990588889	-1.1065435461	-0.275316
+O	-0.7186409258	 1.1720168922	 0.0121903701	-0.234309
+C	-0.0451364204	-0.0078636823	 0.0575386786	 0.413011
+O	 1.1532958655	-0.0133960642	 0.0988336597	-0.333336
+C	-0.9013104097	-1.2769858017	 0.0520805751	-0.387122
+H	-3.0868494456	-2.8423587946	 0.8915604732	 0.120681
+H	-4.3242234492	-1.9968076624	-0.0524180244	 0.114783
+H	-3.025602309	-2.8760739409	-0.8756029488	 0.120677
+H	-3.7672340282	 0.2792524395	 1.1975146739	 0.106941
+H	-2.1754683769	 0.1137021166	 1.9987949765	 0.109106
+H	-2.492174536	 2.1455465531	-0.0672234721	 0.092844
+H	-3.6797066613	 0.2313019937	-1.3454145401	 0.106941
+H	-2.0368539292	 0.0377564874	-2.0285979465	 0.109107
+H	-0.5761599382	-1.8805375172	-0.8033926167	 0.135468
+H	-0.636501346	-1.8473709251	 0.9500635645	 0.13547
+19
+0 1817	2.9120712	1.5306471	1.2089364	2.5148	74.7	-0.24063	-0.01747	0.22316000000000003	1067.9604	0.156947	-422.584769	-422.576763	-422.575819	-422.617152	31.367
+C	-3.2108713112	-2.2515149978	 0.4415627784	-0.466818
+C	-2.3661140697	-1.0249884963	 0.1893939572	 0.392224
+C	-2.7814918945	-0.0091799886	-0.9035461214	-0.301275
+C	-2.3533283509	 1.0117653222	 0.1677375142	 0.085952
+C	-0.8566367963	 1.3082827435	 0.1039842029	-0.311677
+C	-0.0727303994	 0.0072929076	-0.1130964437	 0.380436
+O	 1.0831607813	 0.0021516358	-0.4586752723	-0.30933
+C	-0.8562456008	-1.2913496634	 0.1248825979	-0.337743
+O	-2.5622210721	 0.0140388067	 1.2042662784	-0.328421
+H	-2.9047271633	-2.7458973685	 1.3695160832	 0.128348
+H	-4.2654164927	-1.9768851716	 0.5297869418	 0.124871
+H	-3.1020170141	-2.9688660478	-0.3786314725	 0.122183
+H	-2.2499173679	-0.0211004188	-1.8586480817	 0.106016
+H	-3.8598988977	-0.0087238242	-1.0702581268	 0.111089
+H	-2.9650125339	 1.9036569576	 0.3233199274	 0.082739
+H	-0.5919593217	 2.0123632858	-0.6919858853	 0.124686
+H	-0.5297745818	 1.7500328365	 1.0529996005	 0.13839
+H	-0.5841151803	-2.0050382944	-0.6600545641	 0.123328
+H	-0.5248206428	-1.7164786443	 1.0804268359	 0.135
+19
+0 1818	2.7928058	1.519356	1.1805245	1.9583	74.48	-0.24068	-0.01993	0.22075	1070.3422	0.1574	-422.588831	-422.580878	-422.579934	-422.621283	31.59
+O	-3.219520988	-2.2035111844	 0.0011493604	-0.485835
+C	-2.4439694431	-1.0332664875	 0.0473276582	 0.417168
+C	-2.7867807735	 0.0054131775	-1.0431384817	-0.260724
+C	-2.3744873894	 1.087639641	-0.0036386229	-0.032778
+C	-2.7633562542	 0.0669555841	 1.1048828781	-0.289512
+C	-0.8590529768	 1.2936707007	-0.0262674475	-0.311662
+C	-0.0909282889	-0.0331405394	 0.0274462439	 0.390199
+O	 1.1144290935	-0.0747431599	 0.0584416741	-0.313426
+C	-0.9389975264	-1.3145895914	 0.0397516464	-0.382754
+H	-2.8932238528	-2.8153677301	 0.6703247021	 0.275322
+H	-2.2458720303	-0.0439157414	-1.9934091876	 0.094738
+H	-3.8624527724	 0.0134027435	-1.2322904889	 0.112835
+H	-2.9110573212	 2.0369884471	-0.0255886881	 0.074962
+H	-2.1971279285	 0.0749730596	 2.0423813461	 0.088997
+H	-3.8342699267	 0.0882394758	 1.318645863	 0.108845
+H	-0.5376683073	 1.8223569115	-0.9322777509	 0.130682
+H	-0.5189086316	 1.9030427813	 0.8197575888	 0.129744
+H	-0.6658706014	-1.9136609191	-0.8373924335	 0.135733
+H	-0.6403891612	-1.8957118291	 0.9231271999	 0.117465
+19
+0 1819	2.6245795	1.9807708	1.4591859	2.9804	73.65	-0.24351	0.0776	0.32111	953.9759	0.157927	-422.536859	-422.529491	-422.528547	-422.568056	29.945
+C	 0.0390664305	-0.015789034	-0.0622956995	-0.489235
+C	 1.5473924804	-0.0120638858	-0.1203758789	 0.380552
+C	 2.3309142942	-0.9627342424	-1.0625950091	-0.291515
+C	 3.2694455046	-1.0537893068	 0.162501848	 0.089337
+C	 4.3187706285	 0.0643305328	 0.1964027689	-0.246712
+C	 3.6448867738	 1.400910141	-0.0975282708	 0.037028
+O	 2.7704198369	 1.9345671495	 0.9067959421	-0.241179
+C	 2.1839835627	 1.3795549188	-0.2635468261	 0.006079
+O	 2.1609648667	-0.6695881564	 1.0215735256	-0.309175
+H	-0.3079888762	 0.5684590083	 0.7962289814	 0.139357
+H	-0.3835151935	 0.4263381049	-0.9709111221	 0.117269
+H	-0.3380837527	-1.0367968957	 0.0388165414	 0.123718
+H	 1.7972629909	-1.8989773184	-1.2369963666	 0.107871
+H	 2.7222136778	-0.5617451943	-2.001076398	 0.096303
+H	 3.6811748485	-2.0298700259	 0.4323183021	 0.076947
+H	 4.8058344641	 0.0913681926	 1.1772692118	 0.122923
+H	 5.0963125426	-0.1243816298	-0.5540344132	 0.100326
+H	 4.2399728019	 2.156975637	-0.6074002055	 0.092446
+H	 1.6826133381	 2.0872941345	-0.9239906014	 0.087661
+19
+0 1820	2.5630113	1.9310085	1.431943	0.9572	73.32	-0.25562	0.07328	0.3289	954.9488	0.158708	-422.54624	-422.539009	-422.538065	-422.577215	30.113
+O	 0.4270420507	 0.6185200853	 0.5657440811	-0.494613
+C	-0.9673810211	 0.6020751551	 0.7354307383	 0.401156
+C	-1.8021799915	 0.8885495677	-0.5360148354	-0.257454
+C	-2.8710653092	 1.4807397694	 0.435381959	-0.029566
+C	-1.6951007369	 1.7997242549	 1.4048275401	-0.289269
+C	-3.7713853036	 0.3676498844	 1.0032227188	-0.241631
+C	-2.9445768339	-0.824688029	 1.4633327624	 0.052873
+O	-2.108393792	-0.6543663441	 2.6197459225	-0.257909
+C	-1.4859231044	-0.7096214667	 1.3307721279	-0.04266
+H	 0.8381152046	 0.4954922319	 1.4289465624	 0.278752
+H	-1.3295695534	 1.6680630784	-1.137998865	 0.108485
+H	-2.0787799444	 0.0424571771	-1.1720871366	 0.09098
+H	-3.4645032179	 2.3214709175	 0.0722384224	 0.068588
+H	-1.1957535224	 2.7322573361	 1.131037835	 0.099284
+H	-1.8756706618	 1.7556689663	 2.4788214951	 0.110545
+H	-4.3840860908	 0.7435300472	 1.8316163307	 0.112267
+H	-4.4644807404	 0.0227512742	 0.2256766838	 0.102722
+H	-3.4163124654	-1.8048132714	 1.4106811181	 0.094075
+H	-0.864019916	-1.5852883741	 1.1471152494	 0.093374
+19
+0 1821	2.5769182	1.9403477	1.4385321	1.2464	73.66	-0.23267	0.07671	0.30938	951.0212	0.15835	-422.530476	-422.523202	-422.522257	-422.561458	30.507
+O	 0.4065301519	 0.6902690946	 0.1441641125	-0.487459
+C	-0.9763842488	 0.9148520659	 0.2146620088	 0.403832
+C	-1.5224041865	 2.1038745603	-0.6194814276	-0.2728
+C	-2.6305011073	 2.1870131273	 0.4710566011	 0.117664
+C	-1.5841877983	 1.6204453391	 1.4652350181	-0.319298
+O	-3.6982131926	 1.2659059099	 0.2515601059	-0.273778
+C	-3.2918034868	-0.0032713946	-0.1918753252	 0.1175
+C	-2.7276274279	-1.0359163303	 0.7571671511	-0.347055
+C	-1.8163257465	-0.2914195768	-0.2017320042	-0.13916
+H	 0.6044825051	-0.116222132	 0.6332282038	 0.276708
+H	-0.8605436923	 2.9710917963	-0.5631241135	 0.108623
+H	-1.8216656071	 1.9152134141	-1.6526692454	 0.099706
+H	-3.1011422433	 3.1471794671	 0.6793458357	 0.082251
+H	-0.9013150421	 2.4014988178	 1.8084170271	 0.108175
+H	-1.9393227015	 1.0397070726	 2.3174518134	 0.096443
+H	-3.916753682	-0.3530708459	-1.0075553902	 0.099721
+H	-2.6937923003	-0.8054017436	 1.8146038579	 0.122489
+H	-2.9414843001	-2.0761294911	 0.5343261235	 0.111869
+H	-1.3999065935	-0.8300200709	-1.0484673529	 0.094569
+19
+0 1822	2.5623832	1.8618591	1.4194899	2.9452	74.28	-0.24063	0.08444	0.32507	979.6066	0.156846	-422.52484	-422.517047	-422.516103	-422.556637	30.986
+C	 0.0083543081	-0.2141649334	-0.1816493304	-0.515397
+C	 1.5021616336	-0.1382449962	-0.0741672582	 0.328261
+C	 2.5005859439	-0.2086034585	-1.2604231613	-0.27749
+C	 3.3055056526	 0.6276104342	-0.2426986187	 0.070803
+C	 3.642490526	-0.3738664878	 0.8833432966	-0.322467
+C	 2.2290124689	-0.9714325656	 0.9923894248	 0.466038
+C	 1.8608365434	-2.3133050684	 1.4421064649	-0.283212
+O	 1.6139796717	-1.1572232515	 2.2581158598	-0.282253
+O	 2.0468070042	 1.1981906618	 0.2293770324	-0.327786
+H	-0.4449971749	-0.069616488	 0.803079437	 0.148078
+H	-0.366560989	 0.55292017	-0.8634502425	 0.129801
+H	-0.2990032261	-1.1937718311	-0.5619860164	 0.121329
+H	 2.8835634095	-1.18189863	-1.5805823983	 0.093952
+H	 2.1586955699	 0.3883805555	-2.1068679887	 0.1114
+H	 4.0509864839	 1.3683288169	-0.5291688687	 0.083083
+H	 4.4125122275	-1.1018772864	 0.6134542115	 0.102769
+H	 3.928784129	 0.1336479964	 1.8069336439	 0.126667
+H	 0.9705040752	-2.8033934017	 1.0495160976	 0.111824
+H	 2.6323596427	-2.9882481761	 1.8110711047	 0.114604
+19
+0 1823	2.5730416	1.8600327	1.4329733	1.3972	74.32	-0.25017	0.08175	0.33192	967.9647	0.158095	-422.537335	-422.529869	-422.528925	-422.568718	30.635
+O	-1.7168259075	-0.7571665091	-0.0490444642	-0.496421
+C	-0.8904690817	-0.5593128967	 1.0458122126	 0.367413
+C	-0.3221794168	-1.7162172973	 1.9365599466	-0.296442
+C	-0.0954723648	-0.5408164034	 2.9290356139	-0.034309
+C	-1.4152493087	 0.0727246221	 2.358764838	-0.272354
+C	 0.998367228	 0.2827948873	 2.2071291487	-0.318451
+C	 0.369583405	 0.2662184426	 0.8077449323	 0.43182
+C	 0.5046631191	 1.2571816416	-0.2549322152	-0.288791
+O	 1.1156473992	-0.0463199853	-0.3692301909	-0.312028
+H	-1.13838457	-0.9820057826	-0.7906109622	 0.286291
+H	-1.1115360381	-2.3988907267	 2.2565384953	 0.102955
+H	 0.5506207301	-2.2685648562	 1.577165136	 0.099783
+H	 0.0310671763	-0.7128705105	 3.995859221	 0.071903
+H	-2.3077264679	-0.4341074144	 2.7308759527	 0.108003
+H	-1.5462914631	 1.1582845405	 2.3919673751	 0.093495
+H	 1.1104684143	 1.2934925927	 2.6104669705	 0.104698
+H	 1.9762966925	-0.2072242266	 2.2144677175	 0.116387
+H	-0.3265479191	 1.4384343727	-0.9339251256	 0.119076
+H	 1.2047570831	 2.0831502993	-0.139040562	 0.116972
+19
+0 1824	2.5247824	1.8867698	1.4517523	1.2538	74.92	-0.22572	0.0614	0.28712	967.8851	0.156999	-422.523658	-422.515922	-422.514978	-422.555243	31.529
+O	-1.7140207626	 1.3789176597	 1.6711289883	-0.477295
+C	-1.5586292747	 0.3332207776	 0.7725834237	 0.295266
+C	-2.4487288213	 0.2605140743	-0.4987647352	-0.272834
+C	-1.8681198411	-1.177399613	-0.5028446585	 0.092926
+C	-1.9712762654	-1.1573845194	 1.0416363504	-0.30689
+O	-0.4589785021	-0.9748865382	-0.7473394782	-0.316171
+C	-0.1868458598	 0.1103678107	 0.1347269243	 0.447703
+C	 0.7585806358	 1.191159932	-0.2610359236	-0.348373
+C	 1.1256249328	 0.199235234	 0.8399430121	-0.369958
+H	-1.1659428338	 1.2008167525	 2.4437695021	 0.285146
+H	-3.5137270233	 0.2964450301	-0.2648204054	 0.105072
+H	-2.1973225986	 0.9087630832	-1.3399928668	 0.107768
+H	-2.2400015995	-1.9835484653	-1.1298377482	 0.087691
+H	-2.9939356572	-1.243819867	 1.4119853509	 0.103772
+H	-1.2821883182	-1.7985834331	 1.5958192559	 0.100051
+H	 1.2663583839	 1.0887325001	-1.2134925724	 0.12271
+H	 0.5149927189	 2.2080630417	 0.029521326	 0.120915
+H	 1.8655490763	-0.5582392396	 0.6063405648	 0.12567
+H	 1.15616806	 0.5572464499	 1.8657839599	 0.096832
+19
+0 1825	2.6507569	1.6034964	1.2304243	2.7152	75.01	-0.243	-0.03299	0.21001	1056.0576	0.156305	-422.552278	-422.544028	-422.543084	-422.585149	31.465
+C	-1.271645757	-1.1315134728	-0.223970546	-0.501005
+C	-0.2554485355	-1.1947166191	-1.3370268311	 0.277594
+C	-0.2445317048	-0.233460362	-2.5805401019	-0.280676
+C	 0.6971095715	-1.3313582157	-3.1225821224	 0.107161
+C	-0.1926609299	-2.3569387158	-2.3881191828	-0.274408
+O	 1.8554138518	-1.2338547508	-2.2661249979	-0.295501
+C	 1.2536469901	-1.1463782359	-0.9643815141	 0.009971
+C	 1.6865363218	 0.1224030794	-0.2529973624	 0.128144
+O	 1.424151796	 0.3585324399	 0.898995272	-0.25056
+H	-1.1622002831	-1.9855750427	 0.4536604357	 0.124181
+H	-1.1531676449	-0.2230813971	 0.3734333406	 0.143101
+H	-2.2890403881	-1.149922804	-0.6271678432	 0.116214
+H	-1.2132510643	-0.2087924918	-3.0827673392	 0.105736
+H	 0.1588476749	 0.7761873344	-2.4728302878	 0.102885
+H	 1.0169932364	-1.4165741043	-4.158977144	 0.085207
+H	-1.1578373643	-2.5247301808	-2.8703583999	 0.103891
+H	 0.2690111405	-3.3024844101	-2.0930048205	 0.1028
+H	 1.5391406635	-2.0042906913	-0.3408214323	 0.102776
+H	 2.2673302453	 0.8276492006	-0.8877320225	 0.09249
+19
+0 1826	2.7123403	1.4996069	1.1762084	3.1091	75.54	-0.24162	-0.02126	0.22036	1089.5785	0.156509	-422.560389	-422.552092	-422.551148	-422.593348	31.518
+C	 0.8091679515	 0.0829909182	-3.0962897193	-0.499279
+C	-0.016536406	-0.5023212719	-1.9855773996	 0.385799
+C	-1.2103399971	-1.4641663657	-2.2033162039	-0.271789
+C	-1.6061448468	-0.7946945727	-0.8746846219	 0.081267
+C	-0.5790051052	-1.3419778426	 0.1357831364	-0.256644
+C	 0.7028089621	-1.1344004768	-0.741507743	-0.101453
+C	 1.6927821076	-0.1884387399	-0.1127770641	 0.145975
+O	 2.8562711165	-0.4387290892	 0.0808203102	-0.26279
+O	-0.950008292	 0.4264724994	-1.3372293329	-0.325742
+H	 1.4427477889	-0.6902225004	-3.5425547563	 0.132128
+H	 0.1661343454	 0.5011100536	-3.8750453016	 0.131287
+H	 1.4620800008	 0.8789238328	-2.724253984	 0.139106
+H	-1.8370036321	-1.1344000982	-3.0331289596	 0.112932
+H	-1.0341705144	-2.5426238806	-2.2323532493	 0.09801
+H	-2.6370874362	-0.6520715762	-0.5533889547	 0.085252
+H	-0.5647277232	-0.7417342518	 1.0495335543	 0.115879
+H	-0.7392035643	-2.387590069	 0.408714126	 0.111591
+H	 1.2187544086	-2.0643666659	-0.9911081738	 0.088881
+H	 1.257086936	 0.7957677469	 0.170179167	 0.089588
+19
+0 1827	2.646931	1.6714196	1.2980485	2.8011	74.66	-0.25308	-0.03576	0.21732	1020.0502	0.157768	-422.570116	-422.562324	-422.56138	-422.60228	30.825
+O	 0.4330767477	 2.0309842477	-2.226756902	-0.498853
+C	-0.3653875299	 1.2550955544	-1.4044929201	 0.438647
+C	-1.6993752614	 0.6773804944	-1.937941706	-0.272414
+C	-1.9965432959	 0.5084648235	-0.4177048826	-0.01888
+C	-1.2074290084	 1.8284574264	-0.2119967201	-0.29326
+C	-0.9639648254	-0.5591236445	 0.0096865825	-0.249568
+C	 0.2785498448	-0.0012945147	-0.7607113269	-0.139088
+C	 1.4896594287	 0.2997721599	 0.0808610891	 0.143229
+O	 2.1263508939	 1.3272262555	 0.0111083547	-0.267114
+H	 1.2328097662	 2.225067835	-1.7170879444	 0.288797
+H	-2.3169829535	 1.4472824853	-2.4043911772	 0.107667
+H	-1.6610566681	-0.2168222251	-2.5677386151	 0.08851
+H	-3.0126730921	 0.384370323	-0.0474047001	 0.069352
+H	-1.7701643786	 2.7123404185	-0.5172210981	 0.105684
+H	-0.7151170974	 2.0009357567	 0.7493819879	 0.092075
+H	-0.8145124054	-0.5791553932	 1.0948726085	 0.102464
+H	-1.2368562307	-1.5675650245	-0.3112618373	 0.106264
+H	 0.6166398408	-0.7095770691	-1.5308845379	 0.105938
+H	 1.8012197348	-0.5034337791	 0.786460465	 0.090548
+19
+0 1828	2.3845632	1.9965334	1.3280562	4.3202	74.81	-0.258	0.01865	0.27665	999.9542	0.15848	-422.596883	-422.589059	-422.588115	-422.628816	30.603
+C	 0.004689141	 2.5375367338	 0.0128675488	-0.471936
+C	-0.8771177673	 1.3056760015	 0.0068153996	 0.150871
+C	-2.029094822	 1.1548185173	 1.0532869243	-0.261929
+C	-2.7598554309	 0.3197558877	-0.0274700262	-0.041992
+C	-1.9753856699	 1.1268369091	-1.0917082363	-0.261928
+C	-2.2229614368	-1.1019506672	 0.0045260414	-0.073406
+O	-0.7827587073	-1.1404115606	 0.0411009542	-0.242782
+C	-0.0642471469	 0.0161443833	 0.0439784791	 0.427815
+O	 1.134268593	-0.0362547505	 0.0746620117	-0.340821
+H	 0.6300485786	 2.5679261058	 0.9093600644	 0.133473
+H	 0.6748540434	 2.5445269545	-0.8511435182	 0.133496
+H	-0.6106509703	 3.4424534683	-0.014796936	 0.104659
+H	-1.8006738206	 0.679817784	 2.011625396	 0.109261
+H	-2.5161565757	 2.1175194715	 1.2283646346	 0.106412
+H	-3.8517661051	 0.3159733145	-0.0547635815	 0.076782
+H	-1.6996138318	 0.6271623035	-2.024708265	 0.109261
+H	-2.4524452556	 2.0843299595	-1.315973863	 0.106411
+H	-2.5772201373	-1.6401114973	 0.8913701592	 0.118176
+H	-2.5327377885	-1.6632839687	-0.884604257	 0.118175
+19
+0 1829	2.4065432	1.923414	1.3016009	2.3452	74.78	-0.24329	-0.01531	0.22798000000000002	1010.3715	0.157073	-422.56876	-422.560572	-422.559628	-422.601468	31.405
+C	 0.0163995265	 2.577614352	 0.0012185906	-0.481017
+C	-0.8554664849	 1.3404900849	 0.0019799645	 0.187114
+C	-2.0226484846	 1.1799764391	 1.0400511604	-0.285822
+C	-2.7415295647	 0.3327298543	-0.0375400693	 0.12791
+C	-1.9493974674	 1.1269436746	-1.1041084331	-0.285827
+O	-2.3432937486	-1.0261863591	 0.0096970149	-0.273654
+C	-0.9367221693	-1.2292097947	 0.0626727381	-0.173888
+C	-0.0737465966	 0.042497302	 0.060749451	 0.350159
+O	 1.130400054	-0.0324184507	 0.1036857452	-0.330718
+H	 0.634182556	 2.6223585369	 0.9029852671	 0.131311
+H	 0.6953998459	 2.5781554545	-0.8565611931	 0.131339
+H	-0.6004234727	 3.4807512793	-0.0428974842	 0.107037
+H	-1.8131715083	 0.7070411439	 2.0030828157	 0.109559
+H	-2.5197878341	 2.140006738	 1.2025303963	 0.110047
+H	-3.8313189333	 0.3238113623	-0.0745548669	 0.084865
+H	-1.6755271974	 0.6073996068	-2.0260877552	 0.109561
+H	-2.4326817101	 2.0769404396	-1.3473088	 0.110049
+H	-0.6836602763	-1.7973432232	 0.9672961174	 0.135989
+H	-0.6235873342	-1.8407414607	-0.7935642795	 0.135986
+19
+0 1830	2.3561314	1.9700985	1.3266627	2.593	74.27	-0.22605	-0.01687	0.20918	1007.7243	0.157329	-422.579286	-422.571138	-422.570193	-422.611828	31.35
+C	-0.0761983744	 2.5351399803	 0.2143054562	-0.479729
+C	-0.8851368427	 1.2976257044	-0.0711607127	 0.297694
+C	-1.8943089712	 1.2398986293	-1.2490770626	-0.292408
+C	-2.7380383648	 0.4559008008	-0.2271571555	 0.099309
+C	-2.4235415688	-1.0416291495	-0.2518774552	-0.233268
+C	-0.9247640149	-1.2522758258	 0.0900593263	-0.30141
+C	-0.0719009622	-0.0022394252	-0.1379833051	 0.370827
+O	 1.1150137431	-0.0336694252	-0.354735591	-0.322984
+O	-1.9860486383	 1.0671864053	 0.8638410632	-0.329327
+H	 0.3698647646	 2.4755117678	 1.2117212943	 0.134771
+H	 0.7372248743	 2.6219979087	-0.5103531652	 0.141525
+H	-0.707602569	 3.4257549987	 0.1659004346	 0.118049
+H	-2.3020928536	 2.2290748645	-1.4669632655	 0.114323
+H	-1.5953579313	 0.7408800647	-2.1743282556	 0.109902
+H	-3.8074031976	 0.6711901796	-0.1598556144	 0.081616
+H	-3.0505968327	-1.5691441427	 0.4728576215	 0.111567
+H	-2.6651200256	-1.4486629379	-1.2402254271	 0.108061
+H	-0.8270316177	-1.4762389003	 1.1586773073	 0.145812
+H	-0.4736488871	-2.0891431174	-0.4474238435	 0.125669
+19
+0 1831	2.4127104	1.9126415	1.3022815	2.9686	74.52	-0.25379	-0.02015	0.23364000000000001	1006.223	0.158456	-422.591249	-422.583482	-422.582538	-422.623452	30.842
+O	-0.1077297968	 2.4862819181	 0.1898715404	-0.49342
+C	-0.9126364689	 1.3648073548	 0.1114639296	 0.344703
+C	-2.0927635452	 1.1781360544	 1.114679196	-0.29118
+C	-2.8196475852	 0.4148200635	-0.027707421	-0.020874
+C	-1.976039951	 1.2444568169	-1.0306857857	-0.284604
+C	-2.3897434577	-1.0590631968	-0.0707801077	-0.219283
+C	-0.8641864633	-1.2169983529	 0.1627648131	-0.316264
+C	-0.0873132228	 0.0910629819	 0.0885015705	 0.35679
+O	 1.1228112362	 0.1484002579	 0.0381716242	-0.359324
+H	 0.8045507578	 2.1535911942	 0.1452754656	 0.288436
+H	-1.9031634167	 0.664613907	 2.0619251049	 0.096639
+H	-2.5517679194	 2.1496097132	 1.3121196386	 0.117496
+H	-3.9048612368	 0.5124015728	-0.0859374492	 0.073583
+H	-1.682371427	 0.7843263528	-1.9791340521	 0.09804
+H	-2.4050852348	 2.2314769994	-1.2188188494	 0.11626
+H	-2.9403636033	-1.6314984924	 0.6828514004	 0.104882
+H	-2.6643396916	-1.4805434669	-1.0439934401	 0.108593
+H	-0.6665760218	-1.6124957213	 1.1669142844	 0.14326
+H	-0.4009789818	-1.9297754565	-0.5249730123	 0.136268
+19
+0 1832	2.8077729	1.6815644	1.2853795	1.1857	75.86	-0.23956	0.00983	0.24939	1015.8002	0.157645	-422.541666	-422.533831	-422.532887	-422.573358	31.54
+O	 0.5540731735	 0.2063130661	 0.256024371	-0.489762
+C	-0.6872397593	 0.5903211371	 0.8033960594	 0.373725
+C	-1.2340485844	 1.9102306731	 0.2004190573	-0.295003
+C	-2.6542002787	 1.283308343	 0.2554385708	 0.121815
+C	-1.9783002685	-0.115680164	 0.2696104434	-0.284773
+O	-3.4315794599	 1.5403612079	 1.4118547237	-0.270985
+C	-2.8034486717	 1.9624898547	 2.6106536876	-0.127088
+C	-1.5778110755	 1.2121180267	 3.0820138568	-0.082848
+C	-0.6557739022	 0.6351885549	 2.3139045945	-0.129815
+H	 0.7873664693	-0.65814297	 0.6118454489	 0.275324
+H	-1.0380890728	 2.8423492881	 0.7327622481	 0.107874
+H	-0.9035591361	 2.0074535028	-0.8363499636	 0.114679
+H	-3.3142413483	 1.4970689988	-0.5876911122	 0.084658
+H	-2.4465786728	-0.8789606796	 0.893679361	 0.098334
+H	-1.8116351275	-0.4926840571	-0.7437466131	 0.100595
+H	-2.5548524658	 3.036679781	 2.5529168491	 0.107697
+H	-3.5863627706	 1.8755638466	 3.371563911	 0.116684
+H	-1.4483351322	 1.1987043486	 4.1617877834	 0.095911
+H	 0.2006696335	 0.1511031811	 2.7784795529	 0.082977
+19
+0 1833	2.1517615	1.913971	1.6332939	2.2651	75.22	-0.22355	0.01253	0.23608	957.416	0.155828	-422.541173	-422.532729	-422.531785	-422.573126	34.154
+C	-0.0275333741	-0.0529727023	 0.3471195316	-0.492724
+C	 1.4331086196	-0.024641412	-0.0726001576	 0.405992
+O	 2.2236963994	-0.6581371845	 0.9237311589	-0.495862
+C	 2.0908525626	 1.2913665365	-0.6884981162	-0.159433
+C	 3.1756670211	 0.3415425487	-1.2973974941	-0.281902
+C	 1.9145811005	-0.5863675842	-1.4732800504	 0.349524
+O	 1.9698745278	-1.947108529	-1.7246614677	-0.501989
+C	 1.0802957778	 0.2634623405	-2.422467612	-0.125604
+C	 1.192708037	 1.4942721463	-1.9089912752	-0.096653
+H	-0.1561727132	 0.4762713861	 1.3009287881	 0.103964
+H	-0.6806914229	 0.4182013601	-0.3861010922	 0.134012
+H	-0.3503262899	-1.0892166318	 0.4917592537	 0.126514
+H	 1.8568504223	-0.443756978	 1.7865118598	 0.281778
+H	 2.3514031047	 2.1455121815	-0.0652140636	 0.060145
+H	 3.658394623	 0.679447254	-2.2156641731	 0.09126
+H	 3.8971094466	-0.0281765461	-0.568215498	 0.108163
+H	 2.3791381848	-2.3533516023	-0.951064323	 0.287202
+H	 0.5168967838	-0.1092157624	-3.2656910039	 0.105615
+H	 0.7353247991	 2.4203503189	-2.2274626153	 0.099997
+19
+0 1834	2.1505888	1.9417016	1.6088057	1.5088	75.16	-0.24139	-0.0029	0.23848999999999998	967.5392	0.155419	-422.5338	-422.525398	-422.524454	-422.565855	33.619
+C	 2.7970501287	-1.9598328075	 0.0937057571	-0.516426
+C	 2.3829773551	-0.5262624169	 0.250764525	 0.299268
+O	 2.8999469903	 0.149990015	 1.4646328319	-0.347904
+C	 1.8644319832	 1.1460947647	 1.1585519328	-0.067487
+C	 2.3087921295	 1.6607767472	-0.2014460697	-0.085772
+C	 2.6599768924	 0.5263469823	-0.8174113632	-0.130149
+C	 0.932639057	-0.0812174304	 0.7775565866	 0.443592
+C	-0.271956802	 0.0405288438	-0.1308956841	-0.465455
+O	 0.5342670712	-0.8204347116	 1.8950155351	-0.485717
+H	 2.3661346989	-2.5726136905	 0.890494204	 0.129197
+H	 2.451357441	-2.3538000528	-0.8672406065	 0.125069
+H	 3.8868475838	-2.0518830314	 0.1305558809	 0.135477
+H	 1.6396787083	 1.8289288275	 1.9773173603	 0.079917
+H	 2.277721492	 2.6791826525	-0.5595834955	 0.112576
+H	 3.0018292724	 0.347258465	-1.8267728438	 0.109612
+H	-1.0865207745	 0.5360715746	 0.4060816056	 0.12814
+H	-0.0499104392	 0.6019354338	-1.0375504262	 0.1233
+H	-0.6220694075	-0.9590330517	-0.4065265468	 0.127829
+H	 1.3163005592	-0.8603259834	 2.4642780768	 0.284934
+19
+0 1835	2.3794717	1.8524444	1.4939656	0.8877	75.02	-0.23184	0.0844	0.31623999999999997	979.0192	0.156785	-422.515867	-422.507969	-422.507025	-422.547757	31.09
+C	-0.0158193782	 0.0465847019	 0.0532029871	-0.502692
+C	 1.4797639391	-0.0457412257	 0.0333258807	 0.350109
+C	 2.3290826386	-1.1595317307	 0.7171415019	-0.285582
+C	 3.4516933134	-0.5527823441	-0.1880627294	-0.182019
+C	 3.5139587805	 0.8720461096	 0.3775422288	-0.078517
+O	 2.101306446	 1.165383293	 0.5149825551	-0.315071
+C	 2.3252466664	-0.349523694	-1.2190517118	 0.489046
+C	 2.2516508093	 0.0410666899	-2.6175778327	-0.310324
+O	 1.9619547725	-1.3110324123	-2.1830471883	-0.303058
+H	-0.3875802526	 0.1263580669	 1.0789276316	 0.129362
+H	-0.3497369181	 0.9305094284	-0.4990849379	 0.128523
+H	-0.4509587287	-0.8419339658	-0.4122014929	 0.133594
+H	 2.4499829276	-1.0880364759	 1.8007169838	 0.097931
+H	 2.0410754364	-2.1653994569	 0.4085590414	 0.120857
+H	 4.3825703439	-1.0670586754	-0.4189149231	 0.083091
+H	 4.0069860338	 0.9340649281	 1.3548911243	 0.10212
+H	 3.9819702367	 1.5910779855	-0.3050740611	 0.101579
+H	 1.3927388849	 0.6006336993	-2.9843263824	 0.121979
+H	 3.1620615084	 0.1478847481	-3.205542845	 0.119073
+19
+0 1836	2.2936932	1.8974352	1.4918578	2.8644	74.75	-0.23514	0.07607	0.31121	979.9159	0.157078	-422.515023	-422.507168	-422.506224	-422.546869	30.909
+C	-0.0035588266	-0.0255026423	 0.0601516395	-0.510137
+C	 1.5039164476	-0.0167120034	 0.075478101	 0.159398
+C	 2.3818212314	 0.3436073854	 1.3266650696	-0.283807
+C	 3.483626491	 0.4826143138	 0.2429696718	-0.014734
+O	 3.634469805	-0.859608526	-0.2430896162	-0.27955
+C	 2.2567656796	-1.2718675064	-0.4094475105	-0.101751
+C	 2.3701276015	 1.0423008929	-0.6442013828	 0.510662
+C	 2.0584755815	 2.3817498307	-1.1182991684	-0.304448
+O	 2.4121763789	 1.3103074823	-2.0219900455	-0.295529
+H	-0.4029222032	-0.8397349559	 0.6746383844	 0.123306
+H	-0.4105822126	 0.9142875607	 0.4466616462	 0.119989
+H	-0.380101976	-0.1619022682	-0.9597688513	 0.131119
+H	 2.0919668729	 1.2883603624	 1.7904798893	 0.103912
+H	 2.5412616364	-0.4369596513	 2.0731172126	 0.105585
+H	 4.4568966836	 0.9436661611	 0.3956459533	 0.087012
+H	 2.0574375915	-1.4999478776	-1.4631439809	 0.112286
+H	 2.053575711	-2.1599618489	 0.2006176156	 0.097355
+H	 1.0230685232	 2.7140822392	-1.1796279328	 0.11831
+H	 2.7967003335	 3.1783323315	-1.0363462548	 0.12102
+19
+0 1837	2.3137149	1.8878868	1.4832647	0.4549	74.59	-0.25338	0.08398	0.33736	985.3535	0.156886	-422.524385	-422.516436	-422.515492	-422.556357	31.143
+C	-0.0198994	-0.0041270081	 0.1756816332	-0.50499
+C	 1.4429018687	 0.1984476455	-0.0883863669	 0.313388
+C	 1.9091855467	 1.0812848189	-1.2724337368	-0.253841
+C	 3.4365389766	 1.1211363289	-0.9399872726	-0.22575
+C	 3.3891205248	 0.2477082823	 0.330016497	-0.02667
+O	 2.2157076594	 0.7692105262	 1.0285410889	-0.338353
+C	 2.5006003427	-0.9164911163	-0.1028392461	 0.46364
+C	 2.4539109546	-2.3191547059	 0.2650920818	-0.296963
+O	 2.7361600728	-1.8874067842	-1.0905573538	-0.287651
+H	-0.1752518853	-0.6000658026	 1.0791189102	 0.128517
+H	-0.5256478808	 0.9580162587	 0.3053047244	 0.131718
+H	-0.4854235017	-0.5206380458	-0.6699706611	 0.130904
+H	 1.6919877877	 0.6197822063	-2.2392604773	 0.111663
+H	 1.4394946966	 2.0667984765	-1.2350199953	 0.104239
+H	 4.0603146956	 0.6823399398	-1.7228282307	 0.113142
+H	 3.7968283897	 2.1274824767	-0.7182409136	 0.107357
+H	 4.2763849428	 0.1449683434	 0.9531347162	 0.084585
+H	 3.2930685738	-2.775376731	 0.7874323911	 0.1231
+H	 1.496323085	-2.8199389294	 0.3971031914	 0.121962
+19
+0 1838	2.3364803	1.8539852	1.4861399	2.8689	74.63	-0.2473	0.07059	0.31789	977.8034	0.157488	-422.527257	-422.519399	-422.518455	-422.55903	31.304
+O	-1.5068346604	-1.1776717344	 0.2138739326	-0.48259
+C	-0.9001724081	-0.1737788396	 0.9537487839	 0.326081
+C	-0.0069100983	-0.4271390653	 2.2218256199	-0.304512
+C	 0.5913303407	 0.959423288	 1.8274593434	-0.127019
+C	-0.6088078465	 1.9061822839	 2.0509750058	-0.218023
+C	-1.7380555608	 1.0497466862	 1.38538808	-0.276391
+C	 0.3487594161	 0.509868337	 0.3781642699	 0.506663
+C	 0.7060270474	 1.0056634593	-0.9436990824	-0.317186
+O	 1.3083815851	-0.1842305829	-0.3831611025	-0.305745
+H	-2.3384730311	-1.4134527811	 0.6381516855	 0.281505
+H	-0.5027896344	-0.508208975	 3.1937165097	 0.082795
+H	 0.6918646299	-1.2492916229	 2.063230012	 0.123014
+H	 1.5760934152	 1.2780733804	 2.1628549281	 0.076427
+H	-0.7929455207	 2.0889476208	 3.1131277058	 0.102036
+H	-0.4748632449	 2.8735475777	 1.5594471256	 0.102064
+H	-2.5305212591	 0.7711996734	 2.088610876	 0.09088
+H	-2.2023162557	 1.5433068069	 0.526941611	 0.104304
+H	 0.0415962061	 0.8260605578	-1.7874922449	 0.122262
+H	 1.3778263093	 1.8565388498	-1.0496768295	 0.113434
+19
+0 1839	2.3295642	1.849805	1.4918098	2.2999	75.07	-0.23661	0.06112	0.29773	977.2123	0.157502	-422.519797	-422.512029	-422.511085	-422.551456	31.301
+O	-1.3245443471	-0.6134201432	-2.2489043483	-0.477048
+C	-1.5261034316	-0.631069015	-0.8784524075	 0.268306
+C	-0.703380693	-1.4750192107	 0.1552953991	-0.302745
+C	-1.8910696684	-1.0450362727	 1.0544810759	-0.002932
+O	-1.7220489888	 0.3830851604	 1.1613697601	-0.277009
+C	-1.4652391664	 0.7512064026	-0.2110627301	-0.096656
+C	-2.7866459947	-1.1970637472	-0.1766458564	 0.385341
+C	-3.6353166743	-2.3423044915	-0.6131673336	-0.37162
+C	-4.2347654155	-0.9573380799	-0.4051456911	-0.360627
+H	-1.324812259	-1.5223046059	-2.5668331665	 0.285813
+H	-0.7057145162	-2.5419250539	-0.0766320958	 0.098558
+H	 0.2909957205	-1.1231764943	 0.4391487372	 0.100977
+H	-2.1081824777	-1.475977825	 2.0292085626	 0.08454
+H	-2.2413899394	 1.4302318567	-0.5810364015	 0.105412
+H	-0.4844429288	 1.2304847405	-0.3051391534	 0.102164
+H	-3.5410125343	-2.6974559883	-1.6364390451	 0.102757
+H	-3.8801509426	-3.1209334424	 0.1027229419	 0.116635
+H	-4.5272059634	-0.4002285427	-1.2905331812	 0.118574
+H	-4.8790122894	-0.8035517975	 0.4544373137	 0.11956
+19
+0 1840	2.4451968	1.495516	1.2574721	2.8581	76.03	-0.2387	-0.02971	0.20899	1085.6824	0.156685	-422.553944	-422.545689	-422.544744	-422.586863	31.442
+C	 0.9374099602	-3.356850743	-0.0769645789	-0.49068
+C	 0.6424330035	-2.1817136352	-0.9643856115	 0.415438
+C	-0.6842740928	-1.9517667119	-1.7328453141	-0.269281
+C	-0.0545538237	-0.5400679348	-1.9267792071	-0.096961
+C	 1.1753574938	-0.9222322325	-2.7553662827	-0.089948
+O	 1.6407401198	-2.0635280437	-2.0029084437	-0.307962
+C	 0.4958700213	-0.70218674	-0.4572071448	-0.117376
+C	 1.7123660999	 0.0390179218	 0.0123936534	 0.130324
+O	 1.7121638602	 0.7978383117	 0.9523297208	-0.262936
+H	 0.1900507041	-3.4352810442	 0.7170563913	 0.124729
+H	 0.9270560808	-4.28316513	-0.659523813	 0.133313
+H	 1.925062564	-3.2560411897	 0.3831168131	 0.134594
+H	-0.853084464	-2.5650177439	-2.6219429331	 0.101871
+H	-1.5628931732	-1.9441104056	-1.086402341	 0.108145
+H	-0.6291679238	 0.3342324605	-2.227383542	 0.086455
+H	 0.9198456223	-1.2202544761	-3.7789329357	 0.107263
+H	 1.953391327	-0.1526347225	-2.7968724344	 0.106972
+H	-0.3050761778	-0.5842018393	 0.2745861621	 0.094377
+H	 2.6457680083	-0.1659685616	-0.5530953988	 0.091662
+19
+0 1841	2.3613725	1.5426382	1.2510463	2.9212	75.71	-0.23916	-0.03026	0.2089	1082.3535	0.156791	-422.550622	-422.542359	-422.541415	-422.583556	31.383
+C	 1.4175865167	 1.3682005131	-3.3779783226	-0.501687
+C	 0.5271270864	 0.5112106064	-2.5135806186	 0.260358
+C	-0.2241497203	-0.7625282817	-3.0283684769	-0.270531
+C	-0.3357378708	-1.0235831832	-1.5126443528	 0.074135
+O	-1.1743490106	 0.0447860012	-1.0415895556	-0.276851
+C	-0.6277401993	 1.1782935766	-1.7510951066	-0.117234
+C	 1.1028463572	-0.4451413888	-1.3781953953	-0.117486
+C	 1.5597453245	 0.1092165843	-0.0612760971	 0.125965
+O	 2.7125735285	 0.1110938027	 0.300381838	-0.262442
+H	 1.9195261853	 2.1421945231	-2.7872106809	 0.131339
+H	 2.190153053	 0.7674523272	-3.8669561741	 0.127821
+H	 0.8358379472	 1.8686143304	-4.1606039265	 0.124245
+H	-1.158410728	-0.6196936955	-3.5777434259	 0.103068
+H	 0.4349667153	-1.4607639563	-3.5468737273	 0.107569
+H	-0.6523500806	-1.9647480367	-1.0671216508	 0.090382
+H	-1.3816576388	 1.605715486	-2.4232271047	 0.105749
+H	-0.3087039237	 1.9519004034	-1.0437462904	 0.106269
+H	 1.8766127046	-1.0953091314	-1.7905614805	 0.095039
+H	 0.7567235635	 0.5223776193	 0.5849500284	 0.094294
+19
+0 1842	2.6682154	1.4423296	1.1731028	2.749	75.89	-0.23897	-0.02428	0.21469	1110.6531	0.156532	-422.559961	-422.55165	-422.550706	-422.592781	31.631
+C	-1.2156078116	-1.0734189734	-0.5944877659	-0.496222
+C	-0.1617062244	-0.7701462358	-1.6223386239	 0.391868
+C	-0.2402352797	-1.4511300149	-3.0108890415	-0.251534
+C	 0.8907170077	-0.6416217924	-3.7140726772	-0.226643
+C	 1.2638256446	 0.2429523521	-2.5089362375	 0.057482
+O	-0.0398720315	 0.6457477131	-1.9965729384	-0.329294
+C	 1.3813486925	-0.7711255435	-1.3356736286	-0.128949
+C	 1.7693716241	-0.1395360638	-0.0312111487	 0.144221
+O	 2.5455865822	-0.6349871912	 0.7491561826	-0.268486
+H	-1.0649626418	-0.4964848194	 0.3212432816	 0.134815
+H	-2.2067224831	-0.8333363452	-0.9928953086	 0.1345
+H	-1.1994728378	-2.1378954965	-0.3400044091	 0.131875
+H	-0.0485715374	-2.5261661578	-2.9646791291	 0.105699
+H	-1.2221948853	-1.2892881204	-3.4617365144	 0.111092
+H	 1.7221584113	-1.2575839242	-4.0655555909	 0.107084
+H	 0.5254100097	-0.036024345	-4.5458730799	 0.114527
+H	 1.9621721241	 1.0687406815	-2.6448916571	 0.089299
+H	 1.9376795598	-1.6984456669	-1.4916480625	 0.084293
+H	 1.2882421865	 0.8400091635	 0.172318089	 0.094372
+19
+0 1843	2.2743441	1.7295039	1.4117246	1.8976	74.62	-0.24841	-0.02963	0.21878	1009.5752	0.157413	-422.567554	-422.559401	-422.558457	-422.600402	31.431
+O	 0.2640655102	-1.1814106143	-2.897189439	-0.487143
+C	 0.1752319473	 0.0233909047	-2.2122314835	 0.408962
+C	 0.1922328336	 1.3475573243	-3.0159748964	-0.258785
+C	 0.5726385185	 1.9508089444	-1.6300668775	-0.054033
+C	-0.7154596384	 1.7071208453	-0.8118196494	-0.218819
+C	-1.0290005592	 0.2479461688	-1.2667323013	-0.275974
+C	 1.377000068	 0.6225877857	-1.4077443759	-0.140676
+C	 1.7330332763	 0.1350253708	-0.0357880589	 0.121451
+O	 1.2632608345	-0.848099069	 0.488136083	-0.257533
+H	 0.213816527	-1.8916592306	-2.2471076721	 0.287864
+H	 1.0100425749	 1.3871003273	-3.7382023465	 0.104924
+H	-0.7454298328	 1.6755791725	-3.47289199	 0.095204
+H	 1.0583232796	 2.921418513	-1.5448374237	 0.071462
+H	-0.5503159532	 1.7872936231	 0.2665922252	 0.104543
+H	-1.5048232514	 2.4139889103	-1.0811962806	 0.102245
+H	-1.0409457656	-0.4637688631	-0.4398476473	 0.119529
+H	-1.9694666855	 0.1642083002	-1.8179463498	 0.100411
+H	 2.2906915312	 0.6409586724	-2.0147162953	 0.098495
+H	 2.503889975	 0.7413061543	 0.495657469	 0.077871
+19
+0 1844	4.0266547	1.1052984	1.015794	1.8564	76.85	-0.27654	0.00657	0.28311000000000003	1224.9906	0.156395	-422.54651	-422.538029	-422.537085	-422.579709	31.944
+C	-2.2620610176	 4.6603139509	-0.5718738654	-0.505622
+C	-1.7075974832	 3.3438245832	-0.1031887497	 0.316693
+C	-0.2068032865	 2.8993291522	-0.0931706026	-0.308383
+C	-1.0281100236	 1.72182897	 0.4856724391	 0.461201
+C	-1.8202359503	 2.7281068517	 1.3338967834	-0.31718
+C	-2.0531175248	 1.9210954149	-0.6569631026	-0.30846
+O	-0.5461730072	 0.504675827	 1.0181039157	-0.26425
+C	 0.1378671843	-0.3033907223	 0.1909403039	 0.147922
+O	 0.3853266399	-0.0997362423	-0.9648489332	-0.298644
+H	-1.8400931806	 5.4918015519	 0.0026741482	 0.121715
+H	-2.0294987367	 4.8294677351	-1.6285102679	 0.124332
+H	-3.3509107725	 4.6914613736	-0.4579833106	 0.121714
+H	 0.2661700562	 2.7333502573	-1.0615639304	 0.114262
+H	 0.4493715711	 3.4254065444	 0.6056606423	 0.091856
+H	-2.8181813989	 2.4201943507	 1.656948676	 0.09491
+H	-1.2716680918	 3.2395140973	 2.129261812	 0.094913
+H	-1.7101374805	 1.6862959048	-1.6650945204	 0.114182
+H	-3.0684743178	 1.5615843894	-0.4686097617	 0.091869
+H	 0.4410962804	-1.2000439597	 0.753825844	 0.106969
+19
+0 1845	4.3807158	0.9245261	0.8871143	3.246	77.25	-0.23924	-0.02356	0.21568	1364.1733	0.15403	-422.514017	-422.504905	-422.503961	-422.548573	33.33
+C	-2.3739037374	 4.6961490791	-0.6770612572	-0.508955
+C	-1.9590656739	 3.4389303799	 0.0186543578	 0.406829
+C	-1.9108628699	 3.1108339958	 1.5366148955	-0.302739
+C	-1.1895509023	 1.9853522871	 0.7571060194	 0.402937
+C	-0.3327135426	 0.858080866	 1.2677459087	-0.414985
+C	 0.3230744867	 0.0784853011	 0.142124918	 0.157613
+O	 0.3161265465	-1.1223582999	 0.0566945854	-0.241254
+C	-2.352251706	 1.9667701737	-0.2696625178	-0.292064
+O	-0.5255252758	 3.0291290074	-0.0678326433	-0.375904
+H	-1.8211585227	 5.5538932712	-0.2824042767	 0.134975
+H	-2.1807440201	 4.6219622722	-1.7514058179	 0.135689
+H	-3.4434694841	 4.8747886611	-0.5286994	 0.128787
+H	-1.256817448	 3.7544991725	 2.1274044529	 0.104121
+H	-2.8494381445	 2.8701024142	 2.0430422261	 0.094918
+H	 0.4667304864	 1.2884772254	 1.8875065668	 0.134704
+H	-0.9168450132	 0.1708357268	 1.8864006191	 0.129278
+H	 0.8301900329	 0.712409238	-0.6161740928	 0.101966
+H	-2.0902338601	 1.6048117222	-1.2653721309	 0.107721
+H	-3.3318433719	 1.6179716662	 0.0675808969	 0.096363
+19
+0 1846	4.4401111	0.8854726	0.8579207	1.897	76.8	-0.25035	-0.02401	0.22634	1371.999	0.155424	-422.527711	-422.518877	-422.517933	-422.562044	32.86
+O	-2.4848117449	 4.6860773158	 0.4225650709	-0.466515
+C	-1.8357894469	 3.5313782814	 0.0369299799	 0.40042
+C	-2.1485923293	 2.0580131195	 0.4473908151	-0.328025
+C	-0.9907293179	 1.9915522228	-0.6006756639	 0.320953
+C	-0.3053701245	 0.7569887774	-1.1442604987	-0.400705
+C	 0.3045456747	-0.0927123799	-0.04892806	 0.160954
+O	 1.4665322084	-0.3994174037	 0.0170040306	-0.237361
+C	-1.7775737724	 3.0535883549	-1.4303273138	-0.299032
+C	-0.3196784649	 3.1811436975	 0.1547080308	-0.319382
+H	-2.3739113962	 4.7984717131	 1.3728586707	 0.2842
+H	-1.9024336312	 1.7692370506	 1.4737862795	 0.088443
+H	-3.1164651935	 1.6567377421	 0.1342713093	 0.095318
+H	-1.0487020242	 0.1380516005	-1.6680756688	 0.120514
+H	 0.4813294188	 1.0227569989	-1.8568881184	 0.124092
+H	-0.4212958063	-0.4306956716	 0.726719487	 0.075933
+H	-1.1907175714	 3.6652908004	-2.1206966917	 0.096922
+H	-2.7198494068	 2.724288212	-1.8766984046	 0.094394
+H	 0.0654864598	 2.9694710401	 1.1569316763	 0.090364
+H	 0.3730041583	 3.7978124083	-0.4240794002	 0.098512
+19
+0 1847	2.2584052	1.8621815	1.434473	3.1047	75.22	-0.22138	-0.0169	0.20448	1004.1325	0.157366	-422.563718	-422.555535	-422.554591	-422.596039	31.488
+C	-0.7536736227	 2.3558481583	 0.601295051	-0.469201
+C	-1.0251308173	 0.9974594358	 0.0100648147	 0.308079
+C	-2.0019039513	-0.0269163327	 0.6761479017	-0.306318
+C	-1.1412802077	-1.1623257628	 0.0335231863	-0.151087
+C	-1.5168940372	-1.3087697717	-1.4617356966	-0.237346
+C	-1.9914478959	 0.0580938409	-1.9958329718	-0.070909
+O	-1.319863297	 1.1613638645	-1.3889560135	-0.311604
+C	 0.0169915231	-0.1503213625	 0.0972997694	 0.407921
+O	 1.199636411	-0.2172842914	 0.262418403	-0.322351
+H	-0.4531425232	 2.2657939182	 1.6487837728	 0.122174
+H	 0.0548148998	 2.845207673	 0.0511899869	 0.142105
+H	-1.6445226702	 2.9880455847	 0.5399638649	 0.124678
+H	-1.9035065283	-0.0026061494	 1.7639450886	 0.11494
+H	-3.0566520664	 0.0323683197	 0.4035598712	 0.111386
+H	-1.0274464473	-2.1211669533	 0.5412964303	 0.088512
+H	-0.6486689497	-1.6734220266	-2.0204574895	 0.124493
+H	-2.3179614651	-2.0460138466	-1.5873757026	 0.108152
+H	-1.8107093599	 0.1506754627	-3.0701926314	 0.11625
+H	-3.0746182047	 0.1573381592	-1.8405276854	 0.100126
+19
+0 1848	2.3246997	1.8042532	1.4144948	1.9922	75.12	-0.23565	-0.01325	0.2224	1004.7252	0.157759	-422.567247	-422.559122	-422.558178	-422.599561	31.106
+C	-0.758456008	 2.3684336187	-0.7085792533	-0.484834
+C	-1.0738518653	 1.0317740531	-0.0690320751	 0.154605
+C	-1.8751941782	-0.0940001475	-0.8093285783	-0.276658
+C	-1.0413282702	-1.1208474744	 0.0204736677	-0.170684
+C	-1.6652205108	-1.2146021381	 1.4374446243	-0.088743
+O	-2.3539225758	-0.0187059618	 1.7603518373	-0.246631
+C	-1.702174454	 1.1703579532	 1.3511342691	-0.112979
+C	 0.0260017426	-0.02676217	 0.0773674495	 0.408799
+O	 1.2237401716	 0.0024419699	 0.1107077386	-0.332335
+H	-0.084575857	 2.9528193464	-0.0729191689	 0.13352
+H	-0.2624232211	 2.2321545057	-1.6739323168	 0.128141
+H	-1.6676781144	 2.9575307917	-0.869595659	 0.120388
+H	-2.9549892275	-0.1047597204	-0.6547893871	 0.117839
+H	-1.6370237162	-0.1316370002	-1.8742015208	 0.109868
+H	-0.7849123933	-2.1023346261	-0.3808882406	 0.091053
+H	-2.4137628438	-2.0121641832	 1.4772716543	 0.118358
+H	-0.8820616018	-1.4416192407	 2.1777382619	 0.109276
+H	-2.4739787976	 1.9479024085	 1.3422047829	 0.114025
+H	-0.9230481891	 1.471126685	 2.0698945243	 0.106992
+19
+0 1849	2.3436058	1.7767354	1.406291	3.2717	74.9	-0.22216	-0.01885	0.20331	1011.0915	0.157496	-422.560361	-422.552176	-422.551232	-422.592694	31.41
+C	-0.8306660438	 2.3689632745	 0.7727714914	-0.478607
+C	-1.0649494712	 1.0662337471	 0.0354416597	 0.179454
+C	-1.9603520562	-0.0724659345	 0.6413713971	-0.31476
+C	-1.0492249913	-1.0943752276	-0.1025547966	 0.003035
+O	-1.3836955843	-1.231434569	-1.4820518707	-0.274924
+C	-2.0097556059	-0.0732111249	-2.0354461081	-0.074926
+C	-1.4656480982	 1.248254036	-1.4562619032	-0.269007
+C	 0.0446038465	-0.005682675	 0.0267998071	 0.407364
+O	 1.2281180804	 0.0132895271	 0.1995189334	-0.32169
+H	-0.5069264645	 2.1856439273	 1.8018745236	 0.123803
+H	-0.0490487243	 2.9561318177	 0.2793848214	 0.132755
+H	-1.7412095502	 2.9773192656	 0.802600899	 0.117252
+H	-1.8334023699	-0.1549792	 1.7240631346	 0.11457
+H	-3.0238412757	-0.0733292398	 0.3973134398	 0.11262
+H	-0.8883528695	-2.0944634057	 0.3014121258	 0.096721
+H	-1.8486844293	-0.130686066	-3.1152292269	 0.117606
+H	-3.0938806862	-0.1297617568	-1.8662076004	 0.101231
+H	-0.593854694	 1.5990965453	-2.0193974669	 0.122138
+H	-2.2370153322	 2.0237843887	-1.5410665201	 0.105368
+19
+0 1850	2.2896087	1.8150839	1.4206528	2.0736	74.66	-0.2432	-0.01754	0.22566	1012.563	0.157344	-422.573707	-422.565488	-422.564544	-422.606161	31.454
+C	-0.8843339923	 2.2530532196	 0.8248396076	-0.477096
+C	-1.0370119401	 1.0193485278	-0.0286873435	 0.282486
+C	-1.47234005	 1.2593410925	-1.4954700793	-0.267834
+C	-2.1744392456	-0.0071488133	-2.0394001879	-0.187898
+C	-1.5581739411	-1.3157371255	-1.4897854197	-0.238629
+C	-1.1029408519	-1.0635115452	-0.0375866647	-0.03095
+O	-1.915342672	-0.0069890202	 0.5544861341	-0.330125
+C	 0.0556017568	-0.0624893945	-0.0493574707	 0.389207
+O	 1.2479105601	-0.0937987562	-0.0007509499	-0.31311
+H	-0.5574740523	 1.9921063405	 1.8342706768	 0.133829
+H	-0.1409858096	 2.9217901877	 0.3798813203	 0.135432
+H	-1.8348494198	 2.7919794486	 0.8914059193	 0.130012
+H	-2.1522039975	 2.1169261773	-1.5492696227	 0.106426
+H	-0.587397733	 1.5190777109	-2.0890732432	 0.116279
+H	-3.2189543884	 0.0285247194	-1.7223068413	 0.121723
+H	-2.1735938817	-0.0095526245	-3.1329554477	 0.100722
+H	-2.2952862996	-2.1236567801	-1.5284897828	 0.111219
+H	-0.6949647663	-1.6415250877	-2.0825298021	 0.117193
+H	-1.0428233858	-1.9565145572	 0.5884119872	 0.101113
+19
+0 1851	2.3411927	1.772622	1.3790651	2.414	74.45	-0.23684	-0.01607	0.22077	1011.4884	0.158322	-422.582338	-422.574266	-422.573322	-422.614524	31.487
+O	-0.9175423664	 2.4175862587	-0.3967135654	-0.486168
+C	-1.1403523438	 1.1519053861	 0.1392849414	 0.315006
+C	-1.9719623694	 0.0498452315	-0.6295972889	-0.306406
+C	-1.0475040621	-1.0144397424	 0.0526154936	-0.140697
+C	-1.5037725005	-1.3037968462	 1.5040002844	-0.215375
+C	-2.224781473	-0.0740090186	 2.1017007517	-0.215676
+C	-1.6410495342	 1.2630473063	 1.5956605416	-0.243578
+C	-0.0184038867	 0.1191892921	 0.0708486754	 0.362336
+O	 1.1538746239	 0.2221713748	-0.1704625743	-0.342525
+H	-0.0952767179	 2.3774784982	-0.9011624139	 0.291931
+H	-3.041996113	 0.0021205873	-0.4237286975	 0.110121
+H	-1.8002115942	 0.1088097576	-1.7063390681	 0.112197
+H	-0.7816388243	-1.915911552	-0.5003475915	 0.091419
+H	-2.1725706955	-2.1707674961	 1.518306166	 0.106176
+H	-0.6269559599	-1.5766098099	 2.102347106	 0.115483
+H	-3.2828259367	-0.1221774413	 1.8262833969	 0.111199
+H	-2.1993566843	-0.1105624525	 3.1947011091	 0.104466
+H	-2.3985773475	 2.0532304146	 1.6315927179	 0.11496
+H	-0.8052050745	 1.6004175617	 2.2185506056	 0.115129
+19
+0 1852	2.7277302	1.844863	1.5583382	1.7445	74.51	-0.25304	-0.00722	0.24581999999999998	941.2321	0.158908	-422.56731	-422.56	-422.559055	-422.598357	30.05
+C	 0.0396732747	-0.1295843601	-0.1713723085	-0.468534
+C	 1.2997874039	 0.3666273616	 0.5051896633	 0.379998
+C	 2.2138336697	 1.3010995025	-0.314463616	-0.240611
+C	 3.1622449995	 1.7209316923	 0.8193143275	 0.063567
+O	 3.9954808786	 0.5839693825	 1.1212050671	-0.276182
+C	 3.2484448487	-0.524711475	 1.5794705054	 0.027297
+O	 2.097941754	-0.8070408186	 0.8091523408	-0.30898
+C	 2.1702195529	 1.9883036028	 1.9514720996	-0.109514
+C	 1.1066230971	 1.2033016182	 1.7752570324	-0.120143
+H	-0.5265536665	-0.781498049	 0.5007396978	 0.122776
+H	-0.5950970048	 0.7138765348	-0.4592072323	 0.117096
+H	 0.290173672	-0.7018843519	-1.0689609693	 0.127669
+H	 2.7290561768	 0.7753290121	-1.1206978279	 0.103793
+H	 1.6586432689	 2.1563003554	-0.7101438009	 0.095248
+H	 3.8478299921	 2.5382839167	 0.5929806183	 0.077634
+H	 3.9015225915	-1.3967165393	 1.4987975143	 0.114988
+H	 2.9629546856	-0.370337018	 2.6302906688	 0.085726
+H	 2.3734365956	 2.6315356084	 2.7989307419	 0.105623
+H	 0.2656931395	 1.0791602346	 2.4476856577	 0.102549
+19
+0 1853	2.7401558	1.828624	1.5462876	2.23	74.3	-0.25043	0.00112	0.25155	947.6152	0.158712	-422.57345	-422.566079	-422.565135	-422.604577	30.167
+C	-0.0295413049	-0.1273690414	 0.1389078751	-0.46462
+C	 1.463525888	 0.0602297165	-0.0443936487	 0.334947
+C	 2.0397107068	-0.6005884719	-1.3200053814	-0.237388
+C	 3.57397174	-0.4171151201	-1.3522326396	-0.07945
+O	 4.1953301781	-0.5859509621	-0.0746818048	-0.264457
+C	 3.4475166885	-0.0066435429	 0.9831931772	 0.124227
+O	 2.1648331215	-0.5894125436	 1.0377176978	-0.262997
+C	 3.1410360561	 1.4636328131	 0.7075014858	-0.102139
+C	 1.9772046574	 1.4965389155	 0.0672872361	-0.136247
+H	-0.3510629172	 0.300994712	 1.0922373855	 0.128666
+H	-0.5812711312	 0.3622677921	-0.6698107482	 0.114712
+H	-0.2840414155	-1.1912456675	 0.1346781693	 0.127612
+H	 1.7790988859	-1.6633027259	-1.2825171263	 0.111827
+H	 1.6088361689	-0.1774268329	-2.2349449608	 0.094358
+H	 4.0395597935	-1.1571588147	-2.0083904673	 0.109192
+H	 3.8109747139	 0.5783963419	-1.7501599449	 0.096963
+H	 3.993862591	-0.2371116749	 1.8987633651	 0.088536
+H	 3.827276866	 2.2770200433	 0.9008998181	 0.110546
+H	 1.4822793133	 2.3494549135	-0.3796831879	 0.105714
+19
+0 1854	2.6728328	1.8647711	1.5555727	0.8029	75.	-0.22839	0.00974	0.23813	946.0086	0.158292	-422.563881	-422.556397	-422.555453	-422.595145	30.302
+C	 0.0253129891	 0.3695377262	 0.5761551892	-0.465345
+C	 1.4720180331	 0.3257832875	 0.1251549377	 0.300594
+C	 1.6698915423	-0.4056581224	-1.2234468989	-0.089413
+O	 3.0409864275	-0.444108964	-1.6004569018	-0.258881
+C	 3.9253592623	-0.8302855159	-0.5561215124	-0.074466
+C	 3.5931741411	-0.068578197	 0.7405739363	-0.004743
+O	 2.2491538994	-0.4338523205	 1.0731531927	-0.288834
+C	 3.4762676644	 1.4242462571	 0.4665211886	-0.074731
+C	 2.2230825246	 1.6556666553	 0.0929243259	-0.104128
+H	-0.042530395	 0.8177249425	 1.5709031462	 0.131379
+H	-0.5795700445	 0.9626023146	-0.1168943757	 0.117127
+H	-0.3942073907	-0.6398638489	 0.6246670528	 0.126241
+H	 1.2651346871	-1.4248082711	-1.1165546033	 0.092008
+H	 1.1483810037	 0.0979202147	-2.0440018943	 0.10316
+H	 3.8442338217	-1.9092764531	-0.350805482	 0.09546
+H	 4.9355372978	-0.6128291399	-0.9178419167	 0.105005
+H	 4.2571341659	-0.3554735756	 1.561157621	 0.080539
+H	 4.3049684475	 2.1195148526	 0.4890194245	 0.106285
+H	 1.7913942928	 2.5844222578	-0.2567706898	 0.102745
+19
+0 1855	2.667829	1.8997313	1.5824574	1.9434	74.57	-0.24866	0.00278	0.25144	939.5301	0.158501	-422.57517	-422.56778	-422.566835	-422.606307	30.271
+C	 0.0928214216	-0.351546448	 0.108162817	-0.460004
+C	 1.5392369908	 0.0554296526	-0.0434015261	 0.419755
+O	 2.3522055013	-0.662744392	 0.872450926	-0.264965
+C	 3.5933949492	 0.0530656613	 0.8350948051	 0.021223
+C	 4.2636681913	-0.3685290622	-0.4874694167	-0.221103
+C	 3.3143969794	-0.0134498422	-1.6534514672	-0.073653
+O	 1.9380545479	-0.2821285202	-1.3719475588	-0.29188
+C	 3.137498283	 1.5057719347	 0.7756875174	-0.106272
+C	 1.9102758917	 1.5092926569	 0.2665388375	-0.120918
+H	-0.2521492024	-0.1301359348	 1.1205593495	 0.126828
+H	-0.5267232811	 0.1884055462	-0.6118772542	 0.124559
+H	-0.005661995	-1.4233871384	-0.0785338794	 0.135395
+H	 4.1834916428	-0.2136977576	 1.7151846517	 0.080562
+H	 5.2291310289	 0.1266133483	-0.6421933953	 0.096345
+H	 4.4370121251	-1.4480072663	-0.4418504371	 0.114535
+H	 3.438891227	 1.0473125553	-1.9087115634	 0.096402
+H	 3.5543009309	-0.5997449817	-2.5444748538	 0.108137
+H	 3.7612280242	 2.3543755595	 1.0252666865	 0.107191
+H	 1.2941646235	 2.3572204887	-0.0012490287	 0.107863
+19
+0 1856	2.6266211	1.8241759	1.514563	2.1772	74.73	-0.2365	0.00953	0.24603	947.5344	0.159152	-422.571362	-422.563999	-422.563055	-422.602436	30.34
+O	-0.685938312	 0.2509787574	 0.0948118308	-0.498337
+C	-1.7420578547	-0.6592772392	-0.1224181835	 0.348653
+C	-2.4622387302	-1.1815875186	 1.1372580355	-0.27337
+C	-3.2996934812	-2.2995208811	 0.4794062306	-0.091565
+C	-4.4024915987	-1.5931368161	-0.3501371674	-0.068133
+O	-3.8580327219	-0.7721386337	-1.3715079934	-0.248741
+C	-2.8032533154	 0.0868384162	-0.9654287274	-0.089636
+C	-2.2675056146	-2.908679618	-0.4620265163	-0.063311
+C	-1.3853175853	-1.9730070624	-0.8123226228	-0.135567
+H	-0.0406064004	-0.1768877849	 0.667921585	 0.274574
+H	-1.7407543914	-1.5937618039	 1.8512559147	 0.085312
+H	-3.0609714016	-0.4138450686	 1.6372378779	 0.094303
+H	-3.7556795617	-3.0017234556	 1.1832029614	 0.067677
+H	-5.038729554	-2.3177022988	-0.8675036845	 0.106861
+H	-5.0395615688	-1.0026146217	 0.3300205719	 0.086776
+H	-2.3557197585	 0.476146314	-1.883962411	 0.114186
+H	-3.1820639481	 0.9380180663	-0.37709253	 0.092978
+H	-2.328283231	-3.9186205887	-0.8503524415	 0.098154
+H	-0.5877151207	-2.0541402027	-1.5412890401	 0.099186
+19
+0 1857	2.682792	1.7816256	1.4999203	1.496	74.42	-0.24287	-0.00149	0.24138	950.8045	0.159368	-422.573792	-422.566515	-422.565571	-422.604754	30.344
+O	 0.4720485396	 0.5445414433	 0.7705135708	-0.501033
+C	-0.830598003	 0.980548601	 0.4433126389	 0.380512
+C	-1.8572386848	-0.1261359408	 0.1147837947	-0.271869
+C	-3.1395506426	 0.7216076665	 0.1567715639	 0.073235
+O	-3.1957191287	 1.5197170642	-1.0369399884	-0.276552
+C	-2.12131124	 2.4481595502	-1.1677037543	-0.071839
+C	-0.7337298201	 1.8704985726	-0.810492617	-0.240551
+C	-2.889511445	 1.5715374696	 1.401403088	-0.098842
+C	-1.5742456489	 1.7303982701	 1.5516165102	-0.149457
+H	 0.4007249886	-0.0698459278	 1.5094053035	 0.272435
+H	-1.6984428562	-0.6003488158	-0.8563732072	 0.101413
+H	-1.8654970338	-0.8880053213	 0.9018442823	 0.084806
+H	-4.0716143022	 0.1540109293	 0.1629009938	 0.077254
+H	-2.1447723739	 2.7784925046	-2.2098101193	 0.107174
+H	-2.3113857429	 3.3270722262	-0.5369569417	 0.095512
+H	-0.3352401376	 1.2603750906	-1.6278708459	 0.109864
+H	-0.0329450115	 2.6957400271	-0.6435131572	 0.103617
+H	-3.6745307901	 2.0448207752	 1.9788123198	 0.101612
+H	-1.0609902268	 2.3499171053	 2.2786896751	 0.102709
+19
+0 1858	2.3929159	1.7288555	1.2288064	2.3703	75.99	-0.23271	-0.01803	0.21468	1069.7563	0.155093	-422.573413	-422.56434	-422.563396	-422.606841	33.732
+C	-3.5467252757	-1.346002844	-0.3324651849	-0.463778
+C	-2.2907318082	-0.75653182	 0.2395900273	 0.407703
+C	-1.5113038839	-1.3857280582	 1.3471140496	-0.388675
+C	-0.8781697934	-1.2325471253	-0.0519890995	 0.124176
+C	-0.4577169374	-2.4319804654	-0.8615521727	-0.482088
+C	-0.0878108279	 0.0266505349	-0.1906212353	 0.34361
+O	 1.045435234	 0.134494842	-0.5886094908	-0.324411
+C	-1.017473217	 1.1865774448	 0.1899586051	-0.207852
+O	-2.332729379	 0.6614043043	 0.2568614456	-0.300962
+H	-4.4114069787	-1.0372748249	 0.2636089063	 0.136619
+H	-3.7013241646	-1.0032118723	-1.3598574253	 0.130342
+H	-3.50254492	-2.4379323167	-0.3286679792	 0.122554
+H	-1.1549242587	-0.7680385837	 2.1647380357	 0.124335
+H	-1.7513309459	-2.407268716	 1.6234656198	 0.124014
+H	-1.1028923476	-3.2933202399	-0.6677188364	 0.115695
+H	-0.4880201895	-2.2172230865	-1.9344366038	 0.130209
+H	 0.5703999215	-2.7110651316	-0.6112252022	 0.141859
+H	-0.7052834214	 1.6238441592	 1.1496760073	 0.12701
+H	-0.9710299166	 1.9743008293	-0.5689641967	 0.13964
+19
+0 1859	2.4650476	1.7030962	1.2271427	4.514	75.26	-0.25768	0.01491	0.27259	1068.7742	0.156613	-422.602691	-422.593885	-422.592941	-422.63572	32.904
+C	-3.4298224088	-1.4139556587	-0.653021252	-0.488371
+C	-2.2862108741	-0.8026336142	 0.116730108	 0.263668
+C	-1.6990634283	-1.4680206172	 1.3270801813	-0.364944
+C	-0.852494675	-1.2998582011	 0.0703669552	 0.120077
+C	-0.3143985574	-2.4785321223	-0.6987860198	-0.482019
+C	 0.0026104396	-0.0689356824	 0.1319832875	 0.422872
+O	 1.1935674816	 0.0078146882	 0.0313676402	-0.350952
+O	-0.784533208	 1.0322517763	 0.3283814693	-0.234943
+C	-2.1723281786	 0.7164133436	 0.1423641442	-0.141582
+H	-4.3928700676	-1.1382104834	-0.2081407586	 0.128433
+H	-3.4346149546	-1.0770276064	-1.6955651167	 0.125791
+H	-3.3705292491	-2.5058412105	-0.6523780871	 0.127122
+H	-1.4640833485	-0.8763833927	 2.2069045429	 0.127973
+H	-2.020169808	-2.4830410156	 1.5384517188	 0.119475
+H	 0.6597180395	-2.7709853591	-0.2963259011	 0.147418
+H	-0.9862145859	-3.3384592747	-0.6320932273	 0.115498
+H	-0.1743878371	-2.2349190243	-1.7567872285	 0.129142
+H	-2.7368422715	 1.179347335	 0.9583818693	 0.120711
+H	-2.5046517382	 1.1556229494	-0.8065223655	 0.11463
+19
+0 1860	2.374462	1.7285513	1.2389232	2.7058	76.4	-0.23705	-0.01901	0.21804	1062.7843	0.156246	-422.587514	-422.578776	-422.577831	-422.62039	33.498
+C	-3.4230020197	-1.6588207279	-0.2085697118	-0.47839
+C	-2.3058586536	-0.8110979556	 0.3424624038	 0.255013
+C	-1.6076608544	-1.2110600813	 1.615724967	-0.3922
+C	-0.8463407038	-1.283537584	 0.3067862483	 0.325163
+O	-0.4190381799	-2.5074821778	-0.1687315445	-0.479514
+C	-0.0293766352	-0.1046660343	-0.0766865825	 0.346438
+O	 1.0468872258	-0.2070423059	-0.6246290083	-0.35426
+C	-0.8357620777	 1.1647751012	 0.1747714505	-0.347708
+C	-2.308578667	 0.6990705086	 0.0695544857	-0.272635
+H	-4.373788235	-1.42921961	 0.2862766689	 0.120039
+H	-3.553945053	-1.4856546186	-1.2824048838	 0.120509
+H	-3.2124348831	-2.722276401	-0.0658999154	 0.136507
+H	-1.3495398215	-0.4711418983	 2.3680144527	 0.112162
+H	-1.8555986955	-2.1903965361	 2.0121195126	 0.131333
+H	 0.4034974358	-2.3145066572	-0.6454225655	 0.294892
+H	-0.5941157878	 1.5540792061	 1.1709672613	 0.133068
+H	-0.5635680103	 1.9375249588	-0.5459618274	 0.133383
+H	-2.9704936615	 1.2364071722	 0.7576423312	 0.104895
+H	-2.6802637829	 0.879859001	-0.9452008131	 0.111305
+19
+0 1861	2.3720841	1.7133011	1.2155495	3.8083	75.73	-0.23411	-0.00861	0.2255	1067.4579	0.156006	-422.587314	-422.578386	-422.577442	-422.620441	33.854
+C	-0.2271824657	 2.5390569904	-0.3611714801	-0.479287
+C	-0.7438930323	 1.2470913306	 0.215494625	 0.175611
+C	-1.5883816558	 1.2588926621	 1.5023076134	-0.397663
+C	-2.2033883581	 0.8167688873	 0.2145127782	 0.365788
+O	-3.1355626095	 1.6314985052	-0.4237489212	-0.468225
+C	-2.2839956909	-0.6882942438	-0.0346940379	-0.282885
+C	-0.8601400309	-1.2196704503	 0.2272235914	-0.345807
+C	 0.0603123742	-0.0041424641	 0.0338720887	 0.37115
+O	 1.2244076644	-0.048782992	-0.2815174896	-0.328817
+H	 0.6523869566	 2.8863965689	 0.1888074628	 0.130003
+H	 0.0696758824	 2.4043323155	-1.4054234665	 0.130987
+H	-0.9979492811	 3.3126648603	-0.322377316	 0.12439
+H	-1.3859740888	 0.5455442744	 2.29513765	 0.116266
+H	-1.848846949	 2.2555597725	 1.8429623056	 0.12316
+H	-3.9382097097	 1.6483435437	 0.1085940227	 0.287285
+H	-3.0457281243	-1.1738260358	 0.5855227833	 0.096731
+H	-2.5642914881	-0.8397731281	-1.0821347711	 0.120293
+H	-0.7434047255	-1.5921080324	 1.2519074512	 0.129051
+H	-0.555008708	-2.0274402343	-0.4402420099	 0.13197
+19
+0 1862	2.4320446	1.723317	1.1929592	3.0166	75.53	-0.23505	-0.02355	0.21150000000000002	1083.7822	0.155193	-422.58807	-422.579	-422.578056	-422.62151	33.741
+C	-3.3577504045	-1.5729443123	 0.6322052942	-0.483855
+C	-2.1996322188	-0.7607016494	 0.1222622063	 0.341921
+C	-2.2892274626	 0.7641434321	 0.1187498308	-0.283972
+C	-0.8601362443	 1.2484989965	-0.203698158	-0.340159
+C	 0.0534607118	 0.0829208084	 0.1863471766	 0.382699
+O	 1.2160318033	 0.1481744366	 0.4968050749	-0.317049
+C	-0.7780522193	-1.1824945566	 0.1803360684	 0.225035
+C	-0.2052263314	-2.4550725429	 0.7258577685	-0.497441
+O	-1.5391852451	-1.2405611082	-1.0555707466	-0.328186
+H	-3.5810945399	-1.3173045424	 1.6731146918	 0.126879
+H	-4.2537762142	-1.3655142672	 0.0367149025	 0.132769
+H	-3.1514825049	-2.6431669615	 0.5690841892	 0.134568
+H	-3.0332496318	 1.1105364943	-0.6053847265	 0.113745
+H	-2.607292301	 1.1124713521	 1.1077823331	 0.111014
+H	-0.7337005014	 1.4395801546	-1.27398715	 0.144919
+H	-0.5639638966	 2.1533210743	 0.3298881686	 0.128861
+H	 0.0551856649	-2.3346347376	 1.7817611415	 0.134246
+H	-0.9098675124	-3.2825410371	 0.6242009092	 0.128195
+H	 0.7134895783	-2.7099899338	 0.1893620256	 0.145811
+19
+0 1863	3.008774	1.1956997	0.9992105	3.6111	77.22	-0.23534	-0.02205	0.21328999999999998	1239.8939	0.153666	-422.543414	-422.53388	-422.532936	-422.5778	34.477
+C	 2.9686131175	 2.1068735181	-3.9012028458	-0.50224
+C	 2.6641423788	 1.4777976803	-2.5818428452	 0.353572
+C	 1.4594191587	 0.6044452603	-2.1942432455	-0.319874
+C	 1.6401349726	 1.075325168	-0.7010521135	-0.141564
+C	 1.9438323363	 0.0155152897	 0.3230738513	 0.154498
+O	 1.3175754993	-0.1503822478	 1.3410140748	-0.261465
+C	 2.8559984384	 1.9176581102	-1.1833664162	 0.319475
+C	 3.4101015336	 3.1525560114	-0.5521731493	-0.503463
+O	 3.7674589992	 0.9886850394	-1.7941775728	-0.320416
+H	 3.2415990311	 1.343753646	-4.6389505909	 0.136254
+H	 2.0974479593	 2.6480466268	-4.2839476306	 0.126777
+H	 3.8054945623	 2.8045572133	-3.8125549434	 0.135516
+H	 0.5077335448	 0.9425786524	-2.6098818131	 0.116451
+H	 1.5845289717	-0.4638473905	-2.3903783759	 0.11505
+H	 0.8068030744	 1.6894793595	-0.353437324	 0.092857
+H	 2.8172270377	-0.6228484013	 0.0696902871	 0.092374
+H	 3.9057637547	 2.9153545548	 0.3958252245	 0.140157
+H	 4.1458640127	 3.6226992779	-1.2100783416	 0.135937
+H	 2.6122756768	 3.8721532914	-0.3431416597	 0.130105
+19
+0 1864	2.8475327	1.2627651	1.050176	3.1485	76.81	-0.2417	-0.03371	0.20799	1204.712	0.153606	-422.530588	-422.521059	-422.520114	-422.565004	34.417
+C	-0.783991461	 4.0010712358	-1.0205725737	-0.490588
+C	 0.1991540642	 2.9584269183	-0.6038962258	 0.435851
+C	 1.6946071181	 3.04095433	-0.6369263016	-0.39242
+C	 0.9877039232	 1.8769878186	-1.3240269091	 0.188576
+C	 1.1615995064	 1.5064951647	-2.7661309123	-0.494973
+C	 0.419895664	 0.9450405067	-0.2395025063	 0.000811
+O	-0.2035051274	 2.0529944025	 0.4455818057	-0.339604
+C	 1.4160356879	 0.1721818724	 0.5959692756	 0.132163
+O	 1.7841710351	-0.9401860921	 0.315331013	-0.247269
+H	-0.960772827	 4.7076849203	-0.2016926016	 0.137732
+H	-0.4044262643	 4.5670959423	-1.8759674698	 0.126043
+H	-1.7431589695	 3.5508425769	-1.2939909763	 0.130931
+H	 2.1037487403	 3.7651309837	-1.3356124337	 0.116897
+H	 2.2722949546	 2.9183704302	 0.2740033352	 0.116402
+H	 2.0263961052	 0.847268892	-2.9030669349	 0.138334
+H	 0.2799317939	 0.9850128787	-3.1545434887	 0.125022
+H	 1.3256721707	 2.3966806841	-3.3818467961	 0.122689
+H	-0.3291054809	 0.253238839	-0.6442089862	 0.104718
+H	 1.8080701765	 0.7212824559	 1.4801033966	 0.088685
+19
+0 1865	2.7917296	1.220604	1.0766234	3.1871	77.1	-0.24153	-0.01774	0.22379	1199.2832	0.154637	-422.541845	-422.532556	-422.531611	-422.575886	34.316
+C	 3.9835549294	 1.659848062	-3.1347065777	-0.498665
+C	 2.6200059386	 1.5103911185	-2.5267842306	 0.30759
+C	 1.4211612083	 0.9895805379	-3.2951952545	-0.399039
+C	 1.8659925995	 0.2742761715	-2.0494233634	 0.348142
+O	 2.3083693519	-1.0360661045	-2.0502804735	-0.4581
+C	 1.3494362787	 1.0031612118	-0.7928897775	-0.16007
+C	 2.1030763766	 2.2873858561	-1.3088354343	-0.308854
+C	 1.9583303916	 0.4686474045	 0.4764732037	 0.172378
+O	 1.3330213436	 0.1200166282	 1.4445041716	-0.263273
+H	 4.7617096401	 1.6767992557	-2.3633658468	 0.12057
+H	 4.2029784929	 0.8283983064	-3.8114462743	 0.129302
+H	 4.0635277964	 2.5897951061	-3.7098315298	 0.122432
+H	 0.4854759148	 1.5442945611	-3.333120859	 0.105519
+H	 1.6760358667	 0.4631908281	-4.2103684344	 0.115849
+H	 1.5687273791	-1.6131610827	-2.2723305805	 0.291627
+H	 0.2644197465	 1.0691432144	-0.6717495635	 0.081897
+H	 1.4635296265	 3.1510372639	-1.5133924162	 0.107055
+H	 2.9034390038	 2.5951941573	-0.6286315779	 0.110158
+H	 3.0720879351	 0.4208941937	 0.4623908084	 0.075482
+19
+0 1866	2.7818617	1.2072465	1.0385403	1.9705	77.	-0.24153	-0.02516	0.21637	1208.3907	0.154681	-422.541436	-422.532216	-422.531271	-422.575451	34.202
+C	-1.3890619745	-0.9573716969	-0.0082173912	-0.504624
+C	-0.5425742478	-0.7565774001	-1.2335158357	 0.240671
+C	-1.0235524103	-1.1303810521	-2.6248961079	-0.358969
+C	-0.586557833	 0.2729217106	-2.3818695488	 0.376399
+O	-1.4598945987	 1.3051141829	-2.6577334404	-0.453745
+C	 0.9356800663	 0.3684277248	-2.4057464997	-0.332129
+C	 1.0056814692	-0.7260627395	-1.2739671516	-0.126182
+C	 1.6445712939	-0.1889680921	-0.0223949673	 0.161451
+O	 2.5089832845	-0.7393054701	 0.6092702426	-0.257321
+H	-1.3635985298	-2.0005723784	 0.3284392638	 0.131126
+H	-1.0584896047	-0.3333890492	 0.8294425718	 0.118942
+H	-2.4326855026	-0.7031948324	-0.2194584901	 0.12891
+H	-0.4531421981	-1.8038619659	-3.2622292628	 0.106429
+H	-2.1009581569	-1.2423259329	-2.6986078748	 0.122296
+H	-1.2249914756	 2.0600064283	-2.1060795932	 0.284798
+H	 1.4404282341	 0.1323516861	-3.3475505863	 0.112688
+H	 1.3023653973	 1.3364722202	-2.0451208895	 0.100568
+H	 1.4909810882	-1.6677321096	-1.5457452892	 0.08694
+H	 1.2545537585	 0.8100578763	 0.2932040603	 0.061751
+19
+0 1867	2.6221616	1.5106931	1.2604547	1.2419	76.66	-0.21926	0.06619	0.28545	1090.6178	0.154525	-422.498948	-422.490081	-422.489137	-422.53186	34.24
+C	-1.9661383245	-2.3632691561	 0.5884989019	-0.491855
+C	-1.6691195716	-0.9241899579	 0.3343870613	 0.367177
+C	-2.5624177026	 0.0917438083	-0.3452013462	-0.374243
+C	-1.1501834511	-0.0970286509	-0.8308585955	 0.189185
+O	-0.8734090955	-0.3576319743	-2.1554408031	-0.444455
+C	-0.2011235277	 0.4995057256	 0.178351024	 0.402572
+C	 0.3576368344	 1.8685023436	 0.3465911194	-0.339576
+C	 1.2758986636	 0.6837721207	 0.0584240852	-0.359386
+O	-0.7893870062	-0.2449403296	 1.257125269	-0.348013
+H	-2.5705803391	-2.4837403989	 1.4947797495	 0.134445
+H	-2.527600424	-2.7867727351	-0.2492872127	 0.128791
+H	-1.0425921566	-2.9363612778	 0.7188089846	 0.125755
+H	-3.3050832842	-0.3413120757	-1.0091381964	 0.118198
+H	-2.8653311765	 0.9989663447	 0.1710192215	 0.113557
+H	-0.0826172137	-0.9086167102	-2.1923689618	 0.289719
+H	 0.189446649	 2.5980865145	-0.4387841115	 0.122279
+H	 0.3761197049	 2.2733752054	 1.3524838176	 0.126979
+H	 1.7268000231	 0.6146489802	-0.9270300277	 0.112097
+H	 1.8910331781	 0.3144832735	 0.8715894108	 0.126773
+19
+0 1868	2.7663247	1.4541935	1.2396761	1.2553	76.76	-0.22464	0.08115	0.30579	1093.4367	0.155328	-422.509229	-422.500512	-422.499568	-422.542075	33.547
+C	 0.1050283418	-0.7496795254	 0.227606	-0.500235
+C	 1.5083350001	-0.2212933281	 0.2174694803	 0.255065
+C	 2.7050137705	-1.0286765584	 0.6884749133	-0.379577
+C	 2.7154510467	-0.5172200427	-0.7125612871	 0.318947
+O	 2.8993216166	-1.3515052198	-1.7896340294	-0.455074
+C	 3.0325160513	 0.9539047381	-0.7543853263	 0.364963
+C	 4.2398284479	 1.6527462273	-1.1907822272	-0.274453
+O	 3.0737856796	 1.5731422148	-2.0387327794	-0.292352
+C	 1.8947188146	 1.2740017163	 0.2310251649	-0.377467
+H	-0.3534144964	-0.6605650659	 1.2202702975	 0.120925
+H	-0.5306407032	-0.2051613696	-0.4799965817	 0.118114
+H	 0.0860236542	-1.8082226078	-0.0514211533	 0.126861
+H	 3.3920413381	-0.6499148109	 1.4440407004	 0.1024
+H	 2.5208186389	-2.0976684059	 0.7515285245	 0.121596
+H	 2.740359571	-0.8129149235	-2.5766632795	 0.294488
+H	 4.4605937011	 2.6495387503	-0.8122554691	 0.118639
+H	 5.101566538	 1.0818489691	-1.5333202116	 0.120194
+H	 2.181482929	 1.6960078422	 1.2002806071	 0.098775
+H	 1.1475575103	 1.9192961598	-0.2392987536	 0.118192
+19
+0 1869	2.7177595	1.4403207	1.2035052	2.481	76.03	-0.23284	0.06914	0.30197999999999997	1099.6734	0.155022	-422.508804	-422.499989	-422.499045	-422.54176	33.8
+C	-0.2843605794	-0.4819406168	 0.7729661703	-0.512652
+C	 1.1522381371	-0.1342355453	 0.5146598493	 0.171401
+C	 1.622145227	 0.5741935898	-0.7500662115	-0.359686
+C	 1.922686096	 1.2113824216	 0.560477747	 0.369088
+O	 1.4735558065	 2.4921016068	 0.8100248176	-0.456529
+C	 3.1373625632	 0.5484818121	 1.2223761487	-0.408191
+C	 2.3642142563	-0.7850246978	 1.1419213214	 0.421714
+C	 2.4357877895	-1.9307354392	 2.046864592	-0.274211
+O	 2.9363445382	-2.0110703654	 0.7035605509	-0.278901
+H	-0.4762840455	-0.6280641802	 1.8421328228	 0.112696
+H	-0.9440091517	 0.3180337183	 0.4212926023	 0.126961
+H	-0.5759833333	-1.4024365794	 0.2536524092	 0.13029
+H	 2.4076691265	 0.1534861744	-1.3734462641	 0.117039
+H	 0.8199984492	 1.0594532885	-1.2977478453	 0.119411
+H	 1.3872527434	 2.6040493456	 1.7635765813	 0.284296
+H	 4.0883192295	 0.600816651	 0.68264802	 0.113516
+H	 3.2923379746	 0.8741551685	 2.2566627903	 0.098102
+H	 3.1920152644	-1.9546151795	 2.8316590053	 0.111634
+H	 1.5458891783	-2.5270854029	 2.2469379225	 0.114022
+19
+0 1870	2.8064858	1.4479174	1.1975961	0.6953	76.25	-0.24269	0.08263	0.32532	1112.903	0.153981	-422.508325	-422.49925	-422.498305	-422.541659	33.953
+C	 3.4894707628	-0.2921913563	-0.4383714039	-0.501227
+C	 2.5571144865	-0.037088631	 0.6995531191	 0.343611
+C	 2.7305502226	 0.9490370903	 1.8760250857	-0.393465
+C	 1.1888573599	 1.0015989276	 1.9582475798	 0.416151
+C	 0.2622489812	 1.2883396054	 3.0485334481	-0.266249
+O	 0.4820906347	 2.2285489212	 1.9785268314	-0.277498
+C	 1.0780253655	 0.0277339218	 0.7891426294	 0.255902
+C	-0.0330538208	-0.1102520306	-0.195709516	-0.518418
+O	 1.7990603223	-1.1432929099	 1.2260967994	-0.325197
+H	 3.0124654202	-0.9228530871	-1.1933899607	 0.133229
+H	 3.7965132693	 0.6483990522	-0.9066041581	 0.127284
+H	 4.3929707794	-0.8062285027	-0.0911637554	 0.133173
+H	 3.273807517	 0.5585930259	 2.7398018333	 0.110583
+H	 3.1372122021	 1.9200132045	 1.5796562728	 0.119402
+H	-0.7227652638	 0.8242429516	 3.0657727773	 0.117113
+H	 0.6490887936	 1.5953415635	 4.018977188	 0.119286
+H	 0.2845252286	-0.6946272468	-1.0632956478	 0.132302
+H	-0.8920409371	-0.6182828713	 0.2570946456	 0.132778
+H	-0.363067934	 0.8777722917	-0.529667108	 0.141238
+19
+0 1871	2.745001	1.4324689	1.2188279	1.311	76.43	-0.22555	0.06672	0.29227000000000003	1096.0852	0.155451	-422.508567	-422.49978	-422.498836	-422.541348	34.252
+O	-2.9470702403	 0.0197444109	 0.694626586	-0.462684
+C	-1.7821404531	-0.6415028942	 0.3555541761	 0.308454
+C	-0.4197080779	 0.020187754	 0.3931636628	-0.386978
+C	-0.9359909669	-0.506812082	-0.9171322598	 0.278884
+O	-1.0084164329	 0.3310988691	-2.0097839763	-0.448685
+C	-0.7834370323	-2.0138718661	-0.9711332946	 0.326827
+C	 0.4047841673	-2.8057667077	-1.4265860875	-0.328641
+C	-0.8877338754	-2.8377940043	-2.218536835	-0.346411
+C	-1.6401704945	-2.1711290054	 0.3080488095	-0.387578
+H	-2.8972009647	 0.2759234177	 1.6220207836	 0.286577
+H	-0.4769618815	 1.1030790514	 0.4561947767	 0.117891
+H	 0.4324127442	-0.4321704716	 0.8974446133	 0.103287
+H	-1.7783914211	 0.0740136747	-2.5302513603	 0.289201
+H	 1.2465220625	-2.2682410266	-1.8515355251	 0.117671
+H	 0.6762011268	-3.693842449	-0.8649329944	 0.111042
+H	-0.9022554946	-2.3160633527	-3.1710298494	 0.110195
+H	-1.4866513868	-3.7426166022	-2.1934593523	 0.11211
+H	-2.5981826818	-2.6616807138	 0.1143168292	 0.107381
+H	-1.1543343569	-2.645237032	 1.1684540874	 0.091459
+19
+0 1872	2.5560031	1.7829127	1.3579556	1.8867	74.35	-0.2256	0.07575	0.30135	1009.4993	0.155874	-422.524285	-422.516007	-422.515063	-422.556363	32.987
+C	-0.0828460674	-0.1237043132	 0.0123221151	-0.457779
+C	 1.4181728721	-0.0855772772	 0.0091653546	 0.389897
+C	 2.2139979046	 0.205927673	 1.2729715325	-0.425366
+C	 2.25953541	 1.1587497843	 0.0920810722	 0.324216
+O	 1.6460368258	 2.407365153	 0.1883831875	-0.474091
+C	 3.3422439451	 1.0049464178	-0.9633249011	-0.134029
+C	 4.3701261888	-0.1049933468	-0.8525657995	-0.336052
+C	 3.0798673842	-0.3362004687	-1.5940998984	 0.096092
+O	 2.0105396414	-0.9669332052	-0.9269557919	-0.299978
+H	-0.4750705995	 0.6681268446	 0.6551600452	 0.12815
+H	-0.469807584	 0.0298986813	-0.9996322416	 0.125173
+H	-0.4517383911	-1.0870041996	 0.3789864088	 0.123785
+H	 1.6316709151	 0.5475029975	 2.1234842621	 0.112096
+H	 3.0693463834	-0.4083938942	 1.5264085214	 0.114989
+H	 2.1555850272	 2.9429331309	 0.806088035	 0.285707
+H	 3.5584417996	 1.8944225353	-1.5419814048	 0.096196
+H	 5.2645776166	 0.0000731824	-1.4585258537	 0.112265
+H	 4.5343514149	-0.5985548076	 0.0976656861	 0.119341
+H	 3.0832060732	-0.5280940276	-2.6616403597	 0.099388
+19
+0 1873	2.5633364	1.745625	1.3360854	0.6819	73.93	-0.24429	0.07549	0.31978	1014.1762	0.156457	-422.537632	-422.529451	-422.528507	-422.569609	32.513
+C	-0.0144795508	-0.1727774499	 0.0882800827	-0.472051
+C	 1.4948190494	-0.1307056499	 0.0429489013	 0.28581
+C	 2.2494616889	 0.2215907324	 1.3156534394	-0.397372
+C	 2.2584625305	 1.1747690577	 0.1460115436	 0.333436
+O	 1.5787939659	 2.3913887586	 0.1850722793	-0.472126
+C	 3.4522473912	 1.0750064368	-0.7892784397	-0.04006
+O	 4.4018590655	 0.0580712652	-0.4396476128	-0.255936
+C	 3.4323283515	-0.2331818751	-1.4587424877	 0.05062
+C	 2.2145625526	-1.0186538323	-0.9874500658	-0.321328
+H	-0.4035237351	 0.6247834238	 0.7265481331	 0.126361
+H	-0.4444252753	-0.0369625496	-0.9106704625	 0.115037
+H	-0.3746309281	-1.1309559178	 0.480196507	 0.114771
+H	 1.6307271159	 0.509414888	 2.1604129591	 0.104217
+H	 3.1688044479	-0.2966415763	 1.5586518832	 0.131179
+H	 1.9896528325	 2.944181399	 0.8585066399	 0.286715
+H	 3.8567778078	 1.984762063	-1.2248998661	 0.095277
+H	 3.8493033218	-0.4123130208	-2.447245127	 0.096223
+H	 1.5545230063	-1.1951794926	-1.8452815931	 0.104478
+H	 2.4945174516	-1.9987663103	-0.5857747138	 0.114749
+19
+0 1874	2.5475652	1.7507816	1.3388739	1.0981	74.12	-0.24738	0.06953	0.31690999999999997	1011.6931	0.156353	-422.539576	-422.531338	-422.530394	-422.571628	32.606
+C	-0.0407389684	-0.2863482939	 0.0380249178	-0.493732
+C	 1.4595540171	-0.1344086343	 0.0047121965	 0.280081
+C	 2.2407502613	 0.2283276172	 1.2602314115	-0.394478
+C	 2.1549427223	 1.2113685497	 0.1241073411	 0.343304
+O	 1.3835138049	 2.3654196057	 0.2906950986	-0.465346
+C	 3.2927926526	 1.2813259194	-0.9058732417	-0.325454
+C	 3.3338060299	-0.0860702376	-1.5688814583	 0.04342
+O	 3.617764495	-1.1813441259	-0.6870507905	-0.257011
+C	 2.2474947526	-0.9204152399	-1.0256094221	-0.030313
+H	-0.4901347193	 0.521238169	 0.621075766	 0.13175
+H	-0.4663897588	-0.2376467064	-0.9709885218	 0.117041
+H	-0.3396185165	-1.2424935245	 0.4819626676	 0.117493
+H	 1.6416156371	 0.4652811504	 2.1343981109	 0.104086
+H	 3.1741542452	-0.2870933551	 1.4502258674	 0.1318
+H	 1.7592895366	 2.876259905	 1.0152594728	 0.284517
+H	 3.0300767092	 2.0401953089	-1.6510007226	 0.115488
+H	 4.2591962709	 1.5582655463	-0.4702847303	 0.109302
+H	 3.7308585706	-0.1940697806	-2.5753945922	 0.096399
+H	 1.7528654677	-1.7054407334	-1.5919274807	 0.091653
+19
+0 1875	2.4348948	1.829465	1.3552398	0.5931	73.95	-0.25434	0.07636	0.3307	1016.8534	0.155742	-422.547133	-422.538739	-422.537795	-422.579508	32.424
+C	 0.7596251434	 2.1691505651	 2.2672791088	-0.487167
+C	 1.3627340783	 0.8108991053	 2.0356964531	 0.35656
+C	 2.7504980911	 0.5055408526	 2.6078462802	-0.316363
+C	 3.2854336258	-0.5958778495	 1.7070292806	 0.057624
+O	 3.4758009062	-0.1853059072	 0.3432802663	-0.26273
+C	 2.2993697539	-0.9382558834	 0.679248673	-0.041578
+C	 1.0867624857	-0.061292708	 0.8742969315	 0.332657
+C	 0.1866858876	 0.239541315	-0.2900289543	-0.502398
+O	 0.469776596	-0.3173819009	 2.1529529952	-0.340936
+H	 0.6480259831	 2.3560361186	 3.3412298767	 0.128862
+H	 1.4048712858	 2.9525621821	 1.8563873102	 0.127517
+H	-0.2282907692	 2.2506382092	 1.8097323973	 0.129762
+H	 3.3995506261	 1.3873762412	 2.583284143	 0.113384
+H	 2.6726081611	 0.1683132765	 3.6472902718	 0.113759
+H	 4.0108547051	-1.3152696082	 2.0762490772	 0.098494
+H	 2.2174954159	-1.9227141635	 0.2244622709	 0.09691
+H	-0.294803694	-0.6777006274	-0.6469174392	 0.128764
+H	-0.5990959331	 0.9470293647	-0.0180846459	 0.129694
+H	 0.7695463212	 0.6582226179	-1.1170103665	 0.137188
+19
+0 1876	2.6257717	1.7034707	1.3398549	2.1636	73.52	-0.22931	0.06392	0.29323	1009.6317	0.156925	-422.535977	-422.527866	-422.526922	-422.567781	32.927
+O	-2.3876893813	 0.2153515419	-1.1588606274	-0.481762
+C	-2.214030993	 0.2968385187	 0.2219795267	 0.400792
+C	-1.6532609838	-0.9141427357	 0.9466735976	-0.425054
+C	-0.8315940267	 0.3560425201	 0.8122411982	 0.300986
+O	 0.2316904066	 0.3813909784	-0.0974330013	-0.478894
+C	-0.8199121093	 1.3870038595	 1.9288367368	-0.095332
+C	-1.6493031936	 1.1598256468	 3.1682884096	-0.304705
+C	-2.2208926913	 1.9652309192	 2.0288241031	-0.030246
+C	-3.10591722	 1.2900540847	 0.9705284239	-0.301545
+H	-1.5076009988	 0.3170595242	-1.5464865408	 0.28838
+H	-2.0370686631	-1.2303263402	 1.9101780948	 0.11148
+H	-1.3634777352	-1.7269291518	 0.2873116775	 0.109425
+H	 0.8840814868	-0.2750553808	 0.1674406854	 0.29031
+H	 0.0672956074	 2.0066722075	 1.984647992	 0.087633
+H	-2.0393743576	 0.1707321661	 3.3816881662	 0.111209
+H	-1.3627440048	 1.7092438547	 4.0593005466	 0.109199
+H	-2.3730657027	 3.0255254952	 2.1971014173	 0.087458
+H	-3.99827412	 0.8217607568	 1.399965359	 0.104624
+H	-3.4456147999	 2.0327606349	 0.242710715	 0.116043
+19
+0 1877	2.4435505	1.8532675	1.5952012	1.1132	73.66	-0.23389	0.0773	0.31118999999999997	950.1437	0.157351	-422.512948	-422.50516	-422.504216	-422.544548	31.501
+C	-0.0353192558	-0.2289910655	 0.0066734464	-0.490353
+C	 1.4676950537	-0.170413333	 0.0862120632	 0.261109
+C	 2.17298449	 0.3666058216	 1.3250384391	-0.40916
+C	 2.2490648487	 1.1392165229	 0.0466194539	 0.411588
+O	 1.6586254158	 2.3944858451	-0.0142669313	-0.469058
+C	 3.28830659	 0.7554375441	-1.0253205737	-0.021033
+C	 3.7819902577	-0.658767706	-0.6584423816	-0.246604
+C	 2.2963185838	-0.920552625	-0.9801972659	 0.010053
+O	 2.4150859997	 0.1163490985	-2.0337656499	-0.315605
+H	-0.4829395361	 0.6344194591	 0.5087348762	 0.126132
+H	-0.3654925659	-0.2153207652	-1.0381999083	 0.124533
+H	-0.4368182309	-1.1347972459	 0.4748935968	 0.118091
+H	 1.5019190426	 0.7990258709	 2.0619258366	 0.122332
+H	 3.0407574039	-0.1145212816	 1.7610205311	 0.11239
+H	 1.2736912499	 2.4856650773	-0.8949969941	 0.288765
+H	 3.9260595657	 1.5449328212	-1.4228988288	 0.082699
+H	 4.4245527724	-1.0567973688	-1.4433757327	 0.115687
+H	 4.1925549735	-0.8744901059	 0.3279589114	 0.100248
+H	 1.9184162614	-1.8733025336	-1.3519803983	 0.078187
+19
+0 1878	2.4100583	1.8995604	1.5315281	3.2134	74.	-0.23545	0.07531	0.31076	970.4054	0.156102	-422.511551	-422.503517	-422.502573	-422.543488	31.584
+C	 1.385314214	 2.5276261653	 0.9266153082	-0.500894
+C	 1.6953115858	 1.0972717217	 1.2418680429	 0.34872
+O	 0.7772578265	 0.3559480778	 2.0590108596	-0.316416
+C	 1.066774687	-0.1310880431	 0.7402562102	 0.348755
+C	-0.0620818974	-0.3010175547	-0.2283563991	-0.500895
+C	 2.3292963639	-1.0546658387	 0.7227146319	-0.016478
+C	 3.3633918221	-0.132344374	 0.0145035826	-0.241286
+C	 3.1617869342	 0.5723301307	 1.3872202295	-0.016461
+O	 2.9778334252	-0.7379186966	 1.9801957488	-0.25911
+H	 1.5595999286	 3.1629260249	 1.802220897	 0.134317
+H	 2.0242100721	 2.8950703279	 0.1159105435	 0.123082
+H	 0.3407773825	 2.6478370935	 0.6276325873	 0.132048
+H	-0.6634694756	-1.1799787259	 0.0293778535	 0.134336
+H	-0.7218818681	 0.5704878313	-0.2215398652	 0.132028
+H	 0.3165489353	-0.4433100208	-1.246604754	 0.123078
+H	 2.2163777934	-2.120390074	 0.5240587961	 0.082884
+H	 4.3465009596	-0.5954678579	-0.0831493984	 0.112653
+H	 3.0699891333	 0.3915086244	-0.9005325736	 0.096753
+H	 3.9117655177	 1.1930502884	 1.8773459792	 0.082888
+19
+0 1879	2.5156031	1.838571	1.6392915	2.2948	73.84	-0.22856	0.06168	0.29024	931.1252	0.157918	-422.520647	-422.513015	-422.512071	-422.551921	31.617
+O	 0.216592802	 0.3560501093	-0.1100679941	-0.477444
+C	-0.864320616	 0.2771393957	 0.7743365535	 0.308218
+C	-1.4389280807	 1.550938752	 1.3738775793	-0.441791
+C	-2.1739070045	 0.8166485948	 0.2647025016	 0.415147
+O	-2.2663197917	 1.3849564407	-1.00108413	-0.488518
+C	-3.1003820974	-0.3730471152	 0.5686367595	-0.081473
+C	-2.198685586	-1.5490697682	 0.0436544174	-0.223737
+C	-1.3077041196	-1.1148777356	 1.2641660006	-0.088914
+C	-2.6561308857	-0.8339992282	 1.9839712505	-0.241521
+H	 1.0074572226	 0.5958572505	 0.3827169548	 0.29122
+H	-1.7914293508	 1.6068427785	 2.3969471343	 0.112677
+H	-0.9516445679	 2.4557534828	 1.0230320424	 0.110789
+H	-1.3948459108	 1.2927181727	-1.4107640366	 0.289595
+H	-4.1495911252	-0.2686066707	 0.2947703051	 0.069601
+H	-2.6546349334	-2.5345921254	 0.1698506576	 0.090097
+H	-1.7705559203	-1.4480098127	-0.9558565119	 0.10264
+H	-0.5455386736	-1.7634735592	 1.6980835065	 0.057839
+H	-3.1506821293	-1.7645836156	 2.2700941491	 0.101338
+H	-2.6924502716	-0.1356467661	 2.8206332003	 0.094238
+19
+0 1880	2.5540128	1.6843077	1.2772861	1.5806	74.96	-0.23711	0.06933	0.30644	1044.4058	0.156148	-422.497896	-422.489558	-422.488614	-422.530248	32.394
+C	-0.1587260113	-0.2820499134	 0.3190484384	-0.509659
+C	 1.3253934682	-0.1096762199	 0.1713070342	 0.294738
+C	 2.1642218203	 0.7370469233	 1.1040205361	-0.417443
+C	 2.1706230377	 1.0555351799	-0.3652318688	 0.33558
+O	 1.7161613344	 2.2643953549	-0.8626834946	-0.463829
+C	 3.0583226391	 0.0898010477	-1.1858089132	-0.140389
+C	 4.2779617375	-0.5722337344	-0.5126960412	-0.111837
+O	 3.433955002	-1.5804168794	 0.1042071235	-0.298364
+C	 2.2590750771	-1.082407549	-0.5910155833	 0.056012
+H	-0.4010839419	-1.0148611111	 1.0978068865	 0.123945
+H	-0.6337687945	 0.6656023156	 0.5914261413	 0.126718
+H	-0.6164030168	-0.6243522923	-0.6160078985	 0.118527
+H	 1.5795688275	 1.4403867598	 1.6902956617	 0.109498
+H	 3.0164673432	 0.3095638284	 1.621747884	 0.127819
+H	 2.2589786376	 2.9713629408	-0.4967825791	 0.286565
+H	 3.0805949575	 0.2981789134	-2.253991743	 0.086006
+H	 4.984803875	-1.0300215821	-1.2153776998	 0.101881
+H	 4.8334544185	 0.017484001	 0.2263404415	 0.098698
+H	 1.7631256787	-1.8531915131	-1.1869741056	 0.075535
+19
+0 1881	2.3451122	1.8273625	1.4071262	1.7816	74.91	-0.22948	0.06745	0.29692999999999997	1003.2257	0.156854	-422.512912	-422.504723	-422.503779	-422.545207	31.811
+C	-0.1212791264	-0.4961540669	 0.6178045143	-0.507299
+C	 1.3089747738	-0.1798484803	 0.2886074019	 0.258091
+C	 2.2000702411	 0.6163890022	 1.2294493253	-0.393
+C	 1.9866765304	 1.1488008275	-0.1445033947	 0.381302
+O	 1.4646349068	 2.4030351673	-0.3647126317	-0.460229
+C	 2.8524253142	 0.4093286309	-1.1382714438	 0.021788
+O	 2.2066498913	 0.3356854029	-2.4315584509	-0.307378
+C	 1.6605753139	-0.971765082	-2.1331102313	-0.091747
+C	 2.2009950172	-0.9434440678	-0.6905285975	-0.143744
+H	-0.6092297482	 0.3678900554	 1.0805786101	 0.128961
+H	-0.6968268099	-0.7588071205	-0.2769457291	 0.116466
+H	-0.1997526588	-1.3359892097	 1.3189107016	 0.120883
+H	 1.6560577769	 1.161586701	 1.9948848113	 0.123234
+H	 3.1697948002	 0.2427592431	 1.5549345172	 0.103542
+H	 1.1595662262	 2.4085327679	-1.2817595521	 0.293087
+H	 3.9206093105	 0.63074882	-1.2222449059	 0.076228
+H	 0.5722703986	-1.0099851625	-2.2595714295	 0.102811
+H	 2.1199553518	-1.7391317887	-2.7684897459	 0.103475
+H	 2.7622714205	-1.8103721299	-0.3372507092	 0.073528
+19
+0 1882	2.5645024	1.748045	1.2801395	2.9583	75.21	-0.23561	0.06209	0.2977	1048.4329	0.155323	-422.498349	-422.489905	-422.48896	-422.530871	32.236
+C	 1.7238719556	 2.5249937022	 0.7933468389	-0.5062
+C	 1.9016295571	 1.062105829	 1.0392269925	 0.328086
+O	 1.0099873086	 0.4109823334	 1.9534480084	-0.307753
+C	 1.1293332153	-0.1442965183	 0.6356219378	 0.338181
+C	-0.1196216371	-0.3635420816	-0.1537981064	-0.514423
+C	 2.4425076035	-0.9922226763	 0.6290479462	 0.047829
+O	 2.7573985431	-1.6953068328	 1.8396950149	-0.286404
+C	 3.5243973173	-0.5685841704	 2.34182275	-0.084519
+C	 3.2326967458	 0.2585447385	 1.0679181088	-0.172366
+H	 2.0825558858	 3.1077079566	 1.6497574176	 0.133527
+H	 2.2891553397	 2.8423554435	-0.0889616932	 0.124448
+H	 0.6683935821	 2.7653411819	 0.6402714957	 0.13408
+H	-0.6767923941	-1.2207911955	 0.2408099071	 0.140058
+H	-0.7701717865	 0.5140454786	-0.1046435127	 0.131853
+H	 0.1144838533	-0.5680860356	-1.2036389264	 0.123491
+H	 2.6400454117	-1.5645177259	-0.2819626056	 0.075991
+H	 3.1145438859	-0.1786302811	 3.2775537077	 0.114887
+H	 4.5780916546	-0.8411001547	 2.4720743841	 0.09699
+H	 4.0641215983	 0.6605726586	 0.4914875243	 0.082245
+19
+0 1883	2.4998914	1.6754704	1.2588109	2.3874	74.88	-0.23152	0.07377	0.30529	1048.8756	0.155908	-422.500022	-422.491572	-422.490628	-422.532422	33.178
+O	-0.823197012	 0.2762050437	 3.1817223572	-0.460844
+C	-1.2984851458	 0.0278041915	 1.9083832149	 0.341408
+C	-2.4070952097	 0.8524849439	 1.2920865839	-0.444066
+C	-1.0587643615	 0.798345165	 0.6078730242	 0.34141
+O	-0.3070590691	 1.9352569293	 0.3816175766	-0.460809
+C	-0.8474712497	-0.5276917754	-0.1554416454	-0.079255
+C	-2.0569201724	-1.2604263898	-0.8160922535	-0.245791
+C	-2.3019530278	-2.0482509279	 0.5133408588	-0.245779
+C	-1.0916521367	-1.312406807	 1.1690181254	-0.079262
+H	-1.5499473147	 0.1767868666	 3.8062979372	 0.284568
+H	-3.3134886344	 0.4244835747	 0.8715919828	 0.107647
+H	-2.5523456373	 1.7908921498	 1.8210722394	 0.113304
+H	-0.8160121685	 2.5350747924	-0.1745538885	 0.284567
+H	 0.118958481	-0.5766326955	-0.6577213888	 0.076066
+H	-2.8752308231	-0.6199983708	-1.156646684	 0.095347
+H	-1.7653640387	-1.9041240578	-1.6491633624	 0.100028
+H	-3.2718720296	-1.8953426075	 0.9946032323	 0.095344
+H	-2.1443621461	-3.1242736356	 0.409858346	 0.100038
+H	-0.2986637139	-1.9187483697	 1.6074432038	 0.076078
+19
+0 1884	2.3164046	1.8634178	1.322799	1.5086	76.89	-0.23306	0.00985	0.24291	1026.3668	0.155702	-422.544208	-422.535482	-422.534537	-422.576877	33.713
+C	-0.0443640943	 0.136534893	-0.0716916843	-0.445901
+C	 1.4516160972	 0.0473143025	 0.1006447535	 0.365919
+C	 2.0980818962	-1.1608518615	 0.7495308875	-0.39235
+C	 2.2900409193	-0.880185792	-0.7344433444	 0.29041
+O	 1.5878653113	-1.6980469336	-1.638927212	-0.466468
+C	 3.5684470641	-0.3287731601	-1.260132596	-0.118322
+C	 3.801203333	 0.9796222603	-1.2185113863	-0.080512
+C	 2.8040341838	 1.9066996655	-0.5690755241	-0.135807
+O	 2.0483002532	 1.2752823925	 0.453019198	-0.29825
+H	-0.5106017852	 0.4648956088	 0.8625421653	 0.120523
+H	-0.2986913728	 0.8621450688	-0.851794283	 0.118016
+H	-0.4609274244	-0.829777599	-0.3605359252	 0.129073
+H	 2.9272537997	-0.9695752981	 1.4207058233	 0.11906
+H	 1.4577432389	-1.9994225709	 1.0051683865	 0.107779
+H	 1.9886902948	-2.5739375567	-1.6149756875	 0.283731
+H	 4.2703519362	-1.0250530851	-1.7127983581	 0.086633
+H	 4.6993130773	 1.4179424858	-1.6437436491	 0.096958
+H	 3.3147931864	 2.7425306115	-0.080041206	 0.114949
+H	 2.1427636055	 2.3433738482	-1.338597418	 0.104559
+19
+0 1885	2.3586412	1.7782094	1.3084921	2.0122	76.3	-0.2279	0.01044	0.23834	1031.2481	0.156976	-422.557636	-422.549232	-422.548288	-422.589963	33.362
+O	-2.3125687681	-0.1439715245	-0.9722109015	-0.486075
+C	-2.1932785285	 0.0653002738	 0.403014545	 0.410317
+C	-1.4975278322	-0.9931874801	 1.2445493578	-0.418555
+C	-0.8137150159	 0.3336076764	 0.9369597306	 0.274773
+O	 0.1870850734	 0.3100187143	-0.0616565901	-0.475938
+C	-0.6637164034	 1.3959202084	 1.9647385607	-0.114036
+C	-1.6225971887	 2.3002993377	 2.1660861462	-0.06191
+C	-2.9197246317	 2.2937784131	 1.3874864412	-0.265017
+C	-3.3468927202	 0.8671688831	 0.9948426375	-0.271104
+H	-1.4142147021	-0.0887590492	-1.328265805	 0.286926
+H	-1.8394044381	-1.1766669706	 2.2581158134	 0.112498
+H	-1.1244434136	-1.8625474903	 0.7107460366	 0.105315
+H	 0.8785162559	-0.3010817806	 0.2124947048	 0.290011
+H	 0.2649932452	 1.4224555755	 2.5307610714	 0.081008
+H	-1.481038778	 3.0837172606	 2.9063141972	 0.091517
+H	-3.7125293921	 2.7724711686	 1.9722315969	 0.100841
+H	-2.7992787264	 2.909854333	 0.4847524113	 0.122037
+H	-3.7362327601	 0.3575660892	 1.8824908745	 0.101446
+H	-4.1527755955	 0.8924050616	 0.2561975914	 0.115946
+19
+0 1886	2.7005662	1.4714444	1.1034652	3.4021	75.3	-0.243	-0.0167	0.2263	1139.8262	0.154604	-422.590426	-422.581411	-422.580467	-422.623868	33.891
+C	-3.2116495562	-1.647567598	 0.8879855648	-0.485933
+C	-2.1706862659	-0.7587257945	 0.2635626487	 0.341901
+C	-0.7493576523	-1.2648446882	 0.110104746	-0.390222
+C	 0.0938480937	-0.0107428164	-0.1598760945	 0.397058
+O	 1.2372575464	-0.0060400539	-0.5299334706	-0.301333
+C	-0.7490684358	 1.236072324	 0.1427798518	-0.390221
+C	-2.1705141911	 0.7264448282	 0.2829676699	 0.341901
+C	-3.2112738051	 1.59890975	 0.9304031203	-0.485932
+O	-2.5741809261	-0.0008314745	-0.8948167636	-0.337753
+H	-2.9086516216	-1.9505410621	 1.8959268009	 0.122922
+H	-4.1804081565	-1.1482427486	 0.9487157668	 0.13185
+H	-3.3403314243	-2.5571490518	 0.2911775803	 0.133292
+H	-0.3866196473	-1.7499457195	 1.0255698701	 0.127396
+H	-0.6369700867	-1.9829966293	-0.7075923918	 0.139808
+H	-0.3862211637	 1.6970059581	 1.0706053233	 0.127396
+H	-0.636512152	 1.9753166861	-0.6558758196	 0.139808
+H	-2.9082015527	 1.8753882696	 1.9459093902	 0.122921
+H	-3.3397542608	 2.5237960977	 0.357554783	 0.133292
+H	-4.1801445519	 1.0983873076	 0.978084014	 0.13185
+19
+0 1887	2.6289227	1.5136596	1.1678804	4.3834	75.36	-0.26253	0.01296	0.27549	1112.1261	0.155986	-422.60121	-422.592528	-422.591584	-422.63406	33.138
+C	-3.3122941891	 1.5511537785	-0.5162172246	-0.482276
+C	-2.2277444455	 0.7510766185	 0.1647890448	 0.265076
+C	-2.5409682118	-0.0717376892	 1.4092656721	-0.387427
+C	-2.144456544	-0.7591996656	 0.1309490479	 0.392576
+C	-3.0222315477	-1.7053348814	-0.6346584034	-0.468708
+O	-0.771414113	-1.1413315236	 0.0776267122	-0.249507
+C	 0.0513047376	-0.0523436497	 0.0654127161	 0.411366
+O	 1.2424595638	-0.1525111028	 0.0661934576	-0.33085
+C	-0.7915787179	 1.2243143893	 0.0538080128	-0.43615
+H	-3.4218507841	 2.5360518677	-0.0484934183	 0.127873
+H	-3.0834185065	 1.7100970994	-1.5761806275	 0.122689
+H	-4.2831882205	 1.0512480588	-0.4542767392	 0.120999
+H	-1.8337992971	-0.0823998018	 2.2332689909	 0.123154
+H	-3.5830334215	-0.1303969453	 1.7066693454	 0.11771
+H	-2.967285558	-2.7113712973	-0.2072149339	 0.138999
+H	-4.0644454161	-1.3790676301	-0.5980137394	 0.124168
+H	-2.712311607	-1.7631847108	-1.6827760508	 0.13132
+H	-0.4610898257	 1.8839087779	 0.861535019	 0.141336
+H	-0.6058803361	 1.7517490676	-0.8886827418	 0.13765
+19
+0 1888	2.7139827	1.437797	1.1273889	2.547	75.29	-0.23908	-0.01772	0.22136	1122.0726	0.155506	-422.58459	-422.575789	-422.574845	-422.61758	33.918
+C	-3.3268205193	-1.6217608235	-0.4251100078	-0.477237
+C	-2.2324007486	-0.7945145034	 0.2042101055	 0.294464
+C	-2.5438469434	 0.036830076	 1.4416249466	-0.401722
+C	-2.2370566111	 0.7217396148	 0.1308128357	 0.361233
+O	-3.2654566009	 1.349659546	-0.5733943503	-0.470255
+C	-0.8196157264	 1.2229809737	-0.068362434	-0.393493
+C	 0.0720235928	-0.000917022	 0.1821185737	 0.385099
+O	 1.251833095	 0.0272072057	 0.4138460334	-0.304326
+C	-0.7920741429	-1.2667396263	 0.0919126281	-0.387308
+H	-3.4672325187	-2.5675978548	 0.1099678237	 0.117022
+H	-4.2752411488	-1.0794162752	-0.4197325606	 0.130972
+H	-3.0869538656	-1.8612169382	-1.4674307044	 0.116848
+H	-3.5820575045	 0.0506382106	 1.7561315667	 0.115304
+H	-1.8246017448	 0.0852094541	 2.2555127896	 0.113527
+H	-3.5131889299	 2.1490999982	-0.0968210323	 0.285691
+H	-0.6881357195	 1.5447012788	-1.1098823601	 0.136396
+H	-0.5179009759	 2.0549789501	 0.575595596	 0.121576
+H	-0.6089529776	-1.7312715243	-0.8870428061	 0.128261
+H	-0.4834514799	-1.9918494403	 0.8516482066	 0.127947
+19
+0 1889	2.4281459	1.7772133	1.2429596	1.8457	75.95	-0.22421	0.02083	0.24503999999999998	1041.5123	0.157082	-422.562597	-422.554342	-422.553398	-422.594657	33.141
+O	 0.0527577895	 1.5085381512	 1.430969462	-0.490485
+C	-0.9139027335	 0.7378297505	 0.778644738	 0.381847
+C	-2.3779364058	 1.0773531543	 0.9973278282	-0.389161
+C	-1.7843007189	-0.154595982	 1.6337286525	 0.338083
+O	-1.5931017917	-0.0221796461	 3.0262215677	-0.482168
+C	-2.1802610378	-1.5345226896	 1.1531540721	-0.342474
+C	-1.9725418325	-1.7204835818	-0.3272603557	-0.061858
+C	-1.209691147	-0.9316947496	-1.0841107769	-0.05742
+C	-0.4431138653	 0.259520687	-0.5768129024	-0.31959
+H	-0.163865106	 1.4622771717	 2.3726141072	 0.279569
+H	-2.5857028312	 1.9076718172	 1.6636528685	 0.117943
+H	-3.0827419233	 0.9436951448	 0.1832095677	 0.116892
+H	-0.9440434139	-0.684224475	 3.2942755668	 0.283422
+H	-1.5798405207	-2.2842615278	 1.6949782722	 0.099226
+H	-3.2234285204	-1.7449162178	 1.4261382366	 0.114224
+H	-2.4755368618	-2.5714856675	-0.7790837896	 0.088948
+H	-1.1049924673	-1.1541811032	-2.1430500537	 0.089557
+H	 0.6226506866	 0.0047889333	-0.4905273156	 0.120963
+H	-0.491916239	 1.0809159903	-1.3043712656	 0.112484
+19
+0 1890	3.0112961	1.3216835	1.1108307	1.6901	76.11	-0.22942	0.06856	0.29798	1148.918	0.155699	-422.49189	-422.483317	-422.482373	-422.525213	32.114
+C	 0.9408137776	-2.6279710433	 2.3092196949	-0.488032
+C	-0.3368648182	-1.985114369	 1.8831376472	 0.426381
+C	-0.9353285384	-1.9893610649	 0.5072321837	-0.399178
+C	-0.6971465366	-0.6667227129	 1.2111876401	 0.229077
+C	-1.713752233	-0.531158061	 2.3399565127	-0.146258
+O	-1.3779274685	-1.841071804	 2.8637114201	-0.323438
+C	 0.1538298295	 0.4194361601	 0.667845285	-0.062303
+C	 0.0969331237	 0.8478239512	-0.7394910538	-0.174178
+O	 1.1663182288	 0.0262687307	-0.2651704162	-0.2347
+H	 1.3433304842	-2.1457733439	 3.2053142882	 0.126436
+H	 0.779070545	-3.6877746124	 2.537185981	 0.131955
+H	 1.6821616246	-2.5586875522	 1.5088387033	 0.140882
+H	-0.2333175057	-2.1818062797	-0.2979039957	 0.131066
+H	-1.9454616043	-2.3623278791	 0.3572644644	 0.108209
+H	-1.4586887863	 0.2511266895	 3.0658034622	 0.105303
+H	-2.7724951827	-0.4477913573	 2.0660291931	 0.103801
+H	 0.4932887506	 1.1535783467	 1.4015417996	 0.091602
+H	-0.6028685121	 0.3560951989	-1.4129506086	 0.116711
+H	 0.3764091017	 1.8651979624	-1.0089934112	 0.116666
+19
+0 1891	2.8654567	1.3289377	1.1990463	1.9813	76.58	-0.23126	0.06403	0.29529	1133.2258	0.155668	-422.490032	-422.481423	-422.480479	-422.523418	32.109
+C	-1.7765039124	-2.0352158251	 1.6662712818	-0.490635
+C	-1.6392824407	-1.9733938718	 0.1740199893	 0.198694
+C	-2.4207538125	-1.0300594063	-0.7226661767	-0.397196
+C	-0.9187525355	-1.0042040667	-0.7530490571	 0.455152
+O	-0.4349888167	-2.0536623486	-1.5967564764	-0.326816
+C	-1.0106135839	-3.0496212837	-0.7071680001	-0.127641
+C	-0.0534528008	 0.1729602357	-0.5342866814	-0.060776
+C	 1.1085777787	 0.4298689928	-1.3975898499	-0.173797
+O	 1.2799898049	-0.077144912	-0.0742777583	-0.23697
+H	-2.5986303196	-2.6981981383	 1.9621606121	 0.123213
+H	-0.8589865381	-2.4064799012	 2.1351216366	 0.130015
+H	-1.9883549585	-1.0464353283	 2.0850421878	 0.122467
+H	-2.9565589328	-1.392301392	-1.5964824127	 0.1136
+H	-2.898779458	-0.2081804904	-0.1967729748	 0.114455
+H	-1.6802255033	-3.7383115219	-1.2360931792	 0.102293
+H	-0.2181617587	-3.6131224023	-0.2010910213	 0.112557
+H	-0.5440532707	 1.0189605919	-0.0527703005	 0.09461
+H	 1.330869839	-0.2757862239	-2.1944587827	 0.134733
+H	 1.4409006296	 1.4546838621	-1.5583257566	 0.112043
+19
+0 1892	2.8937677	1.4303445	1.1478187	1.8497	76.21	-0.24206	0.06271	0.30477	1125.5644	0.155452	-422.501861	-422.493252	-422.492308	-422.535076	32.317
+C	-0.2709660724	-3.0655138508	 0.1978711146	-0.503073
+C	-1.0055165507	-2.1044223662	-0.6775552185	 0.339948
+C	-2.4966723384	-2.0842327246	-1.0632330298	-0.279933
+C	-2.38622121	-0.5311466257	-1.252437433	-0.305026
+C	-0.8988464642	-0.6391849777	-0.8724695632	 0.36868
+O	-0.3029157908	-1.5461709956	-1.8067697753	-0.3246
+C	-0.0372693929	 0.3921813549	-0.2420586839	-0.063846
+C	 1.2438136411	 0.8004606302	-0.8392732125	-0.175224
+O	 1.2048442283	-0.050121905	 0.3082447559	-0.23096
+H	-0.1837393199	-4.0425295708	-0.2916397072	 0.126249
+H	 0.7299371706	-2.6848540611	 0.4085788481	 0.156848
+H	-0.8029727483	-3.2108724378	 1.1436600465	 0.120698
+H	-2.7499367688	-2.6713309524	-1.9492015542	 0.109102
+H	-3.1600592286	-2.3608653717	-0.2400696508	 0.105134
+H	-2.5779019643	-0.1398994671	-2.2542529044	 0.10957
+H	-2.9812069473	 0.0238397246	-0.5225182381	 0.105498
+H	-0.5744500522	 1.1112269707	 0.3778136968	 0.093229
+H	 1.5626763762	 0.3167429053	-1.7592746307	 0.1336
+H	 1.6260913325	 1.8046719109	-0.6628715503	 0.114106
+19
+0 1893	2.9163063	1.3840586	1.1407964	2.0427	76.02	-0.21862	0.07564	0.29426	1124.4624	0.156128	-422.502329	-422.493742	-422.492798	-422.535961	32.436
+O	-0.3979520122	-3.082619606	 0.0469392984	-0.461584
+C	-1.0008663573	-2.2279929653	-0.8536384797	 0.394378
+C	-0.3513414973	-1.679190798	-2.0862425559	-0.42105
+C	-0.893236735	-0.704800812	-1.0510896717	 0.28836
+C	-2.4194909395	-0.6236754486	-1.1825397549	-0.304573
+C	-2.5190861577	-2.171140488	-0.9526361196	-0.265804
+C	-0.0194365067	 0.2524516275	-0.3323328331	-0.05639
+C	 1.1249395624	 0.9399932506	-0.9512027063	-0.179
+O	 1.327977998	-0.1977368148	-0.1064347132	-0.249078
+H	 0.5400373839	-2.8638069273	 0.089951129	 0.295217
+H	 0.7325636724	-1.7556700761	-2.0845830316	 0.11909
+H	-0.8102325274	-1.7600924114	-3.0711686366	 0.100413
+H	-2.8896110344	-0.0549776316	-0.3759998546	 0.105566
+H	-2.7954122739	-0.2477536071	-2.1401356306	 0.096854
+H	-2.9954593031	-2.4117778062	-0.0001703384	 0.114697
+H	-2.9782991305	-2.7721466886	-1.7438176046	 0.098819
+H	-0.473260191	 0.7256235871	 0.5407214225	 0.091888
+H	 1.3305050554	 0.7777687118	-2.0078054907	 0.115276
+H	 1.4778677141	 1.885694604	-0.5425085083	 0.11692
+19
+0 1894	3.0252742	1.249963	1.1614262	1.2946	76.38	-0.21534	0.06309	0.27843	1153.7615	0.156127	-422.49404	-422.48556	-422.484615	-422.527194	32.575
+O	 1.6356131581	-0.2473210329	-2.558246411	-0.445074
+C	 0.2819015211	-0.1600974459	-2.3135433813	 0.254929
+C	-0.583709186	-1.39150902	-2.3262909576	-0.375773
+C	-0.6101740226	-0.4811582827	-1.1201858073	 0.392711
+O	-1.4580997301	 0.6471437762	-1.4027409092	-0.322164
+C	-0.5953219953	 1.0733288077	-2.4926651708	-0.1461
+C	-0.4177492898	-0.8588764543	 0.2966771327	-0.112677
+C	-1.559201846	-0.6884170707	 1.2737781715	-0.264387
+C	-0.3491853766	 0.2056984287	 1.3657364881	-0.273123
+H	 2.0861309546	 0.4108830126	-2.0165817877	 0.289057
+H	-1.4505932898	-1.4741176658	-2.9781575881	 0.110729
+H	-0.0163535621	-2.3066849875	-2.1841467874	 0.121676
+H	-1.1397308316	 1.1891168088	-3.4370802077	 0.109148
+H	-0.0877645357	 2.0133985177	-2.2392223047	 0.098153
+H	 0.2089915606	-1.7349133142	 0.4303537381	 0.090349
+H	-2.4732515271	-0.2479552291	 0.8930217807	 0.132735
+H	-1.7016973386	-1.4542512295	 2.0278703151	 0.110932
+H	-0.473622983	 1.2338910009	 1.0459223119	 0.12102
+H	 0.3441038298	 0.0610865897	 2.1868226947	 0.107859
+19
+0 1895	3.1389329	1.2345727	1.0705938	2.0813	76.79	-0.25391	0.00693	0.26084	1189.2245	0.155708	-422.555406	-422.546463	-422.545519	-422.589496	32.735
+C	-1.1832334136	 3.1332938929	-2.895548552	-0.493628
+C	-1.3576596993	 2.9308545973	-1.4188763754	 0.246915
+C	-0.2143409923	 3.0447161017	-0.4247379866	-0.371634
+C	-0.9894956248	 1.7686937391	-0.5126508603	 0.45505
+C	-2.309576518	 1.8497150472	 0.2410021218	-0.288611
+C	-2.6834785693	 3.0849034368	-0.6494948466	-0.274855
+O	-0.3724672654	 0.5642959346	-0.9061051092	-0.258375
+C	 0.2007218851	-0.153787583	 0.0791190806	 0.148205
+O	 0.2207081895	 0.1305043138	 1.2427224436	-0.294076
+H	-1.9745662587	 2.6293259362	-3.4618570432	 0.11931
+H	-1.2154922175	 4.1981548367	-3.1545297886	 0.123316
+H	-0.2221500084	 2.7371358109	-3.2381638088	 0.124499
+H	 0.7725703463	 2.9975622613	-0.8748269702	 0.116258
+H	-0.2813864946	 3.6792461861	 0.4565941268	 0.110102
+H	-2.9566341975	 0.9932290648	 0.0389763308	 0.110161
+H	-2.236791208	 1.9979620895	 1.3210835188	 0.114337
+H	-3.561712563	 2.8987570038	-1.2723943119	 0.105083
+H	-2.8172809767	 4.0365802145	-0.1259731547	 0.100457
+H	 0.6455477661	-1.0581876041	-0.3644124549	 0.107486
+19
+0 1896	3.4534106	0.9747224	0.8914032	2.3889	77.2	-0.23224	-0.02629	0.20595	1349.9123	0.154286	-422.526607	-422.51733	-422.516386	-422.561484	33.403
+C	-1.3998439392	 3.4575408608	-2.9419778449	-0.485705
+C	-1.4868733118	 3.0683817201	-1.5032210112	 0.413233
+C	-0.4389473047	 3.258020971	-0.4472689985	-0.381255
+C	-1.0256344291	 1.8716590453	-0.6869915942	 0.200102
+C	-0.2149573589	 0.6493707829	-1.0266740598	-0.394516
+C	 0.4030624799	 0.0222974342	 0.2108971828	 0.167499
+O	 0.2901885481	-1.1341199519	 0.5234878544	-0.236078
+C	-2.4499724231	 1.8716519573	-0.1378243032	-0.127851
+O	-2.785511035	 3.0652253179	-0.8931114126	-0.320728
+H	-2.0782998242	 2.8549792353	-3.553470638	 0.13129
+H	-1.6731092972	 4.5112338041	-3.0681434212	 0.138162
+H	-0.3799071722	 3.3291383715	-3.3159025831	 0.123063
+H	 0.5761569416	 3.3876493188	-0.8118733068	 0.112769
+H	-0.6771666408	 3.8144853049	 0.4555909604	 0.116401
+H	-0.8125390641	-0.1121798442	-1.5380556408	 0.123644
+H	 0.610901742	 0.9359479218	-1.6936419167	 0.121596
+H	 0.9832613143	 0.7364466321	 0.8396157961	 0.078903
+H	-3.0483837887	 1.018480759	-0.4793692471	 0.111925
+H	-2.585078677	 2.0076897392	 0.9419357043	 0.107547
+19
+0 1897	3.268405	1.0246961	0.9091165	3.3778	76.97	-0.23378	-0.02196	0.21181999999999998	1332.6825	0.154267	-422.525806	-422.516459	-422.515515	-422.560923	33.447
+C	-1.2891654677	 3.4740626946	 2.9952457235	-0.494382
+C	-1.4053682318	 3.1160372956	 1.5434938565	 0.186124
+C	-0.2622638299	 3.1966426306	 0.5436481305	-0.378361
+C	-0.9899673888	 1.8974949948	 0.7409577358	 0.426915
+C	-0.3881986739	 0.5623929857	 1.0710524236	-0.387009
+C	 0.2196837421	-0.1010468521	-0.1543236151	 0.162867
+O	 1.3195178686	-0.5890379532	-0.184673257	-0.23968
+O	-2.199707569	 1.9013818416	-0.0322097719	-0.329526
+C	-2.7059837136	 3.0190927761	 0.7478052068	-0.123731
+H	-2.0524663675	 2.9669981921	 3.5960141683	 0.121973
+H	-0.3087668471	 3.1940483332	 3.39364583	 0.125156
+H	-1.4061611396	 4.5535561853	 3.1486481027	 0.127611
+H	-0.3717804281	 3.7358720462	-0.3939903507	 0.114612
+H	 0.7234128362	 3.2567900095	 0.9963484068	 0.118958
+H	 0.3875464081	 0.6562684431	 1.8357967323	 0.126456
+H	-1.1789860302	-0.0982532661	 1.4536966967	 0.130285
+H	-0.4417776944	-0.1079851391	-1.048080745	 0.09874
+H	-2.9873953719	 3.8730433495	 0.1200867125	 0.105993
+H	-3.5655339619	 2.7052594725	 1.3523127537	 0.106998
+19
+0 1898	3.351739	1.0256563	0.8959257	3.1885	77.11	-0.24311	-0.02526	0.21785	1338.7471	0.153996	-422.539086	-422.529726	-422.528782	-422.574	33.668
+C	-1.2893102189	 3.4704527529	 2.9460681142	-0.499242
+C	-1.6089874616	 2.9664640519	 1.5771102761	 0.341851
+C	-2.9405490903	 3.053327066	 0.808887	-0.278486
+C	-2.5224257624	 1.766144484	 0.0172764092	-0.28486
+C	-1.2145907134	 1.7525257557	 0.827107557	 0.331615
+C	-0.3289579163	 0.5877286291	 1.1608753019	-0.393282
+C	 0.4903705926	 0.1376128565	-0.0384766693	 0.160373
+O	 0.5628937903	-0.9998312018	-0.4241878269	-0.236797
+O	-0.5740660144	 3.0196239052	 0.5770430704	-0.326975
+H	-2.0549088145	 3.1584835204	 3.6635792013	 0.126443
+H	-0.3183900792	 3.0959202326	 3.2817859557	 0.131224
+H	-1.2479742019	 4.5655971294	 2.9530022332	 0.13586
+H	-3.8168413285	 2.8916712503	 1.4415012583	 0.105848
+H	-3.0734957469	 3.9679127404	 0.2263808936	 0.111133
+H	-3.170421998	 0.9122585313	 0.2294848395	 0.110025
+H	-2.3973019635	 1.8688944453	-1.0631787494	 0.113065
+H	 0.3793225188	 0.8987310757	 1.940792678	 0.129813
+H	-0.9070295541	-0.2644461302	 1.5298186583	 0.124172
+H	 1.0394342821	 0.9603997952	-0.546657761	 0.098221
+19
+0 1899	3.1351173	1.0415584	0.9141551	2.9328	77.04	-0.23543	-0.01738	0.21805	1313.0454	0.154756	-422.53764	-422.528315	-422.527371	-422.572796	33.726
+O	-1.1346645526	 3.0723988672	-2.9102676345	-0.462451
+C	-1.3995748549	 2.9718963266	-1.5570131858	 0.349446
+C	-0.3282594397	 3.1030347502	-0.5117937615	-0.39007
+C	-1.0802342691	 1.7894221421	-0.6449020179	 0.28553
+C	-0.376788586	 0.4928829319	-0.9649805392	-0.387934
+C	 0.3779461232	-0.0460677722	 0.2336171268	 0.167102
+O	 1.5585836546	-0.2810611871	 0.2539911064	-0.240328
+C	-2.4529583579	 1.9396592223	 0.0315501555	-0.285463
+C	-2.7925653642	 3.1216793278	-0.9382950413	-0.281478
+H	-0.7651834535	 3.9436956236	-3.0892857096	 0.288924
+H	 0.6835341497	 3.0768017049	-0.9057636592	 0.121685
+H	-0.4594561633	 3.7376444236	 0.3627884296	 0.104771
+H	-1.1189567693	-0.2602025009	-1.268115293	 0.115803
+H	 0.329446198	 0.6253026967	-1.7899415758	 0.12919
+H	-0.251419071	-0.2044700292	 1.1406129498	 0.07233
+H	-3.1039045609	 1.0749158635	-0.1214147586	 0.105118
+H	-2.4351832303	 2.1803684004	 1.0991778241	 0.100357
+H	-3.5794220004	 2.8534416718	-1.6464527042	 0.113561
+H	-3.0311958224	 4.0914099468	-0.4885264116	 0.093907
+19
+0 1900	2.3857605	1.5770745	1.1963591	2.4223	76.92	-0.2371	-0.01917	0.21793	1095.8829	0.156387	-422.565759	-422.557203	-422.556259	-422.598657	32.361
+C	 0.0939125554	 0.3492038121	-0.4507243509	-0.464045
+C	 1.4134594458	-0.1043039048	 0.1089794484	 0.416418
+C	 1.7570396211	-0.0063423793	 1.5569857991	-0.409328
+C	 2.5735242104	 0.8168235921	 0.5511247632	 0.171188
+C	 3.8281426571	 0.1690954782	-0.0047689155	-0.301788
+C	 3.3581692559	-1.2494866017	-0.3838736758	-0.106279
+O	 1.9532958946	-1.1619887966	-0.632768368	-0.287541
+C	 2.4418818269	 2.282639079	 0.5322949825	 0.07691
+O	 3.2560391998	 3.0401272329	 0.0575258966	-0.271344
+H	-0.3143608403	 1.1838334078	 0.123835729	 0.122835
+H	 0.2028022603	 0.6583518146	-1.4941000317	 0.136222
+H	-0.6257342089	-0.4749328697	-0.4132379576	 0.136301
+H	 1.0738729631	 0.5547987619	 2.1879271302	 0.123298
+H	 2.2562556715	-0.8275676427	 2.059589287	 0.126477
+H	 4.1572339231	 0.7409975698	-0.8765113427	 0.132707
+H	 4.6561197423	 0.1452201365	 0.7093920288	 0.113662
+H	 3.8291677852	-1.6407487444	-1.2888920779	 0.119262
+H	 3.5524141883	-1.9599698877	 0.4311351941	 0.102381
+H	 1.5049864085	 2.6694131119	 0.9969468213	 0.062663
+19
+0 1901	2.3183021	1.6031188	1.1802507	3.1478	76.67	-0.24854	-0.02437	0.22417	1099.647	0.156638	-422.566209	-422.557657	-422.556712	-422.599122	32.136
+C	 0.0325705812	 0.2636404992	-0.2711326488	-0.48706
+C	 1.4089204525	-0.1764753247	 0.1656418896	 0.25918
+C	 1.8391781137	-0.1308360469	 1.592453069	-0.377421
+C	 2.5418553048	 0.7800743446	 0.5898122675	 0.188868
+C	 3.8087850425	 0.2123815082	-0.0265426418	-0.151544
+O	 3.5042416905	-1.1456696106	-0.3361267487	-0.255796
+C	 2.1325660728	-1.2148016813	-0.6880873941	-0.128071
+C	 2.3611508709	 2.2384384132	 0.6687049228	 0.073504
+O	 3.1671223788	 3.0465137926	 0.2690952599	-0.271392
+H	-0.3714513065	 1.0449441717	 0.3779110217	 0.126422
+H	 0.0415422287	 0.6466507069	-1.2972998751	 0.129769
+H	-0.6652274472	-0.5810577351	-0.2374765904	 0.129418
+H	 1.1692603319	 0.3514496705	 2.2979506039	 0.120133
+H	 2.4292538946	-0.9453570773	 2.0002012337	 0.136554
+H	 4.0728603508	 0.78990391	-0.9239739233	 0.113974
+H	 4.6691260646	 0.2095477863	 0.6487656161	 0.118961
+H	 1.9753196122	-0.9816844328	-1.7548183622	 0.094154
+H	 1.7947972698	-2.2409539418	-0.5061883382	 0.113363
+H	 1.4075750034	 2.5675538772	 1.1418405384	 0.066986
+19
+0 1902	2.5756519	1.6145726	1.2106963	3.1732	76.39	-0.23902	-0.02633	0.21269000000000002	1073.1659	0.156168	-422.563181	-422.554612	-422.553668	-422.595907	32.473
+C	 0.106988085	 0.175678761	-0.5633940942	-0.486113
+C	 1.4417533691	 0.0261428215	 0.1235439352	 0.261635
+C	 1.8495204694	-1.295926091	 0.7175206476	-0.38718
+C	 2.6176471865	-0.7605943357	-0.4767137414	 0.307651
+O	 3.8256994674	-0.0883141072	-0.2548941685	-0.305054
+C	 3.6114451723	 0.901992827	 0.7541457741	-0.104817
+C	 2.1131257693	 1.263858504	 0.7104556456	-0.287874
+C	 2.5419545453	-1.4233339305	-1.7939990541	 0.090733
+O	 1.6436724834	-2.1574962188	-2.1381473687	-0.277478
+H	-0.6830154324	 0.369807854	 0.1710393353	 0.120259
+H	 0.117974779	 1.0123850241	-1.2708087114	 0.117025
+H	-0.1527351647	-0.7318235053	-1.1132433589	 0.153503
+H	 2.3689248535	-1.3345748461	 1.6693129065	 0.120465
+H	 1.2056388123	-2.1427969003	 0.5051955982	 0.140017
+H	 3.8892030093	 0.4972469664	 1.7364813653	 0.105405
+H	 4.2712766622	 1.7468933719	 0.5409963163	 0.117222
+H	 1.7335078978	 1.5311449904	 1.7017018105	 0.112266
+H	 1.9319731114	 2.1138833289	 0.0437525056	 0.112198
+H	 3.3908428939	-1.1734078544	-2.4655495529	 0.090137
+19
+0 1903	2.3563199	1.6053452	1.1524924	2.7438	76.37	-0.25422	-0.03537	0.21885	1115.7074	0.155981	-422.57708	-422.568403	-422.567459	-422.610153	32.584
+C	-0.0646915792	-0.139529206	-0.0811091628	-0.483756
+C	 1.4321766962	 0.0146540609	-0.1437466052	 0.348909
+C	 2.1936616212	-0.5041010749	-1.3577446748	-0.271202
+C	 3.6334713845	 0.0240037326	-1.1789661597	-0.224686
+C	 3.488954381	 1.3420941304	-0.3852158076	-0.289703
+C	 2.2327446439	 1.1353339213	 0.4361111009	 0.250363
+O	 2.1520710305	-0.1555914954	 1.0781753017	-0.324884
+C	 1.6082270881	 2.2569549471	 1.184450633	 0.085809
+O	 1.8901795576	 3.4170732008	 1.0081678765	-0.25988
+H	-0.4736197618	 0.2688690268	 0.8448998512	 0.133686
+H	-0.5419726395	 0.3619569484	-0.9289469889	 0.131351
+H	-0.3314721866	-1.2009997684	-0.1284020164	 0.133492
+H	 2.1458807969	-1.595675585	-1.4308248726	 0.111121
+H	 1.7243436877	-0.0956869072	-2.2611588333	 0.108302
+H	 4.2128203706	-0.6919740912	-0.5923137294	 0.12201
+H	 4.1489133746	 0.1637428767	-2.1316782208	 0.103716
+H	 4.3607330376	 1.5609569271	 0.2378001977	 0.116644
+H	 3.3319691016	 2.2067488572	-1.0385980152	 0.124493
+H	 0.8552800952	 1.9398432487	 1.9375332257	 0.084213
+19
+0 1904	2.7376367	1.5879154	1.2305903	3.0576	76.48	-0.23624	-0.02856	0.20768	1055.4646	0.157321	-422.579385	-422.571279	-422.570335	-422.61144	32.031
+O	-0.4869283272	-1.5192850363	-1.5960045761	-0.470721
+C	-0.5353623537	-0.1539914468	-1.7488953231	 0.426412
+C	-0.9056261306	 0.7368905097	-0.6257598499	-0.389557
+C	 0.5540447397	 0.7933027196	-1.1018677399	 0.173647
+C	 0.9087236565	 1.8609245544	-2.1212455702	-0.30124
+C	-0.2128040501	 1.7847789422	-3.1906383346	-0.231558
+C	-0.7230102444	 0.3280582232	-3.1730763765	-0.257422
+C	 1.5568655253	 0.1017001188	-0.3003445031	 0.066068
+O	 1.3068343903	-0.8430602596	 0.4329447061	-0.3183
+H	-0.0918993784	-1.7000882366	-0.7256094545	 0.303023
+H	-1.509042224	 1.6231585876	-0.7945652469	 0.119979
+H	-1.0477959767	 0.2589607709	 0.3379948916	 0.13506
+H	 0.9841064443	 2.8650839186	-1.6893075281	 0.1045
+H	 1.8836705633	 1.6272549351	-2.5662188222	 0.107408
+H	-1.0248159967	 2.4696891084	-2.9271904933	 0.110996
+H	 0.1384737904	 2.0857701597	-4.180344071	 0.108453
+H	-1.7621205907	 0.2442827422	-3.5076154923	 0.112072
+H	-0.117446602	-0.3170327664	-3.8186653692	 0.118215
+H	 2.6059052246	 0.4411943952	-0.4349596668	 0.082964
+19
+0 1905	2.1257897	1.6969581	1.3626732	2.3745	76.04	-0.23336	-0.00789	0.22547	1051.5776	0.154538	-422.555211	-422.545913	-422.544969	-422.588499	35.209
+C	-1.1527431348	-1.9423470437	 1.3446209013	-0.456805
+C	-0.9439913717	-1.0536225885	 0.1209483924	 0.087413
+C	-0.6749484458	-1.8948989468	-1.1341488465	-0.458987
+C	 0.1395689594	 0.070766665	 0.1941132706	 0.421997
+O	 1.3364831401	 0.0067315063	 0.2782529592	-0.339407
+C	-0.8248180157	 1.1688510319	-0.0918936939	-0.293685
+C	-1.9904720378	 1.0879837018	 0.9070827814	-0.332365
+C	-1.9619140277	 0.0802099676	-0.1636894214	 0.408227
+O	-3.0231251057	-0.0151673476	-1.0297590719	-0.450834
+H	-1.9674860955	-2.655746803	 1.1778607024	 0.120512
+H	-0.2419483095	-2.5134481243	 1.5519285745	 0.133784
+H	-1.3920374276	-1.3637276372	 2.2408959707	 0.119101
+H	 0.2162546104	-2.5110855793	-0.9893235276	 0.143101
+H	-1.519463625	-2.5614367735	-1.3440690228	 0.120001
+H	-0.49517763	-1.2697065884	-2.0171017926	 0.114644
+H	-0.6430210163	 2.0761987079	-0.6548895951	 0.111488
+H	-1.8137164116	 0.841353827	 1.9496870476	 0.124355
+H	-2.7211240714	 1.8763888962	 0.753909161	 0.134029
+H	-2.7189065539	-0.4311907813	-1.8446001092	 0.293432
+19
+0 1906	2.1409828	1.6942681	1.3691518	2.4243	76.2	-0.22581	-0.01091	0.2149	1055.3728	0.154384	-422.560198	-422.550747	-422.549803	-422.593716	35.375
+C	-3.3106353324	 0.2425657609	 0.9072226148	-0.506259
+C	-2.1034548631	 0.0833224135	 0.0280334921	 0.352627
+C	-1.8999425299	 0.8405259489	-1.2336795408	-0.327383
+C	-0.8754955389	 1.0454935951	-0.1181295958	-0.248222
+C	 0.0286263406	-0.1366325285	-0.0944091177	 0.397074
+O	 1.2162789678	-0.2979656185	-0.0083611481	-0.34436
+C	-1.1651168648	-1.1430351748	 0.0123695946	 0.186231
+C	-1.0961779552	-1.9350423226	 1.3143139423	-0.454179
+O	-1.3992326153	-1.99045643	-1.0996583724	-0.474932
+H	-3.0930095989	 0.0017996461	 1.9524032167	 0.12543
+H	-3.6856732263	 1.2700731294	 0.8691705277	 0.123543
+H	-4.1210343867	-0.415950015	 0.5742015985	 0.136137
+H	-1.6171954711	 0.3261340344	-2.1448821699	 0.138057
+H	-2.5535844795	 1.6951269285	-1.3798235149	 0.120264
+H	-0.6934521674	 2.0228393533	 0.3123521051	 0.108885
+H	-0.2365496112	-2.6126908158	 1.2876559371	 0.127247
+H	-0.9707364201	-1.2814269974	 2.182795314	 0.125261
+H	-2.0068797967	-2.5270863395	 1.4442389704	 0.126729
+H	-0.6443290309	-2.5851735179	-1.1757521237	 0.287851
+19
+0 1907	2.1621863	1.6792595	1.3551334	3.1842	75.62	-0.23507	-0.02473	0.21034	1063.5981	0.153555	-422.547183	-422.53766	-422.536716	-422.580828	35.194
+C	-3.4567126098	-0.0066888728	-0.6214192411	-0.512571
+C	-2.0883868955	 0.0590409675	-0.0246364877	 0.42066
+O	-1.9025294676	 0.7878304484	 1.1870092191	-0.282054
+C	-1.1182764741	 1.1888011926	 0.0361288265	-0.218989
+C	 0.0306259856	 0.1932811752	-0.0018465922	 0.426504
+O	 1.2170857497	 0.2781845673	-0.123843825	-0.316641
+C	-0.9631602903	-1.0187347759	-0.0452388127	 0.087646
+C	-0.8145515382	-1.7315250686	-1.3932721667	-0.444641
+C	-0.9288700447	-1.9861217315	 1.1335539323	-0.452832
+H	-3.946519882	 0.9682604621	-0.5578698414	 0.140834
+H	-3.4111672097	-0.3118934972	-1.6707722774	 0.134697
+H	-4.0763732837	-0.7338952695	-0.0851682436	 0.138242
+H	-1.1908524393	 2.2225982087	-0.2825173968	 0.118501
+H	-1.6033313468	-2.4801967443	-1.5241234612	 0.119601
+H	-0.8650445165	-1.03253481	-2.2351535649	 0.118371
+H	 0.1519670664	-2.2411142192	-1.4428783249	 0.139869
+H	-1.6819140381	-2.7741486939	 1.018109617	 0.113323
+H	 0.051530621	-2.469261775	 1.1964455773	 0.130944
+H	-1.1136038763	-1.4606068738	 2.0728642536	 0.13854
+19
+0 1908	2.6279998	1.5363027	1.1787906	2.1929	76.36	-0.23618	-0.0146	0.22158	1096.784	0.156926	-422.571103	-422.562777	-422.561833	-422.603827	32.024
+C	-2.7803110336	-2.2372158113	 1.3903900957	-0.446815
+C	-2.2697500246	-1.206990851	 0.4133158129	 0.404756
+C	-1.9737192045	-1.5515594375	-1.0085752727	-0.331684
+C	-0.817290116	-1.2413959089	-0.0466892235	-0.185177
+C	-0.0421249419	 0.0289867581	-0.1451211192	 0.390957
+O	 1.1653615779	 0.0363613493	-0.2434633383	-0.327935
+C	-0.8641004893	 1.3030445738	-0.0099703869	-0.318201
+C	-1.9718770482	 1.0817973631	 1.0281894676	-0.09683
+O	-2.8566456203	 0.0592397864	 0.6002507817	-0.296113
+H	-2.5239968691	-1.9594226211	 2.417952651	 0.125037
+H	-3.8699216536	-2.3133873471	 1.3201866555	 0.132308
+H	-2.3511063101	-3.2216402106	 1.1835344216	 0.119362
+H	-2.0549731847	-2.5807265497	-1.3399516868	 0.123824
+H	-2.2260451253	-0.8063984821	-1.7538326257	 0.128041
+H	-0.2102668377	-2.0911132989	 0.2466833603	 0.108464
+H	-0.1922348772	 2.1201518871	 0.2652615887	 0.124233
+H	-1.3314082313	 1.55318545	-0.970416273	 0.127786
+H	-1.5316788342	 0.836952768	 2.0072672228	 0.101584
+H	-2.5851606063	 1.9784839824	 1.1502697585	 0.116403
+19
+0 1909	2.5599314	1.5425995	1.1801747	3.0237	76.32	-0.23146	-0.01524	0.21622	1099.5973	0.157351	-422.571171	-422.562917	-422.561973	-422.603728	31.793
+C	-3.2317401697	-2.2742723709	-0.1273689977	-0.471574
+C	-2.2416852193	-1.2434706566	-0.6209857279	 0.298614
+C	-1.154510899	-1.622565585	-1.5702464176	-0.327883
+C	-0.8018740592	-1.3000533819	-0.113801667	-0.164687
+C	-0.131839357	-0.026437207	 0.248915868	 0.360732
+O	 0.8250131757	 0.0287940853	 0.9900879544	-0.326071
+C	-0.7684753805	 1.2631087522	-0.2785471562	-0.185993
+O	-1.8053434329	 1.0769666281	-1.222055799	-0.243685
+C	-2.7946556456	 0.1654549013	-0.7793686355	-0.147905
+H	-3.6516801255	-1.9886613074	 0.8437729442	 0.124855
+H	-4.0639255599	-2.3881958706	-0.8319462136	 0.124195
+H	-2.7571096116	-3.2530151522	-0.0115350805	 0.124762
+H	-1.0505242643	-2.6645352758	-1.8518199074	 0.121119
+H	-0.8655194197	-0.9069206144	-2.3298595321	 0.139079
+H	-0.5005179487	-2.1383450753	 0.5054739474	 0.10351
+H	-1.1286814227	 1.8205016389	 0.603309347	 0.121906
+H	 0.0008048535	 1.8729790496	-0.7595017307	 0.14145
+H	-3.2390530118	 0.5057037994	 0.1723144827	 0.092464
+H	-3.5816965618	 0.1822929124	-1.5411466086	 0.115112
+19
+0 1910	2.6371875	1.518155	1.1739629	4.8545	75.87	-0.25324	0.01385	0.26709	1102.8305	0.158235	-422.595044	-422.586931	-422.585987	-422.627418	31.394
+C	-2.0109181655	-2.5283673697	-1.8704423138	-0.467033
+C	-1.8172306271	-1.260940984	-1.0661479274	 0.326455
+C	-2.1733586301	-1.2600168868	 0.3904812628	-0.340814
+C	-0.7070245373	-1.2235315649	-0.029613354	-0.192346
+C	 0.1338999221	-0.0024867944	 0.1280723931	 0.42522
+O	 1.216139125	-0.0199105416	 0.6518897059	-0.340938
+O	-0.3272169468	 1.1707576965	-0.3838004169	-0.234602
+C	-1.6172053454	 1.2587434909	-1.0031462943	-0.090148
+C	-1.9727160141	 0.0346829227	-1.8409565438	-0.284316
+H	-1.8323498973	-3.4180530448	-1.259073086	 0.121475
+H	-3.0327265775	-2.5910104211	-2.2623501932	 0.121593
+H	-1.3230322138	-2.562737766	-2.7227083085	 0.124973
+H	-2.6083425442	-0.3802127142	 0.8486675111	 0.125888
+H	-2.5086376346	-2.192550191	 0.8306762155	 0.123316
+H	-0.1325361516	-2.1238943899	 0.152053883	 0.113968
+H	-2.3722438667	 1.4415466538	-0.2292449887	 0.115572
+H	-1.5721375926	 2.1533733661	-1.6287894887	 0.125854
+H	-3.0013911233	 0.1513587449	-2.2048326705	 0.109761
+H	-1.3221575894	 0.0005318334	-2.7239604253	 0.116122
+19
+0 1911	2.5991831	1.5269874	1.1522674	3.2866	75.71	-0.24153	-0.02476	0.21677	1114.3772	0.15724	-422.581068	-422.572757	-422.571813	-422.613741	31.823
+C	-2.8104958249	-2.5107229276	-0.9876407453	-0.466644
+C	-2.2033334702	-1.2633941141	-0.3874817435	 0.389347
+C	-2.9897979886	 0.0334134068	-0.5696044318	-0.263542
+C	-2.1230920279	 1.2980247762	-0.6987993394	-0.221728
+C	-0.9022384553	 1.2851233081	 0.2439236362	-0.312819
+C	-0.0230184035	 0.1060009112	-0.1235072342	 0.400998
+O	 1.1428334255	 0.1941028548	-0.4358941598	-0.318081
+C	-0.7342146563	-1.2168826713	-0.1454575771	-0.122449
+O	-1.6671303192	-1.4323672894	 0.92667455	-0.277796
+H	-3.8322017601	-2.6507085504	-0.6172615456	 0.130752
+H	-2.856414451	-2.4343217797	-2.0788189164	 0.127152
+H	-2.2250314557	-3.3932088208	-0.7194354124	 0.133931
+H	-3.6354514144	-0.0572008263	-1.4493908835	 0.106142
+H	-3.6561739755	 0.1189252388	 0.2976911718	 0.120343
+H	-1.7621475518	 1.3872327184	-1.7309195829	 0.113739
+H	-2.7332292161	 2.1861507062	-0.5070993165	 0.108861
+H	-0.3123066289	 2.1994731093	 0.1538713771	 0.119393
+H	-1.2337698059	 1.1757077891	 1.2828261033	 0.132068
+H	-0.1114818404	-2.0703361492	-0.40875412	 0.100335
+19
+0 1912	2.5066528	1.5105143	1.1302135	2.9097	75.8	-0.23322	-0.01167	0.22155000000000002	1114.6418	0.157602	-422.583746	-422.575507	-422.574563	-422.616425	32.246
+O	-2.9758596272	-2.3730215163	-0.3144354595	-0.466155
+C	-2.1615271841	-1.2959313967	-0.6785403058	 0.418009
+C	-1.043162166	-1.6522220047	-1.5857056616	-0.330183
+C	-0.7386148772	-1.2729262757	-0.1258141643	-0.202656
+C	-0.0761481819	 0.0159952386	 0.2203999003	 0.388861
+O	 0.9461482888	 0.0435988476	 0.8715948806	-0.332582
+C	-0.7793791431	 1.3170154399	-0.1785784362	-0.29484
+C	-1.9311548556	 1.1869910984	-1.1844811711	-0.247001
+C	-2.8794450954	 0.0322515543	-0.8315422716	-0.268334
+H	-3.3308676339	-2.1946721032	 0.5640144404	 0.28218
+H	-0.9190747056	-2.7039996724	-1.8134495499	 0.136497
+H	-0.7488952083	-0.9774853598	-2.3800425653	 0.125201
+H	-0.4307234084	-2.1049012929	 0.4978210463	 0.109218
+H	-1.1622686343	 1.7262650803	 0.7673265989	 0.131046
+H	-0.016942663	 2.0239341479	-0.5185682057	 0.128654
+H	-2.4959693579	 2.1240840336	-1.21698224	 0.106984
+H	-1.5349556405	 1.0427971869	-2.1958209845	 0.111861
+H	-3.3902443114	 0.2585065057	 0.1163998642	 0.090711
+H	-3.6615868349	-0.0711433217	-1.5920071252	 0.112529
+19
+0 1913	2.4071795	1.5077759	1.2742973	2.8595	76.17	-0.22875	-0.01135	0.2174	1094.4228	0.154201	-422.552929	-422.543388	-422.542444	-422.586579	35.493
+C	-0.9767176161	 2.0530545586	 1.2640722075	-0.447847
+C	-1.1374729641	 1.0874388632	 0.0926612797	 0.184012
+C	-1.1304323486	 1.8374580839	-1.247000165	-0.434822
+C	-2.2577647767	 0.0216388743	 0.1536896507	-0.141132
+C	-2.0642934764	-0.8966760759	 1.3165098775	-0.369761
+C	-1.2320282298	-1.1325680901	 0.0611580919	 0.288385
+O	-1.3164254291	-2.295716044	-0.6694882777	-0.450974
+C	-0.1325853257	-0.1068924667	-0.0156597582	 0.313
+O	 1.0367147348	-0.1581896519	-0.2765025197	-0.335205
+H	-1.021359422	 1.5498402645	 2.2338468289	 0.115002
+H	-0.0095738455	 2.5619912654	 1.1991002206	 0.132814
+H	-1.7604239658	 2.8187661742	 1.248527353	 0.117306
+H	-1.2497906619	 1.1522366623	-2.0922434683	 0.126202
+H	-1.947341826	 2.5665856977	-1.2809006033	 0.115219
+H	-0.1854816786	 2.3722360613	-1.3782017213	 0.133968
+H	-3.1943575357	 0.0857390076	-0.3856775899	 0.108123
+H	-1.6155960439	-0.5585864291	 2.245424452	 0.121457
+H	-2.8326214687	-1.6544449256	 1.4388844534	 0.126867
+H	-0.9175583101	-3.0101728996	-0.1606364119	 0.297385
+19
+0 1914	2.4625499	1.525717	1.2558905	2.3502	76.52	-0.23232	-0.01205	0.22027	1099.8095	0.154285	-422.558189	-422.54861	-422.547666	-422.592054	35.428
+C	-1.122564288	-2.3816625977	 1.0187286509	-0.49779
+C	-1.0942554143	-1.1679376757	 0.1352510893	 0.215824
+C	-1.9133233329	-1.0389179997	-1.1418722814	-0.346221
+C	-2.1198591207	-0.0026399869	-0.097458323	-0.120264
+C	-1.0054630671	 1.0529344116	-0.1538472645	 0.306348
+C	-0.845066351	 1.9310229027	-1.3837347015	-0.452483
+O	-1.0525700483	 1.8394123366	 1.02987216	-0.480571
+C	-0.0211300151	-0.1319086479	 0.1282028738	 0.294983
+O	 1.1133943047	-0.1129151463	 0.5287847596	-0.340774
+H	-0.4519719779	-3.158710539	 0.6363613573	 0.136077
+H	-0.8004961951	-2.1342827538	 2.0347336023	 0.137117
+H	-2.1295660648	-2.8072603044	 1.0704926615	 0.122349
+H	-1.4407339367	-0.7996531993	-2.0897170109	 0.121988
+H	-2.6930989423	-1.7900540685	-1.223872015	 0.127178
+H	-3.0508403202	 0.1431351091	 0.4345752629	 0.113821
+H	-0.8878909739	 1.3587295321	-2.3144493232	 0.116042
+H	-1.6318177556	 2.6914388323	-1.4021544758	 0.128861
+H	 0.1230396519	 2.442235138	-1.3499018697	 0.125734
+H	-0.140710043	 2.0571694969	 1.2591851975	 0.291782
+19
+0 1915	2.4544041	1.4966311	1.2709672	2.705	76.07	-0.23398	-0.02341	0.21056999999999998	1109.1093	0.153417	-422.547643	-422.537966	-422.537022	-422.581585	35.308
+C	-1.0507718087	-2.3777983816	 0.9769576734	-0.514741
+C	-1.0215811775	-1.0720491099	 0.257294064	 0.277341
+O	-1.7768972903	-0.9282866865	-0.9758830533	-0.28009
+C	-2.0081966135	 0.0240565854	 0.056633174	-0.076976
+C	-0.9332096953	 1.1252545704	-0.0984071506	 0.146904
+C	-0.8630102006	 2.0825963874	 1.0954597046	-0.444332
+C	-0.8916383008	 1.8515288658	-1.4387837726	-0.449025
+C	 0.0974539259	-0.0402439205	 0.111310527	 0.359801
+O	 1.2823813443	-0.065350341	 0.2716744013	-0.313357
+H	-0.4209894102	-3.1121071337	 0.4646934699	 0.147207
+H	-0.6698688174	-2.2618809801	 1.9961381929	 0.137338
+H	-2.0706595093	-2.7686825559	 1.0204265957	 0.138391
+H	-3.0099641285	 0.1027461099	 0.4651643593	 0.110839
+H	-0.9253982874	 1.5504436573	 2.0508985984	 0.117804
+H	 0.0808420487	 2.6350971244	 1.0816402616	 0.140162
+H	-1.6842655444	 2.8062711875	 1.0560905147	 0.120299
+H	-1.0298908147	 1.1499178785	-2.2642971471	 0.138288
+H	-1.6743048452	 2.6166375563	-1.4942929235	 0.113994
+H	 0.074334945	 2.3503270265	-1.5682743298	 0.130153
+19
+0 1916	2.9634667	1.3351819	1.2689803	2.4772	76.4	-0.22864	0.00427	0.23291	1090.5195	0.155381	-422.558683	-422.54988	-422.548936	-422.591236	34.827
+C	 0.0243625565	-0.0229063771	-0.035825752	-0.438313
+C	 1.5536545004	-0.0223296057	 0.0552298834	 0.335993
+O	 2.026358273	 1.3082656396	 0.3105284142	-0.462694
+C	 2.0777094556	-0.9998792556	 1.1084332208	-0.124971
+C	 2.8537318155	-1.9491964308	 0.5880147848	-0.189738
+C	 3.0125003445	-1.7729982877	-0.8909100262	 0.380971
+O	 3.1233795155	-2.8859771237	-1.7204317834	-0.467954
+C	 3.7185907491	-0.5198357141	-1.3187927143	-0.310872
+C	 2.2045358754	-0.5312516965	-1.230619144	-0.139844
+H	-0.4244606509	 0.2668035266	 0.92172992	 0.102208
+H	-0.304238317	 0.69021713	-0.7984220359	 0.125095
+H	-0.3548252952	-1.0165539737	-0.29383959	 0.116609
+H	 1.6484520478	 1.597100335	 1.1485084994	 0.274107
+H	 1.8669199407	-0.8583099298	 2.1642028238	 0.090127
+H	 3.3644499707	-2.736804663	 1.131708348	 0.102406
+H	 2.3131209858	-3.4009744045	-1.6339921625	 0.279547
+H	 4.2806943292	 0.0486940062	-0.5876461908	 0.125696
+H	 4.1268827993	-0.529252468	-2.3239347028	 0.11721
+H	 1.6457030542	-0.4755530773	-2.1573425124	 0.084417
+19
+0 1917	3.0375463	1.3443847	1.2777043	1.7103	76.28	-0.24435	-0.00351	0.24084	1101.4687	0.154517	-422.55833	-422.549234	-422.54829	-422.591329	34.786
+C	 4.4823653694	 2.3694813739	 0.63688919	-0.494831
+C	 3.2740319385	 1.5029406201	 0.8440731211	 0.384197
+O	 2.0294484795	 2.1966437858	 1.158228335	-0.301446
+C	 2.1002171466	 1.4225269989	-0.0369075572	-0.051718
+C	 1.4772915035	 0.02662868	 0.0764752646	 0.31363
+C	 0.0015299747	 0.058235678	 0.4800839747	-0.441319
+O	 1.647265833	-0.565919218	-1.2145971439	-0.471894
+C	 2.3657170612	-0.6284582141	 1.1287001439	-0.132013
+C	 3.3529744764	 0.1718069169	 1.5320450819	-0.140421
+H	 4.904327074	 2.6845442525	 1.5977042161	 0.1274
+H	 5.2591142674	 1.8243760223	 0.0905351729	 0.129604
+H	 4.2181209984	 3.2659375836	 0.0712835114	 0.133705
+H	 2.005101178	 1.9574437786	-0.9788126139	 0.097523
+H	-0.1285363873	 0.630714101	 1.4013960508	 0.143756
+H	-0.5939121191	 0.5177425102	-0.3143343831	 0.124128
+H	-0.3769496307	-0.9571147768	 0.6491611121	 0.102474
+H	 1.2791743865	-1.4552767402	-1.1842730937	 0.278333
+H	 2.1559846909	-1.6217266272	 1.5138231822	 0.09572
+H	 4.1077406989	-0.0660535955	 2.272949655	 0.103173
+19
+0 1918	3.1193771	1.2039618	1.0402935	3.6109	76.12	-0.24428	-0.01871	0.22557	1192.9513	0.154539	-422.540617	-422.53144	-422.530496	-422.57422	34.461
+C	-0.1564527868	-0.0995358255	-0.0339363321	-0.456717
+C	 1.3578611391	-0.0066903111	 0.0724418458	 0.222839
+C	 2.2057756984	 0.070459317	-1.265188812	-0.366503
+C	 2.8175264795	 1.3889977572	-0.7848379552	 0.417289
+O	 4.157294342	 1.7061580697	-0.9058011539	-0.46345
+C	 1.7513847543	 2.4135934755	-0.5440756207	-0.359717
+C	 1.9980038574	 1.3387125947	 0.4955982822	-0.147911
+C	 1.9283343454	-1.1122892858	 0.9349360654	 0.129973
+O	 1.2826770746	-1.9689810209	 1.4821580423	-0.263602
+H	-0.6173803372	-0.0363414611	 0.9558779446	 0.130387
+H	-0.5628805368	 0.7028459487	-0.6554214132	 0.10912
+H	-0.4548849121	-1.0572067219	-0.4700223065	 0.129173
+H	 2.9486383799	-0.7282526977	-1.3384604084	 0.11807
+H	 1.6209453279	 0.1004020516	-2.1898063547	 0.101682
+H	 4.2783913977	 2.2213318801	-1.7110639392	 0.288263
+H	 2.1323747353	 3.3870778386	-0.2513376309	 0.119607
+H	 0.8367195757	 2.4424961958	-1.1308311	 0.109377
+H	 2.280331465	 1.5995902908	 1.5086449293	 0.10069
+H	 3.0384781705	-1.0775431358	 1.0342563273	 0.08143
+19
+0 1919	2.528786	1.4544687	1.1116823	0.7498	76.17	-0.25205	-0.03092	0.22113	1151.4909	0.15384	-422.538503	-422.529243	-422.528299	-422.572316	34.217
+C	 4.2411194889	 0.6335293024	-1.9752555399	-0.502518
+C	 2.8802946944	 0.3635859886	-1.4248870481	 0.435331
+C	 2.0310917347	 1.2451982653	-0.4950220467	-0.356293
+C	 1.3348777684	-0.0469764887	 0.0576112403	 0.206154
+C	-0.1684749951	-0.2053822984	-0.1496010895	-0.474378
+C	 1.7360785768	-0.372025421	 1.4808625603	 0.107748
+O	 2.5670226632	 0.2117701689	 2.1295651715	-0.25018
+C	 2.23400735	-0.8613483641	-0.9310442553	-0.08892
+O	 1.9480480743	-0.3802810798	-2.2423118588	-0.288211
+H	 4.9296495262	 0.9167949351	-1.1731428228	 0.135427
+H	 4.6327770996	-0.2528028297	-2.481250848	 0.134735
+H	 4.2103382362	 1.4552582292	-2.6994871971	 0.132825
+H	 2.6141443628	 1.739191828	 0.2844163937	 0.135132
+H	 1.3786175487	 1.9599835601	-1.0015491287	 0.105398
+H	-0.725433032	 0.5748028878	 0.3799491252	 0.124972
+H	-0.3990477784	-0.1322824631	-1.2147780579	 0.14579
+H	-0.5220042481	-1.177217893	 0.2140930508	 0.117365
+H	 1.2026125347	-1.2547009184	 1.9051398821	 0.076942
+H	 2.5881405448	-1.882800779	-0.834986981	 0.102681
+19
+0 1920	2.9769745	1.300603	1.1067515	2.8765	76.42	-0.23782	-0.03032	0.20750000000000002	1165.8126	0.153578	-422.534978	-422.525639	-422.524694	-422.569018	34.445
+C	 4.0794550305	-0.067874685	-2.1388248361	-0.491514
+C	 2.6886493831	 0.1748225038	-1.6531641248	 0.473672
+C	 1.751184062	 1.2551790698	-2.0837392102	-0.351164
+C	 2.0550442093	 1.072939476	-0.6065148906	-0.220602
+C	 1.3655934751	-0.2038097023	-0.0986706458	 0.299038
+C	-0.1413708482	-0.2839147588	 0.0142233251	-0.457103
+O	 1.9278296737	-0.965794452	-1.2146878533	-0.366094
+C	 2.0716148132	-0.6704798429	 1.1722110692	 0.143468
+O	 1.590683687	-0.6357025922	 2.2738878416	-0.253847
+H	 4.6729532148	-0.6046794836	-1.3924691524	 0.129566
+H	 4.0624444342	-0.6684540092	-3.055243399	 0.137258
+H	 4.5756820686	 0.8798113299	-2.3659322194	 0.127335
+H	 2.2194613119	 2.1340907981	-2.5166625784	 0.118673
+H	 0.7778419553	 1.0042780342	-2.4942314762	 0.118823
+H	 2.4686864002	 1.855513171	 0.0156216161	 0.108988
+H	-0.4634032506	 0.2017830692	 0.9387309991	 0.143283
+H	-0.6300583283	 0.1938115072	-0.837083472	 0.119695
+H	-0.4583876154	-1.3304308288	 0.0554988656	 0.134289
+H	 3.1019285037	-1.0458422543	 0.9847182614	 0.086237
+19
+0 1921	3.6553865	1.1389661	1.0252902	2.5895	76.92	-0.2472	-0.03712	0.21008	1215.4525	0.154925	-422.545131	-422.536204	-422.53526	-422.578429	33.957
+C	 1.1219538959	 2.6342176306	-3.7042229215	-0.500777
+C	 1.1724323937	 1.862870366	-2.4181834073	 0.37373
+C	-0.0166075649	 1.6440076465	-1.5307726915	-0.34639
+C	 1.1938626111	 2.3512800537	-0.966458432	-0.151139
+C	 2.3240240539	 1.3635142667	-0.6077725903	 0.341682
+O	 3.5396868587	 2.0111234598	-0.3614296092	-0.486455
+C	 2.2366919038	 0.8024593316	-2.0795655559	-0.357105
+C	 2.038879975	 0.3903193833	 0.5114116012	 0.108771
+O	 2.8149692016	 0.221094901	 1.4238565914	-0.279503
+H	 0.8178132213	 1.9918795409	-4.5397516643	 0.121557
+H	 0.4016946651	 3.4566113437	-3.642105115	 0.119927
+H	 2.1001950422	 3.061266833	-3.9507736924	 0.125805
+H	-0.8633127686	 2.2978927723	-1.7174255192	 0.117379
+H	-0.3040858146	 0.6468596169	-1.2065444225	 0.104967
+H	 1.1519258696	 3.3581720482	-0.5681275961	 0.098325
+H	 3.8796582157	 1.618316995	 0.4590832485	 0.290857
+H	 3.2020690176	 0.9834615425	-2.5548920049	 0.129391
+H	 1.9470765647	-0.2447392538	-2.2232846318	 0.093085
+H	 1.0823668982	-0.1641142379	 0.4612940026	 0.095892
+19
+0 1922	5.0077541	0.9423771	0.8768689	2.7714	76.27	-0.24889	0.08078	0.32967	1359.3479	0.1555	-422.498379	-422.489762	-422.488818	-422.531936	32.018
+C	 0.1094719657	 0.5827711092	-0.2380372088	-0.5014
+C	 1.0271657458	-0.110569955	 0.7139500967	 0.427129
+C	 0.7936810026	-0.4488781453	 2.1986397443	-0.325648
+C	 2.3524124411	-0.3821662102	 2.4170227803	-0.033853
+C	 3.0511705098	-1.6185077447	 2.9053647183	 0.086078
+C	 3.4045295547	-1.8106822264	 4.3172293444	-0.184892
+O	 4.4003142447	-1.4490627599	 3.3603129406	-0.241375
+C	 2.486973602	-0.0656756102	 0.9142498254	-0.061393
+O	 1.8764657204	-1.153275206	 0.2035914844	-0.286546
+H	-0.257026453	 1.5216013568	 0.1895500663	 0.12455
+H	 0.6265159727	 0.8010565975	-1.1761097175	 0.136436
+H	-0.759926629	-0.0444662843	-0.4659840909	 0.131817
+H	 0.264517756	 0.330163463	 2.7524843726	 0.107246
+H	 0.3128789838	-1.4142560655	 2.3779234387	 0.107571
+H	 2.6349408113	 0.4724613202	 3.0380314239	 0.082816
+H	 2.896258558	-2.5031555321	 2.2881042557	 0.107062
+H	 3.1532105829	-1.0386030617	 5.0443733621	 0.107985
+H	 3.4867037332	-2.817978993	 4.7236425771	 0.113933
+H	 3.2668997775	 0.4852518477	 0.4003302466	 0.102482
+19
+0 1923	3.9772615	1.020451	0.9485707	1.2694	76.39	-0.23595	0.07065	0.3066	1303.0449	0.155503	-422.492558	-422.483976	-422.483031	-422.52615	32.021
+C	 0.093839924	 0.0898491323	-0.3632317332	-0.487725
+C	 1.52272085	-0.087013216	 0.0312329212	 0.472262
+C	 2.1018162287	 0.0004279794	 1.4090433191	-0.344171
+C	 2.6905288537	 0.8435421724	 0.2921418236	-0.190046
+C	 3.4717708692	-0.0720279694	-0.6441137608	 0.09076
+O	 2.3291042549	-0.9686603658	-0.7733887809	-0.336368
+C	 3.8231116476	 0.5193545393	-1.9816575511	 0.081391
+C	 4.9232811476	-0.0174994031	-2.788739366	-0.180431
+O	 5.0830679814	 1.1930976149	-2.0457063205	-0.238478
+H	-0.3882014702	 0.8391416645	 0.2710726129	 0.125344
+H	 0.0080625728	 0.4060906783	-1.4074934522	 0.126441
+H	-0.4536083632	-0.8525957005	-0.247967543	 0.13412
+H	 1.5148051649	 0.5590342072	 2.1318650702	 0.114016
+H	 2.6584033839	-0.8392279559	 1.8173843764	 0.113346
+H	 2.757162544	 1.9228928631	 0.3243376891	 0.106117
+H	 4.3476311284	-0.5773098842	-0.2176488198	 0.082452
+H	 3.0046290107	 1.0302467049	-2.4902448508	 0.094753
+H	 5.4921835792	-0.8705015015	-2.4213818852	 0.117872
+H	 4.9013140323	 0.0974953501	-3.8711616389	 0.118344
+19
+0 1924	4.146754	0.9455651	0.8967082	2.555	76.26	-0.25399	0.07733	0.33132	1341.4026	0.156059	-422.500132	-422.491617	-422.490672	-422.53359	32.251
+O	-0.7698432381	-0.0098975815	-0.0076684819	-0.462406
+C	-2.1056668345	 0.312706011	 0.1503848219	 0.410013
+C	-3.1902721251	-0.7235084719	 0.2069723263	-0.353853
+C	-3.1962777365	 0.2973651635	-0.9115719713	-0.111627
+C	-3.7510299005	 1.6316453052	-0.385295202	 0.002554
+C	-2.6033757297	 1.6597889445	 0.6868162533	-0.331393
+C	-3.6816072101	 2.7696472357	-1.3646859074	 0.082775
+C	-4.5820473754	 3.9263779856	-1.2868299019	-0.18941
+O	-4.7800147007	 2.9095566068	-2.2708817283	-0.243188
+H	-0.4808415297	-0.4999858969	 0.7698320343	 0.285663
+H	-2.8712942827	-1.7150193916	-0.099118362	 0.114124
+H	-3.9579155863	-0.7084658657	 0.9788093955	 0.102002
+H	-3.1531286823	 0.0013347906	-1.9524338255	 0.100849
+H	-4.7667621076	 1.567675855	 0.019908507	 0.072176
+H	-1.8868894643	 2.4610014148	 0.485414108	 0.110952
+H	-2.9006247094	 1.7033123288	 1.7398457574	 0.091267
+H	-2.7050541006	 2.9177668814	-1.8314497163	 0.095386
+H	-5.3348054882	 3.9672243691	-0.5000768361	 0.110611
+H	-4.2598203584	 4.8938967357	-1.669593641	 0.113506
+19
+0 1925	3.1128578	1.1374008	1.1034912	2.3908	76.04	-0.24026	-0.02437	0.21589	1198.2023	0.156011	-422.558487	-422.549803	-422.548859	-422.592104	32.255
+C	 3.2621206464	 2.8487318833	-3.1909508775	-0.468505
+C	 2.081704773	 2.6826767406	-2.2783377528	 0.463289
+C	 1.4406797063	 3.8384146404	-1.550339154	-0.373966
+C	 2.11340822	 2.7132686244	-0.7741219788	-0.127685
+C	 1.2130660755	 1.5768800858	-0.3004619951	-0.105075
+C	 0.4298071652	 1.2249878961	-1.599339705	-0.133833
+O	 1.2272366031	 1.6401045162	-2.6991869436	-0.289497
+C	 2.0517581752	 0.4011862797	 0.1556670626	 0.156112
+O	 2.0056908186	-0.0926151276	 1.2524484991	-0.253086
+H	 3.9281670916	 3.6316044259	-2.8187488218	 0.120716
+H	 3.8272797299	 1.9143549426	-3.2651197697	 0.127027
+H	 2.9350058506	 3.1291907892	-4.1972460019	 0.132571
+H	 1.9609107142	 4.7900513692	-1.5720628885	 0.118753
+H	 0.3596309646	 3.9243452893	-1.5275637164	 0.119352
+H	 3.0228625996	 2.9239295885	-0.2223861328	 0.100658
+H	 0.5396343852	 1.8531053708	 0.515344596	 0.098648
+H	 0.2330813891	 0.1537195542	-1.7118409096	 0.120933
+H	-0.5379299712	 1.7435155473	-1.5970125944	 0.110848
+H	 2.7378234932	 0.0035029041	-0.6287544258	 0.082738
+19
+0 1926	2.6662311	1.3187512	1.188635	2.0722	75.05	-0.24112	-0.0301	0.21102	1138.8839	0.155989	-422.561224	-422.552568	-422.551624	-422.594764	32.095
+C	 2.6499166402	 0.0416992037	-4.140834987	-0.48779
+C	 1.5563299078	 0.5053421401	-3.211248444	 0.331657
+C	 1.043833493	 1.9247665723	-3.2417840551	-0.352028
+C	 1.7904988127	 1.4240928967	-2.0306296972	-0.089006
+C	 0.9220106077	 0.8895128065	-0.9106188751	-0.000138
+O	-0.0322384424	 0.0259540641	-1.5222556863	-0.2708
+C	 0.5480578108	-0.5186892595	-2.711752129	-0.145934
+C	 1.7256121736	 0.1468950568	 0.1566932065	 0.132944
+O	 2.8130560036	 0.4829783466	 0.5471752855	-0.242628
+H	 3.208181002	-0.7978713003	-3.710928596	 0.122377
+H	 2.2418984324	-0.287102195	-5.1037953659	 0.122092
+H	 3.3616097418	 0.8473160508	-4.3434611903	 0.123507
+H	 1.5637239918	 2.6236086575	-3.8883660905	 0.113395
+H	-0.0243664431	 2.0980007091	-3.1505797883	 0.12102
+H	 2.7719637123	 1.8023219183	-1.7748384169	 0.111607
+H	 0.3493148164	 1.6709391899	-0.3880664585	 0.113832
+H	 1.0596217139	-1.4722352427	-2.5011206165	 0.093657
+H	-0.2751858566	-0.718108174	-3.4061408275	 0.112087
+H	 1.195791832	-0.7444815408	 0.5639692521	 0.090149
+19
+0 1927	3.8082833	1.0802339	0.9507612	3.3864	76.27	-0.24446	-0.02217	0.22229000000000002	1266.7539	0.156041	-422.572954	-422.564221	-422.563276	-422.60663	32.245
+C	 1.6804607586	 1.8167078528	-4.3494456451	-0.485086
+C	 1.3588235555	 1.3187308948	-2.9680256297	 0.419575
+C	-0.0777126072	 1.2535968057	-2.4744086016	-0.279732
+C	 0.0410330044	 0.9274984793	-0.9683204606	-0.2507
+C	 1.415128064	 1.5048768966	-0.5182126363	-0.089731
+C	 2.0335963778	 0.6925407712	 0.5979038759	 0.151914
+O	 2.3148207146	 1.1188064911	 1.6886342496	-0.252087
+C	 2.2407473272	 1.461486095	-1.7991885654	-0.04569
+O	 2.1465743367	 0.2077064849	-2.4928978458	-0.297052
+H	 1.230228407	 1.1671289381	-5.1079429299	 0.131122
+H	 1.288018366	 2.8280064799	-4.49936015	 0.124525
+H	 2.7606284903	 1.8307856683	-4.5132218862	 0.133261
+H	-0.550706515	 2.2301780694	-2.633925727	 0.107181
+H	-0.6714818847	 0.5097915336	-3.0152330159	 0.112024
+H	-0.7805758981	 1.3360995899	-0.3769123983	 0.114767
+H	 0.0406915832	-0.1566341577	-0.8260865592	 0.12252
+H	 1.3287853565	 2.541506384	-0.1753497871	 0.092674
+H	 2.2150438023	-0.3725466647	 0.3272724473	 0.089477
+H	 3.210906981	 1.9508364177	-1.8441202448	 0.101038
+19
+0 1928	3.0620225	1.1185125	1.0643244	2.0188	75.44	-0.24642	-0.02234	0.22408	1206.0692	0.15658	-422.569136	-422.560556	-422.559612	-422.602629	32.487
+O	 3.4712297142	 0.400711324	-3.9331137325	-0.471427
+C	 2.6264341239	 1.0741593009	-3.0546085924	 0.436977
+C	 1.1923937517	 1.160461138	-3.4656551178	-0.340373
+C	 1.5679151861	 0.3709915701	-2.2205191987	-0.124406
+C	 1.4378675321	 1.0826127773	-0.8773838028	-0.079729
+C	 2.1614416262	 2.4500973725	-1.1024023076	-0.265252
+C	 3.1944541473	 2.2175756465	-2.2257833389	-0.278076
+C	 2.1390154156	 0.2821476392	 0.1996906842	 0.163402
+O	 1.6210135298	-0.1328144565	 1.2036806835	-0.251341
+H	 4.1854910448	 0.0052303606	-3.4201484344	 0.279155
+H	 0.6491361307	 2.0956567638	-3.3759079406	 0.113681
+H	 0.9236952215	 0.5639112581	-4.3299053393	 0.127932
+H	 1.4535310047	-0.7066727073	-2.2641050977	 0.097179
+H	 0.4008048893	 1.2216903671	-0.5570808521	 0.091641
+H	 1.4211644876	 3.1932961754	-1.4098323327	 0.120473
+H	 2.6192983708	 2.8303923081	-0.1847302297	 0.114235
+H	 3.3835816648	 3.1207719437	-2.8146922011	 0.110641
+H	 4.1595029646	 1.898682466	-1.8089392257	 0.093678
+H	 3.2215537744	 0.0924118424	-0.0038099537	 0.061613
+19
+0 1929	5.2061352	0.8190111	0.7732312	3.4763	76.99	-0.24609	-0.02003	0.22606	1488.1647	0.154422	-422.533497	-422.524285	-422.523341	-422.568298	33.101
+C	-4.2409500385	 3.6097124624	 0.5288062232	-0.500149
+C	-3.0723241574	 2.6954561374	 0.6959721731	 0.425737
+C	-1.8503378291	 2.8582040171	 1.6178983488	-0.321995
+C	-1.0141760202	 2.0018367781	 0.5960592586	-0.022275
+C	-0.3885801025	 0.7021929908	 1.1145651701	-0.290332
+C	 0.275058931	-0.0915231065	 0.0142208507	 0.156309
+O	 1.4288017949	-0.4378824565	 0.0098815019	-0.240402
+C	-2.2943477299	 1.8817263799	-0.2560743649	-0.057442
+O	-3.2945789205	 1.2785071967	 0.5765194789	-0.284842
+H	-4.8642395468	 3.6107935159	 1.4302013663	 0.133959
+H	-3.9078029053	 4.6370816572	 0.3501356006	 0.126417
+H	-4.8601572355	 3.2884704537	-0.3127948126	 0.13658
+H	-1.4906508668	 3.8871937846	 1.6919487761	 0.109661
+H	-1.9709358106	 2.4394356484	 2.6204023312	 0.109853
+H	-0.2639761005	 2.622559115	 0.0966212086	 0.089537
+H	 0.3508992309	 0.9018785094	 1.8955026263	 0.118498
+H	-1.1949202142	 0.0904488976	 1.5409639757	 0.135208
+H	-0.3971482023	-0.3463308323	-0.8391721313	 0.073312
+H	-2.3979634066	 1.7482159112	-1.3276384312	 0.102365
+19
+0 1930	3.9983824	0.9619711	0.9256965	2.3121	76.94	-0.25691	0.00985	0.26676000000000005	1334.1085	0.156091	-422.557375	-422.548613	-422.547669	-422.591412	32.279
+C	-4.4020265482	 2.09072579	 1.4217421459	-0.499159
+C	-3.0910106717	 2.3260494936	 0.7305170698	 0.364475
+C	-2.9388981017	 3.1873201753	-0.491940145	-0.330847
+C	-2.525078772	 1.7394510244	-0.5705885112	-0.135298
+C	-1.1506033098	 1.5895393375	 0.0644156573	 0.161586
+C	-1.7087351678	 2.1756756492	 1.394676423	-0.310569
+O	-0.810519275	 0.19278448	 0.1637839384	-0.224415
+C	 0.410124858	-0.0789745898	 0.6433659333	 0.176296
+O	 1.221675569	 0.7244516445	 1.0143251539	-0.305174
+H	-4.6171586416	 2.8873035185	 2.1444525055	 0.122314
+H	-5.2285000343	 2.0663437171	 0.7037236867	 0.11897
+H	-4.401780756	 1.1396925504	 1.9662462337	 0.119776
+H	-3.8615101098	 3.4243794144	-1.0128670243	 0.113348
+H	-2.1921161402	 3.9782221339	-0.5330316717	 0.107535
+H	-2.9597011689	 1.0414368032	-1.2758095866	 0.094499
+H	-0.314412313	 2.1170822429	-0.4009186425	 0.100568
+H	-1.6979974966	 1.412067041	 2.1756640367	 0.114063
+H	-1.2357698665	 3.0857286854	 1.7758396503	 0.103481
+H	 0.5552606462	-1.1708442415	 0.6418199169	 0.108551
+19
+0 1931	4.1155319	0.8908263	0.8217274	3.7664	77.06	-0.23949	-0.02163	0.21786	1428.5744	0.154386	-422.528955	-422.519778	-422.518834	-422.563635	33.184
+C	 0.5707738823	 4.6686297886	 1.8671767977	-0.486408
+C	-0.5325040303	 3.8631251415	 1.2649021541	 0.471927
+C	-1.977747627	 4.242228144	 1.1582100314	-0.345162
+C	-1.5938795368	 2.9216504264	 1.8001421373	-0.187943
+C	-1.1250867948	 1.9688580062	 0.7071308174	 0.11018
+C	-0.3861512602	 0.7251598424	 1.1940073644	-0.293536
+C	 0.3600935661	 0.0289299545	 0.0743699405	 0.152
+O	 0.2845822586	-1.1498041319	-0.1632030517	-0.240885
+O	-0.1910059254	 2.9650534604	 0.1929080838	-0.336114
+H	 0.2000396202	 5.2508832101	 2.7155061856	 0.126676
+H	 1.3877656934	 4.0270632687	 2.2115602282	 0.126881
+H	 0.9772908672	 5.3692411251	 1.1289759663	 0.136586
+H	-2.3179740543	 5.0005197945	 1.8568669991	 0.116514
+H	-2.4618330474	 4.2611775709	 0.1852647413	 0.11623
+H	-1.8595167033	 2.6437929777	 2.8117967123	 0.101449
+H	-1.870633451	 1.7032649902	-0.0538271936	 0.090517
+H	 0.3486781014	 1.0349709552	 1.9498163947	 0.122401
+H	-1.0803404141	 0.0141844525	 1.6534350936	 0.119839
+H	 1.0059763454	 0.7011192931	-0.5300727325	 0.098847
+19
+0 1932	4.33703	0.8717474	0.802012	2.7881	76.28	-0.24654	-0.02004	0.2265	1442.1216	0.154978	-422.534057	-422.524939	-422.523995	-422.568729	33.385
+O	-4.1149933326	 3.3776205487	-0.084841478	-0.462878
+C	-3.1660710652	 2.4707782698	-0.5203912838	 0.411478
+C	-3.397755185	 0.9896099771	-0.5380885091	-0.340778
+C	-2.3011124167	 1.5617061256	 0.3398768512	-0.117407
+C	-1.0620303256	 1.9289182704	-0.4936719138	 0.010701
+C	-0.2589783161	 0.8082648154	-1.1646328864	-0.295051
+C	 0.5444606807	 0.0157244697	-0.1589002492	 0.166426
+O	 0.4896509576	-1.1776267842	-0.0106837277	-0.239157
+C	-1.9620938457	 2.8461602444	-1.3958865289	-0.334931
+H	-4.8572764504	 3.3598770925	-0.6988093795	 0.286317
+H	-4.2740655945	 0.671110348	 0.0175286261	 0.117473
+H	-3.1739044267	 0.3833670257	-1.412949975	 0.10727
+H	-2.3163353685	 1.4146646374	 1.4127802452	 0.097149
+H	-0.3813092194	 2.5507147925	 0.0971047587	 0.084001
+H	-0.8978135634	 0.1183968053	-1.7228924225	 0.118712
+H	 0.4532827262	 1.2606949698	-1.8706077431	 0.117718
+H	 1.2220819625	 0.6387355732	 0.4736125955	 0.067692
+H	-1.69602538	 3.9013036828	-1.3055686584	 0.113139
+H	-2.029707017	 2.582347126	-2.4571942312	 0.092125
+19
+0 1933	3.0185597	1.4295757	1.3341719	1.9227	74.5	-0.22552	0.07533	0.30085	1055.4621	0.155797	-422.523659	-422.515402	-422.514458	-422.555721	33.023
+C	-0.0046659256	 0.0745091418	-0.055889841	-0.460175
+C	 1.4755166563	-0.0192682224	 0.1847102281	 0.440693
+C	 2.131131093	-1.2473394241	 0.7646282736	-0.363539
+C	 2.4773518507	-0.7871918887	-0.6419978544	-0.188137
+C	 3.6388639279	 0.1628322161	-0.8835603722	 0.366482
+O	 4.1395672906	 0.2303153627	-2.1828439227	-0.469434
+C	 4.4915807009	 0.6149343101	 0.2844413185	-0.393131
+C	 3.2721109253	 1.4138947533	-0.1444070982	 0.04761
+O	 2.0552380223	 1.2317412892	 0.5307784113	-0.297902
+H	-0.5202806702	 0.4221201104	 0.8456225168	 0.129028
+H	-0.2238752864	 0.777395303	-0.8658239591	 0.125583
+H	-0.4130516439	-0.9043163846	-0.3228219899	 0.116101
+H	 2.85297347	-1.1356052678	 1.5647691682	 0.116732
+H	 1.5181632604	-2.1398615473	 0.8436547537	 0.110126
+H	 2.1829131239	-1.3899314529	-1.4929580494	 0.094389
+H	 4.8120761606	-0.4533402353	-2.2762907421	 0.284806
+H	 4.4870191283	 0.0730437575	 1.2224108757	 0.117816
+H	 5.4448141139	 1.0603421688	 0.0169623147	 0.114575
+H	 3.4036639721	 2.4103371901	-0.5518211415	 0.108378
+19
+0 1934	3.1099376	1.4015853	1.2807533	0.5095	74.18	-0.24665	0.07876	0.32541	1072.2374	0.156268	-422.541122	-422.532896	-422.531952	-422.573162	32.728
+C	 0.0179475865	 0.0101148847	 0.4975242034	-0.480156
+C	 1.3918628285	 0.0652938085	-0.112559845	 0.418737
+C	 2.1067468102	 1.4095445182	-0.2875175773	-0.300701
+C	 3.1121638795	 1.2164252056	-1.4255658974	-0.091729
+C	 4.2461639401	 0.21509938	-1.2873849377	-0.349014
+C	 2.9669239882	-0.17950722	-1.9783624012	 0.376148
+O	 2.906921511	-0.3986143724	-3.3536907821	-0.467793
+C	 1.9250724648	-0.8731895123	-1.1164287865	-0.120339
+O	 2.2869774377	-1.0014177422	 0.2663962425	-0.293969
+H	 0.0329662444	 0.3924796482	 1.5243943995	 0.127078
+H	-0.6888703043	 0.6184368292	-0.0764001754	 0.123116
+H	-0.3462577364	-1.0198455538	 0.5257527365	 0.129925
+H	 1.3725266956	 2.1735484742	-0.5670619614	 0.105758
+H	 2.5717170434	 1.7333642588	 0.6504247726	 0.11247
+H	 3.2781513943	 2.0404655665	-2.1097821937	 0.095973
+H	 5.1012249041	 0.3891272396	-1.932596879	 0.10726
+H	 4.4632339733	-0.2181405216	-0.3188352039	 0.132709
+H	 3.4066180896	-1.1987669156	-3.5497558177	 0.284836
+H	 1.3552336596	-1.6957495357	-1.5428903961	 0.08969
+19
+0 1935	3.1633127	1.4795731	1.2354663	0.4035	74.29	-0.2555	0.0769	0.33240000000000003	1077.73	0.155751	-422.547431	-422.539055	-422.538111	-422.579788	32.41
+C	 2.4354019275	-2.5056440165	 3.5251646827	-0.486243
+C	 2.1010963883	-1.8984881904	 2.1911251815	 0.433042
+C	 3.2118622336	-1.3558132766	 1.2881291372	-0.318257
+C	 2.5153251025	-0.2897637871	 0.4559273013	-0.00863
+O	 2.0229923479	 0.8168787334	 1.2301523489	-0.303239
+C	 1.0879936328	-0.1913952676	 0.798006504	 0.409831
+C	-0.0116853789	 0.2372633362	-0.1297702598	-0.498742
+C	 0.8414545374	-1.2056410804	 1.8868654453	-0.121152
+O	 1.0606788913	-2.5534530473	 1.4359807434	-0.302068
+H	 3.0883140261	-3.3768128696	 3.4011207267	 0.127449
+H	 2.95850363	-1.7812376258	 4.1579138857	 0.128466
+H	 1.5279843077	-2.831746808	 4.0392114622	 0.130456
+H	 4.029425871	-0.9239110742	 1.8752309706	 0.113636
+H	 3.6265798501	-2.1508246353	 0.6589269965	 0.113812
+H	 2.8845953314	-0.0299033386	-0.5330111756	 0.094625
+H	-0.4609602687	-0.636746142	-0.6123282465	 0.137546
+H	-0.8002511601	 0.7639341368	 0.4189914462	 0.127467
+H	 0.3728136078	 0.9093643185	-0.9008762847	 0.130525
+H	 0.0432560922	-1.0716046754	 2.6141779144	 0.091476
+19
+0 1936	3.0761576	1.4794264	1.2337586	1.0209	74.18	-0.2481	0.08061	0.32871	1064.5705	0.156359	-422.547907	-422.539684	-422.538739	-422.580025	32.611
+C	 0.2429074647	 0.6718994746	 0.1726668734	-0.482935
+C	 1.5874757055	 0.0067705675	 0.0632360003	 0.42578
+O	 1.8330923007	-0.7368106354	-1.1491070104	-0.309659
+C	 2.6534334243	 0.4070597039	-0.8752814639	-0.017561
+C	 4.0300357387	 0.0452330052	-0.337077965	-0.329614
+C	 3.741823293	-0.5965195702	 1.0244744459	 0.435553
+O	 4.5843957631	-1.6104196347	 1.4736979601	-0.477143
+C	 3.1403230277	 0.2742815387	 2.084717925	-0.324132
+C	 2.2429123956	-0.6310037161	 1.2554000318	-0.207388
+H	 0.2519603954	 1.4361269772	 0.9566305631	 0.125107
+H	-0.0366840082	 1.1395131971	-0.7748099278	 0.127687
+H	-0.5289425399	-0.061580049	 0.4306041702	 0.127559
+H	 2.5327067092	 1.2373937373	-1.5679190918	 0.089561
+H	 4.5235196495	-0.6730274746	-1.0022931027	 0.105832
+H	 4.6816856878	 0.9228821392	-0.2575214635	 0.105629
+H	 4.4903261189	-2.3580698602	 0.8720846955	 0.282195
+H	 3.3222190888	-0.0351100452	 3.1074094051	 0.124118
+H	 3.0978109302	 1.3487872189	 1.9315881854	 0.107959
+H	 1.7742032549	-1.4820425342	 1.7381564593	 0.091452
+19
+0 1937	2.9743525	1.3936791	1.2820198	2.2093	74.06	-0.23866	0.07819	0.31685	1063.4933	0.156771	-422.535811	-422.527664	-422.52672	-422.567694	33.096
+O	-3.3863433876	-0.2754095666	 2.9462084532	-0.463485
+C	-2.475595121	 0.6912242899	 2.5105513592	 0.404598
+C	-1.3559482943	 1.0914246339	 3.433964837	-0.367757
+C	-1.0631532013	 0.2886118315	 2.1765150118	-0.161156
+C	-0.6485831062	 0.9929799795	 0.8930599791	 0.410058
+O	 0.0484225415	 0.2271831905	-0.043545141	-0.470938
+C	-0.5010093389	 2.4938554871	 0.8806675613	-0.366688
+C	-1.8048422507	 1.8479500609	 0.4409547777	-0.075102
+C	-2.9579480433	 1.6758314831	 1.4293106061	-0.316933
+H	-3.9210217835	 0.1130352571	 3.6470005384	 0.281062
+H	-1.0432895735	 2.12671202	 3.5133244857	 0.109671
+H	-1.2997141308	 0.5360974701	 4.3649863002	 0.110028
+H	-0.7387258496	-0.7390570994	 2.2873536755	 0.097466
+H	 0.9757193075	 0.211736286	 0.2174038361	 0.28166
+H	-0.4469982192	 3.0610451439	 1.803620007	 0.107619
+H	 0.1078159007	 2.895117027	 0.0769951404	 0.111012
+H	-2.0409580642	 1.9125248414	-0.6149133519	 0.096778
+H	-3.3102617003	 2.6263725194	 1.8475761145	 0.095704
+H	-3.8072704052	 1.2063439646	 0.9233499295	 0.116404
+19
+0 1938	2.407698	1.6414759	1.3137139	1.0968	75.4	-0.22061	0.06583	0.28644000000000003	1065.478	0.153814	-422.487755	-422.4786	-422.477656	-422.5208	34.982
+C	 4.2163687786	-2.1803141439	 0.6474412659	-0.49572
+C	 3.3942295252	-0.9300629704	 0.5461639059	 0.248665
+C	 3.5517300366	 0.2825302534	 1.4478777373	-0.40307
+C	 2.2351519891	-0.4472878751	 1.3940035755	 0.265833
+O	 1.6574104857	-1.105385465	 2.4647551073	-0.455657
+C	 1.4281444067	-0.1131300873	 0.079661226	 0.357246
+C	-0.0524189866	-0.1927680043	-0.0784741058	-0.508913
+O	 2.1866910007	 0.8413908601	-0.6831366365	-0.286169
+C	 2.5642327317	-0.5489306285	-0.7270929453	-0.116668
+H	 4.4395161457	-2.4121209979	 1.6931747882	 0.128753
+H	 3.6866093679	-3.0422003514	 0.2251613438	 0.119574
+H	 5.1689849086	-2.0804202049	 0.1135544772	 0.120988
+H	 4.1227758368	 0.0723498154	 2.3482147558	 0.10858
+H	 3.665191254	 1.2794389832	 1.0402239224	 0.130496
+H	 1.3953027095	-0.4487800067	 3.1198797505	 0.289205
+H	-0.5446520284	 0.6583456884	 0.4064888218	 0.126182
+H	-0.3266464279	-0.1878843109	-1.1366223395	 0.133113
+H	-0.4313226406	-1.1079947347	 0.3859766052	 0.138118
+H	 2.6202671169	-1.0213728296	-1.7020282558	 0.099444
+19
+0 1939	2.3585963	1.6723043	1.3321509	1.2138	75.31	-0.19719	0.06162	0.25881	1048.0524	0.154706	-422.487083	-422.478158	-422.477214	-422.51977	34.985
+C	 3.0162540255	-1.261713343	 1.6592942198	-0.490244
+C	 2.4019472387	-0.4837059628	 0.5323037503	 0.296815
+C	 1.5540608816	 0.7639335344	 0.7506680375	-0.429061
+C	 2.8127792624	 0.8313493716	-0.0714219827	 0.25361
+O	 3.9314993389	 1.5870057822	 0.2489642485	-0.460711
+C	 2.6907853526	 0.2264859882	-1.5078165542	 0.368076
+O	 3.6142658293	 0.5546620043	-2.476972358	-0.459431
+C	 1.350907615	-0.315851844	-1.844355438	-0.354707
+C	 2.2521542084	-1.1009964745	-0.8975987441	-0.207326
+H	 3.3007768777	-0.6008152765	 2.4835584325	 0.123635
+H	 2.3189984373	-2.0110451225	 2.0529043157	 0.120055
+H	 3.9179825176	-1.790032219	 1.3285253822	 0.119138
+H	 0.5597917888	 0.8979391573	 0.3371497569	 0.110751
+H	 1.6725773103	 1.1836190046	 1.7469486131	 0.112213
+H	 3.7270498948	 2.515634388	 0.0868022743	 0.291193
+H	 4.4562406641	 0.6841058089	-2.0218426932	 0.288145
+H	 0.4147730849	 0.1439985391	-1.5415844725	 0.107276
+H	 1.3146404786	-0.7555485234	-2.8378550374	 0.120589
+H	 2.5571901432	-2.1151891532	-1.1240097907	 0.089986
+19
+0 1940	2.3318684	1.6629278	1.3023128	1.7923	75.01	-0.19791	0.05744	0.25535	1053.9126	0.154472	-422.485733	-422.476734	-422.47579	-422.518548	35.153
+C	-0.006827575	-0.1854994332	-0.1192117758	-0.496663
+C	 1.4777221533	-0.0453822886	 0.050600636	 0.164185
+C	 2.3644725251	 0.7114309651	-0.9306027753	-0.39117
+C	 2.3410812764	 1.1253801221	 0.5032238531	 0.370905
+O	 2.0126574168	 2.429426021	 0.8320170465	-0.45297
+C	 3.1524422691	 0.200952424	 1.4606309791	-0.24482
+C	 3.7735341438	-1.0033901411	 0.7665602532	-0.331002
+C	 2.3035190126	-0.9772316609	 1.008310661	 0.359534
+O	 1.7124623357	-2.0057881015	 1.7210608935	-0.4459
+H	-0.51497473	-0.3656650335	 0.8366749855	 0.096221
+H	-0.43199631	 0.7278950858	-0.5465454514	 0.127735
+H	-0.26466178	-1.0187375255	-0.7833078944	 0.130757
+H	 3.2301818504	 0.2798560091	-1.4218256849	 0.110916
+H	 1.7976515794	 1.3853332121	-1.5682153005	 0.116709
+H	 1.588223538	 2.4256778654	 1.6976381232	 0.281808
+H	 3.4621233728	 0.5083638024	 2.4525030897	 0.087834
+H	 4.2280565035	-0.9526715942	-0.2167106596	 0.113614
+H	 4.2957957565	-1.661122293	 1.4560791017	 0.119195
+H	 0.9896027316	-1.6410246854	 2.2433134594	 0.283111
+19
+0 1941	2.3962036	1.6514466	1.29939	0.8178	75.19	-0.22111	0.06713	0.28824	1063.3859	0.153836	-422.487233	-422.478115	-422.477171	-422.520223	34.96
+C	 2.6824208985	 0.2578935124	-1.7656318673	-0.497477
+C	 2.3310571506	 1.0152757602	-0.5182223476	 0.208727
+C	 2.7543836707	 2.45173641	-0.250965929	-0.403534
+C	 3.185041877	 1.3542581268	 0.6854751606	 0.308937
+O	 4.49550417	 0.9749314405	 0.9046023171	-0.458028
+C	 2.0115643766	 0.9125069506	 1.626201075	-0.143577
+O	 0.8496544713	 1.7036154469	 1.328294117	-0.283711
+C	 1.1766026913	 0.5889113592	 0.4726998913	 0.381455
+C	 0.1295177404	-0.4455074253	 0.2222605591	-0.507735
+H	 2.692225608	-0.8243829379	-1.5933948074	 0.119453
+H	 1.9728502185	 0.4604402008	-2.576590497	 0.120391
+H	 3.6795443215	 0.540938227	-2.1161281623	 0.129195
+H	 3.5490373147	 2.7893384138	-0.9106505767	 0.108572
+H	 2.0388206887	 3.2066071649	 0.0501389716	 0.130224
+H	 4.937346678	 1.6789699349	 1.3931044218	 0.28836
+H	 2.0955660574	 0.4672966025	 2.6119330241	 0.10397
+H	-0.4006043583	-0.6753072131	 1.1502780419	 0.135161
+H	-0.6028934209	-0.0925342494	-0.5127659733	 0.130841
+H	 0.574858736	-1.3676559047	-0.1640011489	 0.128776
+19
+0 1942	2.323774	1.6621335	1.3194953	1.4445	75.3	-0.20192	0.06112	0.26304	1044.7349	0.154389	-422.484538	-422.475461	-422.474517	-422.517452	35.217
+C	-0.0434068795	-0.3184897331	-0.1305628939	-0.490146
+C	 1.4313080337	-0.1088507602	 0.0590803963	 0.28433
+C	 2.3035024381	 0.6621995457	-0.8989780924	-0.358031
+C	 2.6003797703	-0.7945914721	-0.6292242091	-0.174115
+C	 3.263002723	-1.0784135752	 0.7546412696	 0.299363
+O	 3.8415985666	-2.2993394424	 1.042682328	-0.45645
+C	 3.510212593	 0.1723325563	 1.5735842827	-0.413727
+C	 2.1134223493	-0.3766073158	 1.4482774709	 0.287473
+O	 1.389929585	-0.6575916955	 2.5910286211	-0.443784
+H	-0.6265377934	 0.4878889297	 0.3292726468	 0.127919
+H	-0.2964992892	-0.3502207364	-1.195004376	 0.118909
+H	-0.3822490404	-1.2617903043	 0.3152066243	 0.10444
+H	 1.8421675451	 0.8539314563	-1.8651205312	 0.107866
+H	 2.9682519223	 1.4584093113	-0.5836193611	 0.111791
+H	 2.5572117806	-1.5566245805	-1.3984210276	 0.088918
+H	 4.7842867482	-2.2445652416	 0.8477678839	 0.28639
+H	 3.9274957441	-0.070436879	 2.5473499619	 0.120894
+H	 3.840634135	 1.1250188371	 1.1718928744	 0.107061
+H	 0.9377590383	-1.4991813803	 2.4650523014	 0.290899
+19
+0 1943	2.3874259	1.6677204	1.2951668	0.9152	75.42	-0.22142	0.06736	0.28878000000000004	1066.6307	0.153645	-422.492435	-422.483259	-422.482315	-422.525451	35.175
+C	 2.0159970926	 2.4531580413	 0.9514450918	-0.505425
+C	 1.9439158243	 0.985693472	 1.213393761	 0.344915
+O	 0.8155283922	 0.4674027176	 1.9551400448	-0.327542
+C	 1.1326509913	-0.1067138513	 0.672353562	 0.269617
+C	 0.0798606482	-0.2134402361	-0.3792193519	-0.513047
+C	 2.3349498441	-1.1087936096	 0.8720132076	 0.324268
+O	 2.7090806985	-2.0043116948	-0.1135872937	-0.454303
+C	 2.8008806356	-1.1634711227	 2.2992457967	-0.356258
+C	 3.1633486523	 0.0266072161	 1.427560193	-0.197864
+H	 2.329999491	 2.9931556378	 1.8522024606	 0.132162
+H	 2.7429783625	 2.6679850056	 0.1612040759	 0.127254
+H	 1.0397866662	 2.8385549978	 0.6458155544	 0.131685
+H	-0.6518906689	-0.9883357023	-0.1216719143	 0.126621
+H	-0.4558497011	 0.7327290558	-0.4921818929	 0.131195
+H	 0.5330115936	-0.4843418209	-1.3374756121	 0.137711
+H	 2.295957692	-2.8536942777	 0.0786657633	 0.288661
+H	 2.1112018868	-1.0539966492	 3.1267774827	 0.131974
+H	 3.6299090109	-1.8472323732	 2.4564282425	 0.110563
+H	 4.1865554277	 0.2896477537	 1.1944991186	 0.097813
+19
+0 1944	2.4526091	1.646606	1.2689219	3.4193	75.55	-0.23552	0.05766	0.29318	1085.3912	0.152824	-422.483313	-422.474013	-422.473068	-422.516578	34.936
+C	-0.3081768811	 2.9711770004	-0.809546385	-0.51145
+C	 0.740403684	 2.2948602316	 0.0098650496	 0.384463
+O	 2.0905262305	 2.7598696594	-0.0444482324	-0.26086
+C	 1.4574263021	 2.6598883933	 1.2329924859	-0.171559
+C	 1.47906516	 1.1430547482	 1.6917681708	 0.318305
+C	 1.475795259	 0.6344572567	 3.0943839957	-0.512906
+O	 2.1435251876	 0.4008630392	 0.6636702364	-0.301044
+C	 0.7717763868	 0.7619521672	 0.4626504677	 0.275275
+C	-0.225014477	-0.2972909798	 0.1251833647	-0.513777
+H	-1.3109848853	 2.7214813597	-0.4472885951	 0.124387
+H	-0.1822325592	 4.0562393813	-0.7652676012	 0.137962
+H	-0.2443577698	 2.6622933528	-1.8590889309	 0.134519
+H	 1.4106041523	 3.5445680743	 1.8582048521	 0.105293
+H	 1.242422057	-0.4334376562	 3.1180635611	 0.134383
+H	 2.4564636885	 0.7794765688	 3.5617971187	 0.136926
+H	 0.7340979234	 1.1677864462	 3.6987692326	 0.124611
+H	-1.2481792002	 0.0694084836	 0.2586375837	 0.124155
+H	-0.1162094911	-0.6169287656	-0.9175104988	 0.13602
+H	-0.0838515872	-1.1737283411	 0.7635561244	 0.135297
+19
+0 1945	3.0434945	1.5420361	1.411776	1.3598	74.02	-0.23821	0.08528	0.32349	1005.8965	0.156926	-422.518092	-422.510309	-422.509364	-422.549609	31.901
+C	-0.0005780256	-0.1593521212	-0.2228910633	-0.501273
+C	 1.5004916737	-0.1781133013	-0.156915996	 0.422759
+C	 2.4281498667	 0.426593673	-1.2405715061	-0.286658
+C	 3.3143281445	 0.547187957	 0.0118768336	-0.02801
+O	 2.0889410487	 0.8234023792	 0.7809191321	-0.347504
+C	 3.6186327071	-0.8955777228	 0.4706886318	 0.453456
+O	 4.4281799774	-1.0780566314	 1.5822464606	-0.468964
+C	 3.3973129265	-2.0357410046	-0.4664951717	-0.358947
+C	 2.218499918	-1.463782161	 0.310793547	-0.175087
+H	-0.4305426517	-0.4490805752	 0.741668393	 0.128851
+H	-0.3669349772	 0.838387732	-0.4784514929	 0.127285
+H	-0.354030277	-0.8680868244	-0.9785447131	 0.126789
+H	 2.743633476	-0.1627424431	-2.1017970235	 0.097673
+H	 2.0657185835	 1.4065589257	-1.5523247193	 0.110487
+H	 4.0982571897	 1.2936410854	 0.1381059757	 0.080838
+H	 4.0268111926	-0.5811048138	 2.3058931093	 0.286819
+H	 3.4884631022	-1.9309696316	-1.5413330042	 0.114726
+H	 3.7508848014	-2.9907603451	-0.089250266	 0.124112
+H	 1.7574402435	-2.0656772271	 1.0853061927	 0.092647
+19
+0 1946	3.2474626	1.5465614	1.3704495	3.0519	74.37	-0.23814	0.08185	0.31999	1022.0299	0.155848	-422.513169	-422.505134	-422.504189	-422.545071	31.786
+C	 4.7559586567	-0.3264656607	 1.6139275868	-0.499181
+C	 3.4746247844	-0.5334990195	 0.867367848	 0.428064
+O	 2.7154063999	-1.7239159091	 1.1183899502	-0.274905
+C	 2.0967042755	-0.4544225623	 1.350800357	-0.09746
+C	 1.3932501075	 0.1345478226	 0.0836181626	 0.376303
+C	-0.1035308114	 0.2258451269	 0.0197515571	-0.506184
+C	 2.3871929587	 1.289171703	-0.2672962055	-0.275401
+C	 3.2354977007	 0.02572718	-0.573730514	-0.023055
+O	 2.0180372858	-0.6431865979	-0.9807008395	-0.291337
+H	 4.6422101769	-0.6083658257	 2.6636989009	 0.134559
+H	 5.5592173423	-0.9351278627	 1.1837287092	 0.132302
+H	 5.0707279826	 0.7217933362	 1.5656147551	 0.123782
+H	 1.7802162085	-0.2267209295	 2.3638612149	 0.096175
+H	-0.4840603095	 0.8411289049	 0.8418317724	 0.121171
+H	-0.4287977503	 0.6686496263	-0.9255202693	 0.128795
+H	-0.5459598606	-0.7715871941	 0.1059502122	 0.141565
+H	 2.0946817626	 1.8331893018	-1.1675864855	 0.108485
+H	 2.7111853749	 1.9684599452	 0.5274707594	 0.094411
+H	 4.0410122849	-0.0101410955	-1.306761162	 0.08191
+19
+0 1947	3.1148614	1.5238801	1.3729857	0.7766	73.92	-0.24006	0.07052	0.31057999999999997	1013.8016	0.156905	-422.526733	-422.518911	-422.517967	-422.558307	31.798
+C	-0.0232820762	 0.1926325593	 0.0449779818	-0.491142
+C	 1.4659677112	 0.0516343321	-0.0454420894	 0.441942
+O	 2.1917675653	-0.1091245704	 1.1922650192	-0.303201
+C	 2.4895587568	 1.0182464868	 0.3483913617	-0.125219
+C	 3.5744913809	 0.7719815006	-0.7361053316	 0.384252
+O	 4.7000372634	 1.58997014	-0.7633532968	-0.484677
+C	 2.6616426629	 0.7099311986	-2.0007770217	-0.25709
+C	 2.1530164626	-0.5897298205	-1.2833707334	-0.120992
+C	 3.6210915967	-0.7832227031	-0.8132216131	-0.288699
+H	-0.3014140013	 0.8375288129	 0.8822655636	 0.130931
+H	-0.427693386	 0.6203218911	-0.8786364875	 0.125901
+H	-0.4963732704	-0.7846062987	 0.1939806836	 0.128612
+H	 2.3143592249	 2.0071675345	 0.7620042434	 0.098268
+H	 5.1717732622	 1.4861419395	 0.0702212936	 0.282816
+H	 1.9491090752	 1.5260506193	-2.1537096421	 0.094485
+H	 3.2228185376	 0.5127273715	-2.9171819868	 0.104491
+H	 1.6121037498	-1.3684179401	-1.8186080981	 0.066954
+H	 3.7997196366	-1.3485413645	 0.0994570265	 0.113644
+H	 4.266597598	-1.1129219986	-1.6288743728	 0.098723
+19
+0 1948	2.997239	1.5449443	1.3847312	1.1841	74.3	-0.24552	0.07689	0.32241	998.3556	0.157516	-422.526435	-422.518682	-422.517738	-422.557848	32.096
+O	-3.0541742936	 2.9048549642	 1.9685845025	-0.472229
+C	-2.4592338539	 2.1975548473	 0.923915282	 0.423497
+C	-1.7264424175	 2.9334444045	-0.1724513781	-0.379875
+C	-0.9631004232	 2.0904027508	 0.835767609	-0.167307
+C	-0.819960858	 0.5609962012	 0.6417156243	 0.421453
+O	 0.4477015464	 0.0192995125	 0.4507476079	-0.484646
+C	-1.83820265	 0.0508850762	 1.7408480493	-0.283688
+C	-2.8526588933	 0.7119400345	 0.751178436	-0.107437
+C	-1.9176567452	 0.2004213731	-0.3796281177	-0.278125
+H	-3.9167989499	 3.2093493387	 1.6662775672	 0.282154
+H	-1.7940022308	 2.6615647504	-1.219190072	 0.113611
+H	-1.6492811032	 4.0026414859	 0.0002101809	 0.112795
+H	-0.3236773133	 2.5834730359	 1.561009849	 0.087827
+H	 1.0450113021	 0.3991693654	 1.1035621116	 0.278865
+H	-1.903323228	-1.0393226008	 1.7778490706	 0.093659
+H	-1.7714512161	 0.478532345	 2.7443693982	 0.098227
+H	-3.9157025787	 0.4734496511	 0.7638140454	 0.06057
+H	-1.994050356	-0.8817910432	-0.5009948638	 0.105139
+H	-1.925384548	 0.6802215874	-1.3584236824	 0.09551
+19
+0 1949	2.652059	1.566857	1.3675408	0.7394	74.87	-0.2319	0.05985	0.29175	1038.385	0.155986	-422.500772	-422.492555	-422.491611	-422.532862	32.479
+C	-0.0702799643	 0.1857617069	-0.0670048978	-0.50661
+C	 1.4176727097	-0.0186381427	-0.0606552408	 0.358446
+C	 2.3148747514	 0.3642348294	 1.0789079039	-0.349679
+C	 2.5750354019	 0.9813424588	-0.2687990487	-0.14653
+C	 3.2772803541	 0.0136038058	-1.2415270568	 0.376006
+O	 3.5552038215	 0.6318893583	-2.4554574272	-0.477657
+C	 4.2308819325	-1.0639430648	-0.6693907074	-0.165836
+O	 3.1065600289	-1.9254351197	-0.3550260712	-0.295288
+C	 2.1597964258	-1.0223755672	-0.9832907676	-0.041177
+H	-0.341108952	 1.1067857005	 0.4597416671	 0.119608
+H	-0.4637847488	 0.2591663713	-1.0872785373	 0.118853
+H	-0.5866047345	-0.6444206931	 0.4303826097	 0.124248
+H	 1.8654339767	 1.0410528854	 1.7994686728	 0.109985
+H	 2.9901076261	-0.3636779186	 1.5153611588	 0.127777
+H	 2.5417563403	 2.0509337514	-0.4386482384	 0.094167
+H	 3.8274227894	-0.0425467693	-3.0876592771	 0.282811
+H	 4.8806289468	-1.5171269267	-1.4327095574	 0.088559
+H	 4.8313266502	-0.8132688788	 0.212047392	 0.108783
+H	 1.5636448844	-1.4961581969	-1.7682168466	 0.073535
+19
+0 1950	2.635232	1.570748	1.3658686	0.9557	74.48	-0.23788	0.06568	0.30356	1034.329	0.156	-422.499081	-422.490837	-422.489893	-422.531181	32.523
+C	-0.0247081745	-0.0745244538	 0.0458346803	-0.495257
+C	 1.4864448489	-0.0470911847	 0.0558637611	 0.318952
+C	 2.2723861398	-1.3488370248	-0.2387118938	-0.149439
+O	 3.0778928953	-0.6851707608	-1.248009003	-0.300486
+C	 2.3345499711	 0.5474481248	-1.0890200048	-0.014056
+C	 2.925667909	 1.6040063584	-0.1241232412	 0.384144
+O	 3.0555940201	 2.9443001108	-0.4397737338	-0.462841
+C	 3.6480393353	 0.9438312619	 1.0073547009	-0.368101
+C	 2.1323661476	 0.9773792075	 1.0252680833	-0.17921
+H	-0.4162469401	-0.5398434278	 0.9585168566	 0.120428
+H	-0.4341777746	 0.940034342	-0.0079360015	 0.126272
+H	-0.406633893	-0.6398748762	-0.8105788808	 0.119377
+H	 2.8793268572	-1.7728732463	 0.5696592514	 0.10066
+H	 1.6614326194	-2.1437152177	-0.6850059519	 0.098571
+H	 1.9172386725	 0.9369377564	-2.0218858959	 0.078797
+H	 3.9661379443	 3.1044322866	-0.7124295727	 0.287973
+H	 4.2090216846	 0.0271929249	 0.8591684625	 0.127967
+H	 4.0972395879	 1.6466464778	 1.702670568	 0.113259
+H	 1.5987282391	 1.4600681409	 1.8358504154	 0.092992
+19
+0 1951	2.7373852	1.5654404	1.3636334	2.8858	74.88	-0.23825	0.05849	0.29674	1046.863	0.155254	-422.494774	-422.486379	-422.485434	-422.52717	32.271
+C	 3.7164821933	-1.1025241808	 2.4647066334	-0.511856
+C	 2.9966354125	-0.7467162308	 1.2056415097	 0.414246
+O	 3.2501970983	-1.5280589433	 0.0323650748	-0.269791
+C	 1.8910895558	-1.377121375	 0.4467752538	-0.122877
+C	 1.3699790021	-0.0054864783	-0.0675062038	 0.259274
+C	-0.0914229337	 0.3016720422	 0.155410024	-0.498845
+C	 2.1104721741	 0.5493368922	-1.312258354	-0.120224
+O	 3.1425886609	 1.1515065585	-0.4877826424	-0.286928
+C	 2.5296204424	 0.6638223507	 0.7119694344	-0.012481
+H	 3.7082094567	-2.1852017283	 2.6175960904	 0.134732
+H	 4.760039231	-0.7714285149	 2.4181692576	 0.139078
+H	 3.2490601527	-0.6218740308	 3.3302612743	 0.124123
+H	 1.3223026602	-2.2839709697	 0.6297117031	 0.098142
+H	-0.4006214383	 0.0417958504	 1.1742803795	 0.120017
+H	-0.301858923	 1.3649519993	 0.0023192111	 0.126636
+H	-0.7238520181	-0.2688556969	-0.5353261306	 0.124031
+H	 2.5202249842	-0.1898459817	-2.006049721	 0.114432
+H	 1.5498026865	 1.3162645074	-1.8609074049	 0.094583
+H	 2.3914098525	 1.4246599597	 1.4866223407	 0.073708
+19
+0 1952	2.8508268	1.5406657	1.3618635	3.0287	74.89	-0.23759	0.06405	0.30164	1044.3093	0.155172	-422.499159	-422.490803	-422.489859	-422.531466	32.358
+C	 3.6052310175	-0.7263662176	 2.6200348226	-0.504986
+C	 2.9511230283	-0.5291989766	 1.2918262554	 0.410267
+O	 3.3159462753	-1.3957857029	 0.2132165513	-0.267597
+C	 1.9282888743	-1.2991833679	 0.5461835296	-0.115561
+C	 1.3641601388	 0.0099638053	-0.0932683274	 0.44862
+C	-0.1196972746	 0.2339736655	 0.0139625251	-0.484584
+O	 1.9259620032	 0.3481622561	-1.3773749342	-0.322293
+C	 2.9868829619	 1.1240003669	-0.7625362479	-0.091102
+C	 2.4675219516	 0.8054792139	 0.6551414187	-0.234804
+H	 3.6606960408	-1.790900539	 2.8625442362	 0.136546
+H	 4.6247113711	-0.3237979549	 2.6148475619	 0.132701
+H	 3.0464348061	-0.2131991694	 3.4093841674	 0.124922
+H	 1.4113692911	-2.2272183831	 0.7736620055	 0.095728
+H	-0.4768025184	 0.0073861642	 1.0243767314	 0.119111
+H	-0.3774365948	 1.2691886019	-0.2260157956	 0.12717
+H	-0.6482197894	-0.4214194882	-0.6876819601	 0.133523
+H	 3.9771148073	 0.7348941396	-1.0143787738	 0.114421
+H	 2.9124984125	 2.1809426821	-1.0436654691	 0.096187
+H	 2.2342172873	 1.6212687842	 1.338069813	 0.081731
+19
+0 1953	2.710637	1.5648318	1.3534949	1.9515	74.73	-0.23675	0.0712	0.30795	1041.3229	0.155393	-422.506308	-422.497951	-422.497007	-422.538555	32.894
+C	-0.0515803181	 0.1604356155	-0.0288060671	-0.505191
+C	 1.4263680516	 0.0095865251	-0.181757949	 0.413963
+O	 2.2517225989	 0.2342742682	 0.9775869451	-0.281631
+C	 2.5397599124	 0.9780168543	-0.2109631415	-0.083389
+C	 3.3728464532	 0.0759365327	-1.1527448391	 0.397866
+O	 3.7577052916	 0.7870233465	-2.2881040761	-0.485556
+C	 4.3306106274	-0.9562666875	-0.4912537783	-0.289336
+C	 3.1573137285	-1.9841644729	-0.4010984831	-0.227261
+C	 2.2019259012	-0.9754521057	-1.1036730759	-0.187627
+H	-0.2843314194	 1.0424718135	 0.5740174265	 0.134362
+H	-0.5330360425	 0.2642520165	-1.0064450812	 0.126207
+H	-0.4827395982	-0.7167354122	 0.4674443088	 0.129646
+H	 2.5729987906	 2.0606336158	-0.1379544588	 0.100576
+H	 4.1259413612	 0.1674392477	-2.92656932	 0.28102
+H	 5.1241292719	-1.2657447971	-1.1798936207	 0.087173
+H	 4.7849599089	-0.6522425894	 0.4536936148	 0.112447
+H	 3.3243118877	-2.8972242196	-0.9769247682	 0.09302
+H	 2.8664357208	-2.2519914906	 0.6150196236	 0.114247
+H	 1.6770420924	-1.279191131	-2.0102162399	 0.069464
+19
+0 1954	2.7622999	1.5269882	1.3726186	1.4606	74.59	-0.24236	0.07312	0.31548	1032.0758	0.155867	-422.502844	-422.494593	-422.493649	-422.534941	32.635
+C	-0.0173440316	-0.1280479971	 0.0337115492	-0.478519
+C	 1.4815698847	 0.0033935054	 0.0055259678	 0.461667
+O	 2.1687148283	-1.2870682774	-0.0523264049	-0.337245
+C	 2.8869918308	-0.903640176	-1.2522097325	-0.117073
+C	 2.3174898662	 0.5242981209	-1.1869420231	-0.201768
+C	 2.9756739663	 1.5505310495	-0.2308061965	 0.387984
+O	 3.2202679197	 2.861803924	-0.5977256686	-0.463243
+C	 3.6234077237	 0.9117266518	 0.9628154422	-0.368001
+C	 2.1193148518	 1.0616378635	 0.9379077494	-0.155729
+H	-0.3351608616	-0.6054144139	 0.967703154	 0.129579
+H	-0.4921237165	 0.8568196787	-0.0229825803	 0.123652
+H	-0.3723660401	-0.7397743246	-0.8005222357	 0.121788
+H	 3.9720196016	-1.0214749169	-1.1456134271	 0.096786
+H	 2.5466555685	-1.4841490896	-2.1187148592	 0.10055
+H	 1.853411555	 0.9647711856	-2.068292451	 0.083601
+H	 4.1472510246	 2.9407560011	-0.8487379124	 0.286355
+H	 4.0708190917	-0.0756674787	 0.934335763	 0.129373
+H	 4.1196807561	 1.625059486	 1.613597394	 0.111968
+H	 1.5887249608	 1.6204053776	 1.7001357516	 0.088277
+19
+0 1955	2.6496557	1.5321915	1.3492613	1.7113	74.47	-0.22633	0.07648	0.30281	1035.4225	0.156044	-422.50681	-422.498574	-422.49763	-422.538816	33.152
+O	-3.0756108993	 0.5805639653	 2.6578328236	-0.464717
+C	-2.1501145183	 1.337995181	 1.9590055817	 0.388057
+C	-1.4863671037	 2.5408378646	 2.5572521863	-0.36044
+C	-0.6360511215	 1.3526751031	 2.1503568443	-0.208578
+C	-0.4330318757	 1.2661514401	 0.6172447544	 0.459657
+O	 0.4108246354	 0.2435384146	 0.1757959304	-0.483642
+C	-0.3191239653	 2.5610872599	-0.2294365813	-0.279028
+C	-1.8735373973	 2.5745659954	-0.4141332713	-0.248345
+C	-1.9841705283	 1.26218797	 0.4172742685	-0.167969
+H	-3.8670820363	 1.1142310521	 2.7908281586	 0.284251
+H	-1.4192090972	 3.4972990059	 2.0474328851	 0.11195
+H	-1.6231947224	 2.6206175243	 3.6319982518	 0.114375
+H	-0.0065894892	 0.8470482531	 2.8755807408	 0.088822
+H	 0.226589362	-0.5454920568	 0.6979861991	 0.279018
+H	 0.1306484171	 3.4278629117	 0.2607047244	 0.099243
+H	 0.2203077957	 2.3657892919	-1.1583673683	 0.113698
+H	-2.3957732154	 3.4419419818	-0.0022723763	 0.096926
+H	-2.1853589432	 2.4541504026	-1.4536364737	 0.102805
+H	-2.4806329571	 0.4006934794	-0.0299737982	 0.073917
+19
+0 1956	3.441586	1.3028522	1.1921201	1.5909	75.24	-0.23411	0.07694	0.31105	1112.2659	0.156403	-422.524796	-422.516624	-422.51568	-422.557234	31.706
+C	 0.1090343129	 0.2539863087	-0.1879091422	-0.463703
+C	 1.4643200123	-0.2615316934	 0.1999937539	 0.456721
+C	 1.829443054	-0.6073794714	 1.6172124809	-0.361707
+C	 2.5426197147	 0.5322262966	 0.8923999669	-0.223628
+C	 3.8110520594	 0.152170354	 0.1947551756	 0.442197
+C	 4.8872775772	 1.0942416592	-0.1260357719	-0.256925
+O	 5.0558301198	 0.0964299363	 0.8905718196	-0.279523
+C	 3.4534550613	-1.0603910668	-0.6735632201	-0.181213
+O	 2.0402309205	-1.0521419695	-0.8234256015	-0.29838
+H	-0.309567419	 0.8753429179	 0.6081416192	 0.11883
+H	 0.169550714	 0.8498370394	-1.1039211244	 0.125269
+H	-0.5784098851	-0.5788069275	-0.3685337392	 0.131592
+H	 1.1304537604	-0.3231152232	 2.3963308346	 0.11586
+H	 2.3831667878	-1.5174462867	 1.8213944554	 0.124601
+H	 2.3987765016	 1.5550040546	 1.2190175491	 0.09223
+H	 5.4832958678	 0.9500947171	-1.0269544657	 0.114152
+H	 4.8356841616	 2.1218815626	 0.2331586938	 0.115103
+H	 3.908122928	-1.0323277952	-1.6682473561	 0.114741
+H	 3.7959783509	-1.9745400828	-0.167742698	 0.113783
+19
+0 1957	3.3704776	1.3037674	1.1899946	0.6565	75.2	-0.25378	0.07757	0.33135000000000003	1118.4889	0.156475	-422.540129	-422.531949	-422.531004	-422.572545	31.686
+C	-0.0410200562	-0.0460793122	-0.0611015411	-0.484846
+C	 1.4589764436	 0.0416686996	-0.0251842245	 0.418583
+C	 2.1744099151	 1.3360281489	-0.3979634334	-0.282574
+C	 3.6708585703	 0.946950537	-0.4938815138	-0.311707
+C	 3.6633623489	-0.5455126719	-0.817094492	 0.441687
+C	 4.8526128867	-1.3549707274	-1.0847504646	-0.253921
+O	 3.9824337958	-0.9613554661	-2.153196373	-0.280548
+C	 2.3720509446	-1.0860038047	-0.2762591483	-0.111317
+O	 2.1118015375	-0.6404559475	 1.0648306848	-0.303284
+H	-0.4860279014	 0.6610888755	 0.6476304577	 0.127871
+H	-0.4199577016	 0.1962017047	-1.0593891903	 0.125904
+H	-0.3753390358	-1.0511680781	 0.2072761092	 0.131576
+H	 1.7942930061	 1.6834118277	-1.3655197455	 0.111129
+H	 1.9920481232	 2.1303478675	 0.3324062276	 0.107662
+H	 4.2129177614	 1.5062172161	-1.2590324827	 0.115788
+H	 4.1659653691	 1.1096985625	 0.4666678605	 0.123094
+H	 5.8339826661	-0.8815798332	-1.0849954144	 0.114615
+H	 4.8535833262	-2.418606191	-0.8487054726	 0.114667
+H	 2.0443522602	-2.0902220173	-0.5324158235	 0.095621
+19
+0 1958	3.5193449	1.3121527	1.2050659	2.3165	76.07	-0.23337	0.08858	0.32195	1114.187	0.156065	-422.529095	-422.520858	-422.519914	-422.561551	31.903
+C	-2.7338356704	-2.1990150276	-1.2821613907	-0.490787
+C	-2.0373941068	-1.0652442747	-0.5854738634	 0.397144
+C	-1.7801922176	-1.1038429492	 0.9138244951	-0.14825
+O	-0.8344699526	-0.070912041	 1.1807182498	-0.30046
+C	-0.1160567433	 0.2110628549	-0.000565907	 0.468198
+C	 0.7826131764	 1.4008780933	 0.0233658882	-0.327521
+C	 1.3784060581	 0.0035244716	-0.0256062092	-0.339676
+C	-0.9802211998	-0.2128756121	-1.1418950527	-0.15356
+O	-2.3300452956	 0.2683496424	-1.0333470304	-0.292747
+H	-3.7610694818	-2.3061894939	-0.9166441439	 0.132295
+H	-2.7761022609	-2.016366933	-2.3584409028	 0.135337
+H	-2.2132342244	-3.1458804738	-1.1054330638	 0.126099
+H	-2.6754379097	-0.9001436954	 1.5105389138	 0.115914
+H	-1.3856000582	-2.0932853171	 1.1956933381	 0.093578
+H	 0.8387054431	 2.0257109125	-0.8611602358	 0.120081
+H	 0.8461850839	 1.936347522	 0.9638275471	 0.130074
+H	 1.8506244385	-0.3311303662	-0.9440638513	 0.110673
+H	 1.8265606174	-0.3767844005	 0.885195379	 0.123805
+H	-0.5779013563	-0.315697432	-2.1459614501	 0.099801
+19
+0 1959	3.3756498	1.3123677	1.2237573	1.3673	75.76	-0.23031	0.0704	0.30071	1094.979	0.156763	-422.529678	-422.521605	-422.520661	-422.561775	32.184
+O	-3.0669524019	 0.1535796432	-1.2555057224	-0.467182
+C	-2.1029004162	-0.6380682163	-0.6376364357	 0.372407
+C	-1.6698013968	-1.9514505436	-1.2322914759	-0.362301
+C	-0.7207748028	-0.7637435047	-1.2183218735	-0.183209
+C	 0.2104292451	-0.6777262898	-0.0471969287	 0.474265
+C	 1.3149686303	 0.342505678	 0.0343445519	-0.337216
+C	 1.6247269464	-1.1481628885	-0.0031764415	-0.335747
+O	-0.5644647393	-0.9325808701	 1.1116265926	-0.296905
+C	-1.8883508624	-0.4686877573	 0.861992775	-0.156606
+H	-3.9178063277	-0.2897635216	-1.170037604	 0.286441
+H	-1.4661473461	-2.7915275779	-0.575723165	 0.122726
+H	-2.0993797484	-2.2010724949	-2.1962801329	 0.112338
+H	-0.4640507425	-0.2773437795	-2.1507733678	 0.101048
+H	 1.5416165794	 0.942875628	-0.8408124576	 0.111189
+H	 1.4425243842	 0.8498125482	 0.9839547552	 0.120557
+H	 2.0568638278	-1.5674041245	-0.9052962457	 0.11512
+H	 1.9583395748	-1.6095952956	 0.9195931469	 0.123332
+H	-2.5637815428	-1.0577665252	 1.4921100283	 0.098847
+H	-2.0068935111	 0.5970001621	 1.1121569807	 0.100896
+19
+0 1960	3.2998521	1.2867614	1.1729986	1.9707	74.98	-0.25207	0.07663	0.3287	1111.6804	0.157152	-422.538336	-422.530315	-422.529371	-422.570459	31.903
+O	-3.1462171926	-0.7630800423	-1.4228307666	-0.47248
+C	-2.0207873634	-0.988784658	-0.629623631	 0.405755
+C	-0.9918759378	-1.9922942469	-1.0726174465	-0.360953
+C	-0.6784479598	-0.5015670818	-1.1103803435	-0.171368
+C	 0.0430025131	 0.0617718499	 0.078681081	 0.496692
+C	 0.781498563	 1.3292249346	 0.0230796071	-0.261431
+O	 1.4719098713	 0.0767362443	 0.1052503156	-0.290274
+C	-0.6841446073	-0.4346819898	 1.3308321228	-0.329751
+C	-2.1333325927	-0.6932691506	 0.8641830724	-0.281761
+H	-3.7374158288	-1.5172396023	-1.3226812875	 0.282704
+H	-0.4898990901	-2.62928723	-0.3513783751	 0.115511
+H	-1.1680102584	-2.4496170971	-2.0398328334	 0.116211
+H	-0.5713015791	-0.0266229803	-2.0778414613	 0.096402
+H	 0.8843599943	 1.8580715536	-0.9244421985	 0.112207
+H	 0.844825228	 1.9585255062	 0.9107369769	 0.109464
+H	-0.2077400601	-1.3624564963	 1.6653100974	 0.119516
+H	-0.621209693	 0.2730573773	 2.1603633735	 0.108458
+H	-2.6217765687	-1.4961582628	 1.4279880003	 0.092911
+H	-2.7452924479	 0.2084774323	 0.9755953064	 0.112185
+19
+0 1961	3.9430298	1.2007946	1.0912004	2.6293	75.49	-0.23804	0.07046	0.3085	1165.4942	0.155723	-422.495915	-422.487553	-422.486609	-422.52891	31.619
+C	-3.4222306848	 2.5311918911	 0.0346408004	-0.487365
+C	-1.9450698877	 2.5625699437	-0.1740032458	 0.463437
+C	-1.148690727	 3.5633080264	-0.9511310963	-0.34264
+C	-1.0087484377	 2.0806232539	-1.2607772079	-0.260754
+C	-0.2395826167	 1.4192791595	-0.1316092013	 0.374938
+C	 1.2817276323	 1.5008340349	 0.0759473917	-0.13609
+O	 1.4106030761	 0.0712356053	-0.0834304778	-0.275699
+C	-0.0211674346	-0.1042371946	-0.0963496072	-0.135823
+O	-1.1137149718	 1.9966122891	 0.8605728779	-0.351194
+H	-3.701795484	 3.1609476639	 0.8867873948	 0.135305
+H	-3.9415944851	 2.9105443048	-0.8499542274	 0.125511
+H	-3.7693734866	 1.5131793147	 0.2364106063	 0.129043
+H	-1.6986433971	 4.1266986609	-1.6989717762	 0.115423
+H	-0.3406723329	 4.1058764868	-0.467509767	 0.115273
+H	-1.2037443306	 1.6500279376	-2.2340826642	 0.103485
+H	 1.8556620816	 2.058936468	-0.6729183302	 0.105345
+H	 1.5621237258	 1.834581771	 1.0832037745	 0.110317
+H	-0.3621073991	-0.6771207145	-0.9671604898	 0.102583
+H	-0.3983577899	-0.5678458826	 0.8241933656	 0.108906
+19
+0 1962	4.1927541	1.15738	1.081182	3.3533	75.84	-0.23229	0.07209	0.30438	1186.523	0.155686	-422.503211	-422.494805	-422.493861	-422.536394	31.659
+C	 3.2275367754	-1.0761876828	-3.2736544784	-0.502033
+C	 2.6952079185	-0.2157096386	-2.1756763166	 0.421518
+C	 2.1788238927	-0.6292140464	-0.7846399169	-0.381891
+C	 1.2063904137	 0.5964687446	-0.8450009027	 0.464552
+C	-0.3214103142	 0.4003562844	-0.7496957204	-0.361207
+C	-0.2356984578	 1.4538127929	 0.3722203257	-0.070825
+O	 1.1965588648	 1.5497218483	 0.2264476054	-0.31001
+C	 1.8306759998	 0.98464737	-2.1875475508	-0.1208
+O	 3.2474095791	 1.0949253019	-1.9952756383	-0.281156
+H	 4.1947906093	-1.50812092	-2.9929019999	 0.133382
+H	 2.5417607009	-1.9022422703	-3.4880345422	 0.123507
+H	 3.3689986861	-0.4890786339	-4.1848807105	 0.135229
+H	 1.6498419494	-1.5857407647	-0.753085956	 0.101633
+H	 2.9318405384	-0.5864689806	 0.0050275189	 0.118509
+H	-0.8862815727	 0.6974653251	-1.636064032	 0.112009
+H	-0.6416720097	-0.5950572263	-0.4371665019	 0.113269
+H	-0.7326888676	 2.4087764888	 0.164538134	 0.105257
+H	-0.5231316069	 1.1142030541	 1.3740967528	 0.105161
+H	 1.3939840306	 1.5514679534	-3.00428769	 0.093896
+19
+0 1963	4.2537994	1.1119068	1.0409342	2.4984	75.32	-0.2435	0.07094	0.31444	1205.9757	0.155758	-422.497576	-422.489143	-422.488199	-422.530851	31.51
+C	-3.5950701011	 2.7071581961	 0.006512788	-0.500094
+C	-2.1242083062	 2.4514670339	 0.0084074621	 0.429208
+C	-1.2295993724	 1.953952069	-1.1447696271	-0.39134
+C	-0.2630928004	 1.3466115451	-0.0783540114	 0.303943
+C	 1.2499782415	 1.6068731641	 0.0001813053	-0.128507
+O	 1.5267611578	 0.1926270794	 0.1181246403	-0.275369
+C	 0.1420907314	-0.1395854332	-0.0962323035	-0.14082
+C	-1.2067811182	 1.8725642801	 1.0069849108	-0.128282
+O	-1.286340903	 3.2941969289	 0.8189217291	-0.289506
+H	-3.9494646569	 2.9031466841	 1.0218860136	 0.136317
+H	-3.8363355649	 3.5785674742	-0.6127914219	 0.133118
+H	-4.1390839076	 1.8475003808	-0.3978376459	 0.124942
+H	-1.7009245794	 1.1798434042	-1.7580268456	 0.106668
+H	-0.8238664789	 2.7369489307	-1.7911570663	 0.109604
+H	 1.6927037927	 2.0347526417	-0.9091567415	 0.100184
+H	 1.5981290105	 2.1754284926	 0.8701693685	 0.1116
+H	-0.0174754049	-0.6474390546	-1.0578214547	 0.096458
+H	-0.2638345894	-0.7678470806	 0.7077083825	 0.101129
+H	-1.3756458507	 1.4906645133	 2.0089813577	 0.100748
+19
+0 1964	4.0078494	1.1704699	1.0768522	2.6839	75.6	-0.23756	0.07777	0.31533	1168.5832	0.1562	-422.507135	-422.498801	-422.497856	-422.540122	32.001
+O	 4.2883668537	-0.1871851392	 2.1579683567	-0.463723
+C	 2.9283400389	-0.2863056605	 1.9321604766	 0.40839
+C	 2.2214485647	-1.6022797085	 1.7965686224	-0.348374
+C	 2.2391526159	-0.637389459	 0.6230522478	-0.187642
+C	 1.1955332225	 0.4511436801	 0.8626318268	 0.480448
+C	-0.3243230322	 0.2138503602	 0.7290661025	-0.352879
+C	-0.2613522719	 1.3273275704	-0.3324482492	-0.077596
+O	 1.1573008785	 1.497695923	-0.1301189376	-0.32087
+C	 1.9197893161	 0.8429926364	 2.1880795297	-0.377842
+H	 4.4726235097	-0.5088291978	 3.0473124276	 0.284995
+H	 2.8807659556	-2.4557829487	 1.6729739822	 0.115531
+H	 1.2974037716	-1.8145131365	 2.3316044884	 0.103014
+H	 2.653685003	-0.9041045767	-0.341153478	 0.099893
+H	-0.6060586709	-0.7755356329	 0.36404331	 0.112482
+H	-0.9104073564	 0.4505401688	 1.6190407544	 0.109359
+H	-0.4928764998	 1.0212273461	-1.3597516305	 0.10236
+H	-0.8189578049	 2.2425729642	-0.1012257496	 0.102589
+H	 2.3755491764	 1.8273260769	 2.0596079536	 0.126579
+H	 1.3460073595	 0.8149039537	 3.1216988664	 0.083287
+19
+0 1965	4.0587896	1.1200849	1.0370546	2.5291	75.09	-0.24299	0.07254	0.31553	1188.0574	0.156362	-422.499716	-422.491369	-422.490425	-422.532896	31.743
+O	-2.3193962514	 4.0328354395	 0.3680679594	-0.462598
+C	-1.9181724531	 2.7172543237	 0.2277996885	 0.413509
+C	-2.5194720651	 1.5941393535	 1.0214394599	-0.349322
+C	-1.0447681042	 1.9163621963	 1.180432947	-0.189545
+C	-0.2652524428	 1.3328272952	 0.0025628006	 0.322458
+C	 1.2725054978	 1.4357481016	-0.0355869389	-0.140107
+O	 1.4147035013	 0.0048498681	-0.1231029308	-0.275229
+C	-0.0155361215	-0.182116383	-0.1506971392	-0.131243
+C	-1.1384292532	 2.1762116437	-0.9782208983	-0.390545
+H	-3.2213325506	 4.1129149762	 0.0386795768	 0.286421
+H	-3.1348645706	 1.9190000734	 1.8545098901	 0.115935
+H	-2.8419879002	 0.6669898815	 0.5510850031	 0.105105
+H	-0.6239516936	 2.1934390424	 2.1399309149	 0.095969
+H	 1.6850324131	 1.9465413643	-0.9164463843	 0.096869
+H	 1.7465901518	 1.8438906388	 0.866887128	 0.10123
+H	-0.3512997829	-0.6231118539	-1.099038107	 0.095966
+H	-0.3666685238	-0.8082451529	 0.6796226176	 0.100916
+H	-0.5484825752	 2.9592141841	-1.4624466132	 0.112989
+H	-1.7085278758	 1.6321557675	-1.7401775541	 0.091225
+19
+0 1966	3.1304265	1.6251548	1.4497017	3.1611	73.48	-0.24429	0.07419	0.31848	979.3327	0.158031	-422.534544	-422.527183	-422.526239	-422.56582	29.785
+C	 0.0638576346	 0.3309067955	 0.1478287147	-0.470006
+C	 1.5532651366	 0.0972845679	 0.0803359459	 0.400241
+C	 2.2104331804	-0.6007164096	 1.2774562634	-0.284117
+C	 3.6601382081	-0.1296812251	 1.4398311507	 0.090856
+C	 3.8082365086	 1.4074627735	 1.319998566	-0.255752
+C	 3.8792853672	 1.0504356065	-0.1820605044	 0.044004
+O	 4.3418203057	-0.2751023991	 0.1618827137	-0.274791
+C	 2.4480175975	 0.9571895284	-0.7143633955	-0.018152
+O	 2.0399156863	-0.3119682091	-1.2123761558	-0.279714
+H	-0.1977357106	 0.9667763481	 1.000524131	 0.11756
+H	-0.2903854794	 0.8088004295	-0.7690234931	 0.127903
+H	-0.4697897304	-0.619379314	 0.2645752971	 0.127218
+H	 1.6443143925	-0.3778497466	 2.1900539881	 0.098846
+H	 2.1855488832	-1.6866220549	 1.1324577975	 0.121559
+H	 4.1842976888	-0.6458166583	 2.2484978553	 0.078413
+H	 2.9932169899	 2.0476233042	 1.6671595478	 0.098022
+H	 4.7653852581	 1.7542347477	 1.7117430568	 0.113425
+H	 4.5684770175	 1.5752704014	-0.8480487222	 0.080215
+H	 2.0567296353	 1.8259302638	-1.2449789068	 0.084269
+19
+0 1967	3.0243896	1.6383563	1.4629972	0.9869	73.65	-0.2395	0.07826	0.31776	964.3488	0.158803	-422.539131	-422.531901	-422.530957	-422.57017	30.05
+O	 0.5314477	 0.1647590253	 0.6333101461	-0.474957
+C	-0.8585984895	 0.3609575586	 0.604798615	 0.40838
+C	-1.6327101608	 0.020757339	 1.8577770554	-0.354448
+C	-1.6953413485	-0.8886617555	 0.6467798297	-0.079944
+C	-2.9154879219	-0.8195867627	-0.2563713398	 0.068736
+C	-2.4809609212	-0.4019940897	-1.6786451605	-0.251611
+C	-2.6224373035	 1.0110671231	-1.0685251504	 0.10417
+C	-1.3510445363	 1.4648686375	-0.3419037024	-0.307629
+O	-3.560285862	 0.4763071122	-0.0869053724	-0.296127
+H	 0.9181539694	 0.876926316	 1.1549614692	 0.278866
+H	-1.0477490346	-0.3293863284	 2.7011455825	 0.105566
+H	-2.5164219722	 0.6021960712	 2.0919058114	 0.128154
+H	-1.1705232429	-1.8374213115	 0.690486546	 0.095088
+H	-3.6183773205	-1.645004284	-0.1170020027	 0.076774
+H	-1.4990600738	-0.7254906629	-2.0301131383	 0.107196
+H	-3.2486778394	-0.5980916979	-2.4287963159	 0.107403
+H	-3.072438098	 1.8035879196	-1.6719700886	 0.075465
+H	-0.5615416014	 1.6596763981	-1.0761335653	 0.108626
+H	-1.5440007328	 2.4015360821	 0.195710851	 0.100294
+19
+0 1968	3.2673627	1.3673163	1.2622343	0.7341	74.1	-0.25641	0.07388	0.33029000000000003	1089.6644	0.155791	-422.546837	-422.538499	-422.537555	-422.579181	32.357
+C	 0.2005192687	-0.7379396044	-0.3272332881	-0.486471
+C	 1.5292375923	-0.0907571076	-0.0518542946	 0.433251
+C	 2.2501890903	-0.3372770464	 1.274212329	-0.355016
+C	 3.1189196957	 0.9050465034	 1.4765175458	 0.433251
+C	 4.3758379132	 0.828991908	 2.2978226925	-0.486468
+O	 2.3255270817	 2.0984729696	 1.6360323406	-0.302053
+C	 2.9179917691	 1.8333367528	 0.3529460396	-0.060806
+C	 1.9509133295	 1.2048690044	-0.6068727869	-0.060808
+O	 2.4475871356	-0.0252650969	-1.1615902042	-0.30205
+H	-0.5338630004	-0.4483361353	 0.4314063412	 0.128365
+H	-0.17481986	-0.445074076	-1.3107966541	 0.130501
+H	 0.2909142143	-1.8297586305	-0.3085397128	 0.127469
+H	 1.5408378463	-0.4514970535	 2.1012538306	 0.111293
+H	 2.8578829589	-1.247230469	 1.2201994364	 0.111294
+H	 4.1475521959	 0.5320036629	 3.327518713	 0.12747
+H	 5.0654533602	 0.0886653692	 1.8794109941	 0.128363
+H	 4.8766566315	 1.7997370789	 2.3275018432	 0.1305
+H	 3.6754840289	 2.5402121709	 0.0233653695	 0.095958
+H	 1.3229814883	 1.8032037495	-1.2624547647	 0.095959
+19
+0 1969	3.231747	1.4366584	1.1835289	1.0632	74.3	-0.25116	0.07016	0.32132	1085.4736	0.156325	-422.542787	-422.534584	-422.53364	-422.574817	32.67
+C	 0.0388202951	-0.4242639085	-0.304602699	-0.478829
+C	 1.3900436618	 0.0879058373	 0.1140925958	 0.413859
+C	 2.040040421	-0.4167306606	 1.4023793768	-0.369537
+C	 3.0183003689	 0.6780287677	 1.8560482883	 0.385701
+O	 3.0977691519	 0.9273265556	 3.2291682326	-0.464544
+C	 4.1884205601	 1.0399402672	 0.9856982531	-0.34723
+C	 2.9002272485	 1.8447333371	 0.9025151559	-0.108753
+C	 1.9215152904	 1.4364828755	-0.1710675135	-0.040647
+O	 2.3335361639	 0.3019990553	-0.9532462628	-0.296279
+H	-0.7058533387	-0.2474281492	 0.4784471924	 0.122639
+H	-0.2895091437	 0.0723833019	-1.2211988069	 0.129324
+H	 0.0729284746	-1.5023746387	-0.4977975303	 0.126568
+H	 1.2775967071	-0.5253821118	 2.1810828482	 0.112846
+H	 2.5148158464	-1.3937846182	 1.2583108451	 0.106394
+H	 3.76473096	 0.3399043425	 3.6006219794	 0.282844
+H	 5.0167172838	 1.5264681199	 1.4899728258	 0.107474
+H	 4.4444155218	 0.4108148269	 0.142034244	 0.133785
+H	 2.8894454104	 2.8642643189	 1.2671417827	 0.094039
+H	 1.3606604767	 2.1920018313	-0.7150767475	 0.090346
+19
+0 1970	3.1047834	1.4334155	1.1763748	2.4556	74.04	-0.23929	0.07199	0.31128	1079.499	0.1567	-422.536683	-422.528519	-422.527574	-422.568594	33.128
+O	-5.5388025149	-1.3307528994	 3.9702898491	-0.463503
+C	-4.2924584545	-0.9957164278	 3.4316508593	 0.403257
+C	-3.7356104187	-1.8479380991	 2.3232210888	-0.363596
+C	-4.2165260926	-0.43358382	 2.0330118925	-0.086113
+C	-3.2333192327	 0.7164484579	 2.0314146305	-0.086113
+C	-1.7609984643	 0.4617182404	 2.3200085589	-0.363587
+C	-2.6879161283	 0.8810887928	 3.4290390673	 0.40326
+O	-2.5500072708	 2.1652579737	 3.9653663759	-0.463503
+C	-3.3423154209	-0.1824891602	 4.3218529519	-0.383672
+H	-5.4371004238	-2.1468247877	 4.4719973545	 0.280523
+H	-2.6790156827	-2.0892811918	 2.2862148275	 0.108202
+H	-4.3877347326	-2.641847977	 1.974276042	 0.110944
+H	-5.118324188	-0.3324550095	 1.4413101186	 0.095319
+H	-3.4742285222	 1.5906114511	 1.4386416811	 0.095321
+H	-1.3583770589	-0.5445679514	 2.2840518424	 0.108196
+H	-1.0786069832	 1.2287870537	 1.9689156384	 0.110949
+H	-1.727691334	 2.1923095507	 4.4664612273	 0.28052
+H	-2.6145260678	-0.8039573196	 4.8577562519	 0.090429
+H	-3.952008069	 0.339776973	 5.064914302	 0.123166
+19
+0 1971	2.9608195	1.6813276	1.3314959	2.4664	74.4	-0.25083	0.07955	0.33038	1007.8152	0.157384	-422.526667	-422.518917	-422.517973	-422.5584	30.773
+C	 0.0192596921	 0.0696611165	-0.0971306528	-0.450586
+C	 1.517618339	-0.0848022826	 0.006507986	 0.408393
+C	 2.1833901217	-0.449391436	 1.3046956759	-0.339043
+C	 2.3686456574	 0.9386367369	 0.7215638327	-0.113005
+C	 3.6541516061	 1.3469718165	 0.06198277	 0.033972
+O	 4.5721584486	 0.3136913656	-0.3164327538	-0.248351
+C	 3.850382486	 0.9885028658	-1.3479984355	 0.037237
+C	 2.7554839015	 0.18715622	-2.0251944993	-0.129143
+O	 2.0928864291	-0.6864497036	-1.1303290642	-0.286961
+H	-0.3964595128	 0.4927891537	 0.8222903957	 0.113944
+H	-0.2538506415	 0.7303292242	-0.927574333	 0.116017
+H	-0.4511832677	-0.9035702486	-0.270942571	 0.128526
+H	 1.5750629072	-0.5493519387	 2.1967821834	 0.108202
+H	 3.0311927606	-1.119575875	 1.2296171756	 0.139448
+H	 1.8488724345	 1.7565406586	 1.2120825022	 0.08612
+H	 4.1313612276	 2.2421952259	 0.4584032049	 0.092363
+H	 4.4480433215	 1.6232732232	-2.0027849197	 0.091008
+H	 2.0578507806	 0.8915228489	-2.5103854599	 0.092492
+H	 3.1735050384	-0.4561914514	-2.8061445173	 0.119366
+19
+0 1972	2.9511457	1.5543447	1.3361172	0.5627	73.71	-0.25813	0.06597	0.32410000000000005	1029.3617	0.157646	-422.54461	-422.536798	-422.535854	-422.576452	30.754
+C	 0.0398955723	 0.2421570126	 0.0933541174	-0.467841
+C	 1.5384428949	 0.0518677032	 0.0606101116	 0.405697
+C	 2.1510385598	-0.5726615792	 1.3050807088	-0.278277
+C	 3.651451516	-0.8635312283	 1.1760778881	-0.255552
+C	 4.4275780752	 0.3026390681	 0.6026802817	 0.063393
+O	 4.0214803905	 1.6229234352	 0.9794393704	-0.262662
+C	 3.7962690427	 1.1908058599	-0.3778688066	 0.027904
+C	 2.3732340649	 0.9360452463	-0.7658866288	-0.035375
+O	 2.0629807847	-0.4053747679	-1.1978048243	-0.298216
+H	-0.2524457766	 0.8792061083	 0.9347805917	 0.125849
+H	-0.3136259308	 0.7014481503	-0.8329598929	 0.12698
+H	-0.4652869168	-0.7228569643	 0.2111184276	 0.125103
+H	 1.9791171324	 0.1169518792	 2.1387614146	 0.122275
+H	 1.6161557967	-1.4993061832	 1.545641243	 0.101326
+H	 4.0595941215	-1.1351936649	 2.1562915302	 0.105386
+H	 3.8125368025	-1.721440113	 0.5138194507	 0.123676
+H	 5.5087752623	 0.1706607808	 0.5487694256	 0.091551
+H	 4.416685219	 1.7026549092	-1.1123630987	 0.092344
+H	 1.8874343288	 1.7122144077	-1.35713364	 0.086439
+19
+0 1973	2.9370547	1.5802858	1.3569028	2.3461	74.02	-0.23541	0.0832	0.31861	1021.7464	0.157424	-422.527784	-422.519926	-422.518982	-422.559673	30.98
+C	 0.0411797782	 0.2737378613	 0.1729416471	-0.468221
+C	 1.5391317333	 0.0901844726	 0.0920569142	 0.36211
+C	 2.1541594667	-0.6527315823	 1.2707673389	-0.147216
+O	 3.5524814458	-0.8238826865	 1.2068383712	-0.251002
+C	 4.3112778412	 0.2777688678	 0.8043728823	 0.144654
+C	 4.0343390424	 1.6991741084	 1.2141674833	-0.347412
+C	 3.8002369901	 1.2399132615	-0.2268350651	-0.106191
+C	 2.3861395043	 1.0367966787	-0.6490530686	-0.010631
+O	 2.0516768193	-0.2565893431	-1.1963955367	-0.295721
+H	-0.2430516253	 0.8409125022	 1.0657028748	 0.121465
+H	-0.3214941648	 0.8065108016	-0.7091833831	 0.132713
+H	-0.4648237916	-0.697270248	 0.2153441767	 0.128325
+H	 1.8618630727	-0.1286891264	 2.1962300964	 0.094988
+H	 1.7381009521	-1.6647275592	 1.3249208563	 0.119034
+H	 5.3500714805	-0.0264404808	 0.7444242897	 0.106807
+H	 3.1531778559	 1.9193877247	 1.8063438312	 0.118976
+H	 4.883177494	 2.3402240323	 1.4250553719	 0.117276
+H	 4.483810934	 1.5871893059	-0.9955058041	 0.094186
+H	 1.9035222212	 1.8678012094	-1.1650000163	 0.085861
+19
+0 1974	2.8508005	1.5774022	1.3790478	0.7277	74.16	-0.23059	0.07339	0.30398	1006.7134	0.158146	-422.52867	-422.521001	-422.520057	-422.560182	31.229
+O	 0.2964536072	-0.4577206371	 0.4539237642	-0.464383
+C	-1.0235299934	-0.0192437559	 0.6313327016	 0.358474
+C	-1.4535576918	 0.4407476769	 1.9975660051	-0.355431
+C	-1.9002590523	-0.9141359643	 1.4553452629	-0.078356
+C	-3.3202118565	-1.0939841323	 1.0215421018	-0.07223
+C	-3.5831617732	-1.6189987959	-0.3889510874	-0.350116
+C	-3.8050617046	-0.1675158016	-0.0576656472	 0.131332
+O	-2.9993249006	 0.8833349334	-0.5214510465	-0.254797
+C	-1.616594612	 0.6065761894	-0.6233948272	-0.157402
+H	 0.871428992	 0.3156568542	 0.4782617625	 0.283146
+H	-0.6966318703	 0.4407815173	 2.7741318158	 0.109778
+H	-2.1967822032	 1.2279378255	 2.0657251544	 0.123632
+H	-1.4022345034	-1.7814566677	 1.87933729	 0.096406
+H	-4.0236323482	-1.3697586404	 1.8025974121	 0.085922
+H	-2.7155828888	-1.9056852376	-0.9719014401	 0.12602
+H	-4.460710188	-2.2312556221	-0.5663138659	 0.112034
+H	-4.8297533381	 0.1844144839	-0.0166288086	 0.101114
+H	-1.4024499708	-0.0600811027	-1.4725182534	 0.104016
+H	-1.1406706839	 1.5715707973	-0.8347295342	 0.100843
+19
+0 1975	2.8578575	1.5443615	1.3332859	1.0288	73.82	-0.25094	0.08058	0.33152	1021.1756	0.158349	-422.54588	-422.538245	-422.537301	-422.577419	30.948
+O	 0.3819603657	-0.0389414941	 0.6268597358	-0.476104
+C	-0.9975934825	 0.216390214	 0.6130304214	 0.432614
+C	-1.5503117406	 0.565710908	 1.9585133747	-0.333376
+C	-1.8903112706	-0.7776596835	 1.3166259427	-0.134017
+C	-3.2627382435	-0.9956275538	 0.776852695	 0.050211
+O	-3.3669579971	-1.3828261491	-0.6107096997	-0.270953
+C	-3.8127650263	-0.0785736522	-0.2305758741	 0.058963
+C	-3.0052246413	 1.1058811244	-0.7185139389	-0.268275
+C	-1.4897322217	 0.8624983082	-0.6709955838	-0.275456
+H	 0.5638752605	-0.6950629611	-0.0559214115	 0.279933
+H	-0.8453113342	 0.5547188058	 2.7812592229	 0.124508
+H	-2.3358181189	 1.3089838385	 2.0381804747	 0.112929
+H	-1.3956373424	-1.6462155282	 1.7410487874	 0.091151
+H	-3.9598428025	-1.5257489097	 1.4262439903	 0.089155
+H	-4.895713937	 0.0501486163	-0.271115271	 0.086211
+H	-3.3016696512	 1.3547548368	-1.7441135273	 0.110634
+H	-3.2776740527	 1.9743485188	-0.1049932901	 0.109735
+H	-1.2163440211	 0.196038106	-1.4987696787	 0.105835
+H	-0.9512169027	 1.803281145	-0.8301461	 0.106303
+19
+0 1976	2.3120376	2.070044	1.5170324	0.9793	73.67	-0.24028	0.07702	0.3173	950.4701	0.157012	-422.518168	-422.510377	-422.509433	-422.549696	31.849
+C	 0.081594421	 0.3732212043	 0.2558500217	-0.494361
+C	 1.5628779844	 0.158401509	 0.1316270506	 0.306569
+C	 2.4738754792	 0.8938356663	-0.8813283479	-0.287015
+C	 3.2694205359	-0.4044752034	-0.6554405035	 0.068415
+O	 1.9714159954	-1.1033266698	-0.5418663554	-0.34621
+C	 3.7321885648	-0.3651062868	 0.8107447162	-0.135842
+C	 3.6014128141	 0.9108186126	 1.6335680305	-0.355639
+C	 2.4076025209	 0.0375009901	 1.4318489531	 0.421859
+O	 1.8299969767	-0.5854580848	 2.5305180522	-0.467706
+H	-0.3585995677	-0.3505596782	 0.9473342315	 0.12579
+H	-0.1175395623	 1.3740420635	 0.6525497577	 0.128623
+H	-0.4067857394	 0.276019224	-0.7167502425	 0.126092
+H	 2.0116991926	 0.9014002079	-1.8688305594	 0.110708
+H	 2.9046277203	 1.8682190252	-0.6484540587	 0.097031
+H	 3.93195435	-0.8396790037	-1.4024816961	 0.079364
+H	 4.3156219542	-1.1875508269	 1.2065025454	 0.096268
+H	 4.0376058667	 0.8409788299	 2.6255906185	 0.123634
+H	 3.6812960844	 1.89609693	 1.1893803944	 0.115029
+H	 1.6048539088	-1.4836763193	 2.2580586914	 0.287391
+19
+0 1977	2.3281186	2.045443	1.5178062	3.1005	73.83	-0.2382	0.07774	0.31594	960.5849	0.15589	-422.513407	-422.50538	-422.504435	-422.545278	31.769
+C	 0.8018184593	-2.7443634387	 1.5875739001	-0.503542
+C	 1.06072519	-1.3019544313	 1.899064428	 0.393685
+O	 0.5601526634	-0.7704467022	 3.1341646442	-0.277999
+C	 1.9691032048	-0.7247185211	 2.8890848157	-0.049054
+C	 2.4157893256	 0.5489386889	 2.1145033018	 0.015846
+C	 2.7426512173	-0.0501951549	 0.7200364848	-0.275576
+C	 1.1875003313	-0.1989890919	 0.78320446	 0.330945
+C	 0.2675887066	-0.2125061199	-0.403627408	-0.512051
+O	 1.1639729839	 1.0295463409	 1.5682971536	-0.292654
+H	 0.9416167929	-3.3601413689	 2.4795322233	 0.134581
+H	-0.2244005729	-2.8903060626	 1.2324437153	 0.131811
+H	 1.4790742654	-3.1050698415	 0.8056672734	 0.123126
+H	 2.6167396651	-1.2741892007	 3.5642725277	 0.098426
+H	 3.0149400044	 1.3092406389	 2.6134424285	 0.086068
+H	 3.0607962901	 0.7047394858	-0.0016991012	 0.10865
+H	 3.3617449861	-0.9509086998	 0.661093253	 0.094257
+H	 0.3718274496	-1.1470977268	-0.9639448203	 0.123093
+H	-0.7731940468	-0.1241295125	-0.0757249248	 0.140276
+H	 0.4888866237	 0.6208237682	-1.0757925952	 0.130112
+19
+0 1978	2.2728461	2.0959087	1.5049179	2.4784	73.78	-0.24675	0.06849	0.31523999999999996	952.6547	0.156987	-422.527567	-422.519749	-422.518804	-422.559124	31.745
+C	-0.0291667779	 0.1832774689	-0.0462496973	-0.491676
+C	 1.4597871133	 0.062360097	 0.0571716144	 0.401431
+O	 2.2180914528	-0.0103663003	-1.1679654725	-0.304498
+C	 2.492488144	 1.0536365183	-0.2398572114	-0.026073
+C	 3.5482627874	 0.7346350466	 0.8441344445	-0.084588
+C	 2.6048365521	 0.5836527316	 2.0860263319	-0.288227
+C	 2.1217103816	-0.6684966927	 1.2580086153	 0.336638
+O	 1.3412425182	-1.6981440776	 1.7718532714	-0.491367
+C	 3.6006161008	-0.8197810558	 0.8101943617	-0.283259
+H	-0.4546748862	 0.5476555511	 0.8940270895	 0.126059
+H	-0.3019358369	 0.8705801455	-0.8507570854	 0.125213
+H	-0.478112869	-0.7933307477	-0.2526669984	 0.139662
+H	 2.3110483576	 2.0626881678	-0.5963638654	 0.096695
+H	 4.4541718172	 1.33611901	 0.8802672737	 0.071153
+H	 3.136405522	 0.3163744884	 3.0046650063	 0.088471
+H	 1.8810384543	 1.3803952735	 2.2821178799	 0.096011
+H	 1.8045821554	-2.0918745009	 2.5178387304	 0.281505
+H	 4.2275976645	-1.2124301715	 1.6148534544	 0.08399
+H	 3.8072560189	-1.3135008722	-0.136735703	 0.122859
+19
+0 1979	2.243092	2.1030074	1.5366326	1.9877	74.	-0.23245	0.06496	0.29741	940.6718	0.157623	-422.527801	-422.520035	-422.519091	-422.559221	32.038
+O	-1.5853699009	 2.2540324267	-0.8744174153	-0.482984
+C	-1.4067722524	 2.1085561181	 0.4969441367	 0.421248
+C	-1.2448830851	 3.3002015781	 1.4054738987	-0.386006
+C	-2.4890034456	 2.4221481258	 1.4882832404	-0.094456
+C	-2.4763099036	 1.1150009662	 2.3136216864	-0.044712
+C	-2.4214217661	 0.0566292162	 1.157183156	-0.286642
+C	-0.9978634589	 0.7020658052	 0.9768027525	 0.339459
+O	 0.0284754295	 0.1748309762	 0.1938415296	-0.502963
+C	-0.9653964774	 0.8087686158	 2.5239523792	-0.303454
+H	-0.7660694138	 1.9572403454	-1.2887844524	 0.289505
+H	-0.5114089008	 3.3507223305	 2.2018258276	 0.109074
+H	-1.4147241823	 4.2477992957	 0.9038664237	 0.115835
+H	-3.4401844621	 2.834638181	 1.1725717126	 0.096663
+H	-3.1815438933	 1.0232132192	 3.1378370081	 0.068141
+H	-2.3895574783	-0.9775785618	 1.5152850768	 0.080407
+H	-3.1256312723	 0.1652721521	 0.329541809	 0.108521
+H	 0.1416147408	-0.7553109575	 0.4112683153	 0.284125
+H	-0.8214866018	-0.1703620669	 2.9886851514	 0.088597
+H	-0.3179731755	 1.5407333343	 3.0064568937	 0.09964
+19
+0 1980	3.111308	1.5194779	1.3585425	0.931	74.27	-0.23227	0.07127	0.30354000000000003	1024.2395	0.157422	-422.528928	-422.521154	-422.52021	-422.561203	30.234
+C	 0.17280286	-0.3871616039	-0.0649213428	-0.465436
+C	 1.4653355956	 0.3425814718	 0.1607313887	 0.442263
+C	 1.7366137072	 1.7315835739	-0.3629120917	-0.353317
+C	 2.5549795232	 0.5463349546	-0.8519735636	-0.139575
+C	 3.8638122735	 0.3086107448	-0.1374522108	 0.093112
+O	 4.3805710866	-1.0285943453	-0.3231600174	-0.297542
+C	 4.032575881	-1.4062899865	 1.0286944788	-0.09735
+C	 3.4488312233	-0.0055198143	 1.3202998227	 0.042271
+O	 2.0393921902	 0.0693220413	 1.433002304	-0.311057
+H	-0.5600707692	-0.1176676763	 0.7025844928	 0.129939
+H	-0.2483034606	-0.1311693627	-1.0411614331	 0.118717
+H	 0.3245773131	-1.4705302811	-0.0248554951	 0.125245
+H	 1.0329369644	 2.1694802304	-1.063193748	 0.1143
+H	 2.2033506029	 2.4415193561	 0.3130647261	 0.1143
+H	 2.4638424563	 0.2116572866	-1.87906241	 0.101983
+H	 4.6325327805	 1.0662791666	-0.3259704478	 0.081236
+H	 3.2953146342	-2.2160025203	 1.067179517	 0.108414
+H	 4.919532844	-1.6832097944	 1.6110554494	 0.102315
+H	 3.9077197739	 0.5513969287	 2.1389667108	 0.09018
+19
+0 1981	3.6428159	1.4543162	1.2738673	3.1236	73.77	-0.23706	0.06544	0.3025	1041.6162	0.157895	-422.536099	-422.528487	-422.527543	-422.56784	29.911
+C	-0.0069720514	 0.0622460455	 0.0300866764	-0.483917
+C	 1.4917473891	 0.0939268223	-0.0992143028	 0.410247
+C	 2.1621201282	-0.26736851	-1.4225474066	-0.306934
+C	 3.5841800913	 0.3150237577	-1.3393688205	-0.079891
+C	 4.7162194271	-0.4574831339	-0.6210958787	-0.076965
+O	 4.8241053191	 0.5575464269	 0.4050352339	-0.28893
+C	 3.6625529979	 1.2455939908	-0.0995454535	 0.105203
+C	 2.3866292281	 0.9783776018	 0.680530438	-0.048618
+O	 2.2361509105	-0.4064388214	 1.0211542815	-0.28187
+H	-0.3115216003	 0.3512652422	 1.0388473178	 0.132676
+H	-0.4758159378	 0.7423315592	-0.6888921102	 0.121527
+H	-0.3896343014	-0.9459454427	-0.1639785537	 0.129088
+H	 2.1566623738	-1.3519360293	-1.5810108416	 0.112385
+H	 1.605166092	 0.1825280512	-2.2524228356	 0.102242
+H	 3.9070459707	 0.7634134859	-2.279383601	 0.08324
+H	 4.4211037574	-1.4263366584	-0.2047576102	 0.111267
+H	 5.6539893783	-0.5621685494	-1.1790145851	 0.096145
+H	 3.8457673652	 2.3170712874	-0.2381359317	 0.07207
+H	 2.0185954622	 1.6824562642	 1.4235698937	 0.091036
+19
+0 1982	3.2193602	1.4409541	1.2947627	0.8329	74.02	-0.24634	0.07825	0.32459	1050.4557	0.157684	-422.541284	-422.533531	-422.532587	-422.573459	30.024
+C	-0.0484800171	-0.0222963203	-0.1198912169	-0.486707
+C	 1.4552500402	-0.0249135221	-0.1032009559	 0.418601
+C	 2.2402291144	 1.2807800762	-0.1979631737	-0.300637
+C	 3.5718532702	 0.89882472	-0.8598822238	 0.134406
+O	 3.5253190297	 1.0587250447	-2.3013492741	-0.294006
+C	 3.7701329728	-0.3451007285	-2.5207658407	-0.08913
+C	 3.6509088073	-0.6472324001	-1.015873708	-0.111829
+C	 2.2983168322	-1.1441536827	-0.5656304496	-0.032036
+O	 2.077534705	-0.9300163761	 0.8328597554	-0.304634
+H	-0.4428564194	 0.5628063546	 0.7182895956	 0.128651
+H	-0.4242308477	 0.4244941165	-1.0462277543	 0.126288
+H	-0.4377712212	-1.0400059631	-0.035602096	 0.129055
+H	 1.729980758	 2.0223387886	-0.8204726193	 0.115656
+H	 2.3795070081	 1.7077989305	 0.8007691736	 0.1092
+H	 4.4421107718	 1.4108272828	-0.4363116026	 0.076061
+H	 3.0168066781	-0.7991845635	-3.1771319261	 0.099826
+H	 4.7662442691	-0.5249490349	-2.9450515313	 0.100392
+H	 4.4788567262	-1.1807290529	-0.5466125786	 0.089731
+H	 1.8808048724	-2.0638552796	-0.9732645334	 0.09111
+19
+0 1983	3.1290495	1.4387845	1.2992603	2.3157	74.14	-0.24197	0.07742	0.31939	1041.9641	0.158176	-422.536963	-422.529269	-422.528324	-422.569098	30.355
+O	 0.4788645828	 0.2021415767	 0.7287846599	-0.469405
+C	-0.8081815486	 0.6338598153	 0.405721268	 0.409376
+C	-1.993744107	-0.1606556757	 0.8951183509	-0.360709
+C	-1.6813126408	 1.1973730416	 1.4988809433	-0.087306
+C	-2.4645187452	 2.374140987	 0.9625167311	-0.091704
+C	-1.8266092106	 3.7615145762	 1.1735192355	-0.085931
+O	-1.3418944858	 3.7993473127	-0.1838537978	-0.289512
+C	-2.004946709	 2.5566514556	-0.5166746445	 0.138112
+C	-1.0093519607	 1.4413220758	-0.878884258	-0.319988
+H	 0.6798887074	-0.5691724418	 0.18773399	 0.28194
+H	-2.8657234459	-0.2675101007	 0.2549183166	 0.104838
+H	-1.7748199858	-1.0219496305	 1.5167260472	 0.11336
+H	-1.3166488122	 1.2192945685	 2.520276483	 0.096529
+H	-3.5381451777	 2.3131373903	 1.1543938046	 0.076563
+H	-2.5392348616	 4.5722418278	 1.3727223552	 0.095328
+H	-1.0111332304	 3.8131545363	 1.90548562	 0.103353
+H	-2.7794812738	 2.7176416514	-1.2748675241	 0.070286
+H	-1.3705914001	 0.8214646458	-1.7080534171	 0.090252
+H	-0.0623964851	 1.8976621975	-1.1803891836	 0.124618
+19
+0 1984	3.180822	1.4177963	1.2879748	2.925	73.89	-0.24382	0.07596	0.31978	1048.0956	0.158237	-422.536706	-422.528994	-422.52805	-422.568992	30.321
+O	 0.4725385616	 0.2151507054	 0.7524570703	-0.471133
+C	-0.7981740475	 0.6809807492	 0.4145524704	 0.417851
+C	-2.011622279	-0.0895699526	 0.8734329193	-0.359262
+C	-1.6783315407	 1.2580212983	 1.4890929328	-0.109613
+C	-2.4411915706	 2.4255353775	 0.9193441311	 0.131818
+O	-1.854197435	 3.7107441713	 1.224486792	-0.29606
+C	-1.557654337	 3.9546636694	-0.1646846004	-0.0768
+C	-2.0459400608	 2.5492223437	-0.583232234	-0.081446
+C	-0.9469218667	 1.5010621612	-0.8700787526	-0.316605
+H	 0.6545730503	-0.5688007693	 0.2230578903	 0.281918
+H	-2.8731451437	-0.1756694545	 0.2160298285	 0.105604
+H	-1.8264150416	-0.9574518501	 1.4966321298	 0.115106
+H	-1.3510391111	 1.2934433524	 2.521613482	 0.105187
+H	-3.5103361606	 2.4141409463	 1.1660429673	 0.073308
+H	-2.1498057121	 4.7884536038	-0.5637521118	 0.097499
+H	-0.4929243363	 4.161195211	-0.3313101399	 0.102566
+H	-2.8550559491	 2.5402310075	-1.3134136419	 0.076569
+H	-1.1954050227	 0.8732589404	-1.7336048386	 0.093417
+H	 0.0132868627	 1.9818966989	-1.0845914247	 0.110076
+19
+0 1985	2.348792	1.7078175	1.5312266	0.762	74.74	-0.2421	0.06175	0.30385	993.6998	0.156366	-422.51598	-422.507718	-422.506774	-422.548178	32.284
+C	-0.0433901196	 0.3066487428	 0.008854203	-0.514152
+C	 1.4212156594	-0.0267576676	 0.0491769063	 0.342484
+C	 2.4175374563	 0.510632915	-0.9447119538	-0.347045
+C	 2.2650634164	-0.9811548932	-0.8230158075	-0.116509
+C	 3.046196387	-1.4547519604	 0.3846430726	 0.032111
+O	 2.4476112441	-2.5966992597	 1.030941705	-0.291688
+C	 1.6733509463	-1.7774273414	 1.9255394714	-0.147094
+C	 2.1883725691	-0.4702871865	 1.2850293108	 0.274313
+O	 2.6168341021	 0.5641520959	 2.1118913699	-0.47917
+H	-0.2444307048	 1.253752331	 0.5223744509	 0.130879
+H	-0.3927906813	 0.4097449818	-1.0233942374	 0.120214
+H	-0.6518618624	-0.4684472367	 0.4880535697	 0.118985
+H	 1.9809572791	 0.9480797218	-1.836822279	 0.112229
+H	 3.3242057137	 1.0052427215	-0.6067050738	 0.117237
+H	 1.9308431932	-1.6123303226	-1.6374367571	 0.094823
+H	 4.1368454182	-1.5228607952	 0.340707409	 0.077195
+H	 0.5971612911	-1.9809578271	 1.8705572577	 0.106215
+H	 2.0014264969	-1.9023034104	 2.96917969	 0.086595
+H	 3.0960168453	 0.1881657309	 2.8584501922	 0.282377
+19
+0 1986	2.4522809	1.8716041	1.3633206	1.805	74.16	-0.24238	0.06822	0.3106	995.2948	0.156045	-422.499162	-422.490916	-422.489971	-422.531249	32.49
+C	 0.0335168702	 0.0181027837	 0.2492501497	-0.483344
+C	 1.5397038045	 0.0963387521	 0.172269001	 0.211947
+C	 2.219811129	 0.8641742487	-0.985500789	-0.149652
+O	 3.0551235472	 1.6031041148	-0.057641512	-0.300088
+C	 2.3961804641	 0.9981870079	 1.0865801243	 0.07333
+C	 3.081815866	-0.2284399495	 1.7193778364	-0.121403
+C	 3.7933179495	-1.0269219779	 0.6490514496	-0.366612
+C	 2.3022034363	-1.1316698556	 0.7614823326	 0.334314
+O	 1.6639634789	-2.3233286397	 1.0610725837	-0.454487
+H	-0.2924536639	-0.3176089394	 1.2382876759	 0.131437
+H	-0.4195163566	 0.9939700925	 0.0467548945	 0.115433
+H	-0.3619846908	-0.6977440319	-0.4802389798	 0.117299
+H	 2.8078030354	 0.2845619559	-1.7076338819	 0.095384
+H	 1.5443350151	 1.5376149786	-1.5290122792	 0.097295
+H	 1.9761292751	 1.7376214437	 1.7730733214	 0.075825
+H	 3.3119070899	-0.3520163332	 2.7704906105	 0.092314
+H	 4.290892917	-0.5154033499	-0.1674221051	 0.130681
+H	 4.3144607663	-1.8988981132	 1.0321935007	 0.112371
+H	 1.8565664667	-2.9577686773	 0.3620544668	 0.287957
+19
+0 1987	2.4749563	1.8427349	1.3843523	1.2081	74.47	-0.2391	0.06672	0.30582	1001.8032	0.155371	-422.505755	-422.497302	-422.496357	-422.538095	32.974
+C	 0.0252252065	 0.302988918	 0.2104410306	-0.523956
+C	 1.4919600599	 0.0254413655	 0.2058690484	 0.355637
+O	 2.2575136425	 0.3141730477	-0.9701472579	-0.283079
+C	 2.6938653559	 0.8794152738	 0.281197503	-0.061257
+C	 3.4999892921	-0.2017077161	 1.0376896577	-0.1008
+C	 4.288504135	-1.2240685274	 0.1652291629	-0.220693
+C	 3.0342009423	-2.1552095761	 0.1179778231	-0.294183
+C	 2.2451618067	-1.1184351466	 0.9725304726	 0.338174
+O	 1.6516097309	-1.5173950035	 2.1742645818	-0.477668
+H	-0.3654934101	 0.2405682131	 1.2305303652	 0.133086
+H	-0.1787960531	 1.3012928031	-0.1858662887	 0.136175
+H	-0.5144728119	-0.42328557	-0.4092167141	 0.12549
+H	 2.8030051872	 1.9587874871	 0.3085030165	 0.098832
+H	 3.9042646315	 0.1005591634	 2.0030892884	 0.081066
+H	 4.6087286392	-0.840505549	-0.8039881445	 0.11287
+H	 5.1452864599	-1.663534645	 0.6796779074	 0.09904
+H	 2.6329609074	-2.3626825582	-0.8756916896	 0.103224
+H	 3.1706410804	-3.0924040297	 0.6636243234	 0.098217
+H	 0.9200178579	-2.1101764999	 1.966577444	 0.279826
+19
+0 1988	2.4825784	1.8882153	1.3951249	2.8126	74.6	-0.23677	0.06318	0.29995	998.8925	0.155291	-422.499173	-422.490833	-422.489889	-422.53142	32.312
+C	 2.7151706461	-1.3813796783	 0.4866707323	-0.518118
+C	 2.3991858114	 0.0782899054	 0.5475648696	 0.37411
+O	 3.1236615216	 0.8772746989	 1.4888143032	-0.27149
+C	 3.1228617491	 1.299478436	 0.12258027	-0.067078
+C	 1.810037557	 2.0772966134	-0.1246082585	-0.185936
+C	 1.1486534482	 2.7069163412	 1.1204583753	-0.089639
+O	 0.4638991726	 1.4683029344	 1.4406898686	-0.324232
+C	 1.0238300032	 0.8051354936	 0.2894462114	 0.394816
+C	 0.0080063201	 0.0861053256	-0.5578170124	-0.487992
+H	 2.2777235096	-1.9059249419	 1.3436061107	 0.138295
+H	 2.318113579	-1.8364731701	-0.4257701585	 0.12462
+H	 3.7974918331	-1.5349018836	 0.5121240574	 0.135212
+H	 4.0875340183	 1.4261806156	-0.3572435893	 0.102544
+H	 1.6856901336	 2.5486201677	-1.0982082729	 0.083045
+H	 1.8249803325	 3.0198670215	 1.9203664576	 0.115675
+H	 0.4313471379	 3.5049712461	 0.8964838817	 0.096821
+H	-0.4363079111	-0.7432524448	 0.0039957817	 0.132337
+H	-0.7961127647	 0.7655316192	-0.8535237605	 0.127539
+H	 0.4693684124	-0.3238491398	-1.4624077875	 0.119472
+19
+0 1989	2.4885485	1.8557645	1.36678	3.1625	74.3	-0.2391	0.05621	0.29531	1006.4213	0.15541	-422.494578	-422.486265	-422.485321	-422.52682	32.169
+C	 2.8907820761	-1.2842763847	 0.2818048317	-0.511504
+C	 2.4868058303	 0.1524286497	 0.3649437284	 0.35739
+O	 3.3138885097	 1.0400233229	 1.1213638669	-0.266333
+C	 3.0345698165	 1.3914231579	-0.2382400617	-0.076892
+C	 1.6214996491	 2.0371085346	-0.2686356837	 0.045852
+O	 1.2702631149	 2.8387350497	 0.8672184263	-0.285704
+C	 0.715040793	 1.6904305644	 1.560066921	-0.12211
+C	 1.0380078929	 0.7513479707	 0.3682465467	 0.210161
+C	-0.0606452847	-0.0688134196	-0.2660481089	-0.501202
+H	 2.6669655814	-1.8057016131	 1.2197053532	 0.132332
+H	 2.359998948	-1.7998614657	-0.5241296454	 0.126832
+H	 3.9658996477	-1.3623411282	 0.0998858596	 0.137812
+H	 3.8888402076	 1.5624866834	-0.8856302873	 0.101638
+H	 1.2939904772	 2.4473394398	-1.228382326	 0.075301
+H	 1.2377232112	 1.487496618	 2.4986998084	 0.112781
+H	-0.3582319523	 1.824864921	 1.7442004773	 0.093374
+H	-0.3318687945	-0.9258403084	 0.3618465975	 0.123438
+H	-0.9622114783	 0.5334946289	-0.4166433792	 0.126781
+H	 0.2449739942	-0.4596631813	-1.2431112346	 0.120054
+19
+0 1990	2.4870314	1.8692196	1.3798997	2.5972	74.22	-0.2296	0.06166	0.29126	991.8644	0.15617	-422.502945	-422.494788	-422.493844	-422.534896	32.45
+C	 0.0737605064	-0.0741380937	 0.1870505435	-0.488694
+C	 1.5748973351	 0.032837792	 0.1279414096	 0.371346
+O	 2.0521204888	 0.8306451961	-0.9958551008	-0.334996
+C	 2.8215460023	 1.6884682956	-0.1141913016	-0.116405
+C	 2.4598047392	 0.8280261907	 1.1144357307	-0.115306
+C	 3.2802800993	-0.4438631136	 1.406696887	-0.16973
+C	 3.8301400457	-1.0674421786	 0.1358728599	-0.324745
+C	 2.3899998273	-1.2568879311	 0.4361464887	 0.353975
+O	 1.8674860463	-2.5343070117	 0.4979289098	-0.450417
+H	-0.2513138779	-0.5658291728	 1.1114495907	 0.105515
+H	-0.3851701774	 0.9172636083	 0.1483161652	 0.128061
+H	-0.2990008698	-0.6614246577	-0.6588393074	 0.140636
+H	 3.8785645845	 1.7403737291	-0.3987620445	 0.102977
+H	 2.4052722089	 2.7028356301	-0.0906256023	 0.100357
+H	 2.0365900298	 1.3267795046	 1.9860420756	 0.07556
+H	 3.6896649256	-0.7066858893	 2.3744846068	 0.090598
+H	 4.1516642166	-0.4718566641	-0.7117409344	 0.128806
+H	 4.4230639723	-1.9583863964	 0.3166639715	 0.117808
+H	 1.1395790069	-2.5395939573	 1.1291114521	 0.284654
+19
+0 1991	2.4808004	1.8452553	1.3643493	1.9582	74.21	-0.22189	0.05925	0.28114	994.307	0.156569	-422.508087	-422.500052	-422.499108	-422.53983	32.701
+O	 1.3244327282	-1.4084295153	 2.418476592	-0.466335
+C	 0.402970034	-0.3895098389	 2.2038648763	 0.302104
+C	-1.0380722828	-0.4585004258	 2.5860791327	-0.363739
+C	-0.1471151272	 0.6067928709	 3.2089463637	-0.122004
+C	 0.1515971382	 1.7803548419	 2.2430316515	-0.080967
+C	-0.9249666788	 2.1991400637	 1.1963766799	-0.244905
+C	-0.3014521686	 1.2125857668	 0.1531528676	-0.299201
+C	 0.7405607443	 0.7609610849	 1.2098861756	 0.386336
+O	 2.0690915352	 0.739552801	 0.7981178821	-0.491243
+H	 1.08229317	-2.162449139	 1.867820904	 0.29247
+H	-1.8366373121	-0.2151563909	 1.8916556741	 0.114896
+H	-1.274640629	-1.2705474609	 3.2676915052	 0.115639
+H	-0.0198074461	 0.6384340494	 4.2843403976	 0.094792
+H	 0.7809258182	 2.5645006306	 2.6634016094	 0.073333
+H	-1.9608201579	 1.9988865035	 1.4802807437	 0.099431
+H	-0.8529782257	 3.2469828536	 0.8980865163	 0.102522
+H	-0.9571906493	 0.438966878	-0.2580266644	 0.090214
+H	 0.1922817678	 1.726267562	-0.6751650938	 0.111921
+H	 2.5005990818	 0.0253781745	 1.2867853365	 0.284735
+19
+0 1992	2.7657331	1.9297837	1.5747741	1.7201	73.15	-0.25	0.0913	0.3413	924.8166	0.159347	-422.556055	-422.548961	-422.548016	-422.587055	29.017
+C	-0.2317030501	-1.4226087436	-0.2870112	-0.489071
+C	 1.1646615664	-0.8595629177	-0.3348509462	 0.333219
+C	 1.7508876402	-0.2177809668	-1.5679999824	-0.360043
+C	 2.3407813431	-1.5071357548	-1.0532097548	-0.091111
+C	 3.457739858	-1.3838049768	-0.0156071736	 0.013764
+C	 3.1023503558	-2.3419430174	 1.1467513445	-0.080817
+O	 1.989950183	-1.6618212947	 1.760089469	-0.272008
+C	 1.8435812538	-0.4657983778	 0.9847383303	 0.115855
+O	 3.1649825406	-0.125500351	 0.6176562211	-0.248466
+H	-0.3081870563	-2.192359781	 0.4869962482	 0.133902
+H	-0.9687835755	-0.6427767774	-0.0608480785	 0.11783
+H	-0.511417564	-1.8700462387	-1.2456694139	 0.115076
+H	 1.1530010925	-0.2981044155	-2.4699806451	 0.109426
+H	 2.3244204226	 0.6973804895	-1.4783711144	 0.123916
+H	 2.2317612238	-2.4321221911	-1.6073721956	 0.091231
+H	 4.4906688596	-1.4009140085	-0.3616844955	 0.089864
+H	 2.799764011	-3.3370535388	 0.8037545659	 0.102205
+H	 3.9173039267	-2.4357823806	 1.8729993454	 0.106687
+H	 1.3892181489	 0.3128710228	 1.5979068257	 0.08854
+19
+0 1993	2.8179078	1.8703762	1.5557615	1.9069	73.03	-0.24853	0.08788	0.33641	931.846	0.159347	-422.555073	-422.547964	-422.54702	-422.586145	29.016
+C	-0.0398495917	-0.1948049087	 0.7580141301	-0.493667
+C	 1.4400819089	-0.154427607	 0.4701510359	 0.358038
+C	 2.0016813692	 0.7703237769	-0.5835243758	-0.356956
+C	 2.1002362738	-0.7221210047	-0.7789560924	-0.121325
+C	 3.3441129789	-1.386267298	-0.1884696249	 0.183517
+O	 2.9331684414	-2.5906730945	 0.4617727682	-0.275011
+C	 2.3312429943	-2.1363833053	 1.6887453531	-0.082722
+C	 2.4437354117	-0.5972791649	 1.5491059531	-0.046554
+O	 3.710800261	-0.5236542647	 0.873884945	-0.250423
+H	-0.3183668661	 0.5644576174	 1.4987187595	 0.120754
+H	-0.6186274046	 0.005393527	-0.1485608344	 0.123169
+H	-0.3630598774	-1.1673084315	 1.1446271826	 0.121042
+H	 1.2637797935	 1.2829215884	-1.1917529566	 0.108367
+H	 2.9052476	 1.3340642045	-0.3844505211	 0.124612
+H	 1.5439340369	-1.2386715697	-1.5511075371	 0.096507
+H	 4.1931822634	-1.5924095588	-0.8394317163	 0.093458
+H	 1.3022774239	-2.500333475	 1.7616718796	 0.104843
+H	 2.9094765956	-2.5108261714	 2.5407740603	 0.105814
+H	 2.4752308875	-0.0283795799	 2.4784523811	 0.086538
+19
+0 1994	2.8278566	1.8265615	1.5520258	1.3051	72.8	-0.24389	0.08603	0.32992	935.2604	0.158982	-422.552411	-422.545273	-422.544329	-422.583471	29.195
+C	-0.0248099258	 0.0924512076	-0.0221203288	-0.489911
+C	 1.4697250534	 0.0622837617	 0.1179796776	 0.43917
+O	 2.2236230637	 0.2434423782	-1.0950257421	-0.306994
+C	 2.3859356849	 1.2033916365	-0.0397727215	-0.028627
+C	 3.5354003175	 0.9055740724	 0.9332599955	 0.060465
+C	 3.6558831193	-0.6208585909	 0.847790277	-0.233866
+C	 2.160537751	-0.8247387906	 1.1744979266	-0.145382
+C	 2.0864455662	 0.0052198821	 2.4805091466	-0.075146
+O	 2.9792085211	 1.1147588222	 2.2488197734	-0.281714
+H	-0.5121296802	 0.2390103449	 0.9470994791	 0.125506
+H	-0.3331913201	 0.8983055669	-0.6925001839	 0.132613
+H	-0.3890400716	-0.8536860035	-0.4381231564	 0.128496
+H	 2.0617534937	 2.2185064244	-0.2476926408	 0.099212
+H	 4.4396247541	 1.5066427366	 0.8450937002	 0.077055
+H	 3.9405756972	-0.9897926265	-0.1347067972	 0.125368
+H	 4.3202317077	-1.0163747381	 1.618542371	 0.10141
+H	 1.7964102017	-1.8490120919	 1.2639979912	 0.06979
+H	 1.0817615798	 0.3843272024	 2.6993310309	 0.101744
+H	 2.4356947964	-0.5688703444	 3.3477207916	 0.100812
+19
+0 1995	2.8175696	1.8343601	1.5388852	2.9469	72.76	-0.24648	0.08237	0.32885	942.3524	0.158795	-422.555184	-422.547922	-422.546978	-422.586468	29.306
+C	 0.391306636	 0.1329723952	-2.0833877767	-0.497028
+C	 1.1571087264	-0.046849455	-0.8053895677	 0.431924
+O	 2.2210434578	 0.8804228846	-0.5450998439	-0.28724
+C	 2.5432031257	-0.5064197319	-0.6484505107	-0.041563
+C	 2.5314079558	-1.2384752488	 0.7018906008	 0.02374
+C	 1.8046986701	-2.5869789918	 0.4577298051	-0.224032
+C	 0.3249671613	-2.1027214463	 0.3221011354	-0.222859
+C	 0.4982986809	-0.5676367291	 0.4907357383	-0.02207
+O	 1.561145979	-0.4936413496	 1.4420082398	-0.240827
+H	-0.1791602709	-0.764788634	-2.3411897132	 0.125119
+H	-0.3187911654	 0.9624523211	-1.990597711	 0.131797
+H	 1.0707495926	 0.3622475913	-2.9078440189	 0.13435
+H	 3.1890664937	-0.8120560998	-1.4665387895	 0.097245
+H	 3.4689201421	-1.2794763443	 1.2554541725	 0.086352
+H	 2.1674492118	-3.1026962502	-0.4362139045	 0.100314
+H	 1.9341896978	-3.2564573832	 1.3103487478	 0.110466
+H	-0.1302319152	-2.3840415444	-0.6305324183	 0.102076
+H	-0.3004348193	-2.5009230445	 1.1236106031	 0.110108
+H	-0.36853404	-0.0181672491	 0.8585337618	 0.082127
+19
+0 1996	2.9841184	1.7197219	1.6230091	2.7766	73.27	-0.23847	0.08611	0.32458	936.0914	0.158732	-422.544154	-422.537026	-422.536082	-422.575173	29.192
+C	 0.0373614017	 0.4501475458	 0.1575682476	-0.499626
+C	 1.4287451649	-0.1000233228	 0.0441084122	 0.434779
+O	 2.3872276239	 0.6768399495	-0.6831077761	-0.279542
+C	 2.0842573292	-0.6445448542	-1.1580524285	-0.043162
+C	 3.0190045891	-1.759396815	-0.638795516	-0.099035
+C	 4.1308092262	-1.101659632	 0.1983372785	-0.066353
+O	 3.4376659605	-0.5998852546	 1.3595175544	-0.260935
+C	 2.0676790772	-0.9487106452	 1.192691945	 0.012925
+C	 2.1398255609	-2.3283268552	 0.5111727355	-0.234363
+H	-0.0015697204	 1.2568804609	 0.8978748061	 0.133996
+H	-0.2974344126	 0.8519032389	-0.8024837749	 0.130811
+H	-0.6658883905	-0.3281320749	 0.473815771	 0.122433
+H	 1.6268777698	-0.6981975541	-2.1424095905	 0.092888
+H	 3.370892373	-2.4619013389	-1.3939834668	 0.071355
+H	 4.8844428261	-1.8350737785	 0.5122915611	 0.090572
+H	 4.6201382415	-0.2728671182	-0.3185490261	 0.117227
+H	 1.5646519379	-0.8726032512	 2.1571420874	 0.072981
+H	 2.6278907203	-3.09147778	 1.1243143306	 0.102569
+H	 1.1707722812	-2.6943792403	 0.1612518397	 0.10048
+19
+0 1997	2.9320799	1.7173605	1.5949314	1.5116	73.16	-0.24436	0.07915	0.32350999999999996	927.1553	0.159418	-422.546758	-422.539783	-422.538839	-422.577503	29.448
+O	 0.4690092636	 0.1063120102	 1.1747765855	-0.477682
+C	-0.8921400426	 0.4133159661	 1.2179058938	 0.400076
+C	-1.3429239699	 1.7507016593	 1.7583662497	-0.369657
+C	-1.6012626255	 0.4837332796	 2.5468880485	-0.076734
+C	-2.9054059813	-0.2933862089	 2.268964773	 0.085847
+C	-2.3795533135	-1.4465237414	 1.3940535868	-0.227904
+C	-1.8411569019	-0.4462262493	 0.3354659625	-0.114228
+C	-3.143167553	 0.3115965065	 0.0546461381	-0.094283
+O	-3.745877342	 0.4421182889	 1.3587869464	-0.279331
+H	 0.8613732842	 0.5888944003	 0.439044094	 0.281366
+H	-0.5415513966	 2.3759897628	 2.1392264594	 0.108903
+H	-2.1830582049	 2.2890073273	 1.3381577179	 0.129804
+H	-1.0752402669	 0.3202203556	 3.4808981637	 0.092449
+H	-3.4977493429	-0.5412723095	 3.1495225712	 0.075794
+H	-1.5848331915	-2.0222506398	 1.8728101583	 0.110412
+H	-3.1655846198	-2.1140466965	 1.0281180801	 0.095037
+H	-1.3537044983	-0.8603549615	-0.547191146	 0.065915
+H	-2.9907035203	 1.3043015471	-0.3825719848	 0.098
+H	-3.8092785868	-0.2596518768	-0.6052863281	 0.096214
+19
+0 1998	2.7425954	1.8812319	1.5589916	0.8936	73.1	-0.24659	0.07619	0.32278	926.9885	0.159703	-422.560294	-422.553217	-422.552273	-422.591199	29.497
+O	-0.5546072433	-0.2909122307	 0.3359954294	-0.472529
+C	-1.946753795	-0.3386481811	 0.3016259456	 0.402935
+C	-2.7531757464	-0.7513397217	 1.5047164681	-0.375354
+C	-2.6767769784	-1.6601638227	 0.2934466799	-0.097871
+C	-3.7225615105	-1.4434644825	-0.8014158012	 0.059534
+C	-2.9962105314	-1.4974007999	-2.1680980846	-0.212198
+C	-2.2284857324	-0.1366925265	-2.1561530398	-0.215543
+C	-2.6847628636	 0.4447755798	-0.7959871444	-0.007433
+O	-4.0270813723	-0.0421003884	-0.6758972822	-0.262798
+H	-0.296622486	 0.5027532625	 0.8174236237	 0.285358
+H	-2.1661548565	-1.0758027169	 2.3570376512	 0.110528
+H	-3.6819091677	-0.242410207	 1.7352976867	 0.123835
+H	-2.1363908756	-2.5969673829	 0.354244451	 0.09741
+H	-4.644948585	-2.0203071283	-0.7250973519	 0.077227
+H	-2.3313793733	-2.3609950536	-2.2505664504	 0.101034
+H	-3.7182180907	-1.5434558625	-2.9867352582	 0.101618
+H	-1.1442371151	-0.2545333025	-2.197814901	 0.116687
+H	-2.5414745165	 0.5083814912	-2.97994539	 0.097302
+H	-2.6795674702	 1.5329624936	-0.7091484719	 0.070258
+19
+0 1999	2.9436621	1.7146047	1.6059668	0.4422	73.19	-0.23741	0.0797	0.31711	927.0688	0.159492	-422.547523	-422.540541	-422.539597	-422.578258	29.457
+O	 0.1995621178	 0.0899114283	-0.0366326701	-0.472878
+C	-1.0439465188	 0.3315146693	 0.54625928	 0.398709
+C	-1.8113342421	 1.5947082456	 0.2906368229	-0.366113
+C	-2.3081226701	 0.2656174682	-0.2728337684	-0.097324
+C	-3.2438790113	-0.6574462689	 0.54342214	-0.055411
+C	-3.6705609626	 0.0419045346	 1.8391763013	-0.090942
+O	-2.4310628357	 0.1821375913	 2.5665419163	-0.278058
+C	-1.4279932159	-0.5024442249	 1.7976878281	 0.030789
+C	-2.2120861731	-1.652464149	 1.1460576838	-0.22897
+H	 0.8501670006	 0.6438247644	 0.4089783964	 0.283389
+H	-2.3187554235	 2.0893436036	 1.1090316693	 0.130015
+H	-1.37799977	 2.2605988679	-0.449227872	 0.108689
+H	-2.260326528	 0.1321017057	-1.3472367932	 0.094599
+H	-4.0698143667	-1.0829841145	-0.0266489316	 0.068171
+H	-4.1155141199	 1.0293850019	 1.6778307711	 0.101666
+H	-4.3738992899	-0.5667836713	 2.4219635107	 0.096094
+H	-0.5911955282	-0.7459831677	 2.4529116222	 0.071601
+H	-1.6328837557	-2.1792843673	 0.3848552995	 0.112088
+H	-2.6324478969	-2.3625020273	 1.8647470741	 0.093886
+19
+0 2000	2.9193732	1.7128312	1.3430633	1.5433	74.19	-0.25252	0.09338	0.34590000000000004	998.1802	0.158279	-422.534508	-422.52686	-422.525916	-422.566364	29.82
+C	 0.1081951844	-0.0105662372	 0.5128001146	-0.503289
+C	 1.1087786632	 0.8645013086	-0.1831636201	 0.333654
+C	 1.9346063693	 1.9177383599	 0.5003058729	-0.347192
+C	 2.6469342714	 0.8152888839	-0.236766614	-0.143879
+C	 2.638473132	 1.1576427947	-1.7289328601	 0.089694
+O	 2.9262791729	 0.0921131334	-2.6117900702	-0.25613
+C	 1.7728130826	-0.7151123058	-2.6590209998	 0.006082
+O	 0.6621708663	 0.147016714	-2.526994622	-0.254941
+C	 1.0657013201	 1.2085418189	-1.682314383	 0.018022
+H	 0.4751399332	-0.3273302952	 1.4944115306	 0.117724
+H	-0.8397086923	 0.5186522815	 0.6673503957	 0.122933
+H	-0.1083129245	-0.9058588601	-0.0783860912	 0.128634
+H	 1.9643892017	 2.9392280686	 0.1229733388	 0.105231
+H	 1.9657362731	 1.8505022353	 1.5833653388	 0.116375
+H	 3.3402834959	 0.1384952292	 0.2487227351	 0.092426
+H	 3.2161026404	 2.0270519224	-2.0520658085	 0.08575
+H	 1.7242587373	-1.2149553323	-3.6302243231	 0.120396
+H	 1.7850386831	-1.461015672	-1.8465837522	 0.088571
+H	 0.5192536299	 2.1058429223	-1.9849690622	 0.079939
+19
+0 2001	2.9115325	1.6601843	1.3093162	1.992	73.77	-0.23634	0.0808	0.31714	1017.198	0.157732	-422.533415	-422.525625	-422.52468	-422.56549	30.189
+C	-0.0807012503	 0.2028180161	-0.164477098	-0.51147
+C	 1.4102688348	 0.1743658772	-0.1316312829	 0.394664
+O	 2.0934396117	-1.0821794248	-0.016417246	-0.291701
+C	 2.4460550106	-0.2195146578	-1.1083468294	-0.059068
+C	 3.4627752132	 0.7891391931	-0.5574364749	-0.073645
+C	 3.6627188814	 2.0639910464	-1.3845105979	-0.242129
+C	 2.3917270102	 2.8797914229	-1.0978188556	-0.088798
+O	 2.0260680456	 2.5614528293	 0.2433875399	-0.256576
+C	 2.3681689514	 1.2153100283	 0.4990038717	 0.035936
+H	-0.4926240849	-0.0374642008	 0.8221623248	 0.132971
+H	-0.4326821536	 1.2020566831	-0.4378244893	 0.136676
+H	-0.4695894512	-0.5236867622	-0.883093543	 0.130225
+H	 2.3566489673	-0.6273719298	-2.1103218779	 0.097959
+H	 4.3910613718	 0.348669584	-0.1905715425	 0.083782
+H	 4.5451307971	 2.6001748481	-1.0230548367	 0.113319
+H	 3.8013936517	 1.8710366354	-2.4523653298	 0.104103
+H	 2.5411269275	 3.9612448963	-1.1522467488	 0.111968
+H	 1.5852757163	 2.6110736062	-1.7964047015	 0.095379
+H	 2.5656100695	 1.100147849	 1.5668785277	 0.086406
+19
+0 2002	3.4338994	1.4536803	1.2490214	2.7389	73.93	-0.23623	0.07672	0.31295	1053.1566	0.157969	-422.523196	-422.515475	-422.514531	-422.555186	29.986
+C	 0.2673134494	 0.381403951	 0.379443427	-0.505721
+C	 1.2140119317	-0.1666120818	-0.6367633879	 0.404381
+O	 2.2094068725	-1.1100639423	-0.2066215641	-0.279075
+C	 2.6434253943	 0.0643736339	-0.9086620014	-0.066671
+C	 2.464125041	-0.2153223406	-2.4168653232	-0.059391
+C	 2.9690621602	-1.5447271822	-2.9977359831	-0.09581
+O	 1.8050601747	-2.2302618572	-3.4580034277	-0.256928
+C	 0.7231743292	-1.9276645922	-2.5776696769	-0.099018
+C	 0.9444492538	-0.4740426507	-2.1352564684	-0.105603
+H	 0.7982252234	 0.6341796284	 1.3010388778	 0.135855
+H	-0.2292827107	 1.2805442821	 0.0004428743	 0.125748
+H	-0.5092219366	-0.3527618109	 0.6234538389	 0.132366
+H	 3.3713029509	 0.6952541865	-0.4100803378	 0.101322
+H	 2.6624416918	 0.6515341996	-3.0487961125	 0.080975
+H	 3.632257308	-1.4236029591	-3.8583901357	 0.102496
+H	 3.4874213822	-2.131440573	-2.2269509927	 0.103074
+H	-0.2013519308	-2.0800029575	-3.1410281622	 0.101737
+H	 0.7276526788	-2.6018775107	-1.7100039953	 0.101436
+H	 0.273018646	 0.2423922266	-2.6114823192	 0.078826
+19
+0 2003	3.3093744	1.5182315	1.3450428	2.3912	73.92	-0.22891	0.07895	0.30786	1021.2748	0.157827	-422.527794	-422.52007	-422.519126	-422.559746	30.077
+C	-0.0195361449	 0.2478780716	-0.2319378973	-0.505139
+C	 1.4529839663	 0.0039342413	-0.1832758834	 0.408297
+O	 2.1426604758	 0.2335614811	 1.0543168919	-0.282903
+C	 2.6148798609	 0.9172468819	-0.1179498077	-0.080928
+C	 3.4857314958	-0.0753597854	-0.9268625897	 0.09661
+O	 4.5759777096	-0.7024575116	-0.3091272035	-0.263567
+C	 4.1036876043	-1.8137947504	 0.4636477508	-0.068304
+C	 2.7842085825	-2.2962383674	-0.190729952	-0.247574
+C	 2.2735398227	-1.0632953106	-0.9488194475	-0.134034
+H	-0.2719854323	 1.1699011563	 0.2984137129	 0.135998
+H	-0.3654808003	 0.3301221397	-1.2674211242	 0.125233
+H	-0.5666011127	-0.5767700183	 0.2393978418	 0.131177
+H	 2.6696971144	 1.999512837	-0.0629855901	 0.098669
+H	 3.800844713	 0.3320384796	-1.8916281885	 0.082571
+H	 4.8901530372	-2.5751118566	 0.4464815339	 0.096775
+H	 3.9298919664	-1.5051057721	 1.4985959005	 0.116469
+H	 2.9788334314	-3.1104331235	-0.894566756	 0.104229
+H	 2.0789509543	-2.6608856771	 0.5603716558	 0.10902
+H	 1.8785270357	-1.2811976556	-1.9423031578	 0.077402
+19
+0 2004	2.9004468	1.7245025	1.3324149	1.9112	74.21	-0.22674	0.07891	0.30565	994.5956	0.158811	-422.538368	-422.530909	-422.529965	-422.569946	29.962
+O	 0.337750146	 0.2793654792	 0.5998905013	-0.463186
+C	-0.5905784841	 1.2920659739	 0.6640474626	 0.428445
+C	-2.0229733296	 1.0735128124	 0.3449626314	-0.34808
+C	-1.6752680336	 1.6553655493	 1.7036499359	-0.154961
+C	-1.3392148789	 3.1442267991	 1.5492092202	-0.038174
+C	-0.5798462992	 3.7755978788	 2.7201002226	-0.23879
+C	 0.8226470333	 3.1700314327	 2.5935507849	-0.091896
+O	 1.0473066773	 3.0143989925	 1.1889480189	-0.277879
+C	-0.1955528588	 2.7605375419	 0.5419588654	 0.014276
+H	 1.1653280536	 0.6622367827	 0.9219446177	 0.29246
+H	-2.5433448425	 1.669610483	-0.4043030394	 0.101919
+H	-2.3199025202	 0.029222042	 0.3682437148	 0.122669
+H	-1.9720830321	 1.1649641282	 2.6236864511	 0.085801
+H	-2.1463786895	 3.7785020892	 1.1711947363	 0.069018
+H	-0.5356449923	 4.8618590302	 2.5927597155	 0.108116
+H	-1.038441274	 3.5660267087	 3.6907137069	 0.105033
+H	 1.6186635475	 3.8087153174	 2.9852982654	 0.112049
+H	 0.8780280048	 2.1982917547	 3.1053262316	 0.097347
+H	-0.1479054379	 3.2055639143	-0.4568187531	 0.075833
+19
+0 2005	2.9471438	1.6495297	1.313676	2.5238	74.6	-0.2453	0.07563	0.32093	1008.7853	0.158463	-422.533825	-422.526237	-422.525293	-422.565542	30.161
+O	 0.3072495728	 0.3291673411	 0.1888850726	-0.462497
+C	-0.6529694289	 1.211416976	 0.6529191861	 0.425744
+C	-2.1246984973	 0.9173193356	 0.5886634097	-0.368203
+C	-1.5668000347	 2.1004528771	-0.1734460143	-0.098712
+C	-1.3353569868	 3.2685181729	 0.7890612719	-0.033028
+C	-0.412428561	 4.36908191	 0.2610606806	-0.099327
+O	 0.8946237168	 3.8165735163	 0.2447461317	-0.245926
+C	 1.0094602461	 3.017879222	 1.4144630685	-0.089388
+C	-0.3566470379	 2.3552279276	 1.6300789824	-0.140917
+H	 0.2969003367	-0.4538690751	 0.7503628998	 0.285784
+H	-2.3753645721	 0.0634802045	-0.033441355	 0.113285
+H	-2.7778632784	 1.0642699526	 1.4471157999	 0.100473
+H	-1.6556977587	 2.1808027745	-1.2503104886	 0.094474
+H	-2.2255543717	 3.6619588645	 1.2878519684	 0.068589
+H	-0.6500261145	 4.6937284538	-0.7566027858	 0.106439
+H	-0.4595395909	 5.2481562801	 0.9261641258	 0.083262
+H	 1.8110194542	 2.2942627339	 1.244769434	 0.116559
+H	 1.2674721431	 3.6388607947	 2.2879252163	 0.0811
+H	-0.5755717867	 2.1717517079	 2.6864660257	 0.06229
+19
+0 2006	2.9122736	1.6651669	1.3259283	2.2624	74.24	-0.24256	0.07389	0.31645	1002.8125	0.158545	-422.537422	-422.529839	-422.528894	-422.569126	30.272
+O	 0.1289351511	 0.0920439958	 1.0793712063	-0.467445
+C	-0.6215448833	 1.2309950478	 0.8401867227	 0.402651
+C	-2.0536024205	 1.1909571816	 0.3964914464	-0.358035
+C	-1.7044576313	 1.8220945526	 1.7298151003	-0.142773
+C	-1.1528486638	 3.2324565081	 1.4904539088	 0.127975
+O	-0.5271169471	 3.8268547778	 2.6064074117	-0.261399
+C	 0.7447362994	 3.2083873867	 2.7863236618	-0.092522
+C	 1.261081114	 2.9179182838	 1.3685111538	-0.231962
+C	-0.0183674847	 2.6211124825	 0.5783643446	-0.138419
+H	 0.2812307631	-0.3548207237	 0.2392346774	 0.286108
+H	-2.4086932216	 1.8002428856	-0.4332497168	 0.102298
+H	-2.5232549987	 0.2155362218	 0.4774615722	 0.115122
+H	-2.1183959141	 1.4590895229	 2.6625805735	 0.098809
+H	-1.8474433734	 3.9626957198	 1.0655412315	 0.07636
+H	 1.3722870091	 3.9019592587	 3.3516992246	 0.106027
+H	 0.6482859437	 2.2779809127	 3.3639810281	 0.105295
+H	 1.7567351777	 3.8007049354	 0.9545001078	 0.101594
+H	 1.9640638289	 2.0812589857	 1.3466425637	 0.109808
+H	 0.0392602115	 2.9341145943	-0.4683349183	 0.060507
+19
+0 2007	2.1753907	1.8715277	1.462212	2.4891	75.89	-0.22487	0.00923	0.23409999999999997	997.6799	0.155465	-422.557447	-422.548662	-422.547718	-422.589871	34.807
+C	 0.0283995683	-0.0911081851	-0.0387196741	-0.458608
+C	 1.5596017326	-0.037932076	 0.0111930399	 0.262091
+O	 1.9878686405	 1.3148694298	 0.2145589498	-0.462729
+C	 2.1414802834	-0.9834012283	 1.05530139	-0.135855
+C	 2.9336908373	-1.9152368616	 0.5226843058	-0.082982
+C	 3.0572389138	-1.7516199037	-0.9538999091	-0.178352
+C	 3.6883837568	-0.4342675518	-1.4079989449	-0.30286
+C	 2.2038687823	-0.5454047734	-1.2974768063	 0.400602
+O	 1.4916130067	-0.4367342055	-2.4906572992	-0.469192
+H	-0.3931063891	 0.2185468909	 0.9243481126	 0.105393
+H	-0.3453949647	 0.5813795329	-0.8147044222	 0.137354
+H	-0.3321289147	-1.1069563738	-0.2361542733	 0.110464
+H	 1.60819177	 1.621341947	 1.0452752577	 0.274231
+H	 1.9297721979	-0.8580105005	 2.1124728251	 0.087448
+H	 3.4662954425	-2.6793560153	 1.0788615253	 0.098803
+H	 3.1219631117	-2.6082509796	-1.6152497813	 0.088217
+H	 4.2263278659	 0.1618542126	-0.6810262211	 0.127452
+H	 4.0695409153	-0.407692595	-2.4230037872	 0.117633
+H	 0.7503733036	-1.0510787536	-2.4575719974	 0.280888
+19
+0 2008	2.168431	1.9189685	1.4530645	2.0987	75.	-0.24656	-0.00839	0.23817	1000.8618	0.155439	-422.561002	-422.552319	-422.551375	-422.593419	34.097
+C	 2.6491250451	-1.6848962925	-0.5488413309	-0.503064
+C	 2.4989187882	-0.6442672856	 0.5238136368	 0.355037
+O	 3.3115065966	-0.8323199126	 1.698823876	-0.313044
+C	 3.4959694254	 0.3684976662	 0.8915757283	-0.069998
+C	 2.764985885	 1.5489475226	 1.4456198038	-0.100391
+C	 1.4570266165	 1.2933346486	 1.4810590719	-0.132275
+C	 1.1066154406	-0.0899352732	 0.9348499989	 0.301576
+C	 0.0931004033	-0.028577265	-0.2020521578	-0.433319
+O	 0.5351020527	-0.9103279386	 1.9491585292	-0.470487
+H	 2.0591282236	-2.5734850782	-0.2992754614	 0.137233
+H	 2.3069995474	-1.312639056	-1.518973055	 0.1265
+H	 3.6962964502	-1.983990248	-0.6377602842	 0.129521
+H	 4.4710074024	 0.4502731451	 0.4207041256	 0.098281
+H	 3.2583812581	 2.4441836643	 1.8040483942	 0.107585
+H	 0.6887885265	 1.9315245351	 1.9037697142	 0.107522
+H	-0.1376152377	-1.0342011827	-0.5640608699	 0.127034
+H	-0.8359608185	 0.4216593997	 0.1588971162	 0.127012
+H	 0.4691738523	 0.5742108471	-1.0335023163	 0.118239
+H	 1.2473937625	-1.0593148661	 2.5860811002	 0.287039
+19
+0 2009	2.7724488	1.5681205	1.1820223	2.6795	77.88	-0.24287	-0.0033	0.23957	1093.0777	0.157041	-422.534331	-422.526017	-422.525073	-422.567139	31.648
+C	 0.0634503338	 0.4072615665	 0.2183111433	-0.466413
+C	 1.5263237413	 0.0406812817	 0.0764230458	 0.360009
+C	 2.0636394816	-0.7887349711	 1.2391663223	-0.159712
+O	 3.3118673808	-1.3867161383	 1.0078377519	-0.220299
+C	 4.4422867744	-0.5889173815	 1.2659002239	-0.143812
+C	 4.7082062875	 0.5306643058	 0.2998763593	-0.076979
+C	 3.864259068	 1.1220805732	-0.5462483062	-0.053694
+C	 2.4127015696	 0.8831750306	-0.7508551425	-0.035905
+O	 1.9288322027	-0.3995601309	-1.2170247813	-0.279433
+H	-0.1114851408	 0.9861556143	 1.1319556348	 0.121245
+H	-0.2690323442	 0.9997629493	-0.6370146604	 0.131504
+H	-0.5551419772	-0.4956095937	 0.2676570912	 0.128042
+H	 2.0749955104	-0.1701724428	 2.152623813	 0.091586
+H	 1.3636202838	-1.6152690178	 1.4137299687	 0.113325
+H	 4.3982775559	-0.1767587003	 2.2923476393	 0.099483
+H	 5.2957846889	-1.2774641193	 1.2489047494	 0.121777
+H	 5.7375816526	 0.8865980451	 0.3203257449	 0.096238
+H	 4.2629811273	 1.9225310325	-1.1654387312	 0.090835
+H	 1.9255044936	 1.7121914266	-1.2669748063	 0.082204
+19
+0 2010	2.7029923	1.5585332	1.1974216	0.3704	77.99	-0.22885	0.01634	0.24519	1076.8374	0.157782	-422.539234	-422.531114	-422.53017	-422.571514	31.921
+O	 0.2169611551	 0.1220452134	 0.9794147038	-0.463368
+C	-0.9329187446	 0.4953189257	 0.2645062056	 0.352905
+C	-2.2568509817	 0.4786007988	 0.9692534305	-0.350568
+C	-1.5282768575	 1.8042498038	 0.6968427549	-0.091409
+C	-2.0573378834	 2.8499481766	-0.2098618461	-0.0526
+C	-2.2999091698	 2.8097942378	-1.5218149867	-0.083282
+C	-2.1209992403	 1.6686010473	-2.4845617063	-0.138804
+O	-2.0362001815	 0.3752028863	-1.9209850768	-0.234446
+C	-0.8519416464	 0.1077598459	-1.2034734759	-0.152493
+H	 0.1775406051	-0.8301379175	 1.1263706463	 0.282631
+H	-3.1357927906	 0.2738269776	 0.3697028654	 0.131432
+H	-2.2816772629	 0.1303018971	 1.9960898986	 0.10998
+H	-1.0417866612	 2.205134741	 1.5808167245	 0.100013
+H	-2.2688127239	 3.7915795992	 0.2932648294	 0.08867
+H	-2.6782245767	 3.715095309	-1.9944424171	 0.087204
+H	-2.9849910321	 1.6329639682	-3.1593776635	 0.116148
+H	-1.2374961336	 1.8589133303	-3.1219427164	 0.100996
+H	-0.6890427375	-0.9767945133	-1.266618395	 0.095124
+H	 0.0177596635	 0.5989985529	-1.6662953553	 0.101868
+19
+0 2011	3.0129578	1.3877238	1.1518293	2.4866	74.99	-0.22837	-0.01601	0.21236	1113.8424	0.156554	-422.567332	-422.559013	-422.558068	-422.600098	32.137
+C	-3.8631225744	 0.7102988299	-1.1831282162	-0.460513
+C	-2.5086338369	 0.1027343511	-1.4577087536	 0.431409
+C	-2.3468002449	-1.074778502	-2.3709934114	-0.347991
+C	-2.0789358168	-1.2292157891	-0.8852655465	-0.100637
+C	-0.6481583495	-1.2798268598	-0.3575532343	-0.333275
+C	-0.314843385	 0.0061998498	 0.3879094178	 0.363465
+O	 0.3210116735	 0.0524221829	 1.4125966926	-0.304334
+C	-0.8646761452	 1.2775202309	-0.2661419493	-0.192863
+O	-1.4529469744	 1.0363106564	-1.5327873578	-0.284356
+H	-3.8782215519	 1.2434295576	-0.225873519	 0.120458
+H	-4.1276869576	 1.4227811098	-1.9710590285	 0.130515
+H	-4.6353332497	-0.0634882992	-1.1456479659	 0.119408
+H	-3.2416811159	-1.5309782431	-2.7799868199	 0.114339
+H	-1.4900422184	-1.066999667	-3.0361772244	 0.121998
+H	-2.8118559828	-1.780109005	-0.3043948569	 0.098189
+H	-0.4769502757	-2.1250727326	 0.3118597234	 0.129377
+H	 0.0658455759	-1.3714414382	-1.186034073	 0.1327
+H	-1.5666845572	 1.7532730429	 0.4362343215	 0.12187
+H	-0.0388749032	 1.9778412149	-0.4224150485	 0.140241
+19
+0 2012	3.4743619	1.307397	1.1226238	4.5043	75.27	-0.26064	0.01504	0.27568	1127.9184	0.157769	-422.593064	-422.584823	-422.583879	-422.625652	31.578
+C	-3.2256121993	 0.1558845313	 2.8369536444	-0.470292
+C	-2.4615766688	 0.1126440253	 1.5316929482	 0.306473
+C	-3.1336374773	-0.4003266073	 0.2812149298	-0.336981
+C	-2.0270843181	-1.1990492312	 0.9379052403	-0.069413
+C	-0.6432633195	-1.2391673626	 0.3202894595	-0.361146
+C	-0.2345134952	 0.0531429648	-0.3713619667	 0.399813
+O	 0.4753294945	 0.0961070484	-1.3376709153	-0.324319
+O	-0.7267568569	 1.2121889952	 0.1398315331	-0.225016
+C	-1.4401752438	 1.2241789809	 1.3832919522	-0.132687
+H	-3.9092741874	-0.6943511171	 2.9154362607	 0.123168
+H	-2.5488043582	 0.1194311732	 3.698973874	 0.119798
+H	-3.8226881311	 1.0716190175	 2.9200965854	 0.123357
+H	-4.1471266929	-0.773757823	 0.3783131561	 0.113547
+H	-2.9290944823	 0.0918736604	-0.6637238388	 0.134628
+H	-2.3203378209	-2.1083273803	 1.4546029865	 0.089802
+H	 0.1038934299	-1.4403628077	 1.1011784449	 0.133162
+H	-0.5382095305	-2.0337545312	-0.4227406145	 0.14021
+H	-0.7170357067	 1.1762776875	 2.2105923163	 0.110409
+H	-1.9171061456	 2.208551026	 1.4192281839	 0.125488
+19
+0 2013	3.3749025	1.2930296	1.1118954	4.4569	75.47	-0.25541	0.01188	0.26729	1141.1485	0.157627	-422.589071	-422.580882	-422.579938	-422.621578	31.697
+C	-3.1661993181	-0.1357056629	-2.8896852176	-0.46408
+C	-2.4568839806	-0.0372261562	-1.5550355182	 0.286349
+C	-3.0115574915	-0.8348739115	-0.3817027862	-0.364129
+C	-1.7198908363	-1.2385597659	-1.0407969625	 0.099256
+O	-0.4752985585	-1.1237394121	-0.3781295552	-0.224974
+C	-0.0060893761	 0.0600315134	 0.0964015171	 0.412465
+O	 1.0857662089	 0.0938748313	 0.5938578657	-0.322782
+C	-0.9247079761	 1.2660211468	-0.0065695061	-0.369571
+C	-1.7853364801	 1.2957752064	-1.2760940277	-0.268714
+H	-3.5732174801	-1.1381603825	-3.0535920109	 0.118211
+H	-4.0008170616	 0.5731612396	-2.9414400388	 0.122339
+H	-2.4840065884	 0.0895829173	-3.7174040433	 0.123043
+H	-2.9626703412	-0.4133957988	 0.6156112312	 0.121511
+H	-3.8808353453	-1.4605964356	-0.5542070477	 0.118736
+H	-1.701972508	-2.1472880888	-1.6314682615	 0.112487
+H	-1.5612377856	 1.2614351861	 0.886352548	 0.138276
+H	-0.291852497	 2.1515791949	 0.0716956465	 0.138269
+H	-2.5308406461	 2.0961820803	-1.2000052828	 0.109267
+H	-1.1497587581	 1.5452096082	-2.1357509102	 0.114042
+19
+0 2014	3.2346052	1.3327771	1.1000781	3.8735	75.	-0.24136	-0.01416	0.22719999999999999	1153.1272	0.156805	-422.581749	-422.573327	-422.572383	-422.614838	31.935
+C	-3.9094126355	-0.1101662203	 2.0034023195	-0.467965
+C	-2.4641063474	-0.0216852107	 1.5683017781	 0.385102
+C	-1.7646663394	-1.3502632698	 1.2978695128	-0.277034
+C	-0.7390169261	-1.3022725153	 0.1467420748	-0.304466
+C	 0.0815593401	-0.0228074392	 0.134890478	 0.390079
+O	 1.2880143685	-0.0096612074	 0.1421588107	-0.304142
+C	-0.7489838044	 1.2545893891	 0.0509543521	-0.337371
+C	-1.950893687	 1.2271497973	 0.9674391735	-0.002168
+O	-1.6688274804	 0.9054495728	 2.3328202083	-0.286567
+H	-4.0045317634	-0.7552981097	 2.8839388227	 0.129743
+H	-4.2964527351	 0.8783067253	 2.2622344183	 0.129723
+H	-4.5316433239	-0.5353619467	 1.2085263533	 0.120772
+H	-1.2674575937	-1.6502559767	 2.2270098714	 0.13168
+H	-2.5111020664	-2.1205211845	 1.0795058089	 0.10692
+H	-0.0599465168	-2.1565469812	 0.1807966946	 0.123988
+H	-1.2800245965	-1.339593524	-0.8094025882	 0.116213
+H	-0.1061995986	 2.11015888	 0.2776365761	 0.135075
+H	-1.0906767138	 1.3653116908	-0.9883834134	 0.122743
+H	-2.6497264103	 2.0563155202	 0.8408632083	 0.087675
+19
+0 2015	3.1108658	1.3228926	1.0982658	2.6838	74.58	-0.23888	-0.01555	0.22333	1129.2907	0.157215	-422.577481	-422.569095	-422.568151	-422.610727	32.297
+O	-3.9754815542	 0.2401398333	-1.5764642471	-0.464778
+C	-2.5906788071	 0.0555094561	-1.4327812194	 0.400831
+C	-2.0422805761	-1.0418662734	-2.2927467469	-0.312743
+C	-2.1241425416	-1.2407824661	-0.7911233075	-0.103058
+C	-0.8539240458	-1.2933939937	 0.0442563676	-0.319825
+C	-0.0074945717	-0.0282349323	-0.0520318368	 0.379038
+O	 1.1982889666	-0.054706502	-0.1271914082	-0.309373
+C	-0.8114188272	 1.2610689144	-0.0244720437	-0.291947
+C	-1.7777789025	 1.3375493558	-1.2260549511	-0.298059
+H	-4.3305164906	 0.5171019655	-0.7243746658	 0.277659
+H	-2.7521426147	-1.5817928297	-2.9082035789	 0.124141
+H	-1.0621335391	-0.8980582716	-2.7381093049	 0.119164
+H	-2.9237421889	-1.8986657049	-0.4642480646	 0.0927
+H	-1.1242949529	-1.3937958662	 1.1058274269	 0.120953
+H	-0.2269277186	-2.153462347	-0.2095282778	 0.124249
+H	-1.3964633841	 1.2717417045	 0.9052527307	 0.108404
+H	-0.1247496546	 2.109898684	-0.0093812114	 0.120558
+H	-2.4793001108	 2.1644666827	-1.0800753189	 0.109844
+H	-1.2119319562	 1.5743329207	-2.1338172922	 0.122243
+19
+0 2016	3.8472647	1.0247871	0.9113982	3.3181	76.12	-0.25136	-0.0235	0.22785999999999998	1302.9824	0.156001	-422.573017	-422.564337	-422.563393	-422.606665	32.183
+C	 3.3160153543	 2.8176825121	-3.3048602279	-0.484123
+C	 2.2029274487	 2.4756613282	-2.3536698223	 0.417509
+C	 2.5002269128	 2.1829705135	-0.8898043688	-0.311453
+C	 1.158077318	 1.6564920386	-0.3087749945	-0.061647
+C	 0.4230686345	 1.0184572671	-1.5235406573	-0.277051
+C	 0.9583771578	 1.7836300145	-2.7153768618	-0.010029
+O	 0.9716592881	 3.2059061768	-2.518811651	-0.295303
+C	 1.3772345951	 0.6593645631	 0.803463075	 0.151663
+O	 0.969937214	 0.7660020982	 1.9301616731	-0.246332
+H	 3.8135813165	 3.7448302459	-3.0002057452	 0.131051
+H	 4.070266541	 2.0238436785	-3.3241593702	 0.122703
+H	 2.9278369927	 2.958559651	-4.3164388313	 0.133224
+H	 3.2830842495	 1.4140560295	-0.8329356657	 0.104041
+H	 2.8629192263	 3.059857445	-0.3454619491	 0.122296
+H	 0.5716085396	 2.4855810326	 0.0873916536	 0.112016
+H	 0.6821424472	-0.0436951499	-1.6332055128	 0.106088
+H	-0.6634992904	 1.0835061585	-1.4194913375	 0.12612
+H	 0.7414128001	 1.4529557605	-3.7286542545	 0.094233
+H	 1.9755919941	-0.2326984638	 0.4916803684	 0.064995
+19
+0 2017	3.5461506	1.1444121	0.9964601	2.5188	75.51	-0.2334	-0.02733	0.20607	1229.4375	0.155554	-422.559176	-422.550381	-422.549437	-422.593355	32.411
+C	-2.0151897779	-1.8048742011	-0.9471449076	-0.46517
+C	-1.3903320933	-0.4400800878	-0.9795789969	 0.452316
+C	-2.0552845769	 0.753607131	-1.620475351	-0.353376
+C	-0.7413371136	 0.2126593217	-2.1684100945	-0.112727
+C	 0.5357049691	 0.8576319507	-1.664758174	-0.253579
+C	 0.3639922845	 0.8100615818	-0.1255663511	 0.021987
+O	-0.6131541284	-0.185111727	 0.17407282	-0.313057
+C	 1.6244703265	 0.4602873652	 0.6458856802	 0.130454
+O	 2.7302508386	 0.8076004688	 0.3229756659	-0.242197
+H	-2.6946600044	-1.899357597	-0.0938204916	 0.130136
+H	-2.5892500853	-1.9848093598	-1.8599656211	 0.120032
+H	-1.2476415753	-2.5802775188	-0.8584495219	 0.12504
+H	-2.9485858273	 0.5689809713	-2.2075434017	 0.113881
+H	-2.0559583117	 1.7043686578	-1.0968865548	 0.114815
+H	-0.7355069751	-0.265594951	-3.1411031916	 0.093566
+H	 1.410931647	 0.2752141797	-1.9677162976	 0.122752
+H	 0.6857857379	 1.8820569532	-2.0145639185	 0.116919
+H	 0.0221852536	 1.7895821943	 0.2491016476	 0.102296
+H	 1.4341100819	-0.155156843	 1.5521780101	 0.09591
+19
+0 2018	3.3384727	1.1662616	0.9849979	2.4416	75.29	-0.23341	-0.02807	0.20534	1234.2078	0.155689	-422.555547	-422.546779	-422.545835	-422.589593	32.335
+C	 2.7148216303	-1.697282393	-3.8020904472	-0.480035
+C	 2.4883830699	-0.3821279255	-3.0968178484	 0.309183
+C	 2.1786433377	 0.8793317138	-3.8937841081	-0.368259
+C	 1.1442887815	 0.2779858576	-2.9749940441	 0.082645
+O	 0.9704773796	 0.8485366346	-1.7028974854	-0.277354
+C	 2.2402642839	 0.8759380662	-1.0459290253	 0.027397
+C	 3.1587926644	-0.1518415746	-1.7480005139	-0.313604
+C	 1.9928425531	 0.611846789	 0.4290017371	 0.132429
+O	 2.802411904	 0.1210645895	 1.1714691987	-0.241331
+H	 2.4791225407	-2.5434945919	-3.1465393608	 0.12107
+H	 2.0893465714	-1.7803967295	-4.6965148393	 0.11708
+H	 3.7582092175	-1.8032283725	-4.1208898264	 0.122601
+H	 2.6448110388	 1.8188490474	-3.6146700607	 0.114807
+H	 2.0211944145	 0.7603913407	-4.9608848089	 0.113245
+H	 0.2228285161	-0.1434441661	-3.3602071535	 0.103595
+H	 2.6703425507	 1.8889895074	-1.1200696003	 0.103053
+H	 4.1849403114	 0.2175009652	-1.8237846151	 0.115268
+H	 3.1886128544	-1.0846417052	-1.1755520699	 0.120886
+H	 0.9804267001	 0.9187482169	 0.7707225615	 0.097323
+19
+0 2019	3.7491214	1.0169453	0.9122987	2.555	76.24	-0.24844	-0.02134	0.2271	1291.6973	0.156674	-422.570415	-422.561867	-422.560923	-422.603786	32.451
+O	 4.2847879048	 2.9542076618	-2.5796728629	-0.468117
+C	 3.0217525488	 2.3946472173	-2.3876627499	 0.410373
+C	 2.0117799419	 2.4270979779	-3.5082121016	-0.354672
+C	 2.6643659568	 1.117309643	-3.0938748042	-0.071666
+C	 1.907862091	 0.2242098873	-2.1259924353	-0.246923
+C	 1.4366450895	 1.1751378381	-0.9854068846	-0.074509
+C	 2.4938647536	 2.3096482392	-0.9608847323	-0.311146
+C	 1.3474359754	 0.4566813541	 0.3397525459	 0.150881
+O	 0.3523941262	 0.3379021634	 1.0056591782	-0.249831
+H	 4.1938319213	 3.9131611276	-2.5627301667	 0.283702
+H	 0.9615677857	 2.6030591479	-3.2970042669	 0.112675
+H	 2.3630579631	 2.849400849	-4.4432108564	 0.115428
+H	 3.3684031195	 0.6697741915	-3.7857142947	 0.098029
+H	 1.062086499	-0.3049140436	-2.5756724838	 0.114726
+H	 2.591094462	-0.5371532844	-1.7262271541	 0.106537
+H	 0.444021675	 1.5750078484	-1.2048436446	 0.096825
+H	 2.0736210601	 3.2482098374	-0.5837406728	 0.105982
+H	 3.3373313932	 2.0406557602	-0.3115637219	 0.111549
+H	 2.319615583	 0.0184842339	 0.6741674485	 0.070156
+19
+0 2020	3.606309	1.2864368	1.1530096	3.3993	74.98	-0.25874	0.08276	0.3415	1126.8056	0.156148	-422.540015	-422.531846	-422.530901	-422.57249	31.671
+C	 0.2203278805	-0.1348045462	 0.4098889297	-0.486261
+C	 1.108968428	 0.2437711813	-0.742317771	 0.413275
+C	 0.5427192047	 0.3828679625	-2.1490508725	-0.359569
+C	 1.6538842592	 1.0809043994	-2.9357364465	 0.431702
+C	 1.5267058045	 1.4632272066	-4.3447359761	-0.254328
+O	 2.2946814213	 0.3204142083	-3.9627992978	-0.260648
+C	 2.5661358284	 1.8099137131	-1.9448109554	-0.32542
+C	 2.3138176152	 1.0870233828	-0.6379488358	-0.012716
+O	 2.4246746767	-0.3378931521	-0.7526103595	-0.293996
+H	-0.2010151988	-1.1350655663	 0.2610555362	 0.13018
+H	 0.7859545739	-0.1413246061	 1.3449171466	 0.130743
+H	-0.61361669	 0.5683928594	 0.5080418228	 0.119806
+H	 0.2966827272	-0.580842746	-2.6039925409	 0.124844
+H	-0.3695454569	 0.9922255815	-2.1221943613	 0.103582
+H	 0.6026251542	 1.2510916204	-4.8826977848	 0.108133
+H	 2.098456525	 2.3068778266	-4.7316909408	 0.108241
+H	 3.6080734551	 1.7580232728	-2.2722317677	 0.128118
+H	 2.288050265	 2.8668058452	-1.845512275	 0.105561
+H	 2.6517808266	 1.5091043767	 0.3059871998	 0.088751
+19
+0 2021	3.4990818	1.2875975	1.1741852	0.8477	74.65	-0.25672	0.07836	0.33508	1103.0884	0.157046	-422.539815	-422.531837	-422.530893	-422.571837	31.868
+O	 0.2429624342	-0.1060228651	 4.5668103717	-0.47331
+C	 0.3132310699	-0.3987362298	 3.2040677098	 0.402345
+C	 0.2326343469	-1.8316158388	 2.7404572077	-0.357994
+C	-0.9259663908	-0.8789615929	 2.4904326737	-0.079164
+C	-0.9915944209	-0.2066856202	 1.1279042471	-0.291234
+C	 0.4246764335	 0.3313255279	 0.919908043	 0.40639
+C	 0.8864483348	 0.9647421432	-0.3154879538	-0.254652
+O	 1.2474039664	-0.3866801154	-0.0162504298	-0.272771
+C	 1.0325545874	 0.5904830397	 2.2940948122	-0.354319
+H	 1.0762743236	-0.3707806037	 4.9712488591	 0.282049
+H	 0.8405593424	-2.1628720703	 1.9044891114	 0.133852
+H	 0.0755112961	-2.569827605	 3.5191849632	 0.110339
+H	-1.8380753668	-1.0386136963	 3.0530101537	 0.092535
+H	-1.2694973619	-0.8760993597	 0.3081940643	 0.113239
+H	-1.713243971	 0.6192548896	 1.1518230674	 0.106352
+H	 0.1959437491	 1.0911226593	-1.1492977484	 0.110423
+H	 1.7031155044	 1.685738776	-0.2833362155	 0.110128
+H	 2.1206677106	 0.4743389996	 2.266280559	 0.105126
+H	 0.8009882622	 1.605422932	 2.6396225341	 0.110667
+19
+0 2022	3.6054626	1.2885471	1.178168	2.1811	74.89	-0.21917	0.07534	0.29451	1106.6361	0.156525	-422.525761	-422.517733	-422.516788	-422.557821	32.274
+O	-2.9569944948	-1.1513860963	 1.5878669629	-0.468913
+C	-1.7611327296	-1.3297529014	 0.8957341169	 0.363148
+C	-1.5264501454	-2.5925945042	 0.0852601098	-0.388207
+C	-1.7310096245	-1.2507169045	-0.5966109664	 0.058205
+O	-0.6087161502	-0.5317166566	-1.03312808	-0.289586
+C	 0.2840825012	-0.4322654257	 0.0666706142	 0.445566
+C	 1.4572536564	 0.4672349934	-0.1211594263	-0.34371
+C	 1.6527882098	-1.0401975867	-0.1038536643	-0.31771
+C	-0.5262694887	-0.5614739128	 1.3532447025	-0.378085
+H	-2.9533821219	-1.7439780598	 2.3475802258	 0.282937
+H	-0.545996278	-3.0560716561	 0.0754508719	 0.121698
+H	-2.3667494479	-3.2764809567	 0.0273684246	 0.114384
+H	-2.6112098293	-1.0703200896	-1.2007263921	 0.111211
+H	 1.5369569231	 0.9687941367	-1.0790217593	 0.127515
+H	 1.8028216097	 1.0482056141	 0.7272684297	 0.11549
+H	 1.859075885	-1.5223456839	-1.0526979003	 0.121874
+H	 2.1356706602	-1.489890067	 0.7581755841	 0.107796
+H	 0.043074364	-1.0547455112	 2.1473939095	 0.100056
+H	-0.8590765591	 0.4157247885	 1.7214622569	 0.116331
+19
+0 2023	3.0646986	1.633639	1.3197261	1.511	74.86	-0.23707	0.08072	0.31779	1019.4972	0.156632	-422.510924	-422.503156	-422.502212	-422.542643	31.146
+C	 0.3441939496	 0.2942887806	 0.1871747901	-0.458698
+C	 1.4962710158	-0.5994442533	-0.1958859026	 0.40026
+C	 1.5769993755	-1.2590166898	-1.5506381626	-0.358233
+C	 2.5561889379	-0.1734226591	-1.1755576757	 0.035994
+O	 3.8636726847	-0.5790135725	-0.8661938138	-0.255486
+C	 4.1901491197	-0.3504456934	 0.4785387186	 0.074162
+C	 4.4325924747	-1.56839525	 1.330522513	-0.32586
+C	 3.1417018366	-0.8017568215	 1.4573622984	 0.05776
+O	 2.0075778683	-1.3779281768	 0.8672624684	-0.290382
+H	 0.6392263182	 1.0010067226	 0.9706216955	 0.119162
+H	-0.0058592772	 0.8704608624	-0.6746873446	 0.11653
+H	-0.4943896083	-0.3009063774	 0.5631044766	 0.129198
+H	 1.9700505111	-2.2686419465	-1.5740833975	 0.127919
+H	 0.8119641402	-1.0333659488	-2.2858550782	 0.110644
+H	 2.4880246432	 0.8013037221	-1.6561823472	 0.088782
+H	 4.7578689157	 0.5598951163	 0.6602615068	 0.091144
+H	 4.3742041081	-2.525650283	 0.8257939617	 0.132156
+H	 5.1551867925	-1.5010943404	 2.136310882	 0.113539
+H	 2.9458276836	-0.2236422214	 2.3580092212	 0.091409
+19
+0 2024	3.0383564	1.5623587	1.2741103	3.3175	74.26	-0.24325	0.08692	0.33016999999999996	1044.1027	0.157389	-422.540888	-422.533042	-422.532098	-422.57279	30.786
+C	 0.1725850296	-0.4528982823	 0.0008508211	-0.464159
+C	 1.0623911992	 0.5601247682	-0.6856598819	 0.390124
+C	 0.3510516891	 1.477028837	-1.6686957541	-0.310762
+C	 1.2437473914	 2.2654015636	-2.6027650277	 0.051542
+O	 2.2190525052	 3.1342773034	-2.0231723378	-0.245709
+C	 2.6796306947	 1.9830086835	-2.734341831	 0.050355
+C	 3.3504156202	 0.8893977458	-1.9331814173	-0.278311
+C	 2.5068192557	 0.3029097485	-0.8218136992	 0.000202
+O	 2.0143285889	 1.1974242088	 0.1802743671	-0.282856
+H	 0.7436249555	-1.0269192442	 0.7345922167	 0.128635
+H	-0.6475248726	 0.0499186727	 0.5258275585	 0.125985
+H	-0.2684439555	-1.1467923864	-0.7229628221	 0.117582
+H	-0.323231809	 0.8678530116	-2.2850900406	 0.105807
+H	-0.2895458006	 2.1700709437	-1.1069933909	 0.122898
+H	 0.7240066919	 2.699447671	-3.4588506459	 0.087071
+H	 3.1674347177	 2.2166976334	-3.6822482913	 0.087279
+H	 3.6248036339	 0.0782501741	-2.6209409958	 0.107108
+H	 4.2908530713	 1.2689583397	-1.5126041189	 0.125877
+H	 2.8916708832	-0.6365716519	-0.4190147691	 0.081331
+19
+0 2025	2.7124452	1.6458885	1.3224736	1.7087	73.54	-0.2479	0.08643	0.33433	1016.796	0.157962	-422.540875	-422.533034	-422.532089	-422.573728	30.968
+O	-0.8302400489	 0.7512740612	-0.0451788789	-0.473066
+C	-1.7298759553	 0.3480189163	 0.9545305417	 0.423346
+C	-3.1329295629	 0.8323441534	 0.7633053514	-0.332695
+C	-2.8083046913	-0.6342662359	 0.5451076519	-0.0805
+C	-3.259288788	-1.7279628537	 1.5015385649	-0.283048
+C	-2.1965893427	-2.1081108422	 2.5132158657	 0.062404
+O	-0.8501704321	-2.2223231218	 2.0305624171	-0.264925
+C	-1.1666545691	-1.1503098335	 2.9292646195	 0.061881
+C	-1.1279843845	 0.2489712777	 2.3547326137	-0.339142
+H	-0.2306914164	 0.0117462844	-0.1998248871	 0.282921
+H	-3.7014112583	 1.1059505981	 1.6478584407	 0.1051
+H	-3.33143405	 1.4363225917	-0.1144711174	 0.120907
+H	-2.7485387197	-0.9262230158	-0.4978481966	 0.092727
+H	-4.1628460855	-1.4362232195	 2.0532819365	 0.106854
+H	-3.5321743859	-2.6226052619	 0.9307715183	 0.114823
+H	-2.4817246096	-2.8939717984	 3.214044883	 0.086827
+H	-0.7294548368	-1.2602369996	 3.9226193946	 0.086999
+H	-1.6320691407	 0.9245766311	 3.05739955	 0.10959
+H	-0.0899308023	 0.5925954883	 2.2936682012	 0.118997
+19
+0 2026	3.0038047	1.5340463	1.269554	1.7557	73.8	-0.21717	0.07393	0.2911	1037.6538	0.157542	-422.517224	-422.509317	-422.508372	-422.549306	31.595
+O	-0.819307755	 0.8529173433	 0.1478194557	-0.460459
+C	-1.7762346533	 0.4131788988	 1.0788790022	 0.353353
+C	-3.1861299635	 0.7261287983	 0.6541091545	-0.351448
+C	-2.6863189938	-0.7085061629	 0.6559251295	 0.042282
+O	-3.1943575557	-1.6675299801	 1.5382111096	-0.25794
+C	-2.8529139147	-1.6048577289	 2.8942091012	 0.122561
+C	-3.4340696585	-0.5468991618	 3.8003185401	-0.32694
+C	-1.9558369733	-0.5362572627	 3.4525752805	-0.06571
+C	-1.3264654476	 0.4979828692	 2.5289008892	-0.30925
+H	-0.0709300371	 0.24566858	 0.182168929	 0.277171
+H	-3.9030006647	 1.0315024854	 1.4067176631	 0.118503
+H	-3.3000244877	 1.2062239675	-0.3111345518	 0.123654
+H	-2.4959761906	-1.1550683992	-0.3149502045	 0.104216
+H	-2.7620969108	-2.6126961459	 3.2869870231	 0.097917
+H	-4.0763236897	 0.2009225598	 3.3504165524	 0.120713
+H	-3.7204889937	-0.8296685504	 4.8077459227	 0.111897
+H	-1.2949688776	-0.8546871818	 4.2532198349	 0.09172
+H	-1.4597620598	 1.5157773199	 2.9164981336	 0.111968
+H	-0.2440921128	 0.3164298714	 2.522412045	 0.095792
+19
+0 2027	2.2092026	2.0656886	1.3750801	2.1099	73.91	-0.22574	0.06825	0.29399	993.7531	0.156068	-422.519726	-422.51149	-422.510546	-422.551734	32.897
+C	 0.0150883049	-0.1266229729	 0.0233046938	-0.479396
+C	 1.5246248427	-0.0891355873	 0.0719584456	 0.227788
+C	 2.2956118346	 0.9006938522	-0.7868211276	-0.379786
+C	 2.4114343351	-0.5808122885	-1.0442064074	 0.071819
+O	 3.5201737257	-1.276177208	-0.5183737894	-0.26054
+C	 3.3963414061	-1.3827341305	 0.8762041092	 0.063066
+C	 3.5776859093	-0.1446990161	 1.7378626278	-0.395847
+C	 2.1936220252	-0.6225016327	 1.3452971663	 0.296965
+O	 1.3596864639	-1.1736623157	 2.3181875028	-0.457586
+H	-0.4247578281	 0.6191346176	 0.6962767092	 0.109555
+H	-0.3418150675	 0.0953265279	-0.9867937519	 0.113889
+H	-0.3675524842	-1.1072042554	 0.3176712783	 0.13564
+H	 1.7103208027	 1.4714565625	-1.5017513702	 0.109385
+H	 3.1479134981	 1.4377869194	-0.3890973912	 0.116205
+H	 2.047363893	-1.0130136943	-1.9706734879	 0.098865
+H	 3.680974537	-2.3529977369	 1.2679819213	 0.110432
+H	 3.8583083145	-0.3452131142	 2.7673112642	 0.115063
+H	 4.0033124473	 0.7574225853	 1.3167956596	 0.119278
+H	 1.0630133194	-0.4607405723	 2.8946112675	 0.285206
+19
+0 2028	2.1859204	2.0085453	1.4222258	1.2909	73.83	-0.24384	0.08023	0.32406999999999997	992.2854	0.156577	-422.54893	-422.540698	-422.539754	-422.581011	32.523
+C	 0.2906620215	 0.7285813836	 0.4073231982	-0.491063
+C	 1.5923112263	 0.0330616538	 0.1263104719	 0.312862
+O	 1.6984743518	-0.6612477026	-1.1393588507	-0.313259
+C	 2.5966271784	 0.4269717206	-0.8720819866	-0.00802
+C	 3.9958437446	-0.0200361581	-0.4621066721	-0.267991
+C	 3.7736764651	-0.7757675734	 0.8458252514	-0.112195
+C	 3.2769078075	 0.0165651635	 2.0468687397	-0.330319
+C	 2.3015822585	-0.7433194116	 1.2078618417	 0.375986
+O	 1.6270534252	-1.8096380608	 1.7971627951	-0.472906
+H	 0.4177357953	 1.485464213	 1.1881684654	 0.125897
+H	-0.0942570421	 1.2091256437	-0.4950552072	 0.127018
+H	-0.4521208508	 0.0071815097	 0.7627545712	 0.134155
+H	 2.4609841422	 1.2975079851	-1.5100306044	 0.090838
+H	 4.4330131385	-0.6614829154	-1.2346640094	 0.113805
+H	 4.6584036402	 0.8456968637	-0.3407147005	 0.102064
+H	 4.3498303991	-1.6697810729	 1.0525388176	 0.091143
+H	 3.4888245344	-0.4065300056	 3.0224428364	 0.124093
+H	 3.2850024823	 1.102353583	 2.0085052022	 0.108809
+H	 1.443503252	-2.4484010993	 1.0974226999	 0.289085
+19
+0 2029	2.1898505	2.0320461	1.4043695	0.0445	73.9	-0.25485	0.08249	0.33734000000000003	1001.6568	0.155823	-422.548485	-422.540087	-422.539143	-422.580816	32.41
+C	 0.0677374203	 0.8249455846	-0.5740549289	-0.505046
+C	 1.1754646676	 0.8741872886	 0.4390710246	 0.352767
+O	 1.0912329971	 1.885359181	 1.4631165276	-0.304901
+C	 1.054983581	 0.5024510847	 1.855940879	-0.008432
+C	 2.3762386196	-0.0151877952	 2.4071001115	-0.281781
+C	 3.3113727541	 0.0867540007	 1.2101992337	-0.00843
+O	 2.9459832496	-0.7680010041	 0.112955946	-0.304901
+C	 2.6183721406	 0.6337300921	 0.0351281968	 0.352767
+C	 3.2595405043	 1.4316569972	-1.0640186237	-0.505045
+H	-0.9033105145	 0.9439248874	-0.0874739833	 0.130827
+H	 0.1762861039	 1.6251453782	-1.3141439179	 0.12834
+H	 0.0827280393	-0.1326132534	-1.1047454417	 0.136964
+H	 0.1110782931	 0.1720505999	 2.2823445324	 0.094418
+H	 2.7265690627	 0.5992133257	 3.2432800273	 0.115952
+H	 2.2876404309	-1.0495692705	 2.7558423778	 0.115951
+H	 4.3812990708	 0.2149294084	 1.35432006	 0.094418
+H	 3.1738473808	 2.5026811393	-0.8534469753	 0.136964
+H	 4.317073454	 1.1738882134	-1.1590466357	 0.130827
+H	 2.7749363246	 1.2349122921	-2.0264553002	 0.12834
+19
+0 2030	2.177892	2.0523621	1.3715171	1.0098	73.84	-0.22597	0.06781	0.29378	994.1708	0.157158	-422.536454	-422.528431	-422.527487	-422.568194	32.718
+O	 1.9884706403	 0.5139549226	 0.6349721384	-0.469078
+C	 0.9590622264	 0.554725462	 1.5823854817	 0.311573
+C	 0.8203509418	-0.5267206777	 2.6177033599	-0.363064
+C	 1.2626506428	 0.8758064654	 3.0144280231	-0.076408
+C	 0.2429101488	 1.9067713085	 3.5186619378	-0.254692
+C	-0.6799214838	 2.2303135525	 2.3401927441	-0.109809
+C	-1.5937319224	 1.1443480337	 1.7877858908	-0.348741
+C	-0.26440892	 1.3784030992	 1.1534462799	 0.363835
+O	-0.251242563	 1.8109569905	-0.167939992	-0.474224
+H	 1.7536330734	-0.1508317822	-0.0232347143	 0.28865
+H	-0.1586968454	-0.8988356666	 2.8984608019	 0.113997
+H	 1.6033704111	-1.2784399058	 2.6291304832	 0.112529
+H	 2.2933386199	 0.974528681	 3.3363057659	 0.09632
+H	-0.3064500982	 1.5493509027	 4.397949521	 0.103074
+H	 0.7731984491	 2.8141860699	 3.8264022172	 0.10621
+H	-1.0047218775	 3.2554806692	 2.2012980061	 0.089883
+H	-1.7916877715	 0.2443260311	 2.3603402186	 0.108522
+H	-2.4446598955	 1.4994949075	 1.2154449301	 0.119608
+H	 0.6657503935	 2.0431662165	-0.3634955635	 0.281815
+19
+0 2031	2.7916781	1.8062521	1.4917933	3.1449	73.48	-0.24249	0.07786	0.32035	959.0004	0.15806	-422.535633	-422.528241	-422.527296	-422.566925	29.835
+C	 0.018683746	-0.0470353967	-0.291429204	-0.487745
+C	 1.515229019	 0.0196715756	-0.1393501546	 0.416994
+O	 2.1224886292	-0.953658337	 0.7077319008	-0.283049
+C	 2.4355365956	-0.9900984533	-0.6931666902	-0.023349
+C	 3.8278227236	-0.5219165151	-1.108496431	-0.246867
+C	 3.9378767481	 0.9954034891	-0.9186114011	 0.092275
+C	 2.7115571238	 1.7559110803	-1.4794741158	-0.255467
+C	 2.1505333942	 1.4171196252	-0.0793383991	 0.006008
+O	 3.4984611014	 1.3211028651	 0.430776696	-0.276714
+H	-0.475101558	 0.3575975141	 0.5992625944	 0.130177
+H	-0.3153291613	 0.5405744501	-1.1539577869	 0.122284
+H	-0.3116789174	-1.0800371007	-0.425622039	 0.130822
+H	 2.0332947994	-1.8617394534	-1.2090039457	 0.087476
+H	 4.5908934786	-1.0305765034	-0.5090208624	 0.123062
+H	 4.0036243294	-0.7835823888	-2.1592368967	 0.100142
+H	 4.9381650168	 1.3806210012	-1.1332312177	 0.078166
+H	 2.9144782309	 2.8205674699	-1.6020969257	 0.112394
+H	 2.2000709325	 1.3561069708	-2.3588319301	 0.098456
+H	 1.5462878483	 2.146619257	 0.467393419	 0.074936
+19
+0 2032	2.7203611	1.8106315	1.5152671	0.5207	73.5	-0.23413	0.07464	0.30877	945.463	0.158814	-422.539321	-422.53205	-422.531106	-422.570358	30.116
+O	 0.3465201915	-0.4170569503	 0.4155116265	-0.474738
+C	-0.9901993453	-0.0137917884	 0.5100121566	 0.394486
+C	-1.6239779687	 0.2394663924	 1.8501927208	-0.358508
+C	-1.9739135099	-1.0125205147	 1.0542420787	-0.075767
+C	-3.3048387631	-1.1376383994	 0.3045399879	-0.239646
+C	-3.3156563203	-0.1922523287	-0.9001756605	 0.102372
+C	-2.0257711003	-0.2931436832	-1.7468446968	-0.24741
+C	-1.5253945391	 0.7299643038	-0.7076390412	 0.017028
+O	-2.8961237059	 1.135027474	-0.4496736517	-0.295167
+H	 0.9005489616	 0.3551831447	 0.5771298615	 0.281937
+H	-0.9926918475	 0.0948266875	 2.7203876296	 0.106084
+H	-2.367168711	 1.0241987903	 1.925006672	 0.128891
+H	-1.5462369301	-1.9323715585	 1.4375956859	 0.094898
+H	-3.4417880772	-2.1674896011	-0.0463460238	 0.101846
+H	-4.1529961653	-0.9070720254	 0.9600699301	 0.107231
+H	-4.2805662093	-0.1626422006	-1.4129238994	 0.074668
+H	-1.5067467825	-1.2516812578	-1.8048419503	 0.110161
+H	-2.1550546675	 0.1415870693	-2.739060127	 0.105225
+H	-0.8901921803	 1.5662386862	-1.0180143487	 0.066407
+19
+0 2033	2.7140414	1.8284677	1.520274	0.4361	73.66	-0.22862	0.06805	0.29667	941.7251	0.158079	-422.52268	-422.515183	-422.514239	-422.554122	30.585
+O	 0.3796582077	 0.7410655346	 0.7240717924	-0.47825
+C	-0.971391341	 0.683648544	 0.351381428	 0.399734
+C	-1.8943500291	-0.3863836413	 0.8826271872	-0.402305
+C	-2.0839499662	 1.0811793005	 1.2754125624	 0.026701
+O	-3.1293048168	 1.8675810357	 0.7634316605	-0.270128
+C	-2.9073849198	 2.342045058	-0.5645660176	 0.131006
+C	-1.4366864197	 2.7956685196	-0.7961314895	-0.239402
+C	-1.1419867752	 1.280719094	-1.037499453	-0.065847
+C	-2.6092833688	 1.1700148973	-1.5360803353	-0.264455
+H	 0.4572461548	 0.5002813999	 1.6523584491	 0.280604
+H	-2.6129662361	-0.8705416867	 0.23249507	 0.123636
+H	-1.5025501823	-1.0302033631	 1.6657542447	 0.102888
+H	-1.8622766524	 1.3393623924	 2.3082309871	 0.09217
+H	-3.7302549685	 3.0267594347	-0.7726947936	 0.075511
+H	-1.3525461048	 3.390847346	-1.708306917	 0.098695
+H	-0.9154274575	 3.288935993	 0.0265067861	 0.108073
+H	-0.328533339	 0.9764289165	-1.6978623563	 0.075881
+H	-2.6835826508	 1.4957522864	-2.5766622205	 0.104297
+H	-3.1665189346	 0.2402316384	-1.4116369748	 0.101193
+19
+0 2034	2.6697453	1.872137	1.3279071	0.7973	74.05	-0.23323	0.07328	0.30651	996.0179	0.157566	-422.526119	-422.51831	-422.517366	-422.558337	30.211
+C	 1.3083686421	 1.7076287095	 1.1307311861	-0.482854
+C	 2.1640921716	 0.7506295585	 0.3377204221	 0.28388
+C	 2.5166217018	 1.022209012	-1.1161538704	-0.365441
+C	 3.5898791843	 1.0090748331	-0.0572732162	 0.064825
+O	 4.3744153212	-0.1627608691	 0.0182091748	-0.272768
+C	 3.5684956425	-1.2278564442	 0.4936431484	 0.0546
+C	 3.5547523428	-1.4388978674	 2.0237320653	-0.09936
+O	 2.191172181	-0.9657411992	 2.1202064717	-0.293066
+C	 2.1197046088	-0.7261831488	 0.6955734348	 0.023417
+H	 1.4331039133	 1.5304390413	 2.2024618865	 0.139727
+H	 1.5770729953	 2.7465206836	 0.916192335	 0.114148
+H	 0.2467146141	 1.5830166333	 0.8874322819	 0.118391
+H	 2.511780513	 0.2001316147	-1.8258010256	 0.11424
+H	 2.2051126664	 1.9775889447	-1.526660288	 0.113654
+H	 4.1376020903	 1.9050741261	 0.2124920331	 0.10125
+H	 3.7469802943	-2.1153613425	-0.1156380232	 0.092341
+H	 3.6445795404	-2.477466395	 2.3630400017	 0.103864
+H	 4.2633984648	-0.8062477016	 2.569537335	 0.110547
+H	 1.2881532421	-1.2752397091	 0.2387742169	 0.078606
+19
+0 2035	2.6748003	1.8168168	1.2900682	1.5879	73.66	-0.24311	0.07359	0.3167	1013.5332	0.157781	-422.540263	-422.532439	-422.531495	-422.572599	30.037
+C	 0.2447857214	 0.6365550027	 0.3663038261	-0.497622
+C	 1.5588684949	 0.0340054332	-0.0387577538	 0.395731
+O	 1.7402974264	-0.3279604073	-1.4180773182	-0.30454
+C	 2.5979096715	 0.6817746164	-0.8565242867	-0.009192
+C	 3.9847514314	 0.154235679	-0.5339695363	-0.270218
+C	 3.7535575192	-0.9315034972	 0.5422536051	-0.074327
+C	 3.8588989444	-0.4811316583	 2.0183004821	-0.077628
+O	 2.4268171246	-0.5370427465	 2.2009509915	-0.296317
+C	 2.2329573091	-0.9994915042	 0.8452258063	 0.058286
+H	 0.3205911594	 1.0407513901	 1.3798058608	 0.142231
+H	-0.048401034	 1.4355377094	-0.3191055444	 0.125776
+H	-0.5440346925	-0.1237804866	 0.3626815162	 0.127353
+H	 2.46734436	 1.6773271355	-1.275386001	 0.092297
+H	 4.4545554237	-0.2517605509	-1.4353274371	 0.115973
+H	 4.6314544966	 0.9582122628	-0.1641796223	 0.10256
+H	 4.2515255969	-1.8742014453	 0.3195585778	 0.084757
+H	 4.3762030777	-1.1801710188	 2.6864361488	 0.103848
+H	 4.2561420608	 0.5288249324	 2.1831228089	 0.099485
+H	 1.7309047786	-1.9735241765	 0.8132768963	 0.081548
+19
+0 2036	2.737237	1.7618769	1.2771541	1.1315	73.81	-0.24555	0.07452	0.32006999999999997	1017.9514	0.157739	-422.541067	-422.533303	-422.532359	-422.573242	30.027
+C	 0.1917756228	-0.5961335715	-0.4143564201	-0.48948
+C	 1.5352078821	-0.039782069	-0.0275086942	 0.412307
+O	 1.7095112125	 1.3751164799	-0.2190840421	-0.30716
+C	 2.5437350469	 0.4790198485	-0.9721034194	-0.017188
+C	 3.9457414757	 0.3909926563	-0.3986678311	-0.263818
+C	 3.754657116	-0.2609970926	 0.982424211	 0.134104
+O	 3.988158051	-1.6915176925	 0.9479954504	-0.292895
+C	 2.6275883584	-1.9789988114	 1.3246621108	-0.090324
+C	 2.2385154672	-0.4896873402	 1.2407094883	-0.155171
+H	-0.5587666899	-0.3492678073	 0.3448615416	 0.128335
+H	-0.1376726439	-0.1720807543	-1.3659428242	 0.132649
+H	 0.2251320194	-1.6859035532	-0.5115394531	 0.124995
+H	 2.378959101	 0.4905457988	-2.0474305792	 0.090476
+H	 4.6017106265	-0.2388853121	-1.0074070183	 0.117557
+H	 4.3917092434	 1.3884983688	-0.3309981695	 0.111758
+H	 4.3385920262	 0.2124704802	 1.7781251457	 0.077565
+H	 2.1399573575	-2.6620523871	 0.6180382731	 0.09942
+H	 2.5650833037	-2.4100950862	 2.3321181573	 0.1002
+H	 1.7936019934	-0.0512685551	 2.1360047133	 0.08667
+19
+0 2037	2.6265062	1.8797698	1.320185	2.3752	73.59	-0.23417	0.0634	0.29757	991.0022	0.158819	-422.539128	-422.531665	-422.53072	-422.57089	29.867
+O	 0.2901433512	-0.0829853608	 0.3953702607	-0.473016
+C	-0.5695962284	 0.5029189522	 1.3131628856	 0.428856
+C	-1.9295048504	-0.074476279	 1.4898910307	-0.341249
+C	-1.7861498409	 1.3372726825	 0.937430315	-0.114187
+C	-1.9598873323	 2.4786597046	 1.936431817	-0.259287
+C	-0.7207337143	 2.418046466	 2.8605805532	-0.065133
+C	 0.5446888684	 3.1541174524	 2.3600728016	-0.079678
+O	 1.2396319195	 1.9123756667	 2.0947239878	-0.308589
+C	 0.0871915564	 1.1400704017	 2.5210307643	 0.030444
+H	 1.0317434993	 0.533244426	 0.313085525	 0.288428
+H	-2.2062205073	-0.8472614998	 0.7809663454	 0.125133
+H	-2.3321489254	-0.2132890344	 2.4905340591	 0.105854
+H	-2.042564841	 1.4890697603	-0.1044974145	 0.09016
+H	-2.0148248541	 3.4470476868	 1.4275845241	 0.101749
+H	-2.8870756118	 2.3751587738	 2.5122134974	 0.101569
+H	-0.9482380321	 2.5913145975	 3.9124014418	 0.079299
+H	 0.4113424333	 3.7542556915	 1.4511872846	 0.102017
+H	 1.0747155211	 3.7528723852	 3.1095759152	 0.107003
+H	 0.3565783687	 0.4349494269	 3.314979406	 0.080627
+19
+0 2038	2.6961075	1.7917868	1.3035769	2.6377	73.91	-0.24232	0.07197	0.31429	1001.1673	0.158367	-422.537481	-422.529859	-422.528915	-422.569342	30.275
+O	 0.3086322229	 0.1400721742	 0.1767828372	-0.468483
+C	-0.4737082373	 0.6052058199	 1.2375619728	 0.404531
+C	-1.8062503529	-0.0398930007	 1.5084337426	-0.356097
+C	-1.7402959916	 1.3662897739	 0.9349554673	-0.073332
+C	-1.9105114633	 2.5097218978	 1.9302737059	-0.257535
+C	-0.6280190193	 2.5043371798	 2.7807056753	 0.141158
+O	 0.3855561926	 3.3858909281	 2.2424769313	-0.293143
+C	 1.3005750261	 2.2899207413	 2.0264482438	-0.084231
+C	 0.2290749808	 1.2577066378	 2.4191458911	-0.172926
+H	 0.6683666078	-0.7187752388	 0.4247233238	 0.282352
+H	-2.1025945275	-0.828942327	 0.8256758329	 0.113284
+H	-2.1390342979	-0.1736253832	 2.5347012951	 0.105337
+H	-2.0486803815	 1.4956394747	-0.0955938774	 0.096119
+H	-1.9917573335	 3.4790057186	 1.4300151069	 0.119912
+H	-2.8057622687	 2.380391133	 2.5496670266	 0.095649
+H	-0.8020521585	 2.7102517042	 3.8430991962	 0.069038
+H	 1.6568602947	 2.2378188246	 0.9927021117	 0.117502
+H	 2.1589064719	 2.3397277355	 2.7088601987	 0.090576
+H	 0.494018575	 0.5605512062	 3.2181276481	 0.070288
+19
+0 2039	2.6351748	1.864743	1.3384021	2.0653	73.98	-0.22924	0.07021	0.29945	989.5732	0.157806	-422.530975	-422.523314	-422.52237	-422.562843	30.693
+O	 0.4412969173	 0.4885070577	 0.8213896138	-0.463876
+C	-0.8752875036	 0.7142634123	 0.4177357152	 0.360319
+C	-1.985461946	-0.1522235129	 0.976636197	-0.374145
+C	-1.85175091	 1.3017536638	 1.3884004488	 0.050016
+O	-2.7121091718	 2.2105292001	 0.7521310888	-0.268146
+C	-2.195388091	 2.4708714765	-0.5499131494	 0.132507
+C	-1.0830866677	 3.5545989145	-0.658672718	-0.243245
+C	-0.1371267234	 2.5005035085	-1.3011615456	-0.236524
+C	-1.1476514598	 1.3807692003	-0.9319202706	-0.145458
+H	 0.745025549	-0.3253302413	 0.403735398	 0.283366
+H	-2.8191390545	-0.4231499667	 0.3365036203	 0.115076
+H	-1.6914093648	-0.8952304438	 1.7110980116	 0.113173
+H	-1.5783838947	 1.5597223689	 2.4054837182	 0.107535
+H	-3.0411567966	 2.6143425507	-1.2255592389	 0.079484
+H	-1.3234845479	 4.4324583096	-1.2623410057	 0.099267
+H	-0.7574389395	 3.888380167	 0.329089573	 0.114484
+H	-0.0322145955	 2.6231123509	-2.3814459303	 0.097335
+H	 0.8543843599	 2.3947097108	-0.8580629185	 0.11384
+H	-1.4045142592	 0.6630640731	-1.7166508775	 0.064992
+19
+0 2040	2.0933647	1.5837016	1.5082672	1.5422	75.26	-0.23933	-0.02265	0.21667999999999998	1038.9361	0.154579	-422.541513	-422.532352	-422.531408	-422.575039	34.329
+C	-0.0156103076	-0.0943363045	-0.1440012814	-0.448968
+C	 1.5102379721	-0.0531977106	-0.0031925058	 0.141963
+C	 2.2369696711	-0.1140324871	-1.4032773697	-0.295208
+C	 2.6958131743	 1.3362709379	-1.2006779729	-0.103157
+C	 3.5555277183	 1.4168931458	 0.0408022543	-0.346483
+C	 2.0622420377	 1.3709311745	 0.1825848769	 0.384447
+O	 1.3357659726	 2.3955930226	 0.7585185506	-0.462227
+C	 1.931034846	-1.0787127733	 1.021744831	 0.105921
+O	 2.3847868004	-0.8175250848	 2.1083184199	-0.260797
+H	-0.503447012	 0.183423237	 0.7947441796	 0.131582
+H	-0.3421303364	 0.6133611973	-0.9114259094	 0.133277
+H	-0.3555010743	-1.095490008	-0.4309356903	 0.116699
+H	 3.042374884	-0.849950525	-1.5003551108	 0.101781
+H	 1.5300337219	-0.2541095329	-2.22375695	 0.109018
+H	 2.7190625863	 2.1009619383	-1.9662854976	 0.097333
+H	 4.1888253624	 0.5863034437	 0.3415140662	 0.112904
+H	 3.9741846878	 2.399702422	 0.2328778144	 0.116061
+H	 1.5462121275	 2.4107937277	 1.699398193	 0.294034
+H	 1.7749151378	-2.1392289305	 0.7082716219	 0.071819
+19
+0 2041	2.6146271	1.4375542	1.2555783	2.4595	76.28	-0.26326	-0.03603	0.22723	1089.1618	0.155143	-422.548663	-422.539742	-422.538798	-422.581949	33.788
+C	 2.2246978702	 1.3436971885	-2.6480603327	-0.511647
+C	 0.826015039	 0.9191739398	-2.2900092792	 0.318469
+C	-0.3002551055	 0.9361980036	-3.2888629115	-0.329779
+C	-0.4558885541	 1.7243386735	-2.0207912073	-0.093782
+C	-0.8709359271	 0.7689385454	-0.9053142347	-0.305874
+C	 0.4604628332	-0.0592641659	-1.1504954975	 0.270024
+O	 0.3424792741	-1.4056071827	-1.4876839592	-0.485005
+C	 1.3589623447	 0.0949705621	 0.0521549424	 0.108899
+O	 1.8557789174	-0.8552522403	 0.6091664092	-0.285062
+H	 2.7871081714	 1.7089720987	-1.7813584308	 0.115879
+H	 2.7854058779	 0.506174172	-3.0793772313	 0.135113
+H	 2.209086278	 2.1463278363	-3.3922247839	 0.122674
+H	-0.0883339947	 1.5163075908	-4.181727452	 0.111287
+H	-0.903755669	 0.0495737664	-3.4621689313	 0.126171
+H	-0.5867596394	 2.7990414368	-2.0102196434	 0.089172
+H	-0.9256370036	 1.2202550595	 0.0893356771	 0.105531
+H	-1.7759942394	 0.1814400313	-1.0811180133	 0.118047
+H	 0.8539017624	-1.8932609056	-0.8217948097	 0.289813
+H	 1.5183920145	 1.13076494	 0.414056969	 0.100071
+19
+0 2042	2.3209185	1.4707208	1.3866767	2.6896	75.42	-0.24495	-0.03327	0.21168	1073.1083	0.153763	-422.529944	-422.520647	-422.519703	-422.563819	34.359
+C	 2.8479888943	-0.8030032165	-0.7667392584	-0.496864
+C	 2.4654767956	-0.1350308058	 0.5208507044	 0.22601
+C	 3.4317234537	 0.0625697224	 1.6836862601	-0.361374
+C	 2.718498912	 1.2389094092	 1.1010132926	 0.058761
+O	 1.3985182909	 1.3458726925	 1.6447525823	-0.335543
+C	 1.0131568058	 0.0858933774	 1.0234423339	 0.265382
+C	-0.0205067193	 0.3086293865	-0.0661259634	-0.442811
+C	 0.5461985368	-0.9369542764	 2.0470015435	 0.12419
+O	-0.0766964567	-1.928447611	 1.7626202958	-0.256766
+H	 2.7584452291	-1.8924055283	-0.6873381126	 0.136338
+H	 2.2197470229	-0.4741963632	-1.6001568052	 0.127172
+H	 3.8879348395	-0.5769031051	-1.0229029807	 0.123974
+H	 3.2125574048	-0.2568783923	 2.6970392393	 0.119528
+H	 4.4732164678	-0.0430990169	 1.3933978897	 0.117787
+H	 3.1768271559	 2.1371873871	 0.7033360642	 0.107696
+H	-0.3114591515	-0.6474046337	-0.5082857289	 0.141899
+H	-0.9122181513	 0.7729666512	 0.3647762856	 0.132343
+H	 0.3727959517	 0.9704226253	-0.8413289008	 0.121853
+H	 0.8471054878	-0.7098980423	 3.0924423487	 0.090424
+19
+0 2043	2.4334273	1.3962928	1.3171428	3.2175	75.55	-0.2379	-0.02293	0.21497	1095.6531	0.153976	-422.53931	-422.530044	-422.529099	-422.573032	34.251
+C	 2.3805166624	-1.3483926826	-1.0349351124	-0.509777
+C	 2.3224128978	-0.4962721012	 0.1903875623	 0.378234
+O	 3.3623870108	-0.6406181358	 1.1682735962	-0.287752
+C	 3.0925631784	 0.6712935162	 0.6516046174	-0.037746
+C	 1.9114138055	 1.2246241782	 1.4502806709	-0.308062
+C	 1.0452247873	-0.0080944565	 0.9599611889	 0.148908
+C	-0.1192976347	 0.3845723025	 0.0610715242	-0.462534
+C	 0.6219740426	-0.9491714361	 2.0655058751	 0.116801
+O	-0.5154863165	-1.3015151441	 2.2630268052	-0.263152
+H	 2.0852721215	-2.378651534	-0.8067948539	 0.138373
+H	 1.7091585313	-0.9691553626	-1.8107272704	 0.133078
+H	 3.3996538011	-1.3664162864	-1.4300746499	 0.138877
+H	 3.9238865732	 1.1985906244	 0.1974760545	 0.107698
+H	 2.0855615443	 1.3156059211	 2.5255833993	 0.117824
+H	 1.5085492147	 2.1634644329	 1.0640795703	 0.117121
+H	-0.8866148699	 0.9070758808	 0.6385428715	 0.13478
+H	 0.2135659465	 1.0428092792	-0.7479611882	 0.109478
+H	-0.590855311	-0.4981265973	-0.3797275544	 0.131616
+H	 1.4566984148	-1.3066890189	 2.7028237033	 0.096236
+19
+0 2044	2.8393165	1.4830801	1.2679271	2.5551	74.62	-0.23792	0.07318	0.3111	1066.6058	0.155824	-422.491771	-422.483402	-422.482458	-422.524746	31.544
+C	-1.8031969256	 1.2023716214	-2.2582572931	-0.4983
+C	-1.2705675074	 1.9424742711	-1.0670306899	 0.186897
+C	-1.2716538864	 3.4600193557	-0.9362627498	-0.348784
+C	-1.9347212306	 2.6178706282	 0.1079872438	 0.056974
+O	-0.9572299949	 2.131486967	 1.0368055981	-0.32511
+C	-0.2975454899	 1.3987778455	-0.0180157717	 0.329441
+C	 1.2347782932	 1.4638962818	-0.1258912289	-0.131045
+O	 1.3322605387	 0.0242547667	-0.0780026357	-0.275311
+C	-0.0755608557	-0.1084768283	 0.2058872394	-0.140355
+H	-2.1521110411	 0.199092993	-1.9920195618	 0.125239
+H	-2.6475478987	 1.7395028537	-2.7012426424	 0.123911
+H	-1.0385243005	 1.0952801383	-3.0367752454	 0.129253
+H	-0.3689211033	 4.0085931538	-0.680552854	 0.116033
+H	-1.934802203	 3.9645801535	-1.6330892766	 0.113646
+H	-2.9627362345	 2.6897511619	 0.4427702142	 0.107189
+H	 1.6468192641	 1.8805695914	-1.0528847274	 0.103822
+H	 1.709455826	 1.9440438072	 0.7391502828	 0.111385
+H	-0.5719691918	-0.8026865432	-0.4817896678	 0.103878
+H	-0.2711707588	-0.4119773287	 1.2422002363	 0.111237
+19
+0 2045	2.8143477	1.5289628	1.3038761	0.7447	74.83	-0.23479	0.07545	0.31024	1052.9488	0.155701	-422.505927	-422.497462	-422.496518	-422.539074	31.743
+C	 3.0982026942	-0.6386122417	-0.7527090861	-0.518513
+C	 2.4577215436	-0.420731942	 0.5761102862	 0.355109
+O	 2.3584478552	-1.5044540486	 1.5157544796	-0.294732
+C	 2.9738509732	-0.2778187568	 1.9490797739	-0.046072
+C	 1.8359103808	 0.6646613718	 2.3521659392	-0.32916
+C	 1.254900445	 0.4906459788	 0.9116560017	 0.411662
+C	-0.1924998422	 0.1002270297	 0.5709196155	-0.352408
+C	-0.1862926266	 1.3829157353	-0.2827100861	-0.077963
+O	 1.1620842193	 1.7009463336	 0.1360453908	-0.322743
+H	 4.0549930043	-1.1555179352	-0.6415957374	 0.132731
+H	 2.4566035034	-1.2465024725	-1.4011908945	 0.126935
+H	 3.2642003446	 0.3231740184	-1.2463563234	 0.141887
+H	 3.9864062612	-0.3430786281	 2.3310364287	 0.102928
+H	 1.2173306186	 0.3385220453	 3.1922639958	 0.105647
+H	 2.157049994	 1.6997404599	 2.4951736886	 0.1202
+H	-0.3067701826	-0.8418428326	 0.0322165893	 0.118075
+H	-0.8783895448	 0.1120809677	 1.4193939174	 0.115623
+H	-0.2490763449	 1.2344773299	-1.3672348802	 0.104385
+H	-0.8953680363	 2.164810107	 0.0113490711	 0.106408
+19
+0 2046	2.8038788	1.4743143	1.2618955	2.2158	74.55	-0.24305	0.07456	0.31761	1067.5197	0.15579	-422.498154	-422.489715	-422.488771	-422.531374	31.504
+C	-1.6492429492	 1.2556474416	-2.3359893185	-0.512085
+C	-1.2939073195	 1.8825547834	-1.0281607857	 0.348826
+O	-1.1981568988	 3.3179373872	-0.9645772424	-0.291441
+C	-2.0624915692	 2.650230258	-0.0319634913	-0.038014
+C	-1.1760891755	 2.1589560056	 1.1175876667	-0.34843
+C	-0.3286078671	 1.3758177336	 0.0650903471	 0.255869
+C	 1.1900493006	 1.519474284	-0.1258964647	-0.127912
+O	 1.3681737712	 0.0847785973	-0.1118306046	-0.276135
+C	-0.0161030473	-0.1243457673	 0.2251254119	-0.144062
+H	-1.9777540226	 0.2204449452	-2.2015745231	 0.127916
+H	-2.4543938134	 1.8181852021	-2.8156366977	 0.137565
+H	-0.787286231	 1.2495012623	-3.0128108564	 0.137012
+H	-3.1029695727	 2.95485704	-0.0186915197	 0.103677
+H	-0.6628943383	 2.9406703794	 1.6839631857	 0.11239
+H	-1.6939878037	 1.4858131868	 1.8073738068	 0.107347
+H	 1.5188065872	 1.9731055763	-1.0682316333	 0.109799
+H	 1.7157116138	 2.0050217555	 0.7070546571	 0.100308
+H	-0.512067837	-0.8130173506	-0.4708992883	 0.100996
+H	-0.1387152573	-0.5071887304	 1.2482012304	 0.096374
+19
+0 2047	2.8833101	1.5406744	1.3203705	1.554	75.17	-0.22744	0.06863	0.29607	1037.9267	0.156917	-422.510997	-422.502894	-422.50195	-422.543646	31.435
+O	 2.4981471206	 0.0119434939	 2.2190870655	-0.460724
+C	 2.3083023119	-0.562690332	 0.9851960409	 0.381868
+C	 2.591764305	-2.0004461123	 0.7292681187	-0.33406
+C	 3.2718349842	-0.9676726932	-0.1487169333	-0.141455
+C	 2.2655326135	-0.4493940333	-1.185397579	-0.303176
+C	 1.337719784	 0.0240522865	-0.0302895797	 0.369455
+C	-0.1972292652	-0.0959626699	 0.0464265837	-0.367955
+C	-0.1743722817	 1.4285328575	 0.2508727375	-0.074183
+O	 1.26693574	 1.4698339891	 0.1161102167	-0.334046
+H	 2.4388453316	 0.9659608194	 2.0670743892	 0.290447
+H	 3.2359601596	-2.4506651534	 1.4785256894	 0.123354
+H	 1.8375952653	-2.6743724333	 0.3244595352	 0.101739
+H	 4.3499036969	-0.8979023389	-0.2146204181	 0.09177
+H	 2.617432613	 0.4129598671	-1.7560412762	 0.117694
+H	 1.8460599323	-1.1945858039	-1.8711414607	 0.092441
+H	-0.6747397168	-0.4316786037	-0.8757554101	 0.113184
+H	-0.5715739299	-0.6858793085	 0.8849979517	 0.118985
+H	-0.6658888069	 2.0282174533	-0.5231186154	 0.107631
+H	-0.4989748572	 1.7808057656	 1.236618114	 0.107029
+19
+0 2048	2.8442556	1.4589396	1.266517	1.9143	74.66	-0.24191	0.06767	0.30957999999999997	1062.4117	0.156572	-422.500385	-422.492102	-422.491158	-422.533261	31.64
+O	-1.7617424038	 1.3820251525	 2.0312849019	-0.456505
+C	-1.3063709151	 2.0317813267	 0.8981941016	 0.344256
+C	-1.3825241919	 3.5241624163	 0.7262985542	-0.349032
+C	-2.1370850398	 2.622509813	-0.2280017512	-0.10053
+C	-1.1599899529	 2.0464072369	-1.2608152207	-0.320951
+C	-0.324062559	 1.4159634568	-0.1064754867	 0.231224
+C	 1.2033086369	 1.520020292	 0.0635821768	-0.142238
+O	 1.3244679515	 0.0955072257	 0.2500474044	-0.277712
+C	-0.0756678138	-0.102691239	-0.0419243927	-0.139217
+H	-1.1885018169	 1.6138932086	 2.7705454178	 0.290131
+H	-2.0050257771	 4.0185977024	 1.4654221088	 0.115724
+H	-0.5295102216	 4.1079171498	 0.3847495203	 0.104812
+H	-3.2130809561	 2.679597904	-0.3302682918	 0.097299
+H	-1.6036506634	 1.2822723269	-1.9048709257	 0.10856
+H	-0.6412704946	 2.7790888364	-1.8889434594	 0.098073
+H	 1.7466134234	 1.8652255206	-0.8272440797	 0.096025
+H	 1.557903323	 2.0859492263	 0.935678838	 0.092437
+H	-0.2257516802	-0.6349573091	-0.9913430666	 0.092551
+H	-0.5960523286	-0.6331153269	 0.7632431808	 0.115093
+19
+0 2049	2.7813655	1.5524793	1.3210643	1.2245	74.84	-0.22371	0.05822	0.28193	1069.1644	0.156182	-422.502257	-422.494123	-422.493179	-422.534606	32.012
+O	 0.0028352996	-1.2535337584	-2.2127754016	-0.44475
+C	-0.6633799218	-0.9554621471	-1.0435652509	 0.249842
+C	-2.1603748927	-1.0676245064	-0.9585399627	-0.334854
+C	-1.2968114135	-1.7761648953	 0.0562838095	-0.002476
+O	-0.8680899642	-0.8536741192	 1.0640827165	-0.332205
+C	-0.1520333543	-0.0567022977	 0.087435616	 0.401693
+C	-0.3088443506	 1.4751533743	 0.0568367935	-0.291021
+C	 1.208701776	 1.5706919907	-0.2712679514	-0.211866
+C	 1.3737216229	 0.1178560357	 0.2546136905	-0.303159
+H	 0.8476678761	-1.6590189285	-1.9868138674	 0.290585
+H	-2.7812809612	-0.229158974	-0.6536572871	 0.115345
+H	-2.581351056	-1.7122526303	-1.7245887341	 0.120285
+H	-1.3331527115	-2.8303545018	 0.301975394	 0.1079
+H	-1.0261168577	 1.8920417819	-0.6545712106	 0.102495
+H	-0.5330102742	 1.8555766035	 1.0573744847	 0.11511
+H	 1.3888633543	 1.6363814664	-1.3468022305	 0.113891
+H	 1.7823889197	 2.3505762728	 0.2319489825	 0.103379
+H	 2.0380021877	-0.5615675493	-0.2884313737	 0.081335
+H	 1.6351727016	 0.0890952827	 1.3156890629	 0.11847
+19
+0 2050	3.0999953	1.300207	1.2002151	1.9366	75.2	-0.23313	0.07223	0.30536	1127.5987	0.155923	-422.48711	-422.478697	-422.477752	-422.520111	31.7
+C	-0.1577271362	-0.5456409462	-0.2105822205	-0.496605
+C	 1.2287653256	 0.0173174711	-0.3088643888	 0.243926
+C	 2.5013263507	-0.7570411783	 0.0005187845	-0.35388
+C	 2.3211171869	-0.1253410468	-1.3428061571	 0.060255
+O	 2.6628246425	 1.2682300715	-1.2970075554	-0.304826
+C	 1.5695864259	 1.5165361445	-0.3777142294	 0.051879
+C	 1.9536165908	 2.2964563166	 0.8523835954	 0.056905
+C	 3.1840690123	 3.0968842577	 0.9015747625	-0.175927
+O	 3.0787216065	 1.8595978883	 1.6124287548	-0.227883
+H	-0.5473704741	-0.4758885339	 0.81224977	 0.125127
+H	-0.8541603177	-0.0162033512	-0.8712276788	 0.117921
+H	-0.1718355745	-1.6036281398	-0.4911177177	 0.123458
+H	 3.2447574936	-0.3626593566	 0.682845016	 0.146087
+H	 2.3580260989	-1.8338539446	 0.0252639142	 0.107807
+H	 2.3665638707	-0.6216906561	-2.3051454608	 0.102297
+H	 0.7712777611	 2.0705625809	-0.8956528404	 0.079259
+H	 1.1021514042	 2.6155621561	 1.4572764275	 0.094871
+H	 3.8512510296	 3.075994736	 0.0436957337	 0.136346
+H	 3.2226821633	 3.9898841308	 1.5230784503	 0.112982
+19
+0 2051	2.9856892	1.2311285	1.0173904	2.3825	75.42	-0.24693	0.07867	0.3256	1215.0117	0.155606	-422.49829	-422.489694	-422.48875	-422.531805	31.993
+C	 0.1680133518	-0.4958362054	-0.3203479205	-0.50429
+C	 0.9300027801	 0.6809036016	 0.1951264352	 0.401721
+O	 2.239080221	 0.4568363161	 0.7462882004	-0.289666
+C	 2.1001865943	 1.4242082526	-0.3067103449	-0.03918
+C	 1.6371836415	 2.7296840911	 0.3463523392	-0.272305
+C	 0.3813141019	 1.9520352113	 0.8932998922	-0.084601
+C	 0.190561896	 1.8688018081	 2.3804693837	 0.08546
+C	-1.1369093561	 1.7332095554	 2.9960530102	-0.188819
+O	-0.4536016314	 2.9858936947	 3.0066056998	-0.240319
+H	-0.255783367	-1.0783936799	 0.5054497247	 0.132304
+H	-0.6579391974	-0.1734721046	-0.9626180306	 0.125141
+H	 0.8260702791	-1.1520532541	-0.8960529586	 0.136609
+H	 2.7060380557	 1.2727404425	-1.193124949	 0.102543
+H	 2.3200401457	 3.1409135379	 1.0936290697	 0.116442
+H	 1.3635925246	 3.5094797413	-0.3675584443	 0.109735
+H	-0.536542237	 2.3118252928	 0.4191951119	 0.079634
+H	 1.0498726054	 1.4855718287	 2.9298028065	 0.106584
+H	-2.0228351759	 1.6893159873	 2.3626017767	 0.107754
+H	-1.2380009422	 1.2447374427	 3.9644595177	 0.115255
+19
+0 2052	3.2328414	1.2179358	0.9902027	2.2971	75.58	-0.25143	0.07214	0.32356999999999997	1214.2076	0.156134	-422.499526	-422.491008	-422.490063	-422.532958	32.2
+O	-1.3401425822	-0.2842469767	 0.2958333815	-0.458844
+C	-2.3592039392	 0.6522711208	 0.2397640395	 0.392458
+C	-3.7295077674	 0.395274832	 0.7960655665	-0.347425
+C	-3.5647725003	 0.6555988304	-0.6868047568	-0.097134
+C	-3.3968851475	 2.1608521369	-0.9209108488	-0.245897
+C	-2.1280636635	 2.158941573	 0.006746833	-0.105487
+C	-0.851235041	 2.4611636002	-0.7277504026	 0.110386
+C	 0.3244428686	 3.0284937287	-0.0589450305	-0.191256
+O	-0.5156837472	 3.8448949864	-0.8776323861	-0.249452
+H	-1.094870454	-0.4132268568	 1.2187190318	 0.286591
+H	-3.9106917854	-0.6444175333	 1.0506865515	 0.113447
+H	-4.2324499436	 1.1180030738	 1.4361068396	 0.10352
+H	-3.8690908639	-0.0764790177	-1.4241267558	 0.094015
+H	-3.1466230427	 2.421614339	-1.9518604423	 0.113259
+H	-4.2291063343	 2.7899584206	-0.5909964335	 0.099595
+H	-2.1897049688	 2.7938102487	 0.8981790463	 0.065055
+H	-0.6795651774	 1.8630820518	-1.6244221914	 0.096539
+H	 0.2837751499	 3.2428842266	 1.0088302417	 0.106447
+H	 1.32072126	 2.8345303754	-0.4540677137	 0.114184
+19
+0 2053	3.2178302	1.2664756	1.0098415	1.5556	75.77	-0.22181	0.06386	0.28567	1203.0305	0.156027	-422.493306	-422.484841	-422.483896	-422.526577	32.42
+O	 0.2814534371	 0.0694179708	 0.7143693444	-0.444994
+C	-0.7424504699	 0.9816005393	 0.5904998265	 0.31484
+C	-2.174998429	 0.5450103362	 0.6764798324	-0.338596
+C	-1.6879053578	 1.669872321	 1.5568918343	 0.006762
+O	-1.6468362635	 2.8936303191	 0.8158761974	-0.301934
+C	-0.6517207561	 2.3457637474	-0.1062326085	 0.050748
+C	 0.6666853451	 3.0490890078	 0.0251104105	-0.000984
+C	 1.7007189142	 2.8979560281	-1.0698868306	-0.27401
+C	 0.9959133966	 4.2129726089	-0.8747071509	-0.276854
+H	 1.068953435	 0.5397021428	 1.0116732269	 0.290955
+H	-2.8843891447	 0.7443092809	-0.1233072973	 0.112229
+H	-2.2987952013	-0.405516362	 1.1876108048	 0.121246
+H	-1.7894574915	 1.7229241972	 2.6341172987	 0.106366
+H	-1.0055928572	 2.3801684909	-1.1457955573	 0.07564
+H	 1.0335680846	 3.112289379	 1.0468375294	 0.084116
+H	 2.7431771006	 2.8204737776	-0.7822572252	 0.114511
+H	 1.4350236232	 2.3002407895	-1.9354683487	 0.12132
+H	 1.5536526344	 5.0395890544	-0.4499518847	 0.117681
+H	 0.2524435003	 4.5074164312	-1.607728972	 0.120958
+19
+0 2054	2.6886215	1.4081946	1.114148	1.8136	75.95	-0.25852	0.00932	0.26784	1141.4475	0.156238	-422.560415	-422.551634	-422.550689	-422.594204	32.3
+C	-2.0677875328	 1.9563899603	-1.7413544727	-0.497815
+C	-2.2316485701	 1.7537673382	-0.2620399692	 0.351807
+C	-3.4215812273	 1.0695674836	 0.3601723086	-0.326149
+C	-3.1185773982	 2.4828858323	 0.7657428414	-0.098736
+C	-1.986361743	 2.4764761282	 1.7993711776	-0.27152
+C	-1.0832590912	 1.7864810593	 0.7459560145	 0.070101
+O	-0.5493042797	 0.5217473374	 1.2015900671	-0.214375
+C	 0.3038287752	-0.0919486165	 0.3753290315	 0.177616
+O	 0.6494700002	 0.2967866615	-0.7081361381	-0.306894
+H	-1.6082801285	 1.0807693101	-2.2099896507	 0.141133
+H	-3.0363432757	 2.1331161896	-2.2206377073	 0.111242
+H	-1.4245546533	 2.8170203392	-1.9560872705	 0.117821
+H	-4.2637418204	 0.9435153042	-0.3128713033	 0.112841
+H	-3.2920550297	 0.2557865273	 1.0696255837	 0.113262
+H	-3.8083452158	 3.2995246598	 0.5927674507	 0.090522
+H	-1.6179347116	 3.4658151238	 2.0774487992	 0.109891
+H	-2.1724063938	 1.8960809072	 2.7080022903	 0.108167
+H	-0.2514613147	 2.405595839	 0.4048333254	 0.103322
+H	 0.6512724702	-1.0235602344	 0.8496187515	 0.107763
+19
+0 2055	3.4775176	0.9661462	0.863196	3.7638	76.62	-0.24292	-0.02174	0.22118	1377.4109	0.154489	-422.523876	-422.514663	-422.513719	-422.558783	33.118
+C	-2.8852501018	 3.3374787552	-1.9864145566	-0.497505
+C	-1.4450461606	 3.0988382727	-1.6411830084	 0.245979
+C	-0.2704918401	 3.62665929	-2.4479027925	-0.351154
+C	-0.3832775462	 3.9627074233	-0.9947377224	 0.071225
+O	 0.1231259938	 2.8905523809	-0.1929983606	-0.310177
+C	-0.9404327187	 2.0186025898	-0.6758574661	 0.082577
+C	-0.4383139266	 0.6723684596	-1.1936534539	-0.30226
+C	 0.319912484	-0.091721656	-0.126278742	 0.15537
+O	 0.0057645806	-1.1798907627	 0.284110243	-0.239502
+H	-3.5236455491	 3.2777964991	-1.0978904356	 0.124213
+H	-3.0240957283	 4.3278079638	-2.4312519675	 0.125132
+H	-3.2503190533	 2.6001711569	-2.7114046446	 0.127087
+H	 0.536119924	 2.983209254	-2.7879878603	 0.114338
+H	-0.5371622469	 4.4239845649	-3.1355764784	 0.116602
+H	-0.3996942747	 4.956425111	-0.5621079115	 0.107843
+H	-1.6648975292	 1.8593971242	 0.1347617933	 0.092085
+H	-1.2805594956	 0.0607609752	-1.5315189474	 0.121881
+H	 0.2425842747	 0.8418889251	-2.0371437408	 0.117884
+H	 1.2123670739	 0.4398531929	 0.2680358323	 0.098382
+19
+0 2056	2.9332758	1.0978541	0.9205561	2.9886	76.39	-0.24754	-0.02171	0.22583	1299.4269	0.15444	-422.533539	-422.524316	-422.523372	-422.56852	33.097
+C	 0.0480440163	 3.3841372072	-1.3349888105	-0.505866
+C	-0.2261140713	 3.1469762376	 0.1147570186	 0.406562
+O	 0.734652763	 3.6118095407	 1.0759632615	-0.287202
+C	-0.6271922319	 4.0491217081	 1.2094794849	-0.032421
+C	-1.3877617616	 2.9406068354	 1.9400157725	-0.27642
+C	-0.9634297825	 1.9571183145	 0.7865232118	-0.066436
+C	-0.1340396206	 0.7314648655	 1.1921138778	-0.292878
+C	 0.264529933	-0.1164834785	 0.0072102989	 0.152672
+O	-0.0880457943	-1.2539084397	-0.1751680691	-0.240545
+H	 0.8155042237	 2.6979299282	-1.7106176969	 0.134605
+H	-0.8575520154	 3.2317649269	-1.9308424276	 0.128602
+H	 0.4043177753	 4.4059089682	-1.4911530842	 0.137385
+H	-0.7999759067	 5.1196381242	 1.2138663331	 0.104618
+H	-1.0163378555	 2.7054334671	 2.9407711736	 0.112996
+H	-2.4677297948	 3.099734604	 1.9779473042	 0.110991
+H	-1.8367792348	 1.654923538	 0.1999186049	 0.088768
+H	 0.7754935789	 1.0916372865	 1.6900689195	 0.132202
+H	-0.6949661644	 0.1028398712	 1.8901840534	 0.118707
+H	 0.9270860836	 0.3955155549	-0.7297214363	 0.073662
+19
+0 2057	3.4850526	1.0136647	0.8706526	3.6107	76.61	-0.24473	-0.01853	0.2262	1334.3007	0.1552	-422.535727	-422.526674	-422.52573	-422.570327	33.176
+O	-1.9870604339	 2.3885614519	 3.0396969241	-0.456622
+C	-2.1357797999	 2.5663948195	 1.6755681987	 0.397234
+C	-2.9987864189	 3.6411387926	 1.0820418889	-0.348576
+C	-3.3230919771	 2.1868714801	 0.8046255299	-0.095256
+C	-2.3779915688	 1.6560856353	-0.2794332549	-0.242133
+C	-1.1494951184	 2.0071411338	 0.6321549097	-0.084128
+C	-0.3763758474	 0.7788355508	 1.1303639711	-0.282503
+C	 0.4588546839	 0.19176658	 0.0191499324	 0.156331
+O	 0.2634537919	-0.8772051484	-0.5012412738	-0.241243
+H	-1.5829830511	 3.1810964831	 3.4097551168	 0.28806
+H	-3.6605939292	 4.1198062727	 1.7973073378	 0.114842
+H	-2.637048742	 4.2916744523	 0.2875847804	 0.103366
+H	-4.2767517522	 1.7590264638	 1.0864912273	 0.096624
+H	-2.4630443334	 0.581049841	-0.4527779022	 0.123107
+H	-2.4264401925	 2.1728398267	-1.2431212428	 0.099001
+H	-0.4503331407	 2.7452578448	 0.2174786926	 0.064626
+H	 0.2870771353	 1.0835821345	 1.9505572063	 0.112468
+H	-1.0608361155	 0.0146979279	 1.5092658244	 0.125871
+H	 1.2915816398	 0.8496366176	-0.3271030368	 0.068932
+19
+0 2058	2.6999453	1.4829427	1.0959929	2.4222	74.95	-0.23905	-0.01451	0.22454000000000002	1133.615	0.156708	-422.584583	-422.576167	-422.575223	-422.61768	32.027
+C	-2.1582387963	-2.4843908395	-1.9202663526	-0.46312
+C	-1.868181857	-1.2073497954	-1.165061525	 0.377994
+C	-0.6537921302	-1.2526497677	-0.2490986162	-0.371928
+C	-0.0585822973	 0.0959018473	 0.1586505951	 0.380957
+O	 1.0834331897	 0.173570161	 0.5471108731	-0.307775
+C	-0.9735836361	 1.3020127929	 0.0567533846	-0.304011
+C	-1.6519134268	 1.3824334931	-1.3222334102	-0.258607
+C	-2.3507504958	 0.087936751	-1.6737474862	 0.006114
+O	-3.0308341294	-0.573379173	-0.5970770111	-0.29403
+H	-2.2781975231	-3.3229682648	-1.2253423622	 0.128515
+H	-3.0801513819	-2.3866310588	-2.4986923937	 0.130098
+H	-1.3383406383	-2.730182124	-2.6033922815	 0.124246
+H	-0.9333007896	-1.7798877531	 0.6741682545	 0.142204
+H	 0.1508477288	-1.8404450724	-0.7013587193	 0.130731
+H	-1.754260856	 1.1926596273	 0.8187366416	 0.139389
+H	-0.392984097	 2.1995368136	 0.2780287892	 0.118791
+H	-2.3744339136	 2.2065183897	-1.3322174819	 0.117063
+H	-0.9125841089	 1.6057678477	-2.1022831519	 0.116621
+H	-2.9042191013	 0.0913810753	-2.6142027261	 0.086746
+19
+0 2059	2.5786661	1.5941462	1.1544327	4.2962	75.62	-0.25357	0.01377	0.26734	1102.9724	0.15752	-422.591621	-422.58343	-422.582486	-422.624117	31.739
+C	-2.3875161343	-2.6057167869	 0.8955580003	-0.442744
+C	-1.8502481317	-1.20218046	 0.9949377555	 0.426175
+C	-2.1864147503	-0.325569141	 2.1717811051	-0.347593
+C	-2.7201177833	 0.0013475453	 0.7837931599	-0.080701
+C	-2.1521141364	 1.1488517096	-0.0231746991	-0.234187
+C	-0.6290208395	 1.2437993207	 0.1315016718	-0.355313
+C	 0.0968822263	-0.0839169229	-0.002286918	 0.399473
+O	 1.1918666429	-0.1953478483	-0.4825494855	-0.323026
+O	-0.5200273954	-1.1925390682	 0.4827078349	-0.263365
+H	-1.7490936865	-3.3001359055	 1.450241331	 0.135336
+H	-3.3976402452	-2.6572118377	 1.3104590267	 0.118205
+H	-2.4224949536	-2.9343700835	-0.1477950837	 0.130321
+H	-2.8796278067	-0.7121743256	 2.9108425205	 0.118697
+H	-1.3991242987	 0.2938927921	 2.5860934954	 0.121106
+H	-3.7745138458	-0.1993522579	 0.6160079119	 0.094
+H	-2.3997780465	 0.9907063377	-1.0800636625	 0.1166
+H	-2.613250741	 2.0994562585	 0.2671087719	 0.111298
+H	-0.1873880165	 1.9195350267	-0.6026399364	 0.137629
+H	-0.3729829977	 1.6493622568	 1.1178940203	 0.138089
+19
+0 2060	2.7815401	1.4802851	1.1554595	4.4646	75.23	-0.26047	0.01555	0.27602	1106.4812	0.157679	-422.593274	-422.585039	-422.584095	-422.625857	31.591
+C	-2.5141939587	-2.454819568	-1.6302925524	-0.464871
+C	-2.084093604	-1.1911660252	-0.9171044614	 0.321517
+C	-3.1309027259	-0.3511355693	-0.2150431355	-0.338423
+C	-2.460639154	 0.1555896086	-1.4697964094	-0.073795
+C	-1.4124377095	 1.2403092716	-1.383881801	-0.099826
+O	-0.6599812505	 1.21344394	-0.1623217358	-0.223005
+C	-0.2290619145	 0.0381277024	 0.3653347864	 0.399094
+O	 0.4825937588	 0.0590131427	 1.3314075159	-0.325327
+C	-0.6896568313	-1.2440197615	-0.3115540511	-0.403231
+H	-2.550220169	-3.3055813908	-0.9399024298	 0.123723
+H	-3.5096221684	-2.3405352381	-2.0704369658	 0.117435
+H	-1.8184017871	-2.7122157678	-2.4377562542	 0.117325
+H	-4.1641896743	-0.6706816396	-0.2938574299	 0.113925
+H	-2.8828708971	 0.1199441098	 0.7301681092	 0.135034
+H	-3.0506716146	 0.1903991229	-2.3814752944	 0.091968
+H	-0.7171910518	 1.1664348018	-2.2319232703	 0.113562
+H	-1.8616478895	 2.2373161171	-1.4092626779	 0.128562
+H	 0.0381138165	-1.4704226369	-1.1048396875	 0.129881
+H	-0.593340565	-2.0392073497	 0.4329121649	 0.136452
+19
+0 2061	2.6864222	1.4972095	1.1506013	2.3885	74.9	-0.22993	-0.02183	0.2081	1109.9097	0.15649	-422.561866	-422.55347	-422.552526	-422.594682	32.221
+C	-3.1157788672	-2.4885375827	-0.1730878999	-0.464278
+C	-2.279339914	-1.2486487233	-0.4016290524	 0.271043
+C	-2.4981833852	-0.4281748456	-1.6697461869	-0.388341
+C	-2.9051639973	 0.1133726435	-0.3198909912	 0.101957
+O	-2.2314045013	 1.1550257341	 0.3351725065	-0.252285
+C	-0.8613311574	 1.2866489286	 0.0268716607	-0.178363
+C	-0.0696216192	-0.0242924206	-0.0231023863	 0.328274
+O	 1.1257319029	-0.0048538237	-0.1922148723	-0.301809
+C	-0.8615002055	-1.31155949	 0.1509659082	-0.351254
+H	-3.1788129345	-2.7337912892	 0.8935902551	 0.11959
+H	-4.1358843979	-2.3514913073	-0.5454636218	 0.116635
+H	-2.6882188686	-3.3556334977	-0.6906857027	 0.121081
+H	-1.6316584823	-0.0200154926	-2.1785431074	 0.124706
+H	-3.2927477421	-0.7307791599	-2.3436816725	 0.116664
+H	-3.9649789663	 0.1930072556	-0.1027527289	 0.103755
+H	-0.7063017266	 1.8023711466	-0.9339712986	 0.1277
+H	-0.4227190907	 1.9202786524	 0.8037412909	 0.144737
+H	-0.2775669209	-2.1302272017	-0.2827534629	 0.127746
+H	-0.9144100758	-1.4983641564	 1.2348590224	 0.132442
+19
+0 2062	2.6407687	1.4544807	1.1046195	2.0713	74.68	-0.23814	-0.01608	0.22205999999999998	1124.683	0.157125	-422.580004	-422.571691	-422.570747	-422.612904	32.423
+O	-2.0599995891	-2.3758361216	-2.0045196921	-0.467073
+C	-1.9351610021	-1.2795833622	-1.1368407591	 0.399926
+C	-3.2039978378	-0.6984485117	-0.5583808823	-0.363722
+C	-2.4528461334	 0.0170212227	-1.673089639	-0.053864
+C	-1.6501870752	 1.2803479833	-1.4199795941	-0.24098
+C	-1.0064018003	 1.3127981867	-0.0269386093	-0.316624
+C	-0.3130545371	 0.0223764779	 0.4089388621	 0.38537
+O	 0.4741596333	 0.0160370155	 1.3258925488	-0.313901
+C	-0.6381441257	-1.264061068	-0.3504784744	-0.384084
+H	-2.1977706107	-3.1647883361	-1.4677085223	 0.28078
+H	-4.1288105455	-1.190414535	-0.8371853305	 0.116491
+H	-3.1968281483	-0.2920685213	 0.4477429117	 0.111855
+H	-2.9161274993	-0.0497316357	-2.652380318	 0.099791
+H	-0.8687873732	 1.3558848974	-2.1873906707	 0.110096
+H	-2.2858331648	 2.1647288786	-1.5427149792	 0.108501
+H	-0.2798902946	 2.1249418263	 0.0653530887	 0.130387
+H	-1.7703177302	 1.514795429	 0.7357842902	 0.137115
+H	 0.1846488604	-1.4158508242	-1.0644132688	 0.140805
+H	-0.5782457364	-2.0940445514	 0.3632893485	 0.11913
+19
+0 2063	2.5648957	1.7625991	1.4230585	2.5079	74.41	-0.24867	0.08912	0.33779000000000003	995.8885	0.157466	-422.524056	-422.516288	-422.515344	-422.55579	30.744
+C	 0.000836139	-0.0131002716	 0.1209124145	-0.477145
+C	 1.5031250826	 0.0313195512	-0.0729178156	 0.278599
+C	 2.3532979038	-1.104509482	 0.4574328996	-0.344043
+C	 2.1504661346	-0.9462692521	-1.0255925761	 0.052768
+O	 3.2579038506	-0.5345087486	-1.7746070021	-0.249861
+C	 3.1756683059	 0.7696970231	-2.3180823528	-0.114716
+C	 2.8953394097	 1.8185272654	-1.2599903104	 0.032301
+O	 3.4927062842	 1.587757926	 0.0179618948	-0.252047
+C	 2.0765524698	 1.4251284939	-0.1061672206	-0.01288
+H	-0.2801443593	 0.3669724361	 1.1102109378	 0.122823
+H	-0.5200832433	 0.5920407671	-0.6305470994	 0.118852
+H	-0.3747206893	-1.0372298838	 0.0407774136	 0.120903
+H	 3.3408656376	-0.8492785196	 0.8224843601	 0.139526
+H	 1.8523969765	-1.9197229197	 0.9685633664	 0.10705
+H	 1.5096077174	-1.6542659832	-1.550274347	 0.085079
+H	 4.1451794868	 0.9505642986	-2.793229162	 0.121019
+H	 2.3989744497	 0.8427910893	-3.0989862447	 0.092312
+H	 2.9048508216	 2.8533674309	-1.603065056	 0.092865
+H	 1.4933672421	 2.1820117489	 0.4191199001	 0.086596
+19
+0 2064	2.5970755	1.8121065	1.3192092	0.3219	73.9	-0.25687	0.07215	0.32902	1014.8131	0.157685	-422.544811	-422.536977	-422.536033	-422.576662	30.757
+C	 0.0872618071	 0.2966557651	 0.1354915506	-0.487871
+C	 1.5772963173	 0.0822529564	 0.0431866854	 0.4026
+O	 2.0724996971	-0.2835978665	-1.2669766771	-0.303101
+C	 2.4385694752	 0.991695227	-0.7232388094	 0.006478
+C	 3.8870182439	 1.214961455	-0.3430728923	-0.252257
+C	 4.5448726988	-0.028102962	 0.2693264712	-0.253559
+C	 3.6715881611	-0.7058278292	 1.3027006641	 0.065182
+O	 2.889889682	 0.1227781318	 2.1718725856	-0.264566
+C	 2.2121635117	-0.671792209	 1.1779910141	-0.023497
+H	-0.1631346088	 0.8570403826	 1.0426933581	 0.134012
+H	-0.2792802715	 0.8498294458	-0.7325005076	 0.128706
+H	-0.4398195218	-0.6631994761	 0.1771688415	 0.125952
+H	 1.9548783759	 1.8352863787	-1.2192601599	 0.085324
+H	 4.4546162595	 1.5389549477	-1.2228507482	 0.106307
+H	 3.9120580731	 2.0434191828	 0.3738496938	 0.123201
+H	 4.7522153948	-0.7656777755	-0.5142152345	 0.123925
+H	 5.5083803956	 0.2425171486	 0.7156242647	 0.106189
+H	 4.117294452	-1.567962925	 1.8005242454	 0.089989
+H	 1.6238042971	-1.4898073381	 1.5945781345	 0.086986
+19
+0 2065	2.6139111	1.8251369	1.3194392	2.3827	74.14	-0.23613	0.08659	0.32272	1009.1747	0.157379	-422.528057	-422.520214	-422.51927	-422.559907	30.944
+C	 0.0420004382	-0.0984513198	-0.3214021853	-0.468014
+C	 1.528338181	-0.0100722169	-0.0737402387	 0.4062
+O	 2.0103543796	-0.8223129503	 1.0247815251	-0.298627
+C	 2.4074526215	-1.1665263233	-0.2991606239	-0.021921
+C	 3.8637367964	-0.9771938336	-0.6698473975	-0.126989
+O	 4.4311482293	 0.2327195286	-0.2177227314	-0.252157
+C	 3.6485723253	 1.3840787947	-0.3328783757	 0.143605
+C	 2.790042462	 1.7152685762	-1.5238962521	-0.349708
+C	 2.1565851797	 1.3433911513	-0.1816749821	-0.146316
+H	-0.5025778009	 0.5161263034	 0.4039811581	 0.126771
+H	-0.2068338506	 0.2674399929	-1.3229870163	 0.124149
+H	-0.3061281442	-1.1299488633	-0.2243544805	 0.126138
+H	 1.9713825584	-2.0900288571	-0.687918125	 0.085687
+H	 4.4716981078	-1.7714276708	-0.2236209726	 0.123174
+H	 3.9497277459	-1.0745917577	-1.7658260125	 0.096213
+H	 4.1802110508	 2.2045778934	 0.135719604	 0.107531
+H	 2.7524257599	 2.7475658124	-1.853989866	 0.116111
+H	 2.6971817077	 0.9889750078	-2.3239587825	 0.11853
+H	 1.6773609422	 2.130881362	 0.3932965749	 0.089622
+19
+0 2066	2.5419428	1.8009347	1.3218614	1.4749	73.75	-0.24835	0.08205	0.33039999999999997	1005.9413	0.158411	-422.545003	-422.537338	-422.536394	-422.576567	30.947
+O	 0.4344361368	 0.4227426573	 1.0211589563	-0.473733
+C	-0.9498935472	 0.4343633993	 0.7977446907	 0.415567
+C	-1.8025931115	 0.1608609855	 2.006184603	-0.334822
+C	-1.721498305	-0.8568676356	 0.8819187828	-0.090348
+C	-2.8556874736	-1.1311762966	-0.0924912589	-0.226832
+C	-3.6233753657	 0.1278562258	-0.5208665598	-0.263022
+C	-2.7144566075	 1.2899369303	-0.8626223525	 0.071718
+O	-1.5014154644	 1.0103404936	-1.5674899367	-0.270192
+C	-1.4188534955	 1.4487951193	-0.1914876877	-0.055379
+H	 0.8555254089	 0.1297673394	 0.2045356888	 0.286024
+H	-1.2743860352	-0.0766330689	 2.9224403886	 0.123423
+H	-2.7077230561	 0.7434905113	 2.1405031723	 0.112639
+H	-1.1065401218	-1.7215804002	 1.1150395382	 0.090034
+H	-2.4275393159	-1.600322269	-0.9852122606	 0.115417
+H	-3.5585093095	-1.8552996421	 0.3367730662	 0.098647
+H	-4.2624122585	-0.104919849	-1.3805223135	 0.108786
+H	-4.299125754	 0.4622744884	 0.2774596928	 0.109182
+H	-3.2227228333	 2.1938824024	-1.2024177609	 0.086993
+H	-0.995755661	 2.4460785487	-0.0718995992	 0.095898
+19
+0 2067	2.4514581	1.8806214	1.2974254	0.5973	74.24	-0.24342	0.07791	0.32133	1007.8526	0.158016	-422.52943	-422.521694	-422.52075	-422.561123	31.195
+O	 0.4529750427	 0.3582084069	 0.9072639045	-0.472817
+C	-0.9407247627	 0.384405331	 0.7501357148	 0.423972
+C	-1.6906943405	 0.1527875907	 2.0219458017	-0.332799
+C	-1.7121427878	-0.911755482	 0.9399885817	-0.117296
+C	-2.9478783517	-1.092868153	 0.0740094522	-0.105793
+O	-2.7383635792	-0.5971794547	-1.249660993	-0.250144
+C	-2.4753816808	 0.7720031663	-1.2773482779	 0.110745
+C	-1.1076600766	 1.1706482459	-1.7403312911	-0.330007
+C	-1.4836427118	 1.3287321155	-0.2752646527	-0.147138
+H	 0.8391003632	 0.1923572611	 0.0399730426	 0.27809
+H	-1.089536971	-0.0373395191	 2.9035813459	 0.122896
+H	-2.6028529739	 0.7149113158	 2.1991152171	 0.110293
+H	-1.1058344184	-1.7931921399	 1.1187416545	 0.092873
+H	-3.1920246537	-2.151058749	-0.0470503491	 0.11246
+H	-3.8203333728	-0.5962344307	 0.5240147941	 0.091931
+H	-3.3326006099	 1.385489669	-1.5518334928	 0.087404
+H	-0.4586211018	 0.347500058	-2.02186881	 0.114965
+H	-0.9864377131	 2.070382692	-2.3327941891	 0.11518
+H	-1.6467705003	 2.3498616163	 0.0575189065	 0.095186
+19
+0 2068	2.5428523	1.7471566	1.4199272	1.707	74.15	-0.23502	0.08246	0.31748	989.8371	0.158041	-422.526531	-422.518911	-422.517967	-422.557957	31.175
+O	 0.3387376761	 0.7678102583	 1.0174544314	-0.469951
+C	-0.9683227498	 0.8055768117	 0.5051864927	 0.35872
+C	-1.923383709	-0.2758645853	 0.9624854098	-0.377626
+C	-2.0267957432	 1.1277577054	 1.5155116044	 0.0498
+O	-3.0987959432	 1.9099798491	 1.0778743849	-0.258431
+C	-2.682716054	 3.0908692464	 0.3913869248	-0.097707
+C	-1.9261866295	 2.7597471536	-0.8819209397	-0.028253
+C	-2.3451281412	 1.5394612012	-1.6591314015	-0.315834
+C	-1.0825044295	 1.50366363	-0.8302571049	-0.083513
+H	 0.804648076	 0.0476067515	 0.5780231804	 0.282037
+H	-2.7058115281	-0.6099839904	 0.2912411338	 0.121142
+H	-1.51917129	-1.0317283988	 1.6268332524	 0.112164
+H	-1.7134726314	 1.3050757897	 2.5431272531	 0.097644
+H	-3.6040670405	 3.6407250615	 0.1745557058	 0.110219
+H	-2.0589872122	 3.7155266631	 1.0499389235	 0.096932
+H	-1.5450255862	 3.6192637739	-1.4245754615	 0.084986
+H	-3.2167822726	 1.0008006313	-1.305718565	 0.127226
+H	-2.228215368	 1.5493506847	-2.7371784838	 0.108491
+H	-0.1455584538	 1.5110784432	-1.3776986907	 0.081953
+19
+0 2069	2.3578999	1.8521435	1.3111638	1.5531	74.25	-0.23356	0.07848	0.31204	1023.49	0.156673	-422.521446	-422.513307	-422.512363	-422.553793	31.578
+C	 0.4210020835	 0.6933385273	 1.3330652185	-0.502039
+C	 1.4750604981	 0.0536107308	 0.4649733946	 0.228362
+C	 1.373735319	 0.1162436518	-1.0597111591	-0.37383
+C	 2.4967838782	 0.8102895481	-0.3406534547	 0.080091
+O	 3.7561823288	 0.1855184482	-0.2928284115	-0.260429
+C	 3.5820183763	-1.1329839241	 0.2115497662	-0.177658
+C	 2.239980786	-1.1487001863	 0.9549637499	 0.36293
+C	 2.0625872929	-1.7655464848	 2.2739741484	-0.251374
+O	 1.5971237296	-2.4170290605	 1.0837545249	-0.281324
+H	 0.8313393707	 1.0162079338	 2.296056807	 0.120477
+H	-0.0070470426	 1.5719436821	 0.8412958616	 0.118075
+H	-0.4006503332	-0.0051425097	 1.5296890599	 0.13167
+H	 1.585859866	-0.7741134363	-1.6415006541	 0.125701
+H	 0.5818449883	 0.7380326277	-1.4641323054	 0.114674
+H	 2.5795842036	 1.8910815214	-0.3383944455	 0.104469
+H	 3.5481741955	-1.8703628866	-0.6030470298	 0.115039
+H	 4.4358413554	-1.3723426261	 0.8519256453	 0.115946
+H	 2.9141468669	-2.2379530297	 2.7635245672	 0.113065
+H	 1.2821765972	-1.415234467	 2.9474040864	 0.116156
+19
+0 2070	2.3940625	1.8842979	1.3008402	0.3524	74.37	-0.25182	0.07976	0.33158	1022.8803	0.156591	-422.540746	-422.532566	-422.531622	-422.573116	31.651
+C	 0.1844493771	-0.4604210266	-0.4247478892	-0.506195
+C	 1.5496748918	 0.0342957018	-0.0441863354	 0.349334
+O	 1.8244368672	 1.4384768423	-0.2270030357	-0.309562
+C	 2.5958117648	 0.4871900291	-0.9773619023	-0.012854
+C	 3.9734204218	 0.238694547	-0.3946053451	-0.25181
+C	 3.7011775164	 0.0091950409	 1.1143272409	-0.307608
+C	 2.2607528984	-0.4919602947	 1.1820877027	 0.391483
+C	 1.5898424576	-0.9070919419	 2.4151910993	-0.256554
+O	 2.0422934325	-1.882971159	 1.4680607832	-0.279528
+H	-0.5674077429	-0.1173327211	 0.2944178448	 0.126712
+H	-0.0986641095	-0.0844476083	-1.4104834627	 0.128495
+H	 0.1700626276	-1.5532642902	-0.4364789295	 0.143414
+H	 2.4381491992	 0.5073556066	-2.0532790231	 0.092725
+H	 4.4032656301	-0.6543378833	-0.8628309872	 0.112434
+H	 4.660255649	 1.0707481489	-0.575220777	 0.111372
+H	 4.3819081678	-0.7134232681	 1.568723554	 0.115599
+H	 3.786477968	 0.9518136375	 1.6604340714	 0.123115
+H	 2.1394624566	-0.8812363731	 3.355562966	 0.115318
+H	 0.5090379564	-0.8151621376	 2.5118386849	 0.114112
+19
+0 2071	2.3921477	1.910111	1.3246581	2.3081	75.17	-0.23305	0.08208	0.31513	1017.1137	0.156232	-422.52919	-422.521032	-422.520087	-422.561482	31.799
+C	-1.2694839515	 0.9904326735	 2.2451203901	-0.505271
+C	-0.9148740564	-0.0833795547	 1.2566749427	 0.321237
+O	-0.5651550717	-1.3755165933	 1.8003602213	-0.293846
+C	-1.7179496541	-1.2757413915	 0.9591734265	-0.044848
+C	-1.4325792915	-1.6630033655	-0.4745762199	-0.123441
+O	-0.2593235474	-0.9368813629	-0.8337207155	-0.303217
+C	-0.1403719942	 0.197754275	-0.0020150102	 0.42404
+C	 1.1568240363	 0.9320174247	-0.0756915102	-0.327623
+C	-0.1011718776	 1.5585970883	-0.6530363177	-0.340903
+H	-1.8138137793	 0.5536559439	 3.0851948381	 0.136516
+H	-0.3682972733	 1.4710639052	 2.6417808601	 0.132159
+H	-1.8930524995	 1.7633001779	 1.7864997988	 0.130411
+H	-2.6806477148	-1.4884539597	 1.4175681976	 0.097072
+H	-1.2184055173	-2.7282918008	-0.6070839331	 0.119354
+H	-2.2910751545	-1.3925736058	-1.1105018203	 0.095485
+H	 1.5705707364	 1.3448575084	 0.8380220227	 0.118136
+H	 1.8904440219	 0.5431475388	-0.7723920015	 0.130174
+H	-0.5362613769	 2.4122100875	-0.144572414	 0.110948
+H	-0.1978500846	 1.570138951	-1.7326821254	 0.123617
+19
+0 2072	2.3817287	1.8484578	1.3122526	0.9654	74.34	-0.24815	0.07689	0.32504	1017.9831	0.157459	-422.538805	-422.53085	-422.529906	-422.570767	31.737
+O	-1.7996343473	-0.2468654047	 0.2094278681	-0.469652
+C	-0.86756065	-0.5525363894	-0.7791686622	 0.336479
+C	-0.8429245837	-1.9404002955	-1.3790435069	-0.360195
+C	-1.2874277331	-0.7540595475	-2.2109898987	-0.081462
+C	-0.2424100491	-0.107837239	-3.1159736088	-0.220637
+C	 1.0027763701	 0.085770894	-2.2149892707	-0.339603
+C	 0.4293102714	 0.2148945276	-0.8073831952	 0.416857
+C	 0.6435951203	 1.3763238287	 0.0612800647	-0.256283
+O	 1.3008667934	 0.124662084	 0.3221328584	-0.306611
+H	-1.4981464187	-0.6626054434	 1.0255714708	 0.290377
+H	 0.1010859332	-2.4337470319	-1.5866898872	 0.114974
+H	-1.6335912301	-2.5982635473	-1.0356772966	 0.11599
+H	-2.3354984313	-0.6933361122	-2.4800545616	 0.095997
+H	-0.0206455459	-0.7055352422	-4.0060769175	 0.102656
+H	-0.6145211187	 0.8633316601	-3.4609485769	 0.106858
+H	 1.6591192892	-0.7899616949	-2.2547974966	 0.118976
+H	 1.6056229598	 0.9499038031	-2.5023475289	 0.107809
+H	 1.2960514672	 2.1819643517	-0.2739619818	 0.109031
+H	-0.1240216968	 1.6579316289	 0.7782966377	 0.118438
+19
+0 2073	2.3994327	1.8870967	1.3449363	1.5523	75.3	-0.23035	0.06992	0.30027	1006.0926	0.156961	-422.530292	-422.522299	-422.521354	-422.562252	32.009
+O	-0.4136790265	-0.5132318752	-2.3951400452	-0.462445
+C	-0.9869555388	-0.2295631759	-1.1623151946	 0.326222
+C	-2.3697814202	 0.3408645291	-1.1435617199	-0.324536
+C	-2.1134775184	-1.0236302344	-0.5298771832	-0.143329
+C	-1.8055441947	-1.052548528	 0.9522724441	-0.107323
+O	-0.8524695784	-0.0027029123	 1.1690721722	-0.299798
+C	-0.0992630526	 0.1658377288	-0.0080928917	 0.398275
+C	 1.3743667795	-0.1598157817	 0.0050874703	-0.352282
+C	 0.8861005291	 1.2817910809	-0.0222624312	-0.33054
+H	 0.1281341275	-1.3041891899	-2.2951825787	 0.284673
+H	-2.5827752572	 1.1833747402	-0.4932432703	 0.124526
+H	-2.8878478105	 0.3422670312	-2.0956935513	 0.120497
+H	-2.5194291726	-1.9042681411	-1.0131649531	 0.093027
+H	-2.6610986993	-0.8403768364	 1.6017449778	 0.109834
+H	-1.3861995043	-2.0301091143	 1.237430498	 0.093013
+H	 1.7806307477	-0.5309806475	 0.9391590618	 0.120519
+H	 1.8454621167	-0.5509889785	-0.8908726767	 0.102011
+H	 0.9879114375	 1.8634347379	 0.886925709	 0.123338
+H	 1.0031457656	 1.8405740172	-0.9444555874	 0.124317
+19
+0 2074	2.3839727	1.8449548	1.3172196	1.0708	74.48	-0.21989	0.0693	0.28919	1016.439	0.157058	-422.523303	-422.515268	-422.514323	-422.555381	31.985
+O	-0.5188288069	-0.2042351629	-2.2423483814	-0.462128
+C	-0.8239570359	-0.2254768403	-0.883960525	 0.284883
+C	-2.0881391654	 0.4729772481	-0.4469928934	-0.365033
+C	-1.9335012498	-1.0277063363	-0.2641249185	 0.034131
+O	-1.5460454265	-1.5321602798	 0.9857814202	-0.260397
+C	-0.363419124	-0.8369662063	 1.3979828415	-0.172951
+C	 0.2940732456	-0.2867226294	 0.1330458413	 0.283344
+C	 1.6793614703	-0.6994767118	-0.2949150487	-0.328003
+C	 1.415635849	 0.7076659563	 0.1926017806	-0.314885
+H	-0.1643279635	-1.0689325992	-2.4794114598	 0.284421
+H	-2.0703466849	 1.1345639878	 0.412468907	 0.118831
+H	-2.7496513271	 0.7786289191	-1.25025045	 0.123004
+H	-2.5672669881	-1.7116546151	-0.816219465	 0.105346
+H	-0.6332542448	-0.0200997684	 2.0834079655	 0.100974
+H	 0.2696103199	-1.541935693	 1.9454327372	 0.112069
+H	 2.2314609607	-1.3760776116	 0.3492507203	 0.112893
+H	 1.8749715849	-0.8251279838	-1.3547822596	 0.107661
+H	 1.7979086804	 0.9944801687	 1.1676148148	 0.110951
+H	 1.4222946061	 1.5029568978	-0.5453053772	 0.124889
+19
+0 2075	2.4994808	1.6241432	1.1554306	2.5829	74.99	-0.24078	-0.03042	0.21036	1090.7114	0.155957	-422.560157	-422.551454	-422.550509	-422.593775	32.178
+C	 1.7414064869	 0.8072955192	-2.9664690986	-0.482046
+C	 0.9206245528	-0.408783808	-2.6093284861	 0.31708
+C	 0.4156342024	-1.3371269598	-3.6911375807	-0.332364
+C	-0.5650911936	-0.5379431178	-2.8706281111	-0.092907
+C	-1.1471269254	-1.263332283	-1.6764397154	-0.106212
+O	-0.0348857888	-1.9001522054	-1.0362998734	-0.267048
+C	 1.1374841594	-1.1291913868	-1.2703411099	-0.040271
+C	 1.3835830162	-0.1758639049	-0.1026811409	 0.12968
+O	 2.4055430661	 0.4365423844	 0.0683907978	-0.24795
+H	 1.6327101613	 1.6102212092	-2.2323732077	 0.13197
+H	 2.8070363356	 0.5618418395	-3.0230412148	 0.131772
+H	 1.4349134597	 1.1952784915	-3.9424204899	 0.113912
+H	 0.583970716	-1.0246665022	-4.7160825913	 0.113285
+H	 0.4641731125	-2.4093049794	-3.5270063138	 0.123663
+H	-1.130800588	 0.2680437509	-3.3232494761	 0.09306
+H	-1.64175823	-0.5518257349	-0.9968035074	 0.09738
+H	-1.8632105147	-2.0526805021	-1.9279076374	 0.11491
+H	 1.9870364503	-1.8233149186	-1.3086213295	 0.114432
+H	 0.5284293812	-0.1124708819	 0.6092167963	 0.087653
+19
+0 2076	2.5181527	1.5274122	1.1132437	2.2074	75.23	-0.23934	-0.02508	0.21426	1118.7125	0.15623	-422.55437	-422.545725	-422.544781	-422.58784	32.137
+C	-1.2989764499	-0.5866141089	-0.2295048665	-0.487065
+C	-0.3419455472	-1.1216498812	-1.2697701771	 0.293118
+C	-0.8254960725	-2.1539212002	-2.2825260346	-0.383742
+C	-0.400776178	-0.7794295065	-2.7331887463	 0.088509
+O	 0.8890471019	-0.6193047258	-3.263212889	-0.252532
+C	 1.8069304236	-1.2323105359	-2.3652168871	-0.13116
+C	 1.1601599544	-1.1928116863	-0.9517721023	-0.161829
+C	 1.6169773086	 0.0487941554	-0.2130694124	 0.156239
+O	 2.1004335835	 0.0548964618	 0.8895610318	-0.258137
+H	-1.336325583	-1.2424777355	 0.6475663471	 0.130838
+H	-1.0140870299	 0.41237801	 0.1182501813	 0.128087
+H	-2.3130357738	-0.5193673197	-0.634800412	 0.119265
+H	-0.2043507676	-3.0084308826	-2.5283792066	 0.119029
+H	-1.8894282739	-2.3677834062	-2.2784176485	 0.117097
+H	-1.1075299466	-0.0816289479	-3.1667223508	 0.105865
+H	 2.0065755308	-2.2718629458	-2.6554824098	 0.111998
+H	 2.7514544541	-0.6820930561	-2.4262625344	 0.121732
+H	 1.4341749472	-2.0647905954	-0.3509919073	 0.096729
+H	 1.4889567483	 0.9934876268	-0.7920131857	 0.085958
+19
+0 2077	2.4927658	1.4897813	1.0967957	3.042	75.49	-0.24541	-0.02326	0.22215	1139.7537	0.156093	-422.573445	-422.564713	-422.563768	-422.607211	32.219
+C	 0.7102619781	-0.1765013203	-3.2166672536	-0.486775
+C	-0.0334469843	-0.481052173	-1.9456651472	 0.384664
+O	-0.9628700456	 0.5187953619	-1.4827530823	-0.300409
+C	-1.4709608722	-0.7747949674	-1.8491830294	-0.008634
+C	-1.7426830195	-1.6761630415	-0.6661600993	-0.24692
+C	-0.4708144256	-1.5346747768	 0.2038576597	-0.251645
+C	 0.6796079113	-1.179817005	-0.7791089546	-0.124179
+C	 1.7208400049	-0.2881280439	-0.1400156123	 0.152783
+O	 2.8990792776	-0.5313911098	-0.0815283318	-0.255228
+H	 1.1228670474	-1.0925571831	-3.6521368565	 0.128695
+H	 0.0442044591	 0.2913752903	-3.9454491258	 0.133114
+H	 1.5453681384	 0.5066772532	-3.0288895483	 0.138671
+H	-2.1164729756	-0.786320441	-2.7244843743	 0.094663
+H	-2.6507036903	-1.4008364408	-0.1212265425	 0.115502
+H	-1.8724519776	-2.704461897	-1.0248417724	 0.108852
+H	-0.6039435093	-0.714999521	 0.9153124901	 0.122222
+H	-0.2474693844	-2.4347935679	 0.7799358059	 0.113841
+H	 1.1866242267	-2.0751650338	-1.1543228521	 0.090769
+H	 1.3022782409	 0.6528369469	 0.2846793367	 0.090012
+19
+0 2078	2.5154227	1.517574	1.1198622	2.9537	75.02	-0.24095	-0.01599	0.22496	1116.1194	0.156646	-422.569545	-422.560974	-422.56003	-422.60282	32.498
+O	-0.9122052844	 1.3815732339	 0.3292527907	-0.46792
+C	-0.8939493959	 0.367699169	-0.6309918423	 0.403054
+C	-2.1897965547	-0.1354273338	-1.2144469308	-0.364357
+C	-1.2391215739	 0.6978523461	-2.0574619174	-0.06253
+C	-0.2776841972	-0.0419028892	-2.9719451534	-0.219599
+C	 0.3568154945	-1.1373823959	-2.0772828062	-0.260173
+C	 0.296967327	-0.5938156249	-0.6192402311	-0.161445
+C	 1.55984033	 0.1724405106	-0.2732210529	 0.172954
+O	 2.2979410017	-0.1056455959	 0.6360546294	-0.25897
+H	-1.1422825781	 0.9897726318	 1.1794794124	 0.288309
+H	-2.3228337116	-1.1917019106	-1.4270885493	 0.110362
+H	-3.0815785739	 0.3740936293	-0.8666648967	 0.118662
+H	-1.553022921	 1.7032165837	-2.3130007898	 0.097507
+H	-0.7614165123	-0.4716908504	-3.8555045052	 0.103906
+H	 0.4880898062	 0.6542175868	-3.3327925125	 0.108432
+H	-0.2187845355	-2.0651151749	-2.1337504777	 0.117264
+H	 1.3764524857	-1.3870244064	-2.3846540238	 0.114743
+H	 0.195326929	-1.3992023916	 0.1158343776	 0.083464
+H	 1.7814478544	 1.0283689024	-0.951419841	 0.076337
+19
+0 2079	2.4975132	1.7001914	1.2596752	1.7656	76.36	-0.23	0.01232	0.24232	1045.703	0.157379	-422.538668	-422.53061	-422.529666	-422.570728	31.989
+O	 0.18863967	 0.0817336374	 0.8092640072	-0.466519
+C	-1.014070507	 0.382676646	 0.1553838536	 0.376722
+C	-2.2435260207	 0.3333791806	 1.0225871045	-0.363961
+C	-1.7214820721	 1.6580133862	 0.5270183675	 0.034486
+O	-2.459306796	 2.3058659651	-0.464270371	-0.23994
+C	-1.642389458	 3.0763824813	-1.3311427378	-0.127673
+C	-0.6943981534	 2.3039967592	-2.2136323792	-0.03413
+C	-0.4578394436	 0.9909890285	-2.2309106413	-0.098294
+C	-1.089738811	-0.0325742654	-1.3082112523	-0.319469
+H	 0.8841563196	 0.5950176188	 0.3804854263	 0.279679
+H	-3.1624593641	-0.0393351088	 0.5847072793	 0.123907
+H	-2.1008282837	 0.1128514759	 2.0739741387	 0.123572
+H	-1.235948955	 2.3155592704	 1.2504080015	 0.084327
+H	-2.336464813	 3.6457934541	-1.9625649327	 0.119729
+H	-1.0713551425	 3.8237745346	-0.750366871	 0.097576
+H	-0.1689560736	 2.9369877847	-2.928432657	 0.0889
+H	 0.2389052205	 0.6129210549	-2.9756139748	 0.088986
+H	-2.1354890117	-0.1875951169	-1.5936141526	 0.12401
+H	-0.5901124945	-1.0005969965	-1.414295789	 0.108093
+19
+0 2080	2.3058687	1.8951446	1.2278525	4.4994	75.36	-0.25577	0.01568	0.27144999999999997	1052.0295	0.158258	-422.59425	-422.586109	-422.585165	-422.62662	31.409
+C	-0.8035572867	 2.1638670789	-1.2010505397	-0.453607
+C	-0.9360961339	 1.2011820041	-0.0386955394	 0.161453
+C	-1.0772263533	 1.7851656536	 1.3641285959	-0.32809
+C	-2.2458679491	 1.0961587621	 0.7229859224	-0.062443
+C	-2.6601989734	-0.2870086197	 1.1715513536	-0.247711
+C	-1.4455732727	-1.1189307796	 1.5650420233	-0.079178
+O	-0.4230745707	-1.1389301152	 0.5606777131	-0.237649
+C	-0.1365514313	-0.0567974311	-0.2114776809	 0.390527
+O	 0.7334692932	-0.1602394856	-1.0366209431	-0.334869
+H	-1.1291539302	 1.6990439008	-2.1363544648	 0.129878
+H	-1.4137975574	 3.0557375221	-1.0287675016	 0.10508
+H	 0.2365283144	 2.4715051707	-1.3332254684	 0.140857
+H	-0.5587129471	 1.3128556487	 2.1898460505	 0.125936
+H	-1.0898502145	 2.8679474336	 1.41906728	 0.122776
+H	-3.0483511253	 1.7317468625	 0.3601997202	 0.095343
+H	-3.3410564206	-0.2406898811	 2.0301086055	 0.112165
+H	-3.1983134855	-0.7883058117	 0.3580462085	 0.118461
+H	-1.0123326142	-0.7593610116	 2.5058135815	 0.116203
+H	-1.7205884818	-2.1660888415	 1.7130543835	 0.124868
+19
+0 2081	2.3460613	1.8379234	1.2079631	2.6847	75.67	-0.2324	-0.01514	0.21726	1058.3126	0.157363	-422.570802	-422.562513	-422.561568	-422.603406	31.772
+C	-0.238831423	 2.4763157815	-0.7434319718	-0.46159
+C	-0.8420318869	 1.3042408158	 0.0009705953	 0.211891
+C	-1.59129598	 1.5870041037	 1.3081980164	-0.319836
+C	-2.3571543992	 1.1479487225	 0.103973897	-0.078688
+C	-2.9118586899	-0.2627580434	 0.1004225251	-0.112227
+O	-2.0717268339	-1.1381558443	 0.833597842	-0.243969
+C	-0.7912357406	-1.2759293045	 0.2529976515	-0.180025
+C	-0.0696607057	 0.0312351274	-0.0938097185	 0.301089
+O	 1.0683638108	-0.0117352009	-0.5097352607	-0.322327
+H	 0.7577950928	 2.7070754275	-0.358064182	 0.138736
+H	-0.1328832338	 2.2537131278	-1.8096515909	 0.127201
+H	-0.8676501374	 3.3654213876	-0.6380129988	 0.107879
+H	-1.4928145537	 0.8812968274	 2.1239620206	 0.138354
+H	-1.6278189888	 2.6297637408	 1.602710593	 0.121107
+H	-2.9484659949	 1.885086198	-0.4321873255	 0.095345
+H	-3.8875044423	-0.2982861332	 0.5958202417	 0.117661
+H	-3.0426744078	-0.6260461071	-0.9331089245	 0.095213
+H	-0.1769644164	-1.8451938251	 0.9557288511	 0.141998
+H	-0.8406304593	-1.8562155116	-0.6848020812	 0.122188
+19
+0 2082	2.3275782	1.8207531	1.2009659	2.	75.27	-0.23757	-0.01533	0.22224	1065.12	0.157086	-422.565924	-422.557538	-422.556594	-422.598828	32.047
+C	-0.5920376057	 2.3266673297	 1.0925132984	-0.461949
+C	-0.8764310748	 1.2472086279	 0.0702168209	 0.173448
+C	-1.1540952998	 1.6792469519	-1.3852953565	-0.371181
+C	-2.2545522228	 1.103752172	-0.5539443003	 0.09039
+O	-2.8157652637	-0.1486626599	-0.8057019073	-0.25196
+C	-1.8943265403	-1.1293408196	-1.2573447785	-0.112659
+C	-0.7303567017	-1.3118204423	-0.2805383163	-0.307903
+C	-0.0965015351	-0.01884349	 0.2391540054	 0.326362
+O	 0.9494839627	-0.046750026	 0.8500010963	-0.322553
+H	-0.8016953227	 1.97343718	 2.1070841901	 0.127397
+H	 0.4599932781	 2.6217119436	 1.0569983384	 0.140193
+H	-1.2076836726	 3.211700005	 0.9050557293	 0.108337
+H	-1.155962635	 2.7482777874	-1.5679329742	 0.12639
+H	-0.7200121499	 1.0992962837	-2.1900862775	 0.128188
+H	-3.0278672094	 1.7748867044	-0.1952376159	 0.111675
+H	-2.4700798828	-2.0538282937	-1.3490535829	 0.119172
+H	-1.5259940887	-0.8781846385	-2.2623104542	 0.103202
+H	-1.0907150519	-1.8254148527	 0.6207511067	 0.142988
+H	 0.0521105762	-1.9454929529	-0.708163762	 0.130461
+19
+0 2083	2.3488862	1.8241725	1.1823929	3.0582	75.28	-0.24229	-0.02753	0.21476	1076.0807	0.157086	-422.582219	-422.573834	-422.572889	-422.615135	31.913
+C	-0.391011679	 2.4597352223	 0.8079909487	-0.468834
+C	-0.8725925805	 1.2728059221	 0.0149815567	 0.271768
+O	-1.1045372127	 1.5165104527	-1.394786384	-0.280651
+C	-2.2311652793	 1.2198960765	-0.5719538353	 0.003755
+C	-2.9293788242	-0.0909984806	-0.8575954459	-0.245026
+C	-1.9177128623	-1.1750548459	-1.2479112181	-0.224258
+C	-0.8255657504	-1.3290027377	-0.1837503651	-0.303091
+C	-0.1556742932	-0.0390918826	 0.2765254402	 0.356992
+O	 0.8900859007	-0.0511231074	 0.8853119331	-0.308766
+H	-0.5575097629	 2.3035112951	 1.8782003166	 0.128322
+H	 0.6818279854	 2.6030742469	 0.6597534561	 0.147142
+H	-0.9207920054	 3.3616250836	 0.4927390058	 0.122424
+H	-2.874698746	 2.0787804124	-0.3744926238	 0.092431
+H	-3.4976400558	-0.3880278581	 0.0343396127	 0.106859
+H	-3.6609769544	 0.0553735551	-1.6606901403	 0.112352
+H	-2.4305535439	-2.1310836059	-1.3917711389	 0.100361
+H	-1.4625844946	-0.904778281	-2.2045747569	 0.127153
+H	-1.2605800224	-1.7604466111	 0.7308354993	 0.129826
+H	-0.0388280892	-2.0223103865	-0.4946596007	 0.131241
+19
+0 2084	2.2500527	1.849516	1.2198121	3.079	75.8	-0.2409	-0.01948	0.22142	1056.3526	0.158117	-422.584266	-422.576226	-422.575281	-422.616498	31.731
+O	-0.2242173561	 2.4900914992	-0.2729443807	-0.478842
+C	-0.9395160331	 1.3529635416	 0.0669556846	 0.35463
+C	-2.0753833592	 1.5084462878	 1.0663033844	-0.344145
+C	-2.3924667298	 1.2323858627	-0.3790305702	-0.094945
+C	-2.9684601472	-0.1264812389	-0.7859300237	-0.224723
+C	-1.9047030027	-1.2186972601	-0.9841252679	-0.206124
+C	-0.8470000351	-1.2057125172	 0.1404658677	-0.31696
+C	-0.1124620976	 0.1162916458	 0.0926750168	 0.335857
+O	 1.0970084709	 0.2120201394	-0.0177622407	-0.358672
+H	 0.7001491434	 2.1911308025	-0.2914758463	 0.292077
+H	-2.2540832398	 0.7268166245	 1.798073763	 0.114876
+H	-2.2040457457	 2.5207183859	 1.4320333201	 0.133274
+H	-2.7308372053	 2.092229655	-0.9481041106	 0.110191
+H	-3.6846516408	-0.4530705022	-0.020925516	 0.105401
+H	-3.5409346972	-0.0133525682	-1.7118159942	 0.11026
+H	-2.3802494483	-2.2034558623	-1.0371753292	 0.105542
+H	-1.3929004211	-1.0656005084	-1.9420169515	 0.116517
+H	-1.3366275533	-1.3358790801	 1.1139659843	 0.119947
+H	-0.1131706221	-2.0061382368	 0.0234273399	 0.125839
+19
+0 2085	2.6896673	1.5378653	1.1904788	1.2603	77.41	-0.24463	0.00591	0.25054	1096.4293	0.157128	-422.535175	-422.526934	-422.52599	-422.567698	31.658
+C	-0.0476384699	-0.1288541139	 0.1963497856	-0.464761
+C	 1.4264587612	 0.0936397248	-0.0681080887	 0.37151
+O	 2.2969584235	-0.473228352	 0.945983123	-0.295175
+C	 2.2049632499	 0.9509493341	 0.8355435159	-0.016744
+C	 3.4231140469	 1.709302399	 0.3395411684	-0.131855
+O	 3.0897602411	 2.5307967385	-0.7695023943	-0.23918
+C	 3.2868619968	 1.9135567088	-2.0198777088	-0.139506
+C	 2.5985512779	 0.6023639443	-2.2771207698	-0.055709
+C	 1.8459076028	-0.1536455367	-1.4785338156	-0.128163
+H	-0.2701720295	-0.0053550742	 1.2589130896	 0.127904
+H	-0.6550134168	 0.5780932425	-0.3783382965	 0.128076
+H	-0.3411400217	-1.1421454655	-0.0993069876	 0.124828
+H	 1.664204127	 1.4228308694	 1.6574358512	 0.086698
+H	 3.7981096282	 2.3793148878	 1.1198151793	 0.108036
+H	 4.2180438954	 0.9948365993	 0.0885120396	 0.111057
+H	 2.956326591	 2.6457443925	-2.7679442928	 0.123375
+H	 4.3680289212	 1.7585257758	-2.2012981567	 0.102354
+H	 2.7962848416	 0.228348829	-3.2819686037	 0.096276
+H	 1.4565189636	-1.0842674234	-1.8898884683	 0.090982
+19
+0 2086	2.5993578	1.6141729	1.2482921	0.8453	76.29	-0.24769	-0.00861	0.23908	1050.3393	0.157973	-422.535812	-422.527745	-422.526801	-422.567857	31.885
+O	 0.3329029133	 0.3759929158	 0.7392153696	-0.46377
+C	-0.9699621283	 0.758961087	 0.3679099288	 0.407437
+C	-2.0278745225	 0.0667681337	 1.1680030936	-0.345524
+C	-1.7982802146	 1.5567079132	 1.3604531988	-0.129494
+C	-2.8553823353	 2.5028143811	 0.828282998	-0.074587
+O	-2.3621825673	 3.6845750193	 0.2144543761	-0.260719
+C	-1.2303537315	 3.5139763696	-0.6343393106	-0.10434
+C	-1.2557333442	 2.299068566	-1.5439560167	-0.085544
+C	-1.1317946138	 1.0508306823	-1.0863537219	-0.154534
+H	 0.9318355618	 1.0776453417	 0.4591885589	 0.279477
+H	-2.9409153779	-0.2496427308	 0.6745748797	 0.116714
+H	-1.6672213248	-0.6001497371	 1.9424714163	 0.125791
+H	-1.2831774173	 1.8534079519	 2.2690250688	 0.093738
+H	-3.4924953477	 1.954587896	 0.1197201326	 0.089218
+H	-3.4999291927	 2.8532266448	 1.6413242649	 0.110302
+H	-1.1827783604	 4.4298357657	-1.2296642908	 0.109665
+H	-0.3160227973	 3.4814126292	-0.0218887507	 0.088972
+H	-1.3726577591	 2.4737680033	-2.6104271441	 0.099637
+H	-1.1048090405	 0.2055085174	-1.7711710913	 0.097561
+19
+0 2087	2.543663	1.6742291	1.2678569	2.1675	76.94	-0.2305	0.00184	0.23234000000000002	1045.5699	0.157524	-422.537357	-422.529255	-422.528311	-422.56942	32.043
+O	 0.3830833128	 0.2456209017	 0.6528498402	-0.457913
+C	-0.9231495433	 0.7170743401	 0.4132610967	 0.348522
+C	-1.9759442833	-0.1422532219	 1.0584653678	-0.351629
+C	-1.7198471004	 1.2397077892	 1.5976551516	 0.01247
+O	-2.7550829101	 2.142037312	 1.3611474314	-0.231293
+C	-2.3714091002	 3.4803275043	 1.1009568109	-0.05542
+C	-1.1935195762	 3.626359905	 0.1110299488	-0.294286
+C	-1.2497627576	 2.6729704688	-1.0592807831	-0.043426
+C	-1.1344103274	 1.3504899644	-0.9175172328	-0.145301
+H	 0.9892334181	 0.9750401363	 0.4796294484	 0.27784
+H	-2.9124845895	-0.286217764	 0.5325969616	 0.127172
+H	-1.6193225591	-0.9871439836	 1.6363458112	 0.122665
+H	-1.1979073322	 1.3386142412	 2.5505089624	 0.085864
+H	-3.2707997366	 3.9536370506	 0.6949358752	 0.111501
+H	-2.1119625377	 4.0010783696	 2.0362497378	 0.090211
+H	-1.1745739063	 4.6653788166	-0.2330656494	 0.104893
+H	-0.2572161344	 3.4729892103	 0.6598704006	 0.109792
+H	-1.3935323807	 3.0951335504	-2.0507654682	 0.095141
+H	-1.1429883158	 0.6953284091	-1.786080211	 0.093198
+19
+0 2088	2.8475745	1.6816113	1.423616	2.5967	74.32	-0.23637	0.0719	0.30827	987.6077	0.157001	-422.527638	-422.519853	-422.518909	-422.559195	31.431
+C	 0.0091419114	 0.6980095919	-0.2117662474	-0.502378
+C	 1.4012939925	 0.149155928	-0.0216547584	 0.285164
+C	 2.3251209059	 0.6051386981	 1.1457613279	-0.359852
+C	 3.4613272636	 0.1535941212	 0.2122685566	 0.396745
+O	 4.7839973113	 0.5463087272	 0.3211998299	-0.478614
+C	 3.1017552529	-1.2820609524	-0.3891686341	-0.008772
+C	 1.6225998296	-1.3843319301	 0.0105481602	-0.249423
+O	 2.9974405787	-0.7024282728	-1.724049836	-0.293156
+C	 2.6182569294	 0.486959855	-1.0279445562	 0.019652
+H	-0.6532086608	 0.3967921259	 0.6082612849	 0.117239
+H	 0.0113293176	 1.7927444488	-0.2491368736	 0.114876
+H	-0.4312583733	 0.3307172822	-1.1454930864	 0.122629
+H	 2.3501064506	 1.6928462678	 1.263737878	 0.103475
+H	 2.1892878579	 0.1254808702	 2.1203181995	 0.088163
+H	 5.1824594529	 0.085714813	 1.0676907719	 0.282499
+H	 3.7679573509	-2.1428093048	-0.3317559484	 0.077895
+H	 1.0558470625	-1.9379671823	-0.7422498752	 0.105414
+H	 1.4397019797	-1.8126922147	 1.000353996	 0.092192
+H	 2.6253597766	 1.4114505577	-1.603733649	 0.086254
+19
+0 2089	2.9719032	1.6915398	1.4423636	2.3228	74.69	-0.23649	0.07291	0.3094	975.845	0.157022	-422.531286	-422.523603	-422.522659	-422.56266	31.416
+C	-0.1171848515	-0.0492530431	-0.1637726856	-0.49439
+C	 1.373526496	 0.0097219087	 0.0036000225	 0.413125
+C	 2.1397764951	-0.6051261889	 1.2081313512	-0.344102
+C	 3.2652365666	 0.2853512936	 0.6712106064	 0.387172
+O	 4.4798113932	 0.5467973599	 1.2817069869	-0.481948
+C	 3.3409367956	 0.0363479256	-0.8925604802	 0.051997
+C	 3.0242137925	 1.5315657054	-1.1249890813	-0.253216
+C	 2.2148224743	 1.3538231606	 0.167024163	-0.179957
+O	 2.0715100405	-0.5900463796	-1.1103624891	-0.300228
+H	-0.6219064895	 0.3842247481	 0.7043728365	 0.116562
+H	-0.4269073833	 0.5005550216	-1.0576136007	 0.12772
+H	-0.4473956545	-1.0876374412	-0.2712720259	 0.130132
+H	 1.7671941306	-0.2325709758	 2.1685623034	 0.087409
+H	 2.2536960178	-1.6922005955	 1.2242875815	 0.101214
+H	 4.3123692611	 0.886454559	 2.1671767879	 0.28392
+H	 4.1514226488	-0.5065392792	-1.3760585142	 0.082052
+H	 3.8921685373	 2.1727982794	-0.9539386904	 0.109423
+H	 2.520442841	 1.7882954338	-2.0597713718	 0.096838
+H	 1.8002585084	 2.1567243875	 0.77572727	 0.066278
+19
+0 2090	2.8723735	1.6763765	1.424302	2.5676	74.2	-0.23587	0.07212	0.30799	986.2752	0.157067	-422.529199	-422.521427	-422.520483	-422.560746	31.387
+C	 0.1351315453	 0.2119560706	 0.7165067305	-0.50938
+C	 1.6160512567	 0.1988050337	 0.4487218342	 0.320258
+C	 2.5209420425	-1.0468987438	 0.4964163119	-0.36742
+C	 3.5322171407	-0.143495198	-0.2694320974	 0.372563
+O	 4.498906462	-0.6401072548	-1.1357888984	-0.49024
+C	 3.9067664696	 0.8927164569	 0.8167780073	-0.28676
+C	 2.4818661593	 1.4686513968	 0.8662521672	 0.028614
+O	 2.3513177064	 2.0171591809	-0.4814564345	-0.296892
+C	 2.2841458943	 0.6421449463	-0.8762017451	 0.024787
+H	-0.0787054666	 0.0499411203	 1.7793895457	 0.117105
+H	-0.2970986045	 1.1762275463	 0.4288143069	 0.131955
+H	-0.3783730736	-0.5732022366	 0.1515152738	 0.117923
+H	 2.8262977418	-1.4632432237	 1.4618260205	 0.086934
+H	 2.1158516264	-1.8379061412	-0.1422799165	 0.102676
+H	 5.2186484742	-1.0132448765	-0.6157023937	 0.281007
+H	 4.2506395658	 0.4299749393	 1.7467178839	 0.089815
+H	 4.6195711744	 1.6476720956	 0.4786282791	 0.111688
+H	 2.1887219574	 2.161353853	 1.655377952	 0.077778
+H	 1.9508719279	 0.440770015	-1.8934367974	 0.087588
+19
+0 2091	2.7495063	1.7765629	1.451197	0.2809	74.57	-0.23735	0.07899	0.31634	986.6894	0.156343	-422.528921	-422.521077	-422.520133	-422.560606	31.298
+C	 4.0348795675	-0.3519255255	 2.5671446199	-0.508673
+C	 2.5774010004	-0.3121980486	 2.2180260883	 0.378578
+C	 1.5024326181	-0.9996982677	 3.089323903	-0.244089
+C	 0.3566262468	-0.2749993724	 2.368876656	-0.012382
+O	 0.622520255	 1.1161823979	 2.7239763883	-0.298504
+C	 1.7446911178	 1.0072872296	 1.8486885057	-0.038029
+C	 1.078092575	-0.0386208449	 0.9487482118	 0.433365
+C	 0.3061361793	 0.1422296993	-0.3195528153	-0.521883
+O	 2.2423132815	-0.8667674685	 0.9006373148	-0.357584
+H	 4.2017675985	 0.118984709	 3.5410053194	 0.12785
+H	 4.394039955	-1.385028399	 2.6208888962	 0.131569
+H	 4.6304281421	 0.1774488886	 1.8176487823	 0.127418
+H	 1.5290994075	-2.0821900594	 2.9491641446	 0.107362
+H	 1.5246254793	-0.7392827413	 4.1496156355	 0.107103
+H	-0.6813422356	-0.5753790782	 2.5023041003	 0.081493
+H	 2.2398353049	 1.9369252281	 1.5698559197	 0.087263
+H	-0.1402682421	-0.8051296342	-0.6396234227	 0.131506
+H	-0.4981303687	 0.8674724898	-0.1646776632	 0.136646
+H	 0.9558838777	 0.5030376375	-1.1221654345	 0.130991
+19
+0 2092	2.8599173	1.6762146	1.4270492	2.0345	74.26	-0.23895	0.07383	0.31278	972.0016	0.157998	-422.539305	-422.531792	-422.530848	-422.570438	31.366
+O	-3.9406176412	 2.1612263478	 0.4990750187	-0.48696
+C	-2.5758460513	 1.9387439624	 0.3559412917	 0.411747
+C	-1.9721347947	 0.5470812312	-0.0020437174	-0.379963
+C	-0.6921000566	 1.1911157539	 0.5481326854	 0.439415
+O	 0.4821469617	 0.5108615346	 0.83847967	-0.487794
+C	-0.4686910337	 2.6159426101	-0.1147009802	-0.072105
+C	-0.5876995503	 3.2421053633	 1.3036773658	-0.246885
+C	-1.5260494026	 2.0560475779	 1.5582871545	-0.175489
+C	-1.887383363	 2.8456981423	-0.6759838572	-0.244302
+H	-4.289003914	 1.5288759752	 1.1355779683	 0.277296
+H	-2.3257690362	-0.2404936461	 0.6761506174	 0.07487
+H	-2.0287655206	 0.2035627146	-1.0396806169	 0.0966
+H	 0.2710041763	-0.229507563	 1.4171624132	 0.279203
+H	 0.3889549402	 2.8008268133	-0.7601715831	 0.069369
+H	 0.3356192679	 3.143284053	 1.8799383985	 0.105705
+H	-0.970385432	 4.2646142349	 1.3779039973	 0.090153
+H	-1.8458891727	 1.7012803806	 2.5399177734	 0.052556
+H	-2.2050760244	 3.8897357594	-0.6085669843	 0.101112
+H	-2.0367177928	 2.4934517947	-1.7000919853	 0.095472
+19
+0 2093	2.3637788	1.6649877	1.5009957	1.887	75.61	-0.24523	0.06373	0.30896	1007.7503	0.155259	-422.504097	-422.495345	-422.494401	-422.536548	34.119
+C	 1.0638823006	 0.8396456876	 1.5662531915	-0.525408
+C	 1.3546239862	 0.1987558943	 0.2386896566	 0.281245
+C	 0.348099722	-0.3125912251	-0.8223379527	-0.381276
+C	 1.7375600503	-0.6048618584	-1.4251266432	 0.37459
+O	 2.0744018598	-1.1267856462	-2.6589176486	-0.479575
+C	 2.3657875239	 0.700933399	-0.8560842591	-0.126882
+C	 3.5659747458	-0.0495087274	-0.2336729405	-0.347217
+C	 2.3579659352	-0.9894191092	-0.0443847435	 0.297753
+O	 2.303534397	-2.279152928	 0.4559534106	-0.48351
+H	 0.5041502679	 0.1572943663	 2.2164584287	 0.119518
+H	 1.9861193198	 1.1199023724	 2.0880843641	 0.117578
+H	 0.461932283	 1.747077305	 1.446710193	 0.124559
+H	-0.2612924588	-1.1766084928	-0.5384981148	 0.093569
+H	-0.25808365	 0.4455486183	-1.3288492896	 0.090093
+H	 1.8618586362	-2.066914087	-2.6533659714	 0.289066
+H	 2.3414345803	 1.6777440145	-1.3345989838	 0.080206
+H	 4.3403966852	-0.3857033196	-0.9278146498	 0.106151
+H	 4.0099497608	 0.3889439344	 0.6663639307	 0.084951
+H	 2.613204915	-2.2711345583	 1.3681895718	 0.28459
+19
+0 2094	2.339834	1.6932738	1.4582651	0.8883	75.44	-0.2302	0.07472	0.30491999999999997	1021.6293	0.154401	-422.490495	-422.481648	-422.480703	-422.523158	34.071
+C	 2.8509025967	 1.3861516953	-1.2227618427	-0.523892
+C	 1.8686893529	 1.8805105421	-0.2022208951	 0.270832
+C	 0.9232790951	 3.111227814	-0.2350283114	-0.366752
+C	 0.6283428418	 2.4788097131	 1.1273653233	 0.346331
+O	-0.2785067814	 2.951378777	 2.0441360812	-0.466887
+C	 2.1124014905	 2.0233141012	 1.3331554118	-0.046516
+O	 1.7703292974	 0.6392951916	 1.6400752176	-0.371607
+C	 0.8206510885	 1.0107576073	 0.5829810773	 0.331494
+C	-0.168394121	 0.0004644091	 0.1007094144	-0.529733
+H	 3.354173405	 0.4867281813	-0.8527366313	 0.13442
+H	 2.3538065988	 1.1364535637	-2.1665308003	 0.120923
+H	 3.6153250116	 2.14005678	-1.4392735014	 0.122713
+H	 1.4033477566	 4.093999647	-0.2222765503	 0.100317
+H	 0.1144890509	 3.088455643	-0.9713047594	 0.099842
+H	-0.2384867122	 2.3759641946	 2.8183830128	 0.292734
+H	 2.9381914977	 2.4926164489	 1.8684228673	 0.08791
+H	-0.8237381477	-0.3193685005	 0.9173235947	 0.131739
+H	-0.7927139301	 0.4289024606	-0.6898862734	 0.131289
+H	 0.338921739	-0.8834021794	-0.2988528453	 0.134844
+19
+0 2095	2.2864109	1.6813064	1.499907	2.3351	75.44	-0.22696	0.04963	0.27659	1006.1938	0.154824	-422.499011	-422.490133	-422.489189	-422.53165	34.368
+C	 0.340959264	-0.8651695542	 1.2846201306	-0.519415
+C	 1.5904329517	-0.437797487	 0.5667113728	 0.200837
+C	 3.0412311886	-0.9551609433	 0.7266633793	-0.348367
+C	 3.1776666593	 0.1259716339	-0.365661247	-0.187305
+C	 2.0940277276	 1.042644753	 0.3148266436	 0.395323
+O	 2.2744625004	 2.0517963468	 1.2368357263	-0.474222
+C	 1.2804498986	 1.2090627217	-0.9732840381	-0.353706
+C	 1.7810437467	-0.2393333231	-0.9930888546	 0.395331
+O	 1.4980093676	-1.128666251	-2.007987959	-0.474224
+H	 0.4285128988	-0.7077135047	 2.3657255635	 0.117328
+H	-0.5281202449	-0.2964242353	 0.9362206135	 0.126653
+H	 0.1296833145	-1.9278537284	 1.1193431907	 0.117329
+H	 3.5352725126	-0.760871109	 1.6861981297	 0.080566
+H	 3.2345485532	-1.9928208478	 0.429305824	 0.080567
+H	 4.0596277956	 0.4659470259	-0.909960161	 0.071744
+H	 2.8464089175	 1.7291617641	 1.9425724721	 0.286369
+H	 0.2023470549	 1.3591512043	-0.8624083289	 0.099615
+H	 1.6964086618	 1.8801949501	-1.7306378778	 0.099206
+H	 1.9450589116	-1.9626511461	-1.8238779796	 0.286369
+19
+0 2096	2.2751004	1.7170983	1.5058669	0.5997	75.65	-0.22837	0.0729	0.30127	1018.7498	0.154313	-422.494528	-422.485649	-422.484704	-422.527233	34.157
+C	 4.7564427201	-0.0850630524	 0.2671510605	-0.526712
+C	 3.2768446715	 0.0929712824	 0.1668200275	 0.376355
+O	 2.4131631938	-1.0913163472	 0.1363751916	-0.399649
+C	 1.4659129934	 0.0254213741	 0.0654918595	 0.376355
+C	 0.0016813746	-0.2624221644	 0.0011112216	-0.526712
+C	 2.2875051111	 0.938644265	 1.0288723177	-0.179171
+C	 2.2993664898	 2.1213686153	 0.0284179894	-0.32774
+C	 2.3957474035	 0.8868222615	-0.8710965364	 0.305845
+O	 2.4721829617	 0.8965213171	-2.2436141056	-0.468814
+H	 5.0216182147	-0.6404975483	 1.1720989472	 0.134911
+H	 5.1384505788	-0.6362084639	-0.5983646855	 0.129308
+H	 5.2541488	 0.8892485159	 0.2995589419	 0.131
+H	-0.3206654998	-0.8397723852	 0.8731865545	 0.134911
+H	-0.5675133166	 0.6720924187	-0.0261748304	 0.131
+H	-0.2395380528	-0.8368145484	-0.8992749633	 0.129309
+H	 2.2263105034	 0.950004311	 2.1149601097	 0.084288
+H	 1.3807022248	 2.7096907144	-0.0439075748	 0.101881
+H	 3.1741244942	 2.7765870039	 0.0564396978	 0.101881
+H	 2.5228965737	-0.0220457694	-2.5373132328	 0.291756
+19
+0 2097	2.2605804	1.7375716	1.468643	0.4438	75.91	-0.23427	0.07274	0.30701	1033.4287	0.153046	-422.477137	-422.468024	-422.467079	-422.510154	34.405
+C	 2.0428020448	 2.1245491553	 0.6530873618	-0.538613
+C	 2.1955689546	 1.098066857	-0.4181767154	 0.379864
+O	 3.2983742432	 0.1400674428	-0.3653209261	-0.378838
+C	 2.6119671221	-0.2497551512	-1.5956151738	 0.379866
+C	 3.1272504855	-1.3856866415	-2.4133885729	-0.538613
+C	 2.222192099	 1.213122895	-1.9742461622	-0.05335
+O	 0.8067680249	 0.9193735166	-2.1385547366	-0.362977
+C	 1.1817573743	 0.055983918	-1.0176099583	 0.327893
+C	 0.1635657066	-0.8226230563	-0.3719557786	-0.541182
+H	 1.9020770921	 1.6495061209	 1.628984943	 0.134217
+H	 2.9279835453	 2.7657104262	 0.706553405	 0.136727
+H	 1.1704884033	 2.749465725	 0.4381787543	 0.139574
+H	 3.1260868237	-2.3138051237	-1.8333536557	 0.134212
+H	 2.4901109612	-1.5209378874	-3.2928187646	 0.139575
+H	 4.1503458229	-1.1906255695	-2.7491262232	 0.136731
+H	 2.6938565012	 1.9384111858	-2.6376802038	 0.093968
+H	 0.6319284303	-1.3873647322	 0.4402787327	 0.13901
+H	-0.6569695051	-0.2288434424	 0.0428373246	 0.135969
+H	-0.25470516	-1.5306218285	-1.0942390301	 0.135968
+19
+0 2098	2.4751191	1.8953188	1.3913186	0.9745	74.53	-0.22617	0.0713	0.29747	988.3737	0.157014	-422.531077	-422.523036	-422.522092	-422.563013	31.596
+C	-0.0451665095	 0.1166357096	 0.1832960027	-0.520968
+C	 1.4538707101	 0.0421664005	 0.1103648263	 0.300656
+C	 2.3651295477	-1.217466873	 0.119065364	-0.33544
+C	 3.3404172817	-0.0381821904	 0.0302800819	 0.381625
+O	 4.7147300439	-0.1504279223	-0.0309702704	-0.477478
+C	 2.3781080766	 0.6825833696	-0.9876377975	-0.159809
+C	 2.4590755042	 2.170139976	-0.6789316651	-0.126309
+O	 2.5334666003	 2.1458858017	 0.7611866341	-0.289885
+C	 2.4764676357	 0.7557065463	 1.0463972136	 0.017672
+H	-0.4202744785	-0.3690658486	 1.0905955446	 0.122716
+H	-0.3828408655	 1.158455559	 0.2008000102	 0.128445
+H	-0.5121673695	-0.3755194324	-0.6767004108	 0.120734
+H	 2.384748664	-1.8062825813	 1.0414027428	 0.092973
+H	 2.3021285838	-1.8631165174	-0.7604069584	 0.098446
+H	 5.0962281082	 0.7052167508	 0.1962265902	 0.290482
+H	 2.3182284148	 0.3429711401	-2.0218540184	 0.072544
+H	 3.3527228428	 2.6541760105	-1.0953349332	 0.096965
+H	 1.5774513619	 2.7397294804	-0.9986909382	 0.103504
+H	 2.5127437272	 0.5734360109	 2.1203852516	 0.083126
+19
+0 2099	2.365612	1.9535851	1.3893169	1.2586	74.96	-0.22853	0.08512	0.31365	1003.576	0.155836	-422.514177	-422.505948	-422.505004	-422.546404	31.827
+C	 4.7266582736	 0.3524435027	 0.0559035682	-0.531579
+C	 3.263534139	 0.0917436416	-0.1010894947	 0.402685
+O	 2.3051247612	 0.8854480311	 0.6836922775	-0.378288
+C	 1.4473839913	-0.026622052	-0.0888371918	 0.402687
+C	-0.0349603762	 0.0421105835	 0.0880105502	-0.531581
+C	 2.4383981809	-1.2149270235	 0.1473302663	-0.17214
+C	 2.4824767863	-2.0241705275	-1.1370391888	-0.115941
+O	 2.4075016519	-0.9771422175	-2.1343299069	-0.281409
+C	 2.336786379	 0.189123021	-1.3501683224	 0.015789
+H	 5.055699719	 0.1418876614	 1.078321792	 0.131915
+H	 5.2970456728	-0.2817418921	-0.6302918368	 0.132429
+H	 4.9557091718	 1.3978995827	-0.1725889281	 0.135628
+H	-0.320178693	-0.2087630501	 1.1144869333	 0.131911
+H	-0.4007550201	 1.0488783794	-0.1361873049	 0.135631
+H	-0.5273831739	-0.661118923	-0.5912427454	 0.132431
+H	 2.4770406931	-1.7073916353	 1.118052118	 0.080104
+H	 3.4109508257	-2.5935783934	-1.2669194753	 0.107526
+H	 1.6341079133	-2.7093933364	-1.2549279297	 0.107527
+H	 2.2737890642	 1.0933460375	-1.9529899907	 0.094675
+19
+0 2100	2.4072781	1.9013677	1.404711	2.3954	74.51	-0.24033	0.06821	0.30854	979.8634	0.157686	-422.540426	-422.532473	-422.531529	-422.572203	31.812
+O	 0.4096907331	 0.6557713715	 0.1107080652	-0.481655
+C	-0.8200748786	 0.9631142893	 0.6618946899	 0.407063
+C	-1.2737184831	 0.8763868462	 2.1438294675	-0.382065
+C	-2.5211672291	 1.2825978099	 1.3142484865	 0.407063
+O	-3.8268384987	 1.4514905951	 1.7353007209	-0.481659
+C	-2.1307297339	 0.2621663386	 0.2098221412	-0.081468
+C	-2.5503938542	 0.8114681364	-1.1535507019	-0.246866
+C	-2.1939496294	 2.3155047195	-0.9607693187	-0.240691
+C	-1.6534889299	 2.2768854716	 0.4674729624	-0.156446
+H	 1.066395002	 1.261091677	 0.4712371242	 0.28316
+H	-1.2867191528	-0.1183607088	 2.5970998175	 0.096182
+H	-0.8691889125	 1.6280646198	 2.8305932855	 0.0764
+H	-3.8544123538	 2.1838383657	 2.3602485549	 0.283161
+H	-2.2502722955	-0.8022952392	 0.4194466208	 0.066206
+H	-1.9891456034	 0.3476650111	-1.9695966744	 0.104004
+H	-3.6152627417	 0.653113537	-1.3459728902	 0.10401
+H	-1.4420856066	 2.6636191025	-1.6756275912	 0.097772
+H	-3.0669897682	 2.9688676658	-1.0524999176	 0.0978
+H	-1.3005734238	 3.2002388211	 0.9355104177	 0.048027
+19
+0 2101	2.8705273	1.5583479	1.206322	1.5514	75.43	-0.21639	0.05924	0.27563	1071.1462	0.155431	-422.512413	-422.503855	-422.502911	-422.544596	34.051
+C	 0.8619244451	 2.8578586194	-1.7410569681	-0.497695
+C	 1.9644451138	 1.9333047463	-1.296619317	 0.320852
+C	 3.0547750775	 1.4393438698	-2.3048480924	-0.347043
+C	 3.1568084702	 0.2341626413	-1.3857571536	 0.3104
+O	 3.7640267821	-0.9965225854	-1.5952950407	-0.47309
+C	 1.7708944486	 0.4275879775	-0.8181292248	-0.280001
+C	 2.9736787904	 0.7165198434	 0.0647438373	 0.378711
+O	 3.5005063611	-0.0037846925	 1.1136561579	-0.476833
+C	 2.7631800044	 2.2129819993	 0.0225155226	-0.326827
+H	 0.1260418063	 3.0088816206	-0.9440426176	 0.119823
+H	 1.2652793702	 3.8406428089	-2.0132637598	 0.118874
+H	 0.3350383738	 2.4596686656	-2.6146600272	 0.118397
+H	 2.6140473657	 1.1744268731	-3.2715458845	 0.09992
+H	 3.9329322156	 2.0802612701	-2.4547051835	 0.082714
+H	 4.7175721076	-0.8533215398	-1.6408053495	 0.28857
+H	 0.9121118133	-0.2236977439	-0.7435847762	 0.096848
+H	 3.8118687096	-0.8418876285	 0.7443616385	 0.280061
+H	 2.099692552	 2.5557981115	 0.8229481085	 0.101899
+H	 3.6384309329	 2.8710009935	-0.04321639	 0.084419
+19
+0 2102	2.8015024	1.5675958	1.1936392	1.3388	75.52	-0.22938	0.07431	0.30369	1072.259	0.155405	-422.518077	-422.509463	-422.508519	-422.550324	34.204
+C	-0.0963080141	 0.1228726002	-0.0306508881	-0.499823
+C	 1.400626104	 0.1380228093	 0.0538815822	 0.303063
+C	 2.3183254924	 1.3660311485	 0.0504687177	-0.348905
+C	 3.437730263	 0.3943448592	 0.5033873099	 0.395879
+O	 4.5741057741	 0.8131841869	 1.1713947506	-0.473601
+C	 3.6592071591	-0.5254479587	-0.7201961301	-0.334172
+C	 2.2541963658	-1.042970812	-0.4243002463	 0.360127
+O	 1.6218933576	-2.1308395033	-0.9915042527	-0.462605
+C	 2.3041227415	-0.6083863292	 1.0264580896	-0.320377
+H	-0.5462424646	 0.7275101916	 0.7647764699	 0.111076
+H	-0.4407996108	 0.5247433931	-0.9906859523	 0.120404
+H	-0.4785381902	-0.897855653	 0.0539147029	 0.131682
+H	 2.4746865256	 1.9231661117	-0.8814859601	 0.090014
+H	 2.0339540371	 2.0584636951	 0.8525253195	 0.083237
+H	 4.3079103636	 1.4168673944	 1.8731833067	 0.280363
+H	 3.8679976432	-0.0478141815	-1.6841063659	 0.092076
+H	 4.4199079938	-1.2808865898	-0.4978157915	 0.095856
+H	 2.0976265445	-2.9266997999	-0.7299960226	 0.286206
+H	 2.1061207643	-1.1172949826	 1.9593183506	 0.0895
+19
+0 2103	2.7410992	1.6349899	1.2207828	0.5207	75.57	-0.21228	0.07019	0.28247	1073.0149	0.154444	-422.507163	-422.498344	-422.4974	-422.539724	34.256
+C	 4.2585110291	-1.8077840264	 0.5877236486	-0.517222
+C	 3.1731713064	-0.8418572944	 0.2613870759	 0.403647
+O	 2.0275288154	-1.2691686926	-0.4812580917	-0.359482
+C	 1.4071186484	 0.0074221658	-0.1107009676	 0.419503
+C	-0.0869807775	-0.0355591663	-0.0402444267	-0.50168
+C	 2.2051972272	 1.0417147343	-0.9572541106	-0.336758
+C	 3.3717698567	 0.6629478736	-0.044562487	 0.29357
+O	 4.5682473908	 1.321805459	 0.1469723539	-0.457075
+C	 2.4452723271	 0.1928617631	 1.0641746057	-0.306426
+H	 3.8946565824	-2.61806097	 1.2269396427	 0.131466
+H	 4.6656635468	-2.2539879239	-0.3268497098	 0.127265
+H	 5.0689072913	-1.2896832905	 1.1086921775	 0.133519
+H	-0.4191357891	-0.7974035423	 0.6705961566	 0.130723
+H	-0.4859549227	 0.934519099	 0.2707097345	 0.123084
+H	-0.5017779427	-0.2794842693	-1.0243358438	 0.132037
+H	 2.2692254855	 0.8427701817	-2.0325065166	 0.090819
+H	 1.8724215959	 2.0657486124	-0.7668481977	 0.104059
+H	 5.1734777285	 1.0649989241	-0.5581591208	 0.288837
+H	 2.3686107205	 0.4220219726	 2.118425887	 0.100115
+19
+0 2104	2.4340783	1.593748	1.3939792	1.8008	75.66	-0.23472	0.06797	0.30269	1034.2219	0.155599	-422.517808	-422.509071	-422.508127	-422.550344	34.064
+C	-0.144709885	-0.3614100871	 0.2060611228	-0.533442
+C	 1.3131252884	-0.1033472338	 0.0230006174	 0.208801
+C	 2.5070287469	-0.1228219222	 0.9642811916	-0.19448
+C	 3.3114475706	-1.0560142076	 0.0601701218	-0.303434
+C	 2.3991289442	-0.5382060341	-1.0828436718	 0.351208
+O	 2.1800733413	-1.2503908248	-2.2490975795	-0.471203
+C	 2.7792168505	 0.9517171409	-1.2485034731	-0.339052
+C	 2.1549694066	 1.1320823705	 0.1337663759	 0.35616
+O	 1.7516995442	 2.3109681848	 0.7280348777	-0.467004
+H	-0.5309423443	 0.2174851281	 1.0516339818	 0.134209
+H	-0.7149166848	-0.0682683733	-0.6827810014	 0.127912
+H	-0.3545594878	-1.4195316057	 0.4022134067	 0.112455
+H	 2.477484698	-0.0891387298	 2.0462849104	 0.084465
+H	 4.3924486561	-0.9090028524	-0.0498072834	 0.089896
+H	 3.105623684	-2.1074199434	 0.2955354181	 0.086209
+H	 2.0136813307	-2.170449065	-2.0173180869	 0.28022
+H	 3.8386955289	 1.1872296979	-1.4056327476	 0.082932
+H	 2.1656294111	 1.4241569964	-2.020176077	 0.109632
+H	 2.5165145706	 2.7166812507	 1.1514421864	 0.284516
+19
+0 2105	2.4984981	1.6089705	1.3700767	0.6448	75.26	-0.2131	0.07371	0.28681	1044.9137	0.154725	-422.503251	-422.494357	-422.493413	-422.536033	34.084
+C	 2.9526484715	 2.0220222248	 0.5975757225	-0.532414
+C	 2.2868289397	 0.8497046178	 1.2387305574	 0.18698
+C	 1.7495589279	 0.5476330565	 2.6023596213	-0.036549
+O	 0.4632725996	 0.1107527454	 2.1721626739	-0.334646
+C	 1.0716144	-0.1024784589	 0.8543243563	 0.373166
+C	 0.1136425441	 0.0175707488	-0.2894509874	-0.501687
+C	 1.9915825706	-1.336526644	 1.0867274383	-0.337336
+C	 2.8041576846	-0.3835107481	 1.9614589045	 0.284969
+O	 4.0842996912	-0.5332469943	 2.4515867051	-0.459314
+H	 3.7787710995	 2.3739877796	 1.2239941852	 0.136126
+H	 3.3725412183	 1.7628748864	-0.3811906608	 0.123023
+H	 2.2568539459	 2.8564668178	 0.4567618004	 0.125141
+H	 1.8630635007	 1.0449987938	 3.5578231895	 0.103187
+H	-0.6639472666	-0.7499660737	-0.2099415284	 0.13362
+H	-0.3718844488	 0.9976499992	-0.2884869424	 0.130447
+H	 0.6327457745	-0.1174882648	-1.2430642547	 0.122942
+H	 1.5167315591	-2.2163111955	 1.5345772209	 0.091021
+H	 2.5417710067	-1.6082192887	 0.1816168983	 0.10274
+H	 4.0410912716	-1.037727812	 3.2718682502	 0.288583
+19
+0 2106	2.5343201	1.5863752	1.3591253	2.6209	75.64	-0.22462	0.06093	0.28554999999999997	1056.2084	0.154697	-422.500611	-422.491692	-422.490748	-422.533446	34.087
+C	 4.6235684682	-0.3904899932	 1.675133353	-0.512312
+C	 3.3441823378	-0.2456469215	 0.9081640565	 0.200326
+C	 2.1654033266	-1.2129366919	 0.7989783911	-0.310178
+C	 1.4147500856	-0.0680442043	 0.0624797465	 0.338573
+C	-0.069765386	 0.0065434098	-0.1025781665	-0.504685
+O	 2.1659023395	 0.0497753828	-1.1867863479	-0.323324
+C	 3.2373081974	 0.58027869	-0.416647146	-0.004472
+C	 2.4253392535	 0.9660294647	 0.7589768581	 0.224445
+O	 2.2973234485	 2.1623552419	 1.4141148363	-0.447029
+H	 5.2351149152	-1.2091525521	 1.2788497597	 0.127281
+H	 5.221091527	 0.5262516562	 1.6210686769	 0.124709
+H	 4.4390754047	-0.600471747	 2.7355131739	 0.114773
+H	 2.2930597344	-2.1369448817	 0.2251240159	 0.096341
+H	 1.7279761539	-1.428622012	 1.779054275	 0.089114
+H	-0.5712522255	-0.0815198428	 0.8660902015	 0.117291
+H	-0.361243571	 0.954952336	-0.5623433172	 0.136751
+H	-0.4195845567	-0.8092720107	-0.7449477666	 0.133245
+H	 4.0823567656	 1.0392919788	-0.9127179807	 0.108124
+H	 2.1114555211	 1.9885509669	 2.3442709104	 0.291027
+19
+0 2107	2.4869807	1.5813475	1.3978195	1.571	75.71	-0.2255	0.06731	0.29281	1038.1479	0.155277	-422.512655	-422.503743	-422.502799	-422.545435	34.287
+C	 1.7858329674	 2.0342865191	-0.6265590811	-0.504612
+C	 1.8891729471	 0.9218917927	 0.3728925475	 0.296938
+C	 2.2861616627	 1.0228329516	 1.8493192049	-0.34674
+C	 2.4241898803	-0.5262439948	 1.807770109	 0.307658
+O	 3.3457723157	-1.2140467209	 2.5810270121	-0.482446
+C	 0.963730271	-1.0301767725	 1.6149932784	-0.295628
+C	 1.0354574658	-0.3828652023	 0.2338013391	-0.197366
+C	 2.5475128413	-0.4127793671	 0.2179980748	 0.291743
+O	 3.4919022265	-0.8045423557	-0.6909321399	-0.449858
+H	 1.637400551	 1.6398451168	-1.6371595488	 0.123253
+H	 0.9453793693	 2.7006628905	-0.4002166701	 0.116634
+H	 2.6989791542	 2.6397422224	-0.6400253807	 0.121651
+H	 3.2637312584	 1.501494873	 1.9603214551	 0.102293
+H	 1.5711818704	 1.4501192038	 2.5641019653	 0.078631
+H	 3.1209592195	-1.090168617	 3.5102425423	 0.280435
+H	 0.9283077179	-2.1218484995	 1.5516577881	 0.095764
+H	 0.2111800359	-0.67066203	 2.326924095	 0.083076
+H	 0.3523577192	-0.4890956015	-0.5994004964	 0.085709
+H	 3.4635252363	-1.7650096187	-0.7711716345	 0.292866
+19
+0 2108	2.4618203	1.5805203	1.3941069	1.3777	75.43	-0.22792	0.0614	0.28932	1039.3576	0.155428	-422.50884	-422.50003	-422.499086	-422.541447	34.205
+C	-0.1159829163	 0.2094617612	-0.1864136606	-0.501177
+C	 1.3476662166	-0.0183913007	 0.0802716308	 0.243389
+C	 2.1109728086	 0.763213743	 1.1942747181	-0.271052
+C	 3.3619124614	 0.5584831611	 0.3487131685	-0.191041
+C	 3.2452338723	-0.8584156722	-0.3038471678	 0.30809
+O	 4.3442379017	-1.5118233102	-0.8213925065	-0.470223
+C	 1.9360607804	-1.4635562444	 0.1885693436	-0.335825
+C	 2.563269668	 0.3326814771	-0.909504801	 0.29224
+O	 2.641572146	 0.9681289037	-2.1197059205	-0.453245
+H	-0.726268143	-0.119562087	 0.66346832	 0.118078
+H	-0.3258361243	 1.2707426525	-0.3572059709	 0.122791
+H	-0.454780956	-0.3437440754	-1.0695924362	 0.111909
+H	 1.8123960591	 1.81569494	 1.2296327586	 0.09944
+H	 2.0801788523	 0.3393670299	 2.2051297866	 0.083335
+H	 4.3376650483	 1.0223051643	 0.4240777825	 0.087172
+H	 4.9192909204	-1.7735216431	-0.0938140906	 0.286037
+H	 1.502629171	-2.1367251121	-0.558026631	 0.093291
+H	 1.9055666784	-1.9370833001	 1.177582721	 0.082369
+H	 2.5216138251	 0.3150224824	-2.8184478443	 0.294425
+19
+0 2109	2.3528358	1.6474596	1.4310882	0.9665	75.76	-0.21988	0.06383	0.28371	1042.4908	0.154747	-422.505346	-422.496463	-422.495519	-422.538137	34.058
+C	 4.35522234	-1.7758918238	 0.8200808797	-0.51322
+C	 3.266628663	-0.8449011938	 0.4105572614	 0.376506
+O	 2.0576774587	-1.3649933041	-0.1425847687	-0.352893
+C	 1.4741943214	-0.0317044169	-0.0214478112	 0.336293
+C	-0.0126585689	-0.0206152743	 0.1437520781	-0.505579
+C	 2.2420142985	 0.7771574248	-1.1045224951	-0.263858
+C	 3.4701750165	 0.5712576561	-0.2241700961	-0.201114
+C	 2.6326651127	 0.3627721172	 1.0177712669	 0.211686
+O	 2.6872328755	 1.0189470439	 2.2190833903	-0.444622
+H	 3.9882083831	-2.5190063897	 1.535912703	 0.125449
+H	 4.7632535088	-2.3095747832	-0.0449156887	 0.134417
+H	 5.1698097244	-1.2173848581	 1.2906165373	 0.130534
+H	-0.3153631101	-0.6100005819	 1.0145643651	 0.122699
+H	-0.3763223479	 1.0032853106	 0.2707470501	 0.127051
+H	-0.495701468	-0.4498096921	-0.7411792198	 0.13347
+H	 2.2310487397	 0.3497945818	-2.1121775468	 0.096153
+H	 1.9324929531	 1.8257488654	-1.1257119878	 0.102662
+H	 4.4530752086	 1.0198922288	-0.2952495195	 0.09105
+H	 2.3575989808	 0.4281607694	 2.9064141918	 0.293317
+19
+0 2110	3.5217948	1.5039811	1.4310364	1.6517	73.48	-0.23275	0.08796	0.32071	1005.8199	0.157162	-422.565406	-422.557646	-422.556701	-422.597025	31.022
+C	 4.6159572288	-0.167342082	 2.1194374957	-0.501552
+C	 3.3681629771	 0.1979222494	 1.366940528	 0.223621
+C	 2.1427009658	-0.696756286	 1.2385452653	-0.310029
+C	 1.3309437353	 0.3025600527	 0.3778814214	 0.443374
+C	-0.053038292	-0.0165123947	-0.1039992606	-0.487816
+O	 1.3699800374	 1.4946503332	 1.1721055927	-0.280453
+C	 2.7709706169	 1.6036866346	 1.3166761656	-0.002453
+C	 3.3489051327	 0.9922727774	 0.0615724334	-0.002439
+O	 2.2322666336	 0.5823734314	-0.7004297065	-0.280463
+H	 4.403546644	-0.3532740056	 3.1784187237	 0.123155
+H	 5.0809005097	-1.0701525578	 1.7072589902	 0.123157
+H	 5.3587445609	 0.6362699289	 2.0698411435	 0.117994
+H	 2.3405450585	-1.6291878873	 0.7039757846	 0.106221
+H	 1.6543305415	-0.9031455211	 2.1941780873	 0.106222
+H	-0.7142350128	-0.1932338893	 0.7473086096	 0.132663
+H	-0.4428241585	 0.8191017708	-0.689388078	 0.141882
+H	-0.0341150321	-0.9111802552	-0.7303733821	 0.132693
+H	 3.1199215171	 2.4776490225	 1.8479231883	 0.107111
+H	 4.2038536061	 1.3309440481	-0.506024182	 0.10711
+19
+0 2111	3.3636368	1.4929	1.4110601	0.7567	73.32	-0.21808	0.07581	0.29389	999.6869	0.157698	-422.56679	-422.559164	-422.558219	-422.598097	31.331
+C	 0.1574177491	-0.4397820134	-0.6898198047	-0.479926
+C	 1.5287242226	-0.0921707629	-0.1722836427	 0.365098
+C	 2.5062091177	 0.6834569363	-1.0978835911	-0.251392
+C	 3.5789574031	 0.9041555014	-0.0434390843	-0.152261
+C	 2.7986647932	 0.9686348982	 1.2601317693	 0.003303
+O	 1.4269585364	 0.7938820941	 0.9714258092	-0.289174
+C	 3.5353067962	-0.3001005585	 0.8892338769	 0.352694
+O	 4.6967529191	-0.7419993093	 1.5024719316	-0.474302
+C	 2.4384539035	-1.2239170977	 0.3698120371	-0.326601
+H	-0.4309758648	-0.9445338902	 0.081911886	 0.126004
+H	-0.377798457	 0.4656087849	-0.9910970703	 0.127114
+H	 0.2318326699	-1.1024968236	-1.5569596563	 0.119141
+H	 2.8401844274	 0.0808774184	-1.9473200542	 0.100439
+H	 2.0631317511	 1.614439708	-1.4639696664	 0.102371
+H	 4.4905452386	 1.4649368458	-0.1976304275	 0.095791
+H	 3.026576774	 1.6119753829	 2.0985185453	 0.102405
+H	 4.4666096227	-1.0757714483	 2.3769849218	 0.283739
+H	 2.780804312	-1.9054820365	-0.4136850216	 0.10353
+H	 1.947760105	-1.7943981097	 1.1657070418	 0.092027
+19
+0 2112	3.2098957	1.6149504	1.4808747	1.436	73.66	-0.23219	0.09071	0.3229	986.2269	0.157134	-422.569625	-422.561878	-422.560933	-422.601223	31.05
+C	 4.5566016769	-1.1180649395	-1.4217406496	-0.502886
+C	 3.4871916312	-0.4516487391	-0.620776006	 0.420454
+O	 2.1572696404	-0.6363352322	-1.0817589409	-0.311745
+C	 1.4580779364	 0.0619033354	-0.0483279086	 0.439186
+C	-0.0301255486	-0.0934872912	-0.1555658561	-0.488358
+C	 2.1293710328	 1.4598882731	-0.0776809666	-0.258787
+C	 3.5405224894	 0.9164968437	 0.0607508168	-0.221757
+C	 3.3561613554	-0.3603258223	 0.8804122455	-0.003071
+O	 1.9792878418	-0.5061394734	 1.1596754713	-0.282437
+H	 5.5327982308	-0.9634558194	-0.9531022771	 0.122974
+H	 4.3746777787	-2.195304104	-1.4897782045	 0.134051
+H	 4.5993822532	-0.7119268819	-2.4376998843	 0.129771
+H	-0.5205120708	 0.4257145279	 0.6710479194	 0.132718
+H	-0.3835254495	 0.328457418	-1.0991509043	 0.132161
+H	-0.2963160102	-1.1521009282	-0.1177915416	 0.14105
+H	 1.9495254824	 1.9756491448	-1.0235278024	 0.10772
+H	 1.8129950221	 2.0823936708	 0.762373864	 0.108225
+H	 4.4326839994	 1.5258652764	 0.0995086485	 0.093256
+H	 4.0288037481	-0.7629832288	 1.6238931565	 0.107475
+19
+0 2113	3.2033105	1.4905972	1.3941356	2.6019	73.31	-0.22794	0.0687	0.29664	994.8537	0.157923	-422.574561	-422.566702	-422.565758	-422.606372	31.8
+O	-2.767220374	 3.8152417217	 1.4624602549	-0.484846
+C	-1.90953146	 2.7460831064	 1.6914002507	 0.436653
+C	-1.4261911778	 1.9704050259	 0.4806041998	-0.284554
+C	-0.5558112004	 0.9549790037	 1.2520116521	 0.372659
+O	 0.0794305595	 0.0325623897	 0.4114365048	-0.497175
+C	-1.5627156921	 0.4087738462	 2.3044010726	-0.271882
+C	-2.0048682826	 1.7616501178	 2.8413980464	-0.147184
+C	-0.7949747957	 2.7060591427	 2.7193656173	-0.147328
+C	 0.3384145095	 1.8927256921	 2.1126814703	-0.271876
+H	-2.9921731299	 4.2175911682	 2.30729436	 0.281328
+H	-2.2386208463	 1.486582624	-0.0694903779	 0.104797
+H	-0.8374015834	 2.5803374645	-0.2107987015	 0.104778
+H	 0.5995227333	-0.563461981	 0.9606652291	 0.276725
+H	-2.3691822659	-0.1617194814	 1.8332243085	 0.102435
+H	-1.076607074	-0.2236962669	 3.0575913895	 0.083249
+H	-2.7286974786	 1.8798866119	 3.6389354339	 0.078286
+H	-0.6394868971	 3.5105909939	 3.4282767796	 0.078246
+H	 1.0192066186	 2.483098524	 1.4915226872	 0.102427
+H	 0.9276506968	 1.3407949466	 2.8554997927	 0.083263
+19
+0 2114	2.7757551	1.6830713	1.3023757	1.2515	74.45	-0.23708	0.07833	0.31541	1021.0991	0.156842	-422.539027	-422.531056	-422.530111	-422.570767	31.952
+C	 0.0359155046	 0.1617393599	 0.2151932688	-0.47623
+C	 1.4730292663	-0.1535454484	-0.1164225536	 0.419242
+C	 1.9623048114	-1.6452655482	-0.013685898	-0.354048
+C	 3.2353866564	-1.1039716676	 0.6357199488	 0.388527
+O	 4.0244708022	-1.7853447646	 1.5435895758	-0.465131
+C	 3.7545281358	 0.1030756439	-0.1368763506	-0.150958
+C	 3.2157376774	 0.358120239	-1.5388037319	-0.107882
+O	 1.7944786825	 0.3939269209	-1.3966285159	-0.30159
+C	 2.6214476081	 0.260714365	 0.8442405224	-0.185639
+H	-0.2265803765	-0.2279925556	 1.2024101626	 0.11953
+H	-0.1263235944	 1.2438604554	 0.2099424805	 0.125691
+H	-0.6335852793	-0.2878233106	-0.5244864121	 0.127394
+H	 1.3719742246	-2.2142781769	 0.710171223	 0.104736
+H	 2.0322921867	-2.2016374892	-0.9547824433	 0.088724
+H	 4.6395738092	-2.3425009097	 1.0537997868	 0.285018
+H	 4.741220988	 0.4517600481	 0.1444546112	 0.093833
+H	 3.5540830759	 1.3229817738	-1.9356320882	 0.103727
+H	 3.5071916991	-0.4239247779	-2.2546363791	 0.091721
+H	 2.593865282	 0.9249621825	 1.6972837527	 0.093334
+19
+0 2115	2.6729355	1.7152345	1.2987686	0.7592	74.08	-0.22009	0.08	0.30009	1022.9892	0.156952	-422.533344	-422.525373	-422.524429	-422.565101	31.865
+C	 0.0310300264	 0.0269573739	 0.2862319955	-0.495132
+C	 1.5166602791	 0.0119326384	-0.0089253786	 0.29241
+C	 2.0531635126	-1.0843626464	-0.9996732699	-0.341573
+C	 3.1966491437	-1.3364712554	-0.0212227578	 0.34647
+O	 3.8619147393	-2.5366011618	 0.150679577	-0.461989
+C	 3.7643466792	-0.0055243488	 0.4390439375	 0.029072
+O	 3.5529820706	 1.1477568642	-0.3489408304	-0.269764
+C	 2.1377618759	 1.3627355309	-0.386093322	-0.108403
+C	 2.5114823754	-0.5193083111	 1.0699229324	-0.224723
+H	-0.2074708218	 0.7355269999	 1.0876765428	 0.118732
+H	-0.543171379	 0.319011818	-0.600434006	 0.119476
+H	-0.3185095072	-0.962086479	 0.5976699692	 0.123982
+H	 1.378153006	-1.9436199216	-1.0398062766	 0.104888
+H	 2.3045963835	-0.7623608902	-2.0167906099	 0.091931
+H	 4.5948045538	-2.5682158374	-0.474716888	 0.286739
+H	 4.7087323355	-0.0137006155	 0.9707239822	 0.10349
+H	 1.8517984472	 2.1464750025	 0.3328322359	 0.087636
+H	 1.8646926559	 1.6933485873	-1.3942100002	 0.104023
+H	 2.3298516438	-0.7031328881	 2.1207886968	 0.092736
+19
+0 2116	2.7032607	1.7032748	1.2997861	1.1966	74.58	-0.22745	0.06656	0.29401	1027.4939	0.156794	-422.533289	-422.525236	-422.524292	-422.565168	31.953
+C	-0.039550052	-0.230026131	-0.1465227333	-0.504435
+C	 1.3018204848	 0.4343524873	-0.0315102791	 0.303014
+C	 1.906273327	 0.9991665813	 1.2595137768	-0.346158
+C	 3.3276675766	 0.8065239435	 0.63517006	 0.371804
+O	 4.3179476695	 0.175867688	 1.3929711365	-0.493083
+C	 3.7456842281	 2.0872901124	-0.1031076637	-0.128826
+O	 2.6830721704	 2.3155751872	-1.0301871662	-0.267576
+C	 2.0215225842	 1.0744299899	-1.2047014762	 0.066549
+C	 2.6902272688	-0.0472067535	-0.491179153	-0.219734
+H	-0.1476061022	-1.0374967022	 0.5868879336	 0.11939
+H	-0.8507212551	 0.4876246414	 0.0249270533	 0.123528
+H	-0.1852617137	-0.6637129692	-1.1416793651	 0.118564
+H	 1.6143922628	 2.0107854736	 1.5652934073	 0.089575
+H	 1.771345164	 0.3014765634	 2.0911404495	 0.102656
+H	 4.5390999018	 0.7461406946	 2.1374973089	 0.280852
+H	 3.8265970211	 2.9607630305	 0.5547667803	 0.095961
+H	 4.7034082813	 1.9368165114	-0.6239805475	 0.095479
+H	 1.5980006814	 0.9523661439	-2.1948923869	 0.099426
+H	 3.0538170612	-0.9827064722	-0.895655455	 0.093012
+19
+0 2117	2.6168763	1.8402828	1.3492867	2.127	74.69	-0.21094	0.08385	0.29479	1013.3289	0.156084	-422.525314	-422.517217	-422.516272	-422.557288	31.765
+C	 3.7536211122	-2.522495676	 0.0819241942	-0.502266
+C	 3.120745695	-1.1754222482	 0.1771843431	 0.436138
+O	 2.1693519142	-0.8043514407	-0.8256256316	-0.364093
+C	 1.5507874889	 0.1397950653	 0.1194965444	 0.387331
+C	 0.0489996132	 0.0429430356	 0.1400872058	-0.489727
+C	 2.1868776726	 1.4939803587	-0.1896259502	-0.094696
+O	 3.5875246953	 1.2906729648	 0.0264442592	-0.269339
+C	 3.7246063875	 0.0947545086	 0.7577038432	 0.03643
+C	 2.4131430269	-0.415596476	 1.2813944842	-0.318895
+H	 4.4393441314	-2.6829811766	 0.9192384025	 0.124124
+H	 2.9977261451	-3.3144405639	 0.0946797336	 0.128249
+H	 4.3253770406	-2.6089431107	-0.8484998538	 0.137248
+H	-0.371297089	 0.7139501665	 0.8964216256	 0.122711
+H	-0.3643108562	 0.3195485317	-0.8351876384	 0.132142
+H	-0.2642373939	-0.9793421629	 0.3659233268	 0.132692
+H	 2.0277995893	 1.7828314107	-1.2331741442	 0.114736
+H	 1.8059889357	 2.2877004659	 0.4718951723	 0.088279
+H	 4.6373942315	 0.0423593775	 1.3396730613	 0.104862
+H	 2.1167820897	-0.6435113003	 2.2971878921	 0.094073
+19
+0 2118	2.6421112	1.6973754	1.2808313	1.4272	73.94	-0.24586	0.07477	0.32062999999999997	1022.4599	0.157414	-422.547764	-422.539848	-422.538904	-422.579389	32.248
+O	-3.1676601285	 1.8176820643	 2.9325037435	-0.468799
+C	-2.1948494664	 1.9540415298	 1.9563486905	 0.399339
+C	-0.7319985799	 1.5394591324	 2.1221776601	-0.371327
+C	-0.6951475934	 1.2770040878	 0.5748190425	 0.430743
+O	-0.077900711	 0.1069771161	 0.1214408287	-0.497836
+C	-0.1657396629	 2.5010244537	-0.1778936087	-0.227588
+C	-1.1432953117	 3.6361776028	 0.2184470741	-0.247435
+C	-2.364049101	 2.8988349749	 0.7768993815	-0.108029
+C	-2.2546207684	 1.4067339191	 0.5521238648	-0.231771
+H	-3.1642944001	 2.6132956536	 3.4761823502	 0.283129
+H	-0.0126836843	 2.2514895183	 2.5443442072	 0.084999
+H	-0.6693490053	 0.5938740334	 2.6710019408	 0.095522
+H	-0.4199449552	-0.6340762522	 0.6320115826	 0.27827
+H	 0.8756855847	 2.71573649	 0.0785923517	 0.100022
+H	-0.2110331652	 2.2972162247	-1.2527559021	 0.105512
+H	-0.7042937695	 4.3164678282	 0.9568429907	 0.096204
+H	-1.4198104421	 4.2452624962	-0.6469780936	 0.102245
+H	-3.3495490006	 3.3478487788	 0.7109107868	 0.086004
+H	-2.9747867191	 0.7742973082	 0.0498904885	 0.090795
+19
+0 2119	3.4912749	1.5051674	1.2939937	1.1458	75.47	-0.24489	0.07903	0.32392	1031.2896	0.157488	-422.483015	-422.475332	-422.474388	-422.515055	30.159
+C	-0.1280279364	-0.0127510828	 0.053071019	-0.509958
+C	 1.3743395778	-0.0512626305	 0.0970061578	 0.256112
+C	 2.3610323657	 1.1408894666	 0.1216116232	-0.327884
+C	 3.2374367812	-0.1528400389	 0.1326675352	 0.412615
+C	 2.3396279577	-0.7216706367	-0.9915766902	-0.340634
+O	 4.5256075621	-0.222168743	 0.657314342	-0.332779
+C	 4.2726948649	-0.1689721404	 2.0834649088	 0.001291
+O	 2.8567187839	-0.2671874559	 2.347173766	-0.299013
+C	 2.3149743078	-0.774439761	 1.1379900734	 0.061792
+H	-0.5258582453	 0.5202703493	 0.9227890485	 0.130188
+H	-0.4827664995	 0.5006654432	-0.8470967299	 0.122642
+H	-0.5508496572	-1.0229707884	 0.0543812645	 0.121981
+H	 2.4049913599	 1.753778456	-0.781486064	 0.088323
+H	 2.3707179266	 1.7418037849	 1.0308079866	 0.10781
+H	 2.3633278773	-0.2202150582	-1.9608804654	 0.10549
+H	 2.2898794448	-1.80881398	-1.0915861432	 0.103558
+H	 4.8126822716	-1.0057421474	 2.5444792612	 0.113076
+H	 4.6190478325	 0.7864873574	 2.4931286689	 0.117457
+H	 2.2313625044	-1.8675323543	 1.1657177676	 0.067935
+19
+0 2120	3.2981598	1.5908041	1.3458652	1.886	76.05	-0.23104	0.08184	0.31288	1014.0106	0.156969	-422.485813	-422.478105	-422.477161	-422.51751	30.617
+C	-0.0072403559	 0.1670674135	 0.0066564312	-0.51588
+C	 1.477530711	 0.013386122	 0.0985854023	 0.357839
+C	 2.3461612251	-1.2913991817	 0.2876000092	-0.363005
+C	 3.2751753838	-0.1045833625	-0.0438490171	 0.392703
+C	 4.6249757846	 0.5164722988	-0.2422645953	-0.384923
+C	 4.1955640788	 2.0143876043	-0.0686509887	-0.059793
+O	 2.9950802429	 2.0670313126	 0.7417067116	-0.282348
+C	 2.5490845728	 0.7618625794	 0.9737541285	 0.086839
+O	 2.2919093675	 0.3181804502	-1.0900679933	-0.377442
+H	-0.478136792	-0.1071853048	 0.9557296735	 0.126154
+H	-0.2617010295	 1.2067567534	-0.2196724359	 0.14173
+H	-0.4156334998	-0.4719233857	-0.7824607496	 0.131991
+H	 2.417835803	-1.7415544787	 1.2816082818	 0.09941
+H	 2.2154573846	-2.0244328147	-0.5079336998	 0.114642
+H	 5.3195384333	 0.1992712757	 0.5414090389	 0.115779
+H	 5.0767175331	 0.3354703981	-1.2195595942	 0.123003
+H	 4.9693140249	 2.6103381647	 0.4262442397	 0.10304
+H	 3.974127219	 2.4553908498	-1.0446847531	 0.121915
+H	 2.5798660828	 0.5002790055	 2.0381086303	 0.068346
+19
+0 2121	3.5789721	1.436442	1.2543261	1.7221	75.74	-0.23981	0.07123	0.31104	1051.1983	0.156922	-422.469767	-422.461946	-422.461002	-422.50177	30.743
+C	-0.0666716083	 0.0408484733	-0.0917013159	-0.51241
+C	 1.4065768031	-0.1129559567	 0.1199540813	 0.360373
+C	 2.3006964354	-1.3653339993	 0.1113840355	-0.311567
+C	 3.1913603754	-0.0977478133	 0.0934098954	 0.399847
+C	 4.6147260472	 0.0343480176	 0.5537260771	-0.188414
+O	 4.4559862189	-0.0911866579	 1.9839245452	-0.290999
+C	 3.0670919697	 0.06745729	 2.4186624877	-0.12161
+C	 2.347896296	 0.5671339636	 1.1780983765	-0.078671
+O	 2.3172480443	 0.4741020081	-0.9485865656	-0.397439
+H	-0.6120803806	-0.4244118106	 0.7353375416	 0.129635
+H	-0.3401667757	 1.0989074331	-0.137014641	 0.136435
+H	-0.3726081828	-0.4403967222	-1.0253435332	 0.136892
+H	 2.3106483019	-2.00698663	 0.9940658637	 0.105825
+H	 2.2916593844	-1.9292125866	-0.8218360235	 0.105949
+H	 5.2898754001	-0.7593357942	 0.2204118471	 0.112811
+H	 5.0397581178	 1.0113729663	 0.286297841	 0.110435
+H	 2.7090389283	-0.8933488404	 2.8045674103	 0.104513
+H	 3.0590288718	 0.7915384298	 3.2384342766	 0.108743
+H	 2.3383049832	 1.6555975095	 1.0894146903	 0.089653
+19
+0 2122	3.3463959	1.5213976	1.2880177	2.5918	75.28	-0.24747	0.07793	0.3254	1022.4617	0.158209	-422.497578	-422.49	-422.489056	-422.529318	30.323
+O	-0.0132905872	-0.0339771273	-0.0784273547	-0.468954
+C	-0.9896945728	 0.5299764583	 0.7159991714	 0.353665
+C	-1.3046706796	 2.0225833973	 0.9650446924	-0.331754
+C	-2.3862141018	 1.2086797604	 1.7624931936	 0.31758
+C	-1.2482357083	 0.2900856176	 2.2738412503	-0.392752
+C	-3.7842082609	 1.7234922865	 1.9857568837	-0.386866
+C	-4.283682014	 1.7440564963	 0.4912986178	-0.069742
+O	-3.3796908258	 0.956152404	-0.3261435365	-0.291276
+C	-2.5116080086	 0.2805024724	 0.5532067267	 0.094575
+H	 0.8407720659	 0.3321282907	 0.1760765519	 0.283678
+H	-0.5898218285	 2.5829666748	 1.5743148136	 0.0805
+H	-1.6528328237	 2.5935396825	 0.1048115113	 0.114444
+H	-0.5128429764	 0.7317856433	 2.9501134718	 0.093535
+H	-1.5242680903	-0.7232466897	 2.5766056942	 0.100642
+H	-4.3785384934	 1.0267487323	 2.5851555484	 0.11229
+H	-3.8499144711	 2.7135147794	 2.4437256418	 0.109436
+H	-5.2972608521	 1.3354622983	 0.4045590325	 0.106241
+H	-4.2911360905	 2.7618002478	 0.0869164998	 0.110484
+H	-2.8384934611	-0.752270215	 0.7308678001	 0.064276
+19
+0 2123	3.4137416	1.4580461	1.2542133	2.0388	75.34	-0.24339	0.07553	0.31892	1034.2365	0.158617	-422.495457	-422.487983	-422.487039	-422.527046	30.105
+O	 0.4071113018	-0.1442002794	 0.4334436027	-0.46175
+C	-0.8045874445	 0.3021535147	 0.9180403832	 0.377278
+C	-1.9471273918	 0.774541009	 0.0106839114	-0.292887
+C	-2.4579180468	 0.9393500395	 1.481928201	 0.307987
+C	-1.0886549917	 1.5766637485	 1.8246012856	-0.381445
+C	-3.900763712	 0.8207317026	 1.8781084986	-0.193436
+O	-4.2072057455	-0.5547083244	 1.5729850589	-0.284068
+C	-3.0095552916	-1.36924616	 1.4483019094	-0.118971
+C	-1.8534439678	-0.4482551706	 1.8166000564	-0.107752
+H	 0.9628502935	-0.3971970266	 1.178558837	 0.283521
+H	-1.7753086401	 1.7016104806	-0.5414086952	 0.093262
+H	-2.4359221897	 0.0256060315	-0.6117960857	 0.109882
+H	-0.8585200111	 2.5448672705	 1.3740446013	 0.099768
+H	-0.7676628263	 1.522017934	 2.868696209	 0.092488
+H	-4.0481984685	 1.024390027	 2.9492373745	 0.094903
+H	-4.5909539141	 1.4462368068	 1.3032459635	 0.108449
+H	-3.0942925687	-2.2140811303	 2.1401802598	 0.099432
+H	-2.9671618024	-1.770854961	 0.4296072541	 0.107155
+H	-1.5474991826	-0.5636864625	 2.8619376747	 0.066185
+19
+0 2124	3.4162934	1.4721007	1.2608925	0.8925	75.04	-0.2357	0.07165	0.30735	1034.7942	0.158164	-422.493114	-422.485542	-422.484598	-422.524995	30.459
+O	 0.0694750038	-0.2508704239	 0.1073819931	-0.468114
+C	-0.9200100509	 0.4194067432	 0.794850571	 0.364327
+C	-1.2181987538	 1.9378602422	 0.8259340447	-0.373131
+C	-2.3122237271	 1.2219203077	 1.6987510346	 0.452379
+C	-1.1867346123	 0.4132632695	 2.3778509286	-0.372498
+O	-3.5505822484	 1.7415106914	 2.0197062059	-0.32591
+C	-4.3763941343	 1.5184715781	 0.8402127471	-0.08402
+C	-3.5364649001	 0.7331915113	-0.2389911916	-0.325169
+C	-2.441426718	 0.1255419844	 0.6410385416	-0.047165
+H	 0.9201638747	 0.138533703	 0.3377583107	 0.285351
+H	-0.5056956352	 2.567508775	 1.3653745852	 0.085945
+H	-1.5368730228	 2.4055948651	-0.1059022228	 0.095498
+H	-0.4633242805	 0.9581894783	 2.9900118836	 0.090738
+H	-1.4628101885	-0.5483805435	 2.8158398696	 0.101488
+H	-5.2548091331	 0.9475928804	 1.160522884	 0.111478
+H	-4.7159855681	 2.4883652477	 0.4625419983	 0.110825
+H	-4.1506054732	-0.0185735551	-0.7392338482	 0.107898
+H	-3.1633300706	 1.4144484943	-1.0057375278	 0.117249
+H	-2.7394074916	-0.8477651392	 1.0425792123	 0.072831
+19
+0 2125	2.9865726	1.7155332	1.3786983	1.3634	74.73	-0.24545	0.05952	0.30497	985.3743	0.15771	-422.483401	-422.476083	-422.475139	-422.514502	30.155
+C	 0.1329703317	 0.8960118706	-0.1596811485	-0.493401
+C	 1.4896689296	 0.263365485	-0.0486510777	 0.40695
+C	 2.4680132868	-0.015821911	-1.1940539023	-0.334176
+C	 3.3696274263	-0.3978177633	 0.0413899122	 0.405098
+C	 2.6903289395	-1.6598030414	 0.5355386322	-0.154423
+O	 1.3381370029	-1.1064651081	 0.5045313049	-0.32394
+O	 4.6658546856	 0.1754897909	 0.1179489755	-0.350152
+C	 4.0127533327	 1.4451088551	 0.4829700553	-0.159468
+C	 2.6770045136	 0.7195353242	 0.8407984675	-0.125021
+H	-0.347480327	 0.9430599867	 0.8223608683	 0.129765
+H	 0.2196481053	 1.912247609	-0.5543971894	 0.119797
+H	-0.5095493782	 0.3145350778	-0.8277094723	 0.129385
+H	 2.1883311906	-0.8036475436	-1.8953294652	 0.100964
+H	 2.8268613953	 0.8684917169	-1.7191399529	 0.10694
+H	 2.7505787759	-2.5317350798	-0.1243151167	 0.105395
+H	 2.9627793865	-1.9425893903	 1.5569238048	 0.110547
+H	 4.5157115658	 1.8983211693	 1.3401025285	 0.12101
+H	 4.0047309094	 2.1471807938	-0.3558689942	 0.1149
+H	 2.5297568977	 0.592890438	 1.9139710397	 0.08983
+19
+0 2126	2.8849034	1.7774971	1.3926177	1.3452	75.16	-0.2401	0.0601	0.3002	979.5984	0.157779	-422.4863	-422.478962	-422.478018	-422.517455	29.995
+C	 0.2435283908	-0.7926023122	 0.7230574781	-0.504866
+C	 1.5107845942	-0.2396998169	 0.1392385295	 0.397191
+C	 2.23226902	-0.7190618024	-1.1227144579	-0.301475
+C	 3.3175771117	 0.3031595116	-0.6084707055	 0.20572
+C	 4.6475823336	-0.3627206092	-0.2651214352	-0.190262
+O	 3.9750768006	-1.0901524677	 0.8126509665	-0.309761
+C	 2.8982977675	-0.1063112735	 0.8215897307	 0.084152
+C	 2.590168658	 1.6162699322	-0.7825292782	-0.170623
+O	 1.3307672632	 1.19290823	-0.1591083024	-0.326904
+H	-0.0330820742	-0.2404912124	 1.6265011444	 0.129781
+H	-0.5804653167	-0.712614175	 0.0073840653	 0.128021
+H	 0.3785292169	-1.845677606	 0.9853923245	 0.127063
+H	 2.5789013383	-1.7497502512	-1.0711531774	 0.11891
+H	 1.7468837716	-0.5014591034	-2.0763797649	 0.097441
+H	 5.0894030118	-1.0390580607	-1.0031362815	 0.113066
+H	 5.4144206912	 0.3115740801	 0.1377016115	 0.108675
+H	 2.9646621917	 0.5665756336	 1.6820336137	 0.081359
+H	 3.0175248554	 2.4500666551	-0.2169006431	 0.108987
+H	 2.4000617044	 1.930070028	-1.8146729582	 0.103524
+19
+0 2127	2.8052545	1.8020096	1.3795146	1.1856	74.83	-0.23643	0.04738	0.28381	984.2261	0.157536	-422.476625	-422.469267	-422.468323	-422.507801	30.105
+C	-0.025524501	-0.6963636039	-0.2343721423	-0.508022
+C	 1.3639315385	-0.1218996348	-0.0979986185	 0.212674
+C	 1.7509814788	 1.3646254935	-0.3053767277	-0.313647
+C	 3.1833603185	 0.7372208351	-0.2198783094	 0.389485
+C	 4.0463242891	 0.9618105576	-1.4546938052	-0.180878
+O	 3.0651446408	 0.1479021807	-2.1881628853	-0.313977
+C	 2.6276130321	-0.4833301325	-0.9351391976	 0.063504
+O	 3.3459890558	 0.4196566953	 1.1457289405	-0.346789
+C	 2.0813745459	-0.3167859792	 1.2979071395	-0.115746
+H	-0.7127999136	-0.2520705059	 0.4950198916	 0.119228
+H	-0.4287322706	-0.5058675274	-1.23335659	 0.131675
+H	-0.0231425473	-1.7808930597	-0.0749638491	 0.119381
+H	 1.4971076831	 1.7492099122	-1.2909744672	 0.118887
+H	 1.4931394198	 2.0703292755	 0.487149954	 0.094912
+H	 4.1279623634	 1.9735910363	-1.8617764228	 0.115433
+H	 5.0263163837	 0.4699428782	-1.4322290993	 0.115703
+H	 3.0595132943	-1.483792624	-0.8360211159	 0.07565
+H	 2.3013453856	-1.3652645104	 1.5313762091	 0.108002
+H	 1.4976804132	 0.1246789832	 2.1113081056	 0.114524
+19
+0 2128	2.6934217	1.9148825	1.4157978	2.2424	74.87	-0.2458	0.06295	0.30874999999999997	972.4493	0.157392	-422.497642	-422.490191	-422.489247	-422.528929	30.217
+C	-0.0797473276	-0.1946508171	-0.1599332866	-0.506574
+C	 1.3908201667	 0.0086379073	 0.0652568113	 0.374092
+C	 2.111518358	-0.7497197676	 1.2435789723	-0.251652
+C	 3.6244958933	-0.4897969414	 0.8498880818	-0.321895
+C	 3.2729370182	 0.414815533	-0.3199577279	 0.361309
+C	 3.6877637924	 1.5373828698	-1.2609039601	-0.178722
+O	 2.3908017144	 2.17025971	-1.032612469	-0.300808
+C	 2.1527965945	 1.3497539879	 0.1400193004	 0.0556
+O	 2.2616146336	-0.3872878545	-1.0327433452	-0.360557
+H	-0.6484664577	 0.1339094068	 0.7160303046	 0.121896
+H	-0.413548024	 0.3783920185	-1.0288917278	 0.140464
+H	-0.3002660225	-1.2527406594	-0.3354418537	 0.128052
+H	 1.8585972766	-0.3587343632	 2.233806562	 0.10127
+H	 1.8520172367	-1.8096122726	 1.2100480709	 0.113944
+H	 4.1905393421	 0.0151971001	 1.6362510431	 0.106302
+H	 4.1453777737	-1.4038447902	 0.5594108804	 0.114253
+H	 4.5067619566	 2.172679368	-0.9003391402	 0.104087
+H	 3.8394769693	 1.2623742268	-2.3076850545	 0.123524
+H	 2.1468841957	 1.9344017878	 1.0641399282	 0.075416
+19
+0 2129	2.8418437	1.7368791	1.3617337	1.0647	73.94	-0.23855	0.06446	0.30301	981.3102	0.1586	-422.502504	-422.495317	-422.494373	-422.533419	30.183
+O	 0.3700629436	-0.1995587323	 0.3361207377	-0.478835
+C	-0.6283746004	 0.7589718307	 0.199201142	 0.384001
+C	-2.1382443415	 0.5069013835	 0.4011075927	-0.362342
+C	-2.1433688777	 2.0756280101	 0.301407533	 0.479751
+C	-1.8972128931	 2.3479380831	-1.1714110798	-0.313966
+C	-0.664055422	 1.3545279572	-1.2533397421	-0.231156
+O	-2.8039772854	 2.7764752434	 1.3526610859	-0.355337
+C	-1.6582409295	 2.456930304	 2.2134587892	-0.16069
+C	-0.7640493403	 2.0930561893	 0.9869056114	-0.167144
+H	 0.3208892486	-0.5622873407	 1.2260246315	 0.27986
+H	-2.6637820998	-0.0652872028	-0.3666045126	 0.094079
+H	-2.4132095586	 0.1526225756	 1.3952286745	 0.097539
+H	-2.7152529745	 2.0649774697	-1.839589393	 0.104859
+H	-1.6149755403	 3.383734499	-1.3739760765	 0.108646
+H	-0.8150857965	 0.5534227816	-1.9808611689	 0.110341
+H	 0.2687697021	 1.86974816	-1.496292965	 0.108534
+H	-1.3256067516	 3.3458522766	 2.7545393405	 0.117098
+H	-1.8998198073	 1.6629912574	 2.9277276004	 0.106457
+H	-0.054196936	 2.8847425644	 0.7385879392	 0.078306
+19
+0 2130	2.8184997	1.7712499	1.3695891	1.0173	74.67	-0.22937	0.05996	0.28933	981.3075	0.157991	-422.496845	-422.489542	-422.488597	-422.52787	30.519
+O	 0.2494841159	-0.3578690865	 0.3025819989	-0.480708
+C	-0.6958376863	 0.548530292	 0.7703193567	 0.333525
+C	-0.4188047713	 1.7833138879	 1.6669822171	-0.359182
+C	-1.8860640835	 2.0815074331	 1.2025756589	 0.460536
+C	-2.1722009951	 3.4408806602	 0.5787596987	-0.324472
+C	-1.2817872689	 2.9319103185	-0.6261192532	-0.286496
+C	-1.5264234383	 1.447916574	-0.1604460943	-0.0694
+O	-2.6662476381	 1.152009323	 1.94202773	-0.338101
+C	-1.9053299859	-0.0433363243	 1.6003672152	-0.145901
+H	 0.6572401945	-0.7966137032	 1.0581450196	 0.279584
+H	-0.2868288537	 1.6222407852	 2.7393054682	 0.09286
+H	 0.3402830917	 2.4586660681	 1.2770329002	 0.108402
+H	-3.2167369992	 3.5445903909	 0.2726294441	 0.11764
+H	-1.8599769011	 4.3350855747	 1.1238719694	 0.103156
+H	-1.688831031	 3.1389814857	-1.6161429418	 0.1112
+H	-0.2508151414	 3.2850267649	-0.5961510313	 0.117573
+H	-2.3179239366	 0.963056438	-0.7352063428	 0.076256
+H	-1.5639039844	-0.5430621787	 2.5148027283	 0.095541
+H	-2.5242162471	-0.7332023335	 1.0157171782	 0.107987
+19
+0 2131	2.7142265	1.8257774	1.3799185	3.0699	74.56	-0.24935	0.06017	0.30952	975.2263	0.158343	-422.502081	-422.494757	-422.493813	-422.533195	30.199
+O	 0.5537536031	-0.0615410385	 0.0628166424	-0.486867
+C	-0.2659366083	 0.5644923748	 0.9957500029	 0.375531
+C	-1.5175248928	-0.0591771536	 1.655572619	-0.331028
+C	-1.8175540225	 1.4512542032	 1.9790826872	 0.281063
+C	-3.0902006123	 1.9403606051	 1.2892845372	-0.194733
+O	-2.4325475183	 1.745801754	-0.0021698607	-0.312267
+C	-1.1236649667	 1.7860341329	 0.6395862071	 0.092847
+C	-0.7961631049	 1.7944902066	 3.0538690958	-0.329311
+C	 0.4340674604	 1.1747717641	 2.2728331035	-0.271004
+H	 1.0653651372	-0.7449366846	 0.5098932172	 0.27775
+H	-2.2179892942	-0.4799145897	 0.9368356849	 0.121936
+H	-1.364198566	-0.7304457578	 2.5048962714	 0.081899
+H	-3.9969676009	 1.3345089704	 1.3836073374	 0.108711
+H	-3.3264705027	 3.0006345939	 1.4522671495	 0.102476
+H	-0.6174511482	 2.7361662867	 0.4381046628	 0.07045
+H	-0.6811593298	 2.869545911	 3.2161951889	 0.105891
+H	-0.9677816815	 1.314703142	 4.0216140466	 0.101816
+H	 1.1797377401	 1.9272981956	 2.000303107	 0.109544
+H	 0.9396173282	 0.386240804	 2.8396200398	 0.095297
+19
+0 2132	3.7983149	1.4748876	1.3315226	1.1431	75.34	-0.24097	0.05802	0.29899	1012.8086	0.157517	-422.485197	-422.477862	-422.476918	-422.516319	30.214
+C	-0.0740096166	-0.0071810155	 0.2539143838	-0.4845
+C	 1.3717153866	-0.0152809535	-0.1484942092	 0.417131
+C	 2.5427109954	 0.5109908238	 0.7065876589	-0.318612
+C	 3.2445956756	 0.3633292389	-0.6727770986	 0.401826
+C	 1.9524897067	 0.9003438187	-1.3292276228	-0.363316
+O	 4.6773635147	 0.303717916	-0.7805966004	-0.358076
+C	 4.5895042706	-1.1294543056	-0.4371037131	-0.180174
+C	 3.1130073532	-1.1017630299	-0.9539744672	 0.083503
+O	 1.8294035124	-1.3936557482	-0.4070696993	-0.328306
+H	-0.223115	-0.6311913563	 1.1403025785	 0.133794
+H	-0.4018288807	 1.0099111591	 0.4847981568	 0.122295
+H	-0.7012517271	-0.402031651	-0.5507299812	 0.13201
+H	 2.4404661934	 1.5545318673	 1.0105781514	 0.10209
+H	 2.8548651302	-0.120455197	 1.5395695456	 0.102525
+H	 1.7035791461	 1.9475673001	-1.1480579083	 0.108187
+H	 1.7506824634	 0.6135846425	-2.3632297738	 0.107679
+H	 5.305582668	-1.7184826807	-1.0140174927	 0.116561
+H	 4.7263220587	-1.2908920547	 0.6364003001	 0.11636
+H	 3.1256743195	-1.3513595639	-2.0200538485	 0.089021
+19
+0 2133	3.8568012	1.4485675	1.3047445	1.3386	75.41	-0.2439	0.05683	0.30073	1024.8039	0.157243	-422.482193	-422.474713	-422.473769	-422.513498	30.43
+C	 0.0251390656	-0.5309552666	 0.3016402046	-0.497615
+C	 1.4554620557	-0.1660293304	 0.0315056838	 0.39537
+C	 2.6333813785	-0.384047797	 0.9942195172	-0.290709
+C	 3.1095491536	 0.8314913971	 0.1904346964	 0.378201
+C	 4.5967440726	 1.2184984522	 0.1621809569	-0.210684
+O	 4.7616174854	 0.1563521956	-0.8433455701	-0.314674
+C	 3.3417017827	 0.3343294306	-1.20233717	 0.142924
+C	 2.1418131658	-0.6317638938	-1.3210596301	-0.347491
+O	 1.7318781546	 1.3114510228	 0.1486292206	-0.402522
+H	-0.292309815	-0.1604453313	 1.2797338952	 0.132053
+H	-0.6338670746	-0.1036168885	-0.4607018561	 0.13238
+H	-0.0949316612	-1.6192982221	 0.2833611026	 0.12521
+H	 2.3880309774	-0.1008004758	 2.0192183728	 0.105498
+H	 3.2041721566	-1.3135098771	 0.9478485348	 0.106909
+H	 4.8181799009	 2.2050190603	-0.2629842903	 0.115047
+H	 5.1977756903	 1.0336303356	 1.0561604133	 0.116717
+H	 3.2839344274	 1.1269872498	-1.9564840943	 0.08456
+H	 1.544359582	-0.4294392813	-2.2126479926	 0.1082
+H	 2.3703598918	-1.6991387502	-1.2840070347	 0.120624
+19
+0 2134	3.7438503	1.4319539	1.2886553	2.3902	74.6	-0.23966	0.06698	0.30664	1016.3064	0.158422	-422.500655	-422.493397	-422.492453	-422.531671	30.249
+O	 0.8150501344	 0.726340047	 0.1889116227	-0.476945
+C	-0.2183697895	 0.9738808058	 1.0847949657	 0.41129
+C	-1.6654430348	 1.1492288549	 0.4508027518	-0.353082
+C	-1.8868377475	 1.7643107302	 1.845720525	 0.465184
+C	-0.4606305016	 2.3586749785	 1.756754529	-0.352022
+O	-2.8955583849	 2.3608482483	 2.6675414002	-0.358543
+C	-2.3826619959	 1.5542500595	 3.7886778059	-0.170067
+C	-1.7605147355	 0.5646453526	 2.7663544103	-0.021409
+C	-0.3690840111	 0.0393317901	 2.3417874282	-0.34146
+H	 1.6487951324	 0.7601163406	 0.6706597702	 0.281207
+H	-1.610073693	 1.8447467883	-0.3887661933	 0.11223
+H	-2.2399808384	 0.257415927	 0.1906776053	 0.100251
+H	-0.3968988652	 3.1852978143	 1.046959462	 0.10447
+H	 0.0785248111	 2.5894967705	 2.6795435976	 0.08533
+H	-1.6722274827	 2.1323329407	 4.3909688218	 0.106907
+H	-3.1952859342	 1.1837431734	 4.4181283756	 0.113041
+H	-2.5332306425	-0.1699197024	 2.525125822	 0.091125
+H	 0.447020696	 0.2179115633	 3.0502569042	 0.097779
+H	-0.3787471871	-1.0244885527	 2.0916514459	 0.104714
+19
+0 2135	3.7191788	1.4329641	1.2948493	1.9749	75.14	-0.24417	0.06907	0.31324	1015.2428	0.158423	-422.50115	-422.493907	-422.492962	-422.532168	30.128
+O	 0.4122365572	 0.5275258667	 0.7130489232	-0.47742
+C	-0.7478632083	 1.016141534	 0.1266445125	 0.412945
+C	-0.6551405021	 1.6591429502	-1.2678884014	-0.274935
+C	-1.9999777537	 2.2884072331	-0.8261414626	 0.279027
+C	-2.9992062024	 2.7002327574	-1.9166573254	-0.218874
+O	-3.3862853607	 1.2881419091	-2.0448153264	-0.315939
+C	-2.9078841039	 1.0776955746	-0.6836392052	 0.160326
+C	-1.9345171842	 0.0196008888	-0.1285659618	-0.347749
+C	-1.4070085422	 2.4078852212	 0.5931483846	-0.403142
+H	 0.181322417	 0.1118292811	 1.550662945	 0.281845
+H	 0.1409312821	 2.4045681466	-1.3333772793	 0.10067
+H	-0.6496193098	 1.0006219628	-2.1389963015	 0.105598
+H	-3.8469134365	 3.307745966	-1.573176743	 0.10293
+H	-2.6010649282	 3.1007323275	-2.853045625	 0.112415
+H	-3.7500936873	 1.241988602	 0.0033458475	 0.069756
+H	-2.3180511443	-0.4631706037	 0.7760283935	 0.089102
+H	-1.6321352362	-0.7557688769	-0.8364554503	 0.123463
+H	-0.6224542017	 3.1544956852	 0.731137339	 0.108264
+H	-2.1062352347	 2.4143760745	 1.4343111566	 0.091718
+19
+0 2136	2.8576498	1.9153398	1.6298692	1.8984	73.14	-0.22906	0.08386	0.31292000000000003	914.2815	0.158856	-422.568249	-422.561026	-422.560082	-422.599436	29.368
+C	 0.0042000272	-0.2471190366	-0.0620486788	-0.448956
+C	 1.4731766287	 0.0974931047	 0.0270675259	 0.427114
+C	 1.9762099381	 0.7065371983	 1.3589380177	-0.264166
+C	 3.4623120385	 0.4173957437	 1.2558109963	-0.125317
+C	 4.012139816	 0.611341717	-0.1507467035	-0.11448
+C	 3.1423026768	 1.3338410943	-1.1623232143	-0.089034
+O	 1.7590234788	 0.9912720946	-1.034932893	-0.294362
+C	 3.5464514835	-0.7454368912	 0.298365716	 0.096092
+O	 2.2483907019	-1.0922612883	-0.1296492384	-0.275373
+H	-0.2620046657	-0.9618970554	 0.7195114687	 0.122947
+H	-0.5994590215	 0.6560699867	 0.0525426407	 0.126268
+H	-0.2079523632	-0.6884455222	-1.0383198494	 0.135886
+H	 1.7192537463	 1.7673496632	 1.4130352578	 0.109671
+H	 1.5372058659	 0.1905624152	 2.2189463087	 0.104724
+H	 4.1108058924	 0.5096958874	 2.1180953012	 0.088827
+H	 5.0797512538	 0.7775391255	-0.2537686566	 0.090663
+H	 3.2461866451	 2.4230885263	-1.0515597801	 0.099707
+H	 3.458746293	 1.0766117911	-2.1819380473	 0.109064
+H	 4.2027270943	-1.5996547443	 0.4040485684	 0.100727
+19
+0 2137	2.8364694	1.8847337	1.6081086	1.3249	72.96	-0.21784	0.07948	0.29732000000000003	919.7359	0.158862	-422.553277	-422.546059	-422.545115	-422.584404	29.384
+C	 0.0864911727	 0.4246418659	-0.1241391661	-0.461569
+C	 1.5702634283	 0.1140684027	-0.1011603978	 0.296724
+C	 2.489482482	 1.2352273095	 0.4468815027	-0.251825
+C	 3.7126272858	 0.4369776894	 0.8655070722	-0.16131
+C	 3.1828031185	-0.9782020964	 1.0445542384	 0.046083
+O	 1.7981834047	-0.9923528973	 0.7965042222	-0.286644
+C	 4.0462890459	-0.6480763677	-0.1412988671	 0.085443
+O	 3.5033504675	-0.5849253801	-1.4319309843	-0.277859
+C	 2.0977043454	-0.3348894011	-1.4701701594	-0.068924
+H	-0.2643936242	 0.646931293	 0.8870971791	 0.128689
+H	-0.1176379718	 1.2893954061	-0.762365304	 0.120521
+H	-0.4828627456	-0.4286299528	-0.5044678343	 0.128037
+H	 2.6999838321	 1.9876556259	-0.3192648164	 0.108934
+H	 2.0300316868	 1.7313935587	 1.3078955256	 0.103565
+H	 4.4728396481	 0.875564946	 1.5008073852	 0.087555
+H	 3.4807655875	-1.6667701312	 1.8259195757	 0.101093
+H	 5.0587314007	-1.0343461637	-0.1789211216	 0.103799
+H	 1.9194940788	 0.4324578848	-2.2344601702	 0.096991
+H	 1.5687602568	-1.2517679713	-1.7650440698	 0.100697
+19
+0 2138	2.8465971	1.915369	1.6093656	1.1838	72.72	-0.22097	0.0836	0.30457	920.6698	0.158805	-422.564017	-422.556724	-422.55578	-422.59535	29.484
+C	 0.1609682594	 0.1599439938	-0.292411295	-0.44981
+C	 1.4493192756	-0.2345121655	 0.3940553971	 0.424088
+C	 1.2723277859	-1.0487226359	 1.6828570958	-0.224533
+C	 2.6617634001	-1.3911063592	 2.2916439456	-0.232863
+C	 3.7837926429	-0.8239667888	 1.4377363826	-0.126397
+C	 3.5496335683	 0.4985625541	 0.7304145265	 0.041031
+O	 2.2121132737	 0.9385242399	 0.7040734837	-0.291324
+C	 3.5853038165	-0.7705343752	-0.0662575347	 0.041084
+O	 2.2664734001	-0.991629108	-0.5077053203	-0.29133
+H	-0.4501667037	 0.7697982328	 0.3772982033	 0.127392
+H	 0.3872077205	 0.7350043846	-1.1925043091	 0.132705
+H	-0.4043346938	-0.7326231595	-0.5711129873	 0.127514
+H	 0.6701234542	-0.4635942231	 2.3837855946	 0.104753
+H	 0.7129715882	-1.9581332794	 1.445295005	 0.104774
+H	 2.7412354411	-0.9906242818	 3.3074931086	 0.107869
+H	 2.7832270019	-2.4758457228	 2.3766127698	 0.10785
+H	 4.7982766346	-1.0094418108	 1.7785303037	 0.086561
+H	 4.2683939772	 1.3064465195	 0.6935463826	 0.105316
+H	 4.3350317973	-1.0588462446	-0.7911292924	 0.105319
+19
+0 2139	2.7803237	1.8398732	1.5733993	2.4057	72.86	-0.22236	0.06766	0.29002	921.2072	0.159495	-422.5653	-422.558072	-422.557128	-422.596501	29.591
+O	-0.2360535744	 0.3096792563	-0.1171039128	-0.495088
+C	-0.6742703411	 1.4112543989	 0.6468486586	 0.317159
+C	 0.3367824581	 2.574248042	 0.7794289565	-0.263901
+C	-0.3034951811	 3.4255625801	 1.8622321618	-0.108756
+C	-1.1817312936	 2.488750755	 2.7092552116	-0.108756
+C	-1.0476279992	 1.0974783808	 2.1146759774	-0.263875
+C	-1.804100298	 3.483503283	 1.7672856079	 0.132731
+O	-2.4812339354	 3.0719899674	 0.6100057533	-0.278195
+C	-1.9255357428	 1.9431310419	-0.0622365211	-0.06641
+H	 0.5526907879	-0.0493914365	 0.3027183515	 0.276467
+H	 1.3140779974	 2.1951121731	 1.1069041935	 0.085654
+H	 0.4783333328	 3.0969969543	-0.1719894887	 0.106865
+H	 0.244496518	 4.2517134074	 2.3012685864	 0.083023
+H	-1.2894139683	 2.6155157264	 3.780660381	 0.083023
+H	-0.2378737217	 0.539629951	 2.6037422816	 0.085656
+H	-1.960010428	 0.4959622936	 2.1797603113	 0.106861
+H	-2.3123415604	 4.3424111582	 2.1902844903	 0.101206
+H	-2.6819148464	 1.1490156827	-0.1112243273	 0.103168
+H	-1.6674804438	 2.2310746544	-1.0896701327	 0.103168
+19
+0 2140	2.7588546	1.858647	1.7004682	2.0771	73.76	-0.22444	0.0751	0.29954000000000003	913.6165	0.158317	-422.526692	-422.519612	-422.518668	-422.557567	29.217
+C	 0.0374807681	-0.1439389257	-0.0466492289	-0.473676
+C	 1.5402834936	-0.015652052	-0.0182396929	 0.38329
+C	 2.2156406629	 1.3248768648	 0.4111293612	-0.297917
+C	 3.3215907947	 0.4709250277	 1.0540817643	-0.100033
+C	 4.0260651084	-0.5060980826	 0.0434396478	 0.065265
+C	 3.4634635248	-0.3411452264	-1.3594030358	-0.091019
+O	 2.0407119834	-0.4294012694	-1.2845492988	-0.295321
+O	 3.3431227465	-1.6591746292	 0.6192243813	-0.292012
+C	 2.3776380457	-0.7420849707	 1.1380954427	 0.083948
+H	-0.3900047065	 0.117355416	 0.9260094939	 0.111777
+H	-0.3935334486	 0.5178915189	-0.8044663789	 0.125497
+H	-0.2475024388	-1.1722957404	-0.2891391129	 0.132511
+H	 2.4648220945	 2.028820744	-0.3873533198	 0.103748
+H	 1.6337226911	 1.8454802377	 1.1776284494	 0.103257
+H	 3.9337405969	 0.8345942654	 1.8788925322	 0.075373
+H	 5.1142529731	-0.5998871498	 0.0765743844	 0.082318
+H	 3.7820808497	 0.6151487193	-1.8030954117	 0.090917
+H	 3.8015095594	-1.1532993247	-2.0106377598	 0.11697
+H	 1.837297771	-1.100003083	 2.0168314322	 0.075107
+19
+0 2141	2.8170219	1.8360449	1.6624066	0.3264	73.11	-0.23661	0.06944	0.30605	919.2133	0.158452	-422.538262	-422.531139	-422.530195	-422.569207	29.281
+C	 0.1985406981	 0.5682132662	 0.1682803817	-0.479769
+C	 1.62258298	 0.0765998906	 0.1031311658	 0.378994
+C	 2.1960902706	-0.5271729526	 1.3876552442	-0.238558
+C	 3.5540322784	-1.1846234279	 1.0287184481	-0.219172
+C	 4.1265579362	-0.3943070049	-0.1434720896	 0.05553
+O	 3.9596793214	 1.0346828449	 0.1435638054	-0.307894
+C	 2.7233651698	 0.9981609151	-0.5710135031	 0.026785
+C	 3.0526720609	-0.2972044237	-1.2965202613	 0.066271
+O	 1.8150434204	-0.9240712399	-0.9666038173	-0.335107
+H	 0.0959862768	 1.3322332637	 0.9462708476	 0.12299
+H	-0.1083576768	 1.0012182266	-0.7882885038	 0.122747
+H	-0.4828426613	-0.2557403375	 0.4040318346	 0.128796
+H	 2.3383768861	 0.2666209937	 2.1271379952	 0.112849
+H	 1.4983469342	-1.2577308796	 1.8081092587	 0.100641
+H	 4.2417615144	-1.1689049419	 1.8787215178	 0.103814
+H	 3.4122549174	-2.2269549844	 0.7274725741	 0.114079
+H	 5.1595176655	-0.6325931566	-0.406236741	 0.078831
+H	 2.4131248867	 1.9568738439	-0.9903459757	 0.082084
+H	 3.3676935012	-0.4349976456	-2.3313625014	 0.086089
+19
+0 2142	2.8201318	1.8472802	1.6679869	2.2426	73.63	-0.22493	0.07554	0.30047	916.8178	0.158387	-422.527374	-422.52028	-422.519336	-422.558275	29.239
+C	 0.128834345	-0.3635974858	-0.3698531027	-0.484165
+C	 1.5873589818	-0.1021328998	-0.0886693428	 0.380492
+C	 2.2931092564	-1.1727067666	 0.7422917789	-0.109367
+O	 3.5904303252	-0.6998404069	 1.106541988	-0.259879
+C	 4.0899122775	 0.217520756	 0.1546870392	 0.065889
+C	 3.9000366539	-0.3056818409	-1.2973511684	-0.278903
+C	 2.52236192	 0.3795468834	-1.2689373373	-0.132909
+C	 2.9895799201	 1.330486125	-0.1527023647	 0.115411
+O	 1.816513541	 1.152415177	 0.6381842353	-0.320716
+H	-0.4337652099	-0.4533776558	 0.565006849	 0.131115
+H	-0.3007354268	 0.4569149492	-0.9507020793	 0.128874
+H	 0.0078463537	-1.2926155014	-0.9372580059	 0.122077
+H	 1.7464297528	-1.354940492	 1.6730296999	 0.112943
+H	 2.360101962	-2.1214713226	 0.1875505017	 0.090022
+H	 5.0811991577	 0.5223850004	 0.4912298435	 0.081553
+H	 4.5679855977	 0.2005593788	-2.0006799272	 0.105823
+H	 3.9729686323	-1.3856261826	-1.4504300499	 0.105203
+H	 2.0058977645	 0.6932429916	-2.1770573074	 0.069447
+H	 3.3100413952	 2.3676635229	-0.2650801998	 0.077089
+19
+0 2143	2.7244148	1.8098593	1.6477413	2.1818	72.9	-0.22628	0.07169	0.29797	917.6006	0.159044	-422.542665	-422.535647	-422.534703	-422.573401	29.5
+O	 0.6220095435	 0.4051452748	 0.5822653442	-0.49021
+C	-0.7493953506	 0.6094829933	 0.7847291973	 0.3676
+C	-1.3198042624	 0.6943221412	 2.2345512896	-0.311796
+C	-2.5724586133	-0.0245007507	 1.7003584582	-0.084513
+C	-3.3209756812	 0.7173532154	 0.5344320134	 0.097552
+C	-2.7015205345	 2.0774488334	 0.2325913133	-0.235565
+C	-1.1909156241	 1.8387221191	-0.0137137212	-0.220597
+O	-2.7987503993	-0.2344480037	-0.4503237125	-0.302996
+C	-1.781927363	-0.5704846295	 0.5006941641	 0.060346
+H	 0.8960128968	-0.3614875506	 1.0963149931	 0.275189
+H	-0.7750456561	 0.0347582126	 2.9198037857	 0.091126
+H	-1.4066984265	 1.6834956616	 2.6933143863	 0.100548
+H	-3.192282051	-0.6390088816	 2.3516776432	 0.075541
+H	-4.4133144986	 0.7117568203	 0.5556390951	 0.076612
+H	-3.173601038	 2.5244613369	-0.6471797619	 0.107988
+H	-2.8729030507	 2.7588222489	 1.0738156065	 0.101794
+H	-1.0058538423	 1.646935222	-1.073404868	 0.119655
+H	-0.5870544676	 2.7015922091	 0.2820024894	 0.101773
+H	-1.3719714312	-1.5777562823	 0.3858523342	 0.069954
+19
+0 2144	2.7364698	1.818102	1.6627777	1.5208	73.68	-0.24039	0.06534	0.30573	912.6964	0.158924	-422.534144	-422.527129	-422.526184	-422.564865	29.499
+O	 0.3867113446	 0.1698080299	 0.088047777	-0.487165
+C	-0.7814488261	 0.380256918	 0.8331017507	 0.372137
+C	-2.1014797672	 0.3003184382	 0.036684474	-0.263023
+C	-2.6185647746	 1.3973558737	 0.9809946457	-0.046289
+C	-2.6375454574	 0.9516750405	 2.4994501803	 0.107904
+C	-1.5053441267	 1.9781614863	 2.7854213711	-0.266725
+C	-1.1598427779	 1.8555450737	 1.290702466	-0.100075
+O	-2.1795724794	-0.3837149706	 2.6515147011	-0.264847
+C	-0.9067252468	-0.5649597898	 2.0341195954	-0.14486
+H	 1.1450335796	 0.2589505636	 0.6769353115	 0.276713
+H	-1.9676773922	 0.6919527734	-0.9753574102	 0.107984
+H	-2.6128170945	-0.6655114459	 0.0026024589	 0.103128
+H	-3.4113038806	 2.0809667241	 0.6763841998	 0.067041
+H	-3.5757024665	 1.0219426604	 3.0513006418	 0.079748
+H	-1.9160206974	 2.9678196404	 3.007075182	 0.102523
+H	-0.7702871105	 1.7188033736	 3.5538336133	 0.096136
+H	-0.6404931921	 2.6421259881	 0.7410862429	 0.066402
+H	-0.0918062322	-0.3839963478	 2.7551687447	 0.07997
+H	-0.8449359421	-1.6071248001	 1.7049485341	 0.113299
+19
+0 2145	2.2177839	2.0809293	1.6730946	1.5194	74.42	-0.23191	0.05726	0.28917	928.9299	0.156743	-422.530463	-422.522614	-422.521669	-422.562083	31.603
+C	-0.1342183246	 0.1335142843	-0.2421518348	-0.496488
+C	 1.3110248183	 0.032367435	 0.147728712	 0.342652
+C	 2.0294182776	 0.9655117655	 1.1600501478	-0.293551
+C	 3.2964207584	 0.3884670199	 0.517493931	-0.136719
+C	 3.075481118	-1.1808985522	 0.4423673121	 0.076499
+C	 3.1697247478	-1.117696604	-1.1005596991	-0.28596
+C	 2.5418985414	 0.2513217471	-0.8662864143	 0.357042
+O	 2.4685922708	 1.1778575885	-1.891815323	-0.475421
+O	 1.658901636	-1.2654387671	 0.6651874778	-0.296663
+H	-0.7821132077	-0.0033749495	 0.6297197165	 0.130913
+H	-0.350195109	 1.1149283719	-0.6763757953	 0.109015
+H	-0.3867114627	-0.6321021474	-0.9815555316	 0.133027
+H	 1.9138214989	 2.0285971053	 0.9222965686	 0.084851
+H	 1.8199877645	 0.7896262764	 2.2180123609	 0.101458
+H	 4.3058672838	 0.7769808887	 0.6383831445	 0.075283
+H	 3.618560444	-1.9013012816	 1.0497026866	 0.082403
+H	 4.1975241989	-1.0141492165	-1.4588629523	 0.105152
+H	 2.6280599154	-1.8813535902	-1.6641829642	 0.101575
+H	 2.0479482102	 1.9809336659	-1.5656635932	 0.284932
+19
+0 2146	2.2723554	2.0817268	1.6146108	0.5725	73.97	-0.2381	0.07053	0.30863	934.6872	0.157208	-422.535382	-422.527676	-422.526732	-422.566848	31.314
+C	-0.0595655139	 0.1783900846	 0.3376636221	-0.499102
+C	 1.3934720041	 0.0284855501	 0.0011282385	 0.322471
+C	 2.036985525	 0.7536592362	-1.1978722367	-0.239283
+C	 3.3384210212	-0.069259111	-1.129838752	-0.095397
+C	 2.8290628164	-1.502026229	-1.4593183041	-0.295229
+C	 2.1402192945	-1.3899998767	-0.102719286	 0.380298
+O	 1.6061189255	-2.4992256717	 0.5256234574	-0.48399
+C	 3.2504191102	-0.451768517	 0.4261736105	 0.022953
+O	 2.3184227914	 0.4178522688	 1.0763247808	-0.335646
+H	-0.3438859242	-0.4739887404	 1.1691955253	 0.114292
+H	-0.2828817364	 1.2117110871	 0.6224248323	 0.132909
+H	-0.6787870988	-0.08331416	-0.5257314843	 0.127249
+H	 1.5066893363	 0.6232667912	-2.1454791908	 0.09544
+H	 2.1562199854	 1.8182916449	-0.9832432428	 0.1038
+H	 4.2445567601	 0.3286425219	-1.5795109874	 0.073239
+H	 2.2267408802	-1.6346011604	-2.3623700399	 0.097518
+H	 3.6213352512	-2.2550608407	-1.423631096	 0.106892
+H	 1.4034388735	-2.2567591767	 1.437176609	 0.2886
+H	 4.1415685584	-0.7144469111	 0.9941401742	 0.082986
+19
+0 2147	2.2835446	2.0751676	1.6153249	0.5261	74.1	-0.23654	0.0792	0.31574	942.1302	0.156347	-422.529469	-422.521597	-422.520652	-422.561206	31.294
+C	 2.6054117834	 2.2523840622	 0.7129351043	-0.508715
+C	 2.4127703718	 0.8359627209	 1.1653888503	 0.341562
+C	 2.7051593921	 0.3961504131	 2.6162760126	-0.242205
+C	 1.9977017928	-0.9533504821	 2.4247499451	 0.019531
+O	 0.62120939	-0.5277306035	 2.1938063312	-0.329289
+C	 1.0874262891	-0.0635362475	 0.9202480633	 0.380413
+C	 0.054727213	 0.2969224915	-0.0999495132	-0.523733
+C	 2.2116258461	-1.1023024584	 0.850259374	 0.018988
+O	 3.1924476456	-0.1620877035	 0.4224399369	-0.332612
+H	 1.9674480611	 2.9244211662	 1.2954802617	 0.127511
+H	 3.6457449341	 2.5645316018	 0.8530987953	 0.133149
+H	 2.3566430969	 2.3668165144	-0.3460073552	 0.127484
+H	 3.7813337557	 0.3396654833	 2.793375771	 0.106887
+H	 2.2097928688	 0.9871275885	 3.3891785157	 0.107056
+H	 2.0972857358	-1.755859868	 3.1524326048	 0.083213
+H	-0.6429550645	-0.5314655179	-0.2526576432	 0.133014
+H	-0.5190475025	 1.1737134317	 0.2185227085	 0.131438
+H	 0.5363532165	 0.5284167179	-1.0545274603	 0.135913
+H	 2.216707194	-2.0715132107	 0.3543729871	 0.090396
+19
+0 2148	2.2280753	2.0789621	1.6572086	2.2869	73.97	-0.23299	0.07066	0.30365	929.5748	0.156999	-422.534183	-422.526324	-422.52538	-422.565885	31.472
+C	-0.0819470924	-0.1030737782	-0.0968921899	-0.510688
+C	 1.4099057662	-0.0686554445	 0.0177650421	 0.43089
+O	 2.146718181	 0.1661986778	-1.196090775	-0.331514
+C	 3.3026702571	-0.2503851494	-0.4114725519	 0.067486
+C	 3.4873554413	 0.9696202338	 0.5090314926	-0.282822
+C	 2.1260183787	 0.7446728686	 1.2059234829	 0.340405
+O	 1.4417281768	 1.8069137151	 1.7866898656	-0.493532
+C	 2.3619632214	-0.6185594071	 1.9218828245	-0.322335
+C	 2.3890836606	-1.1737435635	 0.4891192147	-0.123488
+H	-0.5364345406	-0.3609681513	 0.863982601	 0.128154
+H	-0.457039125	 0.8826305224	-0.3896206119	 0.140385
+H	-0.3967714489	-0.8351299288	-0.8459836809	 0.12544
+H	 4.1346504864	-0.6193015697	-1.0098862436	 0.079309
+H	 4.3359861089	 0.9097392278	 1.1975295722	 0.088188
+H	 3.5346282291	 1.8896784407	-0.076811812	 0.110258
+H	 2.0250325762	 2.2497488958	 2.4123015522	 0.281798
+H	 3.245840918	-0.7195708247	 2.5588528066	 0.088573
+H	 1.4729451649	-0.9618420293	 2.4577466639	 0.105708
+H	 2.2880753801	-2.2244364055	 0.225925367	 0.077786
+19
+0 2149	2.2897083	2.0517043	1.668647	2.1978	73.89	-0.24092	0.06336	0.30428	917.2652	0.157987	-422.541633	-422.533989	-422.533045	-422.573045	31.324
+O	 1.7465463954	 2.6176737695	 1.7187720678	-0.500836
+C	 0.6312654148	 1.795227235	 1.9094185916	 0.320111
+C	 0.4321020233	 0.912637419	 3.1717527753	-0.320463
+C	-0.3344544356	 0.0149742144	 2.1871927844	-0.085278
+C	-1.3527377815	 0.8991504139	 1.3358675679	-0.047084
+C	-0.5605141638	 0.5124770547	 0.0518468295	-0.304016
+C	 0.6159122711	 0.4705250614	 1.0315185814	 0.420035
+O	 1.8590658982	-0.0753717218	 0.7677548256	-0.500489
+C	-0.7942277445	 2.3097053949	 1.635540558	-0.266641
+H	 1.947245355	 3.0737952918	 2.5419662445	 0.287526
+H	 1.3629144925	 0.4287011983	 3.4791568239	 0.106559
+H	-0.0774179264	 1.3518023837	 4.0355709737	 0.084806
+H	-0.5944177193	-1.0235153204	 2.3803388249	 0.075328
+H	-2.4271369933	 0.7421060267	 1.4036644062	 0.068105
+H	-0.8019599782	-0.4931542274	-0.3041477971	 0.100776
+H	-0.5588419334	 1.2181706263	-0.7856430483	 0.088991
+H	 2.4946025404	 0.651772639	 0.8183901864	 0.287885
+H	-0.8530645825	 2.9786197531	 0.7727828538	 0.09971
+H	-1.2444206222	 2.8036987381	 2.5023100306	 0.084976
+19
+0 2150	2.625449	2.0399953	1.471505	1.7822	73.59	-0.24622	0.09014	0.33636	941.7794	0.1584	-422.531842	-422.524546	-422.523601	-422.562986	29.765
+C	 0.1042042336	-0.1046317997	-0.0054433518	-0.453316
+C	 1.5838554712	 0.1690174659	 0.1663002959	 0.418977
+C	 2.0152839477	 1.6726196593	 0.0078950968	-0.273038
+C	 2.9875851514	 1.260699087	-1.0948353102	-0.096017
+C	 3.880096907	 0.1654305927	-0.5882749443	 0.097826
+O	 4.1912515044	 0.0649325015	 0.7806404502	-0.251509
+C	 3.3221584449	-0.8439515516	 1.418216083	 0.01337
+O	 1.9842142594	-0.4112052723	 1.4115785765	-0.305264
+C	 2.4949154333	-0.1969398622	-1.0267147827	-0.193014
+H	-0.4540666614	 0.3086842713	 0.8402095914	 0.127828
+H	-0.27030922	 0.348748688	-0.9277718257	 0.115919
+H	-0.0830210294	-1.1822711848	-0.0445819975	 0.120108
+H	 1.1921828955	 2.289933677	-0.3592418639	 0.099805
+H	 2.4529972409	 2.1292068725	 0.8982167064	 0.109375
+H	 3.2515778787	 1.8413675577	-1.9698605941	 0.088367
+H	 4.7022840885	-0.1278127386	-1.2357153602	 0.097111
+H	 3.403697773	-1.8287390745	 0.9288021039	 0.081738
+H	 3.6332675219	-0.915833512	 2.4627269744	 0.116191
+H	 2.2725188394	-0.9139408273	-1.807996488	 0.085542
+19
+0 2151	2.7288113	1.9480904	1.4380172	2.3803	73.67	-0.22485	0.0797	0.30455	955.203	0.157997	-422.521088	-422.51372	-422.512776	-422.552311	29.945
+C	 0.2727583612	-0.5043283492	-0.4484792928	-0.451765
+C	 1.6654067628	-0.1139210536	-0.0001296095	 0.420735
+C	 2.1723324724	-0.8817979391	 1.2297679245	-0.260274
+C	 3.7070363749	-0.903753825	 1.253226652	-0.076909
+O	 4.2637972712	 0.3387936952	 0.8367253261	-0.250196
+C	 3.9077662966	 0.6802217149	-0.4688535187	 0.077766
+C	 2.6858028405	 1.5141445694	-0.7454582451	 0.061663
+O	 1.7145390589	 1.3322839005	 0.272806445	-0.322348
+C	 2.7070934122	 0.0467397816	-1.1267634837	-0.26941
+H	-0.4382418475	-0.3803134827	 0.3747871623	 0.127061
+H	-0.0510707851	 0.1241809257	-1.2824538932	 0.124787
+H	 0.2500646427	-1.5519073339	-0.7681669846	 0.114015
+H	 1.7738483662	-0.3768356398	 2.1157174711	 0.120462
+H	 1.7930198084	-1.9102722491	 1.2337084534	 0.094757
+H	 4.0911467105	-1.0837484938	 2.2601686286	 0.109759
+H	 4.0754286978	-1.7099020245	 0.6004900571	 0.09092
+H	 4.7612743186	 0.8656705088	-1.1187981214	 0.09454
+H	 2.6628025456	 2.4318481558	-1.3218276158	 0.100817
+H	 2.7060254421	-0.470365341	-2.0775579853	 0.093619
+19
+0 2152	2.7145157	1.9263843	1.4511743	2.5426	74.24	-0.22624	0.08335	0.30959	957.5597	0.157912	-422.518912	-422.511436	-422.510491	-422.550266	30.011
+C	 0.0928261347	-0.3962744157	-0.2167963948	-0.461686
+C	 1.5774535802	-0.1739482652	-0.0379419092	 0.385784
+C	 2.1912776029	-0.9871686139	 1.1046461014	-0.109922
+O	 3.4770497599	-0.5227229854	 1.4536966245	-0.241798
+C	 4.4001244731	-0.4103577095	 0.3858905132	-0.094941
+C	 3.8243285375	 0.1757840609	-0.8898706268	-0.090326
+C	 2.741107435	 1.2252331092	-0.9757666453	 0.088777
+O	 1.8840529992	 1.2487715366	 0.1604521784	-0.319587
+C	 2.4293870277	-0.2063385935	-1.3230405585	-0.20923
+H	-0.4499124186	-0.0781440131	 0.6788168341	 0.129673
+H	-0.279683323	 0.1790677978	-1.0687457563	 0.127305
+H	-0.1214183946	-1.4563059684	-0.3940420101	 0.117485
+H	 1.5902825634	-0.8886873065	 2.0145054339	 0.109557
+H	 2.2030064977	-2.0525280086	 0.8131025142	 0.084734
+H	 5.2157343402	 0.2104755664	 0.7716972747	 0.113057
+H	 4.823207703	-1.4015136904	 0.141164121	 0.085254
+H	 4.5407706769	 0.2329260228	-1.7070531188	 0.092186
+H	 2.8053655117	 2.1245475929	-1.5777045932	 0.103161
+H	 2.160731333	-0.6895352166	-2.2534238922	 0.090517
+19
+0 2153	2.5858057	1.9229282	1.4406489	2.3523	74.08	-0.23758	0.07606	0.31364000000000003	954.3408	0.15876	-422.532582	-422.525242	-422.524298	-422.563699	30.17
+O	 0.2820902172	 0.3759310295	 0.2020687498	-0.49268
+C	-0.5981493411	 0.9222769818	 1.1515336523	 0.392148
+C	-1.3912958246	-0.0827967655	 2.0572662598	-0.288899
+C	-2.6959922544	 0.6160895572	 1.6509138823	-0.079613
+C	-2.6322008421	 2.1205044226	 1.785077307	-0.033503
+C	-1.8271431126	 2.9112380419	 2.8011613055	-0.104019
+O	-0.5534884159	 2.362050558	 3.0942499279	-0.246216
+C	 0.1794251089	 1.9659585685	 1.9481887905	-0.108788
+C	-1.9476794551	 1.4654315262	 0.6196253848	-0.174326
+H	-0.2199384862	-0.2150080372	-0.3692400071	 0.277744
+H	-1.3309248916	-1.0852739757	 1.6220836004	 0.090449
+H	-1.1345838363	-0.1300038697	 3.1176606658	 0.109488
+H	-3.6536056016	 0.1204834878	 1.5396290276	 0.084406
+H	-3.5716762197	 2.6069252177	 1.5299643167	 0.089875
+H	-1.7154745078	 3.9417239858	 2.4188313083	 0.087733
+H	-2.3500162277	 2.9700381503	 3.7618176607	 0.109048
+H	 0.4182170654	 2.8270239932	 1.3029351199	 0.091199
+H	 1.1162295363	 1.536867261	 2.3149849416	 0.114763
+H	-2.1682687812	 1.6855150167	-0.4189388638	 0.081191
+19
+0 2154	2.6392185	1.8698125	1.4216022	1.5032	73.71	-0.23118	0.07602	0.30720000000000003	959.9327	0.158868	-422.530694	-422.523401	-422.522456	-422.56183	30.134
+O	 0.287136696	 0.3388509671	 0.2298929687	-0.493647
+C	-0.6083603177	 0.9211853108	 1.1456554228	 0.414172
+C	-1.4968757905	-0.0748209467	 1.9684094396	-0.305197
+C	-2.7486005525	 0.7021279215	 1.5454104209	-0.119792
+C	-2.6169260156	 2.2003517017	 1.672361433	 0.139931
+O	-1.9811785526	 2.9456159323	 2.668685499	-0.265477
+C	-0.70418383	 2.4940703201	 3.1028168829	-0.082164
+C	 0.1702353535	 1.9350403979	 1.9759527277	-0.247269
+C	-1.8991428823	 1.5355794062	 0.5484898913	-0.205204
+H	-0.2163526044	-0.2325003386	-0.3604703599	 0.274675
+H	-1.4672825706	-1.0535048922	 1.4792876447	 0.094064
+H	-1.3000958774	-0.2187304906	 3.0349949299	 0.097808
+H	-3.7233551464	 0.2511685466	 1.3931869556	 0.084812
+H	-3.523768314	 2.7280723253	 1.3920141382	 0.105864
+H	-0.226118171	 3.3622024016	 3.5659189034	 0.10694
+H	-0.829191953	 1.7345782762	 3.8874786016	 0.098296
+H	 0.5139188351	 2.7382982084	 1.3148624814	 0.110652
+H	 1.056057797	 1.4596903361	 2.4114496392	 0.107134
+H	-2.0433407037	 1.7714350363	-0.5004316702	 0.084401
+19
+0 2155	3.2135956	1.3600048	1.2973854	2.125	74.59	-0.24129	0.07538	0.31667	1059.6978	0.155465	-422.513007	-422.504565	-422.50362	-422.545106	33.821
+C	-0.1060557685	 0.0546802763	 0.178790824	-0.458942
+C	 1.4003459596	-0.0489756728	-0.0156686322	 0.43256
+O	 1.9330703227	-1.0483574823	 0.8503371071	-0.482139
+C	 2.2642725757	 1.2147986402	-0.0314781749	-0.217422
+C	 3.2257410566	 0.6004338534	-1.0293662285	-0.118539
+C	 2.0127747762	-0.3372800244	-1.4195470568	-0.099616
+C	 1.4955745181	 0.7868375118	-2.3598084634	-0.318394
+C	 2.3433648824	 1.7173232221	-1.4942643763	 0.384035
+O	 2.7604033947	 2.9973853134	-1.7946680058	-0.463368
+H	-0.331840447	 0.348099874	 1.2118315753	 0.102582
+H	-0.560730192	 0.8007393245	-0.4776519513	 0.114269
+H	-0.5817526319	-0.9140456735	-0.0037797976	 0.124351
+H	 1.8143318664	-0.7475894669	 1.7575505869	 0.272624
+H	 2.5036475914	 1.8879352836	 0.7844701602	 0.076332
+H	 4.2964623177	 0.4696311319	-1.0139967119	 0.098015
+H	 2.0874029536	-1.3687919278	-1.7551684527	 0.07936
+H	 1.9304076449	 0.6972139593	-3.3595896421	 0.105337
+H	 0.4142364359	 0.9430772157	-2.4429535893	 0.084489
+H	 2.0582073534	 3.6111497013	-1.5519902306	 0.284466
+19
+0 2156	3.3587889	1.4242356	1.3305429	2.297	74.42	-0.23269	0.08271	0.3154	1051.3655	0.155391	-422.513122	-422.504783	-422.503838	-422.545261	33.041
+C	 3.9844460666	 1.6317386592	 2.5714859392	-0.50586
+C	 3.1238636898	 0.8864364623	 1.6109648287	 0.447888
+O	 3.3080284479	-0.5415886224	 1.47589286	-0.344097
+C	 2.5006771452	-0.443099675	 0.2629941648	-0.018966
+C	 2.7387289495	 1.0985174997	 0.1860125073	-0.195257
+C	 1.6574534238	 1.1821509939	 1.2692928208	-0.234582
+C	 1.075092022	-0.1809958718	 0.8473504519	 0.456672
+C	-0.0298935211	-0.1024990487	-0.1904059036	-0.434512
+O	 0.6758655875	-1.0658368071	 1.8577130459	-0.489713
+H	 3.7940083325	 1.3024835359	 3.5986397803	 0.134249
+H	 5.0444541447	 1.4746667355	 2.3498734054	 0.134477
+H	 3.7729322602	 2.7034400558	 2.5141091225	 0.130219
+H	 2.7174182754	-1.2163421536	-0.4719255804	 0.083404
+H	 3.0592421918	 1.7806600069	-0.5878127022	 0.100665
+H	 1.1356651165	 2.0581291424	 1.635478396	 0.086743
+H	-0.9502252242	 0.2725235086	 0.2669925293	 0.126835
+H	 0.2430168916	 0.5618903253	-1.0142958054	 0.117181
+H	-0.2365188081	-1.0999291807	-0.5900491913	 0.123147
+H	 1.4818450486	-1.2498520863	 2.3609823409	 0.281509
+19
+0 2157	3.3277627	1.4763646	1.4726044	0.4775	74.58	-0.23581	0.07524	0.31105	1007.1227	0.156204	-422.528252	-422.520409	-422.519464	-422.559928	31.356
+C	-0.0680674217	-0.6574468653	 0.0594563605	-0.508853
+C	 1.3054670204	-0.0759397614	-0.0898314264	 0.374518
+C	 2.5148697937	-0.9190958612	-0.5426500181	-0.273501
+C	 3.3980450902	 0.3208760442	-0.789791028	 0.374517
+C	 4.8780728635	 0.2223608514	-1.006231945	-0.508853
+O	 2.654524218	 0.9624758971	-1.8848330864	-0.330121
+C	 1.6711218715	 1.2647006556	-0.8998100171	 0.017752
+C	 2.667972976	 1.3072762562	 0.2499659332	 0.01775
+O	 1.8521716517	 0.5392091674	 1.1293035462	-0.330121
+H	-0.06716583	-1.4783320314	 0.7843076046	 0.131921
+H	-0.7771318331	 0.1009561657	 0.4038923337	 0.128406
+H	-0.4163923905	-1.0499693192	-0.9010590976	 0.127956
+H	 2.8511712316	-1.5739550448	 0.2640589434	 0.105482
+H	 2.3687066974	-1.478372738	-1.4692370059	 0.105481
+H	 5.3574714906	-0.2220623795	-0.1283600198	 0.127956
+H	 5.1041242025	-0.4059885372	-1.8741838323	 0.131921
+H	 5.3135428902	 1.2109903945	-1.1781651921	 0.128406
+H	 0.9070744326	 1.9896408433	-1.1758888861	 0.089691
+H	 3.1845147453	 2.1628259025	 0.6821065834	 0.089691
+19
+0 2158	3.2145764	1.4879835	1.4579169	1.0042	74.19	-0.2236	0.07686	0.30046	996.6562	0.157038	-422.53478	-422.527099	-422.526155	-422.566183	31.413
+C	-0.1094909513	-0.3232587848	 0.0929670476	-0.502008
+C	 1.3410951182	 0.0570407149	 0.0453935491	 0.418873
+C	 2.0166518126	 0.7947367254	 1.2208383104	-0.317971
+C	 3.2984763142	 1.1119315751	 0.4172116638	 0.378678
+O	 4.4722679545	 1.4633867457	 1.0696983756	-0.486867
+C	 2.7597550775	 2.0562419667	-0.6775501716	-0.291882
+C	 2.0331221752	 0.7976880878	-1.1817406478	-0.120514
+C	 3.1594799681	-0.0988880425	-0.6429734412	 0.03376
+O	 2.2622896584	-1.0796208755	-0.1149481842	-0.332843
+H	-0.3099640651	-0.9648565144	 0.9575640425	 0.129635
+H	-0.735293432	 0.5709171608	 0.1770962779	 0.122327
+H	-0.3969548802	-0.8663629074	-0.8118345365	 0.128203
+H	 1.5033833572	 1.6975167111	 1.562589567	 0.098872
+H	 2.1696222499	 0.1089806975	 2.0592303874	 0.094558
+H	 4.641319855	 0.8146054131	 1.7614779695	 0.281458
+H	 2.1845859414	 2.9291636242	-0.3567575402	 0.096743
+H	 3.5424615464	 2.3603600708	-1.3784280841	 0.108641
+H	 1.5832949324	 0.6890904098	-2.1663575289	 0.075938
+H	 4.0324034977	-0.4700169781	-1.1782824263	 0.084399
+19
+0 2159	3.0836986	1.4774538	1.4725551	1.7507	74.46	-0.25003	0.07672	0.32675	986.6334	0.157839	-422.541855	-422.534342	-422.533398	-422.573005	31.406
+O	-3.7989379328	-1.4929532722	 1.0173887916	-0.487271
+C	-2.7043595168	-0.649553187	 1.1691859221	 0.41267
+C	-1.9098578697	-0.4988344839	 2.4971098901	-0.31141
+C	-1.4281242424	 0.8019703133	 1.8371156959	-0.101627
+C	-2.7835318457	 0.9489773036	 1.0852190556	-0.103784
+C	-2.0532806043	 1.4319973967	-0.1764368158	-0.275384
+C	-0.9374179998	 0.4989710611	 0.3388780149	 0.418737
+O	 0.359692556	 0.7254390685	-0.1063322441	-0.488485
+C	-1.5780966742	-0.8938373856	 0.1526347337	-0.315175
+H	-4.4309046651	-1.2970675842	 1.7169143366	 0.277134
+H	-2.5604222957	-0.2846885494	 3.3530516623	 0.087576
+H	-1.1985690823	-1.2881426704	 2.7632392602	 0.08808
+H	-0.9484973941	 1.6240058452	 2.3649280124	 0.072506
+H	-3.6549594365	 1.437907216	 1.5196298641	 0.062216
+H	-2.4702804716	 1.2277796283	-1.1673041137	 0.094721
+H	-1.7750364428	 2.4866934737	-0.0943387624	 0.10265
+H	 0.9201119492	 0.0063684346	 0.2044295922	 0.277172
+H	-1.9374315106	-1.0608499017	-0.8657853017	 0.105153
+H	-0.9302144509	-1.7271041766	 0.4460545761	 0.08452
+19
+0 2160	2.1185132	1.9630527	1.7176139	1.254	74.51	-0.23559	0.0629	0.29849	944.3575	0.157144	-422.527029	-422.519081	-422.518137	-422.558811	31.492
+C	 4.8001346703	 0.1250584352	-0.3709766695	-0.529821
+C	 3.3007271188	 0.1701560277	-0.268875504	 0.267249
+C	 2.2742827372	 0.8464449483	-1.2159894368	-0.306061
+C	 1.3951001755	 0.2234645428	-0.1082649928	-0.169928
+C	 2.3117170986	-1.025813639	-0.1115284389	 0.10451
+O	 2.4139394026	-1.588121091	 1.1917379068	-0.281926
+C	 2.5237583731	-0.4235953078	 2.0155241592	-0.156503
+C	 2.4618280573	 0.6782992983	 0.9537612093	 0.34726
+O	 2.626416177	 2.0031952769	 1.3425903453	-0.486585
+H	 5.2267892396	-0.5076102659	 0.4149329669	 0.126727
+H	 5.1168175882	-0.2843008061	-1.3362470166	 0.1198
+H	 5.2306254433	 1.1270547846	-0.2711417798	 0.130034
+H	 2.3041198957	 1.9365431256	-1.2459761679	 0.108794
+H	 2.1783486381	 0.4218352485	-2.2197540857	 0.087451
+H	 0.3095346262	 0.2448778723	-0.0036553515	 0.068188
+H	 2.2251338433	-1.8024385855	-0.8691804387	 0.087915
+H	 1.6932475182	-0.3804893142	 2.7341227352	 0.090386
+H	 3.4700604539	-0.4239502952	 2.5706947919	 0.10607
+H	 1.897143923	 2.2491537644	 1.9219331676	 0.286439
+19
+0 2161	2.1083907	1.980242	1.7001378	1.5073	74.47	-0.22672	0.07521	0.30193000000000003	946.4904	0.157162	-422.529154	-422.521198	-422.520253	-422.560946	31.521
+C	-0.1291894826	 0.1309028133	 0.282466266	-0.510072
+C	 1.3729174702	 0.0119859637	 0.1768903131	 0.268177
+C	 2.1933101168	 1.3021584549	 0.2358106602	-0.143066
+O	 3.5344234472	 0.8071842224	 0.1100055971	-0.281572
+C	 3.3241380657	-0.5809326738	-0.0131145651	 0.064613
+C	 2.2132048619	-1.069451957	 0.9591838114	-0.138701
+C	 1.8014946348	-2.1490176137	-0.0686502365	-0.333815
+C	 2.0765022876	-0.8750080141	-0.9063544953	 0.33935
+O	 1.9011036941	-0.6509092594	-2.2583172369	-0.478687
+H	-0.4172825305	 0.6191107844	 1.220187978	 0.118875
+H	-0.5264798805	 0.7334939247	-0.5415714945	 0.130285
+H	-0.6246769004	-0.8429953994	 0.2487434107	 0.12371
+H	 1.9632666912	 1.9845949776	-0.5921650427	 0.107507
+H	 2.0774301943	 1.8423828026	 1.1841946789	 0.096668
+H	 4.2648189197	-1.1195340376	-0.1274656048	 0.080359
+H	 2.295064412	-1.1726217964	 2.038818864	 0.08014
+H	 2.4952464587	-2.9855828743	-0.1978157146	 0.087669
+H	 0.7704083142	-2.503400822	-0.0300657787	 0.103066
+H	 2.5585625556	-1.1571777861	-2.7473644004	 0.285495
+19
+0 2162	2.1586457	1.9611727	1.64046	1.4639	74.39	-0.23279	0.07943	0.31222	960.4925	0.156022	-422.510093	-422.501981	-422.501037	-422.542119	31.652
+C	 1.2077604671	 3.0353260738	 0.2030844053	-0.512407
+C	 1.9942724959	 1.7635971474	 0.0240147817	 0.250831
+C	 3.061435212	 1.357589087	 1.0309825785	-0.147553
+O	 3.5334879059	 0.1065359289	 0.4851823109	-0.279342
+C	 2.7523615596	-0.0338612027	-0.6735405791	 0.060584
+C	 2.5276227975	 1.3278959054	-1.3812869259	-0.024755
+O	 1.1906947857	 0.9126869352	-1.8111068166	-0.351152
+C	 1.283266016	 0.4256416838	-0.4240169998	 0.357369
+C	 0.1179079234	-0.2914718081	 0.1772851918	-0.535373
+H	 0.646126986	 3.0278885022	 1.1440494483	 0.118426
+H	 1.8636565281	 3.9127757358	 0.2164573523	 0.11987
+H	 0.4985142501	 3.1477547158	-0.6217682924	 0.1409
+H	 3.8916327346	 2.0724763796	 1.0942109775	 0.106023
+H	 2.6632865728	 1.1971510229	 2.0410375595	 0.105172
+H	 2.9844436069	-0.9403370802	-1.2285307155	 0.099063
+H	 3.1477980973	 1.8763075422	-2.0903343093	 0.087781
+H	 0.3761716345	-0.6522175615	 1.1781077894	 0.133816
+H	-0.7519288983	 0.3680903978	 0.2592808888	 0.1328
+H	-0.1591930651	-1.1535106152	-0.437268475	 0.137948
+19
+0 2163	2.1868115	1.945121	1.646664	1.5943	74.16	-0.23436	0.07735	0.31171000000000004	954.4295	0.157094	-422.525303	-422.517456	-422.516511	-422.557027	31.424
+C	-0.043623931	 0.1159174885	 0.0604708269	-0.525726
+C	 1.4277774822	 0.3580643613	-0.0450243022	 0.348814
+O	 2.2623110773	 0.1850183669	 1.1720264887	-0.379078
+C	 3.2120277956	 0.5869268502	 0.1181566946	-0.027171
+C	 2.515984957	-0.3131459069	-0.9292115498	-0.082397
+C	 2.5506766196	 0.3794790545	-2.293949352	-0.253073
+C	 2.3252347455	 1.8648836062	-1.8721108871	-0.291169
+C	 2.2125711103	 1.6852049071	-0.3700418598	 0.429239
+O	 1.9890078171	 2.8156103263	 0.3876332521	-0.497147
+H	-0.505308019	 0.8484168677	 0.730579335	 0.132485
+H	-0.5148404399	 0.2100534049	-0.9233553702	 0.128514
+H	-0.2475851617	-0.8873114902	 0.4468445856	 0.135462
+H	 4.2658401893	 0.662203408	 0.3889536018	 0.08661
+H	 2.6500638456	-1.3910034045	-0.8516314175	 0.078806
+H	 3.5069067051	 0.2310884984	-2.8039117996	 0.106658
+H	 1.7656228366	 0.0101286603	-2.9605822908	 0.105293
+H	 3.1595738379	 2.5188663017	-2.1411845999	 0.110168
+H	 1.415442667	 2.2992588975	-2.2966628572	 0.108963
+H	 1.9608599556	 2.5061293921	 1.3052765716	 0.284748
+19
+0 2164	2.1841725	1.9655123	1.6606512	1.1725	74.72	-0.23131	0.08205	0.31335999999999997	956.5694	0.155944	-422.513219	-422.505119	-422.504175	-422.545212	31.695
+C	 1.1521445572	 2.1904111616	 3.2235528527	-0.533333
+C	 1.6502199633	 1.410957377	 2.049321839	 0.366227
+O	 2.2233213705	 0.0714409436	 2.2666982708	-0.35162
+C	 2.3340440735	 0.2717785665	 0.8204872075	-0.013912
+C	 2.7688420722	 1.7519929959	 1.0081095335	-0.132195
+C	 2.1176392	 2.5571946492	-0.1004566103	-0.12043
+O	 0.8326995993	 1.9077268778	-0.2050924346	-0.318177
+C	 0.8991333164	 0.888023496	 0.7694712889	 0.418636
+C	-0.3484499864	 0.0610143345	 0.8443273572	-0.499618
+H	 0.3665710052	 1.636790354	 3.7473502721	 0.13617
+H	 1.9617724173	 2.3938271145	 3.9313795922	 0.134
+H	 0.734108412	 3.1456057819	 2.8898636667	 0.132891
+H	 2.7915544306	-0.5189497759	 0.2259573694	 0.088436
+H	 3.7756753447	 1.984493518	 1.3503958243	 0.083803
+H	 1.980486669	 3.6162056444	 0.150413243	 0.106986
+H	 2.646362305	 2.4912818971	-1.0590787102	 0.108043
+H	-0.2229130569	-0.709026333	 1.6091030356	 0.139729
+H	-1.2108632388	 0.684007425	 1.1007423474	 0.126207
+H	-0.5527790239	-0.4190848482	-0.1172863452	 0.128157
+19
+0 2165	2.1276383	1.995347	1.7175268	2.4962	74.86	-0.23039	0.07486	0.30525	942.7348	0.157134	-422.532026	-422.524132	-422.523188	-422.563717	31.486
+C	-0.164815654	 0.2732811355	 0.0220358473	-0.497489
+C	 1.3244411032	 0.0647829257	 0.0036628637	 0.451886
+O	 1.9985035659	 1.3161661129	 0.0802988178	-0.321341
+C	 3.3840779917	 0.9499421287	 0.0795368586	-0.113378
+C	 3.2774919928	-0.5608818657	-0.0338796183	-0.132741
+C	 2.0842386694	-0.8730608347	-0.9950319601	-0.129825
+C	 1.7121715956	-2.1009141613	-0.1301625576	-0.32928
+C	 2.0686941462	-0.9848291283	 0.8814846354	 0.343523
+O	 2.0085579489	-0.9932972058	 2.2606465314	-0.478869
+H	-0.4607770845	 0.7619052073	 0.9547664759	 0.138356
+H	-0.4661296635	 0.9176328347	-0.8090409412	 0.127815
+H	-0.7043243127	-0.6732269302	-0.0581187094	 0.121711
+H	 3.8994240757	 1.422812953	-0.7658030356	 0.097886
+H	 3.8620522558	 1.2750182412	 1.0126446408	 0.103112
+H	 4.180220735	-1.1716850113	-0.0713969452	 0.067394
+H	 2.0959139742	-0.8018078194	-2.0802187079	 0.080136
+H	 0.6753347451	-2.4433260033	-0.1593194628	 0.09811
+H	 2.4051299461	-2.9452814195	-0.1810836523	 0.08942
+H	 2.5880069491	-1.6873042995	 2.5934904594	 0.283573
+19
+0 2166	2.122903	1.9689569	1.6975733	1.5509	74.35	-0.24785	0.06975	0.3176	942.4445	0.157749	-422.541992	-422.534082	-422.533138	-422.573672	31.762
+O	 2.9209349265	-0.5353214633	 2.3655913372	-0.487957
+C	 1.6167493168	-0.7648869722	 1.9565171231	 0.329281
+C	 0.3415723064	 0.0800288842	 2.1956280264	-0.31828
+C	-0.0833511967	-1.0759002478	 1.2520819654	-0.106035
+C	 0.7776323868	-2.0783009779	 2.0847001291	-0.080697
+C	 1.3767978514	-3.1400299634	 1.157266299	-0.245483
+C	 1.7156766633	-2.2569582742	-0.071719975	-0.303347
+C	 1.2369088645	-0.8964497355	 0.4473602225	 0.415283
+O	 1.3191543606	 0.2034509273	-0.4067471242	-0.495621
+H	 2.9405098532	-0.4829509836	 3.3271555797	 0.283202
+H	-0.08056543	 0.0629885013	 3.2048732193	 0.080169
+H	 0.3333512106	 1.0817831719	 1.764340157	 0.108686
+H	-1.0713289834	-1.2637860875	 0.8366900091	 0.078125
+H	 0.4110004522	-2.3736946979	 3.0691869326	 0.060007
+H	 2.2636141815	-3.6064459791	 1.5969461571	 0.101398
+H	 0.6650945008	-3.937018452	 0.9222253102	 0.097437
+H	 2.785865674	-2.2439123887	-0.3045605148	 0.096528
+H	 1.1794190577	-2.5478964029	-0.9795521075	 0.101786
+H	 2.2519523837	 0.3877420513	-0.5624464962	 0.285518
+19
+0 2167	2.9427641	1.7912756	1.6354051	2.5016	73.59	-0.24085	0.08794	0.32879	923.1255	0.159237	-422.560125	-422.553175	-422.552231	-422.590976	28.678
+C	-0.1042064308	-0.0175857143	 0.0061174655	-0.499505
+C	 1.3891617356	 0.0834645342	-0.1077587535	 0.422083
+C	 2.3402219536	 0.6079133823	 0.9970498398	-0.277674
+C	 3.3428385256	 0.6182758799	-0.1774594551	-0.10912
+C	 2.1630387278	 1.0024425154	-1.1261389074	-0.10391
+C	 2.4704537595	 0.3495581902	-2.4728693868	-0.112306
+O	 3.4066649619	-0.6941215051	-2.1380955738	-0.255666
+C	 3.3126153703	-0.8231255117	-0.7418510825	 0.214005
+O	 1.977885423	-1.2140877264	-0.3915319032	-0.316166
+H	-0.3781443199	-0.7281757929	 0.7921964033	 0.132861
+H	-0.5392158271	 0.9555995997	 0.2512116806	 0.11771
+H	-0.5413117702	-0.36862933	-0.9339664311	 0.129514
+H	 2.0932550466	 1.6158346149	 1.3403659659	 0.099028
+H	 2.5232266105	-0.0594483978	 1.8425841805	 0.100515
+H	 4.3024318191	 1.1314841089	-0.1699565909	 0.077528
+H	 1.8572031694	 2.0476338709	-1.1381060198	 0.079914
+H	 1.5802135456	-0.0833560841	-2.9458094795	 0.107077
+H	 2.9455056177	 1.0351009243	-3.1828798853	 0.105236
+H	 4.0382485617	-1.5631278384	-0.4070850567	 0.088876
+19
+0 2168	2.8859974	1.8155891	1.6567001	1.6492	74.08	-0.22412	0.09054	0.31466	921.5662	0.158958	-422.551734	-422.544742	-422.543797	-422.58261	28.81
+C	-0.085225772	-0.1238261648	 0.0801714704	-0.503963
+C	 1.4077077034	-0.0123500663	-0.0179531667	 0.400122
+C	 2.216816479	 1.3083843059	-0.0922160221	-0.289927
+C	 3.3553596098	 0.3484418786	-0.5057694371	-0.115976
+C	 2.2889383972	-0.5200329165	-1.2251734743	 0.09005
+O	 2.661768407	-1.8771713519	-1.2070184601	-0.278367
+C	 3.5784255305	-2.0224013585	-0.1062540881	-0.07623
+C	 3.4256570866	-0.6981840234	 0.638588983	 0.057638
+O	 2.0527745176	-0.6792801971	 1.0921207656	-0.316753
+H	-0.4416191244	 0.2908797035	 1.0284826765	 0.128924
+H	-0.5665760243	 0.4187385508	-0.7385793902	 0.116873
+H	-0.3889990817	-1.1738262213	 0.0301303314	 0.135389
+H	 1.9119676279	 1.9628139599	-0.9125614457	 0.10148
+H	 2.3144069591	 1.8687193809	 0.8392962939	 0.105073
+H	 4.2887117732	 0.6625041352	-0.9697701054	 0.075812
+H	 1.9574992666	-0.2229449601	-2.2196018568	 0.085853
+H	 3.2723204314	-2.8696120922	 0.5140874311	 0.115017
+H	 4.5987020104	-2.1935705434	-0.4812198837	 0.08898
+H	 4.1136493628	-0.5240956094	 1.4670820084	 0.080003
+19
+0 2169	3.0458895	1.7058001	1.5945599	1.0282	73.33	-0.24189	0.08463	0.32652	938.2261	0.159039	-422.552645	-422.545604	-422.54466	-422.583613	28.852
+C	-0.1447854043	-0.0219228421	-0.0484788954	-0.511036
+C	 1.3540009343	-0.0861203153	-0.0735335039	 0.383665
+C	 2.1052392588	-1.2003514374	 0.6896903991	-0.246867
+C	 3.5420196637	-0.7955773632	 0.2487088447	-0.095646
+C	 3.8444234373	-1.5317533441	-1.0576039063	-0.08595
+O	 2.7890713816	-1.100803917	-1.9453387932	-0.278437
+C	 2.2471521841	 0.0608471404	-1.3680663131	 0.063756
+C	 3.1756722105	 0.6330605469	-0.2892237139	 0.05613
+O	 2.0357910311	 1.1018641218	 0.456157078	-0.331762
+H	-0.5148838457	 0.0226834139	 0.981418981	 0.128468
+H	-0.5060949732	 0.8616996596	-0.5821702356	 0.12766
+H	-0.5670601786	-0.9127626697	-0.5244064789	 0.128612
+H	 1.9362151204	-1.094666516	 1.7635608217	 0.105285
+H	 1.8338610303	-2.2116853476	 0.3754538768	 0.102272
+H	 4.3208785257	-0.8588812431	 1.0074599532	 0.074697
+H	 4.8210643068	-1.258007019	-1.4837529937	 0.095614
+H	 3.8011945132	-2.6210937844	-0.9619959088	 0.110666
+H	 1.8518463497	 0.7366664442	-2.1256147803	 0.089528
+H	 3.9610982943	 1.3708905221	-0.4458691914	 0.083346
+19
+0 2170	3.0746051	1.6818743	1.5797286	1.4025	73.14	-0.23046	0.09023	0.32069000000000003	940.0602	0.158988	-422.550557	-422.543521	-422.542577	-422.58152	28.889
+C	-0.050335258	 0.1437369567	 0.0183097149	-0.503939
+C	 1.4430747222	 0.0318107133	 0.121974164	 0.404375
+C	 2.0962745577	-0.6602570445	 1.3424126036	-0.266863
+C	 3.5638015031	-0.3845225379	 0.9205510072	 0.074107
+O	 4.0155410903	 0.8330406142	 1.5082950159	-0.274254
+C	 3.1485943372	 1.8652234054	 1.0010695825	-0.118893
+C	 2.4403417231	 1.213913816	-0.1786046701	-0.105313
+C	 3.2756928813	-0.0183900724	-0.5735065387	 0.075522
+O	 2.0830258278	-0.7331411559	-0.9589181799	-0.334236
+H	-0.4424254484	 0.7661598105	 0.8292721333	 0.123194
+H	-0.3437245413	 0.5893954116	-0.9363554004	 0.12781
+H	-0.5145532021	-0.8450752047	 0.0941546367	 0.13158
+H	 1.8713446231	-0.2147464381	 2.3146607536	 0.104607
+H	 1.829585461	-1.7195139322	 1.3524244958	 0.106846
+H	 4.2979399934	-1.1600389949	 1.1316844365	 0.081387
+H	 2.457556096	 2.2071579718	 1.7846090706	 0.097707
+H	 3.7643662061	 2.7192248241	 0.6977154009	 0.109468
+H	 2.1180649485	 1.8625529435	-0.9916240252	 0.082511
+H	 4.0852922192	-0.0313298264	-1.3008981013	 0.084384
+19
+0 2171	2.9607327	1.6948721	1.5791938	0.4854	73.28	-0.24098	0.06908	0.31006	930.9501	0.159867	-422.560177	-422.553279	-422.552335	-422.590926	28.88
+O	 0.6572964084	 0.1785892625	 0.1251641373	-0.489694
+C	-0.5690395715	 0.4154219027	 0.737227408	 0.409555
+C	-1.8578908438	 0.0819205714	-0.046324721	-0.275445
+C	-2.4995832789	 1.0610082424	 0.9628107723	-0.053296
+C	-1.1727284406	 1.870757245	 0.9466295259	-0.09993
+C	-1.0455412287	 2.4961217933	 2.3314762249	-0.12015
+O	-1.8884385925	 1.6808760289	 3.1628159881	-0.27189
+C	-2.1915126389	 0.5192669631	 2.3872858661	 0.111011
+C	-0.8730073334	-0.2510105995	 2.0962032204	-0.306433
+H	 1.3503608946	 0.2431209408	 0.7906170728	 0.28
+H	-1.8430848317	 0.4920736485	-1.0587548079	 0.106127
+H	-2.1881094139	-0.9607402806	-0.0650311495	 0.092026
+H	-3.4701778022	 1.5270520842	 0.8060879426	 0.072165
+H	-1.0115545155	 2.5277672148	 0.0925192023	 0.07827
+H	-0.0136059704	 2.4942843264	 2.7124993519	 0.08777
+H	-1.4122755505	 3.5287991386	 2.3630217923	 0.105585
+H	-2.9732518439	-0.0353273621	 2.9056493678	 0.077484
+H	-0.132366039	-0.0523429581	 2.8773292457	 0.096266
+H	-0.9938684776	-1.3333956523	 1.99299441	 0.100579
+19
+0 2172	2.9035934	1.7462475	1.6036776	2.668	73.38	-0.23326	0.07465	0.30791	925.732	0.159775	-422.560566	-422.553625	-422.552681	-422.591365	28.919
+O	 0.5844867029	 0.6720393597	 0.5205905335	-0.490757
+C	-0.7736182847	 0.9698543429	 0.503659107	 0.387791
+C	-1.8811882806	-0.045892262	 0.9281557188	-0.317356
+C	-2.763466576	 0.8274516081	 0.0135559816	-0.068193
+C	-1.5186410485	 1.0609499507	-0.8748767435	 0.10581
+O	-1.5920738181	 2.3249353845	-1.5031740332	-0.281763
+C	-2.5668560218	 3.0774462518	-0.7595319044	-0.078463
+C	-2.6946868765	 2.2937482559	 0.5508349155	-0.057956
+C	-1.2713028019	 2.260795932	 1.1873997465	-0.28763
+H	 0.9135863765	 0.7797739878	 1.419523111	 0.278658
+H	-1.7116281755	-1.0411478304	 0.5105390943	 0.104944
+H	-2.13281202	-0.1169553747	 1.9897944267	 0.089279
+H	-3.7138390518	 0.4864754914	-0.3932509218	 0.070688
+H	-1.2390712737	 0.2895803147	-1.5923467327	 0.087885
+H	-2.1976775728	 4.0988844753	-0.6189638631	 0.104605
+H	-3.5148236876	 3.1196943326	-1.316692381	 0.08997
+H	-3.5038665735	 2.6220637332	 1.2039486858	 0.068609
+H	-0.6709657414	 3.1338309528	 0.9173278007	 0.106993
+H	-1.284164015	 2.1633506236	 2.2780514983	 0.086886
+19
+0 2173	2.623396	1.7726664	1.6146759	1.6379	74.32	-0.24271	0.08584	0.32855	948.0214	0.158684	-422.518677	-422.511297	-422.510353	-422.550105	29.397
+C	 2.7647664529	 1.1561864873	-0.0837471448	-0.523594
+C	 1.7122312805	 0.0952310645	 0.1175322114	 0.224797
+C	 0.6312303268	-0.3286235946	-0.9154571452	-0.287377
+C	 0.344707888	-1.2395153498	 0.2976507382	-0.125918
+C	 0.5658944987	 0.0101200117	 1.194244496	 0.123403
+O	 0.9135696595	-0.2282978637	 2.540057783	-0.281833
+C	 2.1743244165	-0.8447315548	 2.6466816602	 0.014872
+O	 2.3741771702	-1.8417133936	 1.6735698451	-0.281832
+C	 1.8808262497	-1.4423721323	 0.4141787597	 0.123403
+H	 3.4099051145	 1.2699613228	 0.7920888337	 0.127856
+H	 3.4041371304	 0.90982776	-0.938787121	 0.123984
+H	 2.3009550965	 2.1283833804	-0.284479057	 0.123984
+H	-0.1262515655	 0.4235574666	-1.1520968473	 0.096733
+H	 0.9996504152	-0.8201304892	-1.8200239476	 0.096733
+H	-0.428716752	-1.9982147006	 0.4066197252	 0.078319
+H	-0.2018375197	 0.7877303117	 1.181028263	 0.080236
+H	 2.9651315045	-0.0818822922	 2.5592744306	 0.087
+H	 2.2292492825	-1.3220529551	 3.6280466102	 0.118998
+H	 2.3718728508	-2.0552208891	-0.3457914132	 0.080235
+19
+0 2174	2.7852122	1.5925314	1.5519504	1.9914	74.41	-0.23071	0.07495	0.30566	981.0069	0.157944	-422.507781	-422.500255	-422.499311	-422.539363	29.897
+C	-0.1371037459	-0.09084767	 0.2871564181	-0.527652
+C	 1.2860167063	-0.5131772635	 0.4623851254	 0.387981
+O	 2.2437662883	-0.2926596931	-0.647923543	-0.341261
+C	 3.0487619105	-0.9362561883	 0.4000579434	-0.019296
+C	 1.8876398583	-1.9366642117	 0.666786039	-0.056825
+C	 1.7646321849	-2.5417672767	 2.0642720456	-0.268313
+C	 2.5271750745	-1.6571495255	 3.0549162354	-0.068205
+O	 2.3293042173	-0.2717458077	 2.7900826784	-0.269272
+C	 2.3864204969	 0.0340886817	 1.4261587066	 0.083113
+H	-0.6981795851	-0.2776939152	 1.2085379648	 0.13155
+H	-0.1938940713	 0.9788225039	 0.0631549073	 0.135648
+H	-0.6136365672	-0.643657475	-0.5283839493	 0.131352
+H	 4.0990585992	-1.1225048275	 0.1745123061	 0.08954
+H	 1.686431442	-2.6221640385	-0.1598519395	 0.076696
+H	 0.705798529	-2.6191441898	 2.340674821	 0.10806
+H	 2.1768718041	-3.5564689308	 2.0926115265	 0.106075
+H	 2.2128948513	-1.8236171601	 4.0882516934	 0.110471
+H	 3.6025481572	-1.8854476136	 2.9883098947	 0.097271
+H	 2.6259241596	 1.0912979012	 1.3010258961	 0.093066
+19
+0 2175	2.6995319	1.6505637	1.5503819	0.8358	74.57	-0.23266	0.07344	0.30610000000000004	971.7236	0.157902	-422.503738	-422.496212	-422.495268	-422.535314	29.817
+C	-0.0483348129	 0.4415840747	 0.0089727488	-0.525617
+C	 1.4157660843	 0.137460994	 0.0184430457	 0.420626
+O	 1.8491204683	-1.2832191423	 0.0669964291	-0.350698
+C	 3.0984397878	-0.502523308	 0.0392994164	 0.033324
+C	 2.5070162976	 0.4663528724	 1.0894987905	-0.074442
+C	 3.0345957771	 1.8951267724	 1.1401515358	-0.119852
+O	 2.7722205213	 2.591918174	-0.0668708438	-0.24967
+C	 3.032990944	 1.8138582761	-1.2235396582	-0.119852
+C	 2.5055411633	 0.3919644054	-1.0741595922	-0.074442
+H	-0.5287746538	 0.0514913059	 0.9114620021	 0.132389
+H	-0.2003227003	 1.5244760934	-0.0287117979	 0.138923
+H	-0.5301108205	-0.0104728391	-0.8633914091	 0.132402
+H	 4.0396517148	-1.0532622263	 0.0575930436	 0.087118
+H	 2.3376877898	 0.0154479444	 2.0698339678	 0.079754
+H	 2.5362388818	 2.4667066678	 1.9296206376	 0.113858
+H	 4.1152891898	 1.8919078833	 1.3671961079	 0.091285
+H	 2.5335456458	 2.3298931714	-2.0497279258	 0.113857
+H	 4.1133766569	 1.7949951328	-1.4512883963	 0.091285
+H	 2.3349078048	-0.1252001524	-2.020979972	 0.079754
+19
+0 2176	2.7076836	1.6555862	1.5836226	2.5907	74.61	-0.23698	0.07681	0.31379	962.0815	0.159122	-422.525067	-422.51779	-422.516846	-422.556272	29.654
+O	-0.7015691239	 0.0516069034	 0.4991854595	-0.472913
+C	-1.8237566622	 0.8306048092	 0.300497939	 0.369492
+C	-3.2952967664	 0.3964111427	 0.0589846651	-0.306642
+C	-3.2972725973	 1.9434150648	-0.049498877	-0.125723
+C	-2.3650327273	 1.986899454	 1.2109037589	-0.067722
+C	-1.438953057	 3.1881217767	 1.3753184656	-0.266063
+C	-1.2535324837	 3.8526906574	 0.009421822	-0.064433
+O	-1.1107414465	 2.8873913532	-1.0246510849	-0.276779
+C	-1.9885398086	 1.8037396921	-0.8969190158	 0.121302
+H	-0.8204590758	-0.4606803168	 1.3064435924	 0.282383
+H	-3.5041163278	-0.1651048354	-0.8558468754	 0.095212
+H	-3.8253356884	-0.017660572	 0.9209440104	 0.089166
+H	-4.1602542617	 2.5726888134	-0.2542269224	 0.082477
+H	-2.8333902231	 1.659933614	 2.1455719533	 0.056519
+H	-1.8474752779	 3.9168273397	 2.0842269731	 0.096698
+H	-0.4761849606	 2.8479133273	 1.7764763912	 0.10919
+H	-2.1265319156	 4.4886053518	-0.2062660727	 0.091288
+H	-0.3622066451	 4.4844147474	-0.0294761542	 0.10669
+H	-2.0831006915	 1.342053177	-1.8832077281	 0.079858
+19
+0 2177	2.7519015	1.6269144	1.5451983	2.0067	74.83	-0.24113	0.0747	0.31583	967.0428	0.159086	-422.522338	-422.515015	-422.514071	-422.553664	29.529
+O	 0.4685288694	 0.5743948268	 0.6927675934	-0.47789
+C	-0.8744508892	 0.2773601372	 0.5464456864	 0.387899
+C	-2.0439343514	 0.4697799937	 1.5502326453	-0.301208
+C	-2.6859330854	-0.0526722655	 0.2357007188	-0.06917
+C	-1.5196044247	-1.0876077291	 0.1299281476	-0.080899
+C	-1.1833235306	-1.6213975937	-1.2547718971	-0.114065
+O	-1.6683093364	-0.7697965184	-2.2772190008	-0.249234
+C	-1.4438702217	 0.6014123859	-1.9950340833	-0.120947
+C	-1.7559487768	 0.937363799	-0.5435132521	-0.041813
+H	 0.8301797383	 0.0294390649	 1.4001897222	 0.282941
+H	-2.0754156671	-0.2088394995	 2.4084923549	 0.083847
+H	-2.279403381	 1.4992386952	 1.8338993269	 0.093271
+H	-3.7411052556	-0.2400908727	 0.0542051597	 0.084853
+H	-1.500376591	-1.8698178426	 0.8969827875	 0.057684
+H	-0.0906050406	-1.7598797346	-1.3421153194	 0.087997
+H	-1.6546612825	-2.5948487407	-1.4259232059	 0.105772
+H	-0.4030926835	 0.8868914434	-2.2262720848	 0.097992
+H	-2.0997052109	 1.1574460093	-2.6727539962	 0.105949
+H	-1.9549844193	 2.0033134813	-0.3944588729	 0.067018
+19
+0 2178	2.9431571	1.6720004	1.3120048	1.0521	74.8	-0.23953	0.06893	0.30846	1013.2489	0.156013	-422.52364	-422.515598	-422.514654	-422.555491	32.053
+C	 0.1673998569	-0.5732516197	-0.2045604832	-0.483057
+C	 1.0965782368	 0.1927163196	 0.6950532944	 0.449555
+C	 0.7854784617	 0.3489860905	 2.2099445084	-0.338284
+C	 2.3119247878	 0.3894158796	 2.4961236131	 0.397269
+O	 2.8065965701	-0.2984371046	 3.6050433037	-0.482619
+C	 2.952793559	 1.7495253153	 2.1036752514	-0.309431
+C	 2.8334708234	 1.335304815	 0.6167452049	 0.107628
+O	 1.4820223924	 1.4760294477	 0.1293887444	-0.34283
+C	 2.5831117348	-0.1372360762	 1.0390429464	-0.201667
+H	-0.0554902606	-1.5591549893	 0.2148745465	 0.118155
+H	-0.776969047	-0.0296369338	-0.3223927285	 0.128294
+H	 0.6103224106	-0.7037603974	-1.1962606253	 0.125181
+H	 0.1662085458	 1.2011576344	 2.5047105431	 0.09338
+H	 0.3693044638	-0.5800215916	 2.6136422308	 0.102273
+H	 2.5220932256	 0.1652384038	 4.4009148877	 0.277523
+H	 2.4650169217	 2.6798709044	 2.4088373499	 0.095356
+H	 4.0034006551	 1.751433798	 2.4125590098	 0.105524
+H	 3.5702333643	 1.6960106541	-0.1024831016	 0.079285
+H	 3.1493228779	-1.0219769401	 0.762229044	 0.078464
+19
+0 2179	2.8128496	1.6858968	1.2857071	1.4342	74.42	-0.23472	0.07483	0.30955	1011.3044	0.157053	-422.531487	-422.52375	-422.522806	-422.562874	31.957
+O	-4.1317089196	 2.0211405185	 4.7218823166	-0.483726
+C	-4.3056727216	 1.8930203526	 3.3435223244	 0.432314
+C	-5.2557106411	 0.8081655565	 2.7872609803	-0.294871
+C	-4.3389865627	 0.6465685281	 1.5465364379	-0.036825
+C	-4.483609702	 1.7942742865	 0.5149257586	-0.2647
+C	-3.654286922	 2.7201010626	 1.4206861082	 0.441975
+O	-2.8259225424	 3.5933946064	 0.7184145417	-0.484635
+C	-4.450782038	 3.2537494312	 2.6343933101	-0.342274
+C	-3.2125165635	 1.460477051	 2.2796716337	-0.229154
+H	-4.0503555771	 1.1392825698	 5.1005739617	 0.275393
+H	-5.1997578381	-0.0906284179	 3.4138022821	 0.086552
+H	-6.3096742392	 1.0658055702	 2.63711449	 0.094777
+H	-4.2056163658	-0.360933555	 1.1554718459	 0.070345
+H	-3.9059389815	 1.5731184424	-0.3869081685	 0.110873
+H	-5.4892966216	 2.119221988	 0.2282533098	 0.090023
+H	-2.3736992984	 4.1613215966	 1.3514462544	 0.275793
+H	-3.8483415878	 3.9863808425	 3.1846485394	 0.098199
+H	-5.4533614769	 3.6613677885	 2.4710657526	 0.095616
+H	-2.1959412508	 1.1318052315	 2.4819827911	 0.064324
+19
+0 2180	2.3181325	1.8383508	1.596004	2.0035	74.57	-0.24034	0.06591	0.30625	961.2139	0.156557	-422.522003	-422.513985	-422.513041	-422.553881	31.732
+C	 2.0328811903	-1.7297740912	 0.2879764521	-0.539193
+C	 1.5699794302	-0.340859562	-0.0303506816	 0.241143
+C	 0.156438072	 0.1433974141	-0.476003491	 0.054228
+C	 0.0855624269	 1.1065639467	 0.7351203977	-0.315087
+C	 1.6118918577	 0.9399645744	 0.931688003	 0.359952
+O	 2.1591946007	 0.998648841	 2.2108273623	-0.475468
+C	 2.4408955193	 1.6826923255	-0.1339072835	-0.280774
+C	 2.0472393749	 0.6075665037	-1.1725631928	 0.053685
+O	 0.693983582	 0.794694908	-1.6454184023	-0.306342
+H	 1.4671600609	-2.1568690846	 1.1246811709	 0.114566
+H	 1.9120588241	-2.400691266	-0.5700040174	 0.127429
+H	 3.0907356609	-1.7349243119	 0.5735899155	 0.129255
+H	-0.7060698351	-0.4837260289	-0.7107960962	 0.077059
+H	-0.3231595632	 2.1072742861	 0.5705084001	 0.106787
+H	-0.454295698	 0.6213896529	 1.5595941826	 0.08619
+H	 1.5396959825	 0.5984649586	 2.8302979695	 0.276928
+H	 2.1951754915	 2.7232143885	-0.3615077724	 0.101955
+H	 3.502609968	 1.595730578	 0.1194173172	 0.110072
+H	 2.7364856544	 0.3615386071	-1.9826120738	 0.077616
+19
+0 2181	2.3553868	1.8469301	1.6152578	0.8663	74.57	-0.23888	0.06198	0.30086	960.2842	0.156445	-422.520592	-422.512549	-422.511605	-422.552458	31.875
+C	 0.0193834687	 0.0722108051	 0.07888644	-0.489294
+C	 1.5190733306	 0.0574368522	-0.0201246382	 0.358998
+C	 2.2519153316	 0.6640236904	-1.2463507977	-0.267406
+C	 3.4592246735	 1.0407129086	-0.3430381687	-0.092977
+C	 4.3167253317	-0.1953431623	 0.0424553634	-0.237267
+C	 3.208381666	-0.6531415594	 1.0182255049	 0.020076
+O	 2.0886233488	-1.2361813322	 0.3181587616	-0.339652
+C	 2.5617887828	 0.7718470153	 0.9179611233	 0.307341
+O	 2.3484730767	 1.7181764665	 1.8930352825	-0.470857
+H	-0.3114476631	-0.2588503304	 1.0687596636	 0.11435
+H	-0.3728775553	 1.0769713809	-0.1053379342	 0.12227
+H	-0.4176565816	-0.6062382018	-0.6626677025	 0.132184
+H	 2.4316409099	-0.0110845366	-2.0872546066	 0.09926
+H	 1.7343406856	 1.5610466245	-1.6017673024	 0.100698
+H	 3.9667273007	 1.9857975567	-0.5299239038	 0.075285
+H	 4.5971597142	-0.8971516355	-0.7472657091	 0.101099
+H	 5.210325685	 0.1097692494	 0.5968689163	 0.103436
+H	 3.4693327866	-1.2117080924	 1.9200926394	 0.073536
+H	 1.7765822476	 1.340758571	 2.5717372882	 0.288919
+19
+0 2182	2.3625064	1.8171605	1.5964576	2.5244	74.45	-0.24026	0.05518	0.29544	963.0081	0.156441	-422.51603	-422.507972	-422.507028	-422.547919	31.842
+C	-0.0256214078	 0.2685043908	-0.5173791733	-0.499491
+C	 1.336930022	-0.0211848089	 0.065403787	 0.246802
+C	 1.8105193193	-1.4993541127	 0.1889482989	-0.282819
+C	 3.258382292	-1.0869118312	-0.1655657676	 0.021619
+O	 3.9222962888	-0.4683495325	 0.9580829705	-0.300109
+C	 3.2707347368	 0.7984630584	 0.7161014795	 0.061549
+C	 1.8299753507	 0.8213062026	 1.2795635753	-0.283055
+C	 2.7264374461	 0.3078774983	-0.6487786556	 0.312676
+O	 2.9419472301	 0.98542843	-1.8272755854	-0.469518
+H	-0.8223656488	-0.0224345613	 0.1778775941	 0.123841
+H	-0.1475812469	 1.3360616828	-0.7320293782	 0.120183
+H	-0.1926596525	-0.2840141726	-1.450315653	 0.103432
+H	 1.6690095925	-2.0074783895	 1.1464476607	 0.102703
+H	 1.3785552928	-2.1097157036	-0.6133058429	 0.090484
+H	 3.9100174895	-1.779966587	-0.7014948204	 0.07804
+H	 3.9367739259	 1.6471568171	 0.8781038467	 0.084107
+H	 1.689122376	 0.4132793845	 2.2839353799	 0.10153
+H	 1.419926178	 1.8364446564	 1.2356419236	 0.100211
+H	 2.4529505055	 0.5487756484	-2.5339347298	 0.287813
+19
+0 2183	2.3484466	1.8027851	1.6166577	0.6741	74.09	-0.22275	0.06479	0.28754	954.8053	0.156908	-422.528407	-422.520281	-422.519336	-422.560644	32.131
+O	 1.3632498098	 2.8990657994	 1.2883291099	-0.489725
+C	 0.4518263407	 1.8672387054	 1.5339194524	 0.349139
+C	-0.6391647606	 1.7303593351	 0.4563133788	-0.267288
+C	-0.5663246085	 0.1804890531	 0.5374114379	-0.120522
+C	-1.257167519	-0.3820305599	 1.8050486067	-0.220682
+C	-0.0627151447	 0.0683240555	 2.6844294409	-0.08549
+C	-0.0498392878	 1.5990227783	 2.9712533393	-0.30263
+C	 0.7683937199	 0.3236627723	 1.3821698712	 0.338807
+O	 2.0149089493	-0.2209168032	 1.1545429181	-0.482774
+H	 1.9406100895	 2.9821567657	 2.0549181359	 0.277864
+H	-1.6044800621	 2.2107285105	 0.6437520319	 0.091496
+H	-0.240713321	 2.0891917548	-0.4974805846	 0.105829
+H	-0.6658912236	-0.3778580312	-0.3931923789	 0.067609
+H	-2.2463400926	 0.0142405053	 2.0574365196	 0.088874
+H	-1.315770389	-1.4734992472	 1.7661401324	 0.103657
+H	 0.2601931022	-0.5916308439	 3.4886552433	 0.073195
+H	-0.9802733102	 2.0774968834	 3.2934732241	 0.096349
+H	 0.7376947874	 1.8373924382	 3.6970396934	 0.089849
+H	 2.4682796102	 0.3448697585	 0.5175830278	 0.286442
+19
+0 2184	3.1398028	1.7672099	1.7553448	1.7948	73.54	-0.24444	0.08937	0.33381	900.9747	0.159096	-422.573204	-422.566382	-422.565438	-422.603828	28.7
+C	-0.0358769594	 0.1354595593	 0.4015437475	-0.474395
+C	 1.3287142665	-0.1130128965	-0.1802288767	 0.471578
+C	 1.6964448155	-1.4723624802	-0.803187485	-0.267501
+C	 3.0988624365	-1.0007757519	-1.1388582683	-0.109088
+C	 3.5735841014	-0.2309837887	 0.1480591059	 0.096732
+C	 3.965610936	 0.9717522094	-0.7399332426	-0.243486
+C	 2.8979296772	 0.444794718	-1.7254014036	 0.096731
+O	 1.5901800502	 0.8005163599	-1.2495815955	-0.306433
+O	 2.3368974222	 0.0536579795	 0.8208913413	-0.306436
+H	-0.2272266414	-0.5644652578	 1.2180056007	 0.128299
+H	-0.0936304412	 1.1548390562	 0.7898351043	 0.13799
+H	-0.7996138977	 0.0075476967	-0.3688241376	 0.128293
+H	 1.6624490415	-2.2871234676	-0.0767068904	 0.106488
+H	 1.0854259139	-1.7099910161	-1.6766600339	 0.106487
+H	 3.8090700333	-1.6589242708	-1.6323946434	 0.079355
+H	 4.2793418908	-0.6602293798	 0.8606548001	 0.075339
+H	 3.815691414	 1.970343277	-0.3256653051	 0.108739
+H	 4.9778088399	 0.8660851519	-1.1430908471	 0.095967
+H	 2.9614847211	 0.6578527217	-2.7934391206	 0.07534
+19
+0 2185	3.2279209	1.7541043	1.6877706	1.4447	73.11	-0.25038	0.08583	0.33621	909.5131	0.159252	-422.57636	-422.569526	-422.568582	-422.60704	28.601
+C	-0.0473147608	-0.0348077414	 0.0187705318	-0.477461
+C	 1.4537753452	 0.0575423046	 0.0088506254	 0.454538
+C	 2.1462962121	 1.0623169663	-0.9443984248	-0.251378
+C	 3.6061394963	 0.9417509662	-0.4509745757	-0.088486
+C	 4.2321036991	-0.3917725307	-0.9330489085	-0.249661
+C	 3.4048823488	-1.0923740231	 0.1648698448	 0.071574
+O	 2.0356325106	-1.2335742924	-0.2257298024	-0.30629
+C	 3.3402791365	 0.2654805978	 0.9513646816	 0.071913
+O	 1.9831422916	 0.4406472449	 1.2761040966	-0.267855
+H	-0.3674753759	-0.7563772767	 0.7735632204	 0.13839
+H	-0.4833674153	 0.9406843544	 0.2468127349	 0.12849
+H	-0.4080042662	-0.3636989467	-0.9586819096	 0.130987
+H	 2.023410188	 0.7920676609	-1.995849977	 0.103969
+H	 1.7420190223	 2.065348996	-0.782315215	 0.104145
+H	 4.1876189604	 1.8607912922	-0.5173160571	 0.070039
+H	 4.0458694168	-0.7028620879	-1.9638591217	 0.103054
+H	 5.3045014115	-0.4460961116	-0.7203487974	 0.099065
+H	 3.7462591806	-2.0247459643	 0.6164283127	 0.077562
+H	 3.9975713984	 0.4529284215	 1.796156301	 0.087405
+19
+0 2186	3.2061146	1.7134986	1.645141	0.7987	72.93	-0.24197	0.07775	0.31972	917.2407	0.159324	-422.572921	-422.566112	-422.565168	-422.603575	28.539
+C	 0.0636983273	-0.3034861279	-0.5135483655	-0.476234
+C	 1.5090642013	-0.0892151689	-0.1324544738	 0.354446
+C	 2.3021380738	-1.3354873083	 0.3501724636	-0.249445
+C	 3.5441475212	-0.6559063088	 0.9483203584	 0.056896
+O	 4.425582131	-0.2068448368	-0.1078641743	-0.305677
+C	 3.6205719062	 0.9854453918	-0.2644266135	 0.056895
+C	 2.3963357245	 0.6875666024	-1.1446041913	-0.249444
+C	 3.003403367	 0.7949976285	 1.1584242219	 0.056777
+O	 1.6048199629	 0.7670673965	 1.0324869872	-0.285409
+H	-0.4852131582	-0.7763046389	 0.3062944946	 0.125146
+H	-0.4188394418	 0.6501755164	-0.7474079252	 0.125151
+H	-0.0064887203	-0.9500547744	-1.3932790425	 0.121137
+H	 1.7238875354	-1.8618531645	 1.1163830204	 0.101509
+H	 2.570779057	-2.0326752852	-0.4464909439	 0.108522
+H	 4.0718849866	-1.2060861374	 1.728746056	 0.079885
+H	 4.2146127951	 1.8592595775	-0.5361489658	 0.079885
+H	 1.8854247769	 1.6073888376	-1.4469460399	 0.101508
+H	 2.6707541376	 0.1144588548	-2.0329474737	 0.108521
+H	 3.3310730065	 1.4007901456	 1.9989628172	 0.089929
+19
+0 2187	3.0999852	1.6738996	1.6393231	2.1993	72.84	-0.23842	0.07176	0.31018	914.2817	0.159927	-422.574277	-422.567572	-422.566628	-422.60473	28.727
+O	 0.1538126408	 0.0547575717	 0.2957550135	-0.499325
+C	-0.7985025624	 0.7422152399	 1.06558031	 0.392723
+C	-1.4606082984	 1.8717325225	 0.2473645794	-0.244491
+C	-2.541343814	 2.3665704268	 1.2285581122	 0.092819
+O	-1.9253648784	 3.1658755809	 2.2672079872	-0.298412
+C	-1.5978949288	 1.9467609278	 2.972732609	 0.098571
+C	-0.2942255427	 1.3563653947	 2.3987885353	-0.282859
+C	-2.7142486195	 1.162176376	 2.2092307588	-0.069588
+C	-2.0465332186	-0.0408543445	 1.5539356453	-0.288353
+H	 0.5686601451	-0.611188054	 0.8546864997	 0.273692
+H	-0.7704205837	 2.6731857502	-0.0255258234	 0.110797
+H	-1.8974180659	 1.4552235281	-0.6667065602	 0.101189
+H	-3.3993152581	 2.8670938851	 0.7762335445	 0.077377
+H	-1.6257591741	 2.0743041376	 4.0566326672	 0.076565
+H	 0.4697806081	 2.1254406119	 2.2639244791	 0.112143
+H	 0.1078237529	 0.5685297334	 3.0496220434	 0.081905
+H	-3.6759580884	 1.0512055695	 2.7049884836	 0.075423
+H	-1.7986252676	-0.8393318579	 2.2624246546	 0.087302
+H	-2.6198966066	-0.4680610799	 0.7259519208	 0.10252
+19
+0 2188	2.7471113	1.9630282	1.4797332	1.9396	73.93	-0.24268	0.07315	0.31583	942.4031	0.15789	-422.537111	-422.529743	-422.528799	-422.568626	29.431
+C	-0.0314410346	 0.0124720418	 0.0856006621	-0.458807
+C	 1.4776473482	 0.0060386753	-0.0405022779	 0.420083
+C	 2.1894629264	 1.3945130028	-0.2156822638	-0.281013
+C	 3.0095126139	 0.8084979234	-1.3803756389	 0.110147
+O	 4.1621854232	 0.0664301404	-0.9166448633	-0.313588
+C	 3.410129765	-1.1724966493	-0.8583103368	 0.100014
+C	 3.0926134577	-1.6032037384	 0.56558503	-0.098636
+O	 2.0285944038	-0.7726218915	 1.0243436599	-0.309739
+C	 2.1401914637	-0.4758567629	-1.3706137513	-0.179426
+H	-0.3289060866	 0.4505698376	 1.0437306213	 0.129443
+H	-0.4906705728	 0.5980813682	-0.7165823085	 0.111876
+H	-0.4236545081	-1.0084638145	 0.0430156557	 0.119053
+H	 1.4929915235	 2.168167104	-0.5548442967	 0.096319
+H	 2.7575750527	 1.7556594197	 0.6435550897	 0.111575
+H	 3.2400713336	 1.4251356472	-2.2509961699	 0.078924
+H	 3.8798218404	-1.9547926393	-1.4626666809	 0.080278
+H	 2.7807169018	-2.6584456545	 0.587636524	 0.092832
+H	 3.9623284783	-1.4826876611	 1.221527246	 0.115275
+H	 1.5439638898	-0.8775460288	-2.1863992307	 0.07539
+19
+0 2189	2.7608444	1.9651665	1.4692712	1.9475	73.86	-0.24266	0.07421	0.31687	945.629	0.15793	-422.537359	-422.529919	-422.528975	-422.569016	29.495
+C	-0.0411785347	-0.3684912582	 0.0723743907	-0.472789
+C	 1.4041376895	 0.0497444365	-0.0932081915	 0.412359
+C	 2.0355340961	-0.2890434789	-1.4447863647	-0.106465
+O	 3.4439986952	-0.3991872001	-1.2489720257	-0.274491
+C	 3.7741062231	-0.2824213268	 0.1258261891	 0.104511
+C	 4.0101979074	 1.1765383173	 0.6362806649	-0.259327
+C	 2.5867288727	 1.1741771831	 1.2277495755	 0.107007
+O	 1.5848928052	 1.4645784972	 0.2276418093	-0.347381
+C	 2.4627588598	-0.3485712328	 0.9574746035	-0.188876
+H	-0.4037662492	-0.105123096	 1.0692966494	 0.12677
+H	-0.6716917697	 0.1448357438	-0.6616217087	 0.130502
+H	-0.1557249824	-1.4478604833	-0.07073819	 0.118868
+H	 1.6482696895	-1.240953691	-1.8345661414	 0.092094
+H	 1.8223333242	 0.5008954985	-2.1746238098	 0.11279
+H	 4.5710456325	-0.9951167738	 0.3491399636	 0.081915
+H	 4.77483027	 1.2044471833	 1.4196985056	 0.098431
+H	 4.2251248172	 1.9330300704	-0.1210122759	 0.112124
+H	 2.3863855495	 1.6826431153	 2.1728897263	 0.077629
+H	 2.2757383742	-1.1380212347	 1.6815095699	 0.074328
+19
+0 2190	2.7149175	1.9116796	1.4403835	1.3584	73.57	-0.24065	0.06429	0.30494	948.5835	0.158356	-422.537712	-422.530289	-422.529345	-422.569247	29.841
+O	 0.5310829952	-0.0706692672	 0.5532223124	-0.489038
+C	-0.72976834	 0.5126788443	 0.7837846841	 0.38507
+C	-1.5732343966	-0.1229153026	 1.9381013597	-0.301924
+C	-2.7061859906	-0.4867073963	 0.9374360047	-0.027282
+C	-3.7392696067	 0.6392894339	 0.690361399	-0.242224
+C	-2.7362215445	 1.3421243368	-0.2683073752	 0.110468
+O	-2.0463747964	 2.432189128	 0.3472459925	-0.275358
+C	-0.7292815973	 2.043266936	 0.7101133505	-0.133698
+C	-1.8217315429	 0.0878805375	-0.2265574601	-0.111981
+H	 1.088268296	 0.1056591545	 1.319482285	 0.278355
+H	-1.0663248462	-1.0115348925	 2.3227159636	 0.104235
+H	-1.8441693182	 0.5297367575	 2.7737550547	 0.095418
+H	-3.0721762865	-1.5122770355	 0.9700478744	 0.069636
+H	-4.6150446893	 0.2677841642	 0.1499825535	 0.098992
+H	-4.0700200529	 1.2323976377	 1.547206266	 0.099475
+H	-3.1332944971	 1.6686368589	-1.2332380739	 0.07814
+H	 0.0045672324	 2.3593312905	-0.0472999231	 0.094513
+H	-0.4783171719	 2.5265595515	 1.6626504743	 0.094623
+H	-1.5326255165	-0.4310952873	-1.1379449421	 0.07258
+19
+0 2191	2.6254188	1.9468075	1.4505185	1.3427	73.37	-0.24168	0.06548	0.30716	946.9676	0.158392	-422.544726	-422.537292	-422.536348	-422.576624	29.783
+O	 0.5668943182	 0.0194227122	 0.5190907739	-0.492614
+C	-0.7163184409	 0.5421182406	 0.782145336	 0.424623
+C	-1.4747517046	-0.118496425	 1.985857241	-0.308749
+C	-2.6602279607	-0.4132915954	 1.0493687807	 0.122337
+O	-3.5126010038	 0.7406344934	 0.8631730297	-0.322194
+C	-2.7959670152	 1.1509446176	-0.3370650632	 0.125361
+C	-2.0287340859	 2.4556784104	-0.139712767	-0.225584
+C	-0.7891038665	 2.0920719321	 0.721359525	-0.287518
+C	-1.8102063567	-0.0176511636	-0.1827947968	-0.157038
+H	 1.1613891055	 0.3214270931	 1.2146420185	 0.275408
+H	-0.9639153901	-1.0414478032	 2.2779802827	 0.102542
+H	-1.6865395218	 0.4918181401	 2.8680218682	 0.097125
+H	-3.2319000339	-1.3350694742	 1.174863865	 0.076519
+H	-3.4668715705	 1.1559993982	-1.2028258644	 0.071857
+H	-1.7196088838	 2.8406058516	-1.1180147756	 0.102126
+H	-2.6678933046	 3.2137571953	 0.3214078137	 0.11208
+H	 0.1289125912	 2.4638453837	 0.2572785143	 0.101848
+H	-0.8479378601	 2.5239125681	 1.7247672731	 0.100338
+H	-1.5122732159	-0.6609198349	-1.0065143948	 0.081533
+19
+0 2192	2.9097263	1.8820996	1.647436	0.4755	72.95	-0.24039	0.084	0.32439	909.7461	0.15946	-422.572918	-422.566087	-422.565143	-422.603611	28.505
+C	 0.7307881083	-0.6329634721	 1.3111452632	-0.489492
+C	 1.5448415561	-0.0913637982	 0.1643152016	 0.40264
+C	 1.5196117431	 1.4353561975	-0.0780509749	-0.255321
+C	 2.8783887592	 1.6174009255	-0.7933652676	 0.045107
+C	 2.8896025511	 0.7744621423	-2.0905973283	-0.226959
+C	 2.6542558718	-0.6202311414	-1.4835876153	 0.063578
+O	 1.2696503568	-0.7677983366	-1.0964044745	-0.339601
+C	 3.0785047125	-0.3691635656	-0.0039048937	 0.011149
+O	 3.7623016889	 0.8598459898	 0.0576484639	-0.258112
+H	 0.8484551662	-1.7176559257	 1.3881927362	 0.123961
+H	 1.0474305192	-0.1767435977	 2.2544539891	 0.123163
+H	-0.333319541	-0.4163430962	 1.1680470146	 0.128169
+H	 0.6529537028	 1.7258709099	-0.6757768287	 0.108372
+H	 1.5185646204	 1.9922253953	 0.8636785172	 0.103073
+H	 3.2448589825	 2.63973532	-0.8787859041	 0.079992
+H	 2.1089411233	 1.0369450231	-2.8075623972	 0.109537
+H	 3.8695586945	 0.8438708342	-2.5719779809	 0.105526
+H	 3.0212657594	-1.4696035652	-2.0613616366	 0.078703
+H	 3.5687971149	-1.142477179	 0.5823817062	 0.086514
+19
+0 2193	2.8549455	1.9503466	1.6678348	1.6076	73.03	-0.25171	0.08902	0.34073	902.8412	0.159435	-422.574237	-422.567413	-422.566469	-422.604917	28.482
+C	-0.0333457223	-0.2167838627	 0.0754050745	-0.482877
+C	 1.4281484934	 0.1301165541	-0.0528194759	 0.405601
+C	 2.0653032868	 0.5041631726	-1.4135230784	-0.275677
+C	 3.4099561982	-0.0324598134	-0.8604907349	-0.088133
+C	 4.041062366	 0.990145658	 0.1142515481	-0.235333
+C	 3.1084152249	 0.7821766851	 1.3232280207	 0.167184
+O	 3.0910921076	-0.6300124378	 1.4667402816	-0.242886
+C	 2.5960459359	-0.9024699827	 0.1734469564	 0.030294
+O	 1.7818567556	 1.1207470079	 0.9372955838	-0.309771
+H	-0.2457677018	-0.60911729	 1.0741634938	 0.130953
+H	-0.6542645104	 0.6716688968	-0.0799131536	 0.128276
+H	-0.3192938248	-0.9676975883	-0.6674788156	 0.112212
+H	 1.6734695917	-0.1186541029	-2.2240871064	 0.097179
+H	 2.0154707723	 1.5567316426	-1.7035529824	 0.101138
+H	 4.1137865755	-0.5091488673	-1.5414917099	 0.071205
+H	 5.0669932101	 0.7235628512	 0.3822064756	 0.107212
+H	 4.0210240562	 2.0152155906	-0.262465762	 0.10646
+H	 3.357112156	 1.271137377	 2.2640979794	 0.090511
+H	 2.4326195292	-1.9645407306	 0.0097379653	 0.086454
+19
+0 2194	2.890117	1.885221	1.6382608	1.8472	72.88	-0.25352	0.09184	0.34536	910.235	0.159523	-422.570737	-422.563932	-422.562988	-422.601411	28.389
+C	-0.0218041909	 0.2554764081	 0.3218116112	-0.49724
+C	 1.4351590042	-0.0071329786	-0.0006412376	 0.291567
+C	 1.963508671	 0.2325176971	-1.4441165278	-0.291141
+C	 3.3170327033	 0.6240331965	-0.8185498463	 0.067682
+O	 4.0665966581	-0.5339581274	-0.4256391764	-0.275892
+C	 3.464551745	-0.9249708381	 0.8049105962	 0.170251
+C	 2.0099362066	-1.3498566004	 0.5290478347	-0.280941
+O	 3.3038444525	 0.2862234478	 1.5265948821	-0.240904
+C	 2.5762405731	 0.9601365323	 0.522837323	 0.033682
+H	-0.1996798007	 0.2166312563	 1.4023149307	 0.12121
+H	-0.3367889823	 1.2414859629	-0.0374152378	 0.111845
+H	-0.6725936955	-0.4906337997	-0.1487728266	 0.119651
+H	 1.9660605686	-0.6119401221	-2.137788353	 0.103259
+H	 1.4794163855	 1.0942516128	-1.9166559991	 0.096308
+H	 3.9838139221	 1.3264660268	-1.3187942079	 0.080941
+H	 4.1193646454	-1.6165453342	 1.3327514936	 0.092446
+H	 1.9377892482	-2.1640239186	-0.1957042464	 0.106662
+H	 1.5262737907	-1.6545756462	 1.4620685257	 0.104071
+H	 2.3482369651	 1.9875278247	 0.7952579716	 0.086543
+19
+0 2195	2.8662709	1.9434771	1.6861815	2.0854	73.29	-0.24675	0.091	0.33775	898.1935	0.159251	-422.571796	-422.564978	-422.564033	-422.602438	28.6
+C	 0.0318010808	 0.2736835861	 0.2681961618	-0.482376
+C	 1.0913924583	-0.2991880887	-0.6375607825	 0.420399
+C	 0.8143570405	-0.5856604608	-2.1365141713	-0.268006
+C	 2.3355482779	-0.4228984422	-2.3439650091	 0.089029
+O	 3.0071111176	-1.6243933434	-1.9224569387	-0.275979
+C	 2.9862092647	-1.544103028	-0.5040143735	 0.184782
+C	 3.505056903	-0.1288037413	-0.2178664599	-0.253639
+C	 2.3975794313	 0.4818929296	-1.0607108653	-0.133477
+O	 1.6426814967	-1.5027986807	-0.0475565236	-0.311171
+H	 0.4525099661	 0.5413305574	 1.242354872	 0.122258
+H	-0.4154525734	 1.1667080875	-0.1785920529	 0.113763
+H	-0.7623761322	-0.4615791576	 0.4339175627	 0.131196
+H	 0.3773922172	-1.5541460409	-2.3869432502	 0.107561
+H	 0.251489848	 0.2273297272	-2.6067264098	 0.093114
+H	 2.7419692633	-0.1033840909	-3.3040424314	 0.077106
+H	 3.4890348479	-2.4126494105	-0.0828371324	 0.090377
+H	 3.4562786381	 0.1310992913	 0.8415180235	 0.108527
+H	 4.5102514397	 0.0398731614	-0.6095833586	 0.10882
+H	 2.3235162344	 1.5587078243	-1.1894156007	 0.077716
+19
+0 2196	2.8270911	1.8755181	1.6150918	1.0365	72.65	-0.23223	0.08003	0.31226	907.7916	0.160053	-422.577275	-422.570522	-422.569578	-422.607806	28.731
+O	-0.6080885618	 0.8984796308	 0.2598009004	-0.496937
+C	-1.8611013154	 0.291779578	 0.4051898404	 0.415573
+C	-2.9029395149	 0.7020822042	-0.6492295695	-0.277081
+C	-3.5015360664	-0.7235304822	-0.5325437008	-0.071829
+C	-4.3779189548	-0.8862037187	 0.7307179596	-0.216822
+C	-3.2863168091	-0.9970858211	 1.8180454737	 0.059168
+C	-2.4617730845	 0.3071492059	 1.8344874803	-0.29044
+O	-2.3638280589	-1.931311001	 1.2318152904	-0.258991
+C	-2.1208927523	-1.2204980176	 0.0339117703	 0.030399
+H	-0.0298834071	 0.5732372283	 0.9585532601	 0.275863
+H	-3.5497706956	 1.55468396	-0.422438743	 0.093102
+H	-2.4202364483	 0.8602503264	-1.617541462	 0.108772
+H	-3.9155138056	-1.1830740919	-1.4287304961	 0.072185
+H	-5.0657145461	-0.0505468668	 0.8885776874	 0.097306
+H	-4.9554799305	-1.8136166854	 0.6942532348	 0.106053
+H	-3.6129532404	-1.3657265313	 2.7904237139	 0.07669
+H	-3.0467351229	 1.2061769186	 2.0441699227	 0.103407
+H	-1.6627239857	 0.2261948735	 2.5800780653	 0.09272
+H	-1.4158217397	-1.7358628997	-0.6147123678	 0.080862
+19
+0 2197	2.8232958	1.875763	1.6386276	1.5453	73.3	-0.24301	0.07662	0.31962999999999997	902.5655	0.159868	-422.573403	-422.566688	-422.565744	-422.603864	28.774
+O	 0.7014880685	 0.4768676165	 0.8242991024	-0.49194
+C	-0.6751477802	 0.7202058116	 0.8842614854	 0.410983
+C	-1.6914203587	-0.3320136999	 0.3828429633	-0.304773
+C	-2.6807031629	 0.2892314075	 1.3977101594	 0.104782
+O	-3.2551743308	 1.4995930204	 0.8887223573	-0.283084
+C	-2.2457262192	 2.505684228	 1.0836592204	 0.089326
+C	-1.7829204141	 2.2536854084	 2.529856435	-0.237791
+C	-1.4731806702	 0.787352614	 2.2583540322	-0.121941
+C	-1.0041893767	 2.0980057991	 0.2666673923	-0.259252
+H	 0.8619652482	-0.4213524938	 1.1320513835	 0.27436
+H	-1.9728127066	-0.333063468	-0.6734337552	 0.102634
+H	-1.4070130254	-1.3446159263	 0.69498549	 0.083482
+H	-3.4728677793	-0.3285438686	 1.8216003269	 0.076219
+H	-2.6804367845	 3.4763283112	 0.8456028355	 0.075541
+H	-0.9052426302	 2.8417535659	 2.811303235	 0.104174
+H	-2.5823182473	 2.4106886349	 3.2588954435	 0.102873
+H	-1.1313899922	 0.1387169681	 3.0635295117	 0.063747
+H	-1.1987774487	 2.0414721782	-0.8070300572	 0.102985
+H	-0.1731554696	 2.7887480428	 0.4391522888	 0.107675
+19
+0 2198	1.9348556	1.76901	1.7396693	2.3772	75.39	-0.21257	0.05716	0.26973	992.2163	0.156035	-422.513594	-422.504924	-422.50398	-422.546094	33.708
+C	 0.1132108148	 0.5786679135	-0.4812457181	-0.535902
+C	 1.4192097306	-0.0017212086	-0.0545688214	 0.184505
+C	 1.9315021277	-1.4660244094	 0.2931744311	-0.122476
+C	 2.4839923084	-0.9281490971	 1.6505086592	-0.285415
+C	 2.4710860046	 0.4224865536	 0.962042584	 0.355951
+O	 2.6647730451	 1.6559203044	 1.5409253956	-0.481215
+C	 2.8615517523	 0.2008415562	-0.5063478551	 0.251391
+O	 3.4403781234	 1.2964619479	-1.1265168115	-0.476206
+C	 3.1098042899	-1.2832283295	-0.7134027305	-0.29159
+H	-0.6758393133	 0.3806426386	 0.2533623331	 0.127692
+H	 0.1994801621	 1.6669212974	-0.5773388493	 0.126136
+H	-0.2261560345	 0.1830261319	-1.4464770899	 0.11448
+H	 1.313628933	-2.3595506354	 0.2603571526	 0.077061
+H	 1.7340868817	-0.9841520317	 2.4447090854	 0.102885
+H	 3.4370266349	-1.3361402479	 2.0078848958	 0.087715
+H	 3.1892846566	 2.1781846915	 0.9188730071	 0.29197
+H	 3.0655537511	 1.3995912096	-2.0076557242	 0.292188
+H	 2.8352001868	-1.6110218095	-1.7218330847	 0.088821
+H	 4.0826698948	-1.7060139253	-0.4370455191	 0.092009
+19
+0 2199	1.9207676	1.8098515	1.6845489	1.3065	75.52	-0.22491	0.05958	0.28449	996.5313	0.155676	-422.507778	-422.49896	-422.498015	-422.540435	34.014
+C	-0.0678923616	-0.3003820819	 0.2656123723	-0.515927
+C	 1.418803974	-0.1782618628	 0.1213784178	 0.21608
+C	 2.3675207147	-0.9854574855	-0.7635969613	-0.2778
+C	 3.4426292026	 0.0853813536	-0.4302823741	-0.137093
+C	 3.7229113334	-0.1141872491	 1.0895592813	-0.294019
+C	 2.2965449376	 0.3796270106	 1.3023162661	 0.257909
+O	 1.7216305066	 0.8383249714	 2.4705404139	-0.465767
+C	 2.2497185819	 1.0739163236	-0.0322665063	 0.293598
+O	 1.8627816679	 2.322384245	-0.438804969	-0.455906
+H	-0.4577394825	 0.4715661016	 0.9357779624	 0.131329
+H	-0.5716842978	-0.1892713907	-0.7008045483	 0.123721
+H	-0.3525716687	-1.2779414	 0.6748337822	 0.109819
+H	 2.5964011379	-2.021125394	-0.4829816014	 0.081138
+H	 2.0593535522	-0.9515430523	-1.8133738306	 0.099022
+H	 4.2581510626	 0.3019410238	-1.1162651702	 0.073455
+H	 3.9915793015	-1.1269343536	 1.4134037827	 0.083535
+H	 4.4531836734	 0.6040992143	 1.4744779127	 0.096413
+H	 1.3628976375	 0.0870680671	 2.9566320895	 0.286713
+H	 2.3419727467	 2.979482999	 0.0790830705	 0.29378
+19
+0 2200	1.8605371	1.8216617	1.6934196	2.5296	75.58	-0.2224	0.06057	0.28297	1008.9277	0.154947	-422.498983	-422.490034	-422.48909	-422.531939	33.911
+C	-1.1444693912	 0.7436971207	 2.3030288168	-0.510606
+C	 0.2210149846	 0.966557775	 1.7250469606	 0.15533
+C	 0.9198030397	 2.2968589434	 1.4320793689	-0.279189
+C	 2.1903012088	 1.4539863872	 1.170932618	-0.007736
+O	 1.8614889215	 0.7142710366	-0.0338689579	-0.319733
+C	 0.9372178024	-0.0429496353	 0.75348842	 0.372767
+C	 0.3447504039	-1.2819655953	 0.1754473778	-0.512102
+C	 1.5563377866	 0.2931752652	 2.0624042185	 0.220904
+O	 1.985489262	-0.51390203	 3.0820476438	-0.449125
+H	-1.2826196669	 1.3107699931	 3.2314652828	 0.115609
+H	-1.9300013359	 1.0590143922	 1.6064857167	 0.126756
+H	-1.3147183437	-0.3121367466	 2.5382393989	 0.124177
+H	 0.5736863822	 2.9032658359	 0.5887835826	 0.098225
+H	 1.0053053017	 2.9107585774	 2.3344664178	 0.090773
+H	 3.1982193476	 1.8637263368	 1.1739976764	 0.08538
+H	-0.2899476415	-1.7854973388	 0.9090941997	 0.130211
+H	-0.265588142	-1.0478139559	-0.7033337965	 0.13073
+H	 1.132191172	-1.9783359399	-0.1286799861	 0.136602
+H	 1.8831636982	-0.0429303617	 3.9174766813	 0.291028
+19
+0 2201	1.8479351	1.8153317	1.7296217	2.6653	75.52	-0.21653	0.06307	0.2796	1006.2558	0.155031	-422.502369	-422.493466	-422.492522	-422.535258	33.824
+C	-1.042084111	 2.2706344935	-0.0669038275	-0.510662
+C	 0.2087545386	 1.8084529009	 0.5964480966	 0.385496
+O	 0.3476746305	 1.9254173188	 2.0185217737	-0.328199
+C	 1.5323504406	 1.0916996754	 1.8858579553	 0.01634
+C	 2.5639401812	 2.0237795343	 1.1944187171	-0.304296
+C	 1.6227824889	 1.911740895	-0.0026846911	 0.247241
+O	 1.7794897354	 2.3807559428	-1.2895335458	-0.459667
+C	 1.0507937938	 0.5657243368	 0.478714182	 0.148844
+C	 0.8734195067	-0.7776505662	-0.1482919749	-0.537903
+H	-1.9105701571	 1.7006472694	 0.2773120114	 0.124983
+H	-1.2172347597	 3.329552355	 0.1516014502	 0.135295
+H	-0.9507822528	 2.1613833546	-1.1506783695	 0.137102
+H	 1.7677013657	 0.5098195203	 2.774550047	 0.085951
+H	 2.7318385821	 2.9994936256	 1.6611163204	 0.102429
+H	 3.5140493225	 1.5105916751	 1.0132628195	 0.090914
+H	 2.5291102864	 1.9288948441	-1.6932739539	 0.287949
+H	 0.1453255347	-1.388656075	 0.3971232386	 0.13059
+H	 0.5127154087	-0.6718214851	-1.177432404	 0.128567
+H	 1.8156148347	-1.3377327352	-0.186191255	 0.119024
+19
+0 2202	2.4467996	1.9329033	1.4990869	0.6269	73.46	-0.21589	0.07236	0.28825	958.9995	0.158063	-422.562267	-422.554559	-422.553615	-422.59377	31.117
+C	 0.0781522768	 0.0419891119	 0.762346345	-0.499819
+C	 1.4504582883	 0.0772984331	 0.1512999717	 0.249213
+C	 2.3114597352	 1.3350077018	 0.0554276175	-0.275392
+C	 3.5384144159	 0.6379310953	-0.5742175806	 0.051772
+C	 2.9323245102	-0.0494231627	-1.8164241563	-0.296865
+C	 1.8540933643	-0.7984757473	-1.0368816134	 0.309396
+O	 0.9205096234	-1.6393812129	-1.6234393262	-0.474805
+C	 2.4800331145	-1.0311607499	 0.3243206801	-0.034631
+O	 3.7773665427	-0.4637236941	 0.3252819197	-0.262708
+H	 0.106448541	 0.3327044341	 1.8184824215	 0.115845
+H	-0.6049883004	 0.7249538982	 0.2447885599	 0.119633
+H	-0.3520819728	-0.9609669906	 0.6937854079	 0.12863
+H	 1.8851853535	 2.1066263346	-0.5928910798	 0.099093
+H	 2.5394401781	 1.7677866829	 1.0341156868	 0.102882
+H	 4.4527017189	 1.2138935375	-0.7004134931	 0.081651
+H	 2.5296736111	 0.6594415123	-2.5449402531	 0.104865
+H	 3.6453727444	-0.7189706288	-2.3082265213	 0.095713
+H	 1.3651862607	-2.4566308511	-1.8748033638	 0.285245
+H	 2.3525382439	-1.9129439343	 0.9376577273	 0.100282
+19
+0 2203	2.3820324	2.0165247	1.5143404	1.9352	73.41	-0.23082	0.08532	0.31614	962.5252	0.157649	-422.561991	-422.554227	-422.553283	-422.59368	30.738
+C	 2.1303359591	-1.5944766283	-1.0848544258	-0.501667
+C	 2.2582103878	-0.4221533508	-0.1533570399	 0.180645
+C	 3.403543676	-0.2496815773	 0.8391506606	-0.287939
+C	 2.8942206686	 1.1033608413	 1.372340916	 0.143165
+O	 2.7638373221	 1.8924643317	 0.1933450828	-0.255303
+C	 1.90552186	 1.0213843142	-0.5213301388	-0.04396
+C	 1.0847058949	 0.2978428074	 0.5247073335	 0.378038
+C	-0.3660364541	-0.0562292409	 0.4924051479	-0.504888
+O	 1.5586683748	 0.8163733094	 1.7632246817	-0.284191
+H	 2.0473315976	-2.5376481439	-0.5328210208	 0.123085
+H	 1.2440255677	-1.5081200691	-1.7220048528	 0.118069
+H	 3.0012696845	-1.6705615964	-1.7457991848	 0.124169
+H	 3.4244226971	-1.0166297644	 1.6172085916	 0.108062
+H	 4.3830958773	-0.1645069518	 0.3622201357	 0.10859
+H	 3.4318094555	 1.6381968371	 2.1504984066	 0.0968
+H	 1.5714849437	 1.383949657	-1.4833608686	 0.106498
+H	-0.5931065059	-0.8536257401	 1.2076389361	 0.130313
+H	-0.9792937481	 0.8145100752	 0.7446290887	 0.136379
+H	-0.6565062786	-0.40052387	-0.5037381296	 0.124136
+19
+0 2204	2.3367717	2.0693997	1.547257	1.7484	73.73	-0.23049	0.08914	0.31962999999999997	956.3405	0.157546	-422.566617	-422.55885	-422.557906	-422.598298	30.801
+C	-0.1633664107	 0.0158932093	 0.0569337778	-0.503716
+C	 1.1588784515	 0.4106787339	 0.6276717094	 0.3771
+O	 1.1592361217	 0.716781977	 2.0176541481	-0.286427
+C	 2.5481068048	 0.9741140884	 2.172350212	 0.140113
+C	 2.8233743148	 2.0812966228	 1.1317479438	-0.241599
+C	 2.2452253254	 1.2755667094	-0.0201714777	-0.256842
+C	 2.5257403353	-0.1827741925	 0.3572534991	 0.376982
+C	 2.8944945993	-1.3116246999	-0.5480919912	-0.50371
+O	 3.1896058612	-0.1652705836	 1.6161112654	-0.286419
+H	-0.5756839765	-0.8442134612	 0.5939508603	 0.134299
+H	-0.8818637308	 0.8391585475	 0.1260732273	 0.131366
+H	-0.060582367	-0.2548197868	-0.9975895913	 0.12296
+H	 2.8142519039	 1.1112137135	 3.2169450547	 0.095527
+H	 2.2708901184	 2.9976212643	 1.351097803	 0.109994
+H	 3.8899296099	 2.2940757912	 1.0307188302	 0.110018
+H	 2.1926684666	 1.6210364316	-1.0436043797	 0.091734
+H	 2.7186143612	-2.274409746	-0.0579024553	 0.134296
+H	 2.2984769324	-1.2789049386	-1.4643681988	 0.122961
+H	 3.9511332885	-1.2590370004	-0.8301099872	 0.131364
+19
+0 2205	2.3888858	1.9806882	1.5304853	0.6494	73.64	-0.21548	0.07054	0.28602	953.3206	0.158053	-422.56624	-422.558555	-422.557611	-422.597723	31.098
+C	-0.0136201242	 0.0334625408	-0.0276432485	-0.510211
+C	 1.4617728054	-0.090888076	 0.1655346795	 0.38362
+O	 2.1441544994	-0.9514480444	-0.7384873453	-0.295614
+C	 3.4900715153	-0.7941696795	-0.2519223107	 0.05073
+C	 3.3493400667	-1.1157076752	 1.2557437566	-0.228284
+C	 2.2052471419	-0.1401348589	 1.4946690219	-0.192583
+C	 2.4144486165	 1.0291871304	 0.5379659818	 0.31877
+O	 2.0042138457	 2.3018149395	 0.9079770052	-0.476247
+C	 3.686001938	 0.7376646366	-0.2537451204	-0.297893
+H	-0.409212899	 0.8048878052	 0.6388288099	 0.130645
+H	-0.2468685247	 0.3163831344	-1.0599066415	 0.123251
+H	-0.5279494259	-0.908275646	 0.1887826457	 0.128583
+H	 4.1697489186	-1.3997977967	-0.8477670602	 0.080657
+H	 3.0682940357	-2.158279241	 1.427969285	 0.10528
+H	 4.2550087239	-0.8833626344	 1.823142761	 0.101218
+H	 1.6979682463	-0.0089986668	 2.440922525	 0.094211
+H	 1.7266214226	 2.7713740148	 0.112991207	 0.284356
+H	 3.6645362554	 1.1551567656	-1.2657210885	 0.094672
+H	 4.5997225023	 1.0549470914	 0.2560617464	 0.10484
+19
+0 2206	2.4769985	1.8979109	1.5195594	1.6728	73.36	-0.2169	0.05911	0.27601000000000003	948.2726	0.158892	-422.571387	-422.563901	-422.562957	-422.602558	31.035
+O	-1.4800744847	-1.1895757915	-0.3983753749	-0.495576
+C	-1.8370297587	-0.1094246118	 0.3934045295	 0.38776
+C	-2.4772160749	-0.3090003463	 1.7543229349	-0.273249
+C	-2.5453729804	 1.1954266426	 2.1345858594	-0.051355
+C	-3.2701166799	 1.8075621135	 0.9047196908	-0.218886
+C	-2.3429374152	 1.2256428868	-0.1551252097	-0.183171
+C	-0.967787784	 1.1270739252	 0.4869203918	 0.328253
+O	 0.1638397889	 1.2369113324	-0.3201887458	-0.48939
+C	-1.0827718674	 1.66523833	 1.9055418074	-0.297182
+H	-0.7313057835	-0.8993035008	-0.9363258367	 0.278551
+H	-3.4655531448	-0.777827963	 1.704823271	 0.100276
+H	-1.8458616188	-0.8922314657	 2.4332254167	 0.093324
+H	-2.9719461077	 1.4218218596	 3.1110813	 0.06758
+H	-4.3026056274	 1.4557291147	 0.8089486347	 0.097525
+H	-3.2764427564	 2.9027336349	 0.9239596699	 0.095319
+H	-2.4450851425	 1.3904283717	-1.2198381599	 0.089253
+H	 0.8999640897	 0.8247032938	 0.1477692225	 0.285012
+H	-0.3773306284	 1.19519712	 2.6016639312	 0.086177
+H	-0.968063784	 2.752522364	 1.9680745471	 0.09978
+19
+0 2207	2.8715082	1.7355602	1.5703617	1.3989	73.57	-0.21729	0.08483	0.30212	950.3798	0.159067	-422.549376	-422.542061	-422.541117	-422.580714	29.248
+C	-0.0573362071	-1.1704033029	-0.0441421437	-0.494803
+C	 1.4223866404	-0.8972093319	-0.1131199	 0.234034
+C	 2.4210088194	-1.8390098312	 0.5507935348	-0.276973
+C	 3.7026272663	-0.9816698357	 0.5194268532	 0.019076
+C	 4.2809064182	-0.9605699349	-0.8932673735	-0.056709
+O	 3.2620397452	-0.6483578758	-1.8457928959	-0.276071
+C	 2.0691952372	-0.1704547027	-1.2822968578	 0.041033
+C	 2.0574221858	 0.4747628513	 0.0801933149	 0.012545
+O	 3.2552942129	 0.3502490975	 0.8125595547	-0.262431
+H	-0.3956708053	-1.2611065726	 0.995190443	 0.118366
+H	-0.6323627227	-0.3629293268	-0.5093663787	 0.116767
+H	-0.3184363143	-2.0999474184	-0.5634555312	 0.121477
+H	 2.1143145504	-2.0616387348	 1.5782946701	 0.104554
+H	 2.5518613538	-2.7829419311	 0.0121673626	 0.108304
+H	 4.4599666419	-1.2564334462	 1.2560672646	 0.08707
+H	 5.0760444829	-0.2047005933	-0.9434814783	 0.104946
+H	 4.7067200718	-1.9353232817	-1.1645622763	 0.098881
+H	 1.4251286432	 0.2312625848	-2.0577614303	 0.100315
+H	 1.5157373302	 1.3862556566	 0.3052798877	 0.099618
+19
+0 2208	2.9263095	1.7105517	1.5705984	2.2873	73.33	-0.23	0.08685	0.31685	949.7976	0.15934	-422.562783	-422.555514	-422.55457	-422.594113	29.096
+C	 0.1348337491	-0.220915052	-0.3527357358	-0.494266
+C	 1.5791508014	 0.0275273878	-0.0045292027	 0.274635
+C	 2.332940029	-0.9224126079	 0.9172567559	-0.304748
+C	 3.5896155223	-0.0854089231	 1.2204847708	 0.169552
+O	 3.1115728474	 1.2444718853	 1.3737409113	-0.254084
+C	 2.1392625975	 1.382445771	 0.3575445161	 0.064076
+C	 2.5218581616	 0.7561679432	-0.9586245211	-0.164808
+C	 3.9521078808	 0.2627953711	-1.0962149043	-0.089618
+O	 4.5057715843	-0.162117423	 0.1549172934	-0.26533
+H	-0.4717368821	-0.3486886151	 0.5515449029	 0.120043
+H	-0.2866466366	 0.6145715008	-0.9214334973	 0.116237
+H	 0.0178793385	-1.1248477637	-0.961981667	 0.12047
+H	 1.7544143914	-1.1130502572	 1.8280957983	 0.104598
+H	 2.604107353	-1.8793294754	 0.4634796647	 0.109683
+H	 4.1411520312	-0.358448419	 2.1199760009	 0.093265
+H	 1.5595535136	 2.2932168761	 0.442548607	 0.100239
+H	 2.0862534743	 1.1676875843	-1.8644411861	 0.087681
+H	 4.0061656937	-0.5743584961	-1.8069554445	 0.100916
+H	 4.5898488996	 1.0665367528	-1.4866891727	 0.111461
+19
+0 2209	2.8542575	1.7504789	1.6314234	2.1596	73.54	-0.22908	0.08306	0.31214	938.4301	0.159315	-422.566614	-422.559358	-422.558414	-422.597913	29.126
+C	-0.0153212987	-0.1429118567	-0.0287321276	-0.486724
+C	 1.4684167482	 0.0400668206	 0.0626290465	 0.456098
+O	 2.0581959573	-0.6940312349	 1.1264354129	-0.286755
+C	 3.3952283359	-0.2270986549	 1.2019048001	 0.165525
+C	 3.294437667	 1.2965038902	 0.9876060319	-0.254692
+C	 2.2321572414	 1.3346991393	-0.0962132143	-0.160701
+C	 2.3881420786	 0.2132316001	-1.118629891	-0.152196
+C	 3.688441024	-0.5730827775	-1.1243749385	-0.088298
+O	 4.1840841073	-0.818748445	 0.1968373113	-0.265286
+H	-0.4993897528	 0.1573352986	 0.9062418819	 0.127775
+H	-0.4253820261	 0.4625441895	-0.8417763812	 0.11883
+H	-0.2676698547	-1.1908201828	-0.2208772288	 0.130627
+H	 3.8196021359	-0.5482994883	 2.1532268201	 0.091502
+H	 2.9491272507	 1.8015852128	 1.8955562117	 0.107294
+H	 4.263233171	 1.7108089386	 0.6976827445	 0.110979
+H	 1.7435108823	 2.2624937839	-0.3685529728	 0.086963
+H	 1.9360966602	 0.3608197063	-2.0947974569	 0.088393
+H	 3.5388600647	-1.5460674857	-1.6104560428	 0.109945
+H	 4.4600005878	-0.0362685142	-1.6950395072	 0.100724
+19
+0 2210	2.7881903	1.7726426	1.6409982	1.2138	73.76	-0.21632	0.08254	0.29886	937.9486	0.159069	-422.553365	-422.546082	-422.545137	-422.584642	29.264
+C	 0.0587044912	-0.2504387218	-0.0778444552	-0.484633
+C	 1.5220174528	 0.0419177533	 0.0550095323	 0.404563
+O	 2.1101702789	-0.5587603733	 1.1942137059	-0.295492
+C	 3.4310497617	-0.0084872213	 1.259276099	 0.019959
+C	 3.2501391344	 1.4862245435	 0.9154622247	-0.23135
+C	 2.2027729502	 1.3863051405	-0.1814012027	-0.195389
+C	 2.4689854379	 0.209265221	-1.1061986482	 0.049392
+O	 3.7344416177	-0.3975180559	-1.1182096303	-0.278156
+C	 4.2588008196	-0.6964518685	 0.1771338464	-0.056269
+H	-0.4899421781	 0.1164260901	 0.7961513832	 0.126032
+H	-0.3490114858	 0.2349091629	-0.9688967332	 0.119815
+H	-0.1161636924	-1.3277655989	-0.1641151307	 0.130574
+H	 3.834771406	-0.2059139028	 2.254321237	 0.085529
+H	 2.8699647985	 2.0492849598	 1.7731431477	 0.107102
+H	 4.189496743	 1.9406904419	 0.5860943234	 0.109712
+H	 1.6696325862	 2.2660752324	-0.5235695958	 0.084952
+H	 2.0601582047	 0.2326962336	-2.11070653	 0.101384
+H	 4.2337636961	-1.7820459504	 0.3425530083	 0.103472
+H	 5.3042511374	-0.3627041659	 0.2019683683	 0.098803
+19
+0 2211	2.8344545	1.7646698	1.6078324	1.4662	73.22	-0.21959	0.08617	0.30576000000000003	945.8421	0.159151	-422.561697	-422.554352	-422.553408	-422.593165	29.263
+C	 0.0043396886	 0.1113099268	 0.1628684339	-0.483718
+C	 1.3442054641	-0.4648331964	-0.1765060622	 0.400772
+O	 2.0493583822	-0.9615356593	 0.9502476725	-0.299371
+C	 3.3826735483	-1.1359733133	 0.4893621268	 0.164932
+C	 3.494779614	-2.4647198195	-0.2538227933	-0.219899
+C	 2.4772574771	-2.4737289002	-1.4295956666	-0.227712
+C	 1.6919265357	-1.1702342277	-1.4796679661	-0.163106
+C	 2.3989488512	 0.1134855836	-1.0738276556	 0.005781
+O	 3.6345026195	-0.0648386576	-0.4157518622	-0.268371
+H	 0.1026797668	 0.8832972134	 0.9325996049	 0.131333
+H	-0.4522066804	 0.5601114758	-0.7237685106	 0.120183
+H	-0.6731981956	-0.6629450081	 0.5381857392	 0.128196
+H	 4.0653732088	-1.0490651914	 1.3378682834	 0.0908
+H	 4.5214665849	-2.5795549735	-0.6134576638	 0.107196
+H	 3.2974991295	-3.2775695865	 0.451267556	 0.106413
+H	 2.9969399812	-2.6193149011	-2.3821603105	 0.108799
+H	 1.7815092195	-3.3125615785	-1.3258986508	 0.108097
+H	 0.9597363851	-1.0787685559	-2.2771816863	 0.084558
+H	 2.3365317996	 1.0452303893	-1.6213161887	 0.105117
+19
+0 2212	2.8110751	1.7031367	1.5711272	1.8551	73.62	-0.23443	0.07631	0.31074	942.121	0.159604	-422.566334	-422.559131	-422.558186	-422.597465	29.528
+O	-0.7901737427	 0.6386574653	 0.4705160235	-0.480887
+C	-2.0257981145	 0.0482905791	 0.2222536664	 0.407085
+C	-2.2903322963	-1.3906645195	 0.6376289225	-0.300145
+C	-3.7892857074	-1.5286235614	 0.3039615544	 0.093331
+C	-4.4044718312	-0.1934002012	 0.7822945729	-0.235115
+C	-3.3485124174	 0.8010299252	 0.3259638582	-0.142381
+C	-2.7426044546	 0.4582858436	-1.0268983325	-0.102249
+C	-3.4161195984	-0.6031107817	-1.8776731752	-0.094976
+O	-3.9635971003	-1.6728539014	-1.1028251587	-0.278683
+H	-0.6670989056	 0.6824624813	 1.4258396469	 0.277851
+H	-1.6884363463	-2.1255448401	 0.0953515473	 0.109537
+H	-2.1099440439	-1.5200625359	 1.7135400127	 0.085025
+H	-4.2566629151	-2.4105645878	 0.7452856505	 0.079493
+H	-5.3923669799	-0.0418794323	 0.3360287982	 0.104949
+H	-4.517348874	-0.1784749849	 1.8732085256	 0.093565
+H	-3.3717594704	 1.838025878	 0.6400490138	 0.082771
+H	-2.2930171534	 1.2796363614	-1.5753238101	 0.097048
+H	-4.228352063	-0.1522725232	-2.4660186835	 0.100359
+H	-2.6974085853	-1.0293011542	-2.5919218828	 0.103423
+19
+0 2213	2.7733188	1.7242323	1.5715508	1.2298	73.26	-0.21467	0.07968	0.29435	942.6293	0.159724	-422.562314	-422.555101	-422.554156	-422.593509	29.445
+O	-0.7508340366	 0.3390236535	-0.0691404636	-0.4737
+C	-2.065237081	-0.0810308762	 0.1278167135	 0.34717
+C	-2.3527171731	-1.3398382978	 0.9320579853	-0.286071
+C	-3.8392778812	-1.5895147966	 0.5940460989	-0.079384
+C	-3.9110354426	-1.3030116984	-0.9250817254	-0.22178
+C	-3.042767945	-0.0600054117	-1.0410122634	-0.135504
+C	-3.2099245271	 0.8968961693	 0.1210710726	 0.045504
+O	-4.2883735371	 0.7886653404	 1.0135970076	-0.275021
+C	-4.6900463436	-0.5472615937	 1.3265455952	-0.053618
+H	-0.4464560416	 0.7588224312	 0.7432093039	 0.281424
+H	-1.7116718078	-2.1563433913	 0.580922979	 0.103752
+H	-2.1864997729	-1.2138793932	 2.0087638761	 0.090512
+H	-4.1816621553	-2.591905704	 0.863123558	 0.073506
+H	-3.4861380885	-2.1288706503	-1.5066535449	 0.100406
+H	-4.9407347044	-1.146965262	-1.2653251094	 0.10017
+H	-2.7426961484	 0.3299303572	-2.0068664162	 0.090247
+H	-2.9723313969	 1.9407517346	-0.0518826945	 0.102486
+H	-4.6099224424	-0.683497281	 2.4144595936	 0.093716
+H	-5.7483869945	-0.6593038298	 1.0528378937	 0.096185
+19
+0 2214	2.8036683	1.7167467	1.5482626	0.8428	72.83	-0.21267	0.07668	0.28935	948.7941	0.159742	-422.564399	-422.557176	-422.556232	-422.595594	29.538
+O	 0.1256303891	 0.1136293497	 0.303785311	-0.476338
+C	-0.971739441	 0.9549146002	 0.1456831742	 0.350353
+C	-1.1555813155	 2.1714123905	 1.0425863542	-0.302749
+C	-2.5991283507	 2.5780599637	 0.6825142629	 0.065198
+C	-2.6315035839	 3.3370303781	-0.648569579	-0.203666
+C	-1.9057406184	 2.5099657076	-1.7484648619	-0.23177
+C	-1.5432311356	 1.120040848	-1.2444822166	-0.113063
+C	-2.3765756522	 0.4871452553	-0.1432809932	 0.012454
+O	-3.3016878471	 1.3316395553	 0.5002980489	-0.268128
+H	 0.0515510822	-0.3146463776	 1.1647874106	 0.279473
+H	-1.0710284778	 1.8753409348	 2.0953154164	 0.092728
+H	-0.4399193689	 2.9763993626	 0.8508551186	 0.106423
+H	-3.1130453104	 3.1265280573	 1.4744127409	 0.079898
+H	-3.678866801	 3.5010969294	-0.916954998	 0.108053
+H	-2.1698119492	 4.3227768477	-0.5265924397	 0.095273
+H	-2.5425701435	 2.421568073	-2.634496386	 0.107464
+H	-0.9945244271	 3.0215620439	-2.0780397644	 0.105677
+H	-1.1411470701	 0.4236828826	-1.9740416214	 0.092836
+H	-2.6863813388	-0.550150972	-0.1773987375	 0.099888
+19
+0 2215	2.1297222	1.9994461	1.7512216	2.4703	74.25	-0.23577	0.06415	0.29992	932.8766	0.157236	-422.527614	-422.519878	-422.518934	-422.559109	31.31
+C	 0.0217559719	-0.075796597	-0.0275943219	-0.521332
+C	 1.5148450185	-0.0228480317	 0.1608150543	 0.249344
+C	 2.2809270511	 1.1481442433	 0.8013221828	-0.298034
+C	 3.5088390018	 0.4230055206	 0.2132711812	 0.04539
+O	 3.5685003898	-0.7741096205	 1.0037378657	-0.268658
+C	 2.3268708834	-1.3365086507	 0.5522206642	 0.037341
+C	 2.6198220317	-1.6099157993	-0.9445927292	-0.322525
+C	 2.6116263384	-0.0771693943	-0.9927784497	 0.352013
+O	 2.6509990807	 0.7193730777	-2.1249493626	-0.481786
+H	-0.4963396481	-0.1030056618	 0.9382297362	 0.126961
+H	-0.3397065233	 0.8066188732	-0.5677772333	 0.120002
+H	-0.292186446	-0.9635690393	-0.5889315578	 0.114532
+H	 2.0579711037	 2.0803841054	 0.2754889334	 0.107186
+H	 2.2634009517	 1.2916717668	 1.8847296168	 0.095413
+H	 4.491404754	 0.8732557948	 0.0847007144	 0.082342
+H	 1.9527671067	-2.0937069118	 1.2386326442	 0.079715
+H	 3.5321520389	-2.1644620633	-1.1763902239	 0.104499
+H	 1.7600683044	-2.0308506736	-1.4753266942	 0.092541
+H	 1.9428843508	 0.4464806114	-2.7180059404	 0.285057
+19
+0 2216	2.1351439	2.0138443	1.7481931	0.5145	73.98	-0.23433	0.07576	0.31009	933.5761	0.157403	-422.535321	-422.527615	-422.526671	-422.566813	31.213
+C	-0.080722182	 0.012758502	 0.1408679488	-0.513141
+C	 1.4103049642	-0.0140004904	 0.015401901	 0.384444
+O	 2.1453042159	 0.856742285	 0.8961931104	-0.338785
+C	 3.2823715681	 0.5795291288	 0.0247456466	-0.020858
+C	 3.5908285353	-0.8825703358	 0.3865454661	-0.207768
+C	 2.2347627141	-1.3898030254	-0.1452706377	-0.128799
+C	 2.357713078	-1.0783323359	-1.6651525938	-0.294053
+C	 2.2947786738	 0.3751357285	-1.2071553486	 0.376674
+O	 2.0598535083	 1.3975731892	-2.107955993	-0.485247
+H	-0.3890717477	-0.3134054077	 1.1399496394	 0.132325
+H	-0.4685090674	 1.0229015706	-0.0238761382	 0.123972
+H	-0.5409141915	-0.6568867285	-0.5918386432	 0.127949
+H	 4.0603333	 1.342565523	 0.0544111791	 0.076102
+H	 4.4420259252	-1.3174703553	-0.1444696817	 0.097336
+H	 3.731402871	-0.9901551456	 1.4642497109	 0.106312
+H	 1.843079253	-2.3402954851	 0.2101598523	 0.070633
+H	 3.2464585008	-1.4410914757	-2.1886164259	 0.097295
+H	 1.4589680908	-1.3397478835	-2.2301401589	 0.10709
+H	 1.94887507	 2.2154459917	-1.6085990035	 0.288518
+19
+0 2217	2.1318223	2.0603224	1.728887	0.2655	74.26	-0.23879	0.08436	0.32315	942.0129	0.156501	-422.530262	-422.522387	-422.521443	-422.562005	31.226
+C	 0.3406117492	-0.3325519186	 0.1094448463	-0.524032
+C	 1.2733710332	 0.7855158324	 0.4522493946	 0.37817
+O	 2.0284639947	 0.6682943176	 1.6643079815	-0.330625
+C	 2.3501198417	 2.0786432688	 1.4817868202	-0.004768
+C	 3.3113523944	 2.0188436278	 0.2830842164	-0.216211
+C	 2.2013928312	 1.4993100469	-0.6456277078	-0.004771
+O	 1.2878962824	 2.6354953965	-0.6671407398	-0.330624
+C	 0.9718174948	 2.2805120994	 0.6845530055	 0.37817
+C	-0.2266883582	 2.9254976727	 1.3052038911	-0.524032
+H	-0.3566246906	-0.5251393482	 0.9301466147	 0.130932
+H	-0.2323577949	-0.0774443427	-0.787039381	 0.135793
+H	 0.8975936536	-1.2542201017	-0.0894170955	 0.133005
+H	 2.619217449	 2.5947845367	 2.4015679245	 0.080752
+H	 3.6896926436	 2.9827985268	-0.0625470302	 0.10888
+H	 4.1285168902	 1.3202502403	 0.4728757041	 0.10888
+H	 2.4270434625	 1.0929877978	-1.6299023518	 0.080752
+H	-0.4032185785	 2.5037855301	 2.2992142169	 0.135795
+H	-0.0739225899	 4.004627427	 1.4119191103	 0.133
+H	-1.1180524982	 2.7657470904	 0.6914220499	 0.130935
+19
+0 2218	2.104814	1.9884314	1.7499396	0.7301	73.92	-0.21685	0.06577	0.28262	929.4198	0.157614	-422.537002	-422.529157	-422.528212	-422.568633	31.696
+O	-1.6242419181	 0.8316681244	 1.3901658713	-0.481843
+C	-0.2450915066	 0.8108304981	 1.533931451	 0.368807
+C	 0.3618288219	 0.6463169039	 2.9222444136	-0.297653
+C	 1.6702313529	 1.1102673534	 2.2157613796	-0.118947
+C	 1.9630153691	-0.0978027686	 1.3012255005	-0.201379
+C	 0.6842862515	 0.0760522488	 0.4549747325	-0.118937
+C	 0.9438064322	 1.4624084594	-0.2060207405	-0.29765
+C	 0.7719149345	 1.982887882	 1.2160929457	 0.368807
+O	 0.5837881774	 3.3404307092	 1.4278545841	-0.481844
+H	-1.8414018935	 1.0341715839	 0.4736132993	 0.284382
+H	-0.0453469081	 1.3957845889	 3.6089500836	 0.090464
+H	 0.3597017917	-0.3336707501	 3.4090037008	 0.09466
+H	 2.4883822341	 1.5629352451	 2.7742652025	 0.066174
+H	 2.8731148949	-0.0004525226	 0.7018863534	 0.094648
+H	 2.0111505862	-1.0378043654	 1.8589327602	 0.094639
+H	 0.3120499868	-0.7687897161	-0.1228550746	 0.066176
+H	 1.890658685	 1.6115359804	-0.7337963313	 0.094657
+H	 0.1161510931	 1.7988598205	-0.8391448246	 0.090457
+H	 0.4006254551	 3.4901535545	 2.3618080529	 0.284381
+19
+0 2219	2.6085347	1.9992274	1.7829836	2.2346	72.91	-0.24664	0.08657	0.33321	890.108	0.159447	-422.567026	-422.560197	-422.559252	-422.597669	28.542
+C	-0.1263401532	 0.6591490169	-0.7666954013	-0.505807
+C	 1.3805289337	 0.6677195421	-0.8802099693	 0.277623
+C	 2.2410000908	 1.2919174391	 0.2128592522	-0.297412
+C	 3.5312875458	 0.9509669061	-0.5355620793	 0.180214
+O	 3.3610775271	 1.5901545296	-1.7943435623	-0.279446
+C	 2.0495009202	 1.1770190785	-2.2181380693	 0.062593
+C	 2.1162014499	-0.2832351349	-2.721448608	-0.249421
+C	 2.1347706301	-0.6769599112	-1.2265399643	 0.06258
+O	 3.4553524756	-0.4596744017	-0.6979960976	-0.279443
+H	-0.4487408963	 0.1206942567	 0.1311480742	 0.123363
+H	-0.5204874611	 1.6792822974	-0.7036244385	 0.123362
+H	-0.5980291652	 0.1756963072	-1.6288008085	 0.120039
+H	 2.092131105	 2.3677694132	 0.3300889428	 0.106745
+H	 2.164950783	 0.7841157396	 1.1770777008	 0.106744
+H	 4.5007392023	 1.2180730354	-0.1195216055	 0.091484
+H	 1.60070816	 1.966227924	-2.8241692064	 0.073968
+H	 1.1936984449	-0.5928091162	-3.2209394866	 0.099054
+H	 2.987226217	-0.5614285797	-3.3164728094	 0.109789
+H	 1.7669556604	-1.6483526021	-0.8909128437	 0.07397
+19
+0 2220	2.5314517	2.0416153	1.8093685	1.7717	72.85	-0.25084	0.08575	0.33659	888.8357	0.159553	-422.574352	-422.567526	-422.566582	-422.605018	28.457
+C	-0.1168828276	-0.1240711523	-0.124327022	-0.507699
+C	 1.3582223637	-0.0380453906	 0.1447757309	 0.432064
+O	 1.90823032	-1.2524787208	 0.624899704	-0.276252
+C	 3.2513353839	-0.8134708404	 0.6891504023	 0.163408
+C	 3.1718180887	 0.3874836285	 1.6525675576	-0.237672
+C	 1.9768417308	 1.1349189322	 1.0161307298	-0.120148
+C	 2.4165652142	 1.829345714	-0.2981715795	-0.251306
+C	 2.3749741942	 0.4379830946	-0.9627851823	 0.038625
+O	 3.5356414154	-0.3308284877	-0.6224652461	-0.278798
+H	-0.6654587075	-0.3424007707	 0.7971077364	 0.13055
+H	-0.4914239931	 0.8211105738	-0.5282909254	 0.123638
+H	-0.3301758716	-0.9167733249	-0.8478080571	 0.133474
+H	 3.9257537899	-1.6329780612	 0.9333029921	 0.090063
+H	 2.9467946996	 0.0391838318	 2.664353677	 0.106532
+H	 4.0917389377	 0.9763145879	 1.6716312082	 0.106183
+H	 1.3446669666	 1.6747224889	 1.7214355948	 0.068268
+H	 1.644025775	 2.492693477	-0.6994398725	 0.099557
+H	 3.3800808339	 2.3442028039	-0.3056328406	 0.103249
+H	 2.1728869863	 0.327527756	-2.0295339076	 0.076263
+19
+0 2221	2.5043927	2.0278537	1.802176	0.4954	73.	-0.24126	0.08242	0.32367999999999997	892.9695	0.159484	-422.573207	-422.566364	-422.56542	-422.603891	28.505
+C	-0.0476466139	 0.0939869605	-0.0831724153	-0.512149
+C	 1.3771470261	 0.3064047821	 0.3421944568	 0.412518
+O	 2.1579546321	 0.96931386	-0.6328824174	-0.292061
+C	 3.4070862041	 1.001830852	 0.0796241077	 0.045175
+C	 3.6396552725	-0.499383813	 0.3789826667	-0.229039
+C	 2.2469020112	-0.8652428467	 0.9174653549	 0.030544
+O	 2.0843931856	-0.3620976429	 2.2641176499	-0.307442
+C	 1.7348265998	 0.937385199	 1.7329306703	 0.03052
+C	 3.0067473893	 1.7286101257	 1.3868632566	-0.229038
+H	-0.6031064996	-0.4196078141	 0.7065370035	 0.132753
+H	-0.5371233684	 1.0513148864	-0.2868456175	 0.128526
+H	-0.0933179797	-0.5134591233	-0.9922802074	 0.128501
+H	 4.1635219154	 1.4931382553	-0.5314358314	 0.078771
+H	 3.8626078672	-1.0326085716	-0.5500699709	 0.10508
+H	 4.4228405832	-0.70038319	 1.1130944568	 0.109294
+H	 1.9449546281	-1.9098781272	 0.8199170489	 0.076839
+H	 0.9895601743	 1.4534259923	 2.3413952205	 0.076838
+H	 2.7802454993	 2.7775954044	 1.1735535976	 0.105079
+H	 3.7495386334	 1.6698057208	 2.1853008298	 0.109293
+19
+0 2222	2.535627	1.9866886	1.7764561	2.458	73.06	-0.23476	0.07167	0.30643	887.571	0.159807	-422.566693	-422.55989	-422.558946	-422.597214	28.917
+O	 0.4516093306	 0.1975987973	 0.7026081928	-0.504924
+C	-0.8002028537	 0.727628914	 1.0149082586	 0.412899
+C	-1.1380083518	 2.1872610782	 0.7176538604	-0.305453
+C	-2.6099591439	 2.0052898209	 1.1164622243	 0.090403
+C	-2.5002349709	 1.5030073418	 2.5738090481	-0.229425
+C	-1.4601495655	 0.3653670172	 2.4162059882	-0.109348
+C	-2.1168914653	-0.8605093776	 1.7317323484	-0.243003
+C	-1.9947545075	-0.0787069944	 0.4057901291	 0.086027
+O	-3.0307660645	 0.9048542503	 0.2885334675	-0.285743
+H	 1.1070533824	 0.6106400792	 1.2746974512	 0.279694
+H	-0.6015132934	 2.9028580428	 1.3488225695	 0.089361
+H	-1.0121922871	 2.4471597291	-0.3360848291	 0.109065
+H	-3.2902125651	 2.8396757279	 0.946479949	 0.07634
+H	-2.1349906512	 2.3037673611	 3.225939273	 0.093898
+H	-3.4579054626	 1.1514971354	 2.9674213184	 0.103209
+H	-0.8153729119	 0.2062173921	 3.2828132771	 0.057945
+H	-1.4561967036	-1.7314772957	 1.7358577044	 0.10632
+H	-3.1232874882	-1.1491657149	 2.0452747707	 0.094756
+H	-1.8833754668	-0.6069464248	-0.5428169714	 0.077978
+19
+0 2223	2.4978959	1.9852694	1.7595465	0.7548	72.68	-0.23909	0.07976	0.31884999999999997	892.6378	0.160036	-422.572735	-422.566027	-422.565083	-422.603178	28.685
+O	 0.5875814628	 0.5806443768	 0.750178472	-0.509073
+C	-0.7289556032	 0.8761637303	 1.0887301162	 0.43837
+C	-1.3020578162	 2.1479487536	 0.479424293	-0.272368
+C	-2.6928238181	 2.0033169061	 1.139448801	-0.040902
+C	-2.3025826815	 1.9010612023	 2.6383913008	-0.226396
+C	-1.1877545274	 0.8409138462	 2.5887736379	 0.02121
+O	-1.767718894	-0.4766033641	 2.4056328402	-0.308917
+C	-1.8411545955	-0.2250616853	 0.9783693467	 0.021206
+C	-3.1073801519	 0.5880923545	 0.6548344936	-0.226396
+H	 0.83362694	-0.2393976435	 1.1930501236	 0.286814
+H	-0.7590698454	 3.0444684566	 0.7932120027	 0.101469
+H	-1.3299291346	 2.1131494989	-0.6137629356	 0.101469
+H	-3.413775602	 2.7895471346	 0.9115369351	 0.064498
+H	-1.9160633843	 2.8604973919	 3.0005389372	 0.096885
+H	-3.1193751845	 1.5863770255	 3.2933900641	 0.10536
+H	-0.4552620633	 0.8658901511	 3.3995989982	 0.072264
+H	-1.6780209114	-1.1289484004	 0.3859298097	 0.072263
+H	-3.3051471748	 0.5943064269	-0.4230875854	 0.096885
+H	-3.9825480648	 0.1781741181	 1.1659580591	 0.105359
+19
+0 2224	2.7282105	1.9472516	1.8109062	2.1186	72.83	-0.25191	0.09446	0.34637	885.6057	0.160101	-422.566749	-422.560167	-422.559222	-422.59721	27.946
+C	 0.0500484236	-0.2070577653	-0.527861481	-0.505292
+C	 1.4389016171	 0.2215524145	-0.1400795839	 0.38237
+C	 2.0651844888	 1.5240412204	-0.6825322958	-0.236499
+C	 3.4367136533	 1.2073177766	-0.044889087	-0.11368
+C	 3.8036428418	-0.0237952775	-0.9085089435	-0.209341
+C	 2.6668624634	-0.8530026116	-0.289356735	-0.000291
+O	 3.1653435561	-0.9097592899	 1.0565390605	-0.244934
+C	 2.9505033571	 0.4678649482	 1.3144742273	 0.171182
+O	 1.5405268234	 0.542870349	 1.2647506254	-0.27236
+H	-0.2458579773	-1.1032730789	 0.0250983127	 0.134229
+H	-0.6736229545	 0.5843229239	-0.309499954	 0.130084
+H	 0.0020403969	-0.4281690885	-1.5986077474	 0.119508
+H	 2.1204704054	 1.6142890953	-1.7698502847	 0.092967
+H	 1.5407467353	 2.3860806247	-0.2676570261	 0.103851
+H	 4.1648576691	 2.0073816931	 0.0706539351	 0.071682
+H	 3.7289696586	 0.1796108922	-1.9788016638	 0.094942
+H	 4.7664363767	-0.4856400346	-0.6865170649	 0.107353
+H	 2.4271204053	-1.8461377276	-0.6641510923	 0.080393
+H	 3.3497672199	 0.7745413361	 2.2781124186	 0.093833
+19
+0 2225	2.7193846	1.9579737	1.814451	0.2689	73.17	-0.23283	0.09351	0.32634	883.3316	0.159812	-422.563281	-422.556664	-422.555719	-422.593756	28.115
+C	 0.2096093903	-0.2363415306	-0.8565860742	-0.501775
+C	 1.5271036828	 0.0197931653	-0.1757383587	 0.377161
+C	 2.6792296248	-1.0066169097	-0.2422295284	-0.227767
+C	 3.6323086291	-0.0106406133	 0.4342993379	 0.032951
+O	 3.6850123239	 0.9771017462	-0.6099751512	-0.267624
+C	 2.317411925	 1.4009687156	-0.4894101936	 0.007833
+C	 2.4008937635	 2.0531781722	 0.9010299433	-0.203837
+C	 2.667547716	 0.6748779866	 1.5310265812	 0.045364
+O	 1.3955606084	 0.0674305415	 1.263429947	-0.298594
+H	-0.2376010683	-1.1657096715	-0.491149515	 0.130799
+H	-0.4954689265	 0.5779494802	-0.6630361246	 0.126026
+H	 0.3496473973	-0.3234045919	-1.9380941781	 0.124012
+H	 2.4149293622	-1.8995527102	 0.326151379	 0.102245
+H	 3.0487950951	-1.2637528935	-1.235961437	 0.102496
+H	 4.631077264	-0.3148875778	 0.7396372637	 0.081779
+H	 2.005068078	 1.9797118287	-1.3564852688	 0.078479
+H	 3.2168237627	 2.7765792849	 0.9293275019	 0.104491
+H	 1.4802143555	 2.4768012619	 1.3040101115	 0.104437
+H	 2.9358319662	 0.5871845152	 2.5816316043	 0.081525
+19
+0 2226	2.6869716	1.9359995	1.7988252	2.2544	72.64	-0.25341	0.09002	0.34343	889.0474	0.160111	-422.562602	-422.556006	-422.555061	-422.593088	27.935
+C	 2.5011475991	-1.1311248574	-1.8960330797	-0.507645
+C	 2.2993003492	 0.0785416262	-1.0097005814	 0.261101
+C	 0.867629806	 0.6360918529	-0.7825975702	-0.242496
+C	 1.3064757721	 1.4321406331	 0.4557672861	 0.033062
+O	 1.6485799354	 0.3212978353	 1.3009305399	-0.243035
+C	 2.7834472098	-0.0535089229	 0.5413572439	 0.133889
+O	 3.6337635533	 1.0605631941	 0.744232581	-0.243031
+C	 2.7846951967	 1.9826071892	 0.041228181	 0.033066
+C	 2.9833322488	 1.423939831	-1.3759112404	-0.242502
+H	 1.9564633074	-2.0004208119	-1.5113311332	 0.120745
+H	 2.1435998305	-0.9414097808	-2.9140705043	 0.119059
+H	 3.5606818229	-1.4017281039	-1.9631418698	 0.120744
+H	 0.5078965964	 1.2188792763	-1.6336947506	 0.094189
+H	 0.1192706518	-0.1071676346	-0.5027515215	 0.104707
+H	 0.6231977639	 2.1144050813	 0.9561144514	 0.084055
+H	 3.2274609823	-0.9834621899	 0.8897941302	 0.091144
+H	 3.037118372	 3.0133214404	 0.2791603332	 0.084053
+H	 2.465966169	 1.9480531618	-2.1827896275	 0.094189
+H	 4.0481754433	 1.3558626696	-1.6045262982	 0.104705
+19
+0 2227	2.7291524	1.9909889	1.8264128	1.9066	72.9	-0.25048	0.09307	0.34354999999999997	879.7674	0.159904	-422.569419	-422.562804	-422.56186	-422.599924	28.049
+C	-0.0696682685	-0.0564674627	 0.1771599497	-0.504337
+C	 1.3730692201	 0.0547657485	-0.2143637169	 0.484131
+O	 1.5627409458	 0.2765127781	-1.6086838679	-0.270445
+C	 2.9902317117	 0.161018393	-1.5702592412	 0.037803
+C	 3.0799649291	-1.343884922	-1.2625808197	-0.207317
+C	 2.4230836321	-1.1460608248	 0.1236282265	-0.137239
+C	 3.5614769158	-0.3434332319	 0.7959764775	-0.207317
+C	 3.325803977	 0.8582479322	-0.1356203183	 0.037802
+O	 2.0129000234	 1.2118230493	 0.3158372626	-0.270446
+H	-0.1582465273	-0.1648374941	 1.2607440514	 0.130957
+H	-0.6078268473	 0.8425105841	-0.1339817995	 0.142089
+H	-0.5242845982	-0.9255905896	-0.3041854856	 0.130954
+H	 3.4472094755	 0.576568841	-2.4656931468	 0.081661
+H	 2.4900049117	-1.9060764558	-1.987413696	 0.106082
+H	 4.0841054205	-1.7686497365	-1.1949320194	 0.094057
+H	 2.0099254461	-2.0102862001	 0.6402796726	 0.069767
+H	 3.3832148281	-0.0502302859	 1.831229873	 0.106081
+H	 4.5307950406	-0.8405493376	 0.714750795	 0.094057
+H	 3.9953566138	 1.715472145	-0.1222545472	 0.081661
+19
+0 2228	2.6460537	1.9239226	1.8002154	2.3839	72.69	-0.23936	0.07093	0.31029	882.0804	0.160676	-422.561727	-422.555201	-422.554257	-422.592067	28.195
+O	 1.2284191821	 0.84038899	 1.6245036856	-0.507829
+C	 0.9005371925	 0.6499248649	 0.2793295322	 0.399809
+C	 1.2936103091	-0.6686371065	-0.4402956528	-0.27758
+C	 1.1297505986	-0.0483242847	-1.847949624	-0.070204
+C	 2.2927099259	 0.9685825552	-1.7642360149	-0.20236
+C	 1.5646457952	 1.7714800921	-0.6726616649	 0.039451
+O	 0.4619096334	 2.235031126	-1.4703669423	-0.2628
+C	-0.1399634349	 0.9406381324	-1.6457448144	 0.068881
+C	-0.5767937863	 0.7136584157	-0.1892400821	-0.268925
+H	 0.801484553	 0.1502509218	 2.142848664	 0.278143
+H	 2.3159156489	-0.9999730803	-0.2459629816	 0.097607
+H	 0.6088063877	-1.4883733111	-0.2061424673	 0.083844
+H	 1.0831157626	-0.7178707095	-2.704866266	 0.068227
+H	 3.2347071071	 0.4967497337	-1.476892956	 0.094981
+H	 2.4445923903	 1.5909088214	-2.6469813794	 0.103597
+H	 2.0593913366	 2.5937298303	-0.1599595396	 0.085147
+H	-0.8871110699	 0.9637418457	-2.4368840829	 0.078574
+H	-1.1397641779	 1.5739336531	 0.1743908965	 0.108244
+H	-1.1199440139	-0.2116337002	 0.02127781	 0.083194
+19
+0 2229	2.376419	2.1841972	1.6912683	2.0062	73.45	-0.22587	0.08562	0.31149	901.8867	0.159028	-422.547597	-422.540551	-422.539607	-422.578559	28.798
+C	-0.1351551026	 0.0944449218	-0.1299818037	-0.5125
+C	 1.3512296098	-0.0476177729	 0.0954472672	 0.266322
+C	 2.1911284387	-1.2726361054	-0.3565867614	-0.301277
+C	 3.3650375034	-0.3115424639	-0.0807232476	 0.042378
+O	 3.3022622078	-0.155857827	 1.3471158876	-0.283417
+C	 1.9422652347	 0.3193186186	 1.4915448806	 0.022532
+C	 2.0568586708	 1.8413654372	 1.4427595135	-0.080188
+O	 2.5345894482	 2.0825904778	 0.1054905184	-0.281263
+C	 2.4344951551	 0.8536032313	-0.5737346449	 0.098722
+H	-0.698285747	-0.6255070959	 0.4750141888	 0.12128
+H	-0.4879162757	 1.0976027006	 0.1311536704	 0.127639
+H	-0.3905313492	-0.0818586944	-1.1797761685	 0.121775
+H	 2.1614092968	-2.1831602402	 0.2447005719	 0.105609
+H	 2.040356608	-1.4980838001	-1.415482112	 0.100686
+H	 4.3925374142	-0.4748001593	-0.4004226585	 0.081447
+H	 1.4717695211	-0.1058275635	 2.3797765918	 0.078207
+H	 1.1014149786	 2.3615861723	 1.6049512136	 0.090262
+H	 2.7922619953	 2.2056796336	 2.165871505	 0.115282
+H	 2.3810438521	 1.0099446591	-1.6508360421	 0.086505
+19
+0 2230	2.3820331	2.2054027	1.6911131	2.5428	73.23	-0.2421	0.09076	0.33286	899.3986	0.159343	-422.556472	-422.549489	-422.548545	-422.587351	28.655
+C	-0.1542145704	-0.0066450641	 0.0344176933	-0.512492
+C	 1.3534500971	-0.0386939855	 0.0927665633	 0.27826
+C	 2.2284893488	-1.2814658196	-0.219347235	-0.289256
+C	 3.3400963595	-0.2148390659	-0.2569241431	 0.075467
+O	 3.4083576751	 0.1994541495	 1.1245703101	-0.285499
+C	 2.0489467598	 0.6176157577	 1.3186083172	 0.176459
+O	 1.9566155368	 2.0044686109	 1.1127326344	-0.256855
+C	 2.3609152114	 2.1975062794	-0.2594718795	-0.112976
+C	 2.2990628306	 0.790077757	-0.8517116914	-0.108443
+H	-0.5906427596	-0.6907449665	 0.7713074949	 0.12119
+H	-0.5294219947	 0.9990670907	 0.2484928454	 0.133107
+H	-0.5206744207	-0.3050022207	-0.9531699936	 0.116664
+H	 2.3249326011	-2.0640149272	 0.537211782	 0.100893
+H	 1.9948112469	-1.7097112118	-1.1976989795	 0.098873
+H	 4.3418478299	-0.3729034215	-0.6533414311	 0.08076
+H	 1.7072292047	 0.3869645262	 2.3274041259	 0.086961
+H	 1.6645921793	 2.8950543806	-0.7367533777	 0.106695
+H	 3.3691673355	 2.6272396188	-0.2948891144	 0.109867
+H	 2.115113729	 0.705954562	-1.9221101711	 0.080324
+19
+0 2231	2.4297855	2.1052458	1.6851609	1.2124	72.99	-0.24139	0.08536	0.32675	905.4906	0.159093	-422.552526	-422.545466	-422.544522	-422.583518	28.834
+C	 0.0192167219	-0.038308036	-0.0691921214	-0.512016
+C	 1.5178293308	 0.0394755433	-0.0447561059	 0.417599
+O	 2.1959403979	-1.1404135491	 0.4573633189	-0.338651
+C	 3.3893574427	-0.5667296309	-0.1499073833	 0.030889
+C	 3.6468386786	 0.6365765618	 0.7751052483	-0.218922
+C	 2.2427919721	 1.2860561527	 0.5988292053	-0.124065
+C	 2.3276302854	 2.2309900167	-0.6012007436	-0.086683
+O	 2.7254614136	 1.3679119889	-1.6893890746	-0.281088
+C	 2.4695145646	 0.0543160998	-1.2591538556	 0.066733
+H	-0.3744560327	-0.1412370481	 0.9477017668	 0.131167
+H	-0.4082182665	 0.8680448067	-0.5089912005	 0.127557
+H	-0.3174083005	-0.8981529959	-0.6549392058	 0.130923
+H	 4.1828178379	-1.2894680907	-0.3375675687	 0.076687
+H	 3.8411950836	 0.2940905334	 1.7932503302	 0.108041
+H	 4.4614151872	 1.2873723569	 0.4468492811	 0.103797
+H	 1.7860289221	 1.7122017631	 1.491811732	 0.072068
+H	 1.3655528968	 2.7087498165	-0.8390088062	 0.094725
+H	 3.0807051426	 3.0161663034	-0.4813716262	 0.109877
+H	 2.2379237417	-0.6017845326	-2.0972699408	 0.091362
+19
+0 2232	2.4282171	2.1125944	1.6799889	1.0484	73.07	-0.22907	0.09171	0.32078	905.4219	0.159133	-422.550664	-422.543636	-422.542692	-422.581588	28.831
+C	-0.1551423174	-0.0442796753	-0.0381590707	-0.517523
+C	 1.3377964797	 0.0501053715	 0.0594181331	 0.444151
+O	 2.0139572263	-1.0644021905	 0.7002278762	-0.338715
+C	 3.2163522514	-0.5077984076	 0.0880190999	 0.054756
+C	 3.4048830868	 0.7570596325	 0.9491115481	-0.238651
+C	 2.0063930315	 1.3512170723	 0.636278887	 0.040605
+O	 2.0908219229	 2.2303082275	-0.4830021138	-0.274718
+C	 2.5552033147	 1.4262723497	-1.5852275177	-0.118246
+C	 2.3500950792	-0.0067841544	-1.1139107857	-0.111675
+H	-0.59784463	-0.1155061177	 0.9611035431	 0.131181
+H	-0.5531431148	 0.8510482084	-0.525353628	 0.135527
+H	-0.4617284702	-0.9239748358	-0.6110835205	 0.125869
+H	 4.0331484571	-1.2212362461	-0.0177127646	 0.079187
+H	 3.5435216562	 0.4791449465	 1.9958237465	 0.109894
+H	 4.2061895304	 1.4314456396	 0.637533235	 0.106228
+H	 1.4922244116	 1.8724084757	 1.442803336	 0.079356
+H	 1.9534800019	 1.6667055157	-2.4686342786	 0.109373
+H	 3.6041783369	 1.6595073772	-1.8161560131	 0.099207
+H	 2.1576598859	-0.7635289493	-1.872668242	 0.084192
+19
+0 2233	2.3654129	2.1590999	1.6824249	1.1294	73.	-0.22855	0.0639	0.29245	896.9723	0.159655	-422.560495	-422.553481	-422.552537	-422.591375	29.017
+O	 0.1509587394	 0.1913787765	 0.864768768	-0.496355
+C	-0.7226130785	 1.2589128786	 0.6821964771	 0.413339
+C	-2.0182258561	 1.0375141216	-0.1102025008	-0.291278
+C	-2.4412787236	 2.3729765774	 0.5640849505	-0.081598
+C	-1.4748464089	 3.368158919	-0.1114092747	-0.21333
+C	-0.1409997967	 2.6527525891	 0.2599503689	-0.119661
+C	 0.2924399283	 3.2110180215	 1.6188388852	-0.097505
+O	-0.8173106544	 2.8984188776	 2.4790114656	-0.284766
+C	-1.5773522927	 1.914596414	 1.7985596219	 0.073583
+H	 0.8687243258	 0.469516011	 1.4438719276	 0.283549
+H	-1.9685349426	 1.0115291566	-1.2012703185	 0.097801
+H	-2.5663487025	 0.1698019315	 0.2642772795	 0.106788
+H	-3.487830725	 2.6553375095	 0.6615798257	 0.068003
+H	-1.6439024522	 3.4260075935	-1.1901277435	 0.097463
+H	-1.5297832307	 4.3791134927	 0.3017493796	 0.102233
+H	 0.6353652403	 2.6357946549	-0.5055075379	 0.071703
+H	 1.2151110228	 2.7414440093	 2.0014278941	 0.076439
+H	 0.446318053	 4.2951234453	 1.6131393366	 0.108214
+H	-2.0771592157	 1.2557205005	 2.5080975653	 0.085377
+19
+0 2234	2.3590129	2.1761728	1.6830353	1.1598	73.04	-0.23124	0.08243	0.31367	895.6089	0.160028	-422.560869	-422.554053	-422.553109	-422.591474	28.773
+O	 0.2357253448	-0.1165382881	 0.3358291242	-0.496563
+C	-0.8979047836	 0.569526371	 0.7498838074	 0.439532
+C	-1.6238826896	 1.5343552882	-0.1969322712	-0.285655
+C	-2.7754489486	 1.3728320197	 0.8398158172	-0.052937
+C	-2.1640906036	 2.0862000795	 2.0674358394	-0.239714
+C	-0.876867069	 1.2268756641	 2.1574177708	 0.029521
+O	-1.0858425971	 0.1222147405	 3.0470128746	-0.285646
+C	-2.1829610408	-0.624734204	 2.4793440156	-0.13004
+C	-2.2798346931	-0.1067278622	 1.0468405228	-0.097459
+H	 0.5955065653	-0.5696524677	 1.1080591689	 0.285861
+H	-1.2073026268	 2.5335651341	-0.3548072243	 0.092694
+H	-1.8449351997	 1.0614007037	-1.1566033231	 0.106267
+H	-3.808319702	 1.5941967201	 0.5765143635	 0.06776
+H	-1.9683189075	 3.1439398569	 1.8689514262	 0.098952
+H	-2.7501268943	 2.0092668234	 2.9868530834	 0.106187
+H	 0.0422818171	 1.7311126985	 2.4566979338	 0.077689
+H	-1.9374361735	-1.691678328	 2.5259824541	 0.105084
+H	-3.0982819382	-0.461864462	 3.064396011	 0.09914
+H	-2.6295169898	-0.8100008077	 0.2921821958	 0.079327
+19
+0 2235	2.3619502	2.152044	1.696623	2.252	73.29	-0.23392	0.07014	0.30406	898.4662	0.159569	-422.560339	-422.553354	-422.552409	-422.591129	29.164
+O	 0.4070960802	 0.4035151031	 0.8874515455	-0.48925
+C	-0.6327076856	 1.3071085344	 0.7057868644	 0.373839
+C	-1.9369216849	 1.044779993	-0.0888133142	-0.311057
+C	-2.3152013484	 2.3806548796	 0.5896543717	 0.086127
+O	-1.4354351434	 3.320186706	-0.0530601971	-0.291254
+C	-0.1536764528	 2.7003937464	 0.2210666313	 0.077509
+C	 0.4093786305	 3.3778587469	 1.4701794498	-0.217481
+C	-0.6803082482	 3.0441086074	 2.5345633159	-0.236292
+C	-1.4993202557	 1.9420777961	 1.8512236867	-0.102106
+H	 0.0552424374	-0.3891109092	 1.3045997707	 0.283024
+H	-1.9051263397	 1.0316862279	-1.18027416	 0.103195
+H	-2.4941912932	 0.1888584925	 0.302405084	 0.089899
+H	-3.3292089825	 2.7732682518	 0.6322644089	 0.080878
+H	 0.4777659465	 2.7137185065	-0.6692397604	 0.075248
+H	 1.3780009473	 2.9411865119	 1.734534935	 0.106981
+H	 0.5441530021	 4.450581401	 1.3144404243	 0.10172
+H	-0.24169171	 2.6923336235	 3.4723333995	 0.09871
+H	-1.2974136802	 3.9156049302	 2.7711105756	 0.107073
+H	-2.0306120295	 1.2383043407	 2.4940933284	 0.063238
+19
+0 2236	3.312129	1.7006844	1.3861277	1.9575	74.21	-0.24242	0.07411	0.31653	975.6384	0.157927	-422.538756	-422.531319	-422.530375	-422.570379	29.463
+C	 0.0421935097	-0.0453148793	 0.0338303963	-0.482813
+C	 1.5412314825	-0.0166873079	-0.0797379258	 0.450886
+C	 2.2365402249	 0.3454217076	-1.4140303842	-0.288057
+C	 3.3629438108	-0.6885516159	-1.090349991	 0.11135
+O	 4.5737810908	-0.1327292439	-0.6016329458	-0.272787
+C	 4.5309669996	-0.0031795493	 0.8201149777	-0.090879
+C	 3.1197150819	-0.3687699998	 1.2587584607	 0.096724
+O	 2.1655959936	 0.6968292505	 1.0264041589	-0.349658
+C	 2.5302707472	-1.20755092	 0.1149202314	-0.1985
+H	-0.268859829	-0.463466472	 0.995857263	 0.123071
+H	-0.3587393974	 0.9720847042	-0.038702118	 0.131165
+H	-0.4000501603	-0.6430024572	-0.7695539894	 0.116361
+H	 1.6455024996	 0.0365088457	-2.2822745831	 0.0963
+H	 2.5512288136	 1.3845522244	-1.5290983029	 0.109855
+H	 3.6052945956	-1.3879871727	-1.8931226647	 0.082148
+H	 5.2682469566	-0.6813241222	 1.2744602809	 0.094397
+H	 4.7783541741	 1.0257748254	 1.1054065343	 0.114943
+H	 3.0624388859	-0.7416397689	 2.2861189381	 0.079817
+H	 2.2777953203	-2.2582814288	 0.2341339736	 0.075677
+19
+0 2237	3.2224118	1.6699926	1.3538196	1.2576	73.92	-0.23939	0.0728	0.31218999999999997	975.6747	0.158645	-422.543113	-422.535827	-422.534883	-422.574479	29.592
+O	 0.0269822039	-0.0078223625	 0.6678984942	-0.481106
+C	-0.7744980724	 1.1306189157	 0.7345946939	 0.431306
+C	-1.8488791948	 1.1527430644	-0.3761651502	-0.280501
+C	-2.9592896715	 1.5172569338	 0.6603795094	-0.03389
+C	-3.4059392026	 2.9727553156	 0.678272044	-0.083128
+O	-2.285759803	 3.7283329674	 1.1380834146	-0.274129
+C	-1.3948090737	 2.8928351045	 1.8676908037	 0.113694
+C	-0.1284431731	 2.4971809675	 1.0529798297	-0.314991
+C	-1.9123240948	 1.4280317873	 1.8006949442	-0.166256
+H	 0.6898311277	 0.0419262995	 1.3648970856	 0.276167
+H	-1.6898486433	 1.8539126726	-1.2007577859	 0.099257
+H	-1.9808407284	 0.1474829946	-0.7814551505	 0.114612
+H	-3.7951553874	 0.8174761379	 0.6947776058	 0.075787
+H	-3.6892472911	 3.3546991685	-0.3091941963	 0.105116
+H	-4.2636417996	 3.1078369682	 1.3565229978	 0.088347
+H	-1.2114944004	 3.3300330189	 2.8528329738	 0.077043
+H	 0.1502996664	 3.15540141	 0.2257031713	 0.105201
+H	 0.7351160848	 2.3662978859	 1.71676994	 0.084313
+H	-2.1026586768	 0.8681486502	 2.7145950949	 0.063157
+19
+0 2238	2.5655929	1.9060745	1.3381478	1.2086	74.48	-0.23435	0.06611	0.30046	992.9169	0.157082	-422.53199	-422.524002	-422.523058	-422.563776	31.758
+C	-0.079300388	 0.0937287817	 0.1814685956	-0.501209
+C	 1.416290738	 0.1155292257	 0.0625128693	 0.291112
+C	 2.2454267206	 1.260109528	-0.5309958885	-0.304153
+C	 3.4617978507	 0.7548386486	 0.3081732067	 0.082086
+O	 4.3012883707	-0.1138060888	-0.4516739097	-0.265135
+C	 3.4904530302	-1.2187875828	-0.8488171106	-0.150556
+C	 2.2500776219	-1.1545470528	 0.0467016408	 0.327029
+O	 1.5467688196	-2.3272395479	 0.2977634823	-0.474739
+C	 2.5002604631	-0.1304239623	 1.1258401558	-0.219496
+H	-0.4432244977	 0.9887940927	 0.6983728248	 0.113375
+H	-0.5486900238	 0.068922751	-0.8092807547	 0.12057
+H	-0.416399833	-0.7884955621	 0.7302122861	 0.135503
+H	 2.3880365743	 1.311107083	-1.6160808731	 0.09481
+H	 1.8816883009	 2.2263769584	-0.1676929061	 0.100263
+H	 4.0912879687	 1.494383565	 0.7998024101	 0.084876
+H	 3.2471952333	-1.1606495228	-1.918604645	 0.101525
+H	 4.0423938503	-2.1527871753	-0.6772596921	 0.091454
+H	 2.1036798395	-2.9044921881	 0.8324227491	 0.286791
+H	 2.4423762706	-0.3139482113	 2.1909772392	 0.085894
+19
+0 2239	2.5345455	1.9243992	1.3408186	1.7755	74.41	-0.23622	0.06955	0.30577	989.3667	0.157224	-422.535257	-422.527291	-422.526347	-422.567045	31.672
+C	 0.0169668251	 0.3335893521	-0.1289719394	-0.48963
+C	 1.5262475575	 0.3261335464	-0.1349064789	 0.260443
+C	 2.2669319066	 1.6094300548	-0.5153218875	-0.146682
+O	 3.5291427224	 1.5514536394	 0.1545224425	-0.263542
+C	 3.700196725	 0.2065551586	 0.5785692834	 0.083237
+C	 3.729398348	-0.7777413388	-0.6396804922	-0.322657
+C	 2.2345757595	-0.9856197563	-0.4111402483	 0.343078
+O	 1.4942674087	-2.0573343173	-0.8691296149	-0.459175
+C	 2.3108157319	-0.3373197043	 0.9777863501	-0.223135
+H	-0.3658068346	 1.1072732199	 0.5455847922	 0.11605
+H	-0.378017351	 0.5364454819	-1.1307664778	 0.123624
+H	-0.3808100381	-0.6328678034	 0.186669814	 0.133004
+H	 2.4127172578	 1.703388845	-1.6007693456	 0.096592
+H	 1.7256750348	 2.4979696183	-0.1670286987	 0.100314
+H	 4.5290832468	 0.1657416543	 1.2829294585	 0.084705
+H	 4.0790105921	-0.374033412	-1.5958206403	 0.100078
+H	 4.2908187056	-1.6880857008	-0.4004705088	 0.089742
+H	 1.9221359819	-2.8683977142	-0.5722186579	 0.285451
+H	 1.9208850999	-0.6079062837	 1.9500467698	 0.088501
+19
+0 2240	2.4993833	1.9593543	1.3641744	2.3973	74.49	-0.21935	0.07022	0.28957	989.5491	0.156914	-422.534579	-422.526549	-422.525605	-422.566417	31.909
+C	-0.0428209523	 0.1620948821	 0.0682550477	-0.502736
+C	 1.4418541557	 0.0287404985	 0.0541398213	 0.446276
+O	 2.2193063204	 1.1069027964	-0.4809562669	-0.344902
+C	 3.3554687426	 0.6850093821	 0.3480540303	 0.084271
+C	 4.3065845741	-0.1107638704	-0.545458476	-0.210077
+C	 3.4128569614	-1.2773770997	-1.0475740269	-0.28086
+C	 2.2146077699	-1.2691317381	-0.0929188323	 0.327627
+O	 1.4520308952	-2.4205006362	 0.077209637	-0.479938
+C	 2.4755163168	-0.3357078501	 1.0898326432	-0.29787
+H	-0.3543735624	 1.0199031171	 0.6720350486	 0.123352
+H	-0.4180821426	 0.3068799036	-0.9510081808	 0.130371
+H	-0.4929768208	-0.7472772602	 0.4720632307	 0.141171
+H	 3.7856154129	 1.5265253449	 0.8942733185	 0.079254
+H	 4.7007493882	 0.5047929177	-1.3583487617	 0.109095
+H	 5.1542577014	-0.478340339	 0.0446153955	 0.095717
+H	 3.0989549192	-1.1342646915	-2.0852685797	 0.115283
+H	 3.9255437171	-2.2438525551	-0.9918440036	 0.088243
+H	 1.9896888365	-3.074312058	 0.5387731369	 0.282257
+H	 2.4095449268	-0.5730987542	 2.143272068	 0.093466
+19
+0 2241	2.4280583	2.0561213	1.3770587	2.0162	75.01	-0.20987	0.08189	0.29176	989.738	0.156224	-422.523102	-422.514985	-422.514041	-422.555138	31.623
+C	-0.8622665553	 1.0549862962	 1.9919204312	-0.505109
+C	 0.4875793188	 0.4181079029	 1.989894536	 0.402688
+O	 1.5502065046	 1.1516718664	 2.6147693018	-0.335746
+C	 2.2608230817	-0.1007572371	 2.8582361586	 0.053861
+C	 3.2509985284	-0.2600484104	 1.7156777837	-0.08372
+O	 2.4200641688	-0.2857472745	 0.550857067	-0.303863
+C	 1.0910857092	-0.5475947788	 0.9673305019	 0.39256
+C	 0.2673727916	-1.2083554715	-0.0991026097	-0.482917
+C	 1.0356576212	-0.9306497589	 2.4241747578	-0.301242
+H	-1.1836783005	 1.2766665317	 3.0147341046	 0.130521
+H	-0.8353882563	 1.9961233263	 1.4315712112	 0.137127
+H	-1.6073209501	 0.4043454087	 1.5272292898	 0.125586
+H	 2.6531369868	-0.1723820816	 3.873446255	 0.086113
+H	 3.9331819821	 0.5925472372	 1.6453074251	 0.117319
+H	 3.8357388001	-1.1895854162	 1.8015740421	 0.089593
+H	-0.7476258232	-1.4099657209	 0.2526305293	 0.120634
+H	 0.2030760785	-0.5705585667	-0.9863223168	 0.13389
+H	 0.7228151916	-2.1584183523	-0.3959498569	 0.128326
+H	 0.6054373319	-1.8144336106	 2.8775733284	 0.094377
+19
+0 2242	2.4971599	1.9857175	1.3652289	2.6272	74.77	-0.2229	0.07245	0.29535	983.2254	0.157141	-422.535715	-422.527786	-422.526841	-422.56743	31.667
+C	 0.0358334915	 0.3034781912	 0.2602088394	-0.475491
+C	 1.5177234289	 0.1529695791	 0.072404963	 0.419938
+O	 2.1656272393	 1.3729067752	-0.2651719379	-0.307912
+C	 3.4955378931	 1.3108750044	 0.2582838654	-0.082746
+C	 3.7513737089	-0.1829466275	 0.4560034116	-0.077727
+C	 3.537626785	-0.9323809182	-0.902717304	-0.298847
+C	 2.0785533229	-1.1261490737	-0.5084646324	 0.320012
+O	 1.2237062132	-2.0808974719	-1.0211801687	-0.460036
+C	 2.3777267785	-0.7074213072	 0.9520672676	-0.252149
+H	-0.1780926462	 0.9875227285	 1.0868497966	 0.118822
+H	-0.4206807469	 0.7108145318	-0.6471885356	 0.132033
+H	-0.4255568425	-0.664610083	 0.4642900682	 0.130496
+H	 4.1745398539	 1.7757619936	-0.4646177474	 0.104184
+H	 3.5614850136	 1.8621083234	 1.2089896867	 0.089245
+H	 4.6471243184	-0.4318963312	 1.0232727649	 0.075462
+H	 3.752326956	-0.3811477995	-1.8248536568	 0.102339
+H	 4.0736395553	-1.8871859497	-0.9156676553	 0.090497
+H	 1.6184611306	-2.9494784837	-0.8812054138	 0.283543
+H	 2.1074824066	-1.1158183116	 1.9175189586	 0.088337
+19
+0 2243	2.5714159	1.9001153	1.3466707	2.3647	73.91	-0.22402	0.06106	0.28508	984.7374	0.157998	-422.543924	-422.536174	-422.53523	-422.575355	31.752
+O	-1.464982391	-1.1445908036	 1.8148660605	-0.473566
+C	-1.909791402	 0.0459610751	 1.2554732377	 0.30259
+C	-3.3221707058	 0.3721673193	 0.8028413938	-0.302227
+C	-2.9174365418	 1.8888746222	 0.8713329195	-0.046123
+C	-2.4313692269	 2.3953729045	-0.5005635529	-0.20533
+C	-1.2151843999	 1.4905709776	-0.8304333593	-0.287437
+C	-0.8648231825	 0.851675212	 0.5092662689	 0.432548
+O	 0.4471210166	 0.4346265764	 0.6900615976	-0.500091
+C	-1.6322508349	 1.4995265198	 1.6491378652	-0.250042
+H	-1.8055288721	-1.216545017	 2.7131233264	 0.29126
+H	-3.6685429049	-0.0215546025	-0.1598430209	 0.093181
+H	-4.0558399274	 0.1227076944	 1.5765928327	 0.092066
+H	-3.637067672	 2.5393276874	 1.3673155855	 0.070942
+H	-3.2166426	 2.3476419966	-1.2613450864	 0.095182
+H	-2.1176978221	 3.4413797095	-0.4171228951	 0.099431
+H	-1.4469843509	 0.7381537764	-1.5917467219	 0.099977
+H	-0.3567657298	 2.0623926775	-1.1941479189	 0.110003
+H	 0.406054528	-0.4253061066	 1.1302745084	 0.2886
+H	-1.1884854405	 1.946576941	 2.5287013692	 0.089036
+19
+0 2244	2.4194009	1.7156137	1.4705707	1.4253	74.65	-0.23489	0.07714	0.31203	998.2637	0.157161	-422.535452	-422.527298	-422.526354	-422.567567	31.777
+C	 0.3880468398	 0.3596832107	-1.1252080557	-0.524845
+C	 1.3540966917	 0.0685316755	-0.0185944151	 0.289087
+C	 1.3729505239	-1.1294960825	 0.9026485338	-0.207277
+C	 1.303691802	-0.6444525069	 2.3449289181	-0.103341
+O	 1.5021331745	 0.7728626292	 2.2742752198	-0.264814
+C	 2.0271490355	 1.0466736025	 0.9835905817	 0.031677
+C	 3.4013712774	 0.3352303285	 0.7357968954	-0.322201
+C	 2.6042036097	-0.7825884192	 0.0654478901	 0.33626
+O	 3.0733537014	-1.6281339504	-0.9232098343	-0.464927
+H	 0.1934309595	-0.5416290933	-1.7148094816	 0.129689
+H	-0.570134018	 0.7202237353	-0.7340089763	 0.124449
+H	 0.778225857	 1.1223569698	-1.8084499454	 0.121432
+H	 0.8359610139	-2.0208086942	 0.5982604978	 0.090884
+H	 0.3235581855	-0.8398380272	 2.7962971134	 0.104625
+H	 2.0698217907	-1.101145247	 2.9875624846	 0.092804
+H	 1.9758723167	 2.1205999697	 0.808120154	 0.084892
+H	 4.0090654761	 0.8720275325	 0.0016248755	 0.105825
+H	 4.0036925905	 0.113820356	 1.6238194768	 0.090653
+H	 3.5190740926	-2.3727916591	-0.5043372127	 0.285129
+19
+0 2245	2.3426436	1.7572189	1.4822289	2.9058	74.64	-0.22327	0.07104	0.29431	997.8654	0.157275	-422.532867	-422.524792	-422.523848	-422.564907	31.61
+C	-0.261550097	-0.1421303474	 0.2223396129	-0.525552
+C	 1.19314567	 0.0901847999	-0.0495831527	 0.208489
+C	 1.9986984218	 1.3300211464	 0.1906995233	 0.028207
+O	 2.6354206664	 1.820871925	-0.9722600828	-0.2717
+C	 2.4164649039	 0.8430605362	-1.9983516494	-0.078965
+C	 2.0635370537	-0.4327995728	-1.2333331749	-0.124623
+C	 3.2130238395	-0.7846108787	-0.2283512904	-0.29881
+C	 2.4773115109	 0.0439551796	 0.8157505423	 0.303714
+O	 2.6394383347	-0.0204914115	 2.1859023782	-0.460753
+H	-0.5443526964	 0.2759202299	 1.1940700591	 0.128548
+H	-0.8960420672	 0.3306774306	-0.5369155722	 0.124928
+H	-0.5059850496	-1.210999357	 0.2380164951	 0.114709
+H	 1.6448631028	 2.1055550601	 0.8603680141	 0.105641
+H	 1.5951074727	 1.1589595931	-2.6601510511	 0.089978
+H	 3.3323022746	 0.7566424341	-2.5925144267	 0.106177
+H	 1.6733366716	-1.247909269	-1.8425558612	 0.074117
+H	 3.2065289234	-1.8497272731	 0.0254386857	 0.090467
+H	 4.2303364802	-0.4814224607	-0.5000281561	 0.102584
+H	 2.481413164	-0.9286720048	 2.4687946968	 0.282844
+19
+0 2246	2.3903243	1.7364234	1.4798684	2.576	74.84	-0.22024	0.07	0.29024	1000.8617	0.157293	-422.530321	-422.522275	-422.52133	-422.562282	31.638
+C	 0.0405076519	 0.0702808682	-0.3005291978	-0.510364
+C	 1.4101093608	-0.1834877778	 0.2574156755	 0.216058
+C	 2.2133835697	-1.4814792869	 0.140881574	-0.276983
+C	 3.5317252465	-0.6764486423	 0.3847482882	-0.146582
+C	 3.8548468481	-0.6400768363	 1.8783436504	-0.082734
+O	 2.6583485624	-0.1209600625	 2.4802016559	-0.270322
+C	 1.9751507471	 0.5837535848	 1.4636159212	 0.019081
+C	 2.7143773027	 0.6376172412	 0.1859568695	 0.291959
+O	 3.0846322975	 1.804122303	-0.4477752175	-0.459113
+H	-0.2284470221	 1.1291459009	-0.2251764622	 0.124285
+H	-0.0193514774	-0.2125498939	-1.3585038419	 0.11253
+H	-0.7214400235	-0.5054049214	 0.2382795274	 0.126197
+H	 1.9927032687	-2.271370004	 0.8671643585	 0.099596
+H	 2.1640870723	-1.8965950887	-0.8701948426	 0.093528
+H	 4.3757936578	-0.8789665009	-0.2743345413	 0.072004
+H	 4.0526737211	-1.6259704062	 2.311584779	 0.105434
+H	 4.7097311042	 0.0209170606	 2.0894056336	 0.095428
+H	 1.4158785628	 1.4420149392	 1.817598687	 0.103703
+H	 3.1581199794	 1.6284294131	-1.3926738169	 0.286296
+19
+0 2247	2.4286307	1.7081118	1.4660873	2.2073	74.65	-0.22759	0.06948	0.29707	1003.357	0.15739	-422.532182	-422.524145	-422.523201	-422.564125	31.615
+C	 0.0114187327	 0.0616265858	-0.2389018251	-0.508384
+C	 1.4417876892	-0.1600904681	 0.1562352304	 0.245315
+C	 2.2595077271	-1.4349935768	-0.0779962431	-0.301235
+C	 3.5645977031	-0.5779762669	 0.0392797971	 0.012337
+O	 4.107010361	-0.6079038136	 1.3505504982	-0.26455
+C	 3.0938749545	-0.081988677	 2.2213363238	-0.107783
+C	 2.1071216835	 0.6294461629	 1.3020282757	-0.16574
+C	 2.6868519923	 0.6994082641	-0.0674502947	 0.328896
+O	 2.9198955845	 1.8864952981	-0.7276247177	-0.457439
+H	-0.2590634865	 1.1203785167	-0.1675211049	 0.124469
+H	-0.1675363427	-0.2603939691	-1.2717051647	 0.113872
+H	-0.6756737422	-0.5012712648	 0.4039070342	 0.123417
+H	 2.1721844119	-2.2560510811	 0.64142257	 0.097003
+H	 2.1091981324	-1.8257257077	-1.0901010088	 0.091923
+H	 4.3655855375	-0.7589615934	-0.6772457118	 0.081466
+H	 2.6315359526	-0.8956390098	 2.7974880923	 0.095519
+H	 3.5660137086	 0.6098632892	 2.9282936731	 0.108381
+H	 1.5511292271	 1.4868946152	 1.6631882123	 0.095182
+H	 2.9020571133	 1.7182297665	-1.6760667764	 0.287351
+19
+0 2248	2.3449007	1.7734496	1.4817119	0.8955	74.64	-0.2162	0.0699	0.2861	1002.2854	0.157158	-422.534267	-422.526169	-422.525225	-422.566309	31.793
+C	-0.065377939	-0.218225547	 0.0515774561	-0.506174
+C	 1.4106983929	-0.0063020585	 0.024124727	 0.37502
+O	 2.220339533	-0.9600649544	-0.6785232263	-0.341406
+C	 3.2770846959	 0.0440252145	-0.8434403829	 0.023816
+C	 4.3440561522	-0.2076450892	 0.2153284427	-0.213259
+C	 3.5410943917	-0.1026943074	 1.5449236505	-0.229924
+C	 2.2588675456	 0.6278946594	 1.1412317732	-0.161347
+C	 2.3371053353	 1.1382037173	-0.2722331751	 0.250624
+O	 2.2044897167	 2.4602773353	-0.6346907364	-0.453228
+H	-0.5620517296	 0.6345633212	 0.5233866672	 0.128705
+H	-0.4614297803	-0.3358449297	-0.9625239406	 0.125176
+H	-0.3209093265	-1.1184942493	 0.6214927198	 0.132938
+H	 3.6099304725	 0.1093503659	-1.8821124407	 0.072901
+H	 4.8296114908	-1.1787160676	 0.0853192379	 0.106025
+H	 5.1145799315	 0.5700570894	 0.1515314479	 0.101935
+H	 3.3235693343	-1.0938588807	 1.9530989373	 0.109435
+H	 4.0903454215	 0.4530687888	 2.3099879672	 0.100465
+H	 1.7046930212	 1.2226458002	 1.859776618	 0.089404
+H	 1.8390749903	 2.4969284118	-1.5260145729	 0.288894
+19
+0 2249	2.3437786	1.8096778	1.4883161	2.2746	74.95	-0.21025	0.08175	0.292	1003.1651	0.156313	-422.520577	-422.512308	-422.511364	-422.55293	31.597
+C	-0.9021475999	 2.5160743337	 0.2112039497	-0.505265
+C	 0.4101859263	 1.9299507675	 0.6100124626	 0.398685
+O	 0.7976214137	 2.0198646046	 1.9878162893	-0.339707
+C	 1.6795785204	 0.8710814772	 1.8023564135	 0.01581
+C	 3.0699661048	 1.4250423296	 1.5348892572	-0.07971
+O	 2.9023125476	 2.2107712264	 0.3468629532	-0.269593
+C	 1.6778363448	 1.8214408097	-0.2331284565	-0.013206
+C	 1.0908403343	 0.5878447814	 0.3962570609	 0.152776
+C	 0.7138442947	-0.7246086747	-0.2207561526	-0.519981
+H	-1.7237024033	 2.0680271641	 0.7796717179	 0.12897
+H	-0.9083908418	 3.5962328609	 0.394096824	 0.138336
+H	-1.0873099291	 2.3519096681	-0.8546544589	 0.123325
+H	 1.5825810306	 0.1310062296	 2.5987432465	 0.0841
+H	 3.4146636369	 2.077438014	 2.3425841419	 0.118625
+H	 3.8079161413	 0.6231721495	 1.3722891429	 0.08964
+H	 1.6288624306	 1.9926742145	-1.3028805836	 0.102058
+H	 0.0080212461	-1.2797324228	 0.4073183967	 0.124632
+H	 0.2421913288	-0.5754551963	-1.1973929594	 0.125005
+H	 1.5946007534	-1.3588789169	-0.3774850054	 0.1255
+19
+0 2250	2.3762007	1.6989929	1.4732878	1.3665	74.23	-0.233	0.0696	0.3026	992.4533	0.157731	-422.541232	-422.533194	-422.532249	-422.573096	32.059
+O	 2.0390435048	 0.6494029467	 3.4029881813	-0.471797
+C	 1.1229726047	 0.1536054874	 2.493548306	 0.30756
+C	-0.2826310711	 0.7017927363	 2.266719118	-0.301348
+C	-0.2043839033	 0.1664786903	 0.7914220832	-0.106039
+C	-0.8399417288	-1.2261543277	 0.6618511028	-0.207884
+C	-0.0442629693	-2.0895696914	 1.6836832203	-0.23798
+C	 1.2270807586	-1.2762317223	 1.928592254	-0.156516
+C	 1.31798383	-0.0917270563	 1.0109626934	 0.330723
+O	 2.3618282578	 0.1107736766	 0.1359189388	-0.460655
+H	 1.9328542072	 0.177098021	 4.2360423721	 0.284002
+H	-1.0995324508	 0.3136344187	 2.8867548153	 0.084558
+H	-0.2885812058	 1.7945654909	 2.3075110938	 0.100767
+H	-0.4894377265	 0.8823211971	 0.0194632251	 0.065933
+H	-1.9164149471	-1.2191223208	 0.8599259326	 0.09339
+H	-0.694223317	-1.6073850172	-0.3549604773	 0.102411
+H	-0.6132306386	-2.249807073	 2.6063187963	 0.094976
+H	 0.1909915919	-3.079872247	 1.2823923111	 0.101115
+H	 2.1634462892	-1.762903461	 2.1807238256	 0.088375
+H	 2.522537494	 1.0585457218	 0.0685680177	 0.288408
+19
+0 2251	2.8101497	1.8471026	1.6148687	2.3418	73.66	-0.22601	0.07108	0.29708999999999997	925.9624	0.158553	-422.523886	-422.516786	-422.515841	-422.554823	29.104
+C	-0.1189843797	 0.1033353422	 0.0274220095	-0.511209
+C	 1.3898842542	 0.1297724429	 0.0546599333	 0.299761
+C	 2.1942454045	 0.6750732948	 1.2528137141	-0.320455
+C	 3.3724885372	-0.2135084936	 0.7672997698	 0.06372
+O	 4.2023277343	 0.4769929834	-0.1483449324	-0.25914
+C	 3.4266811109	 1.1465325974	-1.1432767122	-0.090496
+C	 2.1220009833	 0.3865037685	-1.3229524818	 0.020811
+O	 2.4843639406	-1.0213865868	-1.4343270076	-0.291433
+C	 2.3137175769	-1.1090518478	-0.0182519599	 0.071402
+H	-0.5222987941	-0.3146663016	 0.9561458578	 0.117182
+H	-0.5311510194	 1.1130833749	-0.0878376521	 0.118876
+H	-0.4860421474	-0.5052641583	-0.8059297687	 0.129723
+H	 2.3852658607	 1.7480639162	 1.3434848697	 0.103095
+H	 1.7697930953	 0.3090925202	 2.1935361324	 0.10157
+H	 4.0263155827	-0.684014899	 1.5017955905	 0.08278
+H	 3.2389663769	 2.1954435909	-0.8646689253	 0.091023
+H	 4.0123420286	 1.1351272884	-2.067791603	 0.1179
+H	 1.5175265452	 0.7363326847	-2.1647600316	 0.079085
+H	 2.0934050491	-2.1124015876	 0.3526157975	 0.075807
+19
+0 2252	2.7503856	1.868281	1.6593442	0.2428	73.23	-0.23773	0.06904	0.30677	922.4974	0.158548	-422.539097	-422.531914	-422.53097	-422.570156	29.254
+C	 0.0419652759	-0.0797052008	 0.1506297465	-0.511112
+C	 1.5167173926	 0.0438094406	-0.094006188	 0.425151
+O	 2.2510036486	-1.1883161658	-0.0183064121	-0.339706
+C	 3.2695218878	-0.6073495013	-0.8957343781	 0.056059
+C	 4.3669711601	-0.0116057654	-0.0181160494	-0.21375
+C	 3.6514103198	 0.7763437088	 1.1121582358	-0.214251
+C	 2.3211818418	 1.254911563	 0.5401254288	 0.026385
+O	 2.5686317246	 1.8003663628	-0.7973062153	-0.308055
+C	 2.2607769222	 0.5162134014	-1.3436317978	 0.016721
+H	-0.1503256373	-0.3739430973	 1.1885265653	 0.130502
+H	-0.4550552356	 0.8780454512	-0.0309661395	 0.131622
+H	-0.3965046169	-0.8366557234	-0.5056600547	 0.1298
+H	 3.6120824742	-1.3266528238	-1.6428743979	 0.077055
+H	 5.0068340202	-0.7999050785	 0.3876616692	 0.10384
+H	 4.9923627702	 0.6555854691	-0.6188623388	 0.113682
+H	 3.4639240009	 0.1306431735	 1.9755823279	 0.112742
+H	 4.2535430658	 1.6242744652	 1.4503307332	 0.103741
+H	 1.7747795219	 1.9630154655	 1.168589416	 0.075172
+H	 1.905282973	 0.5379431251	-2.3750431613	 0.084403
+19
+0 2253	2.7326063	1.8922319	1.6765287	2.1274	73.74	-0.22349	0.07702	0.30051	915.9465	0.158434	-422.5282	-422.521058	-422.520114	-422.559179	29.227
+C	-0.1263400816	 0.1322592746	 0.073554223	-0.506648
+C	 1.3719636018	 0.0722975322	 0.0247411514	 0.475406
+O	 2.0438730725	 1.0212125427	 0.8659303877	-0.326638
+C	 3.1926365888	 0.1259079963	 0.8617883413	 0.05992
+C	 4.076811136	 0.5845794891	-0.2895960674	-0.087523
+O	 3.2485262612	 0.7796780279	-1.4371936427	-0.258869
+C	 2.1058758698	-0.0536179224	-1.3941177379	 0.027454
+C	 2.4818801073	-1.5153044656	-1.0204604674	-0.272087
+C	 2.2971685158	-1.0955823659	 0.4479001166	-0.14465
+H	-0.4864713919	 0.0153588097	 1.100043786	 0.127568
+H	-0.478411103	 1.097324639	-0.3072989244	 0.134989
+H	-0.567020727	-0.6571126284	-0.5439990513	 0.120982
+H	 3.7055482566	 0.0931018423	 1.8260659357	 0.081237
+H	 4.5411746675	 1.5489468724	-0.0618005312	 0.117109
+H	 4.8749338882	-0.1459983624	-0.4936873685	 0.091356
+H	 1.5322596568	 0.1407004418	-2.3017027172	 0.078446
+H	 1.7087427053	-2.2280094545	-1.322052814	 0.105239
+H	 3.4534792038	-1.8768160195	-1.3667520949	 0.104795
+H	 2.061770272	-1.8114137694	 1.2363570651	 0.071913
+19
+0 2254	2.7186661	1.840048	1.618461	0.5623	73.01	-0.23426	0.07547	0.30973	921.8073	0.159269	-422.543008	-422.535984	-422.53504	-422.573781	29.401
+O	 0.288508341	 0.1500658509	 0.5923258931	-0.4929
+C	-0.6760239344	 1.1494767233	 0.5573230313	 0.42069
+C	-2.0001843025	 0.8281366477	-0.1309582324	-0.292911
+C	-2.63316543	 1.9518629437	 0.7489592171	-0.071659
+C	-2.5389847878	 3.3074295432	 0.0326856897	-0.198935
+C	-1.1060624561	 3.4518072317	-0.5419503971	-0.224344
+C	-0.191424724	 2.6435221777	 0.3705026047	 0.008708
+O	-0.5468903455	 2.9575354477	 1.7546118388	-0.304402
+C	-1.408827597	 1.8101725307	 1.7495404264	 0.030229
+H	 1.0234755804	 0.4514243517	 1.1385273462	 0.285146
+H	-2.0737712447	 0.9226805999	-1.2182077967	 0.096845
+H	-2.3344791928	-0.1697397759	 0.1658043322	 0.109336
+H	-3.6234571272	 1.7553913457	 1.1609025689	 0.070386
+H	-3.2931129484	 3.3812920572	-0.7570469805	 0.094967
+H	-2.7317041729	 4.111392382	 0.7480683406	 0.113235
+H	-1.0376375257	 3.0698756758	-1.5668827526	 0.104503
+H	-0.7941455531	 4.5004428835	-0.5671476585	 0.105131
+H	 0.8787474824	 2.7792827084	 0.1825198749	 0.069262
+H	-1.5902146316	 1.382993725	 2.7373609239	 0.076713
+19
+0 2255	2.7079383	1.859441	1.6448767	1.6551	73.53	-0.22987	0.06744	0.29730999999999996	913.3216	0.158912	-422.534057	-422.526938	-422.525993	-422.564926	29.601
+O	 0.2524505669	 0.0337598644	 0.5267626062	-0.485382
+C	-0.6331000437	 1.1039052378	 0.6233388078	 0.412768
+C	-1.8954474165	 1.0466162747	-0.2223164854	-0.272096
+C	-2.502221961	 2.0373748994	 0.8164219463	-0.063156
+C	-2.1639579066	 3.4589653634	 0.3686144862	-0.086775
+O	-0.7908848322	 3.5058481488	-0.0328867952	-0.264481
+C	-0.0230760737	 2.5732103222	 0.707428855	 0.036714
+C	-0.3828400804	 2.6037469207	 2.2215612909	-0.273845
+C	-1.448687905	 1.5440999512	 1.8938894297	-0.104311
+H	 1.0213377078	 0.205187299	 1.0809169245	 0.28025
+H	-1.8427064121	 1.3698111703	-1.2657934372	 0.103462
+H	-2.347330803	 0.0529961909	-0.1584090165	 0.10495
+H	-3.5569840566	 1.9288819612	 1.0725077225	 0.073588
+H	-2.7563566392	 3.7567219638	-0.5029797371	 0.107785
+H	-2.3558170861	 4.1859918056	 1.1710422539	 0.094274
+H	 1.0175447149	 2.6948865363	 0.3958656128	 0.07594
+H	 0.4164298448	 2.1781324196	 2.8376475167	 0.091908
+H	-0.6722586164	 3.5695369149	 2.6446658388	 0.102405
+H	-1.8300614518	 0.8549007557	 2.6484617302	 0.066003
+19
+0 2256	2.7336057	1.8547161	1.635898	1.4248	73.66	-0.239	0.07453	0.31353	912.1583	0.159173	-422.536221	-422.52926	-422.528316	-422.566896	29.359
+O	 0.3836875766	 0.1233845148	 0.3338775437	-0.491988
+C	-0.6197285558	 1.0486907005	 0.6111481515	 0.428215
+C	-0.7929163754	 1.7054034497	 1.9899705676	-0.330561
+C	-2.2428933811	 2.0199523178	 1.5199624215	 0.104618
+O	-2.3178985106	 3.2680304725	 0.8482160905	-0.267079
+C	-1.2300733675	 3.4142587011	-0.0688069258	-0.092575
+C	-0.8448141559	 2.0362685235	-0.5993453679	-0.088765
+C	-2.1537050453	 1.2722534791	-0.9576446936	-0.237066
+C	-2.1667154289	 0.8067256923	 0.5033373363	-0.120257
+H	 0.3861712073	-0.5382726439	 1.0343725422	 0.276702
+H	-0.7981100375	 0.9403874721	 2.7753713459	 0.087845
+H	-0.155898263	 2.5380238463	 2.3023717729	 0.102826
+H	-3.0431120657	 2.0096561049	 2.2594594489	 0.083213
+H	-1.5804720898	 4.0701013374	-0.8729604357	 0.107024
+H	-0.3753195972	 3.9051248011	 0.4198308888	 0.094688
+H	-0.0347210438	 2.076444677	-1.3294043438	 0.078776
+H	-2.9938015023	 1.8711915596	-1.3194340501	 0.100729
+H	-1.9720791355	 0.4367909739	-1.6375575914	 0.105387
+H	-2.6707792088	-0.1069283997	 0.8253810884	 0.058269
+19
+0 2257	3.4061296	1.5781795	1.3230552	1.8753	74.22	-0.24375	0.08922	0.33297	1010.4039	0.158658	-422.528476	-422.521044	-422.5201	-422.559871	29.708
+C	 0.0035039662	 0.5302443363	 0.3354929454	-0.50483
+C	 1.3176739816	 0.1838943981	-0.3015391987	 0.308418
+C	 2.1915595543	 1.1424548727	-1.1138955647	-0.301057
+C	 3.4688665503	 0.4016533726	-0.5943722198	 0.118488
+O	 4.2089317181	-0.3063996352	-1.5813893562	-0.268145
+C	 3.6563410546	-1.5708290701	-1.8634845158	 0.021624
+O	 2.2473257897	-1.5507123528	-1.9098068701	-0.252571
+C	 1.7136896487	-1.2245670047	-0.6469670741	 0.055464
+C	 2.5811134851	-0.4647841227	 0.3138839026	-0.215274
+H	 0.0863411007	 1.4281091792	 0.9583800486	 0.119295
+H	-0.7606228431	 0.7241231717	-0.4267274256	 0.127232
+H	-0.361750133	-0.2834783826	 0.9708048015	 0.118609
+H	 2.052361357	 1.1421665493	-2.1976943032	 0.107858
+H	 2.1425635506	 2.1672016021	-0.7354695917	 0.098269
+H	 4.175667687	 1.0537444796	-0.0802891768	 0.089115
+H	 4.0123287503	-1.8661337027	-2.8527970596	 0.116954
+H	 3.9853396983	-2.3018836333	-1.1065762651	 0.082869
+H	 1.0844500952	-2.0106296714	-0.2361628474	 0.092017
+H	 2.7978605284	-0.7954811561	 1.3226253606	 0.085665
+19
+0 2258	3.0679527	1.6609232	1.3919638	1.4185	74.38	-0.2121	0.07469	0.28679	996.6975	0.158298	-422.519212	-422.511671	-422.510727	-422.550742	29.978
+C	-0.0000068424	 0.0730561146	 0.1085969546	-0.495405
+C	 1.4767169463	-0.0550231633	-0.0695966805	 0.408066
+O	 2.1766568191	 1.1047683978	-0.5403932681	-0.338355
+C	 3.3611498642	 0.7261987847	 0.2298542318	 0.089932
+C	 4.5097136919	 0.3427497614	-0.697746337	-0.243722
+C	 3.9577965696	-0.5158403106	-1.8434404543	-0.055521
+O	 3.1209306171	-1.5872710375	-1.4094623761	-0.276297
+C	 2.2539079587	-1.3234026657	-0.3474355085	 0.069362
+C	 2.6367136237	-0.4802907606	 0.8360202916	-0.252177
+H	-0.2426305198	 0.9013198647	 0.7822343639	 0.127891
+H	-0.4841320542	 0.2651855099	-0.8556164954	 0.135153
+H	-0.4205295027	-0.8485037348	 0.5211471411	 0.124326
+H	 3.6181937365	 1.517170072	 0.9394891586	 0.081633
+H	 4.9890598933	 1.2300301756	-1.1258378338	 0.106116
+H	 5.2668071287	-0.1997955132	-0.1191324074	 0.108079
+H	 3.3990241698	 0.1299127024	-2.5306930629	 0.113649
+H	 4.7715661581	-0.9891688129	-2.4004142146	 0.101752
+H	 1.7058241722	-2.2298879324	-0.1063650707	 0.104393
+H	 2.6915249798	-0.8137679623	 1.8649723479	 0.091127
+19
+0 2259	3.1557459	1.6180136	1.3688501	2.5121	74.94	-0.22389	0.07856	0.30245	1004.7804	0.158127	-422.517973	-422.510405	-422.50946	-422.549563	29.877
+C	-0.0005335036	 0.1135886253	 0.1408489169	-0.491632
+C	 1.4712186473	-0.025129758	-0.0692117589	 0.465521
+O	 2.1708544224	 1.1278038847	-0.5542086542	-0.326775
+C	 3.3609404313	 0.7264664086	 0.185215577	 0.086497
+C	 4.4810265461	 0.3445227712	-0.7753784585	-0.09266
+O	 3.9937009486	-0.4233952518	-1.8558347433	-0.241303
+C	 3.2001484453	-1.5451662943	-1.5088554986	-0.094177
+C	 2.2108494999	-1.3100908571	-0.3808343338	-0.121204
+C	 2.6226533641	-0.4663405275	 0.80547992	-0.230414
+H	-0.220883881	 0.9670831738	 0.7895972053	 0.129194
+H	-0.5101121579	 0.2738986993	-0.8159504215	 0.134824
+H	-0.4130525602	-0.7908434976	 0.5970272202	 0.12241
+H	 3.6703155938	 1.5039746598	 0.8904753889	 0.08185
+H	 4.9269929561	 1.2344541464	-1.230145446	 0.114452
+H	 5.2692075413	-0.1850970231	-0.2106300578	 0.085396
+H	 2.6850303558	-1.8311466167	-2.4322893086	 0.11197
+H	 3.8473266831	-2.3914501704	-1.2150773924	 0.085196
+H	 1.6452716416	-2.2001179707	-0.1128239712	 0.089254
+H	 2.671678336	-0.7989612018	 1.8340895165	 0.0916
+19
+0 2260	3.2668776	1.5630717	1.2941994	0.7841	73.78	-0.23217	0.08132	0.31349	1013.8906	0.158845	-422.529128	-422.521641	-422.520697	-422.560537	30.222
+O	 0.2599273358	 0.0348477426	 0.4697580579	-0.468185
+C	-0.8595195292	 0.702348925	 0.9332468649	 0.363124
+C	-0.8965210836	 2.1701630731	 1.351695067	-0.30775
+C	-2.3426917738	 2.2828718574	 0.7466692224	-0.004178
+C	-3.4864681638	 2.493142857	 1.755608926	-0.232145
+C	-3.8409160587	 1.1642477814	 2.4440335357	-0.06405
+O	-2.6823784715	 0.363548124	 2.6693524761	-0.259429
+C	-2.0662538353	-0.0163099601	 1.4677928564	 0.026371
+C	-2.2130841467	 0.8334391726	 0.2312953804	-0.194813
+H	 0.6909201699	-0.3903355369	 1.2197380223	 0.286428
+H	-0.7875649712	 2.3817526608	 2.4199894442	 0.095839
+H	-0.1779259159	 2.7642276549	 0.7829446411	 0.106348
+H	-2.3828891744	 3.023972532	-0.0526042839	 0.077335
+H	-3.1835270804	 3.2424008501	 2.4958503899	 0.103116
+H	-4.3812544595	 2.8837059205	 1.2571447013	 0.095478
+H	-4.2959935397	 1.3237247056	 3.4248645129	 0.104882
+H	-4.5579519827	 0.6032798001	 1.8265883985	 0.09209
+H	-2.0587750962	-1.0924889284	 1.3025291872	 0.089359
+H	-2.5615708231	 0.4425720383	-0.7167092104	 0.090179
+19
+0 2261	3.078331	1.5959403	1.3406913	2.0895	74.51	-0.22399	0.07551	0.2995	999.6629	0.159194	-422.530055	-422.522758	-422.521814	-422.561228	29.863
+O	 0.2782224179	-0.0914869281	 0.3129446739	-0.461591
+C	-0.9078968402	 0.322271062	 0.8897153211	 0.392977
+C	-1.0102597222	 1.2778927173	 2.0774975659	-0.308559
+C	-2.3720984117	 0.5975085165	 2.4606395639	-0.039063
+C	-3.5878400666	 1.4679424652	 2.1486269288	-0.083451
+O	-3.408043099	 2.1728417465	 0.9300963273	-0.245026
+C	-3.1699084686	 1.3358436135	-0.1905457371	-0.108974
+C	-2.1561199164	 0.2355363068	 0.0619352088	-0.07456
+C	-2.1199590736	-0.4852192009	 1.390202744	-0.187197
+H	 0.8672725617	-0.3854661621	 1.0172931059	 0.281618
+H	-0.2410385813	 1.0471292919	 2.8226788799	 0.085489
+H	-1.0125849604	 2.3519643349	 1.878651018	 0.112121
+H	-2.4105418441	 0.2226744005	 3.4853723314	 0.071301
+H	-4.5002397148	 0.8479203839	 2.1134213326	 0.085302
+H	-3.7317616957	 2.2401395483	 2.911258712	 0.104577
+H	-4.1150307877	 0.8643224969	-0.514797511	 0.085301
+H	-2.8402382694	 2.0036643135	-0.9936560383	 0.110542
+H	-2.0116088503	-0.4244555045	-0.7902976899	 0.096453
+H	-2.2762090977	-1.5516284518	 1.4970516428	 0.082741
+19
+0 2262	3.1106445	1.5725293	1.3135361	1.9131	73.82	-0.24081	0.07634	0.31715	1009.5116	0.159223	-422.528875	-422.521466	-422.520522	-422.56022	30.101
+O	 0.2746939505	-0.3896234601	 0.394888734	-0.459065
+C	-0.9588105301	 0.1321115214	 0.7479400439	 0.371655
+C	-1.7917027731	 1.0277948152	-0.1663361966	-0.34932
+C	-3.0799661369	 0.3403399764	 0.4188250704	 0.107907
+O	-3.9200433661	 1.1169260241	 1.249964603	-0.262405
+C	-3.21391196	 1.944682365	 2.1621490929	-0.076333
+C	-2.150016387	 1.1927513191	 2.9815398533	-0.245302
+C	-1.4317357295	 0.1107920393	 2.1896127697	-0.100122
+C	-2.185157983	-0.6785258543	 1.1480717728	-0.143579
+H	 0.9585762857	 0.2239861547	 0.6846786883	 0.284889
+H	-1.6885622392	 2.1138147909	-0.0930953474	 0.093541
+H	-1.6546380563	 0.7318109201	-1.2096233985	 0.110482
+H	-3.7316279522	-0.0854259741	-0.3444417401	 0.088594
+H	-2.7502770842	 2.7842284882	 1.6249233433	 0.092746
+H	-3.9728649213	 2.3690185523	 2.8251298368	 0.106062
+H	-1.4442832602	 1.9208455848	 3.400487211	 0.094588
+H	-2.6357543226	 0.6997094372	 3.8329918178	 0.107716
+H	-0.7704221984	-0.5132873911	 2.7866647258	 0.088847
+H	-2.3337707963	-1.7497625691	 1.1964892997	 0.089099
+19
+0 2263	3.1851324	1.5066697	1.3976122	2.2299	75.2	-0.23718	0.00439	0.24157	1008.7605	0.15699	-422.569704	-422.561756	-422.560812	-422.601239	32.394
+C	-0.0763933022	-0.0212337676	-0.084839333	-0.484757
+C	 1.4235932825	 0.0262269925	 0.0648924119	 0.380921
+C	 2.1159359672	-0.7442497074	 1.2026669811	-0.312397
+C	 3.5249650436	-0.3472977111	 0.679998936	 0.336001
+O	 4.6733855892	-0.8509615206	 1.2996036811	-0.496953
+C	 3.3867367718	-0.8901577205	-0.7729368992	-0.086727
+O	 2.0294574237	-0.6177524521	-1.1122846467	-0.306989
+C	 3.361792822	 1.161489218	 0.5606810158	-0.177271
+C	 2.0983173038	 1.3902829439	 0.1907567594	-0.106461
+H	-0.5622947535	 0.4451969564	 0.7773268607	 0.118195
+H	-0.3861423836	 0.5148760442	-0.9873082839	 0.128013
+H	-0.4224888562	-1.0549804355	-0.1674854144	 0.125704
+H	 1.904492535	-0.3412239276	 2.1952796184	 0.093017
+H	 1.9223936764	-1.8200084432	 1.1684144696	 0.101106
+H	 4.7353541088	-0.4643623277	 2.1790358742	 0.280091
+H	 4.0698635815	-0.3921730701	-1.470129987	 0.098598
+H	 3.5781745172	-1.9703300457	-0.7902802552	 0.104816
+H	 4.1848037497	 1.8630094509	 0.6294122741	 0.102892
+H	 1.647691043	 2.3285889633	-0.109014053	 0.102201
+19
+0 2264	3.0640467	1.5784531	1.4972142	1.4729	75.1	-0.24089	0.00524	0.24613	996.0631	0.156164	-422.571889	-422.563787	-422.562843	-422.603702	32.31
+C	 4.7570912284	 1.0248076489	-0.4076637726	-0.496135
+C	 3.5638948545	 0.1975764796	-0.0057986741	 0.294731
+C	 3.0810997591	-0.914842376	-1.0004974499	-0.102409
+O	 1.7150036625	-1.0848063231	-0.6322110183	-0.304368
+C	 1.5059613957	-0.0996402878	 0.4259402274	 0.434852
+C	 0.052897586	 0.268511145	 0.5154302573	-0.494668
+O	 2.3419702168	 0.9663547959	 0.0268837199	-0.284467
+C	 2.2492575631	-0.6560098082	 1.6438050941	-0.112311
+C	 3.5394392549	-0.4739459754	 1.366002058	-0.14172
+H	 4.9390929723	 1.8171048991	 0.3235105566	 0.135082
+H	 5.6528251906	 0.398470386	-0.4660694034	 0.122766
+H	 4.5938258868	 1.4854211308	-1.3861158176	 0.131059
+H	 3.1462949701	-0.5580843551	-2.0352070082	 0.102004
+H	 3.6346149584	-1.8546756167	-0.8977202522	 0.097901
+H	-0.1003603262	 1.0065928239	 1.3064621769	 0.13137
+H	-0.2825394298	 0.6844366189	-0.4369541184	 0.137877
+H	-0.5417192906	-0.6203765156	 0.7402724603	 0.132547
+H	 1.7915000564	-1.1975397612	 2.4603275899	 0.110393
+H	 4.4115070111	-0.8339902291	 1.8953907644	 0.105496
+19
+0 2265	3.0437838	1.4797577	1.3845346	2.8076	74.45	-0.24386	0.01563	0.25949	1009.4286	0.157311	-422.578895	-422.570819	-422.569875	-422.610595	32.859
+O	-4.2774692808	-0.6567370863	 0.9536396562	-0.50306
+C	-2.9945333632	-0.087715968	 0.9125994538	 0.38447
+C	-2.5821027032	 0.7476338731	 2.1768124677	-0.265331
+C	-1.4224597308	 1.6320098724	 1.6373057846	-0.265328
+C	-1.321610918	 1.1877761137	 0.1344527857	 0.384476
+O	-0.6732741176	 2.091120413	-0.7228832925	-0.50306
+C	-2.8107867517	 0.9678685344	-0.1948135345	-0.267928
+C	-0.8250486533	-0.2558080278	 0.1454423298	-0.14823
+C	-1.8203418422	-1.0146121748	 0.6080828421	-0.14822
+H	-4.3297751897	-1.2287557052	 1.7264292156	 0.275402
+H	-3.4362340517	 1.349362624	 2.5010940623	 0.106145
+H	-2.2823330811	 0.1062878535	 3.0108831808	 0.088841
+H	-1.6691651096	 2.6969943398	 1.6788320739	 0.106147
+H	-0.4804991404	 1.4805077764	 2.1726685697	 0.088831
+H	 0.2177339364	 2.2383565597	-0.3888613732	 0.275401
+H	-3.4237964315	 1.8618801568	-0.047268801	 0.096642
+H	-2.9650168091	 0.5600254656	-1.1948955978	 0.109314
+H	 0.1920442759	-0.5491935379	-0.0884569262	 0.09275
+H	-1.8071064383	-2.0733333724	 0.8408775229	 0.092739
+19
+0 2266	2.8745133	1.5792771	1.3360439	2.4529	74.57	-0.23905	-0.01567	0.22338000000000002	1021.2247	0.157817	-422.599904	-422.592149	-422.591205	-422.631731	30.799
+C	-3.4698709814	-1.3784076429	-0.3946525456	-0.468081
+C	-2.2955124212	-0.4902537433	-0.0550976638	 0.399045
+C	-1.9558728704	 0.6826421086	-1.0000163524	-0.272337
+C	-0.8761704843	 1.2543705724	-0.0574155687	-0.156625
+C	-1.70186561	 1.3317003083	 1.2497109217	-0.08997
+O	-2.5697765981	 0.1907462207	 1.1917077848	-0.307979
+C	 0.0320691375	 0.0329301345	 0.1197842675	 0.420929
+O	 1.2267924761	 0.018528887	 0.2499357807	-0.327113
+C	-0.9212544573	-1.1778985888	 0.1026115981	-0.360217
+H	-3.6306803754	-2.1198295	 0.3935395812	 0.13038
+H	-4.3820262486	-0.7830286519	-0.4936027516	 0.125137
+H	-3.2932622033	-1.9091833665	-1.3348938732	 0.117505
+H	-1.5664121994	 0.3633000352	-1.9704421114	 0.108291
+H	-2.8050844024	 1.3549950735	-1.1472079132	 0.109946
+H	-0.3538673716	 2.1696828839	-0.3292013693	 0.088983
+H	-1.0815556755	 1.2885255754	 2.1524725	 0.116195
+H	-2.2991989544	 2.2522149765	 1.2830440903	 0.106618
+H	-0.6786090834	-1.8317197635	-0.7429692938	 0.125293
+H	-0.8393571269	-1.7628993692	 1.0222425884	 0.134
+19
+0 2267	2.6581564	1.7059322	1.3815525	4.4641	74.25	-0.256	0.0198	0.2758	1006.0151	0.158994	-422.628929	-422.621352	-422.620408	-422.660537	30.219
+C	-3.1180321434	-1.5537647819	 0.9290878201	-0.474214
+C	-2.2478069087	-0.4991359014	 0.2899078951	 0.404869
+C	-2.6710529951	 0.0280688975	-1.1004134879	-0.24054
+C	-1.7504890981	 1.2726854391	-1.2827047931	-0.233337
+C	-0.9069154998	 1.2673146303	 0.0283881381	-0.164186
+C	-1.9466716378	 0.7991660413	 1.0616362358	-0.266229
+C	-0.0455682517	 0.0115721088	-0.0553787455	 0.442292
+O	 1.1263475414	-0.1181240246	-0.2558139237	-0.354037
+O	-0.8987675869	-1.0460072448	 0.1097055898	-0.271694
+H	-2.6876224815	-1.8871386786	 1.877332381	 0.132315
+H	-4.1169150435	-1.1507970828	 1.1221039312	 0.121351
+H	-3.218837427	-2.4244508991	 0.274604458	 0.133643
+H	-2.5100487495	-0.7386344169	-1.8613776681	 0.119013
+H	-3.7313536904	 0.2956398227	-1.1083570151	 0.104768
+H	-1.123356438	 1.2165523081	-2.1750330235	 0.124441
+H	-2.3309016573	 2.1972859485	-1.3425428346	 0.109236
+H	-0.3320240135	 2.1698335739	 0.22188073	 0.09271
+H	-1.5323544473	 0.6089282368	 2.0551470836	 0.114911
+H	-2.8146792419	 1.4591991133	 1.1430588488	 0.104689
+19
+0 2268	2.7984267	1.611186	1.3350577	2.7639	74.09	-0.23136	-0.01698	0.21438000000000001	1023.3389	0.157871	-422.603132	-422.595325	-422.594381	-422.635109	30.86
+C	-3.4751677171	-1.2448206773	 0.6119702883	-0.477676
+C	-2.326698133	-0.4662763463	 0.0133098864	 0.38634
+C	-2.582788302	 0.1779242289	-1.3772259695	-0.252458
+C	-1.6154290913	 1.3966018908	-1.3567392472	-0.238186
+C	-0.9671564044	 1.232680928	 0.0426319235	-0.041861
+O	-2.0284204759	 0.6927980376	 0.8313006034	-0.289314
+C	-0.0081651548	 0.037512589	-0.0564795054	 0.422832
+O	 1.187204482	 0.0481275186	-0.1709886324	-0.318841
+C	-0.9525461317	-1.1755672688	-0.0059430315	-0.375371
+H	-3.2216440756	-1.6003413603	 1.6147850845	 0.12781
+H	-4.3661134333	-0.6141657115	 0.6841453428	 0.128017
+H	-3.7152804442	-2.112246588	-0.010476375	 0.122884
+H	-2.3816545051	-0.5159736991	-2.1973255753	 0.105119
+H	-3.6242556636	 0.4979770184	-1.4563396095	 0.108033
+H	-0.8796646678	 1.3892636944	-2.1648683246	 0.119328
+H	-2.1601816569	 2.3419413868	-1.4018867155	 0.116789
+H	-0.5470488136	 2.1281059844	 0.496463086	 0.098258
+H	-0.7770108203	-1.8529865149	-0.8452324847	 0.125314
+H	-0.7906631614	-1.7295098306	 0.9247855357	 0.132983
+19
+0 2269	2.8200366	1.5829932	1.3254547	3.7281	74.55	-0.22738	-0.01826	0.20912	1026.2746	0.157962	-422.593032	-422.585275	-422.58433	-422.624867	30.718
+C	-3.4329345627	-1.3808277365	 0.760769046	-0.482909
+C	-2.334463394	-0.4809606873	 0.2230324938	 0.264543
+C	-2.6558058778	 0.214359399	-1.112800647	-0.089337
+O	-1.6882432844	 1.2760831426	-1.210197321	-0.281366
+C	-0.9482660519	 1.2805013854	 0.0291016495	-0.008425
+C	-1.9605007088	 0.7770389162	 1.0574144906	-0.277535
+C	-0.0046771726	 0.0707643237	-0.0965323572	 0.438708
+O	 1.1817037391	 0.0636162868	-0.2801233436	-0.324276
+C	-0.9452226301	-1.1435780952	 0.0419957111	-0.370898
+H	-3.1476727714	-1.8191427172	 1.7227481465	 0.121135
+H	-4.3637775634	-0.8225035623	 0.9088110766	 0.119423
+H	-3.6441221815	-2.2062950291	 0.0719600586	 0.121967
+H	-2.5512809023	-0.4543113785	-1.9754931929	 0.104833
+H	-3.6686273109	 0.6392197589	-1.1223515442	 0.098142
+H	-0.4674947967	 2.2479091567	 0.1588343932	 0.092112
+H	-1.5137297827	 0.5345774037	 2.0265957935	 0.109067
+H	-2.7981440164	 1.4648222288	 1.2010696524	 0.11055
+H	-0.8727499763	-1.8070945474	-0.8249570213	 0.128164
+H	-0.6553441152	-1.7224194181	 0.9268359053	 0.126103
+19
+0 2270	2.7437565	1.5745223	1.3157002	2.5445	73.93	-0.23515	-0.01239	0.22275999999999999	1021.2268	0.158564	-422.608601	-422.600901	-422.599957	-422.640362	31.012
+O	-3.4207435588	-1.2702358647	-0.6042975324	-0.497404
+C	-2.3762540806	-0.4916893863	-0.0754242788	 0.415183
+C	-2.6702116956	 0.1930246894	 1.2840512308	-0.264822
+C	-1.6543044719	 1.3747315401	 1.311854601	-0.227867
+C	-0.9054270655	 1.2426000761	-0.0523737283	-0.122663
+C	-2.0305539902	 0.7190141165	-0.9673332864	-0.265658
+C	-0.0301486574	-0.0025425058	 0.0925120628	 0.425808
+O	 1.1608465394	-0.0496146191	 0.2514822824	-0.330039
+C	-1.0026248881	-1.1953426212	 0.0221786398	-0.388691
+H	-3.5875225223	-2.003460481	-0.0027029444	 0.277744
+H	-3.7047135875	 0.5463833829	 1.292227443	 0.108465
+H	-2.5453783282	-0.4937604259	 2.1273536416	 0.094077
+H	-2.1702994459	 2.3377389393	 1.3488912915	 0.112614
+H	-0.9690085969	 1.3386657753	 2.1624682954	 0.116771
+H	-0.35279676	 2.1307533161	-0.3544329345	 0.082996
+H	-2.8681292901	 1.4148886095	-1.0660318654	 0.106511
+H	-1.6913509816	 0.422148132	-1.9638365188	 0.108456
+H	-0.8082078643	-1.7736676474	-0.8883406902	 0.13339
+H	-0.8800873745	-1.8624029857	 0.881251041	 0.115127
+19
+0 2271	2.4401308	2.1270733	1.5384848	1.0386	73.03	-0.24353	0.08787	0.33140000000000003	927.662	0.158717	-422.553381	-422.546262	-422.545318	-422.584313	29.396
+C	 0.1886733828	 0.8145605099	 0.224931418	-0.489815
+C	 1.5377740682	 0.1565106439	 0.0716897595	 0.385391
+C	 2.7563973491	 1.0032404617	-0.3354853954	-0.265547
+C	 3.6882126028	-0.2211880188	-0.4405655785	-0.113228
+C	 2.8344108711	-1.0972401048	-1.3892448334	-0.074933
+O	 1.4756026214	-0.8231163548	-0.9997897938	-0.31052
+C	 3.4970291625	-0.8782511187	 0.9322395473	 0.048586
+O	 3.1387117115	-0.0018432051	 2.0079615583	-0.265501
+C	 2.0889998429	-0.6426845096	 1.2675185199	 0.013109
+H	 0.2129869458	 1.5423561379	 1.0414733274	 0.126845
+H	-0.0976158861	 1.328111325	-0.6971118592	 0.124168
+H	-0.579255051	 0.0684058935	 0.4514965861	 0.125878
+H	 2.5930269502	 1.4989428162	-1.2948403082	 0.099587
+H	 3.0657923627	 1.7215133709	 0.4208071231	 0.123133
+H	 4.7136872662	-0.0535568646	-0.7699721047	 0.073251
+H	 2.9768327159	-0.8190868614	-2.4409196341	 0.100645
+H	 3.0402703809	-2.1696435682	-1.2826609281	 0.099229
+H	 4.0409949709	-1.7760050926	 1.2105719353	 0.100017
+H	 1.4621472421	-1.3413489006	 1.8131514604	 0.099707
+19
+0 2272	2.3547241	2.2178601	1.5406618	2.7395	72.89	-0.24995	0.0861	0.33605	929.5631	0.158573	-422.556777	-422.549582	-422.548637	-422.587842	29.444
+C	-0.0207012429	-0.1988408805	-0.4153682381	-0.490753
+C	 1.1633666505	-0.2346595	 0.5206417773	 0.362833
+C	 2.3689647	-1.1423875378	 0.134837302	-0.254141
+C	 3.5467909683	-0.4369924033	 0.8770701538	-0.22347
+C	 2.7993196981	 0.7416869927	 1.5571634904	 0.009868
+O	 1.7869945069	 1.0565405975	 0.6041189905	-0.270729
+C	 1.9912700428	 0.1207026684	 2.7061703948	 0.034974
+O	 0.653088469	 0.6096924923	 2.8082446689	-0.244814
+C	 0.8933668235	-0.5474506027	 2.0064728416	-0.007389
+H	-0.7735301986	 0.5032511858	-0.0469547902	 0.140136
+H	 0.2903326033	 0.1172298109	-1.4153527512	 0.126181
+H	-0.4786074004	-1.1898286103	-0.4936862873	 0.116903
+H	 2.2269415852	-2.1802766678	 0.4504129017	 0.098935
+H	 2.5130085541	-1.1369411687	-0.9483267611	 0.106683
+H	 4.0503586388	-1.0880438588	 1.5976617892	 0.100103
+H	 4.2974648324	-0.0626741715	 0.1780303625	 0.109928
+H	 3.3892989093	 1.6295548749	 1.7828343067	 0.084814
+H	 2.4593875417	-0.2437601015	 3.6152887144	 0.100701
+H	 0.4298176979	-1.4772209898	 2.322803644	 0.099237
+19
+0 2273	2.3695374	2.151385	1.5188424	1.2568	72.67	-0.24512	0.08274	0.32786	932.329	0.158853	-422.549728	-422.542602	-422.541657	-422.580685	29.334
+C	-0.0579796698	-0.0084588198	-0.0446734163	-0.49823
+C	 1.4563112605	 0.0373154027	 0.0347019948	 0.236315
+C	 2.2118241848	-0.2518406581	-1.290787952	-0.093965
+O	 3.5458885312	 0.2468550429	-1.0764325363	-0.280992
+C	 3.5521478512	 0.7978302181	 0.258686364	 0.049323
+C	 2.1415817728	 1.3778139151	 0.3986545755	-0.266464
+C	 3.5075519347	-0.4245734396	 1.1852466186	 0.032215
+O	 2.5675460889	-0.3454517658	 2.2680711688	-0.265021
+C	 2.1365004392	-0.921439171	 1.0294005291	 0.024508
+H	-0.5078782291	 0.2234806053	 0.9257964147	 0.130207
+H	-0.4381111328	 0.7144123179	-0.7745351761	 0.118202
+H	-0.4110574003	-1.0016770393	-0.3450736019	 0.116734
+H	 2.2505242579	-1.3218437723	-1.5319500554	 0.097586
+H	 1.7545418806	 0.2779277203	-2.1367537814	 0.097848
+H	 4.405739876	 1.468716712	 0.3474435721	 0.077
+H	 1.9010655204	 1.7266535344	 1.4010755529	 0.123189
+H	 1.9511385713	 2.1606055368	-0.3387204965	 0.10023
+H	 4.3742609254	-1.0592453411	 1.3364903312	 0.104488
+H	 1.8667969671	-1.9739024986	 1.0604879742	 0.096826
+19
+0 2274	2.3969609	2.2230294	1.5461872	1.858	73.03	-0.24781	0.0843	0.33211	924.7798	0.158991	-422.561032	-422.553926	-422.552982	-422.59197	29.32
+C	 0.0720251404	-0.3324860805	-0.4437244217	-0.486903
+C	 1.5105783434	-0.1256002185	-0.0413948882	 0.334657
+C	 2.5385050134	 0.1371397827	-1.176821789	-0.102644
+O	 3.5660773988	 0.8834039261	-0.5037980975	-0.274933
+C	 3.0852104212	 1.0005145261	 0.8383007284	 0.172411
+O	 1.6829166846	 1.1032252185	 0.7006360814	-0.278947
+C	 3.2908796102	-0.3522997685	 1.5180768686	-0.067895
+C	 2.1520046338	-0.8608534875	 2.3634341025	-0.321408
+C	 2.1700815882	-1.1572124245	 0.8867227567	-0.073988
+H	-0.5605744224	-0.4499614461	 0.4402369649	 0.132988
+H	-0.2931253494	 0.5192395436	-1.0248146795	 0.130109
+H	-0.0248804533	-1.2353690796	-1.0547631667	 0.122118
+H	 2.9494257401	-0.7865946224	-1.5991577462	 0.098659
+H	 2.1107448685	 0.7472215235	-1.9814068822	 0.100249
+H	 3.5050148613	 1.8940866217	 1.2994382556	 0.090622
+H	 4.2975355991	-0.7340824005	 1.6284154485	 0.098219
+H	 2.3787940037	-1.6950249882	 3.0183691631	 0.111491
+H	 1.4296988866	-0.1534380813	 2.7537825038	 0.125117
+H	 2.3199876616	-2.1669107646	 0.5237016477	 0.090078
+19
+0 2275	2.494156	2.1746867	1.5640969	1.4677	73.32	-0.2465	0.08909	0.33559	920.8804	0.158761	-422.563148	-422.55601	-422.555065	-422.594117	29.442
+C	-0.0523596273	 0.1324706701	-0.0327901026	-0.475961
+C	 1.440939768	-0.0394087841	 0.0252677773	 0.481909
+O	 2.1043295433	 1.1887907531	-0.3298185054	-0.30717
+C	 3.3818675863	 0.7815135185	-0.8441653173	-0.082313
+C	 3.3159708759	-0.75611372	-0.6785590543	 0.005071
+O	 1.9211836926	-0.9652572954	-0.9425713983	-0.280355
+C	 3.4300572679	-1.0435974721	 0.8192235361	-0.042074
+C	 2.4230519716	-1.995020294	 1.4102570238	-0.32059
+C	 2.0959910475	-0.5263724682	 1.325184496	-0.086798
+H	-0.361178761	 0.9123243199	 0.6676277665	 0.131143
+H	-0.354998343	 0.4244625951	-1.0407493222	 0.134983
+H	-0.5496135767	-0.8014918207	 0.2396629319	 0.129848
+H	 3.4676941358	 1.081857406	-1.8947688452	 0.103417
+H	 4.1929624408	 1.2390899493	-0.2667651518	 0.099587
+H	 3.924792904	-1.3449669636	-1.3640233328	 0.08703
+H	 4.3621824187	-0.8321371504	 1.3289242872	 0.092157
+H	 1.9054677866	-2.6894505474	 0.7587447867	 0.124745
+H	 2.6544626699	-2.3770963455	 2.3985480074	 0.110888
+H	 2.0061063591	 0.0875862093	 2.2120910971	 0.094484
+19
+0 2276	2.5061946	1.9196487	1.6423438	0.4374	72.3	-0.24932	0.06595	0.31527	916.6078	0.159193	-422.554902	-422.547872	-422.546928	-422.585633	29.697
+O	 0.322332049	 0.2204113406	-0.2685379332	-0.502981
+C	-0.9147990816	 0.5125008791	 0.3317052264	 0.387517
+C	-1.3490641521	-0.4001974836	 1.5059252305	-0.261297
+C	-2.8920790921	-0.1799747789	 1.5699300943	-0.20478
+C	-3.1520501156	 0.8315820308	 0.4227135843	-0.071545
+C	-2.1169811354	 0.3661584457	-0.632717104	-0.243214
+C	-2.5461863772	 2.2020168707	 0.8062357226	 0.040644
+O	-1.7568820652	 2.2204665927	 2.0074433069	-0.249068
+C	-1.0954440007	 1.9977125223	 0.7535164711	-0.036275
+H	 0.9957856419	 0.2120875208	 0.4198577221	 0.278875
+H	-1.0887470603	-1.4331109344	 1.2572894268	 0.096696
+H	-0.8549767099	-0.1299970129	 2.4418639289	 0.103746
+H	-3.434692361	-1.1086573328	 1.3731276424	 0.093851
+H	-3.2149140038	 0.2056653722	 2.5376439295	 0.11282
+H	-4.1902444624	 0.8875940159	 0.0944082361	 0.064696
+H	-2.2630968496	-0.6596970848	-0.9859719093	 0.097015
+H	-2.04092332	 1.0379458901	-1.4927928289	 0.099773
+H	-3.0503531084	 3.1336224734	 0.5664322551	 0.097075
+H	-0.3579912957	 2.7376919231	 0.4537345185	 0.096455
+19
+0 2277	2.358602	2.1365929	1.5093341	2.397	72.93	-0.23971	0.07144	0.31115000000000004	929.6412	0.159556	-422.554677	-422.547654	-422.54671	-422.585437	29.667
+O	 0.2259166475	 0.6143372845	 0.0678214498	-0.498162
+C	-0.299477841	 1.2761220423	 1.1866377368	 0.373716
+C	-1.8440313187	 1.1987804572	 1.192453566	-0.084925
+O	-2.2470002873	 2.2477219	 2.0893614772	-0.280584
+C	-1.0230446173	 2.8639851427	 2.5556646721	 0.087785
+C	-0.1483291426	 2.8143823215	 1.2988380957	-0.317488
+C	-0.3748483048	 1.8611637583	 3.5126659829	-0.022548
+C	 1.0995896919	 1.5629497469	 3.4130662649	-0.342936
+C	 0.1267741954	 0.7733095418	 2.5724834073	-0.09444
+H	 1.1834488172	 0.5831034433	 0.1637385372	 0.279546
+H	-2.2470146804	 1.3831540212	 0.1888419113	 0.102946
+H	-2.2116290577	 0.2300407945	 1.550225038	 0.097025
+H	-1.2802291052	 3.8394455924	 2.9686072216	 0.075834
+H	-0.6127921394	 3.3344011252	 0.4592368725	 0.110909
+H	 0.8760011365	 3.1675416965	 1.4193653887	 0.097164
+H	-0.9090799291	 1.6213569118	 4.4243077051	 0.096108
+H	 1.7891847883	 2.2742993379	 2.9731509047	 0.112046
+H	 1.5205360033	 1.0248426714	 4.2560428592	 0.116158
+H	-0.0289672866	-0.2790698393	 2.7846846089	 0.091845
+19
+0 2278	2.6190064	1.9521744	1.518955	0.9762	75.12	-0.24071	0.01447	0.25518	948.6095	0.158366	-422.583912	-422.57641	-422.575466	-422.615287	30.222
+C	 0.1370298203	-0.4208467645	 0.3089832714	-0.446073
+C	 1.5833552742	-0.1131043766	-0.0194062839	 0.444355
+C	 2.0420073869	-0.6316006325	-1.3989080391	-0.281025
+C	 3.5463244156	-0.5987002627	-1.5020591791	-0.058939
+C	 4.2998865402	-0.2396624024	-0.4645499904	-0.064242
+C	 3.6180888474	 0.1260519614	 0.8334153198	-0.002825
+C	 3.0037734799	 1.5372895554	 0.7657712099	-0.084741
+O	 1.8040970348	 1.3090586852	 0.0297174618	-0.308704
+O	 2.4250578077	-0.6518346679	 0.9839110366	-0.277327
+H	-0.1122705049	-0.0019960435	 1.2861065575	 0.128256
+H	-0.5200975305	 0.0210098488	-0.4445878208	 0.125903
+H	-0.0265298932	-1.5013941263	 0.3300179215	 0.124972
+H	 1.6679783753	-1.6507756495	-1.5670462403	 0.107091
+H	 1.5904855239	 0.000148592	-2.173261765	 0.11788
+H	 3.9942736382	-0.8840520614	-2.4501090247	 0.09357
+H	 5.3821135983	-0.1840139334	-0.5239450409	 0.090564
+H	 4.2471646344	-0.0409624508	 1.7095047966	 0.087132
+H	 2.7740207316	 1.919937364	 1.7695104624	 0.097082
+H	 3.6276877698	 2.2613264446	 0.2332957068	 0.107072
+19
+0 2279	2.5575609	1.9583688	1.4989367	1.8615	74.32	-0.24095	0.00884	0.24979	952.8841	0.15869	-422.579458	-422.572004	-422.57106	-422.610815	30.035
+C	 0.0845450402	 0.3335532684	 0.011146956	-0.467287
+C	 1.5765815916	 0.0732318415	 0.1079043591	 0.338618
+C	 2.4633186295	 1.2309059801	-0.4574318465	-0.127405
+O	 3.4271096685	 0.5821530657	-1.2879137726	-0.261697
+C	 3.3044533491	-0.7991163992	-0.9632291919	 0.130091
+O	 1.9214207321	-1.0006589902	-0.784791705	-0.27158
+C	 4.0473690547	-1.1090213606	 0.3237651684	-0.056786
+C	 3.4374928145	-0.8831292383	 1.4853957455	-0.08003
+C	 2.030802201	-0.3343976661	 1.5239451355	-0.28739
+H	-0.2006359301	 1.1768326352	 0.6485881914	 0.118473
+H	-0.1942163916	 0.5651983236	-1.0203225191	 0.12902
+H	-0.4812953279	-0.5451424053	 0.3336964408	 0.127744
+H	 1.8865416103	 1.9231510234	-1.0789479637	 0.10637
+H	 2.9537098604	 1.7968438836	 0.3437697462	 0.100537
+H	 3.6464994112	-1.3870992564	-1.8175434944	 0.090091
+H	 5.0675200451	-1.472333761	 0.2594655845	 0.095824
+H	 3.9297584947	-1.0893413635	 2.4320491376	 0.096056
+H	 1.3417791482	-1.084560855	 1.9367457583	 0.111885
+H	 1.9779044086	 0.5320633442	 2.1962852199	 0.107465
+19
+0 2280	2.5258375	1.8923397	1.4586094	0.8772	74.39	-0.23926	0.00942	0.24868	956.4897	0.159201	-422.580017	-422.572615	-422.571671	-422.611261	30.316
+O	 0.2821874131	-0.0424331359	 0.3827669391	-0.498344
+C	-0.8124798524	 0.8204687432	 0.1520392321	 0.356256
+C	-2.1980381164	 0.1212684663	 0.2946936349	-0.112289
+O	-3.0991362807	 1.083954954	 0.8442539937	-0.268803
+C	-2.4232839963	 2.3575514233	 0.7987879832	 0.050242
+C	-0.9803047044	 1.9850708036	 1.1478482044	-0.279675
+C	-2.4745331511	 2.937136243	-0.6038819143	-0.062801
+C	-1.645434623	 2.4789310031	-1.5421783562	-0.062666
+C	-0.6270172444	 1.4023290207	-1.2573443913	-0.27401
+H	 0.2105856653	-0.3849565954	 1.2804920324	 0.275264
+H	-2.5690252356	-0.252068883	-0.668242344	 0.100478
+H	-2.1279407064	-0.7302866356	 0.9845286877	 0.089313
+H	-2.9180252859	 3.0027889214	 1.5269694548	 0.076491
+H	-0.2582734258	 2.7896553657	 0.9946309894	 0.107216
+H	-0.915805725	 1.628292968	 2.1820643688	 0.089215
+H	-3.2216160493	 3.6914428617	-0.8299507456	 0.091309
+H	-1.6867506655	 2.8657260668	-2.5572882597	 0.093749
+H	-0.7038236375	 0.5961185648	-1.9983777746	 0.113148
+H	 0.3938752814	 1.7982219243	-1.3481384049	 0.115907
+19
+0 2281	2.6377894	1.8890927	1.506626	1.3158	75.34	-0.24151	0.01389	0.2554	958.3786	0.158581	-422.581721	-422.574228	-422.573283	-422.613096	30.114
+C	 0.0769804638	-0.2410953531	-0.3136556968	-0.476299
+C	 1.5732356286	-0.1216004185	-0.0989259401	 0.301689
+C	 2.3967619646	 0.2320141678	-1.3581680081	-0.094164
+O	 3.5268237485	 0.916642657	-0.8223808553	-0.281416
+C	 3.2372571342	 1.1943868635	 0.5500401137	 0.184686
+C	 3.9615080037	 0.1830991403	 1.4494617462	-0.279214
+C	 3.2927410604	-1.1635397304	 1.3300949314	-0.071708
+C	 2.1881743171	-1.319580929	 0.6027514172	-0.081115
+O	 1.8440859657	 1.0566983059	 0.6882715622	-0.2796
+H	-0.4335213308	-0.4137892167	 0.6377184819	 0.133786
+H	-0.3178637517	 0.6752551135	-0.7597208965	 0.128712
+H	-0.1462620356	-1.080949492	-0.9792607183	 0.120726
+H	 2.7344116297	-0.6466808848	-1.9157864367	 0.106206
+H	 1.8276926149	 0.8933586384	-2.0263523666	 0.092994
+H	 3.5107058212	 2.2301724843	 0.7740157053	 0.085048
+H	 5.0119180243	 0.1260662476	 1.1404154189	 0.119365
+H	 3.9567666085	 0.5301387461	 2.4920734078	 0.109435
+H	 3.7374722755	-2.0025350311	 1.8584820979	 0.094452
+H	 1.7074427875	-2.2862237688	 0.4846998556	 0.086415
+19
+0 2282	2.6839093	1.8713365	1.5246386	1.53	75.01	-0.23936	0.01113	0.25049	955.2608	0.158486	-422.582283	-422.574779	-422.573834	-422.613683	30.179
+C	 0.0261990745	 0.3365078308	 0.1517594362	-0.46373
+C	 1.5166259723	 0.1111119597	 0.0455602749	 0.414755
+O	 1.8227094087	-0.4813765105	-1.2210856277	-0.287509
+C	 3.1748577476	-0.1160520474	-1.4925711639	-0.10454
+C	 3.5028165652	 0.9643392107	-0.4207127308	 0.040572
+C	 4.2669906052	 0.3918397777	 0.7808182483	-0.267548
+C	 3.3872954576	-0.6064530735	 1.4958406098	-0.090639
+C	 2.1071293511	-0.7478752617	 1.1584125681	-0.060983
+O	 2.1988078816	 1.3552276	 0.009255239	-0.274499
+H	-0.2147044864	 0.8160261728	 1.1037703788	 0.130447
+H	-0.3045558095	 0.9754053552	-0.6692333654	 0.132708
+H	-0.4991906825	-0.6202129621	 0.0951717365	 0.128474
+H	 3.8403388074	-0.9844687826	-1.4136657044	 0.100701
+H	 3.2276681385	 0.2799355339	-2.511535481	 0.109354
+H	 3.9998035454	 1.841064483	-0.841046018	 0.0839
+H	 5.1967237112	-0.0846504213	 0.4439056189	 0.107775
+H	 4.5643746744	 1.2001437405	 1.4629664672	 0.115142
+H	 3.8285835873	-1.2027794688	 2.2899323246	 0.094432
+H	 1.4618152303	-1.4809723564	 1.6319418188	 0.091189
+19
+0 2283	2.6051625	1.8265957	1.4603381	1.3184	75.02	-0.23889	0.01624	0.25512999999999997	962.9929	0.158951	-422.580441	-422.572955	-422.57201	-422.611744	30.509
+O	 0.2837599946	-0.0668281525	 0.3698064518	-0.499022
+C	-0.4290465975	 0.8536495282	 1.1693298347	 0.338245
+C	-1.5527415081	 0.2105435977	 2.0212538951	-0.103169
+O	-2.4961438934	 1.2561995583	 2.2456706467	-0.276859
+C	-2.1474361068	 2.3870764974	 1.4226575022	 0.09197
+C	-1.2838676885	 1.792689737	 0.3075883308	-0.26249
+C	-1.3407568434	 3.3943811271	 2.261077716	-0.256014
+C	 0.0441565548	 2.8655562771	 2.5471086118	-0.057088
+C	 0.4692487525	 1.7041960291	 2.0502796807	-0.124571
+H	 0.8310156262	-0.609179142	 0.9478923974	 0.277618
+H	-2.0082742467	-0.6165803176	 1.4574145029	 0.094662
+H	-1.1986970094	-0.1682961992	 2.9871433119	 0.092342
+H	-3.0794076973	 2.8362993066	 1.0684403651	 0.077593
+H	-1.8827746639	 1.2163021334	-0.4030030726	 0.108715
+H	-0.6887363384	 2.5318891295	-0.2315047775	 0.108413
+H	-1.2818742458	 4.3652937089	 1.7473482763	 0.101818
+H	-1.881151589	 3.5760968538	 3.1983520384	 0.117651
+H	 0.694784889	 3.4680900377	 3.1758491948	 0.091006
+H	 1.4657298911	 1.3242224497	 2.2637889434	 0.079178
+19
+0 2284	2.1921061	1.8617969	1.6435619	2.3667	74.21	-0.22582	-0.01986	0.20596	966.7316	0.157968	-422.587988	-422.579929	-422.578985	-422.620281	30.945
+C	-0.4416110416	 2.5316451544	 0.068912346	-0.471625
+C	-0.9841238476	 1.1303005121	-0.0343752436	 0.304545
+C	-1.7985235255	 0.7476747395	-1.2884585552	-0.254295
+C	-1.8193856271	-0.8236486501	-1.2377590009	-0.23415
+C	-1.0394790231	-1.1552315144	 0.0604214399	-0.157756
+C	-1.8581730069	-0.6239282565	 1.2456891352	-0.077859
+O	-1.7932917566	 0.8186899667	 1.1200354046	-0.320663
+C	 0.0151228266	-0.042861391	 0.0079291117	 0.399676
+O	 1.2122687154	-0.0635069135	-0.010840143	-0.326816
+H	 0.1121664471	 2.6553614382	 1.0029042091	 0.134432
+H	 0.2379475473	 2.7332017825	-0.7637627813	 0.127994
+H	-1.2518156272	 3.2661100721	 0.0456283534	 0.124575
+H	-2.7985506782	 1.1835308337	-1.2267784366	 0.114784
+H	-1.3206255668	 1.1149877273	-2.2016858913	 0.109475
+H	-2.8353809349	-1.2259137981	-1.2033582405	 0.109759
+H	-1.320998318	-1.2553991037	-2.1095737416	 0.113939
+H	-0.6713318869	-2.1739900444	 0.1599015565	 0.090243
+H	-2.9070284211	-0.9443593267	 1.2140260304	 0.10296
+H	-1.4311295947	-0.9217498782	 2.2114397172	 0.110782
+19
+0 2285	2.2204831	1.816598	1.6247781	2.5095	73.94	-0.22704	-0.02126	0.20578	970.9614	0.158088	-422.584703	-422.576639	-422.575694	-422.617005	30.877
+C	-0.4872376724	 2.5268536276	-0.0422401494	-0.485055
+C	-1.013975981	 1.1085232154	-0.0010574141	 0.155495
+C	-1.89102538	 0.7129069018	 1.2225043639	-0.257221
+C	-1.872240982	-0.8593313316	 1.2217933348	-0.237529
+C	-0.9896446685	-1.1781211008	 0.004149726	-0.001676
+O	-1.710015409	-0.8340220749	-1.1859875039	-0.28812
+C	-1.7573137666	 0.6139976327	-1.2565613091	-0.097752
+C	 0.0228260571	-0.0267559983	 0.0841290759	 0.40689
+O	 1.2142154529	 0.0032504247	 0.2012589152	-0.327302
+H	 0.1160175236	 2.7383367543	 0.8458195829	 0.131017
+H	 0.1494270342	 2.6831420678	-0.9186603826	 0.128446
+H	-1.3027962813	 3.256639405	-0.0798456934	 0.117534
+H	-1.4598416407	 1.114830032	 2.1439040465	 0.110696
+H	-2.9022241352	 1.1186561025	 1.1264536633	 0.108562
+H	-1.4407346175	-1.2590195054	 2.144502134	 0.112921
+H	-2.8656428979	-1.2938045738	 1.0908705438	 0.117756
+H	-0.6019961975	-2.1906682561	-0.0855832594	 0.095409
+H	-1.262654207	 0.9451406054	-2.1789612892	 0.107631
+H	-2.8041657912	 0.9420662016	-1.2846525854	 0.102297
+19
+0 2286	2.2211452	1.7988856	1.6444173	2.5867	73.28	-0.24194	-0.01819	0.22374999999999998	962.7232	0.15912	-422.600761	-422.592957	-422.592013	-422.632668	30.796
+O	-0.559187244	 2.4616051368	 0.1292713948	-0.50842
+C	-1.0813137175	 1.1699224583	 0.0752166313	 0.338588
+C	-1.8078705488	 0.785352605	-1.2356352977	-0.259682
+C	-1.7318238349	-0.7851187747	-1.2568059688	-0.227753
+C	-0.9634463274	-1.1464276346	 0.0428325727	-0.12841
+C	-1.8818586176	-0.8280440846	 1.2532492905	-0.227754
+C	-1.9592391782	 0.7421595285	 1.2757304066	-0.259591
+C	-0.0307999514	 0.0548136516	 0.1191896609	 0.363363
+O	 1.1610685735	 0.193628561	 0.1928409606	-0.346121
+H	 0.4031473563	 2.3595968567	 0.1840217395	 0.285757
+H	-2.8346123764	 1.1597504433	-1.2532134908	 0.107606
+H	-1.2776929083	 1.2240632735	-2.0848270822	 0.113438
+H	-2.720580799	-1.2512792614	-1.269371652	 0.107584
+H	-1.1913437384	-1.1384462925	-2.1389564479	 0.113509
+H	-0.4982845567	-2.1303270435	 0.053605563	 0.085699
+H	-2.8637099309	-1.2933875179	 1.1328611819	 0.107581
+H	-1.4487538147	-1.2114256714	 2.1809709548	 0.1135
+H	-2.9816497265	 1.1170415134	 1.1816832071	 0.107595
+H	-1.5363953889	 1.1519190525	 2.1965292557	 0.113512
+19
+0 2287	2.6954799	1.7334569	1.7275833	1.1691	74.93	-0.24253	0.00237	0.2449	932.2647	0.158371	-422.563056	-422.555553	-422.554609	-422.594319	30.351
+C	 0.0827385433	-0.2062604859	-0.1764188346	-0.471725
+C	 1.5921210907	-0.1505725152	-0.0429618497	 0.312407
+C	 2.0978766115	-0.6924773564	 1.3123305916	-0.077487
+O	 3.5140258103	-0.5353972255	 1.3981737911	-0.278502
+C	 4.0483664474	 0.0699268945	 0.2063242699	 0.01819
+C	 3.3715772677	 1.4429865245	 0.0597456487	-0.0684
+O	 1.9644424062	 1.2504346866	-0.0768920556	-0.305751
+C	 3.6767643742	-0.7599370442	-0.9969113042	-0.086524
+C	 2.3557438491	-0.8811647379	-1.1267276132	-0.091262
+H	-0.3951442346	 0.3493323092	 0.6346760019	 0.126959
+H	-0.2263112394	 0.2406918054	-1.1253753657	 0.130319
+H	-0.2680596375	-1.2423658018	-0.1486420895	 0.118723
+H	 1.6273658369	-0.1214774265	 2.1236741582	 0.099716
+H	 1.8409623213	-1.7537132731	 1.4296520649	 0.09502
+H	 5.122777245	 0.1654390312	 0.3676477573	 0.080681
+H	 3.5644838502	 2.0427371835	 0.9584671819	 0.103165
+H	 3.7565674876	 1.981408566	-0.8167153015	 0.096251
+H	 4.4182709373	-1.1857142343	-1.6627753334	 0.101457
+H	 1.8458500728	-1.4388137501	-1.904783448	 0.096761
+19
+0 2288	2.7110728	1.7096995	1.7061894	2.2834	74.26	-0.23832	0.00589	0.24421	935.8838	0.158712	-422.568862	-422.56139	-422.560446	-422.600145	30.144
+C	 0.039240737	 0.0416877739	 0.0342907728	-0.480549
+C	 1.5612459637	 0.0054973025	-0.0290196896	 0.161935
+C	 2.176751784	-0.7492843287	 1.1772010322	-0.069786
+O	 3.603468653	-0.7120303514	 1.1083395164	-0.266751
+C	 4.0398376645	-0.008435777	-0.0466655648	 0.146732
+O	 3.6073067921	 1.3433069743	 0.0256175345	-0.266754
+C	 2.1808130598	 1.4253425131	 0.0315739507	-0.069787
+C	 3.4608545436	-0.6580438381	-1.2818586205	-0.083231
+C	 2.1285781958	-0.6493340145	-1.2700271601	-0.11747
+H	-0.3100103509	 0.5251766242	 0.9526788698	 0.119984
+H	-0.3744655769	 0.5952526622	-0.8151584528	 0.122944
+H	-0.3774403689	-0.9706540247	 0.0080899254	 0.122943
+H	 1.8624495805	-0.2686399773	 2.1140102447	 0.099213
+H	 1.8426444562	-1.7950696001	 1.1924995789	 0.096305
+H	 5.1282804412	 0.0104620461	-0.0069348418	 0.087559
+H	 1.8665163196	 1.9271166048	 0.9572399255	 0.099212
+H	 1.849818659	 2.0302998524	-0.8228259061	 0.096302
+H	 4.0910676939	-1.0695252489	-2.0606775379	 0.106864
+H	 1.4883368628	-1.0566613228	-2.0454904474	 0.094335
+19
+0 2289	2.7054705	1.7613465	1.757225	1.9242	74.87	-0.23613	0.00886	0.24499	925.9313	0.15844	-422.573707	-422.566254	-422.56531	-422.60494	30.251
+C	-0.0094580558	-0.2770496435	 0.1047916086	-0.464373
+C	 1.4172233262	 0.1815519372	-0.0946442202	 0.43876
+O	 2.2706052659	-0.9323723135	 0.1850022473	-0.294378
+C	 3.6525668511	-0.5897653476	 0.0790488624	-0.058581
+C	 3.7805551256	 0.9018552408	-0.3009053344	-0.133851
+C	 3.0240405814	 1.6786925951	 0.7990342645	-0.058583
+O	 1.6769335189	 1.2103548406	 0.8652592692	-0.294377
+C	 3.0203015823	 1.0995338997	-1.5872924034	-0.109864
+C	 1.7503743925	 0.7122318137	-1.4755652434	-0.079846
+H	-0.137012666	-0.6356806963	 1.1277383974	 0.13428
+H	-0.6959435331	 0.5546066218	-0.0705520227	 0.125955
+H	-0.2403016137	-1.0882266013	-0.5897273354	 0.126002
+H	 4.1332926159	-0.7746433267	 1.0493089964	 0.099891
+H	 4.1271629824	-1.2323242465	-0.673648944	 0.097569
+H	 4.8276744391	 1.2070593608	-0.3484322089	 0.074541
+H	 3.500058438	 1.5111172546	 1.7747410499	 0.099893
+H	 3.0218154623	 2.7566323479	 0.5923379686	 0.097564
+H	 3.4752167794	 1.509463709	-2.4816027587	 0.097852
+H	 1.0007623174	 0.7526217442	-2.2570956033	 0.101547
+19
+0 2290	2.6466798	1.6919358	1.6763487	1.4349	74.18	-0.2381	0.01186	0.24996000000000002	937.048	0.159128	-422.575353	-422.567913	-422.566969	-422.60654	30.529
+O	 0.0185153724	 0.3775932906	-0.0383573238	-0.504649
+C	-0.7145452358	 1.0343240496	 0.9750469921	 0.317622
+C	-1.1018183974	 0.1046588506	 2.1548770173	-0.25084
+C	-1.9250939884	 0.923592981	 3.1863847632	-0.21524
+C	-2.0511979518	 2.3647759969	 2.6451472208	 0.053175
+O	-0.7172144687	 2.9102078726	 2.5424568945	-0.275714
+C	 0.0760473957	 2.2235533913	 1.5818343756	-0.092429
+C	-2.6886446485	 2.3203421362	 1.2780667204	-0.09108
+C	-1.9777229444	 1.612644647	 0.3994306996	-0.078857
+H	 0.7775098114	-0.0504064398	 0.3725250354	 0.275876
+H	-1.6628557774	-0.7476720032	 1.7640341842	 0.108202
+H	-0.183847401	-0.285500416	 2.6123316892	 0.086739
+H	-2.9178690665	 0.4911601631	 3.3405699461	 0.102718
+H	-1.4217183342	 0.9570359988	 4.1565950272	 0.105765
+H	-2.5753858507	 3.0170544899	 3.3450710253	 0.075848
+H	 0.377808785	 2.9109027571	 0.7812034421	 0.101368
+H	 0.9860545261	 1.8462487141	 2.0749508763	 0.078829
+H	-3.618831191	 2.8303562299	 1.0572477595	 0.098773
+H	-2.215522415	 1.4580648503	-0.646465805	 0.103894
+19
+0 2291	2.3473347	1.9426068	1.4680321	3.4207	74.65	-0.22582	-0.01603	0.20979	974.2569	0.15788	-422.597721	-422.589899	-422.588955	-422.62963	30.783
+C	-0.252449944	 2.5575857982	-0.3639213891	-0.482757
+C	-0.9384706258	 1.2439474145	-0.1040729294	 0.313443
+C	-1.9707179591	 0.6739245298	-1.0854797594	-0.282533
+C	-2.3405244786	-0.5155777239	-0.1662041935	-0.060439
+C	-2.6628424821	 0.2541354307	 1.1212129364	-0.071247
+O	-1.6813201645	 1.3066660179	 1.1454165198	-0.312109
+C	-0.969742654	-1.1958389673	 0.0384883642	-0.337985
+C	-0.0225330914	 0.0177382086	 0.1164817193	 0.41951
+O	 1.1588859916	 0.0158360196	 0.3342395515	-0.332379
+H	 0.4810671825	 2.7578716234	 0.4212056424	 0.144381
+H	 0.2780552566	 2.5267166704	-1.3198702106	 0.123603
+H	-0.979727954	 3.3733907653	-0.3874622882	 0.121311
+H	-2.7989251501	 1.3638001061	-1.2678705835	 0.109924
+H	-1.5325131773	 0.3664950165	-2.0396460841	 0.107129
+H	-3.1380306709	-1.1730457525	-0.5124583114	 0.077312
+H	-3.670299896	 0.6902048858	 1.106741617	 0.10033
+H	-2.5621290747	-0.3588078661	 2.0245339457	 0.105192
+H	-0.8974866813	-1.8173649536	 0.9354695284	 0.12891
+H	-0.6871611269	-1.8160958935	-0.8195840956	 0.128402
+19
+0 2292	2.3648713	1.9305227	1.4806274	4.2728	73.68	-0.25688	0.01895	0.27583	971.3653	0.159249	-422.626326	-422.618738	-422.617794	-422.657947	30.097
+C	-0.1838027231	 2.5360681989	-0.3821694893	-0.480089
+C	-0.9483010806	 1.2717798376	-0.0495432854	 0.145899
+C	-1.810754911	 1.3103597777	 1.2565065554	-0.250833
+C	-2.6984212409	 0.0339510339	 1.1430541065	-0.225338
+C	-2.2277380398	-0.5498606396	-0.2010658317	 0.091315
+C	-1.9714331912	 0.696322285	-1.0554655548	-0.268139
+O	-0.8813895365	-1.0593931081	 0.0126591398	-0.244105
+C	-0.0642565871	 0.0325754218	 0.1247460478	 0.445383
+O	 1.1089979461	-0.046211687	 0.3459628491	-0.360408
+H	 0.5633388962	 2.7439313717	 0.3891572406	 0.13831
+H	 0.3471854185	 2.4383383158	-1.3337508067	 0.126502
+H	-0.8587119976	 3.3951627097	-0.4515903432	 0.111868
+H	-1.1879993569	 1.3227363813	 2.1541536688	 0.122304
+H	-2.413503812	 2.2234560844	 1.2599507742	 0.106696
+H	-2.5320508398	-0.6792173448	 1.9527577976	 0.121524
+H	-3.7649801938	 0.2735056446	 1.1150644624	 0.107405
+H	-2.8252931203	-1.356629548	-0.6216629417	 0.090747
+H	-1.5398685256	 0.4617224456	-2.0321642809	 0.115196
+H	-2.8573851846	 1.3243677796	-1.1840103885	 0.105765
+19
+0 2293	2.3377762	1.9090028	1.4754305	2.3908	73.86	-0.23054	-0.01648	0.21406	978.5188	0.157971	-422.603784	-422.595903	-422.594959	-422.635868	30.841
+C	-0.3269735597	 2.4819134137	 0.6140521261	-0.483673
+C	-0.9546568036	 1.2436213336	 0.0278440892	 0.276447
+C	-1.6028441142	 1.3586317583	-1.3837902054	-0.265162
+C	-2.6184350715	 0.1798017002	-1.3656155697	-0.222054
+C	-2.3536399528	-0.4225006487	 0.0338082945	 0.063374
+C	-1.0144431825	-1.183135948	 0.0433375367	-0.339624
+C	-0.0411697504	 0.0030480268	-0.0424825346	 0.399109
+O	 1.1551972905	-0.0189226742	-0.1540807368	-0.326998
+O	-2.0410816012	 0.736972703	 0.8252574478	-0.29186
+H	-0.0415704069	 2.3092006749	 1.6550848638	 0.133302
+H	 0.5773157605	 2.7316255823	 0.052444241	 0.139507
+H	-1.017074995	 3.3290234025	 0.5752305666	 0.121493
+H	-2.1073500558	 2.3241629702	-1.4710313464	 0.112625
+H	-0.8656159971	 1.2890173744	-2.1878192106	 0.118086
+H	-3.6463713297	 0.5410534899	-1.4374541511	 0.111914
+H	-2.4579585837	-0.5427411356	-2.1698043089	 0.104885
+H	-3.1929029244	-0.9515545929	 0.4839636268	 0.08501
+H	-0.8692597125	-1.7084271806	 0.992685882	 0.137303
+H	-0.8572693301	-1.8933419799	-0.7720231708	 0.126315
+19
+0 2294	2.3810964	1.8895594	1.4430133	2.2169	73.98	-0.2394	-0.01615	0.22325	978.7353	0.157966	-422.597569	-422.589721	-422.588777	-422.629553	30.746
+C	-0.2480666601	 2.5282030147	 0.4792964759	-0.488059
+C	-0.932416644	 1.2403101332	 0.0735868114	 0.159295
+C	-1.622888696	 1.2529777095	-1.3187507389	-0.104981
+O	-2.4932306964	 0.1117513745	-1.31918208	-0.27776
+C	-2.3328725407	-0.5137945293	-0.036224875	 0.09059
+C	-0.9637062244	-1.2144633518	-0.0171832685	-0.336393
+C	-0.0196086963	 0.0019668649	 0.0231076913	 0.404354
+O	 1.1830760631	-0.0042033012	 0.017151733	-0.332972
+C	-2.1108987432	 0.6773645332	 0.9094524381	-0.276315
+H	 0.157277256	 2.452972486	 1.4924966777	 0.127346
+H	 0.5908848393	 2.7439051705	-0.1891383202	 0.136378
+H	-0.9430143446	 3.3734422097	 0.4491120721	 0.114006
+H	-2.2129897936	 2.1710689681	-1.4442125138	 0.103917
+H	-0.9104843608	 1.1835392606	-2.1494552268	 0.114235
+H	-3.1970191541	-1.1519897407	 0.1457836743	 0.084122
+H	-0.8168797168	-1.8319059897	 0.8764044658	 0.127505
+H	-0.7818985714	-1.8356134128	-0.8974664848	 0.136505
+H	-2.9693503579	 1.3527530437	 0.9483386415	 0.111284
+H	-1.8240470881	 0.3879887768	 1.9244576967	 0.106944
+19
+0 2295	2.4274241	1.8516948	1.4455239	2.7741	73.76	-0.24741	-0.02097	0.22644	974.4595	0.15897	-422.611001	-422.603457	-422.602513	-422.642554	30.576
+O	-0.3370353977	 2.4946747762	-0.3483909493	-0.507791
+C	-0.9921657196	 1.3188468058	-0.0038132791	 0.349055
+C	-1.789231348	 1.3738644492	 1.3376611497	-0.264994
+C	-2.7301945143	 0.1372212581	 1.2597334315	-0.21592
+C	-2.3351596382	-0.5158951166	-0.0887613228	-0.026494
+C	-0.9201500904	-1.1265630955	 0.0579135811	-0.333903
+C	-0.0488914659	 0.1276255498	 0.1158719305	 0.373432
+O	 1.1524520601	 0.2243833141	 0.1824984652	-0.353921
+C	-2.0522683457	 0.7261545099	-0.9671062743	-0.285052
+H	 0.6103558686	 2.2980047507	-0.2803825025	 0.287575
+H	-1.1253981341	 1.3648897923	 2.2063678979	 0.109893
+H	-2.3398049394	 2.318092181	 1.3564604921	 0.117601
+H	-2.6008557634	-0.5486631085	 2.1017274906	 0.100262
+H	-3.7810342188	 0.4394585562	 1.246964048	 0.104635
+H	-3.0741347151	-1.2166035184	-0.4780669688	 0.072257
+H	-0.7814333563	-1.7630831692	 0.9369678678	 0.128151
+H	-0.6320910027	-1.7149001656	-0.8210751729	 0.133704
+H	-1.6426237533	 0.488081073	-1.9534897786	 0.104051
+H	-2.9183918556	 1.3823247276	-1.0877419963	 0.107462
+19
+0 2296	2.279826	1.5703642	1.4167675	2.2429	75.44	-0.24153	-0.02504	0.21649	1052.2102	0.154315	-422.553477	-422.544301	-422.543357	-422.587165	33.861
+C	-3.2664526462	 0.138773408	-1.1252757116	-0.475913
+C	-2.1579075419	-0.0442934448	-0.1239971207	 0.400436
+C	-1.0822574601	 1.0633400534	 0.0536001406	-0.403249
+C	-0.0059694291	-0.0400956356	 0.0388342959	 0.373213
+O	 1.1909561087	-0.0338157542	 0.076237087	-0.304663
+C	-1.0383217486	-1.1607481844	-0.1585263522	 0.092829
+C	-0.7897496693	-2.2101441108	-1.2163736319	-0.497665
+C	-1.6614520849	-1.5800242158	 1.1969705077	-0.120912
+O	-2.6267127697	-0.5107389023	 1.1641333749	-0.329522
+H	-3.8378743064	-0.7856772129	-1.2486992589	 0.126552
+H	-3.9558709657	 0.9186967037	-0.783624157	 0.136055
+H	-2.8702106251	 0.4394164469	-2.1003767273	 0.120214
+H	-0.9764567407	 1.7325488838	-0.8076878275	 0.130624
+H	-1.1637482384	 1.6607602386	 0.9647298103	 0.137862
+H	 0.0600338112	-2.8398641331	-0.9316210009	 0.141859
+H	-1.6633847411	-2.8570937488	-1.3470544807	 0.123148
+H	-0.5508801704	-1.7580369012	-2.1842358324	 0.126343
+H	-2.149544577	-2.562522608	 1.1555433313	 0.107804
+H	-1.0124856553	-1.5413806225	 2.0797715632	 0.114985
+19
+0 2297	2.1533906	1.6428342	1.489474	4.281	74.89	-0.26159	0.01537	0.27696	1039.9482	0.155708	-422.586816	-422.577918	-422.576974	-422.619976	33.208
+C	-3.1362499766	 0.2655040089	-1.1730943408	-0.479318
+C	-2.1764479403	-0.1238374784	-0.0852163253	 0.415954
+C	-2.6554399741	-0.6667475282	 1.2799300926	-0.271115
+C	-1.5255510872	-1.7392604641	 1.2454078312	-0.282261
+C	-1.059307364	-1.2183399745	-0.1567218366	 0.063975
+C	-0.7946267264	-2.1995201358	-1.2733745359	-0.496241
+C	-0.123228749	-0.0256940575	 0.0095579477	 0.434887
+O	 1.0498042799	 0.1737729858	 0.0500908592	-0.341306
+O	-1.133400017	 0.8999298289	 0.121096754	-0.301635
+H	-3.8382616137	-0.5494074153	-1.3747859235	 0.124739
+H	-3.7153890064	 1.1460706529	-0.8747647331	 0.138586
+H	-2.6044767992	 0.5061642412	-2.0982619104	 0.132887
+H	-2.6136102235	 0.0664121444	 2.0872673474	 0.121606
+H	-3.6592927957	-1.0966665149	 1.2430102775	 0.109275
+H	-0.7756014486	-1.6923931133	 2.0373122879	 0.123694
+H	-1.9056919655	-2.761883883	 1.1903959833	 0.112759
+H	 0.1223357012	-2.7623738063	-1.069169686	 0.143925
+H	-1.6155964239	-2.917422318	-1.3713545325	 0.119464
+H	-0.6640444902	-1.6937604727	-2.2352558667	 0.130125
+19
+0 2298	2.2023519	1.6246888	1.4310794	2.3812	75.96	-0.24123	-0.02285	0.21838	1042.0033	0.155176	-422.559628	-422.550592	-422.549648	-422.593164	33.911
+C	-3.1691750352	-0.0072121531	 1.1617808976	-0.488259
+C	-2.2150179173	-0.175767718	 0.0035963198	 0.27234
+C	-2.7220779462	-0.7195171263	-1.3505297903	-0.27336
+C	-1.4984071741	-1.6730808932	-1.4501626666	-0.284156
+C	-1.0407956153	-1.3102321051	-0.0114084927	 0.29366
+O	-0.884738551	-2.393463921	 0.8347228177	-0.470713
+C	-0.0656115703	-0.1654673062	 0.1498425341	 0.318756
+O	 0.9963115455	-0.1387895877	 0.7158686436	-0.326118
+C	-1.1091528142	 0.9148597707	-0.1701373026	-0.404704
+H	-3.7219786181	-0.9332081097	 1.3499918451	 0.127578
+H	-2.6391713475	 0.2573461374	 2.0837243995	 0.118965
+H	-3.8995928234	 0.7859059018	 0.9613628809	 0.121934
+H	-3.6635101319	-1.2672342329	-1.2556392303	 0.106492
+H	-2.8351539412	 0.0223462783	-2.1458751854	 0.099239
+H	-1.7623893872	-2.7309276378	-1.4977836977	 0.128128
+H	-0.7750080614	-1.4615636218	-2.241396752	 0.11129
+H	-0.2023989135	-2.16041703	 1.4783973448	 0.294454
+H	-1.1158853645	 1.7222361814	 0.5668033955	 0.131429
+H	-1.0376065834	 1.3512620531	-1.1702150111	 0.123047
+19
+0 2299	2.2043901	1.5741999	1.4455097	3.2076	75.48	-0.23414	-0.01697	0.21716999999999997	1044.5568	0.154645	-422.559148	-422.549933	-422.548989	-422.592976	34.319
+C	-0.9555644717	 2.2223582576	 1.1022121371	-0.491538
+C	-1.1064070771	 1.1050470507	 0.0965298836	 0.168102
+C	-1.7254268963	 1.4427557246	-1.3092039715	-0.276544
+C	-2.8381846395	 0.3737641804	-1.102696769	-0.289597
+C	-2.1349367129	-0.0932042676	 0.1929030819	 0.368539
+O	-2.8866498816	-0.2319464855	 1.3626808583	-0.478412
+C	-0.9748690973	-1.1152668724	-0.0229889957	-0.431235
+C	 0.0095705582	 0.0724969475	-0.064394622	 0.382805
+O	 1.2021947268	 0.151071243	-0.1472032241	-0.31009
+H	-0.7180144326	 1.8338005024	 2.0969275083	 0.130119
+H	-0.1463089243	 2.8962672274	 0.8012592196	 0.133212
+H	-1.8772179715	 2.8078388796	 1.180558292	 0.121109
+H	-2.0936444381	 2.4692096382	-1.365308955	 0.11608
+H	-1.0576436705	 1.2733315049	-2.1571460153	 0.115446
+H	-3.8065007505	 0.8278371838	-0.8785907332	 0.110269
+H	-2.9699103798	-0.371250378	-1.8924018164	 0.096253
+H	-3.4303782808	-1.0241764412	 1.2885278216	 0.280993
+H	-0.8082330571	-1.7316889457	 0.8665689499	 0.134618
+H	-1.0031441233	-1.7590628397	-0.9069697602	 0.11987
+19
+0 2300	2.2251283	1.6036502	1.4257317	3.677	75.65	-0.23001	-0.0291	0.20090999999999998	1051.6059	0.154379	-422.549268	-422.540114	-422.53917	-422.582887	33.816
+C	-3.2906068025	 0.1735442846	 1.1215987099	-0.497892
+C	-2.2107250135	-0.058948261	 0.0906713789	 0.232151
+C	-2.5619087883	-0.7562199992	-1.233907856	-0.118305
+O	-1.4175828847	-1.6367909683	-1.1432369148	-0.32468
+C	-1.0805920491	-1.1623881796	 0.189936688	 0.28395
+C	-0.9114449114	-2.2594401851	 1.2005067066	-0.489205
+C	-0.0290601029	-0.037933157	 0.0357336619	 0.396321
+O	 1.1662422205	-0.0131826358	 0.0569668398	-0.298676
+C	-1.1233615176	 1.0410236005	-0.1022304944	-0.424828
+H	-3.8770389235	-0.7340098353	 1.2992976179	 0.123885
+H	-2.8662807907	 0.492531236	 2.0797844519	 0.121905
+H	-3.9836809449	 0.9573232077	 0.7936892838	 0.127223
+H	-3.4989694769	-1.3281268423	-1.2122730368	 0.101829
+H	-2.5413886215	-0.1375655366	-2.1391328998	 0.104961
+H	-0.0575082214	-2.8857309313	 0.9228215591	 0.149371
+H	-0.717952434	-1.8475826465	 2.1962028455	 0.124776
+H	-1.8032680153	-2.8916740282	 1.245558178	 0.125481
+H	-1.0741139425	 1.7600251399	 0.7230972584	 0.131918
+H	-1.1366866397	 1.5986827875	-1.043206708	 0.129814
+19
+0 2301	2.0706833	1.8680132	1.6998799	2.0473	73.83	-0.23431	0.06002	0.29433	964.0774	0.155275	-422.503664	-422.495268	-422.494324	-422.535869	32.958
+C	-0.025627456	 0.2126461036	-0.229333821	-0.497168
+C	 1.4320226297	-0.0708752263	 0.0452287802	 0.239716
+C	 1.9828873584	-1.5286795866	-0.0360008856	-0.277583
+C	 3.0661770891	-1.0811233334	-1.0694057753	-0.289031
+C	 2.5682298094	 0.3856126368	-0.9555142353	 0.344759
+O	 2.3409218868	 1.1630302665	-2.0908095342	-0.482491
+C	 3.1643712843	 1.2515291178	 0.1805637455	-0.014825
+O	 3.4691781749	 0.3947707729	 1.2826059081	-0.242414
+C	 2.1107928024	 0.826722607	 1.1173655801	-0.029865
+H	-0.6607905814	-0.1313140498	 0.5957888458	 0.121615
+H	-0.2015637796	 1.2857783627	-0.3634258852	 0.126369
+H	-0.3664574249	-0.2960268553	-1.138293419	 0.108318
+H	 2.3839433913	-1.9183217845	 0.9000209049	 0.11352
+H	 1.2554278556	-2.2399078934	-0.4360871278	 0.091986
+H	 4.1063856261	-1.2579683679	-0.7894599241	 0.113527
+H	 2.8992168194	-1.4853763373	-2.0735923236	 0.087394
+H	 1.8370218278	 0.6414782171	-2.7242883211	 0.282542
+H	 3.7240421558	 2.1754479763	 0.0806983552	 0.105399
+H	 1.6539737607	 1.3379653639	 1.9591700426	 0.098232
+19
+0 2302	2.1120498	1.905289	1.6688984	2.9839	74.	-0.23932	0.06187	0.30119	968.1108	0.155055	-422.496234	-422.487879	-422.486935	-422.528432	32.427
+C	 2.8441319508	 1.514941487	-0.185925504	-0.498365
+C	 2.3205410284	 0.6785356031	 0.9570045538	 0.185363
+C	 1.7577126321	 1.3518412276	 2.2309901246	-0.122173
+O	 0.5141199748	 0.611994964	 2.1343065084	-0.325556
+C	 0.9493525969	-0.0688308479	 0.9434937469	 0.39064
+C	-0.0533265254	-0.0649042409	-0.178313521	-0.488578
+C	 1.7152034307	-1.4081326738	 1.202780739	-0.038876
+O	 2.4807803876	-1.2628406427	 2.3988888099	-0.227059
+C	 3.0079662933	-0.6944469578	 1.2017625815	-0.039228
+H	 3.0037617943	 0.9086269533	-1.0848107416	 0.120579
+H	 2.1486998091	 2.3199720106	-0.4437286676	 0.125952
+H	 3.805035497	 1.975187006	 0.0737821007	 0.125223
+H	 2.2854751639	 1.1454643768	 3.1660828622	 0.113822
+H	 1.5826823943	 2.4299287076	 2.1257129976	 0.093348
+H	-0.9581362213	-0.600586212	 0.1306257179	 0.135109
+H	-0.3386262562	 0.9556790064	-0.447810261	 0.127154
+H	 0.3485624732	-0.5642145893	-1.066453265	 0.120234
+H	 1.448453226	-2.417767478	 0.9060002743	 0.101012
+H	 3.9973555105	-1.0122510999	 0.8893183434	 0.101399
+19
+0 2303	2.1277463	1.8868493	1.6637275	2.41	74.1	-0.233	0.06545	0.29845	964.0888	0.15584	-422.506406	-422.498126	-422.497182	-422.538484	32.699
+C	 0.0204185872	-0.0474773786	 0.1701752662	-0.481497
+C	 1.5119154246	-0.0162006656	-0.014822067	 0.365984
+O	 2.101761685	-1.3309029598	-0.2445990559	-0.339939
+C	 2.6929520582	-0.9097526404	-1.5030474965	-0.143175
+C	 2.2452111727	 0.5378683191	-1.2652734336	 0.337784
+O	 1.6232690725	 1.1445313085	-2.3539735803	-0.472996
+C	 3.0989224673	 1.4432242163	-0.3409367431	-0.158044
+C	 3.8092565464	 0.6736057104	 0.7394388678	-0.297963
+C	 2.3422192808	 0.9284278281	 0.8972111983	-0.092601
+H	-0.2370271724	-0.5856638312	 1.0892602293	 0.130592
+H	-0.3820552467	 0.9679914765	 0.2510244867	 0.113032
+H	-0.4643843926	-0.549357276	-0.6712460883	 0.131197
+H	 3.7676104491	-1.1160241441	-1.5514615766	 0.101992
+H	 2.1869042322	-1.3685919323	-2.3607390084	 0.109955
+H	 1.3770143038	 2.0419280465	-2.1045736722	 0.283321
+H	 3.3911859459	 2.4546062249	-0.6041007494	 0.084111
+H	 4.1619615812	-0.3381313572	 0.5740780464	 0.133507
+H	 4.4535168422	 1.2750411069	 1.3732074701	 0.111938
+H	 1.9363125626	 1.483898798	 1.7352918967	 0.082802
+19
+0 2304	2.1309724	1.8187429	1.706174	0.5418	73.67	-0.21698	0.06264	0.27962	958.3383	0.155924	-422.511697	-422.503298	-422.502354	-422.544144	33.167
+O	 0.6723695186	 1.6461617181	 1.6158214278	-0.4908
+C	-0.6746428669	 1.266796424	 1.5886932779	 0.376765
+C	-0.920885574	-0.2139488135	 1.9715615521	-0.285256
+C	-1.6528629503	-0.4458207644	 0.6011425129	-0.308737
+C	-1.4044736955	 1.0491067986	 0.2298766253	 0.368887
+O	-0.769626298	 1.372408965	-0.972674495	-0.495255
+C	-2.4372071021	 2.1295137189	 0.6208827892	-0.090855
+C	-3.1240712276	 1.8306493704	 1.9196364928	-0.302346
+C	-1.7143713987	 2.3539117124	 1.9626803421	-0.152325
+H	 0.7356804807	 2.5220125194	 1.2157516407	 0.2813
+H	 0.0196616271	-0.7618877781	 2.0583818295	 0.110023
+H	-1.5110165933	-0.3868085829	 2.8737696586	 0.103343
+H	-1.1133324849	-1.1242882574	-0.0653514948	 0.097312
+H	-2.6945330287	-0.7722150525	 0.6512383504	 0.102918
+H	 0.1161389862	 0.9914434722	-0.9388945264	 0.280451
+H	-2.8220800279	 2.8523076344	-0.0884147936	 0.092217
+H	-3.8839646919	 2.5509012465	 2.2078051202	 0.115576
+H	-3.3613056349	 0.8145651246	 2.2197583648	 0.113642
+H	-1.4649571477	 3.2771965042	 2.4755139955	 0.083141
+19
+0 2305	2.5045905	1.5578217	1.2939809	2.7214	78.08	-0.23421	-0.0338	0.20041	1064.3669	0.155597	-422.547903	-422.539201	-422.538257	-422.580539	33.4
+C	 1.7520723223	-0.0560481359	-3.1239721215	-0.511451
+C	 0.7149265034	-0.8420858773	-2.3788665528	 0.245962
+C	-0.5964017204	-1.3832213147	-2.9762566493	-0.281931
+C	-0.484029944	-2.647545699	-2.0597355299	-0.289332
+C	 0.7809692889	-2.0434728424	-1.4716713473	 0.411216
+O	 1.8110057331	-2.8067831419	-1.0108264528	-0.457167
+C	 0.4326282081	-0.6532279972	-0.8582680428	-0.249957
+C	 1.4856685932	-0.0966216356	-0.0130228451	 0.131903
+O	 2.6716141217	-0.3880273276	-0.0903390463	-0.318778
+H	 2.6569632804	 0.0760692765	-2.5264095489	 0.149165
+H	 2.0288658913	-0.5763413321	-4.0476669614	 0.123426
+H	 1.3756572889	 0.9358333341	-3.4006379862	 0.121271
+H	-1.482105797	-0.7545430549	-2.8416852469	 0.100771
+H	-0.494171114	-1.6275045552	-4.0361614453	 0.112447
+H	-1.3020863653	-2.8505212464	-1.3631106736	 0.105228
+H	-0.2674071274	-3.5525251366	-2.6313644896	 0.1219
+H	 2.5003561988	-2.1916504756	-0.6991318575	 0.305379
+H	-0.5836283314	-0.4148248157	-0.5494179551	 0.084505
+H	 1.1468113494	 0.6188852376	 0.7638593123	 0.095443
+19
+0 2306	2.1332874	1.3322277	1.2102375	3.7658	77.97	-0.22892	-0.01852	0.2104	1178.1597	0.154342	-422.531527	-422.522131	-422.521187	-422.565505	34.156
+C	-1.0749421246	-0.5375944059	-2.8048240283	-0.496021
+C	-0.0232525712	-1.0656933358	-1.874920863	 0.179281
+C	-0.2387000131	-2.0851458005	-0.760560882	-0.14243
+O	 1.0895357296	-2.6387285238	-0.965325393	-0.320701
+C	 1.2875542455	-1.7712239579	-2.0914131707	 0.403132
+C	 2.0265965749	-2.3172606186	-3.2683397107	-0.488323
+C	 1.308339295	-0.3209393567	-1.627922709	-0.222038
+C	 1.8198041796	 0.0999850231	-0.3037792779	 0.146139
+O	 2.3157762463	 1.1832203876	-0.0932252103	-0.277184
+H	-1.7282213748	-1.3442070372	-3.1562090676	 0.125885
+H	-1.7028631757	 0.2128844309	-2.3113011846	 0.134342
+H	-0.6253913366	-0.0634775052	-3.6825552695	 0.129344
+H	-0.3989382076	-1.7314898649	 0.2632459349	 0.113585
+H	-1.0041757474	-2.8275791811	-1.0161961987	 0.113875
+H	 1.557784428	-3.2393692084	-3.6255956094	 0.133359
+H	 2.0418594663	-1.5897261962	-4.08445457	 0.130587
+H	 3.0633358091	-2.5437552751	-2.9970692506	 0.142722
+H	 1.5219590807	 0.3957888468	-2.4164949944	 0.104719
+H	 1.7409983261	-0.6584829512	 0.5009476848	 0.089727
+19
+0 2307	2.0549363	1.9596928	1.5875977	0.5268	75.45	-0.24466	0.01364	0.2583	976.4418	0.156213	-422.563235	-422.554824	-422.553879	-422.595552	32.783
+C	 0.0460319934	-0.0828739219	-0.2954354048	-0.461923
+C	 1.5452827081	-0.0062775951	-0.0971143479	 0.367838
+C	 2.1885970451	 1.3661495329	-0.3598726761	-0.314674
+C	 3.4886031117	 1.0167547133	-1.0454594938	-0.063026
+C	 3.620934123	-0.2855230575	-1.2928721582	-0.106925
+C	 2.4483718844	-1.0835886502	-0.8010597854	 0.260352
+O	 1.9550717064	-1.9138876649	-1.8188341422	-0.474731
+C	 2.6033253736	-1.6727758531	 0.6218349333	-0.135104
+O	 1.9510103215	-0.5307052576	 1.2024221671	-0.328097
+H	-0.4643726773	 0.6092588183	 0.3821628306	 0.128775
+H	-0.220813014	 0.1791201328	-1.324065043	 0.127959
+H	-0.3322049304	-1.0889893716	-0.0858740079	 0.105377
+H	 1.5634615419	 2.0206166379	-0.9818256977	 0.103539
+H	 2.3428351446	 1.8833085776	 0.5943675495	 0.123328
+H	 4.2263540498	 1.7701106275	-1.3008853274	 0.098508
+H	 4.4633380393	-0.7608792491	-1.7821295211	 0.100592
+H	 1.2586263246	-2.4677024418	-1.4502133041	 0.281242
+H	 2.0294640515	-2.6014438123	 0.7738503481	 0.080248
+H	 3.6196623626	-1.8163059152	 1.0050200811	 0.106721
+19
+0 2308	2.0588338	1.9453241	1.587304	0.5488	75.41	-0.24145	0.01112	0.25257	977.5674	0.156225	-422.561974	-422.553509	-422.552565	-422.594547	32.777
+C	 0.1578829836	-0.1080780545	-0.7998544334	-0.452207
+C	 1.4910985497	-0.089663647	-0.0851139672	 0.331303
+O	 1.3894131281	-0.6813164041	 1.2498073074	-0.328563
+C	 2.5117523516	-1.550892766	 1.0067641689	-0.13906
+C	 2.6243704713	-1.1066805308	-0.4718123944	 0.309914
+O	 2.3726351954	-2.0845583245	-1.4467982625	-0.480717
+C	 3.8582614382	-0.2850274607	-0.8672899735	-0.317749
+C	 3.4758624694	 1.1226442954	-0.4762151749	-0.07677
+C	 2.2111116224	 1.2334646307	-0.0678739061	-0.11293
+H	-0.564862966	 0.5143437547	-0.2620877413	 0.128838
+H	 0.2578794482	 0.2778737584	-1.818537731	 0.128754
+H	-0.2499151966	-1.1226044002	-0.8493841675	 0.104468
+H	 3.3752199605	-1.3073481679	 1.6390166226	 0.101004
+H	 2.253899786	-2.6089013494	 1.1502159117	 0.091944
+H	 1.6100860476	-2.6047621872	-1.1717807562	 0.283157
+H	 4.7704511666	-0.6294881307	-0.3651506546	 0.108441
+H	 4.0368633537	-0.3800720213	-1.945483883	 0.123067
+H	 4.1811665461	 1.9450899986	-0.5360042675	 0.099465
+H	 1.7311560842	 2.1509513166	 0.2556801825	 0.097642
+19
+0 2309	2.0819849	1.9059713	1.6340064	2.7303	75.1	-0.2424	0.01867	0.26107	966.0772	0.15653	-422.569415	-422.560978	-422.560034	-422.601776	33.226
+O	-1.5121314286	-0.4386617749	 1.8314716339	-0.505008
+C	-1.9672453056	 0.5562942998	 0.9347966573	 0.342948
+C	-2.3450225725	 1.9078878724	 1.6120710415	-0.282315
+C	-0.9699044925	 2.5073034099	 1.2017401566	-0.282854
+C	-0.7348589691	 1.2743340836	 0.2769243182	 0.3695
+O	 0.5131410148	 0.6364800287	 0.3580763117	-0.491984
+C	-1.1820282052	 1.436089459	-1.1504602322	-0.117429
+C	-2.3248965212	 0.7965643432	-1.40263818	-0.060218
+C	-2.8791459947	 0.0607610156	-0.2014494961	-0.345676
+H	-2.1902479636	-0.5975847461	 2.4953681588	 0.283783
+H	-3.1977346101	 2.3954900473	 1.1338993478	 0.104189
+H	-2.5357516135	 1.8425244807	 2.6868889719	 0.091908
+H	-0.9775542909	 3.4912269538	 0.7268772781	 0.097889
+H	-0.2492489914	 2.5148567901	 2.0235532851	 0.101688
+H	 0.474246807	 0.0785223815	 1.1465715713	 0.287874
+H	-0.6039246183	 2.0049578944	-1.870251526	 0.09857
+H	-2.82222382	 0.7785891503	-2.3669875699	 0.095472
+H	-3.9381663413	 0.2853123698	-0.0201487489	 0.097331
+H	-2.7964642033	-1.0271635591	-0.3224920494	 0.114333
+19
+0 2310	2.3155706	1.5230519	1.415802	2.8366	76.08	-0.24922	-0.0365	0.21272	1052.1117	0.155225	-422.540403	-422.531553	-422.530608	-422.574142	32.584
+C	-0.0317117812	 0.1258091741	-0.0561475494	-0.474558
+C	 1.4524039723	-0.0905891135	 0.0643195454	 0.413073
+C	 2.2161568852	-0.9149448392	-1.0056693536	-0.263155
+C	 2.905247324	-1.7459382019	 0.1169245522	-0.307549
+C	 2.2000744716	-0.9122063489	 1.2143909053	 0.144334
+C	 2.8405918295	 0.4470738415	 1.5251112511	-0.134758
+O	 2.1594542464	 1.1064941045	 0.4310659433	-0.321479
+C	 1.4533019954	-1.6043796685	 2.3020834172	 0.064578
+O	 1.1462508074	-1.0968725752	 3.3543850369	-0.256298
+H	-0.4429694698	 0.5333719484	 0.8714524227	 0.139793
+H	-0.228423408	 0.8436010012	-0.8610824046	 0.13571
+H	-0.5516827358	-0.8066405259	-0.2967061129	 0.117836
+H	 1.5722023484	-1.5037914276	-1.6639571952	 0.104671
+H	 2.8758593507	-0.2947936855	-1.6154722082	 0.117342
+H	 2.5879708274	-2.7933095297	 0.1272687015	 0.109218
+H	 3.9972721714	-1.7202881898	 0.1464919867	 0.110457
+H	 2.532422469	 0.853558901	 2.493548488	 0.129595
+H	 3.9315681357	 0.496869805	 1.4265086743	 0.101414
+H	 1.1505837405	-2.6511490003	 2.0651398895	 0.069775
+19
+0 2311	2.2241517	1.5398363	1.4708697	2.7273	75.68	-0.24359	-0.03836	0.20523	1045.7492	0.155082	-422.538099	-422.529192	-422.528248	-422.571913	32.652
+C	 0.006303362	 0.4303915389	-0.0602735263	-0.498639
+C	 1.4707211367	 0.0794363229	 0.0451983846	 0.242817
+C	 2.0437118447	-1.0146923217	-0.9011204202	-0.281218
+C	 2.6344666641	-1.7821722153	 0.3184930851	-0.271375
+C	 2.1499335813	-0.6672249779	 1.2703529588	 0.311609
+O	 3.0864005876	 0.409145163	 1.4452464234	-0.339406
+C	 2.4905577065	 1.186888471	 0.3802223763	-0.121625
+C	 1.4162564489	-1.0281449081	 2.5237797774	 0.083784
+O	 0.7194319168	-2.0085224898	 2.6300263376	-0.262157
+H	-0.3085676478	 1.1088405719	 0.7395546443	 0.122021
+H	-0.2004354834	 0.9226759206	-1.0184826801	 0.124914
+H	-0.6181872666	-0.4671036123	-0.0070778309	 0.13676
+H	 1.2702490579	-1.5713999507	-1.435134047	 0.109863
+H	 2.7693601287	-0.6476325946	-1.6317515091	 0.104147
+H	 2.1265866281	-2.7267053863	 0.5238902516	 0.129753
+H	 3.7155098684	-1.9312186805	 0.3346058729	 0.114864
+H	 2.0453678808	 2.1124703301	 0.7682937359	 0.102927
+H	 3.2135055591	 1.4384688984	-0.4055413225	 0.10356
+H	 1.539514886	-0.2944199897	 3.3510485483	 0.087402
+19
+0 2312	2.2776097	1.5001648	1.4402708	2.1736	76.65	-0.23721	-0.02699	0.21022000000000002	1048.8392	0.155867	-422.549304	-422.54059	-422.539646	-422.582952	32.769
+O	-0.8366712521	 0.8219196132	-0.307890661	-0.46062
+C	-0.096556036	 0.6062147658	-1.4590899364	 0.382126
+C	 0.151048825	 1.9068966878	-2.2522399703	-0.257344
+C	 1.6901294684	 1.6861627403	-2.1970176477	-0.298692
+C	 1.5158236844	 0.313473259	-1.5140275333	 0.192196
+C	 1.1947303973	-0.8701116563	-2.4595918656	-0.291249
+C	-0.3389436147	-0.666647674	-2.2900756146	-0.288657
+C	 2.243247626	 0.0143778278	-0.2567827747	 0.060813
+O	 2.3899086163	-1.0942699887	 0.2072153	-0.271479
+H	-0.9685233124	-0.0213719901	 0.1402523452	 0.28805
+H	-0.2980230527	 1.9217599721	-3.2489171148	 0.103903
+H	-0.1923247781	 2.7835657139	-1.7002448239	 0.120541
+H	 2.2154243621	 1.6648424903	-3.1552234523	 0.104463
+H	 2.1908645614	 2.410589365	-1.5470196622	 0.108295
+H	 1.5698873031	-0.7372638098	-3.4770990735	 0.102341
+H	 1.5598310696	-1.8185666738	-2.0637497794	 0.131984
+H	-0.9412444941	-0.5399218774	-3.1945556745	 0.104969
+H	-0.7918460921	-1.4601488577	-1.6857710466	 0.101417
+H	 2.6126167286	 0.9114943326	 0.2924693056	 0.066939
+19
+0 2313	2.626617	1.9713009	1.6297866	2.5758	74.39	-0.23876	0.08126	0.32001999999999997	917.0713	0.157598	-422.49423	-422.486964	-422.48602	-422.525255	29.96
+C	 0.0220352209	-0.0528515539	 0.2431571419	-0.453937
+C	 1.5171716749	 0.0114393305	-0.0240140858	 0.450991
+C	 1.9572291811	 1.2254126922	-0.8866042632	-0.307117
+C	 2.9040190965	 1.8421666322	 0.1940990507	 0.06233
+C	 2.2708584563	 1.642734688	 1.626190821	-0.341738
+C	 2.5022241298	 0.203799038	 1.1405006672	 0.332329
+C	 2.5275886217	-1.3215946197	 1.2138662792	-0.219774
+O	 2.0274926042	-1.3617267057	-0.1576704239	-0.350823
+O	 3.7095802163	 0.6669372786	 0.4648807104	-0.302021
+H	-0.2104028135	-0.7056907308	 1.0902837976	 0.117124
+H	-0.4041490106	 0.9356805365	 0.4390113771	 0.11354
+H	-0.4802682534	-0.4643279523	-0.6389249702	 0.1331
+H	 2.5509706037	 0.9600879073	-1.7630290931	 0.128908
+H	 1.1153614698	 1.8510829199	-1.194129454	 0.094642
+H	 3.4738006719	 2.7378627751	-0.0545383852	 0.087006
+H	 2.9711973471	 1.9835263439	 2.3890723331	 0.119513
+H	 1.250529985	 1.9710412142	 1.837054971	 0.103933
+H	 3.5192041559	-1.7703404359	 1.3094203528	 0.12509
+H	 1.8257243024	-1.7824277982	 1.9181225634	 0.106903
+19
+0 2314	2.5786642	2.0339815	1.6450183	0.7294	74.3	-0.24165	0.06235	0.304	908.4574	0.157635	-422.481993	-422.47483	-422.473886	-422.512863	29.969
+C	-0.1655409142	 0.121265397	-0.0995137431	-0.444308
+C	 1.3506796208	 0.1851850347	 0.0188816556	 0.373504
+C	 1.9538163441	 0.66958281	-1.3526091166	-0.200774
+O	 2.1466986716	-0.7500669441	-1.7113316653	-0.365244
+C	 2.1770231452	-1.0375827588	-0.3047575105	 0.3939
+C	 1.7377876822	-2.0171466503	 0.8099706974	-0.346331
+C	 2.4446215895	-0.8431370186	 1.6333770955	 0.085706
+C	 3.4860428859	-0.7992146248	 0.5107278351	-0.286041
+O	 1.7210806593	 0.4043717778	 1.3911462548	-0.344331
+H	-0.609833939	-0.4545110057	 0.7143228974	 0.121385
+H	-0.574900182	 1.1362248948	-0.0468415996	 0.123676
+H	-0.4612055663	-0.3185526767	-1.0564624177	 0.132311
+H	 1.2657710871	 1.1600395424	-2.0447029105	 0.11283
+H	 2.9071714518	 1.2028396842	-1.3087340824	 0.116116
+H	 0.6738907397	-2.2069204999	 0.9481469025	 0.112298
+H	 2.3163022941	-2.9373089517	 0.9058835634	 0.112016
+H	 2.6734670061	-0.9438788752	 2.6912336614	 0.094476
+H	 4.0311438223	 0.1379013355	 0.3963935965	 0.105148
+H	 4.1545295119	-1.6608463607	 0.4706944259	 0.103664
+19
+0 2315	2.5852133	1.9861502	1.6527857	1.5842	74.68	-0.23216	0.07594	0.3081	909.2865	0.157948	-422.514711	-422.507402	-422.506458	-422.545689	30.489
+O	 0.0842505692	-0.2433722722	 0.0295809337	-0.486743
+C	-1.0555247773	 0.2620004856	 0.7073247704	 0.39733
+C	-1.792168229	 1.336432213	-0.1625405988	-0.301234
+C	-2.613749281	 0.1581212907	-0.8160118366	-0.347225
+C	-2.2767480546	-0.6432007923	 0.4435676266	 0.410707
+C	-1.9461454542	-1.9635582979	 1.1498982937	-0.338
+C	-2.1035606229	-0.9642831469	 2.3488060427	 0.068227
+C	-0.9684099785	 0.0990353501	 2.2494346414	-0.308682
+O	-3.1345491003	-0.2835765759	 1.5720883872	-0.329177
+H	 0.7504478502	 0.4513041019	 0.0110749001	 0.280393
+H	-2.4272292001	 1.9994721131	 0.4245408383	 0.121992
+H	-1.1553769287	 1.9220087651	-0.8300143758	 0.088843
+H	-3.6727808994	 0.315144539	-1.026541303	 0.110653
+H	-2.107195768	-0.2318797294	-1.6999841234	 0.123668
+H	-2.758812711	-2.6909659745	 1.1510279851	 0.1092
+H	-0.9768957448	-2.4215862689	 0.9467937532	 0.116852
+H	-2.4307043041	-1.2963476678	 3.3343448831	 0.080319
+H	-1.2369452551	 0.9825415256	 2.8333358152	 0.106366
+H	 0.0196082895	-0.2553488883	 2.5539287368	 0.096512
+19
+0 2316	2.6011806	1.9871946	1.6370252	1.0704	74.3	-0.24848	0.07971	0.32819	907.0705	0.158903	-422.503181	-422.496247	-422.495303	-422.533793	29.63
+O	 0.7236595504	 0.1815937699	 0.3764353349	-0.48487
+C	-0.40861015	 0.5612213306	 1.1419607835	 0.415898
+C	-1.6104694657	-0.3653336006	 0.7905857967	-0.222041
+O	-1.1958912684	-1.2699674301	 1.8816190024	-0.376294
+C	-0.5246075957	-0.1460893456	 2.4859195551	 0.39945
+C	-1.2607428934	 0.8569193362	 3.4023198079	-0.286513
+C	 0.0413633778	 1.6564749106	 3.1350911564	-0.033729
+C	 0.7893926201	 0.2509545366	 3.1877727155	-0.318646
+C	-0.175116635	 2.0102323356	 1.622276744	-0.305488
+H	 0.751187532	-0.7837079769	 0.3576226432	 0.283535
+H	-2.6123407226	 0.0366606015	 0.9708625097	 0.111163
+H	-1.5649129336	-0.8596921727	-0.1832961188	 0.109461
+H	-2.2058877126	 1.2915907755	 3.0664635795	 0.091981
+H	-1.349528469	 0.4923298763	 4.4278081091	 0.101412
+H	 0.3613745411	 2.4549173713	 3.8024022081	 0.074657
+H	 1.7142357183	 0.1287502569	 2.6243538456	 0.113752
+H	 0.8966072104	-0.0872040747	 4.2200948696	 0.10415
+H	-1.0215597119	 2.6906176132	 1.4997912076	 0.10537
+H	 0.6963392677	 2.4361400865	 1.1226538701	 0.116752
+19
+0 2317	2.5902414	1.9842535	1.654119	1.2675	73.97	-0.24632	0.06219	0.30851	908.9191	0.158057	-422.478484	-422.471299	-422.470355	-422.50939	29.812
+C	-0.020107066	-0.2445067742	 0.4543356125	-0.478445
+C	 1.3684238279	 0.1293205972	-0.0281944999	 0.263941
+C	 2.2028820764	 0.8933433342	 1.060752114	-0.195682
+O	 3.0173749903	-0.3019888867	 1.3489950547	-0.3473
+C	 2.5987593596	-0.8097553091	 0.0943104808	 0.37748
+C	 3.1987375819	-0.1257184073	-1.1973891611	-0.29369
+C	 1.7119758242	-0.0876804412	-1.5251989423	 0.002926
+O	 1.4280823093	-1.5358976258	-1.6254298157	-0.294409
+C	 2.1020055619	-2.1272170902	-0.4660209618	-0.159763
+H	 0.0148133191	-0.696186099	 1.4528332194	 0.123139
+H	-0.6528987143	 0.6482980903	 0.5227655803	 0.114996
+H	-0.4968021692	-0.9510596424	-0.2277519168	 0.140818
+H	 2.8242074376	 1.7352518876	 0.7441141322	 0.115524
+H	 1.6192498283	 1.1753164656	 1.9400130038	 0.118304
+H	 3.6642576075	 0.8361733605	-0.9934927926	 0.109328
+H	 3.8206001443	-0.7333093658	-1.8555694644	 0.10475
+H	 1.2490871844	 0.39277308	-2.3865063865	 0.077264
+H	 1.3757243662	-2.6394587092	 0.172363543	 0.111988
+H	 2.8677145505	-2.8318649646	-0.8043921096	 0.10883
+19
+0 2318	2.6202811	1.9632216	1.6627812	0.9856	74.27	-0.23345	0.05352	0.28697	911.6316	0.157661	-422.477138	-422.469825	-422.46888	-422.508291	29.942
+C	 0.0166721985	-0.3501916271	 0.2641584852	-0.474244
+C	 1.4426942445	 0.0729638737	 0.0133731268	 0.436475
+O	 1.7176385536	 1.3110107545	 0.7932725083	-0.350221
+C	 2.5204605969	 0.5506259576	 1.7603691895	-0.195983
+C	 2.7215323946	-0.4723987386	 0.6553744268	 0.369893
+C	 3.5112379963	 0.09704398	-0.5731143679	-0.27024
+C	 2.2105767963	-0.3413694158	-1.2787543816	-0.187442
+C	 2.3257745415	-1.8781812722	-0.9371685881	-0.096052
+O	 2.7510792589	-1.8725407082	 0.4760782348	-0.354081
+H	-0.165356878	-0.5482440084	 1.3251861327	 0.125125
+H	-0.6490013229	 0.4667412638	-0.0358537561	 0.132801
+H	-0.2657898609	-1.240201956	-0.3028924997	 0.11788
+H	 3.3904680307	 1.1153860171	 2.106691841	 0.114422
+H	 1.9112304155	 0.2207863504	 2.6100916445	 0.114295
+H	 3.6628164508	 1.172292404	-0.540206435	 0.122838
+H	 4.4263152137	-0.4387413733	-0.8327776709	 0.095533
+H	 1.9441991154	-0.107395876	-2.3122002713	 0.070873
+H	 1.3942174909	-2.4428595159	-1.0276162526	 0.112362
+H	 3.0995931339	-2.3565154297	-1.5446357262	 0.115765
+19
+0 2319	2.6467053	1.9678688	1.6468764	1.3994	74.33	-0.23842	0.06511	0.30352999999999997	908.9936	0.157953	-422.485153	-422.47788	-422.476936	-422.516187	29.842
+C	-0.0107482933	-0.3454298787	 0.2100042988	-0.478431
+C	 1.4058168105	 0.1125768596	-0.0245551198	 0.456518
+O	 1.763086074	 1.1975170924	 0.9021329929	-0.348356
+C	 2.6424804962	 0.3002461754	 1.6493647769	-0.20558
+C	 2.72622755	-0.5966414415	 0.4219070873	 0.179575
+C	 3.4253784791	 0.1383988235	-0.7900296891	-0.2567
+C	 2.0596164714	-0.1035920378	-1.4156169186	 0.008236
+O	 2.0066616268	-1.5698879648	-1.4464151491	-0.297237
+C	 2.5477108656	-1.9856538407	-0.1422498585	-0.17627
+H	-0.1600195932	-0.6922278609	 1.2383078372	 0.116033
+H	-0.6877481818	 0.5014631139	 0.0519707907	 0.130327
+H	-0.2831466456	-1.1475158265	-0.4787826329	 0.139273
+H	 3.559399946	 0.8006985479	 1.9747491335	 0.112178
+H	 2.1224791462	-0.1300101619	 2.5147640249	 0.108231
+H	 3.6476683291	 1.1798860195	-0.5700553676	 0.122408
+H	 4.2677258442	-0.3699179581	-1.2623018282	 0.099483
+H	 1.7076773439	 0.258654861	-2.3821522073	 0.074706
+H	 1.8072960997	-2.5978700589	 0.3821941652	 0.109218
+H	 3.4620468211	-2.5669927035	-0.2989425962	 0.106387
+19
+0 2320	2.6199896	1.9656229	1.6218085	2.5207	74.21	-0.24768	0.06819	0.31587	922.2713	0.157442	-422.495172	-422.487732	-422.486788	-422.526484	30.115
+C	-0.0391538186	-0.0962439424	 0.3827346197	-0.484685
+C	 1.3911342813	-0.0664121531	-0.0904409902	 0.444729
+O	 1.8553701752	-1.4242491876	-0.3840829156	-0.335454
+C	 2.8381142142	-1.3729729544	 0.6927404423	-0.191035
+C	 2.6964534376	 0.1384057886	 0.7101712078	 0.321086
+C	 2.5547275931	 1.4263018473	 1.5045758277	-0.322029
+C	 1.9496356432	 2.2481537762	 0.2880414173	-0.221278
+C	 2.0179867753	 1.1415311098	-0.8237943522	-0.02026
+O	 3.3323715615	 0.6147142374	-0.5344579039	-0.322246
+H	-0.149551176	-0.7267148957	 1.2708036965	 0.124856
+H	-0.4323214993	 0.8975325537	 0.6098393528	 0.12024
+H	-0.6606715836	-0.5347967493	-0.4059968445	 0.138572
+H	 2.4757012665	-1.8920769237	 1.5891925433	 0.102675
+H	 3.8130502927	-1.7611707597	 0.3879554453	 0.122507
+H	 1.8625106558	 1.3385923057	 2.3458074055	 0.106983
+H	 3.500726938	 1.8387851526	 1.8591813234	 0.115205
+H	 0.9505287599	 2.6427400235	 0.486798591	 0.102986
+H	 2.5991165332	 3.0765628265	 0.0008312719	 0.117095
+H	 1.8529660399	 1.4435105347	-1.8603101881	 0.080053
+19
+0 2321	2.6618107	1.9463689	1.7063565	1.2223	73.9	-0.22808	0.07219	0.30027000000000004	899.557	0.158556	-422.497774	-422.490686	-422.489742	-422.52852	29.98
+O	 0.2692526689	 0.7327850303	-0.165555192	-0.495412
+C	-0.8538436269	 0.8817804379	 0.6611648973	 0.432286
+C	-0.5468973956	 1.9480826569	 1.7788266153	-0.310021
+C	-1.3044553828	 3.03174855	 0.901130923	-0.333685
+C	-1.9713500115	 1.8345708432	 0.2276183034	 0.386954
+C	-2.9538125826	 0.9588416504	 1.0670294923	-0.288663
+C	-2.0073491778	-0.1594748121	 0.5554426128	-0.176555
+C	-2.3058984078	 0.0244279848	-0.9686564348	-0.109224
+O	-2.2625865399	 1.4939295698	-1.1261423964	-0.358623
+H	 0.0025384468	 1.0008602929	-1.0553874179	 0.288101
+H	-0.9916264479	 1.7779590194	 2.7588154387	 0.112383
+H	 0.5242854154	 2.1091390465	 1.8902239335	 0.12155
+H	-1.9426230981	 3.7621245904	 1.403320226	 0.104992
+H	-0.6051139993	 3.5495631325	 0.2406720539	 0.12102
+H	-2.9249736281	 1.1293244051	 2.1406176229	 0.109325
+H	-3.9852359549	 0.9417245074	 0.7099738897	 0.103077
+H	-2.0045754472	-1.1888789051	 0.9181776611	 0.07132
+H	-1.5633292554	-0.4333416079	-1.627803674	 0.108254
+H	-3.3032367152	-0.3366607924	-1.2350093048	 0.112921
+19
+0 2322	2.658904	1.9480411	1.6609798	1.5113	74.21	-0.22484	0.07844	0.30328	904.9263	0.158964	-422.505003	-422.498024	-422.497079	-422.535663	29.678
+O	 0.0252279829	 0.2519926704	-0.0977366014	-0.486902
+C	-0.7380994409	 0.6723933941	 0.9882642249	 0.466682
+C	-0.7412424956	 2.2316257058	 1.0692576242	-0.315817
+C	-2.2146932305	 2.245942745	 0.5131146675	-0.328695
+C	-2.3201263523	 0.7710660771	 0.9216257754	 0.22112
+C	-2.2900946432	 0.4628903912	 2.4630032634	-0.27382
+C	-1.0881770569	-0.3844848378	 2.0478232266	-0.015643
+O	-1.7190733855	-1.3812243484	 1.1654147844	-0.319886
+C	-2.6715790326	-0.586722789	 0.3620881054	-0.185859
+H	-0.108077543	-0.7044079121	-0.1590709777	 0.29006
+H	-0.6282706919	 2.6569708834	 2.0669799243	 0.112012
+H	 0.0125439923	 2.6680645282	 0.4134060624	 0.121372
+H	-2.9245595625	 2.9435399119	 0.9645207117	 0.100721
+H	-2.2227176793	 2.3815088737	-0.5715837066	 0.1177
+H	-2.0548787634	 1.3243289415	 3.0855198034	 0.107259
+H	-3.1408796112	-0.0857693871	 2.8704743574	 0.105705
+H	-0.4078434616	-0.923291134	 2.7096018904	 0.073478
+H	-2.4290414287	-0.6958624692	-0.7003331859	 0.10513
+H	-3.685024676	-0.9551021348	 0.5490822202	 0.105385
+19
+0 2323	2.5949072	1.9616502	1.6334955	1.9207	74.47	-0.23166	0.06487	0.29653	918.6903	0.157881	-422.51509	-422.507628	-422.506684	-422.546286	30.591
+O	 0.3510116102	 0.1872309129	 0.9903184559	-0.479981
+C	-0.9121445723	 0.5565261739	 0.5240604323	 0.403176
+C	-1.1736428507	 2.0857345433	 0.2696444188	-0.317145
+C	-2.1924825203	 2.1081982292	 1.4722634021	-0.334973
+C	-2.2184287836	 0.585153492	 1.3801771876	 0.370222
+C	-2.2565114035	-0.7091338275	 2.1767103886	-0.317643
+C	-1.8101153012	-1.6313148356	 0.9710356114	-0.211392
+C	-1.7207200707	-0.5488903323	-0.1513350487	 0.010373
+O	-2.9220266935	 0.2190515709	 0.1349050166	-0.34065
+H	 0.7626104069	 0.9413082769	 1.4230062825	 0.283516
+H	-0.2779462838	 2.6992467115	 0.4066048009	 0.091355
+H	-1.6177915144	 2.32530729	-0.695612716	 0.127434
+H	-1.7297387018	 2.4671356427	 2.396635127	 0.102876
+H	-3.1438453291	 2.6221114728	 1.3212680236	 0.115306
+H	-1.5311115725	-0.7140913001	 2.9943045262	 0.101705
+H	-3.2425924677	-0.9695087102	 2.5668158596	 0.105231
+H	-0.8616515224	-2.1388518683	 1.1552579437	 0.114108
+H	-2.573485713	-2.3681996223	 0.7144550757	 0.104162
+H	-1.6226872966	-0.8863146297	-1.1855781578	 0.072318
+19
+0 2324	2.5906173	1.9571261	1.6729519	0.4924	73.81	-0.23599	0.06769	0.30368	906.7383	0.158693	-422.501424	-422.494293	-422.493349	-422.532221	29.975
+O	 0.7024877381	 0.2987886131	 0.6055921731	-0.487629
+C	-0.6394495877	 0.682157861	 0.7298795429	 0.40707
+C	-1.1109657015	 1.7014252388	-0.365732356	-0.224845
+O	-1.1208478835	 2.8013757113	 0.6102568754	-0.35989
+C	-1.1194045245	 1.8165963811	 1.649511637	 0.396336
+C	-2.4473336287	 0.99667605	 1.8389048814	-0.292212
+C	-1.4655423944	-0.1877685787	 1.696971411	-0.123485
+C	-0.6202321886	 0.0565560792	 3.0053973846	-0.199649
+C	-0.3750684756	 1.630328165	 2.9559875062	-0.311751
+H	 1.2182021554	 1.0571659065	 0.309474095	 0.28559
+H	-0.3622527587	 1.8741025223	-1.1451530575	 0.106313
+H	-2.0898954175	 1.5546589559	-0.8300878828	 0.116841
+H	-2.9643577159	 1.0953874336	 2.7952516445	 0.095766
+H	-3.1504403352	 1.1188776986	 1.0166252846	 0.104062
+H	-1.778322553	-1.2160388244	 1.511912962	 0.065332
+H	-1.2000574527	-0.2348411211	 3.8848667854	 0.098455
+H	 0.3199370388	-0.4939888292	 2.999976403	 0.118752
+H	-0.7967632627	 2.1560181776	 3.8158415985	 0.102992
+H	 0.6876587181	 1.8702272293	 2.8757308017	 0.101951
+19
+0 2325	2.5983456	1.7044239	1.540829	1.5565	74.59	-0.23687	0.0629	0.29977	976.2554	0.156753	-422.500831	-422.492936	-422.491992	-422.532899	30.684
+C	-0.0205850347	-0.1505727547	 0.1770795705	-0.473498
+C	 1.4598656636	 0.0732195978	 0.0314001507	 0.373412
+C	 2.1299204889	 1.3920786782	 0.5100566089	-0.29736
+C	 2.9637683743	 1.4142975445	-0.8022502068	-0.130056
+C	 2.293053338	 1.9910895388	-2.0772569403	-0.109699
+O	 1.8539201299	 0.6687985719	-2.5165363155	-0.326575
+C	 2.285275894	 0.1179747764	-1.2915365893	 0.379608
+C	 2.7655449253	-1.2759780547	-0.9562248646	-0.182882
+O	 2.2537976558	-1.1023945962	 0.3940629046	-0.335466
+H	-0.2869609263	-0.2630229475	 1.234376812	 0.127795
+H	-0.5816785114	 0.6984503238	-0.2261923964	 0.120016
+H	-0.335009213	-1.055798755	-0.3505235827	 0.126366
+H	 1.4471633809	 2.2379026256	 0.6399400324	 0.097781
+H	 2.7196487756	 1.2654762992	 1.4206242583	 0.114916
+H	 4.0450784599	 1.5358087252	-0.7408500441	 0.080101
+H	 1.443780147	 2.663624893	-1.9065680316	 0.106066
+H	 2.9709665099	 2.4384736318	-2.8105418459	 0.114664
+H	 2.2403359891	-2.0801880391	-1.4901758569	 0.108674
+H	 3.8441598832	-1.467380219	-0.9747085233	 0.106138
+19
+0 2326	2.6283475	1.6813237	1.5192878	1.0414	74.7	-0.24356	0.06552	0.30908	978.0465	0.156704	-422.499214	-422.491329	-422.490385	-422.531272	30.641
+C	 0.0033772893	-0.0261766266	-0.1355828121	-0.476594
+C	 1.4996211994	-0.0324525027	 0.0317445402	 0.410821
+C	 2.1626201659	-0.7422807369	 1.2456407227	-0.296438
+C	 3.0542626155	 0.5063922043	 1.4292638312	 0.087983
+O	 2.46457927	 1.5219371385	 2.2848446854	-0.300126
+C	 2.1115523358	 2.3576203705	 1.1497967583	-0.188209
+C	 2.4238362144	 1.213598537	 0.2052540879	 0.205551
+C	 2.8673292121	 0.9664650683	-1.2211331333	-0.199554
+O	 2.2003359416	-0.3221346541	-1.217375346	-0.335889
+H	-0.4903574809	 0.2857178557	 0.7903673525	 0.124516
+H	-0.3018008594	 0.6462587898	-0.9432325293	 0.120903
+H	-0.3487374403	-1.0338776258	-0.3838666542	 0.1322
+H	 1.5085267475	-0.9353964359	 2.0997444637	 0.110115
+H	 2.6922614302	-1.6562449572	 0.965503044	 0.11145
+H	 4.1285156798	 0.3933101641	 1.6051214942	 0.074121
+H	 1.0749570972	 2.7123210072	 1.1971288897	 0.107631
+H	 2.7840528421	 3.223266844	 1.0670501066	 0.102483
+H	 2.4287010849	 1.64267981	-1.9686863336	 0.10236
+H	 3.9443560349	 0.8802268297	-1.4071887578	 0.106674
+19
+0 2327	2.5154192	1.801166	1.5469823	0.8706	74.55	-0.22786	0.05603	0.28389000000000003	969.2074	0.156633	-422.505018	-422.497136	-422.496192	-422.536998	30.821
+C	-0.1142308721	-0.0862242539	 0.0744032634	-0.476657
+C	 1.3819245522	-0.0055111507	-0.0337633589	 0.378497
+C	 2.2472685527	-1.2637239467	 0.3231164417	-0.285885
+C	 2.9240132535	-0.473096877	 1.5004943353	-0.340841
+C	 2.3489525137	 0.789502136	 0.8878295831	 0.390549
+O	 2.0282812422	 2.0274915963	 1.4991554362	-0.338516
+C	 2.2978568612	 2.7353901162	 0.2501361764	-0.117381
+C	 2.8010296623	 1.4381208915	-0.4274473244	-0.005603
+O	 1.8407502838	 0.7136313378	-1.2176928682	-0.347851
+H	-0.4105749022	-0.5937419077	 0.9977900099	 0.121543
+H	-0.556452188	 0.9139974733	 0.0703017711	 0.129302
+H	-0.5272939288	-0.6484403938	-0.7707712091	 0.129742
+H	 1.6823427577	-2.1484543238	 0.6220674002	 0.10824
+H	 2.9319874851	-1.5294260787	-0.4836855926	 0.11749
+H	 2.4539838157	-0.7054965046	 2.4609867606	 0.11859
+H	 4.0088923568	-0.539069406	 1.6135625973	 0.105541
+H	 1.3924219881	 3.1586308953	-0.1960851615	 0.115441
+H	 3.049671745	 3.5178029121	 0.4005502607	 0.109954
+H	 3.8064830812	 1.4359086044	-0.8533336211	 0.087845
+19
+0 2328	2.4829379	1.817304	1.5431117	1.163	74.41	-0.22825	0.05899	0.28724	969.8727	0.156622	-422.504476	-422.496616	-422.495672	-422.53641	30.846
+C	-0.027660662	 0.0717317255	-0.2802474393	-0.47779
+C	 1.4624106738	 0.0148907184	-0.0844989357	 0.30829
+C	 2.2192774938	 1.3033176798	 0.3492844611	-0.135461
+O	 2.7569059984	 0.6393196623	 1.531935146	-0.337908
+C	 2.2641283817	-0.606678258	 1.0816023903	 0.392782
+C	 1.8613897688	-1.8299908536	 1.8861124483	-0.33899
+C	 2.2055648863	-2.6901564259	 0.6161014345	-0.249661
+C	 2.9056027712	-1.4574526011	-0.0404166082	 0.037354
+O	 2.1532737247	-0.7842200217	-1.0774730183	-0.34431
+H	-0.5081449848	 0.6108220169	 0.5418930085	 0.126644
+H	-0.2650847037	 0.5929163814	-1.2148204813	 0.134157
+H	-0.4534504961	-0.9337256137	-0.340682871	 0.128093
+H	 3.0039287152	 1.61288268	-0.3485395089	 0.114114
+H	 1.5993963508	 2.1619773171	 0.6294050305	 0.106286
+H	 2.5574650178	-2.0253127121	 2.7071218425	 0.120263
+H	 0.8404555643	-1.8664675144	 2.2755098349	 0.104205
+H	 2.8598453391	-3.5431027192	 0.8038905934	 0.110438
+H	 1.3364352914	-3.0244078469	 0.0470019042	 0.117086
+H	 3.9705410593	-1.5367123046	-0.2656811814	 0.084409
+19
+0 2329	2.5013896	1.7557441	1.5419969	1.8253	74.48	-0.23968	0.0613	0.30098	971.9573	0.156817	-422.497186	-422.489334	-422.48839	-422.529224	30.566
+C	-0.0498713082	 0.1355774924	-0.1434325742	-0.497654
+C	 1.4569001243	 0.015264216	-0.1140013991	 0.23047
+C	 2.254308561	 1.2702410182	 0.3506133213	-0.144063
+O	 2.7836757723	 0.5762950457	 1.5202683265	-0.328148
+C	 2.2643896869	-0.6402516637	 1.0394859449	 0.382759
+C	 1.83308806	-1.8855791398	 1.7832392767	-0.173404
+O	 2.1826685092	-2.673820065	 0.6101110685	-0.297691
+C	 2.9319010131	-1.5839683447	 0.003234537	 0.050352
+C	 2.1778526768	-0.8957944474	-1.1584346633	-0.319568
+H	-0.4301011648	 0.6324526802	 0.7559481456	 0.121751
+H	-0.3797040929	 0.7198097872	-1.0110797041	 0.121876
+H	-0.5204157859	-0.8507953099	-0.2124370841	 0.12916
+H	 3.0565034098	 1.6021656677	-0.3191323986	 0.104994
+H	 1.6457785086	 2.1303618842	 0.6487560942	 0.109934
+H	 2.4648043437	-2.1402752438	 2.6454727514	 0.110209
+H	 0.7768508389	-1.9882639404	 2.057006354	 0.107728
+H	 3.9996482486	-1.8050354857	-0.0771093425	 0.077573
+H	 2.8167947333	-0.3684025245	-1.87368704	 0.099886
+H	 1.5154139756	-1.5735317365	-1.702751504	 0.113837
+19
+0 2330	2.5605947	1.7016386	1.5129727	2.4095	74.76	-0.23566	0.07226	0.30792	976.9752	0.156804	-422.506633	-422.498622	-422.497678	-422.538884	31.212
+O	 0.0559373529	-0.0415318737	 0.3115562337	-0.483102
+C	-0.5577984341	 1.1706739632	 0.6414037396	 0.357293
+C	-1.1381064654	 1.2803803786	 2.0957438409	-0.282246
+C	-2.5938882343	 1.2606523097	 1.5210802474	-0.343472
+C	-2.0056122507	 1.4456746408	 0.1263665324	 0.283747
+C	-2.4311835622	 1.1416073719	-1.3000552901	-0.182195
+O	-1.7496134322	 2.3318496927	-1.7824845545	-0.294866
+C	-1.4750614512	 2.7921418569	-0.4407101478	 0.084222
+C	-0.0255133744	 2.4931625098	 0.0190696345	-0.321861
+H	 0.9455082614	-0.0455423393	 0.6825930247	 0.279317
+H	-0.8821056459	 0.4213662609	 2.7191329105	 0.10559
+H	-0.8694999315	 2.1986808382	 2.62450328	 0.098265
+H	-3.0687195097	 0.2836827069	 1.6508964362	 0.111864
+H	-3.2849949137	 2.0309610226	 1.8742602054	 0.101187
+H	-2.0348729739	 0.22316702	-1.7475128653	 0.116177
+H	-3.512978767	 1.2015519297	-1.4841358254	 0.097225
+H	-1.9128182137	 3.7745172621	-0.2361175611	 0.068838
+H	 0.6380331414	 2.3383558935	-0.8351401796	 0.113255
+H	 0.423985094	 3.2059003653	 0.7173609688	 0.090764
+19
+0 2331	2.5588115	1.7164611	1.5235787	1.7681	74.38	-0.22296	0.06174	0.2847	974.9641	0.157149	-422.511856	-422.503962	-422.503018	-422.543981	31.021
+O	 0.0795394562	 0.0052128807	 0.593013478	-0.484837
+C	-0.6007954032	 1.2233227101	 0.6069118103	 0.361294
+C	-2.013514908	 1.1049964873	-0.0461493179	-0.262196
+C	-2.7012417841	 1.3339435785	 1.3465689478	-0.333074
+C	-1.3534000608	 1.8135352514	 1.8474893291	 0.420706
+O	-0.8484706915	 1.7828859456	 3.1763129585	-0.339502
+C	-0.1500589694	 3.0417476709	 2.9636636313	-0.105774
+C	-0.7030187024	 3.1874951693	 1.5276346236	-0.134801
+C	 0.1539793127	 2.5633082077	 0.3869739061	-0.326578
+H	 0.6946132304	 0.005158278	 1.3355764638	 0.282838
+H	-2.2321941973	 1.8779808238	-0.7858795793	 0.102131
+H	-2.1831165596	 0.1229428941	-0.4877487775	 0.121245
+H	-3.5460590064	 2.025676199	 1.4015714832	 0.098886
+H	-2.9874243669	 0.3832767488	 1.8060651621	 0.119337
+H	-0.4919702375	 3.8017183494	 3.674936285	 0.109902
+H	 0.9378469326	 2.9293787077	 3.0522057351	 0.099228
+H	-1.2762660888	 4.0892786115	 1.314369775	 0.076446
+H	 0.0478735492	 3.0184526952	-0.6019357697	 0.101916
+H	 1.2216564848	 2.5050354509	 0.6263345756	 0.092833
+19
+0 2332	2.473789	1.7625125	1.526595	0.4467	74.67	-0.22841	0.06365	0.29206	974.0514	0.157101	-422.510794	-422.502951	-422.502007	-422.54284	31.018
+O	 0.5386535693	 0.4160367552	 0.5712556282	-0.472249
+C	-0.4793331451	 1.3650303592	 0.5078736589	 0.290369
+C	-1.9195497087	 0.8843843883	 0.1776207214	-0.157545
+O	-2.4523811778	 1.4612415269	 1.3972714456	-0.331686
+C	-1.1996136626	 2.0544285538	 1.7105047279	 0.409778
+C	-0.6146683791	 2.3063933839	 3.0852276687	-0.325522
+C	 0.1752609782	 3.5001902701	 2.4480499512	-0.231411
+C	-0.7022064694	 3.4289682785	 1.1529351157	-0.085034
+C	-0.0455197418	 2.732773766	-0.070677463	-0.290893
+H	 0.2051860985	-0.3680061823	 1.0220526952	 0.283515
+H	-2.3830562697	 1.3051407836	-0.7224810993	 0.10688
+H	-2.0361666464	-0.2076578726	 0.1661460543	 0.09549
+H	-1.3746166959	 2.6543333704	 3.791633849	 0.114409
+H	-0.0438238984	 1.4965175444	 3.5495522183	 0.096099
+H	 0.1065854005	 4.4409575212	 2.9961812516	 0.107802
+H	 1.2295759862	 3.2771713456	 2.268373587	 0.110922
+H	-1.367014704	 4.2763111325	 0.9846214238	 0.069395
+H	-0.479712011	 2.976029638	-1.0445265097	 0.099551
+H	 1.0404364272	 2.8425082771	-0.1329294045	 0.11013
+19
+0 2333	2.6856087	1.6934492	1.3007337	1.6301	77.63	-0.23879	0.00979	0.24858	1028.1907	0.157525	-422.530515	-422.522551	-422.521606	-422.562492	31.057
+C	-0.1158951243	 1.5440161706	-0.0277174329	-0.439917
+C	 0.0125648172	 0.0306460574	 0.0656149686	 0.387768
+C	-1.3436492146	-0.6755977097	-0.0145369786	-0.151211
+O	-1.9694146897	-0.469686579	 1.2515640819	-0.260069
+C	-1.3424213644	-1.1027040475	 2.36086827	-0.097536
+C	 0.1633171182	-1.1548980209	 2.2718468455	-0.244876
+C	 0.7443836484	-0.5651946448	 1.239892109	 0.192047
+C	 1.9445549548	-0.7288779682	 0.3450449483	-0.166245
+O	 1.0882748232	-0.4560857671	-0.803110569	-0.348548
+H	 0.8179617014	 2.0429029935	 0.2452302514	 0.115006
+H	-0.3674183818	 1.8264235138	-1.0557546219	 0.122817
+H	-0.9099714875	 1.8943426908	 0.6372931352	 0.134182
+H	-2.0235370303	-0.241049233	-0.7530837524	 0.106408
+H	-1.1977261671	-1.7413780067	-0.239375715	 0.098725
+H	-1.6927070603	-0.5578835534	 3.2458569465	 0.122715
+H	-1.7093489936	-2.1401179587	 2.459469148	 0.104047
+H	 0.692291518	-1.7890776186	 2.9778736657	 0.098156
+H	 2.7359023248	 0.0271820143	 0.4413479598	 0.108461
+H	 2.4011510677	-1.7239254426	 0.3034218001	 0.11807
+19
+0 2334	2.708511	1.6842952	1.2885944	1.7576	77.9	-0.24004	0.0127	0.25274	1030.2917	0.158067	-422.544311	-422.536451	-422.535507	-422.576196	31.215
+O	 0.1801112259	 1.3616484262	-0.013371687	-0.493211
+C	 0.0501946654	-0.0532495677	-0.0124037383	 0.381154
+C	 0.1434157028	-0.568559118	-1.4754862365	-0.280597
+C	-1.426574186	-0.6445136855	-1.5183878209	-0.328695
+C	-1.3848094548	-0.5556648851	-0.0084900871	 0.29805
+C	-1.978125414	-1.0667287289	 1.059960757	-0.266638
+C	-1.2479756737	-1.0166346331	 2.3820197693	-0.11151
+O	 0.0059270983	-0.3460321756	 2.3275459143	-0.271553
+C	 0.7859854929	-0.6652660272	 1.1695791845	-0.170598
+H	-0.0900904306	 1.6510795043	 0.8673096944	 0.279155
+H	 0.6259799195	 0.1196465099	-2.1709885193	 0.114693
+H	 0.6078680374	-1.5548750773	-1.5446609282	 0.105705
+H	-1.855710883	 0.2454483863	-1.9884324051	 0.123639
+H	-1.8834170346	-1.5333646986	-1.9606129324	 0.108054
+H	-2.9239261218	-1.6029211392	 1.0298433669	 0.091875
+H	-1.8301598143	-0.4902031913	 3.147748191	 0.120628
+H	-1.1051734474	-2.050488958	 2.7467903717	 0.10099
+H	 0.9021481742	-1.7536151967	 1.057706805	 0.088027
+H	 1.7673233638	-0.2106733146	 1.3317048806	 0.110834
+19
+0 2335	2.7148295	1.5057691	1.2898672	1.957	74.53	-0.23983	-0.02219	0.21764	1059.2553	0.156899	-422.580911	-422.572661	-422.571717	-422.613621	31.475
+C	-3.2570588606	-1.5338922669	-0.6568287091	-0.457684
+C	-2.1950726133	-0.7406747077	 0.0765024865	 0.425576
+C	-2.2894800383	 0.7859734839	-0.0848620334	-0.2574
+C	-0.8858038626	 1.3166209865	 0.2480900089	-0.333052
+C	 0.0644717233	 0.1902658192	-0.1753130251	 0.404569
+O	 1.209976885	 0.3170285399	-0.5233387937	-0.319618
+C	-0.6995101302	-1.1281375349	-0.0951033015	-0.223658
+C	-0.8256669282	-1.6574862758	 1.352867008	-0.092801
+O	-2.1451914238	-1.1017960696	 1.4921062903	-0.326704
+H	-4.2521038419	-1.256187435	-0.2932755729	 0.129261
+H	-3.2181454671	-1.3381985619	-1.7334476866	 0.11908
+H	-3.1248814753	-2.6072592053	-0.4934637234	 0.123262
+H	-2.5504915394	 1.0240934909	-1.1227428375	 0.10563
+H	-3.0741869767	 1.1917278811	 0.5593060746	 0.116678
+H	-0.6171368556	 2.2572386349	-0.2353851496	 0.127
+H	-0.7724448698	 1.4565881188	 1.3305072353	 0.140831
+H	-0.3939365208	-1.8388570107	-0.8620295062	 0.096018
+H	-0.8280467432	-2.7525296437	 1.4218202026	 0.109963
+H	-0.1210597915	-1.2563338836	 2.0907094428	 0.113048
+19
+0 2336	2.61571	1.5997602	1.2705568	2.2064	74.68	-0.23724	-0.02692	0.21032	1055.5826	0.156437	-422.573784	-422.565473	-422.564528	-422.606745	31.653
+C	-3.2087287842	-1.3368024739	 1.1522134304	-0.45445
+C	-2.2929327052	-0.7055337123	 0.1265205084	 0.433969
+C	-2.5323754637	-1.1348305042	-1.3596995476	-0.283037
+C	-1.1710045309	-1.8847339531	-1.3482408142	-0.230137
+C	-0.8299500449	-1.2080157635	 0.0148537027	-0.213857
+C	-0.0286546658	 0.0786836732	-0.1315226645	 0.377944
+O	 1.1575419798	 0.1846238849	-0.3005361295	-0.306798
+C	-1.0252416657	 1.2430602076	-0.0481282712	-0.202716
+O	-2.2648990702	 0.7063834104	 0.3635958385	-0.299898
+H	-3.2690816397	-2.419579219	 1.0059040612	 0.116898
+H	-2.8468727643	-1.1387792593	 2.1654895392	 0.123487
+H	-4.2173048812	-0.921394865	 1.0601673488	 0.129933
+H	-3.4224169364	-1.7401225067	-1.544811366	 0.105651
+H	-2.5529383805	-0.2756098469	-2.0344382136	 0.11183
+H	-1.2780688018	-2.9663517949	-1.2443249817	 0.114779
+H	-0.4798788699	-1.6839122178	-2.1694950954	 0.118248
+H	-0.4090965556	-1.8380047095	 0.8013698846	 0.098804
+H	-0.6882616957	 1.9953376212	 0.6726434061	 0.137131
+H	-1.0858977843	 1.7303474188	-1.035058036	 0.12222
+19
+0 2337	2.6858	1.5905075	1.260454	4.4648	74.26	-0.25846	0.01148	0.26994	1055.6493	0.158073	-422.598527	-422.590459	-422.589515	-422.631064	30.827
+C	-2.9607330404	-1.5129448525	 1.4515992221	-0.482093
+C	-2.2578060267	-0.7578497125	 0.3347427467	 0.324109
+C	-2.675507008	-1.186449434	-1.1122802026	-0.278369
+C	-1.2940748244	-1.8736466574	-1.3003022117	-0.22187
+C	-0.7977499675	-1.157591308	-0.0142833173	-0.217455
+C	-0.1109519239	 0.1675597844	-0.3127245373	 0.435813
+O	 0.9888877921	 0.3458168413	-0.7496532234	-0.34495
+O	-0.955450906	 1.2041759703	-0.0381078781	-0.225982
+C	-2.176693343	 0.7549069216	 0.5703407506	-0.140345
+H	-2.9578095819	-2.5913355998	 1.2630000003	 0.123487
+H	-2.4752350995	-1.3394226029	 2.418292674	 0.121412
+H	-4.007257728	-1.1980861056	 1.5396418654	 0.122864
+H	-3.5538272387	-1.8326808327	-1.176778399	 0.104639
+H	-2.8237134957	-0.3342454039	-1.7812633696	 0.113503
+H	-1.3392693824	-2.956722071	-1.1675560633	 0.111355
+H	-0.7408298016	-1.6574760403	-2.2161308913	 0.124372
+H	-0.2030898759	-1.7384864112	 0.6938490314	 0.099727
+H	-2.1399088242	 1.0017495224	 1.6388031018	 0.109853
+H	-3.0029421142	 1.3077805318	 0.1132464013	 0.119927
+19
+0 2338	2.5926904	1.514602	1.3102962	3.8972	74.51	-0.2312	-0.03053	0.20067	1061.4529	0.15716	-422.570399	-422.562149	-422.561205	-422.603184	31.305
+C	-3.2346852669	-1.5446974393	 0.8730967771	-0.482584
+C	-2.2537107357	-0.8126525493	-0.0267637529	 0.272633
+C	-2.2052792966	-1.2670915578	-1.5061815042	-0.11068
+O	-0.7946245174	-1.570820234	-1.4220881066	-0.296504
+C	-0.7564542155	-1.2315423385	-0.0133618538	-0.012013
+C	 0.0590050649	 0.0546244729	 0.1714256749	 0.409194
+O	 1.1864480395	 0.124476437	 0.5840242564	-0.307667
+C	-0.8523397605	 1.2163534843	-0.2296814239	-0.335815
+C	-2.2622998853	 0.7263213464	 0.1535816664	-0.279126
+H	-3.0339789425	-1.3345582921	 1.9292345805	 0.122805
+H	-4.2641989595	-1.2309992282	 0.6637686588	 0.122054
+H	-3.1796693793	-2.6282557338	 0.7278385286	 0.124268
+H	-2.794652299	-2.163199593	-1.7377345111	 0.103618
+H	-2.4178898371	-0.4968479755	-2.2584120226	 0.101543
+H	-0.4143030415	-2.0600302359	 0.6134548087	 0.085922
+H	-0.5445376327	 2.1459609304	 0.2512988884	 0.127271
+H	-0.761359485	 1.3568783737	-1.3140730593	 0.139665
+H	-2.457854283	 0.961980801	 1.2061955495	 0.108894
+H	-3.056492377	 1.1975863415	-0.4336650248	 0.106524
+19
+0 2339	2.5938921	1.5012843	1.2695914	2.0383	74.49	-0.2323	-0.01823	0.21407	1063.6889	0.157149	-422.583819	-422.575548	-422.574604	-422.616888	31.885
+O	-3.2354701637	-1.5031779271	 0.5807019433	-0.486074
+C	-2.272757246	-0.7898519398	-0.155920972	 0.435236
+C	-2.2737943691	-1.2655027951	-1.6310833421	-0.259392
+C	-0.7891429087	-1.7034432865	-1.5051280104	-0.230204
+C	-0.7603659364	-1.2058327842	-0.0198092127	-0.192982
+C	 0.0175533824	 0.08632522	 0.1585781635	 0.398554
+O	 1.1517609753	 0.1918814619	 0.5516450686	-0.322339
+C	-0.9054024737	 1.2514324971	-0.2289999557	-0.33092
+C	-2.3219780061	 0.7361643339	 0.0725095631	-0.290856
+H	-3.1720148688	-1.2377038407	 1.5050250706	 0.274607
+H	-2.9738881416	-2.0878439838	-1.7861975714	 0.121117
+H	-2.479575837	-0.4860702097	-2.3695342629	 0.098868
+H	-0.628659642	-2.7786820355	-1.5946712907	 0.119357
+H	-0.0857767921	-1.1981134946	-2.1713277426	 0.110905
+H	-0.494511363	-1.9579752456	 0.7233732547	 0.090343
+H	-0.6240410184	 2.1654516489	 0.2968559178	 0.128241
+H	-0.7748049317	 1.4417006168	-1.3029088646	 0.130332
+H	-2.5571344177	 0.9190863909	 1.1300660098	 0.094516
+H	-3.1058376016	 1.2159463731	-0.5204639264	 0.110689
+19
+0 2340	2.8945763	1.2592002	1.1263844	1.2081	75.9	-0.24513	-0.02492	0.22021	1158.517	0.155427	-422.538438	-422.529731	-422.528787	-422.572288	32.016
+C	 4.2394131014	 1.1083031256	-2.8742278503	-0.472903
+C	 2.9214347439	 1.5793670188	-2.3199861811	 0.462418
+C	 2.8691959497	 2.25079779	-0.9222131977	-0.302331
+C	 1.5913631334	 1.3907854028	-0.5900908254	-0.090013
+C	 1.7970639426	 0.499564147	 0.6035575957	 0.135247
+O	 1.9282289057	-0.6981581917	 0.5637095794	-0.24467
+C	 1.6773428792	 0.7008853087	-1.9704386913	-0.138648
+C	 0.9906958258	 1.4718546573	-3.1026231857	-0.100788
+O	 2.1417611389	 2.3301911901	-3.2865259281	-0.329538
+H	 4.7663961797	 0.4803327776	-2.1490520974	 0.1232
+H	 4.0908663988	 0.5334185834	-3.792898377	 0.12619
+H	 4.8765899431	 1.9682185093	-3.1107600964	 0.129332
+H	 3.7277665814	 2.0180767664	-0.2843770466	 0.10926
+H	 2.7237761462	 3.3316588323	-0.9522953671	 0.118942
+H	 0.6922609194	 1.9941958838	-0.4166087694	 0.094701
+H	 1.8529108607	 1.0481188586	 1.572879355	 0.078051
+H	 1.6638094957	-0.3869585874	-1.9696349946	 0.099737
+H	 0.7903390707	 0.8775746483	-4.0032906577	 0.104065
+H	 0.0860234137	 2.035910249	-2.8416573144	 0.097748
+19
+0 2341	2.8456517	1.301647	1.1118271	2.2086	75.65	-0.24027	-0.03049	0.20978000000000002	1162.65	0.15493	-422.538548	-422.529695	-422.528751	-422.572756	32.363
+C	-2.0146223722	 0.3448126708	-0.9806661773	-0.472706
+C	-0.8049815697	 1.1804157465	-1.3001761936	 0.453276
+C	-0.83083405	 2.1741098895	-2.4923547757	-0.27181
+C	 0.5665418373	 1.6518063166	-2.9526312755	-0.243885
+C	 0.6052227343	 0.6732944299	-1.7517061935	-0.132153
+C	 1.0862545613	 1.3008066399	-0.4374184321	 0.033549
+O	-0.2295410404	 1.8007633735	-0.1109221497	-0.34445
+C	 1.5580089062	 0.3404300375	 0.6377950216	 0.129422
+O	 2.2352601014	-0.6326976091	 0.4299991283	-0.241782
+H	-1.7834253049	-0.4077587967	-0.2209189108	 0.125261
+H	-2.8204666725	 0.9804812103	-0.596081943	 0.131444
+H	-2.3815466489	-0.1641474179	-1.8774917867	 0.120612
+H	-1.631476255	 1.9836039381	-3.2118964688	 0.103236
+H	-0.8787552704	 3.2187423754	-2.1785189105	 0.11223
+H	 0.5356471005	 1.1380783768	-3.9158378533	 0.109367
+H	 1.3744194813	 2.3874529072	-2.9854795258	 0.103822
+H	 0.8762074025	-0.3679929023	-1.9187206904	 0.094905
+H	 1.8295933425	 2.1089685988	-0.5306950695	 0.099171
+H	 1.2043620569	 0.6148838752	 1.6574532762	 0.090491
+19
+0 2342	2.8618568	1.3219249	1.0825166	1.5369	76.23	-0.24452	-0.02677	0.21775	1159.3241	0.155635	-422.53446	-422.52576	-422.524816	-422.568407	31.88
+C	 2.7497014106	 2.596685055	-2.8245637191	-0.501212
+C	 1.4976889876	 2.4794499709	-1.9872580408	 0.308886
+C	 0.1496723693	 2.9200510024	-2.6016991314	-0.122143
+O	-0.4857635262	 1.6661835478	-2.2451388692	-0.289672
+C	 0.7296904885	 1.1552497502	-1.6874216051	 0.058575
+C	 0.8513996329	 1.4329425861	-0.1462537906	-0.101893
+C	 1.5926569718	 2.7604558475	-0.4598284653	-0.317766
+C	 1.6582185666	 0.3833318109	 0.5678368684	 0.130229
+O	 2.8226884675	 0.4849457652	 0.8661941639	-0.242502
+H	 3.5815013034	 2.050642062	-2.3681196697	 0.1327
+H	 2.5949825656	 2.2010283628	-3.8342463683	 0.120137
+H	 3.0564129412	 3.6454066888	-2.9196427064	 0.123446
+H	-0.3432986717	 3.7838703103	-2.1385873843	 0.101495
+H	 0.1656273743	 3.0552632701	-3.6906813306	 0.103177
+H	 0.9843095517	 0.1590400421	-2.0621599836	 0.081578
+H	-0.1386915468	 1.5044196261	 0.3133995982	 0.100642
+H	 1.1063876	 3.675422307	-0.1135674689	 0.1014
+H	 2.6174219379	 2.7325525497	-0.0826703555	 0.131603
+H	 1.0982707759	-0.5570641949	 0.7758325582	 0.081321
+19
+0 2343	3.134423	1.1260597	0.972588	3.5178	76.58	-0.24296	-0.02087	0.22209	1246.9162	0.155494	-422.542225	-422.53335	-422.532406	-422.576504	32.758
+O	 2.206272808	 3.8566626389	-1.5586989687	-0.479763
+C	 1.1204165699	 3.0230368346	-1.2755358434	 0.427143
+C	-0.1264043348	 3.1401508912	-2.2068155979	-0.292853
+C	 0.0670138664	 1.65359455	-2.6461303062	-0.224772
+C	 1.2070754589	 1.4997305516	-1.6142137679	-0.089373
+C	 0.7054532694	 1.1735408184	-0.1625147273	-0.067363
+C	 0.8179553984	 2.6936247187	 0.204199235	-0.327765
+C	 1.6159702096	 0.2763316735	 0.6272737615	 0.157548
+O	 1.2796737808	-0.7343080822	 1.1895069404	-0.25837
+H	 1.9342803864	 4.7705306829	-1.4158563976	 0.278357
+H	-1.0679579489	 3.3661905832	-1.6987214757	 0.098485
+H	 0.0222757392	 3.8620817067	-3.0129839246	 0.106675
+H	-0.790704548	 0.9895199732	-2.5145164804	 0.105941
+H	 0.4175246121	 1.5639063626	-3.6767666617	 0.111231
+H	 2.1361399818	 1.0192670238	-1.9239409945	 0.080394
+H	-0.3065297486	 0.7651137113	-0.1264819505	 0.088796
+H	-0.0584170843	 3.1502506188	 0.6720235901	 0.102474
+H	 1.7000654409	 2.8919113439	 0.8217822188	 0.11071
+H	 2.6769152127	 0.6241956189	 0.6587113406	 0.072505
+19
+0 2344	3.1691101	1.4032935	1.182331	2.6347	75.33	-0.24395	0.06261	0.30656	1098.8048	0.155752	-422.504971	-422.496715	-422.495771	-422.537706	31.66
+C	 0.0443834063	-0.595604767	-0.3631545681	-0.476147
+C	 1.4622255385	-0.1822314527	-0.0744904381	 0.449798
+C	 2.1682617104	-0.6790458671	 1.2220527687	-0.368968
+C	 3.394856771	-1.0347801263	 0.3656467607	 0.461102
+C	 4.3669214555	-2.1139958532	 0.5406291649	-0.273015
+O	 4.7352207788	-0.7388060613	 0.7186843079	-0.268854
+C	 2.7354987634	-0.5378676652	-0.9200567393	-0.237442
+C	 2.8493412636	 0.982629631	-1.1118144253	-0.088923
+O	 1.6919312489	 1.2331512911	-0.2791685918	-0.328146
+H	-0.638829292	-0.1108434191	 0.3434245876	 0.132039
+H	-0.2493288786	-0.3005194005	-1.3746630142	 0.124601
+H	-0.0758530848	-1.6791136479	-0.2633945228	 0.116682
+H	 2.3287902577	 0.1125456121	 1.9569727636	 0.124221
+H	 1.6950279181	-1.5395755595	 1.7043140529	 0.104061
+H	 4.3505906561	-2.7139609052	 1.4502226974	 0.116247
+H	 4.7996395056	-2.6037943676	-0.3313902016	 0.11476
+H	 2.7497016747	-1.1786601402	-1.8015047985	 0.078125
+H	 3.7609703097	 1.4469595095	-0.7196843797	 0.118862
+H	 2.679525167	 1.325647859	-2.1394835342	 0.100997
+19
+0 2345	2.9325896	1.5310159	1.2225654	1.3393	75.86	-0.23031	0.06099	0.2913	1080.8551	0.155525	-422.499669	-422.491352	-422.490408	-422.53239	31.921
+C	-2.9214962782	-0.1877147512	 0.4909616233	-0.483549
+C	-1.6615420824	-0.9690174646	 0.2470520212	 0.395119
+C	-1.6928601235	-2.4958492994	 0.0214313288	-0.121254
+O	-0.7962552769	-2.3880519409	-1.1138236434	-0.29061
+C	-0.7203266615	-0.9576043946	-0.9838939928	-0.102666
+C	 0.3315594158	-0.4856291575	 0.0018257067	 0.451726
+C	 1.3316464501	 0.617857283	-0.1196090589	-0.342498
+C	 1.7764928799	-0.8236025691	 0.0972233895	-0.332209
+O	-0.5690971049	-0.5767901032	 1.1183506404	-0.354402
+H	-3.3050901032	-0.3975609223	 1.4958444121	 0.134024
+H	-2.7299814243	 0.8864572371	 0.4207296812	 0.131606
+H	-3.695300902	-0.4580568652	-0.2337977407	 0.124461
+H	-1.2720725554	-3.0859269566	 0.842272917	 0.112205
+H	-2.664127744	-2.9078010589	-0.2805859981	 0.099562
+H	-0.8541508588	-0.4308428873	-1.930925851	 0.08558
+H	 1.4862553461	 1.0731928707	-1.0927903237	 0.115833
+H	 1.416564122	 1.2973674337	 0.7216492058	 0.12471
+H	 2.2321612875	-1.3664154721	-0.7239522965	 0.125861
+H	 2.1547135237	-1.0817310814	 1.0804427989	 0.126499
+19
+0 2346	2.9923669	1.4346399	1.1743632	1.9826	75.32	-0.24142	0.05169	0.29311	1103.5591	0.155896	-422.498902	-422.490622	-422.489677	-422.531769	31.545
+C	 0.2585859577	-0.6390134213	-0.566753739	-0.498281
+C	 1.5520031352	-0.2121054951	 0.0874843291	 0.299969
+C	 2.1626071669	-1.1156093018	 1.1824869818	-0.119872
+O	 3.4526323742	-1.1468397836	 0.5266378624	-0.288891
+C	 2.9760838807	-0.3224684391	-0.5546903833	-0.037755
+C	 3.191581567	 1.1686173945	-0.2849462111	 0.44909
+C	 4.4437411796	 1.877506781	-0.0361610936	-0.258093
+O	 3.7005560944	 2.0731470914	-1.2502608056	-0.270711
+C	 1.7936270651	 1.3107725799	 0.3359524272	-0.39397
+H	-0.5889796727	-0.5045101376	 0.1163045073	 0.122538
+H	 0.0538845483	-0.0478145236	-1.4654940594	 0.124449
+H	 0.288471576	-1.6945887322	-0.8570552586	 0.123015
+H	 2.2166271659	-0.6918726651	 2.1934745865	 0.099112
+H	 1.7253151552	-2.1207906733	 1.2393483655	 0.101108
+H	 3.2186277565	-0.7163939577	-1.5457866594	 0.082639
+H	 4.4541851024	 2.7286185685	 0.6434413555	 0.115743
+H	 5.391254248	 1.3523671871	-0.1451060552	 0.124452
+H	 1.743782406	 1.6496364974	 1.3746617726	 0.105606
+H	 1.1461179536	 1.9461941006	-0.2753418525	 0.119851
+19
+0 2347	2.9834851	1.4289311	1.1679216	1.8559	75.28	-0.24702	0.06449	0.31151	1096.4983	0.156295	-422.511587	-422.503442	-422.502498	-422.544246	31.928
+O	-1.9867708353	 0.3091724921	-2.9587645245	-0.476743
+C	-1.1008082763	-0.4219200295	-2.168657822	 0.427878
+C	-1.1472682366	-1.9663107581	-2.1920978893	-0.293441
+C	-0.9320172557	-1.9948964821	-0.6479282339	-0.229131
+C	-1.0655509237	-0.4462175985	-0.5737705159	-0.215752
+C	 0.2791850379	 0.265268776	-0.6457847012	 0.478552
+C	 0.8403028843	 1.2804729516	 0.2450964875	-0.272047
+O	 1.379997233	-0.0487193782	 0.1925686713	-0.274452
+C	 0.3208333477	 0.1989040107	-2.1790871609	-0.364842
+H	-2.8592936634	-0.0927510359	-2.8898002227	 0.277486
+H	-2.1431292649	-2.3295386175	-2.4707427314	 0.089916
+H	-0.4118863638	-2.4737165293	-2.8233385184	 0.103039
+H	-1.7040745587	-2.537378321	-0.0996060651	 0.102443
+H	 0.0426888583	-2.3624405917	-0.3203081747	 0.122693
+H	-1.8426304503	-0.0333991578	 0.0710196399	 0.066654
+H	 1.483113503	 2.0618292634	-0.1599315645	 0.11411
+H	 0.3237387777	 1.5375304266	 1.1695180644	 0.11331
+H	 0.339163648	 1.1728106981	-2.6734375318	 0.119813
+H	 1.1103897991	-0.4335902888	-2.5936124668	 0.110512
+19
+0 2348	3.0370725	1.4307379	1.1766994	2.4186	75.53	-0.23812	0.0564	0.29452	1095.0238	0.156329	-422.505116	-422.496893	-422.495949	-422.537879	31.943
+O	-3.0263142056	-1.0431554098	 0.5376945733	-0.472613
+C	-1.6566242017	-0.9454518868	 0.3190858789	 0.374944
+C	-0.9743902654	-2.3144290737	 0.1598752222	-0.108058
+O	-0.3289636222	-1.9197341172	-1.0728896504	-0.284097
+C	-0.9110436588	-0.6027288087	-1.0224515525	-0.068966
+C	-0.0617495732	 0.4065783527	-0.2455302789	 0.380668
+C	 0.4239334347	 1.7346995283	-0.7532753671	-0.332644
+C	 1.4064777388	 0.6336788531	-0.4331468473	-0.307656
+C	-0.8248186487	 0.1323349607	 1.0650611765	-0.410414
+H	-3.3861441109	-0.1567327649	 0.6461748612	 0.28203
+H	-0.2584317264	-2.6034713	 0.9387396988	 0.099657
+H	-1.6933958637	-3.1254737089	-0.002816772	 0.112334
+H	-1.363506893	-0.3029560013	-1.9718083156	 0.0734
+H	 0.2443737414	 1.9763680838	-1.7963804833	 0.114758
+H	 0.3713369532	 2.58719148	-0.0827521441	 0.109932
+H	 1.8929057973	 0.1152133985	-1.2524866684	 0.12609
+H	 2.0204690738	 0.7423210466	 0.4552488441	 0.112135
+H	-0.2444836338	-0.2141473166	 1.9258740629	 0.105813
+H	-1.4446729459	 0.979160724	 1.3848009917	 0.092685
+19
+0 2349	2.7459943	1.6862368	1.4010776	0.7071	73.54	-0.2465	0.07872	0.32522	993.4686	0.157644	-422.5419	-422.534214	-422.53327	-422.573948	30.071
+C	-0.0676796104	 0.0491699766	 0.0355783292	-0.457077
+C	 1.4337707839	 0.2024892219	-0.0958879167	 0.44794
+C	 1.978101477	 0.0944022483	-1.5396993592	-0.298399
+C	 3.0120082548	 1.1983106456	-1.6568665847	 0.048489
+O	 2.4307474831	 2.5081688595	-1.5543136392	-0.264676
+C	 3.096092929	 1.9707024903	-0.4070164675	 0.029512
+C	 2.1317753354	 1.4111733418	 0.6090477953	-0.15671
+C	 2.7158521669	 0.3476824324	 1.5546495522	-0.097235
+O	 2.1414510158	-0.7242392993	 0.7841027127	-0.324808
+H	-0.3810026087	 0.1453107159	 1.0792089807	 0.118047
+H	-0.5830666914	 0.8120344155	-0.5570467972	 0.125386
+H	-0.3817121797	-0.9365126865	-0.324171241	 0.125946
+H	 2.424569958	-0.895031094	-1.6775321767	 0.117676
+H	 1.1935812437	 0.2253106542	-2.292107939	 0.109059
+H	 3.8433495747	 1.117173222	-2.3527955393	 0.095594
+H	 3.9960181057	 2.4966239868	-0.0937284134	 0.096849
+H	 1.493110271	 2.174226802	 1.0579533745	 0.086279
+H	 3.8108452876	 0.2859244717	 1.5973967696	 0.097828
+H	 2.3234125439	 0.3736241754	 2.5790793997	 0.1003
+19
+0 2350	2.6720552	1.7866208	1.4141037	0.9282	73.74	-0.23439	0.06966	0.30405	986.1873	0.157181	-422.529833	-422.522053	-422.521109	-422.562021	30.415
+C	-0.1303598103	 0.1759951487	-0.1279801578	-0.457939
+C	 1.3569459512	-0.0495559349	 0.029572745	 0.345437
+C	 2.2643969668	 1.2067920417	 0.1151653318	-0.116143
+O	 2.7068439278	 0.8516408651	 1.4442811927	-0.295596
+C	 1.9623349245	-0.3847362174	 1.4215293599	 0.055513
+C	 2.8404142115	-1.5914673875	 1.1791197856	-0.093904
+C	 2.1395739582	-2.8611644065	 0.7318868533	-0.327142
+C	 2.7119160765	-1.9059967447	-0.2820491202	 0.09725
+O	 1.7950986203	-1.0343849541	-0.9050504774	-0.307703
+H	-0.4863848928	 0.9286757707	 0.5815107802	 0.123268
+H	-0.3554309084	 0.5238849134	-1.1413212344	 0.13097
+H	-0.6815316818	-0.7540950484	 0.0397005679	 0.123984
+H	 3.0816658479	 1.2133411988	-0.6147950642	 0.105763
+H	 1.750343943	 2.17511595	 0.1045891365	 0.099738
+H	 1.2939462136	-0.469344513	 2.2861019583	 0.077467
+H	 3.782409564	-1.6489535319	 1.7114801333	 0.10435
+H	 2.6544669194	-3.7995295406	 0.9086055578	 0.116742
+H	 1.0578960576	-2.9157211521	 0.808005232	 0.116944
+H	 3.543291621	-2.1839208471	-0.9193769804	 0.100999
+19
+0 2351	2.6195616	1.7312201	1.4003935	1.7989	73.16	-0.24664	0.06927	0.31591	994.1402	0.157772	-422.536381	-422.528669	-422.527724	-422.568649	29.933
+C	-0.1088880894	 0.0024671261	 0.2022067756	-0.484372
+C	 1.4067883412	 0.0464680405	 0.0932176484	 0.286899
+C	 2.0342627552	-0.8387384203	-1.0182205171	-0.113158
+O	 2.7675640586	-1.633488869	-0.0620202316	-0.298567
+C	 2.229574936	-0.8792141125	 1.0425081666	 0.069851
+C	 3.2611787387	-0.0063583653	 1.7158734838	 0.004316
+O	 2.6326663053	 0.9924596977	 2.5274596046	-0.260316
+C	 3.1180132403	 1.3718788467	 1.2288433092	 0.059308
+C	 2.0083613902	 1.4741798605	 0.1977291293	-0.32553
+H	-0.4391551538	 0.4521905822	 1.1444009651	 0.1303
+H	-0.5797253932	 0.5577441492	-0.6174311557	 0.117356
+H	-0.4815746304	-1.0264131508	 0.1667925757	 0.119785
+H	 1.3177934229	-1.447332367	-1.5846450551	 0.099986
+H	 2.7013056172	-0.3260050017	-1.7229591165	 0.09767
+H	 1.6778294968	-1.5137929495	 1.7461331266	 0.080959
+H	 4.1930533211	-0.4248425408	 2.088603633	 0.102091
+H	 3.9397040306	 2.0838677287	 1.2369923713	 0.097453
+H	 1.2601998845	 2.2066948318	 0.5191553666	 0.113012
+H	 2.404914868	 1.8161904935	-0.7648075696	 0.102958
+19
+0 2352	2.6469823	1.7132673	1.4122948	2.7731	73.58	-0.24605	0.07749	0.32354	995.8585	0.157605	-422.544281	-422.536506	-422.535562	-422.576443	30.708
+O	 0.2396574576	 0.4250460852	-0.1511729618	-0.476536
+C	-0.5312042856	 0.9576143818	 0.9008102265	 0.41179
+C	-1.2890793358	-0.0756981547	 1.7904177265	-0.289246
+C	-2.6135584745	 0.7005177428	 1.5433442716	-0.247138
+C	-1.9059258816	 1.528355593	 0.4291927104	-0.06339
+C	-1.8500443586	 3.0196211579	 0.634392707	 0.026089
+O	-0.741990892	 3.6323896322	-0.0348543042	-0.256211
+C	-0.6206226452	 3.3609106764	 1.3662814225	 0.059845
+C	 0.1835085699	 2.1087604949	 1.6698641648	-0.325313
+H	 1.0507408157	 0.0630412072	 0.2219894854	 0.274145
+H	-1.2912627114	-1.0551293834	 1.3061323773	 0.107587
+H	-0.9583575392	-0.1892975358	 2.8266289492	 0.090886
+H	-3.4706456359	 0.1025564038	 1.2295004127	 0.10735
+H	-2.9185373916	 1.3169082708	 2.3940637176	 0.099725
+H	-2.1704157177	 1.2330833209	-0.5877710919	 0.090502
+H	-2.7575844592	 3.6177290063	 0.6916026479	 0.091968
+H	-0.5357890862	 4.2393222514	 2.002530464	 0.090438
+H	 1.2163387004	 2.2130330726	 1.3214717886	 0.109492
+H	 0.2088803008	 1.9303194868	 2.7510894761	 0.098016
+19
+0 2353	2.6554251	1.7136728	1.3859539	2.4957	73.46	-0.24661	0.05527	0.30188	994.7353	0.15802	-422.540344	-422.532599	-422.531654	-422.572674	30.494
+O	 0.1370491061	 0.0219802313	 0.5799471359	-0.479822
+C	-0.3841688157	 1.2332330982	 1.0621275248	 0.334591
+C	-1.8068030944	 1.4898247948	 0.531229668	-0.100582
+O	-2.3247564441	 1.6925674825	 1.8609836589	-0.30047
+C	-1.0771085177	 1.2811243762	 2.4667189359	 0.073435
+C	-0.4235552715	 2.3698311791	 3.2726066566	-0.055517
+C	 1.0490059517	 2.1812833262	 3.5313046982	-0.299001
+C	 0.5976427293	 3.0642692151	 2.3937933844	-0.018204
+C	 0.5950996714	 2.4373537189	 1.0033998696	-0.315694
+H	 1.0411298197	-0.0725392735	 0.8970083228	 0.277636
+H	-1.9523708004	 2.3662866932	-0.1107601305	 0.099203
+H	-2.2362501085	 0.6024562247	 0.0502324471	 0.107961
+H	-1.1815314565	 0.3207178393	 2.9859723936	 0.076094
+H	-1.02656323	 2.9153054988	 3.9897656781	 0.095632
+H	 1.469525224	 2.6561413646	 4.4107026953	 0.116976
+H	 1.5011969908	 1.2199575058	 3.2965777229	 0.097247
+H	 0.7673958486	 4.1314549748	 2.4778644587	 0.086615
+H	 0.2752273832	 3.1635330458	 0.2494326976	 0.109919
+H	 1.593171424	 2.095435044	 0.7003285323	 0.093982
+19
+0 2354	2.534176	2.0400324	1.54167	1.2744	73.07	-0.24303	0.06816	0.31118999999999997	929.0097	0.158586	-422.518396	-422.511244	-422.5103	-422.549453	29.136
+C	-0.1737067657	-0.1327683074	 0.1812534431	-0.491041
+C	 1.3254505851	-0.0487752908	-0.0277510231	 0.312955
+C	 1.8606971931	 0.8136097218	-1.1943290815	-0.151871
+O	 2.6300514063	-0.2912122205	-1.7260459546	-0.302814
+C	 2.1092197093	-1.1948488517	-0.7255119763	 0.08374
+C	 3.0686815896	-1.5661172859	 0.4327263615	 0.053339
+C	 3.6252879058	-0.2092924461	 0.8991354972	-0.250985
+C	 2.1377111999	-0.0743000549	 1.293343929	 0.008997
+O	 2.1291878652	-1.522888171	 1.5610353822	-0.304765
+H	-0.4115701737	-0.9193871767	 0.9029381627	 0.138264
+H	-0.5723413497	 0.814780577	 0.5634009433	 0.114598
+H	-0.6951643204	-0.3588650067	-0.7545295227	 0.118334
+H	 1.0850906373	 1.132210075	-1.9017068588	 0.102214
+H	 2.4886836893	 1.6762833608	-0.9399940944	 0.099603
+H	 1.5767482886	-2.0453753449	-1.1600368916	 0.079136
+H	 3.657349239	-2.4808733583	 0.3753272153	 0.08128
+H	 4.255456912	-0.3222578943	 1.7811054232	 0.112158
+H	 4.0704935173	 0.4640575873	 0.1672814764	 0.118167
+H	 1.7897633316	 0.5321223173	 2.1303263392	 0.078692
+19
+0 2355	2.6367155	1.9775697	1.5630759	1.0905	73.16	-0.24072	0.0758	0.31652	926.0964	0.158473	-422.522427	-422.515261	-422.514316	-422.553487	29.243
+C	-0.0660014263	 0.0443670832	 0.0848516578	-0.477679
+C	 1.4420055573	 0.0015489982	 0.0689068978	 0.470603
+O	 1.9983068399	 0.0178531172	-1.2763173471	-0.342229
+C	 2.7441179002	 1.2267639773	-1.0034844993	-0.118801
+C	 2.3175175758	 1.2211551576	 0.4755192057	-0.11456
+C	 3.1886891418	 0.4943899911	 1.5209554485	 0.056505
+C	 3.5946047981	-0.849815023	 0.8723623816	-0.24958
+C	 2.0781625654	-1.0412409447	 1.0334581051	 0.022261
+O	 2.1454722479	-0.2359143102	 2.2597631042	-0.303529
+H	-0.4276459025	 0.0578803256	 1.1173363702	 0.134983
+H	-0.4420431464	 0.9322820089	-0.4315735379	 0.118881
+H	-0.4753085846	-0.838614116	-0.4183567003	 0.124869
+H	 3.8142920294	 1.1146113646	-1.2156121578	 0.100203
+H	 2.3538851829	 2.0727570617	-1.5818171582	 0.104979
+H	 1.8357266275	 2.1153263186	 0.8695566458	 0.085115
+H	 3.8552899605	 1.0770933988	 2.1562623526	 0.082137
+H	 4.0326977462	-0.8782662527	-0.1249565273	 0.117605
+H	 4.1500126911	-1.4701086362	 1.575646495	 0.111526
+H	 1.5929645558	-2.0092461501	 1.1598341735	 0.076711
+19
+0 2356	2.5657078	1.985687	1.5390073	1.6839	73.07	-0.23632	0.07946	0.31578	928.048	0.159091	-422.529194	-422.522203	-422.521259	-422.560028	29.399
+O	-0.4863373891	 0.0603584617	 0.4571594609	-0.499454
+C	-1.7798986017	 0.4508138315	 0.824552834	 0.487743
+C	-2.6019586584	 1.0649844779	-0.3305968539	-0.293708
+C	-3.7418050148	 0.0292606123	-0.0683001009	-0.250159
+C	-2.8939922233	-0.6324400603	 1.0586296905	-0.083927
+C	-3.1637335379	-0.3145467374	 2.542586769	 0.061773
+C	-3.3103901725	 1.2219764127	 2.611501584	-0.250327
+C	-1.825320413	 1.0842012226	 2.2346789279	-0.01481
+O	-1.7827452345	-0.1472470575	 3.0432848005	-0.319504
+H	-0.1343650934	-0.4403530499	 1.2047812079	 0.279742
+H	-2.8633517489	 2.1214546269	-0.2260856939	 0.09796
+H	-2.0998231054	 0.922056377	-1.2889836042	 0.118358
+H	-4.6968079803	 0.4519133196	 0.2530724456	 0.101074
+H	-3.9357732649	-0.6330842236	-0.9139279447	 0.106796
+H	-2.6094124019	-1.6726076379	 0.896162304	 0.076357
+H	-3.7643582771	-0.9979052293	 3.1426600844	 0.081719
+H	-4.001015163	 1.7416156673	 1.9456851167	 0.103317
+H	-3.4265544421	 1.5641805927	 3.6401294001	 0.115033
+H	-1.0577041378	 1.8154089936	 2.4897276222	 0.082016
+19
+0 2357	2.5426338	2.036848	1.5492037	0.6286	73.54	-0.24876	0.06658	0.31534	920.6411	0.159198	-422.532347	-422.525363	-422.524419	-422.563148	29.189
+O	 0.4065655868	 0.0363014749	 0.6976082317	-0.4943
+C	-0.8562152014	 0.6071799531	 0.9008615766	 0.394777
+C	-0.9341572067	 2.0000752305	 1.5656250843	-0.168104
+O	-1.8930247147	 1.528312265	 2.5386951085	-0.301433
+C	-1.8032625735	 0.1635147633	 2.0591079292	 0.063029
+C	-2.9992388239	-0.3615725727	 1.2506412413	-0.051289
+C	-3.1794563723	 0.7484525833	 0.1787401765	-0.23994
+C	-1.7727359036	 0.2768253811	-0.2870812991	-0.067896
+C	-2.2385170577	-1.1560043419	 0.1371998484	-0.227902
+H	 0.9157727021	 0.1191095447	 1.5107735755	 0.281087
+H	 0.0102220811	 2.3036897003	 2.0401953207	 0.088837
+H	-1.3167856593	 2.83570698	 0.9677728502	 0.105794
+H	-1.4311967437	-0.5218010556	 2.8281839469	 0.069475
+H	-3.8434324577	-0.7836489094	 1.7958842244	 0.064523
+H	-3.9483597097	 0.489735792	-0.5518698948	 0.09785
+H	-3.3186052555	 1.7741606473	 0.522654336	 0.110993
+H	-1.381306293	 0.4962858532	-1.2800610261	 0.070073
+H	-2.9201368874	-1.6113967536	-0.5836695529	 0.099345
+H	-1.4647186799	-1.8675744554	 0.4350565128	 0.105081
+19
+0 2358	2.8281089	1.7257952	1.3122035	0.1669	74.19	-0.23962	0.05599	0.29561	1006.8545	0.157454	-422.501631	-422.493888	-422.492944	-422.533653	29.857
+C	 0.5024921811	-1.7773168723	-1.3586870357	-0.50293
+C	 1.610812853	-1.0041952294	-0.6871380713	 0.267374
+C	 2.0025689154	-1.3538887544	 0.7640387507	-0.128774
+O	 3.4066197143	-1.4444837343	 0.4336574572	-0.292676
+C	 3.1577061726	-1.1311928867	-0.9464250401	 0.0614
+C	 3.2637872294	 0.3825949986	-1.2081451789	-0.104353
+C	 2.9028593975	 0.7921071114	-2.6449205057	-0.097279
+O	 1.4899447158	 0.8465993489	-2.3345774986	-0.288933
+C	 1.7273869805	 0.5177236556	-0.9529233138	 0.058933
+H	-0.4555298117	-1.5981027439	-0.8550256405	 0.118846
+H	 0.3931238035	-1.4649913061	-2.4003643146	 0.138277
+H	 0.6959817719	-2.8548023096	-1.3307824492	 0.118304
+H	 1.800098823	-0.5883430065	 1.5253300375	 0.098583
+H	 1.6119982386	-2.3169502945	 1.1172319599	 0.103028
+H	 3.6478902653	-1.8270863948	-1.6346946267	 0.07581
+H	 4.0484373205	 0.9242474289	-0.6828726518	 0.089559
+H	 3.2795264384	 1.7755714148	-2.9506920923	 0.10828
+H	 3.1293399024	 0.0634360664	-3.434163536	 0.101919
+H	 1.2339216384	 1.2131027579	-0.2666131105	 0.074631
+19
+0 2359	2.8104813	1.7043789	1.3067813	2.5475	73.93	-0.23305	0.06264	0.29569	1012.2863	0.157524	-422.500133	-422.492404	-422.49146	-422.532181	29.825
+C	-0.1029287083	-0.0762732705	-0.2055313909	-0.508294
+C	 1.3928338222	 0.075175381	-0.0492522789	 0.290986
+C	 2.2759508073	-0.2514462243	-1.2751688468	-0.119481
+O	 3.000836494	 0.9938301706	-1.1706874461	-0.291061
+C	 2.2136434746	 1.4175117076	-0.0448315982	 0.039584
+C	 2.8791797253	 1.0118995711	 1.2766483382	 0.098928
+O	 2.1275031841	 1.4716008739	 2.4157310658	-0.292121
+C	 1.4720313032	 0.1903798316	 2.5606649388	-0.095682
+C	 2.1036012356	-0.3483409636	 1.2679004747	-0.146947
+H	-0.6529297034	 0.3748400776	 0.6254926134	 0.127987
+H	-0.4486903988	 0.4015144762	-1.1282200462	 0.125181
+H	-0.3848588136	-1.135461605	-0.2542386846	 0.120557
+H	 2.9330469235	-1.126657312	-1.1900363902	 0.099058
+H	 1.7234542541	-0.3116043402	-2.2223367469	 0.099561
+H	 1.8117467386	 2.4297350214	-0.1394270751	 0.082927
+H	 3.9594406519	 1.1447359241	 1.3752347104	 0.085359
+H	 1.815107543	-0.3284238164	 3.4654183657	 0.103406
+H	 0.3804095684	 0.2816179153	 2.6005765876	 0.103078
+H	 2.5585555584	-1.3389169487	 1.2993434494	 0.076974
+19
+0 2360	2.9113211	1.7080092	1.3229527	2.1981	74.26	-0.23096	0.06866	0.29962	1004.4546	0.157393	-422.505552	-422.497825	-422.496881	-422.537501	29.945
+C	-0.1112549657	 0.1617792953	 0.0319510276	-0.483613
+C	 1.3872223539	 0.0667363555	-0.0127310621	 0.431875
+O	 1.9291704896	-0.0617010707	-1.3506605815	-0.325891
+C	 2.8345604958	 1.0475811188	-1.1535822742	-0.096528
+C	 2.4458732356	 1.1853825523	 0.3233188705	-0.150382
+C	 3.1970685185	 0.194781065	 1.2378560849	-0.080172
+C	 2.6351128507	 0.117122931	 2.6666663645	-0.093052
+O	 1.6269166654	-0.8472628663	 2.2803109813	-0.288597
+C	 2.1294199681	-0.9049560968	 0.9311910022	 0.056621
+H	-0.4542368225	 0.189308178	 1.0694153982	 0.136908
+H	-0.4673443794	 1.0537585811	-0.492065806	 0.118194
+H	-0.551794613	-0.7158896961	-0.4544769795	 0.129226
+H	 3.8769661121	 0.7785785896	-1.3664562448	 0.09974
+H	 2.5543408431	 1.9049099738	-1.7793367688	 0.101924
+H	 2.2155843431	 2.178141033	 0.7116573991	 0.076858
+H	 4.2732650947	 0.0841950782	 1.1043902825	 0.078828
+H	 3.3254716008	-0.3086519189	 3.4055824298	 0.105014
+H	 2.1985340045	 1.0376721587	 3.0744093346	 0.101208
+H	 2.3157112046	-1.9215810016	 0.5755968916	 0.08184
+19
+0 2361	2.9081274	1.6777441	1.3123496	0.356	74.24	-0.23694	0.05994	0.29688000000000003	1010.7935	0.157313	-422.504629	-422.49689	-422.495945	-422.536653	29.978
+C	 0.2686684523	 1.1509026999	 0.5991891319	-0.482878
+C	 1.6695526254	 0.6623800575	 0.3442874189	 0.449256
+O	 1.8462936986	 0.2057832031	-1.0221694584	-0.32777
+C	 3.0051674391	 1.0463367267	-1.2191768047	-0.098779
+C	 2.9896251511	 1.5146657466	 0.2404871691	-0.166236
+C	 3.6762084421	 0.5218470358	 1.1928678061	 0.122994
+O	 3.5620137729	 0.9281077035	 2.5694762905	-0.294931
+C	 2.4136666746	 0.0738954905	 2.7804685303	-0.096596
+C	 2.3724834833	-0.3351422918	 1.2995338728	-0.144491
+H	 0.1565691977	 1.5457437491	 1.6130140052	 0.123574
+H	 0.0036686238	 1.9401132345	-0.1103082148	 0.126605
+H	-0.4431215185	 0.3275498958	 0.4699169829	 0.129456
+H	 3.8850815153	 0.4747057504	-1.5425249607	 0.099791
+H	 2.8070834029	 1.8348324316	-1.9561743514	 0.103894
+H	 3.0851283921	 2.575255361	 0.4688963173	 0.086139
+H	 4.6753661923	 0.1522649161	 0.9425742143	 0.077169
+H	 2.6530555223	-0.7508429338	 3.464026576	 0.104324
+H	 1.5529672379	 0.6227839485	 3.1810099461	 0.102187
+H	 2.2796573246	-1.3898453949	 1.0453164985	 0.086292
+19
+0 2362	2.8585249	1.7039106	1.3089083	2.9326	74.5	-0.23512	0.0662	0.30132	1010.0059	0.157468	-422.507763	-422.499976	-422.499031	-422.539954	30.417
+O	 0.3751146034	 0.1574204301	 0.7511086168	-0.465519
+C	-0.9455692162	 0.5520228312	 0.5943065493	 0.3983
+C	-1.2625852781	 2.0557750713	 0.3698794423	-0.298263
+C	-2.3726464031	 2.0060907317	 1.4602108536	-0.231089
+C	-2.1270557612	 0.4943844666	 1.6815330856	-0.12274
+C	-2.9341214646	-0.3894673433	 0.7106721106	-0.070909
+C	-2.5996696226	-1.8872978351	 0.8062106577	-0.090255
+O	-1.4984199858	-1.7595351601	-0.12058148	-0.282508
+C	-1.7642029766	-0.365581574	-0.3290843583	 0.074971
+H	 0.8219151993	 0.7953516329	 1.3173489715	 0.278806
+H	-0.4168382891	 2.6972937428	 0.6372765306	 0.096318
+H	-1.5764573322	 2.3257337811	-0.6435652547	 0.103482
+H	-2.1366675858	 2.6145006142	 2.3366051922	 0.101289
+H	-3.3799060168	 2.2715089527	 1.1270785868	 0.09919
+H	-2.0175264318	 0.1346500795	 2.7065733121	 0.066044
+H	-3.9648055925	-0.1079874281	 0.493268792	 0.072718
+H	-2.2781796155	-2.2499625145	 1.7908076833	 0.100844
+H	-3.3735013903	-2.5593310668	 0.413066919	 0.099025
+H	-1.8288337906	-0.1060555722	-1.3910509105	 0.070296
+19
+0 2363	2.8561827	1.6885791	1.307568	0.897	74.15	-0.24404	0.06358	0.30762	1009.6015	0.157593	-422.512048	-422.50432	-422.503376	-422.544126	30.365
+O	 0.1255622151	 0.2023527588	 0.0968924036	-0.476086
+C	-0.7929350597	 0.6514571353	 1.0421888854	 0.416259
+C	-1.1094044555	 2.152002006	 0.8944041189	-0.267977
+C	-2.6341086515	 1.8620663542	 1.0193412923	-0.232911
+C	-2.3629033305	 0.3372023458	 1.0959525432	-0.137631
+C	-2.1801703791	-0.1572079885	 2.5312557767	 0.125188
+O	-1.8774651496	-1.5683722542	 2.5846884099	-0.29447
+C	-0.4632349544	-1.3107200887	 2.7069861668	-0.10443
+C	-0.6551890373	 0.1993576004	 2.5205492051	-0.148424
+H	 0.2054189359	-0.7551582427	 0.1670374768	 0.282463
+H	-0.6619653307	 2.8161703281	 1.6392954017	 0.095764
+H	-0.8265339895	 2.5009502448	-0.1009387653	 0.115924
+H	-3.1198606761	 2.2816489293	 1.9056023861	 0.098418
+H	-3.2125070672	 2.1643934259	 0.1445803536	 0.109519
+H	-2.8941079332	-0.3254022298	 0.4123418233	 0.076203
+H	-2.8973783664	 0.1482999567	 3.2988826949	 0.075503
+H	-0.0864825081	-1.5947465901	 3.69820803	 0.105711
+H	 0.1313356106	-1.8494618926	 1.9542658228	 0.084995
+H	-0.1444893728	 0.8681948812	 3.2140330141	 0.075982
+19
+0 2364	2.8317842	1.7075767	1.3015695	0.7859	74.31	-0.23885	0.05763	0.29648	1011.2297	0.157633	-422.51019	-422.502464	-422.501519	-422.54228	30.348
+O	 0.5552640308	 0.4086717954	 0.3470544513	-0.469915
+C	-0.4045819967	 1.4041848017	 0.4886964471	 0.345344
+C	-1.0457369028	 1.6391554062	 1.8703988187	-0.140658
+O	-0.8915611387	 3.0683078426	 1.7618021019	-0.290216
+C	-0.2204280675	 2.9755052887	 0.4897595128	 0.02564
+C	-1.1970984188	 3.0901271194	-0.6873908774	-0.036224
+C	-0.5022608999	 2.9778850498	-2.0702764152	-0.237547
+C	-0.7267923998	 1.4369963502	-2.073532027	-0.232505
+C	-1.3988557279	 1.5163694953	-0.6798136707	-0.070385
+H	 1.1600943542	 0.450380434	 1.0958514278	 0.284132
+H	-2.0909976856	 1.3309011621	 1.9977779368	 0.105011
+H	-0.451218885	 1.2302944666	 2.7024145027	 0.086233
+H	 0.7206839026	 3.5341423785	 0.4642428741	 0.072752
+H	-2.0059714525	 3.8106256127	-0.5672147122	 0.075131
+H	-1.0317611918	 3.5029056774	-2.8682562181	 0.104131
+H	 0.5412040921	 3.3080876428	-2.0868077587	 0.097219
+H	-1.4163000385	 1.1076255315	-2.8539482872	 0.099189
+H	 0.1676128233	 0.8130134538	-2.1155787212	 0.118014
+H	-2.3588397976	 1.0125381914	-0.5519646957	 0.064654
+19
+0 2365	2.672778	1.4127497	1.1517293	4.4147	77.04	-0.24256	-0.01152	0.23104	1123.748	0.155117	-422.541847	-422.532776	-422.531832	-422.575176	34.153
+C	-0.1793049906	-0.2956155028	 0.029761715	-0.475938
+C	 1.3298009153	-0.1840910076	-0.0118001242	 0.174025
+C	 2.0313792283	-1.0725302236	 0.9647432454	 0.136086
+O	 1.4598154895	-1.8032835599	 1.7367265513	-0.279728
+C	 2.1706338052	-0.0529358776	-1.3012332323	-0.185957
+C	 1.4348567921	 0.8079857479	-2.3315261437	-0.243695
+C	 1.3913492857	 1.9857118942	-1.3032088646	-0.303222
+C	 2.1035408937	 1.0866244629	-0.2865997746	 0.351718
+O	 2.9975244382	 1.5430430435	 0.6646928304	-0.451185
+H	-0.548969692	-0.0308825226	 1.0243526501	 0.136569
+H	-0.6662589577	 0.3538483476	-0.6995092819	 0.11338
+H	-0.4894825206	-1.3259284625	-0.1657938701	 0.132425
+H	 3.1400651514	-1.0310389845	 0.9257731715	 0.076216
+H	 2.9566975832	-0.7679646604	-1.5147545277	 0.098487
+H	 2.0524949301	 1.0376607678	-3.2023333872	 0.109682
+H	 0.4707570807	 0.4298652068	-2.6810420919	 0.111492
+H	 2.0320282102	 2.8158818788	-1.6160905498	 0.101085
+H	 0.41685887	 2.3902611488	-1.0163252659	 0.110921
+H	 3.676347947	 2.0634584533	 0.21992642	 0.287639
+19
+0 2366	2.4101182	1.4988212	1.1886843	2.7311	77.92	-0.24018	-0.03313	0.20705	1116.4445	0.155248	-422.540731	-422.53179	-422.530846	-422.573909	33.909
+C	-0.3609568483	-0.8902837446	-3.2792893045	-0.493022
+C	-0.0895346613	-1.0747030147	-1.8155192827	 0.258927
+C	 0.3257534646	-2.4010258938	-1.1563087478	-0.299936
+C	-0.530278582	-2.0332821968	 0.1013964947	-0.246996
+C	-0.9091003067	-0.7138098019	-0.5734487432	-0.153729
+C	 0.3023068278	 0.1297943309	-0.9434747838	 0.320159
+O	-0.0353216241	 1.3624186892	-1.4952620096	-0.481219
+C	 1.5529893708	 0.1961915709	-0.1614720395	 0.07299
+O	 2.1898390119	 1.2289350895	-0.0896041148	-0.297452
+H	-1.1362541686	-1.5847741972	-3.6221762532	 0.117227
+H	-0.6861737311	 0.1304445413	-3.4877483804	 0.149468
+H	 0.5434652924	-1.0852317249	-3.8680506283	 0.121017
+H	-0.0894963422	-3.2573779744	-1.6938471835	 0.112986
+H	 1.3951486818	-2.5816890383	-1.0132299026	 0.101749
+H	-1.3898299205	-2.6970099746	 0.2160417747	 0.114991
+H	-0.0184069722	-1.9732824531	 1.0661599872	 0.104009
+H	-1.8547135977	-0.1882144542	-0.5049758903	 0.104978
+H	 0.7044055067	 1.9434957339	-1.2529870324	 0.296025
+H	 1.8957267386	-0.7220543874	 0.34567617	 0.097827
+19
+0 2367	2.3760898	1.5966394	1.259436	2.2121	77.15	-0.24142	-0.02665	0.21477	1077.3147	0.154605	-422.526884	-422.517737	-422.516793	-422.560197	33.847
+C	 1.7628381135	 1.5049121587	 2.8214076373	-0.511883
+C	 1.7547781895	 1.115573818	 1.3715801214	 0.208103
+C	 2.0004283919	 2.0950402811	 0.2180706152	-0.142032
+O	 2.7133643186	 1.0790408203	-0.544512033	-0.286972
+C	 2.5591160711	 0.1761301441	 0.5328331739	 0.057686
+C	 1.0611352065	-0.1336999123	 0.7776358965	 0.136569
+C	 0.0474364095	-0.0528423092	-0.3459832815	-0.506003
+C	 0.9134550676	-1.281687283	 1.7069887524	 0.090781
+O	 1.6413215029	-1.5347246817	 2.642927923	-0.285736
+H	 1.8431117249	 0.6272898663	 3.4630972011	 0.167068
+H	 2.611156498	 2.1651278512	 3.0328687959	 0.120201
+H	 0.8456957301	 2.0448254586	 3.0846465061	 0.119051
+H	 1.1424012704	 2.5043403461	-0.3247945726	 0.11306
+H	 2.6850913662	 2.9016412547	 0.5005469286	 0.12078
+H	 3.3402538715	-0.543534412	 0.746645066	 0.129682
+H	-0.280299749	-1.0559626103	-0.6383536932	 0.12237
+H	-0.8425117238	 0.5163200776	-0.0564682905	 0.122161
+H	 0.486706615	 0.416388145	-1.22885303	 0.148089
+H	 0.0682149557	-1.9597989932	 1.4517358634	 0.077024
+19
+0 2368	2.4137667	1.5815518	1.2737202	1.595	77.42	-0.24014	-0.02703	0.21311	1073.3109	0.154508	-422.532272	-422.523125	-422.522181	-422.565561	33.916
+C	 3.4441267059	-0.949389511	 1.3155003021	-0.502649
+C	 2.4982184161	 0.0606398607	 0.7568333645	 0.440329
+O	 2.8610312295	 0.682509999	-0.4758657363	-0.311208
+C	 2.3048213537	 1.9466180225	-0.0111244319	-0.124617
+C	 1.7953709158	 1.2838071434	 1.2572796432	-0.204343
+C	 0.9464383545	 0.0615588718	 0.8821678149	 0.149756
+C	 0.0642823248	-0.0000852848	-0.3475595184	-0.500055
+C	 0.4485688137	-0.6711618281	 2.0735328843	 0.087379
+O	 0.8859933261	-0.5654724489	 3.1987144524	-0.28162
+H	 3.0897211656	-1.3175287139	 2.2788914409	 0.160026
+H	 3.5466455212	-1.7936756072	 0.6249360368	 0.131705
+H	 4.433499561	-0.5019974639	 1.4515432855	 0.131788
+H	 3.1095535936	 2.6666192019	 0.1695932408	 0.121911
+H	 1.5765100514	 2.3680407214	-0.7118025469	 0.112975
+H	 1.7459383812	 1.6987590739	 2.2546260381	 0.123024
+H	-0.3812839197	-0.9959230389	-0.4457379109	 0.121269
+H	-0.7546066596	 0.7261346099	-0.3006800553	 0.122725
+H	 0.6466908375	 0.1905302796	-1.2511663339	 0.147312
+H	-0.3912461025	-1.3690736976	 1.85630491	 0.074293
+19
+0 2369	2.7211112	1.5428564	1.2206448	3.0539	75.89	-0.21479	0.05852	0.27331	1086.7036	0.156173	-422.48372	-422.475264	-422.474319	-422.516836	31.397
+C	 2.3636477775	-2.0597931811	-0.1431212931	-0.502424
+C	 2.4564250631	-0.6194746969	-0.5542289649	 0.13129
+C	 3.74295404	 0.2121122594	-0.5628446893	-0.11983
+O	 3.357847102	 0.9146779479	-1.7732977004	-0.287269
+C	 2.1586046408	 0.1525858853	-1.8592538687	-0.03911
+C	 1.3112879573	 0.3450423208	-0.6489923458	 0.43142
+C	-0.1739381554	 0.020701706	-0.5233687431	-0.378238
+C	-0.2352831925	 1.3855623752	 0.1984229092	-0.070446
+O	 1.1956686406	 1.5651158195	 0.0831028881	-0.308196
+H	 2.4783430888	-2.1693796776	 0.9423657507	 0.125975
+H	 1.3964100306	-2.4931425865	-0.4159457269	 0.12295
+H	 3.1435701174	-2.6617358086	-0.6227021736	 0.124002
+H	 3.9004392029	 0.8921757543	 0.2812259633	 0.118915
+H	 4.6438401269	-0.3872088226	-0.7391763861	 0.103313
+H	 1.8101116011	-0.1411955222	-2.8458863035	 0.097319
+H	-0.7280325529	-0.0501446684	-1.4614034229	 0.116824
+H	-0.4125748236	-0.8410078884	 0.1035850301	 0.115625
+H	-0.7853457389	 2.1710607977	-0.3318803499	 0.109758
+H	-0.5579989257	 1.3610406661	 1.2447953668	 0.108123
+19
+0 2370	2.7511462	1.4689363	1.1653971	2.454	75.29	-0.23266	0.05995	0.29261000000000004	1105.6946	0.156225	-422.480687	-422.472239	-422.471295	-422.513792	31.254
+C	-2.4360826968	 1.5374310574	-1.5251765568	-0.501808
+C	-1.4143180358	 2.1767358756	-0.6317329899	 0.163367
+C	-1.0679127273	 3.6670289737	-0.5952354456	-0.127388
+O	-0.8624433666	 3.636336319	 0.844166568	-0.289849
+C	-1.257300517	 2.2620801862	 0.8788511822	-0.019437
+C	-0.3057122983	 1.4378537182	 0.0819476384	 0.23782
+C	 1.2141489123	 1.5238151564	 0.0078572385	-0.144292
+O	 1.3136981942	 0.0860189998	 0.1520797557	-0.276882
+C	-0.1196573333	-0.0750923741	 0.1685568395	-0.157584
+H	-2.6831910949	 0.5260163009	-1.1880255806	 0.126764
+H	-3.3650584994	 2.1176474062	-1.5435154713	 0.125123
+H	-2.0708271801	 1.4575020269	-2.5561785466	 0.12689
+H	-0.1763049565	 4.0018322091	-1.1390174765	 0.106212
+H	-1.9173973045	 4.3133288947	-0.8460688788	 0.108902
+H	-1.8556602743	 1.9185434279	 1.7169041903	 0.104049
+H	 1.6322718443	 1.8659331029	-0.9484502693	 0.09833
+H	 1.7013283549	 2.060614888	 0.8298419588	 0.115994
+H	-0.4755829087	-0.6529700051	-0.695607054	 0.099381
+H	-0.4725385721	-0.5587991837	 1.0890858182	 0.10441
+19
+0 2371	2.83721	1.5181015	1.234263	2.9316	76.11	-0.21461	0.06503	0.27964	1081.9104	0.156112	-422.48822	-422.479782	-422.478838	-422.521287	31.472
+C	 2.4112459902	-2.0792546449	 0.0400070319	-0.496672
+C	 2.4412222854	-0.6655938325	 0.5202384069	 0.367255
+O	 3.6832634076	 0.0368430542	 0.4060757122	-0.317767
+C	 3.4655073183	 0.6990049974	 1.6796738989	-0.089311
+C	 2.0950135616	 0.0554313811	 1.8461088863	-0.296388
+C	 1.3129963956	 0.304984097	 0.5915838435	 0.434229
+C	-0.1735931967	 0.0240073583	 0.3942571511	-0.377064
+C	-0.1658657527	 1.3979433261	-0.3122401623	-0.06955
+O	 1.2546764196	 1.5576592859	-0.091840857	-0.309505
+H	 3.16467401	-2.6837481711	 0.5546732557	 0.130379
+H	 1.4292205179	-2.5296377163	 0.2101253522	 0.123002
+H	 2.6230120551	-2.1171191831	-1.0347982311	 0.136577
+H	 4.205758426	 0.3656155825	 2.4149402585	 0.105342
+H	 3.4891426604	 1.7901295239	 1.5876734242	 0.118782
+H	 1.6546580671	-0.2917450176	 2.7736410688	 0.092709
+H	-0.4113526594	-0.8278079432	-0.2460636238	 0.116173
+H	-0.7682455838	-0.0326491208	 1.3081604282	 0.115327
+H	-0.4107273849	 1.3857478941	-1.379927788	 0.10912
+H	-0.7445002973	 2.1860015491	 0.1825287841	 0.107362
+19
+0 2372	2.8554338	1.4406887	1.1922828	2.2199	75.55	-0.23208	0.07142	0.3035	1097.8391	0.156203	-422.485193	-422.476775	-422.475831	-422.518227	31.301
+C	-2.5297392004	 1.6372316028	 1.2437616137	-0.496116
+C	-1.4647815365	 2.1462218189	 0.3304458092	 0.389279
+O	-1.1301865508	 3.5435272659	 0.4116500961	-0.320331
+C	-0.9914549521	 3.6142626127	-1.0340636236	-0.094656
+C	-1.223474077	 2.1166377719	-1.1745551311	-0.27383
+C	-0.2976124493	 1.4006899792	-0.2228658583	 0.24181
+C	 1.1923748111	 1.5600270105	 0.0559496244	-0.1422
+O	 1.3433859932	 0.1216378434	 0.1354311601	-0.277231
+C	-0.0485042495	-0.1044557042	-0.168003254	-0.155241
+H	-2.213920027	 1.7329111426	 2.2889240534	 0.136852
+H	-3.457777139	 2.2025570201	 1.1163646725	 0.131834
+H	-2.735579657	 0.5809898323	 1.0484607898	 0.126969
+H	-1.7903974688	 4.2274406131	-1.4654166507	 0.111136
+H	-0.0161858029	 4.0114781217	-1.3402618494	 0.106666
+H	-1.7539403434	 1.6144246789	-1.9741030764	 0.099559
+H	 1.7924682357	 1.9880042104	-0.758012506	 0.099696
+H	 1.4508814964	 2.0581799893	 0.9975977188	 0.113285
+H	-0.1801134068	-0.6447363939	-1.1156024763	 0.100554
+H	-0.5599760259	-0.6574755157	 0.6312137778	 0.101964
+19
+0 2373	2.7325841	1.5575228	1.2434869	1.73	75.96	-0.22454	0.07272	0.29725999999999997	1070.9093	0.156852	-422.5033	-422.495007	-422.494062	-422.53609	31.663
+O	 2.1258971517	-1.8833451576	 0.026297578	-0.45376
+C	 2.40409216	-0.6133078049	 0.4899649607	 0.28556
+C	 3.7506559394	 0.098964017	 0.3704563546	-0.294245
+C	 3.4636817748	 0.8498103861	 1.7116396461	-0.226198
+C	 2.1283678368	 0.1126740762	 1.8631701837	-0.244562
+C	 1.3005949126	 0.3558792071	 0.6451520907	 0.457912
+C	-0.1780160046	 0.0272183136	 0.4742341136	-0.373563
+C	-0.2282058787	 1.3856492069	-0.2586993615	-0.073182
+O	 1.1845784414	 1.6110210867	-0.039796476	-0.32109
+H	 2.7822823166	-2.4909021883	 0.3855501711	 0.285037
+H	 4.5932448255	-0.5927702202	 0.4658406579	 0.092623
+H	 3.8905922707	 0.706275595	-0.5283037858	 0.114383
+H	 4.1840272653	 0.602943442	 2.4938431847	 0.099557
+H	 3.3819739815	 1.93675162	 1.6313107609	 0.116887
+H	 1.6889972301	-0.2311342401	 2.7940397745	 0.08366
+H	-0.3811310548	-0.8520119176	-0.1380338927	 0.129466
+H	-0.7560537151	-0.028518732	 1.3986093118	 0.111101
+H	-0.4697740713	 1.3394570411	-1.3265420171	 0.106631
+H	-0.8392355118	 2.161298689	 0.2164132847	 0.103784
+19
+0 2374	2.7807701	1.4602589	1.1838206	1.4047	75.22	-0.24051	0.06522	0.30573	1094.734	0.156644	-422.495503	-422.48714	-422.486195	-422.52837	31.637
+O	-2.3859086658	 1.5213952714	 1.2001377694	-0.454589
+C	-1.4185843488	 2.1669314805	 0.4508669374	 0.324369
+C	-1.1620640479	 3.6781650286	 0.4741190133	-0.301847
+C	-0.9418597901	 3.6321071644	-1.0758556121	-0.228464
+C	-1.2393922029	 2.1261285083	-1.068772174	-0.198419
+C	-0.2691916188	 1.4272171048	-0.1616365127	 0.240114
+C	 1.2449145858	 1.5298078316	 0.0198372404	-0.150619
+O	 1.3351614641	 0.0957102615	 0.1802952877	-0.27706
+C	-0.0807449626	-0.0814189521	-0.0456778989	-0.153058
+H	-1.9962489034	 1.2532556263	 2.0406163215	 0.287891
+H	-2.0636706404	 4.2336332922	 0.7408043413	 0.114941
+H	-0.3310104496	 4.0310395084	 1.0941270189	 0.093204
+H	-1.6873292241	 4.2152219843	-1.6194103214	 0.110708
+H	 0.0524917835	 3.9167416717	-1.4333974154	 0.101087
+H	-1.7994697438	 1.5810704031	-1.820241476	 0.094434
+H	 1.8081748839	 1.8793452143	-0.8559190671	 0.101298
+H	 1.5997437306	 2.0660136021	 0.9101379432	 0.098221
+H	-0.2831383695	-0.6642583854	-0.9540186075	 0.103368
+H	-0.5807932903	-0.566076516	 0.8035108022	 0.094423
+19
+0 2375	2.7767406	1.4828255	1.1756675	2.3077	75.63	-0.22457	0.05967	0.28424	1100.1453	0.15626	-422.490222	-422.481775	-422.480831	-422.523246	31.964
+O	-2.0242978583	-1.0249630076	 1.1665542624	-0.447946
+C	-0.8689058619	-1.2210093311	 0.4380283732	 0.214308
+C	-0.1594823049	-2.5653076013	 0.2742516772	-0.143445
+O	 0.1446349746	-2.2641410559	-1.1169770813	-0.286617
+C	-0.598621669	-1.0441363787	-1.0401645512	-0.041495
+C	 0.0271685924	-0.1090753055	-0.0445805381	 0.285231
+C	-0.337204646	 1.3809536654	 0.0129137033	-0.302636
+C	 1.1823184098	 1.6959797538	-0.1371998994	-0.206768
+C	 1.5174098601	 0.1988997723	 0.1425955493	-0.30311
+H	-1.7999364797	-0.5514248723	 1.9753492997	 0.290505
+H	 0.742632031	-2.7558106735	 0.8676280434	 0.10163
+H	-0.8470334841	-3.4156298657	 0.3445844053	 0.114435
+H	-1.2062422256	-0.751988985	-1.8895989794	 0.10818
+H	-1.0075355431	 1.7622642161	-0.7620300934	 0.106795
+H	-0.7383097787	 1.6841521047	 0.9864781693	 0.090079
+H	 1.4423873711	 1.9946034864	-1.1551664939	 0.110071
+H	 1.5973076455	 2.4298622518	 0.5565176337	 0.099621
+H	 2.1979204514	-0.299590756	-0.5508082502	 0.116198
+H	 1.8706088254	 0.0264692121	 1.1647958501	 0.094964
+19
+0 2376	3.2593918	1.139459	0.948697	0.9205	76.47	-0.23287	0.07167	0.30454	1265.6289	0.155667	-422.483348	-422.474685	-422.47374	-422.517078	31.915
+C	 0.973069413	 1.3771372545	 0.6231585871	-0.494943
+C	 1.6934496115	 0.2411620871	-0.0429226722	 0.241867
+C	 3.1772506123	 0.2535274974	-0.4177120475	-0.130647
+O	 3.3188582033	-1.15971307	-0.1010413467	-0.294389
+C	 1.9571732214	-1.2034352318	 0.316075557	 0.04487
+C	 1.0402119534	-0.887269434	-0.8396446439	-0.116032
+C	-0.4168603377	-1.1270936205	-0.6424144785	 0.068568
+C	-1.2197434322	-1.8802832589	-1.6135481574	-0.188055
+O	-1.3180120565	-0.4574014639	-1.5369111753	-0.242972
+H	 1.5489583581	 1.7650946621	 1.4707046705	 0.119926
+H	 0.8125341831	 2.2025877394	-0.0802359631	 0.131749
+H	-0.0094228138	 1.0771285768	 0.995861563	 0.130506
+H	 3.4427135078	 0.4784993339	-1.4577149951	 0.106304
+H	 3.7887022795	 0.8594304112	 0.261676825	 0.108316
+H	 1.6999241419	-1.8241988828	 1.1680732655	 0.104716
+H	 1.4077263259	-1.0970055262	-1.8429063473	 0.089023
+H	-0.7588732297	-1.131808106	 0.3941009686	 0.091134
+H	-0.7424542533	-2.2686631476	-2.5126220409	 0.115825
+H	-2.0987340882	-2.4319030106	-1.2818246887	 0.114234
+19
+0 2377	3.3360614	1.2508624	1.0508695	1.7316	75.73	-0.22695	0.08009	0.30704	1177.5904	0.15587	-422.488929	-422.480443	-422.479499	-422.522063	31.781
+C	 0.2500779596	 0.1950713825	 0.7539265631	-0.50043
+C	 1.522108695	 0.0758167305	-0.0177850695	 0.467072
+O	 2.3923775965	-1.026910288	 0.2894227644	-0.326486
+C	 3.5569489442	-0.1679136158	 0.1399265102	-0.106738
+C	 2.6879056489	 1.000395571	-0.2972975447	-0.190696
+C	 1.7888121355	 0.5318954862	-1.4305358652	-0.127348
+C	 0.8760667321	 1.5327363699	-2.0654864368	 0.037131
+C	 1.3491421029	 2.8276578998	-2.5772782724	-0.173401
+O	 0.623284483	 2.7460697682	-1.3478532789	-0.231074
+H	 0.4501437124	 0.1875922149	 1.8297732018	 0.127117
+H	-0.2637072579	 1.1248113303	 0.4987244748	 0.151506
+H	-0.4174908538	-0.6446467558	 0.5285144044	 0.127251
+H	 4.0479340879	-0.0157867868	 1.1080764307	 0.108782
+H	 4.2802555232	-0.5680945711	-0.58118738	 0.101316
+H	 2.8161897796	 2.044624841	-0.0490700091	 0.112453
+H	 2.1707415614	-0.2172293511	-2.1239906796	 0.090775
+H	-0.0151414828	 1.1106583909	-2.5338832942	 0.098674
+H	 2.4019401733	 3.0859673123	-2.4781236423	 0.116517
+H	 0.8206801591	 3.3118154011	-3.3968652066	 0.117578
+19
+0 2378	3.2808607	1.1293722	0.9565874	2.5655	76.62	-0.24013	0.07068	0.31081000000000003	1267.1324	0.15634	-422.498847	-422.490388	-422.489444	-422.532122	32.101
+O	-0.800679224	 0.472032362	 0.5581167921	-0.453931
+C	-2.0843284211	-0.0026689257	 0.3585552613	 0.381172
+C	-3.3682352165	 0.7618979628	 0.6897868764	-0.296838
+C	-4.0644160077	-0.6046126415	 1.0133428312	-0.23705
+C	-2.7550742849	-1.3392108117	 0.7117888207	-0.150301
+C	-2.325877506	-1.0201725968	-0.7137029017	-0.071651
+C	-1.1353924358	-1.7550157126	-1.2334077368	 0.082369
+C	-0.7831490625	-1.7519919614	-2.6575570733	-0.18807
+O	-1.4047718852	-2.8933268816	-2.0630243618	-0.2477
+H	-0.7081753355	 0.7122368149	 1.4868636192	 0.285579
+H	-3.2591730548	 1.3813305428	 1.5854359593	 0.096682
+H	-3.7931826387	 1.3769355705	-0.1102263999	 0.10122
+H	-4.3783156352	-0.6789113354	 2.0566431703	 0.104368
+H	-4.9114659043	-0.8708846594	 0.3731980288	 0.10374
+H	-2.3711199031	-2.2143027957	 1.2224321839	 0.093645
+H	-3.0952089483	-0.8424009407	-1.4660314692	 0.078531
+H	-0.3310574403	-1.9053889537	-0.5145565544	 0.096452
+H	-1.4025624233	-1.196118527	-3.3609562938	 0.10871
+H	 0.2546942569	-1.8845525198	-2.9607800423	 0.113073
+19
+0 2379	3.308307	1.1310752	0.9511357	2.3885	76.22	-0.22246	0.06789	0.29035	1270.9598	0.155932	-422.486621	-422.477983	-422.477039	-422.520251	32.525
+O	 0.0412451542	 0.1806277559	 0.5315578271	-0.451711
+C	-0.8020540466	 1.2475328046	 0.2985112305	 0.296984
+C	-1.9416652676	 1.2444854507	-0.7163977272	-0.143343
+O	-2.7817714803	 2.0136350932	 0.1908062665	-0.291229
+C	-1.7803835771	 1.9504300283	 1.2094275503	 0.014082
+C	-0.5268683719	 2.6683072177	 0.7644224859	-0.11941
+C	 0.5736495181	 2.8404061911	 1.7647942191	-0.004001
+C	 1.88966344	 3.4614868492	 1.3482934993	-0.278505
+C	 0.9471560901	 4.2170150503	 2.2527706378	-0.276194
+H	 0.9233413749	 0.4198691718	 0.2261888895	 0.294428
+H	-1.7882839581	 1.7514795703	-1.6767144824	 0.100097
+H	-2.3597733779	 0.244212	-0.8783662615	 0.114721
+H	-2.0904348003	 1.8086934401	 2.2382606461	 0.111014
+H	-0.6462879892	 3.4879742287	 0.0551581179	 0.082155
+H	 0.6420450533	 2.0398716021	 2.4954971851	 0.095009
+H	 2.8065188702	 3.0664338759	 1.7720572256	 0.1126
+H	 1.984247058	 3.8030559456	 0.3225035657	 0.111553
+H	 1.2186213623	 4.3356853526	 3.2957550583	 0.114816
+H	 0.412722738	 5.062927622	 1.8336622366	 0.116937
+19
+0 2380	3.0690756	1.1423901	1.0462869	2.0648	77.05	-0.254	0.00725	0.26125	1229.7488	0.155918	-422.550885	-422.541982	-422.541038	-422.585273	32.426
+C	-3.3735596619	 0.6305062585	 0.0282314716	-0.503668
+C	-2.5339936838	 1.8583423774	-0.1653787737	 0.320512
+C	-2.8229097816	 3.2379153435	 0.4476392466	-0.287093
+C	-2.2998995488	 3.9238512891	-0.8592323108	-0.234053
+C	-1.9940347821	 2.5433573398	-1.4419656474	-0.149439
+C	-1.0707241038	 1.8168176051	-0.5149118077	 0.09097
+O	-0.6079030495	 0.5898826201	-1.0641164401	-0.222114
+C	 0.1453100696	-0.1757601638	-0.2553830596	 0.172477
+O	 0.45423935	 0.0735007429	 0.875724177	-0.297053
+H	-3.3218314094	 0.281683766	 1.0667111435	 0.128383
+H	-4.425067738	 0.8326798358	-0.2032927799	 0.11796
+H	-3.0376824883	-0.1858998155	-0.6164417974	 0.126205
+H	-3.8899528711	 3.4098405408	 0.6085910719	 0.107544
+H	-2.2895850242	 3.4689041341	 1.3758714726	 0.102871
+H	-3.094037491	 4.4457904373	-1.3967190075	 0.109335
+H	-1.4462518426	 4.6017898881	-0.7545238236	 0.100417
+H	-2.075975046	 2.2374438614	-2.4785157794	 0.094525
+H	-0.3167804689	 2.3194654914	 0.0858842032	 0.111864
+H	 0.4465159614	-1.074970592	-0.8145241593	 0.110357
+19
+0 2381	3.4890214	1.0437245	0.8999836	0.6844	76.34	-0.23293	-0.02595	0.20698	1302.7977	0.15467	-422.519127	-422.509926	-422.508982	-422.553749	32.988
+C	-3.1609274113	 0.6499907229	 0.0568437351	-0.504707
+C	-2.4688606272	 1.9698109195	 0.2463185532	 0.255662
+C	-2.9839318368	 3.2954754939	-0.319632233	-0.128814
+O	-2.5399482072	 4.0281880746	 0.855954373	-0.292106
+C	-2.0990142191	 2.8105483343	 1.4508146306	 0.046442
+C	-1.0055367293	 2.1827242809	 0.630259687	-0.10574
+C	-0.2429121963	 1.0223214948	 1.2518206284	-0.33129
+C	 0.2367018499	 0.0435773481	 0.1996724145	 0.173491
+O	-0.0790805271	-1.1172013295	 0.1459179254	-0.239469
+H	-2.7103870016	-0.147000811	 0.6526503427	 0.143856
+H	-4.2199339801	 0.7205830391	 0.3284781855	 0.121135
+H	-3.1076657602	 0.3316738906	-0.9913748989	 0.127655
+H	-2.5283687808	 3.67106844	-1.2440619815	 0.104371
+H	-4.0765822979	 3.3333155592	-0.4036852474	 0.108898
+H	-2.2257541859	 2.6833656713	 2.5209644651	 0.105336
+H	-0.4033484333	 2.8560009361	 0.0207614118	 0.090481
+H	 0.6368425778	 1.4202321098	 1.7767952718	 0.125351
+H	-0.8500704621	 0.4763483475	 1.9795008568	 0.122312
+H	 0.9157279383	 0.4879946481	-0.5651408301	 0.077136
+19
+0 2382	3.5003826	1.0483631	0.9106382	2.7185	76.6	-0.23388	-0.02514	0.20874	1300.3183	0.154549	-422.523839	-422.514629	-422.513685	-422.558539	33.062
+C	-3.2688440909	 0.6741816414	-0.0718929194	-0.496683
+C	-2.5354500711	 1.953362207	-0.3125645204	 0.472394
+O	-3.0428738479	 3.124369228	 0.3496882204	-0.322244
+C	-2.7689539002	 3.9337769653	-0.8257524317	-0.10082
+C	-2.1136372113	 2.7575706803	-1.5299348943	-0.201572
+C	-1.0704169659	 2.1534542718	-0.6009599483	-0.094608
+C	-0.2560121502	 0.9952888131	-1.1559493416	-0.323329
+C	 0.2008022703	 0.0622215687	-0.0531547538	 0.169953
+O	-0.0754136704	-1.108011206	 0.0113601691	-0.23942
+H	-3.2746240343	 0.4501574403	 1.000938777	 0.138402
+H	-4.3081345305	 0.7500751113	-0.4056572985	 0.127184
+H	-2.7918673975	-0.1656466972	-0.5824478877	 0.142536
+H	-3.7046338092	 4.2633811681	-1.292072055	 0.110469
+H	-2.1438093383	 4.8052995402	-0.596405469	 0.103873
+H	-2.1576754361	 2.5266733763	-2.586389678	 0.100122
+H	-0.5267672584	 2.8248906953	 0.0631201681	 0.090855
+H	-0.8234713687	 0.4121863556	-1.886856671	 0.121127
+H	 0.6354272068	 1.3924913259	-1.6622988321	 0.123042
+H	 0.8207461438	 0.5485788345	 0.7355725863	 0.07872
+19
+0 2383	3.5614602	0.9639503	0.8683932	4.3543	77.01	-0.23759	-0.013	0.22458999999999998	1365.6072	0.155347	-422.535974	-422.526945	-422.526001	-422.570277	33.203
+O	 1.1654428169	 3.0346949703	 0.6216720944	-0.456858
+C	-0.2098886703	 3.1820654674	 0.5954479951	 0.396391
+C	-0.9638541836	 4.3025960991	-0.1235332085	-0.297391
+C	-2.0680236109	 4.2330231017	 0.9871219995	-0.235894
+C	-1.2732851334	 3.1384256057	 1.7057064011	-0.154576
+C	-1.0704709092	 1.9671068383	 0.7588091098	-0.057346
+C	-0.4194193446	 0.7180913573	 1.3284116201	-0.314189
+C	 0.3016285245	-0.0795160839	 0.2581582208	 0.157207
+O	 0.1278233863	-1.2528215188	 0.0479888353	-0.24403
+H	 1.5553011628	 3.84458219	 0.9693356632	 0.287655
+H	-0.4217495341	 5.2526762454	-0.0944301448	 0.098455
+H	-1.264847926	 4.1040297065	-1.1573826631	 0.103481
+H	-2.1486729427	 5.1610768321	 1.5568908671	 0.105823
+H	-3.0672890058	 3.9428570213	 0.6471463765	 0.103411
+H	-1.1773835395	 3.0085563119	 2.7772765816	 0.089944
+H	-1.8437505727	 1.7674175972	 0.0151196314	 0.084527
+H	 0.3333019544	 1.0100752384	 2.0720834083	 0.124241
+H	-1.1530189351	 0.0682418923	 1.8148387572	 0.116559
+H	 1.0273931228	 0.5153796479	-0.338647845	 0.092588
+19
+0 2384	2.4494531	1.8536228	1.3765919	1.1909	75.82	-0.24405	0.00506	0.24911	1002.4608	0.157568	-422.5439	-422.535964	-422.53502	-422.576026	30.854
+C	-0.0556549408	 0.0367982932	-0.1275767794	-0.440098
+C	 1.4618186521	 0.0408448936	-0.0750535067	 0.354152
+C	 2.0358977029	-0.3341100729	 1.3188786801	-0.139359
+O	 2.2756105423	 1.0574994739	 1.6147751408	-0.294594
+C	 2.0824408277	 1.4325102118	 0.2154289469	 0.018229
+C	 3.3840468764	 1.6686572734	-0.4831213381	-0.069326
+C	 3.9395643531	 0.7294921656	-1.2448627758	-0.076672
+C	 3.2916380025	-0.5986177947	-1.5060134049	-0.131711
+O	 1.9038793236	-0.6403999016	-1.2237759863	-0.302094
+H	-0.4682479783	 0.5538096474	 0.7429514739	 0.12806
+H	-0.4036532979	 0.5376360128	-1.0357114022	 0.123962
+H	-0.4296151379	-0.9913786068	-0.137343176	 0.123621
+H	 1.3439137967	-0.7956634788	 2.0316216895	 0.103194
+H	 2.9659673219	-0.9165522354	 1.287076109	 0.099069
+H	 1.4092812746	 2.2945542134	 0.1418745909	 0.07622
+H	 3.8864905988	 2.6151843107	-0.3037136216	 0.099085
+H	 4.9136924353	 0.8819980195	-1.7031060894	 0.100804
+H	 3.3838916945	-0.8652201637	-2.5654894271	 0.120225
+H	 3.8270784725	-1.3837973113	-0.9426888435	 0.107232
+19
+0 2385	2.4321604	1.7640156	1.3373794	0.947	75.46	-0.24526	0.00676	0.25202	1017.2152	0.158188	-422.556192	-422.548267	-422.547323	-422.588528	31.054
+O	 0.2427464781	 0.4011000878	-0.0523583648	-0.489178
+C	-0.5770610568	 1.0121958161	 0.9238788132	 0.372875
+C	-1.2527752311	 0.007929787	 1.8900837142	-0.143181
+O	-2.5242806633	 0.158670476	 1.2259003325	-0.297453
+C	-2.0291753785	 1.3000072178	 0.4513526533	 0.00929
+C	-2.6224987887	 2.5939389325	 0.9157712058	-0.055426
+C	-2.0050304034	 3.4020083174	 1.7779303963	-0.056371
+C	-0.6376377639	 3.1312049127	 2.3486737691	-0.277851
+C	 0.2028643498	 2.1970554905	 1.4666386951	-0.253471
+H	-0.2314870493	-0.3548702724	-0.4160335469	 0.284678
+H	-0.8657476843	-1.016806793	 1.8314339724	 0.097401
+H	-1.2981055604	 0.3138739842	 2.9435589524	 0.098608
+H	-2.1970230952	 1.1338905639	-0.6200853468	 0.0737
+H	-3.6213784959	 2.8314566891	 0.5587959357	 0.092097
+H	-2.5082686411	 4.3035957171	 2.1198319373	 0.094409
+H	-0.0990914576	 4.0748019492	 2.4930277561	 0.10948
+H	-0.7518854771	 2.7092811486	 3.358115855	 0.117771
+H	 0.5692243089	 2.7538524628	 0.5967090325	 0.116981
+H	 1.08601211	 1.8388439627	 2.0068137276	 0.10564
+19
+0 2386	2.7687386	1.4603147	1.2470454	3.3153	74.47	-0.23933	-0.01861	0.22071999999999997	1077.6305	0.15651	-422.581239	-422.572949	-422.572005	-422.614295	31.551
+C	-3.1757417293	-1.4417872005	 0.9479617123	-0.456143
+C	-2.179964311	-0.7455752521	 0.0417019432	 0.42614
+C	-0.7335939562	-1.2193510357	 0.1584085526	-0.362705
+C	 0.127163023	-0.0040663372	-0.202525038	 0.388342
+O	 1.2612869815	-0.0306291719	-0.5991590146	-0.300401
+C	-0.7026950414	 1.2653994015	 0.050410929	-0.341309
+C	-2.1661983181	 0.8248873006	 0.0078197415	-0.121755
+C	-2.7669331977	 0.6503900511	-1.3990091783	-0.085583
+O	-2.6118081011	-0.7824175259	-1.3494606266	-0.324822
+H	-2.890888302	-1.3318311549	 1.9999113869	 0.114588
+H	-4.177904263	-1.023765114	 0.8141807982	 0.121468
+H	-3.220863325	-2.5108016348	 0.7154492892	 0.130685
+H	-0.488898049	-1.5126447105	 1.1882198984	 0.122389
+H	-0.515956618	-2.0678284328	-0.4937401555	 0.140978
+H	-0.4285346912	 1.6391893474	 1.0456074386	 0.130082
+H	-0.4399699553	 2.0464620518	-0.6677562551	 0.131491
+H	-2.8007271578	 1.334904637	 0.7332933523	 0.079224
+H	-3.8200173855	 0.944312847	-1.4941435939	 0.101529
+H	-2.1992220827	 1.097216194	-2.22471421	 0.105802
+19
+0 2387	2.6204161	1.5430446	1.2867091	4.3423	74.74	-0.26165	0.01722	0.27887	1063.804	0.15738	-422.606703	-422.598575	-422.597631	-422.63944	31.202
+C	-2.7564307851	-1.5366076354	-1.1169862355	-0.454331
+C	-2.1801759576	-0.7614236983	 0.0473761966	 0.399702
+C	-2.8625320688	-0.8496793443	 1.4354169324	-0.25956
+C	-2.7130793422	 0.6906862195	 1.5940624883	-0.242025
+C	-2.2714967064	 0.7995879029	 0.1027758444	-0.059371
+C	-0.8608475375	 1.2892174013	-0.1758494273	-0.37933
+C	 0.0142722953	 0.0543125327	 0.0491782686	 0.407667
+O	 1.2068555759	-0.0013948029	 0.1200756947	-0.333757
+O	-0.771602857	-1.0539172563	 0.1572799563	-0.256584
+H	-2.6277431555	-2.6128218721	-0.96441065	 0.135536
+H	-3.8255553566	-1.3288099209	-1.2219330027	 0.118149
+H	-2.2567816329	-1.2642271269	-2.0523366043	 0.124219
+H	-3.9034408847	-1.1747893009	 1.3617873935	 0.105497
+H	-2.3446398537	-1.4789953397	 2.1612860161	 0.118807
+H	-3.6214352897	 1.2348236358	 1.8585203775	 0.108113
+H	-1.924834236	 0.9831008636	 2.293062666	 0.112344
+H	-3.0306530755	 1.2312584489	-0.5506363498	 0.078573
+H	-0.7188953005	 1.6201115361	-1.2104861285	 0.137562
+H	-0.5225466314	 2.1005502971	 0.4730858936	 0.138789
+19
+0 2388	2.8175949	1.4822631	1.2160457	4.4088	74.53	-0.26252	0.01646	0.27897999999999995	1082.7214	0.157607	-422.602749	-422.594661	-422.593717	-422.635474	31.041
+C	-3.1681109424	-1.2770720633	-1.0247408213	-0.479229
+C	-2.1872354024	-0.7380537114	 0.0058014139	 0.32933
+C	-2.7901206197	-0.5522911738	 1.4412959328	-0.283153
+C	-2.7736976016	 0.9908963564	 1.2455902905	-0.234366
+C	-1.929201192	 0.8053829956	-0.0315001841	 0.072533
+O	-0.5312697018	 0.9958109082	 0.2043167688	-0.228391
+C	 0.158102234	-0.1816930063	 0.2422473179	 0.420735
+O	 1.332832992	-0.2223957562	 0.4597948038	-0.330991
+C	-0.7899829407	-1.3452682965	-0.0468365868	-0.438001
+H	-3.3861152939	-2.3348887054	-0.8412544544	 0.125235
+H	-4.119494365	-0.7347257118	-0.9928335171	 0.11903
+H	-2.7653010332	-1.1874878921	-2.0397706458	 0.120522
+H	-3.7713766687	-1.0067991914	 1.5947042978	 0.106455
+H	-2.1243609282	-0.8983962434	 2.2360883438	 0.110584
+H	-3.7602704422	 1.4094564267	 1.0323182069	 0.110205
+H	-2.2975799526	 1.5879145465	 2.0250822491	 0.121128
+H	-2.2057452362	 1.3725759677	-0.9241224208	 0.085606
+H	-0.5414891617	-1.7398431135	-1.0391032697	 0.13426
+H	-0.6156025739	-2.1480093661	 0.6735389847	 0.138507
+19
+0 2389	2.6559165	1.4784282	1.2459228	3.3664	74.56	-0.24007	-0.01875	0.22132000000000002	1080.0809	0.156662	-422.577637	-422.569361	-422.568416	-422.61073	31.39
+C	-3.1632928397	-1.4311916132	-0.9595892916	-0.484407
+C	-2.239703625	-0.7680373015	 0.048977103	 0.271455
+C	-2.7918965444	-0.583579962	 1.4828640519	-0.111106
+O	-2.5373060233	 0.8358980099	 1.4584113939	-0.295205
+C	-2.150820763	 0.7989230073	 0.0665904049	 0.091177
+C	-0.7049574485	 1.2179945917	-0.1278119243	-0.338639
+C	 0.1097055028	-0.0330527444	 0.2246781941	 0.392012
+O	 1.2537765008	-0.0556168047	 0.5912163414	-0.300289
+C	-0.7857740216	-1.2632366543	 0.007443701	-0.390731
+H	-3.2530498785	-2.5063543598	-0.7665627116	 0.124106
+H	-4.1690145559	-0.9998111554	-0.9208910613	 0.121873
+H	-2.7844723337	-1.3110368758	-1.9808738473	 0.118441
+H	-3.8626817155	-0.8043348954	 1.5867224041	 0.098156
+H	-2.2443689719	-1.0848976319	 2.290387835	 0.106267
+H	-2.8663836956	 1.3382339109	-0.5646871811	 0.072637
+H	-0.5040925676	 1.4728953027	-1.1775337057	 0.124422
+H	-0.4162977513	 2.072360392	 0.4879509046	 0.142474
+H	-0.5396671464	-1.6699780678	-0.982753538	 0.126873
+H	-0.5515597416	-2.0422736083	 0.7376077969	 0.130484
+19
+0 2390	2.6536162	1.4402412	1.2369031	1.9211	74.25	-0.23962	-0.02017	0.21945	1080.9339	0.156789	-422.58513	-422.576884	-422.57594	-422.618217	32.017
+O	-3.0453240013	-1.3838831004	 0.9993887545	-0.48441
+C	-2.2734443373	-0.7608006907	-0.0014077814	 0.423911
+C	-3.005183983	-0.768344487	-1.3612069312	-0.260525
+C	-2.6479978249	 0.730449394	-1.5547256674	-0.240204
+C	-2.2259142241	 0.8208175809	-0.0579800039	-0.0688
+C	-0.7983098043	 1.2715874845	 0.2229029942	-0.34395
+C	 0.0630108874	 0.0576467023	-0.1501251678	 0.391114
+O	 1.219220957	 0.084753061	-0.4803461846	-0.304236
+C	-0.7996849906	-1.2083097932	-0.0311599845	-0.404925
+H	-2.5749096142	-1.3262515411	 1.8381398109	 0.271991
+H	-2.6530855845	-1.4782702292	-2.1137817218	 0.10097
+H	-4.074262075	-0.9224811428	-1.2000121673	 0.117809
+H	-1.8047907426	 0.8861660271	-2.2348646102	 0.108302
+H	-3.4607098096	 1.3875447615	-1.8688856679	 0.108336
+H	-2.9832007083	 1.2895295048	 0.5718786423	 0.076319
+H	-0.4712465884	 2.1592741266	-0.3249714197	 0.128886
+H	-0.6405206521	 1.4741022357	 1.2918586798	 0.121339
+H	-0.5547437454	-1.9173923292	-0.826053018	 0.135048
+H	-0.5342408888	-1.6999254347	 0.9145788239	 0.123025
+19
+0 2391	2.494766	1.9021788	1.3937627	0.7937	73.6	-0.24738	0.07302	0.3204	980.6696	0.157764	-422.538488	-422.53079	-422.529846	-422.570461	29.995
+C	 0.0094798408	-0.3946804553	 0.1945007978	-0.484257
+C	 1.4876031348	-0.0871878242	 0.0209551601	 0.245803
+C	 1.9563917169	 1.3715557905	 0.2148685976	-0.121619
+O	 2.9550012719	 0.9750333248	 1.1739596891	-0.295581
+C	 2.4930104104	-0.3978106883	 1.1778461011	 0.097632
+C	 3.5830244173	-1.3632816632	 0.687273536	-0.267256
+C	 3.3319301673	-1.4851445703	-0.8063919609	 0.047754
+O	 2.1076190073	-2.1792918025	-1.0988778623	-0.265133
+C	 2.116599107	-0.7511949908	-1.190358231	-0.020259
+H	-0.3696583041	 0.0055002302	 1.1400862235	 0.118128
+H	-0.5817229473	 0.0473739895	-0.6159257044	 0.117004
+H	-0.1580130675	-1.4753552439	 0.1815342673	 0.139392
+H	 2.3959313551	 1.8716996677	-0.6579997803	 0.097928
+H	 1.1997962241	 2.0320658489	 0.6592512501	 0.096452
+H	 2.0630390063	-0.6675082745	 2.1490694519	 0.072628
+H	 4.5670817185	-0.9368715832	 0.9044792415	 0.118076
+H	 3.5195486174	-2.3457478463	 1.1661812957	 0.112185
+H	 4.1454286283	-1.6772898404	-1.5015246287	 0.096847
+H	 1.9565782958	-0.3426684885	-2.1872615241	 0.094278
+19
+0 2392	2.4957536	1.8029908	1.5977262	3.0064	73.39	-0.23715	0.07283	0.30998000000000003	955.9131	0.157765	-422.537473	-422.529899	-422.528955	-422.569045	30.042
+C	 0.312140839	-0.6429630586	 0.6511159132	-0.473432
+C	 1.5818991419	 0.0133861295	 0.1512311247	 0.430723
+O	 1.3670377444	 1.3824186019	-0.2703825524	-0.323694
+C	 2.4953431329	 1.8462295895	 0.5053273849	-0.080525
+C	 2.6947192171	 0.4565129068	 1.1498666087	-0.125449
+C	 3.9705438096	-0.3608082902	 0.8722293583	-0.273175
+C	 3.7133808916	-1.0414510603	-0.4615832522	 0.04524
+O	 3.4036061048	-0.1190562254	-1.5091464038	-0.247816
+C	 2.3202486065	-0.820733898	-0.8931213467	-0.017417
+H	-0.1217776631	-0.0647318106	 1.47097712	 0.124586
+H	-0.4281427733	-0.7020559187	-0.1540466459	 0.130795
+H	 0.5118010666	-1.6600771198	 1.0067778129	 0.117514
+H	 3.3190510795	 2.1800187845	-0.134158676	 0.111025
+H	 2.2059046374	 2.6540641787	 1.1875598878	 0.095059
+H	 2.4017879763	 0.4272953876	 2.2006171683	 0.080103
+H	 4.8733026095	 0.2592206456	 0.839339441	 0.115509
+H	 4.1262878541	-1.1191341529	 1.6482240435	 0.104676
+H	 4.2917786152	-1.9124124711	-0.7627930231	 0.094579
+H	 1.7799174299	-1.5073324383	-1.5416174734	 0.091698
+19
+0 2393	2.5981004	1.8824839	1.4120558	0.973	73.62	-0.2355	0.07447	0.30996999999999997	976.7183	0.157197	-422.529695	-422.521898	-422.520954	-422.561796	30.493
+C	 0.2806721018	-0.3336600782	 0.9382864545	-0.45081
+C	 1.5908070414	-0.1027077609	 0.2130379958	 0.395554
+O	 1.4463683124	-0.3235853067	-1.2188950564	-0.332572
+C	 2.5112887868	-1.2987604231	-1.2346454414	-0.104668
+C	 2.7427228462	-1.1461481649	 0.2827535802	 0.008361
+O	 3.9477543815	-0.509008686	 0.6688777715	-0.273317
+C	 3.7442084077	 0.8896462294	 0.6937705641	 0.09622
+C	 2.9329127161	 1.4135467214	 1.8474826156	-0.325399
+C	 2.2979872607	 1.2159648298	 0.4821571056	-0.120282
+H	 0.401369925	-0.2132074674	 2.0188716282	 0.120639
+H	-0.4668563139	 0.3889739931	 0.5950580371	 0.129915
+H	-0.1031002252	-1.3376349215	 0.7356039118	 0.120446
+H	 2.1553817534	-2.2805651446	-1.5692458535	 0.101839
+H	 3.3642366092	-0.9870382215	-1.8480437541	 0.106909
+H	 2.6023894951	-2.0418084963	 0.89096371	 0.08876
+H	 4.5666656089	 1.4528093019	 0.26819278	 0.102524
+H	 2.7010526707	 0.712920358	 2.6431729994	 0.117782
+H	 3.0943522662	 2.435182471	 2.1750148149	 0.115904
+H	 1.9746374161	 2.0764486865	-0.0919955032	 0.102196
+19
+0 2394	2.5297929	1.8847068	1.3984924	2.0406	73.27	-0.24413	0.07616	0.32029	976.0792	0.158391	-422.548048	-422.540588	-422.539644	-422.579661	30.161
+O	 0.1983147335	 0.0502324826	-0.0694746857	-0.486902
+C	-0.7050242352	 0.2602586959	 0.9836446788	 0.423476
+C	-0.4244468037	 1.5363362259	 1.7970579972	-0.286894
+C	-1.9438473622	 1.85746901	 1.7814105976	-0.232137
+C	-2.1687467436	 0.7693433286	 0.6853412034	-0.062752
+C	-3.1793564273	-0.3432191579	 1.0178030677	-0.274817
+C	-2.3540870528	-1.3814208629	 1.7670975932	 0.058634
+O	-1.4009971418	-2.0544086599	 0.9253821047	-0.27149
+C	-0.9324273318	-1.0078450817	 1.7937883646	-0.058249
+H	-0.036871213	-0.8003640381	-0.4630423737	 0.286359
+H	 0.0632465206	 1.4154366968	 2.7683519327	 0.095968
+H	 0.1588914058	 2.2364939754	 1.1948841768	 0.118275
+H	-2.4414954649	 1.6063908819	 2.7228087119	 0.098206
+H	-2.2207789328	 2.8779340525	 1.51084741	 0.105876
+H	-2.2794207407	 1.1938503516	-0.3136769801	 0.074806
+H	-4.0007423969	 0.027447762	 1.6411405201	 0.102113
+H	-3.6256841504	-0.7977060766	 0.1269640626	 0.113319
+H	-2.8031630567	-2.0127810855	 2.5300960234	 0.097789
+H	-0.2342002661	-1.3182282308	 2.5685933648	 0.098416
+19
+0 2395	2.5451331	1.8875322	1.4057294	1.4455	73.5	-0.23247	0.07569	0.30816	975.2669	0.157633	-422.537293	-422.529592	-422.528648	-422.569137	30.882
+O	 0.2332291008	 0.3528764725	-0.1903709273	-0.485111
+C	-0.5622097647	 0.8246867086	 0.869626168	 0.397598
+C	-1.3298054048	-0.3124409263	 1.5850296406	-0.284404
+C	-2.621212858	 0.5513634127	 1.5628063937	-0.247358
+C	-1.9272544027	 1.5431548829	 0.5831101321	 0.052307
+O	-1.8625547614	 2.9012180495	 0.9960366623	-0.270547
+C	-0.7490226916	 3.0456886798	 1.848588771	 0.110065
+C	 0.5858119749	 3.130776238	 1.1643464317	-0.342012
+C	 0.1204088564	 1.8223035132	 1.7951444223	-0.1542
+H	 0.8354810547	 1.0579723047	-0.4507739663	 0.277376
+H	-1.3934637678	-1.1851830748	 0.9318363047	 0.116675
+H	-0.9476877917	-0.6273352895	 2.5589748145	 0.098004
+H	-3.5242943047	 0.0633192298	 1.192567446	 0.105585
+H	-2.8467341643	 1.030377292	 2.5178745303	 0.108862
+H	-2.2833530168	 1.498829454	-0.4479835426	 0.085628
+H	-0.9552256563	 3.5991119605	 2.7583339722	 0.100761
+H	 0.5667052948	 3.2407209078	 0.0838465135	 0.117016
+H	 1.3975391382	 3.6535553073	 1.6585884895	 0.117546
+H	 0.648424485	 1.4554496772	 2.6681883438	 0.096209
+19
+0 2396	2.5144761	1.8823129	1.3874917	0.4649	73.74	-0.24906	0.06124	0.3103	980.6145	0.158264	-422.541449	-422.533852	-422.532908	-422.57322	30.338
+O	 0.2589845315	 0.3615264227	-0.1600510363	-0.478319
+C	-0.4917855572	 0.9077171793	 0.8929623778	 0.314076
+C	-1.1188713041	-0.0562354923	 1.9246182504	-0.134134
+O	-2.3974902394	 0.5924040101	 1.804884706	-0.2916
+C	-1.9667123883	 1.3860514558	 0.6701490517	 0.074397
+C	-2.0782814516	 2.8871110894	 0.9483502234	-0.257416
+C	-0.7220073079	 3.28376021	 1.5364617476	-0.027873
+C	 0.445914416	 3.2732482978	 0.5854595927	-0.290993
+C	 0.2218052771	 2.0957795719	 1.4986536133	-0.054357
+H	-0.2211688278	-0.3943270633	-0.5151263799	 0.279645
+H	-1.1503226479	-1.1017803357	 1.5808070021	 0.082622
+H	-0.7290167465	-0.0291796177	 2.9488758726	 0.105109
+H	-2.4545966674	 1.0534812846	-0.2552944545	 0.06302
+H	-2.3111529512	 3.4543037323	 0.0398982917	 0.098946
+H	-2.8932596819	 3.0531252612	 1.6590896492	 0.116831
+H	-0.6972723762	 3.972508972	 2.372943625	 0.084995
+H	 0.2530904805	 3.1415052272	-0.4745438567	 0.11847
+H	 1.2908145587	 3.9156860649	 0.8068583629	 0.110303
+H	 0.9310578735	 1.9116246199	 2.2982050712	 0.086277
+19
+0 2397	2.5755905	1.6136854	1.3611417	2.6934	74.74	-0.24498	0.06106	0.30604	1030.3719	0.155906	-422.501553	-422.493279	-422.492335	-422.534245	31.564
+C	-0.097340127	-0.4782145439	 1.070018938	-0.51038
+C	 1.2385897361	-0.2384354455	 0.4067326872	 0.208102
+C	 1.2897430579	 0.580358712	-0.9024887775	-0.119523
+O	 2.3294099527	 1.4472452922	-0.3889793451	-0.292657
+C	 2.3512836915	 0.7604024946	 0.8741266621	 0.065587
+C	 3.4034477137	-0.3768056477	 0.9108477736	-0.334502
+C	 2.3093285423	-1.3426854258	 0.4250992255	 0.394785
+C	 2.1536630082	-2.7746052247	 0.6851299581	-0.268953
+O	 2.4739709258	-2.2815116707	-0.6238308042	-0.270626
+H	 0.0226206933	-0.88665329	 2.0788657446	 0.119512
+H	-0.6719195274	 0.4508192023	 1.146688108	 0.124476
+H	-0.6976816985	-1.1914922907	 0.4923765073	 0.127592
+H	 1.5988223131	 0.0341381549	-1.8005850695	 0.118931
+H	 0.3721902351	 1.1440014674	-1.114621509	 0.097786
+H	 2.2739930201	 1.4366341022	 1.7290747656	 0.076299
+H	 4.2376084292	-0.2262998511	 0.2223371071	 0.126428
+H	 3.7869712035	-0.6103161639	 1.9085153476	 0.106812
+H	 2.9527697584	-3.3196475299	 1.1871199299	 0.115894
+H	 1.1600113919	-3.2088948018	 0.7888687608	 0.114437
+19
+0 2398	2.6543841	1.6204207	1.3618639	3.1272	75.2	-0.23978	0.05764	0.29742	1029.5164	0.155877	-422.502161	-422.493889	-422.492945	-422.534904	31.576
+C	 0.1978741451	 0.7565419526	 0.150319745	-0.491967
+C	 1.5768557408	 0.1793167324	-0.0244200077	 0.35909
+O	 1.5794634826	-1.0148707867	-0.8481152097	-0.321515
+C	 2.5707540108	-0.4625040137	-1.7449108343	-0.082005
+C	 2.7744378892	 0.7676389813	-0.8529305179	-0.134839
+C	 3.7339693953	 0.5150604232	 0.3465148035	-0.34552
+C	 2.5299354801	 0.033169377	 1.1721799047	 0.423846
+C	 2.2575813633	 0.2308331394	 2.5988871538	-0.263318
+O	 2.5317612605	-1.0667137653	 2.0551622738	-0.260217
+H	-0.4347486632	 0.0504798118	 0.700174222	 0.137675
+H	 0.230964358	 1.6968913593	 0.7092739978	 0.116968
+H	-0.2699579035	 0.9403283089	-0.8211846121	 0.125246
+H	 3.4357786719	-1.1250754432	-1.8706543071	 0.103505
+H	 2.137600552	-0.249277062	-2.7310434602	 0.099428
+H	 2.7742024385	 1.7569200139	-1.3070401663	 0.079441
+H	 4.4973312543	-0.2474752705	 0.1686477652	 0.117067
+H	 4.2177423669	 1.4118667598	 0.7414185628	 0.109044
+H	 3.0357095767	 0.6462074544	 3.2390315196	 0.113009
+H	 1.2370666907	 0.3833158673	 2.9476208671	 0.115061
+19
+0 2399	2.6224354	1.6592521	1.3930241	1.2976	75.28	-0.23025	0.0638	0.29405000000000003	1021.1914	0.15553	-422.500335	-422.492028	-422.491084	-422.532935	31.934
+C	-1.201727505	-1.2381492747	-1.7663608799	-0.487942
+C	-1.0750901876	-0.3459148073	-0.5643771605	 0.28286
+O	-1.8628823507	 0.865965499	-0.6662646757	-0.325357
+C	-2.3998877691	 0.6923437754	 0.6701518934	-0.105701
+C	-1.5591960859	-0.5725411226	 0.8899616129	 0.019645
+O	-0.2478876415	-0.3041406024	 1.4190308195	-0.328684
+C	 0.2799593187	-0.0942336757	 0.0979254568	 0.431684
+C	 1.3085489642	 0.9376678459	-0.1985499536	-0.326186
+C	 1.6525587091	-0.5453803759	-0.2789430318	-0.346984
+H	-0.6563111892	-2.1741838697	-1.6166231675	 0.128786
+H	-2.2518061493	-1.4654765383	-1.9692129002	 0.128202
+H	-0.7911214371	-0.738357729	-2.6513530746	 0.132523
+H	-2.1596882312	 1.5259331873	 1.3382795717	 0.113512
+H	-3.4852240487	 0.5325312342	 0.6420222088	 0.102243
+H	-2.0132483971	-1.4714624648	 1.3090309836	 0.090466
+H	 1.2133553708	 1.5070792407	-1.1171317845	 0.124507
+H	 1.7019359481	 1.4941999554	 0.6451548032	 0.125515
+H	 1.8053871825	-0.9935239025	-1.2555365158	 0.115489
+H	 2.2651159489	-0.9605381748	 0.5143148243	 0.125422
+19
+0 2400	2.5926628	1.6095906	1.3755257	2.0637	75.05	-0.24686	0.06541	0.31227	1026.3713	0.156211	-422.511433	-422.503167	-422.502223	-422.544281	32.019
+O	-1.9540384237	 0.325605318	 0.2554094428	-0.48017
+C	-1.0849864474	-0.4081066165	-0.5505222873	 0.322809
+C	-1.0345488164	-1.9489827414	-0.4043827829	-0.30006
+C	-1.0782731069	-2.1050532741	-1.9558303269	-0.218774
+C	-1.1327976971	-0.5655628131	-2.1387328778	-0.103729
+C	 0.2682058678	 0.1006752298	-2.2370723002	-0.334166
+C	 0.2843107619	 0.2475716468	-0.7087473204	 0.425457
+C	 0.8597560547	 1.2968387633	 0.1295429466	-0.259574
+O	 1.3885213829	-0.039426963	 0.1320459087	-0.276527
+H	-2.7524912399	-0.1928071904	 0.3995022396	 0.279204
+H	-0.1579561883	-2.3381247896	 0.1189665128	 0.122904
+H	-1.9300822947	-2.343240346	 0.0879087255	 0.089981
+H	-0.2075388378	-2.5892530406	-2.4050085775	 0.104068
+H	-1.9734808553	-2.6213343902	-2.3102007205	 0.101066
+H	-1.9254855862	-0.1492763961	-2.7595085874	 0.068673
+H	 1.0604611484	-0.5328442347	-2.6458722717	 0.110292
+H	 0.2763140166	 1.0579195445	-2.7650420911	 0.108678
+H	 1.5037850373	 2.0515233017	-0.321084912	 0.111134
+H	 0.3425038441	 1.5952773416	 1.0387866795	 0.128734
+19
+0 2401	2.6311503	1.6265527	1.3685544	0.571	75.22	-0.22961	0.06873	0.29834	1026.8997	0.156125	-422.508932	-422.500754	-422.49981	-422.5414	32.166
+O	 1.5121683114	 2.4468890617	-1.9669874849	-0.467075
+C	 0.5914563589	 2.2639379441	-0.9440331968	 0.274799
+C	-0.8776370982	 2.4997320773	-1.3538317795	-0.274649
+C	-1.1056961522	 3.3486016142	-0.0608637708	-0.230439
+C	 0.3707798451	 3.1371281558	 0.3447296149	 0.031856
+O	 0.5553003072	 1.9748177363	 1.1885995445	-0.3239
+C	 0.8124890821	 1.1357489507	 0.0607980162	 0.396018
+C	 1.9114483177	 0.1184006996	 0.0639109457	-0.358556
+C	 0.4470097075	-0.3063983762	 0.0274717754	-0.335721
+H	 2.3919893323	 2.2746105242	-1.6116296408	 0.283532
+H	-0.9357523117	 3.0930208034	-2.2686764269	 0.115226
+H	-1.4871645096	 1.6011185674	-1.4735226444	 0.103666
+H	-1.362137343	 4.3908741213	-0.2648890322	 0.105145
+H	-1.8125166327	 2.9415330002	 0.6642732638	 0.113383
+H	 0.9751828273	 3.9877078019	 0.6669960384	 0.078575
+H	 2.5018383115	-0.013116639	-0.838328197	 0.113915
+H	 2.4530231349	-0.0224142942	 0.9930408263	 0.126932
+H	 0.0528698542	-0.7221704866	-0.8945322906	 0.120488
+H	 0.0305400774	-0.7304237621	 0.9347854187	 0.126805
+19
+0 2402	2.6347823	1.5917384	1.3490553	2.4169	75.08	-0.24116	0.06136	0.30252	1030.4335	0.156643	-422.506957	-422.498863	-422.497919	-422.539292	31.785
+O	-0.713533751	-1.214143733	-1.9107232147	-0.464361
+C	-0.9602234465	-0.5459860513	-0.7182062184	 0.278579
+C	-1.8334917676	 0.7051115306	-0.8704281524	-0.11037
+O	-2.6488127503	 0.3316473929	 0.2660336581	-0.291546
+C	-1.9638297239	-0.925195049	 0.4321531519	 0.038136
+C	-0.8197354312	-0.8398004716	 1.4727181729	-0.327016
+C	 0.1497253758	-0.4432577608	 0.3410803011	 0.296797
+C	 1.5515420142	-0.9538543709	 0.1488436119	-0.34708
+C	 1.2983621325	 0.5188260782	 0.3732004519	-0.321559
+H	-0.1479658713	-1.9705001185	-1.7189502992	 0.28281
+H	-1.3451438627	 1.6772933133	-0.7376512147	 0.10218
+H	-2.413493421	 0.7022663031	-1.8014047259	 0.108098
+H	-2.640966179	-1.7825741563	 0.4441225259	 0.077743
+H	-0.993854713	-0.0890449601	 2.246975511	 0.113496
+H	-0.5770567071	-1.7979552502	 1.943393263	 0.099447
+H	 1.9981550655	-1.5331644871	 0.9507601734	 0.116799
+H	 1.8556169786	-1.2590635859	-0.8486648898	 0.111627
+H	 1.5755097151	 0.9462831118	 1.3313130939	 0.117811
+H	 1.4307594227	 1.1880611747	-0.4713436198	 0.11841
+19
+0 2403	2.3741741	1.5306248	1.3636424	3.7166	75.51	-0.24361	-0.0289	0.21470999999999998	1061.625	0.155178	-422.531724	-422.522946	-422.522002	-422.565737	32.121
+C	 0.0935854885	-0.4787070462	-3.4987150232	-0.500674
+C	 1.0792761018	-1.061469254	-2.5136150545	 0.256359
+C	 2.5908942054	-1.111811505	-2.8992416604	-0.291848
+C	 2.6622936207	-2.6088496947	-2.4645608015	-0.230306
+C	 1.1675316946	-2.5588670308	-2.0792394635	 0.087036
+O	 0.9602223472	-2.2244179947	-0.6912812165	-0.289575
+C	 0.8145314482	-0.8330427233	-0.9863510746	 0.009805
+C	 1.7674805974	 0.084933459	-0.2639573312	 0.145801
+O	 2.707513361	-0.26726527	 0.3988279223	-0.247738
+H	-0.9409498893	-0.6724282336	-3.1954399959	 0.123968
+H	 0.2190673117	 0.6072227167	-3.587800723	 0.124661
+H	 0.238383717	-0.9064833846	-4.4966210493	 0.123212
+H	 2.7391606914	-0.9662049496	-3.9721812199	 0.10433
+H	 3.2542055169	-0.4261859173	-2.3681405005	 0.118592
+H	 2.8940029296	-3.2988062993	-3.2796921135	 0.101859
+H	 3.3090921495	-2.8245374967	-1.612613281	 0.130607
+H	 0.4947879351	-3.3517145912	-2.4175312656	 0.077731
+H	-0.2123250994	-0.4807022184	-0.7931919602	 0.086528
+H	 1.5337386826	 1.1657799538	-0.4223566179	 0.069653
+19
+0 2404	2.2619658	1.5054171	1.3757377	2.8732	75.3	-0.24269	-0.02675	0.21594	1067.3313	0.155503	-422.532567	-422.523834	-422.52289	-422.566329	31.999
+C	 0.1445351981	-1.2010465019	-3.2055990125	-0.507026
+C	-0.1656583808	-0.5682779953	-1.8688448668	 0.292214
+C	-0.5850327826	 0.9212354873	-1.8477049669	-0.131963
+O	-1.7705876536	 0.6328471904	-1.0625850658	-0.292263
+C	-1.4724842794	-0.7695006912	-1.0392797527	 0.083043
+C	-0.6613477939	-1.1874244845	 0.2131517097	-0.274809
+C	 0.6550674862	-1.0318158859	-0.6291434028	-0.150482
+C	 1.7511904111	-0.1712733319	-0.0672305089	 0.143714
+O	 2.277144842	 0.7505893017	-0.6403931797	-0.249739
+H	 0.1952511021	-2.2931563272	-3.131192922	 0.114661
+H	-0.618234729	-0.9498470407	-3.9502273517	 0.1237
+H	 1.1113072775	-0.8486861789	-3.5836940855	 0.134928
+H	 0.0889873595	 1.6258004862	-1.3551392901	 0.127055
+H	-0.8539894572	 1.3116016167	-2.837578739	 0.099085
+H	-2.3211872623	-1.3922644502	-1.3367840117	 0.076779
+H	-0.7796422201	-0.4845596325	 1.0411653087	 0.120009
+H	-0.8448994047	-2.2021972245	 0.572489663	 0.108743
+H	 1.1029126733	-2.0192936143	-0.8044195873	 0.1028
+H	 2.0652131038	-0.4551789432	 0.9651522321	 0.07955
+19
+0 2405	2.4476201	1.5078509	1.3954672	3.3022	75.08	-0.24315	-0.01726	0.22589	1050.6564	0.15556	-422.538618	-422.529922	-422.528978	-422.572266	32.004
+C	-0.0783177636	-1.1123435005	-3.3315844504	-0.482319
+C	-0.261738566	-0.6620226058	-1.9078645386	 0.444038
+O	-0.5237378907	 0.7545909088	-1.7925392138	-0.320087
+C	-1.6444247914	 0.5219562183	-0.8995938936	-0.091787
+C	-1.4408467816	-1.0044587606	-0.9479785741	-0.126098
+C	-0.4480899718	-1.5585425849	 0.1035991932	-0.255652
+C	 0.7489389525	-1.1553948647	-0.7997774924	-0.163474
+C	 1.6513600159	-0.0615896105	-0.2910288382	 0.166798
+O	 1.5822238937	 0.4277430898	 0.8079903415	-0.251326
+H	 0.0472252652	-2.1984020653	-3.385438229	 0.120312
+H	-0.9424287214	-0.8271837606	-3.9389263694	 0.12861
+H	 0.8110558609	-0.6434957998	-3.7680618234	 0.131724
+H	-1.4966155028	 0.9952952506	 0.0778956223	 0.117217
+H	-2.5788839181	 0.885646142	-1.3425674646	 0.105491
+H	-2.2941150798	-1.618752309	-1.2338845626	 0.07749
+H	-0.4589347795	-1.0677015253	 1.078931547	 0.126156
+H	-0.5312957763	-2.6376841251	 0.246553395	 0.105142
+H	 1.3710809411	-1.9894369075	-1.1443223282	 0.089447
+H	 2.4102084038	 0.2890956201	-1.0259508607	 0.078319
+19
+0 2406	3.0274357	1.4434048	1.1753793	2.929	75.63	-0.23828	-0.03536	0.20292	1087.578	0.156672	-422.546016	-422.537754	-422.536809	-422.579088	31.551
+O	-0.9679877729	-1.3360113064	 0.6328952071	-0.478736
+C	-0.5179191443	-1.4829315218	-0.6673515574	 0.428623
+C	-1.0708815497	-2.7585489279	-1.351559077	-0.272406
+C	-1.6423977101	-1.9055061344	-2.5246832242	-0.219566
+C	-0.9779154157	-0.6405452194	-1.9380862458	-0.087658
+C	 0.5133908075	-0.4730178171	-2.3335271382	-0.251485
+C	 0.9709404599	-1.1750881344	-0.9938216128	-0.18409
+C	 1.6499401561	-0.170679789	-0.1126669636	 0.149588
+O	 1.1284175583	 0.4404488859	 0.7955443036	-0.272373
+H	-0.5133832251	-0.5632019997	 1.003580631	 0.292773
+H	-0.3210111759	-3.5084899168	-1.6194206393	 0.093061
+H	-1.8333526336	-3.2346375441	-0.7324784671	 0.119488
+H	-1.3263794878	-2.1856098622	-3.5337824646	 0.093886
+H	-2.7336472024	-1.8566865603	-2.510726908	 0.107923
+H	-1.5653418086	 0.2757155562	-1.8762787928	 0.073061
+H	 0.8180358696	-1.0064320553	-3.2369202172	 0.110407
+H	 0.8450079521	 0.5648144523	-2.4213168965	 0.113872
+H	 1.638881682	-2.0346003845	-1.1250859331	 0.089015
+H	 2.7099792105	 0.0364607288	-0.3810099942	 0.094617
+19
+0 2407	2.405985	1.7603449	1.3938398	0.4635	75.25	-0.24524	0.01938	0.26462	1005.1231	0.157846	-422.558509	-422.550556	-422.549612	-422.590731	31.117
+O	 0.499760146	 0.7134927776	 1.0826921154	-0.487258
+C	-0.7572860921	 1.032819059	 0.5320255694	 0.340454
+C	-1.6637796336	-0.159657857	 0.1359099351	-0.121048
+O	-2.6930283992	 0.2558971788	 1.0498918769	-0.290446
+C	-1.9011364614	 1.363847233	 1.5396903493	 0.078653
+C	-2.632650793	 2.6914859365	 1.3832423732	-0.281348
+C	-2.7140240617	 3.121782259	-0.0591984273	-0.050626
+C	-1.7535624641	 2.8377552631	-0.9373795916	-0.063392
+C	-0.5107040882	 2.0736143174	-0.5588847793	-0.299328
+H	 0.3771284856	 0.0230760164	 1.7433419972	 0.280275
+H	-2.0183915091	-0.1789500166	-0.9016903487	 0.104429
+H	-1.2422208559	-1.1424371735	 0.3920858084	 0.087452
+H	-1.6012513241	 1.2029215727	 2.5856530117	 0.061158
+H	-3.6319576812	 2.5881551444	 1.8209768568	 0.11725
+H	-2.1137404878	 3.4569742422	 1.9793575346	 0.112546
+H	-3.5825316644	 3.6968445141	-0.3670960742	 0.089272
+H	-1.833182935	 3.1835105724	-1.9639935712	 0.088163
+H	-0.0714474126	 1.5776437489	-1.4317549749	 0.10936
+H	 0.2592942017	 2.7629222715	-0.1854271408	 0.124432
+19
+0 2408	2.1262435	1.8962954	1.4476636	4.2257	74.14	-0.25812	0.01313	0.27125	1006.6312	0.158067	-422.599193	-422.591036	-422.590092	-422.631844	30.889
+C	-0.1893304072	 2.2590459154	 0.922567986	-0.475923
+C	-0.9473792369	 1.2909824997	 0.0262408427	 0.172718
+C	-1.4850542212	 1.815241074	-1.339386005	-0.262578
+C	-2.8125705993	 1.0471931126	-1.0878269929	-0.237588
+C	-2.3719498007	 0.7805965638	 0.3822276224	-0.070277
+C	-2.1749219954	-0.67667307	 0.7911232621	-0.104864
+O	-0.9154424499	-1.0818010716	 0.2225275966	-0.228093
+C	-0.1652474549	-0.0108426548	-0.1595134214	 0.414868
+O	 0.9490304025	-0.1332713093	-0.5816890753	-0.356003
+H	-0.029784685	 1.8443714348	 1.9240340768	 0.12148
+H	 0.7926298067	 2.4749424323	 0.490848086	 0.146257
+H	-0.7392114677	 3.1994321569	 1.0275057067	 0.114646
+H	-1.6162347742	 2.9004936465	-1.3192014727	 0.105758
+H	-0.9033681219	 1.5505481022	-2.2248910125	 0.121615
+H	-3.732977731	 1.620020383	-1.2137139712	 0.106479
+H	-2.8975159887	 0.1279397387	-1.6744785858	 0.114279
+H	-2.9204358021	 1.3577651685	 1.1280216165	 0.079654
+H	-2.1175401754	-0.8038783192	 1.8785427504	 0.11542
+H	-2.9461777576	-1.3471746734	 0.4010728605	 0.122149
+19
+0 2409	2.0950525	1.896113	1.4160814	1.9353	74.35	-0.23711	-0.02713	0.20998	1015.3861	0.156732	-422.570306	-422.561918	-422.560973	-422.603432	31.572
+C	-0.4391806916	 2.1944872066	 1.1592951916	-0.477518
+C	-0.9622788575	 1.2836808437	 0.0584983137	 0.185072
+C	-1.299443278	 1.9141568661	-1.333595225	-0.272877
+C	-2.62316112	 1.100030476	-1.3706318353	-0.257519
+C	-2.3876992426	 0.6776309887	 0.1105727381	 0.081681
+O	-2.2990819198	-0.7174234427	 0.3838433178	-0.264574
+C	-1.0277454434	-1.1888432286	-0.0179208599	-0.193875
+C	-0.0983401785	 0.028597334	-0.0885451672	 0.337637
+O	 1.0959214266	-0.0047934759	-0.2316967578	-0.316006
+H	-0.4575193177	 1.6944548534	 2.1337570727	 0.124965
+H	 0.5963211684	 2.4798892829	 0.9488506102	 0.141495
+H	-1.0434844886	 3.104004364	 1.2332471199	 0.115324
+H	-1.4610450086	 2.9917460481	-1.2481109458	 0.110301
+H	-0.5773674891	 1.7377668595	-2.1341142519	 0.1156
+H	-3.5352094164	 1.6668651572	-1.5667196292	 0.108655
+H	-2.5984206819	 0.243915463	-2.0493773861	 0.11332
+H	-3.0889957355	 1.1060271634	 0.8294557444	 0.086272
+H	-0.6596355729	-1.9221922454	 0.7066715613	 0.139117
+H	-1.0539702331	-1.677971434	-1.0052650315	 0.122929
+19
+0 2410	2.1735588	1.8849262	1.3711504	1.6389	74.26	-0.24057	-0.02287	0.2177	1017.9908	0.157072	-422.577934	-422.569603	-422.568659	-422.610787	31.36
+C	-0.4795051406	 2.2903774635	 1.0019548149	-0.48461
+C	-0.8202145283	 1.2173192512	-0.0140947191	 0.153186
+C	-0.9303143754	 1.6225635412	-1.5099202199	-0.110209
+O	-2.2011832955	 0.9598848091	-1.6440147536	-0.29928
+C	-2.2658044689	 0.6932784182	-0.2208543283	 0.089258
+C	-2.2846643258	-0.806314951	 0.0838799291	-0.240731
+C	-0.8444202285	-1.274133484	-0.1854051301	-0.324855
+C	 0.0252156614	-0.0554973468	 0.1406065771	 0.368945
+O	 1.180523061	-0.0746442803	 0.4808595269	-0.325682
+H	-0.7029192958	 1.957074888	 2.0208490681	 0.123134
+H	 0.5899628343	 2.5169988194	 0.9604853628	 0.143909
+H	-1.043346415	 3.208744631	 0.8129786702	 0.117156
+H	-1.0125253389	 2.7081348705	-1.6546780218	 0.105398
+H	-0.1756516066	 1.2263412213	-2.1997857556	 0.11261
+H	-3.0795980556	 1.2524779277	 0.2541808822	 0.074592
+H	-2.5458561992	-0.9530798424	 1.1389146069	 0.107433
+H	-3.0337741276	-1.3232675836	-0.5212434541	 0.119296
+H	-0.5233060909	-2.1465930971	 0.3859672279	 0.128193
+H	-0.7042657642	-1.506935436	-1.2484345336	 0.142255
+19
+0 2411	2.1726765	1.9394125	1.3695588	3.6391	74.38	-0.22962	-0.027	0.20262	1015.7041	0.157052	-422.575748	-422.567427	-422.566483	-422.608536	31.458
+C	-0.4225275489	 2.3346095929	 1.0196155039	-0.467015
+C	-0.8412663215	 1.2361030843	 0.0766544018	 0.336797
+O	-0.8534444411	 1.65481897	-1.3240545963	-0.328531
+C	-2.2440006393	 1.2895515496	-1.4690591154	-0.082806
+C	-2.3089858848	 0.739600898	-0.0315893873	-0.122329
+C	-2.2804397745	-0.7962924919	 0.1029764857	-0.24057
+C	-0.849753795	-1.2190187895	-0.2853593791	-0.330005
+C	 0.021231739	-0.0417239676	 0.1531276954	 0.385587
+O	 1.1710811342	-0.0822507616	 0.5048886929	-0.315179
+H	-0.5506551305	 2.0171731034	 2.0600259536	 0.120874
+H	 0.6354044711	 2.5664144287	 0.8683990909	 0.147751
+H	-1.0155557701	 3.2373287249	 0.8504571543	 0.118782
+H	-2.8694838414	 2.1676910579	-1.6696928808	 0.106506
+H	-2.3983372711	 0.555704044	-2.2707329849	 0.101118
+H	-3.0447656668	 1.2139435143	 0.6186142239	 0.081825
+H	-2.4771035587	-1.0745165601	 1.1443987546	 0.111479
+H	-3.0495034185	-1.2767823208	-0.5089603347	 0.108195
+H	-0.5090641354	-2.1523162184	 0.1656498613	 0.127148
+H	-0.7476594667	-1.322602088	-1.3730361799	 0.140372
+19
+0 2412	2.2112777	1.8773301	1.3582293	2.5624	74.3	-0.24659	-0.02836	0.21823	1015.7429	0.157608	-422.585005	-422.576917	-422.575973	-422.617556	31.508
+O	-0.5263506325	 2.0922303234	 1.0990332351	-0.486273
+C	-0.8729520167	 1.2191184236	 0.06649378	 0.344382
+C	-0.9136650898	 1.8182818318	-1.3767541975	-0.290911
+C	-2.3374865542	 1.2324075734	-1.5775302087	-0.23173
+C	-2.3586100753	 0.7530845255	-0.0943670732	-0.058438
+C	-2.3730912843	-0.7764253716	 0.111220029	-0.239109
+C	-0.9509978858	-1.2460096545	-0.2712635536	-0.325104
+C	-0.0796565356	-0.0846569433	 0.1831416183	 0.339961
+O	 1.0167810311	-0.1350229764	 0.6873445369	-0.337804
+H	 0.3527026634	 1.8131854783	 1.398374744	 0.286965
+H	-0.8996602779	 2.9080811448	-1.3083259789	 0.122647
+H	-0.1332972469	 1.5003992051	-2.0741474238	 0.10151
+H	-3.1042736379	 1.9640429099	-1.838212894	 0.108768
+H	-2.392989132	 0.4154564376	-2.3025274939	 0.097954
+H	-3.0743027196	 1.2790379015	 0.5382719223	 0.084226
+H	-2.5604641156	-1.0099198936	 1.1653447588	 0.114123
+H	-3.1535611072	-1.2678930342	-0.4768744002	 0.106851
+H	-0.6322104748	-2.1845174281	 0.1850074566	 0.129848
+H	-0.8515383583	-1.3548732933	-1.3594097671	 0.132134
+19
+0 2413	2.533024	1.6906293	1.4252797	1.145	76.27	-0.24136	0.00793	0.24928999999999998	1010.0461	0.157532	-422.544523	-422.53652	-422.535576	-422.576699	30.993
+C	-0.0354078165	-0.0636032884	 0.1491024413	-0.459412
+C	 1.476148776	-0.1303130288	 0.0603789666	 0.351581
+O	 1.9504743764	 0.296299882	-1.2642918903	-0.32351
+C	 2.8563855502	-0.8222503581	-1.3524187473	-0.127661
+C	 2.1523711515	-1.5080258857	-0.1581430304	 0.037274
+O	 2.8650056472	-2.0913034629	 0.8955908704	-0.266088
+C	 3.7351111084	-1.2309722609	 1.6125142887	-0.12729
+C	 3.2041336771	 0.1579856951	 1.8154265402	-0.088755
+C	 2.1745602728	 0.6535833668	 1.1336635737	-0.092933
+H	-0.381433593	-0.5009796821	 1.0914941117	 0.126626
+H	-0.3773012648	 0.9762729594	 0.1099324337	 0.124983
+H	-0.4924351478	-0.6053881604	-0.6836593679	 0.120592
+H	 2.798675112	-1.3235029479	-2.3238750246	 0.106146
+H	 3.897116505	-0.5311062138	-1.1570608504	 0.100251
+H	 1.4404842545	-2.2686781322	-0.4861565935	 0.095075
+H	 3.9042629026	-1.7198263281	 2.5793355035	 0.121022
+H	 4.7206227972	-1.1772061049	 1.1169648575	 0.107909
+H	 3.730487099	 0.7625525217	 2.5502231813	 0.100001
+H	 1.8309544721	 1.6716177593	 1.3014505959	 0.094189
+19
+0 2414	2.5339916	1.7807166	1.3014453	0.471	76.58	-0.23274	0.01264	0.24538000000000001	1017.0343	0.157337	-422.548795	-422.540718	-422.539773	-422.581048	31.633
+O	 0.4748778196	 0.525678545	 0.9954166482	-0.48425
+C	-0.760161952	 1.0179728241	 0.492017681	 0.347283
+C	-1.8182816675	-0.1134594064	 0.2597029267	-0.284944
+C	-2.4612228688	 0.2546759637	 1.6292170126	-0.257146
+C	-1.694705829	 1.5968097779	 1.6025247401	 0.066327
+O	-2.5621367899	 2.599386839	 1.1115565151	-0.264378
+C	-1.9013217123	 3.6722480909	 0.4649468828	-0.126291
+C	-0.9291605106	 3.2164865766	-0.5916088894	-0.085698
+C	-0.4312200608	 1.9837711546	-0.5989760216	-0.089438
+H	 0.2893789924	-0.182421177	 1.6213367952	 0.279662
+H	-2.4789802741	 0.1035675066	-0.5814671079	 0.116841
+H	-1.4068845863	-1.1192551364	 0.1393363047	 0.096379
+H	-3.5469632563	 0.3528480862	 1.6645939018	 0.115123
+H	-2.1388504668	-0.3977574954	 2.4456193517	 0.096023
+H	-1.1771357532	 1.9258472745	 2.5162493517	 0.060758
+H	-2.6938139519	 4.2823424222	 0.0173881318	 0.116599
+H	-1.3832709988	 4.3141294565	 1.2009274191	 0.102178
+H	-0.6516848708	 3.9435609982	-1.3500124999	 0.097278
+H	 0.2655324669	 1.6480947694	-1.3622313738	 0.097693
+19
+0 2415	2.4960025	1.7243571	1.2713897	0.8329	75.87	-0.24713	0.01035	0.25748	1039.4783	0.158069	-422.554014	-422.546042	-422.545098	-422.586425	31.139
+O	 0.6709262655	 0.3550343717	 0.5049745581	-0.486459
+C	-0.7291171208	 0.4957014227	 0.6817878529	 0.339127
+C	-1.1921156255	 0.2523539565	 2.1450201424	-0.14735
+O	-1.7078362698	-1.0516934485	 1.7984204448	-0.297437
+C	-1.5540054939	-0.783450649	 0.3796313459	 0.05559
+C	-2.8895552083	-0.5380183288	-0.3210821599	-0.229493
+C	-2.7390547255	 0.4549393933	-1.485303843	-0.272066
+C	-2.0235873	 1.7095168465	-1.0453791339	-0.056881
+C	-1.1404879509	 1.7339247325	-0.048374781	-0.092127
+H	 0.9522461496	-0.4336466447	 0.983031214	 0.283925
+H	-0.385401567	 0.2024779667	 2.8866247662	 0.098844
+H	-1.9786303207	 0.9264999366	 2.507061811	 0.101149
+H	-0.9722148779	-1.5710854505	-0.1161660094	 0.073423
+H	-3.3265241393	-1.4830040062	-0.6601777266	 0.100653
+H	-3.5783136493	-0.1125706136	 0.4167921606	 0.112405
+H	-2.193657357	-0.0072049211	-2.3213328613	 0.117854
+H	-3.7276220535	 0.7077885016	-1.8839619904	 0.108342
+H	-2.2519355212	 2.6276094972	-1.581070173	 0.094396
+H	-0.6355273545	 2.6534128872	 0.2355899827	 0.096106
+19
+0 2416	2.8170633	1.8454555	1.2978278	1.6137	74.28	-0.23934	0.07107	0.31040999999999996	998.7199	0.157196	-422.519301	-422.511638	-422.510694	-422.550699	31.29
+C	 0.4958721403	 0.5385015486	-2.1030303718	-0.499471
+C	 1.755152926	 0.4156009738	-1.2811511272	 0.345535
+C	 2.3171271558	 1.6436550832	-0.5529545044	-0.296001
+C	 3.5786762197	 1.047653802	 0.1370200515	-0.294821
+C	 3.471103191	-0.3867179643	-0.340249497	 0.467052
+O	 4.4500245601	-1.2614593509	 0.0790081847	-0.494973
+C	 2.9533311925	-0.423992215	-1.8181161202	-0.068616
+O	 2.2495894221	-1.6925156521	-1.5388157036	-0.345368
+C	 1.9695501892	-0.831589813	-0.3714718761	-0.068655
+H	-0.3464566621	 0.870778998	-1.4859777571	 0.115383
+H	 0.6214863537	 1.2698291414	-2.909301326	 0.115396
+H	 0.2408709943	-0.4272942877	-2.5473021643	 0.137056
+H	 2.5619709939	 2.4482405255	-1.2537022341	 0.104228
+H	 1.5969509879	 2.0483582039	 0.1653169077	 0.104228
+H	 4.5113936328	 1.5131485867	-0.1936413847	 0.111032
+H	 3.5445276242	 1.1125803328	 1.2281671027	 0.111033
+H	 4.2220086918	-2.1154294821	-0.3166324637	 0.286619
+H	 3.4992464153	-0.3442909002	-2.7602763502	 0.085172
+H	 1.3370865419	-1.2400809107	 0.4192019839	 0.085172
+19
+0 2417	2.901208	1.8340413	1.310598	1.2314	74.91	-0.23618	0.07553	0.31171	1003.5664	0.156189	-422.507764	-422.49986	-422.498916	-422.53941	31.509
+C	 4.5386092509	 0.3646044514	 1.406632536	-0.508804
+C	 3.3129363246	 0.1627446128	 0.5546725079	 0.289952
+C	 3.2048807554	-1.0236970985	-0.3901267458	-0.151605
+O	 1.9077148611	-0.8226092635	-0.9831017858	-0.312599
+C	 1.4474038108	 0.3583152501	-0.3678058637	 0.460523
+C	 0.0864837907	 0.7794994107	-0.8334617409	-0.496512
+C	 2.6273268396	 1.3680620943	-0.1757044891	-0.061687
+O	 2.0423274462	 1.846919001	 1.0805535399	-0.319421
+C	 1.8758918767	 0.3912718902	 1.1368583473	-0.061661
+H	 4.6995763557	-0.4840422934	 2.0806269683	 0.11936
+H	 5.4381300116	 0.4748653868	 0.7909361387	 0.119354
+H	 4.4199833229	 1.2682361843	 2.01059858	 0.141882
+H	 3.9766280524	-1.0241263633	-1.1702332484	 0.105744
+H	 3.2332458567	-1.9904680134	 0.1282454056	 0.105744
+H	-0.2004540248	 1.69727468	-0.3152180957	 0.14093
+H	 0.0867902329	 0.96125846	-1.9123400699	 0.127897
+H	-0.6522940559	 0.0010029876	-0.6209326599	 0.127892
+H	 3.05574263	 2.1046599288	-0.8571568984	 0.086506
+H	 1.4067911925	-0.0387841258	 2.0231373941	 0.086506
+19
+0 2418	2.8916139	1.8446122	1.326968	1.265	74.73	-0.23664	0.06527	0.30191	985.3132	0.157093	-422.527286	-422.519498	-422.518554	-422.558787	31.483
+C	-0.176334545	 0.3056771422	 0.0775923447	-0.488382
+C	 1.3033528745	 0.0651015655	-0.0263644064	 0.48803
+O	 2.0011061945	 1.3158476522	-0.042965694	-0.318491
+C	 3.3664854305	 0.926267399	-0.1655996028	-0.157678
+C	 3.2208077049	-0.5935038802	-0.1885395184	 0.380891
+O	 4.3540853475	-1.3781139933	-0.3696674283	-0.482292
+C	 1.9639340599	-0.9165686169	-1.0508878462	-0.157748
+C	 1.6523454371	-2.0997056041	-0.1023260049	-0.271673
+C	 2.0904654891	-0.9604099462	 0.8479781602	-0.195465
+H	-0.4043036165	 0.8595870385	 0.9933357556	 0.128784
+H	-0.5210672849	 0.9036350779	-0.771503676	 0.129732
+H	-0.7361419059	-0.6322625739	 0.0914449276	 0.124311
+H	 3.8079737655	 1.321037516	-1.0892964044	 0.105167
+H	 3.9525010284	 1.2909295822	 0.6900490276	 0.088638
+H	 4.9388347949	-1.2511197776	 0.3852557843	 0.285885
+H	 1.901318569	-0.8786680076	-2.1394430519	 0.072582
+H	 0.6149726642	-2.4354629434	-0.0401484661	 0.091621
+H	 2.3384013513	-2.9442046257	-0.1713559607	 0.111136
+H	 2.1735433009	-0.9708578347	 1.9367428099	 0.06495
+19
+0 2419	2.8152439	1.8439857	1.3116498	1.6986	74.56	-0.25205	0.07603	0.32808	982.7813	0.157714	-422.536052	-422.528339	-422.527394	-422.567401	31.698
+O	 0.2759166884	 0.5537639193	 0.0266801264	-0.487571
+C	-0.5843294001	 1.0862488226	 0.9863544363	 0.455526
+C	-1.0637191822	 0.1607935519	 2.1110227155	-0.307684
+C	-1.894873567	 1.1717783578	 2.9377795389	-0.307685
+C	-1.6877602232	 2.4285654336	 2.0841107524	 0.455535
+O	-2.3488060218	 3.5942638721	 2.4697355406	-0.487571
+C	-1.7555002716	 2.0579039534	 0.5784195572	-0.170336
+C	-0.6980584686	 3.1497985077	 0.2730055963	-0.257786
+C	-0.1978689408	 2.4700567902	 1.573566511	-0.170337
+H	-0.1700715848	-0.186117754	-0.399212721	 0.279674
+H	-1.6663460487	-0.6702916412	 1.7268059415	 0.090149
+H	-0.2209420053	-0.266373021	 2.662521774	 0.105165
+H	-2.954495191	 0.9096521122	 3.0111716861	 0.105164
+H	-1.5124776288	 1.3028044438	 3.9566458732	 0.090148
+H	-2.0646006259	 3.819737287	 3.3619820663	 0.279675
+H	-2.6581379422	 1.8051820092	 0.0172271362	 0.061374
+H	-0.0848950679	 2.99276834	-0.6147451214	 0.102588
+H	-1.0359011054	 4.1821295245	 0.3672987742	 0.102596
+H	 0.695623907	 2.6937041708	 2.1611145462	 0.061374
+19
+0 2420	3.1707301	1.5454146	1.3490948	1.7793	74.32	-0.23578	0.06442	0.3002	1015.3354	0.156699	-422.534952	-422.526968	-422.526024	-422.566656	32.017
+C	-0.0578484509	-0.0026620653	-0.0960584016	-0.477022
+C	 1.4478540504	 0.0028582078	-0.0315811096	 0.40799
+C	 2.152555277	-0.1622530482	 1.3645101353	-0.285331
+C	 3.1451037763	 0.9132751267	 0.9293349049	-0.146695
+C	 2.2612202362	 1.3058488391	-0.2552929375	-0.176375
+C	 3.5896310157	 0.6743458406	-0.5077758722	 0.377244
+O	 4.6135491962	 1.4675299737	-1.0160207237	-0.474192
+C	 3.356023584	-0.7079653354	-1.1179431046	-0.158988
+O	 1.9603336339	-0.9583081373	-0.9614312448	-0.297804
+H	-0.4773997636	 0.7345593328	 0.5937756816	 0.117875
+H	-0.3964627065	 0.2320643248	-1.1097250079	 0.126999
+H	-0.4445622709	-0.9905434344	 0.1732161445	 0.127496
+H	 1.5140757471	 0.1880687749	 2.1807929792	 0.101673
+H	 2.5234328428	-1.1656749985	 1.5991760304	 0.093791
+H	 3.7233317706	 1.5709870483	 1.5685288343	 0.084451
+H	 1.9435220506	 2.2682928926	-0.6326564056	 0.094462
+H	 5.4357989623	 1.2100007553	-0.5857507853	 0.287338
+H	 3.6090002521	-0.6938932154	-2.1845960078	 0.10939
+H	 3.9458539866	-1.4993813521	-0.6321198495	 0.087698
+19
+0 2421	3.2237987	1.5350483	1.3305327	0.5389	73.86	-0.2153	0.07018	0.28548	1020.5967	0.156642	-422.534537	-422.526538	-422.525594	-422.56626	32.117
+C	 0.0807093017	 0.454338744	-0.3148586924	-0.47758
+C	 1.5420868816	 0.1151294039	-0.1776419363	 0.412303
+C	 2.2052650776	-0.6800048728	-1.3081483105	-0.231644
+C	 3.7026608461	-0.7186446865	-0.9003827422	-0.294758
+C	 3.8224975902	 0.3691480926	 0.1699696779	 0.358486
+O	 5.0291564549	 1.0391133323	 0.3587285679	-0.475134
+C	 2.8784632596	 0.2653450492	 1.3583249299	 0.023077
+O	 1.8102256603	-0.6326726622	 1.075942491	-0.34197
+C	 2.5641095502	 1.2042012317	 0.2331552508	-0.242547
+H	-0.2698234255	 1.0149577129	 0.5554856738	 0.128363
+H	-0.0912126732	 1.0566117355	-1.2132412954	 0.118278
+H	-0.5138709174	-0.4614803646	-0.3956635193	 0.127535
+H	 1.7610594349	-1.6749243115	-1.4033045389	 0.104944
+H	 2.0684002113	-0.1538777117	-2.2598440106	 0.099043
+H	 3.9904356999	-1.7019074239	-0.51424922	 0.102147
+H	 4.3663460682	-0.4798292739	-1.736065473	 0.10565
+H	 5.6232671951	 0.4546098887	 0.8423908404	 0.285608
+H	 3.169310823	 0.4335036063	 2.3897577976	 0.099485
+H	 2.4909468712	 2.2808976899	 0.1672517791	 0.098712
+19
+0 2422	3.3621197	1.5539725	1.3569441	2.156	74.58	-0.21116	0.0812	0.29235999999999995	1020.5708	0.155975	-422.523709	-422.51564	-422.514696	-422.555584	31.784
+C	 5.223856356	-0.4485436915	-0.6350282288	-0.482252
+C	 3.8058138535	-0.2123510267	-0.2100012184	 0.441864
+O	 3.6017980739	 1.0373666724	 0.421379424	-0.304297
+C	 2.2260194289	 1.3902444239	 0.2602088904	-0.099827
+C	 1.5418931491	 0.087554665	-0.145383044	 0.38354
+C	 0.0924616644	 0.1313675172	-0.5467896309	-0.489794
+O	 1.7938331449	-0.8463258826	 0.9676118983	-0.334583
+C	 2.9205971299	-1.3567844499	 0.2623138177	 0.018462
+C	 2.6081949465	-0.6227399398	-1.021130631	-0.301878
+H	 5.8974106352	-0.3609651227	 0.2230690659	 0.135792
+H	 5.3379876858	-1.4509140478	-1.0584022965	 0.120806
+H	 5.5330987969	 0.2827723534	-1.3885712953	 0.127129
+H	 1.841119946	 1.7662082445	 1.2133250073	 0.114451
+H	 2.1135092229	 2.1686816201	-0.5109306609	 0.08729
+H	-0.5191556857	 0.513712835	 0.276823083	 0.132684
+H	-0.0491441911	 0.7840709372	-1.4145074362	 0.122676
+H	-0.2634317113	-0.8703163134	-0.7997863746	 0.134453
+H	 3.2428559877	-2.3715827553	 0.4714560254	 0.099977
+H	 2.5493745565	-0.906252719	-2.0642584656	 0.093507
+19
+0 2423	3.2170061	1.5439057	1.3476783	2.2176	74.46	-0.22598	0.06783	0.29381	1015.1166	0.156822	-422.536683	-422.528748	-422.527804	-422.568339	31.889
+C	 0.0565541208	-0.0201734751	-0.2401410327	-0.477015
+C	 1.5411852043	-0.1175159557	-0.0388702644	 0.475606
+O	 2.1527240969	-1.061472461	-0.9105333169	-0.309258
+C	 3.4814365515	-0.6131698637	-1.1691975115	-0.10586
+C	 3.7958335324	 0.3227490603	-0.0034563554	 0.368725
+O	 4.9760833426	 1.0273384431	-0.2295264822	-0.487626
+C	 3.5908795297	-0.4349311785	 1.3485213093	-0.299753
+C	 2.1370312418	 0.0413204491	 1.3493916911	-0.131415
+C	 2.4271476372	 1.0501122951	 0.2282725539	-0.257188
+H	-0.383656968	 0.6932835457	 0.4621268647	 0.118725
+H	-0.1755425247	 0.3045880817	-1.2589673789	 0.126173
+H	-0.4147360865	-0.9951022271	-0.0789410597	 0.130914
+H	 4.1473112983	-1.4810079719	-1.2071224548	 0.108601
+H	 3.5409924523	-0.0709284346	-2.124770981	 0.096042
+H	 5.1709427114	 1.554803747	 0.5516975122	 0.28144
+H	 3.7889651781	-1.5121601948	 1.3599275774	 0.102343
+H	 4.1647969808	 0.0478734556	 2.1469765722	 0.090663
+H	 1.5092622957	 0.1654126194	 2.2251772919	 0.08174
+H	 2.1947767456	 2.1007123455	 0.1044959748	 0.087144
+19
+0 2424	3.1233807	1.5129676	1.3092201	2.2531	73.94	-0.22611	0.06767	0.29378	1019.1117	0.156976	-422.54352	-422.535401	-422.534457	-422.575505	32.499
+O	-3.083971955	 2.8958323544	 3.2340519073	-0.488724
+C	-2.4436024789	 2.0863205822	 2.2948780089	 0.464896
+C	-2.7235190732	 2.4814766794	 0.8489509067	-0.283186
+C	-1.4706889471	 1.9977268588	 0.0793231202	-0.231025
+C	-0.7932194101	 1.0124142809	 1.0388035232	 0.408955
+O	 0.4936816631	 0.7014467642	 0.5921550343	-0.491242
+C	-1.7603448565	-0.1661441019	 1.3997796251	-0.298019
+C	-2.1999261657	 0.6268447636	 2.629712119	-0.152097
+C	-1.0284368587	 1.6037031161	 2.471067837	-0.254391
+H	-3.0370792391	 2.4724491361	 4.0971356856	 0.282037
+H	-3.6494322037	 2.0300330128	 0.4777250256	 0.101694
+H	-2.8467337164	 3.5661409832	 0.791372077	 0.113369
+H	-1.7036806349	 1.5290471516	-0.8811053093	 0.100148
+H	-0.7808467387	 2.8263652208	-0.1091209591	 0.107575
+H	 0.8740963167	 0.0499875665	 1.1903457389	 0.276881
+H	-2.510510516	-0.4570541598	 0.6552196868	 0.093708
+H	-1.1885605001	-1.0539996673	 1.6927066518	 0.089915
+H	-2.6085876972	 0.2030516798	 3.5428069578	 0.074374
+H	-0.2999944685	 1.9793692888	 3.1783325332	 0.085133
+19
+0 2425	2.5292403	1.9974852	1.6238741	1.762	73.17	-0.23505	0.08431	0.31936	923.0489	0.158639	-422.554171	-422.546839	-422.545895	-422.585504	29.418
+C	-0.0567573606	-0.4297367667	 0.0275300112	-0.465201
+C	 1.3898881537	 0.0305339487	 0.0369283295	 0.359624
+C	 2.1137145414	-0.0883329516	-1.3195316936	-0.102834
+O	 3.5115998102	-0.0543119522	-1.0141631785	-0.26548
+C	 3.6741902335	-0.5707738764	 0.2857395851	 0.086556
+C	 3.3080062367	 0.3342072822	 1.4432168949	-0.112872
+C	 2.6875610045	 1.6761157118	 1.0835495502	-0.102163
+O	 1.4277563766	 1.395252683	 0.4743050681	-0.299153
+C	 2.3527476079	-0.736376069	 0.9669431688	-0.16654
+H	-0.4907343108	-0.3275270462	 1.0253860827	 0.128517
+H	-0.6470979779	 0.1814269726	-0.661506202	 0.12922
+H	-0.1327757973	-1.4748145467	-0.2861139461	 0.117911
+H	 1.8585785277	-1.0348095311	-1.8203988701	 0.086537
+H	 1.882565907	 0.749069418	-1.9822963448	 0.115604
+H	 4.4909723998	-1.2782419637	 0.3806655118	 0.097227
+H	 3.8475461161	 0.230643969	 2.3778072549	 0.092634
+H	 2.5087677355	 2.2876282569	 1.9748457022	 0.102226
+H	 3.3265016914	 2.2418513176	 0.3926488042	 0.107758
+H	 2.0371398447	-1.5966800862	 1.5426917816	 0.09043
+19
+0 2426	2.4943032	1.9902571	1.5927564	2.6178	72.94	-0.22204	0.08176	0.30379999999999996	930.2617	0.158691	-422.542797	-422.535473	-422.534529	-422.574181	29.288
+C	 1.2611752475	 1.8866070715	-1.0250326541	-0.484362
+C	 1.8905389534	 0.667472987	-0.3600314069	 0.236871
+C	 1.3240198959	-0.6740425661	-0.876381242	-0.097382
+O	 2.3193738584	-1.6644044493	-0.6238412723	-0.255064
+C	 3.5656643461	-1.0236556092	-0.5777423105	 0.059998
+C	 3.8774843697	-0.1906328898	 0.6543853768	 0.05999
+O	 2.8956117536	-0.1249589192	 1.6531591583	-0.255064
+C	 1.8453659252	 0.7186904235	 1.183519178	-0.097386
+C	 3.4072312225	 0.4738934983	-0.6130030827	-0.211952
+H	 1.7302883265	 2.8119938809	-0.6766312336	 0.123881
+H	 1.3667669444	 1.8406146745	-2.1133919706	 0.123883
+H	 0.1910724385	 1.9525809248	-0.798885247	 0.122098
+H	 0.4044372106	-0.9800330883	-0.367467391	 0.10779
+H	 1.1212098165	-0.609336756	-1.9571376237	 0.087331
+H	 4.3599245606	-1.5505051708	-1.0968101986	 0.09733
+H	 4.8960970271	-0.1181145357	 1.0218366271	 0.09733
+H	 0.9027056539	 0.3511760123	 1.6013471633	 0.10779
+H	 2.0047924231	 1.7508407642	 1.5336664478	 0.08733
+H	 3.9807226067	 1.1610945174	-1.2227446681	 0.089588
+19
+0 2427	2.5123235	2.042116	1.6237154	2.521	73.11	-0.24505	0.07881	0.32386	922.2601	0.158744	-422.567902	-422.560541	-422.559597	-422.599458	29.339
+C	 0.0382989211	 0.1809662518	-0.0623193167	-0.449489
+C	 1.5043968243	-0.1177165833	 0.1664737237	 0.458484
+O	 2.1459754598	 1.0758643313	 0.6005320186	-0.282406
+C	 3.5394611951	 1.0092248538	 0.3048486701	-0.106409
+C	 3.7045794165	-0.0831003403	-0.7430463111	-0.086231
+C	 3.3548627421	-1.515100251	-0.3747161684	-0.086182
+C	 2.8503721613	-1.8128131131	 1.0307089187	-0.1064
+O	 1.6091940771	-1.1239574714	 1.167128692	-0.282503
+C	 2.3349026631	-0.6276209454	-1.0266187227	-0.133906
+H	-0.4112763566	 0.5280149432	 0.8707248033	 0.138664
+H	-0.0741050399	 0.9619530111	-0.8174905115	 0.12326
+H	-0.4839098994	-0.7210339977	-0.3887875979	 0.123198
+H	 3.8563731518	 1.9829419167	-0.0854542953	 0.105365
+H	 4.1140928453	 0.8091347606	 1.2204101423	 0.100733
+H	 4.4257367627	 0.068016275	-1.5379069352	 0.092971
+H	 3.845353039	-2.3085336885	-0.9266191964	 0.092966
+H	 2.6669671997	-2.884687095	 1.1662726308	 0.105345
+H	 3.5535000524	-1.4891584672	 1.8113169053	 0.100731
+H	 1.9000502447	-0.7734055605	-2.0063388095	 0.091808
+19
+0 2428	2.4667385	1.9630886	1.5817441	2.2301	72.69	-0.23327	0.0703	0.30357	928.0685	0.159223	-422.5602	-422.552971	-422.552027	-422.591346	29.698
+O	 0.3798299979	 0.2013519351	 0.9004375743	-0.494089
+C	-0.9099078303	 0.7236193844	 1.1243594145	 0.368642
+C	-1.1266335435	 2.1520811184	 0.5761082605	-0.254261
+C	-2.3650350687	 2.6996352703	 1.3203918217	-0.240642
+C	-2.4106034812	 1.9167416225	 2.6363609919	-0.087442
+C	-2.8058198221	 0.4567850622	 2.5478383632	 0.097703
+O	-3.1487719798	-0.0468290275	 1.2765428047	-0.263696
+C	-1.9368305643	-0.2768501672	 0.5592235488	-0.095165
+C	-1.3602840535	 0.8205525897	 2.6089459949	-0.186686
+H	 1.0222079865	 0.8805689624	 1.1300766005	 0.277562
+H	-0.2462314868	 2.7526382575	 0.8431105251	 0.083873
+H	-1.220351546	 2.1724165768	-0.5136534567	 0.101832
+H	-2.2803585667	 3.7731974179	 1.5053467617	 0.098807
+H	-3.2790154956	 2.5358694369	 0.7412309112	 0.118082
+H	-2.642050333	 2.4390808635	 3.5586244676	 0.083743
+H	-3.3415335457	-0.0141649458	 3.3652732546	 0.094885
+H	-1.5658397486	-1.2982536224	 0.7265385585	 0.102858
+H	-2.1399075793	-0.1398033731	-0.5064054508	 0.10701
+H	-0.6824312594	 0.5603869284	 3.4123301137	 0.086984
+19
+0 2429	2.5031517	2.1408781	1.5931179	1.0549	73.12	-0.23017	0.08713	0.3173	911.8185	0.159046	-422.548971	-422.542022	-422.541078	-422.579769	28.805
+C	-0.086794787	-0.3600918947	 0.0282124262	-0.488325
+C	 1.3480991167	 0.102517657	-0.0109191623	 0.411228
+C	 1.8864087811	 0.7078324835	-1.3456381154	-0.270185
+C	 3.2919123813	 0.0893202509	-1.2422371626	 0.056066
+O	 2.9483626521	-1.3287350851	-1.1309354906	-0.30234
+C	 2.4887968029	-0.9582111508	 0.1892096137	 0.041267
+C	 3.5881337241	 0.1158227479	 0.296182612	-0.06734
+C	 2.9974667432	 1.2612456651	 1.1061091815	-0.119591
+O	 1.5775325435	 1.0466582744	 1.0430263103	-0.308611
+H	-0.3338809424	-0.7570101873	 1.0175161903	 0.123327
+H	-0.7713699559	 0.4657831021	-0.1877797459	 0.12569
+H	-0.2458375086	-1.1452054552	-0.7166872577	 0.127167
+H	 1.3761783	 0.3342529986	-2.2359634364	 0.108609
+H	 1.8472438913	 1.7997508907	-1.3300568525	 0.106446
+H	 4.0415887022	 0.3073310319	-2.0025851086	 0.080538
+H	 2.3315053343	-1.7853572291	 0.8804300976	 0.081721
+H	 4.5838990777	-0.2317386052	 0.5644013539	 0.087549
+H	 3.3080661428	 1.2314100014	 2.1565075604	 0.108915
+H	 3.2585567307	 2.2505255238	 0.703804986	 0.097867
+19
+0 2430	2.4409686	2.1615649	1.5809714	1.2685	72.82	-0.24339	0.07695	0.32034	914.993	0.159167	-422.547703	-422.540731	-422.539787	-422.578553	28.74
+C	 0.32967279	-0.7808938181	-0.3391102085	-0.502027
+C	 1.5537583199	 0.0353225805	 0.0253177974	 0.267715
+C	 1.4504742739	 0.8837528561	 1.2994456009	-0.112601
+O	 2.6355279092	 1.7057199153	 1.2794214208	-0.278092
+C	 3.1105534326	 1.6700387291	-0.0424066997	 0.103688
+C	 3.7770143917	 0.3432049901	-0.5608466861	 0.032677
+C	 2.9156852275	-0.7316977641	 0.1199647465	-0.256949
+O	 3.0621176874	 0.5293260551	-1.8213277655	-0.300809
+C	 2.0390385919	 1.1290923123	-0.9992404529	 0.015247
+H	 0.1274981353	-1.5579206387	 0.4065453181	 0.118737
+H	-0.563554209	-0.1499304652	-0.4124040326	 0.115057
+H	 0.4736865589	-1.2759659528	-1.3046989998	 0.130913
+H	 0.5546233623	 1.5239226971	 1.3026423755	 0.092012
+H	 1.4497079378	 0.2852854374	 2.2164047307	 0.109012
+H	 3.6300056107	 2.5895538412	-0.306845207	 0.094734
+H	 4.8499696812	 0.1926815825	-0.6771317109	 0.078797
+H	 2.9253828457	-1.6550578653	-0.4638574617	 0.106517
+H	 3.2094499632	-0.9485823389	 1.1502158943	 0.104891
+H	 1.2977738399	 1.7186358265	-1.5385003595	 0.080482
+19
+0 2431	2.4582811	2.2416875	1.6129066	1.8963	73.54	-0.22522	0.08477	0.30999	904.8975	0.158929	-422.550609	-422.54364	-422.542696	-422.581422	28.844
+C	 0.1631055706	-0.5668356499	 0.1280338499	-0.485527
+C	 1.5014226593	 0.1022814825	-0.0690036252	 0.370164
+C	 1.7864792507	 1.360088154	 0.7595506453	-0.091805
+O	 3.0474712851	 1.8218282539	 0.2491286337	-0.278933
+C	 3.2905948411	 1.0786815281	-0.9191211497	 0.128069
+C	 3.5550005324	-0.4587094777	-0.7337189359	 0.052481
+C	 2.7571192175	-0.6810146841	-2.0381341036	-0.262365
+C	 1.9580847067	 0.5282663122	-1.4978942958	-0.143897
+O	 2.5952208776	-0.7995991913	 0.2773985269	-0.316021
+H	 0.0594324242	-0.9154805261	 1.1602884092	 0.131265
+H	-0.6548219068	 0.1290503269	-0.083986464	 0.11874
+H	 0.0634905814	-1.4331836184	-0.5314905332	 0.12741
+H	 1.0205126736	 2.1403771866	 0.6344267623	 0.085586
+H	 1.8864935754	 1.1179637529	 1.8219732881	 0.112034
+H	 3.9690897334	 1.6114413751	-1.5840251694	 0.088129
+H	 4.520918735	-0.9082029515	-0.5096545052	 0.080974
+H	 3.3136086554	-0.4350405411	-2.9455063413	 0.103218
+H	 2.2530292069	-1.6437187686	-2.1385752348	 0.106785
+H	 1.2664823904	 1.1252517067	-2.0906866072	 0.073692
+19
+0 2432	2.5386482	2.2191938	1.6281851	2.2476	73.53	-0.23897	0.09459	0.33355999999999997	900.5293	0.159009	-422.560886	-422.553947	-422.553002	-422.591678	28.78
+C	 0.044132631	-0.2381645187	-0.2522324914	-0.474629
+C	 1.4987391058	 0.0831742244	-0.0383994467	 0.516515
+O	 2.2501392316	-0.2942671345	-1.1735709232	-0.288307
+C	 3.6017960646	 0.1057032073	-0.8916291518	-0.112655
+C	 3.4571260677	 1.0518664697	 0.298495569	-0.075093
+C	 2.9518941653	 0.3676949057	 1.6133552986	 0.085192
+C	 2.0302991452	 1.5852764852	 1.8392129531	-0.248348
+C	 1.9688839614	 1.5280573167	 0.2946421784	-0.128176
+O	 2.0334787777	-0.6206480987	 1.1085975051	-0.315897
+H	-0.5498713182	 0.1092495534	 0.5961159349	 0.124201
+H	-0.3170021667	 0.2396320206	-1.1661994512	 0.127386
+H	-0.0830014314	-1.3193986324	-0.3482741588	 0.139457
+H	 4.215178552	-0.7730830231	-0.6567402146	 0.106887
+H	 4.0165499494	 0.5962706729	-1.779043114	 0.104028
+H	 4.2232397021	 1.8149584886	 0.426577803	 0.0817
+H	 3.6013920101	-0.0706628696	 2.3699270101	 0.079539
+H	 1.1168210862	 1.4091800952	 2.4120491978	 0.102098
+H	 2.5536616582	 2.4733911112	 2.201677193	 0.100688
+H	 1.590991948	 2.327599646	-0.3404468613	 0.075415
+19
+0 2433	2.3943673	2.1685955	1.5661737	2.9243	72.62	-0.23542	0.07134	0.30676	914.1718	0.159467	-422.555991	-422.549009	-422.548065	-422.58679	29.198
+O	 0.3107712137	 0.6242534935	 0.1464554548	-0.504955
+C	-1.0251599585	 0.951701255	 0.4254863298	 0.417008
+C	-1.2557790686	 1.8669189589	 1.6410308627	-0.273078
+C	-2.7458646932	 2.2902418122	 1.4793911722	-0.258846
+C	-3.0458873273	 1.9420067786	 0.0157170734	-0.027706
+C	-3.1221435507	 0.4321004579	-0.3907785736	 0.066948
+C	-2.0457861578	-0.232315974	 0.4892676811	-0.290902
+O	-2.3459288484	 0.7344284571	-1.5887251382	-0.297509
+C	-1.7181339261	 1.7255728751	-0.7434963834	 0.045331
+H	 0.6576019697	 0.1086453021	 0.8818391405	 0.276418
+H	-1.0492513002	 1.3605352427	 2.5899957795	 0.089981
+H	-0.5888507087	 2.7340659005	 1.577332274	 0.104673
+H	-3.4073594068	 1.756443094	 2.1696395117	 0.1037
+H	-2.8843822953	 3.3576183624	 1.671216748	 0.106374
+H	-3.7841107078	 2.5518797594	-0.503023224	 0.080692
+H	-4.0569840629	-0.094361095	-0.5865672694	 0.076881
+H	-2.3696952267	-0.4782527176	 1.5049504384	 0.088832
+H	-1.6547985025	-1.1252546769	-0.0026615774	 0.112583
+H	-1.1414060317	 2.4865225541	-1.2682893703	 0.083576
+19
+0 2434	2.4372733	2.1552627	1.5942279	1.2153	73.12	-0.23707	0.06694	0.30401	905.7055	0.159856	-422.55832	-422.551448	-422.550504	-422.588992	28.871
+O	 0.0409950251	 0.1990613469	 0.2345580641	-0.503667
+C	-0.7352106676	 1.2814239176	 0.674835428	 0.380835
+C	-1.0318020737	 1.3294755265	 2.1853242262	-0.128979
+O	-2.0371363657	 2.3459071951	 2.2865189229	-0.281172
+C	-2.5479585268	 2.5194861253	 0.974564477	 0.14445
+C	-1.6568641899	 3.2993763252	-0.0659608623	-0.066834
+C	-2.165203434	 2.2709606706	-1.1140534065	-0.257538
+C	-2.1749550339	 1.3070257281	 0.090823365	-0.092554
+C	-0.269343161	 2.7173771858	 0.2668006331	-0.278264
+H	 0.9417990624	 0.3228021962	 0.5519593147	 0.27889
+H	-1.4107688628	 0.3642060205	 2.5522131512	 0.094931
+H	-0.1618286996	 1.6201047569	 2.7865009737	 0.093688
+H	-3.5929759212	 2.826398304	 1.0152861394	 0.083663
+H	-1.7381563681	 4.3752308632	-0.2210636853	 0.062823
+H	-3.1741103963	 2.4855356997	-1.4751993783	 0.099882
+H	-1.507711326	 2.0405599712	-1.9556713511	 0.103219
+H	-2.7183457582	 0.3629829691	 0.1100890681	 0.07233
+H	 0.3849569268	 2.6917764841	-0.6098769978	 0.097409
+H	 0.2429771703	 3.238362974	 1.0806270879	 0.096885
+19
+0 2435	2.6334874	2.0012963	1.4982175	1.5955	73.54	-0.21958	0.07494	0.29452	934.8124	0.158884	-422.54163	-422.534457	-422.533512	-422.572716	29.036
+C	 0.0058885013	-0.2899447022	-0.2209170877	-0.513894
+C	 1.4939923438	-0.0819888885	-0.0855504684	 0.273543
+C	 2.3285443479	-1.1536584107	 0.6108406174	-0.131438
+O	 3.6557939746	-0.5997982975	 0.5051869508	-0.283603
+C	 3.4101220705	 0.6172266982	-0.179343942	 0.098196
+C	 2.1371464767	 1.2570645975	 0.4602946021	-0.138485
+C	 1.7221760221	 2.2972800351	-0.5695235077	-0.109441
+O	 1.9094009924	 1.550081747	-1.7947246833	-0.282409
+C	 2.3952613084	 0.305656092	-1.3125161983	 0.054722
+H	-0.4917443568	-0.2766728018	 0.7553176866	 0.11946
+H	-0.4428968256	 0.488223702	-0.8447152008	 0.13625
+H	-0.2124493535	-1.2555305352	-0.6910434538	 0.121455
+H	 2.0622485972	-1.2970388837	 1.6662438951	 0.100559
+H	 2.2834947924	-2.1268077541	 0.1047396963	 0.101038
+H	 4.335598933	 1.1669595976	-0.3441906692	 0.086957
+H	 2.1031273112	 1.5204639407	 1.5177538749	 0.074
+H	 0.6775266055	 2.6191253715	-0.4825264948	 0.104503
+H	 2.3628037956	 3.1876996449	-0.571390966	 0.105093
+H	 2.6079633335	-0.373515163	-2.1376052613	 0.083492
+19
+0 2436	2.6753302	2.0036787	1.5128069	1.2947	73.88	-0.21752	0.0931	0.31062	931.318	0.158727	-422.545081	-422.537907	-422.536962	-422.57616	29.097
+C	 0.0006936975	 0.0643839534	-0.0031817141	-0.503004
+C	 1.5007321175	 0.0424696951	 0.0458655135	 0.456313
+O	 2.0556508138	-0.535707403	-1.1340076893	-0.323667
+C	 3.4737550794	-0.4842578704	-0.8783752082	-0.105085
+C	 3.4899171088	 0.1637339396	 0.4972092717	-0.102463
+C	 2.4024520253	 1.2893311199	 0.3819722398	-0.133929
+C	 2.0620833968	 1.5902788078	 1.8340566342	-0.107255
+O	 1.9990580671	 0.2501146625	 2.3765645646	-0.283142
+C	 2.3160668758	-0.5444847324	 1.2425001272	 0.064505
+H	-0.407145527	 0.3953942436	 0.95524445	 0.133968
+H	-0.3573846574	 0.7336500127	-0.7917000325	 0.125689
+H	-0.3818068818	-0.9393724701	-0.2116750602	 0.13147
+H	 3.8955097839	-1.4970892202	-0.8890398113	 0.102861
+H	 3.974889494	 0.1115497835	-1.6514862298	 0.102424
+H	 4.4477522142	 0.3396480301	 0.9862261311	 0.07597
+H	 2.5039674018	 2.1190587551	-0.3180150853	 0.07407
+H	 2.8332960223	 2.1693569694	 2.3570490187	 0.103413
+H	 1.0971626182	 2.0945830996	 1.9645206324	 0.103796
+H	 2.3177474898	-1.6032999963	 1.4998437474	 0.084067
+19
+0 2437	2.7035416	1.9848032	1.5110052	1.3293	73.29	-0.2312	0.07799	0.30918999999999996	926.945	0.159968	-422.560686	-422.553761	-422.552817	-422.591446	28.878
+O	 0.1611571143	 0.1787302013	 0.168456147	-0.502438
+C	-0.830709832	 0.6904977693	 0.9902977989	 0.450359
+C	-1.022868122	 2.1998306499	 0.9554888032	-0.277138
+C	-2.1551707919	 2.3242552178	 2.0206086162	-0.241746
+C	-2.3391006901	 0.8453238177	 2.3898441546	-0.04794
+C	-2.2942441258	 0.077136206	 1.0307298846	-0.132199
+C	-2.0239435738	-1.3610174809	 1.4477788146	-0.121625
+O	-0.9976824584	-1.1557649259	 2.4515526782	-0.299351
+C	-0.9017899105	 0.2721439261	 2.4876406862	 0.041697
+H	 0.407835545	-0.6819903694	 0.5311613531	 0.290697
+H	-0.1067618914	 2.7281241448	 1.2348456967	 0.104589
+H	-1.3215301675	 2.5516890632	-0.0358697524	 0.106517
+H	-1.8558026554	 2.9300524023	 2.8809724673	 0.102238
+H	-3.0713001088	 2.7603560873	 1.6126495588	 0.103426
+H	-3.0802183335	 0.5852940011	 3.1454522797	 0.069997
+H	-3.0182620296	 0.26294268	 0.2369258465	 0.069719
+H	-2.8876319861	-1.8669440454	 1.8944795137	 0.104588
+H	-1.6320326392	-1.9837004186	 0.6339827961	 0.099739
+H	-0.1716869531	 0.5785498535	 3.2371532671	 0.078873
+19
+0 2438	2.6433465	1.9603	1.5072066	2.3325	73.27	-0.23153	0.04993	0.28146000000000004	932.8589	0.159488	-422.557343	-422.550169	-422.549225	-422.588387	29.326
+O	 0.0887441061	-0.0593693745	 0.6684964107	-0.487861
+C	-0.1580175773	 1.203297262	 1.188070733	 0.367729
+C	-1.3780312251	 1.8926743497	 0.5836692871	-0.120497
+O	-1.3562440748	 3.1333098212	 1.310463753	-0.283319
+C	-0.2130710767	 2.9600239164	 2.1468802507	 0.114815
+C	 0.9065601423	 2.3614454816	 1.2497034345	-0.096117
+C	 1.9843342829	 1.8600224703	 2.211135887	-0.256828
+C	 1.0780954763	 1.2271346793	 3.3185642907	-0.256801
+C	-0.299752571	 1.519079404	 2.7238808124	-0.096088
+H	 0.8691686114	-0.4272076728	 1.0956681178	 0.287566
+H	-1.2774365694	 2.0717183553	-0.4932005204	 0.104596
+H	-2.3117122522	 1.3494582644	 0.7706972822	 0.104604
+H	-0.0596330407	 3.8374497781	 2.7737797683	 0.082484
+H	 1.2140179743	 2.8803674889	 0.3405982284	 0.067979
+H	 2.6543256098	 1.131034097	 1.7412712154	 0.09386
+H	 2.6132457124	 2.6689768194	 2.5934916135	 0.106015
+H	 1.2548176595	 0.1536998376	 3.4511940656	 0.09388
+H	 1.219611361	 1.6955145464	 4.2966835166	 0.106006
+H	-1.1870585089	 1.2037087955	 3.2747974735	 0.067979
+19
+0 2439	2.2614604	1.8845594	1.5614464	1.9474	74.45	-0.23356	0.06351	0.29707	973.3904	0.157219	-422.531571	-422.523485	-422.522541	-422.563518	31.74
+C	-0.1023119852	 0.0954875631	-0.2500255143	-0.526004
+C	 1.3472880001	 0.0894251521	 0.1208239542	 0.29576
+C	 2.1659930524	-0.7487705075	 1.1127868198	-0.197502
+C	 2.8596937655	 0.4993080043	 1.6550455432	-0.257062
+C	 2.3145929313	 1.2682440531	 0.4064021615	 0.024383
+O	 3.2657238922	 1.3051074388	-0.6526132329	-0.263603
+C	 3.5198223064	-0.0516746176	-1.0276807136	-0.151072
+C	 2.3874944215	-0.8591818254	-0.3926750658	 0.320852
+O	 1.9476966931	-2.0149186047	-1.0318974965	-0.47575
+H	-0.7291570575	 0.5008751932	 0.5517096423	 0.115812
+H	-0.2740951206	 0.7004469164	-1.1479377129	 0.126273
+H	-0.4388268916	-0.9229275863	-0.4660116004	 0.135662
+H	 1.8418044063	-1.6180590896	 1.6755398178	 0.08141
+H	 2.3898460372	 0.8479169559	 2.579321608	 0.103075
+H	 3.9476562572	 0.4956115677	 1.7807726065	 0.095231
+H	 1.9246729355	 2.274796115	 0.5529922909	 0.084548
+H	 3.4829037811	-0.1429478696	-2.1193322317	 0.110425
+H	 4.5184935519	-0.3611324217	-0.6866155576	 0.08893
+H	 2.4880131532	-2.7529844771	-0.7314098985	 0.288634
+19
+0 2440	2.2570024	1.8849091	1.5393873	0.7923	74.01	-0.21475	0.06886	0.28361000000000003	975.8807	0.157036	-422.530458	-422.522336	-422.521392	-422.562464	31.875
+C	-0.0447264813	-0.0196075296	-0.4174331725	-0.521556
+C	 1.3821458158	 0.0751050757	 0.021921017	 0.228447
+C	 2.1109300436	-0.2568040289	 1.293519875	-0.022651
+O	 2.8518120034	 0.9615524244	 1.3337760945	-0.314665
+C	 2.3638011004	 1.2717992589	-0.0187627454	 0.037951
+C	 3.4659070026	 0.9093942501	-1.010829955	-0.212432
+C	 3.6771958629	-0.6099841816	-0.7582962308	-0.285984
+C	 2.4250701164	-1.0284839214	 0.0165983096	 0.306541
+O	 1.9385093377	-2.3308003338	-0.081860076	-0.475779
+H	-0.6832115959	 0.6929372099	 0.1159607867	 0.120346
+H	-0.1445929365	 0.1777939636	-1.4914967083	 0.118985
+H	-0.4250051524	-1.0281627609	-0.2319733949	 0.13978
+H	 1.7930565461	-0.711247325	 2.2266533795	 0.098591
+H	 1.9657996659	 2.287323177	-0.0746074258	 0.079374
+H	 3.1196401767	 1.0983230647	-2.0338563018	 0.09969
+H	 4.3694083148	 1.5018503992	-0.8439002668	 0.108044
+H	 3.738435931	-1.1821835869	-1.688174255	 0.105434
+H	 4.5927394327	-0.7981944246	-0.1883888991	 0.103119
+H	 2.4716200064	-2.8962161608	 0.4875222891	 0.286764
+19
+0 2441	2.2712208	1.877097	1.5405336	0.9135	74.09	-0.21768	0.06754	0.28522000000000003	975.927	0.157168	-422.529704	-422.521667	-422.520723	-422.561588	31.76
+C	-0.0315323785	-0.0685594633	 0.0818734668	-0.490355
+C	 1.4723971963	-0.1444584609	 0.1688626171	 0.257947
+C	 2.2587649159	-1.1081911006	-0.7287439442	-0.280046
+C	 3.6685319629	-0.4640741984	-0.8532055119	-0.214522
+C	 3.6986755211	 0.5095281948	 0.3176040134	 0.019576
+O	 3.4789139594	-0.2524793377	 1.5532175726	-0.310297
+C	 2.1049637965	 0.1337261775	 1.5441268042	-0.039097
+C	 2.2695182406	 1.1112934774	 0.4187291795	 0.266899
+O	 1.8325025352	 2.3847302134	 0.134677316	-0.455632
+H	-0.4333329458	 0.676115552	 0.7760172098	 0.120548
+H	-0.3539428932	 0.2183400732	-0.9251246194	 0.123754
+H	-0.4896057665	-1.0350226385	 0.319533123	 0.117937
+H	 2.3155408881	-2.1057582854	-0.2826692173	 0.109028
+H	 1.771838941	-1.2143022573	-1.7031810643	 0.098021
+H	 4.4797323931	-1.1952107358	-0.7993898432	 0.106892
+H	 3.7723205711	 0.0913166908	-1.7930736156	 0.102243
+H	 4.5676615057	 1.1664523462	 0.4009558665	 0.074855
+H	 1.5584233443	 0.1279393677	 2.4807821434	 0.101784
+H	 2.1968094727	 2.9887347549	 0.7916615437	 0.290465
+19
+0 2442	2.2833113	1.8776784	1.5579443	2.1088	74.3	-0.22815	0.06963	0.29778	970.2252	0.157416	-422.531292	-422.523292	-422.522348	-422.563127	31.607
+C	-0.1005655242	-0.0233028577	-0.0751614793	-0.492299
+C	 1.3950634204	-0.1375810656	 0.08286708	 0.264392
+C	 2.1481381634	-1.2471786648	-0.6526774233	-0.149337
+O	 3.4663158231	-0.7355064848	-0.8906400507	-0.263259
+C	 3.6304403962	 0.372363838	-0.0207054301	 0.013023
+C	 3.4838894491	-0.0388026671	 1.48363852	-0.257136
+C	 2.0127222722	 0.3683026675	 1.4039962068	-0.205097
+C	 2.2500769561	 1.082927312	 0.0744241926	 0.33017
+O	 1.8376001103	 2.2882335978	-0.4481042944	-0.460107
+H	-0.4785776894	 0.8751045388	 0.4204540076	 0.126354
+H	-0.378858412	 0.0418937408	-1.1324591879	 0.125816
+H	-0.614741157	-0.8895665027	 0.3557370123	 0.117674
+H	 2.1994757854	-2.1800915706	-0.0732706766	 0.094454
+H	 1.6836135638	-1.4744637392	-1.6199070936	 0.103519
+H	 4.518270792	 0.9288236915	-0.3203299069	 0.082274
+H	 3.7304426652	-1.0811140692	 1.7087139617	 0.099763
+H	 4.0527722601	 0.6185552703	 2.1482840408	 0.096267
+H	 1.3667522115	 0.6426811287	 2.2306093639	 0.084626
+H	 2.2702567936	 2.9996861663	 0.0361110269	 0.288902
+19
+0 2443	2.2368574	1.94677	1.5801761	2.3641	74.61	-0.22021	0.07176	0.29197	963.3408	0.157203	-422.532922	-422.524935	-422.523991	-422.564722	31.677
+C	 0.0334620362	-0.1114046224	-0.1253701344	-0.47662
+C	 1.526890079	-0.1192032287	 0.0188741913	 0.41681
+O	 2.1661673755	-1.1626381781	-0.7019118881	-0.310621
+C	 3.446546766	-0.6658728164	-1.1146140493	-0.089435
+C	 3.7446571845	 0.458485482	-0.1251917247	-0.143345
+C	 3.6390860222	-0.0793231314	 1.3405935045	-0.234855
+C	 2.1623546609	 0.3097271048	 1.3533815115	-0.214852
+C	 2.340114112	 1.1162143399	 0.0548921504	 0.298564
+O	 1.8988136331	 2.3470959697	-0.3769411528	-0.463311
+H	-0.4010488561	 0.7208830676	 0.4340071952	 0.124509
+H	-0.2488621084	-0.0030032041	-1.1767250365	 0.128994
+H	-0.3952049702	-1.0457339618	 0.2500785815	 0.125989
+H	 4.1631136541	-1.4927061192	-1.0711257781	 0.104417
+H	 3.399964854	-0.2893260664	-2.148588475	 0.093373
+H	 4.5975242591	 1.0904695344	-0.3720811293	 0.072392
+H	 3.8775429397	-1.1390120151	 1.4783857366	 0.101917
+H	 4.2277694516	 0.5177032014	 2.0420351021	 0.096814
+H	 1.54703736	 0.5101061487	 2.224166768	 0.082377
+H	 2.3375276468	 3.0303622452	 0.142404547	 0.286884
+19
+0 2444	2.2162632	1.9670661	1.5537507	2.3238	74.52	-0.21075	0.07393	0.28468	976.2073	0.15633	-422.519047	-422.51088	-422.509936	-422.551172	31.556
+C	 0.8028860458	 2.025158654	-1.8495714906	-0.484548
+C	 0.8976018935	 1.9155508731	-0.3571978991	 0.390893
+O	 0.042491871	 2.8106915729	 0.3302700806	-0.305866
+C	-0.2126578346	 2.2596928379	 1.6269032774	-0.085527
+C	 0.8778134881	 1.21654394	 1.7980492959	 0.012514
+O	 2.1548056107	 1.9223710036	 1.7105046741	-0.306326
+C	 2.2214933974	 1.5816559404	 0.326436262	-0.023564
+C	 1.0595503502	 0.6103512479	 0.3801736501	 0.171638
+C	 0.8189216944	-0.7976793744	-0.0711666922	-0.521685
+H	 1.5347290351	 1.3726699148	-2.3351358824	 0.120047
+H	-0.1957060071	 1.7478288715	-2.2024658741	 0.126941
+H	 1.0032559171	 3.0532861429	-2.1661473899	 0.137063
+H	-0.1390926372	 3.0581715919	 2.3711971866	 0.118416
+H	-1.2185303985	 1.8115168735	 1.671915434	 0.088654
+H	 0.8153515219	 0.5660522261	 2.6723496746	 0.084903
+H	 3.1975721988	 1.5448544286	-0.1473736029	 0.098579
+H	 1.4067577802	-1.5141822219	 0.5133101392	 0.12681
+H	-0.238344609	-1.071935697	 0.0265316806	 0.12423
+H	 1.0920902022	-0.9241104856	-1.1235469639	 0.126829
+19
+0 2445	2.2806382	1.866416	1.5690532	1.9758	73.86	-0.21925	0.06273	0.28198	962.7187	0.157772	-422.539818	-422.531882	-422.530938	-422.571472	31.976
+O	 2.8922793313	 1.9310771512	 2.0147857763	-0.495449
+C	 1.7260149065	 1.2045107022	 2.2783583454	 0.323855
+C	 0.4710210779	 1.9260206226	 2.7752527405	-0.296462
+C	-0.6809852994	 1.1430717495	 2.0791905926	-0.211831
+C	-0.0299826811	-0.1898669657	 1.6593252529	-0.099055
+C	 0.5739398039	-0.9349459926	 2.8994486577	-0.236145
+C	 1.9247485268	-0.2893525828	 2.6004103956	-0.222485
+C	 1.4107245115	 0.1846222354	 1.2382836227	 0.385525
+O	 1.9290708767	 0.1585050502	-0.0338991995	-0.475793
+H	 3.4197954311	 1.9833286864	 2.8183893035	 0.28797
+H	 0.3812531707	 1.9087995384	 3.8672385548	 0.093961
+H	 0.5025118219	 2.9748812359	 2.4673604076	 0.105643
+H	-1.5481079382	 0.9954342035	 2.7302267359	 0.095119
+H	-1.0222712301	 1.6841493136	 1.1899792521	 0.103918
+H	-0.6211745472	-0.7986911893	 0.9762949279	 0.077883
+H	 0.1030132296	-0.7245799305	 3.8668816419	 0.086669
+H	 0.6073336391	-2.017018806	 2.7490731371	 0.105366
+H	 2.9050694198	-0.6500992003	 2.8948102196	 0.077937
+H	 2.6291047893	 0.8249277482	-0.0587243448	 0.293375
+19
+0 2446	2.8557926	1.8144475	1.5401953	1.5799	73.08	-0.22211	0.08949	0.3116	946.0047	0.159091	-422.559013	-422.551696	-422.550752	-422.59042	29.259
+C	-0.0308034891	 0.279105066	 0.7156883307	-0.475199
+C	 1.4763663909	 0.3803691862	 0.7742048487	 0.226992
+C	 2.2256617334	-0.8763298288	 1.2036766434	-0.270185
+C	 3.7640385638	-0.6539755137	 1.2277489283	-0.224045
+C	 4.0639867634	 0.7811909142	 0.8056549574	 0.166965
+O	 3.3938215347	 1.6796459949	 1.6837040937	-0.26682
+C	 2.0740133201	 1.7174308442	 1.1866860946	 0.011316
+C	 2.1594442628	 1.2781530554	-0.2468125907	 0.011253
+O	 3.5234221281	 1.0130404498	-0.4910287641	-0.266828
+H	-0.446775491	 0.0265314652	 1.6980717326	 0.120568
+H	-0.4853368409	 1.2234340911	 0.3970178248	 0.11574
+H	-0.3459811257	-0.4956175392	 0.0069091773	 0.120557
+H	 1.8671636203	-1.1809273909	 2.1934034506	 0.105815
+H	 1.9673702889	-1.6928464782	 0.5199728058	 0.10583
+H	 4.174975452	-0.8182868649	 2.2280799177	 0.107695
+H	 4.2760735618	-1.3353994986	 0.5421788045	 0.107681
+H	 5.1287230525	 1.0246379751	 0.7944860829	 0.092739
+H	 1.4923035027	 2.5430186622	 1.5766964964	 0.104964
+H	 1.6514342914	 1.7252986	-1.0918431347	 0.104961
+19
+0 2447	2.8466385	1.8238234	1.5595195	2.2143	73.34	-0.22992	0.0884	0.31832000000000005	939.1425	0.159355	-422.563554	-422.556317	-422.555372	-422.594807	29.086
+C	 0.0747189186	-0.0065064049	-0.0329341238	-0.482191
+C	 1.5839125784	-0.0312530637	 0.0281197059	 0.240723
+C	 2.1864848932	-1.3002834466	 0.6170031968	-0.123608
+O	 3.6097472051	-1.2407750952	 0.7574545508	-0.265202
+C	 4.1650326837	-0.0492414852	 0.2567894234	 0.167722
+C	 3.7976973745	 0.1340416805	-1.229008568	-0.259901
+C	 2.376402287	 0.6494705352	-1.084733797	-0.161878
+C	 2.3384476414	 1.2425942866	 0.3051137621	 0.066128
+O	 3.6016050459	 1.0762331713	 0.9149075384	-0.250814
+H	-0.3659631033	-0.1351340951	 0.9623835177	 0.122923
+H	-0.2870057549	 0.9443319212	-0.4370309788	 0.119566
+H	-0.3098691586	-0.8063386271	-0.6770376891	 0.120908
+H	 1.7604966288	-1.4828734537	 1.6129809989	 0.107353
+H	 1.9283818032	-2.1655424644	-0.0122740382	 0.098402
+H	 5.2297992499	-0.084561046	 0.4866389492	 0.093102
+H	 4.4395759081	 0.8822556675	-1.7051132992	 0.109008
+H	 3.8926951499	-0.811362591	-1.7685164831	 0.111949
+H	 1.8576453647	 1.1015028741	-1.9216852884	 0.086284
+H	 1.8515478345	 2.1703873465	 0.5792021824	 0.099527
+19
+0 2448	2.8332842	1.8466526	1.5828388	1.1865	73.74	-0.21673	0.08302	0.29975	934.3823	0.158955	-422.553295	-422.546039	-422.545095	-422.584515	29.273
+C	 0.0723357336	-0.1531609038	 0.0513179039	-0.461979
+C	 1.5599785617	 0.0576686562	 0.1071218417	 0.415352
+O	 2.0654772437	-0.3680461035	 1.352873721	-0.316879
+C	 3.4882287247	-0.4588854647	 1.4378146426	-0.061782
+C	 4.1386631697	 0.2333107064	 0.2446920925	 0.025024
+C	 3.5321824587	 1.6419300319	 0.0639163531	-0.236139
+C	 2.1840042208	 1.2846839493	-0.5415794404	-0.182997
+C	 2.4026685017	-0.1030704958	-1.1330629481	 0.01964
+O	 3.7412587239	-0.490390531	-0.9280181318	-0.261563
+H	-0.4249789143	 0.4183675278	 0.8418779901	 0.126942
+H	-0.3286182822	 0.1740368757	-0.9123219953	 0.11636
+H	-0.1713923545	-1.211214913	 0.1885181652	 0.127611
+H	 3.798144392	 0.0033923815	 2.3841228212	 0.09795
+H	 3.790600685	-1.5148243951	 1.4487982018	 0.103538
+H	 5.2279097721	 0.2040673176	 0.3099766592	 0.086487
+H	 3.4586777639	 2.1724542841	 1.0178991767	 0.11009
+H	 4.126084199	 2.2453258984	-0.6291548278	 0.108061
+H	 1.5723506684	 2.0417511293	-1.0187668985	 0.084917
+H	 2.0018046922	-0.4526497112	-2.077411017	 0.099365
+19
+0 2449	2.7775305	1.7954817	1.5303969	0.9487	72.93	-0.21471	0.07671	0.29142	940.9553	0.159745	-422.566849	-422.559687	-422.558743	-422.597907	29.512
+O	 0.0603592754	-0.0268244852	 0.8257191482	-0.475031
+C	-0.6645235629	 1.0489582067	 1.3548824186	 0.353155
+C	-1.497621011	 1.8425422603	 0.3615315762	-0.281654
+C	-2.1868611805	 3.0618474675	 1.0391993427	-0.211187
+C	-1.9654154943	 3.0109573642	 2.554758528	 0.064765
+C	-2.4117847269	 1.6432158334	 3.1196437144	-0.24127
+C	-1.223924264	 0.7769316992	 2.7360112434	-0.138371
+C	-0.0852435363	 1.7587833076	 2.5562664419	 0.021625
+O	-0.5494467924	 3.0661952327	 2.8013686455	-0.265301
+H	 0.7626604415	 0.3345154041	 0.2726644692	 0.279343
+H	-0.8485427369	 2.1805850113	-0.4556258415	 0.093401
+H	-2.2325603383	 1.1679891366	-0.0912962758	 0.109471
+H	-1.7653770526	 3.9987243498	 0.6645652891	 0.107676
+H	-3.2598221436	 3.0777605859	 0.8197661268	 0.097522
+H	-2.4170335651	 3.8683110784	 3.0582960036	 0.079526
+H	-2.522126394	 1.6770574029	 4.2080573449	 0.107242
+H	-3.3631309532	 1.3199139762	 2.6859355649	 0.102401
+H	-1.0694678758	-0.2011898868	 3.1736560365	 0.096342
+H	 0.931309941	 1.5860411651	 2.8880428334	 0.100344
+19
+0 2450	2.7700532	1.8033864	1.5494769	1.4933	73.59	-0.23264	0.07067	0.30331	934.6477	0.159551	-422.566925	-422.559755	-422.558811	-422.597961	29.54
+O	 0.2201833874	 0.1903370637	 0.5544183714	-0.475083
+C	-1.0517542472	 0.7699655576	 0.5277868643	 0.37137
+C	-1.1136766797	 2.1628537771	 1.1359177785	-0.135903
+O	-2.4087775877	 2.7564002201	 1.051804396	-0.278683
+C	-3.3825772969	 1.9529810038	 0.3861939473	 0.092656
+C	-3.5228419732	 0.5972355159	 1.1084974354	-0.237095
+C	-2.2658895842	-0.121892544	 0.6406093435	-0.136755
+C	-1.8637199333	 0.4933299153	-0.7020135556	-0.096397
+C	-2.8822512109	 1.5770479287	-1.0233353475	-0.239111
+H	 0.4088140171	-0.0726108008	 1.4626215874	 0.281808
+H	-0.8192305824	 2.1155509774	 2.1965269055	 0.086229
+H	-0.3845722826	 2.8089371399	 0.6269527741	 0.107056
+H	-4.296033439	 2.5499954332	 0.3865770751	 0.078867
+H	-3.585510637	 0.7400408023	 2.1917425736	 0.102186
+H	-4.4236217746	 0.0653441722	 0.779787631	 0.098608
+H	-2.1127604868	-1.1779024885	 0.831215637	 0.082265
+H	-1.4154938949	-0.1132815246	-1.4793183612	 0.091703
+H	-2.4642610463	 2.449433038	-1.5346854434	 0.106979
+H	-3.6974339579	 1.1764621428	-1.6370244125	 0.0993
+19
+0 2451	2.5072833	2.1798286	1.5578416	1.2551	73.	-0.23278	0.0869	0.31967999999999996	913.6814	0.15935	-422.545511	-422.538604	-422.537659	-422.57626	28.643
+C	 0.0761115517	-0.0443845707	-0.3286083196	-0.499899
+C	 1.5254024496	 0.0439201414	 0.0984690254	 0.312626
+C	 1.8371267996	-0.1645292028	 1.5782997587	-0.1596
+O	 3.0361446538	 0.5916735361	 1.8162254937	-0.272647
+C	 3.5829228643	 0.8748063703	 0.5322636224	 0.075022
+C	 3.9161255799	-0.4551965828	-0.1998956084	-0.243256
+C	 2.5619399721	-0.5632099409	-0.9236585047	 0.020987
+O	 2.5522059115	 0.7076800232	-1.6480415244	-0.30521
+C	 2.3501656012	 1.28390859	-0.3377887715	 0.033482
+H	-0.5483241818	 0.650597766	 0.2432096415	 0.118467
+H	-0.01974004	 0.19831413	-1.3904190632	 0.138723
+H	-0.3218509778	-1.053659749	-0.1726612594	 0.117872
+H	 1.0433384446	 0.2305678464	 2.2230180869	 0.10552
+H	 1.9872210062	-1.2227303243	 1.8376126231	 0.096345
+H	 4.3919653527	 1.5928459046	 0.6528561629	 0.083103
+H	 4.7241764101	-0.3688178015	-0.9290936038	 0.111058
+H	 4.1431637781	-1.2541677942	 0.5098304594	 0.107823
+H	 2.3399527862	-1.4312416405	-1.5453235604	 0.077394
+H	 1.994698028	 2.3135159686	-0.3293649187	 0.082189
+19
+0 2452	2.5305579	2.2010582	1.5764445	2.6004	73.2	-0.24123	0.08404	0.32527	908.0435	0.15951	-422.55396	-422.547072	-422.546127	-422.584708	28.551
+C	 0.0292903438	 0.5293173114	-0.0250180246	-0.501752
+C	 1.502997276	 0.2096114363	 0.1209534644	 0.296499
+C	 2.03558829	 0.2276987542	 1.5612846847	-0.146876
+O	 3.4343826029	 0.5274314644	 1.4269525123	-0.252353
+C	 3.7116227202	 0.2927128017	 0.0728465714	 0.207027
+O	 3.439328747	-1.0881293269	-0.2282411583	-0.285082
+C	 2.0973353723	-0.9688533779	-0.7417438915	 0.048297
+C	 2.2960909922	 0.0272360964	-1.9046816965	-0.256816
+C	 2.5798019524	 0.9862397534	-0.725500057	-0.140406
+H	-0.5789375433	-0.1960951478	 0.5278685001	 0.124011
+H	-0.1955891658	 1.5227979064	 0.3783314164	 0.123812
+H	-0.3051813115	 0.5071197112	-1.0657746687	 0.122822
+H	 1.565196456	 1.0082024971	 2.1702725386	 0.10158
+H	 1.9005934479	-0.7386147266	 2.0635825035	 0.10704
+H	 4.7548177313	 0.5355625795	-0.1240716659	 0.090363
+H	 1.6382415763	-1.9529376226	-0.8329905055	 0.077835
+H	 3.1079738973	-0.2012772367	-2.5980828082	 0.10376
+H	 1.3846177252	 0.2794067142	-2.4486626589	 0.104843
+H	 2.6173907996	 2.0719387223	-0.8023857262	 0.075395
+19
+0 2453	2.469942	2.2505197	1.5848953	1.027	73.24	-0.24267	0.0843	0.32697	907.6879	0.159185	-422.550925	-422.54399	-422.543046	-422.581697	28.723
+C	 0.0698285577	 0.1388410063	 0.1866154302	-0.482779
+C	 1.5020098568	-0.2118402247	-0.1223548751	 0.446481
+O	 2.00555084	-1.1804746533	 0.7748665788	-0.321239
+C	 3.0041996624	-1.9345784145	 0.0591018828	-0.092744
+C	 3.3534098611	-1.0356829072	-1.125647646	-0.090209
+C	 3.8424179801	 0.3267565592	-0.5439440965	-0.221882
+C	 2.4583401753	 0.993456584	-0.4932136193	 0.0102
+O	 2.0231490228	 0.8499128228	-1.8796115448	-0.302213
+C	 1.9283914745	-0.5548772913	-1.5682489205	 0.021303
+H	-0.0113004366	 0.5606459303	 1.1934113906	 0.126106
+H	-0.2948764753	 0.8755313665	-0.5333005126	 0.13592
+H	-0.563799896	-0.7517934234	 0.1414458436	 0.121666
+H	 3.8517020378	-2.1209014923	 0.72634663	 0.110061
+H	 2.586469802	-2.9044523319	-0.2506695989	 0.094182
+H	 3.9837006963	-1.4922109099	-1.8874436235	 0.075506
+H	 4.322505311	 0.2227421339	 0.4323258793	 0.105056
+H	 4.5031949837	 0.8735457674	-1.219435734	 0.108452
+H	 2.3511340708	 2.0037689661	-0.0972807254	 0.074709
+H	 1.3515398055	-1.1484007578	-2.2772916087	 0.081422
+19
+0 2454	2.4984197	2.2686158	1.5960635	1.8435	73.79	-0.22437	0.09288	0.31725000000000003	903.2783	0.159053	-422.548863	-422.541925	-422.540981	-422.579639	28.767
+C	 0.070083724	 0.2053625137	 0.2715580607	-0.482815
+C	 1.4474047326	-0.2467965869	-0.1486050799	 0.464316
+O	 1.9448006629	-1.1771608658	 0.7976638979	-0.320417
+C	 2.9338480893	-1.9744275453	 0.130274964	-0.08062
+C	 3.1661429296	-1.2020041565	-1.1612379055	 0.053648
+O	 3.7007933095	 0.0774535303	-0.734115222	-0.284901
+C	 2.4885768237	 0.8408740952	-0.6345476111	 0.027566
+C	 1.9000426142	 0.6872719558	-2.0560333171	-0.262405
+C	 1.7362066281	-0.7790644001	-1.5916795787	-0.140601
+H	 0.1151003105	 0.633313071	 1.277858721	 0.133516
+H	-0.3361687029	 0.9637573275	-0.4016166556	 0.120115
+H	-0.6179889678	-0.6447924889	 0.2985566389	 0.126349
+H	 3.8410639242	-2.0186028977	 0.7399829092	 0.114614
+H	 2.5566585252	-2.9951662001	-0.0357800347	 0.086435
+H	 3.8185530396	-1.6676205838	-1.9011486126	 0.080472
+H	 2.6780036872	 1.7911016535	-0.1368832896	 0.078773
+H	 0.9455904892	 1.1909770867	-2.2126751299	 0.10573
+H	 2.5882131778	 0.8957574112	-2.8765708547	 0.10659
+H	 1.1146349732	-1.5199655398	-2.0932964503	 0.073636
+19
+0 2455	2.4689315	2.1816448	1.5537542	1.3321	72.58	-0.24374	0.08366	0.3274	910.8356	0.160026	-422.557967	-422.551209	-422.550265	-422.588526	28.747
+O	 0.1245386419	 0.2449845052	 0.6707237262	-0.513582
+C	-1.0013892707	 1.0052722705	 0.3611666284	 0.492995
+C	-1.2525374061	 2.1489102817	 1.3362112294	-0.292907
+C	-2.8005097102	 2.3211136803	 1.2707758274	-0.22062
+C	-3.1934029397	 1.5630709265	-0.0128755504	-0.053939
+C	-2.4419003625	 2.1984763543	-1.2242560259	-0.224957
+C	-1.2224941076	 1.268496195	-1.1749483644	-0.011001
+O	-1.8652962479	-0.047603975	-1.2621202352	-0.324377
+C	-2.3391285864	 0.2613505303	 0.0768676559	 0.008352
+H	 0.1503269005	-0.4786725056	 0.0306445901	 0.283679
+H	-0.9037127693	 1.8680535986	 2.3329180217	 0.114963
+H	-0.7150400646	 3.0577884604	 1.0489069689	 0.105544
+H	-3.2718875831	 1.8610214401	 2.1465822169	 0.101047
+H	-3.1151860268	 3.36815429	 1.2472932815	 0.101174
+H	-4.2656566044	 1.4304654247	-0.1548618126	 0.069549
+H	-2.9703707262	 2.0764771135	-2.1721712319	 0.10982
+H	-2.2109963993	 3.257471716	-1.0782703387	 0.097859
+H	-0.395508257	 1.4063823459	-1.873063635	 0.076695
+H	-2.7057253807	-0.5972664723	 0.6396571277	 0.079708
+19
+0 2456	2.5209312	2.1779696	1.5722603	2.3142	73.46	-0.2336	0.07007	0.30367	905.3481	0.1596	-422.556694	-422.5498	-422.548856	-422.587346	29.086
+O	 0.2322294511	 0.2253000898	 0.3540175082	-0.501164
+C	-0.8937385029	 1.0552482605	 0.3825770761	 0.44014
+C	-0.9670605423	 2.0928699184	 1.5128815676	-0.296777
+C	-2.4831828572	 2.4225254044	 1.5904775301	-0.215569
+C	-3.0066514632	 1.7974475427	 0.2927531949	 0.096263
+O	-2.3237269937	 2.4893729236	-0.7926045462	-0.293562
+C	-1.2506954607	 1.5753168347	-1.0500118202	 0.0677
+C	-1.9879830425	 0.2405215891	-1.300348216	-0.252342
+C	-2.3279162424	 0.4111013521	 0.1992968245	-0.150387
+H	 0.2908108471	-0.2339236883	 1.1989871148	 0.278415
+H	-0.5873239698	 1.6620224872	 2.4464201864	 0.085552
+H	-0.3559927176	 2.9717710685	 1.2901180449	 0.114844
+H	-2.9560267302	 1.9578197632	 2.4634772141	 0.091538
+H	-2.6892956201	 3.494610661	 1.6238820714	 0.108941
+H	-4.0868169943	 1.8449819427	 0.1406398107	 0.072646
+H	-0.5185418678	 2.0185641324	-1.7238429874	 0.080236
+H	-2.7982850584	 0.2578612498	-2.0318461224	 0.094858
+H	-1.3077958808	-0.5942425286	-1.4684566768	 0.114821
+H	-2.7148758443	-0.386791033	 0.8340505953	 0.063848
+19
+0 2457	2.4987541	2.1792539	1.5762543	0.8538	73.22	-0.23816	0.06507	0.30323	902.0733	0.159935	-422.555793	-422.549003	-422.548059	-422.58634	28.789
+O	 0.1474198567	 0.2606357609	 0.4320628638	-0.500213
+C	-1.0813244484	 0.9187818912	 0.3249893955	 0.423896
+C	-1.3447988879	 2.0401409111	 1.3363155956	-0.165225
+O	-2.7693798331	 2.1307781296	 1.3955530384	-0.271417
+C	-3.2539109131	 1.3815942269	 0.2695119438	 0.10352
+C	-2.7258701713	 2.0473082199	-1.0355888883	-0.240807
+C	-1.447342568	 1.1994422301	-1.1773835273	-0.067049
+C	-2.0549934517	-0.2321240338	-1.2042681825	-0.248794
+C	-2.4112458422	 0.0842243788	 0.2658573644	-0.116822
+H	 0.2186830924	-0.1066833728	 1.3203062831	 0.281298
+H	-0.954685595	 1.7803510166	 2.3304681947	 0.087962
+H	-0.8959999712	 2.9976998482	 1.0374437702	 0.1008
+H	-4.3347656291	 1.2949438616	 0.3721436486	 0.077603
+H	-3.3908965024	 1.9158880455	-1.8941320582	 0.097621
+H	-2.5647631893	 3.1169694874	-0.8814353074	 0.105925
+H	-0.6804190976	 1.5191001186	-1.8823203417	 0.069219
+H	-2.8651760178	-0.4290578459	-1.9119869212	 0.087461
+H	-1.2904764128	-1.0067344535	-1.2716545048	 0.11323
+H	-2.6592007881	-0.6743828302	 1.0088650334	 0.061792
+19
+0 2458	2.8758139	1.816389	1.45153	1.7831	73.72	-0.23294	0.09048	0.32342000000000004	962.5164	0.158867	-422.551327	-422.543951	-422.543007	-422.582782	29.225
+C	 0.3963941887	 1.338182661	-0.4369841733	-0.499026
+C	 1.7014759945	 0.625626542	-0.6961333053	 0.278037
+C	 2.7219101752	 1.2642430079	-1.6357584777	-0.141872
+O	 4.0164689173	 1.0304692711	-1.0789063812	-0.268224
+C	 3.9328023319	-0.0526324467	-0.1569922306	 0.062573
+C	 3.985696602	-1.3973685677	-0.893584457	-0.091557
+O	 2.6701317001	-1.5723041556	-1.4370235848	-0.263584
+C	 1.7703190896	-0.8879167838	-0.5979003242	 0.047862
+C	 2.5024780787	-0.0441662271	 0.4029365381	-0.179077
+H	-0.2362408319	 0.769331701	 0.2518280606	 0.119105
+H	 0.5631760084	 2.3278521836	 0.003482904	 0.123461
+H	-0.1697825504	 1.4756161095	-1.3652497705	 0.125955
+H	 2.6590401782	 0.8363847994	-2.6454165139	 0.107117
+H	 2.5714976603	 2.3478016704	-1.704792636	 0.100692
+H	 4.7251123122	 0.0674888806	 0.5849876012	 0.085839
+H	 4.7031753561	-1.3954682736	-1.7174692756	 0.118181
+H	 4.2246278621	-2.2174514456	-0.1988601775	 0.090449
+H	 0.8738428598	-1.4525728973	-0.3608708804	 0.09348
+H	 2.2820671171	 0.022236721	 1.4606030941	 0.090588
+19
+0 2459	2.9133716	1.7925503	1.4249006	2.8667	73.16	-0.24892	0.08207	0.33099	967.924	0.159294	-422.563162	-422.555817	-422.554873	-422.594726	28.997
+C	 0.1632999877	-0.6143417274	 0.165716309	-0.496666
+C	 1.5143648781	 0.0221533942	-0.05989166	 0.309348
+C	 2.067505651	 0.0480961871	-1.4845163535	-0.151052
+O	 3.4744840206	-0.1717491787	-1.3886862882	-0.257481
+C	 3.8931945738	 0.099561453	-0.0648938907	 0.182955
+O	 4.1891395055	 1.4698188158	 0.115925694	-0.256265
+C	 2.9776231367	 2.166757204	 0.4175053077	-0.108062
+C	 1.9861022441	 1.1131246039	 0.893560271	-0.13102
+C	 2.6957578048	-0.2128406403	 0.8409476543	-0.14722
+H	-0.0965012347	-0.6257933673	 1.2286998997	 0.12018
+H	-0.6267845732	-0.066052084	-0.3602942752	 0.123532
+H	 0.1474467904	-1.6488777717	-0.1952222923	 0.123896
+H	 1.6345026117	-0.7599745106	-2.0855994597	 0.10303
+H	 1.8640137662	 0.9981848404	-1.9991062259	 0.100284
+H	 4.8121368955	-0.4597888332	 0.1117972857	 0.094821
+H	 3.1891864939	 2.8979348514	 1.205305837	 0.107437
+H	 2.625471337	 2.7148099147	-0.4677868484	 0.10155
+H	 1.3293677582	 1.3620207498	 1.7199063214	 0.089504
+H	 2.7447044428	-0.9382744811	 1.6425535741	 0.09123
+19
+0 2460	2.90236	1.8273071	1.463782	2.4116	73.96	-0.21806	0.08494	0.303	959.5515	0.158607	-422.546883	-422.539487	-422.538543	-422.578387	29.301
+C	 0.0411847489	 0.1559188929	 0.2492088299	-0.478557
+C	 1.443173769	 0.0391462138	-0.2766344585	 0.422867
+O	 1.9945356137	 1.2607972721	-0.7152555138	-0.293175
+C	 3.3452346827	 1.3402972886	-0.2612002457	-0.081329
+C	 3.8215204037	-0.112810517	-0.0991024399	-0.086416
+C	 4.1246726274	-0.7765258327	-1.4533791031	-0.073314
+O	 2.8537421393	-1.0702624645	-2.0375828479	-0.254407
+C	 1.9212159707	-1.2138938336	-1.0001658012	 0.028691
+C	 2.5225127724	-0.8272332982	 0.3296758962	-0.219811
+H	 0.007649208	 0.7924862196	 1.1397550883	 0.122122
+H	-0.6142861526	 0.5958054561	-0.5091752732	 0.134354
+H	-0.357014276	-0.8281928913	 0.5141963779	 0.116934
+H	 3.9188802621	 1.9079653571	-1.0007739968	 0.107042
+H	 3.3921825412	 1.8725155681	 0.7014563561	 0.090302
+H	 4.6423641708	-0.2132199121	 0.6136740708	 0.080464
+H	 4.6720011225	-0.1275908505	-2.1441284319	 0.108469
+H	 4.7002778625	-1.7038781968	-1.311411578	 0.091781
+H	 1.2487225821	-2.0578453342	-1.1215248816	 0.093784
+H	 2.4360666315	-1.3902077773	 1.2507276424	 0.090199
+19
+0 2461	2.9617523	1.8007772	1.4620966	1.7943	73.7	-0.23372	0.08261	0.31633	957.0855	0.158773	-422.554696	-422.547329	-422.546384	-422.586127	29.281
+C	 0.0625469254	 0.1458402058	 0.2378175229	-0.479726
+C	 1.4920432372	-0.0450973387	-0.1839898827	 0.444884
+O	 2.0438306443	 1.0851154114	-0.8360075635	-0.302401
+C	 3.3538218281	 1.3087376944	-0.3047689974	-0.099464
+C	 3.8481685377	-0.0760616448	 0.1322301393	 0.064229
+O	 4.2964483396	-0.8321531668	-0.9881665919	-0.267024
+C	 3.1606532865	-1.402291943	-1.6450436189	-0.09927
+C	 2.0222838862	-1.395008466	-0.6350708424	-0.142898
+C	 2.5506477258	-0.7367204169	 0.6236140195	-0.172743
+H	-0.0266658995	 0.9816105124	 0.9392857839	 0.123999
+H	-0.5683460895	 0.3638939852	-0.6299042721	 0.131371
+H	-0.3230096797	-0.7561445203	 0.7218092839	 0.117455
+H	 3.9768611411	 1.7472868326	-1.087965191	 0.116465
+H	 3.3073594007	 1.9963299506	 0.5543268013	 0.088582
+H	 4.6585965603	-0.0382697636	 0.8632584419	 0.085326
+H	 2.9096166483	-0.8196365567	-2.5411947708	 0.10736
+H	 3.4204586963	-2.4214061548	-1.9510637292	 0.103169
+H	 1.3644767919	-2.2551607013	-0.5773146163	 0.089548
+H	 2.4286685495	-1.1235057195	 1.6271001736	 0.091137
+19
+0 2462	2.7835601	1.7986257	1.438119	0.5766	73.13	-0.2234	0.07632	0.29972	960.3302	0.159331	-422.558402	-422.551122	-422.550178	-422.589664	29.607
+O	 0.3551700537	 0.1714831416	 0.5385240413	-0.478128
+C	-0.8664799546	 0.737859637	 0.9067602509	 0.363169
+C	-0.9716412458	 2.2524672595	 1.10177656	-0.292046
+C	-2.2847172763	 2.6514297518	 0.3846813796	-0.202592
+C	-3.1452538428	 1.364550063	 0.3411784787	-0.063008
+C	-3.8093684104	 1.0575982438	 1.6954715898	-0.075357
+O	-2.7725418362	 0.5104174199	 2.5213991347	-0.2604
+C	-1.8520384244	-0.1272361746	 1.6696322968	 0.018021
+C	-2.1178239787	 0.2208459708	 0.230337709	-0.162176
+H	 0.9107358159	 0.1249767584	 1.3245610777	 0.282921
+H	-0.9998095264	 2.513846677	 2.1646210532	 0.108573
+H	-0.0971308811	 2.7333126651	 0.6561275518	 0.103266
+H	-2.8034513259	 3.4851004228	 0.868934228	 0.093588
+H	-2.0593162633	 2.9589157882	-0.6417422676	 0.102213
+H	-3.8757288796	 1.3767420967	-0.4706738016	 0.075145
+H	-4.2082617791	 1.9422152913	 2.2012474504	 0.105104
+H	-4.621059377	 0.3242148293	 1.5757481112	 0.091642
+H	-1.5504249436	-1.122812611	 1.9810449898	 0.094224
+H	-2.1056427845	-0.5021350607	-0.5747626737	 0.09584
+19
+0 2463	2.8062026	1.7828701	1.4157585	1.7335	73.12	-0.24154	0.07246	0.314	963.5447	0.159363	-422.562665	-422.555375	-422.554431	-422.594038	29.562
+O	 0.455004111	 0.5862776945	 0.6014230451	-0.48306
+C	-0.8611972735	 1.0146642379	 0.4296194709	 0.412404
+C	-1.9238226292	-0.0088858352	 0.012610665	-0.30169
+C	-3.202532333	 0.417001412	 0.7725465689	-0.207687
+C	-2.9989575571	 1.911704331	 1.1010403874	 0.080153
+O	-3.3278698768	 2.7243576136	-0.0320907127	-0.270026
+C	-2.1828592045	 2.8639515477	-0.8717278647	-0.104412
+C	-0.9823961567	 2.4393977782	-0.043906212	-0.098632
+C	-1.4909120055	 2.0628938594	 1.329414506	-0.177961
+H	 0.4681542746	-0.0573404633	 1.3188051301	 0.279123
+H	-2.0718134466	-0.0239368538	-1.0726648896	 0.111424
+H	-1.5920941552	-1.012855376	 0.2960855081	 0.091958
+H	-4.1244138649	 0.2591441732	 0.207643403	 0.106161
+H	-3.281594464	-0.1445529776	 1.7107473036	 0.093211
+H	-3.6213287376	 2.2517782614	 1.9320120877	 0.079787
+H	-2.3020356671	 2.2593773089	-1.7832479373	 0.095002
+H	-2.1008684344	 3.9141348484	-1.1760320102	 0.104142
+H	-0.0489961773	 2.9807939108	-0.1431041673	 0.100668
+H	-1.0572896323	 2.4303574289	 2.2504166982	 0.089435
+19
+0 2464	2.8458202	1.7701394	1.4184353	2.0469	73.29	-0.24016	0.06763	0.30779	966.0264	0.159064	-422.56129	-422.553845	-422.552901	-422.592922	29.765
+O	 0.4397149076	 0.331168887	 0.7701140401	-0.475142
+C	-0.508169073	 1.2997861408	 1.1003034174	 0.375911
+C	-1.6054577491	 1.5965967036	 0.0860175102	-0.149851
+O	-1.8583287378	 2.9947964242	 0.1464428278	-0.27684
+C	-1.1638539428	 3.5855601223	 1.2597014455	 0.089533
+C	-2.096615712	 3.6356702966	 2.4809990702	-0.201429
+C	-2.0939023428	 2.1833155184	 3.023627878	-0.244922
+C	-0.749086131	 1.6104076915	 2.5672695132	-0.120374
+C	-0.0521365603	 2.6104966449	 1.6561838273	-0.14311
+H	 0.0910482159	-0.5291449667	 1.0265716354	 0.284918
+H	-1.243952658	 1.3266756842	-0.9142034327	 0.107395
+H	-2.5351789737	 1.0392620024	 0.27687653	 0.08795
+H	-0.811877961	 4.5700939562	 0.9419306065	 0.079843
+H	-1.6708075084	 4.3131413651	 3.2306540668	 0.09545
+H	-3.0896358845	 4.0051328182	 2.2124410049	 0.103957
+H	-2.1778714501	 2.1554939885	 4.1133683864	 0.100246
+H	-2.9400369944	 1.6094655706	 2.6289889287	 0.104905
+H	-0.1527177526	 1.0258879973	 3.259891069	 0.084805
+H	 0.9903668082	 2.8889842749	 1.7330317554	 0.096755
+19
+0 2465	2.5141452	1.9595206	1.5628121	2.4932	74.79	-0.23884	0.08381	0.32265	938.	0.1574	-422.475101	-422.467527	-422.466583	-422.506695	30.262
+C	-0.1993368883	-0.0363009571	-0.3274744216	-0.492992
+C	 1.2812637493	-0.1711278328	-0.0039346194	 0.29717
+C	 2.0239951428	-1.0986543321	-0.9726190679	-0.136055
+O	 2.5447462499	-0.2046984756	-1.9935143462	-0.288418
+C	 2.7918424651	 1.1114472153	-1.4709721093	-0.187662
+C	 2.2682030497	 1.0235600212	-0.0679698176	 0.361678
+C	 1.6294106711	 1.6886552049	 1.1705367443	-0.323395
+C	 1.8309216859	 0.1542184538	 1.4299093464	-0.025575
+O	 3.1783022964	 0.288953415	 0.86920186	-0.338174
+H	-0.7003243453	 0.7554542298	 0.2334955769	 0.117533
+H	-0.3420377503	 0.1601261708	-1.3954609315	 0.135023
+H	-0.7167503654	-0.9745316642	-0.0970605976	 0.124843
+H	 2.8416170816	-1.6446737446	-0.4962533085	 0.114273
+H	 1.3627290916	-1.7987603352	-1.4893221568	 0.099189
+H	 3.8643828584	 1.3378961149	-1.4962120127	 0.116985
+H	 2.2536615585	 1.8510915499	-2.0762530057	 0.109016
+H	 2.3002320919	 2.3226368636	 1.7498352825	 0.116132
+H	 0.6240262512	 2.1020565252	 1.0881062331	 0.106238
+H	 1.7253612561	-0.3920559727	 2.3689659518	 0.094192
+19
+0 2466	2.5374414	1.9667492	1.6202727	1.3979	74.61	-0.23563	0.0612	0.29683	925.8752	0.156826	-422.468357	-422.460735	-422.459791	-422.499876	30.654
+C	-0.0434586737	 0.169274036	-0.2889135479	-0.470292
+C	 1.4039317028	 0.076122459	 0.1462664833	 0.423007
+O	 1.8928880223	 1.3196343457	 0.6277265835	-0.333847
+C	 2.6525789894	 1.9114044391	-0.469229621	-0.079756
+C	 2.8428727167	 0.8475337602	-1.6263631638	-0.402454
+C	 2.5152852829	-0.3541336924	-0.7910570344	 0.396759
+C	 3.3685691532	-0.8755366692	 0.4055340529	-0.267807
+C	 1.9291895144	-1.3503608178	 0.5763199605	-0.044546
+O	 1.9063978818	-1.7035942224	-0.8961421908	-0.381723
+H	-0.6654214705	 0.424075674	 0.5754910123	 0.12467
+H	-0.1837341393	 0.959961171	-1.0342815738	 0.110836
+H	-0.3869582812	-0.7759820523	-0.7110358765	 0.1384
+H	 2.1245105547	 2.7991571574	-0.8321254565	 0.115015
+H	 3.6204738015	 2.2251702561	-0.0665741801	 0.116392
+H	 2.1151275369	 0.9986577829	-2.4282185477	 0.126755
+H	 3.8505896017	 0.8830091869	-2.0450315249	 0.117742
+H	 4.0793324942	-1.6585836204	 0.1416063031	 0.10372
+H	 3.7558696124	-0.1479805515	 1.1180721461	 0.116271
+H	 1.4968909697	-2.1000767423	 1.2406150055	 0.090857
+19
+0 2467	2.5435114	2.0233533	1.6313155	0.9305	74.48	-0.24448	0.07935	0.32383	918.3192	0.157626	-422.48118	-422.473731	-422.472787	-422.512614	30.026
+C	-0.1521242062	 0.2415010198	-0.1207622492	-0.477364
+C	 1.3249784525	 0.0462768518	 0.1716651144	 0.432469
+O	 1.8792072788	 1.2997013676	 0.5984902422	-0.34163
+C	 2.5822578254	 1.8183137813	-0.5516759368	-0.012702
+O	 2.6705557208	 0.8090456461	-1.5839934877	-0.331052
+C	 2.3688949611	-0.3359618273	-0.8511062586	 0.381743
+C	 1.7416162992	-1.7450130063	-0.96724748	-0.317108
+C	 1.8509560083	-1.3870364176	 0.5875044938	-0.150378
+C	 3.2818120155	-0.9006179594	 0.293205049	-0.291848
+H	-0.6166108298	 0.7133783534	 0.7503259164	 0.130868
+H	-0.3018135138	 0.9090057202	-0.9766402861	 0.123846
+H	-0.6803332351	-0.6947806329	-0.3132737795	 0.11679
+H	 2.0525010537	 2.6787126804	-0.9758739236	 0.116409
+H	 3.5884222141	 2.1076721735	-0.2239878624	 0.112018
+H	 0.748459248	-1.8290652453	-1.4062091711	 0.110684
+H	 2.3978581781	-2.5525925154	-1.2962968333	 0.107239
+H	 1.5188950818	-2.0241920709	 1.405336898	 0.085415
+H	 3.7031250762	-0.1791625419	 0.9905933728	 0.113543
+H	 4.0018766813	-1.6656811171	-0.0023379581	 0.091056
+19
+0 2468	2.49547	1.9522436	1.5657933	1.9693	74.66	-0.22946	0.0638	0.29325999999999997	938.8755	0.157554	-422.49597	-422.488357	-422.487413	-422.527571	30.822
+O	 0.5597657909	 0.2382915544	 0.1818546839	-0.483449
+C	-0.4458642989	 0.8269928722	 0.967018587	 0.432521
+C	-1.1834992651	-0.1281477923	 1.9264737171	-0.325164
+C	-2.6783135477	-0.1719195226	 1.429600727	-0.192249
+C	-2.7964947775	 0.7032774896	 0.1321044711	-0.364214
+C	-1.6160036883	 1.6063551702	 0.3114234252	 0.371596
+C	-0.6246361098	 2.6384284637	-0.2720024249	-0.324214
+C	-0.2417756661	 2.3434816727	 1.2180396776	-0.00533
+O	-1.6677092325	 2.4266538946	 1.56485718	-0.352227
+H	 0.2689428166	-0.639126207	-0.0866354508	 0.279866
+H	-0.713070559	-1.1158719132	 1.8816935329	 0.09026
+H	-1.1357204408	 0.1986941314	 2.9656454369	 0.123919
+H	-3.0167070904	-1.1956894881	 1.2469362566	 0.095226
+H	-3.3269417235	 0.2493855693	 2.1992528308	 0.123742
+H	-2.6665680427	 0.1020042564	-0.7753410864	 0.104249
+H	-3.7587264748	 1.2166605413	 0.0626160912	 0.115938
+H	 0.0564513393	 2.2996597371	-1.0523576852	 0.114951
+H	-1.0289184901	 3.6368745784	-0.4404335226	 0.105023
+H	 0.4686050305	 2.8715116822	 1.8566936027	 0.089556
+19
+0 2469	2.5536566	1.9424004	1.6134558	1.2813	74.25	-0.23655	0.06562	0.30217	924.188	0.158247	-422.492493	-422.485065	-422.484121	-422.524019	30.249
+O	 0.38585747	 0.338004536	 0.5813550858	-0.491449
+C	-0.902878851	 0.7298878928	 1.0085188774	 0.444993
+C	-1.2018521191	 2.1955015225	 0.6405285676	-0.380206
+C	-0.9430243394	 2.9358194511	 2.0169298335	-0.099649
+O	-0.7144514021	 1.9442380228	 3.058637124	-0.323377
+C	-1.2046413858	 0.7704244914	 2.5036965628	 0.370593
+C	-0.9524930649	-0.7566577318	 2.5811185426	-0.304319
+C	-1.8459504828	-0.4852698115	 1.2933894588	-0.136476
+C	-2.7039238773	 0.4442757014	 2.1852487803	-0.304306
+H	 1.0292433336	 0.9486248942	 0.9599163084	 0.279868
+H	-0.5226455103	 2.5398939611	-0.1410705856	 0.111218
+H	-2.219574988	 2.3778159263	 0.2945417946	 0.121061
+H	-0.0623419206	 3.5839020171	 1.9905929639	 0.112313
+H	-1.8088405587	 3.5465747575	 2.2951298043	 0.111746
+H	 0.0618056619	-1.1016136043	 2.3973508366	 0.116857
+H	-1.4465037929	-1.3000192584	 3.3890977547	 0.095218
+H	-2.2014272894	-1.2403534836	 0.5950018148	 0.085095
+H	-3.3072398813	 1.2043034199	 1.6886173865	 0.093458
+H	-3.2636330717	-0.0458157445	 2.9836137291	 0.097361
+19
+0 2470	2.5758027	1.9200657	1.5767512	2.6105	74.94	-0.24125	0.06864	0.30989	928.5928	0.158472	-422.490435	-422.483045	-422.482101	-422.521755	30.092
+O	 0.2778086527	 0.6132750055	-0.2042855208	-0.49333
+C	-0.9082702065	 0.9117260897	 0.4977373511	 0.442246
+C	-0.6193047867	 2.1542411372	 1.3464725459	-0.155644
+O	-1.3031349632	 3.2534126889	 0.6951819058	-0.283046
+C	-1.9538184908	 2.8408324911	-0.525415349	-0.20821
+C	-2.1841687927	 1.3821269614	-0.2620684583	 0.273598
+C	-3.0154167157	 0.8530499662	 0.9508869767	-0.251486
+C	-1.9523315021	-0.2384235378	 0.6862067804	-0.162282
+C	-2.2963194245	-0.0533367911	-0.8518106162	-0.346659
+H	 0.1834846779	-0.2391488227	-0.6385085362	 0.282253
+H	-0.9691717338	 2.0990917697	 2.3813698068	 0.105674
+H	 0.4574637423	 2.3453738983	 1.3477856041	 0.114967
+H	-2.8508385782	 3.4568960026	-0.6339591434	 0.107388
+H	-1.2997249908	 2.9985503286	-1.395463655	 0.101652
+H	-2.9587662075	 1.4009176246	 1.8904490299	 0.111276
+H	-4.0454792172	 0.5735367835	 0.7194963682	 0.094429
+H	-1.8286152997	-1.1871803591	 1.2139986765	 0.073849
+H	-1.555486696	-0.3537623598	-1.59520295	 0.091194
+H	-3.2933832173	-0.3831594067	-1.1526513264	 0.102129
+19
+0 2471	2.7311702	1.6892258	1.3548497	1.7768	76.72	-0.23773	0.00353	0.24126	1010.4742	0.157784	-422.555833	-422.54784	-422.546895	-422.588085	30.678
+C	-0.1552056888	 1.6560576337	-0.0172011358	-0.432519
+C	 0.0117282277	 0.1326358221	-0.0088945943	 0.323251
+C	-1.337436395	-0.5874233807	 0.1806238696	-0.118032
+O	-1.5544770333	-0.5436300566	 1.5989501036	-0.277938
+C	-0.29066572	-0.5810941789	 2.2921106486	-0.169243
+C	 0.7205249402	-0.4218107902	 1.2053813636	 0.266467
+C	 1.909075566	-0.8946663826	 0.8597840097	-0.272469
+C	 2.0940008337	-0.6900686536	-0.627824773	-0.13023
+O	 0.8069724437	-0.2875950415	-1.112873965	-0.320525
+H	 0.8127677515	 2.1545843679	 0.0864229012	 0.115874
+H	-0.6066911863	 1.9707592703	-0.9630016548	 0.125626
+H	-0.8060986074	 1.9780986902	 0.8011758255	 0.127739
+H	-2.1925213667	-0.0938922004	-0.2888231449	 0.10628
+H	-1.2618021626	-1.6192302367	-0.1913649385	 0.097365
+H	-0.2856809984	 0.2315067129	 3.0296971748	 0.116835
+H	-0.1756918862	-1.5298870304	 2.832623634	 0.11474
+H	 2.6270786651	-1.4162584659	 1.4803022101	 0.108334
+H	 2.854200764	 0.0701186371	-0.8726100121	 0.104397
+H	 2.3899725428	-1.6187579066	-1.1340360823	 0.11405
+19
+0 2472	2.5544892	1.7986489	1.4125886	2.7783	77.05	-0.24575	0.00341	0.24916	999.2353	0.157597	-422.566803	-422.558775	-422.557831	-422.599284	30.755
+C	 0.0105744087	 1.8186760984	-0.0799473249	-0.41623
+C	 0.0353032043	 0.2986948636	 0.06233284	 0.430155
+O	-1.3116032168	-0.1565591766	 0.1827026124	-0.29447
+C	-1.5020624825	-0.7963513338	 1.4535327603	-0.067149
+C	-0.2994912537	-0.3901026171	 2.3540497698	-0.343304
+C	 0.7202310336	-0.289137228	 1.2736708262	 0.215704
+C	 1.8202211692	-0.9307537736	 0.9039000106	-0.237595
+C	 1.9545094966	-0.8317829362	-0.5963389962	-0.126225
+O	 0.7270383966	-0.2536350341	-1.0476126321	-0.296006
+H	 1.0252200418	 2.2111860062	-0.1914322179	 0.114409
+H	-0.5682088782	 2.0819640719	-0.9693796718	 0.135137
+H	-0.4609810779	 2.2863865024	 0.7891211013	 0.109056
+H	-2.468874621	-0.4770871501	 1.8541460085	 0.108448
+H	-1.5191996657	-1.8873751894	 1.3269796118	 0.10455
+H	-0.4937143377	 0.5714145635	 2.8427491328	 0.118318
+H	-0.0765479636	-1.1340102885	 3.1209518577	 0.115497
+H	 2.4742460423	-1.5357165786	 1.5193739005	 0.107385
+H	 2.8041668828	-0.2124155857	-0.9251287872	 0.106941
+H	 2.0800730713	-1.8237578643	-1.0517952017	 0.115379
+19
+0 2473	2.8265055	1.636988	1.3092022	1.4224	76.72	-0.23872	0.00798	0.24669999999999997	1023.7309	0.158624	-422.570088	-422.562269	-422.561325	-422.602111	30.726
+O	-0.059735536	 1.4417544235	-0.0526725458	-0.491846
+C	-0.022693196	 0.0114532269	-0.0488969658	 0.367105
+C	-1.4534854684	-0.5100994537	 0.1232279642	-0.281489
+C	-1.5911864164	-0.7690900892	 1.6528459963	-0.251382
+C	-0.1538189302	-0.9571870892	 2.1048193914	-0.248094
+C	 0.694827443	-0.5381742411	 1.1735295997	 0.297713
+C	 2.1569657927	-0.5990220023	 0.8467643579	-0.200152
+O	 2.2243177585	-0.2668083924	-0.5548949283	-0.28332
+C	 0.9290031737	-0.4924639163	-1.1365814458	-0.161848
+H	 0.8526790631	 1.7442058189	-0.1361804543	 0.281161
+H	-2.1827158834	 0.2044754487	-0.2632443773	 0.113902
+H	-1.5762140869	-1.4522175048	-0.4200292043	 0.102322
+H	-2.0652234597	 0.0764296949	 2.1684027095	 0.119117
+H	-2.2086514662	-1.6480893279	 1.8689364089	 0.103335
+H	 0.1049391932	-1.3916684965	 3.0649205519	 0.095738
+H	 2.7773841205	 0.125484447	 1.3866119556	 0.121012
+H	 2.5769074054	-1.5997760601	 1.025744097	 0.114218
+H	 0.7702417577	-1.5609236531	-1.3497254137	 0.08991
+H	 0.8859497555	 0.0776035466	-2.0676158169	 0.112599
+19
+0 2474	2.5957779	1.8126498	1.3932109	2.0741	73.24	-0.23986	0.08034	0.3202	985.5079	0.157601	-422.528482	-422.520801	-422.519856	-422.560223	30.268
+C	 0.2435450584	 0.2478426913	-1.8050960999	-0.483865
+C	 1.2671878435	 0.0957352584	-0.6914770476	 0.280444
+C	 1.9239229629	-1.2927525341	-0.5980411844	-0.287004
+C	 3.3406500371	-1.0108753398	-0.0758988982	-0.094066
+O	 3.6921625039	 0.2672803921	-0.602701063	-0.258259
+C	 2.5304567481	 1.0628661023	-0.6454781699	 0.0403
+C	 2.0378856854	 1.5678433442	 0.7248260299	-0.014173
+O	 0.7213993493	 2.0904325648	 0.5140759111	-0.247682
+C	 0.8690033158	 0.6751990546	 0.6830418318	-0.020552
+H	-0.5811768518	-0.4645604066	-1.6853329713	 0.113733
+H	-0.1751500544	 1.2573093939	-1.804445077	 0.136256
+H	 0.7008854791	 0.0639156382	-2.7834027447	 0.117048
+H	 1.3710231386	-1.9838969824	 0.045685975	 0.102623
+H	 1.9719434309	-1.7357681462	-1.5979893735	 0.110183
+H	 3.3636728649	-0.9983364256	 1.0236400124	 0.097243
+H	 4.0877395266	-1.7289279608	-0.4233542467	 0.112509
+H	 2.6517710778	 1.8223359562	-1.4208108478	 0.08894
+H	 2.6126019443	 1.9537017232	 1.5592766023	 0.107541
+H	 0.3029893797	 0.2101084765	 1.4838105515	 0.098779
+19
+0 2475	2.3627321	1.9336604	1.4731479	2.5422	73.14	-0.23835	0.07437	0.31272	967.4428	0.157941	-422.519464	-422.511889	-422.510945	-422.551111	29.968
+C	 0.3061536332	 0.6563438881	 0.0820073125	-0.486005
+C	 1.0364791275	-0.6145502635	-0.3208624882	 0.304585
+C	 0.1404945639	-1.7231344872	-0.905643541	-0.144874
+O	 0.3707528518	-1.7010234602	-2.3132393832	-0.256756
+C	 1.7563498305	-1.430230312	-2.5271497595	-0.099265
+C	 2.1526885573	-0.445350914	-1.4192533605	-0.109702
+C	 3.1943178219	-0.8708513297	-0.3621076164	 0.008586
+O	 2.828181668	-2.1772767498	 0.1000355439	-0.241204
+C	 2.1569287716	-1.0461097458	 0.663639075	-0.038574
+H	-0.3719427313	 0.4730489502	 0.92364201	 0.118951
+H	 1.0067246037	 1.4424187248	 0.3857537434	 0.11561
+H	-0.2888235872	 1.0386331501	-0.7537829927	 0.131012
+H	 0.4059544727	-2.7018124338	-0.4835635692	 0.103458
+H	-0.9276975867	-1.5446531034	-0.7518902872	 0.101064
+H	 2.3483483534	-2.3531367633	-2.4567107824	 0.102827
+H	 1.8529284942	-1.0215287548	-3.5363415785	 0.103674
+H	 2.2745871634	 0.5850416696	-1.7589749221	 0.079658
+H	 4.2380371172	-0.5918035039	-0.2765256676	 0.105678
+H	 2.1928900948	-0.9309223613	 1.7416756739	 0.101275
+19
+0 2476	2.6051317	1.827358	1.4107993	1.9124	73.52	-0.23922	0.07961	0.31883	980.8078	0.157439	-422.532264	-422.524579	-422.523635	-422.563983	30.37
+C	-0.1187838458	 0.1137393041	 0.2817459326	-0.465551
+C	 1.3216137974	-0.0940696637	-0.1261559843	 0.401389
+O	 1.6379660332	 0.7637299453	-1.2108473156	-0.299629
+C	 2.6677437878	 0.1768210424	-1.9994038098	-0.092581
+C	 2.4238817953	-1.3386719156	-1.9285910394	-0.24218
+C	 1.866302952	-1.5373868701	-0.5167666482	-0.124208
+C	 2.8875941628	-1.3966790986	 0.6204952142	 0.02486
+O	 2.1482733179	-1.1960634388	 1.8309543663	-0.248755
+C	 2.3936530385	-0.0615137161	 0.9921965854	-0.039439
+H	-0.3450703957	-0.4851397578	 1.1667680254	 0.135086
+H	-0.2996230983	 1.1686391377	 0.5116181847	 0.12403
+H	-0.7943147484	-0.1769211188	-0.5284656557	 0.117911
+H	 2.588023281	 0.588590628	-3.0090175189	 0.110838
+H	 3.6608284888	 0.4349403886	-1.6029437932	 0.09599
+H	 1.6723168412	-1.6355957672	-2.666347882	 0.112715
+H	 3.3309983154	-1.9189863258	-2.122601715	 0.103545
+H	 1.1858270668	-2.3853042779	-0.4202137015	 0.081576
+H	 3.8767672826	-1.8327939774	 0.7092703268	 0.101639
+H	 2.8979487075	 0.7942447716	 1.4276773381	 0.102764
+19
+0 2477	2.6064491	1.8807409	1.4251586	1.4387	73.79	-0.2511	0.09235	0.34345	973.3493	0.157939	-422.536225	-422.528631	-422.527687	-422.567833	30.104
+C	-0.137525902	-0.3076545999	-0.0427602983	-0.460312
+C	 1.3188725525	 0.0958175748	 0.0513962065	 0.388325
+O	 1.6101177275	 0.9591903633	-1.0443614335	-0.29458
+C	 2.9515853578	 0.7480057846	-1.4136172358	 0.000255
+O	 3.2353008097	-0.6107757256	-1.1622110904	-0.25732
+C	 2.5038773299	-0.9539157705	-0.0046589826	 0.04178
+C	 3.0475805904	-0.3829839068	 1.3111945879	-0.084255
+C	 1.9977700755	-0.5110243914	 2.3754839951	-0.305731
+C	 1.8851193326	 0.614733199	 1.3857302307	-0.103109
+H	-0.4253119466	-0.9582292883	 0.7868017127	 0.116721
+H	-0.7754355431	 0.5815767155	-0.0166776427	 0.128435
+H	-0.3257724236	-0.8328836663	-0.9835268056	 0.127215
+H	 3.0652626111	 0.9443108828	-2.4833870103	 0.118679
+H	 3.6259617573	 1.3998016489	-0.8333125905	 0.087952
+H	 2.2923145762	-2.0255065093	-0.0435457172	 0.082886
+H	 4.0973366252	-0.2407384383	 1.5360001988	 0.094447
+H	 1.2956165221	-1.3420268059	 2.3619277731	 0.108493
+H	 2.3090135556	-0.220384179	 3.373614375	 0.119261
+H	 1.8879281419	 1.6558100722	 1.6856834372	 0.090857
+19
+0 2478	2.6325189	1.7741039	1.3821549	1.9258	73.14	-0.24458	0.07518	0.31976	987.2912	0.158341	-422.544066	-422.536623	-422.535679	-422.57552	30.24
+O	 0.5365948362	 0.2120356167	 0.5861121733	-0.496448
+C	-0.6288209207	 0.7303275583	 1.1599936428	 0.428788
+C	-0.6085075846	 2.2580763713	 1.1531221416	-0.264318
+C	-1.5118936663	 2.6888597948	 2.3219102527	-0.217991
+C	-1.2472061369	 1.6279743286	 3.4113903638	-0.225999
+C	-1.0403598834	 0.3096415786	 2.6541273585	-0.125616
+C	-2.299963451	-0.3144734763	 2.0516066872	 0.040468
+O	-1.8695544202	-1.2881416688	 1.0847584048	-0.268716
+C	-1.9442168581	 0.0898653459	 0.6829199629	-0.058102
+H	 0.4124248633	-0.7447504993	 0.5437359893	 0.286002
+H	 0.4270099685	 2.5690895768	 1.3308611041	 0.114802
+H	-0.9147830338	 2.6758983891	 0.1891302645	 0.099754
+H	-1.2989086018	 3.7051722893	 2.6636318042	 0.101101
+H	-2.5645471944	 2.6686248371	 2.0176646221	 0.102952
+H	-0.3268349052	 1.8745528615	 3.9525328107	 0.107183
+H	-2.0493494524	 1.5734989213	 4.1551174081	 0.096174
+H	-0.3861607277	-0.4011887015	 3.1635641372	 0.076447
+H	-3.2778774795	-0.4625035488	 2.4960667371	 0.103569
+H	-2.557788562	 0.3209411354	-0.1818081249	 0.099951
+19
+0 2479	2.6020253	1.8218665	1.3900438	2.0431	73.6	-0.23545	0.07032	0.30577	982.7328	0.158527	-422.540913	-422.533398	-422.532454	-422.572376	30.382
+O	 0.6159223172	 0.2348027882	 0.6135322042	-0.488916
+C	-0.5221482554	 0.9713008285	 0.9904316751	 0.385759
+C	-0.9916908514	 1.80341209	-0.2076828954	-0.272873
+C	-1.5741954817	 3.0736414172	 0.4196272294	-0.094046
+O	-0.7993567194	 3.3071005144	 1.595004349	-0.262014
+C	-0.4676653894	 2.0564556736	 2.1523549512	 0.046733
+C	-1.6176114751	 1.3144258903	 2.8473206998	-0.067026
+C	-1.1808122972	-0.0869134716	 3.148950953	-0.320695
+C	-1.6338600639	 0.24443935	 1.7494581033	-0.115173
+H	 0.7794350872	-0.4293014391	 1.290814112	 0.278998
+H	-0.108069851	 2.038624781	-0.8073820477	 0.12143
+H	-1.7072024126	 1.2716333779	-0.8402762191	 0.102325
+H	-1.4848806766	 3.9569415732	-0.217363992	 0.11176
+H	-2.6359987422	 2.9400245387	 0.6748950508	 0.09432
+H	 0.4567624041	 2.1718220338	 2.7254734808	 0.07858
+H	-2.4542796099	 1.7902415274	 3.3430352694	 0.095667
+H	-0.1347500832	-0.2957590741	 3.3721797153	 0.09967
+H	-1.8726415743	-0.6889913643	 3.728522536	 0.119994
+H	-2.4782835053	-0.2604636352	 1.2931026649	 0.085508
+19
+0 2480	2.6335782	1.7890249	1.3814598	2.151	73.85	-0.24893	0.07085	0.31978	986.3168	0.158542	-422.539028	-422.531509	-422.530565	-422.570523	30.269
+O	 0.4038727593	 0.2179735384	 0.3877627476	-0.485912
+C	-0.9393026557	 0.6238839049	 0.4605445175	 0.378637
+C	-1.045751886	 2.0445029833	-0.1154149166	-0.119991
+O	-2.3386253469	 2.1699049433	-0.6785400638	-0.249494
+C	-2.6388856122	 0.9123215659	-1.274421176	-0.106594
+C	-2.099291073	-0.1455675488	-0.3154583108	-0.117132
+C	-2.8414145042	-0.2675203863	 1.0165827956	-0.017564
+C	-2.0076325603	-1.0402883177	 1.9920974565	-0.328125
+C	-1.697094957	 0.4193345366	 1.7669572404	-0.102659
+H	 0.5148263599	-0.5465055374	 0.9619871627	 0.281188
+H	-0.9253958151	 2.8300046883	 0.6356610389	 0.106577
+H	-0.2571784658	 2.1573880916	-0.8761373416	 0.098769
+H	-3.7215643816	 0.8685488761	-1.4265328915	 0.105543
+H	-2.1458414463	 0.817735928	-2.2558462394	 0.091314
+H	-1.8397198667	-1.0855719916	-0.8100312223	 0.070127
+H	-3.9050454299	-0.1148448562	 1.1531050834	 0.091095
+H	-2.4730470267	-1.2624193324	 2.9468882887	 0.118048
+H	-1.340134159	-1.8255616024	 1.6395636226	 0.098176
+H	-1.7460560929	 1.1400779761	 2.5754875981	 0.087997
+19
+0 2481	3.0216949	1.3308409	1.103269	3.1576	77.36	-0.23682	-0.02264	0.21418	1143.0985	0.156656	-422.559115	-422.550549	-422.549605	-422.592017	32.022
+C	 1.845618822	 1.4588627224	-2.6232634408	-0.494019
+C	 0.6355302543	 0.589638516	-2.3818179232	 0.271553
+C	-0.6364729454	 0.8747462616	-3.1824457253	-0.292543
+C	-1.39009448	-0.473130235	-3.1835543691	-0.09808
+O	-0.4158666003	-1.488118076	-2.9063218438	-0.253921
+C	 0.6508682303	-0.8839878457	-2.253471525	 0.10122
+C	 0.3492092625	-0.0361746775	-0.9910652383	-0.228724
+C	 1.3668471009	-0.0643316701	 0.0726057551	 0.129355
+O	 2.5645907217	-0.1518513248	-0.1022026051	-0.284496
+H	 2.7054023905	 1.1075642564	-2.052041495	 0.163633
+H	 2.102917158	 1.4525797627	-3.6885072587	 0.116539
+H	 1.6450855801	 2.4967218094	-2.3347760027	 0.11719
+H	-1.2439967026	 1.684796594	-2.7686201325	 0.111619
+H	-0.3429376338	 1.163288271	-4.1975123554	 0.115554
+H	-2.1710192268	-0.4937860562	-2.4123225343	 0.107768
+H	-1.8582714173	-0.712007036	-4.1416786355	 0.11805
+H	 1.5530142905	-1.4836225736	-2.2343429816	 0.130505
+H	-0.6776491037	-0.0123605499	-0.6405890556	 0.090813
+H	 0.952249319	-0.0311328486	 1.1045576366	 0.077983
+19
+0 2482	3.0594179	1.3139794	1.1012795	1.28	77.01	-0.25104	-0.02731	0.22372999999999998	1141.4201	0.156805	-422.564333	-422.555813	-422.554868	-422.597202	31.758
+C	 1.4148855586	 0.5680767258	-2.8101382052	-0.502059
+C	 0.5844499038	-0.5451268664	-2.224103597	 0.293926
+C	-0.7169959246	-0.9268923558	-2.9238367192	-0.133883
+O	-1.0592588007	-2.2263615379	-2.4586767882	-0.254359
+C	 0.1500713072	-2.9163690267	-2.1492452201	-0.110826
+C	 1.1139233009	-1.8373782554	-1.6986685095	-0.099419
+C	 0.5314336432	-0.8333071322	-0.7078877041	-0.163296
+C	 1.4627195506	-0.1486099531	 0.213069249	 0.123893
+O	 2.6434558365	 0.031210179	 0.0085028387	-0.275081
+H	 2.3362148178	 0.7143877116	-2.2451800072	 0.162457
+H	 1.6782646033	 0.3350341164	-3.8480388428	 0.119555
+H	 0.8605403779	 1.5134340463	-2.8133004712	 0.119803
+H	-1.5599507872	-0.2635742972	-2.7034050983	 0.112129
+H	-0.5477663707	-0.9218861496	-4.0139301466	 0.095416
+H	-0.0866703353	-3.6648294802	-1.3864248709	 0.115238
+H	 0.554229109	-3.4357226062	-3.0335166116	 0.099234
+H	 2.1787724608	-2.0268434168	-1.6336317106	 0.115013
+H	-0.4515866589	-1.0491825452	-0.2998017504	 0.102147
+H	 0.9963681481	 0.2070695636	 1.1583852352	 0.080111
+19
+0 2483	3.0539514	1.3291848	1.1136593	2.6592	77.79	-0.23598	-0.02259	0.21339	1139.3315	0.156551	-422.563724	-422.555161	-422.554217	-422.596606	32.086
+C	-1.0613750102	 0.8387412145	 0.1681000864	-0.481982
+C	-0.5657060973	 0.3982126594	-1.1772061696	 0.447201
+O	-1.2684289464	 0.9909112638	-2.2331314713	-0.287222
+C	-1.1089289637	 0.1968351459	-3.4138300933	-0.096278
+C	-0.7096216571	-1.2203410935	-2.9459744921	-0.258486
+C	-0.1198520283	-0.9573682993	-1.5728526131	-0.114004
+C	 0.950139109	 0.1369098335	-1.474848405	-0.208296
+C	 1.9130269441	 0.0665859374	-0.3640314389	 0.124475
+O	 1.7523824149	-0.567370942	 0.6582022937	-0.281839
+H	-0.468114857	 0.3850342047	 0.962185503	 0.159669
+H	-1.0066425485	 1.9278872159	 0.2578351757	 0.128984
+H	-2.1076493881	 0.5411794355	 0.2897048014	 0.12598
+H	-2.0514671909	 0.2262649482	-3.9666512814	 0.116573
+H	-0.3307618698	 0.6354942011	-4.0523170306	 0.106528
+H	-1.5874068348	-1.866673295	-2.8425971102	 0.117309
+H	-0.0191705711	-1.7008535145	-3.6447838294	 0.113081
+H	-0.0361615886	-1.7504346171	-0.8387661473	 0.118588
+H	 1.3284237628	 0.5829213518	-2.3888331913	 0.092541
+H	 2.840120151	 0.6620839397	-0.5166536068	 0.077178
+19
+0 2484	2.7541028	1.2280345	1.0360268	3.3253	77.27	-0.24006	-0.01468	0.22538	1211.4449	0.157085	-422.573234	-422.564743	-422.563799	-422.606227	32.327
+O	 0.4956555109	 2.1413944613	-1.9006023635	-0.466334
+C	-0.2875697144	 1.0322469877	-1.590577375	 0.398534
+C	-1.3567757467	 0.5941888371	-2.5848232645	-0.279381
+C	-2.3744311304	-0.20954634	-1.7433426289	-0.227846
+C	-2.2612469605	 0.3659009526	-0.3076741844	-0.224188
+C	-0.8353039871	 0.8847811747	-0.2178231508	-0.100851
+C	 0.2811028835	-0.0691770752	-0.6828384269	-0.191389
+C	 1.6200962029	 0.1233509334	-0.0869883256	 0.145917
+O	 2.4105846264	-0.7702671303	 0.1070059564	-0.280295
+H	 1.0879835082	 1.9032439621	-2.6227720886	 0.289031
+H	-1.8103716168	 1.5059770127	-2.9910764601	 0.114513
+H	-0.9588099622	 0.019228908	-3.4280942785	 0.100031
+H	-3.3893614007	-0.1375006767	-2.1410397756	 0.105857
+H	-2.1117723438	-1.2715846225	-1.7450994	 0.115018
+H	-2.9501649134	 1.2081532566	-0.1731987526	 0.110251
+H	-2.5027769425	-0.3769163488	 0.4588303627	 0.108885
+H	-0.5647212812	 1.5974812295	 0.5540547035	 0.103136
+H	 0.0391599105	-1.1050987013	-0.8976531681	 0.098511
+H	 1.8632488473	 1.1747188993	 0.1804498204	 0.080601
+19
+0 2485	2.2385934	2.0089559	1.4878251	1.5957	74.82	-0.24873	0.01064	0.25937	972.5521	0.158316	-422.579531	-422.571773	-422.570829	-422.611762	30.177
+C	-0.1448746774	-0.0825209292	-0.0973148998	-0.450362
+C	 1.362043022	 0.0793150783	 0.0388325327	 0.375952
+C	 1.9587928109	-0.6215775588	 1.2924926478	-0.304954
+C	 2.8461837603	 0.4214650068	 1.9211152125	-0.069125
+C	 2.7863720342	 1.5973467534	 1.2982757028	-0.101017
+C	 1.8615516194	 1.5657296362	 0.1092913773	 0.003062
+O	 2.5144739692	 1.785833098	-1.1436397156	-0.253174
+C	 2.9627092728	 0.5163185133	-1.5481620029	 0.006083
+O	 1.9664804024	-0.4055349569	-1.1698882653	-0.290566
+H	-0.6575129573	 0.2890036132	 0.795698064	 0.114948
+H	-0.5075721784	 0.4704374379	-0.9683349944	 0.126487
+H	-0.4050520432	-1.1374610963	-0.227766838	 0.125803
+H	 1.1711369693	-0.9472389975	 1.9840117303	 0.107146
+H	 2.5062897703	-1.5232512478	 0.9968757481	 0.120832
+H	 3.4472240091	 0.2138774666	 2.8007817471	 0.100483
+H	 3.3320810587	 2.4923327297	 1.5738138788	 0.101998
+H	 1.0536116066	 2.3013922183	 0.1691693094	 0.087007
+H	 3.0692862045	 0.5069679344	-2.6368228637	 0.116383
+H	 3.9265037764	 0.2672353901	-1.0701425611	 0.083016
+19
+0 2486	2.2169777	1.9391536	1.457371	2.6399	74.66	-0.24467	0.01684	0.26151	981.8873	0.158582	-422.578916	-422.571148	-422.570204	-422.611135	30.632
+O	 0.4196398667	 0.58945871	-0.1048600026	-0.481789
+C	-0.5351037354	 0.9752682383	 0.8761203347	 0.371487
+C	-1.090911068	-0.2285957649	 1.6750868853	-0.291267
+C	-2.5960338641	 0.0548807556	 1.7312748375	-0.088628
+O	-2.8953225726	 0.6389403039	 0.4707398657	-0.260702
+C	-1.8092716625	 1.5102930415	 0.1423287019	 0.045363
+C	-1.9929692539	 2.9077210303	 0.6744564551	-0.090921
+C	-1.0457694658	 3.2486839303	 1.5454793948	-0.066232
+C	-0.0262100386	 2.1582994477	 1.7539422856	-0.32461
+H	 1.1884326723	 0.2329569932	 0.3524753599	 0.276073
+H	-0.9085703347	-1.1327736805	 1.0869885017	 0.112215
+H	-0.6356027125	-0.3494677719	 2.6617635473	 0.092689
+H	-3.2114373643	-0.8418932988	 1.8396868371	 0.110044
+H	-2.8391879476	 0.7426755261	 2.556785461	 0.092047
+H	-1.6902142496	 1.474554499	-0.9446864363	 0.096394
+H	-2.8258822241	 3.5289083022	 0.3657043117	 0.099672
+H	-0.9799620652	 4.2041165396	 2.0563498148	 0.097228
+H	 0.9670300576	 2.4666806996	 1.4040090454	 0.110712
+H	 0.0798999924	 1.892198709	 2.8131944095	 0.100226
+19
+0 2487	2.2521143	1.8878484	1.4453244	1.1799	75.07	-0.23976	0.02308	0.26284	987.2231	0.158618	-422.576584	-422.568781	-422.567837	-422.608952	30.522
+O	-0.0174791193	 0.2387555276	-0.0668706218	-0.479689
+C	-0.6350444496	 1.0220106334	 0.9452697283	 0.364412
+C	-1.1542309006	 0.1632485141	 2.1213912442	-0.14207
+O	-2.3526641053	 0.7824645424	 2.5496293639	-0.243981
+C	-3.0418654914	 1.1369441773	 1.3559406592	-0.098374
+C	-1.9534746068	 1.6448509961	 0.378924163	-0.093215
+C	-1.7116095754	 3.1291116374	 0.4225046244	-0.076174
+C	-0.5369685011	 3.4452620585	 0.9621238628	-0.058989
+C	 0.2482051615	 2.2305237292	 1.3808479755	-0.320228
+H	 0.8137212291	-0.1001881432	 0.2823006765	 0.276872
+H	-1.3400496227	-0.8568123681	 1.7455134604	 0.087448
+H	-0.4763516178	 0.1110313094	 2.9783134013	 0.098886
+H	-3.5568185668	 0.2574466648	 0.9374515731	 0.089371
+H	-3.7902775121	 1.8911105328	 1.6120535422	 0.106856
+H	-2.1379430909	 1.2806385601	-0.636409167	 0.093916
+H	-2.4430488153	 3.8413804205	 0.0551639924	 0.092081
+H	-0.1633943812	 4.4539090301	 1.1026092523	 0.093999
+H	 1.2247177092	 2.1797230493	 0.88152836	 0.100973
+H	 0.4426222864	 2.2314428982	 2.4608815493	 0.107905
+19
+0 2488	2.3352801	1.6746553	1.4405394	4.135	74.03	-0.26376	0.01529	0.27905	1022.0736	0.158348	-422.614564	-422.606522	-422.605578	-422.646868	30.829
+C	-0.8921148678	 1.946744738	 1.2509132408	-0.480421
+C	-1.0204917634	 1.0867746008	 0.0037039287	 0.107026
+C	-1.2261793369	 1.8559388997	-1.3193739588	-0.258984
+C	-1.9251783725	 0.8579250693	-2.2652538135	-0.230235
+C	-2.837754141	 0.0362800173	-1.3304141576	-0.226479
+C	-2.0324871074	-0.0942599032	-0.046837356	 0.099921
+O	-0.9139463689	-1.044656161	-0.1910730492	-0.272079
+C	 0.0155126162	-0.0386259728	-0.1259735683	 0.44068
+O	 1.2006303172	-0.1396071481	-0.1648674079	-0.341081
+H	-0.7997246207	 1.3374704744	 2.155314427	 0.128866
+H	-0.0019734244	 2.5800637148	 1.1853001337	 0.140997
+H	-1.7641524295	 2.5992247207	 1.3645948364	 0.120362
+H	-1.8789804146	 2.7154622747	-1.1229750433	 0.102565
+H	-0.2851998449	 2.2438555523	-1.7189080887	 0.12146
+H	-2.4763603775	 1.3527626999	-3.0681394053	 0.103684
+H	-1.1866844915	 0.2009923033	-2.7359307588	 0.126673
+H	-3.7569655536	 0.5919863697	-1.1069587981	 0.106508
+H	-3.1281795599	-0.9357418153	-1.7376441158	 0.119361
+H	-2.6011336891	-0.3328618648	 0.8530959948	 0.091175
+19
+0 2489	2.352379	1.6257061	1.4199663	1.629	74.6	-0.23644	-0.02589	0.21055000000000001	1027.4044	0.15671	-422.576118	-422.567726	-422.566782	-422.609152	31.679
+C	-0.8545156679	 1.9630882574	 1.2396412773	-0.477066
+C	-1.0307994867	 1.1003213288	-0.0032660812	 0.182223
+C	-1.2319486817	 1.8803210608	-1.3174956603	-0.274264
+C	-2.09131616	 0.9280988976	-2.1624303549	-0.10293
+O	-2.9157148845	 0.2243201275	-1.2355052862	-0.255271
+C	-2.1759605889	 0.0219984575	-0.0493408325	 0.062261
+C	-1.1235165014	-1.1313249842	-0.096763976	-0.38197
+C	-0.0190562584	-0.0645237229	-0.1228223746	 0.366482
+O	 1.1761143735	-0.0979685399	-0.1911367815	-0.306121
+H	-0.8000091464	 1.3552678208	 2.1488859147	 0.120029
+H	 0.0718451221	 2.5426247542	 1.1754334877	 0.137979
+H	-1.6908709473	 2.6616942379	 1.3486203789	 0.123006
+H	-1.7784769851	 2.8056798937	-1.1069892823	 0.110136
+H	-0.2873583476	 2.1420524452	-1.8011686227	 0.122237
+H	-2.7491919839	 1.4379735656	-2.8703754556	 0.115826
+H	-1.4582148158	 0.2290918926	-2.7314721565	 0.100573
+H	-2.8769658676	-0.0178984423	 0.7860458553	 0.085523
+H	-1.0892309668	-1.7567590591	 0.8009790061	 0.133747
+H	-1.1758273657	-1.7845552814	-0.9724732256	 0.137599
+19
+0 2490	2.4170128	1.6118923	1.3882423	2.9528	74.87	-0.23638	-0.02205	0.21433000000000002	1032.5048	0.156908	-422.575131	-422.566759	-422.565815	-422.608272	31.442
+C	-1.010557528	 2.0357703323	 1.1696485815	-0.476929
+C	-1.0101174632	 1.020929626	 0.0361953407	 0.174493
+C	-1.1172199941	 1.6480772921	-1.3748095993	-0.131007
+O	-1.775870018	 0.6960325499	-2.1949575347	-0.251022
+C	-2.7637305671	 0.0767405827	-1.3778452529	-0.098972
+C	-2.0799135868	-0.1390645524	-0.0290871403	-0.0861
+C	-0.943501353	-1.2077028373	-0.0301048094	-0.362156
+C	 0.074140572	-0.0708019554	 0.1225218896	 0.385427
+O	 1.2560737109	-0.0260301762	 0.3093852633	-0.30506
+H	-0.9996488104	 1.5449486297	 2.1475715876	 0.123677
+H	-0.1214638505	 2.6723324207	 1.112735569	 0.139464
+H	-1.8952642835	 2.6797169201	 1.1209656367	 0.11925
+H	-1.7026884296	 2.5807855859	-1.3089128066	 0.090686
+H	-0.1484829528	 1.8756426268	-1.8275158711	 0.126993
+H	-3.6443359234	 0.7310204017	-1.2663953345	 0.090894
+H	-3.0763311122	-0.8455933379	-1.8752713887	 0.113587
+H	-2.7717299579	-0.2052726332	 0.811061235	 0.079097
+H	-0.9448218151	-1.9242065209	 0.7960429145	 0.12975
+H	-0.8351282573	-1.7579721643	-0.9706264405	 0.137928
+19
+0 2491	2.2956056	1.6758035	1.4569756	3.3392	74.83	-0.22572	-0.02906	0.19666	1020.9323	0.156566	-422.57615	-422.567726	-422.566782	-422.60939	31.746
+C	-1.0727599768	 1.9956666804	 1.2678860741	-0.46509
+C	-1.1366544402	 1.0949510382	 0.0535207283	 0.313667
+O	-1.350787711	 1.8761849264	-1.1078471324	-0.282423
+C	-1.9440462498	 1.0410372128	-2.0986859029	-0.100613
+C	-2.8820781792	 0.0961671648	-1.3261427545	-0.230912
+C	-2.1364050515	-0.1240955907	-0.0025063302	-0.091073
+C	-0.9508859724	-1.1343852	-0.0358377448	-0.369268
+C	 0.0266464859	 0.0537676331	-0.0789880177	 0.357088
+O	 1.2120033425	 0.1546211481	-0.1964247103	-0.295827
+H	-0.927285495	 1.4130409036	 2.1825447227	 0.118479
+H	-0.2359515172	 2.6929268543	 1.1697981169	 0.145216
+H	-1.9992107805	 2.5706277313	 1.3590371865	 0.125328
+H	-2.4573033534	 1.6876342645	-2.8142342553	 0.115329
+H	-1.1713036794	 0.4756681849	-2.6426671378	 0.102491
+H	-3.8379972003	 0.5941751775	-1.1380541607	 0.111371
+H	-3.0847843827	-0.8315161156	-1.8685834865	 0.105732
+H	-2.8031329889	-0.2356184669	 0.8524628277	 0.078802
+H	-0.8394959866	-1.744873749	 0.8656254943	 0.133695
+H	-0.8964021937	-1.7986391578	-0.9046474672	 0.128008
+19
+0 2492	2.593004	1.5596831	1.3033961	2.3908	74.94	-0.24448	-0.02717	0.21731	1048.5198	0.157304	-422.585646	-422.57734	-422.576396	-422.61842	31.926
+O	-1.0932198114	 1.9906239761	 1.0920996602	-0.483491
+C	-1.0695189108	 1.0601596642	 0.045033325	 0.330793
+C	-1.1872863296	 1.7812952028	-1.3196865475	-0.267874
+C	-2.0387014523	 0.8892903453	-2.2393390968	-0.219987
+C	-2.9880589215	 0.1441052854	-1.2780451799	-0.22422
+C	-2.1255112387	-0.12961267	-0.0454958225	-0.064705
+C	-0.9508809296	-1.1487057622	-0.2308004701	-0.366313
+C	-0.0027449289	-0.027686264	 0.1988270578	 0.325035
+O	 1.0503912689	-0.0021971202	 0.7772411606	-0.317746
+H	-0.3943916217	 1.7467812212	 1.7118500938	 0.292655
+H	-1.7112028653	 2.7177158205	-1.1000848413	 0.124384
+H	-0.2142965749	 2.0470371406	-1.7419363509	 0.111005
+H	-2.5746407283	 1.4679154944	-2.996278889	 0.104404
+H	-1.4071820969	 0.1761304174	-2.7808413962	 0.103965
+H	-3.8260433996	 0.7942658319	-1.0002737962	 0.107729
+H	-3.411382728	-0.7653967092	-1.716166616	 0.100136
+H	-2.6793607049	-0.2954983596	 0.8788348455	 0.083614
+H	-0.9350982032	-2.0267142261	 0.4187785755	 0.131588
+H	-0.8072401035	-1.4766825185	-1.264605532	 0.129026
+19
+0 2493	2.2311767	2.0012084	1.4923555	1.5791	75.25	-0.24882	0.0119	0.26072	974.5594	0.158264	-422.580017	-422.5722	-422.571256	-422.612277	30.268
+C	-0.0791063389	-0.1425944748	 0.0040867764	-0.45402
+C	 1.4307828083	 0.0432440871	-0.0449550007	 0.347808
+O	 1.702964291	 1.440346011	 0.1546861237	-0.28122
+C	 2.8717043017	 1.7103927548	-0.5711251009	 0.007003
+O	 2.8096325569	 0.9330440569	-1.7493347417	-0.262565
+C	 2.1172720713	-0.268652122	-1.4210295685	 0.041537
+C	 3.0641802692	-1.468274384	-1.1796970136	-0.283416
+C	 3.0703556421	-1.629546326	 0.3209126225	-0.07717
+C	 2.1928557517	-0.8322478983	 0.9260699128	-0.121196
+H	-0.4639776998	 0.1223126378	 0.9934584642	 0.125987
+H	-0.5627530805	 0.5012650176	-0.7359358906	 0.127324
+H	-0.3460097065	-1.1840008612	-0.1987104036	 0.119485
+H	 2.8881306203	 2.7703829339	-0.8411893779	 0.115789
+H	 3.7719087629	 1.4541717426	 0.0146770631	 0.083377
+H	 1.4006546181	-0.4599340164	-2.2241519042	 0.083078
+H	 2.6979046174	-2.3755171912	-1.6777877555	 0.109182
+H	 4.0558754571	-1.261648141	-1.5962724859	 0.120837
+H	 3.7157092925	-2.3418901739	 0.8247550754	 0.099633
+H	 2.0110124351	-0.7768689128	 1.993594535	 0.098546
+19
+0 2494	2.2080815	1.9504582	1.4413686	1.9479	75.3	-0.23799	0.00799	0.24598	985.9069	0.158544	-422.58145	-422.573635	-422.572691	-422.613835	30.665
+O	 0.4888377583	 0.51445047	 0.0959794808	-0.482684
+C	-0.5577141304	 0.9636254984	 0.951060763	 0.359472
+C	-1.1301081059	-0.2573764807	 1.6881777903	-0.264799
+C	-2.6042327945	 0.1085940213	 1.8443633249	-0.088199
+O	-2.9445175986	 0.8082083611	 0.6494274482	-0.264788
+C	-1.8120217667	 1.55228907	 0.209008736	 0.05761
+C	-1.895777867	 3.0491607003	 0.6035389611	-0.288213
+C	-0.8207556672	 3.2131426131	 1.6487554934	-0.070055
+C	-0.1158695016	 2.0985438338	 1.8423406551	-0.161172
+H	 0.9442727459	 1.2938350396	-0.2404050909	 0.273277
+H	-1.0129546671	-1.1304445459	 1.0394668915	 0.11935
+H	-0.627697797	-0.4565146896	 2.6379430856	 0.101229
+H	-3.2673894832	-0.7568988428	 1.9248624503	 0.10936
+H	-2.7623891395	 0.7449516516	 2.7294671967	 0.091442
+H	-1.7276990591	 1.4132829149	-0.8726288659	 0.082043
+H	-1.7335891958	 3.720410046	-0.2498408618	 0.105217
+H	-2.8978131578	 3.2713057341	 0.986966485	 0.122994
+H	-0.6551768115	 4.1503872543	 2.17096163	 0.099732
+H	 0.7063557787	 1.9781874604	 2.5400728567	 0.098183
+19
+0 2495	2.2393284	1.9036931	1.4242361	2.279	75.41	-0.24314	0.01099	0.25412999999999997	991.8452	0.158963	-422.579138	-422.571441	-422.570497	-422.611256	30.357
+O	 0.1879938093	 0.1813455016	 0.6201798823	-0.48133
+C	-0.6041321812	 1.3391619865	 0.856924398	 0.36224
+C	-2.0110426937	 1.0501963754	 0.2802071926	-0.117461
+O	-2.9352045139	 1.6230321964	 1.1863301827	-0.247587
+C	-2.4056355879	 1.372581051	 2.4829938358	-0.100751
+C	-0.9012030585	 1.6583413578	 2.3694041846	-0.080323
+C	-0.4904994992	 3.1387221908	 2.586005486	-0.279874
+C	 0.1123669687	 3.5565914761	 1.2685660101	-0.059518
+C	 0.0380338036	 2.6021002376	 0.3440167087	-0.161915
+H	 1.0997294246	 0.4059302387	 0.8347357489	 0.273868
+H	-2.1816289696	 1.4906589654	-0.7049488761	 0.106873
+H	-2.1339253162	-0.0423452801	 0.2130579255	 0.098186
+H	-2.9338194895	 2.0170172118	 3.1909620429	 0.10502
+H	-2.5783338132	 0.3228448114	 2.7715097751	 0.090682
+H	-0.3204151	 0.988212321	 3.007069487	 0.076084
+H	-1.3597128113	 3.7635153924	 2.8287683295	 0.115741
+H	 0.2133481291	 3.2639188731	 3.4182610721	 0.103683
+H	 0.5295499295	 4.5460082487	 1.1113127581	 0.098855
+H	 0.3807406993	 2.6789487144	-0.6826868638	 0.097524
+19
+0 2496	2.7282005	1.9286179	1.3358283	2.0948	74.17	-0.23612	0.07107	0.30718999999999996	979.3829	0.158007	-422.500538	-422.493215	-422.492271	-422.531761	29.743
+C	 0.3264418651	 0.9944874862	 0.9984770556	-0.486822
+C	 1.6840114771	 0.5184471804	 0.5111353678	 0.339233
+C	 2.1097624824	-0.8395907671	 1.085049099	-0.308483
+C	 3.624282898	-1.0115771044	 0.9758236637	-0.075593
+O	 4.1151003871	-0.5522108386	-0.2791908165	-0.265583
+C	 3.5231358222	 0.6453617466	-0.6747582198	 0.123936
+C	 2.8171702862	 1.5958331763	 0.3465165196	-0.056491
+O	 2.0937075775	 2.175648487	-0.7972358659	-0.310417
+C	 2.003457032	 0.7171594957	-1.0033340221	-0.023065
+H	 0.3322119294	 1.1398021355	 2.084745805	 0.112304
+H	 0.0541401319	 1.9370056791	 0.5206229131	 0.140398
+H	-0.4472140866	 0.2513870706	 0.7732274636	 0.114284
+H	 1.8132452957	-0.9207693049	 2.1373131031	 0.103667
+H	 1.5842678052	-1.6377781882	 0.5455847641	 0.108674
+H	 4.1139994387	-0.4429432161	 1.7821922711	 0.096469
+H	 3.9316008769	-2.0562801472	 1.0689269511	 0.111579
+H	 4.1633238183	 1.1465777036	-1.4008297167	 0.100487
+H	 3.2334841646	 2.2940249765	 1.0747254284	 0.08871
+H	 1.4550523584	 0.3597163289	-1.8766176341	 0.086713
+19
+0 2497	2.7268647	1.9191136	1.3283386	0.9968	74.49	-0.23823	0.07395	0.31218	981.8677	0.157993	-422.496262	-422.488885	-422.487941	-422.527587	29.658
+C	 0.0838949519	-0.2056035055	-0.0528379728	-0.488308
+C	 1.5789386037	 0.036740637	 0.0567701495	 0.312656
+C	 2.309924866	-1.0945571857	 0.7861118319	-0.157911
+O	 3.5498794594	-0.6906292155	 1.332966109	-0.244734
+C	 4.3137223335	 0.088674927	 0.4314893979	-0.12137
+C	 3.4475682314	 1.1181327579	-0.2765689447	-0.032561
+C	 2.0796279534	 1.4906003822	 0.3622401417	 0.006422
+O	 1.6095506377	 1.9211901765	-0.9722233758	-0.317502
+C	 2.2975938656	 0.6331875852	-1.1943429155	-0.000949
+H	-0.3786519884	-0.2513713599	 0.9394164738	 0.116504
+H	-0.3898852465	 0.5941502103	-0.6236980593	 0.143747
+H	-0.1195941702	-1.1598717182	-0.5529322138	 0.114898
+H	 1.7113583231	-1.4476399401	 1.6322003119	 0.110976
+H	 2.4395226552	-1.9490662098	 0.0971488545	 0.088399
+H	 5.0865996778	 0.57755995	 1.0331094743	 0.114629
+H	 4.8261945655	-0.5495893886	-0.3102337669	 0.090324
+H	 3.9997951187	 1.9674108216	-0.6826590239	 0.086147
+H	 1.8575060085	 2.1414629199	 1.2087458553	 0.092396
+H	 2.3380813937	 0.2516635056	-2.2166166172	 0.086238
+19
+0 2498	2.6732998	2.0055668	1.3588366	1.8766	74.54	-0.23286	0.07233	0.30519	971.7696	0.15783	-422.502537	-422.495179	-422.494235	-422.533784	29.857
+C	 0.155410914	-0.2317813071	-0.0343698611	-0.466756
+C	 1.5386985221	 0.2590330762	 0.3313368376	 0.434583
+O	 2.3075576384	-0.8523351104	 0.7247802779	-0.313847
+C	 3.4076121271	-0.5383933463	 1.5664003728	-0.074598
+C	 4.1732319071	 0.6823530485	 1.0564664035	-0.265746
+C	 3.1557416362	 1.7161238053	 0.5866673006	-0.015351
+C	 1.6904850537	 1.6202063806	 1.1133133783	-0.042609
+O	 1.2376713433	 2.3204409364	-0.0999153066	-0.30966
+C	 2.2185959681	 1.3302050386	-0.5866749543	-0.006737
+H	-0.3259539436	-0.6835668361	 0.8382408834	 0.118998
+H	-0.4558026238	 0.5925119586	-0.401247	 0.140127
+H	 0.2299367111	-1.002670763	-0.8074821317	 0.12363
+H	 3.0400874987	-0.3340971896	 2.5849282632	 0.094787
+H	 4.030326075	-1.4357896412	 1.6099885492	 0.109674
+H	 4.8026660029	 1.0836914268	 1.8583093786	 0.105525
+H	 4.8384860513	 0.4139983993	 0.2268445313	 0.109618
+H	 3.5250466046	 2.7410316541	 0.5191002025	 0.082769
+H	 1.2611504426	 1.9454262822	 2.0625456546	 0.088633
+H	 2.4264268213	 1.304112997	-1.6577633898	 0.086962
+19
+0 2499	2.6812348	2.0716375	1.4014117	1.5273	74.26	-0.24639	0.09719	0.34358	951.9332	0.158778	-422.517813	-422.510663	-422.509719	-422.548866	29.263
+C	 0.0211444599	 0.1726897237	 0.2677810723	-0.473969
+C	 1.4043342057	-0.386128458	 0.0007512193	 0.465955
+O	 2.1698466082	-0.0927623925	 1.1664427332	-0.316655
+C	 3.2622412607	-0.9550251371	 1.319128729	 0.009633
+O	 3.9729170824	-1.1134570331	 0.1160551658	-0.272033
+C	 3.0776260974	-1.303770349	-0.9481544763	 0.150838
+C	 2.1492969869	-0.1162463989	-1.3504542398	-0.139425
+C	 1.2445147058	-1.1881007229	-2.0108867947	-0.260748
+C	 1.6242605813	-1.8103606131	-0.6427844828	-0.179903
+H	-0.4399686077	-0.3555618613	 1.1077900113	 0.124298
+H	 0.1072239046	 1.2269144747	 0.5474555768	 0.131947
+H	-0.6416350833	 0.0997108722	-0.5953616148	 0.119453
+H	 3.9384162457	-0.515315755	 2.0558774386	 0.117675
+H	 2.9137705031	-1.9422364162	 1.6697101596	 0.083124
+H	 3.6162322402	-1.7996354941	-1.7583028409	 0.08449
+H	 2.4545065625	 0.850760052	-1.7513754274	 0.075071
+H	 0.1976841265	-0.9385289779	-2.1752510398	 0.104344
+H	 1.6659317739	-1.689361415	-2.8861956177	 0.098985
+H	 1.3135447461	-2.7824303485	-0.2568914018	 0.07692
+19
+0 2500	2.7190518	1.9145695	1.3282371	2.0054	73.85	-0.24551	0.06495	0.31046	978.6875	0.159071	-422.518065	-422.511042	-422.510098	-422.548976	29.394
+O	 0.2805165764	 0.428396584	 0.9261837723	-0.499511
+C	-1.0238245432	 0.8601563418	 0.7167324017	 0.484947
+C	-1.126236822	 2.3599593909	 0.9463581008	-0.284847
+C	-2.5765537452	 2.7624817118	 1.2469039887	-0.211003
+C	-3.5532878329	 2.013298401	 0.3267728474	-0.243671
+C	-3.1274698022	 0.5543353362	 0.1763546629	-0.001441
+C	-1.7749247657	 0.2358808257	-0.5022054804	-0.027626
+O	-1.7481947176	-1.0725981804	 0.2038206825	-0.344838
+C	-2.1773386495	-0.0837834793	 1.2268019029	-0.049321
+H	 0.2613798547	-0.520859221	 0.7325214659	 0.284399
+H	-0.4643546902	 2.6324984049	 1.7741254033	 0.115142
+H	-0.746000429	 2.8794794499	 0.0578449789	 0.106031
+H	-2.8042137794	 2.495218661	 2.2863594807	 0.104779
+H	-2.7086831049	 3.845867727	 1.1682744916	 0.097583
+H	-4.5710448808	 2.0710028704	 0.7274010483	 0.103047
+H	-3.5868441511	 2.479485553	-0.6668622723	 0.103004
+H	-3.9180999672	-0.1266961848	-0.1430217134	 0.085147
+H	-1.5078329046	 0.2389731557	-1.560913137	 0.088461
+H	-2.3862136655	-0.4691311879	 2.2260984953	 0.08972
+19
+0 2501	2.739148	1.9540199	1.362529	1.3229	74.41	-0.24113	0.0761	0.31723	961.5149	0.159105	-422.522335	-422.515154	-422.514209	-422.55336	29.64
+O	 0.497494271	 0.4053548174	-0.1115439411	-0.49149
+C	-0.7742659018	 0.8936562123	 0.2508159252	 0.466075
+C	-1.8652580103	-0.1670650528	 0.1000671859	-0.33099
+C	-3.2207630448	 0.5250309942	-0.0618854327	-0.072082
+O	-3.3283535156	 1.6456790523	 0.8022318734	-0.277318
+C	-2.1511625626	 2.4052355907	 0.8525411471	 0.154843
+C	-1.0912078536	 2.3232654188	-0.2965551936	-0.155488
+C	-0.0767965457	 2.8807183451	 0.7414925204	-0.252933
+C	-0.8787474157	 1.8044724146	 1.5225835837	-0.159065
+H	 0.6593297798	-0.4026737344	 0.3867764564	 0.277491
+H	-1.6572094308	-0.7856258808	-0.7795357217	 0.107378
+H	-1.8619997711	-0.8256843897	 0.9789742568	 0.097607
+H	-3.3331818286	 0.8556365783	-1.105960658	 0.096933
+H	-4.0585522501	-0.1377196868	 0.1708788315	 0.106801
+H	-2.4237974957	 3.4106962597	 1.1786941387	 0.084826
+H	-1.2025783359	 2.6219428668	-1.3399112384	 0.073874
+H	 0.9692290329	 2.6548001124	 0.5502905708	 0.12029
+H	-0.2257475567	 3.9180314735	 1.0536424858	 0.088255
+H	-0.7645227347	 1.4993399285	 2.5647308896	 0.064994
+19
+0 2502	2.7401434	1.9382031	1.3522614	1.726	74.66	-0.24013	0.07022	0.31035	966.2159	0.158836	-422.516867	-422.509554	-422.50861	-422.548119	29.625
+O	 0.07758533	 0.266362142	 0.5086177266	-0.484313
+C	-1.0206971227	 1.0661045836	 0.131567409	 0.421891
+C	-1.225925443	 2.2086965045	 1.1274850581	-0.16544
+O	-1.9108561147	 3.3073436392	 0.5611899854	-0.241499
+C	-2.9847468789	 2.9036870496	-0.2714786938	-0.116633
+C	-2.60768185	 1.706998261	-1.1298768773	-0.01481
+C	-2.2990410442	 0.3540500027	-0.4181979766	-0.134231
+C	-1.467545756	-0.037888253	-1.6713988317	-0.245543
+C	-1.0843530376	 1.4418299887	-1.3785955679	-0.095927
+H	-0.1205029642	-0.1358562538	 1.3612234234	 0.281328
+H	-1.7547979392	 1.8302018857	 2.023355646	 0.074023
+H	-0.248143903	 2.5810565202	 1.4474051324	 0.116766
+H	-3.8823479962	 2.6697674999	 0.3289602452	 0.084836
+H	-3.2232219692	 3.772304251	-0.8941255312	 0.109404
+H	-3.2438198101	 1.6149536682	-2.0147527428	 0.072084
+H	-3.0026439943	-0.2644465758	 0.1446573307	 0.062187
+H	-0.6847398839	-0.7800879215	-1.527077415	 0.112239
+H	-2.0383810898	-0.2108254263	-2.5877990819	 0.086682
+H	-0.383618383	 2.0746916742	-1.9238419486	 0.076956
+19
+0 2503	2.6992908	1.8917523	1.396336	2.5757	74.39	-0.22583	0.07921	0.30504	975.6371	0.158094	-422.513863	-422.506374	-422.50543	-422.545287	29.836
+C	 0.0496342503	-0.2404592851	 0.0195550785	-0.468077
+C	 1.5534839904	-0.0897967096	 0.1287620697	 0.246274
+C	 2.2595760164	-1.3477398994	 0.6164608395	-0.128246
+O	 3.6647331311	-1.2563174784	 0.7606056692	-0.241096
+C	 4.1448750172	-0.0605378696	 1.3367640027	-0.092727
+C	 3.5776420703	 1.1576860005	 0.6206159876	 0.073281
+O	 3.5849254962	 0.9444060822	-0.8228289596	-0.293308
+C	 2.16096277	 0.9187849524	-0.8257609898	 0.06596
+C	 2.043337105	 1.2471275355	 0.6418985999	-0.200446
+H	-0.3922339157	-0.5051595078	 0.9871840434	 0.121949
+H	-0.4185352518	 0.6919539547	-0.312371222	 0.120235
+H	-0.2190669028	-1.0238408594	-0.6981188748	 0.123892
+H	 1.7968268781	-1.628606703	 1.5809617308	 0.082129
+H	 2.0927153858	-2.1778593175	-0.0794022485	 0.110406
+H	 3.9024777073	 0.011339892	 2.4121850963	 0.086099
+H	 5.233400204	-0.104110497	 1.2333691137	 0.115377
+H	 4.103154986	 2.0800074177	 0.8860577351	 0.084678
+H	 1.6531884106	 1.3028471352	-1.7038606514	 0.102584
+H	 1.4417320017	 1.9686402366	 1.1795929698	 0.091037
+19
+0 2504	2.6538964	1.9766526	1.4153224	2.3124	74.04	-0.22288	0.07685	0.29973	966.2064	0.15804	-422.519072	-422.511632	-422.510688	-422.550421	29.932
+C	 0.0903281726	-0.1374808693	 0.0942300408	-0.467106
+C	 1.5944197861	-0.0313498309	 0.1372660129	 0.410999
+O	 2.1542963781	-0.6402476803	 1.2718896281	-0.292506
+C	 3.1167541827	-1.6422813588	 0.9619630648	-0.077687
+C	 4.3192070044	-1.0645968997	 0.2002835331	-0.233952
+C	 3.8361013319	 0.0069717497	-0.7763337073	 0.107843
+O	 3.6112128962	 1.2794418328	-0.0932980054	-0.300002
+C	 2.2270792187	 1.2257561516	-0.4074402102	 0.042155
+C	 2.3535091241	-0.0803245903	-1.1709586643	-0.257244
+H	-0.3390522077	 0.2482731257	 1.023836493	 0.132863
+H	-0.3225923414	 0.4370845073	-0.7410606624	 0.116341
+H	-0.2255188732	-1.1799282038	-0.0196530287	 0.121818
+H	 3.4148828287	-2.079752128	 1.9177513085	 0.108979
+H	 2.6458643469	-2.4350118946	 0.3605277669	 0.090158
+H	 5.0340703266	-0.5960666723	 0.8841907594	 0.121767
+H	 4.8433181	-1.8677504356	-0.3308090617	 0.096339
+H	 4.5223318289	 0.1602816241	-1.6139599469	 0.085341
+H	 1.7094217936	 2.1567048956	-0.6106037297	 0.10053
+H	 1.9464173927	-0.4225111431	-2.1137160909	 0.093363
+19
+0 2505	2.6735529	1.9886768	1.4377092	1.8312	73.74	-0.24546	0.08749	0.33295	954.4103	0.158557	-422.530448	-422.523095	-422.522151	-422.561693	29.704
+C	 0.066879858	-0.1682357512	 0.1158239751	-0.468843
+C	 1.5681055427	-0.0312316562	 0.1432523377	 0.435028
+O	 2.1427358228	-0.603447651	 1.3066430353	-0.293006
+C	 3.0159631208	-1.6558412824	 0.9737682891	 0.011461
+O	 4.1493178368	-1.2161809771	 0.2602843412	-0.266526
+C	 3.8274472631	-0.2065139461	-0.6855131691	 0.104971
+C	 3.6838233678	 1.2438118408	-0.1072118734	-0.256718
+C	 2.1941772889	 1.2067081721	-0.4378531449	-0.11882
+C	 2.3542728513	-0.1640253497	-1.1289291916	-0.188459
+H	-0.3707641217	 0.2972472277	 1.0043861396	 0.131593
+H	-0.3558127732	 0.3146362768	-0.7700837229	 0.118522
+H	-0.2276884754	-1.2227785767	 0.1068314823	 0.122277
+H	 3.3722578284	-2.0957521484	 1.9077770179	 0.115649
+H	 2.4722679057	-2.411971366	 0.3828666927	 0.081388
+H	 4.5576980179	-0.2847306824	-1.4916226184	 0.089724
+H	 3.953527849	 1.3591079828	 0.9448112493	 0.110005
+H	 4.2314022756	 1.9703578193	-0.7122126437	 0.101008
+H	 1.5855375613	 2.0465957115	-0.7505210092	 0.085735
+H	 1.9361201902	-0.5486719638	-2.051629257	 0.085012
+19
+0 2506	2.6765196	1.8452636	1.3807421	2.5008	73.65	-0.2256	0.06885	0.29445	976.2012	0.158708	-422.530034	-422.522697	-422.521753	-422.561179	30.193
+O	 0.0549416808	 0.3484473599	-0.0676146503	-0.472472
+C	-1.0817939094	 0.8815626552	 0.5605193292	 0.373562
+C	-1.0003102788	 2.3648901595	 0.8696239237	-0.272418
+C	-2.2580563885	 2.9526574873	 1.5407370598	-0.205132
+C	-2.8904882752	 2.0076545449	 2.576306055	-0.218781
+C	-3.0565351981	 0.6169887643	 1.974052078	 0.093041
+O	-3.5271841347	 0.6942391167	 0.5838132525	-0.307057
+C	-2.3088572408	 0.1150898995	 0.1322632608	 0.064573
+C	-1.7587759072	-0.0720239673	 1.5269061996	-0.228112
+H	 0.7775478977	 0.3529682321	 0.5707933816	 0.280903
+H	-0.1327900797	 2.4998172757	 1.5343492495	 0.082636
+H	-0.7701587782	 2.9151435925	-0.0496621086	 0.10819
+H	-2.0096144256	 3.9118128434	 2.0064624079	 0.089397
+H	-3.0073329325	 3.1534460558	 0.7715356616	 0.124896
+H	-2.2695918006	 1.9205002617	 3.4779699605	 0.097822
+H	-3.8605351875	 2.4062297723	 2.8935110192	 0.102808
+H	-3.7258590988	-0.0247286294	 2.5552359273	 0.083062
+H	-2.3283482615	-0.5266105298	-0.7408145837	 0.111266
+H	-1.2656595214	-0.9129865744	 1.9968825962	 0.091816
+19
+0 2507	2.6548875	1.8485475	1.3799795	1.9683	73.83	-0.24311	0.0731	0.31621	974.3121	0.159075	-422.528639	-422.521331	-422.520386	-422.559799	30.076
+O	 0.3132239978	 0.2777981354	 0.8083995582	-0.475056
+C	-0.9611080794	 0.8339772848	 1.0241072824	 0.406027
+C	-1.0653402615	 2.2818307856	 0.5752139746	-0.301296
+C	-2.5076674624	 2.8216677675	 0.5363152037	-0.085836
+O	-3.4643501968	 1.8559962146	 0.1289412266	-0.258808
+C	-3.3736961381	 0.639084374	 0.8401095618	 0.086931
+C	-3.1152769393	 0.7147035179	 2.3903666422	-0.2905
+C	-1.7167147705	 0.1534689842	 2.1550222031	-0.130713
+C	-2.045472016	-0.1239907729	 0.6749397791	-0.11562
+H	 0.9182831907	 0.6765748675	 1.443719162	 0.280622
+H	-0.4552304162	 2.938545185	 1.2100219669	 0.08793
+H	-0.6297402029	 2.3134947732	-0.4300732647	 0.117404
+H	-2.7819733951	 3.2322406465	 1.5177045706	 0.095945
+H	-2.5836345056	 3.6388027628	-0.186131103	 0.109195
+H	-4.2633188095	 0.0696039609	 0.5700813008	 0.090353
+H	-3.2203504957	 1.681332512	 2.889798651	 0.098774
+H	-3.7522748446	-0.0075031306	 2.9080561255	 0.10699
+H	-1.1647266032	-0.4849083406	 2.8346062405	 0.084824
+H	-1.8635200218	-1.0018539479	 0.0684695887	 0.092834
+19
+0 2508	2.6129727	1.9013767	1.3988105	2.3678	74.21	-0.23525	0.06978	0.30502999999999997	966.0175	0.158527	-422.525444	-422.517868	-422.516924	-422.556991	30.347
+O	-0.0408090656	 0.2215948219	 0.3345392323	-0.48459
+C	-0.705281478	 1.0341997139	 1.2663868268	 0.420805
+C	-1.1428382807	 2.3032354138	 0.5577194117	-0.124937
+O	-1.8748427909	 3.1938223297	 1.378100133	-0.247284
+C	-2.8951925015	 2.5700413488	 2.1439864488	-0.087524
+C	-2.3071692692	 1.4942137396	 3.0513452656	-0.050356
+C	-0.9194784039	 1.8889326913	 3.6671998168	-0.241526
+C	-0.2366381568	 0.9193306407	 2.7019450972	-0.139239
+C	-1.6116158976	 0.3694998766	 2.2520727447	-0.174687
+H	 0.1210978847	-0.6398064254	 0.7333718503	 0.2834
+H	-0.2737329249	 2.8609715872	 0.195211494	 0.115415
+H	-1.7382160579	 1.9973287592	-0.3192016667	 0.094808
+H	-3.3519760062	 3.376396169	 2.7267709562	 0.105978
+H	-3.6705431174	 2.1374497034	 1.4886469597	 0.087578
+H	-3.0417559893	 1.1474158973	 3.7807251861	 0.075043
+H	-0.6362050403	 2.9424651968	 3.6148347212	 0.110646
+H	-0.8340792978	 1.5400718581	 4.6995957614	 0.099235
+H	 0.6775259536	 0.3711450557	 2.9072315027	 0.079198
+H	-1.9623364205	-0.6503133875	 2.1337728781	 0.078039
+19
+0 2509	2.067404	1.7834901	0.9959623	3.5684	80.75	-0.23095	-0.04834	0.18261	1192.3314	0.155715	-422.587318	-422.577911	-422.576967	-422.621894	33.555
+C	-0.7786614597	 2.627691704	-0.1407688114	-0.485302
+C	-0.959646468	 1.141759378	-0.0240034351	 0.185374
+C	 0.0570600184	 0.2607893074	 0.0767701652	 0.11683
+C	 1.5175948979	 0.6365388488	 0.1436646604	-0.508767
+C	-0.2568626625	-1.1878966308	 0.0476993742	 0.311046
+O	 0.5981029497	-2.053008959	 0.0398121576	-0.326305
+C	-1.7318370596	-1.5650341196	-0.0557215604	-0.193965
+O	-2.5901025426	-0.6024796895	 0.5167405864	-0.235886
+C	-2.3960410793	 0.6769978653	-0.0343660407	-0.158394
+H	-1.0742694879	 3.1258973827	 0.7921540781	 0.143075
+H	 0.2511062315	 2.9085402935	-0.3642625468	 0.137649
+H	-1.4257469791	 3.0352723193	-0.9273509744	 0.13514
+H	 2.1094905544	-0.2627549073	 0.3199614257	 0.155685
+H	 1.8652069873	 1.0859300028	-0.7937082025	 0.128819
+H	 1.7172548095	 1.3528495107	 0.9462153843	 0.125639
+H	-1.9687298178	-1.7289659913	-1.1236346011	 0.107946
+H	-1.8936085386	-2.5075103007	 0.4711644787	 0.137831
+H	-2.7815730556	 0.7230347804	-1.0727367548	 0.101961
+H	-3.011542148	 1.3641013654	 0.5579019866	 0.121626
+19
+0 2510	2.1630046	1.7469567	1.0134006	4.8929	79.99	-0.25368	-0.03282	0.22086	1181.8778	0.156662	-422.613097	-422.603909	-422.602965	-422.647232	33.197
+C	 0.8485134705	-2.4862395057	 0.2515083717	-0.487734
+C	-0.1806712508	-1.3943677299	 0.1819521038	 0.207232
+C	 0.0650563548	-0.1018089109	-0.1052154652	 0.049064
+C	 1.4122714666	 0.5131696294	-0.3787928719	-0.478477
+C	-1.0682780533	 0.8524526209	-0.3002094033	 0.387819
+O	-0.9257478552	 1.9264932664	-0.8296317351	-0.336044
+O	-2.3140434637	 0.4752901293	 0.089022699	-0.231144
+C	-2.4314098486	-0.6675204061	 0.9407240965	-0.084264
+C	-1.6058636602	-1.8323145652	 0.4269300054	-0.307596
+H	 0.9127796145	-2.889602714	 1.2704381113	 0.134892
+H	 0.5486269613	-3.3237138844	-0.3913431333	 0.135661
+H	 1.8447152935	-2.1670323319	-0.0530444433	 0.134797
+H	 2.2356488296	-0.1692257558	-0.166556689	 0.11369
+H	 1.4822176592	 0.8383748997	-1.4214042338	 0.147048
+H	 1.5466555607	 1.4133568622	 0.2288375448	 0.141572
+H	-2.1054617368	-0.3931740679	 1.9531660293	 0.110932
+H	-3.4982065749	-0.8999217335	 0.9745920312	 0.121889
+H	-1.6345473155	-2.647603027	 1.1597577527	 0.112869
+H	-2.0394179017	-2.2343135555	-0.5000372307	 0.127794
+19
+0 2511	2.5765929	1.3355227	0.9667329	3.1248	80.06	-0.2261	-0.02998	0.19612	1245.5539	0.15425	-422.57791	-422.568134	-422.56719	-422.612917	34.162
+C	-0.9759371294	 2.2514518826	-0.5897556589	-0.497924
+C	-0.9229491908	 0.8047125646	-0.2188949638	 0.183868
+C	 0.1199783103	-0.0307786373	-0.2039483169	 0.179833
+C	 1.5526743467	 0.2012418282	-0.5575779777	-0.501095
+C	-0.362576296	-1.400014612	 0.2418302107	-0.037258
+O	-1.7620599982	-1.2814496147	 0.4282294958	-0.275427
+C	-2.1718550609	 0.0617456587	 0.1783334437	-0.155467
+C	 0.3007353938	-1.7953294089	 1.5614248347	 0.129374
+O	 1.4250737911	-2.2146870815	 1.6524488564	-0.244783
+H	-1.3750006082	 2.8551897427	 0.2351298988	 0.132976
+H	 0.0087513249	 2.6460152465	-0.8494579856	 0.132232
+H	-1.641705839	 2.4145731994	-1.4467662201	 0.133091
+H	 2.2170312482	-0.1430001125	 0.2419149635	 0.154256
+H	 1.8286918665	-0.3679351196	-1.4544618915	 0.134126
+H	 1.7589569099	 1.2562891641	-0.7517845851	 0.124449
+H	-0.133033109	-2.1814667975	-0.4999770696	 0.106344
+H	-2.9322912513	 0.0756128859	-0.6189723369	 0.105874
+H	-2.6451137943	 0.4828828881	 1.0795101612	 0.105781
+H	-0.3533109943	-1.6270878469	 2.4467438612	 0.089749
+19
+0 2512	2.3830559	1.7872327	1.347131	2.0992	76.35	-0.22676	0.01531	0.24206999999999998	1037.5165	0.157323	-422.562491	-422.554231	-422.553287	-422.595043	31.26
+C	-0.1084186832	-2.59921829	-0.1652438678	-0.512473
+C	-0.6539163946	-1.2279349043	 0.0502432944	 0.216638
+C	-0.1272515571	-0.0180024086	-0.1869886851	 0.24221
+C	 1.1875566014	 0.3985878258	-0.750758976	-0.515023
+C	-1.2842692004	 0.9447474877	 0.0867372856	 0.070719
+O	-2.1974257878	 0.8307546963	-1.036335088	-0.277709
+C	-2.8247364516	-0.43929282	-0.8245721382	-0.082557
+C	-2.0961102237	-0.9393827058	 0.4640123522	-0.079046
+O	-1.9793380588	 0.3250152243	 1.142160826	-0.228461
+H	-0.1438902599	-3.1928097708	 0.7570896581	 0.13056
+H	-0.6921122784	-3.150642024	-0.9142036686	 0.129621
+H	 0.9288782669	-2.5734920057	-0.5095562752	 0.129305
+H	 1.7087797657	 1.0956212985	-0.0825305749	 0.12984
+H	 1.847106267	-0.4557200279	-0.9258058549	 0.125695
+H	 1.0517450478	 0.9197124695	-1.7070329014	 0.139721
+H	-1.0812298894	 1.9971303236	 0.2792266926	 0.086576
+H	-3.8959027553	-0.295931013	-0.6468902031	 0.107406
+H	-2.67600286	-1.0957886043	-1.6883742209	 0.100418
+H	-2.6232381889	-1.6741671012	 1.0707089851	 0.086558
+19
+0 2513	2.6609338	1.3477449	0.9362679	4.6755	79.16	-0.24118	0.00949	0.25067	1257.8583	0.155928	-422.607332	-422.597942	-422.596998	-422.642124	33.554
+C	 1.1051057908	-2.0639571433	-0.3025886273	-0.492183
+C	-0.0347753526	-1.086531249	-0.217145099	 0.187045
+C	 0.0294048599	 0.19580572	 0.1526126287	 0.200865
+C	 1.2590562522	 0.9366653428	 0.5970377729	-0.487953
+C	-1.2350754152	 1.0234432423	 0.1010852132	-0.445155
+C	-2.5235919749	 0.2465550765	 0.306309341	 0.416062
+O	-3.5224253786	 0.7339730376	 0.7609433608	-0.330057
+O	-2.5186192485	-1.0575390495	-0.0447300003	-0.219119
+C	-1.3642976034	-1.658432175	-0.6425794081	-0.147096
+H	 0.9859842859	-2.8726976238	 0.4297650301	 0.13433
+H	 1.1331781733	-2.541294635	-1.2909494165	 0.129244
+H	 2.0771620452	-1.5991061293	-0.1356244169	 0.130665
+H	 1.1273317109	 1.3244654343	 1.6152022918	 0.134455
+H	 2.1604834363	 0.3227036575	 0.586773109	 0.126581
+H	 1.4378934826	 1.8092429077	-0.0446826825	 0.13022
+H	-1.2313463455	 1.8203464446	 0.8495963912	 0.14037
+H	-1.3133226252	 1.5334752909	-0.8719085884	 0.142989
+H	-1.4289266192	-2.716852804	-0.3698646747	 0.127554
+H	-1.4741676341	-1.6071963251	-1.7372364652	 0.121185
+19
+0 2514	2.8043331	1.1259475	0.8819294	1.117	79.98	-0.22915	-0.02804	0.20110999999999998	1324.8601	0.15486	-422.570675	-422.560967	-422.560023	-422.606785	33.194
+C	-2.1975041217	 1.1246216244	 2.0812130089	-0.506877
+C	-2.044629142	 1.9566891583	 0.849365787	 0.205771
+C	-0.9566348301	 2.177636356	 0.1058552894	 0.15824
+C	 0.4317209936	 1.6237341665	 0.3036726477	-0.39131
+C	 0.469578443	 0.1670692716	-0.1295284841	 0.16836
+O	 0.6710034915	-0.7576799658	 0.6141564966	-0.240007
+C	-1.3075078641	 3.0886835946	-1.0414104624	-0.155003
+O	-2.6910247516	 3.3746845936	-0.8990814551	-0.262335
+C	-3.2006715464	 2.7217971192	 0.2584911871	-0.140377
+H	-2.9837079618	 0.3713337398	 1.9474798187	 0.135723
+H	-1.2755090606	 0.5994278518	 2.3394060108	 0.147214
+H	-2.4985085056	 1.7408069264	 2.9380917716	 0.131483
+H	 1.1489616732	 2.1886731653	-0.3056061823	 0.122706
+H	 0.7519052267	 1.6766066318	 1.3476061237	 0.132263
+H	 0.2573864875	 0.0018852823	-1.2100671833	 0.082703
+H	-0.7204996443	 4.0229282189	-1.0168712466	 0.102169
+H	-1.1197414546	 2.6227585752	-2.0236845508	 0.101851
+H	-3.6072167271	 3.4649633507	 0.9647269843	 0.102874
+H	-4.0357784158	 2.0593099496	-0.0225834611	 0.104551
+19
+0 2515	2.7122482	1.2565805	0.9261917	2.6495	80.64	-0.22554	0.00747	0.23301	1278.8094	0.156016	-422.535044	-422.525949	-422.525005	-422.569786	32.091
+C	-2.8834082659	-0.087966598	 1.9604845941	-0.503847
+C	-1.4885040033	-0.3464493227	 2.4306525761	 0.153398
+C	-0.334612084	-0.3319851936	 1.7552557528	 0.221823
+C	 0.8045063765	-0.6400575673	 2.6962432577	-0.160217
+O	 0.2006900952	-0.8613396741	 3.9661560738	-0.266278
+C	-1.2051684782	-0.6863879937	 3.871251088	-0.137306
+C	-0.1198131159	-0.0384671868	 0.3286707574	-0.038023
+C	 0.9064541478	-0.7182272021	-0.4874449364	-0.185719
+O	 1.11966102	 0.6088264912	-0.0194137333	-0.23315
+H	-3.3555738286	 0.70295909	 2.5564776512	 0.133641
+H	-2.9230722104	 0.2118372125	 0.9108407776	 0.13066
+H	-3.5099236011	-0.9816387001	 2.0759934281	 0.134373
+H	 1.3715246054	-1.5364166012	 2.3984753586	 0.099246
+H	 1.5216173021	 0.1913387062	 2.7531013495	 0.120771
+H	-1.7229125323	-1.6067584516	 4.1901210529	 0.100428
+H	-1.5363633641	 0.1159415064	 4.5524588117	 0.101476
+H	-0.9812144821	 0.3585228265	-0.2071267807	 0.091382
+H	 1.5379936976	-1.4830297891	-0.0392137617	 0.118949
+H	 0.7459891214	-0.8201803124	-1.5603316974	 0.118392
+19
+0 2516	2.3317232	1.4394409	0.9240537	3.0581	81.64	-0.24555	-0.0535	0.19205	1251.3223	0.156713	-422.578726	-422.569807	-422.568862	-422.612479	32.467
+C	 1.3477985214	 0.6022615211	-0.4205161874	-0.489869
+C	-0.0844211958	 0.2638215417	-0.1071078364	 0.185419
+C	-1.1258048526	 1.119519102	-0.0415182176	 0.105614
+C	-2.5083268072	 0.6344117422	 0.3370368275	-0.290086
+C	-2.4355188506	-0.7330596543	 1.0042515065	-0.102686
+O	-1.6412717366	-1.6207858265	 0.2296334374	-0.24275
+C	-0.3004217723	-1.2087839538	 0.1663033804	-0.137799
+C	-1.0075860982	 2.5591780898	-0.3283783086	 0.082156
+O	-1.9397540025	 3.3323938544	-0.2513288002	-0.27455
+H	 2.0097921085	 0.1611653912	 0.3351053278	 0.136785
+H	 1.641178569	 0.1628052212	-1.3822641232	 0.141469
+H	 1.5549851988	 1.6703957706	-0.4594938373	 0.141506
+H	-2.979207964	 1.3690367508	 0.9982207623	 0.126106
+H	-3.1412226933	 0.5836026668	-0.5576535582	 0.12383
+H	-2.0184215573	-0.6410737011	 2.0209898273	 0.089541
+H	-3.4222133505	-1.1961102736	 1.0842787485	 0.112774
+H	 0.2370258485	-1.4639644758	 1.1011841585	 0.102313
+H	 0.1698138603	-1.799867147	-0.6300579947	 0.12346
+H	-0.0076422853	 2.92441092	-0.6358056425	 0.066765
+19
+0 2517	2.2482303	1.4939727	0.932934	4.1218	81.66	-0.2435	-0.05408	0.18941999999999998	1245.5368	0.156754	-422.578217	-422.569324	-422.56838	-422.611856	32.471
+C	 1.4529795592	 0.7744362265	 0.0825878705	-0.488728
+C	 0.0454357935	 0.246507973	 0.0214479288	 0.211154
+C	-1.0582445973	 0.9587956968	-0.2893449103	 0.077615
+C	-2.4386254021	 0.3307180969	-0.2717300494	-0.155768
+O	-2.48467165	-0.925393666	 0.3727693954	-0.24293
+C	-1.4475656274	-1.7779245835	-0.0652414802	-0.092522
+C	-0.0883330275	-1.2213584979	 0.3561196714	-0.283941
+C	-1.0408641658	 2.3729990798	-0.6892903835	 0.089426
+O	-2.044773078	 2.9874423104	-0.9894240957	-0.279357
+H	 1.8976700918	 0.525872991	 1.0543663458	 0.137679
+H	 2.0746353417	 0.2798242152	-0.6743887259	 0.137474
+H	 1.5376571221	 1.8508789792	-0.0588512361	 0.137668
+H	-3.1306486087	 0.9870030771	 0.2624920746	 0.13591
+H	-2.8171151911	 0.2522052671	-1.3055186799	 0.10822
+H	-1.6316316273	-2.7570866091	 0.3852510299	 0.110894
+H	-1.481550464	-1.8971169653	-1.1612558908	 0.091573
+H	 0.0529850871	-1.3529571137	 1.438280677	 0.126903
+H	 0.7213035339	-1.7853603474	-0.1259085324	 0.108498
+H	-0.0530100698	 2.87381508	-0.7174173795	 0.070232
+19
+0 2518	2.2482415	1.828315	1.0786946	2.1191	78.84	-0.23369	0.01271	0.2464	1122.7257	0.157627	-422.527888	-422.519685	-422.518741	-422.56049	30.9
+C	 0.0320211734	 1.4843741406	 0.053325852	-0.48535
+C	-0.0515569693	-0.0018073896	-0.1372779566	 0.111567
+C	-1.1626868187	-0.7246494646	-0.1259235309	 0.142648
+C	-2.5640393611	-0.6855465046	 0.4315535038	-0.15881
+O	-2.4292900422	-2.0932719907	 0.792223111	-0.306209
+C	-1.2228594393	-2.2179658345	-0.0117426299	 0.088993
+C	 0.076207906	-2.7044739491	 0.618838738	-0.126757
+O	 1.1110429088	-2.1913698123	-0.2183061204	-0.255938
+C	 1.2487104875	-0.7766624419	-0.2256078301	-0.130388
+H	 0.6624061369	 1.7401983885	 0.9142391067	 0.12841
+H	 0.4799152563	 1.9745782899	-0.8205743249	 0.131757
+H	-0.9562878253	 1.9240397167	 0.2105444798	 0.127714
+H	-2.7416093166	-0.0436184609	 1.3025526811	 0.115252
+H	-3.3756466283	-0.5397998284	-0.2950179755	 0.106711
+H	-1.4320315293	-2.7727131474	-0.9364498888	 0.085514
+H	 0.1523275069	-2.3349825578	 1.6522229869	 0.09659
+H	 0.1997849954	-3.7903467859	 0.6155194084	 0.110044
+H	 1.8036532077	-0.5401589962	-1.1422250175	 0.119663
+H	 1.8836335014	-0.4563376116	 0.6210524671	 0.098589
+19
+0 2519	2.6479745	1.6532987	1.1223293	3.3303	78.48	-0.24216	0.00662	0.24877999999999997	1108.1974	0.158091	-422.563741	-422.555538	-422.554594	-422.596722	30.398
+C	-0.1091130647	 1.4223439943	 0.2132499588	-0.49639
+C	-0.0634195293	-0.0524032795	-0.0170031811	 0.164657
+C	-1.0356385053	-0.8917248549	-0.3654139236	 0.107889
+C	-2.5211451696	-0.9492025841	-0.2515334628	-0.340894
+C	-2.6052145453	-2.1533665532	 0.7301099566	-0.061095
+O	-1.499194662	-3.0180030943	 0.4258631087	-0.273022
+C	-0.5343472436	-2.3075180938	-0.3348100805	 0.19867
+O	 0.7570245721	-2.2415801552	 0.2345351207	-0.272677
+C	 1.1794399174	-0.8768138125	 0.2516857483	-0.151713
+H	 0.5545570789	 1.9529436221	-0.4810839254	 0.135718
+H	-1.1183014379	 1.8193226183	 0.0768863385	 0.129647
+H	 0.229938351	 1.6760297877	 1.2252922254	 0.131865
+H	-2.9807795471	-0.0451993457	 0.1535620985	 0.112041
+H	-3.0097575458	-1.194534224	-1.2018201313	 0.116792
+H	-2.5325852928	-1.7962666834	 1.7665320577	 0.10248
+H	-3.5260257484	-2.734633559	 0.6256706237	 0.108643
+H	-0.4524086773	-2.8229623075	-1.3048996611	 0.070843
+H	 1.9754797143	-0.7220251845	-0.4943925758	 0.10546
+H	 1.6068147154	-0.6356946507	 1.2358687547	 0.111084
+19
+0 2520	2.7061143	1.5735852	1.0674595	2.2873	78.59	-0.23315	0.00902	0.24217	1137.1587	0.157885	-422.554268	-422.546019	-422.545075	-422.587222	30.478
+C	-0.0429734579	 1.4515766893	 0.1245115873	-0.497047
+C	-0.0277598524	-0.0366879274	-0.0025525842	 0.122012
+C	-1.028269141	-0.8892676607	-0.2000020865	 0.177439
+C	-2.5164331784	-0.9324044386	-0.0872282775	-0.166268
+O	-2.7925905168	-2.2544978454	 0.4192905876	-0.275719
+C	-1.5729910675	-2.8969248323	 0.814113542	-0.096399
+C	-0.5260395284	-2.3041695477	-0.1407907108	 0.051117
+O	 0.8152146864	-2.2137847899	 0.302824584	-0.278744
+C	 1.241767019	-0.8549348322	 0.1593912661	-0.152172
+H	 0.5119041743	 1.9277894244	-0.6939137404	 0.135494
+H	-1.0621090447	 1.8465343949	 0.1077323461	 0.129746
+H	 0.4371217894	 1.7733443099	 1.0569422447	 0.131339
+H	-2.9069990534	-0.1676577796	 0.5987384029	 0.108982
+H	-3.0421592731	-0.8256238479	-1.044910049	 0.114439
+H	-1.2979098536	-2.6574529365	 1.8523885207	 0.095496
+H	-1.7321863645	-3.9738873344	 0.7208635745	 0.10913
+H	-0.5743207799	-2.8233028448	-1.112745857	 0.080927
+H	 1.9269199257	-0.7556872155	-0.7001472771	 0.10066
+H	 1.8040030967	-0.5594255856	 1.0566144069	 0.109568
+19
+0 2521	2.5919828	1.3548364	1.1001327	3.5699	79.48	-0.23626	-0.04746	0.1888	1184.0847	0.155241	-422.609891	-422.600551	-422.599607	-422.643772	34.797
+C	 1.3788521838	 0.8326206356	 0.1897834407	-0.48673
+C	 0.0404679608	 0.1733554973	 0.1730106573	 0.318683
+C	-0.2144911583	-1.1438131817	 0.2861734939	-0.289069
+C	-1.65598724	-1.3877146247	 0.1851204424	 0.351137
+O	-2.2554101649	-2.4357167169	 0.0618905078	-0.369467
+C	-2.3731226584	-0.016712616	 0.1993496668	 0.304123
+C	-3.0917901458	 0.17318441	 1.5417544778	-0.430635
+O	-3.2974787688	 0.0348027586	-0.8749997026	-0.478172
+C	-1.2246733845	 0.9867534596	-0.0109912099	-0.351714
+H	 1.4332275947	 1.5694603995	 1.0010395372	 0.141108
+H	 2.1906194656	 0.1131225219	 0.3176573733	 0.135808
+H	 1.5465263287	 1.38798492	-0.7413191725	 0.143752
+H	 0.519859663	-1.9336639273	 0.3853126963	 0.112491
+H	-3.7933794426	-0.6504356522	 1.7055739417	 0.12836
+H	-2.3845613049	 0.1921702208	 2.3780567862	 0.113103
+H	-3.6497923919	 1.1138864206	 1.5290672371	 0.124072
+H	-3.6778488718	-0.8533910793	-0.9312389169	 0.286217
+H	-1.2746750623	 1.3954067108	-1.0269188763	 0.137118
+H	-1.2600592924	 1.8384972936	 0.6782787699	 0.109814
+19
+0 2522	2.4756814	1.3934098	1.0989954	3.8187	79.3	-0.2323	-0.04102	0.19128	1168.2935	0.154882	-422.60797	-422.598507	-422.597563	-422.641941	35.24
+C	 1.3496247206	 0.8024380114	 0.2500185507	-0.496287
+C	-0.0221975017	 0.2697635515	 0.0037106209	 0.340916
+C	-1.1685709388	 0.9615164441	-0.0679203858	-0.315004
+C	-2.3258484622	 0.066168495	-0.2606795851	 0.391615
+O	-3.4791749866	 0.3825869772	-0.4409342108	-0.334764
+C	-1.7862719983	-1.3686375045	-0.1762933949	-0.395626
+C	-0.2463251195	-1.2298370075	-0.2027356421	 0.283794
+C	 0.3537094373	-1.7055019314	-1.5355702252	-0.442912
+O	 0.4001792819	-1.8899312993	 0.8874218303	-0.472255
+H	 1.789750489	 0.3024474201	 1.1188412348	 0.159542
+H	 2.0131111117	 0.5951972484	-0.5982019205	 0.136054
+H	 1.3386791515	 1.8808245529	 0.4219281855	 0.130147
+H	-1.2736565958	 2.0373131647	 0.0062337363	 0.109851
+H	-2.0924248656	-1.7978413232	 0.7829637725	 0.135806
+H	-2.2019944207	-1.98981952	-0.9738584893	 0.11695
+H	 0.1707103462	-2.7786749774	-1.6669494941	 0.114182
+H	-0.1016224557	-1.1842257478	-2.3827990235	 0.130812
+H	 1.4340446277	-1.5396823626	-1.5589929593	 0.126162
+H	 0.3763380591	-2.8373721016	 0.7169556597	 0.281018
+19
+0 2523	2.4192399	1.4793473	1.1545634	5.3471	78.53	-0.25889	-0.03336	0.22553	1143.9648	0.155192	-422.627549	-422.618223	-422.617279	-422.661132	34.56
+C	 1.3132793486	 0.9304876126	 0.4500253666	-0.502902
+C	-0.0365612469	 0.3146795153	 0.2869305158	 0.333397
+C	-1.2129600328	 0.9182964294	 0.1037726626	-0.387761
+C	-2.2797438983	-0.0974354768	-0.0055670804	 0.419945
+O	-3.4601915379	 0.0339187854	-0.1720927728	-0.353876
+O	-1.6853952594	-1.3292290896	 0.1205583526	-0.258049
+C	-0.262771532	-1.1893680316	 0.3104307722	 0.250722
+C	 0.0933740597	-1.8164629982	 1.6640683347	-0.414829
+C	 0.4377202457	-1.9076246859	-0.8496713393	-0.414821
+H	 1.7609366889	 0.6521726993	 1.4113477675	 0.143393
+H	 2.0023426392	 0.5846574173	-0.3294128255	 0.143289
+H	 1.2600326587	 2.0201746914	 0.4004728359	 0.140416
+H	-1.418181484	 1.9772714003	 0.0371796917	 0.125542
+H	-0.1973596146	-2.8701482247	 1.6702255268	 0.136713
+H	 1.1694064138	-1.7549487025	 1.8515070605	 0.11914
+H	-0.4345847897	-1.3061395529	 2.4737561573	 0.131912
+H	 0.1485034189	-2.96170349	-0.8590595853	 0.136725
+H	 0.1521217115	-1.4609723683	-1.8055466451	 0.13191
+H	 1.5251062906	-1.8497477104	-0.7448003659	 0.119134
+19
+0 2524	2.1708099	1.5506519	0.9454047	3.3446	81.43	-0.23781	-0.04908	0.18873	1241.1228	0.157069	-422.577258	-422.568487	-422.567543	-422.61109	32.27
+C	 1.4970836284	 0.8458888518	 0.534449263	-0.463415
+C	 0.1813301504	 0.2075076717	 0.1623283932	 0.262686
+C	 0.132888533	-1.1059166957	-0.1199487919	-0.231348
+C	-0.9844597101	-2.0207041561	-0.4495885678	 0.353494
+O	-0.7285757715	-3.19880041	-0.627319668	-0.329376
+C	-2.4285872665	-1.5520957236	-0.5779198996	-0.297344
+C	-2.8124917818	-0.2851018557	 0.1738328125	-0.111209
+O	-2.1776146326	 0.8502099169	-0.3895254243	-0.237129
+C	-0.9559825208	 1.2017671448	 0.1971448126	-0.156209
+H	 1.4202470071	 1.3735834296	 1.4935065443	 0.133598
+H	 2.296655207	 0.1074523048	 0.6126137259	 0.138147
+H	 1.7899188721	 1.5964906259	-0.2105065145	 0.137849
+H	 1.0675831939	-1.6610751277	-0.0822193285	 0.09728
+H	-2.6168185631	-1.379528165	-1.6456243041	 0.137844
+H	-3.0616719608	-2.393829107	-0.2796735152	 0.122689
+H	-3.8905450135	-0.11715314	 0.0790466936	 0.114199
+H	-2.5833749015	-0.3668351955	 1.2470943134	 0.0979
+H	-0.6313324922	 2.1124683682	-0.3218452896	 0.124443
+H	-1.1002172975	 1.4919002522	 1.2563608848	 0.105901
+19
+0 2525	2.1934062	1.5364598	0.9506201	3.8062	81.42	-0.23324	-0.05026	0.18298	1240.2816	0.157134	-422.577085	-422.568364	-422.567419	-422.610775	32.244
+C	 1.2766343051	 0.7657727237	-0.278503306	-0.462473
+C	-0.1207693099	 0.2061932066	-0.3713100005	 0.291941
+C	-1.1713263906	 1.0426939586	-0.2828012597	-0.220487
+C	-2.6318371712	 0.822752664	-0.3293719378	 0.315885
+O	-3.3752365395	 1.7850202473	-0.4053714918	-0.326654
+C	-3.2937337513	-0.5586848725	-0.2712916115	-0.186802
+O	-2.4856475707	-1.6730589983	 0.005544602	-0.235036
+C	-1.4825276243	-1.913557366	-0.9603468008	-0.102975
+C	-0.1541127869	-1.2899567942	-0.5516659822	-0.280541
+H	 1.8401618489	 0.2655666593	 0.5192351429	 0.13411
+H	 1.8305806617	 0.5834967402	-1.2081369278	 0.133743
+H	 1.2769024185	 1.8392790234	-0.0808041433	 0.133644
+H	-0.9619953212	 2.1052425317	-0.1791379934	 0.098513
+H	-4.0480364975	-0.5103305815	 0.5193525309	 0.14118
+H	-3.8356817266	-0.6846145337	-1.2236448818	 0.118464
+H	-1.3614147922	-2.9999624054	-1.0381107014	 0.110388
+H	-1.7968089842	-1.5432428609	-1.9480240308	 0.097236
+H	 0.171682179	-1.7496674237	 0.392894326	 0.131442
+H	 0.6109907828	-1.5715156485	-1.2891673829	 0.108421
+19
+0 2526	2.2617806	1.5212985	0.969857	5.3327	80.26	-0.25385	-0.0345	0.21935000000000002	1227.1761	0.157797	-422.599638	-422.591016	-422.590072	-422.633045	32.004
+C	 1.3828094156	 0.7705328417	 0.146596987	-0.460291
+C	 0.0315735906	 0.1398361714	-0.0878060698	 0.269221
+C	-0.1159895451	-1.1796414728	 0.1131200323	-0.253012
+C	-1.2351379515	-2.1364842523	-0.0928219267	 0.384897
+O	-0.9968301315	-3.3113731448	-0.2335590202	-0.337736
+O	-2.5330510281	-1.7472798255	-0.1118940796	-0.228576
+C	-2.9310230571	-0.4006315496	 0.1440024046	-0.072355
+C	-2.3935533001	 0.5785137757	-0.8953403457	-0.233268
+C	-1.0141891625	 1.1275246899	-0.5356240732	-0.282869
+H	 1.3066655472	 1.5972875976	 0.8639086573	 0.129938
+H	 2.1112074241	 0.0510233527	 0.5250743216	 0.133443
+H	 1.7752832499	 1.2018176815	-0.7828123118	 0.134322
+H	 0.7667839157	-1.7401076275	 0.4067312864	 0.111701
+H	-4.0220533403	-0.4415170036	 0.1130874419	 0.124042
+H	-2.6331699349	-0.1049242245	 1.1587539257	 0.110739
+H	-2.3749060933	 0.065300712	-1.8631067134	 0.125412
+H	-3.0899604016	 1.4179994257	-0.9979021332	 0.107591
+H	-0.6086528587	 1.6986717226	-1.3819886008	 0.118067
+H	-1.1199337185	 1.8689324399	 0.2713807377	 0.118733
+19
+0 2527	2.552565	1.3531301	1.0956759	2.6376	78.29	-0.24235	-0.02499	0.21736	1191.9639	0.154267	-422.601202	-422.591604	-422.59066	-422.635534	35.44
+C	 1.3829226207	 0.8718742246	 0.2879976584	-0.48619
+C	-0.0126303216	 0.3357387954	 0.2750948948	 0.297739
+C	-1.1212312124	 0.9869247726	-0.0936669941	-0.19453
+C	-2.3764925999	 0.1697261699	 0.057365463	 0.26189
+C	-3.2748847488	 0.6368180432	 1.2160062044	-0.42704
+O	-3.1209246748	 0.1273134133	-1.1524441843	-0.474746
+C	-1.7907546034	-1.2303730421	 0.3549887596	 0.355773
+O	-2.4220788828	-2.2489797918	 0.2337293811	-0.32828
+C	-0.3125760807	-1.0845197059	 0.7073962536	-0.421562
+H	 1.8092803888	 0.8443099465	 1.2988985597	 0.129016
+H	 2.0430920586	 0.2645020974	-0.343984283	 0.131756
+H	 1.4190174253	 1.9038990483	-0.0705007281	 0.129495
+H	-1.1496307462	 2.0129948438	-0.4441742014	 0.101107
+H	-2.7244012845	 0.6947508308	 2.1605800453	 0.114269
+H	-3.6784898596	 1.626834098	 0.9856720593	 0.128186
+H	-4.1099939284	-0.0603266835	 1.3414730887	 0.124609
+H	-3.6036571345	-0.7104365311	-1.138104443	 0.287099
+H	-0.1610308249	-1.2434000126	 1.7848341245	 0.136015
+H	 0.2898323192	-1.8464538367	 0.1980495714	 0.135396
+19
+0 2528	2.6819892	1.4339138	1.1979973	2.3642	76.77	-0.24122	-0.0019	0.23931999999999998	1125.9508	0.155299	-422.558545	-422.549657	-422.548713	-422.591518	34.049
+C	 1.3154209812	 0.6553718822	 0.3311667397	-0.499917
+C	-0.0339387719	 0.0112831035	 0.3276878048	 0.311323
+C	-0.3400323941	-1.2881738232	 0.3976323218	-0.249846
+C	-1.8415621291	-1.5634330026	 0.4150554974	 0.354719
+C	-2.3103190473	-2.4497464234	-0.7322744912	-0.42799
+O	-2.2349909259	-2.2057495791	 1.6239134033	-0.469873
+C	-2.4219941527	-0.1399785066	 0.3335344916	-0.021471
+O	-2.1124614459	 0.6353183138	 1.4980112495	-0.274266
+C	-1.3089263598	 0.8079568029	 0.2962288489	-0.067483
+H	 1.4308193823	 1.3236734931	 1.1936081718	 0.137116
+H	 2.1141844065	-0.0897393722	 0.3658165404	 0.129519
+H	 1.464679991	 1.2714285409	-0.5644913993	 0.128814
+H	 0.372032466	-2.0986839259	 0.5153464442	 0.099492
+H	-1.8260671041	-3.428528693	-0.6747222473	 0.127349
+H	-3.3928175057	-2.5997047085	-0.6702112499	 0.124162
+H	-2.0673969231	-1.9977556243	-1.6982493463	 0.117737
+H	-2.0829992666	-1.5560592826	 2.3230193724	 0.285865
+H	-3.3989163287	 0.0375954512	-0.10866063	 0.096476
+H	-1.3661030621	 1.7972650838	-0.1486027616	 0.098274
+19
+0 2529	2.7022507	1.3291207	1.1116642	4.4886	78.98	-0.26227	-0.03265	0.22962	1192.5667	0.155124	-422.627178	-422.61778	-422.616835	-422.660982	34.624
+C	 1.3249202198	 0.9198158119	 0.6256628653	-0.488438
+C	-0.0294386729	 0.3580085011	 0.3535953904	 0.17694
+C	-1.20967042	 0.9473086669	 0.1623102585	-0.24131
+C	-2.2843502269	-0.0837096466	-0.0781499164	 0.306859
+C	-2.9010079431	 0.024380359	-1.4775259802	-0.409116
+C	-3.3579413039	-0.0811838659	 1.0161864221	-0.409134
+O	-1.5678520082	-1.3378757755	 0.0000809422	-0.252203
+C	-0.2434261847	-1.1139164698	 0.2520568067	 0.361752
+O	 0.5605611694	-1.9985043495	 0.3617100746	-0.350444
+H	 1.7143349667	 0.5387017476	 1.575785676	 0.148616
+H	 2.0336404776	 0.6026245787	-0.1467462231	 0.148734
+H	 1.3093699611	 2.0114132678	 0.6635460351	 0.124026
+H	-1.422261171	 2.0098373182	 0.1681932772	 0.115784
+H	-3.606008947	-0.7952328537	-1.6411259188	 0.133938
+H	-3.4385013696	 0.9714315198	-1.5857725241	 0.119382
+H	-2.1230451716	-0.0250043191	-2.2433090102	 0.130642
+H	-4.0621553835	-0.9014622845	 0.8525367374	 0.133966
+H	-2.9007379796	-0.2036331865	 2.0011018923	 0.130622
+H	-3.9138404425	 0.8613324	 1.003534455	 0.119384
+19
+0 2530	2.6976084	1.2542514	1.0454549	2.8703	79.2	-0.23689	-0.04294	0.19394999999999998	1225.3348	0.154681	-422.607389	-422.597787	-422.596843	-422.641767	35.358
+C	 1.392205398	 0.8277845933	 0.2521333188	-0.493352
+C	 0.008680763	 0.2994636948	 0.061717322	 0.19514
+C	-1.1534596122	 0.956538308	-0.0288788323	-0.168942
+C	-2.356249477	 0.0685016504	-0.2737581082	 0.342957
+C	-2.9678282444	 0.3327848638	-1.6579489417	-0.43992
+O	-3.3080374332	 0.377989541	 0.7463707843	-0.471621
+C	-1.7664974332	-1.3582277106	-0.1438116491	-0.395358
+C	-0.2485247394	-1.1620673664	-0.0727794782	 0.332994
+O	 0.5928748636	-2.0292905724	-0.1189703273	-0.325792
+H	 1.8237744065	 0.4477442486	 1.1846142238	 0.144518
+H	 2.0474508394	 0.4779255354	-0.5527548689	 0.145014
+H	 1.4119350603	 1.9198020098	 0.2769235544	 0.122793
+H	-1.2821161031	 2.0321570517	 0.0426860649	 0.112035
+H	-3.8392083888	-0.313988408	-1.8186285108	 0.111815
+H	-3.2932314567	 1.3739874387	-1.7386353442	 0.126134
+H	-2.2480782435	 0.127668375	-2.4558860788	 0.126945
+H	-4.1315971049	-0.0714832632	 0.5278912567	 0.278972
+H	-2.1062557478	-1.8063867621	 0.79494424	 0.136904
+H	-2.0313363366	-2.0381284277	-0.9580212654	 0.118764
+19
+0 2531	3.0225231	1.1195992	1.040618	3.49	79.79	-0.22922	-0.03042	0.1988	1257.6351	0.153919	-422.579536	-422.569852	-422.568908	-422.614312	34.514
+C	 1.410267089	 0.8297978406	-0.0200655564	-0.493782
+C	 0.0110285103	 0.3293909763	 0.1296571002	 0.29999
+C	-1.1361739573	 0.9931481498	 0.0043320718	-0.250784
+C	-2.3135493076	 0.0809117656	 0.264515122	 0.258145
+C	-3.2285221309	 0.5317044661	 1.4025211815	-0.419122
+O	-1.7148862812	-1.1874359442	 0.5584931918	-0.308277
+C	-0.2943844749	-1.1006137583	 0.4976998116	-0.16691
+C	-3.0967569691	-0.073587317	-1.0487753161	 0.134453
+O	-4.0517945138	 0.5865844725	-1.361663203	-0.252394
+H	 1.9787779315	 0.6945040442	 0.908450324	 0.135085
+H	 1.9464120108	 0.2730222182	-0.7986705205	 0.135425
+H	 1.4323656153	 1.889961297	-0.2827286914	 0.134609
+H	-1.2603005162	 2.038013895	-0.2506627177	 0.113964
+H	-3.9560510116	-0.2527184449	 1.6287511939	 0.130322
+H	-2.6422819256	 0.7398206703	 2.3007053231	 0.115899
+H	-3.7753620181	 1.4300225253	 1.1064285929	 0.136779
+H	 0.1440393562	-1.3799377984	 1.4693499653	 0.106617
+H	 0.0947412074	-1.8136580107	-0.2458720634	 0.107682
+H	-2.6677701843	-0.8587890375	-1.7111787496	 0.082299
+19
+0 2532	3.1646195	1.0677985	1.0167081	3.0275	79.44	-0.24192	-0.03675	0.20517	1273.9686	0.155537	-422.592771	-422.583607	-422.582663	-422.626736	33.922
+C	 1.3678966888	 0.7481422991	-0.219797288	-0.489716
+C	-0.0058838489	 0.2121927494	 0.0284177744	 0.333379
+C	-1.1668740753	 0.8316390402	-0.1941989419	-0.246974
+C	-2.3752538752	-0.0029094614	 0.1881793387	 0.3126
+O	-3.3659894528	-0.0445230924	-0.8088981556	-0.481069
+C	-1.7415091776	-1.4052479125	 0.4578975949	-0.289718
+C	-0.2209317598	-1.1731782457	 0.6033659862	-0.303112
+C	-2.9860816196	 0.5610485932	 1.4634493532	 0.114067
+O	-4.1297967859	 0.9439468495	 1.5208257545	-0.278257
+H	 1.9544070401	 0.7744997127	 0.7074279846	 0.129408
+H	 1.9183947833	 0.1029352565	-0.9160474482	 0.131452
+H	 1.3413520809	 1.7585179623	-0.6353443964	 0.129132
+H	-1.2873268017	 1.833082848	-0.5922477261	 0.099375
+H	-4.1643631554	 0.3296566404	-0.4028029386	 0.289468
+H	-2.1823541877	-1.9174787604	 1.3183323265	 0.103311
+H	-1.9672785481	-2.0020316057	-0.4287402831	 0.133576
+H	 0.0982258963	-1.2064620294	 1.6540569085	 0.109031
+H	 0.3765952419	-1.9323656959	 0.0840110797	 0.108316
+H	-2.3087203433	 0.6068244422	 2.3406854766	 0.095731
+19
+0 2533	4.183235	0.9607674	0.8265113	1.7409	79.37	-0.2327	0.01645	0.24914999999999998	1411.1957	0.156003	-422.536758	-422.527884	-422.52694	-422.571011	31.971
+C	 1.4765662918	 0.8200223161	 0.0866691158	-0.493036
+C	 0.0789939332	 0.3106522219	 0.2234886326	 0.296076
+C	-1.0700828066	 0.9128846107	-0.0716139512	-0.218234
+C	-2.2335218387	 0.0091171776	 0.2321155229	 0.063763
+O	-1.6419302001	-1.1795365702	 0.7648382536	-0.280092
+C	-0.2219956467	-1.0726123497	 0.7436717532	-0.152
+C	-3.2038408416	 0.5818022193	 1.2482286364	 0.078346
+C	-4.6362276852	 0.2761857699	 1.1971833998	-0.175099
+O	-4.1367573785	 1.535266459	 0.7366306582	-0.239007
+H	 1.9943423397	 0.8197760822	 1.054028765	 0.131264
+H	 2.0667575957	 0.1820316901	-0.5831921755	 0.13141
+H	 1.4956914355	 1.8381612215	-0.3093479817	 0.132092
+H	-1.1982393216	 1.9102439602	-0.4728267268	 0.11193
+H	-2.8081517031	-0.233556352	-0.6775049948	 0.08317
+H	 0.1790880959	-1.2370271157	 1.756322483	 0.103536
+H	 0.2075160849	-1.8562600818	 0.0976072758	 0.101911
+H	-2.7559704846	 0.8450663905	 2.2073984031	 0.091702
+H	-5.0131107483	-0.388560983	 0.4209474178	 0.116418
+H	-5.2301906317	 0.3147222332	 2.1087037027	 0.115851
+19
+0 2534	4.631733	0.8836498	0.788364	2.5639	79.89	-0.24387	0.01354	0.25741	1460.9821	0.156587	-422.604103	-422.595023	-422.594079	-422.638893	32.411
+C	-3.6782924108	 3.9180333375	 2.2966974382	-0.488086
+C	-2.8456678067	 3.0536337088	 1.4050431252	 0.32735
+C	-1.6787197638	 2.4764390034	 1.6990294751	-0.204338
+C	-1.0985830013	 1.7310055763	 0.5346291012	 0.115314
+C	-2.2499906988	 1.6903734339	-0.495693811	-0.240511
+C	-3.2532668486	 2.7711375729	-0.0265469401	-0.305825
+O	-0.6981143156	 0.3974999206	 0.9692390904	-0.224786
+C	 0.1602338774	-0.2502704114	 0.175277316	 0.182852
+O	 0.6094574946	 0.1446795244	-0.8671947711	-0.310637
+H	-3.2341810642	 4.0261573731	 3.2895433279	 0.126956
+H	-3.8058429962	 4.9202069142	 1.8680572615	 0.129249
+H	-4.686437223	 3.5009590103	 2.4138860977	 0.129393
+H	-1.1558951593	 2.5553455643	 2.6454844635	 0.095301
+H	-0.1987460648	 2.2053424628	 0.1300117365	 0.109012
+H	-1.8968097192	 1.8344998441	-1.5177628686	 0.119539
+H	-2.7113467219	 0.7001414628	-0.4410783002	 0.116049
+H	-3.1759007429	 3.6858207879	-0.6302453782	 0.111247
+H	-4.2975444103	 2.4452761363	-0.1050875829	 0.105634
+H	 0.3997888755	-1.2232219424	 0.6338795989	 0.106286
+19
+0 2535	5.1785629	0.7880025	0.7188123	4.2914	80.13	-0.23449	-0.01672	0.21777000000000002	1568.8732	0.154852	-422.572493	-422.562958	-422.562013	-422.608125	33.153
+C	-1.3544620579	 5.1474893881	-2.7349645115	-0.49327
+C	-1.0934839166	 3.9992498319	-1.8159632125	 0.299057
+C	-1.6230368912	 2.778611674	-1.8214328176	-0.2137
+C	-1.0565421327	 1.9505994005	-0.7017100541	 0.07565
+C	-0.3304017644	 0.6721165832	-1.1715525025	-0.281606
+C	 0.3035944134	-0.0801131752	-0.020821708	 0.154291
+O	 0.097434036	-1.2413005547	 0.2281145738	-0.243391
+O	-0.1293519575	 2.8192781873	-0.0418263971	-0.280745
+C	-0.1227553942	 4.0988030014	-0.6662718651	-0.153354
+H	-1.7318102715	 6.0175435741	-2.1832565061	 0.133665
+H	-0.4331296089	 5.4707863174	-3.2354427475	 0.133016
+H	-2.0864915893	 4.8886423041	-3.5036713312	 0.132219
+H	-2.3596127357	 2.3972730733	-2.5178240928	 0.103808
+H	-1.8398347898	 1.6578695126	 0.0172874533	 0.094646
+H	-1.0220894468	 0.0014404542	-1.6902263411	 0.11497
+H	 0.4633837182	 0.9729955154	-1.8679784269	 0.118407
+H	 0.9914192628	 0.5311817203	 0.6010630117	 0.095467
+H	-0.4214195663	 4.8733110762	 0.0589231474	 0.105908
+H	 0.8969394024	 4.3485900458	-1.0001539719	 0.104961
+19
+0 2536	2.6691893	1.2141105	0.9414532	3.2949	80.08	-0.23424	-0.02716	0.20708000000000001	1280.4643	0.156272	-422.573383	-422.564404	-422.56346	-422.607465	32.534
+C	 1.449884589	 0.81601665	-0.4234533375	-0.477746
+C	 0.0423755761	 0.3581393431	-0.1680016231	 0.28811
+C	-1.0099278529	 1.1788962813	-0.1451757305	-0.189309
+C	-2.4117956054	 0.6963420263	 0.1527485994	-0.119521
+C	-2.3406604711	-0.689441261	 0.8124393608	-0.121402
+O	-1.4799493521	-1.5505094471	 0.0900072457	-0.245446
+C	-0.1351828512	-1.1164696176	 0.1030251312	-0.150055
+C	-3.1945467566	 0.6427473818	-1.1541749312	 0.15778
+O	-4.0113106165	 1.4581631019	-1.4967401616	-0.254251
+H	 2.1111252819	 0.5516707858	 0.4117621514	 0.129103
+H	 1.8676626758	 0.3346711817	-1.3168483452	 0.130937
+H	 1.4985328223	 1.8984985287	-0.5643808852	 0.13051
+H	-0.8884428369	 2.237382022	-0.3594849615	 0.098202
+H	-2.925831089	 1.406782028	 0.8096947207	 0.095518
+H	-2.0001981263	-0.5765072836	 1.8541274089	 0.099927
+H	-3.3187263943	-1.1798800154	 0.8269001186	 0.116759
+H	 0.3422133358	-1.367509152	 1.0688500998	 0.101014
+H	 0.3805957867	-1.7067561022	-0.6638273829	 0.119943
+H	-2.9256585153	-0.2235953815	-1.7979057179	 0.089927
+19
+0 2537	2.5573176	1.2550646	0.8939106	3.2293	79.67	-0.23736	-0.0284	0.20895999999999998	1307.2534	0.155727	-422.574774	-422.565671	-422.564726	-422.609565	32.717
+C	 1.3564244984	 0.8136066451	-0.2397815486	-0.476158
+C	-0.0565440298	 0.3112228641	-0.1488336473	 0.299763
+C	-1.1180396804	 1.093270413	-0.348276058	-0.178596
+C	-2.5371737815	 0.5997336338	-0.2047235848	 0.004063
+O	-2.6356315919	-0.6983097928	 0.3404084414	-0.270776
+C	-1.6697277625	-1.5989275799	-0.1795900751	-0.083326
+C	-0.253039328	-1.1518114052	 0.178388275	-0.294493
+C	-3.3086648904	 1.5275536796	 0.7357358851	 0.134821
+O	-3.5450915024	 2.6791219546	 0.4870169595	-0.248375
+H	 1.8949994665	 0.6388823748	 0.7007119651	 0.127765
+H	 1.9151909297	 0.2823667294	-1.0208874128	 0.124997
+H	 1.3928278629	 1.8838601048	-0.4585909758	 0.126493
+H	-1.0176468546	 2.1432308738	-0.6073651485	 0.107425
+H	-3.0460009608	 0.651454691	-1.1858869001	 0.101675
+H	-1.9050707851	-2.5759048221	 0.2507301102	 0.110953
+H	-1.7728707413	-1.6751480392	-1.2737542538	 0.095413
+H	-0.0577973864	-1.3276198421	 1.2452555662	 0.117418
+H	 0.4750728136	-1.7632974971	-0.3708826267	 0.10403
+H	-3.6197769059	 1.0355732846	 1.6828358192	 0.096908
+19
+0 2538	2.7696397	1.5072871	1.1630581	2.6311	76.62	-0.22128	0.01577	0.23705	1098.6897	0.155129	-422.541252	-422.532338	-422.531394	-422.573989	34.758
+C	 0.4297555657	 0.0153750258	 1.5370719309	-0.520432
+C	-0.0261098394	 0.0226306633	 0.1206197821	 0.28555
+C	 0.1676151732	-0.8087723904	-0.9071957929	-0.31023
+C	-0.5866865715	-0.1238929733	-2.0642107464	 0.384792
+O	-0.5441299794	-0.6680746146	-3.3429365186	-0.481073
+C	-1.9214455246	 0.2836061791	-1.3364726859	-0.344741
+C	-0.8887862771	 1.1403617806	-0.5190717817	 0.318057
+O	-1.2334662969	 2.2566688886	 0.2378275359	-0.479618
+C	-0.1368846283	 1.3552386564	-1.8676278544	-0.273181
+H	 1.0714248805	-0.8449148539	 1.7455970246	 0.128337
+H	 0.9858406674	 0.9299527005	 1.7757730924	 0.139778
+H	-0.4164065454	-0.0216374355	 2.2368065137	 0.116762
+H	 0.7317794176	-1.7303721545	-0.9707890613	 0.096401
+H	-0.8659843308	-1.574667889	-3.2961825799	 0.278803
+H	-2.5814685797	 0.8926384975	-1.9611977596	 0.099636
+H	-2.4695387527	-0.4981728742	-0.8037206723	 0.080445
+H	-1.8251824917	 1.9763422324	 0.9440834356	 0.28036
+H	-0.6517388694	 2.0530139752	-2.5342192829	 0.102854
+H	 0.9352811324	 1.5540746261	-1.8236095292	 0.097501
+19
+0 2539	2.8531844	1.369391	1.1182775	1.9707	77.43	-0.22159	0.01869	0.24028	1152.7154	0.155231	-422.559871	-422.550855	-422.54991	-422.592744	34.939
+C	 1.2598446698	 0.7251754758	-1.1377557614	-0.485895
+C	-0.0233663513	 0.2098112073	-0.5673559592	 0.315046
+C	-1.1570852095	 0.8952402445	-0.3716993979	-0.248482
+C	-2.1961649542	 0.0599343146	 0.2977854138	 0.274606
+O	-3.5238747634	 0.0827965784	-0.1454805897	-0.474036
+C	-1.8743618324	-0.4236269893	 1.7046742595	-0.400287
+C	-1.5565547204	-1.2937236308	 0.502676983	 0.391635
+O	-2.3051818912	-2.4491689617	 0.3035094298	-0.484315
+C	-0.1582445719	-1.2326665802	-0.0974318816	-0.375125
+H	 2.0745326024	 0.6707708959	-0.4043566401	 0.126177
+H	 1.5778736772	 0.1236378355	-1.9989330793	 0.126652
+H	 1.167074867	 1.7650335775	-1.4625370483	 0.123855
+H	-1.3132940682	 1.9383063996	-0.6256824876	 0.087627
+H	-4.0494132801	 0.5977638958	 0.4745416929	 0.290455
+H	-1.0858618146	 0.0743552111	 2.2602251759	 0.109023
+H	-2.7122962695	-0.7829457485	 2.2951205905	 0.108926
+H	-3.1409951983	-2.1649399939	-0.0920231721	 0.287937
+H	 0.6239188781	-1.5010386447	 0.6238848684	 0.110012
+H	-0.0733023196	-1.9392983068	-0.9330752966	 0.116191
+19
+0 2540	2.7302149	1.4373577	1.1027944	1.8199	78.4	-0.2284	0.01384	0.24223999999999998	1152.5129	0.155981	-422.543037	-422.534313	-422.533369	-422.575928	33.423
+C	 1.1516879935	 0.562681437	-0.6917725587	-0.481512
+C	-0.1656867738	-0.0622658877	-0.3382503604	 0.295977
+C	-0.3239564265	-1.3415642333	 0.0024065854	-0.239815
+C	-1.6526434138	-1.8596192757	 0.4228539218	 0.326916
+O	-1.6937133456	-2.4714510436	 1.6886139342	-0.462862
+C	-2.6809420715	-2.3141991451	-0.6010915377	-0.362268
+C	-2.8197593561	-0.9830281727	 0.1053092568	 0.051533
+O	-2.5933192914	 0.1660395217	-0.6573517	-0.256555
+C	-1.3812519575	 0.8445276544	-0.3630528214	-0.159673
+H	 1.3645342635	 1.4244022485	-0.0455760675	 0.129034
+H	 1.9742974116	-0.1493866725	-0.5861135756	 0.124952
+H	 1.1512344974	 0.9397886764	-1.7226149939	 0.128186
+H	 0.5203975261	-2.028164435	 0.0231532973	 0.077677
+H	-1.3365987474	-3.3617273602	 1.5952846148	 0.28176
+H	-2.4076315441	-2.281669911	-1.6494602503	 0.120308
+H	-3.354018094	-3.111224037	-0.3029602064	 0.110184
+H	-3.5919050416	-0.8818578471	 0.865217972	 0.100255
+H	-1.2739149831	 1.601057863	-1.1479799464	 0.111783
+H	-1.4558764455	 1.3860144597	 0.5966899361	 0.104119
+19
+0 2541	2.9417628	1.5686744	1.3177201	1.7897	75.98	-0.23599	0.01073	0.24672	1051.375	0.156822	-422.566452	-422.558291	-422.557347	-422.598621	31.755
+C	 1.3139490726	 0.7949396876	 0.2465414256	-0.510252
+C	-0.0489929227	 0.2324834732	 0.0380905043	 0.370425
+C	-1.2579928839	 0.8001725209	 0.0547394161	-0.273721
+C	-2.2605669423	-0.3455813899	-0.0536345196	 0.311932
+C	-3.640783899	-0.0795575336	-0.5954205086	-0.49427
+C	-2.1494462052	-1.1142320825	 1.3082461096	-0.098155
+O	-0.83383152	-1.6714155787	 1.2397394545	-0.27574
+C	-0.3656615401	-1.2629648116	-0.0712095441	 0.050936
+O	-1.522035901	-1.2945697975	-0.8646653914	-0.256167
+H	 1.7776980801	 0.3612210471	 1.14138932	 0.141124
+H	 1.9768400288	 0.5622589228	-0.5962232556	 0.130561
+H	 1.2873543565	 1.8808118954	 0.3701368804	 0.128278
+H	-1.5170496994	 1.8327994255	 0.2496707233	 0.09981
+H	-4.1838873776	 0.6042238381	 0.0644939483	 0.122913
+H	-3.581728374	 0.375418059	-1.5877666344	 0.135209
+H	-4.2100102263	-1.0103699523	-0.6718517351	 0.13076
+H	-2.2495465805	-0.4600010378	 2.1804201622	 0.098743
+H	-2.8896413312	-1.921052955	 1.3605496564	 0.102406
+H	 0.4005779453	-1.9571444608	-0.413382492	 0.08521
+19
+0 2542	3.0337037	1.5466247	1.3241561	1.8405	75.99	-0.23241	0.01101	0.24342	1049.5553	0.156683	-422.568374	-422.560203	-422.559259	-422.600549	31.823
+C	 1.1114659593	 1.2504030725	 0.2336457835	-0.508259
+C	-0.1028253385	 0.3974168589	 0.0924074164	 0.337971
+C	-0.3228659864	-0.8822580906	 0.4063291513	-0.245897
+C	-1.8183771062	-1.1041780503	 0.1835643503	 0.458999
+C	-2.3747322643	-2.4887130764	 0.0162039937	-0.491643
+O	-2.4925757452	-0.418885644	 1.2859506937	-0.307028
+C	-2.3286209917	 0.967064381	 0.987928849	-0.086891
+C	-1.480951274	 0.9111835367	-0.3242051023	-0.088572
+O	-2.0839027792	-0.2481741418	-0.9153105629	-0.259567
+H	 0.936511779	 2.0827497216	 0.9276248278	 0.13101
+H	 1.9621334203	 0.6755161569	 0.6088058549	 0.131729
+H	 1.3972430781	 1.6995983026	-0.725838854	 0.131408
+H	 0.3539564532	-1.5955572986	 0.8575115533	 0.104134
+H	-2.2104161554	-3.067329624	 0.9285517758	 0.132381
+H	-3.4480204795	-2.4346428681	-0.1778622375	 0.137578
+H	-1.8808093415	-2.9940198785	-0.8172114395	 0.131402
+H	-3.3060862995	 1.4260593231	 0.8038978233	 0.106602
+H	-1.8244371765	 1.488370446	 1.8092952422	 0.099286
+H	-1.5394979821	 1.7776440831	-0.981363369	 0.085356
+19
+0 2543	2.8463247	1.540224	1.2959307	1.5629	75.99	-0.23597	0.01298	0.24895	1050.7555	0.157311	-422.565704	-422.557581	-422.556637	-422.59776	32.046
+C	 1.2144970086	 0.9206052871	 0.2737013701	-0.514809
+C	-0.0921585946	 0.2478026583	 0.0195437592	 0.363981
+C	-1.3292759242	 0.7565659116	-0.0517335182	-0.281152
+C	-2.3044778605	-0.4093820798	-0.1462515931	 0.343153
+O	-3.6001173227	-0.1699029723	-0.6204456196	-0.492892
+C	-2.2025598628	-1.1510988473	 1.2303859685	-0.115346
+O	-0.870845015	-1.6682976786	 1.2420225028	-0.275429
+C	-0.2827482968	-1.2672758956	-0.0359913753	-0.005855
+C	-1.473539346	-1.4008421424	-0.9919390545	-0.251911
+H	 1.6482683209	 0.5789024706	 1.2220088214	 0.138889
+H	 1.9462817025	 0.6842592594	-0.508985632	 0.126506
+H	 1.106648286	 2.0078325042	 0.3221420392	 0.124351
+H	-1.6282484241	 1.792119108	 0.0699184696	 0.089004
+H	-4.0216313775	 0.4760115913	-0.0440604594	 0.28064
+H	-2.3595865192	-0.4793862749	 2.0839793114	 0.085678
+H	-2.9313031926	-1.9703780624	 1.2760394012	 0.101165
+H	 0.6018625221	-1.8815090201	-0.1988282798	 0.072336
+H	-1.2826500866	-1.0265016618	-1.9979609249	 0.107822
+H	-1.8910731674	-2.4107231953	-1.0225099766	 0.10387
+19
+0 2544	2.776789	1.4145739	1.1677858	2.7088	77.69	-0.24162	0.00918	0.2508	1128.5543	0.15664	-422.561233	-422.552801	-422.551857	-422.593901	32.405
+C	 1.3356652348	 0.5528727339	 0.2667750543	-0.487935
+C	-0.0562347182	 0.005984753	 0.2474273117	 0.334774
+C	-0.4217941893	-1.2718759619	 0.4005584834	-0.291689
+C	-1.9089723596	-1.4755471172	 0.3334329688	 0.333168
+O	-2.335284198	-2.4841890831	-0.5482101873	-0.473639
+C	-2.6569651591	-1.5035955498	 1.6797250261	-0.106043
+O	-2.9028810937	-0.0830685154	 1.6077860624	-0.296896
+C	-2.4525192619	-0.0137045246	 0.2337804363	 0.059366
+C	-1.2549572139	 0.9191466253	 0.0487445994	-0.328588
+H	 1.4622024055	 1.2721487442	 1.0855872752	 0.134033
+H	 2.0825676049	-0.2360945797	 0.3870757501	 0.125792
+H	 1.5555086529	 1.0981787576	-0.6600087308	 0.127373
+H	 0.2601204032	-2.1001981773	 0.5676425131	 0.090996
+H	-1.7668355319	-2.4566847628	-1.3254103824	 0.276503
+H	-3.5846863505	-2.088072613	 1.6268567278	 0.104066
+H	-2.0886100529	-1.7827087015	 2.5734584233	 0.101306
+H	-3.2854091514	 0.1558483715	-0.4570732455	 0.073224
+H	-1.2325692454	 1.4030532829	-0.937552449	 0.100564
+H	-1.2885492155	 1.7221166879	 0.7949621432	 0.123623
+19
+0 2545	2.859245	1.3399065	1.0047577	1.6408	79.87	-0.23803	0.00829	0.24631999999999998	1212.011	0.156789	-422.542244	-422.533823	-422.532879	-422.575106	31.926
+C	 1.4204020192	 0.2830224934	 0.6702111495	-0.476768
+C	-0.012858552	 0.0282189254	 0.3027818479	 0.257208
+C	-0.93414687	 0.9886292739	 0.1933607696	-0.214958
+C	-2.3492121758	 0.675238697	-0.1088308647	 0.393333
+C	-3.1667125543	 1.5564134014	-0.9607627285	-0.230124
+O	-3.3347239619	 1.5584602126	 0.4578706719	-0.28309
+C	-2.6699718648	-0.801128958	 0.0339066867	-0.181888
+O	-1.652545873	-1.5846596402	-0.5617095464	-0.242128
+C	-0.3965198112	-1.4145105442	 0.064371224	-0.155907
+H	 1.7056265874	-0.2817591423	 1.5672480892	 0.129477
+H	 2.0998172839	-0.0380216061	-0.1297356143	 0.12874
+H	 1.5997187084	 1.3427987881	 0.8672380166	 0.129359
+H	-0.6854364493	 2.0349992714	 0.3510696476	 0.090801
+H	-2.7281315775	 2.4612073362	-1.3803807953	 0.112664
+H	-3.9916476912	 1.1326153548	-1.5332017263	 0.114409
+H	-2.774890254	-1.0375130191	 1.1058564033	 0.100116
+H	-3.606240661	-1.0600547411	-0.4663026044	 0.11281
+H	-0.3658790823	-1.9607526535	 1.0264932449	 0.099476
+H	 0.336811439	-1.8959306796	-0.5937468313	 0.116468
+19
+0 2546	3.9685884	1.0865977	0.9861747	3.1025	79.01	-0.23303	0.01226	0.24528999999999998	1261.2221	0.156306	-422.541178	-422.532559	-422.531615	-422.574836	31.551
+C	 1.4409972091	-0.2474031204	-0.2031607504	-0.492648
+C	 0.0520139255	 0.2980341995	-0.1466097818	 0.28656
+C	-1.1062310353	-0.3474672454	-0.0292112265	-0.270933
+C	-2.2500625349	 0.6155988996	-0.0155475177	 0.340035
+C	-3.319470992	 0.4756263013	 1.1033078854	-0.120024
+O	-4.304789702	 0.0170690402	 0.1576461965	-0.273793
+C	-3.454933982	 0.3439689592	-0.9587229268	-0.120023
+O	-1.653004588	 1.8957443321	-0.1364862785	-0.30817
+C	-0.2366974955	 1.7759301192	-0.2220517484	-0.170132
+H	 2.0561130803	 0.1505265189	 0.6136134648	 0.1328
+H	 1.4470942122	-1.3378109984	-0.1333417148	 0.132245
+H	 1.9405131771	 0.0377332367	-1.1375192841	 0.132816
+H	-1.2467293138	-1.4185757664	 0.0484633904	 0.109831
+H	-3.1288558791	-0.2584810653	 1.8946943668	 0.098889
+H	-3.5810967352	 1.4444337987	 1.5481378564	 0.105364
+H	-3.3629698855	-0.485998235	-1.6688190962	 0.098888
+H	-3.7803303105	 1.2508002919	-1.4847339717	 0.105362
+H	 0.1212885607	 2.2223080796	-1.1633593432	 0.106464
+H	 0.2373496587	 2.3350255041	 0.6002312898	 0.106469
+19
+0 2547	2.8055951	1.4917501	1.2959082	1.8824	76.39	-0.23282	0.00374	0.23656	1067.7922	0.155713	-422.52918	-422.520709	-422.519764	-422.561618	33.245
+C	 1.7137798326	 0.8761414549	-0.3072059545	-0.517551
+C	 0.3345100822	 0.3897632364	-0.0303849421	 0.354287
+C	-0.8697127689	 0.9713082977	-0.136575771	-0.202961
+C	-1.7977465504	-0.1158363741	 0.3750473838	-0.057075
+O	-1.2379865701	-1.3232968723	-0.2640374943	-0.314908
+C	-0.0498692992	-0.9777748707	 0.5316383441	-0.120856
+C	-1.0658662453	-0.6079972581	 1.7002569494	 0.482097
+C	-0.7095910794	 0.3254217782	 2.8369161001	-0.46132
+O	-1.6672751558	-1.7365083706	 2.2639142994	-0.486561
+H	 2.3344611413	 0.8523145537	 0.59764705	 0.131683
+H	 2.218986434	 0.2450547634	-1.0489617974	 0.135378
+H	 1.7063147177	 1.902927153	-0.6832096055	 0.129963
+H	-1.1383512017	 1.9680102563	-0.4556552025	 0.106833
+H	-2.8805540614	-0.0245327469	 0.2946569689	 0.080024
+H	 0.6866144727	-1.7776785217	 0.6161686195	 0.076864
+H	-0.0354281989	-0.1850695351	 3.5314912854	 0.127637
+H	-0.23484293	 1.2407485044	 2.4849996583	 0.121995
+H	-1.6158779227	 0.5858552011	 3.3921086036	 0.129232
+H	-1.8830982966	-2.3099416098	 1.5146898347	 0.28524
+19
+0 2548	2.6986051	1.6882244	1.5238411	2.0038	75.13	-0.25025	-0.001	0.24924999999999997	976.4287	0.159445	-422.564934	-422.557507	-422.556562	-422.596436	29.603
+C	-0.2021953608	-0.9210348349	-0.8678203427	-0.514224
+C	-0.1645875542	 0.0604077593	 0.2553463292	 0.320736
+C	 0.3586433203	-0.0687438972	 1.4794715279	-0.204942
+C	 0.009358166	 1.1640884905	 2.3071218468	 0.077651
+C	-0.087680408	 2.2406517041	 1.212456291	-0.225896
+C	-0.8944174607	 1.4097290454	 0.203568736	 0.028469
+O	-2.2340424271	 1.2827740137	 0.7226539478	-0.280647
+C	-2.2740813474	 0.6091380994	 1.9682312164	 0.030077
+O	-1.3056693074	 1.0486082181	 2.8962753962	-0.277953
+H	 0.3185664277	-1.8488002381	-0.6158817365	 0.126708
+H	-1.2384086785	-1.1677413713	-1.1301443852	 0.141869
+H	 0.2563270621	-0.5045815243	-1.77367071	 0.129868
+H	 0.8546867634	-0.9468724913	 1.8764381616	 0.097486
+H	 0.683563856	 1.3812186989	 3.1362909988	 0.075895
+H	-0.6201007716	 3.133660282	 1.5448850888	 0.105721
+H	 0.897330163	 2.5070233328	 0.8195163361	 0.096372
+H	-1.0047485792	 1.8371766878	-0.7948985765	 0.072472
+H	-3.2512894093	 0.8235471205	 2.406745957	 0.115493
+H	-2.1693925842	-0.4738548553	 1.8061742075	 0.084843
+19
+0 2549	2.6798351	1.7116379	1.5103677	2.2133	75.03	-0.24541	0.00875	0.25416	981.5399	0.159172	-422.570775	-422.563268	-422.562324	-422.602369	29.751
+C	 1.2129280696	 1.6094281047	 1.3826299774	-0.507698
+C	 0.2667989677	 0.5131855719	 1.0294046579	 0.328692
+C	 0.1235066879	-0.7134927312	 1.5286060813	-0.219765
+C	-1.0945401505	-1.3446879296	 0.8685036557	 0.032214
+C	-2.3872378286	-1.0026215751	 1.6362062186	-0.218568
+C	-2.4508823132	 0.529233051	 1.8374604966	-0.072262
+O	-2.0203880155	 1.2754504626	 0.6926436934	-0.267818
+C	-0.8938140457	 0.7007702624	 0.0450889458	 0.083727
+O	-1.1926088473	-0.6125897223	-0.3658859106	-0.240927
+H	 1.9092889101	 1.3076336094	 2.1693839877	 0.126486
+H	 1.79852627	 1.9261157758	 0.5103689824	 0.131956
+H	 0.6643631415	 2.4943326985	 1.7282375906	 0.141401
+H	 0.6916526689	-1.172019488	 2.3283861339	 0.100474
+H	-1.0036344343	-2.4096062426	 0.6418781736	 0.08094
+H	-3.2340028115	-1.350780648	 1.0369584881	 0.114477
+H	-2.4340014246	-1.4971511954	 2.6132616709	 0.096172
+H	-3.4756662868	 0.8548551539	 2.0342638954	 0.109345
+H	-1.8405195294	 0.8036622621	 2.7080658072	 0.096482
+H	-0.7007756381	 1.3250357999	-0.8295652463	 0.084671
+19
+0 2550	2.6966528	1.6763865	1.4992433	1.1082	75.7	-0.22641	0.01593	0.24234	987.9364	0.15884	-422.560946	-422.553397	-422.552452	-422.592594	29.781
+C	-3.68027891	 1.5494145513	-1.4335203146	-0.505906
+C	-2.7984839294	 0.5455716465	-0.7708012083	 0.360469
+C	-3.0111674758	-0.7408373203	-0.5007476641	-0.196272
+C	-1.8177904664	-1.2521084309	 0.2901824288	 0.010417
+C	-2.0029568284	-0.9881239608	 1.7965758913	-0.073344
+O	-2.3761283619	 0.3667171625	 2.027938899	-0.259123
+C	-1.5971734626	 1.3172099469	 1.3101033398	-0.076751
+C	-1.4384030011	 0.890487201	-0.1612793352	-0.045262
+O	-0.7633557698	-0.3720428734	-0.1299475562	-0.264777
+H	-3.9285510292	 2.3716292463	-0.7501519231	 0.133277
+H	-3.1861302829	 2.0032474578	-2.3018774422	 0.129058
+H	-4.6179046695	 1.0994641809	-1.7699358957	 0.129743
+H	-3.9023825425	-1.3184434255	-0.7096649317	 0.099152
+H	-1.5192980634	-2.2861583209	 0.0951264147	 0.080527
+H	-2.802168632	-1.5996803306	 2.2277146962	 0.105182
+H	-1.056787863	-1.2251980213	 2.3076726234	 0.095196
+H	-2.1186328699	 2.2748737878	 1.4121960115	 0.104587
+H	-0.5918796923	 1.4130790962	 1.7492270867	 0.096516
+H	-0.8357220599	 1.6074552066	-0.7279194302	 0.077309
+19
+0 2551	2.7127849	1.6628841	1.5019542	2.6398	74.71	-0.24454	0.00703	0.25157	986.0743	0.159229	-422.570516	-422.563032	-422.562088	-422.6021	29.715
+C	 1.2772429138	 0.9224049864	 0.6548789626	-0.506827
+C	-0.0576791452	 0.3128255157	 0.3855503626	 0.326246
+C	-1.2648470837	 0.8733474799	 0.3223436723	-0.224767
+C	-2.2807902333	-0.2497965741	 0.1526193984	 0.143914
+O	-1.525244537	-1.2599007266	-0.4883861339	-0.241801
+C	-0.2779600546	-1.1925226893	 0.2154168224	-0.018823
+C	-0.5451652439	-1.8670590719	 1.5763847547	-0.224748
+C	-1.6958994275	-1.1157061559	 2.2862437136	-0.071768
+O	-2.7533689377	-0.7313602844	 1.4027648282	-0.26458
+H	 1.735244179	 0.4990937876	 1.557931799	 0.131809
+H	 1.975155657	 0.7242541229	-0.1683247122	 0.133471
+H	 1.2055908613	 2.0047209098	 0.7892427987	 0.131728
+H	-1.5246777469	 1.9118898413	 0.4802534381	 0.103725
+H	-3.1707507076	-0.0300563926	-0.4383439769	 0.088447
+H	 0.4902684467	-1.7052465361	-0.3697851226	 0.07738
+H	-0.8256677516	-2.9062100983	 1.380142517	 0.115941
+H	 0.3399005746	-1.8712924771	 2.2233289561	 0.095545
+H	-2.1599554257	-1.7462811654	 3.0491500806	 0.109131
+H	-1.2925248077	-0.2263053718	 2.7884489413	 0.095977
+19
+0 2552	2.2719089	1.7426892	1.3377821	2.0239	76.06	-0.24135	-0.0037	0.23765	1043.1655	0.155363	-422.558954	-422.550079	-422.549135	-422.591731	34.141
+C	 1.2989749224	 0.8354777636	 0.1615446633	-0.496489
+C	-0.0347808819	 0.1601842778	 0.1706486865	 0.26119
+C	-0.2977705858	-1.1305689295	 0.414722616	-0.216339
+C	-1.7506199351	-1.4219851956	 0.2494155192	-0.001178
+O	-2.2433181373	-1.1535308925	-1.0909512728	-0.25856
+C	-2.3984368448	-0.1488531272	-0.0923376271	-0.02493
+C	-1.3229453364	 0.9476383105	-0.105883546	 0.264077
+C	-1.3073729371	 1.7404741095	-1.4083468156	-0.421913
+O	-1.5719509193	 1.8890679257	 0.9424102554	-0.462559
+H	 1.2706323963	 1.7508797899	 0.7631007784	 0.136481
+H	 2.0819871142	 0.1809555287	 0.5531613714	 0.12362
+H	 1.5878101167	 1.1339067482	-0.8538954838	 0.137353
+H	 0.4403953505	-1.8875866543	 0.6537582859	 0.100725
+H	-2.2462914279	-2.2412745554	 0.7604376123	 0.098595
+H	-3.4167063614	 0.1220550624	 0.1777644646	 0.097796
+H	-1.2084711519	 1.0603015891	-2.2568432833	 0.138403
+H	-2.2405061823	 2.3022103166	-1.5081914831	 0.125453
+H	-0.4802069796	 2.4552146406	-1.4185733295	 0.120442
+H	-1.5037695096	 1.413316122	 1.7782274879	 0.277833
+19
+0 2553	2.6407417	1.5436489	1.1182648	1.7909	76.58	-0.2457	-0.00388	0.24182	1118.6282	0.157512	-422.529931	-422.521724	-422.52078	-422.562405	31.383
+C	 3.4289242252	 1.9613940737	-3.0879469206	-0.486237
+C	 2.7311003824	 1.0376306695	-2.1305324295	 0.298071
+C	 2.5425117245	 1.3310754312	-0.8401886566	-0.186198
+C	 1.8156287622	 0.4130374442	 0.080881611	 0.015701
+O	 0.5342984445	 0.8393768353	 0.5737868112	-0.25338
+C	 0.5715406249	-0.2353105081	-0.3708776189	 0.005917
+C	 0.0322427399	 0.1074217477	-1.7508381492	-0.086678
+O	 0.8080487219	-0.3932345355	-2.8294404253	-0.259847
+C	 2.2247359291	-0.2878670553	-2.6892262797	-0.154959
+H	 3.7481338593	 2.8871940662	-2.602342614	 0.124732
+H	 4.312833625	 1.4824157197	-3.5282325838	 0.128436
+H	 2.7672139461	 2.2201658461	-3.9243329084	 0.137599
+H	 2.9124075671	 2.2647348856	-0.4214450497	 0.094114
+H	 2.412948383	-0.0885306047	 0.8448534301	 0.098539
+H	 0.3118232051	-1.2097607572	 0.041628886	 0.095327
+H	-0.9665007969	-0.3161848767	-1.894935833	 0.110308
+H	-0.0531875774	 1.2003848846	-1.7962130635	 0.109039
+H	 2.5973987594	-1.1110105055	-2.0629647186	 0.101495
+H	 2.6154509747	-0.4469102508	-3.6983500977	 0.108018
+19
+0 2554	3.1179413	1.5027147	1.3294991	1.4563	76.38	-0.23631	0.01585	0.25216	1041.684	0.158984	-422.578984	-422.571451	-422.570507	-422.610732	29.651
+C	 0.8404397441	 1.714551897	 1.4374686734	-0.476395
+C	-0.2856289207	 0.8374158381	 0.9718798826	 0.317317
+C	-1.4094439215	 1.3076536901	 0.4242908381	-0.162787
+C	-2.4788616776	 0.3458396429	-0.0373778111	-0.001277
+C	-3.2865862776	-0.2159550342	 1.1488694918	-0.079131
+O	-2.4080057448	-1.2180070706	 1.6650604809	-0.27992
+C	-1.3741799821	-1.4068167652	 0.6954781065	 0.181075
+C	-0.1059757158	-0.6591771741	 1.1295923644	-0.310876
+O	-1.8666255799	-0.8651356494	-0.5069816182	-0.248257
+H	 1.0375017167	 1.5708621967	 2.507530367	 0.126256
+H	 1.7735767195	 1.4684134384	 0.9142399073	 0.125667
+H	 0.6242119355	 2.7729421546	 1.268678072	 0.121074
+H	-1.585081927	 2.3738826565	 0.3134202023	 0.082398
+H	-3.0964356212	 0.7481354096	-0.8418903272	 0.088508
+H	-3.4914689736	 0.5251366284	 1.9267338531	 0.107863
+H	-4.2288157994	-0.6692708054	 0.8137089793	 0.098947
+H	-1.2047137668	-2.4784344724	 0.5535875051	 0.086428
+H	 0.1094121744	-0.9119201061	 2.1752498467	 0.116032
+H	 0.7557103276	-1.003703375	 0.5402503061	 0.107078
+19
+0 2555	3.0995467	1.4971466	1.3284629	2.1463	75.57	-0.23455	0.01157	0.24612	1041.9239	0.159055	-422.576866	-422.569324	-422.56838	-422.608664	29.626
+C	 1.5701393633	 0.5437616166	 0.6431891475	-0.4763
+C	 0.1703775772	 0.0282468833	 0.4741665395	 0.294043
+C	-0.1501923929	-1.267861701	 0.4908194766	-0.15231
+C	-1.5965172839	-1.6920257948	 0.3234081701	 0.135867
+O	-1.9525717952	-1.7436741261	-1.0557342773	-0.260546
+C	-2.2218606886	-0.3847675946	-1.4084917406	-0.100437
+C	-2.2594186651	 0.3627911773	-0.0434652736	 0.037397
+C	-0.9316059976	 1.0554351836	 0.2910774722	-0.301864
+O	-2.4558127924	-0.7158981389	 0.8738532687	-0.243945
+H	 1.6366909004	 1.2225864899	 1.5034380541	 0.126313
+H	 2.2840002321	-0.270026429	 0.7949940037	 0.124377
+H	 1.8901135317	 1.1215681768	-0.2333513529	 0.124407
+H	 0.6038840219	-2.0428423645	 0.5899334103	 0.087411
+H	-1.8202913471	-2.6611027886	 0.7738674118	 0.090147
+H	-1.4431127456	 0.0108249599	-2.0716596595	 0.100091
+H	-3.1841945113	-0.3477836883	-1.9283553792	 0.110843
+H	-3.1081924035	 1.0437176909	 0.044670367	 0.085917
+H	-0.6647269902	 1.7595313926	-0.5088816282	 0.105244
+H	-1.0379513533	 1.6570810149	 1.2046985597	 0.113346
+19
+0 2556	2.4364681	1.8233194	1.4284215	1.7637	75.36	-0.23455	0.01278	0.24733	991.1888	0.157364	-422.566379	-422.558267	-422.557323	-422.598399	31.992
+C	 1.2279900927	 0.6590912271	-0.4867101049	-0.529291
+C	-0.1266488149	 0.1257430337	-0.1642896457	 0.290403
+C	-0.5259861858	-1.116146612	 0.1412694866	-0.195734
+C	-1.9950068599	-1.0160711264	 0.5124867836	 0.055329
+C	-2.4788158659	 0.069271964	-0.460174508	-0.250514
+C	-1.3561950065	 1.023634902	 0.0000087425	 0.273553
+O	-1.3456140841	 2.2776543452	-0.6254892268	-0.492374
+C	-1.6721205972	 1.0203274219	 1.534273248	-0.121211
+O	-2.0818295207	-0.319069749	 1.7998011797	-0.275431
+H	 1.5804359445	 1.3580162554	 0.2848730002	 0.121904
+H	 1.9660703171	-0.1429440215	-0.5670313384	 0.132159
+H	 1.2141136323	 1.2156682579	-1.4311778908	 0.138396
+H	 0.0906373793	-2.0005748898	 0.2442315856	 0.096846
+H	-2.5644191174	-1.9388597422	 0.6003008131	 0.076008
+H	-2.3881039674	-0.2036194909	-1.5118830189	 0.107498
+H	-3.4841339361	 0.43547386	-0.2359315127	 0.103678
+H	-0.67883254	 2.8280475586	-0.2013174494	 0.282186
+H	-0.7987517003	 1.2848701931	 2.1456709926	 0.085815
+H	-2.4881030195	 1.721546663	 1.7521761638	 0.100779
+19
+0 2557	2.4112927	1.9167737	1.4751378	1.4668	75.59	-0.23451	0.01184	0.24634999999999999	985.2834	0.156795	-422.569084	-422.560955	-422.560011	-422.601164	31.765
+C	 0.7153985625	 1.5044734472	 1.2997873407	-0.510993
+C	-0.336087718	 0.6708830836	 0.6525922634	 0.342547
+C	-1.6228877402	 0.9250532705	 0.3986828191	-0.222728
+C	-2.199854974	-0.3901883222	-0.0956335934	-0.03363
+C	-2.2178220882	-1.3458918524	 1.1412030606	-0.081771
+O	-0.8219093327	-1.5474322835	 1.3684457145	-0.307264
+C	-0.1716577271	-0.8156960181	 0.2828352911	 0.377105
+C	 1.1856602735	-1.396639969	 0.0068618643	-0.499784
+O	-1.0800150448	-0.9706968026	-0.7872122667	-0.258599
+H	 1.0512041841	 1.0446547511	 2.2379831663	 0.139466
+H	 1.6026550665	 1.6059539046	 0.6631433488	 0.130268
+H	 0.3447020633	 2.5071258237	 1.5288646685	 0.127614
+H	-2.1930204585	 1.8139208535	 0.6337807178	 0.100969
+H	-3.092963028	-0.3780652202	-0.7170296225	 0.087836
+H	-2.6963496322	-0.9036751059	 2.0211932156	 0.099907
+H	-2.696084275	-2.3008511475	 0.8971191867	 0.106118
+H	 1.8131388779	-1.3246942353	 0.8985612176	 0.132321
+H	 1.0845825252	-2.4489860524	-0.2663651218	 0.139775
+H	 1.6695749857	-0.857580935	-0.8114189806	 0.130843
+19
+0 2558	2.4284819	1.8622969	1.4487189	2.2606	75.01	-0.23399	0.00969	0.24368	992.435	0.156929	-422.566317	-422.558185	-422.557241	-422.59843	31.678
+C	 1.2597245282	 0.9215477577	 0.149910892	-0.510383
+C	-0.0465361986	 0.2192157619	-0.0065737885	 0.306395
+C	-0.3793747049	-1.0574567563	 0.2048424845	-0.208379
+C	-1.8936065744	-1.0909659798	 0.0618671145	 0.123483
+O	-2.4432270289	-0.4661266097	 1.2520591555	-0.276312
+C	-2.1470167193	 0.9181209091	 1.06250745	-0.103326
+C	-1.3823012629	 0.9186631086	-0.3072909111	 0.241817
+C	-1.3935763476	 2.1939521982	-1.1099062335	-0.499342
+O	-2.1331098181	-0.1379013334	-0.9465514002	-0.256217
+H	 1.2079752424	 1.6934084587	 0.9289173622	 0.130771
+H	 2.0544672518	 0.2231373735	 0.4244539171	 0.131687
+H	 1.557347306	 1.4313794471	-0.7744571294	 0.132124
+H	 0.2419631544	-1.869806094	 0.5566044386	 0.105942
+H	-2.4081012493	-2.0320048467	-0.1199344431	 0.089673
+H	-3.0798999654	 1.487941591	 0.9819673949	 0.102674
+H	-1.5473120101	 1.30714523	 1.8927121243	 0.097813
+H	-0.8642049994	 2.9902159107	-0.5774616208	 0.123572
+H	-0.907779117	 2.045747871	-2.078404291	 0.134413
+H	-2.421394527	 2.5231724824	-1.2861749962	 0.133595
+19
+0 2559	2.6794508	1.6061149	1.5850857	1.4556	75.82	-0.24108	0.00859	0.24967	984.3753	0.158875	-422.560385	-422.552786	-422.551842	-422.592089	29.862
+C	 0.6477049794	 1.4780620253	 1.0108019984	-0.509683
+C	-0.4264238446	 0.4980098373	 0.6622734779	 0.357975
+C	-0.435274769	-0.8194815531	 0.8852316162	-0.191788
+C	-1.7050891317	-1.478124312	 0.4078359008	 0.027576
+C	-1.8647457367	-1.1742858805	-1.0916583084	-0.066397
+O	-1.8547548464	 0.2437540436	-1.2752847055	-0.276605
+C	-1.7086692189	 0.9331443824	-0.0204922084	-0.030283
+C	-2.8918631011	 0.5173897175	 0.8703191498	-0.069913
+O	-2.8443591063	-0.894946632	 1.0737336657	-0.277311
+H	 0.2725185465	 2.2637848109	 1.6790449258	 0.12833
+H	 1.4912659774	 0.9883872341	 1.5052114042	 0.126476
+H	 1.0226817812	 1.9848014233	 0.1126510491	 0.134898
+H	 0.3711099135	-1.3779036931	 1.3483183025	 0.091998
+H	-1.751344481	-2.5491399078	 0.6081812627	 0.079724
+H	-1.0515857735	-1.625211086	-1.6756795736	 0.096698
+H	-2.823357001	-1.5719512715	-1.448459356	 0.102647
+H	-1.7381449376	 1.9993506003	-0.2535880548	 0.077236
+H	-2.8556038283	 1.03311042	 1.8398578414	 0.095297
+H	-3.8345367818	 0.7727496715	 0.3695524521	 0.103124
+19
+0 2560	2.652452	1.6284294	1.6139771	2.0707	75.65	-0.23318	0.01465	0.24783	978.9206	0.159176	-422.569173	-422.561626	-422.560681	-422.600834	29.697
+C	-0.4619803708	 1.0982603588	-2.382093265	-0.508816
+C	-0.9340108401	 0.3037228674	-1.2079363072	 0.362645
+C	-1.3131091107	-0.9762369359	-1.1749582694	-0.209623
+C	-1.7258445701	-1.4192750937	 0.2074527801	-0.127369
+C	-0.5325862703	-1.147802735	 1.1495561564	-0.056595
+O	-0.1867921525	 0.2394976395	 1.0786309387	-0.264761
+C	-1.0350052153	 0.9311698132	 0.1728081542	 0.091142
+O	-2.3795810557	 0.8773534446	 0.6284455091	-0.264761
+C	-2.8537756016	-0.4725959277	 0.6729365813	-0.056596
+H	-0.4487585492	 0.4940388787	-3.2935123029	 0.124717
+H	-1.108136715	 1.9675463356	-2.5581286924	 0.133682
+H	 0.5503061598	 1.4879080374	-2.2160134058	 0.13364
+H	-1.3301190421	-1.6404093791	-2.0326610867	 0.088708
+H	-2.0409574383	-2.4630678471	 0.2634110861	 0.074445
+H	-0.8022550811	-1.3837146053	 2.1876981046	 0.100185
+H	 0.3398780553	-1.7505566804	 0.868235771	 0.098371
+H	-0.7375669019	 1.9797645759	 0.2097757039	 0.082433
+H	-3.14500825	-0.7022801543	 1.7066397247	 0.100185
+H	-3.7385724806	-0.5641377826	 0.0307476794	 0.098366
+19
+0 2561	2.7108792	1.5884076	1.5819522	2.6058	75.22	-0.23204	0.01337	0.24541	984.4302	0.159101	-422.569222	-422.561675	-422.560731	-422.60091	29.701
+C	 1.3953648068	 0.6761922892	-0.1281235706	-0.508994
+C	-0.0178430095	 0.5283776246	 0.3387582082	 0.328102
+C	-1.1315442222	 0.8633755582	-0.3183460134	-0.185624
+C	-2.3846477147	 0.5671979069	 0.4702534584	 0.159406
+O	-2.3710461298	 1.2991075037	 1.6913258263	-0.26551
+C	-1.2001175556	 0.9944134613	 2.4527758343	-0.05904
+C	-0.3570364758	-0.0555928356	 1.6958168861	-0.181304
+C	-1.2923486273	-1.2619351072	 1.4587775925	-0.059046
+O	-2.4579422665	-0.825712027	 0.7553296575	-0.265504
+H	 1.9743111205	 1.3133128991	 0.5526182437	 0.12846
+H	 1.9078390688	-0.2938834996	-0.1573719392	 0.128493
+H	 1.4423199773	 1.1159773368	-1.1281507338	 0.128127
+H	-1.1704776141	 1.3015029117	-1.3091457014	 0.097399
+H	-3.313014916	 0.8281734974	-0.0359902689	 0.086092
+H	-0.6278910694	 1.915847862	 2.6215871514	 0.097179
+H	-1.5139026042	 0.5961323556	 3.4268960843	 0.100994
+H	 0.5200806713	-0.3480647487	 2.2783342868	 0.072598
+H	-0.7898277659	-2.0451762255	 0.8765480725	 0.097176
+H	-1.6073382437	-1.6904176828	 2.4196000455	 0.100997
+19
+0 2562	2.8349505	1.4062575	1.1473713	0.9599	76.89	-0.23917	0.01346	0.25263	1133.0093	0.156618	-422.558475	-422.550032	-422.549088	-422.591366	32.32
+C	 1.221765489	 0.9957057278	-0.9339492957	-0.487015
+C	-0.0679756115	 0.3724431831	-0.5033396532	 0.31716
+C	-1.2590410827	 0.9752232271	-0.4036026034	-0.181999
+C	-2.32783258	 0.043124303	 0.07456342	 0.015763
+O	-2.6508268102	 0.172721648	 1.4918585038	-0.295215
+C	-1.910573828	-1.0195026889	 1.8189920497	-0.136918
+C	-1.5835169777	-1.3028985037	 0.3301779281	 0.353362
+O	-2.0849977169	-2.4957853653	-0.2151444581	-0.482286
+C	-0.1352759851	-1.0958206507	-0.1310259768	-0.354853
+H	 1.9808501793	 0.910400313	-0.146043193	 0.129121
+H	 1.631178532	 0.4852716818	-1.8149227802	 0.129516
+H	 1.0989419839	 2.0542084791	-1.177041351	 0.127048
+H	-1.4419350569	 2.0215769204	-0.6239998552	 0.092568
+H	-3.2417026006	 0.0303654168	-0.5315424826	 0.072734
+H	-1.0507346847	-0.8137178058	 2.4694170982	 0.099984
+H	-2.5419740942	-1.7823755451	 2.2953205892	 0.091154
+H	-3.0019919472	-2.5963895864	 0.0625447261	 0.282962
+H	 0.596567108	-1.3584568055	 0.6436513598	 0.105704
+H	 0.0737675834	-1.7427676688	-0.9922483557	 0.121209
+19
+0 2563	2.9577734	1.4510454	1.1494563	1.5551	77.08	-0.24088	0.00762	0.2485	1115.9517	0.157942	-422.540679	-422.532609	-422.531665	-422.573363	30.54
+C	 1.1619740983	 0.9952327818	-1.2625729083	-0.47541
+C	-0.1177384405	 0.410676789	-0.7346386475	 0.276204
+C	-1.2501714578	 1.1069242755	-0.6140692576	-0.159649
+C	-2.4880246697	 0.5211796334	-0.0167293319	 0.035937
+O	-2.6644351826	 0.8924182925	 1.3886507272	-0.292355
+C	-2.2196360788	-0.4052936163	 1.8349928804	-0.123447
+C	-2.3217304666	-0.9583465867	 0.3922715526	 0.076827
+O	-1.2874556745	-1.6979236394	-0.1900463773	-0.259932
+C	-0.0404747247	-1.0351778715	-0.3090293758	-0.160008
+H	 1.9781491388	 0.8810704896	-0.5374910683	 0.12911
+H	 1.4842047589	 0.4833445446	-2.1782513602	 0.129535
+H	 1.0526818291	 2.0596864239	-1.4838025155	 0.129276
+H	-1.2848316726	 2.1523458904	-0.912465746	 0.088292
+H	-3.3847963979	 0.7835771755	-0.588894913	 0.078819
+H	-1.1996055827	-0.3797899573	 2.2416549469	 0.099571
+H	-2.8926775423	-0.83831427	 2.5825393991	 0.10595
+H	-3.227389982	-1.5478737216	 0.2395483645	 0.098685
+H	 0.5253969659	-1.0999919807	 0.6376308533	 0.105865
+H	 0.5288209917	-1.6138205426	-1.0463403726	 0.11673
+19
+0 2564	3.3146614	1.3464467	1.1687503	2.0329	76.49	-0.24766	0.01475	0.26241	1116.3521	0.158638	-422.578309	-422.570411	-422.569466	-422.611009	29.882
+C	 1.279534543	 0.4937119722	-0.8796011769	-0.4884
+C	-0.0714741891	-0.0370572769	-0.5179531926	 0.320509
+C	-0.3640506658	-1.2535512292	-0.0501732804	-0.204868
+C	-1.8349782977	-1.4493263617	 0.2048932125	 0.041878
+O	-2.1690428071	-1.7016120445	 1.5739338396	-0.250639
+C	-2.2917457639	-0.4325223164	 2.1610555602	 0.014146
+O	-2.8858065273	 0.4102460706	 1.1946761357	-0.262018
+C	-2.4553515362	-0.0458056865	-0.0867887674	 0.074014
+C	-1.3173292222	 0.8074987234	-0.6891417232	-0.320511
+H	 1.5134161323	 1.3948697467	-0.2989963972	 0.130611
+H	 2.0671751857	-0.2431370341	-0.7025139891	 0.126871
+H	 1.316745683	 0.7886049567	-1.9360130371	 0.128636
+H	 0.358208723	-2.039015578	 0.143770115	 0.093652
+H	-2.2719711451	-2.268999671	-0.3731328519	 0.088374
+H	-2.9517673405	-0.5038999897	 3.0304803653	 0.11624
+H	-1.3056560783	-0.0383219342	 2.4629727831	 0.082242
+H	-3.3369295961	-0.0794905666	-0.7315951668	 0.085288
+H	-1.4997238004	 1.0269606425	-1.7498201487	 0.106117
+H	-1.2484709572	 1.7752869966	-0.17896493	 0.117857
+19
+0 2565	2.2423703	1.6704341	1.2330783	2.2795	77.36	-0.24592	-0.02559	0.22033	1092.4594	0.154556	-422.601662	-422.592143	-422.591199	-422.635593	35.304
+C	 1.4233774003	 0.712076084	 0.6880230802	-0.497423
+C	 0.1079245865	 0.1300401227	 0.2850202471	 0.309577
+C	-0.1310374625	-1.0960519974	-0.1940309292	-0.190193
+C	-1.5917873294	-1.3734579923	-0.4516794493	-0.376593
+C	-2.2442121397	-0.1519352923	 0.1903454656	 0.356581
+O	-3.3756711129	-0.0384381597	 0.5884265003	-0.328573
+C	-1.1717721573	 0.9402449619	 0.3840694219	 0.20126
+C	-1.2977644421	 2.0072504833	-0.72024769	-0.430631
+O	-1.3150751846	 1.5417076609	 1.660538173	-0.477557
+H	 1.3807329992	 1.0547360942	 1.7276663488	 0.150962
+H	 2.2305096271	-0.0189641126	 0.5913618373	 0.121683
+H	 1.6797045242	 1.5873048227	 0.0784570939	 0.128592
+H	 0.6380669053	-1.8389408333	-0.3769193076	 0.096928
+H	-1.8460183977	-1.4199768152	-1.520515374	 0.136035
+H	-1.9702507117	-2.2985352432	-0.0024510733	 0.136461
+H	-0.5358735594	 2.7778023467	-0.5743500655	 0.129996
+H	-1.1743610084	 1.5771398044	-1.7194027981	 0.116926
+H	-2.283056608	 2.4803245574	-0.6611786828	 0.12673
+H	-2.2629767389	 1.5280454477	 1.8542367615	 0.289239
+19
+0 2566	2.7638866	1.2995495	1.0242757	2.6672	78.74	-0.22941	-0.01399	0.21542	1211.8617	0.156678	-422.576562	-422.567835	-422.566891	-422.610105	32.524
+C	 1.1562673715	 0.7562388485	-0.5097911781	-0.470562
+C	-0.0649771176	-0.0962162486	-0.2789588435	 0.295523
+C	 0.0192476653	-1.3103767185	 0.2725694577	-0.17465
+C	-1.1208724615	-2.2572152039	 0.5943330252	-0.345753
+C	-2.1732376987	-1.5572804046	 1.4466616508	 0.357837
+O	-2.422092474	-1.8519366562	 2.5889318686	-0.29769
+C	-2.9224100891	-0.4152251354	 0.7480566868	-0.183951
+O	-2.5279835217	-0.2088183207	-0.5873502583	-0.231531
+C	-1.3500755305	 0.5555867292	-0.7367758848	-0.16428
+H	 1.0818834759	 1.7123279639	 0.0246226814	 0.127169
+H	 2.0653866778	 0.251722123	-0.1750140663	 0.128823
+H	 1.2755260564	 1.002445855	-1.5728622804	 0.126381
+H	 1.0047962471	-1.6619535165	 0.5671014356	 0.093306
+H	-1.599564063	-2.6149736822	-0.3247732601	 0.136541
+H	-0.7560463431	-3.1188575389	 1.1556488713	 0.120038
+H	-3.9852408396	-0.6813429419	 0.7345417773	 0.140521
+H	-2.8217948522	 0.4973331454	 1.3559189582	 0.121938
+H	-1.2790114482	 0.7812839339	-1.8087411721	 0.121878
+H	-1.4622017246	 1.5292031485	-0.2234096693	 0.09846
+19
+0 2567	3.0732318	1.2314217	0.9652455	4.6083	78.32	-0.23731	0.00268	0.23998999999999998	1242.7017	0.157132	-422.591902	-422.583094	-422.58215	-422.625741	32.413
+C	 1.2955261065	 0.5852928967	 0.2533112787	-0.484032
+C	-0.1908250023	 0.3728226199	 0.2124593215	 0.332761
+C	-1.0341075028	 1.1986281402	-0.4062658368	-0.172592
+C	-2.5292951675	 0.9892416883	-0.4117772015	-0.377987
+C	-3.0595150536	-0.2636906454	-1.1066173208	 0.398557
+O	-3.9490975891	-0.2101451029	-1.9121641121	-0.307282
+O	-2.6147008473	-1.4892343973	-0.7310499135	-0.233364
+C	-1.3616670175	-1.8414434085	-0.1237837044	-0.04325
+C	-0.7447014527	-0.8690983417	 0.880520829	-0.325818
+H	 1.6526503747	 0.6602886338	 1.2887199556	 0.128206
+H	 1.8319581567	-0.2597157059	-0.197990183	 0.126701
+H	 1.5891360228	 1.4954912122	-0.2757287091	 0.126703
+H	-0.6604739018	 2.0807694899	-0.9182618164	 0.095599
+H	-2.9040858503	 0.9492585371	 0.6222580517	 0.134167
+H	-3.0388547805	 1.819875703	-0.8998276699	 0.135806
+H	-1.5742157845	-2.7963640943	 0.3662982699	 0.120179
+H	-0.6451490428	-2.0321032508	-0.9328074888	 0.116343
+H	-1.4892927189	-0.6098994642	 1.6453835486	 0.120112
+H	 0.0528334209	-1.4139796699	 1.3976260213	 0.109191
+19
+0 2568	2.5598408	1.4542822	1.161041	2.743	78.32	-0.23892	-0.04841	0.19050999999999998	1141.3707	0.155301	-422.608662	-422.599203	-422.598259	-422.642796	34.843
+C	 1.3579993622	 0.7359692277	 0.4466099405	-0.494979
+C	-0.0541289157	 0.2643019204	 0.3223968258	 0.209276
+C	-1.1773201919	 0.9680791447	 0.1017770649	-0.152648
+C	-2.4373048914	 0.1391242697	 0.098382591	-0.31321
+C	-1.930528521	-1.3147172098	 0.175283031	 0.310679
+C	-2.0812350918	-2.0686178676	-1.1531247182	-0.430419
+O	-2.5700842189	-2.0190738676	 1.2273374509	-0.475826
+C	-0.4323003453	-1.1517942535	 0.5092039219	 0.282593
+O	 0.2628288665	-2.0652870538	 0.9026992908	-0.360428
+H	 1.7818448605	 0.4181167483	 1.4051466202	 0.147676
+H	 1.9880028807	 0.2911762422	-0.3318378171	 0.140682
+H	 1.4308665822	 1.8237752084	 0.37226411	 0.123415
+H	-1.2045079496	 2.044259402	-0.0424266395	 0.109561
+H	-3.0561111434	 0.3582143713	 0.9760731964	 0.137869
+H	-3.0554446973	 0.3347231159	-0.785094443	 0.1122
+H	-1.5770525924	-3.0377836647	-1.0883580744	 0.127022
+H	-3.1420197642	-2.2362077607	-1.3598463012	 0.12563
+H	-1.6425725421	-1.5087691044	-1.9861474303	 0.114777
+H	-1.9434331571	-2.7022598487	 1.5043499404	 0.28613
+19
+0 2569	3.1697706	1.0765379	1.0312019	2.5876	78.32	-0.2397	-0.03298	0.20672	1259.7382	0.155229	-422.592091	-422.582948	-422.582003	-422.626102	33.961
+C	-1.421393143	-3.7911670799	 2.6695543993	-0.493154
+C	-1.6021278146	-2.5996932625	 1.7839195036	 0.335294
+C	-0.697732967	-1.6616100812	 1.4916358653	-0.164757
+C	-1.2076088247	-0.6332239631	 0.5190118173	-0.328367
+C	-2.743681965	-0.923850847	 0.4383323268	 0.340443
+O	-3.2521817114	-0.8272934496	-0.8644484744	-0.484217
+C	-2.8998176314	-2.3527924904	 1.0485782821	-0.375552
+C	-3.4658436596	 0.0682220765	 1.3291408731	 0.115321
+O	-4.3320445106	 0.799408185	 0.9130179965	-0.280076
+H	-2.1550638932	-3.7949908592	 3.4857889929	 0.126132
+H	-1.5744752537	-4.724088292	 2.1120414247	 0.130258
+H	-0.4208564551	-3.8186031763	 3.1094322939	 0.125803
+H	 0.3176783823	-1.6474109678	 1.8740905466	 0.090499
+H	-0.9895002645	 0.3994048877	 0.8214785285	 0.1053
+H	-0.7871805257	-0.7564501804	-0.4865976554	 0.131104
+H	-3.9341499345	-0.1371541092	-0.8321582657	 0.289815
+H	-3.7814197397	-2.443899038	 1.6976039898	 0.102656
+H	-3.0492744691	-3.062366026	 0.2251784021	 0.129953
+H	-3.1467062896	 0.0832439933	 2.3912704731	 0.103545
+19
+0 2570	4.4026271	0.9719497	0.822482	2.9909	78.81	-0.24414	-0.02751	0.21663	1387.4821	0.155551	-422.574573	-422.565486	-422.564541	-422.608811	32.8
+C	 1.3261379775	 0.8009288684	-0.0528173362	-0.478538
+C	-0.0960696275	 0.3267210439	 0.0472921198	 0.29138
+C	-1.1249895531	 1.119908285	 0.3485957657	-0.169333
+C	-2.533373484	 0.6087269074	 0.4890657844	-0.253206
+C	-2.5149619292	-0.9161674183	 0.6147860209	 0.023861
+O	-1.6778590777	-1.5071545531	-0.3605165654	-0.266376
+C	-0.3172508801	-1.1452701614	-0.2100749507	-0.150593
+C	-3.8840833667	-1.5574375841	 0.4597824081	 0.137655
+O	-4.9077806038	-1.0573029081	 0.8459817907	-0.247525
+H	 1.9789458742	 0.2534758648	 0.6396611347	 0.125747
+H	 1.7325457018	 0.6371251116	-1.059196507	 0.126578
+H	 1.4075931537	 1.8658906332	 0.1784923821	 0.127172
+H	-0.9598844151	 2.1828835965	 0.5086501626	 0.085238
+H	-3.0241206726	 1.0377969543	 1.3690875953	 0.123277
+H	-3.1471730206	 0.9033261169	-0.3726561628	 0.121295
+H	-2.1568746453	-1.1858381871	 1.6279330085	 0.09353
+H	 0.1492503794	-1.7380187684	 0.5993337083	 0.097198
+H	 0.1768456842	-1.4450648282	-1.1423527777	 0.118207
+H	-3.854589885	-2.5509144631	-0.0393378714	 0.094431
+19
+0 2571	4.4025315	0.9222697	0.8452128	2.34	78.72	-0.23754	0.01209	0.24963	1399.3523	0.156479	-422.604329	-422.595352	-422.594408	-422.638943	32.319
+C	-3.9630859217	 3.5817529097	 2.1783151528	-0.495024
+C	-3.0202174197	 2.9158555888	 1.2279024326	 0.343065
+C	-3.3041694867	 2.3734689171	 0.0421403401	-0.163986
+C	-2.0866231388	 1.8232011431	-0.6563109061	-0.267639
+C	-0.9990361964	 1.8615698991	 0.442949604	 0.121843
+C	-1.5372942477	 2.8160176775	 1.5240209497	-0.326958
+O	-0.8737285885	 0.555801445	 1.0709501434	-0.219111
+C	-0.0689370779	-0.3232894311	 0.4641122268	 0.181385
+O	 0.5480978123	-0.1466111706	-0.551691107	-0.310425
+H	-3.9646164276	 3.0774170088	 3.1530699226	 0.127471
+H	-3.6673029763	 4.6217089337	 2.3683914457	 0.124896
+H	-4.9871133214	 3.5854102462	 1.7954816188	 0.124764
+H	-4.2932316174	 2.3462516652	-0.4026105872	 0.087148
+H	-2.218013128	 0.8087916071	-1.0458594591	 0.119526
+H	-1.7922131947	 2.4449573682	-1.5126180157	 0.114173
+H	-0.0175565601	 2.133660635	 0.0551951068	 0.105264
+H	-1.3186150531	 2.428603285	 2.5252874671	 0.116752
+H	-1.0549871614	 3.800774696	 1.4555396147	 0.109459
+H	-0.0554823849	-1.2530923337	 1.05501058	 0.107395
+19
+0 2572	2.5437658	1.6283394	1.2122958	1.9139	77.04	-0.21821	0.02514	0.24334999999999998	1080.8721	0.155088	-422.560855	-422.551714	-422.550769	-422.593824	35.078
+C	 1.3208687572	 0.642846166	-0.1123032233	-0.497297
+C	-0.0391968718	 0.0689970846	 0.1181364516	 0.274561
+C	-1.2231009992	 0.6931060182	 0.0979792428	-0.180649
+C	-2.3944715437	-0.2384558981	 0.3404223582	-0.336905
+C	-1.7170276175	-1.580098692	 0.611054874	 0.297874
+O	-2.2583826302	-2.7423156431	 0.0512982205	-0.475526
+C	-0.8069239508	-1.6973700788	 1.8149607866	-0.400375
+C	-0.2319853463	-1.3828039944	 0.4376325118	 0.305987
+O	 0.5624304747	-2.3280816665	-0.2033972259	-0.480969
+H	 1.9480981016	 0.548318404	 0.7831299601	 0.127664
+H	 1.8346993672	 0.0945893762	-0.9097155847	 0.141192
+H	 1.2703565039	 1.6991795393	-0.3888560621	 0.118184
+H	-1.355858873	 1.7586979772	-0.0555040422	 0.088242
+H	-3.0276900018	 0.091283971	 1.1743616336	 0.103027
+H	-3.0445443864	-0.3179507876	-0.5410737717	 0.114851
+H	-2.7893601456	-3.1913774024	 0.7167446642	 0.289097
+H	-0.8266295528	-0.9297081011	 2.5822220924	 0.110441
+H	-0.620968109	-2.7095306949	 2.1617781975	 0.109202
+H	-0.0434163066	-2.9478540376	-0.6312121734	 0.291399
+19
+0 2573	2.6973171	1.5279124	1.212967	0.3673	76.65	-0.23871	0.01637	0.25508000000000003	1091.2324	0.156684	-422.55809	-422.54962	-422.548676	-422.590939	32.312
+C	 1.2564091546	 0.7883732427	-0.0352276121	-0.501079
+C	-0.0795256463	 0.1168936584	-0.0621456603	 0.334095
+C	-0.3415917918	-1.1931860595	-0.1296552149	-0.170312
+C	-1.8123009958	-1.5319608928	-0.1176247642	-0.311837
+C	-2.4882073538	-0.1691449271	 0.0955885609	 0.358608
+O	-3.6101187998	-0.0609821455	-0.7417083458	-0.48248
+C	-2.6544792661	 0.3304168345	 1.5548666322	-0.137281
+O	-1.6656860896	 1.3663085505	 1.3747174392	-0.295531
+C	-1.3616106266	 0.9022957744	 0.0273689642	-0.052114
+H	 1.3656301223	 1.3881354788	 0.8762633813	 0.141637
+H	 2.0755327763	 0.0649914384	-0.0712537762	 0.122054
+H	 1.3713413474	 1.4779762995	-0.8811951006	 0.125081
+H	 0.4218756253	-1.9632863459	-0.1894670042	 0.091339
+H	-2.1489666843	-1.9630528336	-1.0684615192	 0.12183
+H	-2.0726091306	-2.2544517174	 0.6659180218	 0.10708
+H	-4.0058546305	 0.8078373593	-0.6124616791	 0.282972
+H	-3.6466538777	 0.7422377857	 1.7836893352	 0.093068
+H	-2.3739669526	-0.3829040448	 2.3400481048	 0.102715
+H	-1.4504021903	 1.7214086846	-0.6979437529	 0.070155
+19
+0 2574	2.2347049	1.8014117	1.3484823	2.3909	76.7	-0.24276	0.01305	0.25581	1036.9369	0.156781	-422.560302	-422.551834	-422.550889	-422.59296	32.333
+C	 1.2070645276	 0.9153465706	-0.2210279874	-0.494367
+C	-0.111241025	 0.2291262585	-0.0374997293	 0.232658
+C	-0.336084674	-1.0627306262	 0.2226136317	-0.161877
+C	-1.7998216767	-1.4160342432	 0.3672513576	-0.286248
+C	-2.4908771024	-0.0535840784	 0.2594731859	 0.064127
+O	-2.662295191	 0.5943208852	 1.5431633839	-0.294754
+C	-1.8617689786	 1.7268504223	 1.1458334593	-0.106652
+C	-1.4111108284	 0.9996118987	-0.1345899402	 0.262483
+O	-1.5398837152	 1.7957502467	-1.2873598471	-0.473189
+H	 1.3774319295	 1.660640104	 0.5663701805	 0.131964
+H	 2.0373472533	 0.2049552126	-0.2000044157	 0.12388
+H	 1.2396568989	 1.4611397395	-1.1707922009	 0.125739
+H	 0.4492877474	-1.8038327978	 0.33827877	 0.091519
+H	-2.1320019941	-2.1261670903	-0.4019622177	 0.101154
+H	-2.0275659225	-1.8697687692	 1.3389661005	 0.124954
+H	-3.4195695532	-0.0482533517	-0.3213667188	 0.072973
+H	-2.4723306511	 2.6127521028	 0.9287512814	 0.105253
+H	-1.0958927138	 1.9753490809	 1.888945135	 0.101331
+H	-1.2723834109	 1.2667993149	-2.0472618386	 0.279052
+19
+0 2575	2.6484401	1.7814141	1.3950446	1.6412	75.56	-0.2339	0.01552	0.24942	1001.1517	0.159074	-422.576737	-422.569164	-422.56822	-422.60854	29.635
+C	 0.6489165703	 1.5516680083	-1.2760983155	-0.498122
+C	-0.4558259938	 0.6138314141	-0.893566418	 0.343581
+C	-0.400921088	-0.7162519981	-0.9860491029	-0.168645
+C	-1.5435677197	-1.5885688852	-0.519959522	-0.266826
+C	-2.5836510148	-0.7247007264	 0.2048336644	 0.042975
+C	-2.0320139184	-0.0859395564	 1.5118916995	-0.099557
+O	-1.6438478879	 1.2351005131	 1.1212791802	-0.259097
+C	-1.7217216165	 1.2263281251	-0.3008563665	 0.071545
+O	-2.84744242	 0.432220798	-0.5952232393	-0.242573
+H	 0.9608397472	 2.1554668456	-0.4144328483	 0.137636
+H	 1.5237963026	 1.0127848745	-1.6494456031	 0.122471
+H	 0.3240310074	 2.2566485485	-2.0522640157	 0.126031
+H	 0.4770270283	-1.2064030733	-1.4008969805	 0.084641
+H	-2.0088526123	-2.1031223294	-1.3721454708	 0.113902
+H	-1.1783068298	-2.3762372525	 0.1522191853	 0.106196
+H	-3.5258252743	-1.2548242927	 0.3559728284	 0.086101
+H	-2.7979244696	-0.0034124453	 2.2890668265	 0.111011
+H	-1.1760097128	-0.6428860055	 1.9106072207	 0.102897
+H	-1.9046663779	 2.2478250878	-0.6442029924	 0.085833
+19
+0 2576	2.7453877	1.718389	1.3761121	1.5144	76.06	-0.23611	0.01861	0.25472	1008.2987	0.158948	-422.57866	-422.571081	-422.570137	-422.610445	29.671
+C	 1.1159579866	 1.2888667911	-0.0114915955	-0.496129
+C	-0.1201719802	 0.4478071846	 0.111551624	 0.335809
+C	-0.1367663145	-0.8279970066	 0.5035725425	-0.159492
+C	-1.4246333972	-1.6025066743	 0.6415410748	-0.275806
+C	-2.6195903728	-0.6798054427	 0.3669198123	 0.1869
+O	-2.8052373748	 0.2243773637	 1.4581765192	-0.278336
+C	-2.2209775969	 1.470399045	 1.075488007	-0.081967
+C	-1.4564501356	 1.0952744899	-0.2092403235	-0.050701
+O	-2.3548457905	 0.1248234922	-0.7596595541	-0.247445
+H	 1.0591455974	 2.1821588865	 0.6249286644	 0.124074
+H	 2.0101267144	 0.7295703516	 0.2762945129	 0.125684
+H	 1.2524405776	 1.6484512493	-1.0396823873	 0.127396
+H	 0.7920127597	-1.3463524498	 0.7307632316	 0.084145
+H	-1.4425317651	-2.4553860182	-0.0514466454	 0.108282
+H	-1.5264273836	-2.016428545	 1.652002674	 0.117486
+H	-3.5495709783	-1.229190914	 0.1935138466	 0.087052
+H	-3.0044785487	 2.2127332065	 0.874767668	 0.099722
+H	-1.5719366715	 1.8327586547	 1.8786196671	 0.10794
+H	-1.3646346059	 1.9163797356	-0.9233330684	 0.085387
+19
+0 2577	2.5972989	1.766325	1.2373881	1.5857	76.16	-0.24527	0.01728	0.26255	1046.1994	0.158706	-422.57821	-422.570304	-422.56936	-422.610829	29.866
+C	 1.2132101798	 1.1232535755	-0.0893161744	-0.497662
+C	-0.0379722507	 0.3407685096	 0.1506353027	 0.309393
+C	-0.1616153193	-0.9530855874	 0.4544683287	-0.170184
+C	-1.5922416176	-1.3991375059	 0.6238675647	-0.281243
+C	-2.4196113036	-0.1578074551	 0.2132685115	 0.080162
+O	-3.0249306582	-0.2779868607	-1.0737879852	-0.260318
+C	-2.2243700133	 0.4461713443	-1.9826006081	 0.013582
+O	-1.6698144814	 1.5234515714	-1.2684377543	-0.249831
+C	-1.3957653202	 1.0036934079	 0.0365604446	-0.022772
+H	 1.3269236004	 1.9257619239	 0.6510854662	 0.125342
+H	 2.1033908836	 0.490339538	-0.0444445962	 0.121865
+H	 1.1777498802	 1.6086839747	-1.0712343446	 0.140395
+H	 0.6751364793	-1.632301902	 0.5890305646	 0.09126
+H	-1.8549455937	-2.2575641029	-0.0042719196	 0.119482
+H	-1.8043278501	-1.6934671295	 1.6601954705	 0.107214
+H	-3.2181615082	 0.063790739	 0.9253309301	 0.086095
+H	-1.4324166907	-0.1988894776	-2.401339732	 0.08422
+H	-2.8553210245	 0.8389790595	-2.7851914494	 0.117192
+H	-1.5232329019	 1.8374764373	 0.7347780703	 0.085807
+19
+0 2578	2.7559415	1.3127634	1.0017338	4.3469	78.19	-0.25479	-0.0032	0.25159000000000004	1220.4451	0.157254	-422.592059	-422.583318	-422.582373	-422.625822	32.368
+C	 1.3057138021	-0.200734953	-1.5520506	-0.486753
+C	 0.0894073772	-0.4615307416	-0.7102623693	 0.31465
+C	-0.1832922587	-1.6281949199	-0.122464523	-0.148656
+C	-1.453705905	-1.8352503671	 0.6588273936	-0.288521
+C	-2.7128134187	-1.7326213057	-0.2209150008	-0.302657
+C	-3.0328410327	-0.4732016162	-1.035969272	 0.382207
+O	-4.1077882745	-0.3737434493	-1.5647988517	-0.313373
+O	-2.1328977604	 0.5169702205	-1.2497181963	-0.221217
+C	-0.8926937177	 0.6713234826	-0.5271455336	-0.168485
+H	 1.9028657879	 0.6255711493	-1.1454389789	 0.127938
+H	 1.947300959	-1.0834331424	-1.6151721808	 0.125578
+H	 1.0218555578	 0.0909518044	-2.571133376	 0.138239
+H	 0.4921988883	-2.471647139	-0.2424641233	 0.091561
+H	-1.4554570209	-2.8239704428	 1.127086941	 0.108985
+H	-1.5199398741	-1.1125833693	 1.4832230224	 0.11641
+H	-2.6883859479	-2.5332232057	-0.9703757331	 0.144488
+H	-3.6120324964	-1.9165828317	 0.3749040646	 0.137591
+H	-0.4894348245	 1.607171808	-0.9191311902	 0.122252
+H	-1.1183669107	 0.8292723788	 0.5342810775	 0.119762
+19
+0 2579	2.9193038	1.2664582	0.9940008	4.4566	77.94	-0.25292	-0.00041	0.25250999999999996	1227.2291	0.157705	-422.599023	-422.590437	-422.589493	-422.632368	32.077
+C	 1.2160396399	 1.1265234321	 0.2556171505	-0.466639
+C	-0.1358203174	 0.5454785375	-0.0693768204	 0.31407
+C	-1.2488773915	 1.2690850426	 0.0786552212	-0.159942
+C	-2.6740087341	 0.8329709058	-0.1533060021	-0.142973
+O	-3.0349153637	-0.4346297222	 0.4186096355	-0.214443
+C	-2.4859120067	-1.5853794517	-0.0385919844	 0.415575
+O	-2.8465514894	-2.6306915931	 0.430909003	-0.324211
+C	-1.407213707	-1.4695675745	-1.1016136913	-0.355886
+C	-0.0954754442	-0.8880949554	-0.5455666425	-0.285987
+H	 1.7190825727	 0.5376917546	 1.0332970441	 0.13094
+H	 1.8742277101	 1.1075007912	-0.6223147595	 0.126046
+H	 1.1417655972	 2.1583557251	 0.6069250218	 0.12505
+H	-1.1474201862	 2.2978088897	 0.416635701	 0.089841
+H	-3.3474276688	 1.537723158	 0.3390800585	 0.129805
+H	-2.9381125636	 0.8408759019	-1.219390414	 0.120298
+H	-1.2325149557	-2.4816202578	-1.4693615119	 0.131171
+H	-1.7538152453	-0.8626899143	-1.9445255953	 0.121899
+H	 0.2661097197	-1.5277360816	 0.2723320287	 0.131017
+H	 0.671582254	-0.9663714478	-1.3276783731	 0.114369
+19
+0 2580	2.6820556	1.2243655	0.8691115	2.6875	78.65	-0.24305	-0.02787	0.21517999999999998	1321.048	0.155575	-422.574746	-422.565691	-422.564747	-422.608943	32.761
+C	 1.2495156376	 0.5105681328	-1.0977212329	-0.47778
+C	-0.0772145718	 0.1046480892	-0.5208139853	 0.298401
+C	-1.0940065784	 0.9526262458	-0.3597838094	-0.159323
+C	-2.4061063381	 0.5551457862	 0.2572075067	-0.121956
+O	-2.3711979768	-0.7203425527	 0.8752434951	-0.267344
+C	-1.7065369938	-1.6885977543	 0.0886111165	 0.019717
+C	-0.2292457512	-1.3419033538	-0.1092460958	-0.294692
+C	-1.9298831538	-3.0297139468	 0.7683268414	 0.139455
+O	-1.2183032702	-3.9877904372	 0.6163187203	-0.248089
+H	 2.0645439065	 0.3039083227	-0.3920503387	 0.12801
+H	 1.4765051017	-0.0587931238	-2.0081133872	 0.125723
+H	 1.2751655119	 1.575455298	-1.3438148785	 0.121686
+H	-1.0080178943	 1.9900215238	-0.6745559073	 0.085884
+H	-2.6907810451	 1.2618240288	 1.0456973089	 0.12103
+H	-3.2096470751	 0.5867757226	-0.502112381	 0.098568
+H	-2.1909416618	-1.7604155469	-0.9053898443	 0.093796
+H	 0.327648795	-1.5385018872	 0.8167461518	 0.121047
+H	 0.1999660922	-2.0100191619	-0.864384188	 0.12054
+H	-2.8308169343	-3.0508372052	 1.4200025678	 0.095328
+19
+0 2581	2.2349925	1.5393822	1.2135855	2.308	78.1	-0.24179	-0.03838	0.20341	1117.1039	0.155535	-422.593396	-422.58419	-422.583246	-422.627342	33.925
+C	 1.3515996136	 0.6464354296	 0.1651842987	-0.500377
+C	-0.0534286624	 0.1684746873	-0.0145910416	 0.272578
+C	-1.1574470978	 0.8803263387	-0.2447741874	-0.172171
+C	-2.4037724335	 0.0365099179	-0.3475364241	-0.260815
+C	-1.9258131325	-1.3518832524	 0.1398055546	-0.283349
+C	-0.3703745675	-1.3280461269	 0.0554213187	 0.249608
+O	 0.2442189959	-1.9706029173	 1.1447612941	-0.480135
+C	 0.1003419811	-1.9857637148	-1.2334613189	 0.114033
+O	 0.9206647752	-2.8718981925	-1.2471526482	-0.27985
+H	 1.7475696748	 0.2974235801	 1.124584063	 0.147986
+H	 2.0169725372	 0.2459556986	-0.610708006	 0.128502
+H	 1.4109390569	 1.7371530721	 0.1344001307	 0.12352
+H	-1.1761081908	 1.9602303207	-0.3530802824	 0.094143
+H	-3.2302161328	 0.4306891763	 0.2549163755	 0.110658
+H	-2.7745126903	-0.0016011387	-1.3807869083	 0.109052
+H	-2.1606458561	-1.4988722994	 1.1968173316	 0.132483
+H	-2.373349552	-2.1825505757	-0.4141319342	 0.10297
+H	 0.8237056568	-2.6479756309	 0.7601586992	 0.290762
+H	-0.3536260059	-1.5937051625	-2.1663825852	 0.100403
+19
+0 2582	2.2249379	1.5794568	1.2659216	2.6351	78.2	-0.2287	-0.03246	0.19623999999999997	1096.7952	0.154132	-422.580066	-422.570471	-422.569527	-422.614402	34.423
+C	 1.4122430826	 0.7880285871	 0.1725159307	-0.499957
+C	 0.0153385998	 0.2576144121	 0.1731033069	 0.286032
+C	-1.1383755887	 0.9204311504	 0.136996845	-0.212266
+C	-2.2999899794	-0.0274248398	 0.1320732419	-0.135514
+O	-1.7100928919	-1.328221937	 0.1665857982	-0.310562
+C	-0.2862341632	-1.2374166421	 0.2210282432	 0.20839
+C	 0.3506742591	-2.0489549761	-0.9098007713	-0.426544
+C	 0.1658212422	-1.7635915999	 1.5913492991	 0.12532
+O	 1.2940996964	-2.0851306691	 1.8607859271	-0.255635
+H	 1.9901050615	 0.3800692856	 1.0088764726	 0.152526
+H	 1.9428251611	 0.4984554308	-0.7424411052	 0.136474
+H	 1.4206612899	 1.8786679914	 0.2383565321	 0.12676
+H	-1.2525726162	 1.9967570252	 0.0903689749	 0.10625
+H	-2.9629708201	 0.1058182923	 1.0005979562	 0.10919
+H	-2.925372636	 0.0720711771	-0.7686267649	 0.109686
+H	-0.0587000545	-3.0627807503	-0.9105895068	 0.131565
+H	 0.137908388	-1.5859049077	-1.8767432192	 0.118603
+H	 1.4312566942	-2.1138146421	-0.7632633864	 0.139261
+H	-0.6596136849	-1.7910906179	 2.3372814061	 0.09042
+19
+0 2583	2.5800496	1.6233144	1.1823049	2.5089	77.59	-0.23227	0.01502	0.24729	1086.7691	0.156485	-422.541844	-422.533281	-422.532337	-422.575381	31.454
+C	-2.5946209575	-0.624796456	 0.1703854758	-0.494658
+C	-1.1370175592	-0.3179578894	 0.0449699859	 0.27263
+C	-0.1036205551	-1.1559252606	 0.0885588153	-0.226572
+C	 1.1829573467	-0.4060107455	-0.0814930275	-0.138902
+O	 0.7911045478	 0.9596603122	-0.2275969938	-0.310155
+C	-0.6143395738	 1.0810898072	-0.1615864118	 0.287608
+C	-1.1564196562	 2.1987974486	 0.7723082059	-0.12662
+O	-1.9582213175	 2.7443382346	-0.2937324634	-0.27445
+C	-1.275571427	 1.9399613192	-1.2755143131	-0.126624
+H	-3.0435350886	-0.0976769938	 1.0202790244	 0.137914
+H	-3.1496026679	-0.3066768814	-0.7197722516	 0.138009
+H	-2.7613464812	-1.6956663025	 0.3093653339	 0.12732
+H	-0.1520403749	-2.2292499065	 0.2255313929	 0.102992
+H	 1.8546948613	-0.5074509438	 0.7847287365	 0.109049
+H	 1.7497229667	-0.7256564221	-0.9695082822	 0.108968
+H	-1.7599733802	 1.9022653691	 1.6375268142	 0.099986
+H	-0.3596093268	 2.882907111	 1.0918212742	 0.106783
+H	-1.9695828521	 1.4467876364	-1.9654080881	 0.099972
+H	-0.5303997642	 2.5118946133	-1.8435081375	 0.106752
+19
+0 2584	2.7020986	1.3773645	0.9719139	1.0667	78.35	-0.2317	0.0189	0.2506	1221.8135	0.15616	-422.537329	-422.528502	-422.527558	-422.571376	31.911
+C	 1.0823496732	 0.9812413813	 1.0561142499	-0.491231
+C	-0.1472128994	 0.3726036064	 0.4638957749	 0.307411
+C	-1.1550945156	 0.9588310003	-0.1769504937	-0.216107
+C	-2.1925078042	-0.0524035227	-0.5658747116	-0.116657
+O	-1.6730573042	-1.3058644102	-0.1187403732	-0.279506
+C	-0.425221023	-1.114087953	 0.5442031691	 0.012804
+C	 0.6313011124	-1.966492794	-0.1348427589	 0.072992
+C	 0.9715073598	-3.3036709352	 0.3585707504	-0.17679
+O	 1.8280574035	-2.1865403817	 0.6160757973	-0.238304
+H	 1.1255048368	 0.8014056855	 2.1373953382	 0.132862
+H	 1.9897431081	 0.534079695	 0.6360971138	 0.149924
+H	 1.1134257914	 2.0604949531	 0.8869615961	 0.121946
+H	-1.2514213764	 2.0168522196	-0.3889291406	 0.100439
+H	-3.1667698686	 0.1387553628	-0.0881301116	 0.104982
+H	-2.3691348462	-0.0933592186	-1.6517594077	 0.105863
+H	-0.49867637	-1.4469934018	 1.5940026135	 0.07992
+H	 0.7869883696	-1.7422017348	-1.1910513452	 0.094465
+H	 0.4488638102	-3.700743263	 1.2277329844	 0.117987
+H	 1.3706438627	-4.0481202788	-0.3279864253	 0.117001
+19
+0 2585	2.8511083	1.2506515	0.9586488	2.0048	79.07	-0.24205	0.00728	0.24933	1249.9825	0.156704	-422.603498	-422.594421	-422.593477	-422.638375	32.379
+C	-0.5805940185	 2.6131209349	 2.541356404	-0.501065
+C	-1.6019741754	 2.5214260172	 1.452924152	 0.326481
+C	-2.7661232368	 3.1664442006	 1.3562576414	-0.169406
+C	-3.5151423509	 2.85938937	 0.0843611639	-0.256877
+C	-2.7297487198	 1.6603690952	-0.5028945896	-0.245521
+C	-1.3714580524	 1.672304219	 0.2204033233	 0.03745
+O	-1.0100756237	 0.300456164	 0.5618589641	-0.222717
+C	 0.2844452123	-0.0327361992	 0.504886416	 0.185785
+O	 1.206223384	 0.6873593459	 0.2291228391	-0.310677
+H	-0.4225998812	 1.6376090356	 3.0166893914	 0.130802
+H	 0.3920066906	 2.9254059476	 2.1436617904	 0.143232
+H	-0.8858662288	 3.3210972346	 3.3160960996	 0.120621
+H	-3.1330725638	 3.8772476784	 2.0899222789	 0.091364
+H	-4.5720416983	 2.6264198734	 0.2570098851	 0.107411
+H	-3.5003114853	 3.7219765959	-0.5955488022	 0.111378
+H	-3.2314734498	 0.7215514611	-0.2526623974	 0.122605
+H	-2.6269916579	 1.700934651	-1.5894670968	 0.105671
+H	-0.5516079904	 2.0684728178	-0.3858413041	 0.116383
+H	 0.3791987361	-1.1014859531	 0.7558599608	 0.10708
+19
+0 2586	2.8223981	1.0741955	0.8178446	3.883	79.24	-0.23526	-0.01792	0.21734	1392.1534	0.155012	-422.572526	-422.563037	-422.562092	-422.6081	33.069
+C	-0.9657019075	 3.4097419004	 2.9394139023	-0.49983
+C	-1.7299754937	 2.8591292248	 1.7790820046	 0.314605
+C	-3.0240677839	 2.983869221	 1.4963992519	-0.206997
+C	-3.3523867566	 2.2955956405	 0.2052561126	-0.118461
+O	-2.1172007338	 1.7295288759	-0.2336639018	-0.280787
+C	-1.07010593	 2.0517717693	 0.6812687288	 0.024105
+C	-0.3949061815	 0.7532040036	 1.1722225537	-0.288271
+C	 0.160752307	-0.0659440194	 0.0262179977	 0.154174
+O	 1.3100144351	-0.4189071139	-0.0596586588	-0.243454
+H	-0.5195448121	 2.6115407685	 3.5445976533	 0.136374
+H	-0.137966011	 4.0453705879	 2.600765562	 0.134046
+H	-1.6084889225	 4.0069898037	 3.5905770781	 0.130974
+H	-3.760237513	 3.5158923812	 2.0866043254	 0.103341
+H	-4.1041562007	 1.4995536242	 0.3201581167	 0.107914
+H	-3.7349653158	 2.9921289235	-0.5574977184	 0.108872
+H	-0.3099295485	 2.6579251361	 0.1587581424	 0.091204
+H	 0.4212516801	 0.9736150682	 1.8663797292	 0.116449
+H	-1.1550343382	 0.1530969906	 1.6900657518	 0.118572
+H	-0.5839241634	-0.3239487562	-0.7556825818	 0.097171
+19
+0 2587	2.2381499	1.8196539	1.2223445	1.8675	77.44	-0.23053	0.01418	0.24471	1072.1754	0.15612	-422.543005	-422.534308	-422.533364	-422.575785	33.355
+C	 1.4383156308	 0.4654356234	-0.0962738188	-0.503555
+C	 0.0051014868	 0.0438882357	 0.0582551487	 0.278009
+C	-1.0275692608	 0.886008652	 0.1011721117	-0.174289
+C	-2.4447783366	 0.3942858043	 0.2647282697	-0.125332
+O	-2.5300086374	-0.8238139532	 0.9941500812	-0.258715
+C	-1.6536737588	-1.8196368817	 0.559976315	 0.058982
+C	-0.4709703602	-2.1301934414	 1.4522747596	-0.37033
+C	-0.2805768026	-1.4243428843	 0.1198447104	 0.257164
+O	 0.250895964	-2.1854610028	-0.9379445778	-0.46337
+H	 2.0473221911	 0.1206168941	 0.7497502748	 0.122518
+H	 1.8744909183	 0.0307235559	-1.0034811944	 0.129619
+H	 1.5313449752	 1.5524262982	-0.1610302349	 0.124117
+H	-0.8795649651	 1.9600553836	 0.0198052865	 0.08802
+H	-3.0388404092	 1.1163099212	 0.8339965992	 0.114934
+H	-2.9267305627	 0.2889747552	-0.7230583833	 0.104282
+H	-2.1243254526	-2.644750333	 0.029237111	 0.100605
+H	-0.3826810145	-1.5430575977	 2.359215516	 0.122639
+H	-0.1458613567	-3.163606476	 1.5161507614	 0.109761
+H	 1.1585959509	-2.4139315936	-0.7105020158	 0.28494
+19
+0 2588	2.2891516	1.8836027	1.2068364	1.0515	76.86	-0.24154	0.01188	0.25342	1065.0999	0.157986	-422.540951	-422.532894	-422.53195	-422.573533	30.515
+C	 0.4714585571	 1.0912516609	-1.3817185033	-0.486218
+C	-0.6856785097	 0.2637219573	-0.9001705292	 0.319501
+C	-1.9528274518	 0.4695840536	-1.2623404792	-0.170964
+C	-3.1079763753	-0.3806016671	-0.8190999796	-0.129292
+O	-2.8434133314	-1.1987546432	 0.3099666668	-0.261729
+C	-1.5693532135	-1.768004757	 0.3669995111	 0.082323
+C	-1.0455903333	-2.7351770635	-0.7250773397	-0.126661
+O	 0.2062485216	-2.0162583445	-0.7803123536	-0.29195
+C	-0.3501987191	-0.9023956089	-0.0137879796	-0.023547
+H	 0.9925278401	 1.5691596464	-0.5422934668	 0.124018
+H	 1.2060608024	 0.4545507799	-1.888761194	 0.144261
+H	 0.1508899919	 1.8726193708	-2.0759029042	 0.118918
+H	-2.2040645013	 1.2793428633	-1.9449373037	 0.090209
+H	-3.9575375613	 0.2501760679	-0.5319008046	 0.120007
+H	-3.4552585883	-0.9988683341	-1.6660199174	 0.105841
+H	-1.4830420472	-2.1998090909	 1.3658272731	 0.09981
+H	-0.9060850609	-3.7830233547	-0.4403586489	 0.107264
+H	-1.5949387948	-2.6873460569	-1.6746739396	 0.102519
+H	 0.335776155	-0.6170408392	 0.7930294522	 0.075691
+19
+0 2589	2.0991002	1.6562212	1.0196556	4.2037	78.21	-0.23844	0.00251	0.24095000000000003	1190.2675	0.157091	-422.592094	-422.583266	-422.582322	-422.626074	32.418
+C	 1.4807820498	 0.7056226029	-1.0118320205	-0.47948
+C	 0.169401398	 0.2537474568	-0.4356607909	 0.320506
+C	-0.8586167658	 1.070364464	-0.2065080626	-0.165157
+C	-2.1696756617	 0.5554095221	 0.3303111568	-0.280833
+C	-2.8694532992	-0.3926923094	-0.6423938179	-0.04028
+O	-2.2742555026	-1.677640222	-0.8948812949	-0.234465
+C	-0.9643900799	-2.0235163114	-0.9060418474	 0.398839
+O	-0.6489144676	-3.0262703279	-1.4885113821	-0.308096
+C	 0.0457538839	-1.2198775419	-0.0902029582	-0.422928
+H	 2.3090460614	 0.4893392866	-0.3249053583	 0.129592
+H	 1.7047397629	 0.172948966	-1.9445926542	 0.138046
+H	 1.4804278587	 1.7785021012	-1.2207177982	 0.123781
+H	-0.7769765484	 2.1289680425	-0.4372907731	 0.088545
+H	-2.0362462808	 0.0548003503	 1.2997228321	 0.116798
+H	-2.863416132	 1.3840376272	 0.507395558	 0.111599
+H	-3.8691259331	-0.6382828997	-0.2709044608	 0.119215
+H	-2.9833179491	 0.1054491975	-1.6131527723	 0.117405
+H	-0.2364987847	-1.3285961607	 0.9664062308	 0.134727
+H	 0.9964106603	-1.736487194	-0.2248525064	 0.132185
+19
+0 2590	2.0571064	1.7115373	1.0492245	2.3205	78.45	-0.22975	-0.01467	0.21508000000000002	1171.2152	0.156736	-422.576341	-422.567673	-422.566729	-422.609875	32.37
+C	 1.5985978199	 0.0285031527	 0.7276828289	-0.47354
+C	 0.1041100871	-0.131805024	 0.6351909703	 0.284875
+C	-0.7015321422	 0.9160718186	 0.4413155135	-0.138185
+C	-2.2009603558	 0.9290182785	 0.3176067465	-0.14041
+O	-2.8396046296	-0.328453276	 0.4292984931	-0.233993
+C	-2.5621649618	-1.2100137203	-0.6318326037	-0.181515
+C	-1.204773304	-1.9153388381	-0.5160130918	 0.35704
+O	-0.827920959	-2.6778348022	-1.371023112	-0.300354
+C	-0.3967848433	-1.5700027322	 0.7285574194	-0.387133
+H	 1.9766275035	-0.3614217913	 1.6813038356	 0.128246
+H	 2.1008541631	-0.5432236695	-0.0629633104	 0.136649
+H	 1.9022023099	 1.0748443305	 0.6408844557	 0.121266
+H	-0.2533402051	 1.9060297843	 0.3647473956	 0.085184
+H	-2.6324199278	 1.5486061426	 1.1142556566	 0.123452
+H	-2.483325518	 1.4111633942	-0.6369879225	 0.100947
+H	-3.335739737	-1.9862889343	-0.6173394497	 0.140121
+H	-2.6180241677	-0.711650044	-1.6121965397	 0.122281
+H	-1.0295489972	-1.6972327171	 1.6129844614	 0.137511
+H	 0.4414338751	-2.2665905424	 0.7884961131	 0.117558
+19
+0 2591	2.4535055	1.7044462	1.120034	2.5905	78.52	-0.23971	0.00719	0.2469	1109.3542	0.15704	-422.541111	-422.532818	-422.531873	-422.573733	31.727
+C	 1.5546673472	 0.0514945848	-0.9214694738	-0.504299
+C	 0.119375861	-0.0897371462	-0.4954983387	 0.27629
+C	-0.7874712612	 0.8800758106	-0.6468267291	-0.180406
+C	-2.1978559163	 0.779366284	-0.1364579692	-0.133116
+O	-2.3664903701	-0.2476669293	 0.8198170355	-0.241762
+C	-1.8102319769	-1.4688852871	 0.3799796117	-0.163299
+C	-0.3132173346	-1.3620853936	 0.1547596413	 0.3274
+C	 0.4576155669	-2.6121495185	 0.0416954225	-0.240682
+O	 0.5256354702	-1.836480757	 1.2342933355	-0.274222
+H	 2.2238033443	-0.2131277325	-0.0957718688	 0.147042
+H	 1.7982055223	-0.6098435007	-1.7620092366	 0.124112
+H	 1.7725857513	 1.0772160443	-1.2280455171	 0.122261
+H	-0.5188273161	 1.8088219445	-1.1452511293	 0.090606
+H	-2.4857128938	 1.7108189231	 0.3639034014	 0.121253
+H	-2.9006411533	 0.6414840612	-0.9810727727	 0.096104
+H	-2.0106737794	-2.2102769983	 1.1574703361	 0.119631
+H	-2.2948728487	-1.7977675842	-0.5565449398	 0.088542
+H	-0.0669021668	-3.564555982	 0.1302132035	 0.111434
+H	 1.3680629941	-2.647548653	-0.5530491524	 0.113113
+19
+0 2592	2.5806692	1.4136209	1.0093917	2.962	79.2	-0.23821	-0.03296	0.20525	1198.3306	0.155916	-422.573173	-422.564155	-422.56321	-422.607309	32.735
+C	 1.3550242547	 0.6712672749	 0.7459144625	-0.481136
+C	-0.0152193508	 0.1917516997	 0.3536716593	 0.265861
+C	-1.0218956947	 1.011460283	 0.0408517192	-0.163417
+C	-2.4209958909	 0.5187945192	-0.2126510846	-0.258665
+C	-2.5847425249	-0.8552961914	 0.4296610839	-0.075595
+O	-1.5433782756	-1.7269914449	 0.0165428576	-0.276369
+C	-0.2369996494	-1.3140265184	 0.3624668388	-0.024655
+C	 0.672704377	-1.9606030387	-0.6882227565	 0.141903
+O	 1.8453718237	-2.1763502246	-0.536960879	-0.244333
+H	 1.5838457241	 0.38960994	 1.7817396994	 0.128519
+H	 2.1401207319	 0.2257968974	 0.1276378731	 0.151114
+H	 1.4196540865	 1.7595138365	 0.6687381841	 0.120755
+H	-0.846707962	 2.0845896293	 0.0239883208	 0.088994
+H	-3.1525431212	 1.2175674328	 0.211414234	 0.106618
+H	-2.635494389	 0.4597621146	-1.2882821121	 0.117914
+H	-2.5917024289	-0.7566681098	 1.5262936925	 0.095689
+H	-3.5148158349	-1.3425700689	 0.1253408076	 0.110571
+H	 0.0583776248	-1.7168430491	 1.3470692339	 0.099044
+H	 0.1317805394	-2.1977693615	-1.6296699246	 0.097189
+19
+0 2593	2.304546	1.5098995	1.0641746	2.7161	79.1	-0.23538	-0.02844	0.20694	1168.8507	0.15637	-422.573615	-422.564725	-422.563781	-422.607347	32.454
+C	 1.488085259	 0.8250086593	-0.2848663046	-0.483
+C	 0.1604980413	 0.1520083584	-0.0842812103	 0.287126
+C	-0.0073459212	-1.1709692937	-0.0348040831	-0.166641
+C	-1.345456369	-1.8267437521	 0.1574750508	-0.121661
+O	-2.4370954669	-0.9330906285	 0.0423797981	-0.247558
+C	-2.2099272326	 0.2959641439	 0.7063387845	-0.123389
+C	-1.0524744069	 1.0620851282	 0.0540174435	-0.162909
+C	-1.4252500064	 1.5448586304	-1.3429762544	 0.155166
+O	-0.9874778344	 2.542556174	-1.8576837024	-0.258379
+H	 1.7646119573	 1.4152963143	 0.5982074139	 0.126547
+H	 2.2826384621	 0.0986819238	-0.4745280588	 0.120697
+H	 1.4455517084	 1.5273706039	-1.1253279792	 0.150313
+H	 0.8486150411	-1.8383415152	-0.1040836611	 0.092175
+H	-1.5084127252	-2.6018951716	-0.6005280506	 0.123125
+H	-1.3703305581	-2.3348006949	 1.1393701588	 0.102482
+H	-3.148696579	 0.854775867	 0.6386057155	 0.11425
+H	-1.9864811324	 0.1341775792	 1.7727251371	 0.0997
+H	-0.7849492238	 1.9438216345	 0.6481538223	 0.094662
+H	-2.1202547033	 0.8656628092	-1.8829604398	 0.097293
+19
+0 2594	2.4565591	1.6705216	1.0992175	2.5511	78.36	-0.23865	-0.00018	0.23847	1128.3879	0.157344	-422.530668	-422.522359	-422.521414	-422.563799	31.259
+C	 1.2575086546	-0.3384023388	 4.483273885	-0.483401
+C	 1.3791513361	-0.63424592	 3.0073796936	 0.317293
+C	 0.570417155	-1.5147206031	 2.4116180611	-0.154966
+C	 0.5732574173	-1.9571118263	 0.9709602125	-0.148432
+O	 1.8534520934	-2.1053304848	 0.3859687564	-0.220621
+C	 2.4223938199	-0.9215983356	-0.1029283575	-0.134253
+C	 2.9351052594	 0.0402725108	 0.9462955891	 0.04843
+O	 3.7109115098	-0.4894242369	 2.0127548865	-0.249215
+C	 2.4542689695	 0.1532206509	 2.3331369913	-0.036698
+H	 0.4488213672	-0.9102170471	 4.9441629413	 0.122041
+H	 2.1899448405	-0.5805007985	 5.008181872	 0.13941
+H	 1.0669042458	 0.7279172919	 4.6598076415	 0.123864
+H	-0.1862452993	-1.999482532	 3.0267999878	 0.085815
+H	 0.1054133878	-2.945574785	 0.9096772936	 0.115941
+H	-0.0451331387	-1.2772906303	 0.3569930263	 0.09836
+H	 3.270195255	-1.2298173905	-0.726334056	 0.120417
+H	 1.7151480637	-0.3755915047	-0.7530992692	 0.088502
+H	 3.3482686287	 0.9509430753	 0.4988535021	 0.083499
+H	 2.6094178643	 1.1273434648	 2.8037678824	 0.084013
+19
+0 2595	2.4193425	1.5840135	1.0398543	4.6208	79.48	-0.25726	-0.03065	0.22660999999999998	1172.6602	0.157823	-422.597388	-422.588772	-422.587828	-422.6308	31.998
+C	 1.220995726	 0.9697308559	 0.0541583193	-0.455859
+C	-0.0503407786	 0.2633922678	 0.4728959403	 0.124472
+C	-0.1736848692	-1.0600375989	 0.2888101301	-0.116044
+C	-1.266684228	-2.0336264792	 0.6152653142	-0.262052
+C	-2.5304763249	-1.4719696883	 1.2664178467	-0.225406
+C	-2.9654506	-0.1559662318	 0.6316694548	-0.073396
+O	-2.3274126798	 0.9681926912	 1.2395937067	-0.222892
+C	-0.9951661536	 1.1972808207	 1.1749263707	 0.357579
+O	-0.5797952032	 2.2081358646	 1.6871853984	-0.326397
+H	 1.7190896647	 1.4076076487	 0.9230328964	 0.151441
+H	 1.9055585416	 0.2794502362	-0.4441639932	 0.109923
+H	 1.004240476	 1.8000191415	-0.6263437955	 0.132671
+H	 0.6779525905	-1.5426926424	-0.190933363	 0.095929
+H	-1.5374332712	-2.5335025744	-0.3273326397	 0.119086
+H	-0.8436591915	-2.8339062144	 1.2383907731	 0.121766
+H	-3.3367384657	-2.2082395759	 1.1797848618	 0.107014
+H	-2.3806205571	-1.292300538	 2.3366024867	 0.125149
+H	-2.7837973839	-0.1560036316	-0.450748586	 0.112944
+H	-4.0291428221	 0.0291419683	 0.7965954683	 0.124072
+19
+0 2596	2.4908107	1.5211896	1.0638135	3.3096	79.47	-0.23592	-0.04876	0.18716	1164.4188	0.157122	-422.574712	-422.565963	-422.565019	-422.608212	32.414
+C	 1.4068266636	 0.864201214	-0.5060547649	-0.472356
+C	 0.1799848942	 0.0981183644	-0.0851889956	 0.221983
+C	 0.0864884625	-1.2355802618	-0.2103178156	-0.12949
+C	-1.0597648235	-2.0949927446	 0.254251438	-0.30909
+C	-2.4107395576	-1.754337949	-0.4073071998	-0.056752
+O	-2.6701691043	-0.3703084733	-0.5121892123	-0.230299
+C	-2.3260805137	 0.4051006223	 0.6142326547	-0.19972
+C	-0.8813020214	 0.9243553224	 0.5662592167	 0.301077
+O	-0.6275418217	 2.0223384856	 1.0208829299	-0.315327
+H	 1.8357454314	 1.3973895376	 0.3475064838	 0.146594
+H	 2.1629299317	 0.1990520199	-0.9298339067	 0.113278
+H	 1.1559056216	 1.6282789637	-1.2500362516	 0.135341
+H	 0.9308557799	-1.7585725473	-0.6547034531	 0.098422
+H	-0.8460272424	-3.1498784297	 0.0567112424	 0.111997
+H	-1.1643764205	-2.0141070264	 1.3431522022	 0.125656
+H	-2.4349991407	-2.130346634	-1.434723662	 0.116185
+H	-3.2129538004	-2.2571964656	 0.1566572595	 0.093434
+H	-2.9719575589	 1.2870056487	 0.6189705676	 0.137362
+H	-2.4989978	-0.1293849069	 1.5621004969	 0.111706
+19
+0 2597	2.4527704	1.5691732	1.0575194	3.0024	79.3	-0.24227	-0.04682	0.19545	1159.9527	0.157144	-422.575624	-422.566879	-422.565935	-422.609101	32.311
+C	 1.4689576277	 0.7114238956	-0.4617308875	-0.471559
+C	 0.0472004911	 0.3683027778	-0.1022207125	 0.207848
+C	-0.9849934119	 1.1737880018	-0.3919596918	-0.138636
+C	-2.4583167899	 0.8742159179	-0.2412082274	-0.149692
+O	-2.7920940023	-0.482128479	-0.4597822696	-0.233694
+C	-2.6650442298	-1.3332509924	 0.6598412865	-0.071751
+C	-1.3605086975	-1.1409059625	 1.4525361915	-0.346546
+C	-0.1278338755	-0.9558835138	 0.5755078381	 0.332752
+O	 0.728931298	-1.8133584889	 0.4980970745	-0.31597
+H	 2.1095510276	 0.7264730037	 0.426941004	 0.131885
+H	 1.8841241052	-0.054926173	-1.1233984096	 0.149958
+H	 1.5316282104	 1.6829159631	-0.9575085262	 0.114065
+H	-0.7686346766	 2.1329624476	-0.8602114856	 0.097034
+H	-2.8388028895	 1.2269041888	 0.733615506	 0.106435
+H	-3.0018150284	 1.4416280555	-1.0045910359	 0.123084
+H	-3.5186954458	-1.2041881542	 1.3449623565	 0.094584
+H	-2.7083428681	-2.3485422943	 0.2549664219	 0.126262
+H	-1.4535015357	-0.2630465337	 2.102551209	 0.117991
+H	-1.1950914689	-2.0155088699	 2.086728488	 0.12595
+19
+0 2598	2.0720587	1.7099172	1.0518784	2.0774	75.84	-0.23837	-0.02785	0.21051999999999998	1169.182	0.15404	-422.543927	-422.534374	-422.53343	-422.578776	34.248
+C	-0.9784807845	 2.1102662511	-1.2345993729	-0.412751
+C	-1.0674652093	 1.1153202594	-0.0829422507	-0.203732
+C	 0.0406339132	 0.0439177496	 0.0265016788	 0.406476
+O	 1.23644404	 0.0975473064	 0.0067258437	-0.30516
+C	-0.9733155353	-1.1183869066	 0.1104924667	-0.235267
+C	-1.0346444895	-1.8623172152	 1.4455764713	-0.392827
+C	-2.0680598211	-0.0567436924	-0.1336680028	 0.43255
+C	-3.3266770191	-0.180804817	-0.8661673697	-0.262184
+O	-3.3006266934	-0.0512468653	 0.5643032582	-0.268486
+H	-0.9215040606	 1.5961225777	-2.1991955988	 0.120706
+H	-1.8494346096	 2.772712227	-1.2522135612	 0.126313
+H	-0.0822091643	 2.728597433	-1.1305313405	 0.140177
+H	-1.1623891087	 1.6436970431	 0.8754070106	 0.119519
+H	-0.8486369605	-1.8277729603	-0.7160261214	 0.104676
+H	-1.8949579253	-2.5368566171	 1.4673707332	 0.132119
+H	-0.1242946329	-2.4488958963	 1.5950693263	 0.133954
+H	-1.1379778347	-1.1674830488	 2.2841975261	 0.126998
+H	-3.7333386004	 0.6756051153	-1.4023434684	 0.119238
+H	-3.6410668336	-1.1543732234	-1.2410075085	 0.117679
+19
+0 2599	2.0187043	1.7837923	1.109756	2.3358	76.12	-0.24346	-0.02581	0.21765	1132.8414	0.154741	-422.548431	-422.538936	-422.537991	-422.582697	34.551
+C	-1.0033669261	-2.2384555025	 1.0176426484	-0.408074
+C	-0.9041323931	-1.0388001032	 0.0881258064	-0.17642
+C	-0.0508536403	 0.1529223279	 0.5622051465	 0.3257
+O	 0.821626944	 0.266500418	 1.3781994838	-0.308251
+C	-1.0346371518	 1.1812183393	-0.0181235572	-0.00891
+O	-1.277163322	 2.3517007484	 0.7022818215	-0.426678
+C	-2.0456750136	 0.0022647814	-0.0108407266	 0.28398
+C	-3.3657267861	-0.0679867412	-0.7062089297	-0.338658
+C	-3.3028703659	 0.0245681333	 0.804490651	-0.309425
+H	-1.746262492	-2.9581747913	 0.658865717	 0.119864
+H	-0.0395497803	-2.7516898828	 1.0809545421	 0.134851
+H	-1.2837608877	-1.9294326574	 2.0286435443	 0.12686
+H	-0.5906048025	-1.3505492094	-0.916940247	 0.102387
+H	-0.7786481479	 1.457167991	-1.0494393526	 0.110168
+H	-0.941337039	 2.2181689582	 1.5968604166	 0.294991
+H	-3.6977307148	 0.8052236377	-1.2592849103	 0.12106
+H	-3.6647991894	-1.0158117073	-1.1433251691	 0.114383
+H	-3.5696343474	 0.9698656143	 1.2658202338	 0.126101
+H	-3.569045374	-0.8556901943	 1.3802252211	 0.116072
+19
+0 2600	1.9345047	1.8341393	1.1640803	2.3303	77.1	-0.22651	-0.01183	0.21467999999999998	1123.5034	0.154452	-422.558409	-422.548698	-422.547754	-422.592584	35.336
+C	-3.4463021096	-0.1136762682	 0.8465511275	-0.502611
+C	-2.1841347089	-0.0591924357	 0.0366875304	 0.301979
+C	-1.9707434378	 0.8372865637	-1.1311146814	-0.362081
+C	-1.0428037277	 1.0290928336	 0.0701413332	 0.150081
+C	-0.9083117998	 2.3309637574	 0.8055435123	-0.497846
+C	-0.0422570508	-0.0761429461	 0.0342670049	 0.34613
+O	 1.1489137415	-0.1326521462	 0.1886338697	-0.334687
+C	-1.1417059013	-1.1776485397	-0.0262820315	-0.075296
+O	-1.2268388428	-2.0199301924	-1.1535087706	-0.433962
+H	-3.2579952865	-0.489475602	 1.8580479399	 0.123326
+H	-3.9055207253	 0.8764581923	 0.9324398034	 0.122153
+H	-4.1807955087	-0.7769802112	 0.3758379881	 0.138216
+H	-1.5958681933	 0.4398193461	-2.068246	 0.1335
+H	-2.6904813134	 1.6433996405	-1.2435947388	 0.118352
+H	-0.4879413602	 2.1807433357	 1.8048317714	 0.1315
+H	-0.2446962686	 3.0154716474	 0.2664028884	 0.13944
+H	-1.8783402178	 2.8271883621	 0.9124836243	 0.121159
+H	-1.1134076202	-1.7551390069	 0.9126766096	 0.085182
+H	-0.3866121388	-2.4852237306	-1.2320035708	 0.295468
+19
+0 2601	1.9465557	1.8613384	1.218326	3.6927	76.77	-0.23346	-0.00544	0.22802	1099.3001	0.154322	-422.555666	-422.545935	-422.544991	-422.589874	35.395
+C	-0.651346521	-2.0885396863	-1.1872938541	-0.396466
+C	-0.8708037579	-1.1353467651	-0.015552866	-0.203934
+C	 0.1263171601	 0.0598574373	-0.0422161714	 0.387541
+O	 1.3220531877	 0.1057591984	-0.1414565754	-0.328982
+C	-0.9518718446	 1.0903229184	-0.1910589672	 0.147535
+C	-0.8617453814	 2.3738393768	-0.9645014521	-0.498288
+C	-1.9850023015	 0.874708334	 0.9278402592	-0.396867
+C	-1.978291647	-0.0764944726	-0.2128330874	 0.359691
+O	-3.0116226865	-0.1957641549	-1.119668189	-0.456039
+H	-1.4603596617	-2.8223011258	-1.2504761278	 0.115219
+H	-0.6163145702	-1.5481323691	-2.1380686008	 0.127322
+H	 0.2945049393	-2.6225918949	-1.064089698	 0.13329
+H	-0.9222047093	-1.6885019685	 0.9302320966	 0.079833
+H	-0.2799302585	 2.2355381037	-1.8806361334	 0.134946
+H	-1.8593864149	 2.7264561089	-1.244257202	 0.128414
+H	-0.3768365031	 3.1599103393	-0.3763959083	 0.133095
+H	-1.6825751661	 0.5683279973	 1.9261581057	 0.118295
+H	-2.7714467457	 1.6239100751	 0.9032990197	 0.122656
+H	-3.7835127778	-0.5487438019	-0.6634699584	 0.292738
+19
+0 2602	1.9732917	1.8523199	1.1486969	3.0965	76.75	-0.23253	-0.02115	0.21137999999999998	1136.5244	0.15335	-422.552375	-422.54256	-422.541616	-422.586665	35.373
+C	-1.1023810792	-1.8968837177	-1.2872958802	-0.415361
+C	-0.8047790657	-1.0743388615	-0.0409872144	-0.187922
+C	 0.1912506621	 0.1242003094	-0.1363316799	 0.39241
+O	 1.3664261883	 0.206528688	-0.3432487031	-0.30876
+C	-0.8825828092	 1.1089588857	 0.3217748479	 0.204705
+C	-0.7576409827	 2.433618613	 0.994499918	-0.516386
+O	-1.9529534606	 0.9069501006	-0.6433109691	-0.316325
+C	-1.8430288261	-0.0304561651	 0.4325571789	 0.341525
+C	-3.0109039221	-0.22909811	 1.3421944013	-0.506191
+H	-1.8222796413	-2.6948294655	-1.0775911307	 0.116889
+H	-1.5098082128	-1.25840214	-2.0750845513	 0.137807
+H	-0.1857094208	-2.3623365301	-1.6618295701	 0.134185
+H	-0.4690194471	-1.7126310173	 0.7874493255	 0.097804
+H	-0.0531909269	 2.3733376826	 1.8296344172	 0.137025
+H	-0.3832250861	 3.1859217789	 0.2928777718	 0.147624
+H	-1.7271753212	 2.7705978697	 1.3713168186	 0.134743
+H	-3.7801657552	-0.839232474	 0.8561999741	 0.139139
+H	-2.7030629979	-0.7432250816	 2.2581685766	 0.130401
+H	-3.4610180356	 0.7307413048	 1.6091202691	 0.136686
+19
+0 2603	1.9356104	1.7903406	1.1938982	2.7881	77.74	-0.23323	-0.00786	0.22537	1120.2628	0.154755	-422.555834	-422.546317	-422.545373	-422.589827	35.069
+C	-0.9405014186	-1.924993225	 1.3488275835	-0.421195
+C	-0.9431008823	-1.0604998654	 0.0919449486	-0.150812
+C	 0.0235722091	 0.1515379757	-0.0296503833	 0.308322
+O	 1.1792443532	 0.2288509232	-0.3689670376	-0.351223
+C	-1.050818353	 1.1676639059	-0.0844994188	 0.290581
+O	-0.9579274335	 2.3595995032	-0.750209781	-0.448677
+C	-2.1454934213	 0.9532215392	 0.9182261738	-0.382524
+C	-2.0850351207	-0.0621415239	-0.1802347288	 0.237573
+C	-3.1716525789	-0.2594309114	-1.193428224	-0.494736
+H	-1.7181583655	-2.6942630936	 1.2991360158	 0.120113
+H	 0.0245864035	-2.4300019937	 1.4547432734	 0.134999
+H	-1.1077786634	-1.3383991356	 2.2567349892	 0.119679
+H	-0.7686913378	-1.6925981759	-0.7881775346	 0.096164
+H	-0.2317667739	 2.2744380147	-1.3822071623	 0.301623
+H	-1.9274113477	 0.7056220055	 1.9535151121	 0.12038
+H	-2.9352843484	 1.6919027556	 0.8051129673	 0.132378
+H	-3.9579667372	-0.9225712156	-0.8127737813	 0.130127
+H	-3.6401160292	 0.695439337	-1.452926769	 0.132576
+H	-2.7791149545	-0.70703566	-2.1131269531	 0.124652
+19
+0 2604	2.532219	1.746317	1.2772892	2.3336	75.19	-0.23581	-0.0156	0.22021	1030.7595	0.157125	-422.576338	-422.568037	-422.567093	-422.608737	32.297
+C	-3.7251067457	-1.2055850902	-0.0390618075	-0.503971
+C	-2.3702970208	-0.5398950491	-0.017938273	 0.320091
+C	-1.9820106826	 0.5418282499	 1.0390739487	-0.269963
+C	-0.8706230189	 0.9188228799	-0.0071610639	-0.140792
+C	-1.9191958922	 0.50358471	-1.0885650271	-0.28327
+C	-0.0494208906	-0.3459384968	 0.0877780016	 0.400428
+O	 1.1226433228	-0.5171967416	 0.3031808267	-0.351715
+C	-1.1299064479	-1.4539289857	 0.002823624	 0.014534
+O	-1.0829645634	-2.3048787018	 1.1275811298	-0.452715
+H	-3.8479325342	-1.8519677099	 0.8355330441	 0.139624
+H	-4.5313279256	-0.4646730974	-0.0346914131	 0.111758
+H	-3.8439852248	-1.8287267027	-0.9328325264	 0.118191
+H	-2.7330582888	 1.331112599	 1.1204965892	 0.106146
+H	-1.6706382963	 0.2017132582	 2.0287808052	 0.118129
+H	-0.3450897542	 1.8709525019	-0.0034815714	 0.085467
+H	-2.670878251	 1.2816225934	-1.2399097702	 0.110703
+H	-1.5541172117	 0.1407326899	-2.0545466899	 0.102785
+H	-1.0406052781	-2.0282190476	-0.9338726136	 0.080378
+H	-0.149555176	-2.4663645093	 1.3150237166	 0.294192
+19
+0 2605	2.5236517	1.7611822	1.2760488	3.0968	74.92	-0.22842	-0.01696	0.21146	1037.7602	0.156134	-422.566122	-422.557668	-422.556724	-422.598678	32.487
+C	-0.8668726291	-1.977609635	 1.3609054681	-0.419122
+C	-0.991407584	-1.1387296776	 0.0900124165	-0.14125
+C	 0.0068802321	 0.0467876498	 0.0572250831	 0.447711
+O	 1.2029928715	 0.0334621227	 0.1412287029	-0.334736
+C	-0.9690304528	 1.2267114719	-0.0571991164	-0.036636
+C	-1.9289575272	 0.7346216052	-1.1609725114	-0.291475
+C	-2.2698855818	-0.2654762877	-0.0244276716	 0.404635
+C	-3.6256112952	-0.8875625121	 0.1479784014	-0.498961
+O	-1.9559277767	 0.8131227385	 0.9417826997	-0.330545
+H	-1.5226461225	-2.8530016169	 1.3308990655	 0.115387
+H	 0.163154082	-2.3271915107	 1.475121366	 0.136995
+H	-1.1220515697	-1.3779751605	 2.2391980946	 0.136279
+H	-0.8411897031	-1.7660261278	-0.7969885162	 0.094006
+H	-0.5947149725	 2.2429661455	 0.0443571317	 0.098382
+H	-2.7377521574	 1.4465239722	-1.3336600536	 0.117784
+H	-1.5178457531	 0.3558110254	-2.1008398661	 0.107553
+H	-3.7023285537	-1.3948032213	 1.1143050775	 0.137341
+H	-4.4080233894	-0.1256945438	 0.0951213661	 0.130421
+H	-3.8043850075	-1.6267851178	-0.6399402177	 0.12623
+19
+0 2606	2.4491195	1.7472432	1.260568	2.1831	74.81	-0.23614	-0.00907	0.22707	1035.9458	0.157027	-422.578376	-422.570047	-422.569103	-422.610741	32.502
+C	-0.8621280797	-2.256720601	 1.324698477	-0.441012
+C	-1.0084459642	-1.3211945766	 0.126257851	-0.151907
+C	-0.0282834781	-0.1217113219	 0.1341530543	 0.440855
+O	 1.1643799773	-0.1469729863	 0.2792853338	-0.34475
+C	-0.9604063977	 1.0673304165	-0.0379045855	-0.138564
+C	-2.0585093274	 0.6910967545	 1.0150938997	-0.307545
+C	-2.3125005551	-0.4887162695	 0.0187972549	 0.413764
+O	-3.5260770374	-1.1632487851	-0.0625736515	-0.485399
+C	-1.9571707785	 0.5072966114	-1.1080519552	-0.276709
+H	-1.5353450363	-3.1174037641	 1.2423677831	 0.113035
+H	 0.1613382251	-2.6383965648	 1.3742290433	 0.146642
+H	-1.0704103713	-1.7493344148	 2.2723606139	 0.122144
+H	-0.8575686398	-1.8938612605	-0.797876743	 0.100454
+H	-0.5149347256	 2.0567151783	-0.0996236113	 0.087312
+H	-1.7438235161	 0.4767710143	 2.0396608119	 0.103558
+H	-2.8828896438	 1.4068533352	 1.0108977235	 0.114684
+H	-3.5639280616	-1.8156546635	 0.6451991258	 0.28308
+H	-1.5519295763	 0.1092424168	-2.0423116373	 0.105228
+H	-2.7692125135	 1.2093233214	-1.3076336585	 0.115129
+19
+0 2607	2.260131	1.6848343	1.2529406	2.5865	75.58	-0.24713	-0.0262	0.22093	1071.5923	0.155705	-422.550327	-422.541409	-422.540465	-422.583732	33.398
+C	-3.1257395786	 0.0591150317	-1.2212511315	-0.47738
+C	-2.1939232567	 0.1724239272	-0.0396613968	 0.292378
+C	-2.6840363051	 0.7301575363	 1.3160634444	-0.275333
+C	-1.3448802318	 1.5043688496	 1.4831364381	-0.243601
+C	-0.9457202395	 1.1797480626	 0.0084278181	-0.186829
+C	-0.0802247753	-0.0370517544	-0.2200073965	 0.353515
+O	 0.9089641313	-0.2367129033	-0.8766972211	-0.329012
+C	-1.1845770506	-1.0349441288	 0.1551701465	 0.009524
+O	-1.2686437021	-2.1439545994	-0.6911887897	-0.435219
+H	-3.8912605536	-0.7026411238	-1.0366178395	 0.130782
+H	-3.6311064667	 1.0106859846	-1.414983762	 0.113637
+H	-2.5879033661	-0.2370459619	-2.1266874297	 0.124171
+H	-3.5352875771	 1.4066698334	 1.1980640914	 0.106146
+H	-2.9357760498	-0.0104179538	 2.0814322369	 0.102682
+H	-1.4503811146	 2.5725166694	 1.678018214	 0.117539
+H	-0.6633363416	 1.0912216202	 2.2307271566	 0.114544
+H	-0.7977423242	 2.0233883434	-0.6663276018	 0.09096
+H	-1.1660864246	-1.3621305139	 1.2035162975	 0.094448
+H	-0.4934154132	-2.1088314092	-1.2683908951	 0.297047
+19
+0 2608	2.1618864	1.7760237	1.20058	3.3618	75.52	-0.23463	-0.01896	0.21567	1086.3814	0.155319	-422.553725	-422.544668	-422.543724	-422.587518	33.67
+C	-0.7232666607	-2.0552237833	 1.1830129602	-0.414368
+C	-0.9443680663	-1.0595260908	 0.0475539155	-0.185408
+C	 0.0386376362	 0.1347344453	 0.0350954047	 0.423
+O	 1.2330988159	 0.2007558986	 0.1057505506	-0.316657
+C	-1.0843494257	 1.1626348316	 0.026292161	-0.203705
+C	-1.6907317938	 1.3846703186	-1.4052852304	-0.234333
+C	-2.8326702727	 0.371037899	-1.0980124514	-0.293504
+C	-2.1125817395	-0.0121317924	 0.2160301386	 0.400333
+O	-2.8440780047	-0.0728010952	 1.4042505273	-0.471352
+H	-1.476654137	-2.8502926344	 1.1694864265	 0.1089
+H	 0.2608704511	-2.5207722821	 1.0808948634	 0.138688
+H	-0.76986763	-1.5596885661	 2.1559404272	 0.136157
+H	-0.9693214907	-1.5822101825	-0.9160949743	 0.09073
+H	-1.0148420618	 2.034465078	 0.6762804911	 0.096557
+H	-2.0250735313	 2.4082057884	-1.5776090482	 0.120739
+H	-1.023347445	 1.1016586349	-2.2224683732	 0.116297
+H	-3.7787336621	 0.8764946025	-0.8882321126	 0.110834
+H	-3.0084720477	-0.427851223	-1.8242741052	 0.09534
+H	-3.3568789243	-0.8890375671	 1.4097414793	 0.281753
+19
+0 2609	2.2319762	1.6474757	1.3277907	2.3456	75.41	-0.24056	-0.02553	0.21503	1067.5043	0.155055	-422.549594	-422.540613	-422.539668	-422.583126	33.143
+C	-0.9919345923	-2.0721992207	-1.1773799086	-0.415826
+C	-0.8490921281	-0.9827182412	-0.1250249674	-0.150945
+C	 0.1117633951	 0.1966464699	-0.3806453692	 0.402192
+O	 1.2570829308	 0.2684474469	-0.7225752772	-0.306085
+C	-0.9599697148	 1.2451937055	-0.0475005015	-0.274247
+C	-1.7855369877	 1.6102682608	-1.2997428764	-0.09205
+O	-2.6118262538	 0.4346612845	-1.1651091915	-0.3217
+C	-1.9867737685	 0.065909626	 0.0932054823	 0.426446
+C	-2.9861269398	-0.1289612035	 1.2018843175	-0.478406
+H	-1.6472074975	-2.8778153953	-0.8321122469	 0.119304
+H	-1.417375386	-1.6566801528	-2.0940452786	 0.138169
+H	-0.0138924646	-2.5039972233	-1.4087411105	 0.134242
+H	-0.5725949735	-1.4113179341	 0.8498001246	 0.102239
+H	-0.7438363456	 2.0171393515	 0.6898484148	 0.101017
+H	-2.3754973061	 2.5274322537	-1.1830313111	 0.112333
+H	-1.2487828768	 1.6466385308	-2.2540848579	 0.120381
+H	-3.6376957557	-0.98044796	 0.9765175879	 0.134891
+H	-2.4823444671	-0.3277725808	 2.153108263	 0.120592
+H	-3.6177351281	 0.7564658019	 1.3177089567	 0.127452
+19
+0 2610	2.1430897	1.802891	1.1846403	3.7923	75.31	-0.23141	-0.03455	0.19686	1093.8178	0.155298	-422.538504	-422.529518	-422.528574	-422.572269	33.012
+C	-0.6680112002	-1.9846738672	 1.3231898283	-0.414875
+C	-0.9447579393	-1.0704574498	 0.1297912162	-0.177443
+C	 0.0482348126	 0.1103306052	 0.0142745995	 0.429964
+O	 1.2419426332	 0.1805975873	 0.0453609301	-0.301399
+C	-1.0914719952	 1.1471868437	-0.0131790403	-0.068221
+O	-1.5657617409	 1.3260849176	-1.3669713874	-0.288397
+C	-2.6340185504	 0.3669591904	-1.1765251932	-0.114711
+C	-2.1165336086	-0.0218973655	 0.2218919368	 0.275021
+C	-3.0992393812	-0.0966420525	 1.3681449932	-0.498991
+H	-1.4659490712	-2.7221047831	 1.4526369714	 0.121839
+H	 0.2722492504	-2.5197265142	 1.1637168366	 0.141004
+H	-0.569582383	-1.4217681001	 2.2564518612	 0.123251
+H	-0.9927771878	-1.6704344518	-0.7863070625	 0.101686
+H	-1.0074082179	 2.083842241	 0.5457320074	 0.087383
+H	-3.6118030015	 0.8663642567	-1.1772571926	 0.101952
+H	-2.6300446836	-0.4187196283	-1.9419652082	 0.105327
+H	-3.7441847004	-0.9786536326	 1.2775925999	 0.125588
+H	-2.5957627037	-0.1568649645	 2.3374135114	 0.126253
+H	-3.7462370011	 0.7863614274	 1.3839067221	 0.124769
+19
+0 2611	2.4669577	1.5455329	1.2033262	3.0773	77.74	-0.24879	-0.05427	0.19452000000000003	1097.6016	0.155772	-422.600163	-422.59109	-422.590146	-422.633421	34.389
+C	-3.0725130243	-1.021077079	 1.2503141995	-0.405257
+C	-2.3699234927	-0.7023109206	-0.0848111254	 0.187753
+C	-3.2347680284	-1.170202897	-1.2649738795	-0.440553
+C	-2.0688166276	 0.7851670251	-0.1663029351	-0.054133
+C	-0.7867299532	 1.1042545965	 0.0631944184	-0.20482
+C	-0.0358380262	-0.1352109893	 0.33074825	 0.338416
+O	 1.0477007965	-0.2935959499	 0.8508807921	-0.352508
+C	-0.9318399637	-1.2972213289	-0.1131361512	 0.010137
+O	-0.7263235852	-2.4442382963	 0.6644971853	-0.436515
+H	-3.2433440118	-2.0968372391	 1.3350742125	 0.137855
+H	-2.4645510114	-0.7099002117	 2.1036969706	 0.122587
+H	-4.0370222445	-0.5061783532	 1.3092455481	 0.108196
+H	-3.3911295301	-2.2524543818	-1.2189572103	 0.133217
+H	-4.2182948844	-0.6878878755	-1.247175041	 0.113816
+H	-2.761570418	-0.9363630151	-2.2242162452	 0.118129
+H	-2.8613975283	 1.5012593302	-0.3656092488	 0.116068
+H	-0.3561411734	 2.0956448958	 0.119291052	 0.123027
+H	-0.6754794953	-1.4958540042	-1.1698531784	 0.091656
+H	 0.1492701919	-2.3289849659	 1.0644067366	 0.292929
+19
+0 2612	2.4652581	1.4996551	1.1752552	3.4616	77.52	-0.23757	-0.04888	0.18869	1116.5194	0.155342	-422.600683	-422.591393	-422.590449	-422.634709	34.841
+C	-0.5649737033	-2.1632926095	 1.2044547371	-0.411669
+C	-0.8602036581	-1.158676775	 0.0909147653	-0.155313
+C	-0.0126948654	 0.1207278091	 0.2234690912	 0.380752
+O	 1.1748365752	 0.1559404851	 0.4464777203	-0.335751
+C	-0.9194315643	 1.2764234364	 0.0244375587	-0.197497
+C	-2.1804688612	 0.8570070002	-0.0932141771	-0.045317
+C	-2.3338560048	-0.6509850774	-0.0121534547	 0.306881
+C	-3.0746550599	-1.2123763379	-1.2314548886	-0.446639
+O	-3.0976384983	-0.8874570439	 1.1731536646	-0.459783
+H	-1.048323809	-3.1282810798	 1.0171068621	 0.101378
+H	 0.5138939769	-2.3278241488	 1.2620353664	 0.14096
+H	-0.9118837383	-1.7874128593	 2.169701451	 0.135136
+H	-0.570582365	-1.605597443	-0.8692984178	 0.097763
+H	-0.5641854361	 2.2991489546	 0.0142296216	 0.120274
+H	-3.0564849617	 1.4861378958	-0.2122136791	 0.119504
+H	-3.1466001876	-2.3050132292	-1.1653097967	 0.114881
+H	-4.0886602384	-0.8046345759	-1.282114724	 0.125664
+H	-2.5514348398	-0.9696290988	-2.1613173642	 0.127176
+H	-3.3161597709	-1.8254330727	 1.2026930639	 0.2816
+19
+0 2613	2.2836314	1.5426808	0.9690071	2.7517	79.3	-0.24024	-0.02433	0.21591000000000002	1224.0878	0.15472	-422.599493	-422.58987	-422.588926	-422.633793	35.005
+C	-1.1992320203	 2.2253255074	-0.9723364038	-0.493032
+C	-1.0491253631	 0.8093849232	-0.512080221	 0.200425
+C	 0.0690984433	 0.1779859288	-0.1140550833	 0.196419
+C	 1.4632296047	 0.7030932839	 0.0071744267	-0.501049
+C	-0.2029489816	-1.2800461462	 0.1949254593	-0.024011
+O	 0.4110255422	-1.7624784735	 1.3677800064	-0.442873
+C	-1.7301719416	-1.2951367453	 0.3024246072	 0.358713
+O	-2.3354722237	-2.0678161885	 1.0018181376	-0.318726
+C	-2.2664027733	-0.0967952912	-0.4663457648	-0.411523
+H	-1.9356206871	 2.7587770811	-0.3576161329	 0.130267
+H	-0.2597814167	 2.7804749235	-0.932662905	 0.129025
+H	-1.570791912	 2.2654643509	-2.0045930394	 0.128586
+H	 1.8570447118	 0.4792806502	 1.0043424569	 0.151446
+H	 2.1319992178	 0.2093706879	-0.710053514	 0.128385
+H	 1.5246806017	 1.7807211047	-0.1582693381	 0.121372
+H	 0.0945587468	-1.9081315256	-0.6684105111	 0.089687
+H	-0.2578349773	-2.3078688654	 1.8066724239	 0.293029
+H	-2.6047407709	-0.4045301041	-1.4671401279	 0.132479
+H	-3.1371113208	 0.3399480483	 0.0366677832	 0.131382
+19
+0 2614	2.4234695	1.2558738	1.1363991	1.9374	76.4	-0.25153	-0.03358	0.21794999999999998	1184.6956	0.153167	-422.580628	-422.570746	-422.569802	-422.615607	35.277
+C	-0.9933593545	-2.1590302296	-1.1590360481	-0.422145
+C	-0.9264448249	-0.9665954543	-0.2140762657	-0.123175
+C	-0.055151346	 0.2431435034	-0.5688696033	 0.39343
+O	 0.9756525042	 0.3669241759	-1.1640142523	-0.293987
+C	-1.0955054648	 1.2293592754	-0.0228694942	-0.395058
+C	-2.135898087	 0.047169522	-0.0097013591	 0.168651
+C	-2.9750260938	-0.1430872225	 1.2446196763	-0.465265
+C	-2.9883680226	 0.120432512	-1.2554973605	 0.140013
+O	-4.179630431	-0.0537390122	-1.2861314295	-0.258118
+H	-1.7400199652	-2.8859287858	-0.8250617949	 0.131698
+H	-1.2432967622	-1.8593013724	-2.1804901927	 0.130727
+H	-0.0219125004	-2.6604996351	-1.1924966294	 0.140621
+H	-0.6316263577	-1.3024563309	 0.7896559161	 0.113528
+H	-0.8546498018	 1.5654320582	 0.9904514596	 0.139019
+H	-1.3095195634	 2.1049603802	-0.6415324627	 0.137316
+H	-3.5536355325	-1.0693693783	 1.1895632669	 0.136422
+H	-2.3374470407	-0.1836596404	 2.1333276827	 0.110141
+H	-3.688747456	 0.6764566529	 1.367883445	 0.134059
+H	-2.4259812797	 0.3661038015	-2.1869185043	 0.082125
+19
+0 2615	3.0258506	1.2971737	1.0887135	3.783	75.63	-0.23513	-0.02052	0.21461	1162.8677	0.15502	-422.547026	-422.538006	-422.537061	-422.581434	32.728
+C	-1.157467718	-2.0729257522	 1.2058768839	-0.409249
+C	-1.0113353514	-1.0607759394	 0.0796918697	-0.159435
+C	 0.0878587656	 0.0126646635	 0.1790544935	 0.389915
+O	 1.226876083	-0.0046128925	 0.5448334048	-0.296275
+C	-0.8805796966	 1.1232112976	-0.2646674619	-0.410216
+C	-2.0397058843	 0.1102340652	-0.0597015287	 0.421363
+C	-3.3001675511	 0.03705205	-0.9387852521	-0.363923
+C	-4.0638335113	 0.272458675	 0.3781120086	-0.07043
+O	-2.829501843	 0.3571996533	 1.1238159208	-0.308284
+H	-0.2292240935	-2.6391788157	 1.3237937669	 0.133841
+H	-1.3800653539	-1.5684328745	 2.1487904338	 0.141024
+H	-1.9668124631	-2.7811598692	 1.0023067515	 0.115203
+H	-0.9069522962	-1.563967532	-0.8923425736	 0.101385
+H	-0.9168500118	 2.0162692765	 0.363875507	 0.141063
+H	-0.7296287709	 1.4193677816	-1.3083708913	 0.12829
+H	-3.3909280902	 0.8332862169	-1.6801196447	 0.115207
+H	-3.4747536569	-0.925673269	-1.4235482565	 0.114232
+H	-4.6393903373	 1.2028273635	 0.441206062	 0.108524
+H	-4.6902044391	-0.5591997087	 0.720866196	 0.107766
+19
+0 2616	3.0390529	1.2245291	1.033408	1.1928	75.32	-0.24261	-0.02563	0.21698	1193.2101	0.155224	-422.539605	-422.530624	-422.52968	-422.574252	32.414
+C	-0.9815665156	-2.1150005775	 1.1124183227	-0.416146
+C	-0.9351525879	-1.0080540969	 0.0688379101	-0.164228
+C	 0.0564654008	 0.1488248667	 0.2768760668	 0.395665
+O	 1.17019296	 0.2096729687	 0.7105432587	-0.295273
+C	-0.9907571159	 1.1939776519	-0.1373182214	-0.425773
+C	-2.062943885	 0.0722036411	-0.0444557348	 0.265583
+C	-3.1914276285	 0.1772234276	 1.0055091692	-0.125587
+O	-4.2078696649	 0.0760482537	-0.010887621	-0.270821
+C	-3.2200227267	-0.0482544323	-1.0518253805	-0.135273
+H	-1.7934435323	-2.8211733816	 0.9111280447	 0.125926
+H	-0.0389888929	-2.669718643	 1.1104335907	 0.139152
+H	-1.1230698003	-1.7106516358	 2.1193448699	 0.125765
+H	-0.7589920751	-1.4374155503	-0.9280627421	 0.10489
+H	-1.0989626989	 2.0579074845	 0.5245856083	 0.133232
+H	-0.8300453698	 1.556925748	-1.1588472985	 0.132373
+H	-3.2563857045	-0.6445393971	 1.7295044139	 0.105197
+H	-3.2424298457	 1.1314410231	 1.5461557745	 0.102458
+H	-3.2907982433	-1.0128668228	-1.5732119202	 0.10056
+H	-3.2933196435	 0.7609784119	-1.7906849708	 0.1023
+19
+0 2617	3.0359732	1.3015764	1.0823782	4.2275	75.2	-0.26627	0.01396	0.28023	1167.6562	0.156708	-422.581665	-422.573109	-422.572165	-422.615007	31.927
+C	-0.9406519542	-2.0567791567	 1.2640223291	-0.412667
+C	-0.9586153938	-1.1093612958	 0.0713962831	-0.27651
+C	 0.0486426581	 0.041787398	 0.1049963032	 0.444815
+O	 1.2267458391	 0.1793595016	 0.1946452784	-0.330956
+O	-0.9073933313	 1.0198033711	 0.0107920215	-0.282435
+C	-1.9967474197	 0.0391985298	-0.0099994844	 0.456922
+C	-3.0177611334	 0.1227427862	-1.1582359783	-0.290396
+C	-4.134550611	-0.1851018363	-0.1203863478	-0.215292
+C	-3.1391247342	 0.2040819303	 1.0095984319	-0.288453
+H	-1.7798213832	-2.7581653492	 1.2242307587	 0.124433
+H	-0.0134561272	-2.6367182566	 1.2633029613	 0.143055
+H	-0.9923322303	-1.5126882731	 2.2113350034	 0.132305
+H	-0.8876870267	-1.6680680141	-0.8673103387	 0.111248
+H	-3.0824142994	 1.1469811204	-1.5349408215	 0.125127
+H	-2.8858804659	-0.5589018037	-2.0021629463	 0.105177
+H	-5.0542795993	 0.3967366572	-0.1935936982	 0.111004
+H	-4.3932932202	-1.2464731519	-0.0942964238	 0.110132
+H	-3.2360862821	 1.2545745519	 1.2961278245	 0.12498
+H	-3.1134821855	-0.4080405091	 1.9133831341	 0.10751
+19
+0 2618	2.9579071	1.3288201	1.1275765	2.232	75.87	-0.24869	-0.02692	0.22177	1135.0984	0.155838	-422.55081	-422.542032	-422.541088	-422.584378	32.813
+O	-1.5097421414	-2.3099987182	 0.623832876	-0.429097
+C	-1.1877135146	-1.2017344151	-0.1601736602	 0.009195
+C	-0.0552710355	-0.2992214672	 0.3219162176	 0.340225
+O	 0.8314123123	-0.5166482853	 1.1021030147	-0.310064
+C	-0.7661350452	 0.9584986403	-0.1815606085	-0.422776
+C	-2.0697720259	 0.1068771213	-0.1471071524	 0.293911
+C	-3.0653831466	 0.2152254584	 1.0366905216	-0.265523
+C	-4.2144861188	-0.1022356857	 0.0402474554	-0.202873
+C	-3.2521081863	 0.2322251037	-1.1332057256	-0.30031
+H	-0.8912969316	-2.3175908703	 1.3659379862	 0.298508
+H	-1.0367873803	-1.5112324638	-1.2051879689	 0.102601
+H	-0.7055879937	 1.8403134909	 0.459935003	 0.130644
+H	-0.4680483494	 1.228987339	-1.2001208764	 0.129377
+H	-2.9175871677	-0.4852153336	 1.8614324904	 0.10712
+H	-3.1219830703	 1.2332633103	 1.4326823151	 0.099318
+H	-4.4801803348	-1.1617271075	 0.0595870937	 0.118923
+H	-5.1267124151	 0.4918747012	 0.1226995637	 0.098914
+H	-3.2460750124	-0.4380473363	-1.997959243	 0.09921
+H	-3.3769275027	 1.2596757778	-1.4894915624	 0.102697
+19
+0 2619	2.4028605	1.7069118	1.1567091	2.3746	74.92	-0.25025	-0.0291	0.22114999999999996	1083.3481	0.156252	-422.579075	-422.57042	-422.569476	-422.612524	33.065
+C	-3.3630965161	-1.5682418311	 0.4923768376	-0.467898
+C	-2.2675696006	-0.8038656673	-0.2100033372	 0.30817
+C	-2.56531651	 0.0091372894	-1.4431841382	-0.327099
+C	-2.1721333138	 0.7246912811	-0.1754906798	-0.084324
+C	-0.71955343	 1.1507013718	-0.019571706	-0.354254
+C	 0.0255963522	-0.1534304082	 0.2581620119	 0.37464
+O	 1.0737956427	-0.2851264861	 0.8387424987	-0.318982
+C	-0.8402566705	-1.362139515	-0.1562510064	-0.018314
+O	-0.6768648359	-2.4084714275	 0.7693472897	-0.440048
+H	-3.1015964837	-1.7597629642	 1.5360426934	 0.1323
+H	-4.3005842912	-1.0037301063	 0.4657641965	 0.107961
+H	-3.5394142194	-2.5380597928	 0.0147540688	 0.125422
+H	-1.8557396754	-0.0085361997	-2.2678826065	 0.10521
+H	-3.6020334512	 0.0768118794	-1.7565795156	 0.114768
+H	-2.9290826856	 1.3010996854	 0.3443639397	 0.092621
+H	-0.3055215332	 1.6381148269	-0.9114794688	 0.132601
+H	-0.5578600429	 1.8336344554	 0.8189582297	 0.138054
+H	-0.515195606	-1.6873711134	-1.1612596655	 0.086679
+H	 0.1988977507	-2.274787388	 1.1612094579	 0.292491
+19
+0 2620	2.4598445	1.6420114	1.1693537	2.271	74.46	-0.23904	-0.02085	0.21819	1083.0127	0.156087	-422.580962	-422.572276	-422.571332	-422.614038	33.421
+C	-0.4894958479	-1.9434268604	 1.3872378928	-0.429105
+C	-0.7547869433	-1.2520005398	 0.0387231354	-0.159359
+C	 0.1293012817	 0.0043913493	-0.0834071177	 0.383735
+O	 1.3215183089	-0.0083898921	-0.2458309678	-0.316233
+C	-0.733227801	 1.2692981479	 0.0666186291	-0.334749
+C	-2.1629191374	 0.7926286944	-0.0687357417	-0.119739
+C	-2.5104118876	 0.0379736409	-1.340393976	-0.331328
+C	-2.1813182982	-0.7313673737	-0.1010906608	 0.408924
+O	-3.2311163286	-1.4697827675	 0.4450537971	-0.46946
+H	-1.1030774053	-2.8433926957	 1.4829787718	 0.129963
+H	 0.56262357	-2.2288879983	 1.4589349831	 0.143125
+H	-0.714105103	-1.281619263	 2.2327684373	 0.111392
+H	-0.4846185363	-1.9447767853	-0.7661338214	 0.104163
+H	-0.5369657096	 1.6972864484	 1.0583650869	 0.129536
+H	-0.4224336415	 2.0194948246	-0.6680870716	 0.131194
+H	-2.9613614844	 1.3314373733	 0.4277464169	 0.092246
+H	-3.5547366688	 0.033887296	-1.6298703802	 0.126981
+H	-1.8080768649	 0.0447189323	-2.1699707699	 0.115412
+H	-3.1395375228	-1.4635444113	 1.4040830064	 0.283303
+19
+0 2621	2.5091439	1.6457166	1.1815014	3.1368	74.71	-0.24472	-0.01852	0.22619999999999998	1089.0264	0.155442	-422.58557	-422.576749	-422.575805	-422.618834	33.146
+C	-0.6222616969	-2.1808957761	 1.2096705262	-0.402752
+C	-0.7715344775	-1.1321253309	 0.1050661316	-0.165747
+C	 0.0724102523	 0.1295771064	 0.3836268158	 0.392245
+O	 1.1839175877	 0.1225869764	 0.8415375637	-0.308795
+C	-0.719460832	 1.3851753197	-0.0155513678	-0.357121
+C	-2.133481585	 0.8824537718	-0.1642247327	-0.022888
+O	-2.6031964926	 0.2100607531	 1.0149418542	-0.302448
+C	-2.1780944028	-0.5917572879	-0.1054938476	 0.407535
+C	-3.2386361475	-1.4312200235	-0.7621634407	-0.488812
+H	-1.0851117309	-3.1303080559	 0.9258700598	 0.113184
+H	 0.4377617229	-2.3544926188	 1.4099670423	 0.13989
+H	-1.0931613246	-1.8263042899	 2.1308200126	 0.137104
+H	-0.4035467914	-1.5480199923	-0.845767458	 0.099352
+H	-0.6052260509	 2.1654505048	 0.7418276332	 0.143659
+H	-0.3251443471	 1.7796555933	-0.9609999756	 0.129681
+H	-2.881752663	 1.4603371696	-0.7013965615	 0.096432
+H	-3.4472186278	-2.32819618	-0.1695121844	 0.134339
+H	-4.168840359	-0.8657556757	-0.8595939177	 0.131955
+H	-2.9174947037	-1.7542740541	-1.7581436432	 0.123187
+19
+0 2622	2.512102	1.6870153	1.1648863	4.2249	74.48	-0.26538	0.01021	0.27559	1087.28	0.156754	-422.594119	-422.585615	-422.584671	-422.626932	32.506
+C	-0.4517751811	-1.9404650199	-1.4333710342	-0.41248
+C	-0.7570184352	-1.2034575564	-0.1213870064	-0.224595
+C	 0.1036133619	 0.0692574079	-0.037086784	 0.433167
+O	 1.2962451769	 0.1449720973	-0.0791823311	-0.339928
+O	-0.6911200039	 1.1733803976	 0.0850485356	-0.217866
+C	-2.0541768244	 0.800125722	 0.1502014367	 0.059279
+C	-2.4604812504	 0.0182894394	 1.3644815234	-0.363811
+C	-2.1888550105	-0.6964695011	 0.0472171335	 0.313704
+C	-3.337079623	-1.3606246331	-0.6760898045	-0.484987
+H	-0.9891036164	-2.8910250004	-1.485458109	 0.121903
+H	-0.7295902015	-1.3407619598	-2.305882368	 0.125816
+H	 0.6203947667	-2.1422811135	-1.4917898703	 0.146513
+H	-0.4570213832	-1.8466669436	 0.7141289122	 0.112938
+H	-2.7032186931	 1.5163727487	-0.3379908944	 0.112963
+H	-1.7380735703	-0.0590407121	 2.1715954476	 0.125223
+H	-3.4947881222	 0.0843167882	 1.6850200398	 0.119994
+H	-4.2646981833	-0.8000527378	-0.5243220919	 0.119192
+H	-3.1608913751	-1.4230808725	-1.7540954024	 0.127094
+H	-3.505381742	-2.3775934809	-0.3037779026	 0.125883
+19
+0 2623	2.603074	1.5666823	1.1091077	3.133	74.85	-0.23985	-0.01905	0.2208	1114.4043	0.156045	-422.574244	-422.565586	-422.564642	-422.607712	32.429
+C	-1.1628919502	-2.0446393003	 1.1645729521	-0.41286
+C	-0.8682664061	-1.0128950614	 0.0807859136	-0.177556
+C	-0.3454773544	 0.3296653575	 0.626614819	 0.402755
+O	 0.392668962	 0.4543107769	 1.5685947624	-0.317956
+C	-0.9260141284	 1.4727933093	-0.2168780929	-0.324158
+C	-1.6598877987	 0.7848305478	-1.3822258964	-0.299563
+C	-2.0199063206	-0.5869458401	-0.8226415457	 0.412631
+C	-2.9816426166	-1.4944440043	-1.4451001083	-0.259571
+O	-3.3459539908	-0.7242141132	-0.2916012001	-0.264817
+H	-1.307412505	-3.0422925145	 0.7402637583	 0.11292
+H	-0.325474948	-2.0829662096	 1.8654658773	 0.139479
+H	-2.0679472325	-1.7734655202	 1.7124401607	 0.141071
+H	-0.0591449611	-1.3809691773	-0.5712138695	 0.110235
+H	-1.6257092099	 2.0223061137	 0.4243519406	 0.145984
+H	-0.1438516286	 2.1760100973	-0.5120186552	 0.130943
+H	-2.5519875884	 1.31794649	-1.7164681472	 0.119975
+H	-0.9913691244	 0.6679151904	-2.2432012782	 0.110864
+H	-3.4745709173	-1.2045934447	-2.3728399004	 0.113746
+H	-2.9035970811	-2.5683698771	-1.2811676902	 0.115877
+19
+0 2624	2.7106001	1.4478699	1.1839906	1.882	75.34	-0.23999	-0.02453	0.21546	1108.6056	0.155874	-422.563868	-422.55521	-422.554266	-422.597228	32.61
+C	-0.4234212616	-2.031982982	-1.2831521251	-0.397666
+C	-0.9361670542	-1.2681058186	-0.0490431651	-0.196553
+C	-0.0635645364	-0.0256436852	 0.1866994392	 0.373864
+O	 1.0653928184	 0.0013139645	 0.5972673627	-0.308648
+C	-0.9128141472	 1.1839842181	-0.219626863	-0.19545
+O	-2.0780338306	 0.6495545702	-0.8220477401	-0.290299
+C	-2.2996760593	-0.6264620417	-0.2419012339	 0.450567
+C	-3.5498679236	-1.3214072969	-0.6480812076	-0.33988
+C	-3.4215584954	-0.7522502003	 0.7571984511	-0.337033
+H	-1.0191189098	-2.9331529463	-1.4535420865	 0.122071
+H	-0.4887692206	-1.4093195273	-2.1805282278	 0.132176
+H	 0.6200049209	-2.3251084826	-1.1393793481	 0.13586
+H	-0.8908055334	-1.9112006253	 0.8339155902	 0.104383
+H	-1.1432636448	 1.7765608957	 0.6807547626	 0.122081
+H	-0.3917933875	 1.8281214431	-0.9331276639	 0.138511
+H	-4.1968043097	-0.7958947993	-1.3415578865	 0.129657
+H	-3.5241879315	-2.3980288344	-0.7770524661	 0.118469
+H	-3.9862067933	 0.1465119503	 0.9778954459	 0.123316
+H	-3.3108806103	-1.4431343319	 1.586632512	 0.114574
+19
+0 2625	2.7435497	1.4253331	1.1655912	4.3132	74.81	-0.25954	0.01402	0.27355999999999997	1116.719	0.157427	-422.591796	-422.583326	-422.582382	-422.62497	31.829
+C	-1.0284978844	-1.5071778058	 1.5255463143	-0.398134
+C	-0.7506255047	-1.2373921308	 0.0363057285	-0.247177
+C	 0.211079565	-0.0527417179	-0.1002965764	 0.446447
+O	 1.3776550494	-0.019535326	 0.162971175	-0.346671
+O	-0.4615155686	 1.0402620426	-0.5579859988	-0.222192
+C	-1.8566435205	 0.7488898045	-0.7381641548	-0.1473
+C	-1.9504585296	-0.769886366	-0.7739731592	 0.345688
+C	-2.3694146511	-1.4717125613	-2.0405550463	-0.314691
+C	-3.2731339251	-1.4751401841	-0.8296984968	-0.328271
+H	-1.688454227	-2.3711536096	 1.6431586457	 0.120635
+H	-0.0916064471	-1.7101943671	 2.0506488425	 0.14365
+H	-1.5088532064	-0.6487231704	 2.0061596839	 0.124417
+H	-0.269449768	-2.1159169239	-0.4018751361	 0.108664
+H	-2.4128658398	 1.1855102382	 0.1012709777	 0.115291
+H	-2.1879632832	 1.2282708286	-1.6630379282	 0.122451
+H	-2.6571982498	-0.8642832344	-2.89269765	 0.118218
+H	-1.8634134916	-2.3955162089	-2.3014333837	 0.120768
+H	-4.1742756799	-0.8702386413	-0.8613806214	 0.117552
+H	-3.3844906577	-2.4009298161	-0.2752277258	 0.120656
+19
+0 2626	2.5324282	1.6095372	1.1497258	2.5589	75.19	-0.24876	-0.02703	0.22173	1093.6063	0.156902	-422.57866	-422.570245	-422.569301	-422.611563	32.398
+O	-0.8752772769	-2.4379591615	 0.4714566361	-0.442752
+C	-0.7850233176	-1.2488014526	-0.2574977818	-0.013671
+C	-0.4414763934	-0.0494197494	 0.6255496002	 0.376175
+O	 0.0684768265	-0.1632207521	 1.7133777777	-0.332691
+C	-0.9687108316	 1.2185314061	-0.0387850775	-0.324343
+C	-1.7717320309	 0.7071021087	-1.2611517395	-0.305099
+C	-2.0575814978	-0.7597502431	-0.9388797526	 0.331489
+C	-2.9207065689	-1.6481730034	-1.777628726	-0.340648
+C	-3.3956728184	-1.2078157705	-0.4091428314	-0.302088
+H	-0.4740629425	-2.2453504373	 1.3331214163	 0.293219
+H	 0.0110684965	-1.3254743802	-1.0248827442	 0.090126
+H	-1.5980610137	 1.7404351483	 0.6893579083	 0.142478
+H	-0.1498699681	 1.898203323	-0.2927431246	 0.134711
+H	-2.6858677938	 1.2798001255	-1.4340592442	 0.110276
+H	-1.1660755196	 0.781506909	-2.1723533252	 0.109116
+H	-3.4019389365	-1.2175996315	-2.6502630187	 0.109606
+H	-2.6194051219	-2.6839391392	-1.8936574155	 0.126175
+H	-4.1975140176	-0.4787935607	-0.3544283373	 0.1066
+H	-3.3889451038	-1.9493559992	 0.38096097	 0.131322
+19
+0 2627	2.1883062	1.5630378	1.1302758	3.8912	78.17	-0.23105	-0.01932	0.21173	1150.8255	0.15652	-422.592512	-422.583349	-422.582405	-422.626425	33.75
+C	 1.1994453664	 0.4868700436	-1.4128670893	-0.478418
+C	-0.0392923639	 0.0017335001	-0.7088469787	 0.252886
+C	-0.201847051	-1.2597344862	-0.2927217978	-0.142608
+C	-1.4220597705	-1.7994553997	 0.4055444308	-0.261343
+C	-2.3361277154	-0.6858983571	 0.9589301122	-0.315236
+C	-2.446744586	 0.4214616974	-0.0698164638	 0.390537
+O	-3.4866480478	 0.7753073971	-0.5708588632	-0.313092
+C	-1.1008344969	 1.050346719	-0.4540122671	-0.043832
+O	-0.6854389645	 1.9714681376	 0.5679544765	-0.43435
+H	 1.6124987965	 1.3653955751	-0.9050088916	 0.137719
+H	 1.9704603585	-0.286639528	-1.4568870122	 0.120677
+H	 0.9681455007	 0.7985249494	-2.4392724436	 0.132602
+H	 0.5936776712	-1.9783448772	-0.4827504118	 0.089825
+H	-1.9943216835	-2.4211314641	-0.2976849313	 0.130555
+H	-1.120584026	-2.4756123913	 1.2143175205	 0.113692
+H	-3.3313831301	-1.0574678146	 1.2092201532	 0.121814
+H	-1.8854288853	-0.268963788	 1.8686158561	 0.113494
+H	-1.2715008486	 1.6660422973	-1.3427008177	 0.103381
+H	-0.2521965137	 1.4577493195	 1.2586299187	 0.281696
+19
+0 2628	2.2674161	1.5674799	1.1115928	4.3363	77.82	-0.24837	0.0073	0.25567	1154.8351	0.156572	-422.605029	-422.595872	-422.594927	-422.639345	33.146
+C	 0.0245304932	 1.9482152547	-1.200618729	-0.398392
+C	-0.1400448526	 1.2819400871	 0.1879097168	-0.228041
+C	-1.4903336985	 1.695754961	 0.7671133127	 0.416669
+O	-1.6725545799	 2.7847772311	 1.2421487964	-0.338193
+O	-2.5185576159	 0.8202243962	 0.722216137	-0.228119
+C	-2.3917294596	-0.4954519227	 0.1680989203	-0.115309
+C	-0.9916757353	-1.0153108964	 0.1011590238	-0.181525
+C	 0.0692271573	-0.2134938207	 0.1329692571	 0.307233
+C	 1.4860828968	-0.7123873985	 0.1004587332	-0.483194
+H	-0.7102053718	 1.5588273561	-1.9121102168	 0.124805
+H	-0.1120569469	 3.0284946264	-1.1123259641	 0.146282
+H	 1.0217860266	 1.7553359289	-1.605065104	 0.122173
+H	 0.6006236849	 1.7365299469	 0.8556556397	 0.111332
+H	-3.0108207402	-1.136489792	 0.8055810472	 0.132029
+H	-2.8645882647	-0.4896624742	-0.8254516641	 0.125228
+H	-0.8845847934	-2.0938855151	 0.0256995478	 0.095641
+H	 2.0255320104	-0.4133729097	 1.0080462324	 0.133546
+H	 1.5261508878	-1.801767832	 0.0227597906	 0.126397
+H	 2.0418915517	-0.2904784471	-0.745542987	 0.131437
+19
+0 2629	1.9451087	1.9025584	1.0659821	3.5596	76.23	-0.2466	-0.03565	0.21095000000000003	1143.4811	0.156802	-422.617525	-422.60871	-422.607766	-422.65123	32.554
+C	 0.0425588604	-2.5547665422	-0.1314381446	-0.395008
+C	-0.835845852	-1.3124988357	-0.0648755045	-0.189937
+C	-1.8565927296	-1.2244630257	-1.2141326898	 0.375099
+O	-1.9455997922	-2.086428608	-2.0535347735	-0.293144
+C	-2.7180883345	 0.0302069907	-1.2175402669	-0.293941
+C	-1.841469212	 1.2950692901	-1.1663198686	-0.22144
+C	-0.8716383964	 1.269024761	 0.0293917601	-0.293939
+C	-0.0332680013	-0.0011675106	 0.017295916	 0.375074
+O	 1.1726505109	 0.0056428094	 0.0521695373	-0.29313
+H	 0.7179200611	-2.5903223394	 0.7256124434	 0.123734
+H	-0.57292332	-3.4563631849	-0.1461996795	 0.123738
+H	 0.6498013766	-2.5464373515	-1.0388218829	 0.139271
+H	-1.4502282394	-1.3187373839	 0.8510373129	 0.113742
+H	-3.3521974826	 0.011168028	-2.1062171054	 0.126686
+H	-3.370329431	 0.0050966961	-0.3334628583	 0.11686
+H	-1.2676245642	 1.3767336714	-2.0972042047	 0.125776
+H	-2.4765548111	 2.1836451617	-1.1086876164	 0.117017
+H	-0.1973313372	 2.1277955323	 0.0242571273	 0.126688
+H	-1.4482737254	 1.2946991212	 0.9645241279	 0.116854
+19
+0 2630	1.9830103	1.481765	1.2870066	1.3575	78.85	-0.23327	0.02862	0.26189	1134.7483	0.151904	-422.512	-422.501208	-422.500264	-422.546861	39.471
+C	 0.0215738733	-0.6231820115	-0.073137968	-0.449876
+C	 1.4869946336	-0.263475139	 0.0645469462	 0.202201
+C	 2.1476482579	-0.7518300083	 1.339211031	-0.458882
+C	 2.3316001617	-0.2072051331	-1.1847870258	 0.026804
+O	 1.741908921	-0.540754101	-2.399105139	-0.419798
+C	 1.9712298696	 1.0966158454	-0.4921587207	 0.086155
+O	 3.0612879473	 1.7266326666	 0.1332578398	-0.44709
+C	 1.0428765912	 1.9872653978	-1.1337898778	 0.314663
+C	 0.2902665006	 2.7611901888	-1.6666892064	-0.471077
+H	-0.5675585629	-0.1587834618	 0.7251493388	 0.111619
+H	-0.3833837375	-0.3071175952	-1.0340479747	 0.140286
+H	-0.1051298778	-1.7088711633	 0.0042073745	 0.117345
+H	 2.1320112104	-1.8467496091	 1.3758248414	 0.12145
+H	 3.1843730057	-0.4183529752	 1.4117558005	 0.132531
+H	 1.6108354849	-0.3848447464	 2.222015318	 0.112989
+H	 3.3826133808	-0.4808169657	-1.0829587687	 0.100452
+H	 1.8787489756	 0.1891239293	-3.0135494812	 0.294212
+H	 2.7185783803	 2.2422375893	 0.8724597706	 0.288146
+H	-0.3795224156	 3.4429068424	-2.1297575685	 0.197869
+19
+0 2631	1.9300613	1.5392679	1.320551	1.9157	78.76	-0.23025	0.03814	0.26839	1121.9535	0.152557	-422.516327	-422.505955	-422.505011	-422.550571	38.743
+C	 1.8759097048	 2.2735171515	 0.3769587515	-0.449861
+C	 2.0416026876	 0.9304137522	 1.0414229399	 0.298884
+O	 2.4897926519	 1.0433222226	 2.3707796939	-0.472017
+C	 2.6026896608	-0.2811544879	 0.3528027038	 0.061346
+O	 3.5223136959	-1.0569539874	 1.0279792155	-0.426961
+C	 1.1040455605	-0.2663748253	 0.7468843984	-0.023595
+C	 0.0626022563	-0.176344232	-0.3587632097	-0.466601
+C	 0.70827331	-1.0097248386	 1.9068319994	 0.269298
+C	 0.3724669242	-1.574986966	 2.9171930583	-0.439207
+H	 1.0639000932	 2.8426439651	 0.8418192403	 0.124039
+H	 2.7999022402	 2.8494593761	 0.4893894452	 0.135517
+H	 1.6648088836	 2.177216864	-0.6901797713	 0.120041
+H	 1.8259796537	 0.6453403302	 2.952497509	 0.291996
+H	 2.7913469374	-0.2394800431	-0.7171291859	 0.103094
+H	 3.6512987962	-0.6198088501	 1.8840386395	 0.289763
+H	-0.2577278386	-1.179570734	-0.6549528068	 0.135999
+H	-0.8220854628	 0.3796024297	-0.0323380228	 0.128689
+H	 0.4663769185	 0.3191061206	-1.245229598	 0.120369
+H	 0.0768620665	-2.1204679877	 3.7791746999	 0.199205
+19
+0 2632	2.1077249	1.4346197	1.1991735	2.0901	79.16	-0.2377	0.02464	0.26234	1161.3147	0.152102	-422.515034	-422.504397	-422.503452	-422.549789	39.193
+C	 1.0150294171	 1.0174974397	 0.0685602384	-0.421592
+C	 1.0186011943	-0.4928500636	 0.1010486722	-0.137956
+C	 2.001763202	-1.3094474804	-0.7116037699	 0.38189
+C	 1.5587955307	-2.5649293846	-1.4166021528	-0.444602
+O	 2.9957425881	-0.6367879852	-1.4231456348	-0.47458
+C	 2.1470490527	-1.2619507074	 0.8114876568	 0.04895
+O	 3.2881820673	-0.5292046384	 1.1985992698	-0.465453
+C	 1.8340627419	-2.3867501012	 1.6467181115	 0.326983
+C	 1.5592612683	-3.3170488662	 2.3592775183	-0.446095
+H	 0.6911985584	 1.4411542508	 1.0259865497	 0.112885
+H	 2.0020085878	 1.4161627637	-0.172015685	 0.124382
+H	 0.3223990071	 1.3743803576	-0.7002903084	 0.128969
+H	 0.0424268274	-0.9520596009	 0.2324624808	 0.095724
+H	 0.8002109652	-3.0963043989	-0.8381060531	 0.124879
+H	 1.1391668941	-2.3111342331	-2.3954194364	 0.126516
+H	 2.4108370188	-3.2331387307	-1.5731477574	 0.127938
+H	 3.6197163226	-0.2901170725	-0.7702345377	 0.299099
+H	 3.0590679829	 0.0258236976	 1.9521141147	 0.297475
+H	 1.3271263234	-4.1440080664	 2.9836341532	 0.194586
+19
+0 2633	2.6150426	1.5107817	1.1687879	1.8059	76.99	-0.22037	0.01175	0.23212000000000002	1109.8761	0.155689	-422.558661	-422.549607	-422.548663	-422.59173	34.632
+C	 1.3054782752	 0.8633918417	 0.3115788187	-0.484594
+C	-0.0014486587	 0.1408618552	 0.2898727166	 0.26361
+C	-0.2329423518	-1.170495311	 0.4195164205	-0.183099
+C	-1.678703726	-1.5091210607	 0.2646221125	-0.162183
+C	-2.2621522245	-1.1918620424	-1.1116687299	-0.322632
+C	-2.3708123332	-0.1879884594	-0.0026524571	 0.393046
+O	-3.6686731391	 0.0973027299	 0.4156115521	-0.470388
+C	-1.3062314548	 0.9092420166	 0.084652285	-0.037544
+O	-1.281646135	 1.8206191212	-1.0046809939	-0.426231
+H	 1.3521910092	 1.5698766249	 1.1510070395	 0.124675
+H	 2.1497054234	 0.1741888983	 0.3978616531	 0.119193
+H	 1.4305762832	 1.4617947625	-0.5979539584	 0.134411
+H	 0.533385825	-1.9234618299	 0.5754191917	 0.092818
+H	-2.1474137642	-2.2880185711	 0.8549575034	 0.092595
+H	-1.5716181615	-1.0414858059	-1.9364137761	 0.102327
+H	-3.1983534546	-1.6741325981	-1.3712870363	 0.125226
+H	-3.6384381676	 0.3218010788	 1.352359036	 0.2809
+H	-1.5127752889	 1.5465101874	 0.9585339092	 0.078455
+H	-1.2998775763	 1.299208792	-1.8152147267	 0.279415
+19
+0 2634	2.7267488	1.506772	1.1952604	1.9517	76.5	-0.24114	-0.00363	0.23751	1108.3096	0.155626	-422.560391	-422.551443	-422.550498	-422.593477	33.901
+C	 1.2826371767	 0.8807783086	 0.3624765561	-0.486631
+C	-0.0258027034	 0.168533479	 0.2717093993	 0.271722
+C	-0.2696669606	-1.1443816801	 0.3511255588	-0.196896
+C	-1.7124647945	-1.4271413735	 0.0912577689	-0.059502
+O	-2.1511384472	-1.0057405933	-1.2381669568	-0.316059
+C	-2.3913862478	-0.1436617612	-0.1097976263	 0.377689
+C	-3.8218080527	 0.1840750503	 0.2032767037	-0.498285
+C	-1.3056661325	 0.9457270086	-0.0472680429	-0.013334
+O	-1.2117025425	 1.6674220995	-1.2664592101	-0.43423
+H	 1.2903150872	 1.5846711408	 1.2048744481	 0.127271
+H	 2.1186457565	 0.1876961608	 0.486171589	 0.12259
+H	 1.4480456785	 1.4775680454	-0.5415354616	 0.144716
+H	 0.4686927339	-1.9177416114	 0.5290929771	 0.099997
+H	-2.212068255	-2.314870071	 0.4670815745	 0.096876
+H	-3.9230433858	 0.5383992285	 1.2345668074	 0.123462
+H	-4.1793827373	 0.977762406	-0.4618642324	 0.137669
+H	-4.4588929633	-0.6934070307	 0.0680074064	 0.129509
+H	-1.5287028108	 1.6930562718	 0.7244615775	 0.084359
+H	-1.2116474295	 0.989608792	-1.9569358066	 0.289077
+19
+0 2635	2.8347834	1.5004425	1.0955449	1.9688	77.29	-0.2418	0.02053	0.26233	1132.7924	0.156332	-422.556556	-422.547921	-422.546977	-422.589503	32.977
+C	 1.4285902995	 0.7972102466	 0.0122999825	-0.493478
+C	 0.1173757976	 0.1305533948	 0.268262805	 0.298897
+C	-0.1359822413	-1.1661999647	 0.4611355467	-0.179021
+C	-1.6018598151	-1.4571643886	 0.6991499861	-0.3439
+C	-2.2472174689	-0.1300150335	 0.3238936661	 0.366436
+C	-3.6739358318	 0.1820951775	 0.3345689097	-0.244646
+O	-2.999912902	-0.1076626061	-0.9028593431	-0.275244
+C	-1.1578198241	 0.9554034255	 0.3862681644	-0.024408
+O	-1.333296852	 1.9563944178	-0.5921886537	-0.438291
+H	 1.6954531958	 1.4722442849	 0.8361201416	 0.1256
+H	 2.2372482398	 0.07208834	-0.1112587479	 0.119234
+H	 1.3675055112	 1.4188057202	-0.8874940722	 0.141439
+H	 0.6163034059	-1.948050844	 0.4737786036	 0.090752
+H	-1.9978231654	-2.2697971674	 0.0803574978	 0.122502
+H	-1.8023145653	-1.7217261302	 1.7468032801	 0.112606
+H	-4.396334415	-0.5696553771	 0.6486947756	 0.118023
+H	-3.9925549406	 1.2168377006	 0.4513587221	 0.123499
+H	-1.1773826565	 1.4676605271	 1.3604573052	 0.088693
+H	-1.8262418618	 1.5315544468	-1.3096503697	 0.291308
+19
+0 2636	1.8610348	1.4618173	1.0449326	2.9177	77.88	-0.24507	-0.03847	0.2066	1242.8698	0.153648	-422.579999	-422.570092	-422.569148	-422.615544	34.684
+C	-2.8622205959	 0.0239915729	 1.3858364432	-0.419629
+C	-2.0385666277	 0.110464809	 0.1098321738	 0.003226
+C	-0.9830574218	-1.0160239149	-0.1568404292	-0.107711
+C	-1.2417064039	-2.0826021936	-1.2140638334	-0.411017
+C	 0.0377168873	 0.0792864563	-0.4811346424	 0.379863
+O	 1.1098851079	 0.100071552	-1.0068224227	-0.289658
+C	-0.9269217898	 1.1935701693	 0.0396884579	-0.23892
+C	-1.1120698871	 2.3715690262	-0.8792600135	 0.146052
+O	-2.0935903672	 2.5546098065	-1.5546655427	-0.241746
+H	-3.5254948896	-0.8472550714	 1.3688128823	 0.123298
+H	-2.2186101635	-0.0646224366	 2.2691081486	 0.112438
+H	-3.4868330164	 0.9139807619	 1.5129866607	 0.130014
+H	-2.6923026924	 0.2313924894	-0.7591759485	 0.106329
+H	-0.6850801492	-1.4857950406	 0.7917660502	 0.10343
+H	-2.040028305	-2.7608359028	-0.8968526287	 0.124039
+H	-1.5394470598	-1.6295147743	-2.1648217786	 0.129601
+H	-0.3401348776	-2.6759129448	-1.3918747086	 0.137319
+H	-0.5746084633	 1.5477610079	 1.0174766745	 0.117258
+H	-0.2455918449	 3.0658144876	-0.9201482429	 0.095812
+19
+0 2637	2.4269473	1.502588	1.0391931	3.7384	79.26	-0.24332	-0.04765	0.19567	1179.5717	0.156036	-422.603928	-422.594681	-422.593737	-422.637733	34.141
+C	-1.2441034195	-1.734288846	-1.4566632041	-0.384396
+C	-1.2913076068	-1.1145502179	-0.0494822659	-0.135199
+C	-2.4396115104	-0.0881610289	 0.1116389398	 0.039355
+O	-3.5249632571	-0.2402459205	-0.7621336155	-0.437166
+C	-1.7420546666	 1.2648249891	-0.0738022203	 0.351198
+O	-2.3248609263	 2.2627225623	-0.4451053647	-0.360704
+C	-0.3213979517	 1.050225981	 0.2202299255	-0.293141
+C	-0.0584544886	-0.2707499395	 0.2515249266	 0.330114
+C	 1.2666726002	-0.9075504163	 0.5099002648	-0.491687
+H	-0.4130603143	-2.4400135092	-1.5471983935	 0.109491
+H	-2.1760785001	-2.2643094569	-1.6615794879	 0.142794
+H	-1.1252240541	-0.9607591231	-2.2208816989	 0.125192
+H	-1.3751271832	-1.9277816521	 0.6820453	 0.081871
+H	-2.78089138	-0.1197169137	 1.1617501208	 0.09399
+H	-3.7716581685	 0.6617320907	-1.0184885523	 0.292411
+H	 0.3980101805	 1.851386445	 0.3361586721	 0.113531
+H	 1.2048275575	-1.5769235957	 1.3773356353	 0.141326
+H	 1.5754134014	-1.5298969154	-0.3382905741	 0.145458
+H	 2.0473205676	-0.1669185129	 0.6977392522	 0.135563
+19
+0 2638	2.3823434	1.4516492	0.973414	3.4322	79.6	-0.2328	-0.04184	0.19096000000000002	1229.4211	0.155403	-422.604083	-422.594537	-422.593593	-422.638367	34.76
+C	-2.518217732	-2.1355180457	 1.3692258379	-0.410801
+C	-1.7985601599	-1.2633634287	 0.3434898116	-0.1303
+C	-0.2671437837	-1.1290415294	 0.4822229176	 0.009291
+O	 0.4973566847	-1.9388977832	-0.4016234291	-0.43466
+C	 0.0190787421	 0.3314919183	 0.1784200521	 0.328036
+C	 1.4229876291	 0.7991285349	-0.0016724844	-0.489273
+C	-1.1109657956	 1.0537343153	 0.1347495035	-0.302172
+C	-2.2937369295	 0.1960080202	 0.3394331338	 0.387241
+O	-3.443711399	 0.5444553857	 0.4857141501	-0.344979
+H	-2.2452035639	-3.1910428875	 1.267192635	 0.103372
+H	-2.2802691073	-1.8213599585	 2.3913549228	 0.119047
+H	-3.5994407148	-2.0434362048	 1.2387733109	 0.144582
+H	-1.9834547385	-1.6488094842	-0.6682168397	 0.113267
+H	 0.0331288933	-1.3315745964	 1.5253602908	 0.081436
+H	 0.4005053335	-2.8557157465	-0.1267115114	 0.289796
+H	 2.0171988411	 0.5937336224	 0.8976736559	 0.135403
+H	 1.8978829545	 0.2436821554	-0.8170650995	 0.159296
+H	 1.4726594672	 1.8686901641	-0.2167739891	 0.129796
+H	-1.1847583712	 2.1247212385	-0.0107199188	 0.11162
+19
+0 2639	2.299552	1.5237956	0.9604875	1.6316	75.31	-0.2405	-0.03954	0.20096	1216.6	0.154554	-422.616143	-422.606638	-422.605694	-422.65122	34.218
+C	-0.8926157755	 2.213227517	-1.2249068833	-0.406039
+C	-0.9276718836	 1.1721903063	-0.110201137	-0.103095
+C	-2.314411758	 0.6256168074	 0.2938868538	-0.103328
+C	-3.1714727418	 1.5111854277	 1.1931112589	-0.405971
+C	-2.016860781	-0.7528347501	 0.902930269	 0.38492
+O	-2.7063638437	-1.3201342424	 1.710259719	-0.308724
+C	-0.6979457756	-1.2686640822	 0.3311289164	-0.443849
+C	-0.100244145	-0.0833630135	-0.4243688049	 0.385144
+O	 0.8525948272	-0.1224243979	-1.1589276408	-0.30881
+H	-1.3996317642	 1.8396781603	-2.1210037135	 0.121726
+H	-1.3827429072	 3.1412480371	-0.9181029383	 0.11951
+H	 0.1409006671	 2.4380885456	-1.4985874888	 0.142197
+H	-0.4623014774	 1.5983668761	 0.7950076694	 0.108319
+H	-2.8699527547	 0.4108320005	-0.6350040476	 0.108129
+H	-4.0725673012	 0.9758946192	 1.5015160394	 0.1421
+H	-2.6237782415	 1.7891136387	 2.0999530586	 0.121804
+H	-3.4690343917	 2.4296688792	 0.679858231	 0.11945
+H	-0.031258985	-1.6171440741	 1.1271291192	 0.163206
+H	-0.856454807	-2.1217345146	-0.3374412107	 0.163309
+19
+0 2640	1.9691443	1.3083143	0.948231	3.1114	78.75	-0.24682	0.05244	0.29926	1308.4771	0.153293	-422.520145	-422.509772	-422.508828	-422.555274	37.556
+C	 1.6177866101	-1.0444001368	 1.3823037866	-0.430621
+C	 1.3867453681	-0.3397050558	 0.055942105	-0.040896
+C	 2.3971746905	-0.5332985203	-1.111654943	 0.098399
+O	 2.0745000401	-1.4164381472	-2.1563860429	-0.427643
+C	 2.2038536987	 0.9609835954	-1.4898274555	-0.194053
+C	 3.3330051846	 1.7387439055	-1.9493253361	 0.300695
+C	 4.2906075962	 2.3755388992	-2.3015019902	-0.448648
+C	 1.6358445184	 1.1918488597	-0.0624755282	 0.098398
+O	 0.5368882293	 2.0677391959	-0.0374199385	-0.427643
+H	 1.5177123684	-2.1312417315	 1.2820865228	 0.115343
+H	 2.6216761119	-0.8379931554	 1.7714541225	 0.115533
+H	 0.8950953421	-0.720585325	 2.1400263484	 0.115345
+H	 0.3842834682	-0.5432480838	-0.3368054307	 0.089435
+H	 3.4142506908	-0.7065474825	-0.733758252	 0.074452
+H	 2.3164731875	-2.3086853674	-1.8895495069	 0.285525
+H	 1.3661277398	 1.0192325263	-2.1934951375	 0.124985
+H	 5.1283187176	 2.9418760367	-2.6247763058	 0.191417
+H	 2.4316347856	 1.5200255565	 0.6203731632	 0.074452
+H	 0.3068571523	 2.2451029805	 0.8799051289	 0.285526
+19
+0 2641	1.9673459	1.3170016	0.9271749	1.9979	78.63	-0.24576	0.04363	0.28939000000000004	1311.3578	0.153821	-422.522287	-422.512182	-422.511237	-422.557008	37.22
+C	 1.0384666535	-0.539962578	-0.9787583669	-0.417444
+C	 1.2924541787	 0.2379510222	 0.2999912698	-0.024692
+C	 2.260675715	 1.453775736	 0.2829526836	 0.11691
+O	 1.7821461196	 2.7433981768	 0.015678472	-0.431703
+C	 2.7380643201	 1.063607701	 1.6942055345	 0.075566
+O	 4.1012575492	 1.2559880693	 1.9403005261	-0.427004
+C	 2.2015736217	-0.3859597307	 1.4129156737	-0.227277
+C	 1.5973486445	-1.131233584	 2.4927795883	 0.289761
+C	 1.0821259002	-1.7190150546	 3.4080646432	-0.439667
+H	 0.4286079027	-1.4296621184	-0.7902780514	 0.125059
+H	 0.5116002978	 0.081000789	-1.7111114688	 0.12637
+H	 1.9800243818	-0.8672068896	-1.43327018	 0.116758
+H	 0.3436924749	 0.5438828434	 0.7577205423	 0.074908
+H	 3.0776128035	 1.2790149629	-0.4256297894	 0.103669
+H	 1.0717392752	 2.9352487593	 0.6370373462	 0.278371
+H	 2.1050682234	 1.5423021303	 2.4571835328	 0.069681
+H	 4.2877460915	 1.0114024325	 2.8527163927	 0.29024
+H	 3.0099789011	-0.9594022538	 0.9450415174	 0.107159
+H	 0.6299918955	-2.2498945638	 4.208653714	 0.193334
+19
+0 2642	2.1887434	1.1811878	1.000487	1.7908	77.4	-0.24239	0.05636	0.29875	1284.1948	0.152999	-422.506783	-422.49637	-422.495426	-422.541815	38.171
+C	 2.6798051862	 2.5172485338	-0.6662164655	-0.458928
+C	 3.0533148956	 1.0688892327	-0.9044831108	 0.253674
+C	 2.5792776719	 0.0834483483	 0.1635185261	-0.437911
+C	 1.1264943165	-0.0415968762	 0.2265391435	 0.317865
+C	-0.071478089	-0.1324322965	 0.2652853004	-0.448205
+C	 4.3936862966	 0.7740147402	-1.5728574622	-0.029307
+O	 5.1332083016	-0.3693764494	-1.2486721216	-0.418127
+C	 3.1117762995	 0.5546578036	-2.3247309015	 0.049809
+O	 2.7352132381	 1.4269672198	-3.3479444676	-0.421682
+H	 3.1410542733	 2.8915428752	 0.2553697922	 0.105545
+H	 2.9983511464	 3.1483995584	-1.4976842783	 0.129719
+H	 1.5945921687	 2.6209177484	-0.5665475113	 0.136357
+H	 3.0288717925	-0.8977932556	-0.0234680118	 0.140288
+H	 2.9549424535	 0.4090234864	 1.1441814674	 0.120861
+H	-1.1288024354	-0.22033446	 0.3024866336	 0.194137
+H	 4.9809521587	 1.6456647756	-1.8650114093	 0.088786
+H	 5.5994638021	-0.2014553401	-0.4224022124	 0.290212
+H	 2.8245159602	-0.4878418353	-2.4674393741	 0.097802
+H	 3.2918408829	 1.2451061305	-4.1126375266	 0.289105
+19
+0 2643	2.7008022	1.1733244	0.957701	1.4326	77.62	-0.23513	0.04121	0.27634000000000003	1283.1559	0.153141	-422.512131	-422.50179	-422.500846	-422.547303	37.988
+C	 5.3402743221	 0.4033136064	-2.8679486327	-0.412912
+C	 4.5537981986	-0.3133008426	-1.7931196399	-0.089402
+C	 3.2832661496	-1.062618505	-2.1166757718	 0.016247
+O	 3.112058116	-2.3068281814	-1.4995906764	-0.422102
+C	 3.2269806579	 0.2127162281	-1.3011855803	 0.344118
+O	 2.7645555553	 1.3721594915	-1.9320732755	-0.463833
+C	 2.8720168435	 0.1165980698	 0.1783322968	-0.404498
+C	 1.4210185838	 0.0852179786	 0.3564399532	 0.266359
+C	 0.219824697	 0.0647018098	 0.4257272129	-0.447636
+H	 5.9934164746	 1.1671098891	-2.4331427213	 0.119656
+H	 5.9682863189	-0.3017478666	-3.4226219788	 0.117763
+H	 4.6731373203	 0.9039943797	-3.5724981783	 0.133765
+H	 5.1516593589	-0.7972728479	-1.0243313443	 0.096069
+H	 2.9200703943	-0.9854392535	-3.1424810933	 0.086205
+H	 2.1735259454	-2.4147401288	-1.3073097634	 0.292023
+H	 1.8016777094	 1.3722042558	-1.8594977561	 0.285369
+H	 3.3161242372	-0.7893085476	 0.6019397971	 0.144802
+H	 3.296185724	 0.9757851318	 0.7115453817	 0.137256
+H	-0.8372194767	 0.0444042328	 0.5274497906	 0.200751
+19
+0 2644	1.7488317	1.5133237	1.1188107	3.5326	78.69	-0.24528	-0.0323	0.21298	1216.0368	0.153737	-422.571249	-422.561271	-422.560326	-422.605863	35.504
+C	 3.1626310268	-2.0031916973	 1.6333206596	-0.426373
+C	 2.018592173	-1.4618014328	 0.8045591199	-0.038024
+C	 1.3754527845	-2.2177756697	-0.2852753371	-0.055788
+C	-0.118696164	-2.2661558595	-0.5055605065	-0.429541
+C	 2.2135908353	-0.9457511004	-0.6454185461	 0.082909
+C	 3.4854131723	-1.2009753706	-1.3656031153	 0.101101
+O	 3.9857144807	-0.4439575185	-2.1634419632	-0.269985
+C	 1.5125281558	 0.3218755311	-0.9958252208	 0.089694
+O	 0.5452418267	 0.7543375144	-0.4091035467	-0.281613
+H	 2.7646143198	-2.5094306883	 2.5192131752	 0.133366
+H	 3.7681314469	-2.7307639568	 1.0867632589	 0.124539
+H	 3.8224955536	-1.200457598	 1.9767207159	 0.13559
+H	 1.3515519354	-0.7822689553	 1.3316552452	 0.127577
+H	 1.9017326038	-3.1248551424	-0.5827430679	 0.099617
+H	-0.5513104128	-3.0630579072	 0.1090710253	 0.125495
+H	-0.5913302244	-1.3221702202	-0.2318044708	 0.162976
+H	-0.3571817807	-2.4841424797	-1.5513327142	 0.125881
+H	 3.9650340639	-2.1786386904	-1.1355709565	 0.074027
+H	 1.9581759435	 0.8597278316	-1.8527965649	 0.118553
+19
+0 2645	2.8352227	1.4330864	1.1750692	1.3442	76.	-0.23448	0.06791	0.30239	1107.3263	0.155551	-422.460162	-422.451568	-422.450624	-422.493199	32.591
+C	 0.6718163323	 0.9299947106	 0.4826576565	-0.404183
+C	 0.9314440323	-0.5550607884	 0.3362142628	-0.165684
+C	 2.2282176713	-1.1698399655	 0.8571855249	-0.026604
+O	 3.1511396907	-0.3009354441	 1.4520677573	-0.421607
+C	 1.9769911047	-1.0716643699	-0.6032069574	 0.424042
+C	 2.8347579189	-0.4503096988	-1.7137507494	-0.04724
+C	 1.8025143627	-0.9401569785	-2.760818715	-0.218165
+C	 2.0836319025	-2.0829881185	-1.7533333755	-0.059679
+O	 3.5335241105	-1.7578892	-1.8445136543	-0.319158
+H	 0.1876860346	 1.1460095562	 1.4406468941	 0.122107
+H	 1.6076095923	 1.4917624271	 0.4522697299	 0.131486
+H	 0.0175295867	 1.2988734633	-0.3144778712	 0.112464
+H	 0.0545293176	-1.1863967784	 0.4657777758	 0.087368
+H	 2.1539011695	-2.1495569929	 1.331177794	 0.084954
+H	 4.0258441175	-0.5539877868	 1.137655661	 0.29548
+H	 3.4470900641	 0.450993592	-1.7059257371	 0.099229
+H	 0.8097187083	-0.4841547125	-2.7561826628	 0.101864
+H	 2.2052414436	-1.0996961968	-3.7619628245	 0.106492
+H	 1.7986471098	-3.1345869481	-1.7900541792	 0.096836
+19
+0 2646	2.4765996	1.5336677	1.127368	2.5214	76.23	-0.23433	0.06133	0.29566000000000003	1118.7913	0.15635	-422.47605	-422.467597	-422.466653	-422.508849	32.556
+O	-2.2119287202	 1.6790607685	-0.4244470296	-0.426184
+C	-1.2766209392	 0.9795273986	 0.3500386412	-0.068974
+C	-1.4082616708	-0.5257850532	 0.350095754	-0.068982
+O	-0.2130140557	-1.2480852668	 0.2333364968	-0.426175
+C	-1.7039712247	 0.2585340637	 1.5896789229	 0.404917
+C	-1.1396245834	 0.2073713185	 3.0226590464	-0.130157
+C	-2.3142573266	-0.7666566902	 3.3529118871	-0.214176
+C	-2.9488489096	 0.3693293935	 2.4910905318	-0.130211
+C	-2.1221239252	 1.373838869	 3.3542533863	-0.214184
+H	-2.4451135813	 2.4837366362	 0.0497563377	 0.287052
+H	-0.2515292049	 1.3515207793	 0.3083820766	 0.093869
+H	-2.2554502906	-0.913312134	-0.218252801	 0.093867
+H	-0.2824613374	-2.0266426411	 0.7952741209	 0.287051
+H	-0.0946305232	 0.1154185564	 3.3185287532	 0.080223
+H	-2.2759038591	-1.7608599102	 2.900251899	 0.0851
+H	-2.6266995028	-0.8132439828	 4.400059212	 0.090822
+H	-3.9878782252	 0.4607538244	 2.1747516248	 0.080216
+H	-1.8977294572	 2.3450234228	 2.9056320918	 0.085103
+H	-2.4203454429	 1.4739282174	 4.4018001681	 0.090823
+19
+0 2647	2.6942193	1.2167455	0.9536046	4.1468	77.08	-0.26493	0.01187	0.2768	1280.7394	0.155254	-422.571213	-422.562029	-422.561084	-422.605054	33.699
+C	-3.9359725825	-1.2119071881	 1.491059892	-0.415919
+C	-3.3658550722	 0.0170605135	 0.8180548329	-0.099236
+C	-3.3385206072	 0.157156714	-0.7053666943	-0.101781
+C	-3.6429086782	 1.4833398332	-1.3675810476	-0.411555
+C	-2.078350152	-0.0367705904	 0.0691407893	 0.434183
+C	-0.9800123987	-1.0856299742	-0.0077129784	-0.504502
+C	-0.0580240297	 0.1323199909	 0.1132961689	 0.437452
+O	 1.1062522466	 0.3637314991	 0.1474912699	-0.314393
+O	-1.0961008997	 1.0320746765	 0.1863048801	-0.25988
+H	-3.5278550485	-1.3412703536	 2.4993523537	 0.12544
+H	-5.0254243273	-1.1423802741	 1.5777377958	 0.126694
+H	-3.7075086909	-2.1184011893	 0.9206691914	 0.117391
+H	-3.5287291309	 0.9534960278	 1.3476300839	 0.103641
+H	-3.6742805142	-0.7211232922	-1.2548812333	 0.089718
+H	-3.2152554098	 2.3121727796	-0.797342653	 0.136499
+H	-3.220349726	 1.5260539017	-2.3768843271	 0.12443
+H	-4.7231985331	 1.6422973578	-1.4474880034	 0.120683
+H	-0.9085903007	-1.7807506401	 0.8314094717	 0.146081
+H	-0.8839900749	-1.6302277521	-0.9490032025	 0.145055
+19
+0 2648	2.6995957	1.1534542	0.9157846	4.1039	77.08	-0.23944	-0.01755	0.22188999999999998	1301.4789	0.15411	-422.546207	-422.536815	-422.535871	-422.580583	34.728
+C	-3.8386290074	-1.39441774	 1.496043143	-0.41285
+C	-3.3724253905	-0.1034089015	 0.8611310574	-0.131038
+C	-3.363254973	 0.0678058746	-0.6429843797	 0.021472
+O	-3.6505076628	 1.3104157694	-1.2142360569	-0.420267
+C	-2.0699352869	-0.0262341713	 0.0997296158	 0.319382
+C	-0.9884890929	-1.110982966	-0.0593284557	-0.43381
+C	 0.0531690492	 0.0289213258	-0.0242254888	 0.405878
+O	 1.244898284	 0.0584708667	-0.1134269925	-0.287365
+C	-1.030952309	 1.1059066023	 0.1699071484	-0.416383
+H	-3.3711021751	-1.5516488667	 2.4744827268	 0.121954
+H	-4.9243668026	-1.3958015115	 1.6427027773	 0.119053
+H	-3.5876529651	-2.2573591502	 0.8705971353	 0.11964
+H	-3.6201030444	 0.8036238866	 1.4095452761	 0.088646
+H	-3.6592211348	-0.7957521763	-1.2429759514	 0.082302
+H	-4.5957831085	 1.4719465519	-1.1270201489	 0.28905
+H	-0.8863852024	-1.8114705537	 0.776932692	 0.129903
+H	-0.9999969514	-1.6844271538	-0.992032497	 0.129869
+H	-0.9558769621	 1.6373851607	 1.1246484525	 0.126963
+H	-1.0873236045	 1.8446378632	-0.6352564235	 0.147602
+19
+0 2649	2.464101	1.4108127	1.117569	2.2442	75.88	-0.2417	0.07614	0.31784	1157.14	0.155218	-422.495333	-422.486533	-422.485589	-422.528542	33.22
+C	 0.6501092272	 0.9758680025	-0.0112253747	-0.411857
+C	 0.8523403311	-0.5168334733	-0.1478136302	-0.129564
+C	 1.9960675573	-1.2170220098	 0.5557169201	 0.00396
+O	 1.8252651777	-2.5158794787	 1.0502110087	-0.424886
+C	 2.0144937979	-1.07674968	-0.9316987178	 0.333197
+C	 3.0928653384	-0.3684962054	-1.7936099123	-0.353801
+C	 3.0209233054	-1.5828244252	-2.7409571926	 0.036583
+O	 1.6707903266	-1.6935759724	-3.2008261559	-0.251821
+C	 1.9968963753	-2.2355589229	-1.9089620027	-0.055349
+H	 0.0575602998	 1.2187990321	 0.8779871968	 0.114866
+H	 1.6077068038	 1.4995538156	 0.0750198307	 0.116839
+H	 0.1295655347	 1.3857748941	-0.8832924162	 0.12736
+H	-0.0589202207	-1.1075553896	-0.2168806671	 0.089614
+H	 2.6872350963	-0.5935586387	 1.127231291	 0.081033
+H	 1.2486142662	-2.467575922	 1.8199909058	 0.287574
+H	 2.8203804561	 0.5865949374	-2.2501308603	 0.110866
+H	 4.0533527344	-0.2746901327	-1.2792785184	 0.109153
+H	 3.7993600043	-2.0028375014	-3.3668368622	 0.103818
+H	 1.7746470282	-3.2784975997	-1.7247874028	 0.112417
+19
+0 2650	3.0003828	1.3630095	1.2023657	2.6189	75.73	-0.23239	0.05934	0.29173	1111.6602	0.155627	-422.487995	-422.47937	-422.478426	-422.521028	32.855
+C	 0.7326592775	 0.8724420072	 0.2620119034	-0.399357
+C	 0.9895436803	-0.6176663027	 0.2343531237	-0.142463
+C	 2.3033561593	-1.1965590755	 0.7737270326	 0.020989
+O	 3.3158851722	-0.3388636378	 1.196772811	-0.429788
+C	 2.0080161591	-1.2130587226	-0.6920558803	 0.402193
+O	 2.8619409698	-0.3735191368	-1.5078888735	-0.327804
+C	 2.9759973012	-1.4452066332	-2.4611785358	 0.100021
+C	 1.6450700226	-1.7675616013	-3.0601665665	-0.298523
+C	 2.0196408451	-2.3320225639	-1.6998137803	-0.22872
+H	 0.2680337877	 1.1647905654	 1.2091182032	 0.118955
+H	 1.6653720622	 1.4302843559	 0.1625906375	 0.131841
+H	 0.0661160468	 1.1754632436	-0.5517220828	 0.114712
+H	 0.1186714328	-1.2470257207	 0.4080561817	 0.087532
+H	 2.2600172963	-2.1251902843	 1.3392883412	 0.094345
+H	 3.8041550435	-0.0858500302	 0.4001196022	 0.295453
+H	 3.9463016256	-1.6156014319	-2.9104714084	 0.111326
+H	 0.8938030981	-0.9883524693	-3.1472093501	 0.123168
+H	 1.6629123736	-2.4899458011	-3.8706615308	 0.118182
+H	 2.0594496163	-3.3889376707	-1.475516128	 0.107938
+19
+0 2651	2.4947675	1.4012584	1.1196443	0.9349	75.85	-0.22825	0.06848	0.29673	1149.0292	0.155911	-422.499779	-422.491067	-422.490123	-422.532799	33.43
+O	-2.2180983153	 1.8298698953	-0.1885065687	-0.421852
+C	-1.3590408943	 1.010001197	 0.5484859196	-0.021155
+C	-1.5889917965	-0.4788091047	 0.5852697237	-0.045241
+O	-0.4405726257	-1.2779792574	 0.6090289217	-0.421752
+C	-1.9308485337	 0.382217104	 1.7809872484	 0.32208
+C	-1.2890162154	 0.3833823706	 3.182342368	-0.321375
+C	-2.682631304	 0.6719336047	 3.7677575774	-0.036431
+C	-3.6636796117	-0.3917293981	 3.361059963	-0.281925
+C	-3.2985663199	 0.6735065561	 2.3626557967	-0.11853
+H	-2.0301478057	 1.6926724852	-1.123289503	 0.288611
+H	-0.3159761471	 1.3279888592	 0.5950811753	 0.092505
+H	-2.424121268	-0.8559723779	-0.0082475778	 0.0838
+H	-0.5926326116	-2.0002601943	 1.2274686056	 0.288148
+H	-0.8094505692	-0.5454731586	 3.512576583	 0.086493
+H	-0.5828108142	 1.2067569939	 3.3160088914	 0.111528
+H	-2.881046716	 1.3459753062	 4.5915672338	 0.087697
+H	-3.3370253284	-1.4195101454	 3.2142255924	 0.095487
+H	-4.6539390683	-0.2998622392	 3.7963908792	 0.110762
+H	-4.0222011449	 1.3503429935	 1.9284548602	 0.101152
+19
+0 2652	2.4909328	1.38123	1.0610736	1.9412	76.48	-0.23173	0.0265	0.25823	1174.099	0.156421	-422.54739	-422.538593	-422.537648	-422.581121	33.362
+O	-2.0982101155	 1.6669369688	-0.4015408001	-0.418767
+C	-1.2860231426	 0.9755219023	 0.5004759992	 0.015608
+C	-1.5107010687	-0.490501023	 0.6098400362	 0.015684
+O	-0.3703742241	-1.295731559	 0.6602103014	-0.418744
+C	-1.871786517	 0.4068030996	 1.7837219046	 0.249312
+C	-3.3420771943	 0.6528879664	 2.1510220038	-0.331659
+C	-3.3029465295	 0.7583761159	 3.6559225234	-0.063475
+C	-2.0743939578	 0.6149637213	 4.1485855226	-0.063449
+C	-1.0405288022	 0.3817346265	 3.074289271	-0.331782
+H	-2.2270208264	 2.5591583839	-0.061835292	 0.288471
+H	-0.2453935434	 1.3000412799	 0.5496855272	 0.091668
+H	-2.3475905611	-0.8856996353	 0.031850977	 0.09169
+H	-0.5777703896	-2.0716586658	 1.192169228	 0.288486
+H	-3.7380151699	 1.5642433889	 1.6823260041	 0.09687
+H	-4.000650462	-0.1594914922	 1.813719413	 0.105431
+H	-4.1968314824	 0.9324153795	 4.2450397074	 0.091146
+H	-1.813369664	 0.6568559281	 5.2004842668	 0.09115
+H	-0.2577051307	 1.1528399301	 3.0843827783	 0.105407
+H	-0.512900059	-0.572656906	 3.2072653581	 0.096951
+19
+0 2653	2.160796	1.4883116	1.1076898	4.3421	76.63	-0.26559	0.01051	0.2761	1181.8072	0.156047	-422.573289	-422.564137	-422.563193	-422.607059	33.263
+C	-2.4897054102	 2.7754350208	 1.5389471307	-0.415866
+C	-1.1743255439	 2.436452083	 0.8742533353	-0.07541
+C	-1.0130842666	 2.4793858393	-0.6187900406	-0.077652
+C	 0.2576450932	 2.982918962	-1.2686730324	-0.42333
+C	-1.0267632081	 1.1471683056	 0.0970155456	 0.094587
+C	-1.9358720034	-0.0678396164	-0.0263812348	-0.157819
+O	-0.7576330427	-0.9332343894	 0.0990599311	-0.255924
+C	 0.0875178602	 0.1528310879	 0.2111102934	 0.440004
+O	 1.2701991032	 0.1465751554	 0.3513027845	-0.34909
+H	-2.5890767723	 2.274934439	 2.5079193062	 0.128078
+H	-2.5701456337	 3.8539338645	 1.7106825651	 0.129489
+H	-3.3403034196	 2.4750400303	 0.9180956631	 0.117442
+H	-0.287010437	 2.7032069577	 1.4447126436	 0.109194
+H	-1.9292455527	 2.6874865286	-1.1692308092	 0.091861
+H	 1.1377376679	 2.6676505466	-0.7022920411	 0.150862
+H	 0.3616759999	 2.5924484342	-2.2862520839	 0.124428
+H	 0.2548821803	 4.0765651287	-1.3262660646	 0.119604
+H	-2.6352180828	-0.2477049966	 0.7938955271	 0.125102
+H	-2.4250098717	-0.2211462412	-0.9913826792	 0.124438
+19
+0 2654	2.0967019	1.5389927	1.1224295	1.4341	78.45	-0.24166	-0.0278	0.21386000000000002	1178.0523	0.154409	-422.538914	-422.529482	-422.528538	-422.573044	34.103
+C	-2.5200915728	 2.7842027028	 1.2291686882	-0.40885
+C	-1.1935804551	 2.4542826051	 0.5826616279	-0.098828
+C	-1.058208932	 2.3517914781	-0.9185060074	-0.093778
+C	 0.1816556054	 2.8302167014	-1.6422464155	-0.423511
+C	-1.0156789223	 1.10381293	-0.0738314841	 0.30911
+O	-2.0298356258	 0.089394136	-0.0880735038	-0.318336
+C	-1.0616704784	-0.9691229773	 0.1127686752	-0.1904
+C	 0.0602402164	 0.0855280026	 0.1200303825	 0.279337
+O	 1.251376959	 0.0907916646	 0.2326406667	-0.303206
+H	-2.5471390194	 2.4399391604	 2.2679401516	 0.124778
+H	-2.6958597551	 3.8650335768	 1.2267011853	 0.12229
+H	-3.3446718221	 2.2996640394	 0.6998133556	 0.136112
+H	-0.3098091997	 2.8087778937	 1.1100363711	 0.103573
+H	-1.9956092962	 2.4544577846	-1.4621474458	 0.103552
+H	 1.0843693367	 2.5907488644	-1.073154243	 0.143809
+H	 0.2735575418	 2.3564115274	-2.6249335864	 0.124105
+H	 0.1491065611	 3.9148727481	-1.7921578013	 0.12076
+H	-1.2092851409	-1.5044282202	 1.057640343	 0.134666
+H	-1.0354269606	-1.6802368779	-0.7205727897	 0.134816
+19
+0 2655	2.1513922	1.563547	1.1170328	3.333	78.04	-0.23474	-0.02562	0.20912	1160.2881	0.155142	-422.552084	-422.5429	-422.541956	-422.585913	34.029
+C	-2.3523702385	 2.992114476	 1.3366036211	-0.41277
+C	-1.1070537663	 2.5055742082	 0.6309818766	-0.127012
+C	-1.0408901602	 2.4326928797	-0.854565795	 0.083925
+O	 0.110599196	 2.7160117636	-1.5707238211	-0.430773
+C	-1.1215156601	 1.1322244652	-0.0483693069	 0.157443
+C	-2.1185057403	-0.0397937749	-0.0252252983	-0.34028
+C	-0.9028737088	-1.032083053	-0.0343904958	-0.337889
+C	 0.025057059	 0.193416948	-0.0845624175	 0.368573
+O	 1.2155269168	 0.3674679212	-0.2024246836	-0.355833
+H	-2.4585615679	 2.5338527254	 2.3256145809	 0.124344
+H	-2.3184486096	 4.0782694748	 1.470926808	 0.131436
+H	-3.2537133091	 2.7550531561	 0.762223048	 0.12112
+H	-0.1636499998	 2.7295214205	 1.1260705993	 0.104806
+H	-1.9310924791	 2.7136056298	-1.4120445467	 0.111512
+H	 0.8377510755	 2.1935526066	-1.1967039687	 0.304354
+H	-2.7385688877	-0.0979120162	 0.8722905883	 0.112269
+H	-2.7621643568	-0.1159227323	-0.9043395226	 0.114877
+H	-0.7866957262	-1.632906125	 0.8719888519	 0.134658
+H	-0.8231521869	-1.6925647538	-0.901964008	 0.13524
+19
+0 2656	2.4907763	1.4646525	1.0977743	2.6118	79.41	-0.21302	0.00889	0.22191	1162.7572	0.155803	-422.538868	-422.53002	-422.529076	-422.572169	33.268
+C	 0.7578787761	 1.0897200093	 0.0057399503	-0.417216
+C	 0.9232367578	-0.4112858181	 0.0859201284	-0.120969
+C	 1.9772791633	-1.0450608578	 0.9751631516	 0.05035
+O	 1.7186403319	-2.2334066055	 1.6506636438	-0.437769
+C	 2.1124190277	-1.1195161949	-0.5338156737	 0.366834
+O	 1.8638008809	-2.4189211284	-1.0590952279	-0.325783
+C	 2.7923750575	-2.6879755452	-2.1176863698	-0.13284
+C	 3.5954779964	-1.4241581573	-2.2579591142	-0.112025
+C	 3.1938244022	-0.5373899826	-1.35032711	-0.165717
+H	 0.0722029609	 1.445934457	 0.7820470508	 0.125231
+H	 1.7114429552	 1.6080183139	 0.1528692505	 0.112505
+H	 0.3597964179	 1.4012612665	-0.9661270187	 0.12196
+H	 0.0087896017	-0.9956584849	 0.0142269439	 0.100054
+H	 2.6405611739	-0.3817364645	 1.5268200022	 0.092662
+H	 1.7320829047	-2.9285827274	 0.9770470243	 0.292959
+H	 3.4144979512	-3.5579007153	-1.8566813681	 0.111526
+H	 2.2337814717	-2.9465554044	-3.0294265115	 0.11407
+H	 4.380841066	-1.2991275008	-2.9914900561	 0.109725
+H	 3.5839277829	 0.4592165606	-1.1962140457	 0.114443
+19
+0 2657	2.5020256	1.3637972	1.0497302	2.0224	78.45	-0.21057	0.02186	0.23243	1188.7286	0.156566	-422.548054	-422.539157	-422.538213	-422.581874	33.507
+O	-2.1609685674	 1.6470359354	-0.383866751	-0.421923
+C	-1.2875912803	 0.9603520333	 0.4643064324	 0.008602
+C	-1.5212437551	-0.4994598075	 0.6126264584	 0.009531
+O	-0.3922221769	-1.3198624072	 0.5974761323	-0.415532
+C	-1.7742041615	 0.4328122596	 1.8060481517	 0.242364
+C	-0.8706736487	 0.4187517135	 3.0471077567	-0.303188
+C	-1.8449354488	 0.4725202772	 4.2620572966	-0.264016
+C	-3.1992743826	 0.7043463017	 3.6341942555	-0.086305
+C	-3.1512514327	 0.6771536594	 2.3013079033	-0.142878
+H	-2.3208144838	 2.5163679053	-0.0007747845	 0.28866
+H	-0.2414682398	 1.2700946257	 0.426104016	 0.092809
+H	-2.4048347449	-0.8924442474	 0.1095511088	 0.095028
+H	-0.5809335204	-2.0948895795	 1.1375367854	 0.289796
+H	-0.2274140589	-0.4651167132	 3.0659377728	 0.099486
+H	-0.2036324548	 1.2869281151	 3.0476660424	 0.10444
+H	-1.8330890345	-0.4619803988	 4.8390685672	 0.104838
+H	-1.5751467205	 1.2644021113	 4.9710658405	 0.105344
+H	-4.0981748774	 0.8512684157	 4.2225357984	 0.091451
+H	-3.9937098908	 0.8032456903	 1.6317486472	 0.101494
+19
+0 2658	2.2555375	1.1284204	0.9291962	1.9461	79.61	-0.24493	-0.08894	0.15599000000000002	1357.5687	0.154144	-422.569722	-422.559794	-422.558849	-422.604886	35.081
+C	-0.6039571723	 2.6127792139	 2.8733688779	-0.427567
+C	-1.3951529587	 2.7619816009	 1.594498558	-0.008897
+C	-0.8743934072	 3.4898762918	 0.4082237615	-0.012709
+C	-1.7509480153	 4.3914484691	-0.4292839206	-0.41539
+C	-1.0462796516	 1.9722771771	 0.3114202969	-0.163585
+C	 0.1523767231	 1.1258980349	 0.2489729586	 0.282958
+O	 1.2519449591	 1.3952120999	 0.6970019873	-0.318833
+C	 0.0054796781	-0.2276296565	-0.4646018553	 0.096494
+O	-1.0077202399	-0.6158027289	-0.9836123399	-0.223205
+H	-0.9405284188	 1.7428883508	 3.4472082023	 0.119352
+H	 0.4625278817	 2.4967090613	 2.6724606525	 0.154973
+H	-0.7418112036	 3.4994936359	 3.5019298026	 0.120232
+H	-2.4719895288	 2.8269084059	 1.7376791833	 0.096205
+H	 0.1712502953	 3.781805518	 0.4781052218	 0.110476
+H	-1.7824880801	 5.4022411892	-0.0077972532	 0.125601
+H	-1.3794084502	 4.4677415139	-1.4563327999	 0.126505
+H	-2.7786927336	 4.016312873	-0.4711887403	 0.120291
+H	-1.8874406366	 1.5926749532	-0.2565899318	 0.112176
+H	 0.9508508193	-0.8107219335	-0.4542563917	 0.104924
+19
+0 2659	3.7882625	0.8048542	0.7228228	1.436	79.28	-0.22971	0.02363	0.25334	1593.897	0.153191	-422.484615	-422.474392	-422.473448	-422.520271	36.62
+C	-2.3824384615	 4.4234910963	 1.8583537522	-0.415262
+C	-1.5005126741	 3.5374388581	 1.0073237545	-0.105046
+C	-0.1722168664	 3.01899151	 1.5182042414	 0.104073
+O	 0.920409237	 2.881875643	 0.6606610215	-0.437333
+C	-1.3410743807	 2.0757253972	 1.3416395017	 0.067945
+O	-1.2503965421	 1.2101033956	 0.2420389727	-0.268037
+C	-0.6329111616	-0.0299417758	 0.5957647799	-0.227088
+C	-0.4664134446	-0.8495507386	-0.5952246727	 0.280097
+C	-0.3132305727	-1.5412937678	-1.5646489462	-0.414094
+H	-2.2967429932	 4.1662816151	 2.9196122343	 0.114778
+H	-2.1010506094	 5.4763765974	 1.7518389893	 0.125327
+H	-3.4370231633	 4.3236847928	 1.5789069986	 0.123436
+H	-1.5154648439	 3.7410712932	-0.0610787075	 0.100032
+H	 0.1472915844	 3.2996960254	 2.517089483	 0.102333
+H	 0.6076211121	 2.3810062494	-0.1043409138	 0.291711
+H	-1.8651886658	 1.6628712291	 2.2048066236	 0.084593
+H	 0.3425957111	 0.1547720706	 1.0686150875	 0.140667
+H	-1.2576370986	-0.5593129692	 1.3325991933	 0.127841
+H	-0.1812921867	-2.1502946319	-2.4246816031	 0.204027
+19
+0 2660	3.7326851	0.7282631	0.6520529	2.8401	78.52	-0.24243	0.05763	0.30006	1693.3109	0.153718	-422.502723	-422.492405	-422.491461	-422.538423	37.217
+O	-1.8462327918	 3.8905937029	 2.1626503499	-0.410105
+C	-1.129467962	 3.5833907777	 1.0014634216	 0.029456
+C	 0.102767196	 2.7091776456	 1.0787327401	 0.00524
+O	 1.139790612	 2.87684136	 0.1569433703	-0.418373
+C	-1.183143969	 2.1445195273	 0.5404307871	-0.046596
+C	-1.9680313209	 1.1103946457	 1.3178592765	-0.206219
+C	-3.4766141777	 1.1651595512	 0.9889544598	-0.349508
+C	-4.2444064409	 0.1381621638	 1.6818194235	 0.291225
+C	-4.8523643159	-0.7191796025	 2.2655878605	-0.438162
+H	-1.3497722025	 4.5454188242	 2.6644092948	 0.288445
+H	-1.1333440171	 4.3500314908	 0.2260116055	 0.089136
+H	 0.3975057187	 2.3792883587	 2.0765784182	 0.089704
+H	 1.6575580286	 3.6447259591	 0.421995396	 0.285132
+H	-1.1913327623	 2.0238999873	-0.5399973358	 0.100058
+H	-1.5831352487	 0.1090778934	 1.095146113	 0.110633
+H	-1.8406836971	 1.2724942588	 2.3911831772	 0.118284
+H	-3.8580744254	 2.157783492	 1.2557878139	 0.14821
+H	-3.619999927	 1.058751746	-0.0945487422	 0.123689
+H	-5.4011065771	-1.4712852821	 2.7754339403	 0.189751
+19
+0 2661	2.0873591	1.595226	1.1002434	3.2374	76.87	-0.23922	-0.04024	0.19898	1173.869	0.154296	-422.541872	-422.53236	-422.531415	-422.576814	34.1
+C	-1.1277464067	 2.0386138931	 1.3452649629	-0.407398
+C	-1.0471489063	 1.1351255206	 0.1176513556	-0.122155
+C	-2.1311886231	 0.0121720127	-0.0672020329	-0.130966
+C	-2.9132539604	 0.0312471033	-1.3757043327	-0.397103
+C	-1.0141206774	-1.0502748788	 0.0152749221	 0.335979
+C	-1.0043253111	-2.4031789925	 0.5939239586	-0.250875
+O	-0.9045669803	-2.196306722	-0.8121461082	-0.255136
+C	 0.0416142974	 0.0380426088	 0.1541562267	 0.333012
+O	 1.2324599069	 0.0430652217	 0.2740571689	-0.303758
+H	-1.2507506312	 1.4523179835	 2.2621312464	 0.11992
+H	-0.2129823965	 2.6300054991	 1.4466554009	 0.138108
+H	-1.974440417	 2.7281481536	 1.270877703	 0.123311
+H	-0.936495059	 1.7395830734	-0.7913666979	 0.106353
+H	-2.814122188	-0.041501204	 0.7869409173	 0.080964
+H	-3.5100567802	-0.8786578824	-1.4892893325	 0.127444
+H	-3.5898725441	 0.8908266038	-1.4124998845	 0.118022
+H	-2.2398649014	 0.0906497709	-2.2369709935	 0.125161
+H	-0.1002959141	-2.7682804655	 1.0785393131	 0.135708
+H	-1.9438675573	-2.8307410193	 0.9423061467	 0.123408
+19
+0 2662	2.3489207	1.5305279	1.1188152	2.3474	76.8	-0.24152	-0.0294	0.21212	1141.2795	0.154865	-422.550592	-422.541026	-422.540082	-422.585109	34.513
+C	-2.9927804298	-0.1171917519	-1.4511464142	-0.380832
+C	-2.2948503039	-0.0573323934	-0.0976953441	-0.168697
+C	-1.2071395526	-1.1826806552	 0.1133607528	 0.051876
+O	-1.2090813313	-2.3065292609	-0.7231447694	-0.434985
+C	-0.1422987716	-0.1047746051	-0.14012688	 0.288967
+O	 1.0039377442	-0.1683395927	-0.498731415	-0.330915
+C	-1.1575897539	 0.9864988409	 0.0050423284	 0.249044
+C	-1.0248773734	 2.1740106267	 0.9385249783	-0.316931
+C	-1.0472906159	 2.3882615926	-0.541646471	-0.315566
+H	-3.6231565546	-1.0077583845	-1.5214457305	 0.130264
+H	-3.6238304085	 0.7641516216	-1.6045858595	 0.110572
+H	-2.2689384153	-0.160429349	-2.2707765692	 0.117877
+H	-3.02589084	-0.0126815154	 0.7139259593	 0.07608
+H	-1.1898330688	-1.48864449	 1.1702378144	 0.102347
+H	-0.3674822629	-2.3119806346	-1.1945102048	 0.29853
+H	-1.9065148503	 2.4407428255	 1.512283552	 0.125547
+H	-0.0840054945	 2.2892554765	 1.4661607766	 0.133127
+H	-1.9392908106	 2.8149775667	-0.9877413134	 0.126209
+H	-0.1180004863	 2.6385899324	-1.0425501605	 0.137488
+19
+0 2663	2.174827	1.6568047	1.0997901	1.4986	77.14	-0.2351	-0.02452	0.21058	1144.2219	0.155176	-422.553234	-422.543797	-422.542853	-422.587873	34.347
+C	-1.0202043234	 2.0266940279	 1.2859584833	-0.401171
+C	-1.128447613	 1.1456891995	 0.044362197	-0.163376
+C	-2.2278971688	 0.0107157732	 0.0390544313	 0.01408
+O	-3.0729428131	-0.0931949067	 1.1605871787	-0.420005
+C	-1.1092112919	-1.0386265807	-0.0973784729	 0.188499
+C	-1.0750349775	-2.3439873424	-0.858824394	-0.316762
+C	-1.0071681309	-2.3678206725	 0.6308780602	-0.312479
+C	-0.0631359404	 0.0357993579	-0.1032565294	 0.343468
+O	 1.1353663216	 0.0314617572	-0.1815790162	-0.322476
+H	-0.9209833631	 1.4341091202	 2.2019180373	 0.105618
+H	-0.1360092124	 2.6661726245	 1.2171923671	 0.138028
+H	-1.9043278091	 2.6613171455	 1.3924593279	 0.132846
+H	-1.1769187562	 1.7694925052	-0.8553344715	 0.10182
+H	-2.8968222417	 0.0678795175	-0.8229394779	 0.095285
+H	-2.5251899362	-0.2423915164	 1.9387834261	 0.281771
+H	-1.997711797	-2.6530355294	-1.3387766073	 0.128821
+H	-0.1689625827	-2.5495474623	-1.4193928864	 0.136984
+H	-1.8906350215	-2.6749199898	 1.1813010826	 0.131543
+H	-0.0576962227	-2.5925248082	 1.1048802442	 0.137505
+19
+0 2664	2.6116126	1.5309348	1.181516	2.6344	76.46	-0.22935	0.05653	0.28588	1096.7369	0.155544	-422.420282	-422.412087	-422.411143	-422.452496	32.39
+C	 0.4790214847	 0.7724054943	-0.1107698415	-0.419422
+C	 0.8808521267	-0.6842944567	 0.0487551988	-0.076065
+C	 2.1000405014	-0.9989802321	 1.0663800308	 0.028289
+O	 1.8688514672	-1.3001601843	 2.4053479013	-0.4181
+C	 2.4682475449	-2.0734505268	 0.031997526	 0.329398
+C	 1.587781754	-3.3409606877	-0.2290645937	-0.278819
+C	 2.0968070478	-2.7743977679	-1.5504064929	 0.007445
+O	 3.4747516104	-2.6415803028	-0.9201820047	-0.378505
+C	 1.7786634121	-1.3133964263	-1.0806781332	-0.040234
+H	 0.0943738807	 1.1726865284	 0.8335004442	 0.125857
+H	 1.3329839312	 1.3882246098	-0.4122643548	 0.120451
+H	-0.3013432655	 0.8852624266	-0.8705275119	 0.122642
+H	 0.0127464704	-1.2888233997	 0.3223282418	 0.081385
+H	 2.8039953422	-0.1617898355	 1.0425008846	 0.11637
+H	 1.3094015671	-2.0837888063	 2.4457212382	 0.287238
+H	 2.0472713055	-4.2807332407	 0.0755750654	 0.11252
+H	 0.515956119	-3.3030520987	-0.0251777321	 0.097802
+H	 2.1018350373	-3.2096558365	-2.5528879196	 0.092784
+H	 2.416304013	-0.5670823871	-1.5580444567	 0.088965
+19
+0 2665	2.9466626	1.4699343	1.2330584	0.877	76.07	-0.22718	0.04874	0.27592	1066.828	0.155548	-422.416317	-422.408166	-422.407221	-422.448356	32.429
+C	 1.08812771	-0.5534333987	-0.8616262749	-0.416674
+C	 0.8743849447	-0.1210534053	 0.582646734	-0.158715
+C	 1.9614840984	-0.7514195277	 1.6171600756	 0.091293
+O	 2.5522217629	-1.9722015026	 1.2906488824	-0.422136
+C	 2.8201971488	 0.5638134421	 1.4238912294	-0.094853
+C	 2.7643854485	 2.0251499396	 1.9883090692	 0.007247
+C	 1.3278799466	 1.8040669956	 2.4549236979	-0.262624
+C	 1.5150225139	 1.2046224062	 1.0278991983	 0.392321
+O	 2.2152269927	 2.474550842	 0.6419709149	-0.379267
+H	 0.9124587137	-1.6287695312	-0.965325914	 0.129665
+H	 0.3961016232	-0.0311211134	-1.5280046518	 0.133251
+H	 2.1022483809	-0.333857575	-1.2120560164	 0.119537
+H	-0.1732325273	-0.2536670167	 0.8711415152	 0.081951
+H	 1.526526945	-0.8826053841	 2.6078695649	 0.10754
+H	 3.0203181062	-1.8751745591	 0.454623738	 0.287324
+H	 3.525426119	 0.4565064485	 0.5951596426	 0.079051
+H	 3.5535970612	 2.6644890743	 2.3907676397	 0.094277
+H	 1.1505916932	 1.1257549317	 3.2922255641	 0.101938
+H	 0.7102250584	 2.7010131738	 2.4955366509	 0.108874
+19
+0 2666	2.6281337	1.5455753	1.1923138	1.3207	77.05	-0.22959	0.07747	0.30706	1080.2346	0.156823	-422.447426	-422.439422	-422.438478	-422.479433	31.943
+O	-2.7921982328	 0.1694356531	 1.6363239668	-0.437014
+C	-2.0819642978	-0.1932676905	 0.4779175598	 0.01643
+C	-0.8014356703	 0.7182843591	 0.2488831932	 0.011332
+O	 0.4694546911	 0.2486232105	 0.6057173626	-0.43853
+C	-1.1603141019	 0.669871708	-1.2381443651	 0.282734
+C	-1.6470748252	 1.3331207006	-2.5644319854	-0.309279
+C	-2.4531219128	-0.0288563187	-2.4013467319	-0.086984
+C	-1.1090633371	-0.6850693758	-2.0216930166	-0.238873
+C	-2.6307427835	 0.3700693198	-0.8906672449	-0.059075
+H	-3.5672881843	-0.3974554141	 1.7069563958	 0.28441
+H	-1.8104629127	-1.2538120112	 0.4836023975	 0.080746
+H	-1.0230422441	 1.7059741753	 0.6798610879	 0.084835
+H	 0.5676202714	 0.3388429088	 1.5592484693	 0.289231
+H	-2.2245894267	 2.2550974497	-2.4603718537	 0.097329
+H	-0.9493851849	 1.3822664209	-3.4065838694	 0.094047
+H	-3.2022457193	-0.4099759075	-3.1016992204	 0.067713
+H	-1.1482607666	-1.6145153969	-1.4546860911	 0.097624
+H	-0.3520834568	-0.7438080263	-2.807991933	 0.090329
+H	-3.2522657057	 1.2499339351	-0.6971972414	 0.072993
+19
+0 2667	2.7355669	1.5399543	1.246409	0.7741	77.15	-0.23411	-0.00031	0.2338	1061.2971	0.157065	-422.529367	-422.520947	-422.520003	-422.562143	31.97
+C	-0.0407122546	 1.5294156195	 0.0042321598	-0.401705
+C	 0.0128557308	 0.0113182015	-0.0292993379	-0.089113
+C	-1.2870069807	-0.703427981	 0.5692541382	 0.056534
+O	-2.5152476733	-0.0380230802	 0.5942041666	-0.41741
+C	-0.4761236922	-0.8297434534	 1.8401237858	 0.166888
+C	-0.4125178623	-0.3199073694	 3.0661346346	-0.252218
+C	 1.0333837727	 0.0819536626	 3.3195083524	-0.104679
+O	 1.6617581966	 0.0850390099	 2.0231009621	-0.276294
+C	 0.8362377936	-0.6558999786	 1.1422706483	 0.083894
+H	 0.9159799444	 1.955087228	-0.3101786358	 0.130128
+H	-0.822025318	 1.9043975797	-0.6639103341	 0.122634
+H	-0.2411255692	 1.9037612514	 1.0139370016	 0.111451
+H	 0.2836076411	-0.3492218212	-1.0255152339	 0.074598
+H	-1.4649094536	-1.6542779309	 0.0596991312	 0.104779
+H	-2.4063599721	 0.7569724709	 1.1277980393	 0.28426
+H	-1.2233786325	-0.0774097235	 3.7415955665	 0.107757
+H	 1.105571838	 1.0894715484	 3.749227882	 0.1118
+H	 1.5702744791	-0.6039646184	 3.9943542764	 0.107092
+H	 1.3544057225	-1.5632074553	 0.806013377	 0.079604
+19
+0 2668	2.8058532	1.5697393	1.2717705	1.6367	77.41	-0.23775	0.00156	0.23931	1053.6939	0.157159	-422.529319	-422.521022	-422.520078	-422.561866	31.761
+C	 0.0944248521	 1.5614181972	 0.1610055475	-0.402695
+C	-0.0056680404	 0.0558511196	-0.0060731475	-0.091234
+C	-1.4382654111	-0.6398453864	 0.0917613038	 0.087685
+O	-2.3422364591	 0.0521170755	 0.9061318654	-0.431499
+C	-0.7464796568	-1.8235717725	 0.8709202551	 0.040546
+O	-1.2738036019	-2.216443462	 2.1272294084	-0.288043
+C	-0.2743750792	-1.8768920432	 3.121755193	-0.11621
+C	 0.5801750449	-0.8004583317	 2.4674703882	-0.23117
+C	 0.349910859	-0.8479436091	 1.1597304252	 0.198281
+H	 1.1338610406	 1.8719954969	 0.3085687055	 0.115233
+H	-0.2875619384	 2.0779586595	-0.725462565	 0.118436
+H	-0.4948378501	 1.8834865482	 1.0226592021	 0.133575
+H	 0.468801274	-0.2743634956	-0.9376926705	 0.0828
+H	-1.9006898831	-0.8855944909	-0.8712232339	 0.071833
+H	-2.4425294396	-0.4827742791	 1.707429688	 0.291706
+H	-0.5254128899	-2.6900387249	 0.236380466	 0.083587
+H	-0.7900845228	-1.5086033581	 4.0160944822	 0.11783
+H	 0.2823109265	-2.7834770956	 3.405009921	 0.11162
+H	 1.1247180554	-0.0561615679	 3.0338434856	 0.10772
+19
+0 2669	2.7553536	1.524676	1.2140746	0.3142	77.65	-0.23056	0.00912	0.23967999999999998	1074.6051	0.157845	-422.54319	-422.534835	-422.533891	-422.576075	31.917
+O	 0.1136707118	 1.3694717617	 0.001196709	-0.431384
+C	 0.0738146524	-0.0355388927	 0.0477250675	 0.05841
+C	 0.1477780626	-0.6570308387	-1.4184119937	 0.026462
+O	 0.7429507808	 0.1374748822	-2.4123166685	-0.433428
+C	-1.3580072285	-0.7241371549	-1.3392106277	 0.230741
+C	-2.4540211326	-0.2715972212	-1.9417803416	-0.237266
+C	-3.4948455999	 0.0939032448	-0.8866726842	-0.236748
+C	-2.6396500149	 0.2941534897	 0.4091104416	-0.242086
+C	-1.3930669229	-0.5785360909	 0.1623171588	-0.059798
+H	 0.8968451413	 1.6043745777	-0.5123110281	 0.285019
+H	 0.7959834244	-0.4383907842	 0.7705334688	 0.061995
+H	 0.6624873047	-1.6223854141	-1.4214857621	 0.099625
+H	 0.1365832153	 0.8713134973	-2.5690454575	 0.282793
+H	-2.5937336344	-0.09410384	-3.0023449864	 0.096186
+H	-4.0499210993	 0.998288182	-1.1589449236	 0.103038
+H	-4.2442695089	-0.6998973976	-0.7580704803	 0.105841
+H	-2.3363806331	 1.3422119673	 0.4853806394	 0.124931
+H	-3.1843583356	 0.0325603916	 1.3202595461	 0.092331
+H	-1.4026136131	-1.5211621501	 0.7202513825	 0.073339
+19
+0 2670	2.7606041	1.4451101	1.0981663	4.2342	74.9	-0.26913	0.00841	0.27754	1143.8841	0.156561	-422.575924	-422.567313	-422.566369	-422.60923	32.065
+C	-4.1411211293	 0.6638961433	 1.2333250721	-0.416746
+C	-2.6719137559	 0.2614656953	 1.2292525254	-0.006833
+C	-1.6450367948	 1.4368236776	 1.4007544218	 0.001096
+C	-0.7351604036	 1.454326985	 2.6201773155	-0.41521
+C	-1.027762973	 1.0941480288	-0.0006259577	-0.253478
+C	-2.0628767433	-0.0435684425	-0.1595971028	 0.09863
+O	-0.9903479585	-1.0376048137	-0.0828635587	-0.256992
+C	-0.0271130108	-0.0566315355	 0.0324233318	 0.454413
+O	 1.1482372353	-0.2083194226	 0.1264244243	-0.330803
+H	-4.4400696246	 1.0400832332	 2.2172197677	 0.124777
+H	-4.3403851847	 1.45623489	 0.5023659543	 0.11711
+H	-4.7857827366	-0.1867729348	 0.9881506044	 0.124022
+H	-2.4987639141	-0.5680481926	 1.9211989686	 0.091995
+H	-2.1733272399	 2.3922561087	 1.3194169572	 0.084534
+H	-0.1715897573	 0.5211804695	 2.7163327021	 0.138088
+H	-0.010993999	 2.2735804533	 2.56295844	 0.126593
+H	-1.3223758636	 1.5892185572	 3.5350180782	 0.118267
+H	-0.8369129006	 1.8995945195	-0.7067896131	 0.105081
+H	-2.7021372757	-0.2140327795	-1.0251570813	 0.095455
+19
+0 2671	2.9608494	1.313201	1.0124249	3.2204	75.88	-0.23942	-0.02252	0.21689999999999998	1190.1105	0.155626	-422.548854	-422.540042	-422.539097	-422.582793	33.035
+C	-4.239308513	 0.7720679767	 1.1880282279	-0.414152
+C	-2.7683841641	 0.3884906418	 1.2838290093	-0.014376
+C	-1.754533444	 1.5907023644	 1.3690024584	 0.100213
+O	-2.3028915386	 2.8748814633	 1.1560016842	-0.425391
+C	-1.074087777	 1.1069853445	 0.0617526448	-0.163138
+C	-2.1090553858	-0.0734418461	-0.0507069061	-0.036064
+C	-0.9652649989	-1.1149419843	 0.0979103502	-0.372096
+C	 0.02106759	 0.0546097448	 0.2949003953	 0.396573
+O	 1.1929336057	 0.1212364492	 0.5272540232	-0.293811
+H	-4.6105397618	 1.1828767776	 2.133951605	 0.105657
+H	-4.3996693887	 1.524590609	 0.4116195177	 0.132983
+H	-4.848092402	-0.1062759465	 0.9493772344	 0.116629
+H	-2.6261819086	-0.3335584662	 2.0959507803	 0.067873
+H	-1.1057788146	 1.5891309932	 2.2553277726	 0.078826
+H	-2.7538282872	 3.1474823347	 1.9621293146	 0.286203
+H	-0.8924980136	 1.8806816557	-0.6845432173	 0.102471
+H	-2.7735997089	-0.1931234789	-0.9057575138	 0.074653
+H	-1.0319929301	-1.8464297932	 0.9090400653	 0.1236
+H	-0.7424800488	-1.6521372796	-0.831101926	 0.133347
+19
+0 2672	2.5782219	1.443763	1.0669035	2.4943	75.42	-0.24128	-0.02507	0.21620999999999999	1149.7663	0.155532	-422.550969	-422.542147	-422.541203	-422.584666	33.164
+C	-0.6482027386	-1.7372707689	-2.5908103561	-0.416387
+C	-1.5014350949	-1.6264584023	-1.3362971816	-0.011727
+C	-2.6325202466	-0.5538233971	-1.257770304	 0.142699
+O	-3.9590721318	-0.9996037692	-1.3906469589	-0.433405
+C	-2.1375220712	-0.1149560853	 0.1565960062	-0.090552
+C	-1.220360117	 1.135776412	 0.1413396206	-0.358188
+C	-0.0316585446	 0.2006184186	-0.1669995426	 0.412467
+O	 1.1247556621	 0.3857237262	-0.4141030595	-0.301117
+C	-0.891880705	-1.0649244178	-0.0102614977	-0.184782
+H	 0.1482316691	-2.4783336843	-2.4676824285	 0.124484
+H	-1.2631203015	-2.040800416	-3.4448405299	 0.123219
+H	-0.1718756292	-0.7834461181	-2.8379608587	 0.129024
+H	-1.9529970051	-2.60059577	-1.1081238835	 0.07284
+H	-2.5219834072	 0.2413211657	-2.0030507754	 0.08939
+H	-4.098761596	-1.7216353365	-0.7684407838	 0.2783
+H	-2.8600512189	-0.2103959632	 0.966646817	 0.073483
+H	-1.4363862695	 1.9281569975	-0.5816985465	 0.12644
+H	-1.0942322511	 1.5936038076	 1.1291873519	 0.13347
+H	-0.5384552729	-1.7881714289	 0.7267066809	 0.090344
+19
+0 2673	3.0476519	1.4651014	1.1952528	0.8024	74.05	-0.24784	0.06357	0.31141	1076.8725	0.156271	-422.494552	-422.486403	-422.485459	-422.526974	31.75
+C	 0.6934918242	 0.8254789668	 0.1344874829	-0.419074
+C	 0.9705967805	-0.6650715284	 0.2805579817	-0.02384
+C	 2.2350908564	-1.0420366758	 1.151710679	 0.110622
+O	 3.0288464568	 0.0378147145	 1.603193678	-0.437104
+C	 2.8957869684	-1.6918127984	-0.0900245322	-0.072992
+C	 2.5953104799	-3.1883623688	-0.3421950685	-0.00084
+O	 1.2691079667	-3.4591303366	 0.1356602147	-0.235645
+C	 1.4123649339	-2.8561312895	-1.1572920824	 0.004909
+C	 1.6451045743	-1.3363382329	-0.9557643359	-0.067155
+H	 0.3412586678	 1.2612702013	 1.0768070381	 0.102494
+H	 1.5920060646	 1.3717433381	-0.1659360658	 0.127309
+H	-0.0834063395	 1.0003812922	-0.6175037257	 0.112252
+H	 0.0730220403	-1.193862245	 0.6112363129	 0.079448
+H	 2.0128420326	-1.7429382771	 1.965087554	 0.076379
+H	 2.5649730439	 0.4688009985	 2.3282387986	 0.283114
+H	 3.8938322382	-1.3412146139	-0.3484899501	 0.083339
+H	 3.2795343321	-4.0289047966	-0.3749584708	 0.103889
+H	 0.9453107791	-3.3733003092	-1.9882120195	 0.102082
+H	 1.7396621895	-0.7531029291	-1.872381439	 0.070813
+19
+0 2674	2.7790998	1.4790198	1.115961	2.8709	74.54	-0.24926	0.06857	0.31783	1110.6183	0.15733	-422.515644	-422.507511	-422.506567	-422.548163	31.851
+O	 0.5109167726	 0.1203802025	 0.5332638924	-0.432201
+C	-0.7824999719	 0.5841243452	 0.827475911	 0.1324
+C	-1.3795559844	 0.3842526984	 2.244218911	 0.077025
+O	-2.4383836396	-0.5470810925	 2.2078323708	-0.435981
+C	-1.7767685304	 1.8910570797	 2.2901727415	-0.094686
+C	-0.7084690403	 2.7446453432	 2.9541213571	-0.049541
+C	-0.6173041152	 4.0943531782	 2.3048196049	-0.300399
+C	 0.0133314692	 2.923476496	 1.6047619787	-0.056893
+C	-1.056667161	 2.1100891998	 0.8885674958	-0.083122
+H	 1.1172474891	 0.5058662797	 1.1741863699	 0.281202
+H	-1.4518021937	 0.1014995763	 0.1102113677	 0.106414
+H	-0.6326355933	 0.1126148576	 3.0063913404	 0.055323
+H	-2.8496760775	-0.5707341083	 3.078029066	 0.281676
+H	-2.8322904742	 2.1016387793	 2.4762876613	 0.065986
+H	-0.2764018719	 2.550152834	 3.9304974328	 0.082047
+H	-1.5040339048	 4.5688893416	 1.8905059288	 0.108741
+H	 0.0801019904	 4.7844823965	 2.7694607577	 0.112357
+H	 1.0755648856	 2.9072337794	 1.3854536221	 0.082489
+H	-1.5246819688	 2.5607743633	 0.0103023301	 0.067162
+19
+0 2675	3.0071279	1.4401117	1.1070192	2.6543	75.95	-0.23409	0.01846	0.25255	1109.3431	0.157958	-422.562782	-422.554631	-422.553687	-422.59525	31.77
+O	-1.7100946556	-1.2574798288	-0.5935195785	-0.440123
+C	-1.9874865617	-0.1996109057	 0.2760110162	 0.154582
+C	-0.763720882	 0.6216496513	 0.785574604	 0.061313
+O	 0.2792153684	 0.4280441625	-0.1578682756	-0.451031
+C	-1.5766639517	 1.9257187561	 0.5367222004	-0.106754
+C	-2.3954864059	 2.4385053819	 1.6906800664	-0.090767
+C	-3.6991954918	 2.19669485	 1.5393698412	-0.057234
+C	-4.0204635895	 1.4782333812	 0.2467486871	-0.281487
+C	-2.6268274267	 1.1097814378	-0.2921425492	-0.051832
+H	-0.9007441203	-1.0124858639	-1.0610550743	 0.292362
+H	-2.5831635301	-0.5981738899	 1.1032178945	 0.085079
+H	-0.4117788605	 0.4313065135	 1.8080560343	 0.063968
+H	 0.9261869511	 1.1322983231	-0.0564620652	 0.2891
+H	-1.0002860242	 2.7120881269	 0.0343622158	 0.06504
+H	-1.9539601346	 2.9538953547	 2.5375964365	 0.089787
+H	-4.468057795	 2.4885714228	 2.2474076073	 0.093682
+H	-4.6448614018	 0.5889188652	 0.4066222447	 0.108775
+H	-4.5829527782	 2.1284399346	-0.4370415339	 0.10497
+H	-2.5279307099	 1.1685385067	-1.3765527318	 0.07057
+19
+0 2676	2.247431	1.9682765	1.4223086	1.7614	73.68	-0.23699	0.00215	0.23914000000000002	984.6528	0.158617	-422.564302	-422.556633	-422.555689	-422.596025	30.831
+C	 0.7617277791	 0.8655387237	-0.3498015939	-0.424085
+C	 0.9395717618	-0.6046316453	 0.0197561543	-0.002828
+C	 1.4847074421	-1.5469052646	-1.1064644941	 0.011172
+O	 1.9528477365	-2.661543208	-0.3270266401	-0.266902
+C	 2.9231125537	-1.9134600227	 0.4322150835	-0.035894
+C	 3.6838848402	-1.1724483481	-0.6557392148	-0.082466
+C	 2.7934326609	-0.9516195832	-1.6217953815	-0.083906
+C	 1.9709577669	-0.9107508249	 1.1604333679	 0.153553
+O	 1.3768835752	-1.5068484633	 2.2982838872	-0.449998
+H	 0.3666620212	 1.4320131324	 0.4993361071	 0.125103
+H	 1.7113798393	 1.3221905543	-0.6439996642	 0.118674
+H	 0.0583749658	 0.9846715168	-1.1820009249	 0.111831
+H	-0.02175448	-1.0077746816	 0.3544725966	 0.079226
+H	 0.7535172809	-1.8753805968	-1.8448991067	 0.079455
+H	 3.4823802242	-2.5644781377	 1.1031462057	 0.083143
+H	 4.7091704239	-0.8367158211	-0.5850645773	 0.109523
+H	 2.9131233323	-0.3922745436	-2.5391714965	 0.109964
+H	 2.4858847099	-0.0175509951	 1.5213710831	 0.084339
+H	 0.9831091061	-2.3338332113	 1.9937802085	 0.280097
+19
+0 2677	2.2403899	1.9517153	1.4299231	1.0036	74.01	-0.23328	0.00455	0.23782999999999999	974.3911	0.159128	-422.575334	-422.567718	-422.566774	-422.606866	31.092
+O	-2.8018332028	-0.4589190711	 1.1631006514	-0.444232
+C	-2.1259723091	 0.4095035012	 0.2768563035	 0.114116
+C	-2.5200008518	 1.9185273481	 0.402676943	-0.088539
+C	-1.3067839463	 2.5806167805	-0.2883631303	-0.221826
+C	-0.2809000161	 1.9525050217	 0.6901304934	-0.058125
+C	-0.9208403984	 2.3020788334	 2.0258188018	-0.093373
+C	-2.2479535083	 2.2918394215	 1.8575549242	-0.107797
+C	-0.5647073708	 0.4429458177	 0.4484101622	 0.104638
+O	 0.1373061213	 0.0489183023	-0.7211209821	-0.448358
+H	-2.6422128735	-0.1321685497	 2.0563893707	 0.27392
+H	-2.3571252392	 0.0425739228	-0.7278233975	 0.08538
+H	-3.5151633245	 2.1480555435	 0.0218248361	 0.063092
+H	-1.1557279341	 2.2546819364	-1.3210575894	 0.109612
+H	-1.332815402	 3.6716311029	-0.2379785503	 0.095994
+H	 0.7692091014	 2.2154098204	 0.5657474082	 0.070599
+H	-0.3741366388	 2.4491900411	 2.9490983681	 0.099383
+H	-3.0091510693	 2.4417159753	 2.6131965052	 0.100694
+H	-0.268649692	-0.1767504801	 1.305874825	 0.060401
+H	-0.1036409457	-0.8620988479	-0.9186135031	 0.284421
+19
+0 2678	2.124288	1.3125162	0.8914527	0.7828	78.58	-0.25035	-0.03191	0.21844000000000002	1316.5078	0.153633	-422.581548	-422.571564	-422.57062	-422.617011	34.813
+C	-1.142654119	 2.3786974614	 1.1084787765	-0.412987
+C	-1.0240576552	 1.1595750539	 0.2078115454	-0.118495
+C	-2.1217731978	 0.033219829	 0.2394766969	-0.106728
+C	-3.1029558733	 0.0431295114	-0.8951383378	 0.157149
+O	-4.3012839147	 0.023686459	-0.786759156	-0.249747
+C	-0.9923941789	-1.0590265653	 0.161072355	-0.118496
+C	-1.0756169381	-2.3178739499	 1.0095442391	-0.412987
+C	-0.0182978765	 0.0562410891	 0.5715749845	 0.380642
+O	 1.031991212	 0.0591550597	 1.1446629021	-0.297391
+H	-1.3110385374	 2.0832218089	 2.1484391269	 0.128475
+H	-0.2204864999	 2.96592355	 1.0737618033	 0.140503
+H	-1.9705895748	 3.0228081438	 0.7976160123	 0.130211
+H	-0.8518219989	 1.4597619195	-0.836029386	 0.106244
+H	-2.6513986535	 0.0055431803	 1.1946509255	 0.100234
+H	-2.6153364635	 0.0711046222	-1.901465414	 0.067936
+H	-0.8122994736	-1.30996317	-0.8943789153	 0.106246
+H	-1.8849936869	-2.9717113532	 0.6713186394	 0.130212
+H	-0.1370752215	-2.8765463574	 0.9507272653	 0.140504
+H	-1.2517793286	-2.0713674225	 2.0609138671	 0.128475
+19
+0 2679	2.0985659	1.1689244	0.9405816	3.172	79.83	-0.25784	-0.04687	0.21097000000000002	1327.9693	0.153565	-422.570533	-422.560467	-422.559523	-422.605618	35.533
+C	 1.1809263809	-0.4383906463	-0.9502468004	-0.424103
+C	 1.045642417	 0.2851906414	 0.3739749675	-0.064965
+C	 1.9630345459	 1.4235900201	 0.7460476168	-0.163475
+C	 1.4211849564	 2.678507951	 1.3216671855	 0.158989
+O	 1.9214902407	 3.7631107192	 1.1557135348	-0.260763
+C	 1.9643817883	 0.106330466	 1.5672279666	 0.187223
+C	 1.3836252135	 0.0383523433	 2.9660546426	-0.469294
+C	 3.2117371383	-0.6923959838	 1.3847265022	 0.127245
+O	 3.6882197303	-1.3936742186	 2.2423262424	-0.260191
+H	 0.802974366	-1.4632688922	-0.8761891234	 0.1352
+H	 0.5981389405	 0.0791780492	-1.7187879981	 0.134529
+H	 2.2144816124	-0.4852774504	-1.2998309958	 0.130515
+H	 0.0118227889	 0.4319350812	 0.6824357476	 0.105394
+H	 2.8335057571	 1.5832876801	 0.1153759786	 0.111004
+H	 0.4873871944	 2.5617411997	 1.9150301196	 0.0748
+H	 1.2390450236	-1.00736429	 3.2499345961	 0.143401
+H	 2.0644294804	 0.4817490678	 3.6981682988	 0.14105
+H	 0.4207899312	 0.5489802005	 3.0345054624	 0.117361
+H	 3.7003851043	-0.5932824582	 0.3913715163	 0.076079
+19
+0 2680	2.1067976	1.3612627	0.960041	4.2594	78.56	-0.23222	-0.01252	0.2197	1276.0244	0.15498	-422.531282	-422.522015	-422.52107	-422.565762	33.126
+C	 1.0752582508	 1.22367521	-0.0758425914	-0.41517
+C	 0.9257826669	-0.2768824325	 0.0277012651	-0.116993
+C	 1.9462492499	-1.0993253417	 0.8472371363	-0.212578
+C	 1.4452433255	-2.1967028126	 1.7009593081	 0.168433
+O	 1.950513908	-2.5329917308	 2.7454793906	-0.277906
+C	 1.8285437344	-1.2145468026	-0.6660166463	 0.442168
+C	 2.9286559851	-1.0001032627	-1.699777706	-0.35936
+C	 2.416353977	-2.3393243946	-2.2756368038	-0.074947
+O	 1.3547655296	-2.4034961447	-1.2907874315	-0.30195
+H	 0.7094602612	 1.7193894621	 0.8289566959	 0.132248
+H	 2.1227046659	 1.5106118068	-0.2115871368	 0.121924
+H	 0.5080487853	 1.6145556847	-0.9274945339	 0.127244
+H	-0.0961643806	-0.6411557878	 0.1198041355	 0.107552
+H	 2.8149404818	-0.5767528154	 1.2375411139	 0.101482
+H	 0.5418173157	-2.7113315728	 1.3052553864	 0.080618
+H	 2.7846289184	-0.1335331586	-2.3484055984	 0.121536
+H	 3.9502358184	-1.0043889341	-1.3175247635	 0.12499
+H	 2.0166251676	-2.3075743385	-3.2940303583	 0.114375
+H	 3.106381509	-3.1845074042	-2.1798113217	 0.116334
+19
+0 2681	2.1705685	1.2718233	0.9227366	2.9436	78.11	-0.24821	-0.02396	0.22424999999999998	1299.817	0.155143	-422.526866	-422.517653	-422.516709	-422.561294	32.85
+C	 1.081084281	 1.1594417331	-0.0245456641	-0.416249
+C	 0.9370420064	-0.3450245581	 0.0209653544	-0.095392
+C	 1.9621430269	-1.1838618473	 0.7956463743	-0.186664
+C	 1.4698408624	-2.3168246381	 1.6066460199	 0.163624
+O	 1.963913763	-2.6950896216	 2.6400604003	-0.267874
+C	 1.8534109791	-1.2464494401	-0.7169582573	 0.262692
+C	 1.5319178341	-2.4376483448	-1.6195759573	-0.143873
+O	 2.5348604858	-2.0103500078	-2.5653986881	-0.271743
+C	 2.9369629797	-0.9000902629	-1.7347867548	-0.137157
+H	 0.6746108402	 1.620530364	 0.8809074189	 0.132874
+H	 2.1307505918	 1.4573393017	-0.1082365899	 0.124545
+H	 0.5460051273	 1.5769132136	-0.8843119804	 0.129714
+H	-0.0881106442	-0.7031178269	 0.1084701334	 0.09762
+H	 2.8235190192	-0.6676624272	 1.2098153416	 0.105615
+H	 0.5639509054	-2.8173011578	 1.1864733192	 0.063797
+H	 1.7556461923	-3.4306075066	-1.2091322773	 0.112345
+H	 0.5263780624	-2.4473638901	-2.0595825724	 0.107338
+H	 3.9712948657	-1.0033101119	-1.3824390704	 0.110481
+H	 2.8257850915	 0.0625843389	-2.25033101	 0.108306
+19
+0 2682	2.3068487	1.2219302	0.9238188	3.6488	78.7	-0.23859	-0.01684	0.22175	1300.698	0.155027	-422.533902	-422.524546	-422.523602	-422.568427	33.703
+O	 0.5825763617	 0.5327207972	-3.0391241177	-0.414276
+C	 1.5195604887	 0.8393744369	-2.0601221817	 0.06809
+C	 1.1444159349	 0.8265011083	-0.5683743335	-0.249119
+C	 2.0756817825	 0.2046593411	 0.3900735437	 0.162998
+O	 1.7477036986	-0.4020298287	 1.3818932517	-0.27378
+C	 1.5268057457	 2.1134242342	-1.3062627156	 0.281724
+C	 0.602911823	 3.3037621252	-1.5978172419	-0.305843
+C	 1.8777883	 4.1931182258	-1.7152678191	-0.203929
+C	 2.7244732471	 3.0492036849	-1.0825489624	-0.297017
+H	-0.2383473098	 0.9968683915	-2.8433217674	 0.291096
+H	 2.4775039394	 0.3960697554	-2.3184766763	 0.118124
+H	 0.0913522075	 0.6960876427	-0.3318969673	 0.098927
+H	 3.1529829292	 0.3250327299	 0.1235874444	 0.061819
+H	-0.0224029981	 3.2294631044	-2.4938621601	 0.099436
+H	-0.0320243796	 3.5738920104	-0.7494808773	 0.116166
+H	 2.1508722261	 4.3881468813	-2.7544741981	 0.114906
+H	 1.8582770977	 5.1411058683	-1.1750176021	 0.108923
+H	 3.6580986609	 2.7844636786	-1.5857371142	 0.107818
+H	 2.9352182643	 3.2211064628	-0.0229308052	 0.113935
+19
+0 2683	1.8143335	1.3042337	0.8971819	4.3789	79.29	-0.23875	-0.03632	0.20243	1371.8594	0.15368	-422.579177	-422.569052	-422.568108	-422.614958	35.32
+C	 1.3470018425	-0.9453628913	 3.6086836781	-0.416958
+C	 0.6462728661	-0.8150125455	 2.2766663679	-0.025492
+C	-0.8227583876	-0.4804126674	 2.2108504697	-0.121874
+C	-1.7205765198	-1.1983361268	 1.2670792685	 0.138387
+O	-2.876788141	-1.4366039694	 1.5260065339	-0.270873
+C	 0.2475725254	 0.5302157415	 1.7327412351	-0.145977
+C	 0.4415494592	 0.8184569749	 0.2751023892	 0.386949
+C	 0.6012945221	 2.2800180993	-0.092700913	-0.485756
+O	 0.4829358152	-0.0629045476	-0.5580981455	-0.321041
+H	 1.1990258502	-1.9448610282	 4.0301264048	 0.134321
+H	 2.4243559561	-0.7817414895	 3.5017778942	 0.129279
+H	 0.9651875151	-0.2178927414	 4.3319752879	 0.121742
+H	 0.979260835	-1.4954603003	 1.4960697134	 0.122154
+H	-1.3143221824	-0.2069912262	 3.1397388988	 0.109643
+H	-1.2551897967	-1.5207357553	 0.3167210855	 0.11366
+H	 0.3563662368	 1.3833745241	 2.3951792818	 0.096042
+H	 1.4640000893	 2.7099903478	 0.4295217395	 0.142738
+H	 0.7343707141	 2.3806775456	-1.1699946583	 0.146398
+H	-0.2790413698	 2.8482984855	 0.2291810885	 0.146658
+19
+0 2684	2.0297781	1.2231248	0.8583778	1.9818	77.75	-0.24998	-0.02161	0.22837000000000002	1368.0081	0.154801	-422.528628	-422.519211	-422.518267	-422.563631	33.438
+C	 3.3961516147	 1.2029260605	-1.6038945981	-0.414769
+C	 3.4658961717	-0.0333191588	-0.7365757431	-0.035574
+C	 2.8361114266	-0.019285249	 0.657283966	-0.130478
+C	 3.5744562001	-0.6475930447	 1.7738032598	 0.162374
+O	 3.5554589641	-0.2508714774	 2.9134926913	-0.273037
+C	 2.2615978506	-0.8727452869	-0.479494781	-0.062988
+C	 2.2658173879	-2.3695953832	-0.4267686092	 0.051176
+C	 3.3695159183	-3.2162787866	-0.9026231367	-0.174232
+O	 2.1950652157	-3.0405200681	-1.6901037652	-0.232359
+H	 4.1736020984	 1.9228948803	-1.3291734181	 0.129286
+H	 3.5308255034	 0.9443808975	-2.6593965329	 0.132007
+H	 2.4267998796	 1.7009502859	-1.502993947	 0.123554
+H	 4.4108746509	-0.5689456254	-0.7855081209	 0.095035
+H	 2.2693112185	 0.860608006	 0.9437421076	 0.106463
+H	 4.1847098035	-1.5353050426	 1.4867352227	 0.068015
+H	 1.3247896323	-0.4775708064	-0.8673835099	 0.111081
+H	 1.6011489451	-2.7988565108	 0.3252838718	 0.105768
+H	 4.2718441245	-2.7616375853	-1.3067434889	 0.118593
+H	 3.5055527543	-4.2074471152	-0.4713859782	 0.120086
+19
+0 2685	2.3897993	1.1171512	0.864674	2.4555	79.48	-0.24402	-0.01945	0.22457	1373.1301	0.155291	-422.534797	-422.52548	-422.524536	-422.569438	33.817
+O	 1.7944260106	 3.7044900009	-0.7776969802	-0.412037
+C	 2.1838402345	 2.600750715	-0.0306597021	 0.090334
+C	 1.9026389924	 1.1907323461	-0.5955920202	-0.195141
+C	 1.5646414549	 0.1310356858	 0.3661594422	 0.125391
+O	 2.0440976231	 0.0483460476	 1.4776403296	-0.285195
+C	 3.3179468185	 1.8034496496	-0.5404369866	-0.040263
+C	 4.0210314012	 2.1599675921	-1.8078056256	 0.012279
+C	 5.4860697819	 2.5258662036	-1.7669190322	-0.269454
+C	 5.0520654755	 1.2229653969	-2.3886867299	-0.274108
+H	 0.8606404092	 3.8698164766	-0.6108507773	 0.294513
+H	 2.0695275594	 2.6804443466	 1.0496489503	 0.114379
+H	 1.4261945617	 1.1608028018	-1.5695705097	 0.095142
+H	 0.8118207008	-0.6097653315	 0.0165860168	 0.073765
+H	 3.9330053231	 1.3471588505	 0.2315065947	 0.113383
+H	 3.4120690887	 2.7132767983	-2.5138767699	 0.098349
+H	 5.8304053852	 3.3229161899	-2.4161588178	 0.115548
+H	 5.9908470327	 2.4855821991	-0.8074214901	 0.115209
+H	 5.1018552859	 1.1218265461	-3.4671882509	 0.112506
+H	 5.2657339707	 0.3076136651	-1.8465855311	 0.1154
+19
+0 2686	2.3515889	1.3016296	1.1954829	1.3719	76.54	-0.2485	-0.0257	0.2228	1163.4563	0.154869	-422.542333	-422.533011	-422.532067	-422.576701	33.984
+C	 3.6960989855	 1.3462096498	-3.374644259	-0.507759
+C	 2.6911353886	 1.8159398097	-2.3620888974	 0.369727
+C	 2.4910163066	 3.2666454894	-2.0078092907	-0.334407
+C	 2.8760211221	 2.3037322792	-0.9196597221	-0.116947
+C	 1.6124564683	 1.5388528026	-0.4673522761	-0.131962
+C	 1.8773993652	 0.4846169889	 0.575817133	 0.127983
+O	 2.0057641026	-0.6949300541	 0.3576238897	-0.244155
+C	 1.4630706553	 1.0150216714	-1.9365431465	 0.032401
+O	 0.2888601722	 1.3367152604	-2.6477627138	-0.439591
+H	 4.0075490855	 0.3139454905	-3.1795570835	 0.122594
+H	 3.277392421	 1.3839786097	-4.3870128028	 0.13016
+H	 4.5921720666	 1.9753022848	-3.3642702461	 0.116764
+H	 3.2835238017	 3.9281705393	-2.3444705028	 0.111456
+H	 1.4993595913	 3.709860699	-2.0234051394	 0.121632
+H	 3.7908583492	 2.3952331402	-0.3460292439	 0.092614
+H	 0.8090494592	 2.1973833747	-0.1123300867	 0.087622
+H	 1.9702198546	 0.8795439993	 1.6139386713	 0.078463
+H	 1.6680282404	-0.061478067	-1.9523455841	 0.096943
+H	-0.3902544559	 0.6948224122	-2.4179404189	 0.286461
+19
+0 2687	2.5929754	1.1762303	1.0215998	3.6677	76.74	-0.24367	-0.02064	0.22303	1241.2891	0.154723	-422.539108	-422.52982	-422.528875	-422.573226	34.193
+C	 0.7439485157	-0.1315976417	-0.9341327975	-0.423415
+C	 1.0028510729	 0.3198541633	 0.4966108041	-0.067184
+C	 1.9904998762	-0.5278147452	 1.4015714278	-0.088883
+C	 1.2906133743	-1.1422620751	 2.5809325482	 0.151146
+O	 1.2866638204	-2.3166915217	 2.8489202245	-0.259757
+C	 2.7579162754	 0.7688691391	 1.7163986878	-0.130296
+C	 3.3038672883	 1.3471354604	 0.4292908614	-0.357744
+C	 1.8595372494	 1.5615418167	 0.7786716896	 0.397609
+O	 1.3230664004	 2.8187147204	 0.9894610149	-0.462554
+H	 0.2237958845	-1.0947440239	-0.9549653011	 0.128881
+H	 0.1164719076	 0.5957691053	-1.4612605213	 0.118803
+H	 1.6751228456	-0.2440357428	-1.4984682582	 0.118477
+H	 0.0520359284	 0.4389839384	 1.0291267003	 0.090126
+H	 2.559643911	-1.2999438424	 0.8762304173	 0.086485
+H	 0.7381566967	-0.4066667812	 3.2135212833	 0.075755
+H	 3.16445029	 1.0411405551	 2.6824596549	 0.10367
+H	 3.920981129	 2.229184054	 0.5698959134	 0.118877
+H	 3.6196104016	 0.6984112738	-0.384474649	 0.110851
+H	 1.3982292326	 3.3259381774	 0.1741673394	 0.289151
+19
+0 2688	3.1486515	1.2065513	1.0231059	3.5047	76.16	-0.23841	-0.02543	0.21298	1213.6383	0.154186	-422.535959	-422.526583	-422.525639	-422.570346	33.911
+C	 0.856973399	 0.883747453	 0.023452074	-0.420973
+C	 1.0548247445	-0.5997967948	 0.3031764729	-0.065442
+C	 2.205224661	-1.0789909443	 1.3008219774	-0.128585
+C	 3.1162884349	-0.0310320582	 1.8850785788	 0.150473
+O	 3.1083917587	 0.2968051928	 3.0465910663	-0.25944
+C	 2.7785300918	-1.8979619449	 0.1300738538	-0.079498
+O	 3.0683031682	-0.9687579711	-0.9250495921	-0.285638
+C	 1.7214123046	-1.4576663433	-0.7944927282	 0.419493
+C	 1.0856533822	-2.0934529925	-1.9868107296	-0.506143
+H	 0.6013358312	 1.4276785616	 0.9382394475	 0.131195
+H	 1.7630063196	 1.3266486327	-0.3982891543	 0.135663
+H	 0.0409668149	 1.0349030807	-0.6913673894	 0.118044
+H	 0.1154860953	-1.05825202	 0.6278931637	 0.088314
+H	 1.7959965108	-1.6866146557	 2.110406606	 0.0954
+H	 3.8128864156	 0.4370008718	 1.158224916	 0.094759
+H	 3.3650829292	-2.8093359068	 0.1640044756	 0.110164
+H	 0.201898128	-2.6693556335	-1.6942874629	 0.127889
+H	 0.7684427402	-1.3339454242	-2.7101972758	 0.135609
+H	 1.7923757704	-2.7619850132	-2.4853054297	 0.138716
+19
+0 2689	2.4409421	1.1020469	0.9240375	2.2897	77.54	-0.24	0.04693	0.28693	1338.2698	0.153182	-422.508432	-422.498153	-422.497208	-422.543892	37.787
+C	 3.1355685841	-3.5163483162	-1.6572671391	-0.440765
+C	 3.3475894379	-2.0275301119	-1.5659269098	 0.406695
+O	 3.0075443791	-1.3628297202	-2.7484233304	-0.467914
+C	 4.5124533984	-1.4422989257	-0.809169578	-0.024278
+O	 5.1228943288	-0.3584502894	-1.4607841677	-0.429974
+C	 3.1041637669	-1.290884533	-0.2528732985	-0.124378
+C	 2.4115217418	 0.0653816516	-0.2498861354	-0.374516
+C	 1.0433773194	-0.0145986412	 0.2504117144	 0.298097
+C	-0.0777443709	-0.0943302713	 0.6755792483	-0.445294
+H	 3.4036036168	-4.0092333449	-0.7181004907	 0.111994
+H	 2.0847284222	-3.7370100262	-1.8702866249	 0.133331
+H	 3.7439086864	-3.9421524787	-2.4616487858	 0.12265
+H	 3.7214246042	-0.7337835704	-2.9235008829	 0.296108
+H	 5.2063241897	-2.1067932629	-0.2959822268	 0.09229
+H	 5.2455825017	 0.3601988188	-0.832092157	 0.299888
+H	 2.8843451989	-1.9098572954	 0.6117893049	 0.097456
+H	 2.9714557551	 0.7851340648	 0.3645112809	 0.113551
+H	 2.4001735936	 0.4610355987	-1.2709867082	 0.141458
+H	-1.0724287739	-0.1556924164	 1.0413253867	 0.193603
+19
+0 2690	2.7057119	1.2897138	1.1856514	0.5615	77.25	-0.25635	0.0159	0.27225000000000005	1151.8745	0.153272	-422.516802	-422.50688	-422.505936	-422.551121	36.793
+C	 0.0234485995	 0.5420961146	 0.1137146023	-0.437318
+C	 1.4823560033	 0.1424630324	-0.0258484069	 0.373672
+C	 2.1804216966	-0.002322323	 1.3196980317	-0.427172
+O	 1.6038848944	-1.0901136024	-0.8141750164	-0.325389
+C	 2.5342146028	-0.4962429335	-1.7405211622	-0.110014
+C	 3.9001334301	-0.9840933987	-1.6005571478	 0.307804
+C	 5.0467148906	-1.3207011189	-1.454413733	-0.431037
+C	 2.2987049888	 0.9154178192	-1.111026501	 0.037342
+O	 3.3940380572	 1.6953741919	-0.7519081141	-0.421616
+H	-0.5267451127	-0.2074225418	 0.6916409662	 0.126184
+H	-0.0623169909	 1.5037826957	 0.6308505495	 0.122609
+H	-0.450776493	 0.6305098684	-0.8680436471	 0.117695
+H	 1.6500821446	-0.7350029827	 1.935775364	 0.123784
+H	 3.2100626859	-0.348219892	 1.1993799997	 0.116689
+H	 2.1966164538	 0.9541628323	 1.8508505293	 0.125145
+H	 2.1965893159	-0.6142699459	-2.7766731665	 0.107358
+H	 6.0494682953	-1.6562281857	-1.3491412777	 0.20814
+H	 1.6538028631	 1.5369768428	-1.7371193534	 0.098265
+H	 4.1250912448	 1.1047437074	-0.5274319966	 0.287859
+19
+0 2691	3.1212	1.1514517	1.0139353	1.2896	77.95	-0.2488	0.04249	0.29129	1232.8523	0.153837	-422.522996	-422.513125	-422.512181	-422.557292	37.003
+C	-3.4717295614	 0.7702767285	-1.0781718486	-0.430518
+C	-2.9108229814	 1.125267778	 0.2872396394	 0.401184
+O	-3.9633511096	 1.6153326841	 1.0778454927	-0.485908
+C	-2.0117400975	 0.0179480031	 0.9225909638	-0.302068
+C	-0.7474786205	 0.8125625136	 0.4607004357	-0.207631
+C	 0.3854724496	 0.9113844141	 1.3543985933	 0.337337
+C	 1.3273706845	 0.97371991	 2.0988488308	-0.44601
+C	-1.6511398503	 2.066973898	 0.2436559557	 0.03861
+O	-1.6055956894	 2.914637811	 1.3759235736	-0.42534
+H	-4.2363277125	-0.0065452572	-0.9817483756	 0.129151
+H	-3.9326675093	 1.6493800732	-1.5390802842	 0.120258
+H	-2.6875790485	 0.3982356634	-1.7448705079	 0.115481
+H	-3.5415629679	 2.0319062562	 1.8416217317	 0.275546
+H	-2.1024976429	 0.0125376186	 2.0105676931	 0.114778
+H	-2.119495277	-1.0019667283	 0.547264987	 0.105279
+H	-0.4129028137	 0.4524243616	-0.5178546785	 0.106653
+H	 2.156344335	 1.0379438785	 2.7588842833	 0.191729
+H	-1.4786412957	 2.629722838	-0.6819679921	 0.067299
+H	-2.0918493715	 3.7164396054	 1.1587467269	 0.294167
+19
+0 2692	3.2416659	1.0458529	0.8758844	2.0448	77.42	-0.25245	-0.02704	0.22541	1329.4393	0.15473	-422.53622	-422.527094	-422.52615	-422.570582	33.153
+C	 3.339038952	-0.2132505773	 0.5548828435	-0.42291
+C	 1.8847393189	-0.3827175455	 0.149270246	-0.07555
+C	 1.4908263448	-0.2202501179	-1.3655630562	-0.082389
+C	 0.1920042016	 0.5235784545	-0.9100728329	-0.354927
+C	 0.8520624389	 0.7083939863	 0.4545531728	 0.455898
+C	 1.0203322209	 1.9402891886	 1.2266361491	-0.267363
+O	 0.172795878	 0.8702202637	 1.6794527429	-0.273066
+C	 1.302088043	-1.4931830026	-2.1376703053	 0.159337
+O	 1.8677597268	-1.7803020779	-3.1610189856	-0.252492
+H	 3.4422962383	-0.2273939317	 1.6451810122	 0.129557
+H	 3.95663281	-1.0224810047	 0.1522083458	 0.130024
+H	 3.7453890183	 0.7345135546	 0.1870818806	 0.120158
+H	 1.4934512005	-1.3397030273	 0.5196579251	 0.092377
+H	 2.1848858945	 0.4326773933	-1.8987853855	 0.093033
+H	-0.0975219619	 1.4112165361	-1.4751288187	 0.120847
+H	-0.6635961701	-0.1578018697	-0.8484584694	 0.12103
+H	 1.9218622961	 2.098930683	 1.8163521503	 0.119739
+H	 0.5010969462	 2.8466695709	 0.9174370032	 0.118377
+H	 0.5689472831	-2.1949633064	-1.6693861978	 0.068318
+19
+0 2693	3.0330212	1.1387591	0.939331	2.8788	76.81	-0.238	-0.03315	0.20484999999999998	1283.003	0.154078	-422.529696	-422.520383	-422.519439	-422.564659	33.57
+C	 0.6383316707	 0.9462679006	-0.237180114	-0.412639
+C	 0.8221623886	-0.5584035248	-0.1278741005	-0.147514
+C	 1.8175369646	-1.0797992861	 0.9556197729	 0.043701
+O	 2.5847165518	-1.7930589762	-0.0330081965	-0.321472
+C	 1.776625253	-1.2669444843	-1.0917662635	 0.464882
+C	 1.5163442887	-2.044162197	-2.3346843722	-0.336148
+C	 2.3821766794	-0.7890408116	-2.3696680524	-0.335586
+C	 1.2111307963	-1.9982855168	 1.9918360801	 0.129486
+O	 0.8258774802	-1.6288697174	 3.0707857289	-0.244641
+H	 0.108370211	 1.3351254135	 0.63799788	 0.133402
+H	 1.6031577164	 1.4575684608	-0.308639282	 0.127426
+H	 0.0501317791	 1.2054960156	-1.1239508474	 0.122674
+H	-0.1496798703	-1.0596002538	-0.0679128223	 0.09352
+H	 2.3942883133	-0.2882043006	 1.4486747761	 0.102119
+H	 2.0196195407	-3.0002530661	-2.4314839205	 0.128359
+H	 0.5248728678	-2.0051226816	-2.7750942085	 0.117337
+H	 3.4520162469	-0.9244708962	-2.4867227193	 0.128934
+H	 1.9827667369	 0.1052142304	-2.8371841382	 0.117786
+H	 1.1210456848	-3.0551304085	 1.6515328893	 0.088376
+19
+0 2694	2.5955985	1.4106538	1.2763731	3.011	76.04	-0.24958	-0.0359	0.21367999999999998	1088.3946	0.156143	-422.54114	-422.532497	-422.531553	-422.574529	32.559
+O	 0.3595725042	-0.1424193554	-2.0978375877	-0.43188
+C	 0.3202848089	 1.1468282391	-1.56939396	 0.077619
+C	 0.8205064843	 1.4076020127	-0.1066336229	-0.161424
+C	 1.4933828696	 2.7394091881	-0.6246799849	-0.333409
+C	 1.3198221502	 2.2138673247	-2.052006427	 0.343837
+C	 1.3510397703	 2.945687204	-3.3561637978	-0.343888
+C	 2.4251320546	 1.9333426363	-3.0260296559	-0.307973
+C	 1.8707503536	 0.4628913834	 0.3961124739	 0.160895
+O	 2.4228677655	-0.3903794732	-0.2642371807	-0.267202
+H	 1.201240776	-0.5278295462	-1.8106788108	 0.297372
+H	-0.7114555216	 1.5004580064	-1.6783716084	 0.089687
+H	 0.0622190204	 1.5452149148	 0.6700005419	 0.089522
+H	 0.874630134	 3.6110756474	-0.3951843873	 0.114818
+H	 2.5145366187	 2.9344725782	-0.2849551008	 0.112246
+H	 0.6117698988	 2.6771690842	-4.1046808079	 0.119268
+H	 1.6194556337	 3.997611842	-3.3487748767	 0.110084
+H	 2.3960812821	 0.9792821956	-3.5421245905	 0.125447
+H	 3.4218222747	 2.2952135431	-2.794657757	 0.111023
+H	 2.1642408122	 0.6161874649	 1.4584871306	 0.093957
+19
+0 2695	2.8473229	1.1123636	0.90301	3.5222	77.59	-0.24369	-0.0241	0.21958999999999998	1324.4661	0.153714	-422.588906	-422.579	-422.578056	-422.624939	34.775
+C	-1.6094959785	 1.8137088627	 1.2452215804	-0.414857
+C	-1.0812975609	 0.892853483	 0.1578526055	-0.09112
+C	-1.8217512194	-0.4625045874	-0.1927115859	-0.120816
+C	-0.4459100801	-1.1900737211	-0.2386205478	-0.356458
+C	 0.1538071939	 0.0279169024	 0.4642161038	 0.38566
+O	 1.1270648015	 0.2143832279	 1.1351282333	-0.297711
+C	-2.6061912594	-0.4277179111	-1.4913969796	 0.378469
+C	-4.112874088	-0.3149638259	-1.3776065257	-0.484167
+O	-2.0401762977	-0.4582827388	-2.5617938458	-0.307773
+H	-1.812698092	 1.2601963262	 2.167524518	 0.124305
+H	-0.8677480286	 2.5836526565	 1.4775360596	 0.14356
+H	-2.5320101522	 2.315152962	 0.9359420627	 0.120541
+H	-0.8981893691	 1.4412800367	-0.775319262	 0.121078
+H	-2.4432863614	-0.784009031	 0.6467586211	 0.081963
+H	-0.3440426196	-2.1570330029	 0.2575929783	 0.128589
+H	-0.1013618835	-1.2656590167	-1.2758539106	 0.156833
+H	-4.3870452813	 0.5293282511	-0.7346040963	 0.141353
+H	-4.5586160575	-0.1933549378	-2.3652991194	 0.145471
+H	-4.5159717462	-1.2160738359	-0.9001674094	 0.14508
+19
+0 2696	3.3171014	1.0097601	0.8184598	2.578	76.63	-0.24235	-0.02042	0.22193000000000002	1384.6878	0.154843	-422.541603	-422.5324	-422.531455	-422.57638	33.041
+C	-0.9901208832	 2.12130403	 1.1625451192	-0.412494
+C	-0.8527376299	 1.0116697794	 0.1304508616	-0.108255
+C	-1.9991963	-0.0375551187	-0.0809351563	-0.020062
+C	-0.9426344305	-1.1894158155	-0.1043921402	-0.367
+C	 0.0723573893	-0.1772559953	 0.4463596489	 0.387078
+O	 1.1175899932	-0.2705661077	 1.021537315	-0.295615
+C	-2.8644200389	 0.1345647666	-1.2949312733	 0.078757
+C	-4.2025034046	 0.7379846898	-1.2341392777	-0.18585
+O	-4.0401430667	-0.6744227468	-1.3739900537	-0.236852
+H	-1.2941624171	 1.7186500493	 2.1340765353	 0.123891
+H	-0.0337302158	 2.6341601993	 1.3002155281	 0.138891
+H	-1.7335949628	 2.8626912555	 0.8535346895	 0.120753
+H	-0.5548318047	 1.4279320652	-0.8429555708	 0.100792
+H	-2.6299691928	-0.1094194693	 0.809975832	 0.086029
+H	-1.1300950174	-2.0797500048	 0.4991703304	 0.136105
+H	-0.6845676529	-1.5051806698	-1.1219995912	 0.13156
+H	-2.3190595293	 0.2111291843	-2.2395421916	 0.089974
+H	-4.5981339132	 1.0691335764	-0.2745447719	 0.114484
+H	-4.6065491127	 1.2527664919	-2.1046928733	 0.117815
+19
+0 2697	3.2014614	1.0639373	0.8629315	4.3516	76.31	-0.26408	0.01512	0.2792	1360.3661	0.156554	-422.574475	-422.565581	-422.564637	-422.608629	32.381
+C	-0.8730271057	-2.0448222974	 1.2738510245	-0.414092
+C	-0.8697325797	-1.0642171845	 0.1079647335	-0.211748
+C	-2.0204326116	-0.0383190268	-0.0298119885	 0.125764
+O	-1.04059477	 1.0633519004	 0.0994493232	-0.262713
+C	-0.0009698328	 0.1867427184	 0.2643856652	 0.449418
+O	 1.1418539119	 0.4427603717	 0.4741586089	-0.328992
+C	-2.786596443	 0.0274953501	-1.3097506117	 0.006998
+C	-4.1435875814	-0.6344902511	-1.3936925409	-0.273255
+C	-4.0369615816	 0.8664034383	-1.3989952735	-0.266422
+H	-1.613773288	-2.835038677	 1.1189637187	 0.126178
+H	 0.1095990375	-2.5138962196	 1.3759397241	 0.143609
+H	-1.1029841257	-1.5396965556	 2.2172386392	 0.1292
+H	-0.6576632359	-1.578227883	-0.8348629445	 0.111369
+H	-2.6913667976	-0.0139505013	 0.8356848208	 0.088066
+H	-2.1664006211	-0.0167710979	-2.2008773922	 0.09307
+H	-4.4021557565	-1.1420576079	-2.3157130595	 0.121355
+H	-4.5329031427	-1.1136872385	-0.5012428047	 0.116903
+H	-4.2246538965	 1.395973537	-2.3256876725	 0.122781
+H	-4.3493900596	 1.4025329648	-0.5092002504	 0.122511
+19
+0 2698	2.8452083	1.1878411	0.9898482	2.1608	75.91	-0.24834	-0.02672	0.22162	1244.3164	0.15557	-422.544986	-422.535836	-422.534891	-422.579485	33.358
+O	-1.1702711885	-2.3749912148	-0.5289028099	-0.42557
+C	-1.0822124783	-1.2137221465	 0.2351335637	 0.057628
+C	-2.1522086876	-0.049604711	 0.1205392092	-0.099914
+C	-0.9836962737	 0.9890282694	 0.2495856001	-0.350092
+C	-0.0563148439	-0.1569643607	-0.1705031086	 0.338458
+O	 0.919789571	-0.2406171544	-0.8640608729	-0.310633
+C	-2.866277054	-0.0032827763	-1.2049565644	 0.057783
+C	-4.190086723	-0.6981392196	-1.3789152171	-0.26336
+C	-4.1291358684	 0.8094801578	-1.3596681367	-0.285051
+H	-0.5475945769	-2.2824349029	-1.2607103356	 0.297043
+H	-0.96643686	-1.4763323132	 1.2958557408	 0.106249
+H	-2.870293874	-0.0347707193	 0.9434630746	 0.076627
+H	-1.0002577162	 1.8607419186	-0.406966773	 0.133244
+H	-0.8088451776	 1.3114899082	 1.2798225234	 0.128568
+H	-2.2074405903	-0.0197178452	-2.0706420851	 0.084082
+H	-4.3892705811	-1.1967207774	-2.320568782	 0.115596
+H	-4.612963876	-1.2005543135	-0.515378512	 0.114455
+H	-4.2862337454	 1.3449297359	-2.2893665975	 0.114167
+H	-4.5118802363	 1.3226978251	-0.4833444769	 0.110721
+19
+0 2699	3.3114837	0.8801813	0.7519922	0.2744	78.46	-0.24847	-0.04638	0.20209	1485.1764	0.154221	-422.567826	-422.558146	-422.557202	-422.603558	33.757
+C	 3.4038536281	 0.0252741295	-0.5629889455	-0.415656
+C	 1.9827391207	-0.3001665866	-0.1374335195	-0.004786
+C	 1.5730754827	-0.1011323522	 1.3600254608	-0.073664
+C	 0.1942504602	 0.405493035	 0.8472892114	-0.283556
+C	 0.8246747227	 0.6682728923	-0.5506750119	-0.073671
+C	 0.0190098596	 0.2846176657	-1.7591654774	 0.153832
+O	-0.155100563	 0.9744385404	-2.730389273	-0.245812
+C	 1.5831183767	-1.3232751693	 2.2335285977	 0.153825
+O	 2.1941787184	-1.4401641543	 3.2642486537	-0.245812
+H	 4.118230279	-0.6676305451	-0.1060337091	 0.131382
+H	 3.5134353906	-0.0458933731	-1.6502735874	 0.131369
+H	 3.681305837	 1.0408561278	-0.2627596451	 0.125094
+H	 1.717969531	-1.3211146907	-0.4448546651	 0.083371
+H	 2.1578771659	 0.6900904241	 1.8354584308	 0.09567
+H	-0.5392506204	-0.4084885147	 0.806823954	 0.112743
+H	-0.2532647281	 1.2549704718	 1.364624505	 0.127592
+H	 1.1796350794	 1.695746845	-0.6618644909	 0.095668
+H	-0.4230450076	-0.7403146921	-1.696218417	 0.066206
+H	 0.9603305372	-2.1627596632	 1.8369623086	 0.066206
+19
+0 2700	2.2361821	1.0799701	0.8145131	3.962	78.78	-0.24816	-0.03615	0.21200999999999998	1431.7599	0.153861	-422.566464	-422.556504	-422.555559	-422.602332	34.486
+C	-2.1718338676	 3.9810254944	 1.9208437842	-0.418726
+C	-2.1298452565	 2.5333958465	 1.4905745498	-0.020173
+C	-0.9872012386	 1.9808189922	 0.7132794297	-0.03341
+C	-0.4052816956	 0.6076000255	 0.9916251568	-0.315585
+C	 0.2747142946	 0.0171887429	-0.2249760233	 0.164204
+O	 1.4058548974	-0.3939151174	-0.2508357203	-0.23857
+C	-2.3578525484	 2.1683809738	 0.0245638412	-0.129372
+C	-3.2179040245	 1.0088382749	-0.294798777	 0.133568
+O	-3.3652795733	 0.0340696102	 0.4104378868	-0.273555
+H	-1.6444040678	 4.1190802623	 2.8708228491	 0.130427
+H	-1.6954705571	 4.6297847527	 1.1786205636	 0.119816
+H	-3.2024447544	 4.3245370798	 2.056391671	 0.129003
+H	-2.6016158764	 1.8259494816	 2.1684830564	 0.11606
+H	-0.25639099	 2.7148721005	 0.3798937864	 0.10444
+H	 0.3237490489	 0.6570625791	 1.8062861533	 0.121701
+H	-1.2152294037	-0.0725233516	 1.2812415897	 0.159386
+H	-0.3662534381	-0.0145988826	-1.1369531581	 0.071351
+H	-2.4172516778	 2.9873027773	-0.6853982053	 0.094699
+H	-3.7549052112	 1.0846195379	-1.2655445939	 0.084734
+19
+0 2701	3.4525727	0.8909116	0.7453838	0.9627	77.16	-0.24743	-0.03467	0.21276	1480.6764	0.153811	-422.575553	-422.565778	-422.564834	-422.611536	34.124
+C	-2.4846007387	 2.3092524993	 1.5989170881	-0.413369
+C	-2.4445122418	 1.9085457726	 0.1301104075	-0.105085
+C	-1.1333697923	 2.070899197	-0.7190352058	-0.00495
+C	-0.3275471787	 0.818045848	-1.0771768315	-0.301361
+C	 0.3139011897	 0.179334643	 0.1360151831	 0.161246
+O	 1.4989285252	 0.035331793	 0.2899056441	-0.234709
+C	-1.9548157716	 2.7345003437	-1.8694203494	-0.3735
+C	-3.1269305325	 2.844232116	-0.8834059983	 0.395411
+O	-4.130172507	 3.4953459868	-0.8503462417	-0.293499
+H	-1.9286403774	 1.6047690275	 2.2252851513	 0.123736
+H	-2.0541545128	 3.305052383	 1.7453829183	 0.125801
+H	-3.5189063929	 2.3392786149	 1.9539683412	 0.141081
+H	-2.8531211172	 0.8967726663	-0.0039054038	 0.100227
+H	-0.4763393242	 2.8106075773	-0.2500827332	 0.09583
+H	-1.0027112553	 0.0776211847	-1.5311648548	 0.114063
+H	 0.4611892959	 1.0507582981	-1.7990673641	 0.126665
+H	-0.4068159008	-0.1578772862	 0.9174748348	 0.076215
+H	-1.5859823661	 3.6690195581	-2.298359339	 0.135154
+H	-2.1809299016	 2.0403110269	-2.6870695068	 0.131044
+19
+0 2702	2.5561702	1.2139931	1.0362906	2.3385	78.12	-0.24597	-0.02198	0.22399	1236.8736	0.155668	-422.586278	-422.576942	-422.575998	-422.621206	33.689
+C	 1.2436355196	 0.879665684	-0.0771853016	-0.493975
+C	-0.0930771782	 0.2118810001	 0.0041923134	 0.294521
+C	-0.374362152	-1.0377943498	 0.3788569211	-0.163772
+C	-1.8435811073	-1.3673729012	 0.3445151824	-0.285484
+C	-2.5056269686	-0.0291780869	-0.0488715119	-0.122808
+C	-3.3593137773	 0.5714205197	 1.0511699573	 0.144088
+O	-3.5623461007	 0.081105898	 2.1319216095	-0.239884
+C	-1.3427645929	 0.9538988414	-0.4258208653	 0.014601
+O	-1.3133708693	 1.3173950632	-1.803930712	-0.425949
+H	 1.3073583105	 1.7199429093	 0.6260792507	 0.130022
+H	 2.0581092594	 0.1864974931	 0.1485284159	 0.12333
+H	 1.4061853726	 1.2981365167	-1.0766900204	 0.134343
+H	 0.369345794	-1.7640665201	 0.6925218517	 0.094269
+H	-2.0667675333	-2.1723961959	-0.3665440046	 0.104129
+H	-2.21540331	-1.69654785	 1.3207309835	 0.139276
+H	-3.1586789345	-0.1074419896	-0.9264401432	 0.101249
+H	-3.8011738075	 1.5585563634	 0.7827550895	 0.085441
+H	-1.449122857	 1.9167991756	 0.0903055917	 0.088874
+H	-1.0913768175	 0.5230667292	-2.3038831878	 0.277729
+19
+0 2703	2.8030576	1.1957024	0.8874026	1.7615	76.72	-0.24573	-0.03022	0.21551	1285.5789	0.155472	-422.606791	-422.597567	-422.596623	-422.64156	33.069
+C	-0.1303482883	 2.4924548382	 0.4052066283	-0.410428
+C	-0.9479029772	 1.2564516606	 0.0400706265	-0.105766
+C	-2.01276736	 0.7919821899	 1.0582098987	-0.080684
+C	-2.2483048817	-0.6993568937	 0.6893722934	-0.251113
+C	-0.8590221237	-1.2248564627	 0.3010356872	-0.32624
+C	-0.0904816211	 0.001867383	-0.1978697696	 0.400118
+O	 1.0111725603	 0.0016622871	-0.6809256531	-0.312811
+C	-3.2807784536	 1.6044627887	 0.9687289461	 0.157826
+O	-3.7832997495	 2.223458027	 1.8692463946	-0.247615
+H	 0.3400232871	 2.372149565	 1.3864625956	 0.125614
+H	 0.6637956942	 2.6407675737	-0.3306908885	 0.143254
+H	-0.7538933611	 3.3901641062	 0.4376916596	 0.125692
+H	-1.4576729888	 1.4323676249	-0.9232595396	 0.105951
+H	-1.6241225081	 0.8780643089	 2.078658315	 0.097072
+H	-2.7097115174	-1.2528816424	 1.5095696495	 0.122336
+H	-2.9303982775	-0.7595387916	-0.1680686097	 0.111288
+H	-0.3193916039	-1.6148361183	 1.1729798615	 0.140699
+H	-0.8607092695	-2.0180407344	-0.4505734741	 0.135847
+H	-3.7431437999	 1.59026957	-0.0494864314	 0.068961
+19
+0 2704	2.4860472	1.6500316	1.3473089	2.8393	74.86	-0.24822	0.06992	0.31814	1035.2687	0.155854	-422.523498	-422.51489	-422.513946	-422.555875	33.778
+C	-2.1785191231	-0.9829580063	-0.8653812474	-0.510321
+C	-1.9417602001	-0.0611611115	 0.2940546894	 0.298285
+C	-2.4791671002	-0.3449995337	 1.7097161262	-0.120951
+C	-1.6449084241	 0.4538337856	 2.7152801811	-0.323722
+C	-1.5970471157	 1.5539197508	 1.6261575526	 0.357193
+O	-1.3508293833	 2.8808971703	 1.9127865803	-0.474801
+C	-2.8996848821	 0.8987065281	 0.9643873284	-0.228723
+C	-0.7868292796	 0.9232052003	 0.4652562233	 0.070914
+O	 0.53085588	 0.4734747454	 0.6603837503	-0.444901
+H	-1.403226196	-1.7554845174	-0.9218688994	 0.123423
+H	-3.1461237384	-1.4889327552	-0.7802921173	 0.117846
+H	-2.1702722359	-0.4355941018	-1.8145138094	 0.122821
+H	-3.0768815345	-1.2260298576	 1.9050247461	 0.087705
+H	-2.2585174237	 0.7664759223	 3.5675972847	 0.092846
+H	-0.6913046782	 0.0566891778	 3.0872004597	 0.082212
+H	-1.8492400756	 3.1263015226	 2.6994752894	 0.281881
+H	-3.8612719849	 1.2795758784	 0.6532588834	 0.093673
+H	-0.7496959256	 1.6275448096	-0.3716297533	 0.092595
+H	 0.510024311	-0.2516220974	 1.2931011019	 0.282025
+19
+0 2705	2.6445183	1.6506811	1.3590526	2.0634	74.66	-0.23115	0.08166	0.31281	1034.765	0.155444	-422.513397	-422.504828	-422.503884	-422.545869	33.221
+C	-0.6967687055	 1.2875102369	-2.8983022682	-0.516969
+C	 0.1538738776	 0.2245300674	-2.2723107986	 0.23692
+C	 1.3798748618	-0.4074578426	-2.9388775321	 0.039556
+O	 2.2624298123	-0.8821384107	-1.9130881561	-0.343377
+C	 1.0537672591	-1.3827335605	-1.234301713	 0.360896
+C	 1.2982407665	-2.5518176227	-0.3354818932	-0.5162
+C	 0.2316396953	-1.2808969444	-2.5687586262	-0.253948
+C	 0.4019662558	-0.0431384799	-0.782273042	 0.092248
+O	 1.1947996269	 0.8318349324	-0.0337848052	-0.450727
+H	-1.731323942	 1.2340129009	-2.5411496797	 0.122796
+H	-0.3105892629	 2.2835310186	-2.6557585305	 0.133998
+H	-0.7179171328	 1.1944614325	-3.9896247457	 0.118739
+H	 1.7947193042	-0.106581066	-3.89204631	 0.108943
+H	 1.9590045148	-2.2561105067	 0.4862353079	 0.139151
+H	 0.35572628	-2.9056235113	 0.0934582309	 0.125795
+H	 1.768531928	-3.3751223412	-0.8801225438	 0.132266
+H	-0.4072841911	-1.9596692181	-3.1156809813	 0.100735
+H	-0.5359314067	-0.2064715757	-0.2432992868	 0.085597
+H	 2.0729883286	 0.7755101812	-0.4369409765	 0.283582
+19
+0 2706	2.4767809	1.8225577	1.2676624	1.5913	74.85	-0.23748	0.07269	0.31017	1029.1967	0.15555	-422.513685	-422.504998	-422.504054	-422.546111	33.94
+C	-1.5161081987	-1.5053577571	-0.5541802932	-0.505028
+C	-1.879271412	-0.1713129513	 0.0357173588	 0.289585
+C	-3.1940187519	 0.0650558693	 0.833262668	-0.286362
+C	-3.0602062415	 1.5268326934	 0.4151851027	-0.135821
+C	-2.1664125353	 1.1786364739	-0.7622734299	-0.213746
+C	-1.5654694159	 1.8751807216	 0.4306648167	 0.345717
+O	-1.0986779154	 3.1734969496	 0.4417406704	-0.464876
+C	-0.8090894443	 0.6228243378	 0.8659705717	 0.045599
+O	 0.5031735965	 0.5471374652	 0.3577090854	-0.444814
+H	-1.4494059147	-2.2678811798	 0.2311341879	 0.1187
+H	-2.2624827265	-1.839340229	-1.2825467219	 0.113666
+H	-0.5415879038	-1.4567193426	-1.0495099414	 0.125446
+H	-4.0533043973	-0.416194696	 0.3551861838	 0.09877
+H	-3.1839947699	-0.1857036121	 1.9016612276	 0.085799
+H	-3.7929575414	 2.3236149871	 0.4570868927	 0.088642
+H	-2.2277031072	 1.4427143249	-1.8080114133	 0.096034
+H	-1.2162532652	 3.5345627674	 1.3279560424	 0.288176
+H	-0.7415547245	 0.37585099	 1.9330063089	 0.068126
+H	 0.5410506988	 1.0902397678	-0.4384147575	 0.286386
+19
+0 2707	2.4655471	1.8418771	1.2639403	1.3872	74.54	-0.2308	0.06703	0.29783000000000004	1024.1617	0.15571	-422.516484	-422.507998	-422.507054	-422.548618	33.786
+C	 0.7079733786	-0.3823731886	-0.7541420629	-0.427782
+C	 0.8465576746	 0.1377590292	 0.6713915446	-0.091176
+C	 1.6307582457	 1.4481857225	 0.7756008036	 0.418251
+O	 1.3552573435	 2.6395315066	 0.1373389291	-0.468127
+C	 2.3105345632	 1.4785107372	 2.1388045709	-0.11303
+C	 1.9550223397	 0.1787308082	 2.8600043727	-0.304332
+C	 2.0390022256	-0.4776677036	 1.4559423055	 0.390418
+O	 2.2560806459	-1.8303913703	 1.2699556369	-0.477209
+C	 2.9574056273	 0.7462622579	 0.9741962797	-0.276581
+H	 0.3530883046	-1.4163418027	-0.7593137754	 0.13019
+H	-0.0081853933	 0.222437055	-1.3216538033	 0.108031
+H	 1.6698615764	-0.3594460734	-1.2787552981	 0.11261
+H	-0.1195826468	 0.0979357856	 1.1916641159	 0.062325
+H	 1.4437552272	 2.4988185334	-0.8118505928	 0.287938
+H	 2.6256955682	 2.4213361907	 2.565603879	 0.094445
+H	 2.7783114098	-0.1458887925	 3.5070040602	 0.086347
+H	 1.0042589213	 0.0990337057	 3.3998722854	 0.093912
+H	 3.0064085066	-2.0972423669	 1.8114370198	 0.282413
+H	 3.9306422019	 0.8412944259	 0.5152008391	 0.091356
+19
+0 2708	2.520949	1.8111256	1.2638818	0.6749	74.27	-0.21489	0.07155	0.28644000000000003	1035.1247	0.154759	-422.501	-422.492327	-422.491383	-422.533439	33.794
+C	 1.3122112205	 1.149283999	-0.1267082911	-0.408228
+C	 1.089937802	-0.3507762482	 0.0082014896	-0.106862
+C	 1.8904899332	-1.1784525991	-1.0047988763	 0.344284
+O	 1.9733635541	-1.0017427175	-2.3691294282	-0.461468
+C	 2.1748241028	-2.5099317231	-0.2867390935	-0.002885
+O	 1.5352997166	-2.4645904748	 0.9854894221	-0.331282
+C	 1.989779247	-1.0692002026	 1.0658926456	 0.423652
+C	 2.1945626226	-0.5763484993	 2.4634395843	-0.511019
+C	 3.0700100006	-1.334838449	-0.0604191821	-0.254541
+H	 0.8638243923	 1.6960060711	 0.7091683253	 0.112234
+H	 2.3803857704	 1.3905510194	-0.161693805	 0.117626
+H	 0.8630842944	 1.523072779	-1.0523146137	 0.12178
+H	 0.0238193588	-0.5898058845	 0.1112532894	 0.064876
+H	 1.233316455	-1.4617196914	-2.7814997294	 0.289475
+H	 2.3340882216	-3.4596922565	-0.7813265092	 0.107338
+H	 2.9277819287	-1.1954711417	 2.9876670158	 0.132485
+H	 2.5464425603	 0.4594111236	 2.4625112076	 0.127337
+H	 1.2502275805	-0.6194547688	 3.0170878935	 0.132663
+H	 4.1343165987	-1.1706409058	-0.1533990648	 0.102535
+19
+0 2709	2.2267024	1.9455092	1.2420014	2.4709	75.52	-0.22623	0.06961	0.29584	1054.2544	0.154596	-422.481439	-422.472598	-422.471654	-422.514203	33.682
+C	-0.8515108379	 3.7450923313	-0.4747652106	-0.533746
+C	-0.8745044324	 2.7601213513	 0.6557846815	 0.295946
+C	-0.3896585032	 1.3051679858	 0.7096833142	-0.001769
+O	 1.0060131283	 1.1811589472	 0.5277396158	-0.441908
+C	-0.9099743195	 1.5102300192	 2.1502927631	 0.268565
+C	-0.9467082357	 0.5759585822	 3.3234269439	-0.536295
+C	-2.0521891642	 2.4470516261	 1.6371203985	-0.012393
+O	-1.7373640503	 3.5365444374	 2.5560014593	-0.33439
+C	-0.4413188881	 3.0059921467	 2.1421282092	 0.003997
+H	-1.4502723911	 3.3934121525	-1.3220775899	 0.118512
+H	-1.2572616658	 4.7066172422	-0.1440438018	 0.134063
+H	 0.1713991178	 3.9048171425	-0.8302111064	 0.133789
+H	-0.944476452	 0.5849473229	 0.0901222192	 0.059309
+H	 1.2525645988	 0.2631881052	 0.6761534654	 0.285268
+H	-1.5619976316	-0.306557328	 3.1151713729	 0.118472
+H	 0.0599709439	 0.230271042	 3.5839722266	 0.11986
+H	-1.366228687	 1.0853810727	 4.197106268	 0.139351
+H	-3.0987924498	 2.2266261562	 1.4253369359	 0.087241
+H	 0.4631289897	 3.4610160248	 2.5423857952	 0.096129
+19
+0 2710	2.1818491	1.9816729	1.2525439	2.602	75.38	-0.24691	0.06276	0.30967	1040.0135	0.155355	-422.497738	-422.489005	-422.488061	-422.530298	33.778
+C	-1.038780635	-1.3860916689	 2.4473211142	-0.524822
+C	-1.1175555079	 0.0431035493	 1.9942903123	 0.322441
+C	-0.6900055039	 0.6390652765	 0.6291307893	 0.051388
+O	 0.6522009043	 0.5649965225	 0.2224657999	-0.447983
+C	-1.2017080737	 1.8473831991	 1.412794728	 0.356261
+O	-1.2296035018	 3.1364140891	 0.9286079822	-0.469082
+C	-2.3588405543	 1.004786132	 2.073686616	-0.150009
+C	-1.9847791302	 1.4770288981	 3.4935840203	-0.291325
+C	-0.623111503	 1.3163740176	 2.7882076899	-0.186708
+H	-1.3754131606	-1.5030128253	 3.4830903247	 0.120269
+H	-1.6597375063	-2.0321243258	 1.8170363736	 0.123432
+H	-0.0088467802	-1.7534920154	 2.3835864567	 0.126928
+H	-1.2911692038	 0.3328819938	-0.2336724194	 0.082396
+H	 1.2000911409	 0.9693089803	 0.9041095183	 0.283063
+H	-1.5900273487	 3.7199758157	 1.6062578092	 0.286533
+H	-3.3413142119	 0.810505867	 1.6406202167	 0.071905
+H	-2.2842201433	 2.4923225639	 3.7783111891	 0.081109
+H	-2.1985010425	 0.787104362	 4.3155258293	 0.098342
+H	 0.3766525418	 1.4804354588	 3.1963445895	 0.065864
+19
+0 2711	2.1710968	1.9782028	1.2402507	2.9069	75.06	-0.22513	0.0705	0.29563	1053.6082	0.154409	-422.478925	-422.470072	-422.469128	-422.511708	33.78
+C	 0.8762246569	-1.6718424382	 3.0302595244	-0.415987
+C	 2.1241727051	-1.2792643255	 2.253209941	-0.145841
+C	 1.97867993	-0.782037238	 0.7912262208	 0.31522
+C	 1.2943923271	 0.4367730172	 0.2473565435	-0.526642
+C	 1.8755438623	-2.2432270738	 0.2214381774	-0.014943
+O	 2.9127758771	-2.0410206969	-0.7819239443	-0.330176
+C	 3.3930864848	-1.3111174594	 0.383899049	-0.04714
+C	 2.8561967044	-2.3633704349	 1.4229785963	 0.363346
+O	 3.4168889934	-3.5486531527	 1.8381959989	-0.463263
+H	 1.1342264512	-2.2645397492	 3.9143709501	 0.120039
+H	 0.3262071326	-0.7890791548	 3.373555881	 0.117245
+H	 0.1946883325	-2.2733173018	 2.4190439052	 0.117784
+H	 2.7919547587	-0.6576499003	 2.8648393832	 0.059478
+H	 1.743276812	 1.354886205	 0.6417951024	 0.120311
+H	 1.3795985983	 0.4555496347	-0.8440708724	 0.137879
+H	 0.2304283536	 0.4472427798	 0.5073290324	 0.122792
+H	 1.0043245321	-2.8410324308	-0.0432101698	 0.095066
+H	 4.3462682906	-0.7845636478	 0.3245317536	 0.087528
+H	 4.1174648972	-3.3556804825	 2.4709445973	 0.287306
+19
+0 2712	2.152416	2.0213962	1.2600206	2.1646	75.26	-0.23183	0.05275	0.28458	1035.8918	0.15518	-422.494674	-422.485969	-422.485024	-422.527154	33.897
+C	 1.2257365085	-1.0792575951	-1.0511612581	-0.427906
+C	 1.5940187407	 0.0437365765	-0.0945517136	-0.090785
+C	 1.7276944691	-0.2469887449	 1.4088969981	 0.426396
+O	 2.6821709265	-1.090370438	 1.9334571656	-0.477796
+C	 0.1693405721	-0.2404595633	 1.6712450684	-0.198273
+C	 0.3079527599	 0.7734640949	 2.827848039	-0.308131
+C	 1.385538666	 1.234848343	 1.82426143	-0.186116
+C	 0.4849100421	 0.8629166877	 0.5848550847	 0.426353
+O	-0.3981195725	 1.6606799458	-0.1089050949	-0.477782
+H	 0.4111517485	-1.6955294716	-0.6573097001	 0.113883
+H	 0.9036431173	-0.6763748807	-2.0166080711	 0.122604
+H	 2.0845675777	-1.7341014437	-1.2293523894	 0.122659
+H	 2.4094372168	 0.6597732414	-0.4945846906	 0.068315
+H	 2.5711899313	-1.1332600221	 2.8900979387	 0.287059
+H	-0.5162200965	-1.0821731046	 1.5714567583	 0.073866
+H	-0.536042708	 1.4509756269	 2.9995999886	 0.083638
+H	 0.6574752843	 0.385007625	 3.7910665933	 0.083641
+H	 2.0899086013	 2.0660517306	 1.8815342451	 0.071316
+H	-1.0112083848	 2.0661003022	 0.5148577881	 0.287058
+19
+0 2713	2.2892022	1.6003444	1.4101752	1.6003	74.95	-0.216	0.06429	0.28029	1045.3948	0.154161	-422.479638	-422.47054	-422.469596	-422.512629	34.583
+C	 2.0707529796	-0.3318574444	-2.9976056787	-0.503605
+C	 0.7845197704	-0.4695719096	-2.2389737738	 0.225372
+C	-0.3593809183	-1.4467222583	-2.6636802575	-0.039788
+O	-1.2638131401	-1.6730506745	-1.5694840932	-0.247649
+C	-1.3788832623	-0.4581263232	-2.3314908145	-0.041176
+C	-0.2941895341	 0.5691999276	-1.8807190986	 0.202216
+C	-0.3678904088	 2.0392406315	-2.1636564823	-0.509344
+C	 0.5920319554	-0.0501990459	-0.805949074	-0.003072
+O	 1.6335157365	 0.758978243	-0.331458364	-0.435987
+H	 2.6662405446	 0.4897175503	-2.593776233	 0.143752
+H	 2.6693706469	-1.248158915	-2.9213540134	 0.120643
+H	 1.8937324539	-0.1395951826	-4.0622430212	 0.11295
+H	-0.3086992165	-2.205542438	-3.4364600674	 0.105369
+H	-2.3438464521	-0.2362864836	-2.7737620725	 0.104756
+H	-1.2068462004	 2.5049393479	-1.6302270529	 0.115928
+H	 0.5532956843	 2.5331170592	-1.8426140346	 0.130888
+H	-0.504819575	 2.2453137432	-3.2316800535	 0.11877
+H	 0.1775146306	-0.7409046181	-0.0774541791	 0.109413
+H	 1.2846485656	 1.2946440204	 0.3885582942	 0.290564
+19
+0 2714	2.3675525	1.620552	1.3681943	2.2143	74.92	-0.1908	0.05569	0.24649	1044.6901	0.154994	-422.482575	-422.473726	-422.472782	-422.515172	34.615
+C	-1.7062855741	-1.3807921751	-0.5962746412	-0.512817
+C	-1.9989828269	-0.2114771607	 0.2945670542	 0.212019
+C	-3.3051749583	-0.1193405289	 1.1439914469	-0.108513
+C	-3.2929903921	 0.8750635341	 2.2799346945	-0.31155
+C	-3.4165907762	 1.369475163	 0.8632502903	-0.106981
+C	-2.1050611353	 1.3010425588	 0.0565090214	 0.384556
+O	-1.9501014853	 2.0925929887	-1.0582025304	-0.470721
+C	-0.9267020782	 0.7489589723	 0.8084856217	-0.084645
+O	 0.2167007356	 0.8514629821	-0.0097450152	-0.446233
+H	-1.4946382628	-2.2898095356	-0.017149976	 0.114869
+H	-2.5564753385	-1.6010392428	-1.2518662555	 0.127195
+H	-0.8447777956	-1.1776484859	-1.2393323134	 0.115136
+H	-4.0835927003	-0.8668781557	 1.0515862913	 0.09049
+H	-4.2224169143	 0.9103911608	 2.8421773721	 0.112003
+H	-2.420705834	 1.0646418149	 2.8943204992	 0.116125
+H	-4.2729253237	 1.9217081464	 0.4994032449	 0.0994
+H	-1.0152844145	 2.0339031903	-1.3003339978	 0.294445
+H	-0.7096981511	 0.9141636394	 1.8635642263	 0.079655
+H	 0.7342024356	 0.0437693239	 0.0723037868	 0.295568
+19
+0 2715	2.2748237	1.5946857	1.4000377	2.608	74.8	-0.21602	0.05729	0.27331	1053.8407	0.154234	-422.478012	-422.468961	-422.468017	-422.510983	34.529
+C	-0.109957772	 0.1325567142	 0.0478095431	-0.428402
+C	 1.3941625207	-0.0123228994	-0.0533072559	-0.090752
+C	 2.1941070021	-0.2226796193	 1.2308710033	 0.183113
+C	 1.6387360102	-0.6270737624	 2.5649469582	-0.505925
+C	 3.7160286038	-0.3931398984	 0.8843825905	-0.030055
+O	 3.9340097394	-0.3395349976	-0.5361269379	-0.236445
+C	 3.7580805669	 0.886916429	 0.1887956327	-0.063
+C	 2.2333905372	 1.1133979564	 0.4825142972	 0.285675
+O	 1.6843808141	 2.3490024257	 0.7653418736	-0.45101
+H	-0.4088986568	 0.7622290937	 0.8890950485	 0.12338
+H	-0.5027023862	 0.6007267028	-0.8603200767	 0.12472
+H	-0.591703545	-0.8449573742	 0.1561603605	 0.115011
+H	 1.7417759203	-0.5217930625	-0.9456916368	 0.108561
+H	 1.593560851	-1.7193024206	 2.6600533404	 0.125818
+H	 2.2585449519	-0.2546432535	 3.3900679738	 0.112389
+H	 0.6263911113	-0.2426797804	 2.7142927082	 0.128997
+H	 4.456453513	-0.9117131889	 1.4834637206	 0.103898
+H	 4.5273562353	 1.6467032198	 0.1006934081	 0.105324
+H	 2.0619273827	 2.6759410255	 1.5894701887	 0.288702
+19
+0 2716	2.3661248	1.5877082	1.3753851	1.4325	75.02	-0.20188	0.05982	0.2617	1052.1714	0.154625	-422.480992	-422.471902	-422.470958	-422.513978	34.966
+C	 0.0124675372	 0.0075403885	-0.1157029051	-0.418206
+C	 1.5263321491	 0.0457892607	-0.0275544915	-0.151815
+C	 2.1107431553	-0.0675515273	 1.3752616069	 0.282178
+O	 1.371033812	-0.4620366351	 2.4746054897	-0.45713
+C	 3.6718241	-0.0538573731	 1.4135594312	-0.116954
+C	 4.3450394679	 0.0669999875	 0.0709328645	-0.309211
+C	 3.6782452602	 1.2751026669	 0.6785231526	-0.12325
+C	 2.117232254	 1.2629656056	 0.643687948	 0.328725
+O	 1.3678399633	 2.4160704734	 0.7653730723	-0.454369
+H	-0.4512841301	 0.4573520614	 0.76356596	 0.135199
+H	-0.3344216644	 0.5552373921	-0.9971843476	 0.123126
+H	-0.3438685391	-1.0251330356	-0.2012422317	 0.10371
+H	 2.0197715006	-0.4137584964	-0.8802861401	 0.073648
+H	 1.1657571635	-1.40047145	 2.3869215581	 0.286603
+H	 4.2068933271	-0.3084318684	 2.3201771376	 0.09125
+H	 5.431085072	 0.0892083791	 0.1159456748	 0.110755
+H	 3.9692122937	-0.4236148723	-0.8194682025	 0.11812
+H	 4.2287414284	 2.1728230504	 0.9342148871	 0.086735
+H	 1.5139156895	 2.7813099529	 1.6453592458	 0.290886
+19
+0 2717	2.3431711	1.4946721	1.2013952	4.0026	77.34	-0.23624	-0.00615	0.23009000000000002	1119.6889	0.154149	-422.555181	-422.54547	-422.544526	-422.589316	35.462
+C	-3.1472550758	 0.2191960838	 1.2396151518	-0.50552
+C	-2.0325317063	 0.016904557	 0.2574600581	 0.241668
+C	-0.9907604753	 1.0756765497	-0.1385485033	-0.427771
+C	 0.0741215214	-0.0482819056	-0.0780454113	 0.375605
+O	 1.2744299947	-0.0325731914	-0.0647319092	-0.323069
+C	-0.9293006322	-1.1141991023	 0.2244126006	 0.146822
+C	-0.6786895709	-2.3543643831	 1.0320573658	-0.504824
+C	-2.046379656	-1.0214838907	-0.816806389	 0.003729
+O	-2.959744936	-2.0737286204	-0.7026450053	-0.424348
+H	-3.6783355342	-0.7185843717	 1.4224949863	 0.132444
+H	-2.7726135948	 0.5921529527	 2.19866029	 0.128236
+H	-3.8717980231	 0.9526210045	 0.8638225114	 0.122676
+H	-1.1371445705	 1.5871544475	-1.0962282147	 0.113422
+H	-0.7983983172	 1.8215869593	 0.6391086838	 0.130727
+H	-1.5879814219	-2.9500721904	 1.1281970794	 0.141701
+H	 0.0821233864	-2.9714087565	 0.5419741159	 0.138789
+H	-0.3075536973	-2.1068692938	 2.0314562608	 0.124986
+H	-1.8087610319	-0.7496806391	-1.8485146056	 0.09006
+H	-3.8151445589	-1.7604104496	-1.0151233854	 0.294667
+19
+0 2718	2.3673718	1.520673	1.2015323	2.9101	78.17	-0.23141	-0.00368	0.22773000000000002	1117.8361	0.154611	-422.55633	-422.546778	-422.545834	-422.590292	35.159
+C	-3.1989431568	-1.9750724715	-1.5252560484	-0.42417
+C	-2.1296130876	-0.9240306426	-1.2913067319	-0.115785
+C	-2.2694128993	 0.0657313071	-0.1707093386	 0.229552
+C	-3.4974233309	 0.3019833382	 0.6560872399	-0.49324
+C	-1.1010436381	 1.05769023	-0.2718371431	-0.40862
+C	-0.1692275867	-0.1356318614	 0.0557086739	 0.329117
+O	 0.8907668659	-0.2045362943	 0.6289312536	-0.349703
+C	-1.2203052488	-1.159745346	-0.1075047742	 0.277857
+O	-1.2203210049	-2.3687710708	 0.5328761602	-0.45327
+H	-3.5807344226	-2.3897740151	-0.5906474984	 0.136992
+H	-4.0368866008	-1.5505978415	-2.0870662486	 0.120785
+H	-2.788728374	-2.8065836717	-2.1056352485	 0.132648
+H	-1.6755485241	-0.5645933027	-2.2160702477	 0.086492
+H	-3.2360061253	 0.7090889328	 1.6388813203	 0.126707
+H	-4.1648382329	 1.0241941163	 0.1692812826	 0.129787
+H	-4.0647887867	-0.6186549892	 0.8138071918	 0.133004
+H	-0.9661105572	 1.5484875719	-1.2409449564	 0.113306
+H	-1.0618599443	 1.8055111545	 0.5250581481	 0.125065
+H	-0.6107189248	-2.2896731839	 1.2785745055	 0.303474
+19
+0 2719	1.8694296	1.5610414	1.4905123	4.3617	76.32	-0.2617	0.00808	0.26977999999999996	1098.1686	0.154593	-422.572201	-422.562641	-422.561697	-422.606081	34.733
+C	-1.1353010243	-0.3285739472	 2.5625907447	-0.429115
+C	-1.8011282093	-0.7750585562	 1.2800742225	-0.110209
+C	-2.1384638199	 0.1114399813	 0.1303853277	 0.40714
+C	-3.4553191108	 0.3977737612	-0.5074163921	-0.489525
+O	-1.119631263	 1.1604390286	 0.0357754672	-0.301736
+C	-0.1565001812	 0.203708288	-0.260122724	 0.426995
+O	 0.9688443067	 0.3948977398	-0.5928779732	-0.33282
+C	-1.0858993707	-0.9674897602	-0.0796748507	 0.018254
+C	-1.0403387929	-2.2543550063	-0.8498859812	-0.497287
+H	-0.5462808854	-1.1410143455	 2.9993737886	 0.125963
+H	-0.4749206935	 0.5243902963	 2.3934482108	 0.148666
+H	-1.889021329	-0.0281324528	 3.2981826721	 0.123565
+H	-2.5382899179	-1.5677107857	 1.4131072324	 0.096985
+H	-3.9805899186	 1.1956784024	 0.0283132986	 0.142116
+H	-3.3249595827	 0.7129505775	-1.5469076641	 0.139885
+H	-4.0868219066	-0.4950930095	-0.4870621413	 0.130374
+H	-1.9731517935	-2.8144619476	-0.7313372188	 0.122967
+H	-0.8842303826	-2.0752135581	-1.9182264481	 0.1363
+H	-0.223202095	-2.8920855659	-0.4967555613	 0.141483
+19
+0 2720	2.3598562	1.4762732	1.2071768	3.8144	77.17	-0.23526	-0.00504	0.23022	1122.0376	0.154138	-422.554061	-422.54427	-422.543326	-422.588491	35.507
+C	-3.1971273857	-2.0728298971	-1.1974743191	-0.435955
+C	-2.1433064685	-0.9911268615	-1.0783090395	-0.121452
+C	-2.2039043217	-0.0441723924	 0.0761160952	 0.341308
+O	-3.2502802141	-0.0025317273	 0.9760047025	-0.456505
+C	-1.1780345495	 1.0834946142	-0.1140072	-0.431786
+C	-0.0942471192	-0.0292498431	-0.1196539819	 0.383414
+O	 1.1049291506	 0.0009879712	-0.0980068082	-0.320095
+C	-1.0963427913	-1.1316269924	 0.0554821975	 0.133684
+C	-0.8587718921	-2.3981447968	 0.8270482807	-0.500579
+H	-3.6429864868	-2.3114290938	-0.2293451718	 0.136505
+H	-4.0028759073	-1.7378975612	-1.8597766461	 0.120027
+H	-2.7820321312	-2.9915634534	-1.6234638111	 0.128776
+H	-1.797096381	-0.6077938487	-2.0375970687	 0.088217
+H	-4.015111026	 0.3922373415	 0.5414422049	 0.291587
+H	-1.2710858316	 1.7230735804	-0.9977053124	 0.110483
+H	-1.063613153	 1.7039666361	 0.7801594596	 0.134056
+H	-0.2126479763	-3.0795800353	 0.263069182	 0.134668
+H	-0.3607622929	-2.182931031	 1.7772484907	 0.13444
+H	-1.7914983025	-2.9222300795	 1.0468108056	 0.129208
+19
+0 2721	2.1255644	1.5261023	1.4356389	2.2168	76.3	-0.23735	0.00399	0.24134	1081.0669	0.154641	-422.545431	-422.535885	-422.534941	-422.579243	35.057
+C	-1.2629245503	 2.4669539149	-0.1066854974	-0.516828
+C	-1.2562689789	 0.9671646965	-0.1410519508	 0.139191
+C	-1.5409025419	-0.0088925965	-1.3370597075	-0.31154
+C	-1.2536206737	-1.0141534918	-0.1661375854	 0.13918
+C	-1.2562705676	-2.5143433865	-0.1697982669	-0.516818
+C	-2.1348439417	-0.0354337997	 0.6967981542	 0.115501
+O	-2.0774315379	-0.0529884548	 2.0915568189	-0.451496
+C	-0.1307694561	-0.0264449595	 0.1980925111	 0.348276
+O	 0.9940986428	-0.0300904201	 0.6050125126	-0.339063
+H	-1.111005036	 2.8252417078	 0.916685465	 0.134262
+H	-0.4624494829	 2.8803768438	-0.7283532447	 0.132587
+H	-2.2154360793	 2.870014076	-0.4655464304	 0.125658
+H	-2.5757523719	-0.0057889988	-1.6906497158	 0.10485
+H	-0.8304770151	 0.0025212712	-2.1644943297	 0.114945
+H	-1.1023399194	-2.8980707988	 0.8440037542	 0.134262
+H	-2.2080854283	-2.9107107793	-0.5378469792	 0.12566
+H	-0.4553530189	-2.909729453	-0.8025300256	 0.13258
+H	-3.1920828143	-0.0333512568	 0.4198141979	 0.094959
+H	-1.1560947787	-0.0553979045	 2.3788745394	 0.293833
+19
+0 2722	2.0777904	1.5557357	1.4291109	1.7838	76.02	-0.23496	0.00981	0.24477	1076.3492	0.154358	-422.543628	-422.533955	-422.533011	-422.577643	35.223
+C	-1.0261992551	 0.0463999913	 2.5146662566	-0.448869
+C	-1.5491958699	 0.0021509486	 1.0897765193	-0.053016
+C	-0.9456509276	 0.9470974496	-0.0249159275	 0.175067
+C	-0.9631653928	 2.4462750957	-0.0801793739	-0.514398
+C	-1.5412869055	-0.0710385251	-1.0624058941	-0.334804
+C	-0.9255207038	-0.9972691504	 0.0528068119	 0.278691
+O	-0.9390628286	-2.3667109443	 0.1370106035	-0.469312
+C	 0.2505182094	-0.0190631729	 0.0044828891	 0.342017
+O	 1.445860764	-0.028331414	-0.0185252867	-0.349776
+H	-1.3502122944	-0.8412402109	 3.0676060403	 0.131643
+H	 0.0678951611	 0.0800521135	 2.5494015436	 0.133897
+H	-1.4065243068	 0.9253122901	 3.0458644581	 0.121209
+H	-2.6437501505	-0.009869073	 1.0532466806	 0.078555
+H	-0.4705733842	 2.874850942	 0.7986823551	 0.132696
+H	-0.4341191204	 2.8100216546	-0.9668135826	 0.13356
+H	-1.9869254792	 2.8325397031	-0.1157425152	 0.125133
+H	-2.6329056017	-0.0864997298	-1.1028276856	 0.108595
+H	-1.0904411557	-0.0990482764	-2.0564954002	 0.107547
+H	-0.0508145482	-2.6882875116	-0.0562674424	 0.301566
+19
+0 2723	1.9828158	1.5875946	1.423167	2.8766	76.75	-0.24238	-0.00084	0.24154	1097.55	0.153245	-422.526243	-422.516488	-422.515543	-422.560252	35.416
+C	-2.1014285543	-0.0172376483	-2.3312449511	-0.446885
+C	-2.1345532062	-0.0140201034	-0.8126395031	-0.055418
+C	-1.231523228	 0.9467376523	 0.0158466448	 0.275049
+C	-1.3331402181	 2.4145324825	 0.2657165312	-0.523692
+O	-1.385416333	 0.0054498664	 1.1700912271	-0.373251
+C	-1.195294727	-0.9350809253	 0.0206404857	 0.275047
+C	-1.2403621492	-2.4044076726	 0.2779938793	-0.523691
+C	-0.0278863074	 0.0277618474	-0.3310548467	 0.381668
+O	 1.13875427	 0.0496392302	-0.5592202938	-0.326849
+H	-2.5927331363	-0.9106447566	-2.7301067841	 0.127526
+H	-2.6264323025	 0.8547387108	-2.734578058	 0.127527
+H	-1.0762701674	 0.0013578207	-2.7163302777	 0.134583
+H	-3.1453051213	-0.0324111109	-0.3932173158	 0.086713
+H	-0.5664387398	 2.7358308462	 0.976407091	 0.146906
+H	-1.1830496584	 2.962014265	-0.6700411013	 0.137431
+H	-2.316435568	 2.6773538381	 0.6670963151	 0.1365
+H	-0.4619299849	-2.6923305236	 0.9902359195	 0.146906
+H	-2.2128507618	-2.7028355231	 0.680805523	 0.1365
+H	-1.0692189965	-2.9504660257	-0.6549777152	 0.137431
+19
+0 2724	2.4748406	1.7798701	1.3048296	1.7531	75.54	-0.22807	0.00711	0.23518	1023.7591	0.155585	-422.54097	-422.532278	-422.531334	-422.573319	34.384
+C	-2.1942392317	 1.9231509874	-1.6794380199	-0.514575
+C	-2.704071117	 0.778424551	-0.8391801394	 0.269179
+C	-2.8118332707	-0.6924902381	-1.3876462149	-0.29007
+C	-2.8794129035	-1.0123373062	 0.1306902779	 0.313984
+O	-2.5922298093	-2.3080202347	 0.5615831827	-0.494059
+C	-4.1616307202	-0.2817497874	 0.5375760713	-0.184332
+C	-4.0405880909	 0.8906703827	-0.0942552444	-0.123187
+C	-1.8444049266	 0.1560333735	 0.3363477251	 0.088384
+O	-0.5206700027	-0.1645817986	-0.0050429793	-0.459333
+H	-2.1574593332	 2.8534869292	-1.1014527815	 0.115397
+H	-1.1833019998	 1.7118899214	-2.0398398328	 0.133594
+H	-2.837514121	 2.0946114209	-2.5496228541	 0.116062
+H	-3.6888885097	-0.9433097496	-1.9873793983	 0.092189
+H	-1.8874168537	-1.0342566273	-1.8568070974	 0.104846
+H	-2.7737221143	-2.3656364874	 1.5063542519	 0.283107
+H	-4.9294092744	-0.6500660193	 1.2047206977	 0.101647
+H	-4.6886904049	 1.7567581613	-0.0795738226	 0.102901
+H	-1.8929436149	 0.6933888374	 1.2934643074	 0.055244
+H	-0.3912362214	-1.0971794563	 0.2077324104	 0.289022
+19
+0 2725	2.4463732	1.8474035	1.3475616	1.1883	75.88	-0.2428	0.00104	0.24384	1019.283	0.15523	-422.538735	-422.530156	-422.529212	-422.571037	33.889
+C	-1.3794620762	 2.2744687713	-0.9833148384	-0.514881
+C	-0.7052717039	 1.0267962711	-1.4731345657	 0.317079
+O	 0.358301104	 1.2384628249	-2.4789902435	-0.38171
+C	 0.7469772686	-0.1471253894	-2.1373734728	 0.316953
+C	 2.1202098222	-0.5544952781	-2.5839388967	-0.514885
+C	-0.5045378816	-0.9301043234	-2.5270058544	-0.130107
+C	-1.4839212592	-0.1386426564	-2.0786121145	-0.130261
+C	 0.3868924236	 0.2361214637	-0.6448438851	 0.123081
+O	 1.3245984389	 1.0257935572	 0.0098778274	-0.448454
+H	-2.2057554461	 2.0224311327	-0.3112092821	 0.124944
+H	-0.6741514375	 2.90516609	-0.4346814646	 0.125727
+H	-1.7809072786	 2.8490045941	-1.8235847475	 0.13529
+H	 2.2924036418	-1.6137458825	-2.3686561851	 0.124944
+H	 2.2359136379	-0.3978157284	-3.6606776346	 0.135286
+H	 2.8850483112	 0.0279822108	-2.0624187798	 0.12573
+H	-0.5400616601	-1.9049550406	-2.9921594118	 0.110288
+H	-2.5558524125	-0.2759141175	-2.0693243658	 0.110289
+H	 0.0601595919	-0.5529420004	 0.0353953574	 0.085502
+H	 1.5816272955	 1.7056799408	-0.6297622825	 0.285183
+19
+0 2726	2.3951101	1.7914089	1.2916976	2.3086	75.47	-0.23043	0.00969	0.24012	1027.7576	0.155147	-422.536284	-422.527447	-422.526503	-422.56881	34.815
+C	 2.2673282745	 1.4458465725	-0.3321121648	-0.433554
+C	 1.5993472032	 0.0986397003	-0.101199286	-0.015366
+C	 1.9683467243	-1.0998534434	-1.0521051009	 0.369932
+O	 1.9939892542	-0.8698295839	-2.4233664548	-0.48986
+C	 3.2594185395	-1.3055868801	-0.1780395725	-0.364937
+C	 2.2372985639	-0.8910681518	 0.94295804	 0.369979
+O	 2.6149892434	-0.3876722893	 2.1830604055	-0.489864
+C	 1.2413928772	-2.0608602884	 0.8503926829	-0.168522
+C	 1.0639444979	-2.1986219179	-0.4659223005	-0.168497
+H	 2.082831248	 2.1031053221	 0.5235111341	 0.125503
+H	 3.3483279383	 1.3814300547	-0.4731642622	 0.11815
+H	 1.8443522121	 1.9221516103	-1.2222394946	 0.125435
+H	 0.5221700128	 0.2331182551	 0.0299790577	 0.071436
+H	 2.3274929779	-1.6608742582	-2.8598236998	 0.279827
+H	 3.6747551639	-2.3154871693	-0.1283558494	 0.082211
+H	 4.0387072001	-0.5637907059	-0.3606947297	 0.103643
+H	 3.0724816369	-1.0823064857	 2.6685026344	 0.27983
+H	 0.7921833211	-2.5802674482	 1.6865472095	 0.102327
+H	 0.425792491	-2.8647222229	-1.0314298389	 0.102329
+19
+0 2727	2.863283	1.2638716	1.0490063	3.3976	77.88	-0.24125	-0.02733	0.21392	1193.0181	0.154984	-422.527176	-422.51803	-422.517086	-422.56099	33.892
+C	 3.4566608387	-2.9550310071	 4.9473753738	-0.510487
+C	 2.9731332801	-2.9670223206	 3.5229162422	 0.266504
+C	 2.7860269666	-1.7502054348	 2.562906029	-0.292757
+C	 2.3479318537	-2.9723062622	 1.7213045054	 0.210938
+C	 1.5934719399	-3.4860254376	 2.9888237754	-0.342615
+C	 1.88519454	-2.9917518648	 0.3103610148	 0.026876
+O	 1.9028957461	-2.0350922709	-0.4262009761	-0.251108
+C	 3.6353196438	-3.6908499898	 2.3069861073	 0.113341
+O	 3.7975696222	-5.074468118	 2.2762126437	-0.442721
+H	 3.5516708357	-3.9740503476	 5.338544979	 0.120504
+H	 4.4389036636	-2.4762686458	 5.0217996725	 0.126966
+H	 2.7650876163	-2.4078957916	 5.5967749939	 0.124315
+H	 1.9905525177	-1.0505081903	 2.8261383672	 0.104286
+H	 3.6908534006	-1.2282404	 2.2416915846	 0.103853
+H	 0.7126824952	-2.9093066658	 3.2831788261	 0.107433
+H	 1.3758200608	-4.5567589994	 3.0598717086	 0.081691
+H	 1.5244974819	-3.9840529085	-0.0468819511	 0.070752
+H	 4.5787391187	-3.2661618298	 1.9537056452	 0.095554
+H	 3.0507088685	-5.4999934157	 2.7098211586	 0.286677
+19
+0 2728	2.9165523	1.3226956	1.0977891	2.6932	77.28	-0.24703	-0.03895	0.20808	1165.3499	0.153598	-422.512548	-422.503177	-422.502233	-422.546805	34.215
+C	-0.2327672456	 0.0072891701	 0.2443118567	-0.440614
+C	 1.2590600851	 0.0007780634	-0.0224490717	-0.036035
+C	 2.2431370678	-0.3711420383	 1.1347756269	 0.387164
+C	 2.2978822912	-1.5973012239	 1.9892622749	-0.51383
+C	 3.3800523879	 0.3644742739	 0.3783775025	-0.294187
+C	 2.1014652864	 1.2495681937	 0.3722729612	 0.306677
+O	 1.9115868124	 0.9283359269	 1.8012820944	-0.375116
+C	 1.9675817473	 2.6756514516	-0.0490021267	 0.03482
+O	 1.8225894445	 3.0178323852	-1.1952272976	-0.252365
+H	-0.4440550279	 0.4352443238	 1.2266678757	 0.135949
+H	-0.7599584696	 0.5936620212	-0.5150466353	 0.129284
+H	-0.636194245	-1.0105073986	 0.2119023424	 0.116832
+H	 1.5143494042	-0.4277418462	-0.9960580122	 0.0803
+H	 3.0338965874	-1.474952662	 2.789373824	 0.137427
+H	 1.3218820354	-1.7947357894	 2.4427793487	 0.138048
+H	 2.5812847765	-2.4654733216	 1.385920993	 0.130142
+H	 4.1867376732	 0.7387922985	 1.0094745647	 0.111643
+H	 3.7232412502	-0.041761829	-0.5754392777	 0.107956
+H	 2.0234002586	 3.4046353306	 0.7896131562	 0.095903
+19
+0 2729	2.8135676	1.2800682	1.074103	2.2373	77.57	-0.24933	-0.02733	0.222	1171.6466	0.155169	-422.528069	-422.518956	-422.518012	-422.561903	33.818
+C	 0.0960614626	 0.2323118517	-0.9099126083	-0.446495
+C	 1.5827355436	 0.1821628616	-0.6006780306	-0.032247
+C	 2.1734931398	-0.8123250073	 0.4356752018	 0.388624
+O	 2.0858234632	-2.180006735	 0.2766623059	-0.470064
+C	 3.4558980278	 0.0811091014	 0.4626722968	-0.337477
+C	 2.2268466652	 1.0467016544	 0.5576368213	 0.243392
+C	 1.6092467053	 0.07204294	 1.5937875007	-0.346871
+C	 2.2908894673	 2.5275841435	 0.6214020416	 0.033986
+O	 1.8307319082	 3.1980615602	 1.5127500774	-0.25048
+H	-0.5347785773	 0.2437093801	-0.0185876999	 0.126759
+H	-0.1452346141	 1.1226665816	-1.4997047434	 0.122405
+H	-0.1855284992	-0.6431810258	-1.5043244765	 0.133317
+H	 2.1634118145	 0.2206500169	-1.5291647792	 0.074035
+H	 2.404344706	-2.6075815453	 1.079000065	 0.285617
+H	 4.0819760897	 0.0284106137	 1.35706481	 0.098087
+H	 4.0468292768	 0.1220325687	-0.455390759	 0.10173
+H	 2.1306932044	 0.0103784467	 2.5523589403	 0.097114
+H	 0.5299187871	 0.1039565479	 1.7349817494	 0.108927
+H	 2.810884329	 3.0006523249	-0.2441079133	 0.06964
+19
+0 2730	2.6894203	1.4170589	1.2134598	0.5955	76.11	-0.24239	0.06483	0.30722	1112.4861	0.155155	-422.508161	-422.499266	-422.498322	-422.541324	33.649
+C	 0.085338054	 1.6854979764	-2.7755751874	-0.50502
+C	-0.1013202884	 0.4570176623	-1.9327862392	 0.35435
+C	-1.4169047434	 0.0655626993	-1.319564852	-0.329968
+C	-0.7526711927	-0.9004074853	-2.2702865299	-0.212265
+C	 0.3348914531	-1.6130831675	-1.5034433961	 0.449725
+C	 0.3304263973	-2.8722501515	-0.7632763217	-0.271511
+O	 1.0587804095	-2.7253301287	-1.997933238	-0.293564
+C	 1.0356381752	-0.2668528679	-1.2027404518	-0.050498
+O	 1.2389322861	 0.145557963	 0.130027643	-0.433649
+H	 0.9228807482	 1.5706571294	-3.4728785592	 0.118466
+H	-0.8131809369	 1.9006270243	-3.363014373	 0.118523
+H	 0.289022318	 2.5622086602	-2.1498758055	 0.130307
+H	-1.4876698386	-0.1713423699	-0.2619828533	 0.122406
+H	-2.2790704144	 0.5907515955	-1.7192222835	 0.111488
+H	-1.200038246	-1.2359843955	-3.1973931848	 0.099112
+H	 0.9462538326	-2.9820725658	 0.1289604475	 0.10668
+H	-0.5392154718	-3.5262853926	-0.8099109378	 0.116987
+H	 1.9647357926	-0.2202322581	-1.789259464	 0.081531
+H	 2.0354180657	-0.2802905176	 0.4621946864	 0.286901
+19
+0 2731	2.8323834	1.409961	1.2198672	1.9208	76.05	-0.2439	0.08573	0.32963	1110.5521	0.155442	-422.510089	-422.501385	-422.500441	-422.543029	33.352
+C	 1.1487913506	-0.8247193903	-3.217311207	-0.512651
+C	 0.4391976591	 0.0833362608	-2.2689669808	 0.391604
+O	 0.5885031682	 1.5078325707	-2.4338088142	-0.305373
+C	-0.7476410603	 0.9513579851	-2.3891018587	-0.160459
+C	-1.0900006915	 0.7848530463	-0.9283334719	 0.349134
+C	-2.4347073481	 0.5573123843	-0.307758372	-0.344043
+C	-1.6311630012	 1.7919995049	 0.0368298777	-0.32137
+C	 0.177831636	-0.1025452744	-0.7499986214	-0.017978
+O	 1.1832556961	 0.3468391133	 0.1148280519	-0.435685
+H	 2.2110620726	-0.8951614477	-2.9584673026	 0.137704
+H	 0.7258286553	-1.8336100511	-3.1766442665	 0.127106
+H	 1.06931659	-0.4500145567	-4.2412612551	 0.134347
+H	-1.3914806911	 1.1468697033	-3.2393911858	 0.105714
+H	-3.3153871168	 0.6800769314	-0.9307163071	 0.113487
+H	-2.5244937702	-0.225377159	 0.4390823069	 0.117341
+H	-1.9682098008	 2.7498106721	-0.3454442082	 0.116285
+H	-1.1569451312	 1.8348368771	 1.0121572294	 0.125574
+H	-0.0575070419	-1.1335096181	-0.4699924383	 0.090618
+H	 1.4359846253	 1.2194119876	-0.2155857765	 0.288646
+19
+0 2732	2.7354021	1.420596	1.2004232	0.9113	75.62	-0.24724	0.0751	0.32233999999999996	1119.9611	0.154447	-422.501122	-422.492238	-422.491294	-422.534266	33.418
+C	 0.8674621209	-0.6651283097	-0.8554769845	-0.41674
+C	 0.9832149553	 0.1989925513	 0.3910455448	-0.147632
+C	 1.871770205	-0.320771359	 1.5549857007	 0.418008
+C	 1.4973663314	-1.2506281869	 2.661771632	-0.505353
+O	 3.2141904767	-0.3733710094	 1.0411357205	-0.286684
+C	 2.7146668329	 0.8908866427	 1.5175788253	-0.174864
+C	 1.8948421182	 1.4559908043	 0.3719471343	 0.451206
+C	 2.2613161271	 2.3919905716	-0.686361072	-0.264637
+O	 1.367130826	 2.768127933	 0.3790878055	-0.280279
+H	 0.2639967149	-1.5588554561	-0.6630537409	 0.116011
+H	 0.3882068285	-0.1153862001	-1.6722782822	 0.118645
+H	 1.8585169801	-0.9838483613	-1.1890726309	 0.134011
+H	-0.0012274933	 0.4999463413	 0.7675195943	 0.091946
+H	 1.3194376525	-2.2615973663	 2.278142428	 0.132742
+H	 2.3009255747	-1.3051507697	 3.4009203362	 0.136774
+H	 0.5822620856	-0.9131676759	 3.1586662165	 0.128791
+H	 3.275095381	 1.4063984549	 2.2895070997	 0.11014
+H	 3.2363560621	 2.876588613	-0.6711948454	 0.119371
+H	 1.7978865303	 2.3073558623	-1.668072542	 0.118546
+19
+0 2733	2.6922276	1.5367229	1.1484188	1.5856	75.55	-0.25132	0.06974	0.32106	1099.722	0.155288	-422.505889	-422.497163	-422.496219	-422.538752	33.539
+C	 3.0428442797	 1.2566705859	 0.3294960893	-0.398226
+C	 1.9719401451	 0.1842739046	 0.171194429	-0.174354
+C	 2.1530994811	-0.7233101698	-1.0699111868	 0.401956
+O	 2.9026002133	-0.366707068	-2.175884097	-0.459733
+C	 1.1402373442	-1.8256786038	-1.0835597633	-0.355001
+C	 2.3675632559	-1.9557715318	-0.1946979531	-0.214142
+C	 2.1836135081	-1.0903891699	 1.0254774043	 0.480805
+C	 2.7936702213	-1.2161257459	 2.3473643545	-0.273426
+O	 1.3910788304	-1.4504299594	 2.1485546213	-0.282152
+H	 2.9479534778	 1.7641486158	 1.2944834623	 0.115048
+H	 4.0468931588	 0.8264407542	 0.2632711773	 0.122956
+H	 2.9556999037	 2.011351443	-0.4583393287	 0.114501
+H	 0.9704729672	 0.6196949769	 0.2717706566	 0.074367
+H	 2.3139204076	 0.035229711	-2.8242467347	 0.288753
+H	 0.152601978	-1.7004351127	-0.6466314654	 0.11844
+H	 1.1747012229	-2.4556775044	-1.966962289	 0.115145
+H	 3.0649819965	-2.7764881525	-0.3070382166	 0.097392
+H	 3.3844107256	-2.0997512485	 2.588229122	 0.113577
+H	 3.0425495627	-0.3245369048	 2.921612838	 0.114093
+19
+0 2734	2.7570697	1.5445247	1.1579567	1.9452	75.89	-0.22317	0.06937	0.29254	1089.3855	0.156155	-422.510425	-422.501956	-422.501012	-422.542893	33.486
+O	 0.4383840718	 0.0237987775	 0.8842301317	-0.444204
+C	-0.9066693523	 0.4828577629	 0.9491962176	-0.042854
+C	-1.4809698837	 0.2932909406	 2.360047277	 0.42589
+O	-1.0525415259	-0.7313733671	 3.1679138667	-0.460059
+C	-2.7973318352	 0.9536267402	 2.5385531655	-0.336366
+C	-1.5504780217	 1.8268252651	 2.55756013	-0.26108
+C	-1.058964331	 2.0074502594	 1.1332850597	 0.356345
+C	-1.4794009609	 3.0260476648	 0.1156762013	-0.328117
+C	-0.05953221	 3.0174695276	 0.6425867092	-0.354878
+H	 0.9938801065	 0.7162778552	 1.2611887193	 0.286248
+H	-1.4393133725	 0.0031869896	 0.120827786	 0.082651
+H	-0.1638629996	-0.9486932286	 2.8511303511	 0.286681
+H	-3.5194723044	 1.0304205242	 1.727074706	 0.105283
+H	-3.2373990114	 0.7833186896	 3.5169244124	 0.121914
+H	-1.3000229547	 2.4542013151	 3.4047664342	 0.09081
+H	-1.6379010507	 2.6990857303	-0.9067816005	 0.117113
+H	-2.1377389416	 3.8260766312	 0.4384246538	 0.116617
+H	 0.7256870467	 2.6809939093	-0.0283341408	 0.119662
+H	 0.2403247705	 3.8100620632	 1.3206087896	 0.118343
+19
+0 2735	2.355485	1.6629471	1.355996	2.261	76.45	-0.21507	0.0171	0.23217000000000002	1038.4278	0.155919	-422.55754	-422.548649	-422.547705	-422.590309	34.339
+C	-1.5013191197	-1.5206652736	 2.1672667631	-0.495758
+C	-1.6118249837	-0.0500288835	 1.8517455333	 0.176591
+C	-2.9208694317	 0.6603936982	 1.8981552489	-0.130795
+C	-2.8145603202	 1.9145370933	 2.3491284445	-0.088667
+C	-1.3958869288	 2.2630912444	 2.745072934	-0.337161
+C	-0.6160848557	 1.0172498942	 2.3344918677	 0.280383
+O	 0.5637619152	 0.6919690125	 3.0145822883	-0.479268
+C	-0.6024124759	 0.6053655422	 0.8885014263	 0.061606
+O	 0.4956621933	-0.1282361256	 0.4590626206	-0.437652
+H	-1.7046510989	-1.7337338414	 3.2236282018	 0.106341
+H	-2.2227444793	-2.0945124338	 1.5751853825	 0.124534
+H	-0.5059048301	-1.8952923285	 1.9172675728	 0.128612
+H	-3.8414376466	 0.1906088597	 1.5673318113	 0.09416
+H	-3.6318395282	 2.6211714016	 2.4334247876	 0.095992
+H	-1.0227254601	 3.1647540605	 2.2443192466	 0.116241
+H	-1.3028056806	 2.4482620563	 3.8258409393	 0.100445
+H	 0.3408092114	 0.2005426271	 3.812335515	 0.293764
+H	-0.9927878032	 1.280807113	 0.1303190437	 0.096172
+H	 1.1395460428	-0.0961651866	 1.1809510528	 0.29446
+19
+0 2736	2.3551952	1.661717	1.3531625	1.8413	76.48	-0.20673	0.01829	0.22502	1039.7864	0.155878	-422.555879	-422.546993	-422.546049	-422.588678	34.332
+C	-1.9265237811	-1.2101245088	-0.8501745723	-0.475637
+C	-2.0682297126	-0.2260108384	 0.2847502356	 0.205002
+C	-3.1184444885	-0.4875133976	 1.3703196104	-0.337582
+C	-3.6307533609	 0.8916772984	 1.7394725749	-0.08188
+C	-3.0735483125	 1.8530695192	 0.9990624391	-0.133061
+C	-2.0537659367	 1.2990722219	 0.0745265004	 0.347907
+O	-1.8525591325	 1.9198030022	-1.1512798701	-0.485997
+C	-0.8791859892	 0.5952375912	 0.7340704534	-0.034346
+O	 0.2714099608	 0.4694655091	-0.067611801	-0.435614
+H	-1.5767342427	-2.1842069495	-0.4892856411	 0.116501
+H	-2.8911239299	-1.3616611204	-1.346244185	 0.118828
+H	-1.2132808591	-0.8616006857	-1.5991255269	 0.126222
+H	-3.9283570818	-1.1287215025	 0.9946808136	 0.107183
+H	-2.6913415972	-1.0109223414	 2.2362274944	 0.107937
+H	-4.3534905883	 1.0499693946	 2.531354382	 0.095578
+H	-3.2760707552	 2.915774009	 1.0614797159	 0.099418
+H	-0.9513834993	 1.6930052353	-1.419584547	 0.280155
+H	-0.6897992241	 0.7332758472	 1.7992754657	 0.083943
+H	 0.8589751808	 1.2002667862	 0.1534037981	 0.295446
+19
+0 2737	2.4027212	1.6175432	1.3910896	1.823	76.2	-0.22614	0.01606	0.2422	1039.5583	0.155503	-422.556042	-422.546966	-422.546022	-422.589048	34.707
+C	 0.9538623874	 1.0666510569	 0.0965577105	-0.429527
+C	 0.9441451032	-0.4436757094	 0.167972009	-0.123882
+C	 1.8461624681	-1.2422681682	-0.759142442	 0.362776
+O	 2.6707534051	-0.5564859555	-1.6467637956	-0.481477
+C	 1.4431035601	-2.67325022	-1.1065513012	-0.333907
+C	 1.4796687996	-3.3817462961	 0.2345893106	-0.076866
+C	 1.8915550892	-2.5850470838	 1.2249276605	-0.139301
+C	 2.1483344915	-1.2023193225	 0.7273743638	 0.253729
+O	 3.294081473	-0.5107623772	 1.1354340211	-0.47644
+H	 0.7129775465	 1.5155391774	 1.0675012868	 0.107079
+H	 1.9226446057	 1.4462924461	-0.2332488645	 0.124478
+H	 0.20628312	 1.4185657991	-0.6216309917	 0.127427
+H	-0.0206277673	-0.8863309384	 0.4058472886	 0.082159
+H	 3.4910147248	-0.3667911364	-1.1717827765	 0.291611
+H	 0.4519554948	-2.7271157142	-1.5738076543	 0.11177
+H	 2.1538040682	-3.107808327	-1.8210055524	 0.116217
+H	 1.1725778003	-4.4149174526	 0.3508095776	 0.096954
+H	 2.0081156202	-2.8656898452	 2.2655833423	 0.093989
+H	 3.0399827296	 0.1863820268	 1.7486817075	 0.293212
+19
+0 2738	2.0532644	1.5491608	1.2242728	2.8905	78.65	-0.23747	-0.01985	0.21761999999999998	1124.0556	0.155245	-422.542929	-422.533745	-422.532801	-422.57642	34.157
+C	 0.5983732112	-2.6879695964	-2.2745823475	-0.493298
+C	 0.8231326552	-1.4300401095	-1.487242068	 0.264577
+C	 2.1966830642	-0.9143970745	-1.0366632532	-0.284066
+C	 1.7718430787	 0.5570358699	-1.3440241128	-0.303418
+C	 0.4057491254	 0.0664918486	-1.8116953831	 0.176744
+C	-0.3334049513	 0.5682676999	-2.9668874657	 0.040167
+O	 0.0362656148	 1.4955509473	-3.6568405415	-0.28151
+C	-0.2419996116	-0.7650024249	-0.6993346823	 0.000994
+O	-1.5234497841	-1.2663783512	-0.9230194781	-0.421865
+H	 0.8851821988	-3.5585428519	-1.6714206794	 0.126714
+H	-0.4513996525	-2.8045934543	-2.5491612614	 0.145346
+H	 1.2065355138	-2.7013624192	-3.1846903117	 0.124576
+H	 2.4669638415	-1.1447855028	-0.0006401136	 0.101598
+H	 3.0000592828	-1.2609498661	-1.6903975339	 0.114545
+H	 1.7588175559	 1.2454074611	-0.4927448241	 0.100138
+H	 2.3417867188	 1.0132044616	-2.1542442092	 0.132276
+H	-1.2778530767	 0.0273575208	-3.1917033903	 0.069249
+H	-0.044373341	-0.4508493673	 0.3299492525	 0.089408
+H	-2.1588587539	-0.561048861	-0.7619121767	 0.297825
+19
+0 2739	2.0355356	1.6435402	1.3472949	2.7035	77.78	-0.23772	-0.0324	0.20532	1081.2164	0.15433	-422.528681	-422.519274	-422.51833	-422.562561	34.107
+C	 1.0622083474	-0.2875096138	-1.0358393008	-0.439187
+C	 1.0136807801	 0.4222254975	 0.2995872872	-0.111783
+C	 1.7435141166	-0.1362579056	 1.4928482538	 0.196099
+C	 2.3773893381	-1.4930625471	 1.5746168418	-0.494506
+C	 1.4710504604	 0.7781555968	 2.6891978807	-0.132611
+O	 1.8631056646	 1.9662259827	 1.949892432	-0.322584
+C	 2.2355145891	 1.1650020579	 0.8272715016	 0.302589
+C	 3.4823257241	 1.4759948849	 0.1214849572	 0.064407
+O	 3.9786974566	 0.7965801419	-0.7511098871	-0.279144
+H	 0.3902637177	-1.1526862524	-1.0378430887	 0.118726
+H	 0.7385549231	 0.3897975125	-1.8318526615	 0.127669
+H	 2.0715954516	-0.6180900454	-1.2819888411	 0.15865
+H	 0.0852798868	 0.9551095371	 0.5035600597	 0.096571
+H	 3.1855882226	-1.5059664148	 2.3130373453	 0.126423
+H	 1.6396903763	-2.2484376734	 1.8715906951	 0.127953
+H	 2.798373962	-1.7988495358	 0.6142822225	 0.1484
+H	 0.4388937657	 0.8386644558	 3.0537983825	 0.109554
+H	 2.1532636862	 0.6061427491	 3.5302609243	 0.111486
+H	 3.9612963409	 2.4132659721	 0.4805335156	 0.091288
+19
+0 2740	2.0996777	1.4781281	1.3501747	1.5727	78.25	-0.24277	-0.02799	0.21478000000000003	1105.8644	0.154538	-422.535047	-422.525703	-422.524759	-422.568851	33.978
+C	 1.1238070045	-0.8209619299	-0.8553386414	-0.428011
+C	 1.0184795841	 0.1130169187	 0.3293986631	-0.119898
+C	 1.9346383488	 0.0810461241	 1.4950149268	 0.410614
+C	 1.5617723306	-0.0364758551	 2.9352623678	-0.486128
+O	 3.2626978371	-0.2781371535	 1.1149620392	-0.309242
+C	 3.3887576983	 0.899174356	 0.2749658182	-0.162841
+C	 1.9469353612	 1.3143857035	 0.5291002666	 0.095423
+C	 1.4463506094	 2.6543583467	 0.8309438077	 0.059725
+O	 0.3064687197	 2.9050254141	 1.1610427644	-0.286755
+H	 0.4803954089	-1.6936997541	-0.7033841727	 0.126038
+H	 0.8063159351	-0.327276933	-1.778974934	 0.124714
+H	 2.1456712943	-1.1846302983	-0.9851050481	 0.136747
+H	 0.0082535866	 0.4011978832	 0.612287598	 0.121728
+H	 1.4345742306	-1.0900841354	 3.2093431162	 0.138443
+H	 2.3359726591	 0.3926274952	 3.5773888227	 0.133393
+H	 0.6172757492	 0.482195683	 3.1194561411	 0.150732
+H	 4.119437494	 1.5951166487	 0.7039606063	 0.115816
+H	 3.6775107757	 0.6467095541	-0.7512204213	 0.112214
+H	 2.2126129327	 3.460879372	 0.7670986393	 0.067287
+19
+0 2741	2.0743082	1.5424604	1.1980953	4.2916	79.28	-0.2289	-0.01576	0.21314	1133.5566	0.155029	-422.542915	-422.533618	-422.532674	-422.576578	34.342
+C	 1.278016889	 1.1130989031	-0.1696171925	-0.457878
+C	 1.1388452373	-0.3712834293	 0.1066284473	-0.130317
+C	 1.9086239081	-1.3211324765	-0.7326281185	 0.366065
+O	 2.598181847	-0.9788238434	-1.8678039738	-0.442673
+C	 1.5631927819	-2.7753430029	-0.4574055468	-0.277776
+C	 1.8319079254	-2.5665967737	 1.0670004247	-0.293512
+C	 2.2684956281	-1.1243071556	 0.8199545407	 0.174319
+C	 3.4364861831	-0.5067510849	 1.4351779738	 0.049153
+O	 4.1424053984	-1.0595492999	 2.2535313871	-0.284663
+H	 1.0473982263	 1.7026542462	 0.722225636	 0.141191
+H	 2.2883934607	 1.3902218655	-0.4865783176	 0.127207
+H	 0.580919522	 1.4216563519	-0.957212205	 0.12783
+H	 0.1305180496	-0.6588184174	 0.4118019034	 0.089994
+H	 2.3586108284	-0.0860918519	-2.1385695001	 0.296861
+H	 0.5579688325	-3.0877821696	-0.760902634	 0.100681
+H	 2.2943277992	-3.4462727942	-0.9128821476	 0.124355
+H	 0.9606264875	-2.680981275	 1.7195821505	 0.100044
+H	 2.6473384556	-3.1787601234	 1.4523530244	 0.133706
+H	 3.6746206303	 0.523958881	 1.0915106479	 0.055412
+19
+0 2742	3.0936028	1.2990359	1.0758215	0.6312	75.62	-0.2574	0.05734	0.31474	1162.5959	0.154928	-422.500342	-422.491642	-422.490698	-422.533872	32.697
+C	 3.354476746	 0.542452932	-0.5141233008	-0.408578
+C	 1.9030451364	 0.1902407066	-0.2275081046	-0.151596
+C	 0.9199049286	 1.2914766872	 0.2185782422	 0.439329
+C	 1.0486723225	 2.7448823276	 0.1162678452	-0.26096
+O	 0.0837648439	 2.0160259398	-0.6603505682	-0.27617
+C	 0.4134710924	 0.4478476242	 1.3989968746	-0.405706
+C	 1.5785904053	-0.5088929255	 1.1099586188	 0.422489
+C	 1.8479703836	-1.8686496471	 1.5662267499	-0.269552
+O	 2.5922439877	-0.7496924389	 2.0755929735	-0.261356
+H	 3.8035162431	 1.0746588737	 0.3287295412	 0.128985
+H	 3.9480635836	-0.3604499582	-0.689336218	 0.121802
+H	 3.4331723352	 1.171285289	-1.4067901626	 0.119921
+H	 1.4638266245	-0.3647988869	-1.0655924139	 0.092349
+H	 0.6346505432	 3.3795909657	 0.898915151	 0.116299
+H	 1.8681144543	 3.1822273658	-0.4522111686	 0.117694
+H	 0.4215404088	 0.9133223709	 2.3872806233	 0.12298
+H	-0.5714466296	 0.0115281156	 1.2072883446	 0.12059
+H	 1.1776964195	-2.3455907504	 2.2805255717	 0.116381
+H	 2.4121941409	-2.5527758611	 0.9328769708	 0.115099
+19
+0 2743	3.1406604	1.3439578	1.1330831	1.9629	76.32	-0.25582	0.06446	0.32028	1130.032	0.156051	-422.506061	-422.497629	-422.496685	-422.538925	32.608
+O	-0.7586078727	-0.0167417607	 0.4498310238	-0.430515
+C	-2.1491543281	 0.0821330742	 0.5437840292	 0.008784
+C	-3.0141681382	 0.1757841257	-0.7371813887	 0.327679
+C	-3.4499053157	-0.9308763399	-1.6434476917	-0.346685
+C	-2.4421452813	 0.0925214777	-2.1196827269	-0.308334
+C	-3.8098621177	 1.3584634305	-0.1506237403	-0.397171
+C	-2.7077705396	 1.4696069212	 0.9066996282	 0.37639
+C	-2.4902044899	 2.3044749057	 2.0819668609	-0.269442
+O	-1.7732073826	 2.5492665319	 0.8550653885	-0.276985
+H	-0.4383743662	 0.8847369622	 0.3041820612	 0.292127
+H	-2.4995799404	-0.7109060186	 1.215343588	 0.087201
+H	-3.0967015732	-1.9346857356	-1.4275958778	 0.1164
+H	-4.4528414022	-0.8894809278	-2.0570562206	 0.11063
+H	-1.4045059441	-0.2144112759	-2.2008772877	 0.12541
+H	-2.7615330342	 0.8234036594	-2.8557337137	 0.111049
+H	-3.9341056117	 2.2411342019	-0.7828004158	 0.119848
+H	-4.7797099475	 1.0732153471	 0.2699982504	 0.108925
+H	-3.2143641328	 3.0728721943	 2.3481490297	 0.121227
+H	-1.8838204219	 1.9286493367	 2.9048806635	 0.123462
+19
+0 2744	3.0189664	1.3575691	1.1191754	0.4243	76.52	-0.22335	0.0747	0.29805	1147.1466	0.155284	-422.501277	-422.492643	-422.491698	-422.534439	33.318
+O	 0.4168052746	 0.3319620979	 0.7374768744	-0.4236
+C	-0.8568584468	 0.9143456573	 0.6856988129	-0.090112
+C	-1.6492801308	 0.8411739895	-0.6226704983	 0.414227
+C	-1.1498686552	 0.4241071282	-1.968400836	-0.340276
+C	-1.7848560629	 1.794133546	-1.7548250089	-0.343482
+O	-2.7759467256	 0.2223514166	 0.0099507639	-0.325258
+C	-2.0496978957	 0.131208705	 1.2415292534	 0.414227
+C	-2.7139607045	 0.1467801219	 2.5707394395	-0.343482
+C	-2.0170166524	-1.1133943172	 2.0687173659	-0.340275
+H	 0.3415837851	-0.5610672572	 0.3812017485	 0.285753
+H	-0.7483800097	 1.922709985	 1.0930271044	 0.105387
+H	-0.0760968645	 0.3697550099	-2.1185314918	 0.121266
+H	-1.7314712971	-0.3157613506	-2.5074672658	 0.12526
+H	-1.147875592	 2.6726932754	-1.7726990488	 0.119809
+H	-2.7822090981	 1.9452870014	-2.1537649411	 0.127111
+H	-2.2534380016	 0.7124725463	 3.3743821544	 0.119809
+H	-3.7986900457	 0.1430106565	 2.5785891785	 0.127111
+H	-1.0731003869	-1.3979866465	 2.5231493758	 0.121266
+H	-2.6463560902	-1.9379057853	 1.7519016891	 0.12526
+19
+0 2745	2.7441917	1.6371681	1.5093826	1.1605	73.89	-0.22315	0.07162	0.29477	990.0643	0.157085	-422.500212	-422.492319	-422.491375	-422.532112	30.842
+C	-0.3749924148	 0.2209074877	-0.0169895972	-0.424323
+C	 1.1331747849	 0.2383349935	 0.0805689779	-0.103268
+C	 1.9610373979	-0.7802820078	 0.8325119193	 0.272189
+C	 1.4756482641	-2.2405847273	 0.7516834284	-0.296513
+C	 1.5759194469	-2.1525387541	-0.814099564	-0.296514
+C	 2.0571915263	-0.6958491102	-0.6689982514	 0.272189
+O	 3.3488798963	-0.2376805251	-0.9637319745	-0.284539
+C	 4.1008902176	-0.4687338517	 0.2308539684	-0.002561
+O	 3.2014579031	-0.3671343235	 1.3383908124	-0.284539
+H	-0.8233887414	 0.6815651599	 0.8693286154	 0.126125
+H	-0.71033748	 0.7808652516	-0.8960889861	 0.126125
+H	-0.772386572	-0.7943393414	-0.0995423865	 0.12192
+H	 1.5775044472	 1.225046618	 0.1645100588	 0.108571
+H	 2.2047922813	-2.9316391795	 1.178753732	 0.116881
+H	 0.495460477	-2.4532116234	 1.1877304995	 0.106056
+H	 2.3583680019	-2.7967866895	-1.2194576195	 0.116881
+H	 0.6606768808	-2.3081336774	-1.3922312756	 0.106056
+H	 4.5597144038	-1.4708000235	 0.2038863643	 0.094493
+H	 4.870608179	 0.3018626638	 0.3234767084	 0.124774
+19
+0 2746	2.7184703	1.6232632	1.4916747	1.1835	74.03	-0.22186	0.05401	0.27587	994.7152	0.157482	-422.494764	-422.486877	-422.485932	-422.526747	30.631
+C	 2.6716219659	 1.3748741128	 0.3384599228	-0.424683
+C	 1.798623588	 0.1506032064	 0.1957030359	-0.12394
+C	 2.1017792974	-0.9643566947	-0.7784844658	 0.312719
+C	 1.0564307323	-1.9030585274	-1.3273152863	-0.325938
+C	 0.3107881397	-2.3585208414	-0.0297628248	-0.097157
+O	 1.2015926834	-2.1529875006	 1.0884255519	-0.29276
+C	 2.1691178345	-1.2354966977	 0.692244589	 0.255429
+C	 3.6321881664	-1.5938159289	 0.4291221584	-0.152398
+O	 3.5180168683	-1.1727383109	-0.9637021156	-0.324257
+H	 2.6356092856	 1.7665519409	 1.3598693804	 0.121185
+H	 3.7097462683	 1.1455715017	 0.0878351276	 0.138962
+H	 2.3362817462	 2.1661391624	-0.3401935787	 0.121564
+H	 0.7318966371	 0.3338974789	 0.3000149983	 0.099267
+H	 0.3614503025	-1.4713166108	-2.052834381	 0.113547
+H	 1.569863062	-2.7439253145	-1.8019639128	 0.127986
+H	-0.6010002867	-1.7651666657	 0.118502901	 0.107945
+H	 0.0253072052	-3.4143831978	-0.0460764466	 0.116672
+H	 4.4123898797	-1.0422120613	 0.9645346077	 0.108994
+H	 3.8103221742	-2.6715542214	 0.5049404187	 0.116864
+19
+0 2747	2.3486556	1.8851592	1.5481932	1.2858	73.91	-0.23225	0.05146	0.28371	964.2596	0.158079	-422.50027	-422.492546	-422.491601	-422.531956	30.242
+C	 3.4673493011	 1.3309491531	 0.0195497255	-0.437732
+C	 2.3714254214	 0.3104155613	 0.2371465247	-0.099192
+C	 2.0696816838	-0.7613925687	-0.8080135043	 0.09303
+C	 0.8885602874	-1.6170168926	-0.3316266998	-0.13841
+O	 1.4990731573	-1.8477414763	 0.9716918324	-0.319265
+C	 2.6632007761	-1.1263964718	 0.5397999018	 0.331288
+C	 3.9895213242	-1.7915426069	 0.2721938524	-0.161853
+O	 4.31565701	-1.4333101974	-1.0800166277	-0.263858
+C	 3.1076311937	-1.1651357684	-1.8245564905	-0.15309
+H	 3.7846951294	 1.7558214302	 0.9773452923	 0.123971
+H	 4.3416654827	 0.8940177288	-0.4664093192	 0.149338
+H	 3.1036811947	 2.1537096412	-0.6050048688	 0.122174
+H	 1.4932253749	 0.6971976781	 0.7500665223	 0.09816
+H	-0.08755469	-1.1266206095	-0.2428213602	 0.109346
+H	 0.7814084001	-2.5569413899	-0.8862703999	 0.108842
+H	 4.8267447605	-1.4566417222	 0.8919745212	 0.114248
+H	 3.8663659109	-2.8775719322	 0.3953739571	 0.110088
+H	 3.3707281636	-0.4009581608	-2.5625374197	 0.113653
+H	 2.7709532581	-2.0635509261	-2.3639161997	 0.099261
+19
+0 2748	2.6871128	1.5996832	1.4808363	1.4957	74.13	-0.22786	0.06603	0.29389	993.3965	0.158552	-422.518036	-422.510321	-422.509377	-422.549678	30.568
+O	 0.457477915	 0.6905373484	-0.6191555015	-0.430134
+C	-0.3531084745	 0.4064350667	 0.4811973878	 0.044497
+C	-1.7211392321	-0.1349738831	 0.2364931032	 0.17616
+C	-1.7580220864	-1.1018111234	-0.9637941941	-0.278399
+C	-0.6675904115	-1.9826587236	-0.2785356815	-0.275165
+C	-0.6351648736	-1.0079755039	 0.9168058357	 0.130216
+C	-1.1187866294	-1.216476758	 2.3316831899	-0.154661
+O	-2.1182345217	-0.2041337548	 2.5433233431	-0.262061
+C	-2.7669731538	 0.1055973391	 1.2976642721	-0.156586
+H	 1.371215675	 0.5243434144	-0.3644305214	 0.288161
+H	-0.2924885619	 1.1240911896	 1.2998796291	 0.100524
+H	-2.7201197861	-1.6111688824	-1.0530291922	 0.10188
+H	-1.4965108058	-0.6606036871	-1.9272494653	 0.116536
+H	-1.0348713689	-2.9713093632	 0.0057869657	 0.1036
+H	 0.2751519162	-2.100630919	-0.8185802855	 0.098523
+H	-1.5419845334	-2.2285364525	 2.4392168077	 0.089987
+H	-0.3726070631	-1.0712075626	 3.1203839017	 0.105796
+H	-3.6355798562	-0.54969554	 1.1236734514	 0.090409
+H	-3.124755728	 1.1361837154	 1.391011524	 0.110717
+19
+0 2749	2.7448894	1.5844209	1.4994638	0.6131	73.9	-0.21646	0.06642	0.28288	989.3602	0.157943	-422.512384	-422.504559	-422.503615	-422.544213	30.948
+O	 0.0723196826	-0.2987200206	-0.3047157365	-0.423044
+C	-0.4599505304	 0.5211962995	 0.689967423	 0.013261
+C	-1.6824731803	 0.0555464536	 1.4288385353	 0.168566
+C	-1.6413672078	-1.4648478186	 1.6987061056	-0.276155
+C	-0.3029022996	-1.2873710807	 2.4913574787	-0.286353
+C	-0.3426717488	 0.2122944357	 2.1550338975	 0.261278
+O	-0.3980641804	 1.2743147499	 3.0525515705	-0.285434
+C	-1.7924226851	 1.5275194501	 3.3289205631	-0.081342
+C	-2.5958446333	 1.0904502351	 2.0621015193	-0.326721
+H	 1.029440148	-0.189446612	-0.2962932403	 0.290349
+H	-0.4463454065	 1.5906625752	 0.4767446503	 0.09208
+H	-2.4675648332	-1.8005576226	 2.3293431299	 0.099695
+H	-1.5951515536	-2.0919894137	 0.8066420346	 0.117753
+H	-0.4256486929	-1.459983687	 3.5623654961	 0.109919
+H	 0.5700741898	-1.8444779747	 2.1401013613	 0.096262
+H	-2.108566664	 0.9432185091	 4.205495137	 0.09784
+H	-1.8926864854	 2.5894252271	 3.5709621304	 0.110726
+H	-3.5705605713	 0.6765327872	 2.3355705659	 0.109581
+H	-2.7723304477	 1.9441680874	 1.400259018	 0.11174
+19
+0 2750	2.7601028	1.5754563	1.492172	2.1415	73.37	-0.23271	0.05064	0.28335	992.3873	0.15864	-422.512743	-422.505204	-422.504259	-422.544189	30.393
+O	 0.6471644911	 0.1224545899	 0.4752512896	-0.443515
+C	-0.578951231	 0.6930752146	 0.7887649233	 0.047436
+C	-1.8976903704	-0.0565256974	 0.6076196421	 0.122655
+C	-1.8048299988	-0.880883317	-0.6775341821	-0.163746
+O	-1.3181980295	 0.268453684	-1.4486117694	-0.348163
+C	-1.5187941953	 1.1097063953	-0.2928678632	 0.323743
+C	-2.545258678	 2.2062574935	-0.1809629306	-0.305312
+C	-3.2200482387	 1.8963328445	 1.1925222396	-0.219352
+C	-3.1343213949	 0.3455030896	 1.3882436397	-0.299209
+H	 0.6638827005	 0.0415623104	-0.4886964068	 0.297434
+H	-0.5206806193	 1.3241063491	 1.6704631661	 0.107803
+H	-1.0927149711	-1.7128088728	-0.7022002842	 0.114149
+H	-2.7781165691	-1.2106266425	-1.0569468695	 0.111653
+H	-2.151480601	 3.2262996031	-0.2268406962	 0.107645
+H	-3.2614514372	 2.0871374502	-1.0016292794	 0.117012
+H	-2.6693159816	 2.4011548097	 1.9934040498	 0.112893
+H	-4.2471171796	 2.2685119424	 1.2407289663	 0.106245
+H	-3.1185113091	 0.0745224449	 2.4487847361	 0.106336
+H	-4.0119884372	-0.1400968016	 0.9455641189	 0.10429
+19
+0 2751	1.979779	1.7239678	1.208492	4.6491	76.56	-0.23279	-0.00196	0.23083	1115.9552	0.154886	-422.553317	-422.543961	-422.543017	-422.58697	34.797
+C	-0.6096428193	-1.9283537255	-1.3406247177	-0.415069
+C	-0.8148097624	-1.0460362716	-0.1123092943	-0.167823
+C	 0.182459966	 0.1379303704	-0.0724014041	 0.456668
+O	 1.3658067586	 0.1909330995	-0.2610156751	-0.338175
+C	-0.8865792122	 1.1842879148	-0.0302300202	-0.275069
+C	-1.886621507	 0.8542659264	 1.0452695948	 0.054549
+O	-1.4188988366	 0.3964687853	 2.2822559552	-0.413267
+C	-1.945916842	 0.012114765	-0.181135973	 0.261924
+C	-3.1401507348	-0.0553896056	-1.0891749219	-0.495642
+H	-1.413835849	-2.6639464746	-1.4428983294	 0.115115
+H	-0.5683138851	-1.3377827725	-2.2617325571	 0.121135
+H	 0.338023694	-2.4663713846	-1.2525120947	 0.139432
+H	-0.8358165288	-1.650029856	 0.7995702041	 0.087233
+H	-0.8318452196	 2.171892883	-0.4740228068	 0.1058
+H	-2.6803718594	 1.6008809354	 1.1173601447	 0.09374
+H	-2.1270141134	-0.1027667168	 2.7039062209	 0.288539
+H	-3.8209053402	-0.8584926559	-0.7811651055	 0.125471
+H	-3.7038795848	 0.8826478692	-1.0674160786	 0.123759
+H	-2.8517663841	-0.248394866	-2.1270892815	 0.13168
+19
+0 2752	2.5606364	1.4557518	1.0373525	4.2738	77.4	-0.23151	-0.00286	0.22865	1185.0882	0.154112	-422.55158	-422.541728	-422.540784	-422.586616	35.281
+C	-2.970223855	 1.9770565308	 1.4888034843	-0.452696
+C	-2.0139850571	 0.8212948727	 1.2676338458	-0.087372
+C	-0.848917761	 1.1006435645	 0.2946685467	-0.281708
+C	 0.0615303561	-0.075416368	 0.2451512923	 0.439641
+O	 1.2558861975	-0.2019079492	 0.2204978171	-0.337322
+C	-1.0878023266	-1.0893289331	-0.0286234898	-0.194916
+C	-0.9147155008	-1.7956143685	-1.3713645742	-0.401567
+C	-2.0411771982	 0.1166109088	-0.0321916856	 0.418813
+O	-3.034339489	 0.2122974401	-0.9778366373	-0.456336
+H	-2.586263261	 2.6582384023	 2.2536864245	 0.139837
+H	-3.1196667097	 2.5640199512	 0.5760943468	 0.125424
+H	-3.9483429992	 1.617734043	 1.8297472161	 0.126488
+H	-1.8041364705	 0.2478461135	 2.1705868241	 0.094079
+H	-0.6282544358	 2.1187782892	-0.0048632387	 0.105061
+H	-1.2785813022	-1.8188889079	 0.768345938	 0.082159
+H	-0.0646342049	-2.4809944141	-1.3222346629	 0.13258
+H	-1.8123247886	-2.3641733976	-1.6295115719	 0.123884
+H	-0.7270834833	-1.078740084	-2.1765356988	 0.127132
+H	-3.7773109007	 0.7030660463	-0.6122658964	 0.29682
+19
+0 2753	2.2604933	1.3966293	1.1345817	3.805	77.07	-0.23149	-0.01796	0.21353	1177.974	0.154655	-422.552514	-422.542884	-422.54194	-422.586623	35.081
+C	-2.9396475877	-2.1239700491	-1.4377723033	-0.431711
+C	-1.9623709348	-0.9830250671	-1.2437787565	-0.062505
+C	-0.9306868295	-1.1265896068	-0.1147635964	-0.244587
+C	 0.0812027314	-0.0416038271	-0.2939301114	 0.368889
+O	 1.2768251914	-0.0025287021	-0.3760664575	-0.320691
+C	-1.0238517964	 1.060929923	-0.2128559423	-0.048504
+O	-1.1613365089	 2.0676704239	-1.1776704675	-0.424341
+C	-2.0727692366	-0.0665133608	-0.0710077032	 0.310845
+C	-3.2534372852	 0.0389609921	 0.8517036626	-0.506509
+H	-3.2251286497	-2.5857981236	-0.4885549437	 0.124842
+H	-3.8533887811	-1.7752286864	-1.9308293327	 0.128361
+H	-2.4976748479	-2.9044538975	-2.0648740593	 0.130959
+H	-1.6101755966	-0.5708420889	-2.1895680524	 0.074861
+H	-0.8184711233	-2.0637587402	 0.4165604973	 0.107646
+H	-0.9055967595	 1.5756357648	 0.7493105593	 0.115204
+H	-1.0403870395	 1.6815488846	-2.050823655	 0.289756
+H	-3.7967481419	-0.9047428055	 0.9446650796	 0.124995
+H	-2.9403249615	 0.3466600806	 1.8552157154	 0.126544
+H	-3.9581629128	 0.792138336	 0.4806584268	 0.135947
+19
+0 2754	2.4879762	1.6333883	1.141123	2.6908	75.65	-0.24628	0.00093	0.24720999999999999	1103.9812	0.155053	-422.530604	-422.52161	-422.520665	-422.563587	34.486
+C	-3.4209250397	-0.0535579348	-0.7296638452	-0.474067
+C	-1.8934343621	-0.0529084426	-0.8332986305	 0.330835
+C	-1.4952187851	-0.0969095912	-2.3108094633	-0.462862
+C	-1.0765502208	 0.9573782998	 0.0691671335	-0.257313
+C	-1.400619042	 0.0128556687	 1.2868021169	 0.181487
+O	-0.6285659267	 0.0501473921	 2.4471541682	-0.456873
+C	-1.0716451128	-1.0023409566	 0.1288458523	-0.25735
+C	 0.0916627219	-0.0260229747	-0.1136408033	 0.404395
+O	 1.2803418674	-0.026614329	-0.2301353186	-0.340934
+H	-3.8157703425	-0.0241821222	 0.2860817909	 0.126367
+H	-3.8279249859	 0.8111855757	-1.2648427753	 0.124847
+H	-3.8235836659	-0.9507431494	-1.2121361673	 0.124838
+H	-1.8979563738	-0.9957336961	-2.7905583636	 0.121338
+H	-1.9028608045	 0.7687243505	-2.8444263238	 0.121334
+H	-0.4111271597	-0.0983115425	-2.4554748719	 0.138809
+H	-1.0827486118	 2.0455103394	 0.0407417414	 0.09041
+H	-2.4361588091	 0.0202002633	 1.6123548684	 0.099554
+H	 0.3096435091	 0.0448793546	 2.2200515199	 0.294778
+H	-1.0723867862	-2.0902067551	 0.1666337212	 0.090408
+19
+0 2755	2.4850724	1.6446641	1.1476873	4.0913	76.25	-0.23539	0.01904	0.25443	1107.7351	0.154781	-422.533023	-422.524012	-422.523068	-422.565898	34.626
+C	-1.3270931908	 0.213144866	-2.4960195449	-0.437844
+C	-1.7708195394	 0.0799520908	-1.0475859146	 0.010846
+C	-1.1261962636	-1.0155071148	-0.1204161724	-0.260893
+C	 0.0960339683	-0.0748006804	-0.1341993235	 0.457206
+O	 1.2711474267	-0.0973555066	-0.3151744688	-0.331501
+C	-1.0627842928	 0.9263886275	 0.074499921	-0.228606
+C	-1.5808368304	-0.128233545	 1.1049061433	 0.450481
+C	-3.0338624673	-0.1348927687	 1.5589057338	-0.482822
+O	-0.7287728259	-0.1743508514	 2.2337998114	-0.474219
+H	-1.741454222	-0.6008184174	-3.1003451166	 0.12105
+H	-1.6869109455	 1.1557581861	-2.9221010513	 0.121837
+H	-0.2386344189	 0.1900524268	-2.6016421393	 0.143108
+H	-2.8579610157	 0.1093612166	-0.976334546	 0.0795
+H	-1.1781258445	-2.0985059116	-0.225575001	 0.081136
+H	-1.0395063901	 2.0084311766	 0.1899411808	 0.088721
+H	-3.2002703049	 0.6971314432	 2.2490631875	 0.136795
+H	-3.7584671929	-0.0608556066	 0.7474059011	 0.129354
+H	-3.2469375267	-1.0645622615	 2.1008780424	 0.11453
+H	-0.9651248537	-0.9420066097	 2.7655737271	 0.281321
+19
+0 2756	2.5646341	1.3807892	1.1157103	2.3124	76.58	-0.23299	-0.00879	0.2242	1151.4636	0.156547	-422.582215	-422.573512	-422.572567	-422.615115	33.3
+C	-3.3637722271	-1.5078321836	 0.6955438463	-0.478708
+C	-2.2661169727	-0.7784930809	-0.0392036004	 0.292444
+C	-2.2665597036	 0.757555865	-0.0024220448	-0.277216
+C	-0.8136855133	 1.2053387243	-0.2599750447	-0.347254
+C	 0.0575949011	-0.0087382934	 0.1043770091	 0.418391
+O	 1.2180669996	 0.0322353313	 0.4351276952	-0.336815
+C	-0.7984454552	-1.223286033	 0.0202184105	-0.254067
+C	-1.6487154972	-1.3697716608	-1.2559393187	 0.062221
+O	-2.0563704488	-2.6550639293	-1.603502588	-0.422899
+H	-3.3364644009	-1.2745454312	 1.7652110675	 0.118296
+H	-4.3462497138	-1.2075906794	 0.3127864929	 0.121894
+H	-3.2732727594	-2.5877446696	 0.5687150705	 0.139299
+H	-2.9802655655	 1.1789914809	-0.7183432617	 0.105183
+H	-2.5840126212	 1.0790415117	 0.99577865	 0.111319
+H	-0.6379904937	 1.4484022194	-1.3155999839	 0.128146
+H	-0.5062992139	 2.0779933555	 0.3189883316	 0.130098
+H	-0.478775077	-2.1398673123	 0.5007735776	 0.103765
+H	-1.4170563973	-0.7226703726	-2.1029556139	 0.091253
+H	-1.30707756	-3.1123271523	-1.9998734552	 0.29465
+19
+0 2757	2.5832408	1.3855133	1.1128315	2.5665	76.73	-0.23107	-0.00737	0.2237	1155.5282	0.156475	-422.583951	-422.575225	-422.57428	-422.616908	33.344
+C	-1.7708366571	-2.6497024729	-2.0097398623	-0.416699
+C	-1.484976556	-1.2741681602	-1.4481840413	-0.055958
+C	-0.7262335889	-1.1938818128	-0.1061859134	-0.253194
+C	 0.0540286867	 0.0449473065	 0.1521609899	 0.418173
+O	 1.1733669841	 0.1129819208	 0.6001707703	-0.336674
+C	-0.8461813139	 1.2522227998	-0.1722285815	-0.346184
+C	-2.291601298	 0.7277605039	-0.0480062962	-0.284747
+C	-2.2015120637	-0.7861706716	-0.2444960943	 0.403644
+O	-3.2438533632	-1.5703527381	 0.2319977098	-0.465323
+H	-2.0676238737	-3.3441125025	-1.2214005342	 0.134699
+H	-2.5892743135	-2.6040190183	-2.7357116453	 0.12594
+H	-0.8892011143	-3.0521158032	-2.5182426535	 0.122808
+H	-1.2172551001	-0.5318209764	-2.1968529688	 0.091648
+H	-0.409386531	-2.1275543012	 0.3420699261	 0.103879
+H	-0.6129639166	 2.082527955	 0.4964652605	 0.128857
+H	-0.6243698484	 1.5915595969	-1.1911249361	 0.131633
+H	-2.6730662455	 0.9221360443	 0.9624391657	 0.099892
+H	-2.9901674389	 1.1908737843	-0.7519110459	 0.111628
+H	-3.3012695981	-1.4505257843	 1.1866437706	 0.285979
+19
+0 2758	2.5163799	1.4412324	1.1183042	2.7479	77.01	-0.23237	-0.01714	0.21523	1156.4669	0.155462	-422.569195	-422.560243	-422.559299	-422.602573	33.325
+C	-2.1463801279	-2.8137959242	-1.7413057842	-0.423725
+C	-1.721522172	-1.4320764403	-1.2973878381	-0.082414
+C	-0.8858606993	-1.3045570279	-0.001290209	-0.261679
+C	 0.019696977	-0.1281598685	 0.065952061	 0.392165
+O	 1.1980045624	-0.1023887097	 0.3179825062	-0.325051
+C	-0.8611946346	 1.1056048795	-0.1907866601	-0.20733
+O	-2.2132753901	 0.6789433003	-0.1475077603	-0.302173
+C	-2.2891296911	-0.739947933	-0.1016463738	 0.429508
+C	-3.483578993	-1.199888095	 0.6838848527	-0.467875
+H	-2.3923374121	-3.4595724532	-0.8937754684	 0.122608
+H	-3.028010797	-2.7606896999	-2.3891263629	 0.128964
+H	-1.3448435124	-3.302604675	-2.3047596355	 0.131216
+H	-1.4271790845	-0.773968293	-2.1116261343	 0.100198
+H	-0.6259856561	-2.2071285294	 0.5373606061	 0.109576
+H	-0.6832566827	 1.8612625751	 0.5821192499	 0.137572
+H	-0.6102176356	 1.5535178011	-1.1630827199	 0.12711
+H	-3.4199989848	-0.8440309066	 1.7162524442	 0.131661
+H	-4.3990506849	-0.7942150375	 0.241040995	 0.135458
+H	-3.5625402111	-2.288872063	 0.6956201314	 0.124212
+19
+0 2759	2.5897549	1.4232533	1.1110072	4.8338	75.96	-0.25597	0.01452	0.27048999999999995	1156.6329	0.156961	-422.598258	-422.589534	-422.588589	-422.631347	32.508
+C	-1.9893338777	-2.8543772302	-1.8048980487	-0.431757
+C	-1.6203471447	-1.4588124375	-1.3527531089	-0.048934
+C	-0.8250184456	-1.2796885918	-0.0610367588	-0.260928
+C	 0.0470229544	-0.0697850518	-0.0339642571	 0.454573
+O	 1.2270597447	 0.0093078011	 0.1474033246	-0.349468
+O	-0.7275690284	 1.0374695308	-0.2750131639	-0.235368
+C	-2.1254688872	 0.7279286722	-0.1859342491	-0.138289
+C	-2.2568540519	-0.794333707	-0.1647516992	 0.289133
+C	-3.4234040582	-1.3720574261	 0.5990744503	-0.491874
+H	-2.1811931488	-3.5252053733	-0.963157998	 0.122461
+H	-2.8865773351	-2.8400105529	-2.4331827958	 0.125762
+H	-1.1766525883	-3.2915953121	-2.393550438	 0.133395
+H	-1.3370826074	-0.794639383	-2.1675585321	 0.102149
+H	-0.5113569959	-2.1517098726	 0.497575797	 0.111704
+H	-2.5201013407	 1.1695411169	 0.737493906	 0.114122
+H	-2.630945013	 1.1927676498	-1.0390422969	 0.118861
+H	-3.419624415	-1.0238261982	 1.6375813789	 0.128116
+H	-4.3751618832	-1.0664052656	 0.1487385603	 0.127124
+H	-3.4040922482	-2.4637794086	 0.6154389995	 0.129217
+19
+0 2760	2.7058748	1.3841306	1.0627561	2.4944	77.63	-0.21364	0.025	0.23864	1176.4116	0.155917	-422.558702	-422.549881	-422.548937	-422.591449	34.226
+C	 1.2506828047	 0.6611426141	-0.2607844854	-0.496479
+C	-0.1339340649	 0.2207270418	 0.0995195809	 0.345664
+C	-1.2405540339	 0.9756552696	 0.1407739675	-0.189747
+C	-2.4795471299	 0.1924740419	 0.5105551433	-0.330342
+C	-1.9401700153	-1.1958921724	 0.8241218802	 0.435099
+O	-2.7860291193	-2.2588306774	 0.5487957917	-0.481223
+C	-0.9474256683	-1.3427753127	 1.9389449546	 0.006127
+O	-0.9668948975	-2.6294017467	 2.4969911539	-0.438442
+C	-0.4410131241	-1.1845352738	 0.5023243775	-0.297773
+H	 1.9512177726	 0.4970067592	 0.5679544972	 0.122468
+H	 1.6377521728	 0.0879448593	-1.1129226625	 0.126124
+H	 1.278910798	 1.7214385553	-0.526609383	 0.123703
+H	-1.2674151592	 2.0389967752	-0.0707930328	 0.086978
+H	-3.0212802463	 0.6233579192	 1.3616116622	 0.109729
+H	-3.1957538965	 0.1352201891	-0.3204869057	 0.119557
+H	-2.532360533	-2.9686237279	 1.155118913	 0.290806
+H	-0.7728745114	-0.5308238589	 2.6459099503	 0.090023
+H	-0.0608986185	-2.9386598556	 2.5974625965	 0.294674
+H	 0.0608654	-2.0339395294	 0.0478299207	 0.083053
+19
+0 2761	2.6652617	1.3959326	1.0407847	2.5831	77.7	-0.23844	-0.00588	0.23256000000000002	1197.94	0.154901	-422.553975	-422.544518	-422.543574	-422.587825	34.861
+C	-3.1868417654	 1.8998836919	 1.3156921068	-0.419011
+C	-2.0477688009	 0.9242216725	 1.0888647605	-0.08013
+C	-2.2295639657	-0.1802823615	 0.0963206219	-0.153759
+C	-1.0123042881	-1.1153567489	 0.1185523985	-0.117157
+C	-1.0039413094	-2.2904597148	-0.8530968399	-0.408111
+C	-0.2057500136	 0.1035313421	-0.410163589	 0.30749
+O	 0.7549908423	 0.1686036885	-1.1389853259	-0.352126
+C	-1.2893734019	 1.0899169869	-0.2020182494	 0.317556
+O	-1.4360671987	 2.2216624932	-0.9538537683	-0.450499
+H	-3.8821040831	 1.5021108309	 2.0611653485	 0.121652
+H	-2.8088335434	 2.8598550419	 1.6791492193	 0.133328
+H	-3.7397456375	 2.0907001102	 0.3927794816	 0.132607
+H	-1.4786682885	 0.694534583	 1.9905707892	 0.09051
+H	-3.1751611943	-0.3996101432	-0.382913484	 0.110955
+H	-0.7386483418	-1.4441753458	 1.1280842748	 0.087794
+H	-1.6790796531	-3.0832170216	-0.5167603903	 0.117357
+H	-1.3144459649	-1.9771870181	-1.8550476162	 0.120562
+H	 0.0038209718	-2.7065116015	-0.9345058278	 0.137627
+H	-0.9211400838	 2.0891712844	-1.7612263303	 0.303356
+19
+0 2762	2.6318086	1.3808888	1.0443061	3.1453	77.04	-0.24229	-0.01087	0.23142000000000001	1193.4459	0.154693	-422.552835	-422.543186	-422.542242	-422.587221	34.952
+C	-3.2558154387	-1.9380802161	-1.2297448957	-0.428657
+C	-2.1732626949	-0.8960841415	-1.0285605137	-0.068112
+C	-2.2804454733	 0.0696390541	 0.095226275	-0.141843
+C	-1.2117080238	 1.1589260751	-0.0953328741	 0.048828
+O	-1.1148077846	 2.1293405566	 0.9126744914	-0.450847
+C	-0.1941251237	 0.0108538664	 0.147619025	 0.299079
+O	 0.9032651069	 0.0909708325	 0.6434395502	-0.343309
+C	-1.1937686822	-1.0866216962	 0.1280473155	 0.206386
+C	-1.0407172821	-2.3426055201	 0.9387723141	-0.499154
+H	-3.7215213057	-2.232807508	-0.2857404395	 0.124633
+H	-4.0432648611	-1.5376147449	-1.8757975983	 0.13041
+H	-2.8568910822	-2.8390797597	-1.7065866613	 0.128959
+H	-1.7653171363	-0.5165152457	-1.9657094481	 0.091186
+H	-3.1367117914	 0.154856178	 0.7515676891	 0.117062
+H	-1.2362589197	 1.6275402777	-1.0884983982	 0.086986
+H	-0.2255568145	 2.0513070934	 1.2840751544	 0.297474
+H	-0.4223607431	-3.0752432926	 0.4082676047	 0.134755
+H	-0.5462907387	-2.1212260552	 1.8891219119	 0.140071
+H	-2.0027984609	-2.8136409039	 1.1526511677	 0.126093
+19
+0 2763	2.023068	1.5746101	1.264668	2.8616	76.55	-0.23188	-0.00489	0.22699	1126.8948	0.154795	-422.554845	-422.545289	-422.544345	-422.588921	34.9
+C	-0.9847319599	 2.1227046476	-1.1478090516	-0.412141
+C	-1.004867979	 1.1729193172	 0.0469585838	-0.106611
+C	-2.1777956649	 0.1733136777	 0.1053639077	-0.150261
+C	-1.9964767297	-0.7587043972	 1.2351480239	 0.049466
+O	-1.4346015546	-0.2907849454	 2.4258177279	-0.415068
+C	-1.1929142915	-1.0600836788	-0.0236139924	 0.132391
+C	-1.2691830527	-2.3671699173	-0.7611189321	-0.496555
+C	-0.0866851294	-0.0558509905	-0.1593985045	 0.369865
+O	 1.0448754792	-0.1620503534	-0.5493324753	-0.334706
+H	-1.1723619489	 1.5899444469	-2.0862840047	 0.117707
+H	-1.7458040759	 2.902167681	-1.0417542995	 0.118095
+H	-0.0071206009	 2.6057550338	-1.2279959324	 0.137247
+H	-0.8412465849	 1.7129760593	 0.9825134909	 0.109278
+H	-3.1223710274	 0.3049373535	-0.4086820082	 0.10409
+H	-2.807198452	-1.4765034982	 1.3764577625	 0.095383
+H	-0.9126104034	-1.0004586922	 2.8146665163	 0.292397
+H	-0.5503731169	-3.0865013228	-0.3533119687	 0.134655
+H	-2.2668775279	-2.8103660542	-0.6829323648	 0.12069
+H	-1.0355404194	-2.237334027	-1.8225020089	 0.134078
+19
+0 2764	2.1918055	1.4912831	1.4255268	1.69	75.97	-0.24066	0.00826	0.24892	1083.9453	0.154634	-422.54027	-422.53077	-422.529826	-422.574065	34.831
+C	-0.5430279053	-0.0884084506	-2.4722556073	-0.450663
+C	-1.5094867605	-0.0507148863	-1.3013649503	-0.026688
+C	-1.318652062	 0.9758353654	-0.1259164208	-0.199699
+C	-2.2225177569	 0.023199797	 0.738744673	-0.026604
+C	-2.1952805706	 0.0828210832	 2.2560549635	-0.450647
+C	-1.260141382	-0.9570781973	-0.035061456	 0.276146
+O	-1.240431122	-2.3285996693	 0.0219223764	-0.472697
+C	-0.1665481088	 0.0598183401	 0.3100316678	 0.364667
+O	 0.9612248559	 0.0833272414	 0.7030749746	-0.35038
+H	-0.6501624216	-1.0288260505	-3.023006442	 0.129735
+H	-0.7428629843	 0.7302036834	-3.1712962611	 0.122734
+H	 0.4997846456	-0.00618192	-2.1491785086	 0.134093
+H	-2.5524942964	-0.0990731591	-1.6289109092	 0.082419
+H	-1.3624590613	 2.0589610541	-0.1806345356	 0.096055
+H	-3.2436890803	-0.0272368339	 0.3486925148	 0.082417
+H	-2.6410153715	-0.8233165813	 2.6796604834	 0.129778
+H	-1.1763840675	 0.169420977	 2.6471667931	 0.134111
+H	-2.7697243015	 0.9388763562	 2.6246479093	 0.122698
+H	-0.370290319	-2.6034920194	 0.3336438546	 0.302526
+19
+0 2765	2.1428684	1.502953	1.4270024	2.4051	75.79	-0.24225	0.00287	0.24512	1079.1713	0.154922	-422.541042	-422.531684	-422.53074	-422.574662	34.642
+C	-0.9733819721	 0.0736110016	 2.437713733	-0.43931
+C	-1.411892388	 0.0743002181	 0.9826925632	-0.008999
+C	-0.6781954265	 0.9929810236	-0.0558155558	-0.233509
+C	-1.2734989195	 0.0293245993	-1.1411591743	 0.145894
+O	-0.7459456516	-0.033357981	-2.4308771951	-0.454178
+C	-0.7979112453	-0.9744246126	-0.0213801428	 0.139283
+C	-0.8887647544	-2.4719837812	-0.0117421139	-0.52386
+C	 0.4415927731	-0.0578937167	 0.0089957485	 0.369241
+O	 1.6339106312	-0.1360842075	 0.0015599011	-0.338833
+H	-1.4061613993	-0.7784964019	 2.9726175043	 0.12402
+H	 0.1152183187	 0.0148993218	 2.5382954305	 0.136223
+H	-1.3076168921	 0.9847934014	 2.9446007178	 0.125176
+H	-2.5014035314	 0.1381440943	 0.8898823573	 0.078689
+H	-0.6241329519	 2.0789312548	-0.0756665084	 0.093102
+H	-2.3590127132	 0.092581338	-1.2424736902	 0.098305
+H	 0.2177570358	-0.0549251703	-2.3881745199	 0.294215
+H	-0.3938834991	-2.8937818142	 0.8690137476	 0.132756
+H	-1.9310406854	-2.8075214241	-0.0097952492	 0.125587
+H	-0.4034687189	-2.8899071533	-0.8996571538	 0.136196
+19
+0 2766	3.1104798	1.3612187	1.0861109	0.8682	76.07	-0.24932	0.06986	0.31918	1143.2738	0.155611	-422.472972	-422.464136	-422.463192	-422.5077	32.92
+C	-0.1823191742	 0.0406188588	 0.0662240708	-0.477685
+C	 1.3407716669	 0.0336667408	 0.1791407755	 0.048548
+C	 2.1381698728	-0.2096884583	 1.5236586393	-0.251446
+C	 1.8456565627	 1.2607755503	 1.948977832	 0.186844
+O	 0.6046155407	 1.6367948208	 2.4861422213	-0.455713
+C	 2.1669582513	 1.3524366301	 0.4086203124	-0.229858
+C	 3.3220547599	 0.408678592	 0.7642377711	 0.560366
+C	 4.7542372929	 0.5269827454	 0.9817684535	-0.320375
+O	 4.196164287	-0.2417842609	-0.1176217077	-0.303426
+H	-0.6616793032	 0.8561123751	 0.6089752181	 0.129352
+H	-0.4660837871	 0.1546502281	-0.9854855754	 0.125392
+H	-0.6071201295	-0.9109367325	 0.4074355705	 0.11798
+H	 1.7490965776	-0.5772437326	-0.6312767054	 0.095979
+H	 2.142101429	-1.1003000556	 2.1544163216	 0.076599
+H	 2.6109841716	 1.7234865278	 2.5804948536	 0.083167
+H	-0.0045459647	 0.8979077593	 2.428222468	 0.291326
+H	 2.1979798455	 2.2426958716	-0.2190820122	 0.080331
+H	 5.2833103712	 1.4310266533	 0.6845491076	 0.121904
+H	 5.2458219497	-0.0665174536	 1.7510220353	 0.120715
+19
+0 2767	3.2973416	1.3470369	1.0992812	2.7187	76.29	-0.24163	0.06562	0.30725	1128.6566	0.157218	-422.489237	-422.481295	-422.480351	-422.521067	32.191
+O	-1.7785917308	 3.9410013837	-1.3015647763	-0.456653
+C	-1.015406877	 2.8426233891	-0.8223720564	 0.144463
+C	-1.715223646	 1.478024867	-0.5006666805	-0.265651
+C	-1.9366918169	 1.2969682601	-2.0505980442	 0.199013
+O	-2.9320906398	 1.9818283777	-2.7365237903	-0.459172
+C	-0.4759363503	 1.8717757829	-1.9067049284	-0.237723
+C	-0.327069366	 0.8681868719	-0.7496779899	 0.474909
+C	 0.8090604539	 0.5560473523	 0.1616486221	-0.375426
+C	 0.1737038901	-0.5317431467	-0.7035463359	-0.370241
+H	-2.2095787357	 4.3586256047	-0.5486343662	 0.290971
+H	-0.2811191031	 3.1813507613	-0.0825609742	 0.078762
+H	-2.4038362244	 1.2526111045	 0.3156491845	 0.069035
+H	-1.9772654669	 0.2550821773	-2.3764551741	 0.085511
+H	-2.8628575746	 2.9103931327	-2.4722257976	 0.286159
+H	 0.2464277225	 2.0962092515	-2.692354993	 0.076462
+H	 1.8049527286	 0.8946565754	-0.1068447521	 0.114818
+H	 0.6280519262	 0.5171485217	 1.2314332176	 0.112721
+H	 0.7507231226	-0.9083223967	-1.5423307179	 0.116517
+H	-0.4268223424	-1.2858608303	-0.2045562172	 0.115525
+19
+0 2768	2.8454154	1.363904	1.0804445	2.8681	76.84	-0.23629	-0.00294	0.23335	1158.8841	0.155453	-422.516793	-422.508025	-422.507081	-422.550022	32.905
+C	-0.1867588704	-0.0889717863	-0.2179535162	-0.439518
+C	 1.3224795808	 0.0372354588	-0.0854846958	 0.042599
+C	 2.0772042209	-0.3614427327	 1.2243968567	-0.121666
+C	 3.2663735398	 0.4764021137	 0.6511308736	 0.150199
+O	 4.2135145781	 1.0438949558	 1.5207997667	-0.432516
+C	 2.0105030647	 1.3512981529	 0.4133591735	-0.114946
+C	 1.5697737515	 0.9660093246	 1.8637240645	-0.056218
+C	 2.2708831801	 1.5120038696	 3.0854631593	 0.119904
+O	 2.4963837911	 0.8486441545	 4.0694227486	-0.279971
+H	-0.7397737353	 0.2926644321	 0.6437528319	 0.12262
+H	-0.5359942867	 0.4556072022	-1.1018610326	 0.122085
+H	-0.4680419895	-1.1393350805	-0.349646901	 0.123117
+H	 1.7982858234	-0.3671766665	-0.9869592774	 0.069643
+H	 2.1223111008	-1.3429343088	 1.6975686027	 0.081282
+H	 3.7457401472	 0.0637516767	-0.2456174902	 0.072849
+H	 4.62878875	 0.3444536803	 2.0369702752	 0.29585
+H	 1.9806506914	 2.3368352226	-0.053440535	 0.077391
+H	 0.4931355	 1.0229880418	 2.0541205998	 0.093331
+H	 2.4906601219	 2.6024818691	 3.0619449857	 0.073966
+19
+0 2769	2.6700799	1.3185331	1.1389057	0.4102	77.04	-0.23927	0.00612	0.24539	1152.16	0.156133	-422.558655	-422.549713	-422.548769	-422.591635	34.269
+C	-1.7403787415	-1.5441138101	 1.985746903	-0.487658
+C	-1.6172168624	-0.0457856246	 1.8534647464	 0.28426
+C	-2.8157092941	 0.8349414753	 1.9835506987	-0.137651
+C	-2.5348158664	 2.0076343264	 2.5617751421	-0.146115
+C	-1.0909641221	 2.0847717147	 3.0157074179	 0.088043
+O	-0.9602807525	 2.1990961344	 4.4306005432	-0.431366
+C	-0.4895346848	 0.7953286025	 2.4536726383	-0.205243
+C	-0.5480060203	 0.5692729635	 0.9636569002	 0.065234
+O	 0.3698931916	-0.3122710376	 0.3884203357	-0.430246
+H	-2.0787459888	-1.8289090558	 2.9878544874	 0.111699
+H	-2.4637611961	-1.9415376939	 1.2642126487	 0.118065
+H	-0.7801338208	-2.0252822028	 1.790395124	 0.136923
+H	-3.7873783646	 0.5399509914	 1.6003860612	 0.099647
+H	-3.2303260929	 2.8224372078	 2.725920069	 0.10051
+H	-0.5810445893	 2.9730285419	 2.6236253408	 0.091681
+H	-1.514947009	 1.5124338423	 4.8181829703	 0.274895
+H	 0.325525974	 0.3279257698	 2.9960027768	 0.091483
+H	-0.853484821	 1.3980186211	 0.3229023655	 0.086512
+H	 1.249303581	 0.0697554237	 0.4782177608	 0.289328
+19
+0 2770	2.707385	1.3225329	1.1231962	1.1338	77.4	-0.23178	0.00688	0.23866	1163.8545	0.156029	-422.556807	-422.547905	-422.546961	-422.589737	34.269
+C	 1.3105902669	-0.8488655329	-1.2500352584	-0.417321
+C	 0.9607570129	-0.0027578115	-0.0459154282	-0.048342
+C	 1.691008683	-0.2385935371	 1.2623383742	-0.189645
+C	 1.0064866881	 0.1678540109	 2.5701288311	 0.065649
+O	 1.7890654012	-0.1036550162	 3.7296092241	-0.437708
+C	 0.8334858074	 1.6654050541	 2.4290031845	-0.085219
+C	 1.3572126574	 2.1269884185	 1.2912557613	-0.166563
+C	 1.940864617	 1.0325112072	 0.4617118468	 0.38111
+O	 3.0773129329	 1.2761815538	-0.3062942436	-0.471328
+H	 0.7967225753	-1.8155868805	-1.2091873381	 0.111736
+H	 1.0155393578	-0.3495393867	-2.1786826535	 0.121432
+H	 2.3864204603	-1.0306830959	-1.302249237	 0.128535
+H	-0.0887091635	 0.2753714132	 0.0307103452	 0.082714
+H	 2.436469473	-1.0263998951	 1.291457025	 0.083455
+H	 0.0212313346	-0.319101527	 2.6628029555	 0.073222
+H	 1.7433122614	-1.0505578705	 3.8980101457	 0.279822
+H	 0.3091418771	 2.247694312	 3.1770750396	 0.101919
+H	 1.3483499163	 3.1573035405	 0.9530423716	 0.101723
+H	 3.8021459012	 1.4758931833	 0.2965742441	 0.284809
+19
+0 2771	2.7578297	1.3313105	1.1364215	1.7027	77.13	-0.21015	0.01652	0.22667	1154.8321	0.156281	-422.554095	-422.54545	-422.544505	-422.586691	33.873
+C	 1.344015687	 1.1905248205	-0.0966458661	-0.397331
+C	 1.0745877684	-0.3204150404	-0.0268603396	-0.042474
+C	 1.6452772842	-1.0695986942	-1.221339305	-0.089842
+C	 2.5947146903	-1.9449719514	-0.8796459835	-0.146246
+C	 2.7652233875	-2.0130293135	 0.5922115569	 0.385102
+O	 4.0290955703	-2.2705856691	 1.103875247	-0.485113
+C	 1.5459709491	-2.4695637167	 1.3718147346	-0.012544
+O	 1.8087794689	-2.8947977954	 2.6876195704	-0.437258
+C	 1.7661352466	-0.9952435417	 1.1585454959	-0.158122
+H	 0.9222418454	 1.703235135	 0.7744807908	 0.11345
+H	 2.4199819757	 1.3894095022	-0.1240551873	 0.125731
+H	 0.8966328618	 1.6279225715	-0.9951569001	 0.111521
+H	-0.0128430475	-0.4741752467	 0.0273790617	 0.081787
+H	 1.2928131611	-0.8900108882	-2.2310684688	 0.094531
+H	 3.1605606411	-2.5788836045	-1.5522217883	 0.100584
+H	 3.8896231904	-2.549842721	 2.0194394503	 0.279328
+H	 0.7246661438	-2.9788026376	 0.8665087551	 0.088082
+H	 1.9225104813	-3.8516308542	 2.6658920578	 0.293945
+H	 2.0125805548	-0.4185389146	 2.0438104782	 0.094868
+19
+0 2772	2.6137572	1.3462594	1.0667795	2.6825	78.08	-0.2393	-0.03338	0.20592000000000002	1199.6962	0.154326	-422.531608	-422.522353	-422.521408	-422.565355	33.875
+C	 2.0648742469	-3.5739542903	 1.8937797381	-0.430314
+C	 1.4394931582	-2.5581446828	 0.9645780441	-0.079265
+C	 1.7280061837	-1.1010676195	 1.1800303002	-0.17543
+C	 0.9670647057	-0.2534065343	 0.1597500175	 0.119307
+C	 1.4082761427	 1.1886106846	 0.0250379978	-0.402163
+O	 1.4713759069	-1.0702990903	-0.9470260911	-0.334229
+C	 2.295111483	-1.8154820879	-0.0497923812	 0.341117
+C	 3.6748602998	-2.1151543743	-0.4599787763	 0.062961
+O	 4.5266758921	-2.6044919875	 0.246633575	-0.27237
+H	 1.4713276106	-3.6639023058	 2.8099215074	 0.119342
+H	 2.1052667187	-4.5592355253	 1.4197480373	 0.128362
+H	 3.0862564939	-3.2953498383	 2.1579780713	 0.151677
+H	 0.4508788624	-2.8113007065	 0.584010771	 0.099815
+H	 2.2760056406	-0.7301481744	 2.0371750079	 0.115311
+H	-0.1260583108	-0.3273530858	 0.219520182	 0.086698
+H	 1.0554878608	 1.7750860161	 0.8805134194	 0.120247
+H	 2.4990019882	 1.2595229131	-0.0217909897	 0.125893
+H	 0.9925229287	 1.6257739395	-0.8873392956	 0.132812
+H	 3.8763652279	-1.8333479805	-1.5171287351	 0.090227
+19
+0 2773	2.0297213	1.4958966	0.9937874	4.5576	78.38	-0.24129	-0.01812	0.22317	1230.5403	0.155335	-422.54259	-422.533465	-422.532521	-422.576265	33.85
+C	 1.0199951409	 1.0963055612	 0.1583583289	-0.430966
+C	 0.9146792044	-0.413265985	 0.0825308785	-0.06296
+C	 1.833391642	-1.244729502	 0.9075671475	-0.158294
+C	 1.4336019356	-2.7315935533	 0.8564349731	 0.132968
+O	 2.3849802749	-3.6223267482	 1.3924192142	-0.43117
+C	 1.5518597195	-2.7092484847	-0.6925975627	-0.314387
+C	 1.9714649871	-1.2372801824	-0.6463571452	 0.26124
+C	 3.0548245721	-0.6710129616	-1.4544411785	 0.046045
+O	 3.6175504543	-1.2718996133	-2.3421012073	-0.272654
+H	 0.381932589	 1.4752380259	 0.9633793117	 0.126882
+H	 2.0411944264	 1.4272655864	 0.3672179159	 0.125399
+H	 0.6973744355	 1.5681310086	-0.7750569074	 0.13081
+H	-0.1060949353	-0.7740824967	-0.0491584583	 0.090093
+H	 2.5171166307	-0.8056184358	 1.6265025218	 0.098674
+H	 0.4288648072	-2.9355403379	 1.2555620389	 0.067998
+H	 2.348990662	-3.5589761059	 2.3526319647	 0.283019
+H	 2.370966803	-3.3535707241	-1.0137596176	 0.145132
+H	 0.6509832964	-2.9433580428	-1.2664457473	 0.099191
+H	 3.3516115844	 0.3692647116	-1.195418101	 0.06298
+19
+0 2774	2.25854	1.4035406	1.0630444	2.2443	77.99	-0.24365	-0.02557	0.21808	1197.9167	0.155365	-422.543031	-422.533927	-422.532982	-422.576696	33.751
+C	 2.1411861023	 1.6551770031	 0.6098801537	-0.413033
+C	 1.6559260452	 0.2780651811	 0.1777919558	 0.038024
+C	 2.4592023997	-0.3530639543	-1.0073560926	-0.325882
+C	 2.9447650266	-1.4807580181	-0.0915534401	 0.184427
+C	 4.2915500869	-2.0561000871	-0.0156516198	 0.042077
+O	 4.6595109088	-2.8415411727	 0.8314711408	-0.28127
+C	 1.7620608982	-2.1889363112	 0.561934493	 0.059272
+O	 0.5552468093	-2.3487124264	-0.1152198201	-0.415485
+C	 2.1139918243	-0.8658701057	 1.0985639111	-0.127347
+H	 1.6542828425	 1.972593952	 1.5384662669	 0.118853
+H	 3.2235402405	 1.658043555	 0.7832085353	 0.116319
+H	 1.9211682742	 2.4044921669	-0.1577526522	 0.118356
+H	 0.5742451314	 0.2881021539	 0.0189335721	 0.093235
+H	 1.8733002095	-0.6672666427	-1.8750374135	 0.099789
+H	 3.2739757277	 0.2952812203	-1.3419088356	 0.105638
+H	 4.9885717688	-1.7083179819	-0.8132564637	 0.065565
+H	 2.0813865034	-3.0321193491	 1.1729849338	 0.120176
+H	 0.6417768419	-3.1008644034	-0.7105343023	 0.292821
+H	 2.4704737188	-0.7437964195	 2.1157122174	 0.108466
+19
+0 2775	2.5019795	1.4001662	1.2178622	2.2211	76.85	-0.22941	-0.01675	0.21266000000000002	1124.9083	0.154732	-422.551476	-422.542168	-422.541224	-422.584966	34.791
+C	-1.3852351969	-0.7855464484	-2.6121898019	-0.450996
+C	-1.8860904533	-1.0915655507	-1.2100311985	 0.309956
+C	-2.9173372191	-2.2117500866	-1.1831041173	-0.452452
+C	-2.0779917816	-0.0573029453	-0.1476558696	-0.111478
+C	-0.9413358767	-1.1232588472	 0.0002592183	-0.228426
+C	 0.0698824704	-0.0280395557	-0.1197065486	 0.360495
+O	 1.2669048218	 0.0374255162	-0.060080854	-0.327536
+C	-1.0426096992	 1.0630018977	-0.1789571761	-0.015545
+O	-1.1189334668	 1.985502333	-1.238045889	-0.425878
+H	-0.8927012898	-1.6673738964	-3.0369098806	 0.115258
+H	-2.2292608377	-0.5288399909	-3.2623584989	 0.118438
+H	-0.6883105089	 0.0511035673	-2.6377912099	 0.140323
+H	-3.2576801668	-2.4294427787	-0.1663869366	 0.116827
+H	-3.791928257	-1.9358505916	-1.7823782478	 0.125319
+H	-2.5017459849	-3.1326265001	-1.6056409785	 0.12492
+H	-2.9874590875	-0.0128825696	 0.4388797233	 0.098186
+H	-0.8813065993	-1.9972798609	 0.637235819	 0.10774
+H	-1.0265784563	 1.5743377849	 0.7987203981	 0.099094
+H	-0.3138067802	 2.5153063331	-1.2199265015	 0.295755
+19
+0 2776	2.7905565	1.250999	1.1046545	2.4652	77.12	-0.23404	-0.01021	0.22383	1187.8336	0.154485	-422.552689	-422.543414	-422.54247	-422.586137	34.968
+C	-0.8845906697	 1.9415193053	-1.1802131695	-0.405598
+C	-0.9365724849	 1.0634871278	 0.0699939612	-0.143283
+C	-2.0408405444	-0.0083625728	 0.0737389039	-0.091844
+C	-0.9717922557	-1.1545355796	 0.0303927277	-0.25744
+C	 0.0893074907	-0.106792629	-0.012621877	 0.405658
+O	 1.2692138888	-0.1252468641	-0.2350665317	-0.333513
+C	-1.9331004962	-0.9368219058	 1.2201203069	 0.396785
+C	-1.4657147258	-0.5776989501	 2.6130536495	-0.466753
+O	-2.9909371805	-1.8588052918	 1.2127372009	-0.465349
+H	-0.9650109607	 1.3388831589	-2.0909811222	 0.123765
+H	-1.7005926493	 2.6708026893	-1.1812750703	 0.119296
+H	 0.0643291207	 2.4831214726	-1.2188439611	 0.137279
+H	-0.8809810642	 1.6863268985	 0.9685388348	 0.090482
+H	-2.9467559899	 0.0347331364	-0.5175982525	 0.110345
+H	-0.9825800018	-2.1093894542	-0.4807657363	 0.107782
+H	-1.1080033377	-1.4748467597	 3.1324698448	 0.116712
+H	-0.6441395714	 0.1408199457	 2.6063582078	 0.137173
+H	-2.2955405578	-0.1589864587	 3.1913020824	 0.132319
+H	-2.7039736102	-2.6448908188	 1.6910293407	 0.286185
+19
+0 2777	3.8552265	0.9215004	0.8089899	3.3052	78.33	-0.24882	-0.02095	0.22787000000000002	1416.424	0.155374	-422.53899	-422.529911	-422.528966	-422.572797	33.522
+C	 0.1363612822	-0.1044118887	-0.2159513152	-0.413728
+C	 1.6293381569	 0.0497545749	 0.0480942804	-0.04635
+C	 2.0773882564	-0.3765553455	 1.4593062465	-0.067422
+C	 3.5517201784	-0.0610649167	 1.6399503688	-0.123272
+C	 4.1688229273	-0.5358115354	 2.8990693238	 0.155977
+O	 5.3139193948	-0.8959492697	 3.0124943764	-0.269409
+C	 2.5060206875	 1.0348689442	 1.7905339033	-0.121329
+C	 2.0973287064	 1.5226580046	 0.3889468596	 0.129919
+O	 1.1163398069	 2.5273494663	 0.3505323077	-0.425211
+H	-0.4720080494	 0.2733486301	 0.6142277821	 0.102229
+H	-0.1602790148	 0.4318606928	-1.1214458208	 0.135063
+H	-0.1197340341	-1.1609768233	-0.3428480151	 0.123529
+H	 2.1946655333	-0.4237420835	-0.7624545923	 0.078625
+H	 1.5855847222	-1.11449413	 2.0841813862	 0.095286
+H	 4.218329376	-0.0616924577	 0.7807621089	 0.102795
+H	 3.4728750473	-0.5392117351	 3.7726502738	 0.06436
+H	 2.4150813082	 1.606217616	 2.7080872152	 0.099877
+H	 2.9195169335	 1.9016502852	-0.2250922561	 0.096606
+H	 0.3813010511	 2.2644722515	 0.9146880368	 0.282455
+19
+0 2778	3.2913407	1.0985116	0.9636808	2.8885	77.23	-0.24623	-0.02255	0.22368	1259.0845	0.154825	-422.536519	-422.527328	-422.526384	-422.570463	33.87
+C	 0.3885245087	 0.7453545319	-3.4036960911	-0.501248
+C	 0.1018639735	 1.1534871178	-1.9888623887	 0.347691
+C	 1.026167074	 2.0178497058	-1.1170319359	-0.318638
+C	 0.6627128093	 1.1602282625	 0.1299884381	-0.105261
+C	 1.8000767393	 0.3459652881	 0.697106898	 0.140157
+O	 2.9290782657	 0.3332243946	 0.2771218698	-0.237256
+C	-0.2747493512	 0.3119112519	-0.753718536	-0.16805
+C	-1.2865104436	 1.2166203698	-1.4196290497	 0.050307
+O	-2.258605466	 0.595060351	-2.206914284	-0.430448
+H	-0.379038415	 0.0615366337	-3.7723745657	 0.137524
+H	 0.4021874487	 1.6215057562	-4.0633855724	 0.11967
+H	 1.3644867828	 0.2548029557	-3.4820999719	 0.121872
+H	 2.0823471603	 1.8942318112	-1.3648671876	 0.135293
+H	 0.7835650904	 3.0838658691	-1.0635974151	 0.095102
+H	 0.1557506653	 1.6670609611	 0.9630011639	 0.082113
+H	 1.5078683216	-0.2972001624	 1.5595398373	 0.075771
+H	-0.4518448124	-0.7551976548	-0.6698434796	 0.089992
+H	-1.6258217491	 2.1202591801	-0.9032515646	 0.075587
+H	-2.8985778923	 0.1788860765	-1.6202526349	 0.28982
+19
+0 2779	3.4428544	1.0001317	0.8824902	3.7859	77.53	-0.24246	-0.02009	0.22237	1348.4481	0.154699	-422.53782	-422.528484	-422.52754	-422.572029	34.142
+C	 2.3007212254	 1.4781342535	 0.4398459823	-0.43266
+C	 1.5063869335	 0.1911162916	 0.3655230944	-0.075995
+C	 2.0769572137	-1.018193748	 1.0818255103	-0.13611
+C	 1.0544608922	-2.1703133084	 1.0447412266	-0.083123
+C	 1.1047499891	-2.113848253	-0.530829113	-0.333258
+C	 2.0841106262	-0.9419136099	-0.4410276087	 0.398251
+O	 3.181455698	-0.7955429469	-1.2697979582	-0.458676
+C	 1.5876590096	-3.4704268507	 1.5817637722	 0.155184
+O	 1.0274452882	-4.1672645389	 2.38845209	-0.257728
+H	 2.0834876782	 2.0191621749	 1.3662310786	 0.12442
+H	 3.3754896404	 1.281946153	 0.4020663251	 0.133346
+H	 2.0545279799	 2.1425753884	-0.3963914998	 0.114156
+H	 0.4238060286	 0.3235381827	 0.3767066285	 0.078197
+H	 2.8910424837	-0.9190353558	 1.7902748191	 0.099418
+H	 0.0850587204	-1.9611175351	 1.5046290425	 0.088553
+H	 1.5815506782	-3.0043943606	-0.9505912441	 0.118342
+H	 0.1513838412	-1.9431161474	-1.0405831465	 0.102808
+H	 2.9425622838	-0.2111795293	-1.9982312151	 0.288991
+H	 2.5803231397	-3.7599989801	 1.1610845558	 0.075885
+19
+0 2780	3.207885	1.0771008	0.9345996	3.255	77.32	-0.23717	-0.03216	0.20501	1309.216	0.15389	-422.528354	-422.518936	-422.517992	-422.56282	34.012
+C	 1.1864077348	-0.8984311561	-1.0573621921	-0.427997
+C	 0.9420600187	-0.03047548	 0.1584234884	-0.074307
+C	 1.8439967293	-0.2682952088	 1.3632553066	-0.198563
+C	 1.3827515895	 0.6399128415	 2.5022017067	 0.008025
+O	 1.412066896	 1.7985156198	 1.630490111	-0.332526
+C	 1.9491531561	 1.0107950445	 0.5467210027	 0.456069
+C	 2.9931643288	 1.6623297535	-0.2983070675	-0.494563
+C	 2.4170629667	 0.7699711792	 3.6042967186	 0.144897
+O	 2.3717004798	 0.1570504174	 4.6381628176	-0.24329
+H	 0.650743471	-1.8491194227	-0.9677424691	 0.127878
+H	 0.8437464571	-0.404118426	-1.9724269917	 0.126281
+H	 2.2484874555	-1.1328832581	-1.1815288932	 0.119195
+H	-0.1022013117	 0.2106760043	 0.3518705607	 0.092114
+H	 2.4990272562	-1.1251377075	 1.4523562757	 0.108348
+H	 0.3939840772	 0.44723174	 2.9335547054	 0.104079
+H	 3.8410141986	 1.9945913658	 0.3084192047	 0.129979
+H	 3.3612857367	 0.9782369032	-1.0666622168	 0.130374
+H	 2.5721762344	 2.5406978718	-0.8008862381	 0.137346
+H	 3.2426543751	 1.4754976883	 3.3593934806	 0.086661
+19
+0 2781	2.1538356	1.5292782	1.032846	4.4226	76.32	-0.23359	-0.00725	0.22633999999999999	1197.6037	0.156658	-422.583731	-422.575037	-422.574093	-422.616944	32.923
+C	-2.0401597557	-2.6168257468	-1.9474913808	-0.421087
+C	-1.650720688	-1.2601404598	-1.4024956745	-0.02769
+C	-2.297349989	-0.7318710189	-0.1645867576	-0.089123
+C	-0.8544666876	-1.2045061836	-0.096758121	-0.150975
+C	 0.0002836534	 0.0086995917	 0.0792124369	 0.425127
+O	 1.161214097	 0.0263719311	 0.4026283902	-0.336426
+C	-0.8758884378	 1.2457678504	-0.1871121901	-0.355975
+C	-2.3234370733	 0.7859437726	 0.0384991102	 0.114005
+O	-2.647471702	 1.1173593542	 1.3838347596	-0.432837
+H	-2.3058522256	-3.3062472377	-1.1398062223	 0.120679
+H	-2.9040153112	-2.5356247846	-2.6162266993	 0.123815
+H	-1.2178974316	-3.0658522276	-2.5138379408	 0.129901
+H	-1.3764392189	-0.5362832796	-2.1666751341	 0.092525
+H	-3.0918263087	-1.3148151877	 0.2927785968	 0.08356
+H	-0.5412647793	-2.1347214881	 0.3604840545	 0.103082
+H	-0.6102263943	 2.0596082667	 0.4888598258	 0.144898
+H	-0.7086292864	 1.5958767212	-1.2113390355	 0.126232
+H	-3.0263043597	 1.2715172346	-0.6547048523	 0.068649
+H	-3.5232766514	 0.7670772018	 1.5767351343	 0.281643
+19
+0 2782	2.2302589	1.5564115	1.0302519	4.6464	76.2	-0.25734	0.01491	0.27225	1203.1531	0.156996	-422.60169	-422.593101	-422.592157	-422.63477	32.207
+C	-2.181351173	 2.8564276606	 1.6301533157	-0.425602
+C	-1.7156289699	 1.460842666	 1.2822986262	-0.026649
+C	-2.3877349948	 0.6917290892	 0.1889578146	-0.070445
+C	-0.997565617	 1.2389095814	-0.042895015	-0.201899
+C	-0.085189612	 0.0571677053	-0.0676266443	 0.439122
+O	 1.0872193514	 0.0160265945	-0.3062659936	-0.351483
+O	-0.8038534973	-1.0652115039	 0.2505484843	-0.241924
+C	-2.2298199543	-0.8240195161	 0.227286046	 0.100495
+C	-2.8414598015	-1.5300270518	-0.9748656555	-0.400127
+H	-3.001223267	 2.8243265643	 2.3556186602	 0.126097
+H	-1.3690646293	 3.4465006596	 2.0663381352	 0.132329
+H	-2.5412080934	 3.3869322055	 0.7426095516	 0.119948
+H	-1.3455671811	 0.8788193512	 2.1239608975	 0.105718
+H	-3.2545282871	 1.1083850475	-0.3112713018	 0.098766
+H	-0.7590778502	 2.0842278678	-0.6741657874	 0.114456
+H	-2.6271381892	-1.2492863485	 1.1562242155	 0.096729
+H	-2.5918171458	-2.5937645791	-0.9582073192	 0.136379
+H	-3.9315915433	-1.4282788331	-0.9588367336	 0.119538
+H	-2.4656177952	-1.1004929504	-1.9087610663	 0.128554
+19
+0 2783	2.1160004	1.5353352	1.0278309	2.2293	76.01	-0.23417	-0.01056	0.22360999999999998	1193.6816	0.156673	-422.57987	-422.571271	-422.570327	-422.612916	32.899
+C	-2.950209236	-1.2398087706	-1.2069224408	-0.395651
+C	-2.3742681254	-0.8503188199	 0.1598509314	-0.005576
+C	-0.8982230019	-1.291836892	 0.3063576346	-0.358035
+C	-0.0489503997	-0.0612798218	-0.0552383751	 0.416341
+O	 1.0873226262	-0.0845476624	-0.4623270573	-0.337562
+C	-0.8940808648	 1.1494657822	 0.1459749449	-0.205914
+C	-1.633936645	 1.2369115723	 1.4922549799	 0.073336
+O	-2.056268499	 2.4988529734	 1.9006069624	-0.42455
+C	-2.3375291963	 0.6753490571	 0.3176219015	-0.054975
+H	-2.9603939662	-2.3271329247	-1.3310766067	 0.117635
+H	-3.9769343697	-0.876946754	-1.3204344442	 0.117115
+H	-2.3526932546	-0.8146314144	-2.0213149509	 0.124895
+H	-2.9966005212	-1.295858966	 0.9445854002	 0.080196
+H	-0.6565108263	-1.5811486938	 1.3368763887	 0.125255
+H	-0.6282056529	-2.1375087891	-0.3299741278	 0.127252
+H	-0.6217424114	 2.0830775709	-0.3290128863	 0.107598
+H	-1.3197494201	 0.5714409868	 2.2970107591	 0.095152
+H	-1.3006751207	 2.9624454827	 2.2776540441	 0.293396
+H	-3.1500807053	 1.2656766632	-0.091824468	 0.10409
+19
+0 2784	2.2561141	1.5753067	1.3871293	2.782	75.92	-0.23392	-0.01023	0.22369	1058.7278	0.154886	-422.551628	-422.542391	-422.541447	-422.584959	34.753
+C	-0.9348853572	 2.2181464262	 1.2247491449	-0.456992
+C	-1.0734050631	 1.1484914923	 0.143675881	 0.174463
+C	-1.0762069319	 1.7864823645	-1.2567944417	-0.429091
+C	-2.1947583194	 0.084841393	 0.2604995544	-0.121908
+C	-2.0057765954	-0.8628569572	 1.3812158794	 0.088203
+O	-1.4814115102	-0.4522756123	 2.609375539	-0.411651
+C	-1.1486688247	-1.0811632908	 0.1479139825	-0.262088
+C	-0.0673095875	-0.0354967498	 0.1077673453	 0.400591
+O	 1.1191526975	-0.0866554663	-0.0576877992	-0.334567
+H	-0.9380624175	 1.7824842074	 2.222860735	 0.14618
+H	 0.0009789599	 2.7692305756	 1.08285104	 0.123146
+H	-1.7574281234	 2.9395009479	 1.1563000672	 0.109472
+H	-1.1812224784	 1.035603044	-2.0466498693	 0.117537
+H	-1.9055275242	 2.4960507005	-1.3493761399	 0.116117
+H	-0.1408626077	 2.3273791321	-1.4255667951	 0.134312
+H	-3.1388096561	 0.1545683869	-0.2671386502	 0.100851
+H	-2.7999093235	-1.6066748654	 1.4687284835	 0.102637
+H	-0.9187300364	-1.1578113853	 2.9463781964	 0.294406
+H	-1.1672146208	-2.0152802933	-0.4009268632	 0.108382
+19
+0 2785	2.598533	1.3317683	1.1125627	2.6691	76.95	-0.23285	-0.01315	0.2197	1184.4452	0.154454	-422.554767	-422.545331	-422.544387	-422.588428	35.094
+C	-3.0116615795	 2.11127075	 1.1334106069	-0.4213
+C	-1.9423168757	 1.0393178048	 1.0750896158	-0.032992
+C	-1.0453227198	 1.0449381279	-0.1625024528	-0.190654
+C	-2.1002398503	-0.076267152	 0.1086352307	-0.083487
+C	-0.9994695679	-1.136154832	 0.2847038266	 0.286264
+C	-0.9007121391	-1.9304194254	 1.5763237433	-0.452894
+O	-1.0131418235	-1.9992761863	-0.8450907047	-0.4785
+C	 0.0192182586	 0.013326844	-0.034490004	 0.353845
+O	 1.1811436271	-0.0466810425	-0.3363353331	-0.342009
+H	-3.8186397346	 1.8132555429	 1.8105889985	 0.128042
+H	-2.5996947353	 3.0583415104	 1.4955220402	 0.12904
+H	-3.4495098107	 2.2890826913	 0.1462310758	 0.123769
+H	-1.4755833848	 0.834241384	 2.0357058323	 0.095805
+H	-1.0631581762	 1.8759624552	-0.8573366793	 0.109007
+H	-3.0042234796	-0.2505686404	-0.4605100901	 0.111382
+H	-1.7014669814	-2.6752146635	 1.6166927394	 0.128889
+H	 0.0587781414	-2.4574416391	 1.6137536826	 0.126369
+H	-0.9664896422	-1.2949020632	 2.4639303308	 0.117407
+H	-0.0993073167	-2.261054496	-1.0118578088	 0.292018
+19
+0 2786	1.9383217	1.6052152	0.9689245	0.7812	77.89	-0.23522	0.01215	0.24737	1234.6886	0.156142	-422.560605	-422.551634	-422.55069	-422.593818	34.127
+C	 1.2569511844	 0.6802778999	 0.3554378485	-0.495825
+C	-0.0846842534	 0.0288490579	 0.2331638776	 0.327594
+C	-0.3497674956	-1.2829369651	 0.1393834144	-0.255043
+C	-1.8311982369	-1.5821753529	 0.0801193431	 0.097353
+O	-2.294472192	-2.3244783647	 1.2071211861	-0.43235
+C	-2.4610258512	-0.1897375952	-0.0181479219	-0.152347
+C	-2.0754167424	 0.6909354879	-1.1763790992	 0.097036
+O	-2.9197778185	 1.7505519	-1.5146157306	-0.432289
+C	-1.3412152381	 0.8314293799	 0.1378849968	-0.163255
+H	 1.306371303	 1.3093817221	 1.2529861476	 0.128899
+H	 2.0617317627	-0.0571882447	 0.4108879463	 0.125638
+H	 1.4521198699	 1.3415929662	-0.4976427963	 0.134931
+H	 0.3931881585	-2.0728753743	 0.1265568925	 0.091884
+H	-2.0979029787	-2.2067509285	-0.7810966162	 0.089067
+H	-1.9382723366	-1.8893329945	 1.9901635771	 0.273362
+H	-3.4348789921	-0.030697002	 0.4303889109	 0.09461
+H	-1.523228504	 0.2490988238	-2.0077811101	 0.08799
+H	-3.7183873595	 1.3823486414	-1.907707602	 0.287918
+H	-1.4620629692	 1.7633409829	 0.6791009655	 0.094827
+19
+0 2787	2.0694288	1.4442363	1.0000733	3.6027	75.98	-0.23975	-0.02154	0.21821	1230.3201	0.154561	-422.531522	-422.522135	-422.521191	-422.565939	33.987
+C	 0.9380900187	-0.3465671634	-1.0193946052	-0.413498
+C	 0.9838188936	 0.2439119529	 0.3837879028	-0.004057
+C	 1.7854775764	 1.5508634604	 0.5111537045	-0.12331
+C	 1.8892325305	 1.9888060484	 1.9388216367	 0.145958
+O	 2.473551934	 3.22403017	 2.2329974573	-0.440936
+C	 2.789645543	 0.8722604947	 1.4694319453	-0.150663
+C	 2.0043832583	-0.4521869255	 1.342087747	-0.113679
+C	 1.5170466612	-1.0127417461	 2.6514367766	 0.153196
+O	 0.3696571093	-1.0057313059	 3.0235629262	-0.252542
+H	 0.5152729286	-1.3567215743	-1.0038124156	 0.121704
+H	 0.3185090672	 0.2665892722	-1.6825213491	 0.119628
+H	 1.9405872612	-0.4048160448	-1.4587033513	 0.11344
+H	-0.024523834	 0.2974259738	 0.8057174797	 0.097431
+H	 1.9841075993	 2.2388854774	-0.3047027445	 0.084286
+H	 1.0788971495	 1.7960089279	 2.6374495875	 0.121613
+H	 3.108624277	 3.4408399717	 1.5421095729	 0.284184
+H	 3.8679008662	 0.9666135298	 1.5312457456	 0.090496
+H	 2.5993345155	-1.2164432187	 0.8280005794	 0.092484
+H	 2.3255579947	-1.4201216006	 3.3034093844	 0.074266
+19
+0 2788	2.7914091	1.1752874	0.9301044	1.6495	77.07	-0.24902	-0.02566	0.22336	1291.8248	0.155069	-422.539126	-422.529865	-422.52892	-422.57353	33.631
+C	 1.3227111775	-0.4849484146	-1.1471204468	-0.427413
+C	 0.9876602283	 0.0646284949	 0.222685422	-0.005888
+C	 1.6980756563	 1.320622812	 0.6575002253	-0.058739
+C	 2.0351541637	-0.0316076982	 1.2958234822	-0.076454
+C	 1.4391124461	 0.4366252804	 2.6425553069	-0.151548
+C	 2.4266629697	 0.4432814828	 3.7803485828	 0.127842
+O	 2.989450821	 1.4198814599	 4.2097506568	-0.242407
+C	 1.1554506886	 1.8322140164	 1.9828470897	 0.085198
+O	-0.1784495143	 2.2843523076	 1.9244365935	-0.437335
+H	 1.1167389508	-1.5589923222	-1.2050708709	 0.119632
+H	 0.7329396845	 0.0126000579	-1.924161548	 0.125269
+H	 2.3812195044	-0.3352657119	-1.3861023919	 0.116184
+H	-0.0530391629	-0.0526894394	 0.5181149051	 0.09486
+H	 2.2818963087	 1.9076143414	-0.0416007474	 0.086346
+H	 2.9342362992	-0.6259354121	 1.1830123719	 0.090682
+H	 0.5523372933	-0.1347965579	 2.9469690079	 0.088467
+H	 2.6297966546	-0.5624857371	 4.2159102316	 0.078114
+H	 1.8207470835	 2.576873213	 2.4325534387	 0.100938
+H	-0.3960980129	 2.691989507	 2.7686538406	 0.286252
+19
+0 2789	3.4220441	1.145198	1.0061891	1.6043	75.34	-0.20706	0.06694	0.274	1222.0228	0.154675	-422.476164	-422.467101	-422.466157	-422.509096	34.867
+C	-1.0555891808	 2.3620665187	 4.6630771975	-0.497595
+C	-1.4441392605	 1.8573604614	 3.3055216121	 0.335778
+C	-2.6208204873	 2.3842973337	 2.5299342444	 0.018866
+O	-3.4972576924	 3.1402998398	 3.3199074304	-0.438572
+C	-2.5634821686	 0.9061659128	 2.8748045535	-0.172004
+C	-1.5685363257	 0.0923148532	 2.0184382684	-0.130922
+C	-0.8430941818	 0.8863673834	 0.9647975628	 0.131188
+O	 0.0557497294	 0.1917771804	 0.1467770844	-0.448428
+C	-0.4480847355	 1.0678344	 2.4108796099	-0.194539
+H	-0.6321841002	 1.5596990767	 5.2782521852	 0.112421
+H	-0.2990507271	 3.1529371408	 4.5831587081	 0.117366
+H	-1.9245393218	 2.7755022524	 5.1786824144	 0.141035
+H	-2.5324587003	 2.7513305305	 1.5094015504	 0.085175
+H	-4.3953550154	 2.9463420181	 3.0316057438	 0.288467
+H	-3.343631319	 0.4648961765	 3.4841786627	 0.088502
+H	-1.5526828611	-0.9918476301	 1.9980670097	 0.087036
+H	-1.313232632	 1.6592353585	 0.3691044492	 0.106501
+H	 0.4756360516	-0.5006833068	 0.6690954982	 0.284255
+H	 0.5666320185	 0.8517158099	 2.7280319049	 0.085471
+19
+0 2790	2.7321021	1.4161436	1.1918795	2.2315	74.83	-0.20976	0.06018	0.26994	1109.8356	0.155336	-422.469376	-422.460565	-422.459621	-422.50242	34.177
+C	-0.28751616	-0.0526227253	 0.007240321	-0.432095
+C	 1.2340355577	 0.0256960985	 0.1286348194	-0.018138
+C	 2.1255158853	 1.1837304373	 0.5176911776	-0.087662
+C	 2.1195150546	-0.1019422536	 1.3456511568	-0.169679
+C	 1.7185955974	 0.7339657527	 2.5896453335	 0.323049
+O	 2.3205728298	 0.5408179024	 3.8294795113	-0.462571
+C	 0.4661281716	 1.5691041693	 2.5021170169	 0.047022
+O	 0.1943380902	 2.2825279816	 3.672335827	-0.450761
+C	 1.7313757234	 2.0085321517	 1.7728833301	-0.16963
+H	-0.7507775455	-0.5271637233	 0.8764022326	 0.128046
+H	-0.7425349464	 0.9324947477	-0.1263365535	 0.135246
+H	-0.5562977764	-0.6523144294	-0.8676005591	 0.112084
+H	 1.7205157533	-0.5040031298	-0.6908208226	 0.094095
+H	 2.9050194529	 1.5330673517	-0.1489536305	 0.09185
+H	 2.9017838742	-0.8483630554	 1.4224515404	 0.090902
+H	 1.9351083802	-0.2517519782	 4.2262487239	 0.289429
+H	-0.4486938099	 1.2820269306	 2.0021215893	 0.092022
+H	 0.8822896819	 2.0402701995	 4.3081859488	 0.285285
+H	 2.1691581559	 2.9692863921	 2.0107763472	 0.101507
+19
+0 2791	3.4642248	1.1391967	1.0071267	0.8345	75.28	-0.2104	0.06738	0.27778	1230.5983	0.154541	-422.476737	-422.46765	-422.466706	-422.509704	34.947
+C	 0.1331346234	 0.21752243	-0.094467445	-0.429914
+C	 1.6361908761	 0.0425989857	-0.0048881085	-0.10091
+C	 2.2237203824	-1.0884959773	-0.842253759	-0.132342
+C	 3.7672087096	-1.211581472	-0.7631454387	-0.131604
+C	 4.4492280383	-0.2082077683	 0.1309323818	 0.126814
+O	 5.8456765458	-0.2550205475	 0.2103846067	-0.444379
+C	 3.6780030376	-1.3387065472	 0.7638373105	-0.204834
+C	 2.1277881779	-1.2223771609	 0.6587989757	 0.379879
+O	 1.3035495461	-2.07289591	 1.3745513491	-0.454884
+H	-0.2585989585	 0.7140509736	 0.8005639116	 0.111639
+H	-0.1356455241	 0.8321576863	-0.9597998335	 0.119127
+H	-0.3741002495	-0.7463613113	-0.1857593461	 0.131609
+H	 2.17266687	 0.9798130522	 0.1083377631	 0.080982
+H	 1.6323907391	-1.5675086047	-1.6127593428	 0.095224
+H	 4.3451474859	-1.8110074624	-1.4576025306	 0.087578
+H	 4.1402168854	 0.8281149562	 0.1985596242	 0.106106
+H	 6.1273924763	-1.1738170141	 0.1409985341	 0.284998
+H	 4.1573511153	-2.0615914963	 1.4141413198	 0.089278
+H	 1.1048646629	-1.6587324321	 2.2228758675	 0.285632
+19
+0 2792	2.823009	1.2967033	1.0836037	0.7802	75.48	-0.20866	0.0709	0.27956000000000003	1173.2084	0.154386	-422.480802	-422.47168	-422.470735	-422.513803	35.187
+C	-4.4769762265	 1.8800238994	 1.6993226732	-0.493748
+C	-3.3515277023	 0.8943651779	 1.589079609	 0.289703
+C	-3.5671368471	-0.6100584048	 1.4977628012	-0.430396
+C	-2.7351141385	-0.0293595893	 2.6149381552	 0.349086
+O	-3.0826019178	-0.154181675	 3.9474773016	-0.458203
+C	-1.3027814518	 0.3988484584	 2.1836914321	-0.201984
+C	-0.9987963072	 0.1989008202	 0.7226641223	 0.130337
+O	 0.2775996199	 0.5443165629	 0.2650324069	-0.442791
+C	-1.926317076	 1.3181011638	 1.1253636545	-0.178851
+H	-4.1460925382	 2.8067874544	 2.1821396122	 0.120036
+H	-4.8756372754	 2.1429580689	 0.7119338632	 0.119973
+H	-5.2974628941	 1.468885438	 2.2948746103	 0.126164
+H	-4.557564359	-0.903352959	 1.8362118058	 0.111457
+H	-3.1803222377	-1.2343060187	 0.6996636726	 0.112092
+H	-2.9549986633	-1.073112867	 4.2103345013	 0.285298
+H	-0.5285790639	 0.6307473263	 2.9059571894	 0.089272
+H	-1.3344270508	-0.6705835799	 0.1700634063	 0.103388
+H	 0.5835499233	 1.3139844767	 0.7571583753	 0.285194
+H	-1.6751585435	 2.3492211969	 0.9008295576	 0.083974
+19
+0 2793	2.8328704	1.3388079	1.0795281	3.1171	75.6	-0.22363	0.06935	0.29298	1178.7478	0.153549	-422.487327	-422.478109	-422.477165	-422.52049	35.086
+C	-3.3883744924	-0.8162321417	 3.3787515832	-0.505527
+C	-2.4375396659	 0.10444658	 2.689271166	 0.345052
+O	-2.9763228189	 1.2074636173	 1.9277631684	-0.331631
+C	-1.9737373382	 1.476224273	 2.9324252528	 0.345097
+C	-2.2635379705	 2.5105111441	 3.9684724091	-0.505534
+C	-0.5739404714	 1.147965915	 2.3237001237	-0.21635
+C	-0.6698901339	 0.6063047654	 0.9188317436	 0.155124
+O	 0.5125248701	 0.3286092982	 0.2294922904	-0.445357
+C	-1.0595378164	-0.2885647549	 2.0693203459	-0.216329
+H	-3.8568627287	-1.4973651036	 2.6588939007	 0.134759
+H	-2.8664123734	-1.4240377201	 4.125291977	 0.124959
+H	-4.1797853949	-0.2497108028	 3.876272423	 0.133187
+H	-1.5649210652	 2.4247731561	 4.8073862345	 0.124959
+H	-2.161468817	 3.5176055867	 3.5478068133	 0.13476
+H	-3.2833359889	 2.4011209874	 4.3464307458	 0.133185
+H	 0.3656880028	 1.476417986	 2.7520747255	 0.086566
+H	-1.4203601382	 0.9808592242	 0.2361896072	 0.13325
+H	 1.1672105976	-0.0031276296	 0.8531420025	 0.283259
+H	-0.5459508766	-1.2204468206	 2.2745349772	 0.086572
+19
+0 2794	2.7855747	1.313402	1.0827095	1.5835	75.69	-0.20216	0.06784	0.27	1183.8777	0.154591	-422.482152	-422.473183	-422.472239	-422.514973	34.938
+C	 0.1107075699	-0.065458957	-0.1646116738	-0.423269
+C	 1.6163856151	 0.0053612048	-0.0062149256	-0.019518
+C	 2.1714638307	-0.116453959	 1.392056584	-0.137453
+C	 2.1797361937	 1.2271744551	 0.6804743989	-0.147763
+C	 3.734882271	 1.2760180645	 0.7949566867	 0.343243
+O	 4.4344317195	 2.4482323767	 0.995080114	-0.44899
+C	 4.4288261099	 0.0975320312	 0.1690499995	-0.415114
+C	 3.7279555644	-0.0676311145	 1.5044201811	 0.291115
+O	 4.3825359929	-0.462219094	 2.6548370973	-0.455148
+H	-0.4000797425	 0.3897840443	 0.6906064454	 0.115909
+H	-0.214322811	 0.462179128	-1.0676048799	 0.120767
+H	-0.2278810518	-1.1042832738	-0.2409557969	 0.118847
+H	 2.1569935994	-0.4373326788	-0.8365402459	 0.082287
+H	 1.5598133585	-0.4046381625	 2.2388483346	 0.087555
+H	 1.5663104497	 2.0939161452	 0.8999755162	 0.082447
+H	 4.1376312956	 2.8369977026	 1.8260561689	 0.289079
+H	 4.1297837927	-0.3775414896	-0.7601446766	 0.109323
+H	 5.5046826171	 0.1760466793	 0.3028642634	 0.120796
+H	 4.6508247751	-1.3828625724	 2.5542397489	 0.285887
+19
+0 2795	3.1386033	1.3926726	1.1883383	0.3124	74.2	-0.24394	0.07223	0.31617	1091.3578	0.156851	-422.512533	-422.50457	-422.503626	-422.544391	31.925
+C	-2.6860499965	 3.4229614309	-1.1722587869	-0.502991
+C	-2.7066214262	 2.1280083483	-0.4102715107	 0.40974
+C	-3.2785075926	 1.9624250135	 1.0221815788	-0.289376
+C	-3.4666032093	 0.5403626776	 0.4551438366	 0.053626
+O	-3.7502752282	 1.1688793463	-0.8415840328	-0.328883
+C	-2.0463797452	-0.0154517985	 0.2318411286	-0.114365
+C	-0.8510224779	 0.6845537733	 0.8318147188	 0.120148
+O	 0.3972042911	 0.0597860754	 0.7888333006	-0.441929
+C	-1.4507505829	 1.2218347977	-0.4442213639	-0.148559
+H	-1.926719255	 4.0938285122	-0.7580524235	 0.127361
+H	-2.4432109563	 3.2432275594	-2.2248456838	 0.129682
+H	-3.6582095495	 3.9201442364	-1.1230660203	 0.127826
+H	-2.6643729812	 2.1487792673	 1.9044079459	 0.098545
+H	-4.2386683063	 2.4713468005	 1.1050669115	 0.110092
+H	-4.2443158688	-0.1434191197	 0.7924651439	 0.079811
+H	-1.9268894187	-1.0151361138	-0.1723452907	 0.089803
+H	-0.9268636895	 1.2304329961	 1.7643301464	 0.108465
+H	 0.4693231076	-0.4332208913	-0.0353207205	 0.285265
+H	-0.8766312748	 1.1670505886	-1.363918178	 0.08574
+19
+0 2796	2.990446	1.4259869	1.1933994	2.2989	74.37	-0.23466	0.07287	0.30753	1078.4054	0.157656	-422.521014	-422.513216	-422.512272	-422.552649	31.881
+O	 0.3678890673	 0.6918520886	 0.3599247313	-0.445992
+C	-0.69738434	 0.2431852548	 1.146480757	 0.118784
+C	-1.3255230693	 1.2008999814	 2.1314377388	-0.098482
+C	-0.4715334435	 0.0282862043	 2.6211567492	-0.134412
+C	-1.5134676871	-0.7076681519	 3.4778077429	 0.404962
+O	-1.013484417	-1.8571839045	 4.0796634279	-0.486355
+C	-2.1455035096	 0.5044012296	 4.2664613852	-0.27295
+C	-2.6566778532	 0.8615026661	 2.831137709	-0.053306
+C	-2.8155524279	-0.6732512032	 2.6246165567	-0.307118
+H	 0.9339584905	 1.2554109603	 0.8978998555	 0.28326
+H	-1.2936912255	-0.4409482407	 0.5558007102	 0.107654
+H	-0.9660445232	 2.2252477755	 2.1518026698	 0.082406
+H	 0.5266952858	 0.1451006255	 3.0313608576	 0.086551
+H	-1.7141876515	-2.2526910908	 4.6080950578	 0.279341
+H	-2.9476064002	 0.1993800936	 4.9461823132	 0.084009
+H	-1.4645078149	 1.2045366307	 4.7572552797	 0.090903
+H	-3.496910081	 1.5356860852	 2.6755496747	 0.06953
+H	-3.6677375108	-1.0577735393	 3.1914726505	 0.08806
+H	-2.8279526389	-1.0979946254	 1.6209196332	 0.103156
+19
+0 2797	2.923773	1.4174183	1.2041201	0.9181	74.4	-0.23932	0.06129	0.30061	1094.0231	0.156226	-422.494153	-422.485971	-422.485027	-422.526279	32.151
+C	-3.5193923487	 2.3025472486	-1.8084348261	-0.493291
+C	-2.8688822076	 1.8825688316	-0.5111741815	 0.289596
+C	-3.0318710717	 2.7700892149	 0.7464532628	-0.144924
+O	-3.4486455489	 1.6319565504	 1.5460670789	-0.306011
+C	-3.4154571215	 0.7524829511	 0.3895963472	 0.055806
+C	-2.1337111383	-0.0732803109	 0.1892112237	-0.118581
+C	-0.9266213454	 0.702155919	 0.6505239677	 0.077572
+O	 0.3106377342	 0.066617324	 0.4888667679	-0.441488
+C	-1.5474675219	 1.0834652129	-0.6541894552	-0.135069
+H	-3.5533808375	 1.4678439416	-2.5170995641	 0.1231
+H	-4.5444666092	 2.6506872324	-1.6436399522	 0.119283
+H	-2.9593716806	 3.1158901575	-2.2852548224	 0.122728
+H	-2.1359782839	 3.2579714479	 1.1471352344	 0.102304
+H	-3.8391113747	 3.5094202744	 0.6639257482	 0.09779
+H	-4.367733879	 0.2438448197	 0.2162935969	 0.076466
+H	-2.0758894278	-1.1428886492	 0.0250455686	 0.085799
+H	-1.0016538577	 1.3413041539	 1.527609356	 0.105092
+H	 0.4076339538	-0.5716851088	 1.2033752088	 0.288052
+H	-0.9576198235	 1.0267193391	-1.5615200697	 0.095778
+19
+0 2798	3.0452085	1.3929484	1.2176469	1.001	74.46	-0.23887	0.06929	0.30816	1090.024	0.15616	-422.498169	-422.489981	-422.489037	-422.530276	32.26
+C	-4.3232543033	 2.4365959989	 0.3134139239	-0.476856
+C	-3.2874912357	 1.4984891972	 0.871099186	 0.438105
+O	-3.1833910786	 1.5677794377	 2.3299067418	-0.340451
+C	-3.4188813357	 0.1411962012	 2.459289267	-0.114726
+C	-3.4036216389	-0.0436267741	 0.9301294911	-0.13496
+C	-2.0445229428	-0.1553943062	 0.2089577107	-0.08664
+C	-0.9454453222	 0.5801082241	 0.9084824328	 0.080824
+O	 0.3013833426	 0.3792649534	 0.303594727	-0.441102
+C	-1.9430182597	 1.3846108267	 0.1182149249	-0.153366
+H	-5.290613748	 2.2822718798	 0.8000148339	 0.122479
+H	-4.0184407217	 3.4759683595	 0.4812732194	 0.129156
+H	-4.4406707215	 2.2872824731	-0.7648203652	 0.121569
+H	-2.6367420789	-0.362078372	 3.0386383013	 0.103346
+H	-4.3930942143	-0.0566742554	 2.9233513651	 0.100659
+H	-4.2289255251	-0.5770172312	 0.4599199954	 0.07955
+H	-1.7928482521	-0.8919650885	-0.543600062	 0.099042
+H	-0.9215053229	 0.6709614395	 1.9919344154	 0.104445
+H	 0.813588064	 1.1871521253	 0.4143035701	 0.287419
+H	-1.6246934451	 2.006311551	-0.7114062088	 0.081508
+19
+0 2799	2.9342043	1.4196489	1.2074099	0.6591	74.78	-0.23423	0.0578	0.29203	1101.9602	0.156131	-422.498011	-422.489851	-422.488907	-422.530114	32.169
+C	 1.550079483	-0.8594956703	-0.949268607	-0.428351
+C	 1.2685405848	-0.0768845735	 0.3168457769	-0.018087
+C	 2.0822846076	 1.1633145097	 0.5584786397	-0.069347
+C	 2.3176840304	-0.112563836	 1.3927881495	-0.110232
+C	 1.9061420685	 0.6311827061	 2.6817980621	 0.35716
+O	 2.881261801	 0.5100114912	 3.6649192608	-0.475757
+C	 0.4076268788	 0.7003096499	 3.0636829311	-0.163124
+O	 0.200721446	 1.8104970083	 2.1543362115	-0.296372
+C	 1.6163107372	 1.8939226284	 1.8352808281	 0.010296
+H	 1.2442562579	-1.9054623124	-0.8411236105	 0.120354
+H	 1.005923571	-0.436394112	-1.8001477807	 0.12192
+H	 2.6170599021	-0.8484878581	-1.1960262451	 0.116729
+H	 0.2204723659	-0.046386218	 0.5998409082	 0.1019
+H	 2.701867936	 1.6011039381	-0.2156323526	 0.082898
+H	 3.1495958579	-0.8062104725	 1.3680646184	 0.092869
+H	 2.6730009325	 1.1216821701	 4.3799746929	 0.283102
+H	-0.2312468953	-0.1598180086	 2.8340141242	 0.107934
+H	 0.2430514332	 1.002816734	 4.1087354163	 0.088015
+H	 2.0464685716	 2.8790117553	 2.0317906861	 0.078092
+19
+0 2800	2.9009109	1.3799909	1.1895416	1.9823	74.32	-0.22786	0.06313	0.29099	1097.4273	0.156076	-422.499476	-422.491161	-422.490217	-422.5317	32.994
+O	 0.1971390969	 0.6876492739	 0.1835078854	-0.443119
+C	-1.0780562143	 0.3383619672	 0.6441364538	 0.147365
+C	-1.3487418604	 0.4246738909	 2.1181698914	-0.139985
+C	-1.9846937224	 1.4355843255	 1.126255263	-0.224592
+C	-3.3965772566	 0.9283695598	 1.5181163217	 0.437422
+O	-4.3170640056	 1.9091817554	 1.8936668993	-0.479132
+C	-4.0398544818	-0.2355346167	 0.719972036	-0.277464
+C	-3.3794705371	-1.2661679567	 1.6969721621	-0.244337
+C	-2.7508339489	-0.0941637479	 2.5106468939	-0.098953
+H	 0.534109433	 1.4091599908	 0.7255115507	 0.283203
+H	-1.4509047433	-0.4812059629	 0.0386968299	 0.106659
+H	-0.5205767604	 0.559202904	 2.8071699774	 0.08151
+H	-1.7460323808	 2.4751067934	 0.9178247997	 0.079163
+H	-3.8648364512	 2.5486956779	 2.4556827927	 0.27744
+H	-5.1281499531	-0.2032633261	 0.8024003664	 0.113336
+H	-3.7707769843	-0.3086733171	-0.3362165116	 0.103246
+H	-4.1083096245	-1.843088907	 2.2696546646	 0.103216
+H	-2.6698055468	-1.9651323621	 1.248794187	 0.1054
+H	-2.9709982983	-0.0460958426	 3.5779432766	 0.069621
+19
+0 2801	2.7968151	1.3138208	1.0107978	0.6785	75.79	-0.23986	0.06965	0.30951	1202.0387	0.154944	-422.497638	-422.488708	-422.487764	-422.530951	33.555
+C	 1.1995161088	 1.0481495065	-0.0813076764	-0.392745
+C	 0.981109845	-0.4446532686	 0.1393249607	-0.107389
+C	 1.9184475377	-1.0926624944	 1.1796349103	-0.118674
+C	 1.7637626023	-2.5813225797	 1.1894356624	 0.136188
+O	 2.4279161985	-3.3352146946	 2.1611760948	-0.440503
+C	 2.5752070823	-1.9618276394	 0.0757249286	-0.221374
+C	 1.6494621425	-1.3352776775	-0.9386002766	 0.452603
+C	 1.1498421628	-1.843916884	-2.2171199435	-0.270234
+O	 2.1234199815	-0.7852451446	-2.1547877128	-0.276549
+H	 0.8519279625	 1.6196257657	 0.7854026335	 0.112312
+H	 2.2586494156	 1.271614227	-0.2401135322	 0.125795
+H	 0.6525957974	 1.3948544288	-0.9624945805	 0.124467
+H	-0.0834257154	-0.6509316335	 0.3075082323	 0.074116
+H	 2.3868138327	-0.5664476131	 2.0046567425	 0.086802
+H	 0.7993205898	-3.0396402667	 0.9810468946	 0.104355
+H	 3.2767236979	-2.9205858727	 2.3498077442	 0.285554
+H	 3.6121601196	-2.2312521501	-0.0908579338	 0.095798
+H	 1.5186616551	-2.7917825493	-2.6068978052	 0.116015
+H	 0.1656110735	-1.5450000898	-2.5762739428	 0.113464
+19
+0 2802	2.98139	1.2979601	1.0211885	2.4509	76.2	-0.25522	0.07955	0.33477	1207.2344	0.155753	-422.504161	-422.495562	-422.494618	-422.53703	32.912
+C	 1.0941033039	 1.3412611106	 0.1834268463	-0.422729
+C	 0.8672173108	-0.1558230428	 0.1704090429	-0.018493
+C	 1.8764883775	-1.0397058478	 0.8412070043	-0.099656
+C	 1.7823229895	-0.991986717	-0.6946048732	-0.156268
+C	 1.3289837075	-2.4279858256	-0.694290567	 0.380076
+C	 0.6950689018	-3.2955335572	-1.6849128038	-0.268427
+O	 2.0980291313	-3.4250143463	-1.3627821705	-0.288473
+C	 1.3452371222	-2.4922432985	 0.8591291038	 0.06588
+O	 2.2162364353	-3.4733610024	 1.3472908298	-0.445846
+H	 0.7141131363	 1.7873746947	 1.1083813161	 0.123276
+H	 2.1606843005	 1.5786370297	 0.1126889808	 0.119874
+H	 0.5869355996	 1.8262595202	-0.6572629035	 0.12104
+H	-0.1816888298	-0.4485449685	 0.2313988099	 0.080325
+H	 2.658332432	-0.6647707249	 1.4894990996	 0.096853
+H	 2.453479542	-0.5539718779	-1.4239872428	 0.096145
+H	 0.0699772429	-4.1251213033	-1.3581873651	 0.122876
+H	 0.4922396749	-2.924836695	-2.6883702304	 0.121724
+H	 0.371597889	-2.6022543133	 1.3546616494	 0.076646
+H	 2.6211197527	-3.8882394648	 0.5718020833	 0.295177
+19
+0 2803	2.718833	1.3205578	1.0112983	2.0178	75.94	-0.23666	0.06863	0.30529	1198.0736	0.155597	-422.502094	-422.493243	-422.492299	-422.53524	33.858
+O	-2.870557342	-0.2931126464	 3.9195747031	-0.440098
+C	-2.475521967	-0.4273125766	 2.5846840841	 0.145543
+C	-1.1728292325	 0.1856949061	 2.14704289	-0.16755
+C	-2.5307742334	 0.7684578388	 1.6771900844	-0.222364
+C	-2.1973504021	 0.3520893723	 0.2581028341	 0.327075
+C	-2.3854870531	 1.1746885119	-0.9830108336	-0.342038
+C	-3.1156071331	-0.1401561569	-0.8221289609	-0.329934
+C	-0.8290834643	-0.2251773663	 0.7044030786	 0.056856
+O	 0.3053871944	 0.3913776824	 0.1401181039	-0.42608
+H	-2.5710534464	 0.5618532976	 4.24676775	 0.284156
+H	-2.7777910539	-1.4061316634	 2.2188811011	 0.106056
+H	-0.4570079992	 0.5661625817	 2.8679685308	 0.088
+H	-3.0372889733	 1.6816249866	 1.9741417332	 0.084231
+H	-2.9609236863	 2.0919510371	-0.9076526916	 0.112904
+H	-1.5579766341	 1.2155468333	-1.6840891537	 0.123289
+H	-4.1846389514	-0.1120967845	-0.637041389	 0.115084
+H	-2.7869871533	-0.9788568074	-1.4275412968	 0.117167
+H	-0.6837892422	-1.2991927099	 0.5452272686	 0.0887
+H	 0.173787923	 1.3451731237	 0.1939615837	 0.279002
+19
+0 2804	5.2385069	1.0025592	0.9255152	1.2667	75.41	-0.23274	0.07061	0.30335	1287.6953	0.156342	-422.504743	-422.496388	-422.495444	-422.537404	31.899
+C	 0.3429567225	 0.3602462303	 0.1581956419	-0.403772
+C	 1.0795529092	-0.8729649241	-0.3274580068	 0.151396
+O	 2.4433778445	-0.5607882836	-0.7201050247	-0.310915
+C	 2.9946621168	-1.4323922877	 0.2801950582	 0.104893
+C	 3.2531956686	-2.8430198728	-0.2184454644	-0.142223
+C	 3.0640039947	-3.8273396629	 0.9024621041	 0.133994
+O	 3.4009849965	-5.1667042093	 0.6857923447	-0.440081
+C	 1.8318506698	-3.2700839219	 0.2482298192	-0.129333
+C	 1.5611006727	-1.8632213699	 0.7568133308	-0.120226
+H	 0.8565709081	 0.8109925419	 1.0132267905	 0.120151
+H	 0.2885678124	 1.1066056774	-0.6402431642	 0.127411
+H	-0.6783838352	 0.102418809	 0.4602419581	 0.114045
+H	 0.5333037383	-1.3431560226	-1.1563843272	 0.074432
+H	 3.7589077327	-0.9343844428	 0.8844140219	 0.07879
+H	 3.8006551192	-3.1043735657	-1.1176397374	 0.092516
+H	 3.3130585833	-3.5617892182	 1.9277452601	 0.103384
+H	 3.2369371195	-5.3819980006	-0.2386329802	 0.285332
+H	 1.1135430928	-3.9233171691	-0.2372256746	 0.086097
+H	 1.1628086539	-1.7291479574	 1.7649726299	 0.074108
+19
+0 2805	3.7073352	1.1082626	1.0567754	2.662	74.18	-0.23555	0.06514	0.30069	1191.4083	0.156548	-422.492815	-422.484534	-422.483589	-422.525288	32.467
+O	-4.926573065	-0.213174944	 2.3358185248	-0.447399
+C	-3.646503727	 0.2710033203	 2.0407575287	 0.150701
+C	-2.9177878555	 1.0246291395	 3.1142526774	-0.130851
+C	-2.4751939442	-0.4042718051	 2.6988167448	-0.134661
+C	-1.116120354	 0.1521759669	 2.224920551	-0.0809
+C	-0.9644317196	 0.6257094922	 0.7404705378	 0.149953
+O	 0.3175318112	 0.4952130252	 0.1689705082	-0.441657
+C	-1.3869287176	 2.072266554	 1.1760072192	-0.297943
+C	-1.5574384168	 1.5861122335	 2.6469559689	-0.032462
+H	-4.9450491705	-0.4930086355	 3.2573473781	 0.282983
+H	-3.6284361335	 0.5840198495	 1.00205405	 0.105681
+H	-3.4540363248	 1.3558979148	 3.9976666437	 0.082362
+H	-2.618098426	-1.3533707215	 3.2051942468	 0.083542
+H	-0.2378764041	-0.3307290605	 2.657278658	 0.067745
+H	-1.6413723236	 0.1363256204	 0.0360809973	 0.093031
+H	 0.9546349187	 0.911022179	 0.7599705394	 0.275578
+H	-0.5578795016	 2.7763523235	 1.0532565939	 0.09557
+H	-2.2672185846	 2.496991744	 0.686559322	 0.107888
+H	-1.0176831315	 2.1371040836	 3.4176632801	 0.070839
+19
+0 2806	3.7454024	1.1661714	1.0302477	1.3651	74.99	-0.21122	0.06541	0.27663	1186.4575	0.154428	-422.467839	-422.458826	-422.457882	-422.501091	34.802
+C	-2.8340202854	 2.8634261822	 1.7343794799	-0.494028
+C	-3.5294292499	 2.0458600517	 0.6505233038	 0.374977
+O	-4.8597622546	 2.4863450778	 0.4335256862	-0.461326
+C	-2.9870173976	 1.5972593237	-0.6766677906	-0.096402
+C	-1.5768916848	 0.9593666812	-0.681832944	-0.147368
+C	-0.8899267971	 0.7586598647	 0.6533442954	 0.12407
+O	 0.3768219028	 0.163888807	 0.6057607375	-0.447401
+C	-2.0575265297	-0.1172152605	 0.3064906985	-0.1319
+C	-3.4493896218	 0.5540667971	 0.3438047426	-0.13912
+H	-2.7175597038	 2.3074498151	 2.6703689283	 0.123773
+H	-1.8526530536	 3.2238263935	 1.4212314924	 0.141928
+H	-3.4511535456	 3.7439288253	 1.9330031347	 0.122042
+H	-5.3753557329	 2.2418710238	 1.2103045776	 0.280721
+H	-3.4877255173	 1.9010459789	-1.5875998236	 0.099816
+H	-1.0021729228	 0.8383570131	-1.593101109	 0.089184
+H	-0.8977530408	 1.4736797103	 1.4627603835	 0.101205
+H	 0.3818782442	-0.4964742966	-0.0961905411	 0.284206
+H	-1.9387099662	-1.1940543908	 0.2542713118	 0.086366
+H	-4.3686262532	-0.0189971374	 0.324507406	 0.089258
+19
+0 2807	4.0215457	1.1951281	1.1279851	2.0055	74.26	-0.25184	0.08152	0.33336	1148.1884	0.158088	-422.510239	-422.502681	-422.501737	-422.541748	30.724
+C	 0.1229628705	 0.1623962386	-0.0464443352	-0.428442
+C	 1.6336146422	 0.1198993199	 0.0605308182	-0.033531
+C	 2.2500685824	-1.0288573315	 0.8257053467	-0.050218
+C	 2.3597289744	-0.9685074568	-0.6966612464	-0.05027
+C	 3.8881594938	-0.9457644389	-0.8039835996	-0.000756
+O	 4.2822551041	-1.9985610006	 0.1673095794	-0.334673
+C	 3.7472620171	-1.023322531	 1.1520881162	-0.000767
+C	 4.3961589541	 0.0700836549	 0.2575362499	 0.17764
+O	 5.7891577484	 0.1424806936	 0.3607426614	-0.46197
+H	-0.3191207177	 0.6473260907	 0.8302310561	 0.122783
+H	-0.19212499	 0.7201527677	-0.9345667447	 0.122773
+H	-0.297850463	-0.8460039429	-0.1183224495	 0.118534
+H	 2.0844255757	 1.1033407661	 0.1319574422	 0.092821
+H	 1.6072655461	-1.7414896459	 1.3299040706	 0.096121
+H	 1.7997399618	-1.6355331792	-1.3422161824	 0.096128
+H	 4.3590208463	-1.0576925839	-1.7805005474	 0.082619
+H	 4.0741665735	-1.2144891687	 2.1740531178	 0.08262
+H	 4.0284532772	 1.0947430459	 0.271678679	 0.083857
+H	 6.0944419932	-0.775346938	 0.3463427576	 0.284731
+19
+0 2808	3.9159418	1.1926371	1.1162794	0.1932	74.22	-0.24746	0.07058	0.31804	1149.0296	0.157366	-422.503415	-422.495564	-422.49462	-422.535184	31.4
+C	 0.0947954088	 0.1859234041	-0.0501058398	-0.430848
+C	 1.6090545951	 0.0262388076	-0.0420851319	 0.023614
+C	 2.1568538628	-1.0136638598	 0.972965962	 0.045041
+O	 1.7177858663	-2.0636244328	 0.0387827015	-0.300383
+C	 2.1592534372	-1.0888331295	-0.972522118	 0.045033
+C	 3.6866200558	-1.1007185094	-0.7646190323	-0.116549
+C	 4.3778505236	 0.0276690551	-0.0387215891	 0.119718
+O	 5.7735147309	 0.0757871641	-0.0388442022	-0.44238
+C	 3.6847215275	-1.0414133511	 0.7703789896	-0.116534
+H	-0.2355764325	 0.7777373013	 0.8104995926	 0.113553
+H	-0.2333907188	 0.7098960525	-0.9544130226	 0.113551
+H	-0.4000010553	-0.7863651863	-0.0133278539	 0.138715
+H	 2.0876344107	 1.0066125721	-0.0793752471	 0.068886
+H	 1.7632995169	-1.1305380639	 1.9828715399	 0.077842
+H	 1.7682014315	-1.2833137865	-1.9713763286	 0.077841
+H	 4.2864595513	-1.8155892617	-1.3180693802	 0.092541
+H	 4.0039840887	 1.0432303791	-0.0784194481	 0.112446
+H	 6.1156646122	-0.8238398966	-0.0039364101	 0.285366
+H	 4.2831347873	-1.7113816681	 1.3788149484	 0.092546
+19
+0 2809	3.2121233	1.3610711	1.1930306	0.2166	73.91	-0.23778	0.06216	0.29994	1078.6819	0.158444	-422.520838	-422.513207	-422.512263	-422.552399	31.207
+O	-5.2771498881	 0.6410816193	-1.8707868142	-0.444374
+C	-4.6234523746	 0.1053193494	-0.7579314766	 0.120822
+C	-3.162335028	-0.2511073548	-0.8737249701	-0.125615
+C	-3.6178637998	 0.9572302396	-0.0243143504	-0.125717
+C	-3.072898572	 0.5325556489	 1.3510716929	-0.095488
+C	-3.4011379143	-0.9816292049	 1.4437144219	-0.248218
+C	-2.4621690964	-1.0873026055	 0.2123513909	-0.095466
+C	-1.6311672028	 0.0348643448	 0.9470011128	 0.186785
+O	-0.7472866148	 0.8574628459	 0.2508801566	-0.443734
+H	-4.6649000581	 1.2106154376	-2.3484658952	 0.281857
+H	-5.3213827284	-0.5303101877	-0.228011934	 0.11079
+H	-2.6912919941	-0.1438596812	-1.8467363706	 0.08506
+H	-3.494259415	 1.9865033004	-0.3490968801	 0.085015
+H	-3.2394183356	 1.2110794371	 2.1872419637	 0.066364
+H	-2.9537673733	-1.435981388	 2.3299860576	 0.102999
+H	-4.4346393372	-1.3125437757	 1.3601600624	 0.106151
+H	-2.0162029842	-2.0332942702	-0.0934537259	 0.066366
+H	-1.0783928486	-0.3585948689	 1.8032175312	 0.087031
+H	-1.2209274848	 1.2131480339	-0.5096688529	 0.279373
+19
+0 2810	3.977473	1.3349648	1.2841323	1.844	73.81	-0.2461	0.09405	0.34015	1060.4017	0.159405	-422.553484	-422.546358	-422.545414	-422.58469	28.77
+C	 0.0085215365	 0.0158597465	 0.0317679239	-0.423434
+C	 1.5211361535	 0.0628162373	 0.015793347	-0.03841
+C	 2.2673864204	-0.9337340119	-0.8347983273	-0.054014
+C	 2.2907725334	-1.0499897842	 0.6838702151	-0.080727
+C	 3.772459816	-0.8025104924	 0.9665790486	 0.17083
+O	 4.4853657995	-1.9873120661	 0.6012416138	-0.274067
+C	 4.5229538847	-1.9451587209	-0.838256524	-0.077391
+C	 3.7386496864	-0.6440959084	-1.1398947146	-0.000627
+O	 4.1514498114	 0.1480217104	-0.0123798801	-0.252178
+H	-0.3887472845	 0.4423040036	 0.9590994619	 0.121006
+H	-0.4120710993	 0.5843739002	-0.8046848824	 0.119732
+H	-0.3608315237	-1.0122671498	-0.0456457472	 0.113972
+H	 1.953028743	 1.0564915449	 0.0867148213	 0.100257
+H	 1.7289850209	-1.6422801131	-1.4535179997	 0.090334
+H	 1.7833439225	-1.847083885	 1.2129746962	 0.095385
+H	 4.0782107077	-0.4841347297	 1.9626471212	 0.092366
+H	 5.5646035944	-1.8909929978	-1.1739920574	 0.105888
+H	 4.047629789	-2.8375775671	-1.2591653298	 0.101606
+H	 3.9843784478	-0.1323079267	-2.0696645864	 0.089471
+19
+0 2811	3.3128105	1.4319307	1.4123526	0.9078	73.43	-0.24258	0.08011	0.32269	1002.0637	0.159726	-422.543893	-422.536926	-422.535982	-422.57477	29.109
+O	 0.220617317	-0.2654635335	 0.5166786969	-0.444686
+C	-0.7262289318	 0.6475081858	 0.9956080168	 0.074509
+C	-1.6288895095	 0.0784383501	 2.0543049952	-0.067962
+C	-0.5766896486	 1.127988446	 2.4183026302	-0.091766
+C	-1.4527775574	 2.3089984598	 2.8771732156	 0.078509
+C	-2.5557071789	 1.5819729284	 3.6665918726	-0.218574
+C	-2.9692069951	 0.7600295217	 2.4147487713	-0.066138
+C	-3.2418644953	 1.930256915	 1.4619619177	-0.092413
+O	-2.1766233975	 2.8597116222	 1.7577247783	-0.283273
+H	 1.0069656922	 0.2314941886	 0.2673854811	 0.285461
+H	-1.1106638602	 1.3430606672	 0.2550298137	 0.106501
+H	-1.4855509666	-0.9676001212	 2.29862176	 0.095624
+H	 0.3259818126	 0.8765569059	 2.9648697936	 0.084182
+H	-0.920710971	 3.1235851023	 3.3687443546	 0.07498
+H	-2.1661003845	 0.9613033222	 4.4764447792	 0.099833
+H	-3.3363669923	 2.2508109467	 4.0422846779	 0.096935
+H	-3.8072444495	 0.0723439266	 2.5284318294	 0.069669
+H	-3.2050014555	 1.6534258771	 0.4030893695	 0.103375
+H	-4.2121737979	 2.402700609	 1.6645842163	 0.095233
+19
+0 2812	3.8416876	1.3269195	1.2662044	1.52	73.43	-0.24489	0.07738	0.32227	1052.8299	0.159761	-422.556886	-422.549781	-422.548837	-422.587986	29.213
+O	 0.2462150058	 0.2321601295	-0.0702674161	-0.440916
+C	-0.7943531099	 0.4364946625	 0.8441928212	 0.061707
+C	-2.1292572496	-0.0457955519	 0.3659284003	-0.058889
+C	-1.4060179253	-0.7882909593	 1.4874391356	-0.099253
+C	-2.3424678482	-0.5568905069	 2.6739927541	 0.044033
+C	-3.5927367949	-1.4506131364	 2.4787565955	-0.208368
+C	-4.3303829131	-0.6874673567	 1.3305625812	-0.208778
+C	-3.3613688288	 0.4967544538	 1.0895348386	 0.04231
+O	-2.8666551262	 0.7562423621	 2.4142623609	-0.267612
+H	 1.0544178021	 0.086953063	 0.4326269183	 0.285562
+H	-0.7444348018	 1.3602502452	 1.4170405962	 0.101875
+H	-2.2087630009	-0.4570459811	-0.6326824016	 0.09857
+H	-0.9487978217	-1.7565448796	 1.3222109239	 0.090029
+H	-1.8945439506	-0.5740987016	 3.6684888292	 0.075975
+H	-3.3323530278	-2.4778273897	 2.2111759922	 0.098482
+H	-4.194211917	-1.4778054703	 3.3905316125	 0.102854
+H	-4.4729174326	-1.2969900668	 0.4346789058	 0.099536
+H	-5.3085081374	-0.3257938453	 1.6560414751	 0.103233
+H	-3.8083865024	 1.4067702996	 0.6877800571	 0.079652
+19
+0 2813	4.3951265	1.1900888	1.0773005	1.7011	74.75	-0.25349	0.09734	0.35083	1164.5177	0.15848	-422.530336	-422.52273	-422.521785	-422.562254	29.486
+C	 2.8808865825	-1.3933634887	-0.863252618	-0.421542
+C	 2.904557724	-1.1768203747	 0.635308378	-0.020356
+C	 3.5750122693	 0.0631340334	 1.1612262555	-0.096684
+C	 2.0456302798	-0.0814566214	 1.2062546586	-0.096674
+C	 2.0780207767	-0.1642960769	 2.7364541835	 0.070114
+O	 1.6432871308	 0.9909767933	 3.425194261	-0.257256
+C	 2.6900282832	 1.9324895485	 3.3389262151	 0.007106
+O	 3.8978854909	 1.2043213798	 3.3588076901	-0.257249
+C	 3.6479376018	-0.0157533419	 2.6902475383	 0.07012
+H	 2.0434245239	-2.0351414472	-1.156548684	 0.121955
+H	 2.7752126396	-0.4428608026	-1.3966193226	 0.118358
+H	 3.8052327238	-1.868399134	-1.208461017	 0.121954
+H	 3.0084636044	-2.0949664086	 1.2161961252	 0.078932
+H	 4.1947144749	 0.6950193274	 0.5358859015	 0.090969
+H	 1.2831800619	 0.4197746997	 0.6216202725	 0.090969
+H	 1.6101565509	-1.0326535106	 3.2069658182	 0.084762
+H	 2.6067362577	 2.5243269437	 2.4121389651	 0.089653
+H	 2.6536453137	 2.5888618094	 4.2125363716	 0.120116
+H	 4.2968431501	-0.7784286886	 3.1279284673	 0.084754
+19
+0 2814	4.2815404	1.1443941	1.0462954	0.4963	74.57	-0.23871	0.07161	0.31032	1170.6246	0.158296	-422.526113	-422.518321	-422.517377	-422.55828	30.128
+O	 0.4434115247	 0.4546866939	 0.7255889496	-0.443624
+C	-0.8780540017	 0.7905016157	 0.4105854621	 0.128064
+C	-1.945230943	-0.2547179637	 0.5585951847	-0.102036
+C	-1.869893151	 0.9492302011	 1.5260787148	-0.102026
+C	-3.2018985014	 1.480006647	 0.9990167186	-0.061543
+C	-4.403592251	 1.2522482839	 1.9235229021	-0.095779
+O	-4.7030546446	-0.1345322446	 1.8595816117	-0.243823
+C	-4.5141216492	-0.5140538971	 0.5041507469	-0.095778
+C	-3.2790516649	 0.2471036398	 0.0082716287	-0.061544
+H	 0.4383538755	-0.1485894422	 1.4764594063	 0.283979
+H	-0.879502154	 1.4723279764	-0.4377747795	 0.098533
+H	-1.6865864129	-1.2950462632	 0.72966904	 0.08318
+H	-1.5439747856	 0.9838612247	 2.5609806933	 0.083183
+H	-3.187399105	 2.4894013901	 0.5769839943	 0.071522
+H	-4.2101827337	 1.5048555274	 2.9702372492	 0.106956
+H	-5.2605724093	 1.8521615038	 1.5739652017	 0.086129
+H	-4.4046056354	-1.6021240496	 0.4735174313	 0.106955
+H	-5.3912369299	-0.2358892873	-0.1039567198	 0.086129
+H	-3.3154745876	 0.4428047535	-1.0676342159	 0.071523
+19
+0 2815	4.2184752	1.163912	1.0555	1.7856	74.38	-0.23532	0.07167	0.30699	1163.4482	0.158293	-422.528493	-422.520689	-422.519745	-422.56066	30.262
+O	 0.3317748531	 0.0559107448	 0.6223456717	-0.442184
+C	-0.8913736518	 0.7315505699	 0.5576447373	 0.13557
+C	-2.1576137313	-0.0572979102	 0.3973784164	-0.119877
+C	-1.6086628051	 0.8130665066	-0.7597776877	-0.146762
+C	-2.8171099741	 1.7470511955	-0.6459684962	 0.100402
+O	-3.7447857489	 1.6635988222	-1.7085977159	-0.258006
+C	-4.5167249852	 0.4787216398	-1.5438696141	-0.084869
+C	-4.6908303257	 0.3198193385	-0.0263684249	-0.235932
+C	-3.3731955764	 0.864723725	 0.539902298	-0.065363
+H	 0.3289015685	-0.6518442255	-0.0308269346	 0.284132
+H	-0.8590538121	 1.5893237711	 1.2272859551	 0.100579
+H	-2.160860903	-1.1365789176	 0.5138108839	 0.080889
+H	-1.1218051316	 0.528658944	-1.686856294	 0.088127
+H	-2.602342264	 2.8070404057	-0.4802905752	 0.079389
+H	-5.4570798062	 0.6186080578	-2.0831993092	 0.109318
+H	-3.9981235818	-0.3904074193	-1.9750571998	 0.09406
+H	-5.5241103484	 0.9380241897	 0.3215781206	 0.107899
+H	-4.8894811216	-0.7139065876	 0.2703358074	 0.101444
+H	-3.4974548746	 1.3374075296	 1.5185245113	 0.071181
+19
+0 2816	2.5787778	1.5043165	1.2878997	1.0085	75.38	-0.23659	0.0733	0.30989	1066.6375	0.155904	-422.513069	-422.504384	-422.50344	-422.545676	33.665
+C	 0.028083317	 2.3640141409	 3.5305763082	-0.529012
+C	-0.8257675946	 1.7665556695	 2.4614934266	 0.275491
+C	-1.2559816758	 0.3329986306	 2.1349020045	-0.243057
+C	-0.8283933376	 0.4805041857	 0.6790343667	 0.159088
+O	 0.4880998831	 0.0514374458	 0.4040137431	-0.446361
+C	-0.9897371661	 2.0134611387	 0.8952394109	-0.155263
+C	-2.5160054555	 2.2133808778	 1.1181087388	-0.306707
+C	-2.2899354364	 1.4461739148	 2.418180205	 0.34681
+O	-3.1151214149	 1.395886883	 3.5230970924	-0.467206
+H	-0.2420767888	 1.9473600505	 4.5064165978	 0.136191
+H	 1.0949280162	 2.1713310606	 3.3674589773	 0.112832
+H	-0.1061054498	 3.4505197053	 3.5870997234	 0.126327
+H	-1.2033336755	-0.539911442	 2.7758030612	 0.084442
+H	-1.4512067288	 0.0289935397	-0.1011400652	 0.076174
+H	 1.0435539405	 0.326991464	 1.1426154545	 0.277811
+H	-0.4094121164	 2.709377231	 0.2922255159	 0.07593
+H	-2.7715519057	 3.2579453663	 1.3184964267	 0.104366
+H	-3.1945309643	 1.8031151746	 0.3600866915	 0.085643
+H	-3.7612724667	 0.6928559932	 3.3927995107	 0.2865
+19
+0 2817	2.6005423	1.5004373	1.2914318	2.6717	75.36	-0.23286	0.06353	0.29639000000000004	1071.2888	0.156056	-422.509739	-422.501141	-422.500197	-422.542244	33.533
+C	-4.5196715525	-0.0434799375	 1.3147264458	-0.508768
+C	-3.0453177361	 0.1388717861	 1.5190301737	 0.248763
+C	-2.1919037733	-0.3207471007	 2.7061689833	-0.285964
+C	-1.0694181642	 0.5924923208	 2.1502649604	-0.178832
+C	-0.664725672	-0.0881417728	 0.8093519329	 0.163008
+O	 0.3745282403	 0.5545599037	 0.1061030757	-0.448412
+C	-2.0653565835	 0.2640048734	 0.3123459326	-0.200142
+C	-2.1990708787	 1.3733002638	 1.3228586312	 0.304324
+O	-2.4884727998	 2.6953878962	 1.0985541355	-0.45563
+H	-5.0813731404	 0.2545066919	 2.2081280713	 0.113893
+H	-4.8796257538	 0.5642935534	 0.4778865531	 0.125834
+H	-4.7713687173	-1.0882958186	 1.0995751504	 0.124488
+H	-2.6021235351	 0.040883715	 3.6548623396	 0.090317
+H	-1.9558660906	-1.3878683151	 2.79719869	 0.090826
+H	-0.3006218173	 1.0226996815	 2.789438	 0.073584
+H	-0.3774465707	-1.1434299603	 0.8675059706	 0.078033
+H	 0.0967028717	 1.4644896326	-0.0562350845	 0.284072
+H	-2.4439681246	 0.2366687191	-0.7024028774	 0.089455
+H	-2.9123848121	 3.0582935774	 1.8851463156	 0.291152
+19
+0 2818	2.583236	1.5445103	1.2808511	2.7914	75.09	-0.22112	0.06547	0.28659	1075.4032	0.155115	-422.500954	-422.492107	-422.491163	-422.53383	33.624
+C	-4.1743348035	-0.1389632545	 2.6224971176	-0.507642
+C	-3.0318314207	-0.0008345522	 1.6749679608	 0.427897
+O	-2.955156967	-0.884636209	 0.5439830436	-0.328474
+C	-1.929937192	 0.0027332979	 0.0262840795	-0.029792
+C	-0.7203643203	-0.2529817863	 0.9701806159	 0.153062
+O	 0.4491224175	 0.4644096873	 0.6424032896	-0.443302
+C	-1.5892404992	 0.3879372578	 2.0502094853	-0.265677
+C	-2.4034581899	 1.1664864836	 0.9901491213	 0.203196
+C	-2.7830536835	 2.6014338451	 0.8158148908	-0.530292
+H	-4.1340934775	 0.6439798362	 3.3856811127	 0.125465
+H	-5.129038055	-0.0595648593	 2.0931672246	 0.132779
+H	-4.142187748	-1.1089409178	 3.1297322065	 0.137128
+H	-1.8363972649	 0.0075520532	-1.0587110661	 0.085851
+H	-0.4237656401	-1.2995982565	 1.0825203475	 0.091365
+H	 0.2529311541	 1.4045075491	 0.7270240267	 0.281216
+H	-1.3064439031	 0.6954154292	 3.0505934246	 0.087759
+H	-3.1206115169	 3.0291611443	 1.7661690534	 0.12796
+H	-1.942152923	 3.210576916	 0.4636928323	 0.118801
+H	-3.598434657	 2.7127613958	 0.0921537735	 0.132701
+19
+0 2819	2.6245239	1.5394116	1.2848699	0.9546	75.5	-0.22109	0.0665	0.28759	1080.8566	0.155323	-422.497366	-422.488695	-422.487751	-422.530002	33.403
+C	 1.2632585357	-0.5713001623	-1.0549735832	-0.41203
+C	 0.9905400929	 0.1879917981	 0.2376758322	 0.008966
+C	 1.7282567257	-0.3621460717	 1.4605027398	-0.195221
+C	 2.0145358774	 0.8897683022	 2.3553178759	 0.353811
+C	 2.1312683067	 0.8875275986	 3.8403784718	-0.513264
+O	 1.4212382169	 2.0089343558	 1.6907977928	-0.317696
+C	 1.8811543121	 1.4462498516	 0.4354436517	-0.023381
+C	 2.9276049059	 0.5311780897	 1.2267675071	 0.263163
+O	 4.2459094633	 0.1902224576	 1.0895782706	-0.450353
+H	 0.7734023575	-1.5504081432	-1.0488710074	 0.11723
+H	 0.8867165567	-0.0162554617	-1.921609499	 0.112201
+H	 2.3367713857	-0.7377161983	-1.1968054078	 0.127099
+H	-0.0788984089	 0.3929057847	 0.3623041244	 0.071182
+H	 1.7127880131	-1.3612711484	 1.8793347444	 0.088754
+H	 2.6837340462	 0.0033280969	 4.1717633438	 0.131496
+H	 2.6613581356	 1.7783520707	 4.1932282894	 0.12734
+H	 1.1435004788	 0.8690039528	 4.3129436484	 0.135368
+H	 2.0469852265	 2.1860653073	-0.3466005575	 0.081529
+H	 4.787163422	 0.9456618396	 1.3486644826	 0.293805
+19
+0 2820	2.606117	1.49952	1.2972997	1.5318	75.22	-0.22552	0.05704	0.28256	1072.1416	0.155843	-422.506404	-422.497805	-422.496861	-422.538862	33.624
+C	 1.2717795224	 1.1812300991	 0.1346632568	-0.405042
+C	 1.0423489684	-0.3242882492	 0.0990804948	 0.030112
+C	 1.8319043649	-1.0568207129	-0.9845161642	-0.192365
+C	 2.0999166636	-2.493728623	-0.4575052268	 0.335333
+O	 2.3496232721	-3.4844882931	-1.3828518775	-0.469454
+C	 1.4448023165	-2.6096980875	 0.9152771511	-0.303668
+C	 1.8996754696	-1.1324783874	 1.1205356678	-0.145118
+C	 2.9814927843	-1.3537127018	-0.0376108486	 0.294243
+O	 4.3445308982	-1.2488412188	-0.1152210382	-0.457538
+H	 0.8450370362	 1.6235447909	 1.0417379947	 0.11292
+H	 2.3423601087	 1.4187534594	 0.119292014	 0.098115
+H	 0.8114401077	 1.6757495922	-0.727574399	 0.115394
+H	-0.0323504699	-0.5436569717	 0.1413783549	 0.062988
+H	 1.867825631	-0.8836705711	-2.0533512984	 0.088658
+H	 3.0839401379	-4.0186509897	-1.0597232237	 0.289636
+H	 0.3702057301	-2.814946471	 0.9782377171	 0.09185
+H	 1.9939301948	-3.2997815321	 1.564084198	 0.092349
+H	 2.0940812003	-0.7446600892	 2.1190655069	 0.070065
+H	 4.579162373	-0.326229153	-0.2652585797	 0.29152
+19
+0 2821	2.5685119	1.7221424	1.1981226	2.6109	75.52	-0.24549	0.06825	0.31374	1062.1507	0.156115	-422.500384	-422.492068	-422.491124	-422.532484	33.105
+C	-3.7689171637	 0.7791608156	 0.9752246091	-0.515907
+C	-2.6137241299	-0.0845869672	 1.3991123708	 0.343852
+C	-2.6653474399	-1.4041321396	 2.2155801373	-0.369928
+C	-1.1778546692	-1.1682477475	 1.9174369481	 0.378003
+O	-0.0696750824	-1.9601492779	 2.2004157214	-0.481422
+C	-1.446514553	-0.6184648907	 0.4847305023	-0.174812
+C	-0.5824175456	 0.6348464227	 0.7478380947	 0.15081
+O	 0.8139693291	 0.5275581101	 0.6766221128	-0.460193
+C	-1.2895939643	 0.3920799071	 2.1008709419	-0.20882
+H	-4.3232620894	 1.1473847455	 1.8455716373	 0.121275
+H	-3.4302841649	 1.6488107816	 0.4024858025	 0.126364
+H	-4.4698198054	 0.2177432462	 0.3477916526	 0.122552
+H	-2.9877126353	-1.3195517723	 3.2599083703	 0.08589
+H	-3.1373577999	-2.2649101646	 1.7300051535	 0.095762
+H	 0.0199512278	-2.0322564525	 3.157492484	 0.287014
+H	-1.561604977	-1.2205369446	-0.4184202984	 0.071986
+H	-0.8557958332	 1.5452766979	 0.206285646	 0.076841
+H	 1.0594007551	-0.2984932666	 1.1132623387	 0.286315
+H	-1.2232804288	 0.943919677	 3.0412212053	 0.064418
+19
+0 2822	2.5039482	1.7405255	1.1945191	2.299	75.71	-0.22279	0.07389	0.29668	1075.5042	0.154485	-422.487664	-422.478925	-422.47798	-422.520263	33.795
+C	-3.3311668406	 2.4833890419	 0.9279670429	-0.527214
+C	-1.8396296817	 2.5796068972	 0.9474249819	 0.458645
+O	-1.219476147	 3.8342550669	 1.3708319581	-0.390539
+C	-0.0855616459	 2.9618327553	 1.0591697396	 0.477029
+C	 1.3026149107	 3.4862899799	 1.2221011776	-0.529793
+C	-0.7891447516	 2.3035728088	-0.1788547101	-0.206109
+C	-0.5222538289	 0.8886163002	 0.3427641104	 0.098962
+O	 0.7853723429	 0.4249225398	 0.0790092949	-0.44108
+C	-0.7694386464	 1.6775091154	 1.6461926216	-0.239568
+H	-3.7394149474	 2.6538231712	 1.9289648833	 0.134415
+H	-3.7539291211	 3.2327992627	 0.2517014937	 0.135548
+H	-3.6482553944	 1.4924085432	 0.5882972444	 0.126308
+H	 1.4824559667	 3.7808798351	 2.2610065783	 0.1272
+H	 2.0184193916	 2.7105903639	 0.9400645919	 0.144312
+H	 1.4577557293	 4.3628797596	 0.5851686123	 0.129934
+H	-0.8062011889	 2.6781553203	-1.2024349646	 0.078676
+H	-1.2754021491	 0.1301829975	 0.0882946895	 0.06665
+H	 0.9232041806	-0.3874746279	 0.576097648	 0.283888
+H	-0.7682643288	 1.3491189388	 2.6867906762	 0.072738
+19
+0 2823	2.4617363	1.7502487	1.1893176	2.5222	75.81	-0.24344	0.06905	0.31249	1068.8017	0.155422	-422.493952	-422.485385	-422.484441	-422.526268	33.711
+C	-0.1329403686	-0.1489508361	 0.0670682903	-0.433441
+C	 1.3686100267	 0.0953178197	 0.0422669901	-0.001135
+C	 2.259211972	-0.6531151062	-0.9815752571	-0.133091
+C	 3.517660561	-0.5330920063	-0.0673339569	 0.416484
+O	 4.3561764994	 0.5614789962	-0.1110285654	-0.478123
+C	 3.8662867786	-2.032560026	-0.1728104298	-0.397949
+C	 2.3227924802	-1.956140636	-0.1233019566	 0.408112
+O	 1.4163322778	-2.9911900736	-0.2531143118	-0.473252
+C	 2.3088754746	-0.7696695219	 0.916908326	-0.20652
+H	-0.5760423801	 0.2443028015	 0.9894681249	 0.106404
+H	-0.6237731326	 0.3577621606	-0.771728462	 0.110926
+H	-0.3649433374	-1.2148687769	 0.0025418709	 0.132157
+H	 1.5946020281	 1.1662785411	 0.0995226674	 0.071806
+H	 2.2643896339	-0.6113699412	-2.072193881	 0.072417
+H	 4.9301696098	 0.5379969451	 0.6621903417	 0.284795
+H	 4.3115325842	-2.370925042	-1.1137490896	 0.099816
+H	 4.3678554627	-2.4882312241	 0.6895557139	 0.078945
+H	 1.5565092675	-3.6108390594	 0.4712226693	 0.284557
+H	 2.3702384521	-0.8604084342	 2.0045991557	 0.057092
+19
+0 2824	2.9235689	1.2811713	1.1702361	2.111	75.58	-0.20428	0.07423	0.27851	1138.6556	0.154583	-422.48227	-422.473294	-422.47235	-422.515011	35.022
+C	-1.6877617607	-1.2014233824	-0.739354365	-0.496482
+C	-1.9856391113	-0.1449019241	 0.2824731762	 0.344288
+C	-0.950180852	 0.7959652827	 0.8312178038	 0.019723
+O	 0.2433610122	 0.7959630214	 0.0955311074	-0.435002
+C	-2.1601639944	 1.3645519938	 0.1145965218	-0.251411
+C	-3.4792935323	 1.2933201668	 0.9380163754	 0.392696
+O	-4.6294615049	 1.9294511167	 0.5072802759	-0.454191
+C	-3.3144708076	 0.7600604309	 2.3341321887	-0.377803
+C	-3.2856411349	-0.1875357283	 1.1416776249	-0.177087
+H	-1.4838705918	-2.1658745906	-0.2570171594	 0.115171
+H	-2.5354462716	-1.3439560695	-1.41925377	 0.116208
+H	-0.8107045507	-0.9254471509	-1.3281889625	 0.138709
+H	-0.7999557392	 0.9291901197	 1.9009339649	 0.080277
+H	 0.5683286467	 1.7016621431	 0.0625134415	 0.287832
+H	-2.0565829137	 1.9495785718	-0.7913883505	 0.090531
+H	-4.6443274151	 2.8148566608	 0.888999584	 0.283783
+H	-2.4630740792	 0.9544466234	 2.9767872061	 0.111389
+H	-4.2595391986	 0.7102558455	 2.8680745917	 0.114223
+H	-4.0082276708	-0.9886202107	 1.0498162452	 0.097147
+19
+0 2825	3.051312	1.2792774	1.1849314	2.2427	75.37	-0.19259	0.06219	0.25478	1136.0943	0.154878	-422.48311	-422.474327	-422.473383	-422.515629	34.628
+C	-4.5049020006	 2.1822668949	 0.3684487589	-0.487273
+C	-3.3877227607	 1.3325829432	 0.8995389878	 0.350405
+C	-3.3291119882	 0.8127667956	 2.3146413632	-0.358538
+C	-3.3584009124	-0.1652464298	 1.1622190432	-0.164028
+C	-2.0229731853	-0.2716870654	 0.4024086806	 0.44291
+O	-1.7887054084	-1.3589057939	-0.4033421902	-0.467853
+C	-0.9109890003	 0.5778494469	 0.9376066159	-0.025297
+O	 0.2570822116	 0.3227119123	 0.189897256	-0.447552
+C	-2.0274720222	 1.239176183	 0.1399325453	-0.272314
+H	-5.4482682659	 1.9483639726	 0.8725484145	 0.117452
+H	-4.3017589721	 3.250008804	 0.5199505433	 0.116965
+H	-4.6498129827	 2.0220415445	-0.7063614413	 0.121078
+H	-2.4679591427	 0.9291050755	 2.9625543225	 0.11343
+H	-4.2729065279	 0.8852897759	 2.8493079061	 0.108874
+H	-4.1494263642	-0.8912286126	 1.0237530106	 0.096989
+H	-0.8618036198	-1.2909695928	-0.6739107227	 0.293145
+H	-0.710012899	 0.7803289987	 1.9889226392	 0.084503
+H	 0.6492276224	 1.1632893348	-0.0677609499	 0.294165
+H	-1.806310782	 1.8160918127	-0.7512656231	 0.08294
+19
+0 2826	2.3884273	1.603154	1.2629896	3.2227	75.39	-0.22713	0.05678	0.28391	1090.9863	0.154697	-422.487513	-422.478784	-422.47784	-422.520146	33.954
+C	-0.9412273812	 2.4850561772	 4.3708415246	-0.500981
+C	-0.8104680808	 1.4899868001	 3.2683420827	 0.432184
+O	 0.4065099407	 0.698143363	 3.1962691692	-0.31832
+C	-0.8804957625	 0.0336911414	 3.2115949576	-0.108056
+C	-1.5292524805	 0.0589239756	 1.7954620492	 0.219848
+C	-2.7079234054	-0.8114074485	 1.4680455217	-0.493003
+C	-0.6900910993	 0.8051418008	 0.7910537447	 0.105889
+O	 0.6746074685	 0.7201336984	 0.5657984261	-0.430762
+C	-1.4156528429	 1.6172007134	 1.8411046407	-0.272029
+H	-0.5520947634	 2.0721296047	 5.3050605908	 0.136817
+H	-0.3841811687	 3.3991685874	 4.1360244577	 0.136473
+H	-1.9909172223	 2.7601136831	 4.5162593129	 0.130755
+H	-1.0354152477	-0.7169574584	 3.9789947296	 0.107154
+H	-3.4792970821	-0.7639016343	 2.2466241093	 0.116616
+H	-3.1707227117	-0.5044241857	 0.5248935619	 0.124745
+H	-2.4066249536	-1.8611929757	 1.3636954161	 0.12682
+H	-1.2032784959	 0.8703319554	-0.1677939022	 0.104137
+H	 1.0781158898	 0.6818627924	 1.4440161543	 0.293516
+H	-2.1740411109	 2.3537229995	 1.5997143131	 0.0882
+19
+0 2827	3.0180605	1.2961749	1.1632465	2.6516	75.51	-0.21907	0.06433	0.2834	1155.8035	0.153999	-422.483819	-422.474789	-422.473845	-422.516721	34.703
+C	-0.2658251146	 0.1444645757	 0.0780357049	-0.422141
+C	 1.202359086	-0.092038506	-0.2077314819	-0.043369
+C	 2.0420698519	-0.6533484563	 0.9359072714	-0.25951
+C	 3.5299322505	-0.8963246518	 0.5078098615	 0.422391
+C	 4.4738518469	-1.872780459	 1.1265281742	-0.501291
+O	 3.671088715	-0.5922739332	-0.8961569938	-0.280191
+C	 3.6638680879	 0.4865472436	 0.0543040882	-0.150757
+C	 2.1864335755	 0.7988095212	 0.4814560521	 0.351129
+O	 1.8044421204	 1.9894079538	 1.0664112095	-0.451832
+H	-0.4257935539	 0.5011925629	 1.0988718248	 0.118683
+H	-0.6728800421	 0.9008830731	-0.6006217507	 0.124779
+H	-0.8395543764	-0.777673465	-0.0606435399	 0.115233
+H	 1.4316859864	-0.4305500581	-1.2120874192	 0.109683
+H	 1.5936852196	-1.0590301811	 1.8342168912	 0.087249
+H	 4.469243642	-1.7777369843	 2.2175213757	 0.123393
+H	 4.1862711121	-2.9010561403	 0.8791934895	 0.133223
+H	 5.490312542	-1.70283477	 0.761874453	 0.134875
+H	 4.4986573254	 1.1805238109	 0.0436445859	 0.100927
+H	 2.2647718354	 2.0829907239	 1.9077809236	 0.287527
+19
+0 2828	2.9458853	1.2785536	1.1724417	1.4482	75.41	-0.20279	0.07314	0.27593	1144.8654	0.15468	-422.483156	-422.474261	-422.473316	-422.515809	34.911
+C	-0.1448190116	 0.2017883492	-0.1906456936	-0.425998
+C	 1.3595765368	 0.0170049686	-0.1722032218	-0.09243
+C	 2.1774680316	 1.1959902901	 0.3455769692	-0.22822
+C	 3.7227132596	 0.9795637338	 0.3224265819	 0.412037
+O	 4.6152124158	 2.0296745022	 0.4149651526	-0.452201
+C	 4.1637002246	-0.3227933029	-0.2489954117	-0.343577
+C	 3.5674538371	-0.2903647311	 1.1507596778	-0.225081
+C	 2.0248784159	-0.0472299571	 1.1811361474	 0.383672
+O	 1.3224032515	-0.1564898124	 2.3705254401	-0.455862
+H	-0.4831775639	 0.7818481266	 0.6717822101	 0.130725
+H	-0.4633495938	 0.71863126	-1.1017488759	 0.119175
+H	-0.6580529544	-0.7660482037	-0.1604850821	 0.11181
+H	 1.7355041919	-0.5784177421	-0.9989602118	 0.078353
+H	 1.7273906585	 2.1719375135	 0.4838743774	 0.090474
+H	 4.3980372333	 2.5389646566	 1.2044467917	 0.285788
+H	 3.6894247254	-0.8097726079	-1.0945337135	 0.113256
+H	 5.2445595067	-0.4333237443	-0.235590247	 0.119449
+H	 4.1145907663	-0.6294865045	 2.0212951052	 0.093777
+H	 1.0586617087	-1.0780187246	 2.4794575639	 0.284851
+19
+0 2829	3.1807968	1.241084	1.0295125	1.3552	76.64	-0.24669	0.07262	0.31931	1198.3107	0.155265	-422.504582	-422.495848	-422.494904	-422.537501	33.493
+C	 0.8527860106	 1.5928342055	-2.5926627411	-0.497247
+C	 0.3279541153	 0.2354863982	-2.23020965	 0.326347
+C	-0.0183996825	-0.8747822275	-3.2414360456	-0.39953
+C	-1.2536190252	-1.2100123503	-2.3826286799	 0.472239
+C	-2.5708770384	-1.6664244135	-2.8188762545	-0.272966
+O	-1.6971710127	-2.5253230045	-2.0709316358	-0.279002
+C	-0.8970210228	-0.1651942993	-1.3643787097	-0.257935
+C	 0.5249595262	-0.3951402039	-0.8870124486	 0.054819
+O	 0.9918990049	 0.4819779236	 0.0963108087	-0.435102
+H	 0.9340105836	 2.2236788906	-1.7051369679	 0.140492
+H	 1.8505134127	 1.5158548564	-3.0415774469	 0.120908
+H	 0.2002604906	 2.0907274942	-3.3184028032	 0.113619
+H	-0.2798918679	-0.4903150926	-4.2312482289	 0.11054
+H	 0.7191423505	-1.6767629179	-3.3503597027	 0.10892
+H	-3.4645788422	-1.3358085463	-2.2896055836	 0.112545
+H	-2.7290305846	-1.9487295857	-3.859762629	 0.112411
+H	-1.5756223955	 0.4585036022	-0.79327661	 0.087516
+H	 0.9127502873	-1.4138818423	-0.81009952	 0.090727
+H	 0.58310902	 0.2346289931	 0.9321490687	 0.290699
+19
+0 2830	3.1762434	1.2841415	1.0580057	0.7281	76.78	-0.21634	0.06662	0.28296	1184.9853	0.154759	-422.494604	-422.485826	-422.484882	-422.52745	33.925
+C	 1.2082691842	-1.7772605444	-1.9045957184	-0.501645
+C	 0.5196065066	-0.4614243208	-2.0309331745	 0.415715
+O	-0.7623916023	-0.4133361589	-2.6838087122	-0.347463
+C	-0.3984430636	 0.8347508967	-3.3070433324	 0.46921
+C	-1.4128699795	 1.8723317834	-3.6482647724	-0.341013
+C	-0.693698984	 1.0915803073	-4.7452524943	-0.345032
+C	 0.9133060374	 0.9014427932	-2.577876771	-0.30266
+C	 0.6421210333	 0.7189041696	-1.0988896639	 0.012599
+O	 1.8061291037	 0.8024493596	-0.3283411873	-0.425915
+H	 0.5891647306	-2.4807624524	-1.335317131	 0.127748
+H	 1.4071083951	-2.2192855157	-2.8855418021	 0.131631
+H	 2.1586007007	-1.6471068712	-1.3801048433	 0.130583
+H	-2.4525825336	 1.6234025466	-3.4657616586	 0.12528
+H	-1.1609539816	 2.9170200933	-3.4991370373	 0.118538
+H	-1.2626308529	 0.3339174024	-5.2731309094	 0.125097
+H	 0.0525904732	 1.6039529841	-5.3438587406	 0.115977
+H	 1.8589437357	 1.2728117496	-2.9492637413	 0.109169
+H	-0.2602937968	 1.146906561	-0.6574613324	 0.090718
+H	 1.6953546738	 0.2313937866	 0.4394932321	 0.291462
+19
+0 2831	3.179596	1.2483302	1.0340817	1.5623	76.57	-0.25057	0.06859	0.31916	1199.7871	0.1551	-422.504548	-422.495732	-422.494788	-422.537585	33.619
+C	 3.0587444507	 1.0038183134	 1.1197666437	-0.433024
+C	 2.1518086328	-0.118998521	 0.6631236295	-0.071373
+C	 2.5626497662	-1.5367623643	 1.0398659153	-0.225927
+C	 2.6601392185	-1.0458794925	-0.4071091036	 0.384317
+O	 3.8277170936	-0.8239602539	-1.1145566441	-0.458973
+C	 1.5614817576	-2.0265393506	-0.855254944	-0.403674
+C	 1.485201103	-2.4995947883	 0.6123298697	 0.476298
+C	 1.1665884037	-3.8280637014	 1.1281701739	-0.272994
+O	 0.2758251983	-2.7184731714	 1.3245685247	-0.277407
+H	 2.8462334279	 1.2813785965	 2.1570895846	 0.123523
+H	 4.1110788541	 0.7156458216	 1.0501879362	 0.130923
+H	 2.9180395973	 1.898742303	 0.5027785393	 0.112533
+H	 1.0887293102	 0.1191277909	 0.6809107312	 0.089272
+H	 3.3465946391	-1.7207043924	 1.7648675301	 0.093116
+H	 3.6822078101	-0.0870268796	-1.7186911505	 0.28826
+H	 0.6479819061	-1.5930621767	-1.2749213425	 0.103259
+H	 1.9457547231	-2.8003631688	-1.5248728581	 0.114796
+H	 0.8094271015	-4.6018523217	 0.4488602467	 0.112946
+H	 1.6591154662	-4.1946726927	 2.0285634279	 0.114128
+19
+0 2832	3.3281838	1.2289508	1.0327142	2.1818	76.45	-0.21719	0.06335	0.28054	1191.2951	0.155833	-422.50528	-422.49676	-422.495816	-422.53782	33.642
+O	 0.3201636793	-0.1461216505	 0.6253273042	-0.447368
+C	-0.8358644301	 0.6088615852	 0.3577237111	 0.006258
+C	-2.1599169962	-0.0365488797	 0.7281840615	-0.304347
+C	-3.2793946965	 0.8743824855	 0.2701080481	 0.397471
+C	-3.8640396013	 2.0529820404	 0.998078148	-0.323988
+C	-4.7040912525	 0.8215501383	 0.7248672071	-0.335427
+C	-2.7929882808	 0.8160243345	-1.1977453839	-0.38691
+C	-1.6305891851	-0.0463491928	-0.7298048711	 0.446319
+O	-1.0930815027	-1.0379535445	-1.5115521332	-0.466522
+H	 0.4065075061	-0.2578553621	 1.5772129371	 0.294947
+H	-0.6940125372	 1.6906728408	 0.4258099457	 0.083833
+H	-2.2247309999	-0.8166725962	 1.4796789476	 0.084411
+H	-3.5462270446	 2.23730782	 2.019432913	 0.108628
+H	-4.0819307695	 2.9515097499	 0.4297042723	 0.111529
+H	-4.950965342	 0.1763691105	 1.5621655714	 0.111439
+H	-5.4837470476	 0.8903653695	-0.0274696437	 0.1121
+H	-3.4785793326	 0.2522690057	-1.8364462495	 0.117394
+H	-2.5344486423	 1.761195893	-1.6882673033	 0.096455
+H	-0.2448355744	-1.2688268774	-1.1064560023	 0.293779
+19
+0 2833	2.4725861	1.5381408	1.2198477	2.6644	74.82	-0.24003	0.06344	0.30347	1086.1232	0.156181	-422.512065	-422.503469	-422.502525	-422.544673	33.311
+C	-2.6439127371	-4.2232338419	 3.8041294054	-0.526631
+C	-2.6936101233	-3.3840151002	 2.5681383459	 0.300105
+C	-3.7670863267	-2.4844882575	 1.983354553	-0.167323
+C	-2.3756318301	-1.9228201543	 2.3087689936	-0.167323
+C	-1.4593968369	-2.2691179328	 1.1358795828	 0.153109
+O	-0.096944579	-2.3867582216	 1.4827028373	-0.445464
+C	-2.2486686152	-3.6044003082	 1.0459916858	-0.196969
+C	-3.6756563946	-3.1637424704	 0.6175818274	 0.153109
+O	-4.6062958398	-4.2070198197	 0.4281462926	-0.445464
+H	-3.2170441087	-5.1518441208	 3.6941001914	 0.118938
+H	-1.6177008436	-4.5062038259	 4.0681754508	 0.118938
+H	-3.063680835	-3.6770978842	 4.6562199472	 0.129535
+H	-4.6540641888	-2.0977255333	 2.472734718	 0.089955
+H	-2.2501332524	-1.1273686873	 3.0349335742	 0.089955
+H	-1.4789166283	-1.6283243609	 0.2477867204	 0.082677
+H	-0.0466400155	-2.8733935323	 2.3137074866	 0.277125
+H	-1.7892658796	-4.4925668382	 0.6146184796	 0.075928
+H	-3.7468394807	-2.5438101176	-0.2825973245	 0.082675
+H	-4.6351713146	-4.7256152728	 1.2406351127	 0.277125
+19
+0 2834	2.5442537	1.5368501	1.2407166	1.4548	75.19	-0.23156	0.0751	0.30666	1083.3604	0.156324	-422.508271	-422.499864	-422.49892	-422.540639	33.045
+C	 1.2128865405	 1.3413621636	 0.0157248221	-0.409641
+C	 0.977849734	-0.1630446102	 0.0707218183	 0.007417
+C	 1.71562641	-0.9441330823	-1.0215815463	-0.124296
+C	 1.9869243388	-2.3722689652	-0.4673185164	-0.171522
+C	 1.4482264444	-2.4088040768	 0.9513648629	 0.125549
+O	 2.2419761377	-3.3024438058	 1.7132807385	-0.452074
+C	 1.8926364361	-0.9239088698	 1.0731772029	-0.186779
+C	 2.8953305215	-1.2115555679	-0.1420305196	 0.391511
+O	 4.2229877783	-0.9731139691	-0.3591931014	-0.459212
+H	 0.8351512846	 1.8319982193	 0.9195669579	 0.10914
+H	 2.2811565637	 1.5669881833	-0.0726526719	 0.127528
+H	 0.703518898	 1.7894256847	-0.8446157735	 0.111858
+H	-0.0940193277	-0.3773781888	 0.1779274477	 0.058834
+H	 1.7112943876	-0.7740638651	-2.0915436972	 0.088127
+H	 2.1642138027	-3.2065622792	-1.133696193	 0.091746
+H	 0.3761439892	-2.6099522269	 1.0982381944	 0.056464
+H	 2.0007021724	-3.1909046659	 2.6387966804	 0.279805
+H	 2.1398359355	-0.5020263801	 2.0474600717	 0.061431
+H	 4.7259211327	-1.6404439179	 0.1228687924	 0.294116
+19
+0 2835	3.1103741	1.4049688	1.1631183	0.5188	75.25	-0.25364	0.06138	0.31501999999999997	1091.2431	0.155745	-422.494341	-422.485712	-422.484768	-422.527019	33.261
+C	 0.9280704351	 3.9172020537	 1.2292258274	-0.535015
+C	-0.405202509	 3.217025506	 1.1733747979	 0.287037
+C	-1.7596822332	 3.8154566639	 1.6151444862	 0.104842
+O	-2.2517668777	 4.9656669565	 0.9747967986	-0.44918
+C	-2.1417942582	 2.4166539252	 1.1103472351	-0.100108
+C	-0.8348746342	 1.7958805912	 1.7181139516	-0.150232
+C	-0.5238418375	 1.0892565777	 0.3830543536	 0.145595
+O	 0.780115783	 0.6891218947	 0.0569390704	-0.444514
+C	-1.0821816315	 2.4626283515	-0.0505751466	-0.175202
+H	 1.2406559403	 4.0815325624	 2.2663396334	 0.129322
+H	 1.7309240825	 3.3721172173	 0.7204749617	 0.109181
+H	 0.8515013736	 4.8991688984	 0.748855899	 0.133757
+H	-1.8792608347	 3.9939419191	 2.6890744869	 0.080745
+H	-2.220209971	 4.8184993149	 0.0228776235	 0.281248
+H	-3.114683788	 1.9263275986	 1.0662512458	 0.075509
+H	-0.7167249166	 1.4383857379	 2.7426675223	 0.072847
+H	-1.1648634905	 0.2343715349	 0.1450008845	 0.084206
+H	 1.3934465078	 1.3751466728	 0.3366057146	 0.281805
+H	-1.2305298401	 2.8493867434	-1.0613863058	 0.068157
+19
+0 2836	3.1914881	1.4128687	1.1847399	1.2758	75.37	-0.24497	0.06322	0.30818999999999996	1091.915	0.155877	-422.494839	-422.486363	-422.485419	-422.527211	33.138
+C	-0.0030906064	 0.2844186371	 0.1962054347	-0.427842
+C	 1.490592285	 0.0959701209	-0.0228790792	-0.00385
+C	 2.3631540875	-0.5322138133	 1.091520312	-0.094381
+C	 3.6526761718	 0.1995892793	 0.5714464087	-0.108013
+C	 3.9924139787	 0.7168086126	 1.9815261747	 0.067643
+O	 4.7367449126	 1.9008607382	 2.1505237635	-0.453803
+C	 2.4576827293	 0.7937278658	 1.907421804	 0.359837
+O	 1.5706577341	 1.1720071717	 2.8954707282	-0.474899
+C	 2.4771505569	 1.2206051027	 0.3718766456	-0.157906
+H	-0.2110414636	 0.7119402361	 1.1800462782	 0.138423
+H	-0.4261356985	 0.9511123033	-0.5641625901	 0.108722
+H	-0.5315955906	-0.6727255884	 0.1208490263	 0.111767
+H	 1.6884916547	-0.3250449729	-1.0169695867	 0.061372
+H	 2.33570534	-1.5374128764	 1.5154416246	 0.072685
+H	 4.3133026097	-0.1674283058	-0.2110471236	 0.079908
+H	 4.4063474525	-0.0121487792	 2.6854920436	 0.085962
+H	 4.4946726677	 2.510129821	 1.4441316479	 0.282213
+H	 1.9154637484	 1.9722386398	 3.3085411839	 0.290429
+H	 2.5519203101	 2.2311986576	-0.0371622764	 0.061732
+19
+0 2837	3.2243342	1.4282758	1.1990717	2.6542	75.21	-0.24693	0.06469	0.31162	1082.1938	0.15639	-422.497345	-422.489099	-422.488155	-422.529518	32.626
+C	-0.7837637006	-0.4092522339	 0.2132775962	-0.4193
+C	-0.2412079475	-1.6077706831	 0.9751536306	-0.070682
+C	 1.2295181272	-1.6091560001	 1.4737695293	-0.068664
+C	 1.3241590621	-3.1704082178	 1.4647693193	-0.166836
+C	 2.6224547734	-3.1509757819	 0.6279585559	 0.141638
+O	 2.9153174003	-4.2390041866	-0.2066076615	-0.456423
+C	 1.8109899875	-1.9656964525	 0.0596316847	-0.139439
+C	 0.4666437277	-2.7475235702	 0.2114963483	 0.372457
+O	-0.0109424202	-3.5835429133	-0.7938077277	-0.482951
+H	-1.0017168422	 0.4228461102	 0.8914490136	 0.116144
+H	-0.0721259065	-0.0518703176	-0.5375949872	 0.119606
+H	-1.7142298044	-0.6636545681	-0.3059121455	 0.117549
+H	-0.959242422	-1.9550974791	 1.7306279781	 0.059239
+H	 1.6977642486	-0.9534437353	 2.204207175	 0.081902
+H	 1.0105570169	-3.8374727015	 2.2700954998	 0.06701
+H	 3.5448536913	-2.902252059	 1.1612871716	 0.077767
+H	 2.1163437758	-4.4337764195	-0.7132681608	 0.286133
+H	 2.0681815711	-1.2684752928	-0.7376320088	 0.077707
+H	-0.7283440084	-4.1180189277	-0.4343312411	 0.287145
+19
+0 2838	2.9915384	1.4322734	1.1224557	2.3799	74.69	-0.24214	0.07021	0.31235	1111.6899	0.156217	-422.513376	-422.504886	-422.503942	-422.545768	33.235
+C	-1.7281283448	-1.4194537892	-0.5271957529	-0.509275
+C	-1.8633801482	-0.0339147028	 0.0314198994	 0.307109
+C	-3.213042345	 0.649961364	 0.2581751972	-0.162222
+C	-2.1895886143	 1.2682736291	-0.683244573	-0.192436
+C	-1.6271927656	 1.9883100717	 0.6187289342	-0.152519
+C	-3.016099552	 1.7704655227	 1.2805169502	 0.150766
+O	-3.9246927381	 2.8398073345	 1.1425344412	-0.443995
+C	-0.8531918998	 0.682795673	 0.9388275094	 0.09746
+O	 0.4719167268	 0.6284880127	 0.4561058199	-0.444812
+H	-1.9183025958	-2.1775706935	 0.2410810516	 0.125526
+H	-2.4333129495	-1.5910172897	-1.3470430686	 0.119078
+H	-0.7151476923	-1.5810637681	-0.9098689423	 0.126179
+H	-4.1395620836	 0.1497610548	-0.0005250677	 0.090243
+H	-2.2420724818	 1.519355549	-1.7331348168	 0.092207
+H	-1.131262931	 2.9557575724	 0.6761299895	 0.07673
+H	-3.0217208832	 1.5181167776	 2.3464481307	 0.083301
+H	-4.0035363146	 3.0316357309	 0.2000369835	 0.277909
+H	-0.7917233454	 0.3849358722	 1.9917987095	 0.080515
+H	 0.4517936782	 0.8772122289	-0.476298355	 0.278237
+19
+0 2839	2.9760305	1.4443431	1.1271918	2.5306	74.52	-0.23784	0.06435	0.30219	1109.3101	0.156092	-422.511397	-422.502995	-422.502051	-422.543618	33.259
+C	 1.0887668148	-0.5308946779	-1.0894828239	-0.430329
+C	 0.9408125175	 0.1218168287	 0.2802738911	-0.051443
+C	 1.8370536195	-0.4982742663	 1.3958943091	-0.111551
+C	 2.9566461582	 0.5766232935	 1.0689181576	-0.206946
+C	 2.1217629345	 1.5107847603	 1.951135056	-0.163614
+C	 1.4820331026	 0.3239743752	 2.6692479505	 0.153332
+O	 2.1543866946	-0.0741714199	 3.842684778	-0.447719
+C	 1.8134419915	 1.3659128581	 0.466905491	 0.401825
+O	 1.8510087217	 2.4944363775	-0.3243557295	-0.467584
+H	 0.6040338771	-1.5119749635	-1.1130850203	 0.120467
+H	 0.6268785702	 0.0816336252	-1.8723886841	 0.114024
+H	 2.1451610689	-0.672932615	-1.3471170241	 0.112573
+H	-0.1213770149	 0.2276213317	 0.5386859115	 0.066174
+H	 1.9821627048	-1.5754051262	 1.460965093	 0.073271
+H	 4.0146166873	 0.5391815963	 0.8554143001	 0.093806
+H	 2.407376355	 2.4743674945	 2.3550407512	 0.095453
+H	 0.4224169648	 0.380060334	 2.9409363603	 0.081878
+H	 3.1011386439	-0.0217432758	 3.6628503703	 0.277654
+H	 2.1421997779	 2.2350775895	-1.2056016978	 0.288728
+19
+0 2840	3.0512613	1.4387358	1.1357417	1.4857	74.7	-0.23124	0.06231	0.29355	1110.9638	0.156199	-422.510993	-422.502648	-422.501703	-422.543181	33.097
+C	 1.1355071619	 1.2674811658	-0.0112353152	-0.406043
+C	 0.931889398	-0.2413844853	 0.0419659656	 0.008349
+C	 1.7759217308	-1.0199160233	-0.9747590681	-0.108883
+C	 2.9105500128	-1.2189109228	 0.025284303	-0.212239
+C	 1.7888336704	-0.9701713079	 1.1196039193	-0.115517
+C	 1.3841281897	-2.465024933	 0.9769230179	 0.072802
+O	 2.0614291095	-3.3609368101	 1.8412748867	-0.458279
+C	 2.0317510931	-2.3983269392	-0.4007114499	 0.36885
+O	 2.3073764467	-3.4643772024	-1.2219725857	-0.466039
+H	 0.6801020093	 1.7551980648	 0.8574760225	 0.112492
+H	 2.2013921427	 1.520081952	-0.0223291022	 0.116721
+H	 0.6800481099	 1.6951426177	-0.9110638999	 0.114099
+H	-0.1409348452	-0.4763229043	 0.0672899368	 0.064521
+H	 1.8724450733	-0.8531785891	-2.0413685846	 0.09278
+H	 3.9663587773	-1.0064967141	-0.051398518	 0.094654
+H	 1.9379662283	-0.5485018926	 2.1128428679	 0.07203
+H	 0.3220795323	-2.7199445026	 1.0590808779	 0.082577
+H	 2.9877851937	-3.088034998	 1.8643506875	 0.277528
+H	 2.6495152755	-4.1688147856	-0.6573375415	 0.289597
+19
+0 2841	4.0866389	1.181869	1.0902812	2.4734	75.34	-0.25161	0.06723	0.31884	1153.5312	0.155669	-422.494715	-422.486372	-422.485427	-422.526908	33.055
+C	-4.4415334528	-1.7846120012	 0.1830138899	-0.474868
+C	-3.4361683282	-1.0189713995	-0.6635996752	 0.425729
+O	-3.8657578391	-0.9360282888	-2.0109318672	-0.484196
+C	-2.8935129115	 0.3294473107	-0.1630300577	-0.083085
+C	-1.8902338664	-0.3563640231	 0.8294080338	-0.115244
+C	-0.7195173128	 0.4827760638	 0.2793235369	 0.142651
+O	 0.5998562504	 0.0146474215	 0.3888856768	-0.449784
+C	-1.5583175386	 0.1673970594	-0.9732861992	-0.100122
+C	-1.923142264	-1.2745763258	-0.4501992512	-0.145334
+H	-4.1464725733	-1.825390766	 1.2347182058	 0.123416
+H	-5.4282518499	-1.3156696058	 0.1157549048	 0.127297
+H	-4.5368370262	-2.8189736658	-0.1724005388	 0.106179
+H	-4.1299123989	-1.8163090725	-2.2980511315	 0.275036
+H	-3.4320178454	 1.2627657263	 0.0074041722	 0.072033
+H	-2.0995476924	-0.6623203306	 1.8550215332	 0.072202
+H	-0.6934574602	 1.5316699409	 0.5911470893	 0.082829
+H	 0.6192407831	-0.9037398424	 0.0982596155	 0.280235
+H	-1.401172467	 0.4530476155	-2.0115888242	 0.084253
+H	-1.3611773266	-2.1977819566	-0.6127141232	 0.060771
+19
+0 2842	2.8553652	1.6264518	1.4567756	2.3449	73.63	-0.24765	0.08795	0.3356	988.5312	0.158257	-422.539508	-422.531837	-422.530893	-422.571136	30.672
+C	-0.8350085207	-3.2975682473	-2.0874493563	-0.495093
+C	-0.0712944134	-2.0132763947	-1.8719812714	 0.311866
+C	 1.4504480831	-2.0720470318	-1.8733425459	-0.159564
+O	 1.9016775395	-0.7454776875	-2.1954834813	-0.283883
+C	 0.7546280928	 0.1117434948	-2.2044815105	 0.01218
+C	-0.4790539385	-0.7383770112	-2.5495750472	-0.12579
+C	-0.7307248784	-0.9230041091	-1.0446645212	-0.167258
+C	 0.2239944685	 0.2398681511	-0.7436872317	 0.151311
+O	 1.1736122236	 0.1504468124	 0.2833708103	-0.454967
+H	-0.6560270525	-4.0050424206	-1.2700542803	 0.126644
+H	-1.9124441677	-3.1135503095	-2.1341145811	 0.123829
+H	-0.5353219118	-3.7839565384	-3.0225141692	 0.122384
+H	 1.8614771232	-2.3815197429	-0.9038515158	 0.104296
+H	 1.8176462741	-2.7644118151	-2.6420271688	 0.103343
+H	 1.0005664744	 1.0131069572	-2.7631488859	 0.084626
+H	-1.1621236957	-0.6417943279	-3.3820808647	 0.090355
+H	-1.6720831556	-1.1155634467	-0.5417333477	 0.083237
+H	-0.3545707324	 1.1608564178	-0.6108436562	 0.082341
+H	 1.9814848777	-0.1722044206	-0.1392232852	 0.290144
+19
+0 2843	3.035588	1.5603033	1.2384458	2.1197	74.44	-0.23072	0.08407	0.31479	1049.187	0.157363	-422.533899	-422.526022	-422.525078	-422.565738	31.288
+C	-3.2783939009	 0.4572526301	-2.3901551072	-0.475811
+C	-1.8116669636	 0.1910830025	-2.2061219908	 0.469881
+O	-1.3503996116	-0.901753501	-2.9863412025	-0.312053
+C	 0.0230684579	-0.6503346586	-3.3063145771	-0.094183
+C	 0.4724103391	 0.3601823624	-2.2561392139	-0.120751
+C	-0.7857001231	 1.2616605687	-2.0786361849	-0.186308
+C	-1.1672758694	 0.4119533897	-0.8454926545	-0.185936
+C	 0.2290527759	-0.2075155452	-0.8164521774	 0.152811
+O	 1.0758238424	 0.3351823707	 0.173982566	-0.443728
+H	-3.6031461517	 1.2944471246	-1.7659692497	 0.119659
+H	-3.4966929039	 0.6948319177	-3.4357632405	 0.126567
+H	-3.8649183616	-0.4240857535	-2.112636002	 0.133261
+H	 0.5688565632	-1.5984756682	-3.2539147326	 0.109033
+H	 0.1100507498	-0.2471677289	-4.3266136111	 0.092866
+H	 1.4499507752	 0.8141224104	-2.4161540183	 0.0771
+H	-0.91361768	 2.3126037044	-2.3052780268	 0.087395
+H	-1.7485217887	 0.6865866423	 0.029449298	 0.08342
+H	 0.3024501021	-1.2940318629	-0.7037392111	 0.089459
+H	 0.9589815789	 1.2925534849	 0.1655318562	 0.277318
+19
+0 2844	2.9407488	1.5838109	1.2287356	2.0135	74.13	-0.23608	0.06287	0.29895	1055.5406	0.157376	-422.528804	-422.520907	-422.519963	-422.560614	31.371
+C	 1.5528873056	-0.633376998	-1.199369813	-0.408242
+C	 1.4443143399	 0.1182870694	 0.1225723055	-0.013802
+C	 2.3563696393	-0.4377357974	 1.2215913703	-0.146547
+C	 3.3846031032	 0.6696044473	 0.9821406894	-0.135203
+C	 2.3096943652	 1.4288104944	 0.171447218	 0.071523
+O	 1.7424170805	 2.4106112949	 1.0307822094	-0.264703
+C	 1.7211115519	 1.8475703049	 2.3448948178	-0.156316
+C	 2.6387358913	 0.6253423187	 2.2761399703	 0.359482
+O	 3.3312786867	 0.2434993006	 3.4207599821	-0.472583
+H	 1.1102962266	-1.6326513922	-1.127067886	 0.114751
+H	 1.0331281348	-0.0931694193	-1.9980254589	 0.116317
+H	 2.600236724	-0.7553767918	-1.4979960288	 0.117082
+H	 0.3912338144	 0.2755906696	 0.3857129926	 0.068703
+H	 2.5466122794	-1.4829197514	 1.4428555909	 0.081206
+H	 4.4611077922	 0.6511352197	 0.8865468145	 0.097311
+H	 2.5589412233	 1.899423388	-0.779256103	 0.082552
+H	 2.1190399214	 2.5751454511	 3.0615464645	 0.110605
+H	 0.6905405521	 1.5981191409	 2.6362622321	 0.090172
+H	 2.7486935383	-0.3053525991	 3.9563331022	 0.287692
+19
+0 2845	2.8509555	1.5635899	1.2124019	0.8884	73.93	-0.24259	0.07159	0.31418	1052.5078	0.158001	-422.541241	-422.533413	-422.532469	-422.572964	31.611
+O	 0.4349618889	-0.0337425251	 0.4592672069	-0.440465
+C	-0.8478110323	 0.4843173251	 0.7464165278	 0.141949
+C	-1.2318108633	 0.3871003512	 2.2203792965	-0.179622
+C	-0.9359563984	 1.8789839153	 2.4242062437	-0.144846
+C	-0.9019162975	 2.0458104527	 0.8766314145	-0.08905
+C	-2.2824933129	 2.5973451573	 0.4861117225	-0.216839
+C	-3.2552078537	 1.9092697622	 1.4810929554	-0.300277
+C	-2.3348375497	 1.3795141463	 2.5835989328	 0.421692
+O	-2.8255547682	 1.2928838213	 3.8863301942	-0.48276
+H	 1.0330391887	 0.2777973822	 1.1489555538	 0.276824
+H	-1.51307308	 0.0322686071	 0.0018872572	 0.076585
+H	-1.0173246999	-0.4457649091	 2.8824038147	 0.083686
+H	-0.3735021372	 2.3914943475	 3.1930366981	 0.092965
+H	-0.0498998303	 2.5510310907	 0.4205781987	 0.071042
+H	-2.3056686577	 3.6832151989	 0.6245862563	 0.102551
+H	-2.5254862252	 2.3927240202	-0.5612223594	 0.099652
+H	-3.9668899719	 2.615701741	 1.917824326	 0.10751
+H	-3.8364852513	 1.1093933565	 1.0084595611	 0.095808
+H	-3.409346918	 0.5282286589	 3.9360901889	 0.283595
+19
+0 2846	2.9321128	1.4891738	1.1750244	0.7725	74.96	-0.24075	0.07644	0.31718999999999997	1082.3498	0.155684	-422.514569	-422.506041	-422.505097	-422.546814	33.797
+C	-0.4665375984	-1.3347967895	 2.4821660542	-0.503298
+C	-1.2758435351	-0.1574512176	 2.0118128267	 0.27885
+C	-2.188035642	 0.6538013049	 2.9817534652	-0.348973
+C	-3.0045234924	 0.9904704241	 1.7383132128	 0.405722
+O	-4.2994118405	 1.4626812633	 1.6854435977	-0.465223
+C	-2.0144281559	 1.219379487	 0.5829231857	-0.192159
+C	-2.4834354109	-0.1831694802	 0.9692021375	-0.216141
+C	-0.61611071	 0.9528793904	 1.1254554465	 0.11523
+O	 0.2982463786	 0.4681607645	 0.1649103637	-0.443342
+H	 0.2345081822	-1.0304429547	 3.2683451173	 0.120627
+H	-1.105281801	-2.1245584012	 2.8907971889	 0.116485
+H	 0.1227755053	-1.7544412366	 1.6610250525	 0.121034
+H	-2.7487989235	-0.0011211288	 3.6557977941	 0.102517
+H	-1.7201027053	 1.4654527806	 3.5534092377	 0.083343
+H	-4.2795112452	 2.4200349807	 1.794959996	 0.286089
+H	-2.3064339067	 1.7994162269	-0.2844438145	 0.08831
+H	-2.9920591583	-0.960471111	 0.417806653	 0.097168
+H	-0.0877490495	 1.7532557524	 1.6561742784	 0.074644
+H	-0.1910796813	-0.1138177551	-0.4294238936	 0.279118
+19
+0 2847	2.98599	1.4866695	1.176881	3.0188	75.23	-0.24231	0.06678	0.30909	1089.1401	0.155641	-422.517119	-422.5085	-422.507556	-422.549494	33.844
+C	-2.7355350535	 3.6250532847	 2.2137997194	-0.500686
+C	-2.0750698777	 2.2840273072	 2.0853738656	 0.348182
+C	-2.7390359427	 0.9169134293	 2.2957336087	-0.354261
+C	-1.3037602023	 0.3418509119	 2.3271636432	 0.339855
+O	-0.9777242943	-0.8528874383	 2.932637481	-0.468641
+C	-0.7645994563	 1.8191992949	 2.6750790403	-0.259794
+C	-0.8636739564	 2.0489313566	 1.1764785129	-0.14484
+C	-0.78296331	 0.5499322088	 0.8778563764	 0.124127
+O	 0.5172285627	 0.0713753752	 0.641000196	-0.440984
+H	-3.2572829205	 3.7187561335	 3.1731845992	 0.117034
+H	-2.000748075	 4.4348698872	 2.1534864704	 0.120177
+H	-3.4717667055	 3.7851670133	 1.4175503179	 0.122347
+H	-3.2197880853	 0.8687906717	 3.2807371012	 0.084092
+H	-3.4239742098	 0.5256629814	 1.5330802516	 0.092617
+H	-1.4066297425	-0.8895174123	 3.794146877	 0.283582
+H	-0.1294809284	 2.2455535731	 3.4389752315	 0.08971
+H	-0.4259209843	 2.852517712	 0.5972117985	 0.08771
+H	-1.4014535775	 0.1388492103	 0.0725691259	 0.079066
+H	 1.0772003393	 0.3707118895	 1.3675874734	 0.280707
+19
+0 2848	2.5659531	1.6441303	1.3574973	2.1939	74.89	-0.23265	0.08645	0.3191	1042.3565	0.155475	-422.517506	-422.509009	-422.508064	-422.549903	33.195
+C	 1.5770103393	 2.7334767043	-3.65505172	-0.505358
+C	 0.9309070835	 1.6763296951	-2.8276069398	 0.472814
+O	 1.3279017371	 0.3038741692	-3.0181299898	-0.374393
+C	 0.1264593751	-0.0681646157	-2.2559318152	 0.359169
+C	-0.4180760461	-1.4193259432	-2.5908965877	-0.516076
+C	-0.4842434156	 1.3582169854	-2.4844913148	-0.261398
+C	 0.4727172283	 1.8077537206	-1.3707815333	-0.227025
+C	 0.5445579473	 0.3809174187	-0.822121691	 0.149632
+O	 1.7449360915	-0.1278874255	-0.321204144	-0.448765
+H	 1.1344757351	 3.709103301	-3.4337940715	 0.129067
+H	 2.6499459246	 2.7907936628	-3.4421664	 0.132878
+H	 1.4485882604	 2.5284875998	-4.7222907865	 0.132636
+H	-1.3354715372	-1.6109384864	-2.0260068052	 0.125461
+H	-0.6382559279	-1.5020517259	-3.6588519988	 0.130918
+H	 0.3140727798	-2.1896946604	-2.3266691062	 0.138873
+H	-1.444224075	 1.7270538121	-2.8164276554	 0.100093
+H	 0.4820008217	 2.7475221209	-0.8331303136	 0.089766
+H	-0.2440229255	 0.1887803888	-0.0897015081	 0.089158
+H	 2.3557505536	-0.1079330217	-1.0713205491	 0.282549
+19
+0 2849	2.9935021	1.4854236	1.1757747	0.9622	74.95	-0.24284	0.07163	0.31447	1083.1788	0.155609	-422.515391	-422.506874	-422.50593	-422.547576	33.865
+C	 0.6483715437	-0.3505815865	-0.7067214278	-0.405329
+C	 0.9018624243	 0.211610764	 0.6871382149	-0.02971
+C	 1.806794282	 1.4487114931	 0.7072469888	-0.134348
+C	 3.0679634222	 0.619926408	 0.8813825109	-0.230861
+C	 2.5817086441	 1.4422877331	 2.0362413624	 0.389223
+O	 3.2079526642	 2.5668933913	 2.5339116681	-0.462857
+C	 2.109841731	 0.2240800236	 2.8302940153	-0.37649
+C	 2.0572007976	-0.4885484433	 1.4491623202	 0.397146
+O	 2.1412452037	-1.8630816378	 1.3295641838	-0.478575
+H	 0.2131309404	-1.3522411555	-0.6475827523	 0.124572
+H	-0.0434039619	 0.2895282349	-1.2644976399	 0.106751
+H	 1.5797994575	-0.4207066388	-1.2778818857	 0.117588
+H	-0.0407033979	 0.2776017693	 1.2473176903	 0.056996
+H	 1.7093574004	 2.3608233594	 0.1311032613	 0.084547
+H	 4.0047990893	 0.6015138338	 0.3445762071	 0.096123
+H	 2.5306576745	 3.1782190158	 2.8441046034	 0.285078
+H	 2.9235657153	-0.1640167471	 3.4534570959	 0.090776
+H	 1.1804294307	 0.274554234	 3.4106282117	 0.086787
+H	 2.858942609	-2.1788713611	 1.8884734417	 0.282583
+19
+0 2850	3.1670674	1.3973139	1.2631747	0.6569	74.14	-0.23995	0.07139	0.31134	1060.7633	0.155957	-422.51323	-422.504911	-422.503967	-422.545271	33.305
+C	-3.3590932353	 0.8924716081	 2.8448311133	-0.471932
+C	-2.3715522867	 2.0295714321	 2.6176729048	 0.42288
+O	-2.5750410714	 3.0557480748	 3.5849342543	-0.483854
+C	-2.2810894751	 2.7206074168	 1.2586899933	-0.091764
+C	-1.2944056299	 1.9371704667	 0.3860018444	-0.126918
+C	-0.8001375203	 2.9428615004	 1.4098777918	-0.104873
+C	-0.8489546723	 1.7309263395	 2.4337024157	-0.169599
+C	-0.7460127502	 0.7739711765	 1.2133339525	 0.143883
+O	 0.5719576123	 0.4062273782	 0.8649230673	-0.448514
+H	-3.1578262271	 0.3841380336	 3.7966560529	 0.106875
+H	-4.3760445783	 1.2945556357	 2.8866950225	 0.126092
+H	-3.3199365848	 0.1421027018	 2.0518500582	 0.126538
+H	-2.4929051015	 2.6530771022	 4.4563174459	 0.273595
+H	-3.0104156334	 3.3916707019	 0.821556277	 0.091431
+H	-1.3081189985	 2.0282930863	-0.6935476347	 0.090587
+H	-0.2085862443	 3.8420297882	 1.3323075128	 0.095593
+H	-0.2088112844	 1.5790882245	 3.3022075269	 0.065401
+H	-1.3017554801	-0.1672317674	 1.2534453793	 0.077031
+H	 1.0715770614	 1.22133468	 0.7327619417	 0.277548
+19
+0 2851	2.793495	1.6346218	1.2384775	2.3021	74.25	-0.24077	0.06919	0.30996	1036.3604	0.156168	-422.515504	-422.507033	-422.506089	-422.547835	33.271
+C	-0.5816806903	-1.3096116075	 2.5107209049	-0.503633
+C	-1.283399726	-0.0739421526	 2.0267683056	 0.235857
+C	-2.507382534	 0.0280576094	 0.9948385772	-0.198417
+C	-2.9049399228	 1.2658591091	 1.774914352	-0.11426
+C	-1.9176521312	 1.3719948526	 0.6143491993	-0.11427
+C	-0.5422754326	 0.979261569	 1.146407422	 0.114893
+O	 0.3172318997	 0.4364139498	 0.1677884099	-0.444707
+C	-2.1209075527	 0.8096234019	 3.0021583713	 0.114898
+O	-2.8921503356	 0.0915695532	 3.9406203701	-0.444717
+H	 0.2153612268	-1.0418824044	 3.2142311049	 0.12575
+H	-1.2711015871	-1.9791841628	 3.034022079	 0.116361
+H	-0.1195674839	-1.8546945743	 1.6819794484	 0.116384
+H	-3.0930609941	-0.684280404	 0.4314539482	 0.093169
+H	-3.8515371577	 1.7927625667	 1.7551324988	 0.093542
+H	-2.1400021618	 1.9767693319	-0.2567845649	 0.093541
+H	 0.0550734098	 1.7295264112	 1.6769487611	 0.079853
+H	-0.2139804513	-0.136379012	-0.3987939211	 0.277952
+H	-1.5689243467	 1.555034306	 3.5860063775	 0.079855
+H	-3.4845167287	-0.4879135933	 3.4460549258	 0.277949
+19
+0 2852	2.8645209	1.6642633	1.2562289	1.754	74.35	-0.24821	0.06927	0.31748	1032.2923	0.156598	-422.519409	-422.511222	-422.510278	-422.551387	32.756
+C	 1.3308304679	-0.5284760404	-1.084910361	-0.407061
+C	 1.072598821	 0.09379075	 0.2820911689	-0.047239
+C	 1.8279638692	 1.4118043378	 0.5164672809	-0.057692
+C	 2.1017450848	 1.5533628623	 2.0184012924	-0.130845
+C	 3.0184912522	 0.7272169369	 1.1314186651	-0.213339
+C	 1.9586118288	-0.4645834561	 1.4148025049	 0.389694
+O	 2.1892618028	-1.8123666924	 1.5249255015	-0.485611
+C	 1.5312808135	 0.3131562261	 2.6863505231	 0.07126
+O	 2.2537922088	-0.1425151574	 3.8221531619	-0.458532
+H	 0.9752475603	-1.5626403371	-1.1110116107	 0.127159
+H	 0.8140799446	 0.0293059329	-1.8731394116	 0.10852
+H	 2.4004799658	-0.5339922504	-1.3191857887	 0.117611
+H	-0.003872336	 0.0944885773	 0.5028453139	 0.060535
+H	 1.8356495678	 2.2832892779	-0.1259819396	 0.090171
+H	 2.2939438295	 2.5181096416	 2.4715545786	 0.091532
+H	 4.0749310873	 0.7908255528	 0.9151491705	 0.093597
+H	 2.41789177	-1.967061978	 2.4538236383	 0.284892
+H	 0.4730712552	 0.2781337212	 2.9679718503	 0.081122
+H	 3.1660168065	 0.1560286447	 3.7175111514	 0.284227
+19
+0 2853	2.6315383	1.7220327	1.2718671	1.9842	73.79	-0.23303	0.08349	0.31651999999999997	1030.4669	0.157693	-422.531327	-422.523584	-422.52264	-422.563158	30.876
+C	 0.4464452478	-0.4649100509	-0.7659516149	-0.409439
+C	 0.9289090283	 0.137006058	 0.5426862639	 0.141518
+O	 1.3642944658	 1.4947068957	 0.3189324656	-0.287733
+C	 2.4023581533	 1.7460113688	 1.2383324627	 0.113099
+C	 3.708322861	 0.9831750532	 1.1084144604	-0.155466
+C	 2.649322757	 0.6120570419	 2.1671392216	-0.155709
+C	 2.1451802961	-0.512115505	 1.2128302416	-0.127053
+C	 3.4548878061	-0.3278406723	 0.3675322451	 0.158273
+O	 4.4332729699	-1.3182069775	 0.602777858	-0.445381
+H	 0.0558629431	-1.4732764075	-0.5959520165	 0.116319
+H	-0.3578974109	 0.1455691442	-1.1856354563	 0.129136
+H	 1.2497342141	-0.5231758324	-1.5047293221	 0.128088
+H	 0.0934218642	 0.1520303969	 1.2626766821	 0.068816
+H	 2.4461037293	 2.7760047251	 1.5721231002	 0.10593
+H	 4.675349686	 1.4594385821	 1.2331181024	 0.086706
+H	 2.6580332285	 0.6419447843	 3.2487280217	 0.090143
+H	 1.9868002499	-1.5184815388	 1.6001637409	 0.074831
+H	 3.3453774846	-0.2800075029	-0.7190147564	 0.09102
+H	 4.621739966	-1.3238039829	 1.54867031	 0.276902
+19
+0 2854	3.0273815	1.4743302	1.2330097	0.4083	73.5	-0.24262	0.07645	0.31907	1050.93	0.158309	-422.542861	-422.535089	-422.534144	-422.574729	31.091
+O	-1.95881072	 3.6844658834	 2.5131371299	-0.444155
+C	-2.1242997785	 2.44079996	 1.8612107305	 0.121327
+C	-2.8619457042	 2.6752502781	 0.5503822483	-0.066009
+C	-2.6399167159	 1.5171316457	-0.4081232197	-0.054326
+C	-2.19210588	 0.1693330404	 0.1568614547	-0.277234
+C	-0.8257537811	 0.4812270155	 0.8321322448	 0.138784
+O	 0.280234047	 0.0842763142	 0.0328331887	-0.440473
+C	-0.8699293498	 2.0001134756	 1.0322977752	-0.116507
+C	-1.5693060639	 2.5642710939	-0.2412823792	-0.1012
+H	-1.3550788571	 3.552743772	 3.2516153286	 0.280362
+H	-2.5388600804	 1.6916352696	 2.5550443338	 0.056578
+H	-3.6840731717	 3.37007536	 0.4269832431	 0.090965
+H	-3.2551411532	 1.5438795134	-1.300705171	 0.087158
+H	-2.9157501111	-0.24675399	 0.8661609796	 0.102856
+H	-2.0424251593	-0.576167801	-0.6296643539	 0.104927
+H	-0.7010389582	-0.0574215563	 1.7770313334	 0.081001
+H	 0.2289297604	 0.5771242626	-0.7945143431	 0.279756
+H	 0.0728686634	 2.4392130608	 1.3585844884	 0.069616
+H	-1.1659128063	 3.2052142221	-1.0133743421	 0.086574
+19
+0 2855	3.8025083	1.3127462	1.1542272	1.5569	74.73	-0.23288	0.07853	0.31141	1103.4688	0.157724	-422.522751	-422.51508	-422.514136	-422.554507	30.521
+C	 0.2728378707	 0.084842963	-0.4969199698	-0.401393
+C	 0.8635301532	 0.0096139917	 0.9032537071	 0.114046
+O	 2.1961086763	-0.5514203153	 0.8666732537	-0.297299
+C	 2.9714704278	 0.4531847391	 1.4868191638	 0.134294
+C	 2.52200885	 1.8645931608	 1.0067931735	-0.111873
+C	 2.8799179514	 2.4165654393	 2.3925780084	 0.11304
+O	 2.2039659776	 3.6036600483	 2.7365449762	-0.437627
+C	 2.2113195485	 1.0562874969	 2.7042407062	-0.149229
+C	 1.152114845	 1.3455731981	 1.5823362127	-0.056328
+H	 0.2494394452	-0.9087255103	-0.9535516855	 0.125559
+H	-0.7521814176	 0.4690267616	-0.4607760481	 0.112703
+H	 0.8677829872	 0.7419470512	-1.1381502615	 0.11959
+H	 0.2350448619	-0.6310254824	 1.5383697217	 0.074387
+H	 4.0196656202	 0.1608106595	 1.5365775305	 0.083039
+H	 2.7025762017	 2.3271745845	 0.0366078535	 0.075833
+H	 3.9526313024	 2.4885157256	 2.621036899	 0.062859
+H	 2.3563271946	 3.7747786329	 3.6710119161	 0.283946
+H	 2.0337554345	 0.5855633062	 3.6726209273	 0.068189
+H	 0.3389774893	 2.0431566692	 1.7653358151	 0.086264
+19
+0 2856	4.2925709	1.1831916	1.101201	1.2286	74.43	-0.25561	0.07151	0.32712	1128.9563	0.15843	-422.529613	-422.521944	-422.521	-422.561402	30.729
+O	-6.0938642179	-0.269916245	 2.1381424558	-0.451627
+C	-4.7491786	-0.6454800481	 2.0247259302	 0.181181
+C	-3.6352521226	 0.4083195013	 1.7960535417	-0.132806
+C	-4.0399371686	 0.5020022807	 0.2838935036	-0.028712
+C	-2.7865536919	 0.7233202223	-0.5599652925	-0.288948
+C	-1.7895218789	-0.2006803566	 0.198998119	 0.1315
+O	-0.6423181891	 0.4515755694	 0.7190577687	-0.440864
+C	-2.7212412142	-0.756098454	 1.2752817315	-0.039174
+C	-4.1288329588	-1.0215957236	 0.6542196325	-0.12337
+H	-6.3066783189	 0.3533810856	 1.4362660344	 0.282782
+H	-4.5702993035	-1.3550545292	 2.836727754	 0.084137
+H	-3.3480214744	 1.2332749404	 2.4532096368	 0.065902
+H	-4.9420491573	 1.0469468521	-0.0042588114	 0.051828
+H	-2.9296007944	 0.4304728774	-1.6049178152	 0.102367
+H	-2.435530358	 1.7604984825	-0.55111919	 0.099408
+H	-1.3905756597	-0.9921204836	-0.4423085346	 0.08798
+H	-0.9409948347	 1.1049401848	 1.3612905461	 0.276404
+H	-2.3052500289	-1.4687641963	 1.9894349346	 0.070515
+H	-4.4023533481	-1.8424611002	-0.0119442251	 0.071495
+19
+0 2857	2.427366	1.9267589	1.315794	2.344	73.08	-0.23582	0.06737	0.30319	1004.2857	0.15821	-422.529528	-422.521945	-422.521001	-422.56137	30.381
+C	 1.141432907	-0.5805417423	-1.0734239464	-0.418039
+C	 1.0665201168	 0.1992267474	 0.240195298	-0.00611
+C	 1.7752470594	-0.5028140386	 1.3949513459	-0.086041
+C	 1.8492673344	 0.236014879	 2.7157686566	 0.085485
+O	 1.5517330999	 1.6277639177	 2.5417737772	-0.326836
+C	 2.5598521146	 1.6717546377	 1.4685321929	 0.045727
+C	 3.0353007288	 0.2479222706	 1.8025977951	-0.168776
+C	 1.7704365078	 1.5994432439	 0.1612520376	 0.144706
+O	 0.8861510199	 2.687914348	 0.0106888939	-0.445644
+H	 0.6066467729	-1.5338986216	-1.0069144319	 0.111911
+H	 0.6964461797	-0.0016905516	-1.8894319227	 0.125048
+H	 2.1810802579	-0.7990127358	-1.3433654728	 0.113284
+H	 0.0132755912	 0.3771449346	 0.4857396186	 0.077542
+H	 1.7827151871	-1.586719026	 1.4509004464	 0.086781
+H	 1.6742505799	-0.1997793392	 3.6922281144	 0.106128
+H	 3.228675036	 2.52499443	 1.5859762033	 0.086268
+H	 4.0410779806	-0.1342006393	 1.9000861837	 0.099607
+H	 2.4504329489	 1.6337265232	-0.6986660732	 0.082505
+H	 0.3992760872	 2.7418007622	 0.8442126233	 0.286453
+19
+0 2858	2.3557847	1.9523978	1.5082459	2.4643	72.48	-0.23594	0.07206	0.308	959.1883	0.158291	-422.531768	-422.524258	-422.523314	-422.563324	30.329
+C	 1.0138519416	-0.3382552997	-0.9508765276	-0.417464
+C	 0.7899400568	 0.2039460433	 0.4624320416	-0.017556
+C	 1.6695129994	-0.5007803977	 1.4894755312	 0.079673
+O	 1.4590666361	 0.154473681	 2.7968570648	-0.327495
+C	 2.6771627096	 0.8847087112	 2.5964974699	 0.078347
+C	 3.0741295225	 0.1338139564	 1.3703827877	-0.151041
+C	 2.6388073087	 1.5853668429	 1.254320111	-0.112251
+C	 1.2391078837	 1.6941562287	 0.6322542849	 0.121693
+O	 0.344868527	 2.459220312	 1.4202531069	-0.448694
+H	 0.7514673368	-1.3993470402	-1.0195629871	 0.115514
+H	 0.4010831056	 0.2064727575	-1.6756309626	 0.12467
+H	 2.0614955349	-0.2322865604	-1.2548650453	 0.121454
+H	-0.267948174	 0.1251780996	 0.7330896999	 0.084702
+H	 1.5748393051	-1.5846506546	 1.5745820353	 0.082748
+H	 3.2199428768	 1.2183920603	 3.4723751015	 0.108392
+H	 4.0051454583	-0.3096135774	 1.0482766696	 0.100519
+H	 3.3829464053	 2.3534148137	 1.0780671055	 0.092655
+H	 1.2797546315	 2.1997399157	-0.3371506302	 0.07876
+H	 0.278720114	 1.9912985677	 2.2627732428	 0.285374
+19
+0 2859	2.2939937	1.9182952	1.4637387	1.1325	73.04	-0.24626	0.07579	0.32205	967.8632	0.158578	-422.543062	-422.535316	-422.534372	-422.574865	30.99
+O	-0.7653467052	-0.3053752722	 3.2476509189	-0.445905
+C	-0.8763342515	 0.6349388324	 2.1868880006	 0.082629
+C	-2.2050549481	 1.3759691307	 2.1471257208	-0.078312
+C	-3.4767548068	 0.5659140378	 1.8869915886	-0.091059
+C	-3.1625925561	-0.7571923986	 1.1807255472	-0.259536
+C	-2.1994297412	 0.0254209464	 0.2337874461	-0.051878
+C	-2.805223332	 1.355532636	 0.7749241465	-0.069652
+C	-0.7694537565	-0.0051118934	 0.7631467644	 0.112383
+O	 0.0107326013	 0.7933570451	-0.1143466217	-0.445748
+H	-1.658296582	-0.5320105028	 3.5241019628	 0.287178
+H	-0.0441125373	 1.3395880559	 2.3097426378	 0.070791
+H	-2.3405829865	 2.2562816339	 2.7655780683	 0.08825
+H	-4.3876292946	 0.7975588789	 2.426915592	 0.085962
+H	-2.7356013529	-1.581935693	 1.7633699205	 0.090334
+H	-4.0351059812	-1.1275231079	 0.6370935722	 0.106307
+H	-2.2745545461	-0.190209519	-0.8308223036	 0.077402
+H	-3.1416618738	 2.2190113043	 0.2184391763	 0.089861
+H	-0.3703331275	-1.0262218934	 0.8445754898	 0.06924
+H	 0.9059865279	 0.835533749	 0.2374807026	 0.281752
+19
+0 2860	3.0628286	1.5484188	1.2871539	2.1391	74.16	-0.24102	0.07381	0.31483	1027.5963	0.157431	-422.508343	-422.500498	-422.499554	-422.540043	31.439
+C	-2.0473815343	-1.0899634516	 1.9814423017	-0.483719
+C	-2.1209010915	-0.1448087249	 0.8107369571	 0.333042
+C	-0.9019364164	 0.5334666721	 0.2474256009	 0.013028
+O	 0.3075363801	 0.1125297008	 0.8136721563	-0.433962
+C	-1.6473486509	-0.4788258064	-0.6057804286	-0.151994
+C	-2.9139098769	-0.0586795659	-1.3729614933	 0.057847
+C	-3.3009431127	 1.3289961399	-0.8150760407	-0.247312
+C	-3.5080277889	 0.4223434991	 0.4178714944	 0.000531
+O	-3.979731571	-0.6143068644	-0.5168884054	-0.29816
+H	-2.2245169339	-0.5645824417	 2.9275736506	 0.112964
+H	-2.8046713367	-1.874208989	 1.8806660674	 0.127073
+H	-1.0629954862	-1.5573591545	 2.0404158457	 0.13531
+H	-0.915715626	 1.591246804	-0.0069309157	 0.084405
+H	 0.9794557654	 0.1355632098	 0.1243564506	 0.288546
+H	-1.1629950836	-1.4225755061	-0.8289011224	 0.095122
+H	-3.006388548	-0.3332468922	-2.4232871152	 0.079052
+H	-2.5915562957	 2.157287614	-0.8044115076	 0.097644
+H	-4.2622381584	 1.6473898477	-1.2166670392	 0.113654
+H	-4.2123392242	 0.6446375994	 1.2197912936	 0.07693
+19
+0 2861	3.1284127	1.5412003	1.2950699	1.1953	74.12	-0.23753	0.08079	0.31832	1034.1663	0.157565	-422.509982	-422.502212	-422.501268	-422.541637	31.306
+C	 0.0051238007	 0.154084729	 0.0067711096	-0.420259
+C	 1.5174092674	 0.0635211069	-0.0098977846	-0.08467
+C	 2.1468381795	-1.0440848143	-0.8525794912	-0.149651
+C	 3.6647737929	-1.1063098567	-1.0907964778	 0.057229
+C	 4.2895478572	-0.0838817635	-0.1174921157	-0.245554
+C	 3.7054774602	-1.1265986185	 0.8582796985	-0.021997
+O	 4.0751002383	-2.1599458846	-0.1303046897	-0.314464
+C	 2.1729365277	-1.0990676651	 0.6715562599	 0.435886
+O	 1.4128780524	-1.964732058	 1.4460151818	-0.470205
+H	-0.3412180695	 0.6724640904	 0.9066300747	 0.123539
+H	-0.3574134593	 0.7091766009	-0.8645201564	 0.115333
+H	-0.4515073668	-0.8379857962	 0.0036995175	 0.129481
+H	 2.0076964705	 1.0311676911	 0.0286042295	 0.084023
+H	 1.4930406339	-1.6914632466	-1.4256216475	 0.09302
+H	 4.0316980227	-1.276416129	-2.1024025389	 0.080559
+H	 5.3773361536	-0.1441130298	-0.1357586859	 0.114693
+H	 3.9575672015	 0.954363415	-0.1019316864	 0.10256
+H	 4.08815458	-1.3117736623	 1.8618160269	 0.081969
+H	 1.727417107	-2.8579853988	 1.2604484159	 0.288505
+19
+0 2862	3.1650681	1.543976	1.3102633	2.2465	74.34	-0.21297	0.06548	0.27845	1014.6545	0.158128	-422.517748	-422.510193	-422.509249	-422.549037	31.273
+O	 0.3627676284	 0.3094035129	 0.235840618	-0.447982
+C	-0.9698729867	-0.0006790748	 0.5682116641	-0.043513
+C	-2.029643264	 0.8669293046	-0.107353008	-0.178493
+C	-3.5240103764	 0.6752757194	 0.2153655747	-0.046265
+C	-3.995090606	-0.0768356938	-1.0802723322	-0.213355
+C	-3.0753709479	-1.2042740171	-0.48914569	-0.089121
+C	-3.5904211212	-0.7228240718	 0.8946161181	-0.238739
+C	-1.7038172573	-0.5318909898	-0.6324281152	 0.469647
+O	-1.0078169905	-0.823106127	-1.7944142885	-0.487881
+H	 0.568106586	 1.186620401	 0.5748951873	 0.293856
+H	-1.0847418808	-0.3913769485	 1.5770197812	 0.089582
+H	-1.6951272811	 1.7596079514	-0.6259045765	 0.084973
+H	-4.0666233224	 1.5300756875	 0.6210578086	 0.060122
+H	-5.0571047475	-0.3370275054	-1.0661495126	 0.089932
+H	-3.7103137874	 0.3456579972	-2.046805463	 0.103672
+H	-3.1386548086	-2.2444144372	-0.8069651807	 0.069646
+H	-4.6231468938	-1.0353371945	 1.0620766995	 0.098765
+H	-3.0075747242	-0.9217488879	 1.7949519653	 0.095413
+H	-0.1070611985	-0.5023191163	-1.64926906	 0.289739
+19
+0 2863	2.1373533	1.7178554	1.6113426	2.0366	74.96	-0.24181	0.06171	0.30352	995.0879	0.156506	-422.520964	-422.512568	-422.511624	-422.553233	33.067
+C	-2.7674500803	 2.0749110688	 1.7854460022	-0.5266
+C	-2.3503890749	 1.328600937	 0.5611092777	 0.230619
+C	-2.922553645	 1.2406091527	-0.8273084183	-0.12057
+C	-3.0005303319	-0.2906126053	-0.8001392709	-0.29083
+C	-1.9057542792	-0.2052717735	 0.2742301071	 0.347014
+O	-1.7166104641	-1.2173955252	 1.1841695367	-0.477712
+C	-0.6630192923	 0.3618143135	-0.460882568	 0.074308
+O	 0.4486355257	 0.4412867586	 0.4238697932	-0.458299
+C	-1.450896939	 1.6496635687	-0.6222950518	-0.168104
+H	-3.6537114065	 1.6212629467	 2.2434200857	 0.131128
+H	-1.9781626444	 2.0874633815	 2.5467745498	 0.112707
+H	-3.0124952387	 3.1160790696	 1.5472070999	 0.123826
+H	-3.6155906732	 1.9296147906	-1.2928888307	 0.089029
+H	-3.9532535329	-0.628911469	-0.3834939733	 0.107701
+H	-2.768516692	-0.8600872734	-1.7080005405	 0.090797
+H	-0.7950725447	-1.1388884829	 1.474030901	 0.283786
+H	-0.3082072354	-0.1794088285	-1.345051899	 0.079205
+H	 0.2901051586	 1.1835390539	 1.0191081557	 0.285355
+H	-1.0835207699	 2.6145930862	-0.9513191167	 0.086641
+19
+0 2864	2.4695123	1.6750718	1.4053236	2.4052	74.52	-0.23247	0.08148	0.31395	1026.4216	0.15566	-422.513151	-422.504568	-422.503624	-422.545714	33.115
+C	-3.8970996671	-0.3294431321	 2.0501284965	-0.52777
+C	-2.604822369	 0.27591995	 1.6089613932	 0.241314
+C	-2.129129561	 1.6558848699	 1.3199903184	 0.035651
+O	-0.9531525117	 1.5863313646	 2.1378623448	-0.345747
+C	-1.1008514067	 0.1243147032	 2.0732299867	 0.300962
+C	-0.5160635281	-0.6013133014	 3.2424865976	-0.516518
+C	-0.7115815745	-0.1461513731	 0.5890195635	 0.161046
+O	 0.5254069803	 0.3399190642	 0.1579297138	-0.453388
+C	-2.0053592918	 0.5862769176	 0.2294417031	-0.243891
+H	-4.0843083341	-0.1460823993	 3.1140031305	 0.128844
+H	-4.7333721171	 0.0980040652	 1.4868660248	 0.128533
+H	-3.912021478	-1.4129959948	 1.887684348	 0.125653
+H	-2.6415996861	 2.6032265812	 1.2155835499	 0.108397
+H	-0.6990327908	-1.6767979802	 3.1555783562	 0.125031
+H	 0.5669720242	-0.44151072	 3.272929249	 0.140797
+H	-0.9447711227	-0.2458194644	 4.1837033013	 0.130467
+H	-0.7665824082	-1.209704008	 0.3422804332	 0.088267
+H	 0.6029853928	 1.2162249855	 0.5607112659	 0.283211
+H	-2.5125978806	 0.651500402	-0.7249890363	 0.089141
+19
+0 2865	2.0792982	1.7222485	1.6010444	2.4367	74.78	-0.23703	0.06246	0.29949	999.3528	0.156007	-422.511513	-422.502952	-422.502008	-422.543907	33.589
+C	-0.5577955802	-0.9867232416	 3.1890594887	-0.503543
+C	-1.2244940292	 0.1411510909	 2.452709699	 0.20253
+C	-2.093707374	 1.2145756573	 3.1661652456	-0.277577
+C	-2.8257284571	 1.3880911056	 1.836338881	-0.15749
+C	-1.7562332659	 1.2526205693	 0.7169371348	-0.158996
+C	-0.4219820903	 0.9794040283	 1.4008958432	 0.124223
+O	 0.4779211423	 0.2247990306	 0.6183813345	-0.44584
+C	-2.3863098144	 0.0377703515	 1.3378274509	 0.299585
+O	-3.026845235	-1.007344644	 0.72236314	-0.453994
+H	 0.1163099789	-0.6007524528	 3.9631886008	 0.121098
+H	-1.288449101	-1.6381675025	 3.6812985981	 0.10721
+H	 0.0418874717	-1.5953658243	 2.5053241449	 0.125124
+H	-2.7415809671	 0.7817122685	 3.9350023235	 0.091964
+H	-1.5599769828	 2.0760482249	 3.5847624364	 0.09159
+H	-3.7505303834	 1.9122136722	 1.6296078977	 0.089789
+H	-1.9324937164	 1.6699827334	-0.2667373211	 0.092294
+H	 0.1566406624	 1.8234845658	 1.7924251924	 0.075603
+H	-0.0395366859	-0.417721998	 0.117534993	 0.284843
+H	-3.6947204727	-1.3582997251	 1.3226198965	 0.291588
+19
+0 2866	2.0943374	1.7341738	1.5835364	0.3397	74.68	-0.22308	0.06378	0.28686	1002.0894	0.15605	-422.513692	-422.505193	-422.504249	-422.545957	33.566
+C	 0.8448749683	-2.9387263028	 0.0275192406	-0.439115
+C	 0.897417463	-1.4182190586	 0.1204339516	-0.037371
+C	 1.7981677002	-0.7662300247	-0.9325770582	-0.110409
+C	 2.3628119695	 0.547733139	-0.3148293662	-0.168552
+C	 1.7979902029	 0.642090743	 1.1032444061	-0.272707
+C	 1.9343596096	-0.892417543	 1.1617225823	 0.314498
+O	 2.0932463881	-1.4676139458	 2.4087259998	-0.480051
+C	 3.0061340066	-0.7901912097	-0.0533468138	 0.285884
+O	 4.2465520112	-1.3229190148	-0.2929385639	-0.456127
+H	 0.3830304066	-3.3740800064	 0.9219448391	 0.111728
+H	 0.2529553966	-3.2642360362	-0.83382058	 0.120424
+H	 1.850003492	-3.3624677677	-0.0866964614	 0.12546
+H	-0.1135319917	-1.0048336856	 0.2322393534	 0.061087
+H	 1.7664566506	-0.8961785861	-2.0068437542	 0.088169
+H	 2.7060350195	 1.3477078809	-0.9575391371	 0.088827
+H	 2.4982962342	 1.1309051525	 1.786284226	 0.098812
+H	 0.7914387947	 1.0505112122	 1.2457555116	 0.091521
+H	 2.1351172691	-2.4243679444	 2.3004713421	 0.286248
+H	 4.8926519788	-0.8412559217	 0.2364385122	 0.291675
+19
+0 2867	2.052872	1.7709332	1.5803585	0.9151	74.54	-0.22325	0.06563	0.28888	1008.5534	0.155	-422.499462	-422.490779	-422.489835	-422.532063	33.611
+C	 1.2087350543	 1.1540695655	-0.0822209418	-0.414758
+C	 0.9684296086	-0.3400903886	 0.0946670473	-0.021552
+C	 1.6543264064	-1.2087258321	-0.9609323626	-0.158349
+C	 1.9711958382	-2.5396604159	-0.2162049846	-0.026208
+O	 1.4506621928	-2.4240978115	 1.10234727	-0.323303
+C	 1.9240399416	-1.0416257164	 1.1129361711	 0.331631
+C	 2.2404316364	-0.5162741928	 2.4772942927	-0.513085
+C	 2.8992886475	-1.3779836803	-0.1227444909	 0.266826
+O	 4.2064726338	-1.1224467355	-0.4372948556	-0.450619
+H	 0.8695297821	 1.7171223486	 0.7941551142	 0.113049
+H	 2.2721495606	 1.3684888347	-0.2365980489	 0.12611
+H	 0.6648223181	 1.5375080727	-0.9516849025	 0.116969
+H	-0.0896934553	-0.5527529099	 0.2878937902	 0.070175
+H	 1.5765055999	-1.166035107	-2.0403128383	 0.091015
+H	 2.0235840299	-3.5104324444	-0.690895372	 0.109588
+H	 2.9996012717	-1.1335118155	 2.9668435339	 0.124348
+H	 2.610590836	 0.511333084	 2.4214401693	 0.130296
+H	 1.341283267	-0.5250434624	 3.1036771403	 0.134067
+H	 4.7675445304	-1.7089652531	 0.0838834284	 0.293801
+19
+0 2868	2.4516597	2.0781915	1.5768648	1.6566	72.58	-0.23476	0.08253	0.31729	923.5857	0.158612	-422.572885	-422.565481	-422.564537	-422.604072	30.464
+C	-0.5896901256	-1.8505163704	 1.4897606633	-0.487262
+C	 0.516491929	-2.0418358567	 0.4874344113	 0.317309
+C	 0.3613447476	-3.0839238211	-0.6406499039	-0.263158
+C	 1.7762381452	-2.9416055131	-1.1882544455	-0.116734
+C	 2.5983649311	-2.546946308	 0.0125530554	 0.074928
+O	 1.7428751954	-2.460798171	 1.1414641627	-0.305615
+C	 2.1910805568	-1.483848982	-0.9808575789	-0.15858
+C	 1.0241573456	-0.7869500191	-0.2884066661	 0.142761
+O	 1.4006582409	 0.2755048015	 0.556608799	-0.451309
+H	-0.3547777099	-1.0200940457	 2.1606805135	 0.131424
+H	-1.5279819262	-1.6189960617	 0.9769623517	 0.120283
+H	-0.7338221714	-2.7562098481	 2.0853476812	 0.126075
+H	 0.152239317	-4.0848382268	-0.2512239634	 0.105322
+H	-0.4188610975	-2.8042928577	-1.3546070339	 0.10301
+H	 2.1705738023	-3.5489138743	-1.9917922278	 0.092009
+H	 3.6069202763	-2.8684222961	 0.2290190402	 0.104442
+H	 2.8891387072	-0.9627048555	-1.6213975308	 0.093563
+H	 0.2717008093	-0.3940020648	-0.9771751101	 0.086265
+H	 1.9801115668	-0.1123638794	 1.2253829919	 0.285267
+19
+0 2869	2.3894881	2.1603453	1.5876964	1.5073	72.38	-0.23504	0.08329	0.31833	928.649	0.157464	-422.564027	-422.556395	-422.555451	-422.595571	30.595
+C	-0.3106393635	-0.6163358201	-0.0527165397	-0.415042
+C	 1.0643829672	-1.2743550058	-0.1030468247	-0.014256
+C	 1.9747966212	-0.9684062597	 1.0804400004	-0.182871
+C	 2.7282724248	 0.2886201573	 0.6522966461	 0.036805
+O	 2.2942005422	 0.6404251209	-0.6454983022	-0.279281
+C	 2.0499064413	-0.6767809457	-1.1532960417	 0.438966
+C	 1.7243096065	-0.6741198813	-2.6175710761	-0.496088
+O	 3.2649751674	-1.3805108282	-0.8709268674	-0.280859
+C	 3.3791461999	-1.0623520239	 0.5015534908	 0.025321
+H	-0.8881086648	-0.9855367925	 0.8006850094	 0.113922
+H	-0.2161804376	 0.4685588296	 0.0425672084	 0.132744
+H	-0.8881063825	-0.8331322982	-0.9576862833	 0.113598
+H	 0.9822890953	-2.3529847613	-0.2704313742	 0.082308
+H	 1.7323308135	-1.198997249	 2.1085722217	 0.09328
+H	 3.0459979012	 1.109465832	 1.2777996085	 0.11027
+H	 1.5833579239	-1.6986530943	-2.9697923712	 0.132986
+H	 0.8087046115	-0.1074447918	-2.8002419339	 0.135173
+H	 2.5419056254	-0.2158204852	-3.1780186199	 0.142259
+H	 4.2692579072	-1.4262679529	 0.9929193191	 0.110764
+19
+0 2870	2.4243691	2.0059434	1.5524316	2.1122	72.45	-0.24614	0.06441	0.31055	926.7569	0.159392	-422.581236	-422.573909	-422.572964	-422.612268	30.642
+O	 0.4503424806	 0.3244019094	 0.0408423202	-0.463503
+C	-0.7907388205	 0.5244782711	 0.7021281088	 0.10481
+C	-2.0502260813	 0.1864566838	-0.0716735033	-0.122298
+C	-3.1409431126	 1.0756739606	 0.5062082328	-0.063298
+C	-2.5032777804	 1.9257283436	 1.6048360948	-0.256878
+C	-1.1086106149	 2.0250901562	 0.9600969834	 0.366844
+O	-0.1467545586	 2.724745648	 1.6891417351	-0.508928
+C	-1.4504413465	 2.5333963312	-0.4683903199	-0.289467
+C	-2.4734404243	 1.456361276	-0.802604588	-0.069967
+H	 0.3195265904	 0.4987143032	-0.8970160346	 0.286735
+H	-0.7065130788	-0.0169079404	 1.6502475011	 0.086597
+H	-2.2563260477	-0.8040978731	-0.4563301363	 0.087618
+H	-4.1709389895	 0.7469025764	 0.545849772	 0.087442
+H	-2.9801484648	 2.9027928334	 1.7298371547	 0.102302
+H	-2.4684241911	 1.4257700173	 2.5777854089	 0.102049
+H	 0.7103698534	 2.4228487192	 1.3613338663	 0.281277
+H	-1.8706239818	 3.5432796094	-0.4451382154	 0.10393
+H	-0.5777135837	 2.5419771509	-1.1310354544	 0.079318
+H	-3.0059340879	 1.4146787436	-1.7438379661	 0.085416
+19
+0 2871	3.2724806	1.5396243	1.4288968	1.821	72.58	-0.23489	0.08887	0.32376	989.2646	0.159072	-422.56636	-422.558993	-422.558049	-422.597686	29.936
+C	 1.2383501594	-0.573090293	-1.0479789575	-0.412698
+C	 1.0807592423	 0.1803723473	 0.2706216636	 0.013236
+C	 1.8758639073	-0.4107889725	 1.4376012538	-0.117008
+C	 3.2051003763	 0.3010545627	 1.3894055793	 0.075635
+O	 3.185271586	 1.2303469679	 0.3119162132	-0.276727
+C	 1.779469582	 1.5578444591	 0.3261959253	-0.012747
+C	 1.5820310556	 1.9987567576	 1.7982990998	 0.169098
+O	 2.2665408151	 3.1813770767	 2.1372206714	-0.453953
+C	 2.1774258638	 0.7301145892	 2.4095291124	-0.169942
+H	 0.8716521083	-1.600925352	-0.95726328	 0.112
+H	 0.6727052759	-0.087917078	-1.8504535551	 0.112224
+H	 2.2895933034	-0.6106170607	-1.3459113168	 0.133644
+H	 0.0200178621	 0.2917789667	 0.522528133	 0.077726
+H	 1.7777619771	-1.4409684508	 1.7544413577	 0.090206
+H	 4.1723538993	-0.1326741492	 1.5966203841	 0.106028
+H	 1.5630397085	 2.290395655	-0.4485789016	 0.082802
+H	 0.5299306121	 2.1553490143	 2.049107984	 0.089536
+H	 3.1581483877	 3.084410251	 1.7785125906	 0.285744
+H	 2.3015308679	 0.5961266386	 3.4751310729	 0.095197
+19
+0 2872	3.1586999	1.5136044	1.408987	0.5287	72.82	-0.25055	0.07409	0.32464	985.7956	0.159574	-422.5779	-422.570465	-422.569521	-422.609203	30.396
+O	-2.5252414954	 1.40144819	 3.7115352661	-0.45298
+C	-2.3627824082	 1.0751878885	 2.3451302798	 0.160814
+C	-3.5508135828	 0.3642557753	 1.7049053639	-0.121136
+C	-3.2964118566	-1.1289882711	 1.8453263115	-0.063817
+C	-1.9564857507	-1.2990583869	 2.5600079699	-0.231925
+C	-1.2986192052	-0.0102637125	 2.0224670682	-0.13967
+C	-1.508631277	-0.1676499966	 0.4925943348	 0.136128
+O	-0.8426254437	-1.2678073518	-0.1044537701	-0.445682
+C	-3.006116859	-0.4286333687	 0.5341088033	-0.06592
+H	-2.937752452	 0.6487108601	 4.1473483103	 0.28232
+H	-2.1240369337	 2.0232815679	 1.8517544716	 0.082156
+H	-4.5455865288	 0.7905972588	 1.7033916809	 0.08738
+H	-4.1089296523	-1.8371489112	 1.9367154757	 0.084567
+H	-2.035462347	-1.3132138152	 3.65243133	 0.081146
+H	-1.4216247476	-2.1943842182	 2.235494561	 0.112882
+H	-0.2847743461	 0.2098531421	 2.3565019192	 0.060159
+H	-1.2672768765	 0.7633509832	-0.0419235604	 0.062497
+H	 0.0991959148	-1.0699702735	-0.123451273	 0.280941
+H	-3.5805405823	-0.6116407403	-0.3639674327	 0.09014
+19
+0 2873	2.5658725	1.7681338	1.4665162	0.6957	73.43	-0.22506	0.06899	0.29405000000000003	980.2387	0.158557	-422.563828	-422.556246	-422.555301	-422.595315	30.575
+C	 2.37384195	-0.652921341	-4.4913375607	-0.504662
+C	 1.4082029166	-0.3388857199	-3.3834917853	 0.298666
+C	 1.1609802994	 1.0770337311	-2.8637137053	-0.272253
+C	 0.055448083	 0.6860029968	-1.8668906564	-0.005496
+O	-0.8582049355	-0.0877808802	-2.6585654512	-0.261771
+C	 0.0671466941	-1.0134098902	-3.2116814476	 0.044862
+C	 1.1530399988	-1.277241684	-2.1945972387	-0.172524
+C	 0.7558486775	-0.4132073395	-1.0128081836	 0.124769
+O	 1.8900139996	 0.0247918598	-0.2883421696	-0.436227
+H	 2.3511643817	-1.7169039926	-4.7496144927	 0.115549
+H	 2.1333598326	-0.0863666731	-5.3984024918	 0.119106
+H	 3.402517236	-0.4056944178	-4.2056176202	 0.123881
+H	 2.0314820525	 1.5088019816	-2.3657254986	 0.112418
+H	 0.7941754665	 1.7546193075	-3.6405127555	 0.096414
+H	-0.4808753878	 1.4747776346	-1.3415303696	 0.07261
+H	-0.3671097838	-1.7435332766	-3.8805162142	 0.101159
+H	 1.646709293	-2.2332542316	-2.0831957643	 0.088355
+H	 0.0302773739	-0.9183287972	-0.3602036161	 0.070891
+H	 1.5809578019	 0.5289224724	 0.4712478714	 0.284255
+19
+0 2874	2.5240586	1.8547108	1.5102434	1.8591	73.23	-0.2327	0.08829	0.32099	963.4205	0.158774	-422.571692	-422.564228	-422.563284	-422.603086	30.347
+C	 2.56737914	-0.1140307335	-4.2524906359	-0.499453
+C	 1.4551521563	-0.1924347981	-3.2572378529	 0.450253
+O	 1.1018699839	 1.0533407176	-2.6486470351	-0.312511
+C	 0.0240107467	 0.610083394	-1.8021995417	 0.000169
+C	-0.9027412185	-0.1480972744	-2.7677031914	-0.23845
+C	 0.1980130841	-1.0262869572	-3.3549677737	-0.1529
+C	 1.2123630209	-1.2810269524	-2.234657393	-0.197039
+C	 0.7131301775	-0.5260929931	-1.0038180352	 0.171492
+O	 1.7356247661	-0.0738721835	-0.1472817836	-0.453213
+H	 3.4878403493	 0.2521744811	-3.7858181017	 0.126663
+H	 2.7694649651	-1.1028441199	-4.6729431391	 0.125024
+H	 2.3096025574	 0.5624786216	-5.0737288373	 0.130364
+H	-0.3726889608	 1.4481503996	-1.2334272669	 0.08413
+H	-1.6842199858	-0.7066996663	-2.2445632869	 0.104774
+H	-1.3639001217	 0.5114792283	-3.5083072003	 0.107596
+H	 0.0337047647	-1.7290808794	-4.1612446358	 0.089695
+H	 1.8152321838	-2.1764161651	-2.1657332781	 0.091453
+H	 0.0104458628	-1.0961074065	-0.3904501186	 0.087419
+H	 2.2522375586	 0.5568759673	-0.6654539627	 0.284534
+19
+0 2875	3.2217569	1.5055348	1.4014244	0.6581	73.12	-0.21911	0.0747	0.29381	1005.8575	0.158252	-422.560484	-422.552919	-422.551975	-422.591886	30.744
+C	 2.2219370302	 1.6611513212	 0.0019426246	-0.413422
+C	 1.5743460207	 0.2916102466	 0.1869424045	 0.023823
+C	 2.2292276143	-0.5901769423	 1.2486389011	-0.156697
+C	 3.2910810323	-1.3672315464	 0.4851228792	 0.003116
+O	 3.2376741044	-0.9829487745	-0.8769155304	-0.261248
+C	 1.8246230478	-0.7095178821	-0.976417114	 0.043003
+C	 1.1795711443	-2.00813592	-0.4506338647	-0.30307
+C	 1.9838036061	-2.0376840629	 0.8480065983	 0.347562
+O	 1.8478424506	-3.0170154143	 1.8188461966	-0.474661
+H	 2.1459268674	 2.2588620391	 0.9161310645	 0.111901
+H	 3.2803849511	 1.5544033474	-0.2497925758	 0.133555
+H	 1.7338549641	 2.2215313713	-0.8029799272	 0.108794
+H	 0.4978024293	 0.3968520673	 0.3623469879	 0.074521
+H	 2.3586275409	-0.3012873702	 2.2829877797	 0.093987
+H	 4.2679070464	-1.6386225196	 0.8594330203	 0.103982
+H	 1.585727651	-0.3858168221	-1.9878726849	 0.079482
+H	 0.1019673557	-1.9159808558	-0.2916791218	 0.106262
+H	 1.3851980356	-2.8670917307	-1.097682742	 0.09476
+H	 2.2248058379	-3.8348576119	 1.4748010042	 0.28435
+19
+0 2876	3.3728291	1.5177353	1.434268	1.787	73.31	-0.23347	0.09527	0.32874000000000003	1007.8233	0.157851	-422.560323	-422.552672	-422.551728	-422.591955	30.36
+C	 0.9457200221	 1.169137692	-0.0981016354	-0.412987
+C	 0.974189985	-0.355169629	-0.0658774441	 0.005513
+C	 1.7487222484	-0.9810097204	 1.0901316863	-0.223555
+C	 3.1754848557	-1.1078737331	 0.5550290204	-0.005495
+O	 3.1911188656	-0.6159701728	-0.7730673686	-0.251677
+C	 1.8747943304	-1.0186245476	-1.1401656459	 0.129026
+O	 1.8162433932	-2.3992398848	-0.8101320793	-0.28058
+C	 2.2612111623	-2.3094852496	 0.5399351358	 0.410536
+C	 2.4190154608	-3.6070047909	 1.2610132018	-0.502739
+H	 0.3989263377	 1.5688417731	 0.7616805335	 0.115088
+H	 1.9600000499	 1.5757873189	-0.0784196797	 0.133378
+H	 0.44874249	 1.5339044398	-1.003839905	 0.113033
+H	-0.0344845797	-0.7734254455	-0.1402164626	 0.083336
+H	 1.5164627105	-0.8192156467	 2.1338415258	 0.091579
+H	 4.0976970663	-0.9906964358	 1.1050636659	 0.109925
+H	 1.6900470759	-0.8505258963	-2.1980576327	 0.095001
+H	 2.8244090565	-3.4372684964	 2.2625450518	 0.123748
+H	 1.457115422	-4.1193814738	 1.3656829947	 0.131042
+H	 3.1034721372	-4.267973941	 0.7200631072	 0.135827
+19
+0 2877	2.4962163	1.7736603	1.4595075	2.354	72.96	-0.24428	0.0754	0.31967999999999996	971.6472	0.159154	-422.574985	-422.567491	-422.566547	-422.606288	30.856
+O	-1.0228556899	 0.9093922705	 0.2023176665	-0.456457
+C	-2.2137433109	 0.1490041539	 0.1318312871	 0.176772
+C	-2.193934403	-1.1553489977	 0.9181911431	-0.160021
+C	-3.194443525	-2.0878958941	 0.2423834743	-0.140552
+C	-3.7939057966	-1.3140118234	-0.9305004862	-0.231411
+C	-2.5346197981	-0.4758507446	-1.2602372886	-0.083873
+C	-1.4423429494	-1.5622402561	-1.3803930273	-0.302014
+C	-1.7073971762	-2.2282895251	-0.0307971201	 0.40867
+O	-0.9346022553	-3.2719128313	 0.4582681638	-0.482375
+H	-0.2817881063	 0.2983155201	 0.2620712784	 0.28526
+H	-3.0142064467	 0.8250684167	 0.4510786949	 0.08069
+H	-1.9914052822	-1.2076595156	 1.9797638201	 0.094092
+H	-3.7306788351	-2.834991981	 0.8131439823	 0.086347
+H	-4.1038683016	-1.9599588395	-1.7591379758	 0.092984
+H	-4.6483557143	-0.6919507832	-0.642993477	 0.098851
+H	-2.6144819917	 0.2332877969	-2.0828089247	 0.070024
+H	-1.6111381174	-2.2372341783	-2.2274079117	 0.087777
+H	-0.431117895	-1.152128383	-1.4666404347	 0.093011
+H	-1.1450396654	-4.0644477353	-0.0478353944	 0.282224
+19
+0 2878	2.8189193	1.8016146	1.6021313	2.1775	72.82	-0.23238	0.08511	0.31749	936.4648	0.159629	-422.56098	-422.553806	-422.552862	-422.592297	28.717
+C	 0.0390300692	 0.1532456208	-0.0157530851	-0.410371
+C	 1.5565600646	-0.0402949421	 0.0155319377	-0.015292
+C	 2.0027612253	-0.9388386884	 1.1613876112	-0.119667
+C	 3.3634730674	-1.58397776	 0.9397357002	-0.132521
+C	 4.2344548256	-1.051442733	-0.1846122823	-0.088817
+O	 3.4694888508	-0.6947692708	-1.3418380129	-0.26997
+C	 2.0846657324	-0.8771406017	-1.1738586528	 0.164012
+O	 1.7939141708	-2.2263000202	-0.8319343567	-0.25464
+C	 2.1092993304	-2.3122272798	 0.5436062891	 0.097443
+H	-0.3105202046	 0.6527258311	 0.8936187426	 0.113871
+H	-0.2628528296	 0.7673502886	-0.8707026187	 0.114782
+H	-0.4724169387	-0.8109971507	-0.0916791064	 0.131584
+H	 2.0649208088	 0.9290129491	 0.0132715869	 0.084326
+H	 1.62344686	-0.779168092	 2.1637537494	 0.086323
+H	 3.9008272505	-1.9319999261	 1.8163495713	 0.092266
+H	 4.7988956965	-0.1690686031	 0.1487751095	 0.102557
+H	 4.9638004389	-1.8140596718	-0.4875827616	 0.11095
+H	 1.626116206	-0.6621337573	-2.1397819285	 0.090746
+H	 1.7814681756	-3.2373252126	 0.9992567672	 0.102418
+19
+0 2879	2.8239875	1.7614045	1.6028833	1.3322	72.94	-0.21931	0.08036	0.29967	939.4561	0.1594	-422.547564	-422.540398	-422.539454	-422.578845	28.774
+C	 0.6772416423	-0.2726272553	-1.2296260219	-0.413796
+C	 0.8610565145	 0.477985387	 0.0912627347	 0.022638
+C	 1.3055079418	-0.4392039506	 1.2257382344	-0.161196
+C	 2.8179000197	-0.267027683	 1.2769884667	 0.046992
+O	 3.2150762201	 0.6336671945	 0.2681347687	-0.261497
+C	 2.0583385145	 1.4608871172	 0.0685959769	 0.013999
+C	 1.982749531	 2.4237856177	 1.250311299	-0.065955
+O	 1.7760009831	 1.7089563626	 2.4706117638	-0.277384
+C	 1.959502704	 0.3227800331	 2.363049333	 0.074918
+H	-0.0894961983	-1.048585352	-1.1374156839	 0.113861
+H	 0.3699227192	 0.4077220586	-2.0310093574	 0.111187
+H	 1.6126370073	-0.7536771856	-1.5310814404	 0.132501
+H	-0.0555597501	 1.0211557772	 0.3483223262	 0.082513
+H	 0.8058086531	-1.3873594307	 1.3888332233	 0.085233
+H	 3.5385627224	-1.0572920954	 1.4475700316	 0.101955
+H	 2.1848937998	 1.9973489491	-0.8745090342	 0.084557
+H	 2.9224292732	 2.9890416785	 1.3109780665	 0.10469
+H	 1.1540858319	 3.1340898497	 1.1329857566	 0.099512
+H	 1.9790771805	-0.1293272527	 3.3484978365	 0.105273
+19
+0 2880	2.7803208	1.7551835	1.5750221	1.5289	73.15	-0.22335	0.07204	0.29539	932.9189	0.160168	-422.56312	-422.555989	-422.555045	-422.594357	28.917
+O	-0.7378361347	 0.9333045699	-0.2345368992	-0.448094
+C	-1.9255125992	 0.3803751646	 0.3210418619	 0.137865
+C	-2.895931135	 0.1387408826	-0.8132948957	-0.101998
+C	-3.7611577312	 1.4013113151	-0.938127459	-0.097192
+C	-3.3054727373	 2.3602380317	 0.1533349541	-0.215315
+C	-2.7117864334	 1.3858487696	 1.1943175886	-0.122419
+C	-3.850186043	 0.6334857666	 1.8896250041	-0.064884
+O	-4.7313238606	 0.0183476763	 0.9502348457	-0.277014
+C	-4.3437677362	 0.1288102696	-0.3943122925	 0.116986
+H	-0.1108146311	 1.0669746273	 0.4837911242	 0.278138
+H	-1.6939956182	-0.538480479	 0.8816453144	 0.062469
+H	-2.5645387312	-0.4310220509	-1.6734707128	 0.087801
+H	-4.0794961654	 1.7820398125	-1.9018527965	 0.081137
+H	-2.5365430997	 3.0381897476	-0.2272778984	 0.110391
+H	-4.1228218061	 2.9591375173	 0.5694530667	 0.096366
+H	-2.0799944765	 1.8716670721	 1.9441969525	 0.061136
+H	-3.4474941031	-0.1473204005	 2.5524602613	 0.091939
+H	-4.4409424529	 1.3225328218	 2.5074503467	 0.100142
+H	-5.040085655	-0.4278158442	-1.0110988461	 0.102545
+19
+0 2881	2.422393	1.9379369	1.790499	2.2487	72.63	-0.24181	0.07692	0.31873	898.9179	0.16067	-422.568447	-422.561525	-422.560581	-422.59938	28.592
+O	-0.7635714778	 0.4619229904	 0.8612209802	-0.453457
+C	-1.8017833118	-0.2451165384	 0.2207288861	 0.153825
+C	-2.6294067199	 0.5478295243	-0.7860107884	-0.098343
+C	-4.0372809388	-0.0234501426	-0.7619194633	-0.069484
+C	-4.0735534365	-1.1144387918	 0.3049720046	-0.245935
+C	-2.8993716931	-0.7073656045	 1.2060042799	 0.040316
+O	-3.2234374004	 0.4217661204	 2.0307107072	-0.296491
+C	-3.8560338668	 1.497192093	 1.3238198639	-0.106971
+C	-3.7651718779	 1.3423611114	-0.1828819482	-0.056135
+H	-1.1775954654	 0.9017185185	 1.6163050553	 0.284794
+H	-1.3387086503	-1.1057844055	-0.2768912799	 0.080914
+H	-2.1675117447	 0.8918409844	-1.703625912	 0.085716
+H	-4.6297591241	-0.1222155777	-1.6640444983	 0.083185
+H	-5.0151320623	-1.1607012229	 0.8622183387	 0.107237
+H	-3.8922313582	-2.1033701248	-0.1311256156	 0.105371
+H	-2.5667019563	-1.4831850347	 1.8972812696	 0.084925
+H	-4.9107171542	 1.5519477463	 1.6326810282	 0.103194
+H	-3.3737897005	 2.4275921597	 1.6491428765	 0.107631
+H	-4.116878201	 2.2023577544	-0.7442216746	 0.089706
+19
+0 2882	2.7632711	1.761668	1.5690097	1.5841	72.42	-0.22788	0.0808	0.30868	939.6837	0.160401	-422.567719	-422.560595	-422.55965	-422.599009	28.925
+O	 0.3646799362	 0.6317682571	 0.9630219953	-0.4465
+C	-0.7471420603	 1.0543829916	 0.1920858255	 0.148734
+C	-1.1939163132	 2.4551813956	 0.5791128797	-0.154484
+C	-2.6389412623	 2.7965035223	 0.2296407425	-0.081494
+C	-3.3895450113	 1.9467136928	-0.7853097871	-0.230946
+C	-3.088573198	 0.4349342083	-0.5875684704	-0.220428
+C	-2.027550041	 0.2472573145	 0.4989092615	 0.019828
+O	-2.508505916	 0.8276341542	 1.7275088475	-0.278131
+C	-2.304905591	 2.2176703105	 1.5766722394	 0.083883
+H	 0.0873867795	 0.6620999005	 1.8865175758	 0.284975
+H	-0.444236829	 0.9501126519	-0.8535768332	 0.088028
+H	-0.4450161318	 3.2296102057	 0.6902841428	 0.092373
+H	-2.8698355928	 3.8578382238	 0.2153968395	 0.085791
+H	-4.4641315804	 2.1324201971	-0.6872394685	 0.108229
+H	-3.1152252954	 2.2673344351	-1.7964025522	 0.105044
+H	-3.989741775	-0.101177187	-0.2773797083	 0.110673
+H	-2.7458448476	-0.0258450111	-1.5202503483	 0.100864
+H	-1.8110879044	-0.8052054399	 0.6925174493	 0.084205
+H	-2.4419995761	 2.7616315569	 2.5028023093	 0.099357
+19
+0 2883	2.193203	1.7554092	1.594451	2.4127	75.3	-0.24423	0.06502	0.30925	985.9024	0.156173	-422.502313	-422.493941	-422.492997	-422.534491	33.072
+C	-0.5164427432	 3.3885703282	 0.7679530367	-0.52842
+C	-1.3050396901	 2.1141323971	 0.657287045	 0.268363
+C	-0.8344668928	 0.7147532425	 0.1921929558	 0.101761
+O	 0.1584646199	 0.0564615191	 0.9355527225	-0.458281
+C	-2.3193330937	 0.4860901236	 0.542135302	-0.165743
+C	-2.7270602543	 1.9017496712	 0.0161194064	-0.098477
+C	-3.4648924544	 2.2769214781	 1.3244687604	-0.335919
+C	-2.2238304817	 1.4790251326	 1.7594277754	 0.341176
+O	-1.7393228503	 1.194446341	 3.0329119857	-0.483418
+H	 0.351780651	 3.2451889697	 1.4198047178	 0.132482
+H	-0.1479602091	 3.7092225632	-0.2124794833	 0.121129
+H	-1.1190020711	 4.2029083406	 1.1850174307	 0.119941
+H	-0.5573837196	 0.6168727279	-0.86258857	 0.073704
+H	-0.0675310783	 0.1602302733	 1.8690403271	 0.285747
+H	-2.9275074983	-0.4184831197	 0.4873507393	 0.067027
+H	-3.0042348211	 2.138097463	-1.0084392989	 0.08269
+H	-3.4954770955	 3.3376984979	 1.5917215236	 0.099357
+H	-4.4412198319	 1.8073956102	 1.4852804984	 0.089489
+H	-2.3914488158	 0.6605008808	 3.5008369153	 0.287394
+19
+0 2884	2.1761832	1.749173	1.5607961	1.3543	75.52	-0.2451	0.06108	0.30618	995.7604	0.155377	-422.498778	-422.490078	-422.489134	-422.531278	33.708
+C	-1.388435951	-1.5905359687	 2.5641825337	-0.522855
+C	-1.9757868502	-0.3913302316	 1.8713407396	 0.281339
+C	-3.3739494297	 0.2438829766	 2.0708808154	-0.327228
+C	-2.7307936925	 1.130042257	 0.9883739058	-0.123757
+C	-2.0132581408	-0.0935905947	 0.3239561907	-0.104015
+C	-0.658024403	 0.6262181597	 0.3285289137	 0.061738
+O	 0.4729469875	-0.215581996	 0.3483615556	-0.442169
+C	-1.3067333737	 1.0319918404	 1.6524359734	 0.331324
+O	-0.7031821013	 1.8618882897	 2.576523748	-0.477818
+H	-1.3016548352	-1.4150263969	 3.643261975	 0.107757
+H	-2.0217787278	-2.4743249562	 2.4255858182	 0.114602
+H	-0.3943541664	-1.8108683383	 2.1693648765	 0.142424
+H	-4.2321200738	-0.3625045399	 1.7624391141	 0.092884
+H	-3.5795700786	 0.7089409723	 3.0429342457	 0.075784
+H	-3.1404634408	 1.9893285742	 0.4572281328	 0.07175
+H	-2.4400608082	-0.7401865407	-0.4396908901	 0.079222
+H	-0.547590399	 1.4349881946	-0.4098305471	 0.063264
+H	 1.2218194781	 0.3067160857	 0.6540193054	 0.28876
+H	-1.2731352737	 1.9397333027	 3.3501445637	 0.286994
+19
+0 2885	2.1874441	1.7292212	1.5639745	2.2527	75.33	-0.22449	0.07268	0.29717	1001.532	0.154582	-422.485499	-422.476712	-422.475768	-422.51816	33.705
+C	-2.3702322379	-1.6695195446	 0.0713269043	-0.53077
+C	-2.2896261002	-0.3501807199	 0.7660768725	 0.438106
+O	-3.5167820623	 0.2614910309	 1.2892882627	-0.364136
+C	-2.4629090987	 1.2067667571	 1.6291526905	 0.02633
+C	-1.4059699126	 0.1200490698	 1.9725694856	-0.193883
+C	-0.3719979939	 0.768517408	 1.0295546296	 0.042495
+O	 0.5129057449	-0.0760445756	 0.3210980068	-0.439686
+C	-1.6879361597	 1.0301109698	 0.2833518798	 0.252935
+C	-1.9370804614	 1.7211870779	-1.024163381	-0.535619
+H	-2.7788697599	-2.4328557764	 0.7411368208	 0.129113
+H	-3.0186793596	-1.6019819532	-0.8081279484	 0.12975
+H	-1.3694971214	-1.9707098861	-0.2473532613	 0.144442
+H	-2.7283543542	 2.1167369646	 2.1658933503	 0.089426
+H	-1.2751014566	-0.3886731949	 2.9279932324	 0.076139
+H	 0.145811645	 1.6565356127	 1.4189497207	 0.064816
+H	 1.2450399139	-0.3048368255	 0.9020077247	 0.285447
+H	-1.393612203	 1.2277261623	-1.8364049817	 0.132541
+H	-3.0059977322	 1.702658183	-1.2608347721	 0.13319
+H	-1.6125200802	 2.7670123801	-0.9909752363	 0.119363
+19
+0 2886	2.222201	1.7216391	1.5586787	1.7359	75.44	-0.25112	0.06592	0.31704	1000.3114	0.155543	-422.499558	-422.490929	-422.489985	-422.531958	33.672
+C	 0.8256692127	 0.8912096939	-0.1186083613	-0.439843
+C	 0.8418876203	-0.6304248618	-0.0693535931	-0.063907
+C	 1.6344578063	-1.3678119914	 1.0399026294	-0.133545
+C	 1.8300651403	-2.6441095083	 0.1535538373	-0.087017
+C	 3.3528439107	-2.7061587593	 0.400121296	-0.338513
+C	 3.0203509132	-1.2036729288	 0.3067304946	 0.318591
+O	 3.8856707692	-0.1210973626	 0.3151461328	-0.477679
+C	 1.9449911749	-1.4266916216	-0.8128769583	 0.363069
+O	 2.178428085	-1.5559216777	-2.168876652	-0.480485
+H	 0.1528330091	 1.3007023859	 0.6432019816	 0.111708
+H	 1.8226112681	 1.3069428382	 0.0485916885	 0.131952
+H	 0.4647931171	 1.244748915	-1.0915746183	 0.11114
+H	-0.163733172	-1.0404186709	-0.2281668442	 0.063487
+H	 1.4712755465	-1.3700464089	 2.1164056163	 0.07138
+H	 1.1137728343	-3.4570320816	 0.0627240405	 0.083326
+H	 3.6766926864	-3.0858311099	 1.3749996807	 0.084606
+H	 3.9610894138	-3.1220178052	-0.4074950363	 0.106117
+H	 4.3793020064	-0.1279577257	 1.142534653	 0.2848
+H	 2.5774646678	-0.7370943296	-2.4838709171	 0.290812
+19
+0 2887	2.5625728	1.5118393	1.4097645	0.841	75.13	-0.22941	0.07532	0.30473	1053.6284	0.154555	-422.485823	-422.477042	-422.476098	-422.518562	33.689
+C	-0.2480115207	 0.1921291858	-0.0309253861	-0.421605
+C	 1.2720965831	 0.1229242603	-0.0205469837	-0.063488
+C	 1.978365878	-0.8492070727	 0.9627729138	-0.143207
+C	 1.7551477498	-2.0870328343	 0.0461127097	-0.012667
+O	 3.1547998035	-2.4935715808	 0.0400980031	-0.37225
+C	 3.216984737	-1.0267451868	 0.0254577322	 0.374935
+C	 4.5496804589	-0.3521031906	 0.0224174602	-0.528539
+C	 1.9761297807	-0.8829816719	-0.9417821154	 0.338663
+O	 1.9431110013	-0.8590366308	-2.3141950179	-0.47089
+H	-0.6226827864	 0.7533457451	 0.831647276	 0.115882
+H	-0.6089060578	 0.6921689563	-0.9355297687	 0.127502
+H	-0.6978008223	-0.8059529933	-0.0008580474	 0.114772
+H	 1.7119983377	 1.1269053038	-0.04378142	 0.071617
+H	 1.9908579969	-0.849021141	 2.0506251553	 0.083923
+H	 0.9908857041	-2.8617437221	 0.0817438462	 0.092821
+H	 5.1344013999	-0.6430377459	 0.9004992138	 0.135989
+H	 5.116414118	-0.6227346947	-0.8743281692	 0.13082
+H	 4.4242716909	 0.7351000081	 0.0333114593	 0.132456
+H	 2.4432796173	-1.6205782843	-2.6340971813	 0.293266
+19
+0 2888	3.3614359	1.5129214	1.296292	2.3785	73.49	-0.24111	0.06677	0.30788	1026.4666	0.158749	-422.525088	-422.517858	-422.516914	-422.556287	29.636
+C	-0.1721922621	-0.0329873549	-0.0010491255	-0.416946
+C	 1.3480595747	-0.0132744546	-0.1274129746	-0.003352
+C	 2.0877616318	-0.3516790623	 1.1853183665	-0.071023
+C	 2.0350473613	 1.1304610502	 1.620621307	 0.097559
+O	 3.3970787539	 1.1179319798	 2.0968984777	-0.314592
+C	 3.5886512394	 0.0992355536	 1.0602279687	 0.004576
+C	 3.5212746553	 1.0037954187	-0.1977782028	 0.183644
+O	 4.4432869745	 2.0577537931	-0.1561340761	-0.45826
+C	 2.0341488713	 1.3734904449	 0.040458604	-0.143022
+H	-0.5182205839	 0.508309839	 0.8859289711	 0.117603
+H	-0.6415252381	 0.4299629889	-0.8752538672	 0.120085
+H	-0.5452562005	-1.0603922806	 0.0727858594	 0.117404
+H	 1.6533988449	-0.5713073366	-1.0200526888	 0.068928
+H	 1.8465916971	-1.189627379	 1.8384652214	 0.077821
+H	 1.3209219948	 1.6167255846	 2.280785939	 0.092296
+H	 4.452647811	-0.5406309194	 1.2318124172	 0.085971
+H	 3.6704478802	 0.4711590335	-1.1402344122	 0.084659
+H	 4.4499841176	 2.347703506	 0.7678328928	 0.284219
+H	 1.6565290069	 2.2796993851	-0.4296751077	 0.072432
+19
+0 2889	3.2808969	1.5239352	1.2899088	2.2147	73.81	-0.24067	0.06899	0.30966	1026.4559	0.158104	-422.520445	-422.512936	-422.511992	-422.551909	30.25
+C	 1.386665269	 1.3005621884	-0.096917016	-0.42256
+C	 1.1552940739	-0.2005647069	 0.0353208584	 0.035489
+C	 1.7732507336	-1.0564325898	-1.1006770468	 0.042944
+O	 3.185446598	-0.701159373	-1.0107897368	-0.290297
+C	 3.1548330932	-1.4727551597	 0.1945195035	 0.115872
+C	 2.0456928646	-2.407989523	-0.3361020964	-0.079611
+C	 1.3494722019	-2.3678847289	 1.0302972583	 0.114939
+O	 1.9631605193	-3.3379772323	 1.8579313867	-0.450812
+C	 1.957638702	-0.9426075631	 1.1301586961	-0.152214
+H	 1.0452783478	 1.8264497569	 0.8008129346	 0.108715
+H	 2.4461188195	 1.5173820245	-0.2462007161	 0.138367
+H	 0.8325452041	 1.7076109833	-0.9504121102	 0.109785
+H	 0.0833779512	-0.4056056624	 0.1412054343	 0.069115
+H	 1.3702080922	-0.9975572641	-2.1114082955	 0.077692
+H	 4.1201810827	-1.7485150518	 0.609642394	 0.093764
+H	 2.2260736226	-3.3199981156	-0.9012067759	 0.084136
+H	 0.2536544042	-2.4398646932	 1.073919149	 0.061813
+H	 1.7248095369	-3.1410918326	 2.7694246824	 0.283194
+H	 2.1174812932	-0.4522241367	 2.0904002864	 0.059671
+19
+0 2890	3.1974686	1.5190538	1.2870768	1.9358	74.12	-0.24826	0.07006	0.31832	1017.6378	0.158738	-422.52751	-422.520045	-422.519101	-422.558838	30.489
+O	-3.45860667	 2.9562968939	 0.5605283182	-0.457213
+C	-2.6899413266	 1.8211415124	 0.8918684132	 0.164807
+C	-2.0288526415	 1.8838344158	 2.2813600647	-0.073509
+C	-0.8148566943	 2.6672782166	 1.664112405	-0.060775
+C	 0.1458295822	 1.8652148829	 2.5531366754	-0.232018
+C	-0.9203466944	 0.7506856911	 2.39342285	-0.111983
+C	-0.7853107653	 0.4086872852	 0.8852852678	 0.153219
+O	 0.5194108262	 0.0800656751	 0.4457198532	-0.446233
+C	-1.2157898747	 1.7977713046	 0.3890986311	-0.102562
+H	-2.9782087102	 3.7429855813	 0.8406949384	 0.280256
+H	-3.3166092955	 0.9624684777	 0.6322810601	 0.077478
+H	-2.5558350185	 2.1865253835	 3.1866990019	 0.070328
+H	-0.7649631607	 3.7506589883	 1.5562574355	 0.063491
+H	 1.1585666387	 1.6561627977	 2.2053920625	 0.107091
+H	 0.1631056591	 2.2710423378	 3.5687894981	 0.092829
+H	-1.0068143849	-0.0763737272	 3.0996924542	 0.058124
+H	-1.494780736	-0.3699741623	 0.5717001074	 0.063951
+H	 0.7724524161	-0.7532795579	 0.8569269736	 0.279768
+H	-0.9488326397	 2.0746069736	-0.6296391301	 0.072951
+19
+0 2891	2.6328159	1.8096404	1.4525377	2.3465	73.74	-0.23618	0.06254	0.29872	967.1467	0.157756	-422.524958	-422.517362	-422.516417	-422.556406	30.697
+C	 2.2184100327	-1.8715392325	-1.3117370181	-0.529597
+C	 0.7839550649	-1.4084464646	-1.3145272351	 0.260212
+C	-0.3683133245	-2.4150430126	-1.1182759653	-0.260367
+C	-1.4213216152	-1.4928999457	-1.7666982498	 0.056158
+O	-0.91010479	-1.4056293418	-3.1312906957	-0.297492
+C	 0.1125799605	-0.5951699203	-2.5401880738	 0.073188
+C	-0.8206192925	-0.0762284772	-1.4274497672	-0.081977
+C	 0.2938705633	-0.2476109392	-0.3913900866	 0.076883
+O	 1.1099588468	 0.9076979789	-0.423838487	-0.449826
+H	 2.47510716	-2.3900455416	-0.3796611429	 0.114381
+H	 2.4106535112	-2.5655541656	-2.1369563913	 0.128468
+H	 2.9046394429	-1.0246989637	-1.4266477975	 0.114173
+H	-0.2652895159	-3.3400530181	-1.6900204666	 0.106598
+H	-0.5498901676	-2.6509868683	-0.0650595806	 0.093592
+H	-2.4817678876	-1.7333969211	-1.7064363006	 0.080532
+H	 0.7216503309	-0.0153849506	-3.2293562609	 0.089645
+H	-1.4471768443	 0.8090232839	-1.5090365014	 0.083224
+H	 0.0242912552	-0.5197693608	 0.6395878694	 0.057244
+H	 1.9130003992	 0.7173757908	 0.071653341	 0.284959
+19
+0 2892	2.6234369	1.842013	1.467098	2.1302	74.26	-0.22804	0.06498	0.29302	964.2728	0.157319	-422.524402	-422.51668	-422.515736	-422.555981	31.033
+C	-0.2688141194	 2.0870126249	-1.4226707544	-0.51171
+C	-0.0324214403	 0.6495383021	-1.7731401292	 0.388483
+O	 0.1394460573	 0.4266004311	-3.1856410635	-0.302749
+C	-0.1238880464	-0.9892338379	-3.189299951	 0.080649
+C	-1.6062408206	-1.0440291927	-2.7573651693	-0.248232
+C	-1.0184971608	-0.561369743	-1.4234797272	-0.140797
+C	 0.3069067388	-1.3696645579	-1.7186863631	-0.126039
+C	 1.1520278932	-0.1923738244	-1.2078900397	 0.126543
+O	 1.3344151286	-0.1488997589	 0.1912953399	-0.45085
+H	-0.2266491296	 2.2156256574	-0.337258891	 0.125809
+H	 0.5059074144	 2.7167651485	-1.8719689738	 0.132366
+H	-1.2428398611	 2.4307820744	-1.7839718192	 0.122968
+H	 0.2739112	-1.4596874625	-4.0869429667	 0.081706
+H	-2.3049846189	-0.4107546021	-3.3097863824	 0.102683
+H	-1.9861056944	-2.0660774149	-2.6734308802	 0.100707
+H	-1.5619533004	-0.5538512531	-0.4794685687	 0.07114
+H	 0.4716530503	-2.413736919	-1.4568740536	 0.075506
+H	 2.1255234557	 0.0059216992	-1.6633342415	 0.088163
+H	 0.5665361637	-0.5468354614	 0.6151939545	 0.283655
+19
+0 2893	2.6953476	1.7791742	1.4453079	0.8149	73.52	-0.2242	0.07033	0.29453	972.1493	0.157645	-422.526064	-422.518441	-422.517497	-422.557535	30.834
+C	-0.1647119081	 0.0492644906	-0.0451235444	-0.418371
+C	 1.3584525878	 0.0671276444	 0.0379622021	-0.038449
+C	 2.0581037026	-0.8723041401	-0.9658442172	-0.073908
+C	 3.5425010783	-1.1388962876	-0.4839103295	 0.058571
+C	 3.4839884561	-0.5843059253	 0.9506910116	-0.288817
+C	 1.9744969513	-0.8847202626	 1.0960369754	 0.378735
+O	 1.3806266101	-0.9341121699	 2.3499295813	-0.492908
+C	 1.9091929479	-2.0700672338	-0.0050665243	 0.019529
+O	 3.2372827547	-2.5491737687	-0.2524135682	-0.299498
+H	-0.6012587086	 0.4989837881	 0.8512752763	 0.130786
+H	-0.5136179115	 0.6150655728	-0.9153342483	 0.112464
+H	-0.5605390431	-0.9677242814	-0.1292209484	 0.118066
+H	 1.7217534814	 1.0998946781	 0.0857180327	 0.064822
+H	 1.8373896637	-0.913459542	-2.0304986683	 0.077469
+H	 4.4227806014	-0.9740011244	-1.1037251851	 0.081718
+H	 4.1273789717	-1.1726101301	 1.6108827878	 0.097277
+H	 3.7109332925	 0.4794661248	 1.0552421549	 0.101622
+H	 1.8914559026	-1.5303713163	 2.9079737328	 0.282843
+H	 1.1256813392	-2.8245999264	 0.0243520089	 0.088049
+19
+0 2894	2.7064956	1.7882005	1.470581	2.1627	73.89	-0.25167	0.0652	0.31687	966.2204	0.158296	-422.535244	-422.527691	-422.526747	-422.566616	30.86
+O	 0.455829023	 0.8527673778	-0.0512313933	-0.459647
+C	-0.720353422	 0.8460287886	 0.7274284606	 0.110279
+C	-1.3622519281	 2.2379971429	 0.7455700598	-0.040267
+C	-2.3717299097	 2.3273169176	 1.9733054788	-0.050802
+C	-1.4845634419	 3.4634062415	 2.5526431036	-0.245867
+C	-0.3540752419	 2.7048171639	 1.8435940059	-0.099646
+C	-0.4581905685	 1.1472004867	 2.2195480667	 0.361242
+O	 0.5765029567	 0.4168643126	 2.8007578099	-0.503858
+C	-1.8837944169	 1.1110437591	 2.7974126164	-0.282418
+H	 1.1021861194	 0.3158456131	 0.4225940828	 0.290544
+H	-1.3450228345	-0.0309165195	 0.5003356723	 0.054968
+H	-1.5766959344	 2.8068165061	-0.1564203813	 0.076407
+H	-3.4449678258	 2.4501073487	 1.8314518454	 0.065213
+H	-1.6703423984	 4.4295800092	 2.0740499611	 0.099344
+H	-1.4661303239	 3.5918423285	 3.6410431723	 0.081733
+H	 0.633254299	 3.1036852982	 1.6256721292	 0.075621
+H	 0.7654615973	 0.7759438044	 3.6737963199	 0.282902
+H	-2.3963387826	 0.1702572502	 2.5772259667	 0.098535
+H	-1.9336835268	 1.2927577504	 3.876342473	 0.085715
+19
+0 2895	3.0937339	1.5413399	1.2671005	1.8702	73.85	-0.22596	0.06306	0.28902	1032.7111	0.157463	-422.505671	-422.497856	-422.496912	-422.537791	30.698
+C	 0.0786698779	-1.8673608167	 0.5789507407	-0.39015
+C	 1.5652781676	-1.7620110992	 0.9241681171	-0.03686
+C	 2.05799113	-0.3399066026	 1.1808088104	-0.031513
+C	 3.4219550867	-0.3838034395	 1.9254230793	 0.029882
+O	 3.1019170856	 0.8422740811	 2.6686763144	-0.320531
+C	 1.866324632	 0.0417105388	 2.6799186275	 0.06065
+C	 2.6690188474	-1.2593094947	 2.9695373099	-0.073303
+C	 1.9842213485	-2.4316863195	 2.2798572369	 0.082929
+O	 0.8284405942	-2.8822219458	 2.9767743999	-0.4307
+H	-0.5458215887	-1.4131870012	 1.3519842773	 0.126401
+H	-0.1237984404	-1.3594578631	-0.3696488246	 0.106251
+H	-0.2306812335	-2.911049485	 0.4800647928	 0.122657
+H	 2.1459456999	-2.2103704594	 0.1088261505	 0.074268
+H	 1.9068031463	 0.4353732338	 0.4298850625	 0.076149
+H	 4.4314184138	-0.4918455421	 1.5262579557	 0.089119
+H	 0.9989939314	 0.4510690705	 3.1964293403	 0.094853
+H	 3.115060487	-1.388592899	 3.9567887988	 0.07087
+H	 2.6740752079	-3.2716150767	 2.1122025438	 0.064978
+H	 1.1108402365	-3.21242674	 3.835289157	 0.284049
+19
+0 2896	3.1541675	1.5646663	1.3052963	1.2767	74.53	-0.25044	0.06118	0.31162	1012.2289	0.159087	-422.529863	-422.522371	-422.521427	-422.561697	29.921
+O	 0.537344759	 0.2743767019	 0.7161128444	-0.447703
+C	-0.7316984136	 0.8346694944	 0.4510193113	 0.087974
+C	-1.2988970224	 1.7095848295	 1.5649886333	-0.033108
+C	-1.9834049333	 0.8081254606	 2.6476795572	-0.060903
+C	-3.039517821	 1.9160742652	 2.8742161449	-0.238057
+C	-2.8394096271	 1.85339942	 1.3411386833	-0.076632
+C	-2.8185077898	 0.2920896231	 1.4293747068	-0.000189
+C	-1.8709605677	-0.2506967817	 0.3759140215	 0.034456
+O	-1.4022275248	-1.5343625953	 0.7809692101	-0.439047
+H	 0.3720763545	-0.4905812383	 1.2835530505	 0.27898
+H	-0.6338705738	 1.3917114777	-0.4872569711	 0.077205
+H	-0.7190673752	 2.5769724985	 1.884631152	 0.067592
+H	-1.4879445703	 0.1941936564	 3.4004675683	 0.074925
+H	-4.0137714491	 1.5970075539	 3.2563185676	 0.089833
+H	-2.6998193027	 2.8264223727	 3.3762018062	 0.090898
+H	-3.333493626	 2.4537866063	 0.5742611108	 0.067642
+H	-3.7484749291	-0.2483366894	 1.6121361087	 0.068784
+H	-2.3332249482	-0.3106501679	-0.6177746057	 0.067123
+H	-0.8732117195	-1.8927882375	 0.0599839698	 0.29023
+19
+0 2897	3.0984351	1.7644637	1.6682853	2.1051	73.01	-0.2478	0.08584	0.33364	915.3912	0.159744	-422.564114	-422.557316	-422.556372	-422.594881	28.101
+C	 4.2420111173	-1.532521266	 0.4827597924	-0.42107
+C	 3.0701873645	-0.5984050054	 0.2016719764	-0.000024
+C	 2.2376266727	-0.8984325656	-1.0394702572	-0.107017
+C	 0.9128315327	-0.07952215	-0.8388080811	 0.085572
+C	 0.0965257566	-1.357803291	-1.1337702898	-0.242709
+C	 1.3402321264	-2.1299153875	-0.6379809899	 0.091672
+O	 1.3808193897	-2.0939038912	 0.8012484348	-0.277956
+C	 1.8295791107	-0.7777896934	 1.0985045961	 0.172649
+O	 0.9066067743	 0.1697005535	 0.5809681285	-0.277225
+H	 4.7029160511	-1.3022297172	 1.4492794231	 0.116925
+H	 3.9200918221	-2.5767615441	 0.5060347728	 0.132355
+H	 5.0161544278	-1.4296185704	-0.2844084741	 0.114933
+H	 3.3867216441	 0.4489710225	 0.224575945	 0.082937
+H	 2.6958005735	-0.8999610441	-2.0253844922	 0.076863
+H	 0.7141864498	 0.8539583259	-1.3666280467	 0.077517
+H	-0.832803051	-1.497526275	-0.5788320829	 0.110757
+H	-0.0672180344	-1.497460899	-2.2070712064	 0.096896
+H	 1.5450984082	-3.1457715107	-0.9769901189	 0.078114
+H	 1.9118165539	-0.6566484511	 2.1774145502	 0.088812
+19
+0 2898	2.9650012	1.74011	1.6410078	2.4598	72.62	-0.23314	0.06733	0.30047	911.0503	0.160595	-422.569773	-422.563102	-422.562158	-422.600327	28.131
+O	 0.306864159	-0.0321099893	 0.0368604127	-0.448921
+C	-0.8112929663	 0.4704450036	 0.7439003844	 0.137488
+C	-2.099868877	 0.1153498923	 0.0130662346	-0.073275
+C	-3.2092717311	 1.0324555239	 0.6010298154	 0.095865
+C	-2.4099139525	 2.1165505342	 1.3612914615	-0.235631
+C	-1.0256070637	 2.0073502441	 0.6777995303	-0.091696
+C	-1.2098068452	 2.2150581741	-0.8454489684	-0.220071
+C	-2.2372903919	 1.1144144453	-1.1768113007	 0.110538
+O	-3.5513694035	 1.5269825549	-0.7154444265	-0.305972
+H	 1.1041116456	 0.2846080304	 0.4732154556	 0.283246
+H	-0.8138480818	 0.1077152153	 1.7831288214	 0.061696
+H	-2.3305406369	-0.931730437	-0.1662817067	 0.077191
+H	-4.0729769085	 0.6221062919	 1.128247082	 0.074038
+H	-2.883236631	 3.0958775002	 1.2545003115	 0.108409
+H	-2.3383593623	 1.8813635605	 2.4298767726	 0.093151
+H	-0.2403820044	 2.6145171408	 1.1349672341	 0.052611
+H	-1.5935720539	 3.2025159346	-1.112969846	 0.101049
+H	-0.2671869908	 2.0387930693	-1.3700624833	 0.103431
+H	-2.2519650539	 0.7690244807	-2.2115210644	 0.076852
+19
+0 2899	2.9997618	1.7666385	1.6570598	1.7135	72.76	-0.23848	0.07657	0.31505	907.4502	0.160669	-422.567489	-422.560899	-422.559954	-422.597952	28.044
+O	 0.5118649042	-0.0150637871	 0.6783539691	-0.459397
+C	-0.7904145554	 0.4937468701	 0.8425108885	 0.170449
+C	-1.3869908118	 0.32203897	 2.2411274322	-0.091271
+C	-2.6192779751	 1.301015416	 2.3505255724	-0.049804
+C	-1.9910532342	 1.8841560558	 3.6415493005	-0.23499
+C	-0.6335540121	 1.3959649684	 3.0974427732	 0.095484
+O	-0.1135700186	 2.3055316169	 2.1043464982	-0.30596
+C	-0.8677121082	 2.0324084316	 0.9038102591	 0.039619
+C	-2.3589722927	 2.2807507363	 1.1717065586	-0.237445
+H	 1.0897261378	 0.5547891713	 1.2020116096	 0.287541
+H	-1.4112722025	 0.0662363999	 0.0503707575	 0.08511
+H	-1.479416557	-0.6808540889	 2.6509462386	 0.075475
+H	-3.6336407198	 0.9033429419	 2.3906263758	 0.067072
+H	-2.0966061956	 2.9558852047	 3.8325798608	 0.098439
+H	-2.2829057377	 1.3189019531	 4.5320369702	 0.098552
+H	 0.1737445311	 1.139544741	 3.785196475	 0.076011
+H	-0.4117648633	 2.5847994049	 0.0821082717	 0.079142
+H	-2.5763849307	 3.3194017347	 1.4357746929	 0.104776
+H	-2.9491360086	 2.0237653894	 0.2853407359	 0.101195
+19
+0 2900	2.8210498	1.4907659	1.1502305	1.3754	75.17	-0.20385	0.06898	0.27283	1097.4993	0.154701	-422.482015	-422.473028	-422.472084	-422.514773	34.969
+C	-0.437958752	-0.6814279413	 3.1142984088	-0.491767
+C	-1.3027064546	 0.1079214959	 2.1777892174	 0.253608
+C	-0.842630602	 0.6359773922	 0.8477223098	 0.013944
+O	 0.5499115694	 0.5874862184	 0.6873090527	-0.435727
+C	-1.3459756494	 1.6088972098	 1.8967346191	-0.163508
+C	-2.8851696152	 1.6152121584	 2.0813965747	-0.120672
+C	-3.6278629123	 0.6719846152	 1.1477650828	-0.377211
+C	-2.8644835146	 0.1289028317	 2.3274395477	 0.3323
+O	-3.4821735878	-0.548248584	 3.3646615097	-0.445744
+H	-0.7137036936	-0.4932922763	 4.1565245844	 0.124626
+H	-0.5406618567	-1.7592641479	 2.9357253028	 0.108266
+H	 0.6115494591	-0.4177501945	 2.9694097252	 0.136952
+H	-1.390435754	 0.4469795311	-0.0736410161	 0.079039
+H	 0.8178756799	 1.3814869125	 0.2129152774	 0.287771
+H	-0.6882237545	 2.3762002976	 2.2874197846	 0.08737
+H	-3.4093287772	 2.3864246888	 2.6308955843	 0.098541
+H	-4.6995503107	 0.6766972411	 1.326660542	 0.113868
+H	-3.3615323304	 0.5144702305	 0.1087843931	 0.112362
+H	-3.7244447434	-1.4268330693	 3.0501862696	 0.285981
+19
+0 2901	2.8774205	1.5013094	1.1609329	2.6368	74.66	-0.20646	0.05381	0.26027	1095.4206	0.15499	-422.482631	-422.473785	-422.472841	-422.515245	34.631
+C	-1.6780176107	 2.9214635812	 4.0153070269	-0.486978
+C	-1.8367460196	 2.053993168	 2.8005891966	 0.275458
+C	-2.9337807001	 2.2199988624	 1.7791275896	-0.356607
+C	-2.8037672421	 0.9112186271	 2.5270008566	-0.10906
+C	-1.6437214929	 0.0032539645	 2.0378418258	-0.19544
+C	-0.8246310037	 0.5972130804	 0.898355905	 0.076986
+O	 0.2517077524	-0.1913911245	 0.4884524621	-0.451837
+C	-0.67237497	 1.1507234963	 2.2845443751	 0.261356
+O	 0.610958673	 1.1784200213	 2.8162092733	-0.456416
+H	-1.1859251315	 2.3869509155	 4.8367965536	 0.104061
+H	-1.0756893691	 3.8113108738	 3.7979099867	 0.128329
+H	-2.6542483021	 3.2584414445	 4.377973417	 0.120063
+H	-3.7580812259	 2.8417831986	 2.1194408524	 0.108663
+H	-2.748425594	 2.3113853247	 0.715549595	 0.118773
+H	-3.5972605176	 0.5432023588	 3.166633479	 0.088977
+H	-1.5549875513	-1.0531445584	 2.2567789038	 0.096478
+H	-1.2723121734	 1.1389242628	 0.0703359807	 0.092618
+H	 0.990181802	 0.0336021649	 1.0709969843	 0.289539
+H	 0.6053830665	 0.7382190382	 3.6727161964	 0.295035
+19
+0 2902	2.248122	1.7908469	1.331264	3.2502	74.82	-0.22699	0.05598	0.28297	1045.2972	0.154734	-422.487242	-422.47853	-422.477586	-422.519814	33.931
+C	 0.0778356925	-1.8497330047	 4.2041423157	-0.50544
+C	-0.456846258	-1.2623315344	 2.9409073922	 0.368772
+O	-0.3261868478	-2.04333234	 1.7243843363	-0.320238
+C	-1.6286906264	-1.538985644	 2.1162377305	-0.045197
+C	-1.7667778214	-0.0578093507	 1.6938983098	-0.225244
+C	-0.5046013868	 0.5138946591	 1.089272034	 0.101776
+O	 0.3092894038	-0.0484231131	 0.1193352798	-0.429808
+C	-0.5201826374	 0.2647861802	 2.5775814663	 0.179366
+C	-0.34311424	 1.3318652939	 3.6208457801	-0.495529
+H	-0.1750543622	-2.9115823494	 4.2613259338	 0.13762
+H	 1.1685962328	-1.7530110514	 4.2483424247	 0.135907
+H	-0.3402531401	-1.3412053676	 5.0782542038	 0.131405
+H	-2.4229342734	-2.269913283	 2.2132080739	 0.111852
+H	-2.7227034939	 0.4524077471	 1.6694025061	 0.090023
+H	-0.6221680512	 1.5763132102	 0.8785845471	 0.103863
+H	 0.3676860942	-0.987054248	 0.3460037705	 0.293622
+H	-0.9555017538	 1.1437572673	 4.5111886677	 0.11627
+H	 0.7019722722	 1.4044492954	 3.9457718366	 0.126192
+H	-0.6328975231	 2.3102961131	 3.224781471	 0.124789
+19
+0 2903	2.8459655	1.4973033	1.1604814	1.2145	75.1	-0.19844	0.05902	0.25746	1103.5175	0.155007	-422.483426	-422.474571	-422.473627	-422.516038	34.688
+C	 2.2867041001	-1.4482818214	 0.5717741233	-0.426606
+C	 1.7585153823	-0.0906278609	 0.1521807204	-0.0993
+C	 2.7990154407	 0.9382364334	-0.2797209412	-0.126378
+C	 2.2391820938	 2.3404251628	-0.6638001036	-0.161566
+C	 0.7199668785	 2.4489175774	-0.5835500351	-0.354708
+C	 1.3321690303	 1.6833925986	-1.6993652431	 0.35996
+O	 1.0508661913	 1.9659801009	-3.0187624907	-0.45729
+C	 1.9111461503	 0.2833623051	-1.3003482158	 0.285238
+O	 2.2990426983	-0.5867699454	-2.3104220986	-0.459299
+H	 2.5977623934	-1.4370902114	 1.6214790101	 0.120448
+H	 1.5173914051	-2.2207670162	 0.4612191582	 0.112899
+H	 3.144535045	-1.7457239949	-0.0373860709	 0.129728
+H	 0.8814381406	 0.2276642997	 0.7084654208	 0.079805
+H	 3.852069446	 0.7604784305	-0.1010565778	 0.093712
+H	 2.8598781859	 3.2249681559	-0.7279057609	 0.092985
+H	 0.1233504235	 2.0045023592	 0.2073013244	 0.110978
+H	 0.3605871803	 3.4251286473	-0.8985516005	 0.119974
+H	 1.7313069923	 1.5274024874	-3.5454654554	 0.288337
+H	 1.5436617723	-1.1441204781	-2.5333510436	 0.291084
+19
+0 2904	2.8727422	1.4872502	1.1667529	1.1261	75.27	-0.22267	0.06351	0.28618	1113.6226	0.154049	-422.484302	-422.475227	-422.474283	-422.517256	34.695
+C	-0.0786798377	 0.067574528	 0.0490940037	-0.433199
+C	 1.4297147499	 0.1956954832	 0.0080308907	-0.08225
+C	 2.1662972489	-0.6662136831	-1.0071722784	-0.173627
+C	 3.7019558791	-0.4003419733	-0.9873912633	-0.065628
+O	 4.0092851089	 0.6218672528	-0.0157506558	-0.288038
+C	 3.7934172482	-0.7261070733	 0.4334924096	 0.352111
+C	 4.8127602969	-1.4042558733	 1.2846738588	-0.50959
+C	 2.2349611059	-0.9945298866	 0.4687507116	 0.297486
+O	 1.7053477571	-2.1074606545	 1.0976720952	-0.454255
+H	-0.471578329	 0.385978472	 1.0214862255	 0.112767
+H	-0.5424482484	 0.6985259737	-0.7160113507	 0.12162
+H	-0.399499799	-0.9645940954	-0.1167971747	 0.12754
+H	 1.8200683132	 1.1887189805	 0.2020427134	 0.107908
+H	 1.6527944512	-1.1999632594	-1.7959008224	 0.095738
+H	 4.4016029275	-0.5314963966	-1.8048724402	 0.104564
+H	 4.7927988037	-1.0122635371	 2.3083821548	 0.125515
+H	 4.6087709187	-2.4780293683	 1.3320120124	 0.138601
+H	 5.8157499612	-1.2475437515	 0.879234208	 0.133617
+H	 1.4285638834	-1.8514304482	 1.9851165618	 0.28912
+19
+0 2905	3.0237967	1.3956785	1.0938628	2.4968	74.3	-0.25077	0.07872	0.32949	1140.551	0.157798	-422.542831	-422.534877	-422.533932	-422.574961	31.247
+C	-0.0657659843	-0.0824643963	-0.0801608712	-0.418638
+C	 1.4439812126	-0.0373143685	-0.1640501013	-0.021633
+C	 2.2068980548	 1.0593329853	 0.5448957124	-0.091042
+C	 3.5514455893	 1.3667907375	-0.0347723073	 0.030846
+O	 4.6320567778	 1.3109251736	 0.9169980652	-0.271407
+C	 4.4062860367	 0.1749391127	 0.0656276253	-0.011057
+C	 3.6834893161	-0.9363374725	 0.8359838915	 0.104811
+O	 4.3453972361	-1.2315506201	 2.0508903461	-0.438305
+C	 2.2750112816	-0.3713956515	 1.0500891744	-0.086799
+H	-0.4165240035	 0.2507929094	 0.9019856282	 0.11858
+H	-0.5255140066	 0.5641668397	-0.8354615725	 0.119756
+H	-0.439221911	-1.0999958701	-0.2376658424	 0.122584
+H	 1.8505062936	-0.3526263519	-1.1240012365	 0.08211
+H	 1.6596484236	 1.8311563045	 1.0757074017	 0.09133
+H	 3.6782807984	 2.1090462978	-0.819112916	 0.100362
+H	 5.2101179524	-0.0501124261	-0.6296808106	 0.100371
+H	 3.6671725741	-1.8717054373	 0.2658092855	 0.086216
+H	 4.561674784	-0.3738928324	 2.4411314568	 0.289111
+H	 1.7661835544	-0.6689720337	 1.9601252806	 0.092805
+19
+0 2906	2.8928654	1.4078237	1.0772798	1.9262	74.3	-0.25199	0.07695	0.32894	1140.5307	0.157209	-422.536979	-422.52887	-422.527926	-422.569217	31.695
+C	 1.3266638456	 1.2182558732	-0.0263086287	-0.4047
+C	 1.1368557926	-0.3017516535	-0.0768331364	-0.03277
+C	 1.8058511717	-0.9375087547	-1.299466875	 0.042099
+O	 3.2087257628	-0.6678841612	-1.3958376144	-0.255805
+C	 2.7935795643	-1.9501650606	-0.8957923878	 0.011354
+C	 2.8136225904	-2.040144313	 0.5980387474	-0.132156
+C	 1.5280480526	-2.5000817855	 1.2505319056	 0.07505
+O	 1.5802446345	-2.9940868956	 2.5556062206	-0.429733
+C	 1.7892870554	-1.0313746299	 1.1045256718	-0.055389
+H	 0.877068509	 1.6375824149	 0.8790559451	 0.113896
+H	 2.3912819223	 1.4665082355	-0.0344934438	 0.137488
+H	 0.8582109442	 1.7028778092	-0.8892772011	 0.111175
+H	 0.062062564	-0.5262017463	-0.1153740619	 0.074629
+H	 1.2787982008	-0.9785379751	-2.2503778375	 0.090774
+H	 3.0604895246	-2.797491641	-1.5236788313	 0.093207
+H	 3.7455377591	-2.2059770055	 1.127716521	 0.09498
+H	 0.7614291201	-2.9489601016	 0.6150600443	 0.081893
+H	 1.9365259858	-3.8882955501	 2.5223341749	 0.28699
+H	 1.9845054602	-0.4855880491	 2.0204411172	 0.097018
+19
+0 2907	2.5814612	1.554632	1.2048539	1.2376	73.54	-0.23494	0.06444	0.29938	1072.8181	0.157695	-422.532237	-422.524134	-422.52319	-422.564398	32.167
+O	-1.5995020452	 1.7879607071	 4.1436712571	-0.44321
+C	-1.6066803141	 0.9572103985	 3.0158155072	 0.086894
+C	-2.7410451907	 1.1068477912	 2.0288463338	-0.106603
+C	-3.032706737	 0.0140628985	 1.0160945034	-0.042963
+C	-2.1958910087	-1.2436320481	 0.9905398252	-0.297683
+C	-1.8488390241	-0.0950427201	 0.0786671859	-0.036803
+C	-0.768594649	 0.888505194	 0.5409121165	 0.075147
+O	 0.4220823945	 0.1715580994	 0.8600999337	-0.431754
+C	-1.36428813	 1.6730029534	 1.7215164036	-0.110241
+H	-2.2258376147	 1.4259229688	 4.7793712479	 0.284799
+H	-1.1497154569	-0.0176858408	 3.1668101039	 0.096044
+H	-3.5508765107	 1.7674494649	 2.317936228	 0.085707
+H	-4.0481989527	-0.045341746	 0.6409208967	 0.081586
+H	-1.5293798952	-1.4811324413	 1.809370682	 0.128493
+H	-2.6396158002	-2.1175270748	 0.5251866381	 0.10657
+H	-1.9785259605	-0.2284696718	-0.9890750208	 0.082946
+H	-0.5669283429	 1.5957261561	-0.277413461	 0.066692
+H	 1.0360189181	 0.7930720638	 1.2645518293	 0.2825
+H	-1.1733212599	 2.7385384571	 1.7919607994	 0.091878
+19
+0 2908	2.9136138	1.6931247	1.3799083	3.1143	73.18	-0.24783	0.07281	0.32064	987.889	0.158712	-422.518988	-422.511711	-422.510767	-422.550107	30.118
+C	-0.0301895603	 0.0205039279	-0.06325958	-0.432848
+C	 1.4862080014	 0.0609692456	 0.05828202	 0.045443
+C	 2.2272116277	-0.4523894329	 1.3572009426	-0.166825
+C	 1.5568176662	 0.443205907	 2.4134745256	 0.04444
+O	 2.362982066	 1.5252646125	 2.9415316293	-0.284818
+C	 1.5754864523	 1.7470741853	 1.7456054226	 0.044447
+C	 2.2537169321	 1.3979024438	 0.4094427909	-0.166817
+C	 3.4140207199	 0.4308689709	 0.8343636393	 0.192532
+O	 4.4901662233	 0.8173448059	 1.6189824752	-0.449237
+H	-0.5388204852	 0.4667979012	 0.7948633535	 0.117688
+H	-0.3568532878	 0.557629951	-0.9603963075	 0.120866
+H	-0.3793656054	-1.0136282271	-0.1565705938	 0.120864
+H	 1.928294089	-0.4006740679	-0.8306021971	 0.079763
+H	 2.3460928034	-1.5121226199	 1.5808077184	 0.066236
+H	 0.7747522223	 0.0900705742	 3.0757315791	 0.109931
+H	 0.8093720538	 2.5084102281	 1.8369943122	 0.109931
+H	 2.3991961468	 2.1955923264	-0.3183592031	 0.066233
+H	 3.83700157	-0.0329929025	-0.059400692	 0.088441
+H	 4.1047780746	 1.2263007704	 2.406583185	 0.29373
+19
+0 2909	3.1210612	1.5548112	1.3236207	2.8461	73.92	-0.23712	0.06294	0.30006	1007.9253	0.159141	-422.518967	-422.511711	-422.510767	-422.549932	30.606
+O	-3.0852765444	 1.3035873253	-1.6216938237	-0.473294
+C	-1.9396202753	 1.1169520756	-0.8378028906	 0.181864
+C	-1.8528030563	-0.2060916975	-0.0053414431	-0.107823
+C	-0.5152661175	-0.0950995809	 0.7423450955	-0.041775
+C	 0.5424734553	 0.8827538375	 0.2957038528	-0.314304
+C	-0.576550254	 1.3746108859	 1.1806423262	-0.041314
+C	-1.9339658882	 1.7726074265	 0.5842425554	-0.141919
+C	-2.7673363594	 0.5115487094	 1.0471955232	 0.137748
+O	-4.1460821125	 0.472843668	 0.7023179407	-0.456577
+H	-3.8453010353	 1.0558239313	-1.0761523133	 0.283067
+H	-1.1032102415	 1.3493118503	-1.4950463882	 0.073881
+H	-2.1317681114	-1.166986506	-0.4380685829	 0.070879
+H	-0.2434407794	-0.8890227993	 1.4287884206	 0.090163
+H	 1.4960309598	 0.7707427784	 0.802680936	 0.109778
+H	 0.6488995923	 1.1950683248	-0.7355075229	 0.122856
+H	-0.3488756206	 1.6804715555	 2.195732412	 0.087733
+H	-2.2921514195	 2.7920810598	 0.7374999788	 0.059959
+H	-2.6305570401	 0.2055382664	 2.09238588	 0.068287
+H	-4.6142743522	 1.0975801489	 1.2662699335	 0.290792
+19
+0 2910	2.8549317	1.5308195	1.2018334	2.0256	74.04	-0.24244	0.07409	0.31653	1069.7463	0.156891	-422.534655	-422.526527	-422.525583	-422.566673	32.096
+C	-0.7654884874	 1.9090962233	-1.0861409772	-0.486969
+C	-0.4256579992	 0.4926722059	-1.4881820526	 0.272796
+C	-1.5925077395	-0.4837744363	-1.7298121261	-0.325864
+C	-1.1767621377	-1.3823794557	-2.8861468749	 0.044576
+O	-0.0321004393	-2.2059037749	-2.6243137387	-0.256428
+C	 0.1603103302	-0.9822180745	-3.3565241236	 0.022673
+C	 0.6558286638	 0.1750207371	-2.5257724415	-0.140429
+C	 0.9062455446	-0.0996400347	-1.0689703941	 0.052992
+O	 1.8585202063	 0.7336919314	-0.4689956689	-0.43345
+H	-1.3418909713	 1.9272057883	-0.1525729704	 0.111118
+H	 0.142138667	 2.4962929528	-0.9304895716	 0.132272
+H	-1.3701037629	 2.4056310968	-1.8536197646	 0.114209
+H	-1.8526433775	-1.0681736106	-0.8397158138	 0.111573
+H	-2.4876548622	 0.0800671742	-2.0190896991	 0.103981
+H	-1.9311644201	-1.8362721969	-3.5249892962	 0.094529
+H	 0.4984428076	-1.1064893088	-4.3812897665	 0.096677
+H	 1.2305961145	 0.9619512545	-3.0001889274	 0.091963
+H	 0.9381809889	-1.1421448594	-0.7613527956	 0.106975
+H	 1.6649942543	 0.7723398376	 0.4737418329	 0.286805
+19
+0 2911	2.9083409	1.533079	1.2080729	0.1037	74.37	-0.22364	0.0725	0.29614	1071.4706	0.156371	-422.52152	-422.513301	-422.512357	-422.55362	32.527
+C	-1.0140590856	-1.2727501754	 0.3993683879	-0.476405
+C	-0.9267639792	-0.2127850439	-0.6607452864	 0.374183
+O	-2.1241835031	 0.5284939981	-0.8334459867	-0.296679
+C	-2.4182698267	 0.6954577718	-2.2005313039	 0.089854
+C	-1.6122155254	 1.6869782952	-2.997671758	-0.328777
+C	-1.2515506568	 0.2119572975	-3.0241848569	-0.07292
+C	-0.2712718497	-0.3515696859	-2.0222134735	-0.148439
+C	 0.3574024115	 0.5321102529	-0.9704630905	 0.005563
+O	 1.5649050371	 0.041383074	-0.4599288342	-0.424442
+H	-1.3272560339	-0.8364823734	 1.3544226387	 0.123416
+H	-1.74277605	-2.0424654083	 0.1262120285	 0.122743
+H	-0.0389336341	-1.7453129334	 0.5378238646	 0.129229
+H	-3.4601224344	 0.5078102558	-2.4378216709	 0.097165
+H	-2.0778184251	 2.0850830088	-3.8936656048	 0.111236
+H	-0.97702645	 2.3933287023	-2.477325621	 0.121445
+H	-1.3906412297	-0.3418195344	-3.944515289	 0.093445
+H	 0.2764038745	-1.249839189	-2.2819203267	 0.101477
+H	 0.3071570753	 1.6136826006	-1.083999615	 0.088339
+H	 1.6416733253	 0.3363667666	 0.4540586381	 0.289569
+19
+0 2912	3.1103	1.4018374	1.1958167	2.991	74.56	-0.24489	0.07047	0.31536	1093.7381	0.156848	-422.539627	-422.53141	-422.530465	-422.571857	32.105
+C	-0.1191389395	 0.0233157201	-0.0507495895	-0.429095
+C	 1.3900167038	 0.0414105735	-0.1445054249	-0.078717
+C	 2.1636359191	 1.2384642328	 0.3887447342	-0.144168
+C	 3.5096270818	 1.4692256008	-0.2253771384	 0.025449
+O	 4.5672727151	 1.5995300924	 0.735434834	-0.256811
+C	 4.3818790624	 0.3296008104	 0.1031493866	 0.055158
+C	 3.6361322946	-0.6790493238	 0.9700122007	-0.329809
+C	 2.2310532922	-0.0830727016	 1.1128175957	 0.40278
+O	 1.5983235814	-0.1879110829	 2.352827038	-0.469324
+H	-0.4543511692	 0.4340039089	 0.9047351357	 0.133267
+H	-0.5724015712	 0.6113444446	-0.8557202002	 0.119514
+H	-0.5075930108	-0.9986674844	-0.1300910607	 0.111389
+H	 1.7981966132	-0.4251459169	-1.0398697436	 0.076671
+H	 1.6094434745	 2.0663857424	 0.8178752011	 0.099679
+H	 3.6269239699	 2.0602185632	-1.1310705707	 0.093718
+H	 5.1971330567	 0.0091205518	-0.5411121591	 0.092873
+H	 3.6322276579	-1.6732665019	 0.50614692	 0.093968
+H	 4.1056392333	-0.764221048	 1.9554737793	 0.120383
+H	 1.2836144246	-1.0931992313	 2.4537996419	 0.283075
+19
+0 2913	3.026444	1.472382	1.1822213	2.2156	73.79	-0.21694	0.06237	0.27931	1075.3919	0.157512	-422.534094	-422.52612	-422.525175	-422.565861	32.341
+O	 0.2781598345	-0.0397301708	 0.3272537248	-0.444901
+C	-0.9219108107	 0.6229611958	 0.6425192904	-0.008054
+C	-2.2240272343	-0.127141699	 0.3914938368	-0.193556
+C	-3.5095268172	 0.3611131797	 1.0216653594	-0.033303
+C	-3.5090840352	 1.593832371	 1.8963957249	-0.304404
+C	-3.8385342463	 1.7242989769	 0.4304597856	-0.03168
+C	-2.7407739008	 2.0959047843	-0.5656687752	-0.310428
+C	-1.733009689	 0.9444765398	-0.580383561	 0.433274
+O	-1.1714378588	 0.6746535014	-1.8215707733	-0.476806
+H	 0.3471609149	-0.8295943834	 0.8730650603	 0.293677
+H	-0.832155027	 1.3228691624	 1.4708003739	 0.08871
+H	-2.1335720153	-1.1793045546	 0.1408086011	 0.083398
+H	-4.2833880026	-0.3790782537	 1.1889384806	 0.08376
+H	-4.3341229469	 1.697048903	 2.5935524969	 0.107894
+H	-2.5759165935	 1.9936649694	 2.2770332004	 0.111569
+H	-4.8582471901	 1.9823310583	 0.1679857367	 0.085148
+H	-3.1587845545	 2.1656254939	-1.5749210843	 0.120432
+H	-2.2677017036	 3.0594925324	-0.3452273161	 0.104745
+H	-0.3076450438	 0.2771325833	-1.6431819221	 0.290525
+19
+0 2914	2.596364	1.8212974	1.4054168	1.5685	73.69	-0.22989	0.06505	0.29494	978.7451	0.1574	-422.530809	-422.522943	-422.521999	-422.562552	31.306
+C	 0.1372308247	 2.0641161029	-1.7592902897	-0.514336
+C	 0.0774082329	 0.6043428268	-2.1494049572	 0.24574
+C	-1.2974818213	 0.069305397	-2.5602799492	-0.117429
+O	-1.0466348403	-1.2220261071	-3.1251874042	-0.272182
+C	 0.3230041655	-1.2496738398	-3.4692200789	 0.099489
+C	 1.3631910579	-1.1287811763	-2.3734398744	-0.112814
+C	 1.0026885854	 0.0554868822	-3.2828709659	-0.16801
+C	 0.7477014291	-0.4394804631	-1.1682797412	 0.09314
+O	 1.7846123	 0.0987866563	-0.3714497296	-0.43787
+H	-0.5494802905	 2.2836915972	-0.9324045251	 0.109917
+H	 1.1471213763	 2.3367524591	-1.4434736164	 0.1354
+H	-0.1463326188	 2.7071867942	-2.5995234688	 0.120724
+H	-1.9793017562	-0.0525511233	-1.7104373851	 0.100546
+H	-1.7761398687	 0.7255440919	-3.3039652827	 0.089634
+H	 0.5402291681	-1.8974182122	-4.3098782851	 0.105068
+H	 2.2643575614	-1.7307812381	-2.3479764469	 0.089842
+H	 1.5801194034	 0.6147016738	-4.0074604181	 0.087093
+H	 0.0497045583	-1.0292371604	-0.5542437928	 0.062987
+H	 1.3815600027	 0.5394065889	 0.3834380814	 0.283061
+19
+0 2915	2.1872144	1.9574388	1.7309955	2.2098	73.48	-0.24632	0.0873	0.33362	936.6323	0.157813	-422.544215	-422.53649	-422.535546	-422.575814	30.989
+C	 1.4405653715	-0.3947694303	-3.222185687	-0.487283
+C	 0.5326222288	 0.3446517097	-2.274048767	 0.353838
+O	 0.9575653253	 1.7199562706	-2.1842487735	-0.31943
+C	-0.1346852285	 2.505237457	-1.6795571635	-0.121952
+C	-1.315494687	 1.5546963035	-1.6124984821	-0.071507
+C	-1.1419879657	 0.2199638642	-0.9163766837	-0.127821
+C	-1.0027472306	 0.3479778432	-2.4386088932	-0.130703
+C	 0.3357799029	-0.1757025321	-0.8098019861	 0.128383
+O	 1.1675093087	 0.3755125142	 0.1748332877	-0.457941
+H	 2.4732499079	-0.3646688871	-2.8616177825	 0.132659
+H	 1.1356925009	-1.4415760742	-3.3057617625	 0.121449
+H	 1.4120134389	 0.0598784228	-4.2170531196	 0.126054
+H	 0.1288747575	 2.926950108	-0.7014736323	 0.105149
+H	-0.3249608752	 3.3335053094	-2.3736167432	 0.106761
+H	-2.3187464698	 1.9647334735	-1.6256786131	 0.09558
+H	-1.9575724451	-0.2200525053	-0.3544601746	 0.086582
+H	-1.5926825689	-0.0609244631	-3.2470005229	 0.091768
+H	 0.4201823551	-1.2673581934	-0.7642551872	 0.079145
+H	 1.5644548135	 1.1583852792	-0.2315091339	 0.28927
+19
+0 2916	2.6136946	1.8283281	1.4092208	2.3438	73.53	-0.22895	0.06195	0.2909	979.6168	0.157413	-422.531763	-422.523979	-422.523035	-422.563368	31.295
+C	 0.709696755	 0.7537256387	 0.1758775027	-0.435475
+C	 0.9396511892	-0.746984604	 0.3147598473	-0.036976
+C	 1.5839136421	-1.3837212646	-0.9234481359	-0.10233
+C	 2.2434406784	-2.6895166885	-0.5364479636	 0.105623
+O	 1.8041038324	-3.3596368978	 0.6288539759	-0.271259
+C	 2.0942691621	-2.5042097813	 1.7352211125	-0.106018
+C	 2.245358495	-1.1152024369	 1.114334885	 0.353109
+O	 2.7714254182	-0.2153689414	 2.0376573597	-0.486451
+C	 2.9605222258	-1.4195324041	-0.2471536319	-0.215659
+H	 0.4563216203	 1.2064519381	 1.140122846	 0.124025
+H	 1.5951301799	 1.2638356215	-0.2252978378	 0.107937
+H	-0.1149464314	 0.9579021455	-0.5143536501	 0.123276
+H	 0.0269857668	-1.23294226	 0.6816400986	 0.073122
+H	 1.3378162167	-1.1454370747	-1.9531859664	 0.081246
+H	 2.562074716	-3.3643159532	-1.3219133465	 0.10408
+H	 1.2671321973	-2.5599852694	 2.4496961619	 0.109733
+H	 3.0260692011	-2.8053437353	 2.2363581358	 0.09784
+H	 2.8216206531	 0.6537481579	 1.6271666842	 0.285019
+H	 3.9520768419	-1.1282640106	-0.5690003873	 0.089158
+19
+0 2917	2.1243532	1.9014967	1.6627184	2.933	73.15	-0.24479	0.06532	0.31011	950.6411	0.158108	-422.549779	-422.541921	-422.540976	-422.581426	31.712
+O	 0.6918719862	 0.0548725981	 0.7531244024	-0.441434
+C	-0.6353552693	 0.4275878713	 0.4590892213	 0.123263
+C	-1.086495031	 1.8795494844	 0.5395440375	-0.13686
+C	-1.4801000074	 2.2806637522	 1.9558593381	-0.042825
+C	-0.9395143729	 1.4957676138	 3.1553750283	-0.258918
+C	-1.355241816	 0.0278465572	 2.8766325579	-0.274534
+C	-1.809763332	 0.0291161498	 1.4100282617	 0.372138
+O	-2.4788573143	-1.1184829825	 0.9747920089	-0.499492
+C	-2.4194315863	 1.4469606598	 1.1439440174	-0.158526
+H	 1.0185381779	 0.6281802702	 1.4526019902	 0.282919
+H	-0.858613545	 0.0118020895	-0.5274873519	 0.101412
+H	-0.9050400841	 2.6351024174	-0.2163525387	 0.08503
+H	-1.6885035582	 3.3381625909	 2.0788979411	 0.087098
+H	 0.1446986561	 1.6095081863	 3.2750069761	 0.091327
+H	-1.3879206115	 1.8668131729	 4.0819488346	 0.10485
+H	-0.544637591	-0.688916645	 3.0317222247	 0.114909
+H	-2.1936692472	-0.2673533119	 3.5202640806	 0.085125
+H	-3.153256694	-1.3429570079	 1.6252902135	 0.275224
+H	-3.42792152	 1.6874571634	 0.8371807763	 0.089296
+19
+0 2918	2.2432012	1.8329997	1.3987611	0.498	74.51	-0.22718	0.07683	0.30401	1014.398	0.157599	-422.533729	-422.525697	-422.524753	-422.565844	31.27
+C	-2.7980954778	 2.4892483332	 2.0388311328	-0.525754
+C	-2.4136970037	 1.098530248	 1.6379992251	 0.351872
+C	-3.3092685647	-0.0372592737	 1.2512955641	-0.142098
+C	-3.0269220498	-1.229412974	 2.1558332424	-0.104049
+O	-1.8181815343	-0.8938272603	 2.8519631205	-0.268539
+C	-1.2505806151	 0.2137788891	 2.1702135012	-0.019416
+C	-0.8738610592	-0.1318038204	 0.6886161234	 0.100563
+O	 0.1356894235	 0.7094813994	 0.1623360914	-0.439404
+C	-2.2286711734	 0.4242125856	 0.2787414257	-0.132066
+H	-3.0998472943	 2.5300944488	 3.0920875244	 0.123704
+H	-1.9664703252	 3.1884354895	 1.9000236178	 0.127969
+H	-3.6395695063	 2.8513057911	 1.4386105358	 0.119895
+H	-4.3323510987	 0.1731542403	 0.9603950647	 0.091588
+H	-3.8267229998	-1.3765226233	 2.8918337653	 0.104291
+H	-2.8960256898	-2.1687765487	 1.6017682971	 0.099605
+H	-0.463320516	 0.6541340892	 2.7832969232	 0.077714
+H	-0.6580097543	-1.192027185	 0.489220362	 0.06223
+H	 0.9797289358	 0.4109970119	 0.5171254977	 0.282393
+H	-2.4736174469	 0.7984676291	-0.7088283246	 0.089501
+19
+0 2919	2.2526668	1.8187994	1.3945195	1.61	74.52	-0.22663	0.0758	0.30243	1014.423	0.15738	-422.530755	-422.52273	-422.521786	-422.562871	31.303
+C	-2.8798980175	 2.5995267871	 1.8285771077	-0.522186
+C	-2.4623159794	 1.1879794045	 1.5527937613	 0.305137
+C	-3.3001273261	 0.0146686373	 1.1945902601	 0.053247
+O	-3.1218997755	-1.0971821775	 2.0489486686	-0.27443
+C	-2.048606334	-0.7569511085	 2.9378457655	-0.09315
+C	-1.3100946896	 0.3703500975	 2.221602925	-0.169552
+C	-0.857507688	-0.0905592408	 0.7946426194	 0.141722
+O	 0.1902107565	 0.6930734859	 0.2563451907	-0.446195
+C	-2.18013095	 0.4173968916	 0.2483680939	-0.161398
+H	-3.2174727992	 2.7210645759	 2.8649558758	 0.119912
+H	-2.054072392	 3.2992908826	 1.6594578083	 0.127546
+H	-3.7068123331	 2.8979660375	 1.1756571888	 0.121758
+H	-4.3215263206	 0.1300239897	 0.8505643461	 0.102291
+H	-2.4465508201	-0.432135036	 3.9114604071	 0.093086
+H	-1.4355078702	-1.6521531663	 3.0908024561	 0.103077
+H	-0.5581974877	 0.8997230461	 2.8073282323	 0.070322
+H	-0.6449865701	-1.1650334776	 0.6826361678	 0.063227
+H	 1.0113053024	 0.4147102669	 0.6750506129	 0.279393
+H	-2.357893976	 0.7098810641	-0.7809653574	 0.086195
+19
+0 2920	2.2577326	1.8270219	1.3978527	1.0921	74.19	-0.2253	0.07405	0.29935	1016.6702	0.157471	-422.529888	-422.521932	-422.520988	-422.561831	31.355
+C	 1.0260166546	 1.1506694268	 0.039207576	-0.414115
+C	 1.0266922471	-0.3733434015	 0.0617130762	 0.000151
+C	 1.8584882285	-1.0023963194	-1.0633944096	-0.126107
+C	 2.2526562092	-2.4403084983	-0.6805477718	-0.176904
+C	 1.4925796823	-3.1192521806	 0.451752662	-0.107077
+O	 1.6414611189	-2.2463911455	 1.5830109631	-0.269838
+C	 2.0592531734	-0.988215454	 1.0738946926	-0.004492
+C	 3.0091252407	-1.2722751753	-0.1257020505	 0.383528
+O	 4.3463948591	-0.9777636924	-0.2721792213	-0.467811
+H	 0.5726548066	 1.5552433743	 0.9505227742	 0.115545
+H	 2.0470811166	 1.5419395776	-0.0345191611	 0.12411
+H	 0.461256867	 1.5356005576	-0.8167311578	 0.114977
+H	 0.0083969429	-0.7578612129	 0.1903353528	 0.070428
+H	 1.8869828932	-0.6843338923	-2.099719252	 0.088441
+H	 2.7085414206	-3.0308036264	-1.4665825165	 0.095088
+H	 0.4273332239	-3.2652056349	 0.2252929278	 0.099732
+H	 1.920447895	-4.0963662045	 0.7060405183	 0.102183
+H	 2.3918457324	-0.3590066537	 1.899535584	 0.083317
+H	 4.859942058	-1.6557386846	 0.1818480135	 0.288842
+19
+0 2921	2.2713844	1.8111473	1.3930239	0.9796	74.23	-0.22071	0.07097	0.29168	1017.1463	0.157318	-422.527394	-422.519442	-422.518498	-422.559337	31.366
+C	 1.1181952052	 1.1350368968	 0.1225937283	-0.414339
+C	 1.0436460789	-0.3866428079	 0.1321075989	 0.031166
+C	 1.8035168191	-1.0500606161	-1.0203498081	-0.150456
+C	 2.0944003132	-2.5082213318	-0.6443978358	 0.005743
+O	 1.2919391261	-3.137337441	 0.331786738	-0.270745
+C	 1.5199402592	-2.4320186233	 1.5642026565	-0.097157
+C	 2.0480324236	-1.0673479054	 1.1271014676	-0.15072
+C	 2.9530809917	-1.427872729	-0.0967180892	 0.342671
+O	 4.3092539502	-1.2342714712	-0.2477588485	-0.466345
+H	 0.7083928763	 1.553797139	 1.0483744272	 0.111449
+H	 2.1545827168	 1.4768824231	 0.0251693092	 0.124047
+H	 0.5490634122	 1.5528815857	-0.7150616922	 0.114488
+H	 0.0055843057	-0.7190844155	 0.2528041176	 0.072611
+H	 1.82805358	-0.7214402575	-2.0541687865	 0.08529
+H	 2.4456310401	-3.1720573958	-1.4257074206	 0.104363
+H	 0.5700823293	-2.3859293737	 2.1065895976	 0.108616
+H	 2.2540493617	-2.9725544378	 2.1837825847	 0.084813
+H	 2.4613213816	-0.4403028919	 1.9170290798	 0.076934
+H	 4.7702555793	-2.0167289469	 0.0749838356	 0.287572
+19
+0 2922	2.2206278	1.7925594	1.3799868	2.5161	73.93	-0.24242	0.0703	0.31272	1016.6671	0.158028	-422.541059	-422.533134	-422.53219	-422.572952	31.661
+O	 0.328002723	-0.1917360993	 0.4916238735	-0.442585
+C	-0.9581559059	 0.3615459537	 0.670686337	 0.155871
+C	-1.4865225143	 0.224303557	 2.0975960129	-0.166525
+C	-2.6209508031	 1.2328731158	 2.3615036795	-0.125111
+C	-3.3887274806	 1.811980303	 1.1736520387	-0.23717
+C	-2.2914773459	 2.5332040418	 0.3374156117	-0.224345
+C	-0.9797769955	 1.9195568704	 0.8456811369	-0.143005
+C	-1.1923837816	 1.681514198	 2.3800765378	 0.357207
+O	-0.4894719853	 2.2262763869	 3.4353340387	-0.467309
+H	 0.8651245904	 0.0694391198	 1.2491925347	 0.280886
+H	-1.566497629	-0.0404607356	-0.1466132029	 0.0779
+H	-1.3663079275	-0.6470858002	 2.7322869018	 0.090403
+H	-3.1195199748	 1.0832316695	 3.3136956947	 0.087212
+H	-3.8912949036	 1.0303025507	 0.5945375493	 0.106317
+H	-4.1662558782	 2.5063360648	 1.5071039835	 0.097441
+H	-2.4263596533	 2.3963508666	-0.7401302904	 0.101429
+H	-2.3055878279	 3.6118333377	 0.5330411935	 0.093391
+H	-0.0612560391	 2.410565398	 0.5227514798	 0.072102
+H	-0.8936793777	 3.0683823615	 3.6725167593	 0.285891
+19
+0 2923	2.7681023	1.7080465	1.2308488	2.6156	74.57	-0.23514	0.07868	0.31382	1036.1386	0.157571	-422.522309	-422.514532	-422.513588	-422.553999	31.006
+C	-3.4990524252	 0.530776754	 0.6177186158	-0.509118
+C	-2.5492513463	 0.9526822535	 1.7169764563	 0.297707
+C	-3.1736403175	 1.4025245354	 3.0395859636	-0.13251
+O	-2.0174627456	 1.717345126	 3.8205873367	-0.282683
+C	-0.9672390653	 1.4331915615	 2.9204002167	 0.148084
+C	-1.3284416365	 1.9241481575	 1.4835450194	-0.157044
+C	-0.5247387732	 0.7485187841	 0.9131941637	 0.119159
+O	 0.8737176057	 0.9141155669	 0.9890530883	-0.446064
+C	-1.2683409892	 0.1279499499	 2.1212437865	-0.190595
+H	-4.1183976052	-0.3128159649	 0.9434655339	 0.121484
+H	-4.175903953	 1.3515444577	 0.3542086279	 0.122776
+H	-2.979566933	 0.2261687194	-0.2944892336	 0.124388
+H	-3.8124730226	 2.2890035598	 2.9282918391	 0.098234
+H	-3.7580799983	 0.609346092	 3.5248490321	 0.097412
+H	 0.0030461467	 1.626180129	 3.3665412782	 0.10226
+H	-1.366363662	 2.9518255999	 1.1197437127	 0.072379
+H	-0.8266869466	 0.3886184796	-0.0766036998	 0.065277
+H	 1.2888014404	 0.0806724687	 0.7467754336	 0.283047
+H	-1.2421842532	-0.9002386099	 2.4876829888	 0.065809
+19
+0 2924	2.9965249	1.7300919	1.2863746	2.381	75.13	-0.23379	0.07581	0.3096	1004.3009	0.15748	-422.524843	-422.517116	-422.516172	-422.556391	31.007
+C	-1.6940083363	-1.2939477882	-0.2331597165	-0.499346
+C	-2.0842432137	-0.2602650622	 0.788652536	 0.502092
+O	-3.4468397751	-0.4616382448	 1.1627621228	-0.318717
+C	-3.6864904197	 0.5696717009	 2.122373346	-0.110188
+C	-2.3292069997	 1.2490289487	 2.1493820145	-0.066025
+C	-1.8100297684	 1.2823203813	 0.6719117121	-0.189266
+C	-0.3859902798	 1.0770512155	 1.2493427699	 0.126888
+O	 0.6343800373	 0.4932367743	 0.4727467134	-0.43855
+C	-1.2526538552	 0.111765278	 2.0707345064	-0.155609
+H	-0.6546477002	-1.16956394	-0.5311735914	 0.144616
+H	-1.8339899714	-2.2965684251	 0.1831793546	 0.122554
+H	-2.3403890788	-1.2075018104	-1.1125754761	 0.119243
+H	-4.4949309705	 1.2297073732	 1.7821089471	 0.099034
+H	-3.9729880775	 0.1347171729	 3.0887077852	 0.099922
+H	-2.169716573	 2.1054106079	 2.8048716305	 0.072083
+H	-2.1370232904	 1.9601593926	-0.1190805611	 0.066491
+H	 0.0004442685	 1.9355610829	 1.8146949454	 0.067645
+H	 1.0101776282	 1.1773023722	-0.0899490671	 0.284078
+H	-0.9394081843	-0.5506046898	 2.8788578383	 0.073052
+19
+0 2925	3.025029	1.6816112	1.263032	2.293	74.51	-0.23613	0.06252	0.29865	1021.0519	0.15731	-422.516102	-422.508184	-422.50724	-422.548043	31.22
+C	-0.0961363153	 0.1375785483	 0.2367174606	-0.446509
+C	 1.4083100672	 0.1193681636	-0.013206411	 0.014321
+C	 2.394933997	-0.4474146565	 1.0424387715	-0.171449
+C	 3.5318627524	 0.3173807892	 0.309065848	 0.155075
+O	 4.5501402197	 0.7111209385	 1.2041960608	-0.284094
+C	 3.7935407059	 1.1570183343	 2.3334748951	-0.125444
+C	 2.3665409419	 0.9219215428	 1.8410680606	 0.369532
+O	 1.4148495448	 1.2934272907	 2.7844718978	-0.481067
+C	 2.336752658	 1.3223627392	 0.32401749	-0.191745
+H	-0.5901962061	 0.9044594217	-0.3703439013	 0.120027
+H	-0.5332115418	-0.8270966484	-0.0429909026	 0.125623
+H	-0.3642515698	 0.3005126596	 1.2838178783	 0.109974
+H	 1.5915681843	-0.270060518	-1.0229014876	 0.068056
+H	 2.4419675986	-1.455086188	 1.4577400421	 0.072512
+H	 3.9404780854	-0.0475019265	-0.6310910297	 0.092039
+H	 4.0360761359	 0.565589247	 3.2245631865	 0.10819
+H	 3.9931832864	 2.2148705614	 2.5424920708	 0.104679
+H	 0.6028510191	 1.5412569572	 2.3363912097	 0.290485
+H	 2.3223096865	 2.3326273436	-0.0905742497	 0.069795
+19
+0 2926	3.0684266	1.7056493	1.2848425	2.9093	74.35	-0.24125	0.06245	0.30369999999999997	999.9995	0.158965	-422.537212	-422.529891	-422.528947	-422.568313	30.449
+O	 0.6917283182	 0.7948137279	 0.7251557846	-0.461421
+C	-0.7007531405	 0.7181527315	 0.7623243455	 0.177332
+C	-1.5536950457	 1.8777634824	 1.353062207	-0.156387
+C	-2.7215524467	 0.8570866672	 1.5437756241	-0.009462
+C	-3.5234327387	 1.2392434939	 2.7934339548	-0.243255
+C	-2.363431096	 1.6528787089	 3.734973684	-0.299488
+C	-1.1845527782	 1.4047611902	 2.7918198634	 0.429042
+O	 0.1009990821	 1.7394401769	 3.2602329928	-0.498953
+C	-1.4390984771	 0.081989127	 1.9747191405	-0.189838
+H	 0.9758244109	 1.1483900359	 1.5793554017	 0.286585
+H	-1.0237286504	 0.357283827	-0.2186044045	 0.07535
+H	-1.6328321289	 2.9121017432	 1.0124291902	 0.069377
+H	-3.2596875863	 0.5175655578	 0.6586032124	 0.071072
+H	-4.2204064563	 2.060195519	 2.6001031547	 0.103202
+H	-4.1051107236	 0.3975684404	 3.1814809986	 0.100856
+H	-2.4099856118	 2.6990864931	 4.051761866	 0.10722
+H	-2.3023618915	 1.0337229783	 4.637697232	 0.089825
+H	 0.2585111213	 1.2623720048	 4.0825874651	 0.286404
+H	-1.3872315907	-0.9439634055	 2.346928597	 0.062536
+19
+0 2927	2.8339706	1.6129701	1.3704606	2.5746	74.64	-0.23259	0.07163	0.30422	1008.7807	0.157418	-422.526159	-422.518223	-422.517279	-422.558106	31.06
+C	-0.5034596721	 3.3523699951	 0.9452892291	-0.537061
+C	-1.3660643753	 2.1272114655	 0.8221929399	 0.263434
+C	-0.9632791314	 0.6805838104	 0.4356584165	 0.078453
+O	-0.1679091674	-0.0616222148	 1.3335115304	-0.446512
+C	-2.4717417018	 0.5702115342	 0.6798118675	-0.120491
+C	-2.6571439537	 1.9391684549	-0.0571408454	-0.109012
+C	-3.7809169086	 2.6683336932	 0.668438048	-0.110676
+O	-3.4771941142	 2.3423731143	 2.0339257903	-0.284691
+C	-2.3270265249	 1.5246707674	 1.9011178939	 0.108998
+H	 0.3231099385	 3.1770674138	 1.6435158069	 0.11944
+H	-0.0733091511	 3.6431705391	-0.0199174142	 0.116382
+H	-1.0806044394	 4.2013118843	 1.3272334915	 0.132843
+H	-0.6372116427	 0.5403741552	-0.6040461301	 0.061282
+H	 0.7544553412	 0.1601324442	 1.1736208744	 0.283574
+H	-3.1046288556	-0.3126669648	 0.5936650566	 0.075107
+H	-2.5995263934	 1.9956401287	-1.1449493702	 0.068936
+H	-3.7586736557	 3.756067474	 0.5242708236	 0.100242
+H	-4.7803658551	 2.3003654458	 0.4040286773	 0.101954
+H	-1.9749070173	 1.1831037994	 2.870153694	 0.097796
+19
+0 2928	2.9396423	1.5723027	1.3658398	0.7305	74.51	-0.22908	0.07214	0.30122	1019.6477	0.157413	-422.525514	-422.517575	-422.516631	-422.557448	31.161
+C	-0.042231757	-0.145560857	-0.213717602	-0.435878
+C	 1.4338394277	 0.0896518307	 0.074056754	-0.025158
+C	 1.9380993061	 1.4593732418	 0.6170607304	-0.109808
+C	 3.2241397063	 0.7563926526	 1.1609973486	-0.122162
+C	 3.5779215279	 1.4308449315	 2.4768905756	-0.125852
+O	 2.2673351841	 1.6261247888	 3.0428095229	-0.289902
+C	 1.4152402766	 1.0994220227	 2.0377166858	 0.049788
+C	 2.0190346025	-0.2177743191	 1.4650093435	 0.374916
+O	 2.0597845403	-1.4696424568	 2.0454325777	-0.481314
+H	-0.6947788508	 0.2405199039	 0.5743031963	 0.116475
+H	-0.3352895143	 0.3359522741	-1.1528656079	 0.116043
+H	-0.2443694249	-1.2169188228	-0.3149146872	 0.127796
+H	 2.0504745659	-0.2957220571	-0.745456867	 0.070291
+H	 1.8926838328	 2.4311914449	 0.1304932265	 0.079214
+H	 4.0136760676	 0.4492238374	 0.4757002078	 0.074943
+H	 4.1848187386	 0.7990654446	 3.1392432007	 0.097774
+H	 4.0830098101	 2.3975182095	 2.359698616	 0.104562
+H	 0.3742006382	 1.2019931935	 2.3345013063	 0.087297
+H	 2.1976072723	-1.3583048333	 2.9931616319	 0.290976
+19
+0 2929	2.8976981	1.5717841	1.3769948	1.734	74.61	-0.25106	0.07423	0.32529	1009.3185	0.15819	-422.539441	-422.531606	-422.530662	-422.571179	31.253
+O	 0.4067687767	-0.0980278064	 0.3742577795	-0.451211
+C	-0.7679615519	 0.4834875499	 0.8940844359	 0.054383
+C	-0.7968292914	 0.9845398234	 2.3620632403	-0.128526
+C	 0.2156570416	 2.116404954	 1.9965386388	-0.073898
+C	-0.1162957693	 3.3715553742	 2.8031818339	-0.244726
+C	-1.6697925578	 3.312665792	 2.7666018727	-0.241004
+C	-1.8669261938	 2.0442034691	 1.934903856	-0.050029
+C	-0.8074528252	 2.0169129806	 0.8020232443	 0.386589
+O	-0.8776831805	 2.8117495085	-0.326405711	-0.486048
+H	 0.4129409932	-1.0318089927	 0.6044767027	 0.284866
+H	-1.6670338728	-0.0455786868	 0.549665071	 0.062056
+H	-0.8074363227	 0.3877759675	 3.2726860446	 0.069579
+H	 1.2568456561	 1.8509779171	 1.8228554939	 0.072053
+H	 0.2861753312	 3.3328066412	 3.8203198591	 0.093113
+H	 0.279227278	 4.2739424153	 2.3265323648	 0.101333
+H	-2.1146550767	 3.2228026073	 3.7625181149	 0.093654
+H	-2.1149607378	 4.1873574751	 2.2832922875	 0.106758
+H	-2.8830108726	 1.7125202092	 1.7119979549	 0.061573
+H	-0.1271253242	 2.5920993613	-0.8899580442	 0.289484
+19
+0 2930	2.9281057	1.4618222	1.2510961	2.3351	74.79	-0.23491	0.06421	0.29912	1069.9259	0.15647	-422.492398	-422.484145	-422.483201	-422.524666	32.047
+C	-0.5026789018	-0.8138271622	 2.9672254385	-0.512482
+C	-1.3721044327	 0.0435600779	 2.094711522	 0.330647
+C	-0.8995845518	 0.6758365032	 0.8232236095	 0.038309
+O	 0.4948812897	 0.6703462841	 0.6869043951	-0.439182
+C	-1.44561759	 1.5836854331	 1.9046471806	-0.190167
+C	-2.983348008	 1.5527508333	 1.9923820855	-0.074716
+C	-3.7996808963	 1.2941539391	 0.70757904	-0.109609
+O	-3.5976899466	-0.1399052162	 0.8257965236	-0.299884
+C	-2.9209312063	 0.0191435118	 2.1014675864	 0.04182
+H	-0.5842502381	-1.8687414091	 2.6775686822	 0.123121
+H	 0.5444970677	-0.5199972091	 2.8683039863	 0.141343
+H	-0.7875629685	-0.7354053819	 4.0223663333	 0.111861
+H	-1.4450815388	 0.4998412994	-0.1017517752	 0.103428
+H	 0.7468720538	 1.4671793286	 0.2094448546	 0.288572
+H	-0.8047916514	 2.348109279	 2.3297929323	 0.086576
+H	-3.4237382989	 2.1752346234	 2.7697404978	 0.081417
+H	-4.8634072078	 1.5477174142	 0.7934559594	 0.101835
+H	-3.4075750715	 1.6959325523	-0.2340367147	 0.100013
+H	-3.3857845026	-0.5642411309	 2.9008604228	 0.0771
+19
+0 2931	3.3887656	1.3683739	1.1296813	1.2179	74.99	-0.23699	0.07191	0.3089	1104.4103	0.156662	-422.504984	-422.496706	-422.495762	-422.537374	31.864
+C	-2.2849843026	-1.1829679028	-0.7131986303	-0.507984
+C	-2.1283314714	-0.3013624569	 0.4914593173	 0.340399
+C	-0.8510905181	 0.4300970066	 0.7988147327	 0.036626
+O	 0.2503018901	 0.0001912999	 0.0514144461	-0.433634
+C	-1.3862257426	-0.529059497	 1.8359521519	-0.186422
+C	-2.509365731	 0.1503082637	 2.5909238117	 0.110648
+O	-3.5398374457	-0.7547702959	 3.0300578417	-0.293904
+C	-4.3190910977	-0.5296025679	 1.8351055004	-0.084764
+C	-3.2578224929	 0.4112407537	 1.2354275502	-0.16954
+H	-2.9818281793	-2.0064923079	-0.5248767494	 0.117817
+H	-2.6693510921	-0.6096672688	-1.565805408	 0.118103
+H	-1.321009217	-1.6058320796	-1.0031956335	 0.141552
+H	-0.8713731581	 1.5075873287	 0.9876019233	 0.077705
+H	 1.0210041941	 0.0022999925	 0.628091313	 0.290721
+H	-0.8076191395	-1.3843163872	 2.1666816797	 0.093048
+H	-2.2717697896	 0.9009248034	 3.3511749273	 0.074892
+H	-4.5236494666	-1.4568618033	 1.286361901	 0.101828
+H	-5.2723475134	-0.0399134113	 2.0714335479	 0.100131
+H	-3.5901397367	 1.3865773902	 0.8742463171	 0.072777
+19
+0 2932	2.9446196	1.4550533	1.2526246	1.0342	74.56	-0.23628	0.0664	0.30268	1074.8455	0.156451	-422.494399	-422.486144	-422.4852	-422.526676	32.055
+C	 0.0758847518	 0.1284256062	-0.063638043	-0.435321
+C	 1.5837344275	-0.0215592736	-0.0593172533	-0.084752
+C	 2.1632002981	-1.0864302344	-0.9747229437	-0.150659
+C	 3.7076068104	-1.0992687656	-0.9789854704	-0.074563
+C	 4.4793310498	 0.2099324033	-0.7032256404	-0.111567
+O	 4.3371841567	 0.0385832848	 0.7325753951	-0.299699
+C	 3.6939546438	-1.2487350624	 0.5531513337	 0.03478
+C	 2.1456086065	-1.2740365902	 0.5490135398	 0.369623
+O	 1.396808403	-2.1679185749	 1.2941815739	-0.463101
+H	-0.278522808	 0.5715520804	 0.8740659724	 0.11343
+H	-0.2479228931	 0.7829335978	-0.8792398925	 0.12061
+H	-0.4211786627	-0.838132977	-0.1825001964	 0.1304
+H	 2.1276055722	 0.9071711938	 0.08961578	 0.099765
+H	 1.5414207201	-1.5504897228	-1.7311890266	 0.092259
+H	 4.1681094494	-1.8403814788	-1.6300896476	 0.082613
+H	 5.5351605697	 0.1751039473	-0.9974913867	 0.10256
+H	 4.0362051271	 1.1469097088	-1.0595529011	 0.103094
+H	 4.1758320804	-2.0616223635	 1.1023162252	 0.081921
+H	 1.0813289871	-1.7170790393	 2.0859802114	 0.288608
+19
+0 2933	2.9458356	1.4611813	1.2427044	1.7501	74.58	-0.2409	0.06721	0.30811	1074.1578	0.156292	-422.494147	-422.485848	-422.484904	-422.5265	32.122
+C	 0.8819155512	-0.4476558584	-0.6691291209	-0.437162
+C	 1.0542458757	 0.2902103795	 0.6431925129	-0.089612
+C	 1.9333031446	 1.5242043697	 0.627232799	-0.135189
+C	 1.9304930261	 2.2064627115	 2.0083796173	 0.105019
+O	 0.6994408583	 2.1435320019	 2.7816913481	-0.298982
+C	 1.183698879	 1.0033431573	 3.5384936616	-0.112588
+C	 2.4610424329	 0.9261851464	 2.67846696	-0.144728
+C	 2.4093791853	 0.226323346	 1.2959046569	 0.364306
+O	 3.4093622404	-0.6278363133	 0.8642645801	-0.459997
+H	 0.5891143634	-1.4904430464	-0.4997059363	 0.110858
+H	 0.0987138039	 0.0189343348	-1.2749337997	 0.124188
+H	 1.8075381602	-0.4523200591	-1.2506543194	 0.130709
+H	 0.160476181	 0.3256752062	 1.2597508227	 0.101385
+H	 2.2358041627	 1.9857916192	-0.3055908049	 0.087163
+H	 2.4185081913	 3.1811657771	 2.0752532159	 0.08042
+H	 1.3653695452	 1.2759733228	 4.585339021	 0.101831
+H	 0.4921891021	 0.1527700326	 3.5021267002	 0.098376
+H	 3.4347868435	 0.8816824739	 3.1630832444	 0.086365
+H	 3.1038979231	-1.5362951318	 0.967011351	 0.287639
+19
+0 2934	3.0063672	1.4284507	1.2424771	2.608	74.23	-0.22776	0.06138	0.28914	1069.5562	0.157019	-422.498231	-422.490214	-422.48927	-422.530112	32.229
+O	 0.3401147268	 0.5255533326	 0.3371470579	-0.453606
+C	-0.9475301804	 0.1205569099	 0.6926401831	 0.091281
+C	-1.3010374984	 0.3186713817	 2.1561274241	-0.201488
+C	-2.7341365352	-0.1499378388	 2.4772773669	-0.020666
+C	-3.3362518823	-1.383409533	 1.7276537886	-0.240334
+C	-3.913220274	-0.434137227	 0.6257047633	-0.243546
+C	-3.3061301143	 0.7919784254	 1.374467165	-0.094095
+C	-1.8705098961	 1.2411523749	 1.0491860341	 0.316413
+O	-1.4967029655	 2.5012648695	 0.6016009296	-0.467197
+H	 0.2804095822	 1.466572233	 0.1236812935	 0.290419
+H	-1.2725170668	-0.7568590956	 0.1381393289	 0.092487
+H	-0.4948800139	 0.4641401903	 2.866001271	 0.092591
+H	-3.0215963137	-0.0204218519	 3.5211749731	 0.069332
+H	-2.6170353063	-2.1341583593	 1.3918978952	 0.10659
+H	-4.1119358778	-1.8934889604	 2.3033917012	 0.099568
+H	-3.5489261109	-0.5942808814	-0.3920951679	 0.105555
+H	-5.0050919405	-0.4211434329	 0.5975726077	 0.100108
+H	-3.9758665869	 1.6147302392	 1.6321327355	 0.063528
+H	-1.6249305562	 3.1379460937	 1.3126818693	 0.293059
+19
+0 2935	4.0369426	1.3944115	1.2163705	1.6773	74.44	-0.24622	0.09258	0.3388	1061.3797	0.159186	-422.511542	-422.504349	-422.503405	-422.542782	28.917
+C	-0.0338299791	 0.1134580024	-0.088716177	-0.437547
+C	 1.4790385426	 0.1716759648	 0.0732632412	 0.028158
+C	 2.1917191078	-0.4044518475	 1.3308961681	-0.13506
+C	 3.4190134194	 0.4613645535	 0.9166330136	 0.155826
+O	 4.3525142674	 0.7770433861	 1.9220424458	-0.278501
+C	 3.7798946159	 1.6307212621	 2.8813229492	 0.015598
+O	 2.4884968202	 1.2181680619	 3.2496848776	-0.278158
+C	 1.728519637	 0.8598075407	 2.1156588566	 0.14872
+C	 2.1816241735	 1.4039758401	 0.7158606832	-0.17282
+H	-0.5824716282	 0.4110292902	 0.808040785	 0.122786
+H	-0.3556442909	 0.7696312641	-0.9046445095	 0.120391
+H	-0.3478847166	-0.9040991607	-0.3447676266	 0.121719
+H	 1.9615025738	-0.1396361848	-0.8612091126	 0.070198
+H	 2.2050694643	-1.4347716577	 1.6875242545	 0.074234
+H	 3.9718841812	 0.1541477138	 0.0258967957	 0.082053
+H	 4.4092766356	 1.6047480321	 3.773510662	 0.118886
+H	 3.736417923	 2.6571352995	 2.4779532013	 0.085502
+H	 0.6798732312	 0.9405754738	 2.3970281691	 0.081692
+H	 2.1666837319	 2.4314700755	 0.3494782528	 0.076321
+19
+0 2936	3.858353	1.3969759	1.2033346	2.151	74.62	-0.23557	0.07806	0.31363	1055.5016	0.159509	-422.518022	-422.51084	-422.509896	-422.549184	29.233
+O	 0.8152740864	-0.1321907559	 0.6019754905	-0.443259
+C	-0.4508476254	 0.3342623103	 0.9985125523	 0.13796
+C	-0.5729946727	 1.4533914151	 2.0728772604	-0.150313
+C	-1.9938221122	 0.8823250348	 2.3661866251	-0.002994
+C	-2.5614875356	 1.1701108453	 3.7534024466	-0.260876
+C	-1.672413973	 0.4937261108	 4.7989121034	-0.064972
+O	-0.2970352186	 0.6097038772	 4.4645591106	-0.281728
+C	-0.0379302626	 0.4074598044	 3.1009793388	 0.164731
+C	-1.0693751205	-0.3793914729	 2.2159462999	-0.145087
+H	 1.1868727107	 0.5014603739	-0.0193748346	 0.284842
+H	-1.1286392635	 0.447103195	 0.141534835	 0.065108
+H	-0.2960037184	 2.5061780404	 1.9864246591	 0.064131
+H	-2.7271915498	 1.0242112715	 1.5652754485	 0.061124
+H	-2.6052261092	 2.2542435067	 3.9148173578	 0.103826
+H	-3.5850843794	 0.7899476896	 3.846130292	 0.099255
+H	-1.7922496987	 0.9295417537	 5.7945225277	 0.104076
+H	-1.9405165902	-0.5724328135	 4.8647672301	 0.092925
+H	 1.0083508596	 0.1249075655	 3.0056028746	 0.09639
+H	-1.3529699768	-1.4309690121	 2.2768147823	 0.074861
+19
+0 2937	3.9788442	1.3521813	1.1777364	1.6054	74.95	-0.24337	0.07803	0.3214	1065.7925	0.159349	-422.514608	-422.507358	-422.506414	-422.545919	29.121
+O	 0.6490257493	 0.6647113624	 0.066691697	-0.442312
+C	-0.6407168302	 0.6908818175	 0.6250475805	 0.140702
+C	-1.1368356136	 2.0782663361	 1.0787030473	-0.093368
+C	-2.1715680483	 1.3265414136	 1.9692929517	-0.019491
+C	-2.7196198689	 2.0684426702	 3.1803145939	-0.108663
+O	-1.7127656959	 2.3482369416	 4.1349756164	-0.246441
+C	-0.5001830637	 2.7784721544	 3.5389743888	-0.118472
+C	-0.1585793924	 1.9754001907	 2.293872812	-0.007209
+C	-0.8231991937	 0.5614641435	 2.1677932509	-0.119648
+H	 0.940991057	-0.2512234873	 0.0282721073	 0.284519
+H	-1.3533635736	 0.1110382705	 0.0213460344	 0.061058
+H	-1.3211296135	 2.9509105624	 0.4491565538	 0.069149
+H	-2.9602866117	 0.793232869	 1.4271338515	 0.06222
+H	-3.2232105177	 2.9963017805	 2.8540438055	 0.085226
+H	-3.464558899	 1.4575383103	 3.7013218739	 0.106745
+H	-0.5434944392	 3.8545994103	 3.2921389103	 0.085334
+H	 0.2701875272	 2.6497424125	 4.3067477858	 0.106828
+H	 0.8997036903	 2.0307543403	 2.038554369	 0.085015
+H	-0.6483669224	-0.3160229985	 2.7928496	 0.068805
+19
+0 2938	3.0531046	1.1928623	0.9830058	2.5701	78.15	-0.22473	0.01375	0.23848000000000003	1241.7351	0.156273	-422.560278	-422.551373	-422.550429	-422.593375	34.022
+C	 1.3306366188	 0.7589053846	 0.5289958839	-0.494627
+C	-0.0573226268	 0.2194283095	 0.3855778711	 0.254373
+C	-1.1956765538	 0.8995587807	 0.1830346386	-0.189841
+C	-2.3940770457	 0.021060532	 0.1748634733	-0.141091
+C	-2.6246630538	-0.7365159498	 1.4799346829	 0.090394
+O	-3.8717651932	-1.3099984385	 1.7260120498	-0.426605
+C	-1.8421706534	-1.3862300807	 0.3851706764	-0.11195
+C	-0.319029007	-1.2814393172	 0.4171493546	 0.042063
+O	 0.312818798	-1.9587417906	-0.6685737333	-0.432308
+H	 1.724052771	 0.5871742444	 1.5393382664	 0.126411
+H	 2.0125550422	 0.2498688099	-0.1613172948	 0.135787
+H	 1.3704237565	 1.833617946	 0.3314747903	 0.119375
+H	-1.2597175285	 1.9796841168	 0.0965071469	 0.092238
+H	-3.2531055273	 0.2227796006	-0.4552235813	 0.089705
+H	-2.0892571751	-0.3708115414	 2.3581282851	 0.085694
+H	-4.453838584	-0.6213271759	 2.0644484244	 0.287742
+H	-2.2927279762	-2.2481523171	-0.0919514899	 0.103676
+H	 0.1038323399	-1.7539534106	 1.3118919994	 0.092879
+H	 0.0144297383	-1.5264152327	-1.4772975136	 0.276086
+19
+0 2939	2.9914521	1.313549	1.212825	2.6911	77.43	-0.22311	0.0217	0.24481	1119.4667	0.157176	-422.539741	-422.531507	-422.530563	-422.571889	32.757
+C	 1.7633092931	-0.6457103603	 1.9518344762	-0.517462
+C	 0.4538112701	-0.6819641599	 1.2406544826	 0.335655
+C	 0.1182222241	-0.3165070769	-0.0101508396	-0.202592
+C	-1.3605422378	-0.6463186906	-0.1108812828	-0.142467
+C	-1.3471762635	-2.0855620172	 0.5695304086	 0.194398
+O	-2.5366881743	-2.7924051734	 0.6781400975	-0.451675
+C	-0.8578440067	-1.2053442745	 1.8073353384	-0.233205
+C	-1.8337222908	-0.0930270371	 1.2692409226	 0.142477
+O	-3.2231574969	-0.3027670293	 1.488988719	-0.454525
+H	 1.7156270594	-0.0259616931	 2.856365191	 0.124378
+H	 2.0705910975	-1.6476973576	 2.2773562263	 0.129448
+H	 2.5512296704	-0.2432606795	 1.3082865943	 0.125333
+H	 0.7440506931	 0.0880138185	-0.7939648864	 0.096665
+H	-1.9070177638	-0.438576399	-1.0302364648	 0.068296
+H	-0.5930889434	-2.769881377	 0.173590572	 0.08245
+H	-3.205276444	-2.1648771462	 0.9896039906	 0.285319
+H	-0.8940949587	-1.5708061846	 2.8351637064	 0.055587
+H	-1.5563799986	 0.9434162985	 1.4972250643	 0.071726
+H	-3.4168076393	-0.0983022808	 2.4100708237	 0.290195
+19
+0 2940	3.4899456	1.1678248	1.0067118	2.1624	78.06	-0.21124	0.02275	0.23399	1228.8058	0.155839	-422.558671	-422.54986	-422.548916	-422.591414	34.26
+C	 1.3318917533	 0.8493547255	 0.2287026457	-0.487478
+C	-0.0500413209	 0.2793685376	 0.2677901475	 0.307519
+C	-1.2055488985	 0.9407321952	 0.1107915718	-0.17748
+C	-2.3911403618	 0.0564941086	 0.2642778938	-0.227983
+C	-2.5389971431	-0.5867172628	 1.6464958882	 0.005777
+O	-3.7600014686	-1.1976440022	 1.9685025866	-0.438374
+C	-1.8052934704	-1.3280861466	 0.5666360158	 0.433041
+O	-2.3432377572	-2.5182533505	 0.1015048238	-0.481365
+C	-0.2916660122	-1.202987219	 0.4945075573	-0.378048
+H	 1.8558066101	 0.7018954036	 1.1818362661	 0.124502
+H	 1.9418128082	 0.3549707497	-0.538670125	 0.125352
+H	 1.3181931047	 1.9215857888	 0.0140949716	 0.122079
+H	-1.2819397256	 2.00755862	-0.0733864551	 0.086161
+H	-3.289553628	 0.1822428792	-0.3320582657	 0.086412
+H	-2.0042888734	-0.1429097428	 2.4871225659	 0.08738
+H	-4.4433494496	-0.521104935	 2.0135562286	 0.295096
+H	-3.1808629074	-2.6354970322	 0.5711072103	 0.290523
+H	 0.1978277029	-1.5727551724	 1.4044516372	 0.108839
+H	 0.0969314177	-1.808161165	-0.3364409243	 0.118049
+19
+0 2941	2.7021929	1.3791456	1.1597438	2.5585	76.7	-0.22782	0.00868	0.2365	1128.5631	0.155823	-422.559093	-422.550302	-422.549358	-422.591765	34.373
+C	-3.4281493032	 2.2713055555	-1.8369678975	-0.4134
+C	-2.6646409623	 2.1557806526	-0.5171816734	 0.35293
+O	-2.0624587084	 3.4361353408	-0.3230006384	-0.469578
+C	-3.5773066907	 1.759429617	 0.6409030051	-0.151259
+C	-3.297548967	 0.5495594045	 1.1306411418	-0.095511
+C	-2.1074119366	-0.050259136	 0.4613850993	-0.143675
+C	-0.8190378045	 0.7374418515	 0.6730715171	 0.073543
+O	 0.4077908504	 0.129904673	 0.4127579979	-0.428936
+C	-1.6560125903	 0.9964920012	-0.5436646846	-0.110617
+H	-3.9074015166	 1.3219126024	-2.0892204028	 0.118443
+H	-4.1970069282	 3.0456065212	-1.7629944472	 0.11956
+H	-2.7388614362	 2.54876947	-2.6406233244	 0.122419
+H	-1.4992426888	 3.3785238495	 0.4562177644	 0.272873
+H	-4.3510700721	 2.4321644935	 0.9934203635	 0.099012
+H	-3.8191666858	 0.0632899876	 1.9480204475	 0.098071
+H	-2.0320884165	-1.1133028445	 0.2635056782	 0.093235
+H	-0.8208788976	 1.4615357038	 1.4913280289	 0.076707
+H	 0.6395458521	-0.4127919916	 1.1739689925	 0.288237
+H	-1.2129663073	 0.7020338981	-1.4875623478	 0.097948
+19
+0 2942	2.2176289	1.721953	1.3339985	2.2193	75.98	-0.23319	-0.0051	0.22809000000000001	1042.126	0.156573	-422.556841	-422.548156	-422.547212	-422.589479	33.823
+C	-0.8292383945	-0.5367444469	 3.2355056959	-0.471329
+C	-1.431398343	 0.4054089091	 2.2209486484	 0.203447
+C	-2.8911682015	 0.7582203516	 2.2919864899	 0.096179
+O	-3.7458510153	 0.7637908842	 1.1934469439	-0.427162
+C	-1.8543266187	 1.8486839673	 2.5589433433	-0.194058
+C	-1.4922638241	 2.6546740721	 1.366249949	-0.076193
+C	-0.9915216906	 1.9003833701	 0.3779855848	-0.187729
+C	-0.818996312	 0.4566664291	 0.8031969627	 0.064696
+O	 0.5376123852	 0.0305318939	 0.7413810649	-0.430091
+H	-1.334358763	-0.4393098498	 4.2016976584	 0.111644
+H	-0.9244834866	-1.57840128	 2.9106086376	 0.128616
+H	 0.2357428986	-0.3394291423	 3.3907504591	 0.112287
+H	-3.4264234623	 0.3928246336	 3.1640911208	 0.105412
+H	-3.361830007	 1.3422340818	 0.5209045065	 0.283785
+H	-1.7806175863	 2.2749044596	 3.5541025714	 0.085686
+H	-1.6801139093	 3.7213003996	 1.3035569354	 0.108237
+H	-0.699619868	 2.2448621372	-0.6074956205	 0.105027
+H	-1.353047798	-0.2326585622	 0.1376048416	 0.104567
+H	 1.0679447564	 0.7039158019	 1.1821989867	 0.276979
+19
+0 2943	2.3358395	1.5554355	1.2701857	1.6015	76.41	-0.22959	0.00416	0.23374999999999999	1087.5056	0.156062	-422.556061	-422.54711	-422.546166	-422.589013	34.307
+C	 1.3263447088	-0.6706466102	-1.1744552105	-0.430793
+C	 0.9429867208	 0.092587717	 0.072835014	-0.074988
+C	 1.6954494929	 1.3754907762	 0.4449540331	-0.15552
+C	 0.9437237137	 2.2997762217	 1.346866553	-0.074614
+C	 0.7016365856	 1.7396794728	 2.5349782978	-0.144199
+C	 1.3194878016	 0.3571150044	 2.6452913103	 0.013317
+O	 0.4378298959	-0.664060567	 3.1014396362	-0.437394
+C	 1.9044529026	 0.1215715677	 1.246638826	 0.379235
+O	 3.1139902857	-0.5668979314	 1.1590416986	-0.475857
+H	 0.9954267354	-1.713948756	-1.1143008571	 0.114715
+H	 0.8659402308	-0.2286232013	-2.0642610812	 0.118266
+H	 2.4101506123	-0.6757501217	-1.3114083342	 0.134903
+H	-0.1224091345	 0.1057544213	 0.2970894055	 0.067527
+H	 2.4507553267	 1.7418308996	-0.2412364969	 0.098002
+H	 0.6129801911	 3.2843302786	 1.0342061853	 0.101557
+H	 0.1373118569	 2.1785369475	 3.3494953613	 0.102263
+H	 2.1417976454	 0.345649339	 3.3723946892	 0.099874
+H	-0.3234482995	-0.6693784934	 2.5101620093	 0.275909
+H	 2.9463886778	-1.4797782648	 1.4216810502	 0.287798
+19
+0 2944	2.6417444	1.579443	1.1396652	2.1602	76.6	-0.21707	0.01809	0.23516	1101.6659	0.156222	-422.554956	-422.546256	-422.545312	-422.587543	34.001
+C	 1.3546394434	 1.1837860481	-0.1051009934	-0.390089
+C	 1.0741441177	-0.323363231	 0.0086476916	-0.103923
+C	 1.5267808797	-1.0973698522	-1.214573675	-0.093053
+C	 2.5050039163	-1.9691677829	-0.9483623356	-0.081296
+C	 2.8200923265	-2.0138398628	 0.5036150059	-0.231526
+C	 1.648697511	-2.4648086356	 1.381467081	 0.002455
+O	 1.9093527477	-2.8243929935	 2.7118140951	-0.439644
+C	 1.8581911897	-0.9989329641	 1.1395314376	 0.427943
+O	 2.190771159	-0.2047709248	 2.2266150863	-0.484959
+H	 1.0530709248	 1.7036555165	 0.8070880512	 0.130218
+H	 2.4204361058	 1.3703722513	-0.2662830072	 0.121866
+H	 0.8022723275	 1.6096616066	-0.9488066931	 0.105119
+H	-0.0035953437	-0.4595501625	 0.1739773042	 0.083369
+H	 1.0965348172	-0.9185489107	-2.1937392411	 0.093606
+H	 2.9904416453	-2.6072821214	-1.6787348085	 0.094367
+H	 3.8264507326	-2.1716655213	 0.8783253411	 0.086932
+H	 0.8244393844	-2.999120841	 0.907935729	 0.09084
+H	 2.4505904599	-3.6203659089	 2.7189101939	 0.295694
+H	 2.246768025	-0.8005450899	 2.986734127	 0.29208
+19
+0 2945	2.1707851	1.7842174	1.6015843	2.4591	76.01	-0.23014	0.01526	0.2454	978.62	0.156795	-422.541423	-422.533142	-422.532198	-422.5734	33.204
+C	-2.7248280472	 0.7944801108	-0.9652211552	-0.517316
+C	-2.2350968872	 0.1900956101	 0.3267533854	 0.236704
+C	-2.8329744404	 0.5889962066	 1.6671927926	-0.138097
+C	-2.1576296534	-0.1472042394	 2.5645001295	-0.09988
+C	-1.1921767594	-0.9484303437	 1.7150706148	-0.188853
+C	-0.6885190996	 0.2075362036	 0.7438118708	 0.1581
+O	 0.2563328723	-0.0925174721	-0.2291840198	-0.451861
+C	-2.1693194143	-1.3624105866	 0.5541526771	 0.101694
+O	-1.5928097377	-2.0348017991	-0.5582039632	-0.454986
+H	-2.1297259924	 0.4331473404	-1.8085925368	 0.129491
+H	-3.7731789851	 0.5395662082	-1.1562272868	 0.115252
+H	-2.6423751153	 1.8864474721	-0.9411027059	 0.119233
+H	-3.6069573359	 1.3290088903	 1.8196796154	 0.099596
+H	-2.2398271336	-0.1682156598	 3.6420872657	 0.102012
+H	-0.5081994735	-1.6556190553	 2.1851112519	 0.058839
+H	-0.3612471649	 1.1191127995	 1.2497658004	 0.081276
+H	-0.0497643776	-0.8944766855	-0.6777370819	 0.286263
+H	-3.1048735823	-1.8471327672	 0.8598700002	 0.070554
+H	-1.4698239724	-2.9605618128	-0.3236110341	 0.291979
+19
+0 2946	2.1378115	1.7313376	1.6209569	1.8204	75.4	-0.23023	0.00894	0.23917	987.8313	0.156057	-422.531071	-422.522427	-422.521482	-422.563477	33.97
+C	 1.665833354	-0.5966344639	-1.0256952507	-0.452116
+C	 1.2846633419	 0.2365135016	 0.1928083585	 0.02538
+C	 2.0057428098	 1.6180484371	 0.4649508759	-0.136256
+C	 1.2452657981	 2.0732069795	 1.7093251654	-0.086086
+C	 1.1772608586	 0.9649536476	 2.4592598148	-0.175505
+C	 1.9157797016	-0.0644673141	 1.6020335387	 0.30346
+O	 2.0788409734	-1.3915501692	 1.9992405561	-0.498271
+C	 3.1571692637	 0.816198199	 1.1934339699	 0.121401
+O	 4.1231509847	 0.1807332859	 0.3976343273	-0.453907
+H	 1.3664850826	-1.6397126625	-0.8728746542	 0.121986
+H	 1.1229130587	-0.2276572611	-1.9030849533	 0.110218
+H	 2.7306316182	-0.5681040258	-1.2480943695	 0.137878
+H	 0.1950179769	 0.3118005817	 0.2470015041	 0.070815
+H	 2.2166087104	 2.3318915335	-0.3287493934	 0.07035
+H	 0.8801456003	 3.069705738	 1.9145182769	 0.104581
+H	 0.7408757152	 0.7965975828	 3.4347214785	 0.100034
+H	 2.3364246451	-1.4096114255	 2.9276978129	 0.284563
+H	 3.6390662519	 1.3676272611	 2.0114349352	 0.06292
+H	 4.116125225	-0.7530233956	 0.6426239769	 0.288554
+19
+0 2947	2.2807048	2.0189381	1.3658613	2.4494	75.96	-0.2295	0.01217	0.24167	989.0364	0.156825	-422.537601	-422.529565	-422.528621	-422.569229	32.986
+C	-3.6940981391	-0.7675356106	-1.6262798525	-0.441583
+C	-2.3822858291	-0.6110753675	-0.8750534015	 0.47107
+O	-1.7661758048	-1.8635688027	-0.9513587453	-0.497798
+C	-2.3678566716	 0.078414085	 0.5765237184	-0.197134
+C	-2.9839115416	 1.4261990812	 0.262221872	-0.095099
+C	-2.3739932691	 1.7982018617	-0.8757292799	-0.095794
+C	-1.4296062825	 0.647447103	-1.1720927461	-0.162534
+C	-0.8622200394	 0.4547421074	 0.2744005033	 0.132144
+O	 0.1193738754	-0.5681373335	 0.3718580533	-0.451683
+H	-4.2760171647	-1.5705281909	-1.1633694455	 0.119669
+H	-4.2892525374	 0.1439011852	-1.6373263905	 0.116921
+H	-3.4821327576	-1.0704962374	-2.6563140141	 0.120647
+H	-0.9069964298	-1.7943704969	-0.50850874	 0.284135
+H	-2.6673284385	-0.4623785049	 1.4754381783	 0.057488
+H	-3.7527364501	 1.9325531069	 0.8288169268	 0.100524
+H	-2.5190512015	 2.682595947	-1.4797710922	 0.101419
+H	-0.776705854	 0.6866739192	-2.0438529585	 0.067968
+H	-0.5084770312	 1.3692648953	 0.7628718946	 0.077505
+H	 0.3114337167	-0.7139050475	 1.3044867295	 0.292135
+19
+0 2948	2.3351511	1.4984406	0.9789794	1.9569	77.18	-0.23565	0.01737	0.25302	1197.4357	0.157458	-422.555461	-422.547016	-422.546072	-422.588124	32.891
+O	-2.7071032613	 2.6690266934	-1.7939695292	-0.430967
+C	-2.5880170359	 1.8273591348	-0.6872376211	 0.081796
+C	-2.5959347241	 2.5045347144	 0.6602794843	-0.097893
+C	-3.2432005254	 1.8716182112	 1.8337290761	-0.076377
+C	-2.5822145008	 1.0185567169	 2.6194909829	-0.068845
+C	-1.1414888482	 0.6444531195	 2.3591250406	-0.283465
+C	-0.8446318484	 0.5911779605	 0.847917933	 0.107281
+O	 0.5471643279	 0.478522079	 0.574622359	-0.44519
+C	-1.3285464844	 1.8508619371	 0.1424712658	-0.091127
+H	-2.1400157788	 2.3233251299	-2.4917251046	 0.287366
+H	-3.1099643287	 0.8713605718	-0.7644006868	 0.083824
+H	-2.6441580163	 3.5885492965	 0.5982172747	 0.102819
+H	-4.278771179	 2.1276434264	 2.0440482966	 0.090468
+H	-3.0784310242	 0.5675640587	 3.4743612289	 0.088182
+H	-0.4611023862	 1.3752426715	 2.8174834547	 0.119255
+H	-0.9098816341	-0.3259843445	 2.8163474168	 0.087184
+H	-1.3815610144	-0.279908002	 0.4368908582	 0.065852
+H	 0.8718990981	-0.3121485532	 1.017838795	 0.279537
+H	-0.5325483757	 2.5053353383	-0.195965605	 0.100298
+19
+0 2949	2.8109532	1.4829141	1.1605873	2.1082	77.58	-0.22488	0.01348	0.23836	1103.8474	0.156285	-422.543148	-422.534483	-422.533539	-422.575878	33.216
+C	 1.4154100852	-1.6598254161	-2.3279668686	-0.451415
+C	 0.338029846	-0.6359491077	-2.0732957937	 0.376587
+O	-0.2261217205	-0.1005857779	-3.2479114803	-0.299493
+C	-1.5509263601	-0.5256205733	-3.5426416635	-0.131196
+C	-2.4911846832	-0.3862214059	-2.3721817196	-0.081523
+C	-2.0302219677	-0.4746728838	-1.1256323498	-0.080877
+C	-0.5942858705	-0.7431797259	-0.8847294432	-0.190956
+C	 0.4631155444	 0.3643528668	-0.9597463583	 0.030969
+O	 1.5924515644	 0.2882915669	-0.1462736221	-0.4221
+H	 1.9143429498	-1.9357458176	-1.3966582549	 0.129575
+H	 0.9950590518	-2.5620979714	-2.7848405691	 0.11236
+H	 2.1650844792	-1.2484695631	-3.0112194242	 0.127053
+H	-1.8777824455	 0.1014859868	-4.3783552477	 0.114328
+H	-1.5533156783	-1.5678746718	-3.9068475418	 0.102688
+H	-3.5423978087	-0.2179780339	-2.5854867127	 0.093966
+H	-2.6895725141	-0.3642819699	-0.2687620012	 0.090038
+H	-0.3551797396	-1.5270297994	-0.169776208	 0.095344
+H	 0.101787942	 1.3652046653	-1.1938019377	 0.095249
+H	 1.3380100255	 0.5470950518	 0.7457448066	 0.289404
+19
+0 2950	2.9106514	1.4241724	1.1154018	2.0905	76.91	-0.22206	0.01826	0.24032	1120.4401	0.157346	-422.556007	-422.547621	-422.546677	-422.588438	32.981
+O	 0.3323749869	-0.0726464441	 0.1473916894	-0.43539
+C	-0.8188203777	 0.5585697004	 0.6390370345	-0.00666
+C	-2.1818651874	-0.0760855334	 0.3584897149	-0.210815
+C	-3.3127522206	 0.1183797612	 1.2980988895	-0.062837
+C	-4.1128052486	 1.1826906279	 1.2111302233	-0.069647
+C	-3.9257518453	 2.2452197732	 0.153636091	-0.252731
+C	-2.4408374512	 2.4443190462	-0.208449431	-0.27842
+C	-1.7059041245	 1.1290546584	-0.4348277035	 0.432826
+O	-1.2830154887	 0.9472459898	-1.7539733122	-0.486977
+H	 0.4165531846	-0.9360464706	 0.5648079658	 0.294777
+H	-0.6851869251	 1.1091419583	 1.5702160453	 0.091319
+H	-2.1235425303	-1.030212202	-0.1620588873	 0.090554
+H	-3.4748667312	-0.634910376	 2.0660987256	 0.082507
+H	-4.9403668157	 1.2981786987	 1.906065795	 0.08755
+H	-4.4899300433	 1.9632492673	-0.7468438213	 0.120256
+H	-4.3549456087	 3.1950143002	 0.4901928106	 0.098983
+H	-2.34107149	 3.0400646146	-1.1198662667	 0.115566
+H	-1.953714551	 3.0046655383	 0.5980675604	 0.101695
+H	-0.4502029623	 0.4572108515	-1.7027201832	 0.287444
+19
+0 2951	2.8744393	1.2263714	1.007154	3.0108	74.85	-0.24076	-0.02088	0.21988	1218.3171	0.155779	-422.574512	-422.565415	-422.564471	-422.608672	33.465
+C	-0.452520378	 2.0814026166	 1.2224452871	-0.405288
+C	-0.7862398277	 1.3354030234	-0.0809438791	-0.095535
+C	-2.2062139325	 0.8020746462	-0.1320680297	-0.119524
+C	-2.6275749172	 0.0099042226	-1.3394975254	 0.134517
+O	-3.9577624027	-0.0224864165	-1.7656256798	-0.434392
+C	-2.1752965754	-0.7367912594	-0.1137126168	-0.117908
+C	-0.7322715573	-1.1912247689	-0.0593984805	-0.336477
+C	 0.1127758058	 0.0857146758	-0.2115498059	 0.378898
+O	 1.3030582507	 0.1146731397	-0.383852149	-0.314437
+H	-0.671869807	 1.4633090327	 2.0997207092	 0.118462
+H	 0.608191974	 2.3442349686	 1.2446082414	 0.13921
+H	-1.0412726854	 3.0001646717	 1.3025111116	 0.120411
+H	-0.5570838403	 1.9943937581	-0.9272141511	 0.104569
+H	-2.9804035597	 1.3360678387	 0.4115896728	 0.081585
+H	-1.9761204163	 0.0120886425	-2.2108319334	 0.108749
+H	-4.5322112733	 0.0283657401	-0.9949933311	 0.284209
+H	-2.92568519	-1.2905390604	 0.4410344468	 0.085799
+H	-0.4858218693	-1.6435733288	 0.9095667971	 0.133413
+H	-0.4475092683	-1.9169137526	-0.8281775341	 0.133739
+19
+0 2952	2.778142	1.2632883	1.058821	3.862	75.52	-0.23232	-0.02781	0.20451	1203.0194	0.156317	-422.57578	-422.566923	-422.565978	-422.609318	33.169
+C	-4.0037474463	 0.0031557535	-1.7823010662	-0.420657
+C	-2.5685616395	-0.0071683766	-1.3043639357	-0.019887
+C	-2.1961554271	-0.7319200735	-0.0367677795	-0.061838
+C	-0.7649762378	-1.2247102544	 0.0629987403	-0.343253
+C	 0.0981227906	 0.0151267407	-0.2259901944	 0.349285
+O	 1.2465741865	 0.012484468	-0.5779275955	-0.302255
+C	-0.761773083	 1.2860775283	 0.0297974075	 0.038104
+O	-0.4655995439	 1.8135953236	 1.3205198677	-0.427572
+C	-2.1868905541	 0.7979617874	-0.0846085881	-0.100602
+H	-4.6995218409	 0.0307927028	-0.9371168965	 0.11724
+H	-4.2077503287	 0.8776808442	-2.4091409999	 0.124764
+H	-4.2302835008	-0.8923472473	-2.3707233065	 0.122829
+H	-1.831892863	-0.0440408733	-2.1068067715	 0.092161
+H	-2.9764522346	-1.2595087438	 0.5004793073	 0.088109
+H	-0.5326682233	-1.5806274612	 1.0759956217	 0.12712
+H	-0.5038825275	-2.0326903659	-0.6265151423	 0.132509
+H	-0.4884963155	 2.0718251817	-0.6793625433	 0.108705
+H	-0.8229997915	 1.204963636	 1.977182717	 0.282916
+H	-2.9564148795	 1.3829707699	 0.4082057579	 0.092321
+19
+0 2953	3.0524548	1.2650933	1.0101799	4.2356	75.54	-0.26532	0.01135	0.27667	1225.899	0.156764	-422.59319	-422.58453	-422.583586	-422.626446	32.304
+C	-4.0043172143	 0.2044230413	 1.6962899641	-0.419319
+C	-2.5517885526	 0.1338092268	 1.2823488792	-0.066645
+C	-2.1224185365	 0.7097685865	-0.0349665806	 0.078853
+O	-0.7822521962	 1.1522924919	-0.13256547	-0.217736
+C	 0.0857498283	 0.0970437929	-0.0704753451	 0.421726
+O	 1.2709902206	 0.2443688931	-0.1219939979	-0.338258
+C	-0.6913615952	-1.2246744599	 0.0682840766	-0.155095
+C	-0.3702821947	-2.1587891898	-1.1064941182	-0.40871
+C	-2.1411135109	-0.7863675362	 0.1435204891	-0.081249
+H	-4.2614144146	-0.6138312321	 2.3771004699	 0.126605
+H	-4.2243319499	 1.1490954523	 2.2041494422	 0.128888
+H	-4.6674734364	 0.1310665963	 0.8277806941	 0.118409
+H	-1.8305990851	 0.2465609103	 2.0896980538	 0.099352
+H	-2.7934892018	 1.2715425241	-0.6730286911	 0.111781
+H	-0.3502568926	-1.6955594731	 0.9975116379	 0.114007
+H	-0.8512488125	-3.1312489033	-0.9673733796	 0.120543
+H	-0.7216466574	-1.7366303859	-2.0535017279	 0.125324
+H	 0.7094210464	-2.3095585017	-1.1796795846	 0.145403
+H	-2.9018785348	-1.3962498236	-0.3307902619	 0.096121
+19
+0 2954	2.7045017	1.3890505	1.2570241	3.5511	75.83	-0.23408	-0.00733	0.22675	1090.7273	0.157203	-422.565326	-422.557065	-422.556121	-422.597632	32.231
+C	-2.6939216325	-1.6359530294	-1.5496534197	-0.442468
+C	-1.6121596688	-0.6712465261	-1.0803336738	 0.037848
+C	-1.9726981878	 0.4616684362	-0.0609593993	-0.094718
+C	-0.6552409588	 1.2608489614	-0.0308763532	-0.348164
+C	 0.3155490605	 0.0539487321	 0.0657264967	 0.426063
+O	 1.5154037466	 0.0645271876	 0.1030290676	-0.334508
+C	-0.649570754	-1.1242265443	 0.0901369768	-0.15721
+C	-1.7016213278	-0.5550171732	 1.0956632536	 0.143973
+O	-2.7053786169	-1.4898198912	 1.4081937102	-0.438352
+H	-3.2633772836	-2.0558340933	-0.7226809293	 0.14527
+H	-3.3844601908	-1.1166133885	-2.2247745274	 0.11027
+H	-2.244950448	-2.4599597608	-2.1150311242	 0.116975
+H	-1.0746039588	-0.3013565227	-1.9620760432	 0.075815
+H	-2.9083897089	 1.0199059508	-0.1231765013	 0.064073
+H	-0.4723067514	 1.849129436	-0.9348472538	 0.128592
+H	-0.5430281743	 1.9211697925	 0.8354057499	 0.122608
+H	-0.2291645328	-2.1232932911	 0.1817739375	 0.085193
+H	-1.2917891615	-0.1178966388	 2.0186385743	 0.072915
+H	-3.3998596504	-1.0280946373	 1.8899945885	 0.285826
+19
+0 2955	2.6445038	1.4325756	1.2217276	4.6509	75.5	-0.25638	0.01931	0.27569	1110.2233	0.15745	-422.571303	-422.562852	-422.561908	-422.604445	31.677
+C	-2.8307645684	-1.4255900664	-1.5831313692	-0.455665
+C	-1.6517083358	-0.602715292	-1.0803147224	 0.042005
+C	-1.8124966426	 0.4675712506	 0.0328094146	 0.048304
+O	-0.4921042868	 1.0982368703	-0.0105030276	-0.246157
+C	 0.3447309547	-0.0014044707	-0.0402250127	 0.446405
+O	 1.5351849185	 0.0649441784	-0.0818269347	-0.353626
+C	-0.6352512919	-1.1656332307	-0.0032193889	-0.227853
+C	-1.5727614475	-0.6007157827	 1.1384238347	 0.042868
+C	-2.6808760026	-1.4652830442	 1.7260315986	-0.455646
+H	-3.5108304776	-1.7780356098	-0.8100699149	 0.128634
+H	-3.4187464513	-0.8199916054	-2.2815770513	 0.128236
+H	-2.4698660986	-2.2991272896	-2.1362392958	 0.130736
+H	-1.1429507926	-0.1880884973	-1.956907313	 0.100227
+H	-2.5814639027	 1.2385478464	 0.0583586911	 0.090605
+H	-0.2124168557	-2.1674705799	-0.0151676493	 0.092414
+H	-1.0160832541	-0.1649980986	 1.9747549288	 0.100547
+H	-2.2517556988	-2.1327927362	 2.4806419015	 0.1311
+H	-3.4214860838	-0.8370978779	 2.2336348258	 0.126914
+H	-3.2049956225	-2.0918677944	 1.0070498746	 0.129953
+19
+0 2956	3.0205997	1.2315152	1.0546042	2.5718	75.34	-0.24101	-0.01801	0.223	1184.91	0.155859	-422.580034	-422.571264	-422.57032	-422.613187	33.478
+C	-3.3069166041	-1.476266524	-0.7054031785	-0.49145
+C	-2.2338732835	-0.7125420787	 0.0312422304	 0.278515
+C	-0.8173886061	-1.2620309222	 0.053041675	-0.392076
+C	 0.1176506869	-0.0491428877	 0.1936602607	 0.383227
+O	 1.2847762144	-0.0969988352	 0.479067481	-0.30409
+C	-0.6823051582	 1.2332614956	-0.0899936264	-0.340715
+C	-2.1353068461	 0.8173138157	-0.0262121578	-0.1169
+C	-2.6027608544	 0.1426370349	 1.2304740475	 0.055084
+O	-3.949632391	 0.3403533865	 1.5466215268	-0.425387
+H	-3.4293149759	-2.4868229161	-0.2962439845	 0.11326
+H	-4.2690829563	-0.9640928605	-0.6296119484	 0.131977
+H	-3.0581978244	-1.5823099462	-1.7674790278	 0.117983
+H	-0.6140526017	-1.9846302374	 0.8505365581	 0.125235
+H	-0.5774307845	-1.762284823	-0.8954437305	 0.128774
+H	-0.3925386334	 2.0174200708	 0.6165267404	 0.132373
+H	-0.4099537831	 1.5876849507	-1.0926465472	 0.131544
+H	-2.8842474705	 1.3790866205	-0.5728881424	 0.098921
+H	-1.9293165542	 0.138251676	 2.0921131059	 0.084908
+H	-4.2699049438	-0.4464532296	 2.0010792677	 0.288817
+19
+0 2957	3.0704681	1.2277951	1.0595528	2.4643	75.52	-0.23922	-0.01957	0.21964999999999998	1189.6347	0.155708	-422.580921	-422.572079	-422.571135	-422.614157	33.63
+C	-4.0533772698	 0.0324397793	-1.76401823	-0.41466
+C	-2.6102908003	 0.0139186623	-1.3108140331	-0.045747
+C	-2.2029711952	 0.7780037514	-0.0595997889	-0.144096
+C	-0.7726851041	 1.267108448	 0.0224692154	-0.338587
+C	 0.0958196565	 0.0119431586	-0.1778789282	 0.382288
+O	 1.2714405112	 0.0119921163	-0.4300331327	-0.303399
+C	-0.778646464	-1.2397764519	-0.0022538288	-0.394783
+C	-2.2128748563	-0.7485117768	-0.0782955851	 0.393475
+O	-3.2098733472	-1.4987652476	 0.5437647309	-0.469553
+H	-4.7328328522	-0.0090708972	-0.910051851	 0.129327
+H	-4.2694755306	 0.940676966	-2.3363947169	 0.114943
+H	-4.2751249884	-0.8290650795	-2.4023618881	 0.122792
+H	-1.8849190226	 0.0122732181	-2.1242986639	 0.086376
+H	-2.9869649256	 1.308815891	 0.4694387696	 0.088793
+H	-0.4978046202	 2.0280098784	-0.715476125	 0.130743
+H	-0.5404472746	 1.6841739891	 1.0113859214	 0.127465
+H	-0.5111200056	-2.004540604	-0.7370826642	 0.134449
+H	-0.5715401598	-1.6626954982	 0.9913962872	 0.119073
+H	-3.0731558513	-1.4541124833	 1.4966425315	 0.2811
+19
+0 2958	3.0868007	1.2756174	1.0821326	4.3823	75.87	-0.26177	0.01425	0.27602	1180.7311	0.156237	-422.598584	-422.589858	-422.588913	-422.631669	32.834
+C	-3.9151029753	 0.0139897932	-2.0049449275	-0.424453
+C	-2.5091340859	 0.011460885	-1.4470077879	-0.072185
+C	-2.1935288758	 0.7799260533	-0.1694770553	-0.129594
+C	-0.7719121721	 1.2453993544	 0.0344615276	-0.382806
+C	 0.0593874978	-0.0419742164	-0.0188237994	 0.405688
+O	 1.2486749248	-0.1548862686	 0.0151401762	-0.329721
+O	-0.7723267148	-1.1203272584	-0.1271628337	-0.248657
+C	-2.1435420713	-0.7293830748	-0.1863956722	 0.409564
+C	-3.0278452473	-1.6766161515	 0.570838845	-0.471466
+H	-4.6684829634	 0.060950571	-1.2129881788	 0.119169
+H	-4.0699167847	 0.8830910052	-2.6531104928	 0.126712
+H	-4.109983767	-0.8854429329	-2.5983744033	 0.127871
+H	-1.7253231098	 0.0141513084	-2.2024165906	 0.097128
+H	-3.0063511597	 1.2954033996	 0.3294888823	 0.096495
+H	-0.3996725274	 1.9416842147	-0.7227533267	 0.141457
+H	-0.6182425315	 1.7170689843	 1.0106393953	 0.14081
+H	-2.7254863832	-1.727529768	 1.6214702212	 0.131645
+H	-4.0706591607	-1.3544325591	 0.5292249151	 0.125284
+H	-2.9647089927	-2.6853266496	 0.1503548554	 0.137057
+19
+0 2959	2.4383458	1.5180854	1.2368382	4.2616	75.02	-0.26462	0.01169	0.27631	1100.6583	0.156483	-422.594805	-422.586111	-422.585167	-422.627913	32.626
+C	-1.5220356125	 0.3530573794	 2.5612563218	-0.429562
+C	-2.3920700915	 0.2567921873	 1.3274605467	-0.089824
+C	-1.9883831793	 0.8061413675	-0.0163832424	 0.038299
+O	-0.6250189597	 1.1344590479	-0.2008034254	-0.214417
+C	 0.1557420506	 0.0100503776	-0.1983418755	 0.428709
+O	 1.3430217278	 0.0595548527	-0.3202903108	-0.331515
+C	-0.7301074405	-1.223740859	-0.0016530309	-0.445257
+C	-2.1412902847	-0.6872003872	 0.1527279835	 0.282388
+C	-3.2865809347	-1.4671145865	-0.44826481	-0.483262
+H	-1.731074307	-0.4717607244	 3.2506274118	 0.123178
+H	-0.4545894345	 0.3321126495	 2.3303859266	 0.141194
+H	-1.7173145661	 1.2901271592	 3.0924382245	 0.129885
+H	-3.4529785547	 0.3872074565	 1.5313099548	 0.09183
+H	-2.642364175	 1.4282708675	-0.6158144538	 0.109177
+H	-0.6359381524	-1.8642909527	-0.8850188956	 0.13894
+H	-0.3534097363	-1.7976784713	 0.8501678108	 0.141989
+H	-3.4510212834	-2.4089492006	 0.0876177273	 0.1259
+H	-4.2197668428	-0.8967993749	-0.4041184101	 0.120311
+H	-3.0929765432	-1.7109456985	-1.4992964034	 0.122037
+19
+0 2960	2.500537	1.7429889	1.2856236	2.2266	75.03	-0.23344	-0.01513	0.21831	1034.965	0.157178	-422.576495	-422.568117	-422.567172	-422.609071	32.291
+C	-0.0685393354	-2.5516070693	 0.0001071882	-0.500715
+C	-0.6991497779	-1.1838378465	-0.022677919	 0.205094
+C	-1.8081217728	-0.7358832797	-1.0564112566	-0.266205
+C	-2.0667814675	 0.3989120088	-0.0281769731	-0.049259
+C	-1.6892676669	-0.636381107	 1.0677926794	-0.281187
+C	-0.7732831966	 1.2196670703	-0.1101666862	 0.058843
+O	-0.6816478581	 2.0125541272	-1.2743517334	-0.449797
+C	 0.2080864554	 0.0217673595	-0.1662217535	 0.373894
+O	 1.3913377588	 0.0782422027	-0.3865912065	-0.358679
+H	 0.5975653393	-2.6593115603	 0.8625616216	 0.12875
+H	-0.8255794312	-3.3399496612	 0.0527351315	 0.114351
+H	 0.5352017093	-2.712185342	-0.8986933956	 0.134125
+H	-1.4963037092	-0.4515437476	-2.0633972434	 0.117677
+H	-2.6191324871	-1.4668603665	-1.0945953604	 0.105536
+H	-3.0037608334	 0.9521361029	-0.0008605383	 0.079454
+H	-1.2716748726	-0.2746056101	 2.0128514247	 0.101954
+H	-2.4945342193	-1.3484167309	 1.2621429387	 0.110585
+H	-0.6137888707	 1.8226982617	 0.7978490924	 0.081975
+H	 0.258973926	 2.114192038	-1.4672774806	 0.293605
+19
+0 2961	2.4885208	1.74745	1.3096597	2.5908	75.1	-0.22699	-0.01609	0.2109	1042.754	0.156086	-422.566911	-422.55832	-422.557376	-422.599746	32.525
+C	-0.8460394728	 2.0733296935	 1.2452664669	-0.414177
+C	-1.0475962279	 1.1977948737	 0.0097353258	-0.099676
+C	-2.2861478536	 0.2769331318	 0.045117278	 0.065901
+C	-2.052494677	-0.7397157918	-1.0896114758	-0.290983
+C	-0.9624342139	-1.1883930624	-0.0778270387	 0.293873
+C	-0.3794700685	-2.5609652365	 0.0446706351	-0.504491
+O	-1.8656164767	-0.7498359584	 1.0069353238	-0.330216
+C	-0.0266256182	 0.0373036712	-0.0878352979	 0.417373
+O	 1.172559443	 0.0743935751	-0.1157582024	-0.339636
+H	-0.984209084	 1.48154607	 2.1541869284	 0.136979
+H	 0.1670570106	 2.4853745007	 1.2553758499	 0.136244
+H	-1.5558654715	 2.9064099418	 1.2595694291	 0.114225
+H	-1.0025602387	 1.8046421077	-0.9025434069	 0.094921
+H	-3.2595523683	 0.7142553139	 0.2652541692	 0.087263
+H	-2.8510939255	-1.4801711746	-1.1590469865	 0.117818
+H	-1.7510658565	-0.3788751608	-2.0770505872	 0.106273
+H	 0.2226487895	-2.6353925043	 0.9549658021	 0.143543
+H	-1.1629097802	-3.3223648979	 0.0750425089	 0.127124
+H	 0.2780935201	-2.7597952427	-0.8070150018	 0.137642
+19
+0 2962	2.4842919	1.7468972	1.2836866	2.5797	75.09	-0.24412	-0.0162	0.22792	1036.7752	0.157488	-422.581161	-422.573023	-422.572079	-422.613348	31.993
+C	-0.7319684328	 2.2116220688	-1.2677620013	-0.420891
+C	-1.0371187902	 1.3156618775	-0.0670448051	-0.08524
+C	-2.3753184628	 0.5287937069	-0.0709469835	-0.045033
+C	-2.0826221699	-0.6711000182	-1.0192610786	-0.296427
+C	-1.0975678274	-1.0736297427	 0.1365128183	 0.340529
+O	-0.5306151831	-2.3164338204	 0.2788568107	-0.486224
+C	-2.1702514045	-0.465926935	 1.1074331769	-0.298062
+C	-0.1259574119	 0.0855051547	 0.0535436576	 0.374487
+O	 1.0764210844	-0.0135346535	 0.0653540255	-0.370781
+H	-0.8617594928	 1.6813847428	-2.2160002882	 0.123918
+H	-1.3915120786	 3.0847093376	-1.2775013665	 0.11998
+H	 0.3024616531	 2.5639019462	-1.2218849371	 0.139214
+H	-0.9452808595	 1.9078286129	 0.8529313123	 0.100708
+H	-3.2911700537	 1.1087814403	-0.1641054164	 0.076478
+H	-2.9172586649	-1.372168753	-1.0817702409	 0.115359
+H	-1.6718884565	-0.4805952035	-2.0139335536	 0.105297
+H	 0.4294533581	-2.1740877012	 0.278817477	 0.290838
+H	-3.0106814723	-1.1502363101	 1.2400950757	 0.114366
+H	-1.8366512848	-0.0730816599	 2.0724590072	 0.101483
+19
+0 2963	3.1359413	1.1313185	1.0205953	3.1149	76.37	-0.24629	-0.02313	0.22316	1224.4944	0.154768	-422.534662	-422.525575	-422.52463	-422.568234	33.999
+C	-0.1748259946	 0.1002060698	 0.028029612	-0.470316
+C	 1.3542561439	 0.0479915474	-0.0000284772	 0.201179
+C	 2.0823376481	-0.6123641103	-1.218239586	-0.309653
+C	 2.8558820618	 0.6874836873	-1.4597450989	-0.047419
+C	 1.9059833557	 1.8058362745	-1.7334706468	 0.08555
+O	 2.5340187328	 2.998798776	-2.1004631378	-0.431832
+C	 2.1129684285	 1.3653210042	-0.3016283818	-0.143418
+C	 1.8598912839	-0.4933447272	 1.3256600463	 0.124645
+O	 2.6736463663	-1.3677448544	 1.4727973093	-0.248184
+H	-0.5338782408	 0.6535782273	 0.9037108483	 0.119592
+H	-0.5705671929	 0.5954894861	-0.8622570223	 0.12482
+H	-0.6024335854	-0.907574877	 0.0695853484	 0.128314
+H	 2.7089018082	-1.4419965154	-0.8885461565	 0.13744
+H	 1.4351500079	-0.9403139565	-2.0378584674	 0.094851
+H	 3.899660472	 0.7751803781	-1.7322059254	 0.102525
+H	 0.9635015822	 1.6064288396	-2.2490695538	 0.080836
+H	 2.0171162401	 3.7305564001	-1.7474557527	 0.288502
+H	 2.4898447586	 2.0665510347	 0.4352986384	 0.089078
+H	 1.4102473135	 0.0190610159	 2.2094509639	 0.073489
+19
+0 2964	3.2011536	1.12457	0.9973613	2.607	76.72	-0.24892	-0.03813	0.21079	1255.5187	0.155165	-422.541731	-422.532835	-422.531891	-422.575077	33.63
+C	 2.3322641697	 1.5472413168	 0.1221064282	-0.421372
+C	 1.5710730939	 0.248645485	 0.2890688998	-0.018049
+C	 1.7803862651	-0.8306490265	-0.7310050871	-0.047379
+C	 0.8326787625	-2.0067454086	-0.4631170125	-0.314136
+C	 1.4907803561	-2.206156926	 0.9583068385	 0.325614
+O	 2.2318266453	-3.3899986775	 1.0358705172	-0.483874
+C	 0.574193687	-2.1096453354	 2.15565043	 0.109369
+O	 0.5174582963	-2.9851531782	 2.9884479496	-0.279025
+C	 2.3761318693	-0.971461143	 0.6713226045	-0.115543
+H	 2.4645579197	 2.05688456	 1.0822902745	 0.122417
+H	 3.3271618627	 1.3694394942	-0.2995666333	 0.121134
+H	 1.8021800773	 2.2296425654	-0.5506643366	 0.122004
+H	 0.5693505049	 0.3760719594	 0.6977729611	 0.076387
+H	 2.2888364435	-0.6388690532	-1.6680794322	 0.09012
+H	-0.2404933105	-1.790384209	-0.5123651526	 0.095129
+H	 1.0542664771	-2.8981936987	-1.0507955901	 0.132548
+H	 1.9207336348	-3.8375435891	 1.8395468817	 0.290999
+H	-0.046120107	-1.196889197	 2.2393256599	 0.096558
+H	 3.4068151021	-0.9056086184	 0.9991563694	 0.0971
+19
+0 2965	3.5306776	1.0544548	1.0334457	2.8898	76.5	-0.23631	-0.03077	0.20554	1260.0371	0.153826	-422.52821	-422.518904	-422.51796	-422.562335	34.069
+C	-0.0186695913	 0.0987175501	-0.136692569	-0.425686
+C	 1.4905152155	 0.0871945767	-0.0176181427	-0.051011
+C	 2.2491192295	-0.8926120697	-0.8510417511	 0.088294
+O	 3.6581665342	-0.6708067504	-0.7493550074	-0.334916
+C	 3.6362983699	-1.0186098125	 0.6749624595	 0.28868
+C	 4.3150070176	-0.0111062728	 1.5764589824	-0.452798
+C	 4.2338054752	-2.4177948599	 0.8062226818	 0.140313
+O	 4.7822897616	-2.8355314065	 1.7916441988	-0.252049
+C	 2.1018821681	-1.1422501164	 0.6353362914	-0.173906
+H	-0.4875800637	 0.4286011906	 0.7960791439	 0.127612
+H	-0.3421827394	 0.7739768761	-0.9353825638	 0.127372
+H	-0.4070252613	-0.8995253881	-0.3661818422	 0.119181
+H	 1.9561592188	 1.0550134329	 0.1537288435	 0.095231
+H	 1.8749755542	-1.4076942976	-1.7284548151	 0.107071
+H	 4.3617155929	-0.4091587946	 2.5931938765	 0.144098
+H	 5.3400653414	 0.1650988461	 1.2364042001	 0.134964
+H	 3.7815964099	 0.9412469513	 1.5819024393	 0.120725
+H	 4.1009012995	-3.0346316966	-0.1094721608	 0.08944
+H	 1.5156718473	-1.8669615185	 1.185155155	 0.107385
+19
+0 2966	3.4284028	1.1676927	1.0084175	2.5166	78.1	-0.20935	0.02049	0.22984000000000002	1231.9837	0.155797	-422.558148	-422.549284	-422.54834	-422.590965	34.315
+C	 1.316729044	 0.8633147177	 0.2018154605	-0.486651
+C	-0.0790047797	 0.327830638	 0.2423090146	 0.318723
+C	-1.2141311491	 0.9965899893	 0.0089854471	-0.252962
+C	-2.4209812694	 0.1558779952	 0.2209396532	 0.41989
+O	-3.5267328867	 0.3695685786	-0.5857362842	-0.484676
+C	-2.6282897904	-0.3566233372	 1.6254745873	 0.014238
+O	-3.9650768565	-0.692695296	 1.8908073518	-0.44069
+C	-1.8780484629	-1.2204634762	 0.6283250221	-0.19678
+C	-0.3583951439	-1.1267109341	 0.6006886476	-0.327737
+H	 1.8009598864	 0.7960800173	 1.1845439865	 0.124575
+H	 1.9415207883	 0.2846455921	-0.4910839023	 0.124151
+H	 1.337808928	 1.9100561464	-0.1127980882	 0.126142
+H	-1.2892607504	 2.0416394917	-0.269003552	 0.094323
+H	-4.2938462634	 0.1069926561	-0.05785743	 0.290224
+H	-2.095762464	 0.1047748726	 2.4578948834	 0.087473
+H	-4.0001331033	-1.5940835686	 2.2278746262	 0.292546
+H	-2.3820286257	-2.121265261	 0.2945320263	 0.085187
+H	 0.0956783541	-1.3933723462	 1.5654261374	 0.104044
+H	 0.0810564548	-1.8067364457	-0.1421995273	 0.107978
+19
+0 2967	3.2426322	1.2216411	0.9867548	3.494	76.37	-0.24882	-0.02112	0.2277	1228.2706	0.157324	-422.583345	-422.574874	-422.57393	-422.616145	32.421
+C	-1.9491537052	-2.6396898206	-1.9106799844	-0.42206
+C	-1.597869615	-1.2886000551	-1.3275241375	-0.015096
+C	-2.3527209963	-0.7568854812	-0.1576238758	-0.060657
+C	-2.3716513854	 0.758024078	 0.0633800424	-0.252186
+C	-0.8994582993	 1.2001202563	-0.0399868728	 0.038201
+O	-0.562322086	 2.2832191948	 0.7838542101	-0.447552
+C	-0.1201784875	-0.0636034858	 0.3785785538	 0.388995
+O	 0.9113999224	 0.0030420427	 1.008892197	-0.356887
+C	-0.9151629576	-1.2642201252	 0.0441243136	-0.164212
+H	-2.3091535011	-3.3233139174	-1.1352166023	 0.121894
+H	-2.7387140208	-2.5423637944	-2.6633992115	 0.127071
+H	-1.0814395726	-3.1035483025	-2.3905975099	 0.129258
+H	-1.2380454946	-0.5682314915	-2.0578371288	 0.09813
+H	-3.1791290053	-1.3460720774	 0.225591838	 0.097465
+H	-3.0264750328	 1.2779016162	-0.6422529844	 0.108662
+H	-2.7175739688	 0.9860754612	 1.0766564804	 0.123116
+H	-0.6442753518	 1.4272350007	-1.0897675788	 0.089722
+H	 0.2816727177	 2.0349697777	 1.1939420118	 0.289307
+H	-0.6723111601	-2.2049811965	 0.5221020292	 0.106829
+19
+0 2968	3.1879497	1.2729031	0.9926646	2.3531	76.95	-0.2329	-0.01911	0.21379	1231.4318	0.155841	-422.568085	-422.559226	-422.558282	-422.601601	32.848
+C	-2.334439347	 2.7559894024	-1.5668301857	-0.420096
+C	-1.8018222126	 1.4001586682	-1.1631094139	-0.061364
+C	-2.3304921181	 0.7060484585	 0.0429358854	 0.095881
+O	-2.2489847171	-0.6973383208	 0.0866298562	-0.275468
+C	-0.8836656093	-1.112802435	 0.0107056093	 0.007596
+C	-0.5894922178	-2.1856668433	 1.0481011965	-0.394159
+C	-0.0301559524	 0.157116214	 0.2173199474	 0.388046
+O	 1.1497984382	 0.1571198077	 0.4672035159	-0.333869
+C	-0.9498741912	 1.3212972293	 0.1225598281	-0.210955
+H	-2.6823270996	 3.3207658934	-0.6956799925	 0.121368
+H	-1.5645861146	 3.3543344782	-2.0648282148	 0.131117
+H	-3.1791698752	 2.6495360985	-2.2555398215	 0.129563
+H	-1.4879779439	 0.7623400354	-1.9853412501	 0.103974
+H	-3.1845742297	 1.093470165	 0.5874493505	 0.11077
+H	-0.6715885848	-1.5060286861	-0.9962642591	 0.104849
+H	-1.1828683344	-3.0824641277	 0.8536926159	 0.125411
+H	 0.4729409776	-2.440168598	 1.0097811961	 0.139306
+H	-0.8261060564	-1.8207624565	 2.0514644355	 0.125905
+H	-0.7034249918	 2.2357423469	 0.6465370308	 0.112126
+19
+0 2969	3.1474134	1.2220531	0.9717312	2.084	76.2	-0.2348	-0.01087	0.22393000000000002	1232.156	0.156814	-422.579767	-422.571106	-422.570161	-422.612862	32.862
+C	-0.4647937014	 2.3449826971	 0.9085734105	-0.403147
+C	-0.8974323252	 1.1762233285	 0.0271778606	-0.107445
+C	-2.3582945237	 0.7016980243	 0.2007431892	-0.245634
+C	-2.3492052645	-0.8039473027	-0.0627765116	-0.069502
+C	-1.7058918909	-1.278947368	-1.3086809155	 0.094517
+O	-2.1481177992	-2.511468293	-1.7802977961	-0.424974
+C	-0.8983966389	-1.2857235486	 0.0010218437	-0.207027
+C	-0.0488449455	-0.0918854972	 0.2647413316	 0.415839
+O	 1.0981654721	-0.0968638666	 0.6442329709	-0.344412
+H	-0.6605696597	 2.1295160519	 1.9642755606	 0.120203
+H	 0.608567579	 2.5194388853	 0.8001749696	 0.137946
+H	-1.0001244413	 3.2617003122	 0.6440471807	 0.111404
+H	-0.7279951621	 1.4532809728	-1.024554241	 0.102142
+H	-2.6777775687	 0.8797763272	 1.2340838208	 0.110128
+H	-3.0577762576	 1.2339661203	-0.4521318602	 0.106617
+H	-3.1399616312	-1.4238178361	 0.3435032307	 0.107532
+H	-1.4320537944	-0.5590209124	-2.0804795893	 0.094952
+H	-1.4116698072	-2.9473410344	-2.2226302157	 0.292947
+H	-0.6049788494	-2.2506592004	 0.3939484407	 0.107913
+19
+0 2970	2.390576	1.5013241	1.0624233	2.4572	77.49	-0.24076	-0.02773	0.21303	1164.4549	0.1553	-422.540941	-422.53177	-422.530826	-422.57456	33.903
+C	 0.9728217598	-0.6947595293	-0.7436050784	-0.433552
+C	 0.8922891802	 0.115062463	 0.5308999651	-0.045783
+C	 1.7468964833	 1.3164530908	 0.705438887	-0.10263
+C	 1.3631272734	 2.0886004129	 1.973393478	-0.281179
+C	 1.5893870995	 0.7994110317	 2.8320323337	 0.078993
+O	 2.5530642314	 0.900600012	 3.85388683	-0.43081
+C	 2.0312306899	 0.0468120911	 1.5585369052	 0.187874
+C	 3.1621654138	-0.8868776095	 1.4837178331	 0.03777
+O	 3.7357460083	-1.2289585889	 0.470649359	-0.280054
+H	 0.6271059011	-1.7198692701	-0.5778119994	 0.123869
+H	 0.3341266889	-0.2451318794	-1.5113099752	 0.118219
+H	 1.9970765347	-0.7469268886	-1.1150354765	 0.156883
+H	-0.1031152186	 0.1510027503	 0.9760824449	 0.088562
+H	 2.3689702327	 1.6821049298	-0.1035090834	 0.107458
+H	 2.0942039816	 2.8543909706	 2.247700986	 0.10569
+H	 0.3647817212	 2.5377913386	 1.9864745555	 0.106754
+H	 0.6964981158	 0.3955137635	 3.3194392417	 0.09323
+H	 3.3434833032	 1.3147594742	 3.4883417917	 0.281053
+H	 3.4871943	-1.2705461627	 2.4753326323	 0.087656
+19
+0 2971	2.2991753	1.5442375	1.1244449	2.3614	77.86	-0.24328	-0.024	0.21928	1145.9358	0.15488	-422.532303	-422.523178	-422.522234	-422.565888	33.53
+C	 4.5709146085	-0.4933993603	 0.1538798491	-0.42404
+C	 3.6557092135	-0.1693455506	 1.3129569126	-0.094878
+C	 2.6833388878	 0.9454272499	 1.3127096034	 0.043974
+O	 2.1348677535	 1.1963613993	 0.0316720613	-0.291813
+C	 1.5171288938	-0.1359062368	-0.0144284133	 0.059926
+C	 0.0076625266	-0.0267848471	-0.0517974394	-0.395393
+C	 2.1516533301	-0.5065963474	 1.3290425244	 0.169525
+C	 1.5561581559	-1.275843892	 2.4216541978	 0.051567
+O	 0.5437465909	-1.9345968742	 2.3426486299	-0.277977
+H	 4.7248285957	-1.5722685645	 0.0548984343	 0.126146
+H	 4.1657124358	-0.1080838538	-0.783808417	 0.144715
+H	 5.5486537137	-0.0258900307	 0.3087381455	 0.126345
+H	 4.0849062368	-0.3401259749	 2.3000869454	 0.100825
+H	 2.6105641272	 1.7291994618	 2.0595620786	 0.116334
+H	 1.888562781	-0.7009019748	-0.8775808014	 0.087661
+H	-0.3623627831	 0.5573537502	 0.7947885896	 0.124053
+H	-0.2991807193	 0.467009219	-0.9786151695	 0.121247
+H	-0.4424196731	-1.0210892726	-0.0044150255	 0.143984
+H	 2.1296520046	-1.2186351205	 3.3767868744	 0.067801
+19
+0 2972	1.920292	1.7177821	1.1235521	2.3289	77.5	-0.24196	-0.02468	0.21728	1146.2797	0.155532	-422.541795	-422.532718	-422.531774	-422.575329	33.702
+C	 0.897099757	-0.4107151595	-0.7992221233	-0.41831
+C	 0.9358392675	 0.1912580266	 0.600599506	-0.042081
+C	 1.6604840659	 1.5744469099	 0.6923605889	-0.242824
+C	 2.6848041939	 0.9963503509	 1.673427514	-0.122343
+C	 2.0387678909	 0.4077880955	 2.8550705541	 0.067961
+O	 0.897036035	 1.0103851261	 3.3772932518	-0.413424
+C	 1.9813668973	-0.4082869918	 1.563041207	 0.169388
+C	 2.6491175038	-1.7124343937	 1.5031192661	 0.042714
+O	 3.5842696656	-2.0348590795	 2.2064443107	-0.286535
+H	 0.4789550078	-1.4229403846	-0.796894484	 0.119084
+H	 0.2725873914	 0.2027259338	-1.4573579175	 0.120243
+H	 1.8987622018	-0.4633591776	-1.2413125326	 0.117819
+H	-0.0726647436	 0.2055622381	 1.0260578207	 0.072503
+H	 2.1153440551	 1.8544150542	-0.2603775236	 0.105504
+H	 1.0701916988	 2.4117182286	 1.0707519704	 0.117915
+H	 3.7550654397	 1.1641891126	 1.6450199673	 0.111335
+H	 2.7206392425	-0.0328164421	 3.5808977421	 0.120607
+H	 0.400367126	 0.3432581632	 3.8629605402	 0.292535
+H	 2.2388648036	-2.4207710105	 0.7492672817	 0.06791
+19
+0 2973	2.3917608	1.5319249	1.2521813	2.9219	75.04	-0.2384	-0.00926	0.22914	1084.1594	0.157213	-422.568878	-422.560493	-422.559549	-422.60144	32.316
+C	-0.8597150222	-0.0027699448	 2.4447566003	-0.435188
+C	-1.5410375574	-0.0247952091	 1.0831200715	 0.002886
+C	-1.0411699242	 1.0300460751	 0.0342011631	-0.137517
+C	-1.9509526963	 0.724608212	-1.1774933223	-0.278162
+C	-1.9090169067	-0.8485128804	-1.1723690255	 0.138887
+O	-3.1703184294	-1.4775494902	-1.1003378144	-0.435525
+C	-0.9875794526	-1.0765360501	 0.0509718126	-0.172939
+C	 0.0812795036	 0.0041009541	-0.2159883366	 0.425547
+O	 1.2613199286	 0.0295168743	-0.3966475837	-0.327419
+H	-1.1257481912	-0.8899576427	 3.0284058987	 0.12354
+H	 0.2311326294	 0.0193290808	 2.3513067375	 0.1404
+H	-1.1637436812	 0.8789378464	 3.0181930268	 0.12222
+H	-2.6305471876	-0.0377301598	 1.2021202641	 0.057319
+H	-0.8460000132	 2.0692820489	 0.2938831005	 0.083483
+H	-2.9753017117	 1.0778820221	-1.0215530749	 0.106224
+H	-1.5823776696	 1.1561631641	-2.1113662781	 0.118174
+H	-1.4563005923	-1.2460031457	-2.0839057922	 0.103633
+H	-3.6220459995	-1.1730830855	-0.3062856104	 0.278451
+H	-0.7427584564	-2.1025306597	 0.3181732831	 0.085988
+19
+0 2974	2.4764153	1.5966825	1.2756412	2.8084	75.64	-0.2262	-0.01672	0.20948	1068.2992	0.156652	-422.548012	-422.539609	-422.538665	-422.580567	32.152
+C	-3.1845519496	 0.0988129237	 1.1039232029	-0.441246
+C	-1.6684435286	 0.1011806879	 0.9585520041	 0.017212
+C	-0.9950685872	-1.0346587886	 0.1257727469	-0.040055
+O	-1.5674477284	-0.867095578	-1.180690467	-0.2966
+C	-1.3983428766	 0.5615381047	-1.4403135887	 0.154893
+C	-2.6607302577	 1.1886185745	-2.0081371274	-0.425418
+C	-0.8813825714	 1.0211969155	-0.0575170424	-0.232694
+C	 0.2114257779	-0.0674280989	 0.0979417433	 0.436841
+O	 1.3914368707	-0.1046567553	 0.2628734049	-0.316343
+H	-3.4722668526	-0.5363695472	 1.9480170445	 0.120915
+H	-3.5734163941	 1.1028716655	 1.3006145967	 0.122087
+H	-3.6689016331	-0.2957281507	 0.2098717922	 0.142739
+H	-1.189516566	 0.1855486794	 1.9400002032	 0.097774
+H	-0.9691046012	-2.0844202706	 0.4075382954	 0.097966
+H	-0.5983243909	 0.6770115176	-2.1866186766	 0.092254
+H	-3.4751857093	 1.2422329862	-1.2854045446	 0.126107
+H	-2.4419469943	 2.2035433239	-2.3561572415	 0.119592
+H	-2.9992428093	 0.6031879418	-2.8688634673	 0.133649
+H	-0.6952902381	 2.0802892186	 0.1056053414	 0.090326
+19
+0 2975	2.474647	1.5674134	1.2849896	2.7387	74.58	-0.23338	-0.01495	0.21843	1057.9406	0.157316	-422.564003	-422.555607	-422.554662	-422.596529	32.338
+C	-2.9651050425	 1.4210161405	-1.6624999847	-0.431967
+C	-1.6507382024	 0.7000520065	-1.3575543885	 0.035627
+C	-1.751999652	-0.8583476841	-1.1378273271	-0.273282
+C	-1.0147560101	-1.0065878741	 0.2156245426	-0.195142
+C	-1.6496450912	 0.1594466738	 1.0492440713	 0.15647
+O	-3.0299849233	 0.1897213291	 1.2843784678	-0.439236
+C	-0.9633171914	 1.0936717387	-0.0200647798	-0.204587
+C	 0.1268022639	 0.0082266143	 0.0122272336	 0.434532
+O	 1.3207488988	-0.0277087483	-0.0077783486	-0.321791
+H	-3.6724282916	 1.360021479	-0.8320205605	 0.125979
+H	-2.7858963216	 2.4833043082	-1.8576079532	 0.123404
+H	-3.4380578486	 0.995976049	-2.5549656094	 0.116445
+H	-0.9602709265	 0.8988717273	-2.1843953692	 0.092666
+H	-2.7927009499	-1.2044168295	-1.0839211348	 0.095718
+H	-1.2724354688	-1.4303413535	-1.935190812	 0.120382
+H	-0.8572112951	-2.0041644118	 0.6204371691	 0.087285
+H	-1.1663131189	 0.2712610461	 2.0227745875	 0.107141
+H	-3.4842612542	-0.2649509108	 0.5689093001	 0.287209
+H	-0.7529224445	 2.1452242596	 0.1629773958	 0.083149
+19
+0 2976	2.7935493	1.463877	1.269797	2.096	77.02	-0.22291	0.00745	0.23036	1078.6189	0.157237	-422.541805	-422.533584	-422.53264	-422.574335	32.104
+C	 0.2229221759	 0.6991731631	 0.0934910058	-0.400237
+C	 1.287072023	-0.3801960817	-0.0610686098	 0.088971
+O	 1.3519740934	-1.0654238541	 1.2022809692	-0.289293
+C	 2.3840035458	-2.0074685212	 1.3386693259	 0.00799
+C	 3.4502003094	-1.5611529645	 2.3057925321	 0.107919
+O	 3.268912748	-0.3638240136	 2.9752909089	-0.420936
+C	 3.7389203583	-1.6053594615	 0.798724352	-0.17461
+C	 3.7659717886	-0.3801204648	-0.0312612041	-0.071855
+C	 2.6345972864	 0.1809003122	-0.4540699272	-0.08102
+H	 0.5333034051	 1.4417637645	 0.8351155368	 0.125203
+H	 0.0615877274	 1.2106438566	-0.8600518011	 0.11963
+H	-0.722139118	 0.2564430046	 0.4177824502	 0.127429
+H	 0.9539349422	-1.1009883473	-0.8265824921	 0.088618
+H	 2.0472761805	-3.0410191781	 1.2980342551	 0.092094
+H	 3.9487683945	-2.3080985424	 2.9163509379	 0.101907
+H	 2.4122484757	-0.026429578	 2.6750491563	 0.288955
+H	 4.3985081657	-2.4092582805	 0.4824501304	 0.095915
+H	 4.732642541	 0.0416000744	-0.2911666371	 0.099138
+H	 2.6380451171	 1.0620793024	-1.0888630192	 0.094183
+19
+0 2977	3.4772148	1.1560408	0.9959161	2.3558	76.98	-0.23178	0.00572	0.23750000000000002	1211.7707	0.157834	-422.554249	-422.545766	-422.544822	-422.587155	32.764
+O	-4.5538471308	 1.5019561251	 2.7193133812	-0.426709
+C	-3.706416588	 1.7602399173	 1.6424672423	 0.089309
+C	-2.3032258069	 1.2515743175	 1.7640907259	-0.073939
+C	-1.1425695148	 2.0754590809	 1.2081930072	-0.256554
+C	-0.6490410086	 1.5846408685	-0.1651470545	 0.094566
+O	 0.2074884577	 0.4411266125	-0.0506713315	-0.436517
+C	-1.7940130633	 1.285763782	-1.1096491034	-0.105753
+C	-2.9635369703	 0.8074576408	-0.6760643676	-0.076609
+C	-3.2528991098	 0.6064579698	 0.76309119	-0.130351
+H	-5.4479804545	 1.3929021379	 2.3780846439	 0.286613
+H	-3.840533484	 2.7285215803	 1.1567246053	 0.086258
+H	-2.1148291279	 0.6804232067	 2.6666335637	 0.099778
+H	-1.4433561323	 3.1253050282	 1.1080923229	 0.099181
+H	-0.2940858269	 2.0522830017	 1.8979106519	 0.109766
+H	-0.0054433918	 2.3587083909	-0.5961367	 0.084069
+H	-0.3619227251	-0.3199916539	 0.1052612838	 0.279854
+H	-1.6054699688	 1.3995896816	-2.1731678012	 0.093717
+H	-3.7442109128	 0.5438043419	-1.3870219484	 0.090462
+H	-3.6801664513	-0.3530545699	 1.0437101484	 0.092859
+19
+0 2978	4.1538525	0.9343337	0.8586527	1.9144	76.07	-0.2364	-0.01303	0.22337	1379.9714	0.154579	-422.538806	-422.529329	-422.528385	-422.573586	34.047
+C	 2.5847463862	 0.5962172947	-4.2887576389	-0.480023
+C	 1.3234898218	 0.6664918772	-3.4447414944	 0.366229
+O	 0.5257730514	-0.2428921674	-3.4040941407	-0.298446
+C	 1.1334781469	 1.9412496705	-2.6474258444	-0.111268
+C	 1.9595193439	 1.9221617532	-1.2988970456	-0.26173
+C	 0.6498432866	 2.022261344	-0.5183185945	-0.096482
+C	-0.1454050975	 3.2243412221	-0.9440052671	 0.140417
+O	-1.3037915627	 3.54788261	-0.2305483405	-0.443599
+C	-0.1581933338	 2.0208846626	-1.8374617764	-0.117636
+H	 3.4625368036	 0.919702778	-3.7195431026	 0.137412
+H	 2.729958903	-0.4191086137	-4.6594065614	 0.142958
+H	 2.4894892549	 1.2789008606	-5.1416047533	 0.143884
+H	 1.3467363702	 2.8056532076	-3.2892658904	 0.081846
+H	 2.4714909251	 0.9679528748	-1.1488414845	 0.117571
+H	 2.6808334868	 2.7343804902	-1.1600457204	 0.1034
+H	 0.4350444973	 1.5219298427	 0.41908738	 0.089067
+H	 0.3548742791	 4.1418789342	-1.2496587438	 0.097286
+H	-1.8040468462	 2.7404545892	-0.0708763207	 0.286105
+H	-1.0688555865	 1.4909479597	-2.0894636905	 0.103007
+19
+0 2979	3.9617348	1.0080285	0.8832362	2.176	76.29	-0.23189	-0.01739	0.21450000000000002	1359.1629	0.154063	-422.530873	-422.521484	-422.52054	-422.566673	33.632
+C	-3.4742364671	 2.313048923	 2.57044671	-0.424245
+C	-3.1734256471	 1.2139634249	 1.5749134978	-0.044169
+C	-1.9408260506	 0.3927017139	 1.7908808156	 0.08675
+O	-1.8844720413	-0.7089828167	 0.8752481403	-0.297974
+C	-1.8177643384	 0.2106722614	-0.2481395697	 0.00549
+C	-1.9658557055	 1.417530321	 0.6767479602	-0.123076
+C	-0.4895530467	 0.1692582016	-1.0045692268	 0.345911
+C	 0.4888987035	-0.9216768609	-0.641442318	-0.47375
+O	-0.2821329806	 1.0026890408	-1.8559396894	-0.302608
+H	-4.060687073	 1.9312509267	 3.4124468554	 0.125796
+H	-2.5519609257	 2.7445391345	 2.9746569084	 0.118691
+H	-4.0408094738	 3.1255427964	 2.1039175762	 0.128005
+H	-4.0390055205	 0.7005046369	 1.1592981213	 0.092695
+H	-1.3847965128	 0.3129333957	 2.7184874552	 0.104458
+H	-2.6295199403	 0.0419869389	-0.9686746133	 0.10973
+H	-1.4589120654	 2.3647242177	 0.5537303779	 0.112736
+H	 0.8050977452	-0.8073192228	 0.4006256937	 0.148924
+H	 0.005128686	-1.9021168778	-0.7025986767	 0.150084
+H	 1.3528693841	-0.875841845	-1.305208668	 0.136553
+19
+0 2980	2.2531509	1.6559133	1.2968566	2.8401	74.8	-0.23857	-0.01023	0.22834000000000002	1057.0508	0.157311	-422.569283	-422.560935	-422.559991	-422.601865	32.194
+C	-1.1662792742	 1.3715836191	-2.486481395	-0.42552
+C	-1.7669476889	 0.7784435505	-1.2148999502	-0.012079
+C	-0.9220672621	 0.9858750538	 0.0717533682	-0.139683
+C	-1.6038053405	-0.0105700057	 1.0629577353	-0.274086
+C	-1.0827663406	-1.1159239793	 0.079763237	-0.177434
+C	-1.8758483488	-0.7946001072	-1.2099356242	 0.137593
+O	-3.1938375988	-1.298943289	-1.2466966721	-0.437698
+C	 0.1069082267	-0.1486428177	-0.0915958638	 0.436113
+O	 1.2943994818	-0.2443958945	-0.1757812931	-0.327241
+H	-0.1555427688	 0.9889828883	-2.6656137607	 0.13287
+H	-1.7808944909	 1.1209415532	-3.3570527972	 0.126417
+H	-1.1012037959	 2.4628122938	-2.4241794023	 0.118572
+H	-2.7729566475	 1.1875409179	-1.0610006435	 0.074387
+H	-0.6450229509	 2.0019001494	 0.347426982	 0.084007
+H	-1.1286285456	-0.050322499	 2.0439941516	 0.123577
+H	-2.6875716898	 0.0871449669	 1.1775253861	 0.092773
+H	-0.9630064876	-2.1607196876	 0.3568718892	 0.08963
+H	-1.3897557904	-1.2292606159	-2.0879831424	 0.100221
+H	-3.6744060173	-0.9601812572	-0.484009375	 0.277581
+19
+0 2981	2.2984252	1.6541943	1.2814623	2.6801	74.76	-0.24834	-0.01421	0.23413	1072.8755	0.156506	-422.554714	-422.546266	-422.545322	-422.587501	32.057
+C	-0.5152612601	 1.1030230918	-2.5808107814	-0.423647
+C	-1.3540273857	 0.7183425233	-1.3632312102	-0.002732
+C	-0.6234197789	 0.849508697	-0.0094472005	-0.053963
+O	-1.4807946454	 0.080740353	 0.8983578636	-0.295639
+C	-1.1015213884	-1.1009704557	 0.1134542048	-0.063816
+C	-1.7376863912	-0.8097439328	-1.2638194526	 0.007687
+C	-3.2397013684	-1.080321631	-1.3043042088	-0.418021
+C	 0.2754435369	-0.4082094992	 0.0157266714	 0.453751
+O	 1.4281167725	-0.687078015	 0.1145948331	-0.319374
+H	 0.4148358712	 0.5258418468	-2.6255719724	 0.131977
+H	-1.0671156238	 0.9185991946	-3.5078683169	 0.123994
+H	-0.2472423798	 2.1647057991	-2.559705905	 0.121643
+H	-2.2626791392	 1.3286307259	-1.3289977196	 0.086317
+H	-0.3303059453	 1.8290011255	 0.3643683765	 0.10073
+H	-1.2804029899	-2.0524612942	 0.6113973174	 0.099794
+H	-1.2303912434	-1.3860294344	-2.0463831336	 0.083685
+H	-3.739598265	-0.5807553457	-0.4692797812	 0.134479
+H	-3.6777656315	-0.7048999132	-2.2353653674	 0.117478
+H	-3.4544181144	-2.1523708858	-1.2416865971	 0.115656
+19
+0 2982	2.4994208	1.8512783	1.3969691	3.0124	74.2	-0.24299	0.08089	0.32388	991.1512	0.157428	-422.516539	-422.508854	-422.50791	-422.548359	30.338
+C	 1.278376623	-0.9615386554	-0.9111789485	-0.400305
+C	 1.2154476052	-0.0588537793	 0.3171297885	-0.099173
+C	 1.7153157742	 1.3886045499	 0.0649562286	 0.0679
+C	 1.9229858009	 1.9738020337	 1.4796956874	-0.247673
+C	 3.0544273597	 0.9222620047	 1.40765767	-0.013088
+O	 3.1664560268	 1.2039321037	-0.0254163104	-0.295203
+C	 2.2814064195	-0.3915456964	 1.3926560967	 0.494893
+C	 2.1644217832	-1.339805487	 2.4985939603	-0.283459
+O	 2.9884595486	-1.6212185139	 1.3566524969	-0.280954
+H	 1.1277556717	-2.0085528673	-0.6351015916	 0.123733
+H	 0.5083837858	-0.6833007185	-1.6381641667	 0.10609
+H	 2.2584035283	-0.8789086533	-1.3875942482	 0.140429
+H	 0.2061181662	-0.0570249398	 0.743713003	 0.07566
+H	 1.2866700109	 1.9491143258	-0.7659393831	 0.082159
+H	 2.3127208648	 2.9914962138	 1.4530632635	 0.11587
+H	 1.1338400522	 1.8599779161	 2.2279227255	 0.097624
+H	 3.9923254321	 0.9730724102	 1.9593109035	 0.08762
+H	 2.7040781999	-1.1688803556	 3.4300163614	 0.113112
+H	 1.2691498871	-1.9538202715	 2.5913074831	 0.114765
+19
+0 2983	2.5725112	1.8342621	1.4241429	2.4263	74.29	-0.25862	0.08234	0.34096000000000004	973.3212	0.15868	-422.531816	-422.524468	-422.523524	-422.563252	29.914
+O	 0.5166151863	 0.1092159113	 0.7496219698	-0.455998
+C	-0.8409186431	 0.4233874302	 0.9433766834	 0.086536
+C	-1.2970947041	 0.3854872872	 2.4166576921	-0.050515
+C	-2.6434521151	 1.1641469214	 2.3316672047	-0.244585
+C	-1.7025376589	 2.3683758593	 2.0127760938	-0.10515
+C	-0.6879864314	 1.6971483735	 2.9906601566	-0.230354
+C	-1.1338374273	 1.9259990541	 0.6807418017	 0.435151
+C	-1.3152586331	 2.5333142832	-0.6338957884	-0.284492
+O	-0.0666444895	 2.6661344096	 0.0773800958	-0.302968
+H	 0.9115491805	 0.8815395847	 0.3198468973	 0.293029
+H	-1.465690115	-0.2332366627	 0.3209869791	 0.070149
+H	-1.2075587516	-0.5715191814	 2.9287957582	 0.071593
+H	-3.3742889646	 0.8630180264	 1.5739248049	 0.093438
+H	-3.1306621821	 1.2674449532	 3.3030009033	 0.105968
+H	-2.0148985324	 3.4082287736	 2.104584949	 0.068141
+H	 0.3768529304	 1.876643073	 2.8298026156	 0.109529
+H	-0.9535506343	 1.8603847842	 4.036959415	 0.099044
+H	-1.2743402249	 1.9134565559	-1.5286913492	 0.121152
+H	-1.8796606599	 3.4590217731	-0.7375000427	 0.120332
+19
+0 2984	2.4409715	1.8244069	1.3896435	2.0657	74.19	-0.23804	0.06711	0.30515000000000003	993.1819	0.15804	-422.521521	-422.513859	-422.512915	-422.553239	30.749
+O	 0.3011542174	 0.0053504486	 0.2364285907	-0.434596
+C	-0.4825159447	 0.7940578021	 1.1061360294	 0.050369
+C	-1.5526588978	 0.0327451058	 1.934848027	 0.037363
+C	-0.7543165363	-0.6296121661	 3.0788305791	-0.250659
+C	-0.6197941996	 0.8684145584	 3.4336927614	-0.005753
+O	-1.9656813346	 1.0706735822	 2.8785930003	-0.294244
+C	 0.2509656029	 1.4274325902	 2.3155399763	 0.364014
+C	 0.851859641	 2.7971908966	 2.3226436461	-0.33686
+C	 1.7440775393	 1.5769751389	 2.3851723498	-0.340232
+H	 0.829572073	-0.5966618447	 0.7712364621	 0.281819
+H	-0.960818759	 1.545823669	 0.4738051537	 0.101253
+H	-2.3697414912	-0.4530595111	 1.4027388183	 0.083886
+H	-1.4072798807	-1.1627152556	 3.7701005012	 0.116343
+H	 0.1471570988	-1.2100989161	 2.8597143312	 0.08515
+H	-0.4855873672	 1.2427399009	 4.4489686301	 0.078833
+H	 0.8327397977	 3.3649542892	 1.3978599345	 0.11882
+H	 0.7467133604	 3.4010434583	 3.2187834916	 0.112966
+H	 2.311449	 1.318822556	 1.4965223553	 0.120372
+H	 2.2467589307	 1.3548083374	 3.3214841417	 0.111158
+19
+0 2985	2.4912904	1.4730844	1.1217905	3.2643	75.43	-0.24249	-0.02113	0.22136	1130.0409	0.157087	-422.551502	-422.543314	-422.54237	-422.584476	30.914
+C	 0.8465594476	-0.787513283	-0.8203733974	-0.4243
+C	 0.9248962583	 0.0991650986	 0.4187650432	 0.00188
+C	 1.6619578651	-0.4817568168	 1.6501561104	 0.068663
+C	 3.1628213326	-0.3231905691	 1.3282697822	-0.237918
+C	 2.7230850576	 1.1443502605	 1.4985610823	 0.047469
+O	 1.7663513728	 0.700103033	 2.5078160968	-0.295635
+C	 1.8075352137	 1.3970418957	 0.264224822	-0.084206
+C	 1.0082479584	 2.6673065116	 0.3852953091	 0.140208
+O	 0.9080650849	 3.5008096521	-0.4804769737	-0.26039
+H	 0.2652393209	-1.6932847791	-0.6164077033	 0.120753
+H	 0.3586987904	-0.2598537962	-1.6456650903	 0.13413
+H	 1.8381589905	-1.096162043	-1.1663401697	 0.119934
+H	-0.0886043499	 0.3700949574	 0.7340515269	 0.090544
+H	 1.2379584521	-1.3564381923	 2.1433763124	 0.085575
+H	 3.7906293522	-0.6515120308	 2.1567441392	 0.118971
+H	 3.5548760618	-0.6617676462	 0.3667965957	 0.102805
+H	 3.3885481254	 1.9418848995	 1.8286187866	 0.092573
+H	 2.3628543788	 1.4195452548	-0.6770567938	 0.089037
+H	 0.4931244668	 2.7836632832	 1.3647551213	 0.089907
+19
+0 2986	2.4183154	1.6301562	1.2588034	1.6152	75.25	-0.24703	-0.02569	0.22134	1052.2283	0.157848	-422.56273	-422.554655	-422.553711	-422.595515	30.872
+O	-0.2244136044	-2.3809627792	-2.18039198	-0.445008
+C	 0.2016394589	-1.0451809307	-1.9725553743	 0.116108
+C	-0.8459160757	-0.0733350502	-2.5319223109	-0.029371
+C	-1.9690899924	-0.1533495544	-1.4572091978	-0.228002
+C	-0.8889829384	 0.5257477028	-0.5678924773	-0.036943
+C	-0.4307924297	 1.2656525621	-1.8583875828	-0.241762
+C	 0.1763377292	-0.6108374956	-0.465021102	-0.107743
+C	 1.4803214223	-0.1222027065	 0.1061983315	 0.123084
+O	 2.4392435762	 0.2197913404	-0.5439348406	-0.249095
+H	 0.5003833428	-2.9688003554	-1.94742349	 0.284024
+H	 1.1924304104	-0.8720972786	-2.4074127349	 0.091022
+H	-1.0508250625	-0.1521531986	-3.5989101208	 0.069087
+H	-2.8027919413	 0.5185718709	-1.6733322977	 0.098147
+H	-2.3335947456	-1.1421389267	-1.1716571707	 0.108547
+H	-1.1395859929	 1.0530980131	 0.3534452001	 0.066906
+H	-1.1000862886	 2.086755544	-2.1232112592	 0.101763
+H	 0.6117949691	 1.5841508503	-1.9322127891	 0.116824
+H	-0.2018040969	-1.424570896	 0.1651269682	 0.085139
+H	 1.5079023395	-0.0654111617	 1.2193196881	 0.077272
+19
+0 2987	2.6173384	1.6794244	1.2652353	2.1387	75.93	-0.23035	0.0003	0.23065	1045.8809	0.157707	-422.549695	-422.541607	-422.540663	-422.581866	31.7
+C	 1.1323893059	 0.6153322918	-0.8054977699	-0.478408
+C	-0.1453016905	 0.0087792693	-0.3080719961	 0.271606
+C	-0.2979392295	-1.2593558188	 0.0865189911	-0.169466
+C	-1.6670050614	-1.6599597984	 0.5884450164	 0.05245
+C	-2.7402048048	-1.2466369245	-0.4495472342	-0.254564
+C	-2.5817344055	 0.106022576	 0.2782561009	 0.054253
+O	-2.1629558292	-0.6029700148	 1.4755866733	-0.292393
+C	-1.3754106287	 0.9113508764	-0.2400833769	 0.039294
+O	-1.6570704088	 1.5396396771	-1.4891553869	-0.433294
+H	 1.478702321	 1.4047375429	-0.1255244995	 0.129888
+H	 1.9255336169	-0.1318901594	-0.8922177063	 0.118911
+H	 0.9850143619	 1.0919215549	-1.7804156583	 0.133057
+H	 0.5131551789	-1.9810672955	 0.0612087539	 0.088944
+H	-1.7089500974	-2.6464604612	 1.053372008	 0.07712
+H	-2.4901053538	-1.332823516	-1.5094354607	 0.087773
+H	-3.7149208194	-1.6927819889	-0.2459874391	 0.111969
+H	-3.4588899814	 0.7382568424	 0.4355787161	 0.082014
+H	-1.1854347035	 1.7421828135	 0.4508665854	 0.099865
+H	-1.7833953405	 0.8428445533	-2.1431765471	 0.280982
+19
+0 2988	2.533712	1.799668	1.3134675	4.2917	74.43	-0.25818	0.00982	0.268	1016.5001	0.158711	-422.593048	-422.585414	-422.58447	-422.624947	30.142
+C	-0.4223722962	-2.1814736706	 1.2307507206	-0.407469
+C	-0.8632212988	-1.2727777824	 0.075813778	-0.123413
+C	-2.3716475744	-0.9927830287	 0.0389650715	-0.025787
+C	-2.7058461336	 0.1337901328	 1.0624971053	-0.251677
+C	-2.2097628266	 1.1001534911	-0.0352299341	 0.126361
+C	-2.6483207643	 0.0517064804	-1.0806980412	-0.25781
+O	-0.7722955213	 1.1981791123	 0.0042914146	-0.239258
+C	-0.0629820691	 0.0420626563	 0.0992307998	 0.417804
+O	 1.1333343648	 0.0849698861	 0.1868811928	-0.339447
+H	-0.8714659581	-3.1736931923	 1.12592797	 0.114529
+H	 0.6644785205	-2.283586746	 1.2325496884	 0.148212
+H	-0.7267624259	-1.7733466553	 2.2000261091	 0.12158
+H	-0.5727016434	-1.7608971667	-0.8646314338	 0.11128
+H	-2.9567790404	-1.9148471724	 0.0587295789	 0.070948
+H	-3.7809269163	 0.2344645275	 1.2271741389	 0.111117
+H	-2.181117562	 0.1548156022	 2.0209015156	 0.112464
+H	-2.5699339284	 2.1271126445	-0.0853147243	 0.091663
+H	-3.7121258544	 0.1413724918	-1.3126351812	 0.109784
+H	-2.068603402	-0.0055693306	-2.0059017393	 0.109119
+19
+0 2989	2.4782716	1.7745695	1.3184132	2.3615	74.15	-0.24039	-0.02004	0.22035	1019.798	0.157898	-422.57653	-422.568661	-422.567717	-422.608957	30.565
+C	-0.2907161711	-2.1439074849	 1.2115203519	-0.406999
+C	-0.8314764887	-1.3431775953	 0.0165315894	-0.081544
+C	-2.3291255871	-1.0530163959	 0.1460034426	 0.085924
+C	-2.8048415081	 0.0060872288	-0.8671866207	-0.273211
+C	-2.3490409579	 0.9686435205	 0.2486674892	 0.087947
+C	-0.8577835826	 1.2757676246	 0.1504218197	-0.315198
+C	-0.0637088087	-0.0117183526	-0.119307748	 0.386837
+O	 1.1064144842	 0.0131883864	-0.4144421813	-0.322256
+O	-2.5144786276	-0.0956786844	 1.2304216145	-0.298938
+H	-0.7413915306	-3.1410740963	 1.241072767	 0.114384
+H	 0.7933437349	-2.2536194001	 1.1342964815	 0.137749
+H	-0.5293867556	-1.6328945103	 2.1485798656	 0.135792
+H	-0.6392000349	-1.9066490783	-0.9059489908	 0.097371
+H	-2.9263082488	-1.9579172405	 0.2901017946	 0.080014
+H	-2.3062252623	 0.0599547252	-1.8384786808	 0.106055
+H	-3.8879025258	 0.0023404862	-0.9953029157	 0.1163
+H	-2.9606107249	 1.8441135673	 0.4797919709	 0.084175
+H	-0.6230956734	 2.0034022175	-0.6342520331	 0.125735
+H	-0.502219941	 1.6974018122	 1.0981128636	 0.139863
+19
+0 2990	2.5906426	1.7433465	1.2881314	2.88	74.31	-0.24839	-0.02789	0.2205	1016.819	0.158751	-422.582756	-422.575205	-422.574261	-422.614643	30.224
+O	-0.5988329688	-2.4413116313	-0.7773707361	-0.447735
+C	-0.9692434011	-1.4042416117	 0.093160572	 0.062104
+C	-2.4651382947	-1.0774257691	-0.0132471504	-0.03118
+C	-2.8144705041	 0.0081188211	 1.0396467786	-0.232348
+C	-2.3313078718	 1.0515551468	-0.0038163686	-0.018001
+C	-2.7114620423	 0.0078402877	-1.1013068785	-0.241522
+C	-0.8003993642	 1.1954853644	 0.0737680294	-0.3157
+C	-0.1447886212	-0.1446712546	-0.2251735745	 0.36282
+O	 0.9295770943	-0.2583227699	-0.7730644441	-0.331585
+H	 0.2877557249	-2.2072657755	-1.0928793127	 0.290762
+H	-0.7478627412	-1.6806319947	 1.1425288832	 0.084993
+H	-3.0501835934	-1.9981799128	-0.0404552472	 0.080758
+H	-3.8922740259	 0.0722143534	 1.2080141871	 0.104933
+H	-2.3022942865	-0.0265236022	 2.0075820913	 0.090468
+H	-2.819888454	 2.0279555095	-0.0211063513	 0.071242
+H	-3.7675555264	 0.0763932439	-1.3713807179	 0.104306
+H	-2.1103743262	-0.0356069903	-2.0148641507	 0.108543
+H	-0.4075828248	 1.9191138335	-0.6471640018	 0.129468
+H	-0.4931252828	 1.5373717419	 1.0714706722	 0.127676
+19
+0 2991	5.0753285	0.8898878	0.8128669	3.4147	76.42	-0.23438	0.06928	0.30366	1437.252	0.155743	-422.484688	-422.476158	-422.475214	-422.518168	31.635
+C	 4.236956598	 1.3535800241	 2.4470329165	-0.424462
+C	 4.3039374189	 0.822657098	 1.0317595701	-0.040295
+C	 3.2207381681	 1.2228717353	 0.0799147012	 0.093274
+O	 3.5134415837	 0.7929543797	-1.2512492669	-0.302007
+C	 3.4684351032	-0.6045321223	-0.8258923115	 0.080716
+C	 2.3189704045	-1.3291153895	-1.4638555165	 0.080619
+C	 2.3195723467	-2.7944175833	-1.5749807619	-0.18636
+O	 2.57944997	-1.972805722	-2.7111898398	-0.230023
+C	 3.2427849792	-0.187234581	 0.6273482156	-0.150176
+H	 4.7100868189	 0.6637591213	 3.1539127384	 0.123884
+H	 4.7440093649	 2.3205249207	 2.5283069932	 0.125825
+H	 3.1989913544	 1.4938573839	 2.7685373487	 0.116693
+H	 5.3036726454	 0.7059302015	 0.6164669073	 0.091788
+H	 2.5431277254	 2.0595320843	 0.2106995485	 0.102416
+H	 4.406000057	-1.1251066251	-1.05841795	 0.088419
+H	 1.3631025924	-0.8071004024	-1.4139063252	 0.100324
+H	 3.1720094053	-3.3638012369	-1.2054418316	 0.11458
+H	 1.3727176531	-3.3319770116	-1.5858248449	 0.117949
+H	 2.5985958409	-0.6868332446	 1.3395270587	 0.096834
+19
+0 2992	4.7195821	0.8689963	0.7882843	1.8864	75.96	-0.23913	0.07003	0.30916	1437.5806	0.155972	-422.491889	-422.483166	-422.482222	-422.525781	32.154
+O	-0.8273870281	 0.6478980833	-4.0560516545	-0.443871
+C	-0.2558929787	-0.5345876123	-4.5377331323	 0.148727
+C	-0.1162728359	-1.704673704	-3.6111381856	-0.108343
+C	 0.3804247233	-2.9362537651	-4.3721854745	-0.26486
+C	 1.6430849285	-2.1301655246	-4.8476851536	-0.024014
+C	 2.9420685344	-2.6783287469	-4.3264224974	 0.091688
+C	 4.2214701223	-2.4503763081	-5.0099903399	-0.190063
+O	 3.5577579304	-3.7130984736	-5.0976617517	-0.242612
+C	 1.1258838233	-0.9059601519	-4.0776005729	-0.125543
+H	-0.6134473623	 0.7364862233	-3.121161543	 0.283566
+H	-0.5516321936	-0.6785501411	-5.575339847	 0.101104
+H	-0.6157026926	-1.7100182966	-2.6479146449	 0.082899
+H	 0.6563607823	-3.767466948	-3.7186475247	 0.113764
+H	-0.2797553309	-3.3170350831	-5.1580316583	 0.102543
+H	 1.7267597933	-1.9939008385	-5.9321230888	 0.07436
+H	 2.9693235377	-2.8548714368	-3.2483646216	 0.089656
+H	 4.2402175179	-1.8686954733	-5.9310395633	 0.113892
+H	 5.150170938	-2.4472216669	-4.440803964	 0.11438
+H	 1.7391844506	-0.1909924758	-3.5385279221	 0.082729
+19
+0 2993	4.9672121	0.8932927	0.8129153	0.3867	76.25	-0.22468	0.06862	0.2933	1423.3089	0.156181	-422.489543	-422.481093	-422.480149	-422.522825	32.1
+O	 0.5211019731	 0.6236787658	 0.3827003167	-0.424935
+C	-0.7517561666	 0.7121033532	 0.9518230914	 0.042968
+C	-1.858128481	-0.0479124658	 0.2756774086	 0.043297
+O	-3.0748208055	 0.0788408968	 1.0085954315	-0.303893
+C	-3.0816475134	 1.5303233006	 0.7740308698	 0.100943
+C	-4.2460133126	 1.9507974932	-0.0685717868	 0.027168
+C	-5.5564968938	 2.3007643225	 0.5885165696	-0.271741
+C	-4.7108756259	 3.3879539478	-0.0205698891	-0.275181
+C	-1.7311855167	 1.4443485011	 0.0653349668	-0.156593
+H	 0.9033912767	-0.2217997254	 0.6412863061	 0.29175
+H	-0.7900001946	 0.8478378741	 2.0354305574	 0.089488
+H	-1.7188856321	-0.9029535248	-0.37700571	 0.103127
+H	-3.0864653561	 2.0744402599	 1.7289559926	 0.074908
+H	-4.2983209549	 1.4508203356	-1.0313348122	 0.087119
+H	-6.4709988642	 2.0118408136	 0.0834050168	 0.115629
+H	-5.6094156272	 2.2437561995	 1.6706651167	 0.117344
+H	-5.040434219	 3.8470811252	-0.9455829247	 0.115257
+H	-4.1949434017	 4.0668827582	 0.650811583	 0.114337
+H	-1.4072509344	 2.0194249489	-0.7912216343	 0.109008
+19
+0 2994	2.4945521	1.2538586	1.206341	2.3685	76.12	-0.23419	-0.02049	0.2137	1174.2212	0.154823	-422.53652	-422.52725	-422.526306	-422.570495	34.016
+C	 0.1850586206	-1.0978239433	-3.4223897399	-0.502133
+C	-0.1343322527	-0.7457135507	-1.9993127875	 0.303248
+C	-1.046241166	 0.3899616721	-1.6125773471	 0.048829
+O	-1.7844341118	 0.8960890554	-2.687849861	-0.434057
+C	-1.3910838995	-1.001253648	-1.1451042642	-0.151183
+C	-0.540228578	-1.3730774046	 0.072265188	-0.265833
+C	 0.744970207	-1.1216909641	-0.7710953396	-0.149862
+C	 1.7052639817	-0.0501890397	-0.3339262742	 0.149601
+O	 1.5743713352	 0.6395960283	 0.6476290942	-0.252721
+H	 0.3592151637	-2.1737764012	-3.5363118838	 0.113684
+H	-0.6382988824	-0.8062729272	-4.0778408141	 0.144837
+H	 1.0853854162	-0.5760860732	-3.768638009	 0.12025
+H	-0.7208693849	 1.1407454888	-0.8891085741	 0.099894
+H	-2.657526759	 1.135240958	-2.3603876664	 0.290951
+H	-2.3206213883	-1.4680722533	-1.4504399141	 0.087981
+H	-0.6481422683	-0.7356872718	 0.9538350557	 0.120659
+H	-0.6387033556	-2.41837961	 0.3704327054	 0.10849
+H	 1.3075852698	-2.039143463	-0.9774267942	 0.092991
+H	 2.567002592	 0.1040754073	-1.025202024	 0.074377
+19
+0 2995	3.4938672	1.1745413	0.9916742	3.666	76.73	-0.24523	-0.01968	0.22555	1225.8856	0.154757	-422.536878	-422.527616	-422.526672	-422.570838	33.953
+C	 2.5038327032	-0.668475341	-1.2194798056	-0.432639
+C	 1.6245755576	-0.2900867355	-0.0458114711	-0.073404
+C	 1.6368110318	 1.1568279673	 0.4093684145	-0.107949
+C	 0.582750628	 1.3698919078	 1.5016587652	-0.257054
+C	 1.2750297542	 0.2860470282	 2.3813988226	-0.184683
+C	 1.9056171646	 0.8122400562	 3.6507547277	 0.153488
+O	 1.856603294	 1.9544055519	 4.0297581603	-0.238586
+C	 2.3104902826	 0.0792956557	 1.2447503192	 0.384577
+O	 3.6626602331	-0.111090749	 1.4695892693	-0.458411
+H	 2.7526227764	-1.7361168087	-1.2047035106	 0.111303
+H	 1.9968241745	-0.4621909714	-2.1675616968	 0.123969
+H	 3.4425549306	-0.1082131953	-1.2071337049	 0.133173
+H	 0.6781749501	-0.8305305418	 0.0054813224	 0.074477
+H	 2.0882166421	 1.9313283117	-0.1987758335	 0.094885
+H	 0.6426167342	 2.345384871	 1.986782298	 0.135925
+H	-0.4518219264	 1.1622314476	 1.2130854391	 0.096169
+H	 0.6980229673	-0.6134451008	 2.6373036128	 0.078574
+H	 2.4524177573	 0.0417548	 4.2384296136	 0.076313
+H	 3.8560260348	-1.054205464	 1.4201321876	 0.289873
+19
+0 2996	2.5447621	1.2390287	1.1099256	2.9195	76.12	-0.2439	-0.03547	0.20843	1205.1364	0.154012	-422.522412	-422.512953	-422.512009	-422.5569	33.979
+C	 1.3761131788	-0.6050952354	-1.1710719083	-0.429124
+C	 1.0381160579	 0.1710388324	 0.0843895201	-0.090291
+C	 1.8505042803	 1.3927749897	 0.3923128144	 0.046576
+O	 1.2718458063	 2.1361298622	 1.472544343	-0.305794
+C	 1.5068537209	 1.032618914	 2.3760178403	-0.005276
+C	 0.2773126171	 0.5426283083	 3.1081037924	 0.134051
+O	 0.3357840959	-0.1885075734	 4.0640321176	-0.247451
+C	 2.0470659772	 0.1464816379	 1.2336522194	 0.234181
+C	 3.1576201115	-0.8439044155	 1.4238184169	-0.500356
+H	 1.1747368387	-1.6747007686	-1.0498311011	 0.127915
+H	 0.7780750897	-0.2433098665	-2.0134490799	 0.127435
+H	 2.4296591997	-0.4958573426	-1.4472668721	 0.120776
+H	-0.0238542236	 0.2150253035	 0.3155578782	 0.089629
+H	 2.4882495263	 1.9232427559	-0.3064733082	 0.107219
+H	 2.289915627	 1.2772740242	 3.1044085199	 0.107542
+H	-0.690532977	 0.8867303079	 2.681794095	 0.0908
+H	 2.8229951846	-1.6796102224	 2.0494238116	 0.139012
+H	 3.5001010886	-1.2604609375	 0.4733988862	 0.127286
+H	 4.01899936	-0.3832344339	 1.9196442747	 0.125869
+19
+0 2997	5.1840672	0.9292926	0.8511404	2.5789	75.88	-0.23245	-0.02764	0.20481	1373.0428	0.155933	-422.553237	-422.54441	-422.543466	-422.587494	32.004
+C	-0.0796689058	-0.1137132198	 0.024090962	-0.422364
+C	 1.4255651197	-0.0655134613	-0.1137384588	-0.046277
+C	 2.1651312263	 1.2156803957	 0.246012761	-0.089996
+C	 3.5455156398	 1.427739959	-0.3501746294	-0.267349
+C	 4.2985297878	 0.1228807955	 0.0159608297	 0.029531
+O	 3.5867894978	-0.5161198376	 1.0781997492	-0.278311
+C	 2.2811616889	 0.0022869414	 1.1252902684	 0.100995
+C	 5.7301848312	 0.3217407341	 0.4831759911	 0.131075
+O	 6.4634361594	 1.1784913996	 0.0638182734	-0.241695
+H	-0.4135338676	 0.4467469215	 0.9042802111	 0.116104
+H	-0.5745579058	 0.3239041929	-0.8498877631	 0.121688
+H	-0.4357336921	-1.1437171037	 0.1330171889	 0.123086
+H	 1.8278750929	-0.6411163265	-0.9445344319	 0.087645
+H	 1.5888993644	 2.0832127105	 0.5474985276	 0.091978
+H	 3.5416014914	 1.5896691243	-1.4310292785	 0.116419
+H	 4.0383049432	 2.2895464039	 0.1091603607	 0.124732
+H	 4.3382836463	-0.551087589	-0.8558976487	 0.104017
+H	 1.8434689059	-0.0840343666	 2.1135278652	 0.10195
+H	 6.0483492061	-0.4072624036	 1.2599663424	 0.096772
+19
+0 2998	4.7520973	0.8659894	0.8238833	2.527	76.29	-0.24909	-0.02151	0.22758	1397.6169	0.157062	-422.566114	-422.557576	-422.556632	-422.599567	31.997
+O	 2.2664380071	 5.05852063	-3.1819370871	-0.434118
+C	 1.9424392789	 3.9158782585	-2.4441123734	 0.096148
+C	 2.2108853654	 3.9296576312	-0.9559905519	-0.091888
+C	 1.479404467	 2.9189471953	-0.0866859507	-0.254129
+C	 1.6337288078	 1.5570756218	-0.8236445663	-0.071562
+C	 2.9633286389	 1.6825823876	-1.6208380794	-0.256358
+C	 3.123800303	 3.1677052016	-1.901707394	-0.052585
+C	 1.6652730526	 0.3987995125	 0.1443876012	 0.149252
+O	 0.8946445154	-0.5248738983	 0.1592649147	-0.248616
+H	 1.5926684876	 5.7246970363	-3.0094258276	 0.286169
+H	 1.0872446421	 3.3539102034	-2.8232767368	 0.08384
+H	 2.5280640443	 4.8716963372	-0.5221375794	 0.089265
+H	 1.964229012	 2.8720550296	 0.8978109634	 0.105046
+H	 0.4250829333	 3.1584582122	 0.0858535424	 0.112095
+H	 0.793762521	 1.3914117192	-1.5022287832	 0.098281
+H	 3.8059200935	 1.3404871355	-1.0052024725	 0.105016
+H	 2.9476170785	 1.0603116761	-2.5210822398	 0.116899
+H	 4.1009839874	 3.5570974612	-2.1628229951	 0.099153
+H	 2.4989791042	 0.4647963291	 0.8866373752	 0.068092
+19
+0 2999	2.9143987	1.152439	0.9550999	2.0603	76.34	-0.26416	0.01133	0.27549	1282.8243	0.156447	-422.557138	-422.548411	-422.547467	-422.59122	31.934
+C	-4.7689919841	 0.7314483787	 0.2123040816	-0.425359
+C	-3.4906457643	 0.9865713661	-0.5568131589	 0.004191
+C	-3.1103058656	 2.4075585497	-0.84966679	-0.063079
+C	-1.8707681827	 2.441796692	-1.7540658339	-0.291439
+C	-1.090571898	 1.6777972687	-0.6513815943	 0.122623
+O	-0.5158680238	 0.4365826815	-1.1184129795	-0.215168
+C	 0.1789121966	-0.2574503026	-0.2097467405	 0.179849
+O	 0.359821764	 0.0575222107	 0.9353357236	-0.309122
+C	-2.3414845053	 1.5931940458	 0.208156409	-0.067203
+H	-4.948969183	 1.5188940693	 0.9519502738	 0.117195
+H	-5.6339387576	 0.7012864635	-0.458758152	 0.119912
+H	-4.7252398739	-0.2230199097	 0.7473045883	 0.123445
+H	-3.2594072769	 0.2349383079	-1.3105484593	 0.08624
+H	-3.7932293979	 3.2323584974	-0.688541334	 0.089453
+H	-1.9639582441	 1.9176054039	-2.7098091933	 0.108756
+H	-1.4654699171	 3.4395939939	-1.9319481902	 0.111115
+H	-0.2996458114	 2.2677773134	-0.1863391658	 0.106819
+H	 0.5674119929	-1.1741646218	-0.6814959274	 0.106549
+H	-2.3531790979	 1.6700682416	 1.2878585027	 0.095223
+19
+0 3000	6.6680795	0.7368024	0.7042703	3.791	77.39	-0.239	-0.022	0.217	1604.7145	0.154693	-422.52206	-422.512899	-422.511954	-422.556762	32.773
+C	-2.3627235723	 5.4076093537	-2.1887094978	-0.423666
+C	-1.9667000188	 4.302398209	-1.2340935706	-0.045301
+C	-0.5215162293	 3.9158326758	-1.1665010483	 0.093196
+O	-0.2807918649	 2.9933682385	-0.0998505463	-0.305351
+C	-1.1460824369	 2.0071896824	-0.7434710461	 0.097995
+C	-0.3419980071	 0.7885738185	-1.188985752	-0.293981
+C	 0.2869762675	 0.0616787695	-0.0179509012	 0.152301
+O	 0.1939842905	-1.1238521336	 0.1755006964	-0.240968
+C	-1.5060557414	 2.9937626291	-1.8514539131	-0.139924
+H	-1.7157545107	 5.4184558339	-3.0727845702	 0.117671
+H	-3.3933284511	 5.2808983389	-2.5363250847	 0.126119
+H	-2.2863339149	 6.3883104157	-1.7082312676	 0.126701
+H	-2.5287597728	 4.2576976956	-0.3025812137	 0.093007
+H	 0.3102450178	 4.5133973128	-1.5231224592	 0.105203
+H	-1.9651310198	 1.7103715886	-0.0754073116	 0.093305
+H	-0.9733295038	 0.0875868725	-1.7444062594	 0.119692
+H	 0.4652924696	 1.1343274076	-1.8490409691	 0.124484
+H	 0.8611937774	 0.7175460943	 0.6707161372	 0.099683
+H	-1.6440089888	 2.7475257173	-2.896494053	 0.099834
+19
+0 3001	5.7998137	0.7536856	0.7136672	1.7636	76.61	-0.23841	-0.02468	0.21373	1550.1496	0.154914	-422.527469	-422.518152	-422.517208	-422.562594	33.219
+O	-3.4322713169	 4.8507943342	 1.8635163011	-0.441908
+C	-2.7160829967	 3.983444608	 1.0323682158	 0.148452
+C	-3.1889394478	 2.568653858	 0.8756258152	-0.108321
+C	-2.3676110736	 1.8431425639	-0.1934399966	-0.259906
+C	-1.0553600453	 2.1659498552	 0.6061299405	-0.001184
+C	-0.3224821597	 0.9229727067	 1.1312504564	-0.297596
+C	 0.3338188278	 0.1697136606	-0.0022476552	 0.160785
+O	-0.0066311016	-0.9173024051	-0.3940150221	-0.238964
+C	-1.896468836	 2.8929589164	 1.6628764218	-0.124299
+H	-3.812777245	 4.342433075	 2.5877360476	 0.284442
+H	-2.33498561	 4.5397589184	 0.177789069	 0.100219
+H	-4.1650075245	 2.2671268071	 1.2407744582	 0.085818
+H	-2.5596109446	 0.7684491991	-0.2351225929	 0.124675
+H	-2.4366517342	 2.2480030981	-1.2086274804	 0.101682
+H	-0.3439464192	 2.8140297216	 0.0779195038	 0.07476
+H	 0.4566855978	 1.2379973153	 1.839313742	 0.113431
+H	-1.0163793288	 0.2529302556	 1.6479896832	 0.120766
+H	 1.170806888	 0.7178851288	-0.4960906324	 0.073724
+H	-1.7092553696	 2.8847115431	 2.7319986251	 0.083424
+19
+0 3002	2.4351473	1.6973646	1.2933166	3.0418	75.17	-0.23299	-0.01052	0.22247	1036.2262	0.156722	-422.574958	-422.56647	-422.565525	-422.607556	32.758
+C	-0.122679208	 2.5602418535	 0.0536222234	-0.506188
+C	-0.6842131074	 1.1649614577	 0.04441305	 0.181841
+C	-1.7277904892	 0.6147950884	 1.0861375191	-0.314602
+C	-2.0039982668	-0.4573942969	-0.0064286966	-0.075046
+C	-0.6719100425	-1.2300574656	-0.0223609464	-0.339222
+C	 0.276886551	-0.0112641925	 0.0053731054	 0.407379
+O	 1.4788522153	 0.0053668577	-0.0295824447	-0.340569
+C	-1.7174786398	 0.6546876382	-1.0577160035	 0.142236
+O	-2.751589635	 1.5394784189	-1.3894258678	-0.445601
+H	 0.3250023762	 2.799636159	 1.0234820186	 0.12647
+H	 0.6617453492	 2.6617281833	-0.7027876353	 0.136242
+H	-0.9039091084	 3.2965698042	-0.158797161	 0.114845
+H	-1.351865113	 0.2785322859	 2.0567998483	 0.108603
+H	-2.5551290425	 1.3092395732	 1.2552198221	 0.095611
+H	-2.9279468645	-1.034656514	-0.0321246857	 0.075475
+H	-0.5276258751	-1.8711966391	 0.8528050992	 0.127875
+H	-0.5092173992	-1.8341900119	-0.9205098282	 0.127394
+H	-1.2919505408	 0.3362665912	-2.013925184	 0.09183
+H	-3.2209228196	 1.803906659	-0.5915158628	 0.285427
+19
+0 3003	2.5266211	1.6886528	1.3008035	2.7784	75.16	-0.22812	-0.0151	0.21302	1044.9072	0.155898	-422.567547	-422.558989	-422.558044	-422.600276	32.644
+C	-2.8695696082	-1.5862848187	 1.5371422621	-0.4299
+C	-1.7420361213	-0.6273398898	 1.188964909	-0.029593
+C	-1.9996205466	 0.3021420842	-0.0238766971	 0.064442
+C	-0.7464426253	 1.1891893837	-0.1078250254	-0.349801
+C	 0.2626733313	 0.0317620956	 0.0609605991	 0.421117
+O	 1.4611550423	 0.0479940686	 0.1067081716	-0.330748
+C	-0.6956380551	-1.171949493	 0.1574262255	 0.287028
+C	-0.1289180787	-2.5561685206	 0.111623815	-0.512702
+O	-1.6329584214	-0.7995353876	-0.9188221222	-0.335171
+H	-2.5238106363	-2.3721256728	 2.2164731577	 0.122016
+H	-3.6854098183	-1.0531145672	 2.0367061409	 0.118948
+H	-3.2693884498	-2.0582934194	 0.6362912741	 0.138737
+H	-1.3312140219	-0.1473437284	 2.0846678215	 0.077519
+H	-2.9759060166	 0.7374071383	-0.2369387665	 0.086415
+H	-0.6442726217	 1.6740347155	-1.0817355643	 0.136957
+H	-0.6435907848	 1.9408905452	 0.6799571071	 0.124696
+H	 0.6307629186	-2.6680835786	 0.8910903406	 0.138976
+H	-0.9019964891	-3.3151189802	 0.2535470639	 0.12752
+H	 0.3571004028	-2.7276983845	-0.8534403627	 0.143545
+19
+0 3004	2.5189634	1.6848435	1.3064461	4.4197	74.72	-0.25671	0.01715	0.27386	1042.4021	0.157155	-422.587069	-422.578752	-422.577807	-422.619488	31.957
+C	-2.8056859336	-1.5127196984	 1.5456131921	-0.443123
+C	-1.5975029469	-0.6688744116	 1.167137799	-0.0096
+C	-1.7692677654	 0.4859701371	 0.1472005151	 0.085114
+C	-1.6894273771	-0.5439099729	-0.9959658187	-0.291122
+C	-0.659441592	-1.2012711696	-0.0023255079	 0.132331
+C	-0.123956692	-2.6041659941	-0.1113039623	-0.502155
+C	 0.3549867803	-0.0618888013	 0.0286043147	 0.445727
+O	 1.5487777054	-0.0577577498	-0.0107642404	-0.361351
+O	-0.427026853	 1.0646514306	 0.1280172562	-0.248264
+H	-3.4790380497	-0.9408900212	 2.1931092231	 0.127854
+H	-3.3858875278	-1.8549412109	 0.6848947285	 0.122917
+H	-2.4889027242	-2.3990145916	 2.1048060897	 0.131438
+H	-1.0620532817	-0.3628520943	 2.072054206	 0.092431
+H	-2.5051421007	 1.2835579842	 0.2239796262	 0.094654
+H	-2.5922764078	-1.1380630815	-1.1338798999	 0.114363
+H	-1.3159516774	-0.1853262929	-1.9578401866	 0.118897
+H	 0.5674885299	-2.8186384328	 0.7096016353	 0.136154
+H	-0.9304441515	-3.3430357272	-0.0856807713	 0.117265
+H	 0.4297513553	-2.7342481715	-1.0463381389	 0.136468
+19
+0 3005	2.4900235	1.7016508	1.3081073	2.5771	75.44	-0.24478	-0.01492	0.22986	1035.21	0.157296	-422.58017	-422.571995	-422.571051	-422.612366	32.169
+C	-2.906736559	-1.4770356154	 1.5778737123	-0.434771
+C	-1.7644560295	-0.5573580104	 1.169945828	-0.025357
+C	-1.975792027	 0.4156675553	-0.0349694514	-0.044945
+C	-1.6531097328	-0.7751700036	-0.983950143	-0.309002
+C	-0.6884772513	-1.1745479529	 0.186136314	 0.343238
+O	-0.1229840284	-2.4174177521	 0.3411099124	-0.493169
+C	 0.2811923978	-0.014427341	 0.12921193	 0.376402
+O	 1.4801264635	-0.1055546241	 0.2192737726	-0.361539
+C	-0.6416517069	 1.1986437216	-0.0438471309	-0.343626
+H	-2.5351827651	-2.2635937768	 2.2417594911	 0.134562
+H	-3.6727824366	-0.912987137	 2.1207124831	 0.117428
+H	-3.3925530368	-1.9661064473	 0.7299106775	 0.123353
+H	-1.3446999283	-0.0872348387	 2.0678159697	 0.072387
+H	-2.8949544251	 0.9885559158	-0.1411794567	 0.076478
+H	-2.4729009638	-1.4823249451	-1.0999452606	 0.118881
+H	-1.2119092949	-0.5530284707	-1.9598625629	 0.102428
+H	 0.8344711629	-2.2699613093	 0.404090507	 0.290614
+H	-0.5313430734	 1.9084089127	 0.782091941	 0.128278
+H	-0.4397531051	 1.726783699	-0.9811261732	 0.128362
+19
+0 3006	2.6059013	1.6179992	1.2735559	1.9813	76.37	-0.21958	0.01947	0.23904999999999998	1054.0608	0.155731	-422.541646	-422.532727	-422.531782	-422.574584	34.152
+C	 1.4794935223	 0.6983912999	 0.1323983645	-0.516238
+C	 0.0627591429	 0.2443169108	 0.1450484345	 0.27503
+C	-1.1026538512	 0.8812846564	-0.0282897551	-0.209482
+C	-2.1457693179	-0.2365552292	 0.0542411868	-0.100798
+C	-1.6161818115	-1.0584646211	 1.2770994497	-0.286858
+C	-0.3902836205	-1.2178570528	 0.3153276151	 0.258379
+O	 0.5523949909	-2.2437274545	 0.4056587642	-0.494403
+C	-1.4334475136	-1.3040517631	-0.8519026914	 0.14824
+O	-2.1163940897	-2.5270054787	-0.9482273884	-0.456606
+H	 1.9747799525	 0.5073033258	 1.0936274417	 0.118362
+H	 2.0600789258	 0.1571345379	-0.6243286628	 0.136389
+H	 1.5533100556	 1.7693472724	-0.0758889874	 0.126383
+H	-1.2925006561	 1.9274756752	-0.2261999231	 0.097172
+H	-3.1995500854	 0.0014043379	-0.0707153461	 0.072507
+H	-1.4544075971	-0.5156791349	 2.2113674036	 0.084498
+H	-2.1578161686	-1.9932446741	 1.4298690966	 0.108673
+H	 0.8608584895	-2.3044366806	 1.3154607721	 0.285359
+H	-1.0871762399	-0.9461157752	-1.8305062829	 0.063246
+H	-1.4472501682	-3.2216240522	-0.9675782313	 0.290146
+19
+0 3007	2.6439767	1.6038471	1.2739666	1.6519	76.47	-0.23371	0.00767	0.24138	1061.5396	0.155653	-422.534559	-422.525932	-422.524988	-422.567175	33.441
+C	 1.3974421465	 0.9326388461	 0.3034783661	-0.516677
+C	 0.0463992323	 0.31301654	 0.2145076583	 0.322611
+C	-1.1785921674	 0.8419596413	 0.085776155	-0.206629
+C	-2.0540385727	-0.3968625155	 0.0087834022	-0.042321
+O	-1.4768653588	-1.2654131942	 1.048698824	-0.347758
+C	-0.2654985017	-1.1908479555	 0.1986983503	 0.253645
+C	 0.7750104019	-2.2336155464	 0.4820505837	-0.517484
+C	-1.2646235879	-1.2666957071	-1.0322999481	 0.160616
+O	-1.7798269832	-2.5298694318	-1.2974922668	-0.44752
+H	 1.9040878321	 0.6602243497	 1.2377030838	 0.134156
+H	 2.048411903	 0.5963623629	-0.5136280759	 0.130628
+H	 1.3367707118	 2.0233387705	 0.2567105183	 0.129905
+H	-1.4892696648	 1.8737408841	 0.0055275354	 0.106697
+H	-3.140660893	-0.3263050643	 0.0306710595	 0.080332
+H	 1.0590910459	-2.2184189286	 1.5389059771	 0.134442
+H	 0.3938949102	-3.2291044226	 0.2377415974	 0.12836
+H	 1.6725364305	-2.0562359837	-0.1187927551	 0.124269
+H	-0.965381679	-0.8084668154	-1.9771721003	 0.087098
+H	-2.0573958557	-2.8819301896	-0.439580615	 0.285627
+19
+0 3008	2.2273538	1.8688668	1.7110009	2.8709	73.46	-0.24708	0.07366	0.32074	944.9312	0.158086	-422.524992	-422.517542	-422.516598	-422.556251	30.656
+C	-0.7468992868	 0.1668130958	 2.2878048584	-0.511467
+C	-0.2454107379	-0.7947184327	 1.2366528149	 0.227225
+C	-1.1837440458	-1.7165888185	 0.3650062176	-0.264352
+C	 0.0811205331	-1.8046446012	-0.5628237925	-0.151133
+C	 1.0147577819	-2.5749651779	 0.3873151057	 0.041397
+O	 2.0821746018	-1.8099010156	 0.9997590758	-0.287138
+C	 0.7872736343	-1.8698819724	 1.6474984281	 0.006243
+C	 0.2943271408	-0.3079563444	-0.1561082251	 0.155318
+O	 1.4920241339	 0.3766839825	-0.3136779299	-0.4474
+H	-1.1404567425	-0.3583967259	 3.1658322796	 0.114042
+H	 0.0622558791	 0.8234877712	 2.6253594559	 0.132801
+H	-1.5463747694	 0.8012007943	 1.8917906541	 0.118439
+H	-1.5253664627	-2.6483472084	 0.8220513254	 0.09929
+H	-2.0264315713	-1.1842649791	-0.083201186	 0.103408
+H	 0.0258257065	-2.1227957706	-1.6027748588	 0.069831
+H	 1.2055851038	-3.6378140526	 0.2885221444	 0.109223
+H	 0.7830163368	-2.3241811394	 2.6331396147	 0.105606
+H	-0.4762635335	 0.3032410968	-0.6343255822	 0.085291
+H	 2.164842858	-0.177338092	 0.1065741299	 0.293376
+19
+0 3009	2.6304746	1.7542508	1.462315	1.744	73.61	-0.25161	0.08475	0.33636	978.5961	0.157691	-422.518157	-422.510567	-422.509623	-422.549508	31.236
+C	 2.2158247694	-1.8991581044	-1.4701310223	-0.507688
+C	 0.7799684421	-1.4846582123	-1.3360502449	 0.375325
+O	 0.1027782741	-1.9772143828	-0.0939290502	-0.371809
+C	-0.8750795246	-0.91417854	-0.4203697876	 0.011442
+C	-1.5162328672	-1.4504471146	-1.7053230767	-0.043529
+C	-1.1340495247	-0.8460847547	-3.0349796795	-0.317797
+C	-0.2436747686	-1.8922937609	-2.4092998964	-0.078769
+C	 0.3433366562	-0.062857535	-0.8535813011	 0.127697
+O	 1.1080581582	 0.4264272899	 0.2124983744	-0.460245
+H	 2.817482858	-1.4736344902	-0.6629825143	 0.128979
+H	 2.3057318476	-2.9897977325	-1.4396826029	 0.131073
+H	 2.6216125733	-1.5486479683	-2.424364002	 0.128168
+H	-1.5110097512	-0.6363322409	 0.4200435294	 0.081075
+H	-2.3889045334	-2.0874341912	-1.6281271531	 0.099366
+H	-1.7221310899	-1.1872966309	-3.8819090188	 0.115334
+H	-0.8254993918	 0.1877118073	-3.1261913611	 0.122853
+H	-0.1417896592	-2.8668134107	-2.8730075413	 0.094879
+H	 0.234868664	 0.7574640379	-1.5616208228	 0.079358
+H	 1.1642999178	-0.3061145558	 0.8422160813	 0.284287
+19
+0 3010	2.2615907	1.8870501	1.5319801	0.7585	73.24	-0.2432	0.06779	0.31099	968.3389	0.15737	-422.519572	-422.511833	-422.510889	-422.551088	31.442
+C	 0.323291041	 0.694962875	-0.2947765035	-0.439812
+C	 1.5462521163	-0.2088721162	-0.3487553764	 0.018986
+C	 3.012549866	 0.3519513612	-0.5080480885	-0.109955
+C	 3.4774331832	-1.0024543075	 0.1008581126	-0.293011
+C	 2.1829259971	-0.8242805549	 0.9475885345	 0.360585
+O	 1.5086236754	-1.8654843337	 1.5799767296	-0.490087
+C	 2.4951259209	 0.4667427303	 1.7530779438	-0.048712
+O	 3.8832255853	 0.836376124	 1.8158519961	-0.258289
+C	 3.0888341011	 1.3007246262	 0.7099912988	 0.05029
+H	 0.4434181868	 1.5300132578	 0.4001693841	 0.114756
+H	 0.1088812573	 1.1124240625	-1.2846560665	 0.115991
+H	-0.5562889313	 0.1228656606	 0.0186047049	 0.128818
+H	 1.3767053802	-1.0105911301	-1.0751881757	 0.078294
+H	 3.3877883666	 0.7106512625	-1.4648016116	 0.068196
+H	 3.3729166606	-1.8234330494	-0.6091452535	 0.099876
+H	 4.4364885139	-1.0305702882	 0.6133022893	 0.114857
+H	 2.031884904	-2.15626075	 2.3346961742	 0.28319
+H	 1.8593273845	 0.8060462584	 2.5641954503	 0.102867
+H	 2.9754790011	 2.3759277314	 0.6274720173	 0.103163
+19
+0 3011	2.8502175	1.7319428	1.3615734	3.0924	73.87	-0.243	0.07815	0.32115	1001.2079	0.156352	-422.507653	-422.499812	-422.498868	-422.539316	31.307
+C	 0.9715889173	-0.5091857196	-1.0119865794	-0.429926
+C	 0.9654921229	 0.2372855037	 0.311669527	-0.018773
+C	 1.9932607929	 1.4039773543	 0.4523557299	 0.002403
+O	 3.0168303757	 0.4236244667	 0.7499542943	-0.297029
+C	 1.9445127861	-0.2992244294	 1.4235324156	 0.367579
+C	 2.2240637936	-1.744688595	 1.7146523468	-0.513232
+C	 1.5952239147	 0.6802219578	 2.5895752288	-0.019661
+O	 2.6185907426	 1.6410443463	 2.8565121234	-0.229552
+C	 1.6371794	 1.9484148504	 1.8647451005	 0.021663
+H	 0.4397789656	-1.4631643185	-0.9274315287	 0.116983
+H	 0.4707249446	 0.0767024944	-1.7900060171	 0.116299
+H	 1.9941927318	-0.7119703036	-1.3395967845	 0.1365
+H	-0.0551731284	 0.4584249349	 0.6463141569	 0.065383
+H	 2.2468294449	 2.0934685768	-0.3523908689	 0.083158
+H	 3.1133613621	-1.8335324149	 2.3465507519	 0.143017
+H	 1.3804493659	-2.1962494832	 2.2473583446	 0.121158
+H	 2.3963233319	-2.3105320275	 0.7951899194	 0.130047
+H	 0.9226628665	 0.4219148746	 3.4005667241	 0.100739
+H	 0.9985169393	 2.8078511818	 2.0348210153	 0.103245
+19
+0 3012	2.6063231	1.738386	1.4675159	2.2306	73.61	-0.24641	0.06342	0.30983	971.2439	0.157995	-422.523228	-422.515475	-422.514531	-422.554718	31.768
+O	 0.5736049413	 0.5246371671	 0.6891703657	-0.468159
+C	-0.822069929	 0.591627239	 0.8880387982	 0.126273
+C	-1.2640823115	-0.0352782334	 2.2375048	-0.070768
+C	-0.6873552214	 1.2585839301	 2.9082558262	-0.291156
+C	-1.2715638285	 1.8978219284	 1.5849915695	 0.362914
+O	-0.7856335509	 3.0747196328	 1.0131985953	-0.501607
+C	-2.7839262568	 1.7126471723	 1.82500691	-0.109205
+C	-3.5559088796	 0.6580301156	 1.0683657435	-0.317077
+C	-2.775953253	 0.2701280263	 2.3036553183	-0.031573
+H	 0.8376610033	 1.3742305394	 0.3158404183	 0.290121
+H	-1.3393414465	 0.284428625	-0.0243810782	 0.061589
+H	-0.9262736919	-1.0309108003	 2.5194709444	 0.073484
+H	-1.1348356299	 1.5711550269	 3.8555126468	 0.080078
+H	 0.4002760687	 1.2798083025	 2.9476177245	 0.111266
+H	-0.9314378675	 3.8057212044	 1.6224442484	 0.283634
+H	-3.3156422562	 2.4998198957	 2.3504630822	 0.079617
+H	-4.632416173	 0.6953106911	 1.2075798313	 0.108573
+H	-3.2717151206	 0.3368358194	 0.0743527749	 0.121996
+H	-3.3168117967	-0.0416352525	 3.1903194209	 0.09
+19
+0 3013	2.0893783	1.7480124	1.5479164	2.6719	75.69	-0.25007	0.07755	0.32762	1009.9331	0.15596	-422.494179	-422.485755	-422.484811	-422.526571	32.808
+C	 0.0400098889	-0.8527014272	 2.6838614971	-0.521725
+C	-0.383992827	-0.878398141	 1.2431178279	 0.168381
+C	-1.0997089817	-2.0093165557	 0.4370710464	-0.270725
+C	-0.9268544541	-0.8705059045	-0.6128050136	-0.212395
+C	 0.5231412078	-0.7076931374	-0.0361625192	 0.159745
+O	 1.2598243189	 0.4568487595	-0.2377191472	-0.4574
+C	-1.3579617734	 0.0708206056	 0.5171150691	 0.486811
+C	-2.546471352	 0.8286676574	 0.8722591479	-0.318144
+O	-1.3023218159	 1.4878387776	 0.5146240424	-0.326447
+H	 0.7435765606	-1.66284506	 2.9016608848	 0.125251
+H	 0.537053078	 0.0948640214	 2.9169703312	 0.134401
+H	-0.8168817143	-0.9608357105	 3.3579179731	 0.118581
+H	-0.5120931842	-2.9133848895	 0.2603029432	 0.099336
+H	-2.1234306009	-2.2446907902	 0.7343082306	 0.09961
+H	-1.2441762434	-0.8661857929	-1.654430616	 0.083316
+H	 1.1938303976	-1.5485197578	-0.2351340038	 0.079865
+H	 0.6864559641	 1.2185685885	-0.088290297	 0.304547
+H	-3.352153209	 0.9579007131	 0.1515774856	 0.124257
+H	-2.8353718697	 0.9437132038	 1.9157073175	 0.122736
+19
+0 3014	2.1197661	1.7121635	1.4580886	1.58	76.34	-0.23178	0.06616	0.29794	1035.2408	0.154623	-422.474589	-422.465755	-422.464811	-422.507448	33.806
+O	 0.3593762214	-0.0830799953	-0.0834577705	-0.430569
+C	-0.693582455	 0.5537033146	 0.5803938043	 0.091298
+C	-2.1906054215	 0.2158023247	 0.2787391715	-0.115028
+O	-2.5041391333	 1.5715172848	 0.782266497	-0.342674
+C	-1.3390229755	 1.773372454	-0.1307775733	 0.278526
+C	-0.8112957806	 3.1558883252	-0.336392671	-0.527413
+C	-2.0196773245	 0.8055992134	-1.1204993908	 0.443016
+C	-1.6751531511	 0.2647678342	-2.4606165264	-0.339677
+C	-2.9722270324	 1.0366722407	-2.2381186653	-0.373681
+H	 0.6464533986	-0.8308184849	 0.4491730455	 0.290034
+H	-0.503967895	 0.7292017419	 1.645583461	 0.079171
+H	-2.8159428647	-0.6078422578	 0.6244508508	 0.086595
+H	-0.5357211223	 3.607078872	 0.6214858333	 0.134719
+H	 0.0789504458	 3.1233949757	-0.9722617455	 0.136758
+H	-1.562495601	 3.790151156	-0.8167172161	 0.133543
+H	-0.8826400335	 0.7467775335	-3.0237822189	 0.115543
+H	-1.7380891215	-0.8071044592	-2.6178898842	 0.111901
+H	-3.0474039564	 2.0357833312	-2.6563350465	 0.113223
+H	-3.9056819275	 0.4830292553	-2.2469164149	 0.114718
+19
+0 3015	2.7826385	1.4177512	1.2631509	2.6909	76.	-0.24118	0.06749	0.30867	1091.0999	0.155659	-422.486471	-422.477881	-422.476937	-422.519101	33.098
+C	-0.2051806891	 0.0713545319	-0.0662854124	-0.440673
+C	 1.3121903553	 0.0154008462	 0.0083146703	-0.015874
+C	 2.1995041795	 1.2730847161	-0.2845463937	-0.179839
+C	 1.9118114897	 1.0750321977	-1.8119397898	-0.281
+C	 2.177309538	-0.3512731999	-1.2575951479	 0.287991
+O	 2.1374723709	-1.4911411525	-2.0312570114	-0.465508
+C	 3.3559727254	 0.2861629902	-0.4891005788	 0.482496
+C	 4.4988506435	-0.1805959126	 0.2784292054	-0.327342
+O	 4.6468627185	 0.5608643663	-0.9616824348	-0.305141
+H	-0.6162414107	 0.5363470803	 0.8361479378	 0.118185
+H	-0.5801167345	 0.6305020174	-0.9261359036	 0.124106
+H	-0.6166894867	-0.9420411759	-0.1291308926	 0.120435
+H	 1.6219159546	-0.5248389345	 0.9117715504	 0.060156
+H	 2.2184316071	 2.2082440621	 0.2686171083	 0.086868
+H	 0.9025227911	 1.2915358438	-2.1593798937	 0.09967
+H	 2.6643176328	 1.4678901488	-2.4973292681	 0.118763
+H	 2.3791966736	-2.2454652856	-1.4826477562	 0.284684
+H	 4.8185778315	 0.3517077799	 1.1730797997	 0.120503
+H	 4.8146410296	-1.2222809797	 0.225619101	 0.111521
+19
+0 3016	2.1227746	1.6921136	1.4324134	3.2408	75.75	-0.23875	0.07331	0.31206	1049.0943	0.154367	-422.468145	-422.459346	-422.458402	-422.50106	33.31
+C	 0.5071965538	 0.8748693149	-0.0593832622	-0.444252
+C	 0.9122211709	-0.5876011409	 0.0246464065	-0.001324
+C	 2.021567904	-1.2216212693	-0.8636365367	-0.086693
+O	 2.098728469	-2.3348813809	 0.1116507066	-0.3473
+C	 2.0532726363	-1.1054150066	 0.9619273431	 0.27623
+C	 2.1124458129	-1.2635169034	 2.4465098836	-0.524673
+C	 3.0786947997	-0.5015174709	-0.0202969802	 0.514251
+C	 3.9654273502	 0.6507392008	-0.1055479814	-0.310493
+O	 4.4581110396	-0.7081127863	-0.0212774029	-0.283739
+H	-0.091237453	 1.1572374567	 0.8135027691	 0.123652
+H	 1.3662082193	 1.548021401	-0.1088333501	 0.122951
+H	-0.1094376192	 1.0516885563	-0.9470597443	 0.124955
+H	 0.0520684069	-1.2596885113	 0.0796887091	 0.086505
+H	 2.0131968514	-1.4768859868	-1.9226007717	 0.097734
+H	 1.3040454217	-1.9120031374	 2.7964501242	 0.137381
+H	 3.0691489316	-1.7042170163	 2.7419014828	 0.14672
+H	 2.012393295	-0.2896883666	 2.9366164337	 0.126727
+H	 4.133767699	 1.1440906115	-1.0616922379	 0.121695
+H	 4.1539666009	 1.2657025754	 0.7733849588	 0.119673
+19
+0 3017	2.722947	1.4264003	1.2804166	0.8576	76.07	-0.24007	0.06914	0.30921	1077.2265	0.155742	-422.493369	-422.484705	-422.483761	-422.52604	33.673
+O	 0.4626801355	 0.4505401671	-0.0498074566	-0.452161
+C	-0.6690282956	 0.300618857	 0.7562905509	 0.115309
+C	-2.1173370585	 0.2263286875	 0.1573379779	-0.198615
+C	-1.7959520928	-1.2356550874	-0.2957312945	-0.292122
+C	-1.225225415	-1.1151750479	 1.1440551793	 0.266462
+O	-0.6037219934	-2.1524953056	 1.8091556681	-0.467133
+C	-2.5371315067	-0.379614569	 1.5044773725	 0.399758
+C	-3.8314089815	-0.8819537643	 2.0304916077	-0.370134
+C	-3.0456021197	 0.1972602667	 2.7786708823	-0.382492
+H	 0.4725475324	-0.2414810406	-0.7189251675	 0.285457
+H	-0.5521428397	 1.0037600364	 1.5847088865	 0.084421
+H	-2.6361604662	 0.9943978575	-0.4107032486	 0.084819
+H	-2.6499569479	-1.9038763563	-0.417521749	 0.10765
+H	-1.0858477394	-1.3667594963	-1.1179508789	 0.077331
+H	-0.1841699605	-1.7994979967	 2.6015669679	 0.288102
+H	-4.7538043134	-0.5844111767	 1.5415566783	 0.113608
+H	-3.8584582893	-1.8753893319	 2.4684890407	 0.118414
+H	-3.4476343424	 1.2057233076	 2.7790947004	 0.115314
+H	-2.5685154559	-0.0882188672	 3.7122772627	 0.106013
+19
+0 3018	2.6047521	1.3271928	1.1899716	2.6501	76.91	-0.24269	-0.023	0.21969	1131.7777	0.155389	-422.524856	-422.515939	-422.514995	-422.558233	33.328
+C	-1.8760221203	 0.24277722	 0.2059941868	-0.521397
+C	-0.9142756904	-0.7962210643	-0.3020830754	 0.286186
+C	-0.2986885663	-2.012310683	 0.4539872507	-0.27992
+C	 0.309115451	-2.0874472971	-0.975973959	-0.11634
+C	-1.1365466933	-1.7785770948	-1.4817817541	 0.112462
+O	-1.344073318	-1.1772337565	-2.7343417495	-0.443648
+C	 0.534122301	-0.5524713498	-0.9238002919	-0.100014
+C	 1.606492382	 0.0525553595	-0.0719881647	 0.111179
+O	 2.4066470143	-0.5518554088	 0.6018762751	-0.252381
+H	-1.4482788194	 0.8136792176	 1.0366028314	 0.124208
+H	-2.1465670317	 0.9448249512	-0.589336394	 0.13377
+H	-2.7968103911	-0.2303864255	 0.5649271844	 0.124097
+H	 0.3986964866	-1.7963458698	 1.2601359808	 0.130296
+H	-1.0004584647	-2.8058244065	 0.7290000238	 0.088816
+H	 1.0063436689	-2.8333744856	-1.3565301206	 0.077919
+H	-1.8752082665	-2.5686127309	-1.2878774011	 0.066679
+H	-1.2836106867	-1.8574807649	-3.412025069	 0.288227
+H	 0.4901583152	-0.0300517722	-1.8836774081	 0.098394
+H	 1.6297097195	 1.1679491814	-0.1066681255	 0.071467
+19
+0 3019	2.1653923	1.6162037	1.4443101	2.5322	76.18	-0.25744	-0.03373	0.22371	1039.1373	0.155388	-422.521608	-422.512814	-422.51187	-422.554938	33.064
+C	-0.1480673901	 0.0370090923	-0.036359837	-0.450803
+C	 1.3731002977	 0.0384022194	-0.0294238069	-0.007122
+C	 2.2127667264	 1.3214082416	-0.3113153964	-0.111451
+C	 3.442704106	 0.3734002698	-0.504386889	-0.269159
+C	 2.2768219002	-0.2803105737	-1.2889528113	 0.39358
+O	 2.344147653	-1.4425617119	-2.0197686481	-0.475306
+C	 1.968017366	 1.1385866521	-1.8477153659	-0.112237
+C	 0.6901897151	 1.3441938322	-2.6055562326	 0.091317
+O	 0.2025529908	 0.470699696	-3.2895381677	-0.26252
+H	-0.5233331562	 0.3014253628	 0.9580946209	 0.117515
+H	-0.5980696238	 0.7375284502	-0.742695069	 0.12363
+H	-0.5326626843	-0.960004407	-0.2783912057	 0.12987
+H	 1.7257250792	-0.5048470798	 0.8542837638	 0.072251
+H	 2.1977087449	 2.2563443617	 0.2440980513	 0.084774
+H	 4.2732557832	 0.7608570929	-1.0990582577	 0.094919
+H	 3.7879974382	-0.1495907904	 0.3899543715	 0.10029
+H	 1.6109038237	-1.4107769762	-2.6491055621	 0.295001
+H	 2.7675477028	 1.5771360397	-2.4640697199	 0.098611
+H	 0.2396732072	 2.3618651183	-2.5837923883	 0.086839
+19
+0 3020	2.3807635	1.37496	1.311512	0.8449	76.49	-0.23835	-0.03585	0.2025	1113.6068	0.154037	-422.507299	-422.498154	-422.49721	-422.541028	33.676
+C	 0.0535163816	-0.1894048536	-0.1446206077	-0.435582
+C	 1.5492038725	 0.0109124784	 0.0101738461	-0.016591
+C	 2.0653566123	 1.3513636606	 0.5868645261	 0.010463
+O	 1.5193783174	 0.9952772702	 1.9054598739	-0.343837
+C	 2.2031997697	-0.2434990897	 1.4104199983	 0.399862
+C	 2.1869088762	-1.4675050413	 2.2679828826	-0.526515
+C	 3.4060519731	 0.6599159185	 1.0183094984	-0.120163
+C	 4.4526907352	 0.2399226156	 0.0283174585	 0.120297
+O	 4.5095225786	-0.8368311825	-0.5160653593	-0.254535
+H	-0.4840520692	 0.2167301227	 0.7144094506	 0.13693
+H	-0.31133137	 0.3057006958	-1.0509773527	 0.116147
+H	-0.1867633999	-1.2540469665	-0.237908847	 0.118582
+H	 2.1149347629	-0.3922011262	-0.8317467698	 0.098675
+H	 1.9183366383	 2.3749621563	 0.2407216009	 0.096687
+H	 2.6146054701	-1.2557710163	 3.2525417255	 0.133599
+H	 1.1638476046	-1.8308665559	 2.403441664	 0.135558
+H	 2.779226726	-2.2531190096	 1.7895577493	 0.147279
+H	 3.8580511417	 1.1861350227	 1.8648435285	 0.100049
+H	 5.2230519288	 1.0188957608	-0.1767850059	 0.083096
+19
+0 3021	2.8665976	1.4457389	1.1720184	1.5654	77.18	-0.23349	0.00764	0.24113	1123.1537	0.155641	-422.5341	-422.525457	-422.524513	-422.566757	33.476
+C	 1.606869021	 1.0023092955	 0.1662576448	-0.515409
+C	 0.2419206379	 0.4173822405	 0.2703993925	 0.364954
+C	-0.9837137775	 0.943749017	 0.1393916173	-0.26228
+C	-1.8940885908	-0.2412199668	 0.4406738713	 0.328905
+C	-3.3810529382	-0.186805197	 0.2544838151	-0.513191
+O	-1.2060221421	-1.3440248823	-0.2827422021	-0.348382
+C	-0.1028625145	-1.0280156308	 0.6321401777	-0.106385
+C	-1.1941365397	-0.8180816111	 1.7416945395	 0.162363
+O	-1.7632821971	-1.9733894759	 2.2641261773	-0.448478
+H	 2.1677081689	 0.8777474443	 1.1011943898	 0.131601
+H	 2.1938299199	 0.5079946519	-0.6179854889	 0.134689
+H	 1.5664718229	 2.0708763607	-0.0621674501	 0.129645
+H	-1.2895691889	 1.9579424651	-0.0767449832	 0.104812
+H	-3.7941795641	 0.6976243882	 0.7495862595	 0.125214
+H	-3.6335815148	-0.1362875635	-0.8089866132	 0.135302
+H	-3.8552670828	-1.0729119789	 0.6858111356	 0.126118
+H	 0.6729390909	-1.7918284258	 0.6889785145	 0.077715
+H	-0.9832221134	-0.1325637945	 2.565001646	 0.087302
+H	-1.9088844977	-2.5564782466	 1.5053333067	 0.285505
+19
+0 3022	2.8355556	1.4278497	1.1713175	1.8227	76.82	-0.21965	0.01858	0.23823	1114.8233	0.155704	-422.541197	-422.532322	-422.531377	-422.574072	34.165
+C	 1.2835333509	 0.7727832225	-0.0293197855	-0.516215
+C	-0.0684225717	 0.166501858	 0.1234564897	 0.354967
+C	-0.4599920753	-1.0942212789	 0.3516750735	-0.300205
+C	-1.9900955216	-0.9951575818	 0.3279862056	 0.328237
+O	-2.7909996799	-2.1330346879	 0.4090097122	-0.497652
+C	-2.2247546694	 0.3063205229	 1.1720507901	-0.286006
+C	-1.4026561421	 0.9180740974	-0.0102685416	-0.155269
+C	-2.1674502864	-0.0935959088	-0.9399222536	 0.149139
+O	-3.4889063116	 0.2842145026	-1.2279307618	-0.456982
+H	 1.4519421313	 1.5673836732	 0.7089396268	 0.127376
+H	 2.0722944517	 0.0246090394	 0.0907821559	 0.125039
+H	 1.4028769582	 1.2370976628	-1.0166272771	 0.130076
+H	 0.1213579434	-1.9995918844	 0.4632737178	 0.096924
+H	-2.7628922172	-2.4695463424	 1.3107112545	 0.283241
+H	-3.2672282641	 0.6276611196	 1.1736440702	 0.108887
+H	-1.7768237365	 0.3476401606	 2.1676354577	 0.083304
+H	-1.3915898524	 1.9860835258	-0.2203046405	 0.070215
+H	-1.628214762	-0.423451372	-1.8378750421	 0.063184
+H	-4.0165116152	-0.5231906088	-1.237585602	 0.291739
+19
+0 3023	2.3110836	1.7805168	1.6117944	1.4574	75.13	-0.23986	-0.00419	0.23567	972.5473	0.157321	-422.56065	-422.552685	-422.551741	-422.592371	31.939
+C	 1.674770342	-1.7190951974	-2.4035687174	-0.498747
+C	 0.7831093893	-1.5112608063	-1.2052657676	 0.337235
+O	-0.6428827725	-1.665365935	-1.5082307372	-0.325626
+C	-0.9468277635	-0.7247333612	-0.4436521248	 0.039401
+C	-1.0012689238	-1.4727165558	 0.8952669695	-0.275189
+C	 0.2216549469	-2.3595482385	 1.0094517275	-0.096481
+C	 1.0968911856	-2.3825002201	 0.0005652403	-0.100813
+C	 0.4437823191	-0.0778228594	-0.6839293523	 0.085743
+O	 1.1715497873	 0.5217626958	 0.3423189891	-0.434386
+H	 1.6470250711	-2.762980288	-2.7339862753	 0.128661
+H	 1.3540368496	-1.0846707788	-3.2336455598	 0.126159
+H	 2.7106835204	-1.4691847959	-2.150500056	 0.125538
+H	-1.8502833975	-0.1446107921	-0.6486077014	 0.075238
+H	-1.0418662098	-0.7541895351	 1.7251929382	 0.116227
+H	-1.9167683231	-2.0740445804	 0.9601242815	 0.121323
+H	 0.3481023506	-2.9698475406	 1.8994301414	 0.100597
+H	 1.9978878876	-2.9880006965	 0.0159753941	 0.094899
+H	 0.3994531505	 0.630172415	-1.514105676	 0.099755
+H	 1.3824064703	-0.1691966897	 0.9843038363	 0.280466
+19
+0 3024	2.5548343	1.7896262	1.343271	2.1388	75.21	-0.2357	0.00986	0.24556	998.5028	0.157976	-422.564377	-422.556556	-422.555611	-422.595841	32.057
+O	 0.2633271044	-0.1819675019	 0.2241477954	-0.463319
+C	-0.8774347562	 0.3776507904	 0.8305120413	 0.118289
+C	-2.1715625039	 0.0959774148	 0.0160532597	-0.056726
+C	-1.7820068505	 1.3182167118	-0.8739600787	-0.26205
+C	-1.0882570871	 1.8669424987	 0.3989216653	 0.350096
+O	 0.0691179196	 2.6424732256	 0.1921381761	-0.507288
+C	-2.138323359	 2.4759414394	 1.2992352408	-0.141741
+C	-3.2470603919	 1.7723950008	 1.5293369651	-0.067994
+C	-3.4070030962	 0.4157024371	 0.8772300505	-0.270333
+H	 0.8926044977	 0.5444069782	 0.1169675884	 0.282935
+H	-0.9031397073	 0.162221105	 1.9079120928	 0.05378
+H	-2.2346732868	-0.8808392789	-0.4653065965	 0.076615
+H	-1.0487778644	 1.0311011261	-1.6277717629	 0.114304
+H	-2.5744119203	 1.9269786389	-1.3137409592	 0.093519
+H	 0.3261936761	 3.038635489	 1.0328388451	 0.280022
+H	-1.9647130173	 3.4637827162	 1.7181876642	 0.086109
+H	-4.0462729434	 2.1510276826	 2.15960809	 0.09365
+H	-3.5465379463	-0.3585294173	 1.6447461484	 0.110346
+H	-4.3192884272	 0.3966052834	 0.2648080341	 0.109785
+19
+0 3025	2.6945486	1.4946057	1.2000364	3.1393	75.32	-0.23461	-0.01131	0.2233	1082.3205	0.156573	-422.573798	-422.565374	-422.56443	-422.606241	32.825
+C	-3.660892152	 1.2067972332	 0.033450609	-0.495468
+C	-2.3226227588	 0.5088825551	 0.0324181182	 0.293408
+C	-1.9391041331	-0.573790322	 1.0949707539	-0.315134
+C	-0.8939024861	-1.0187346351	 0.0173237998	-0.175685
+C	-1.9689893782	-0.5729584054	-1.0487178686	 0.14015
+O	-2.9641133981	-1.5030707158	-1.3801748651	-0.44676
+C	-0.000925147	 0.2087955936	-0.0072746046	 0.435199
+O	 1.197559199	 0.2813074518	-0.044026512	-0.334021
+C	-1.034398326	 1.3577903573	 0.0053508332	-0.379912
+H	-3.8159263133	 1.7731424033	 0.9582822889	 0.119374
+H	-3.739537059	 1.9083483377	-0.804390277	 0.122856
+H	-4.4763231008	 0.4828654042	-0.0641324601	 0.117545
+H	-1.561679955	-0.2350820249	 2.0639857803	 0.110226
+H	-2.7225166707	-1.3168482736	 1.2667088351	 0.095463
+H	-0.4135138882	-1.9945870876	-0.0008503761	 0.084942
+H	-1.5891801443	-0.2027030434	-2.0057345461	 0.091928
+H	-3.2781933104	-1.9408396394	-0.582347052	 0.28562
+H	-0.91361962	 1.9976653892	 0.8858358902	 0.125375
+H	-0.9339654579	 1.9849766119	-0.8870714469	 0.124891
+19
+0 3026	2.3689945	1.6589236	1.4349681	4.4177	75.18	-0.25893	0.01587	0.2748	1027.5726	0.156967	-422.593478	-422.585205	-422.584261	-422.625807	31.994
+C	-1.5740204873	 0.2349953455	 2.4523964444	-0.440936
+C	-1.989245204	 0.5908659089	 1.0354336826	-0.009349
+C	-0.9303719868	 0.9862924187	-0.0587515755	-0.208817
+C	-2.0030491036	 0.541180854	-1.1096113889	-0.278415
+C	-2.287516926	-0.519916326	-0.0186047896	 0.42002
+C	-3.4581194667	-1.4580030352	 0.0101089291	-0.496195
+O	-1.0243334606	-1.2778938283	-0.0237396684	-0.283341
+C	-0.0821869796	-0.2770966662	-0.0515538711	 0.454037
+O	 1.0972728976	-0.4610561957	-0.0622282061	-0.356136
+H	-0.8017123107	-0.5385447934	 2.4703586784	 0.146583
+H	-1.1849244519	 1.1153954257	 2.9739544299	 0.125723
+H	-2.4326172627	-0.1336318344	 3.0237114747	 0.121461
+H	-2.8002889365	 1.3258232904	 1.0383043369	 0.083038
+H	-0.4019527524	 1.9354222135	-0.0844701735	 0.094551
+H	-2.8067001337	 1.2701528987	-1.228883871	 0.110677
+H	-1.654740293	 0.1761847609	-2.0781825803	 0.117681
+H	-3.4336112421	-2.0799252711	 0.9098861318	 0.137664
+H	-4.3939202732	-0.8916471897	 0.0038712467	 0.12351
+H	-3.4454619868	-2.1189667062	-0.8614899704	 0.138246
+19
+0 3027	2.7066577	1.495286	1.201872	2.4998	75.43	-0.23641	-0.00717	0.22924	1082.3196	0.156759	-422.576579	-422.568201	-422.567256	-422.608998	32.736
+C	-2.9763747686	 1.5181127509	-1.5848524908	-0.434997
+C	-1.9194977861	 0.5146271013	-1.1429862043	-0.004939
+C	-0.8815937603	 0.9917617831	-0.0536537679	-0.142652
+C	-1.9611039417	 0.6158443875	 1.016811571	-0.320474
+C	-2.3075534825	-0.4951556945	-0.0251864433	 0.420789
+O	-3.5574379782	-1.1007455963	-0.1100407963	-0.488358
+C	-1.046518745	-1.3839773561	 0.0426028433	-0.410883
+C	 0.0015359007	-0.2434201641	 0.0173135557	 0.436954
+O	 1.1986733954	-0.3297189011	 0.0422863631	-0.334446
+H	-3.434087803	 2.059725093	-0.7536481676	 0.122049
+H	-2.5381272283	 2.2564453072	-2.2638051384	 0.120153
+H	-3.7774763823	 1.0004751372	-2.1212163262	 0.13551
+H	-1.4709880961	 0.0530554101	-2.03049886	 0.076684
+H	-0.3932240725	 1.9627529204	-0.0898370662	 0.083712
+H	-1.6125912198	 0.3096087384	 2.0074574752	 0.099426
+H	-2.7397936701	 1.3710863948	 1.1115233398	 0.117415
+H	-3.6303099454	-1.7645323897	 0.5840150567	 0.281852
+H	-0.9686109866	-1.9750781138	 0.9619499442	 0.114262
+H	-0.9370835297	-2.0534583285	-0.8159496677	 0.127943
+19
+0 3028	2.4254284	1.6038371	1.3462521	3.2678	74.87	-0.22898	-0.01714	0.21184	1051.3535	0.155828	-422.566869	-422.558331	-422.557387	-422.599561	32.718
+C	-1.6640577071	 0.4946203629	 2.4713050329	-0.443177
+C	-1.9848333967	 0.7836230862	 1.0134883206	-0.020687
+C	-0.8939153616	 1.0986343864	-0.0433518447	-0.055978
+O	-1.8124946202	 0.6254274515	-1.0767692839	-0.331775
+C	-2.2646516202	-0.3307583523	-0.0459474782	 0.391937
+C	-3.6243134245	-0.9204827611	-0.28844351	-0.494998
+C	-1.0302160433	-1.2555995437	 0.0216656673	-0.385301
+C	 0.0269250979	-0.1288538015	 0.0601686078	 0.443999
+O	 1.2204567352	-0.1933938399	 0.1500984356	-0.326226
+H	-0.8394855476	-0.2137075039	 2.5926745288	 0.132074
+H	-1.3818548502	 1.4161261468	 2.9906562734	 0.131023
+H	-2.5393234791	 0.0835542475	 2.985432811	 0.125295
+H	-2.7700033611	 1.5395077007	 0.9195537516	 0.092394
+H	-0.4529755581	 2.07832447	-0.2158616635	 0.09447
+H	-3.9074753601	-1.5777884572	 0.5401712656	 0.126169
+H	-4.3763577505	-0.13194697	-0.3817102686	 0.129611
+H	-3.6289313244	-1.5138202451	-1.2084313446	 0.133812
+H	-0.9673114087	-1.9077364669	 0.8969888864	 0.123081
+H	-0.9358832898	-1.8640767104	-0.8815010875	 0.134278
+19
+0 3029	2.5614127	1.8103908	1.3522792	1.1527	75.13	-0.23589	0.00373	0.23962	1002.5376	0.157226	-422.556339	-422.548332	-422.547387	-422.588145	32.049
+C	 1.2044390312	 1.0546753922	-3.0463707288	-0.469584
+C	 0.1947883001	 0.292094052	-2.2244730605	 0.335956
+C	-0.6379917039	-0.7181803959	-3.038986592	-0.294203
+C	-1.7194681489	-1.3179959271	-2.1685293766	-0.073746
+C	-1.8233629727	-0.9098637189	-0.904484583	-0.054014
+C	-0.8306557499	 0.1388243024	-0.4677312357	-0.02081
+O	-0.7367080886	 1.17435221	-1.5024489463	-0.347342
+C	 0.6078883972	-0.3019436098	-0.8388197511	 0.145576
+O	 1.6251947091	 0.4094237641	-0.1838153759	-0.453734
+H	 1.8518800417	 1.6664492547	-2.4145334238	 0.117704
+H	 1.8365188128	 0.3635235268	-3.6135025579	 0.121533
+H	 0.688722094	 1.708827015	-3.7570805157	 0.128494
+H	-1.0785579627	-0.2162226471	-3.9118015357	 0.113589
+H	 0.0193225451	-1.503286787	-3.4375389859	 0.10965
+H	-2.3908296523	-2.0537230689	-2.6013444173	 0.097054
+H	-2.5599156124	-1.2980598357	-0.2097400107	 0.094739
+H	-1.0029715332	 0.5603011554	 0.5251357288	 0.074
+H	 0.8578345029	-1.3623982058	-0.7735450829	 0.088039
+H	 1.3666851806	 1.3396277735	-0.1908601989	 0.287098
+19
+0 3030	2.5645937	1.7997132	1.3568349	2.2768	75.17	-0.2367	0.01457	0.25127	990.3132	0.158309	-422.566422	-422.558713	-422.557768	-422.597771	31.79
+O	-0.6011010515	 0.2241963338	 0.0580441641	-0.465501
+C	-1.973891878	 0.1723246955	 0.3568982523	 0.124612
+C	-2.8898640171	 0.3473605653	-0.8973020779	-0.100474
+C	-2.683028804	 1.8867860531	-0.7275509747	-0.262565
+C	-2.5105980388	 1.5790027056	 0.7785445576	 0.367145
+O	-1.5950428369	 2.4140311144	 1.4542650263	-0.497431
+C	-3.8718994027	 1.4472014757	 1.4700621438	-0.333686
+C	-4.7619555822	 0.5269569285	 0.6620602084	-0.066331
+C	-4.2991878794	 0.0035048618	-0.4748832386	-0.064964
+H	-0.2447766039	 0.9678699871	 0.5644611516	 0.284126
+H	-2.2054409773	-0.6824470548	 1.0064922939	 0.057199
+H	-2.5649725197	-0.1232872979	-1.8240810378	 0.074515
+H	-1.7367125768	 2.2131277312	-1.1596840318	 0.113948
+H	-3.4965841942	 2.5503097196	-1.0275053247	 0.094871
+H	-1.678483345	 2.2569912442	 2.4022735663	 0.280388
+H	-3.7341580151	 1.0478885681	 2.4878038085	 0.096235
+H	-4.3288927937	 2.4398506449	 1.5882638813	 0.113959
+H	-5.7628708088	 0.32302432	 1.0295391364	 0.092255
+H	-4.900705845	-0.6631383659	-1.084481035	 0.091701
+19
+0 3031	2.5617475	1.5330058	1.1436704	3.0228	76.16	-0.24707	-0.02693	0.22014	1115.7862	0.155978	-422.53333	-422.524527	-422.523583	-422.567391	32.801
+C	 1.1365063838	 2.5095136651	-2.0474993722	-0.490062
+C	 0.1954767505	 1.678149707	-2.8893750328	 0.25051
+O	-0.4140198229	 2.1391996714	-3.836458735	-0.317014
+C	-0.0070672052	 0.238533878	-2.5299482014	 0.210394
+C	 0.9485051019	-0.8630103831	-1.9867168335	-0.2925
+C	-0.4284369515	-1.5688002154	-2.1866522343	-0.088688
+C	-1.0846289668	-0.3212278992	-1.5286617137	-0.256882
+C	-0.5161932515	-0.8238456863	-3.5467038799	 0.150828
+O	-1.7807198321	-0.6430628602	-4.1158689465	-0.454492
+H	 2.1545813504	 2.1109251297	-2.1274055706	 0.146695
+H	 1.1206085338	 3.5491184092	-2.3770675249	 0.143647
+H	 0.8564739147	 2.4456716956	-0.9899872645	 0.142616
+H	 1.7660763465	-1.1702586426	-2.6455394535	 0.098938
+H	 1.2828686966	-0.7559518398	-0.9528522192	 0.100242
+H	-0.6600138394	-2.6157328582	-1.99163586	 0.08206
+H	-2.1218207967	-0.1216406409	-1.791637006	 0.12318
+H	-0.8803112243	-0.1618074345	-0.4669908071	 0.091143
+H	 0.2268838003	-1.1320231185	-4.2958898788	 0.063984
+H	-1.7714914879	 0.2410065727	-4.5052273959	 0.295399
+19
+0 3032	2.4618793	1.3995694	1.2751078	1.7544	76.4	-0.24678	-0.02503	0.22175	1118.5616	0.154221	-422.513649	-422.504463	-422.503519	-422.548356	33.541
+C	-0.096101979	 0.4284124328	-0.2085709821	-0.440105
+C	 1.4094424639	 0.2683767735	-0.1457822824	 0.010182
+C	 2.0819783662	-0.9421089348	-0.8521842526	 0.022205
+C	 3.3197869585	-0.7804775692	 0.0559779518	-0.255057
+C	 2.0281383107	-0.6958802797	 0.918888482	 0.324693
+O	 1.4917826816	-1.8547532658	 0.160798494	-0.348534
+C	 1.9061633872	-0.661323529	 2.4178334024	 0.245706
+C	 1.4042532244	-1.923362931	 3.0783218067	-0.486156
+O	 2.2100080623	 0.3448454483	 3.0177723529	-0.307091
+H	-0.4497326163	 1.0878759941	 0.5907313689	 0.127837
+H	-0.3963479891	 0.8766874922	-1.1616393496	 0.1186
+H	-0.5898555175	-0.5407371967	-0.1099924891	 0.134988
+H	 1.9415545005	 1.2178311429	-0.2513808545	 0.085212
+H	 2.0228522625	-1.2591832817	-1.8935750157	 0.098716
+H	 3.906699395	-1.6871740367	 0.2036107355	 0.111499
+H	 3.9261271474	 0.1222149896	-0.0383205543	 0.111812
+H	 1.3890626099	-1.7968371412	 4.1612496361	 0.139064
+H	 0.4010780563	-2.1596853012	 2.7066475062	 0.155593
+H	 2.0383647654	-2.7713424461	 2.7979912436	 0.150835
+19
+0 3033	2.7288395	1.5211807	1.210466	2.3055	75.76	-0.23987	0.07984	0.31971	1087.2668	0.155888	-422.467609	-422.459335	-422.458391	-422.500672	31.427
+C	-0.1463881924	 0.2101197542	 0.161381852	-0.425257
+C	 1.3384524787	-0.0305815632	-0.0244932117	-0.004915
+C	 2.2117648612	-0.4079902896	 1.2027594935	 0.031117
+C	 3.4741079885	 0.0799154058	 0.4573739246	-0.272434
+C	 2.342836438	 1.1282894136	 0.2930053158	 0.423434
+O	 2.0351136034	 0.9650403603	 1.738067361	-0.342647
+C	 2.4117399565	 2.5034740435	-0.2688419144	-0.103637
+C	 2.3637018173	 3.6833702329	 0.603667702	-0.16986
+O	 1.2243744265	 3.2924998437	-0.1667607095	-0.229442
+H	-0.3275162373	 0.7766870411	 1.0761184323	 0.141457
+H	-0.5566016892	 0.7760953422	-0.6803300237	 0.125698
+H	-0.6870453191	-0.741024549	 0.2198050072	 0.108159
+H	 1.5667337477	-0.5917712448	-0.9369761456	 0.06777
+H	 2.1001050693	-1.230613488	 1.9090995645	 0.095499
+H	 4.2973416628	 0.3914184116	 1.1009130423	 0.108369
+H	 3.800559292	-0.4712241599	-0.4281856537	 0.095766
+H	 2.9235771949	 2.5754879379	-1.2297164092	 0.09722
+H	 2.2715208673	 3.5326571729	 1.6763982115	 0.138751
+H	 2.8495524238	 4.6050183945	 0.2871383114	 0.114953
+19
+0 3034	2.826444	1.364004	1.1291041	0.8678	75.4	-0.25103	0.06454	0.31556999999999996	1128.7616	0.156938	-422.486008	-422.477817	-422.476873	-422.519152	31.308
+O	-2.952252018	 0.9897167851	 1.1407084071	-0.448492
+C	-1.9486583437	 0.4685148728	 1.9617749861	 0.151613
+C	-1.9602913914	-1.0127112456	 2.4475266265	-0.107637
+C	-0.4561064368	-0.8099722477	 2.7775266249	-0.263695
+C	-0.644287373	-0.1744909283	 1.365026989	 0.318345
+C	-1.5032792502	-1.4304685121	 1.0155548246	-0.29782
+C	 0.3945201939	 0.4840416617	 0.5288275812	-0.085244
+C	 0.3615884968	 0.4520905413	-0.9395711503	-0.175749
+O	 1.2699151073	-0.3758807086	-0.214134904	-0.235888
+H	-3.2039883361	 0.3311968667	 0.4854931743	 0.283139
+H	-1.7810292018	 1.2181756383	 2.7400174692	 0.083608
+H	-2.7108376082	-1.5021571768	 3.0682590139	 0.077796
+H	-0.2153264718	-0.1282042442	 3.5985001684	 0.093017
+H	 0.1549307121	-1.7136177755	 2.8099513445	 0.107119
+H	-2.2277900017	-1.3460351309	 0.1986848541	 0.075074
+H	-0.9594844248	-2.3736017476	 0.9321794454	 0.110687
+H	 0.9022163611	 1.3265884129	 1.0026304288	 0.090293
+H	-0.4444534854	-0.0744786771	-1.4481416329	 0.107705
+H	 0.8143260717	 1.2650318754	-1.5055578009	 0.116129
+19
+0 3035	2.8444387	1.4671885	1.1909219	1.6087	75.5	-0.24546	0.07306	0.31852	1094.1592	0.156822	-422.482472	-422.474453	-422.473509	-422.515218	31.427
+O	 1.2863167596	-0.3961904065	 3.2220508853	-0.444544
+C	 0.1138243496	 0.2795466258	 2.9258481644	 0.155467
+C	-1.2349879005	-0.478364496	 3.0586349346	-0.011069
+C	-1.884528693	 0.5147389391	 2.0824263004	-0.268014
+C	-0.5113577819	 0.1007440485	 1.4975467774	 0.36773
+O	-0.8178605699	-1.3163985548	 1.8969987304	-0.375255
+C	 0.0714166254	 0.3299156701	 0.1535103972	-0.148657
+C	 0.9893719644	-0.7018752534	-0.456194799	-0.262067
+C	-0.3919420512	-0.4963563592	-1.0222094476	-0.269401
+H	 1.1659398502	-1.2805652449	 2.8463179362	 0.28651
+H	 0.1753890925	 1.2918369565	 3.3320069231	 0.087073
+H	-1.6641550218	-1.0029229521	 3.9119052086	 0.09802
+H	-2.744634081	 0.1245927222	 1.5390370614	 0.114475
+H	-2.0143549337	 1.5505952662	 2.4069897974	 0.097803
+H	 0.3084229232	 1.372745695	-0.0378833633	 0.092435
+H	 1.844678729	-0.3502190836	-1.0215917891	 0.114337
+H	 1.1612796907	-1.6100929531	 0.10898672	 0.123694
+H	-0.4943193629	-0.0034851669	-1.9823400275	 0.112083
+H	-1.1289080887	-1.2656382229	-0.8222177799	 0.129381
+19
+0 3036	2.2810362	1.3288561	1.3042836	3.622	77.31	-0.24084	-0.02754	0.2133	1124.142	0.155411	-422.514329	-422.505102	-422.504158	-422.548654	33.513
+C	-0.2536601985	 0.1267821261	-0.0304961917	-0.477774
+C	 1.2727462366	 0.0647386723	 0.0201176632	 0.002094
+C	 2.2338169413	 1.2558026313	-0.3361682966	-0.141883
+C	 3.3649304097	 0.1888662949	-0.4558946997	-0.262127
+C	 2.1515948476	-0.4370478256	-1.1877791805	 0.200144
+C	 2.0916999233	-1.7475683206	-1.8844284988	 0.018776
+O	 3.0420900425	-2.4744316418	-2.0509608101	-0.250641
+C	 1.9840719754	 1.0075526768	-1.8457176372	 0.13551
+O	 0.8198857409	 1.4305006393	-2.4940254006	-0.443048
+H	-0.6736648324	-0.7921400136	 0.3911720525	 0.1283
+H	-0.6310113306	 0.9558655826	 0.5802879332	 0.122222
+H	-0.6591478328	 0.2229056002	-1.038656316	 0.132657
+H	 1.5704640792	-0.4137375175	 0.959692092	 0.080093
+H	 2.2994249368	 2.2232177741	 0.1665282187	 0.076348
+H	 4.2283268311	 0.4516085533	-1.0696354413	 0.107321
+H	 3.6623401087	-0.3019163469	 0.4713198422	 0.108177
+H	 1.0844242549	-2.0252881907	-2.2710987318	 0.074676
+H	 2.818304478	 1.2537360615	-2.509360979	 0.094967
+H	 0.1961600082	 1.7706412142	-1.8486020583	 0.294188
+19
+0 3037	1.8430999	1.7338815	1.2448585	2.3256	76.91	-0.24948	-0.04043	0.20905	1124.6169	0.154037	-422.501578	-422.492274	-422.491329	-422.535936	33.74
+C	 3.1101660884	-0.0751217025	 2.9770004286	-0.443013
+C	 2.51282899	-1.1884456334	 2.1368584098	 0.005893
+C	 0.9926418992	-1.3824772937	 1.8716688257	 0.009285
+O	 1.3495420848	-2.2512676686	 0.7199875236	-0.342868
+C	 2.2074546418	-1.0533012911	 0.600195055	 0.296
+C	 3.184382038	-0.9895209793	-0.5250843472	 0.029607
+O	 3.7697375826	 0.0184677299	-0.8332606935	-0.253901
+C	 0.9712815463	-0.1541453128	 0.9194330572	-0.008238
+C	-0.1318502958	-0.0353179785	-0.1145972865	-0.438756
+H	 3.0160795543	-0.319653441	 4.0405857367	 0.126718
+H	 4.1773088213	 0.0309284449	 2.7575085909	 0.137343
+H	 2.6404870734	 0.8972894647	 2.8154365671	 0.129599
+H	 2.9915699169	-2.1505815272	 2.3361790214	 0.092686
+H	 0.2151499022	-1.752275131	 2.5417109319	 0.095816
+H	 3.3450772171	-1.9580727099	-1.0483809549	 0.096763
+H	 1.2063878533	 0.8059829158	 1.3812876701	 0.083292
+H	-0.3519692734	-1.0077276775	-0.5593035148	 0.138291
+H	-1.0468023407	 0.3540838488	 0.344587931	 0.117737
+H	 0.1570711402	 0.6589808823	-0.9103382019	 0.127746
+19
+0 3038	2.5299704	1.487841	1.3139071	2.7282	75.57	-0.24916	-0.03435	0.21481	1061.1494	0.156997	-422.550178	-422.541911	-422.540967	-422.583124	31.258
+C	-0.0908169587	-0.288484531	-0.1539482192	-0.438213
+C	 1.4006825857	-0.0672639382	 0.0199986486	-0.017619
+C	 2.192795157	-0.8604422518	 1.0969943376	 0.089549
+C	 3.4665020475	-0.5636196002	 0.2734431658	-0.286218
+C	 2.4584254009	-0.8074678747	-0.9047927998	 0.181355
+C	 2.0964214816	-2.2725225283	-0.6419831422	-0.121788
+O	 1.9036830399	-2.2334514816	 0.7932595699	-0.27877
+C	 2.7288908748	-0.3549325383	-2.2966772388	 0.045314
+O	 2.6228143175	-1.0535623403	-3.2755895351	-0.250066
+H	-0.6476685005	 0.3054544235	 0.5784969505	 0.121701
+H	-0.427819602	 0.0154699503	-1.1506688916	 0.124208
+H	-0.3576900668	-1.3364741065	-0.001154826	 0.142077
+H	 1.645278631	 0.9977347357	 0.0639678474	 0.081931
+H	 2.1004589206	-0.6947126205	 2.1694287545	 0.083394
+H	 3.8044407554	 0.4716786864	 0.3387144723	 0.108912
+H	 4.3008434199	-1.2613910579	 0.3692435596	 0.112442
+H	 1.1805381171	-2.5961149738	-1.1441794779	 0.115796
+H	 2.90457417	-2.9642536614	-0.8993692154	 0.114224
+H	 3.0395308491	 0.7120639585	-2.3843548203	 0.071771
+19
+0 3039	2.5497969	1.5434079	1.3325708	2.7483	75.4	-0.25067	-0.03418	0.21649000000000002	1049.2934	0.156683	-422.550722	-422.542355	-422.541411	-422.584179	31.376
+C	 2.9138504432	-1.4914586928	-0.9639275224	-0.445597
+C	 2.1430776293	-0.4061636987	-0.2338065342	 0.003666
+C	 0.6464900568	-0.0704632207	-0.5686657394	-0.10492
+C	 0.5562532041	 0.5002910562	 0.8790678101	-0.272022
+C	 1.4858374286	-0.718971201	 1.1476232198	 0.347276
+O	 0.6368460405	-1.8460393813	 0.8776501271	-0.324991
+C	-0.0183685414	-1.4354107929	-0.3486012663	-0.086445
+C	 2.2495635375	-0.8983034724	 2.4224536226	 0.058488
+O	 3.1437427861	-0.1632408322	 2.7607972495	-0.262239
+H	 3.9231586606	-1.5866947055	-0.5508594006	 0.129241
+H	 2.4251195476	-2.4646055742	-0.8740256683	 0.134007
+H	 3.0136963951	-1.251736627	-2.0281616026	 0.118136
+H	 2.7242359712	 0.5155633923	-0.1641390563	 0.09602
+H	 0.3532654206	 0.5011110792	-1.448756424	 0.076722
+H	 1.0636409943	 1.4560841179	 1.0063464153	 0.122424
+H	-0.4131672103	 0.489699273	 1.3822315055	 0.105274
+H	 0.1820741748	-2.1632268042	-1.141641966	 0.10585
+H	-1.1006510709	-1.3702044302	-0.1904555444	 0.105955
+H	 1.9232659224	-1.7595382056	 3.0446061044	 0.093155
+19
+0 3040	2.4728128	1.5347396	1.3238556	2.6598	75.07	-0.25319	-0.03542	0.21777000000000002	1058.1769	0.156477	-422.554778	-422.546319	-422.545375	-422.588161	31.622
+C	 1.0613034092	-0.573076114	-1.0214585016	-0.438555
+C	 0.9750620578	 0.1145877842	 0.3278166982	-0.004963
+C	 1.5828816865	 1.5071823151	 0.6403912144	 0.051999
+C	 3.0656465992	 1.3953464102	 0.2300460627	-0.226723
+C	 3.3620486497	 0.0216373931	 0.9098418786	-0.263523
+C	 1.9561314354	-0.2024510662	 1.5099770719	 0.320353
+O	 1.6330588917	 1.1134214099	 2.0502746736	-0.335257
+C	 1.6922236147	-1.3537252025	 2.4263173145	 0.048356
+O	 2.1214122584	-2.4649992949	 2.237060556	-0.257334
+H	 0.7852505134	-1.6287037666	-0.930534811	 0.137217
+H	 0.3665466973	-0.1097656309	-1.7302704444	 0.124507
+H	 2.0620571311	-0.5281136402	-1.4577356749	 0.125158
+H	-0.0442512292	 0.0902724733	 0.7223816392	 0.092795
+H	 1.0501201723	 2.4410174409	 0.4596156093	 0.08162
+H	 3.2156770666	 1.3945011285	-0.8525842279	 0.103468
+H	 3.6509804503	 2.2099126543	 0.6603040775	 0.1135
+H	 3.6582909691	-0.7702907881	 0.2202141878	 0.119701
+H	 4.1121239638	 0.0923370435	 1.6992515449	 0.115396
+H	 1.0305288127	-1.1109473294	 3.2868998512	 0.092284
+19
+0 3041	2.5969777	1.5556016	1.3340523	2.0611	75.39	-0.25027	-0.02758	0.22269	1034.2019	0.157903	-422.569432	-422.561286	-422.560342	-422.602192	31.243
+O	-2.4172133494	 0.8290564451	 0.6270934374	-0.44516
+C	-1.0839706269	 1.2067217169	 0.8311870039	 0.130623
+C	-0.0335622431	 0.6205919222	-0.1427992923	-0.062063
+C	 0.9964281326	 0.8511174143	 1.0062581946	-0.291853
+C	-0.2264731305	 0.4688849776	 1.9002124296	 0.209375
+C	-0.4397687425	-1.0198720571	 1.5162205019	-0.255548
+C	-0.2958096332	-0.8933792455	-0.0363803059	-0.210054
+C	-0.3349670379	 0.8187825561	 3.3424565558	 0.03407
+O	-1.2634482583	 1.4391117454	 3.8085641664	-0.265115
+H	-2.9200967064	 1.1396446226	 1.3882947325	 0.294417
+H	-0.9794153673	 2.2940786067	 0.9348329553	 0.07589
+H	 0.1190518069	 1.043043298	-1.1355560706	 0.068998
+H	 1.8706739419	 0.1972148972	 1.0387722199	 0.102538
+H	 1.2963215518	 1.8956085294	 1.1153127577	 0.109116
+H	 0.31115205	-1.6731148936	 1.9690008941	 0.099145
+H	-1.4311546504	-1.3674509621	 1.8125389218	 0.115728
+H	 0.5350190338	-1.4829596788	-0.4327401838	 0.095693
+H	-1.2111912234	-1.1873111572	-0.5523729702	 0.120234
+H	 0.4949946322	 0.4627685028	 3.9960330021	 0.073967
+19
+0 3042	2.5707999	1.5606746	1.223288	1.6198	76.12	-0.27778	0.00532	0.2831	1078.7666	0.156744	-422.540382	-422.532	-422.531056	-422.57353	31.547
+C	-2.0835619385	 1.4175062422	 1.9699766987	-0.433162
+C	-2.1880719922	 1.933408368	 0.5450037014	 0.002852
+C	-1.7493995017	 3.3880069667	 0.1572173949	-0.074804
+C	-1.7286143068	 2.9113607304	-1.3264896153	-0.28031
+C	-1.0288302315	 1.8189438652	-0.4977902976	 0.437867
+C	-0.2578332824	 2.9389877332	 0.2469790353	-0.280407
+O	-0.5097321885	 0.6527215025	-1.1114125507	-0.264073
+C	 0.2258773503	-0.1861836194	-0.365084808	 0.14927
+O	 0.4820318111	-0.0748207017	 0.8014883248	-0.297408
+H	-2.2026215355	 0.330120351	 1.9924206479	 0.125661
+H	-1.1294986983	 1.645864972	 2.4464665851	 0.133482
+H	-2.8838115979	 1.8513880723	 2.5801626988	 0.109828
+H	-3.1592446373	 1.6606173193	 0.1157689592	 0.067854
+H	-2.173825631	 4.3148506206	 0.534939183	 0.086095
+H	-2.6902608695	 2.6486002652	-1.7738850865	 0.09712
+H	-1.095345125	 3.478643832	-2.0120190462	 0.096988
+H	 0.1499630498	 2.7040460194	 1.2270730583	 0.118566
+H	 0.4495601065	 3.512676525	-0.3568297099	 0.095898
+H	 0.5666567483	-1.0126011038	-1.0084719531	 0.108684
+19
+0 3043	2.81645	1.2832423	1.0530576	2.816	76.24	-0.24295	-0.02559	0.21736	1183.8173	0.154639	-422.505852	-422.496945	-422.496001	-422.540186	32.696
+C	-2.1736265231	 1.3196317702	-1.7035262166	-0.44171
+C	-2.3698599176	 1.9466047487	-0.3365790232	 0.005517
+C	-1.9471817669	 3.4234856761	-0.1103648787	 0.037002
+C	-1.8812677872	 3.1719311759	 1.4115374809	-0.268668
+C	-1.1735619894	 2.0086039161	 0.6715106733	 0.388795
+C	-0.3108362833	 0.9074301092	 1.2336473453	-0.414753
+C	 0.3927814804	 0.1038730182	 0.154856368	 0.160625
+O	 0.3044264859	-1.0909801272	 0.0352081468	-0.242265
+O	-0.5217815749	 3.021334628	-0.2066343732	-0.347374
+H	-2.168999322	 0.2266420491	-1.6391433407	 0.131499
+H	-2.9879612421	 1.6051119793	-2.3779550019	 0.116244
+H	-1.2298325926	 1.6470492051	-2.1448724949	 0.135763
+H	-3.3272955466	 1.6695507627	 0.1172662058	 0.07243
+H	-2.2473320342	 4.320833699	-0.6512137181	 0.097369
+H	-1.2133109962	 3.8375554585	 1.9593600681	 0.107671
+H	-2.8111254478	 2.9573964201	 1.9441019027	 0.097922
+H	 0.4610394681	 1.3678905087	 1.8660908492	 0.132745
+H	-0.9098597432	 0.2301711421	 1.8491548795	 0.129539
+H	 1.0194567027	 0.7111585204	-0.5322661624	 0.101648
+19
+0 3044	2.7874923	1.2041707	1.0210893	2.7548	76.21	-0.24571	-0.02108	0.22463	1214.1326	0.155836	-422.522064	-422.513327	-422.512383	-422.556269	32.457
+O	-2.1746987078	 1.2889974872	 1.5752861936	-0.446379
+C	-2.2562900978	 1.9230419346	 0.3282602504	 0.153222
+C	-1.9590552505	 3.4401180148	 0.1493454755	-0.09938
+C	-1.806614682	 3.1253872938	-1.3651645871	-0.266856
+C	-1.0250404843	 1.9871402525	-0.6444753742	 0.284589
+C	-0.2819570704	 0.8322286042	-1.2838838401	-0.413067
+C	 0.322251187	-0.1020967561	-0.2527372553	 0.146753
+O	 1.4818706207	-0.4273209707	-0.226633574	-0.242736
+C	-0.4430012883	 3.1050311711	 0.2839831324	-0.287835
+H	-1.461511799	 1.6806267355	 2.0898610429	 0.286504
+H	-3.1848673401	 1.5654612289	-0.1260253099	 0.083565
+H	-2.4930579237	 4.2784737246	 0.5963513217	 0.080117
+H	-2.7120329549	 2.8367536201	-1.9073651854	 0.094681
+H	-1.1992345343	 3.8272941965	-1.9402099258	 0.101063
+H	-0.9940114944	 0.2454825477	-1.8833176314	 0.121956
+H	 0.5152308875	 1.1803951769	-1.9486550864	 0.120914
+H	-0.3989977767	-0.4750354548	 0.5069683538	 0.096417
+H	-0.0603598506	 2.808429434	 1.2659774713	 0.083479
+H	 0.2525245495	 3.8064084593	-0.1841472621	 0.102994
+19
+0 3045	2.3758149	1.9636173	1.6816252	0.8178	74.37	-0.23999	0.05602	0.29601	925.3225	0.158318	-422.476729	-422.46957	-422.468626	-422.507704	29.548
+C	 1.1972884117	-0.3790728104	 1.0308999387	-0.447124
+C	 1.2348834534	 0.263143519	-0.3456601112	-0.01624
+C	 2.1359728545	-0.3190228672	-1.4551374105	 0.074348
+C	 1.9660172733	 1.0724746975	-2.2082855012	-0.332878
+C	 2.1091352515	 1.5077355903	-0.7268173654	 0.377803
+O	 2.2477646583	 2.6399246737	 0.1487546729	-0.357961
+C	 3.346789531	 1.9277086862	 0.831389209	-0.175648
+C	 3.5152406519	 1.0612336924	-0.4606743798	 0.078061
+O	 3.4513256276	-0.3259970581	-0.8059695244	-0.298135
+H	 0.5025509205	-1.226080078	 1.0328812796	 0.113588
+H	 2.1796400994	-0.7510920138	 1.3284790723	 0.135402
+H	 0.8445400652	 0.3328411979	 1.7846149075	 0.126186
+H	 0.21996534	 0.4267917003	-0.7204595588	 0.079188
+H	 1.9627289958	-1.2696730923	-1.9539334313	 0.093767
+H	 2.7459473487	 1.3894950872	-2.9020107971	 0.109621
+H	 0.975101354	 1.1446074562	-2.6591020358	 0.110955
+H	 4.1717343684	 2.6064678718	 1.0596165163	 0.116184
+H	 2.9970834287	 1.4257746095	 1.7351741376	 0.120648
+H	 4.2642890961	 1.5510430178	-1.0913032885	 0.092235
+19
+0 3046	2.5737554	1.8669445	1.439453	1.0949	74.76	-0.24709	0.05237	0.29946	974.6621	0.157776	-422.473845	-422.466467	-422.465523	-422.505151	29.872
+C	 0.8518151764	-0.5982400929	-0.8842200157	-0.436266
+C	 0.9929213577	 0.1597675226	 0.4277231049	 0.013155
+C	 2.100198969	-0.3091502375	 1.3871652046	 0.043975
+C	 1.8348366013	 0.6530706257	 2.6089036295	-0.319488
+C	 1.9394024401	 1.9476466829	 1.7631352952	 0.133373
+O	 0.9509307493	 2.907389579	 1.2329346618	-0.312295
+C	 1.5458789017	 2.7214036957	-0.0998235449	-0.210976
+C	 1.9921064374	 1.3370906182	 0.398044147	 0.373255
+O	 3.0924191446	 0.3777264237	 0.5036593091	-0.376202
+H	 0.3333844128	-1.5499687818	-0.7269781994	 0.115569
+H	 0.2637010779	-0.0218595473	-1.606688165	 0.115741
+H	 1.8306802771	-0.8055904635	-1.3222807843	 0.137283
+H	 0.0195593267	 0.3711681184	 0.8788375367	 0.081203
+H	 2.3587415189	-1.351565241	 1.5711926617	 0.086065
+H	 0.8649732222	 0.4414985624	 3.0637835489	 0.123323
+H	 2.6045609906	 0.6184592091	 3.381740767	 0.112192
+H	 2.8438418655	 2.5099444713	 2.0198877682	 0.086577
+H	 0.796459241	 2.7689616668	-0.8943053941	 0.117255
+H	 2.3530524598	 3.4420298183	-0.2784817612	 0.116262
+19
+0 3047	2.5178448	1.8679367	1.4567871	2.2019	74.74	-0.23209	0.06253	0.29462	964.1744	0.158295	-422.49414	-422.486704	-422.48576	-422.52556	30.23
+O	-0.7303318716	 0.1997109908	 0.4302326642	-0.459153
+C	-2.1326080927	 0.3074200506	 0.4346906473	 0.159019
+C	-2.9057913239	 0.3521942484	-0.9096118149	 0.061911
+C	-2.4569371951	 1.8618042969	-1.0203965735	-0.379377
+C	-2.7213542877	 1.7581344199	 0.5164695626	 0.215961
+C	-2.9082762014	 2.4335910665	 1.8963435371	-0.357679
+C	-4.1704211193	 1.4963147974	 2.0724050269	-0.291591
+C	-4.1966000665	 1.4327197778	 0.5087231286	 0.150778
+O	-4.2710697407	 0.3382543294	-0.4235526115	-0.298508
+H	-0.3460930765	 1.0322170958	 0.1394569846	 0.285481
+H	-2.5027083827	-0.446226471	 1.1318591574	 0.089215
+H	-2.7814092002	-0.3671877245	-1.7168199451	 0.088774
+H	-1.4213696506	 1.9450863009	-1.3571673004	 0.096511
+H	-3.0884528588	 2.5512377192	-1.5847361491	 0.108689
+H	-2.0919992799	 2.3275904217	 2.6134386061	 0.113332
+H	-3.1965176553	 3.4861032147	 1.8322398885	 0.112876
+H	-3.9165791025	 0.5524504816	 2.5549435722	 0.123349
+H	-5.0484658761	 1.9263810837	 2.5570848379	 0.103564
+H	-4.8275913285	 2.2519469002	 0.1406260911	 0.076849
+19
+0 3048	2.9161171	1.6589987	1.3310694	2.4333	75.03	-0.24618	0.06776	0.31394	996.6224	0.158836	-422.49323	-422.486012	-422.485068	-422.524328	29.661
+O	-0.8589001227	 0.470951199	 0.9025326425	-0.446162
+C	-1.6964240965	-0.3365724275	 0.1111895049	 0.033764
+C	-2.8530300846	-1.0804288099	 0.9371452659	-0.073277
+C	-3.5711852833	 0.2925601208	 0.932534734	-0.247647
+C	-2.9326276686	 0.38075786	-0.4753200361	 0.285721
+C	-3.6064314415	 1.2484720412	-1.5507051884	-0.228171
+O	-4.5803304784	 0.1700745227	-1.7599758997	-0.315971
+C	-3.5973270386	-0.7635551829	-1.2199053927	 0.155342
+C	-3.7298346111	-1.8347725076	-0.1085813734	-0.294397
+H	-0.2878105046	-0.1062871078	 1.4195666843	 0.286109
+H	-1.1118930428	-0.9438509916	-0.5945221373	 0.064374
+H	-2.5982190886	-1.5995002593	 1.863628286	 0.060926
+H	-4.6610376905	 0.2961461038	 0.9990404612	 0.100931
+H	-3.1278702637	 1.0121996183	 1.6194449735	 0.113438
+H	-4.0860273832	 2.1756724641	-1.2260998959	 0.113164
+H	-3.0135540733	 1.4229759814	-2.4579000168	 0.104038
+H	-3.001713332	-1.1483166133	-2.0604096532	 0.071039
+H	-4.7459085705	-1.9862684525	 0.265319098	 0.119822
+H	-3.3331974955	-2.8019217687	-0.4298027368	 0.096958
+19
+0 3049	2.778849	1.703052	1.3440026	2.3938	74.39	-0.24078	0.06072	0.3015	996.3961	0.158609	-422.493499	-422.486151	-422.485207	-422.524788	29.985
+O	 0.358274012	-0.2356635145	 0.4939686495	-0.444871
+C	-0.7664731306	 0.5455040897	 0.2077849294	 0.089602
+C	-2.1796927706	-0.1059578654	 0.6133744973	-0.063345
+C	-1.9264455011	 0.4680517802	 2.0339237082	-0.324552
+C	-1.3150333955	 1.618343165	 1.1937768876	 0.414921
+O	-1.0220515826	 2.9009363037	 1.7670290834	-0.360908
+C	-2.4073321331	 3.2953682656	 1.4756751792	-0.17053
+C	-2.4855842586	 2.1752733552	 0.402585946	-0.020608
+C	-3.2895398698	 0.876704382	 0.1234542177	-0.280089
+H	 0.3547131566	-0.4782171324	 1.4254382176	 0.285803
+H	-0.6442054231	 0.8744222178	-0.8272906455	 0.087799
+H	-2.3128221366	-1.1743138988	 0.4473006368	 0.076941
+H	-2.7967139576	 0.6797612776	 2.6592407402	 0.09976
+H	-1.1900433673	-0.0825544216	 2.6247362654	 0.087364
+H	-3.0466442663	 3.1613469553	 2.3563210466	 0.10615
+H	-2.4631082427	 4.3288780981	 1.125466668	 0.11362
+H	-2.1296150452	 2.6098026708	-0.5359801995	 0.092534
+H	-4.2089711321	 0.7523175486	 0.703557922	 0.108027
+H	-3.5426806761	 0.7734454431	-0.9347826398	 0.102383
+19
+0 3050	2.5324588	1.8874784	1.4443862	1.6231	74.71	-0.24893	0.06902	0.31795	966.2676	0.158763	-422.498335	-422.491204	-422.49026	-422.529331	29.782
+O	 0.4838459666	 0.6781051972	 0.5934597593	-0.465634
+C	-0.8429444537	 0.7310452337	 1.0345581827	 0.164763
+C	-1.8461519754	-0.187787232	 0.3134674625	 0.003312
+C	-3.1624041688	 0.1289177386	 1.1042946861	-0.304229
+C	-3.0867785962	 1.6704671111	 0.9149247093	 0.013129
+C	-2.6418142833	 2.9416763714	 1.7257601159	-0.27798
+C	-1.6495982415	 3.2577660306	 0.5262388346	-0.358831
+C	-1.7292355017	 1.7525570291	 0.270650074	 0.394219
+O	-1.7802145173	 0.7727410695	-0.8290301549	-0.393869
+H	 0.4380818556	 0.673893485	-0.3723598399	 0.286217
+H	-0.8261357897	 0.7349565585	 2.1270154884	 0.083185
+H	-1.6211706069	-1.211778222	 0.016552136	 0.085861
+H	-4.0568797199	-0.3009575205	 0.6502227131	 0.11037
+H	-3.0855781859	-0.2394030356	 2.131515379	 0.110747
+H	-3.8453164606	 1.9968753369	 0.1980634917	 0.087982
+H	-3.4129874969	 3.6859482459	 1.9274493823	 0.109176
+H	-2.1037533354	 2.720714576	 2.6492847412	 0.116696
+H	-2.1474633798	 3.8579930522	-0.2394564935	 0.119886
+H	-0.6677839391	 3.6791874244	 0.7509555022	 0.114999
+19
+0 3051	3.634579	1.4518769	1.2765596	1.1018	75.19	-0.24665	0.07682	0.32347000000000004	1043.0887	0.157836	-422.476269	-422.468655	-422.467711	-422.508404	29.77
+C	 3.0489380836	-0.5771473852	-1.2076876295	-0.437325
+C	 2.6206037423	 0.0170955203	 0.1228398535	-0.042028
+C	 1.2234938229	-0.3798916307	 0.8044533236	-0.135639
+C	 0.5020301433	 0.5055320424	-0.2312711353	-0.303109
+C	 1.7560056797	 1.3117020563	 0.2499247088	 0.403533
+O	 1.842009014	 2.7028029167	 0.228252684	-0.333601
+C	 0.958551495	 3.0803498233	 1.3135089065	 0.000901
+O	 0.5210822021	 1.9096641801	 2.0351599561	-0.295739
+C	 1.4559917106	 0.9098730738	 1.6677042618	 0.096735
+H	 3.3735605296	-1.6142762864	-1.0713589542	 0.121637
+H	 2.2612941164	-0.5702848437	-1.9638918296	 0.124487
+H	 3.9002058149	-0.0183941606	-1.6104206689	 0.128835
+H	 3.4577630706	-0.0091833497	 0.8292925041	 0.077739
+H	 0.9483387007	-1.3776092497	 1.1403872566	 0.085125
+H	 0.4828653992	 0.1625259754	-1.2642045039	 0.094186
+H	-0.4629603667	 0.9057828558	 0.0766114941	 0.112751
+H	 1.5171721828	 3.7566392356	 1.9732971556	 0.112827
+H	 0.0654930291	 3.5772728249	 0.9186136687	 0.118058
+H	 2.2847984199	 0.8577966914	 2.3824734282	 0.070626
+19
+0 3052	3.7288486	1.453193	1.283439	2.2087	75.64	-0.23516	0.07717	0.31233	1041.5899	0.157488	-422.476598	-422.469071	-422.468127	-422.508137	30.014
+C	-0.1370937282	 0.0342905509	 0.1829821857	-0.423393
+C	 1.3584070841	-0.0595102062	-0.0436456592	-0.083903
+C	 2.2966949899	-0.2659938374	 1.2111960327	-0.021495
+O	 1.9918522998	 1.101780422	 1.6361985868	-0.343549
+C	 2.2595615864	 1.1934296384	 0.1628806464	 0.388209
+C	 2.7897926012	 2.5382184659	-0.2377058869	-0.386997
+C	 4.1141347558	 2.5048600128	 0.6002086932	-0.058601
+O	 4.4883921221	 1.1240828158	 0.8291693533	-0.282486
+C	 3.4751930045	 0.2909112883	 0.3488383619	 0.129755
+H	-0.3501327072	 0.6320156643	 1.0710992371	 0.139665
+H	-0.6329446903	 0.4952042041	-0.6778150238	 0.11733
+H	-0.5704145587	-0.962515409	 0.3167594352	 0.116746
+H	 1.6134293521	-0.6602796502	-0.9235904306	 0.076012
+H	 2.2594408208	-1.0545323879	 1.9642206083	 0.094739
+H	 2.989255616	 2.5732217572	-1.3130492991	 0.116523
+H	 2.1566516215	 3.3835679894	 0.0388578884	 0.123882
+H	 4.9414079784	 3.0032467661	 0.0843984419	 0.103768
+H	 3.9560086769	 2.9859211355	 1.5696453006	 0.122909
+H	 3.8192911647	-0.34120437	-0.4775461621	 0.070885
+19
+0 3053	2.9778191	1.5185736	1.3987629	1.3874	75.27	-0.24439	0.06592	0.31031	1018.0257	0.157333	-422.460811	-422.453117	-422.452172	-422.492789	30.189
+C	 2.2603622959	 1.5080945683	-0.8908057871	-0.439837
+C	 1.6228606772	 0.1740616785	-0.5522106562	-0.004092
+C	 1.9303212007	-0.4941716569	 0.8006653644	-0.018131
+O	 3.3426476923	-0.7450558776	 0.3330052855	-0.369768
+C	 2.4384556504	-1.1415102912	-0.771490036	 0.385124
+C	 2.4893994472	-2.0022934552	-2.0020907623	-0.189969
+O	 1.1638113854	-2.574639279	-1.99237943	-0.29068
+C	 0.4804144961	-2.4169226417	-0.7072325948	-0.118837
+C	 1.5638280088	-1.9005011448	 0.223458883	-0.0432
+H	 1.7285475864	 2.3272178544	-0.3947105412	 0.116299
+H	 3.304763018	 1.5285973401	-0.5746309448	 0.140272
+H	 2.2154302619	 1.6965763698	-1.9688582464	 0.117804
+H	 0.5767022528	 0.1294269714	-0.8643622142	 0.080455
+H	 1.8350057617	-0.1149684592	 1.8190830915	 0.094862
+H	 2.6140557098	-1.4616193681	-2.9451993923	 0.113194
+H	 3.2600332094	-2.7812508956	-1.9240100154	 0.112225
+H	-0.3742171917	-1.7464961194	-0.8456610156	 0.109704
+H	 0.1020461029	-3.3996486483	-0.411563213	 0.108956
+H	 2.1124656247	-2.6953743455	 0.7313541349	 0.095619
+19
+0 3054	3.6185466	1.4124329	1.2460175	1.3839	74.85	-0.25043	0.06841	0.31884	1042.54	0.158611	-422.489889	-422.482426	-422.481482	-422.521581	29.876
+O	 0.5000973145	 0.1752508135	 0.97936164	-0.440751
+C	-0.8183996286	 0.6081104703	 0.8554725089	 0.087716
+C	-1.749288318	 0.7970312205	 2.13218225	-0.157486
+C	-1.8897323081	-0.7421783673	 2.1776774213	-0.292313
+C	-2.0227911129	-0.3726754843	 0.6560300906	 0.267442
+C	-2.8764716019	-1.160033191	-0.3082844222	-0.395198
+C	-4.2941615624	-0.8662181886	 0.3146102223	-0.069513
+O	-4.1810600115	 0.2237124937	 1.2681047787	-0.289018
+C	-2.9080577808	 0.797603422	 1.0916065181	 0.141992
+H	 0.5362839556	-0.568671839	 1.5892962472	 0.28556
+H	-0.7895062064	 1.4568345521	 0.1669757198	 0.089304
+H	-1.5770061218	 1.4823729076	 2.9625636671	 0.077261
+H	-1.0173804686	-1.3304928198	 2.4787714629	 0.070899
+H	-2.7861519396	-1.1258742054	 2.6626780855	 0.119226
+H	-2.8077734143	-0.7621073043	-1.3254943537	 0.113941
+H	-2.6678369441	-2.2320776391	-0.3445387839	 0.109853
+H	-5.0198117015	-0.5929467101	-0.4605316863	 0.106926
+H	-4.6848575688	-1.7338190756	 0.8561776543	 0.111259
+H	-2.955256661	 1.6792883246	 0.4386186895	 0.062901
+19
+0 3055	3.5914422	1.3926407	1.229203	1.1935	74.98	-0.24498	0.06588	0.31086	1048.8513	0.158796	-422.488184	-422.480722	-422.479777	-422.519901	29.785
+O	-0.7071788084	 0.6612019869	 0.0425442173	-0.444004
+C	-1.7231479627	 0.2935278802	 0.9217916646	 0.100464
+C	-3.1494083287	 0.9871367811	 0.8948160746	-0.136625
+C	-2.4953219252	 2.2100323818	 1.5828555408	-0.289776
+C	-1.9114284557	 0.9606746839	 2.3257893808	 0.257035
+C	-1.5095652553	 0.9586255286	 3.7746553294	-0.199057
+O	-2.7626188795	 1.1767808696	 4.4566749247	-0.284018
+C	-3.9072289809	 0.9296155665	 3.5977193993	-0.119922
+C	-3.3361244216	 0.3512577447	 2.3086209924	-0.013928
+H	-0.6505179028	 1.6210825227	-0.0028873482	 0.285662
+H	-1.7397527043	-0.7991448805	 0.9210602314	 0.091305
+H	-3.8547848499	 0.9878674322	 0.0626907124	 0.077543
+H	-1.7987539712	 2.8157307822	 0.9946251474	 0.074075
+H	-3.1479060417	 2.8709329032	 2.152200459	 0.114294
+H	-1.0694150892	-0.003229021	 4.0759107171	 0.09869
+H	-0.8277062814	 1.7638547049	 4.0663198508	 0.106727
+H	-4.5653601724	 0.2155844706	 4.103754237	 0.102075
+H	-4.4618763181	 1.8665391023	 3.47368995	 0.103381
+H	-3.3652887311	-0.7431155499	 2.3079082591	 0.076079
+19
+0 3056	3.4822269	1.4408574	1.2542197	2.3001	74.82	-0.24255	0.06905	0.3116	1043.2997	0.158449	-422.489838	-422.482319	-422.481375	-422.521675	30.093
+O	 0.4539267939	 0.1188741768	 0.9992350698	-0.443019
+C	-0.8546714483	 0.5771792977	 0.884016816	 0.110445
+C	-1.7422528985	 0.9227507754	 2.1719087012	-0.149666
+C	-1.8887335403	-0.597742797	 2.4020449084	-0.326358
+C	-2.0990147773	-0.3617494155	 0.8594692561	 0.382773
+O	-2.7597240559	-1.2157210928	-0.005765266	-0.325029
+C	-4.1744144166	-0.9183289451	 0.1632137571	-0.083296
+C	-4.3317291114	 0.2065376957	 1.2537216197	-0.323797
+C	-2.951472544	 0.8645000142	 1.1823551705	 0.000987
+H	 0.4753487941	-0.6596950048	 1.5647099655	 0.287428
+H	-0.8405549813	 1.3574480204	 0.119375218	 0.091299
+H	-1.5122488284	 1.6845463657	 2.9135937494	 0.083947
+H	-1.0009391431	-1.1482513821	 2.7255710258	 0.075558
+H	-2.7508168672	-0.9345394706	 2.9769512965	 0.100514
+H	-4.5627198155	-0.5884197715	-0.8071132686	 0.111189
+H	-4.6943267741	-1.8393671919	 0.4455160404	 0.111086
+H	-5.1457383138	 0.887728028	 0.9960791579	 0.107026
+H	-4.5665164116	-0.2309024429	 2.2256521268	 0.116171
+H	-2.9266192807	 1.6432209304	 0.4125173955	 0.07274
+19
+0 3057	2.4430812	1.8352148	1.5503783	1.748	74.82	-0.23556	0.057	0.29256	957.0528	0.157893	-422.477046	-422.469336	-422.468391	-422.50896	30.615
+O	 0.7656664458	-0.1169220488	 0.8328108354	-0.428243
+C	-0.4884500722	 0.4966787089	 0.9642596795	 0.08345
+C	-1.4920311217	 0.1288644303	 2.0881522991	-0.064001
+O	-2.1104424442	 1.4695627855	 1.829847442	-0.367912
+C	-0.6394732945	 1.7067663195	 1.9294261107	 0.406925
+C	 0.2785487531	 2.8763328225	 2.1312913625	-0.371399
+C	 1.4473855968	 2.1471955892	 2.9052214349	-0.195065
+C	 0.9005226966	 0.7891255762	 3.5257521755	-0.274847
+C	-0.5907753086	 0.8215762422	 3.1651948694	 0.005545
+H	 0.6795350818	-0.8460394048	 0.2115098221	 0.291597
+H	-0.977999575	 0.6690976499	-0.0001220524	 0.084145
+H	-2.1929253889	-0.7033548414	 2.1736663769	 0.085466
+H	 0.6281277575	 3.3619945766	 1.2170413289	 0.10746
+H	-0.2034112801	 3.6298220106	 2.7623872303	 0.11682
+H	 2.2575597078	 1.9242897278	 2.2077347656	 0.120223
+H	 1.8574651752	 2.8037919703	 3.6764256979	 0.102393
+H	 1.436631508	-0.0535982318	 3.0953444172	 0.125439
+H	 1.0435510426	 0.7646340575	 4.6087664838	 0.09267
+H	-1.21266126	 1.2210637298	 3.9707995808	 0.079334
+19
+0 3058	2.6071961	1.4770407	1.2503905	2.0036	75.25	-0.23144	-0.00901	0.22243000000000002	1079.6704	0.157544	-422.570015	-422.561775	-422.56083	-422.602398	31.996
+C	-0.7944252263	 2.3378173536	 1.2761992719	-0.422579
+C	-1.0120468327	 1.349987091	 0.130037562	-0.093235
+C	-2.3182553151	 0.5236333288	 0.105007852	-0.050668
+C	-2.0013242168	-0.5289273494	-0.9981405611	-0.250242
+C	-0.9596280167	-1.0433958178	 0.0531057022	-0.178834
+C	-2.0296079959	-0.6031185889	 1.132109323	 0.138437
+O	-3.1356760241	-1.4622231831	 1.2636149932	-0.441531
+C	-0.0289629998	 0.1506155249	 0.1457718177	 0.427006
+O	 1.1683914456	 0.1829849911	 0.2579014189	-0.348044
+H	-0.9716382798	 1.8803084801	 2.2542916427	 0.120703
+H	 0.2376376245	 2.6993903218	 1.2616660215	 0.139789
+H	-1.4630257553	 3.1990226628	 1.1832011367	 0.117794
+H	-0.8924400035	 1.8809272326	-0.8233188849	 0.099716
+H	-3.2642053905	 1.0641588708	 0.1323739162	 0.075553
+H	-2.8095547315	-1.2428677674	-1.142152044	 0.126991
+H	-1.6205089805	-0.1685030353	-1.9573702305	 0.099566
+H	-0.5095318717	-2.0346102712	 0.0342216115	 0.075893
+H	-1.6407901688	-0.3127362784	 2.1163317894	 0.07484
+H	-2.859137101	-2.233943966	 1.7679716415	 0.288847
+19
+0 3059	2.940374	1.4200146	1.1842065	2.4988	75.28	-0.23408	-0.01548	0.21860000000000002	1101.0145	0.157695	-422.568941	-422.56072	-422.559776	-422.601363	31.823
+C	-2.672413564	-1.4699918913	 1.7208342621	-0.433231
+C	-1.6216617606	-0.5225579262	 1.1556957559	 0.022693
+C	-2.0441373106	 0.4029191381	-0.0318664645	-0.053238
+C	-1.7431965574	-0.7902716674	-0.9812657616	-0.247572
+C	-0.6309337749	-1.1162417899	 0.0835250367	-0.14589
+C	 0.2503060796	 0.0887259306	-0.1524706638	 0.397678
+O	 1.4286773218	 0.1799413132	-0.3812724756	-0.354133
+C	-0.7762289821	 1.256411729	-0.1818157685	 0.051416
+O	-0.708192299	 1.9633286479	-1.4010906972	-0.450872
+H	-2.2109524142	-2.1904396319	 2.404004461	 0.124001
+H	-3.42088249	-0.9074827034	 2.2892099699	 0.123448
+H	-3.2002154652	-2.0358285035	 0.9489875727	 0.123575
+H	-1.1305624938	-0.003833199	 1.9884963701	 0.075428
+H	-2.9994451844	 0.9270912486	-0.0406478889	 0.075533
+H	-2.5266498856	-1.5462789765	-1.003021789	 0.112546
+H	-1.423636376	-0.5515939242	-1.9971150421	 0.120607
+H	-0.1526899866	-2.0898667223	 0.173697475	 0.08178
+H	-0.6344349233	 1.9299837109	 0.6781448984	 0.082914
+H	 0.2293206262	 2.067426267	-1.6078633006	 0.293317
+19
+0 3060	2.8989495	1.4433812	1.1773789	2.9589	75.42	-0.22939	-0.01794	0.21145	1116.3251	0.15663	-422.557416	-422.549014	-422.54807	-422.590065	31.931
+C	-2.7521562214	 1.5572008025	-1.7175636489	-0.428462
+C	-1.6416881014	 0.6247072365	-1.2578914388	 0.003375
+C	-2.0068815407	-0.3536085848	-0.1093565096	 0.058687
+O	-1.8038425048	 0.7433594787	 0.8490852705	-0.302187
+C	-0.762427223	 1.1663728195	-0.0928798677	-0.051447
+C	 0.235278552	 0.016895085	 0.108687827	 0.446829
+O	 1.4254035557	 0.0388878811	 0.2536506823	-0.335453
+C	-0.733297114	-1.1964886594	 0.1107422385	-0.1051
+C	-0.6937425674	-1.9974609023	 1.4112625369	-0.417404
+H	-3.2669256289	 1.9972428877	-0.8600651981	 0.14045
+H	-2.3509466846	 2.3673535397	-2.3347241118	 0.122442
+H	-3.4876540688	 1.0132523789	-2.3198278415	 0.119947
+H	-1.1035214426	 0.1877223861	-2.1064954539	 0.081237
+H	-2.9819748556	-0.8355690833	-0.0268815158	 0.084913
+H	-0.4261035471	 2.1965327673	 0.0102095761	 0.096212
+H	-0.5067390519	-1.8432124327	-0.745279415	 0.096403
+H	-1.3549828792	-2.8681872181	 1.3590912202	 0.114803
+H	 0.3230491159	-2.3499742798	 1.6063135741	 0.136997
+H	-1.0064848621	-1.3718886127	 2.2516053855	 0.137756
+19
+0 3061	2.2407725	1.7127539	1.5685919	2.547	74.62	-0.23934	-0.01624	0.2231	989.5993	0.1577	-422.565069	-422.557012	-422.556067	-422.597566	30.872
+C	-1.719037718	-0.5830566409	-2.4721839388	-0.428066
+C	-1.9875525753	-1.1264895706	-1.0785249767	 0.00816
+C	-2.7093300112	-0.257852838	-0.0082613302	 0.11541
+C	-1.9612522272	-1.0826179984	 1.0679560718	-0.271984
+C	-0.8432026365	-1.2734401813	-0.0081383946	-0.149165
+C	-0.0230120368	-0.0075104744	-0.0190899173	 0.385126
+O	 1.1800931914	 0.0421994313	-0.0998850198	-0.327445
+C	-0.8653787844	 1.26861323	 0.1234157026	-0.181421
+O	-2.2677195427	 1.0907307145	-0.0499533046	-0.273077
+H	-1.0270256094	-1.2324175651	-3.0183578108	 0.125299
+H	-2.6498191772	-0.528485307	-3.0465587429	 0.122055
+H	-1.2909831641	 0.422292563	-2.4486373674	 0.13089
+H	-2.4995208195	-2.0928228363	-1.1425942271	 0.085204
+H	-3.7996103746	-0.2134039493	-0.0000915231	 0.081479
+H	-1.7059178041	-0.5862405025	 2.0070370893	 0.111157
+H	-2.4691310437	-2.0257013977	 1.2789552788	 0.115291
+H	-0.2083195821	-2.1598036103	-0.005737428	 0.082189
+H	-0.6592314725	 1.681732755	 1.1225783133	 0.130681
+H	-0.5121131421	 2.0048519081	-0.6058246443	 0.138216
+19
+0 3062	2.2893619	1.7077683	1.5780463	4.5354	74.63	-0.25704	0.01706	0.2741	986.4868	0.159104	-422.593677	-422.585959	-422.585014	-422.625626	30.064
+C	-1.6776148646	-0.4980356974	-2.4491445162	-0.440872
+C	-1.9812198086	-1.0764419103	-1.0750867026	 0.035172
+C	-2.7280571687	-0.2560581422	 0.0200541986	-0.058542
+C	-1.9895473006	-1.1228657869	 1.0713236688	-0.242686
+C	-0.8617194624	-1.2422800131	 0.0051507128	-0.162996
+C	-0.0215202072	 0.0162817179	 0.0578461954	 0.432087
+O	 1.1773851953	 0.0478396374	 0.059616779	-0.338734
+O	-0.7253894734	 1.1827886826	 0.1117898625	-0.241342
+C	-2.1681150528	 1.1572782484	 0.0813464684	-0.075917
+H	-1.0578912252	-1.1900116064	-3.0288150626	 0.127935
+H	-2.6025103781	-0.3328211861	-3.0127859231	 0.118252
+H	-1.1427237223	 0.4542686752	-2.3922721226	 0.139086
+H	-2.4829760996	-2.0438398432	-1.1842071961	 0.08306
+H	-3.820748341	-0.2291438128	 0.0131975941	 0.07408
+H	-1.7399087079	-0.66698804	 2.0329113163	 0.111652
+H	-2.482573188	-2.0832107146	 1.2360171874	 0.109828
+H	-0.2081124361	-2.1129545988	-0.014249837	 0.091169
+H	-2.5120973454	 1.6744112855	 0.9841451429	 0.119607
+H	-2.4773938535	 1.7482839249	-0.787926266	 0.119161
+19
+0 3063	2.5748481	1.5998521	1.2368129	2.9756	74.64	-0.22821	-0.01766	0.21055	1073.4348	0.15781	-422.572109	-422.56407	-422.563126	-422.604645	30.78
+C	-2.5138894715	-2.7010320671	-1.3554442001	-0.432255
+C	-1.930555717	-1.3146224338	-1.1205538762	 0.008948
+C	-2.7362013266	-0.4233108627	-0.1439453895	 0.092116
+C	-2.4026581493	 1.0621577879	-0.3027101416	-0.244324
+C	-0.8922543711	 1.2884468795	-0.0158496569	-0.304663
+C	-0.0587407642	 0.0129106525	-0.1643446939	 0.395288
+O	 1.117849253	-0.0012462683	-0.4302814551	-0.318379
+C	-0.894783791	-1.2446233946	 0.0345283844	-0.026272
+O	-1.9602755198	-0.9520154696	 0.9765610278	-0.301241
+H	-2.8022001399	-3.1626535584	-0.4064477461	 0.136723
+H	-3.4029368191	-2.6448803748	-1.9928633898	 0.119238
+H	-1.7877703878	-3.3546984837	-1.8489837532	 0.124726
+H	-1.6326841829	-0.8443182257	-2.0634348605	 0.08235
+H	-3.8066852122	-0.6205119139	-0.0330726082	 0.079564
+H	-2.6641367163	 1.385946906	-1.3165430196	 0.109082
+H	-3.0064683433	 1.6579377475	 0.3879508253	 0.112227
+H	-0.4509627519	 2.0742055116	-0.6325158385	 0.126512
+H	-0.766567182	 1.5986718062	 1.027994422	 0.146342
+H	-0.299137007	-2.1224604086	 0.2937336097	 0.094019
+19
+0 3064	2.5696031	1.5654854	1.2257564	1.808	74.81	-0.23562	-0.01029	0.22533	1064.1535	0.158547	-422.579958	-422.572057	-422.571112	-422.612233	30.923
+O	-2.7508320984	-2.4491203483	 1.2648493833	-0.450142
+C	-2.0989309194	-1.2122697094	 1.0832317792	 0.153108
+C	-2.8198225999	-0.3997198288	-0.0149283515	-0.020973
+C	-1.9287768081	-1.1407345368	-1.0527265153	-0.249527
+C	-0.8799556417	-1.2907550434	 0.0913318619	-0.159658
+C	-0.0859052259	-0.0135127144	 0.2644093506	 0.402121
+O	 1.0702465836	 0.0073548884	 0.6151261283	-0.330254
+C	-0.8830254737	 1.26205339	-0.0313435883	-0.313847
+C	-2.4186185252	 1.0791379053	 0.0897162601	-0.23579
+H	-2.1773823488	-3.0170873985	 1.7902087883	 0.285956
+H	-1.9221515808	-0.7121494381	 2.0463758315	 0.068738
+H	-3.9025734361	-0.5298599808	-0.0696378106	 0.077582
+H	-2.3467416934	-2.1111641601	-1.3188874991	 0.122815
+H	-1.6305738893	-0.6070238612	-1.9587342395	 0.096866
+H	-0.2301956754	-2.166055487	 0.1409236209	 0.075669
+H	-0.5001109767	 2.0640203352	 0.6037520149	 0.127463
+H	-0.6184968726	 1.5415980971	-1.0591902574	 0.135354
+H	-2.770030097	 1.4766938241	 1.0487226852	 0.108712
+H	-2.9236806711	 1.6559142866	-0.6913475525	 0.105806
+19
+0 3065	2.703501	1.3867306	1.1336697	1.8566	77.95	-0.22526	0.01283	0.23809	1157.4283	0.156019	-422.528767	-422.520045	-422.519101	-422.561774	33.054
+C	-0.8619098576	 1.9941463752	 0.3287712987	-0.519336
+C	-0.5358048807	 0.6953897168	-0.3241398171	 0.239125
+C	 0.1083947686	 0.3877751105	-1.464228285	 0.239127
+C	 0.7463539955	 1.2261629548	-2.5175652472	-0.519335
+C	 0.0059699723	-1.1357785961	-1.4667942326	-0.094542
+O	 0.2880092159	-1.4884721294	-0.0629526539	-0.313669
+C	-0.9270415225	-0.6902511302	 0.184435767	-0.094544
+C	-1.5141371695	-1.3515392801	-1.1181847285	 0.198342
+O	-1.9349751189	-2.6704197692	-1.0001220357	-0.44783
+H	-0.4214415603	 2.0595085224	 1.3316957468	 0.133577
+H	-0.4938896687	 2.8426127448	-0.2550379411	 0.126913
+H	-1.9449623939	 2.1202609841	 0.4531953789	 0.130426
+H	 0.6578823675	 2.2927900614	-2.2925181224	 0.126915
+H	 1.8131608249	 0.992059308	-2.6236617284	 0.133572
+H	 0.2883959082	 1.0539774008	-3.4999198045	 0.130428
+H	 0.5453455899	-1.7339072217	-2.2015155166	 0.078058
+H	-1.3625330504	-0.8228595873	 1.1750224468	 0.078058
+H	-2.2629786198	-0.79977138	-1.6901848973	 0.088716
+H	-1.2453201605	-3.1180251948	-0.4896583178	 0.286
+19
+0 3066	2.6592783	1.5297272	1.2014738	1.2658	76.42	-0.23016	0.00884	0.239	1095.915	0.157646	-422.551695	-422.543663	-422.542719	-422.583782	31.583
+C	 1.3541758619	 0.7046474616	-0.2358264894	-0.504021
+C	-0.0362251908	 0.2336836172	 0.0633720567	 0.366349
+C	-1.1108086064	 1.0157365708	 0.1968377788	-0.177121
+C	-2.452129067	 0.394715181	 0.5259688143	-0.26904
+C	-2.2674991244	-1.1173478039	 0.6866026298	 0.030965
+O	-1.5159297501	-1.6296859895	-0.4618382588	-0.317804
+C	-0.2950416626	-1.2493077639	 0.25692603	-0.079411
+C	-1.0606857744	-1.4885499317	 1.5855822543	 0.184436
+O	-1.0736912381	-2.8201587315	 2.0291373705	-0.457353
+H	 2.0563303069	 0.4035243243	 0.5526435469	 0.127976
+H	 1.7285001929	 0.2652084843	-1.1693623247	 0.130629
+H	 1.3979224498	 1.7932078602	-0.328376113	 0.124258
+H	-1.0533240016	 2.092266889	 0.0586612454	 0.087057
+H	-2.8675079483	 0.8198148902	 1.4500896808	 0.109359
+H	-3.1841729722	 0.6037265766	-0.2658641422	 0.11611
+H	-3.2014370407	-1.6635247492	 0.8487958584	 0.076678
+H	 0.5500658395	-1.8985143324	 0.0132478711	 0.072557
+H	-0.818358638	-0.8581619708	 2.4428914977	 0.090974
+H	-1.2965666063	-3.3651774223	 1.2638562334	 0.287402
+19
+0 3067	2.5496268	1.6553357	1.3034213	1.7639	75.46	-0.23526	-0.00137	0.23389	1044.8803	0.157433	-422.546332	-422.538149	-422.537205	-422.578579	31.807
+C	 0.8671155766	-0.5158252831	-0.8919581054	-0.433499
+C	 1.0121062758	 0.199346017	 0.4431230419	 0.027419
+C	 2.151971991	-0.3428414887	 1.3563919986	 0.029334
+O	 3.0922998639	 0.5490732647	 0.6737131058	-0.303009
+C	 1.9619234155	 1.4197258782	 0.4038186376	 0.072612
+C	 1.7755042195	 2.3396976476	 1.6214718132	 0.065174
+O	 0.5383186004	 3.0255746571	 1.4337762376	-0.438196
+C	 1.7824184594	 1.4892944786	 2.880598808	-0.10514
+C	 1.9526835543	 0.1728546655	 2.764815244	-0.059626
+H	 0.4051221181	-1.5005955708	-0.7625541309	 0.112383
+H	 0.2351714476	 0.0607706524	-1.5760304379	 0.119037
+H	 1.8438540057	-0.6562513725	-1.3646017293	 0.13082
+H	 0.0478831061	 0.3569520895	 0.9292482397	 0.085706
+H	 2.4496821219	-1.391772042	 1.2876481582	 0.072067
+H	 2.0654748924	 1.9827686522	-0.5280610606	 0.077284
+H	 2.6088798765	 3.0600716103	 1.6505128351	 0.076962
+H	 0.3988475796	 3.6105997766	 2.185022598	 0.284938
+H	 1.6427191564	 1.98420174	 3.8388406926	 0.089122
+H	 1.9461973194	-0.5064744125	 3.6108858338	 0.096611
+19
+0 3068	2.9444749	1.49118	1.2458195	1.2618	75.54	-0.23806	-0.00062	0.23743999999999998	1067.4454	0.157864	-422.548789	-422.540884	-422.53994	-422.580704	31.393
+C	 1.2874398482	 1.1572955435	-0.0602111807	-0.400577
+C	 1.0526255116	-0.3610197264	-0.0141300354	-0.029753
+C	 1.5848677723	-1.0539508934	-1.2559027508	-0.082618
+C	 2.5326663455	-1.9835773121	-1.1313435884	-0.057823
+C	 2.9922573923	-2.2846190964	 0.273680178	-0.02351
+O	 3.1833611789	-1.018623108	 0.9958144795	-0.317613
+C	 1.733793904	-1.0022372815	 1.2077790148	 0.022252
+C	 1.7542833787	-2.5507242615	 1.1762074852	 0.176486
+O	 2.0393287374	-3.1381273931	 2.4176545213	-0.45696
+H	 0.8233310878	 1.6524117825	 0.7994529179	 0.111998
+H	 2.3603305108	 1.3678643098	-0.0443089582	 0.13816
+H	 0.86453075	 1.5950640654	-0.9700097406	 0.11264
+H	-0.0293000007	-0.5450225926	 0.0637784312	 0.084114
+H	 1.1957000476	-0.7479206985	-2.2232180324	 0.095704
+H	 2.9485247228	-2.5250832352	-1.9741152537	 0.096202
+H	 3.8577274018	-2.9452468136	 0.3555325068	 0.078168
+H	 1.4596596625	-0.5243881467	 2.1541302091	 0.073695
+H	 0.9092264811	-3.0883499154	 0.7430148948	 0.091662
+H	 2.7817770674	-2.6484752068	 2.7936575518	 0.287772
+19
+0 3069	2.4999478	1.6163426	1.2894139	1.8	75.5	-0.23693	0.00261	0.23954	1039.9028	0.158308	-422.555826	-422.547813	-422.546869	-422.587772	31.939
+O	-2.2895741389	-2.067816016	 2.5999960516	-0.457827
+C	-2.1466613448	-0.9633513821	 1.7389834017	 0.183519
+C	-3.2018625706	 0.1859345678	 1.9031587987	-0.09661
+C	-2.2403868989	 0.7938452863	 2.9754218204	-0.264805
+C	-1.0929976918	 0.0974253898	 2.1824109127	-0.093562
+C	-0.6768311972	 0.9720072609	 0.9836649569	 0.110685
+O	 0.2432708387	 0.3008745622	 0.1254780322	-0.44052
+C	-1.9134001637	 1.4311599819	 0.238385914	-0.127407
+C	-3.1194695561	 1.0492112909	 0.6662582579	-0.06007
+H	-2.199137761	-1.7713038661	 3.5113763119	 0.281783
+H	-2.0607829162	-1.3853926323	 0.7334146078	 0.068542
+H	-4.2183512995	-0.0901167916	 2.1863902716	 0.066755
+H	-2.217148356	 1.8827224634	 3.0601221483	 0.104543
+H	-2.3838843581	 0.3660638755	 3.9727414489	 0.090219
+H	-0.212282108	-0.2677956332	 2.7170378773	 0.071113
+H	-0.1102104859	 1.838321353	 1.3501228672	 0.091502
+H	-0.2403272973	-0.3989626107	-0.3272368367	 0.278204
+H	-1.7696621116	 2.0512706199	-0.6411701027	 0.097366
+H	-4.030276753	 1.3398424806	 0.1515700403	 0.09657
+19
+0 3070	2.6701567	1.4880218	1.1803047	1.7718	74.89	-0.24827	-0.02682	0.22144999999999998	1099.835	0.157025	-422.550533	-422.542329	-422.541385	-422.5835	30.868
+C	-0.0514113114	 0.1065265454	-0.076532074	-0.428234
+C	 1.467415365	 0.0702194897	-0.0101117771	 0.031574
+C	 2.0705820608	-0.3837545201	 1.3442047829	 0.07466
+C	 3.5952785214	-0.3629970714	 1.1004266698	-0.26218
+C	 3.6528851727	 1.0703778052	 0.444048368	-0.089477
+C	 4.2925890973	 1.1047349894	-0.9177916581	 0.13685
+O	 3.7014683415	 1.2841678807	-1.9545796567	-0.251696
+C	 2.1384720245	 1.3706069676	 0.5012397567	 0.063942
+O	 1.8242277629	 0.957714592	 1.8696053993	-0.305935
+H	-0.4692555053	 0.5598582246	 0.825807985	 0.134425
+H	-0.3864025745	 0.6864203581	-0.9426952129	 0.121716
+H	-0.4623318599	-0.9038221592	-0.176968061	 0.113298
+H	 1.8975847516	-0.3714046833	-0.9121933032	 0.083839
+H	 1.6524472477	-1.1869660562	 1.9520734592	 0.08049
+H	 4.1620564699	-0.4161727362	 2.0311272515	 0.116629
+H	 3.9299468102	-1.1646805398	 0.4354450904	 0.110227
+H	 4.2112330574	 1.7525016477	 1.0951046263	 0.101467
+H	 5.396307056	 0.9482818458	-0.9140595907	 0.081571
+H	 1.7922032822	 2.3696228199	 0.2392979949	 0.086833
+19
+0 3071	2.6464371	1.5428089	1.3170602	2.4331	74.82	-0.2402	-0.02698	0.21322	1042.3761	0.156782	-422.547637	-422.53952	-422.538576	-422.580373	30.894
+C	-0.1047267329	-0.1676732985	-0.0900365475	-0.438859
+C	 1.4089063105	-0.0681892717	-0.0148108821	 0.037214
+C	 2.2012656898	-0.8637949382	 1.058280336	 0.093647
+C	 3.449456173	-0.6786531298	 0.1650831864	-0.246499
+C	 2.3739902449	-0.8836191601	-0.9502731985	-0.091482
+C	 1.9697907863	-2.3297106891	-0.6171939063	 0.038352
+O	 1.8179896176	-2.237830089	 0.8133309091	-0.296822
+C	 0.7191577275	-2.8736227438	-1.2824354666	 0.119735
+O	 0.493701435	-2.7657517159	-2.4603390451	-0.252595
+H	-0.5674453302	 0.5246933711	 0.6213400059	 0.116245
+H	-0.474438425	 0.0834611453	-1.0891321077	 0.130677
+H	-0.4584205153	-1.1711643658	 0.1625687488	 0.127139
+H	 1.7274204067	 0.9775821353	-0.0158179729	 0.080555
+H	 2.164541608	-0.6667566661	 2.1284842767	 0.082359
+H	 3.8564865548	 0.3329576738	 0.1859236533	 0.106345
+H	 4.2434975849	-1.4227577552	 0.258949083	 0.102431
+H	 2.5323428775	-0.6428974762	-1.9991871376	 0.091349
+H	 2.7791365648	-3.0366413297	-0.8603781165	 0.107099
+H	 0.0388978722	-3.4230377664	-0.5934553484	 0.09311
+19
+0 3072	3.2991118	1.2711438	1.193632	1.0582	74.93	-0.2528	-0.02527	0.22753	1094.6971	0.15807	-422.565846	-422.557851	-422.556907	-422.598422	30.802
+O	 0.3159761403	 3.9534385808	-2.0352411208	-0.446311
+C	 1.6425135269	 3.5103834886	-2.0239855771	 0.175448
+C	 2.5634192876	 3.6808126895	-0.7785540781	-0.067332
+C	 3.3987339061	 2.5234483389	-1.3964393146	-0.239303
+C	 2.0058530685	 1.99901189	-1.8450809744	-0.087407
+C	 1.3198570666	 1.6820509217	-0.4809883536	-0.087198
+C	 1.7697583242	 2.9431705443	 0.3200582543	-0.266394
+C	 1.7840490521	 0.3593743996	 0.0759648585	 0.13358
+O	 2.5937731729	 0.2201594164	 0.9591674421	-0.244402
+H	-0.0762726765	 3.7998282882	-1.1699209706	 0.286425
+H	 2.1044938121	 3.9107665341	-2.9294948852	 0.092769
+H	 3.0066992648	 4.6411785064	-0.5161953616	 0.067225
+H	 4.0149160136	 2.8433615773	-2.2390340792	 0.10408
+H	 3.9794162403	 1.9022932677	-0.712773153	 0.121696
+H	 1.8786193327	 1.2729291063	-2.6482585428	 0.070692
+H	 0.2336181229	 1.6157152429	-0.6235085007	 0.081311
+H	 0.9234406592	 3.5225379411	 0.7054127342	 0.091547
+H	 2.3942661939	 2.6620925445	 1.1703686541	 0.13405
+H	 1.334663172	-0.5295453583	-0.4235096415	 0.079525
+19
+0 3073	2.6783152	1.7101476	1.4401828	1.4684	74.14	-0.24507	0.06247	0.30754000000000004	988.949	0.157466	-422.509993	-422.50205	-422.501106	-422.541895	31.529
+C	-0.658437587	-0.2554444478	-4.3836252728	-0.480835
+C	 0.1518903538	-0.1857475206	-3.114256834	 0.355555
+C	 1.6242027594	 0.1495773528	-3.1159338765	-0.360166
+C	 1.1736325908	-1.2357930679	-2.7006995977	-0.088008
+C	 0.674621638	-1.5008134473	-1.274449158	-0.001479
+O	-0.7880488868	-1.5562962322	-1.4751791398	-0.301679
+C	-0.6297819909	-0.1202994641	-1.783042572	-0.037159
+C	 0.3780600075	-0.1173138808	-0.6117743194	 0.108781
+O	 1.3025801563	 0.923204692	-0.4369570974	-0.424922
+H	-1.4792217739	-0.9735962899	-4.2801423756	 0.127943
+H	-1.090303747	 0.719416552	-4.6406241823	 0.114413
+H	-0.0391804224	-0.5728820365	-5.2287079145	 0.113715
+H	 2.0731493028	 0.1997921001	-4.1048224481	 0.100749
+H	 2.0494321908	 0.831122647	-2.3970903761	 0.148367
+H	 1.3909949897	-2.0904175342	-3.3311113653	 0.090001
+H	 1.0698393709	-2.3551095486	-0.724874762	 0.073189
+H	-1.5663949669	 0.437676755	-1.7617203541	 0.074486
+H	-0.1822897337	-0.3059963998	 0.3076714551	 0.096049
+H	 1.6356256786	 0.8800188707	 0.4637091004	 0.290998
+19
+0 3074	2.4024983	1.9470648	1.4775805	0.5199	73.37	-0.25404	0.0636	0.31764	960.5247	0.157821	-422.524799	-422.517193	-422.516249	-422.556219	31.029
+C	 2.330746628	 0.3121448389	 2.8501571949	-0.497086
+C	 1.0208049782	-0.1411338789	 2.2763012155	 0.410274
+O	-0.1762861072	 0.2816002194	 2.9559677376	-0.297223
+C	 0.0010102512	 0.6639230259	 1.5810434457	-0.05006
+C	-0.5327456599	-0.3357769151	 0.5328145932	-0.130423
+C	-0.6474447392	-1.645760911	 1.3591902628	-0.225577
+C	 0.8876889056	-1.4834093856	 1.512038953	-0.161374
+C	 0.8333916306	-0.9418725671	 0.0302496396	 0.171698
+O	 1.8448971097	-0.1350796896	-0.5014326174	-0.444041
+H	 2.6058733506	-0.300421572	 3.7159502542	 0.133442
+H	 3.132268606	 0.210573412	 2.110087889	 0.128244
+H	 2.2732638001	 1.3539354567	 3.1763352824	 0.130637
+H	 0.0601154691	 1.7321575922	 1.394891716	 0.098725
+H	-1.3105257513	-0.0002663933	-0.1520143944	 0.067404
+H	-1.2463759336	-1.6145419984	 2.2650217324	 0.126267
+H	-0.9135633196	-2.5018831015	 0.7373876332	 0.099074
+H	 1.5418316403	-2.3035432651	 1.8073931982	 0.063224
+H	 0.6843268855	-1.7485627251	-0.6912224935	 0.089943
+H	 1.9561815161	 0.6330799575	 0.0682684078	 0.286853
+19
+0 3075	3.2290907	1.5000751	1.2817355	3.2293	74.14	-0.24062	0.07456	0.31518	1054.6118	0.156428	-422.505119	-422.497207	-422.496262	-422.537003	31.189
+C	 1.4198903638	 1.370924357	-0.1092765179	-0.429371
+C	 1.180726518	-0.1287742614	-0.0453178057	 0.021639
+C	 2.0250605611	-1.0095394011	-1.0250640333	 0.007768
+O	 3.1384978381	-0.8999858662	-0.101100288	-0.264228
+C	 2.1084184947	-0.9416426721	 0.9185247557	-0.031568
+C	 1.5204816046	-2.3808946868	 0.759821162	 0.423426
+C	 0.5876331199	-2.9868125655	 1.7619747035	-0.499133
+O	 2.3930339303	-3.2439378576	 0.0199215624	-0.274308
+C	 1.4692505581	-2.4265170692	-0.7037865645	-0.049462
+H	 1.0058249243	 1.8701485688	 0.7733752403	 0.116136
+H	 2.4890735635	 1.5904251599	-0.1600789011	 0.138614
+H	 0.9355191075	 1.8058997641	-0.9902043547	 0.116441
+H	 0.1116184064	-0.3667335599	 0.0069284889	 0.069249
+H	 2.2584852421	-0.730916351	-2.0525613187	 0.084041
+H	 2.4258879819	-0.5901659287	 1.90085569	 0.079676
+H	 1.1223593593	-3.24962432	 2.681630143	 0.132546
+H	-0.2083168741	-2.2832012045	 2.0296779614	 0.123553
+H	 0.1295121252	-3.8961686951	 1.364872294	 0.134998
+H	 0.7171035451	-2.9249406208	-1.3059351074	 0.099982
+19
+0 3076	3.3509285	1.4300498	1.3223797	1.1924	73.95	-0.23977	0.08301	0.32278	1041.5081	0.157414	-422.509195	-422.501494	-422.50055	-422.540686	31.397
+C	 0.0411128399	-0.100603971	-0.0551907468	-0.426797
+C	 1.5616070926	-0.0441268692	 0.0063175778	 0.020806
+C	 2.1584921469	 1.3239890207	 0.4263443506	 0.056895
+O	 1.7839876575	 0.9901201493	 1.8219008175	-0.317718
+C	 2.1792752205	-0.3661579364	 1.3911439734	-0.043123
+C	 3.7053478982	-0.1773288437	 1.2487869063	 0.450799
+O	 4.5045571559	-0.4251567981	 2.3550696319	-0.467082
+C	 4.3335585322	-0.1238324024	-0.102992364	-0.354482
+C	 3.6832912492	 1.1310121369	 0.4664972678	-0.140446
+H	-0.4030493018	 0.3846734647	 0.8160850629	 0.138037
+H	-0.3261749617	 0.4005400415	-0.9574383718	 0.113585
+H	-0.3064651573	-1.1387204845	-0.0911390413	 0.114164
+H	 1.9910930532	-0.5362979673	-0.8677942085	 0.068931
+H	 1.7570793029	 2.279815387	 0.0881875857	 0.077358
+H	 1.8258178705	-1.1630393554	 2.0468291516	 0.078868
+H	 4.1685988105	 0.1247010545	 3.0738075656	 0.287464
+H	 5.4189940673	-0.1000033585	-0.0787003535	 0.124584
+H	 3.9300213599	-0.6540085037	-0.9574004088	 0.119004
+H	 4.3138739036	 1.9665802156	 0.7448441737	 0.099152
+19
+0 3077	3.0920205	1.5259729	1.2963789	1.7377	74.22	-0.23984	0.07941	0.31925	1021.0894	0.158189	-422.520965	-422.513332	-422.512388	-422.55232	31.547
+O	-0.5649793651	 0.3535524954	-0.0888489574	-0.453699
+C	-1.9110971969	 0.3738939108	 0.3227864699	 0.159863
+C	-2.9038576519	 0.2762498069	-0.8864559956	-0.053769
+C	-2.6335875407	 1.7947988377	-1.0826563907	-0.249889
+C	-2.5945512633	 1.7946943658	 0.468281439	-0.14825
+C	-3.9960165793	 1.3274846237	 0.8968638355	 0.405602
+O	-4.216537387	 1.1080053238	 2.2579053733	-0.471923
+C	-5.1566686475	 1.4180969447	-0.0605636684	-0.379098
+C	-4.2279142476	 0.2167036233	-0.1064106009	-0.090781
+H	-0.0164318633	 0.5462891955	 0.6776771133	 0.283863
+H	-2.0887441881	-0.3207982461	 1.153494318	 0.073937
+H	-2.7446931205	-0.4440459074	-1.6885378248	 0.066326
+H	-1.6422463414	 1.9633505528	-1.4998398548	 0.117952
+H	-3.3660263279	 2.4116743138	-1.6035033532	 0.089441
+H	-2.1385240799	 2.604070854	 1.0418534078	 0.049932
+H	-4.4569407433	 1.9508029657	 2.657810471	 0.281361
+H	-6.1153483634	 1.2052517086	 0.4017515437	 0.112335
+H	-5.2068767329	 2.1469422132	-0.8608792896	 0.110505
+H	-4.61186517	-0.7457595221	 0.2101160839	 0.096292
+19
+0 3078	2.6575737	1.6570682	1.3570275	3.2887	74.02	-0.2416	0.07705	0.31865	1016.7759	0.157323	-422.516057	-422.508348	-422.507404	-422.547939	30.462
+C	 1.605554681	-1.1608513383	-0.9576162761	-0.438422
+C	 1.3931200922	-0.0388375647	 0.0452966613	 0.027772
+C	 2.233065673	 1.27013089	 0.0639467538	 0.051375
+C	 3.7038511306	 0.8022706476	 0.142257861	-0.327551
+C	 3.4830030622	-0.2457281681	 1.2485817985	 0.5073
+C	 4.2541829761	-1.4628961608	 1.502422667	-0.285758
+O	 4.3564789619	-0.3211997454	 2.3640763441	-0.286646
+C	 1.9867062621	-0.0546567059	 1.4812452664	-0.038263
+O	 1.8933215415	 1.4058024357	 1.4802375282	-0.296366
+H	 1.0244741462	-2.0449450941	-0.6740519609	 0.123753
+H	 1.2694354099	-0.8557916384	-1.9544155475	 0.122921
+H	 2.6524886327	-1.4651802018	-1.0355409373	 0.123018
+H	 0.3373867554	 0.2336316716	 0.1191477549	 0.091201
+H	 1.9918691383	 2.1455087493	-0.5389623886	 0.081721
+H	 4.094153052	 0.3907329586	-0.7922237318	 0.104036
+H	 4.3600040074	 1.6044643528	 0.4859390051	 0.128312
+H	 3.77373189	-2.3373136671	 1.9415480874	 0.112813
+H	 5.137968893	-1.6774275341	 0.902297491	 0.11459
+H	 1.5268260046	-0.5441714669	 2.3392756536	 0.084192
+19
+0 3079	2.712527	1.748007	1.4173821	1.4878	74.69	-0.22793	0.08001	0.30794	982.7684	0.157898	-422.525219	-422.517726	-422.516781	-422.556692	30.69
+O	 0.7703611561	 1.1750809699	 0.6521590048	-0.447131
+C	-0.5416551642	 0.7349387968	 0.7857208433	 0.173309
+C	-0.8853225856	-0.2896623164	 1.8982781766	 0.043015
+C	-2.3412994327	 0.2161932112	 1.8058784135	-0.252368
+C	-1.6095663211	 1.5775636349	 1.5863105436	-0.197298
+C	-0.8898943198	 1.6971831824	 2.9138458657	 0.486839
+C	-0.0787949919	 2.8578692461	 3.3911397512	-0.357722
+C	-1.3529967618	 2.4428219113	 4.1203698536	-0.356012
+O	-0.3582386645	 0.3689122102	 3.0743584947	-0.335427
+H	 1.1483929553	 1.1843714616	 1.5409177843	 0.29492
+H	-0.909245039	 0.4450737286	-0.200080947	 0.090356
+H	-0.5810153738	-1.3347525496	 1.9004297227	 0.083658
+H	-2.8675456388	-0.1417403745	 0.919485819	 0.104768
+H	-2.9561046278	 0.1119975973	 2.7005729864	 0.11177
+H	-2.0941480485	 2.4660983182	 1.1859319953	 0.075694
+H	 0.8616511598	 2.63815057	 3.8858433892	 0.120999
+H	-0.0836087863	 3.773504741	 2.8092633705	 0.121067
+H	-1.2330525364	 1.9504481205	 5.0789445004	 0.12523
+H	-2.2304016189	 3.0763895907	 4.0387185422	 0.114334
+19
+0 3080	2.6846938	1.6506918	1.3719235	0.5489	74.13	-0.25676	0.06349	0.32025	1001.2559	0.158267	-422.532718	-422.525109	-422.524165	-422.564456	30.508
+O	 0.4563423283	-0.0160859969	 0.0940889673	-0.447082
+C	-0.7247122905	 0.4966862963	 0.6444988902	 0.169173
+C	-2.1380227583	 0.0964378368	 0.1031689675	-0.075317
+C	-2.6194964221	 1.4222972622	 0.7608352449	-0.24143
+C	-1.2181895026	 1.9412606184	 0.3188626289	-0.153597
+C	-1.3556642622	 1.866323836	-1.1961663173	 0.485966
+C	-0.4967025355	 2.5508097626	-2.1693637012	-0.299712
+O	-1.8350440336	 2.9979595359	-1.9109958799	-0.296303
+C	-2.0371838498	 0.4941757842	-1.3838898249	-0.3253
+H	 0.4982916385	 0.224263931	-0.8368914116	 0.286996
+H	-0.6533081427	 0.3336107466	 1.7218695995	 0.091746
+H	-2.5921367132	-0.8660118505	 0.3364541235	 0.068076
+H	-3.4916808759	 1.9157066637	 0.3276204687	 0.112208
+H	-2.7210836891	 1.3505091478	 1.8455625135	 0.103164
+H	-0.7542534981	 2.8357628187	 0.7325348123	 0.069297
+H	 0.291782079	 3.2203429721	-1.8264693985	 0.117824
+H	-0.3363912836	 2.1156267393	-3.1558590922	 0.113891
+H	-3.0125425264	 0.6057661261	-1.8647774938	 0.120608
+H	-1.443525512	-0.2095589704	-1.9766443268	 0.099792
+19
+0 3081	2.6359922	1.6970738	1.3815358	1.7955	74.09	-0.24929	0.07301	0.32230000000000003	999.618	0.158015	-422.525996	-422.51837	-422.517426	-422.557696	30.715
+O	 0.4399821206	-0.1281357408	 0.1956626044	-0.436657
+C	-0.7365223711	 0.419059385	 0.7041234372	 0.144254
+C	-2.1528197336	-0.0015783705	 0.2070132474	 0.026596
+C	-2.0796374041	 0.1810363637	-1.3241555073	-0.326456
+C	-1.3957006634	 1.5671324685	-1.3073426453	 0.38875
+C	-1.6762960498	 2.6731297225	-2.2726378507	-0.348616
+C	-0.3134551657	 2.0146630387	-2.2627798387	-0.346394
+C	-1.3064878717	 1.7737312178	 0.204100598	-0.056514
+O	-2.6127236514	 1.309224309	 0.6585964942	-0.290711
+H	 0.5009141588	 0.1014693683	-0.738383167	 0.294909
+H	-0.6870791196	 0.3864017632	 1.7927490997	 0.10425
+H	-2.7164465274	-0.8398682604	 0.6152523257	 0.081281
+H	-1.4907153273	-0.6003512579	-1.8157469029	 0.100133
+H	-3.0761255726	 0.2052172285	-1.7712264458	 0.115311
+H	-2.3328958377	 2.4612700901	-3.1101564923	 0.11707
+H	-1.7573704248	 3.6849113627	-1.8881751181	 0.118663
+H	-0.0585278505	 1.3661678565	-3.0955642063	 0.116614
+H	 0.523993473	 2.5850202722	-1.8720840181	 0.120724
+H	-1.0075022618	 2.7496789532	 0.5879661158	 0.076793
+19
+0 3082	3.4186948	1.5000087	1.3521861	3.1859	73.51	-0.24604	0.07424	0.32028	1015.3939	0.158469	-422.529592	-422.522292	-422.521348	-422.56087	29.351
+C	 0.8492402698	 1.0599439293	 0.0063465201	-0.424528
+C	 1.0349683671	-0.4504157838	 0.0001852924	 0.006617
+C	 2.1050248052	-0.968749942	 1.0010329892	 0.08645
+C	 1.959548271	-2.4614023382	 1.317982373	-0.257334
+C	 1.7593178134	-3.2433486816	 0.0212877525	 0.042617
+O	 2.8829820188	-3.3523790289	-0.8621369992	-0.239715
+C	 1.8285725387	-2.4720816823	-1.2300384534	 0.039213
+C	 2.0807602346	-0.9793419313	-1.0167336728	 0.033218
+O	 3.1228815314	-0.8133694315	-0.0292720212	-0.281639
+H	 0.3012314561	 1.3849202877	 0.8973243587	 0.115832
+H	 1.8185396864	 1.5673154779	-0.0015391927	 0.13551
+H	 0.2837450817	 1.3907138858	-0.8713262623	 0.115664
+H	 0.0721264956	-0.9722836221	 0.0085583195	 0.068714
+H	 2.3178300843	-0.3618477534	 1.8866600484	 0.074783
+H	 2.8495784629	-2.822458218	 1.8450895084	 0.123185
+H	 1.0968587243	-2.6226725993	 1.976231675	 0.10107
+H	 1.1529526511	-4.1461431019	 0.0751827929	 0.093802
+H	 1.2461730058	-2.7627678104	-2.1039359344	 0.090397
+H	 2.2815511717	-0.422560256	-1.9365839842	 0.076144
+19
+0 3083	3.0232483	1.5527397	1.4385982	2.1717	73.4	-0.23119	0.06766	0.29885	985.696	0.158722	-422.519752	-422.512397	-422.511453	-422.550947	30.213
+O	 0.4989735179	 0.4441458097	 0.4543742324	-0.448845
+C	-0.5646762023	 0.6418666964	-0.4514854885	 0.141687
+C	-1.9689920468	 0.1837330019	 0.0460871744	 0.092304
+C	-2.1097125043	 1.5886398986	 0.7040760445	-0.27933
+C	-1.1711390194	 2.0798775827	-0.4502181882	-0.094703
+C	-2.0983227069	 2.3005298049	-1.6406340554	-0.054338
+C	-2.0019297348	 1.5021471823	-2.92528567	-0.334421
+C	-3.0241421646	 1.1378992242	-1.8719754418	 0.106765
+O	-2.8556072751	 0.003512825	-1.055125121	-0.271633
+H	 0.3023668225	 0.9001481484	 1.2787438561	 0.282024
+H	-0.2239656551	 0.215271256	-1.3951878823	 0.084571
+H	-2.044329303	-0.7176005925	 0.6566044241	 0.081055
+H	-3.1090143533	 2.0244522808	 0.766576089	 0.105869
+H	-1.6482054044	 1.6152469387	 1.6953483223	 0.092178
+H	-0.4784482473	 2.9084379265	-0.2842939718	 0.068373
+H	-2.5165634788	 3.3013071379	-1.703860729	 0.092166
+H	-2.3740569501	 1.9721722971	-3.8295623218	 0.110995
+H	-1.1623412723	 0.8376267475	-3.0858648909	 0.127714
+H	-4.0724466019	 1.3066463841	-2.096774932	 0.097568
+19
+0 3084	2.5643481	1.7380389	1.6651056	0.4937	72.64	-0.25424	0.06826	0.3225	930.7034	0.159653	-422.542353	-422.535237	-422.534293	-422.573353	29.395
+O	-0.552964121	 0.6992937128	 0.3324608344	-0.441925
+C	-1.9037620719	 0.3269518848	 0.4035066636	 0.160674
+C	-2.9507240565	 1.1836516481	 1.1869218049	-0.075005
+C	-3.7405500876	-0.1447509938	 1.3621703067	-0.233534
+C	-2.3760306579	-0.8814662119	 1.2774857161	-0.109478
+C	-1.6584464469	-0.7953831427	 2.6204964071	 0.032755
+O	-2.4553931775	-0.5329279258	 3.7797378124	-0.250482
+C	-1.6533747528	 0.5350227311	 3.2643185708	 0.02522
+C	-2.3644160722	 1.6635442296	 2.526773526	-0.253833
+H	-0.1968042651	 0.7297515005	 1.226135164	 0.285793
+H	-2.2289036067	 0.192512024	-0.6311212788	 0.092168
+H	-3.4313282171	 2.0074424586	 0.6542747079	 0.064908
+H	-4.3117683286	-0.2785099715	 2.2792317531	 0.122036
+H	-4.3644612567	-0.3641485538	 0.4929130828	 0.098619
+H	-2.3382550301	-1.8865499188	 0.8530863027	 0.064374
+H	-0.8351617369	-1.4866316273	 2.7929654446	 0.097246
+H	-0.8344856476	 0.819712901	 3.9250541332	 0.096139
+H	-3.1473205905	 2.0924683063	 3.1632210406	 0.116951
+H	-1.6369787564	 2.4634887989	 2.3397909379	 0.107373
+19
+0 3085	3.0316138	1.5484112	1.4041687	1.4636	73.01	-0.2505	0.07653	0.32703	996.0786	0.159553	-422.533945	-422.526804	-422.525859	-422.564996	29.562
+O	 0.1194354002	 0.0722569528	 0.4081189407	-0.457846
+C	-0.992684552	 0.8641438639	 0.0703371086	 0.164283
+C	-1.2419886622	 2.035366538	 1.0428336033	 0.048136
+C	-2.2024610335	 3.1000903091	 0.4941898626	-0.250887
+C	-3.5045714957	 2.4669614751	-0.0010589508	-0.016172
+C	-3.5787321551	 1.6291400333	-1.2539170073	-0.306667
+C	-3.5781562723	 0.9571635179	 0.1006479452	-0.026015
+C	-2.318867634	 0.3532094687	 0.6854000923	 0.018189
+O	-1.9777168695	 1.1090673143	 1.905619078	-0.323413
+H	 0.0622185188	-0.0916117957	 1.3579944013	 0.287155
+H	-0.9212730408	 1.0562937686	-1.0001781177	 0.083894
+H	-0.36993448	 2.4652545439	 1.5446383684	 0.075409
+H	-2.4346537836	 3.7945459626	 1.3084040827	 0.112811
+H	-1.7016544912	 3.6838027161	-0.2889969766	 0.10306
+H	-4.4037001675	 3.0196379435	 0.2484694666	 0.090394
+H	-4.5163386522	 1.6361181891	-1.7995264182	 0.11206
+H	-2.7077057884	 1.5460867371	-1.8929037174	 0.118458
+H	-4.5060651441	 0.507363284	 0.4383578729	 0.089362
+H	-2.388437177	-0.7206560122	 0.8771654553	 0.077788
+19
+0 3086	3.5194454	1.5817565	1.5060553	0.0597	73.43	-0.22215	0.05553	0.27768	960.9086	0.159174	-422.498525	-422.491736	-422.490792	-422.529207	28.446
+C	-0.0147915032	 0.0481366373	 0.0092396672	-0.433968
+C	 1.5069876349	 0.0461708518	 0.0241870964	 0.053494
+C	 2.146075924	-1.0139214491	 0.9680294534	 0.041108
+O	 1.8951707718	-2.0166548923	-0.0667985127	-0.293031
+C	 2.1655507754	-0.9234563288	-1.000123298	 0.041096
+C	 3.7266575391	-0.6849155979	-0.9751131949	 0.048137
+C	 4.3543808917	-1.7395610942	-0.029725928	-0.207775
+C	 3.7071579928	-0.7755128301	 0.995837848	 0.048134
+O	 3.9888819226	 0.3150675667	 0.0611010672	-0.288836
+H	-0.4094391879	 0.5285460415	 0.9113729375	 0.113545
+H	-0.3920252042	 0.6102231366	-0.8522296537	 0.113545
+H	-0.4122761394	-0.9686204255	-0.0417483563	 0.131495
+H	 1.9139532691	 1.0535514358	 0.074513575	 0.096138
+H	 1.7004861599	-1.277255302	 1.9300911292	 0.075657
+H	 1.7392850823	-1.0970249915	-1.9908948489	 0.075658
+H	 4.1689427971	-0.4231432399	-1.9379188383	 0.079852
+H	 4.0302684312	-2.7753521158	-0.080543352	 0.120656
+H	 5.4400863373	-1.6437934493	-0.0145818663	 0.105241
+H	 4.1301067957	-0.6035632432	 1.9871417552	 0.079852
+19
+0 3087	2.6883821	2.0110437	1.6497423	2.8875	72.93	-0.24451	0.05678	0.30129	893.9006	0.161214	-422.508948	-422.502681	-422.501737	-422.539096	27.531
+O	 0.6877558442	 0.0938801949	 0.5447314546	-0.444332
+C	-0.6394976993	 0.3765220542	 0.8251469568	 0.215695
+C	-1.2514975204	 1.831672303	 0.8899073619	-0.122612
+C	-2.4244201266	 1.1163872175	 1.6232940854	-0.233086
+C	-1.3031748556	 0.2374286781	 2.2521641315	-0.122611
+C	-0.4714678302	 1.1325752451	 3.247258621	 0.078832
+C	-1.058173735	 2.5600885888	 3.3646815709	-0.227743
+C	-0.4224818549	 2.6438564206	 1.955892312	 0.078832
+O	 0.6297888266	 1.7528752696	 2.4840296015	-0.314012
+H	 1.1923910594	 0.6212356494	 1.1810191421	 0.287754
+H	-1.2259264988	-0.2115993162	 0.1146207605	 0.083416
+H	-1.4345228954	 2.3911586518	-0.0288857485	 0.063791
+H	-3.081019151	 1.6912522718	 2.2711459581	 0.099979
+H	-3.0422189302	 0.5429010985	 0.928710662	 0.10142
+H	-1.536329719	-0.7495860567	 2.6548362625	 0.063791
+H	-0.1087484899	 0.6036261771	 4.1295261677	 0.087261
+H	-2.1215208041	 2.7277095561	 3.5205139479	 0.104587
+H	-0.4763885417	 3.1484278714	 4.0752798204	 0.11178
+H	-0.0121687082	 3.5833483653	 1.5834050915	 0.08726
+19
+0 3088	3.4836466	1.5579716	1.4974664	1.6318	73.16	-0.2519	0.06489	0.31679	952.4329	0.160604	-422.505197	-422.498729	-422.497785	-422.535526	28.064
+O	 0.2908561077	 0.1035500303	 0.1865409729	-0.465789
+C	-0.8907329332	 0.8315773346	 0.3846446072	 0.18981
+C	-0.7392583794	 2.0020325482	 1.3995062697	 0.027869
+O	-0.053445661	 2.7174373052	 0.309121721	-0.317687
+C	-1.0361639163	 2.0551215525	-0.566481417	 0.027869
+C	-2.4196695266	 2.786049831	-0.384150334	-0.054105
+C	-2.172101163	 3.9188080097	 0.6615255876	-0.192432
+C	-2.1090860716	 2.7305167767	 1.6723975606	-0.054105
+C	-3.2032385688	 2.0840485432	 0.7677057558	-0.226711
+H	 0.9938769438	 0.7606874305	 0.0981116239	 0.285788
+H	-1.6859380518	 0.0972516317	 0.4849072158	 0.083839
+H	-0.1016948647	 1.8776815188	 2.2772843283	 0.081311
+H	-0.687036398	 1.9823465876	-1.5985951589	 0.081311
+H	-2.9162298191	 3.0023335724	-1.331372319	 0.064241
+H	-1.3010270306	 4.5579486505	 0.5472331543	 0.116386
+H	-3.0747032114	 4.5137282591	 0.8139027647	 0.092483
+H	-2.3022693813	 2.8925565225	 2.7340018481	 0.064241
+H	-3.3515685498	 1.004946289	 0.7609682293	 0.099492
+H	-4.1727668449	 2.5623476564	 0.9270407698	 0.09619
+19
+0 3089	3.2245516	1.5190735	1.424695	1.2878	73.35	-0.24409	0.06982	0.31391	1000.0178	0.15897	-422.514153	-422.507039	-422.506095	-422.545317	28.735
+C	 0.0190255044	-0.041289251	-0.0430890894	-0.429868
+C	 1.5393529262	 0.0223864078	-0.061284156	 0.019118
+C	 2.2269652141	-0.4198845544	 1.2602613692	 0.042308
+O	 1.9201940764	 0.908984353	 1.8155070156	-0.305896
+C	 2.1492831903	 1.3529691091	 0.4352694214	 0.03862
+C	 3.6799315479	 1.12811405	 0.3443083451	 0.120764
+O	 4.1896789575	 0.5829420103	-0.8954565421	-0.300099
+C	 4.3892770842	-0.7179961661	-0.2907795024	-0.112012
+C	 3.7447972225	-0.2583951402	 1.0322930604	-0.067209
+H	-0.3761527659	 0.3654560412	 0.8909481596	 0.135624
+H	-0.4034580202	 0.530837836	-0.8758274751	 0.116594
+H	-0.3282818655	-1.0752426344	-0.1437490421	 0.113369
+H	 1.9430563371	-0.3703256134	-0.9962097444	 0.090217
+H	 1.863179854	-1.2481319792	 1.8692828989	 0.078632
+H	 1.7322526888	 2.333775035	 0.2060485612	 0.076869
+H	 4.2774258392	 1.966417027	 0.7105928997	 0.084106
+H	 3.8859263425	-1.518825261	-0.8459188914	 0.102779
+H	 5.4565835459	-0.955256246	-0.2094285735	 0.106637
+H	 4.3245242206	-0.3826785936	 1.9455056452	 0.089447
+19
+0 3090	2.5753588	2.0051057	1.6338684	2.5711	73.04	-0.24734	0.06998	0.31732	904.9192	0.160874	-422.530412	-422.523855	-422.522911	-422.56088	27.844
+O	-0.5423225119	 0.7934621024	 0.3060900527	-0.456407
+C	-1.8371106052	 0.2722995826	 0.3500971316	 0.168918
+C	-2.9274014044	 0.5097276093	-0.7603736882	-0.100158
+C	-3.6056527739	-0.7569104122	-0.1376894516	-0.23524
+C	-2.1257480318	-1.2277321968	 0.0604923631	-0.119535
+C	-1.7157541676	-1.3881002304	-1.4125684319	 0.131775
+O	-0.3823412991	-0.9143055299	-1.7871538409	-0.329263
+C	-0.9504098272	 0.1979035319	-2.5426282188	-0.128316
+C	-2.3687278322	-0.1291816209	-2.0448448735	-0.05136
+H	-0.0398853908	 0.2272878136	-0.2980205454	 0.297092
+H	-2.2625238798	 0.5590059033	 1.3164377957	 0.085481
+H	-3.4500602759	 1.4618532742	-0.8478683075	 0.066109
+H	-4.115868335	-0.5644316944	 0.807387957	 0.108447
+H	-4.2424372769	-1.3544994331	-0.794545157	 0.099963
+H	-1.8482313925	-2.0154608294	 0.7604974095	 0.068626
+H	-1.9102265802	-2.3783862435	-1.8334166591	 0.082642
+H	-0.5169970682	 1.1568891529	-2.2468215881	 0.123895
+H	-0.8086556721	 0.0415354281	-3.6178987222	 0.107463
+H	-3.1291728553	-0.2610118878	-2.8155391954	 0.079865
+19
+0 3091	4.1611848	1.3591818	1.2920941	1.4219	73.65	-0.25057	0.07823	0.3288	1029.9589	0.159255	-422.526344	-422.519294	-422.51835	-422.557461	28.977
+O	 0.587773138	 0.3501773672	 0.2485351557	-0.456619
+C	-0.8023506406	 0.4497081339	 0.3540260621	 0.191859
+C	-1.5279126705	-0.8238732568	 0.8793209128	 0.005631
+O	-1.3747195207	-1.381208204	-0.4758334213	-0.324985
+C	-1.6037620214	 0.0090890519	-0.9061216795	 0.005631
+C	-3.0610896469	 0.262780629	-0.5083958731	-0.029317
+C	-4.0980079623	-0.804808791	-0.9521204111	-0.225583
+C	-4.0380579404	-1.4634846916	 0.4598219684	-0.225583
+C	-3.0003914354	-0.4037967852	 0.9204019361	-0.029313
+H	 0.7637692253	-0.5082855432	-0.1594468137	 0.288023
+H	-1.0332913858	 1.4143685667	 0.8138789266	 0.084753
+H	-1.1126501878	-1.459739521	 1.662205962	 0.081123
+H	-1.2649520558	 0.2127221358	-1.9226939155	 0.081124
+H	-3.3554804849	 1.3100294774	-0.5958771305	 0.072527
+H	-5.0744430659	-0.3872765097	-1.2084439715	 0.096726
+H	-3.7636770501	-1.4461700936	-1.7705017358	 0.107377
+H	-4.9801859915	-1.4227133619	 1.011363593	 0.096727
+H	-3.6686682419	-2.4912604662	 0.4697145122	 0.107373
+H	-3.2537466815	 0.1931177223	 1.7982148331	 0.072527
+19
+0 3092	2.276726	1.8900973	1.2337831	3.9448	76.48	-0.23132	-0.00021	0.23111	1044.1412	0.155538	-422.515531	-422.506953	-422.506009	-422.548229	33.043
+C	 0.0366754505	-0.1695090627	 0.0818306155	-0.481576
+C	 1.4537746878	 0.3525070631	 0.3459401901	 0.275858
+C	 2.1272808925	-0.7139143055	 1.203443069	 0.116543
+O	 2.4302266361	-1.801144607	 0.7810016993	-0.280896
+C	 1.6826435922	 1.8598203873	 0.7232158026	-0.161273
+C	 1.3874742327	 2.2258672869	-0.7600132433	-0.253212
+C	 2.3023465062	 0.9681039908	-0.8311066876	-0.10138
+C	 3.1600762586	 1.680719424	 0.2422285417	 0.141637
+O	 4.0395063612	 0.8577087303	 0.9642192462	-0.420736
+H	-0.4957880776	-0.3235806242	 1.0278827362	 0.12015
+H	-0.5698238954	 0.4994415141	-0.5300262263	 0.118237
+H	 0.0985832233	-1.1395146376	-0.4192165694	 0.145566
+H	 2.2121593744	-0.4710725188	 2.2873212281	 0.056045
+H	 1.3330554694	 2.3840547818	 1.6153615882	 0.069143
+H	 0.3638657812	 2.1254925658	-1.1116490214	 0.107776
+H	 1.8282546994	 3.1591085951	-1.1202301303	 0.096901
+H	 2.6621674434	 0.4487036752	-1.7188263679	 0.088165
+H	 3.6582200017	 2.5999873957	-0.0895730266	 0.073676
+H	 4.3386963326	 1.3353253159	 1.745111026	 0.289375
+19
+0 3093	2.9877252	1.4233371	1.0953465	2.3068	77.67	-0.2602	-0.04259	0.21760999999999997	1105.8856	0.15623	-422.516743	-422.508315	-422.507371	-422.549542	32.565
+C	-0.1667194526	-0.1982113811	-0.0200315604	-0.451018
+C	 1.3420133986	-0.103246677	-0.1959641485	 0.062822
+C	 2.2285961195	-1.1469806514	-0.9689814903	-0.131377
+C	 3.4434598195	-0.4343708499	-0.3060604563	-0.252516
+C	 2.4063554532	-0.6202599594	 0.8398145274	-0.13138
+C	 2.1647628305	-2.0865621088	 0.3007168848	 0.388018
+O	 0.9636339972	-2.7179307809	 0.6026004628	-0.491271
+C	 3.2713741541	-3.1053004242	 0.4886265983	 0.085727
+O	 3.0141605327	-4.2356197281	 0.8430535641	-0.285921
+H	-0.5091450526	-1.1778704067	 0.2990341991	 0.159043
+H	-0.4933346122	 0.5450600845	 0.7167831746	 0.110249
+H	-0.6587719993	 0.0546203208	-0.9665971605	 0.110252
+H	 1.5813774523	 0.9179525889	-0.5168661281	 0.066704
+H	 2.1312495009	-1.4660600243	-2.0082241899	 0.079995
+H	 4.3976014579	-0.9545394836	-0.2483563132	 0.095598
+H	 3.5978080679	 0.5981748428	-0.6219054575	 0.105815
+H	 2.5140486141	-0.3317878563	 1.8869531297	 0.079995
+H	 1.2082189402	-3.6277929471	 0.8435229461	 0.292609
+H	 4.3143696882	-2.8076881282	 0.2994666678	 0.106657
+19
+0 3094	2.5414402	1.5383947	1.1059927	1.4295	76.61	-0.24324	-0.03265	0.21059	1139.0115	0.154162	-422.497866	-422.488892	-422.487947	-422.531254	33.498
+C	 0.0659433687	-0.2410288145	-0.1950912094	-0.441058
+C	 1.5356973687	-0.0053055885	 0.0974890261	 0.027257
+C	 2.0438619011	-0.1520377351	 1.5628487118	-0.000811
+O	 1.2889390661	 1.0839475109	 1.9094392291	-0.311979
+C	 1.9754005757	 1.3818513047	 0.639186957	-0.018978
+C	 3.2829700113	 0.7357594615	 1.2468904223	 0.25772
+C	 3.9403119953	 1.4928635898	 2.3988809126	-0.486303
+C	 4.3493970258	 0.2239948708	 0.3109869461	 0.080807
+O	 4.5269961584	-0.9304617072	 0.0095349931	-0.255002
+H	-0.5617261457	 0.1990267375	 0.5817108327	 0.138652
+H	-0.2103756101	 0.198755449	-1.1594977139	 0.116532
+H	-0.1466910887	-1.3136996246	-0.2529304526	 0.120832
+H	 2.1835058518	-0.4480017733	-0.6603494698	 0.098301
+H	 1.9643169037	-0.9967891394	 2.2472975205	 0.100373
+H	 1.8430332697	 2.380448772	 0.218516855	 0.09446
+H	 4.5736731286	 0.8258520003	 2.9934460794	 0.129202
+H	 4.5747860998	 2.3034156811	 2.0233713749	 0.120458
+H	 3.1714247083	 1.9170892033	 3.0450787057	 0.153577
+H	 5.0240874317	 1.023664412	-0.0771164804	 0.075957
+19
+0 3095	2.8956477	1.5665181	1.1682083	3.5301	75.67	-0.23507	0.06571	0.30078	1087.749	0.156373	-422.463762	-422.455717	-422.454773	-422.496256	30.865
+C	 1.1909150735	 1.4796065562	-0.024359357	-0.449397
+C	 1.9898144573	 0.1851274857	-0.0398070143	 0.043308
+C	 1.6591167002	-1.05797884	-0.916321767	-0.068294
+O	 2.5536089253	-1.8490829023	-0.0368710582	-0.308352
+C	 1.7298298005	-1.0357465616	 0.8901207745	-0.068257
+C	 0.499661059	-1.4459586955	 0.0385903208	 0.537652
+C	-0.9571718355	-0.9441319097	 0.089640555	-0.38575
+C	-1.3106083006	-2.440783343	 0.1224083203	-0.092472
+O	 0.0846888647	-2.8085043904	 0.0716180051	-0.309315
+H	 1.4774778887	 2.0874996035	 0.8406482472	 0.124844
+H	 1.4122710095	 2.0681780102	-0.9212725041	 0.124839
+H	 0.1111496229	 1.3324370914	 0.0171845984	 0.124723
+H	 3.0645041715	 0.379916046	-0.0842381584	 0.090814
+H	 1.7547204473	-1.2043044123	-1.9930989203	 0.091489
+H	 1.9094698875	-1.1556325021	 1.95940161	 0.091487
+H	-1.2258412236	-0.3788341155	 0.9836515441	 0.119457
+H	-1.2958078569	-0.401464753	-0.7945828335	 0.119464
+H	-1.7929233258	-2.7982708084	 1.0394095128	 0.106875
+H	-1.8637606353	-2.8206810192	-0.7441946853	 0.106885
+19
+0 3096	2.8637117	1.5217297	1.1366393	2.2224	75.04	-0.24275	0.06548	0.30823	1098.7355	0.156424	-422.458715	-422.450641	-422.449697	-422.491321	30.703
+C	 1.178032862	 1.4292706464	 0.0993046221	-0.448457
+C	 2.0040922698	 0.1549596483	 0.1566727015	 0.040932
+C	 1.8107929469	-1.0483806851	-0.8101524929	-0.055364
+O	 2.5642382132	-1.8876317996	 0.1575246879	-0.315144
+C	 1.598112236	-1.1061739665	 0.9721339837	-0.055353
+C	 0.5245970732	-1.482680783	-0.0730372775	 0.368515
+C	-0.0553020641	-2.8959811806	-0.1880090246	-0.148997
+O	-1.3938377931	-2.3631666398	-0.3303901764	-0.282435
+C	-0.9304680007	-1.0050130073	-0.2314711509	-0.188456
+H	 1.3067978192	 2.0054441307	 1.0217958278	 0.127014
+H	 1.5157919961	 2.0620792718	-0.7283724346	 0.127008
+H	 0.1090290884	 1.253936791	-0.0340801908	 0.131009
+H	 3.0679310308	 0.3691422853	 0.2905920819	 0.087452
+H	 2.0679664644	-1.1475349536	-1.8662717741	 0.094025
+H	 1.6002237727	-1.2743557069	 2.0505897324	 0.094006
+H	 0.2556578734	-3.4703809556	-1.0688634801	 0.107851
+H	 0.0443398246	-3.5278886258	 0.7026523879	 0.107873
+H	-1.1503529555	-0.4271215962	-1.1389883904	 0.104249
+H	-1.3622951973	-0.4838752734	 0.6332844971	 0.104274
+19
+0 3097	2.8934258	1.6408707	1.2184197	1.8665	75.62	-0.23351	0.07401	0.30752	1045.5834	0.157543	-422.493029	-422.485208	-422.484264	-422.525205	30.636
+O	-0.1764681038	 0.1291693521	 0.6702314622	-0.440426
+C	-1.5012169731	-0.3441254092	 0.6862110385	 0.147071
+C	-1.8380703587	-1.4462313101	-0.3435715557	-0.16066
+C	-3.072312422	-1.7663789289	 0.5564978473	-0.24887
+C	-1.8919063564	-1.5811574546	 1.5575583515	-0.192803
+C	-1.0529846306	-2.432333194	 0.567002817	 0.552627
+C	 0.4629455865	-2.6781942797	 0.588692045	-0.364244
+C	 0.0815773763	-4.1629797023	 0.4578028677	-0.09549
+O	-1.3261637289	-3.8382725958	 0.4596329905	-0.336901
+H	-0.0520831231	 0.6984750484	 1.4357364043	 0.284423
+H	-2.224011581	 0.4810638544	 0.7235145749	 0.068167
+H	-1.8044836268	-1.366610957	-1.4305154561	 0.073776
+H	-3.8607797858	-1.0095357844	 0.5859956404	 0.088558
+H	-3.4729563121	-2.774501338	 0.4734154834	 0.128832
+H	-1.9216485448	-1.6557790399	 2.6459377731	 0.06669
+H	 1.0121638241	-2.2471767489	-0.2481421221	 0.12037
+H	 0.9596566119	-2.3978860949	 1.5182055536	 0.10761
+H	 0.3817515774	-4.6557905569	-0.474575871	 0.10117
+H	 0.349029381	-4.8073542303	 1.3035524654	 0.1001
+19
+0 3098	2.8549392	1.599453	1.1871321	3.0256	75.14	-0.23586	0.07022	0.30608	1056.5909	0.157452	-422.483833	-422.476011	-422.475067	-422.516003	30.475
+O	 0.8601381738	 0.8768719237	 0.5191527751	-0.434928
+C	-0.5304261444	 0.6774763784	 0.5443004586	 0.149592
+C	-1.2396668173	 0.2779856323	 1.879499077	-0.176918
+C	-2.5180016435	 0.9124969587	 1.2596216417	-0.245398
+C	-1.3706540623	 1.9156662374	 0.9362725718	-0.146158
+C	-0.8913735575	 1.6993684572	 2.3994802694	 0.381365
+C	 0.449557076	 2.1492634748	 2.9956668596	-0.168378
+O	-0.2215533579	 2.7412081324	 4.1316259114	-0.283035
+C	-1.5201547341	 2.3596790364	 3.6386348021	-0.175625
+H	 1.2882176215	 0.0197418809	 0.4304937616	 0.286857
+H	-0.877025959	 0.1370961391	-0.3470001742	 0.066066
+H	-1.1623425142	-0.6646632174	 2.424832697	 0.071015
+H	-2.9684290154	 0.3900128987	 0.4111822643	 0.093129
+H	-3.2778826863	 1.2568707024	 1.9625481644	 0.107628
+H	-1.4424401623	 2.8600580509	 0.3951178295	 0.078106
+H	 1.1336084923	 1.3464530438	 3.2950966054	 0.094228
+H	 1.0077206412	 2.8897069548	 2.4122906651	 0.108113
+H	-2.0426156773	 1.6851900978	 4.3312187208	 0.096668
+H	-2.1608703233	 3.2314688777	 3.4462986793	 0.097673
+19
+0 3099	2.835582	1.5773223	1.1731493	1.7871	75.47	-0.23453	0.05822	0.29275	1076.5996	0.156491	-422.472768	-422.464724	-422.46378	-422.505207	31.323
+O	 0.7035050826	 0.2812284902	-0.2461926344	-0.427175
+C	-0.6456796768	 0.4352366059	 0.0911432284	 0.126546
+C	-1.5536510993	-0.7837226979	 0.4528193082	-0.104085
+O	-2.6999735902	 0.0646644361	 0.0467064503	-0.314374
+C	-1.6935527934	 0.2400151729	-1.026942304	-0.06206
+C	-1.4658115684	-1.2953434758	-1.0036609821	 0.446183
+C	-2.4955778956	-2.2500298393	-1.6417692021	-0.301855
+C	-1.3853959943	-2.7285685458	-2.6219909044	-0.219689
+C	-0.3187178888	-2.0457906227	-1.7195831779	-0.310685
+H	 1.229366589	 0.3877439809	 0.5522109688	 0.291416
+H	-0.8449956426	 1.3131010285	 0.7155419624	 0.08508
+H	-1.6498999459	-1.3437752818	 1.3850715776	 0.082547
+H	-1.9522416538	 0.8978101261	-1.8581701456	 0.090878
+H	-2.8058498183	-3.0382982302	-0.9486424375	 0.099731
+H	-3.3934126078	-1.7981278873	-2.0680549324	 0.107409
+H	-1.2903654411	-3.8058190152	-2.7745996253	 0.095847
+H	-1.4644750535	-2.2488539979	-3.6013536082	 0.101437
+H	 0.1805339908	-2.7553516593	-1.0525483886	 0.098042
+H	 0.4466585973	-1.4388545476	-2.2031465532	 0.114809
+19
+0 3100	2.6901595	1.4636767	1.0820585	3.9978	77.11	-0.24114	-0.03807	0.20307	1152.0196	0.156874	-422.526723	-422.518415	-422.517471	-422.56059	31.646
+C	 1.398834805	-5.5074353137	 0.8990392198	-0.476067
+C	 2.0503668319	-4.2621235928	 1.4654673607	 0.362732
+O	 2.6116449706	-4.3088983123	 2.545832919	-0.329304
+C	 1.9206497366	-3.0259677594	 0.6006311057	-0.083857
+C	 1.8022183328	-1.5543039795	 1.1458840857	-0.124864
+C	 2.1275499319	-1.1105585386	-0.310773107	-0.226461
+C	 3.1531878023	-2.236051182	 0.0052561969	-0.118792
+C	 3.3535049678	-1.4977168807	 1.3825055344	 0.19837
+O	 3.9895148789	-2.0435358445	 2.4741615898	-0.455156
+H	 1.5926157845	-6.3610548925	 1.5486841199	 0.145331
+H	 0.3176593009	-5.3528251973	 0.8035923437	 0.14882
+H	 1.7767979209	-5.70789792	-0.1099902731	 0.146731
+H	 1.1758959786	-3.2467494425	-0.171080886	 0.06943
+H	 1.0064788692	-1.1774544456	 1.7902159256	 0.080015
+H	 1.3747191663	-1.3406220645	-1.0665183195	 0.097789
+H	 2.5299542599	-0.1031862213	-0.4360924719	 0.101311
+H	 3.9104033388	-2.6499393824	-0.6623742566	 0.079218
+H	 3.7654996245	-0.4916664901	 1.2566193585	 0.078975
+H	 3.5594143986	-2.8874188503	 2.7081372444	 0.305778
+19
+0 3101	3.2661601	1.1680913	1.0050439	2.8778	76.43	-0.23676	-0.01417	0.22259	1243.3112	0.15453	-422.504312	-422.495254	-422.49431	-422.539082	33.118
+C	-1.692527855	 0.8046679663	 4.4064507114	-0.444926
+C	-0.5320158917	 1.5488727735	 3.7694174976	 0.045082
+C	 0.5639708987	 0.8731848413	 2.8964089673	 0.028931
+O	 0.9218111766	 2.2179545257	 2.3869895779	-0.313519
+C	-0.5610206434	 2.1450386194	 2.3299101127	-0.005009
+C	-0.4466689041	 0.722881622	 1.7185372738	-0.082032
+C	 0.1231551112	 0.4645010712	 0.3286261359	 0.356393
+C	 0.5176509528	 1.6364235544	-0.5414935105	-0.484909
+O	 0.2295040395	-0.6834517022	-0.0429576083	-0.305194
+H	-1.3503958397	 0.2587226903	 5.2918645307	 0.12962
+H	-2.459553689	 1.5130994905	 4.7368800099	 0.127696
+H	-2.1706561586	 0.0852663321	 3.7373977378	 0.12768
+H	-0.0761022271	 2.2597343839	 4.46374587	 0.091174
+H	 1.3787402772	 0.2060275596	 3.178809241	 0.106147
+H	-1.0892014338	 3.0219519194	 1.9527122912	 0.096845
+H	-1.2706960352	 0.0281708537	 1.889124522	 0.097445
+H	 0.8939679651	 1.2734459336	-1.4986805347	 0.133206
+H	-0.3492232885	 2.2872917087	-0.7091225207	 0.129879
+H	 1.2691250351	 2.2381521066	-0.024026995	 0.165491
+19
+0 3102	3.4282739	1.0740811	0.9588589	2.406	76.35	-0.24034	0.08191	0.32225	1288.9809	0.156033	-422.46015	-422.451874	-422.45093	-422.493331	31.184
+C	 5.8936548314	-0.2366111608	 0.584577762	-0.444277
+C	 5.4908911847	-0.0930696545	-0.8731893199	 0.046439
+C	 5.0284526447	-1.27961351	-1.7679822397	 0.014478
+O	 4.454299325	-0.2852187981	-2.7075301622	-0.314809
+C	 4.0294262239	 0.1476926769	-1.3534268377	 0.008789
+C	 3.6580432946	-1.3275619693	-1.0314427674	-0.00406
+C	 2.4916419114	-1.9430959148	-1.7421595677	 0.055029
+C	 1.2611595215	-2.3000850476	-1.0226931307	-0.187113
+O	 2.2032272782	-3.3053036627	-1.3916951621	-0.240909
+H	 6.9013561711	-0.6591043454	 0.6584749793	 0.127452
+H	 5.9156678073	 0.7447692801	 1.070377813	 0.125366
+H	 5.2233797422	-0.8780340553	 1.1618148206	 0.124952
+H	 6.1811797077	 0.5522936898	-1.4226919088	 0.087824
+H	 5.6073335816	-2.0979580113	-2.1972612572	 0.09831
+H	 3.4132017671	 1.0456348979	-1.2872627916	 0.092765
+H	 3.6756316597	-1.62814394	 0.0183151103	 0.075554
+H	 2.4257250992	-1.7275707226	-2.8057792536	 0.111161
+H	 1.1845044985	-2.100718291	 0.0461872636	 0.107435
+H	 0.3120720802	-2.3252754513	-1.5566234602	 0.115615
+19
+0 3103	2.9824008	1.2485765	1.0533203	3.2576	76.51	-0.25326	0.07238	0.32564	1188.9741	0.157265	-422.478484	-422.470431	-422.469487	-422.51141	30.942
+O	 0.8957259245	-2.7091532476	-2.3123810711	-0.432897
+C	 0.3944912647	-1.9010244922	-3.3477053652	 0.155095
+C	 0.5589323499	-2.4247475674	-4.7963926111	-0.098982
+C	 0.2688325709	-0.9570283652	-5.232897343	-0.230469
+C	 1.2913806456	-0.8392046182	-4.0646565656	-0.128276
+C	 2.070722534	-2.0066214212	-4.7640131422	 0.051257
+C	 3.1396114003	-2.8205662796	-4.085933586	 0.011999
+C	 4.555472883	-2.4877195102	-4.3063514407	-0.182545
+O	 3.9595181753	-3.5871316523	-4.9873855198	-0.239579
+H	 0.8313448491	-2.2156347375	-1.4889506338	 0.285813
+H	-0.6160391573	-1.5470322542	-3.1018644203	 0.066248
+H	 0.1334449539	-3.3358081425	-5.2179242036	 0.080971
+H	 0.632186752	-0.6698321871	-6.2205301108	 0.102555
+H	-0.7393923012	-0.5779274535	-5.0475138218	 0.092078
+H	 1.708270301	 0.0780445273	-3.6441534731	 0.068319
+H	 2.4551646897	-1.7305948039	-5.7527328065	 0.070562
+H	 2.8736042925	-3.3448834071	-3.1761415497	 0.115325
+H	 4.8149359921	-1.6340905294	-4.9330781186	 0.103496
+H	 5.2960378602	-2.7450247182	-3.549624257	 0.109031
+19
+0 3104	2.9262716	1.3893916	1.1073564	2.676	74.78	-0.24088	0.06499	0.30587000000000003	1129.0457	0.156971	-422.465185	-422.457204	-422.45626	-422.497864	31.214
+O	-0.7038176174	 2.6329222898	 0.13777166	-0.432825
+C	 0.1514096615	 1.6005808817	-0.223427214	 0.154107
+C	 1.2900687389	 1.0149182944	 0.6811987621	-0.0396
+O	 1.3054977718	-0.1416307668	-0.2347531186	-0.296464
+C	-0.1267911458	 0.0880891806	 0.0490295536	-0.038482
+C	 0.250340819	 0.2419212342	 1.5533099986	 0.016024
+C	-0.6576904723	 0.8895606309	 2.5829324951	-0.085697
+C	-0.1957026814	 0.9974641146	 4.0138498303	-0.280606
+C	-0.35966695	 2.250839446	 3.199983216	-0.273401
+H	-0.9744419455	 2.5091356212	 1.0542944177	 0.29951
+H	 0.4890408602	 1.7837516385	-1.2444031465	 0.104582
+H	 2.2549860858	 1.4382673313	 0.965453923	 0.090423
+H	-0.8449027459	-0.5929062014	-0.4108907529	 0.090371
+H	 0.6798133128	-0.691521772	 1.9292121238	 0.090477
+H	-1.7119979937	 0.6520436845	 2.4606558117	 0.102388
+H	-0.9105134571	 0.7971788859	 4.8038393867	 0.119334
+H	 0.816561493	 0.6734045879	 4.2336415863	 0.121039
+H	-1.1895441867	 2.9110155398	 3.4310632238	 0.125102
+H	 0.5396373427	 2.7657912389	 2.8793233533	 0.133719
+19
+0 3105	2.8311629	1.2952704	1.0441672	1.9977	77.21	-0.27911	0.00743	0.28654	1193.5891	0.157041	-422.531633	-422.523228	-422.522284	-422.565472	31.165
+C	-3.3680065017	 0.3866702729	 1.9733748908	-0.450067
+C	-3.1166220392	 1.72009384	 1.2821777306	 0.066093
+C	-1.8222641013	 2.5846227961	 1.4904420043	-0.122786
+C	-2.2674530076	 3.3709071615	 0.217536508	-0.22905
+C	-2.4675711989	 1.866454278	-0.1407398931	-0.108027
+C	-1.0610140807	 1.6859026469	 0.4911483097	 0.205059
+O	-0.6236335882	 0.4028877398	 0.9590107148	-0.23031
+C	 0.1054665605	-0.322948889	 0.0967465565	 0.163251
+O	 0.3871918036	-0.0186190917	-1.0290471441	-0.300203
+H	-3.656274878	 0.5606048613	 3.0165588669	 0.114125
+H	-4.2066289737	-0.1290788453	 1.4914007011	 0.114199
+H	-2.5075543727	-0.27816138	 1.9670508459	 0.136669
+H	-4.0233821421	 2.3302624959	 1.3710520701	 0.067237
+H	-1.4372445717	 3.0022685	 2.4215046975	 0.076557
+H	-3.1785883576	 3.9618943806	 0.3185577668	 0.102957
+H	-1.491682972	 3.9124918363	-0.3287195979	 0.099348
+H	-2.8193086781	 1.4560479174	-1.0872701822	 0.083044
+H	-0.2355673457	 2.1436791514	-0.0554973957	 0.10349
+H	 0.4121678549	-1.2553973723	 0.59601151	 0.108416
+19
+0 3106	3.4881808	0.9220909	0.8229827	3.0601	77.2	-0.24724	-0.0209	0.22633999999999999	1425.9922	0.154891	-422.495418	-422.486541	-422.485597	-422.529916	32.274
+C	-2.5514528829	 4.4951307186	-0.3290593288	-0.445861
+C	-3.014458129	 3.2552069098	 0.4173503407	 0.047482
+C	-2.2270044924	 2.5940576567	 1.5858683893	 0.013801
+O	-3.0435392518	 1.3744571516	 1.3833481241	-0.309018
+C	-2.6167657296	 1.8011167861	 0.0296831411	 0.017991
+C	-1.1786826348	 2.0273405778	 0.5866053491	-0.005886
+C	-0.3525785159	 0.8198693313	 1.0213973315	-0.3142
+C	 0.2598158219	 0.0968295149	-0.1553740628	 0.159744
+O	 1.4315587282	-0.1495561139	-0.2838278363	-0.240192
+H	-2.7401658782	 5.3898969273	 0.273491976	 0.128321
+H	-1.4888173088	 4.4847121532	-0.5823020593	 0.125252
+H	-3.1141976574	 4.6064182855	-1.26191316	 0.12824
+H	-4.07948009	 3.3045849606	 0.6578779967	 0.090451
+H	-2.0835240441	 2.9349493168	 2.6124866835	 0.095459
+H	-2.9506551151	 1.1939956532	-0.8132039086	 0.096124
+H	-0.5702103107	 2.7655637316	 0.0593490461	 0.084467
+H	 0.4525351307	 1.1146638355	 1.7013655825	 0.117008
+H	-1.0220987722	 0.1236640424	 1.5420968999	 0.141292
+H	-0.4749657779	-0.2110661191	-0.9368611947	 0.069525
+19
+0 3107	2.8976242	1.4203231	1.2218772	2.9872	76.01	-0.24905	-0.0425	0.20654999999999998	1079.6082	0.157338	-422.514162	-422.506121	-422.505177	-422.546694	31.004
+O	 1.2006475187	 2.5007081931	-2.153476782	-0.465221
+C	 0.2822559755	 3.3650617475	-1.5521394373	 0.182718
+C	-1.2659246326	 3.156643735	-1.728722142	-0.100192
+C	-1.4121993927	 4.0887182844	-0.4957181932	-0.234706
+C	-0.271586647	 3.099250179	-0.1208736422	-0.113918
+C	-1.1954583066	 1.974699644	-0.7090850525	 0.028684
+C	-0.6761580535	 0.5810433524	-1.1470752844	-0.349477
+C	 0.3851617348	 0.0542251828	-0.2106533638	 0.155658
+O	 1.5052201305	 0.5144494938	-0.1461234029	-0.249963
+H	 1.5568329477	 1.8998976152	-1.4792639467	 0.299822
+H	 0.6011812055	 4.3998704996	-1.7288312326	 0.069338
+H	-1.8411682396	 3.1869086072	-2.6552894743	 0.072813
+H	-1.1231298238	 5.133626224	-0.6312870193	 0.096803
+H	-2.3390277161	 3.9981265957	 0.0739716059	 0.095626
+H	 0.2933467768	 3.0690133295	 0.8121259006	 0.077907
+H	-2.1125087138	 1.8451087203	-0.1254130386	 0.072429
+H	-1.5138721688	-0.1212816701	-1.1858767072	 0.101695
+H	-0.2279366745	 0.6511109574	-2.1406005617	 0.159877
+H	 0.1030754995	-0.7871857408	 0.4565739844	 0.100107
+19
+0 3108	3.7255542	1.2110623	1.1377444	1.633	76.71	-0.23059	0.00486	0.23545	1150.6373	0.157589	-422.552325	-422.544311	-422.543367	-422.584402	31.609
+C	 1.3457710975	 0.8328804967	 0.1496266183	-0.478765
+C	-0.056121656	 0.3094903212	 0.2328265744	 0.310536
+C	-1.152898846	 1.0271041568	-0.0295744757	-0.157159
+C	-2.4795066702	 0.317596506	 0.0728084251	-0.01428
+O	-2.3731119392	-0.9972842651	-0.579309216	-0.319144
+C	-1.7482303534	-1.4760620448	 0.6539417611	 0.028253
+C	-0.2518270181	-1.149032088	 0.618163467	-0.30964
+C	-2.5821582138	-0.4269841318	 1.4321168265	 0.18389
+O	-3.8703605359	-0.8693413599	 1.7698308824	-0.457257
+H	 1.8681643235	 0.7249240223	 1.1089867941	 0.124462
+H	 1.9327119542	 0.2693776123	-0.5874787039	 0.128015
+H	 1.3663166456	 1.8885370001	-0.1338608968	 0.123937
+H	-1.1120203574	 2.0776573012	-0.2990652667	 0.086858
+H	-3.3416814449	 0.8873292438	-0.2801653642	 0.075337
+H	-1.9628769724	-2.5314936573	 0.8466548554	 0.075907
+H	 0.2008769942	-1.351856484	 1.5990295666	 0.108455
+H	 0.2631072435	-1.804038984	-0.0982751247	 0.114591
+H	-2.1547723962	 0.0507539618	 2.3154338629	 0.088776
+H	-4.233505365	-1.2901752773	 0.9802270541	 0.287228
+19
+0 3109	2.841814	1.5806559	1.2851703	2.1333	76.08	-0.23532	0.01077	0.24609	1032.831	0.158316	-422.536515	-422.52869	-422.527746	-422.56836	30.983
+O	-0.6103318319	 0.498264786	-0.202215051	-0.441331
+C	-1.8659147044	 0.3268675267	 0.419848524	 0.117473
+C	-2.9479649967	 0.1923417793	-0.6880030829	 0.122799
+C	-3.1614723926	 1.7271610145	-0.5944190702	-0.270293
+C	-2.556990663	 1.6757676882	 0.8422778682	-0.106868
+C	-3.5997640506	 1.4531266537	 1.9008529076	-0.07505
+C	-4.6590239837	 0.6538095472	 1.7627529219	-0.07509
+C	-5.0552721647	-0.1212795348	 0.5253214303	-0.123996
+O	-4.0280000107	-0.6353092991	-0.309037219	-0.272148
+H	 0.023240313	 0.7688289552	 0.4700357391	 0.284224
+H	-1.8579825493	-0.4691324816	 1.1745897344	 0.068237
+H	-2.575899776	-0.2030814821	-1.6364248297	 0.09035
+H	-2.491126863	 2.2359341126	-1.2891376417	 0.115717
+H	-4.1709717422	 2.1250139813	-0.7090536357	 0.104078
+H	-1.8733552431	 2.4827213256	 1.1177821757	 0.058286
+H	-3.4516547593	 1.957539454	 2.8521971058	 0.087162
+H	-5.3581736635	 0.5572061657	 2.5904609614	 0.092915
+H	-5.6231367798	-1.0068716555	 0.8292253099	 0.115953
+H	-5.7502434984	 0.4953791629	-0.0703705881	 0.107584
+19
+0 3110	2.9081446	1.5381716	1.2541277	0.9257	75.71	-0.23641	0.00602	0.24243	1050.1634	0.15894	-422.547495	-422.539792	-422.538847	-422.579312	30.557
+O	 0.611830371	 0.7227255455	 0.4918198925	-0.446457
+C	-0.7751327334	 0.7431123237	 0.712114537	 0.148399
+C	-1.2352434772	 0.0754863873	 2.0307370887	 0.049881
+C	-2.6208609238	-0.5895530361	 2.0189281579	-0.236643
+C	-3.7933814247	 0.4022679238	 2.1937664136	-0.240165
+C	-3.798288076	 1.6249442285	 1.3022636764	-0.071181
+C	-2.7367445541	 2.363651065	 0.9728002503	-0.044663
+C	-1.3326343754	 2.034501644	 1.3815106802	-0.014738
+O	-1.264498455	 1.3775646143	 2.6812328869	-0.297649
+H	 1.044026666	 0.9924806642	 1.3107778677	 0.288608
+H	-1.2496026287	 0.4233900625	-0.2167736897	 0.092902
+H	-0.4797910256	-0.5786465744	 2.4814531874	 0.074733
+H	-2.7339319358	-1.1482228365	 1.0817007641	 0.106736
+H	-2.681067134	-1.3268747035	 2.8271857487	 0.102209
+H	-4.7290388759	-0.1481511448	 2.0490270928	 0.097131
+H	-3.7991247436	 0.7396739451	 3.2372114565	 0.133383
+H	-4.7734920249	 1.9409263969	 0.93892521	 0.09257
+H	-2.8619898035	 3.2322855523	 0.3312283361	 0.087897
+H	-0.6698226056	 2.9052873823	 1.3362632328	 0.077045
+19
+0 3111	3.2900346	1.2862819	1.2155569	2.5033	74.6	-0.24152	-0.01863	0.22289	1107.7526	0.157516	-422.577748	-422.56981	-422.568866	-422.610225	30.777
+C	-4.4142189602	-0.0001496006	-0.8666762946	-0.424238
+C	-2.8981883217	-0.0001589276	-0.7331570046	-0.000634
+C	-2.3394581524	-1.0108822913	 0.2980392612	 0.078511
+C	-0.857455756	-1.30114548	 0.0708250095	-0.32202
+C	-0.1017563543	-0.0001660586	-0.2398848478	 0.388111
+O	 1.0106972023	-0.0001966439	-0.7060148727	-0.309602
+C	-0.8574300646	 1.3008545406	 0.0707153873	-0.32202
+C	-2.3394381193	 1.0106398367	 0.2979544644	 0.078511
+O	-2.4358381211	-0.0000764677	 1.3420721396	-0.303526
+H	-4.8877939388	-0.0001031169	 0.1198581737	 0.135072
+H	-4.7611745754	 0.8842749859	-1.4112814422	 0.118517
+H	-4.7611919891	-0.884613555	-1.4112064106	 0.118517
+H	-2.4134940728	-0.0002049034	-1.7155374552	 0.076861
+H	-2.9297427693	-1.9025800837	 0.528440665	 0.080141
+H	-0.4251101168	-1.737282031	 0.979438042	 0.138562
+H	-0.6806838404	-2.0094999386	-0.7456278206	 0.125267
+H	-0.4250753035	 1.737059617	 0.9792911497	 0.138562
+H	-0.6806446067	 2.0091363309	-0.7457975817	 0.125267
+H	-2.9297049699	 1.9023686985	 0.5282811377	 0.080141
+19
+0 3112	2.5060086	1.6201488	1.4704463	4.4301	74.49	-0.25823	0.01168	0.26991000000000004	1005.2763	0.158617	-422.594307	-422.586588	-422.585644	-422.626336	30.266
+C	-1.8515826749	 0.055097098	 2.4627395822	-0.437809
+C	-2.5591095933	 0.0630063943	 1.1174572866	 0.019014
+C	-2.2951547542	-1.0226113798	 0.0207129383	-0.054076
+C	-2.6964245547	 0.058165552	-1.024620549	-0.252041
+C	-2.1669140218	 1.0754084722	 0.0085022019	 0.108571
+O	-0.7332396028	 1.1970474804	-0.0983923144	-0.235927
+C	-0.0028836898	 0.0519875969	-0.1821429105	 0.413867
+O	 1.1897578134	 0.1108329822	-0.2941436611	-0.334669
+C	-0.7898780812	-1.2591752529	-0.1133230651	-0.350267
+H	-2.1371049216	-0.8278327973	 3.0447324371	 0.120686
+H	-0.7626174821	 0.0561914591	 2.3678544972	 0.137815
+H	-2.1263190871	 0.939716125	 3.046824661	 0.124865
+H	-3.6412274118	 0.1427355795	 1.267479365	 0.084256
+H	-2.8586437271	-1.9572050558	 0.0634033636	 0.070871
+H	-2.2087329724	 0.0431973374	-2.0026807965	 0.10945
+H	-3.7782371273	 0.1392950693	-1.1496391273	 0.110688
+H	-2.5409237226	 2.0989935333	 0.0320106934	 0.088327
+H	-0.5536922523	-1.8254615569	-1.020787358	 0.138111
+H	-0.3806083263	-1.8353767873	 0.7232267158	 0.138269
+19
+0 3113	2.487341	1.5672107	1.4727795	3.8454	74.09	-0.22965	-0.00834	0.22131	1005.0852	0.158175	-422.585556	-422.577635	-422.576691	-422.618349	30.973
+O	-1.9298758236	 0.0102227327	 2.2918802383	-0.431991
+C	-2.6927136216	-0.0497470396	 1.1095988729	 0.144398
+C	-2.3601452658	 1.0437167081	 0.0678990754	-0.061278
+C	-2.7464204946	-0.000838719	-1.0192822155	-0.240448
+C	-2.3373102445	-1.0951948769	 0.0076819496	-0.089904
+C	-0.823398741	-1.3141247049	-0.0261765581	-0.304273
+C	-0.0343241699	 0.0021234039	-0.0442182577	 0.408468
+O	 1.1698055876	 0.0144364085	-0.1257345009	-0.32278
+C	-0.8498458935	 1.2969523935	 0.0430595573	-0.309282
+H	-2.2038272294	-0.703659958	 2.8760563774	 0.287921
+H	-3.7694634792	-0.0654415217	 1.3252041433	 0.070436
+H	-2.9236935875	 1.9782238673	 0.1154149392	 0.068548
+H	-3.8184701763	-0.0063242513	-1.2294382083	 0.103075
+H	-2.1963682286	 0.0314871727	-1.9640888692	 0.101423
+H	-2.8846995756	-2.0415332369	-0.0001460352	 0.061537
+H	-0.4808450543	-1.8804758986	 0.8471155841	 0.124834
+H	-0.5260395015	-1.8930002528	-0.9082915942	 0.12413
+H	-0.5220297065	 1.8245633784	 0.9449135908	 0.142877
+H	-0.5703027841	 1.9264108744	-0.8097954892	 0.122309
+19
+0 3114	2.6461102	1.6065531	1.3079197	2.3831	75.99	-0.23758	0.02716	0.26474000000000003	1037.7237	0.158348	-422.553892	-422.546098	-422.545154	-422.58573	30.723
+O	 0.5696201885	 0.29792781	-0.0218283588	-0.440587
+C	-0.7861975845	 0.6132943856	 0.2059831999	 0.087852
+C	-1.6434755879	-0.5382325927	 0.7834341327	 0.057781
+C	-2.8174226362	-0.1026699023	 1.646646368	-0.266982
+C	-3.6894532978	 0.9901877284	 1.0796046657	-0.049402
+C	-3.6678830167	 1.5682265946	-0.1243129809	-0.047537
+C	-2.7623347951	 1.316812407	-1.303888714	-0.270728
+C	-1.6083967733	 0.3562226048	-1.0676886767	 0.089279
+O	-2.079438037	-0.912548843	-0.5456213922	-0.29847
+H	 1.025810992	 0.2986423796	 0.8259107177	 0.282877
+H	-0.9043673591	 1.5948847358	 0.6813078543	 0.075195
+H	-1.0720000648	-1.3436123508	 1.2601758177	 0.071674
+H	-3.4470623004	-0.9812516547	 1.8491042365	 0.121538
+H	-2.433802171	 0.2131897306	 2.6289816062	 0.101076
+H	-4.4588819289	 1.3301725205	 1.7711392315	 0.084591
+H	-4.4215207017	 2.3312667952	-0.3130550291	 0.085104
+H	-3.3702883921	 0.9320980071	-2.1354599005	 0.121674
+H	-2.3537657765	 2.27478552	-1.6588165196	 0.108578
+H	-1.0016378475	 0.2216374945	-1.9688684782	 0.086487
+19
+0 3115	2.2033754	1.797048	1.2969466	2.3705	75.49	-0.25222	0.07921	0.33143	1052.2656	0.155584	-422.508174	-422.499517	-422.498572	-422.541006	33.235
+C	-1.0311773983	 2.6906530047	 3.537147091	-0.501963
+C	-1.4495893309	 1.7840828393	 2.416501981	 0.274842
+C	-2.7299849596	 0.9843406247	 2.4007190686	-0.341625
+C	-1.4268660832	 0.249323418	 2.2754426219	-0.145411
+C	-0.9556270951	 0.3474660862	 0.8079242941	 0.084329
+O	 0.3099339353	-0.1775268824	 0.5193403691	-0.446896
+C	-0.9338712377	 1.8882959005	 0.9981788251	 0.322031
+C	-0.8473177641	 2.9802099502	 0.0304900872	-0.272537
+O	 0.3197782677	 2.5229045296	 0.7510678461	-0.286753
+H	 0.0477299834	 2.8704424871	 3.5104319094	 0.135083
+H	-1.5346949425	 3.6630358617	 3.4757485357	 0.119755
+H	-1.2838465408	 2.2506184809	 4.5068437202	 0.121574
+H	-3.2261128103	 0.9088246278	 3.3634100855	 0.116957
+H	-3.4143901795	 1.0353579727	 1.555623578	 0.106303
+H	-1.089109469	-0.4993452132	 2.9807821242	 0.098236
+H	-1.6785994084	-0.0460102548	 0.0813375064	 0.076575
+H	 0.9215186856	 0.5727812314	 0.5096423469	 0.294527
+H	-0.8445059808	 2.7597219803	-1.035810658	 0.123629
+H	-1.1819950021	 3.9810462153	 0.2984293376	 0.121343
+19
+0 3116	2.118394	1.7704527	1.2676768	2.4462	75.25	-0.2433	0.06738	0.31067999999999996	1072.4068	0.155083	-422.506072	-422.497252	-422.496308	-422.539041	33.75
+C	-3.0275728283	 1.9705539892	-1.5571706392	-0.514341
+C	-2.3462235002	 1.3471387476	-0.3836450476	 0.344262
+O	-3.1388996112	 0.5399799674	 0.5130666536	-0.284187
+C	-1.9632889475	-0.0429045569	-0.06133768	-0.117656
+C	-0.7745101011	 0.425641913	 0.8131825327	 0.033812
+O	 0.5077391594	 0.0303616525	 0.3915406487	-0.425993
+C	-1.1918647192	 1.8806136518	 0.4564129271	 0.275555
+C	-1.1167627276	 3.1279542169	 1.2775281509	-0.328719
+C	-0.2172865275	 2.9583467874	 0.0731376012	-0.34082
+H	-3.7089035836	 1.2536610928	-2.0224722807	 0.138935
+H	-3.6145042571	 2.8436919845	-1.2496349947	 0.132601
+H	-2.2986724473	 2.2999789098	-2.304445269	 0.124612
+H	-2.0671011729	-0.9668786524	-0.6211500965	 0.102942
+H	-0.8590686531	 0.1450983997	 1.8657608616	 0.103255
+H	 0.6437814896	 0.3710080864	-0.5000346556	 0.280958
+H	-1.9344594932	 3.8384470623	 1.2101888741	 0.115825
+H	-0.6656010587	 3.0585442072	 2.261904509	 0.121755
+H	-0.4240322668	 3.5567662676	-0.8086622353	 0.114297
+H	 0.8360877963	 2.7614283132	 0.2468553798	 0.122908
+19
+0 3117	2.1506779	1.8453127	1.2898319	1.3105	75.66	-0.23031	0.07558	0.30589	1054.0539	0.155527	-422.506848	-422.498212	-422.497268	-422.539621	33.282
+C	 1.1423273824	-0.7877659748	-0.8309555525	-0.396198
+C	 1.0481101836	 0.1405596423	 0.3739198706	-0.086611
+C	 1.7351959858	 1.5141521965	 0.2125627858	-0.153483
+C	 1.6751269088	 2.276589266	 1.5207246783	-0.343166
+C	 2.688785996	 1.1943093329	 1.3892892782	 0.366936
+O	 4.0245561276	 1.4183275946	 1.6176944049	-0.454447
+C	 2.0642088801	-0.1732988255	 1.4994769152	 0.337988
+C	 2.1272623788	-1.1599417545	 2.5758321761	-0.271571
+O	 2.9421833417	-1.2927287839	 1.3913903786	-0.285761
+H	 0.799713714	-1.7961073711	-0.580328185	 0.120121
+H	 0.5220054474	-0.411983396	-1.6510226296	 0.113802
+H	 2.1730749595	-0.8677467482	-1.1879268959	 0.124031
+H	 0.0097935284	 0.2076260573	 0.7222679876	 0.072531
+H	 1.9253773903	 2.007408327	-0.7326002164	 0.093262
+H	 2.1059308568	 3.2726992606	 1.4809090159	 0.124289
+H	 0.8185856329	 2.1848055469	 2.1868904259	 0.104792
+H	 4.4849861648	 0.6175614007	 1.3322497707	 0.294376
+H	 2.6731859401	-0.9314483083	 3.4899295809	 0.120946
+H	 1.3440732612	-1.9100400924	 2.6751913107	 0.118163
+19
+0 3118	2.1465416	1.7919448	1.2855985	0.4471	75.22	-0.24723	0.07897	0.3262	1071.1469	0.154382	-422.501913	-422.492927	-422.491983	-422.535246	33.478
+C	 0.6521490555	 0.8987572677	-0.1047382688	-0.396117
+C	 0.9251048477	-0.5644551447	 0.2234760363	-0.135819
+C	 2.0854311228	-0.8171076502	 1.2105252154	-0.053481
+O	 2.3052209054	-2.2336326698	 1.2533634998	-0.291178
+C	 2.9172853954	-1.4827271872	 0.1866804633	 0.32665
+C	 4.3857387897	-1.5898028236	-0.0491588388	-0.514923
+C	 1.8010584245	-1.2899469797	-0.8367924099	 0.400029
+C	 1.4738096367	-2.0466401044	-2.0406440706	-0.265398
+O	 2.0439112737	-0.7247261845	-2.1127055656	-0.273823
+H	 0.1756936306	 1.4029416881	 0.74212428	 0.115144
+H	 1.5772718315	 1.4316085164	-0.3455750203	 0.123612
+H	-0.0098627608	 0.9853480771	-0.9706924256	 0.129209
+H	 0.007077537	-1.090989353	 0.5012112553	 0.087474
+H	 2.3729228877	-0.2370253816	 2.0809931314	 0.103812
+H	 4.9344481823	-1.4878146462	 0.8906289384	 0.135031
+H	 4.6396706227	-2.5612455974	-0.488107426	 0.131935
+H	 4.7138260714	-0.8106394215	-0.7432749814	 0.140952
+H	 2.1250368509	-2.8528625435	-2.3748014567	 0.117858
+H	 0.4375272453	-2.1197507121	-2.3671291861	 0.119032
+19
+0 3119	2.0945032	1.7858244	1.2868794	1.2543	75.74	-0.23443	0.06048	0.29491	1057.9294	0.155934	-422.511068	-422.502465	-422.501521	-422.543665	33.785
+O	 0.285789617	-0.1042466955	 0.4730437952	-0.430425
+C	-0.9320758514	 0.392646078	 0.9797278971	 0.079575
+C	-2.2050400868	-0.060872142	 0.2461252133	-0.211669
+C	-3.4125070534	 0.6465692837	 0.8369333628	-0.317366
+C	-2.5402778724	 1.4041187963	-0.100198101	 0.340748
+O	-3.084238058	 1.9943830806	-1.2227841806	-0.45191
+C	-1.2739712292	 1.8583638611	 0.6019328346	 0.244677
+C	-0.2747550549	 2.8265850328	 0.037679037	-0.352517
+C	-0.997264547	 3.1363450329	 1.3316491776	-0.336788
+H	 0.3180992279	 0.106706842	-0.4669632736	 0.274242
+H	-0.9105979498	 0.1776315996	 2.0532463331	 0.088622
+H	-2.2971643716	-0.974800124	-0.3284254574	 0.093424
+H	-4.3603823071	 0.3371515205	 0.4074803408	 0.120362
+H	-3.4521760415	 0.8933547374	 1.8961359636	 0.108432
+H	-2.3984414652	 2.0398914527	-1.8989445119	 0.283059
+H	 0.7742541574	 2.5528924723	 0.0880049533	 0.123892
+H	-0.5536729023	 3.4003896843	-0.841632004	 0.107305
+H	-0.4267908501	 3.0848642329	 2.2534663408	 0.117657
+H	-1.7585397217	 3.9098140242	 1.3144235695	 0.118679
+19
+0 3120	1.8852827	1.5132305	1.0749611	3.6979	76.82	-0.23668	-0.02558	0.2111	1201.874	0.154913	-422.538163	-422.528927	-422.527983	-422.572326	34.064
+C	 0.8955154102	-1.0831321486	-3.5078823864	-0.497873
+C	 0.5785630623	-1.3413495807	-2.0622323413	 0.336282
+C	 0.793814035	-2.6786313409	-1.4012697424	-0.337888
+C	-0.5896951907	-2.088994948	-1.4089194723	-0.158591
+C	-0.6842984228	-1.0372385277	-0.2956643455	 0.144758
+O	-1.8944850005	-0.3414007984	-0.1808109947	-0.429103
+C	 0.4882512435	-0.2267604349	-0.9942803031	-0.179182
+C	 1.7141211563	 0.1230710922	-0.198002954	 0.141675
+O	 2.0701875456	 1.2486525034	 0.0508627945	-0.254335
+H	 0.7039013705	-1.9733445834	-4.115884072	 0.12282
+H	 0.2901171478	-0.2634541015	-3.9111635254	 0.118937
+H	 1.9494438193	-0.8119388997	-3.641585922	 0.129923
+H	 0.9509582025	-3.5034568031	-2.0893232251	 0.119083
+H	 1.3405907289	-2.7813803028	-0.4671098055	 0.11322
+H	-1.4391736841	-2.5928267803	-1.8562341525	 0.094223
+H	-0.4625263771	-1.4076676914	 0.7105356135	 0.097749
+H	-2.1486861897	-0.0261164961	-1.055498984	 0.282442
+H	 0.069750034	 0.6983499354	-1.4017254417	 0.086353
+H	 2.298453179	-0.7495909737	 0.1741749398	 0.069508
+19
+0 3121	2.1529151	1.5581931	1.0748647	3.0193	76.27	-0.23947	-0.02025	0.21922	1164.2189	0.15486	-422.536088	-422.526918	-422.525974	-422.570153	34.054
+C	 0.7988842732	-0.6019426033	-0.725564337	-0.421486
+C	 0.9407823951	 0.0928880584	 0.6251248655	 0.01471
+C	 1.5648879055	 1.4958771803	 0.5853547601	-0.109066
+C	 1.6655463597	 2.047256874	 1.9907938313	-0.360032
+C	 2.6792054303	 1.0489600356	 1.5144137043	 0.396511
+O	 4.0293355164	 1.3378061305	 1.4155638371	-0.458524
+C	 2.121365295	-0.3882856869	 1.5776296122	-0.197177
+C	 3.0463589454	-1.4074449155	 0.9650303002	 0.16522
+O	 3.2587804526	-2.495275985	 1.4403009097	-0.2664
+H	 0.5592122454	-1.663478855	-0.6056490881	 0.130016
+H	-0.0111920733	-0.1382359171	-1.298336417	 0.120199
+H	 1.7091444221	-0.5259884571	-1.3277170405	 0.124304
+H	-0.0220660671	 0.0634404319	 1.1480926232	 0.081616
+H	 1.6045226415	 2.1396642674	-0.2850909612	 0.096444
+H	 2.0479812617	 3.0616791089	 2.0484157632	 0.118202
+H	 0.9214525582	 1.7932348101	 2.7433063776	 0.107955
+H	 4.3812041193	 1.4673681897	 2.303696147	 0.291021
+H	 1.8165417634	-0.753023572	 2.5632028199	 0.08025
+H	 3.5479471054	-1.0887139647	 0.0267133324	 0.086236
+19
+0 3122	1.8803056	1.5654323	1.0813006	3.3279	76.57	-0.23813	-0.02386	0.21427000000000002	1203.5501	0.154087	-422.536845	-422.527478	-422.526533	-422.571183	33.954
+C	 0.5628999537	-0.3260964067	-1.0904974955	-0.413879
+C	 0.7271828919	 0.276807674	 0.2977822934	-0.027502
+C	 1.5807627807	 1.5530830104	 0.3725467813	-0.047882
+O	 1.73204657	 1.8804139403	 1.7607259314	-0.286502
+C	 2.6124246602	 0.8977095547	 1.1938653651	 0.392269
+C	 4.0860886518	 1.0889718738	 1.3408730691	-0.502058
+C	 1.8240347556	-0.4423955135	 1.1877300578	-0.165906
+C	 1.3920576099	-0.9622332691	 2.5312976764	 0.149389
+O	 1.4906651084	-2.1129584159	 2.88155604	-0.262937
+H	 0.1282827418	-1.3286885093	-1.0324596152	 0.133126
+H	-0.0975318697	 0.2923796619	-1.7078249624	 0.122892
+H	 1.5256718169	-0.4067644539	-1.6071961746	 0.119538
+H	-0.2432301555	 0.3913702663	 0.791169255	 0.091007
+H	 1.6479125013	 2.3703608861	-0.3378948135	 0.105994
+H	 4.4123334615	 0.8375829411	 2.3562087217	 0.138861
+H	 4.6322163035	 0.4461328235	 0.6435000751	 0.130561
+H	 4.3533619883	 2.1307194208	 1.1447832615	 0.138682
+H	 2.3325683596	-1.2353364648	 0.6339918979	 0.091425
+H	 0.9575088203	-0.1887044496	 3.2000299855	 0.092923
+19
+0 3123	2.7162442	1.3688262	1.1108951	0.9456	77.48	-0.23628	0.00279	0.23906999999999998	1173.9834	0.15487	-422.55822	-422.549001	-422.548057	-422.591646	34.472
+C	 1.3624765049	 0.7701565742	 0.5060298364	-0.493908
+C	-0.0279320381	 0.2404821166	 0.3719318713	 0.323461
+C	-1.1736224277	 0.9253090615	 0.2866980046	-0.249069
+C	-2.3598024033	 0.0152875503	 0.2124461949	 0.408491
+C	-3.6463509141	 0.4333271894	-0.4398762521	-0.491315
+O	-2.4896196365	-0.8200393438	 1.4035815272	-0.301918
+C	-1.8147778273	-1.349337478	 0.2631392142	-0.080854
+C	-0.2894732425	-1.2589215281	 0.3502904627	-0.018715
+O	 0.3624219558	-1.8320560466	-0.7773496873	-0.429863
+H	 1.8064318249	 0.4777436447	 1.4664584087	 0.127157
+H	 2.0052603721	 0.3557593608	-0.2782496993	 0.144123
+H	 1.3856252008	 1.8609483742	 0.4403269159	 0.122623
+H	-1.2595620492	 2.0062608167	 0.2999455318	 0.094647
+H	-4.1000442764	 1.2724854421	 0.0989836912	 0.127606
+H	-3.4702008947	 0.7528361594	-1.4722794053	 0.127986
+H	-4.360907702	-0.3931923693	-0.4436957736	 0.130516
+H	-2.2772765171	-2.2061409191	-0.2245587272	 0.087599
+H	 0.0689145798	-1.7187641685	 1.2850140859	 0.084522
+H	 0.3723383106	-2.7876462464	-0.6622738901	 0.286911
+19
+0 3124	2.7591134	1.4172036	1.0678616	0.9012	77.06	-0.22448	0.00695	0.23143000000000002	1156.4871	0.155919	-422.559173	-422.550212	-422.549267	-422.592151	34.514
+C	 1.2946852627	 0.8543694008	 0.3244865777	-0.484832
+C	-0.0229387982	 0.1516815217	 0.2972219373	 0.286218
+C	-0.2730914112	-1.1586209856	 0.3693102427	-0.302715
+C	-1.7308488433	-1.4669250729	 0.2035156356	 0.40869
+O	-2.3054334521	-2.5291941414	 0.896866865	-0.466645
+C	-2.3044632704	-1.1336314635	-1.1413911699	-0.326636
+C	-2.397447125	-0.1211134132	-0.003592253	-0.161647
+C	-1.3184595236	 0.9506323145	 0.1085296153	 0.028454
+O	-1.253157367	 1.8674427553	-0.9801239039	-0.428485
+H	 1.3551240548	 1.5402909611	 1.1797380044	 0.125853
+H	 2.1313766917	 0.1538373687	 0.3862945883	 0.120294
+H	 1.4156130565	 1.4729702014	-0.5717474976	 0.137359
+H	 0.4671481791	-1.9441377274	 0.4840893652	 0.095508
+H	-2.193613428	-2.359832512	 1.839338867	 0.280849
+H	-1.6232536771	-0.9788002668	-1.9731554859	 0.104082
+H	-3.2400065417	-1.6178252143	-1.4010149817	 0.12341
+H	-3.3866684466	 0.0743595542	 0.3913874091	 0.0923
+H	-1.499972443	 1.5907317794	 0.9823527649	 0.088081
+H	-1.2990499674	 1.3491829698	-1.7917120305	 0.279865
+19
+0 3125	2.6209476	1.4022033	1.1991645	1.8594	75.34	-0.23661	-0.02763	0.20898	1119.2794	0.156255	-422.581275	-422.572546	-422.571602	-422.614607	33.245
+C	-3.3012303653	 1.57301874	-0.4398597361	-0.482967
+C	-2.2239087098	 0.7278722659	 0.1948351341	 0.34899
+C	-2.5173945622	-0.0512913466	 1.4545068924	-0.3491
+C	-2.2683553576	-0.7947270509	 0.162868227	-0.079547
+C	-0.8819598437	-1.3487507764	-0.0275739702	 0.035886
+O	-0.7457891592	-1.8020852287	-1.3722555786	-0.441168
+C	 0.052509005	-0.1257063747	 0.1545292553	 0.347873
+O	 1.2466191202	-0.2040340935	 0.2883895212	-0.31957
+C	-0.7735528248	 1.157392756	 0.0374407973	-0.387603
+H	-3.3486133639	 2.5688830244	 0.015980405	 0.119715
+H	-3.1190362338	 1.7055158065	-1.5125415048	 0.121655
+H	-4.2857153345	 1.1087072234	-0.3232876493	 0.117333
+H	-1.7653131103	-0.0957552348	 2.2388011524	 0.113621
+H	-3.5357553665	-0.0386681397	 1.8274195802	 0.116453
+H	-3.0887101022	-1.3193306452	-0.3134611859	 0.097438
+H	-0.6199692972	-2.1425577818	 0.686487409	 0.08452
+H	 0.1750355072	-2.0634485361	-1.4906690037	 0.293395
+H	-0.4310970014	 1.9017868145	 0.7634892711	 0.127825
+H	-0.59683567	 1.5787362075	-0.9614508165	 0.13525
+19
+0 3126	2.5654962	1.4820011	1.2216637	4.1413	75.24	-0.26427	0.0118	0.27607	1112.3344	0.156434	-422.59872	-422.590098	-422.589154	-422.631747	32.68
+C	-0.5419860837	 2.0849380253	 1.2095860508	-0.406762
+C	-0.7661018864	 1.2732888763	-0.0737282583	-0.14277
+C	-2.1810818667	 0.76064393	-0.2499169182	-0.108489
+C	-2.4781145133	-0.0645924226	-1.4926295424	-0.361389
+C	-2.0989846687	-0.743250756	-0.2081507689	 0.428746
+C	-2.9946244425	-1.672816423	 0.5557300425	-0.467056
+O	-0.7243915065	-1.1093707154	-0.1201417949	-0.250952
+C	 0.0816658404	-0.0095212737	-0.0519363327	 0.408996
+O	 1.272623604	-0.0950520427	 0.0177193672	-0.340448
+H	-0.8892433925	 1.5349542857	 2.0902750473	 0.124184
+H	 0.5221501797	 2.2971803393	 1.3375807556	 0.145297
+H	-1.0853513087	 3.0331967609	 1.1643516248	 0.120688
+H	-0.427334852	 1.8667646719	-0.9306238354	 0.113939
+H	-2.9961175353	 1.2859856051	 0.2348922527	 0.097603
+H	-3.5138675857	-0.1290462222	-1.8080613102	 0.120789
+H	-1.7553606461	-0.0656164723	-2.3030125952	 0.125398
+H	-2.708620424	-1.70972363	 1.6115961043	 0.131067
+H	-4.0326859855	-1.3354241455	 0.489494751	 0.123592
+H	-2.9391521766	-2.688293791	 0.1509783299	 0.137567
+19
+0 3127	2.6019239	1.3903641	1.1710977	2.3181	74.81	-0.23845	-0.02124	0.21721	1126.0976	0.155937	-422.58087	-422.572138	-422.571194	-422.614043	33.477
+C	-0.4508969551	 2.0529149381	 1.2197643774	-0.404851
+C	-0.7674745876	 1.3141571124	-0.0923571937	-0.090861
+C	-2.1905249591	 0.793403948	-0.1681840924	-0.119249
+C	-2.5635591326	-0.0427194148	-1.3802449926	-0.337766
+C	-2.1842833381	-0.7298925203	-0.1077556337	 0.4157
+O	-3.1965738442	-1.4567567156	 0.5159240658	-0.469346
+C	-0.748317385	-1.2022940619	 0.022578647	-0.40072
+C	 0.1118755138	 0.0498337392	-0.2018353669	 0.380071
+O	 1.2969106179	 0.0543105255	-0.410083589	-0.315769
+H	-0.6798574005	 1.4312194379	 2.0924910789	 0.11204
+H	 0.6084539105	 2.3194102527	 1.2589300562	 0.138938
+H	-1.0433938591	 2.9694722664	 1.297546125	 0.122233
+H	-0.5130305399	 1.9723698879	-0.9320064251	 0.101422
+H	-2.9849243734	 1.3472216998	 0.3202458427	 0.08974
+H	-3.616238841	-0.0793427944	-1.6351430858	 0.127503
+H	-1.8878334357	-0.0768825841	-2.2308259321	 0.115964
+H	-3.0510591315	-1.4217046988	 1.4682944915	 0.279231
+H	-0.5555767263	-1.5698213434	 1.0407316823	 0.120477
+H	-0.4591120534	-2.0020605545	-0.6652087958	 0.135242
+19
+0 3128	2.6782934	1.4002091	1.1514736	3.0314	74.93	-0.24363	-0.01955	0.22408	1143.4851	0.155312	-422.584304	-422.575403	-422.574459	-422.617914	33.234
+C	-0.4527764406	 2.0018226896	-1.3540948455	-0.410527
+C	-0.7843067056	 1.3035007985	-0.0263488495	-0.126745
+C	-2.1940815493	 0.7616313843	 0.0506897262	-0.022144
+O	-2.4629647543	 0.0783225955	 1.2826731914	-0.303802
+C	-2.203439973	-0.7155728786	 0.1099921647	 0.403055
+C	-3.3335663574	-1.5804927465	-0.3745650521	-0.483781
+C	-0.7739303475	-1.2186230365	 0.1000793638	-0.393278
+C	 0.0954406728	 0.0483906319	 0.1656211014	 0.394423
+O	 1.2897721452	 0.0647317811	 0.3017948577	-0.311449
+H	-0.6625120214	 1.3525987887	-2.2112124045	 0.118372
+H	-1.0432100408	 2.9154334677	-1.4717740617	 0.122884
+H	 0.6068160537	 2.266923169	-1.3807024119	 0.145328
+H	-0.584669139	 1.9887759467	 0.8050650658	 0.116273
+H	-3.0272810619	 1.3272603721	-0.3622415521	 0.09333
+H	-3.422290622	-2.4830310444	 0.2398386372	 0.132076
+H	-4.2808809943	-1.0380233931	-0.3205861451	 0.132302
+H	-3.1672950898	-1.8953588074	-1.4102203897	 0.123265
+H	-0.5471021653	-1.8786470852	 0.9426850475	 0.141194
+H	-0.5357224597	-1.7682778636	-0.8192113435	 0.129224
+19
+0 3129	2.1649277	1.3149238	1.2155724	2.1931	77.37	-0.24798	-0.0235	0.22448	1164.7151	0.155191	-422.545658	-422.536506	-422.535562	-422.579426	33.929
+C	 0.9969411423	-0.7552569963	-0.7764270875	-0.4267
+C	 1.1055073795	 0.1474299482	 0.4450564508	-0.090421
+C	 1.924327049	-0.3190287045	 1.6988689383	 0.149067
+O	 1.1911107937	-0.5269955763	 2.8787990322	-0.435371
+C	 2.7605464141	 0.974483696	 1.6377645128	-0.153735
+C	 3.4450918236	 1.0981612259	 0.3261137769	-0.341916
+C	 1.9652029908	 1.4190701777	 0.3693140969	 0.263499
+C	 1.4565337171	 2.7661792059	 0.1008280205	 0.050001
+O	 0.3150569706	 3.0162451796	-0.2128061074	-0.273899
+H	 0.4551661056	-1.674263879	-0.529351586	 0.125016
+H	 0.456362144	-0.2507658791	-1.5833273535	 0.133398
+H	 1.9808199413	-1.0433694211	-1.1612836856	 0.112645
+H	 0.1025142309	 0.4292963098	 0.783678871	 0.090697
+H	 2.5128654224	-1.2313781373	 1.5545920217	 0.093199
+H	 0.5988044019	 0.223017125	 3.004216819	 0.282092
+H	 3.0225819545	 1.5825584486	 2.4960425099	 0.107643
+H	 4.1001999159	 1.956759159	 0.2093404762	 0.127809
+H	 3.7737714447	 0.2136120145	-0.2130810014	 0.124124
+H	 2.211953788	 3.5776484535	 0.2277338551	 0.062851
+19
+0 3130	2.4024055	1.5784742	1.150682	3.443	77.78	-0.25181	-0.0329	0.21891	1113.108	0.155934	-422.546084	-422.537303	-422.536358	-422.579299	33.159
+C	 2.3948714362	-0.7196608574	-1.4258342701	-0.394673
+C	 1.6342710901	-0.2535148216	-0.1925331402	-0.010151
+C	 1.8488196455	 1.2270584402	 0.1715176776	-0.094394
+C	 1.2023780403	 1.5792850885	 1.4574413493	-0.350274
+C	 2.5031398685	 0.8011651841	 1.5238968279	 0.23803
+C	 3.7136527401	 1.337134589	 2.1293040418	 0.059662
+O	 4.6162813972	 0.6480862868	 2.5681286298	-0.301162
+C	 2.2727655214	-0.6811748699	 1.1830047598	 0.046136
+O	 3.4530237218	-1.4210704361	 1.0238335049	-0.435042
+H	 2.3169293547	-1.8035346435	-1.5454293075	 0.127681
+H	 1.9854213968	-0.245056144	-2.3241134733	 0.106069
+H	 3.4562814445	-0.4736097172	-1.3514410808	 0.129575
+H	 0.5739696394	-0.5175142883	-0.2801628296	 0.073711
+H	 2.2223442486	 1.9854923068	-0.5076458845	 0.103831
+H	 1.2709346911	 2.6189007169	 1.7648274746	 0.127321
+H	 0.2930548156	 1.0759532367	 1.7777358871	 0.126106
+H	 3.7820906124	 2.4474797999	 2.1616063791	 0.082399
+H	 1.5756472699	-1.1917637826	 1.8655416895	 0.06445
+H	 4.0843185359	-1.0857112085	 1.6782118546	 0.300723
+19
+0 3131	2.2455745	1.3046785	1.2084789	2.6998	77.36	-0.2571	-0.03785	0.21925	1179.2225	0.154323	-422.536104	-422.52686	-422.525916	-422.570024	33.761
+C	-1.4708456527	-0.8566596386	 2.3323163056	-0.414759
+C	 0.0246778089	-0.591931186	 2.2232264169	-0.018691
+C	 0.5149415455	 0.670262558	 2.955458163	-0.042558
+O	 1.8883046124	 0.8582682784	 2.6707342875	-0.278219
+C	 0.9501886435	 1.2912634958	 1.6688373284	 0.312086
+C	 0.9461502999	 2.7191296145	 1.3095313284	 0.062647
+O	 0.5100017534	 3.1457402817	 0.2673124239	-0.263947
+C	 0.4914075559	 0.0656758828	 0.8660366801	-0.071366
+C	 1.5386090529	-0.6487939234	 0.0249884214	-0.420626
+H	-1.7456640826	-1.1767883002	 3.3432053811	 0.120336
+H	-2.053095108	 0.0409095709	 2.0953469979	 0.123059
+H	-1.7766228292	-1.6445063718	 1.6366796041	 0.127188
+H	 0.6019896465	-1.478334199	 2.5046288518	 0.088042
+H	 0.118796758	 1.1417516237	 3.8497327458	 0.114896
+H	 1.370984169	 3.379466058	 2.0967543149	 0.086247
+H	-0.3823927536	 0.3344702705	 0.2651511242	 0.098235
+H	 2.4344423849	-0.8535689092	 0.6180776032	 0.131174
+H	 1.1522960075	-1.6021913662	-0.3503744803	 0.116535
+H	 1.8288708579	-0.04142106	-0.838257938	 0.129721
+19
+0 3132	2.0756294	1.862279	1.2149228	2.499	74.89	-0.23874	-0.01645	0.22229000000000002	1073.9454	0.157148	-422.582474	-422.573887	-422.572943	-422.615464	32.747
+C	-0.5256752592	 2.3317772332	 1.1103315232	-0.396454
+C	-0.9024792631	 1.2180475655	 0.1383608946	-0.161017
+C	-2.3674773919	 0.7061527173	 0.2093630744	 0.108143
+O	-2.912151533	 0.7518701893	 1.5200284309	-0.422696
+C	-2.307035316	-0.7374099615	-0.2915891123	-0.066162
+C	-1.5348198811	-1.0327735459	-1.5321839124	-0.304425
+C	-0.8634138721	-1.2249589884	-0.1770964937	-0.143491
+C	-0.0590447039	-0.0629311557	 0.3111591391	 0.406709
+O	 1.0343131705	-0.1183313021	 0.8195134301	-0.337799
+H	-0.8031391551	 2.0712535005	 2.1338699175	 0.121327
+H	 0.554110398	 2.4951556719	 1.0809886105	 0.134399
+H	-1.0340084612	 3.2656638668	 0.8549342258	 0.114228
+H	-0.7167766218	 1.5710038725	-0.8859182379	 0.105138
+H	-3.0423068148	 1.3240565272	-0.3910512354	 0.093109
+H	-2.4085803353	 0.1465536954	 2.0769292936	 0.282979
+H	-3.1359680239	-1.3808344001	-0.0190187799	 0.103765
+H	-1.7814566143	-1.9459480722	-2.0620746007	 0.128651
+H	-1.2016357496	-0.2254297956	-2.1750308383	 0.125909
+H	-0.5802763723	-2.2212528682	 0.137146791	 0.107687
+19
+0 3133	2.0862715	1.8193624	1.1084895	2.8683	75.36	-0.24628	-0.02429	0.22199	1120.5801	0.156896	-422.578685	-422.570158	-422.569214	-422.6118	32.592
+C	-3.2833399358	-1.2968591838	 1.0247812364	-0.422658
+C	-2.311149797	-0.8153601038	-0.0520772905	-0.0141
+C	-2.153567846	 0.7181158542	-0.0922981374	-0.047509
+C	-1.6803928484	 1.2911868103	-1.3902248163	-0.288437
+C	-0.6806809831	 1.0694235191	-0.2644394881	-0.151583
+C	 0.0616780215	-0.2259619876	-0.3341315799	 0.346408
+O	 1.1988478352	-0.433235663	-0.6881188824	-0.344641
+C	-0.8720117476	-1.3362184487	 0.1485843333	 0.066185
+O	-0.5995198261	-2.5757618811	-0.4416915062	-0.442959
+H	-3.32674483	-2.3898558232	 1.0448139985	 0.133574
+H	-2.9719006212	-0.9529373988	 2.0179177557	 0.116154
+H	-4.2950295223	-0.9207137074	 0.8413109829	 0.115813
+H	-2.6575589243	-1.1779380663	-1.0269171666	 0.092669
+H	-2.7881693713	 1.318037558	 0.550082673	 0.093284
+H	-1.6430428667	 0.6464195007	-2.2630914708	 0.128655
+H	-1.9026821596	 2.3289313268	-1.6127512683	 0.125681
+H	-0.1983050936	 1.936231591	 0.1704498625	 0.113291
+H	-0.6919740437	-1.3699180716	 1.2435784896	 0.088796
+H	 0.32946943	-2.5343100348	-0.7139672652	 0.291377
+19
+0 3134	2.0315842	1.654881	1.3817522	3.0484	74.57	-0.23902	-0.03044	0.20858000000000002	1071.2765	0.156351	-422.572563	-422.563886	-422.562941	-422.6058	32.487
+C	-3.1797101739	-1.1077377811	 1.0791001562	-0.412622
+C	-2.3693233574	-0.826023348	-0.1917362052	-0.035166
+C	-2.1982380301	 0.6742502634	-0.4035082292	 0.055983
+O	-1.3264337294	 0.9979674256	-1.4803651111	-0.252807
+C	-0.8095188426	 1.0910706446	-0.1343488454	-0.090923
+C	-0.0328611521	-0.1514026492	 0.2174266671	 0.415753
+O	 1.065800083	-0.182423495	 0.7104918829	-0.327544
+C	-0.9131617203	-1.3720411843	-0.1130827282	-0.105686
+C	-0.4201757703	-2.0762046997	-1.3879504584	-0.413762
+H	-3.2970489965	-2.1842701899	 1.2342075848	 0.125931
+H	-2.6839996239	-0.6953227192	 1.9654389992	 0.123353
+H	-4.1803101449	-0.6664806928	 1.0201106901	 0.119082
+H	-2.8927977575	-1.2542840483	-1.0543216223	 0.088458
+H	-3.034077724	 1.3549622736	-0.2551797743	 0.103326
+H	-0.4987218409	 2.07497082	 0.201173662	 0.114419
+H	-0.8145310534	-2.0668265313	 0.7275947739	 0.101409
+H	 0.6283240797	-2.3684195376	-1.2802985559	 0.133624
+H	-1.0089213243	-2.9791795069	-1.5788676335	 0.115406
+H	-0.510159401	-1.415280784	-2.2533859029	 0.141766
+19
+0 3135	2.1499095	1.8362553	1.1212023	2.2374	77.25	-0.23326	0.00178	0.23504	1119.4726	0.155808	-422.556124	-422.547094	-422.54615	-422.589544	33.673
+C	 0.4694273226	-2.6157221941	 0.1110851117	-0.506932
+C	-0.3439611899	-1.3612603933	 0.0461167611	 0.214969
+C	 0.0519934554	-0.0999794469	-0.1882359986	 0.157711
+C	 1.4151046836	 0.4200475779	-0.5115260738	-0.492944
+C	-1.1315131931	 0.8734413878	-0.2044572172	 0.037167
+O	-1.2543710861	 1.5610809515	-1.4413621212	-0.433105
+C	-2.3332891811	-0.0268298339	 0.0828591287	-0.007398
+O	-2.5556609266	-0.9595423499	-0.9852905119	-0.273717
+C	-1.836760645	-1.395054381	 0.2056041927	-0.049862
+H	 0.3300638465	-3.1270978463	 1.0720641517	 0.127692
+H	 0.1614382054	-3.3248666198	-0.6677260666	 0.135814
+H	 1.5375941965	-2.4225279675	-0.0100150065	 0.128294
+H	 1.7695151227	 1.1061004814	 0.2692144136	 0.126322
+H	 2.1558195846	-0.3747216305	-0.6248701601	 0.120628
+H	 1.3783374594	 0.999575034	-1.4406624883	 0.144279
+H	-1.0229593047	 1.6536480132	 0.5590218426	 0.086159
+H	-1.5437679968	 0.890294653	-2.0748663652	 0.28853
+H	-3.2254091035	 0.3536039237	 0.5713416198	 0.099704
+H	-2.3394251398	-2.1712130392	 0.7755364076	 0.096689
+19
+0 3136	1.9933663	1.7875847	1.3660291	1.7113	74.62	-0.23485	-0.02849	0.20636	1092.8932	0.156897	-422.578039	-422.569389	-422.568445	-422.611355	32.746
+C	-0.4707687712	 1.8369379649	-1.3814064116	-0.408856
+C	-0.7677160652	 1.2430968196	 0.0089490516	-0.092051
+C	-2.2093863416	 0.7888910974	 0.164116063	-0.031036
+C	-2.555950016	 0.0325609963	 1.4201876504	-0.3265
+C	-2.2647891487	-0.7317011909	 0.1534209048	-0.038829
+C	-0.8681371307	-1.2763012418	 0.0107931044	 0.037591
+O	-0.6934111988	-1.7476991844	-1.3251198719	-0.439712
+C	 0.0516251821	-0.0430679133	 0.1942308761	 0.343862
+O	 1.2436248691	-0.1103669812	 0.3581072792	-0.332426
+H	-0.7324794387	 1.1220470695	-2.167092636	 0.136502
+H	-1.0489261227	 2.7524852622	-1.5390768587	 0.117935
+H	 0.5918269417	 2.0771962543	-1.472177091	 0.133107
+H	-0.4647167141	 1.9631844134	 0.7778059883	 0.098691
+H	-2.9855732126	 1.3678378858	-0.3235046205	 0.088137
+H	-1.8293213305	 0.005555175	 2.2290344112	 0.115676
+H	-3.5853716283	 0.0552742497	 1.7592523292	 0.119486
+H	-3.0644869974	-1.2684599889	-0.3421056634	 0.099746
+H	-0.6193885887	-2.0591197478	 0.7409580519	 0.084694
+H	 0.2340885525	-1.9956160597	-1.418092517	 0.293983
+19
+0 3137	1.9086838	1.8969786	1.2293947	2.5162	74.21	-0.24444	-0.02266	0.22177999999999998	1094.562	0.156102	-422.577002	-422.568205	-422.567261	-422.610758	32.58
+C	-0.5895755365	 2.1329582122	 1.274477713	-0.410512
+C	-0.7928940024	 1.2825601433	 0.0122934967	-0.128769
+C	-2.1828449811	 0.7013001503	-0.1345600494	 0.031295
+O	-2.3580377264	-0.0330132374	-1.3512407352	-0.266509
+C	-2.1331628592	-0.7740239306	-0.1468509182	 0.031295
+C	-0.7071766651	-1.2628260888	-0.0089061233	-0.12877
+C	-0.4464069345	-2.1185003612	 1.2390707948	-0.410512
+C	 0.1247994556	 0.0391068276	 0.0282030529	 0.392679
+O	 1.323753368	 0.0786992487	 0.1222646249	-0.321309
+H	-0.8929826181	 1.5901248289	 2.1761781618	 0.120062
+H	 0.4658522099	 2.3955584925	 1.3770280917	 0.146291
+H	-1.1760671219	 3.0549902068	 1.2226484283	 0.122234
+H	-0.5353637872	 1.8785213028	-0.8710910617	 0.1182
+H	-3.0531156586	 1.2563285881	 0.208019892	 0.098768
+H	-2.9639329577	-1.391962393	 0.1859584199	 0.098768
+H	-0.410633197	-1.8253345425	-0.9019377395	 0.1182
+H	-0.9695749096	-3.0769063421	 1.171580911	 0.122234
+H	 0.6243521338	-2.3111781032	 1.3378311257	 0.146291
+H	-0.7851384622	-1.6123821525	 2.1495063444	 0.120063
+19
+0 3138	2.1924611	1.6558319	1.3703677	2.9375	75.36	-0.24619	-0.03927	0.20692	1049.1705	0.155376	-422.538622	-422.529801	-422.528856	-422.571843	33.407
+C	-0.2638939539	-0.3021623227	-0.1679508376	-0.480819
+C	 1.2237650436	-0.0163234187	 0.0130204666	 0.147835
+C	 1.7291038738	-0.6324303419	 1.2977779553	 0.134538
+O	 2.7363756702	-0.3111468299	 1.8886745004	-0.287853
+C	 2.2032444164	-0.4499477391	-1.1195408126	-0.061013
+C	 1.9830874588	 0.3399043827	-2.3797488345	-0.312189
+C	 2.745595464	 0.9658007474	-1.248058392	-0.084184
+C	 1.7443219755	 1.4803431108	-0.1952633288	 0.109478
+O	 2.2524252799	 2.1541585686	 0.9109331054	-0.437219
+H	-0.8576153337	 0.2083744526	 0.5987962322	 0.130272
+H	-0.617569525	 0.0401005848	-1.1433736177	 0.126448
+H	-0.4760363155	-1.3754976372	-0.0972330365	 0.12019
+H	 1.1119595822	-1.476305823	 1.6809091829	 0.088335
+H	 2.738622884	-1.3923824277	-1.1260228325	 0.093534
+H	 2.5751033362	 0.0110246794	-3.2278626351	 0.120356
+H	 0.9974756087	 0.7120098794	-2.6489440922	 0.110133
+H	 3.7692338424	 1.307698479	-1.3358038728	 0.097219
+H	 0.9660113539	 2.1271900706	-0.6167617093	 0.08719
+H	 2.8165091385	 1.529407315	 1.3932760086	 0.297749
+19
+0 3139	2.330287	1.5540652	1.1858283	2.3527	76.07	-0.24733	-0.03808	0.20925	1110.0007	0.155343	-422.541827	-422.533023	-422.532078	-422.574988	33.526
+C	 1.030109207	-0.4123459047	-0.9582866842	-0.396835
+C	 0.8439193889	 0.2576667767	 0.393720596	-0.065523
+C	 1.4324761395	 1.6758489151	 0.5259723542	-0.037321
+C	 1.2459203529	 2.1813234197	 1.9227103827	-0.314748
+C	 2.3681777381	 1.2139766853	 1.6386112119	-0.090288
+C	 1.8778747921	-0.24165222	 1.5048997237	 0.308283
+O	 2.8748646191	-1.0837734784	 1.0045136811	-0.476004
+C	 1.2584192255	-0.8783026734	 2.7261758473	 0.113989
+O	 1.5560508102	-1.9952460606	 3.0843392221	-0.281233
+H	 0.7297973752	-1.46368169	-0.9238092339	 0.118888
+H	 0.4133590313	 0.0924975043	-1.7098403911	 0.110582
+H	 2.0734965907	-0.3755528874	-1.2777245216	 0.137579
+H	-0.2089554503	 0.1965929858	 0.6986028883	 0.065938
+H	 1.6401891166	 2.333898077	-0.3091962395	 0.090121
+H	 1.5730428768	 3.1998518541	 2.1062539117	 0.12079
+H	 0.3716533757	 1.8955818929	 2.5019635771	 0.107625
+H	 3.4081602212	 1.4557373381	 1.8198886892	 0.100592
+H	 2.8114856106	-1.8979114859	 1.5304508486	 0.292182
+H	 0.5058617189	-0.2810646086	 3.2757073663	 0.095383
+19
+0 3140	2.2393811	1.4629769	1.3867507	0.879	75.12	-0.25511	-0.03244	0.22267	1076.9334	0.1543	-422.531436	-422.522291	-422.521346	-422.565139	33.726
+C	-0.2508567068	 0.1469715181	 0.0778003273	-0.418346
+C	 1.2633359634	 0.0140766298	 0.1420808378	-0.066062
+C	 1.9680936812	-0.6656516574	-1.0394629311	 0.028103
+O	 1.5528389676	-2.0449744325	-1.0691670994	-0.250037
+C	 2.5974883085	-1.668821061	-0.1764099064	-0.011855
+C	 1.9182206487	-1.069683633	 1.0957117885	 0.169079
+C	 1.0210009882	-2.0383555024	 1.8614644474	-0.473687
+C	 2.9798033853	-0.4817348351	 2.004908581	 0.106714
+O	 3.3828423995	 0.6533830095	 1.9799435618	-0.247396
+H	-0.6649483116	 0.4546359014	 1.0434135592	 0.118978
+H	-0.5343252379	 0.9075440061	-0.6577412961	 0.119079
+H	-0.7210489127	-0.7955235951	-0.2145768715	 0.131021
+H	 1.737829308	 0.9751804661	 0.3584673127	 0.110491
+H	 2.303357787	-0.2376044356	-1.9769920265	 0.107333
+H	 3.5417445418	-2.1966636949	-0.2532238051	 0.108845
+H	 0.3559060887	-1.508452636	 2.5510600454	 0.125988
+H	 0.4086594275	-2.6129208733	 1.163841757	 0.146663
+H	 1.6189590359	-2.7436418309	 2.4503759728	 0.117193
+H	 3.4080196174	-1.2182267436	 2.7245140052	 0.077894
+19
+0 3141	2.8009935	1.5283109	1.2973908	3.2175	74.72	-0.23554	0.06851	0.30405	1056.0214	0.156217	-422.497791	-422.489503	-422.488559	-422.530803	31.108
+C	-0.2155750074	-0.0262787584	 0.0100103048	-0.397247
+C	 1.3037203758	-0.0036840179	 0.0683106956	-0.117739
+C	 1.9748573839	-0.5362722658	 1.3466421849	 0.023064
+O	 1.4953660331	 0.2636881845	 2.4292556136	-0.240102
+C	 2.5845367646	 0.7724292097	 1.6498911632	-0.056285
+C	 2.0016850771	 1.3798249283	 0.3734588883	 0.447781
+C	 2.9311624056	 2.0391262201	-0.6654050091	-0.366986
+C	 2.0022560982	 3.2583889446	-0.5025468872	-0.071247
+O	 1.1961166332	 2.562631193	 0.4722157671	-0.306373
+H	-0.6345813632	 0.3694679862	 0.9374088805	 0.144684
+H	-0.5811125329	 0.5915689882	-0.8157259374	 0.116571
+H	-0.5875163876	-1.0458403525	-0.1371836488	 0.108335
+H	 1.7473687749	-0.4479370673	-0.8299691314	 0.0719
+H	 2.3263631053	-1.5348733608	 1.5785615447	 0.10319
+H	 3.4948142909	 1.0346565946	 2.1790987479	 0.100488
+H	 3.961805512	 2.1883314747	-0.3359796999	 0.113059
+H	 2.9344465533	 1.5718608939	-1.6518439486	 0.114178
+H	 2.464817948	 4.1582277137	-0.0811856628	 0.106969
+H	 1.4207024952	 3.5384479312	-1.3886230552	 0.10576
+19
+0 3142	2.7795357	1.4523574	1.2376626	2.2086	74.17	-0.246	0.0724	0.3184	1078.7327	0.156206	-422.491777	-422.483488	-422.482544	-422.524907	30.984
+C	-0.2191796249	-0.1935212682	-0.0251295373	-0.413231
+C	 1.2940087487	-0.0655418567	 0.0623922742	-0.104243
+C	 1.9726421433	-0.5337308996	 1.3630505006	 0.024649
+O	 1.5141226617	 0.3260812945	 2.4148585295	-0.249734
+C	 2.5847252456	 0.7850252634	 1.5765039849	-0.060518
+C	 1.9360223543	 1.3519487805	 0.3127639494	 0.280715
+C	 2.7945810836	 2.045904409	-0.7612096351	-0.144185
+O	 2.0918485924	 3.2898092086	-0.5823962692	-0.275581
+C	 1.1708136029	 2.6852211545	 0.3535836105	-0.130319
+H	-0.6893263045	 0.2186594334	 0.8720297949	 0.135311
+H	-0.6149906939	 0.3378963234	-0.8969164506	 0.119762
+H	-0.5170966236	-1.2438258847	-0.1142268501	 0.117061
+H	 1.7794009898	-0.5258826024	-0.806270981	 0.078007
+H	 2.307103548	-1.5250943018	 1.6468129355	 0.104638
+H	 3.5097545016	 1.0778063643	 2.0614804954	 0.107476
+H	 3.8667733841	 2.1393935229	-0.5428176913	 0.101431
+H	 2.6740993704	 1.6451665498	-1.7774732932	 0.0972
+H	 1.1591137482	 3.2002955002	 1.3212642497	 0.110022
+H	 0.1485307221	 2.6517611991	-0.0448228469	 0.101538
+19
+0 3143	2.8114701	1.570821	1.3381141	2.5849	74.55	-0.25236	0.06338	0.31573999999999997	1029.7404	0.15758	-422.513245	-422.50529	-422.504346	-422.545817	30.822
+O	 0.554297939	-0.1103499622	 0.4203519128	-0.448864
+C	-0.678934756	 0.5452836698	 0.3010901509	 0.06091
+C	-1.9733682825	-0.2778653759	 0.3737729579	-0.066089
+C	-2.0784831064	-0.9492529103	 1.7058547567	-0.293461
+C	-2.4119341119	 0.517710074	 1.6212534687	-0.12049
+C	-1.1339511619	 1.3283120478	 1.5790244539	 0.415619
+C	-1.0813639611	 2.863743832	 1.6367583732	-0.37409
+C	-0.0006235719	 2.6525719162	 2.713595734	-0.072934
+O	-0.2053687	 1.2183942692	 2.6911177947	-0.326719
+H	 0.8323482806	 0.0326357188	 1.3377598118	 0.290538
+H	-0.6646410303	 1.192780657	-0.5844265397	 0.073252
+H	-2.5740943727	-0.5744439398	-0.4767467383	 0.086945
+H	-2.9337539833	-1.6040253102	 1.835027692	 0.114159
+H	-1.1835375407	-1.2761454971	 2.2258141564	 0.123506
+H	-3.3895040347	 0.9047073298	 1.8834958529	 0.083597
+H	-0.7665232651	 3.3627357371	 0.7185677387	 0.116419
+H	-1.9988735353	 3.3275354658	 2.0047103584	 0.115053
+H	 1.0187912873	 2.921324735	 2.4145893094	 0.110642
+H	-0.2078903231	 3.0703407829	 3.7039323454	 0.112007
+19
+0 3144	2.6089066	1.5761535	1.184992	3.2305	74.66	-0.23816	0.06688	0.30504	1078.3795	0.15687	-422.498648	-422.49038	-422.489436	-422.531774	31.265
+O	 0.3180429553	 0.1605252998	 0.3263706908	-0.431815
+C	-0.9015743711	 0.4299475617	 0.9822756726	 0.045257
+C	-2.1112969464	-0.3697637598	 0.4676541435	-0.087059
+C	-3.3666970169	 0.1803178961	 1.0810377313	-0.300298
+C	-2.7389591908	 0.9114431493	-0.0755665792	-0.120777
+C	-1.545030266	 1.7320383722	 0.4098103503	 0.286358
+C	-1.6921872031	 3.0459584544	 1.2009740221	-0.137395
+O	-0.9477356708	 3.7826050507	 0.2123638422	-0.27793
+C	-0.7380434627	 2.5936822375	-0.5810073237	-0.138417
+H	 0.6231650013	-0.7069593288	 0.6106292644	 0.286609
+H	-0.7704692973	 0.4166662484	 2.076003706	 0.062239
+H	-2.0570042085	-1.3555105196	 0.0210168889	 0.088171
+H	-4.2774261284	-0.3629924833	 0.8507511094	 0.116553
+H	-3.3498927744	 0.6095371471	 2.0812755163	 0.108049
+H	-3.2690297331	 1.0793630415	-1.0061270048	 0.089035
+H	-2.7206101422	 3.4156463777	 1.3088803647	 0.097102
+H	-1.2012189736	 3.0643255682	 2.1836876639	 0.09567
+H	-1.1778992304	 2.6854261851	-1.5826780771	 0.094678
+H	 0.3203201293	 2.3334780917	-0.6695630816	 0.123971
+19
+0 3145	2.52518	1.6046494	1.1946564	2.179	74.51	-0.24766	0.0588	0.30646	1079.1889	0.156583	-422.501123	-422.492936	-422.491992	-422.533809	31.557
+O	 0.3670266237	-0.1798023827	 0.6952156023	-0.42402
+C	-0.9506972177	 0.2757312031	 0.8802044603	 0.023926
+C	-1.4258871622	 0.4303617003	 2.3412135323	-0.033556
+O	-2.7501762517	 0.9716161144	 2.2723690025	-0.244438
+C	-1.6429747429	 1.8755309956	 2.1608751702	-0.049096
+C	-1.1726331915	 1.8257912206	 0.6997537799	 0.308601
+C	 0.0215473273	 2.7373819207	 0.3061893566	-0.304904
+C	-0.9778141631	 3.6472746886	-0.4616223467	-0.212699
+C	-2.0221439075	 2.4985681575	-0.4028241354	-0.286874
+H	 0.9590129925	 0.3837869234	 1.2063003977	 0.28437
+H	-1.5900166367	-0.365733261	 0.2683180503	 0.100109
+H	-1.1596817937	-0.1560108702	 3.2142879439	 0.105797
+H	-1.5994010665	 2.6963493224	 2.8697426038	 0.101802
+H	 0.5996185245	 3.1928194086	 1.116576708	 0.093759
+H	 0.7095996485	 2.2153471515	-0.3648746317	 0.115228
+H	-1.2838938674	 4.5123992224	 0.1325190963	 0.104461
+H	-0.6696646013	 3.9988661975	-1.4485421314	 0.101667
+H	-3.052804232	 2.7505305795	-0.1432543727	 0.109389
+H	-2.0299754125	 1.9026958178	-1.3207510061	 0.106476
+19
+0 3146	2.7213636	1.3706976	1.1093486	2.9505	76.08	-0.2445	-0.02714	0.21736	1160.9591	0.155891	-422.545999	-422.537212	-422.536268	-422.580013	32.854
+C	 4.1986539123	 0.910592041	-1.3889435019	-0.488033
+C	 3.2453876547	 1.7752212317	-0.5944284528	 0.410202
+O	 3.4738510897	 2.9553438624	-0.39591281	-0.344684
+C	 1.9955551426	 1.1158505964	-0.0578568859	-0.181957
+C	 0.6985944532	 1.8464111819	-0.4716781222	-0.023097
+C	-0.4799683938	 1.2391057392	 0.2325339798	-0.309083
+C	 0.3889500447	 2.2170857212	 0.9725911774	-0.076692
+C	 1.6685578608	 1.5198255755	 1.4590168161	 0.137597
+O	 2.6028282752	 2.3281017468	 2.1008298516	-0.430133
+H	 4.5606824912	 0.0884325543	-0.7600615918	 0.148482
+H	 3.6790469716	 0.4507184635	-2.2374328811	 0.142646
+H	 5.0420434773	 1.503913547	-1.7437217951	 0.14292
+H	 2.005115139	 0.0419373519	-0.2698038238	 0.069529
+H	 0.5976539112	 2.4432043133	-1.3698624277	 0.094947
+H	-1.4497045342	 1.6166629213	-0.0754355313	 0.118423
+H	-0.4789483219	 0.1846271978	 0.502141955	 0.106864
+H	 0.0119746838	 3.144837665	 1.3852334452	 0.09539
+H	 1.5048079387	 0.6546509611	 2.1108880155	 0.089126
+H	 2.8877928538	 3.0000196886	 1.460540223	 0.297552
+19
+0 3147	2.3959598	1.3534415	1.1099871	3.0475	75.56	-0.23592	-0.01283	0.22308999999999998	1182.228	0.154658	-422.53622	-422.527076	-422.526132	-422.570524	33.411
+C	-1.0095071742	-0.7088849514	 3.5339395863	-0.414753
+C	-0.4533516669	-0.8468126864	 2.1226118226	-0.044991
+C	 0.4357481969	-2.0812880672	 1.8829291136	 0.02718
+O	 0.9528730626	-1.991518263	 0.5505849437	-0.237818
+C	 1.609322235	-1.2491450785	 1.5820267837	 0.00171
+C	 0.8145093715	 0.055660156	 1.8389287361	-0.125666
+C	 0.8512701746	 1.1195779099	 0.7503977763	 0.37867
+C	 0.1021606134	 0.8517675565	-0.5390083264	-0.494176
+O	 1.4844966241	 2.1378415252	 0.925243821	-0.311202
+H	-1.7892928657	-1.4545176879	 3.7228702684	 0.121786
+H	-0.2249830911	-0.8471218323	 4.2861614864	 0.121746
+H	-1.447605181	 0.2823979106	 3.6865820178	 0.129827
+H	-1.2520987561	-0.7593416192	 1.3810015964	 0.087979
+H	 0.3598535101	-3.0711086134	 2.3189891461	 0.109983
+H	 2.6710415762	-1.4190050367	 1.7163309443	 0.116965
+H	 1.1630450028	 0.5255594369	 2.7621831151	 0.099336
+H	-0.9763076806	 0.9503158971	-0.3637333776	 0.137271
+H	 0.4030844138	 1.5799866628	-1.2933109145	 0.135036
+H	 0.2739630644	-0.172571969	-0.8799921693	 0.161118
+19
+0 3148	2.6892579	1.2881621	0.9837286	2.0628	75.27	-0.25118	0.0788	0.32998	1232.3208	0.155864	-422.491907	-422.48341	-422.482465	-422.525492	31.548
+C	 5.2312991232	 0.5755409	-1.5365968776	-0.417365
+C	 3.7503171088	 0.5870603829	-1.1838194863	-0.02504
+C	 3.3995808347	 1.1868041088	 0.1896288046	 0.026364
+O	 1.9947475029	 0.9953928368	 0.3933171265	-0.249751
+C	 2.8775208774	-0.0970909731	 0.6816246647	-0.000748
+C	 3.1928177351	-0.7962375708	-0.6546312772	-0.060283
+C	 2.0377573317	-1.4242928721	-1.3792257251	 0.084885
+C	 1.8552972512	-2.8801434991	-1.4539783361	-0.189461
+O	 2.3587929135	-2.1508666418	-2.5731753915	-0.241505
+H	 5.8350170702	 0.1756200668	-0.7137356583	 0.114405
+H	 5.4128923528	-0.0462292041	-2.4186386695	 0.134064
+H	 5.5931904395	 1.5861890704	-1.7547558969	 0.118152
+H	 3.1593561413	 1.0219849984	-1.9955983691	 0.088816
+H	 3.8702745614	 2.0082158212	 0.7185068597	 0.103446
+H	 2.8330254135	-0.516065424	 1.6805658925	 0.103537
+H	 4.0107813096	-1.5162438425	-0.5524654294	 0.078964
+H	 1.1540947609	-0.7930263765	-1.4665108603	 0.106967
+H	 2.5723114663	-3.5380976151	-0.9633663763	 0.108702
+H	 0.8557408561	-3.2954648163	-1.5757344544	 0.115852
+19
+0 3149	2.6741743	1.4425336	1.111605	1.313	74.29	-0.25259	0.06196	0.31455	1125.7711	0.156758	-422.49719	-422.488862	-422.487918	-422.530301	31.613
+O	 2.5500900506	 1.2363419113	-1.8349865254	-0.427925
+C	 3.6225154436	 0.725527819	-1.0783023322	 0.124782
+C	 3.4438124704	 0.7558408647	 0.446328818	-0.096646
+C	 4.6240598702	 0.0974033367	 1.1059925023	-0.300959
+C	 3.5540141493	-0.7714469512	 0.5138605543	-0.044268
+C	 3.7365787655	-0.8521176118	-1.0082208652	-0.087768
+C	 2.6553260421	-1.574877537	-1.7706985465	 0.07924
+C	 1.2956042414	-1.814697985	-1.2561664744	-0.200266
+O	 2.2674209623	-2.8595974859	-1.2741256623	-0.239809
+H	 1.7360723478	 0.8393271501	-1.5066074562	 0.28265
+H	 4.5115848018	 1.2396519327	-1.4567443395	 0.089321
+H	 2.7881801757	 1.4396330013	 0.9737047796	 0.087162
+H	 5.6087177306	 0.1487763926	 0.6450531452	 0.108692
+H	 4.6397482779	 0.1493192928	 2.1898824059	 0.116092
+H	 3.0021242053	-1.4874054774	 1.1100947491	 0.097966
+H	 4.7057555727	-1.2571893606	-1.3257271542	 0.075793
+H	 2.7673017507	-1.5405976402	-2.8547930258	 0.103384
+H	 1.0131668508	-1.4606134636	-0.265742993	 0.114223
+H	 0.4706218313	-1.9316639683	-1.9579584598	 0.118337
+19
+0 3150	3.1439864	1.1613241	0.949428	1.9982	75.07	-0.242	0.07653	0.31853	1262.0361	0.156675	-422.500745	-422.492432	-422.491488	-422.534062	31.667
+O	-0.5278214436	 0.8631192938	-2.5850140041	-0.436953
+C	 0.1345104041	-0.0393235448	-1.7466668331	 0.114035
+C	-0.097936777	 0.1338205172	-0.2353983375	-0.026227
+O	 0.4027969418	 1.4479551958	 0.0685152768	-0.266812
+C	 1.3368322988	 0.3574412568	 0.0014058276	 0.018696
+C	 1.6897288765	 0.1599100224	-1.4811829096	-0.080474
+C	 2.5426950714	-1.0399304334	-1.7945160319	 0.018058
+C	 3.2000711699	-1.1712861443	-3.1460504749	-0.27043
+C	 4.041220597	-0.9040032529	-1.9226364032	-0.278353
+H	-0.44107113	 1.7277865517	-2.1630210386	 0.288537
+H	-0.080838524	-1.0472054277	-2.1112671908	 0.093338
+H	-0.8827289896	-0.2533585934	 0.4046706238	 0.104798
+H	 1.9362760659	 0.1636155188	 0.8833300181	 0.108192
+H	 2.0965598227	 1.0613733446	-1.9515672279	 0.075236
+H	 2.1912703392	-1.9678342151	-1.3478950253	 0.079296
+H	 3.2497790258	-2.1539299783	-3.6013399581	 0.113093
+H	 3.0608698006	-0.3607841844	-3.8536265519	 0.119426
+H	 4.6664495258	-1.7037735865	-1.5413680055	 0.112622
+H	 4.4697995547	 0.0864852396	-1.8093416839	 0.113921
+19
+0 3151	2.7501892	1.2463438	1.0093263	2.1221	76.11	-0.26626	0.01135	0.27761	1231.1207	0.156386	-422.558056	-422.549334	-422.54839	-422.592097	31.961
+C	-1.4108715621	 3.9587371151	 1.8908443665	-0.419521
+C	-1.8604065207	 2.5148691703	 1.7104489795	-0.017233
+C	-3.1918550747	 2.312812758	 0.9624670297	-0.054911
+C	-3.4593419168	 0.8500258689	 0.7882613725	-0.294009
+C	-2.4815240559	 1.5161610155	-0.1430408114	-0.060784
+C	-1.1516744156	 1.7579019787	 0.5510709703	 0.124128
+O	-0.4057966172	 0.6023694601	 0.9938550604	-0.21824
+C	 0.2501204925	-0.0659482881	 0.0379851699	 0.178506
+O	 0.2704334204	 0.2086629475	-1.1312837245	-0.30889
+H	-2.046741604	 4.4794988883	 2.6143591488	 0.119117
+H	-0.3788630025	 4.0064578516	 2.2540737348	 0.121547
+H	-1.4623567729	 4.5101205339	 0.9453446677	 0.119119
+H	-1.8089940615	 1.9780017542	 2.6641726585	 0.080329
+H	-3.9602641028	 3.0683405427	 0.8539420698	 0.090002
+H	-3.1131441917	 0.1365458653	 1.5317321958	 0.116141
+H	-4.4096590149	 0.5931320513	 0.3320314047	 0.115848
+H	-2.6269465946	 1.53297644	-1.2148405236	 0.0994
+H	-0.4842513248	 2.3977144315	-0.0297307837	 0.102591
+H	 0.7783870098	-0.917336495	 0.4960563542	 0.106859
+19
+0 3152	2.9438292	1.0217326	0.8336884	3.1806	76.15	-0.2469	-0.0211	0.2258	1388.0248	0.154802	-422.527079	-422.517999	-422.517055	-422.561828	32.627
+C	-1.6171772324	 4.2589827407	-1.8256547335	-0.415586
+C	-1.9719365043	 2.7801615312	-1.7451361174	-0.031231
+C	-3.2595342367	 2.4588671118	-0.966733727	 0.029199
+O	-3.3677211492	 1.0336215246	-0.8774609928	-0.247551
+C	-2.5218258261	 1.7096226786	 0.0606897151	 0.011541
+C	-1.1756190177	 1.969343198	-0.6460742594	-0.046575
+C	-0.3720423986	 0.7481410169	-1.1064057526	-0.296139
+C	 0.2578566336	 0.0101198695	 0.0513098782	 0.155205
+O	 1.4359544097	-0.2096506361	 0.172609781	-0.239527
+H	-1.6785089134	 4.737579149	-0.8417144626	 0.118705
+H	-0.5987190069	 4.3980794781	-2.2022507324	 0.126582
+H	-2.2986813138	 4.7911930592	-2.4979458697	 0.12179
+H	-1.9514909252	 2.3181461657	-2.7372941342	 0.085022
+H	-4.1779489644	 3.0322925379	-0.90259454	 0.106407
+H	-2.7295217855	 1.5554539451	 1.1134593947	 0.10686
+H	-0.5490019819	 2.6518955354	-0.0623655914	 0.08799
+H	-1.0634876253	 0.0638912205	-1.6158207674	 0.135435
+H	 0.4175929038	 1.0348991799	-1.8072348785	 0.118384
+H	-0.4663518558	-0.3301510361	 0.8288988798	 0.073489
+19
+0 3153	2.6886818	1.1371072	0.8888066	1.6961	76.39	-0.24917	-0.02264	0.22653	1311.8647	0.155555	-422.533395	-422.524407	-422.523463	-422.568152	32.764
+O	-1.8326457992	 2.4746716987	-2.9785579177	-0.423151
+C	-1.8830839095	 2.9370824016	-1.6507049574	 0.12093
+C	-3.1642167886	 2.6085948491	-0.8719089559	-0.093775
+C	-3.0390954473	 3.0871945068	 0.5494070116	-0.294171
+C	-2.3661019175	 1.8048020741	 0.1594990231	-0.045877
+C	-1.0548003108	 2.1081966523	-0.5876194069	-0.057503
+C	-0.3440660124	 0.8779989254	-1.163180413	-0.28963
+C	 0.3907323725	 0.1405905287	-0.0675879199	 0.152661
+O	 0.1089186397	-0.9602562929	 0.331541696	-0.240849
+H	-2.2198963838	 1.5930440689	-3.0096179661	 0.283623
+H	-1.6233982102	 3.9993946979	-1.7071417277	 0.089005
+H	-4.1255913997	 2.4048780046	-1.3302259114	 0.090094
+H	-2.4462596734	 3.9704709629	 0.7790964515	 0.10913
+H	-3.935109823	 2.9862864328	 1.1531515765	 0.118712
+H	-2.6056648236	 0.8582071305	 0.6297368994	 0.102809
+H	-0.3355960936	 2.7060539702	-0.0120265032	 0.071349
+H	-1.0483587887	 0.1807730317	-1.6267750237	 0.104277
+H	 0.3792495799	 1.2032565401	-1.9216141373	 0.127983
+H	 1.2338389192	 0.7142713867	 0.3846593222	 0.074384
+19
+0 3154	2.3759258	1.6501713	1.3420002	2.3358	73.78	-0.25215	0.06424	0.31639	1042.7759	0.156936	-422.536509	-422.528357	-422.527412	-422.568688	32.111
+C	-0.0315326572	-0.190873434	 4.372814658	-0.494569
+C	-0.6461217022	 0.6925022971	 3.3141249805	 0.323493
+C	-2.1353622742	 0.7297141552	 3.0704007263	-0.334509
+C	-1.2255706707	 0.1767018391	 2.0010605375	-0.131711
+C	-0.7395669462	 1.0551344655	 0.8437116097	 0.082187
+O	 0.1333711563	 0.3413778278	-0.0230201969	-0.424659
+C	 0.0130900303	 2.2142003388	 1.5031648163	-0.012064
+O	-0.755964287	 3.0130878627	 2.4066269454	-0.253116
+C	 0.0772897214	 1.9820563605	 2.9570099186	-0.025757
+H	-0.0682686604	 0.2836815702	 5.3604188768	 0.12442
+H	-0.5645033942	-1.1437183525	 4.4441629715	 0.121531
+H	 1.0191076346	-0.4162902257	 4.1529054712	 0.113469
+H	-2.7398228106	 0.0054968627	 3.6072731287	 0.106379
+H	-2.5999127142	 1.695185933	 2.9161960027	 0.135799
+H	-1.2795405514	-0.8862455029	 1.7867063408	 0.089336
+H	-1.5539007015	 1.4119260685	 0.2054522529	 0.103983
+H	 0.825619225	-0.0515622089	 0.5209439768	 0.280232
+H	 0.7655772725	 2.7411494654	 0.9201713092	 0.101301
+H	 0.8916304298	 2.3325928873	 3.586382014	 0.094256
+19
+0 3155	2.5846005	1.7709094	1.234777	2.5419	73.77	-0.25028	0.07867	0.32895	1041.9931	0.157318	-422.549101	-422.541101	-422.540156	-422.581091	31.786
+C	-2.8060708227	 1.4578385153	 3.5472048957	-0.483704
+C	-2.0924502926	 1.1895386048	 2.2507590885	 0.428383
+O	-0.8042753354	 1.8315665402	 2.0994163397	-0.315827
+C	-0.8600711759	 0.3935623304	 2.1173971685	-0.083598
+C	-0.7118792992	-0.1604830723	 0.6971507006	 0.113476
+O	 0.4222107554	 0.3857667804	 0.0515710221	-0.439514
+C	-2.0256912576	 0.2392178108	 0.0173158531	-0.071789
+C	-3.3103758091	-0.2953228707	 0.5971339686	-0.30374
+C	-2.8482563438	 1.0970400129	 0.9542389967	-0.116337
+H	-3.5954280537	 0.7174640251	 3.7116005747	 0.127639
+H	-2.1093764355	 1.4271479383	 4.3882659831	 0.130907
+H	-3.2746737919	 2.4477500321	 3.5285487189	 0.129785
+H	-0.3610381124	-0.0780114677	 2.9603057992	 0.094955
+H	-0.5648624597	-1.2459753385	 0.7015549561	 0.085862
+H	 0.4048740135	 1.3298016663	 0.2595310955	 0.288946
+H	-1.9765391876	 0.4499075639	-1.0443387429	 0.096173
+H	-4.1598484103	-0.387045714	-0.0704985376	 0.117257
+H	-3.2577684146	-1.0698520578	 1.3575671053	 0.110005
+H	-3.4115386969	 1.9566749506	 0.6072189042	 0.091123
+19
+0 3156	2.4848152	1.6480626	1.3110907	3.2887	73.91	-0.25591	0.06712	0.32303000000000004	1060.5539	0.15586	-422.531262	-422.522968	-422.522024	-422.563688	31.978
+C	 1.2983909067	 1.1288417083	 0.0374441338	-0.409016
+C	 1.0227363293	-0.3794531719	 0.0724907433	-0.063792
+C	 1.5910578938	-1.0711680423	-1.1719160904	 0.037636
+O	 1.3651985146	-2.4765924154	-1.2622828468	-0.240941
+C	 2.6333284453	-2.0355337235	-0.7777571141	-0.046172
+C	 2.7511549347	-2.020760582	 0.7445355972	 0.401529
+C	 4.0536511781	-2.373557747	 1.4049862297	-0.50182
+O	 1.5465612669	-2.4530812923	 1.3866544561	-0.283069
+C	 1.756224026	-1.047032709	 1.2391371925	-0.030031
+H	 0.9326300056	 1.6154714823	 0.9466715741	 0.123323
+H	 2.3716381655	 1.3347898834	-0.0437560862	 0.119983
+H	 0.8022612158	 1.5987068091	-0.8171963852	 0.123139
+H	-0.0555423639	-0.5607098135	 0.1472304956	 0.103981
+H	 1.5934731011	-0.5394827303	-2.1224951921	 0.09248
+H	 3.495459965	-2.2897879557	-1.3888874253	 0.093559
+H	 3.9982652692	-2.1955127837	 2.481552727	 0.133183
+H	 4.2960992812	-3.4298557835	 1.2450018889	 0.13478
+H	 4.874152388	-1.774532002	 0.9948596086	 0.122969
+H	 1.8766033671	-0.4979936911	 2.1728978935	 0.08828
+19
+0 3157	2.6253139	1.6267163	1.3174075	1.4056	73.89	-0.24521	0.07756	0.32277	1037.1866	0.157053	-422.541917	-422.533844	-422.5329	-422.573976	31.981
+C	 2.2839741967	 1.5487514441	 0.0414696743	-0.404079
+C	 1.6965320697	 0.1627927877	-0.2444836422	-0.026051
+C	 2.4606803187	-0.5803017727	-1.34517996	 0.049553
+O	 3.8506090851	-0.7852813603	-1.0546288478	-0.267687
+C	 2.9362603348	-1.8850134732	-0.8732096678	-0.079422
+C	 2.5433272203	-2.0516788743	 0.5649272333	 0.417956
+O	 3.4074596691	-2.7225752827	 1.4244061536	-0.470934
+C	 1.078563469	-2.1366082727	 0.8464701683	-0.344127
+C	 1.7829482013	-0.7927401409	 0.949356993	-0.116769
+H	 1.7483022084	 2.0390642626	 0.8602253384	 0.114483
+H	 3.3385574861	 1.4628821591	 0.3181027833	 0.132292
+H	 2.2166784062	 2.1959561237	-0.8391560391	 0.11292
+H	 0.6532250936	 0.2769255116	-0.5694213279	 0.075348
+H	 2.2377820267	-0.3886618595	-2.3922878611	 0.093341
+H	 3.1022681583	-2.7424581961	-1.521082496	 0.099887
+H	 4.2454774544	-2.2444786027	 1.4157349599	 0.28893
+H	 0.384606769	-2.31220596	 0.0293126622	 0.110225
+H	 0.8105742709	-2.6122853496	 1.7832890494	 0.125383
+H	 1.9146951217	-0.3798474941	 1.943333446	 0.08875
+19
+0 3158	2.3083076	1.6599174	1.3151805	2.3509	73.8	-0.24426	0.07766	0.32192	1044.2757	0.15734	-422.535144	-422.527089	-422.526145	-422.567145	32.572
+O	 0.5238918382	 0.5145785485	 0.5876086005	-0.429203
+C	-0.6977636018	-0.1094987262	 0.9666899419	 0.100843
+C	-1.7995918501	 0.1992243347	-0.058855887	-0.0621
+C	-3.1839232642	-0.3790015926	 0.0814509323	-0.318248
+C	-2.8924670103	 0.9943069982	 0.6302914517	-0.110041
+C	-2.501466687	 1.1578369134	 2.0973151812	 0.399094
+O	-2.7090553749	 2.4182475615	 2.6606915331	-0.473522
+C	-2.4510846891	-0.0598650807	 2.9818403091	-0.380782
+C	-1.1880260301	 0.4493997147	 2.3071130361	-0.113768
+H	 0.3611933469	 1.4646506709	 0.5573357776	 0.280096
+H	-0.4590205987	-1.1772617579	 1.0154329312	 0.091323
+H	-1.4439964594	 0.4383632054	-1.0552437777	 0.09234
+H	-3.7754058131	-0.4308374199	-0.8271300112	 0.111743
+H	-3.3639066936	-1.2083418792	 0.7554706542	 0.113902
+H	-3.3553867605	 1.8613480796	 0.1734558872	 0.087411
+H	-3.6318497296	 2.4746254382	 2.9319072091	 0.283174
+H	-2.499925914	 0.1329676304	 4.0488038645	 0.114059
+H	-2.9087513211	-0.9949706211	 2.6810582552	 0.11276
+H	-0.4220450276	 0.862637552	 2.954130611	 0.100921
+19
+0 3159	2.444655	1.8400944	1.3648176	2.0361	73.24	-0.24939	0.06636	0.31575	1000.9964	0.157213	-422.537666	-422.529577	-422.528632	-422.569797	31.872
+C	 1.447720229	 0.7555372734	-3.0956167536	-0.489397
+C	 0.4726292185	 0.2730673224	-2.0476876692	 0.321796
+C	 0.1323236691	-1.1954837001	-1.982443718	-0.336756
+C	-0.932400272	-0.1965429432	-2.3762494979	-0.105339
+C	-1.8355252576	 0.2801794664	-1.2572221471	 0.027928
+O	-1.5123059883	-0.253302272	 0.0415220447	-0.266839
+C	-1.0557964959	 1.0680949043	-0.2962858724	-0.004804
+C	 0.4091198534	 1.086398319	-0.7325958894	 0.03699
+O	 1.296582188	 0.6569363169	 0.2831881444	-0.434728
+H	 1.391393487	 0.1450680829	-4.0024186084	 0.113218
+H	 1.2507278944	 1.7960788291	-3.3797917047	 0.114028
+H	 2.4759593347	 0.7015574561	-2.7198832188	 0.131534
+H	 0.5429224651	-1.8178915793	-2.7710284209	 0.107944
+H	 0.0216307449	-1.6918628232	-1.0264825693	 0.123965
+H	-1.3232190595	-0.1863619875	-3.3874802219	 0.084529
+H	-2.8954919749	 0.4366745469	-1.4351874204	 0.099312
+H	-1.4561459185	 1.8678363572	 0.3220808797	 0.100952
+H	 0.6999043651	 2.1204892876	-0.9522752314	 0.085729
+H	 0.9583059175	-0.1875700669	 0.6036359445	 0.289937
+19
+0 3160	2.5675599	1.8098351	1.3578736	2.0435	73.29	-0.24849	0.07031	0.3188	1003.124	0.157183	-422.542057	-422.533951	-422.533007	-422.574153	31.998
+C	 0.6535394874	 1.2376709947	-3.2525798652	-0.492592
+C	 0.3949368303	 0.1188657997	-2.2856687042	 0.369814
+O	 1.0130438545	-1.1503468043	-2.5982695213	-0.307285
+C	-0.4254513658	-1.0791396079	-2.5132708104	-0.0391
+C	-0.9988615511	-1.5837788826	-1.2049962658	-0.060047
+C	-0.005731249	-2.1600797082	-0.2267421583	-0.296234
+C	-0.406932322	-0.7099175214	-0.1175802168	-0.072283
+C	 0.4547127906	 0.3829294355	-0.7705097193	 0.0623
+O	 1.7883622307	 0.4776279866	-0.3035888668	-0.437253
+H	-0.1008871766	 2.0248192354	-3.1493520704	 0.122681
+H	 1.6342227868	 1.6835364502	-3.0548498898	 0.139217
+H	 0.6408832862	 0.8701450096	-4.2816584317	 0.128387
+H	-0.9465320853	-1.2709116967	-3.4477416666	 0.094445
+H	-2.0320542722	-1.9096415775	-1.1951458087	 0.086471
+H	-0.3913840274	-2.8240644568	 0.5391219377	 0.110729
+H	 0.9744216188	-2.4214700341	-0.604933423	 0.126875
+H	-0.9953726702	-0.4229221218	 0.746206354	 0.088511
+H	 0.0061489121	 1.3599191564	-0.5585621955	 0.086341
+H	 2.2351919524	-0.3260194068	-0.595997248	 0.289021
+19
+0 3161	2.3071385	1.9704805	1.3350876	2.8624	73.84	-0.25071	0.0681	0.31881	1002.1111	0.157005	-422.539416	-422.531344	-422.530399	-422.571436	32.02
+C	 0.8620351603	 0.947363206	 0.033352224	-0.385637
+C	 0.888193956	-0.5760280889	 0.1947381282	-0.117062
+C	 1.2704918158	-1.2937645748	-1.1020469487	 0.047414
+O	 2.5243805889	-0.8685628242	-1.6491674905	-0.258064
+C	 2.483708897	-2.1044436808	-0.9218982051	 0.033294
+C	 2.936268626	-1.9821963646	 0.4991996479	-0.121735
+C	 1.9695314616	-2.5417261877	 1.5293497141	-0.359976
+C	 1.958916602	-1.0691325843	 1.1928512223	 0.411013
+O	 2.4620316796	-0.1692139403	 2.1332718738	-0.466733
+H	 0.6580464659	 1.4424842849	 0.9859708398	 0.104614
+H	 1.8243633412	 1.3062810197	-0.3378267848	 0.142999
+H	 0.084324594	 1.2424798352	-0.6784830543	 0.106836
+H	-0.1081922722	-0.9217549914	 0.5038811867	 0.067633
+H	 0.5062909604	-1.5351638469	-1.837704084	 0.091204
+H	 2.689623726	-2.9972598106	-1.5078885822	 0.095093
+H	 3.992715151	-1.9400778678	 0.7377972206	 0.103448
+H	 1.1535705203	-3.1766020942	 1.1958009443	 0.107528
+H	 2.3953696911	-2.8080764451	 2.4904000361	 0.115193
+H	 1.8222820051	-0.0944351042	 2.8498091218	 0.282938
+19
+0 3162	2.5187702	1.8474766	1.3574599	3.1902	73.49	-0.25743	0.0602	0.31762999999999997	1006.6846	0.156068	-422.531728	-422.523496	-422.522551	-422.564006	31.824
+C	 1.0850843788	-0.6031890331	-0.8944473219	-0.397482
+C	 1.1180592141	 0.2502732659	 0.3782348958	-0.089243
+C	 1.8358318002	 1.5905645667	 0.1957259173	 0.021787
+O	 3.2069075327	 1.5006440828	-0.1999718671	-0.234702
+C	 2.9208303841	 1.7185880831	 1.1825351983	 0.008887
+C	 2.9328902691	 0.452659769	 2.0215227796	-0.063762
+O	 3.220593791	-0.7332561376	 1.2764973555	-0.275484
+C	 1.8449307696	-0.4304263155	 1.5560212322	 0.392136
+C	 1.1149213745	-1.4304030937	 2.4116061476	-0.48298
+H	 0.5722473842	-1.5545398713	-0.7211298239	 0.11306
+H	 0.5608353664	-0.0838920571	-1.7026696089	 0.113317
+H	 2.1060176166	-0.812680236	-1.2207368993	 0.153058
+H	 0.0920539545	 0.4702144168	 0.7032362966	 0.074733
+H	 1.2940156633	 2.4406886864	-0.2148009689	 0.094622
+H	 3.2604965715	 2.6612829315	 1.6021236528	 0.096486
+H	 3.297219054	 0.4764616556	 3.0455100569	 0.092025
+H	 1.7680594088	-1.7974534821	 3.2071807432	 0.131573
+H	 0.2232921366	-0.9839508383	 2.8642498746	 0.120927
+H	 0.7934339298	-2.2916493433	 1.8152706997	 0.131041
+19
+0 3163	2.4048649	1.79746	1.3320961	1.5753	73.03	-0.23999	0.06527	0.30526	1009.9259	0.157466	-422.536205	-422.528035	-422.527091	-422.568319	32.605
+O	 0.484559598	 0.7174795334	 0.6951257754	-0.437547
+C	-0.8827192584	 1.0667610413	 0.5262427118	 0.02693
+C	-1.8178541227	-0.0717288322	 0.1117547511	-0.069055
+C	-2.0749796987	-1.2329840688	 1.0448955616	-0.315882
+C	-3.0223839005	-0.0602387096	 1.0301849282	-0.035074
+C	-2.831399637	 1.0630646033	 2.0394717445	-0.094873
+C	-1.6825735081	 0.9873160289	 3.034522368	-0.367369
+C	-1.530441085	 1.7505214958	 1.7451776527	 0.3893
+O	-1.4452254082	 3.1430000176	 1.800019174	-0.471146
+H	 0.518114866	-0.0619447236	 1.2595953612	 0.277771
+H	-0.8790904182	 1.8195107681	-0.2692578884	 0.099693
+H	-1.9179788118	-0.2613451985	-0.9506783278	 0.090895
+H	-2.4158140926	-2.1504058977	 0.5769342651	 0.11478
+H	-1.4453941546	-1.4094093862	 1.9100275889	 0.104771
+H	-4.0243544483	-0.2145517486	 0.6474332698	 0.087917
+H	-3.7034555163	 1.6365992861	 2.3303831067	 0.096453
+H	-1.7897991927	 1.6078984199	 3.9179747201	 0.115379
+H	-1.1575685845	 0.0556528574	 3.2125959078	 0.101091
+H	-0.5411305662	 3.3679835736	 2.0483909693	 0.285966
+19
+0 3164	2.4848346	2.0516763	1.5050282	3.0148	73.25	-0.24561	0.07374	0.31935	942.5363	0.158652	-422.529589	-422.522345	-422.521401	-422.560834	29.218
+C	 0.5720005796	-1.112080334	 2.4464879753	-0.400976
+C	 0.7518496706	-1.292128131	 0.9352084666	-0.017781
+C	 0.210428653	-0.0939616785	 0.1471557951	 0.029805
+O	 0.6741073637	 1.2110172569	 0.5256695445	-0.239272
+C	 1.1658946156	 0.6525792984	-0.6852715598	 0.041723
+C	 2.5842290668	 0.0829639818	-0.6480719101	 0.044475
+C	 2.492155989	-1.4272788858	-0.9641483416	-0.267616
+C	 2.2298842835	-1.4974257957	 0.5590069879	 0.088482
+O	 2.9308444598	-0.2295418592	 0.7202281774	-0.2782
+H	 0.9189255686	-1.9967240079	 2.9905565806	 0.108089
+H	 1.1454868678	-0.2454250314	 2.7832719056	 0.152782
+H	-0.4794486711	-0.9484682625	 2.702629881	 0.112934
+H	 0.1930811869	-2.1779656034	 0.6017055949	 0.073128
+H	-0.8451695844	-0.120773692	-0.1208024497	 0.091816
+H	 0.8481842965	 1.1470750228	-1.6028599109	 0.091121
+H	 3.3313883192	 0.7119395037	-1.1378810491	 0.080996
+H	 1.712547747	-1.7684164054	-1.6500507013	 0.09953
+H	 3.4576439414	-1.8588631227	-1.2312519837	 0.113255
+H	 2.6972814165	-2.3012226241	 1.1359212873	 0.075708
+19
+0 3165	2.381152	2.0109137	1.4391257	2.2487	73.09	-0.23718	0.0655	0.30268	957.754	0.159396	-422.536884	-422.529681	-422.528737	-422.568013	29.658
+O	 0.3832312045	-0.9333255312	 0.2876089844	-0.435199
+C	 1.5581639007	-0.1810902068	 0.5639380201	 0.105089
+C	 1.2996627544	 0.9324268688	 1.5889967836	-0.071421
+C	 2.2974352174	 2.0428155066	 1.8310989417	-0.302216
+C	 2.1702131304	 0.926741386	 2.8318635182	-0.038714
+C	 3.2017137324	-0.1887033283	 2.8032594372	 0.079394
+C	 2.5006117222	-1.5373570844	 2.5315326024	-0.259646
+C	 2.6907149622	-1.0936953784	 1.0632715295	 0.067251
+O	 3.8025381708	-0.2483467844	 1.4760152696	-0.29511
+H	 0.0691821541	-1.3067786097	 1.1186484914	 0.279308
+H	 1.8517017512	 0.2444867875	-0.4021641103	 0.096839
+H	 0.2498462775	 1.1904457471	 1.6841078767	 0.088417
+H	 3.1912998569	 2.0587552462	 1.2189674369	 0.132881
+H	 1.9021400258	 3.0152983345	 2.1031363856	 0.107335
+H	 1.7175932538	 1.1293746323	 3.7979823499	 0.084311
+H	 3.9573710676	-0.1170452869	 3.5899201489	 0.078916
+H	 3.122636306	-2.399773458	 2.774953353	 0.112696
+H	 1.4897578817	-1.6753425112	 2.9254060622	 0.086809
+H	 2.9765859803	-1.8402076197	 0.3186595992	 0.083059
+19
+0 3166	2.4702061	2.0051664	1.4962663	2.2253	72.87	-0.25714	0.07747	0.33460999999999996	937.3714	0.159729	-422.541188	-422.534123	-422.533179	-422.572209	29.205
+O	-1.6915728577	 0.2896459189	-2.0741027817	-0.44556
+C	-0.843829877	-0.4410971508	-1.20343633	 0.127343
+C	-0.3057444969	 0.4502794666	-0.0867008628	-0.00709
+O	 0.3684050992	 1.6398647205	-0.5366320356	-0.265239
+C	 1.1551591156	 0.5754482365	 0.0196181915	 0.053061
+C	 1.9694614041	-0.2847525849	-0.9405850523	-0.053228
+C	 1.4096106895	-0.1376709463	-2.3800108654	-0.230971
+C	 0.3060459561	-1.1452212227	-1.9512044972	-0.043138
+C	 1.3376770393	-1.7122442623	-0.9302679532	-0.239007
+H	-1.2424655278	 1.1243428422	-2.2547760795	 0.292732
+H	-1.47800704	-1.2122645363	-0.7484161465	 0.085987
+H	-0.948336667	 0.6103108847	 0.7770422534	 0.098352
+H	 1.6046878949	 0.8138976756	 0.9820350088	 0.095004
+H	 3.0435442657	-0.1779218615	-0.7777487604	 0.064476
+H	 1.1176226895	 0.8580992459	-2.7136498324	 0.104973
+H	 2.0880592637	-0.5855784545	-3.1101713806	 0.096945
+H	-0.104937166	-1.8143315182	-2.7097498547	 0.070433
+H	 0.966025947	-2.099298942	 0.0240387993	 0.092218
+H	 1.9953303179	-2.4540148914	-1.3902230105	 0.102709
+19
+0 3167	2.2882078	2.0409154	1.2719494	0.7977	73.68	-0.24762	0.07063	0.31825000000000003	1015.1142	0.158298	-422.533674	-422.526038	-422.525094	-422.5658	29.49
+C	-0.0173770579	-0.0231021145	-0.158269302	-0.404325
+C	 1.5041031141	 0.0274644918	 0.0063496711	-0.035222
+C	 2.066265358	 1.442344543	 0.1075445239	 0.03864
+O	 3.4953065981	 1.4794604519	-0.0281381213	-0.265715
+C	 2.9392126571	 1.5881179311	 1.2839862065	 0.029048
+C	 2.9954797622	 0.2854798369	 2.0474982803	-0.1176
+C	 1.9969391345	 0.1744718633	 3.2133348259	-0.087609
+O	 1.0616187337	-0.5599441155	 2.3987379725	-0.287805
+C	 2.0058620329	-0.6556980988	 1.3014243252	 0.119044
+H	-0.518519615	 0.4416619237	 0.6934281597	 0.134053
+H	-0.3226602364	 0.4939379979	-1.0734756996	 0.111461
+H	-0.3685944582	-1.0572994134	-0.2229546755	 0.121021
+H	 1.9782722501	-0.4593135717	-0.8544748362	 0.087955
+H	 1.5376781076	 2.2814184843	-0.3403035454	 0.093013
+H	 3.1044596956	 2.5375203754	 1.7905029796	 0.095726
+H	 4.0144068175	-0.0591453075	 2.229702387	 0.090097
+H	 2.3507530722	-0.4218678574	 4.0638408578	 0.101786
+H	 1.5711156946	 1.1134314785	 3.5893470054	 0.101219
+H	 2.3144621594	-1.695516709	 1.147621955	 0.075213
+19
+0 3168	2.6670732	1.7427765	1.3292809	3.0811	73.24	-0.23962	0.06155	0.30117	1013.1285	0.15831	-422.529711	-422.5222	-422.521256	-422.561513	29.4
+C	 2.3848087079	 1.5071086518	-0.2034738619	-0.411036
+C	 1.7428697693	 0.1172614297	-0.2996399798	-0.038529
+C	 2.3929794834	-0.7127459472	-1.4012142021	 0.046309
+O	 1.8730549127	-2.0375781655	-1.50348351	-0.250122
+C	 3.1284456709	-1.8621756438	-0.836172382	 0.009947
+C	 2.9793119691	-1.8549479885	 0.6764384313	 0.104261
+O	 2.0866553515	-2.8622869085	 1.1903372852	-0.289309
+C	 1.0198098786	-1.8959421808	 1.340600395	-0.091104
+C	 1.9612577626	-0.7225951705	 0.9799346358	-0.079856
+H	 1.9222142373	 2.0954244657	 0.5946687854	 0.121397
+H	 3.4566427184	 1.4345119446	 0.013817515	 0.118922
+H	 2.2716924877	 2.0638026643	-1.1395135102	 0.118291
+H	 0.6721721379	 0.2301888605	-0.5112936496	 0.088814
+H	 2.6697536244	-0.2455826505	-2.3451622735	 0.092471
+H	 3.9837522381	-2.3226203351	-1.3241747512	 0.096734
+H	 3.9485735443	-1.8631181476	 1.1872177816	 0.073748
+H	 0.2075962198	-2.0730741903	 0.627621073	 0.11204
+H	 0.6230153262	-1.8952689273	 2.3624573498	 0.096745
+H	 2.2059430599	-0.095662741	 1.8390435084	 0.080278
+19
+0 3169	2.4207736	1.9707947	1.2994217	2.8674	73.48	-0.24994	0.05562	0.30556	997.9451	0.159419	-422.538901	-422.531588	-422.530644	-422.570698	29.249
+O	 0.5134691319	 0.0760641873	 0.7996480058	-0.440855
+C	-0.858663487	 0.3907616072	 0.8524840297	 0.113692
+C	-1.4049071868	 0.445843627	 2.281226777	-0.063973
+C	-2.8930064524	 0.6425403849	 2.4212951106	-0.308015
+C	-1.9690162792	 1.8210513972	 2.5804560333	-0.046289
+C	-1.7952131669	 2.6978972156	 1.3593466577	-0.08405
+C	-0.4891126275	 3.5141491155	 1.2987785794	-0.090685
+O	 0.0888602287	 2.6108827748	 0.3230622236	-0.303111
+C	-1.1242985645	 1.8144790944	 0.269938288	 0.075658
+H	 0.9705729201	 0.9311181194	 0.7803700968	 0.288456
+H	-1.3868709259	-0.3710317713	 0.2654681564	 0.077873
+H	-0.8749951414	-0.1356888282	 3.0261729017	 0.094118
+H	-3.5083303849	 0.583707069	 1.5262171928	 0.106726
+H	-3.3742312748	 0.2528583294	 3.3113871784	 0.115148
+H	-1.8658593724	 2.2746273945	 3.5610035441	 0.086905
+H	-2.6958211059	 3.2453294966	 1.0733678612	 0.081886
+H	-0.5827318695	 4.5257896998	 0.8883769861	 0.107767
+H	 0.0989956029	 3.5500132743	 2.2231003998	 0.107562
+H	-1.5419137846	 1.8105532727	-0.7405467623	 0.081188
+19
+0 3170	2.6868218	1.7251018	1.2249449	1.5586	73.61	-0.24527	0.06217	0.30744	1032.1913	0.158781	-422.536684	-422.529085	-422.528141	-422.568879	29.821
+O	 0.391445029	 0.0970574817	-0.072373611	-0.434213
+C	-0.7717026859	 0.4752384559	 0.6589287686	 0.084623
+C	-1.9968662816	 0.2843809672	-0.224507192	-0.029985
+C	-1.9678934804	 1.0326883891	-1.534810149	-0.286633
+C	-2.7389423008	 1.5959672183	-0.3733103853	-0.064053
+C	-2.0209831345	 2.653158381	 0.4304215904	 0.126409
+O	-2.6151420487	 2.8821639988	 1.7299926402	-0.296282
+C	-1.4719990489	 2.3190690182	 2.400103399	-0.083375
+C	-0.7769652939	 1.9723437059	 1.0654499602	-0.12376
+H	 1.1441958935	 0.1362135387	 0.5262763963	 0.279404
+H	-0.861356878	-0.1531898749	 1.5580254371	 0.065166
+H	-2.5221854219	-0.6619584738	-0.1783610523	 0.085109
+H	-1.0344161208	 1.5015829412	-1.827813034	 0.123601
+H	-2.5353113596	 0.6177400824	-2.3598921631	 0.112696
+H	-3.8216123732	 1.6383071867	-0.4135771099	 0.094089
+H	-1.8803055885	 3.5987357755	-0.1069018319	 0.076518
+H	-0.953674274	 3.0643271585	 3.0167002792	 0.098567
+H	-1.7426881313	 1.4632116632	 3.0335524464	 0.096774
+H	 0.1970688694	 2.4362198463	 0.9055129112	 0.075348
+19
+0 3171	2.6122996	1.746186	1.3387907	0.9911	73.54	-0.25218	0.06639	0.31857	1004.6921	0.158411	-422.53959	-422.531991	-422.531047	-422.57145	30.033
+O	-0.0002677896	 0.7376968169	-0.0412123951	-0.436742
+C	-0.8274872505	-0.0192010557	 0.8380958497	 0.069256
+C	-0.9918985699	 0.7053575115	 2.1705422316	 0.002571
+O	-1.9653140932	 0.1042542889	 3.0276374738	-0.259778
+C	-2.3458172115	 1.2729162334	 2.2744188197	 0.036621
+C	-3.1470326817	 0.9533578117	 1.0307535858	-0.048441
+C	-4.2318014638	-0.1550597629	 1.1792721626	-0.224846
+C	-3.2158779816	-1.2051284678	 0.6431683004	-0.237739
+C	-2.2451183851	-0.0554601918	 0.2432875372	-0.004603
+H	 0.8917032088	 0.7512921047	 0.3210091024	 0.283837
+H	-0.4258838685	-1.0340161202	 0.9804317033	 0.073712
+H	-0.121374262	 1.1310859583	 2.6689448929	 0.085049
+H	-2.5672997631	 2.1481433537	 2.8806386757	 0.092856
+H	-3.4490930265	 1.8719529864	 0.5215824212	 0.071576
+H	-4.6126113577	-0.3207670301	 2.1890974518	 0.107044
+H	-5.0784463414	 0.0016531738	 0.5065337752	 0.098308
+H	-2.8134710582	-1.8422220933	 1.4325312937	 0.113338
+H	-3.564311607	-1.8362374378	-0.1779927366	 0.092836
+H	-2.1888670176	 0.1157038604	-0.8324920052	 0.085143
+19
+0 3172	2.5747219	1.7791189	1.2963975	3.2454	73.94	-0.26186	0.08141	0.34326999999999996	1021.0634	0.156856	-422.534297	-422.526305	-422.525361	-422.566624	31.014
+C	 3.3797709703	 0.536072923	-0.3525958715	-0.394531
+C	 1.9046632808	 0.151171767	-0.2327171106	-0.109165
+C	 1.2585119088	-0.237250022	-1.5531334733	 0.04271
+O	 1.688981161	-1.5165263759	-2.0374463989	-0.255714
+C	 0.4189842005	-1.4288975728	-1.3782044976	 0.038461
+C	 0.4638950236	-1.8712747418	 0.0699016645	-0.323271
+C	 1.643304988	-1.0859777714	 0.6504833663	 0.41676
+C	 2.0239020127	-1.1559500833	 2.0634973393	-0.255286
+O	 2.7783537866	-1.8492057866	 1.0667544189	-0.252531
+H	 3.8203097496	 0.7442917175	 0.6265857067	 0.117588
+H	 3.9462656277	-0.2772875897	-0.8102732162	 0.147529
+H	 3.4916857616	 1.4338069588	-0.9688150335	 0.107876
+H	 1.334279615	 0.9978857735	 0.1768088248	 0.07953
+H	 1.0709912405	 0.5135364629	-2.3175600308	 0.091994
+H	-0.4475444319	-1.6381336486	-2.000243444	 0.09458
+H	-0.4775827521	-1.6041163069	 0.5662711702	 0.106371
+H	 0.6212849682	-2.9466003329	 0.1897980071	 0.128542
+H	 2.5304592673	-0.3123681706	 2.5326380919	 0.108663
+H	 1.4560243618	-1.7875167504	 2.7465543168	 0.109894
+19
+0 3173	2.831728	1.6030709	1.194543	2.1517	74.13	-0.25638	0.0694	0.32578	1061.0126	0.157798	-422.535358	-422.527597	-422.526653	-422.567498	30.985
+O	 0.2694380964	 0.8044017343	 0.4969397056	-0.443878
+C	-1.090458127	 0.7152444733	 0.8421975382	 0.056575
+C	-1.3553927976	 0.5359199413	 2.3445046577	-0.067328
+C	-2.7259020308	 0.9050964912	 2.8463385004	-0.284845
+C	-2.4139392503	-0.5351691505	 2.5358033421	-0.038546
+C	-2.8266805812	-1.0578650609	 1.1562483803	-0.327886
+C	-1.7575835705	-0.5272738017	 0.2105001866	 0.375274
+C	-1.643774652	-0.830861449	-1.2145412239	-0.245527
+O	-0.7954892098	-1.4936615767	-0.2588049278	-0.276354
+H	 0.5395800076	-0.0993836958	 0.2740640009	 0.29084
+H	-1.5767919316	 1.6295481028	 0.4756525269	 0.085018
+H	-0.498659766	 0.6329033972	 3.000201093	 0.096205
+H	-2.8230816204	 1.1912229656	 3.8881643509	 0.112344
+H	-3.3921103552	 1.4441442576	 2.175882216	 0.103589
+H	-2.356480001	-1.2414732805	 3.3555233005	 0.089619
+H	-2.8373633392	-2.14962492	 1.1133039366	 0.122342
+H	-3.823472165	-0.705353997	 0.8654867025	 0.107784
+H	-2.376618665	-1.4749661864	-1.6977412193	 0.119309
+H	-1.1318280811	-0.1281150247	-1.8700877472	 0.125464
+19
+0 3174	2.4656145	1.7662613	1.3337794	0.9751	74.3	-0.22381	0.08152	0.30533	1019.2482	0.157163	-422.528457	-422.520481	-422.519537	-422.560606	31.743
+O	 0.4080473028	 0.7920291565	 0.3553849422	-0.431038
+C	-0.618375859	 0.0063979878	 0.9463278218	 0.054552
+C	-1.8046034473	-0.149860486	 0.00698472	-0.114779
+C	-3.0896869494	-0.7205612864	 0.586164925	-0.333569
+C	-2.8663632726	 0.7649997114	 0.5593652767	 0.097804
+O	-2.3986895612	 1.390870741	 1.731114847	-0.294728
+C	-1.2595704807	 0.6684603375	 2.1685768182	 0.385288
+C	-1.3052284291	 0.0090683078	 3.5222790802	-0.327085
+C	-0.473632547	 1.2578103512	 3.2880726211	-0.343872
+H	 0.0392604881	 1.6671031413	 0.1888577964	 0.284502
+H	-0.1385777014	-0.94003736	 1.2098697236	 0.093412
+H	-1.5922873177	-0.2498095689	-1.0503240723	 0.098098
+H	-3.8016405874	-1.1269425725	-0.1240833268	 0.114465
+H	-3.0563985734	-1.238143111	 1.5383307739	 0.126478
+H	-3.4868158864	 1.4247417193	-0.034421737	 0.102368
+H	-2.2225070036	 0.1256361487	 4.0886577702	 0.121287
+H	-0.7955934835	-0.9394462229	 3.6596013788	 0.11312
+H	-0.8431558697	 2.1865761822	 3.7078999014	 0.125193
+H	 0.6061627286	 1.171633423	 3.2419364396	 0.128505
+19
+0 3175	2.460942	1.6915075	1.2980119	2.1028	73.88	-0.25108	0.0642	0.31528	1034.9116	0.157312	-422.537918	-422.529831	-422.528887	-422.570443	31.526
+O	 0.3572923623	 0.3726901666	 0.9356700921	-0.42419
+C	-0.9259543066	 0.5409333231	 0.3401835209	 0.005292
+C	-1.3300664281	 2.0082375173	 0.3508586114	 0.009582
+O	-2.6772281632	 2.2361145906	-0.0734266731	-0.254177
+C	-2.4062557768	 2.2133229349	 1.3331876025	 0.048452
+C	-2.7577974988	 0.8921700078	 1.9884362162	-0.341581
+C	-2.0728513022	-0.1507914172	 1.0931470134	 0.341907
+C	-2.8789552307	-1.2196415442	 0.400497993	-0.302491
+C	-1.9311677119	-1.5908023935	 1.5107516322	-0.326062
+H	 0.2832502333	 0.5971343177	 1.8697236656	 0.280118
+H	-0.816178579	 0.1525781241	-0.6766798415	 0.095476
+H	-0.6009444327	 2.7678599078	 0.0808862008	 0.098434
+H	-2.5587666622	 3.1562504604	 1.8523604418	 0.096156
+H	-2.3623681144	 0.8800106054	 3.0134405935	 0.098101
+H	-3.8393569287	 0.7371283918	 2.0569885597	 0.114743
+H	-3.9449392382	-1.2558972012	 0.6003196554	 0.111537
+H	-2.6082458895	-1.4825599289	-0.6167758199	 0.115843
+H	-2.3520043286	-1.884759375	 2.4670918306	 0.108362
+H	-1.0043585039	-2.0934750676	 1.2565981355	 0.124497
+19
+0 3176	2.848366	1.3920007	1.0419513	2.897	74.92	-0.24206	-0.02833	0.21373	1159.2924	0.156147	-422.554986	-422.546384	-422.54544	-422.588517	31.96
+C	-0.0507232973	 0.1853683326	-0.2363912375	-0.407544
+C	 1.4314397313	-0.1117507456	-0.0180880377	-0.012772
+C	 1.8071696469	-0.9519340723	 1.1952788563	-0.091302
+C	 1.5252927245	-2.445987911	 1.1388128271	-0.327156
+C	 2.8664895117	-1.9017263408	 0.7248910571	 0.108756
+O	 3.1137270556	-1.711302545	-0.6486394591	-0.274245
+C	 2.0548247185	-0.9364107214	-1.1908982266	 0.026424
+C	 2.6051182549	-0.0306603356	-2.2731905528	 0.133417
+O	 1.9173023204	 0.5318406999	-3.0855058358	-0.25079
+H	-0.4458788937	 0.8189791695	 0.563270319	 0.11773
+H	-0.2001456783	 0.7023255178	-1.1892277793	 0.142368
+H	-0.6373315503	-0.7391853762	-0.2557248949	 0.118027
+H	 1.9737164225	 0.8399569987	 0.0671777658	 0.085923
+H	 1.8657652413	-0.4607750868	 2.1596281827	 0.094966
+H	 1.4743471842	-2.9715054015	 2.0861579021	 0.117459
+H	 0.8593417439	-2.8374075199	 0.3772197665	 0.122047
+H	 3.7710961023	-2.1411844497	 1.2701294522	 0.106232
+H	 1.2820215927	-1.5782512058	-1.6372342311	 0.098576
+H	 3.7090494687	 0.1009372232	-2.226535374	 0.091884
+19
+0 3177	2.775292	1.3372773	1.0121152	2.978	75.28	-0.25218	-0.02506	0.22712000000000002	1182.4573	0.156382	-422.567735	-422.559149	-422.558205	-422.601564	31.654
+C	 0.6912416505	 0.9721109315	-0.2268227727	-0.408634
+C	 1.0497745725	-0.5049380838	-0.0577715411	-0.026565
+C	 1.8153573119	-1.1105918171	-1.2220406617	 0.03513
+O	 3.194373178	-0.7154157365	-1.2644106466	-0.257368
+C	 2.8629684467	-2.0029005376	-0.7224923624	 0.045989
+C	 2.8197865481	-2.0275226806	 0.7917187933	-0.288451
+C	 1.9886155914	-0.772985068	 1.1672431467	-0.067176
+C	 1.1743898129	-0.9592779262	 2.4240814633	 0.150316
+O	 1.1195726629	-0.1826908976	 3.3418155596	-0.249962
+H	 0.2349176049	 1.3724525995	 0.6836268063	 0.132635
+H	 1.5905590564	 1.5568916463	-0.4425820536	 0.13703
+H	-0.0154181533	 1.1159395287	-1.0504363721	 0.115665
+H	 0.1261740283	-1.0923356881	 0.0606244719	 0.078045
+H	 1.3344009707	-1.2366955976	-2.18958098	 0.096643
+H	 3.2364357812	-2.8558911923	-1.2834138624	 0.099302
+H	 2.3170932857	-2.9484415002	 1.1180955147	 0.106536
+H	 3.8122791617	-2.0154976764	 1.2511258124	 0.124712
+H	 2.6415892031	 0.0894803068	 1.3105274783	 0.108465
+H	 0.5742966965	-1.902716711	 2.4355282659	 0.067687
+19
+0 3178	2.9353764	1.3671239	1.102491	2.8359	74.56	-0.24939	-0.01688	0.23251	1127.7463	0.157337	-422.57072	-422.562317	-422.561372	-422.603871	31.802
+O	 1.8277958442	-1.918719227	-1.4265331822	-0.427571
+C	 0.5136247981	-1.4538370759	-1.7203517389	 0.11034
+C	 0.3565475868	-1.1438437977	-3.1967105294	-0.057951
+C	-0.8631601476	-0.3791907234	-3.6490761724	-0.300584
+C	 0.4209329961	 0.362090775	-3.3828174963	-0.036818
+C	 0.5732337294	 1.0080322183	-2.0132468728	-0.238496
+C	 0.1949177171	-0.0982117558	-1.0050304634	-0.151147
+C	 0.9094825197	-0.0203193274	 0.3262889486	 0.154044
+O	 1.731886965	 0.8107579893	 0.6164019832	-0.249088
+H	 2.4570227508	-1.3049855381	-1.8229730855	 0.286612
+H	-0.1453537169	-2.254922931	-1.3720165019	 0.093419
+H	 0.8271429574	-1.8352212425	-3.887059373	 0.093356
+H	-1.1566729696	-0.5099699463	-4.6847838188	 0.115723
+H	-1.7017907899	-0.256579946	-2.9706233743	 0.111522
+H	 0.9448026622	 0.8004784345	-4.2248146045	 0.087708
+H	 1.6088495358	 1.3198208855	-1.8410810668	 0.119812
+H	-0.047422745	 1.9005725434	-1.8877439698	 0.108513
+H	-0.8798873989	-0.0773682761	-0.7817729852	 0.097914
+H	 0.6169703651	-0.8120007887	 1.0504856534	 0.082692
+19
+0 3179	2.2117041	1.9106504	1.367622	3.3258	73.83	-0.2442	0.08188	0.32608	1017.1834	0.157881	-422.534355	-422.526572	-422.525627	-422.566424	30.291
+C	 5.6964949279	-0.7385264795	 0.7272127936	-0.406041
+C	 4.9410463188	-0.7112568743	 2.0673758765	-0.064429
+C	 3.849680571	-1.7687866455	 2.0626189866	 0.059096
+O	 3.0267487216	-1.9023052104	 3.2215235743	-0.255388
+C	 2.4188251072	-1.4314519214	 2.0164424925	 0.048455
+C	 1.9330733426	 0.0014376921	 1.9933567674	-0.278705
+C	 2.9965767442	 1.0355965956	 2.2919137709	 0.048454
+O	 3.6896009918	 0.9281346488	 3.5375719973	-0.255388
+C	 4.4261550489	 0.6928093772	 2.337483907	 0.059097
+H	 6.1191203172	-1.7293636508	 0.5362661953	 0.122419
+H	 5.0324342856	-0.4897490901	-0.1079248016	 0.121032
+H	 6.5198686109	-0.0181885991	 0.7273496559	 0.122419
+H	 5.648412678	-0.9664376599	 2.8691245844	 0.10118
+H	 4.163239326	-2.7244802119	 1.6366689694	 0.084088
+H	 1.7350225727	-2.1489278016	 1.5594210649	 0.08792
+H	 1.5212748092	 0.2091764616	 0.9965790991	 0.1077
+H	 1.1020235362	 0.117016605	 2.7012405601	 0.126081
+H	 2.7202969234	 2.0582775103	 2.0291985514	 0.08792
+H	 5.1477552868	 1.4794804439	 2.106086925	 0.084088
+19
+0 3180	2.3020101	1.9461085	1.2869347	2.4988	73.46	-0.25654	0.07591	0.33245	1014.317	0.159116	-422.539937	-422.532347	-422.531403	-422.572068	30.206
+O	 5.3200040727	 1.1854269656	 0.2308701563	-0.433909
+C	 4.5098080574	 1.3598362987	 1.3845561359	 0.098524
+C	 3.3710093831	 2.3311861366	 1.1171637247	-0.053824
+C	 2.4162554778	 2.7003254944	 2.2232431089	-0.302702
+C	 1.9258178658	 1.8889065073	 1.0502699644	-0.022156
+C	 1.5319431722	 0.4366689312	 1.2599703302	-0.266108
+C	 2.6436116797	-0.4516372204	 1.7800853112	 0.061982
+O	 3.6194220464	-0.8703451108	 0.8178541451	-0.265336
+C	 4.048528153	-0.0075743947	 1.8801172053	-0.012633
+H	 4.8602237331	 0.5322944789	-0.313115661	 0.289319
+H	 5.171200796	 1.7985737929	 2.1410130789	 0.087005
+H	 3.6709017354	 3.1274172666	 0.4433051035	 0.094732
+H	 2.5264510356	 2.1834441087	 3.1733970092	 0.10731
+H	 2.1028669369	 3.73407969	 2.3164553181	 0.113312
+H	 1.3015975297	 2.4166191293	 0.3358457945	 0.086885
+H	 0.6855170054	 0.3815323872	 1.9555671956	 0.106293
+H	 1.1834753487	 0.0008904819	 0.3158913609	 0.119287
+H	 2.3273792793	-1.2591374186	 2.4411975387	 0.094452
+H	 4.7010487918	-0.4965110946	 2.6027313894	 0.09757
+19
+0 3181	2.7447496	1.8400279	1.4242706	1.9017	73.54	-0.25557	0.07778	0.33335000000000004	961.8481	0.158846	-422.521122	-422.513858	-422.512914	-422.552381	30.146
+O	 2.2112559113	 0.9338562001	 2.6495867743	-0.427573
+C	 1.6277255938	 1.5827319873	 1.5333153524	 0.066081
+C	 2.6619903565	 2.0570032778	 0.4901163686	-0.060899
+C	 4.10026527	 1.6003219761	 0.5733031944	-0.321904
+C	 3.1595442816	 0.9375085534	-0.3840589935	 0.09762
+O	 2.6427047627	-0.3226145251	-0.0116144445	-0.272552
+C	 1.233826717	-0.3144893446	-0.1051296386	 0.09762
+C	 0.4664396509	-0.7621971577	 1.0996498376	-0.321906
+C	 0.5926696816	 0.7116412733	 0.7898475161	-0.060896
+H	 2.6701370114	 0.1536715115	 2.3160340055	 0.285273
+H	 1.1220766274	 2.4544078656	 1.9549311012	 0.091416
+H	 2.4573118321	 3.022712802	 0.0399417488	 0.088867
+H	 4.8637219014	 2.2470332202	 0.1545022329	 0.115549
+H	 4.4107199627	 1.0533551868	 1.4558485352	 0.122373
+H	 3.2924832506	 1.0676444353	-1.4562253656	 0.08707
+H	 0.8502429641	-0.5201690765	-1.1024801132	 0.087071
+H	-0.4942897189	-1.2364509579	 0.9305984707	 0.115549
+H	 1.0165490774	-1.153363572	 1.9474772718	 0.122372
+H	-0.2885931737	 1.2374707942	 0.4376758859	 0.088867
+19
+0 3182	2.4551024	1.5810378	1.1565642	0.8198	77.24	-0.23908	0.01749	0.25656999999999996	1115.4125	0.15678	-422.557267	-422.548611	-422.547667	-422.590446	32.644
+C	 1.4395692497	 0.7563127748	-0.2672500188	-0.480718
+C	 0.0242382781	 0.2475333437	-0.2327210697	 0.347318
+C	-1.0185196814	 0.9954542739	-0.593451109	-0.148472
+C	-2.4564621213	 0.5582942377	-0.6121109789	-0.298375
+C	-2.6915088399	-0.7873579709	 0.027365494	 0.056466
+O	-2.3151318044	-0.9135088651	 1.4065563207	-0.265759
+C	-1.5608207946	-1.6300589444	 0.4287001499	 0.025752
+C	-0.1242878261	-1.1836512244	 0.2307956983	-0.032741
+O	 0.5110292949	-2.0178551582	-0.7466846277	-0.429769
+H	 1.888900927	 0.7389145856	 0.7346301556	 0.11846
+H	 2.0605751888	 0.1174140435	-0.9038146666	 0.140558
+H	 1.4896361029	 1.780991747	-0.6442103979	 0.116287
+H	-0.8370432634	 2.0195108101	-0.9140382207	 0.0823
+H	-3.0847569601	 1.3097002974	-0.1135354278	 0.119721
+H	-2.8171986473	 0.5191960417	-1.650558297	 0.116593
+H	-3.6390935462	-1.2697524495	-0.2134046828	 0.090098
+H	-1.6907882218	-2.7141371326	 0.4576270032	 0.078585
+H	 0.3976975894	-1.2858461866	 1.1980638561	 0.077819
+H	 0.6946339458	-2.8689134637	-0.336022511	 0.285876
+19
+0 3183	2.3330249	1.6833287	1.3567564	4.3464	74.6	-0.25822	0.01353	0.27175	1038.1913	0.158273	-422.589276	-422.581089	-422.580144	-422.621979	31.146
+C	 0.2335496757	-2.1164561022	 0.7480805229	-0.405553
+C	-0.8470434592	-1.3816883791	-0.0728207065	-0.127947
+C	-2.1584748976	-1.2845196783	 0.685542485	-0.022126
+C	-3.1981274246	-0.2587004433	 0.2966814437	-0.322708
+C	-2.3589412714	-0.060660479	 1.5331669476	-0.037375
+C	-1.2343452899	 0.9465842979	 1.5227940673	-0.096991
+O	-0.5793549368	 1.0642867295	 0.2508737027	-0.229318
+C	-0.3030033186	-0.0241275441	-0.5141770491	 0.399555
+O	 0.3588761842	 0.1194620333	-1.5058154275	-0.333564
+H	 0.4462592971	-1.5994710031	 1.6893767734	 0.122642
+H	-0.1036556475	-3.1284176003	 0.9926035505	 0.120994
+H	 1.1626861306	-2.1902677953	 0.1774196068	 0.141937
+H	-0.9917327763	-1.9336879987	-1.0073041036	 0.110998
+H	-2.5248063118	-2.2336934516	 1.0662408812	 0.089447
+H	-3.0045709297	 0.374627613	-0.5629769702	 0.135365
+H	-4.2413223778	-0.5203577491	 0.4313286131	 0.11718
+H	-2.8406517407	-0.1659339559	 2.5003988624	 0.094807
+H	-1.59603221	 1.9560165364	 1.7405210721	 0.127451
+H	-0.4853224156	 0.69052006	 2.2843977183	 0.115205
+19
+0 3184	2.4534903	1.7035536	1.0976796	2.1801	74.94	-0.22861	-0.01606	0.21255000000000002	1109.2429	0.157012	-422.562783	-422.554506	-422.553562	-422.595576	31.682
+C	-0.1865590324	-2.3929284989	-0.7703432762	-0.40502
+C	-0.7587440618	-1.2249678373	 0.0296251521	-0.101735
+C	-2.2709230456	-1.0421530016	-0.1373407456	-0.062209
+C	-3.1914884183	-1.0625190241	 1.0658503118	-0.322803
+C	-2.814890529	 0.2417621862	 0.4352270766	 0.096457
+O	-1.8674012232	 1.0141835358	 1.1205527486	-0.248702
+C	-0.772000561	 1.3403552321	 0.2817350612	-0.173232
+C	-0.094533368	 0.1058848768	-0.3257588728	 0.355769
+O	 0.878797569	 0.2140722205	-1.0321533635	-0.311155
+H	-0.6483220888	-3.3342084344	-0.4586196963	 0.114242
+H	-0.3685669558	-2.257021674	-1.8408545103	 0.125398
+H	 0.8940514075	-2.4664767296	-0.630796235	 0.132374
+H	-0.5497145214	-1.3779801888	 1.0978537458	 0.107487
+H	-2.6721992456	-1.3875071398	-1.0852317596	 0.096182
+H	-4.2066676808	-1.4181985175	 0.9299014868	 0.118002
+H	-2.7527200069	-1.2829701191	 2.0331185897	 0.125937
+H	-3.5627793331	 0.8175476177	-0.1091696694	 0.090233
+H	-1.0678344387	 2.0130075306	-0.5385198861	 0.121886
+H	-0.0420448461	 1.8749079752	 0.897308212	 0.140892
+19
+0 3185	2.1925624	1.6733095	1.2982127	3.6906	74.46	-0.2396	-0.01463	0.22497	1067.865	0.157509	-422.574663	-422.566268	-422.565323	-422.607913	31.421
+C	-0.4530226097	-1.8093251015	-1.4222767604	-0.419034
+C	-0.7197572704	-1.4363632066	 0.0500714931	-0.107788
+C	-2.2027170756	-1.3054181615	 0.3297188176	 0.050708
+O	-2.5431330419	-0.863948046	 1.6447199821	-0.257964
+C	-2.8464113058	 0.004627039	 0.5450708055	 0.035533
+C	-2.0685762382	 1.3062108786	 0.5073773321	-0.23702
+C	-0.6225377581	 1.1467950843	-0.0084372507	-0.307399
+C	 0.0367783187	-0.1560289845	 0.4203314856	 0.386799
+O	 1.1162833358	-0.1943676468	 0.9598339571	-0.316169
+H	-0.9367261718	-2.7599561115	-1.6678166381	 0.126684
+H	-0.8409533214	-1.0518317341	-2.1109985221	 0.121914
+H	 0.6196811468	-1.9194914591	-1.6010193843	 0.140486
+H	-0.3126166065	-2.2285346311	 0.6881813166	 0.109196
+H	-2.8172369269	-2.1298219537	-0.0383112718	 0.089769
+H	-3.9143866818	 0.0852994858	 0.3401648775	 0.096045
+H	-2.600359432	 2.0296971437	-0.1189828591	 0.108337
+H	-2.0616453444	 1.7165175302	 1.5231914254	 0.133193
+H	-0.6397084676	 1.1448674257	-1.1067227483	 0.121908
+H	 0.0124961508	 1.976166419	 0.3087387821	 0.124801
+19
+0 3186	2.4495443	1.671247	1.0856533	3.1181	74.57	-0.24572	-0.02392	0.2218	1110.6366	0.158057	-422.579107	-422.571152	-422.570207	-422.611451	31.374
+O	-0.1386365073	-2.4237155887	 0.4031719051	-0.44402
+C	-0.8543194097	-1.2934326875	-0.0022288942	 0.025744
+C	-2.2120050995	-1.1783459047	 0.6907320576	-0.034015
+C	-3.4914336711	-1.15328269	-0.1022887638	-0.308192
+C	-2.9451376248	 0.129398161	 0.4714417852	-0.015464
+C	-2.2114751333	 1.1372986851	-0.4069453935	-0.250477
+C	-0.7597606159	 1.3069344581	 0.0761043091	-0.299688
+C	-0.0483332262	-0.0214494132	 0.2848399444	 0.373138
+O	 1.0925402764	-0.1115806286	 0.6851800177	-0.338296
+H	 0.7332341682	-2.0847062701	 0.6673479004	 0.291339
+H	-1.0151356724	-1.3130166823	-1.0966949428	 0.088601
+H	-2.2217243485	-1.6288846886	 1.677208774	 0.101646
+H	-3.4239930968	-1.2998089905	-1.176919255	 0.112706
+H	-4.3789440327	-1.5811721284	 0.3503962061	 0.117154
+H	-3.4694651811	 0.5492603866	 1.3244976874	 0.090085
+H	-2.2118659219	 0.7974647817	-1.4489856688	 0.108793
+H	-2.7226759957	 2.1045674349	-0.404131086	 0.108676
+H	-0.1612506689	 1.9135622427	-0.6131887529	 0.133033
+H	-0.7301935788	 1.8309057427	 1.0397532701	 0.139237
+19
+0 3187	2.6554547	1.6981802	1.2157764	0.908	74.98	-0.23776	0.06745	0.30521	1046.2967	0.155853	-422.51366	-422.50504	-422.504096	-422.546101	33.678
+C	-1.0667898499	-0.8310839958	 3.1589527792	-0.518958
+C	-1.177247318	 0.3686488933	 2.2681625296	 0.2302
+C	-0.6985042669	 1.8058722909	 2.5033632925	-0.213142
+C	-0.9317053238	 2.0042089246	 0.9478488239	-0.110541
+C	-2.4403976339	 2.2489109276	 1.2324770098	-0.306909
+C	-2.172619797	 1.5158585581	 2.5450535209	 0.346691
+O	-2.9498064712	 1.5302961775	 3.6858459627	-0.460018
+C	-0.814625944	 0.4637817573	 0.7841191615	 0.105749
+O	 0.4822701234	-0.0063974726	 0.4824067491	-0.446639
+H	-1.2392027954	-0.5595441811	 4.2045873996	 0.129577
+H	-1.8013913326	-1.5988489451	 2.8849703244	 0.115394
+H	-0.0751609509	-1.2886148002	 3.0805022816	 0.124012
+H	-0.0416448097	 2.2519553328	 3.2360061931	 0.096543
+H	-0.3647518716	 2.6633394738	 0.2940706007	 0.077408
+H	-2.6583299664	 3.305498587	 1.4129155808	 0.106232
+H	-3.1645941487	 1.8338195868	 0.5205367775	 0.085263
+H	-3.6303761195	 0.852654849	 3.6019362152	 0.286945
+H	-1.4748405008	-0.0111295469	 0.0489558573	 0.07393
+H	 1.0816108669	 0.356567193	 1.1464103609	 0.278262
+19
+0 3188	2.7011493	1.6908059	1.2199555	1.8534	75.11	-0.23304	0.06759	0.30063	1050.8262	0.155751	-422.512081	-422.503402	-422.502458	-422.544553	33.769
+C	-3.3292625585	 3.3900477214	 0.104239168	-0.51275
+C	-2.7070900377	 2.0308123195	 0.2193828226	 0.268469
+C	-3.3043113406	 0.7683526078	 0.8468916612	-0.29237
+C	-2.14946085	 0.0044426886	 0.1506451658	-0.103634
+C	-1.9898380306	 1.2203581527	-0.852095695	-0.205377
+C	-1.1728482315	 1.8534176625	 0.2502762551	 0.292696
+O	-0.3064644694	 2.915029981	 0.0852900812	-0.460635
+C	-0.8640104107	 0.4964429885	 0.8853469154	 0.093958
+O	 0.3394256845	-0.0831402236	 0.4402732661	-0.446332
+H	-3.5170574887	 3.8261053857	 1.0934359935	 0.114831
+H	-2.6721534795	 4.0727064026	-0.4431309876	 0.130015
+H	-4.2889153153	 3.3456333543	-0.4223619678	 0.120928
+H	-3.3671048243	 0.7002483533	 1.9407528058	 0.084543
+H	-4.2815501053	 0.5331517917	 0.4127233658	 0.097624
+H	-2.2266730605	-1.0447849955	-0.1247154614	 0.077746
+H	-1.9650341237	 1.3203872459	-1.9276382919	 0.095352
+H	-0.2762999194	 3.418966406	 0.9069038949	 0.28861
+H	-0.8591075192	 0.4040442058	 1.9780563383	 0.072081
+H	 0.4850779705	 0.2071046618	-0.46825436	 0.284244
+19
+0 3189	2.294443	1.8228215	1.4045369	2.307	74.62	-0.22944	0.08228	0.31172	1016.7977	0.155719	-422.51157	-422.503019	-422.502075	-422.544124	33.012
+C	-2.2297078966	 2.4417120638	-1.2977587617	-0.507686
+C	-1.1919848075	 1.391885186	-1.5021109644	 0.418981
+O	 0.0365137127	 1.7698657969	-2.163505197	-0.34334
+C	 0.2856210314	 0.340521257	-2.3281781464	 0.001348
+C	-1.2152481945	 0.0049413385	-2.0650998883	-0.250391
+C	-0.8709719878	 0.2042460826	-0.5777591693	 0.187009
+C	-1.639108172	-0.1652181858	 0.6551422515	-0.517967
+C	 0.6088350529	-0.0890303375	-0.8755134945	 0.129283
+O	 1.6104969149	 0.615695431	-0.2032029118	-0.448347
+H	-3.1256212503	 2.0153781944	-0.8384792599	 0.130053
+H	-1.854084618	 3.2329249751	-0.6396522582	 0.133181
+H	-2.5152301735	 2.8958471455	-2.2514301827	 0.135295
+H	 0.9075513035	 0.1030842593	-3.1883595782	 0.085406
+H	-1.9622057327	-0.587094536	-2.5747920885	 0.09963
+H	-1.2395394986	 0.3581043766	 1.5308081038	 0.133977
+H	-2.7001990904	 0.0909572304	 0.56963921	 0.118439
+H	-1.5754589915	-1.2411723137	 0.853071555	 0.123775
+H	 0.8232584729	-1.1586803612	-0.7972869117	 0.087785
+H	 1.5062009351	 1.532920537	-0.4938022178	 0.283567
+19
+0 3190	2.7091372	1.7029592	1.2284914	1.562	74.9	-0.2173	0.05604	0.27333999999999997	1046.7449	0.15594	-422.509597	-422.50114	-422.500196	-422.541785	33.473
+C	-0.2853625999	-0.7743325747	-0.2678628737	-0.405832
+C	 1.0288305825	-0.0359672591	-0.4901826136	-0.063428
+C	 0.8632864958	 1.4673873057	-0.888158144	-0.066244
+C	 2.3161498527	 2.0182355667	-1.042966093	-0.29496
+C	 2.3910420591	 1.095640396	-2.2406883978	 0.363123
+O	 3.3968831837	 1.0598043959	-3.1799978539	-0.475151
+C	 0.8806676256	 1.0497444277	-2.4162781613	-0.228265
+C	 1.5955369142	-0.1782039689	-1.8991306642	 0.309544
+O	 1.8471151271	-1.3261015927	-2.6392861909	-0.476192
+H	-0.7506935136	-0.4707026059	 0.6759225093	 0.11029
+H	-0.9916758439	-0.5680833802	-1.0792177162	 0.121191
+H	-0.1286317791	-1.8574427846	-0.2327046331	 0.114404
+H	 1.7212675968	-0.2217251172	 0.3430262316	 0.055444
+H	 0.0876864487	 2.0693104625	-0.4209960427	 0.077156
+H	 2.3216854541	 3.0712471184	-1.3391846758	 0.105217
+H	 3.0103659272	 1.8616419102	-0.2084800925	 0.086431
+H	 3.3450537492	 0.1944197096	-3.6091864849	 0.279996
+H	 0.2135461671	 1.219037984	-3.2482867281	 0.098466
+H	 2.5896152928	-1.7874635534	-2.2294822751	 0.288809
+19
+0 3191	2.3254016	1.77789	1.4000746	0.8133	74.63	-0.21407	0.0645	0.27857	1024.7967	0.154899	-422.500519	-422.491738	-422.490794	-422.533209	33.72
+C	 1.0727078689	-0.7560909643	-0.7987073468	-0.429938
+C	 1.0728125676	 0.2097770957	 0.3759069514	-0.042917
+C	 1.9712144227	 1.4819682649	 0.3193677523	 0.042177
+O	 3.3086007675	 0.9710685848	 0.0408406617	-0.323375
+C	 3.3007582995	 0.4619335423	 1.3813220333	 0.394493
+C	 4.5572813905	-0.0501121226	 1.9942145041	-0.51709
+C	 2.2130061555	 1.3749095595	 1.8652805585	-0.247956
+C	 1.876890086	-0.0913132468	 1.6484670555	 0.275203
+O	 1.5997749954	-1.0047279388	 2.6448317685	-0.458374
+H	 0.6176135337	-1.7128014133	-0.5185079136	 0.10971
+H	 0.4992156692	-0.3561506468	-1.6421275339	 0.113909
+H	 2.0949345379	-0.9418846741	-1.1379968703	 0.131297
+H	 0.0580369061	 0.5053465933	 0.6648944667	 0.078966
+H	 1.7104223924	 2.3643791536	-0.2606659997	 0.083796
+H	 4.3477252672	-0.4350760376	 2.9964373551	 0.134335
+H	 4.9754632598	-0.8647858816	 1.3919236847	 0.128196
+H	 5.3137996265	 0.7364657539	 2.0734976934	 0.133689
+H	 2.1033867048	 2.0469566308	 2.7048281676	 0.103353
+H	 1.9540018587	-1.8617355129	 2.3819363115	 0.290525
+19
+0 3192	2.6919925	1.6967124	1.5101801	0.8398	73.9	-0.23471	0.06561	0.30032000000000003	972.9961	0.15798	-422.524508	-422.516944	-422.516	-422.555924	30.641
+C	-0.0000149049	-4.0040709177	 0.6282910158	-0.515066
+C	 0.2650839026	-2.7363139139	-0.139670107	 0.325876
+C	 1.5275028953	-2.4405802562	-0.9744275951	-0.293051
+C	 0.6770756502	-1.2996568971	-1.5921308559	-0.122976
+C	-0.6186257652	-2.1855763873	-1.2863633418	 0.068927
+O	-1.4874095341	-1.4742980359	-0.3889525984	-0.297843
+C	-0.2886044579	-1.3651097766	 0.435070342	-0.032648
+C	 0.518406237	-0.3394191201	-0.40026669	 0.148693
+O	 1.7691524511	 0.0612812228	 0.119588949	-0.439332
+H	 0.6439835344	-4.0732208654	 1.512628756	 0.119066
+H	-1.0413319269	-4.0415317726	 0.9654394004	 0.129412
+H	 0.189088471	-4.8887105577	 0.01067776	 0.116254
+H	 2.4574485163	-2.1648608956	-0.4775357789	 0.117687
+H	 1.7043281257	-3.2523516271	-1.6870666183	 0.092137
+H	 0.8912800413	-0.8763890701	-2.571150454	 0.070093
+H	-1.1083922036	-2.7538002581	-2.0764558138	 0.083173
+H	-0.4841914394	-1.1829111368	 1.492993063	 0.068281
+H	-0.1189367127	 0.5216853436	-0.6347644952	 0.075527
+H	 1.6046416898	 0.6548145419	 0.8585818622	 0.285791
+19
+0 3193	2.6415651	1.7924054	1.5374706	2.3829	73.73	-0.23915	0.07817	0.31732	956.7138	0.158374	-422.534186	-422.526876	-422.525931	-422.565357	30.135
+C	 2.1594052188	-3.9839081019	-1.1064967347	-0.513187
+C	 1.3087123901	-2.7554947539	-1.018033802	 0.471382
+O	 1.7349233083	-1.6315182546	-1.8291743918	-0.350752
+C	 0.3924255144	-1.1120559999	-1.5589003143	 0.015296
+C	-0.1783171348	-2.5665487272	-1.4213827144	-0.119594
+C	-0.6126386733	-2.7966203818	 0.0373270449	-0.261274
+C	 0.7692008025	-2.1859316563	 0.3829596686	-0.172277
+C	 0.5692418525	-0.7175262454	-0.0709053908	 0.191767
+O	 1.6497433421	 0.1505392484	 0.1357678644	-0.457406
+H	 1.7143190764	-4.8009794607	-0.5304768037	 0.128356
+H	 2.2702286859	-4.3079919442	-2.1453953405	 0.13143
+H	 3.1566622576	-3.7875915257	-0.6980217999	 0.133048
+H	 0.0551160593	-0.3760156536	-2.2866765778	 0.083862
+H	-0.633874878	-3.0327077191	-2.2939746908	 0.077744
+H	-1.4996457239	-2.2849001096	 0.4214075141	 0.099133
+H	-0.6840024239	-3.8642274342	 0.2606998518	 0.104494
+H	 1.2762783007	-2.3567895737	 1.3308680384	 0.072088
+H	-0.3147693344	-0.2590880362	 0.3798635953	 0.082943
+H	 2.3351363396	-0.1558089204	-0.4760147868	 0.282946
+19
+0 3194	3.2023484	1.5947985	1.3793761	0.577	73.94	-0.24008	0.07835	0.31843	995.8929	0.157775	-422.526422	-422.518889	-422.517945	-422.557773	30.711
+C	-0.2515395525	-0.2108069344	-0.2105211956	-0.424497
+C	 1.2677636551	-0.1050752174	-0.1360852249	 0.054369
+C	 1.8650460325	 1.3190817627	 0.0026988252	-0.104112
+C	 3.3902330059	 1.0352525643	-0.0996357873	-0.29932
+C	 3.1885312721	 0.3582096262	 1.253235293	 0.415476
+O	 4.268146749	 0.0208709	 2.0448998914	-0.481242
+C	 2.0287517269	 1.3308597725	 1.5987214692	 0.019591
+O	 1.2290188508	 0.2883836747	 2.1717172257	-0.296692
+C	 1.8911296657	-0.5739334869	 1.1957698473	-0.039126
+H	-0.7168831668	 0.2642426378	 0.6554468696	 0.136491
+H	-0.6272301914	 0.2738871756	-1.1178980734	 0.109653
+H	-0.5715658256	-1.2585087987	-0.236535976	 0.110187
+H	 1.7234329297	-0.6231825452	-0.9871202526	 0.071911
+H	 1.3974174243	 2.1385183439	-0.5384849186	 0.070964
+H	 3.7458725652	 0.4513827565	-0.9526823295	 0.09964
+H	 4.0016680109	 1.9341820296	 0.0197751823	 0.10703
+H	 3.9325539092	-0.2622277377	 2.9040115921	 0.289665
+H	 2.0731487182	 2.2648577463	 2.156576079	 0.085541
+H	 1.8918319908	-1.6293659299	 1.4706443932	 0.074471
+19
+0 3195	3.2808322	1.5935407	1.3930039	0.2394	74.13	-0.23841	0.06977	0.30818	1004.2469	0.156937	-422.520115	-422.512375	-422.511431	-422.551805	30.695
+C	-0.2031432808	-0.2719879279	-0.3264873655	-0.426189
+C	 1.2939552522	-0.0593547892	-0.1350435428	 0.039797
+C	 1.78994251	 1.3888499932	 0.0848070945	 0.009991
+O	 3.2359714702	 1.1989770733	 0.0870154523	-0.323637
+C	 3.0490928372	 0.5791260038	 1.3650278884	 0.423369
+C	 4.2670088021	 0.3288121785	 2.1958493684	-0.521622
+C	 1.7960273594	 1.4078967592	 1.681731272	 0.009613
+O	 1.0624726361	 0.2851115701	 2.1690225079	-0.291532
+C	 1.8606335378	-0.5001344491	 1.2323399629	-0.025436
+H	-0.7668989902	 0.1247365428	 0.5202570368	 0.136926
+H	-0.5500538631	 0.223334734	-1.2394924598	 0.112881
+H	-0.4379003808	-1.3376696021	-0.4192907342	 0.115811
+H	 1.8681926533	-0.4877316649	-0.9617035158	 0.084546
+H	 1.4472278708	 2.2014902234	-0.5529326871	 0.081225
+H	 3.9734040897	-0.0505148214	 3.1790434131	 0.137715
+H	 4.9145070758	-0.4140762761	 1.7184323069	 0.132807
+H	 4.8417642094	 1.2496914059	 2.3298328815	 0.13262
+H	 1.7110046663	 2.3306120978	 2.2531261629	 0.092383
+H	 1.9395215648	-1.5534864514	 1.4975535075	 0.078734
+19
+0 3196	3.1029175	1.5986881	1.3872892	2.3412	74.03	-0.24669	0.07276	0.31945	980.6444	0.158391	-422.535067	-422.527572	-422.526628	-422.566325	30.946
+O	 0.2943294888	 0.1883111347	 0.1277022294	-0.457892
+C	-0.3689419567	 0.8417850482	 1.1860138645	 0.190728
+C	-1.4796479347	 0.0509014827	 1.9229430375	-0.108646
+C	-2.0874434793	 1.1776194679	 2.8067427329	-0.3123
+C	-0.7321868245	 1.0758939219	 3.5187577306	 0.433388
+O	-0.4234553767	 1.6605710586	 4.7378767783	-0.486138
+C	-0.6583403821	-0.460772609	 3.1840265112	-0.103683
+C	 0.8487469864	-0.3043355339	 2.9321291124	-0.269777
+C	 0.4558202448	 1.1223876017	 2.4647045345	-0.109853
+H	 0.6418121343	-0.6484637685	 0.4507050878	 0.280334
+H	-0.7630086348	 1.7593522427	 0.7412324077	 0.084315
+H	-2.1061455779	-0.6130816535	 1.3302051525	 0.07076
+H	-2.3964548298	 2.1106421188	 2.324450764	 0.096389
+H	-2.8913476531	 0.8107406593	 3.4548848687	 0.087502
+H	-1.1203221517	 1.4389385102	 5.3652018565	 0.279879
+H	-1.1062134479	-1.2384701103	 3.8025253275	 0.064062
+H	 1.3915413395	-0.2753949131	 3.8795674088	 0.115378
+H	 1.383338596	-0.968295616	 2.2433053701	 0.074258
+H	 1.1693069396	 1.9449233277	 2.4559484549	 0.071295
+19
+0 3197	3.9065999	1.3832624	1.2290865	0.4693	74.69	-0.23158	0.06332	0.2949	1059.5513	0.156759	-422.517653	-422.50978	-422.508836	-422.549422	31.291
+C	-4.2198499557	 3.1265892872	-0.0674481067	-0.486498
+C	-3.1515705177	 2.1103966262	 0.2226761689	 0.445393
+C	-3.5080656629	 0.7112961782	 0.7904486123	-0.28322
+C	-2.2759889313	 0.1115997155	 0.0646634227	-0.061555
+C	-0.9447391827	 0.4709528502	 0.7643734112	 0.101694
+O	 0.0901558283	-0.2401900552	 0.1116912919	-0.435794
+C	-1.079290564	 1.9195865259	 0.2166989844	 0.060627
+O	-2.0394045176	 2.6814870566	 0.9725864486	-0.341897
+C	-2.1619367431	 1.4368904858	-0.7830433197	-0.140715
+H	-4.6706009348	 3.4784601317	 0.8676457251	 0.128725
+H	-3.8001154417	 3.9920284071	-0.5886245142	 0.124837
+H	-5.0116671178	 2.6932081269	-0.6863730857	 0.116819
+H	-3.5676536957	 0.6226878976	 1.8791449307	 0.099644
+H	-4.4358343088	 0.3382089108	 0.3444038498	 0.101396
+H	-2.3396012953	-0.8932364757	-0.3498105181	 0.078769
+H	-0.9003068498	 0.3642432231	 1.8574467128	 0.065848
+H	 0.9310597758	 0.140392656	 0.3875583433	 0.283782
+H	-0.1689610424	 2.4823779151	-0.0099770859	 0.068327
+H	-2.1588017828	 1.535477067	-1.8648815914	 0.073818
+19
+0 3198	3.8175808	1.35141	1.193554	2.2623	74.51	-0.24054	0.0673	0.30784	1061.8989	0.157392	-422.524705	-422.516967	-422.516022	-422.556263	31.444
+O	 0.2056574249	-0.1126703023	 0.5397073872	-0.443916
+C	-0.9191737037	 0.7383165639	 0.6604367274	 0.13874
+C	-2.1900201138	-0.026690063	 1.1168048596	-0.079019
+C	-3.399679515	 0.9031856247	 1.3906912935	-0.314385
+C	-3.6268241091	 1.0591013647	-0.1314429913	 0.429365
+O	-4.9252758081	 1.2006624258	-0.6168536865	-0.483028
+C	-2.6198963854	 2.0093794221	-0.803295108	-0.283374
+C	-1.5281060766	 0.9127578056	-0.7459242772	-0.037941
+C	-2.6275810551	-0.1505443198	-0.3865155748	-0.124153
+H	 0.4346894259	-0.4274369045	 1.4206105721	 0.279018
+H	-0.6656407102	 1.6559029762	 1.2147043483	 0.05383
+H	-2.0325642866	-0.8701786604	 1.7912852641	 0.059201
+H	-4.2214519336	 0.327374666	 1.8338326009	 0.088225
+H	-3.2459362316	 1.808365603	 1.9885300861	 0.09454
+H	-5.4979123259	 0.5875081293	-0.1437260546	 0.274649
+H	-2.934789311	 2.1803575732	-1.8361878032	 0.114093
+H	-2.420693937	 2.9735926192	-0.3240002584	 0.090762
+H	-0.8264837275	 0.8322664189	-1.5748204294	 0.078071
+H	-2.8456517107	-1.0667886528	-0.9286976158	 0.065324
+19
+0 3199	3.4232332	1.4041073	1.3772575	2.2426	74.17	-0.2381	0.06921	0.30730999999999997	1024.4974	0.157556	-422.528991	-422.521376	-422.520431	-422.560482	30.822
+C	-3.5286850401	 1.898941645	 2.5488695825	-0.504239
+C	-2.9028123774	 1.2143703827	 1.3694911901	 0.408948
+C	-2.6988439395	-0.3218102715	 1.3495744617	-0.254288
+C	-1.8189897796	-0.2970566754	 0.0876804792	-0.107992
+C	-0.586585247	 0.4846773565	 0.5920435739	 0.122344
+O	 0.3614199497	 0.6216885979	-0.4503272811	-0.446097
+C	-1.5591392177	 1.6784067689	 0.6660820553	-0.165167
+C	-2.3728242953	 1.0918883211	-0.5055953215	 0.117396
+O	-3.6285587587	 1.3911422516	 0.1066432596	-0.327328
+H	-4.5219019584	 1.4820953815	 2.7472430315	 0.131175
+H	-2.9134954361	 1.7567178186	 3.4431141831	 0.120799
+H	-3.6371892976	 2.9718147253	 2.3670931332	 0.128156
+H	-2.1786865844	-0.7244756491	 2.2239007141	 0.093808
+H	-3.6578838908	-0.8286338153	 1.2250177008	 0.106566
+H	-1.6994012398	-1.1989255589	-0.508790682	 0.075021
+H	-0.1149080109	 0.125965216	 1.5176070309	 0.059368
+H	 0.9623138431	 1.3364934839	-0.2164163839	 0.282514
+H	-1.2596127368	 2.7232421719	 0.7512581754	 0.066951
+H	-2.2881172527	 1.3277392191	-1.562507283	 0.092066
+19
+0 3200	2.6672034	1.8664586	1.4755312	1.9751	74.08	-0.23856	0.07314	0.3117	957.2252	0.158006	-422.534186	-422.526789	-422.525844	-422.565485	30.343
+C	-1.280040246	 1.5981370389	-2.7241652714	-0.500718
+C	-1.9112592122	 1.2577864764	-1.4052145665	 0.411131
+C	-3.3909755309	 1.5264354805	-1.0367165843	-0.271798
+C	-2.8850233879	 1.2638352619	 0.3879866292	-0.076083
+C	-2.0448789959	-0.0705886467	 0.3155528641	 0.014814
+O	-1.8022386549	-0.1604758906	-1.1024332967	-0.322498
+C	-0.7932754046	 0.7191895017	 0.7690891452	 0.179734
+O	 0.4622032267	 0.2379169703	 0.395212808	-0.452338
+C	-1.4808822523	 1.8644639195	 0.0010132934	-0.169139
+H	-1.7374961793	 1.0145731019	-3.529790043	 0.13144
+H	-1.4138074906	 2.6599806993	-2.949179346	 0.122973
+H	-0.2069393514	 1.3836683175	-2.7104873515	 0.126971
+H	-3.6684991516	 2.5757968735	-1.1684727306	 0.101378
+H	-4.1400185862	 0.865775612	-1.4814674426	 0.100278
+H	-3.4278328834	 1.4994906347	 1.3003179739	 0.077826
+H	-2.3526342624	-1.0319411162	 0.7236294648	 0.079849
+H	-0.7863516186	 0.9186221846	 1.8443119356	 0.087615
+H	 0.3269209281	-0.1772812736	-0.467418688	 0.285629
+H	-1.2150280165	 2.9177386441	 0.0652564864	 0.072937
+19
+0 3201	3.2485911	1.4129227	1.3525831	0.6352	74.11	-0.24363	0.06369	0.30732000000000004	1020.5313	0.158181	-422.533696	-422.52615	-422.525206	-422.565038	31.037
+O	 0.4438671546	 0.5128518153	 0.2569339962	-0.455765
+C	-0.8425272437	 0.5923974085	 0.8316734329	 0.168708
+C	-1.9879819951	-0.1618999704	 0.0913865023	-0.082251
+C	-3.1657362032	 0.0768392898	 1.0560121955	-0.286065
+C	-3.1881029047	 1.6113833026	 0.8540310069	 0.411253
+O	-3.874277923	 2.4131119008	 1.7569175059	-0.487029
+C	-3.5595124841	 1.7225150732	-0.6368164841	-0.272086
+C	-2.1618248874	 1.1193714494	-0.8464866671	-0.065916
+C	-1.6534559743	 1.8409802558	 0.4499160035	-0.152164
+H	 0.3976485271	 0.8586741019	-0.6408952312	 0.280559
+H	-0.7017606936	 0.3492569732	 1.8903507247	 0.071047
+H	-1.8316907821	-1.16283253	-0.3100983229	 0.067517
+H	-4.1093488563	-0.3912296928	 0.7621382163	 0.099713
+H	-2.9300378664	-0.2273349396	 2.0827473597	 0.08634
+H	-3.6321759086	 2.1478510341	 2.6506897798	 0.278772
+H	-4.4508995019	 1.1906920275	-0.9842140242	 0.092378
+H	-3.5870715881	 2.7635626854	-0.9710802108	 0.105218
+H	-1.6490553619	 1.1408476415	-1.8061355362	 0.0687
+H	-1.273524517	 2.8621725036	 0.4752163427	 0.071071
+19
+0 3202	4.1446467	1.191105	1.0787199	0.4529	74.63	-0.2257	0.07351	0.29921000000000003	1163.1202	0.156242	-422.521822	-422.513572	-422.512628	-422.554	32.555
+C	-3.1072798354	 2.7941083972	 4.1450338249	-0.461181
+C	-2.590998737	 2.0868535995	 2.923644196	 0.434355
+C	-3.47065603	 1.7326925691	 1.7514119603	-0.356061
+C	-2.8045804213	 0.6337426297	 2.5668547279	-0.124173
+C	-1.452549034	 0.0937707496	 2.1653933849	-0.092308
+C	-0.7518810092	 0.6189266261	 0.9370531489	 0.025855
+O	 0.2452670159	-0.2309384386	 0.4479422369	-0.425673
+C	-0.5100844404	 1.2734421309	 2.2776273937	 0.023812
+O	-1.2435955187	 2.421659277	 2.6229976662	-0.295191
+H	-4.1416558806	 2.5035231905	 4.3490816412	 0.116435
+H	-2.4974609161	 2.5536089169	 5.0219020182	 0.122788
+H	-3.0835368396	 3.8796668817	 4.0021829813	 0.12893
+H	-4.5415871362	 1.8488115518	 1.8856328089	 0.109644
+H	-3.1264431272	 1.9496520007	 0.74771442	 0.118909
+H	-3.4322526752	-0.0089098363	 3.1729323298	 0.092138
+H	-1.1633074061	-0.891615026	 2.5089727615	 0.103369
+H	-1.3227638018	 1.1580644095	 0.1829700635	 0.090627
+H	 0.9521869047	 0.3181430756	 0.0911516401	 0.288473
+H	 0.4778183781	 1.2224167652	 2.725512396	 0.099253
+19
+0 3203	4.2498306	1.1684185	1.0617825	1.5582	74.47	-0.23923	0.07565	0.31488	1173.792	0.156631	-422.53968	-422.531464	-422.53052	-422.571828	32.331
+C	-3.8166799892	 2.6854586699	 3.5716215913	-0.479954
+C	-2.7655075818	 2.0317069563	 2.7165096529	 0.406915
+C	-2.988905693	 0.62196975	 2.1613284102	-0.309845
+C	-1.6001218218	 0.0380192403	 1.8922661839	-0.07098
+C	-0.6870744982	 0.6741492916	 0.894203942	 0.09345
+O	 0.259190151	-0.1952202218	 0.3423971766	-0.438163
+C	-0.5510871009	 1.0464230587	 2.359149367	-0.127239
+C	-1.3104244983	 2.2652655897	 2.816621824	-0.043523
+O	-2.0918037279	 2.8994146333	 1.7840096071	-0.296366
+H	-4.0347333846	 2.0786298248	 4.4567809674	 0.120988
+H	-3.4839796711	 3.6744851335	 3.8964630357	 0.129386
+H	-4.7508906078	 2.8102276975	 3.0125802024	 0.127613
+H	-3.5049457982	 0.0158353652	 2.9144508938	 0.104835
+H	-3.626520994	 0.6456382939	 1.2704907351	 0.114193
+H	-1.43765412	-1.0208562235	 2.0585877952	 0.097822
+H	-1.0868358971	 1.431861661	 0.2254892067	 0.109332
+H	 1.0409996416	 0.3223159495	 0.1227361823	 0.285098
+H	 0.3367666428	 0.7383281814	 2.8979316618	 0.086721
+H	-0.8694342715	 2.9459401286	 3.5406942147	 0.089718
+19
+0 3204	4.0720534	1.1397439	1.0348641	2.3649	73.98	-0.22531	0.07072	0.29603	1176.9066	0.156747	-422.531366	-422.522978	-422.522033	-422.563841	32.968
+O	 0.2939095539	 0.060443116	 0.2557652458	-0.44076
+C	-0.7382857838	 0.7499218239	 0.9022577467	 0.13906
+C	-1.5312001536	 0.0816663311	 1.9918981623	-0.107603
+C	-2.9540283733	 0.530174903	 2.325878199	-0.316429
+C	-2.8634659507	 1.9747213041	 2.8480846545	 0.407645
+O	-3.7617033097	 2.3650900143	 3.8423390078	-0.46487
+C	-2.4242219839	 3.0626942929	 1.9240361661	-0.328702
+C	-1.4001881719	 2.3931208887	 2.8324661801	-0.118501
+C	-0.5720386624	 1.2379238212	 2.317658347	-0.119097
+H	 0.7592835692	-0.4770691776	 0.9046516997	 0.281537
+H	-1.2440048875	 1.3764619983	 0.1761396474	 0.10284
+H	-1.2563544072	-0.9433996242	 2.224058166	 0.079445
+H	-3.6460256486	 0.4381223746	 1.481260162	 0.111873
+H	-3.3557399498	-0.0966501021	 3.1310336894	 0.094863
+H	-3.5952303132	 1.8245490472	 4.6231448757	 0.277529
+H	-2.4068744105	 2.9056810902	 0.8517776775	 0.116095
+H	-2.7254747542	 4.0613606251	 2.2208237332	 0.120071
+H	-0.9898967416	 2.9958644363	 3.6345588327	 0.087048
+H	 0.3831375988	 1.0519772471	 2.799331577	 0.077957
+19
+0 3205	2.933235	1.3474902	1.161529	1.3245	75.89	-0.24292	0.06789	0.31081000000000003	1123.3994	0.155311	-422.504637	-422.495879	-422.494935	-422.537557	33.461
+C	-1.7049640992	-1.0607399453	-0.8921201511	-0.52438
+C	-1.9777572813	-0.0458835269	 0.178484361	 0.234705
+C	-0.8769841192	 0.7790658034	 0.8307226691	 0.048711
+O	 0.339535762	 0.8472929322	 0.1446317856	-0.434665
+C	-1.9919726303	 1.5043588832	 0.1526756874	-0.128102
+C	-3.2130213141	 1.5431627264	 1.0803941248	-0.346881
+C	-3.184895006	 0.0011702083	 1.0856747869	 0.398744
+C	-4.3083855432	-0.9295842549	 1.1735337671	-0.269536
+O	-3.3524445337	-0.8159465198	 2.2384184775	-0.280938
+H	-1.5685373697	-2.0600338614	-0.4599005704	 0.122252
+H	-2.5280292934	-1.1206355039	-1.6122249879	 0.120638
+H	-0.7948279182	-0.801819901	-1.439594803	 0.130651
+H	-0.7898754853	 0.8115376648	 1.9193116467	 0.090511
+H	 0.8385233849	 0.0477341338	 0.3439398689	 0.289842
+H	-1.797687135	 2.1620480933	-0.6847073404	 0.100102
+H	-3.0674659119	 2.0269634918	 2.0517088984	 0.110884
+H	-4.1123352546	 1.9469606248	 0.608631152	 0.112383
+H	-5.3060814384	-0.5509556896	 1.3958571326	 0.112437
+H	-4.2840858533	-1.8707926095	 0.6249396549	 0.112641
+19
+0 3206	3.0489731	1.3408418	1.1515749	2.5237	75.83	-0.22138	0.06097	0.28235	1129.3513	0.154745	-422.490516	-422.481701	-422.480757	-422.523395	33.893
+C	-1.8057687585	-1.0396746835	-0.820411572	-0.514078
+C	-1.9629567394	-0.0303842497	 0.2754974462	 0.130543
+C	-0.8203097177	 0.8358621768	 0.8213352492	 0.005893
+O	 0.2932127002	 0.9797905703	-0.0091799088	-0.428814
+C	-2.0556729785	 1.4845952622	 0.2832662954	 0.029531
+O	-3.08311777	 1.4961040193	 1.2783357779	-0.323695
+C	-3.0905357343	 0.0551682157	 1.2784649052	 0.43096
+C	-3.4031392451	-0.7324719537	 2.5062266282	-0.340243
+C	-4.3724226501	-0.7047925839	 1.3284090191	-0.346027
+H	-1.5854972382	-2.037199885	-0.4191663263	 0.116079
+H	-2.7141819843	-1.117947181	-1.4265130968	 0.129363
+H	-0.9826974994	-0.7558068509	-1.481858291	 0.130907
+H	-0.6291695649	 0.8783502784	 1.8954035921	 0.091095
+H	 0.8218855204	 0.1767105534	 0.0520853367	 0.291006
+H	-2.0727830328	 2.2327918067	-0.5004894729	 0.113113
+H	-2.8447494454	-1.6427974877	 2.6998768298	 0.114048
+H	-3.6825713774	-0.1729804907	 3.3922474988	 0.127261
+H	-4.4727184556	-1.5964068676	 0.7179355105	 0.115596
+H	-5.2817196789	-0.1246617792	 1.4423905988	 0.127463
+19
+0 3207	3.0217876	1.3436309	1.1612504	1.1794	76.19	-0.24415	0.06465	0.3088	1134.4081	0.155205	-422.506031	-422.497178	-422.496234	-422.539064	33.599
+C	 1.5347917812	 0.2227308969	-1.5703548708	-0.436683
+C	 1.1214980583	 0.6231345322	-0.1693250208	-0.076977
+C	 1.9761478818	 1.6330605471	 0.5607307248	-0.125581
+C	 1.3018345139	 2.0157057818	 1.8878542423	-0.350321
+C	 1.4011378389	 0.5310537055	 2.3010725044	 0.403658
+C	 1.712908696	-0.0353772191	 3.608708835	-0.269163
+O	 0.4217801442	-0.2217606013	 3.0017766118	-0.286332
+C	 1.9977467266	 0.1512388549	 0.9695529746	 0.303475
+O	 3.0066862763	-0.7813521856	 0.8115102805	-0.460925
+H	 1.1465569828	-0.7685928467	-1.8316128573	 0.114304
+H	 1.1452277937	 0.9321945674	-2.3074261799	 0.122969
+H	 2.6231197673	 0.1912331147	-1.6703275161	 0.13082
+H	 0.0439193965	 0.6602493269	-0.0093413523	 0.088037
+H	 2.7485987174	 2.1990820788	 0.0564224585	 0.096492
+H	 1.8977615912	 2.6758492521	 2.5226690442	 0.111472
+H	 0.2856962292	 2.4129018521	 1.8038482945	 0.109921
+H	 2.33184657	-0.9290148561	 3.6712713407	 0.119313
+H	 1.728456074	 0.6086198557	 4.487489404	 0.112682
+H	 2.6189401808	-1.5959693373	 0.473058292	 0.292838
+19
+0 3208	3.1367841	1.3371703	1.1553199	2.2509	76.44	-0.22103	0.06122	0.28225	1139.8937	0.154613	-422.490672	-422.481748	-422.480804	-422.523715	34.034
+C	 1.7366525672	-0.6686046403	-1.1707203702	-0.433399
+C	 1.4306758524	-0.0601358405	 0.1816272343	-0.10834
+C	 2.0710317712	 1.2696294069	 0.5037815278	 0.015385
+O	 1.5564548867	 1.8023442918	 1.7313547797	-0.318662
+C	 2.0973869818	 0.6778542776	 2.4508831314	 0.412423
+C	 2.8381555176	 0.8434595908	 3.7303407551	-0.340667
+C	 1.484987817	 0.1378649691	 3.6975690642	-0.346058
+C	 2.5791836827	 0.0199163867	 1.1779190971	 0.220166
+O	 3.779382285	-0.6492864259	 1.0488407439	-0.450758
+H	 1.6650154919	-1.76207008	-1.1435335955	 0.114162
+H	 1.0304208267	-0.3104900932	-1.9265024742	 0.125621
+H	 2.7475942378	-0.4144524734	-1.502602285	 0.130885
+H	 0.4261685451	-0.2311230714	 0.5654854234	 0.089965
+H	 2.4973936095	 1.9559545212	-0.2178436816	 0.11127
+H	 3.7334967082	 0.2474748019	 3.8720599288	 0.123481
+H	 2.8727377151	 1.8392067199	 4.1583270834	 0.125832
+H	 1.4503121937	-0.9377051062	 3.8410930942	 0.110528
+H	 0.6361928269	 0.6770701904	 4.1038979863	 0.126121
+H	 3.5984564836	-1.5947121056	 1.006009847	 0.292043
+19
+0 3209	3.0493233	1.3601475	1.1650631	2.1106	76.34	-0.21564	0.06242	0.27806	1115.5524	0.155787	-422.506215	-422.49762	-422.496676	-422.538811	33.689
+O	 0.3386585752	-0.1308075329	 0.3073502103	-0.4504
+C	-0.7947649842	 0.5675815301	 0.7611337118	 0.007797
+C	-2.1295139386	-0.1255018955	 0.5688664642	-0.20571
+C	-3.2560579569	 0.8051600894	 1.0422229201	-0.332289
+C	-2.7726558251	 1.8729303181	 0.0325447239	 0.318563
+C	-3.6353397118	 2.6683485794	-0.8966467562	-0.327033
+C	-2.773916919	 3.3715657195	 0.1309845401	-0.335596
+C	-1.6442366767	 0.9799263811	-0.4029083633	 0.370189
+O	-1.1652740994	 0.9568433332	-1.6885157476	-0.469944
+H	 0.43748392	-0.9367962821	 0.823919521	 0.294446
+H	-0.608546431	 1.218425813	 1.6197975503	 0.082493
+H	-2.1916863705	-1.2018677683	 0.4546226032	 0.085388
+H	-4.2519858563	 0.4221987592	 0.8057340128	 0.11021
+H	-3.2257315463	 1.0919148179	 2.1000150546	 0.094722
+H	-3.3313310336	 2.7214110681	-1.9363903161	 0.129373
+H	-4.7092067567	 2.6481599192	-0.7385585546	 0.107638
+H	-1.897766639	 3.9080170829	-0.2190649524	 0.116297
+H	-3.2672436242	 3.8256890493	 0.9843775037	 0.108942
+H	-0.2994627961	 0.5267241184	-1.6462445456	 0.294916
+19
+0 3210	3.9817566	1.1272441	1.0981251	0.4582	74.89	-0.21364	0.0749	0.28854	1175.1912	0.15685	-422.522419	-422.514374	-422.51343	-422.554721	31.839
+O	 0.3718683557	-0.0666007681	 0.3700312916	-0.427835
+C	-0.7179863206	 0.7000046807	 0.7948747938	 0.036657
+C	-1.5853216463	 0.0237445371	 1.8310122279	-0.09783
+C	-3.0148819545	 0.5182954009	 1.9798605884	-0.317656
+C	-2.8416670373	 2.0338294858	 2.1004285573	 0.442984
+C	-3.4349764851	 3.0003106371	 1.1088366645	-0.315768
+C	-3.9001745596	 2.9788076205	 2.5570646814	-0.343715
+O	-1.5246173403	 2.30008241	 2.5563649666	-0.289855
+C	-0.7219212756	 1.1970858308	 2.2222479541	 0.034542
+H	 1.1084120737	 0.532129416	 0.2054863361	 0.287805
+H	-1.1978607413	 1.3107563635	 0.0296532182	 0.095107
+H	-1.3253467374	-0.9889711664	 2.1134373105	 0.102463
+H	-3.665799334	 0.2521970839	 1.1416548848	 0.109298
+H	-3.4513714256	 0.0988836141	 2.8935327215	 0.111212
+H	-2.812189242	 3.8338887858	 0.804053117	 0.119457
+H	-4.1032476603	 2.6190493267	 0.3429961756	 0.109394
+H	-3.5836386054	 3.7978113261	 3.1930230824	 0.125957
+H	-4.8836927546	 2.5805588592	 2.7832299237	 0.114867
+H	 0.1702976305	 1.1175096864	 2.8322483144	 0.102915
+19
+0 3211	3.9371632	1.077944	1.0500914	1.8329	74.43	-0.2521	0.07114	0.32323999999999997	1199.0842	0.157338	-422.533922	-422.525927	-422.524983	-422.56625	31.435
+O	 0.3709772183	 0.3242373663	 0.7990082537	-0.434173
+C	-0.8341474992	 0.8697059464	 0.3458530925	 0.093351
+C	-2.1261553764	 0.2498839955	 0.8272018191	-0.099137
+C	-3.3924877513	 1.0825629039	 0.7272840692	-0.315264
+C	-3.383763438	 1.6152652108	-0.7091101725	 0.458444
+C	-3.5211537463	 3.0442225471	-1.0256208454	-0.251622
+O	-4.5986633713	 2.127157869	-1.2447237324	-0.289621
+C	-2.5580460979	 0.6542645888	-1.5693106737	-0.317658
+C	-1.6114298162	-0.011209122	-0.5865388361	-0.059694
+H	 0.4958865364	 0.599178376	 1.7135105892	 0.285318
+H	-0.8086203056	 1.944429107	 0.1533840494	 0.082097
+H	-2.048396932	-0.5198804701	 1.5866832171	 0.087827
+H	-4.274376256	 0.4447656328	 0.8635671757	 0.116551
+H	-3.4560011737	 1.8898294279	 1.4646346285	 0.100794
+H	-3.6789446013	 3.7656238899	-0.2239354662	 0.110386
+H	-3.0607719293	 3.4469004994	-1.9276590575	 0.112237
+H	-3.2281899761	-0.0937933811	-2.0099070189	 0.116393
+H	-2.0529080786	 1.168346913	-2.3933765243	 0.106043
+H	-1.1581087453	-0.9627638406	-0.8371318074	 0.097725
+19
+0 3212	2.7678982	1.7459751	1.3615725	1.04	74.94	-0.24521	0.0552	0.30041	1000.2897	0.15769	-422.47445	-422.467068	-422.466124	-422.50582	29.835
+C	-0.0834921711	-0.0485918764	-0.0116362563	-0.42232
+C	 1.4352458217	 0.0829721103	 0.0133044395	-0.061627
+C	 2.1969757581	-0.6949674319	-1.1403570283	 0.049894
+C	 3.6485919407	-0.5017402597	-0.7022048396	-0.259433
+C	 3.1203271385	-1.4920933713	 0.347029998	 0.374591
+C	 3.8544169507	-1.684067942	 1.6837909169	-0.211809
+O	 3.1843757447	-0.4501563322	 2.1231541619	-0.318214
+C	 2.111504755	-0.7334194977	 1.1495220411	 0.135965
+O	 2.3103804463	-2.120035855	-0.7007274286	-0.369879
+H	-0.536459794	 0.4133537846	 0.8714567522	 0.122252
+H	-0.507313262	 0.4344887375	-0.8982451706	 0.113785
+H	-0.3766509166	-1.1033171107	-0.0314204839	 0.131712
+H	 1.7331448298	 1.1349995828	-0.0171519496	 0.094262
+H	 1.8371401991	-0.603152104	-2.1648085545	 0.085767
+H	 4.3589432667	-0.9883247031	-1.3718608856	 0.109553
+H	 3.9894168506	 0.4837988733	-0.3800731331	 0.109934
+H	 3.5303366725	-2.5458402597	 2.2796493334	 0.116248
+H	 4.9429944091	-1.5867058975	 1.694544855	 0.117893
+H	 1.3766615503	-1.3811885276	 1.6433411421	 0.081425
+19
+0 3213	2.7869073	1.6808662	1.3321222	0.7442	74.44	-0.24745	0.06647	0.31392	998.4103	0.158817	-422.498231	-422.491035	-422.490091	-422.529374	29.718
+O	 0.5443725181	-0.0725431254	 0.5711915456	-0.443297
+C	-0.7362376753	 0.4733237291	 0.787586432	 0.106543
+C	-1.3661810891	 0.225041746	 2.2062146959	-0.077242
+C	-0.8572437564	 1.3923961208	 3.1654432869	-0.331025
+C	-1.6190662541	 2.2096409126	 2.1043044456	 0.471555
+C	-2.6602854985	 1.0626746908	 2.053168885	-0.290075
+O	-1.9607322035	 3.5572397521	 1.7580276375	-0.358706
+C	-1.6438132441	 3.224734923	 0.3596018726	-0.176569
+C	-0.7846624823	 2.0274956786	 0.8544621868	-0.06041
+H	 1.1412540371	 0.2839003009	 1.2380982011	 0.277523
+H	-1.3715266054	 0.0246524689	 0.0190727318	 0.098811
+H	-1.3842640012	-0.8030840597	 2.5641922211	 0.079826
+H	-1.3312874532	 1.3064240248	 4.14566788	 0.110291
+H	 0.2156798978	 1.5773478661	 3.2732675377	 0.088787
+H	-3.300487447	 1.0404755903	 2.9371917055	 0.103807
+H	-3.2548359516	 0.9270308791	 1.1457572864	 0.095792
+H	-2.5517744733	 2.9676280612	-0.1973393949	 0.109956
+H	-1.1172344337	 4.0440608492	-0.1349608098	 0.115234
+H	 0.2343060357	 2.3982967719	 1.0108899432	 0.0792
+19
+0 3214	2.8166074	1.6990795	1.3629516	1.9124	74.76	-0.23257	0.07263	0.3052	993.4119	0.158653	-422.498474	-422.491287	-422.490343	-422.529631	29.833
+O	 0.2660644999	 0.6134503532	 0.0472743343	-0.446319
+C	-0.6859867451	-0.0906489907	 0.8091968441	 0.090062
+C	-0.9438719486	 0.5395517043	 2.2300803531	 0.007251
+C	-2.1696100253	-0.2405204095	 2.7005805026	-0.278077
+C	-2.7586929009	 0.6365220134	 1.5724514183	 0.443748
+C	-4.172222585	 0.4351620339	 1.018109388	-0.351183
+C	-3.4978728419	-0.7009472154	 0.136613698	-0.29169
+C	-2.1515902963	 0.0911391684	 0.302312253	-0.011759
+O	-1.8335295757	 1.7036480039	 1.9808615259	-0.372936
+H	 0.0041985104	 1.5422817768	 0.0726912158	 0.28301
+H	-0.3214606433	-1.117530962	 0.8932591512	 0.09488
+H	-0.0799811371	 0.7832692244	 2.8474661199	 0.086893
+H	-2.1804847603	-1.3294817015	 2.6051722563	 0.099108
+H	-2.5229570999	 0.0819685154	 3.6807684715	 0.111718
+H	-4.9648912266	 0.1597645704	 1.7173253908	 0.106027
+H	-4.5067302719	 1.2620842903	 0.3865812632	 0.121688
+H	-3.516170309	-1.6695870285	 0.6392396007	 0.115014
+H	-3.8734671894	-0.8157641508	-0.8807187354	 0.111733
+H	-2.1409543639	 0.8711659639	-0.4661375413	 0.080831
+19
+0 3215	2.7076616	1.7612656	1.3595194	2.5844	75.05	-0.24577	0.07061	0.31638	987.625	0.158764	-422.49639	-422.489174	-422.48823	-422.527559	29.602
+O	-0.0315742795	 0.628937166	-0.1356563637	-0.44503
+C	-0.8280640901	 0.0021901684	 0.8508216495	 0.065708
+C	-1.000723649	 0.7866408464	 2.196960355	-0.071021
+C	-2.0870398771	 1.9153116865	 1.9358135987	-0.335625
+C	-2.9553484543	 0.6614040653	 1.6644004372	 0.27754
+C	-4.2202102704	-0.0238728338	 1.1189155499	-0.223901
+O	-3.3526117861	-0.9174472061	 0.340804387	-0.320593
+C	-2.3083896096	 0.0968985448	 0.4182040137	 0.161123
+C	-2.1617205127	-0.0402692081	 2.7965109587	-0.247809
+H	 0.8759160945	 0.6541212991	 0.1832643026	 0.283233
+H	-0.4858155977	-1.0220153997	 1.0516136723	 0.083672
+H	-0.0938575376	 1.0094047432	 2.7626786068	 0.059796
+H	-2.3080681177	 2.4581631385	 2.857604053	 0.101611
+H	-1.9274950649	 2.607856075	 1.1062099036	 0.109642
+H	-4.8476802736	-0.5755787615	 1.8247151704	 0.109866
+H	-4.8424441626	 0.5911348832	 0.4559929836	 0.104842
+H	-2.3671810915	 0.7444342079	-0.4670490656	 0.085878
+H	-2.4696470865	 0.3027378199	 3.7874547636	 0.096137
+H	-2.0889172337	-1.1307254351	 2.7725735938	 0.104931
+19
+0 3216	4.1890708	1.077378	1.0114356	2.5973	75.45	-0.23803	0.07064	0.30867	1242.9465	0.155991	-422.489199	-422.480877	-422.479933	-422.522265	31.223
+C	 1.5005070137	-0.8056179199	-1.0124078333	-0.426238
+C	 1.3726865677	-0.0784101205	 0.3082056336	-0.039007
+C	 2.1766141639	 1.1672166527	 0.5114902412	 0.080475
+O	 1.8112229563	 1.8173319712	 1.7358098703	-0.321443
+C	 2.2745493992	 0.6779281942	 2.4945179867	 0.364286
+C	 3.3470807405	 0.924086128	 3.5706396885	-0.13639
+O	 2.5456666012	 0.2527783516	 4.5648677405	-0.275433
+C	 1.4214220113	 0.1593132398	 3.6634364992	-0.129552
+C	 2.5874341792	-0.0982998899	 1.2250874456	-0.216652
+H	 1.3157489194	-1.8783621591	-0.8936268994	 0.125817
+H	 0.7850135612	-0.4184564947	-1.7450592663	 0.125927
+H	 2.5051051966	-0.6891908857	-1.4336945689	 0.118155
+H	 0.3849920918	-0.1015876297	 0.7659398904	 0.092005
+H	 2.6406149043	 1.7634306166	-0.2656478073	 0.106182
+H	 4.3205117725	 0.4408602346	 3.4245950092	 0.103513
+H	 3.4902462304	 1.9893830291	 3.792217391	 0.11029
+H	 1.0354333473	-0.8632891735	 3.5798288802	 0.105148
+H	 0.6075010096	 0.8418004266	 3.9396724374	 0.110953
+H	 3.4313090139	-0.7595286514	 1.0773128013	 0.101964
+19
+0 3217	3.9012171	1.1111667	1.0262939	3.0199	75.7	-0.23574	0.07008	0.30582	1214.7131	0.156297	-422.501483	-422.493017	-422.492072	-422.534897	31.78
+O	 0.287439373	-0.0165698799	 0.1268592966	-0.442984
+C	-0.6892131507	 0.7336678858	 0.7890170108	 0.153587
+C	-1.5378943447	 0.0772267503	 1.8314586212	-0.119099
+C	-2.62737241	 1.0473148083	 2.296143046	-0.322565
+C	-1.5166772672	 2.0535822605	 2.7385393423	 0.463239
+C	-1.4756009135	 2.5896629375	 4.1855992325	-0.358352
+C	-1.5280212012	 3.9797159604	 3.5243191843	-0.071235
+O	-1.5540879102	 3.3946634074	 2.2069149026	-0.316197
+C	-0.4446578178	 1.1049773323	 2.2298570457	-0.191105
+H	 0.6650719859	-0.6490161173	 0.747482079	 0.282272
+H	-1.1172710235	 1.4569621461	 0.0999011054	 0.117874
+H	-1.5421394463	-0.998028486	 1.9669082776	 0.085489
+H	-3.3033881163	 1.4173348609	 1.5184714674	 0.108705
+H	-3.217542423	 0.6848318284	 3.1418722576	 0.104689
+H	-2.3365795675	 2.3238591714	 4.8019734939	 0.109828
+H	-0.5580672478	 2.3649996475	 4.7330816037	 0.111139
+H	-2.4278331791	 4.5726150109	 3.7278922645	 0.102384
+H	-0.6456462038	 4.6132465248	 3.6731987966	 0.103843
+H	 0.5343028439	 0.9560642806	 2.6752693423	 0.078488
+19
+0 3218	3.8941248	1.0674293	0.9846615	2.1462	74.95	-0.24093	0.06709	0.30802	1236.4055	0.156339	-422.492043	-422.483543	-422.482599	-422.525618	31.597
+O	 0.3349169273	-0.0082823963	 0.1514770857	-0.44094
+C	-0.6651059719	 0.7210494599	 0.8015339141	 0.151852
+C	-1.489104598	 0.0491177444	 1.8576316113	-0.110728
+C	-2.6141946904	 0.9778326648	 2.3235633468	-0.327605
+C	-1.555782152	 2.058513031	 2.7101076426	 0.300406
+C	-1.6356374968	 3.5406330014	 2.2869568559	-0.131651
+O	-1.5723026817	 3.9850775294	 3.6580941246	-0.274528
+C	-1.5280526596	 2.6299982939	 4.142604565	-0.133718
+C	-0.4447335629	 1.1276604247	 2.2347297144	-0.200425
+H	 0.7284858764	-0.6225473736	 0.7804039129	 0.284738
+H	-1.1245073142	 1.4064833049	 0.091680736	 0.102469
+H	-1.4527586228	-1.025995231	 1.994362845	 0.086933
+H	-3.350287501	 1.2624912563	 1.5628366827	 0.100739
+H	-3.1473476452	 0.6055637134	 3.2026757772	 0.109875
+H	-0.7889677408	 3.9085527386	 1.6931250544	 0.10365
+H	-2.5729695848	 3.8439015096	 1.8015245908	 0.098283
+H	-0.6153639855	 2.4272195452	 4.718849491	 0.099133
+H	-2.402213743	 2.3826988211	 4.7609462571	 0.095738
+H	 0.5336418668	 1.0265429124	 2.6945200025	 0.085778
+19
+0 3219	3.8854821	1.1236184	1.0414427	0.3634	75.3	-0.22421	0.06653	0.29074	1206.9164	0.156378	-422.498223	-422.490111	-422.489167	-422.5307	31.684
+O	 0.448867096	 0.9471648749	 0.2850851051	-0.425395
+C	-0.7825185912	 0.7536507328	 0.9155446756	 0.046379
+C	-1.8403444469	 0.011282943	 0.14694985	 0.027246
+O	-3.0062100132	-0.1584379035	 0.9532449851	-0.32982
+C	-3.1989385908	 1.2825778347	 1.0080712933	 0.457888
+C	-4.5095140414	 1.8628619004	 0.4347948531	-0.289911
+C	-4.5085152156	 2.8848892118	 1.6066315704	-0.217682
+C	-3.5052380517	 1.9630662195	 2.3569986774	-0.286245
+C	-1.9008875543	 1.5171869951	 0.2435843524	-0.221398
+H	 0.949263828	 0.126981094	 0.3540106649	 0.291879
+H	-0.7614510054	 0.6590941282	 2.0035007791	 0.09225
+H	-1.6604539906	-0.6690341221	-0.6776987762	 0.105008
+H	-4.4924901055	 2.2380671668	-0.5913852279	 0.100171
+H	-5.313294768	 1.1281287701	 0.5344623531	 0.114184
+H	-4.0576107567	 3.8389736657	 1.3223944739	 0.107279
+H	-5.4642922281	 3.0833829268	 2.0942350301	 0.103805
+H	-2.6707043722	 2.4207950056	 2.8935287247	 0.100834
+H	-4.0190592525	 1.2635798951	 3.0225033977	 0.115011
+H	-1.703429	 2.283107801	-0.4939885117	 0.108516
+19
+0 3220	2.9614128	1.5634581	1.2133982	2.4959	74.19	-0.238	0.06122	0.29922	1060.9037	0.157267	-422.510271	-422.50247	-422.501526	-422.542134	30.717
+C	 1.3574174481	-0.3832398181	-1.1813479085	-0.410366
+C	 0.9358119123	 0.1164748603	 0.1974252815	-0.015375
+C	 1.6003719532	 1.4684814147	 0.568109013	 0.102426
+O	 1.002092315	 2.054136434	 1.7468253978	-0.312114
+C	 1.7953800527	 1.2185427107	 2.612426492	 0.093314
+C	 1.1806435587	-0.1941727988	 2.7578113175	 0.100276
+O	 1.8813905222	-0.8441351046	 3.8002069546	-0.440624
+C	 1.7367393689	-0.5549124142	 1.3511270265	-0.100582
+C	 2.6628919204	 0.7206505857	 1.423650016	-0.08975
+H	 1.0416927191	-1.420006373	-1.3373914015	 0.117417
+H	 0.9142632444	 0.2287361643	-1.9741781454	 0.118298
+H	 2.4466943972	-0.3478542103	-1.3019501175	 0.117684
+H	-0.1549923108	 0.1066717699	 0.2977052991	 0.074324
+H	 1.7777144879	 2.2084751453	-0.2159649695	 0.073832
+H	 2.1313917962	 1.7244515183	 3.5189014776	 0.085982
+H	 0.0912427894	-0.2419816982	 2.8955932467	 0.067356
+H	 1.7484081956	-1.7929187337	 3.7048425459	 0.283646
+H	 2.088724119	-1.5787439986	 1.204439178	 0.056747
+H	 3.7435343306	 0.7685195363	 1.3319988761	 0.077513
+19
+0 3221	2.6380252	1.654345	1.3684431	1.9411	73.87	-0.24246	0.06475	0.30721	1002.9771	0.158021	-422.519708	-422.511938	-422.510994	-422.551524	30.966
+O	-0.6176569116	-0.1122274836	 0.5174993554	-0.446125
+C	-2.0228314233	-0.0122790103	 0.3843712452	 0.160347
+C	-2.6601450531	 1.0941239644	 1.2642303383	-0.081812
+C	-4.1300482782	 1.3998752047	 0.8818971543	-0.23503
+C	-4.5964657643	 0.1186547912	 1.6117568423	-0.068757
+C	-4.3043278291	-1.1663765647	 0.8148166593	 0.139901
+O	-4.6998066786	-1.1247870753	-0.5370509443	-0.429773
+C	-2.7969754413	-1.0919881156	 1.1815188086	-0.152152
+C	-3.1693328047	-0.0121008323	 2.2667132627	-0.061994
+H	-0.4096816014	-0.1599384825	 1.4576185824	 0.276218
+H	-2.2173944737	 0.0387362698	-0.6901331044	 0.087521
+H	-2.0049715539	 1.9272682493	 1.5252777118	 0.064243
+H	-4.4890437306	 2.290080006	 1.4058028514	 0.098705
+H	-4.3726029415	 1.4883709494	-0.180463125	 0.111372
+H	-5.5386599289	 0.1586244953	 2.1580965854	 0.064889
+H	-4.7544304349	-2.0241554281	 1.3370856514	 0.067003
+H	-4.4435416752	-1.9519663579	-0.9577598516	 0.284455
+H	-2.2646782443	-2.0276022729	 1.3659310884	 0.058577
+H	-2.9655379815	-0.0721914769	 3.3327821884	 0.062414
+19
+0 3222	3.9359222	1.3400406	1.2793347	0.5431	74.36	-0.23267	0.06659	0.29925999999999997	1053.7444	0.157907	-422.518306	-422.51073	-422.509786	-422.549901	30.325
+C	-0.0507314885	 0.444644488	 0.2018288173	-0.42698
+C	 1.3820342047	-0.041493997	 0.0663565358	 0.025994
+C	 1.9620918013	-1.0581629488	 1.0877173911	 0.043545
+O	 1.0067392409	-2.1391117118	 1.0311549649	-0.270014
+C	 1.2511708391	-2.5144838382	-0.3305888878	 0.020216
+C	 2.7184740956	-3.0194090496	-0.2420759241	 0.10708
+O	 3.2969166439	-3.4115316708	-1.4691342479	-0.439085
+C	 2.9981442247	-1.5319746735	-0.0048268304	-0.072077
+C	 1.7861159476	-1.1433680319	-0.9314944186	-0.079878
+H	-0.1480403086	 1.1641764207	 1.0225965052	 0.111942
+H	-0.3827011855	 0.9431115847	-0.7153814072	 0.112132
+H	-0.7253686619	-0.3907792371	 0.4033638587	 0.130877
+H	 2.0820638928	 0.7945014221	-0.0480547811	 0.073962
+H	 2.213005789	-0.8173963992	 2.1198588259	 0.075793
+H	 0.4284026683	-3.098798589	-0.7421111164	 0.072809
+H	 2.9238564219	-3.7333096744	 0.5666378039	 0.068944
+H	 2.9373299234	-4.2737688	-1.7012503374	 0.285901
+H	 3.985497773	-1.0781159724	-0.052610274	 0.078869
+H	 1.8502688383	-1.0238318021	-2.0092955879	 0.07997
+19
+0 3223	3.265871	1.437876	1.2199138	0.0038	73.81	-0.24552	0.06291	0.30843	1050.0591	0.158637	-422.525954	-422.51844	-422.517495	-422.557406	30.593
+O	-3.1363793021	 2.9470538381	-1.2004608824	-0.455766
+C	-3.8442148966	 2.0152030678	-0.4141221806	 0.173641
+C	-3.075476593	 1.3680799112	 0.7743107065	-0.091418
+C	-4.1990182502	 0.5081730814	 1.3966542229	-0.224778
+C	-4.363941358	-0.4111740713	 0.1651115661	-0.091418
+C	-2.9672529776	-1.0972389889	 0.1391481854	 0.173642
+O	-2.7599002608	-2.0858418389	-0.844404908	-0.455766
+C	-2.4728059596	 0.3083547096	-0.2482508557	-0.109794
+C	-3.8510868922	 0.5793741145	-0.969637575	-0.109794
+H	-2.3156228518	 2.5393153481	-1.4976985076	 0.280615
+H	-4.797809964	 2.4978441438	-0.1785303822	 0.079638
+H	-2.4466789221	 1.9693153185	 1.430359522	 0.068299
+H	-3.9012310035	-0.0479625699	 2.290295604	 0.09913
+H	-5.0853353537	 1.1008012626	 1.6411789575	 0.099129
+H	-5.278256175	-0.994703159	 0.0612232656	 0.068299
+H	-2.6204006605	-1.5422576078	 1.07693348	 0.079638
+H	-2.9816156699	-1.7152482304	-1.7056509647	 0.280615
+H	-1.487759469	 0.4805659781	-0.6828920234	 0.068045
+H	-4.0709581806	 0.3597126226	-2.0147652304	 0.068045
+19
+0 3224	3.6468747	1.1464604	1.0166494	2.6462	74.76	-0.22972	0.07225	0.30197	1224.2525	0.15657	-422.516393	-422.508115	-422.50717	-422.548767	32.217
+C	 0.0730450303	 0.1785743751	 0.0459955051	-0.423253
+C	 1.5797569015	 0.0416977367	 0.0349218714	-0.056325
+C	 2.2032978581	-1.0856038923	-0.7474952123	 0.085432
+O	 3.5258025511	-0.9484406769	-1.2150986992	-0.259806
+C	 4.4355204573	-1.0501982535	-0.1473492376	 0.077726
+C	 4.5443882411	 0.0839469313	 0.8287012865	 0.032504
+O	 5.782778018	 0.1698729769	 1.4710663152	-0.42907
+C	 3.6684912981	-1.1173810647	 1.157316937	-0.150154
+C	 2.2093876432	-1.1381300725	 0.7629013273	-0.096822
+H	-0.2766755896	 0.659827361	 0.9658982105	 0.120247
+H	-0.2756156521	 0.7775711883	-0.8022048915	 0.122589
+H	-0.4137190647	-0.8007690438	-0.0174935369	 0.115319
+H	 2.1208028421	 0.9819465378	 0.0402603971	 0.090686
+H	 1.5916998059	-1.7180529085	-1.3838799974	 0.095741
+H	 5.3204127733	-1.6377811783	-0.3681017985	 0.109975
+H	 4.0794325131	 1.0356439594	 0.5794432466	 0.093939
+H	 5.6258184292	 0.4075408036	 2.3912404006	 0.287728
+H	 3.9945497305	-1.7660179775	 1.961803991	 0.094582
+H	 1.5580212335	-1.8089337121	 1.3115996154	 0.088961
+19
+0 3225	3.3440773	1.1493969	0.995353	1.9957	74.24	-0.23236	0.07092	0.30328	1218.0625	0.157031	-422.527868	-422.519427	-422.518483	-422.560515	32.675
+O	 0.47077554	 0.2179737409	 0.6163541057	-0.438786
+C	-0.9254413376	 0.283447589	 0.6922534085	 0.082354
+C	-1.5666643821	 0.1444958224	 2.0516781024	-0.094687
+C	-3.0055064403	 0.6232533763	 2.2734098561	-0.265685
+C	-3.9123424746	-0.272330654	 1.4188074014	-0.102248
+C	-3.8276507394	-0.23619942	-0.0824060426	 0.139252
+O	-4.9264709504	-0.6098217724	-0.8642714536	-0.444231
+C	-3.0288350245	-1.2735803001	 0.6669633277	-0.123894
+C	-1.5897574122	-1.0121854439	 1.056133307	-0.056892
+H	 0.8234342498	 1.0583642215	 0.9281415647	 0.284312
+H	-1.3856715355	 0.9356558472	-0.0491585257	 0.083851
+H	-0.8887288577	 0.1203459936	 2.8983840355	 0.086206
+H	-3.2675526281	 0.5008164484	 3.329436792	 0.106994
+H	-3.1343015652	 1.6870862675	 2.0383093099	 0.102641
+H	-4.8647413213	-0.5810687672	 1.8412719893	 0.078989
+H	-3.3185656259	 0.5860699661	-0.5722532534	 0.103889
+H	-5.3642847598	-1.3559014157	-0.4422246146	 0.281586
+H	-3.3303483405	-2.3101356055	 0.5504411471	 0.08002
+H	-0.9310799848	-1.8633770741	 1.1812300824	 0.096331
+19
+0 3226	2.3700248	2.0467067	1.5310982	1.7009	72.93	-0.23193	0.0931	0.32503	944.7693	0.158892	-422.568319	-422.56085	-422.559906	-422.599672	30.279
+C	 1.8355395595	-2.3059353668	-0.6193262945	-0.508771
+C	 0.817203086	-1.3911620947	-1.2377437104	 0.264538
+C	-0.1767811128	-1.7861051663	-2.3341345448	-0.164145
+C	-1.4250373556	-0.9264334002	-2.155835165	-0.238832
+C	-0.6740841073	 0.3058461634	-1.6219053964	-0.001047
+O	 0.3635283696	 0.5213346923	-2.6013633954	-0.278295
+C	 0.9219640032	-0.7875097272	-2.6197310127	 0.034435
+C	 0.1407772223	-0.2695346434	-0.438634389	 0.114727
+O	 1.0504558509	 0.6471166458	 0.1257655582	-0.452943
+H	 1.3756190169	-2.9845793849	 0.1084057466	 0.118665
+H	 2.3354331653	-2.9214483358	-1.374342718	 0.113916
+H	 2.5993754986	-1.7219712345	-0.0957190823	 0.133043
+H	-0.1909252274	-2.774303841	-2.7752314761	 0.089611
+H	-1.9432218097	-0.7233753362	-3.0973047032	 0.109464
+H	-2.13793931	-1.3261738145	-1.4291228094	 0.105115
+H	-1.2212864151	 1.2303779139	-1.4520356081	 0.085374
+H	 1.7408881121	-0.9201840029	-3.3127416692	 0.103075
+H	-0.4937824193	-0.6341148939	 0.3741264999	 0.085466
+H	 1.4751779829	 1.088637687	-0.6215603403	 0.286604
+19
+0 3227	2.3554358	2.0415427	1.5236008	2.4437	72.92	-0.22619	0.0726	0.29879	947.019	0.158394	-422.560703	-422.553152	-422.552207	-422.592077	30.659
+C	 0.6507914148	-0.4031134792	-0.6357592071	-0.415325
+C	 0.9278134841	 0.1997826393	 0.7376138973	-0.054987
+C	 1.5174569361	 1.63420163	 0.7319973192	 0.042751
+C	 1.8275771629	 1.8876801058	 2.2267426444	-0.233769
+C	 2.6962991523	 0.6485623595	 2.4016776441	-0.199545
+C	 3.2990818547	 0.4305548957	 1.0215463373	 0.044279
+O	 2.8273309226	 1.4486725141	 0.1603947166	-0.258182
+C	 2.1354340044	-0.4179134636	 1.4509321244	 0.358957
+O	 2.2872351169	-1.782079219	 1.6402575372	-0.478141
+H	 0.4860053731	-1.4817733634	-0.5547809905	 0.119264
+H	-0.2369465454	 0.0437267194	-1.0950715906	 0.105664
+H	 1.5025783593	-0.2399290635	-1.3014105309	 0.135558
+H	 0.0287843785	 0.1651992909	 1.3656285371	 0.063763
+H	 0.9811574276	 2.4028871746	 0.1786146945	 0.079995
+H	 2.3754658166	 2.821677137	 2.3799893617	 0.106524
+H	 0.92638269	 1.8896441644	 2.8465773765	 0.097629
+H	 3.2319694892	 0.3923930075	 3.3058046761	 0.090987
+H	 4.2963383101	 0.0671394913	 0.8205082787	 0.110201
+H	 1.7133275421	-2.0516073907	 2.3660780038	 0.284376
+19
+0 3228	2.3548625	2.0631292	1.5234101	1.9809	72.53	-0.2341	0.08715	0.32125000000000004	953.7211	0.158007	-422.556532	-422.54891	-422.547966	-422.588106	30.271
+C	 0.4650557062	-0.4417181774	-0.8833118162	-0.419001
+C	 1.3509446075	 0.1065606827	 0.2301147537	-0.051256
+C	 2.2944691554	 1.2596533398	-0.1932386053	 0.135127
+O	 3.1934370748	 0.638575005	-1.1073533326	-0.25065
+C	 3.6466090344	-0.3979069882	-0.254425244	-0.008076
+C	 3.5671002519	 0.1760415656	 1.1414819059	-0.016772
+O	 3.0725353294	 1.4931802871	 0.974928993	-0.249374
+C	 2.4995521725	-0.8064889362	 0.67005726	 0.235789
+C	 2.3147905538	-2.1866648077	 1.2337255288	-0.507766
+H	-0.0755943393	-1.3344278741	-0.5531078416	 0.116772
+H	-0.2815972934	 0.2980698384	-1.1914428096	 0.11438
+H	 1.0630261441	-0.7068914366	-1.7590848965	 0.133781
+H	 0.7547655745	 0.4281487005	 1.0905202642	 0.082044
+H	 1.8943808332	 2.185691805	-0.5978480221	 0.096283
+H	 4.4158694023	-1.0358217174	-0.6646760329	 0.109858
+H	 4.2665695595	 0.040286781	 1.9535640473	 0.110236
+H	 1.7287772129	-2.1630863699	 2.1596563925	 0.124049
+H	 1.7974073953	-2.8433018202	 0.5252460464	 0.12559
+H	 3.2782167749	-2.6525104276	 1.467010209	 0.118986
+19
+0 3229	2.3129874	2.0338087	1.5293727	0.7133	72.95	-0.23676	0.06092	0.29768	941.2123	0.158992	-422.575818	-422.568191	-422.567247	-422.607304	30.916
+O	 0.3636968632	 0.0866629796	-0.0022571719	-0.455226
+C	-0.8153080767	 0.3415760055	 0.7443923517	 0.079783
+C	-2.0841050124	 0.1637665294	-0.1150797199	-0.075917
+C	-2.0797256525	-1.3608500666	-0.3900814087	-0.218801
+C	-1.9401708749	-1.8039259275	 1.0632433862	-0.142546
+C	-2.6407639352	-0.7519485711	 1.9238573691	-0.109084
+C	-3.1891771068	 0.3013239305	 0.9626890292	-0.230711
+C	-1.1394895367	-0.7347411302	 1.7764464369	 0.377897
+O	-0.2830271933	-0.9821064479	 2.8448110823	-0.488609
+H	 1.1022252949	 0.1227275573	 0.614397292	 0.279645
+H	-0.772764067	 1.3416490793	 1.2016659046	 0.06258
+H	-2.1597577827	 0.8174641617	-0.9829163823	 0.06998
+H	-3.0104977861	-1.7009384215	-0.8561475634	 0.08995
+H	-1.2351047158	-1.6651976384	-1.0122858895	 0.111841
+H	-1.8954619764	-2.8386439481	 1.3786269003	 0.079962
+H	-3.1063491235	-1.0138875607	 2.8646637529	 0.089183
+H	-4.1834214145	 0.0540593273	 0.5763476456	 0.097247
+H	-3.2292115852	 1.3036674249	 1.4016468156	 0.097827
+H	 0.3357468616	-1.6685460635	 2.5747899793	 0.284997
+19
+0 3230	2.0283751	1.7553998	1.5120185	0.9997	75.09	-0.23175	0.04121	0.27296	1019.6456	0.155944	-422.508459	-422.499728	-422.498783	-422.541095	33.698
+C	-0.4585794081	-0.3106414761	 3.2945674822	-0.516526
+C	-1.2783094343	-0.1111509315	 2.0557776484	 0.217596
+C	-2.8168831938	-0.3424411868	 2.0167846165	-0.156587
+C	-3.22238023	-0.6110091417	 0.5666936417	-0.24091
+C	-2.1502022759	 0.4426594427	 0.1836508837	-0.180156
+C	-0.8129876565	-0.2306519312	 0.6035102572	 0.109414
+O	 0.3578178442	 0.5056222973	 0.313577132	-0.44411
+C	-2.2468690476	 1.0027598328	 1.6851727829	 0.29922
+O	-2.5809396828	 2.2068612797	 2.2508772041	-0.450031
+H	-0.2786348877	-1.3733930983	 3.4932389872	 0.124739
+H	 0.518449435	 0.1755788955	 3.1956905375	 0.118897
+H	-0.9586341862	 0.1127957522	 4.1720012939	 0.12423
+H	-3.3340031501	-0.619702646	 2.9274065913	 0.08997
+H	-3.092999438	-1.6198352295	 0.1579394862	 0.09086
+H	-4.239438499	-0.262998614	 0.3671674275	 0.106125
+H	-2.1993060366	 1.0123685955	-0.7425058063	 0.073367
+H	-0.6332618291	-1.2336661044	 0.2008194945	 0.078989
+H	 0.2640093739	 1.3774467724	 0.7147268936	 0.268641
+H	-1.8395395275	 2.8160480414	 2.1629143658	 0.28627
+19
+0 3231	2.0152968	1.7738602	1.540977	1.7911	75.22	-0.23585	0.06702	0.30287	1014.6024	0.155852	-422.511687	-422.50284	-422.501896	-422.544537	33.741
+C	-2.9177801041	 2.6093095453	 0.5935238559	-0.531209
+C	-2.5104616722	 1.2203970632	 0.9592044831	 0.281122
+C	-3.1582196916	 0.1679648694	 1.8479344389	-0.188127
+C	-3.0988536061	-0.8954422977	 0.7537470276	-0.246655
+C	-1.9641757153	-0.0324753933	 0.1417762351	-0.147253
+C	-0.7985571959	-0.1405292878	 1.1757745413	 0.096123
+O	 0.3812656291	 0.5444876473	 0.8211186404	-0.449774
+C	-1.7162296127	 0.6470322593	 2.1076460826	 0.284966
+O	-1.360350073	 1.3417921593	 3.2460206503	-0.466919
+H	-3.1802505514	 3.1765403498	 1.4927441473	 0.13403
+H	-2.1099755942	 3.1497239006	 0.0858890275	 0.118298
+H	-3.7876447834	 2.6150043697	-0.073209565	 0.122717
+H	-3.9176433715	 0.337633604	 2.6028433403	 0.0847
+H	-2.8490831084	-1.9272120705	 1.0296863667	 0.087601
+H	-4.0030144774	-0.8940919033	 0.1378395932	 0.10073
+H	-1.7236237122	-0.0485329627	-0.9192980386	 0.076294
+H	-0.4920696949	-1.1561914742	 1.4551015423	 0.069592
+H	 0.2163771583	 1.4889021344	 0.9207020532	 0.285563
+H	-1.3438640431	 0.729379787	 3.9904354079	 0.2882
+19
+0 3232	2.3591717	1.7324247	1.3342431	2.4655	74.69	-0.22939	0.07367	0.30306	1044.2505	0.1559	-422.507108	-422.498477	-422.497533	-422.539823	32.942
+C	 0.4306294558	-1.2048795026	-3.0020397271	-0.519338
+C	 0.4283991896	-1.3422862085	-1.5095577378	 0.179
+C	 1.0596869951	-2.5190426526	-0.7504510172	-0.014179
+O	 1.4241531735	-2.0713164473	 0.5654253221	-0.311108
+C	 0.1420575656	-1.3700138347	 0.5738497543	-0.055845
+C	 0.3920680548	-0.2329685042	-0.4494642309	 0.137862
+O	 1.5105642847	 0.5803932007	-0.2464450899	-0.453262
+C	-0.4043504027	-2.2638239853	-0.5986830976	 0.245256
+C	-1.6449847598	-3.0705767611	-0.8026976645	-0.530441
+H	 0.4008967307	-2.1818183905	-3.4973879069	 0.117168
+H	-0.4331302317	-0.6293654111	-3.3536582041	 0.122524
+H	 1.335402634	-0.6889706734	-3.3415668181	 0.135367
+H	 1.6229369932	-3.3239038662	-1.2060094659	 0.106511
+H	-0.2612292296	-1.213106517	 1.5724825031	 0.083956
+H	-0.4843359904	 0.4093552688	-0.5739328485	 0.087294
+H	 2.1971987342	-0.0171354969	 0.0820220736	 0.284314
+H	-1.7579654145	-3.8359007316	-0.0268835844	 0.131431
+H	-2.5421532841	-2.4415834744	-0.7872788124	 0.126067
+H	-1.6184983684	-3.5803256921	-1.7716366277	 0.127422
+19
+0 3233	2.0376062	1.758073	1.533769	1.4543	75.01	-0.23104	0.0586	0.28964	1016.8576	0.155854	-422.505771	-422.497132	-422.496188	-422.538245	33.655
+C	 1.4185570388	 1.0644553015	 0.0741123411	-0.40602
+C	 1.0819429586	-0.4192004675	 0.002162357	-0.045733
+C	 1.8626770033	-1.2091306311	-1.0968683313	-0.137154
+C	 1.3253189173	-2.6633628308	-0.9864365501	-0.24389
+C	 2.0039061097	-2.6984124498	 0.379475219	-0.197592
+C	 1.8605827715	-1.2715235129	 1.003103525	 0.311215
+O	 2.0215214448	-1.0460668469	 2.3547378032	-0.47283
+C	 2.9518807636	-1.5818316643	 0.017812945	 0.331494
+O	 4.3184750277	-1.5666194185	 0.0651636178	-0.455646
+H	 1.054960164	 1.5066816975	 1.0070878594	 0.120394
+H	 2.5026851945	 1.225146262	 0.0361866025	 0.102143
+H	 0.969221064	 1.6130072734	-0.7603789959	 0.111333
+H	-0.0068814438	-0.5650355456	-0.0227146868	 0.054974
+H	 2.0582778021	-0.7425868829	-2.0607462707	 0.070551
+H	 0.2382659635	-2.7938188634	-1.0410075596	 0.085407
+H	 1.8114811677	-3.3400277221	-1.6948461802	 0.103305
+H	 2.2129986965	-3.5369190431	 1.0326926973	 0.087593
+H	 1.2962991965	-1.469141882	 2.8276934079	 0.286753
+H	 4.6081920497	-0.6849747135	 0.3256710096	 0.293701
+19
+0 3234	1.9753863	1.7835197	1.5508497	0.9421	74.76	-0.22141	0.06579	0.2872	1021.9001	0.155324	-422.494073	-422.485391	-422.484447	-422.526696	33.394
+C	 1.2959482539	 1.1124372542	 0.0228000221	-0.418543
+C	 1.0070373483	-0.3772652786	-0.1114921624	-0.04309
+C	 1.9625693208	-1.1244386208	-1.0822111441	-0.020446
+O	 1.4698455434	-2.4894858636	-1.0809408807	-0.2883
+C	 1.941710778	-2.5924747342	 0.2589910436	-0.074633
+C	 1.6424816903	-1.2401921159	 0.9872690518	 0.261102
+C	 1.4846475926	-1.1422336939	 2.4743272674	-0.515512
+C	 2.9023169842	-1.4507547788	 0.1725734175	 0.265791
+O	 4.2074433554	-1.228280782	 0.5160302268	-0.452103
+H	 0.7509805442	 1.5484673897	 0.8665672133	 0.118373
+H	 2.3640314778	 1.2954131312	 0.186304445	 0.126686
+H	 0.9935513462	 1.6528974927	-0.8807829558	 0.113816
+H	-0.0532510423	-0.5611622493	-0.323265328	 0.069249
+H	 2.217918253	-0.7467499657	-2.071389061	 0.082342
+H	 1.9569768686	-3.5564536344	 0.7512476882	 0.107694
+H	 2.1650843339	-1.8292450544	 2.9887546853	 0.123852
+H	 1.7091454911	-0.1322210555	 2.8349197022	 0.126371
+H	 0.4625219646	-1.3897532735	 2.7826740306	 0.122828
+H	 4.766039486	-1.8356392771	 0.0161069482	 0.294523
+19
+0 3235	1.9907847	1.7420944	1.5579945	2.8387	74.55	-0.21933	0.05424	0.27357	1026.4786	0.155251	-422.495265	-422.486528	-422.485584	-422.527992	33.415
+C	 0.636307395	-0.564864567	-0.5776188303	-0.430197
+C	 0.7670723446	 0.2541029758	 0.7005096027	-0.055126
+C	 1.7826396932	-0.3111137263	 1.7373247736	 0.005431
+O	 1.6792043003	 0.6106863313	 2.8601284285	-0.294983
+C	 2.3344707157	 1.5585613125	 2.0167224673	-0.016387
+C	 2.9398642051	 0.5490829324	 1.0856225433	 0.203707
+C	 4.3268875887	 0.2842159518	 0.600231366	-0.541077
+C	 1.7616709262	 1.4139742952	 0.6042144367	 0.295579
+O	 1.7599894031	 2.4918086518	-0.2530966864	-0.461527
+H	 0.0698015732	-1.4851954918	-0.4016306701	 0.121524
+H	 0.1082521469	-0.0007257785	-1.3548453443	 0.117537
+H	 1.617894987	-0.8467712696	-0.9767912735	 0.112828
+H	-0.2158713564	 0.4835814745	 1.1284585189	 0.076114
+H	 1.8030549631	-1.3624175879	 2.0212126341	 0.084046
+H	 2.7091461171	 2.4858161625	 2.4315205089	 0.110354
+H	 4.9711666629	-0.0949490104	 1.4014641804	 0.131651
+H	 4.3427181752	-0.4471281336	-0.2162962384	 0.120469
+H	 4.7762207709	 1.2092631349	 0.2224749648	 0.130707
+H	 1.8619645482	 2.1663081423	-1.1548948923	 0.289351
+19
+0 3236	2.2680924	1.9651485	1.6066702	2.022	73.68	-0.23307	0.0558	0.28887	945.6261	0.157604	-422.523647	-422.51598	-422.515036	-422.555163	30.836
+C	 1.3004112759	-2.5783126803	-1.5775604369	-0.515673
+C	 0.4053746287	-1.5652377506	-0.9067808754	 0.228807
+C	-0.236446764	-1.7959260726	 0.4918821367	-0.283561
+C	-1.267693237	-0.7538558719	 0.0305625896	-0.077003
+C	-0.5156231759	 0.4799000687	-0.6061621513	 0.042683
+O	-1.0648202745	 0.1686472693	-1.9227899688	-0.298904
+C	-1.0654867136	-1.1814617558	-1.4342974377	 0.0766
+C	 0.902347475	-0.0969344424	-0.764551599	 0.115393
+O	 1.7172238569	 0.1846424781	 0.3546495333	-0.444373
+H	 2.2416071965	-2.7072560562	-1.0272822812	 0.108151
+H	 0.8236169989	-3.5627927358	-1.6332750751	 0.118645
+H	 1.5530370164	-2.2694046051	-2.5982826564	 0.123491
+H	-0.6976102983	-2.785229159	 0.5714702787	 0.093159
+H	 0.3798191619	-1.5917411416	 1.3678009172	 0.109664
+H	-2.2406888922	-0.5843439186	 0.4869107093	 0.077208
+H	-0.6436070551	 1.5143280341	-0.2917142082	 0.084679
+H	-1.652039168	-1.8989030365	-2.0079965769	 0.082374
+H	 1.3521779908	 0.2795078193	-1.6919012076	 0.072711
+H	 2.5589619374	-0.2670394531	 0.2372281996	 0.28595
+19
+0 3237	2.4060323	1.978329	1.6104655	2.1497	73.64	-0.24017	0.07566	0.31583	934.805	0.158203	-422.53435	-422.527004	-422.52606	-422.565523	30.224
+C	 1.8057426146	-0.0463930338	-2.9651647947	-0.511907
+C	 0.5405331309	 0.2545983285	-2.220587353	 0.368183
+O	 0.3210553278	 1.6894416623	-1.940068874	-0.346241
+C	-1.0595752761	 1.3051414135	-1.8088989585	 0.108055
+C	-1.17519086	 0.1212656717	-0.7430515849	-0.139644
+C	-1.7641504533	-0.7632048976	-1.8726287545	-0.263227
+C	-0.9238197766	 0.1334140769	-2.8004154835	-0.117083
+C	 0.3150087216	-0.2955991444	-0.7824492485	 0.159786
+O	 1.1600221092	 0.3076669934	 0.1603628011	-0.459024
+H	 2.6730446882	 0.1990835992	-2.3441917458	 0.139134
+H	 1.8524038172	-1.1124627467	-3.210012744	 0.124906
+H	 1.864593914	 0.5276507077	-3.8938606641	 0.128233
+H	-1.779799195	 2.1205808578	-1.836806897	 0.088257
+H	-1.6432436902	 0.2304990225	 0.2329998266	 0.074494
+H	-1.5622746596	-1.8376533159	-1.8310420875	 0.099005
+H	-2.8328544502	-0.5994915768	-2.0350997322	 0.105588
+H	-1.0573858821	 0.2242393791	-3.8775525993	 0.076684
+H	 0.4479312034	-1.3774248184	-0.6968647185	 0.08171
+H	 1.1820172963	 1.2431758813	-0.0898384377	 0.283092
+19
+0 3238	2.2690086	2.1488873	1.5402845	2.213	73.67	-0.22794	0.06916	0.29710000000000003	939.066	0.157691	-422.525617	-422.518041	-422.517097	-422.556994	30.789
+C	 0.8239973266	 0.9367612701	 0.0258226618	-0.42388
+C	 0.9130792002	-0.5748631056	 0.1963589324	 0.002517
+C	 1.5090623825	-1.3452740078	-1.0024661372	 0.056351
+O	 2.8191403831	-0.7153199126	-1.1583977363	-0.287796
+C	 3.131872482	-1.4129502626	 0.0508343958	 0.03162
+C	 2.171113419	-2.5773155926	-0.258952831	-0.079133
+C	 1.6988883482	-2.6154150539	 1.2036827399	-0.323589
+C	 2.0046481091	-1.0928479305	 1.1653584389	 0.358439
+O	 2.1913306526	-0.3100366387	 2.2958327915	-0.48475
+H	 0.5851971326	 1.4119075012	 0.9809650536	 0.126133
+H	 1.7698873155	 1.3431441343	-0.3362853337	 0.136268
+H	 0.0387772072	 1.199193327	-0.6915739486	 0.104188
+H	-0.0631819625	-0.9816623656	 0.4826643666	 0.070593
+H	 0.9490225321	-1.4249893273	-1.9337021529	 0.077958
+H	 4.1877237946	-1.4698180868	 0.3172454354	 0.079509
+H	 2.44937803	-3.4512084909	-0.8427904636	 0.081997
+H	 0.6794263588	-2.9253943503	 1.4482088889	 0.101399
+H	 2.4138917273	-3.1764935706	 1.8160737925	 0.090612
+H	 2.8799072313	-0.707982717	 2.8377513958	 0.281564
+19
+0 3239	2.3418997	1.9815073	1.5842095	0.5533	73.6	-0.23717	0.0657	0.30287	951.3565	0.156768	-422.519667	-422.511917	-422.510973	-422.551356	30.778
+C	-0.1431323078	-0.2455980172	-0.3053852141	-0.429996
+C	 1.3594012411	-0.0209100344	-0.1823754058	 0.008455
+C	 1.837632924	 1.4028185627	 0.1739911719	 0.005503
+O	 3.2872814605	 1.2558934704	 0.0707234727	-0.29451
+C	 3.1777752012	 0.4862466451	 1.2666138207	 0.009915
+C	 1.9424645127	 1.2292389689	 1.7637206626	 0.061391
+O	 1.259859705	 0.0425215818	 2.1529085653	-0.324046
+C	 2.0242691852	-0.62153155	 1.0868428725	 0.367948
+C	 2.2038466269	-2.0983943197	 1.2705287607	-0.514533
+H	-0.6592422703	 0.0394260655	 0.6136150223	 0.137107
+H	-0.5536255472	 0.3420167171	-1.13314969	 0.113148
+H	-0.3684166526	-1.2979449128	-0.5084320165	 0.116163
+H	 1.8842038118	-0.3339352506	-1.0900948187	 0.083406
+H	 1.4400578341	 2.2742223258	-0.3436444872	 0.08184
+H	 4.1046008823	 0.2629863136	 1.7930766217	 0.091581
+H	 1.8767899812	 2.0759619795	 2.4438777048	 0.094953
+H	 2.6764258294	-2.3170638251	 2.2324106926	 0.129366
+H	 1.2402504655	-2.6177554029	 1.2396250259	 0.13335
+H	 2.835278227	-2.5015069479	 0.4724280683	 0.128961
+19
+0 3240	2.3022205	2.1172438	1.5541967	2.0924	73.81	-0.24588	0.06267	0.30855	927.9247	0.15867	-422.537352	-422.530045	-422.529101	-422.568397	30.512
+O	 0.631665981	 0.3750939152	 0.7579819211	-0.463303
+C	-0.6485567539	-0.1670212774	 1.0363341659	 0.102074
+C	-1.7592445151	-0.0154376971	-0.0164424586	-0.088923
+C	-1.859303196	 1.5257735811	-0.1973486319	-0.273571
+C	-2.3733602466	 1.4920562551	 1.248170432	-0.091899
+C	-2.996742908	 0.0871976646	 0.9904601043	-0.032588
+C	-2.5849614228	-0.3635122177	 2.4066367075	-0.294659
+C	-1.4026834466	 0.5937549006	 2.1555771415	 0.389747
+O	-0.6204813858	 1.0933101571	 3.1796189775	-0.495236
+H	 0.5254019455	 1.1528006203	 0.2003697769	 0.285087
+H	-0.4630289678	-1.207949399	 1.3158780182	 0.08531
+H	-1.7546200636	-0.693051997	-0.8698486634	 0.067966
+H	-0.9667884014	 2.1086692302	-0.4622357891	 0.076034
+H	-2.6540111685	 1.7979513004	-0.8979141013	 0.106613
+H	-2.9029143412	 2.3063107824	 1.7406070963	 0.072996
+H	-3.992404526	-0.0551249551	 0.5759884408	 0.075442
+H	-3.2912722433	 0.0234213821	 3.1464343	 0.105809
+H	-2.3601659981	-1.4138527164	 2.6183716783	 0.092015
+H	 0.2755135579	 1.1610352006	 2.8181934241	 0.281084
+19
+0 3241	2.8261463	1.8737087	1.5017618	1.1949	72.95	-0.23081	0.08278	0.31359	941.5373	0.159659	-422.541442	-422.534547	-422.533603	-422.572338	28.25
+C	 0.3690995759	 1.0857234816	-0.2776056137	-0.425723
+C	 0.6520558978	-0.3878709969	-0.001292251	 0.018496
+C	 1.2609261592	-1.1454037004	-1.2061063714	 0.044663
+O	 2.541545312	-0.4551000615	-1.3542279393	-0.297965
+C	 2.8835425564	-1.1398554106	-0.1278027076	 0.071209
+C	 2.0171046644	-2.3485290265	-0.5414431001	-0.067784
+C	 1.4449950965	-2.9325637128	 0.7422806021	-0.117945
+O	 1.5822153227	-1.8710706382	 1.7064973752	-0.273925
+C	 1.8483370686	-0.689523097	 0.9558161375	 0.06264
+H	 0.0707603427	 1.6018656203	 0.6407024756	 0.114465
+H	 1.2555131248	 1.580431641	-0.6812013401	 0.136997
+H	-0.4440321447	 1.2014240159	-1.0029473439	 0.111349
+H	-0.2447261947	-0.8796463077	 0.3887908827	 0.080526
+H	 0.693059775	-1.2287243888	-2.1334084718	 0.077668
+H	 3.9450446418	-1.1668476388	 0.1120819505	 0.086698
+H	 2.4627278466	-3.0405062943	-1.2535162359	 0.088921
+H	 0.3930989619	-3.2364715881	 0.649987222	 0.100896
+H	 2.0176395899	-3.7980605246	 1.0938444394	 0.109848
+H	 2.1333088731	 0.1028754874	 1.6468413498	 0.078968
+19
+0 3242	2.8405564	1.8625149	1.506244	1.2094	72.92	-0.24558	0.07813	0.32371	940.4044	0.159642	-422.544191	-422.537321	-422.536377	-422.57507	28.193
+C	 1.8709670305	-0.9763044587	-0.9896674778	-0.424715
+C	 1.4643727366	-0.2358831523	 0.2806635895	 0.043521
+C	 1.7323569234	 1.2851283859	 0.2249646746	 0.018031
+O	 3.1898778049	 1.333058212	 0.158682062	-0.296678
+C	 3.1369041233	 0.8645224355	 1.5224436484	 0.053868
+C	 1.8421625889	 1.6621422569	 1.7494229789	 0.107566
+O	 1.0002018442	 1.0127916737	 2.666927989	-0.278416
+C	 1.4952100778	-0.3409224874	 2.7745108236	-0.094683
+C	 2.3698557337	-0.5040761148	 1.5305791554	-0.103742
+H	 1.7838873296	-2.059641418	-0.8562048403	 0.110422
+H	 1.2305551864	-0.6923000051	-1.8322023554	 0.111625
+H	 2.9049168382	-0.7426970761	-1.255246764	 0.135905
+H	 0.4142630484	-0.4353509343	 0.5185309892	 0.079103
+H	 1.2356078839	 1.8927690099	-0.5319993319	 0.075372
+H	 4.0642966236	 0.9709424626	 2.0833905644	 0.0853
+H	 1.9206133934	 2.7269555522	 1.9621571261	 0.095563
+H	 2.0599036216	-0.4537814824	 3.7118668272	 0.09663
+H	 0.6421574624	-1.0260982553	 2.7983457739	 0.112171
+H	 2.9695902293	-1.4134131544	 1.4981839474	 0.073158
+19
+0 3243	2.5455756	2.12185	1.6522212	2.2173	72.87	-0.25068	0.0906	0.34128000000000003	890.5155	0.161115	-422.556625	-422.550131	-422.549187	-422.587032	27.657
+O	 0.5762449177	 0.5907196058	 0.6665472875	-0.465016
+C	-0.6105919655	-0.087209028	 0.9934853226	 0.159421
+C	-1.7650680912	 0.0143889009	-0.0341486812	-0.078436
+C	-2.8540074386	-0.7916476969	 0.7245417347	-0.249011
+C	-2.8329969215	 0.4262799754	 1.6797057254	-0.044212
+C	-2.5306705913	 1.310074085	 0.4322841907	-0.030526
+C	-1.7103415166	 2.4842435809	 0.9442718945	-0.127149
+O	-1.0834120151	 1.9739620022	 2.1453732397	-0.293876
+C	-1.3816829516	 0.5676361735	 2.188104376	 0.050122
+H	 0.5760244705	 1.3940630635	 1.2071933576	 0.291238
+H	-0.3638005179	-1.1388559529	 1.1822429773	 0.07508
+H	-1.5146240649	-0.1714440371	-1.0778755254	 0.070024
+H	-3.7973313433	-0.858163564	 0.1782471413	 0.102938
+H	-2.5827350146	-1.7765515623	 1.1162855145	 0.094997
+H	-3.6325172931	 0.6542709795	 2.3840267188	 0.070873
+H	-3.3879406684	 1.5668106956	-0.1899750182	 0.077091
+H	-0.9429367728	 2.819433645	 0.2372964967	 0.109728
+H	-2.3382401883	 3.3405718345	 1.216854667	 0.107345
+H	-1.1388298035	 0.2089680395	 3.1878071706	 0.079369
+19
+0 3244	2.4541365	2.1510426	1.6430865	2.6348	73.29	-0.22964	0.07095	0.30059	897.6622	0.160467	-422.552674	-422.545931	-422.544987	-422.583313	28.241
+O	 0.5591612444	 0.6425233222	 0.5431473295	-0.438217
+C	-0.6012585203	-0.0312462687	 0.9900650067	 0.156439
+C	-1.7303200593	 0.0414580074	-0.0506121783	-0.097045
+C	-2.8367779158	-0.7529257825	 0.6957813251	-0.25965
+C	-2.8292830332	 0.4652050786	 1.6471490238	-0.057496
+C	-2.5086356128	 1.3359585407	 0.4100260815	 0.156875
+O	-1.7741527321	 2.4729320463	 0.7940169751	-0.277207
+C	-1.1750471801	 2.152070765	 2.0598599623	-0.055733
+C	-1.3743126939	 0.636976612	 2.1851164352	-0.136956
+H	 1.2669704565	 0.4762244092	 1.1732221774	 0.281293
+H	-0.358084869	-1.0785282645	 1.2173912845	 0.065004
+H	-1.4565477716	-0.1589057975	-1.0855689886	 0.069227
+H	-3.7696173634	-0.8205618194	 0.1310925049	 0.102747
+H	-2.5741928081	-1.7376293212	 1.091318989	 0.094635
+H	-3.6453244503	 0.6935667113	 2.3329276525	 0.066673
+H	-3.3356406183	 1.622649533	-0.2401161462	 0.081589
+H	-0.1216811654	 2.4413670117	 2.0339437546	 0.101151
+H	-1.6805030754	 2.7035398651	 2.8659283457	 0.085759
+H	-1.1575419417	 0.2307784114	 3.1746840455	 0.060913
+19
+0 3245	2.8443361	1.8428541	1.5042864	2.4064	72.53	-0.23983	0.07167	0.3115	934.3855	0.16076	-422.556903	-422.550271	-422.549326	-422.58752	27.991
+O	 0.2249719863	-0.1166895668	 0.2750458714	-0.455219
+C	-0.9093590347	 0.4833349835	 0.849763833	 0.178768
+C	-2.2028866658	 0.0699282669	 0.1105717174	 0.012345
+O	-1.8959383536	 0.6268038983	-1.2118188283	-0.321372
+C	-2.1226797991	 1.9044061239	-0.5458537528	 0.078088
+C	-3.1915738651	 1.2487491514	 0.3614599473	-0.021965
+C	-3.1786179832	 1.923931357	 1.7351450194	-0.252615
+C	-1.805326881	 2.6672274884	 1.7487223371	-0.227815
+C	-1.0469923592	 2.019737674	 0.5801630178	-0.090657
+H	 0.0919986672	-0.0359820163	-0.6801866613	 0.282613
+H	-0.8969378893	 0.2383124741	 1.9149726015	 0.079783
+H	-2.4849696656	-0.9829781702	 0.0925398569	 0.082455
+H	-2.2952463487	 2.7384909023	-1.2253021342	 0.083107
+H	-4.1616223337	 1.084253983	-0.1067303548	 0.081671
+H	-4.0165449848	 2.6179859707	 1.8438616532	 0.105174
+H	-3.264063619	 1.1968369186	 2.5490243364	 0.10756
+H	-1.9470948639	 3.7398638206	 1.5754504852	 0.100845
+H	-1.2717380608	 2.5620474651	 2.6977263606	 0.105233
+H	-0.1006057761	 2.4894555154	 0.312402334	 0.072001
+19
+0 3246	3.4870043	1.3514467	1.2256699	0.5764	73.34	-0.23226	0.06937	0.30163	1063.1101	0.15887	-422.528551	-422.521036	-422.520092	-422.560178	30.07
+O	 0.5417266932	 0.1565223561	-0.1360016844	-0.440981
+C	-0.4761864623	 0.4237888917	 0.7839895405	 0.126869
+C	-1.9241909329	 0.2601247397	 0.4099001064	-0.085141
+C	-3.0574598704	 1.1298422984	 0.9613307505	-0.248337
+C	-3.3133994799	 0.8151840282	 2.4449915851	 0.103064
+C	-2.0308556525	 0.8715009284	 3.2946915999	-0.258251
+C	-1.8906043152	-0.5811252859	 2.7920600071	 0.070751
+O	-3.3479989209	-0.6296848034	 2.625492314	-0.296211
+C	-1.2722606492	-0.6961924846	 1.4109509149	-0.099268
+H	 0.2274152702	-0.5049159582	-0.7606959963	 0.283172
+H	-0.1780819603	 1.2663969409	 1.397497644	 0.104416
+H	-2.0889685522	-0.1293099735	-0.5917587436	 0.081173
+H	-2.8580342082	 2.2016839954	 0.832623546	 0.100295
+H	-3.975144172	 0.9061896745	 0.4073963715	 0.110636
+H	-4.2185021305	 1.3004621881	 2.8199488732	 0.074086
+H	-1.262831752	 1.6118309097	 3.0674687974	 0.101905
+H	-2.2593342151	 0.8920237746	 4.3612338075	 0.111338
+H	-1.5344785495	-1.3430838741	 3.4886820634	 0.077067
+H	-1.0470118801	-1.705071796	 1.0763400529	 0.083417
+19
+0 3247	3.5217494	1.38816	1.2540182	0.714	74.07	-0.22311	0.07831	0.30142	1049.5099	0.158825	-422.520322	-422.513063	-422.512118	-422.551486	29.905
+O	 0.4693914941	 0.35660269	 0.2067204543	-0.429986
+C	-0.8015766916	 0.1511015897	 0.7530010775	 0.018818
+C	-1.9759509053	 0.8590893877	 0.1022797159	 0.043803
+O	-3.117397043	 1.2340814487	 0.8313589468	-0.27329
+C	-4.0293191393	 0.1681723661	 1.0963827282	 0.133611
+C	-3.3283827861	-1.0050588099	 1.8299212406	-0.252592
+C	-2.8846367051	-1.4732969801	 0.4120280555	-0.053965
+C	-4.1945840794	-0.7981451363	-0.1119282666	-0.236243
+C	-1.7484950907	-0.6160924858	-0.1303372746	-0.071623
+H	 0.7823383519	 1.2182723423	 0.5031640987	 0.287352
+H	-0.8304150406	-0.0137583108	 1.8285448974	 0.090915
+H	-1.7356644846	 1.5698500563	-0.6834041161	 0.097787
+H	-4.9081514405	 0.6386763456	 1.538923746	 0.075492
+H	-2.5815781673	-0.765578858	 2.588723456	 0.101645
+H	-4.0605190235	-1.6977444137	 2.2530854405	 0.100985
+H	-2.7223453098	-2.5401284082	 0.2478289157	 0.067566
+H	-4.184530105	-0.3674474436	-1.1159056987	 0.099973
+H	-5.0754109116	-1.4317255389	 0.0176895613	 0.099224
+H	-1.3527859526	-0.9065740411	-1.0991192482	 0.100528
+19
+0 3248	2.3954307	1.9684574	1.5197937	2.2001	73.79	-0.2421	0.06587	0.30797	953.1596	0.157586	-422.519854	-422.512258	-422.511314	-422.551378	30.577
+C	 1.5652560657	-0.7283422586	-3.1413288574	-0.509851
+C	 0.6854691799	 0.1689688456	-2.3046353607	 0.289011
+C	 0.8928315892	 1.7064362589	-2.3745185917	-0.295801
+C	-0.6242671279	 1.9063841301	-2.1869707399	 0.104682
+O	-1.0219825408	 1.7186602518	-0.7995623134	-0.320954
+C	-1.0699536066	 0.2804985879	-0.977529616	 0.044659
+C	 0.3622774309	-0.2751610389	-0.8323677928	 0.115643
+O	 1.1227685172	 0.2232768994	 0.2297445426	-0.443392
+C	-0.8712598669	 0.40427409	-2.5087457857	-0.14823
+H	 2.5948867963	-0.7166555282	-2.7642054239	 0.129266
+H	 1.2153841394	-1.7667172756	-3.1176187229	 0.114341
+H	 1.5907784598	-0.4063429922	-4.1885286509	 0.112523
+H	 1.5603109171	 2.1709830208	-1.6425033553	 0.103113
+H	 1.1980354283	 2.0084404132	-3.3826472226	 0.101081
+H	-1.125215614	 2.7663731745	-2.6344841509	 0.082084
+H	-1.903594004	-0.1734045371	-0.4387377393	 0.07788
+H	 0.36070607	-1.3702036469	-0.773719005	 0.080551
+H	 0.791652212	 1.1198119896	 0.3824473181	 0.288258
+H	-1.5039082654	-0.0057770943	-3.2906404222	 0.075134
+19
+0 3249	2.4350761	1.9852308	1.5494096	2.1662	73.85	-0.24094	0.06934	0.31028	945.6303	0.15767	-422.523753	-422.516164	-422.51522	-422.555245	30.595
+C	 1.3535912562	-2.669595373	-0.9062659415	-0.49993
+C	 0.7411592926	-1.3824916245	-1.3786225022	 0.393873
+O	 1.5575324356	-0.7063896369	-2.3834765197	-0.355042
+C	 0.3777755953	-0.3061881006	-3.132704584	 0.105571
+C	-0.2478096207	 0.9842041835	-2.5627357604	-0.251422
+C	-0.8398360273	 0.1512572493	-1.3998857769	-0.102385
+C	 0.2612577628	-0.2940285992	-0.3822164479	 0.128443
+O	 1.2285078337	 0.6210807848	 0.0449226007	-0.446724
+C	-0.5468280011	-1.164268838	-2.2239727441	-0.15256
+H	 0.685847177	-3.1763115155	-0.202248104	 0.120234
+H	 1.5538191843	-3.3404540329	-1.7467472168	 0.125419
+H	 2.300658611	-2.4688130255	-0.3931974886	 0.135113
+H	 0.5299558797	-0.4161374403	-4.2080801343	 0.079851
+H	 0.4264378551	 1.8099703013	-2.317234814	 0.103621
+H	-1.0396427733	 1.3490809701	-3.2247396453	 0.104259
+H	-1.8123316469	 0.433982662	-0.9988025093	 0.068187
+H	-0.2014049023	-0.7418462638	 0.5042353609	 0.081915
+H	 1.8428468406	 0.7050738998	-0.6985220388	 0.286987
+H	-1.2581538323	-1.9229405707	-2.5373388237	 0.07459
+19
+0 3250	2.6140143	1.9103308	1.3413775	1.9668	73.92	-0.23939	0.06015	0.29954	985.0218	0.157156	-422.517671	-422.509988	-422.509044	-422.549161	31.066
+C	 0.9346151169	 0.8513701554	 0.2390604837	-0.442885
+C	 0.8563576267	-0.6219294119	-0.1540843201	-0.069251
+C	 1.5386461453	-1.5391297394	 0.8983160259	 0.109515
+O	 1.2444994255	-2.9333882025	 0.6761083524	-0.309072
+C	 2.2729984584	-3.0198386429	-0.3376283726	 0.103263
+C	 1.7772337679	-2.475516688	-1.6969046765	-0.287137
+C	 1.9616887892	-1.0362334198	-1.1754643397	 0.398141
+O	 2.3770492408	-0.1414340242	-2.1551117947	-0.478277
+C	 2.8274280492	-1.6160940803	 0.0350123705	-0.192404
+H	 0.2635396421	 1.0651798054	 1.0767403259	 0.127039
+H	 1.9471077539	 1.1350440245	 0.5557459399	 0.114699
+H	 0.6426600278	 1.5030421819	-0.5915332168	 0.124469
+H	-0.1699495347	-0.8985542116	-0.4163031465	 0.076898
+H	 1.4720474697	-1.2610427716	 1.9527531896	 0.074848
+H	 2.8095047726	-3.9686814718	-0.3002401505	 0.080555
+H	 2.5204293275	-2.6660263151	-2.4779411132	 0.110541
+H	 0.7867158759	-2.7884212057	-2.0373922268	 0.102576
+H	 2.4744690957	 0.7311611069	-1.7591592356	 0.281316
+H	 3.8436703696	-1.3609455393	 0.3221917151	 0.075166
+19
+0 3251	2.3155433	1.9581905	1.4761138	2.8806	73.72	-0.24388	0.06378	0.30766000000000004	961.1588	0.157531	-422.527197	-422.519377	-422.518433	-422.558845	31.519
+O	-0.4516320805	 0.7090059368	 0.6932091718	-0.435497
+C	-1.781687086	 0.2979604526	 0.5194959554	 0.117429
+C	-2.8994359138	 0.7762869396	 1.484324609	-0.08509
+C	-2.5658460477	 0.5254468192	 2.9737550841	-0.243704
+C	-2.8791012477	-0.9800318764	 2.7957185753	-0.028831
+C	-1.7461184022	-1.7603948022	 2.0790129197	-0.317319
+C	-2.1938649015	-1.1762274224	 0.7220712767	 0.381889
+O	-2.0646225014	-1.9438279487	-0.4320137595	-0.483699
+C	-3.5347978974	-0.6596738601	 1.4022226929	-0.133288
+H	-0.1976670386	 0.5365395134	 1.6056638232	 0.281315
+H	-2.052005629	 0.5666612034	-0.5066531923	 0.100878
+H	-3.4096845033	 1.7034599723	 1.2251144484	 0.068946
+H	-1.5695295273	 0.8057934752	 3.3402317313	 0.079761
+H	-3.3062902372	 1.0047719697	 3.6199463602	 0.106288
+H	-3.389804438	-1.4911232176	 3.6116019822	 0.068673
+H	-0.7083951999	-1.6036655972	 2.3977565945	 0.088769
+H	-1.9485975783	-2.8379516786	 2.1055985297	 0.091786
+H	-2.2846562463	-2.8577654627	-0.2225087397	 0.275404
+H	-4.5476149238	-0.8980539265	 1.0895329469	 0.066289
+19
+0 3252	2.3255631	1.736269	1.5141471	2.7054	74.26	-0.23285	0.04819	0.28104	992.3354	0.156825	-422.512438	-422.504389	-422.503445	-422.544486	31.43
+C	-2.6872173318	 0.1887529462	 3.8569254094	-0.537184
+C	-3.0383526909	 0.0452168223	 2.4052697904	 0.305658
+C	-4.3573648615	-0.5328461647	 1.8014728832	 0.058619
+C	-4.5845042566	 0.7821408621	 1.0247591302	-0.24927
+C	-3.1099597068	 1.1814523811	 1.2931264385	-0.151282
+C	-2.1035180759	 0.3679877418	 0.4335397071	 0.12639
+O	-0.7733666823	 0.8408542982	 0.5156552748	-0.434848
+C	-2.367032154	-0.871706294	 1.3305618706	 0.012155
+O	-3.625762219	-1.5003710521	 1.0154892639	-0.303721
+H	-2.7376963541	-0.7772271549	 4.3721211276	 0.131265
+H	-1.6721348881	 0.5818232691	 3.9908485816	 0.113653
+H	-3.3724414843	 0.8762334096	 4.3661737344	 0.125273
+H	-5.1827395644	-0.9925240663	 2.3497444766	 0.076353
+H	-4.9203263073	 0.6940168296	-0.0120867541	 0.105512
+H	-5.2684589171	 1.4384437285	 1.5734315957	 0.103281
+H	-2.869936587	 2.2341039817	 1.4531778069	 0.068722
+H	-2.3256962944	 0.2487790003	-0.6299514169	 0.091321
+H	-0.5727201416	 1.0348916689	 1.4380883603	 0.280839
+H	-1.552616213	-1.5861955074	 1.4800944595	 0.077267
+19
+0 3253	2.3573838	1.7406927	1.5374013	0.8184	74.42	-0.23955	0.06353	0.30308	989.0597	0.157114	-422.51363	-422.5058	-422.504856	-422.545369	31.175
+C	 2.1061395442	 1.4213684789	 0.029631427	-0.414084
+C	 1.5237593815	 0.0114884249	 0.0032726531	-0.002319
+C	 2.1610050419	-0.8766966425	-1.1077724911	-0.086032
+C	 1.4562788773	-2.2527778045	-1.2545146686	-0.254516
+C	 2.1160445226	-2.7286312387	 0.0609845837	 0.016651
+O	 1.4726561313	-2.1577542441	 1.2210795213	-0.304912
+C	 2.1683800879	-0.9011473233	 1.0808617823	 0.01786
+C	 3.1032360857	-1.5095757746	-0.0217464331	 0.355997
+O	 4.4739318265	-1.4895344217	-0.1264492151	-0.475521
+H	 1.781965916	 1.9656226656	 0.9233508262	 0.114614
+H	 3.2022394715	 1.3952275176	 0.0326967246	 0.126323
+H	 1.7918103168	 1.9931309059	-0.8496399513	 0.117467
+H	 0.4298797244	 0.0341742413	 0.0266371013	 0.07306
+H	 2.52531124	-0.3794218721	-2.0067810652	 0.072003
+H	 0.3640965736	-2.2726471039	-1.2906019967	 0.102732
+H	 1.8614132927	-2.8088889179	-2.1063815489	 0.104388
+H	 2.3605269557	-3.7838244704	 0.2008471819	 0.075594
+H	 2.4542737944	-0.4715507539	 2.0449551886	 0.071524
+H	 4.850115056	-1.9233742166	 0.6487403199	 0.28917
+19
+0 3254	2.3408059	1.6986321	1.5212113	2.319	74.17	-0.23789	0.0666	0.30449	987.492	0.157441	-422.520393	-422.512502	-422.511558	-422.552184	31.64
+O	-1.6163190627	 0.6180991229	 1.3093286861	-0.442991
+C	-2.8357272802	-0.0928097238	 1.2206591529	 0.144739
+C	-2.6469569769	-1.5619965279	 0.7575276677	-0.104139
+C	-3.9695844423	-2.2915859345	 0.4064492268	-0.237972
+C	-4.3034353544	-2.4600136982	 1.910091844	-0.114823
+C	-4.7990034242	-1.1433095308	 2.5586930577	-0.23801
+C	-3.3568572348	-0.5764219291	 2.6004141635	-0.147796
+C	-2.8160971939	-2.0244461138	 2.2446918644	 0.378903
+O	-1.8286591358	-2.7455193346	 2.8853817388	-0.479888
+H	-0.9907130357	 0.0729916615	 1.8011239649	 0.283212
+H	-3.506418101	 0.5364395731	 0.6273760532	 0.078702
+H	-1.7633369375	-1.7597901555	 0.1495156834	 0.07301
+H	-4.6946971951	-1.7532154519	-0.2124384769	 0.093517
+H	-3.7611237432	-3.2582321347	-0.0601834027	 0.106888
+H	-4.7693257409	-3.3938322742	 2.2271823893	 0.064451
+H	-5.5488769843	-0.5662940181	 2.0078532784	 0.095009
+H	-5.1746418099	-1.3194412106	 3.5712775154	 0.097454
+H	-3.0531623187	 0.0251594907	 3.4592356859	 0.065803
+H	-2.1140476885	-2.9311351605	 3.7874047771	 0.283931
+19
+0 3255	3.1117769	1.7215589	1.6900822	1.7795	72.49	-0.25142	0.08248	0.3339	912.4725	0.160251	-422.566853	-422.560166	-422.559222	-422.597563	27.759
+C	-0.1189311936	-0.1305679126	-0.1688700458	-0.419778
+C	 1.3720592897	 0.0576575699	 0.0599009087	 0.018405
+C	 1.994013553	 1.4636679101	 0.3210641136	-0.11357
+C	 1.2108882116	 2.2522033673	 1.3983549647	-0.240223
+C	 1.6657160976	 1.4776720575	 2.649776941	 0.172313
+O	 1.245998225	 0.1192471839	 2.5225556011	-0.276408
+C	 2.0013499456	-0.3757727122	 1.4057069865	 0.051681
+C	 3.0644345291	 0.7655733905	 1.2499862618	 0.075084
+O	 3.0736018706	 1.4326153314	 2.4935882596	-0.242462
+H	-0.6984133649	 0.1991938054	 0.69685312	 0.129626
+H	-0.4608051732	 0.4270991708	-1.0474904196	 0.113003
+H	-0.3530575747	-1.187690424	-0.3352477905	 0.115589
+H	 1.9396227612	-0.4221585952	-0.7479072937	 0.072167
+H	 2.3145000947	 2.0617966896	-0.5317080221	 0.068543
+H	 1.5485761201	 3.2903073008	 1.4607657263	 0.108469
+H	 0.1287395828	 2.2403706527	 1.2589136592	 0.108999
+H	 1.3885849544	 1.8580194008	 3.6317477566	 0.091957
+H	 2.2670981709	-1.4172444197	 1.5927610548	 0.075999
+H	 4.0658502902	 0.5503719631	 0.888830088	 0.090605
+19
+0 3256	3.3605346	1.6244734	1.5615396	2.0439	73.15	-0.24354	0.09176	0.3353	947.8582	0.159783	-422.564312	-422.557518	-422.556574	-422.595107	28.063
+C	 3.1991853133	 0.9935875235	-0.0338353423	-0.423345
+C	 2.8085975209	-0.479820408	-0.0265013159	-0.00213
+C	 1.6886183989	-0.8645717663	-1.029656422	 0.09121
+O	 1.6351676675	-2.2983245095	-1.1499887705	-0.27841
+C	 0.9830276243	-2.7201195122	 0.0415086814	 0.179488
+C	-0.2561502787	-1.8197888215	 0.1053330705	-0.251078
+C	 0.6080036788	-0.5697164138	 0.0745184637	-0.11105
+C	 1.7856311028	-0.8798675821	 1.0699282365	 0.091229
+O	 1.7425550832	-2.3152676144	 1.1737905626	-0.278414
+H	 3.8360610505	 1.2319429751	 0.8246491382	 0.121582
+H	 3.7556929897	 1.2444168481	-0.9431159737	 0.121593
+H	 2.3261869319	 1.6538574954	 0.0105104722	 0.114137
+H	 3.6882973241	-1.1269758564	-0.0718566401	 0.082998
+H	 1.6504576549	-0.4159877451	-2.0244474521	 0.073756
+H	 0.8814735482	-3.8034105884	 0.0383023797	 0.092061
+H	-0.9050118774	-1.9340358269	-0.765316514	 0.10983
+H	-0.8220333257	-1.9471283669	 1.0303552702	 0.10983
+H	 0.1519848832	 0.4151003857	 0.1027718611	 0.082962
+H	 1.8396542796	-0.4458433962	 2.0704285147	 0.073751
+19
+0 3257	3.0033299	1.7281623	1.6901709	1.8742	72.43	-0.24491	0.06819	0.3131	902.2103	0.16092	-422.573851	-422.567196	-422.566252	-422.604441	28.011
+O	 0.495805497	 0.238402354	-0.0639751007	-0.427943
+C	-0.6516079324	 0.6081263314	 0.6683529684	 0.131335
+C	-1.9875186944	 0.1377840022	 0.0612194995	-0.099343
+C	-1.9119399157	-1.3360354912	-0.4041505476	-0.218389
+C	-2.0012409098	-2.0677399997	 0.9521215028	 0.059381
+C	-0.7810271065	-1.6758950319	 1.8146303564	-0.215842
+C	-1.0189228476	-0.1562089967	 1.969785143	-0.130107
+C	-2.5269544414	-0.0706833581	 1.5263195847	 0.108899
+O	-3.0736164259	-1.3694949223	 1.6056155947	-0.255273
+H	 1.2736488259	 0.530102624	 0.422029563	 0.28407
+H	-0.6696603178	 1.693468596	 0.8432248288	 0.063917
+H	-2.5025633287	 0.8021517901	-0.6322756327	 0.066318
+H	-2.7773067788	-1.5900886426	-1.0214932223	 0.100558
+H	-0.9981035932	-1.5533638969	-0.959669794	 0.119381
+H	-2.2324142753	-3.1320041277	 0.9073694147	 0.072667
+H	-0.8269632567	-2.1807022377	 2.7828339968	 0.100223
+H	 0.1745825256	-1.9016529667	 1.3358469146	 0.103677
+H	-0.7009542972	 0.2575941622	 2.9275833232	 0.059472
+H	-3.1880939271	 0.6664505517	 1.9754577465	 0.076999
+19
+0 3258	3.047576	1.7268993	1.7090347	2.7037	73.26	-0.2347	0.06962	0.30432	903.2422	0.160422	-422.566366	-422.559629	-422.558685	-422.597035	28.205
+O	 0.4446057842	-0.1312698987	 0.4640315514	-0.426881
+C	-0.5304994803	 0.6799086191	 1.0651013387	 0.144173
+C	-1.6240821235	 0.0623579191	 1.9813782628	-0.115201
+C	-2.1414099148	-1.2536417021	 1.3455250999	-0.223539
+C	-3.0113379677	-0.7018296849	 0.1989975259	 0.092748
+C	-3.8516896285	 0.3730143024	 0.9072377405	-0.227001
+C	-2.6243694521	 1.1366764028	 1.3936610061	-0.063893
+C	-1.6728176857	 1.147798664	 0.1439885716	 0.074019
+O	-2.1698877224	 0.0795504903	-0.6656520196	-0.273034
+H	 1.1183763892	-0.3316744429	 1.1213231756	 0.283063
+H	-0.0833205394	 1.5593667478	 1.5530740931	 0.061627
+H	-1.4423146307	 0.0126711612	 3.0562687347	 0.05636
+H	-1.3225385938	-1.8753005059	 0.9773555485	 0.113417
+H	-2.7444788849	-1.8380383997	 2.0478280952	 0.090421
+H	-3.5331557053	-1.4400454395	-0.4102425705	 0.072751
+H	-4.473371451	 0.9424470824	 0.211435814	 0.103613
+H	-4.4695847568	-0.022688395	 1.7179604047	 0.096963
+H	-2.7529683069	 2.0685291667	 1.9395013056	 0.069469
+H	-1.5315863496	 2.028920793	-0.4848227381	 0.070926
+19
+0 3259	2.8608942	1.895535	1.6270397	1.7514	72.73	-0.2524	0.08916	0.34156000000000003	915.0465	0.159989	-422.567414	-422.560685	-422.55974	-422.598115	27.91
+C	 2.0980658737	-0.8459203134	-1.2213112625	-0.41949
+C	 1.5218333906	-0.237307211	 0.0568888784	 0.009949
+C	 1.8196682396	 1.2799000263	 0.2132277035	-0.088245
+C	 0.9377118991	 1.9035012732	 1.3245121965	-0.263489
+C	 1.882867756	 1.2378644194	 2.3459583443	 0.074077
+O	 1.605894668	-0.1633636465	 2.4722709742	-0.277629
+C	 2.2360020452	-0.743928411	 1.3331072112	 0.159794
+O	 3.5036334156	-0.1109199412	 1.2655126132	-0.240443
+C	 3.0082766809	 1.2097584397	 1.2506892208	 0.072176
+H	 1.9273224041	-1.9275282694	-1.2570745322	 0.113325
+H	 1.6291172044	-0.4050419844	-2.1068264574	 0.114569
+H	 3.1760043387	-0.6723435063	-1.2831144974	 0.132351
+H	 0.4485671176	-0.4385501475	 0.1249677305	 0.079953
+H	 1.9476157718	 1.807542399	-0.7323209073	 0.067514
+H	 1.0217299122	 2.9945745648	 1.3559954224	 0.09986
+H	-0.1151756152	 1.6149617385	 1.3667823976	 0.105162
+H	 2.0300025837	 1.6626582313	 3.3392197843	 0.080514
+H	 2.3385092508	-1.819362215	 1.4747438181	 0.089658
+H	 3.8030171432	 1.9503318334	 1.2472960918	 0.090394
+19
+0 3260	2.8344615	1.8875349	1.6193125	0.6179	72.56	-0.24117	0.07668	0.31784999999999997	916.5077	0.159881	-422.565923	-422.559161	-422.558217	-422.596676	27.977
+C	 2.0751741711	 1.412217736	 0.0025697656	-0.420425
+C	 1.5315075182	-0.0152304314	 0.0682290415	 0.016293
+C	 2.020038844	-0.9105115399	-1.0940176387	 0.053584
+O	 1.2178927575	-2.110988464	-1.1788517307	-0.305562
+C	 2.026701033	-2.7187640046	-0.1446563131	 0.063236
+C	 1.544572259	-2.2593604	 1.2430264381	-0.235608
+C	 2.1255480508	-0.8255859649	 1.2537608087	 0.042538
+O	 3.480498585	-1.0565448466	 0.8150492937	-0.258438
+C	 3.1798333968	-1.6960837801	-0.4019865245	 0.056191
+H	 1.7396412375	 1.9998889423	 0.8635445512	 0.114624
+H	 3.1688499077	 1.4124250825	 0.0020064239	 0.133575
+H	 1.7319615272	 1.9217411975	-0.9038183503	 0.11438
+H	 0.4378999037	-0.0148333967	 0.0860206914	 0.083349
+H	 2.1397677919	-0.4132762558	-2.0586076511	 0.07626
+H	 2.1519561954	-3.7930938339	-0.2852873804	 0.080754
+H	 0.4569338562	-2.3078594319	 1.3261790832	 0.110967
+H	 2.0004810112	-2.85192058	 2.0418761937	 0.10604
+H	 2.1402911514	-0.3166492747	 2.2177749679	 0.076822
+H	 4.0740922223	-1.9811009637	-0.9492849	 0.091418
+19
+0 3261	2.81672	1.8795937	1.6098257	1.8467	72.48	-0.24685	0.08461	0.33146000000000003	908.9921	0.160987	-422.574079	-422.567547	-422.566603	-422.604535	27.83
+O	 0.4471044623	 0.6120135637	 0.3846741975	-0.449662
+C	-0.9074806916	 0.7288574017	 0.7715870656	 0.162759
+C	-1.1648675996	 0.1471357275	 2.1869061933	-0.098777
+C	-2.6723873961	-0.0025994733	 2.4986071376	-0.250502
+C	-2.7118138513	 1.5191043091	 2.7795994186	-0.060522
+C	-2.7537220735	 2.3257765361	 1.4620029785	-0.22855
+C	-1.2880814831	 2.2094992448	 1.0029286889	 0.015913
+O	-0.559696196	 2.4861884355	 2.2171510074	-0.276349
+C	-1.1568239141	 1.4783845517	 3.0196924784	 0.10673
+H	 0.9432106519	 1.1834070478	 0.9850118346	 0.283105
+H	-1.502010691	 0.2406015971	-0.0052101483	 0.083001
+H	-0.4787204243	-0.6671092043	 2.4191373607	 0.074002
+H	-3.3197044298	-0.3842120917	 1.7025909902	 0.094324
+H	-2.8415393772	-0.5935104114	 3.4030794008	 0.102038
+H	-3.3771065635	 1.8965614933	 3.5558876764	 0.068808
+H	-3.47008273	 1.9270588843	 0.7379726518	 0.100981
+H	-2.9926470537	 3.3763109375	 1.6468769668	 0.109772
+H	-0.9628400795	 2.8887797732	 0.2152240874	 0.08126
+H	-0.75910432	 1.4931371074	 4.0318431137	 0.081671
+19
+0 3262	2.5285608	2.074935	1.7700232	2.0032	72.68	-0.24151	0.0826	0.32411	877.5449	0.160835	-422.566805	-422.560284	-422.55934	-422.597216	27.894
+O	 0.4718099798	 0.5069261112	 0.815827465	-0.452893
+C	-0.8267136198	 0.9381271679	 0.47600551	 0.162054
+C	-1.8526678154	-0.2031214729	 0.1558238595	-0.079497
+C	-1.7553139414	-1.3097927088	 1.2324430825	-0.245796
+C	-2.5407198319	-0.3516067113	 2.1514530728	 0.108312
+O	-1.6741890085	 0.6727225131	 2.6861676025	-0.304363
+C	-1.5464785695	 1.6552609724	 1.6367775385	 0.039932
+C	-2.9753505665	 1.8199473306	 1.1161019131	-0.24446
+C	-3.1528279068	 0.3241551534	 0.8787460989	-0.050193
+H	 0.4255315837	 0.2168148544	 1.7356276551	 0.286427
+H	-0.7146995501	 1.6049212997	-0.3852710283	 0.082587
+H	-1.8804179358	-0.4873652062	-0.8962655019	 0.065627
+H	-2.3580750317	-2.1835770393	 0.967030263	 0.099108
+H	-0.7653020489	-1.6400692364	 1.5553516788	 0.097779
+H	-3.1578262769	-0.7396707586	 2.9639963795	 0.073716
+H	-1.0312979778	 2.5260777018	 2.0427881134	 0.078318
+H	-3.654045177	 2.2298355446	 1.8687135289	 0.106876
+H	-3.0320238301	 2.4222547963	 0.2049395213	 0.103408
+H	-4.1122310353	-0.0560718418	 0.5334159677	 0.073056
+19
+0 3263	2.5308078	2.0636027	1.7767669	2.5025	72.18	-0.23948	0.07374	0.31322	875.8372	0.161277	-422.572992	-422.566618	-422.565674	-422.603281	27.434
+O	 0.2753426121	 0.2986435139	 0.4813465725	-0.455958
+C	-0.9953963759	 0.1797072241	 1.0707486187	 0.158843
+C	-2.0962930417	 0.8554189565	 0.2103900106	 0.051717
+O	-1.5776571424	 2.153900168	-0.1852837164	-0.318983
+C	-2.0498947829	 2.685427282	 1.089957448	 0.102862
+C	-0.9918694583	 2.4283614185	 2.1776644283	-0.236462
+C	-1.183157221	 0.913313636	 2.4323815345	-0.068224
+C	-2.7145403824	 0.8257428557	 2.5993271556	-0.242592
+C	-3.0432655526	 1.4913880155	 1.2596404837	-0.065025
+H	 0.2527566614	 1.1374960673	-0.0023072096	 0.286469
+H	-1.1999275042	-0.8896872661	 1.1988118028	 0.078936
+H	-2.4581756654	 0.2773424235	-0.6417265323	 0.079246
+H	-2.4028400232	 3.7132673116	 0.9913537563	 0.079633
+H	 0.0101419479	 2.6971040128	 1.8334923723	 0.109003
+H	-1.2094991676	 3.0046468904	 3.08399852	 0.09757
+H	-0.5760406078	 0.5032125707	 3.2400629941	 0.066937
+H	-3.0849418159	-0.2024620179	 2.6648730733	 0.100488
+H	-3.0903361817	 1.383870004	 3.4623296413	 0.099455
+H	-4.0807560985	 1.6551394734	 0.9767459265	 0.076085
+19
+0 3264	2.8146885	1.7548718	1.3970844	2.1622	74.01	-0.23823	0.0769	0.31513	982.298	0.158215	-422.529829	-422.522414	-422.52147	-422.561144	30.277
+C	-3.4284603914	 2.1042926092	 0.0489298685	-0.511957
+C	-2.6309593742	 1.1651668034	 0.9165794594	 0.320769
+C	-3.0756670009	 0.675710005	 2.3084232257	-0.285786
+C	-1.6135490392	 0.2026639545	 2.3995931234	 0.063683
+O	-1.5850749284	-0.8698742393	 1.4296176513	-0.290441
+C	-1.8586457652	-0.0597945902	 0.2677385356	-0.027844
+C	-0.5738400005	 0.8036794353	 0.2186552827	 0.184326
+O	 0.6594033094	 0.1524874731	 0.2318846415	-0.45557
+C	-1.174919133	 1.4230640142	 1.4944248418	-0.176045
+H	-3.685879369	 3.0199625709	 0.5917462947	 0.121583
+H	-2.8807555743	 2.3958462562	-0.8534799351	 0.123258
+H	-4.3653731894	 1.6343459803	-0.272866273	 0.123792
+H	-3.285768839	 1.5237735255	 2.9665027671	 0.100801
+H	-3.852364065	-0.0889774473	 2.398461413	 0.100261
+H	-1.1185276531	-0.0941774258	 3.3220077536	 0.082667
+H	-2.2310115126	-0.666868149	-0.5563737258	 0.077376
+H	-0.5753289207	 1.5226529841	-0.6040834176	 0.089873
+H	 0.5297685528	-0.6252616571	 0.7917393465	 0.285891
+H	-0.8483380865	 2.3498974469	 1.9620444467	 0.073365
+19
+0 3265	2.5403712	1.9433746	1.4419487	2.0137	74.16	-0.23702	0.06951	0.30653	959.826	0.157754	-422.528976	-422.521401	-422.520457	-422.560358	30.742
+C	 0.8712836213	 2.8843512737	 2.4384639009	-0.516957
+C	-0.5279763436	 2.3972954591	 2.2291640153	 0.4878
+O	-1.5483954022	 3.0524992515	 3.0024513244	-0.330883
+C	-2.3901747353	 1.9374165928	 2.5959629688	 0.056736
+C	-2.6159887688	 2.2734898066	 1.1048759571	-0.222735
+C	-1.1263736856	 2.1122078244	 0.7518124939	-0.142757
+C	-0.9219892161	 0.6053849575	 1.0236573763	 0.126587
+O	 0.4102932198	 0.2194389724	 0.7379640417	-0.445025
+C	-1.1345681288	 0.9920880685	 2.5007735798	-0.172059
+H	 1.1437324272	 2.8355231102	 3.4973516993	 0.121702
+H	 1.5657836709	 2.2719406968	 1.8600018945	 0.142465
+H	 0.962779061	 3.9259524233	 2.1109728345	 0.125287
+H	-3.2365895457	 1.7579238157	 3.2572785773	 0.078693
+H	-3.2613047928	 1.5742946224	 0.5647899287	 0.095039
+H	-3.0015025002	 3.2889261976	 0.9994638109	 0.109267
+H	-0.7273899508	 2.5749954911	-0.1488106692	 0.073158
+H	-1.6411525484	-0.078647204	 0.5522233426	 0.061765
+H	 0.5820732329	-0.6155625585	 1.18525064	 0.283185
+H	-0.8751198347	 0.3641936189	 3.3534859831	 0.068732
+19
+0 3266	2.7919981	1.7481095	1.3915015	0.8627	74.44	-0.23098	0.06852	0.2995	990.2239	0.157497	-422.52382	-422.516152	-422.515208	-422.555367	30.903
+C	-0.2148245484	 0.1884907882	-0.0349718629	-0.433415
+C	 1.2913147685	 0.0091818121	 0.0340633668	 0.026665
+C	 1.9231523611	-0.8160353321	 1.1883018307	-0.015441
+O	 1.2414967467	-2.0736198923	 1.1067300711	-0.266786
+C	 1.7362977105	-2.4561608301	-0.1915562771	 0.068587
+C	 3.2467756536	-2.6418690725	 0.0741135049	-0.312018
+C	 3.1747354593	-1.1136203599	 0.2369966929	 0.382707
+O	 4.2481512391	-0.2378477758	 0.2103208399	-0.479771
+C	 2.0323506328	-1.0299324273	-0.8279748269	-0.125506
+H	-0.5615196529	 0.9050026251	 0.7182631197	 0.111684
+H	-0.5193653827	 0.5683941217	-1.0162510664	 0.111813
+H	-0.7267672442	-0.7606458013	 0.1412815148	 0.129812
+H	 1.8216922008	 0.9624402594	-0.0582422503	 0.086686
+H	 2.0009480257	-0.4701597829	 2.2195731081	 0.069571
+H	 1.1054805552	-3.212743954	-0.6516595553	 0.083799
+H	 3.5260474345	-3.2820430274	 0.9151659023	 0.095861
+H	 3.8068387301	-2.900279241	-0.828375436	 0.10588
+H	 4.7013719212	-0.2825572192	 1.0596674818	 0.284526
+H	 2.2066285292	-0.9586066007	-1.9002749281	 0.075347
+19
+0 3267	2.6108958	1.9337871	1.4619168	2.2127	74.17	-0.23212	0.06503	0.29715	945.7545	0.158958	-422.536315	-422.529146	-422.528202	-422.567187	30.281
+O	 0.2799654346	 0.4292429529	-0.072535679	-0.454464
+C	-0.8788896291	 0.5698641052	 0.748632376	 0.114326
+C	-2.0540279077	-0.2029812825	 0.1126256085	-0.127919
+C	-3.1886134225	 0.0969937133	 1.1074318592	-0.220877
+C	-3.2018318683	 1.6199200475	 0.8311288699	-0.062198
+C	-3.6218413282	 1.6572183882	-0.6677261638	-0.284187
+C	-2.2431087124	 1.0449027427	-0.8841991348	 0.459744
+O	-1.6685508797	 1.0128334143	-2.1380780465	-0.493144
+C	-1.6943205899	 1.8192692587	 0.3773759174	-0.142072
+H	 0.8850004123	 1.1477900604	 0.1403216374	 0.286363
+H	-0.6362109001	 0.3594918509	 1.7991959512	 0.059948
+H	-1.9134302093	-1.2173067809	-0.2595711425	 0.06973
+H	-4.1400174803	-0.3786911841	 0.8546419377	 0.09824
+H	-2.9298709054	-0.1714748978	 2.1370070438	 0.092665
+H	-3.6672626613	 2.2771824909	 1.5628950961	 0.066557
+H	-4.5195327034	 1.1064388477	-0.9669170961	 0.090862
+H	-3.6518525993	 2.6736880136	-1.0703876155	 0.102169
+H	-0.7596160383	 0.7107023993	-2.0036247291	 0.281908
+H	-1.2856244119	 2.8296268198	 0.3431809699	 0.06235
+19
+0 3268	2.5750324	1.9079025	1.4468909	2.1928	73.97	-0.23883	0.06944	0.30827	960.9859	0.157869	-422.526025	-422.518423	-422.517478	-422.557468	30.666
+C	 1.2031146478	-0.1343989733	-3.3373324172	-0.524003
+C	 0.2367864885	-0.1384818428	-2.1852387604	 0.3363
+C	-1.3237496987	-0.1893104383	-2.4503253303	 0.011578
+C	-1.8778043261	 0.2617998532	-1.0832016076	-0.223211
+C	-0.6692626213	-0.298446661	-0.3109121237	-0.146439
+C	 0.4702401459	 0.6024397317	-0.8562323695	 0.069244
+O	 1.7661963545	 0.2627034879	-0.3993452856	-0.450941
+C	-0.2242693857	-1.3942649135	-1.3973139789	 0.070436
+O	-1.3198474057	-1.6389727856	-2.2859917485	-0.297307
+H	 0.949858404	-0.9216156137	-4.0547952231	 0.128293
+H	 1.1858240611	 0.82464839	-3.8683889342	 0.113479
+H	 2.2229112974	-0.3032430266	-2.9802376553	 0.137597
+H	-1.7868438122	 0.1485149628	-3.3771830239	 0.076844
+H	-1.9914859554	 1.3439744646	-0.9692990799	 0.095204
+H	-2.8269549129	-0.2335998154	-0.8707395012	 0.109668
+H	-0.7655133924	-0.515888178	 0.7521258931	 0.062437
+H	 0.3036120537	 1.68910779	-0.8163964969	 0.056938
+H	 1.8248344983	 0.4981671695	 0.5318144536	 0.284559
+H	 0.3685863091	-2.2623971815	-1.1204583305	 0.089325
+19
+0 3269	2.5815133	1.9153796	1.4602072	0.7088	74.27	-0.23122	0.06612	0.29734	957.6481	0.157667	-422.522144	-422.514521	-422.513577	-422.553588	30.773
+C	 0.0293596461	-1.6647874982	-2.3927218326	-0.521334
+C	 0.0899223524	-0.1818652683	-2.1507656777	 0.332664
+C	-1.0665472487	 0.7904018523	-2.6338202278	 0.029786
+C	-0.2695040815	 1.0746278776	-3.9261888579	-0.253525
+C	 0.9298340074	 0.8712507505	-2.9891076524	-0.103252
+C	 0.6248213453	 1.7362524319	-1.6967826545	 0.021263
+O	-0.7827666907	 1.9652341713	-1.8452234518	-0.272613
+C	 0.6243733504	 0.4380497455	-0.8488533419	 0.052193
+O	 1.8970943413	-0.1144084472	-0.5809290321	-0.440387
+H	-0.7572931211	-2.1296470603	-1.7863685127	 0.117735
+H	-0.1799635261	-1.8998590009	-3.4418031184	 0.116185
+H	 0.9816309949	-2.1304729046	-2.1220326972	 0.139152
+H	-2.1278361165	 0.5466520424	-2.6024381629	 0.075642
+H	-0.3387180335	 0.265837535	-4.6580239794	 0.102394
+H	-0.4386256998	 2.0432888261	-4.402723444	 0.09951
+H	 1.9593741457	 0.7232076355	-3.3025446615	 0.081392
+H	 1.1539481201	 2.6477006974	-1.4191025094	 0.071209
+H	-0.0229471465	 0.4500368162	 0.0388702198	 0.064563
+H	 2.3074851309	 0.4083437379	 0.1150477247	 0.287423
+19
+0 3270	2.6222667	1.8666934	1.4401233	0.6218	73.61	-0.23894	0.07551	0.31445	968.3914	0.157866	-422.526472	-422.518903	-422.517959	-422.557881	30.696
+C	-0.0874607672	 0.1139422094	 0.2718853316	-0.420603
+C	 1.3879961152	 0.1017030136	-0.1145493471	-0.037494
+C	 2.1656788174	 1.4370661298	 0.1101217075	-0.096281
+C	 3.5691496682	 1.0758771416	-0.4175241155	-0.217062
+C	 3.8095825639	 0.0285456848	 0.683588695	-0.024422
+O	 3.8107224132	 0.8667549256	 1.8791693203	-0.301518
+C	 2.4037754884	 0.9948062318	 1.6370472407	 0.00883
+C	 2.3078087721	-0.4172751243	 0.9940415397	 0.421789
+O	 2.0396961137	-1.6165238034	 1.6247285529	-0.489701
+H	-0.2498850233	 0.5726867419	 1.2526482409	 0.116773
+H	-0.675005508	 0.6758532059	-0.4612764296	 0.11276
+H	-0.4837205157	-0.9048306746	 0.3175056434	 0.129906
+H	 1.5174998795	-0.3463443333	-1.106162719	 0.06608
+H	 1.7247818247	 2.3961233243	-0.1525839871	 0.070956
+H	 3.5468316594	 0.6764680678	-1.4347815644	 0.098991
+H	 4.3072218954	 1.8781407997	-0.3498849709	 0.106732
+H	 4.6474451544	-0.6664222565	 0.628022697	 0.077565
+H	 1.8221217813	 1.4191992039	 2.4525066869	 0.086518
+H	 2.6254688874	-1.6933173678	 2.3873123476	 0.290181
+19
+0 3271	2.6056	1.8869266	1.4551522	2.3737	74.14	-0.23482	0.06104	0.29586	965.0113	0.157642	-422.522994	-422.515385	-422.51444	-422.554419	30.825
+C	 0.9524035995	-0.6402371444	-0.7216862675	-0.441469
+C	 0.800894647	 0.1789348682	 0.5549761543	-0.053719
+C	 1.4925119397	 1.5704324249	 0.5886078649	 0.064005
+O	 1.0966331753	 2.0631735652	 1.8795669901	-0.268739
+C	 1.8100892328	 1.0917341598	 2.6608462887	 0.041032
+C	 3.2825105878	 1.4190411661	 2.3318999607	-0.253073
+C	 2.8850293545	 0.895982408	 0.9439978247	-0.15563
+C	 1.8663499216	-0.1108181229	 1.6288467017	 0.38974
+O	 2.1643966599	-1.3470897334	 2.1738703256	-0.484936
+H	 0.6580144961	-1.6827796512	-0.5519821506	 0.117102
+H	 0.3110305532	-0.2487024098	-1.5176924401	 0.124406
+H	 1.9811538028	-0.6416135912	-1.0975491917	 0.114833
+H	-0.2421984481	 0.2012504189	 0.8872648841	 0.075156
+H	 1.3621030769	 2.3224787223	-0.1874053553	 0.079785
+H	 1.4033342661	 1.0040437676	 3.6666824126	 0.082909
+H	 3.5964904111	 2.4574993646	 2.4589226817	 0.098719
+H	 3.9791557538	 0.7310711247	 2.8166636159	 0.110169
+H	 3.5831353035	 0.6535409151	 0.1458677984	 0.073523
+H	 2.3779909266	-1.9551101927	 1.4575866719	 0.286186
+19
+0 3272	2.6103557	1.8743539	1.4639508	1.443	73.81	-0.23766	0.06109	0.29875	952.634	0.158713	-422.534006	-422.526589	-422.525645	-422.565189	30.652
+O	 0.3477357621	-0.0129439385	 0.4823591357	-0.4658
+C	-0.9086357943	 0.5435831946	 0.840513957	 0.083192
+C	-2.1686656576	 0.0048554141	 0.1084357936	-0.104276
+C	-3.262195995	 0.8727436371	 0.7710205358	-0.212856
+C	-2.731879788	 2.2138673513	 0.2088156757	-0.085074
+C	-2.9123967664	 1.9953376889	-1.3165731604	-0.247425
+C	-1.8131245528	 0.9385606021	-1.1337623191	-0.140787
+C	-1.2098691602	 1.8196518099	 0.0442230158	 0.426917
+O	-0.297350537	 2.8470372733	-0.0835147358	-0.492921
+H	 0.3119379946	-0.274768144	-0.4442648964	 0.284275
+H	-0.921474871	 0.5682874019	 1.9348042459	 0.078682
+H	-2.3373580931	-1.0656489986	-0.0007852983	 0.067437
+H	-4.2761879753	 0.6529423194	 0.425253751	 0.097597
+H	-3.2451556174	 0.8023013964	 1.8625099125	 0.097867
+H	-3.0238187719	 3.141048379	 0.7000471598	 0.07018
+H	-3.9024202693	 1.6992556389	-1.6780257549	 0.086718
+H	-2.5363787573	 2.8380382488	-1.9020004343	 0.111062
+H	-1.2419965826	 0.5189910006	-1.9621811357	 0.06101
+H	 0.5761027726	 2.4334439847	-0.0856926481	 0.284203
+19
+0 3273	3.1122501	1.8382551	1.5716014	2.3073	72.49	-0.25205	0.08653	0.33858	915.908	0.160634	-422.554651	-422.54809	-422.547146	-422.585303	27.481
+C	 2.1147508263	-0.8948042062	-1.4441208776	-0.444378
+C	 2.0677774241	-0.7456254408	 0.0772423023	 0.075666
+C	 1.2543861192	 0.4218944104	 0.706111456	-0.136617
+C	 1.9704633496	 1.6278371953	 0.0613012978	-0.20921
+C	 3.2708908888	 1.3232360415	 0.8245586438	 0.036333
+O	 2.7818198711	 1.5918382032	 2.1495133489	-0.24255
+C	 1.9289482171	 0.4620191743	 2.187306257	 0.166153
+O	 2.8770171261	-0.5911107054	 2.1720439923	-0.239777
+C	 3.3388994512	-0.3108607661	 0.8416152883	 0.012962
+H	 2.6195260022	-1.8307961102	-1.7052837095	 0.119211
+H	 1.1045750356	-0.9393219422	-1.865601664	 0.121206
+H	 2.6520203833	-0.0912553608	-1.9529887275	 0.120875
+H	 1.7589703042	-1.7029698931	 0.5033378503	 0.085697
+H	 0.1672802093	 0.3735071946	 0.6727292296	 0.06783
+H	 2.0083862654	 1.5787345978	-1.0258555352	 0.098203
+H	 1.5898884558	 2.603707611	 0.364213076	 0.108599
+H	 4.1855957308	 1.8751995876	 0.6213896279	 0.083989
+H	 1.3033826927	 0.4441170456	 3.0761872198	 0.095035
+H	 4.2969536372	-0.7880573265	 0.6449196839	 0.080775
+19
+0 3274	3.154843	1.8615117	1.5991106	0.0669	73.06	-0.23286	0.08867	0.32153	909.2649	0.160295	-422.554609	-422.548037	-422.547093	-422.585176	27.622
+C	-0.1228404459	 0.4110411781	-0.0055305106	-0.429373
+C	 1.3740875912	 0.1440876418	-0.1130652409	 0.061303
+C	 1.9102488768	-0.1178333392	-1.5384599298	 0.021439
+O	 1.4842549875	 1.0951821571	-2.1794537115	-0.264606
+C	 2.3559884871	 1.9732172117	-1.4447822745	 0.038211
+C	 3.6957887977	 1.4878157439	-2.0246421006	-0.197226
+C	 3.4960127908	 0.1218506017	-1.3451116278	 0.038042
+O	 3.5940755905	 0.5549145973	 0.0233866294	-0.266693
+C	 2.374348834	 1.3156543279	 0.0304960222	 0.020936
+H	-0.3787036933	 0.7495059561	 1.004237205	 0.111065
+H	-0.4510152379	 1.1673975478	-0.7198026477	 0.134378
+H	-0.693049061	-0.5047782381	-0.1970001859	 0.114385
+H	 1.6788968923	-0.6249584643	 0.6008600206	 0.081719
+H	 1.5838514021	-0.9931229016	-2.0969387414	 0.078668
+H	 2.0492425946	 3.0115564173	-1.5477627481	 0.083389
+H	 3.6615415846	 1.5079124164	-3.1144414573	 0.105852
+H	 4.5995467485	 1.965526375	-1.644942519	 0.106389
+H	 4.17459574	-0.7036432632	-1.5478814227	 0.082751
+H	 2.3242267905	 1.9773463142	 0.8931101404	 0.079369
+19
+0 3275	3.0690793	1.8532263	1.5953078	0.5533	72.69	-0.2355	0.06943	0.30493	900.0375	0.161372	-422.558915	-422.552498	-422.551554	-422.589236	27.61
+O	-0.4950866063	-0.170858712	 0.1843980379	-0.443021
+C	-1.8881886902	-0.0069869145	 0.354575386	 0.163273
+C	-2.6062981687	 0.2965458296	-0.9801467632	-0.102724
+C	-2.1499723594	-0.9537272641	-1.7696990553	-0.209516
+C	-2.9390710243	-1.9306143641	-0.8618706168	-0.067657
+C	-4.3631572073	-1.4508465355	-1.2294621881	-0.195808
+C	-4.1185307606	-0.0818451832	-0.5725220424	 0.071862
+O	-4.0036853852	-0.5431966396	 0.7924945483	-0.267186
+C	-2.7741693969	-1.2592402009	 0.5947220439	 0.010717
+H	-0.1144220459	-0.3381128021	 1.0515316608	 0.285843
+H	-2.1026527092	 0.7262048665	 1.1387357141	 0.074843
+H	-2.450154262	 1.2797333918	-1.420573129	 0.067741
+H	-2.4964538999	-0.9861230527	-2.8048199311	 0.086401
+H	-1.0682953124	-1.0702623692	-1.752042888	 0.123305
+H	-2.7185278664	-2.9944029231	-0.92918964	 0.064721
+H	-4.5312659796	-1.4512158109	-2.3086980994	 0.091768
+H	-5.1857903402	-1.9601369679	-0.7252244063	 0.101707
+H	-4.8722816623	 0.6997996608	-0.6472122535	 0.076194
+H	-2.5622875335	-1.9141644687	 1.4393827618	 0.067536
+19
+0 3276	3.0609404	1.853747	1.5896219	2.1045	72.79	-0.24293	0.07176	0.31469	898.8994	0.161335	-422.559489	-422.553072	-422.552127	-422.589803	27.634
+O	 0.7779089941	 0.4228801062	 0.6791951692	-0.454561
+C	-0.6256438209	 0.5685936365	 0.7791858716	 0.174349
+C	-1.0627783405	 2.046914199	 0.6540023036	-0.097309
+C	-0.2284531553	 2.6273311715	 1.8186741775	-0.19879
+C	-1.051889183	 1.8459459832	 2.8557893567	 0.070626
+O	-2.3120831795	 2.5138986578	 2.6519947404	-0.263438
+C	-2.5318035232	 2.006087842	 1.3271197512	 0.066459
+C	-2.7451451531	 0.5261440295	 1.7111135369	-0.205918
+C	-1.2807666238	 0.3959053291	 2.1812261224	-0.128026
+H	 0.9847170275	-0.5068143231	 0.813077252	 0.282148
+H	-1.1113788706	-0.0825507937	 0.0421167508	 0.062221
+H	-0.9864304007	 2.5147585299	-0.325881421	 0.068077
+H	 0.8237466536	 2.3637284552	 1.7359289417	 0.121305
+H	-0.3474431558	 3.6991631443	 1.9794226483	 0.097709
+H	-0.7694191798	 1.8713547102	 3.9065768332	 0.074617
+H	-3.3288416123	 2.5557429767	 0.8294399301	 0.076312
+H	-3.5000710833	 0.4548012286	 2.4944811538	 0.105895
+H	-2.9912694552	-0.1624633439	 0.8992048006	 0.090507
+H	-0.9957676783	-0.4729521988	 2.7740587509	 0.057816
+19
+0 3277	2.904706	1.3930957	1.1634368	0.3239	74.34	-0.22525	0.07632	0.30157	1117.1591	0.156409	-422.518281	-422.510055	-422.509111	-422.550433	32.472
+C	-2.985443203	 2.5388298682	-2.1569687285	-0.487377
+C	-2.6546668835	 2.0359716393	-0.770839941	 0.313656
+C	-2.939912254	 2.9064934547	 0.4438922684	-0.375431
+C	-3.7018506878	 1.6215405319	 0.2355765189	 0.06594
+O	-3.2820326112	 0.468020615	 0.9284198141	-0.259255
+C	-2.078973599	-0.0119892721	 0.3773722387	 0.037894
+C	-0.8019589021	 0.7603898692	 0.6135264978	 0.018244
+O	 0.4052805187	 0.0778890565	 0.4320403136	-0.423849
+C	-1.5807885294	 0.9681739684	-0.6617783987	-0.159598
+H	-3.1555018863	 1.70726091	-2.8502939705	 0.120999
+H	-3.8892157571	 3.1556768407	-2.1472892214	 0.116268
+H	-2.1719172762	 3.1516672857	-2.561461886	 0.124474
+H	-2.2298865485	 2.9707637754	 1.2591455412	 0.118569
+H	-3.4803419112	 3.8296153447	 0.2564464715	 0.109177
+H	-4.7702393872	 1.6333181111	 0.0448103791	 0.097391
+H	-2.0388302559	-1.0913538608	 0.2668088257	 0.101273
+H	-0.7909325212	 1.5405756439	 1.3725408557	 0.091675
+H	 0.5545385121	-0.4704725095	 1.210233358	 0.289031
+H	-1.1141620572	 0.6243506778	-1.5772296766	 0.100919
+19
+0 3278	2.8370475	1.4427395	1.1033527	0.5217	74.23	-0.23622	0.07397	0.31019	1125.7197	0.156277	-422.541011	-422.53249	-422.531546	-422.573753	32.609
+C	-2.177379047	 3.7043465467	 0.6813310222	-0.482931
+C	-2.2830866275	 2.4191973	 1.4561400416	 0.411851
+O	-3.2236076405	 2.4077204531	 2.5498076511	-0.303324
+C	-3.4490114522	 1.5160633263	 1.4511272497	-0.015476
+C	-3.043586697	 0.0769884133	 1.7479271207	-0.265766
+C	-1.5262544853	 0.1480060804	 1.9318745843	-0.107355
+C	-0.6948554173	 0.5416588347	 0.7394218319	 0.144746
+O	 0.6239894866	 0.108076714	 0.5843404852	-0.437364
+C	-1.0619638271	 1.5931411466	 1.7565159515	-0.190554
+H	-1.5819064596	 4.4385737719	 1.2349835302	 0.127624
+H	-1.6865505539	 3.5357495963	-0.2826576664	 0.126476
+H	-3.1668322566	 4.133596372	 0.5059912837	 0.128438
+H	-4.3396024354	 1.7244399694	 0.8616923058	 0.089035
+H	-3.5451472612	-0.2776635262	 2.6545907688	 0.114878
+H	-3.333957382	-0.5902681207	 0.9273401563	 0.102499
+H	-1.0574116886	-0.4834210437	 2.6799263034	 0.0825
+H	-1.1766761618	 0.5749949594	-0.234348257	 0.104118
+H	 1.0203468747	 0.0051291732	 1.4554001919	 0.284435
+H	-0.2763283583	 2.0143731531	 2.3777998251	 0.086169
+19
+0 3279	2.9546352	1.3784083	1.163958	2.1839	74.59	-0.22458	0.07486	0.29944	1126.4346	0.156155	-422.518363	-422.51009	-422.509145	-422.550582	32.638
+C	 0.0295687409	 0.0913708075	 0.0921884886	-0.418809
+C	 1.5419663327	 0.0419612525	 0.0623304111	-0.065273
+C	 2.2194782928	-0.9456054782	-0.8522920979	 0.09298
+O	 3.5292098691	-0.67856383	-1.3064399077	-0.262159
+C	 4.4474126149	-0.8549354084	-0.2572260346	 0.057889
+C	 4.4939235031	 0.1636785508	 0.8689574531	-0.39413
+C	 3.7161219236	-1.1286225013	 1.0229955752	 0.359853
+O	 4.1716754109	-2.1153104451	 1.8959443405	-0.468889
+C	 2.2451851477	-1.1756660446	 0.6384970754	-0.16833
+H	-0.3390629687	 0.4315003493	 1.0661212606	 0.1197
+H	-0.3581684757	 0.7731118313	-0.672449314	 0.122294
+H	-0.4023068486	-0.8977110129	-0.0950460566	 0.116747
+H	 2.0300256093	 1.0038485172	 0.182802356	 0.088649
+H	 1.6372297972	-1.5297747402	-1.5582951934	 0.097091
+H	 5.3547245084	-1.3713878754	-0.5504238289	 0.11011
+H	 5.4349553947	 0.2046497648	 1.4088049527	 0.114656
+H	 3.9857057274	 1.1145267256	 0.764460944	 0.120319
+H	 4.0267036849	-1.8039614456	 2.7961865187	 0.284809
+H	 1.6635495052	-1.9556054372	 1.1162278271	 0.092492
+19
+0 3280	2.8118196	1.3628735	1.1409852	2.5321	73.99	-0.22729	0.07047	0.29776	1122.7777	0.156766	-422.529837	-422.521455	-422.520511	-422.562268	32.982
+O	 0.3002494376	 0.0498784482	 0.2834695154	-0.440327
+C	-0.7580691055	 0.7318498704	 0.8944964302	 0.144418
+C	-1.5361946658	 0.0933040734	 2.0103587957	-0.10643
+C	-2.9840026023	 0.5257506237	 2.2977800391	-0.256806
+C	-2.9261374361	 1.9778510482	 2.7750717562	-0.113529
+C	-2.4608562035	 3.0734530195	 1.8281156089	-0.332736
+C	-1.4792228122	 2.4447936447	 2.7653369278	 0.429363
+O	-0.9408052991	 3.2821902978	 3.7426504357	-0.471432
+C	-0.617415539	 1.2824440274	 2.2912895121	-0.207822
+H	 0.7623431333	-0.4655495421	 0.9522562418	 0.282102
+H	-1.2775783625	 1.3115978976	 0.1397120088	 0.104291
+H	-1.2447243752	-0.9166278917	 2.2870960556	 0.07889
+H	-3.6336375011	 0.3922416048	 1.424549126	 0.106421
+H	-3.3966829533	-0.1014165681	 3.0953073064	 0.103378
+H	-3.5905745249	 2.2842538602	 3.5757875741	 0.087306
+H	-2.4051872331	 2.8951527115	 0.7602748224	 0.115614
+H	-2.7682862863	 4.0794451479	 2.0925618083	 0.119997
+H	-0.7947131105	 2.755558636	 4.5367584182	 0.279133
+H	 0.3441706294	 1.1720036206	 2.7837746773	 0.078167
+19
+0 3281	2.7594984	1.4827822	1.3098355	2.0285	74.27	-0.24387	0.0785	0.32237	1054.3247	0.156812	-422.535391	-422.52716	-422.526216	-422.567532	32.22
+C	-1.8299208704	-1.5130421719	 1.7542776813	-0.495106
+C	-1.5837866011	-0.0278428766	 1.8587169924	 0.293187
+C	-0.5475908301	 0.6627483035	 1.0090372415	 0.058974
+O	 0.2251214623	-0.1808811879	 0.2015923682	-0.438713
+C	-0.3389233173	 0.586892555	 2.5052410218	-0.155892
+C	-0.7563140946	 1.7435108932	 3.4180086415	-0.272469
+C	-2.2573037765	 1.9002819556	 3.2167183529	 0.042943
+O	-2.6405031361	 2.2346874487	 1.8755841721	-0.25575
+C	-2.7354368073	 0.8612764471	 2.2885375188	-0.032436
+H	-2.1577778714	-1.9324884894	 2.7122215307	 0.111579
+H	-2.6041697166	-1.7328039474	 1.0099281594	 0.119886
+H	-0.9187941347	-2.0279020128	 1.4446767984	 0.138458
+H	-0.8182390335	 1.617643926	 0.5657716491	 0.107053
+H	 1.1008661116	 0.210907836	 0.120666508	 0.286461
+H	 0.4641964206	-0.0673650697	 2.8298202519	 0.085921
+H	-0.5591186195	 1.4844002465	 4.4648292627	 0.106554
+H	-0.224271647	 2.6785856449	 3.2084803255	 0.112374
+H	-2.8740809873	 2.3453886662	 3.9944346051	 0.094684
+H	-3.7436348713	 0.4548529632	 2.3100400187	 0.092294
+19
+0 3282	2.8324417	1.478736	1.2883865	0.2554	74.2	-0.22429	0.0751	0.29939	1058.8837	0.156421	-422.517969	-422.509697	-422.508752	-422.550126	32.536
+C	-1.8680796434	-0.9145667755	-0.9323472088	-0.488614
+C	-2.0040812972	-0.0779738992	 0.3186848414	 0.281473
+C	-0.7832263578	 0.5586857849	 0.954943953	-0.015095
+O	 0.4104853197	 0.3998782626	 0.2423826142	-0.423005
+C	-1.8569876016	 1.4310873334	 0.3406642699	-0.006253
+O	-2.8395163333	 2.0075137848	 1.167101157	-0.259132
+C	-3.7219194362	 1.0106494893	 1.6303454039	 0.105208
+C	-3.2252757934	 0.046265761	 2.6730990445	-0.334845
+C	-3.2110354499	-0.3419591488	 1.2040646208	-0.132949
+H	-1.7057117994	-1.9689614283	-0.6821769341	 0.121039
+H	-2.7741468251	-0.8493343795	-1.5448488273	 0.114787
+H	-1.0177193336	-0.5826107852	-1.5298905777	 0.136726
+H	-0.6779330263	 0.5419177288	 2.0382233702	 0.086203
+H	 0.9216431166	 1.210664793	 0.3394686981	 0.289934
+H	-1.615578916	 2.0232820383	-0.5377542288	 0.098853
+H	-4.7614496397	 1.3188267443	 1.6008270987	 0.098882
+H	-2.3019653621	 0.2640990959	 3.1955866881	 0.122821
+H	-3.9769804674	-0.4387540402	 3.2877500514	 0.11236
+H	-3.8826293738	-1.1256725396	 0.8739091455	 0.091609
+19
+0 3283	3.0451785	1.4999799	1.1885928	1.3989	74.41	-0.24229	0.07582	0.31811	1079.8851	0.157034	-422.541745	-422.533551	-422.532607	-422.573944	32.022
+C	 0.9477092231	-0.551358513	-0.8850812242	-0.416677
+C	 0.9201928889	 0.1734521368	 0.4425709972	-0.056658
+C	 1.8215668224	 1.383011897	 0.6580350505	-0.131861
+C	 1.37723353	 2.4423499195	 1.6628448302	-0.275693
+C	 1.4140657565	 1.7183854426	 3.0063415247	 0.063495
+O	 2.722435135	 1.2797022679	 3.3939182044	-0.267744
+C	 1.8100035821	 0.3158838205	 2.8308118673	-0.075935
+C	 2.0899489365	 0.0679168923	 1.3771248898	 0.405629
+O	 3.1283103624	-0.7957109954	 1.0404953564	-0.47632
+H	 0.5712867312	-1.5744346684	-0.7818124016	 0.12091
+H	 0.324428404	-0.0357328441	-1.6233254066	 0.113462
+H	 1.9659713691	-0.6148733197	-1.2752146653	 0.131476
+H	-0.0612801488	 0.2224801039	 0.912325962	 0.079748
+H	 2.4618359402	 1.664719993	-0.1704674538	 0.087395
+H	 2.0500062258	 3.3065809511	 1.6754837158	 0.113332
+H	 0.3664611502	 2.8167008538	 1.4581150486	 0.101868
+H	 0.7779074839	 2.0417241164	 3.8264453052	 0.095239
+H	 1.5077161095	-0.4880766158	 3.4978115051	 0.097762
+H	 3.9395461081	-0.4214696583	 1.4042158541	 0.290572
+19
+0 3284	2.8698351	1.4715003	1.2900631	2.144	74.3	-0.22429	0.0666	0.29089	1066.6957	0.156296	-422.517593	-422.509307	-422.508363	-422.549806	32.587
+C	 0.0122290209	-0.0235747242	-0.0892948997	-0.428069
+C	 1.5216132887	 0.0913849668	-0.071471381	-0.12714
+C	 2.1407045673	 1.3392410251	 0.5365990131	 0.037691
+O	 3.4136694488	 1.7646942594	 0.1136916964	-0.263406
+C	 4.4049964077	 0.8976473308	 0.6190134457	 0.107735
+C	 4.5324141928	-0.4777531501	 0.0199324213	-0.337689
+C	 3.744420319	-0.2725104671	 1.3001547723	-0.140631
+C	 2.2538232989	 0.0306318422	 1.2628768841	 0.342951
+O	 1.5470652084	-0.1791024939	 2.4479612072	-0.468722
+H	-0.4269203443	 0.4167016671	 0.8096405658	 0.13193
+H	-0.4064437341	 0.4880640182	-0.9620994724	 0.122739
+H	-0.3071358582	-1.0711294465	-0.1334092405	 0.113277
+H	 2.0232193294	-0.3310055827	-0.9362255797	 0.086086
+H	 1.4930851547	 2.1477469173	 0.861675853	 0.104809
+H	 5.2749547118	 1.4239819114	 0.9962516033	 0.100875
+H	 4.0197732274	-0.6997635324	-0.9083648343	 0.122968
+H	 5.4973474639	-0.964594162	 0.1206218158	 0.112322
+H	 4.1094577918	-0.6860419663	 2.2321612057	 0.095992
+H	 1.2786581053	-1.1042739132	 2.4749947239	 0.286282
+19
+0 3285	2.8623591	1.441513	1.2812489	2.068	73.81	-0.22834	0.05896	0.2873	1060.6383	0.157514	-422.532062	-422.524075	-422.523131	-422.563882	32.266
+O	 0.4843208517	 0.5058534929	 0.551999238	-0.449507
+C	-0.6470294265	 1.0528160096	 1.1576991746	 0.057647
+C	-1.7107590896	 1.6645993259	 0.2600805626	-0.142636
+C	-3.1480447755	 1.8683830704	 0.7533497577	-0.260033
+C	-3.0915494874	 2.9072942678	 1.8814118635	-0.025882
+C	-2.3778957889	 2.5678812947	 3.1652981852	-0.304341
+C	-1.6461292912	 3.3203031043	 2.0800126611	-0.110917
+C	-0.8004972589	 2.5547519317	 1.0794247051	 0.343979
+O	 0.2350563399	 3.2478095814	 0.4307026263	-0.481578
+H	 0.9284550514	 1.2412612963	 0.1069703105	 0.281455
+H	-0.9256343799	 0.496152459	 2.047112054	 0.094922
+H	-1.5328074295	 1.5412061532	-0.8037280505	 0.096102
+H	-3.7548706795	 2.2604524652	-0.0693580151	 0.108714
+H	-3.6185328989	 0.9315994588	 1.0746933154	 0.105728
+H	-3.890867166	 3.6385073372	 1.9305710024	 0.086589
+H	-2.6603373795	 3.1299798159	 4.0494689454	 0.109653
+H	-2.112642711	 1.5377388058	 3.3761672327	 0.116556
+H	-1.3604283095	 4.3527002985	 2.2484354694	 0.084341
+H	 0.8998891188	 3.4682285913	 1.0947153818	 0.289211
+19
+0 3286	4.1280294	1.2632957	1.0921766	1.3006	75.58	-0.23499	0.07933	0.31432	1152.3298	0.15699	-422.505658	-422.497825	-422.496881	-422.537661	30.779
+C	-0.3272681935	-0.3215816984	-0.1369597236	-0.418369
+C	 1.1632874658	-0.1770643577	-0.341550904	-0.063731
+C	 2.1326664213	-0.6124098389	 0.7292235478	 0.051451
+O	 3.3610819911	-1.1433921578	 0.3040931637	-0.256504
+C	 4.4468341711	-0.3339398722	 0.6720589783	 0.073051
+C	 5.2230353859	 0.3082190424	-0.4477972824	-0.325775
+C	 4.2642235697	 1.1286243674	 0.3747289335	 0.07305
+O	 3.0369298346	 1.4528138467	-0.2237032173	-0.256504
+C	 1.949783606	 0.8523378817	 0.4314513673	 0.051449
+H	-0.6053530472	-0.1439680769	 0.9074324314	 0.115056
+H	-0.881427363	 0.3954796113	-0.7518155823	 0.12459
+H	-0.6661207036	-1.3288822103	-0.4012356677	 0.12459
+H	 1.5312089147	-0.3363469029	-1.3510449441	 0.104086
+H	 1.7517746847	-1.0347124867	 1.6580735087	 0.087589
+H	 4.9627471815	-0.6504392266	 1.5762730274	 0.091229
+H	 6.2872677994	 0.468248143	-0.3142316461	 0.11394
+H	 4.9046933764	 0.0638042711	-1.4545598327	 0.131986
+H	 4.6467064687	 1.8807723708	 1.0616942485	 0.091229
+H	 1.435745086	 1.4964893168	 1.1435000932	 0.087589
+19
+0 3287	4.0562223	1.2060261	1.0400689	0.7526	74.45	-0.24425	0.07788	0.32213	1164.9459	0.157971	-422.520285	-422.512543	-422.511599	-422.552195	30.929
+O	-0.6524615299	 1.3568332826	 0.6001328699	-0.427418
+C	-1.698471234	 0.4370688841	 0.5068487481	 0.05455
+C	-2.9874906492	 0.8288562473	 1.1753799377	-0.073
+C	-4.3374673877	 0.394230836	 0.6028792712	-0.272391
+C	-4.9632347684	-0.702573931	 1.4675877021	-0.039838
+C	-5.0087671479	-2.140443196	 0.9921509632	-0.312653
+C	-3.9880031547	-1.7178650759	 2.0040020991	 0.112132
+O	-2.6672943655	-1.5867774921	 1.5420811191	-0.258017
+C	-2.1470393184	-0.2989949459	 1.7379415379	 0.035109
+H	 0.1710931114	 0.8620377354	 0.6725038228	 0.287467
+H	-1.7755274315	-0.1117912949	-0.4332029624	 0.090547
+H	-2.9557467445	 1.7670650977	 1.7189389584	 0.099429
+H	-5.0107977366	 1.2533713803	 0.5484872273	 0.109024
+H	-4.2126291466	 0.0389669314	-0.425117273	 0.109012
+H	-5.7552486059	-0.3827917196	 2.1368372323	 0.087711
+H	-5.8278303776	-2.7716926516	 1.3192214484	 0.110584
+H	-4.6408028085	-2.3498130839	-0.0070562996	 0.118303
+H	-4.06968555	-2.0661251203	 3.0320880852	 0.083489
+H	-1.5952665544	-0.1493040636	 2.6651146023	 0.08596
+19
+0 3288	3.5579654	1.2439719	1.0398342	0.2376	73.95	-0.23529	0.07264	0.30793	1159.1598	0.157622	-422.533717	-422.525304	-422.52436	-422.568081	31.171
+O	 0.0812658558	 0.0066275713	 0.3239120082	-0.4342
+C	-0.9434855877	 0.8188389959	 0.821913614	 0.138236
+C	-1.3029780234	 0.8838835667	 2.2776541105	-0.091901
+C	-2.7550318864	 0.8935375711	 2.7363011497	-0.273404
+C	-3.4008794264	 2.2617694218	 2.7411996972	 0.062809
+O	-2.7256656144	 3.2839315383	 3.4808082367	-0.259071
+C	-2.8116146703	 3.4233849695	 2.0592192509	 0.062809
+C	-1.508570041	 3.3506835651	 1.2937190076	-0.273404
+C	-0.6874212007	 2.0973284301	 1.5652450693	-0.091901
+H	 0.8076089986	 0.0088497437	 0.9552792193	 0.281426
+H	-1.7693099869	 0.8218256812	 0.1134475451	 0.099522
+H	-0.6193240547	 0.3639449016	 2.9435430807	 0.081383
+H	-3.365060499	 0.2280421638	 2.1111862281	 0.106462
+H	-2.8195101041	 0.4950021159	 3.7551533766	 0.11647
+H	-4.4824221418	 2.2529710981	 2.8880245065	 0.085224
+H	-3.4855359018	 4.2181294007	 1.7342868705	 0.085224
+H	-1.7335837858	 3.4441666277	 0.223010155	 0.106462
+H	-0.9211211584	 4.2372900124	 1.5580684305	 0.11647
+H	 0.3534630684	 2.2815974653	 1.8176970536	 0.081383
+19
+0 3289	3.0356884	1.7257298	1.3464772	1.8117	73.91	-0.24109	0.07205	0.31314	995.7013	0.158465	-422.531659	-422.524286	-422.523341	-422.56342	28.873
+C	 3.5379404617	-1.2427153046	-0.5229303003	-0.413584
+C	 2.5320285006	-0.3152861253	 0.1503559385	-0.023614
+C	 3.1557253422	 1.0056472956	 0.6618269951	 0.104091
+O	 2.1549237448	 2.0099040466	 0.9480599677	-0.31557
+C	 2.0261148037	 1.5706380591	 2.3244763102	 0.094147
+C	 0.7281099583	 0.820009351	 2.5877865206	-0.090948
+O	 0.8960191835	-0.5013455778	 2.0710946263	-0.273319
+C	 2.2320119309	-0.7069157375	 1.6410994557	 0.097787
+C	 3.1007010218	 0.4881304257	 2.1238328981	-0.147831
+H	 4.4401174783	-1.3669930217	 0.0885532401	 0.113765
+H	 3.107904523	-2.2372500228	-0.6807135973	 0.122808
+H	 3.8510037389	-0.8493422392	-1.4955539956	 0.120598
+H	 1.6371022237	-0.1783393142	-0.4621944493	 0.085957
+H	 4.0285904029	 1.4220546916	 0.153248029	 0.075004
+H	 2.2113220502	 2.3906142706	 3.0249679393	 0.081516
+H	 0.5198812051	 0.7699891814	 3.666565172	 0.095645
+H	-0.1176775179	 1.3070412985	 2.0891756036	 0.116353
+H	 2.535262895	-1.7195538541	 1.9209491586	 0.078025
+H	 3.9285582834	 0.3608052071	 2.8158768679	 0.079172
+19
+0 3290	3.0271131	1.6849677	1.3201671	0.9047	73.71	-0.23248	0.07096	0.30344	993.5517	0.158953	-422.536038	-422.528719	-422.527774	-422.567668	29.15
+O	 0.4127322435	 0.6845634822	 0.4107712537	-0.439965
+C	-0.6340346295	-0.1167442312	 0.9210934599	 0.104844
+C	-1.8858872063	 0.1018631777	 0.0480613629	-0.039609
+C	-3.0175135829	-0.9351381664	 0.2855451164	-0.256399
+C	-3.5981122309	-0.073083324	 1.4524192748	-0.039135
+C	-3.2974648935	-0.5527505126	 2.8671547797	-0.085154
+O	-1.8921791164	-0.3810601132	 3.0637899644	-0.273868
+C	-1.3731208373	 0.5511906261	 2.1280683362	 0.061687
+C	-2.512581559	 1.0013167355	 1.1731098346	-0.06757
+H	 1.1068799278	 0.723241592	 1.0778699625	 0.282181
+H	-0.3190615162	-1.1564663082	 1.0913941175	 0.06464
+H	-1.6946241405	 0.4289850745	-0.972949894	 0.077254
+H	-3.7046830909	-0.998113621	-0.5609536969	 0.105421
+H	-2.697269622	-1.9492863032	 0.5459176606	 0.099238
+H	-4.6399475364	 0.2243896337	 1.3237706602	 0.073601
+H	-3.8577385307	 0.0398190018	 3.6072423535	 0.090437
+H	-3.5357205876	-1.6106095235	 3.0273795213	 0.104881
+H	-0.7901507419	 1.3228052732	 2.6430245536	 0.0708
+H	-2.7655274393	 2.0555584168	 1.0834453791	 0.066718
+19
+0 3291	2.8688868	1.7276779	1.3212154	1.2257	73.87	-0.23845	0.07166	0.31011	991.8309	0.158833	-422.535936	-422.528594	-422.52765	-422.567704	29.183
+O	 0.508960486	 0.4520356036	 0.4544514346	-0.441686
+C	-0.6555610534	-0.1707761858	 0.9566031061	 0.126132
+C	-1.8466777197	 0.1564293505	 0.025078264	-0.042387
+C	-3.0303089404	-0.8345334459	 0.1267944737	-0.25527
+C	-3.5168555237	-0.1175825506	 1.4209596588	 0.109941
+O	-3.1678435478	-0.8015999248	 2.6194513156	-0.274052
+C	-2.007057192	-0.2204409826	 3.213399481	-0.093363
+C	-1.3343064744	 0.613572188	 2.1316205574	-0.085553
+C	-2.4844767681	 1.0180753565	 1.1730829622	-0.071808
+H	 1.1977730482	 0.3817903584	 1.1240348534	 0.279796
+H	-0.4852314534	-1.2417745568	 1.1482266417	 0.062377
+H	-1.5616674654	 0.5414787594	-0.95294281	 0.078576
+H	-3.7371299759	-0.696097776	-0.6961441443	 0.101144
+H	-2.803311083	-1.8994245418	 0.2290696788	 0.100491
+H	-4.5782923468	 0.1423822373	 1.4565643054	 0.076823
+H	-2.2945141894	 0.4076142401	 4.0708925386	 0.09088
+H	-1.3711939686	-1.0323797406	 3.5881657233	 0.099587
+H	-0.7047066202	 1.4161560053	 2.5207948527	 0.072563
+H	-2.814558392	 2.0514173258	 1.0903121268	 0.065809
+19
+0 3292	3.0169725	1.6578959	1.3104113	2.603	73.25	-0.2364	0.05819	0.29459	1001.7709	0.159037	-422.539032	-422.531624	-422.53068	-422.571	29.22
+O	 0.4840387372	-0.1142779466	 0.6365950939	-0.431816
+C	-0.7426599508	 0.5552538619	 0.8354176547	 0.12028
+C	-1.4398741511	 0.2528078064	 2.2079327753	-0.063845
+C	-2.9838875413	 0.1574119467	 2.1904912739	-0.233345
+C	-3.5270585758	 1.5965575116	 2.4230018848	-0.223849
+C	-2.3134862656	 2.5197003289	 2.3782541828	 0.134243
+O	-1.8417346086	 2.7603310555	 1.0205150787	-0.314863
+C	-0.6136406738	 2.040225592	 1.252071225	 0.067371
+C	-1.056692676	 1.6895085321	 2.6983698191	-0.13908
+H	 1.0279492763	 0.0038701336	 1.4233015971	 0.280098
+H	-1.3397447048	 0.3805995346	-0.0638359461	 0.093073
+H	-0.9674050636	-0.5882038157	 2.7208202813	 0.068621
+H	-3.3319886416	-0.261341143	 1.2415918193	 0.109362
+H	-3.3382250941	-0.5160301657	 2.9762132865	 0.100633
+H	-4.2671908877	 1.9011916108	 1.6775090702	 0.115088
+H	-4.005129118	 1.6774665821	 3.4059581547	 0.098947
+H	-2.456263854	 3.4686603237	 2.9060328907	 0.072678
+H	 0.2779953827	 2.5942931583	 0.9447459822	 0.074609
+H	-0.4879995194	 1.847950423	 3.612002166	 0.071796
+19
+0 3293	3.5943729	1.548679	1.4160307	1.9927	73.76	-0.22512	0.08614	0.31126	985.4049	0.159433	-422.541074	-422.534116	-422.533172	-422.572055	28.351
+C	-0.0501137022	 0.2925288592	 0.0492851623	-0.429509
+C	 1.4352388778	-0.0521282005	 0.0592319967	 0.008018
+C	 1.9382236979	-1.1454274523	 1.0401046609	 0.03743
+O	 3.3577493334	-1.1120133256	 0.8146708011	-0.285256
+C	 3.3982049493	-1.3627820013	-0.615392446	 0.046336
+C	 3.5335562886	-2.8769052845	-0.7393748705	-0.075994
+O	 2.3062997585	-3.3532384286	-0.1575705522	-0.280536
+C	 1.4776369474	-2.2258702959	-0.0056701122	 0.125366
+C	 1.913596393	-1.0988207742	-0.9856159807	-0.115352
+H	-0.3205049699	 0.8538932051	 0.9500058232	 0.121422
+H	-0.2932676029	 0.9207540081	-0.8143880503	 0.121263
+H	-0.6949951566	-0.5895355575	 0.0025334444	 0.120172
+H	 2.0390423296	 0.8583949487	 0.1128852687	 0.078805
+H	 1.7237495791	-1.1680443863	 2.1078624505	 0.078343
+H	 4.1720486968	-0.7608566296	-1.0931131362	 0.081525
+H	 3.620670732	-3.2230488334	-1.7803145398	 0.088574
+H	 4.3823256582	-3.2510181522	-0.159579457	 0.116128
+H	 0.4346849964	-2.5305992032	 0.0247800646	 0.090115
+H	 1.6463462135	-1.080610556	-2.0416214475	 0.073147
+19
+0 3294	3.6656557	1.5213407	1.408462	2.6214	73.38	-0.24158	0.09079	0.33237	988.1834	0.159713	-422.549971	-422.543063	-422.542118	-422.580905	28.221
+C	-0.0476330082	 0.0568036752	 0.0388745831	-0.427318
+C	 1.4711446938	-0.0650470235	 0.0723174002	 0.016436
+C	 2.1123072528	-1.1305988314	 0.9997641034	 0.06801
+O	 3.5189192419	-0.8614918653	 0.8198125687	-0.286077
+C	 3.621976247	-1.0371373187	-0.60666127	 0.208516
+O	 4.0433570554	-2.3478064062	-0.8765842878	-0.255124
+C	 3.0020479873	-3.1840387731	-0.333756897	-0.111638
+C	 1.8434362686	-2.2152093935	-0.098808824	-0.079871
+C	 2.1272748908	-0.9718901664	-1.0066700382	-0.111353
+H	-0.4175210706	 0.5201132187	 0.9598719421	 0.120477
+H	-0.3634657832	 0.6903880495	-0.7968169982	 0.121769
+H	-0.5506472495	-0.9078340171	-0.0738091766	 0.116898
+H	 1.9282039344	 0.9226020815	 0.192138711	 0.076519
+H	 1.8831995239	-1.2516142895	 2.0583106537	 0.077124
+H	 4.3388762473	-0.3377325187	-1.0339233925	 0.091018
+H	 2.7631583644	-3.965600248	-1.0630406553	 0.105768
+H	 3.3473318777	-3.6592902397	 0.5923521475	 0.109471
+H	 0.8440451934	-2.6416741238	-0.1231911465	 0.084638
+H	 1.8978909928	-0.9332922198	-2.0706762737	 0.07474
+19
+0 3295	3.4510238	1.5553624	1.4278111	2.1063	73.32	-0.23277	0.07516	0.30793000000000004	967.7354	0.160378	-422.554401	-422.547606	-422.546662	-422.585128	28.311
+O	 0.5728770363	 0.1174656382	 0.5758086759	-0.448682
+C	-0.7500104072	 0.5024198047	 0.8910488069	 0.120419
+C	-1.0094028494	 0.8721512919	 2.3819774704	-0.12476
+C	-2.4843315883	 1.3022241705	 2.3042091189	-0.226913
+C	-2.3283669097	 2.3993920114	 1.1978221143	-0.069574
+C	-2.0192986107	 3.708625996	 1.9304223242	-0.079404
+O	-0.8085886107	 3.4102960907	 2.646033566	-0.283624
+C	-0.283098713	 2.2362963911	 2.0577235233	 0.151438
+C	-0.9193924684	 2.0151389808	 0.6613156046	-0.065179
+H	 0.7248289359	-0.7547893932	 0.9530442653	 0.283276
+H	-1.4836090217	-0.1685599828	 0.4224137186	 0.060087
+H	-0.7025978541	 0.2135590577	 3.1960109542	 0.056104
+H	-3.1355789607	 0.4771554883	 1.9995974316	 0.093582
+H	-2.8686702929	 1.7150209578	 3.2404898152	 0.104496
+H	-3.1390310682	 2.4621981796	 0.4714235728	 0.068528
+H	-1.8523273129	 4.5508636159	 1.2422167075	 0.090418
+H	-2.7988541338	 3.9914132748	 2.6465443305	 0.10236
+H	 0.8002310505	 2.2215570356	 2.1378709183	 0.094917
+H	-0.5594637712	 2.5059646311	-0.2420980989	 0.072512
+19
+0 3296	3.506178	1.5294766	1.4082399	1.3325	73.33	-0.23681	0.07427	0.31108	972.1521	0.160211	-422.553101	-422.546262	-422.545318	-422.583879	28.418
+O	 0.2988554926	-0.2646330712	 0.0944319972	-0.447587
+C	-0.7813597117	 0.5767329251	 0.4439465516	 0.133765
+C	-2.1069313205	-0.2182399715	 0.5299390429	-0.060728
+C	-3.084418132	 0.9284607687	 0.8529927946	-0.249524
+C	-2.3796780433	 1.4203437108	 2.1529341644	 0.101072
+O	-2.966387282	 0.7525225166	 3.2714004786	-0.27203
+C	-2.6927125397	-0.6456799644	 3.0760844725	-0.119495
+C	-1.6425971408	-0.6721078803	 1.9698653206	-0.03051
+C	-0.9956412048	 0.7474644688	 1.9705298683	-0.092588
+H	 1.1160871659	 0.1852232655	 0.3314308809	 0.282929
+H	-0.7892859846	 1.482880688	-0.1791442459	 0.057829
+H	-2.3771387091	-0.9341599944	-0.2458869027	 0.069276
+H	-3.1116557496	 1.679737862	 0.0571846976	 0.095726
+H	-4.1081443901	 0.6146832698	 1.0682508569	 0.108113
+H	-2.4096772947	 2.4918543178	 2.3493065374	 0.074424
+H	-2.3200000006	-1.0646209847	 4.0183464044	 0.102526
+H	-3.6116503003	-1.1841676222	 2.8045662797	 0.095808
+H	-0.9569229044	-1.5147018803	 1.9659581832	 0.089512
+H	-0.1990180403	 1.0404858459	 2.6555070279	 0.061484
+19
+0 3297	3.6116133	1.5863244	1.4632394	1.984	73.02	-0.23729	0.07811	0.3154	952.5139	0.160641	-422.560997	-422.554317	-422.553373	-422.591652	28.057
+O	 0.4334380278	-0.0856215557	 0.6748471507	-0.455109
+C	-0.3792772036	 0.9496632566	 1.1367342777	 0.179149
+C	-1.0148488288	 0.8085224869	 2.5400435454	 0.025818
+O	-1.627785096	-0.4950913665	 2.4261689809	-0.314654
+C	-2.4860404508	-0.2786547421	 1.2588177942	 0.088063
+C	-3.8609678391	 0.0991294801	 1.807306612	-0.211977
+C	-3.5535020182	 1.4285903569	 2.5594321104	-0.234342
+C	-2.1397899666	 1.7805248704	 2.0754925848	-0.03316
+C	-1.8759588517	 1.0376871747	 0.7207131029	-0.135742
+H	 0.1004877638	-0.8858312292	 1.1042838958	 0.289428
+H	 0.14263184	 1.8968868435	 0.9850704504	 0.088085
+H	-0.4715523229	 0.8819942866	 3.4815868821	 0.077721
+H	-2.4481303572	-1.1552226676	 0.6100027182	 0.07511
+H	-4.5734546832	 0.2533825115	 0.9888110478	 0.096144
+H	-4.2571746378	-0.6837712542	 2.4584250988	 0.107981
+H	-4.2663198866	 2.2172437456	 2.3029820671	 0.100948
+H	-3.587204267	 1.30116113	 3.6452107127	 0.109376
+H	-1.8553542152	 2.8318351508	 2.1129240937	 0.075406
+H	-2.2178140668	 1.3984662617	-0.2481555055	 0.071753
+19
+0 3298	4.0681844	1.2524683	1.0793195	1.1075	74.8	-0.23215	0.07665	0.30879999999999996	1155.8179	0.157704	-422.523303	-422.515473	-422.514529	-422.555727	29.891
+C	-0.1694921285	 0.0333128369	-0.0391426389	-0.417972
+C	 1.3361920509	 0.1568489683	 0.0291519871	-0.053097
+C	 2.2232452921	-0.7780043113	-0.752721458	 0.085072
+O	 3.4864019536	-0.2771383687	-1.1417426867	-0.273401
+C	 4.313780182	-0.1522471297	 0.0028142114	 0.050111
+C	 5.1647874773	-1.3879433267	 0.3738745337	-0.097704
+O	 4.3594265625	-1.6441508709	 1.5475872856	-0.296135
+C	 3.5008109811	-0.5149704764	 1.2692569699	 0.07935
+C	 2.1428228761	-0.9186284766	 0.7394900867	-0.114018
+H	-0.6411591647	 0.3906463153	 0.8827902604	 0.122238
+H	-0.576259572	 0.6145508808	-0.8734413456	 0.123228
+H	-0.473579849	-1.0092914157	-0.1806516836	 0.11723
+H	 1.7160332074	 1.1732466509	 0.1136687876	 0.089341
+H	 1.8113705153	-1.495001241	-1.4545626872	 0.099469
+H	 4.8394578431	 0.80301489	-0.038149406	 0.092203
+H	 5.1183012213	-2.2013743657	-0.35891945	 0.109756
+H	 6.2094056567	-1.1852406044	 0.6381038171	 0.102997
+H	 3.4739226104	 0.1869396478	 2.1101396202	 0.080946
+H	 1.6321691944	-1.7442636829	 1.222672856	 0.100388
+19
+0 3299	3.907152	1.2144998	1.0456994	1.279	73.86	-0.23537	0.07147	0.30684	1158.0148	0.158061	-422.53038	-422.522318	-422.521374	-422.563503	30.294
+O	 0.4255231853	-0.2052821768	 0.2316960206	-0.437316
+C	-0.5871477553	 0.608194419	 0.7500942189	 0.144529
+C	-1.5001419308	 0.138700112	 1.851930074	-0.100607
+C	-2.9054642067	 0.7425119262	 1.8880219795	-0.256154
+C	-2.7188471765	 2.2543076597	 2.161844578	-0.075819
+C	-2.7905063971	 2.7057877273	 3.638220555	-0.076138
+O	-1.36222235	 2.88339866	 3.7175946314	-0.295141
+C	-1.1973003758	 2.541227345	 2.3218463976	 0.116131
+C	-0.4691000552	 1.2360569979	 2.1101829467	-0.139064
+H	 0.9078213242	-0.6015940484	 0.9640829028	 0.283943
+H	-1.0219492429	 1.1926476197	-0.0578424198	 0.100942
+H	-1.3472020323	-0.8660291236	 2.2329829239	 0.082612
+H	-3.4400188853	 0.5708229957	 0.9468876218	 0.103809
+H	-3.5038044316	 0.2764609084	 2.6782308102	 0.103389
+H	-3.2686739248	 2.8877149274	 1.4655390469	 0.078581
+H	-3.3254094393	 3.6477174447	 3.8138518021	 0.099806
+H	-3.154530341	 1.9529240078	 4.349459613	 0.098366
+H	-0.7694538346	 3.3811894365	 1.7607059493	 0.077572
+H	 0.4286377999	 1.0550180417	 2.6944839382	 0.090557
+19
+0 3300	3.959199	1.2049082	1.0423548	0.9076	74.13	-0.23715	0.07475	0.3119	1157.9537	0.158018	-422.531351	-422.523345	-422.522401	-422.564142	30.318
+O	 0.4549069689	-0.2023858885	 0.2335395843	-0.438459
+C	-0.5514173128	 0.615832516	 0.7570175741	 0.139033
+C	-1.4794988128	 0.143082651	 1.8428409822	-0.106581
+C	-2.872353034	 0.7710793889	 1.8793977085	-0.259387
+C	-2.6612682115	 2.2271760489	 2.3250968115	 0.140464
+O	-2.7780482147	 2.3892861708	 3.7594837236	-0.291732
+C	-1.4179809196	 2.8541214175	 3.869996138	-0.081249
+C	-1.1363994701	 2.5406671044	 2.3869301363	-0.100365
+C	-0.4310777221	 1.2253840289	 2.1263546486	-0.111368
+H	 0.8047589785	-0.7518408787	 0.9420896514	 0.282599
+H	-0.9701518727	 1.2208782302	-0.0440406758	 0.101327
+H	-1.343294617	-0.8668516494	 2.2171907788	 0.081252
+H	-3.3666324255	 0.7225348785	 0.9018035679	 0.099201
+H	-3.523712376	 0.2727711294	 2.6031497933	 0.119407
+H	-3.3025690167	 2.942991886	 1.7979581089	 0.071746
+H	-1.3729513687	 3.9200035332	 4.1292419693	 0.095461
+H	-0.8431942222	 2.2810814525	 4.6079465585	 0.097884
+H	-0.7619075136	 3.3718726422	 1.7850312249	 0.078957
+H	 0.4623963324	 0.9917234081	 2.6998416159	 0.081808
+19
+0 3301	3.9100013	1.2495248	1.0706922	0.3617	74.24	-0.22261	0.07174	0.29435	1145.2336	0.157936	-422.527933	-422.520197	-422.519253	-422.560147	30.357
+O	 0.4107559606	-0.2855297532	 0.2317978565	-0.424726
+C	-0.5830847781	 0.5895178184	 0.6761994479	 0.036256
+C	-2.0306121897	 0.1654141656	 0.6125291779	 0.022869
+O	-2.9033542619	 0.8362020612	 1.4896597844	-0.266788
+C	-3.2007890563	 2.1158162556	 0.9424109507	 0.127935
+C	-4.3392691824	 2.1829273049	-0.1180840265	-0.241391
+C	-3.3336871136	 2.7928036722	-1.1357792738	-0.23913
+C	-2.1603263036	 2.4673979797	-0.1660076944	-0.070595
+C	-1.4790011286	 1.1310394921	-0.4098438197	-0.091178
+H	 0.5459456844	-0.9507762389	 0.9154441244	 0.289133
+H	-0.3088798382	 1.2583124964	 1.494383823	 0.089179
+H	-2.2998135414	-0.8605260196	 0.3823536788	 0.098621
+H	-3.3060957323	 2.8189559971	 1.771362515	 0.080178
+H	-4.6888437783	 1.184484369	-0.3901475264	 0.111009
+H	-5.2047752028	 2.7963269461	 0.1417825074	 0.100826
+H	-3.286882251	 2.3229570981	-2.1213436863	 0.099906
+H	-3.4689633716	 3.8679328753	-1.2747179379	 0.102722
+H	-1.4528231471	 3.2768014051	 0.033470547	 0.073212
+H	-1.2667688279	 0.8026342048	-1.421279978	 0.101963
+19
+0 3302	2.3577749	1.6188021	1.1540679	2.0589	77.41	-0.2121	0.02459	0.23669	1115.7111	0.155899	-422.558957	-422.550071	-422.549127	-422.59177	34.261
+C	 1.2362592186	 0.6521351257	-0.3965694979	-0.496787
+C	-0.1295644637	 0.2239012292	 0.034606752	 0.267729
+C	-1.2300835203	 0.969599033	 0.1838648914	-0.182015
+C	-2.4421896998	 0.1663245495	 0.6146684647	-0.282758
+C	-1.8868641686	-1.2412370345	 0.802259264	-0.190264
+C	-0.7986738399	-1.4380624683	 1.8407887994	 0.013412
+O	-0.5357080131	-2.751197105	 2.262300966	-0.441775
+C	-0.4092939801	-1.1978789839	 0.4026644066	 0.346892
+O	 0.2646909143	-2.1949118119	-0.2850833772	-0.482593
+H	 1.9751810356	 0.4700010776	 0.3938349994	 0.126244
+H	 1.5648175499	 0.0717363862	-1.2652721812	 0.143156
+H	 1.2607694471	 1.7139856327	-0.6542671002	 0.117852
+H	-1.2710667635	 2.0435126574	 0.0379412194	 0.087858
+H	-2.8880488637	 0.5624277236	 1.5373031129	 0.104486
+H	-3.2348475724	 0.1910511413	-0.145274826	 0.10906
+H	-2.489992413	-2.1104054787	 0.5614585228	 0.08508
+H	-0.6157779452	-0.6689759382	 2.5919427763	 0.090264
+H	-1.3426980939	-3.1304115662	 2.6258795007	 0.293138
+H	 0.3573911816	-2.9302425095	 0.3369244469	 0.29102
+19
+0 3303	2.39778	1.4441016	1.0683522	3.0779	76.32	-0.23691	0.0116	0.24851	1162.9758	0.157746	-422.555209	-422.546738	-422.545793	-422.588037	32.75
+O	-1.5392692748	-3.5723098963	 2.2257001234	-0.426859
+C	-1.4721443261	-2.188732104	 2.4241039403	 0.077045
+C	-0.2681682662	-1.5903776183	 3.1094264454	-0.09776
+C	-0.4295459616	-0.3707875306	 3.9987345763	-0.287989
+C	-1.0522304146	 0.8088924452	 3.2997200489	-0.049035
+C	-1.2295783076	 0.9122463286	 1.9823230377	-0.102496
+C	-0.7757615495	-0.1161306633	 0.9776528984	 0.07363
+O	 0.3453139489	 0.3896062429	 0.2381841442	-0.429603
+C	-0.455497345	-1.4599019241	 1.6031525645	-0.090707
+H	-1.7641517313	-3.9815339254	 3.0680099568	 0.284058
+H	-2.4326590439	-1.6960012153	 2.5851041187	 0.086202
+H	 0.4752004502	-2.3142639719	 3.4298000475	 0.086905
+H	-1.0243940505	-0.6223078393	 4.8889974094	 0.105974
+H	 0.5515694887	-0.0643369547	 4.39143237	 0.113089
+H	-1.3587062059	 1.6323771266	 3.9415065645	 0.09206
+H	-1.6622568147	 1.8165818782	 1.5628042514	 0.093886
+H	-1.5487168131	-0.2510667266	 0.2106138466	 0.094619
+H	 1.0156886536	 0.6384189669	 0.8846595669	 0.273554
+H	 0.1649057035	-2.0943585387	 0.978739869	 0.103426
+19
+0 3304	2.4070121	1.6541291	1.4597281	2.3883	74.88	-0.23865	0.00636	0.24501	999.091	0.158684	-422.562181	-422.554402	-422.553458	-422.593746	31.525
+O	 0.5850693512	 0.1981086561	 0.695915572	-0.451099
+C	-0.7503915485	 0.6305515561	 0.8652711225	 0.156918
+C	-1.2983446538	 0.4357290177	 2.3102744149	-0.130006
+C	-2.8210855182	 0.6562267704	 2.3337470918	-0.274174
+C	-3.1761090558	 1.9143052172	 1.5691356394	-0.083225
+C	-2.20347267	 2.6338501643	 1.0000932933	-0.086901
+C	-0.7766272155	 2.1579090342	 1.1513110362	-0.12687
+C	-0.5550900872	 1.7691936644	 2.6555860344	 0.166738
+O	-1.0153916738	 2.5978688257	 3.6810816271	-0.441797
+H	 0.6071527911	-0.7558458572	 0.8251795083	 0.280923
+H	-1.3940348977	 0.2892947629	 0.0439232515	 0.064438
+H	-1.0074180977	-0.4744023231	 2.8436026152	 0.055903
+H	-3.3406304363	-0.2095139221	 1.9008789772	 0.108989
+H	-3.1749896083	 0.7288308979	 3.3715733582	 0.115748
+H	-4.2206297236	 2.2048560669	 1.4998594294	 0.094319
+H	-2.4127629237	 3.5434864026	 0.4461632134	 0.095533
+H	-0.0395655439	 2.7821110209	 0.6462256333	 0.071929
+H	 0.5006047666	 1.5797196934	 2.8455005889	 0.103875
+H	-1.8782219049	 2.9365354518	 3.4098565429	 0.278759
+19
+0 3305	2.7132524	1.4645494	1.1699915	2.3016	76.14	-0.22509	0.027	0.25209000000000004	1102.0965	0.157365	-422.558674	-422.55033	-422.549386	-422.591	32.886
+O	 0.362970875	 0.0932859007	 0.2760610478	-0.434454
+C	-0.8574235969	 0.6532774745	 0.6922703568	 0.000317
+C	-2.1499111076	-0.0886452799	 0.403101071	-0.169612
+C	-3.313354307	 0.0155986305	 1.3728961422	-0.277278
+C	-3.7645155719	 1.4316710049	 1.6123307408	-0.06436
+C	-3.4162601925	 2.4720023249	 0.8562126426	-0.050913
+C	-2.521213043	 2.3926240824	-0.3506555857	-0.327327
+C	-1.7349049499	 1.1043912363	-0.4437780012	 0.430197
+O	-1.2431883658	 0.8741100221	-1.7296991959	-0.489086
+H	 0.4762924802	-0.7577794492	 0.7110531052	 0.293132
+H	-0.7963993824	 1.2594416527	 1.5955732275	 0.095203
+H	-2.0170054699	-1.0508840868	-0.0852511313	 0.082936
+H	-4.1617505507	-0.564107171	 0.9809909616	 0.116632
+H	-3.057515493	-0.4588893989	 2.3320137361	 0.099907
+H	-4.4359592076	 1.5854146517	 2.4535845741	 0.08484
+H	-3.8093051801	 3.457328936	 1.0941728963	 0.086853
+H	-3.1271564238	 2.4757916778	-1.2642417977	 0.1261
+H	-1.8346133882	 3.2496682657	-0.3768479802	 0.108473
+H	-0.3692571147	 0.4750436155	-1.61220764	 0.288439
+19
+0 3306	2.0372455	1.7782677	1.4048483	2.3541	75.34	-0.23492	-0.00898	0.22594	1040.8906	0.156616	-422.583177	-422.57435	-422.573405	-422.616386	33.204
+C	-0.3288009869	 2.4342789686	-0.4323141004	-0.481103
+C	-0.7945315175	 1.1059743356	 0.1092083744	 0.143469
+C	-1.5698251626	 1.0346018038	 1.4285622201	 0.056705
+O	-1.3241997954	 0.0721254526	 2.4105364024	-0.413404
+C	-2.2470283505	 0.6138273164	 0.1752788262	-0.132623
+C	-2.2812239843	-0.8864941515	-0.1304256292	-0.227169
+C	-0.8172869696	-1.3679043312	-0.0975346942	-0.3215
+C	 0.0418838519	-0.1050930302	-0.1957030475	 0.368532
+O	 1.2058116853	-0.0658845098	-0.5171890449	-0.337119
+H	 0.7077645983	 2.6199519983	-0.1349818779	 0.138153
+H	-0.362155159	 2.4511172068	-1.5268059657	 0.126114
+H	-0.9496385494	 3.2565657486	-0.0640623836	 0.110787
+H	-1.8407248059	 2.0157901713	 1.820481201	 0.094309
+H	-0.5244591869	 0.3221981724	 2.8860273673	 0.294827
+H	-3.0538216981	 1.2325733021	-0.2035371139	 0.093709
+H	-2.9137541388	-1.42582988	 0.5798021426	 0.117287
+H	-2.709143803	-1.0337815109	-1.1267738782	 0.107684
+H	-0.5738999726	-1.866057611	 0.8454954188	 0.13819
+H	-0.5595319851	-2.0519685118	-0.9093611874	 0.123153
+19
+0 3307	2.3823551	1.6373471	1.161575	2.6323	76.55	-0.23996	-0.01985	0.22011	1108.6705	0.156655	-422.583778	-422.575056	-422.574112	-422.616761	33.117
+C	-2.1050066961	-2.739681374	-1.6824065423	-0.415184
+C	-1.7071394024	-1.3434391574	-1.2569451002	-0.085968
+C	-2.3638847417	-0.7102470512	-0.0588687167	-0.126751
+C	-2.3455418221	 0.8189552926	 0.0046103497	-0.233569
+C	-0.8644681257	 1.2294637004	-0.1929695034	-0.344381
+C	-0.0700077274	-0.0119110842	 0.203837476	 0.347478
+O	 1.0426904519	-0.0620137139	 0.6810164778	-0.355611
+C	-0.9305741417	-1.2144938607	 0.0511361948	 0.34419
+O	-0.5216733813	-2.3428974499	 0.7359352212	-0.480681
+H	-2.3312398507	-3.3673014483	-0.8174023194	 0.137824
+H	-2.9881118142	-2.7083469344	-2.3293222484	 0.117439
+H	-1.2957928382	-3.225067344	-2.2369500755	 0.125581
+H	-1.4266567882	-0.6839353818	-2.076390848	 0.083521
+H	-3.165000239	-1.2548188864	 0.429214056	 0.100752
+H	-3.0062146204	 1.2694484661	-0.743489482	 0.106857
+H	-2.6929424366	 1.1505250745	 0.9885168791	 0.115186
+H	-0.6392170464	 1.4809630682	-1.2362449496	 0.134469
+H	-0.5575310799	 2.0838155964	 0.4127631363	 0.133729
+H	 0.3740813802	-2.1317597519	 1.0430346045	 0.295121
+19
+0 3308	2.0045447	1.8044682	1.4632421	4.2914	75.04	-0.2595	0.01336	0.27286	1035.4121	0.157214	-422.598932	-422.590264	-422.58932	-422.631838	32.392
+C	-1.6248564433	-0.5651466526	-2.5496653687	-0.432033
+C	-1.8679636816	-1.291630036	-1.2433302842	-0.046386
+C	-2.35805146	-0.6334189452	 0.0169330471	-0.137862
+C	-2.1764603304	 0.8704808339	 0.1227537092	-0.106849
+O	-0.7713950095	 1.1298315461	-0.0409290638	-0.229665
+C	-0.0424326571	-0.0271462874	-0.0053186435	 0.407789
+O	 1.1544546411	-0.0223602486	 0.0430176746	-0.348415
+C	-0.9594958794	-1.2163721094	-0.0193638657	 0.150027
+C	-0.4766919419	-2.4556685214	 0.6914647447	-0.4802
+H	-0.9220992455	-1.1245889499	-3.1752983566	 0.130531
+H	-2.5607255787	-0.4641931453	-3.1102057117	 0.120336
+H	-1.2121010563	 0.4356270143	-2.4026895876	 0.143806
+H	-2.262018295	-2.2969552675	-1.3777990483	 0.094851
+H	-3.1504548576	-1.0935013979	 0.5957283884	 0.099954
+H	-2.7119494228	 1.4351288321	-0.647175687	 0.122641
+H	-2.4838010668	 1.2440221763	 1.1055889772	 0.122371
+H	-0.3117394473	-2.2668702898	 1.757284175	 0.128215
+H	-1.2013170066	-3.269408222	 0.5972015358	 0.115338
+H	 0.4743664189	-2.7869228694	 0.2643340452	 0.145551
+19
+0 3309	2.0108012	1.7634699	1.4131366	2.1214	75.65	-0.24025	-0.02151	0.21874	1050.7058	0.155521	-422.565001	-422.555888	-422.554944	-422.598713	33.231
+C	-1.7009890799	-0.6483468823	 2.5591490414	-0.423448
+C	-1.9461761233	-1.2612486656	 1.1981953246	-0.080589
+C	-2.3277940223	-0.4674827712	-0.0101052151	 0.041538
+O	-2.162935789	 0.932497319	 0.0708010801	-0.263078
+C	-0.7828190136	 1.2646255375	 0.0525089589	-0.18944
+C	 0.0064126513	-0.0480000826	 0.0196637594	 0.321463
+O	 1.2054480765	-0.1409966486	-0.0689386279	-0.321512
+C	-0.9862648892	-1.1688663719	-0.0087347158	 0.145082
+C	-0.6086683363	-2.4082398118	-0.7829527455	-0.477864
+H	-0.9246689088	-1.1925320552	 3.1061090982	 0.128708
+H	-1.4032473619	 0.399961439	 2.4960760547	 0.133711
+H	-2.6192664489	-0.6861539432	 3.1546128451	 0.126854
+H	-2.4043602938	-2.2478202354	 1.2379335305	 0.096239
+H	-3.1511325013	-0.7574134031	-0.6550965842	 0.106494
+H	-0.5434063454	 1.8493971435	-0.8461292638	 0.135682
+H	-0.5115361152	 1.8671185115	 0.9280050294	 0.133791
+H	 0.2787277775	-2.8731097264	-0.3425158064	 0.141718
+H	-1.4203875175	-3.1412082744	-0.77442768	 0.11651
+H	-0.3737865191	-2.1709718588	-1.8256333737	 0.128141
+19
+0 3310	3.9029379	1.1202027	0.9363883	2.5474	75.98	-0.22749	-0.01611	0.21138	1264.7068	0.156831	-422.562807	-422.554412	-422.553468	-422.595812	31.807
+C	-4.2524832118	-1.7109437671	-1.9095395863	-0.419868
+C	-3.297340253	-1.0794147991	-0.9226004903	-0.045025
+C	-1.7985213377	-1.2534839692	-1.0832065258	-0.085888
+C	-0.8722752936	-1.2844449756	 0.1291756169	-0.337355
+C	-0.0330086799	-0.0130673628	 0.1734424997	 0.36316
+O	 1.1402084016	 0.0171159394	 0.4545046128	-0.303726
+C	-0.7980687595	 1.2665758535	-0.1823497328	-0.175839
+O	-2.1906768948	 1.0502391463	-0.3418005405	-0.250054
+C	-2.4511575452	 0.0888646572	-1.3268508888	 0.087612
+H	-4.4390598875	-2.7615364788	-1.6629511781	 0.123068
+H	-5.2154234292	-1.1891272736	-1.9158485516	 0.125687
+H	-3.8507642761	-1.67762049	-2.9277339749	 0.117144
+H	-3.6460754596	-1.0385643941	 0.1064189716	 0.095912
+H	-1.4565805406	-1.8083797931	-1.9513955199	 0.09627
+H	-1.4541867431	-1.3258500787	 1.0588555105	 0.13199
+H	-0.2017653587	-2.1459126644	 0.1257229712	 0.128569
+H	-0.6737151839	 1.9878725055	 0.630717068	 0.141243
+H	-0.3443351474	 1.7048276129	-1.0853716464	 0.121135
+H	-2.5307904601	 0.4845936517	-2.340035675	 0.085963
+19
+0 3311	3.2942596	1.2217991	1.0202854	4.4735	75.94	-0.25394	0.01326	0.2672	1211.6196	0.157905	-422.586341	-422.578068	-422.577124	-422.619159	31.391
+C	-4.1863521463	 1.7052348333	-1.4739850342	-0.419297
+C	-3.0300368075	 0.8798185938	-0.9550541864	-0.050991
+C	-2.218516326	 0.0064697175	-1.9006393797	-0.077484
+C	-1.6258693696	-1.3122980989	-1.4502619239	-0.237849
+C	-1.0526849379	-1.2163437767	-0.0285542955	-0.356593
+C	-0.192328577	 0.0110625191	 0.2248027	 0.408657
+O	 0.7643974458	 0.0119423319	 0.9500171815	-0.322745
+O	-0.5585140696	 1.1728842592	-0.3776562609	-0.225153
+C	-1.6166177505	 1.2490475713	-1.314122196	 0.110793
+H	-4.3935292379	 2.5563078342	-0.8166923668	 0.127459
+H	-3.9719143021	 2.1009688331	-2.472484258	 0.118138
+H	-5.0999521153	 1.1053165437	-1.5473417927	 0.123311
+H	-3.1643164588	 0.4940015302	 0.0518229029	 0.093147
+H	-2.4926801931	 0.0559326101	-2.9510838073	 0.092524
+H	-2.3684561074	-2.1168009643	-1.4951828997	 0.111072
+H	-0.8224391811	-1.5892517208	-2.1437730269	 0.117587
+H	-1.8657319716	-1.1919413475	 0.7070983701	 0.13906
+H	-0.4404196448	-2.0849244606	 0.2193167041	 0.13714
+H	-1.4542048492	 2.1207418612	-1.9380594008	 0.111225
+19
+0 3312	3.0389888	1.2533792	1.0973453	4.4118	75.54	-0.26012	0.01583	0.27595000000000003	1177.6491	0.158012	-422.590328	-422.582062	-422.581118	-422.623172	31.261
+C	-4.6068292717	 1.0189207424	-0.5023241569	-0.420892
+C	-3.2001825419	 0.4854208808	-0.3470229886	-0.014072
+C	-2.4585554924	-0.0482386723	-1.5478756715	-0.058424
+C	-1.4818208915	-1.1921785341	-1.403604511	-0.102747
+O	-0.8156031146	-1.2206372233	-0.1314737765	-0.223673
+C	-0.3323437315	-0.0835551847	 0.4348986446	 0.400061
+O	 0.3278370562	-0.1658977416	 1.4335289461	-0.324612
+C	-0.677817708	 1.2371852655	-0.2388819733	-0.361459
+C	-2.0305254106	 1.252515285	-0.9245874415	-0.054941
+H	-4.8473927637	 1.7380600514	 0.2880393995	 0.124019
+H	-4.7326032503	 1.5283648277	-1.4638138855	 0.114498
+H	-5.3455346054	 0.2114734188	-0.4556235604	 0.122501
+H	-3.0145427039	-0.0307545707	 0.5916191422	 0.10601
+H	-2.9680266092	-0.0250143375	-2.5073010103	 0.090894
+H	-1.9800170856	-2.1634859515	-1.4742071516	 0.127719
+H	-0.7250030674	-1.1478115922	-2.1993131743	 0.113729
+H	-0.5852378388	 2.0091049463	 0.5292893889	 0.139038
+H	 0.1100017373	 1.4359215547	-0.9793789718	 0.133356
+H	-2.2656258572	 2.1739076553	-1.4495796481	 0.088996
+19
+0 3313	3.4162186	1.1447395	0.9630089	2.1308	74.91	-0.2328	-0.0133	0.2195	1228.9338	0.157571	-422.574695	-422.566306	-422.565362	-422.608172	31.979
+O	-4.4586223726	 1.2683815486	-1.2870718895	-0.431735
+C	-3.2916208438	 0.7056823778	-0.7606475775	 0.090213
+C	-2.444882711	-0.0566198676	-1.7320868942	-0.046325
+C	-1.7390066657	-1.3429590946	-1.3460092287	-0.23762
+C	-1.0706681843	-1.268745923	 0.0406599355	-0.315578
+C	-0.1690246077	-0.0531550446	 0.180138944	 0.394989
+O	 0.9638362963	-0.1353139982	 0.5945395056	-0.309177
+C	-0.7647780336	 1.3012490628	-0.2109480312	-0.335171
+C	-1.9488269477	 1.2675729466	-1.168681867	-0.096035
+H	-4.6185730481	 2.1026252757	-0.8329245563	 0.285077
+H	-3.3901158264	 0.3212735957	 0.2562696604	 0.07796
+H	-2.8129699888	-0.0204262502	-2.7529269679	 0.100178
+H	-2.4410529801	-2.1848661614	-1.3686465622	 0.110409
+H	-0.968853242	-1.5616885309	-2.0963952133	 0.113048
+H	-1.8431851617	-1.2043727782	 0.8193149313	 0.122503
+H	-0.4752269465	-2.1606511244	 0.2476213263	 0.12175
+H	-1.036965304	 1.8047842169	 0.7289883628	 0.127183
+H	 0.0574601012	 1.8877193613	-0.631074584	 0.134155
+H	-2.0137538436	 2.1162916777	-1.842742454	 0.094177
+19
+0 3314	3.7589297	1.1132674	0.9261408	0.9213	78.91	-0.22454	0.01835	0.24289	1283.2485	0.156485	-422.541552	-422.53288	-422.531935	-422.574533	32.909
+C	 1.2750531313	 0.8505940443	-0.0277255657	-0.480767
+C	-0.0128380926	 0.0922665886	 0.1062082258	 0.293303
+C	-0.0952368859	-1.2366518707	 0.1971775725	-0.186922
+C	-1.4033801341	-1.9044344748	 0.3925919784	-0.118596
+C	-2.3271796033	-2.2031965263	-0.7682569267	 0.049841
+O	-3.0638038598	-3.3833420072	-0.6677382992	-0.422068
+C	-2.6256745116	-1.0504166111	 0.1591482438	 0.025447
+O	-2.4295209553	 0.2353313107	-0.3508107318	-0.257122
+C	-1.2856945773	 0.9131562029	 0.155624547	-0.156696
+H	 1.3885020101	 1.586593053	 0.7792101827	 0.125702
+H	 2.1382281924	 0.1804568935	 0.0052679302	 0.124707
+H	 1.3121420128	 1.4139738158	-0.9692398369	 0.12655
+H	 0.798272719	-1.8546454383	 0.1489946127	 0.085971
+H	-1.4714453865	-2.6258957249	 1.2024574308	 0.105468
+H	-1.973087505	-1.9287796726	-1.7618994123	 0.094777
+H	-3.9217038786	-3.2335847546	-1.0801989992	 0.288945
+H	-3.4715554803	-1.150570539	 0.8380374607	 0.089296
+H	-1.182794112	 1.8095869436	-0.4657584838	 0.110709
+H	-1.4659678134	 1.2585633971	 1.188504071	 0.101455
+19
+0 3315	2.3378158	1.882677	1.4692113	2.314	73.96	-0.23783	-0.01634	0.22149000000000002	978.2607	0.158698	-422.593314	-422.585602	-422.584658	-422.625321	30.028
+C	-0.7237588945	 2.1812649861	 1.2117837844	-0.416206
+C	-0.9799702849	 1.2048057188	 0.0666009659	-0.093923
+C	-2.335152411	 0.461915193	 0.0629317997	 0.08822
+C	-2.072603738	-0.7006190446	-0.9080510387	-0.252482
+C	-0.9020590331	-1.2440466487	-0.0575810021	-0.155684
+C	-1.6171587879	-1.3337894609	 1.3137887883	-0.08779
+O	-2.5008270324	-0.1990395228	 1.3292345536	-0.276681
+C	-0.0126700481	-0.0019652979	 0.0567693576	 0.423812
+O	 1.1853861981	 0.0376085465	 0.1588914724	-0.338668
+H	-0.9864566317	 1.723196534	 2.1688401213	 0.135063
+H	 0.3330134046	 2.4602718288	 1.2349336965	 0.136406
+H	-1.320614337	 3.0909566746	 1.096002622	 0.114069
+H	-0.8586331669	 1.7226660338	-0.8956658072	 0.100539
+H	-3.2134336064	 1.0827384301	-0.1151310521	 0.0818
+H	-2.9147361359	-1.3931802875	-0.9766528979	 0.113129
+H	-1.7762991661	-0.3797494652	-1.9097610717	 0.110057
+H	-0.3860269596	-2.1508282535	-0.3670492421	 0.090336
+H	-2.201160213	-2.259698639	 1.3932674263	 0.108649
+H	-0.9270638762	-1.2817736458	 2.1630135439	 0.119354
+19
+0 3316	2.4891271	1.7948202	1.3656458	2.554	73.79	-0.2306	-0.01884	0.21176	1009.8171	0.158817	-422.595775	-422.588016	-422.587072	-422.627911	30.092
+C	-0.8055481615	 2.0152031495	 1.3119201797	-0.415302
+C	-1.0383847934	 1.1852655773	 0.0439347835	-0.094596
+C	-2.3610121864	 0.3873938141	 0.0540984652	 0.06557
+C	-2.6359943807	-0.2301716415	-1.3363516651	-0.231929
+C	-1.6033691942	-1.3977482589	-1.3650565617	-0.236892
+C	-0.9379723915	-1.2377724697	 0.026776812	-0.037196
+O	-2.0118050569	-0.7653307228	 0.8492267936	-0.265617
+C	-0.0431088783	 0.0069252456	-0.0440912016	 0.421693
+O	 1.1534836034	 0.0641982794	-0.1384217626	-0.330075
+H	-0.9821746649	 1.4079187663	 2.2043314505	 0.135428
+H	 0.2254641933	 2.3780133165	 1.342087801	 0.137132
+H	-1.4780048585	 2.878062879	 1.3421270588	 0.116207
+H	-0.9240231578	 1.81802516	-0.8425215236	 0.09584
+H	-3.2040920622	 0.8996300593	 0.5182885742	 0.083566
+H	-3.6596503868	-0.6052670728	-1.3941541629	 0.111949
+H	-2.4930622608	 0.4887416268	-2.1468216173	 0.106543
+H	-2.0968284676	-2.3694920322	-1.4302210237	 0.117793
+H	-0.8834016562	-1.3252760227	-2.1838477241	 0.120287
+H	-0.4706856691	-2.1228196532	 0.4538079543	 0.099599
+19
+0 3317	2.4984149	1.7795198	1.3672749	3.5012	74.23	-0.22692	-0.01981	0.20711000000000002	1005.9644	0.158708	-422.588969	-422.581252	-422.580308	-422.620974	30.062
+C	-0.634243256	 2.1627393579	-1.1471564232	-0.421117
+C	-1.0220554836	 1.1957880228	-0.0227955857	-0.085649
+C	-2.3727991886	 0.4554646666	-0.2056274311	-0.060118
+C	-2.6883797023	-0.2489128922	 1.1202081034	-0.080262
+O	-1.6705890585	-1.2677678125	 1.2174220941	-0.281898
+C	-0.9357446648	-1.2445420266	-0.0229850608	-0.003816
+C	-1.969952773	-0.7812524345	-1.0517595058	-0.258412
+C	-0.038635213	 0.0022504095	 0.0726581142	 0.442957
+O	 1.1561625582	 0.0599521412	 0.1850988115	-0.33579
+H	-0.7044029088	 1.6914869887	-2.1328757127	 0.119834
+H	-1.2867865307	 3.0410174065	-1.1468112868	 0.118109
+H	 0.3978816356	 2.4961948292	-1.0102329985	 0.142951
+H	-0.9965257827	 1.7399126632	 0.9289398324	 0.101645
+H	-3.1851014926	 1.070312935	-0.5952183742	 0.07531
+H	-2.6158645463	 0.4160202395	 1.9882891617	 0.106026
+H	-3.6798404525	-0.7197936081	 1.122026024	 0.100208
+H	-0.4190608416	-2.1929677517	-0.1552978886	 0.092412
+H	-1.5346608281	-0.5299793447	-2.0223641349	 0.113578
+H	-2.7803576306	-1.50077828	-1.1903767194	 0.114031
+19
+0 3318	2.5097117	1.7704614	1.3701475	2.3371	73.83	-0.23518	-0.02256	0.21262	997.4578	0.159628	-422.602484	-422.594892	-422.593948	-422.634423	30.029
+O	-0.8004151964	 1.90408823	 1.2754210503	-0.451689
+C	-1.0384370601	 1.1650924557	 0.089978253	 0.058132
+C	-2.4101031472	 0.4738122094	 0.1326633299	-0.028469
+C	-2.6669792592	-0.1323566687	-1.2659456497	-0.22437
+C	-1.6672397552	-1.3323543109	-1.3280862214	-0.22685
+C	-0.9599353306	-1.2912505299	 0.0578549386	-0.120676
+C	-2.1041196458	-0.7876508032	 0.9756398702	-0.240349
+C	-0.0772645142	-0.0548102982	 0.0577410637	 0.398254
+O	 1.1226872255	 0.0275809664	 0.1370685844	-0.349048
+H	 0.1585562359	 1.9730652571	 1.3676341828	 0.292632
+H	-0.9111026067	 1.7969531613	-0.8022773028	 0.07937
+H	-3.2027409577	 1.1242576694	 0.5034680851	 0.077992
+H	-3.7008842237	-0.4763296308	-1.3517494961	 0.105131
+H	-2.4996287561	 0.5928564018	-2.0677100284	 0.10358
+H	-2.1919283171	-2.2851621859	-1.4387062507	 0.110835
+H	-0.9590360452	-1.2556478797	-2.1573464289	 0.114173
+H	-0.4330163862	-2.2032259158	 0.3351250308	 0.081843
+H	-2.9413487369	-1.4897029075	 1.0232534529	 0.100189
+H	-1.7751411531	-0.5482348307	 1.9894768565	 0.119321
+19
+0 3319	2.7843486	1.247551	0.9935652	2.1394	75.65	-0.24044	-0.0296	0.21083999999999997	1237.8861	0.156152	-422.558986	-422.550285	-422.549341	-422.592756	31.804
+C	 2.2390970448	-0.9154217943	-1.4154318127	-0.422625
+C	 1.4815445514	-0.3961377066	-0.2137116467	-0.025851
+C	 1.8626117159	 0.9303890974	 0.3953828434	-0.065338
+C	 0.8013264346	 1.6390253481	 1.2134932578	-0.112075
+O	 0.2476904323	 0.6440889621	 2.0854105005	-0.270467
+C	 1.2408891262	-0.3451904536	 2.3404588522	-0.005585
+C	 1.9876805252	-0.046394332	 3.640675925	 0.13263
+O	 3.0759289982	-0.4799047328	 3.9155008454	-0.243496
+C	 2.1576609182	-0.3587838443	 1.1330688042	-0.060354
+H	 2.1793084842	-2.0070857303	-1.4809631711	 0.122338
+H	 1.8367698905	-0.5014174749	-2.3463335398	 0.120732
+H	 3.2987863648	-0.6442804146	-1.3616530112	 0.117358
+H	 0.4190855869	-0.6325690006	-0.2019189798	 0.094676
+H	 2.6553251061	 1.5187752243	-0.0524548139	 0.092185
+H	 1.2509171535	 2.4624914807	 1.7901474424	 0.098401
+H	-0.0312904836	 2.0433914091	 0.6283515715	 0.113511
+H	 0.7051793648	-1.2943876026	 2.494302102	 0.113522
+H	 1.4143486633	 0.6096366358	 4.3349775945	 0.090279
+H	 3.1629605027	-0.7384527109	 1.2655622665	 0.11016
+19
+0 3320	3.0988495	1.1161317	0.9223995	2.4638	76.51	-0.24005	-0.0241	0.21595	1297.6043	0.15641	-422.552609	-422.543892	-422.542948	-422.586425	31.851
+C	-0.0586709266	 0.1378556228	-0.0965093075	-0.420545
+C	 1.4490188121	 0.1215030832	 0.0232927339	-0.075051
+C	 2.231272198	-0.9874806726	-0.631914257	 0.111755
+O	 3.5629090425	-0.7596257919	-1.0117290378	-0.252754
+C	 4.2623444612	-0.2246763358	 0.1060557471	-0.129116
+C	 3.5144109423	-0.688689751	 1.39151268	-0.116033
+C	 4.1233335976	-1.9633919249	 1.9379119682	 0.154501
+O	 4.5219227486	-2.1065235232	 3.0647810166	-0.252847
+C	 2.1066285051	-0.9639779751	 0.8667427019	-0.101635
+H	-0.5223183875	 0.6275812791	 0.7666235014	 0.124646
+H	-0.3759333587	 0.6713858936	-0.9986971265	 0.125907
+H	-0.4612478768	-0.8792205055	-0.1536404923	 0.117514
+H	 1.9164135803	 1.1027746617	 0.0398000488	 0.092776
+H	 1.7418039117	-1.7104552306	-1.2744932969	 0.104266
+H	 5.2977533663	-0.5770993131	 0.0537714636	 0.121469
+H	 4.2797460912	 0.8721721757	 0.0677599074	 0.112899
+H	 3.5543768935	 0.0715381989	 2.1763486795	 0.098764
+H	 4.1843571777	-2.7915046017	 1.1935482132	 0.084517
+H	 1.4750277914	-1.6614910695	 1.4064016764	 0.098967
+19
+0 3321	2.976955	1.1098577	0.915124	1.9997	75.9	-0.242	-0.02009	0.22191	1285.5676	0.156911	-422.565285	-422.55666	-422.555716	-422.598984	32.119
+O	-2.2291075364	 2.3445238079	-1.4329685051	-0.430731
+C	-0.9038330075	 1.9900341233	-1.6982135128	 0.078714
+C	-0.6871544084	 0.5340612202	-1.9730318683	-0.043495
+C	 0.5158694241	 0.1391610607	-2.8132361574	-0.227639
+C	 1.7126984045	 0.9003484959	-2.1909110365	-0.262051
+C	 1.3486144294	 1.1521869377	-0.6951152016	-0.09151
+C	 1.8765815021	 0.0371703886	 0.1835045403	 0.162032
+O	 2.5701589039	 0.1941376698	 1.1551436205	-0.253663
+C	-0.1799819932	 1.1424709056	-0.6734175415	-0.103281
+H	-2.2241663251	 3.0566597073	-0.7844054834	 0.287664
+H	-0.3369115401	 2.7286635435	-2.2671153185	 0.083637
+H	-1.5737786223	-0.0892317	-1.9774360872	 0.099012
+H	 0.6654999558	-0.9438459258	-2.7379730548	 0.108116
+H	 0.3970449361	 0.3727244204	-3.8766841111	 0.106587
+H	 2.6553683222	 0.3559108941	-2.3010756837	 0.1123
+H	 1.8539924097	 1.8650635635	-2.6855109453	 0.117761
+H	 1.7776853943	 2.0875800877	-0.3220332983	 0.088632
+H	 1.5666108063	-0.9857162176	-0.1385422656	 0.071631
+H	-0.6978763851	 0.9653932971	 0.2632689803	 0.096284
+19
+0 3322	2.1754311	1.7334125	1.4361378	2.671	74.45	-0.22978	-0.0155	0.21428000000000003	1019.4998	0.15699	-422.572036	-422.563387	-422.562443	-422.604792	32.862
+C	-0.8652845812	-2.4527973499	-0.4559976011	-0.503817
+C	-1.1165933485	-1.0243809319	-0.0488400189	 0.161812
+C	-1.8302011969	-0.7338265549	 1.2963059865	-0.280799
+C	-1.8326635975	 0.8386107311	 1.2937468901	-0.253359
+C	-1.1247381236	 1.1039816331	-0.0544188292	-0.191689
+C	-1.8113191236	 0.0418034515	-0.9871504287	 0.124416
+O	-3.1986438227	 0.0309660082	-1.164206856	-0.443435
+C	-0.0109806957	 0.0458445662	 0.0165197158	 0.409631
+O	 1.1847578772	 0.0410355317	-0.0163339941	-0.325615
+H	-0.307718205	-2.990378434	 0.3182456104	 0.127352
+H	-1.8084673129	-2.9848375727	-0.6217155893	 0.124527
+H	-0.2807612332	-2.5024296012	-1.3798453961	 0.127934
+H	-2.8375179923	-1.1638871757	 1.3171232885	 0.101365
+H	-1.2834603507	-1.1525203438	 2.1449625463	 0.117782
+H	-2.8409153402	 1.2648806734	 1.3176375717	 0.103374
+H	-1.2844725302	 1.2616700637	 2.1383251084	 0.121421
+H	-0.9451442226	 2.1323384416	-0.3589050848	 0.08604
+H	-1.3764533777	 0.0366395974	-1.9888602206	 0.104983
+H	-3.6309349028	 0.080291906	-0.3058443689	 0.288078
+19
+0 3323	2.1858507	1.7011005	1.4589668	2.2767	74.78	-0.23067	-0.00811	0.22255999999999998	1021.8681	0.15717	-422.572748	-422.5642	-422.563256	-422.605382	32.722
+C	-3.1994648369	-0.0627539747	-1.1475877372	-0.440368
+C	-1.698767175	-0.0574664745	-0.8978441399	-0.030997
+C	-1.0084994439	 1.0493495425	-0.0205044629	-0.168295
+C	-1.7327076001	 0.910279124	 1.3413528702	-0.231049
+C	-1.7782557783	-0.650196836	 1.4751926795	-0.258895
+C	-1.057844272	-1.0460846592	 0.1735645378	 0.2968
+O	-0.8700896615	-2.3988396178	-0.0309079487	-0.485209
+C	 0.0829058574	-0.0219289033	 0.1287031931	 0.363149
+O	 1.2709751299	-0.102040996	-0.0058587021	-0.340873
+H	-3.7860230054	 0.0767451258	-0.2365423625	 0.123253
+H	-3.4777600996	 0.7329544345	-1.8461733167	 0.12278
+H	-3.4998432865	-1.0172445863	-1.5922523642	 0.132122
+H	-1.1636112942	-0.1636880963	-1.8476185595	 0.086349
+H	-0.7931071187	 2.0435827234	-0.4036084187	 0.085524
+H	-1.1701425555	 1.382611343	 2.1504366498	 0.114078
+H	-2.7277833177	 1.3604629666	 1.3226189426	 0.110085
+H	-1.2394466078	-1.0222873383	 2.3498958952	 0.115289
+H	-2.7941404259	-1.0505462984	 1.512382061	 0.112484
+H	-0.0392968984	-2.513521619	-0.5082732069	 0.293773
+19
+0 3324	2.2267377	1.7264385	1.4618327	2.6362	75.41	-0.22228	-0.01609	0.20619	1022.1615	0.156173	-422.556945	-422.548285	-422.547341	-422.589758	32.657
+C	-3.2496921202	 0.0084425155	-1.294900696	-0.440552
+C	-1.7470743421	 0.0567225036	-1.0628104446	-0.026415
+C	-1.116342919	 1.0939301533	-0.0560256186	-0.215273
+C	-1.8292890233	 0.7075178328	 1.2476570474	-0.091849
+O	-1.809804416	-0.7409142909	 1.1506341795	-0.311269
+C	-1.099431999	-0.9868121798	-0.0848927578	 0.295312
+C	-0.9306099313	-2.4511863137	-0.3475079019	-0.502574
+C	 0.0343383811	 0.0628689529	 0.0060386699	 0.413523
+O	 1.2270080129	 0.079729844	-0.0346131527	-0.320961
+H	-3.7923973478	-0.1949945338	-0.3693976428	 0.140236
+H	-3.6151388045	 0.9513456881	-1.7141085775	 0.122034
+H	-3.4966461589	-0.7870862234	-2.0052124904	 0.124633
+H	-1.1999258992	 0.0820882706	-2.0108263226	 0.093506
+H	-0.9682769378	 2.1465229665	-0.2849329046	 0.091138
+H	-1.2873432863	 1.0338396331	 2.14271657	 0.116773
+H	-2.8638636528	 1.0618201834	 1.3113977319	 0.107743
+H	-0.3976876443	-2.9251611482	 0.4815262469	 0.1425
+H	-1.9029919904	-2.9421790165	-0.4536702254	 0.131234
+H	-0.3546908712	-2.6085767575	-1.2634572306	 0.130259
+19
+0 3325	2.2054014	1.7224926	1.4407186	2.8392	75.15	-0.22353	-0.01756	0.20597000000000001	1027.3509	0.156194	-422.55324	-422.544538	-422.543594	-422.586144	32.632
+C	-3.1972074455	 0.0616729992	-1.0616648169	-0.440953
+C	-1.678471512	 0.0424026778	-0.9703231693	-0.028992
+C	-0.9628527892	 1.0947267629	-0.0668207413	-0.043823
+O	-1.5518816549	 0.880368732	 1.22565395	-0.277129
+C	-1.5400693344	-0.5670163722	 1.3451859588	-0.11864
+C	-0.9407598127	-0.9844813219	-0.0101079321	 0.12925
+C	-0.7406527937	-2.4451004275	-0.316121321	-0.506542
+C	 0.1921436132	 0.0708910659	-0.0741771493	 0.418533
+O	 1.3737417914	 0.0540474025	-0.2427949405	-0.321564
+H	-3.6531922148	 0.2991888417	-0.098323091	 0.142094
+H	-3.5239870528	 0.8206646504	-1.7793412281	 0.125489
+H	-3.5841906658	-0.9043390381	-1.4028628365	 0.121748
+H	-1.2192519464	 0.0073382211	-1.9639430139	 0.093534
+H	-0.8798448798	 2.1562223259	-0.2847004825	 0.09749
+H	-0.9141713872	-0.8710171064	 2.1929540998	 0.114354
+H	-2.5591252086	-0.9358689609	 1.5084999348	 0.10593
+H	-0.1263530542	-2.9249302501	 0.4531613331	 0.133096
+H	-1.6964659638	-2.9788605264	-0.3605404222	 0.123314
+H	-0.2316739189	-2.5773604758	-1.2755447121	 0.132812
+19
+0 3326	2.212891	1.9763501	1.5883095	1.8069	74.52	-0.23436	-0.00444	0.22992	952.6489	0.158018	-422.564829	-422.557056	-422.556112	-422.596322	31.463
+C	 2.2410046552	-1.7530004673	-1.7153381989	-0.497975
+C	 0.8244825997	-1.5606146853	-1.2138598074	 0.209486
+C	-0.3202702489	-1.7723598954	-2.2472366479	-0.096195
+O	-1.4617982394	-1.1268457057	-1.663457226	-0.276155
+C	-1.0154325536	-0.5947019042	-0.3889595617	 0.021922
+C	-0.7116159178	-1.7771302543	 0.5177906544	-0.116641
+C	 0.3867567604	-2.3556178229	 0.0120256766	-0.135165
+C	 0.4110816433	-0.1230759534	-0.7452800718	 0.125127
+O	 1.190368361	 0.4351118052	 0.2765513199	-0.44902
+H	 2.9588492772	-1.4110925162	-0.9633236052	 0.129225
+H	 2.453615572	-2.8044968244	-1.9368510267	 0.115834
+H	 2.4166801334	-1.1764875812	-2.6298153881	 0.118612
+H	-0.0800042813	-1.2914134267	-3.2047881812	 0.099718
+H	-0.537987301	-2.831664076	-2.4301679983	 0.097619
+H	-1.7416378294	 0.1427627848	-0.052670167	 0.078568
+H	-1.3405928155	-2.1364194937	 1.3220956186	 0.107161
+H	 0.8465962918	-3.2856668546	 0.3264131466	 0.101617
+H	 0.4058494017	 0.6019325143	-1.5636698072	 0.091495
+H	 1.1739264611	-0.1890644229	 1.0138257712	 0.274766
+19
+0 3327	2.1646647	2.0458025	1.6036321	1.6375	74.82	-0.2324	-0.00217	0.23023	949.1544	0.157809	-422.568523	-422.560733	-422.559789	-422.600018	31.575
+C	 1.5759324493	-2.576969627	-1.691954036	-0.494046
+C	 0.4570981017	-1.7090395697	-1.1784916016	 0.372667
+O	-0.5897550184	-1.5997318186	-2.1902512389	-0.30893
+C	-1.4026229571	-0.475779335	-1.8243294992	-0.076046
+C	-0.7460097822	 0.057607054	-0.5210073618	-0.14321
+C	-0.952652514	-1.0346591896	 0.5156241071	-0.114053
+C	-0.2393360554	-2.0989204404	 0.1221025764	-0.137141
+C	 0.7401813738	-0.2072787642	-0.9038199812	 0.123466
+O	 1.7069368901	 0.087909166	 0.0666082917	-0.449682
+H	 2.415248428	-2.5490285348	-0.9907545169	 0.127262
+H	 1.2505295094	-3.6150684337	-1.8085271052	 0.123199
+H	 1.9216213814	-2.2151340385	-2.6641286199	 0.127143
+H	-1.3713163208	 0.2744583838	-2.6245182394	 0.102372
+H	-2.4417231756	-0.7934645946	-1.6777159925	 0.09912
+H	-1.0221029393	 1.0744048203	-0.2450623998	 0.07447
+H	-1.6474538942	-0.9776782264	 1.3446693096	 0.103686
+H	-0.2293830502	-3.0903997846	 0.5582044522	 0.103681
+H	 1.0480210997	 0.3109505424	-1.8161377973	 0.09134
+H	 1.4311925837	-0.3549329593	 0.8797158426	 0.274704
+19
+0 3328	2.2047766	1.9675596	1.5858511	1.5334	74.39	-0.23923	0.00313	0.24236	955.5925	0.157406	-422.561246	-422.55323	-422.552286	-422.593001	31.996
+C	 0.7198257846	 0.9230447025	-0.2414986589	-0.435399
+C	 0.8793527479	-0.5702352917	 0.0084096515	 0.008742
+C	 1.6061869923	-1.4339501271	-1.0421049147	 0.040362
+O	 1.5527011635	-2.7575105363	-0.4186635573	-0.27668
+C	 1.7474577276	-2.5344761782	 0.9784710571	-0.123263
+C	 1.9171984842	-0.9815501755	 1.090144787	 0.335076
+O	 1.6880280495	-0.4211729621	 2.3524878043	-0.501833
+C	 3.2280089051	-0.6797582933	 0.3764396843	-0.160893
+C	 3.0427198498	-0.951511215	-0.9194228245	-0.076411
+H	 0.3452521839	 1.4128939953	 0.6623194244	 0.131194
+H	 1.6658150856	 1.3954723578	-0.5157666855	 0.120856
+H	-0.0004995478	 1.1054952531	-1.0457237657	 0.11101
+H	-0.0975280602	-1.0130451217	 0.2312086999	 0.081948
+H	 1.1767757648	-1.5209526065	-2.0384707635	 0.074844
+H	 0.8656222741	-2.8585419714	 1.5453520333	 0.102544
+H	 2.6280028871	-3.0850471657	 1.3341553508	 0.085818
+H	 2.3996701779	-0.6866295803	 2.9440766237	 0.281826
+H	 4.1499270859	-0.4156038688	 0.8818827544	 0.095534
+H	 3.7808494141	-0.9649025052	-1.7107613606	 0.104726
+19
+0 3329	2.2201388	1.9630137	1.5885666	1.8202	74.06	-0.24567	0.00481	0.25048	947.2464	0.158966	-422.580694	-422.573147	-422.572203	-422.611897	31.385
+O	 0.4273506586	 0.0606765213	 0.5601511354	-0.462775
+C	-0.8566878274	 0.5003236703	 0.9382220047	 0.103163
+C	-2.0657507176	 0.0583469965	 0.0783382253	-0.109168
+C	-3.2085723236	 0.817690978	 0.8374015253	-0.216053
+C	-2.5345696731	 2.1665707557	 1.2488999645	-0.240999
+C	-1.0981566769	 2.0128228342	 0.6803031314	 0.387239
+O	-0.1680846602	 2.8929056445	 1.2444491227	-0.514419
+C	-1.2262284385	 2.0056756117	-0.8418303847	-0.173144
+C	-1.7924712863	 0.8455714038	-1.1968671	-0.10578
+H	 0.4957413414	 0.2042168176	-0.3934589771	 0.275759
+H	-0.9629729469	 0.2412438791	 1.99570001	 0.085387
+H	-2.2291845564	-1.0132444847	-0.0363707497	 0.067769
+H	-4.08426798	 0.9612299448	 0.2011072946	 0.10383
+H	-3.5269641275	 0.2484170823	 1.7155961245	 0.103687
+H	-3.0449457762	 3.0425949807	 0.8440565743	 0.105309
+H	-2.4790557499	 2.2815915339	 2.3350311321	 0.108903
+H	 0.694532242	 2.4677324171	 1.1505900816	 0.278846
+H	-0.9814276093	 2.8550180971	-1.4679736963	 0.102774
+H	-2.1146475025	 0.546421146	-2.1871369385	 0.09967
+19
+0 3330	2.5453878	1.9472744	1.549368	1.0557	74.48	-0.23559	0.04793	0.28352	940.5989	0.157866	-422.467783	-422.460501	-422.459557	-422.498916	29.676
+C	-0.1593487937	-0.0025449877	 0.1592741032	-0.440062
+C	 1.3524252239	 0.0861192861	 0.009797759	 0.001204
+C	 2.2498142496	-0.5266020722	 1.1214333254	-0.154423
+C	 3.6401393265	-0.2386488459	 0.4399620678	-0.098298
+O	 3.4613301865	 1.1192693352	-0.1140880132	-0.346128
+C	 2.1869210408	 1.3602149709	 0.4446889955	 0.375355
+C	 1.391191013	 2.5450093329	 0.9723400972	-0.188824
+O	 1.0309779659	 1.6953143565	 2.1173506188	-0.304163
+C	 2.1935053683	 0.8336196702	 1.8697106598	 0.095432
+H	-0.4986776562	 0.2289358339	 1.1682197465	 0.146388
+H	-0.6584756939	 0.6820253269	-0.5363143355	 0.11267
+H	-0.4910301415	-1.0154581338	-0.0961565855	 0.110026
+H	 1.6365684591	-0.2189979991	-1.0023806453	 0.075663
+H	 2.1264130073	-1.5254098569	 1.546175105	 0.072117
+H	 4.4846142911	-0.2282286557	 1.1378624393	 0.110653
+H	 3.8441891589	-0.9388605999	-0.3743585947	 0.117949
+H	 1.9929750048	 3.4039806065	 1.2929137171	 0.11755
+H	 0.5097383599	 2.8758872442	 0.4159436527	 0.116016
+H	 2.9900114794	 1.0627735778	 2.5836327669	 0.080876
+19
+0 3331	2.5761114	1.9160065	1.5333838	1.6398	74.44	-0.2408	0.05928	0.30008	942.8155	0.158336	-422.473641	-422.466404	-422.465459	-422.504735	29.467
+C	 2.0895031603	 0.7199273486	 1.2285368789	-0.446635
+C	 1.7451615874	-0.6044946502	 0.5615485336	 0.01457
+C	 2.6242685948	-1.8344210382	 0.8190593628	 0.030555
+O	 1.8961586873	-2.8735972417	 0.089955837	-0.296239
+C	 1.4972574259	-2.2261432885	-1.1748823087	-0.173286
+C	 2.2155129376	-0.919711396	-0.9320037647	 0.19054
+C	 3.0588715429	 0.1693201226	-1.5870067246	-0.189288
+O	 4.1313517918	-0.1097777446	-0.6317276028	-0.299833
+C	 3.5579437514	-1.4170613986	-0.342751874	 0.111656
+H	 1.7935512952	 0.6807527974	 2.282676957	 0.114955
+H	 3.1519446825	 0.9564369706	 1.1760033969	 0.149219
+H	 1.5296581473	 1.5426358847	 0.7693178652	 0.113677
+H	 0.6835843357	-0.8229603593	 0.7139575732	 0.076599
+H	 2.9037196383	-2.239411886	 1.7922271684	 0.075714
+H	 1.8826651466	-2.8079888589	-2.0174424792	 0.110306
+H	 0.4045958327	-2.178885178	-1.2274530057	 0.10513
+H	 3.3826111499	-0.0469274946	-2.6133284705	 0.110367
+H	 2.7083160037	 1.2031397083	-1.5147974567	 0.114042
+H	 4.1463704889	-2.2208936275	-0.7943826962	 0.087952
+19
+0 3332	2.5228352	1.9420051	1.527717	1.2299	74.16	-0.24506	0.05638	0.30144	944.9013	0.158413	-422.469355	-422.46209	-422.461146	-422.50054	29.548
+C	 1.4657906074	 1.3810703496	 0.0234311898	-0.448773
+C	 1.2427058863	-0.1276200155	 0.0498826963	-0.015684
+C	 1.9918076789	-1.0050493202	 1.0614536494	 0.036619
+O	 1.4060651316	-2.3224034084	 0.7625213419	-0.293919
+C	 1.3982207001	-2.3986324195	-0.7039690816	-0.157536
+C	 2.0914810594	-1.0669539929	-0.9159046751	 0.383534
+O	 2.865751331	-0.4679448791	-1.9392713077	-0.345631
+C	 3.8696924522	-0.1261578715	-0.9137413245	-0.14892
+C	 3.2253553013	-1.0965244286	 0.1286635828	-0.092489
+H	 0.6355242225	 1.885924767	 0.525590705	 0.119003
+H	 2.3808621355	 1.6908860591	 0.5337988217	 0.121671
+H	 1.5085494925	 1.7515336136	-1.0063184979	 0.135325
+H	 0.1718607986	-0.3460551818	 0.0264011997	 0.077572
+H	 1.9924131315	-0.8805665007	 2.144029965	 0.079833
+H	 1.9771761206	-3.2638307069	-1.0398656773	 0.111345
+H	 0.3664285398	-2.4734726255	-1.0622092433	 0.106623
+H	 4.8593631971	-0.4601986921	-1.2351196223	 0.120243
+H	 3.8892934575	 0.9451381056	-0.7135833752	 0.117706
+H	 3.8064325064	-2.0099091722	 0.2575604233	 0.093478
+19
+0 3333	2.6621344	1.8831933	1.5678226	2.4072	74.06	-0.24042	0.05933	0.29975	930.1551	0.159726	-422.498556	-422.491721	-422.490777	-422.529181	28.895
+O	 0.6501946638	 0.2494860617	 0.8894283003	-0.456673
+C	-0.7355265278	 0.3434943177	 0.7494895495	 0.156059
+C	-1.6012824081	 0.5282312795	 2.0215087559	-0.13326
+C	-3.0074704438	 0.656572364	 1.3371386281	-0.220208
+C	-2.9502104346	-0.4894316084	 0.2269678267	-0.336737
+C	-1.5866965861	-1.0077973843	 0.6373951863	 0.249278
+C	-0.6956863198	-2.239118097	 0.7445438193	-0.213293
+O	-0.4000045278	-1.8597385741	 2.1386821063	-0.335395
+C	-1.5991245086	-1.0077186082	 2.1734999115	 0.112657
+H	 0.8148977906	-0.4085580789	 1.581262862	 0.291637
+H	-0.9143838435	 1.0574912677	-0.0595387362	 0.076709
+H	-1.3736409351	 1.2527538928	 2.8056658355	 0.066658
+H	-3.8264853265	 0.4898054319	 2.0417564467	 0.108548
+H	-3.1344287034	 1.6508003479	 0.9021033485	 0.111926
+H	-3.7547414135	-1.2183239996	 0.3537971172	 0.105924
+H	-3.0046383289	-0.0876531222	-0.7883255516	 0.105974
+H	-1.209926483	-3.2068539548	 0.7111019026	 0.111678
+H	 0.213747169	-2.2627670426	 0.1379748928	 0.122861
+H	-2.3805343427	-1.4829333333	 2.7753235885	 0.075656
+19
+0 3334	2.7403994	1.7127179	1.5514049	0.8051	73.94	-0.22763	0.06971	0.29734	951.5312	0.159086	-422.498572	-422.491386	-422.490442	-422.529536	29.762
+O	 0.599791349	 0.6716071275	 0.5569764883	-0.446141
+C	-0.7768417183	 0.7313997034	 0.8306838125	 0.100157
+C	-1.2521492564	-0.1006505108	 2.0245339975	-0.104591
+C	-0.312978751	 0.4954209269	 3.1416956525	-0.204117
+C	-0.3646471522	 2.0537594269	 2.8285071733	-0.305433
+C	-1.3773276051	 1.9043021275	 1.7117301707	 0.412426
+O	-2.312083292	 2.7656364705	 1.0573762573	-0.36401
+C	-3.2876443318	 1.6659542652	 1.1280269295	-0.161679
+C	-2.429326226	 0.9026101017	 2.1879510275	-0.084545
+H	 0.787723792	 1.2654739612	-0.1763039203	 0.287734
+H	-1.370105751	 0.5747800115	-0.0748308061	 0.069908
+H	-1.3398913089	-1.1873083967	 1.996990349	 0.065278
+H	-0.6912742465	 0.2717620599	 4.1423854155	 0.098084
+H	 0.6988362147	 0.1000744765	 3.0504357062	 0.121243
+H	-0.7379924119	 2.6421928168	 3.6691557446	 0.102739
+H	 0.6087126381	 2.4366204571	 2.5150096451	 0.104453
+H	-4.2429764981	 2.0283745814	 1.5158653034	 0.114465
+H	-3.4444023886	 1.1996193233	 0.1505939334	 0.112176
+H	-2.835259886	 1.0020134001	 3.1955830101	 0.081853
+19
+0 3335	2.5421169	1.9323343	1.554312	2.122	74.72	-0.22506	0.06656	0.29162	936.3861	0.15832	-422.48549	-422.478166	-422.477222	-422.516589	30.156
+O	 0.0959306593	-0.5010344194	 0.8828596373	-0.44322
+C	-0.5540022893	 0.6982043184	 1.2234908414	 0.094199
+C	-1.2404554247	 0.7986414889	 2.6181697036	-0.17821
+C	-1.8060013055	 2.2465378357	 2.4197411507	-0.091477
+O	-2.3020993845	 2.2070186072	 1.035777138	-0.343102
+C	-2.0608598834	 0.8309318974	 0.7834800775	 0.434523
+C	-2.6484129321	-0.2003074419	-0.1713536233	-0.333087
+C	-2.5734829687	-1.1982463219	 1.0569636999	-0.26987
+C	-2.463283136	 0.037439053	 2.0331099102	-0.030798
+H	 0.8805279288	-0.5794599581	 1.4343221987	 0.286579
+H	 0.047946224	 1.566473239	 0.92384988	 0.071617
+H	-0.7332500833	 0.6119421787	 3.5688975694	 0.061445
+H	-2.6324398942	 2.489844641	 3.096485845	 0.107455
+H	-1.0288697874	 3.0127443558	 2.5043705989	 0.10644
+H	-3.6827395051	 0.0253609096	-0.4436251711	 0.113698
+H	-2.0752747094	-0.4447226358	-1.0681429689	 0.110851
+H	-3.4822106279	-1.7781306586	 1.2244412404	 0.098231
+H	-1.7134680411	-1.858871047	 1.0216898524	 0.133075
+H	-3.4274483496	 0.266667378	 2.4926928496	 0.071651
+19
+0 3336	2.59502	1.8845026	1.5414791	0.9942	74.71	-0.23359	0.06006	0.29364999999999997	938.6845	0.158678	-422.488286	-422.481006	-422.480061	-422.519345	29.977
+O	 0.0716717214	 0.096171892	-0.2477208742	-0.43695
+C	-0.8966994719	 0.4992078848	 0.6882625343	 0.099226
+C	-2.2668851794	-0.2091251245	 0.7284420892	 0.012362
+O	-2.89133832	 0.5570257596	 1.8059867777	-0.296775
+C	-2.5677895754	 1.9581281378	 1.4826341139	-0.17229
+C	-1.8227443865	 1.6863639354	 0.1945673208	 0.251699
+C	-1.4880259248	 2.3133853474	-1.1660181819	-0.328113
+C	-2.0165841966	 0.9883604018	-1.8327722929	-0.260446
+C	-2.7337320986	 0.6106204067	-0.4876443664	-0.014133
+H	 0.4508012123	-0.7326682922	 0.0605198528	 0.289501
+H	-0.4505042536	 0.6507539524	 1.680019696	 0.070858
+H	-2.4375536696	-1.2687461932	 0.9292657522	 0.065757
+H	-3.4917499747	 2.530753391	 1.3509881713	 0.10454
+H	-1.9850412472	 2.3874508521	 2.3054154285	 0.099608
+H	-2.1222422995	 3.1732931048	-1.3998953364	 0.104418
+H	-0.4435385781	 2.5797374147	-1.34033207	 0.111442
+H	-2.7176893054	 1.1341668847	-2.6569163691	 0.094372
+H	-1.2216687174	 0.3179919668	-2.1463323921	 0.127858
+H	-3.8121756949	 0.7808735877	-0.5152633737	 0.077066
+19
+0 3337	2.2297185	1.6819746	1.1054937	3.6477	77.62	-0.23709	-0.02405	0.21304	1134.7321	0.155576	-422.550255	-422.541428	-422.540484	-422.583662	33.257
+C	-1.824302718	-0.040547867	-0.3847716576	-0.486476
+C	-1.6505500126	 0.1916469492	-1.8708816022	 0.302783
+O	-2.3416512003	 1.0157678961	-2.4651662066	-0.371826
+C	-0.6510332083	-0.6088430037	-2.5775000295	 0.179825
+C	 0.4706297816	-1.4934214196	-2.0260585855	-0.320372
+C	 1.4139822382	-0.9942741793	-3.1719749751	-0.230879
+C	 0.2810910113	-0.1416403263	-3.7509353593	-0.144702
+C	-0.9088022436	-0.9636958982	-4.0682814286	 0.122086
+O	-1.9947641817	-0.4064529578	-4.700363583	-0.438584
+H	-2.669574172	 0.5440334953	-0.0204399433	 0.145068
+H	-1.9845248998	-1.1035585597	-0.1744220397	 0.142681
+H	-0.9175631013	 0.2573873937	 0.1541450869	 0.143155
+H	 0.8202485419	-1.1921392912	-1.0359441724	 0.110087
+H	 0.2613097308	-2.568203097	-2.0054668629	 0.104357
+H	 2.2442255843	-0.3967670088	-2.791842247	 0.114819
+H	 1.8128696322	-1.7609807832	-3.843550155	 0.108019
+H	 0.3593823865	 0.8732496418	-4.123739447	 0.109552
+H	-0.7773970793	-2.0111433208	-4.3401054306	 0.103197
+H	-2.2954983699	 0.3428953266	-4.1476123416	 0.307212
+19
+0 3338	2.1327944	1.7346452	1.1113555	2.032	77.63	-0.23319	-0.01968	0.21351	1143.2582	0.154597	-422.534824	-422.525529	-422.524584	-422.569029	33.779
+C	 1.888300228	 1.6304516696	 0.2579774267	-0.430087
+C	 1.4099584541	 0.2003619875	 0.3618625153	-0.059176
+C	 1.451794653	-0.670021033	-0.8643285619	-0.174556
+C	 0.8641024077	-2.0378645451	-0.5437297524	-0.105018
+O	 1.7149619652	-2.1794750866	 0.6288791205	-0.32494
+C	 2.3939970938	-0.9573676047	 0.3031968681	 0.343393
+C	 3.8704501951	-0.8876227223	 0.4260608836	 0.281433
+C	 4.5198993571	-2.0450732937	 1.1544220555	-0.477822
+O	 4.5034071387	 0.0424047972	-0.0326524818	-0.319601
+H	 2.1799231714	 2.0148313536	 1.2402820382	 0.124709
+H	 2.7568462173	 1.7109448287	-0.3969522999	 0.153837
+H	 1.0864542077	 2.2686219665	-0.1290751032	 0.11676
+H	 0.5900101111	 0.0275101241	 1.0579043635	 0.095655
+H	 1.7091730136	-0.2878873481	-1.8432400906	 0.116829
+H	-0.2007216837	-2.080605779	-0.2878526659	 0.111194
+H	 1.1004667981	-2.8092847688	-1.2850229512	 0.114191
+H	 4.0917035694	-2.1528535323	 2.1570701997	 0.14759
+H	 4.3081194289	-2.9824949418	 0.6304605452	 0.149576
+H	 5.5953013233	-1.8768744517	 1.2169434408	 0.136034
+19
+0 3339	2.1751587	1.6428334	1.0795035	1.8568	77.07	-0.23892	-0.01919	0.21972999999999998	1159.9472	0.154653	-422.531738	-422.522442	-422.521498	-422.566052	33.736
+C	 2.0968236074	 0.1322242571	-1.5526619758	-0.428078
+C	 1.5160823896	 0.4829430841	-0.2018483968	-0.079777
+C	 2.2083797236	 1.4515527314	 0.6793094717	 0.059685
+O	 1.4009221572	 1.839563168	 1.7842592815	-0.281753
+C	 1.3587303367	 0.4692964782	 2.2692424367	-0.150351
+C	 2.1994592367	-0.0266131728	 1.0902897403	 0.14491
+C	 3.304609975	-1.0103184494	 1.1296357716	 0.288104
+C	 3.3125792076	-1.9604017002	 2.316820782	-0.491561
+O	 4.1650448379	-1.0652182314	 0.2726899852	-0.323151
+H	 1.7954332394	-0.8741132076	-1.8599260734	 0.124155
+H	 1.7295785368	 0.8385790784	-2.3046197446	 0.118904
+H	 3.1866484355	 0.1546197496	-1.5385533773	 0.155763
+H	 0.4279074349	 0.5016662963	-0.152685693	 0.096016
+H	 3.0388722286	 2.0864245925	 0.3902628207	 0.121765
+H	 1.8606213246	 0.3972809602	 3.2404285521	 0.112213
+H	 0.3328033391	 0.0912785886	 2.3550799021	 0.10935
+H	 3.5242255745	-1.4115042927	 3.2417127976	 0.143898
+H	 2.3357881777	-2.4400239767	 2.4446091645	 0.135788
+H	 4.0841921373	-2.7162856437	 2.167918845	 0.14412
+19
+0 3340	2.6048149	1.5178046	1.120706	0.5566	76.06	-0.23267	0.05876	0.29142999999999997	1127.2296	0.15598	-422.484378	-422.475826	-422.474881	-422.517893	31.808
+C	 2.8119185076	 1.6036995881	 0.0241406867	-0.423055
+C	 1.783096846	 0.5008483932	 0.1619052928	-0.076949
+C	 1.5677355957	-0.404034767	-1.0460075101	-0.202517
+C	 0.4227748826	-1.3619905808	-0.7609482408	-0.102065
+O	 1.0188785703	-1.7532396583	 0.5082607335	-0.330817
+C	 2.1782570471	-0.9460371179	 0.2337665223	 0.463348
+C	 3.4712363642	-1.5841444894	 0.5869751839	-0.039499
+C	 4.2157072605	-1.2205176449	 1.8039231159	-0.174726
+O	 4.6534355021	-0.7895632805	 0.5143353441	-0.227401
+H	 3.1695299901	 1.9374574888	 1.0035078767	 0.117914
+H	 3.6831465424	 1.2744715811	-0.5446711517	 0.139371
+H	 2.3702154647	 2.4687455192	-0.4828467916	 0.113672
+H	 0.8999949163	 0.7647427963	 0.7434345423	 0.085657
+H	 2.0217687217	-0.2003893969	-2.0068451692	 0.103452
+H	-0.5795916555	-0.9354659595	-0.633943786	 0.103894
+H	 0.3751868762	-2.2198805139	-1.4417950867	 0.108298
+H	 3.5838330532	-2.6002369957	 0.2065126012	 0.100407
+H	 3.8251053583	-0.4362236548	 2.4490833257	 0.120894
+H	 4.8495624663	-1.961920917	 2.287163101	 0.12012
+19
+0 3341	3.125786	1.2202727	1.0718875	2.5421	75.75	-0.23485	0.06768	0.30253	1191.0026	0.156133	-422.484374	-422.475843	-422.474899	-422.517775	31.672
+C	 2.0405088496	 1.212688884	-0.9859260114	-0.42479
+C	 1.3848447279	-0.0868166988	-0.5766673718	-0.102741
+C	 1.6070870411	-1.3891219479	-1.2835158946	 0.035525
+O	 2.9366935924	-1.4931638721	-1.7936200904	-0.282984
+C	 3.4759418251	-1.4456777055	-0.4446918686	-0.15889
+C	 2.087194432	-1.2270953646	 0.1524383472	 0.281029
+C	 1.6049961869	-1.8140716751	 1.4220309879	-0.051172
+C	 2.4788854024	-1.9911846664	 2.591994496	-0.185718
+O	 2.1141375655	-3.1069777453	 1.7784441677	-0.23526
+H	 2.2427683502	 1.852728808	-0.1207689498	 0.116211
+H	 2.9810134645	 1.0244194562	-1.5086202597	 0.139363
+H	 1.3901195118	 1.7682527266	-1.6694771962	 0.12123
+H	 0.3557468067	 0.0090999712	-0.2309584847	 0.089163
+H	 0.8430279541	-2.0123358952	-1.735131793	 0.107466
+H	 3.8956043731	-2.4175148371	-0.1664848886	 0.127035
+H	 4.2264491235	-0.6564703162	-0.3213972552	 0.102769
+H	 0.5362778336	-1.6949106194	 1.6072608584	 0.091164
+H	 3.5243137775	-1.6904755455	 2.530356712	 0.113312
+H	 2.0540622021	-1.9796816369	 3.5949745046	 0.117287
+19
+0 3342	2.8666894	1.4495777	1.1352223	2.7157	75.77	-0.23038	0.06839	0.29877	1114.4368	0.157116	-422.496937	-422.488796	-422.487852	-422.529642	31.445
+O	 1.0819942237	-2.8519368769	-1.0238754943	-0.457301
+C	-0.273078117	-2.5745920607	-1.1904270718	 0.085741
+C	-1.1723426143	-2.54754516	 0.0206406921	-0.155816
+C	-2.6366675745	-2.4329371427	-0.4079946441	-0.229837
+C	-2.2930769218	-1.12065798	-1.1884583222	-0.304442
+C	-0.8264394459	-1.2439019163	-0.7471838398	 0.303967
+C	 0.0061229267	-0.0829188015	-0.3446946422	-0.062594
+C	 1.1873801288	 0.3608971565	-1.1054360724	-0.184023
+O	 1.3415422409	-0.3582672934	 0.1286417723	-0.249708
+H	 1.4532940608	-2.1750493638	-0.4359800106	 0.298697
+H	-0.6412390189	-3.0239165667	-2.1133702503	 0.088919
+H	-0.7967721821	-2.8894729666	 0.9783895459	 0.093992
+H	-3.0241051319	-3.2679948432	-1.0015448674	 0.100573
+H	-3.3219988207	-2.2515212188	 0.4224914994	 0.107561
+H	-2.467181609	-1.124663272	-2.269702379	 0.099702
+H	-2.7891351709	-0.2441330508	-0.7622986037	 0.10584
+H	-0.5081774239	 0.6697724935	 0.2561561735	 0.098469
+H	 1.4796322367	-0.194066022	-1.9936235284	 0.135332
+H	 1.5018971335	 1.4018443253	-1.066358237	 0.124928
+19
+0 3343	2.4735596	1.5084339	1.1050417	2.2944	76.54	-0.22314	0.0653	0.28844000000000003	1144.7742	0.156329	-422.490635	-422.482175	-422.481231	-422.523725	32.288
+O	 2.2198408361	 0.3667858869	 2.5003003236	-0.429031
+C	 1.2132705362	 1.2961875155	 2.7691951124	 0.023228
+C	 1.5787860179	 2.757204268	 2.5354287914	-0.251636
+C	 0.3486384132	 3.6078763613	 2.7913802553	-0.10096
+O	-0.460548926	 2.7735155959	 1.9128706628	-0.328307
+C	 0.6908662143	 1.9968693817	 1.5530987704	 0.466915
+C	 0.8247574667	 1.5405620385	 0.1548559087	-0.103709
+C	-0.4257305412	 1.2620047599	-0.6484995211	-0.266618
+C	 0.4377195711	 2.4504311326	-0.984674209	-0.273669
+H	 2.8996756909	 0.4523006866	 3.1771687476	 0.291063
+H	 0.5162432906	 1.0301350379	 3.567944823	 0.086692
+H	 2.6049607931	 3.0890044872	 2.4452245684	 0.09986
+H	-0.0527430239	 3.6342130989	 3.8120412673	 0.103089
+H	 0.4191511399	 4.627716432	 2.3965790793	 0.111528
+H	 1.6658084105	 0.8731281175	 0.006025067	 0.103505
+H	-0.41909258	 0.4051426887	-1.3126362052	 0.11062
+H	-1.3780747764	 1.4599356835	-0.1705426621	 0.13133
+H	 1.0386923383	 2.4212010457	-1.8867471033	 0.107354
+H	 0.0496197888	 3.4292764517	-0.7264152669	 0.118746
+19
+0 3344	3.1872075	1.248368	1.0825223	1.8902	74.37	-0.23089	0.05855	0.28944000000000003	1169.6492	0.15685	-422.491114	-422.482798	-422.481854	-422.524238	31.797
+O	 0.0878258992	 1.7328619046	 3.8992621491	-0.439339
+C	-0.2819732549	 1.6893128556	 2.5580798682	 0.074603
+C	-0.6178007623	 2.9350504491	 1.8097911704	-0.032617
+O	 0.1628652769	 4.009357549	 2.3533663637	-0.309271
+C	 1.3922300409	 3.3599244772	 1.9064258752	-0.14765
+C	 0.6253271467	 2.1337733349	 1.4143305311	 0.22477
+C	 0.9582903799	 1.3088881345	 0.2266330738	-0.121237
+C	 0.8901313957	 1.8940634013	-1.1663162325	-0.265949
+C	-0.1206064258	 0.8643491548	-0.7333788179	-0.267778
+H	 0.1114885706	 2.6704322794	 4.1362463549	 0.295842
+H	-0.8817476056	 0.8151603907	 2.3201754629	 0.108468
+H	-1.5485870655	 3.1901176874	 1.3134725805	 0.103938
+H	 1.852613561	 3.9409176079	 1.10097323	 0.115252
+H	 2.1042775223	 3.2133122668	 2.7259303414	 0.112545
+H	 1.7555975562	 0.5880365933	 0.3944032224	 0.090686
+H	 0.5498521129	 2.919446937	-1.2647276382	 0.115592
+H	 1.6501808047	 1.603658013	-1.8827480091	 0.113955
+H	-1.1354268156	 1.2018239387	-0.5508495747	 0.112068
+H	-0.0540995874	-0.1350240153	-1.1480437111	 0.116121
+19
+0 3345	2.4350018	1.517864	1.1355541	1.8218	76.22	-0.25722	0.00592	0.26314	1134.3696	0.156042	-422.552299	-422.54346	-422.542516	-422.586171	32.38
+C	 1.1700457506	 3.1746409384	 0.9874518243	-0.432601
+C	-0.2013198772	 3.1251748408	 0.3491486584	-0.047905
+C	-1.4098032721	 3.1813160354	 1.2692730701	-0.162998
+C	-2.6966810518	 3.2645183488	 0.4361383308	-0.234585
+C	-2.3145805356	 1.9162128786	-0.2697494776	-0.296731
+C	-1.0329239083	 1.8967342312	 0.5557498078	 0.48053
+O	-0.5012657309	 0.731452416	 1.1446394106	-0.253452
+C	 0.1026336878	-0.1276402536	 0.3002523468	 0.150757
+O	 0.2179793315	 0.0077101588	-0.8846882083	-0.297044
+H	 1.1773687494	 2.6719537605	 1.9588462694	 0.123254
+H	 1.9141915537	 2.6830063892	 0.3519945542	 0.130089
+H	 1.4894275407	 4.210333705	 1.1410118904	 0.120004
+H	-0.2694355899	 3.6242814053	-0.6178574868	 0.081674
+H	-1.3030854345	 3.448951018	 2.3135505146	 0.094904
+H	-3.6083335366	 3.1793306463	 1.0305727064	 0.108269
+H	-2.7780273557	 4.1419485963	-0.2126568574	 0.102439
+H	-2.9955615328	 1.1077290674	 0.0053355931	 0.111246
+H	-2.1843173669	 1.9226751014	-1.354709539	 0.113551
+H	 0.4690055688	-0.9869341738	 0.8830429723	 0.108601
+19
+0 3346	2.5624153	1.2503487	0.9425235	3.1995	76.49	-0.23486	-0.02273	0.21213	1267.4746	0.154633	-422.522633	-422.513379	-422.512435	-422.557785	33.077
+C	-3.4302445567	 0.7932487595	 0.5546241148	-0.430268
+C	-2.5226972402	 1.9604414743	 0.2302054366	-0.060959
+C	-2.1816879302	 2.9145553787	 1.3671060813	-0.212104
+C	-1.3170201642	 4.0431171657	 0.8254569035	-0.098484
+O	-0.4029937847	 3.095960055	 0.2050160173	-0.328211
+C	-1.1264907247	 1.9954394197	 0.7837707488	 0.454147
+C	-0.3009459741	 0.8502540508	 1.2973373085	-0.390477
+C	 0.3971442439	 0.1173061866	 0.1625618248	 0.159577
+O	 0.3870658145	-1.078355756	 0.0221438125	-0.239926
+H	-3.2806570754	 0.4367575459	 1.5788546582	 0.119331
+H	-4.4818772916	 1.0838635995	 0.4613628479	 0.125073
+H	-3.2515832812	-0.050178595	-0.12012587	 0.134261
+H	-2.6550702856	 2.388372115	-0.7627848053	 0.089351
+H	-2.6903021321	 2.8904579867	 2.3221447109	 0.100981
+H	-1.7693781484	 4.7236402815	 0.0942788131	 0.10751
+H	-0.7996550838	 4.6218935127	 1.5990409942	 0.110508
+H	 0.4749826267	 1.2460722476	 1.9676238528	 0.13008
+H	-0.9069698364	 0.1322033724	 1.8541936724	 0.129092
+H	 0.9365707342	 0.7795299794	-0.5487763724	 0.100518
+19
+0 3347	2.9502848	1.0508346	0.9371701	2.2169	76.36	-0.23644	-0.02769	0.20875000000000002	1308.4601	0.154883	-422.519406	-422.510243	-422.509299	-422.554218	32.843
+C	-0.6364790012	 4.1712640981	-0.6764655629	-0.424156
+C	-0.4968723186	 3.3292173507	 0.5719561576	-0.078721
+C	-1.5972162826	 3.1484029128	 1.5751492702	 0.02258
+O	-2.880285034	 3.144717704	 0.9462972711	-0.280778
+C	-2.5330133281	 1.9402224166	 0.2138643371	-0.135795
+C	-1.1127457226	 1.9475889238	 0.7822516606	 0.238737
+C	-0.3357601337	 0.7174045916	 1.1719481942	-0.395733
+C	 0.2848741907	 0.0425349793	-0.038788484	 0.165248
+O	 0.1401676485	-1.1161382086	-0.3286267545	-0.235086
+H	-0.0487557621	 3.7636131033	-1.5057253539	 0.116893
+H	-1.6812786202	 4.2353239396	-0.9887779293	 0.140701
+H	-0.2876608256	 5.1918818892	-0.4882464409	 0.122407
+H	 0.4786373308	 3.3882445412	 1.0539343424	 0.088164
+H	-1.553449691	 3.4017744224	 2.6290169765	 0.105887
+H	-3.1295271392	 1.0924388505	 0.5705672072	 0.115454
+H	-2.6629351382	 2.052305618	-0.8686731934	 0.110117
+H	 0.4858975354	 1.0058972015	 1.8426075734	 0.122876
+H	-0.9588643465	-0.0150306455	 1.695742692	 0.123595
+H	 0.900258288	 0.7229806114	-0.6721579434	 0.077611
+19
+0 3348	2.8484427	1.3511305	1.0746091	3.0191	76.16	-0.23539	-0.04041	0.19498	1157.6634	0.155954	-422.534849	-422.526131	-422.525186	-422.568389	32.454
+O	 1.0101204028	 3.1074327691	-1.0845065623	-0.44934
+C	-0.2618391285	 3.1713570151	-0.5223336727	 0.077055
+C	-1.3866159059	 3.2629702741	-1.5081617409	-0.140612
+C	-2.7069064939	 3.4820741247	-0.7644055391	-0.230546
+C	-2.459502532	 2.1628703546	 0.0425166421	-0.301098
+C	-1.1431190186	 1.9604410723	-0.7199011171	 0.330321
+C	-0.5756884266	 0.6379330203	-1.177729065	-0.418021
+C	 0.4114878637	 0.012739926	-0.2072949473	 0.155025
+O	 1.2956234833	 0.6253073605	 0.3458392563	-0.247789
+H	 1.4888201554	 2.4392125344	-0.5694421317	 0.295188
+H	-0.328255541	 3.7303147355	 0.4168055885	 0.071658
+H	-1.1814586706	 3.4771965619	-2.5502710466	 0.093049
+H	-2.7758194343	 4.4057478533	-0.1801904176	 0.100879
+H	-3.5838288607	 3.4127550685	-1.4110778678	 0.106419
+H	-2.3754072974	 2.2583259082	 1.1309595505	 0.098103
+H	-3.2063178187	 1.3960239918	-0.1811661119	 0.101072
+H	-1.3726465436	-0.0797194205	-1.4021015654	 0.108864
+H	-0.0120694051	 0.7868117159	-2.1090907298	 0.154709
+H	 0.3097345517	-1.0812766659	-0.0392613922	 0.095065
+19
+0 3349	2.1142406	1.9162675	1.4776384	2.4173	73.89	-0.23918	-0.01676	0.22242	990.6423	0.158454	-422.592381	-422.58467	-422.583726	-422.624309	30.262
+C	-1.7603966009	-0.3240086752	 2.3376351634	-0.436983
+C	-2.0780208717	-0.6641919674	 0.8838837191	 0.008987
+C	-2.2937377401	 0.5054017308	-0.1052562558	 0.090071
+C	-0.9176785633	 1.1899514331	-0.1671943982	-0.341742
+C	 0.019026588	-0.0334180263	-0.0702683127	 0.422693
+O	 1.2208719736	-0.0332302842	-0.0807798538	-0.329836
+C	-0.9182478736	-1.2430712344	 0.0325660323	-0.159401
+C	-1.62843165	-1.3172933057	-1.3404852325	-0.100236
+O	-2.4994694012	-0.1711892572	-1.3554318975	-0.279474
+H	-1.5958689507	-1.2383083699	 2.9164074193	 0.127252
+H	-0.8617846288	 0.2911810924	 2.4428477941	 0.130545
+H	-2.5922848169	 0.215665927	 2.8021107676	 0.122688
+H	-2.9491107408	-1.3264986618	 0.8439609708	 0.086016
+H	-3.1467420893	 1.1597002062	 0.0757319745	 0.081956
+H	-0.7620135506	 1.7327863098	-1.1027520817	 0.137446
+H	-0.7312577642	 1.8807657592	 0.6611514769	 0.128725
+H	-0.4335566602	-2.1641810573	 0.3521458546	 0.086233
+H	-0.9357614405	-1.2719218724	-2.1887449475	 0.116292
+H	-2.2235617686	-2.2350700867	-1.4268617928	 0.108769
+19
+0 3350	2.1099046	1.9818385	1.4987501	4.3995	73.76	-0.25733	0.01756	0.27489	986.1883	0.15965	-422.622424	-422.614899	-422.613955	-422.654119	29.65
+C	-1.4245969153	-0.4620145036	-2.4584527121	-0.433661
+C	-1.9283572653	-0.7133720036	-1.0406555412	 0.012944
+C	-2.1996205289	 0.5378371242	-0.1800742208	 0.095608
+C	-2.6619200598	-0.0492107916	 1.1639934976	-0.225898
+C	-1.7509170407	-1.3129760588	 1.285051614	-0.237357
+C	-0.8960200446	-1.2419157449	-0.0167093067	-0.163346
+C	-0.0218936863	-0.0028262477	 0.1503391185	 0.442046
+O	 1.1475897374	 0.1055020215	 0.3738331553	-0.354017
+O	-0.8644726126	 1.0739643461	 0.0358165005	-0.245371
+H	-1.1257457785	-1.4005643437	-2.9356154336	 0.122833
+H	-2.2094295624	-0.0113698935	-3.0745051648	 0.119774
+H	-0.5623181671	 0.210710595	-2.4707366117	 0.144564
+H	-2.8151434659	-1.356325816	-1.066048313	 0.078848
+H	-2.8117591122	 1.3311984318	-0.6071990224	 0.087452
+H	-2.5058134081	 0.6678635089	 1.9722718169	 0.121937
+H	-3.7243052571	-0.3063683047	 1.1378297232	 0.107433
+H	-1.131544456	-1.3082011072	 2.1843603003	 0.125597
+H	-2.3381955033	-2.2348428446	 1.2912952881	 0.110262
+H	-0.328695113	-2.1383091577	-0.258089368	 0.090351
+19
+0 3351	2.8024651	1.4924707	1.433281	3.6623	74.46	-0.22719	-0.01862	0.20857	1019.7833	0.15846	-422.589895	-422.582156	-422.581212	-422.621862	30.236
+C	-3.1188456801	-1.7419302358	-1.3862101764	-0.432883
+C	-1.9958291798	-0.7641771535	-1.0544016575	 0.005341
+C	-2.3650301595	 0.4816504009	-0.1940724804	-0.063971
+C	-2.6718342913	-0.1910586278	 1.1510729514	-0.078736
+O	-1.712746638	-1.2657402981	 1.2226911146	-0.281567
+C	-0.9721528286	-1.2507539183	-0.0167162541	-0.010677
+C	-0.0415944688	-0.031012606	 0.0982846077	 0.440067
+O	 1.1459547153	-0.0098451847	 0.2735222266	-0.325535
+C	-0.994255969	 1.1762232303	-0.0457525632	-0.345202
+H	-3.5457364239	-2.1886188262	-0.4849874277	 0.138364
+H	-3.923364395	-1.2410430206	-1.935144218	 0.117312
+H	-2.7462285769	-2.5572437779	-2.014097089	 0.123268
+H	-1.4913849893	-0.4483269919	-1.9755280847	 0.082329
+H	-3.1681951409	 1.1107938232	-0.5796667699	 0.07543
+H	-2.5276377894	 0.4827934285	 2.003441354	 0.10658
+H	-3.6871462246	-0.6018433055	 1.2032071283	 0.102711
+H	-0.4811254843	-2.2129749901	-0.1505980985	 0.089275
+H	-0.9164686285	 1.8491113957	 0.8131766395	 0.129022
+H	-0.7184596873	 1.7455047676	-0.9402101928	 0.128872
+19
+0 3352	2.7318036	1.4751159	1.4260625	2.8542	73.55	-0.23446	-0.01581	0.21865	1013.7272	0.159049	-422.60397	-422.596237	-422.595292	-422.635892	30.606
+O	-3.136430012	-1.4634814682	 1.4180485058	-0.452253
+C	-2.0570470653	-0.6285564804	 1.0727698606	 0.152631
+C	-2.3722299173	 0.5609802996	 0.1285131091	-0.053937
+C	-2.7182600404	-0.1636884515	-1.1945222931	-0.23428
+C	-1.7478500934	-1.3910111199	-1.1947315368	-0.249464
+C	-0.9710446239	-1.2444084117	 0.1487759431	-0.14963
+C	-0.0515093627	-0.0422697904	-0.0419637578	 0.420884
+O	 1.1425716837	-0.0421964864	-0.1881932256	-0.329851
+C	-0.9744509299	 1.1931881718	-0.0151268893	-0.335849
+H	-3.5362844759	-1.8112895239	 0.6147910889	 0.284888
+H	-1.6401660489	-0.2924421366	 2.0274124918	 0.091906
+H	-3.14563933	 1.2418779622	 0.4863050272	 0.073765
+H	-3.7661794927	-0.4800702437	-1.2106669573	 0.099479
+H	-2.573574345	 0.4830876838	-2.0636061893	 0.108967
+H	-2.2898906139	-2.3417666303	-1.2109969244	 0.106112
+H	-1.0741398481	-1.4017378555	-2.0544348589	 0.123804
+H	-0.4607342631	-2.143607148	 0.4897107091	 0.085004
+H	-0.7072351847	 1.8127030867	 0.8490983413	 0.130953
+H	-0.8416834765	 1.8078409924	-0.9103280044	 0.126873
+19
+0 3353	2.2075503	1.8334715	1.4242588	1.869	75.84	-0.23155	0.004	0.23555	1014.1933	0.158354	-422.564974	-422.557143	-422.556198	-422.596814	31.097
+C	 1.2234253563	 0.775210083	 0.0896587535	-0.518237
+C	-0.1173526441	 0.1376623291	-0.0569422247	 0.33187
+C	-1.3339671198	 0.7011497512	-0.1524587636	-0.217356
+C	-2.3713909309	-0.4093277957	-0.1067338034	-0.132562
+C	-2.2714893054	-1.0274835196	 1.3135208838	-0.07401
+O	-0.9612631946	-1.6214530631	 1.3399990217	-0.277175
+C	-0.3771072101	-1.3640090383	 0.0371819736	-0.025915
+C	-1.6058274313	-1.5230598287	-0.8873342297	 0.156004
+O	-1.4155944418	-1.310318812	-2.2584999032	-0.449336
+H	 1.6671718636	 0.5201646809	 1.0601931085	 0.142187
+H	 1.9239956526	 0.4207860694	-0.6765058429	 0.12893
+H	 1.1629446387	 1.8651295923	 0.0207666863	 0.12519
+H	-1.5601338801	 1.7610705244	-0.1343630431	 0.096124
+H	-3.3808751984	-0.1705965977	-0.4390894056	 0.073577
+H	-2.3604908832	-0.2803320195	 2.1105295194	 0.099132
+H	-3.0269611014	-1.8073750142	 1.4720473986	 0.101859
+H	 0.4679771064	-2.0378974641	-0.0984158717	 0.073498
+H	-2.0605517179	-2.5115761099	-0.7848925276	 0.093139
+H	-1.0519715487	-0.4204630177	-2.3537326498	 0.27308
+19
+0 3354	2.213789	1.8261495	1.4162856	2.2214	75.55	-0.23129	0.00299	0.23428	1014.1957	0.158342	-422.56524	-422.557423	-422.556479	-422.597062	31.091
+C	 1.2355689789	 0.8921357287	-0.0418079871	-0.515267
+C	-0.0921851536	 0.2098348689	-0.0564362014	 0.325018
+C	-0.396629073	-1.069154684	 0.226267363	-0.221273
+C	-1.9114803378	-1.1719209077	 0.2020408626	 0.037713
+O	-2.4313048613	-0.442079221	 1.3454153893	-0.277012
+C	-2.1309994471	 0.941316515	 1.0993656001	-0.077929
+C	-1.4172456688	 0.9338168798	-0.2794451037	-0.184758
+C	-2.2501216632	-0.2003150923	-0.9536670251	 0.152654
+O	-1.8691948924	-0.5779565753	-2.2470845346	-0.448094
+H	 1.2683993032	 1.6744318814	 0.7272515551	 0.134637
+H	 2.0479704559	 0.1881124004	 0.157885975	 0.128954
+H	 1.4369026766	 1.3904926062	-0.998194595	 0.131029
+H	 0.2874405687	-1.8479965308	 0.540037099	 0.098949
+H	-2.3624854873	-2.1623615993	 0.1955835799	 0.077271
+H	-3.0649669997	 1.5162406237	 1.0655907642	 0.102411
+H	-1.5024399189	 1.3396571087	 1.9051484401	 0.098179
+H	-1.3770525047	 1.8978362272	-0.7866996989	 0.071156
+H	-3.3191585978	 0.0230922368	-0.9965729228	 0.09351
+H	-0.9361955678	-0.8240841764	-2.2010735698	 0.272852
+19
+0 3355	2.4545338	1.9817402	1.6163257	1.1947	72.75	-0.24507	0.0784	0.32347000000000004	926.4422	0.159268	-422.539444	-422.532314	-422.531369	-422.570547	28.942
+C	 1.3919110734	 1.300862092	 0.0143795654	-0.447068
+C	 1.2802710312	-0.2228861293	 0.0064449364	 0.044829
+C	 1.9886367458	-1.0715802295	 1.099788466	-0.126562
+C	 1.4752767977	-2.467337253	 0.6611721819	-0.080423
+O	 1.4544066443	-2.3995250959	-0.7843379801	-0.283424
+C	 1.9048925511	-1.0677760866	-1.1252284577	 0.03336
+C	 3.4053449023	-1.1028801459	-0.8140083667	 0.043542
+O	 3.9391367992	 0.0171705156	-0.0955668763	-0.257557
+C	 3.4547014877	-1.1017990376	 0.6538130305	 0.05502
+H	 0.8876435055	 1.7023712844	 0.9005895834	 0.110166
+H	 2.4201632785	 1.6530103598	 0.0109164286	 0.153465
+H	 0.8781217894	 1.7143907432	-0.8610292407	 0.111065
+H	 0.2139196771	-0.4746087184	 0.0183310064	 0.08503
+H	 1.7889904408	-0.81582914	 2.140704199	 0.071717
+H	 2.1304535054	-3.2874928191	 0.9785087066	 0.100604
+H	 0.4623513966	-2.6666161905	 1.0307748902	 0.103213
+H	 1.6024256095	-0.8556855724	-2.1504717236	 0.074628
+H	 4.0974307751	-1.6503847827	-1.445511869	 0.106037
+H	 4.1998182694	-1.6463517741	 1.2269171695	 0.102356
+19
+0 3356	2.7679777	1.7391351	1.5929257	1.4033	72.32	-0.25115	0.07155	0.3227	930.5311	0.15998	-422.55973	-422.552683	-422.551739	-422.590624	29.162
+O	 0.271702005	-0.071511475	 0.6100470101	-0.454112
+C	-0.9046043954	 0.6693548556	 0.8801181013	 0.140611
+C	-0.6254647709	 2.1774284984	 0.7350083534	-0.085632
+C	 0.439239334	 2.3976008634	 1.8475979182	-0.20664
+C	-0.0129891318	 1.4104784897	 2.9766541025	-0.199261
+C	-1.2880014321	 0.750366696	 2.382098317	-0.121787
+C	-2.3368161775	 1.8606044791	 2.3661958614	 0.049174
+O	-3.1022854414	 1.9935906656	 1.1577071637	-0.266118
+C	-1.9099716099	 2.7803581626	 1.3020014837	 0.045707
+H	 0.0552437675	-1.0058753616	 0.6818956126	 0.283316
+H	-1.7353209174	 0.3370784878	 0.2545243055	 0.087121
+H	-0.3295663393	 2.5113703645	-0.2600734094	 0.069348
+H	 1.4343318734	 2.1437058615	 1.479485046	 0.115779
+H	 0.4609581137	 3.4383204935	 2.1842332986	 0.091707
+H	 0.7541424219	 0.6573776115	 3.1649740198	 0.10526
+H	-0.2226632693	 1.9189664271	 3.9222713767	 0.092368
+H	-1.5872846817	-0.1871244972	 2.8560014232	 0.05609
+H	-2.8352895745	 2.1808059132	 3.2769310651	 0.098439
+H	-2.0557681142	 3.8560992541	 1.3397385404	 0.098628
+19
+0 3357	2.8936753	1.7280157	1.5815768	1.7034	72.64	-0.24696	0.08564	0.3326	931.7151	0.160581	-422.551942	-422.545157	-422.544213	-422.582544	28.764
+O	 0.5444508303	 0.1987891082	 0.648722944	-0.467601
+C	-0.4365368002	 1.0456597561	 1.1969877193	 0.15088
+C	-1.0011997438	 0.6106801441	 2.5779650164	-0.096466
+C	-1.6395454095	-0.7320193267	 2.1527241412	-0.090111
+O	-2.0868243331	-0.4947744049	 0.7909498474	-0.30447
+C	-1.8137944308	 0.9055776842	 0.5232682151	 0.045504
+C	-2.7599440742	 1.731102781	 1.3795560329	-0.036765
+C	-2.2262164948	 2.9176638514	 2.1467553522	-0.331811
+C	-2.1891843599	 1.5526955323	 2.7848937954	-0.024764
+H	 0.0783012582	-0.5750758317	 0.3073809408	 0.291442
+H	-0.0166390163	 2.0498978975	 1.1936292345	 0.085676
+H	-0.2771495578	 0.5348840333	 3.3896973783	 0.073895
+H	-0.9206172362	-1.558782798	 2.1488899909	 0.101146
+H	-2.4932913123	-1.0103221603	 2.7798294439	 0.102591
+H	-1.8540438358	 1.0473289308	-0.5571912107	 0.079204
+H	-3.8216789814	 1.6565417409	 1.1760126344	 0.095938
+H	-1.3258249886	 3.434691127	 1.8380422663	 0.119837
+H	-2.9845918578	 3.5855163471	 2.5417642097	 0.114835
+H	-2.8406361459	 1.3628560076	 3.6314348977	 0.091039
+19
+0 3358	3.1410353	1.4897544	1.2883998	1.1164	75.08	-0.23424	0.07722	0.31146	1047.4335	0.157425	-422.507501	-422.49972	-422.498775	-422.539392	30.524
+C	 2.4512941338	-0.0203784647	-1.666584179	-0.445076
+C	 1.8231327066	 0.3557490974	-0.3361082729	 0.02589
+C	 2.4340058044	 1.4848104094	 0.5805663043	-0.196304
+C	 3.8491161678	 0.9420071693	 0.8161176357	-0.087012
+O	 3.5589081246	-0.4643420535	 1.0349358259	-0.280041
+C	 2.1243826933	-0.4951081138	 0.934092753	-0.017762
+C	 1.7124877247	 0.750135976	 1.728429275	 0.525449
+C	 1.4484455919	 1.0316410537	 3.1301074258	-0.309197
+O	 0.3948660584	 1.033111764	 2.1355310293	-0.302992
+H	 1.8914645144	-0.8360525399	-2.1361851636	 0.119857
+H	 2.4438575992	 0.8265216646	-2.3613017688	 0.116717
+H	 3.4832132684	-0.3579412065	-1.5437265641	 0.134959
+H	 0.746602721	 0.520064131	-0.4301619181	 0.098304
+H	 2.3063627013	 2.5478072209	 0.3829146307	 0.080526
+H	 4.5210271371	 1.0581938846	-0.0411152598	 0.103571
+H	 4.3299630824	 1.366016715	 1.7051539828	 0.104172
+H	 1.7511968632	-1.501319409	 1.1146827418	 0.086277
+H	 1.401013547	 0.2173527308	 3.8510241533	 0.123746
+H	 1.6861993904	 2.0095651705	 3.5461193389	 0.118917
+19
+0 3359	3.1496907	1.4730297	1.2991803	0.1938	74.17	-0.2479	0.05807	0.30597	1030.7306	0.15824	-422.528947	-422.521214	-422.52027	-422.560712	30.716
+O	 0.4703639612	 0.0165830323	-0.1036415591	-0.45045
+C	-0.5626889724	 0.8380952393	 0.3599894779	 0.174442
+C	-1.8202333788	 1.1379701391	-0.5243082985	-0.182216
+C	-1.188449037	 1.7624436164	-1.7877445002	-0.239499
+C	-0.1321104526	 2.7099483516	-1.1129346945	-0.239506
+C	-0.4160697452	 2.3974728218	 0.3727025469	-0.182216
+C	-1.9485865868	 2.3788604098	 0.3660347814	 0.547279
+C	-2.9256456647	 2.7452756591	 1.3810255619	-0.310169
+O	-2.7985289034	 3.4831309045	 0.146010626	-0.301502
+H	 0.7505168691	 0.3227954017	-0.9718887071	 0.285918
+H	-0.8424535311	 0.4508829613	 1.3416169657	 0.093103
+H	-2.6275786734	 0.4184635392	-0.653145258	 0.069949
+H	-0.7387437156	 1.011033194	-2.4448912761	 0.093684
+H	-1.9240777934	 2.3160971228	-2.3747398684	 0.11966
+H	 0.899782549	 2.4807498389	-1.3981747319	 0.093681
+H	-0.3127479493	 3.761414484	-1.3453873158	 0.119661
+H	 0.1640802395	 2.922521126	 1.1302286231	 0.069949
+H	-3.8482390063	 2.1755758765	 1.4842604359	 0.119116
+H	-2.6120272488	 3.2844192715	 2.2739764509	 0.119116
+19
+0 3360	3.2305813	1.4818964	1.2987594	1.6978	74.91	-0.23993	0.07702	0.31695	1032.6059	0.158441	-422.519926	-422.512431	-422.511487	-422.551429	30.377
+O	 0.4897360798	-0.2178279239	 0.2507294935	-0.459056
+C	-0.6711895085	 0.3610350468	 0.7600517048	 0.189109
+C	-2.0845945827	 0.0094144153	 0.1454722718	-0.227629
+C	-1.8130449162	 0.335260984	-1.3269007868	-0.097335
+O	-1.0396964304	 1.5632585505	-1.1850589256	-0.30113
+C	-1.0715592232	 1.7676261141	 0.2480072094	-0.061875
+C	-2.4991515338	 1.4065681601	 0.6435190307	 0.45348
+C	-3.7731597789	 2.1683901187	 0.5149066993	-0.35883
+C	-3.2395036747	 1.7812628571	 1.8847987159	-0.360686
+H	 0.6434931067	 0.2001281219	-0.6074324709	 0.292445
+H	-0.6690168959	 0.2707828252	 1.8466121762	 0.096442
+H	-2.6294419172	-0.9025399703	 0.3842032239	 0.074727
+H	-1.2120059238	-0.4233571581	-1.8396753157	 0.102335
+H	-2.7209827706	 0.534130139	-1.9053373684	 0.107517
+H	-0.5621204463	 2.6964839637	 0.500003726	 0.081161
+H	-3.721819919	 3.2122067374	 0.2230666571	 0.120595
+H	-4.6509884087	 1.6456142624	 0.1479134706	 0.115043
+H	-2.8347104043	 2.5678734482	 2.5140467449	 0.117207
+H	-3.7598100922	 1.0004062678	 2.4305636933	 0.116482
+19
+0 3361	3.8296783	1.1495961	1.0801395	3.0435	75.96	-0.24024	-0.0292	0.21104	1175.5597	0.157316	-422.546507	-422.538318	-422.537374	-422.579439	30.882
+C	-0.1731722795	 0.0131535386	 0.015233965	-0.444631
+C	 1.3408062949	-0.0728191906	 0.1037539433	 0.034281
+C	 2.1983616398	-0.8297645985	-0.9747416751	-0.103775
+C	 1.563817276	-2.2206245693	-0.9141146733	-0.099229
+O	 1.4683770024	-2.3897791106	 0.521000721	-0.275485
+C	 2.0075129089	-1.1455068928	 1.0044114308	 0.066562
+C	 3.2983165503	-0.9505252913	 0.1541493876	-0.089479
+C	 4.3333908708	-2.0369994022	 0.125432762	 0.126521
+O	 5.5193997008	-1.8242005374	 0.0430775464	-0.260487
+H	-0.571697254	 0.5757670611	 0.8659080346	 0.121921
+H	-0.4877865297	 0.5311549575	-0.8973327435	 0.119488
+H	-0.6370204414	-0.9758504131	 0.0301606155	 0.137574
+H	 1.7795025479	 0.9106589774	 0.2898780863	 0.084319
+H	 2.4275596585	-0.4092065124	-1.9528509523	 0.084074
+H	 0.5684186875	-2.2621973655	-1.3684877157	 0.109043
+H	 2.1790547401	-3.0151989212	-1.3481570651	 0.109668
+H	 1.99124741	-1.1400463824	 2.0931959568	 0.088406
+H	 3.7878231784	 0.0091918859	 0.3243069581	 0.097658
+H	 3.9438105883	-3.0734420931	 0.2050697476	 0.093573
+19
+0 3362	2.8439678	1.4157491	1.2031487	2.1578	75.64	-0.24852	-0.02546	0.22305999999999998	1085.64	0.157815	-422.563685	-422.555477	-422.554533	-422.596528	31.15
+O	-1.7761095491	-2.0174570439	-0.4423986589	-0.44093
+C	-0.590193742	-1.2612561205	-0.4365845429	 0.144403
+C	 0.366776839	-1.5150046054	-1.626006081	-0.053776
+C	-0.5637138928	-1.3038790178	-2.8379570505	-0.222977
+C	-1.3096114781	-0.0099794776	-2.3636204355	-0.212861
+C	-0.6158971667	 0.1932034776	-1.0035384511	-0.093685
+C	 0.8942093586	-0.0667270203	-1.3914235256	-0.082702
+C	 1.8954566572	 0.1717139903	-0.2984503733	 0.116294
+O	 2.2318344684	-0.619316634	 0.5501500194	-0.250846
+H	-2.211446648	-1.9096164721	 0.4077803591	 0.286579
+H	-0.0670603566	-1.3295163453	 0.5185901926	 0.100285
+H	 1.0455237823	-2.3666525289	-1.6341889193	 0.07488
+H	-0.002838366	-1.1544327499	-3.7645976494	 0.09345
+H	-1.243949567	-2.1456311195	-2.977134911	 0.118701
+H	-1.1630273919	 0.8405034403	-3.0347013651	 0.093513
+H	-2.3817560765	-0.1760156827	-2.2411319543	 0.109806
+H	-0.9092957404	 1.0537294728	-0.4004291799	 0.064019
+H	 1.2168386201	 0.4843407139	-2.281924823	 0.080371
+H	 2.3396325295	 1.194543963	-0.3173117602	 0.075475
+19
+0 3363	2.1813353	1.9063419	1.7850482	1.6203	74.57	-0.24252	0.00752	0.25004000000000004	926.0629	0.16001	-422.5792	-422.571916	-422.570972	-422.610404	29.619
+O	 0.5793578757	 0.068738818	 0.7466333217	-0.44898
+C	-0.7637050853	 0.4613021822	 0.8818709547	 0.12052
+C	-1.3234486431	 0.4719548654	 2.3204927224	 0.076555
+C	-0.3773140639	 1.2448501655	 3.2555694926	-0.271242
+C	 0.1113268045	 2.5150991396	 2.5996947897	-0.059063
+C	-0.2114710162	 2.8358318666	 1.3424971962	-0.093779
+C	-1.0985429747	 1.92707015	 0.5147320366	-0.122481
+C	-2.5514718633	 1.9753526531	 1.0143315652	-0.068423
+O	-2.5700667657	 1.1621040885	 2.1985227025	-0.279092
+H	 1.1229270365	 0.7948369539	 1.0774092954	 0.281881
+H	-1.3472412757	-0.2270521401	 0.2627033967	 0.091862
+H	-1.5274558159	-0.5285215915	 2.711950279	 0.078501
+H	-0.9178814023	 1.4776243139	 4.1809921747	 0.121246
+H	 0.4727757742	 0.612152491	 3.5475626631	 0.110188
+H	 0.7450753607	 3.1736119299	 3.1887884507	 0.094009
+H	 0.1450993059	 3.7599336297	 0.8968330785	 0.092081
+H	-1.0166677684	 2.135052967	-0.553830392	 0.075927
+H	-2.8866097885	 2.9854717166	 1.2716036899	 0.104984
+H	-3.2412445345	 1.5591087908	 0.2658230224	 0.095306
+19
+0 3364	2.1829298	1.8975058	1.771044	1.7968	73.98	-0.23978	-0.00028	0.2395	928.4044	0.159997	-422.576291	-422.568952	-422.568008	-422.607604	29.682
+O	 0.3529173361	-0.030239604	 0.602966709	-0.447937
+C	-0.7569686325	 0.72831881	 0.1873530372	 0.128091
+C	-2.1456732992	 0.0521033043	 0.3134660006	-0.089011
+C	-3.0042547418	 1.0187080914	-0.5271392648	-0.078518
+O	-2.1079655627	 1.7001759142	-1.4274151043	-0.267802
+C	-0.8319372565	 1.0699901386	-1.3138810489	 0.033401
+C	-0.7756885497	-0.2211951311	-2.1171849212	-0.093698
+C	-1.3598923045	-1.3270464399	-1.6457808329	-0.06355
+C	-2.0747552321	-1.3538090106	-0.3136052871	-0.272705
+H	 0.4991425753	-0.7142021239	-0.0620388043	 0.280749
+H	-0.7301137007	 1.6553716952	 0.7672688517	 0.092719
+H	-2.4945999806	-0.0079132	 1.3468045267	 0.075443
+H	-3.7779468034	 0.4925966487	-1.1010287442	 0.097985
+H	-3.4971285702	 1.7765269461	 0.0927484436	 0.105105
+H	-0.0798414248	 1.7894525667	-1.6434723613	 0.079515
+H	-0.2815845844	-0.2170390027	-3.0840393149	 0.095848
+H	-1.337639677	-2.2513146615	-2.2188021461	 0.096323
+H	-3.0857501101	-1.7612932357	-0.4436321232	 0.111852
+H	-1.5631861011	-2.0466915558	 0.3687309244	 0.116191
+19
+0 3365	2.2892981	1.6742159	1.1793576	2.6121	75.62	-0.24533	-0.02582	0.21950999999999998	1098.0982	0.155646	-422.550399	-422.541393	-422.540449	-422.584015	33.448
+C	-1.1548779338	-2.3360855309	-1.0502613379	-0.490093
+C	-1.1948449592	-1.1336962338	-0.1348997529	 0.214798
+C	-1.7191581017	-1.3515897789	 1.3276769564	-0.287879
+C	-2.8882913481	-0.354662755	 1.0831343618	-0.223848
+C	-2.2152897169	 0.101231106	-0.2246201635	-0.103355
+C	-1.0250630779	 1.1006576139	-0.0038659435	 0.057022
+O	-0.8643163995	 2.1613761985	-0.9028413447	-0.445739
+C	-0.0993157837	-0.0943185386	-0.2860540259	 0.305513
+O	 0.9548598786	-0.1008921423	-0.8679399084	-0.328787
+H	-0.3894964906	-3.0458322156	-0.7171917979	 0.132751
+H	-2.1173791813	-2.8583411967	-1.0538411296	 0.118606
+H	-0.9134659473	-2.0476553215	-2.0775490535	 0.130215
+H	-2.0183256448	-2.3832198083	 1.5247870361	 0.114463
+H	-1.0147281883	-1.0497415409	 2.1068708499	 0.112696
+H	-3.8354844609	-0.8705837264	 0.9076415578	 0.109642
+H	-3.0519679575	 0.4199504029	 1.8381068257	 0.104842
+H	-2.7984267843	 0.3105117665	-1.1206410882	 0.089525
+H	-1.0010188842	 1.4692922982	 1.0311484205	 0.09348
+H	-0.0498871885	 1.9849521329	-1.3930541221	 0.296148
+19
+0 3366	2.269881	1.7012376	1.1696883	2.3375	76.13	-0.24175	-0.02153	0.22022	1104.9563	0.15578	-422.55516	-422.546224	-422.54528	-422.588717	33.349
+C	-1.077946112	 2.0136006679	 1.0545990637	-0.405105
+C	-1.0802324325	 0.8959887226	 0.0173003388	-0.102545
+C	-2.2158138224	-0.1767497858	 0.0722887298	-0.112857
+C	-2.7266406355	-0.6256000171	-1.3093844764	-0.226356
+C	-1.5258326197	-1.6046405858	-1.4513264147	-0.282897
+C	-1.0885191727	-1.3511279671	 0.0174853172	 0.329018
+O	-0.9770212558	-2.4938216496	 0.7857171266	-0.470055
+C	-0.0915819076	-0.2475133465	 0.3024729603	 0.302258
+O	 0.9210382827	-0.294703737	 0.9537543691	-0.332411
+H	-1.2083498572	 1.6132685829	 2.0648137741	 0.123448
+H	-0.126498394	 2.552643359	 1.0341714294	 0.135123
+H	-1.8840659371	 2.7281466364	 0.8628907586	 0.119705
+H	-0.9638775503	 1.3106490487	-0.9904429355	 0.094926
+H	-2.9084199796	-0.0715096985	 0.9068500037	 0.083283
+H	-3.6818709233	-1.1533132198	-1.2597144547	 0.110648
+H	-2.8078907855	 0.1648372759	-2.0607104256	 0.100496
+H	-1.8148073841	-2.6494286455	-1.5778227304	 0.128688
+H	-0.7797492274	-1.3571945972	-2.2103902589	 0.110677
+H	-0.3211148561	-2.3130902737	 1.4730264151	 0.293954
+19
+0 3367	2.2518054	1.6237432	1.2672268	3.4594	75.88	-0.22928	-0.03057	0.19871	1094.6392	0.155147	-422.545242	-422.536165	-422.535221	-422.579019	33.154
+C	-1.0348491681	 2.121962848	 1.0955971245	-0.410963
+C	-1.1029832104	 1.0851430798	-0.0270845574	-0.116401
+C	-2.2334925403	 0.0170090593	 0.0783467281	-0.151679
+C	-2.5890896721	-0.6433616675	-1.2571486846	-0.092437
+O	-1.4777116572	-1.567072253	-1.1568245439	-0.322079
+C	-1.1692475937	-1.1361906936	 0.1992728732	 0.322452
+C	-1.0887792257	-2.2636094275	 1.1879807667	-0.48496
+C	-0.0647570259	-0.0523307785	 0.1322273685	 0.379233
+O	 1.1259037761	-0.0717664717	 0.2458956935	-0.30304
+H	-1.099407116	 1.6481759551	 2.0811168535	 0.120466
+H	-0.0886326512	 2.668308831	 1.0504644571	 0.140088
+H	-1.8553663221	 2.8413496003	 1.012915996	 0.122449
+H	-1.0542711804	 1.5836245761	-1.001835374	 0.101768
+H	-3.0181667906	 0.1963792023	 0.8116194321	 0.084493
+H	-3.5448097198	-1.1819482797	-1.2675101353	 0.105585
+H	-2.52395104	-0.0103281739	-2.1502434909	 0.105952
+H	-0.2583644269	-2.9254956358	 0.9216590052	 0.148039
+H	-0.9075066817	-1.8836505012	 2.1984621104	 0.124792
+H	-2.0125637937	-2.8495588096	 1.1895979372	 0.126241
+19
+0 3368	2.1627886	1.6539282	1.2705662	1.8098	75.51	-0.24009	-0.027	0.21309	1093.7778	0.155154	-422.545297	-422.536159	-422.535215	-422.579256	33.116
+C	-1.076318233	 2.0754491047	 1.1281933865	-0.407454
+C	-1.0776379762	 1.0863297508	-0.0389629436	-0.131704
+C	-2.1730772704	-0.0164503739	-0.0236453856	 0.051374
+O	-2.5059263706	-0.4785035171	-1.3446579137	-0.287839
+C	-1.5551190388	-1.5599722865	-1.264154837	-0.1217
+C	-1.0999419958	-1.1488787066	 0.1625053417	 0.147627
+C	-1.0138992194	-2.2044644809	 1.240780389	-0.497461
+C	-0.0320601973	-0.0426542644	 0.1216738994	 0.356767
+O	 1.1542897303	-0.0481699998	 0.2885232756	-0.309424
+H	-1.1845887028	 1.5619813239	 2.0898693237	 0.119715
+H	-0.1338104402	 2.6291815659	 1.1537620687	 0.141515
+H	-1.8986685589	 2.7908039028	 1.0330754358	 0.126308
+H	-1.027032922	 1.6098562422	-0.998684566	 0.111793
+H	-3.0466577132	 0.132768975	 0.6157567604	 0.082308
+H	-2.0565830597	-2.5360057351	-1.2852878787	 0.109819
+H	-0.8025522046	-1.5261273741	-2.0605960012	 0.11553
+H	-0.1455198294	-2.8496682388	 1.0690475163	 0.140865
+H	-0.8968488149	-1.7570061607	 2.2327096372	 0.127444
+H	-1.9098974031	-2.8333876777	 1.2521322116	 0.124518
+19
+0 3369	2.4947769	1.8735982	1.2581823	1.6923	74.81	-0.24097	0.0557	0.29667	1029.4887	0.157333	-422.492546	-422.484785	-422.48384	-422.524596	30.075
+C	 0.7511684051	-1.2738759898	-0.4653444499	-0.409929
+C	 0.9019237219	-0.3597059588	 0.7424620408	-0.009595
+C	 1.3288481479	 1.1190105196	 0.4668577707	-0.151569
+C	 0.9431588026	 2.1940051376	 1.5150803937	-0.113114
+O	 2.2183717094	 2.052955707	 2.2135242373	-0.326743
+C	 2.5605094234	 0.9658101212	 1.3851295066	 0.420301
+C	 3.9175997083	 0.480571351	 0.9231401586	-0.168925
+O	 3.3774087592	-0.8686657711	 0.8363584956	-0.292235
+C	 2.1894652173	-0.5277112538	 1.6021897181	 0.023788
+H	 0.5364256098	-2.3019207718	-0.155163023	 0.117862
+H	-0.068286564	-0.9381342518	-1.1095687691	 0.111489
+H	 1.672588503	-1.2898563211	-1.0533736032	 0.133044
+H	 0.0062442652	-0.4115417546	 1.3734733518	 0.073261
+H	 1.3949070417	 1.455715868	-0.5683051399	 0.078304
+H	 0.8216380248	 3.2118393232	 1.131692608	 0.113558
+H	 0.0968299581	 1.94318197	 2.165561497	 0.106651
+H	 4.2992893267	 0.8430694971	-0.0377756472	 0.10806
+H	 4.705990416	 0.5486136357	 1.6854208381	 0.111122
+H	 2.1484510636	-1.0570591977	 2.558432766	 0.074669
+19
+0 3370	2.4442368	1.8970011	1.2558218	0.9877	74.94	-0.24346	0.05998	0.30344	1029.8632	0.157328	-422.490535	-422.482725	-422.481781	-422.522682	30.028
+C	-0.1518416542	 0.2192280507	-0.0363310798	-0.410974
+C	 1.3549029147	 0.0314373729	 0.0664592003	-0.021843
+C	 1.8733257444	-0.9916560461	 1.1201781221	 0.05891
+O	 0.9867616141	-2.1180791349	 1.350789688	-0.29388
+C	 1.8098855132	-3.0092578371	 0.5515033422	-0.186182
+C	 2.6015309114	-1.8246376437	 0.0335428105	 0.255657
+C	 3.9776677837	-1.502983466	-0.5185606062	-0.19178
+O	 3.4208902529	-0.4180884464	-1.3073206181	-0.297571
+C	 2.0589757721	-0.8289071894	-1.0219098895	 0.064677
+H	-0.5388611595	 0.7684863498	 0.8282018459	 0.119602
+H	-0.4112030498	 0.7836068431	-0.9380831755	 0.115477
+H	-0.6639643163	-0.7459810843	-0.0691970837	 0.130725
+H	 1.869115361	 0.9934152073	 0.1618710852	 0.08682
+H	 2.3233166197	-0.6311380386	 2.0507790627	 0.07271
+H	 2.3767501738	-3.702278724	 1.1890081407	 0.10467
+H	 1.2230458331	-3.5848922366	-0.1738283287	 0.10884
+H	 4.7413510257	-1.1590435067	 0.1889813147	 0.108418
+H	 4.4087271186	-2.2826152152	-1.1623349936	 0.104324
+H	 1.5085328114	-1.1074009547	-1.927155627	 0.071399
+19
+0 3371	2.3032015	1.9236711	1.2293851	2.9886	74.44	-0.23548	0.04894	0.28442	1035.9228	0.157444	-422.499939	-422.492039	-422.491095	-422.532235	30.659
+O	 0.4526693442	 0.4835202072	 0.0815125769	-0.422647
+C	-0.8082153112	 0.6049412467	 0.6863546568	 0.1131
+C	-1.0537802632	-0.0204538968	 2.0912681649	-0.115214
+C	 0.0823589018	 0.1570541955	 3.1508910165	-0.243129
+C	-0.7176360702	 1.3069451061	 3.8411997102	-0.328983
+C	-1.6351848315	 1.3378844526	 2.6236133899	 0.320784
+C	-3.0470303287	 1.83600078	 2.3466571418	-0.182617
+O	-2.6690057177	 2.2547011372	 1.0090350403	-0.28943
+C	-1.27122792	 1.9811481833	 1.2583211873	 0.006592
+H	 1.1282131289	 0.7303234693	 0.721350292	 0.281235
+H	-1.5352309609	 0.2569314935	-0.0523973688	 0.105465
+H	-1.5917755376	-0.9682716989	 2.1484089978	 0.068125
+H	 0.2724059787	-0.7218355516	 3.7687969898	 0.114646
+H	 1.0455637944	 0.476803028	 2.7388260805	 0.086512
+H	-1.2333434185	 0.9522434114	 4.7393926765	 0.108788
+H	-0.1812103632	 2.2266258101	 4.0936611933	 0.101816
+H	-3.8541147034	 1.0931694485	 2.3407271302	 0.103442
+H	-3.3546812229	 2.6962574665	 2.9578264459	 0.1013
+H	-0.6288372691	 2.8571864713	 1.1104139682	 0.070215
+19
+0 3372	2.4196465	1.8882983	1.2601093	0.8716	74.46	-0.23486	0.06122	0.29608	1023.5687	0.157548	-422.504561	-422.496744	-422.4958	-422.536784	30.615
+O	 0.6253853009	-0.1905651522	 0.644618807	-0.434412
+C	-0.6410292198	 0.4062784841	 0.8004111554	 0.12532
+C	-1.3388316858	 0.2573792798	 2.1819650133	-0.15361
+C	-2.8986396243	 0.3971609465	 2.1846075935	-0.236622
+C	-2.7892958006	 1.8552063026	 2.7440674898	-0.325963
+C	-1.3157763482	 1.8085684939	 2.3834875018	 0.486461
+O	-0.2625088651	 2.5271445122	 3.0094224674	-0.329524
+C	 0.4455014886	 2.6324239087	 1.7445197058	-0.11613
+C	-0.7044170983	 1.9631291107	 0.9624843831	-0.175378
+H	 1.1279814723	-0.0567806953	 1.4549523243	 0.284807
+H	-1.2382333304	 0.0425195592	-0.0413258865	 0.089072
+H	-0.9231847	-0.4600885381	 2.8926064991	 0.06904
+H	-3.3402710819	 0.3422914284	 1.1860612064	 0.105804
+H	-3.4204654551	-0.3094538108	 2.8309480174	 0.112013
+H	-3.4064518305	 2.6397850884	 2.2975392076	 0.100211
+H	-2.9264729241	 1.8719108321	 3.8299114695	 0.116158
+H	 0.633819474	 3.6790290988	 1.4846010035	 0.112867
+H	 1.402405148	 2.0958218265	 1.7546549404	 0.094731
+H	-1.1499785198	 2.5514959943	 0.1601273711	 0.075154
+19
+0 3373	2.4642857	1.6953523	1.1695439	3.247	75.28	-0.24138	0.05357	0.29495	1088.3033	0.156458	-422.49462	-422.486448	-422.485504	-422.527483	30.93
+C	 1.2592473135	-0.3367093035	-1.3196214217	-0.421417
+C	 1.3083340908	 0.2371748472	 0.0905432152	-0.085544
+C	 2.355323554	 1.3695911815	 0.3591705606	-0.093079
+C	 1.9265457464	 2.373747897	 1.4366696513	-0.083402
+O	 2.327874446	 1.4752407493	 2.4988937938	-0.287283
+C	 2.9278365746	 0.5553915795	 1.5629510446	-0.004822
+C	 2.017861962	-0.6041569791	 1.1730907088	 0.46164
+C	 2.3545391903	-2.0317987344	 1.1508561888	-0.266069
+O	 1.398558647	-1.4945635347	 2.0736832497	-0.262117
+H	 0.6077650835	-1.2158166671	-1.3653063891	 0.124602
+H	 0.8698389845	 0.4013882962	-2.0288902365	 0.119221
+H	 2.2551893952	-0.6384463595	-1.6619930902	 0.115361
+H	 0.303507707	 0.5338304083	 0.4106428477	 0.09104
+H	 2.9460822706	 1.7123661862	-0.4887217196	 0.079124
+H	 2.5155805831	 3.300029133	 1.459418005	 0.100382
+H	 0.8595658126	 2.6245162136	 1.4822211925	 0.104644
+H	 3.9812307792	 0.3614776379	 1.7852365696	 0.075584
+H	 1.9440792942	-2.6733405118	 0.3726166131	 0.115678
+H	 3.2892672256	-2.3751305594	 1.5930942765	 0.116457
+19
+0 3374	2.4255174	1.72221	1.1814021	2.5382	74.82	-0.24408	0.05989	0.30396999999999996	1080.3147	0.156386	-422.497848	-422.489645	-422.488701	-422.530713	31.027
+C	 1.3690527729	-0.2836974605	-1.3468943408	-0.415391
+C	 1.3117882119	 0.2422733987	 0.0826948705	-0.088228
+C	 2.2989479526	 1.3932115402	 0.4370953046	 0.104706
+O	 1.7835411601	 2.2803587308	 1.4454415851	-0.29181
+C	 2.4359095324	 1.5359604004	 2.5040495502	-0.085905
+C	 3.0033741144	 0.5066351521	 1.5094649057	-0.192988
+C	 2.025662831	-0.6131963661	 1.1546034673	 0.440343
+C	 2.2433154735	-2.0606222391	 1.1967596793	-0.270919
+O	 1.3653378578	-1.407958442	 2.1245921964	-0.270766
+H	 0.7682810655	-1.1921468638	-1.4583949601	 0.123305
+H	 0.9827301079	 0.4606627514	-2.0509453541	 0.123054
+H	 2.3956405593	-0.5257721139	-1.6442701578	 0.114383
+H	 0.2885671407	 0.5048645056	 0.3665534427	 0.09922
+H	 2.7953990424	 1.9178169232	-0.3835583132	 0.074874
+H	 3.1954473609	 2.147350808	 3.0055147422	 0.102893
+H	 1.7295890084	 1.1485858483	 3.2466949088	 0.120423
+H	 4.0681150239	 0.2803371239	 1.5494926021	 0.081506
+H	 1.7546997322	-2.7077033937	 0.4694909486	 0.117082
+H	 3.1644961022	-2.4563973336	 1.6239047923	 0.114218
+19
+0 3375	2.6956854	1.5896988	1.1619331	2.3131	74.96	-0.25169	0.05883	0.31052	1085.7527	0.156875	-422.504525	-422.496448	-422.495504	-422.537258	31.259
+O	 0.1078813989	 0.0308576	 0.0145571768	-0.44309
+C	-0.9671025361	-0.1320153089	 0.895506266	 0.075918
+C	-1.1057441723	 0.8807287796	 2.0870551497	-0.059532
+C	-1.6950885368	 0.2666847962	 3.3779513187	-0.226498
+C	-3.1364018746	 0.4689040059	 2.8168667326	-0.235793
+C	-2.5611655346	 1.2404447941	 1.5898917063	-0.125389
+C	-2.3115506971	 0.3973459625	 0.3503105039	 0.380687
+C	-3.1562487775	-0.0925078499	-0.7366428944	-0.265507
+O	-2.2604260561	 1.0191538057	-0.9363708005	-0.286399
+H	-0.2243686657	 0.5701928695	-0.7175083958	 0.293882
+H	-0.9877880881	-1.1765855985	 1.2327335446	 0.078043
+H	-0.2932705056	 1.6036350408	 2.1546181807	 0.077707
+H	-1.391669835	-0.760859258	 3.6018392564	 0.098269
+H	-1.5046857724	 0.878153692	 4.2632737648	 0.105021
+H	-3.6716401612	-0.4501303764	 2.5604928264	 0.100362
+H	-3.7879801925	 1.071482386	 3.4527333827	 0.107326
+H	-2.9219100752	 2.254454948	 1.4156250867	 0.080721
+H	-2.8822149777	-1.0062641201	-1.2619783726	 0.122735
+H	-4.2138870605	 0.1648364714	-0.7665512632	 0.121536
+19
+0 3376	2.4715062	1.6821472	1.1738155	1.341	75.44	-0.24311	0.05838	0.30149	1078.7269	0.157009	-422.502146	-422.494001	-422.493056	-422.534906	31.336
+O	 0.4153761109	-0.0247885174	 0.4523076819	-0.431353
+C	-0.8017272199	 0.5548322202	 0.8598197897	 0.054129
+C	-2.0933786257	 0.0933099681	 0.1097446555	-0.127877
+C	-3.3876004489	 0.2265580556	 0.9291759378	-0.082163
+O	-3.5368539159	 1.6200187827	 0.5689266653	-0.28903
+C	-2.379503858	 1.5697585377	-0.295532167	 0.006545
+C	-1.0803808857	 1.996002319	 0.3798104075	 0.321127
+C	-0.7707380231	 3.2970659341	 1.0510569567	-0.318855
+C	-0.0397871501	 2.9144792812	-0.2100833669	-0.337535
+H	 0.553458198	 0.2016402035	-0.4743183392	 0.278745
+H	-0.8476035002	 0.4066976715	 1.9436102167	 0.090495
+H	-1.9831363572	-0.7419297154	-0.5806144194	 0.079368
+H	-4.2298434871	-0.370977601	 0.5587572996	 0.102646
+H	-3.2957015322	 0.0808399484	 2.0134208112	 0.101004
+H	-2.5995860519	 1.9423310374	-1.3006021666	 0.072157
+H	-1.5211515948	 4.0788493859	 0.9993175818	 0.124526
+H	-0.2215253646	 3.2622263124	 1.9865181629	 0.119205
+H	-0.2838208245	 3.4372932362	-1.1296070716	 0.116147
+H	 0.9982960609	 2.6093897898	-0.1226223556	 0.12072
+19
+0 3377	2.4949016	1.6598364	1.173816	2.7901	74.9	-0.23542	0.05548	0.2909	1079.0287	0.156962	-422.501457	-422.493313	-422.492369	-422.534122	31.396
+O	 0.6009896794	 0.4503147409	 0.6456346547	-0.422534
+C	-0.6147708923	-0.1433744759	 1.0359545729	 0.041249
+C	-1.8613381779	 0.0974088064	 0.1322390687	 0.068665
+O	-2.7662531949	-1.0219974713	 0.1416038868	-0.287535
+C	-3.5718902137	-0.425115391	 1.1869352493	-0.079449
+C	-2.6182742208	 0.77732225	 1.3141257977	-0.189064
+C	-1.3829814494	 0.5438947218	 2.1896109414	 0.323261
+C	-0.7601824989	 1.5483662263	 3.1224529216	-0.342665
+C	-1.3140267097	 0.2514127806	 3.6588515617	-0.325082
+H	 0.4782499336	 1.4060940607	 0.6447493851	 0.281084
+H	-0.4107431388	-1.2089016436	 1.1713964672	 0.101009
+H	-1.6925647848	 0.5190254024	-0.8631567593	 0.077356
+H	-4.5732304242	-0.1732741012	 0.8157037685	 0.100552
+H	-3.6643976103	-1.0739095258	 2.0663177611	 0.103628
+H	-3.0505058301	 1.7778527837	 1.2904017429	 0.076889
+H	 0.3187533742	 1.6619307476	 3.0849724319	 0.123114
+H	-1.3058917173	 2.4641928753	 3.3267775527	 0.114172
+H	-0.6098520174	-0.5039412625	 3.9925661047	 0.121416
+H	-2.2360966367	 0.2871380054	 4.2307034903	 0.113932
+19
+0 3378	1.9607534	1.8156669	1.1842993	3.2252	75.28	-0.24486	-0.0184	0.22646	1107.5622	0.155948	-422.530982	-422.522322	-422.521377	-422.565003	31.418
+C	 0.9676959577	 1.1099722407	-0.2844643981	-0.422271
+C	 0.9710719708	-0.3883437603	-0.0117952221	 0.010834
+C	 1.694091289	-1.2676394465	-1.0771026328	-0.088785
+C	 1.2215159434	-2.7313654472	-1.1330105737	-0.088703
+O	 2.1142004113	-3.1089908634	-0.052012121	-0.286183
+C	 2.6772197303	-1.7864232089	 0.0058304497	 0.098982
+C	 1.9864273998	-0.8725453288	 1.0667515023	-0.134493
+C	 1.4513756851	-1.5989856637	 2.2721371085	 0.159651
+O	 0.2824667846	-1.7017476783	 2.5449298685	-0.247711
+H	 0.5987750516	 1.663790405	 0.5852919751	 0.125222
+H	 1.9749109012	 1.4784357417	-0.5127775143	 0.111608
+H	 0.3237261641	 1.3539314742	-1.1362221322	 0.11903
+H	-0.0432495041	-0.7327728186	 0.2086195718	 0.097856
+H	 1.999915087	-0.7865575456	-2.0056306031	 0.07787
+H	 0.1694087977	-2.9152204881	-0.8855450784	 0.113693
+H	 1.4770554004	-3.2671712276	-2.0553430739	 0.104778
+H	 3.768524946	-1.7914770093	-0.0518584332	 0.078907
+H	 2.6663195624	-0.0812635903	 1.4095038426	 0.09116
+H	 2.2330945218	-2.0598144551	 2.9175519644	 0.078555
+19
+0 3379	2.5412629	1.4194532	1.0461355	1.3543	76.05	-0.24684	-0.02472	0.22212	1170.2731	0.156046	-422.531641	-422.523011	-422.522067	-422.565418	31.396
+C	 0.7854046798	-0.1482422672	-1.0912476803	-0.409344
+C	 0.9580184049	 0.2864798321	 0.353986126	-0.013193
+C	 1.8537883698	 1.514661576	 0.651906908	 0.110882
+O	 3.0049522255	 1.6089834366	-0.2141617353	-0.292883
+C	 3.8700556318	 1.0308363384	 0.7959242494	-0.091839
+C	 2.6742723386	 0.7155545177	 1.7010304083	-0.092712
+C	 1.9030505224	-0.5654736574	 1.2992932268	-0.108707
+C	 1.1575617657	-1.2747397298	 2.3915518854	 0.131977
+O	 1.1650604465	-0.958808886	 3.555556242	-0.249156
+H	 0.3206475502	-1.1376597279	-1.155278927	 0.114584
+H	 0.1478596516	 0.5557143077	-1.6368377355	 0.12214
+H	 1.7544564279	-0.1826312852	-1.5960136815	 0.135552
+H	-0.0168272314	 0.4266947691	 0.8367859479	 0.084974
+H	 1.3746387409	 2.4850320425	 0.8091591597	 0.077995
+H	 4.4497493741	 0.1811058137	 0.4140559595	 0.10141
+H	 4.5590910158	 1.7833216737	 1.2002944298	 0.10598
+H	 2.719766302	 0.9355379207	 2.7647014003	 0.103538
+H	 2.4950362919	-1.301038083	 0.7407019914	 0.091477
+H	 0.538792682	-2.1326689614	 2.0385369351	 0.077324
+19
+0 3380	2.0527159	1.6748108	1.0615608	2.695	75.8	-0.24146	-0.02209	0.21937	1151.4338	0.156309	-422.535516	-422.526905	-422.525961	-422.569129	31.993
+O	 0.219631682	-0.6753650319	-3.1502403675	-0.427944
+C	-0.0578412656	-0.3561569503	-1.814119309	 0.123428
+C	-1.3806109109	-0.878341278	-1.1677942484	-0.066206
+C	-2.1220430127	 0.1523650365	-0.2880506062	-0.229697
+C	-1.1582655301	-0.1830543087	 0.8918412319	-0.231306
+C	-0.5587084202	-1.3711506107	 0.0759280822	-0.045209
+C	 0.7553698321	-1.105627095	-0.6890776632	-0.121584
+C	 1.9175645339	-0.3831976728	-0.0746398424	 0.133033
+O	 2.0129419912	-0.0677415646	 1.0862389235	-0.250321
+H	 0.080243333	-1.6209023772	-3.2718813984	 0.280287
+H	 0.0358410617	 0.7328045276	-1.7512332852	 0.098821
+H	-1.9575516867	-1.5419035408	-1.8164547869	 0.061664
+H	-2.1290979818	 1.1838657784	-0.6537828761	 0.09917
+H	-3.1537186257	-0.142991893	-0.0798338866	 0.10349
+H	-0.436094628	 0.5934809773	 1.1443253471	 0.124872
+H	-1.6583121265	-0.4866969502	 1.8134740904	 0.106308
+H	-0.6791965128	-2.3603420344	 0.5169087974	 0.071651
+H	 1.1416202293	-2.0331260922	-1.1350495173	 0.088339
+H	 2.7197440378	-0.1215186797	-0.8048443652	 0.081203
+19
+0 3381	2.7413265	1.6037275	1.1908584	2.5332	76.9	-0.24213	0.01498	0.25711	1079.0646	0.158063	-422.556909	-422.548791	-422.547847	-422.589412	31.177
+C	 1.3992284122	 0.7174458245	 0.4587823879	-0.490696
+C	-0.0038879282	 0.2164343754	 0.3511738036	 0.293181
+C	-1.1172822044	 0.918300705	 0.1219793878	-0.197665
+C	-2.3498500304	 0.0619840099	 0.0229226159	-0.1172
+C	-2.7230367732	-0.3931729131	-1.4094814484	-0.077379
+O	-2.0291404209	-1.6526946036	-1.2259389524	-0.30715
+C	-1.8030642669	-1.3756858955	 0.182023057	 0.078179
+C	-0.2898819486	-1.2758996713	 0.4860177294	 0.03171
+O	 0.4767103792	-2.0793431495	-0.3922098645	-0.433754
+H	 1.8064823112	 0.5314889422	 1.4612906545	 0.125991
+H	 2.0435592431	 0.1757396718	-0.2422107185	 0.144375
+H	 1.47131274	 1.7885457628	 0.2530168145	 0.11877
+H	-1.1499429547	 1.9948952645	-0.0162142473	 0.090381
+H	-3.1822812721	 0.3808973605	 0.6534706467	 0.083294
+H	-3.7942255156	-0.5580598423	-1.5778194458	 0.103545
+H	-2.3053437507	 0.190990193	-2.2364641056	 0.107194
+H	-2.3449477005	-2.0838073963	 0.815167234	 0.07826
+H	-0.0583276694	-1.6277533346	 1.5005223732	 0.079538
+H	-0.00859359	-2.0646083435	-1.230806282	 0.289426
+19
+0 3382	2.8036506	1.4314182	1.1182429	2.0388	77.	-0.24001	0.00877	0.24878	1133.4246	0.157055	-422.554092	-422.545556	-422.544612	-422.587273	31.935
+C	 1.3716121289	 0.7335915936	 0.4144841024	-0.493972
+C	-0.0232765006	 0.2109009042	 0.2883373343	 0.334007
+C	-1.1524985452	 0.9085456947	 0.1322470445	-0.191724
+C	-2.3651708392	 0.0337879532	 0.0334919569	 0.095344
+O	-3.1391592406	-0.0524260665	 1.2677557363	-0.296034
+C	-2.6025995222	-1.3587455878	 1.5535456802	-0.089177
+C	-1.8136973713	-1.4002109875	 0.2267870405	-0.116311
+C	-0.2798135993	-1.2861110539	 0.2962730834	 0.00832
+O	 0.390324549	-1.8528437952	-0.8299399994	-0.438689
+H	 1.8140062175	 0.4440215707	 1.3764736267	 0.12431
+H	 2.007839092	 0.3037179551	-0.3665633465	 0.146827
+H	 1.4056117742	 1.8230746293	 0.3372601772	 0.123276
+H	-1.2097104649	 1.991508759	 0.0994137856	 0.095805
+H	-3.022682577	 0.2611393401	-0.8123818591	 0.078334
+H	-1.9856965363	-1.3666938756	 2.4633620082	 0.093741
+H	-3.3970911172	-2.107000655	 1.6592494112	 0.099967
+H	-2.1339165169	-2.1620285735	-0.4842069776	 0.078154
+H	 0.1111250376	-1.7410046264	 1.222332285	 0.065192
+H	 0.3877459915	-2.8097590084	-0.7277074198	 0.282631
+19
+0 3383	2.7094751	1.5340031	1.1973645	4.2493	74.6	-0.26102	0.01535	0.27636999999999995	1092.1572	0.158251	-422.598883	-422.590808	-422.589864	-422.631842	30.481
+C	-0.5074082302	 2.0193656261	-1.4473109772	-0.410845
+C	-0.7989930307	 1.4175642683	-0.063720676	-0.142067
+C	-2.1834521332	 0.7979296337	 0.0880530901	-0.027952
+C	-2.7522719146	 0.6250630521	 1.5315188029	-0.253262
+C	-2.7571444291	-0.9195402974	 1.3379290746	-0.234083
+C	-1.9508307709	-0.7423853796	 0.0342591076	 0.101605
+O	-0.5449278801	-0.9345880168	 0.2257487711	-0.229219
+C	 0.1495929121	 0.2391894778	 0.1978691918	 0.421148
+O	 1.3371941651	 0.2776532916	 0.3385097839	-0.34257
+H	-0.7110197468	 1.297084308	-2.2451530562	 0.123581
+H	-1.1320112126	 2.9004605145	-1.620985062	 0.12041
+H	 0.5423245937	 2.3149605653	-1.518472382	 0.144648
+H	-0.6021123723	 2.1745392322	 0.7021700465	 0.10911
+H	-2.9124056681	 1.1794535194	-0.6282807903	 0.078704
+H	-2.0582420806	 0.9661974412	 2.3045228134	 0.112021
+H	-3.7230862252	 1.0881896388	 1.7167688741	 0.108833
+H	-2.2690469853	-1.5243880117	 2.1042450984	 0.121018
+H	-3.7548558776	-1.323640401	 1.1488983134	 0.1098
+H	-2.2552000635	-1.3166858426	-0.8434916941	 0.089119
+19
+0 3384	2.5661206	1.5384835	1.2131331	3.1761	74.32	-0.23785	-0.02022	0.21763000000000002	1085.8583	0.157355	-422.573636	-422.565381	-422.564437	-422.607058	30.8
+C	-0.4280842723	 1.9807680048	 1.3713434837	-0.414
+C	-0.7744531729	 1.3129142235	 0.0279530943	-0.089537
+C	-2.2232964411	 0.8133916674	-0.0557718857	-0.088943
+C	-2.8053722978	 0.6503655157	-1.4734912076	-0.088908
+O	-2.5613436911	-0.7723616325	-1.4665826075	-0.292785
+C	-2.1739053915	-0.7494808495	-0.0734327066	 0.119526
+C	-0.7357148953	-1.1922842476	 0.1257887551	-0.338318
+C	 0.1069903924	 0.0587245521	-0.1523429511	 0.387673
+O	 1.2768974754	 0.0758361748	-0.4298757861	-0.313182
+H	-0.6437116817	 1.3163457132	 2.2156713615	 0.118684
+H	 0.6336296266	 2.2387360081	 1.4054402008	 0.140684
+H	-1.0139856471	 2.8946896506	 1.5084958134	 0.122263
+H	-0.5368749479	 2.0132033105	-0.7798928571	 0.102406
+H	-2.8813038179	 1.2860640424	 0.6744449397	 0.07893
+H	-3.8756732469	 0.8786069687	-1.5580504236	 0.101348
+H	-2.2678384063	 1.1558715509	-2.2853200925	 0.106692
+H	-2.8986521474	-1.2819124737	 0.5515048986	 0.076552
+H	-0.5528982382	-1.5038205381	 1.163054982	 0.126895
+H	-0.4487403891	-2.0199100213	-0.5265016613	 0.144023
+19
+0 3385	2.5589951	1.5335692	1.2374683	3.1379	74.28	-0.23715	-0.01941	0.21774	1081.6495	0.157346	-422.573765	-422.565463	-422.564519	-422.607242	30.829
+C	-0.5299630267	 1.9537902429	 1.4009032497	-0.416781
+C	-0.7724853186	 1.3472229673	 0.0071423295	-0.104395
+C	-2.1822878922	 0.8064894748	-0.1837577194	 0.116024
+O	-2.5429135666	 0.7003395163	-1.5803037511	-0.294952
+C	-2.7422172004	-0.725102596	-1.4719593816	-0.079339
+C	-2.1627246679	-0.7514391114	-0.0444732288	-0.086494
+C	-0.6913747243	-1.157476322	 0.0675100742	-0.340294
+C	 0.1316103487	 0.1173635243	-0.1877175982	 0.388198
+O	 1.3030742991	 0.1473392181	-0.457254034	-0.312903
+H	-0.775319578	 1.2435678684	 2.1987301787	 0.118414
+H	 0.5192961394	 2.2378793982	 1.5141115822	 0.142051
+H	-1.1492984046	 2.8440896292	 1.5453642891	 0.12653
+H	-0.5410594462	 2.0879472255	-0.7636708773	 0.114969
+H	-2.9444823741	 1.3494969331	 0.3873568763	 0.071933
+H	-3.8047804771	-0.9929551755	-1.5370894547	 0.101639
+H	-2.1870217387	-1.278486579	-2.2393828977	 0.107044
+H	-2.7999369248	-1.1986554537	 0.7179153957	 0.0826
+H	-0.4453852649	-1.5084586986	 1.0774173758	 0.133026
+H	-0.3867058621	-1.949070422	-0.6225087181	 0.13273
+19
+0 3386	2.7885081	1.509535	1.0781337	2.7865	74.54	-0.25238	-0.02854	0.22383999999999998	1121.4023	0.157824	-422.578105	-422.570123	-422.569179	-422.610723	30.99
+O	-0.4567828747	 2.2729312134	 0.7727455078	-0.443284
+C	-0.7868360538	 1.1398754796	 0.0190876736	 0.046437
+C	-2.2561013531	 0.7033775108	 0.0971485878	-0.040273
+C	-3.0997361837	 0.868274481	-1.1929388814	-0.230579
+C	-2.6924347673	-0.5707160339	-1.6196954634	-0.237278
+C	-2.2118812928	-0.848646698	-0.1636162776	 0.000423
+C	-0.7834653068	-1.3557606234	 0.0959715527	-0.361372
+C	-0.0096224516	-0.098054166	 0.4854219294	 0.365513
+O	 1.0055823692	-0.0208600242	 1.1319313477	-0.325052
+H	 0.3829796597	 2.057361958	 1.2076039651	 0.289999
+H	-0.5101246736	 1.2844092222	-1.0442842143	 0.086593
+H	-2.6873370881	 1.0569835161	 1.0360177146	 0.083953
+H	-4.1673782685	 0.9422373252	-0.9708854145	 0.105443
+H	-2.8281244162	 1.6900571596	-1.8607626958	 0.104685
+H	-3.4809441686	-1.2176570486	-2.0106463098	 0.103023
+H	-1.8632898292	-0.5774823846	-2.3345925361	 0.100914
+H	-2.9561466152	-1.4038473742	 0.4094239274	 0.08104
+H	-0.7076052621	-2.0869977585	 0.9054215413	 0.136325
+H	-0.3231854838	-1.8132336945	-0.7881848445	 0.133491
+19
+0 3387	2.9487908	1.353703	1.075705	2.3071	75.36	-0.22979	0.08024	0.31003000000000003	1168.4004	0.156656	-422.519139	-422.510938	-422.509994	-422.551741	31.364
+C	-0.1847009885	 0.1254985995	-0.164245681	-0.418753
+C	 1.3241887682	 0.1839714887	-0.0789565656	-0.07168
+C	 2.1471354074	-0.9123032456	-0.6970873872	 0.105583
+O	 3.4579667893	-0.6240856968	-1.1170329968	-0.26321
+C	 4.1797297513	-0.0651213334	-0.0204209602	-0.16889
+C	 3.43541836	-0.4839590325	 1.2480339179	 0.414971
+C	 3.8375918421	-0.0802855691	 2.5963847186	-0.252034
+O	 4.0802832887	-1.4126190136	 2.1260988003	-0.276619
+C	 2.0464037443	-0.8308932881	 0.8043024904	-0.185854
+H	-0.6531503113	 0.6302099982	 0.6877712724	 0.121317
+H	-0.545887126	 0.6041528105	-1.0806732886	 0.12401
+H	-0.5397422355	-0.9106900089	-0.1685776829	 0.118231
+H	 1.7464779632	 1.1852607502	-0.1156323404	 0.090818
+H	 1.685650113	-1.6888520852	-1.2962252802	 0.10456
+H	 5.2014116538	-0.4544993795	-0.0302762082	 0.127586
+H	 4.219551832	 1.0301996507	-0.1082291395	 0.102971
+H	 4.7273866225	 0.5331317757	 2.7406272678	 0.112574
+H	 3.0852341914	 0.0121458923	 3.3787916711	 0.114831
+H	 1.4801184343	-1.531203463	 1.4065062223	 0.099588
+19
+0 3388	2.8010438	1.3739381	1.0722771	1.0994	74.96	-0.24604	0.07361	0.31965	1152.9152	0.157602	-422.534057	-422.526073	-422.525129	-422.566313	31.407
+O	 0.2924911107	-0.3662892647	 0.407652328	-0.433313
+C	-0.6637258668	 0.5657648721	 0.8199305673	 0.088278
+C	-1.5478407336	 0.1078301012	 1.9348096866	-0.060083
+C	-2.9279744283	 0.745478937	 2.0683391538	-0.23147
+C	-2.6793047935	 2.2694055332	 1.9858272804	-0.324648
+C	-1.2356210801	 2.4626184094	 2.4563193975	 0.486606
+C	-0.854779486	 3.3854875742	 3.5329326369	-0.25987
+O	-0.60348884	 3.7132293598	 2.1619307593	-0.292586
+C	-0.4998033819	 1.1808104294	 2.1969422095	-0.190948
+H	 1.0830594959	 0.1182117841	 0.1467832015	 0.287829
+H	-1.0856668956	 1.1753414679	 0.0199593275	 0.08896
+H	-1.391290415	-0.9060107695	 2.2844856012	 0.097166
+H	-3.6348521596	 0.3976369424	 1.3078774203	 0.104457
+H	-3.3475445908	 0.4818390302	 3.0454693785	 0.105924
+H	-2.7550046697	 2.6230483582	 0.9517648572	 0.120548
+H	-3.3924062758	 2.851906975	 2.5736520616	 0.106243
+H	-1.619513075	 3.9858583831	 4.0259211482	 0.109117
+H	 0.0310005578	 3.1839723832	 4.1356070328	 0.109626
+H	 0.4158249275	 0.965422264	 2.735477692	 0.088164
+19
+0 3389	2.9981527	1.3457125	1.0929797	2.1687	75.73	-0.22778	0.07517	0.30295	1147.3667	0.156721	-422.523938	-422.515652	-422.514708	-422.556568	32.054
+O	 0.3654812828	-0.3197707224	 0.206654871	-0.441242
+C	-0.6168377015	 0.5506845413	 0.6868790179	 0.14279
+C	-1.477486251	 0.1785762676	 1.8635180784	-0.133123
+C	-2.8184125716	 0.882218864	 1.9814280246	-0.109411
+O	-2.5488176608	 2.2616019931	 1.7224374445	-0.296621
+C	-1.2352835796	 2.5466227816	 2.1609042373	 0.472648
+C	-0.7524127485	 3.9370281121	 1.9182650098	-0.334543
+C	-1.0501942929	 3.4704369931	 3.3369044458	-0.339682
+C	-0.4360195609	 1.287735898	 1.9902204558	-0.213576
+H	 0.7413688403	-0.8042411346	 0.9487110823	 0.282549
+H	-1.0745336482	 1.0819016129	-0.1418580508	 0.120881
+H	-1.342580251	-0.7886216907	 2.3366238343	 0.086173
+H	-3.5655398882	 0.5594910082	 1.2491634005	 0.110592
+H	-3.2336248334	 0.7414826663	 2.9916810869	 0.094856
+H	 0.281680011	 4.078626254	 1.6236772245	 0.11724
+H	-1.4540645762	 4.6275890965	 1.4641219104	 0.12507
+H	-0.2188257413	 3.3017658349	 4.0139442616	 0.107956
+H	-1.9515067633	 3.8526280491	 3.8029412768	 0.120111
+H	 0.4793073142	 1.1561966149	 2.5571380483	 0.087332
+19
+0 3390	2.8619154	1.3686488	1.0788421	0.4685	75.	-0.21986	0.07301	0.29287	1152.9656	0.157027	-422.519069	-422.510908	-422.509964	-422.551575	31.768
+O	 0.4975106609	-0.1823396421	 0.5478712978	-0.423335
+C	-0.6397529856	 0.5841954016	 0.8213586448	 0.015164
+C	-1.9756082357	 0.0723818355	 0.334158666	 0.051628
+O	-3.1507875123	 0.5361472724	 0.9460098867	-0.259731
+C	-3.1455155137	 1.9662329993	 0.9191267494	-0.166356
+C	-2.1784205776	 2.3869358184	-0.1934237947	 0.354117
+C	-2.6373645573	 3.2144524007	-1.36616102	-0.317757
+C	-1.7192747512	 3.8129404172	-0.3238654506	-0.316783
+C	-1.2895642291	 1.1925855868	-0.4035824363	-0.189108
+H	 0.5016835933	-0.9321900973	 1.1528309407	 0.288755
+H	-0.604866828	 1.1713976435	 1.7400394289	 0.09045
+H	-2.0623775309	-0.9385954491	-0.0474922618	 0.104506
+H	-4.1728507951	 2.3074209944	 0.7544151019	 0.110537
+H	-2.8107447282	 2.3550865789	 1.8922176354	 0.099647
+H	-2.2244652081	 2.9910614391	-2.3446521645	 0.115124
+H	-3.6718442896	 3.5425244244	-1.3846362765	 0.112625
+H	-0.6842876645	 3.993766649	-0.5932594408	 0.11943
+H	-2.1349201169	 4.5480659637	 0.3590351933	 0.110742
+H	-0.8044181003	 1.0358957334	-1.35968355	 0.100345
+19
+0 3391	2.5150508	1.8501284	1.4571523	2.1936	73.87	-0.24824	0.0874	0.33564	975.5079	0.158233	-422.54084	-422.533096	-422.532152	-422.572559	30.723
+C	 1.5762776939	-0.3089259727	-3.1273542031	-0.514168
+C	 0.4893514213	 0.1943293554	-2.2221451993	 0.298546
+C	-0.2678934603	 1.4809887124	-2.4962530996	-0.12379
+C	-0.6866610642	 2.3723918306	-1.3406561146	-0.119738
+O	-1.3639204407	 1.5030804083	-0.4140422539	-0.283805
+C	-1.2086061355	 0.1595866026	-0.8865872569	 0.022733
+C	-1.0373591763	 0.1951447934	-2.4134533949	-0.137115
+C	 0.2904522476	-0.2410651535	-0.7596818861	 0.094764
+O	 1.0226473289	 0.3585951488	 0.2759332724	-0.454627
+H	 2.547023313	 0.1137922105	-2.844832836	 0.132762
+H	 1.6606633807	-1.4002500258	-3.0719268225	 0.120099
+H	 1.3876276594	-0.0395186079	-4.1720572984	 0.116267
+H	-0.1001585608	 1.9337524126	-3.4672671357	 0.091903
+H	 0.1634284406	 2.8545223148	-0.842301018	 0.105626
+H	-1.3858519116	 3.1521496128	-1.667065272	 0.108179
+H	-1.9678379693	-0.461209162	-0.4142534288	 0.083888
+H	-1.6669029538	-0.2345641269	-3.1803111058	 0.091922
+H	 0.4085548648	-1.32972242	-0.6921041423	 0.076233
+H	 0.4529476622	 1.0603421767	 0.6203509356	 0.29032
+19
+0 3392	2.458653	1.8627575	1.4611141	2.7332	74.66	-0.21891	0.07099	0.2899	980.1342	0.157501	-422.534317	-422.526301	-422.525356	-422.566333	31.281
+C	 1.4709430223	-0.1128747079	-3.1708802106	-0.51297
+C	 0.3709828991	 0.3397122515	-2.2542249903	 0.273625
+C	-0.4004391316	 1.6326836915	-2.4564330045	 0.078371
+O	-0.7114341481	 2.4694235661	-1.3702537542	-0.265914
+C	-1.515470338	 1.7039169916	-0.4649647634	-0.062192
+C	-1.3518982697	 0.2540651271	-0.9208683664	-0.154848
+C	-1.1684122834	 0.361413715	-2.4563780234	-0.174995
+C	 0.1574895816	-0.1629216799	-0.8369220287	 0.088219
+O	 0.9906060735	 0.4097859228	 0.1471429286	-0.431487
+H	 2.4426191784	 0.2530876032	-2.8208302964	 0.134989
+H	 1.523739459	-1.2070085245	-3.2230718255	 0.113393
+H	 1.3223345213	 0.2610416018	-4.1893315302	 0.117082
+H	-0.2104667475	 2.1817307331	-3.3717721283	 0.099187
+H	-1.135243986	 1.8609382792	 0.5491448575	 0.105235
+H	-2.5634129306	 2.0342427217	-0.5155935625	 0.087219
+H	-2.0859235346	-0.4412821458	-0.5143938511	 0.068179
+H	-1.7894404798	-0.0455914467	-3.2428088797	 0.089082
+H	 0.2363422302	-1.2595195822	-0.827053561	 0.065896
+H	 0.9248200938	-0.1165094976	 0.9499145802	 0.281927
+19
+0 3393	2.6463412	1.7811679	1.2978521	0.6526	73.95	-0.22033	0.07554	0.29586999999999997	1015.2365	0.15743	-422.531138	-422.523239	-422.522295	-422.562962	31.287
+C	 0.701002768	 0.6847478584	-0.06297938	-0.40559
+C	 0.9395712706	-0.8053943099	 0.1465868429	-0.055328
+C	 1.720134609	-1.4957967959	-1.0286927333	-0.078373
+C	 1.3961976983	-2.988003068	-1.0787632136	-0.088991
+O	 1.7516850137	-3.4735266633	 0.2247204497	-0.270663
+C	 2.6345578985	-2.5235509679	 0.7831881441	 0.023744
+C	 3.0200421798	-1.443755246	-0.176402262	-0.176959
+C	 2.1533958477	-1.104913544	 1.0337787893	 0.345512
+O	 2.5368688713	-0.3652242879	 2.1384037409	-0.464565
+H	 0.3712257619	 1.1631748324	 0.8642623753	 0.118079
+H	 1.6193010028	 1.1886781925	-0.3833870505	 0.119741
+H	-0.0667339138	 0.8534712603	-0.8254251922	 0.108448
+H	 0.0059403825	-1.3072469021	 0.4332158487	 0.064885
+H	 1.7011235649	-0.9805798343	-1.9889636174	 0.075506
+H	 0.3335628372	-3.195185037	-1.2430330816	 0.106333
+H	 1.9828152225	-3.5075900152	-1.8513568165	 0.092152
+H	 3.3554154097	-2.9424006163	 1.4758464827	 0.103675
+H	 4.0206397085	-1.1564741292	-0.4692411465	 0.094845
+H	 2.1013991269	-0.7336806766	 2.9154641398	 0.28755
+19
+0 3394	2.6480331	1.7814171	1.2910731	1.557	74.01	-0.23706	0.07342	0.31048	1016.2828	0.15748	-422.533531	-422.525603	-422.524659	-422.56539	31.333
+C	 0.6822017702	 0.7012968087	-0.0064594119	-0.403692
+C	 0.8636679855	-0.7956929364	 0.2138789235	-0.092194
+C	 1.5417751823	-1.5362554345	-0.9950136181	 0.084282
+O	 1.1417575689	-2.8947644048	-1.0918862173	-0.266185
+C	 1.5636543255	-3.5375285962	 0.1160191075	-0.105781
+C	 2.5583538646	-2.5770786197	 0.7567610927	-0.162724
+C	 2.894631071	-1.4980804254	-0.2434329408	-0.146944
+C	 2.1313397928	-1.1359034171	 1.0104485739	 0.386732
+O	 2.6183053501	-0.4053608391	 2.079316703	-0.465105
+H	 0.4525712306	 1.2130244324	 0.9331177794	 0.117763
+H	 1.5958280494	 1.1533638109	-0.4081773264	 0.118999
+H	-0.1338054728	 0.8950997033	-0.7101819428	 0.112508
+H	-0.0750692466	-1.2542483267	 0.5495403268	 0.063749
+H	 1.4458733843	-1.0704734191	-1.9752710412	 0.083111
+H	 0.6956148988	-3.7411966747	 0.7586385345	 0.094315
+H	 2.0295222119	-4.4966772657	-0.1399985121	 0.104698
+H	 3.3465875036	-2.9533053512	 1.3983518612	 0.094607
+H	 3.8822430184	-1.2420162519	-0.6001909766	 0.095871
+H	 2.1938060815	-0.7232253029	 2.8840430247	 0.285992
+19
+0 3395	2.6741673	1.7523049	1.2959368	1.6486	73.86	-0.23051	0.06892	0.29943	1010.8054	0.158448	-422.544917	-422.53723	-422.536286	-422.576507	31.193
+O	 0.5644633051	 0.2556125942	 0.8334371761	-0.453446
+C	-0.8101554569	 0.6083616822	 0.9408830341	 0.061623
+C	-1.4362958366	 0.3462933268	 2.3477215882	-0.080145
+C	-2.9602709517	 0.1658867674	 2.2596032337	-0.214373
+C	-3.463383541	 1.5039959218	 1.6470216682	-0.242277
+C	-2.2753862422	 2.4535733219	 1.8132376269	-0.092733
+C	-1.1964137129	 1.8460034939	 2.6924319322	-0.208315
+C	-0.9560387269	 2.1027394796	 1.1925610292	 0.400224
+O	-0.2050827983	 3.0436522683	 0.5257640771	-0.469688
+H	 0.9804059578	 0.4587138694	 1.6806154435	 0.279495
+H	-1.2933556382	 0.1630320994	 0.0639400216	 0.079438
+H	-0.9122893572	-0.4163792645	 2.9268573787	 0.066355
+H	-3.2404852499	-0.7057364315	 1.659641984	 0.099699
+H	-3.3764473193	 0.0218468938	 3.2623405191	 0.100148
+H	-3.747258067	 1.3909139675	 0.5954173338	 0.105013
+H	-4.3430574221	 1.883232815	 2.1756206601	 0.100795
+H	-2.444776954	 3.5222772837	 1.8964819082	 0.09468
+H	-0.800317997	 2.2902097833	 3.5957342139	 0.087773
+H	 0.6379197183	 2.6130946378	 0.3280923914	 0.285734
+19
+0 3396	3.0324886	1.7133744	1.4840641	2.3253	73.32	-0.2253	0.06656	0.29186	961.2699	0.159059	-422.519068	-422.512057	-422.511113	-422.55006	28.577
+C	 0.0394815755	 0.0512287587	 0.0854865161	-0.418736
+C	 1.5646266458	 0.0711415108	 0.0197164207	-0.022519
+C	 2.2561056098	-0.9562782052	 0.9681673967	 0.062287
+O	 3.583965217	-0.5743490342	 1.2712698591	-0.262504
+C	 4.3015227001	-0.2003525251	 0.0929175761	-0.089612
+C	 3.6973253397	-0.9433006631	-1.0905485325	 0.049679
+O	 3.5711183867	-2.3322242236	-0.664495823	-0.293039
+C	 2.2484589771	-2.0103175907	-0.229767774	 0.108125
+C	 2.133772697	-0.7717142474	-1.141974646	-0.092989
+H	-0.3145082494	 0.4676889487	 1.0344325482	 0.120818
+H	-0.3983440742	 0.6425290704	-0.7257254469	 0.118961
+H	-0.3575052181	-0.9665781222	 0.0010325167	 0.118237
+H	 1.9318005376	 1.0972765534	 0.1234463781	 0.075678
+H	 1.7698291842	-1.2139819682	 1.9106777565	 0.079109
+H	 4.2727467582	 0.8890706755	-0.062473438	 0.093212
+H	 5.3430983122	-0.5007577879	 0.2432546774	 0.117761
+H	 4.2658320748	-0.8356017694	-2.0174924315	 0.083467
+H	 1.5720225674	-2.8643866238	-0.180021068	 0.080681
+H	 1.6795567786	-0.7704910466	-2.1337217355	 0.071382
+19
+0 3397	2.9563515	1.6698463	1.466077	0.1632	72.71	-0.23765	0.05942	0.29707	959.5116	0.159625	-422.534553	-422.527487	-422.526543	-422.565569	29.021
+O	 0.4109423757	-0.0757980604	 0.5591584572	-0.449048
+C	-0.857441203	 0.5121947697	 0.7749085322	 0.150436
+C	-1.4569408007	 0.3130620095	 2.1996375055	-0.115998
+C	-2.9860474374	 0.4520484892	 2.1442611129	-0.208566
+C	-3.3366455841	 1.7094675995	 1.303511171	-0.226756
+C	-2.1677900917	 2.678930256	 1.4552408514	 0.089422
+O	-1.819507323	 2.7207574701	 2.8757029711	-0.301988
+C	-0.833618099	 1.7155852497	 2.6099796506	 0.102544
+C	-0.7872559787	 2.0186912873	 1.0960403692	-0.125485
+H	 1.0070807634	 0.2102109834	 1.2597559906	 0.279649
+H	-1.4720920618	 0.183577388	-0.0677845904	 0.083308
+H	-1.1238907896	-0.5743594139	 2.7425187605	 0.067097
+H	-3.4378008133	-0.4488411799	 1.7175297827	 0.098848
+H	-3.3757387726	 0.5684725317	 3.1589405357	 0.115144
+H	-3.4884771089	 1.4653696957	 0.2460496849	 0.105184
+H	-4.2591088583	 2.1750361088	 1.6633542363	 0.106987
+H	-2.3558336214	 3.67949023	 1.0585815023	 0.078751
+H	-0.0003341406	 1.7324200649	 3.3155788374	 0.076197
+H	-0.0521482851	 2.6555046605	 0.6021817488	 0.074274
+19
+0 3398	2.770407	1.8923699	1.6978985	2.1138	72.8	-0.24351	0.07295	0.31646	894.5033	0.160495	-422.534343	-422.527722	-422.526778	-422.564828	28.17
+O	 0.7085815249	 0.6504071029	 0.6686668752	-0.450402
+C	-0.6784537046	 0.4879483948	 0.7952573095	 0.179421
+C	-1.326204005	 0.2485738878	 2.2027247851	-0.120119
+C	-0.3767558936	-0.6368031271	 3.0027129603	-0.103819
+O	 0.1064633059	-1.6885135288	 2.1489961031	-0.291708
+C	-0.8851942359	-2.06052786	 1.190230594	 0.102415
+C	-2.2952882542	-2.141599511	 1.8318345115	-0.259516
+C	-2.4237297294	-0.6425383338	 1.4988927415	-0.039608
+C	-1.3669629016	-0.8095867198	 0.3529987905	-0.106461
+H	 1.107598616	-0.1652246835	 0.9980399853	 0.291293
+H	-1.1409979546	 1.3477055034	 0.3007637605	 0.0866
+H	-1.6587949179	 1.113421446	 2.7801091527	 0.07022
+H	 0.5032743639	-0.077699279	 3.3343192954	 0.116682
+H	-0.8666713743	-1.0596364059	 3.8900284706	 0.103125
+H	-0.4887646923	-2.9240765636	 0.6553195673	 0.084099
+H	-2.9735635801	-2.7329276238	 1.2097067638	 0.104928
+H	-2.3660151102	-2.4909356325	 2.8658632683	 0.101389
+H	-3.3988621399	-0.1760952269	 1.3602124794	 0.067727
+H	-1.615969497	-1.0038785391	-0.691409444	 0.063734
+19
+0 3399	2.9554125	1.723413	1.4917719	0.4767	73.57	-0.231	0.07168	0.30268	948.1537	0.159584	-422.527205	-422.520241	-422.519297	-422.55804	28.881
+O	 0.2545617707	 0.0873122401	 0.6277912286	-0.447144
+C	-0.8950033655	 0.7964956794	 0.2017525752	 0.099022
+C	-2.208919014	-0.0289096948	 0.3617079433	 0.058319
+O	-3.3548440151	 0.8047475148	 0.3071549759	-0.272025
+C	-3.2492792844	 1.751128556	-0.7626183519	-0.086764
+C	-2.4137472214	 1.1456964992	-1.8888406583	-0.073984
+C	-2.9146148544	-0.3111627549	-2.1131431895	-0.234995
+C	-1.9054128612	-0.7182104825	-1.0321199136	-0.033674
+C	-1.0596386048	 0.5678887193	-1.305597576	-0.038832
+H	 0.2310217085	 0.0379073051	 1.5893251962	 0.282274
+H	-0.90433633	 1.8206125531	 0.6004566824	 0.063346
+H	-2.3108662809	-0.6644377051	 1.2445030597	 0.072441
+H	-4.2708038807	 1.9600262966	-1.0991827853	 0.106105
+H	-2.8137687809	 2.6937037383	-0.4008589972	 0.09627
+H	-2.3453450298	 1.8190519396	-2.745567537	 0.069999
+H	-3.9775756379	-0.5061580052	-1.9417828695	 0.100332
+H	-2.6227694827	-0.7043541791	-3.0908944199	 0.098187
+H	-1.4836365979	-1.721197372	-0.9826214692	 0.07065
+H	-0.1870793775	 0.6069727518	-1.9582150339	 0.070474
+19
+0 3400	3.2550448	1.3683413	1.0695634	1.0934	75.05	-0.24567	0.07303	0.3187	1151.7342	0.157732	-422.523517	-422.515635	-422.514691	-422.555698	30.523
+C	 1.701759503	-0.6436294024	-1.4639948121	-0.417316
+C	 1.2797582187	 0.0114985996	-0.1688510851	-0.048723
+C	 2.0223475214	 1.1929865528	 0.3896155647	 0.08659
+O	 1.2546754815	 2.1863506184	 1.0011840102	-0.257238
+C	 1.4831111276	 2.3022901524	 2.4049684284	-0.105401
+C	 1.1731591204	 1.0025446497	 3.1317645823	 0.025804
+O	 2.2879113443	 0.1987916226	 3.5269100667	-0.254336
+C	 1.4885520778	-0.254019154	 2.4267654734	 0.024083
+C	 2.1244842864	-0.1504770695	 1.0815089807	-0.107972
+H	 1.3954560782	-1.6948638032	-1.496550765	 0.121232
+H	 1.2561605424	-0.1361215045	-2.3261987784	 0.123863
+H	 2.7896665598	-0.6140626468	-1.5861959422	 0.117071
+H	 0.2075064812	 0.0634908296	 0.0024276426	 0.09416
+H	 2.895261472	 1.5694267218	-0.1432956543	 0.086567
+H	 2.5217736818	 2.5937139611	 2.6136856818	 0.109588
+H	 0.8209280487	 3.1041377032	 2.7411796691	 0.111378
+H	 0.3568394616	 1.0176011709	 3.8524338029	 0.095795
+H	 0.9013437977	-1.1460699782	 2.6435881833	 0.096275
+H	 3.0585435353	-0.6945452832	 0.969396671	 0.098579
+19
+0 3401	3.0724271	1.3801762	1.1443454	2.4846	73.98	-0.25094	0.07952	0.33046	1103.2017	0.15869	-422.539746	-422.532015	-422.531071	-422.571569	30.64
+O	 0.2659569319	-0.0237924967	 0.1983456616	-0.428166
+C	-0.4581710613	 0.6565872555	 1.1824790554	 0.073607
+C	-1.6377752343	-0.0231987508	 1.8305430412	-0.079465
+C	-2.8699802292	 0.7132329146	 2.331367263	-0.228369
+C	-2.5652390069	 2.0783150424	 2.9676897795	-0.25586
+C	-1.3857411417	 2.0408672449	 3.9182867631	 0.06795
+O	-1.2603098844	 0.9006528585	 4.7703712957	-0.264556
+C	-0.2881170974	 1.0828405623	 3.7201758976	 0.030282
+C	-0.32958254	 0.1173119418	 2.5841545094	-0.075149
+H	-0.2612407101	-0.0300814589	-0.607586564	 0.286052
+H	-0.4772243774	 1.7407132446	 1.0682879851	 0.083421
+H	-1.8285458663	-1.0205954479	 1.443468445	 0.088557
+H	-3.5901709839	 0.8466362769	 1.5150496219	 0.093771
+H	-3.3577386858	 0.0809212435	 3.0811630976	 0.12082
+H	-2.3476559933	 2.8279155431	 2.1952023245	 0.105219
+H	-3.452598007	 2.4409036572	 3.4998650168	 0.1073
+H	-1.1560129615	 2.9885432746	 4.4087928548	 0.084937
+H	 0.7025227334	 1.3499159441	 4.0885836605	 0.091645
+H	 0.2827863352	-0.7731940799	 2.6854739314	 0.098006
+19
+0 3402	3.1435944	1.3974456	1.1592131	0.887	74.28	-0.23101	0.08077	0.31178	1093.3872	0.15859	-422.524024	-422.516333	-422.515389	-422.555764	30.784
+O	 0.3984654906	-0.0987509304	 0.3548704447	-0.430967
+C	-0.7419250457	 0.6576962955	 0.6438930618	 0.083566
+C	-2.1032050751	 0.0592765436	 0.395524233	-0.104153
+C	-3.2964006093	 0.4145827404	 1.2633197489	-0.117547
+O	-3.3304112835	 1.7791820474	 1.6432416315	-0.257094
+C	-3.1568764087	 2.715018645	 0.6131150966	 0.133381
+C	-3.6907604614	 2.5532480668	-0.7841871398	-0.34527
+C	-2.1889325113	 2.4670420912	-0.5100259836	-0.082266
+C	-1.5452253702	 1.1172411749	-0.5425202293	-0.069307
+H	 0.5176395548	-0.7396437932	 1.063709104	 0.284858
+H	-0.6454814192	 1.3567989748	 1.4744137633	 0.096897
+H	-2.1028334	-0.9606683348	 0.0210504389	 0.088756
+H	-4.2271498324	 0.1389808358	 0.7417526435	 0.09581
+H	-3.2757474934	-0.143499289	 2.2058726436	 0.108112
+H	-3.1973939765	 3.7076610938	 1.0478082338	 0.101119
+H	-4.1885052364	 1.6308657479	-1.0596732265	 0.119703
+H	-4.0859591078	 3.436049455	-1.2749283966	 0.111663
+H	-1.5685623691	 3.2985489001	-0.8332196237	 0.088248
+H	-1.1843081358	 0.7657190753	-1.5050372542	 0.094493
+19
+0 3403	3.1198356	1.4096797	1.1621656	1.1149	74.24	-0.22086	0.07825	0.29911	1092.5003	0.158613	-422.523248	-422.51553	-422.514586	-422.555017	30.784
+O	 0.4158159786	-0.1397568564	 0.4489554666	-0.428973
+C	-0.6416616104	 0.6517602646	 0.9100109952	 0.021431
+C	-1.4246198707	 0.1773770482	 2.1090959067	 0.059143
+O	-2.7990620579	 0.3657542711	 2.3073723651	-0.256548
+C	-3.3297291344	 1.6037120345	 1.8621786261	-0.108552
+C	-2.5276658071	 2.8124276349	 2.308194559	-0.032331
+C	-1.9302759929	 2.8815808978	 3.6873084554	-0.29473
+C	-1.0320657309	 2.6713627055	 2.4831216142	-0.048859
+C	-0.4434945949	 1.3146733021	 2.2602848356	-0.098722
+H	 0.040957481	-0.8972498793	-0.0133715852	 0.286308
+H	-1.1458400617	 1.2475655104	 0.1497359747	 0.089968
+H	-1.1343529773	-0.7907167759	 2.503649897	 0.104283
+H	-3.4171869443	 1.6072449431	 0.7636047441	 0.093101
+H	-4.3457601165	 1.6417768163	 2.269181953	 0.111436
+H	-2.8869720127	 3.7440181522	 1.8796804742	 0.085822
+H	-1.9068159528	 3.8435117989	 4.1872961888	 0.108874
+H	-2.0826543648	 2.0311241637	 4.3429640781	 0.125489
+H	-0.4162670036	 3.5121286904	 2.175305369	 0.086022
+H	 0.4920406934	 1.0902932279	 2.7649940925	 0.096839
+19
+0 3404	2.2250308	1.6157876	1.0054518	0.4818	78.17	-0.22765	0.01825	0.24589999999999998	1189.9421	0.156528	-422.541835	-422.533154	-422.53221	-422.57483	32.903
+C	 1.4059375678	 0.7642318316	-0.2742438068	-0.479524
+C	 0.0908266078	 0.048099888	-0.1535121556	 0.301648
+C	-0.0426290014	-1.2796364915	-0.1700284062	-0.173238
+C	-1.3946995151	-1.9403774884	-0.0718836999	-0.121497
+O	-2.4491089011	-1.1465320305	-0.6097979248	-0.259927
+C	-2.4622319681	 0.1797971823	-0.1754302116	 0.028732
+C	-2.0181401317	 1.2281188066	-1.1664991034	 0.046437
+O	-2.5868633014	 2.5015398096	-1.1382541693	-0.423069
+C	-1.1359310606	 0.875348917	 0.0110308271	-0.174905
+H	 1.5962940085	 1.3906476755	 0.6065393625	 0.1248
+H	 2.2378299403	 0.062732404	-0.3808402481	 0.119427
+H	 1.4083893527	 1.43766867	-1.1402003974	 0.131303
+H	 0.8236196388	-1.9300518099	-0.2580737795	 0.085855
+H	-1.4098600284	-2.8705530989	-0.6490493126	 0.114105
+H	-1.6162392148	-2.209251076	 0.9754200246	 0.101248
+H	-3.2796636242	 0.4344160187	 0.4980979134	 0.089937
+H	-1.7107578483	 0.8505734122	-2.1419387124	 0.096176
+H	-3.4609978926	 2.4448346797	-1.5398327017	 0.2894
+H	-1.1025310183	 1.6450740202	 0.7780634519	 0.103092
+19
+0 3405	2.8060907	1.4533823	1.1544504	0.6402	77.44	-0.23143	0.01319	0.24462	1112.3218	0.156428	-422.539754	-422.531053	-422.530108	-422.572551	33.153
+C	 1.9164703918	-0.6457114609	-2.5600475601	-0.460417
+C	 0.7251716701	-1.1282476862	-1.753080949	 0.227049
+C	 0.4614145742	-2.590850884	-1.8026023519	-0.135093
+C	-0.7467008844	-3.0539507414	-2.1158877335	-0.081093
+C	-1.8955291905	-2.1083197207	-2.359809595	-0.121244
+O	-1.7764709671	-0.8887301626	-1.6354624234	-0.260151
+C	-0.5227692736	-0.2742039022	-1.7015459659	-0.01237
+C	 0.3622827937	-0.3756836674	-0.4803701018	 0.021532
+O	 1.1836353252	 0.6904819736	-0.1130084113	-0.421142
+H	 2.8307654491	-1.1573948026	-2.2381982577	 0.119044
+H	 1.7736152695	-0.8520759481	-3.625856423	 0.115326
+H	 2.0742970133	 0.4254542288	-2.4233233731	 0.132853
+H	 1.2942942881	-3.2624560391	-1.6079834473	 0.090921
+H	-0.9455235146	-4.1180188965	-2.2028626957	 0.095649
+H	-1.9984663953	-1.9060464583	-3.4399782459	 0.102877
+H	-2.8389180635	-2.5535655904	-2.0278009974	 0.115562
+H	-0.5124781335	 0.6683886101	-2.2495224132	 0.08659
+H	-0.0402347655	-0.9745146404	 0.3366634378	 0.093428
+H	 0.621579433	 1.3912735784	 0.2347643173	 0.290679
+19
+0 3406	2.8563704	1.4547045	1.1481718	1.7151	77.91	-0.22852	0.00423	0.23275	1121.7417	0.1564	-422.539878	-422.531198	-422.530254	-422.572676	33.153
+C	 0.817149192	-0.6020631297	-0.7529494473	-0.417342
+C	 0.9149759458	 0.2699758451	 0.4778936229	-0.06995
+C	 1.9697560033	 1.3516162911	 0.5936409993	-0.01196
+O	 1.588756381	 2.5619461998	 1.1878836738	-0.258536
+C	 2.0889056066	 2.7745225623	 2.4999592231	-0.120436
+C	 1.9297803466	 1.5774203556	 3.4070089037	-0.076522
+C	 1.8848646468	 0.3418312284	 2.9120823733	-0.156975
+C	 2.0648220448	 0.1179598174	 1.4555399584	 0.325383
+O	 2.9979591304	-0.8760888294	 1.1154718218	-0.461155
+H	 0.3054067801	-1.5437214689	-0.5281508156	 0.120552
+H	 0.2539716719	-0.0921494309	-1.5419672824	 0.116678
+H	 1.8074820357	-0.8511344257	-1.1391117905	 0.131184
+H	-0.0281336139	 0.543616816	 0.9425990382	 0.096207
+H	 2.6846338791	 1.453452469	-0.2224187948	 0.088509
+H	 3.1503724685	 3.080525379	 2.4703438068	 0.099077
+H	 1.5266034814	 3.6278727252	 2.8928948881	 0.118407
+H	 1.8523941013	 1.7683069958	 4.4736791957	 0.09887
+H	 1.762486535	-0.5333856873	 3.5445216904	 0.097642
+H	 3.8550216935	-0.6027095428	 1.4618204953	 0.280367
+19
+0 3407	2.910063	1.3966461	1.1175957	2.7802	77.11	-0.22701	0.00736	0.23437	1127.6275	0.157495	-422.554667	-422.54627	-422.545326	-422.587076	33.002
+O	 0.3860481407	-0.2111997176	 0.4342277917	-0.444421
+C	-0.7220653149	 0.5148783922	 0.8482643199	 0.097584
+C	-1.5458277609	 0.060575238	 2.0430137675	-0.174584
+C	-3.0523334315	 0.3090688425	 2.0748572972	-0.232734
+C	-3.443389149	 1.5050333892	 2.965407359	-0.258712
+C	-2.5487206471	 2.702799984	 2.7422284386	-0.052352
+C	-1.2733858511	 2.5924833655	 2.3648634617	-0.15074
+C	-0.6360667755	 1.273317647	 2.15130517	 0.323669
+O	 0.6321618522	 1.1077739941	 2.7497543011	-0.48031
+H	 1.0568259293	-0.0864831796	 1.1203399241	 0.293537
+H	-1.2573439813	 0.973224159	 0.0199859339	 0.100709
+H	-1.1746061133	-0.8394351162	 2.5249326961	 0.085136
+H	-3.4096749236	 0.5084292568	 1.0570330047	 0.106674
+H	-3.5717506201	-0.5943102291	 2.4104863024	 0.101157
+H	-4.4878205926	 1.7792465335	 2.7795129735	 0.103303
+H	-3.3995659861	 1.2162793019	 4.0262685377	 0.108957
+H	-2.9778648352	 3.6875720212	 2.9090757137	 0.092088
+H	-0.6461304845	 3.4686477928	 2.2211122113	 0.093089
+H	 0.5078633346	 0.9805256247	 3.6963730358	 0.287951
+19
+0 3408	3.2607708	1.2860481	1.0000174	1.9156	76.93	-0.23139	0.02035	0.25174	1189.0984	0.157695	-422.532645	-422.524485	-422.523541	-422.565018	31.728
+O	 0.4098989875	 0.0273188278	 0.2613595402	-0.428088
+C	-0.7749173836	 0.6928964758	 0.5810896416	 0.028311
+C	-2.111156771	-0.0234102258	 0.4735314707	-0.107043
+C	-3.2611029773	 0.3524711229	 1.3967359637	-0.284713
+C	-4.5473064367	 0.6743658981	 0.6610440187	-0.068784
+C	-4.6703315309	 1.4470196795	-0.4179254326	-0.03209
+C	-3.5997450514	 2.2026212693	-1.1615530951	-0.128738
+O	-2.3197816789	 2.2352293272	-0.5492719161	-0.247844
+C	-1.6835555534	 0.9963648965	-0.5599264775	 0.095716
+H	 0.6143202761	-0.575756693	 0.9838504317	 0.286423
+H	-0.6984341245	 1.4637793667	 1.3489359269	 0.095811
+H	-2.0690611973	-1.0603725188	 0.1520996722	 0.08973
+H	-3.4419232189	-0.4645398287	 2.1034593658	 0.099522
+H	-2.9718409138	 1.2160134047	 2.0083532399	 0.12044
+H	-5.454277478	 0.2355706473	 1.071078993	 0.086146
+H	-5.662730245	 1.5844956012	-0.846677373	 0.086019
+H	-3.5181074222	 1.8060181019	-2.1897737751	 0.099417
+H	-3.9044326	 3.2520889813	-1.2617402298	 0.117113
+H	-1.3767655506	 0.635984416	-1.5425430152	 0.092651
+19
+0 3409	2.3564794	1.5530396	1.084469	4.8543	76.24	-0.25267	0.01536	0.26803	1156.7445	0.158565	-422.592377	-422.58421	-422.583265	-422.624995	31.08
+C	-1.1389971327	-3.340730491	-1.4737162434	-0.423441
+C	-1.1225362356	-1.8309629369	-1.3857174641	-0.021172
+C	-2.2602714705	-1.0911905481	-0.750410291	-0.049178
+C	-2.6414672544	 0.2974854475	-1.2142226351	-0.250263
+C	-1.4088433913	 1.1131190871	-1.5964372422	-0.077461
+O	-0.4008018877	 1.139957832	-0.576452927	-0.23792
+C	-0.114684288	 0.0434784199	 0.1788174174	 0.422529
+O	 0.7621562037	 0.1205159847	 0.998238586	-0.341757
+C	-0.9350150108	-1.1853728339	-0.0153738778	-0.173723
+H	-1.653363904	-3.7803962747	-0.6130412854	 0.121249
+H	-1.6586724999	-3.6739143027	-2.3786831851	 0.1233
+H	-0.1229855251	-3.7475840123	-1.4996162607	 0.131002
+H	-0.6185740209	-1.3448409594	-2.2152609268	 0.096853
+H	-3.0710968202	-1.6951210091	-0.3531437729	 0.094202
+H	-3.3125014794	 0.260240535	-2.0808874053	 0.111591
+H	-3.1794318698	 0.812591323	-0.4095142861	 0.119556
+H	-0.9638124314	 0.7392976366	-2.5263973379	 0.116533
+H	-1.6734966797	 2.1601566351	-1.762021675	 0.124681
+H	-0.8379584824	-1.8655418828	 0.8221254823	 0.113419
+19
+0 3410	2.3109754	1.5673764	1.0838407	2.9971	76.77	-0.23033	-0.01482	0.21551	1156.8286	0.157618	-422.568493	-422.560207	-422.559263	-422.601282	31.463
+C	-1.1621021596	-3.3296020251	-1.4823722088	-0.418967
+C	-1.233932132	-1.8341953987	-1.2743619405	-0.015369
+C	-2.3089815495	-1.2148512996	-0.4460643192	-0.065131
+C	-2.8070404732	 0.1650902133	-0.8300870257	-0.114121
+O	-1.7613435001	 0.9498156594	-1.3800519194	-0.243439
+C	-0.7311997986	 1.2249507869	-0.4502265354	-0.18436
+C	-0.1532665369	 0.0010080938	 0.2690414129	 0.358098
+O	 0.8167966694	 0.1223846013	 0.984910206	-0.326787
+C	-0.8912144715	-1.2771056704	 0.1139410607	-0.148693
+H	-1.5246194261	-3.8711302323	-0.6025192851	 0.118851
+H	-1.7760817154	-3.6329484956	-2.3374629072	 0.124464
+H	-0.1345346693	-3.6543535661	-1.6755018679	 0.129444
+H	-0.8928710941	-1.2319780884	-2.1104360351	 0.112572
+H	-3.0436756002	-1.8682364206	 0.0167318612	 0.094323
+H	-3.5740859672	 0.1014473907	-1.6086717756	 0.11698
+H	-3.2515925883	 0.6710932645	 0.0436791097	 0.095798
+H	 0.0693059192	 1.7303511128	-0.9967196288	 0.14123
+H	-1.0804053021	 1.9153732947	 0.3371601347	 0.121704
+H	-0.6527507647	-2.0132515807	 0.8742113336	 0.103403
+19
+0 3411	2.3419611	1.5595347	1.0408688	2.0763	77.01	-0.23597	-0.01426	0.22171000000000002	1175.6515	0.157293	-422.566534	-422.558161	-422.557217	-422.59949	31.66
+C	-2.2151505723	-3.0642403758	 1.2388447304	-0.418575
+C	-2.0335047952	-1.6103076755	 0.8708809618	-0.042884
+C	-2.2844885247	-1.1041344681	-0.5096947211	 0.076151
+O	-2.8623768144	 0.1630581861	-0.6307036515	-0.257748
+C	-1.9517360601	 1.2080917669	-0.9396592179	-0.086354
+C	-0.8777912525	 1.3257820315	 0.1508736406	-0.319136
+C	-0.0695429587	 0.0358305019	 0.2154879802	 0.387868
+O	 1.1320712015	 0.0261750279	 0.3716708652	-0.329932
+C	-0.8465880299	-1.2133964616	-0.0223232252	-0.173129
+H	-1.5479228887	-3.3529924636	 2.0574096608	 0.131121
+H	-3.2451187662	-3.2586102071	 1.5565539743	 0.127942
+H	-1.998688977	-3.7175300932	 0.3875432051	 0.12108
+H	-2.2843186571	-0.8946552334	 1.6487428366	 0.102161
+H	-2.6061641526	-1.8047174766	-1.2784009234	 0.100471
+H	-1.4820415767	 1.0403963482	-1.9208448336	 0.103039
+H	-2.5517477849	 2.1195457466	-1.0038701991	 0.117592
+H	-0.1890648614	 2.1544972079	-0.033344375	 0.124546
+H	-1.3756241727	 1.5040380849	 1.1121708774	 0.128246
+H	-0.2418749564	-2.0373352871	-0.3865021857	 0.107542
+19
+0 3412	2.2811391	1.5289697	1.0277864	2.386	76.16	-0.23165	-0.0085	0.22315	1173.0124	0.158032	-422.578546	-422.57029	-422.569345	-422.611316	31.802
+O	-2.2622732409	-3.0351850688	-0.9578808067	-0.423887
+C	-2.0398329483	-1.6822331496	-0.7228967763	 0.095578
+C	-2.3885379246	-1.1669522776	 0.6241317623	-0.066405
+C	-3.0053255466	 0.2239561697	 0.7865516998	-0.232125
+C	-1.9585986339	 1.3426868657	 0.9028004342	-0.201962
+C	-0.8800249124	 1.2232093919	-0.1898541773	-0.311833
+C	-0.0965199222	-0.0725701735	-0.0197854845	 0.39834
+O	 1.1161966945	-0.1056631568	-0.0469390749	-0.339417
+C	-0.907948757	-1.29255379	 0.2346652509	-0.183851
+H	-1.5809139924	-3.3536484211	-1.5601159342	 0.292843
+H	-2.2190166392	-1.0251533514	-1.5751909613	 0.091817
+H	-2.7272500643	-1.9324498572	 1.3143524205	 0.10892
+H	-3.6633651033	 0.4320280469	-0.0666227861	 0.105977
+H	-3.6453118866	 0.2301086602	 1.6741456351	 0.109122
+H	-2.4476352209	 2.3207122821	 0.8445757288	 0.103047
+H	-1.4732681647	 1.2927702277	 1.8853609537	 0.111841
+H	-1.3587312509	 1.2327782692	-1.1797341631	 0.112775
+H	-0.1665986028	 2.0499921933	-0.1626374656	 0.121236
+H	-0.3491704737	-2.1305423106	 0.6361151648	 0.107985
+19
+0 3413	2.5796202	1.4781696	1.1700683	3.0556	76.72	-0.23604	-0.02493	0.21111	1120.0343	0.156432	-422.558538	-422.549881	-422.548936	-422.591553	32.211
+C	-0.1417116345	-0.013690738	-0.1001520883	-0.435297
+C	 1.3677282905	 0.0469513825	-0.1589234248	-0.072601
+C	 2.1088182877	 1.2791900833	 0.2838528327	-0.113061
+C	 3.503949758	 1.5364585806	-0.2596383116	-0.252132
+C	 4.2120719686	 0.17285887	-0.0841025951	-0.098582
+O	 3.5355227304	-0.5200635542	 0.9679582125	-0.304486
+C	 2.2387991823	 0.0038899123	 1.1011356154	 0.319853
+C	 1.7031205018	-0.1435886432	 2.4710187918	 0.085245
+O	 0.6551486782	 0.3148615244	 2.8646280183	-0.275345
+H	-0.5223530985	 0.4867149132	 0.7913601625	 0.156647
+H	-0.5726686358	 0.4662550334	-0.9858839498	 0.11655
+H	-0.491223927	-1.0509143498	-0.0772321097	 0.121959
+H	 1.8105584318	-0.5043503944	-0.9856399711	 0.095741
+H	 1.5306328059	 2.0999771082	 0.693920033	 0.112213
+H	 3.515592616	 1.8614204782	-1.3042716336	 0.113185
+H	 3.9897049519	 2.3130094545	 0.3393782515	 0.116864
+H	 4.1598426266	-0.4153525439	-1.0097070357	 0.106339
+H	 5.2654403889	 0.2636831875	 0.1950378086	 0.116203
+H	 2.3758887272	-0.7254389546	 3.1371808435	 0.090705
+19
+0 3414	2.0501876	1.6841342	1.0984286	3.2139	76.96	-0.24727	-0.02313	0.22413999999999998	1147.1532	0.157001	-422.562181	-422.553626	-422.552682	-422.595224	31.807
+C	 1.061613811	 1.1569495669	 0.0489100726	-0.433798
+C	 1.0073686795	-0.3507437426	 0.1732749786	-0.046453
+C	 1.5883527311	-1.2310838299	-0.8799747182	-0.125448
+C	 1.0282756623	-2.6388760284	-0.9992806322	-0.09803
+O	 0.8798003744	-3.1067370512	 0.3343437908	-0.255906
+C	 1.937860676	-2.5581057284	 1.1191718873	-0.151221
+C	 2.240331686	-1.1949840986	 0.511962658	 0.202771
+C	 3.5699013462	-0.6014427265	 0.7323990727	 0.070349
+O	 4.4241124994	-1.1037079876	 1.4269706519	-0.273514
+H	 1.0968467974	 1.6404704032	 1.0304866193	 0.130649
+H	 1.9291708242	 1.4967657916	-0.5235700338	 0.123286
+H	 0.1677219631	 1.5195570727	-0.4693682879	 0.128502
+H	 0.1057046178	-0.7308972613	 0.6492672577	 0.110934
+H	 2.0916196354	-0.7855104359	-1.7315450681	 0.100281
+H	 0.0423178022	-2.6849778634	-1.473474596	 0.115149
+H	 1.7225909303	-3.27074613	-1.5764023951	 0.099472
+H	 1.5867178164	-2.5176760884	 2.1542760198	 0.11718
+H	 2.8425136327	-3.1808490178	 1.0826493747	 0.115845
+H	 3.7590922947	 0.3600031159	 0.2073548278	 0.069951
+19
+0 3415	2.0425068	1.68605	1.0961993	2.7079	77.	-0.23676	-0.01747	0.21928999999999998	1149.9604	0.156828	-422.557927	-422.549327	-422.548383	-422.591021	32.02
+C	 1.0253919333	-0.5222039414	-0.9424339157	-0.429874
+C	 1.0290002921	 0.0799720537	 0.4473383432	-0.111226
+C	 1.7216545987	 1.3761203313	 0.6990926538	 0.074709
+O	 1.2977029754	 2.2429321421	 1.7001275969	-0.248912
+C	 1.1197046168	 1.491320625	 2.9063855276	-0.099949
+C	 2.0667729718	 0.2742659343	 2.8195383758	-0.308243
+C	 2.2951506059	 0.0910594181	 1.3267188514	 0.188821
+C	 3.5800881472	-0.4668985061	 0.8723934881	 0.071262
+O	 4.4743315438	-0.8060454339	 1.6144764764	-0.274968
+H	 1.0393380437	-1.6165529562	-0.9096761314	 0.130009
+H	 0.1234286356	-0.2119106875	-1.479764778	 0.129945
+H	 1.8850222311	-0.1966244458	-1.5352919875	 0.125308
+H	 0.1165672597	-0.098001676	 1.0109461343	 0.099826
+H	 2.2189817238	 1.8933556325	-0.1147306971	 0.112887
+H	 1.3402485793	 2.1575979232	 3.7438686867	 0.120053
+H	 0.0723329179	 1.1733804116	 2.9956800966	 0.104422
+H	 3.0328299997	 0.4704522548	 3.2912234837	 0.136386
+H	 1.6340723755	-0.6067642374	 3.301902276	 0.112718
+H	 3.7005216588	-0.5488076622	-0.2295780209	 0.066825
+19
+0 3416	2.0843323	1.6464048	1.1026836	4.339	76.46	-0.23844	-0.01155	0.22689	1141.4842	0.157335	-422.571252	-422.562737	-422.561792	-422.604136	32.286
+O	-0.6799781792	 1.4220442644	 0.016897798	-0.426895
+C	-0.688629461	 0.0669108096	 0.3613547289	 0.048236
+C	-0.8214046467	-0.3042729524	 1.8026165038	-0.13677
+C	-0.3861480766	-1.6861482018	 2.2650016903	-0.222395
+C	-0.9580173162	-2.6636353735	 1.2108390308	-0.233067
+C	-2.2382769949	-1.9884877858	 0.6658258689	-0.278953
+C	-2.0172777302	-0.4921954185	 0.8354791824	 0.21913
+C	-3.19050749	 0.4014980821	 0.9477559749	 0.080091
+O	-4.3346875307	 0.0072132462	 0.9362522851	-0.279334
+H	 0.1554173849	 1.7987119301	 0.3130262601	 0.291512
+H	-0.102431415	-0.5715756226	-0.3011456319	 0.094129
+H	-0.8461713288	 0.518180159	 2.5107906583	 0.096976
+H	 0.700683408	-1.7773236587	 2.3690505446	 0.102409
+H	-0.8216363947	-1.8818749054	 3.2514220572	 0.111568
+H	-0.2326087835	-2.8067444679	 0.4034739685	 0.106815
+H	-1.1561143039	-3.6537663094	 1.6288246281	 0.106037
+H	-2.4450307679	-2.2684222883	-0.3718391202	 0.107801
+H	-3.1213929565	-2.263636472	 1.2505688442	 0.125965
+H	-2.9517294371	 1.4775973148	 1.0598947281	 0.086746
+19
+0 3417	2.21318	1.6966835	1.4392003	3.3709	74.88	-0.22256	-0.01906	0.20350000000000001	1030.5468	0.157916	-422.556101	-422.548017	-422.547073	-422.5884	30.979
+C	-1.6188898924	-0.0933449773	-2.2217753907	-0.431368
+C	-1.824362541	-0.0252940611	-0.7118289865	-0.028982
+C	-1.0539172822	 1.1468330621	-0.009320499	-0.145669
+C	-1.5566712587	 1.2992021195	 1.4481262855	-0.25204
+C	-2.023886488	-0.0731019041	 1.9793600594	-0.069526
+O	-1.2885496719	-1.1724357397	 1.4384462803	-0.282319
+C	-0.8867311377	-0.9931597886	 0.0804375675	 0.01419
+C	 0.1373083406	 0.1713732192	 0.0482794791	 0.418245
+O	 1.3269484961	 0.2743936248	-0.0015731979	-0.320108
+H	-2.0211707705	-1.0256290302	-2.6309264778	 0.124042
+H	-2.1221321072	 0.7404358764	-2.7217084301	 0.12328
+H	-0.5567636659	-0.043610261	-2.4880875959	 0.134128
+H	-2.8848385912	-0.1057762992	-0.4634930151	 0.081427
+H	-0.9317811048	 2.1039090518	-0.5208032457	 0.085307
+H	-0.752443855	 1.709973655	 2.06731463	 0.125385
+H	-2.3931142072	 2.0059898155	 1.4922063854	 0.109383
+H	-1.9063598273	-0.1393152281	 3.0643018549	 0.117254
+H	-3.0918722185	-0.2074374933	 1.7606285563	 0.103476
+H	-0.6380999174	-1.9757326917	-0.3246797099	 0.093896
+19
+0 3418	2.2071661	1.7082946	1.4170449	2.1826	75.16	-0.2377	-0.01451	0.22319	1030.43	0.158093	-422.563138	-422.555161	-422.554217	-422.595358	30.649
+C	-1.6585235428	-0.0180919922	-2.2906627897	-0.429683
+C	-1.8870704929	-0.0216137252	-0.784176436	 0.019241
+C	-1.093380338	 1.0797679675	-0.0011048878	-0.16938
+C	-1.6897651462	 1.1899777257	 1.428055939	-0.09822
+O	-2.2997290616	-0.0283276334	 1.8206640763	-0.246564
+C	-1.6036866331	-1.2020651934	 1.4355274164	-0.098219
+C	-1.0164450279	-1.0581930936	 0.0055727002	-0.169382
+C	 0.0369173114	 0.0503304691	 0.0832414969	 0.428171
+O	 1.232867866	 0.093497973	 0.1251918586	-0.33021
+H	-2.0750937549	-0.9198481441	-2.7514368086	 0.120766
+H	-2.1386258774	 0.8485654374	-2.7569405181	 0.120766
+H	-0.5918581658	 0.0194558274	-2.5395251389	 0.129659
+H	-2.9513711588	-0.059158449	-0.5420590835	 0.089991
+H	-0.9053466392	 2.0606083855	-0.4425707209	 0.087857
+H	-0.90424227	 1.4934856381	 2.1375759866	 0.110124
+H	-2.483208017	 1.9436719378	 1.455643859	 0.118553
+H	-0.7985391948	-1.4438943124	 2.1467505049	 0.110124
+H	-2.3409099827	-2.0106535708	 1.4679960631	 0.118553
+H	-0.7582996142	-2.0257165371	-0.4298073075	 0.087857
+19
+0 3419	2.1754473	1.6726743	1.4350179	3.7259	74.46	-0.23048	-0.00749	0.22299	1028.4452	0.15864	-422.575027	-422.567063	-422.566119	-422.607149	31.055
+O	-1.556963781	 0.0376434211	-2.1035694502	-0.446114
+C	-1.8504738664	-0.0314430435	-0.7233538319	 0.125033
+C	-1.0176509812	 1.0652972495	-0.0007502061	-0.140061
+C	-1.5220122853	 1.2874972464	 1.447651768	-0.232301
+C	-2.14911721	-0.0070701383	 2.0190705233	-0.204365
+C	-1.4815339944	-1.2966920394	 1.4824696595	-0.229012
+C	-0.9843426696	-1.0961098724	 0.0273412938	-0.182408
+C	 0.0921306876	 0.0028488209	 0.0721840631	 0.441496
+O	 1.2864349325	 0.020036402	 0.1248401723	-0.326537
+H	-1.8262333361	-0.7915720038	-2.5121251506	 0.28431
+H	-2.930595273	-0.0459591859	-0.5377509223	 0.067914
+H	-0.8268025014	 1.9939301176	-0.5403225006	 0.09575
+H	-0.6774243402	 1.6206702361	 2.0609232855	 0.120854
+H	-2.2608375039	 2.0955919528	 1.4664176237	 0.106945
+H	-2.1227082893	 0.0074653038	 3.1125918417	 0.104298
+H	-3.2089395057	-0.0269813534	 1.7458405165	 0.111045
+H	-0.6274811146	-1.5870824231	 2.1045096001	 0.121252
+H	-2.1947921419	-2.1269334024	 1.5243318732	 0.103722
+H	-0.7588432762	-2.0380973779	-0.4787657291	 0.078177
+19
+0 3420	2.293849	1.9428894	1.8287953	1.7021	73.83	-0.25352	-0.00921	0.24431000000000003	913.4033	0.159478	-422.560555	-422.553199	-422.552255	-422.591867	29.553
+C	 1.7531862586	-3.0225299581	 0.1347760877	-0.411745
+C	 1.4696033165	-1.5272314402	 0.0679596649	 0.007351
+C	 2.0587806047	-0.7698822921	-1.1461314636	 0.062846
+O	 3.4657458542	-1.0811801129	-1.2144461228	-0.277838
+C	 4.1770477329	-0.6435938581	-0.0727358246	 0.029663
+O	 3.5491495948	-0.9595036302	 1.1547994922	-0.27784
+C	 2.1397495123	-0.651734737	 1.1538105731	 0.062859
+C	 1.8872959559	 0.7499112112	 0.6049447437	-0.096886
+C	 1.8403853633	 0.6814739159	-0.727246801	-0.096873
+H	 1.3474212773	-3.4509942392	 1.0575873079	 0.109103
+H	 1.2828975091	-3.542039371	-0.7070922106	 0.109084
+H	 2.8235870471	-3.2278706878	 0.1062360079	 0.137746
+H	 0.3893949641	-1.3470269828	 0.096744569	 0.074383
+H	 1.6498572395	-1.046032069	-2.1194667209	 0.075156
+H	 5.1342347964	-1.1698907547	-0.0794082839	 0.116172
+H	 4.3475091365	 0.4406804651	-0.1344283509	 0.090621
+H	 1.80107029	-0.8253547837	 2.1765582241	 0.075154
+H	 1.8504495093	 1.6441192894	 1.2149797777	 0.105522
+H	 1.7576119874	 1.5086753251	-1.4215054399	 0.105521
+19
+0 3421	2.2060508	1.954868	1.8377391	2.0211	73.92	-0.24359	-0.00164	0.24195	908.3808	0.160645	-422.572315	-422.565338	-422.564394	-422.603075	29.239
+O	 0.3852120705	-0.0900286867	 0.2399909333	-0.450173
+C	-0.7614680984	 0.7180973037	 0.1979619056	 0.151061
+C	-2.1356343554	-0.0234120257	 0.276137442	-0.096963
+C	-2.0393902478	-1.00305981	 1.4682078169	-0.231481
+C	-1.6996233128	-0.239316973	 2.7651133348	-0.07201
+O	-0.694386221	 0.7689614991	 2.5877372841	-0.298621
+C	-0.9210916119	 1.6194916393	 1.4387444461	 0.030926
+C	-2.3568384626	 2.0771711385	 1.2883164459	-0.09996
+C	-3.0400208469	 1.1474414243	 0.6130286099	-0.073589
+H	 0.5902964076	-0.2047393439	 1.1785484078	 0.285946
+H	-0.718461719	 1.3197039966	-0.7148995637	 0.083959
+H	-2.4023301885	-0.5506048975	-0.6432634403	 0.068322
+H	-2.9752025446	-1.5533887157	 1.6166341734	 0.096933
+H	-1.2589109478	-1.7360928324	 1.2393497266	 0.112684
+H	-2.6083276509	 0.222421148	 3.1700438442	 0.102973
+H	-1.3016285047	-0.9143164485	 3.5278326483	 0.107962
+H	-0.1771008991	 2.4134139501	 1.5272768475	 0.080173
+H	-2.7490482061	 2.9956951744	 1.7066351879	 0.100897
+H	-4.0961426906	 1.1836291894	 0.3696761895	 0.10096
+19
+0 3422	2.6617646	1.6707856	1.5917224	0.8803	74.43	-0.24204	0.00578	0.24782	951.264	0.159996	-422.569384	-422.562207	-422.561263	-422.600382	29.551
+O	 0.6907158656	 0.4698849611	 0.1801454539	-0.458508
+C	-0.660415029	 0.8533771619	 0.3124612857	 0.15441
+C	-1.5726568837	-0.2373546799	 0.9212678839	-0.109531
+C	-2.9154305339	 0.4464646582	 1.281028869	-0.081649
+O	-3.5682877818	 0.9749798468	 0.1365594601	-0.243191
+C	-2.7400880762	 1.7527763862	-0.7146021982	-0.08165
+C	-1.4009948494	 1.0415023946	-1.0324098744	-0.109528
+C	-1.6737697404	-0.4115995781	-1.4049857004	-0.082424
+C	-1.7717082916	-1.1411745355	-0.2904323255	-0.082431
+H	 0.7012608088	-0.3380108526	-0.3477085086	 0.27495
+H	-0.645097077	 1.7684749678	 0.912820718	 0.078334
+H	-1.1401218398	-0.7179891564	 1.8030957906	 0.072182
+H	-3.6209813937	-0.2661407476	 1.7188251923	 0.109802
+H	-2.728401283	 1.2398119465	 2.0245151978	 0.089825
+H	-3.3274085962	 1.9209511315	-1.6223723519	 0.109802
+H	-2.527648049	 2.7354915739	-0.2604081999	 0.089825
+H	-0.8267145784	 1.6168515942	-1.7637721748	 0.072182
+H	-1.8405566982	-0.7583998672	-2.4178286299	 0.098799
+H	-2.0328613932	-2.1909409253	-0.2293691677	 0.0988
+19
+0 3423	2.6196691	1.5500552	1.1347191	3.5644	74.93	-0.22507	-0.03306	0.19201	1114.8178	0.157199	-422.568114	-422.559722	-422.558777	-422.6019	31.051
+C	-0.9540019953	 1.9418901234	 1.3086618031	-0.410585
+C	-1.0324077195	 1.0254910846	 0.0888934176	-0.117559
+C	-2.1963686559	-0.0180788776	 0.0217932128	-0.063661
+C	-2.9259446198	-0.1526198759	-1.32181929	-0.237638
+C	-1.9392956176	-0.9801990884	-2.1642160351	-0.09238
+O	-1.3165635085	-1.8795980527	-1.2476465456	-0.249783
+C	-1.1744009676	-1.2082815519	-0.0136363978	-0.010076
+C	-0.0313305145	-0.1486231841	 0.0747247335	 0.379846
+O	 1.1602172717	-0.2146943883	 0.1530436988	-0.294218
+H	-1.053975057	 1.3728070901	 2.2391020345	 0.120706
+H	 0.0089287166	 2.460051464	 1.3359392546	 0.137956
+H	-1.7491496083	 2.6937066177	 1.2873093733	 0.122129
+H	-0.9481101151	 1.6206692663	-0.8301557401	 0.098615
+H	-2.8673090182	 0.0140758726	 0.8808079041	 0.079308
+H	-3.8597080113	-0.7072807411	-1.1891484465	 0.112021
+H	-3.1633749126	 0.8108112798	-1.7816355349	 0.106262
+H	-2.4147048644	-1.5803813868	-2.9434757281	 0.116823
+H	-1.1880441211	-0.3319331947	-2.6418249054	 0.101137
+H	-1.1729389516	-1.950492357	 0.7895061612	 0.101099
+19
+0 3424	2.6329734	1.5366572	1.122558	2.8278	75.41	-0.23513	-0.0224	0.21273	1118.5752	0.157587	-422.57183	-422.563582	-422.562638	-422.605011	30.754
+C	-1.0190558576	 2.0380522698	 1.3166368518	-0.413151
+C	-0.9771565819	 1.0537242392	 0.1536391935	-0.101789
+C	-2.0914223888	-0.0399031494	 0.0257538972	-0.05516
+C	-2.7880679913	-0.1069475873	-1.3323298654	-0.104675
+O	-1.793550192	-0.5906914675	-2.2290641478	-0.245189
+C	-1.086885913	-1.6146092455	-1.5433496971	-0.100714
+C	-0.996002947	-1.1626049783	-0.0681744968	-0.177626
+C	 0.0520207691	-0.084302048	 0.24141249	 0.405363
+O	 1.2101991355	-0.1262539868	 0.5449732497	-0.30728
+H	-1.1613635316	 1.5188044544	 2.2702741335	 0.119927
+H	-0.0797152309	 2.595138747	 1.378073359	 0.138529
+H	-1.8362470132	 2.7564139078	 1.1971726727	 0.119887
+H	-0.8510268088	 1.5860535355	-0.7984276848	 0.111615
+H	-2.7682194484	-0.0917788079	 0.8794608729	 0.079586
+H	-3.6498625343	-0.7937939311	-1.2959500528	 0.091608
+H	-3.1297436866	 0.8614627103	-1.7087578993	 0.113642
+H	-1.6326528997	-2.5695587029	-1.5990282267	 0.098405
+H	-0.1153970686	-1.7391160601	-2.0284285448	 0.127981
+H	-1.0144432708	-2.001917389	 0.6295810252	 0.09904
+19
+0 3425	2.5981788	1.5639732	1.138021	1.5149	75.	-0.2346	-0.0273	0.2073	1111.6557	0.157279	-422.572702	-422.564347	-422.563403	-422.606199	31.021
+C	-1.0850914696	 1.9672905464	 1.2573512467	-0.413487
+C	-1.1241029009	 1.0681330837	 0.0229076443	-0.130376
+C	-2.1054841088	-0.1543423525	 0.0457266273	 0.088014
+O	-2.9159125991	-0.3234240754	-1.1001167546	-0.252933
+C	-2.1241548072	-0.9139618837	-2.1275776732	-0.09584
+C	-1.1488705368	-1.8666057773	-1.4142923414	-0.238742
+C	-0.9065568519	-1.1555706178	-0.0711279242	-0.178362
+C	 0.0370078996	 0.0622243221	-0.0948548662	 0.393671
+O	 1.228514692	 0.1791475223	-0.1390419044	-0.306381
+H	-1.0135059835	 1.3766736329	 2.1772273549	 0.119047
+H	-0.2166323989	 2.6311660334	 1.2207608823	 0.138101
+H	-1.988652169	 2.5813205061	 1.3207091669	 0.126795
+H	-1.2443565635	 1.6706823231	-0.8852231085	 0.108692
+H	-2.7456422859	-0.2093732231	 0.9283081623	 0.085313
+H	-2.8020072389	-1.4167830658	-2.8216542763	 0.115427
+H	-1.5735641579	-0.1427585428	-2.6889035149	 0.099743
+H	-1.6230933339	-2.8356084674	-1.2348799572	 0.116763
+H	-0.2295381594	-2.0336104405	-1.9807386398	 0.123729
+H	-0.7191089865	-1.8445287235	 0.754968666	 0.100825
+19
+0 3426	2.6743811	1.496248	1.103774	2.4376	74.96	-0.24053	-0.03112	0.20940999999999999	1121.8925	0.157625	-422.579278	-422.570858	-422.569914	-422.613106	31.412
+O	-1.1090325358	 2.0373204988	 1.0148107015	-0.446164
+C	-1.0664576034	 1.0445779964	 0.0231080105	 0.043335
+C	-2.1771127684	-0.0612869706	 0.0399309438	-0.045912
+C	-2.993978371	-0.2082294816	-1.248860959	-0.221516
+C	-2.0036372475	-0.8233878148	-2.259023371	-0.213239
+C	-1.1559425688	-1.8054755173	-1.4238636287	-0.226579
+C	-1.0697771906	-1.1862074856	-0.0070659751	-0.148134
+C	-0.0479227081	-0.0780176281	 0.2576979717	 0.357192
+O	 1.0439409576	-0.0467603402	 0.7575575137	-0.317801
+H	-0.2441879498	 2.038872444	 1.4441940984	 0.296342
+H	-0.9718017186	 1.4946995389	-0.9784474109	 0.090024
+H	-2.7639502575	-0.0128886113	 0.9572806371	 0.088149
+H	-3.8301826685	-0.8963943641	-1.077912954	 0.102116
+H	-3.4165246394	 0.7418953531	-1.5903942427	 0.106929
+H	-2.5037480485	-1.3152693396	-3.097571079	 0.102243
+H	-1.3661514022	-0.0410789163	-2.6871855404	 0.107906
+H	-1.6723541244	-2.7679881639	-1.3449347547	 0.111078
+H	-0.1731191978	-2.0047015508	-1.8600388628	 0.11471
+H	-1.0607657073	-1.947552877	 0.7764551716	 0.099321
+19
+0 3427	3.2353584	1.2431842	0.9765272	0.4772	78.29	-0.22244	0.0209	0.24334	1209.9577	0.157737	-422.531396	-422.523	-422.522055	-422.564299	31.847
+O	 0.2895987192	-0.154781009	 0.2572307162	-0.425188
+C	-0.6596673396	 0.6491520926	 0.8879377567	 0.117357
+C	-1.4761248484	 0.192511908	 2.0664956577	-0.100274
+C	-2.9448650671	 0.5409597021	 2.1920792944	-0.120426
+O	-3.2328872567	 1.1664468755	 3.4323625476	-0.233694
+C	-3.1854410938	 2.5746746644	 3.389257313	-0.131919
+C	-1.8936821223	 3.2304408997	 2.9805039126	-0.05661
+C	-0.7592135315	 2.7021423721	 2.516050624	-0.083622
+C	-0.4294553426	 1.2821022188	 2.2470312095	-0.123966
+H	 0.7144111915	-0.709138897	 0.9194702239	 0.284437
+H	-1.1682011065	 1.2575128485	 0.1461977798	 0.110742
+H	-1.2005719904	-0.7698685912	 2.4918338865	 0.082322
+H	-3.2674527758	 1.1834133732	 1.3594916055	 0.094213
+H	-3.5507122043	-0.3707861141	 2.1530999087	 0.107883
+H	-3.9842718044	 2.9582250631	 2.7244870691	 0.095619
+H	-3.4489944131	 2.9106425135	 4.4005584946	 0.118861
+H	-1.940117719	 4.3156924843	 3.0742469616	 0.087956
+H	 0.0505790426	 3.3954617368	 2.2891145483	 0.089133
+H	 0.4933023323	 0.9482281687	 2.7219533405	 0.087177
+19
+0 3428	3.2257761	1.3139336	1.0310289	1.8922	77.51	-0.23409	0.01272	0.24681	1170.3515	0.15777	-422.533234	-422.525104	-422.52416	-422.56548	31.735
+O	 0.2841321858	 0.2847117098	-0.1158190301	-0.428657
+C	-0.7813812183	 0.3973635798	 0.7781957427	 0.043983
+C	-2.1052732485	-0.0927955761	 0.3017437204	 0.077119
+O	-3.1836137574	 0.7085264309	 0.6618524678	-0.242379
+C	-4.3946464285	 0.0289670803	 0.9570275346	-0.056336
+C	-4.2416277682	-1.1926191	 1.8903684645	-0.286773
+C	-3.2461965726	-0.984998636	 3.0070873071	-0.044792
+C	-1.9392101822	-0.8495499389	 2.7750577643	-0.070708
+C	-1.3749244787	-0.8599560849	 1.399078563	-0.161007
+H	 1.0805818046	 0.0992594829	 0.3928839841	 0.286764
+H	-0.8123192262	 1.3043438772	 1.38165123	 0.099508
+H	-2.1452913846	-0.5390485326	-0.6923356497	 0.092822
+H	-5.0261946383	 0.7893114004	 1.4266145242	 0.110711
+H	-4.8925132127	-0.2921347349	 0.028776136	 0.090439
+H	-5.2336722175	-1.4312869715	 2.2872019304	 0.101461
+H	-3.9342168494	-2.0585236853	 1.2931557699	 0.118663
+H	-3.6189940493	-0.9526125663	 4.0275021405	 0.089213
+H	-1.2469482308	-0.7281941084	 3.6062805465	 0.084178
+H	-0.8806773973	-1.7754009865	 1.0742626938	 0.095791
+19
+0 3429	2.1953887	1.5300935	0.9625178	2.4232	78.88	-0.23664	-0.04326	0.19338	1239.9431	0.155295	-422.603286	-422.593614	-422.59267	-422.637862	34.859
+C	-2.4035103125	-2.3796098225	-0.6186347239	-0.411829
+C	-1.8442996387	-1.3061228585	 0.3118993723	-0.125049
+C	-2.3748225679	 0.1361225053	 0.1332263918	 0.057664
+O	-3.3593625805	 0.5394998722	 1.0757209348	-0.434328
+C	-1.1490730007	 0.99754621	 0.303747455	-0.163637
+C	-0.0031070785	 0.3041817939	 0.3235861205	 0.201688
+C	 1.4061827086	 0.7892762924	 0.4097036384	-0.49207
+C	-0.3200918653	-1.1460710145	 0.2041911312	 0.323382
+O	 0.4783712955	-2.0402164394	 0.0368112322	-0.336469
+H	-1.8626720728	-3.3180043469	-0.4716450097	 0.143266
+H	-3.4673340121	-2.560150087	-0.4333961545	 0.105375
+H	-2.286921427	-2.0912901073	-1.668978234	 0.119882
+H	-2.0477291855	-1.5751089365	 1.3570871704	 0.115453
+H	-2.7659139679	 0.2636144384	-0.890831112	 0.081523
+H	-4.1776525999	 0.0778980611	 0.8673322453	 0.287215
+H	-1.2406632876	 2.0764694974	 0.3749933801	 0.114979
+H	 1.8888093439	 0.4138282147	 1.3188754861	 0.143156
+H	 1.9922619809	 0.4013957955	-0.4303311749	 0.146294
+H	 1.4624329081	 1.8803120518	 0.4096284609	 0.123507
+19
+0 3430	2.2287449	1.5381708	0.9624683	2.9914	79.28	-0.24496	-0.049	0.19596000000000002	1240.5978	0.155628	-422.60347	-422.594002	-422.593058	-422.637706	34.459
+C	-3.1966565099	 0.1609802713	-1.4320247262	-0.411883
+C	-2.3526688508	 0.0238679044	-0.1614927149	-0.047275
+C	-1.1152379202	 0.8972797739	-0.1422575887	-0.153262
+C	-0.0068726255	 0.2876295256	 0.3121110888	 0.194106
+C	 1.3632020531	 0.8385502638	 0.5380307167	-0.494771
+C	-0.3768422795	-1.0981080508	 0.6758562564	 0.282684
+O	 0.2356793739	-1.8892143613	 1.3621864041	-0.352175
+C	-1.7636225395	-1.3800249677	 0.0908635656	 0.041869
+O	-2.5337599174	-2.2003067322	 0.9302747398	-0.442776
+H	-4.0626604546	-0.5060305842	-1.3921420745	 0.135048
+H	-3.564855666	 1.185241662	-1.5525856177	 0.115625
+H	-2.6123136128	-0.0929196009	-2.3231249597	 0.119119
+H	-2.9785934968	 0.2712454511	 0.7066563937	 0.110734
+H	-1.1565683033	 1.936692237	-0.4575397147	 0.107968
+H	 1.6773956138	 0.6569810648	 1.5713510162	 0.149251
+H	 2.0977461678	 0.3362828965	-0.101680127	 0.140625
+H	 1.4075842837	 1.9119556015	 0.3382526495	 0.124416
+H	-1.6002361228	-1.8632843366	-0.8906969649	 0.088899
+H	-1.8949394833	-2.7177208181	 1.4425038876	 0.291799
+19
+0 3431	2.3577443	1.5067344	0.9913854	2.8631	77.82	-0.247	-0.02585	0.22114999999999999	1212.6957	0.155052	-422.596097	-422.586596	-422.585652	-422.630328	34.752
+C	 0.5066316063	-2.1533686811	-0.6439358639	-0.399548
+C	-0.3327123941	-1.2405542504	 0.2573207496	-0.202526
+C	-0.0812474403	 0.2581418702	 0.1475028743	 0.315508
+C	 1.3042124691	 0.8212969322	 0.1760757553	-0.49213
+C	-1.221393488	 0.9534505405	 0.0533567706	-0.205233
+C	-2.4465399056	 0.0852473797	 0.138069044	 0.020454
+O	-3.4401115773	 0.3590250013	-0.8234982333	-0.442174
+C	-1.8285076429	-1.3067093228	-0.0616237993	 0.355166
+O	-2.4349387703	-2.238637159	-0.5269219252	-0.324742
+H	 0.1231085353	-3.1755021907	-0.595910791	 0.140114
+H	 0.4563231211	-1.8256115201	-1.6869134741	 0.126936
+H	 1.5554462227	-2.1608604939	-0.3352895954	 0.117973
+H	-0.1991774926	-1.5653441737	 1.3024157399	 0.109757
+H	 1.8207873045	 0.5558232806	 1.1075942779	 0.128444
+H	 1.9141844419	 0.4224278444	-0.6429646441	 0.13551
+H	 1.291475808	 1.9111179243	 0.0922544247	 0.12959
+H	-1.2866021415	 2.0328767555	-0.0235388636	 0.103911
+H	-2.8817512815	 0.131510606	 1.1555036146	 0.090869
+H	-3.7950616449	-0.502022793	-1.0863202907	 0.292121
+19
+0 3432	2.3470672	1.5250141	0.9979708	2.3721	78.27	-0.2494	-0.02583	0.22357000000000002	1213.3033	0.155034	-422.596675	-422.587152	-422.586208	-422.630868	34.758
+C	-2.1356603583	-2.6246590205	-0.6361189529	-0.392024
+C	-1.7589607353	-1.4334002805	 0.2504538512	-0.149383
+C	-0.2788571775	-1.1407604493	 0.3895165983	-0.179862
+C	 0.0401067066	 0.1503829639	 0.2378615618	 0.2854
+C	 1.3919456026	 0.7815653018	 0.2864153765	-0.492207
+C	-1.2059336841	 0.9879916076	 0.0385431123	-0.032577
+O	-1.110025977	 1.9670248898	-0.9687955319	-0.442162
+C	-2.2413971953	-0.0905850675	-0.305382721	 0.355057
+O	-3.1869490729	 0.1111447058	-1.0252651533	-0.325021
+H	-1.803661923	-3.5640179488	-0.1844487172	 0.116411
+H	-3.2188840495	-2.6690060148	-0.774503308	 0.136435
+H	-1.6720611326	-2.53648718	-1.6231451152	 0.12625
+H	-2.2230787166	-1.5727060079	 1.2405887962	 0.109471
+H	 0.4403960075	-1.9281976969	 0.5925872867	 0.096164
+H	 1.4677974704	 1.4899293071	 1.1212665928	 0.129523
+H	 2.181663952	 0.0335173965	 0.3953732769	 0.121827
+H	 1.5724651764	 1.3573230686	-0.6277775402	 0.150324
+H	-1.4947534263	 1.4602798508	 0.9979231462	 0.09239
+H	-1.9440013873	 1.9201813044	-1.4585166193	 0.293984
+19
+0 3433	2.3314347	1.5281449	1.1653018	2.667	77.33	-0.23376	0.01123	0.24498999999999999	1127.3265	0.155899	-422.56207	-422.553093	-422.552148	-422.595097	34.516
+C	 1.1906955502	 0.530097292	-0.3513476953	-0.511337
+C	-0.1953450491	 0.0547791715	-0.0562169728	 0.275952
+C	-1.3212330517	 0.7733693231	 0.0358101994	-0.256958
+C	-2.5433072937	-0.0851594943	 0.2890571643	 0.102548
+O	-3.4972118367	-0.0192083689	-0.7666992488	-0.43209
+C	-1.9557200208	-1.4857815101	 0.476803038	-0.13011
+C	-0.9753545718	-1.7057730219	 1.6097238911	-0.351108
+C	-0.4730578635	-1.3978613712	 0.2140562518	 0.305668
+O	 0.2000224881	-2.3681473337	-0.5306318627	-0.465497
+H	 1.8622559047	 0.3500926238	 0.4985803734	 0.123905
+H	 1.6079449822	-0.0191419029	-1.2033192839	 0.138055
+H	 1.2129843765	 1.5979290445	-0.5813760004	 0.127956
+H	-1.3907207679	 1.8515415432	-0.0590628035	 0.093444
+H	-3.0960865334	 0.2374073848	 1.1794745885	 0.092513
+H	-3.0125587655	-0.1566727223	-1.5887048871	 0.275877
+H	-2.5347716207	-2.332424838	 0.1287978124	 0.102389
+H	-0.8702633034	-0.9493246696	 2.3816324851	 0.112119
+H	-0.87020458	-2.7324359882	 1.9485178448	 0.11114
+H	 1.0066833965	-2.6037331018	-0.0607068144	 0.285538
+19
+0 3434	2.576704	1.5548856	1.1191838	2.6499	76.5	-0.24029	-0.00088	0.23941	1132.2982	0.155564	-422.558773	-422.549797	-422.548853	-422.591909	33.981
+C	 1.2972532979	 0.6836332632	 0.2393636958	-0.503868
+C	-0.0429849155	 0.0195883062	 0.2293648888	 0.28309
+C	-0.317657034	-1.2815982634	 0.360167331	-0.233653
+C	-1.8091619635	-1.5794591101	 0.3686053154	 0.084763
+O	-2.2404370475	-2.2087573702	 1.5656141194	-0.436274
+C	-2.420282626	-0.1864396342	 0.1864501071	-0.068881
+O	-2.1501312135	 0.6589647476	 1.3168536909	-0.311234
+C	-1.3370483368	 0.7971321259	 0.1101938992	 0.32663
+C	-1.4135765875	 2.1282655845	-0.5814192233	-0.50087
+H	 1.3784313451	 1.3994495245	 1.0670223147	 0.136055
+H	 2.1011146013	-0.0493476178	 0.3437654208	 0.130031
+H	 1.4732478763	 1.2506228748	-0.6830467472	 0.128938
+H	 0.4118348293	-2.0640535251	 0.5401256424	 0.100096
+H	-2.1043756574	-2.2529446729	-0.4441132082	 0.089098
+H	-2.1284046424	-1.5420260538	 2.2564258014	 0.287195
+H	-3.3950908319	-0.0543931725	-0.2753870723	 0.095032
+H	-1.0714632456	 2.0466084066	-1.6186764347	 0.12756
+H	-2.44104951	 2.4989531894	-0.5792227782	 0.135537
+H	-0.7833535283	 2.8690317873	-0.0779128228	 0.130754
+19
+0 3435	2.6122706	1.4773332	1.1372521	2.3513	76.76	-0.24054	-0.00271	0.23783	1146.3813	0.155609	-422.559314	-422.550335	-422.549391	-422.592468	33.939
+C	 1.3436180364	 0.6635057399	 0.254876472	-0.499523
+C	-0.0141328468	 0.0391293044	 0.2896098039	 0.33762
+C	-0.3375817426	-1.2581960954	 0.2668467817	-0.239561
+C	-1.8352519024	-1.4979346609	 0.3611267982	 0.043975
+O	-2.2143146477	-2.2604556389	 1.4966611248	-0.436029
+C	-2.4133627152	-0.0695510571	 0.4123751459	 0.382378
+C	-3.8047965783	 0.2100728879	-0.0738309601	-0.498474
+O	-2.0090912412	 0.577748716	 1.6351138968	-0.3106
+C	-1.2741514104	 0.8515223608	 0.4072479545	-0.134994
+H	 1.5293956533	 1.2517035968	 1.1622522285	 0.137259
+H	 2.1295771889	-0.0910156185	 0.168266268	 0.129616
+H	 1.4418746492	 1.354880215	-0.5915003294	 0.128826
+H	 0.3665966422	-2.0833173113	 0.2624843383	 0.100981
+H	-2.2208297226	-2.0497510661	-0.5044163313	 0.087143
+H	-2.0017780518	-1.7021724071	 2.2568931134	 0.286295
+H	-4.5225380399	-0.4146227084	 0.468989255	 0.139088
+H	-4.0685791975	 1.2585322116	 0.0852078649	 0.128808
+H	-3.8975720814	-0.0200996159	-1.1404348803	 0.123766
+H	-1.3324342921	 1.8813430272	 0.0644995152	 0.093427
+19
+0 3436	2.5849067	1.5128878	1.1115216	2.4402	77.58	-0.22171	0.00285	0.22455999999999998	1134.8874	0.156487	-422.563111	-422.554481	-422.553536	-422.595735	33.862
+C	 1.1541461877	 0.6445346645	-0.4042789236	-0.494057
+C	-0.1717543791	 0.0549540891	-0.0401598751	 0.344952
+C	-1.34711833	 0.7003628696	 0.0390690766	-0.264912
+C	-2.4845762686	-0.2197904092	 0.3966747867	 0.013707
+O	-3.4250026996	-0.395019555	-0.6786388858	-0.444481
+C	-1.7914879476	-1.5585191673	 0.7014623753	 0.413189
+O	-2.5269864442	-2.7007909139	 0.4297757828	-0.474669
+C	-0.7825994026	-1.6076111393	 1.7927591491	-0.333611
+C	-0.3196150081	-1.3798214772	 0.3467986892	-0.229653
+H	 1.86965166	 0.5366290775	 0.4201075036	 0.135572
+H	 1.5910176625	 0.1206156846	-1.2635504054	 0.130293
+H	 1.0727299778	 1.705390748	-0.6551260319	 0.125214
+H	-1.4953327884	 1.760230734	-0.1356062919	 0.093464
+H	-3.0857919128	 0.1294798377	 1.2429510849	 0.097314
+H	-2.9226835625	-0.3105901718	-1.4977437376	 0.28115
+H	-3.1633528444	-2.4259560105	-0.2469278722	 0.284119
+H	-0.693349333	-0.7855071419	 2.4969542531	 0.110096
+H	-0.5998373509	-2.5943722277	 2.2065752269	 0.122458
+H	 0.270793204	-2.1531155313	-0.1320149448	 0.089855
+19
+0 3437	2.5239583	1.6667081	1.2478133	2.493	76.36	-0.23994	0.00344	0.24337999999999999	1064.2284	0.158092	-422.552909	-422.544949	-422.544005	-422.585031	31.298
+C	 1.2957311771	 0.6227052976	-0.1897264389	-0.504006
+C	-0.1087129942	 0.1169663329	-0.0672671924	 0.360542
+C	-1.2063328195	 0.8728514369	 0.0358399237	-0.235405
+C	-2.5656196543	 0.2037069069	 0.124417252	 0.123153
+O	-3.3594134305	 0.5027292843	-1.0187591659	-0.442618
+C	-2.3632287953	-1.3155521336	 0.2288119207	 0.049116
+C	-1.2399827095	-1.7192109855	 1.2039229912	-0.257496
+C	-0.3670561404	-1.3813223042	-0.0303047038	-0.010415
+O	-1.5080609625	-1.6894181473	-0.896264418	-0.307776
+H	 1.9255337329	 0.2545826058	 0.6307910871	 0.127479
+H	 1.7616093342	 0.2719730232	-1.119558041	 0.132144
+H	 1.3310003498	 1.7152226843	-0.17914225	 0.127658
+H	-1.1750751766	 1.9582093572	-0.0016798041	 0.092533
+H	-3.1359196352	 0.5749797267	 0.9844010313	 0.086418
+H	-2.8840687979	 0.109074155	-1.7626348476	 0.282473
+H	-3.3135079121	-1.8547674702	 0.2275602529	 0.084038
+H	-1.0904471212	-1.1347477799	 2.1130274039	 0.105387
+H	-1.2631713594	-2.7884019456	 1.4236754642	 0.110935
+H	 0.5061739246	-1.9932368644	-0.2678383451	 0.075839
+19
+0 3438	2.1967701	1.7278982	1.0998323	1.1803	76.94	-0.24431	0.0042	0.24851	1129.9148	0.15743	-422.555303	-422.546877	-422.545933	-422.588245	31.798
+C	 1.254382314	 0.6123680569	-0.0920976704	-0.499723
+C	-0.1202570756	 0.0358068955	 0.0166124196	 0.319045
+C	-0.4761490193	-1.186043803	 0.4309923149	-0.226743
+C	-1.968096362	-1.426946107	 0.4093977524	 0.08992
+O	-2.3480766261	-2.4393804241	-0.5223251979	-0.433651
+C	-2.5386354279	-0.0334262456	 0.0775181214	-0.11988
+C	-2.7304858874	 0.9661216863	 1.2402161394	-0.086093
+O	-1.6574445833	 1.8122106761	 0.7712564752	-0.295248
+C	-1.3401522564	 0.8712530847	-0.2919688946	 0.029686
+H	 1.3386684888	 1.5046465728	 0.539593405	 0.148013
+H	 2.0247247699	-0.1011998027	 0.211133833	 0.125335
+H	 1.4666855716	 0.9342530976	-1.1194530742	 0.127401
+H	 0.2164947161	-1.9658035553	 0.7327087572	 0.096107
+H	-2.3464387826	-1.7928368209	 1.3715787659	 0.089705
+H	-1.8794612387	-2.2591554725	-1.3449431559	 0.272544
+H	-3.3716218129	-0.0951132169	-0.6221326942	 0.085784
+H	-3.685540252	 1.5027346896	 1.2563887452	 0.105306
+H	-2.5316142144	 0.5594210637	 2.2409288971	 0.099545
+H	-1.3001535818	 1.3837533149	-1.2607428691	 0.072949
+19
+0 3439	2.4610313	1.6782439	1.1661668	3.168	76.67	-0.24147	0.01331	0.25478	1092.732	0.1579	-422.556414	-422.548233	-422.547288	-422.589027	31.297
+C	 1.3611187393	 0.710316766	 0.2782427229	-0.493786
+C	 0.0087312231	 0.071552735	 0.216675638	 0.31289
+C	-0.2757925015	-1.2329614288	 0.1730467014	-0.21195
+C	-1.7594610273	-1.5382061615	 0.1187304917	 0.091581
+O	-2.2135808317	-2.4135121072	 1.1333207471	-0.436047
+C	-2.3941169628	-0.1300254312	 0.2505036206	 0.073098
+O	-2.6888246634	 0.1753366928	 1.6406422406	-0.304188
+C	-1.7636587838	 1.2895965241	 1.6394321044	-0.07904
+C	-1.251462309	 0.9080908573	 0.2295908178	-0.170514
+H	 1.4590408414	 1.3484369642	 1.1659728437	 0.126839
+H	 2.1593585975	-0.035623811	 0.306617564	 0.12977
+H	 1.5310828887	 1.3596835572	-0.590142197	 0.127704
+H	 0.4608286657	-2.0297221464	 0.1843961842	 0.094861
+H	-2.0353796742	-2.0124456721	-0.8318555556	 0.082359
+H	-2.315456465	-1.8564411461	 1.9187714145	 0.286734
+H	-3.2714083201	 0.0310129923	-0.3822181404	 0.078111
+H	-2.2994771465	 2.2450909395	 1.6932139908	 0.104144
+H	-1.0419489439	 1.228018474	 2.4617716232	 0.106673
+H	-1.2706633263	 1.7036252421	-0.5189603317	 0.080759
+19
+0 3440	2.8524457	1.3696825	1.0373015	2.49	77.59	-0.24351	0.01808	0.26159	1189.2741	0.156215	-422.556255	-422.54761	-422.546666	-422.589232	33.063
+C	 1.5841622848	 0.6797939593	 0.1824709987	-0.491436
+C	 0.2201485588	 0.0874483011	 0.0275758277	 0.32671
+C	-0.1321060358	-1.1951555961	 0.1513119326	-0.220295
+C	-1.5979765906	-1.4325891366	-0.1456993458	 0.039381
+O	-2.2880448249	-2.2916742761	 0.7336358311	-0.440176
+C	-2.1449021109	 0.0088460518	-0.1135938491	 0.36265
+C	-3.5633258374	 0.3197521888	-0.2682497413	-0.245466
+O	-2.9630595368	 0.2800443919	 1.0384141076	-0.274976
+C	-0.974017674	 0.9517694246	-0.3434587689	-0.387005
+H	 1.5899629456	 1.4551468571	 0.9592367191	 0.129188
+H	 2.325359225	-0.0781530751	 0.4487894292	 0.127411
+H	 1.9125354579	 1.1673898119	-0.7445592819	 0.126303
+H	 0.5393871012	-2.0123064683	 0.3901537661	 0.095799
+H	-1.717294941	-1.8657470752	-1.1498701545	 0.090393
+H	-2.601909733	-1.7273452423	 1.4547467351	 0.288803
+H	-3.8747828268	 1.3092481317	-0.5992582449	 0.116491
+H	-4.2648519536	-0.4872067856	-0.4743350094	 0.124203
+H	-0.9164942403	 1.28082747	-1.3906434677	 0.112421
+H	-1.067242708	 1.8535581271	 0.2725254062	 0.119599
+19
+0 3441	2.9626896	1.1456198	0.8770824	2.7039	78.32	-0.23747	-0.02943	0.20803999999999997	1326.4218	0.155317	-422.586562	-422.57721	-422.576266	-422.621092	33.866
+C	 1.3145795109	 1.0342967968	 0.2725908688	-0.490458
+C	-0.026936682	 0.3737135045	 0.2565264381	 0.327417
+C	-1.1870043746	 0.896274633	-0.1478862874	-0.193512
+C	-2.3501608926	-0.032887232	 0.0736564435	 0.101479
+O	-3.2497621064	-0.0453632344	-1.0210753891	-0.447687
+C	-1.6408870638	-1.3905520684	 0.3011172492	-0.101041
+C	-0.2150726264	-1.0373401617	 0.7879816377	-0.345986
+C	-2.432949969	-2.3611305369	 1.1362324604	 0.129607
+O	-3.6258478011	-2.273486928	 1.3077264004	-0.256885
+H	 1.7133367334	 1.0982265049	 1.2932964626	 0.127131
+H	 2.0451170746	 0.4589920147	-0.3102849767	 0.12684
+H	 1.269900033	 2.0463229758	-0.1379098584	 0.128792
+H	-1.3267512323	 1.8996650886	-0.5340795532	 0.098184
+H	-2.8958156174	 0.2566896174	 0.9869323391	 0.082692
+H	-4.0205759499	-0.5461673673	-0.7305782126	 0.289551
+H	-1.5541687092	-1.8532910917	-0.6936034232	 0.121763
+H	-0.1443414948	-1.0478334989	 1.8858498816	 0.111693
+H	 0.5493673974	-1.7341757035	 0.4246242176	 0.108439
+H	-1.8576348596	-3.203762393	 1.5837213816	 0.081979
+19
+0 3442	2.2592667	1.5926738	1.0737591	0.67	77.68	-0.23912	0.01542	0.25454	1164.2255	0.156781	-422.557544	-422.548909	-422.547965	-422.590775	32.615
+C	 1.3753432103	 0.8650416301	 0.4537621095	-0.473914
+C	 0.0658115849	 0.1335104377	 0.3401724273	 0.326654
+C	-0.0124896519	-1.1934245345	 0.445366019	-0.141573
+C	-1.2690447303	-2.0082556668	 0.3444784697	 0.019118
+O	-1.1643129159	-2.8211222086	-0.8307974243	-0.429343
+C	-2.5295157042	-1.1661278544	 0.2817000613	 0.014759
+O	-2.7864681658	-0.3318666714	 1.4124370493	-0.265338
+C	-2.4654516072	 0.2935592554	 0.1618596024	 0.060121
+C	-1.1392351818	 1.0086663094	 0.0882937923	-0.335686
+H	 1.3601733015	 1.569806913	 1.2952081383	 0.126032
+H	 2.2117616935	 0.1770567868	 0.5991697719	 0.124266
+H	 1.5744489625	 1.4605330556	-0.4466611853	 0.123787
+H	 0.8938467068	-1.7730221471	 0.6016144857	 0.085319
+H	-1.3392058161	-2.6554569333	 1.2353006363	 0.080223
+H	-1.8164713205	-3.5262781397	-0.7596669586	 0.283125
+H	-3.405237612	-1.6916097814	-0.1051299534	 0.079155
+H	-3.306928456	 0.8150963696	-0.2951171096	 0.089818
+H	-1.04531258	 1.4712720976	-0.9054091635	 0.116167
+H	-1.143172168	 1.8479243621	 0.7988382716	 0.117309
+19
+0 3443	2.7285585	1.3120158	0.9635474	3.3828	77.89	-0.23719	-0.02317	0.21402000000000002	1241.7096	0.156223	-422.597605	-422.588722	-422.587778	-422.631187	33.401
+C	 1.3910119349	 0.4520511598	-0.4669281972	-0.484069
+C	-0.0089884378	 0.1946463602	 0.0107106431	 0.329885
+C	-1.0869485819	 0.7988973653	-0.4932269588	-0.208203
+C	-2.4627716893	 0.5325349622	 0.0747833669	 0.013348
+O	-3.4914765232	 1.0219005217	-0.7376377074	-0.44133
+C	-2.6084798958	-0.9765097844	 0.2812425191	 0.369902
+O	-3.6111145526	-1.5393496263	-0.1005786404	-0.336287
+C	-1.4326076476	-1.6934798988	 0.9162609228	-0.307455
+C	-0.2071316007	-0.7881733258	 1.1504166119	-0.321493
+H	 2.0257103336	 0.8190475287	 0.3503120709	 0.127028
+H	 1.8605500239	-0.469876717	-0.8336897193	 0.125651
+H	 1.4132171244	 1.1912438996	-1.2716795185	 0.127417
+H	-1.0355499631	 1.5157320315	-1.3065637706	 0.104274
+H	-2.5284653989	 0.9880587535	 1.0847234939	 0.098069
+H	-4.0989893385	 0.2725788935	-0.8516149889	 0.291846
+H	-1.7762548207	-2.1593832358	 1.8467753145	 0.135826
+H	-1.1767243937	-2.5188173009	 0.2425802881	 0.145243
+H	-0.3315103989	-0.232204012	 2.0908683445	 0.120616
+H	 0.682853876	-1.409930265	 1.2875381855	 0.109734
+19
+0 3444	2.7828605	1.3343273	0.9497941	4.3609	79.1	-0.25318	0.00799	0.26117	1254.5395	0.156235	-422.604491	-422.595178	-422.594234	-422.640229	33.245
+C	-3.2825648265	 0.7468272243	-1.3914299376	-0.38429
+C	-2.5280343586	 0.5563390017	-0.059726425	-0.203526
+C	-1.0952101585	 0.9909550606	-0.1503367274	-0.138766
+C	-0.0726644914	 0.2471743692	 0.258163043	 0.242292
+C	 1.3666881214	 0.6727130348	 0.1771369986	-0.476517
+C	-0.3054289514	-1.1053153682	 0.8597088771	-0.133236
+O	-1.6505998244	-1.5875864787	 0.8542715988	-0.23635
+C	-2.7207436272	-0.8755261899	 0.435566471	 0.420795
+O	-3.8034250126	-1.3964987158	 0.4722627869	-0.332203
+H	-2.818517014	 0.1586602521	-2.1891705386	 0.123076
+H	-4.3199141498	 0.4276225062	-1.2821510069	 0.14775
+H	-3.2609576883	 1.7994275316	-1.6892353917	 0.113076
+H	-3.0429020614	 1.1783920901	 0.6886703326	 0.12242
+H	-0.9148653041	 1.9746141656	-0.5794236691	 0.089897
+H	 1.8393237121	 0.6752406589	 1.1676433012	 0.12988
+H	 1.9515651188	-0.0139352953	-0.44786618	 0.131097
+H	 1.4574142185	 1.6767511188	-0.243682	 0.131683
+H	 0.2926137917	-1.8620846715	 0.3336287177	 0.126536
+H	 0.0338792156	-1.1165051347	 1.9056954595	 0.126387
+19
+0 3445	3.1012001	1.4426	1.1590419	2.5142	77.13	-0.24082	0.00383	0.24465	1089.0581	0.156962	-422.522073	-422.513622	-422.512678	-422.554799	32.19
+C	-0.0085225334	 1.5810366575	 0.0511779795	-0.371407
+C	 0.0219596633	 0.0506152995	 0.0422682898	-0.077471
+C	-1.3890093309	-0.5744497785	 0.1573318795	 0.101206
+O	-2.6240527804	 0.225448199	 0.1314194242	-0.30577
+C	-2.9954797144	-0.2624874773	 1.4597343519	-0.156151
+C	-1.5834985719	-0.7602257885	 1.6237004144	 0.201543
+C	-0.4596686944	-0.6720360164	 2.3201888828	-0.25865
+C	 0.7086569886	-0.5437258283	 1.330011615	 0.087001
+O	 1.7307987419	 0.3294488387	 1.7826345757	-0.422242
+H	 1.0066309427	 1.9812502751	 0.0512085836	 0.125904
+H	-0.5380627805	 1.9492097972	-0.8314300333	 0.116917
+H	-0.5255711336	 1.9639939151	 0.9345447755	 0.121101
+H	 0.5433072293	-0.294462467	-0.8566567866	 0.06811
+H	-1.5186505517	-1.4479256567	-0.4951243193	 0.078452
+H	-3.3235959679	 0.5381274931	 2.1311525152	 0.121869
+H	-3.778066571	-1.0292140544	 1.389247079	 0.109224
+H	-0.3269165786	-0.5770261961	 3.3915644049	 0.099866
+H	 1.1459172167	-1.5265653368	 1.0906998123	 0.073861
+H	 2.2844575461	-0.1519748951	 2.4041106059	 0.286637
+19
+0 3446	3.1817717	1.4385401	1.1664956	2.5032	77.85	-0.23528	0.0063	0.24158	1098.2918	0.15672	-422.517895	-422.509472	-422.508528	-422.550567	32.133
+C	-0.0232456932	 1.5725897128	-0.0921047088	-0.426292
+C	-0.0178663789	 0.0463132193	 0.0153679855	-0.028931
+C	-1.4176980094	-0.5636710667	 0.1655432502	-0.210294
+C	-1.3205944731	-1.6553649437	 0.9110930596	 0.189888
+C	-1.8652749747	-2.4385312031	 2.0783625042	-0.154922
+O	-0.549169497	-2.3434105132	 2.7088936311	-0.300205
+C	 0.0473772883	-1.8807110748	 1.4593666047	 0.119841
+C	 0.7248035419	-0.4980391474	 1.3048001597	 0.032287
+O	 0.4428386579	 0.2706742462	 2.4543780307	-0.410729
+H	 0.996432023	 1.9735741064	-0.1321786482	 0.10939
+H	-0.5360423341	 1.8967862496	-1.0029214339	 0.120972
+H	-0.5396846416	 2.0227229437	 0.7610470328	 0.128382
+H	 0.4985647435	-0.3592500662	-0.867435615	 0.081621
+H	-2.3158911119	-0.070038076	-0.1875037796	 0.097402
+H	-2.6531742982	-1.9607723723	 2.6703184036	 0.123743
+H	-2.1315754799	-3.4860038936	 1.8851772624	 0.107021
+H	 0.661858738	-2.6766538519	 1.0160829904	 0.077409
+H	 1.8099079357	-0.5710741765	 1.1377113068	 0.056138
+H	 0.9148877238	 1.1048792274	 2.3744770338	 0.287277
+19
+0 3447	3.0217271	1.4627088	1.1576167	1.0474	78.06	-0.23508	0.00765	0.24273	1091.324	0.1581	-422.541324	-422.533175	-422.532231	-422.573881	31.757
+O	 0.0216905156	 1.4492234361	-0.013191424	-0.442647
+C	 0.0299139002	 0.024144064	 0.035226781	 0.092172
+C	 0.6180195055	-0.6046072108	-1.2222396826	-0.308925
+C	-0.126529665	-1.6416926534	-1.5884519559	 0.313044
+C	-0.6939425944	-2.4005557384	-2.7637071229	-0.322531
+C	-2.0988173428	-2.1217691306	-2.0978993942	-0.23819
+C	-1.353308628	-1.8419360331	-0.7469954677	-0.047833
+C	-1.4452515851	-0.5591224205	 0.1018917613	 0.048174
+O	-2.3482348464	 0.3508387121	-0.4958377866	-0.435279
+H	-0.218003261	 1.686621941	-0.917130339	 0.280647
+H	 0.5837043537	-0.2206122967	 0.9496482181	 0.091447
+H	 1.4562052914	-0.1576884709	-1.7450068472	 0.096601
+H	-0.5006311369	-2.0105951496	-3.7657051019	 0.112125
+H	-0.4565005915	-3.4694757498	-2.7469845948	 0.113989
+H	-2.5546250106	-1.2107893575	-2.4861496444	 0.131296
+H	-2.8226305444	-2.939384004	-2.1124602922	 0.09961
+H	-1.328040515	-2.7390835894	-0.1191796991	 0.077915
+H	-1.7396650811	-0.7609328652	 1.1418639059	 0.057295
+H	-2.1521972941	 1.2084207469	-0.096837144	 0.281091
+19
+0 3448	2.2563125	1.6846018	1.239815	3.8505	77.24	-0.23735	-0.04868	0.18867	1073.2132	0.155515	-422.598168	-422.588824	-422.587879	-422.631906	34.824
+C	-0.6396305826	 1.922901549	-1.3746486086	-0.404263
+C	-0.9490975492	 1.2407424802	-0.0268495326	 0.139149
+C	-0.7634743188	 2.2306649744	 1.1283984986	-0.435778
+C	-2.3430662236	 0.5542963094	-0.0359856207	 0.031404
+O	-3.1845238671	 1.0996504436	-1.0433958437	-0.423634
+C	-2.0361594672	-0.9159837735	-0.2405189604	-0.09264
+C	-0.7347869358	-1.1964654803	-0.1308715778	-0.179936
+C	 0.0281194169	 0.0502362162	 0.1163282343	 0.371857
+O	 1.2063506584	 0.1450408021	 0.3716677186	-0.348079
+H	-0.7650648483	 1.2344879963	-2.2144217926	 0.121217
+H	-1.3094409615	 2.7702805811	-1.5357991501	 0.126868
+H	 0.3948399581	 2.2770943993	-1.3670034938	 0.125868
+H	-0.9986395336	 1.7702212137	 2.0940072485	 0.111474
+H	 0.2758563084	 2.5674661722	 1.1654093864	 0.13727
+H	-1.41131902	 3.1036104923	 0.9995002437	 0.116682
+H	-2.8170922751	 0.6844010985	 0.9505117203	 0.082661
+H	-4.0714505837	 0.7478030778	-0.9184745899	 0.287261
+H	-2.8270169686	-1.6367017372	-0.426977277	 0.111466
+H	-0.2609085269	-2.1681298151	-0.1936370131	 0.121153
+19
+0 3449	2.1049197	1.7385042	1.3531048	2.9271	77.36	-0.24336	-0.05449	0.18886999999999998	1055.9254	0.155854	-422.60264	-422.593528	-422.592584	-422.636048	34.414
+C	-3.1379119469	-1.0479733944	 1.3750005546	-0.384023
+C	-2.4088404529	-0.7611205953	 0.0514648175	-0.100445
+C	-2.1583275301	 0.7191002095	-0.1374865549	-0.044162
+C	-0.865424753	 1.0683428303	-0.0731921931	-0.189149
+C	-0.0574009176	-0.1393175209	 0.1610486105	 0.33617
+O	 1.1048879729	-0.2365874612	 0.4922706689	-0.361434
+C	-0.977852157	-1.364691787	-0.0306408311	 0.289365
+C	-0.7029058546	-1.9859026361	-1.4099174542	-0.426734
+O	-0.7212214953	-2.3093712912	 0.9894446863	-0.471611
+H	-3.2953445403	-2.1214756595	 1.4969694515	 0.137477
+H	-2.5523395185	-0.6973442672	 2.228268709	 0.127685
+H	-4.1110867131	-0.5466111525	 1.3913472157	 0.107346
+H	-3.0342712062	-1.1369537595	-0.7684771989	 0.084367
+H	-2.9817238701	 1.4145717539	-0.2707369494	 0.117654
+H	-0.4510824071	 2.0669158553	-0.124059724	 0.120892
+H	-1.3105440806	-2.8876647669	-1.5275237345	 0.125861
+H	-0.9403193857	-1.2905759905	-2.2218131475	 0.11546
+H	 0.3525478343	-2.2632575845	-1.4887278247	 0.127134
+H	 0.2159230119	-2.2033903623	 1.2092288282	 0.288146
+19
+0 3450	2.543798	1.4668533	1.1921269	2.5224	76.52	-0.24651	-0.02774	0.21877000000000002	1118.9184	0.155031	-422.593051	-422.583642	-422.582698	-422.626925	34.946
+C	-0.6807707807	 1.8666534627	 1.3335834818	-0.422604
+C	-0.9677360374	 1.1973602287	-0.0308555076	 0.116717
+C	-0.6618385632	 2.1735888463	-1.1767671773	-0.422283
+C	-2.362703899	 0.6024787871	-0.0944660396	-0.094612
+C	-2.3854093227	-0.730308284	-0.0326956059	-0.111965
+C	-1.0076173013	-1.3106406897	 0.1465455902	 0.011952
+O	-0.7077347376	-2.3924090445	-0.7059533558	-0.44198
+C	-0.1276474366	-0.0852833364	-0.1592838979	 0.344528
+O	 1.0110187004	-0.1735234158	-0.5444143389	-0.336221
+H	-0.861920814	 1.1810982303	 2.1667253443	 0.122415
+H	 0.3589921957	 2.2050921946	 1.3815554282	 0.133143
+H	-1.3309105341	 2.7372518234	 1.4681396975	 0.12268
+H	-0.9014624586	 1.7321679771	-2.1482546613	 0.125144
+H	-1.2465448267	 3.0923614319	-1.0641187728	 0.113705
+H	 0.399816147	 2.4352654595	-1.1759550483	 0.136507
+H	-3.2406599451	 1.2352866576	-0.1775449933	 0.102766
+H	-3.2714049915	-1.3529744718	-0.0629446548	 0.112855
+H	-0.8497570284	-1.6032297829	 1.2022570414	 0.094311
+H	 0.2291536837	-2.2990291143	-0.9290780799	 0.292942
+19
+0 3451	2.5623824	1.4755683	1.1894246	2.3016	76.74	-0.24482	-0.02699	0.21783000000000002	1124.9069	0.154814	-422.596616	-422.587156	-422.586211	-422.630644	35.089
+C	-0.6267818922	 2.204704928	-1.0905568548	-0.395377
+C	-0.9762191287	 1.1361111522	-0.047729879	-0.155138
+C	-2.3640104236	 0.5394180824	-0.1398982552	-0.085733
+C	-2.371597326	-0.794284939	-0.1126413349	-0.103951
+C	-0.9912027172	-1.3770572585	 0.0615054554	 0.258145
+C	-0.750993136	-1.9480327228	 1.4710043031	-0.426921
+O	-0.7055603141	-2.3595485802	-0.9207377803	-0.475482
+C	-0.1147958113	-0.1263178407	-0.1739784266	 0.349496
+O	 1.042642496	-0.1859285627	-0.5048705491	-0.336554
+H	-0.8234082987	 1.8394921532	-2.1029739359	 0.128478
+H	-1.2182949847	 3.1112292241	-0.9328289145	 0.117035
+H	 0.4329828388	 2.4628750711	-1.0228032876	 0.139247
+H	-0.8034445342	 1.5597592544	 0.9544662357	 0.112762
+H	-3.2471778143	 1.1636429314	-0.2242944728	 0.104083
+H	-3.2506851056	-1.4253703581	-0.1722371361	 0.109224
+H	-1.3880630623	-2.824314289	 1.620263174	 0.129546
+H	 0.2947224908	-2.2567543658	 1.5705171378	 0.125873
+H	-0.9756476127	-1.2150222529	 2.2524029864	 0.116862
+H	 0.2451472461	-2.2985875172	-1.0883985558	 0.288404
+19
+0 3452	2.3220188	1.8385631	1.1825557	2.2585	75.76	-0.25371	0.01184	0.26555	1071.0087	0.156597	-422.552077	-422.543596	-422.542652	-422.584829	32.759
+C	 0.9764409779	-0.61557497	-0.8818264336	-0.392486
+C	 1.1386135952	 0.291332175	 0.3419307194	-0.128901
+C	 2.0047399153	 1.5166184564	 0.1090735246	-0.067059
+C	 2.8691037911	 1.7385214639	 1.0976631624	-0.12608
+C	 2.7167653826	 0.7289261708	 2.2171701057	 0.034826
+O	 3.9078692229	 0.2140589453	 2.7654429682	-0.439422
+C	 1.8597630053	-0.3547477601	 1.530872441	 0.348419
+C	 1.4939289591	-1.5982826692	 2.20301572	-0.24451
+O	 2.5891126169	-1.5669898729	 1.2704015967	-0.266557
+H	 0.3639586319	-1.4928318481	-0.6513823593	 0.116256
+H	 0.4838658364	-0.0696080077	-1.6926035807	 0.112608
+H	 1.9470232731	-0.9677045846	-1.2380633666	 0.134708
+H	 0.1380147719	 0.6108467102	 0.6719865264	 0.090643
+H	 1.887371526	 2.132956917	-0.7762840043	 0.097777
+H	 3.5761373445	 2.5571051727	 1.1621892728	 0.103963
+H	 2.1622949673	 1.1797437798	 3.0535016343	 0.092977
+H	 4.1297000582	-0.5580821694	 2.2254241702	 0.290305
+H	 1.7831717332	-1.7449950844	 3.2424606594	 0.125283
+H	 0.6281089211	-2.1689931147	 1.8709783333	 0.11725
+19
+0 3453	2.2077845	1.7937941	1.1394351	0.8065	76.27	-0.252	-0.0011	0.2509	1090.2653	0.157255	-422.554704	-422.546141	-422.545197	-422.587906	33.191
+O	 0.0440218672	 3.2798633834	 3.0006159116	-0.422464
+C	-0.6318538436	 2.4093829011	 2.0954771658	 0.004032
+C	-1.6508915931	 3.1325869991	 1.2446587051	-0.111434
+C	-2.8794381031	 2.6368462323	 1.3761774345	-0.111437
+C	-2.9323385006	 1.4340153853	 2.290373334	 0.004034
+O	-3.4653079851	 0.278553197	 1.6464297195	-0.422464
+C	-1.4703292931	 1.3001743785	 2.7624503526	 0.270132
+C	-1.1457673092	 0.8592100305	 4.1683216782	-0.312642
+C	-0.8872447526	-0.0682923069	 3.0146027174	-0.312643
+H	-0.6286442836	 3.6868533005	 3.5589536425	 0.275662
+H	 0.1812380327	 1.9947654973	 1.4873188528	 0.091217
+H	-1.3675196524	 3.9836101018	 0.6347351156	 0.105933
+H	-3.7709770891	 2.9982280391	 0.8750702413	 0.105934
+H	-3.6181976309	 1.595082535	 3.1309317092	 0.091218
+H	-2.9043275131	 0.0941278668	 0.8840977872	 0.275663
+H	-0.2945891215	 1.3318979135	 4.6458288681	 0.122606
+H	-1.9753536463	 0.6316008566	 4.8305066361	 0.112024
+H	 0.1429847145	-0.2406808348	 2.7189382377	 0.112024
+H	-1.5504534771	-0.9157097661	 2.8804787808	 0.122605
+19
+0 3454	2.0772461	1.5464588	0.9994463	2.4336	76.93	-0.24507	-0.03037	0.2147	1211.7378	0.155481	-422.582805	-422.573596	-422.572652	-422.617204	33.656
+C	 0.5415107697	 0.9297298425	-0.4124505493	-0.403607
+C	 0.9338288351	-0.5267971547	-0.1399755808	-0.057798
+C	 1.7308537728	-1.1790951597	-1.2531758987	-0.070608
+C	 2.7701391439	-1.8812710635	-0.8074737121	-0.102573
+C	 2.8398008626	-1.8848701356	 0.6977307658	 0.082852
+O	 4.1614840257	-1.7138777803	 1.177197453	-0.444892
+C	 1.8905517547	-0.7199210328	 1.0704896353	-0.10313
+C	 1.2496850382	-0.8714336364	 2.4243079909	 0.131019
+O	 1.6796429045	-1.5982737698	 3.2886773578	-0.260312
+H	 0.0016221034	 1.3644404243	 0.4356551544	 0.116735
+H	 1.4298831031	 1.5429589498	-0.5978691233	 0.124631
+H	-0.1088437215	 1.0036220151	-1.2901734014	 0.119212
+H	 0.0090958138	-1.1024394669	 0.0246648194	 0.085866
+H	 1.4344541831	-1.0846359984	-2.2928290926	 0.098471
+H	 3.4660436942	-2.4531632572	-1.4098646239	 0.106958
+H	 2.4320690882	-2.8324037364	 1.0855159253	 0.08638
+H	 4.1300789774	-1.8865134186	 2.1249545392	 0.290652
+H	 2.524552824	 0.1783716849	 1.1348103737	 0.117148
+H	 0.3440509972	-0.2498688063	 2.6093327573	 0.082995
+19
+0 3455	2.3764335	1.5084411	1.2238269	2.5811	76.3	-0.25037	0.0059	0.25627	1107.7487	0.15741	-422.55505	-422.546622	-422.545678	-422.588006	32.276
+C	 1.4678051185	 1.1282382602	 0.0513746652	-0.396312
+C	 1.120743581	-0.3739405948	 0.082291277	-0.075588
+C	 1.6362130124	-1.0200832964	 1.3426604014	-0.047239
+C	 2.5754047713	-1.9627450597	 1.4009390857	-0.104662
+C	 3.2998527348	-2.5177845929	 0.2054973232	 0.041624
+O	 4.6870794435	-2.1628801137	 0.2319191982	-0.424676
+C	 2.6809375399	-2.0906337753	-1.1120416672	 0.003858
+O	 1.313078532	-2.4508312267	-1.3136051787	-0.267497
+C	 1.6286110909	-1.0636751534	-1.1688968017	 0.057045
+H	 1.0865348379	 1.6348592115	 0.9427867844	 0.121956
+H	 2.5519222798	 1.2796635197	 0.0188995677	 0.115127
+H	 1.0286227173	 1.6136135369	-0.8262278462	 0.120423
+H	 0.0234144793	-0.4573212103	 0.0807903522	 0.099048
+H	 1.1913417776	-0.6571997758	 2.2674008636	 0.093927
+H	 2.8954816251	-2.3542260358	 2.3629890348	 0.097819
+H	 3.2992801418	-3.614525889	 0.2454428602	 0.103582
+H	 4.7318713108	-1.2144083661	 0.3975038077	 0.27738
+H	 3.3311064795	-2.2421807745	-1.9739007516	 0.095735
+H	 1.5163424666	-0.4896241239	-2.0903692758	 0.088451
+19
+0 3456	2.0294379	1.896649	1.5085254	2.6813	75.37	-0.24682	-0.00054	0.24628	991.7989	0.15875	-422.55859	-422.550582	-422.549637	-422.590702	31.93
+O	-3.9339092806	-1.9559172283	 1.0978465553	-0.43071
+C	-2.5285558513	-1.6570483526	 1.2759542168	 0.043442
+C	-2.037761784	-1.1906015184	-0.072612905	-0.063431
+C	-2.1910846931	 0.078287096	-0.4489832719	-0.084818
+C	-2.8666627293	 1.0874924589	 0.4557962487	 0.079085
+O	-4.2824232154	 1.051321195	 0.2586975353	-0.441833
+C	-2.5402576272	 0.840139026	 1.9197759994	-0.039695
+C	-1.1850028594	 0.3456438588	 2.3606819282	-0.325455
+C	-2.3663612842	-0.5949302811	 2.3476411085	-0.04836
+H	-4.2770562087	-2.2600555029	 1.9463418316	 0.280776
+H	-2.0052942804	-2.5782041468	 1.5693225223	 0.072205
+H	-1.6147858248	-1.9332905358	-0.7414917974	 0.09793
+H	-1.8927642009	 0.4060042569	-1.4404388736	 0.099074
+H	-2.569621565	 2.1034909612	 0.1743106385	 0.08178
+H	-4.5462702766	 0.1364225951	 0.4378286716	 0.281544
+H	-3.0728152827	 1.5049360102	 2.5924376098	 0.092265
+H	-0.4156810732	 0.211456839	 1.6092937508	 0.11924
+H	-0.8194697921	 0.67402699	 3.3275085921	 0.110576
+H	-2.7648389711	-0.8853212111	 3.3174470388	 0.076383
+19
+0 3457	2.2628158	1.2371076	1.0928222	1.8894	77.79	-0.24895	-0.03645	0.2125	1243.6824	0.155721	-422.58183	-422.572546	-422.571602	-422.61672	33.656
+C	 1.1326890197	-0.145675083	-1.1199489197	-0.411221
+C	 0.92297544	 0.2153858404	 0.3539367556	-0.041195
+C	 1.3217973845	 1.6936048863	 0.6614079022	 0.092049
+O	 0.3487405	 2.4157880025	 1.4145410057	-0.432247
+C	 2.6280313858	 1.56119476	 1.4027553444	-0.111173
+C	 2.8843312829	 0.301413744	 1.754446479	-0.090588
+C	 1.8177903636	-0.6648670288	 1.2811866312	-0.123377
+C	 1.0483765409	-1.2150747477	 2.4723082446	 0.159746
+O	 1.0700231465	-2.3558478552	 2.8493053874	-0.245761
+H	 0.8590542394	-1.1866929766	-1.317012053	 0.123359
+H	 0.5223154597	 0.4927116283	-1.766617615	 0.12314
+H	 2.1815552409	-0.0140800838	-1.4089301239	 0.123909
+H	-0.1380537631	 0.0996030825	 0.6006587152	 0.088934
+H	 1.4186123173	 2.2679948854	-0.266612889	 0.088554
+H	 0.3755207323	 2.084203539	 2.3192430309	 0.273868
+H	 3.2423432067	 2.4215408567	 1.6441091004	 0.108744
+H	 3.7401970121	-0.0340204765	 2.3302152139	 0.115201
+H	 2.2459062418	-1.5236010488	 0.7534663547	 0.097053
+H	 0.438396769	-0.4425624748	 3.0022414553	 0.061004
+19
+0 3458	2.6232285	1.3156584	0.9890921	2.2308	77.25	-0.24586	-0.03203	0.21383	1224.9351	0.155491	-422.583537	-422.574391	-422.573447	-422.617651	33.624
+C	 0.9213338596	 1.164769298	 0.1806293323	-0.412967
+C	 1.2520617876	-0.3202693963	 0.020535556	-0.033978
+C	 1.9937153145	-0.6958035417	-1.2465187393	-0.073148
+C	 2.918627066	-1.6331230024	-1.0373912055	-0.115085
+C	 2.9354825425	-2.0464274451	 0.4180319909	-0.157537
+C	 4.2711871327	-2.3549351855	 1.049459343	 0.136887
+O	 4.5429183148	-2.0625284019	 2.1898314451	-0.256917
+C	 2.1940351975	-0.8742835609	 1.1086185743	 0.133543
+O	 1.4934715754	-1.2267584133	 2.2791668045	-0.447994
+H	 0.459561601	 1.3470947962	 1.1555564339	 0.132243
+H	 1.8257659408	 1.7791284017	 0.1109715348	 0.115093
+H	 0.2241890336	 1.503441645	-0.5926592005	 0.111979
+H	 0.3136354749	-0.8942531482	 0.0735494972	 0.094272
+H	 1.7568773039	-0.2571513738	-2.2101288245	 0.099009
+H	 3.5520629888	-2.0838845884	-1.793651277	 0.100791
+H	 2.3405041433	-2.969217642	 0.5503255792	 0.120343
+H	 5.0038931494	-2.9010852582	 0.4132843333	 0.084734
+H	 2.9478375018	-0.1026223131	 1.3307719687	 0.07756
+H	 2.1625260418	-1.4436472801	 2.9390794137	 0.291171
+19
+0 3459	2.5177613	1.6481521	1.2315853	1.735	76.21	-0.22205	0.00825	0.2303	1066.2737	0.155683	-422.557642	-422.548676	-422.547732	-422.590511	34.617
+C	-3.2132481067	 0.7838384576	 3.4408099699	-0.495032
+C	-2.3054231639	 1.0491485145	 2.2653737046	 0.223647
+C	-1.0193310372	 1.8592573932	 2.4493249208	-0.350799
+C	-0.93755921	 0.4057091594	 2.1031928554	 0.326512
+O	-0.3570054779	-0.4253553614	 3.0651751432	-0.478345
+C	-0.7533617513	 0.0425916863	 0.6265607598	 0.009382
+O	 0.4048678374	 0.5968210492	 0.0146866497	-0.435769
+C	-2.0008230341	 0.5966427117	-0.0259131312	-0.09175
+C	-2.8443905078	 1.1144892139	 0.8680564996	-0.136551
+H	-3.8583886528	-0.0836863695	 3.2591944058	 0.11373
+H	-2.625115561	 0.5831261052	 4.3410695978	 0.127999
+H	-3.8636262232	 1.641133909	 3.6476308242	 0.121253
+H	-0.7458320444	 2.5935493362	 1.700070562	 0.123767
+H	-0.747849636	 2.1019484366	 3.4719110933	 0.115964
+H	-0.7868071319	-1.2870451821	 3.0152277569	 0.281698
+H	-0.7229650503	-1.0602908211	 0.5351318473	 0.05561
+H	 1.1645284415	 0.3103695854	 0.5336848878	 0.287301
+H	-2.1386461512	 0.5702048227	-1.0998442369	 0.103989
+H	-3.8051680291	 1.5639761332	 0.6374855002	 0.097395
+19
+0 3460	2.3740652	1.6897416	1.2761232	2.1999	76.27	-0.23672	0.00431	0.24103000000000002	1050.9026	0.155915	-422.559509	-422.550602	-422.549658	-422.592325	34.563
+C	-0.9105731996	-0.8690009747	 3.0123401983	-0.467795
+C	-1.4465196828	 0.268683629	 2.1788737153	 0.233263
+C	-2.8863615669	 0.7054848734	 2.3684562605	-0.388644
+C	-1.7540211234	 1.6326276416	 2.7723692345	 0.328169
+O	-1.5060251838	 1.9090125856	 4.1167831102	-0.47191
+C	-1.3673237003	 2.6269666667	 1.7269398297	-0.135439
+C	-0.9337101128	 2.0276164796	 0.6153792214	-0.14394
+C	-0.8562944236	 0.5226712763	 0.7749353581	 0.037752
+O	 0.4694363267	 0.0318171012	 0.6064635459	-0.426357
+H	-1.2267899329	-0.7573359721	 4.0527619987	 0.122041
+H	-1.2674612571	-1.8361978649	 2.6420555875	 0.116485
+H	 0.1817148093	-0.8917952963	 2.9871378142	 0.117941
+H	-3.4912347834	 0.9757352833	 1.5080285006	 0.109257
+H	-3.4236296729	 0.2095538377	 3.1727647695	 0.108437
+H	-2.2917600803	 2.3191499697	 4.4924130706	 0.286044
+H	-1.4859514149	 3.6950581721	 1.8745026403	 0.099499
+H	-0.6504322734	 2.5161344604	-0.3095356559	 0.102129
+H	-1.4429930814	-0.0011972911	 0.0105223355	 0.094224
+H	 1.0498065235	 0.6045912426	 1.120784405	 0.278844
+19
+0 3461	2.4928854	1.7149488	1.2454118	2.3012	75.64	-0.24572	-0.00729	0.23843	1063.0497	0.155387	-422.561687	-422.55275	-422.551806	-422.594594	34.217
+C	-3.201743084	 0.9334008158	 3.4573951106	-0.497097
+C	-2.2885477079	 0.9033179805	 2.2661805599	 0.325578
+O	-1.0171039112	 1.6183323998	 2.4062519111	-0.349432
+C	-1.0009260628	 0.197902177	 2.1573884144	 0.29602
+C	-0.3357900333	-0.6681767516	 3.187106155	-0.499685
+C	-0.7351803617	-0.0629778646	 0.6609617612	 0.042459
+O	 0.4577815364	 0.5665976563	 0.2219465697	-0.436291
+C	-1.9810094728	 0.4921198799	-0.0121229554	-0.130717
+C	-2.8285507216	 1.0245388335	 0.8676866456	-0.123833
+H	-3.9613380797	 0.1482501203	 3.3792620076	 0.127962
+H	-2.6454232014	 0.7929519811	 4.3862596034	 0.133079
+H	-3.7211601021	 1.8962222547	 3.5163154253	 0.13167
+H	-0.647565565	-1.7122138982	 3.0764304997	 0.123139
+H	 0.7509885093	-0.6265578033	 3.0552152268	 0.140188
+H	-0.5702015189	-0.3361151886	 4.2008148598	 0.127754
+H	-0.5988814173	-1.1321392155	 0.4601563605	 0.088057
+H	 0.3963256526	 1.4743487539	 0.5503500501	 0.288173
+H	-2.0838257605	 0.5028371519	-1.0910654517	 0.108962
+H	-3.7695881581	 1.5136418672	 0.6423976863	 0.104015
+19
+0 3462	2.536158	1.6459308	1.2464325	2.2824	75.82	-0.22294	0.01506	0.238	1061.6728	0.155316	-422.555796	-422.546788	-422.545844	-422.588611	34.864
+C	 0.0845204361	 0.1981682108	 0.0963613857	-0.400933
+C	 1.5821612928	-0.1360445484	 0.0797258719	-0.094923
+C	 2.0523161962	-0.8784649013	-1.1611590265	-0.079638
+C	 2.7628891158	-1.9723551524	-0.8758707948	-0.150668
+C	 2.8422193807	-2.1901265022	 0.5984812995	 0.363973
+O	 4.0243968439	-2.6511198494	 1.1651376738	-0.484892
+C	 1.5139730441	-2.4678999538	 1.2955988227	-0.402988
+C	 2.0560096757	-1.0558420408	 1.2097955804	 0.289166
+O	 2.5991950777	-0.4714787202	 2.3599872949	-0.478474
+H	-0.1854855666	 0.7257407129	 1.0174145567	 0.110809
+H	-0.1832895269	 0.8441215059	-0.74599522	 0.115398
+H	-0.5272702054	-0.7070616641	 0.0309200403	 0.118634
+H	 2.1399939766	 0.8075542817	 0.1733404928	 0.092297
+H	 1.8028607065	-0.5354459793	-2.1595585202	 0.095464
+H	 3.2158356308	-2.6503765219	-1.5894931703	 0.104198
+H	 4.2720870245	-2.0056503032	 1.8406166005	 0.290567
+H	 0.6475857266	-2.7593888363	 0.71144348	 0.112498
+H	 1.6050941704	-2.9378021676	 2.2704831964	 0.110068
+H	 1.9295857106	-0.4610168903	 3.0512968863	 0.289443
+19
+0 3463	3.4341357	1.4164234	1.2412666	2.3652	75.46	-0.23052	-0.00411	0.22641	1063.176	0.157114	-422.554049	-422.545937	-422.544993	-422.586025	32.246
+C	-4.9032460344	 1.5442340161	 0.6717222841	-0.491172
+C	-3.4590318567	 1.1156421002	 0.7470833532	 0.384383
+C	-2.4415871094	 1.5248528382	-0.3551141073	-0.289331
+C	-1.9310213702	 0.0912380287	-0.1075233256	 0.049471
+O	-3.2549405496	-0.2889960011	 0.3550109564	-0.323611
+C	-0.9711411201	 0.0040871327	 1.0951217925	 0.089463
+O	 0.3332413881	 0.4811024627	 0.7784028144	-0.435516
+C	-1.5904415336	 0.7485859296	 2.2613806677	-0.130613
+C	-2.7883316452	 1.3099000505	 2.0988468405	-0.085941
+H	-5.5042919974	 0.998977672	 1.4070849432	 0.131798
+H	-4.9954798528	 2.615072858	 0.8829609451	 0.120349
+H	-5.3109810261	 1.3461325595	-0.3226170105	 0.125432
+H	-2.9136718323	 1.613418354	-1.3357673268	 0.107247
+H	-1.7890790353	 2.3798638198	-0.1647987917	 0.087408
+H	-1.5843575336	-0.5053578081	-0.9544539076	 0.080866
+H	-0.8295316971	-1.0525370935	 1.3519763181	 0.102895
+H	 0.27718266	 1.4383136349	 0.6830903303	 0.28024
+H	-1.0200666025	 0.8156938366	 3.183196681	 0.101875
+H	-3.2865332618	 1.883408379	 2.8747393531	 0.094756
+19
+0 3464	3.327112	1.387332	1.2232124	1.6133	75.52	-0.24406	0.00205	0.24611	1060.4968	0.157732	-422.563164	-422.555157	-422.554212	-422.594963	32.391
+O	 0.3441139395	-0.0085497051	 0.3176817851	-0.439962
+C	-0.8018082424	 0.8365409156	 0.2320030111	 0.108267
+C	-2.0917861157	 0.0504610634	 0.3366510674	-0.126345
+C	-2.9808504561	 0.394306508	 1.2687015789	-0.136565
+C	-2.6677145582	 1.5717552958	 2.1760607774	 0.398533
+O	-3.6998354001	 1.9096739237	 3.0624295259	-0.496004
+C	-1.2025564262	 1.3998153024	 2.6875504036	-0.290297
+C	-0.7862161344	 1.9541342688	 1.2922676163	-0.057447
+C	-2.1389026302	 2.7275587895	 1.2874844609	-0.2584
+H	 0.2707625849	-0.5090451534	 1.1378508553	 0.276365
+H	-0.7223029266	 1.2907092446	-0.7643774576	 0.093816
+H	-2.24189757	-0.7785467678	-0.3481981157	 0.09836
+H	-3.934035666	-0.1123104569	 1.3960950937	 0.091869
+H	-3.9189997784	 1.1317545553	 3.5869157106	 0.275333
+H	-0.9791697824	 2.1164694478	 3.4817516076	 0.104809
+H	-0.8778458827	 0.3980304312	 2.9856080986	 0.075623
+H	 0.1385645919	 2.5283859036	 1.2271998863	 0.075982
+H	-2.0709987106	 3.6595525894	 1.8546359183	 0.106626
+H	-2.6434316962	 2.9000636342	 0.3341018061	 0.099437
+19
+0 3465	2.5262505	1.5177448	1.3246807	0.7796	76.33	-0.24421	0.00939	0.2536	1063.8467	0.156971	-422.55458	-422.546183	-422.545239	-422.587252	32.131
+C	-2.5653481878	 2.2081387156	 3.0532900157	-0.480114
+C	-2.469470715	 0.9053850288	 2.2726411748	 0.240143
+C	-2.9115399224	-0.3954673542	 3.0013230653	-0.108161
+O	-1.6672942618	-1.0481628841	 2.6841590208	-0.295762
+C	-1.1093866276	 0.1625418002	 2.1280914903	 0.045735
+C	-0.7873770713	 0.0286557372	 0.6264800088	 0.040521
+O	 0.2956989181	 0.8485729977	 0.1962861831	-0.434966
+C	-2.0559259374	 0.5130266791	-0.0308985587	-0.070387
+C	-2.9415458578	 0.9883067449	 0.8447176256	-0.13006
+H	-2.1484193074	 2.0978723072	 4.059640701	 0.118579
+H	-2.0213915044	 3.0097285779	 2.5437809618	 0.130352
+H	-3.6088819306	 2.527561913	 3.1572617649	 0.117734
+H	-3.0420660185	-0.2771001165	 4.0857800719	 0.093249
+H	-3.7759698209	-0.9274508097	 2.5876021767	 0.101841
+H	-0.2552272699	 0.5325126018	 2.7085189473	 0.06649
+H	-0.5906691526	-1.0306854204	 0.4011890753	 0.08362
+H	 1.1147210684	 0.4201162402	 0.4658819703	 0.283355
+H	-2.1866125746	 0.4779249183	-1.1063781844	 0.101986
+H	-3.9174355064	 1.3895951329	 0.5877499395	 0.095845
+19
+0 3466	2.6299601	1.4718277	1.3209655	1.1193	75.85	-0.24388	-0.00132	0.24256000000000003	1063.1734	0.157041	-422.557801	-422.549455	-422.548511	-422.590394	32.192
+C	-2.727986517	 1.3329144402	-1.9817526018	-0.456269
+C	-2.6988433684	 1.0399464579	-0.4958998146	 0.409996
+O	-3.9773760574	 0.4919954065	-0.0453036649	-0.327422
+C	-3.3177138667	-0.6118281105	 0.6065238117	-0.0902
+C	-1.9304012243	-0.1840146793	 0.0850632157	-0.170456
+C	-0.9165684917	 0.3451283195	 1.1171236632	 0.084622
+O	 0.4457819206	 0.1994994434	 0.7202729171	-0.43397
+C	-1.3191536259	 1.797140415	 1.2716890546	-0.129868
+C	-2.2416728865	 2.1767697646	 0.3861047501	-0.113063
+H	-3.005278978	 0.4367402329	-2.5435056367	 0.124581
+H	-3.4659816094	 2.1123787931	-2.2000407454	 0.12833
+H	-1.7505167625	 1.6815416593	-2.331658058	 0.113332
+H	-3.4304027008	-0.5761042765	 1.6987091919	 0.097862
+H	-3.691378472	-1.5753755117	 0.2427085369	 0.104705
+H	-1.4667864615	-0.8703256211	-0.6239379237	 0.08277
+H	-0.9831217712	-0.2076690912	 2.0615341667	 0.09205
+H	 0.5977533941	 0.8084694265	-0.0109820183	 0.274331
+H	-0.8531378805	 2.4368635527	 2.0137076495	 0.104723
+H	-2.662262761	 3.1735204586	 0.2999157261	 0.103947
+19
+0 3467	2.5598968	1.514429	1.3196725	2.3985	76.42	-0.24592	0.00341	0.24933	1068.6078	0.156944	-422.556495	-422.548175	-422.547231	-422.589026	32.145
+C	 1.9267581196	-0.4368710131	-1.23194446	-0.403797
+C	 1.4213675228	 0.1236211102	 0.1057438759	-0.050115
+C	 1.9109600563	 1.5335117773	 0.3784096876	-0.058828
+C	 2.683250749	 1.6322990981	 1.4617266916	-0.190312
+C	 2.8649518274	 0.3103543928	 2.1571639505	 0.320784
+O	 4.1952069896	-0.0328675044	 2.451122536	-0.473941
+C	 1.9003796884	 0.0203115899	 3.3223817798	-0.105522
+O	 0.9729587779	-0.6353577472	 2.4330397498	-0.297381
+C	 1.9239499055	-0.6370519365	 1.343046638	 0.051658
+H	 1.5391121188	-1.4458496224	-1.4054044719	 0.121695
+H	 1.6112996906	 0.1946061249	-2.0687823184	 0.117285
+H	 3.0210917652	-0.4860592276	-1.2497036802	 0.111982
+H	 0.3243117213	 0.0923071205	 0.1151331119	 0.099847
+H	 1.6444723276	 2.3642412968	-0.2681351312	 0.099201
+H	 3.1385635637	 2.5424796633	 1.8385588222	 0.099638
+H	 4.7443901735	 0.2390144526	 1.7078774017	 0.277881
+H	 2.3352005306	-0.6731309845	 4.0538008082	 0.105547
+H	 1.4499892875	 0.8750438828	 3.8383151488	 0.103204
+H	 2.3014781548	-1.6449484036	 1.1344267097	 0.071174
+19
+0 3468	2.5355302	1.5029569	1.3143603	2.7154	76.2	-0.24303	0.01036	0.25339	1061.8848	0.156996	-422.562674	-422.554293	-422.553348	-422.595199	32.761
+O	 0.3233248454	 0.3104585484	-0.2303304955	-0.439875
+C	-0.7419788754	 0.5021236513	 0.6958156995	 0.070305
+C	-2.0482388423	 0.2722246929	-0.0288943478	-0.067793
+C	-2.7828080285	 1.3770847917	-0.1395535164	-0.099248
+C	-2.1371628844	 2.580076667	 0.4925392726	 0.390563
+O	-1.9984140773	 3.5852240036	-0.483263071	-0.483128
+C	-2.7184192505	 2.997571312	 1.8763755696	-0.293392
+C	-1.6566250048	 2.1031182942	 2.5697406025	-0.239196
+C	-0.8953181275	 1.9434780066	 1.2199573694	-0.113114
+H	 1.1477764107	 0.3104532076	 0.2666331976	 0.278785
+H	-0.6311950115	-0.1986335208	 1.5401084162	 0.064428
+H	-2.3101862388	-0.7025648672	-0.4245651663	 0.100361
+H	-3.7432016822	 1.4541238018	-0.6380982428	 0.100941
+H	-1.6659158713	 4.378632894	-0.0511103339	 0.274687
+H	-2.542716349	 4.0628967901	 2.0652954458	 0.088863
+H	-3.7740429102	 2.7862403592	 2.0652158625	 0.102612
+H	-1.1010328048	 2.567139001	 3.3870632987	 0.099289
+H	-2.0654985426	 1.1546192373	 2.9284750914	 0.104609
+H	 0.0305443752	 2.5184236694	 1.1498818879	 0.060302
+19
+0 3469	2.7749042	1.4270291	1.0719085	2.1892	77.17	-0.24605	-0.00528	0.24076999999999998	1146.143	0.156252	-422.551048	-422.542324	-422.54138	-422.584438	33.16
+C	 0.5565622579	-0.1028449255	-0.7352131132	-0.406353
+C	 0.9317266769	 0.2475055805	 0.7017816139	-0.107911
+C	 2.0521174282	-0.6410017087	 1.3177206838	 0.084069
+O	 1.5694149954	-1.7549314229	 2.0563285293	-0.433089
+C	 2.8784081881	 0.3334252168	 2.1293447935	-0.140827
+C	 2.536234284	 1.6011298295	 1.9015157137	-0.134482
+C	 1.4327197841	 1.6847906484	 0.9072362097	 0.403623
+C	 0.6233879657	 2.8846325322	 0.6659516429	-0.250942
+O	 1.6552913659	 2.5169586778	-0.2505582882	-0.270242
+H	 0.2294904785	-1.145388559	-0.7940815113	 0.121814
+H	-0.2559989275	 0.5294547642	-1.1054966513	 0.116189
+H	 1.4088189678	 0.033525194	-1.4066548855	 0.130852
+H	 0.0520867184	 0.109950847	 1.3455250031	 0.075011
+H	 2.6653751008	-1.0926889916	 0.5272562948	 0.100657
+H	 1.088064012	-1.411012336	 2.8174641572	 0.274922
+H	 3.6662157092	-0.007686668	 2.7919121823	 0.107668
+H	 3.0029294289	 2.4833270093	 2.3245883994	 0.108374
+H	-0.3952709728	 2.7746928482	 0.2924011708	 0.110568
+H	 0.8056976587	 3.7926777438	 1.240887565	 0.110099
+19
+0 3470	2.8695742	1.457961	1.0863961	2.0003	77.52	-0.25021	-0.0032	0.24700999999999998	1141.1976	0.156496	-422.553417	-422.544885	-422.543941	-422.586356	32.841
+C	 0.2943393732	 0.7587829682	-0.2278398586	-0.41316
+C	 0.9086500249	-0.6338968453	-0.0689368096	-0.051843
+C	 1.6999444604	-1.1247444657	-1.2636644567	-0.074372
+C	 2.8374082114	-1.7353698493	-0.9226574692	-0.166161
+C	 2.9877243229	-1.7412345529	 0.5520014899	 0.354615
+C	 4.1447044383	-2.1686430268	 1.3374419198	-0.24671
+O	 2.992799	-3.021666861	 1.2397549341	-0.290765
+C	 1.9518281955	-0.7376823266	 1.0825174923	 0.051821
+O	 1.4463148729	-1.0975348638	 2.3424801321	-0.444003
+H	-0.2217077608	 1.0565606931	 0.6901073795	 0.130946
+H	 1.065752446	 1.5071192927	-0.4417794324	 0.115327
+H	-0.4326008354	 0.7838331511	-1.0463767977	 0.112633
+H	 0.1002651748	-1.3481712475	 0.1438642211	 0.094077
+H	 1.3471729575	-0.9947201665	-2.2819873511	 0.101919
+H	 3.5462127825	-2.2045639821	-1.5939808089	 0.106348
+H	 5.0376455452	-2.5439137087	 0.8392964034	 0.117946
+H	 4.3085325838	-1.7268612104	 2.3196781009	 0.122521
+H	 2.4365926515	 0.2429063459	 1.1872645056	 0.087832
+H	 1.5793362653	-2.0548386245	 2.4120329154	 0.291031
+19
+0 3471	2.796949	1.4296864	1.0722125	1.3999	78.18	-0.22878	0.00844	0.23722000000000001	1144.1564	0.156712	-422.556068	-422.547398	-422.546454	-422.589222	33.554
+O	-0.5159261193	 2.8947763322	 1.7654150468	-0.439493
+C	-1.2950854723	 1.9940911592	 0.9876858417	 0.054463
+C	-2.593841952	 2.5454699773	 0.4465598662	-0.160504
+C	-2.8044833905	 2.1434519001	-0.8093207459	-0.133229
+C	-1.6932023797	 1.2988138044	-1.3165463994	 0.320906
+C	-1.9513890526	-0.0543589251	-1.9500224012	-0.301921
+C	-1.417436356	 1.0785799806	-2.7830581695	-0.323213
+C	-0.5724360478	 1.4970736218	-0.293908033	 0.022175
+O	 0.2038966286	 0.3292414825	-0.1306794393	-0.440749
+H	-0.4339073859	 3.7118610745	 1.2603562893	 0.274392
+H	-1.4728266178	 1.1391931058	 1.6535274709	 0.101983
+H	-3.2650586648	 3.1450067745	 1.0506339641	 0.099877
+H	-3.6827914776	 2.3642986877	-1.4073707292	 0.100641
+H	-1.2697933796	-0.8508849096	-1.6776996292	 0.139904
+H	-2.9836886058	-0.3573318201	-2.088720421	 0.109461
+H	-0.376896447	 1.0322500906	-3.088588177	 0.118392
+H	-2.0775093277	 1.5512051869	-3.5035320426	 0.107436
+H	 0.0652644309	 2.3317902999	-0.6366544179	 0.058605
+H	 0.8961618269	 0.5299771065	 0.5078634763	 0.290874
+19
+0 3472	2.8492038	1.3065521	1.1763227	2.6372	76.97	-0.22864	0.00484	0.23348000000000002	1128.1685	0.156186	-422.558873	-422.550173	-422.549229	-422.591485	34.075
+C	-3.8392052705	 1.0026193802	 0.4595474468	-0.462528
+C	-2.7446508378	 2.0242791472	 0.2627776338	 0.398932
+O	-3.0443858372	 2.9786334574	-0.7256071123	-0.462937
+C	-1.866897259	 2.5644376689	 1.4032058472	-0.167535
+C	-1.714223088	 1.7303774501	 2.6221567037	-0.08028
+C	-1.1532604697	 0.5436058846	 2.3585995416	-0.153335
+C	-0.7603307718	 0.4139745411	 0.9009697587	 0.095098
+O	 0.641662826	 0.23676694	 0.7182565441	-0.431458
+C	-1.2800157494	 1.7139786513	 0.2737267178	-0.143602
+H	-3.605027546	 0.2937093216	 1.2546951141	 0.131843
+H	-4.7799938672	 1.50164569	 0.7250513568	 0.104092
+H	-4.0054706191	 0.4485497086	-0.4698133216	 0.128629
+H	-3.8572259604	 3.4261063089	-0.4639012887	 0.279556
+H	-1.7425735468	 3.6411296591	 1.441477419	 0.088682
+H	-2.0617800935	 2.0521481385	 3.5981891839	 0.100102
+H	-0.9784256465	-0.2541463802	 3.0711163692	 0.099787
+H	-1.2072173341	-0.4704603412	 0.4314727111	 0.095662
+H	 1.0790291698	 0.9291020958	 1.226801617	 0.275367
+H	-0.6868692086	 2.157673298	-0.5172150223	 0.103924
+19
+0 3473	2.2781415	2.0527906	1.3687815	2.1164	74.99	-0.22975	-0.00529	0.22446000000000002	987.9605	0.157147	-422.554719	-422.546613	-422.545669	-422.58667	32.218
+C	 1.7753994822	-2.6493284576	-0.4958660257	-0.480703
+C	 0.7841977804	-1.6788541594	-1.0870213603	 0.372799
+C	 1.0638733766	-1.010407498	-2.4571145332	-0.289629
+C	-0.4602383819	-1.2217227142	-2.6245971868	 0.042827
+O	-0.3878743168	-2.3295382154	-1.6759213928	-0.322536
+C	-1.195966786	-0.0740939593	-1.9664643265	-0.061786
+C	-0.8549040081	 0.1789381731	-0.7032042635	-0.115531
+C	 0.2411428657	-0.6485161779	-0.0620990709	 0.061866
+O	 1.2749247836	 0.1717951902	 0.4801317051	-0.436007
+H	 1.3001962116	-3.2355514991	 0.2984824095	 0.126143
+H	 2.1466352109	-3.3391033847	-1.2584129112	 0.116605
+H	 2.6165018205	-2.1042457012	-0.0589246353	 0.134096
+H	 1.452028378	 0.0097428387	-2.4976076942	 0.087203
+H	 1.650423025	-1.6702124775	-3.0995068407	 0.107309
+H	-0.8644241917	-1.5278160658	-3.591060003	 0.077179
+H	-1.9440987202	 0.4939072351	-2.5095570363	 0.098024
+H	-1.3029686151	 0.9681535911	-0.1065965855	 0.1025
+H	-0.1551273671	-1.20380835	 0.7975522891	 0.099238
+H	 1.5245141324	 0.809101172	-0.1982134678	 0.280402
+19
+0 3474	2.3539864	1.9976936	1.3648621	2.3466	75.26	-0.24208	0.01155	0.25362999999999997	979.6769	0.158298	-422.566937	-422.559187	-422.558243	-422.598403	31.864
+O	 0.32449584	 0.2018420886	 0.0397345645	-0.454577
+C	-0.8832750398	 0.4512851133	 0.7452533135	 0.08775
+C	-2.0492418137	 0.2802034301	-0.1972561367	-0.080595
+C	-3.0050843833	-0.5958170594	 0.1094482068	-0.061005
+C	-2.8559926016	-1.3889229331	 1.3890295342	-0.073244
+C	-1.3888977049	-1.9274996362	 1.453740192	-0.279001
+C	-1.0264332495	-0.5035474231	 1.9454915778	 0.366958
+O	 0.1110145619	-0.2902442874	 2.7488649763	-0.508625
+C	-2.4595828649	-0.4044167442	 2.5362553904	-0.280718
+H	 1.0175590013	 0.1888569702	 0.7113992936	 0.286877
+H	-0.873206654	 1.481040723	 1.1452864402	 0.073178
+H	-2.0576604725	 0.8802037717	-1.1010022545	 0.099461
+H	-3.8714139413	-0.7530816989	-0.5254086304	 0.092041
+H	-3.6714420923	-2.0887780286	 1.5677909851	 0.066965
+H	-1.2684772233	-2.6643259156	 2.2558453967	 0.08134
+H	-0.9255389629	-2.283229448	 0.5325006061	 0.115706
+H	 0.1526382494	-0.9876177746	 3.4106264743	 0.279307
+H	-2.511231609	-0.8780991374	 3.522422002	 0.086968
+H	-2.9483768395	 0.5724287395	 2.5643647883	 0.101215
+19
+0 3475	1.9997876	1.8539139	1.5628448	2.7977	74.89	-0.24624	-0.01194	0.23429999999999998	997.59	0.158089	-422.558371	-422.550345	-422.549401	-422.590367	31.719
+C	 1.0825768489	 0.8572853956	-0.2017651851	-0.40936
+C	 0.9304881221	-0.6453432978	 0.0766914076	-0.057108
+C	 1.7363469667	-1.0226140245	 1.3029781012	 0.052758
+O	 2.0473793731	-2.4076547687	 1.4833942353	-0.275346
+C	 3.1232163528	-1.4956558351	 1.1209866384	-0.007852
+C	 3.6550693485	-1.6125514798	-0.2578519831	-0.043286
+C	 2.8306744141	-1.6082304579	-1.3086494742	-0.107193
+C	 1.3283240764	-1.522017101	-1.136803382	 0.070974
+O	 0.7556463876	-2.823555579	-1.0396516214	-0.4447
+H	 0.7872977534	 1.4523001696	 0.6687327332	 0.117213
+H	 2.1189531546	 1.110844534	-0.4458079359	 0.126102
+H	 0.4511078589	 1.1617327584	-1.0418339419	 0.121966
+H	-0.1254146921	-0.870624465	 0.2711602109	 0.093606
+H	 1.4796099241	-0.5022709822	 2.2268073506	 0.095721
+H	 3.8419554078	-1.352305473	 1.924094462	 0.097817
+H	 4.7299051248	-1.7074874179	-0.3784321181	 0.098081
+H	 3.2186190181	-1.7253043609	-2.3159537664	 0.102926
+H	 0.8834006403	-1.0842334571	-2.0367827036	 0.082114
+H	 1.1319633698	-3.2071023678	-0.2347456176	 0.285567
+19
+0 3476	2.3241816	1.7231294	1.3394427	2.617	75.1	-0.24855	-0.00638	0.24217	1035.963	0.157754	-422.552144	-422.543918	-422.542973	-422.584804	31.885
+C	 1.3621569528	-0.61832081	-1.0346435841	-0.402587
+C	 1.2352617954	 0.1340876442	 0.3046498438	-0.055783
+C	 1.8567754575	-0.6701448244	 1.4244767208	-0.068237
+C	 3.1070270686	-0.4870261959	 1.8513775489	-0.089917
+C	 3.9730101224	 0.5532736151	 1.2431458757	 0.025682
+O	 3.8021662652	 1.9190907484	 1.7029126523	-0.265074
+C	 3.3507219806	 1.5719720194	 0.3863377439	-0.013651
+C	 1.8182395244	 1.5658716127	 0.2323205728	 0.09638
+O	 1.2291201762	 2.3984525496	 1.2119325062	-0.442831
+H	 0.9367537557	-1.6239629317	-0.9622071668	 0.119893
+H	 0.8354716133	-0.0852927801	-1.8332687363	 0.118432
+H	 2.4119763505	-0.7270164474	-1.3275046531	 0.120147
+H	 0.1698958687	 0.2656794244	 0.5247410135	 0.094514
+H	 1.2467167068	-1.4552122997	 1.8654108916	 0.098765
+H	 3.5281092081	-1.0969714342	 2.6450599533	 0.096676
+H	 5.0189187445	 0.2940767204	 1.0849059112	 0.099793
+H	 3.9309748398	 2.0281073784	-0.4131798673	 0.100668
+H	 1.5617377158	 1.991943514	-0.7452766819	 0.074888
+H	 1.8519611737	 2.4145401069	 1.9523150753	 0.292245
+19
+0 3477	2.3651954	1.750703	1.1886415	2.6514	76.23	-0.24821	-0.00236	0.24584999999999999	1064.9847	0.158633	-422.559113	-422.551053	-422.550109	-422.59142	32.026
+O	 0.2399659658	 0.9560038439	 2.9969562112	-0.446272
+C	-1.0176283698	 0.4694008219	 2.4836740817	 0.047298
+C	-2.1625492569	 1.3413738716	 2.9290837372	-0.11479
+C	-2.5627120145	 2.3973715033	 2.2139960764	-0.064911
+C	-1.9618853803	 2.747699158	 0.9056549901	-0.082868
+C	-2.4446181189	 2.0545158298	-0.3557830613	-0.285547
+C	-1.1088020349	 1.6918107214	 0.2384901444	-0.068518
+C	-0.9226659564	 0.3407968085	 0.947422133	 0.101867
+O	 0.3124239999	-0.2522729218	 0.602559699	-0.4435
+H	 0.2159497854	 1.9172501529	 2.9289622073	 0.285671
+H	-1.1068748689	-0.5368184047	 2.9044658805	 0.094345
+H	-2.6246881824	 1.1138704366	 3.8850314959	 0.096337
+H	-3.3606091961	 3.0365535791	 2.5865390204	 0.097654
+H	-1.675844919	 3.7898766367	 0.7873359085	 0.092046
+H	-3.2507383825	 1.3345334493	-0.2509400362	 0.116276
+H	-2.4678700455	 2.6301617429	-1.2746872731	 0.114057
+H	-0.2244987885	 2.0179566756	-0.2983809539	 0.093747
+H	-1.7089606072	-0.3501537251	 0.6193838242	 0.084926
+H	 0.9389445307	 0.0783781898	 1.2632749448	 0.282182
+19
+0 3478	2.1741034	1.8178991	1.4179303	0.8391	75.13	-0.24857	-0.00388	0.24469000000000002	1012.3454	0.157138	-422.552526	-422.54417	-422.543226	-422.585319	32.038
+C	 0.1018307711	 1.2348755282	-3.2502273711	-0.495291
+C	 0.3370664379	 0.0531881838	-2.3247283282	 0.263596
+C	 1.4660299041	-0.9135453553	-2.7683219207	-0.11776
+O	 0.5346951904	-1.9828850095	-3.0358931168	-0.296711
+C	-0.5601527989	-1.201806727	-2.488982952	 0.053502
+C	-0.9284885436	-1.598705472	-1.0852637147	-0.089735
+C	-0.4662674536	-0.7255161696	-0.1899369307	-0.126985
+C	 0.3005352031	 0.4208896777	-0.8135397895	 0.022492
+O	 1.5675801319	 0.657570452	-0.2120874996	-0.430458
+H	-0.8538732802	 1.7236771357	-3.0293580816	 0.118414
+H	 0.8941076375	 1.9822074936	-3.128536204	 0.129374
+H	 0.0869372165	 0.9251241466	-4.3002380182	 0.121322
+H	 2.009502255	-0.6133531484	-3.671576641	 0.105336
+H	 2.1996075898	-1.1863643287	-1.9982394851	 0.079926
+H	-1.4052151485	-1.1649317521	-3.1862366515	 0.077837
+H	-1.4874623397	-2.5006894317	-0.8613829314	 0.10742
+H	-0.5915252348	-0.7919300052	 0.8862241198	 0.1065
+H	-0.2317876224	 1.3713801462	-0.6789071459	 0.091258
+H	 2.0102416143	-0.1923872442	-0.1135875176	 0.279963
+19
+0 3479	2.1295737	1.939391	1.4976542	2.746	75.34	-0.24574	0.00855	0.25428999999999996	987.7976	0.157657	-422.560027	-422.551982	-422.551038	-422.592181	31.574
+C	 1.0669314817	-2.7204602614	-0.3738056837	-0.468396
+C	 0.7446950252	-1.4778387905	-1.1715752258	 0.395297
+O	 1.9470489253	-0.9035773318	-1.7789973961	-0.33672
+C	 1.4514287773	-1.1503885379	-3.1159289031	-0.084039
+C	 0.0736198006	-1.5868626889	-2.5685258328	-0.16192
+C	-0.9727191693	-0.5059834252	-2.5554090951	-0.091752
+C	-1.0075748045	 0.1564746924	-1.3994831406	-0.105997
+C	-0.0127479444	-0.3672015418	-0.3827077837	 0.051292
+O	 0.8748035193	 0.6112220203	 0.120889918	-0.437313
+H	 1.6822401287	-2.4549578972	 0.4923186496	 0.138425
+H	 0.1475420498	-3.1908955996	-0.0087491093	 0.120508
+H	 1.6161962679	-3.4495309673	-0.9766755334	 0.118012
+H	 1.4674668416	-0.2471316005	-3.7350134079	 0.10632
+H	 2.0265785673	-1.9434256898	-3.6092437597	 0.103331
+H	-0.283754741	-2.5661672808	-2.8948022749	 0.081875
+H	-1.5938412449	-0.2926394649	-3.4194491724	 0.099632
+H	-1.6573757245	 0.9938525276	-1.1702953857	 0.103583
+H	-0.5249212401	-0.7859781302	 0.4935471055	 0.080578
+H	 1.5652133837	 0.6926771776	-0.5541899089	 0.287287
+19
+0 3480	2.5087356	1.7796012	1.2826965	0.7044	75.49	-0.24508	0.00802	0.2531	1030.6346	0.15698	-422.552819	-422.544515	-422.543571	-422.585416	32.097
+C	-0.046569459	 0.1166186317	 0.0945037782	-0.389031
+C	 1.4879551298	 0.0552973634	 0.0257923735	-0.089749
+C	 2.1241727297	 1.4299088733	 0.0471193528	-0.066644
+C	 2.8825717475	 1.6646113191	 1.119488781	-0.090694
+C	 2.9613808777	 0.4613813102	 2.0111693805	 0.011131
+O	 4.1980246843	-0.2943439793	 1.8638910757	-0.294883
+C	 3.5530029199	-1.265468514	 1.0143325016	-0.138145
+C	 2.1556355285	-0.6309951029	 1.2416848462	 0.345871
+O	 1.2285419733	-1.4213314859	 1.9389829796	-0.482134
+H	-0.3799859523	 0.6221278508	 1.0048384249	 0.12144
+H	-0.4387352076	 0.6685780496	-0.765879607	 0.105878
+H	-0.4781205769	-0.8865329677	 0.0887356848	 0.129196
+H	 1.761829383	-0.4739775734	-0.8977432949	 0.081174
+H	 1.9355844695	 2.146831898	-0.7464599256	 0.098795
+H	 3.4127219088	 2.5872576702	 1.3269525935	 0.101352
+H	 2.7389558049	 0.6451534559	 3.0688719313	 0.075219
+H	 3.9273396647	-1.2338400741	-0.01692876	 0.101381
+H	 3.6567762306	-2.2875857959	 1.4019823932	 0.093704
+H	 1.6695727537	-1.8008773589	 2.7063086609	 0.286138
+19
+0 3481	2.3881163	1.7736318	1.3233219	2.9767	75.42	-0.2459	0.0147	0.2606	1022.826	0.157237	-422.561784	-422.553436	-422.552492	-422.594503	32.599
+O	 0.2526010184	-0.2126920294	 0.4571576539	-0.438157
+C	-0.9753628521	 0.3779435177	 0.8240504679	 0.071117
+C	-2.0349456579	 0.3380721227	-0.2596589337	-0.108619
+C	-2.6571454249	 1.5052429554	-0.4288108193	-0.089894
+C	-2.1194283699	 2.5572277438	 0.4946290709	-0.110827
+C	-2.7603293788	 2.7036298629	 1.9224079697	-0.232927
+C	-1.3887491512	 2.3494920864	 2.5640018841	-0.289931
+C	-0.8700532772	 1.9069359013	 1.170901703	 0.354948
+O	 0.416490535	 2.3279584925	 0.7723389054	-0.487159
+H	 0.7799493771	 0.4919617014	 0.059850114	 0.290467
+H	-1.3220436927	-0.1794919379	 1.7051571338	 0.086035
+H	-2.2469156928	-0.5815879785	-0.7936240724	 0.100121
+H	-3.472272019	 1.684879208	-1.1224086768	 0.096102
+H	-1.9376383961	 3.5264486661	 0.0167240972	 0.062056
+H	-3.1657297653	 3.6866122631	 2.169520406	 0.102001
+H	-3.5315473745	 1.9524346425	 2.1042851397	 0.109876
+H	-0.8563101215	 3.2397285462	 2.9145039525	 0.093543
+H	-1.3737595566	 1.6032956052	 3.3627208553	 0.106813
+H	 0.4311957299	 3.2889060706	 0.7433693088	 0.284436
+19
+0 3482	2.9099929	1.7007577	1.4362132	1.2704	75.37	-0.24266	0.01052	0.25317999999999996	985.7374	0.159279	-422.575302	-422.567871	-422.566927	-422.606861	29.462
+C	 0.9602780313	 0.6190360995	-1.1012347907	-0.407464
+C	 1.0135120887	-0.7674746377	-0.4396432052	-0.041667
+C	 1.5788724294	-1.8155986308	-1.3730472787	-0.064966
+C	 2.7064126685	-2.4675966941	-1.0929189477	-0.069953
+C	 3.4265492112	-2.155354478	 0.1984862181	-0.003028
+C	 2.7207819314	-2.8122513513	 1.4004192427	-0.080487
+O	 1.6142275757	-1.9348687013	 1.6142419436	-0.281316
+C	 1.8582971695	-0.7532619651	 0.8499251881	 0.179007
+O	 3.2318022137	-0.7727210397	 0.5305626271	-0.253515
+H	 0.4793049806	 1.3515363948	-0.4441862524	 0.114133
+H	 1.9710476426	 0.970803187	-1.328000991	 0.133272
+H	 0.3941189559	 0.5859370556	-2.0372376836	 0.114958
+H	-0.0033754752	-1.06192023	-0.1482041357	 0.092415
+H	 1.0386436822	-2.002553095	-2.2980323671	 0.09274
+H	 3.1110069595	-3.2342929476	-1.7462364048	 0.091439
+H	 4.4995536096	-2.3469746421	 0.1525973015	 0.09043
+H	 2.3507653163	-3.8203817627	 1.1937544737	 0.109702
+H	 3.3724043415	-2.8317776919	 2.2839306439	 0.10027
+H	 1.6582731575	 0.1278225604	 1.4685368782	 0.084029
+19
+0 3483	2.977565	1.6554036	1.4272834	1.8429	74.63	-0.24253	0.00591	0.24844	987.5442	0.159409	-422.573193	-422.56578	-422.564836	-422.604745	29.399
+C	 2.5042451842	-0.7148438147	-1.3940526636	-0.406194
+C	 1.8141312617	 0.1283446771	-0.3088647062	-0.025068
+C	 2.396975234	 1.5252589063	-0.2354163676	-0.084935
+C	 3.0583049905	 1.9427987339	 0.8426488407	-0.063217
+C	 3.204140719	 1.0021456701	 2.0257464155	 0.135147
+O	 2.042762973	 1.0530253543	 2.8462477656	-0.259653
+C	 1.0910626447	 0.2258607739	 2.1704562389	-0.108252
+C	 1.9269686728	-0.5152315111	 1.0869688082	 0.034384
+O	 3.2617158357	-0.3338387601	 1.5724475661	-0.247817
+H	 2.0187416679	-1.6905762334	-1.5023861076	 0.11176
+H	 2.4678892595	-0.2113325855	-2.3653134466	 0.113594
+H	 3.5536036053	-0.8781471421	-1.1336620221	 0.137693
+H	 0.7462944475	 0.2064035877	-0.5594510783	 0.081073
+H	 2.2723642394	 2.1677264617	-1.1037801024	 0.094211
+H	 3.4612872733	 2.9466568648	 0.9279462428	 0.096649
+H	 4.0784438326	 1.208714292	 2.6460925718	 0.092786
+H	 0.6557382051	-0.4617550292	 2.9015887527	 0.111685
+H	 0.291407642	 0.8309386838	 1.7271700626	 0.102821
+H	 1.7235934417	-1.5879436797	 1.0529939197	 0.083333
+19
+0 3484	2.8577968	1.6317653	1.3976073	1.1537	74.61	-0.2435	-0.00318	0.24032	986.1807	0.159946	-422.576339	-422.568912	-422.567968	-422.607872	29.779
+O	 0.3629538303	-0.1646040869	 0.3224865679	-0.44387
+C	-0.9463621579	 0.212539465	 0.7505338222	 0.104746
+C	-0.9105529171	 0.8220963681	 2.1339965925	-0.111788
+C	-1.3155551687	 2.0719622279	 2.3660036072	-0.063866
+C	-1.8830053242	 2.9142832724	 1.2348501412	 0.067614
+C	-1.1339441042	 2.5942297775	-0.0629256046	-0.240676
+C	-1.6502911977	 1.1561661196	-0.2511660972	-0.076184
+C	-3.1433094431	 1.3398122507	 0.1108509328	-0.082553
+O	-3.2292643665	 2.5104103462	 0.934842434	-0.2685
+H	 0.9492622541	 0.5819739069	 0.484835689	 0.278614
+H	-1.4985400691	-0.7352430401	 0.7800349003	 0.091949
+H	-0.5093803874	 0.1969879128	 2.9276570016	 0.098219
+H	-1.2910407419	 2.4930259243	 3.3669600222	 0.096154
+H	-1.9186904775	 3.9738796771	 1.494932696	 0.075266
+H	-1.467291945	 3.2508721738	-0.8713363786	 0.104441
+H	-0.0476043159	 2.669872091	 0.0260613747	 0.08841
+H	-1.5133167588	 0.7631340774	-1.2603050311	 0.079565
+H	-3.7589679706	 1.5054685398	-0.7807093735	 0.103854
+H	-3.5463331288	 0.4709054866	 0.6475126534	 0.098605
+19
+0 3485	2.8798856	1.6642138	1.4302329	2.2157	74.63	-0.24388	0.0065	0.25038	979.9677	0.16026	-422.582479	-422.575169	-422.574225	-422.613921	29.542
+O	 0.4251032507	 0.4518999252	 0.8403633725	-0.443396
+C	-0.8115545257	 1.0964592186	 0.5516198429	 0.116791
+C	-1.901055675	 0.0765970493	 0.292581688	-0.117597
+C	-2.4128220631	-0.0805014112	-0.9281424084	-0.055827
+C	-1.9322314815	 0.7990259751	-2.0616251276	 0.02772
+C	-2.6774426288	 2.1536005537	-2.0550328731	-0.208872
+C	-1.936754342	 2.9032740442	-0.9169111736	-0.247351
+C	-0.6801846551	 2.0269446033	-0.665713423	 0.047307
+O	-0.5758855086	 1.1886464402	-1.8268027308	-0.273814
+H	 0.6545542718	-0.0365294469	 0.0397757179	 0.281206
+H	-1.043276401	 1.6895255742	 1.4443708635	 0.085913
+H	-2.2026123296	-0.5515312655	 1.1257946176	 0.097317
+H	-3.196042713	-0.8049307282	-1.1346208991	 0.094038
+H	-1.9673431071	 0.2813047193	-3.0229740772	 0.08241
+H	-2.5350253592	 2.65639404	-3.0152175492	 0.106952
+H	-3.7497619557	 2.0497386081	-1.8758489395	 0.104135
+H	-1.6561442616	 3.9131922205	-1.222110172	 0.110308
+H	-2.5480455373	 2.9903690902	-0.0150287594	 0.108662
+H	 0.2478261619	 2.5971692798	-0.5872380996	 0.084098
+19
+0 3486	2.6301519	1.8137905	1.5034549	2.7053	74.9	-0.23965	0.01009	0.24974	952.8181	0.160419	-422.581232	-422.574084	-422.573139	-422.612392	29.261
+O	 0.3263725918	-0.0752145324	 0.5906458706	-0.443165
+C	-0.3914240455	 0.9534945981	 1.2572005781	 0.106176
+C	-1.4365375755	 0.3738806092	 2.1902519676	-0.08966
+C	-2.7280628652	 0.6973639418	 2.1072957361	-0.072748
+C	-3.2073826619	 1.6893208755	 1.0671613299	-0.086422
+C	-3.1683713517	 1.0463802903	-0.333246379	-0.066484
+O	-1.7827247203	 1.0637138378	-0.7088136636	-0.292243
+C	-1.0534292634	 1.8868758342	 0.2256066611	 0.066819
+C	-2.1178294616	 2.766609389	 0.879698192	-0.2498
+H	-0.2742323916	-0.3848541735	-0.1018614907	 0.283993
+H	 0.3605529536	 1.5123933629	 1.8307285639	 0.083555
+H	-1.0790950397	-0.350978207	 2.9164686924	 0.096569
+H	-3.4631797679	 0.2405903682	 2.7642200458	 0.091183
+H	-4.1929184087	 2.0932051043	 1.3072161473	 0.072744
+H	-3.526775444	 0.0124912874	-0.3450966782	 0.106738
+H	-3.7527975977	 1.6309519589	-1.057780663	 0.096482
+H	-0.2908327923	 2.4269016501	-0.341731059	 0.08247
+H	-1.7903255982	 3.2089505804	 1.8226400227	 0.110648
+H	-2.4425858402	 3.5633483848	 0.2031479863	 0.103144
+19
+0 3487	2.6978489	1.7740469	1.2993647	1.5728	75.16	-0.25001	0.00875	0.25876	1014.0026	0.159068	-422.573005	-422.565286	-422.564342	-422.605377	29.578
+C	 1.3043702458	-0.7957841667	-1.0239731625	-0.387037
+C	 1.239309389	 0.0933977499	 0.2231529746	-0.054468
+C	 1.8675609177	-0.5134822291	 1.4583213947	-0.064018
+C	 2.6786848635	 0.322730935	 2.1028759953	-0.114723
+C	 2.7775458282	 1.660597015	 1.4132987696	 0.037279
+O	 4.0967398855	 1.9995384787	 0.9814882304	-0.250336
+C	 4.2393236596	 1.390219574	-0.2753702654	 0.013801
+O	 2.9844709178	 1.4805002853	-0.9200408022	-0.254986
+C	 1.976371018	 1.4592688486	 0.0894197291	 0.057658
+H	 0.7689506162	-1.7350508923	-0.8506157037	 0.108315
+H	 0.8474741421	-0.2988543811	-1.8847422968	 0.121278
+H	 2.3379133555	-1.0315413484	-1.2876751549	 0.12621
+H	 0.1793412187	 0.3015033403	 0.4311368353	 0.083669
+H	 1.64001072	-1.5277727313	 1.7729217676	 0.098258
+H	 3.2235086142	 0.1094909569	 3.0152393621	 0.10216
+H	 2.4295294154	 2.492399705	 2.0327034422	 0.091679
+H	 4.9827774232	 1.9437094716	-0.8564168924	 0.117185
+H	 4.5444261709	 0.3344922451	-0.1728435839	 0.084361
+H	 1.2821108487	 2.2739991435	-0.132523839	 0.083714
+19
+0 3488	3.0238395	1.4962063	1.2102711	2.9803	75.46	-0.23702	0.0044	0.24142	1064.487	0.159257	-422.577475	-422.569708	-422.568764	-422.610038	30.062
+O	 0.7324588479	 0.3895306064	 0.7626292936	-0.429539
+C	-0.6889141073	 0.4918407645	 0.8354654413	 0.079919
+C	-1.1825042698	 0.4803901309	 2.2606556249	-0.127491
+C	-1.7150160641	 1.6500595465	 2.6165100831	-0.074338
+C	-1.7754529403	 2.6466110922	 1.482197271	-0.098587
+C	-3.2077260271	 3.0379637303	 1.0558100899	-0.22821
+C	-3.5677555661	 1.9112878902	 0.0857221259	-0.076668
+O	-2.3589773439	 1.6190609806	-0.605297315	-0.260231
+C	-1.2468400932	 1.8285011245	 0.2639943353	 0.065952
+H	 1.0971511983	 0.9727019064	 1.4375541095	 0.275018
+H	-1.0656406876	-0.3393018352	 0.2315162406	 0.101249
+H	-1.0436499225	-0.3768972595	 2.9105280001	 0.100762
+H	-2.0912991063	 1.8894319238	 3.6066544461	 0.098778
+H	-1.1776274812	 3.5376915248	 1.7014356878	 0.080506
+H	-3.8995470287	 3.1177836437	 1.8987186365	 0.100614
+H	-3.1942920819	 3.9979354085	 0.5307517881	 0.107736
+H	-3.9341714514	 1.027011752	 0.629479382	 0.093666
+H	-4.3190783006	 2.1918132786	-0.6577100263	 0.107503
+H	-0.464023134	 2.3287166609	-0.3142282144	 0.08336
+19
+0 3489	2.9725619	1.4894957	1.1754126	2.1889	75.72	-0.24499	0.00795	0.25294	1076.0567	0.159571	-422.57514	-422.567459	-422.566515	-422.607798	29.75
+O	 0.5871069778	 0.5814556909	 0.3932876608	-0.434627
+C	-0.7931977359	 0.6891567353	 0.7387037426	 0.092576
+C	-1.2039995976	 2.1066731905	 1.0440090254	-0.114573
+C	-2.1599755542	 2.5462997767	 0.2283701678	-0.071179
+C	-2.6463209512	 1.4961726714	-0.7368069119	-0.087509
+C	-4.0833297479	 0.992943633	-0.4390337414	-0.087715
+O	-3.9317381485	-0.0882927997	 0.4618842702	-0.239257
+C	-2.7996773139	-0.8111732666	-0.0007833473	-0.098866
+C	-1.7594160845	 0.2497012058	-0.4042131728	-0.066422
+H	 0.7739205778	 1.2743308621	-0.250220128	 0.273094
+H	-0.8984261448	 0.0354570253	 1.6124459615	 0.091733
+H	-0.7230320923	 2.679494304	 1.8293415123	 0.100116
+H	-2.5905436456	 3.5428477272	 0.2510415181	 0.098758
+H	-2.5719180131	 1.832494258	-1.7765679506	 0.076916
+H	-4.7231838517	 1.7427574262	 0.0338379405	 0.108081
+H	-4.5676237508	 0.6573369127	-1.3713382372	 0.084324
+H	-2.4695785594	-1.472413507	 0.8047351442	 0.110876
+H	-3.0712162528	-1.4331175599	-0.870152667	 0.085073
+H	-1.1589946314	-0.0896459059	-1.250987167	 0.078602
+19
+0 3490	3.0111432	1.4850799	1.1833619	0.3507	75.07	-0.24755	0.00187	0.24942	1071.2111	0.159518	-422.576888	-422.569184	-422.56824	-422.609419	29.95
+O	 0.3586607802	 0.0232862228	 0.400595126	-0.432135
+C	-0.8741437537	 0.5838740974	 0.8511837436	 0.092119
+C	-2.0656617609	-0.2416790294	 0.4266274719	-0.120415
+C	-2.8940147661	 0.4264713566	-0.3733142168	-0.087514
+C	-2.4686913313	 1.8618395418	-0.5847439422	 0.065068
+O	-3.4209730907	 2.7968183337	-0.067068932	-0.260533
+C	-3.0773947408	 3.0476468845	 1.2892059528	-0.08565
+C	-1.5444006666	 3.0840336511	 1.2997077682	-0.232948
+C	-1.166299201	 1.9984219099	 0.2683709888	-0.081941
+H	 0.2558175818	-0.1777628552	-0.5364945812	 0.27392
+H	-0.7640204115	 0.61468428	 1.9413471855	 0.088235
+H	-2.1701244904	-1.2780705243	 0.7306865501	 0.103306
+H	-3.8026848597	 0.0349333058	-0.8178059156	 0.105751
+H	-2.3505890578	 2.1090320731	-1.6453323002	 0.080824
+H	-3.5491613623	 3.9888539862	 1.5828616264	 0.10869
+H	-3.456379238	 2.249998271	 1.9475043953	 0.09167
+H	-1.1985232359	 4.0638023265	 0.95760137	 0.107804
+H	-1.1165576626	 2.9027094394	 2.2892326075	 0.102588
+H	-0.3037569226	 2.303589319	-0.3266783682	 0.081161
+19
+0 3491	1.9562114	1.5772354	1.3991688	2.9371	76.35	-0.23928	-0.01953	0.21975	1080.4664	0.156579	-422.594034	-422.584997	-422.584053	-422.627769	33.588
+C	-1.5267539596	 1.4558645996	 1.424792321	-0.421648
+C	-0.9310915323	 1.3266933616	 0.0087869474	-0.099825
+C	-2.0415102758	 1.2787202602	-1.0700774927	 0.081676
+O	-1.5644506418	 1.705061272	-2.346752397	-0.435903
+C	-2.6899375615	-0.0795242995	-1.170246328	-0.101447
+C	-2.1230621154	-1.2008621607	-0.7244065153	-0.054047
+C	-0.7846031506	-1.2445739374	-0.0345285391	-0.359618
+C	-0.0478668836	 0.0906358883	-0.0851104587	 0.369449
+O	 1.1542087128	 0.1498374727	-0.1981879588	-0.318355
+H	-2.2009072521	 0.6267013836	 1.659464722	 0.128458
+H	-0.7372570666	 1.4835507578	 2.1812033038	 0.132092
+H	-2.1011891342	 2.3841309924	 1.5039993104	 0.127795
+H	-0.2983864676	 2.1931060739	-0.2014843303	 0.102757
+H	-2.7967116091	 2.0292431989	-0.8071996351	 0.089912
+H	-1.0175073171	 0.9984521287	-2.7080119958	 0.281442
+H	-3.6456500547	-0.1187479972	-1.6855010347	 0.100835
+H	-2.6291856854	-2.1543674139	-0.8566267343	 0.102211
+H	-0.9161468716	-1.5257793093	 1.0220533436	 0.139003
+H	-0.1310951338	-2.0105164316	-0.4650103383	 0.135213
+19
+0 3492	1.9721449	1.5973084	1.4228862	1.4247	76.73	-0.23399	-0.02165	0.21234	1074.4353	0.156548	-422.592443	-422.583461	-422.582516	-422.62613	33.499
+C	-1.4137543015	-1.7476364159	 2.4744833435	-0.404459
+C	-2.0326006787	-1.320059038	 1.1299150272	-0.041715
+C	-2.6374743833	 0.0606056865	 1.2196926282	-0.055288
+C	-2.104582605	 1.1526891044	 0.67636034	-0.057127
+C	-0.8253108479	 1.1479764837	-0.1223888597	-0.346017
+C	-0.0933211707	-0.1804322921	-0.0164252369	 0.36526
+O	 1.110455194	-0.2722423255	 0.0464800271	-0.321872
+C	-1.0105246646	-1.4067067844	-0.0148892088	 0.015031
+O	-1.7453468104	-1.4328892625	-1.2394840375	-0.43993
+H	-1.0795412539	-2.7895923673	 2.44070245	 0.118956
+H	-0.5528809106	-1.1209716276	 2.7295009687	 0.131122
+H	-2.1443497374	-1.6519924632	 3.2831494189	 0.119883
+H	-2.8266175479	-2.0344298196	 0.874614891	 0.094445
+H	-3.558742753	 0.1421258279	 1.7917784581	 0.089912
+H	-2.5978011433	 2.114416059	 0.7913760062	 0.093611
+H	-1.0516685925	 1.3304080478	-1.18352513	 0.137547
+H	-0.1405534574	 1.9427391256	 0.1902325419	 0.128633
+H	-0.3868887305	-2.3032985618	 0.0949664969	 0.080391
+H	-1.1221831952	-1.604745207	-1.9534742949	 0.291617
+19
+0 3493	2.2460932	1.5713342	1.2783515	2.1179	75.95	-0.24309	-0.02716	0.21593	1077.4292	0.155587	-422.583448	-422.574342	-422.573398	-422.617262	33.893
+C	-0.0955844748	 0.3464631423	-0.0748984198	-0.419496
+C	 1.409597541	 0.0299672895	 0.0611253055	 0.146086
+C	 2.225492408	 1.3594194162	 0.0515841865	-0.316987
+C	 2.6092314126	 1.4980868227	-1.4049470697	-0.067777
+C	 2.4323967939	 0.3652677154	-2.0806779607	-0.085522
+C	 1.9478743621	-0.7443842929	-1.1839104599	 0.071322
+O	 1.0019429999	-1.579260259	-1.8263334259	-0.4392
+C	 1.5760828924	-0.7687537967	 1.332984684	 0.113044
+O	 1.7752240234	-1.95926782	 1.3674751891	-0.266785
+H	-0.4627575821	 0.8617960909	 0.8192208096	 0.111902
+H	-0.2591403231	 0.9964300909	-0.9386680417	 0.135517
+H	-0.6791694177	-0.5635566923	-0.2236499288	 0.130797
+H	 1.6451720988	 2.2091886406	 0.4292102261	 0.108444
+H	 3.123002499	 1.2913370176	 0.6833831017	 0.112482
+H	 3.016338481	 2.4176156794	-1.8099515819	 0.100059
+H	 2.6585896206	 0.1933611359	-3.1261216043	 0.105756
+H	 2.8069920724	-1.3566339962	-0.8673781294	 0.089402
+H	 0.9243469604	-2.373434132	-1.2861833501	 0.291107
+H	 1.4641651622	-0.1856498621	 2.2768327396	 0.07985
+19
+0 3494	2.0899443	1.5758082	1.3204395	2.728	76.37	-0.24704	-0.02981	0.21723	1086.3728	0.154976	-422.584803	-422.575529	-422.574585	-422.61898	34.264
+C	 0.8700474903	 1.1936569382	 0.1515247608	-0.399938
+C	 1.0510851551	-0.3180616298	-0.0025356348	-0.060512
+C	 1.6702892705	-1.0276479655	 1.1839680433	-0.080788
+C	 2.4973860529	-2.0032033681	 0.8115904086	-0.099015
+C	 2.5760510376	-2.1171487441	-0.6935570243	-0.307302
+C	 1.9972173192	-0.7519225876	-1.1733387131	 0.267181
+O	 3.0392570447	 0.184420379	-1.4086612469	-0.477725
+C	 1.264371969	-0.8709508472	-2.5008482157	 0.136917
+O	 0.2459938092	-1.4955528528	-2.651353621	-0.266202
+H	 0.2091999175	 1.4092990306	 0.9970957143	 0.114643
+H	 1.8222029059	 1.7010068316	 0.3273241245	 0.113107
+H	 0.420524909	 1.6326804371	-0.7442773143	 0.123791
+H	 0.0687516734	-0.7671026023	-0.2069859495	 0.1113
+H	 1.4127491748	-0.7741422261	 2.2068695302	 0.097285
+H	 3.01846584	-2.6811086585	 1.478159174	 0.0996
+H	 3.5873946421	-2.2584436734	-1.0890498339	 0.112833
+H	 1.9618228309	-2.9520332841	-1.054618086	 0.132555
+H	 3.5708270518	 0.2378495409	-0.6067687131	 0.286202
+H	 1.7592864662	-0.3296782679	-3.3359852131	 0.096066
+19
+0 3495	2.6705703	1.6732396	1.2651626	2.1657	75.39	-0.24604	0.01593	0.26197000000000004	1039.8828	0.157878	-422.554536	-422.546509	-422.545565	-422.587275	30.982
+O	-0.7993782283	 0.3957145624	 0.0594087737	-0.441761
+C	-2.0844975049	-0.0837543986	 0.386447842	 0.049284
+C	-2.1552766961	-1.5308887014	 0.8252641687	-0.110616
+C	-2.9603003118	-1.6903891544	 1.8737787185	-0.068304
+C	-3.5545030303	-0.378686424	 2.3348441874	-0.323649
+C	-2.7023966059	 0.6698921938	 1.6037178911	 0.405604
+C	-3.2190646211	 2.1063919866	 1.3857031921	-0.353802
+C	-1.9894751564	 2.5392523682	 2.2020228356	-0.07093
+O	-1.6154350989	 1.1627649951	 2.4501494804	-0.331167
+H	-0.3824153928	 0.5768684727	 0.914987945	 0.285526
+H	-2.7059731034	 0.0770153064	-0.5063291526	 0.088439
+H	-1.6226936132	-2.3128002696	 0.2967069219	 0.100758
+H	-3.2022395261	-2.6362251053	 2.3459633822	 0.096641
+H	-4.6108417715	-0.2915283784	 2.0427863749	 0.109281
+H	-3.5078510471	-0.2289471622	 3.4187946528	 0.117051
+H	-3.2416291454	 2.4395775459	 0.3467596378	 0.11851
+H	-4.1806911277	 2.318600816	 1.8567970449	 0.109479
+H	-1.217795668	 3.0709876602	 1.6345894587	 0.111662
+H	-2.1854750411	 3.0739996266	 3.1374980449	 0.107994
+19
+0 3496	2.6792422	1.614625	1.2159049	2.0035	75.16	-0.24702	0.0114	0.25842	1054.9475	0.157846	-422.54313	-422.53508	-422.534136	-422.575812	30.979
+O	 0.4058819914	 0.227883738	 0.7724761913	-0.439482
+C	-0.6078135557	 1.1402382877	 1.1592644672	 0.054682
+C	-1.4265449599	 1.5784919584	-0.026933854	-0.077563
+C	-2.7186391745	 1.6732349856	 0.2794583974	-0.068298
+C	-2.9889428382	 1.280459425	 1.7145258305	-0.359491
+C	-1.6864414616	 0.5752356766	 2.1324215562	 0.253376
+C	-1.2294861678	 0.4785210957	 3.6003133281	-0.148924
+O	-0.882675704	-0.9146544286	 3.4282060112	-0.288133
+C	-1.6651713277	-0.969391269	 2.2104758204	-0.118732
+H	 0.8332135831	-0.0943341051	 1.5749506802	 0.291495
+H	-0.1376859932	 2.024513389	 1.6298784565	 0.070844
+H	-0.9663300802	 1.8273022176	-0.9756113629	 0.104977
+H	-3.4985962209	 2.024267404	-0.3869820437	 0.098646
+H	-3.1765250157	 2.1697484632	 2.3345367999	 0.111132
+H	-3.8687064707	 0.6368455654	 1.8317179516	 0.10733
+H	-0.3685739433	 1.0873357794	 3.9040890796	 0.098609
+H	-2.0371436608	 0.6076404608	 4.3355907753	 0.095053
+H	-1.1520244982	-1.508452394	 1.4118240131	 0.124128
+H	-2.6569012622	-1.4078103996	 2.390763582	 0.09035
+19
+0 3497	2.6867118	1.3935083	1.127012	2.2044	76.35	-0.24355	-0.01097	0.23257999999999998	1143.4532	0.155951	-422.592088	-422.582785	-422.581841	-422.627246	33.596
+C	 0.7658914172	-0.6659016329	 1.226187349	-0.481315
+C	 1.0840377567	 0.1068527236	-0.0361466515	 0.398898
+O	 2.021829762	 0.8700817815	-0.1030335155	-0.313448
+C	 0.1260250427	-0.0872839783	-1.211959745	-0.152341
+C	 0.7113713149	 0.334758831	-2.5799956338	-0.28362
+C	-0.3670450042	 1.1918922169	-3.1894710896	-0.059136
+C	-1.3828970763	 1.4166181886	-2.3588641652	-0.102002
+C	-1.1671389263	 0.7967713566	-1.001373915	 0.08041
+O	-1.0463486793	 1.7765572443	 0.0288572142	-0.427798
+H	 1.5214657519	-0.4664637839	 1.9870160697	 0.138613
+H	-0.2169722023	-0.3541216464	 1.5957649053	 0.158805
+H	 0.7159535778	-1.7409202938	 1.0212529001	 0.13086
+H	-0.1892805863	-1.1346314333	-1.2395437185	 0.083959
+H	 1.6444004796	 0.8944692902	-2.4474322278	 0.137563
+H	 0.9487758998	-0.5345292056	-3.2036789249	 0.108226
+H	-0.2900774324	 1.5825368063	-4.1988674251	 0.101367
+H	-2.2553176865	 2.0266534067	-2.5639510719	 0.100974
+H	-2.0091658448	 0.1784677927	-0.6752038825	 0.094004
+H	-0.3744580143	 2.4101250458	-0.2510772821	 0.285982
+19
+0 3498	2.9295794	1.2984926	0.963376	2.7223	76.35	-0.24252	0.01766	0.26018	1217.7174	0.15741	-422.545016	-422.536661	-422.535717	-422.57831	31.601
+O	 2.957164507	 1.4179288909	-2.8053299798	-0.450953
+C	 2.4221493257	 1.0542142642	-1.5460095764	 0.111842
+C	 2.6236043016	 2.1275780831	-0.5074510435	-0.081507
+C	 2.9878569034	 1.6130438617	 0.6652698398	-0.070234
+C	 3.1309437776	 0.1070050722	 0.610089779	-0.302163
+C	 3.1416250178	-0.1691254857	-0.9126952182	-0.022273
+C	 2.5486398731	-1.4765250751	-1.3658920959	 0.050006
+C	 3.3518101552	-2.5543269936	-1.9555515485	-0.18029
+O	 2.5792742791	-1.6862647312	-2.7911838456	-0.249402
+H	 2.8760662695	 0.6383200791	-3.3684926717	 0.290793
+H	 1.3409174802	 0.8455306284	-1.6511564908	 0.069137
+H	 2.4292616346	 3.1720677135	-0.7202250464	 0.103453
+H	 3.1353875718	 2.1765247129	 1.5800072963	 0.0966
+H	 4.0307526962	-0.2615287629	 1.1149595609	 0.109147
+H	 2.2787590429	-0.3843325983	 1.1032105815	 0.106725
+H	 4.1745963398	-0.1051589702	-1.2734429762	 0.087177
+H	 1.5924645563	-1.7470597995	-0.9132474879	 0.094831
+H	 4.4317351547	-2.4341891539	-2.029643046	 0.118401
+H	 3.0004158533	-3.5839777655	-1.9119398006	 0.118712
+19
+0 3499	2.7621512	1.2187763	0.9406326	1.9885	77.41	-0.24758	0.00864	0.25622	1269.0933	0.156705	-422.600161	-422.591263	-422.590319	-422.634641	32.183
+C	-0.8618448073	 3.819387037	-2.1333819654	-0.410115
+C	-1.7692233739	 2.6811224929	-1.6569318063	-0.03939
+C	-3.1065556242	 3.1111927035	-1.0929114847	-0.070951
+C	-3.4322916291	 2.4420205151	 0.0118875256	-0.080968
+C	-2.3749783033	 1.4347011606	 0.395959299	-0.287285
+C	-1.1815662906	 1.8649578553	-0.4848040622	 0.135746
+O	-0.4209267013	 0.7564421884	-1.0171215275	-0.218934
+C	 0.4402210917	 0.1677497346	-0.1785531311	 0.178179
+O	 0.6239375841	 0.4570157085	 0.9726470906	-0.307291
+H	-0.6749300535	 4.5364450801	-1.3266560684	 0.119257
+H	 0.1030824501	 3.4297110081	-2.4736610047	 0.122126
+H	-1.3156037042	 4.3633357091	-2.9679568262	 0.115614
+H	-1.9331033975	 1.9945764721	-2.5010180538	 0.093156
+H	-3.7195332197	 3.8633081336	-1.5778407085	 0.095181
+H	-4.3542359321	 2.5609181115	 0.5699458853	 0.097975
+H	-2.1214482882	 1.4342703136	 1.4596009895	 0.126419
+H	-2.6869034889	 0.4118361275	 0.1424009761	 0.114079
+H	-0.4983464941	 2.483065037	 0.1041274125	 0.108125
+H	 0.9649023118	-0.6359826887	-0.7187540099	 0.109078
+19
+0 3500	2.9674789	1.0108858	0.7993758	2.6582	77.45	-0.24754	-0.02157	0.22597	1401.6492	0.156001	-422.579864	-422.570735	-422.569791	-422.614888	32.918
+O	-1.0012638374	 3.9931195785	-2.1375176909	-0.43482
+C	-1.7628667501	 2.8438763935	-1.7973782494	 0.092146
+C	-3.1710833198	 3.1171610095	-1.3237018577	-0.127602
+C	-3.4976643667	 2.3666590977	-0.272870792	-0.066248
+C	-2.3731092727	 1.4484596625	 0.1446291397	-0.275118
+C	-1.1548537511	 2.0171345417	-0.6274541037	-0.00299
+C	-0.1117205629	 0.9867821751	-1.0810544887	-0.304579
+C	 0.6138819519	 0.3610541252	 0.0864266497	 0.16204
+O	 0.6413895745	-0.815933878	 0.3388172905	-0.241996
+H	-1.06310772	 4.608998963	-1.3983437526	 0.2755
+H	-1.7751708888	 2.2530153566	-2.7237467839	 0.095663
+H	-3.8172843088	 3.8203349497	-1.8371540028	 0.103069
+H	-4.464929777	 2.3613728563	 0.2180179855	 0.102124
+H	-2.2187882567	 1.4215448556	 1.2293467148	 0.11119
+H	-2.5846732662	 0.413014033	-0.1576112796	 0.122721
+H	-0.6565705895	 2.7502764289	 0.022589931	 0.072403
+H	-0.5679034575	 0.1919828215	-1.6795745839	 0.118424
+H	 0.6342209695	 1.5065847982	-1.6997661048	 0.129407
+H	 1.1411644093	 1.0977216015	 0.7397516189	 0.068667
+19
+0 3501	2.7224842	1.5554822	1.1303087	2.4514	76.22	-0.25147	0.01481	0.26628	1111.7269	0.156999	-422.564556	-422.556125	-422.55518	-422.597204	32.61
+C	-1.8437370765	 4.2149511441	 1.5906473443	-0.469378
+C	-1.6216587851	 2.7258687518	 1.455304926	 0.40319
+C	-2.7192087024	 1.8402956502	 2.0138618783	-0.338565
+C	-2.6294998424	 0.4003127586	 1.5947466774	-0.051249
+C	-1.8115769213	-0.0582714531	 0.6509566068	-0.096611
+C	-0.8361693354	 0.7873816621	-0.1216764116	 0.067455
+O	 0.4592722314	 0.1870914779	-0.1392668512	-0.436898
+C	-0.7340531392	 2.2048188735	 0.4016384404	-0.052909
+O	-0.2839220742	 2.2934532402	 1.7637206464	-0.304344
+H	-2.0011932077	 4.4863026684	 2.6405027388	 0.126621
+H	-0.9758936913	 4.7672796167	 1.2225507351	 0.130988
+H	-2.7271528983	 4.5316275786	 1.0261345201	 0.12219
+H	-2.7016280739	 1.9119846029	 3.1105674594	 0.119776
+H	-3.6932179522	 2.2528759881	 1.7129862704	 0.116561
+H	-3.2959762131	-0.28852071	 2.1084743793	 0.092789
+H	-1.7953552323	-1.1150611917	 0.3982501354	 0.097673
+H	-1.1370621468	 0.8265228704	-1.1773419804	 0.092872
+H	 0.7850407203	 0.243165493	 0.7680119882	 0.289781
+H	-0.2455518897	 2.9105290984	-0.2709866232	 0.090057
+19
+0 3502	2.4843682	1.4997539	1.2208948	1.1545	76.19	-0.23435	0.01091	0.24526	1089.4172	0.157028	-422.558962	-422.550351	-422.549407	-422.591795	33.383
+O	 0.4349086436	 0.0137753218	 0.4331932372	-0.430292
+C	-0.9367673904	 0.131681223	 0.834548413	 0.082634
+C	-1.0219381196	 0.7259245427	 2.2172221589	-0.11633
+C	-1.4255444884	 1.9708251313	 2.4710706381	-0.048046
+C	-1.9137714799	 2.9457983196	 1.4352968581	-0.315235
+C	-2.2326416469	 2.3089594613	 0.0999644099	 0.430876
+O	-2.2184163692	 3.294358918	-0.9000943816	-0.480936
+C	-3.2228361213	 1.1791583534	 0.035927039	-0.368968
+C	-1.7398985352	 0.9116130858	-0.1887444774	-0.138862
+H	 0.8261894303	 0.8909351348	 0.5165142587	 0.275633
+H	-1.2891718833	-0.907733585	 0.8553559024	 0.089349
+H	-0.6578460166	 0.0967285535	 3.0247723522	 0.094622
+H	-1.3968360757	 2.3410728712	 3.4934184131	 0.094843
+H	-2.7927115354	 3.4877143744	 1.8086729917	 0.114888
+H	-1.1474533092	 3.7160308215	 1.267043912	 0.12432
+H	-2.5380766904	 2.9068746408	-1.720855952	 0.280774
+H	-3.6738986044	 0.8284502415	 0.9592251627	 0.119933
+H	-3.8773809311	 1.1247727732	-0.8290272567	 0.103839
+H	-1.4416835268	 0.700331517	-1.2125201892	 0.086958
+19
+0 3503	2.2254954	1.8920798	1.217945	2.3809	76.18	-0.24614	0.00823	0.25437	1061.7705	0.15684	-422.561397	-422.552868	-422.551924	-422.594174	32.822
+C	 1.7983129101	-1.2294198114	-2.1947290522	-0.458524
+C	 0.7942123416	-1.5059809188	-1.1008962687	 0.349481
+O	-0.220247361	-2.4660336874	-1.4378588066	-0.296894
+C	 0.741493346	-2.8225058923	-0.4378695101	-0.005087
+C	 0.2048835626	-3.0021417859	 0.962960162	-0.300227
+C	-0.4908988969	-1.7820692964	 1.4967321445	-0.058691
+C	-0.4998782325	-0.5974385609	 0.8897003346	-0.084362
+C	 0.2486316029	-0.2770823634	-0.3751550986	 0.011652
+O	 1.2924884418	 0.6674917415	-0.1005984793	-0.423678
+H	 2.0904838562	-2.1619817763	-2.6838029692	 0.120199
+H	 1.3622380412	-0.5669913553	-2.9506827435	 0.125713
+H	 2.6857467218	-0.7334689681	-1.7955963116	 0.127358
+H	 1.4525712941	-3.5835090477	-0.7639771034	 0.084391
+H	-0.4833523786	-3.8590769814	 0.9750311095	 0.124892
+H	 1.0316009719	-3.2850719247	 1.6311577922	 0.113468
+H	-1.0241771259	-1.9054014775	 2.4364078359	 0.095235
+H	-1.0231032694	 0.2426075479	 1.3388555042	 0.096897
+H	-0.4123891784	 0.2493992404	-1.0764764675	 0.10064
+H	 1.7639550323	 0.3455735774	 0.6761140075	 0.277537
+19
+0 3504	2.2235304	1.8922991	1.255239	2.5636	76.18	-0.2318	0.0022	0.234	1039.0886	0.158132	-422.562276	-422.554204	-422.55326	-422.594306	32.455
+O	 0.429284831	 0.4926318897	 0.6466092894	-0.442232
+C	-0.8658042474	 1.1248786176	 0.5131173851	-0.001021
+C	-1.9176462057	 0.0934759923	 0.2156064058	-0.105978
+C	-2.4276080922	-0.1159945617	-0.9992599946	-0.052686
+C	-2.0877808267	 0.6911205175	-2.2227249992	-0.286176
+C	-1.3491949992	 1.9793232837	-1.9132849951	-0.10901
+C	-1.9714899154	 2.9878571299	-0.9592574842	-0.344176
+C	-0.7634894865	 2.2205757263	-0.5348833683	 0.417568
+O	 0.4147038781	 2.9601925548	-0.421399748	-0.480386
+H	 0.4921230164	-0.160230036	-0.0606614344	 0.279956
+H	-1.0318805875	 1.5819560484	 1.4957894684	 0.09743
+H	-2.2054748064	-0.5459117023	 1.0456209561	 0.096569
+H	-3.1412510794	-0.924909266	-1.1405298332	 0.096325
+H	-1.4880147687	 0.0641403578	-2.8995906434	 0.112787
+H	-3.011122851	 0.9057885274	-2.7802339507	 0.113431
+H	-0.7843186037	 2.4096564814	-2.7339120038	 0.0911
+H	-1.8153116413	 4.0381544723	-1.1774954285	 0.122131
+H	-2.9288226801	 2.7485464785	-0.5069439541	 0.112792
+H	 1.0840539057	 2.3180692883	-0.1446920173	 0.281578
+19
+0 3505	2.496157	1.8063802	1.3535623	2.4913	75.67	-0.24639	0.01421	0.2606	1002.404	0.159335	-422.555576	-422.548037	-422.547093	-422.587284	30.129
+O	 2.3311886163	 2.4250018096	-1.8933586693	-0.437618
+C	 2.2253399208	 1.3463779636	-0.9631363893	 0.092913
+C	 1.7348967025	 0.1096962193	-1.6848838742	-0.092587
+C	 0.5748818258	-0.542952878	-1.5808650897	-0.051179
+C	-0.5972320999	-0.2866274931	-0.6686451587	-0.266366
+C	-0.3982185021	 0.7878946041	 0.3889186742	 0.11486
+C	 0.9184392242	 0.6954291436	 1.190029055	-0.303343
+C	 1.388241356	 1.797980346	 0.2262391462	 0.080893
+O	 0.0225797962	 2.0478638931	-0.2039054837	-0.312336
+H	 1.420992412	 2.6371093033	-2.1390532792	 0.286534
+H	 3.2514933539	 1.1688692569	-0.6129794055	 0.087426
+H	 2.4356590974	-0.2314619999	-2.4442471386	 0.094434
+H	 0.42225961	-1.3833822183	-2.2568312443	 0.091123
+H	-1.4674737126	-0.0178726362	-1.2856226536	 0.120231
+H	-0.8770881796	-1.2241507333	-0.165360602	 0.109168
+H	-1.3140332282	 0.9204353522	 0.9747394786	 0.078287
+H	 0.8160946758	 1.0447683301	 2.2183755682	 0.111184
+H	 1.4550679266	-0.2541952635	 1.1707447987	 0.112006
+H	 1.8353036648	 2.6976217605	 0.6605150073	 0.084369
+19
+0 3506	2.2664587	1.8366116	1.0967924	1.8244	75.3	-0.2381	0.01376	0.25186000000000003	1097.7414	0.158401	-422.549239	-422.541266	-422.540322	-422.58211	30.668
+O	 0.5092359416	 0.4899753833	 0.9818384704	-0.445262
+C	-0.847486796	 0.9062587229	 0.9303513673	 0.058933
+C	-1.0174782407	 1.8617035803	-0.2189078799	-0.051732
+C	-2.235478256	 2.1961370406	-0.6448153185	-0.076524
+C	-3.4607635383	 1.6067818827	 0.0157821908	-0.292177
+C	-3.2452649329	 0.1069739866	 0.2922058856	-0.058589
+C	-3.6846149171	-0.4901800075	 1.6476404137	-0.094301
+O	-2.3211141013	-0.8017520578	 2.0092407326	-0.3041
+C	-1.8217832794	-0.2689646425	 0.7584023466	 0.102514
+H	 0.6127096925	-0.0647181987	 1.7619701615	 0.289312
+H	-1.1246711079	 1.4123188292	 1.8719809339	 0.084843
+H	-0.1095575163	 2.2650529613	-0.655526662	 0.103563
+H	-2.3670881121	 2.9041409443	-1.4571793377	 0.093965
+H	-3.6483823566	 2.1281929592	 0.9661235665	 0.113962
+H	-4.3533427577	 1.7637386723	-0.5968361888	 0.105626
+H	-3.5728765845	-0.4776476896	-0.5692076445	 0.085965
+H	-4.1432554626	 0.2183558901	 2.3502720466	 0.098447
+H	-4.3076705074	-1.3912100234	 1.5946315837	 0.101917
+H	-1.3187834873	-1.0421188232	 0.1644368021	 0.083639
+19
+0 3507	2.4187129	1.7944852	1.2492147	2.38	75.44	-0.2411	0.01554	0.25664000000000003	1035.609	0.158559	-422.552052	-422.544164	-422.54322	-422.584376	30.533
+O	 0.4048864421	 0.4395862743	 1.1392387195	-0.434329
+C	-0.9444925077	 0.9020625152	 1.0965974634	 0.054419
+C	-1.0571843813	 1.8627592754	-0.0547166932	-0.053414
+C	-2.2189753157	 2.1291063347	-0.6479894956	-0.062226
+C	-3.5039980999	 1.4687094683	-0.2198384072	-0.282708
+C	-3.281896896	 0.0389364611	 0.2666662441	 0.129135
+O	-2.9546024149	-0.8484441656	-0.826330461	-0.292417
+C	-1.6920225047	-1.2094540649	-0.2291232939	-0.071105
+C	-1.9295121094	-0.2680430901	 0.9683388199	-0.109999
+H	 0.5115701283	-0.0916540026	 1.9349762661	 0.282215
+H	-1.1730724693	 1.4485287478	 2.0291862123	 0.078176
+H	-0.1340807324	 2.349511425	-0.3538819158	 0.09998
+H	-2.2637705395	 2.8538991171	-1.4557361743	 0.092765
+H	-3.9835487252	 2.0504103723	 0.5819005951	 0.107274
+H	-4.2223647442	 1.4370026932	-1.0465372952	 0.11834
+H	-4.1664238835	-0.3212067717	 0.8078543238	 0.06899
+H	-1.6451852263	-2.2782367123	 0.0131982079	 0.09274
+H	-0.841317425	-0.9437551137	-0.8654672499	 0.115864
+H	-2.0307807252	-0.7822957237	 1.927987804	 0.0663
+19
+0 3508	2.4289191	1.5237073	0.9811744	2.5382	78.69	-0.23918	0.00659	0.24577000000000002	1191.3992	0.157703	-422.564365	-422.555851	-422.554906	-422.597595	32.966
+O	 0.6497085153	 1.8870277732	-0.0810014811	-0.448937
+C	-0.4590231149	 2.0418275559	 0.7856652386	 0.058393
+C	-1.0011330363	 3.4293340722	 0.5857071189	-0.058617
+C	-2.0881264785	 3.9617629504	 1.1367975719	-0.067081
+C	-3.0554863281	 3.336886917	 2.1054839919	-0.313172
+C	-3.2352065873	 1.8449484552	 2.1527300594	-0.050215
+C	-2.6316499626	 0.867153252	 1.4768810061	-0.09738
+C	-1.4932097295	 0.9332821377	 0.4961829507	 0.04554
+O	-0.8062277597	-0.3280904654	 0.4520606205	-0.444018
+H	 0.7740683099	 0.9319299483	-0.1643358642	 0.284031
+H	-0.1399275951	 1.9165167998	 1.8378776908	 0.064863
+H	-0.3982131152	 4.0299587785	-0.0895342858	 0.104574
+H	-2.3140300982	 4.9985637494	 0.8967300601	 0.091634
+H	-2.8135074693	 3.6878856882	 3.1235975544	 0.128536
+H	-4.0504689852	 3.7684768761	 1.9201385614	 0.123221
+H	-4.0293585209	 1.5415906198	 2.8339050087	 0.092541
+H	-2.9833241101	-0.150426986	 1.6400403994	 0.092313
+H	-1.8587725747	 1.0729546677	-0.5278083383	 0.11204
+H	-0.6059459597	-0.57868591	 1.3622072063	 0.281735
+19
+0 3509	2.2286311	1.7669391	1.2605816	1.2098	76.47	-0.25145	0.01354	0.26499	1058.9958	0.157495	-422.55402	-422.545743	-422.544799	-422.586638	31.97
+O	 0.1923991283	 0.0654497758	 0.2986505958	-0.432834
+C	-0.5136817911	 0.9679458406	 1.156178784	-0.005613
+C	-1.2428263559	 1.9456731786	 0.2738152967	-0.047999
+C	-0.9237903831	 3.2363152654	 0.1901559479	-0.048741
+C	 0.2171605812	 3.8699103087	 0.9415811806	-0.254935
+C	 1.2053231792	 2.8159881022	 1.4661350006	-0.290221
+C	 0.4380397185	 1.6841940523	 2.1069518635	 0.412601
+C	 0.9270811718	 0.9830080378	 3.2997573183	-0.259749
+O	-0.108170279	 1.9631569711	 3.4074731239	-0.282549
+H	 0.5570960885	-0.6347023263	 0.8510688261	 0.279812
+H	-1.2448334614	 0.4204514631	 1.7714702965	 0.078994
+H	-2.0608461283	 1.5369883992	-0.3122823756	 0.093988
+H	-1.5123134009	 3.890154128	-0.4494525499	 0.090978
+H	 0.7356487484	 4.5871668921	 0.2946832278	 0.105209
+H	-0.1800909981	 4.4555964313	 1.7823197028	 0.126926
+H	 1.7803313177	 2.4034062057	 0.6291408686	 0.118773
+H	 1.9073849951	 3.2564025084	 2.1796292782	 0.098081
+H	 0.6165944879	-0.0435103725	 3.5010867855	 0.10335
+H	 1.8867149511	 1.2629439083	 3.7331871686	 0.113929
+19
+0 3510	2.2764695	1.8066887	1.2987996	1.8505	76.36	-0.23978	0.00968	0.24946	1040.9389	0.157439	-422.546322	-422.538115	-422.537171	-422.57876	32.088
+O	 0.3948812812	-0.190381647	 0.4389823807	-0.432622
+C	-0.9375131929	 0.1419479894	 0.8335212976	 0.027833
+C	-0.9584079344	 0.7209136209	 2.2290290674	-0.100163
+C	-1.2183914199	 2.008803279	 2.4432769843	-0.065194
+C	-1.4978269316	 2.9599140336	 1.3134700427	-0.140383
+O	-1.1262417981	 2.4294107386	 0.0498733075	-0.298499
+C	-1.5938952902	 1.1135142401	-0.1281600036	 0.410664
+C	-1.8686849115	 0.7222820068	-1.5388464673	-0.326746
+C	-3.0233180697	 0.9258185757	-0.57483817	-0.334174
+H	 0.8813773259	 0.6421814977	 0.4124968506	 0.280466
+H	-1.4792649479	-0.8102283874	 0.8129131138	 0.085305
+H	-0.7157644357	 0.0492515081	 3.0471204389	 0.098021
+H	-1.2391041819	 2.4240484387	 3.4478437765	 0.097063
+H	-2.5647967137	 3.2457988233	 1.3138788554	 0.103272
+H	-0.9208649446	 3.8836574716	 1.4350921159	 0.117336
+H	-1.7128104081	 1.4848957729	-2.293156711	 0.122852
+H	-1.6077185631	-0.2848428797	-1.8437572462	 0.123653
+H	-3.6206967269	 1.8216183709	-0.7028462561	 0.1173
+H	-3.572852717	 0.0588663868	-0.2237107873	 0.114017
+19
+0 3511	2.616803	1.4302959	0.9775664	2.6554	77.73	-0.25134	-0.02878	0.22256	1200.5641	0.155919	-422.570537	-422.561602	-422.560658	-422.604772	32.56
+C	 0.8332253346	 0.9636192399	 0.2075795616	-0.410103
+C	 0.9742887657	-0.5464519126	-0.0385789409	-0.043082
+C	 1.4949924755	-1.2542568057	 1.1897351586	-0.055637
+C	 2.4499151848	-2.1783760785	 1.1456402605	-0.0925
+C	 3.0353723535	-2.6472367094	-0.1547461956	-0.123273
+O	 2.2900235522	-2.2133137943	-1.2766678994	-0.269647
+C	 1.9236674944	-0.8470778942	-1.2232686011	 0.023945
+C	 1.2828646264	-0.5515245953	-2.5719442452	 0.142904
+O	 0.900583382	 0.5330652744	-2.927287353	-0.249091
+H	 0.1243638966	 1.1515693181	 1.0202987506	 0.113253
+H	 1.7961423109	 1.3999221178	 0.4959243006	 0.116963
+H	 0.48180776	 1.4754642872	-0.6901758141	 0.150963
+H	-0.0198842787	-0.9481745746	-0.2856341023	 0.092669
+H	 1.0672018231	-0.9481093752	 2.1418466582	 0.092307
+H	 2.8393281535	-2.6343524473	 2.0517128845	 0.096353
+H	 4.087815546	-2.3197459413	-0.2415553913	 0.101874
+H	 3.0412048621	-3.7424393804	-0.2034146164	 0.121936
+H	 2.8183306801	-0.2072614214	-1.1219029926	 0.093025
+H	 1.1892266772	-1.454540137	-3.2144225327	 0.09714
+19
+0 3512	2.1268901	1.4565123	1.1354463	1.5671	77.01	-0.24466	-0.02489	0.21977	1153.591	0.156957	-422.581697	-422.572815	-422.571871	-422.615925	32.641
+O	-0.6397148261	-1.9770433629	-2.4607853245	-0.436733
+C	-0.366622004	-1.0250443578	-1.4305720756	 0.061989
+C	-1.2863208435	 0.1473486974	-1.6522825684	-0.057636
+C	-0.881630248	 1.3226332697	-2.1323797553	-0.032491
+C	 0.5375204713	 1.6192002396	-2.5328361396	-0.261557
+C	 1.3877648721	 0.3445760569	-2.6261499954	-0.229811
+C	 1.1259872349	-0.6108266967	-1.4403911117	-0.112686
+C	 1.5298659114	 0.017201987	-0.1206176288	 0.152633
+O	 2.5074216942	-0.3009506763	 0.5094136443	-0.25794
+H	-0.2162815471	-2.8070908686	-2.2153241597	 0.28304
+H	-0.6044984933	-1.4727361711	-0.4517169021	 0.074694
+H	-2.3326795807	-0.0188653251	-1.4129721656	 0.096155
+H	-1.6026493166	 2.1284545086	-2.2503987662	 0.094042
+H	 0.542990432	 2.1394767285	-3.4984025956	 0.114361
+H	 0.9767937009	 2.3334261895	-1.8206840572	 0.116105
+H	 1.1214842462	-0.2013131063	-3.5371432752	 0.124711
+H	 2.451949641	 0.5908390877	-2.6875522678	 0.106881
+H	 1.7431070772	-1.5088342101	-1.5535917836	 0.081778
+H	 0.850245648	 0.8163980201	 0.2530157281	 0.082464
+19
+0 3513	2.2158775	1.7474401	1.0620137	3.1739	75.89	-0.24894	0.00766	0.2566	1129.6869	0.157883	-422.543968	-422.53586	-422.534916	-422.576427	31.642
+O	-2.5890254697	 1.4000431798	 1.119803898	-0.433292
+C	-1.8043026419	 0.8450722324	 0.0689774059	 0.051981
+C	-2.340882924	-0.5153768416	-0.3411383938	-0.103137
+C	-1.7721315834	-1.459049592	-1.0949692213	-0.042822
+C	-0.4414725692	-1.4623040704	-1.8081928952	-0.253167
+C	 0.2920576398	-0.1136014639	-1.8725946876	-0.252793
+C	 0.6939671382	 0.3544926377	-0.4920636012	 0.0627
+O	 0.5530505977	 1.7443215361	-0.1735413984	-0.259286
+C	-0.3284331633	 0.8078862374	 0.4525252291	 0.028252
+H	-2.5772839479	 0.7772749788	 1.8553054082	 0.276335
+H	-1.9141851006	 1.5600882246	-0.7538698928	 0.121104
+H	-3.3459662309	-0.6981120317	 0.0350576284	 0.092636
+H	-2.3517633859	-2.3677128709	-1.2531492187	 0.091627
+H	 0.2097601772	-2.2178896666	-1.3419675866	 0.112298
+H	-0.6070436926	-1.8302198479	-2.8294240424	 0.11193
+H	 1.1768264664	-0.2042403264	-2.5122939464	 0.10195
+H	-0.3536181074	 0.6414384811	-2.3310637405	 0.1198
+H	 1.5964974766	-0.1044831476	-0.0843572011	 0.088806
+H	-0.155436239	 0.6734892211	 1.5223406263	 0.085079
+19
+0 3514	2.2729831	1.8047402	1.0977937	1.0259	76.61	-0.23923	0.0185	0.25773	1103.6731	0.157751	-422.536076	-422.528067	-422.527123	-422.568243	31.649
+O	-1.4774969991	 4.472354653	 0.8843146024	-0.445032
+C	-0.684224141	 3.401750046	 0.3767384493	 0.062081
+C	 0.2550953493	 4.0069999217	-0.6411912123	-0.062066
+C	 1.0510014671	 3.3366353988	-1.4714978767	-0.057269
+C	 1.2225191378	 1.8449385064	-1.5991445516	-0.133379
+O	 0.5413797043	 1.0551743284	-0.6349297378	-0.247244
+C	-0.8462632904	 1.1019952738	-0.7822112969	 0.118039
+C	-1.6614259522	 0.9561197099	 0.4649497303	-0.349822
+C	-1.5536255783	 2.3043434527	-0.2267066509	-0.082467
+H	-2.0653200725	 4.1037149933	 1.5514367073	 0.281521
+H	-0.0838528123	 2.9668441227	 1.1906994766	 0.08756
+H	 0.2625964168	 5.0935046201	-0.6494423107	 0.102639
+H	 1.6833983109	 3.9014126819	-2.1552551595	 0.0905
+H	 0.9336738492	 1.5302652237	-2.618466087	 0.099216
+H	 2.2843920427	 1.5912001487	-1.4891874684	 0.119145
+H	-1.2145132325	 0.6519813799	-1.7055183826	 0.084536
+H	-2.5919026099	 0.4023286767	 0.4086219735	 0.114618
+H	-1.1090594634	 0.8287610273	 1.3905598481	 0.124188
+H	-2.4154712365	 2.6834262251	-0.7681545529	 0.093235
+19
+0 3515	2.4109978	1.6162694	1.0575705	4.0264	77.43	-0.24407	-0.00404	0.24003000000000002	1153.5424	0.157276	-422.588126	-422.579443	-422.578498	-422.621689	32.275
+C	-0.0611394591	-2.522414703	 0.3543140696	-0.402692
+C	-0.8090127499	-1.2764308583	-0.1267994212	-0.15782
+C	-1.4619314978	-1.4934837797	-1.4779711213	-0.0457
+C	-2.3439870144	-0.6448334558	-1.9968708986	-0.084345
+C	-2.6904590084	 0.6443206253	-1.2956604054	-0.280064
+C	-1.4824016334	 1.5729847764	-1.1739852329	-0.04589
+O	-0.4085520934	 1.1819248459	-0.3024169464	-0.242655
+C	 0.1187712605	-0.0542414046	-0.1021186539	 0.404809
+O	 1.2771967077	-0.1308292118	 0.205993048	-0.302202
+H	 0.3583123586	-2.3706952308	 1.3501982674	 0.131716
+H	-0.743183662	-3.3777950992	 0.3837262334	 0.109343
+H	 0.7669645313	-2.75941925	-0.3187700112	 0.134369
+H	-1.6068267725	-1.0402074316	 0.5938655163	 0.110864
+H	-1.1856535288	-2.4014813425	-2.007278919	 0.100381
+H	-2.8044834636	-0.8503143535	-2.9585930854	 0.098961
+H	-3.4557725898	 1.1947113596	-1.8527605247	 0.111621
+H	-3.1099315588	 0.4528781852	-0.2981483273	 0.121341
+H	-1.052198388	 1.738305862	-2.1697803259	 0.11762
+H	-1.7956099483	 2.5432879265	-0.7770827414	 0.120344
+19
+0 3516	2.1656222	1.6213062	1.2906409	2.4146	77.47	-0.23379	-0.01696	0.21683	1082.7059	0.157199	-422.570782	-422.56214	-422.561196	-422.604153	32.242
+C	-1.787316586	-1.3717494435	 1.2715964404	-0.412526
+C	-0.8486434699	-1.2928981969	 0.0441664491	-0.110048
+C	-1.5673369252	-1.522141331	-1.2709025404	-0.102357
+C	-2.2640120159	-0.6502442111	-2.0003638205	-0.045089
+C	-2.5592649345	 0.790939614	-1.6946571972	-0.141352
+O	-2.1746060548	 1.2299032265	-0.4090099221	-0.226552
+C	-0.7847447171	 1.3317957435	-0.2172477541	-0.1814
+C	-0.0460964291	 0.010261848	 0.0374334801	 0.347457
+O	 1.1448887161	 0.0324984712	 0.2349587414	-0.306693
+H	-2.2999205057	-2.3382506867	 1.2850088071	 0.121321
+H	-1.213579273	-1.2799369364	 2.1995189043	 0.12332
+H	-2.5387229809	-0.5817958278	 1.2369940387	 0.146065
+H	-0.0891727227	-2.073691784	 0.1507416102	 0.098476
+H	-1.4759410944	-2.5337261566	-1.6592956198	 0.100009
+H	-2.6966464913	-0.9923781194	-2.9395574065	 0.093938
+H	-2.1025059901	 1.435396509	-2.4686240757	 0.104539
+H	-3.6417912511	 0.9589103788	-1.7536432842	 0.124647
+H	-0.2915719352	 1.8316718208	-1.0661069973	 0.124037
+H	-0.6279931492	 1.9643853916	 0.6629625466	 0.142207
+19
+0 3517	2.0642627	1.7031771	1.3222092	3.4241	76.66	-0.23187	-0.02365	0.20822	1064.3008	0.157872	-422.5827	-422.574116	-422.573172	-422.615652	32.566
+O	-1.6366727214	-1.1444728383	 1.1896713262	-0.435309
+C	-0.7777090545	-1.347005064	 0.06754718	-0.00194
+C	-1.5455590238	-1.6629493686	-1.2033031699	-0.118627
+C	-2.4806823628	-0.8686462339	-1.7303358079	-0.04629
+C	-2.900644517	 0.4863696569	-1.1997298545	-0.243289
+C	-1.7540516012	 1.5143735212	-1.1187577526	-0.199214
+C	-0.7094476549	 1.2542094519	-0.0092801025	-0.289588
+C	 0.0343950856	-0.061179088	-0.1602126976	 0.39011
+O	 1.198253608	-0.1270848581	-0.478665259	-0.314106
+H	-2.3199128749	-1.8220328899	 1.1544099314	 0.286225
+H	-0.0511631874	-2.1430118214	 0.2708766341	 0.088766
+H	-1.2951847919	-2.5971170717	-1.6975325823	 0.100215
+H	-2.9831033894	-1.2097497232	-2.6328889114	 0.09981
+H	-3.6832687366	 0.8909695506	-1.8487413663	 0.100295
+H	-3.3444874549	 0.3728163452	-0.2035141001	 0.119946
+H	-1.2460729018	 1.5681622996	-2.0888908269	 0.112424
+H	-2.1874489631	 2.5045714644	-0.9367929695	 0.103488
+H	 0.0409691206	 2.0489457965	-0.0186442102	 0.114534
+H	-1.2148786986	 1.2549111609	 0.9618924289	 0.132552
+19
+0 3518	2.0512026	1.9068435	1.3928165	2.8264	77.9	-0.23706	-0.00391	0.23315	1022.4349	0.158454	-422.540952	-422.532799	-422.531855	-422.573594	31.563
+O	 1.6871466206	-1.159642061	-4.6272542033	-0.441023
+C	 2.3349475223	-0.0213960439	-4.0794453443	 0.032756
+C	 1.418769419	 0.8976451543	-3.280379309	-0.062624
+C	 0.542190932	 0.5645444598	-2.3334062392	-0.072868
+C	 0.2505631163	-0.8116249914	-1.7990316511	-0.151593
+O	 1.2839451773	-1.7684942676	-1.9892085394	-0.256095
+C	 2.4937121341	-1.5233252192	-1.2741100159	-0.140456
+C	 3.6351216885	-1.0080776852	-2.1089901477	-0.040899
+C	 3.5874920525	-0.3801813182	-3.283939619	-0.088755
+H	 1.5125714904	-1.7459109723	-3.8764257514	 0.289493
+H	 2.661387884	 0.5505925214	-4.9539322578	 0.085577
+H	 1.5174964831	 1.9538781053	-3.5215444379	 0.09406
+H	-0.0552282201	 1.3522797689	-1.8780722074	 0.090863
+H	 0.0060239226	-0.7408660751	-0.7275065464	 0.106895
+H	-0.6284009394	-1.2416487716	-2.2957889097	 0.13231
+H	 2.2983181221	-0.8349346591	-0.4370598841	 0.115428
+H	 2.7909876567	-2.4817366066	-0.8285628264	 0.119662
+H	 4.6111499618	-1.2075670118	-1.6690556586	 0.092473
+H	 4.532265246	-0.1037852268	-3.7449392616	 0.094797
+19
+0 3519	2.214825	1.5444729	0.9536403	4.5886	76.04	-0.22956	-0.08571	0.14384999999999998	1231.3425	0.155269	-422.604409	-422.595126	-422.594182	-422.638532	33.944
+C	-3.235640217	 1.3897998931	-0.8708996138	-0.404894
+C	-2.3081711196	 0.5468962635	 0.0012645952	-0.001919
+C	-2.1494800233	-0.9123165173	-0.4854677096	-0.348505
+C	-0.8507231898	-1.3994411102	 0.1344180896	 0.317547
+O	-0.4800672917	-2.5275331188	 0.3129426196	-0.277799
+C	-0.0441767692	-0.1267212861	 0.5390099869	 0.302157
+O	 1.0105708306	-0.139377976	 1.1143463343	-0.28828
+C	-0.856167217	 1.085157288	 0.0994503312	-0.102444
+C	-0.631505206	 2.3166547242	 0.9725954866	-0.41034
+H	-3.3305656002	 2.4099079236	-0.4865857921	 0.12399
+H	-2.8556835217	 1.4507664387	-1.8975885751	 0.117449
+H	-4.239631722	 0.9550998331	-0.9120771603	 0.121564
+H	-2.7162472842	 0.518898983	 1.0215920463	 0.088634
+H	-2.9871265043	-1.5691366953	-0.2397235125	 0.135917
+H	-2.0290475751	-0.9356714495	-1.5788220496	 0.133283
+H	-0.5158065628	 1.3018394513	-0.9283505576	 0.106528
+H	-1.0151063617	 2.1497523304	 1.9846107408	 0.12509
+H	 0.4374369199	 2.5291171083	 1.0551536046	 0.142081
+H	-1.1303951948	 3.197597156	 0.5599289955	 0.119942
+19
+0 3520	2.2153469	1.5448425	0.9723285	2.5504	80.45	-0.23594	-0.04165	0.19429000000000002	1222.5721	0.155125	-422.608445	-422.598603	-422.597659	-422.643835	35.015
+C	 0.7303864063	-2.2513957505	 0.6206572488	-0.49431
+C	-0.2054791708	-1.1665851258	 0.200029759	 0.177097
+C	 0.0261859867	 0.1558653842	 0.0926974056	 0.098345
+C	 1.2735167237	 0.9406584873	 0.3436990082	-0.496967
+C	-1.2034454942	 0.8502902062	-0.367004756	 0.336061
+O	-1.3022784943	 2.0343831476	-0.5997058984	-0.328115
+C	-2.3122210796	-0.1959144723	-0.5058184141	-0.37625
+C	-1.6398853947	-1.5364751944	-0.1598349167	 0.044629
+O	-2.2782107175	-2.2778704173	 0.8772982844	-0.425821
+H	 1.6787718285	-1.8692180786	 1.0028966085	 0.12877
+H	 0.2582717057	-2.8737422109	 1.3879493623	 0.146552
+H	 0.9461888928	-2.9176823518	-0.2250806023	 0.139121
+H	 2.1135120521	 0.3109582305	 0.6439940132	 0.120591
+H	 1.5569655785	 1.4967903191	-0.5564192985	 0.146338
+H	 1.1036678174	 1.6916905504	 1.1229904618	 0.142748
+H	-3.1308531293	 0.0237795686	 0.187163989	 0.129138
+H	-2.736134643	-0.1642292767	-1.5133228097	 0.133738
+H	-1.6480753714	-2.2219203844	-1.0155737117	 0.099707
+H	-2.3005915572	-1.7182857911	 1.6623708466	 0.278628
+19
+0 3521	2.1613199	1.6595657	1.0089455	4.9791	79.72	-0.25955	-0.02807	0.23148	1205.6031	0.155377	-422.627578	-422.617921	-422.616977	-422.662154	34.365
+C	-1.3686939944	-1.7532732461	-1.302874411	-0.398169
+C	-1.1015394999	-0.9330647971	-0.0423282148	 0.026934
+O	-2.1849230026	-0.0211687653	 0.1716798497	-0.240253
+C	-1.7030181868	 1.2599464384	 0.2361823939	 0.394535
+O	-2.4132703807	 2.2123214845	 0.4086053221	-0.353439
+C	-0.2289237664	 1.2144042103	 0.0656047221	 0.035389
+C	 0.5670146145	 2.476400613	 0.0976452935	-0.494321
+C	 0.1358375501	-0.0648034824	-0.0934078864	 0.200514
+C	 1.494045932	-0.6535852539	-0.285028719	-0.503014
+H	-0.5835983928	-2.5011567136	-1.4492555531	 0.121362
+H	-2.326008139	-2.2724508019	-1.2137530801	 0.139798
+H	-1.4043778071	-1.1022058292	-2.181045609	 0.130619
+H	-1.0598996997	-1.6048914256	 0.8275983101	 0.103852
+H	 0.3894901104	 3.0162159554	 1.0337937638	 0.148557
+H	 1.6391097379	 2.2921686072	-0.0016478594	 0.121105
+H	 0.2544486695	 3.148274073	-0.70913391	 0.147468
+H	 1.6987453919	-1.4218605958	 0.4706633383	 0.138382
+H	 1.5791759331	-1.1441508822	-1.26224776	 0.142574
+H	 2.27780915	 0.1038903213	-0.2197521806	 0.138107
+19
+0 3522	2.3246324	1.5212955	0.9697442	1.82	75.72	-0.23941	-0.03894	0.20047	1220.5459	0.154968	-422.615022	-422.605552	-422.604608	-422.649957	34.006
+C	-0.810390007	 2.2079193897	-1.1822758792	-0.403128
+C	-0.9822303796	 1.1803764434	-0.0630237841	-0.089405
+C	-2.3957117423	 0.5978339927	 0.1318733971	-0.342436
+C	-2.1697368286	-0.8250724473	 0.6469253924	 0.373785
+O	-2.8872972834	-1.4330980852	 1.3978776362	-0.303285
+C	-0.8462744029	-1.3283150898	 0.0723570257	-0.211708
+C	-0.1074717853	-2.3839746644	 0.8889131405	-0.399815
+C	-0.0640600439	-0.04568516	-0.2255343265	 0.390371
+O	 1.1010651083	 0.0053852189	-0.525100089	-0.320445
+H	-1.1644166491	 1.8072683808	-2.138477888	 0.119016
+H	-1.3744475837	 3.1203969063	-0.9695287247	 0.121539
+H	 0.2453303284	 2.4665964527	-1.2941998325	 0.14484
+H	-0.6585987551	 1.6382336029	 0.8839044827	 0.118435
+H	-3.0390319205	 1.1627909025	 0.8087588958	 0.132564
+H	-2.9148884673	 0.5276090013	-0.8343197582	 0.129165
+H	-1.0978586626	-1.7413484465	-0.9201592238	 0.136646
+H	 0.1331196969	-2.0045474342	 1.8861400896	 0.12852
+H	-0.7281740972	-3.2741772554	 1.0101729773	 0.13704
+H	 0.8265274448	-2.6563320483	 0.3926653089	 0.138301
+19
+0 3523	2.4401988	1.4772181	1.0919308	2.9844	77.27	-0.23995	-0.01964	0.22031	1154.1529	0.156777	-422.593692	-422.584692	-422.583748	-422.627589	33.441
+C	-1.0755205035	 1.7459026299	-1.4291850644	-0.400638
+C	-0.8978034164	 1.2512727436	 0.0258946748	-0.120206
+C	-2.2220971136	 1.10769735	 0.7344337631	-0.061814
+C	-2.7268112893	-0.0441636164	 1.1770119227	-0.110543
+C	-2.0145397136	-1.3676870864	 1.0534471577	 0.077793
+O	-1.5043741656	-1.7960620132	 2.3156033509	-0.42766
+C	-0.9171630421	-1.3213887471	-0.0316469159	-0.323212
+C	-0.0946293307	-0.0496278645	 0.0463111029	 0.362403
+O	 1.1126625123	-0.0469494856	 0.1151374683	-0.318623
+H	-1.6489227717	 1.0293343222	-2.025303774	 0.124796
+H	-1.6154971131	 2.6976624705	-1.4423590402	 0.12418
+H	-0.1013325489	 1.8952685951	-1.9024634035	 0.138636
+H	-0.2842621275	 1.9951909779	 0.549084814	 0.106505
+H	-2.7804022901	 2.0312299728	 0.8787437479	 0.099088
+H	-3.6771694238	-0.0577650052	 1.7036088073	 0.100525
+H	-2.7326665194	-2.1494745728	 0.7826471449	 0.096612
+H	-0.9826233828	-1.0738682402	 2.6834532668	 0.283038
+H	-0.2605665281	-2.1893058485	 0.0525208892	 0.128116
+H	-1.407935922	-1.3446551221	-1.0140059024	 0.121006
+19
+0 3524	2.3904126	1.5183256	1.1322791	4.0686	77.32	-0.23128	-0.02134	0.20994000000000002	1134.4602	0.156851	-422.589241	-422.580228	-422.579284	-422.623075	33.45
+C	-1.5138957926	-1.730224446	-2.3693302852	-0.385908
+C	-2.0312954413	-1.2499156319	-0.998484042	-0.042903
+C	-0.9168241042	-1.2889652955	 0.0777221894	-0.324498
+C	-0.0201151763	-0.0747441327	-0.0671958347	 0.393739
+O	 1.1604841923	-0.1330915684	-0.3136004722	-0.317192
+C	-0.7559407063	 1.2639440834	 0.0965174065	 0.008101
+O	-0.95177713	 1.539577856	 1.4916435476	-0.434072
+C	-2.062764252	 1.249819888	-0.6495106254	-0.129749
+C	-2.6308228007	 0.1312990257	-1.106751216	-0.053633
+H	-1.1837092961	-2.7721297828	-2.3127894373	 0.12172
+H	-2.2974187149	-1.6631013421	-3.13043048	 0.117771
+H	-0.6669187394	-1.1222406037	-2.7021408678	 0.137071
+H	-2.8277568618	-1.9397397659	-0.6898443479	 0.087025
+H	-1.3774573352	-1.2574363911	 1.0728241944	 0.111706
+H	-0.316935246	-2.1986766846	 0.0042806165	 0.118132
+H	-0.0897631903	 2.0502153446	-0.2713847867	 0.106785
+H	-1.7992532073	 1.1569782474	 1.7430555627	 0.282418
+H	-2.558187823	 2.2101001345	-0.771269636	 0.103863
+H	-3.5845922547	 0.195593905	-1.627287726	 0.099623
+19
+0 3525	2.5188309	1.4533687	1.0677323	4.0484	78.37	-0.25838	0.00327	0.26165	1184.9558	0.15648	-422.604576	-422.595545	-422.5946	-422.639391	33.028
+C	-2.5895598056	 2.4531447326	 0.8478253052	-0.386506
+C	-1.7137738417	 1.2945472519	 1.330812794	 0.088855
+O	-0.5712242678	 1.2288329821	 0.4548998368	-0.250499
+C	-0.163426608	 0.136462681	-0.227799336	 0.420449
+O	 0.800157179	 0.233028502	-0.9406054479	-0.333837
+C	-0.9213823633	-1.1818462636	-0.079475865	-0.203494
+C	-1.2764660503	-1.7319987836	-1.4768319236	-0.385807
+C	-2.1169748824	-1.1023185867	 0.8216607523	-0.065398
+C	-2.4700340779	 0.0107435143	 1.4495009989	-0.090556
+H	-3.4060457632	 2.6303483261	 1.5545208158	 0.120075
+H	-1.9930541482	 3.364943957	 0.7667010169	 0.136996
+H	-3.0195943716	 2.2243734361	-0.1313950794	 0.129001
+H	-1.3035961662	 1.5607322869	 2.316060346	 0.107526
+H	-0.1894994457	-1.87644331	 0.3588126797	 0.122994
+H	-1.7065020403	-2.7342828018	-1.3899488582	 0.114491
+H	-2.0101216763	-1.0896523082	-1.9735903157	 0.123091
+H	-0.3792649061	-1.7807584981	-2.0955692102	 0.148937
+H	-2.69958046	-2.0125791547	 0.9412450744	 0.100753
+H	-3.3417940045	 0.0428017567	 2.0969793861	 0.102927
+19
+0 3526	1.9581481	1.5920988	1.2326284	2.5937	76.71	-0.24195	-0.04171	0.20024	1126.892	0.153543	-422.577325	-422.567476	-422.566532	-422.612622	35.057
+C	-3.0675476336	-0.0389139283	-1.3351153643	-0.397702
+C	-2.1915298289	 0.0336965378	-0.087926856	-0.043306
+C	-1.1055960552	-1.0913459332	-0.0012213339	-0.361551
+C	-0.0214388258	-0.0198641673	-0.1345145813	 0.366071
+O	 1.1650504212	-0.0309191507	-0.2907685555	-0.298566
+C	-1.0573346327	 1.1253217197	-0.0344069083	 0.086743
+C	-0.9353320408	 1.8475182811	 1.3248616304	-0.443384
+C	-0.9357328134	 2.1779406313	-1.1135457445	 0.109671
+O	-1.8486432353	 2.6427255369	-1.7465621919	-0.254187
+H	-3.702276981	-0.9303233954	-1.286727586	 0.111514
+H	-3.7040782668	 0.8418440284	-1.4324101544	 0.142111
+H	-2.4657312728	-0.1084959795	-2.247245881	 0.117604
+H	-2.8239108748	 0.077675537	 0.8026084375	 0.079187
+H	-1.0564326408	-1.6271072241	 0.9516335405	 0.135169
+H	-1.1135179003	-1.8295854968	-0.8090884849	 0.135608
+H	-0.9203618962	 1.1247205479	 2.1463182217	 0.130085
+H	-0.0124340018	 2.4334595143	 1.3758142804	 0.141251
+H	-1.7866418926	 2.5194581946	 1.4706304977	 0.140958
+H	 0.1105842816	 2.5274069759	-1.2632861163	 0.102725
+19
+0 3527	2.1813433	1.6577651	1.2272592	3.3163	75.85	-0.22792	-0.03145	0.19647	1103.2616	0.155573	-422.544438	-422.535505	-422.534561	-422.57862	32.452
+C	-2.8109333057	-0.169621326	-1.5341332745	-0.387351
+C	-2.1703551105	-0.0353376575	-0.1556932127	-0.096333
+C	-1.0497415734	-1.0844884093	 0.1331434031	-0.363352
+C	-0.0153741156	 0.0179727306	-0.1661165761	 0.339059
+O	 1.1483290997	 0.0294092823	-0.4405396782	-0.29796
+C	-1.1094774126	 1.1077430973	-0.0822970064	 0.36266
+C	-1.0526861806	 2.0927421464	 1.1137103584	-0.35368
+C	-1.0202916367	 3.1757737809	 0.0176228233	-0.071668
+O	-1.1385731213	 2.1795155173	-1.02354607	-0.307528
+H	-3.447815895	-1.0584353343	-1.579985806	 0.115188
+H	-3.4190064507	 0.7081404181	-1.7686058861	 0.128502
+H	-2.0504653288	-0.2574650228	-2.3177799146	 0.128018
+H	-2.9373471149	 0.0337483492	 0.6205992569	 0.07292
+H	-1.0032032605	-1.4229172941	 1.1729596257	 0.128769
+H	-1.0060888218	-1.9588040755	-0.5214956976	 0.131509
+H	-1.9459963357	 2.0888093925	 1.7409580773	 0.117893
+H	-0.1625791065	 2.0246529905	 1.7406434861	 0.127279
+H	-1.8598685281	 3.8794276123	 0.0040180234	 0.108306
+H	-0.0803448213	 3.732196302	-0.0629830519	 0.117768
+19
+0 3528	2.0537876	1.7020902	1.11553	3.3889	75.52	-0.24156	-0.0314	0.21016	1137.9684	0.155607	-422.538949	-422.53002	-422.529076	-422.573542	32.274
+C	-3.1199504945	-0.098581471	-1.2097410262	-0.414291
+C	-2.1221133575	-0.1298594273	-0.0604705433	-0.063681
+C	-0.9528095105	-1.164726239	-0.160224786	-0.373655
+C	 0.020816868	-0.0192813246	 0.1430292519	 0.351928
+O	 1.1883305229	 0.0469284115	 0.4027644221	-0.298725
+C	-1.0865270541	 1.0351110352	 0.0607983254	 0.157499
+C	-0.9608864802	 2.1978527219	-0.9569440365	-0.123452
+O	-1.0479294367	 3.1895488321	 0.0803524782	-0.269514
+C	-1.1709404979	 2.1760368376	 1.0950050317	-0.12743
+H	-3.7053702267	-1.0233912713	-1.237277175	 0.123768
+H	-3.8219476743	 0.7362660623	-1.1117901804	 0.126063
+H	-2.6144251803	 0.0006130391	-2.1768480754	 0.118313
+H	-2.6555395514	-0.2440954782	 0.8894236017	 0.083284
+H	-0.9435145056	-1.9997722874	 0.5450377882	 0.131838
+H	-0.8091532604	-1.5660532494	-1.1702171916	 0.131494
+H	-0.0036752543	 2.2423099263	-1.4904883245	 0.116471
+H	-1.7849334272	 2.2781319667	-1.6762296118	 0.106529
+H	-0.3409249186	 2.2062098008	 1.8114742907	 0.120399
+H	-2.1261922509	 2.2390379647	 1.6327272608	 0.103162
+19
+0 3529	2.2527716	1.6423755	1.1745739	4.2026	74.97	-0.26271	0.0124	0.27511	1115.383	0.156957	-422.579645	-422.571035	-422.57009	-422.613027	31.809
+C	-2.8193497452	-0.4021308669	-1.3356145724	-0.407142
+C	-1.9760227236	-0.1834564439	-0.1002654046	 0.069401
+O	-0.7211997472	-0.9620236758	-0.1489986455	-0.273336
+C	 0.0407077392	 0.1721080129	-0.0366912417	 0.439394
+O	 1.2284368291	 0.2546420212	-0.0049984625	-0.341546
+C	-1.1563125814	 1.1145498339	 0.0259142179	 0.110471
+C	-1.1829732257	 2.3189209975	-0.9530818926	-0.280788
+C	-0.767796867	 3.2335048299	 0.231040595	-0.208683
+C	-1.2215953786	 2.1163510857	 1.2083268301	-0.284019
+H	-3.1172000065	-1.4515897978	-1.4142557547	 0.137617
+H	-3.7283771131	 0.206460941	-1.2859934937	 0.125515
+H	-2.2681555792	-0.130732028	-2.2405592698	 0.13127
+H	-2.5178488047	-0.4497657819	 0.8129850062	 0.09502
+H	-0.5198084307	 2.2714890265	-1.8190967628	 0.119327
+H	-2.2019341368	 2.523776897	-1.2949437873	 0.10787
+H	 0.3145644926	 3.3744856565	 0.2634844065	 0.129737
+H	-1.2572541382	 4.2056245304	 0.3126406983	 0.102787
+H	-0.591007371	 1.9039790507	 2.0741493837	 0.119989
+H	-2.2538484719	 2.2556070311	 1.54391362	 0.107115
+19
+0 3530	2.1019107	1.7365253	1.1497731	2.894	76.1	-0.23352	-0.01992	0.2136	1111.7799	0.155894	-422.552507	-422.543647	-422.542703	-422.586296	32.911
+O	-2.9970052257	-0.1200286261	 1.075444337	-0.43047
+C	-2.0968384931	-0.2200028919	-0.0016040664	 0.018916
+C	-0.8273682202	-1.1135685965	 0.18267269	-0.396195
+C	-0.0037143553	 0.0964842542	-0.2880022403	 0.356216
+O	 1.1159403923	 0.2391944271	-0.6929774381	-0.308218
+C	-1.2007952318	 1.0358290291	-0.1529894096	 0.232734
+C	-1.3863674251	 2.2060651816	-1.1478544494	-0.294426
+C	-0.8327348982	 3.173704899	-0.0680492508	-0.207144
+C	-1.100028488	 2.0839423859	 1.0023173956	-0.264851
+H	-3.5006749095	-0.9380716447	 1.1300593373	 0.288997
+H	-2.6174878814	-0.4515841666	-0.9417689296	 0.075879
+H	-0.6476267042	-1.3283744948	 1.2418284925	 0.135234
+H	-0.7345462544	-2.0347917081	-0.3972863971	 0.122822
+H	-0.836412845	 2.1306603572	-2.0889084623	 0.111145
+H	-2.4454789755	 2.3788794059	-1.3615271897	 0.107406
+H	 0.2362814073	 3.3526906501	-0.2037429163	 0.120606
+H	-1.3394864558	 4.1327378975	 0.0579032976	 0.098746
+H	-0.3369460507	 1.9165534375	 1.7657720364	 0.105808
+H	-2.0721543856	 2.1929571437	 1.4878693434	 0.126795
+19
+0 3531	2.069666	1.4526181	0.9883826	2.4494	77.76	-0.24405	-0.03586	0.20819	1254.9408	0.15364	-422.589405	-422.57963	-422.578686	-422.624755	34.763
+C	-3.2826948984	 0.6402534229	-0.9392984619	-0.414669
+C	-2.1175880645	 0.4175458656	 0.0133957452	 0.015377
+C	-0.7063312766	 0.9046958468	-0.4521261561	-0.360269
+C	-0.1554666162	-0.4816721868	-0.1162547691	 0.393754
+O	 0.9370431207	-0.9603801346	-0.0252994715	-0.290585
+C	-1.5814683084	-1.0349037726	 0.1579325641	-0.236722
+C	-1.7487277401	-1.7542884816	 1.4885874661	 0.370238
+C	-1.0721976857	-3.1042276473	 1.5785652892	-0.486436
+O	-2.3447000078	-1.2459864381	 2.4098641646	-0.293815
+H	-4.1911327078	 0.1538507811	-0.5695604992	 0.129091
+H	-3.4994989173	 1.707381883	-1.0542105234	 0.123129
+H	-3.0657691377	 0.2360564694	-1.9354122365	 0.11114
+H	-2.3582281607	 0.8008929223	 1.0078001792	 0.109814
+H	-0.6427399237	 1.110805095	-1.5270264573	 0.13202
+H	-0.2453228483	 1.7375362519	 0.0858251508	 0.136905
+H	-1.8755647722	-1.7039264354	-0.6610496552	 0.113446
+H	-1.1541993622	-3.5003728294	 2.5912824666	 0.140864
+H	-1.5316891168	-3.8038832806	 0.8707163909	 0.137457
+H	-0.0204053363	-3.0012734316	 1.2871227034	 0.169261
+19
+0 3532	2.1482405	1.3800801	0.8947657	4.2914	76.56	-0.24095	-0.02083	0.22011999999999998	1302.3781	0.154971	-422.538577	-422.529448	-422.528504	-422.573234	32.935
+C	-3.0973955536	-0.0557696844	 1.1015132149	-0.41253
+C	-2.0846768757	 0.1684201047	-0.010944457	 0.007422
+C	-0.9782517813	 1.2506821047	 0.1992417504	-0.361077
+C	 0.0226676973	 0.2460132351	-0.3866455777	 0.382743
+O	 1.0921914947	 0.3456951807	-0.9122676007	-0.291009
+C	-0.9751524514	-0.9208877409	-0.2219831988	-0.129467
+C	-1.1103775005	-1.9240048799	-1.3322341669	 0.073012
+C	-1.7698118272	-3.2234859899	-1.1301499186	-0.184166
+O	-0.3498017023	-3.127034697	-1.2195451406	-0.226039
+H	-3.7337347615	-0.9219469099	 0.8909496588	 0.121724
+H	-2.5949056204	-0.2339002102	 2.0592171919	 0.117492
+H	-3.7508434955	 0.8143316538	 1.2243404319	 0.123644
+H	-2.6000854148	 0.3513790475	-0.9603459199	 0.085183
+H	-1.0711179748	 2.2105358511	-0.3138238396	 0.128645
+H	-0.7774590364	 1.4366746261	 1.260912633	 0.128822
+H	-0.7700419927	-1.4466434015	 0.719183771	 0.10605
+H	-1.1208588773	-1.5032416615	-2.3389427081	 0.099746
+H	-2.1608065295	-3.4808951798	-0.1461833915	 0.112093
+H	-2.261844337	-3.7159241585	-1.9677659825	 0.117713
+19
+0 3533	2.3264684	1.3147417	0.9124396	4.1987	75.8	-0.26085	0.01296	0.27381	1301.5102	0.156507	-422.574012	-422.565136	-422.564192	-422.608217	32.365
+C	-2.8964779858	-0.2037685566	-1.3270709865	-0.41047
+C	-2.0021906831	-0.1707788692	-0.1092303486	 0.140901
+O	-0.8520655256	-1.0842049153	-0.2451197336	-0.262043
+C	 0.0477351487	-0.0692455998	-0.0452014727	 0.448547
+O	 1.2328135993	-0.1481987532	 0.008561283	-0.328085
+C	-1.0294875463	 1.0194817573	 0.0779623805	-0.228794
+C	-1.0663418906	 1.810785687	 1.3562781205	 0.017481
+C	-0.3249238454	 3.1198082435	 1.4551128647	-0.261717
+C	-1.8313909565	 3.1126612944	 1.4245373967	-0.279834
+H	-3.3309429233	-1.1985857903	-1.4613320091	 0.137972
+H	-3.7154510596	 0.5137176517	-1.2109366666	 0.128161
+H	-2.3345913991	 0.0511817356	-2.2308372034	 0.129093
+H	-2.5492181239	-0.4286390947	 0.8027399249	 0.097215
+H	-1.0146190665	 1.687925256	-0.7895950114	 0.102591
+H	-1.0769270532	 1.2020192668	 2.2565581976	 0.093311
+H	 0.1730640788	 3.3512920014	 2.3893688961	 0.122042
+H	 0.2028689294	 3.4691931281	 0.5744572862	 0.122349
+H	-2.3687893076	 3.3413734297	 2.3378419816	 0.1184
+H	-2.3232187397	 3.459960448	 0.5216965701	 0.11288
+19
+0 3534	2.3916045	1.3477376	0.9776511	3.2183	76.75	-0.23388	-0.01658	0.2173	1243.2045	0.155491	-422.545311	-422.536246	-422.535302	-422.579828	33.367
+O	-2.5780351151	-0.3624010265	-1.4896301698	-0.425135
+C	-2.1807856214	-0.1336245251	-0.1533970804	 0.083028
+C	-1.1224087525	-1.1633490861	 0.3495967606	-0.373911
+C	-0.0436007113	-0.1333233558	-0.0390694065	 0.387058
+O	 1.1274210908	-0.2009584963	-0.2664970744	-0.292523
+C	-1.0963030008	 0.9939948317	-0.1405261152	-0.121311
+C	-1.0274993301	 2.0002687075	-1.2517964802	 0.031936
+C	-1.6784718245	 3.3554379209	-1.1031586316	-0.27801
+C	-0.1763874185	 3.2354949691	-1.0928703605	-0.265913
+H	-3.0914836703	-1.1758659497	-1.5165152426	 0.288192
+H	-3.0439207117	 0.0290403711	 0.5023279185	 0.069505
+H	-1.1513696837	-1.3276812194	 1.4320047076	 0.126249
+H	-1.0875311511	-2.1284704806	-0.1619473232	 0.122805
+H	-1.1252258341	 1.4993022247	 0.8347797657	 0.096424
+H	-1.0600378829	 1.561278659	-2.242227678	 0.102261
+H	-2.1578931308	 3.7875499197	-1.974283601	 0.114377
+H	-2.1776739084	 3.580915793	-0.1662170292	 0.105778
+H	 0.3781046969	 3.5848106714	-1.956287528	 0.115834
+H	 0.3406197897	 3.3785612114	-0.1500214418	 0.113357
+19
+0 3535	2.4313675	1.0759656	0.7923491	4.1285	77.23	-0.2459	-0.02956	0.21634	1435.9437	0.154037	-422.575893	-422.566207	-422.565263	-422.611473	34.043
+C	-1.5897110852	 4.1742416018	 1.9142271392	-0.411805
+C	-2.025878468	 2.7327792222	 1.7031839608	 0.006184
+C	-3.3660061646	 2.4697819394	 0.9435380147	-0.35548
+C	-2.6306569486	 1.3746009411	 0.1630325527	 0.38936
+O	-2.9779545859	 0.4004790973	-0.4428611569	-0.298547
+C	-1.2573864901	 1.8858811648	 0.6288750811	-0.113218
+C	-0.2012679807	 0.8630710454	 1.0568156208	-0.305293
+C	 0.3381544523	 0.0757390867	-0.1242466725	 0.147315
+O	 1.5051627669	 0.0156862474	-0.4167217437	-0.2402
+H	-2.2630848022	 4.6950071596	 2.6029293875	 0.12469
+H	-0.5793081831	 4.2267186852	 2.3334950111	 0.125559
+H	-1.5882990686	 4.7260480646	 0.9672355972	 0.118336
+H	-2.0294794141	 2.1924639594	 2.6557989357	 0.086721
+H	-4.2454061442	 2.159690089	 1.5123947268	 0.131749
+H	-3.6460182349	 3.3048064181	 0.290781934	 0.131595
+H	-0.8480950976	 2.558577927	-0.137803743	 0.109953
+H	 0.6388057577	 1.3477358773	 1.5637787627	 0.123476
+H	-0.6601291662	 0.1473926562	 1.7535537331	 0.121277
+H	-0.4395645926	-0.4490249026	-0.7182862713	 0.108328
+19
+0 3536	2.2693293	1.6079107	1.260895	4.0406	75.4	-0.23522	-0.00771	0.22751000000000002	1083.0062	0.156589	-422.586902	-422.578173	-422.577229	-422.620023	33.199
+C	-0.2493230763	-2.5078295591	 0.4448393638	-0.485033
+C	-0.772585592	-1.2188998193	-0.1331923527	 0.240331
+C	-1.5568742512	-1.2027335751	-1.4455098748	-0.34163
+C	-2.2287939583	-0.7861819447	-0.1765594883	-0.115233
+C	-2.3197538725	 0.7147950525	 0.1037637954	 0.121382
+O	-2.6318625555	 0.963699604	 1.4697849521	-0.435148
+C	-0.8971051145	 1.2462752092	-0.1218814901	-0.35565
+C	 0.0250096199	 0.0348093874	 0.0806013001	 0.376107
+O	 1.186413121	 0.0764774926	 0.4026406624	-0.335029
+H	-0.1575006133	-2.4406634516	 1.533414746	 0.131501
+H	-0.9102065593	-3.3466953481	 0.2070902742	 0.109984
+H	 0.7450659179	-2.727871601	 0.0450329675	 0.138876
+H	-1.3258799995	-0.4614807644	-2.203801667	 0.119376
+H	-1.8055913139	-2.1798299415	-1.8457135912	 0.122414
+H	-3.003981782	-1.4248369683	 0.2372992269	 0.085286
+H	-3.0550210126	 1.2036367794	-0.5523315955	 0.068945
+H	-3.4864113942	 0.5630657351	 1.6599991264	 0.281661
+H	-0.7602112509	 1.6485452026	-1.131189991	 0.126283
+H	-0.6544543528	 2.0392948202	 0.5866479461	 0.145577
+19
+0 3537	2.3263377	1.5955181	1.2393383	2.8685	74.87	-0.23777	-0.02553	0.21224	1100.5654	0.155655	-422.581728	-422.572833	-422.571889	-422.615162	33.146
+C	-2.9318040951	-1.2103635759	-1.3219712356	-0.402121
+C	-2.3579694358	-0.8156497212	 0.0437958965	-0.027656
+C	-0.8999740601	-1.303385754	 0.2434149189	-0.350932
+C	-0.0104788059	-0.1099128719	-0.1249155032	 0.378796
+O	 1.1278187973	-0.1492290749	-0.517658875	-0.318073
+C	-0.8390857759	 1.1475263676	 0.0287824849	 0.288245
+C	-0.347315594	 2.4668245294	-0.4813865664	-0.495718
+O	-1.5073120786	 1.1157439396	 1.3167652217	-0.297859
+C	-2.2400320787	 0.6995202715	 0.1683923854	-0.008959
+H	-3.0175889994	-2.2974540572	-1.4079917736	 0.125631
+H	-3.928210166	-0.7819858554	-1.4734867351	 0.119635
+H	-2.2894474948	-0.8607723037	-2.1384857923	 0.122797
+H	-3.0124787383	-1.1992129616	 0.834210184	 0.089465
+H	-0.702504088	-1.5678291315	 1.2869571202	 0.142025
+H	-0.6413721402	-2.1686212197	-0.3708652289	 0.126546
+H	 0.606187292	 2.7230615011	-0.0103022227	 0.145209
+H	-0.1793931932	 2.4202820919	-1.5615406264	 0.134688
+H	-1.0708007061	 3.2566038129	-0.2666533556	 0.129827
+H	-3.068882059	 1.343804433	-0.1197646368	 0.098452
+19
+0 3538	2.321289	1.6065037	1.2580175	2.7451	75.61	-0.24152	-0.02058	0.22094000000000003	1081.8525	0.156443	-422.584085	-422.575507	-422.574563	-422.616977	33.112
+C	-2.9765332122	-1.1713151696	-1.2268661608	-0.39858
+C	-2.3666076753	-0.8007214353	 0.1295854364	 0.008708
+C	-0.8692784706	-1.2108680043	 0.2139735513	-0.36063
+C	-0.1043776267	 0.057787298	-0.1471495435	 0.344556
+O	 0.9558124669	 0.1504305165	-0.7262129459	-0.35525
+C	-0.9407079892	 1.2426969374	 0.1827373892	 0.359148
+O	-0.5758225578	 2.4327466039	-0.4134103405	-0.477668
+C	-1.6211702786	 1.2412597009	 1.5371267402	-0.368413
+C	-2.3645704919	 0.7191586414	 0.3389657627	-0.101489
+H	-2.9743362952	-2.2554961487	-1.3769092799	 0.117861
+H	-4.0117511453	-0.8225305384	-1.2999650074	 0.118898
+H	-2.4124780038	-0.7166791336	-2.0493425983	 0.126336
+H	-2.9439657947	-1.2893619406	 0.9236005132	 0.07884
+H	-0.5820001719	-1.5292828105	 1.2229046398	 0.130223
+H	-0.6025783751	-2.0224283405	-0.4661719554	 0.131046
+H	 0.2622897331	 2.2371106548	-0.8611514379	 0.294534
+H	-1.2969725032	 0.565405436	 2.3229110963	 0.115077
+H	-1.8919124245	 2.2352701936	 1.8761295123	 0.134685
+H	-3.197163224	 1.3007587788	-0.041858882	 0.102119
+19
+0 3539	2.666781	1.5719343	1.1479209	4.3593	75.48	-0.25893	0.01473	0.27366	1114.9607	0.156855	-422.603679	-422.595034	-422.59409	-422.636589	32.579
+C	-3.1562271744	-1.6127141674	-0.051677146	-0.397655
+C	-2.0640603882	-0.731632337	-0.6357530563	 0.109643
+O	-0.7981212942	-1.0673673315	-0.0201983524	-0.245579
+C	-0.0418296273	 0.0458944678	 0.2163849426	 0.40634
+O	 1.1179609945	-0.0175046093	 0.5092441196	-0.350764
+C	-0.884491929	 1.2784078806	 0.0496322162	 0.177059
+C	-0.1933561193	 2.5537550613	-0.3570958602	-0.482272
+C	-2.0915344993	 1.2686843961	 0.9754248582	-0.327016
+C	-2.2222057207	 0.7691710875	-0.4328422374	-0.113903
+H	-3.2922617761	-1.4175793188	 1.0153163167	 0.127416
+H	-4.1039514185	-1.4179515536	-0.5633807976	 0.121926
+H	-2.9045118112	-2.6683922144	-0.1820460802	 0.135552
+H	-1.9615295574	-0.9419754507	-1.7087422026	 0.09419
+H	 0.5887916664	 2.8039053467	 0.3655167271	 0.146316
+H	 0.2818346412	 2.4544708351	-1.3382303049	 0.129018
+H	-0.9016809906	 3.3858376834	-0.4027435786	 0.115449
+H	-2.1190964015	 0.5652593795	 1.8010673103	 0.13114
+H	-2.5194108467	 2.2402616602	 1.1976390123	 0.122658
+H	-2.8161542878	 1.3239895945	-1.1493441569	 0.10048
+19
+0 3540	2.451361	1.6010494	1.2038727	2.0183	76.36	-0.23675	-0.02147	0.21528	1097.7816	0.155954	-422.571117	-422.562528	-422.561584	-422.604413	32.586
+C	-3.0541046895	-0.9231221016	 0.9627016633	-0.392485
+C	-2.3811092678	-0.8315497769	-0.4050176033	 0.093516
+C	-0.9309481699	-1.3425323443	-0.4105050614	-0.351357
+C	-0.1153194664	-0.0666118275	-0.1950163976	 0.32985
+O	 1.0458354276	 0.0250087053	 0.1173819358	-0.329849
+C	-1.0604025958	 1.0640099178	-0.4405020204	 0.330488
+C	-0.5883796029	 2.3700111653	-1.0100620963	-0.318974
+C	-0.9852253303	 2.2992285473	 0.4395228585	-0.312346
+O	-2.29417454	 0.5422889696	-0.848087617	-0.31055
+H	-2.4483103598	-0.4373535863	 1.7350150878	 0.124877
+H	-4.0317228748	-0.4348135701	 0.9354493033	 0.128276
+H	-3.1962789396	-1.9701774033	 1.2504150725	 0.117781
+H	-2.9960922562	-1.3402040729	-1.1522236189	 0.089001
+H	-0.7070593152	-2.0914575434	 0.3514530686	 0.133293
+H	-0.6548121498	-1.7588127943	-1.3860591576	 0.13881
+H	 0.4664549922	 2.441697625	-1.2521643307	 0.136662
+H	-1.2684639932	 2.8585563709	-1.6985801662	 0.131516
+H	-0.2033884923	 2.3241541982	 1.1909003086	 0.134043
+H	-1.9377098062	 2.7317933912	 0.7235001512	 0.127451
+19
+0 3541	2.81839	1.3364935	0.9997408	3.6923	76.14	-0.2384	-0.03172	0.20668	1213.7106	0.1563	-422.570361	-422.561799	-422.560855	-422.603599	32.276
+C	-3.2738948828	-1.5644423308	 1.0172397293	-0.401708
+C	-2.0159458516	-0.7051124092	 0.9234871382	 0.015554
+C	-0.9713516526	-1.2060887338	-0.0969963888	-0.338916
+C	-0.1332859118	 0.0222065951	-0.4387361994	 0.342905
+O	 0.9545737143	 0.0521204436	-0.9525454798	-0.314594
+C	-0.9262361845	 1.2422206268	 0.0098154913	 0.352713
+C	-0.2010171368	 2.4246728781	 0.5141388399	-0.234767
+O	-0.8052690405	 2.4262430507	-0.7723612695	-0.268406
+C	-2.280363494	 0.7580420518	 0.4890218152	-0.331116
+H	-3.9819155324	-1.1521998249	 1.7439372394	 0.117719
+H	-3.783226952	-1.6184092282	 0.0480842643	 0.117901
+H	-3.0343531575	-2.5868927434	 1.3267759008	 0.118998
+H	-1.534553088	-0.6789428357	 1.9104529638	 0.084409
+H	-0.3518236029	-2.0390653591	 0.2427564359	 0.128527
+H	-1.4708996776	-1.5285562674	-1.0226122513	 0.131693
+H	-0.6820592785	 3.0507973165	 1.2649260871	 0.118015
+H	 0.887382877	 2.4131531112	 0.5139357655	 0.135116
+H	-2.7057041516	 1.3705909513	 1.287786332	 0.109547
+H	-2.9844130163	 0.7764313375	-0.353306374	 0.116413
+19
+0 3542	2.5902285	1.5270814	1.1684373	4.3251	75.43	-0.26185	0.01593	0.27778	1114.8917	0.157624	-422.600181	-422.591797	-422.590853	-422.633374	31.69
+C	-2.6723661953	-1.2410337179	-1.203281166	-0.393638
+C	-2.1997557055	-0.7719799461	 0.1666981755	 0.119365
+C	-2.264354317	 0.7617016188	 0.3703964325	-0.350983
+C	-0.8341889664	 1.1872886872	 0.1069215069	 0.190171
+C	-0.4026252723	 2.1984314807	-0.9423647304	-0.296267
+C	-0.2244319509	 2.5055364072	 0.511963554	-0.306662
+C	 0.0056393245	-0.0454554759	 0.2358876863	 0.411225
+O	 1.2027387655	-0.1280321546	 0.2490658206	-0.365479
+O	-0.806752004	-1.1299318981	 0.3370258655	-0.238039
+H	-2.4712976523	-2.3075501101	-1.3329564891	 0.136053
+H	-3.7493574548	-1.0747608223	-1.3081137237	 0.120178
+H	-2.1592927855	-0.693699205	-2.0007625758	 0.127774
+H	-2.7443911364	-1.3039046028	 0.9513638036	 0.096894
+H	-2.9914497004	 1.2243003332	-0.3017434716	 0.11279
+H	-2.5592899153	 0.9984137556	 1.3977734185	 0.116212
+H	 0.480927905	 1.9541023333	-1.5211505375	 0.140361
+H	-1.1911552857	 2.7058467916	-1.4878260332	 0.118503
+H	 0.7803511231	 2.4626376338	 0.9173536336	 0.14318
+H	-0.8850190863	 3.2326720915	 0.9718599305	 0.118362
+19
+0 3543	2.8356899	1.3278664	1.003684	3.4916	76.35	-0.23924	-0.01513	0.22411	1194.8468	0.156958	-422.58266	-422.574137	-422.573192	-422.615766	32.619
+O	-2.9501393985	-1.7196611982	 1.3207676204	-0.429806
+C	-1.9203245687	-0.766821478	 1.1371632227	 0.115213
+C	-0.8706334701	-1.3208685126	 0.169639071	-0.328123
+C	-0.2133180326	-0.0819205657	-0.4363406111	 0.346402
+O	 0.8505593243	-0.0368663082	-1.0061951304	-0.341874
+C	-1.121778308	 1.0890418125	-0.1840857904	 0.251481
+C	-1.0648282205	 2.2690415965	-1.1278986348	-0.306244
+C	-0.4450065456	 2.3931570604	 0.2244654807	-0.293419
+C	-2.3837042684	 0.552526193	 0.4707530067	-0.357387
+H	-3.5770248455	-1.3659583733	 1.9600452959	 0.283532
+H	-1.4358588434	-0.5317121984	 2.098262817	 0.075797
+H	-0.1403935127	-2.0002554657	 0.6121355136	 0.128929
+H	-1.3894380652	-1.8634247208	-0.6327158932	 0.140463
+H	-0.3992382645	 2.1639876093	-1.9780207312	 0.137386
+H	-1.9966380733	 2.7887879074	-1.3232265127	 0.117645
+H	 0.6373003186	 2.3740264759	 0.2886660021	 0.136566
+H	-0.9492682686	 2.9901426226	 0.9770766374	 0.116553
+H	-2.8376311592	 1.248708249	 1.1831506275	 0.094941
+H	-3.141243938	 0.3001104342	-0.2819028209	 0.111944
+19
+0 3544	2.4053587	1.604969	1.2080034	3.3425	75.79	-0.23362	-0.00733	0.22629	1084.8036	0.156644	-422.586287	-422.577681	-422.576737	-422.619149	33.164
+C	-3.4148687611	 1.6063923339	 0.1528556706	-0.478706
+C	-2.2763884844	 0.7385811788	-0.3266297082	 0.343545
+C	-1.5049980407	 1.1143349154	-1.54863988	-0.347862
+C	-0.8137918579	 1.1551424354	-0.1866114778	-0.17831
+C	-0.0241582146	-0.0645203799	 0.1477336508	 0.438145
+O	 1.0838436043	-0.0999482258	 0.6211050098	-0.336302
+C	-0.907201296	-1.2864005832	-0.1622207166	-0.385012
+C	-2.3545218371	-0.767779131	-0.0480168141	 0.057997
+O	-2.8458978077	-0.9054084984	 1.280407804	-0.435958
+H	-3.570943953	 1.4864142782	 1.2267308291	 0.145517
+H	-3.2146481441	 2.6612696863	-0.0577963121	 0.112779
+H	-4.3482126363	 1.336275688	-0.3549004519	 0.118341
+H	-1.2012042758	 0.3641575503	-2.2714246339	 0.117811
+H	-1.72450388	 2.0821899107	-1.9860942614	 0.123839
+H	-0.5006732001	 2.1080304832	 0.2208297414	 0.103844
+H	-0.6774682765	-1.6580374046	-1.1673726676	 0.125456
+H	-0.6955819459	-2.0966008374	 0.5389044904	 0.120661
+H	-3.0340987556	-1.2630255428	-0.7583827918	 0.06741
+H	-2.8862669776	-1.8438150771	 1.4883119993	 0.286804
+19
+0 3545	2.3687839	1.612779	1.1987706	4.0655	75.32	-0.23469	-0.00958	0.22511	1086.2827	0.156415	-422.582966	-422.57437	-422.573425	-422.615785	33.293
+C	-2.9501001787	-1.0705286814	-1.2497020619	-0.384273
+C	-2.346616456	-0.7667529365	 0.1267694087	-0.073715
+C	-0.8931102042	-1.2875361284	 0.2355504139	-0.358534
+C	 0.0018358104	-0.0897977279	-0.1250695241	 0.428747
+O	 1.1095812483	-0.1566377597	-0.5971226836	-0.333373
+C	-0.7710977812	 1.1553445141	 0.1568680867	-0.189075
+C	-1.4398391757	 1.2086322712	 1.5389069076	-0.364369
+C	-2.2194630784	 0.7506071055	 0.3526744345	 0.411567
+O	-3.2126439186	 1.5813777732	-0.1633607074	-0.467163
+H	-3.9379635656	-0.6175569823	-1.3577157698	 0.119498
+H	-2.3168745928	-0.6744661924	-2.0514256322	 0.126123
+H	-3.0428051567	-2.1510548708	-1.3949068308	 0.112664
+H	-2.9844031074	-1.2120921283	 0.9010641987	 0.069594
+H	-0.6468553004	-1.6145693316	 1.2526247354	 0.125014
+H	-0.6810824249	-2.1278421518	-0.4288069469	 0.128483
+H	-0.4774336888	 2.0864452496	-0.3093382501	 0.114671
+H	-1.1290832126	 0.5112760679	 2.3099567386	 0.120296
+H	-1.651271525	 2.2131128465	 1.8882203645	 0.126933
+H	-3.9507048217	 1.5876264133	 0.4562018383	 0.28691
+19
+0 3546	2.5434213	1.5261714	1.1321749	3.2708	75.34	-0.23836	-0.02637	0.21198999999999998	1126.8841	0.155721	-422.580963	-422.572177	-422.571233	-422.614134	33.114
+C	-3.1707717027	-1.226307623	 1.1800019459	-0.409243
+C	-2.1895923541	-0.7538164946	 0.1046828458	-0.043111
+C	-0.7388988519	-1.2563580373	 0.3112229251	-0.355894
+C	 0.1642517051	-0.1406468277	-0.2217455621	 0.417363
+O	 1.2667815132	-0.2597058133	-0.691864263	-0.317711
+C	-0.6283462152	 1.1364538594	-0.1393375345	-0.154526
+O	-1.2851996495	 1.2724431797	 1.1393160493	-0.289933
+C	-2.0517859039	 0.7738302334	 0.0384449346	 0.41133
+C	-3.1904464885	 1.6348436123	-0.4351687965	-0.490577
+H	-3.1907700099	-2.3189808185	 1.2352540513	 0.120424
+H	-2.8736425903	-0.8412945262	 2.1607559338	 0.134134
+H	-4.1909649124	-0.8867718534	 0.9749001641	 0.11688
+H	-2.5422665097	-1.091926136	-0.8786378525	 0.083618
+H	-0.5243361136	-1.3939670667	 1.3771201649	 0.1398
+H	-0.520025617	-2.1984175222	-0.194636123	 0.127896
+H	-0.2759809886	 2.0504923082	-0.6072814646	 0.108522
+H	-4.064302053	 1.5139317082	 0.2133962441	 0.135498
+H	-2.9046292472	 2.6891901316	-0.4249614551	 0.136793
+H	-3.4854768708	 1.3592977062	-1.4528250477	 0.128738
+19
+0 3547	2.4564268	1.5885864	1.1779098	4.7297	75.37	-0.25743	0.01346	0.27088999999999996	1105.9274	0.156855	-422.603482	-422.594908	-422.593964	-422.636307	32.53
+C	-3.1191938359	-1.6103843553	-0.0742390314	-0.403061
+C	-2.0372463431	-0.7034743704	-0.6381154165	 0.071226
+O	-0.7573682081	-1.0862707787	-0.0903133524	-0.248072
+C	 0.0240454544	 0.005828566	 0.1825763883	 0.445866
+O	 1.1939028096	-0.0897635292	 0.4156569165	-0.347375
+C	-0.8296090205	 1.2307267209	 0.1398635404	-0.243146
+C	-2.0216594588	 1.1785590651	 1.0846972709	-0.334693
+C	-2.1900311588	 0.7931360291	-0.3535752574	 0.321234
+C	-3.0428199494	 1.6106999783	-1.291711561	-0.490796
+H	-3.2106766517	-1.489782024	 1.0083902812	 0.127589
+H	-4.0841409852	-1.3731077623	-0.5331699075	 0.122364
+H	-2.8869687105	-2.6569580809	-0.287186086	 0.136384
+H	-1.9746351709	-0.8461533723	-1.726159388	 0.089551
+H	-0.3603678287	 2.1759258606	-0.0975544983	 0.115424
+H	-2.0303242985	 0.4198407731	 1.8603398551	 0.132098
+H	-2.4242881247	 2.1381613083	 1.3900406255	 0.123824
+H	-2.9989730241	 2.673576424	-1.0371380175	 0.126393
+H	-2.7104153906	 1.4991557335	-2.329696501	 0.126982
+H	-4.0937014245	 1.3037778642	-1.241289221	 0.12821
+19
+0 3548	2.6092502	1.6300725	1.2221127	2.9527	74.33	-0.22861	-0.01881	0.20980000000000001	1065.5256	0.15795	-422.571198	-422.563283	-422.562338	-422.603648	30.63
+C	-3.2504965732	-1.8735547711	-0.7633322927	-0.414093
+C	-2.3721657083	-1.0897688539	 0.2171270333	 0.014636
+C	-0.8610923011	-1.2417217017	-0.1292420382	-0.320777
+C	-0.0432523745	 0.0323681109	 0.0886107909	 0.39324
+O	 1.1445332954	 0.0484639552	 0.2984132306	-0.31812
+C	-0.9089751976	 1.2848203299	 0.0337996366	-0.009028
+C	-1.8924674355	 1.2170100358	 1.2249874678	-0.272506
+C	-2.7257472894	 0.4048612657	 0.2134662898	 0.098188
+O	-2.0081841049	 1.048194254	-0.8868856482	-0.29898
+H	-4.3050017574	-1.8361822485	-0.4705997384	 0.113593
+H	-3.1619711515	-1.4515917797	-1.7703963207	 0.134079
+H	-2.9515403749	-2.9254838319	-0.8096430027	 0.118214
+H	-2.5477991881	-1.4702312143	 1.231644284	 0.080729
+H	-0.3841102599	-2.0667482749	 0.40483513	 0.125809
+H	-0.7667604174	-1.4665094274	-1.199328219	 0.141695
+H	-0.3405002741	 2.1923459834	-0.1741290489	 0.099078
+H	-1.5654921285	 0.7296114173	 2.1467603697	 0.113426
+H	-2.3295975021	 2.1922225783	 1.4437168179	 0.120604
+H	-3.8033430471	 0.584106043	 0.1594484283	 0.080215
+19
+0 3549	2.4134036	1.7991176	1.2877843	4.5512	75.09	-0.25607	0.01879	0.27486	1034.7661	0.158874	-422.596253	-422.588566	-422.587622	-422.628233	30.115
+C	-2.8183692232	-1.8935070762	 1.2475428141	-0.402022
+C	-2.2863028775	-1.0886624847	 0.0694403329	 0.137385
+O	-0.8365549483	-1.1800023683	 0.0918309486	-0.255999
+C	-0.0644073411	-0.0599011376	 0.0258320682	 0.426687
+O	 1.1308889527	-0.1612088263	 0.0197450976	-0.339338
+C	-0.8299498895	 1.2453008551	-0.0247537725	-0.137704
+C	-1.940446436	 1.2037820159	 1.0653792785	-0.242477
+C	-2.7498085617	 0.3669905655	 0.0380939332	-0.027668
+C	-1.9705472873	 1.1130539249	-1.0763668276	-0.248047
+H	-2.3946425505	-2.9006672394	 1.2360774501	 0.137595
+H	-2.5575356843	-1.4242466768	 2.2005018757	 0.127095
+H	-3.9082414647	-1.9748912667	 1.1873677876	 0.118746
+H	-2.5952796995	-1.5751350304	-0.8653806323	 0.093311
+H	-0.1303693379	 2.0777424989	-0.0704057671	 0.093864
+H	-1.6958048354	 0.7613957532	 2.033762915	 0.113293
+H	-2.3798705906	 2.1921694291	 1.21679307	 0.110055
+H	-3.8409470079	 0.4159498265	 0.049139632	 0.07512
+H	-1.7571258429	 0.5781869268	-2.0060408883	 0.111153
+H	-2.4100253442	 2.0865842404	-1.3048342056	 0.108952
+19
+0 3550	2.5465893	1.6159072	1.2078371	2.1729	74.68	-0.23488	-0.00875	0.22613	1059.4152	0.158562	-422.58126	-422.573407	-422.572463	-422.613576	30.821
+O	-3.1337555544	-1.7555530312	-0.9889638381	-0.442845
+C	-2.4014584143	-1.0861663119	 0.0316806089	 0.120762
+C	-0.8723096462	-1.2831781603	-0.1363207701	-0.359398
+C	-0.0353196632	-0.0187456361	 0.0996746911	 0.409317
+O	 1.1419996463	-0.065198376	 0.3636462207	-0.32998
+C	-0.8201888665	 1.2680154325	-0.0268842704	-0.11117
+C	-1.9810996895	 1.1886576447	 1.0201201921	-0.248541
+C	-2.7754962795	 0.3944543446	-0.0477061064	-0.007744
+C	-1.9229056053	 1.1230687032	-1.1213080613	-0.241885
+H	-2.9121896219	-2.691620368	-0.9537205466	 0.283307
+H	-2.709497186	-1.4627143702	 1.0200060152	 0.072061
+H	-0.4712102679	-2.0927556678	 0.4787694025	 0.121414
+H	-0.6961976732	-1.5635332269	-1.1831283839	 0.139655
+H	-0.154235709	 2.1306521544	-0.0225603113	 0.082518
+H	-1.7757872651	 0.7107096366	 1.9832741272	 0.103857
+H	-2.4114709664	 2.1770073657	 1.1958643506	 0.112266
+H	-3.8611076064	 0.5004512388	-0.080538485	 0.077672
+H	-1.6823997145	 0.5864254848	-2.0417621778	 0.110913
+H	-2.3430766568	 2.0992766728	-1.3741055176	 0.107821
+19
+0 3551	2.0508087	1.9242811	1.2114849	1.819	74.29	-0.2402	-0.02351	0.21669	1071.3251	0.157493	-422.5743	-422.566155	-422.565211	-422.607159	30.776
+C	-3.0310682702	-1.166969742	 1.2420690008	-0.405786
+C	-2.4092727082	-0.8782911324	-0.1295730367	-0.018673
+C	-0.9381492293	-1.3355373406	-0.2069409699	-0.336634
+C	-0.1213987762	-0.1403487307	 0.2991316954	 0.403799
+O	 0.962415512	-0.1844324222	 0.821164694	-0.320127
+C	-0.9277479603	 1.1298936495	 0.0325272056	-0.184543
+C	-0.8273783321	 1.6069230795	-1.4375979111	-0.088657
+O	-2.0626085834	 0.9486090155	-1.7787116174	-0.298848
+C	-2.3307602501	 0.6351692709	-0.389670988	 0.125917
+H	-3.0523242992	-2.2424200587	 1.441658282	 0.124552
+H	-2.4588301877	-0.6958364029	 2.0507030179	 0.122665
+H	-4.0577758817	-0.7914434255	 1.2987863114	 0.120875
+H	-3.0163699297	-1.3417122958	-0.9136125171	 0.090385
+H	-0.7073409808	-2.2377420745	 0.3631772634	 0.123791
+H	-0.6433119538	-1.5178177259	-1.2479093164	 0.138098
+H	-0.7975949114	 1.8808142336	 0.8099392455	 0.100521
+H	-0.897645162	 2.6960414061	-1.5491212853	 0.111502
+H	 0.0213111569	 1.2402216564	-2.026517049	 0.115948
+H	-3.2038200627	 1.1831814697	-0.017384465	 0.075213
+19
+0 3552	2.0886918	1.8993759	1.2101492	3.9108	74.25	-0.23129	-0.03054	0.20074999999999998	1071.3423	0.157614	-422.567413	-422.559267	-422.558323	-422.600281	30.737
+C	-2.9430971841	-1.2531255014	-1.3232430155	-0.403272
+C	-2.434746215	-0.8073138841	 0.0534948126	-0.009826
+C	-0.9699315869	-1.2494704683	 0.2818630239	-0.339244
+C	-0.1363658521	-0.1199445275	-0.3253505607	 0.40859
+O	 0.9277534424	-0.21444643	-0.8775413241	-0.309686
+C	-0.9352836716	 1.1753915422	-0.1221684106	 0.024646
+O	-0.767255518	 1.6278387831	 1.2462502136	-0.2947
+C	-2.146432157	 1.3242918331	 1.5619095674	-0.094809
+C	-2.3940614178	 0.7379344675	 0.1581191326	-0.069473
+H	-2.9420641001	-2.3441694665	-1.4088625233	 0.121746
+H	-3.9638102349	-0.8994204841	-1.5005505816	 0.117975
+H	-2.309563753	-0.8597866148	-2.1275820489	 0.125173
+H	-3.094597528	-1.2178157046	 0.8258107124	 0.078883
+H	-0.7341146503	-1.2982480673	 1.3521904877	 0.136204
+H	-0.7152127978	-2.2150069121	-0.1589738836	 0.123638
+H	-0.7016931931	 1.951862564	-0.8549543844	 0.090389
+H	-2.2345340861	 0.6223909438	 2.4010448963	 0.103615
+H	-2.7102710481	 2.2344599805	 1.7984523685	 0.108046
+H	-3.1880677585	 1.2175119666	-0.4152533224	 0.082104
+19
+0 3553	2.217358	1.8430833	1.1862475	4.39	74.63	-0.25773	0.01279	0.27052000000000004	1083.3631	0.15833	-422.599446	-422.591445	-422.5905	-422.632167	30.419
+C	-2.0276168862	-1.0715788644	-2.2586898566	-0.401986
+C	-2.1480884915	-0.768384928	-0.7710485812	 0.10554
+O	-0.950942477	-1.2231528187	-0.0952278892	-0.232518
+C	-0.1470937806	-0.1933601794	 0.2933975245	 0.428437
+O	 0.9219237192	-0.3769466548	 0.8007225282	-0.34762
+C	-0.8312381174	 1.1371510038	 0.0112538115	-0.172897
+C	-1.4217107603	 1.7960376565	 1.2895556483	-0.224106
+C	-2.7842362119	 1.1131824019	 0.9751666441	-0.249572
+C	-2.2534461444	 0.7252391758	-0.4387436914	-0.021895
+H	-1.7996185495	-2.128671725	-2.4172249943	 0.136016
+H	-2.9668967454	-0.8369117908	-2.7696912515	 0.120558
+H	-1.2291985666	-0.4765487692	-2.7146778261	 0.124316
+H	-2.9770171115	-1.3372936563	-0.3360159292	 0.095157
+H	-0.1965371859	 1.7551999274	-0.6256290987	 0.103036
+H	-0.9318234736	 1.5438008046	 2.2321101754	 0.124384
+H	-1.4658303057	 2.8834046155	 1.198141472	 0.111165
+H	-2.9831491425	 0.2396706148	 1.602765325	 0.114804
+H	-3.6646245101	 1.7580927875	 0.9959075508	 0.107153
+H	-2.6952161891	 1.3003438387	-1.2534429716	 0.080028
+19
+0 3554	2.0644975	1.8886802	1.2067942	2.8545	74.4	-0.23337	-0.01569	0.21767999999999998	1068.6725	0.157762	-422.580226	-422.572085	-422.571141	-422.613183	31.202
+O	-2.6885958043	-0.943296666	-1.4921606387	-0.443633
+C	-2.4118633239	-0.7969651393	-0.1031235681	 0.106442
+C	-1.0049497128	-1.3122382808	 0.2325662824	-0.364883
+C	-0.0700727194	-0.1585470216	-0.1607423835	 0.413204
+O	 1.084270034	-0.2671166162	-0.4840957078	-0.322509
+C	-0.8583677454	 1.1437553849	-0.0619000363	-0.117494
+C	-0.845197221	 1.7638378518	 1.3751679634	-0.230662
+C	-2.2637644165	 1.1807059346	 1.6332796023	-0.251987
+C	-2.3414865446	 0.716489447	 0.1499305695	 0.001882
+H	-2.5743473399	-1.8694689062	-1.7283025601	 0.284104
+H	-3.193785601	-1.2750561525	 0.5052741983	 0.066648
+H	-0.8957534044	-1.4874877917	 1.3113079625	 0.12725
+H	-0.733304417	-2.242284982	-0.2734408822	 0.116163
+H	-0.593860496	 1.817344773	-0.8770090513	 0.095495
+H	-0.0426538615	 1.4269745451	 2.0363538658	 0.111267
+H	-0.8259102393	 2.855129448	 1.3488453148	 0.115192
+H	-2.2876454562	 0.359915143	 2.3564411119	 0.099957
+H	-3.0207713069	 1.9083153703	 1.9324731078	 0.107832
+H	-3.0900907839	 1.2318932385	-0.4520729206	 0.085732
+19
+0 3555	2.0653619	1.579223	1.0525292	3.8702	79.97	-0.2381	-0.05119	0.18691000000000002	1187.9888	0.15671	-422.605247	-422.596343	-422.595398	-422.638755	33.426
+C	 1.0942723	 0.831549104	 0.0953426599	-0.478663
+C	-0.2200178452	 0.1073051115	 0.0922138229	 0.309438
+C	-0.2978550664	-1.2363689225	 0.085847533	-0.254428
+C	-1.5719775957	-1.9798662381	 0.1185755987	 0.363835
+O	-1.6034631649	-3.1948520974	 0.0867880336	-0.333488
+C	-2.843492786	-1.1423993599	 0.2258686546	-0.329361
+C	-2.7001025434	 0.2317747674	-0.4382944078	 0.094881
+O	-2.6589181415	 0.1305894888	-1.8560860343	-0.436242
+C	-1.4643681646	 0.965124793	 0.1064056259	-0.313062
+H	 1.1592442958	 1.5086594418	 0.9566010938	 0.137554
+H	 1.9416510197	 0.1432582507	 0.13129133	 0.133932
+H	 1.1913573373	 1.4611958675	-0.7980136778	 0.139256
+H	 0.5975632533	-1.8515656059	 0.0666743151	 0.098943
+H	-3.6737477276	-1.7054275603	-0.2063370583	 0.130437
+H	-3.0558387503	-1.0101263251	 1.2962800773	 0.121757
+H	-3.5917902682	 0.8326048683	-0.2339590395	 0.092816
+H	-1.8917771535	-0.401438508	-2.0966200236	 0.28411
+H	-1.3002913725	 1.8720185832	-0.4862946292	 0.118175
+H	-1.6516553364	 1.3025723809	 1.1367330655	 0.12011
+19
+0 3556	1.9516653	1.6591932	0.9292564	5.2579	80.07	-0.25587	-0.03764	0.21822999999999998	1268.6644	0.156499	-422.616909	-422.607966	-422.607022	-422.650411	33.129
+C	-3.7107141327	 1.0969256769	 0.6037625465	-0.40002
+C	-2.474453357	 0.3847714891	 0.0804598943	 0.128941
+C	-1.1600329365	 1.0274065057	 0.5163993072	-0.312187
+C	 0.0075853715	 0.1452546051	 0.1523228298	 0.300306
+C	 1.3496556917	 0.7875955321	-0.0259875857	-0.481698
+C	-0.2009497348	-1.1720538105	 0.0330280811	-0.289265
+C	-1.4976455714	-1.8068527097	 0.3441765403	 0.416319
+O	-1.638949009	-2.9950580142	 0.4837098419	-0.342887
+O	-2.5626554734	-0.9796370916	 0.5368090359	-0.253031
+H	-3.7102585564	 1.113166176	 1.6977970445	 0.12937
+H	-3.7393740861	 2.1279544124	 0.2382623764	 0.11778
+H	-4.6147947354	 0.5829722798	 0.2684981746	 0.136424
+H	-2.4983057075	 0.365216746	-1.0189406984	 0.089104
+H	-1.0638442193	 2.0097393781	 0.0391375049	 0.113936
+H	-1.1643735718	 1.2091084216	 1.6011954198	 0.125726
+H	 1.6367579706	 1.3390983411	 0.878431827	 0.138059
+H	 2.1273127396	 0.0519219075	-0.2432679049	 0.135436
+H	 1.3251320441	 1.5217177143	-0.8411006798	 0.135511
+H	 0.5964900638	-1.8669278897	-0.2048496357	 0.112176
+19
+0 3557	2.692455	1.3281793	0.9306505	4.2837	79.07	-0.24031	-0.05124	0.18907	1242.8614	0.156664	-422.600528	-422.591624	-422.59068	-422.633962	33.507
+C	-3.4984288808	-0.3782321611	 2.3676734912	-0.430043
+C	-2.684691258	-0.1524924272	 1.0851359144	-0.03207
+C	-1.7622823276	-1.312027249	 0.8036023863	-0.044683
+C	-0.5705337561	-1.1971753934	 0.2045300853	-0.16493
+C	-0.053193562	 0.102573686	-0.2762857466	 0.367659
+O	 1.0390713214	 0.2074187556	-0.7960960976	-0.331559
+C	-0.9912805376	 1.2919106302	-0.1090200837	-0.324611
+C	-1.8873375249	 1.1670295937	 1.1206805168	 0.091082
+O	-2.7348199447	 2.3063679038	 1.136884261	-0.433876
+H	-4.0735753021	-1.3075540265	 2.3110490813	 0.124537
+H	-2.8447828734	-0.4426180331	 3.245094362	 0.123581
+H	-4.212193004	 0.4354469657	 2.5283003449	 0.115031
+H	-3.3938287277	-0.0673123434	 0.2466737406	 0.104812
+H	-2.1079978182	-2.294252296	 1.1217779053	 0.105756
+H	 0.0700657252	-2.0559398852	 0.0301598771	 0.108698
+H	-0.4021796986	 2.2107966702	-0.0779357365	 0.129174
+H	-1.6315134987	 1.3471258082	-1.0010370035	 0.130747
+H	-1.2502044322	 1.1525381763	 2.0211015371	 0.075085
+H	-3.1265854599	 2.3837184355	 2.0117609046	 0.285612
+19
+0 3558	2.3322575	1.4469676	1.1850426	3.9747	77.62	-0.23819	-0.05482	0.18337	1126.2049	0.156988	-422.596732	-422.587898	-422.586954	-422.630051	33.286
+C	-1.6442895782	-1.2701093965	-2.3681797712	-0.406647
+C	-2.1023380276	-1.2276571011	-0.9032364737	-0.03405
+C	-0.9229765017	-1.3278338261	 0.0790557785	-0.321044
+C	-0.0492108256	-0.0817069691	 0.0705699573	 0.376513
+O	 1.1514199542	-0.1202620318	 0.2473187044	-0.329713
+C	-0.764567171	 1.2043195925	-0.1153710918	-0.134342
+C	-2.0673157771	 1.2618967532	-0.4079187601	-0.039796
+C	-2.9299526287	 0.036423084	-0.5927765738	 0.069962
+O	-3.6788273881	-0.0967473115	 0.6186968692	-0.440622
+H	-1.0975085031	-2.1953402743	-2.5736328216	 0.123348
+H	-2.499542064	-1.2283397952	-3.0509470094	 0.113467
+H	-0.9825696098	-0.4329206267	-2.6117588823	 0.130889
+H	-2.7650189008	-2.0874905944	-0.7347394967	 0.066248
+H	-1.3196467996	-1.4237408909	 1.098159368	 0.135095
+H	-0.2923924467	-2.1989609446	-0.1151411879	 0.114834
+H	-0.160984229	 2.0991309634	 0.003548387	 0.109831
+H	-2.5691056491	 2.2219050531	-0.4981737797	 0.112472
+H	-3.6174704904	 0.2232345296	-1.4332037258	 0.069589
+H	-4.3653189436	-0.7553577937	 0.4673621395	 0.283966
+19
+0 3559	2.7199289	1.4075734	0.9658141	4.9398	78.6	-0.25991	-0.04423	0.21567999999999998	1219.8721	0.156781	-422.610978	-422.602172	-422.601228	-422.644353	32.922
+C	-2.7178494949	-2.5104949862	 0.0691390401	-0.406687
+C	-2.1667362082	-1.1370699068	-0.2812825547	 0.132004
+O	-0.7798962067	-1.1615459933	 0.1256473933	-0.256864
+C	-0.0398395613	-0.0238710873	 0.0558955391	 0.411959
+O	 1.1597622316	-0.0854103147	 0.1405352811	-0.339781
+C	-0.7891987657	 1.2478098962	-0.0464528302	-0.217259
+C	-2.1079435827	 1.2933581999	 0.1468815504	-0.048793
+C	-2.9196626526	 0.0408667744	 0.3541918617	-0.056648
+C	-4.3397257691	 0.1947944637	-0.2118907189	-0.410151
+H	-2.7350366818	-2.653927161	 1.1538875208	 0.128486
+H	-3.7316541904	-2.6367397228	-0.3188479935	 0.122406
+H	-2.0830374843	-3.2850886953	-0.3676492742	 0.138207
+H	-2.1856443481	-0.9990126918	-1.3728930011	 0.088145
+H	-0.1796366436	 2.1318205838	-0.1900392813	 0.122198
+H	-2.6320085091	 2.2465357929	 0.1654642551	 0.109557
+H	-2.9979011736	-0.1427652902	 1.4373975973	 0.104165
+H	-4.8281359217	 1.0748648229	 0.2175651998	 0.124159
+H	-4.3181402087	 0.3227433572	-1.2996991627	 0.127077
+H	-4.961686509	-0.6739165315	 0.016904468	 0.12782
+19
+0 3560	1.8811814	1.6424967	0.9502048	3.717	77.03	-0.24455	-0.03471	0.20984	1241.3777	0.156497	-422.617473	-422.60872	-422.607776	-422.651141	32.631
+C	-2.7770704938	 2.5423587219	 1.0992042013	-0.400021
+C	-1.8920828803	 1.2932922103	 1.1396017231	 0.001761
+C	-2.7411482889	 0.0057137828	 1.1933712715	-0.295348
+C	-1.8735156044	-1.2430599704	 1.218485864	 0.367492
+O	-1.995136286	-2.1165261378	 2.041520756	-0.292858
+C	-0.8088744117	-1.3078130699	 0.1228058614	-0.387638
+C	-0.0489194441	 0.0089749724	-0.0406150836	 0.367484
+O	 1.1534634271	 0.0440377781	-0.1309883731	-0.292854
+C	-0.9233334325	 1.2530957083	-0.0610638888	-0.295349
+H	-3.4401768489	 2.5833966089	 1.9689576585	 0.122748
+H	-2.1714619499	 3.4539889432	 1.0934321702	 0.122748
+H	-3.4029093724	 2.5492606266	 0.199171329	 0.117744
+H	-1.2866411541	 1.33253133	 2.0559698094	 0.099789
+H	-3.3922437468	-0.0100224083	 2.0705050851	 0.125247
+H	-3.3802258273	-0.0348100878	 0.2984173184	 0.114141
+H	-0.1181415958	-2.1310979564	 0.3051128011	 0.144543
+H	-1.3369434152	-1.4914552945	-0.8250494121	 0.14099
+H	-0.2728042664	 2.1305367947	-0.0821350431	 0.125246
+H	-1.5117730988	 1.2473227079	-0.9909585984	 0.114134
+19
+0 3561	2.0551855	1.5585584	1.0207937	3.2361	78.42	-0.23974	-0.01815	0.22159	1209.0414	0.156224	-422.598588	-422.589497	-422.588552	-422.632538	33.751
+C	 1.2076486553	 0.4329454021	-1.3977109177	-0.469799
+C	-0.0177126071	-0.0704912327	-0.6853478363	 0.297023
+C	-0.1333468821	-1.3310206312	-0.2552840136	-0.188791
+C	-1.3481644151	-1.8936611026	 0.4365847965	 0.078958
+O	-2.0691707183	-2.7779457585	-0.4223465209	-0.428626
+C	-2.2543688298	-0.7798830179	 1.0055652653	-0.318911
+C	-2.4299702845	 0.3418828006	 0.0040120613	 0.361751
+O	-3.5060073931	 0.7235239725	-0.3925480212	-0.306417
+C	-1.122558636	 0.9473629912	-0.48970247	-0.387308
+H	 1.6516006696	 1.2816382924	-0.8615845059	 0.128137
+H	 1.9678158049	-0.3459197539	-1.495250243	 0.127575
+H	 0.9573146956	 0.7979148194	-2.4017789353	 0.13083
+H	 0.6728796184	-2.0362339593	-0.4424278136	 0.090949
+H	-1.0334991179	-2.5363230367	 1.2662378404	 0.094873
+H	-2.2394808114	-2.3109260412	-1.2481576023	 0.281639
+H	-3.2271664873	-1.187978511	 1.2852439278	 0.127594
+H	-1.7693672766	-0.3634550674	 1.8988611651	 0.116656
+H	-1.3257595961	 1.4970489061	-1.4152705185	 0.130112
+H	-0.7982883086	 1.703907378	 0.2431300119	 0.133756
+19
+0 3562	1.97172	1.6349918	0.9582156	4.3865	79.4	-0.2537	0.00917	0.26287	1253.3425	0.155935	-422.609897	-422.600655	-422.599711	-422.645205	33.377
+C	-3.434563889	 1.4702372596	 0.2171041609	-0.383648
+C	-2.4109227274	 0.5833293958	-0.4979598546	 0.08408
+O	-2.6655519375	-0.7792537598	-0.1005211606	-0.239737
+C	-1.7839362262	-1.5767902918	 0.537786307	 0.410314
+O	-2.1174244737	-2.6908519565	 0.8396935737	-0.329211
+C	-0.3965569149	-1.0422667832	 0.8537465522	-0.448524
+C	-0.0668461474	 0.3261047735	 0.3294641829	 0.282594
+C	 1.3396263176	 0.8083560301	 0.5422827335	-0.473143
+C	-1.0034495774	 1.0424034818	-0.28438088	-0.163587
+H	-3.2477415457	 1.4767306731	 1.2948433718	 0.126304
+H	-3.3692036317	 2.4981614103	-0.1525234936	 0.119733
+H	-4.4456326049	 1.096975773	 0.0361430494	 0.135559
+H	-2.6331239282	 0.6022592317	-1.5743862718	 0.106101
+H	-0.2882949394	-1.0774294055	 1.9466104696	 0.147081
+H	 0.3160992981	-1.7896969946	 0.482050349	 0.145804
+H	 1.5925609114	 0.8259308034	 1.6100840979	 0.129768
+H	 2.0623490846	 0.1359214241	 0.0628111004	 0.130706
+H	 1.4873009799	 1.8135140647	 0.1395004205	 0.125984
+H	-0.782425678	 2.0358698204	-0.6664448383	 0.093821
+19
+0 3563	2.693331	1.418491	1.0406815	3.1129	74.99	-0.24045	-0.01922	0.22122999999999998	1165.9649	0.155839	-422.573971	-422.565356	-422.564411	-422.607367	32.538
+C	-2.4996022492	-1.4816822453	-2.0649631388	-0.410648
+C	-2.0340004161	-0.7699592063	-0.7979578271	-0.072402
+C	-0.6347805398	-1.1885552008	-0.3015465529	-0.326433
+C	-0.1221994841	-0.0076024009	 0.5273813749	 0.39519
+O	 0.8003700536	-0.028476864	 1.2985440177	-0.308392
+C	-0.9986354185	 1.213642307	 0.2135176855	-0.401255
+C	-1.8993778435	 0.7548821594	-0.9183307685	 0.412018
+C	-2.8458261526	 1.6271985211	-1.6131554303	-0.258914
+O	-1.5948598425	 1.2782891677	-2.2198747728	-0.265969
+H	-2.492084474	-2.5661517995	-1.9204687961	 0.117066
+H	-3.5197149088	-1.1938767433	-2.3379123452	 0.115909
+H	-1.8450228933	-1.2372789063	-2.9054654032	 0.138562
+H	-2.7530106388	-0.9635129226	 0.0109872503	 0.086532
+H	-0.6058255391	-2.117846424	 0.2716377063	 0.127446
+H	 0.0491635372	-1.3094688039	-1.1534943691	 0.138878
+H	-1.574016522	 1.4604313939	 1.1147854458	 0.136294
+H	-0.3968785346	 2.0873494657	-0.0468539328	 0.145576
+H	-3.7288090769	 1.2074124741	-2.0928115708	 0.114727
+H	-2.940841967	 2.6688572179	-1.3079692827	 0.115813
+19
+0 3564	2.4647403	1.5372307	1.1609558	4.2335	75.42	-0.26067	0.01514	0.27581	1117.7268	0.156875	-422.594664	-422.58629	-422.585346	-422.627553	32.072
+C	-3.240451646	-0.650602038	-0.6498439523	-0.395643
+C	-2.2216290447	-0.7272248199	 0.4942029893	-0.089452
+C	-0.8568972244	-1.2537680524	 0.0181360901	-0.368968
+C	-0.0847253987	 0.0101626502	-0.3472812127	 0.416838
+O	 0.9004840637	 0.1224528312	-1.0151082327	-0.33522
+O	-0.7020389408	 1.0822739536	 0.2289313872	-0.254859
+C	-1.8145343738	 0.6510618154	 1.0108066854	 0.458815
+C	-2.7376480171	 1.7222616841	 1.479728707	-0.33545
+C	-1.7935449975	 1.0422900275	 2.4595419166	-0.335125
+H	-4.1834059532	-0.2108336086	-0.3125994687	 0.120564
+H	-2.8620138728	-0.0368913533	-1.4742819077	 0.133672
+H	-3.4545508678	-1.6491263568	-1.0434697221	 0.119287
+H	-2.6283961935	-1.3326191852	 1.3086266297	 0.085194
+H	-0.3081625343	-1.7580069697	 0.821477159	 0.138703
+H	-0.8997420237	-1.9340640402	-0.8339141268	 0.134773
+H	-2.5038265988	 2.7386532241	 1.1847716612	 0.136028
+H	-3.7972657209	 1.4979373486	 1.5394166175	 0.120861
+H	-0.9390209619	 1.614047519	 2.8028484755	 0.132123
+H	-2.2098054839	 0.3537350103	 3.1874330043	 0.117859
+19
+0 3565	2.5889532	1.463692	1.1131328	4.4206	75.12	-0.25996	0.01751	0.27747000000000005	1138.1884	0.15704	-422.596268	-422.587869	-422.586925	-422.629282	31.998
+C	-2.905035467	-1.5940301464	-0.5787521794	-0.391869
+C	-1.8758728556	-0.7672997545	-1.3421559675	 0.040999
+O	-0.550938024	-1.1058817806	-0.8684762869	-0.227671
+C	-0.0350001471	-0.131466017	-0.0695401735	 0.434047
+O	 1.0332255827	-0.2353159657	 0.457954696	-0.33696
+C	-1.02748254	 1.0252613806	 0.0146097604	-0.460029
+C	-1.9737012747	 0.7459133957	-1.1347772899	 0.3533
+C	-3.2325981012	 1.5193856365	-1.3951926566	-0.328036
+C	-2.0464497452	 1.6769741424	-2.3178929132	-0.315844
+H	-2.9137610746	-1.3297548112	 0.4833140197	 0.123598
+H	-3.9075543953	-1.4248237473	-0.9824458836	 0.121564
+H	-2.6717254429	-2.6583631746	-0.6661695625	 0.135292
+H	-1.8989749392	-1.0297577741	-2.4044696748	 0.097054
+H	-1.5198840076	 0.9814202851	 0.9940153706	 0.137693
+H	-0.501152052	 1.9793371606	-0.0454464448	 0.139392
+H	-4.0994764667	 0.9845129039	-1.7696180814	 0.117731
+H	-3.4756518298	 2.3367603435	-0.7243750069	 0.120436
+H	-2.1129201836	 1.2403438156	-3.3093121951	 0.119079
+H	-1.4803883763	 2.6016381375	-2.2745831905	 0.120222
+19
+0 3566	2.5408585	1.4122307	1.1082631	2.1178	74.99	-0.24083	-0.02259	0.21824	1143.1693	0.156064	-422.57747	-422.568705	-422.567761	-422.611222	33.084
+O	-3.0988163075	-1.4154398704	-0.0404194756	-0.430136
+C	-2.1954042976	-0.8383642901	 0.8964234156	 0.031561
+C	-0.7330914587	-1.2222807331	 0.617518799	-0.342057
+C	-0.1810736074	-0.1050894067	-0.2743621212	 0.391938
+O	 0.821634514	-0.1548216095	-0.9367848165	-0.307922
+C	-1.1366589893	 1.097434937	-0.1861659867	-0.427255
+C	-2.1755858552	 0.694604708	 0.8512236683	 0.34978
+C	-2.3288148883	 1.4722071847	 2.1378355524	-0.317041
+C	-3.4308853469	 1.4754402761	 1.1072449863	-0.319739
+H	-2.9010721583	-1.0692010545	-0.9173384399	 0.28088
+H	-2.541052315	-1.2042853636	 1.8664844446	 0.088357
+H	-0.1494538735	-1.2097061507	 1.5475158863	 0.135385
+H	-0.6164318945	-2.2089451693	 0.1647466925	 0.133512
+H	-0.5808674454	 2.0073360141	 0.0571289301	 0.134837
+H	-1.570165227	 1.257483546	-1.1831916767	 0.128652
+H	-2.4891661991	 0.919082603	 3.0578149257	 0.115765
+H	-1.737294899	 2.3741776479	 2.258222061	 0.113791
+H	-4.3344420807	 0.9129379756	 1.316754005	 0.125947
+H	-3.5927801506	 2.3838292954	 0.5361699898	 0.113746
+19
+0 3567	2.6780628	1.1597532	0.8510919	1.7054	76.94	-0.24571	-0.03096	0.21475	1326.393	0.155278	-422.60675	-422.597585	-422.59664	-422.641411	33.146
+C	-2.4868209449	-1.4585577131	-2.1099392065	-0.410693
+C	-2.0225659693	-0.7068526105	-0.8646112102	 0.00326
+C	-0.6808010846	-1.1767179804	-0.2816555079	-0.335361
+C	-0.1158744808	 0.0257796843	 0.4772818346	 0.398544
+O	 0.8123762409	 0.0154355382	 1.2406286656	-0.303408
+C	-0.9395968609	 1.2631767176	 0.0931126924	-0.35925
+C	-1.8023591551	 0.8224599186	-1.1012343893	-0.073255
+C	-3.1176633581	 1.5579670628	-1.179289456	 0.156597
+O	-3.5688727188	 2.0850203204	-2.1620719017	-0.249922
+H	-2.6572635119	-2.517000109	-1.8900145041	 0.121945
+H	-3.4193123601	-1.0414634572	-2.502925185	 0.133664
+H	-1.734494006	-1.3977563762	-2.9043088346	 0.122536
+H	-2.7890178152	-0.8098901221	-0.0821535673	 0.084059
+H	-0.7416189498	-2.0575754524	 0.3619094205	 0.133106
+H	 0.0262918631	-1.415635627	-1.0887159369	 0.133764
+H	-1.5689258669	 1.518252281	 0.9582915692	 0.134398
+H	-0.2969531445	 2.1252095706	-0.0977672161	 0.142667
+H	-1.2722517448	 0.9724472807	-2.0476286438	 0.096814
+H	-3.6804592124	 1.5638127738	-0.2130113328	 0.070538
+19
+0 3568	2.2121886	1.7824685	1.2442989	3.6748	74.53	-0.24186	-0.01485	0.22701	1062.9327	0.157391	-422.575747	-422.567468	-422.566524	-422.608894	31.333
+C	-1.0264408067	-1.9218232198	 2.508929393	-0.38456
+C	-1.7177090486	-1.3345339945	 1.2688532443	-0.026165
+C	-0.7602732004	-1.2604829742	 0.0512249273	-0.315432
+C	 0.0555966183	 0.0208429135	-0.0118985244	 0.392157
+O	 1.2606906529	 0.0374872164	-0.0712820484	-0.307092
+C	-0.7819058603	 1.29677301	-0.0577240487	-0.333412
+C	-1.8974790891	 1.2766477067	 0.9618949227	 0.046739
+O	-1.4894833155	 0.9504283675	 2.2925986776	-0.24907
+C	-2.3331264268	 0.0200570077	 1.5985454196	 0.034623
+H	-0.6516045932	-2.9282368677	 2.3001276499	 0.115566
+H	-0.1859000617	-1.2934014042	 2.8142991592	 0.146558
+H	-1.7211813664	-1.9855114082	 3.3525194851	 0.117339
+H	-2.5457248795	-1.9986838953	 0.9937001647	 0.082421
+H	-0.0765475866	-2.1121946958	 0.0345656608	 0.120621
+H	-1.360861315	-1.2914031784	-0.868367139	 0.113326
+H	-0.1258351269	 2.1577977212	 0.0978390548	 0.134673
+H	-1.2132765908	 1.3850106552	-1.0650790786	 0.122497
+H	-2.6081158626	 2.1021184198	 0.9021640012	 0.09477
+H	-3.3466387211	-0.0187542101	 2.0003715189	 0.094441
+19
+0 3569	2.4964313	1.5781163	1.0831483	4.4301	75.1	-0.25665	0.01304	0.26969	1133.4683	0.157931	-422.586962	-422.578848	-422.577904	-422.619541	31.312
+C	-3.0148804548	-2.3075136009	 0.9588380023	-0.394158
+C	-1.877587819	-1.3033622828	 1.1787164734	-0.002948
+C	-1.0313181088	-1.1290643574	-0.0938445709	-0.367401
+C	-0.0007631299	-0.0138625324	-0.0386442711	 0.405615
+O	 1.0734669834	-0.075220852	-0.5705161066	-0.323052
+O	-0.3434974561	 1.1263087171	 0.6173503133	-0.22541
+C	-1.5450284028	 1.2459518561	 1.3528254024	 0.116169
+C	-2.8893011992	 1.0942125452	 0.6977780454	-0.326736
+C	-2.3762605911	 0.0432369655	 1.6707722354	-0.058067
+H	-3.5803368774	-2.4695251228	 1.8820097833	 0.117116
+H	-3.7134022804	-1.9438977868	 0.197310707	 0.119335
+H	-2.6265002165	-3.2761691043	 0.6277126016	 0.118884
+H	-1.217071566	-1.7025483462	 1.9610899328	 0.090792
+H	-0.4900858414	-2.0447615763	-0.3394480374	 0.1369
+H	-1.685608226	-0.9192799821	-0.9503742618	 0.133702
+H	-1.4108499054	 2.0237484751	 2.0947843007	 0.116373
+H	-3.6879288365	 1.752930772	 1.0199308759	 0.122298
+H	-2.9108791219	 0.8569451193	-0.3597614702	 0.125022
+H	-2.8421789102	 0.0244253636	 2.6519929743	 0.095566
+19
+0 3570	2.346971	1.7131023	1.157092	4.3844	75.27	-0.25909	0.01639	0.27548	1097.2505	0.157874	-422.594604	-422.586447	-422.585503	-422.627275	31.303
+C	-2.1675487224	-2.6531780724	-1.3303695687	-0.389449
+C	-1.5493808261	-1.2620402111	-1.3190369462	 0.107662
+O	-0.7065650278	-1.214097407	-0.1458000329	-0.23778
+C	-0.1973079902	-0.0488408932	 0.3297423558	 0.396925
+O	 0.5997634121	-0.0834760948	 1.2266914588	-0.325151
+C	-0.6901258532	 1.2423860889	-0.3060502521	-0.356888
+C	-2.1223428404	 1.1820289943	-0.7978620487	-0.048224
+C	-3.1522025659	 0.3745737175	-0.0408791258	-0.303901
+C	-2.5738023293	-0.1450075002	-1.3339155876	-0.025911
+H	-2.8254959664	-2.784009344	-0.4667978619	 0.132103
+H	-2.7552497805	-2.7966853418	-2.2420365603	 0.117499
+H	-1.3872266777	-3.4173553244	-1.2937465293	 0.132659
+H	-0.8959105897	-1.1509649031	-2.1971652378	 0.089761
+H	-0.5321051773	 2.0313958625	 0.4333923403	 0.138974
+H	-0.0216407705	 1.4643302751	-1.149878579	 0.1332
+H	-2.4706034641	 2.0802408517	-1.2977675233	 0.093287
+H	-2.8561475899	-0.1042974465	 0.8864103457	 0.136111
+H	-4.1777225875	 0.7250741233	-0.0528919956	 0.116345
+H	-3.2174696532	-0.1594403946	-2.2081567014	 0.092778
+19
+0 3571	2.1980707	1.7141349	1.1957966	3.1407	74.24	-0.23958	-0.02018	0.21939999999999998	1079.4156	0.157687	-422.578539	-422.570187	-422.569243	-422.612152	31.94
+O	-0.8399726605	-1.8488075255	 2.2953400629	-0.430027
+C	-1.7828902937	-1.427752102	 1.3138415343	 0.09781
+C	-1.1326588902	-1.3557395836	-0.0825640825	-0.332671
+C	-0.1698619459	-0.1854375776	-0.2027469359	 0.368063
+O	 0.9600812698	-0.3180743462	-0.6115986578	-0.304826
+C	-0.6949193325	 1.1872858309	 0.222477932	-0.327915
+C	-1.8799057963	 1.1875536501	 1.1824380686	-0.035408
+C	-3.2398024231	 0.7013571076	 0.7470430003	-0.308324
+C	-2.4311770895	-0.1187107122	 1.7210694512	-0.046169
+H	-0.1899773744	-1.1468064993	 2.4126008781	 0.283153
+H	-2.5338431711	-2.2257163378	 1.3078858401	 0.096069
+H	-0.5912788906	-2.2803690759	-0.2906273509	 0.130481
+H	-1.9128238359	-1.2378593522	-0.8457965975	 0.120777
+H	 0.1566408378	 1.7210710943	 0.6553887452	 0.131923
+H	-0.9458201721	 1.7312625346	-0.6996165359	 0.135309
+H	-1.8845786093	 2.0291691398	 1.8679507102	 0.095123
+H	-4.1137936696	 1.2194924106	 1.1255857924	 0.116755
+H	-3.354366731	 0.3401196262	-0.2699907152	 0.112942
+H	-2.7716527321	-0.1247870219	 2.7520401704	 0.096936
+19
+0 3572	2.6424301	1.3876327	1.045247	2.9248	77.97	-0.24044	-0.01948	0.22096	1181.6174	0.156355	-422.597955	-422.588899	-422.587955	-422.631806	33.684
+C	 1.3260034311	 0.8485064012	 0.2266902353	-0.480588
+C	-0.0101726274	 0.1591063196	 0.1822442027	 0.284077
+C	-0.154046642	-1.1281712872	-0.1457298429	-0.159336
+C	-1.4727100598	-1.8523522845	-0.2530150249	-0.352353
+C	-2.6667147446	-0.91309213	-0.160780772	 0.36328
+O	-3.6644736188	-1.0615724981	-0.8265130741	-0.307362
+C	-2.4746024344	 0.2296692292	 0.8153357891	-0.31955
+C	-1.2086396213	 1.0431359713	 0.4761063716	 0.031842
+O	-1.4349832992	 1.9618728855	-0.5940938487	-0.428937
+H	 1.5562336696	 1.1980915183	 1.2413883282	 0.12498
+H	 2.1355031981	 0.1906485203	-0.0993249	 0.119478
+H	 1.314242244	 1.7359496111	-0.4156897721	 0.142411
+H	 0.7307496247	-1.7203135811	-0.3719025277	 0.091831
+H	-1.5481438597	-2.4179087624	-1.1877375635	 0.132429
+H	-1.5621789304	-2.5950430762	 0.5562431423	 0.134387
+H	-3.3535594715	 0.8770325346	 0.8118006743	 0.127057
+H	-2.3493339352	-0.198887836	 1.8188535454	 0.118554
+H	-0.9785077553	 1.6923817997	 1.3288109783	 0.092809
+H	-1.5872172778	 1.4492679946	-1.3965294412	 0.284989
+19
+0 3573	2.773248	1.3441665	1.0304429	4.5386	78.26	-0.24945	0.00763	0.25708000000000003	1202.7294	0.156149	-422.609267	-422.600129	-422.599185	-422.643672	33.325
+C	-1.2158986329	-2.1051014027	-0.841582918	-0.393699
+C	-0.9376717571	-1.1376810222	 0.3144162505	 0.051094
+O	-2.1918397469	-0.5632686665	 0.7384771068	-0.238541
+C	-2.6151050842	 0.6665811231	 0.3725697459	 0.409617
+O	-3.7169502299	 1.0265202335	 0.6871403529	-0.329361
+C	-1.6557155949	 1.5476979435	-0.4124404372	-0.409571
+C	-0.2215816361	 1.118108661	-0.3461309906	-0.168198
+C	 0.1283383562	-0.1206743666	-0.0111139229	 0.292243
+C	 1.5531615103	-0.5942336	 0.0636143039	-0.484072
+H	-2.001798532	-2.8088848748	-0.5561777349	 0.13723
+H	-1.5400622784	-1.5573871949	-1.731585594	 0.126231
+H	-0.3165953866	-2.6733106282	-1.0962392096	 0.123646
+H	-0.6169541752	-1.7210966512	 1.186398762	 0.102389
+H	-2.0159301372	 1.5697789201	-1.4515888388	 0.147092
+H	-1.796079314	 2.5671787272	-0.0404129702	 0.146876
+H	 0.5366487347	 1.8584730965	-0.5881000429	 0.094407
+H	 1.8018547169	-0.9453346032	 1.07297348	 0.131981
+H	 1.7394301392	-1.4350828429	-0.6155423438	 0.130854
+H	 2.2476554782	 0.2077244382	-0.198403559	 0.129783
+19
+0 3574	2.6945563	1.3240947	0.9391137	0.3982	75.2	-0.24813	-0.02431	0.22382	1234.6976	0.156057	-422.615267	-422.606338	-422.605394	-422.64952	32.928
+C	-0.5570647061	 2.2841548708	 1.0839349544	-0.398312
+C	-0.9127568514	 1.1746274896	 0.0938941334	-0.109215
+C	-2.4312538274	 0.9759037793	-0.0783483284	-0.320907
+C	-2.796581755	-0.0730446139	-1.1250342954	 0.394602
+O	-3.8512807224	-0.0588588043	-1.7118179774	-0.308929
+C	-1.7329317653	-1.1371942742	-1.3789504763	-0.323421
+C	-0.8670358952	-1.4089567826	-0.141584299	-0.322144
+C	-0.2310682772	-0.1516351134	 0.4493358237	 0.400467
+O	 0.7458491322	-0.209745752	 1.1574051656	-0.314007
+H	-0.9844280879	 2.075569722	 2.0702919496	 0.122916
+H	 0.5252731031	 2.3576875657	 1.203147072	 0.140953
+H	-0.944500702	 3.2479918498	 0.7415670963	 0.114078
+H	-0.5021525254	 1.4449520808	-0.8932606233	 0.110307
+H	-2.8692493947	 0.649095343	 0.876656434	 0.133147
+H	-2.9339412785	 1.9112746075	-0.3386747512	 0.134105
+H	-2.2241990064	-2.0403688367	-1.7484996837	 0.134044
+H	-1.1020086227	-0.7680810828	-2.2002950875	 0.135731
+H	-1.4840041161	-1.8507439192	 0.6537875655	 0.139219
+H	-0.0726411516	-2.1318367292	-0.3440224522	 0.137366
+19
+0 3575	2.2861335	1.5615498	1.0305912	4.3096	77.31	-0.25875	-0.00566	0.25309	1181.329	0.157857	-422.595668	-422.587164	-422.586219	-422.628989	31.901
+C	-2.7714054571	-2.6488994486	 0.5157515362	-0.400778
+C	-2.1810752326	-1.2307777428	 0.6276599613	-0.029477
+C	-0.8176428102	-1.162398101	-0.0925335484	-0.355088
+C	-0.0839721442	 0.1439022867	 0.1557679705	 0.410022
+O	 0.866351552	 0.2391161388	 0.8844226783	-0.323865
+O	-0.5504937493	 1.2582886032	-0.4591130821	-0.2142
+C	-1.6716030084	 1.2012506165	-1.3525588265	-0.1376
+C	-2.9781974758	 0.7897879557	-0.7188600128	-0.0956
+C	-3.1795247027	-0.2159798278	 0.1308685024	-0.022919
+H	-3.7215289123	-2.7208585261	 1.0542218152	 0.119861
+H	-2.9580374372	-2.9144739812	-0.5304663756	 0.1215
+H	-2.0865330865	-3.3897915578	 0.9391089504	 0.12262
+H	-2.0040264824	-1.0371121541	 1.6962909415	 0.108658
+H	-0.1649549378	-1.9505356186	 0.2864232886	 0.129412
+H	-0.962984364	-1.3353435996	-1.1648546021	 0.117517
+H	-1.7573003984	 2.2242982	-1.7249768171	 0.131147
+H	-1.4239548186	 0.5716918595	-2.217812652	 0.123238
+H	-3.8272883382	 1.4113822827	-0.9916638884	 0.101098
+H	-4.1865946063	-0.3500708856	 0.5230747404	 0.094455
+19
+0 3576	2.1932108	1.658643	1.042032	4.2132	77.58	-0.25689	-0.00258	0.25431	1173.5962	0.157659	-422.599319	-422.59084	-422.589896	-422.632452	32.016
+C	-1.6901478065	-2.8827361539	-1.5904742206	-0.405972
+C	-1.5460290482	-1.3996748266	-1.2675825839	 0.073968
+O	-0.7309691309	-1.3516935066	-0.0738834295	-0.227997
+C	-0.2466522321	-0.1877841306	 0.4215952131	 0.411651
+O	 0.4640243966	-0.219418051	 1.3901493199	-0.323854
+C	-0.6658464789	 1.1019923307	-0.2640118489	-0.347433
+C	-2.1449388341	 1.443256428	-0.0092274422	-0.255893
+C	-3.1418541647	 0.4580863358	-0.5518107933	-0.06068
+C	-2.8952136437	-0.7329801838	-1.094239936	-0.049983
+H	-2.2343663756	-3.394056631	-0.7912084645	 0.136678
+H	-2.2402699469	-3.0122280532	-2.5271176343	 0.120145
+H	-0.7066986355	-3.3464792951	-1.6925951031	 0.131868
+H	-0.986429828	-0.9213470473	-2.0826234289	 0.098797
+H	-0.0287986408	 1.8867493532	 0.1461387609	 0.130102
+H	-0.479347975	 1.0482025747	-1.3416711337	 0.122525
+H	-2.3092064457	 1.566560786	 1.0705108863	 0.134021
+H	-2.3548804194	 2.4285110811	-0.4458257568	 0.118493
+H	-4.1803645685	 0.7753804984	-0.476810887	 0.097811
+H	-3.7380468521	-1.3202558688	-1.4505982373	 0.095752
+19
+0 3577	2.2061052	1.7361588	1.238746	2.4109	76.37	-0.2404	-0.01399	0.22641	1065.7144	0.157768	-422.584975	-422.576403	-422.575459	-422.61819	32.426
+O	-1.0075015039	-1.4359960417	 2.3995848966	-0.428814
+C	-1.8104250859	-1.5897502078	 1.2275863827	 0.066466
+C	-0.9563443244	-1.3656532329	-0.0464336046	-0.338116
+C	-0.0675345268	-0.1335144457	 0.0897813571	 0.396655
+O	 1.1313712943	-0.2556912956	 0.2095853459	-0.312371
+C	-0.7285531325	 1.235887188	 0.1058605602	-0.28511
+C	-1.6016471737	 1.4820279479	 1.3652835085	-0.258519
+C	-2.8847820379	 0.6877008325	 1.3967639193	-0.04924
+C	-2.9818790937	-0.6397154675	 1.3284276493	-0.048044
+H	-0.1728361545	-1.8963082846	 2.2537714053	 0.291292
+H	-2.2041972487	-2.6154115801	 1.1786018326	 0.075666
+H	-0.2916681097	-2.2219344927	-0.2006015716	 0.112595
+H	-1.6195049985	-1.2794962472	-0.9137436285	 0.11689
+H	 0.0749973363	 1.9757416052	 0.0663255452	 0.118467
+H	-1.3535459339	 1.3493802603	-0.78855776	 0.108916
+H	-1.0025999634	 1.2554616074	 2.2539152718	 0.143363
+H	-1.8362336988	 2.5495650423	 1.4015367754	 0.105073
+H	-3.804519536	 1.2625887399	 1.4779044139	 0.094502
+H	-3.9662574783	-1.0985427975	 1.346631301	 0.090329
+19
+0 3578	2.5206645	1.2842224	1.1033595	1.5571	77.79	-0.24765	0.04518	0.29283000000000003	1185.7863	0.153872	-422.524155	-422.514248	-422.513304	-422.55847	37.071
+C	-0.9915087694	 2.6296604878	 1.0283087725	-0.489021
+C	-1.4038682923	 1.3458775906	 1.719397032	 0.362159
+O	-2.8205026382	 1.2311709245	 1.8147582193	-0.467189
+C	-0.7829906708	 0.9810761946	 3.1136860637	 0.111066
+O	-1.5552954532	 1.2981723613	 4.2341975224	-0.439763
+C	-0.6835286645	-0.4988637372	 2.6528478353	-0.289576
+C	-0.8290150531	-0.0098247194	 1.1762151565	-0.23085
+C	-1.6140785799	-0.7863271963	 0.242681887	 0.342897
+C	-2.2591466786	-1.4406275555	-0.5328651501	-0.44907
+H	-1.3278802513	 3.5020120645	 1.6034532213	 0.120408
+H	 0.0968385572	 2.6965985229	 0.9396944168	 0.124431
+H	-1.4249200283	 2.6862288135	 0.0243174931	 0.135654
+H	-3.1775840875	 2.1168047623	 1.9373589749	 0.287777
+H	 0.2013837941	 1.4367660969	 3.2574164226	 0.08499
+H	-2.4619331441	 1.0669263295	 3.9890830583	 0.277132
+H	 0.2174823643	-1.0596865224	 2.9067265822	 0.106854
+H	-1.5636789785	-1.0645211242	 2.9660704215	 0.118969
+H	 0.1618863651	 0.1864997821	 0.7518216128	 0.101758
+H	-2.8361344811	-2.0162033952	-1.2131672821	 0.191373
+19
+0 3579	2.0767697	1.5050703	1.2958466	0.6504	77.27	-0.259	0.01439	0.27339	1118.9637	0.153187	-422.516921	-422.507004	-422.50606	-422.551305	36.783
+C	 0.3912856	 0.0990356884	-0.5201622506	-0.400361
+C	 0.9629471153	-0.7297711026	 0.6127110091	 0.096135
+O	 2.4149411332	-0.6644911858	 0.6814354966	-0.297209
+C	 2.5700022065	-2.0505659323	 0.314685372	-0.145576
+C	 3.1218346178	-2.2416023534	-1.0184051857	 0.315544
+C	 3.5067243457	-2.4152915795	-2.1458416316	-0.422037
+C	 1.0160165111	-2.2792583488	 0.4211201649	 0.32348
+C	 0.5906312563	-3.0739782915	 1.6425952078	-0.428834
+O	 0.3688930848	-2.8256732761	-0.6924670569	-0.462494
+H	 0.6079676113	 1.1583823881	-0.3530936769	 0.12606
+H	 0.8220864033	-0.1876389929	-1.4832715154	 0.115588
+H	-0.6943143222	-0.0301217454	-0.5733765445	 0.125164
+H	 0.5278697908	-0.4182636983	 1.5708194028	 0.076181
+H	 3.1661055587	-2.5970218846	 1.0555178925	 0.103171
+H	 3.8883025293	-2.5629884263	-3.1265368662	 0.207941
+H	 0.866700396	-4.125927036	 1.5257158365	 0.126803
+H	 1.0611324734	-2.6804356653	 2.5479794104	 0.125181
+H	-0.4958169144	-3.0172989821	 1.7616100877	 0.129259
+H	 0.883223613	-2.6137109457	-1.4821562324	 0.286002
+19
+0 3580	2.6584247	1.2162921	0.9945998	2.4362	77.77	-0.2421	-0.03635	0.20575000000000002	1267.6335	0.153931	-422.589288	-422.579492	-422.578548	-422.624821	34.623
+C	-0.3355012734	-2.1638295308	 0.9588135457	-0.404824
+C	-0.9068857567	-1.0914781061	 0.0376166964	-0.083799
+C	-2.3138207758	-0.4769029975	 0.3352260058	-0.275583
+C	-1.7416271724	 0.9600079075	 0.2409206068	-0.221127
+C	-1.9370409623	 1.900670452	 1.422505743	 0.372008
+C	-1.231924353	 3.2337002822	 1.3028698788	-0.485508
+O	-2.569294024	 1.5683127695	 2.397903829	-0.293089
+C	-0.3234441551	 0.3229495204	 0.1597390875	 0.381681
+O	 0.7819056817	 0.770920493	 0.2553073614	-0.296064
+H	-0.8749471493	-3.108202237	 0.8375797323	 0.124396
+H	 0.7206601756	-2.341051522	 0.7357217374	 0.135968
+H	-0.4134201437	-1.8621784098	 2.0080836596	 0.130179
+H	-0.8272713315	-1.4118363134	-1.0094865038	 0.106729
+H	-3.1018207535	-0.723958477	-0.3763569791	 0.108705
+H	-2.6643108278	-0.6827002685	 1.3487084754	 0.137686
+H	-1.9651094119	 1.4891116353	-0.6923880419	 0.11621
+H	-1.3442145921	 3.8038750028	 2.2256674696	 0.14075
+H	-0.1717892384	 3.0610863436	 1.0830573829	 0.168882
+H	-1.6434881062	 3.8056072758	 0.4632165931	 0.1368
+19
+0 3581	2.3429316	1.2114806	1.0866646	1.9637	77.78	-0.24521	0.04732	0.29253	1223.5915	0.153689	-422.521367	-422.511324	-422.51038	-422.555648	37.536
+C	-0.0484250773	 0.0819195622	-0.1756472848	-0.43153
+C	 1.4667346258	-0.0934195626	 0.0031106975	 0.068675
+C	 2.2499708931	 1.2634513856	-0.060469337	-0.316513
+C	 2.5018094899	 1.0163779532	-1.5730491864	 0.138493
+O	 3.7130129529	 1.4062729862	-2.161942805	-0.433511
+C	 2.1944815182	-0.4766224344	-1.3532460384	 0.062349
+O	 1.4663043604	-1.0933893121	-2.376232071	-0.418497
+C	 1.7708456354	-0.9583725963	 1.1282749726	 0.25195
+C	 2.039549898	-1.6944293173	 2.0420290386	-0.447202
+H	-0.4866809022	 0.5144715217	 0.7281636198	 0.123644
+H	-0.2731889777	 0.7376229555	-1.0205229041	 0.125857
+H	-0.5298904616	-0.881112339	-0.3638540342	 0.121836
+H	 1.6981746008	 2.1612842824	 0.2238315561	 0.113599
+H	 3.1785357154	 1.2175251509	 0.5151256416	 0.104183
+H	 1.7158156964	 1.464637235	-2.1868047241	 0.107881
+H	 4.4341036665	 1.0366551072	-1.6412828817	 0.278032
+H	 3.1215020038	-1.0205102694	-1.119891507	 0.069282
+H	 1.4224408315	-2.0389073946	-2.2004976509	 0.291013
+H	 2.2711074608	-2.3349027443	 2.8566315284	 0.190457
+19
+0 3582	2.4665839	1.2893846	1.0770868	1.5274	76.81	-0.2491	0.03033	0.27943	1194.4715	0.153687	-422.515573	-422.505629	-422.504685	-422.549699	37.402
+C	 1.0547985511	-0.4017703382	 1.0000501659	-0.440959
+C	 0.8867174894	 0.0230874172	-0.4549102922	-0.090326
+C	 1.4780567161	 1.4296976301	-0.7935370091	 0.166127
+O	 1.5680689412	 2.4125483492	 0.2057683773	-0.431219
+C	 2.7668046671	 0.7507343113	-1.3225985115	-0.333016
+C	 1.9675899828	-0.590790069	-1.4341761217	 0.172656
+O	 2.6184371798	-1.7854832283	-1.0536966377	-0.465867
+C	 1.4214636409	-0.793240682	-2.7701881778	 0.353991
+C	 0.9464019143	-0.9136605978	-3.8672814485	-0.454927
+H	 0.8084580391	-1.4594432286	 1.1274598304	 0.138464
+H	 2.0772423113	-0.2567211832	 1.3742680201	 0.093112
+H	 0.3916682057	 0.1836690811	 1.6437169831	 0.135375
+H	-0.1470200582	-0.1382079633	-0.7673546642	 0.086391
+H	 0.9194404118	 1.893634184	-1.6091359909	 0.106522
+H	 2.0962320544	 2.064057412	 0.9310743688	 0.279418
+H	 3.2404134106	 1.1414742283	-2.2238401192	 0.118945
+H	 3.5226683052	 0.6684660888	-0.5320835523	 0.086694
+H	 3.034815932	-1.6344312513	-0.1991605956	 0.280243
+H	 0.5341953755	-1.0355099302	-4.838426355	 0.198374
+19
+0 3583	2.8311778	1.2307278	1.120116	1.0547	78.09	-0.24696	0.0231	0.27006	1181.7753	0.154167	-422.520004	-422.510167	-422.509223	-422.554184	36.876
+C	 1.0291773131	 1.0221514736	 0.0169704466	-0.411477
+C	 0.830702361	-0.4629308549	 0.3050858874	-0.040012
+C	 1.3567036017	-1.4249252289	-0.8009735346	-0.268113
+C	 2.6030410593	-1.7623365578	 0.064935505	 0.19292
+O	 3.6939573993	-0.9329986015	-0.3520871525	-0.47654
+C	 3.0089209642	-3.1496624727	 0.1926698342	 0.241535
+C	 3.3561490039	-4.2932867372	 0.3312101344	-0.448164
+C	 1.8718472159	-1.0917165042	 1.2937393049	 0.104114
+O	 2.660762227	-0.2608939859	 2.0893214834	-0.427843
+H	 0.8687972744	 1.6204275813	 0.9189706603	 0.124958
+H	 2.0386207894	 1.2280561248	-0.3530306431	 0.124243
+H	 0.3230150839	 1.361817631	-0.7477555409	 0.11374
+H	-0.2062212687	-0.6439060548	 0.6014895024	 0.069843
+H	 0.724399408	-2.2983272494	-0.9671502449	 0.113674
+H	 1.6112687974	-0.9729289356	-1.7620829551	 0.117622
+H	 4.4933117279	-1.286417963	 0.0543623304	 0.291708
+H	 3.6558103063	-5.3057774715	 0.4466269568	 0.20015
+H	 1.4175966377	-1.8396785376	 1.9475857658	 0.094708
+H	 3.2437082785	 0.2109443444	 1.4792994296	 0.282935
+19
+0 3584	2.0552775	1.5065605	1.3312948	0.6335	77.12	-0.2576	0.01966	0.27726	1114.9554	0.153442	-422.516639	-422.506711	-422.505767	-422.550921	36.795
+C	 0.464711928	 0.2588285553	-0.5332322192	-0.402307
+C	 0.9053204385	-0.7027525862	 0.5538578899	 0.104732
+O	 2.3373752548	-0.6584471942	 0.8044354344	-0.325068
+C	 2.5502410943	-1.9995412728	 0.2905672872	 0.170132
+C	 3.3026607241	-2.8740020094	 1.2850143493	-0.447472
+C	 3.1959416392	-1.9798292087	-1.0219142224	 0.320237
+C	 3.6658737136	-1.9807913051	-2.1303246041	-0.464495
+C	 0.9964262582	-2.2077276254	 0.1790971682	 0.03489
+O	 0.449268427	-2.6686828288	-1.0158017758	-0.425683
+H	 0.6501134214	 1.2894706981	-0.2167362351	 0.126667
+H	 1.011298718	 0.0875070652	-1.4645908026	 0.117647
+H	-0.6055316939	 0.1424009085	-0.7310712024	 0.12524
+H	 0.3568163722	-0.5048273618	 1.4829405812	 0.078762
+H	 2.7764203993	-2.8765354976	 2.2432784703	 0.123466
+H	 3.3765388239	-3.9001486502	 0.9125837206	 0.132615
+H	 4.3134276274	-2.4877262053	 1.4424267686	 0.137508
+H	 4.1168759191	-1.9718206934	-3.0925432536	 0.207086
+H	 0.6244695033	-2.8613539505	 0.9718580146	 0.099745
+H	 1.0060952316	-2.3573571279	-1.7416786493	 0.286298
+19
+0 3585	2.0604024	1.625925	1.1981447	2.6115	78.08	-0.24392	0.04468	0.28859999999999997	1122.1599	0.153879	-422.522105	-422.512458	-422.511514	-422.555796	36.853
+C	-2.3347784468	 2.0668932629	-2.2733416758	-0.436931
+C	-2.6562098605	 1.6949154485	-0.841448717	 0.427683
+O	-4.0263852584	 1.3764585744	-0.7838620695	-0.478467
+C	-1.7670610855	 0.632307351	-0.1171666319	-0.314789
+C	-1.8792586588	 1.4731812476	 1.1798228499	 0.083647
+O	-3.0313379977	 1.1369392839	 1.9421057295	-0.424538
+C	-2.2200392714	 2.7117697522	 0.2964534367	-0.275882
+C	-3.1573887387	 3.7025160897	 0.7705355612	 0.344682
+C	-3.9465016775	 4.5275422096	 1.147704404	-0.437984
+H	-2.5828982668	 1.2359440765	-2.9411120574	 0.125881
+H	-2.9282206252	 2.9344347981	-2.5771318487	 0.133892
+H	-1.2740546745	 2.3057446763	-2.3915027107	 0.106388
+H	-4.249283042	 1.2411111207	 0.1473626646	 0.284906
+H	-2.1723557114	-0.3821503639	-0.0807683197	 0.098716
+H	-0.7440089427	 0.6056695005	-0.503373806	 0.101269
+H	-0.994504922	 1.5559292996	 1.8218497335	 0.075712
+H	-2.9052127655	 0.2482757522	 2.2919529287	 0.290011
+H	-1.2792435382	 3.1865607411	-0.0033824238	 0.10348
+H	-4.6448413263	 5.2526677391	 1.4847394024	 0.192323
+19
+0 3586	1.9538389	1.5692418	1.2493953	2.3216	77.2	-0.24268	-0.0488	0.19388	1134.8719	0.153742	-422.580986	-422.571073	-422.570129	-422.61615	34.971
+C	-1.2125791549	 1.7737218385	-1.485099427	-0.409087
+C	-1.183697467	 1.0943104155	-0.1128318221	-0.09645
+C	-2.1803285734	-0.0907909848	 0.1074502529	-0.302411
+C	-1.0153962009	-1.1204005197	 0.1634631229	 0.092473
+C	-0.8330118937	-1.9828740959	 1.4140084926	-0.464107
+C	-0.8705899988	-1.9530910525	-1.0953885272	 0.123304
+O	-1.5406216237	-1.8307232831	-2.0896677097	-0.250649
+C	-0.0334389871	 0.101070579	 0.0891515902	 0.360107
+O	 1.15054261	 0.1928859847	 0.2195604011	-0.293903
+H	-1.2212511489	 1.0327825307	-2.2897568822	 0.144256
+H	-2.1116495368	 2.3896802972	-1.584080582	 0.12544
+H	-0.3381100115	 2.4177808769	-1.6155402846	 0.133907
+H	-1.1985454344	 1.8512554614	 0.6792448102	 0.103217
+H	-2.7419255101	-0.028937494	 1.041103399	 0.106908
+H	-2.8633932578	-0.2649483236	-0.7249598235	 0.131808
+H	-1.6399726662	-2.7169342465	 1.5076429936	 0.131663
+H	 0.1200830907	-2.5197601413	 1.3760517224	 0.140545
+H	-0.8299677971	-1.3641266472	 2.3157156486	 0.130083
+H	-0.0477084884	-2.6999071054	-1.0451716653	 0.092895
+19
+0 3587	2.6679192	1.2944186	1.1377612	3.6023	77.73	-0.2382	-0.02969	0.20851	1157.1794	0.155484	-422.584413	-422.575161	-422.574217	-422.618349	34.147
+C	-0.0698550539	 0.2924075837	 0.1948826861	-0.45077
+C	 1.3844561329	-0.1265511043	-0.0282874296	 0.162318
+C	 1.9733025454	 0.3108612758	-1.4031053776	-0.275646
+C	 2.9110398677	-0.822962724	-1.8559477817	 0.079634
+O	 4.248722368	-0.4681009765	-1.4773635725	-0.431948
+C	 2.3951023916	-2.0105826736	-1.0718034172	-0.114341
+C	 1.5888105733	-1.6324211197	-0.0810479469	-0.096449
+C	 2.2824027697	 0.4051115538	 1.0969053142	 0.129455
+O	 1.882506288	 0.9181013107	 2.1098762153	-0.259003
+H	-0.4227870308	-0.0359408763	 1.1755894937	 0.131043
+H	-0.1689445699	 1.3815123277	 0.1626042792	 0.125583
+H	-0.716279247	-0.1393042402	-0.5749640528	 0.110692
+H	 1.1477898241	 0.4141364516	-2.1132573146	 0.10955
+H	 2.5081088365	 1.2641636434	-1.3699239937	 0.119817
+H	 2.873077076	-0.9792223977	-2.9433512872	 0.07033
+H	 4.8048582264	-1.2484200962	-1.5735690393	 0.280921
+H	 2.6988824743	-3.0311119567	-1.281927497	 0.098994
+H	 1.1349223942	-2.2887259948	 0.6543652912	 0.110107
+H	 3.3659193733	 0.2638245435	 0.8962862705	 0.099713
+19
+0 3588	3.4783346	1.0412121	1.0232895	2.7064	78.34	-0.25034	-0.03987	0.21047	1265.1694	0.155653	-422.588485	-422.579472	-422.578528	-422.622357	33.704
+C	 1.3272642607	-0.749916768	-1.0976293893	-0.398121
+C	 1.3091248391	 0.0916898495	 0.1843968679	-0.020539
+C	 1.9064769411	-0.6300168965	 1.4212641722	-0.301266
+C	 2.7570251391	 0.4238781839	 2.1991553684	 0.300014
+O	 3.9759973162	-0.0979281995	 2.6632457275	-0.48044
+C	 1.969865947	 0.9674064162	 3.3839414136	 0.114123
+O	 2.4047501108	 0.9535426675	 4.5100096161	-0.277219
+C	 2.9272607745	 1.525910663	 1.1663846959	-0.145736
+C	 2.1448430896	 1.3500729578	 0.1048052007	-0.062978
+H	 0.7370198503	-1.6638123116	-0.9743690088	 0.118231
+H	 0.9087538414	-0.1938624812	-1.9432585231	 0.115194
+H	 2.3509048563	-1.0403053418	-1.3568405275	 0.123904
+H	 0.2641668208	 0.3687783477	 0.3873753279	 0.083686
+H	 1.1455365674	-1.1124561925	 2.0422370985	 0.102623
+H	 2.6137509387	-1.4038776289	 1.1093611746	 0.129221
+H	 3.9782201649	 0.0499517402	 3.6227866827	 0.290286
+H	 0.9687104389	 1.3811850445	 3.1468408946	 0.099233
+H	 3.61092624	 2.348701014	 1.3401767437	 0.108305
+H	 2.0903840133	 2.0215956357	-0.7464069856	 0.101478
+19
+0 3589	3.3906025	1.1268973	1.0762532	3.0864	78.47	-0.23274	-0.03373	0.19901	1216.4993	0.154103	-422.579373	-422.569911	-422.568967	-422.613879	34.31
+C	 1.2157278563	-0.6751528075	-0.9091708555	-0.390248
+C	 1.0938216563	 0.1596342764	 0.3657985109	 0.069787
+O	 1.8249537919	-0.4594020165	 1.4369604562	-0.314763
+C	 2.7947490533	 0.4326680965	 1.9933584819	 0.239756
+C	 4.1924541248	-0.1857058293	 1.9686898355	-0.420649
+C	 2.3567440418	 0.7518066926	 3.4327058211	 0.131807
+O	 3.1004908603	 1.061743694	 4.3248419007	-0.250316
+C	 2.6519796338	 1.6937453346	 1.1684628053	-0.130882
+C	 1.6870748163	 1.5402693181	 0.269870214	-0.096258
+H	 0.8655174634	-1.6942134877	-0.7233104339	 0.130423
+H	 0.6074379853	-0.2436108694	-1.7111150849	 0.114305
+H	 2.2565175886	-0.7184921328	-1.2425221035	 0.122006
+H	 0.0313065385	 0.2073490917	 0.653452533	 0.087727
+H	 4.1718001943	-1.1686524264	 2.4471074822	 0.13168
+H	 4.5385707867	-0.3015341373	 0.938984609	 0.11719
+H	 4.890292718	 0.4484784352	 2.520512625	 0.137417
+H	 1.2537802836	 0.6861117066	 3.5666777121	 0.085224
+H	 3.2671474338	 2.5678150823	 1.3379806377	 0.121622
+H	 1.3629029031	 2.2690434888	-0.4627181568	 0.114171
+19
+0 3590	3.6695427	0.9766771	0.9644809	2.6246	77.09	-0.25153	0.0513	0.30283	1298.813	0.15433	-422.518659	-422.509221	-422.508277	-422.552701	36.033
+O	 4.4257054967	-3.4430070469	-1.8469216885	-0.435569
+C	 4.4047154336	-2.8231699463	-0.5602517947	 0.090412
+C	 2.9617304681	-2.4925162943	-0.0933866472	-0.295266
+C	 3.0964915953	-1.1239091265	-0.8338976972	 0.434756
+O	 2.6112982155	-1.1709431958	-2.158860209	-0.487015
+C	 2.4960594403	 0.119444246	-0.1756865755	-0.403474
+C	 1.054106313	 0.025627413	 0.0200844349	 0.32545
+C	-0.1302106702	-0.0653135301	 0.2023140084	-0.461858
+C	 4.6470703377	-1.3112583355	-0.7649504099	-0.277281
+H	 4.0383929073	-4.3208755304	-1.7589875955	 0.28775
+H	 5.0599780342	-3.3568139756	 0.1379204335	 0.070397
+H	 2.1575720016	-3.1505531524	-0.4327318567	 0.102605
+H	 2.900491337	-2.3731614131	 0.9922297776	 0.104246
+H	 3.0196659004	-1.9433692908	-2.5729018551	 0.280866
+H	 2.9867623192	 0.2828243156	 0.7913405722	 0.120157
+H	 2.7333701863	 0.9855867435	-0.805845968	 0.138128
+H	-1.1789972531	-0.1381801172	 0.3493075437	 0.192395
+H	 5.2137300173	-1.0279531752	-1.6543838949	 0.113617
+H	 5.0890851097	-0.849072878	 0.1217629119	 0.099685
+19
+0 3591	2.3309845	1.5021426	0.9515587	3.5544	80.61	-0.24031	-0.04356	0.19674999999999998	1240.4902	0.155404	-422.608579	-422.598904	-422.59796	-422.643376	34.633
+C	 0.5094632037	-2.6664066556	-0.0676821573	-0.490468
+C	-0.3281133336	-1.4388494007	 0.0760590342	 0.206145
+C	 0.062366959	-0.1521113585	-0.0609407504	 0.117112
+C	 1.4130689359	 0.4246384373	-0.3456641612	-0.505827
+C	-1.0943878261	 0.7195680554	 0.2103675588	 0.299121
+O	-1.1042071729	 1.914478371	 0.4287326782	-0.358619
+C	-2.3535057532	-0.1523260678	 0.255732822	 0.052296
+O	-3.2387265242	 0.2653619078	 1.2647456151	-0.441281
+C	-1.7945118297	-1.568014461	 0.4467942673	-0.331575
+H	 0.4765803287	-3.2665438892	 0.8501442751	 0.140994
+H	 0.1120706212	-3.3056004712	-0.8666238778	 0.140405
+H	 1.5526885202	-2.4420749952	-0.2980443888	 0.132958
+H	 1.587610238	 1.286741046	 0.3057337551	 0.150612
+H	 2.2195963711	-0.2970458695	-0.1977315915	 0.12321
+H	 1.4751385721	 0.7945287249	-1.3761017128	 0.138073
+H	-2.8293593022	-0.0828519758	-0.7387296007	 0.090182
+H	-3.085417128	 1.2168099888	 1.3610587057	 0.290969
+H	-1.904518006	-1.8635077748	 1.497563854	 0.13507
+H	-2.303337554	-2.3292999721	-0.1546163452	 0.110623
+19
+0 3592	2.1557239	1.3779208	0.9365553	4.8759	81.84	-0.24172	-0.04906	0.19266	1275.8383	0.155656	-422.592297	-422.582976	-422.582032	-422.626489	33.921
+C	 1.3670005399	 0.7459549225	 0.2163525822	-0.503878
+C	-0.006791711	 0.2059961181	-0.0194133013	 0.239492
+C	-1.1448520883	 0.867098637	-0.317320247	 0.15756
+C	-2.3167318467	-0.0727938743	-0.4919635885	-0.306501
+C	-1.8065236929	-1.4048800073	 0.0893647896	 0.106807
+O	-2.2725024812	-1.4707687818	 1.4320760225	-0.435534
+C	-0.2628657251	-1.2834727337	 0.0315840235	-0.322557
+C	-1.2948568203	 2.3090508636	-0.4971405072	 0.055199
+O	-2.3396561656	 2.8427403453	-0.8101221774	-0.274763
+H	 1.715921451	 0.4698649919	 1.2194047337	 0.138908
+H	 2.0798340219	 0.3024200636	-0.4904893172	 0.136038
+H	 1.426883764	 1.8312561426	 0.122520602	 0.137973
+H	-3.2125401579	 0.2619218117	 0.0367995122	 0.137213
+H	-2.5870766869	-0.1691076251	-1.5503509557	 0.112824
+H	-2.1678367251	-2.2701150766	-0.4822145591	 0.064897
+H	-1.9553851503	-2.2934568424	 1.81829334	 0.280338
+H	 0.2174568046	-1.7686583267	 0.8909179454	 0.100834
+H	 0.1480405699	-1.7657604381	-0.8677207753	 0.114371
+H	-0.38101449	 2.9186157597	-0.3296496226	 0.06078
+19
+0 3593	2.1903274	1.7853994	1.1959707	2.8581	78.93	-0.22664	0.01184	0.23848	1092.6816	0.156424	-422.522648	-422.514017	-422.513073	-422.555681	32.35
+C	-0.0175612078	 1.4730398827	 0.0966855013	-0.49667
+C	 0.0044412611	-0.0060316593	-0.1064169451	 0.192821
+C	-1.0033674218	-0.8592755341	-0.2647692418	 0.098277
+C	-2.3813139213	-1.2477093244	 0.2130187533	-0.153417
+O	-1.8420041766	-2.5522418941	 0.5933301392	-0.297346
+C	-0.6118778014	-2.2915195198	-0.1479858862	 0.126768
+C	 0.7832499577	-2.2258027628	 0.5229690247	 0.059634
+O	 0.6054264937	-2.206809015	 1.9244915289	-0.417996
+C	 1.2890997756	-0.8411468736	-0.0144886532	-0.328862
+H	 0.5241522833	 1.9963102372	-0.7019363202	 0.128883
+H	-1.0392626477	 1.861949111	 0.1161533474	 0.125337
+H	 0.4751572093	 1.7469224717	 1.0384492384	 0.127515
+H	-2.7845028965	-0.6919310185	 1.0669476543	 0.118488
+H	-3.1583969467	-1.3567678722	-0.5551148039	 0.104116
+H	-0.5847555352	-2.9050609273	-1.0596408795	 0.073374
+H	 1.4432182078	-3.0519954221	 0.219747917	 0.056851
+H	 1.4738017322	-2.1086456947	 2.3272859617	 0.282665
+H	 1.8028300504	-0.9519176583	-0.9796698368	 0.105949
+H	 2.015315284	-0.3958471864	 0.6777420205	 0.093612
+19
+0 3594	2.8807292	1.3509245	1.015847	2.3808	79.	-0.24289	0.00383	0.24672	1202.758	0.156334	-422.557727	-422.549085	-422.548141	-422.590785	33.023
+C	 1.4156833624	 0.8056518188	 0.3194215094	-0.48814
+C	 0.0701349919	 0.1561926803	 0.2989350107	 0.306825
+C	-0.1964054784	-1.138452825	 0.0814276745	-0.25907
+C	-1.6492164647	-1.399939799	 0.1616723234	 0.370492
+C	-2.3640468585	-2.6313680185	-0.171100981	-0.247779
+O	-2.1378917588	-2.2892288693	 1.2059362854	-0.290968
+C	-2.3322197523	-0.0210989133	 0.1335642517	 0.066913
+O	-3.5021346609	 0.0131532294	 0.9100464831	-0.445405
+C	-1.1975163472	 0.9455451847	 0.5632320611	-0.345282
+H	 1.6031561125	 1.2842896335	 1.2888404873	 0.133807
+H	 2.2179729725	 0.0876363072	 0.1300420995	 0.12668
+H	 1.4789486264	 1.6003594673	-0.4346042965	 0.131097
+H	 0.5381477968	-1.9166322687	-0.0902637735	 0.098057
+H	-3.4020007037	-2.5692739122	-0.4968655865	 0.120888
+H	-1.8174426515	-3.5054202423	-0.5229577119	 0.116588
+H	-2.6128543465	 0.2085575962	-0.9024724947	 0.090778
+H	-3.4187591867	-0.7238007746	 1.5342573056	 0.290612
+H	-1.225809492	 1.8958769289	 0.0186707942	 0.104848
+H	-1.2927744711	 1.1893626067	 1.6294688684	 0.119061
+19
+0 3595	2.9109921	1.1615106	0.883681	2.5716	78.52	-0.23792	-0.02993	0.20799	1319.747	0.155336	-422.587095	-422.577832	-422.576887	-422.621369	33.818
+C	 1.3705770997	 1.0611117505	 0.2688622392	-0.491133
+C	 0.1210075646	 0.2432744123	 0.2025773479	 0.321847
+C	-0.0196712589	-1.047317827	 0.5226001849	-0.20568
+C	-1.4295471266	-1.5275020224	 0.2681585525	-0.141991
+C	-2.03269243	-2.5045249959	 1.2478608764	 0.136125
+O	-3.2003713927	-2.4882212001	 1.5587280376	-0.257994
+C	-2.2290971066	-0.2017062344	 0.1722270414	 0.140733
+O	-3.3513285871	-0.254089435	-0.6781991487	-0.444854
+C	-1.186898302	 0.8209779818	-0.3062261655	-0.329975
+H	 1.2363133228	 1.9334667471	 0.9208187919	 0.129471
+H	 2.2167216548	 0.4795564579	 0.6447921311	 0.124099
+H	 1.6378347031	 1.4527435449	-0.7208653814	 0.130476
+H	 0.7764502825	-1.6933929509	 0.8785317839	 0.092171
+H	-1.4838380412	-2.041894371	-0.7096671233	 0.117571
+H	-1.3463000816	-3.277488386	 1.6619307772	 0.083324
+H	-2.5358662507	 0.0632381486	 1.1948747751	 0.08126
+H	-3.9838407726	-0.8437376757	-0.2508768854	 0.29009
+H	-1.1943081011	 0.8697222873	-1.4045610009	 0.118554
+H	-1.3866223366	 1.833872728	 0.059105736	 0.105906
+19
+0 3596	2.5710121	1.5575442	1.1715405	2.6671	76.61	-0.24219	-0.00131	0.24087999999999998	1104.3914	0.157451	-422.556736	-422.548446	-422.547502	-422.589491	32.051
+C	 1.4164905606	 0.7086723036	-0.5496816204	-0.482749
+C	 0.0531858651	 0.1303986702	-0.3040434803	 0.324289
+C	-0.1351606991	-1.1500625555	 0.0344385278	-0.184904
+C	-1.4868674898	-1.6931677761	 0.3021836512	 0.024264
+O	-2.294359823	-2.0968260322	-0.8406899909	-0.267211
+C	-2.6602575862	-0.91628092	-0.1157470411	-0.01361
+C	-2.4223260571	 0.3929590436	-0.8892601293	 0.100506
+O	-2.3911449401	 0.1421953825	-2.281175725	-0.439914
+C	-1.1223427782	 1.0796999385	-0.4310214745	-0.323944
+H	 1.5970987191	 1.5725823276	 0.103027482	 0.127984
+H	 2.2088062457	-0.0243618665	-0.3770995472	 0.123014
+H	 1.502222026	 1.076296604	-1.5799022695	 0.136193
+H	 0.7094789959	-1.8262382977	 0.1364281637	 0.086533
+H	-1.5824825113	-2.3861514994	 1.1369436006	 0.097952
+H	-3.5929830477	-1.0051189074	 0.4379745306	 0.09813
+H	-3.262043188	 1.0729197483	-0.7027736549	 0.077462
+H	-2.136557126	-0.7872361239	-2.3721749155	 0.292771
+H	-0.8925577916	 1.8678913244	-1.1554331298	 0.115701
+H	-1.2826063143	 1.584567986	 0.5337704726	 0.107534
+19
+0 3597	2.6569846	1.3120423	1.0910871	1.6236	78.07	-0.2324	-0.02033	0.21206999999999998	1186.5215	0.156282	-422.595653	-422.586581	-422.585637	-422.629521	33.676
+C	 1.2780290496	 0.6421035681	-0.5825350281	-0.478461
+C	-0.1056145723	 0.1397186315	-0.2741886208	 0.327585
+C	-1.132756718	 0.9632544859	-0.0568882072	-0.145799
+C	-2.535155435	 0.5159783053	 0.2684523566	-0.346841
+C	-2.6152888964	-0.9692764671	 0.578252403	 0.359699
+O	-3.3463775926	-1.4366259111	 1.4196516695	-0.318282
+C	-1.7075200807	-1.8410864574	-0.2931132313	 0.013151
+O	-2.1130499978	-1.70481002	-1.6566104193	-0.432656
+C	-0.2574995233	-1.3645363629	-0.2031665173	-0.311074
+H	 2.0080844006	 0.2652723393	 0.1458559053	 0.122786
+H	 1.6136093908	 0.2925240857	-1.5673015466	 0.127442
+H	 1.3233587471	 1.7341081273	-0.5738597044	 0.121728
+H	-0.9765325126	 2.0381310912	-0.1138412078	 0.083692
+H	-2.9554613621	 1.0651621797	 1.1173446065	 0.127475
+H	-3.1974349197	 0.7156260733	-0.5877671015	 0.136499
+H	-1.7966029871	-2.8809074089	 0.0458788655	 0.082837
+H	-2.9879112789	-2.0983232638	-1.7438711066	 0.292779
+H	 0.1883821066	-1.7378402536	 0.7296293442	 0.11955
+H	 0.3008186118	-1.8415732924	-1.0186731294	 0.117887
+19
+0 3598	2.2433323	1.5464784	1.0253164	4.4652	75.72	-0.22777	-0.08638	0.14139000000000002	1199.2707	0.155724	-422.602192	-422.592893	-422.591949	-422.636454	33.751
+C	-0.5319249902	 2.2990765751	-0.930173278	-0.403425
+C	-0.98946841	 1.0765942828	-0.1400556157	-0.100114
+C	-2.3872722959	 0.5109967557	-0.4901164396	-0.253907
+C	-2.4036794191	-0.9578151234	 0.0030838669	-0.10986
+C	-2.8835149423	-1.1168094894	 1.4585338896	-0.399635
+C	-0.9501924133	-1.4062784936	-0.1180171951	 0.318564
+O	-0.5206155774	-2.5279198875	-0.0847128493	-0.28884
+C	-0.0703692323	-0.1287268685	-0.2817703575	 0.308463
+O	 1.1113813967	-0.1368037045	-0.5001823289	-0.289088
+H	-0.5657083303	 2.1002029118	-2.006337046	 0.125008
+H	-1.1702495605	 3.1631913449	-0.7244061406	 0.117894
+H	 0.4987185305	 2.5553060667	-0.6717950988	 0.140848
+H	-0.9760131105	 1.3197426981	 0.9348629947	 0.114157
+H	-3.1943478674	 1.1037461637	-0.0511500368	 0.109169
+H	-2.5211760413	 0.5401913141	-1.5778377643	 0.111306
+H	-3.0215443688	-1.5955080963	-0.6362401694	 0.107487
+H	-2.7849278476	-2.1568142508	 1.7804429679	 0.143345
+H	-2.3025111621	-0.4939753991	 2.1471031174	 0.122762
+H	-3.9333076783	-0.8215090399	 1.5451261334	 0.125865
+19
+0 3599	2.5090568	1.514529	1.1697134	2.6111	78.83	-0.23604	-0.05596	0.18008	1110.0998	0.157622	-422.595364	-422.586647	-422.585703	-422.628837	32.872
+C	-3.7453538278	 0.0334989321	 1.036027094	-0.389585
+C	-3.0053941062	 0.1393516568	-0.3167317723	-0.034952
+C	-2.2840229979	-1.1592852718	-0.7260903642	-0.253651
+C	-0.9353174475	-1.3693350589	-0.0467080508	 0.03453
+O	-1.1487591906	-1.7543715817	 1.3127388254	-0.43077
+C	-0.0552815396	-0.108368165	-0.0363614696	 0.351108
+O	 1.1383690892	-0.213261473	 0.1830058188	-0.351652
+C	-0.7222850111	 1.1925473144	-0.1879632743	-0.152568
+C	-2.0538128756	 1.3035443066	-0.2977757414	-0.043707
+H	-4.5122808981	-0.745737266	 0.9847252811	 0.11721
+H	-3.0468498216	-0.2249883337	 1.8334863538	 0.149073
+H	-4.2396024828	 0.9773785086	 1.2884200145	 0.109576
+H	-3.7656287072	 0.3535111315	-1.0802342087	 0.0848
+H	-2.9192180133	-2.0296391501	-0.5308610415	 0.111037
+H	-2.1012605363	-1.1303392871	-1.8068021817	 0.106429
+H	-0.3708395425	-2.1516195708	-0.5743276834	 0.084505
+H	-0.27774967	-1.8160049094	 1.7233565388	 0.293476
+H	-0.0740772402	 2.0629568664	-0.1541042346	 0.106882
+H	-2.5018394508	 2.2951166911	-0.3410657641	 0.108258
+19
+0 3600	2.5147182	1.4505334	1.0360966	3.4406	78.36	-0.23971	-0.05721	0.1825	1176.6375	0.15698	-422.597552	-422.588614	-422.58767	-422.631114	33.339
+C	-0.0197677913	 2.505694575	 0.330471336	-0.407949
+C	-0.8568878747	 1.2635825159	 0.0292516016	-0.093583
+C	-2.0676424461	 1.104438883	 0.9651691295	-0.222545
+C	-2.9205575364	-0.1091353354	 0.6021037893	 0.066043
+O	-3.6346625006	 0.2190298812	-0.5962860142	-0.431957
+C	-2.0705389959	-1.3427467991	 0.397154639	-0.090233
+C	-0.7602234509	-1.2910719157	 0.1384361245	-0.129796
+C	-0.0142781236	-0.0111045595	 0.030569947	 0.373446
+O	 1.1949936891	-0.0038916668	-0.0862905646	-0.333729
+H	 0.3545186114	 2.4867538581	 1.3596816382	 0.11741
+H	 0.8465692634	 2.5571819784	-0.3316625017	 0.13553
+H	-0.617906952	 3.4129084394	 0.2024774346	 0.109009
+H	-1.2563728052	 1.3364251082	-0.9934100608	 0.119546
+H	-1.7239205858	 0.9952957869	 2.000964814	 0.104117
+H	-2.6971132353	 1.9988903883	 0.9236043962	 0.11319
+H	-3.6389327285	-0.3024747858	 1.4138067639	 0.072409
+H	-4.0679041657	-0.5771801626	-0.9211671349	 0.284446
+H	-2.5774622511	-2.3055941959	 0.4483603562	 0.103511
+H	-0.1635504407	-2.1879785134	-0.0000957838	 0.111137
+19
+0 3601	2.7608883	1.403723	0.9834921	3.2538	79.65	-0.23154	-0.05498	0.17656	1216.6674	0.15589	-422.588807	-422.579841	-422.578897	-422.622446	33.272
+C	-4.0155387354	 0.1517147508	 1.3231613545	-0.404268
+C	-2.8678469282	 0.0210731126	 0.323758393	 0.088342
+O	-2.0496260076	-1.044726675	 0.7678571858	-0.270946
+C	-0.8484397621	-1.2235831863	 0.0269493237	 0.012382
+C	-0.1217931486	-2.4348802067	 0.5858977058	-0.400476
+C	 0.010437482	 0.049115744	 0.0662112365	 0.359189
+O	 1.2211776993	 0.0157683482	-0.0206160259	-0.330365
+C	-0.7506664517	 1.3119022931	 0.1272927292	-0.166898
+C	-2.0866016949	 1.2999911527	 0.1824212608	-0.058712
+H	-3.6291261538	 0.4220000556	 2.3097177448	 0.133811
+H	-4.7250662975	 0.9184061594	 0.9989246555	 0.118263
+H	-4.5423081082	-0.8018651879	 1.4057673186	 0.13326
+H	-3.2926721698	-0.2284019475	-0.6698150715	 0.083428
+H	-1.0950232629	-1.397712022	-1.0386708886	 0.086255
+H	 0.0681106286	-2.2979246836	 1.6540745167	 0.129673
+H	-0.7256880176	-3.3350861586	 0.4505907847	 0.118341
+H	 0.8362777259	-2.5558498587	 0.0779477243	 0.141217
+H	-0.1736076407	 2.2287679652	 0.0597750061	 0.113811
+H	-2.6598215367	 2.2230142248	 0.1276964258	 0.113693
+19
+0 3602	2.0744692	1.4768151	1.0420889	1.6769	77.03	-0.25553	0.0369	0.29242999999999997	1214.8087	0.155465	-422.532657	-422.523246	-422.522301	-422.56787	34.747
+C	 0.4950734854	 0.4469270876	-0.2001958526	-0.410396
+C	 1.0886599044	-0.7738542592	 0.4789703785	 0.15623
+C	 0.5818521322	-2.1376230166	-0.0440752265	-0.257991
+C	 1.8393361099	-3.0226034916	-0.1483739285	 0.120269
+O	 2.0733412339	-3.2806318972	-1.52339099	-0.432859
+C	 2.9491176806	-2.1124833176	 0.4639172616	-0.140315
+O	 2.5010054954	-0.7865578468	 0.2391119062	-0.244402
+C	 3.1680427509	-2.3963876225	 1.8882780393	 0.344941
+C	 3.332001927	-2.6423672255	 3.0537695225	-0.48128
+H	 0.945998924	 1.3629910591	 0.1912061368	 0.126562
+H	 0.6729727563	 0.4054405937	-1.2790644465	 0.12785
+H	-0.5842541794	 0.4925742786	-0.0245764354	 0.116094
+H	 0.9181844613	-0.7131249327	 1.5649605601	 0.075874
+H	-0.1750063993	-2.5708861452	 0.6127637184	 0.107759
+H	 0.1555446216	-2.0443505887	-1.0458462291	 0.123693
+H	 1.747094562	-3.9584293757	 0.4153357915	 0.082021
+H	 2.8228252732	-3.880657753	-1.594843047	 0.283024
+H	 3.8893724459	-2.2324372336	-0.0850929182	 0.103169
+H	 3.4892734148	-2.8512644631	 4.0832595289	 0.199757
+19
+0 3603	2.4561487	1.3321773	0.9358813	0.8962	78.29	-0.25479	0.0268	0.28159	1281.2816	0.154398	-422.533122	-422.523521	-422.522576	-422.568065	34.84
+C	 2.5069113199	 0.3159677454	 3.5549148762	-0.40479
+C	 2.5119088046	 0.4818682294	 2.051793515	 0.239488
+O	 1.5841259877	-0.4040638118	 1.4326751067	-0.295554
+C	 0.8475876487	 0.3128538747	 0.4434423409	 0.123961
+C	 0.81502411	-0.4454032137	-0.8721669092	-0.408575
+C	 1.5870790852	 1.6759320598	 0.3880938308	-0.09218
+O	 2.1159979308	 1.7913186309	 1.7044392239	-0.266391
+C	 0.7432462037	 2.810439221	 0.0553723324	 0.304691
+C	 0.0288585938	 3.7230791742	-0.2593980644	-0.42049
+H	 2.7793889219	-0.7102659742	 3.8135865102	 0.12905
+H	 3.2299777031	 0.998115008	 4.0098726136	 0.12793
+H	 1.5102451186	 0.5327215222	 3.9465734953	 0.131565
+H	 3.5151937278	 0.2773362129	 1.6341996515	 0.065017
+H	-0.17398895	 0.4802495149	 0.8099163945	 0.088141
+H	 0.3336540967	-1.4176474492	-0.739352006	 0.131975
+H	 0.2486292454	 0.1191207214	-1.6200457998	 0.127016
+H	 1.8288461795	-0.6126910733	-1.2489997259	 0.120511
+H	 2.4129527052	 1.6050107994	-0.3409086685	 0.096507
+H	-0.5971212828	 4.5381964478	-0.5276472571	 0.202126
+19
+0 3604	2.5064548	1.2556116	0.9471901	2.2388	77.6	-0.25224	0.04642	0.29866000000000004	1258.5362	0.156048	-422.544317	-422.535015	-422.534071	-422.578588	35.061
+O	 0.06632764	 3.2109787813	-1.1944362758	-0.432053
+C	-1.0182681559	 3.250582243	-0.26869668	 0.092901
+C	-2.0909588017	 2.2688166627	-0.7948204524	-0.226574
+C	-2.0873052494	 1.0575405599	 0.1570322974	 0.135542
+O	-2.2584429287	-0.1391653512	-0.5692381085	-0.442424
+C	-0.7256821495	 1.1646249116	 0.8990901243	-0.173055
+C	-0.6032784672	 2.6867591953	 1.1066660258	-0.240851
+C	-0.6542548544	 0.3400783014	 2.0922544589	 0.269169
+C	-0.6383315931	-0.3612005905	 3.0700283655	-0.440348
+H	 0.7551200809	 3.8004140548	-0.8697460492	 0.280555
+H	-1.402353069	 4.275915684	-0.1835766771	 0.061891
+H	-3.0789175198	 2.7296753481	-0.856774786	 0.103909
+H	-1.8075200689	 1.9412560596	-1.7976300556	 0.134989
+H	-2.8837486624	 1.1665564149	 0.9099644457	 0.070965
+H	-2.2494164236	-0.866304811	 0.0633919115	 0.286555
+H	 0.0480987325	 0.852664422	 0.1864542214	 0.120607
+H	-1.3049514943	 3.0143488789	 1.882770934	 0.107015
+H	 0.3984356698	 3.0057408584	 1.4090372625	 0.098654
+H	-0.6050840954	-0.9731030233	 3.9371860376	 0.192553
+19
+0 3605	3.0931332	1.1523929	0.8997507	3.6804	81.16	-0.25422	-0.06566	0.18856	1305.9288	0.15652	-422.590602	-422.581649	-422.580704	-422.624322	33.173
+C	-1.5135834443	-3.9519016922	 0.930148439	-0.400351
+C	-1.2134508407	-2.7547403335	 0.0202023603	-0.023316
+C	-1.9986305065	-1.4618073569	 0.3735345983	-0.245058
+C	-1.0506214294	-0.285609954	 0.0660735948	 0.0345
+O	-1.2116417585	 0.7429121263	 1.0224692917	-0.442767
+C	 0.317470514	-0.9498653398	 0.0983843801	 0.20434
+C	 1.5527618981	-0.1749154809	 0.1399074126	 0.071976
+O	 1.5767965674	 1.0407334466	 0.2014014627	-0.29196
+C	 0.2205159465	-2.2854410149	 0.0600481589	-0.157569
+H	-0.9283369277	-4.8309579688	 0.6405256475	 0.116084
+H	-1.2805021037	-3.7171112062	 1.9739536185	 0.125014
+H	-2.5726653372	-4.2222286969	 0.8749185725	 0.124386
+H	-1.4405073533	-3.0548755937	-1.0149724226	 0.095858
+H	-2.957049553	-1.3896177042	-0.1449922342	 0.104817
+H	-2.1957122593	-1.4359463336	 1.4506467859	 0.120755
+H	-1.2309987179	 0.1093395286	-0.9488499682	 0.075112
+H	-0.4822990109	 1.3605697969	 0.8745655274	 0.294953
+H	 2.4965340701	-0.7609637623	 0.1199758156	 0.083187
+H	 1.0641710363	-2.9708339104	 0.0414000193	 0.110039
+19
+0 3606	2.2098939	1.2867865	0.8736156	2.8488	79.8	-0.25223	-0.06625	0.18598	1325.4229	0.155929	-422.582988	-422.573708	-422.572764	-422.617325	33.762
+C	-1.2033287575	 0.8607449409	-1.0499937019	-0.404986
+C	-1.0544209928	-0.2775584204	-0.0326764	-0.098616
+C	-2.0379240785	-1.4534439073	-0.2698604472	-0.255652
+C	-1.27395188	-2.7444927119	 0.1192327858	 0.109057
+O	-1.5963779102	-3.8858611174	-0.6583758254	-0.428726
+C	 0.1686390465	-2.3137592596	 0.0401578823	-0.200026
+C	 0.2974469399	-0.9822472527	-0.041792394	 0.223657
+C	 1.6010490848	-0.2861451836	-0.0625297881	 0.070431
+O	 2.6742876731	-0.8439040348	-0.1218987054	-0.260945
+H	-0.9981329777	 0.5058681399	-2.0659332254	 0.11865
+H	-2.2229224048	 1.2592176049	-1.0327297502	 0.122413
+H	-0.5228962756	 1.6916895846	-0.8394290554	 0.121413
+H	-1.2255336131	 0.1400126471	 0.9704869613	 0.090629
+H	-2.984394632	-1.3405981661	 0.2636759674	 0.109291
+H	-2.2747776773	-1.5145975908	-1.3399981208	 0.09748
+H	-1.5117984693	-3.0471583759	 1.14812005	 0.106546
+H	-1.3422301793	-3.699656932	-1.5693916406	 0.277865
+H	 0.9962445849	-3.0126685256	 0.0842154964	 0.13119
+H	 1.5466376689	 0.8236664506	-0.0127941589	 0.070328
+19
+0 3607	2.3183596	1.3265431	0.9069693	1.6452	80.92	-0.24637	-0.06699	0.17938	1303.9024	0.154987	-422.577005	-422.567599	-422.566655	-422.611578	33.657
+C	-1.6325579406	 3.4956502002	-1.163872308	-0.391437
+C	-1.1929425987	 2.6278914249	 0.0187895562	 0.090482
+O	-1.936661502	 1.4045958499	 0.0414087315	-0.296256
+C	-1.0681751516	 0.2659202154	 0.0250488595	 0.029468
+C	-1.3148498342	-0.6002653256	 1.261766265	-0.396211
+C	 0.3225207033	 0.8600226417	-0.0560339871	 0.200914
+C	 1.5696191076	 0.0811247623	-0.1496347598	 0.070843
+O	 2.6780682631	 0.5665082681	-0.1902354651	-0.261084
+C	 0.2403397477	 2.1932042244	-0.0371809392	-0.182073
+H	-1.4165308845	 2.9937201959	-2.1112278481	 0.12419
+H	-2.7083389367	 3.6806107129	-1.1041798009	 0.132442
+H	-1.1140085041	 4.459790685	-1.1492505274	 0.117723
+H	-1.3917459645	 3.184063693	 0.9507164254	 0.093373
+H	-1.2948722779	-0.3309700135	-0.8732654955	 0.088601
+H	-0.7032647455	-1.5085633363	 1.2314272627	 0.115893
+H	-1.0734556593	-0.0463022594	 2.1736753724	 0.122552
+H	-2.366099379	-0.898064571	 1.3020114164	 0.131458
+H	 1.4343949936	-1.022544535	-0.1879934713	 0.072247
+H	 1.0820060333	 2.8736428368	-0.0699996268	 0.136875
+19
+0 3608	1.822315	1.5984337	1.1468032	1.7854	77.89	-0.23928	0.04621	0.28549	1163.3163	0.153976	-422.522103	-422.51213	-422.511186	-422.556292	37.355
+C	-0.0652569582	 0.0629470301	-0.2187255151	-0.416581
+C	 1.4493460284	-0.0905347753	-0.0339376919	 0.015181
+C	 1.7763519201	-0.9048814071	 1.120034745	 0.237043
+C	 2.0787907436	-1.5771772291	 2.0723499026	-0.449953
+C	 2.2144740404	 1.2940101451	-0.1414750721	 0.10576
+O	 1.4963531028	 2.4769537832	 0.0900619455	-0.416946
+C	 2.4871558663	 1.011450708	-1.6288523272	-0.281279
+C	 2.1864977944	-0.477127137	-1.383400417	 0.105754
+O	 1.4401145372	-1.0823729179	-2.4057643639	-0.416942
+H	-0.5088372917	 0.5347959574	 0.6616301594	 0.114535
+H	-0.2974882694	 0.6774176312	-1.0899479669	 0.132358
+H	-0.5317447266	-0.9158950704	-0.3554416864	 0.114532
+H	 2.3358056598	-2.1711507939	 2.914159321	 0.189496
+H	 3.1327487573	 1.256907706	 0.4573943861	 0.077433
+H	 1.425252884	 2.6089437874	 1.0410891541	 0.288544
+H	 1.7045222313	 1.4574937096	-2.2473080939	 0.129606
+H	 3.4641943609	 1.27943764	-2.0330603227	 0.105487
+H	 3.0963604619	-1.0468807253	-1.1580339973	 0.07743
+H	 1.3520124174	-2.0197516621	-2.2045469094	 0.288542
+19
+0 3609	1.7981839	1.5977976	1.3193336	1.3512	76.92	-0.24151	0.03468	0.27619	1124.0441	0.153257	-422.518631	-422.508482	-422.507538	-422.553025	37.558
+C	 0.3424632548	 0.7410694042	-0.0844889331	-0.416191
+C	 0.9554919203	-0.6470704721	-0.0363776482	-0.010665
+C	 2.0345628033	-1.0618338577	-1.0730019248	-0.265893
+C	 2.7333026903	-1.8842201364	 0.0229127964	 0.118147
+O	 4.129791502	-1.8831350122	-0.0296589749	-0.427525
+C	 1.9667129965	-1.0335883624	 1.1081414855	 0.073105
+O	 1.4607225108	-1.7148900474	 2.2403643181	-0.474033
+C	 2.7630929285	 0.0857450112	 1.5867727712	 0.396169
+C	 3.4384896448	 1.0078436249	 1.957284519	-0.475275
+H	-0.3064888213	 0.91430096	 0.7804174103	 0.123305
+H	 1.1184756425	 1.511573367	-0.0812012207	 0.12991
+H	-0.2616318156	 0.8669051922	-0.9894265631	 0.113965
+H	 0.1598186046	-1.4036778073	-0.0169196654	 0.06624
+H	 1.7090702745	-1.5847280959	-1.9733414316	 0.101878
+H	 2.6641537834	-0.2127048608	-1.3520841068	 0.123547
+H	 2.3270136934	-2.9093695538	 0.0679233717	 0.056159
+H	 4.4667461812	-2.2006672095	 0.8152782809	 0.28915
+H	 0.8908179688	-2.4216356335	 1.9178205389	 0.2786
+H	 4.0327104772	 1.8217010594	 2.2929051567	 0.199406
+19
+0 3610	1.9322952	1.5659834	1.1692441	0.2477	78.01	-0.25651	0.02885	0.28536	1169.82	0.152981	-422.513197	-422.503061	-422.502117	-422.547938	37.07
+C	 4.2873829704	-1.6382297048	 0.2683813281	-0.409783
+C	 2.7777446949	-1.697817393	 0.2604294142	 0.10903
+O	 2.1545240635	-0.7089467797	 1.1131108215	-0.320843
+C	 1.1256214217	-0.444908968	 0.1307732146	 0.109032
+C	 0.7822185105	 1.0199421309	-0.0066723512	-0.409781
+C	 1.9788744657	-1.1567604532	-0.97597085	 0.082422
+O	 2.7030375148	-0.2894436657	-1.8222715757	-0.459837
+C	 1.2996285367	-2.1382174044	-1.8030998124	 0.351963
+C	 0.7149211716	-2.97442592	-2.437369993	-0.450678
+H	 4.658438872	-1.8434868424	 1.2770991417	 0.13334
+H	 4.6994519573	-2.3892218612	-0.4123799478	 0.133803
+H	 4.6600303955	-0.6560213919	-0.034734412	 0.107577
+H	 2.4317899637	-2.7060395362	 0.5265846862	 0.079743
+H	 0.2237625857	-1.031561764	 0.3533265856	 0.079743
+H	 0.3871618316	 1.3958810575	 0.9419680724	 0.133345
+H	 1.6556939702	 1.6222763195	-0.2707048943	 0.107576
+H	 0.020174067	 1.1592113585	-0.779409061	 0.133801
+H	 3.1512420151	 0.358962793	-1.2676215715	 0.289128
+H	 0.204139562	-3.7070717247	-3.0122188055	 0.200419
+19
+0 3611	2.8738292	1.0418712	0.9057512	2.5177	77.05	-0.249	0.04775	0.29675	1338.0336	0.154921	-422.512984	-422.503482	-422.502538	-422.547378	35.611
+O	 2.6077951282	 3.6586528764	 0.7798570603	-0.443847
+C	 2.7775545195	 2.5438088508	-0.0629911615	 0.152054
+C	 4.1960094023	 2.4409811947	-0.6998030362	-0.260505
+C	 4.590947161	 1.4736540767	 0.4375406648	 0.093005
+O	 5.1842650501	 2.2484459058	 1.4755194895	-0.440947
+C	 3.0764516526	 1.2111328397	 0.7005760062	-0.05131
+C	 2.5396737083	-0.0602467655	 0.0239623237	-0.38773
+C	 1.0869252138	-0.1667888197	 0.0914209795	 0.301674
+C	-0.1112346793	-0.2301934153	 0.1611247892	-0.43513
+H	 3.3893475071	 3.6965745268	 1.3466391738	 0.281255
+H	 1.9193217073	 2.5277141518	-0.7386432143	 0.091543
+H	 4.1911984219	 1.9529915905	-1.6774600543	 0.105698
+H	 4.7714820985	 3.3670184967	-0.7581195214	 0.113064
+H	 5.2164540853	 0.6066657743	 0.1846563842	 0.064036
+H	 5.2054499429	 1.7109450454	 2.2750340187	 0.285011
+H	 2.7806654409	 1.2288256271	 1.7543183856	 0.076683
+H	 2.8555510866	-0.0861069359	-1.0276426987	 0.130087
+H	 2.9958608129	-0.9419652502	 0.4938789627	 0.128179
+H	-1.1696212898	-0.2917839401	 0.2185006682	 0.19718
+19
+0 3612	2.2309648	1.463772	0.9277458	0.2467	80.38	-0.2209	-0.03661	0.18429	1240.8535	0.157712	-422.566113	-422.557393	-422.556449	-422.599549	33.386
+O	 0.3628870334	 1.1035704724	 0.0607683503	-0.442003
+C	-0.7212192178	 0.5306980799	 0.7911349893	 0.059261
+C	-0.2084593286	-0.2956724205	 1.9786381458	-0.250912
+C	-1.2614489053	-0.6558115759	 3.0329316717	 0.066526
+O	-0.6326606765	-1.2652428813	 4.1649694464	-0.431537
+C	-2.4043946608	-1.5195357088	 2.5652904152	-0.109202
+C	-2.8419572197	-1.7673822065	 1.3224051421	-0.075584
+C	-2.3871239661	-1.2418068197	 0.0352374943	-0.08576
+C	-1.5031888201	-0.2690094148	-0.2145202723	-0.058545
+H	 0.8727706411	 1.6472440585	 0.6694302004	 0.281902
+H	-1.3724014797	 1.3368439711	 1.1780439586	 0.081588
+H	 0.2668865447	-1.207670539	 1.5986104348	 0.104181
+H	 0.5675197333	 0.2785888977	 2.4984402363	 0.095269
+H	-1.6785880986	 0.2747437659	 3.4437698292	 0.099989
+H	-0.3193165678	-2.1325396992	 3.8835944797	 0.277778
+H	-2.9202707869	-2.0030069953	 3.3924361455	 0.098887
+H	-3.683020841	-2.453253114	 1.2417177694	 0.090884
+H	-2.8697027677	-1.6968817597	-0.8263377485	 0.090476
+H	-1.300714286	 0.0124406992	-1.2437923682	 0.106802
+19
+0 3613	2.4894666	1.2233906	0.9562258	3.4279	76.94	-0.2499	-0.03798	0.21192	1279.9306	0.153999	-422.567625	-422.557949	-422.557005	-422.603125	34.065
+C	-0.4106605598	 0.5786306292	 2.3564552824	-0.413973
+C	 1.0707247958	 0.8369260058	 2.1395067103	 0.063064
+C	 2.0761623714	 0.4149233157	 3.2454563661	-0.287399
+C	 3.0548386349	-0.1080128891	 2.1525302979	 0.110021
+C	 1.8392234855	-0.072841808	 1.1440079617	-0.291958
+C	 4.1133828062	 0.8925409203	 1.7386606075	 0.115517
+O	 4.1768374318	 2.0219342005	 2.1542898718	-0.256763
+C	 3.6352507348	-1.4842090774	 2.3626979744	 0.112102
+O	 4.7943570126	-1.7821336157	 2.2256921255	-0.250687
+H	-0.8038563775	 1.2000244718	 3.1683285192	 0.124097
+H	-0.9899864442	 0.804759766	 1.4545162622	 0.120671
+H	-0.5951945125	-0.4696961263	 2.6187195015	 0.111456
+H	 1.2371347708	 1.8871160808	 1.8821876566	 0.098236
+H	 2.48375928	 1.1991610828	 3.8840435192	 0.133802
+H	 1.6910099892	-0.4032628618	 3.8630905293	 0.10118
+H	 2.0495574	 0.3047147309	 0.1399566769	 0.119547
+H	 1.3843360492	-1.0657586763	 1.0553461204	 0.110256
+H	 4.8263189572	 0.5149542144	 0.9778677673	 0.103743
+H	 2.8763515547	-2.2448189038	 2.66359404	 0.077088
+19
+0 3614	3.4539103	0.923663	0.8199398	1.4801	77.6	-0.24664	-0.09292	0.15372	1443.2118	0.15478	-422.567016	-422.557432	-422.556487	-422.604391	33.545
+C	-0.7698923474	 4.459867801	 2.8049230359	-0.408539
+C	-1.357292266	 3.6184159772	 1.6836517449	 0.058186
+C	-1.2401031841	 2.0708797581	 1.7729396901	-0.248749
+C	-0.9425713057	 2.0501715033	 0.2281756958	-0.081256
+C	-0.6151614986	 3.5596270281	 0.318720785	-0.26195
+C	 0.1443041617	 1.1098520566	-0.1961204357	 0.271202
+O	 1.3257749406	 1.3765025161	-0.2267826169	-0.287153
+C	-0.2698902893	-0.3205944586	-0.5769175204	 0.090011
+O	-1.411278106	-0.6985281551	-0.6135796224	-0.219219
+H	 0.2790339941	 4.1974725905	 2.9830435292	 0.117245
+H	-0.8098368661	 5.5273295082	 2.5610559831	 0.117995
+H	-1.3165986327	 4.3124162617	 3.7430911902	 0.116106
+H	-2.4056550423	 3.892211694	 1.520352231	 0.076542
+H	-0.359719405	 1.7698525981	 2.3496536126	 0.111271
+H	-2.1051347473	 1.5002627866	 2.1152860349	 0.115575
+H	-1.8581334631	 1.8279633134	-0.3236892603	 0.102226
+H	 0.463008393	 3.7051788664	 0.4323264864	 0.121537
+H	-0.9784271954	 4.1976158643	-0.4898655147	 0.102933
+H	 0.5990254395	-0.9681222399	-0.8215312986	 0.106037
+19
+0 3615	3.5845656	0.9921513	0.837977	4.0897	76.96	-0.23924	-0.02135	0.21789	1397.3471	0.155157	-422.538509	-422.529289	-422.528344	-422.573422	32.861
+C	-0.9800778784	-2.402930845	 0.9720696253	-0.407878
+C	-0.9628643557	-1.1359824748	 0.1300356166	-0.083355
+C	-2.0907411382	-0.062868594	 0.2704224628	-0.280438
+C	-1.0254606653	 1.0825491313	 0.2422352754	-0.118999
+C	-1.1335546692	 2.2273152307	 1.2097243001	 0.078404
+C	-1.837294224	 3.471205761	 0.8644411423	-0.183414
+O	-0.4118239663	 3.4164985013	 0.8891029341	-0.22718
+C	 0.0224521718	-0.0203603733	 0.5179031936	 0.375119
+O	 1.1047842806	-0.0197761274	 1.0280531995	-0.297227
+H	-1.7791004855	-3.0799984155	 0.6543612134	 0.120361
+H	-0.0274681842	-2.9336670946	 0.8850163476	 0.137607
+H	-1.1337257365	-2.1683325437	 2.0303892172	 0.121421
+H	-0.8153879544	-1.3794871998	-0.9302796829	 0.104836
+H	-2.8505888392	-0.0371461125	-0.5112432964	 0.111238
+H	-2.5842241983	-0.1280175023	 1.244980194	 0.112575
+H	-0.893549358	 1.4768574207	-0.7715926461	 0.109469
+H	-1.080975014	 1.950098876	 2.2638205818	 0.098892
+H	-2.2853802486	 3.5774758702	-0.1230415438	 0.111284
+H	-2.2990361967	 4.0676665018	 1.6500336653	 0.117287
+19
+0 3616	3.0453068	1.1018014	0.9166889	1.0239	77.35	-0.24629	-0.02906	0.21723	1332.4643	0.155191	-422.540131	-422.530982	-422.530038	-422.574806	32.975
+C	-1.2327238383	-2.1377613187	-1.1861075348	-0.401722
+C	-0.9880050511	-1.1523193464	-0.0576471056	 0.033875
+O	-1.9099024306	-0.0339760397	-0.0397081279	-0.315693
+C	-0.8667458628	 0.9774226616	-0.0770419247	 0.007845
+C	-0.9958638256	 1.9645155616	-1.1962585551	 0.011802
+C	-1.7923967821	 3.2322026157	-0.9946901993	-0.269855
+C	-0.2923944904	 3.2969007851	-1.086091444	-0.262281
+C	 0.1708191141	-0.1552705803	-0.2067346087	 0.308908
+O	 1.346013186	-0.2272473025	-0.3981697623	-0.278928
+H	-0.4558809446	-2.9085500463	-1.1804665137	 0.135026
+H	-2.2049370868	-2.6230607858	-1.0606581323	 0.135089
+H	-1.2199344238	-1.633871046	-2.1564778244	 0.126484
+H	-0.9714864874	-1.668095082	 0.9140261846	 0.10299
+H	-0.7885297907	 1.5022074881	 0.8878903441	 0.096145
+H	-1.0384609401	 1.5163182444	-2.1843156358	 0.090016
+H	-2.378676957	 3.596406144	-1.8304598499	 0.119273
+H	-2.253219032	 3.3893318155	-0.0253805143	 0.119714
+H	 0.1585799478	 3.7023986498	-1.9840963165	 0.120896
+H	 0.2672334456	 3.5018683618	-0.1797319593	 0.120416
+19
+0 3617	3.7423743	0.9820287	0.8337083	2.3257	76.75	-0.24353	-0.02577	0.21776	1388.0429	0.155707	-422.545158	-422.535988	-422.535044	-422.579786	33.315
+O	-1.1395401652	-2.5323309494	 0.2756668653	-0.436555
+C	-1.1024645807	-1.2447588029	-0.2574057017	 0.072013
+C	-2.168049602	-0.1611039249	 0.1362469952	-0.30144
+C	-1.0381861488	 0.9278504014	 0.1884368846	-0.109807
+C	-1.0312906155	 1.9782828172	 1.2607668329	 0.027375
+C	-0.2171416948	 3.2366589607	 1.0917407856	-0.262541
+C	-1.7217203845	 3.3037879316	 1.0404576327	-0.278398
+C	-0.0825995198	-0.2697902954	 0.3335878974	 0.322359
+O	 0.8854302453	-0.4831441199	 1.0117366698	-0.313461
+H	-0.4843698177	-2.5607517214	 0.9850089556	 0.295185
+H	-1.0254044052	-1.297159975	-1.3515465155	 0.105521
+H	-2.9824879387	 0.0009540108	-0.569639201	 0.11463
+H	-2.5699870356	-0.3633935269	 1.132127865	 0.120128
+H	-0.9199432547	 1.3843979774	-0.8016997188	 0.096693
+H	-1.0768091771	 1.5765103555	 2.2693859977	 0.088479
+H	 0.2904732907	 3.635796868	 1.9622532762	 0.119094
+H	 0.3304234684	 3.3644452766	 0.1638284447	 0.113733
+H	-2.2484998808	 3.7511596308	 1.8758502393	 0.115975
+H	-2.1911449631	 3.4768817357	 0.0775157549	 0.111016
+19
+0 3618	2.6603683	1.1405079	0.9247513	3.1651	80.63	-0.25287	-0.06048	0.19238999999999998	1305.7877	0.156013	-422.588878	-422.579677	-422.578733	-422.623044	33.668
+C	-2.8529049221	 0.9438663433	 1.4208372945	-0.400841
+C	-2.1857177905	 1.0788241658	 0.0390678726	-0.046963
+C	-0.9861085511	 0.174335445	-0.093219484	-0.168749
+C	 0.1710653979	 0.8537539875	-0.035518917	 0.231546
+C	-0.0682968325	 2.3386586374	 0.1226581257	-0.341271
+C	-1.5712191652	 2.4888854417	-0.2250251833	 0.108985
+O	-1.7641277205	 2.8974884307	-1.5712833068	-0.434508
+C	 1.4980000266	 0.2350335618	-0.0901979264	 0.061917
+O	 2.5399559747	 0.8489617085	-0.0192849237	-0.267447
+H	-3.2051121196	-0.0780769531	 1.5922692375	 0.120723
+H	-2.1512321596	 1.1927610374	 2.2237625368	 0.124734
+H	-3.7135825228	 1.6154158596	 1.4980070684	 0.127019
+H	-2.9389615636	 0.87561152	-0.7317337946	 0.091014
+H	-1.0621347077	-0.9056827419	-0.1812079168	 0.108893
+H	 0.1553554641	 2.658239563	 1.1477861461	 0.121799
+H	 0.5518163653	 2.9526937092	-0.5364276228	 0.128842
+H	-2.0625197333	 3.2595857875	 0.3741204537	 0.087339
+H	-1.2909497749	 2.2778850719	-2.1383728242	 0.279742
+H	 1.4882827547	-0.872165075	-0.2070664358	 0.067226
+19
+0 3619	3.0456997	1.0467045	0.8150986	3.4806	80.75	-0.24993	-0.05878	0.19115000000000001	1390.9183	0.155788	-422.587934	-422.57862	-422.577676	-422.622147	33.868
+C	-3.2325749152	-1.4432267711	 0.7895173953	-0.417948
+C	-1.948883322	-1.4472771322	-0.0347835173	 0.031755
+C	-0.9729152352	-0.2747970211	 0.237735005	-0.337958
+C	 0.379714719	-0.8822008685	-0.0596135284	 0.237462
+C	 1.6073055027	-0.0991224893	-0.2313900122	 0.076112
+O	 1.6628282219	 1.1073251803	-0.1394509329	-0.269585
+C	 0.3160505978	-2.219380635	-0.1252819969	-0.203711
+C	-1.0871502825	-2.7208440889	 0.1327652313	 0.082289
+O	-1.5449049338	-3.7170887164	-0.7715036023	-0.429589
+H	-3.0135799552	-1.4601309787	 1.8636565778	 0.111472
+H	-3.8318039666	-0.5498637287	 0.5871114838	 0.118045
+H	-3.8447328668	-2.3192931966	 0.5536798834	 0.126671
+H	-2.2080274347	-1.4282555153	-1.1007061616	 0.097409
+H	-1.1751541206	 0.6124910745	-0.3685357961	 0.124745
+H	-1.022226802	 0.0503516449	 1.2858983517	 0.11525
+H	 2.5139002487	-0.7021516955	-0.463565555	 0.067298
+H	 1.1582959486	-2.880339878	-0.3077381819	 0.107201
+H	-1.1553637592	-3.0959428471	 1.1695297461	 0.077213
+H	-1.1786596449	-4.5661652777	-0.5062728496	 0.285869
+19
+0 3620	2.2798246	1.323442	0.9243325	2.8835	76.74	-0.24636	-0.03684	0.20951999999999998	1284.2971	0.155644	-422.606008	-422.59695	-422.596006	-422.640379	32.886
+C	-2.5319463036	-1.4714729328	-2.1065639331	-0.402949
+C	-2.0148561598	-0.7522790851	-0.8633372851	 0.017069
+C	-1.9716746721	 0.7888588383	-1.001626996	-0.236391
+C	-1.0053600979	 1.2685286035	 0.0848608767	-0.202903
+C	-0.1513358397	 2.473785441	-0.2628842802	 0.144337
+O	-0.2276711136	 3.0811639005	-1.2992278143	-0.237562
+C	-0.0995250406	 0.0474165086	 0.3997588175	 0.381961
+O	 0.8054370009	 0.0501817474	 1.1913618328	-0.312176
+C	-0.5749626793	-1.1160520273	-0.4626735731	-0.320297
+H	-2.5504517671	-2.5567101041	-1.9633690073	 0.117723
+H	-3.549386347	-1.1496752956	-2.3522009071	 0.119046
+H	-1.8959825677	-1.2577316668	-2.973344152	 0.1191
+H	-2.670500988	-1.0003527696	-0.0169548934	 0.08114
+H	-1.5705215252	 1.073146561	-1.9811360871	 0.125161
+H	-2.9627008652	 1.2416661837	-0.9202580251	 0.109977
+H	-1.5089995752	 1.5074711386	 1.0327466297	 0.126619
+H	 0.5833433797	 2.746123477	 0.5228498549	 0.107111
+H	 0.0713102433	-1.1442154273	-1.353063175	 0.133411
+H	-0.454673772	-2.0693053908	 0.0568150772	 0.129621
+19
+0 3621	2.2010574	1.4156455	1.0637824	3.2405	78.75	-0.2364	-0.02591	0.21049	1196.2253	0.155496	-422.586901	-422.577516	-422.576572	-422.621458	33.96
+C	 1.3907898252	 0.7968359633	-0.3098717721	-0.496154
+C	 0.0324630907	 0.2463891952	-0.0158606537	 0.316202
+C	-1.1403545824	 0.8852111761	-0.0345067203	-0.165208
+C	-2.3017418473	-0.026004413	 0.2634481396	 0.070064
+O	-2.9735960562	-0.2981961655	-0.9729769675	-0.43385
+C	-1.6039123754	-1.2756880543	 0.8571473899	-0.274414
+C	-0.1597317053	-1.2323232521	 0.3113463515	-0.157996
+C	-0.0007466998	-2.016437504	-0.9866117732	 0.151791
+O	 0.9957826599	-2.6117763121	-1.307017498	-0.25933
+H	 2.0396840532	 0.7271198636	 0.5721635194	 0.132049
+H	 1.8834823976	 0.2193073259	-1.1008049973	 0.148446
+H	 1.3438386531	 1.8437574169	-0.6196983715	 0.127322
+H	-1.276355611	 1.9304338705	-0.2879653521	 0.097276
+H	-3.0142587237	 0.4163268721	 0.9741047425	 0.068421
+H	-3.7938569538	-0.7591045369	-0.7670559497	 0.281352
+H	-1.5738823992	-1.2024394195	 1.9485034633	 0.110061
+H	-2.1403601543	-2.1951756488	 0.6007322316	 0.098068
+H	 0.5908263338	-1.6023123616	 1.0169138246	 0.088381
+H	-0.8912059551	-1.9573751559	-1.651074927	 0.097516
+19
+0 3622	2.8894687	1.2269488	0.9338533	2.7625	79.35	-0.23075	-0.03203	0.19872	1280.6453	0.154334	-422.578482	-422.568932	-422.567988	-422.613188	34.016
+C	-2.3290104843	-2.0205399384	 1.4969961298	-0.387898
+C	-1.7314546523	-1.3150814546	 0.2802325795	 0.089552
+O	-2.3148153161	-0.0055029112	 0.1395243275	-0.289433
+C	-1.3069854397	 0.9877108617	 0.1010214601	-0.051616
+C	-1.3192791677	 1.6910658176	-1.2572702281	 0.129197
+O	-0.7474365446	 2.7249154097	-1.4850486298	-0.244243
+C	 0.0086712933	 0.2548668502	 0.3039666939	 0.291481
+C	 1.31070495	 0.9787748828	 0.399575549	-0.494948
+C	-0.2544229058	-1.0479312765	 0.3727596406	-0.214598
+H	-1.9365759795	-3.0394160529	 1.581146306	 0.113807
+H	-2.0873638523	-1.4747468716	 2.4136324383	 0.121026
+H	-3.4168145112	-2.0784661326	 1.4003462007	 0.128183
+H	-1.9775651571	-1.8996899533	-0.6208762667	 0.08681
+H	-1.4785744351	 1.7507972634	 0.8762008249	 0.108618
+H	-1.8926383206	 1.1350615337	-2.0328834581	 0.092063
+H	 1.3371244498	 1.6148480215	 1.293185423	 0.135313
+H	 2.1501215285	 0.2812438221	 0.4518341451	 0.126702
+H	 1.4557819209	 1.645016507	-0.4572635119	 0.154485
+H	 0.4744240637	-1.8369635486	 0.5138795562	 0.105499
+19
+0 3623	2.1539066	1.5508284	1.2442602	3.3767	75.71	-0.25113	-0.02433	0.22680000000000003	1108.0282	0.154858	-422.533695	-422.524599	-422.523655	-422.568071	32.942
+C	 1.973375947	-0.98898713	-0.7699140836	-0.396674
+C	 1.335865258	 0.0073961375	 0.1951816168	-0.088049
+C	 1.7617199618	-0.142918866	 1.693596505	-0.250718
+C	 2.6019174617	 1.1587117287	 1.6051392626	-0.213648
+C	 4.1021271899	 0.9709872681	 1.5583492782	 0.163493
+O	 4.6652727011	-0.0912847242	 1.6385536142	-0.242788
+C	 1.9892938892	 1.3978589177	 0.2034554236	 0.447046
+C	 1.538013609	 2.6521922266	-0.3975767791	-0.262165
+O	 2.6987304728	 1.961470803	-0.8860382023	-0.264403
+H	 1.5369059854	-1.9836489465	-0.6339553467	 0.115109
+H	 1.8175822163	-0.683283368	-1.8088048747	 0.123567
+H	 3.0512249949	-1.0675139842	-0.5998640808	 0.139675
+H	 0.2527921429	 0.0407125586	 0.0409770498	 0.075753
+H	 0.9327895672	-0.0746426166	 2.3995529962	 0.104132
+H	 2.3604775036	-1.0281311806	 1.914082183	 0.129824
+H	 2.37874066	 1.9500911853	 2.3293496269	 0.093459
+H	 4.676446707	 1.9129726495	 1.4226887196	 0.089845
+H	 0.6802464275	 2.64952829	-1.0692930118	 0.120259
+H	 1.7350201047	 3.6003732912	 0.1019266031	 0.116284
+19
+0 3624	2.1938913	1.5023998	1.1253281	2.6274	75.77	-0.24242	-0.03229	0.21012999999999998	1157.1889	0.154337	-422.531893	-422.522647	-422.521703	-422.5666	33.341
+C	 2.0343854776	 1.2642498151	-0.287204565	-0.401045
+C	 1.499609983	-0.110321801	 0.0577799244	 0.089444
+O	 2.2434663397	-0.7379427711	 1.1420034992	-0.317527
+C	 2.5421314103	-1.9032315029	 0.3558376331	-0.01619
+C	 4.0308393519	-2.1249195659	 0.1859294775	 0.129664
+O	 4.4958650378	-3.0683298142	-0.4014233553	-0.248881
+C	 1.828546865	-1.2929162385	-0.8588747157	 0.265083
+C	 0.9750918679	-1.979288124	-1.8757568804	-0.324576
+C	 2.2601195748	-1.3024270285	-2.2945564954	-0.328309
+H	 1.9449416093	 1.928712057	 0.5777690955	 0.131826
+H	 3.0871447761	 1.2141975826	-0.5798192153	 0.121619
+H	 1.4617899785	 1.7033623877	-1.1115155764	 0.118352
+H	 0.4340811014	-0.0520317514	 0.3203526499	 0.081861
+H	 2.0786156952	-2.8166185953	 0.7531907282	 0.105534
+H	 4.6604902577	-1.3164170438	 0.62170411	 0.090454
+H	 0.9471195699	-3.0640591267	-1.8683930004	 0.126421
+H	 0.0349450872	-1.5077384493	-2.1456208664	 0.11718
+H	 3.1024720194	-1.9320730749	-2.5607947904	 0.140173
+H	 2.1946318074	-0.3748136248	-2.8537827274	 0.118917
+19
+0 3625	2.247795	1.448226	1.1165261	1.9439	76.16	-0.25186	-0.02884	0.22301999999999997	1153.4221	0.155494	-422.539714	-422.530684	-422.529739	-422.574042	33.283
+O	 3.5620356141	 1.6261527437	-3.2647651428	-0.427471
+C	 2.3364140757	 1.7291641884	-2.5891527989	 0.088913
+C	 1.6578820352	 0.4494643708	-2.0314487224	-0.286988
+C	 1.3134806394	 1.2104462101	-0.7247122948	-0.167688
+C	 1.633409001	 0.529268838	 0.5791681695	 0.139821
+O	 2.282087193	-0.4819784332	 0.6831555142	-0.244599
+C	 2.3118961025	 2.319102436	-1.1670054507	 0.300349
+C	 2.4251485591	 3.7480714656	-0.7429521928	-0.328975
+C	 3.5435254959	 2.7781749912	-0.4362500702	-0.32254
+H	 4.147551426	 1.0787850187	-2.7293856342	 0.282455
+H	 1.6767310477	 2.2835619686	-3.2645619603	 0.093131
+H	 0.8291479787	 0.0264267762	-2.6014567836	 0.108267
+H	 2.3880024169	-0.3370419431	-1.8185358215	 0.122172
+H	 0.2885046533	 1.5958620773	-0.6907172124	 0.0875
+H	 1.2504963383	 1.0502212141	 1.486933627	 0.076887
+H	 2.5910438592	 4.4912077858	-1.5170265931	 0.122386
+H	 1.8081996549	 4.0918807189	 0.0815654436	 0.113667
+H	 4.4541411375	 2.8607304793	-1.0211736934	 0.121165
+H	 3.6970166714	 2.4696660636	 0.5922629767	 0.121548
+19
+0 3626	2.0163577	1.3017324	0.9603182	2.3576	77.58	-0.25346	-0.03528	0.21818	1288.3782	0.154195	-422.569022	-422.559332	-422.558387	-422.604751	33.586
+C	 0.9836590305	 1.1965970557	-0.0323934777	-0.416211
+C	 1.0488334126	-0.3210338582	 0.026937358	 0.033005
+C	 1.7862174293	-1.0758303573	-1.1159894652	-0.265303
+C	 2.4546206939	-2.0001330894	-0.0372838831	-0.107343
+C	 3.9283404923	-2.2365594095	-0.2061054672	 0.139264
+O	 4.7876517911	-1.6923153178	 0.4416542001	-0.24327
+C	 2.0023995295	-0.9806798159	 1.0539721887	-0.093274
+C	 1.4169621957	-1.5727286627	 2.3041932181	 0.127725
+O	 0.245479981	-1.5470792371	 2.5905150082	-0.248971
+H	 0.543089058	 1.6041482413	 0.8835060286	 0.129639
+H	 1.9820750265	 1.6332227568	-0.149616296	 0.115325
+H	 0.3703859013	 1.5322903141	-0.8757652505	 0.118842
+H	 0.0462005996	-0.7346482469	 0.1710111053	 0.098407
+H	 1.1773292749	-1.5715943823	-1.8740415337	 0.11437
+H	 2.5259476744	-0.4417003959	-1.6145162341	 0.114446
+H	 1.9352065653	-2.9627544787	 0.0236074348	 0.102062
+H	 4.1920961726	-2.9470406883	-1.0225570739	 0.083821
+H	 2.8645602114	-0.3572746769	 1.3204443658	 0.111595
+H	 2.15571509	-2.080621801	 2.9658708238	 0.085872
+19
+0 3627	2.4663197	1.3536599	1.056117	2.7842	74.94	-0.25257	-0.02957	0.22300000000000003	1182.4923	0.156328	-422.563403	-422.554721	-422.553776	-422.59756	31.793
+C	 1.839518606	-0.8571578621	-0.8367030226	-0.41143
+C	 1.2634671465	 0.0556343531	 0.2536223327	-0.011001
+C	 1.5958294144	-0.3958917206	 1.7071536746	-0.271264
+C	 2.8043656542	 0.4589029601	 2.2094773293	-0.100569
+C	 4.1256979763	-0.2710851792	 2.0757781711	 0.146619
+O	 4.9288715543	-0.3966086115	 2.9635200763	-0.245152
+C	 2.7638797986	 1.6863457536	 1.3045287531	 0.024126
+O	 1.4702229694	 2.2961217192	 1.2676386939	-0.267335
+C	 1.8539786378	 1.4511908411	 0.1753657843	 0.057484
+H	 1.4290749911	-1.8678284622	-0.7528037718	 0.123994
+H	 1.5959825215	-0.4798440848	-1.835574101	 0.120917
+H	 2.9304512729	-0.9348631934	-0.7706541933	 0.122213
+H	 0.1763020682	 0.1049281695	 0.1238801784	 0.090328
+H	 0.7462763236	-0.2027760757	 2.3633776305	 0.128409
+H	 1.8044001694	-1.4690714171	 1.7587456992	 0.108547
+H	 2.6986330902	 0.7407277964	 3.2608357731	 0.105124
+H	 4.3203812971	-0.7064792838	 1.0676333279	 0.076054
+H	 3.6059311172	 2.3731083147	 1.2658498416	 0.106885
+H	 1.9670486312	 1.9519438227	-0.7839122874	 0.096051
+19
+0 3628	2.301316	1.5784716	1.2077492	1.9954	74.79	-0.23983	-0.02902	0.21081	1099.4697	0.156242	-422.562511	-422.554018	-422.553074	-422.595884	31.777
+C	 1.5062522712	 0.9423063904	 0.2027817087	-0.406001
+C	 1.0701417341	-0.5178279328	 0.0963878563	 0.106076
+O	 1.578546092	-1.3070331651	 1.1926372691	-0.282162
+C	 2.7727402753	-1.9731763774	 0.7923100461	-0.002895
+C	 4.0117895112	-1.2031771971	 1.2488563163	 0.136023
+O	 5.0817676087	-1.2444499909	 0.6990818816	-0.246011
+C	 2.6990482343	-2.1287744876	-0.711636026	-0.04398
+C	 1.4086599534	-2.6922221001	-1.2435583339	-0.328051
+C	 1.5934526482	-1.1995346439	-1.157531593	-0.037723
+H	 1.2213578588	 1.3527178417	 1.1751049671	 0.126049
+H	 2.5907273024	 1.0430168956	 0.0863625403	 0.125277
+H	 1.026844622	 1.5421367173	-0.5782988578	 0.118028
+H	-0.0216967624	-0.5797787777	 0.1798303831	 0.086891
+H	 2.7906264916	-2.9352174929	 1.3286402777	 0.110483
+H	 3.8385867707	-0.5975248385	 2.1670005008	 0.090045
+H	 3.6290148712	-2.2349570268	-1.2540330447	 0.114614
+H	 1.4321814058	-3.1420342749	-2.2297771696	 0.116362
+H	 0.7260645892	-3.1658140641	-0.5440477927	 0.122695
+H	 1.6787868922	-0.6134375453	-2.0647678194	 0.094279
+19
+0 3629	2.4314688	1.4283916	1.1058517	4.1333	75.21	-0.23714	-0.01271	0.22443	1141.7054	0.157296	-422.57061	-422.562168	-422.561224	-422.603901	31.917
+O	 1.6247508815	 0.8871271611	-2.9095196671	-0.43231
+C	 1.2884825456	 2.1451754116	-2.3233452386	 0.128222
+C	 0.5018381702	 1.8445296724	-1.0346405599	-0.276753
+C	 1.5591725434	 1.7193282704	 0.1015109261	-0.079669
+C	 2.0464293182	 0.2881132358	 0.2517443931	 0.145069
+O	 2.0406262614	-0.3231109045	 1.2905098659	-0.258408
+C	 2.7100882618	 2.6087045139	-0.3730320126	-0.031448
+C	 2.3506693978	 3.9936251816	-0.8534110932	-0.321498
+C	 2.5339185688	 2.8785880789	-1.8518065544	-0.054656
+H	 2.2237714547	 1.049091547	-3.6455912796	 0.28226
+H	 0.6889637409	 2.7379437348	-3.0299057688	 0.069645
+H	-0.1877685664	 2.66171271	-0.8093779768	 0.113502
+H	-0.0983720806	 0.9405303403	-1.1624309608	 0.125873
+H	 1.1578720859	 2.028330643	 1.0713499685	 0.087822
+H	 2.4217570966	-0.1665044006	-0.6901061307	 0.094458
+H	 3.6926903805	 2.4564470855	 0.0598565815	 0.095436
+H	 1.3561192655	 4.3835415718	-0.6633219055	 0.115406
+H	 3.131339781	 4.7448348421	-0.8092266884	 0.117978
+H	 3.3815779132	 2.9246942547	-2.5287192587	 0.079072
+19
+0 3630	2.7755009	1.108518	0.9450388	2.2036	79.44	-0.24403	-0.03225	0.21178	1298.678	0.155439	-422.586194	-422.576727	-422.575783	-422.621221	33.984
+C	 1.27854976	 0.8562451471	-0.2232160137	-0.494786
+C	-0.0008601493	 0.1290236614	 0.0413925276	 0.296319
+C	-0.1802544991	-1.1837061804	 0.2143373067	-0.200545
+C	-1.6279905049	-1.5726476503	 0.4348436253	-0.112985
+C	-2.3318761761	-0.1945644901	 0.5772542609	-0.287358
+C	-1.3235586738	 0.8716643379	 0.0767280395	 0.050061
+O	-1.6431696561	 1.4345218501	-1.1965020148	-0.429543
+C	-2.1357468324	-2.3587917977	-0.7639421876	 0.167736
+O	-2.4202919472	-3.5261248927	-0.7655012636	-0.245319
+H	 1.5099468651	 1.550163441	 0.594859471	 0.132219
+H	 2.122821921	 0.1722207984	-0.3399480068	 0.125523
+H	 1.1894838209	 1.4642127739	-1.1303794718	 0.141615
+H	 0.6074786697	-1.9294537619	 0.1816110673	 0.106728
+H	-1.758145676	-2.2105230069	 1.3145821095	 0.097675
+H	-3.268840663	-0.1229556115	 0.0166440013	 0.115616
+H	-2.5730994806	-0.0260656318	 1.6298944344	 0.11859
+H	-1.2952022614	 1.7405454213	 0.7431507853	 0.089423
+H	-1.5706650824	 0.7315844177	-1.8528617005	 0.274343
+H	-2.2128108944	-1.7441345456	-1.69585852	 0.054688
+19
+0 3631	3.0784157	1.1014597	0.8751898	3.6592	79.79	-0.23057	-0.02967	0.2009	1344.655	0.154357	-422.578195	-422.568619	-422.567674	-422.613133	34.001
+C	 0.2662185886	 2.0636306976	-0.7987287716	-0.395215
+C	-0.3548637536	 1.188853572	 0.2904420351	 0.044372
+O	-1.7860082315	 1.2103263395	 0.1725224906	-0.289594
+C	-2.3008078691	-0.1060603838	 0.0368296208	-0.00295
+C	-3.2151488874	-0.4302479254	 1.2199794181	 0.137703
+O	-4.1046380739	-1.23772234	 1.1843637898	-0.24282
+C	-1.0891933684	-1.0014191487	 0.0523333416	-0.231766
+C	 0.0155513619	-0.2771699964	 0.2168187823	 0.310714
+C	 1.4297934553	-0.7497617299	 0.3166877919	-0.497471
+H	 0.0536307847	 1.6533740136	-1.7905251968	 0.122273
+H	-0.1497378948	 3.0731718718	-0.7437822075	 0.131473
+H	 1.3513014286	 2.134438853	-0.6709747254	 0.114931
+H	-0.0802828614	 1.6062345215	 1.2735253609	 0.084765
+H	-2.8942465651	-0.1998109805	-0.8844342037	 0.10792
+H	-2.956461389	 0.1441368324	 2.1386724998	 0.083335
+H	-1.1596233906	-2.0777762566	-0.0372745497	 0.117507
+H	 1.8891717568	-0.4169405299	 1.2559319716	 0.133996
+H	 1.4906147567	-1.8397844268	 0.2754373316	 0.13359
+H	 2.0451938523	-0.3432143435	-0.4944676093	 0.137238
+19
+0 3632	2.8998548	1.3176013	1.1376659	4.0765	76.92	-0.24395	-0.03211	0.21184	1150.9803	0.156775	-422.593967	-422.585165	-422.58422	-422.627663	32.891
+C	 0.8743491944	 1.5720966143	-0.7492352864	-0.480296
+C	 1.3664776833	 0.1674146468	-0.4843329032	 0.398671
+O	 2.5015750408	-0.0510927631	-0.1142226947	-0.310979
+C	 0.35725037	-0.9743602694	-0.6754961851	-0.152443
+C	 1.0139692476	-2.2699152359	-1.2142308592	-0.264324
+C	 1.3902014489	-3.0974823369	 0.0420461038	 0.10097
+O	 2.7358346163	-2.9312061163	 0.454916707	-0.441737
+C	 0.4153415117	-2.5644031099	 1.0757354487	-0.077999
+C	-0.1368988263	-1.4128838092	 0.6971981356	-0.079668
+H	-0.0403025911	 1.7670697084	-0.177481876	 0.143984
+H	 1.6416605431	 2.3016821689	-0.4887909906	 0.14637
+H	 0.6092393476	 1.6755414502	-1.8081482132	 0.14775
+H	-0.4612314054	-0.6225286645	-1.3124468993	 0.078215
+H	 0.2714082951	-2.8121747815	-1.8070788735	 0.10401
+H	 1.8895663497	-2.0891633116	-1.8408587299	 0.113908
+H	 1.2735792751	-4.1717207011	-0.1338345548	 0.080904
+H	 2.9007899104	-1.9746709105	 0.4602379851	 0.28982
+H	 0.2663967292	-3.0484662776	 2.0341665662	 0.102365
+H	-0.8111893006	-0.8038703709	 1.2895473697	 0.10048
+19
+0 3633	3.566734	1.0881908	0.9701955	2.972	77.87	-0.22646	-0.01918	0.20728	1278.6799	0.154705	-422.583155	-422.573759	-422.572815	-422.618174	33.725
+C	-3.075040167	-2.7661030341	 2.32742361	-0.389021
+C	-2.1919027205	-2.6246506377	 1.0877703392	 0.085918
+O	-1.7146294162	-1.2721840608	 0.9727776542	-0.284183
+C	-0.2942386633	-1.2328617984	 0.9460944882	-0.020189
+C	 0.1363667225	-2.6746324781	 1.0564989166	-0.100662
+C	-0.9357691483	-3.4550430591	 1.1143497524	-0.097512
+C	 0.2638161355	-0.5955941163	-0.3433540442	 0.353179
+C	-0.6771064299	-0.487250065	-1.5210682919	-0.474626
+O	 1.4172147452	-0.2366824283	-0.3713606353	-0.304567
+H	-3.4905838609	-3.777430477	 2.3895810254	 0.114028
+H	-2.4975804073	-2.5682883003	 3.2350744293	 0.123792
+H	-3.905305112	-2.0561268768	 2.2792373619	 0.128542
+H	-2.7988009772	-2.8525673641	 0.1962317871	 0.08479
+H	 0.0879772272	-0.6249871453	 1.7797235007	 0.111284
+H	 1.1775810305	-2.966946402	 1.0652858064	 0.126495
+H	-0.9487303102	-4.5350111912	 1.1900252269	 0.111797
+H	-1.0753241586	-1.4756108641	-1.7756451613	 0.140925
+H	-1.5381061818	 0.1329796945	-1.2548268196	 0.154372
+H	-0.1482772877	-0.0641447261	-2.3757032959	 0.135636
+19
+0 3634	3.7667936	1.0364682	0.910316	1.4228	78.14	-0.23793	0.00982	0.24775	1323.8612	0.156132	-422.536895	-422.528245	-422.5273	-422.570945	31.78
+C	 1.7480981617	 1.406080352	 1.5421711572	-0.388629
+C	 3.0064650194	 1.1394075385	 0.7171637458	 0.091258
+O	 3.136770396	-0.2679164442	 0.4651355836	-0.287743
+C	 3.3010498252	-0.5227062059	-0.9294998338	 0.047368
+C	 3.1749764883	 0.8288487301	-1.582749707	-0.104342
+C	 3.0096455891	 1.7623338137	-0.6543282366	-0.101611
+C	 2.2531277988	-1.5202562051	-1.3867014943	 0.077816
+C	 2.5416221557	-2.9551075645	-1.4626699261	-0.175459
+O	 2.5110296005	-2.1482672338	-2.643545743	-0.238394
+H	 1.7829221292	 0.8362814923	 2.4748889764	 0.127486
+H	 1.6699688235	 2.46950766	 1.7918848592	 0.112532
+H	 0.8543377409	 1.1100605696	 0.9851264942	 0.118442
+H	 3.8834987857	 1.4730323152	 1.297410914	 0.082514
+H	 4.2921251963	-0.9680852035	-1.1194798891	 0.083694
+H	 3.2206239117	 0.9624804087	-2.6556425273	 0.120177
+H	 2.8968056394	 2.8274710487	-0.8139460502	 0.107704
+H	 1.221916066	-1.1984089366	-1.2354763778	 0.093167
+H	 3.5261037019	-3.3183537703	-1.1707169162	 0.117118
+H	 1.7305059907	-3.6749767747	-1.3680638391	 0.1169
+19
+0 3635	4.2274442	0.9112958	0.8032517	2.3892	77.43	-0.25246	0.00457	0.25703000000000004	1416.8452	0.157091	-422.54368	-422.535109	-422.534165	-422.577671	31.887
+O	 2.4217804022	 3.0010181423	-0.2009110668	-0.431619
+C	 3.293727821	 1.8812088941	-0.2705242664	 0.106828
+C	 2.9872472849	 0.9018404499	-1.4346480547	-0.265712
+C	 3.2522386553	-0.5243629379	-0.8830528346	-0.052213
+C	 3.2266673041	-0.307449637	 0.6175984722	-0.08184
+C	 3.2554269918	 0.9824873395	 0.9447706149	-0.12899
+C	 2.2615255569	-1.5623977841	-1.3600412128	 0.090031
+C	 2.6260459707	-2.972332973	-1.5489359047	-0.185702
+O	 2.4685975228	-2.0991401141	-2.6684276962	-0.238941
+H	 1.5348801541	 2.6644087658	-0.0297805277	 0.272777
+H	 4.2886424393	 2.3307292683	-0.3836063296	 0.096779
+H	 1.9246226859	 1.0048251269	-1.687521959	 0.09842
+H	 3.553930338	 1.1207944877	-2.3414208357	 0.114238
+H	 4.2492540094	-0.8694486043	-1.1916036285	 0.088004
+H	 3.223983011	-1.1360720468	 1.318434587	 0.098988
+H	 3.2856847757	 1.3866229215	 1.9507651358	 0.102694
+H	 1.2161102971	-1.335899344	-1.1366930246	 0.088604
+H	 3.6477426376	-3.294118077	-1.3489975613	 0.112513
+H	 1.8684694221	-3.7484023678	-1.4487983974	 0.11514
+19
+0 3636	3.4149477	1.090402	0.9438435	1.5748	77.06	-0.25021	0.04205	0.29225999999999996	1283.0133	0.154568	-422.512269	-422.50261	-422.501666	-422.547065	35.375
+C	 5.4067492048	 1.1997573205	-2.6789770462	-0.3959
+C	 4.5697703412	 2.0413718031	-1.7399513715	 0.138533
+O	 3.1741442599	 2.1240359486	-2.1443004712	-0.313537
+C	 2.7154540487	 1.7015138708	-0.8477600196	 0.112218
+C	 1.8010270949	 0.474781336	-0.9289772856	-0.368896
+C	 1.5045199411	-0.0466147412	 0.4003384993	 0.280453
+C	 1.3180160269	-0.4482694032	 1.5192212376	-0.455009
+C	 4.1688919184	 1.4565391405	-0.3636397083	 0.039954
+O	 4.5574609535	 0.1130901954	-0.2114120572	-0.427236
+H	 5.0426715289	 0.1717063435	-2.7143092156	 0.133498
+H	 5.3683260645	 1.6278003034	-3.6854028038	 0.122596
+H	 6.4506966982	 1.1860623104	-2.3497106136	 0.120307
+H	 4.990671556	 3.0521551057	-1.6524375429	 0.075529
+H	 2.2043302855	 2.5152891932	-0.3163204567	 0.080685
+H	 0.8775989993	 0.7496402818	-1.4516468134	 0.139604
+H	 2.3003149785	-0.2922579528	-1.528931023	 0.147578
+H	 1.1181846367	-0.8130243159	 2.4964896374	 0.202018
+H	 4.4709154022	 2.0613417275	 0.4998855143	 0.073147
+H	 4.0666904508	-0.2522692273	 0.5346346698	 0.294459
+19
+0 3637	3.2661814	0.9545234	0.793854	1.5522	77.22	-0.24234	0.05332	0.29566	1428.4646	0.154222	-422.516367	-422.506426	-422.505482	-422.551487	36.414
+O	 5.1429104386	-3.2443904674	-1.6976507244	-0.434343
+C	 4.3546303171	-2.1047515962	-1.9294268585	 0.112991
+C	 4.6306328478	-0.7733044337	-1.1800150185	-0.317725
+C	 3.095746658	-0.5233819382	-1.179071097	 0.021549
+C	 2.4712098551	 0.1430721783	 0.0515989526	-0.382547
+C	 1.0153245002	 0.2142159094	 0.0022925133	 0.312234
+C	-0.1839048311	 0.2706765789	-0.0498893059	-0.445612
+C	 2.8936340967	-2.0377474774	-1.4120957934	 0.096756
+O	 1.8340617909	-2.3778426309	-2.2656710387	-0.428813
+H	 5.1878826526	-3.3873909308	-0.7463051608	 0.276724
+H	 4.3572160922	-1.947790159	-3.0123597329	 0.101719
+H	 5.0044729364	-0.9610375945	-0.166034958	 0.091272
+H	 5.2767496155	-0.037028546	-1.6605065098	 0.111367
+H	 2.7924094699	 0.0083106812	-2.0856482243	 0.099763
+H	 2.7806338802	-0.403017532	 0.9533669872	 0.119911
+H	 2.8824713176	 1.1558612835	 0.1580836852	 0.130928
+H	-1.2433909374	 0.3162756961	-0.0984895571	 0.194433
+H	 2.8236414001	-2.5615528014	-0.4416089518	 0.052426
+H	 1.8385162295	-3.3331091201	-2.3868768473	 0.286967
+19
+0 3638	3.1339263	1.0267666	0.8511372	1.8744	77.01	-0.24574	-0.03074	0.215	1356.2535	0.155626	-422.604824	-422.595634	-422.59469	-422.639709	32.96
+C	-0.1874220317	 2.2124023826	-0.9435300717	-0.396458
+C	-1.0017383881	 1.3503828188	 0.0365826977	-0.093105
+C	-2.290318308	 0.7584556537	-0.5654123009	-0.253849
+C	-1.8985688211	-0.6610703974	-1.0716735974	-0.075301
+C	-0.8885897628	-1.1466437231	-0.0165939633	-0.347203
+C	-0.1739476846	 0.1233681719	 0.4570907355	 0.402834
+O	 0.8773664016	 0.1596567897	 1.0400852643	-0.314491
+C	-3.1019265701	-1.5653891729	-1.1819881066	 0.157813
+O	-3.5115348931	-2.0657505888	-2.1956961877	-0.245558
+H	 0.7687086335	 2.4898176695	-0.4925543124	 0.143375
+H	 0.0213721791	 1.6738879865	-1.8742783632	 0.122794
+H	-0.734109251	 3.1248336962	-1.1985219644	 0.122392
+H	-1.2062487614	 1.9458356555	 0.9323291903	 0.104649
+H	-3.0620337847	 0.6638094385	 0.2088462548	 0.106595
+H	-2.7095047172	 1.370397958	-1.3675963758	 0.119669
+H	-1.4315410618	-0.6012989433	-2.0588371234	 0.102742
+H	-1.4148443081	-1.5693407036	 0.8528307058	 0.132596
+H	-0.1806266704	-1.9012274544	-0.3640658851	 0.141908
+H	-3.61494131	-1.7395023373	-0.2035650166	 0.068599
+19
+0 3639	2.5281046	1.3790384	1.162388	0.852	76.67	-0.25829	0.02823	0.28652	1145.6535	0.155622	-422.534365	-422.525139	-422.524195	-422.568564	34.611
+C	 0.1247347527	 0.1562261326	-0.0028183166	-0.403048
+C	 1.6224028825	-0.0958581617	 0.088910715	 0.118102
+O	 1.8318332247	-1.2780144158	 0.8859208547	-0.268235
+C	 2.9196774001	-1.0611155827	 1.7773633591	-0.07601
+C	 2.8193850402	 0.4373539227	 2.1214111172	-0.256814
+C	 2.4407008858	 1.0460228484	 0.7585178901	 0.09371
+O	 3.5644412914	 1.4435919275	-0.0060780101	-0.440955
+C	 4.2112047941	-1.4133303237	 1.1624792109	 0.332072
+C	 5.2601455219	-1.6919089198	 0.642088628	-0.474904
+H	-0.289227586	 0.4061027757	 0.9796959855	 0.116644
+H	-0.0822867243	 0.9827885851	-0.6896561367	 0.120969
+H	-0.388991125	-0.7361682371	-0.3704677809	 0.129159
+H	 2.0380097292	-0.2594737388	-0.9143781175	 0.084647
+H	 2.7540460083	-1.7046465025	 2.6472017078	 0.113031
+H	 2.0104669893	 0.5729210109	 2.8452845329	 0.110984
+H	 3.7369277995	 0.8705310119	 2.5214992127	 0.121046
+H	 1.8354594604	 1.9488211987	 0.8709861263	 0.08995
+H	 4.154688744	 0.6832041197	-0.0845525018	 0.281849
+H	 6.1857299711	-1.958689401	 0.1935107536	 0.207802
+19
+0 3640	2.3874163	1.3639094	1.1135272	1.6062	76.64	-0.25745	0.03476	0.29221	1191.1123	0.154696	-422.529377	-422.519885	-422.518941	-422.564252	34.637
+C	 0.7746254671	 1.1924589717	 0.5423003444	-0.416319
+C	 1.1737582408	-0.2631396271	 0.685964103	 0.100749
+O	 2.4166604213	-0.3474155032	 1.3887514693	-0.245079
+C	 2.4575327743	-1.6502623817	 1.9138905122	-0.020512
+O	 1.13060457	-1.9889652798	 2.2790157093	-0.269093
+C	 0.2356463156	-1.1320943504	 1.55203768	 0.122242
+C	-0.7781959093	-1.9533151109	 0.7704483534	-0.404403
+C	 3.00377378	-2.6231318211	 0.9460687802	 0.349632
+C	 3.4662792203	-3.4158537732	 0.1703572348	-0.456284
+H	 0.6898836559	 1.6652706162	 1.5250828943	 0.129397
+H	 1.5185061924	 1.7389278507	-0.0432082696	 0.133136
+H	-0.18906903	 1.2725124064	 0.0294934903	 0.122258
+H	 1.2866841954	-0.7277663006	-0.3059304133	 0.081169
+H	 3.0798250196	-1.6304134611	 2.8154138597	 0.116483
+H	-0.280005014	-0.4969199486	 2.2859335635	 0.079377
+H	-1.3675392128	-2.5784095015	 1.4463439724	 0.130221
+H	-1.4668981637	-1.2962632096	 0.2276493211	 0.115285
+H	-0.2724420267	-2.6043242134	 0.0515609346	 0.131383
+H	 3.8759254938	-4.1180592228	-0.5134783597	 0.200357
+19
+0 3641	2.6985134	1.2207209	1.036412	2.0355	76.45	-0.257	0.03862	0.29562	1208.0308	0.15562	-422.540853	-422.531268	-422.530323	-422.575966	35.499
+O	-2.1808662174	 2.2081737138	-1.5633307121	-0.437126
+C	-2.4694761454	 2.7181339568	-0.2676539467	 0.10578
+C	-2.7575704979	 1.5967212184	 0.744837035	-0.276462
+C	-1.3506534974	 1.0831895485	 1.22162549	-0.163168
+C	-0.3244224178	 2.0983937086	 0.6157178585	-0.250327
+C	-1.1562886749	 3.3345335833	 0.2461666627	 0.133327
+O	-1.3798957902	 4.2188475971	 1.3361562294	-0.448586
+C	-1.0775919787	-0.2957953421	 0.8450288447	 0.319218
+C	-0.8551202266	-1.4346191005	 0.5293946594	-0.468392
+H	-2.9061730601	 1.636940527	-1.8336097852	 0.28633
+H	-3.2713986981	 3.4676948296	-0.3023735022	 0.069225
+H	-3.3236450473	 1.9934686794	 1.5944143857	 0.101558
+H	-3.360586309	 0.7955435373	 0.3104875401	 0.109715
+H	-1.3117891629	 1.1378917525	 2.3160455009	 0.102261
+H	 0.4844852457	 2.3410398741	 1.3084007709	 0.106744
+H	 0.1115601811	 1.6749837973	-0.2904483681	 0.135024
+H	-0.682984363	 3.9380982315	-0.5313980535	 0.09786
+H	-1.6719383418	 3.7074192431	 2.0973622355	 0.283129
+H	-0.6544177784	-2.4394904658	 0.2518392951	 0.193889
+19
+0 3642	3.2848672	0.871358	0.7528014	2.5453	78.35	-0.24321	-0.03304	0.21017000000000002	1518.5928	0.154089	-422.576471	-422.566698	-422.565753	-422.612573	33.921
+C	-4.5814781906	 1.9258031598	-1.4891953802	-0.406705
+C	-3.2886068903	 2.4486718453	-0.878768907	-0.0836
+C	-2.448994315	 1.5593726023	 0.096356575	-0.266376
+C	-1.1353026113	 1.9599805709	-0.6486803137	-0.121887
+C	-0.1021704754	 0.9010144913	-1.0363606061	-0.290906
+C	 0.7605270255	 0.5048159248	 0.1399998979	 0.159634
+O	 0.8751512909	-0.6130743786	 0.5699011279	-0.235226
+C	-2.038253292	 2.5054206839	-1.7724074564	 0.382716
+O	-1.8546449015	 2.7194167241	-2.9356661391	-0.30304
+H	-5.3703362021	 1.8477798976	-0.7347371002	 0.123233
+H	-4.9308052427	 2.5949721867	-2.2809286234	 0.137465
+H	-4.4346231621	 0.9348663111	-1.9305647145	 0.123743
+H	-3.4475244105	 3.4415012764	-0.4378793341	 0.106455
+H	-2.5051831311	 1.8085971252	 1.1564991828	 0.113358
+H	-2.6743017008	 0.4968957807	-0.0313024963	 0.12082
+H	-0.6444490185	 2.8024587245	-0.1427197159	 0.106507
+H	-0.579361722	 0.0066970653	-1.4468614497	 0.124366
+H	 0.5491600698	 1.3287118974	-1.8117804636	 0.138591
+H	 1.3002885699	 1.3601791513	 0.6131778866	 0.070852
+19
+0 3643	3.6744349	0.9643965	0.8446396	2.154	78.59	-0.25359	0.00832	0.26191	1394.7196	0.156786	-422.599807	-422.590915	-422.589971	-422.634542	32.149
+C	-4.8636416924	 1.7979789515	 0.3651784127	-0.397172
+C	-3.4585091942	 2.4016007783	 0.2586010293	-0.020918
+C	-2.3867846187	 1.4227781958	-0.2951297681	-0.250205
+C	-1.102851372	 1.7026919137	 0.5145955887	 0.102785
+O	-0.4266122192	 0.4818814752	 0.9294685063	-0.223737
+C	 0.3970637315	-0.0722924749	 0.0329634321	 0.182819
+O	 0.6127725538	 0.3236430412	-1.0807409434	-0.309041
+C	-1.5976679969	 2.4341463538	 1.7302186202	-0.110704
+C	-2.8615248194	 2.823830703	 1.5832829801	-0.066251
+H	-5.577634589	 2.5237693687	 0.7687947124	 0.114193
+H	-5.2297930863	 1.4812646905	-0.6168938547	 0.118297
+H	-4.8630790176	 0.9230053321	 1.0241740826	 0.119566
+H	-3.5206922186	 3.2836702479	-0.3959144207	 0.086872
+H	-2.6940712945	 0.3924269134	-0.0859967641	 0.112079
+H	-2.2296684157	 1.5111050488	-1.3713457531	 0.118261
+H	-0.373007569	 2.2843652822	-0.0576173707	 0.112102
+H	 0.8582495717	-0.9657996807	 0.4833056453	 0.107862
+H	-0.9529029372	 2.6411130044	 2.576088007	 0.104305
+H	-3.4208067064	 3.4101362251	 2.305399228	 0.098886
+19
+0 3644	3.9401535	0.8914096	0.7702474	3.8436	79.03	-0.23792	-0.01816	0.21975999999999998	1477.2314	0.155056	-422.572369	-422.563072	-422.562128	-422.607712	32.949
+C	-0.5285615376	 5.2543282716	 0.3947589289	-0.388423
+C	-0.1411857486	 4.1697415685	-0.6108514313	 0.088054
+O	-0.2175440983	 2.8760095677	 0.0085589685	-0.290642
+C	-1.0864855455	 2.0083844916	-0.7220335052	 0.059517
+C	-0.3153383113	 0.7549013266	-1.1905662517	-0.283007
+C	 0.2734192726	-0.0185163619	-0.0297926275	 0.154181
+O	 0.0806175568	-1.1906861816	 0.1735251064	-0.242766
+C	-1.6048782537	 2.8546726161	-1.8539577649	-0.099161
+C	-1.0578101876	 4.0624322204	-1.8007352356	-0.098069
+H	 0.1186839973	 5.1983329406	 1.2743034532	 0.128823
+H	-0.418094703	 6.2487424528	-0.0505432965	 0.113383
+H	-1.5664487644	 5.1268229903	 0.7155456595	 0.122443
+H	 0.8999711143	 4.3426527716	-0.9297271056	 0.085372
+H	-1.903171939	 1.6825830393	-0.057699318	 0.09676
+H	-0.9677881091	 0.0875906107	-1.761876071	 0.115285
+H	 0.5075285454	 1.0867503444	-1.8374603364	 0.120789
+H	 0.9137141335	 0.5881498365	 0.6451076489	 0.095433
+H	-2.3119898081	 2.4858895342	-2.5860345791	 0.111789
+H	-1.2283683138	 4.8846625407	-2.4843034327	 0.110239
+19
+0 3645	3.3826316	0.9456103	0.8107131	3.306	77.62	-0.24591	-0.02366	0.22225	1411.9609	0.1559	-422.579985	-422.570932	-422.569988	-422.614644	32.944
+O	-4.7868714382	 2.1192969741	 0.2800143382	-0.432986
+C	-3.4599448591	 2.6291398648	 0.246238612	 0.108907
+C	-2.3874367643	 1.5928903556	-0.1832792832	-0.254222
+C	-1.1340381459	 1.8813842387	 0.6842488295	-0.011562
+C	-0.3726037253	 0.6354966131	 1.1469342726	-0.312523
+C	 0.3461887736	-0.1072131618	 0.0439364771	 0.15661
+O	 0.3816985565	 0.2380217141	-1.1099424055	-0.234365
+C	-1.700888178	 2.7080626906	 1.8190736458	-0.085038
+C	-2.945242426	 3.1170458676	 1.5813941022	-0.135665
+H	-4.8124031791	 1.4335654022	 0.95690333	 0.271063
+H	-3.5168992146	 3.4590828329	-0.4697195793	 0.096861
+H	-2.7782385103	 0.5946374065	 0.0526549563	 0.087743
+H	-2.1742265578	 1.6079585483	-1.2525380008	 0.123533
+H	-0.4271107931	 2.4925139915	 0.1062670038	 0.100787
+H	 0.3884374934	 0.8903278529	 1.9012925711	 0.123527
+H	-1.0398350898	-0.0787772034	 1.6526204551	 0.121856
+H	 0.872791125	-1.0307740948	 0.3785010342	 0.080491
+H	-1.1139206595	 2.957890586	 2.6979335866	 0.094363
+H	-3.5433136375	 3.7543295211	 2.2235309044	 0.10062
+19
+0 3646	3.1326316	1.163283	0.8952072	2.7485	78.08	-0.25281	-0.02777	0.22504	1298.4098	0.155643	-422.575278	-422.566342	-422.565398	-422.609321	32.658
+C	 2.591223505	-0.5380734945	-1.1181511485	-0.398279
+C	 1.6867686976	-0.0007410757	-0.0119994935	 0.097555
+O	 2.1398731217	-0.5827301656	 1.2076680886	-0.283909
+C	 1.5914208125	 0.0212445117	 2.3625467769	 0.028338
+C	 2.0387824073	 1.4780307709	 2.5065241374	-0.256389
+C	 1.8761589329	 2.1784528222	 1.1845343499	-0.091614
+C	 1.6893663018	 1.5063718462	 0.0512190647	-0.059457
+C	 1.9815535081	-0.8572414461	 3.539735209	 0.138497
+O	 2.0526819325	-0.4679323836	 4.675809583	-0.247579
+H	 2.5777736918	-1.6311541198	-1.1160324419	 0.126118
+H	 2.2486647855	-0.1866495452	-2.0958052937	 0.116639
+H	 3.619693557	-0.199956938	-0.9641789749	 0.129242
+H	 0.6536905189	-0.3471451236	-0.2060391131	 0.076246
+H	 0.4851469814	-0.0062209289	 2.3092510837	 0.094305
+H	 1.4475088723	 1.9662770741	 3.288341662	 0.124155
+H	 3.0818206862	 1.5172914769	 2.8468335276	 0.123531
+H	 1.9043284149	 3.2647540595	 1.1820619729	 0.095811
+H	 1.5364333624	 2.0254999706	-0.891303873	 0.093163
+H	 2.1874404003	-1.912472411	 3.2549893828	 0.093626
+19
+0 3647	2.7392228	1.1599854	0.9141458	2.9789	77.88	-0.24968	-0.02455	0.22513000000000002	1283.3084	0.156938	-422.585017	-422.576113	-422.575168	-422.619208	32.683
+O	 0.5751430403	 4.1592872492	-1.671962714	-0.435489
+C	 0.1267091472	 2.84786499	-2.0259171585	 0.087388
+C	 1.0597919487	 1.7523501914	-1.4834565478	-0.237607
+C	 0.7678936483	 1.441908177	-0.001630948	-0.076978
+C	-0.6849567186	 0.9505321164	 0.1510992943	-0.268224
+C	-1.6579894949	 1.796560049	-0.6264261861	-0.061749
+C	-1.3019433452	 2.6371875916	-1.5978322173	-0.091237
+C	 1.7364754173	 0.400823639	 0.5138076368	 0.146398
+O	 2.5477625638	 0.5737852524	 1.3853481528	-0.245821
+H	 0.2884083708	 4.3301422443	-0.7685860825	 0.280946
+H	 0.1850704081	 2.8326834425	-3.1208051426	 0.091984
+H	 0.9249609228	 0.839362714	-2.0787568736	 0.10028
+H	 2.0938818508	 2.0842064604	-1.6145142261	 0.120498
+H	 0.9195946983	 2.3463792066	 0.5979255093	 0.087642
+H	-0.7620225813	-0.0960433335	-0.1844494375	 0.11602
+H	-0.9671544608	 0.9389968481	 1.2106734843	 0.121461
+H	-2.7074519976	 1.6928794612	-0.3600451062	 0.0979
+H	-2.0495714338	 3.2420032521	-2.1039681229	 0.098306
+H	 1.6484633858	-0.5877085015	-0.0001505944	 0.068284
+19
+0 3648	3.3750397	0.8907435	0.7479057	1.4055	77.02	-0.25367	0.02983	0.28350000000000003	1499.6701	0.154537	-422.496127	-422.486544	-422.4856	-422.531462	35.026
+O	-5.4202138385	 2.5549199446	-2.046069136	-0.432416
+C	-4.0302570287	 2.7009604866	-1.9092653156	 0.163478
+C	-3.0721152461	 1.7914663558	-2.7271468385	-0.303731
+C	-2.1328281454	 1.7668676849	-1.5054283424	 0.159938
+C	-3.3221720456	 2.223745969	-0.6122645351	-0.291984
+O	-1.5435363069	 0.505985673	-1.27985679	-0.238002
+C	-0.5160853081	 0.4907050133	-0.3083812023	-0.236651
+C	-0.9774504987	 0.6459152501	 1.0750123724	 0.324046
+C	-1.3422061923	 0.7645420015	 2.2141349606	-0.466877
+H	-5.6403055623	 1.6348283696	-1.865561043	 0.276493
+H	-3.8305172023	 3.758815572	-2.1030420182	 0.092411
+H	-3.5090706241	 0.796144226	-2.8631968682	 0.106958
+H	-2.685273432	 2.1483891213	-3.6835944561	 0.103539
+H	-1.3529390802	 2.5397382677	-1.5665595318	 0.069428
+H	-3.8239487684	 1.3434509955	-0.1976215325	 0.105345
+H	-3.1415236064	 2.9443525827	 0.1867012383	 0.105207
+H	-0.0177055869	-0.4786842568	-0.4177345712	 0.1396
+H	 0.2333920081	 1.2687463159	-0.5285022811	 0.120001
+H	-1.6660739151	 0.8701252373	 3.2201590307	 0.203217
+19
+0 3649	2.3104089	1.3376473	1.116512	1.7291	77.79	-0.24634	-0.08914	0.1572	1193.4563	0.153737	-422.566046	-422.556113	-422.555168	-422.601298	35.446
+C	-0.5611132139	 2.4411203151	-2.6721407371	-0.428647
+C	-1.3864340145	 2.6459979468	-1.4229301427	-0.004509
+C	-0.9677219196	 3.5831159213	-0.3416444915	-0.313206
+C	-0.9944628797	 2.0908464858	-0.0295012629	 0.200845
+C	-2.1268345333	 1.5629321534	 0.8377060015	-0.478703
+C	 0.3430218591	 1.449225987	 0.0652621797	 0.229343
+O	 1.3837587937	 1.9696068971	-0.2939822263	-0.305532
+C	 0.5057525248	 0.0035719788	 0.5729653486	 0.092567
+O	-0.3677038531	-0.8147244764	 0.6832631704	-0.228673
+H	-0.7765266984	 1.4733963695	-3.13772944	 0.120504
+H	-0.7995160324	 3.2214579073	-3.4032540522	 0.122507
+H	 0.5089331029	 2.4936884242	-2.4632244782	 0.15113
+H	-2.4587970312	 2.5645273021	-1.5859104004	 0.09793
+H	 0.0176460168	 4.0281694432	-0.4256028898	 0.137881
+H	-1.7151169428	 4.1923138562	 0.1549865697	 0.116256
+H	-2.4021135386	 0.5409616228	 0.5753619827	 0.150399
+H	-1.8570493113	 1.5737902555	 1.8994167094	 0.119769
+H	-3.0059925	 2.2032216992	 0.7192008946	 0.112315
+H	 1.5773141513	-0.222795979	 0.7603737746	 0.107823
+19
+0 3650	2.2623977	1.458556	1.1346807	2.5491	76.93	-0.23523	0.01728	0.25251	1155.7079	0.153319	-422.489812	-422.479953	-422.479009	-422.52416	36.697
+C	-1.1873480854	 1.4212540234	-2.7382842233	-0.470371
+C	-1.374067408	 1.9706450069	-1.3422965849	 0.402377
+C	-1.519541145	 3.4549357706	-1.1403810854	-0.361198
+C	-0.2563166397	 2.7660078433	-0.6855619975	 0.054335
+O	-0.059323852	 2.701143076	 0.6882294848	-0.42597
+O	-2.2131222067	 1.2245646722	-0.4906108713	-0.275414
+C	-1.8742315607	-0.137716558	-0.298678913	-0.22542
+C	-0.5464997778	-0.3793431613	 0.2784148012	 0.309092
+C	 0.5427918847	-0.5963365822	 0.7422675531	-0.472057
+H	-0.644283293	 0.4698201429	-2.7416617509	 0.121759
+H	-2.1558140258	 1.2708721231	-3.2283299784	 0.124893
+H	-0.6100353071	 2.1253499705	-3.3432230315	 0.124454
+H	-1.500397982	 4.1080761167	-2.0058110538	 0.108295
+H	-2.1833991356	 3.7543733179	-0.3377596303	 0.133068
+H	 0.6468677151	 2.9165927038	-1.2800642433	 0.07687
+H	 0.1542512271	 1.7858119749	 0.9100665104	 0.28705
+H	-2.6398511186	-0.5276629376	 0.3800068499	 0.14693
+H	-1.9562697403	-0.7063006944	-1.2366300543	 0.12919
+H	 1.5011745808	-0.8039495786	 1.1520426985	 0.212117
+19
+0 3651	2.900016	0.8928955	0.7689764	1.8314	77.89	-0.24298	0.04106	0.28404	1501.664	0.153336	-422.505892	-422.495654	-422.49471	-422.541375	37.521
+O	 0.5418247355	 3.2269072587	-0.3360370161	-0.410996
+C	 0.0099044388	 2.6557651675	-1.4969398209	 0.031538
+C	-1.0814470496	 3.4409366848	-2.1701372587	-0.345044
+C	-1.4121291856	 2.1226166291	-1.5211623179	 0.354551
+O	-1.6830257694	 1.095288626	-2.4447574851	-0.46709
+C	-2.2416367751	 2.100418453	-0.2545650332	-0.241496
+C	-2.1072545522	 0.7664072996	 0.5137655246	-0.378421
+C	-2.8803357765	 0.7406056584	 1.7478824467	 0.293454
+C	-3.5277028054	 0.7469178309	 2.7605264837	-0.428413
+H	 0.8810341281	 2.5199401646	 0.2231287241	 0.288065
+H	 0.7252494564	 2.1503232872	-2.1465596656	 0.088392
+H	-1.4085862369	 4.3442040459	-1.6670905318	 0.12693
+H	-1.0896424414	 3.4746352409	-3.2529278068	 0.125636
+H	-1.2675740225	 0.2854909545	-2.129338727	 0.282263
+H	-1.9261721048	 2.9225088277	 0.3926812816	 0.125121
+H	-3.2960354996	 2.2606697679	-0.5037475779	 0.11767
+H	-2.434183941	-0.0567273014	-0.1342417888	 0.130249
+H	-1.0486845395	 0.5792673918	 0.7434880576	 0.112997
+H	-4.0971128394	 0.7410729329	 3.6565153417	 0.194595
+19
+0 3652	2.0638165	1.5135069	1.0308698	2.4039	78.21	-0.24849	-0.02825	0.22024	1218.475	0.153696	-422.578302	-422.568365	-422.56742	-422.613694	35.422
+C	 1.9654226604	 1.6335028947	-0.6859603316	-0.426438
+C	 1.544248441	 0.253617908	-0.2318611832	-0.000244
+C	 1.9735966076	-0.3469684835	 1.0408435199	-0.312994
+C	 2.4975149894	-0.9848032873	-0.2672369551	 0.095878
+C	 3.9287444084	-0.7311066291	-0.5581096682	 0.090895
+O	 4.66933131	-1.4338850485	-1.2045577619	-0.281361
+C	 1.7982127264	-2.266805267	-0.6663640708	 0.309497
+C	 2.5225727923	-3.2907295948	-1.5069897245	-0.469844
+O	 0.6518170623	-2.44742191	-0.3060410703	-0.317367
+H	 1.21325481	 2.3617461775	-0.3641035594	 0.13438
+H	 2.922736609	 1.9470526407	-0.262736614	 0.125943
+H	 2.038892705	 1.6937236057	-1.7764007229	 0.133932
+H	 0.5520675874	-0.0493794096	-0.5532528887	 0.130786
+H	 2.7118169104	 0.1772621588	 1.6401466619	 0.1244
+H	 1.2730713697	-0.9696987461	 1.5838472673	 0.152917
+H	 4.3138245206	 0.2069497746	-0.1000351868	 0.076369
+H	 3.422435447	-3.6432295049	-0.9956923019	 0.154033
+H	 1.8411360594	-4.1195676915	-1.7032706196	 0.129252
+H	 2.8728892437	-2.8473631979	-2.4431288502	 0.149964
+19
+0 3653	1.944646	1.5508933	1.0964995	2.1378	76.52	-0.25094	-0.02219	0.22875	1186.6165	0.154834	-422.53212	-422.522813	-422.521869	-422.566423	33.647
+C	 1.0818816573	-0.4465831558	 1.0296372658	-0.42477
+C	 1.1064886095	 0.2516772075	-0.3133694945	-0.030661
+C	 1.9054444293	-0.2550646053	-1.4639857319	-0.333764
+C	 2.2924938137	 1.0804059397	-0.815768517	 0.184629
+C	 3.563553908	 1.0970937224	-0.0565817696	 0.103417
+O	 4.2984358289	 2.0550041025	 0.0074695968	-0.273043
+C	 2.0156153361	 2.3473457672	-1.5762812731	 0.014161
+C	 1.0833468998	 3.3716408604	-1.0954254823	-0.17562
+O	 0.7154123092	 2.4767035711	-2.1532669876	-0.246688
+H	 0.2755295485	-1.1874102215	 1.0463868476	 0.128687
+H	 2.0137925417	-0.9764474911	 1.2434367411	 0.122736
+H	 0.9017913812	 0.2595680258	 1.8468934502	 0.127537
+H	 0.164974993	 0.7110513404	-0.6019378618	 0.12067
+H	 2.5746355146	-1.094128084	-1.2977461433	 0.120851
+H	 1.4852458353	-0.1941844694	-2.4614258259	 0.141497
+H	 3.8270598657	 0.1428501029	 0.4508144932	 0.071681
+H	 2.8290411834	 2.6700268714	-2.2248948342	 0.109916
+H	 0.5583298245	 3.2163229948	-0.1544935808	 0.114132
+H	 1.2203885205	 4.4096706311	-1.3914340626	 0.124632
+19
+0 3654	2.1986008	1.4704058	1.0165428	2.2975	76.65	-0.25336	-0.03603	0.21732999999999997	1223.6474	0.154322	-422.534083	-422.524666	-422.523722	-422.568605	34.002
+C	 0.1035975225	 2.435327844	 3.9052829561	-0.430859
+C	 0.0804903977	 1.688109783	 2.5953499726	 0.043345
+O	-0.4094447536	 2.3663549922	 1.4418943185	-0.284771
+C	 0.9621250151	 1.9353333191	 1.4197082938	 0.235697
+C	 1.9509754744	 3.0635526413	 1.4984030858	 0.118783
+O	 3.1056067607	 2.963861671	 1.1696911082	-0.25329
+C	 1.3133783555	 0.8312572054	 0.4690323437	-0.067832
+C	 0.8325503674	 0.8997015458	-0.9601670664	-0.26136
+C	 0.2619488258	-0.1289174916	-0.0168136428	-0.282963
+H	 0.7733181142	 1.9352621201	 4.6125564939	 0.134703
+H	 0.4282445422	 3.4703650998	 3.7892558791	 0.132487
+H	-0.8997349567	 2.4417859165	 4.3437461354	 0.136388
+H	-0.2716503846	 0.6573632345	 2.668610933	 0.102274
+H	 1.5255188812	 4.0166304218	 1.8783650111	 0.088958
+H	 2.3165150201	 0.4485614139	 0.6213517756	 0.107273
+H	 0.1876421969	 1.7282072771	-1.2311022425	 0.124924
+H	 1.5116980252	 0.5777972707	-1.7409022763	 0.11754
+H	-0.7563667123	 0.0315481206	 0.319295962	 0.125629
+H	 0.5422890084	-1.1683065452	-0.1443757408	 0.113074
+19
+0 3655	2.0461337	1.5260632	1.0304787	3.4347	76.48	-0.23963	-0.01965	0.21998	1197.0476	0.154904	-422.534753	-422.5253	-422.524356	-422.570093	34.296
+O	-2.4079893219	 1.5926539459	 0.9917720559	-0.413999
+C	-1.8011542293	 0.572265171	 1.7078962923	 0.133578
+C	-0.4425239414	 0.67693672	 2.2827503068	-0.373847
+C	-0.6436402437	-0.238579111	 1.066609967	 0.158622
+C	-0.6953204047	-1.6901088962	 1.3649692603	 0.096933
+O	-0.9448287391	-2.1560831105	 2.4547228688	-0.283205
+C	-0.2038185231	 0.1555404174	-0.3148211681	-0.113584
+C	 1.1945062873	-0.1565374367	-0.7989594186	-0.266635
+C	 0.7803971774	 1.2738010557	-0.5885576188	-0.283026
+H	-1.7255374533	 2.1494136724	 0.6021336229	 0.293913
+H	-2.5401456193	-0.012874682	 2.243663575	 0.133107
+H	 0.1123813048	 1.595857368	 2.1253532253	 0.114177
+H	-0.2486183641	 0.163637382	 3.2184285562	 0.144975
+H	-0.506543483	-2.3500904887	 0.489517324	 0.074116
+H	-0.983927332	 0.0492838057	-1.0652096811	 0.10519
+H	 1.8879693184	-0.5833255058	-0.0824770113	 0.121949
+H	 1.3193703199	-0.5182481715	-1.8131054963	 0.119161
+H	 1.2188003602	 1.8004851865	 0.2518326547	 0.118947
+H	 0.6089105668	 1.8948852876	-1.460891825	 0.119627
+19
+0 3656	2.4205068	1.1696521	0.8952246	3.6863	77.64	-0.24471	-0.02958	0.21513000000000002	1332.4572	0.153725	-422.567164	-422.557178	-422.556234	-422.603273	34.822
+C	-2.3660779771	 4.2577368427	 1.2357251962	-0.421821
+C	-1.2033824449	 3.2881584975	 1.284909613	-0.038484
+C	-0.1931971004	 3.2044602751	 0.1938328956	-0.32949
+C	-1.1186795101	 2.0067356656	 0.4368522106	 0.213997
+C	-0.5344594471	 0.7519673156	 1.0815426766	-0.361067
+C	 0.4189799433	 0.0436643372	 0.1370789597	 0.154729
+O	 1.6116927992	-0.0071187705	 0.3056081632	-0.245259
+C	-2.1615942819	 1.7602390979	-0.5862763731	 0.110124
+O	-2.5643526637	 0.6614411777	-0.8916294014	-0.27605
+H	-3.2381332834	 3.8683266958	 1.7709793497	 0.131296
+H	-2.0771501849	 5.2012601933	 1.7108499711	 0.131
+H	-2.6741348271	 4.4917083747	 0.2137258334	 0.12553
+H	-0.8170741817	 3.1273112592	 2.2880408978	 0.106281
+H	-0.3673133015	 3.7891932018	-0.7046881554	 0.125271
+H	 0.8530637229	 3.0524932642	 0.4353539019	 0.146057
+H	 0.0195327925	 1.0062895141	 1.9886810239	 0.116006
+H	-1.3558877225	 0.0711525843	 1.3327917591	 0.133479
+H	-0.0601835952	-0.4141244209	-0.753425564	 0.101975
+H	-2.5614709365	 2.6686392747	-1.0857427981	 0.076425
+19
+0 3657	2.1212226	1.6203754	1.0903148	2.8291	77.37	-0.2347	-0.01799	0.21670999999999999	1153.266	0.154836	-422.54935	-422.540041	-422.539097	-422.583565	34.395
+C	-3.1305471358	-0.2167953859	-1.1975624843	-0.389744
+C	-2.1646548733	-0.1878259907	-0.018140552	-0.086955
+C	-0.9217471253	-1.140176016	-0.1370662563	-0.368574
+C	-0.0094898792	 0.092154437	-0.0115770635	 0.351925
+O	 1.1781257091	 0.2676785405	 0.0088151432	-0.320594
+C	-1.1909071213	 1.0100177248	 0.0946447502	 0.214813
+C	-1.2395360331	 2.2340404737	 0.9964447063	-0.377974
+C	-1.2452390356	 2.4022040192	-0.4882630787	 0.0439
+O	-2.4254530234	 2.7596633364	-1.1413736795	-0.416331
+H	-3.631789932	-1.1892741037	-1.2528161978	 0.10811
+H	-3.8900077378	 0.5627578548	-1.1089425657	 0.12938
+H	-2.6023935387	-0.0526756657	-2.1425791286	 0.11772
+H	-2.7098409926	-0.3516170518	 0.9163208302	 0.078138
+H	-0.7942875616	-1.8751216896	 0.6625498713	 0.128329
+H	-0.8306759756	-1.6543971382	-1.0993013418	 0.128936
+H	-2.1792518976	 2.4061890409	 1.5120010436	 0.122487
+H	-0.3390955734	 2.4736358635	 1.5531898085	 0.133224
+H	-0.3257867229	 2.74362068	-0.9647297049	 0.109278
+H	-2.5913056298	 3.6917122109	-0.9638252103	 0.293934
+19
+0 3658	2.1206508	1.5296546	1.1048008	4.5086	76.34	-0.2647	0.01266	0.27736	1179.4402	0.155723	-422.578629	-422.569491	-422.568547	-422.61245	33.416
+C	-2.390130562	 2.7491054626	 1.5406618223	-0.41025
+C	-1.1290546971	 2.3568568452	 0.8045924531	-0.058096
+C	-1.0552648955	 2.4251039007	-0.6941272287	-0.346804
+C	-1.0871743001	 1.0850538271	-0.0059225825	 0.097257
+C	-2.0586964215	-0.0893584938	-0.1141035918	 0.073939
+C	-2.8707126615	-0.2588564688	-1.3783530954	-0.405404
+O	-0.895379323	-1.0008334401	-0.0833292932	-0.278466
+C	-0.0076413125	 0.0488627869	 0.008003839	 0.435942
+O	 1.1801061139	 0.0014885791	 0.077520959	-0.350019
+H	-2.4631628809	 2.2389653028	 2.5068891341	 0.128992
+H	-2.4086837544	 3.8274667095	 1.729484859	 0.12998
+H	-3.285150807	 2.4992229852	 0.9613203376	 0.117062
+H	-0.2016680464	 2.5726075084	 1.329379112	 0.113564
+H	-1.9503099767	 2.7199459841	-1.233872909	 0.121772
+H	-0.1216320765	 2.7155571468	-1.1634039976	 0.138479
+H	-2.6624091677	-0.2612945129	 0.7824816182	 0.098891
+H	-3.2902564146	-1.267646566	-1.4307010403	 0.137193
+H	-3.7014918718	 0.4548068247	-1.393462805	 0.123087
+H	-2.2516215748	-0.0910801813	-2.2640239308	 0.13288
+19
+0 3659	2.0554378	1.5833806	1.0939909	3.2713	78.04	-0.23347	-0.01685	0.21662	1170.1978	0.154823	-422.55489	-422.545527	-422.544582	-422.589163	34.419
+C	-2.519807577	 2.7891107269	 1.3364370817	-0.413037
+C	-1.1942557114	 2.3540199806	 0.7538036624	-0.064551
+C	-1.0054387436	 2.2519130814	-0.7229122294	-0.325054
+C	-1.077735618	 0.9850744119	 0.1120646979	 0.230846
+C	-2.113595145	-0.1365591415	-0.021834388	 0.0058
+O	-2.8858787569	-0.0234476457	-1.1968869974	-0.431873
+C	-0.9440988504	-1.1819309026	-0.0262628448	-0.391701
+C	 0.0265014214	-0.0137704491	 0.2525802976	 0.342413
+O	 1.1963267624	 0.0635136552	 0.5102318072	-0.320914
+H	-2.6593646775	 2.3982727269	 2.3500961104	 0.120823
+H	-2.5801822079	 3.8814182301	 1.388456366	 0.125268
+H	-3.3529754453	 2.4375738987	 0.7197563435	 0.129494
+H	-0.3136453187	 2.6388483488	 1.3249223079	 0.105545
+H	-1.860315833	 2.4296341422	-1.366895422	 0.13705
+H	-0.0386440054	 2.4942575273	-1.1508015862	 0.131253
+H	-2.7556364439	-0.2329126712	 0.8641663524	 0.074299
+H	-3.5191144175	-0.7480691655	-1.2138186713	 0.287503
+H	-0.9680161795	-1.9782795194	 0.7220644926	 0.122384
+H	-0.7892197128	-1.6160447151	-1.0189314305	 0.134451
+19
+0 3660	2.0877539	1.6058136	1.1056579	3.2758	77.02	-0.24098	-0.03665	0.20433	1172.72	0.154184	-422.548125	-422.538789	-422.537844	-422.582195	34.163
+C	 0.1902928231	 3.0141351484	 1.1068756582	-0.429121
+C	-1.0561479923	 2.3835459298	 0.5456346316	-0.012896
+O	-1.1041534433	 2.188806219	-0.8697533867	-0.28237
+C	-1.0605267659	 1.0323442481	-0.0588513673	 0.312475
+C	-2.1155924235	-0.0930798042	 0.0029537074	-0.080648
+C	-3.2425889642	 0.027746213	 1.0189706145	-0.413976
+C	-0.9622925025	-1.1087751199	 0.3007226216	-0.373055
+C	 0.0597021504	 0.0063397206	-0.0051784625	 0.343455
+O	 1.245433749	 0.0432428834	-0.1691611447	-0.308232
+H	 0.2248726669	 2.8884432089	 2.1942517402	 0.122664
+H	 1.0802830991	 2.5575010123	 0.6687114782	 0.159774
+H	 0.1995912063	 4.087828101	 0.8922806383	 0.13176
+H	-2.0034281098	 2.723533139	 0.9682547563	 0.09905
+H	-2.5221169725	-0.2620325108	-0.9995788417	 0.097804
+H	-3.8508111725	-0.8822172084	 1.0409116372	 0.12364
+H	-2.849330062	 0.1924301488	 2.0282497738	 0.115971
+H	-3.9072255833	 0.8633962086	 0.7752050893	 0.126863
+H	-0.9172975269	-1.4331688111	 1.3457969469	 0.131089
+H	-0.8945305861	-1.9889776066	-0.3423643204	 0.135754
+19
+0 3661	2.5962107	1.4996464	1.3199606	2.2857	76.5	-0.22635	0.06958	0.29593	1061.5816	0.154887	-422.470312	-422.461656	-422.460712	-422.503117	33.393
+C	 2.9413049739	 0.3744023631	-3.3082863301	-0.520846
+C	 1.4614058216	 0.5646413689	-3.240535125	 0.33405
+C	 0.6027532004	 1.860813559	-3.3043761844	-0.258161
+C	-0.3394218837	 0.6364226395	-3.3850766662	-0.062584
+O	 0.6062227509	 0.0104363936	-4.3386542005	-0.34713
+C	 0.4426672851	-0.0095503777	-2.2388653554	 0.41582
+C	 0.3851125056	-1.3203495534	-1.5322942839	-0.428358
+C	 0.3792637086	-0.000378359	-0.7602903164	-0.016342
+O	 1.5384963221	 0.4165906768	-0.0925152814	-0.425163
+H	 3.4046172647	 0.7902244309	-2.4092634242	 0.143789
+H	 3.1856492863	-0.6909782636	-3.3645044665	 0.131179
+H	 3.3557613352	 0.8728791987	-4.1893823803	 0.129894
+H	 0.5624414737	 2.4904545078	-2.4122811125	 0.10408
+H	 0.6973475337	 2.4238837367	-4.2342550038	 0.099724
+H	-1.4020248201	 0.5851162805	-3.6212861701	 0.092444
+H	-0.5283018887	-1.9066453639	-1.5595659551	 0.114668
+H	 1.3005630201	-1.9033570572	-1.4907220702	 0.117052
+H	-0.5571709059	 0.2890278051	-0.2806699257	 0.086999
+H	 1.6259138965	-0.1093869858	 0.7096449818	 0.288885
+19
+0 3662	2.652474	1.5004908	1.2618114	0.6966	76.27	-0.24234	0.08347	0.32581	1089.9565	0.154479	-422.475673	-422.466956	-422.466012	-422.50857	33.138
+C	 0.0053632853	-0.1106685464	-0.3885915368	-0.418677
+C	 0.8928579497	 0.3874165357	 0.7206360082	-0.071058
+O	 1.9866877313	 1.2781801632	 0.331053354	-0.313057
+C	 2.2881872212	 0.0188220643	 0.8659124977	 0.482663
+C	 3.2358661484	-0.3517245078	 2.0142665222	-0.055619
+C	 4.4124315654	-0.2946327	 1.0127969757	-0.266086
+C	 3.2465150207	-1.0751376749	 0.335388433	 0.296536
+C	 3.2387200843	-1.8854295005	-0.920829403	-0.520252
+O	 3.0191523876	-1.7679208388	 1.6377603872	-0.345168
+H	-0.5845041056	-0.9672286911	-0.0452397664	 0.130089
+H	-0.6908717657	 0.673131462	-0.7042812006	 0.130426
+H	 0.594713515	-0.4166113687	-1.2559368912	 0.12727
+H	 0.3712522105	 0.7305143883	 1.6154653728	 0.098833
+H	 3.2048090492	-0.0978058841	 3.0725507624	 0.099403
+H	 4.6874546381	 0.6774630885	 0.5964588415	 0.113696
+H	 5.2693999192	-0.9132464677	 1.2844910101	 0.103887
+H	 4.0602404829	-2.6078282843	-0.9179569552	 0.134597
+H	 2.2966810221	-2.4319253542	-1.0220279192	 0.13653
+H	 3.3573590205	-1.2295479635	-1.7889166325	 0.135989
+19
+0 3663	2.8950853	1.3503824	1.231088	0.8791	76.05	-0.24377	0.07547	0.31923999999999997	1115.6958	0.155692	-422.496102	-422.487588	-422.486644	-422.528792	32.869
+C	-0.0285208255	-0.4432323832	-0.2852780311	-0.413938
+C	 0.8408935619	 0.3682567529	 0.6384021362	-0.091517
+O	 2.0328857471	-0.3010557344	 1.1559558764	-0.339317
+C	 2.1842014392	 0.8042771668	 0.2968969942	 0.476358
+C	 3.0553734242	 0.9186609187	-0.9626895322	-0.169309
+C	 2.7414363618	 2.4500302307	-0.9098192324	-0.258521
+C	 3.0511026163	 2.050974513	 0.5545319972	 0.305037
+O	 3.0179228379	 2.9214068905	 1.6213931337	-0.470964
+C	 4.2532068296	 1.2043454987	-0.0020362997	-0.29753
+H	-0.5984404816	-1.1894472327	 0.2780804119	 0.130224
+H	-0.7444452614	 0.2052326171	-0.8021061237	 0.123744
+H	 0.5754869325	-0.9628300038	-1.0332068427	 0.12633
+H	 0.307966716	 0.9315178302	 1.4066385234	 0.094902
+H	 3.0575247794	 0.2783562112	-1.839881902	 0.089952
+H	 3.4794294179	 3.0959632453	-1.3898051813	 0.101162
+H	 1.7173875186	 2.7585965635	-1.1327015055	 0.097926
+H	 3.159162315	 2.4104557572	 2.4268209069	 0.291057
+H	 5.0805749177	 1.7770733585	-0.427787787	 0.095621
+H	 4.5975148235	 0.3691849698	 0.6111901378	 0.108783
+19
+0 3664	2.8255161	1.3433334	1.2327519	1.7578	76.24	-0.248	0.06519	0.31318999999999997	1100.0547	0.156002	-422.488609	-422.480119	-422.479175	-422.521247	33.167
+O	-0.693240633	 1.18357651	 0.2880317769	-0.422017
+C	-1.8396910793	 0.3834413122	 0.4032129805	-0.041432
+C	-3.0259088494	 0.806840813	-0.4473655158	-0.408718
+C	-2.2831988949	-0.4529480435	-0.7443907536	 0.360055
+C	-1.5521424841	-0.9649503163	-1.9954078589	-0.141576
+C	-1.2132658018	-2.2579337432	-1.1913239078	-0.289685
+C	-2.7152582384	-1.9350192141	-0.8897213502	 0.323469
+O	-3.6225641225	-2.6470552428	-0.1326701024	-0.466815
+C	-2.8956926324	-1.6529372474	-2.4016373973	-0.250178
+H	 0.0753038589	 0.6040172768	 0.3051297384	 0.285629
+H	-2.0575369463	 0.0439834446	 1.4185636041	 0.07327
+H	-4.0163105868	 0.7489856073	-0.0056590718	 0.115151
+H	-2.8590896527	 1.6655866929	-1.0901008621	 0.123841
+H	-0.8836148838	-0.3999108798	-2.6390351398	 0.089233
+H	-1.0198568292	-3.1594536864	-1.778578187	 0.094347
+H	-0.5086187988	-2.1520268639	-0.3611557453	 0.077577
+H	-3.2655683802	-2.7516416108	 0.7560984845	 0.284287
+H	-2.8154418594	-2.5161722027	-3.0676499558	 0.091739
+H	-3.718796486	-0.991522826	-2.6782713265	 0.101823
+19
+0 3665	2.4466235	1.611678	1.1559353	0.7397	75.9	-0.22783	0.05929	0.28712	1099.4844	0.155037	-422.456414	-422.4477	-422.446756	-422.489443	33.187
+C	 2.3829173284	 1.3137812871	-1.3974543064	-0.45481
+C	 1.7919106304	-0.0850186105	-1.4547206535	 0.04996
+C	 1.9196345787	-1.1249798292	-0.2973829094	-0.076947
+O	 1.6071226752	-2.1901905299	-1.2849756462	-0.305949
+C	 2.6062156911	-1.3173443551	-1.9466876315	-0.073631
+C	 3.4049948302	-1.3163915422	-0.6279344678	 0.4
+C	 4.4559732898	-2.2647839532	-0.1315364732	-0.423341
+C	 4.7031431215	-0.7654092059	-0.1578909033	 0.024181
+O	 5.6291622553	-0.1531767264	-1.0128980626	-0.423774
+H	 1.8506950073	 1.9297824934	-0.6644230769	 0.119837
+H	 3.4448574081	 1.3131777269	-1.1437285014	 0.147947
+H	 2.2739625084	 1.8046456005	-2.3707127922	 0.119262
+H	 0.7797218359	-0.0978580482	-1.8676160391	 0.082696
+H	 1.4110362069	-1.1648342844	 0.6668178523	 0.092667
+H	 2.9219473892	-1.5914997047	-2.9551631526	 0.08906
+H	 4.3347878896	-2.75679532	 0.8287772306	 0.120434
+H	 4.9644474515	-2.8711278409	-0.8770619508	 0.114111
+H	 4.719073018	-0.2544059157	 0.8003132175	 0.112614
+H	 5.5968679546	-0.5956261817	-1.8673154635	 0.285683
+19
+0 3666	2.498166	1.6077511	1.1744836	2.3729	75.79	-0.23917	0.05667	0.29584	1093.9727	0.155456	-422.466728	-422.458237	-422.457293	-422.499474	32.813
+C	 2.3098856975	-1.0938356412	 1.3556508623	-0.410691
+C	 1.3963304448	 0.0855749637	 1.0880783404	-0.123721
+C	 0.9951283364	 0.4300436771	-0.3428413216	-0.400031
+C	 1.9006652029	 1.3301529377	 0.4159302453	 0.436163
+C	 3.2868914737	 1.9141075472	 0.0925323417	-0.105607
+O	 2.6088558852	 3.0676454659	-0.5399636306	-0.297325
+C	 1.8509322145	 2.8382998554	 0.7101323544	-0.113275
+C	 3.2328090574	 2.7214765543	 1.4320896128	 0.158351
+O	 3.3836872635	 2.1287849189	 2.6801291976	-0.430332
+H	 2.8442767298	-0.9942978652	 2.3082478457	 0.118159
+H	 1.7420470589	-2.0294488724	 1.3928534917	 0.126282
+H	 3.0636261224	-1.1920667985	 0.5679117326	 0.122738
+H	 0.6129758194	 0.2292847101	 1.8304871172	 0.093071
+H	 1.4233907421	-0.1720980438	-1.1386887789	 0.118931
+H	-0.0241741547	 0.7523759979	-0.5287116957	 0.119434
+H	 4.1306322818	 1.4698533154	-0.436260981	 0.094275
+H	 0.9947617837	 3.4831546911	 0.9117816733	 0.094163
+H	 3.8171572393	 3.6414400572	 1.4076356618	 0.104903
+H	 2.832294911	 1.3390030092	 2.7067938207	 0.294511
+19
+0 3667	3.4829534	1.1989791	1.0442343	0.3263	75.94	-0.2452	0.06536	0.31056	1195.6879	0.155888	-422.485803	-422.477382	-422.476438	-422.518439	32.584
+C	 0.0015568668	-0.4018549685	-0.3361390711	-0.414692
+C	 0.8437050751	 0.3607505886	 0.6522562971	-0.093998
+O	 2.0521934769	-0.3078035	 1.1202060722	-0.327418
+C	 2.1769474501	 0.8601727877	 0.3492574881	 0.56748
+C	 3.0374828432	 1.0481203966	-0.9089752531	-0.212664
+C	 4.2138436233	 1.3114417097	 0.0923370234	-0.267135
+C	 3.0054071165	 2.1046560074	 0.6962359789	-0.214262
+C	 2.6648362174	 2.5646669222	-0.7637379893	 0.196865
+O	 3.4073188198	 3.5591844549	-1.4044870478	-0.451027
+H	-0.5411808479	-1.2107969813	 0.1638356034	 0.131242
+H	-0.7369443791	 0.260939033	-0.8003320419	 0.124082
+H	 0.6225837299	-0.8382283692	-1.1223589658	 0.127149
+H	 0.2921576005	 0.8466666341	 1.4591509759	 0.094817
+H	 3.0534543449	 0.4437108799	-1.815413603	 0.081972
+H	 4.5609182123	 0.4509074604	 0.6655793833	 0.123424
+H	 5.0674340115	 1.8900208359	-0.2723197594	 0.079808
+H	 2.9807249094	 2.6958072227	 1.6111987907	 0.082526
+H	 1.6162898333	 2.8113001277	-0.9464363633	 0.087717
+H	 4.3466029059	 3.3925745284	-1.2767041784	 0.284112
+19
+0 3668	2.535323	1.5538144	1.1518159	3.4816	75.74	-0.2405	0.06661	0.30711	1121.1634	0.154723	-422.462978	-422.454356	-422.453412	-422.495917	32.695
+C	 2.7395315249	-0.6993734743	 4.517865826	-0.418218
+C	 3.2439474056	-0.9988931773	 3.1304799453	-0.082687
+O	 3.1495591077	-2.3816210606	 2.6932925417	-0.30414
+C	 2.3747224537	-1.4242405878	 2.0398605394	 0.556379
+C	 0.8731129235	-1.5045323752	 1.707847207	-0.092157
+O	 1.246579772	-2.3496350083	 0.5456018985	-0.311255
+C	 2.2231520906	-1.2308122913	 0.521729349	-0.095727
+C	 1.0339917765	-0.2590553028	 0.7850811576	 0.042298
+C	 1.2123477608	 1.1543766606	 1.3125012179	-0.444132
+H	 1.7813721343	-1.1930370319	 4.6985982072	 0.128823
+H	 3.4544759236	-1.0493300215	 5.2695039517	 0.134523
+H	 2.6100806023	 0.3798447963	 4.6556177033	 0.124457
+H	 4.1948101659	-0.5324741857	 2.8661708343	 0.096841
+H	 0.026308077	-1.8254624505	 2.3141780513	 0.098668
+H	 2.9717204798	-1.2287705471	-0.270346654	 0.09963
+H	 0.3201724911	-0.3134513052	-0.0400443258	 0.090802
+H	 1.9226124487	 1.209662255	 2.1406008536	 0.124773
+H	 1.5716635332	 1.8162519714	 0.5173856739	 0.125832
+H	 0.2554918786	 1.5554254461	 1.6631257623	 0.125289
+19
+0 3669	3.9938181	1.1171264	1.0297476	0.852	76.47	-0.24464	0.06929	0.31393	1195.0577	0.156397	-422.482049	-422.47367	-422.472726	-422.514604	32.741
+O	-4.5863806461	 0.4875219603	 2.8411359543	-0.422531
+C	-4.1227760125	 0.0725344602	 1.5843821967	-0.031749
+C	-3.5901125853	 1.1745236168	 0.6874736258	-0.413833
+C	-2.6708558513	 0.1467162019	 1.2715149362	 0.434934
+C	-1.4447253061	 0.2581960185	 2.1904988757	-0.192232
+C	-1.3712265234	-1.3016540345	 2.1373608534	-0.225789
+C	-1.6690034489	-0.8566639443	 0.6682908805	-0.170757
+C	-0.6082464338	 0.2586710303	 0.8612145674	 0.171573
+O	 0.726275996	-0.1793991393	 0.8765533276	-0.445713
+H	-4.3442773383	-0.1888838624	 3.4822336494	 0.286338
+H	-4.7209199706	-0.707496435	 1.1102007633	 0.08285
+H	-3.8385568647	 1.1394265937	-0.3687116243	 0.111959
+H	-3.5819270316	 2.169395253	 1.1218273204	 0.12262
+H	-1.3262595378	 0.909159965	 3.0576678081	 0.0735
+H	-0.3929855849	-1.745859933	 2.3157847292	 0.111375
+H	-2.171038361	-1.8441577888	 2.6474036796	 0.078593
+H	-1.8052842496	-1.4897370536	-0.2090289693	 0.075528
+H	-0.7377557193	 1.1469990087	 0.2308044938	 0.069282
+H	 1.2794421794	 0.5565679724	 1.1558543522	 0.284053
+19
+0 3670	3.1116072	1.4454591	1.2820136	1.0616	75.16	-0.23284	0.08372	0.31656	1063.7707	0.157216	-422.511911	-422.504096	-422.503152	-422.54401	30.498
+C	 0.0917652291	 0.4427348348	 0.0428910272	-0.413087
+C	 0.9712106262	-0.777032429	-0.0294182381	-0.081562
+O	 2.1538524701	-0.7780798638	 0.8181963982	-0.325851
+C	 2.3179231789	-0.7559589049	-0.5818228828	 0.523764
+C	 3.2133284604	-1.7576876071	-1.3453004954	-0.178912
+C	 4.3521276541	-0.7079848229	-1.1080243752	-0.249069
+C	 3.1746549601	 0.2768533217	-1.3333343995	 0.00471
+O	 2.8007606204	 0.0502568758	-2.7019656162	-0.283059
+C	 2.8050275562	-1.4001493756	-2.7800690928	-0.077729
+H	-0.4929284839	 0.4425329578	 0.9685727768	 0.129325
+H	 0.6898378584	 1.3566243044	 0.0127895552	 0.127402
+H	-0.6080440653	 0.4564598703	-0.7993633167	 0.12821
+H	 0.4467619172	-1.7344896481	-0.0213659377	 0.092058
+H	 3.2964834275	-2.8074677464	-1.0704401075	 0.083944
+H	 4.7151518465	-0.7140884403	-0.0798662693	 0.124233
+H	 5.172179328	-0.6674511577	-1.8283683382	 0.10069
+H	 3.2044720316	 1.3424703664	-1.1171720629	 0.089046
+H	 1.8064116945	-1.7618834376	-3.0513912135	 0.102598
+H	 3.52395134	-1.7312541879	-3.5385711316	 0.103291
+19
+0 3671	3.0977907	1.4236111	1.2697793	3.0665	74.4	-0.25034	0.08408	0.33442	1073.4823	0.157164	-422.514234	-422.506371	-422.505426	-422.546407	30.603
+C	 0.1083083413	-0.2477181554	-0.392628836	-0.41795
+C	 0.9666715129	 0.4814677612	 0.6081725738	-0.071682
+O	 2.0890772334	-0.256824748	 1.1580745294	-0.314017
+C	 2.3507507749	 0.8577890911	 0.3460803823	 0.530452
+C	 3.3022635492	 0.8436041233	-0.8575174051	-0.032981
+C	 2.9618405752	 2.1684953457	-1.5724435825	-0.223599
+C	 2.9517351554	 3.0901213456	-0.3029831222	-0.222554
+C	 3.2903753133	 2.0033538398	 0.7382601457	-0.035332
+O	 4.3602297226	 1.2606558005	 0.0662290809	-0.302947
+H	-0.5320865957	-0.9794494601	 0.1104371734	 0.133902
+H	-0.5408870966	 0.4553355406	-0.9259480231	 0.123421
+H	 0.7249089064	-0.7779569746	-1.1229793146	 0.127653
+H	 0.422568346	 1.0531470687	 1.3626094605	 0.092655
+H	 3.5351183412	-0.0494949375	-1.435246027	 0.090818
+H	 3.7405116969	 2.4444304187	-2.2858477778	 0.113608
+H	 2.0016162095	 2.1380370342	-2.0944069729	 0.102026
+H	 3.7241194825	 3.8606583287	-0.3367815975	 0.11343
+H	 1.9856222715	 3.568800537	-0.1214121757	 0.101273
+H	 3.5080581701	 2.2764934006	 1.7696951383	 0.091823
+19
+0 3672	2.9514376	1.5572582	1.3360957	2.0551	74.98	-0.24205	0.07326	0.31531	1017.6166	0.158006	-422.512023	-422.504345	-422.503401	-422.544029	30.474
+O	 0.478083464	 0.2927676145	 1.0375153157	-0.430381
+C	-0.8583913166	 0.6201886405	 0.7822731675	 0.005201
+C	-1.7929979509	 0.6982129536	 1.9734930042	-0.415531
+C	-1.8905730549	-0.4276407125	 0.992508804	 0.417383
+C	-3.0503716148	-0.9668066439	 0.1239870902	-0.175957
+C	-3.1911703665	-2.0823495172	 1.2110180658	-0.234321
+C	-1.6517952901	-1.9196329904	 1.2310629686	 0.015268
+O	-1.2445733356	-2.3753386196	-0.0787778831	-0.292855
+C	-2.2252015731	-1.7244447736	-0.9294851963	-0.077711
+H	 0.7004252212	-0.4472071135	 0.4604680747	 0.295797
+H	-1.0100836031	 1.352556645	-0.0125846331	 0.082468
+H	-1.3583702697	 0.4869224734	 2.9454945573	 0.125137
+H	-2.5532937317	 1.4733057725	 1.9717507907	 0.112833
+H	-3.8842040991	-0.35519734	-0.2174376589	 0.076112
+H	-3.6715081362	-1.7217451125	 2.1210652838	 0.110085
+H	-3.5856808416	-3.0550605337	 0.906753786	 0.097723
+H	-0.9897922613	-2.3303751964	 1.9904079265	 0.087599
+H	-1.7212660917	-1.0627620766	-1.6430828325	 0.099861
+H	-2.800047518	-2.4776484597	-1.4803576312	 0.101287
+19
+0 3673	2.9533231	1.5026844	1.3022112	2.3807	74.94	-0.23763	0.06988	0.30751	1039.0341	0.157882	-422.514083	-422.506323	-422.505379	-422.546085	30.717
+O	 0.4609869991	 0.2176685968	 1.0811759971	-0.424002
+C	-0.749511406	 0.6728051841	 0.5439285331	-0.009899
+C	-1.9436744374	-0.2707307033	 0.4657660798	-0.426564
+C	-1.872765446	 0.8065643103	 1.5003636304	 0.437431
+C	-1.9345596989	 0.6507686496	 3.019836101	 0.00096
+C	-1.2397446701	 1.9317552822	 3.5296170232	-0.219077
+C	-1.9843739963	 2.9461160221	 2.5972771363	-0.218077
+C	-2.8638183912	 1.9182093713	 1.8506680373	-0.02782
+O	-3.337796629	 1.0740199038	 2.9483987832	-0.303813
+H	 0.8921245584	-0.3363719648	 0.4218326353	 0.289513
+H	-0.6527460341	 1.4188687958	-0.2468195228	 0.085172
+H	-2.6295991408	-0.1646990659	-0.3693256783	 0.113389
+H	-1.7839380054	-1.2916497009	 0.7991559226	 0.118008
+H	-1.7738683334	-0.2950295125	 3.5353310759	 0.081434
+H	-1.4444851966	 2.1033081054	 4.588289853	 0.102936
+H	-0.1596392714	 1.9063368698	 3.3703437739	 0.11781
+H	-2.5952415325	 3.6618538437	 3.1512090622	 0.105371
+H	-1.3142984079	 3.4955722249	 1.9306270949	 0.099342
+H	-3.6485826005	 2.2638856174	 1.177525412	 0.077886
+19
+0 3674	2.7134636	1.4086084	1.1894916	2.0377	75.47	-0.24593	0.07435	0.32028	1108.5937	0.155289	-422.497347	-422.488671	-422.487727	-422.530318	33.174
+C	-0.1477729905	 0.2038317974	-0.0607029339	-0.409176
+C	 1.3608244133	 0.0456026304	 0.0435436634	-0.092583
+C	 2.1984529974	 1.3305447638	 0.2301129266	 0.021901
+O	 1.8205845349	 1.9262179435	 1.4774111289	-0.247301
+C	 2.7662127387	 0.8432820346	 1.4968891388	-0.08569
+C	 1.9776543467	-0.4434901246	 1.3881294737	 0.342937
+C	 1.3485031696	-1.2759018305	 2.4730579527	-0.390522
+C	 2.4807903723	-1.8257255683	 1.6335577154	 0.013451
+O	 2.2141599023	-2.7618894359	 0.6294330689	-0.418164
+H	-0.5191785917	 0.8503849635	 0.7387553109	 0.132482
+H	-0.4296659189	 0.6455279483	-1.0227942593	 0.111883
+H	-0.6484117813	-0.7668506889	 0.0166737748	 0.115833
+H	 1.7544829866	-0.5605031143	-0.778265987	 0.095997
+H	 2.6186363278	 1.9852774229	-0.5248944887	 0.10078
+H	 3.725536858	 1.0274921518	 1.9673259203	 0.102323
+H	 1.5389404898	-1.0245590423	 3.5117326404	 0.114543
+H	 0.3566142599	-1.6690298563	 2.2716206524	 0.117117
+H	 3.4559565152	-1.9319515205	 2.1117299441	 0.084299
+H	 2.0341248899	-3.6089260743	 1.0506652276	 0.28989
+19
+0 3675	2.4045038	1.4806659	1.2106198	2.1859	75.39	-0.24728	0.06675	0.31403000000000003	1113.8211	0.155492	-422.499234	-422.49055	-422.489606	-422.532289	33.137
+C	 1.0497172697	-0.8212091102	-1.4375479527	-0.410847
+C	 1.6368908603	-0.0364459673	-0.2850675876	-0.062951
+C	 0.8130673279	 0.2215672292	 0.959005244	-0.372491
+C	 1.9869580197	-0.7210405466	 1.000228134	 0.306263
+C	 3.2203420383	-0.5756678699	 1.8695647413	-0.080351
+O	 4.1768670654	-1.547145495	 1.4095704128	-0.241172
+C	 3.1373188479	-1.9851456067	 2.2888158405	-0.031066
+C	 1.8831803985	-2.2221453708	 1.4053558296	 0.032869
+O	 0.7065884188	-2.6037681295	 2.0723127512	-0.427544
+H	 0.38964643	-1.6163604757	-1.0761985259	 0.127434
+H	 0.4609394267	-0.1734453042	-2.0960993181	 0.118042
+H	 1.8364765705	-1.2875596982	-2.0401490959	 0.124379
+H	 2.3054116073	 0.7701033787	-0.5785624125	 0.087265
+H	 0.9017894665	 1.1822147314	 1.4568731037	 0.112674
+H	-0.1787800556	-0.2199428807	 1.0048464606	 0.118608
+H	 3.6066610861	 0.2999015337	 2.37980661	 0.104806
+H	 3.4157036777	-2.4797212306	 3.2129226031	 0.10739
+H	 2.0413951788	-2.949828612	 0.6059968477	 0.103812
+H	 0.4768460454	-1.9008716955	 2.6910466842	 0.28288
+19
+0 3676	2.4873328	1.4727394	1.1604339	0.8102	75.8	-0.24281	0.06137	0.30418	1135.294	0.15533	-422.508713	-422.499888	-422.498943	-422.541968	33.28
+C	 0.0980355551	 0.3506817747	-0.0606389594	-0.417321
+C	 1.0266224289	-0.8255053175	 0.0947229	-0.023811
+O	 2.0821988269	-0.9556023861	-0.8773408553	-0.306885
+C	 2.4294409689	-0.69145629	 0.4793284651	 0.414882
+C	 3.1829793998	 0.5159563081	 0.9764494235	-0.149065
+C	 4.6630601302	 0.2907116046	 0.7983264216	-0.296354
+C	 3.9660440942	-0.4012173694	 1.9306929705	-0.050845
+C	 3.2353605481	-1.6411893886	 1.4052785868	 0.013861
+O	 2.4809858769	-2.2529562565	 2.4296200765	-0.432946
+H	-0.4778951737	 0.5073340353	 0.8578319808	 0.125008
+H	 0.6568252083	 1.262387496	-0.2854150579	 0.127731
+H	-0.6103762243	 0.1746129767	-0.8767937236	 0.128779
+H	 0.5330930626	-1.7708177529	 0.3324085287	 0.075222
+H	 2.768460376	 1.4999240375	 1.1580653895	 0.091876
+H	 5.0317947929	-0.2769574492	-0.0525074204	 0.11978
+H	 5.2918379322	 1.1294561098	 1.0784790225	 0.117409
+H	 4.2097675999	-0.2455488411	 2.9727983516	 0.10135
+H	 3.8693496967	-2.3716313641	 0.8815591702	 0.074229
+H	 2.0393051104	-3.0223572674	 2.0569431293	 0.287099
+19
+0 3677	2.4718999	1.471605	1.1498688	3.3493	75.32	-0.24692	0.07284	0.31976	1144.9052	0.154687	-422.49819	-422.489395	-422.488451	-422.531404	32.967
+C	 0.7263608283	-2.2162882697	 4.1013640106	-0.418679
+C	 0.4261021495	-1.935138754	 2.6511862835	-0.025726
+O	-0.9125128842	-1.5093949363	 2.3375192666	-0.290666
+C	 0.1445365674	-0.5941147585	 2.1291195051	 0.426924
+C	 0.2869074337	 0.7514480808	 2.8139390271	-0.091586
+O	-0.5535922528	 1.6762592503	 2.1029685607	-0.24381
+C	 0.7174861983	 1.3601167726	 1.5396006601	 0.027751
+C	 0.5572499823	 0.0341691444	 0.7639401836	-0.122858
+C	 1.8264524182	-0.5275298509	 0.1358691407	-0.413249
+H	 0.2993040945	-3.1796618797	 4.3984641991	 0.133254
+H	 1.8078544698	-2.2624950177	 4.269443436	 0.12248
+H	 0.3017149698	-1.4437789932	 4.7471962379	 0.12862
+H	 0.8245235189	-2.6675061293	 1.9464554722	 0.090651
+H	 0.5312887569	 0.99333799	 3.84151733	 0.106326
+H	 1.4138208225	 2.1709657953	 1.3595884431	 0.106633
+H	-0.2639954026	 0.0758521297	 0.0429304603	 0.100006
+H	 2.6495306113	-0.5590167126	 0.8580753077	 0.1154
+H	 1.665536307	-1.5446026115	-0.2346640095	 0.127429
+H	 2.1467490113	 0.0867117804	-0.7123932146	 0.1211
+19
+0 3678	2.7664522	1.5485548	1.1463961	2.9599	75.39	-0.23697	0.06158	0.29855	1087.9138	0.156734	-422.505772	-422.497496	-422.496552	-422.538214	32.684
+O	-0.3259824087	-1.7858330694	 2.727434427	-0.440411
+C	-1.2070689241	-0.7731098667	 3.1067401045	 0.034167
+C	-2.5785405093	-0.7180025652	 2.476684434	-0.376206
+C	-1.5419419743	 0.3299352526	 2.1466419466	 0.282288
+C	-1.5992648651	 1.8273286684	 2.396899007	-0.14385
+C	-2.3393142343	 2.4721018179	 1.2593260293	-0.285522
+C	-0.9046524011	 2.0687036422	 1.0471736717	-0.087115
+C	-0.7802285281	 0.558833132	 0.8194464808	 0.045984
+O	 0.5700485862	 0.0909304125	 0.8354922187	-0.436542
+H	 0.2253528504	-1.4311732142	 2.0149313646	 0.294738
+H	-1.1356362089	-0.5125878642	 4.162745801	 0.088361
+H	-2.7892212221	-1.4711045478	 1.7239730564	 0.117853
+H	-3.4254556045	-0.4248486801	 3.089496661	 0.108969
+H	-1.4429669945	 2.3233234346	 3.3477179542	 0.090892
+H	-3.1422141647	 1.9342599761	 0.7612183623	 0.115685
+H	-2.5024674384	 3.5419864699	 1.3439740628	 0.115603
+H	-0.1359911137	 2.7840184476	 0.777491216	 0.092348
+H	-1.2171114349	 0.1466859177	-0.0948527846	 0.094366
+H	 1.0424441601	 0.6016086964	 1.5047391466	 0.288392
+19
+0 3679	2.6847266	1.4580016	1.0684879	2.9	78.32	-0.23867	0.00692	0.24559	1167.2434	0.155898	-422.550263	-422.541396	-422.540452	-422.583603	33.343
+C	 0.0835767222	 0.0249767328	-0.35017362	-0.424144
+C	 1.0874691105	 0.453075247	 0.6891702123	 0.003245
+O	 2.3365098237	 0.9755639751	 0.2211279425	-0.286035
+C	 2.34501168	-0.2516410736	 0.9708410736	 0.387417
+C	 2.8787568454	-1.4686924642	 0.3038520935	-0.145133
+C	 3.9333451353	-1.9473262927	 0.9676987187	-0.07687
+C	 4.265605812	-1.1236986826	 2.1900551571	-0.310465
+C	 2.9965593174	-0.2507651227	 2.3651533099	 0.023911
+O	 3.204225304	 1.0701788721	 2.8096073691	-0.421609
+H	-0.6968972013	-0.5970237603	 0.1017095051	 0.119835
+H	-0.4017117992	 0.9014266749	-0.7924992296	 0.129486
+H	 0.5586655902	-0.539415814	-1.1560310148	 0.124714
+H	 0.6729883218	 1.0279846973	 1.5211495372	 0.088418
+H	 2.4795661629	-1.8614352703	-0.6224036326	 0.10183
+H	 4.5142699435	-2.8136253935	 0.6711443004	 0.100386
+H	 4.4846405457	-1.7339543256	 3.073492526	 0.098693
+H	 5.1392907536	-0.4832268027	 2.011327278	 0.124801
+H	 2.3066741174	-0.7849443018	 3.0386057712	 0.075176
+H	 3.457008105	 1.0346051947	 3.7370014426	 0.286344
+19
+0 3680	2.6405752	1.5396508	1.1659615	2.0774	77.79	-0.22428	0.02079	0.24507	1092.4669	0.157223	-422.553944	-422.545576	-422.544632	-422.586471	32.958
+O	 0.821990998	 1.5406061216	 3.548228949	-0.428066
+C	-0.3356057972	 0.7633425506	 3.7534772829	 0.006566
+C	-0.3692111888	-0.6382660404	 3.2067513818	-0.3692
+C	-1.1270210044	 0.4868907243	 2.5146160534	 0.296247
+C	-2.6069728639	 0.4867317483	 2.3886226646	-0.149439
+C	-2.9740026594	 0.6013062546	 1.1095392792	-0.087753
+C	-1.778006686	 0.6973029781	 0.1884598375	-0.286927
+C	-0.6352307761	 1.0451545837	 1.161576719	 0.078808
+O	 0.6098749304	 0.5583804478	 0.7131350372	-0.441542
+H	 1.5022397401	 1.2213369177	 4.1510489234	 0.291175
+H	-0.8619216189	 0.9764979747	 4.68394483	 0.088268
+H	 0.5162367775	-0.9935557378	 2.68994178	 0.121319
+H	-0.9364485732	-1.3927631207	 3.7415194326	 0.109917
+H	-3.2757149161	 0.3676779808	 3.2342146026	 0.092606
+H	-3.9964027067	 0.5925571579	 0.7497386523	 0.093344
+H	-1.5702451754	-0.2653880427	-0.2989996399	 0.117652
+H	-1.8903185393	 1.4418912577	-0.6057167558	 0.103902
+H	-0.5948318439	 2.1397904466	 1.2673524498	 0.080621
+H	 1.2634083533	 0.9220260372	 1.3231386004	 0.282501
+19
+0 3681	2.6849802	1.2186143	1.0491299	3.9246	76.47	-0.23576	-0.0168	0.21896	1214.2369	0.154331	-422.546723	-422.53736	-422.536415	-422.581041	34.604
+C	-1.0983145594	-2.1296569239	 1.1867324089	-0.409822
+C	-1.0236400791	-1.1303070892	 0.0378663074	-0.183781
+C	 0.1236381615	-0.0958334421	 0.0796738851	 0.401005
+O	 1.3001818357	-0.188667445	 0.2774779762	-0.297558
+C	-0.8348339603	 1.0868276356	-0.1488270148	-0.424532
+C	-1.9879607417	 0.0776743387	-0.0198944684	 0.321168
+C	-3.347346953	 0.1726356597	-0.6591248632	-0.397212
+C	-3.1878752148	 0.3028723291	 0.8399119419	 0.045215
+O	-3.2817950757	 1.559171717	 1.4440504632	-0.418939
+H	-0.2116447504	-2.7702631559	 1.1831822737	 0.136534
+H	-1.1406759134	-1.6180868086	 2.1531490168	 0.126664
+H	-1.9810358439	-2.7721697754	 1.1029460293	 0.116605
+H	-0.9955888728	-1.6604113396	-0.9242288627	 0.101076
+H	-0.7968813112	 1.874091037	 0.6088138802	 0.148742
+H	-0.7209272855	 1.5449765767	-1.137357216	 0.127544
+H	-3.5713913579	 1.0801724886	-1.2116543304	 0.1159
+H	-3.8076307218	-0.7290957031	-1.0523680242	 0.112332
+H	-3.5342621621	-0.5294746191	 1.4536642928	 0.088275
+H	-4.2087309941	 1.8193575194	 1.4564711241	 0.290785
+19
+0 3682	2.9373111	1.2382628	1.0345086	2.5635	76.9	-0.24244	-0.02751	0.21492999999999998	1206.3959	0.154543	-422.547845	-422.538396	-422.537452	-422.582208	34.562
+C	-3.8508388464	-1.3799972485	 1.4825249018	-0.417502
+C	-3.3800880227	-0.1312084201	 0.7691741918	-0.071646
+C	-3.2099758984	-0.1288406134	-0.7368004032	-0.34469
+C	-2.0105308988	-0.0746567627	 0.1658377344	 0.291167
+C	-0.9476631682	 1.0376683727	 0.1844474207	-0.427249
+C	 0.0493674476	-0.0594123707	-0.2424045983	 0.34025
+O	 1.0473934882	-0.0671229719	-0.9037527407	-0.295535
+C	-0.9205829271	-1.1800552648	 0.1890767456	-0.014385
+O	-1.0303051786	-2.3391088394	-0.5812429998	-0.421616
+H	-3.5365689767	-1.3829643625	 2.5323467009	 0.116252
+H	-4.9432918748	-1.4568514174	 1.462364182	 0.119519
+H	-3.4420906903	-2.2772788126	 1.0076139231	 0.137997
+H	-3.7388907834	 0.8027696557	 1.1968740029	 0.085844
+H	-3.3914361732	-1.0634290811	-1.2603898197	 0.118767
+H	-3.4815924163	 0.7636554892	-1.2915193892	 0.112863
+H	-1.0548946852	 1.8695507301	-0.5156872803	 0.132045
+H	-0.7362034459	 1.4338812396	 1.1838111291	 0.129192
+H	-0.7182814187	-1.4939197873	 1.2216122373	 0.115151
+H	-0.8259025811	-2.1115844449	-1.4955792085	 0.293576
+19
+0 3683	2.8168467	1.2152424	1.0581711	4.1836	76.09	-0.26757	0.01198	0.27954999999999997	1223.1088	0.155218	-422.57213	-422.562922	-422.561978	-422.606043	33.714
+C	-3.8356660955	-1.1963310522	 1.4793554385	-0.411204
+C	-3.2906228628	 0.0270315986	 0.7767309557	-0.079505
+C	-3.321310954	 0.1399544139	-0.7475018548	-0.363094
+C	-2.0352235871	-0.0348782252	-0.018197902	 0.454456
+O	-1.0576137046	 1.0394108483	 0.0379033938	-0.270759
+C	-0.0201002228	 0.1458222877	-0.0865184736	 0.449259
+O	 1.1430432137	 0.3848763619	-0.1399502777	-0.326829
+C	-0.9338086931	-1.086997909	-0.1355641134	-0.291175
+C	-0.8459813114	-1.9438896452	-1.3925765647	-0.40957
+H	-3.3927448716	-1.3151501855	 2.4740492985	 0.126616
+H	-4.9215145353	-1.1266682955	 1.602260409	 0.127586
+H	-3.6266160545	-2.1083755109	 0.9101284713	 0.117404
+H	-3.4410491021	 0.967955681	 1.2999808122	 0.108147
+H	-3.7029145613	-0.7021422553	-1.3176369428	 0.119849
+H	-3.5240157516	 1.1131141656	-1.1808283516	 0.132905
+H	-0.8226853309	-1.6973900786	 0.7662584345	 0.11574
+H	-1.6190558636	-2.7185459948	-1.3928267228	 0.124152
+H	-0.9704290119	-1.337228475	-2.2940163496	 0.133771
+H	 0.1285565706	-2.4373062097	-1.4448871005	 0.142252
+19
+0 3684	2.7906969	1.1903398	1.010114	2.2133	76.31	-0.2408	-0.02636	0.21444	1250.1208	0.153632	-422.549203	-422.539741	-422.538797	-422.583591	34.456
+C	-4.0611083727	 1.1895733141	 1.2235933151	-0.418381
+C	-3.3780946991	-0.0433936163	 0.6939490049	-0.018151
+O	-3.2100384527	-0.1315061398	-0.7354919057	-0.295304
+C	-2.0522707146	-0.0201048467	 0.0700959358	 0.409878
+C	-1.0437466432	 1.1376165436	-0.0309020435	-0.44677
+C	 0.0520415049	 0.0895415667	 0.2481301081	 0.394897
+O	 1.2077406972	 0.1573312421	 0.5501648264	-0.296866
+C	-0.9360863723	-1.0866558175	 0.1038021049	-0.185199
+C	-0.9151081807	-2.1802373294	 1.1635216872	-0.413888
+H	-3.9063661249	 1.2791755568	 2.3044096047	 0.124782
+H	-3.6766836804	 2.0900940499	 0.7381191396	 0.129892
+H	-5.1396238769	 1.1371993401	 1.0428681266	 0.134334
+H	-3.698456285	-0.9834222237	 1.1470509367	 0.09391
+H	-0.9769233499	 1.5603450408	-1.0392458478	 0.145081
+H	-1.1180932138	 1.9554055533	 0.6907901651	 0.135344
+H	-0.8260749818	-1.5187888561	-0.900876711	 0.11873
+H	-1.7033239292	-2.9183142909	 0.9862121228	 0.127253
+H	 0.0473154889	-2.6999204806	 1.1495375862	 0.139198
+H	-1.0556036739	-1.7631825166	 2.1655880439	 0.12126
+19
+0 3685	2.9821347	1.1576778	0.9693485	2.3831	78.09	-0.23216	-0.02691	0.20525000000000002	1270.7969	0.15487	-422.550792	-422.541241	-422.540297	-422.585524	34.401
+C	-2.3318200875	 2.6785790583	 1.5341203674	-0.407257
+C	-1.1295688741	 2.2564101096	 0.7226435933	-0.046349
+C	-1.1405942109	 2.3299225112	-0.7702294786	-0.340426
+C	-1.1829843357	 0.9741096516	-0.1016076574	 0.213259
+C	-2.2535910891	-0.1348370441	-0.1195565603	-0.357633
+C	-1.1272236433	-1.1926670504	 0.1016186243	 0.041941
+O	-1.1009662723	-2.2641206511	-0.806702991	-0.435134
+C	-0.1022769826	-0.0582958873	-0.1317723411	 0.308552
+O	 1.0779140753	-0.0577497044	-0.3603513613	-0.330611
+H	-2.3678257173	 2.1596462545	 2.4980432622	 0.123598
+H	-2.3017726039	 3.7547585278	 1.7357030036	 0.127783
+H	-3.2647887381	 2.4660192905	 1.0029603088	 0.122216
+H	-0.1672356891	 2.4341416469	 1.1965522481	 0.10588
+H	-2.0535629056	 2.6591871224	-1.2572864536	 0.121132
+H	-0.2230565235	 2.5810367851	-1.292327044	 0.134347
+H	-3.0202546439	-0.0944023063	 0.6563659908	 0.108924
+H	-2.7246944691	-0.2656405517	-1.0962947119	 0.122948
+H	-1.0982755958	-1.5386871653	 1.147752965	 0.090202
+H	-0.1742536235	-2.4858846671	-0.9565613642	 0.296628
+19
+0 3686	2.5476507	1.3231058	1.0676783	1.4426	78.45	-0.24139	-0.02682	0.21456999999999998	1217.5844	0.154218	-422.543258	-422.533797	-422.532853	-422.577673	34.187
+C	-2.4616398504	-2.6523934587	 1.3485739266	-0.40198
+C	-1.1984236696	-2.3482538575	 0.5755754709	-0.075977
+C	-1.2197268632	-2.250013398	-0.9311505155	-0.358804
+C	-1.0611650364	-1.0063762719	-0.1009515502	 0.321713
+O	-2.0478595308	 0.0264130119	-0.0200357798	-0.336659
+C	-1.0392992772	 1.0793653496	 0.0403045903	 0.032606
+C	-1.1086374392	 1.9153701881	 1.3033330919	-0.403917
+C	 0.0503995991	-0.0092448196	-0.0416441852	 0.265753
+O	 1.2461133419	-0.0393946121	-0.0385578241	-0.306216
+H	-2.3790141671	-2.3084608595	 2.3844976523	 0.124277
+H	-3.3231895673	-2.1497363256	 0.9013880137	 0.135877
+H	-2.6590945773	-3.7292449732	 1.3641109996	 0.122892
+H	-0.2754697885	-2.7237081333	 1.0113856939	 0.107977
+H	-0.3618406187	-2.5891414406	-1.5023016799	 0.132435
+H	-2.1804604544	-2.357546873	-1.4250895303	 0.131719
+H	-1.084128602	 1.7058826823	-0.8600551062	 0.10962
+H	-1.0463697827	 1.2840104917	 2.1940440652	 0.128543
+H	-0.2795109108	 2.6295724391	 1.3210997478	 0.135861
+H	-2.0485930652	 2.4737544503	 1.3385479791	 0.134278
+19
+0 3687	2.6381826	1.2313393	1.0295866	2.3043	78.3	-0.23048	-0.01744	0.21303999999999998	1235.3647	0.154987	-422.55025	-422.540869	-422.539924	-422.584801	34.248
+C	-1.0380168589	 2.003395575	 1.3622066905	-0.398637
+C	-1.0043529557	 1.1402727055	 0.104831644	-0.092799
+C	-2.1447177255	 0.0814948543	-0.106008239	-0.347664
+C	-1.0868154284	-1.0293721416	-0.1080784299	 0.19424
+C	-1.0272908015	-2.3388885836	-0.8714783765	-0.359894
+C	-1.1677042269	-2.3839160247	 0.6021605461	 0.058982
+O	-2.4003794759	-2.7964605024	 1.0954233365	-0.407476
+C	 0.0056338303	-0.0316637662	 0.1045923113	 0.330536
+O	 1.1954481604	-0.110758821	 0.2559601337	-0.328925
+H	-1.2024646766	 1.3928683341	 2.2570584179	 0.112006
+H	-0.0888084501	 2.5324039792	 1.4895783752	 0.136312
+H	-1.8404214393	 2.7462293783	 1.3105918449	 0.120273
+H	-0.8551096458	 1.7693588313	-0.7804095626	 0.101609
+H	-2.8541975119	 0.0197234972	 0.7244487356	 0.09779
+H	-2.7066672943	 0.1944358436	-1.0355617116	 0.110045
+H	-1.9081599139	-2.5932438843	-1.4516304868	 0.134076
+H	-0.0741693347	-2.6119325718	-1.3116614637	 0.136228
+H	-0.2954311462	-2.6597688285	 1.1939302269	 0.110192
+H	-2.521571305	-2.4096700344	 1.9693009074	 0.293104
+19
+0 3688	2.6752853	1.2600432	1.0971394	3.0627	77.36	-0.23944	-0.03876	0.20067999999999997	1212.6421	0.154305	-422.54671	-422.537289	-422.536345	-422.581264	34.078
+C	 0.1113018321	-3.0011226331	-1.2399516797	-0.428054
+C	-1.0610251051	-2.4030943341	-0.5095322497	-0.012351
+O	-0.9234666829	-2.218036294	 0.9001302731	-0.278058
+C	-1.0176670463	-1.0550434493	 0.0997635334	 0.326338
+C	-2.0948851065	 0.03827903	 0.1981633245	-0.368532
+C	-1.0068002446	 1.1232709635	-0.1087508703	-0.09969
+C	-1.1105019048	 1.8802422831	-1.4317002667	-0.399863
+C	 0.0617603169	 0.0039370564	-0.0711960544	 0.333095
+O	 1.2570556095	-0.01389103	-0.1517110084	-0.31272
+H	 1.0416954455	-2.5239112185	-0.9256324418	 0.159984
+H	 0.1751768461	-4.0752405578	-1.0368584134	 0.131328
+H	-0.0070599504	-2.8697297428	-2.3207370005	 0.122359
+H	-2.0503840493	-2.7583346337	-0.8056977661	 0.098716
+H	-2.8993699061	-0.033200722	-0.5375581851	 0.112222
+H	-2.5287420475	 0.1172813453	 1.1971945875	 0.124551
+H	-0.8606249521	 1.8262585371	 0.7183591425	 0.108812
+H	-1.2693763099	 1.193822642	-2.2704579589	 0.119421
+H	-1.9460497117	 2.5866942528	-1.4132669138	 0.124502
+H	-0.191460123	 2.440822925	-1.6262041623	 0.137941
+19
+0 3689	3.1507257	1.1626729	0.9876605	1.7814	78.32	-0.24684	-0.00343	0.24341000000000002	1247.2316	0.156082	-422.555146	-422.546305	-422.545361	-422.589046	33.26
+C	 0.103229317	 0.4096189094	-0.0081128833	-0.421184
+C	 1.0298903424	-0.7786889128	-0.0240927927	-0.005981
+O	 2.1868130892	-0.7177997451	 0.8152148152	-0.301027
+C	 2.3849809087	-0.7476012643	-0.610800199	 0.402635
+C	 3.0461760799	 0.4569344383	-1.2852685727	-0.349428
+C	 3.9473752381	-0.1327983789	-2.4073220221	 0.080754
+O	 3.5094668312	 0.1857255495	-3.7280412272	-0.430367
+C	 3.9147802778	-1.6227261718	-2.1439836888	-0.1254
+C	 3.0433748301	-1.949922498	-1.1897313506	-0.136137
+H	-0.5028978009	 0.405103831	 0.9039251943	 0.131187
+H	 0.6598991746	 1.3488719795	-0.0408461497	 0.131082
+H	-0.5802446009	 0.3754805053	-0.8637593543	 0.120529
+H	 0.5248692345	-1.7480149025	 0.0012954568	 0.082562
+H	 2.3346793538	 1.1652662491	-1.7165750643	 0.111821
+H	 3.6389593484	 0.9949750362	-0.5404813138	 0.124729
+H	 4.9627567112	 0.2735970153	-2.3622025237	 0.095159
+H	 2.6800214222	-0.2827871041	-3.8757992378	 0.27423
+H	 4.5101396446	-2.314887153	-2.72859653	 0.106483
+H	 2.8146674681	-2.9496519331	-0.8381987864	 0.108354
+19
+0 3690	2.9050701	1.3706653	1.092666	2.6847	79.25	-0.21605	0.00773	0.22377999999999998	1158.9077	0.155669	-422.543085	-422.534406	-422.533462	-422.576334	33.32
+C	 0.5480074071	-0.2528147823	-0.561930556	-0.39249
+C	 0.9071402523	 0.097744703	 0.881701634	 0.072052
+O	 2.1175610286	-0.5846240687	 1.2721583953	-0.333366
+C	 3.0986116796	 0.3650700711	 1.6580126021	 0.376312
+C	 4.112701985	-0.0853999134	 2.686661847	-0.387132
+C	 4.5021752645	 0.0027694103	 1.2236300052	 0.073678
+O	 4.6491518406	-1.1561426936	 0.4690391291	-0.433594
+C	 2.4647518658	 1.6917817518	 1.555159674	-0.171974
+C	 1.2159067095	 1.5548815107	 1.1177906768	-0.112874
+H	 0.4270399381	-1.3345576226	-0.6698690312	 0.125953
+H	-0.393941686	 0.2264617257	-0.8488135789	 0.11634
+H	 1.3333590336	 0.0843269927	-1.2447213102	 0.125541
+H	 0.0999141284	-0.2524403526	 1.544051595	 0.090461
+H	 4.5058251749	 0.6486348466	 3.3831513122	 0.112394
+H	 3.9675445316	-1.0821068795	 3.0897225456	 0.127459
+H	 5.1807214547	 0.7947184978	 0.9166742814	 0.096634
+H	 3.7515941458	-1.4767153542	 0.2982587087	 0.291926
+H	 2.9783351248	 2.6118264485	 1.8011491525	 0.114255
+H	 0.4988892713	 2.3435321387	 0.9304407075	 0.108426
+19
+0 3691	3.8734382	1.030576	0.9364342	2.2887	78.95	-0.22406	0.02036	0.24442	1285.4904	0.15635	-422.550477	-422.541648	-422.540704	-422.584099	33.654
+O	-4.7173045891	 0.4131877997	 2.8098063704	-0.419824
+C	-3.3980404025	 0.5800622638	 3.2412817101	 0.057967
+C	-2.817720614	 1.9654497726	 3.3407964515	-0.385071
+C	-2.3966838166	 1.0373434832	 2.210592413	 0.305848
+C	-0.9877527808	 0.4406637313	 2.1177074168	-0.343346
+C	-0.7969441029	 0.0635777856	 0.619434239	 0.071515
+O	 0.4445746678	 0.4994410397	 0.072339567	-0.43397
+C	-1.9382367205	 0.7720871818	-0.0644746331	-0.092857
+C	-2.8113004094	 1.2798393905	 0.8039477406	-0.112399
+H	-5.2998031392	 0.7162737584	 3.5143493359	 0.287777
+H	-3.0534191484	-0.1638823201	 3.9617463735	 0.08277
+H	-3.4710629555	 2.7929177187	 3.0821152048	 0.113556
+H	-2.0984299586	 2.1765162256	 4.1262308001	 0.110196
+H	-0.2365477032	 1.2004169504	 2.3584083764	 0.112178
+H	-0.840847322	-0.4070083382	 2.7940578377	 0.092063
+H	-0.8921848725	-1.0254720971	 0.4739227786	 0.070504
+H	 1.1342296034	-0.0826583795	 0.4062464722	 0.280157
+H	-2.016889726	 0.8065832005	-1.1443344765	 0.098664
+H	-3.7352368501	 1.786351143	 0.554751962	 0.104272
+19
+0 3692	3.6898066	0.9671919	0.8728097	2.8242	77.14	-0.23631	-0.03434	0.20196999999999998	1370.3831	0.154285	-422.527846	-422.518524	-422.517579	-422.562971	33.389
+C	 2.7810994587	-1.1274842906	 1.1869002598	-0.403377
+C	 1.7020356291	-0.2738958851	 0.5579498829	-0.07608
+C	 1.6847292687	-0.0461385999	-0.9521601994	-0.364796
+C	 2.0442732345	 1.0615818885	-0.0189454909	 0.452778
+C	 1.4102702646	 2.4310247942	 0.1927006138	-0.386328
+C	 2.8843558077	 2.9264206656	 0.2319442942	 0.046672
+O	 3.3796791507	 1.5856210669	 0.0399472776	-0.314187
+C	 3.3163393272	 3.5091788631	 1.561112573	 0.139022
+O	 3.3909855177	 4.6886429682	 1.7859305299	-0.239563
+H	 2.8804581833	-0.9124044018	 2.2562992648	 0.118276
+H	 2.5558988572	-2.1934544247	 1.0778173626	 0.118936
+H	 3.7509932739	-0.9320606514	 0.7216214479	 0.134135
+H	 0.724742589	-0.3387830655	 1.0323802849	 0.087725
+H	 2.4980967133	-0.4792244625	-1.5263583869	 0.125064
+H	 0.7317138138	-0.0066253392	-1.4703681757	 0.114293
+H	 0.8235622003	 2.8238742471	-0.6387075226	 0.128462
+H	 0.8510574192	 2.553267269	 1.1235223438	 0.123216
+H	 3.1722744937	 3.6013292278	-0.5804012449	 0.107883
+H	 3.5389000574	 2.7363773503	 2.3322829651	 0.087868
+19
+0 3693	4.763029	0.8097322	0.7672714	2.4214	78.2	-0.25256	-0.02628	0.22628	1502.4798	0.154528	-422.539214	-422.53005	-422.529105	-422.573745	33.232
+C	-0.7484294652	-0.4712894707	-0.0971987875	-0.416167
+C	-0.5984813659	-1.9145849178	-0.4977169003	-0.027178
+O	 0.1203612701	-2.7714415878	 0.4135501022	-0.292883
+C	 0.6856326628	-2.5249791713	-0.8560797376	 0.455305
+C	 0.9758383726	-3.5982153499	-1.9055894954	-0.346102
+C	 2.1270972358	-2.6802977696	-2.4419250641	-0.066587
+C	 2.0391086904	-1.8586921772	-1.1101200529	-0.344907
+C	 3.4389697317	-3.3592396517	-2.7134540217	 0.163911
+O	 4.0681571259	-3.2791232639	-3.7363771578	-0.251398
+H	-1.5004011142	-0.3695225503	 0.6920037236	 0.134482
+H	 0.1947431216	-0.066300392	 0.2780374324	 0.128633
+H	-1.0752926175	 0.1319524361	-0.9513169797	 0.12367
+H	-1.4974739911	-2.3805715748	-0.90681885	 0.092864
+H	 1.3677415581	-4.5096356763	-1.4404455287	 0.120779
+H	 0.186295446	-3.8684336201	-2.6094860635	 0.119791
+H	 1.8309009953	-2.0985036496	-3.3158526758	 0.096551
+H	 2.7859263934	-2.1875747136	-0.3791366832	 0.121014
+H	 2.0815664616	-0.7711989974	-1.1966307649	 0.119672
+H	 3.8079747587	-3.9751522521	-1.8567748154	 0.06855
+19
+0 3694	4.423435	0.8316988	0.7815102	4.1313	78.11	-0.2421	-0.02073	0.22137	1466.4905	0.155067	-422.533856	-422.52473	-422.523786	-422.568395	33.483
+O	 2.4305500597	 4.4500850293	-2.8495974992	-0.418545
+C	 2.9560327819	 4.4045144082	-1.55599786	 0.048005
+C	 4.2823388297	 3.7204270511	-1.3079958729	-0.404852
+C	 2.9913743653	 3.0599104331	-0.9043627075	 0.357416
+C	 2.4552299446	 2.723120843	 0.488659411	-0.334769
+C	 1.496303118	 1.6774587306	-0.1778128625	-0.0549
+C	 2.3320880138	 1.8130582252	-1.4971291074	-0.318902
+C	 1.4715732999	 0.3151894114	 0.4518528152	 0.160791
+O	 0.4834483315	-0.283249633	 0.7919733456	-0.254075
+H	 2.9575177994	 5.0680016765	-3.3668136767	 0.290557
+H	 2.7056398755	 5.2600644993	-0.9263303623	 0.08556
+H	 4.7943605004	 3.3126885705	-2.1746337474	 0.115289
+H	 4.9340161794	 4.1164295828	-0.5348023308	 0.11272
+H	 3.2070725853	 2.2434522669	 1.1259920837	 0.106252
+H	 1.9739662773	 3.5229916427	 1.0568922542	 0.113067
+H	 0.4756311209	 2.0473250394	-0.2844499149	 0.096892
+H	 3.0316099676	 0.9805101751	-1.6319802138	 0.103478
+H	 1.7618350358	 1.9531029791	-2.4162980067	 0.132955
+H	 2.4878009339	-0.1300899515	 0.5916907825	 0.063061
+19
+0 3695	3.2123284	1.3297609	1.0873073	2.827	76.62	-0.23086	0.06346	0.29432	1156.762	0.154951	-422.495679	-422.487023	-422.486079	-422.528516	33.569
+C	-0.1233323073	 1.9130804101	-4.6484052026	-0.488217
+C	-0.0025485041	 0.5699178943	-4.0101649586	 0.463177
+C	-0.444978161	-0.7533557842	-4.554533539	-0.335793
+C	-0.9198475495	-0.3052547116	-3.1798430592	-0.283228
+C	 0.2388629766	-0.3872375803	-2.2273000402	 0.415233
+C	 0.8013496235	-1.4285437232	-1.3100093401	-0.396302
+C	 0.3522069234	-0.070629406	-0.7731634385	 0.049554
+O	 1.3021255004	 0.8759154639	-0.4012781752	-0.433861
+O	 1.1076304084	 0.3654019005	-3.1023688087	-0.359254
+H	-0.1545911222	 2.7063322118	-3.89507828	 0.13045
+H	 0.7304041013	 2.1017115126	-5.3090793507	 0.135659
+H	-1.0339757504	 1.9673845406	-5.2514815497	 0.127837
+H	-1.2022079266	-0.7080522825	-5.3315457823	 0.114971
+H	 0.2688772223	-1.5664906068	-4.6488985951	 0.119318
+H	-1.9603007138	-0.1854427117	-2.9091371572	 0.105397
+H	 0.2004998572	-2.3033842313	-1.0821913832	 0.116199
+H	 1.8719345881	-1.5972713337	-1.3641489893	 0.128301
+H	-0.5488884946	-0.037682622	-0.1648324643	 0.097701
+H	 1.6088014183	 1.2816466996	-1.2251748362	 0.292858
+19
+0 3696	3.4724333	1.1114429	1.0718415	2.0429	76.83	-0.23995	0.07637	0.31632	1221.6277	0.154871	-422.501916	-422.4931	-422.492156	-422.535036	33.692
+C	 1.8298448948	-3.7403330379	-3.6099797463	-0.498686
+C	 0.9600869991	-3.0312664206	-2.624891153	 0.4272
+C	 0.0745119317	-1.7821753874	-2.8551275251	-0.392153
+C	 0.292885083	-1.4394540855	-1.3617412696	 0.353758
+C	-0.6362554943	-0.8187725281	-0.3513742135	-0.390912
+C	 0.6283459886	-0.1077255196	-0.7809250394	 0.027811
+O	 1.7278543298	-0.0705350948	 0.0849236021	-0.422673
+C	 1.1326098855	-2.6891475895	-1.1994995568	-0.124502
+O	 0.312647647	-3.8028295307	-1.6019914334	-0.293276
+H	 2.4520057447	-4.4824122292	-3.102737855	 0.134335
+H	 1.2237100003	-4.2601536867	-4.360998243	 0.128766
+H	 2.4807903249	-3.0334712331	-4.1345231766	 0.124139
+H	 0.5217113724	-1.047436243	-3.531233168	 0.106133
+H	-0.9504177519	-2.0003444738	-3.1667215304	 0.106939
+H	-1.5898365391	-0.4280047061	-0.6924626216	 0.113411
+H	-0.6478028234	-1.2532373817	 0.6432849742	 0.118417
+H	 0.5227121029	 0.7660884169	-1.4261347967	 0.084818
+H	 1.5168340983	 0.5301203462	 0.8074121397	 0.289024
+H	 1.9402160356	-2.8802068854	-0.5038121578	 0.10745
+19
+0 3697	3.6836067	1.0780169	1.0570561	3.4231	76.56	-0.24484	0.07799	0.32283	1249.9601	0.154238	-422.504443	-422.49554	-422.494596	-422.537758	33.457
+C	 0.1268371145	 0.447757978	 0.033017864	-0.416951
+C	 1.0713173695	-0.7265972076	 0.0268340442	-0.030291
+O	 2.2687809398	-0.5965354444	 0.8157147261	-0.287863
+C	 2.40108287	-0.6965387864	-0.5878621447	 0.449243
+C	 3.1423365923	-1.8213149891	-1.3530364981	-0.398472
+C	 3.6935276729	-0.7141269589	-2.2796583632	 0.418306
+C	 4.0524160267	-0.8068546035	-3.7260632657	-0.500631
+O	 4.4485037175	 0.1597848963	-1.4328508161	-0.281129
+C	 3.0221634807	 0.3475503858	-1.4945805235	-0.153853
+H	-0.4298646776	 0.4831138188	 0.9751893049	 0.133076
+H	 0.6705775123	 1.3895174363	-0.0747208548	 0.128394
+H	-0.5997014404	 0.3638656713	-0.782625669	 0.121398
+H	 0.5955904101	-1.7055771558	 0.1183750716	 0.090209
+H	 3.9062910762	-2.3589456783	-0.7875429172	 0.122087
+H	 2.4646279584	-2.5274296129	-1.8404492033	 0.108872
+H	 4.9426411394	-1.430591298	-3.8646251427	 0.134485
+H	 3.2362050258	-1.2549883995	-4.301731772	 0.1252
+H	 4.2664304306	 0.1859318897	-4.1302614479	 0.136195
+H	 2.6649405813	 1.3310150481	-1.7780882026	 0.101727
+19
+0 3698	3.5948274	1.077093	1.0658226	1.2591	76.49	-0.24966	0.0762	0.32586	1230.0627	0.154967	-422.509637	-422.500843	-422.499899	-422.542749	33.67
+C	 0.1071084764	-0.3845429233	-0.2852145104	-0.416614
+C	 0.9910846663	 0.3929212484	 0.6549517309	-0.031238
+O	 2.1649803801	-0.2823417692	 1.1469099695	-0.30264
+C	 2.3356882846	 0.848943432	 0.3014232548	 0.46528
+C	 3.0610166424	 2.1443204096	 0.7257877818	-0.401872
+C	 3.7905511583	 2.0966846816	-0.6289874794	 0.398141
+O	 3.9998799483	 3.2006837369	-1.4332355459	-0.460593
+C	 4.551390669	 0.8142138963	-0.7827355675	-0.343233
+C	 3.0505394584	 0.8205488914	-1.0277627082	-0.208155
+H	-0.4787289425	-1.1273226658	 0.2663291356	 0.129252
+H	-0.5941908512	 0.2849286632	-0.7953471955	 0.121682
+H	 0.7015648876	-0.90963349	-1.036871614	 0.127538
+H	 0.4622776523	 0.9601652458	 1.4245988352	 0.086469
+H	 2.3817401059	 2.9978148079	 0.7972804688	 0.114417
+H	 3.6778773689	 2.085002627	 1.6280597577	 0.103113
+H	 4.8590659359	 3.5771425146	-1.212976237	 0.287767
+H	 5.1406456038	 0.752197703	-1.6922161318	 0.115094
+H	 4.9684396365	 0.2891664246	 0.0729467394	 0.118574
+H	 2.6322545291	 0.5355291261	-1.984932484	 0.097018
+19
+0 3699	3.3766807	1.112364	1.078831	1.9915	76.73	-0.23597	0.08029	0.31626	1203.3488	0.155506	-422.504174	-422.495465	-422.494521	-422.537067	33.918
+O	-0.6432846449	 1.0201367457	 0.4536575337	-0.420802
+C	-1.8156669959	 0.2962652612	 0.6942763213	 0.020137
+C	-3.0709451706	 1.0290704269	 1.1233376654	-0.395681
+C	-2.9230414612	 0.4924051135	-0.2812029617	 0.38105
+C	-3.7336341038	-0.6128067193	-0.9930385151	-0.395552
+C	-3.6467906433	 0.2337442293	-2.2754090569	 0.407026
+O	-3.4175770699	-0.2954033679	-3.5329158848	-0.461049
+C	-4.2114933285	 1.6110642204	-2.066799001	-0.347917
+C	-2.8167899423	 1.2929871542	-1.5614480145	-0.182323
+H	-0.2978650627	 1.3174658999	 1.3018307314	 0.287551
+H	-1.6609317282	-0.7099175377	 1.0880718996	 0.082307
+H	-3.7493525954	 0.5310422418	 1.8093008947	 0.107634
+H	-2.9913016568	 2.1040636525	 1.2534589607	 0.113095
+H	-3.167750081	-1.5437829046	-1.0869518738	 0.112619
+H	-4.7366203336	-0.8314263547	-0.6090952273	 0.088164
+H	-4.269286965	-0.4427972737	-3.9587356616	 0.284011
+H	-4.2310022313	 2.2173416822	-2.9673508757	 0.110448
+H	-5.0246085004	 1.7983945655	-1.368394833	 0.102196
+H	-1.9378550952	 1.8288598048	-1.8935932314	 0.107086
+19
+0 3700	4.3005575	0.9662994	0.9098973	0.2306	76.68	-0.2565	0.05506	0.31156	1339.4772	0.154439	-422.503718	-422.49492	-422.493976	-422.538143	32.893
+C	-0.0038640424	-0.3612523497	-0.3087978624	-0.417258
+C	 0.8494271483	 0.4620884174	 0.6191502768	-0.018394
+O	 2.0478650822	-0.1581329649	 1.12419122	-0.291867
+C	 2.1801142064	 0.9542213348	 0.2559485918	 0.42509
+C	 2.926301803	 0.8893361028	-1.0884893789	-0.397557
+C	 3.5975450707	 2.2184276484	-0.7033889093	 0.436057
+C	 4.8761486948	 2.7868595806	-1.124639872	-0.26209
+O	 3.627559632	 3.3362163379	-1.5732519329	-0.264239
+C	 2.8969868544	 2.2524625793	 0.6646803579	-0.399006
+H	-0.559584888	-1.1203799245	 0.2513980773	 0.131327
+H	-0.731672528	 0.2746580145	-0.8247476628	 0.123709
+H	 0.6087648448	-0.8699215191	-1.0575965469	 0.128492
+H	 0.3027972007	 1.0257391323	 1.3784034115	 0.089681
+H	 3.604311864	 0.0355296259	-1.1725950954	 0.120485
+H	 2.3025311655	 0.9465380048	-1.9849355141	 0.120902
+H	 5.4425989805	 3.4153839725	-0.4381610911	 0.116413
+H	 5.4670794148	 2.2852263391	-1.8903444554	 0.116134
+H	 3.5596208509	 2.1304729294	 1.5261928452	 0.121184
+H	 2.2561945754	 3.1246323288	 0.8201719106	 0.120935
+19
+0 3701	3.7437794	1.1234504	1.0156074	2.706	76.77	-0.22585	0.06173	0.28758	1230.5757	0.15527	-422.495146	-422.486629	-422.485685	-422.528271	33.061
+O	 0.684814819	 0.6875141525	 0.6620863181	-0.434372
+C	-0.6958436744	 0.5160583916	 0.7034656334	 0.067456
+C	-1.3319412561	-0.1903309668	 1.8987178935	-0.394563
+C	-1.441742286	 1.2923121261	 1.7381704865	 0.39491
+C	-2.60494944	 2.2719661506	 1.6521751795	-0.453899
+C	-1.6686196677	 3.1883069806	 2.4360727934	 0.458859
+C	-1.9351313487	 4.1525134915	 3.5373247051	-0.333086
+C	-1.3151920678	 4.6209546403	 2.2238535684	-0.328772
+O	-0.6549676037	 2.1731785182	 2.5603741882	-0.338039
+H	 0.8772460286	 1.4462572188	 1.2321789595	 0.293013
+H	-1.1409615163	 0.3641845946	-0.27738945	 0.09663
+H	-2.2176218456	-0.7967530805	 1.7348605257	 0.114415
+H	-0.6554562496	-0.5479921455	 2.668355525	 0.128973
+H	-2.875872994	 2.6049335361	 0.6479038167	 0.117948
+H	-3.5019627334	 1.9663857199	 2.1964858532	 0.118036
+H	-2.9639848514	 4.4203640643	 3.7552832065	 0.118489
+H	-1.2842782605	 4.1025746926	 4.403576924	 0.129234
+H	-1.9202608982	 5.2090236707	 1.5412843579	 0.118374
+H	-0.261608484	 4.8787056947	 2.2364676956	 0.126395
+19
+0 3702	4.1791013	0.961495	0.9067923	2.4424	76.48	-0.23786	0.06724	0.3051	1324.7163	0.154752	-422.497658	-422.488629	-422.487685	-422.532203	33.337
+O	 0.4682806413	 0.5636681902	 0.250950455	-0.424019
+C	-0.8041016797	 0.490495722	 0.8261633442	 0.088554
+C	-1.9442570862	-0.2597773163	 0.1836224656	-0.397047
+C	-1.9624739334	 1.2521027809	 0.2662827857	 0.302773
+C	-2.9873881489	 2.1411318957	 0.9948546193	-0.397665
+C	-3.0733041884	 2.9703911307	-0.2938844923	 0.465296
+C	-4.2478231368	 3.5593439914	-0.936370307	-0.261645
+O	-3.2301262416	 4.3739785519	-0.3335958362	-0.267455
+C	-1.9012553239	 2.2146137764	-0.9359821702	-0.407591
+H	 0.3716783625	 0.6199896739	-0.7051564271	 0.286535
+H	-0.7049859813	 0.4320292094	 1.9059833357	 0.108489
+H	-1.7720435208	-0.706169594	-0.7928540632	 0.10799
+H	-2.6177835338	-0.8271626302	 0.8194044976	 0.115794
+H	-3.9128697484	 1.6585166613	 1.322123241	 0.106498
+H	-2.5649835094	 2.7082908767	 1.8306635663	 0.118258
+H	-4.3035636909	 3.6119152387	-2.0233277446	 0.114481
+H	-5.2078291948	 3.5552353073	-0.421038617	 0.115413
+H	-2.0826820731	 1.7936331988	-1.9295901215	 0.104326
+H	-0.9836974726	 2.8133000752	-0.9607866113	 0.121017
+19
+0 3703	4.6196906	1.0237757	0.9502074	2.9113	76.74	-0.22969	0.06101	0.2907	1290.1374	0.155146	-422.488942	-422.480297	-422.479353	-422.521859	33.213
+C	 2.4055138811	-0.4546139883	-1.2897341948	-0.426233
+C	 1.7247059709	-0.0937502694	 0.0123708489	-0.034636
+C	 2.1336979961	 1.1797207718	 0.6858454532	 0.08243
+O	 1.274023687	 1.4746916562	 1.8011793533	-0.329682
+C	 1.7324384044	 0.2666889371	 2.4526634907	 0.408855
+C	 0.8615888684	-0.4428485177	 3.4424509844	-0.389511
+C	 2.0518873234	 0.3953376046	 3.9048421497	 0.047523
+O	 1.835528848	 1.6362607076	 4.4956301604	-0.433108
+C	 2.5748828018	-0.1416411785	 1.2748255677	-0.242557
+H	 2.4307783985	-1.5396333946	-1.4348464266	 0.126103
+H	 1.8826605383	-0.011639571	-2.1436118009	 0.12575
+H	 3.4402913164	-0.0952458664	-1.3094759603	 0.117598
+H	 0.6774485115	-0.3769930782	 0.0959848295	 0.096919
+H	 2.6718203902	 2.0029029384	 0.2307158256	 0.1084
+H	-0.1228855841	-0.0200824657	 3.6144783887	 0.129171
+H	 0.9260747101	-1.5241173962	 3.5127765867	 0.116475
+H	 2.917009914	-0.1283345868	 4.305592451	 0.098168
+H	 1.6747592531	 2.2542678341	 3.7679040808	 0.294714
+H	 3.5514868409	-0.6053452072	 1.3197081918	 0.10362
+19
+0 3704	3.719519	1.0510637	1.0228301	2.3872	76.32	-0.22285	0.06283	0.28568	1257.6558	0.15506	-422.487031	-422.478322	-422.477378	-422.520059	33.385
+C	 2.054203313	 1.5150809998	-0.0746429113	-0.403398
+C	 1.501950856	 0.1118003921	 0.0490734621	-0.081167
+C	 2.3350934917	-0.9814098818	 0.7155574873	-0.376078
+C	 2.0898450465	-1.0015328665	-0.7566597655	 0.464923
+O	 3.1724178634	-0.7803229776	-1.6880306513	-0.317575
+C	 2.6760038706	-1.8404768011	-2.5090857736	 0.075791
+C	 1.3128791299	-1.5210853774	-3.0307885043	 0.060867
+O	 0.8581732512	-2.4254303959	-3.9907225105	-0.429821
+C	 1.4749066587	-2.0738541298	-1.6169784112	-0.286142
+H	 1.9408589608	 2.0689787269	 0.8634700047	 0.114474
+H	 3.1160053092	 1.4931283913	-0.334007655	 0.134698
+H	 1.5361713843	 2.0743865174	-0.8610042018	 0.117667
+H	 0.4286409865	 0.0506570407	 0.2161944177	 0.084676
+H	 3.3383261901	-0.7150559538	 1.0338075233	 0.123152
+H	 1.8397196404	-1.7191314302	 1.3388902579	 0.112025
+H	 3.3807114243	-2.5080531831	-2.9893308877	 0.116186
+H	 1.0340132481	-0.4759769345	-3.1770894606	 0.094777
+H	-0.080102126	-2.5800619973	-3.8378829416	 0.290963
+H	 1.0078802313	-2.9928806991	-1.2886587886	 0.103983
+19
+0 3705	3.7565292	1.0014795	0.9730475	0.5717	76.18	-0.23926	0.0699	0.30916	1296.9102	0.154883	-422.501364	-422.492447	-422.491503	-422.53474	33.579
+C	 0.0695243298	 0.3596603597	-0.0777091179	-0.41641
+C	 0.9912765865	-0.831619951	-0.0717204707	-0.02855
+O	 2.1904869008	-0.7166150603	 0.7250266504	-0.301856
+C	 2.3244175607	-0.817143849	-0.6818951509	 0.447253
+C	 3.0710622657	 0.263480408	-1.4922733269	-0.335062
+C	 3.8741618591	-0.8563639309	-2.1740238056	-0.121086
+C	 2.9592872442	-1.8396684328	-2.8367748559	 0.152128
+O	 3.5051274581	-2.854676443	-3.6269034625	-0.439502
+C	 3.1201952309	-1.9234822198	-1.3374000969	-0.226903
+H	-0.4748165905	 0.4315528702	 0.8698572638	 0.12986
+H	 0.6289854315	 1.2877017812	-0.2207930131	 0.126925
+H	-0.6684120269	 0.2681632098	-0.8822390054	 0.121686
+H	 0.4999317497	-1.8016524227	 0.028611275	 0.088656
+H	 2.4797549035	 0.9134865455	-2.146373102	 0.102009
+H	 3.6810436063	 0.8790498071	-0.8266372252	 0.125302
+H	 4.926069975	-0.8076324089	-2.4314732423	 0.090159
+H	 2.0179219348	-1.5142771538	-3.2745757526	 0.10302
+H	 4.3403527243	-3.1356569824	-3.2378709798	 0.285797
+H	 3.4785471566	-2.8236874471	-0.8511823314	 0.096575
+19
+0 3706	3.3037023	1.0844596	0.989529	1.8706	76.44	-0.22796	0.07386	0.30182	1253.7228	0.155332	-422.497601	-422.488697	-422.487753	-422.530935	33.859
+O	-3.8995003496	 3.3828917791	-0.4020695893	-0.421451
+C	-4.2339686719	 2.3947709883	 0.5298807303	 0.023339
+C	-3.6202602624	 2.4315661909	 1.9132769151	-0.396102
+C	-3.1552573442	 1.4288235563	 0.8823478614	 0.359267
+C	-3.2705366511	-0.1114301948	 0.8839980582	-0.33327
+C	-1.8975868195	-0.1773388705	 0.2007183334	-0.109583
+C	-0.8532923345	 0.5348140187	 1.0132211918	 0.151175
+O	 0.4834196198	 0.452286874	 0.6064767074	-0.443927
+C	-1.8050533262	 1.3714070455	 0.2055208832	-0.196187
+H	-4.3087879683	 4.2080092045	-0.1214410037	 0.28854
+H	-5.2490812864	 2.0034168314	 0.4391788527	 0.082469
+H	-2.9518602165	 3.2583887033	 2.1332656838	 0.11517
+H	-4.2168258126	 2.0854715711	 2.7517111581	 0.109917
+H	-3.34211137	-0.600498407	 1.8623011718	 0.097349
+H	-4.0865288202	-0.4687201903	 0.2492880553	 0.108683
+H	-1.6110580688	-0.8763840123	-0.5768797371	 0.084359
+H	-0.8990318751	 0.5362554641	 2.1003358537	 0.100485
+H	 0.5173586249	 0.5256719924	-0.3533188552	 0.283505
+H	-1.4633640374	 2.0556849355	-0.5625272508	 0.096261
+19
+0 3707	2.6422477	1.5650892	1.2097819	1.5109	76.04	-0.22223	0.0638	0.28603	1081.4705	0.15483	-422.49085	-422.482075	-422.48113	-422.523716	33.771
+C	 1.6909536113	-2.6550759749	-1.124626139	-0.48451
+C	 1.1124510355	-1.7505073493	-2.1730577078	 0.179594
+C	 1.032188529	-2.0960153769	-3.6551261677	-0.347108
+C	-0.2135648531	-1.7439577387	-2.9028438055	 0.058645
+O	-0.3548067912	-0.3182508073	-2.8062908345	-0.324811
+C	 0.8662729588	-0.2606866393	-2.0534603841	 0.418152
+C	 1.7918590768	 0.9182608338	-2.1258018049	-0.405363
+C	 0.9820849547	 0.6294063597	-0.8666536963	-0.003777
+O	 1.6178636707	 0.1182799179	 0.2687232004	-0.421371
+H	 1.5025292123	-3.7028520265	-1.3802682332	 0.109979
+H	 2.7760691691	-2.5251933616	-1.0435052119	 0.119264
+H	 1.2612211733	-2.4506812638	-0.1412445263	 0.141486
+H	 1.406686535	-1.4150181943	-4.4142829324	 0.113414
+H	 1.1668521033	-3.1521160121	-3.871521648	 0.10959
+H	-1.1101889959	-2.3458357488	-2.8138340989	 0.104615
+H	 2.8575998684	 0.713326512	-2.0912547264	 0.118485
+H	 1.4961467485	 1.7650525004	-2.7359558402	 0.123847
+H	 0.1275431218	 1.2797906208	-0.6770277471	 0.100132
+H	 2.1555825816	 0.8211453688	 0.6492472536	 0.289737
+19
+0 3708	2.6419751	1.5171476	1.1932886	2.5668	75.77	-0.24441	0.06245	0.30685999999999997	1090.2575	0.154971	-422.500841	-422.492064	-422.49112	-422.533837	33.594
+C	 2.0886972992	-2.3778665594	 1.9537872517	-0.496026
+C	 0.6225133116	-2.3325891387	 1.6737652314	 0.342733
+O	-0.1054035928	-3.5789204867	 1.7036171663	-0.288933
+C	-0.5701875838	-2.5034487116	 2.5277665345	-0.03921
+C	-1.4201052691	-1.5812749776	 1.636841147	-0.349352
+C	-0.1668005098	-1.4181314618	 0.7411619936	 0.280087
+C	-0.0656356025	-1.3320129154	-0.7594795316	-0.364546
+C	 0.301223856	-0.1479608038	 0.0834107203	 0.028715
+O	 1.6579690476	 0.1995790648	 0.0901053017	-0.419391
+H	 2.289024964	-3.0875226493	 2.7608197915	 0.129812
+H	 2.6459849891	-2.6971516635	 1.0669944392	 0.136747
+H	 2.4677557379	-1.3933877725	 2.2412205737	 0.111037
+H	-0.6590520536	-2.6934254391	 3.5918098155	 0.099625
+H	-2.2947861575	-2.0570912637	 1.1854606244	 0.111425
+H	-1.7170429363	-0.6500544759	 2.1292338543	 0.101884
+H	 0.7579106264	-1.8582716402	-1.231309101	 0.126947
+H	-0.9780930921	-1.292621491	-1.3449487286	 0.115959
+H	-0.3882197014	 0.6978974241	 0.0944414346	 0.085674
+H	 1.844610567	 0.6572307513	 0.9165778715	 0.28681
+19
+0 3709	2.4989323	1.5089002	1.3062234	1.117	75.71	-0.22317	0.06614	0.28931	1077.5889	0.154934	-422.492462	-422.483734	-422.48279	-422.525384	33.67
+C	 2.305545558	-0.9156232662	-1.2038178605	-0.413846
+C	 1.5636814403	-0.1127391748	-0.1575083887	-0.076485
+C	 2.0418939905	-0.0974626547	 1.293853448	-0.389673
+C	 2.166959025	 1.1161722837	 0.4289414163	 0.390006
+O	 1.4283908415	 2.3212683675	 0.6994050261	-0.316778
+C	 2.6083383389	 3.1086883605	 0.4801586157	 0.001439
+C	 3.1101187774	 2.9364018571	-0.9336200395	-0.332975
+C	 3.4240204558	 1.8880315597	 0.0975947612	 0.245617
+O	 4.7156923308	 1.4703790013	 0.3295254468	-0.447171
+H	 2.0213929199	-1.972946679	-1.1660767491	 0.117626
+H	 2.09264377	-0.5462385246	-2.2126217661	 0.12125
+H	 3.3873898607	-0.8518405162	-1.0497209487	 0.130059
+H	 0.4834474039	-0.0718703741	-0.2729447998	 0.098549
+H	 1.2940112972	-0.0757678332	 2.0788749858	 0.124649
+H	 2.9458648903	-0.6507721483	 1.535117651	 0.107917
+H	 2.7737363994	 3.969686202	 1.1154456062	 0.111008
+H	 2.4134644712	 2.7482495375	-1.7460879003	 0.117121
+H	 3.9639140492	 3.5611084415	-1.1800096073	 0.12116
+H	 4.7875943698	 1.2284070403	 1.260575833	 0.290527
+19
+0 3710	2.7077717	1.5191268	1.1933203	1.0334	76.07	-0.24574	0.06743	0.31317	1098.9981	0.155086	-422.509797	-422.500991	-422.500047	-422.542805	33.638
+C	 0.0765657103	 0.359064908	 0.0964059773	-0.406454
+C	 1.0456180986	-0.792909863	 0.0376506987	-0.029918
+O	 2.2659520552	-0.6640814186	 0.7955623421	-0.308568
+C	 2.3528319168	-0.7464933464	-0.6208050818	 0.380183
+C	 3.0559959715	-1.8740169863	-1.4117904155	-0.33501
+C	 3.6153195584	-0.7980338743	-2.3531128584	-0.103901
+C	 4.4591789281	 0.165810144	-1.5554885161	-0.346843
+C	 2.9600107285	 0.3095771954	-1.5191831302	 0.312903
+O	 2.315210802	 1.4535686365	-1.9566167745	-0.458398
+H	-0.4296754912	 0.3767420621	 1.0674961255	 0.121748
+H	 0.5872000864	 1.3097888634	-0.0580462996	 0.122251
+H	-0.6875211135	 0.2515380544	-0.6807862776	 0.122196
+H	 0.5873979479	-1.7809584023	 0.1308772053	 0.085971
+H	 3.8005178304	-2.4467295894	-0.8505212936	 0.109706
+H	 2.3514457919	-2.5623017356	-1.8853834715	 0.110577
+H	 3.6856505318	-0.871347911	-3.4299185346	 0.099563
+H	 5.0175590893	-0.1710680704	-0.685288527	 0.118671
+H	 4.9515721866	 0.9328231694	-2.1459160012	 0.113287
+H	 2.676727791	 2.206732384	-1.4774762575	 0.292035
+19
+0 3711	3.0006893	1.3264978	1.1358419	3.3334	75.8	-0.24423	0.08087	0.3251	1156.3309	0.154299	-422.505816	-422.49688	-422.495936	-422.539111	33.436
+C	 0.142465173	 0.5415164245	 0.0512707222	-0.418831
+C	 0.933485426	-0.7168458946	 0.2947388039	-0.030126
+O	 2.0126586642	-0.9963711256	-0.6173062422	-0.29061
+C	 2.3332982486	-0.7046594891	 0.7282637124	 0.399595
+C	 3.1826626768	 0.4877678234	 1.2380195427	-0.35812
+C	 3.8462761713	-0.515922025	 2.1950973114	-0.0475
+O	 4.4602893619	-1.513786556	 1.3758976351	-0.285096
+C	 3.0556225555	-1.6545699537	 1.6755828321	 0.331344
+C	 2.5848643154	-2.93986887	 2.2708622219	-0.518147
+H	-0.4582637925	 0.794271369	 0.9320565559	 0.120932
+H	 0.804148266	 1.3811012431	-0.1754526091	 0.130977
+H	-0.541325376	 0.4065717177	-0.7930971244	 0.132411
+H	 0.3377923031	-1.599120097	 0.5392463888	 0.08956
+H	 3.8622458417	 0.938231315	 0.5119348837	 0.12457
+H	 2.5868860542	 1.2614577926	 1.7300028948	 0.109465
+H	 4.255843558	-0.3489328247	 3.1843134622	 0.106243
+H	 1.6027486425	-2.8188095294	 2.7387978517	 0.12455
+H	 2.5000812865	-3.7123033166	 1.4986968846	 0.141649
+H	 3.2939583939	-3.2895382436	 3.0254896221	 0.137134
+19
+0 3712	2.48668	1.5530557	1.3302259	1.6486	75.97	-0.23571	0.07203	0.30774	1052.1066	0.155735	-422.506358	-422.497721	-422.496777	-422.539153	33.688
+O	-0.7788416263	 0.3867180814	-0.1690281283	-0.428095
+C	-1.7460563113	 0.0296899431	 0.7838039439	 0.015651
+C	-2.8699195552	 0.9972982979	 1.0892525521	-0.398966
+C	-3.1089503644	-0.2153216645	 0.2340398132	 0.294461
+C	-4.1460736424	-1.3372037769	 0.4533802485	-0.330283
+C	-4.5209698249	-1.2281745327	-1.0360059637	-0.112502
+C	-3.2939367089	-1.4833643512	-1.8864409249	-0.337871
+C	-3.4744802998	-0.1393268565	-1.2357898455	 0.358603
+O	-3.5734803571	 1.0379815746	-1.9508949592	-0.461486
+H	-0.1957846654	 1.0400621722	 0.2320717439	 0.287139
+H	-1.3832514885	-0.6014595926	 1.5957140738	 0.08324
+H	-3.2741314223	 1.0197191791	 2.0969412422	 0.108255
+H	-2.8579267793	 1.9520692188	 0.572066938	 0.118322
+H	-3.7583455914	-2.3102748661	 0.7741198754	 0.096643
+H	-4.9501948653	-1.0314688851	 1.1276849411	 0.106952
+H	-5.522127726	-1.3020252746	-1.4405687778	 0.093584
+H	-2.5214812148	-2.1757582115	-1.559015313	 0.106664
+H	-3.4816950667	-1.4778408681	-2.9556620915	 0.110431
+H	-2.6878911099	 1.2469686326	-2.2711996982	 0.289257
+19
+0 3713	3.65893	1.2763634	1.2197777	3.2144	74.7	-0.2399	0.08384	0.32374	1102.7735	0.157231	-422.520397	-422.512655	-422.511711	-422.552444	30.411
+C	 0.1366599137	 0.4247349889	 0.0559248441	-0.419568
+C	 1.0187554666	-0.794281951	-0.0254549084	-0.0481
+O	 2.2125972534	-0.7908570783	 0.7798968914	-0.306884
+C	 2.3514018659	-0.7843533009	-0.6335759759	 0.494771
+C	 3.0658800018	 0.375128743	-1.3558752452	-0.324091
+C	 3.9434375342	-0.5143046532	-2.2666089435	 0.070603
+C	 2.9586041453	-1.5719572068	-2.8174817273	-0.236675
+C	 3.0357194028	-1.9627413844	-1.3230698316	-0.01769
+O	 4.432917486	-1.5226406701	-1.3253522749	-0.29504
+H	-0.4357611768	 0.4206784104	 0.9892836122	 0.131805
+H	 0.7299388846	 1.341523014	 0.0231133474	 0.129249
+H	-0.5779471465	 0.4380731545	-0.7745806822	 0.120322
+H	 0.485469315	-1.7478415831	-0.0005757751	 0.085576
+H	 2.394347511	 1.0393027869	-1.9071790352	 0.103926
+H	 3.6686111001	 0.9633008853	-0.6609966496	 0.12723
+H	 4.7242035763	-0.0466497728	-2.8653322171	 0.084966
+H	 2.0029461907	-1.2492962432	-3.2399161406	 0.096115
+H	 3.4563155578	-2.3038833662	-3.4537629673	 0.116001
+H	 2.871649228	-2.9652374227	-0.9305008511	 0.087481
+19
+0 3714	3.4553652	1.3153911	1.2367978	1.8453	74.9	-0.24028	0.07664	0.31692	1075.31	0.157881	-422.518519	-422.510858	-422.509914	-422.550413	30.605
+O	 0.3737602381	-0.1211277905	 0.5504109031	-0.420278
+C	-0.8159076552	 0.5459127117	 0.2388560652	 0.017727
+C	-2.1489851899	-0.069117552	 0.6097054976	-0.406589
+C	-1.668783595	-0.0751872709	-0.817214409	 0.399335
+C	-1.279768815	-1.3467566396	-1.59836663	-0.305019
+C	-1.8358493258	-0.8831883539	-2.9640226128	 0.074346
+C	-1.3172063021	 0.5655544297	-3.1101298925	-0.23177
+C	-2.3305408587	 0.7063620885	-1.951531475	-0.014531
+O	-3.1422605217	-0.3299530574	-2.5933474936	-0.297065
+H	 0.5239554026	-0.0370490035	 1.4977906737	 0.288797
+H	-0.7440856897	 1.6350525679	 0.2593575854	 0.080814
+H	-2.1208615648	-1.0147921837	 1.1424074509	 0.113887
+H	-2.9654990128	 0.5894419738	 0.8910559529	 0.110141
+H	-0.2036446213	-1.5360163673	-1.6026556474	 0.118435
+H	-1.7988455383	-2.2388088053	-1.2400639216	 0.107857
+H	-1.8720958598	-1.5960201828	-3.7875172169	 0.079266
+H	-0.261535945	 0.7797005183	-2.9249907616	 0.102223
+H	-1.6756089621	 1.0365988869	-4.0257821318	 0.108227
+H	-2.8707182837	 1.6247660901	-1.7193334368	 0.074199
+19
+0 3715	3.430114	1.4126539	1.3036311	2.9253	75.23	-0.23102	0.07582	0.30684	1038.9311	0.157822	-422.516024	-422.50853	-422.507586	-422.547643	30.481
+O	 0.603664873	 0.18976462	 0.5765208972	-0.436944
+C	-0.7562276861	 0.4669497168	 0.6964981979	 0.040995
+C	-1.4200820019	 0.4471679282	 2.0724166146	-0.412774
+C	-1.6628640513	-0.6549565752	 1.0842805996	 0.448865
+O	-1.0015452004	-1.9124831528	 1.3074423178	-0.332875
+C	-1.9745161456	-2.8318068738	 0.7606611186	 0.106141
+C	-2.3985180894	-2.1594513353	-0.5678728819	-0.239114
+C	-2.9593383544	-1.1026513126	 0.4409385176	-0.150766
+C	-3.3066830771	-2.3201072768	 1.3625413726	-0.234748
+H	 0.6879650523	-0.7703542999	 0.6613624029	 0.293004
+H	-1.1007497526	 1.2060969973	-0.0231274818	 0.095111
+H	-0.7771320051	 0.2133599265	 2.9145762372	 0.125317
+H	-2.2187157471	 1.1540689038	 2.2765308296	 0.110052
+H	-1.6013524194	-3.8501410171	 0.8516740067	 0.085604
+H	-1.6037402265	-1.8518108986	-1.2510239022	 0.107975
+H	-3.1847170598	-2.7031604257	-1.0937213703	 0.103543
+H	-3.68044742	-0.3353834526	 0.1650662305	 0.078909
+H	-3.3361803463	-2.1593821335	 2.4420288229	 0.108364
+H	-4.1797145321	-2.8767324686	 1.0181486604	 0.10334
+19
+0 3716	3.279407	1.2815554	1.1651052	0.6226	74.38	-0.25973	0.08593	0.34566	1128.4173	0.156704	-422.538853	-422.530753	-422.529809	-422.571534	31.161
+C	 0.0746706796	 0.4092933523	-0.0206215703	-0.42271
+C	 0.9929441052	-0.7823192601	-0.0822192921	 0.006593
+O	 2.1328993672	-0.7782516128	 0.7938962706	-0.310963
+C	 2.3646235063	-0.7578051296	-0.6143983	 0.445594
+C	 3.0289045059	 0.4828800581	-1.226728147	-0.344546
+C	 3.6294458968	-0.0300425218	-2.517874355	 0.048231
+O	 2.6932126292	-0.7555717837	-3.3281329146	-0.260997
+C	 3.6188642875	-1.4999937424	-2.5223606039	 0.046962
+C	 3.0182464165	-2.0039997943	-1.2296975381	-0.337897
+H	-0.5827549138	 0.3355746212	 0.8519294166	 0.128651
+H	 0.6359260785	 1.3427328211	 0.0593434473	 0.127178
+H	-0.5564725944	 0.4521608465	-0.9149202563	 0.12774
+H	 0.4805511819	-1.7466249144	-0.1181707479	 0.085188
+H	 2.3279489907	 1.3052056818	-1.3916663314	 0.116541
+H	 3.8203760657	 0.8478845559	-0.5608666569	 0.117602
+H	 4.3628250747	 0.5579032482	-3.0633602486	 0.09693
+H	 4.3446857652	-2.0934729042	-3.0718819734	 0.096978
+H	 2.3056816825	-2.8204729832	-1.3783290664	 0.115191
+H	 3.8118870447	-2.3688309384	-0.5659083125	 0.117735
+19
+0 3717	3.6866153	1.2654722	1.1686762	2.761	74.58	-0.22674	0.07512	0.30186	1110.917	0.157026	-422.522438	-422.514416	-422.513472	-422.554851	31.628
+O	 0.4842292363	 0.286398232	 0.7266226522	-0.437215
+C	-0.7985440048	 0.6590765299	 0.3336601782	 0.060808
+C	-1.9582062894	-0.3155178278	 0.4733769357	-0.378175
+C	-1.8322776203	 0.8813569582	 1.3913458112	 0.37573
+C	-2.8333059188	 2.0337508879	 1.4624764257	-0.317005
+C	-3.249908846	 2.0360628432	 2.9262689401	-0.072764
+C	-3.6995840691	 0.710043229	 3.5194946152	-0.320213
+C	-2.2635239235	 1.1468802847	 3.6262567741	 0.107559
+O	-1.3441712842	 0.6192950854	 2.7001638474	-0.308209
+H	 0.5052289959	 0.3489936923	 1.6906026418	 0.297827
+H	-0.7947301595	 1.3207057545	-0.5296873385	 0.097623
+H	-2.7361912482	-0.3139587806	-0.2844509022	 0.107303
+H	-1.721303023	-1.281856745	 0.9057480171	 0.12307
+H	-2.3551509861	 2.9882853045	 1.2136102407	 0.111945
+H	-3.6666146146	 1.8850283105	 0.769296627	 0.111464
+H	-3.6021494905	 2.9601504432	 3.3685598545	 0.094001
+H	-4.2991385326	 0.7505143118	 4.4225297399	 0.114517
+H	-3.9409358738	-0.1090036356	 2.8506758259	 0.127933
+H	-1.8003616077	 1.3665882219	 4.5802324741	 0.103801
+19
+0 3718	3.7149825	1.2012301	1.1113348	1.6562	74.52	-0.24645	0.07799	0.32444	1139.5325	0.157321	-422.53524	-422.527237	-422.526293	-422.56768	31.308
+O	 0.2778800328	-0.0761691716	 0.8198644003	-0.421309
+C	-0.9040960515	 0.523974252	 0.3707694075	 0.032024
+C	-2.2263030131	-0.176165272	 0.5621570787	-0.365725
+C	-1.5721001399	-0.1220574724	-0.8034283674	 0.349617
+C	-2.1868240587	 0.7163967016	-1.9329713816	-0.332421
+C	-2.4553217856	-0.2955647576	-3.0295232443	 0.051605
+O	-3.1687818772	-1.4539187544	-2.5783828921	-0.258607
+C	-1.7437709129	-1.5437889588	-2.7267337104	 0.042586
+C	-0.9869398789	-1.3992115791	-1.4223918486	-0.306828
+H	 0.2900641737	-0.0278209611	 1.7813726159	 0.288227
+H	-0.9007650215	 1.6148204302	 0.4071175814	 0.080024
+H	-2.2100342724	-1.1304251264	 1.0793473641	 0.112651
+H	-3.1123389156	 0.4252404107	 0.7408816268	 0.108516
+H	-3.0942051806	 1.2428502475	-1.6194408968	 0.10895
+H	-1.4795016963	 1.4695317159	-2.3058022257	 0.104009
+H	-2.6816889193	 0.0285813372	-4.0424740144	 0.090322
+H	-1.3989355567	-2.2290089773	-3.4973311212	 0.090724
+H	-1.1004264334	-2.2723928533	-0.7740702682	 0.111118
+H	 0.0843221271	-1.2858094812	-1.628800144	 0.114517
+19
+0 3719	3.5401345	1.2405872	1.1628601	1.1564	75.92	-0.22957	0.05872	0.28829	1145.1869	0.156119	-422.492068	-422.483837	-422.482893	-422.524934	31.196
+C	 1.8660866238	-0.0958576018	 1.3569859735	-0.409387
+C	 1.0019885245	-0.5681924141	 0.209271725	-0.082282
+C	 0.7190591986	 0.3390457375	-0.9832907463	-0.356809
+C	 1.5804266334	-0.8666498194	-1.138074628	 0.440321
+O	 1.1716862626	-2.0175091065	-1.9041099401	-0.324717
+C	 2.5221708904	-2.2327267722	-2.3530571922	 0.061357
+C	 2.8898138873	-1.4372845962	-3.6169594703	-0.09565
+O	 3.3158953221	-0.2981224868	-2.8227918728	-0.289782
+C	 3.0262937742	-0.9895114125	-1.5933379572	-0.049883
+H	 2.2900350368	-0.9381862044	 1.9147579634	 0.119716
+H	 2.6975506468	 0.5211767294	 1.0000183774	 0.118017
+H	 1.2863872349	 0.5129583433	 2.0592480397	 0.122902
+H	 0.1792917216	-1.2237187885	 0.4849523734	 0.097954
+H	-0.2691188613	 0.2962407941	-1.4283579909	 0.12368
+H	 1.1968752231	 1.3132644991	-1.0239168258	 0.122346
+H	 2.8505180547	-3.2665532422	-2.2416940349	 0.092489
+H	 3.7250955923	-1.8454834378	-4.1995415695	 0.104265
+H	 2.0461138606	-1.2068863109	-4.2757550695	 0.115791
+H	 3.8344565837	-0.9237614301	-0.8632730448	 0.089673
+19
+0 3720	3.0265836	1.4598637	1.1546084	1.7064	75.13	-0.24099	0.05152	0.29251	1104.7381	0.156179	-422.5004	-422.492125	-422.491181	-422.533471	31.122
+C	 0.0874670982	 0.3917452492	-0.0309540756	-0.409002
+C	 1.0370642579	-0.7767791311	-0.021270453	-0.015069
+O	 2.2066788626	-0.6675763491	 0.8154734401	-0.295482
+C	 2.3837409204	-0.7141366598	-0.5903802341	 0.432499
+C	 3.2470671279	-1.7785651261	-1.2896595548	-0.349144
+C	 3.8623649401	-0.6598630189	-2.1760329568	-0.080247
+C	 3.0109309665	-0.2295345598	-3.3852394151	-0.07754
+O	 2.2667482695	 0.7318395624	-2.5965415758	-0.290089
+C	 3.0268854536	 0.4119946942	-1.4126544385	 0.006084
+H	-0.5220143567	 0.399480904	 0.8787551881	 0.123762
+H	 0.6313678301	 1.3369705157	-0.0914877112	 0.13101
+H	-0.584649305	 0.3259859343	-0.8923240171	 0.129291
+H	 0.5692279934	-1.7623807563	 0.0261276926	 0.087984
+H	 3.9726965901	-2.2172037931	-0.5991968768	 0.122848
+H	 2.7221741114	-2.5847009463	-1.8105186846	 0.105885
+H	 4.9447747435	-0.6322823557	-2.283453912	 0.08498
+H	 3.5673050803	 0.2691748375	-4.1880218416	 0.106104
+H	 2.3650223341	-1.0010049563	-3.8239236532	 0.101095
+H	 3.4090752721	 1.291853265	-0.8891693005	 0.085031
+19
+0 3721	3.6070773	1.2217803	1.124907	2.7948	75.44	-0.24479	0.06194	0.30673	1153.9959	0.156101	-422.502334	-422.494086	-422.493142	-422.535309	31.126
+C	 0.1176998665	 0.4176275587	 0.1194032076	-0.418495
+C	 0.9854473001	-0.8082924805	 0.0117512064	-0.026523
+O	 2.2085825528	-0.8060306328	 0.7701942693	-0.291214
+C	 2.2956316883	-0.8149165235	-0.6461870045	 0.432925
+C	 2.9759453591	-1.92906294	-1.4636861032	-0.335642
+C	 3.7069741126	-0.8261471754	-2.2698208858	 0.114644
+O	 4.9813047448	-0.4763722505	-1.6984022374	-0.291928
+C	 4.4030069705	 0.6216796402	-0.9500780418	-0.080196
+C	 2.9865603373	 0.2907003651	-1.4520763618	-0.186841
+H	-0.4063857717	 0.4328739025	 1.0806509306	 0.132678
+H	 0.7152489121	 1.3296818783	 0.0437339691	 0.125984
+H	-0.6375486263	 0.4250541322	-0.6742687849	 0.12189
+H	 0.452359896	-1.7608812545	 0.0553061519	 0.090217
+H	 3.647265143	-2.5824816775	-0.9022471305	 0.126295
+H	 2.2777565183	-2.5344897865	-2.0499576557	 0.105441
+H	 3.7351309375	-0.8982276852	-3.3592350826	 0.078297
+H	 4.5637913581	 0.5289045758	 0.1295461755	 0.120994
+H	 4.7940967896	 1.5852909808	-1.2982707654	 0.100981
+H	 2.3807817414	 1.0934759228	-1.8706494667	 0.080494
+19
+0 3722	3.3648613	1.2533191	1.162591	1.8292	75.76	-0.23425	0.0691	0.30335	1128.8203	0.156803	-422.497696	-422.48951	-422.488566	-422.530653	31.285
+O	 0.4774774194	 0.3531323762	 1.1373988305	-0.420239
+C	-0.7360002037	 0.7378585969	 0.5587237773	 0.028707
+C	-1.8833062457	-0.2387284339	 0.5008366508	-0.382833
+C	-1.8941212354	 0.8961863369	 1.4917118338	 0.353765
+C	-2.8616387124	 2.0879523972	 1.6145108174	-0.34445
+C	-2.8027476112	 1.9363440969	 3.1612696771	-0.07462
+C	-3.7476832464	 0.8700084887	 3.7462272932	-0.07731
+O	-2.7750602387	-0.1848602253	 3.5553663899	-0.292003
+C	-1.8135717349	 0.7431196405	 3.0101383603	 0.033262
+H	 0.8840769161	-0.306810832	 0.5664308497	 0.289464
+H	-0.6478346697	 1.4623049065	-0.2531261315	 0.082282
+H	-2.5593493395	-0.193104749	-0.347565431	 0.110466
+H	-1.7215677527	-1.2318236989	 0.9081972569	 0.125437
+H	-2.4424300252	 3.0313428817	 1.2520341111	 0.105409
+H	-3.8535516733	 1.954918706	 1.1705276707	 0.099643
+H	-2.6090804162	 2.8255451486	 3.7587060914	 0.078316
+H	-3.988059466	 0.9973102188	 4.8092719329	 0.10049
+H	-4.6776096973	 0.6902116563	 3.1904775294	 0.096543
+H	-0.8265144571	 0.6447317077	 3.4649217001	 0.087672
+19
+0 3723	3.4473199	1.2168823	1.1398464	2.396	75.52	-0.23701	0.07377	0.31078	1137.3048	0.156778	-422.498438	-422.490309	-422.489365	-422.53114	31.307
+O	 0.6828002203	 0.1487593407	 0.8034362004	-0.420716
+C	-0.693634311	 0.3908108726	 0.8432748522	 0.022735
+C	-1.4659190308	 0.0938451831	 2.1070595134	-0.392763
+C	-1.5733656819	-0.8142549934	 0.9056604628	 0.35499
+C	-2.7938527653	-1.1059872568	 0.0111766802	-0.3312
+C	-2.3159216585	-2.5764940667	-0.0824459606	 0.124098
+O	-2.869388266	-3.4107423475	 0.9546512392	-0.295069
+C	-1.6944540261	-3.243922132	 1.7850673023	-0.080631
+C	-1.0650195364	-2.255047508	 0.7901237379	-0.158811
+H	 1.1197050458	 0.8142790944	 1.344932118	 0.28945
+H	-1.0321985316	 1.2251697247	 0.2263801615	 0.084596
+H	-0.8956095416	-0.2725521544	 2.9556330818	 0.11324
+H	-2.3123368521	 0.7243527648	 2.3612984563	 0.113515
+H	-3.7784335033	-0.998232592	 0.4735502809	 0.11059
+H	-2.7790019539	-0.5679994379	-0.942523772	 0.100783
+H	-2.306893118	-3.0689821531	-1.058048946	 0.075198
+H	-1.937658155	-2.853073536	 2.7808494577	 0.099364
+H	-1.1495320795	-4.1908522035	 1.892039289	 0.097706
+H	-0.0281542152	-2.395631179	 0.4915928948	 0.092924
+19
+0 3724	3.8868457	1.2464148	1.101901	2.9026	75.47	-0.22953	0.0588	0.28833000000000003	1140.3904	0.156652	-422.499265	-422.491202	-422.490258	-422.531869	31.36
+O	 0.4665434978	 0.3347384343	 0.9950342506	-0.43572
+C	-0.8691209032	 0.6631700137	 0.7856910966	 0.047531
+C	-1.8174263392	 0.7590639359	 1.9786490965	-0.39193
+C	-1.8738954223	-0.4119686688	 1.0469888517	 0.42195
+O	-1.334953212	-1.6887086264	 1.4389809567	-0.339134
+C	-2.2543053092	-2.3701225676	 0.5412355039	 0.120397
+C	-3.525632023	-2.8579536373	 1.2648684417	-0.229031
+C	-4.2184638074	-1.4929530457	 0.9516976663	-0.231501
+C	-2.9522186612	-1.0259104125	 0.1762428218	-0.193972
+H	 0.4867940459	-0.6255570703	 1.1223048465	 0.293233
+H	-1.0200567462	 1.348976785	-0.0449002638	 0.096763
+H	-1.384391726	 0.5848088376	 2.9583908217	 0.127346
+H	-2.6219417173	 1.4877858732	 1.9462957466	 0.114547
+H	-1.7312311487	-3.0336067722	-0.1505655164	 0.08272
+H	-4.0025161237	-3.7086880375	 0.7706899398	 0.105165
+H	-3.3676998373	-3.1010215393	 2.3174819413	 0.115603
+H	-5.1038016683	-1.5893537521	 0.3199478009	 0.10444
+H	-4.4752994481	-0.8757649148	 1.8159051955	 0.109378
+H	-3.0720081405	-0.6359986952	-0.8338508977	 0.082212
+19
+0 3725	2.7720074	1.5189917	1.1560478	2.2352	76.19	-0.2534	0.01422	0.26762	1105.4529	0.156489	-422.556281	-422.547777	-422.546833	-422.589021	32.806
+C	 0.2990975801	 0.0098541324	-0.5791971739	-0.440122
+C	 1.1459241143	 0.3892533425	 0.6086013811	 0.013403
+O	 2.4859305766	 0.8635486723	 0.3465224436	-0.298806
+C	 2.3126708837	-0.3768704235	 1.0553842729	 0.33921
+C	 2.8440110922	-0.417526276	 2.4863987934	-0.341718
+C	 4.0064207088	-1.3777706853	 2.3751136514	-0.075565
+C	 4.0359518788	-2.0039988395	 1.2002719058	-0.095581
+C	 2.8817541464	-1.6036965305	 0.3042736495	 0.022798
+O	 3.231157313	-1.315098356	-1.0341480671	-0.436248
+H	-0.5733650115	-0.5649435169	-0.2495087162	 0.122222
+H	-0.0674238325	 0.9080693357	-1.0869632863	 0.126867
+H	 0.8719242522	-0.5883807118	-1.2901245874	 0.151892
+H	 0.6362524766	 0.9894255484	 1.3654626639	 0.088232
+H	 3.1315986613	 0.5850167169	 2.82157634	 0.124731
+H	 2.0827820089	-0.7849950281	 3.1882935788	 0.114482
+H	 4.7075080481	-1.5322880637	 3.1877735122	 0.099773
+H	 4.7606856502	-2.7454239145	 0.8855569611	 0.103851
+H	 2.1366432076	-2.411842472	 0.2636204215	 0.090311
+H	 3.3887964452	-0.3601893402	-1.0590322643	 0.290267
+19
+0 3726	2.5987492	1.4417285	1.0829383	1.4362	76.65	-0.24729	0.01591	0.2632	1143.0985	0.156822	-422.552905	-422.544233	-422.543288	-422.586243	33.289
+O	-3.0192429426	 0.2260341434	 3.9626381264	-0.424264
+C	-2.40409348	-0.0727270425	 2.7427742595	 0.051715
+C	-1.2639443747	-1.0533641161	 2.6967895439	-0.378306
+C	-1.002867845	 0.4328426733	 2.5536571652	 0.288206
+C	-0.3141699053	 1.239864503	 3.6603934132	-0.340244
+C	 0.4756056135	 2.2661059335	 2.8888716374	-0.068299
+C	 0.3270061433	 2.1537302349	 1.5700176891	-0.110036
+C	-0.5656463727	 0.9995449328	 1.1835447068	 0.005658
+O	 0.078851321	 0.0590506772	 0.3246319854	-0.423841
+H	-3.5287792065	-0.5433280336	 4.2368148751	 0.288863
+H	-3.0664237986	-0.0280160747	 1.876773772	 0.085414
+H	-0.9751339059	-1.5161186224	 3.6357672727	 0.107198
+H	-1.1435717616	-1.6688212427	 1.8117675761	 0.123361
+H	-1.0481193345	 1.7031481927	 4.3295527396	 0.133032
+H	 0.3349890453	 0.6261694308	 4.2991869132	 0.102518
+H	 1.0839516977	 3.0146167872	 3.3859991252	 0.097376
+H	 0.7926009671	 2.7812967173	 0.8185152112	 0.097373
+H	-1.4318495924	 1.3283893853	 0.5963942642	 0.090113
+H	 0.8921589619	-0.2133257694	 0.7651067135	 0.274163
+19
+0 3727	3.2920107	1.1580079	1.0675593	1.9325	75.95	-0.24169	-0.02424	0.21744999999999998	1205.0666	0.155698	-422.563682	-422.55503	-422.554086	-422.597105	32.578
+C	-4.3989178569	-0.2800546486	 0.8648601744	-0.408296
+C	-3.41641934	-1.1590365284	 0.1248435079	-0.064344
+C	-3.3551649911	-1.1211185731	-1.3968787819	-0.369433
+C	-2.2292258889	-0.5611002593	-0.5990329755	 0.427324
+C	-0.8305860661	-1.1338711554	-0.5059180427	-0.415336
+C	-0.0826403613	-0.0291934202	 0.2464415926	 0.372117
+O	 1.0024541533	-0.0902920539	 0.75709684	-0.296266
+C	-1.0116797538	 1.190833891	 0.2343490572	-0.191865
+O	-2.0915656472	 0.8524522153	-0.6175987579	-0.285909
+H	-4.1175872018	-0.1704533066	 1.9181350043	 0.114978
+H	-4.4290533174	 0.7185732871	 0.4217881617	 0.132934
+H	-5.4092852165	-0.7013922087	 0.8326894185	 0.118529
+H	-3.2401559092	-2.1344504025	 0.5735533122	 0.084555
+H	-3.1964955847	-2.0429591206	-1.9465128757	 0.115078
+H	-3.994180949	-0.3992418832	-1.8956153022	 0.125576
+H	-0.7532012179	-2.089583303	 0.0155723244	 0.137079
+H	-0.3700755905	-1.2461821785	-1.4962908142	 0.139676
+H	-1.3415947842	 1.3966380825	 1.2653155132	 0.124636
+H	-0.5064939165	 2.081182756	-0.1505920962	 0.138966
+19
+0 3728	2.8779364	1.2986101	1.0831248	4.1033	76.2	-0.2587	0.01456	0.27326	1181.5772	0.156971	-422.593902	-422.585409	-422.584465	-422.627118	31.997
+C	-2.1596673219	-2.8512795411	 1.456777679	-0.408506
+C	-2.8355132862	-1.645791956	 0.8434902846	-0.065896
+C	-3.1272405915	-1.6030046174	-0.6510985153	-0.364956
+C	-2.0887258678	-0.705754968	-0.0666576861	 0.434555
+C	-2.1738212041	 0.8108188689	 0.0107601158	-0.303961
+C	-0.7494883989	 1.1833349801	 0.4380249483	-0.358167
+C	 0.0936045714	 0.0140947644	-0.0638117595	 0.418028
+O	 1.279829191	-0.0510994329	-0.1965632155	-0.333371
+O	-0.7313805034	-1.0312522398	-0.3627117543	-0.249136
+H	-1.6885515875	-2.5970510395	 2.412501531	 0.119582
+H	-2.8837961679	-3.6511398424	 1.6433110776	 0.119891
+H	-1.379983087	-3.2411720266	 0.7980135437	 0.139311
+H	-3.5794655549	-1.1660658273	 1.4760918855	 0.087442
+H	-2.7701518067	-2.437566871	-1.2455094423	 0.130721
+H	-4.0538967157	-1.1591952412	-1.0007939404	 0.116297
+H	-2.3994055082	 1.2295388973	-0.9762977248	 0.119954
+H	-2.9466671388	 1.1468024994	 0.704677033	 0.116059
+H	-0.3726387279	 2.1226660493	 0.0321705773	 0.140124
+H	-0.642678074	 1.2268170037	 1.5277910424	 0.142029
+19
+0 3729	3.5349623	1.096249	0.9614733	4.5756	75.61	-0.26055	0.01628	0.27683	1266.1957	0.157216	-422.591931	-422.583418	-422.582473	-422.625291	31.833
+C	-2.9633782285	-2.7937200992	 1.478680326	-0.409876
+C	-3.197830898	-1.4984080258	 0.7326300604	-0.057009
+C	-3.0597754633	-1.422777105	-0.7716844031	-0.336984
+C	-2.0642359354	-0.7220133836	 0.1215113696	 0.317333
+C	-2.0190677357	 0.799283692	 0.1892359573	-0.142635
+O	-0.7385854494	 1.1756685571	-0.3425889608	-0.218406
+C	 0.117221631	 0.1156126156	-0.3622926951	 0.438629
+O	 1.2483067195	 0.2149766248	-0.7362514354	-0.335766
+C	-0.6034275887	-1.1262997077	 0.1597964271	-0.457869
+H	-2.6761876193	-2.6100725397	 2.5199481502	 0.12175
+H	-3.8701114284	-3.4076372834	 1.4876930622	 0.124517
+H	-2.1684311526	-3.3852937096	 1.014282106	 0.120652
+H	-3.9941417551	-0.8851349211	 1.1514919579	 0.086826
+H	-2.7249584638	-2.3147983488	-1.2928811542	 0.116645
+H	-3.7682757428	-0.8193795133	-1.3304472446	 0.115621
+H	-2.7922670232	 1.2866974697	-0.4104384134	 0.123325
+H	-2.0874860276	 1.17118295	 1.2200390525	 0.113965
+H	-0.3411375565	-1.9901451763	-0.4523873639	 0.141189
+H	-0.2430941222	-1.3213450356	 1.1781447412	 0.138091
+19
+0 3730	3.4664998	1.1115879	0.9431261	3.0792	75.8	-0.24098	-0.0199	0.22108	1275.1876	0.155534	-422.577981	-422.569201	-422.568256	-422.61178	32.718
+C	-3.2717512568	-3.0360048662	 1.0355685464	-0.422205
+C	-3.1205606275	-1.5699400415	 1.3521390313	-0.005421
+O	-1.9871834711	-1.1788901407	 2.1438975546	-0.296964
+C	-2.0747463309	-0.7118527436	 0.7871289665	 0.401958
+C	-2.235577808	 0.7972153252	 0.606112246	-0.299106
+C	-0.8128002237	 1.2862112591	 0.2909568029	-0.321821
+C	-0.1373382242	 0.1047993408	-0.4156606999	 0.400765
+O	 0.8724803742	 0.15274558	-1.0663567461	-0.308139
+C	-0.9745104297	-1.1600073721	-0.1603520297	-0.406178
+H	-3.620122673	-3.5815553625	 1.918546259	 0.132654
+H	-4.0120260634	-3.1796695984	 0.2408393556	 0.123369
+H	-2.325207368	-3.4757909672	 0.7140506763	 0.128336
+H	-4.0466788814	-1.0746874258	 1.6551014826	 0.084248
+H	-2.9024066113	 0.9977075698	-0.2413912428	 0.110924
+H	-2.6739065236	 1.252274339	 1.4963089791	 0.120669
+H	-0.7499020658	 2.1930692804	-0.3137393894	 0.129262
+H	-0.2512449489	 1.4706364952	 1.2160787979	 0.144242
+H	-1.3731429909	-1.5067311652	-1.1220082254	 0.136208
+H	-0.354341906	-1.9599390663	 0.248986285	 0.147198
+19
+0 3731	3.2903682	1.1215219	0.9555466	3.8645	75.64	-0.2332	-0.01184	0.22136	1251.771	0.156299	-422.574662	-422.56603	-422.565086	-422.608149	32.818
+O	-3.0190271919	-2.9704190969	 0.930626498	-0.419281
+C	-3.0116077808	-1.6795320873	 1.4688313824	 0.03645
+C	-1.8918744034	-1.2535811985	 2.3919125562	-0.380036
+C	-1.9571281378	-0.7561750592	 0.9575348524	 0.339012
+C	-2.2375445719	 0.717266595	 0.6537288701	-0.30362
+C	-0.8712888893	 1.2656861395	 0.2109928293	-0.315056
+C	-0.1506183881	 0.0671203746	-0.4207135019	 0.399372
+O	 0.8475569766	 0.1197262613	-1.0905401557	-0.313232
+C	-0.9164208944	-1.2111069639	-0.0538974129	-0.386281
+H	-3.2761128641	-3.5839154131	 1.6268892699	 0.289758
+H	-4.0005378595	-1.2571396699	 1.6550957666	 0.083553
+H	-2.1218203069	-0.5640940171	 3.1985632089	 0.109635
+H	-1.1379231666	-1.9985167498	 2.6260081667	 0.115423
+H	-2.9586433687	 0.7958774863	-0.1699096631	 0.109745
+H	-2.6608009247	 1.2508750356	 1.5086590509	 0.102995
+H	-0.9077881175	 2.1119524081	-0.4784155505	 0.126663
+H	-0.2733193313	 1.5785712944	 1.0769924277	 0.132556
+H	-1.3889930542	-1.5966457927	-0.9673200378	 0.140972
+H	-0.2353908356	-1.9888329365	 0.2966286929	 0.131373
+19
+0 3732	3.8136373	1.0764625	0.9767275	3.1048	80.9	-0.21143	0.01409	0.22552	1277.1266	0.155558	-422.542573	-422.533679	-422.532735	-422.575989	33.498
+C	 1.5292183758	 0.3488316885	 0.0393164641	-0.492743
+C	 0.0532532314	 0.1277909025	 0.080528691	 0.288314
+C	-0.9371488471	 1.0204572127	 0.0968518246	-0.296508
+C	-2.2401044554	 0.3350190298	 0.157816495	 0.395403
+C	-3.5401059036	 0.7816711247	-0.4729664488	-0.383923
+C	-3.4149052037	 0.702440597	 1.0371045698	 0.073557
+O	-4.0348119188	-0.3303710402	 1.7337037938	-0.434207
+O	-1.9671386487	-1.0599374346	 0.1252887351	-0.326428
+C	-0.5500432329	-1.2558633444	 0.12348036	-0.167689
+H	 2.0227388508	-0.0936962147	 0.9140790778	 0.131249
+H	 1.9781155242	-0.1226490766	-0.8442573012	 0.131051
+H	 1.7729768413	 1.4138122076	 0.0160146792	 0.13132
+H	-0.8373678877	 2.0981337024	 0.0800019099	 0.107506
+H	-3.5766361223	 1.7555468736	-0.9511669209	 0.111411
+H	-4.12794508	 0.0040773026	-0.9493455371	 0.126
+H	-3.3810972395	 1.6303358964	 1.6024326047	 0.095762
+H	-3.5074840928	-1.1227939194	 1.5573389692	 0.292804
+H	-0.2457997663	-1.8140064141	 1.0233276645	 0.107158
+H	-0.2698207246	-1.8668761336	-0.7483002706	 0.109964
+19
+0 3733	2.9268831	1.3100308	1.1324534	1.6907	76.29	-0.23121	0.06953	0.30074	1162.0768	0.154958	-422.491805	-422.483007	-422.482063	-422.525345	32.684
+C	 2.5675732739	 1.494290291	 0.3271887574	-0.40269
+C	 1.6720098629	 0.2776505389	 0.2468489109	-0.088943
+C	 1.914405146	-0.786265096	-0.8173015683	-0.358694
+C	 2.2111153003	-1.0664941325	 0.619762695	 0.382587
+O	 3.5422268583	-1.2608973771	 1.1167529792	-0.32301
+C	 3.1202244094	-2.3670722667	 1.9534434033	-0.152409
+C	 1.6751694907	-2.1600396474	 1.5070326837	 0.289841
+C	 0.3989799021	-2.3406549981	 2.1914506009	-0.262623
+O	 0.7972774934	-3.1826425219	 1.0930090909	-0.261626
+H	 2.5240649929	 1.949902942	 1.3221217414	 0.118774
+H	 3.609631704	 1.2240695538	 0.1360584058	 0.134264
+H	 2.2691588218	 2.2520050949	-0.4049000102	 0.117027
+H	 0.6304474898	 0.4534084134	 0.5091151375	 0.085094
+H	 1.0663884425	-1.2921709759	-1.267226535	 0.124463
+H	 2.7704044042	-0.6492293184	-1.470706288	 0.123349
+H	 3.558149934	-3.3195287336	 1.6339138342	 0.120504
+H	 3.3404614945	-2.1877860566	 3.0114639441	 0.112429
+H	 0.3688864775	-2.8274604937	 3.1654790824	 0.120628
+H	-0.4300089781	-1.665762326	 1.9830222248	 0.121037
+19
+0 3734	2.837868	1.3451144	1.1273896	1.5722	76.3	-0.2506	0.05382	0.30441999999999997	1160.7849	0.155123	-422.50624	-422.497516	-422.496572	-422.53959	32.635
+C	 0.0330158858	-0.1469113204	-0.3541651919	-0.420557
+C	 1.0423161977	 0.3267026649	 0.6566343919	-0.021622
+O	 2.2390340349	 0.9473716499	 0.1407293606	-0.302
+C	 2.3637751663	-0.2877934463	 0.8172385467	 0.369154
+C	 2.9369583678	-1.5968210954	 0.251462147	-0.338924
+C	 3.4483112093	-1.9425131695	 1.6900335384	-0.337712
+C	 3.139036763	-0.4948227747	 2.0979795556	 0.389321
+C	 3.9560098288	 0.4838419253	 2.8150780953	-0.262959
+O	 2.7387655838	-0.0407336788	 3.374026573	-0.278132
+H	-0.69148673	-0.8203593122	 0.1166805643	 0.124351
+H	-0.5202027452	 0.7017099005	-0.7697249546	 0.132578
+H	 0.5187590903	-0.6745262342	-1.1789593727	 0.126734
+H	 0.6367618439	 0.8375914561	 1.530885721	 0.104977
+H	 2.2255886757	-2.2935890573	-0.195853452	 0.112497
+H	 3.7497441201	-1.4130488838	-0.4552761709	 0.121719
+H	 2.8028530783	-2.6566228943	 2.2073392842	 0.12173
+H	 4.4861704771	-2.2679191303	 1.7787028309	 0.113221
+H	 4.8710571746	 0.1631310388	 3.3110670028	 0.116425
+H	 3.9166454578	 1.5294007813	 2.5156190104	 0.129198
+19
+0 3735	2.9890435	1.2942456	1.1119507	1.8482	76.25	-0.23189	0.07114	0.30303	1175.8048	0.1548	-422.496831	-422.488058	-422.487114	-422.530231	32.856
+C	 0.0263917411	 0.4527913294	-0.14193455	-0.419382
+C	 0.9426513522	-0.7099249571	 0.1339299381	-0.017847
+O	 2.0601411449	-0.889855723	-0.7659002859	-0.285324
+C	 2.3257027527	-0.5417723326	 0.5753789822	 0.26994
+C	 3.1111202331	 0.6842243165	 1.0368654351	-0.15916
+O	 3.8359958444	-0.1341130411	 1.9890526393	-0.318788
+C	 3.2005615243	-1.3276867058	 1.518090389	 0.389367
+C	 3.9381808184	-2.598858307	 1.2609585705	-0.327351
+C	 2.9224915398	-2.5036354141	 2.3916324318	-0.344025
+H	-0.6101689455	 0.6508815917	 0.7271937568	 0.127146
+H	 0.5970470008	 1.3569605682	-0.3701517535	 0.128446
+H	-0.6257273527	 0.2356491794	-0.993991314	 0.13406
+H	 0.4454235662	-1.6465346713	 0.392971692	 0.094125
+H	 3.7689274979	 1.1119630115	 0.2714813686	 0.118203
+H	 2.5433343613	 1.4807977977	 1.5305016079	 0.110691
+H	 3.6777100116	-3.1576032417	 0.3681104103	 0.128573
+H	 4.9875269715	-2.6231478329	 1.5336006667	 0.126973
+H	 1.9716215713	-3.0170747823	 2.2898352041	 0.116193
+H	 3.3083579767	-2.4587067553	 3.404442991	 0.12816
+19
+0 3736	2.2575072	1.7937004	1.2530435	2.7353	75.41	-0.24712	0.05792	0.30504	1055.6886	0.155983	-422.502731	-422.494298	-422.493354	-422.535953	32.493
+O	 0.1684955596	-0.2337559566	 0.846447366	-0.439211
+C	-0.9699704047	 0.4856803323	 0.4848291851	 0.063671
+C	-2.3043919595	-0.193010109	 0.630580268	-0.375858
+C	-1.7276615435	 0.060946401	-0.7430668835	 0.240628
+C	-2.3163717375	 0.9093113384	-1.8839619652	-0.324659
+C	-1.8299944538	-0.1718439437	-2.9062657629	-0.311792
+C	-1.2079894778	-0.9492171975	-1.741743323	 0.36946
+C	-0.8349542011	-2.3540469276	-1.5957512135	-0.265038
+O	 0.1780131444	-1.3417429185	-1.7594460519	-0.282907
+H	 0.5896502874	-0.5386808639	 0.0298808938	 0.301696
+H	-0.9162568069	 1.5533924667	 0.6987033724	 0.089563
+H	-2.2924015738	-1.210649855	 1.0072269237	 0.118583
+H	-3.164188213	 0.4005644351	 0.9259532583	 0.112742
+H	-3.4003100877	 1.0399149538	-1.8427573747	 0.107983
+H	-1.8500067322	 1.8896206802	-2.0122201494	 0.110377
+H	-2.6319489629	-0.7007655312	-3.4266071014	 0.113581
+H	-1.0957723649	 0.1702874854	-3.6385370625	 0.122984
+H	-0.8632085818	-2.8200944395	-0.6123332925	 0.126276
+H	-0.9394907103	-3.0341386203	-2.439671617	 0.121923
+19
+0 3737	2.9243085	1.2815024	1.121389	1.0503	75.92	-0.22272	0.06712	0.28984	1157.6197	0.155344	-422.492772	-422.484099	-422.483154	-422.526046	33.067
+O	 0.5180553817	 0.1673091211	 0.8151795999	-0.417718
+C	-0.7101143247	 0.6863978127	 0.39555252	 0.036306
+C	-1.8634682426	-0.2744040113	 0.3875072828	-0.371704
+C	-1.8167303333	 0.8340065354	 1.3996303168	 0.168799
+C	-1.6827714817	 0.7508150099	 2.9138632422	-0.137159
+O	-2.5237651131	 1.9221688263	 3.0688360636	-0.319491
+C	-2.7440083901	 1.9958408461	 1.6564726725	 0.41412
+C	-4.0847166548	 2.3195269812	 1.085744119	-0.334341
+C	-2.9220482174	 3.2977269248	 0.9494109241	-0.343956
+H	 1.0074252126	 0.8736784834	 1.2509257504	 0.289906
+H	-0.6563981249	 1.4184452113	-0.4115145348	 0.087664
+H	-2.580869202	-0.2109532103	-0.4245552365	 0.117005
+H	-1.6615490823	-1.2796552256	 0.7435097357	 0.128097
+H	-2.1265044696	-0.1334524957	 3.3868490461	 0.108426
+H	-0.6755624536	 0.9105575809	 3.3177498912	 0.096832
+H	-4.4187898035	 1.7821980231	 0.2035316556	 0.11323
+H	-4.8704564607	 2.5724787638	 1.7894447676	 0.1257
+H	-2.4658460917	 3.4324114095	-0.0264318382	 0.112595
+H	-2.9461380883	 4.1903957633	 1.5653546419	 0.12569
+19
+0 3738	2.9403974	1.3179624	1.1525379	2.8627	75.93	-0.22905	0.05627	0.28532	1138.5988	0.155586	-422.492572	-422.484008	-422.483063	-422.525664	32.846
+O	-0.560711835	 0.9497037885	 0.4896210141	-0.436249
+C	-1.7891724884	 0.2965914134	 0.5293893754	 0.057327
+C	-3.0035366883	 1.0018800424	 1.1283456919	-0.392204
+C	-2.3042692793	-0.0874472859	 1.8793135202	 0.362766
+O	-1.4528520117	 0.2235260094	 2.9947189977	-0.334882
+C	-1.7311982573	-1.0693155084	 3.6018443695	-0.140287
+C	-2.7240580188	-1.3998202728	 2.4907283877	 0.203167
+C	-4.0987487573	-1.9791176781	 2.612383852	-0.320677
+C	-3.0260393173	-2.7077172583	 1.8314708299	-0.330118
+H	-0.1917866192	 0.8796781185	 1.3823132507	 0.294029
+H	-1.9513047023	-0.3679378815	-0.3164192595	 0.096003
+H	-2.8559993944	 2.0144019797	 1.4904600914	 0.128624
+H	-3.9823635988	 0.7953205522	 0.7050778222	 0.112796
+H	-0.833031892	-1.697072494	 3.6415997596	 0.110487
+H	-2.1467143144	-0.9530673107	 4.6087338928	 0.113091
+H	-4.3989614589	-2.3836886833	 3.573867951	 0.117548
+H	-4.9012973702	-1.5016429559	 2.0591238528	 0.12012
+H	-2.5976247435	-3.6071446159	 2.262379049	 0.118323
+H	-3.1025620529	-2.7272811291	 0.7488369917	 0.120137
+19
+0 3739	2.6400304	1.2760465	0.9761214	2.634	76.22	-0.24181	-0.03221	0.2096	1245.3517	0.154472	-422.526088	-422.516744	-422.5158	-422.560997	33.166
+C	 1.7583562671	-0.5100495141	-1.8523192516	-0.412764
+C	 0.9358583086	-1.0532417553	-0.7046846493	-0.052906
+C	 0.3010998552	-0.1207101882	 0.3028032302	-0.357557
+C	 1.4545319312	-0.9936776705	 0.7005191037	 0.272517
+C	 2.8386519267	-0.6095193578	 1.2147177673	-0.142193
+O	 2.7996989097	-1.6852616529	 2.184492553	-0.294683
+C	 1.4947095979	-2.1122218452	 1.7539282707	-0.0236
+C	 0.4537358108	-1.994398595	 2.8479320104	 0.130671
+O	-0.6900322133	-2.3468497539	 2.7108464348	-0.248105
+H	 2.4795606629	-1.2505142351	-2.2152976202	 0.123012
+H	 1.1169519211	-0.227779084	-2.693752213	 0.126121
+H	 2.3194804025	 0.3816379724	-1.552625087	 0.116325
+H	 0.3559576268	-1.9427162319	-0.9415592512	 0.09723
+H	 0.4906694155	 0.9442299763	 0.2007883797	 0.113837
+H	-0.6800306915	-0.3705069061	 0.6929908235	 0.137515
+H	 3.6664457596	-0.7336071489	 0.5053332167	 0.108821
+H	 2.922603117	 0.3712206805	 1.6995774757	 0.108466
+H	 1.4919929039	-3.134754055	 1.3523926003	 0.105961
+H	 0.8303059783	-1.5188155253	 3.7816599364	 0.091334
+19
+0 3740	3.018017	1.1400428	0.9474674	1.5175	77.07	-0.23635	-0.03147	0.20488	1282.659	0.154693	-422.526845	-422.517551	-422.516607	-422.56174	33.155
+C	 2.90333154	 0.3012182913	-1.3806209586	-0.406522
+C	 1.7379093799	-0.1675957252	-0.5382015022	-0.077596
+C	 1.3309066574	 0.6048582691	 0.7124863632	-0.37073
+C	 1.9869641252	-0.7343171494	 0.8240040518	 0.439256
+O	 3.3070858201	-0.8825837622	 1.3505486481	-0.298326
+C	 2.9751491381	-2.1848613987	 1.8752119142	-0.096815
+C	 1.4938379795	-2.0535081291	 1.4357698346	-0.237517
+C	 0.5169667447	-1.8795664818	 2.5691295256	 0.171557
+O	-0.559433623	-2.4142787219	 2.6363441732	-0.256172
+H	 3.7265884414	 0.6433652765	-0.7477988991	 0.134659
+H	 3.2863628116	-0.5107969692	-2.0077964204	 0.11935
+H	 2.6082454078	 1.1251746207	-2.0385180854	 0.119631
+H	 0.918938163	-0.6242247929	-1.0900173365	 0.092785
+H	 1.9397994664	 1.460548759	 0.988076123	 0.126413
+H	 0.2767679315	 0.7012056259	 0.9526544554	 0.12296
+H	 3.5254799656	-2.9873921584	 1.3725081776	 0.118085
+H	 3.1498305518	-2.2432445296	 2.9558817741	 0.113159
+H	 1.1233092728	-2.8001268301	 0.7324630643	 0.102572
+H	 0.8698460662	-1.1858239342	 3.3673525869	 0.083252
+19
+0 3741	1.9342917	1.6641907	1.0818328	3.3844	76.4	-0.24774	-0.02492	0.22282	1176.7792	0.154375	-422.537141	-422.527794	-422.52685	-422.572783	33.299
+C	 2.4480701392	-0.0794426571	-1.4625024064	-0.430243
+C	 1.5999780576	 0.1866353588	-0.2468123441	-0.009482
+O	 2.0618012397	 1.2103059087	 0.6560371264	-0.281623
+C	 2.0436320348	-0.1331836202	 1.112782183	 0.415114
+C	 1.2807897372	-0.5764175287	 2.3624698308	-0.319881
+C	 2.5651654783	-1.3191809699	 2.8402758251	-0.250428
+C	 3.3306928484	-0.8796806084	 1.5507808734	-0.182043
+C	 4.5158225972	 0.0328677473	 1.7422635039	 0.178393
+O	 5.4824084378	 0.0480567754	 1.0243304077	-0.257094
+H	 2.1502630721	-1.021539969	-1.935984681	 0.121458
+H	 2.3217648421	 0.7203393232	-2.1992501942	 0.133329
+H	 3.5065622671	-0.1373646364	-1.1966315806	 0.14878
+H	 0.5220753193	 0.2217840567	-0.4182796767	 0.092066
+H	 0.9712749503	 0.2601171958	 2.9939549995	 0.122997
+H	 0.4124719987	-1.213260403	 2.1752390508	 0.112607
+H	 2.9951732456	-0.9191495712	 3.7623484069	 0.113094
+H	 2.4661201084	-2.4000130231	 2.9469875052	 0.117045
+H	 3.6197117809	-1.68883954	 0.876086934	 0.096746
+H	 4.4306425153	 0.729326691	 2.6079197863	 0.079167
+19
+0 3742	2.8566615	1.1574796	0.9410788	2.5576	76.76	-0.24272	-0.01996	0.22275999999999999	1266.6194	0.154961	-422.533929	-422.524638	-422.523694	-422.56904	33.566
+O	-2.3698737487	-1.3354722526	-2.8064144603	-0.422078
+C	-1.4288463984	-1.4383981678	-1.7795215282	 0.042521
+C	-1.4906522224	-0.4924644049	-0.6053045992	-0.397786
+C	-0.4452997501	-0.3159615966	-1.6814295716	 0.340196
+C	-0.317011654	 0.8173946855	-2.7023723956	-0.293869
+C	 1.2119652088	 0.5310741732	-2.7668156734	-0.238146
+C	 1.0890798719	-0.4784803552	-1.5748580386	-0.178928
+C	 1.6390114097	 0.0485515957	-0.2767975468	 0.177653
+O	 2.2752990967	-0.5944973213	 0.5190052795	-0.264102
+H	-3.2171929599	-1.644180567	-2.4690839446	 0.291172
+H	-1.0564340914	-2.4468930759	-1.5936853674	 0.091662
+H	-2.3023647612	 0.2287395294	-0.5930124558	 0.11667
+H	-1.1857209513	-0.8594816542	 0.3700427868	 0.124221
+H	-0.8784339321	 0.6704059605	-3.6269037396	 0.124933
+H	-0.5588802916	 1.805214393	-2.2993529625	 0.103176
+H	 1.5300037105	 0.0416326185	-3.6885625907	 0.118986
+H	 1.8670395277	 1.3873078341	-2.5860430634	 0.107019
+H	 1.4755314699	-1.4866527402	-1.7415445693	 0.088901
+H	 1.3950798859	 1.1205238055	-0.0811914093	 0.067801
+19
+0 3743	3.3335247	1.3707446	1.1767069	2.2125	75.81	-0.23303	0.08379	0.31682	1106.175	0.156686	-422.522988	-422.514877	-422.513933	-422.555485	31.175
+C	 3.2599394421	 0.3911434532	 0.5565716017	-0.407052
+C	 1.958301291	-0.3240358572	 0.2745896035	-0.080995
+C	 0.7537781382	 0.4513771833	-0.2361832982	-0.358897
+C	 1.472659443	-0.4864294227	-1.1507974126	 0.447045
+O	 2.2060419449	 0.0939839952	-2.210479192	-0.29829
+C	 2.6422553877	-0.9339505185	-3.1007227818	-0.120042
+C	 1.6903996539	-2.0913662981	-2.8807769287	 0.023754
+O	 0.3150654853	-1.7035918829	-2.9332771347	-0.251743
+C	 0.954235704	-1.7949717286	-1.6497967011	-0.069176
+H	 3.2246901267	 0.9120867653	 1.5192830592	 0.1167
+H	 4.0992817048	-0.3123540938	 0.5876824548	 0.113348
+H	 3.4709245529	 1.1248053921	-0.2255181869	 0.134122
+H	 1.7336696667	-1.1525842703	 0.9435779785	 0.080849
+H	-0.2390976047	 0.1850991372	 0.1098810912	 0.116817
+H	 0.8965774488	 1.5086178681	-0.4346410779	 0.12608
+H	 2.6124243072	-0.5271437798	-4.1163537477	 0.120903
+H	 3.6715334526	-1.2556580225	-2.8766267876	 0.098165
+H	 1.9322832174	-3.0929665008	-3.2252359599	 0.103373
+H	 0.5701043575	-2.547157489	-0.9672607198	 0.10504
+19
+0 3744	3.4339401	1.2527249	1.1477221	0.7261	75.01	-0.25386	0.07659	0.33044999999999997	1144.9387	0.156806	-422.538134	-422.529971	-422.529027	-422.570758	31.254
+C	-0.068903149	 0.0215200981	 0.3265414858	-0.421845
+C	 1.4037232453	-0.0635709629	 0.0167791688	-0.0052
+O	 2.1167807209	-1.2118516621	 0.5071307978	-0.304768
+C	 1.9861580972	-1.0377821804	-0.9130456516	 0.415908
+C	 1.2181042132	-2.088634115	-1.717606586	-0.309288
+C	 2.3067542849	-2.882331801	-2.4887065112	-0.251596
+C	 3.4713907508	-1.9152423912	-2.5943746847	 0.049652
+O	 3.0888836452	-0.6100497356	-3.0510896279	-0.264129
+C	 3.2812387381	-0.8134211472	-1.6423022914	-0.042099
+H	-0.2218969601	 0.2985638467	 1.3747479636	 0.130138
+H	-0.5422706663	 0.7889237592	-0.2954246823	 0.126172
+H	-0.571586989	-0.9312060564	 0.1475467207	 0.126784
+H	 1.9504966232	 0.8721562062	 0.1557219064	 0.086775
+H	 0.6227404849	-2.7262237541	-1.0626868227	 0.117747
+H	 0.542905515	-1.5929913791	-2.420005557	 0.122184
+H	 2.6297914468	-3.7629749636	-1.9218183245	 0.113641
+H	 1.9591589992	-3.2272096687	-3.4668074463	 0.111822
+H	 4.4548338924	-2.2508084904	-2.9129756187	 0.097577
+H	 4.0889045673	-0.2595174223	-1.1721952689	 0.100526
+19
+0 3745	3.4625122	1.2984276	1.1147899	1.5808	75.1	-0.2358	0.07778	0.31358	1143.1824	0.156638	-422.523074	-422.514865	-422.513921	-422.555804	31.38
+C	 0.093950485	-0.2235983137	-0.393191897	-0.423746
+C	 1.0165958007	 0.4404928698	 0.5945596465	-0.008752
+O	 2.1773125884	-0.3000935248	 1.0091395021	-0.301729
+C	 2.3728484452	 0.9129428389	 0.2779044272	 0.412402
+C	 3.0478893313	 0.7964440746	-1.0970445418	-0.176817
+O	 3.6888207202	 2.0412599809	-1.3551849775	-0.26039
+C	 3.8260448876	 2.743365576	-0.1446086322	 0.123715
+C	 4.5297011552	 2.0792412062	 1.0028888398	-0.333241
+C	 3.0062458234	 2.1018891087	 0.9379445914	-0.178291
+H	-0.5236600598	-0.9734276228	 0.1119278262	 0.131859
+H	-0.5776206288	 0.5132823181	-0.8471670335	 0.125187
+H	 0.6506070974	-0.7263707794	-1.1877025621	 0.128045
+H	 0.5076783209	 0.9421168811	 1.4214578922	 0.087852
+H	 3.7761884872	-0.0258675053	-1.0667090981	 0.115264
+H	 2.3491601357	 0.5993574952	-1.9151509038	 0.114384
+H	 3.8923607752	 3.8134209482	-0.3006840767	 0.105143
+H	 5.0411870172	 1.1370327784	 0.8381331713	 0.128028
+H	 4.9948440166	 2.7227261636	 1.7415704345	 0.117549
+H	 2.4406306213	 2.6676316162	 1.6677200717	 0.093539
+19
+0 3746	2.9847602	1.3347898	1.2315225	2.283	75.08	-0.25219	0.07692	0.32911	1097.4753	0.157451	-422.535597	-422.52757	-422.526626	-422.567922	31.425
+O	 0.6289368174	-0.2146233496	 0.6335476809	-0.421163
+C	-0.7258682515	 0.1313485928	 0.6938902077	 0.047753
+C	-1.4197965945	 0.1924367426	 2.0316022727	-0.390907
+C	-1.6932991208	-0.9529554658	 1.0792141438	 0.334368
+C	-3.041597694	-1.1282339996	 0.3745194785	-0.307011
+C	-2.9504794532	-2.5041689236	-0.3360010519	-0.244285
+C	-1.9367858428	-3.2758950913	 0.48879896	 0.048811
+O	-2.1703446896	-3.210939105	 1.9030592199	-0.274744
+C	-1.1788858758	-2.3393705906	 1.3274437094	-0.018487
+H	 1.1389974707	 0.5158905488	 0.9987096367	 0.289559
+H	-1.0522585169	 0.8310635497	-0.0771911048	 0.08496
+H	-0.8163973607	-0.0253627491	 2.9072119545	 0.117127
+H	-2.196291779	 0.9353500446	 2.1848653045	 0.111685
+H	-3.8393714755	-1.1516394091	 1.1217989188	 0.119596
+H	-3.2624601753	-0.3115507258	-0.3185247511	 0.096492
+H	-3.9198758378	-3.0075392566	-0.3992207003	 0.107707
+H	-2.5637237116	-2.4010720373	-1.3570694175	 0.105526
+H	-1.5201865525	-4.2127447683	 0.1269564413	 0.090799
+H	-0.1545602366	-2.504333797	 1.6425007369	 0.102214
+19
+0 3747	3.0182875	1.3341909	1.2167427	2.3989	75.17	-0.22438	0.07601	0.30039	1099.5369	0.157312	-422.520599	-422.51256	-422.511616	-422.552925	31.537
+O	 0.6954290163	 0.0495015235	 0.8092963758	-0.417079
+C	-0.6834742864	 0.271486083	 0.7692337602	 0.044335
+C	-1.4948279079	 0.1639662615	 2.0410820228	-0.38855
+C	-1.5723507693	-0.9180440801	 0.9864932682	 0.320486
+C	-2.8448483689	-1.125510171	 0.1614243963	-0.169089
+O	-2.6827599756	-2.3590172963	-0.5361284785	-0.257867
+C	-1.7277662941	-3.1313123076	 0.1477213242	 0.123281
+C	-1.9142164019	-3.3888643612	 1.6207636656	-0.347195
+C	-0.9778891024	-2.2885777284	 1.1386023642	-0.150256
+H	 1.1042606985	 0.7896139846	 1.2698080041	 0.289674
+H	-1.0073662025	 1.0023955494	 0.0262354538	 0.085725
+H	-0.9517136657	-0.0721066594	 2.9504509074	 0.116815
+H	-2.3442328801	 0.82806718	 2.1747152684	 0.108936
+H	-3.7251575392	-1.1738020158	 0.8201605922	 0.096893
+H	-3.0208480339	-0.3348675622	-0.5760798388	 0.10837
+H	-1.2666834054	-3.8689255201	-0.4978999056	 0.1014
+H	-2.8532899456	-3.1142743505	 2.0899174197	 0.115835
+H	-1.4538088252	-4.2820158664	 2.0298307836	 0.111893
+H	 0.0902498893	-2.370316663	 1.2879436063	 0.106393
+19
+0 3748	3.3050114	1.4077929	1.1913167	2.5714	75.33	-0.22529	0.07253	0.29782	1080.7494	0.157532	-422.527711	-422.519836	-422.518892	-422.559807	31.27
+O	 0.4181255223	 1.0297654638	 0.1541713036	-0.435891
+C	-0.7496156288	 0.7355825978	 0.8537793773	 0.063569
+C	-1.7182247109	-0.3048533681	 0.3085349795	-0.398211
+C	-2.0606920374	 1.1576663756	 0.2441997267	 0.404059
+O	-1.9538826775	 1.7496479854	-1.0428537052	-0.312163
+C	-2.3873679371	 3.1162490691	-0.939809249	-0.111462
+C	-3.391025692	 3.142975207	 0.1969734565	-0.047974
+C	-4.4399245055	 2.0606325358	 0.1951061858	-0.297334
+C	-3.1596077203	 1.8654409547	 0.9721589887	-0.13187
+H	 0.1316902799	 1.4219232237	-0.6831721569	 0.289347
+H	-0.6087899916	 0.8023127178	 1.9290941622	 0.097337
+H	-1.4381464577	-0.7842370409	-0.6238407274	 0.123178
+H	-2.270249548	-0.9298105608	 1.0031015248	 0.114125
+H	-1.5394561491	 3.7794434402	-0.7141558355	 0.102823
+H	-2.7971628388	 3.3917806284	-1.9168817126	 0.112989
+H	-3.5847630649	 4.0861523841	 0.6932791451	 0.094351
+H	-5.3435399569	 2.2460061491	 0.7648928985	 0.113075
+H	-4.5827371184	 1.4778921578	-0.7095798335	 0.125478
+H	-3.1736651872	 1.8356514594	 2.0547487316	 0.094573
+19
+0 3749	2.3935067	1.5861057	1.1278411	2.7926	78.99	-0.21279	0.01582	0.22861	1130.3828	0.155635	-422.543386	-422.534518	-422.533574	-422.576711	33.451
+C	 1.5507848698	 0.4133068736	 0.4009971951	-0.508779
+C	 0.1171446245	 0.0223108192	 0.2479224777	 0.259986
+C	-0.4303558285	-1.1902320495	 0.3405306164	-0.22338
+C	-1.9131040377	-1.1145809904	 0.117273552	-0.135536
+O	-2.1726755044	 0.2699742907	-0.1529934156	-0.328956
+C	-0.9615630182	 1.0002580606	-0.0369304826	 0.328246
+C	-0.8585893947	 2.2542196054	-0.8775931296	-0.385167
+C	-1.1395612585	 2.3568220309	 0.6097744822	 0.073426
+O	-2.4140775965	 2.6813960158	 1.060949663	-0.434042
+H	 1.6811118546	 1.1413645041	 1.2107761951	 0.135911
+H	 2.1752236763	-0.4550582051	 0.6230730673	 0.13153
+H	 1.9337389005	 0.8833796557	-0.5127191724	 0.135977
+H	 0.0893947395	-2.1153447186	 0.5554233947	 0.101841
+H	-2.2538594568	-1.7157045927	-0.7388207933	 0.112698
+H	-2.4943471847	-1.4370324859	 0.9949270694	 0.109932
+H	 0.1148821068	 2.5563953076	-1.251073418	 0.110709
+H	-1.6938591634	 2.4447548607	-1.5431408907	 0.126924
+H	-0.3553384812	 2.7456741109	 1.2543864288	 0.09546
+H	-2.9558576372	 1.8927433569	 0.9119645707	 0.29322
+19
+0 3750	3.3328078	1.3236389	1.1235886	2.5761	76.42	-0.23455	0.01759	0.25214000000000003	1123.9665	0.157202	-422.541838	-422.533635	-422.532691	-422.574281	32.031
+O	 0.4647977639	 0.2752406501	 0.7804287309	-0.436661
+C	-0.7959508171	 0.7120124596	 0.3844024434	 0.074791
+C	-1.9977279174	-0.2120853312	 0.4836354893	-0.384825
+C	-1.8360178894	 0.9673835663	 1.4298032471	 0.368557
+C	-2.7877720735	 2.1431529711	 1.417447715	-0.321703
+C	-3.7967804646	 1.9875440224	 2.5286330099	-0.058376
+C	-3.6241405088	 1.106202406	 3.5103156221	-0.064084
+C	-2.3995154615	 0.2388980945	 3.5999852846	-0.128661
+O	-1.3662350701	 0.6671017145	 2.7218239013	-0.305783
+H	 0.4302511556	 0.1949944681	 1.7431469826	 0.294347
+H	-0.7443934402	 1.3898167404	-0.4637344088	 0.09831
+H	-2.7646731785	-0.1692062883	-0.2830560589	 0.109223
+H	-1.8076166442	-1.1986574948	 0.8938434148	 0.116619
+H	-2.2340980877	 3.0857688747	 1.5378350397	 0.118528
+H	-3.2948448026	 2.2073598468	 0.4476169265	 0.109386
+H	-4.6793275078	 2.6206225114	 2.5031153736	 0.092851
+H	-4.3665238197	 0.9774365454	 4.2931609558	 0.093611
+H	-1.9697924933	 0.2759937227	 4.607569548	 0.118997
+H	-2.6613699129	-0.8141980798	 3.3980554432	 0.104874
+19
+0 3751	2.6579378	1.4372891	1.1040462	4.3515	75.76	-0.26232	0.01514	0.27746	1151.9495	0.15778	-422.596607	-422.588077	-422.587132	-422.629914	31.629
+C	-1.3767721118	 3.457657238	 1.2336334479	-0.414626
+C	-0.3686069325	 2.4821536718	 0.6712907777	-0.035433
+C	-0.2446145319	 2.2523508914	-0.8037988538	-0.328098
+C	-0.8193118243	 1.1603707239	 0.0869552008	 0.163916
+C	-2.2477048754	 0.6530688444	 0.0273435506	-0.338074
+C	-2.035272033	-0.8462537578	-0.2608008408	-0.085938
+O	-0.7102677988	-1.1668255014	 0.1977142144	-0.229306
+C	 0.043528171	-0.0399968352	 0.3243855671	 0.419264
+O	 1.2136519893	-0.0731091992	 0.5875034375	-0.363549
+H	-1.6606673544	 3.1932927335	 2.2579597551	 0.124568
+H	-0.9608280303	 4.4703449727	 1.2556885788	 0.127306
+H	-2.2895507077	 3.4887003439	 0.6301312581	 0.11537
+H	 0.5645331364	 2.4058356772	 1.22337638	 0.11534
+H	-0.945291226	 2.7567478653	-1.4624294278	 0.113866
+H	 0.7417673596	 2.0799146013	-1.2194740746	 0.136547
+H	-2.7536220621	 0.7896783521	 0.9892010826	 0.119345
+H	-2.8591308499	 1.1287693963	-0.742457764	 0.11541
+H	-2.7359240559	-1.4964884231	 0.2666717694	 0.125085
+H	-2.0905907721	-1.0673311951	-1.332797719	 0.119008
+19
+0 3752	2.5200561	1.4958657	1.1909091	2.0483	76.56	-0.23973	-0.02419	0.21554	1113.7381	0.156681	-422.565242	-422.556645	-422.5557	-422.598425	32.1
+C	 0.7462567105	 2.6992653374	 1.2432403811	-0.422492
+C	-0.5497565592	 2.5274059989	 0.4842792906	-0.027828
+C	-0.57626406	 2.3995467179	-1.0057498389	-0.335142
+C	-0.9480247264	 1.1983432772	-0.168826862	 0.1995
+C	-2.346198418	 0.6167015418	-0.0613478377	-0.175509
+O	-2.1859905891	-0.6202426012	 0.6380522033	-0.250759
+C	-0.9344068528	-1.1708079838	 0.275232691	-0.179168
+C	-0.0395165475	 0.0139116359	-0.1002998005	 0.310716
+O	 1.1489018306	-0.0270301328	-0.3118969381	-0.33088
+H	 0.6401168457	 2.3806165459	 2.285576721	 0.119978
+H	 1.5497378971	 2.1162726375	 0.7890344749	 0.155616
+H	 1.042721777	 3.7538302016	 1.2448734092	 0.119128
+H	-1.4025182023	 3.0442072766	 0.9205977222	 0.094695
+H	-1.3727900633	 2.8801624618	-1.565287484	 0.118662
+H	 0.3772119888	 2.3338733561	-1.5218680613	 0.135537
+H	-3.0435351947	 1.2338394095	 0.5118805715	 0.115846
+H	-2.7801536074	 0.4388786422	-1.059705917	 0.096141
+H	-0.5253214645	-1.7403447282	 1.1145722914	 0.138334
+H	-1.0125197245	-1.8464474644	-0.5940106568	 0.117626
+19
+0 3753	2.4835255	1.5479963	1.153847	1.9673	77.28	-0.23402	-0.02075	0.21327000000000002	1125.2077	0.156205	-422.568352	-422.559642	-422.558698	-422.601771	32.415
+C	-1.6009508582	 3.1589723349	 1.2912537282	-0.409295
+C	-0.4472559021	 2.4143863298	 0.6628616726	-0.060416
+C	-0.249198272	 2.419825552	-0.8301948119	-0.349696
+C	-0.7269165286	 1.1616197355	-0.1688603754	 0.318112
+O	-2.0422139049	 0.7279521335	-0.3915063457	-0.298675
+C	-2.1652146116	-0.5708682316	 0.207055377	-0.105858
+C	-0.7996740967	-1.2397684779	 0.0130555877	-0.339202
+C	 0.1474474262	-0.0355332791	 0.0054034092	 0.334792
+O	 1.3469705251	-0.0365627212	 0.1320674217	-0.331036
+H	-1.8127492149	 2.7836344665	 2.2980117626	 0.118761
+H	-1.3766573853	 4.2278030255	 1.37376993	 0.122146
+H	-2.5089902193	 3.0423026153	 0.6940839971	 0.133787
+H	 0.4645947201	 2.3531552362	 1.2513536046	 0.107284
+H	-0.9875336476	 2.9395865952	-1.4321973216	 0.127267
+H	 0.7614047283	 2.4097422089	-1.2246239422	 0.133433
+H	-2.4052164651	-0.4753309422	 1.276352316	 0.104248
+H	-2.9906522332	-1.0818090392	-0.2917648233	 0.118866
+H	-0.5245828924	-1.9635942059	 0.7819688275	 0.134224
+H	-0.7312585777	-1.7332832062	-0.9634179141	 0.141258
+19
+0 3754	2.7542699	1.4668511	1.1062937	3.266	76.37	-0.23973	-0.03484	0.20489	1146.7549	0.156289	-422.572466	-422.563842	-422.562898	-422.605784	32.352
+C	 0.9118579984	 2.9381295457	-0.5852903389	-0.438014
+C	-0.4988549836	 2.5658653088	-0.2125385298	 0.00509
+O	-1.3243921331	 1.9838797383	-1.2184053239	-0.27919
+C	-1.0011916939	 1.1810891589	-0.0725584238	 0.305572
+C	-2.1192541745	 0.7703251686	 0.8749356002	-0.306094
+C	-2.206897256	-0.7669657561	 0.7308514139	-0.229345
+C	-0.7525058003	-1.2023683007	 0.4778401986	-0.317545
+C	-0.154955585	-0.0596220256	-0.3418817813	 0.354215
+O	 0.785348417	-0.1319683969	-1.0917567553	-0.313413
+H	 1.5018833214	 3.128079882	 0.317930128	 0.117349
+H	 1.3820311759	 2.1408675965	-1.1604278036	 0.166596
+H	 0.9065691276	 3.858103442	-1.1794121143	 0.126653
+H	-1.0268491517	 3.3030351116	 0.3994234225	 0.088784
+H	-1.8483021698	 1.0347733907	 1.9044802149	 0.108929
+H	-3.0516158886	 1.2846827658	 0.6322274093	 0.122718
+H	-2.6525155936	-1.2480168369	 1.6042307919	 0.107106
+H	-2.8241661925	-1.0241503827	-0.1367713029	 0.119374
+H	-0.1948300963	-1.2619994499	 1.4233051154	 0.129563
+H	-0.6294312813	-2.15838802	-0.0344921808	 0.131654
+19
+0 3755	2.7346338	1.4964771	1.141864	3.4892	76.34	-0.23831	-0.02531	0.213	1110.3316	0.157544	-422.581544	-422.57336	-422.572416	-422.614182	31.821
+O	 0.8787279041	 2.7882522554	-0.2408111806	-0.426849
+C	-0.4869641738	 2.6001193524	-0.1524568336	 0.103707
+C	-1.3065399855	 2.123200663	-1.2969861928	-0.365399
+C	-1.0874515702	 1.1872431577	-0.0958827367	 0.172663
+C	-2.1941034033	 0.7235681902	 0.8410440902	-0.315822
+C	-2.1604294737	-0.8209554725	 0.7126958631	-0.218969
+C	-0.6782578112	-1.1541735037	 0.4695448214	-0.316562
+C	-0.1413189203	 0.0568981658	-0.2875399334	 0.381789
+O	 0.8993036225	 0.1066399797	-0.9190012216	-0.382126
+H	 1.2498575268	 2.0002300537	-0.6747290219	 0.303843
+H	-0.9352792069	 3.3209749905	 0.525959079	 0.112379
+H	-2.312297863	 2.5099167009	-1.4275611088	 0.120141
+H	-0.7834175756	 1.8534270345	-2.2093613693	 0.133385
+H	-1.9724076604	 1.0203001602	 1.8740119297	 0.109518
+H	-3.1731042118	 1.1395093558	 0.5881844116	 0.105649
+H	-2.5753793762	-1.324258078	 1.5888674019	 0.106557
+H	-2.7534628365	-1.1306910644	-0.1548249733	 0.111979
+H	-0.1247961647	-1.2203242135	 1.4165049928	 0.134458
+H	-0.4896113505	-2.0801892378	-0.0779279779	 0.12966
+19
+0 3756	3.6021911	1.2047731	1.017987	2.7031	79.2	-0.23922	0.0026	0.24181999999999998	1213.9142	0.156802	-422.541709	-422.533311	-422.532367	-422.574589	31.824
+C	 0.0909737439	 0.366320136	 0.1154354134	-0.427928
+C	 1.080822038	-0.7660968658	 0.013147711	 0.013014
+O	 2.2901438549	-0.6616912408	 0.7639000165	-0.299901
+C	 2.3835091116	-0.7018329853	-0.681274145	 0.363986
+C	 2.9460300292	-1.980390665	-1.2776922112	-0.161804
+O	 4.3234802407	-1.8600855632	-1.5793953134	-0.243281
+C	 4.5759615446	-0.8598967968	-2.5446469715	-0.128018
+C	 3.8823554534	 0.4384196497	-2.2373505974	-0.087811
+C	 2.8921568617	 0.5186916237	-1.348269423	-0.121655
+H	-0.4497962966	 0.303116286	 1.0654827277	 0.132455
+H	 0.5815644849	 1.3406164879	 0.0746088713	 0.130352
+H	-0.645021243	 0.3070772724	-0.6935345607	 0.123784
+H	 0.6229268504	-1.7587585664	 0.0650687563	 0.082621
+H	 2.8507802638	-2.7966441782	-0.5576191131	 0.120456
+H	 2.3749597406	-2.2407239199	-2.1864643954	 0.088554
+H	 5.6622803493	-0.7160950676	-2.5573077503	 0.122789
+H	 4.2893174938	-1.2100787258	-3.5553387028	 0.097859
+H	 4.2311699492	 1.3198639222	-2.7687398855	 0.099932
+H	 2.4386096596	 1.4717930371	-1.0996638069	 0.094596
+19
+0 3757	3.1017597	1.2608573	1.1122628	0.8339	78.76	-0.22723	0.01653	0.24375999999999998	1157.	0.157543	-422.542407	-422.53414	-422.533195	-422.575086	31.947
+O	-0.5076464473	 0.3194260986	 0.2737139065	-0.416304
+C	-1.8772209172	 0.194534982	 0.5094414932	 0.066828
+C	-2.782739498	 0.7358460768	-0.5477281637	-0.358728
+C	-2.7039860419	-0.7680823146	-0.3313536962	 0.264039
+C	-3.8926052024	-1.4685795565	 0.2971039251	-0.167654
+O	-3.5678039727	-2.7998680049	 0.6620881366	-0.248481
+C	-3.2356420346	-3.6015766394	-0.4566589821	-0.124332
+C	-2.2866992236	-2.9256501639	-1.4096064134	-0.103788
+C	-2.0196579021	-1.6215761815	-1.3306738962	-0.125174
+H	-0.0796809746	-0.4813086699	 0.5966251281	 0.290495
+H	-2.181792063	 0.3156084765	 1.550406175	 0.087732
+H	-3.6881795106	 1.2526276707	-0.2457115761	 0.113887
+H	-2.3059737516	 1.1323725018	-1.4377365006	 0.124923
+H	-4.214119167	-0.9665933032	 1.2153096713	 0.10187
+H	-4.7420054452	-1.4609823258	-0.4074034255	 0.089392
+H	-2.7831081597	-4.513383168	-0.0488981564	 0.116221
+H	-4.1504579146	-3.91619615	-0.9937846601	 0.097103
+H	-1.8244634991	-3.5509014089	-2.1684371611	 0.093114
+H	-1.3049811648	-1.1532079498	-2.0000990944	 0.098855
+19
+0 3758	3.1542965	1.3691976	1.1233244	2.0091	79.14	-0.21701	0.01566	0.23267000000000002	1126.2086	0.157581	-422.543301	-422.535206	-422.534262	-422.575691	31.882
+O	 0.6197191202	 0.4681356686	 0.8853574714	-0.432308
+C	-0.7682786936	 0.5524782058	 0.892979539	 0.084029
+C	-1.5583634893	 0.0769915461	 2.0855512965	-0.393026
+C	-1.5587890036	-0.7524165124	 0.8167946611	 0.359598
+O	-0.7400832815	-1.8965449389	 0.9072675837	-0.318168
+C	-0.6071571973	-2.574048992	-0.3469800399	-0.101577
+C	-1.9616113689	-3.0866049947	-0.8370072897	-0.260317
+C	-2.9777189087	-1.9771270868	-0.7712551567	-0.099233
+C	-2.7639584613	-0.8966513892	-0.0194510962	-0.104328
+H	 0.8268572823	-0.4665981493	 1.0277740035	 0.2898
+H	-1.1214557165	 1.4156953759	 0.3380947418	 0.103805
+H	-0.9927000242	-0.334082463	 2.9151843901	 0.126635
+H	-2.4757018898	 0.5880432737	 2.3586036168	 0.116275
+H	-0.1707496611	-1.8948098204	-1.0932051433	 0.1081
+H	 0.0963509885	-3.3910906369	-0.1681947164	 0.108548
+H	-1.8579919951	-3.4563256844	-1.8648981911	 0.107144
+H	-2.2828656776	-3.9446993799	-0.2309921146	 0.118694
+H	-3.8856211725	-2.0694445883	-1.3594790192	 0.091794
+H	-3.4743494399	-0.0754006737	 0.0079284132	 0.094537
+19
+0 3759	3.2735806	0.9423888	0.829061	0.9051	79.11	-0.23594	-0.07772	0.15822000000000003	1463.8945	0.153856	-422.580558	-422.570421	-422.569477	-422.616786	35.306
+C	 2.4035250363	 1.5248898727	-2.2638298728	-0.410901
+C	 1.2306914262	 0.5908646093	-2.0835954988	 0.022216
+C	-0.1688416041	 1.0893175516	-2.0766816135	-0.279442
+C	 0.4497394841	 0.609499639	-0.7650514425	-0.132613
+C	-0.0082191491	-0.6875842036	-0.2337299558	 0.264901
+O	-0.3799601112	-1.6183848713	-0.9222625695	-0.322462
+C	 0.0053942128	-0.8469600799	 1.3082159602	 0.304469
+C	-0.4581136936	-2.1832066712	 1.832556949	-0.473261
+O	 0.3715410268	 0.0663694275	 2.0111871673	-0.276065
+H	 3.3104912111	 1.1224363053	-1.8010514439	 0.125982
+H	 2.6118199728	 1.6826229492	-3.327864175	 0.125402
+H	 2.2040407896	 2.5037107824	-1.8156489449	 0.120455
+H	 1.3569970768	-0.4108816043	-2.4855586726	 0.109889
+H	-0.3436300962	 2.1565371422	-2.1624317873	 0.11966
+H	-0.9409270223	 0.4506153455	-2.4911563866	 0.134697
+H	 0.7256952889	 1.3489103754	-0.0254183735	 0.116453
+H	-0.414749541	-2.1869540223	 2.9217372677	 0.138586
+H	-1.4764155434	-2.3877363949	 1.4874651817	 0.156242
+H	 0.1658828757	-2.9827489525	 1.4208640205	 0.155791
+19
+0 3760	2.8893718	1.0342588	0.9001809	2.0238	78.22	-0.24694	-0.02621	0.22072999999999998	1372.407	0.155314	-422.537946	-422.528675	-422.527731	-422.572774	33.259
+C	 1.7890179523	 0.4120611215	 1.5556508683	-0.411633
+C	 0.8263039576	 0.9182798589	 0.5077914528	 0.022862
+C	-0.1256780581	 0.0042943759	-0.1789887555	-0.283605
+C	 1.0585492135	 0.5668180217	-0.9614923776	-0.145346
+C	 0.7749342113	 1.6264459418	-1.9595108662	 0.361881
+O	-0.1028006663	 2.4564784688	-1.8203708401	-0.346199
+C	 1.6193581529	 1.660172868	-3.2070779285	-0.010436
+C	 1.8111758371	 0.4424444753	-4.0212191849	-0.178973
+O	 2.8614308964	 0.9511933665	-3.2125246939	-0.218641
+H	 2.1161697961	-0.6089423174	 1.3330249031	 0.116423
+H	 2.680817087	 1.0442175721	 1.6179501872	 0.126155
+H	 1.3159982062	 0.4012231257	 2.5438429066	 0.123941
+H	 0.4642844377	 1.9333068551	 0.6455897407	 0.112376
+H	-0.0927128338	-1.0544985654	 0.0560036719	 0.114512
+H	-1.0982663816	 0.395463904	-0.4555651316	 0.134649
+H	 1.8872386562	-0.0936705714	-1.183952826	 0.10595
+H	 1.6221042753	 2.6259614674	-3.7087565265	 0.116966
+H	 1.3754125633	-0.4988801217	-3.6902806607	 0.127439
+H	 1.9457779667	 0.5484504431	-5.096198799	 0.13168
+19
+0 3761	3.5860073	0.9319941	0.8650976	2.3076	78.4	-0.24562	-0.0252	0.22042	1426.2406	0.155281	-422.542197	-422.532913	-422.531969	-422.577032	33.345
+C	 0.6289426015	 0.5392985022	-2.3266919206	-0.417424
+C	 1.2462849493	 0.4905261139	-0.9540107594	 0.071727
+O	 1.5829273642	-0.7917242985	-0.4325868584	-0.24327
+C	 0.5229091477	-0.0722278226	 0.2082830099	-0.045519
+C	 0.7482642313	 0.4627307554	 1.5968951787	 0.366187
+O	-0.2103330144	 0.802327153	 2.2632223238	-0.346591
+C	 2.1499277134	 0.5676954534	 2.0788306131	-0.119524
+C	 2.3706078384	 0.429330377	 3.5787875367	-0.252718
+C	 2.4929393445	 1.7719400328	 2.9502619747	-0.253783
+H	 0.1414280982	 1.5055779161	-2.4916981229	 0.131987
+H	 1.398352985	 0.4133310606	-3.0954531984	 0.134221
+H	-0.1121746243	-0.25472672	-2.4472637602	 0.134505
+H	 1.9956783718	 1.2562757727	-0.7455342218	 0.100902
+H	-0.4800720308	-0.4644629377	 0.0483932732	 0.111455
+H	 2.9124613335	 0.1753865803	 1.4190516668	 0.110773
+H	 1.479483499	 0.2314531144	 4.1633522241	 0.140333
+H	 3.2681736671	-0.0891470053	 3.894942559	 0.120458
+H	 1.6847718643	 2.475468508	 3.1145287819	 0.137305
+H	 3.4770178102	 2.2074758644	 2.8206006098	 0.118975
+19
+0 3762	4.1481594	0.8463138	0.8016417	1.6725	79.14	-0.24307	-0.01448	0.22859000000000002	1484.6332	0.155753	-422.546917	-422.537654	-422.53671	-422.581874	33.7
+O	 0.9791638706	 2.3480467042	 1.3309100918	-0.425329
+C	 0.6113123253	 1.1912421972	 0.6442552541	 0.121057
+C	 0.7043804141	-0.1366251	 1.310600257	-0.315545
+C	 1.7557417188	 0.2649642438	 0.2766104836	-0.148531
+C	 1.7007440006	-0.3851986112	-1.0621717824	 0.389103
+O	 0.6461236652	-0.7910460464	-1.5230281451	-0.369515
+C	 2.9797177987	-0.5038564165	-1.8178806171	-0.113856
+C	 2.9020509871	-0.3999308411	-3.3357266733	-0.246649
+C	 3.1481185561	-1.7273507247	-2.7103460563	-0.248456
+H	 0.2796130686	 2.5528339248	 1.9605390162	 0.291366
+H	-0.1495736431	 1.3113886652	-0.1253960001	 0.1116
+H	 1.0344210669	-0.1606956594	 2.3428937508	 0.117861
+H	 0.0111419856	-0.9097822529	 0.9992398544	 0.138222
+H	 2.7257088522	 0.5622990879	 0.65679041	 0.098864
+H	 3.8674931974	-0.111640164	-1.3357009102	 0.088542
+H	 1.9128998318	-0.2134195584	-3.7372809605	 0.138503
+H	 3.7185772704	 0.1072108369	-3.8365005795	 0.117587
+H	 2.3236343192	-2.4305908421	-2.6923672392	 0.138202
+H	 4.1391508044	-2.1624886432	-2.7674269242	 0.116973
+19
+0 3763	3.0940872	0.8291301	0.7344441	3.0959	79.81	-0.24545	-0.0359	0.20955000000000001	1586.9772	0.154051	-422.573065	-422.563147	-422.562202	-422.609769	34.456
+C	-0.2591034292	 4.0383336676	-1.0375378607	-0.412874
+C	-0.5350610791	 2.6288142899	-1.5041385711	 0.02774
+C	-1.8902481908	 2.0270275441	-1.4065360861	-0.276508
+C	-0.7933919708	 1.5268126878	-0.4697998401	-0.136558
+C	-0.2158858612	 0.1887327249	-0.7455620156	 0.363551
+O	-0.1448844956	-0.2730918744	-1.8681219895	-0.342333
+C	 0.33384113	-0.609592344	 0.4379326556	-0.380396
+C	 1.7745579936	-1.0315523185	 0.1812077261	 0.162866
+O	 2.6441547072	-0.9840028226	 1.00969285	-0.234878
+H	 0.7876706273	 4.1650034454	-0.7426557661	 0.127349
+H	-0.4712364343	 4.7577138027	-1.8360647869	 0.127856
+H	-0.8852907401	 4.3025043379	-0.1790095218	 0.117587
+H	 0.058720406	 2.282387222	-2.3452157572	 0.114089
+H	-2.6862342177	 2.6066557953	-0.9511488147	 0.118254
+H	-2.1952542099	 1.3290706644	-2.177794471	 0.138911
+H	-0.844974812	 1.833928683	 0.5684689375	 0.091949
+H	 0.2670940153	-0.0913994386	 1.3959696155	 0.126557
+H	-0.2581524207	-1.5336148338	 0.4935468185	 0.157468
+H	 1.9559577221	-1.3925906831	-0.8518377025	 0.109371
+19
+0 3764	2.3292129	1.2180135	0.976392	1.4288	77.49	-0.23981	0.032	0.27181	1278.1083	0.152268	-422.50696	-422.496326	-422.495382	-422.542382	38.719
+C	 2.2239180099	-0.8952065202	-2.0397026151	-0.393531
+C	 1.661911851	 0.4858948913	-1.6736250135	 0.136628
+O	 0.2648379106	 0.4350179388	-1.9935222351	-0.448949
+C	 2.318708494	 1.5391938532	-2.4621527058	 0.313668
+C	 2.833451419	 2.4196805696	-3.0988495756	-0.482551
+C	 1.8638538093	 0.7684746939	-0.1793265181	-0.065857
+C	 0.9537188737	 0.1330311341	 0.8595289726	-0.341563
+C	 0.9152710643	 1.6183153392	 0.6125754944	 0.142508
+O	 1.3479085682	 2.5624848891	 1.547204296	-0.430964
+H	 1.6882290681	-1.6606871063	-1.472412293	 0.128336
+H	 2.0888714068	-1.0839361157	-3.1067729467	 0.129711
+H	 3.2883125438	-0.9541834354	-1.7990543139	 0.120106
+H	-0.0324396569	 1.3366190364	-2.1542493605	 0.290477
+H	 3.2911243201	 3.1937362435	-3.6643378245	 0.201264
+H	 2.9122226277	 0.8550727772	 0.0982552793	 0.085853
+H	 0.1136082852	-0.4533748517	 0.5042810534	 0.129992
+H	 1.4137245138	-0.2264654647	 1.7746745742	 0.104608
+H	 0.0355148754	 1.9970324697	 0.1039259187	 0.097751
+H	 2.182937876	 2.266411048	 1.9225922931	 0.282512
+19
+0 3765	2.5103982	1.1699188	0.9794721	2.0545	77.83	-0.25572	0.03093	0.28665	1301.5071	0.152168	-422.508415	-422.497906	-422.496962	-422.543686	38.044
+C	 3.397964904	 2.1251928214	-3.2809119074	-0.425186
+C	 3.6164848716	 1.658627522	-1.8660783503	 0.082913
+O	 4.5107383891	 0.5422773815	-1.6868773075	-0.27316
+C	 3.1332942278	 0.361861588	-1.3840564222	 0.056153
+C	 2.786780945	 0.0862474465	 0.0817469303	 0.136851
+C	 3.3751854077	-1.2756313436	 0.4954088646	-0.419127
+O	 3.3652437813	 1.1319307198	 0.8586631304	-0.44503
+C	 1.3214340983	 0.0854903713	 0.2253091353	 0.322268
+C	 0.1270210478	 0.0822402138	 0.361848834	-0.496423
+H	 3.2562019734	 1.2772465293	-3.9565637546	 0.124245
+H	 2.514993465	 2.7708010347	-3.3380004595	 0.124841
+H	 4.2593326313	 2.7029246421	-3.6320037408	 0.129446
+H	 3.7527551188	 2.4351562041	-1.1168269028	 0.114387
+H	 2.5938993629	-0.2876308364	-2.0750062875	 0.095151
+H	 3.1437192707	-1.4875933456	 1.5437320215	 0.113006
+H	 2.960712476	-2.0845810983	-0.1128061091	 0.125719
+H	 4.4586340958	-1.2406891898	 0.3617747896	 0.147147
+H	 3.1055164966	 0.9911930902	 1.7749677268	 0.285194
+H	-0.9286356231	 0.0861816389	 0.4803732095	 0.201604
+19
+0 3766	2.3927094	1.0611549	0.7814911	3.9648	77.6	-0.24573	-0.03651	0.20922000000000002	1459.1122	0.153352	-422.559414	-422.549272	-422.548328	-422.59603	34.733
+C	 1.4971819609	 3.0101149208	 2.6785964604	-0.410751
+C	 0.9879445791	 2.9710016216	 1.2551386078	 0.001647
+C	-0.2785385513	 3.6904402175	 0.8683256744	-0.295208
+C	-0.2519437658	 2.1791656457	 0.9030614517	-0.026074
+C	-0.3308866145	 1.3843294924	-0.3981250755	-0.208257
+C	 0.2638702475	 0.0001460077	-0.1934985755	 0.14906
+O	-0.3159207178	-1.031774671	-0.4141354776	-0.237526
+C	-1.7696942572	 1.3109422732	-0.8873147574	 0.179253
+O	-2.1691908211	 1.8667740498	-1.8762837514	-0.250539
+H	 2.1312045698	 2.1450483776	 2.9015773637	 0.121971
+H	 2.0882426239	 3.9143346334	 2.8595666142	 0.125741
+H	 0.6679298076	 3.0086663095	 3.3937129637	 0.119042
+H	 1.7687418258	 2.9690724686	 0.4980758794	 0.09012
+H	-0.8334837395	 4.2010050092	 1.6481796659	 0.119419
+H	-0.3300757853	 4.1704144639	-0.1029846173	 0.128331
+H	-0.7687554222	 1.7121563441	 1.7385594208	 0.098076
+H	 0.2607727024	 1.8986896294	-1.1669448074	 0.114658
+H	 1.3039477021	 0.008516735	 0.2036168008	 0.088599
+H	-2.4499306943	 0.7249388516	-0.2334377907	 0.092439
+19
+0 3767	2.3244511	1.3568642	0.970172	2.0489	76.74	-0.25524	-0.03562	0.21962000000000004	1257.9965	0.154469	-422.532037	-422.522711	-422.521766	-422.566529	33.764
+C	 0.3786353061	-3.0559179783	 3.3921419476	-0.40969
+C	-0.111014143	-1.7214753502	 2.8796780732	 0.015699
+C	-0.9962705041	-1.6286705354	 1.6611224477	-0.315029
+C	 0.4323617362	-1.1516765909	 1.5906893795	-0.09637
+C	 0.7472705706	 0.3058238433	 1.4929232335	 0.274834
+C	 0.0192406333	 1.2146597317	 0.5738705955	-0.216059
+O	-0.2416490893	 1.2346416757	 1.9689391973	-0.260568
+C	 2.1454159262	 0.7311038971	 1.8377206789	 0.129578
+O	 3.076029	-0.0234172525	 1.9513665689	-0.253623
+H	-0.3625307857	-3.5239564718	 4.0493571564	 0.117627
+H	 0.5721391777	-3.7474107737	 2.5650627111	 0.113839
+H	 1.3099775469	-2.9468072001	 3.9578829063	 0.127197
+H	-0.3265962139	-0.9839949589	 3.6484414168	 0.097313
+H	-1.246803941	-2.5439999786	 1.1350723546	 0.109947
+H	-1.7778521478	-0.8770008563	 1.6686896667	 0.121721
+H	 1.144478582	-1.7740820863	 1.0581038769	 0.10305
+H	 0.5036430827	 2.1056812128	 0.1761664201	 0.123858
+H	-0.7595186814	 0.7779626208	-0.0481139402	 0.131654
+H	 2.2462254146	 1.8307532014	 1.9789813892	 0.085023
+19
+0 3768	2.3900555	1.3274623	0.9617185	1.62	76.96	-0.25197	-0.02067	0.23130000000000003	1265.3511	0.154567	-422.539513	-422.530165	-422.529221	-422.574047	33.77
+C	 1.1491927041	-2.4379872148	 0.5666838828	-0.417094
+C	 1.104874526	-1.0429975512	 1.1292014494	 0.080382
+O	 0.1133446251	-0.1547080063	 0.5807160323	-0.272926
+C	 1.4942975539	 0.1370033055	 0.3482506773	-0.030565
+C	 2.0255475998	 1.3929881731	 0.9740942809	 0.222008
+C	 1.2282823771	 2.6887554418	 0.8145365564	-0.302248
+C	 1.2857151628	 2.0251043739	 2.1455428713	-0.308777
+C	 3.4991001109	 1.5379064775	 0.9589750872	 0.109409
+O	 4.2637839355	 0.7241165752	 0.5000418872	-0.271616
+H	 0.3273986819	-3.0425307146	 0.9642109847	 0.127988
+H	 1.0663258523	-2.4197498221	-0.523163693	 0.129515
+H	 2.091307119	-2.9257146181	 0.8377698908	 0.131792
+H	 1.1951029122	-0.9675565668	 2.2138932	 0.088785
+H	 1.8231197864	-0.027927946	-0.6778314554	 0.103272
+H	 1.7848750127	 3.6070816018	 0.6606363656	 0.124923
+H	 0.3114005359	 2.6029906625	 0.243274325	 0.146034
+H	 1.8814669441	 2.4769682897	 2.9313808591	 0.122682
+H	 0.4039651596	 1.4889317305	 2.4752919683	 0.148503
+H	 3.8689479208	 2.4879245883	 1.4126675703	 0.067934
+19
+0 3769	2.4281461	1.2551627	1.0080481	1.7436	77.22	-0.24919	-0.01918	0.23001	1243.0413	0.155212	-422.535884	-422.526736	-422.525792	-422.569783	34.137
+O	 3.4171637538	 0.5495435687	 1.5096695664	-0.427969
+C	 2.5145811187	-0.4113951495	 1.0357337268	 0.078969
+C	 1.1100563797	-0.4575079018	 1.5869015801	-0.344466
+C	 1.3858167439	 0.1284813752	 0.2113689533	-0.107862
+C	 0.9101042397	-0.476952165	-1.0767917439	 0.267022
+C	-0.1861262903	 0.2591918988	-1.8531375387	-0.305994
+C	 1.2059005992	 0.2786936663	-2.377219032	-0.304364
+C	 0.8730761978	-1.9488107435	-1.2449708967	 0.109323
+O	 1.2210082356	-2.7713609945	-0.4313140133	-0.283514
+H	 3.7336485244	 0.2535358864	 2.3697146425	 0.285937
+H	 2.9516584218	-1.3600369192	 0.7362884178	 0.108394
+H	 0.6330883973	-1.4267823893	 1.6524982356	 0.133629
+H	 0.8582058291	 0.2492985305	 2.3702219274	 0.106863
+H	 1.3727010174	 1.2152402564	 0.1924983915	 0.091462
+H	-0.9279636768	-0.3365100166	-2.3747033496	 0.124777
+H	-0.5808662244	 1.1491069385	-1.3766838288	 0.132743
+H	 1.4343524753	-0.3037876476	-3.263616705	 0.125593
+H	 1.7970977569	 1.180674501	-2.269502996	 0.137786
+H	 0.4784938207	-2.2678064045	-2.2391545876	 0.071671
+19
+0 3770	4.1718808	1.0496065	1.0017302	2.3805	76.67	-0.23806	0.08395	0.32201	1267.6941	0.155631	-422.471289	-422.462934	-422.461989	-422.504772	31.454
+C	 2.5769567043	 4.6224419468	 1.847957818	-0.420518
+C	 1.9847545938	 3.2652220736	 1.5743250673	 0.087622
+O	 2.7320379682	 2.394664529	 0.7126153649	-0.256894
+C	 1.4684022328	 2.8805906382	 0.2526058379	-0.154443
+C	 0.3847239393	 1.8740777587	 0.101508366	 0.44835
+C	-1.1168247569	 2.0940123212	-0.2335718804	-0.262555
+C	-0.8913158702	 0.6201518534	 0.1765775248	 0.04557
+C	 0.3613303062	 0.5569092362	-0.7247551992	-0.254627
+O	-0.0342964356	 1.088855599	 1.2924163537	-0.338659
+H	 3.3960619106	 4.5439232852	 2.5702747646	 0.131893
+H	 2.9708247356	 5.0687873221	 0.9308032126	 0.125488
+H	 1.8207714714	 5.2931857557	 2.2697692422	 0.12424
+H	 1.5470836541	 2.7500242678	 2.4288369346	 0.115808
+H	 1.5286819037	 3.6019645455	-0.5648003074	 0.091157
+H	-1.6667041223	 2.6980959808	 0.4891153426	 0.1083
+H	-1.3875013776	 2.3076789362	-1.2707678987	 0.095803
+H	-1.622788055	-0.1540788781	 0.4045146674	 0.09882
+H	 1.1124689279	-0.1755360144	-0.430338168	 0.120206
+H	 0.2254932	 0.6309907131	-1.806639503	 0.094439
+19
+0 3771	4.0018606	1.0558476	0.9961451	2.4234	76.27	-0.23347	0.08163	0.3151	1243.9779	0.156223	-422.474277	-422.466055	-422.46511	-422.507392	31.799
+O	 3.7161407038	 3.2841000147	 1.1604372971	-0.424622
+C	 2.7304782522	 2.3964454955	 0.7203321787	 0.102334
+C	 2.3090390212	 2.5344552207	-0.7069721141	-0.300751
+C	 1.3483805577	 2.9226671108	 0.4026251345	-0.232758
+C	 0.1560776879	 2.084075765	 0.6752187571	 0.440149
+C	-0.6053039113	 1.8247642099	 2.0094533962	-0.260417
+C	-1.1025005117	 0.8291174625	 0.9402477437	 0.050102
+C	-1.1961779045	 1.9748761591	-0.0897127981	-0.256931
+O	 0.3040800158	 0.6053421481	 0.5273635963	-0.344088
+H	 3.5759121822	 3.441030756	 2.1000758549	 0.28476
+H	 2.7861164863	 1.3869875773	 1.1244031004	 0.106612
+H	 2.7612069596	 3.3407836231	-1.2725743482	 0.121017
+H	 2.098427099	 1.6270853252	-1.2608451779	 0.131368
+H	 1.2024846071	 3.9873908038	 0.5601772677	 0.092884
+H	-0.0036238741	 1.3880481862	 2.8077987062	 0.102233
+H	-1.2984423642	 2.5923596133	 2.3635763866	 0.092545
+H	-1.7316182184	-0.0528084686	 1.0552456114	 0.095971
+H	-1.1113779272	 1.6711066985	-1.1336235796	 0.107204
+H	-1.9430077016	 2.7564366689	 0.0723787272	 0.09239
+19
+0 3772	4.2267061	1.0239017	0.9321819	0.1402	76.81	-0.23372	0.06154	0.29526	1314.959	0.155728	-422.49135	-422.482793	-422.481848	-422.524897	31.884
+C	 1.8055286191	 4.9828863947	 4.2769424769	-0.418989
+C	 1.4212117204	 4.0201599561	 3.1854425766	 0.082334
+O	 1.167462478	 2.6647144727	 3.5806008814	-0.256441
+C	 2.3033914726	 2.9233643443	 2.7510082158	-0.084433
+C	 2.2422300282	 2.3557892057	 1.382509563	 0.492578
+C	 1.0148549555	 1.9388668589	 0.6398277956	-0.341693
+C	 2.1406980413	 0.9411319209	 0.846192138	-0.19209
+C	 3.3230503322	 1.3337023671	-0.0299670798	-0.091734
+O	 3.3002792605	 2.6987219486	 0.4768035648	-0.333209
+H	 2.5402334358	 4.5339256698	 4.9506382524	 0.128688
+H	 2.2333407409	 5.8950086417	 3.8477315335	 0.127972
+H	 0.9280143761	 5.2671031214	 4.8669848971	 0.13026
+H	 0.7093038365	 4.3935100948	 2.4482350064	 0.0951
+H	 3.2683513837	 2.8160972503	 3.2489848465	 0.09352
+H	 0.1458125338	 1.7603824983	 1.2640518387	 0.134006
+H	 0.8170817879	 2.3541000833	-0.3451107846	 0.110644
+H	 2.0089656314	 0.0014995634	 1.3645658721	 0.108223
+H	 4.2616142461	 0.8402637741	 0.2459341963	 0.110319
+H	 3.18949341	 1.294175934	-1.1176134908	 0.104946
+19
+0 3773	4.1908032	0.9892934	0.9208782	2.7273	76.4	-0.23343	0.07125	0.30468	1327.9699	0.155688	-422.488808	-422.480237	-422.479293	-422.522386	31.878
+C	-0.023579066	-0.3174286382	 3.3293862268	-0.419091
+C	-0.4537586276	 1.0826520003	 2.9773350557	 0.070508
+O	-1.3122719151	 1.2290170865	 1.8389192902	-0.261126
+C	 0.0121414535	 1.7801700655	 1.767354196	-0.086197
+C	 0.121399421	 3.2528304176	 1.6811475327	 0.30269
+C	 1.3737469828	 3.9876371749	 1.2334271278	-0.361368
+C	 0.0900006511	 4.2067287789	 0.4995939368	 0.059129
+O	-0.7382225549	 5.1476630056	 1.1795159686	-0.284643
+C	-0.8321710928	 4.2571591361	 2.3257762124	-0.14805
+H	-0.8447728516	-0.8642365556	 3.8044341957	 0.131383
+H	 0.2795625835	-0.8665741494	 2.4337983195	 0.127607
+H	 0.8175662842	-0.296865164	 4.0306065984	 0.123644
+H	-0.7490552291	 1.7051871771	 3.8248684654	 0.087628
+H	 0.684248516	 1.2315270995	 1.1043927606	 0.08544
+H	 1.7935978238	 4.7863439319	 1.8392374367	 0.116799
+H	 2.1018233499	 3.3629975061	 0.7233418549	 0.11686
+H	-0.069626567	 4.0561100587	-0.5619499455	 0.110776
+H	-0.515757132	 4.7419364127	 3.2569272642	 0.102378
+H	-1.8491262795	 3.8644060459	 2.424484323	 0.125633
+19
+0 3774	4.2164206	0.9953518	0.9310541	0.4625	76.7	-0.24833	0.07053	0.31886	1330.0076	0.155447	-422.500424	-422.491792	-422.490848	-422.534061	32.068
+C	-1.5014660332	 3.4114144857	-9.8103396945	-0.419907
+C	-1.293628686	 3.447799635	-8.3193087663	 0.077262
+O	-0.2765905259	 4.3307423002	-7.8280076519	-0.260443
+C	-0.079258524	 2.9183128808	-7.6786278449	-0.09866
+C	-0.0777785359	 2.4091076939	-6.2893667137	 0.464778
+C	-0.9239229475	 2.8673646395	-5.0904574825	-0.305035
+C	 0.2499982368	 2.4136890124	-4.1519151366	-0.241254
+C	 1.0255090703	 1.9833985887	-5.4041146699	-0.053166
+O	 0.220534848	 1.0186365429	-6.095494638	-0.297539
+H	-2.0877504398	 2.530964096	-10.0938388695	 0.127308
+H	-2.0450620402	 4.30102857	-10.1449791271	 0.130613
+H	-0.5428959622	 3.3779672822	-10.3350381758	 0.129257
+H	-2.2040972012	 3.4614439857	-7.717533628	 0.093038
+H	 0.6959866477	 2.4897395899	-8.3148073896	 0.094211
+H	-1.0788521422	 3.9477141169	-5.0771655655	 0.124654
+H	-1.8788362347	 2.3499711655	-4.9728681227	 0.106324
+H	 0.7129483395	 3.2514361651	-3.6259306077	 0.111064
+H	 0.0340946012	 1.6096104061	-3.4448535443	 0.113
+H	 2.0957717893	 1.9427316738	-5.5734759912	 0.104493
+19
+0 3775	3.8584439	1.0402651	0.9711378	2.734	76.59	-0.22141	0.07312	0.29453	1271.35	0.155655	-422.488995	-422.480232	-422.479288	-422.522907	32.672
+O	 1.77620744	-2.7538758743	 5.3130112371	-0.424329
+C	 1.1605076516	-1.5981233576	 4.8270514941	 0.144707
+C	 1.2782346976	-0.263706038	 5.5023365391	-0.344033
+C	 1.9396942773	-0.4942961017	 4.1475222362	-0.200532
+C	 1.4038061834	 0.141639505	 2.9252325626	 0.500366
+C	 2.0266750333	 0.17344974	 1.5647206511	-0.337382
+C	 1.5970185481	 1.4754179724	 2.2188627537	-0.191132
+C	 0.0781462375	 1.5461157111	 2.216148579	-0.087548
+O	-0.0278061517	 0.2214181055	 2.8086428802	-0.325025
+H	 2.5469074451	-2.4991566922	 5.8298352128	 0.281929
+H	 0.1984004589	-1.8471992199	 4.3944595247	 0.130656
+H	 0.3973698603	 0.367860198	 5.5358194792	 0.127065
+H	 1.9333314365	-0.1802053664	 6.3649140053	 0.102314
+H	 3.0200697537	-0.6101024319	 4.1539801999	 0.083938
+H	 3.1012047216	 0.018595084	 1.5391153673	 0.113762
+H	 1.4837611711	-0.2254857583	 0.7111983477	 0.113353
+H	 2.2760147657	 2.2928487892	 2.4200104966	 0.099161
+H	-0.3317780623	 2.3028764889	 2.8942409867	 0.108341
+H	-0.4306663876	 1.6037990161	 1.2462447367	 0.104391
+19
+0 3776	4.0355014	0.9803293	0.8756546	0.9221	75.58	-0.22443	0.0737	0.29813	1331.6375	0.15623	-422.488069	-422.479605	-422.478661	-422.521642	32.194
+O	 0.7258428346	 4.1803877044	 0.0339007567	-0.420898
+C	 0.7363136915	 2.9287219312	 0.6539228619	 0.109987
+C	 0.8002404023	 1.7455133447	-0.2532923068	-0.309476
+C	 1.9970043086	 2.0837265408	 0.6190792841	-0.199286
+C	 2.4099727237	 1.265178837	 1.7849016178	 0.298045
+C	 1.676527331	 0.0582521069	 2.3466962211	-0.35382
+C	 3.1090242539	-0.0745784899	 1.9339232979	 0.051227
+O	 3.9789122788	 0.3936017155	 2.9652060297	-0.286803
+C	 3.4162974983	 1.7269880792	 2.8446702521	-0.132929
+H	 1.1770845385	 4.8036551525	 0.6129696246	 0.285239
+H	 0.1109637744	 2.8413972488	 1.5425407962	 0.08833
+H	 0.1949596964	 0.8793776883	-0.0125413768	 0.114664
+H	 0.8983880132	 1.9550762528	-1.3120840251	 0.126045
+H	 2.8178362537	 2.5529514972	 0.0806072735	 0.089697
+H	 1.4183650534	 0.0031966898	 3.4014656274	 0.112241
+H	 0.9568600523	-0.3949411493	 1.6722169777	 0.116689
+H	 3.5001163693	-0.7889725033	 1.2186389463	 0.106093
+H	 3.0224263794	 2.1042475503	 3.7966276222	 0.101703
+H	 4.1663730068	 2.4247620832	 2.4525457397	 0.103252
+19
+0 3777	4.1902794	1.0156237	0.9173877	1.093	76.33	-0.23999	0.07919	0.31918	1305.9617	0.15605	-422.501839	-422.493344	-422.492399	-422.535177	32.359
+O	 3.506554138	 1.3877021303	 15.3321519592	-0.426932
+C	 3.8557944537	 2.730537626	 15.1641985818	 0.102958
+C	 5.0777434409	 3.0923154808	 14.3609405529	-0.332298
+C	 3.6911780923	 3.281495364	 13.7759789665	-0.169964
+C	 3.1333718011	 4.636907865	 13.5771304612	 0.438837
+C	 1.6893084802	 5.0335210571	 13.2080002017	-0.293858
+C	 2.2621667778	 6.337493302	 12.5487493812	-0.237604
+C	 3.6637166993	 5.8712338887	 12.9600516604	-0.045622
+O	 3.6467818928	 5.7067791215	 14.3875333651	-0.291562
+H	 4.0981107826	 1.0089788582	 15.9910972211	 0.287562
+H	 3.5920741812	 3.3909608013	 15.9893885768	 0.101244
+H	 5.6252622155	 3.9828733752	 14.6465337809	 0.127059
+H	 5.6680709621	 2.2749078153	 13.9626008697	 0.110664
+H	 3.3803876624	 2.5478780402	 13.038163316	 0.09813
+H	 1.2313920281	 4.3614453999	 12.4781174017	 0.107075
+H	 1.0163196734	 5.160875732	 14.0589461702	 0.109291
+H	 2.1155375379	 6.3604763613	 11.4663011028	 0.105138
+H	 1.9460603833	 7.2899019659	 12.9806267536	 0.110883
+H	 4.6245480474	 6.0832506654	 12.5043717573	 0.098999
+19
+0 3778	4.689733	0.8683389	0.8113369	2.5391	80.56	-0.22884	0.00468	0.23351999999999998	1463.2011	0.156098	-422.536683	-422.527724	-422.52678	-422.57125	31.882
+C	-1.3492436247	-1.8595181917	 3.4368497258	-0.418639
+C	-0.5534146104	-1.3324580588	 2.2714121171	 0.067717
+O	-0.636119888	-2.0637035504	 1.0480815339	-0.257671
+C	-1.204238969	-0.7388780679	 1.0839849417	-0.069942
+C	-0.5680460153	 0.2814816526	 0.2356285002	 0.333566
+C	-1.1586006309	 1.3025103394	-0.3833441944	-0.234979
+C	-0.1423188552	 2.1024123774	-1.1440125541	-0.100122
+O	 1.0969708143	 1.433404136	-0.9287957437	-0.268431
+C	 0.9079355485	 0.303281104	-0.0834086691	-0.158039
+H	-0.8566655637	-2.7350619083	 3.87256921	 0.132723
+H	-1.4365106111	-1.0977758777	 4.2188828558	 0.125279
+H	-2.353098973	-2.1548388996	 3.1198283233	 0.128792
+H	 0.4557622071	-0.9941271408	 2.5115197327	 0.093732
+H	-2.2947900161	-0.7266856094	 1.0803650813	 0.089515
+H	-2.2137769728	 1.5458488247	-0.3626534293	 0.101409
+H	-0.3633828679	 2.1442950243	-2.2227368323	 0.107197
+H	-0.0739132557	 3.14420195	-0.7902959138	 0.104655
+H	 1.2269053699	-0.6151888621	-0.5960802257	 0.122398
+H	 1.5326191542	 0.4061152582	 0.8182584805	 0.100838
+19
+0 3779	4.2027039	0.8943824	0.7924434	2.9096	79.03	-0.22312	0.01931	0.24243	1444.2071	0.156522	-422.537169	-422.528295	-422.527351	-422.571631	32.253
+O	 0.3069856412	-3.0941703071	 2.029226883	-0.421881
+C	 0.1386086937	-1.7087411396	 2.0093284264	 0.108767
+C	-1.1983746133	-1.1098004521	 2.3519525478	-0.333691
+C	-0.7382779648	-1.1632811397	 0.9078598427	-0.141135
+C	-0.3414981468	 0.041116319	 0.1534503071	 0.307995
+C	-0.4572470458	 1.3304215819	 0.4669000921	-0.228987
+C	 0.1227475979	 2.1848979529	-0.6227422661	-0.100172
+O	 0.580458027	 1.2691336462	-1.6149403077	-0.266053
+C	 0.3307329067	-0.0662972814	-1.1955623632	-0.148984
+H	 0.3587359464	-3.3749557574	 2.9491871325	 0.28897
+H	 1.0252583553	-1.1254206086	 2.2574367026	 0.093011
+H	-1.9884989372	-1.7964996899	 2.6345823134	 0.117064
+H	-1.2208853292	-0.1507809118	 2.857465096	 0.115324
+H	-1.1944757786	-1.9509305166	 0.3128695385	 0.102617
+H	-0.9084575172	 1.7420342569	 1.3607837651	 0.095781
+H	-0.6209880428	 2.8699930665	-1.0611786643	 0.102709
+H	 0.9629432115	 2.8070135405	-0.2728529857	 0.101098
+H	-0.3078085235	-0.5806231569	-1.9326044192	 0.101196
+H	 1.2757600896	-0.6305373628	-1.1413204711	 0.106372
+19
+0 3780	4.61757	0.9126501	0.8835671	2.1989	76.9	-0.24015	0.08395	0.3241	1386.2812	0.155949	-422.466525	-422.458273	-422.457329	-422.499841	31.046
+C	 4.7097213369	-1.4289434626	-1.8484553882	-0.417587
+C	 3.7618040348	-0.2625967792	-1.7405342043	 0.072155
+O	 4.0857643878	 0.744767629	-0.7774615718	-0.267724
+C	 2.90264367	-0.0464334892	-0.5668991201	 0.021917
+C	 1.6047067336	 0.6945965214	-0.6602882631	 0.000501
+C	 0.2801583595	-0.0832954137	-0.4107238101	 0.034408
+C	-0.4285692931	 1.246654113	-0.065145441	-0.223299
+C	 0.9373204228	 1.1918566697	 0.6563474573	 0.03954
+O	 0.6525308657	-0.2194429518	 1.019590476	-0.315651
+H	 4.9949566723	-1.7883428907	-0.8562432301	 0.12954
+H	 4.2453391365	-2.2533027158	-2.4004321141	 0.120672
+H	 5.6203189726	-1.137334816	-2.3822835434	 0.128549
+H	 3.4140843942	 0.1434332004	-2.6935104795	 0.08222
+H	 2.9727311189	-0.7505124734	 0.2597498427	 0.105626
+H	 1.602217246	 1.4035813357	-1.4934847132	 0.077951
+H	-0.1081150385	-0.9695127573	-0.913835125	 0.096868
+H	-0.5671629026	 1.9837518599	-0.8599023448	 0.099165
+H	-1.2958230948	 1.145320312	 0.5873693388	 0.112011
+H	 1.3442434573	 1.8385297787	 1.433466864	 0.103139
+19
+0 3781	4.24661	0.9206479	0.879355	1.5753	76.61	-0.23589	0.07879	0.31467999999999996	1365.9193	0.155833	-422.46368	-422.455172	-422.454228	-422.497557	31.802
+O	-1.4428994833	 3.867336962	-1.1278362863	-0.426599
+C	-0.9559066204	 2.6431824188	-1.5960516627	 0.142784
+C	-1.7866798179	 1.39000443	-1.6099112999	-0.338591
+C	-0.5869755756	 1.51384296	-0.6742254708	-0.09484
+C	 0.6503941016	 0.700044963	-0.8977194862	 0.015492
+C	 1.8780423917	 0.9205949567	 0.0355359971	 0.038594
+C	 2.4035963961	-0.4862860276	-0.3297873209	-0.225316
+C	 0.8904788907	-0.5693763647	-0.0258942143	 0.039172
+O	 1.1121028261	 0.3082728294	 1.1507188723	-0.318005
+H	-1.8485951353	 3.7267394917	-0.2666521192	 0.284025
+H	-0.3131441185	 2.8207456026	-2.4532579746	 0.1027
+H	-2.7735200782	 1.4307115292	-1.1597327233	 0.110337
+H	-1.7143120525	 0.7273228763	-2.4671017767	 0.11009
+H	-0.8248401575	 1.6597547277	 0.3760178409	 0.095916
+H	 0.8868777556	 0.5841673078	-1.9613822153	 0.066857
+H	 2.4290904996	 1.8367124853	 0.2504066379	 0.096793
+H	 2.7389832404	-0.6660519521	-1.3544203922	 0.0957
+H	 3.0470873077	-0.9436113401	 0.4217055821	 0.110404
+H	 0.2545005996	-1.4439472158	 0.1152349822	 0.094486
+19
+0 3782	5.3947346	0.8098004	0.7581716	3.0929	77.04	-0.23367	0.07268	0.30635	1525.1146	0.155704	-422.48523	-422.476654	-422.475709	-422.51898	31.615
+C	 2.4659917423	-1.6426949785	 4.3170975349	-0.419669
+C	 1.3154934536	-1.2486686976	 3.427684182	 0.070523
+O	 0.654866863	-2.3058308938	 2.7202689297	-0.265164
+C	 1.3769262732	-1.3260489763	 1.9610087096	 0.044862
+C	 0.5722190252	-0.4411091902	 1.0713257456	-0.074199
+C	 1.3571148071	 0.4106362262	 0.0838540274	-0.148938
+C	 0.379612378	 1.2364009727	-0.7440790324	-0.096762
+O	-0.3938647453	 0.0523119197	-1.08507064	-0.288461
+C	 0.5470174019	-0.7699902853	-0.394619783	 0.096532
+H	 2.0986667825	-2.1097109181	 5.2369005745	 0.131102
+H	 3.1213442942	-2.3564034715	 3.8104671116	 0.126132
+H	 3.0548185264	-0.7629195269	 4.5984759311	 0.121783
+H	 0.6270982336	-0.5151168651	 3.8529593685	 0.087611
+H	 2.3022271254	-1.7060737879	 1.5203730272	 0.084763
+H	-0.3384164341	-0.0423704217	 1.5139388135	 0.095999
+H	 2.426179525	 0.5614280723	 0.1523975425	 0.101138
+H	-0.2205635541	 1.9929980213	-0.2250314835	 0.107988
+H	 0.8280131607	 1.6707951833	-1.6446388525	 0.112459
+H	 0.8084789315	-1.7293667027	-0.8266180367	 0.1123
+19
+0 3783	4.9005457	0.8226867	0.7601899	1.7407	76.83	-0.22528	0.07811	0.30339	1494.7088	0.156195	-422.484527	-422.476039	-422.475094	-422.518193	31.973
+O	 1.4734733606	-0.1771187838	 4.4635621927	-0.425835
+C	 0.4872266364	 0.1931120225	 3.5441093224	 0.097068
+C	-0.6199241848	-0.7743215661	 3.2039265822	-0.340857
+C	 0.5118028881	-0.5145679873	 2.2241269918	-0.029313
+C	 0.2735845091	 0.2191718305	 0.9436183115	-0.053368
+C	 1.4797856292	 0.4299056661	 0.040730724	-0.143147
+C	 1.04484802	 1.1814923808	-1.211276112	-0.098616
+O	-0.0364134722	 0.237329461	-1.4529174278	-0.292769
+C	 0.3915012444	-0.5492216737	-0.3390394129	 0.091224
+H	 1.0853451565	-0.1419718279	 5.3444086926	 0.28648
+H	 0.2430457948	 1.2562066309	 3.5326538225	 0.084493
+H	-0.6192572599	-1.7280739217	 3.7202109763	 0.114071
+H	-1.6033299802	-0.3758743984	 2.9754936159	 0.112771
+H	 1.2552256089	-1.305954931	 2.1695565493	 0.094348
+H	-0.4868797952	 0.9986614044	 0.9818290899	 0.08299
+H	 2.4959395881	 0.2695369476	 0.3749864078	 0.103501
+H	 0.6814162936	 2.209386136	-1.090814031	 0.103716
+H	 1.7758201081	 1.140550703	-2.0269864469	 0.109398
+H	 0.3605774046	-1.6295130128	-0.4302964983	 0.103844
+19
+0 3784	4.7790287	0.8098598	0.746178	4.5468	77.14	-0.26802	0.01536	0.28337999999999997	1535.7963	0.156373	-422.574206	-422.565371	-422.564427	-422.608398	32.377
+C	-4.6528015086	-1.2547699426	-2.5782512181	-0.409821
+C	-4.198446708	-0.549027886	-1.32046286	 0.001656
+C	-4.0401379577	 0.9476695353	-1.2837220904	-0.293612
+C	-2.8159735346	 0.0619030729	-1.2413900208	-0.007408
+C	-2.023742613	-0.0594468367	 0.0181262062	 0.118953
+C	-0.8967206642	-1.1106739013	 0.086920481	-0.440276
+C	 0.0150575777	 0.1072961399	 0.2321445775	 0.444964
+O	 1.1742376601	 0.3309825783	 0.3708335118	-0.317295
+O	-1.0105186203	 1.0126764118	 0.1566212762	-0.25097
+H	-4.3091873804	-2.2947386248	-2.6007590762	 0.120079
+H	-5.7455770855	-1.2618358283	-2.6528655394	 0.123552
+H	-4.2632855337	-0.7556161902	-3.4716340711	 0.119027
+H	-4.5584268219	-1.0000903707	-0.3982438944	 0.086203
+H	-4.2220363972	 1.5037449612	-2.1970991069	 0.118638
+H	-4.3145585437	 1.4781891138	-0.3780372251	 0.119178
+H	-2.2174991096	 0.020297763	-2.1485212971	 0.089159
+H	-2.6735103918	-0.0403673138	 0.8982120334	 0.093265
+H	-0.8990919	-1.7791392276	 0.9491319534	 0.142751
+H	-0.7320770674	-1.6882223942	-0.8247283398	 0.141959
+19
+0 3785	5.3321611	0.7538876	0.6957158	2.8336	77.45	-0.24506	-0.02208	0.22298	1606.2626	0.154497	-422.544994	-422.535819	-422.534875	-422.5799	33.224
+C	-4.7979765191	-1.174847012	-2.6816353787	-0.418608
+C	-4.2111861616	-0.6472150359	-1.3984603702	 0.069992
+O	-4.0442663632	 0.773728369	-1.3023271987	-0.264397
+C	-2.8713834917	-0.0473747832	-1.3214781297	 0.053699
+C	-2.0357850143	-0.0609762352	-0.0740927864	-0.0087
+C	-0.8632023504	-1.0948205889	-0.0293735645	-0.368746
+C	 0.0639148225	 0.0546792346	 0.4032427826	 0.40242
+O	 1.166646078	 0.0990385207	 0.8626542157	-0.284855
+C	-1.0130138016	 1.109658748	 0.1052961928	-0.358251
+H	-4.643022829	-2.2563126661	-2.760478161	 0.123134
+H	-5.8759305921	-0.9862559925	-2.7176302335	 0.132389
+H	-4.3378186702	-0.6904618037	-3.5470856107	 0.127873
+H	-4.6031834307	-1.0999183563	-0.4851081426	 0.08817
+H	-2.300915267	 0.0228824757	-2.2525085268	 0.0841
+H	-2.6863575945	-0.1513241145	 0.7988861991	 0.088288
+H	-0.9459181876	-1.9397661113	 0.6582116015	 0.132586
+H	-0.5886691657	-1.4794884298	-1.0190190689	 0.130564
+H	-1.2049852639	 1.8447916017	 0.8900876494	 0.136235
+H	-0.8058499979	 1.6464863196	-0.8277954994	 0.134108
+19
+0 3786	4.9342783	0.755981	0.6897155	1.8373	76.95	-0.2393	-0.01946	0.21984	1587.7612	0.155044	-422.543788	-422.534724	-422.53378	-422.578443	33.544
+O	-4.7851097691	-1.3254084674	-2.4028153999	-0.420346
+C	-4.3164773239	-0.7120782395	-1.2378779737	 0.094765
+C	-4.2752719301	 0.7834821502	-1.2556892571	-0.306498
+C	-2.9793887961	-0.0088733333	-1.2447513456	-0.049775
+C	-2.085630886	-0.0158591166	-0.0359061444	 0.010611
+C	-0.9805902474	-1.1223634946	 0.0446964647	-0.366449
+C	 0.0270235309	-0.0175106434	 0.4011091746	 0.403377
+O	 1.1369353112	-0.0209167477	 0.8472276602	-0.288619
+C	-0.9804311017	 1.0902547583	 0.0576429862	-0.360449
+H	-4.3269425604	-2.166677196	-2.5017599045	 0.285555
+H	-4.6206386918	-1.1939333466	-0.3073708754	 0.083659
+H	-4.5598404025	 1.2613416734	-2.1858995504	 0.126055
+H	-4.5646320053	 1.3185519474	-0.3573539255	 0.112895
+H	-2.4601393179	-0.0441489728	-2.2006789076	 0.084892
+H	-2.6931560567	-0.0192160663	 0.8744720049	 0.077438
+H	-1.0987057494	-1.9257761609	 0.7760985629	 0.127747
+H	-0.7532792177	-1.5706747503	-0.9298120939	 0.125861
+H	-1.0990315024	 1.8856975946	 0.7975011155	 0.128683
+H	-0.7567921237	 1.5496352115	-0.9121109811	 0.130598
+19
+0 3787	3.4020297	0.788246	0.6858292	3.1499	79.6	-0.25466	-0.03626	0.21839999999999998	1648.5801	0.154368	-422.529921	-422.520484	-422.51954	-422.56503	33.667
+C	-0.7614804885	-0.1929655927	-0.2884162521	-0.409055
+C	 0.4264440404	 0.5808921496	 0.2373903237	 0.004591
+C	 1.0593385423	 1.6792744434	-0.5735087657	-0.29532
+C	 1.7987747345	 0.3738927935	-0.3637773501	-0.031515
+C	 2.9943779115	 0.3402484135	 0.5211683084	 0.063341
+O	 4.2795376973	 0.2958846813	-0.0857228382	-0.246766
+C	 3.8469058513	-0.8697631215	 0.6298835468	-0.065094
+C	 4.567334387	-1.133439406	 1.9082593604	 0.148431
+O	 4.6597121643	-2.2197157546	 2.419836161	-0.249382
+H	-0.8249846337	-1.186372403	 0.1685282909	 0.123898
+H	-1.6988547962	 0.3334295436	-0.0786494509	 0.122811
+H	-0.6931609212	-0.3284579761	-1.3729356348	 0.117879
+H	 0.4144198715	 0.746554775	 1.3125481693	 0.088657
+H	 0.6685165471	 1.8752144006	-1.5663924391	 0.118667
+H	 1.4273259363	 2.5602903331	-0.0578893603	 0.116672
+H	 1.8625911894	-0.2918719507	-1.2196038498	 0.093305
+H	 2.9435292083	 0.9954706071	 1.3945286124	 0.097291
+H	 3.6040471359	-1.7431196782	 0.0271707559	 0.115338
+H	 5.0138238324	-0.2180038081	 2.3588643423	 0.086253
+19
+0 3788	4.6546665	0.7183544	0.6584986	4.5234	80.	-0.24923	-0.01901	0.23022	1699.3524	0.154478	-422.535504	-422.526069	-422.525125	-422.570556	33.619
+C	 3.4188038126	 1.3165611141	-3.3540708617	-0.418905
+C	 2.9477713154	 1.1080838657	-1.9385810235	 0.068875
+O	 2.6406075743	-0.2372765456	-1.5500879673	-0.259118
+C	 1.5708793847	 0.7109357053	-1.6084218235	 0.058726
+C	 0.9215851032	 1.0709958841	-0.3157387644	-0.042202
+C	-0.3537234817	 1.8469411372	-0.2965789414	-0.306475
+C	-0.3816052799	 0.3714535052	 0.0714252598	-0.104645
+C	-0.5749499672	 0.0062840558	 1.491681831	 0.169236
+O	-1.1633851503	-0.9699526392	 1.8825943441	-0.264594
+H	 2.8031838336	 0.7473461183	-4.0557324204	 0.128552
+H	 3.3707458008	 2.3770149224	-3.6238045618	 0.123929
+H	 4.4571096726	 0.9875002604	-3.4656015112	 0.133581
+H	 3.4973542545	 1.6643767187	-1.1761732007	 0.0893
+H	 0.8788537366	 0.5518907903	-2.4389979667	 0.089093
+H	 1.6175441382	 1.249438263	 0.4994852156	 0.102195
+H	-0.5021608615	 2.5695080372	 0.498920413	 0.128278
+H	-0.8139130616	 2.1170035724	-1.2406704298	 0.130164
+H	-0.8109194306	-0.323061266	-0.6424632222	 0.112095
+H	-0.1177289338	 0.7319957607	 2.2082817312	 0.061914
+19
+0 3789	4.5110796	0.7124219	0.6504894	3.412	79.68	-0.2439	-0.01455	0.22935	1681.2884	0.154934	-422.534715	-422.525358	-422.524414	-422.56968	33.997
+O	 2.68327769	 0.661591121	-3.9308573465	-0.423208
+C	 2.6300831943	 0.5149826106	-2.5426803791	 0.094227
+C	 2.4175879129	-0.8508421936	-1.9391097527	-0.333371
+C	 1.2903651394	 0.1667827197	-1.9668113232	-0.017854
+C	 0.8009864153	 0.8128621479	-0.7126818618	-0.020773
+C	-0.3754660357	 1.7282595908	-0.7133188517	-0.306005
+C	-0.5190446506	 0.341248475	-0.0969738382	-0.104382
+C	-0.5954194675	 0.2289622672	 1.3731917549	 0.164755
+O	-1.2078965909	-0.6161067353	 1.9777019981	-0.270176
+H	 3.5353476528	 0.3286854234	-4.2324902355	 0.288505
+H	 3.2445673571	 1.2193133025	-1.9800016602	 0.085536
+H	 2.3423206165	-1.6889054015	-2.6230203496	 0.118632
+H	 2.8889194369	-1.0754194629	-0.9876318266	 0.114501
+H	 0.525289663	-0.0179212521	-2.7158649146	 0.099238
+H	 1.5804277461	 1.0451210831	 0.0102142519	 0.09037
+H	-0.3733553969	 2.5781884551	-0.0384569283	 0.123529
+H	-0.9010792977	 1.8960175061	-1.6466547197	 0.13153
+H	-1.0867654758	-0.4031506181	-0.6443902884	 0.106909
+H	-0.0137841992	 1.0166963411	 1.9133715012	 0.058038
+19
+0 3790	4.5514506	0.8847787	0.8092045	2.0561	75.92	-0.25374	0.08883	0.34257000000000004	1441.1963	0.155596	-422.494519	-422.485944	-422.484999	-422.528366	31.656
+C	-0.9341056788	-4.2610427988	 1.535517411	-0.418569
+C	-1.0195242417	-3.1732365548	 0.4968509735	 0.068029
+O	-0.2736804171	-3.3762533952	-0.7104853456	-0.264863
+C	 0.1167297024	-2.3042486304	 0.1565650229	 0.05075
+C	-0.0541755987	-0.9102215833	-0.3778564185	-0.046071
+C	 1.1652701111	-0.3970562946	-1.2360846587	-0.274101
+C	 1.4074171208	 0.6795279497	-0.1703292523	 0.035623
+O	 0.2042080597	 1.4498230657	-0.0673392445	-0.244828
+C	 0.269941798	 0.2080848649	 0.6370263811	 0.013196
+H	-1.3146791523	-3.9052549701	 2.4991114808	 0.121786
+H	-1.5344667549	-5.1264945533	 1.2362966334	 0.13156
+H	 0.0994706485	-4.5923689334	 1.6673847524	 0.126816
+H	-2.019175563	-2.7687094113	 0.3249154428	 0.090189
+H	 1.0581801593	-2.4877131443	 0.6815326594	 0.084749
+H	-1.0335579967	-0.8053697843	-0.8514951195	 0.088366
+H	 1.9643096417	-1.1405075711	-1.294722349	 0.114147
+H	 0.94036193	-0.0208154872	-2.236095045	 0.115342
+H	 2.3309027724	 1.1671263215	 0.1195588578	 0.104607
+H	 0.0905082991	 0.2319089702	 1.7063541279	 0.103271
+19
+0 3791	4.2838274	0.9929169	0.9580576	3.1507	75.3	-0.23808	0.07522	0.3133	1309.7424	0.155746	-422.488056	-422.479615	-422.478671	-422.521438	31.536
+C	-1.6962277793	-3.9973697722	-1.3822330795	-0.421229
+C	-0.606073342	-2.9702924583	-1.5422200746	 0.09341
+O	 0.7452836254	-3.4588545114	-1.5285295381	-0.26699
+C	 0.3170776415	-2.6229153021	-0.4552191659	 0.032338
+C	 0.9921632576	-1.2800076633	-0.3348619336	 0.074027
+O	 0.8463836736	-0.4612394465	-1.5302754256	-0.288722
+C	 0.0563806817	 0.4825772441	-0.7999850735	 0.107322
+C	 0.8520071557	 1.1114442496	 0.2984836764	-0.30104
+C	 0.2286038016	-0.2544067369	 0.50581613	-0.133357
+H	-1.4482281055	-4.7124273307	-0.5929459012	 0.124754
+H	-2.6467478484	-3.5136749131	-1.1318349396	 0.120045
+H	-1.8391547175	-4.553402035	-2.3146379961	 0.130752
+H	-0.7711431891	-2.204982166	-2.2985183635	 0.106426
+H	 0.2093399881	-3.1388557602	 0.5034951039	 0.086
+H	 2.0521423356	-1.4235471888	-0.0850681492	 0.093725
+H	-0.8004199745	 0.9218045435	-1.2972624175	 0.104557
+H	 1.927663039	 1.2184589176	 0.1879633509	 0.119968
+H	 0.3580906543	 1.9183388715	 0.8313552362	 0.117239
+H	-0.4765707577	-0.4808871819	 1.2941602606	 0.100773
+19
+0 3792	4.6110239	0.8694478	0.7896732	2.1316	75.57	-0.23711	0.07319	0.3103	1434.7959	0.155453	-422.492155	-422.483264	-422.48232	-422.52684	32.435
+O	-0.3839846451	-4.7645127536	-0.5190463508	-0.428209
+C	 0.2271105418	-3.7828957909	 0.2670379829	 0.141524
+C	-0.4641430426	-3.1302676255	 1.4303481948	-0.353286
+C	-0.141062503	-2.3257014265	 0.1741825326	-0.058342
+C	 0.9087631762	-1.24744152	 0.2006242936	-0.023726
+C	 1.3360076051	-0.7023690995	-1.2162041585	-0.27832
+C	 0.7895057043	 0.6707561876	-0.8036493571	 0.036807
+O	 1.4921354776	 1.0702557682	 0.379371795	-0.249857
+C	 0.388899937	 0.1707945255	 0.5215214217	 0.0195
+H	-1.3384260776	-4.6662427247	-0.4480572783	 0.282662
+H	 1.2805919934	-4.0201251411	 0.3798790053	 0.10927
+H	-1.5053425641	-3.3835569711	 1.6097491391	 0.106683
+H	 0.1040820232	-2.936927126	 2.3349555271	 0.119285
+H	-0.9984426827	-2.1115505144	-0.4626350634	 0.077471
+H	 1.742847764	-1.5431227592	 0.8453198154	 0.077318
+H	 2.400492593	-0.7259973564	-1.4603411771	 0.109968
+H	 0.7647674694	-1.1732464808	-2.0204370367	 0.10988
+H	 0.3763918725	 1.4603362024	-1.4208242072	 0.101352
+H	-0.4156740524	 0.465456106	 1.1865252915	 0.10002
+19
+0 3793	4.7389662	0.9063816	0.8240281	1.5022	76.21	-0.23414	0.08216	0.31629999999999997	1404.2958	0.156214	-422.491229	-422.482822	-422.481877	-422.524687	31.967
+O	-1.7463083539	-4.2304135311	-1.3988407039	-0.424465
+C	-0.526688089	-3.5513761099	-1.420066925	 0.101632
+C	 0.3915496017	-3.7981020118	-0.2664160389	-0.311224
+C	-0.2786320458	-2.44291441	-0.4263671862	-0.049208
+C	 0.5258776328	-1.2437241238	-0.8185101983	 0.109249
+O	-0.3244159846	-0.1980130504	-1.3986684143	-0.30785
+C	-0.0175596193	 0.6717243586	-0.3068751032	 0.10902
+C	 1.4409892507	 0.9988605989	-0.2716222665	-0.307657
+C	 0.9455120114	-0.3072994059	 0.3174867659	-0.13272
+H	-2.4085006984	-3.6538882139	-1.7950777575	 0.289062
+H	-0.0732801846	-3.4434543522	-2.4060916712	 0.088625
+H	 0.018581486	-4.4404836648	 0.5225256194	 0.125535
+H	 1.4554744683	-3.8813198966	-0.4620312214	 0.114009
+H	-1.100072046	-2.2399716205	 0.2549050281	 0.091265
+H	 1.3243370046	-1.5286352549	-1.5179290549	 0.074228
+H	-0.815229407	 1.2862024979	 0.0944647301	 0.101294
+H	 2.009635155	 1.0080787111	-1.1977800316	 0.114437
+H	 1.7403511923	 1.7413379176	 0.4621541782	 0.114241
+H	 1.0997627456	-0.5999250884	 1.3472393013	 0.100528
+19
+0 3794	3.5074508	0.953161	0.8019665	4.2112	76.21	-0.26129	0.01111	0.27240000000000003	1438.9039	0.156601	-422.568815	-422.559903	-422.558959	-422.603261	32.201
+C	-2.3393376699	 3.7409086796	-2.5563431022	-0.409096
+C	-1.6687497327	 3.2772034478	-1.2827605205	-0.004577
+C	-0.1664770139	 3.2734166862	-1.1593837292	-0.287662
+C	-0.9177754045	 1.9649253411	-1.2432700379	-0.000813
+C	-0.9996756569	 1.0654325869	-0.0405364411	-0.21136
+C	-1.9594818505	-0.1443023273	-0.0661338276	-0.09832
+O	-0.8309335988	-1.0604786891	 0.1016287558	-0.240595
+C	 0.0759936134	-0.0276274239	 0.0977369501	 0.447699
+O	 1.259120338	-0.1003193407	 0.1717245729	-0.321073
+H	-3.3382380738	 3.3043050635	-2.6665358893	 0.117764
+H	-2.4476132373	 4.8309111809	-2.5718679482	 0.122601
+H	-1.7523633693	 3.4552183484	-3.435718328	 0.117965
+H	-2.2094254738	 3.5280891755	-0.3726824577	 0.082998
+H	 0.4187527166	 3.5720685451	-2.0224592462	 0.117946
+H	 0.2789963116	 3.5435607846	-0.2080926311	 0.119113
+H	-0.8409271426	 1.4355955228	-2.1905289426	 0.089474
+H	-1.0766520143	 1.6555030659	 0.8780049093	 0.109195
+H	-2.6612139123	-0.2371334129	 0.7649933126	 0.124111
+H	-2.464287779	-0.3249961444	-1.0179714289	 0.124632
+19
+0 3795	3.005098	1.0642493	0.8417011	1.0522	77.59	-0.25048	-0.03061	0.21986999999999998	1389.751	0.155117	-422.535647	-422.526514	-422.52557	-422.570408	32.88
+C	 0.3012045614	 3.7001319461	 2.5425059466	-0.411607
+C	-0.2547271487	 3.1988886161	 1.2288632203	 0.012341
+C	-1.7293899859	 3.2600971719	 0.9343005567	-0.298661
+C	-1.0651121704	 1.9228476576	 1.1832348544	-0.007438
+C	-0.8701803126	 0.9600114966	 0.0539293631	-0.001725
+O	-1.9835030304	 0.0451030358	-0.160360874	-0.292704
+C	-1.1821539234	-1.1416751902	-0.0098000308	-0.191477
+C	 0.0392305261	-0.264291757	 0.2882220888	 0.325852
+O	 1.1774732498	-0.4404748454	 0.5949147825	-0.269503
+H	 1.2472330607	 3.2058275818	 2.7876393322	 0.128032
+H	 0.4843791572	 4.7795614431	 2.5067684773	 0.120046
+H	-0.3979567418	 3.5099283209	 3.3636513372	 0.115526
+H	 0.3985212258	 3.3626457383	 0.3751304311	 0.089501
+H	-2.3901351084	 3.6377174252	 1.707461366	 0.115627
+H	-2.0512132792	 3.486569271	-0.0767051693	 0.116366
+H	-1.2740892214	 1.4512777708	 2.1398036354	 0.086963
+H	-0.6196012513	 1.4966972315	-0.8736742836	 0.099499
+H	-1.5178543945	-1.7876991763	 0.8113638925	 0.133235
+H	-1.1084647731	-1.7357234479	-0.9304256466	 0.130126
+19
+0 3796	3.5140034	0.9478473	0.8011847	4.176	77.43	-0.24026	-0.02195	0.21831	1453.818	0.154816	-422.542206	-422.532979	-422.532034	-422.577208	33.049
+C	-2.1209010246	-3.9156374526	 2.6272221711	-0.419656
+C	-1.6499608561	-3.2537858879	 1.3585721143	 0.074523
+O	-0.2349859077	-3.1822374964	 1.1551657372	-0.252978
+C	-0.9496393526	-1.9590289562	 1.3495563681	 0.046951
+C	-1.0192965957	-1.0149567992	 0.1815585929	-0.118467
+C	-2.0994692547	 0.1174972576	 0.1675333653	-0.258063
+C	-1.0294141097	 1.1530771423	-0.2908512451	-0.336141
+C	 0.0401638413	 0.1087983187	 0.070028117	 0.384367
+O	 1.2092893985	 0.1654079871	 0.3109409028	-0.286596
+H	-2.0242297763	-5.0037295853	 2.551921014	 0.132147
+H	-1.5289014281	-3.579270159	 3.4826020953	 0.129895
+H	-3.1747905785	-3.6837141533	 2.8153580928	 0.121496
+H	-2.2058832494	-3.521655646	 0.4573567356	 0.085484
+H	-0.7584271359	-1.4859676749	 2.3150707247	 0.092711
+H	-1.0355488371	-1.5930865683	-0.7495461947	 0.110285
+H	-2.9465567678	-0.0394329091	-0.5005553287	 0.112969
+H	-2.4761803869	 0.3332955948	 1.1707208485	 0.115885
+H	-1.051809757	 1.3470714087	-1.3682588042	 0.134464
+H	-0.9681740518	 2.109167499	 0.2340367233	 0.130723
+19
+0 3797	3.3668736	0.9556215	0.7956167	2.5151	77.11	-0.23315	-0.01717	0.21598	1431.5229	0.155312	-422.543538	-422.53439	-422.533446	-422.578444	33.414
+O	-2.2783456921	-3.6854530103	 2.4637957652	-0.425934
+C	-1.6512843601	-3.2966240574	 1.2768121716	 0.088137
+C	-0.1470970326	-3.2586286555	 1.2017477225	-0.323628
+C	-0.9466413633	-1.9722019618	 1.3034938476	-0.008565
+C	-1.0288223616	-1.0163202635	 0.14751988	-0.111139
+C	-2.1013648008	 0.1248208555	 0.1395621303	-0.255051
+C	-1.021061065	 1.1594409302	-0.295655285	-0.338199
+C	 0.0412963538	 0.0954550227	 0.0299540422	 0.387421
+O	 1.2195758109	 0.1304001459	 0.2328693344	-0.294586
+H	-2.1648717752	-4.636831014	 2.5613775011	 0.287481
+H	-2.1932934823	-3.5537740105	 0.3655448276	 0.081763
+H	 0.4008247087	-3.5652923454	 2.0855957552	 0.118456
+H	 0.3348136974	-3.4970054505	 0.2594173988	 0.114425
+H	-0.9287396181	-1.5044887294	 2.2841824886	 0.097916
+H	-1.0550064416	-1.5697312471	-0.8008866336	 0.094188
+H	-2.9432463701	-0.0131604968	-0.5394971247	 0.108854
+H	-2.4864128452	 0.3244932602	 1.1423146702	 0.11825
+H	-1.0429925982	 1.3912757501	-1.3656884055	 0.13063
+H	-0.9459344447	 2.0974210877	 0.2596512635	 0.12958
+19
+0 3798	4.3505453	0.9394921	0.8289099	1.0989	78.52	-0.23555	0.0122	0.24775	1418.5747	0.156124	-422.537552	-422.528799	-422.527855	-422.57173	31.751
+C	-1.0935055618	 5.2082167435	 1.9049986838	-0.421525
+C	-0.6532751188	 4.4406576705	 0.6868552947	 0.085853
+O	-1.6897053826	 3.955601341	-0.1805676122	-0.266029
+C	-0.8914321708	 3.0019091945	 0.5278057297	 0.043595
+C	-0.0033370082	 2.1275460272	-0.3378113322	 0.053271
+O	 0.9703735502	 1.4788420214	 0.483713778	-0.277455
+C	 0.89949716	 0.0630131612	 0.3186912024	-0.115121
+C	-0.2388511568	-0.1626838015	-0.6359213234	-0.098651
+C	-0.7448429529	 1.0043980353	-1.0149408148	-0.093231
+H	-1.9347113109	 4.7106208312	 2.3950303716	 0.127232
+H	-0.2696846788	 5.2918433983	 2.6218073347	 0.126242
+H	-1.4069421984	 6.2211442904	 1.63145922	 0.128649
+H	 0.1989849104	 4.8612381902	 0.1493152398	 0.090064
+H	-1.4121821965	 2.4687061592	 1.3251533332	 0.088376
+H	 0.4994406186	 2.7781273048	-1.0723701548	 0.085231
+H	 1.8562005353	-0.3174862989	-0.0734960933	 0.10674
+H	 0.7372333171	-0.416924335	 1.2959547128	 0.107805
+H	-0.5613640905	-1.1470768571	-0.9506018528	 0.108812
+H	-1.5660692245	 1.1796383339	-1.6970412874	 0.120142
+19
+0 3799	4.0479621	0.9520484	0.8280332	1.8482	78.34	-0.23352	0.01582	0.24934	1393.8458	0.156573	-422.537769	-422.529101	-422.528157	-422.57183	32.089
+O	-0.6247554868	 4.46418562	 2.5626749669	-0.42646
+C	-0.4022921309	 4.1692788277	 1.2157171243	 0.107424
+C	-1.612172884	 4.1131652819	 0.338315289	-0.309548
+C	-0.8493517997	 2.8404357589	 0.662103812	-0.046979
+C	-0.0287503755	 2.1445393512	-0.3989859748	 0.067925
+O	 1.0603471557	 1.4320134882	 0.2072870645	-0.281014
+C	 1.0612336966	 0.0697032071	-0.208944712	-0.116441
+C	-0.1647218719	-0.0804715053	-1.065177471	-0.100095
+C	-0.7735457866	 1.0927919019	-1.1817225778	-0.088572
+H	 0.020119914	 3.9688139249	 3.0789925347	 0.288043
+H	 0.5047172604	 4.6004797409	 0.790446418	 0.087432
+H	-2.5712597159	 4.2504554076	 0.823609298	 0.12349
+H	-1.5421281951	 4.5255773034	-0.6630800132	 0.1106
+H	-1.3235833369	 2.1749537632	 1.3779739041	 0.088324
+H	 0.383589405	 2.9151467866	-1.0753381547	 0.073223
+H	 1.9858935267	-0.1568180914	-0.7650005539	 0.103152
+H	 1.047618461	-0.5893144217	 0.6730110243	 0.104863
+H	-0.4662283796	-1.020453843	-1.509913109	 0.106214
+H	-1.6756816464	 1.3117862681	-1.7380639892	 0.108418
+19
+0 3800	2.4648457	0.9684432	0.9252312	1.1564	76.97	-0.24574	-0.09436	0.15138	1403.1346	0.154048	-422.562655	-422.552721	-422.551777	-422.598936	34.566
+C	-2.4659660734	 0.87066849	-1.2986945223	-0.4088
+C	-1.1558363856	 1.1854627261	-1.984974332	 0.026953
+C	-0.8940794921	 0.7216659003	-3.3972060544	-0.300874
+C	-0.1392044453	 0.1007600149	-2.2449248091	-0.018308
+C	 1.3494452197	 0.3822345359	-2.0712882042	-0.331374
+C	 1.7205592756	 0.3932288294	-0.6052580083	 0.307994
+O	 1.9368525237	 1.3876411125	 0.0486336783	-0.278898
+C	 1.8011284168	-0.9618105998	 0.1144673581	 0.079494
+O	 1.6152433592	-2.0193413671	-0.428578859	-0.215406
+H	-2.3603752904	 0.8857510801	-0.2082470543	 0.119658
+H	-3.2404080101	 1.5969178085	-1.5689620499	 0.120091
+H	-2.8299224054	-0.1223011266	-1.5837620863	 0.115542
+H	-0.7354054102	 2.1559247527	-1.7311537361	 0.094654
+H	-1.6523535766	 0.1178679903	-3.8854217182	 0.1139
+H	-0.3517171733	 1.3804829245	-4.0673787203	 0.112088
+H	-0.4312562587	-0.9085389094	-1.9708569205	 0.106085
+H	 1.9317339036	-0.3888805424	-2.5878971596	 0.129133
+H	 1.6058401671	 1.361266793	-2.4848012586	 0.120166
+H	 2.0575727654	-0.8610046428	 1.1906166966	 0.107902
+19
+0 3801	4.4609204	0.614845	0.559034	1.023	79.44	-0.26114	0.02652	0.28765999999999997	1951.2535	0.152974	-422.483356	-422.473034	-422.47209	-422.520065	35.676
+C	-1.9282731648	-0.2923516306	 3.7862381005	-0.41671
+C	-1.6233787561	-0.0662538294	 2.3293088192	 0.092193
+O	-2.2663792264	-0.9431038942	 1.3908220825	-0.263773
+C	-0.8459970434	-1.0172619253	 1.526845824	 0.039671
+C	-0.0616636789	-0.5881481738	 0.3128857782	-0.077221
+O	 1.2831648926	-0.4057791571	 0.7075373372	-0.249812
+C	 2.1250712554	-0.0812397019	-0.3819719071	-0.201715
+C	 3.4975436137	 0.0803513913	 0.0783206697	 0.280003
+C	 4.637258392	 0.2196505021	 0.4293287426	-0.41131
+H	-1.9029314256	-1.3584569797	 4.026952501	 0.128525
+H	-1.196483157	 0.2266665119	 4.4142729793	 0.127537
+H	-2.9221974808	 0.0922002219	 4.0373821895	 0.129326
+H	-1.6104058605	 0.9769611832	 2.007822418	 0.089143
+H	-0.4768956727	-1.9213919168	 2.0127485654	 0.097538
+H	-0.1353460056	-1.360369523	-0.4720340923	 0.09665
+H	-0.4909874777	 0.3394336024	-0.0991327492	 0.097132
+H	 2.0812998128	-0.8716645352	-1.1510597846	 0.120858
+H	 1.7850099108	 0.8491972409	-0.8684419057	 0.12026
+H	 5.6435687221	 0.3410272032	 0.7462827921	 0.201704
+19
+0 3802	3.9845959	0.6487241	0.5773044	1.5287	79.5	-0.25372	0.03061	0.28432999999999997	1877.0416	0.153591	-422.484665	-422.474502	-422.473558	-422.52101	35.93
+O	-1.0257664017	-4.3122328472	-1.0903516935	-0.423156
+C	-1.2134849054	-2.972674565	-0.746075401	 0.123975
+C	-1.7368006181	-2.0751524812	-1.8227082657	-0.308715
+C	-0.3085903237	-1.9202092013	-1.3339306079	-0.059537
+C	 0.092806536	-0.7276031443	-0.5154778068	-0.066225
+O	 1.1815510259	-1.0964040054	 0.3154498102	-0.249457
+C	 1.6601312268	-0.0130571068	 1.0866294947	-0.203183
+C	 2.7776585982	-0.4447261059	 1.9159864238	 0.281001
+C	 3.7002607326	-0.7737035142	 2.61052482	-0.414756
+H	-0.2485273928	-4.6286642434	-0.6173127948	 0.289825
+H	-1.5747846856	-2.8000949363	 0.2683924007	 0.085652
+H	-1.8750848508	-2.5202256982	-2.8009563685	 0.125904
+H	-2.4671952598	-1.3184239893	-1.5565404696	 0.112129
+H	 0.4600965234	-2.2952781459	-2.0030331152	 0.09809
+H	 0.381554813	 0.1163575339	-1.165446086	 0.090465
+H	-0.7567629805	-0.3812610889	 0.098940676	 0.082745
+H	 1.9826497855	 0.8159836597	 0.4328077747	 0.118097
+H	 0.8575974825	 0.3901717599	 1.7289138462	 0.116701
+H	 4.5162659145	-1.0703489402	 3.2220200228	 0.200444
+19
+0 3803	4.5388654	0.6183826	0.5646579	1.481	79.1	-0.24687	0.054	0.30087	1915.9113	0.153425	-422.489149	-422.478947	-422.478002	-422.525522	36.217
+O	 4.9499208607	 2.7199029649	 4.3430607332	-0.41977
+C	 5.1770471714	 1.7085348497	 3.4078638001	 0.065241
+C	 6.3483149195	 1.8086882822	 2.4491360272	-0.350706
+C	 4.948408037	 2.0583134675	 1.9672167573	 0.108266
+O	 4.4043274193	 1.1111284473	 1.106043929	-0.246335
+C	 2.9878530079	 1.0793601128	 1.134287125	-0.057035
+C	 2.538493329	-0.0023005836	 0.1466704907	-0.35061
+C	 1.0885709077	-0.1237596545	 0.0842857573	 0.287528
+C	-0.110181492	-0.2021864402	 0.0525280038	-0.447967
+H	 5.6376013372	 2.6647894807	 5.0150743105	 0.289233
+H	 4.8846613513	 0.7030229795	 3.7111456192	 0.092683
+H	 7.0033281839	 2.6683470787	 2.537137845	 0.117443
+H	 6.8225746278	 0.8848029242	 2.1377031602	 0.124647
+H	 4.6621486651	 3.0916455804	 1.7668944577	 0.097609
+H	 2.6222701781	 0.8515210824	 2.1455485378	 0.109304
+H	 2.5712324887	 2.0551035757	 0.842797891	 0.105066
+H	 2.9441675568	 0.2372376246	-0.8433925612	 0.14074
+H	 2.9884207388	-0.9569698593	 0.4442649999	 0.138311
+H	-1.168247748	-0.2815527131	 0.0150111765	 0.196351
+19
+0 3804	3.049532	1.1503818	1.0101003	1.9632	77.66	-0.25054	-0.02927	0.22127	1230.1239	0.155165	-422.542264	-422.53316	-422.532215	-422.575805	33.848
+C	-0.6860068992	-1.0332453462	-1.3872393324	-0.509918
+C	 0.4133699586	-0.5211877548	-2.2720085165	 0.339557
+C	 0.2665550522	-0.226352245	-3.7777112604	-0.331789
+C	 1.7297993514	-0.742478357	-4.0061602613	 0.149092
+O	 1.8515187696	-1.8834271117	-4.8208239055	-0.434559
+C	 1.8342813029	-0.9919999392	-2.4955058298	-0.14163
+C	 1.5903918635	 0.3276813526	-1.7696300511	-0.169212
+C	 1.8909851844	 0.3472383455	-0.3196912503	 0.121361
+O	 1.8432226117	-0.6131715079	 0.4163716078	-0.271891
+H	-0.3059992018	-1.3104974923	-0.402511802	 0.159836
+H	-1.4691385603	-0.2769353968	-1.2577766129	 0.120395
+H	-1.1539851181	-1.9169685622	-1.8357414032	 0.113612
+H	-0.447263232	-0.8954859687	-4.267854148	 0.105311
+H	 0.0322964008	 0.8049743791	-4.0607206527	 0.100282
+H	 2.4389819425	-0.0167942845	-4.4156223028	 0.092623
+H	 1.2729057414	-2.5691129121	-4.4683380489	 0.279796
+H	 2.3949321856	-1.7746569457	-1.9966748477	 0.110258
+H	 1.8075834858	 1.2614695721	-2.2852009957	 0.085655
+H	 2.182942121	 1.3459760749	 0.0740413835	 0.081221
+19
+0 3805	3.3651592	1.1618584	1.0400084	2.8112	78.43	-0.2361	-0.0334	0.2027	1216.8045	0.155649	-422.545257	-422.536604	-422.53566	-422.57816	33.06
+C	 2.2451084926	 1.6221680469	 0.275888437	-0.412523
+C	 1.764123425	 0.1779124828	 0.2101261115	 0.019159
+C	 2.4074148807	-0.669477303	-0.9464937891	-0.314016
+C	 3.0343948899	-1.5658901756	 0.1119452172	 0.453826
+O	 4.2507120161	-2.1557979647	-0.0624911548	-0.458229
+C	 1.9157413588	-2.1892311953	 0.9848552594	-0.217364
+C	 2.389776784	-3.2172606392	 1.9153922585	 0.131637
+O	 3.5378834124	-3.3018771362	 2.3221915395	-0.313749
+C	 2.4367400463	-0.7561969798	 1.2290837379	-0.135964
+H	 1.8911659886	 2.1147673373	 1.1878946716	 0.118193
+H	 3.3394880182	 1.6735873985	 0.2702893823	 0.124318
+H	 1.8765934605	 2.1947451448	-0.5817252805	 0.119653
+H	 0.668598534	 0.1448664853	 0.2342938156	 0.071937
+H	 1.7381399469	-1.1507708241	-1.6650409213	 0.102576
+H	 3.1666516946	-0.1001045412	-1.48844438	 0.120384
+H	 4.4671029547	-2.599300335	 0.7774396841	 0.304899
+H	 0.9036542871	-2.321361683	 0.6072351972	 0.087281
+H	 1.6330453311	-3.9624537761	 2.2360677126	 0.093675
+H	 2.8288138986	-0.4881876223	 2.2036861514	 0.104308
+19
+0 3806	1.9765235	1.6085109	1.0545786	3.5545	77.87	-0.23015	-0.01995	0.2102	1196.3453	0.154529	-422.530648	-422.521439	-422.520495	-422.564497	33.809
+C	-0.2046970569	 0.0615587043	 0.0230614176	-0.420541
+C	 1.2869218297	-0.1788629729	 0.1112841873	 0.147953
+O	 1.8502738757	-0.9986527846	-0.9624084637	-0.338079
+C	 2.6252061943	-1.7417686529	-0.0066944491	 0.433259
+C	 4.0434101331	-2.0550392126	-0.3547277054	-0.488612
+C	 1.7037696032	-2.5849630568	 0.8476076535	-0.170791
+C	 0.4749943106	-3.2280493594	 0.3173635464	 0.138107
+O	-0.042294861	-4.1934734456	 0.8303773217	-0.277808
+C	 1.9291944042	-1.0869142425	 1.1523544325	-0.226768
+H	-0.5147984837	 0.7398368485	 0.8250630286	 0.125508
+H	-0.4498681424	 0.535590529	-0.9328180524	 0.134072
+H	-0.7839349709	-0.8593529926	 0.1110854941	 0.130992
+H	 1.8136651059	 0.7856388788	 0.1072310984	 0.092016
+H	 4.5391140532	-2.5643030787	 0.4761690625	 0.130824
+H	 4.0845009128	-2.7128677128	-1.2295858899	 0.140644
+H	 4.5971982621	-1.1408655507	-0.589676722	 0.133025
+H	 2.2124953099	-3.2021194196	 1.583886652	 0.110465
+H	 0.0798892417	-2.7924422667	-0.6208688785	 0.09586
+H	 2.3019087487	-0.7876519024	 2.1228411864	 0.109877
+19
+0 3807	2.6016069	1.4433977	1.15918	3.7368	75.75	-0.23362	-0.01261	0.22100999999999998	1117.6422	0.155516	-422.556709	-422.547804	-422.54686	-422.590187	33.5
+C	-1.1645641065	 2.1875270305	 1.1297136532	-0.497347
+C	-1.142134813	 1.0538268932	 0.129986745	 0.224863
+C	-1.6070017211	 1.3570083123	-1.3412130676	-0.307574
+C	-2.6962276101	 0.2669260375	-1.2332636587	 0.14378
+O	-2.7042255054	-0.6161095452	-2.3325665188	-0.425029
+C	-2.0928258486	-0.2213012842	 0.108986676	-0.140201
+C	-0.8550570816	-1.1469681185	-0.0545340905	-0.366745
+C	 0.0463165946	 0.088493564	 0.1322696995	 0.374316
+O	 1.2176471549	 0.2355999468	 0.3354783822	-0.310274
+H	-1.0011454953	 1.8255908205	 2.1499872516	 0.123231
+H	-0.3699194907	 2.9068401052	 0.9037110493	 0.137581
+H	-2.120047804	 2.7224888529	 1.1064914118	 0.115161
+H	-1.9738331828	 2.3742554403	-1.4932924129	 0.112449
+H	-0.8611786773	 1.138176237	-2.1090026525	 0.124195
+H	-3.6903053875	 0.7078023752	-1.0763740653	 0.071061
+H	-3.410682859	-1.2578336393	-2.2041737562	 0.284415
+H	-2.7705836966	-0.4627207567	 0.9283960914	 0.067555
+H	-0.7179496576	-1.8979500091	 0.7282940245	 0.128029
+H	-0.7779893123	-1.6348821123	-1.0303517018	 0.140535
+19
+0 3808	2.8590883	1.3695931	1.1441688	4.2197	75.07	-0.26536	0.0132	0.27856	1143.1252	0.156233	-422.579282	-422.570531	-422.569587	-422.61257	32.559
+C	-4.1686837944	 0.6141972624	 1.2592917932	-0.411743
+C	-2.6898970748	 0.2452796616	 1.2790756267	 0.013921
+C	-1.7044430142	 1.4591757219	 1.3225986712	-0.308428
+C	-1.1541635857	 1.0807961546	-0.0948068964	 0.12755
+C	-1.0105119884	 2.1442822579	-1.157730132	-0.495809
+C	-2.1012362093	-0.1532910351	-0.0934442047	 0.062543
+O	-0.9474061615	-1.0440305717	 0.0439001306	-0.264878
+C	-0.0647622381	 0.0134942126	 0.0147487254	 0.428135
+O	 1.122737891	-0.0316517936	 0.062492276	-0.333998
+H	-4.4722023161	 1.057720239	 2.2129475694	 0.125615
+H	-4.3887163407	 1.3438793009	 0.4712104948	 0.116564
+H	-4.7935831569	-0.2674982552	 1.081878309	 0.123958
+H	-2.4960719374	-0.5180259017	 2.0369083885	 0.095261
+H	-2.2235182328	 2.421512144	 1.3105743093	 0.111147
+H	-0.967045858	 1.4734062183	 2.1275094806	 0.121378
+H	-0.8091076147	 1.706616742	-2.1405782475	 0.131769
+H	-1.9171150249	 2.7531442957	-1.231380041	 0.121242
+H	-0.1759311747	 2.8096237397	-0.9125330672	 0.143424
+H	-2.7481150685	-0.4679335233	-0.9128654858	 0.09235
+19
+0 3809	3.067105	1.3364595	1.0992151	2.3922	76.43	-0.24329	-0.02276	0.22053	1148.6242	0.155543	-422.556081	-422.547245	-422.546301	-422.589607	33.373
+C	-4.2178528793	 0.8175232505	 1.2066205232	-0.413005
+C	-2.7939294063	 0.2840749161	 1.3165775142	 0.03402
+C	-1.7057996024	 1.399288048	 1.3786705565	-0.300346
+C	-1.2134595239	 1.0671105401	-0.0569294806	 0.330162
+O	-1.2132916153	 2.1451967371	-0.9219100948	-0.471881
+C	-2.1999417353	-0.22394777	-0.0162867114	-0.104914
+C	-0.9547250086	-1.1431167362	 0.1440653958	-0.365218
+C	-0.0779552069	 0.0713976848	-0.1996659688	 0.315851
+O	 0.9778638701	 0.1905067029	-0.7632306521	-0.322667
+H	-4.5228896915	 1.3160230645	 2.1331141637	 0.117142
+H	-4.3023867497	 1.5455886154	 0.3919572089	 0.127302
+H	-4.9286962758	 0.0080866204	 1.0076022701	 0.115332
+H	-2.7336693962	-0.4508093904	 2.126334999	 0.06948
+H	-2.1183944421	 2.4105358281	 1.4055816178	 0.125817
+H	-0.9527603517	 1.3106804403	 2.1655353035	 0.108463
+H	-0.5313053319	 1.983285888	-1.5873821616	 0.293904
+H	-2.8714893573	-0.4753016226	-0.8371398624	 0.081676
+H	-0.811086632	-1.5552213506	 1.1470198394	 0.124868
+H	-0.8522324437	-1.9510758466	-0.5843316005	 0.134013
+19
+0 3810	2.8578503	1.3949883	1.1640378	3.5821	76.31	-0.2299	-0.02863	0.20127	1130.1973	0.154686	-422.551301	-422.542301	-422.541357	-422.584862	33.408
+C	-4.0541723701	 0.9723076555	 1.2221680609	-0.406482
+C	-2.6591627372	 0.3793635181	 1.2023145475	 0.150207
+O	-1.6367703726	 1.4179900978	 1.1746502916	-0.336434
+C	-1.1808481818	 1.0199568609	-0.1442508362	 0.334182
+C	-1.07523231	 2.154870814	-1.1226672168	-0.48586
+C	-2.164024692	-0.2064170446	-0.1321654154	-0.156411
+C	-0.9759729368	-1.192621573	 0.0172209673	-0.378712
+C	-0.0093637598	 0.0129689919	 0.0208288016	 0.374968
+O	 1.1778669708	 0.1305761798	 0.0888304931	-0.293355
+H	-4.1894936911	 1.5913051742	 2.1142044316	 0.132106
+H	-4.2289826822	 1.5973716294	 0.3409835482	 0.120704
+H	-4.805940894	 0.1752694873	 1.2380875708	 0.11769
+H	-2.5130647711	-0.2807262354	 2.0677409547	 0.07953
+H	-0.7930447415	 1.7886771854	-2.1150611415	 0.124368
+H	-2.0230683656	 2.6951995015	-1.1999348423	 0.126149
+H	-0.3028953054	 2.8553453401	-0.7885803468	 0.148366
+H	-2.8971081731	-0.4039054327	-0.9123333083	 0.083661
+H	-0.9635272211	-1.8303497342	 0.9059721268	 0.13057
+H	-0.8088589853	-1.8237237362	-0.8620501171	 0.134751
+19
+0 3811	3.1063202	1.5810883	1.2815194	2.5136	73.59	-0.23236	0.06818	0.30054000000000003	1028.4911	0.157809	-422.532204	-422.524495	-422.523551	-422.56397	30.905
+C	-3.1975718453	 0.2386356083	 3.6079759159	-0.491007
+C	-2.4786504509	 0.4262213981	 2.2952411996	 0.296897
+C	-0.9721668168	 0.2001335538	 2.2054176018	-0.323665
+C	-0.6853739756	-0.1116266382	 0.7007509772	 0.164712
+O	 0.4172412862	 0.5782518727	 0.1558138948	-0.446109
+C	-1.9981609375	 0.2871376416	 0.0215704726	 0.043276
+O	-2.1318247159	 1.7349033397	 0.2602120997	-0.32844
+C	-3.0502511239	 1.4405036823	 1.3196948399	 0.0635
+C	-3.1437170929	-0.0211579588	 0.9974088988	-0.203196
+H	-3.0744027778	-0.7834291621	 3.984311035	 0.121049
+H	-2.8119743788	 0.9237697964	 4.3712460858	 0.124259
+H	-4.2720316039	 0.4268560726	 3.5061247475	 0.117061
+H	-0.3954698782	 1.0777354342	 2.5151738965	 0.104221
+H	-0.6702711574	-0.6301884477	 2.8517292216	 0.100529
+H	-0.4840478788	-1.1783048304	 0.5532830212	 0.085764
+H	 0.1558491641	 1.5091274316	 0.1445221616	 0.285492
+H	-2.0879784159	 0.0488194214	-1.0388426352	 0.085572
+H	-3.7943229077	 2.1893553499	 1.5676157669	 0.102981
+H	-3.982016933	-0.6941948556	 0.8822843588	 0.097104
+19
+0 3812	3.0699834	1.5743196	1.2672377	0.7503	73.51	-0.21796	0.06794	0.2859	1036.1922	0.157264	-422.526887	-422.519061	-422.518117	-422.558633	31.39
+C	 2.7393410196	 1.4627956122	-0.3752470502	-0.411147
+C	 1.9246449998	 0.202167609	-0.093355062	 0.044386
+C	 2.4507863023	-0.6626622727	 1.0928754036	-0.311444
+C	 2.2789362931	-2.1058298351	 0.6181497284	 0.358099
+O	 2.0525717399	-3.1305975469	 1.5334237916	-0.473852
+C	 2.9420975506	-2.474656144	-0.7024469321	 0.026824
+O	 3.2983130299	-1.3006599898	-1.4308393064	-0.310695
+C	 1.9228395068	-0.8041034046	-1.2487120444	 0.073296
+C	 1.4764406798	-2.1580065632	-0.6644315806	-0.202162
+H	 2.7642073936	 2.1225538763	 0.4978146223	 0.112721
+H	 3.7681207795	 1.1949350879	-0.6337888412	 0.135052
+H	 2.315627695	 2.0315918701	-1.2101945006	 0.109374
+H	 0.878587599	 0.4748129314	 0.10146976	 0.073864
+H	 3.4979225823	-0.4275338947	 1.3146492688	 0.09904
+H	 1.8717877389	-0.5055776687	 2.0073671397	 0.105111
+H	 2.8890675253	-3.337712752	 1.9645043943	 0.286222
+H	 3.4887564187	-3.3936851708	-0.8833676059	 0.102642
+H	 1.5015456574	-0.4567965758	-2.194350469	 0.07884
+H	 0.5900762486	-2.7466774388	-0.8528343561	 0.10383
+19
+0 3813	2.954763	1.7150883	1.3359147	1.9194	74.5	-0.21308	0.07435	0.28742999999999996	1015.6363	0.156475	-422.520004	-422.512121	-422.511177	-422.55183	31.147
+C	 0.4040855777	 0.7669778648	 0.1670996534	-0.405545
+C	 0.8493407491	-0.6570533759	-0.1156462318	 0.138838
+O	 1.481932793	-1.2069904692	 1.0570221749	-0.318134
+C	 2.5864726268	-1.9821234315	 0.6417990289	 0.434774
+C	 2.9666639907	-3.0678318629	 1.603344655	-0.48234
+C	 3.6407009897	-1.2617099787	-0.1911130884	 0.024357
+O	 3.1013778673	-0.0523019618	-0.7226697594	-0.300656
+C	 1.9318329937	-0.8036630187	-1.1828585828	 0.042999
+C	 2.6123962903	-2.1500265911	-0.8543569598	-0.247954
+H	-0.2532459667	 0.7912304381	 1.0401518576	 0.125435
+H	 1.2762916886	 1.394434145	 0.3614453408	 0.142642
+H	-0.1473141742	 1.1719776991	-0.6879552112	 0.109129
+H	-0.0165593846	-1.2849192681	-0.3871869775	 0.066411
+H	 3.1794936346	-2.6458823836	 2.5903854196	 0.135518
+H	 2.1559060761	-3.7955969333	 1.7100738744	 0.127741
+H	 3.8608368195	-3.5948847216	 1.2571056127	 0.120856
+H	 4.7166132565	-1.3359626353	-0.0738488331	 0.102859
+H	 1.6523735603	-0.5525195142	-2.2069637565	 0.085637
+H	 2.6633795814	-3.0582545709	-1.439946467	 0.097433
+19
+0 3814	2.5032299	1.7791529	1.3197123	1.9985	73.47	-0.24465	0.07153	0.31618	1005.7625	0.158093	-422.542044	-422.534314	-422.53337	-422.573678	31.484
+O	 0.5531270592	 0.888950061	 0.4536805629	-0.442672
+C	-0.848536004	 1.1094259662	 0.3962560957	 0.152023
+C	-1.641988942	-0.2014486849	 0.1365255536	-0.337654
+C	-2.1574779587	-0.5960841408	 1.5211092698	 0.418566
+O	-2.2749774482	-1.9469472271	 1.8486343834	-0.483938
+C	-3.0937290165	 0.3619753046	 2.2454397675	-0.123807
+C	-2.9529879446	 1.7802212387	 1.6965038839	-0.256663
+C	-1.3988272642	 1.6011474736	 1.7446845133	-0.078929
+C	-1.6051428814	 0.3083915339	 2.5857914095	-0.147705
+H	 0.7173954683	 0.2502200349	 1.157373968	 0.281537
+H	-0.9900255781	 1.8476797187	-0.3987320055	 0.082648
+H	-2.4493016192	-0.060983626	-0.5908656551	 0.09461
+H	-0.9698705214	-0.9699233538	-0.2556181145	 0.110693
+H	-3.0712701148	-2.288604865	 1.4277282541	 0.283416
+H	-3.9208435431	-0.0372625284	 2.8217634875	 0.082588
+H	-3.4036341469	 2.0111003725	 0.7234318233	 0.089129
+H	-3.2871656575	 2.5253430285	 2.4226940028	 0.10659
+H	-0.8242353554	 2.423207909	 2.1690729489	 0.07643
+H	-1.1077789615	-0.0224152154	 3.4874457108	 0.09314
+19
+0 3815	2.9649744	1.5955293	1.2561252	2.9532	74.5	-0.22942	0.06893	0.29835	1036.7641	0.157094	-422.511462	-422.503654	-422.50271	-422.543325	31.156
+C	-3.6817375643	-0.6058470436	 2.5021222238	-0.504181
+C	-2.6631338699	 0.1752185034	 1.7097911718	 0.351132
+C	-1.1726821831	-0.0148854533	 1.9795580937	-0.333615
+C	-0.5509072546	 0.9501586995	 0.924417758	 0.091382
+O	 0.1788031398	 0.2893113293	-0.1006166635	-0.440645
+C	-1.8135237024	 1.5263328276	 0.3115613695	-0.0359
+C	-2.9110605458	 1.6921426838	 1.3972357285	-0.00139
+O	-3.9646538592	 1.3559885039	 0.4304945876	-0.322673
+C	-2.8738824421	 0.399907119	 0.1727641778	 0.021987
+H	-3.5838653788	-0.408137293	 3.5755691569	 0.113121
+H	-4.6913330706	-0.328609366	 2.187931329	 0.138394
+H	-3.5544906098	-1.6840646579	 2.353802358	 0.115414
+H	-0.906434328	 0.2492750303	 3.0091652444	 0.096072
+H	-0.8446499566	-1.0440128563	 1.7982067896	 0.099507
+H	 0.0677312401	 1.7277391719	 1.395339829	 0.06608
+H	 0.9754476476	-0.0820609556	 0.29119147	 0.28329
+H	-1.7383921033	 2.2714853867	-0.477916318	 0.084572
+H	-3.0944604204	 2.5227252812	 2.0815425613	 0.084764
+H	-3.0119292985	-0.327970541	-0.6268264876	 0.092689
+19
+0 3816	3.0190259	1.5852166	1.2529342	1.6976	73.95	-0.23765	0.0672	0.30485	1041.2895	0.157466	-422.515229	-422.507635	-422.506691	-422.54687	30.764
+C	 1.9934454282	 1.7416330049	 1.2065721736	-0.401526
+C	 1.9021510288	 0.4550945037	 0.3841823399	-0.002108
+C	 2.0432273145	-0.855626944	 1.2253878257	-0.311685
+C	 3.2335099784	-1.4897639391	 0.5337815333	 0.461086
+O	 3.6654475369	-2.7071139867	 1.0117618619	-0.492507
+C	 4.2685291561	-0.3825078577	 0.1254644631	-0.023667
+O	 4.6326738391	-1.1621726816	-1.0744843574	-0.344361
+C	 3.1587815528	-1.2209090466	-1.0116215424	-0.035793
+C	 3.0623788728	 0.2678424723	-0.6009187022	-0.039505
+H	 1.1717473627	 1.8074276724	 1.927085277	 0.118348
+H	 2.9329418665	 1.7866013762	 1.7692124487	 0.116219
+H	 1.9474920354	 2.6275684497	 0.5642019713	 0.115578
+H	 0.9516248166	 0.4532329619	-0.1618034214	 0.076539
+H	 2.2505275647	-0.655983698	 2.2816496779	 0.107943
+H	 1.158127308	-1.4964611698	 1.1771081666	 0.109285
+H	 4.4201042813	-2.9513242854	 0.4558935195	 0.286976
+H	 5.0789439002	 0.0707824434	 0.6975178601	 0.089711
+H	 2.6377117651	-1.7683130634	-1.7984327923	 0.089182
+H	 3.266255362	 1.0243849078	-1.3574195626	 0.080282
+19
+0 3817	2.9335375	1.6754596	1.2942567	1.3708	74.65	-0.23398	0.07397	0.30795	1029.5474	0.156262	-422.507533	-422.499678	-422.498734	-422.539378	31.131
+C	 0.3977813653	-0.1676563097	-0.5347017463	-0.397955
+C	 0.7632560869	 0.0898202358	 0.9191871897	 0.099746
+O	 2.0574418029	-0.4913756361	 1.2265521831	-0.327248
+C	 2.8133593422	 0.596434631	 1.7026890001	 0.452762
+C	 4.2116527494	 0.2249702681	 2.0941109601	-0.499229
+C	 2.4755496778	 1.893316672	 0.8890558639	-0.01229
+O	 2.6563607149	 2.7197046791	 2.0860123586	-0.320145
+C	 1.9139101025	 1.5502557228	 2.5640514601	-0.018207
+C	 1.0115671304	 1.5426726274	 1.2960307056	-0.090413
+H	 0.3905104552	-1.2420392956	-0.7385931954	 0.129948
+H	-0.5978263651	 0.2304646524	-0.757263153	 0.116566
+H	 1.1186458099	 0.3036709121	-1.2098074427	 0.119677
+H	 0.0160331748	-0.3725624621	 1.5785951382	 0.083011
+H	 4.2025549622	-0.5267017721	 2.8890400332	 0.127875
+H	 4.7533181702	-0.1919367225	 1.2398375043	 0.127495
+H	 4.7334164617	 1.1164655931	 2.449367913	 0.141298
+H	 2.8721072624	 2.2654563573	-0.0557418439	 0.091022
+H	 1.6373784118	 1.5105754119	 3.61806069	 0.090395
+H	 0.2244562748	 2.2861602753	 1.1860426913	 0.085694
+19
+0 3818	2.9866488	1.5888639	1.2604514	1.2795	74.36	-0.25073	0.07216	0.32289	1025.3679	0.157944	-422.532538	-422.524799	-422.523854	-422.564268	31.235
+O	 0.5341513967	 0.4202140909	 0.6294217405	-0.442536
+C	-0.7743575969	 0.9157885807	 0.3935169354	 0.12761
+C	-1.8828403188	-0.1683155131	 0.2828759482	-0.350749
+C	-2.8029626672	 0.2852315254	 1.4168943584	 0.459356
+O	-3.9973809038	-0.405244764	 1.619943484	-0.489923
+C	-1.9245821602	 0.7715427285	 2.6332974626	-0.145619
+C	-3.010834203	 1.823982419	 2.9607471274	-0.250882
+C	-2.8910772909	 1.8405748191	 1.41533779	-0.100893
+C	-1.3392095899	 1.7398708226	 1.5520541141	-0.046977
+H	 0.5433463899	 0.0200841604	 1.5058165338	 0.276365
+H	-0.688865279	 1.5047367203	-0.5243422637	 0.088138
+H	-2.3978199151	-0.1697936702	-0.6825968665	 0.106609
+H	-1.4652230895	-1.1691323471	 0.4442859598	 0.088926
+H	-3.7947438173	-1.3423472073	 1.7087889058	 0.281679
+H	-1.3640814553	 0.1470568138	 3.3347711818	 0.058153
+H	-3.9482349043	 1.4445261487	 3.3694887003	 0.109396
+H	-2.6757447474	 2.7227716346	 3.4849529992	 0.088344
+H	-3.4434083577	 2.4534415585	 0.7004409623	 0.070906
+H	-0.7813892105	 2.6173172092	 1.8802743167	 0.072097
+19
+0 3819	2.4597915	1.6751836	1.2773899	1.8859	74.23	-0.24089	0.07026	0.31115	1046.1247	0.155698	-422.499455	-422.491192	-422.490248	-422.531833	32.375
+C	-2.8371321606	 1.6160492345	-1.7639929385	-0.496725
+C	-2.552988986	 1.2210510636	-0.3331683548	 0.329107
+C	-1.8165499785	-0.1188274471	-0.0316314895	-0.29936
+C	-0.7802339715	 0.6268559906	 0.8504947293	 0.144757
+O	 0.5121081399	 0.515368384	 0.2852130431	-0.442237
+C	-1.5056983328	 1.9817261419	 0.5567914837	-0.169078
+C	-2.655554332	 2.3708353369	 1.5122546541	 0.006572
+O	-3.2556205895	 1.1564318858	 1.993516706	-0.240121
+C	-3.6404829018	 1.635017312	 0.7012294722	-0.033757
+H	-3.6123065084	 0.976314157	-2.2040470871	 0.118585
+H	-3.187233109	 2.6531744617	-1.8295646211	 0.114512
+H	-1.93794232	 1.5260488419	-2.3817576326	 0.126403
+H	-2.4023071189	-0.8862682588	 0.4760944357	 0.107048
+H	-1.3351127677	-0.5437770807	-0.9158311584	 0.109499
+H	-0.7869033964	 0.3360075123	 1.9069723233	 0.077136
+H	 1.1176029607	 1.0351696685	 0.8239645384	 0.278523
+H	-0.905142053	 2.7964015864	 0.1500635659	 0.069646
+H	-2.7589198478	 3.2449372617	 2.1458472401	 0.102382
+H	-4.7006904368	 1.7975420377	 0.5334637902	 0.097107
+19
+0 3820	2.4852599	1.6623634	1.2801527	0.925	74.32	-0.24526	0.06753	0.31279	1053.686	0.155604	-422.498591	-422.490329	-422.489385	-422.530932	32.45
+C	 2.2390377497	 1.6306224755	-0.4612828764	-0.417406
+C	 1.7723114904	 0.2420286569	-0.0439204477	 0.046611
+C	 2.6620394217	-0.4767737173	 1.0281369737	-0.316325
+C	 2.9589124197	-1.6176351946	 0.0130901273	 0.378574
+O	 4.2788678137	-1.9426514548	-0.3072516277	-0.477439
+C	 1.95228098	-2.8120495288	-0.0346847458	-0.063844
+O	 0.650660163	-2.3101926029	 0.2731732389	-0.23539
+C	 1.1506980379	-2.1285407525	-1.0628990751	 0.011621
+C	 2.0932762541	-0.8996034172	-1.0616196018	-0.116324
+H	 2.1368185635	 2.3444587124	 0.3636629282	 0.113892
+H	 3.2924487093	 1.6207093209	-0.7639736969	 0.117043
+H	 1.6527719953	 2.0083089322	-1.3066267318	 0.112521
+H	 0.7177009979	 0.2603944618	 0.2383824352	 0.084641
+H	 3.5718513927	 0.082709851	 1.2655080708	 0.096924
+H	 2.1579503006	-0.7695804084	 1.9511246829	 0.102635
+H	 4.6701125532	-2.3950108068	 0.4493816119	 0.279671
+H	 2.1469747057	-3.864178234	 0.1509532343	 0.100034
+H	 0.53599024	-2.5192084869	-1.8661499108	 0.103751
+H	 2.5301070615	-0.6352716765	-2.0248903392	 0.07881
+19
+0 3821	2.5364167	1.7345756	1.3088569	2.7245	74.56	-0.23941	0.06274	0.30215000000000003	1040.9666	0.155244	-422.497358	-422.489124	-422.488179	-422.529607	32.049
+C	 0.287581486	-0.24054433	-0.4684631109	-0.413886
+C	 0.8530641967	 0.0950158359	 0.8974210856	 0.152451
+O	 2.1954521328	-0.4540585719	 1.0736136121	-0.341633
+C	 2.7652159888	 0.8525382634	 1.2583657961	 0.444384
+C	 3.9933651843	 1.1239377398	 0.4318670213	-0.484711
+C	 2.7979007548	 1.3588700464	 2.7420686226	-0.050646
+O	 1.62465539	 0.8900073674	 3.4037634785	-0.223682
+C	 1.4972029765	 2.0341854669	 2.5582487588	 0.008863
+C	 1.3815989415	 1.5371419292	 1.0964209585	-0.210611
+H	 0.2115730037	-1.3255263308	-0.5898187677	 0.128977
+H	-0.714519662	 0.1885029727	-0.5810120841	 0.11405
+H	 0.924644631	 0.1483482027	-1.2691890136	 0.114731
+H	 0.1942825129	-0.2554293503	 1.6976941736	 0.093566
+H	 4.8026204442	 0.447570736	 0.7301826239	 0.133262
+H	 3.7915375659	 0.9663904738	-0.6310538257	 0.127215
+H	 4.3406671794	 2.1528290665	 0.575428462	 0.120275
+H	 3.6555676183	 1.5968419555	 3.3635340717	 0.100163
+H	 1.0960279222	 2.9380949687	 3.0018043117	 0.106819
+H	 1.1844751929	 2.284219848	 0.3285167057	 0.080413
+19
+0 3822	2.5827877	1.6892946	1.2224744	2.3389	74.17	-0.24489	0.07188	0.31677	1045.19	0.157186	-422.523338	-422.515259	-422.514314	-422.555567	32.235
+O	 0.601268178	 0.1894833294	 0.5407839038	-0.432355
+C	-0.7372141071	 0.5686861745	 0.7644069795	 0.147025
+C	-1.3212573906	 0.4316442789	 2.2029020359	-0.324226
+C	-1.7231773305	 1.9193280713	 2.2049643396	 0.420852
+O	-3.0539278211	 2.1190526364	 2.5721337278	-0.480509
+C	-0.6467654312	 2.8448228297	 2.7440936468	-0.127061
+C	-0.6643187905	 4.158652466	 2.0067128898	-0.320153
+C	-0.0297505722	 2.9746228153	 1.3391361884	-0.040835
+C	-1.0953274094	 2.0808917322	 0.7293167392	-0.162027
+H	 1.1433524949	 0.6092100834	 1.2170017317	 0.27956
+H	-1.3212664012	 0.0037769946	 0.0341593	 0.09452
+H	-2.1915914036	-0.2255901326	 2.2556456653	 0.116148
+H	-0.6087718409	 0.1315369488	 2.9778505366	 0.091858
+H	-3.2114553904	 3.0677904186	 2.6291349923	 0.279032
+H	-0.1485297544	 2.7343780475	 3.7019148543	 0.085443
+H	-1.591304678	 4.5731324345	 1.6139314428	 0.102175
+H	 0.0210812943	 4.9080731611	 2.3888166954	 0.117442
+H	 1.0212264788	 2.9731476827	 1.074440833	 0.089534
+H	-1.6362073849	 2.4524633477	-0.1439610722	 0.063576
+19
+0 3823	2.4037877	1.5963887	1.1959585	1.8494	75.92	-0.24675	0.00866	0.25540999999999997	1083.9235	0.157309	-422.567062	-422.558859	-422.557914	-422.599369	32.557
+O	 0.1761452409	-0.1976243832	 0.26694041	-0.436607
+C	-0.9457596563	 0.4326932482	 0.8336094393	 0.170129
+C	-1.1884804949	 0.3094779696	 2.3626291297	-0.328471
+C	-1.566702519	 1.8064582662	 2.3935210135	 0.402892
+O	-0.9975939937	 2.4692303575	 3.5050795509	-0.478977
+C	-3.0171550299	 2.1565464868	 2.1696985003	-0.17615
+C	-3.2378027067	 2.6813076323	 0.9624294178	-0.056389
+C	-1.990649795	 2.7463300738	 0.1037880696	-0.292429
+C	-0.9614883484	 1.9890210977	 0.954074594	-0.12447
+H	 0.9510299112	 0.0599824997	 0.7774793668	 0.277231
+H	-1.8028956378	 0.0765237255	 0.2544792588	 0.089501
+H	-1.9206174225	-0.4210511374	 2.714203155	 0.101404
+H	-0.2467742359	 0.1612830115	 2.9021825193	 0.102472
+H	-1.2923386291	 3.3866430457	 3.4809723922	 0.271995
+H	-3.7622552791	 2.0174728958	 2.946386173	 0.096238
+H	-4.2029980299	 3.0260255616	 0.6049361925	 0.098279
+H	-2.1413177276	 2.2693997865	-0.8732392833	 0.114423
+H	-1.7061367453	 3.786279631	-0.1056842757	 0.105332
+H	 0.0480824589	 2.4068377412	 0.9463218864	 0.063595
+19
+0 3824	2.0517612	1.6250683	1.0874164	3.7857	76.12	-0.23616	-0.02111	0.21505000000000002	1156.5307	0.155191	-422.552531	-422.543679	-422.542735	-422.586172	33.6
+C	-3.1438241749	 0.054014526	 1.1728465151	-0.487044
+C	-2.1487945869	-0.1732869743	 0.0549630898	 0.355781
+C	-2.6366622828	-0.8633749944	-1.2453719825	-0.326288
+C	-1.3561868059	-1.7430136624	-1.280345288	 0.162885
+O	-1.5169032644	-3.1285945616	-1.4202129032	-0.424266
+C	-0.9509865499	-1.2072496655	 0.1505774984	-0.266769
+C	 0.0241726528	-0.0411214455	 0.067720394	 0.424356
+O	 1.2078622347	 0.0685020718	 0.2134918152	-0.30488
+C	-1.1096363879	 0.9723946199	-0.1879943481	-0.418201
+H	-3.6997811192	-0.8607737921	 1.405676336	 0.112353
+H	-2.6449091941	 0.3841890858	 2.0909538331	 0.121043
+H	-3.8744506379	 0.8241899778	 0.8978494823	 0.123937
+H	-3.5197982172	-1.4868778286	-1.063749016	 0.095256
+H	-2.8407167834	-0.2304078941	-2.1138627757	 0.10422
+H	-0.6400129485	-1.4610022438	-2.0563620982	 0.106291
+H	-2.1644636322	-3.4276221744	-0.7725437376	 0.279932
+H	-0.8176846848	-1.9719036954	 0.9181846248	 0.083844
+H	-1.1319235566	 1.7738682602	 0.5574238569	 0.131968
+H	-1.1093810507	 1.4302501208	-1.1822079664	 0.125581
+19
+0 3825	2.1780782	1.8216339	1.1803442	4.2826	75.06	-0.26529	0.01047	0.27576	1097.4876	0.156115	-422.582691	-422.574028	-422.573083	-422.615809	32.631
+C	-0.6185739794	-1.4306975917	-2.6083453044	-0.410259
+C	-1.519486968	-1.5252143912	-1.3856217209	 0.025638
+C	-2.6664828888	-0.4765832857	-1.2087412734	-0.303563
+C	-2.1171598198	-0.1139335188	 0.1915290994	 0.45203
+C	-3.0130090169	 0.0270018792	 1.3885664115	-0.482154
+O	-1.1587967695	 1.0040379187	 0.0803123368	-0.287279
+C	-0.0894702692	 0.1446074271	-0.0302870551	 0.453075
+O	 1.0600353306	 0.4347903784	-0.1338321968	-0.337689
+C	-0.941014553	-1.115624225	 0.0145913222	-0.305162
+H	 0.2073309472	-2.1469745278	-2.5485428083	 0.126324
+H	-1.1861625092	-1.6464350205	-3.5198455869	 0.11815
+H	-0.1835126942	-0.4317571993	-2.7118109107	 0.138072
+H	-1.9265980171	-2.5370149104	-1.3052848041	 0.087393
+H	-2.6498043092	 0.3654498138	-1.9042805325	 0.118736
+H	-3.6688993098	-0.9108328995	-1.1991239718	 0.108368
+H	-3.6434948432	-0.8603995466	 1.5001252346	 0.125709
+H	-2.4263713576	 0.1568462517	 2.3026272327	 0.13407
+H	-3.6683846991	 0.8972052266	 1.275398829	 0.138167
+H	-0.6508113738	-1.8958240887	 0.7162064487	 0.100379
+19
+0 3826	2.1592441	1.748595	1.1520801	3.462	75.23	-0.23519	-0.02034	0.21485	1102.0611	0.155074	-422.55514	-422.546285	-422.545341	-422.588755	33.67
+C	-0.5659571931	-1.4821628894	-2.6423956686	-0.403548
+C	-1.4495561979	-1.6162953126	-1.408750494	 0.031704
+C	-2.6517518628	-0.6319874084	-1.2475700011	-0.323805
+C	-2.1058803193	-0.1600706315	 0.1226866307	 0.429597
+O	-2.9695245088	-0.07468302	 1.2126858158	-0.477337
+C	-1.1323168453	 1.040843143	 0.0620191336	-0.395605
+C	 0.0358622661	 0.0527592947	-0.1019088671	 0.434052
+O	 1.2195218327	 0.1946956051	-0.2249526099	-0.312935
+C	-0.8761399343	-1.1700664137	-0.015945351	-0.270345
+H	 0.317037698	-2.1248595537	-2.567897426	 0.129182
+H	-1.1186025116	-1.769408247	-3.5434046671	 0.114803
+H	-0.21163826	-0.4556504368	-2.7811661909	 0.125271
+H	-1.7954862246	-2.6507552007	-1.3276480923	 0.084638
+H	-2.7465076399	 0.1472108278	-2.0102286967	 0.104195
+H	-3.6173265515	-1.1413099872	-1.1655349232	 0.095649
+H	-3.5281590513	-0.8589043804	 1.2260485043	 0.280626
+H	-1.2734283415	 1.7921340441	-0.7198559824	 0.122326
+H	-1.0802796267	 1.5427878212	 1.0343567923	 0.14493
+H	-0.6022761883	-1.9561998942	 0.6893375136	 0.086602
+19
+0 3827	2.1554984	1.8026075	1.1779581	2.1492	75.73	-0.2435	-0.02736	0.21614	1099.7618	0.154608	-422.554092	-422.545208	-422.544263	-422.587491	33.413
+C	-0.6588721087	-1.4550004519	-2.5821077711	-0.408872
+C	-1.5237945701	-1.4680232074	-1.3390581215	 0.140762
+O	-2.4718598089	-0.3713376303	-1.2761940227	-0.34566
+C	-2.0904011388	-0.0350599153	 0.0808370666	 0.45016
+C	-3.2535236678	-0.0184602695	 1.036392641	-0.477089
+C	-1.0628072291	 1.130548751	 0.0842919059	-0.40073
+C	 0.0596057561	 0.0770206129	-0.0042387282	 0.423284
+O	 1.254236501	 0.1420827933	-0.040307847	-0.305362
+C	-0.9316829138	-1.0939277408	 0.0452277551	-0.29237
+H	 0.0411359127	-2.2968946205	-2.5654602561	 0.126558
+H	-1.2876888035	-1.5504061691	-3.4728347981	 0.129688
+H	-0.0825129848	-0.5297225783	-2.6636729957	 0.131828
+H	-2.0656131652	-2.4216977666	-1.271092007	 0.085006
+H	-3.7875689469	-0.9728609971	 1.0163364259	 0.127284
+H	-2.9181491751	 0.1740539709	 2.0604373078	 0.119941
+H	-3.9602386068	 0.7699553682	 0.7550546812	 0.134522
+H	-1.1412896759	 1.8379454865	-0.7446128684	 0.135877
+H	-1.0150262196	 1.6833079744	 1.0296810379	 0.129355
+H	-0.7519309347	-1.8926824404	 0.7643613544	 0.095816
+19
+0 3828	2.2485429	1.5685858	1.1180939	3.8336	78.02	-0.24096	-0.0224	0.21856	1136.7852	0.155012	-422.549995	-422.540773	-422.539829	-422.583592	34.209
+C	-3.7899898749	-0.8739020262	 2.061161922	-0.493948
+C	-2.4986851675	-0.9640580636	 1.3033555132	 0.300653
+C	-2.3240399347	-1.786152717	 0.0823262903	-0.364188
+C	-2.1788779432	-0.285273502	-0.0887155737	 0.231995
+C	-3.1274837778	 0.4915041429	-0.8888514517	 0.047608
+O	-4.2456926584	 0.1238178665	-1.1821180404	-0.286664
+C	-0.8405509626	 0.1897465782	 0.4516761153	 0.022045
+O	 0.2550462944	-0.2570560257	-0.3160609551	-0.431453
+C	-1.1275323659	-0.5140388246	 1.824528149	-0.325864
+H	-3.8867070081	-1.711455239	 2.7624638769	 0.125739
+H	-3.8503306298	 0.0536916233	 2.6404840129	 0.11754
+H	-4.6414386851	-0.9042019898	 1.3752707593	 0.151754
+H	-1.4366039279	-2.3959356697	-0.0599120183	 0.127263
+H	-3.2353818631	-2.1736983652	-0.3606436419	 0.141095
+H	-2.7594736919	 1.4979276672	-1.194500021	 0.068345
+H	-0.8250529767	 1.2831701974	 0.566021937	 0.074624
+H	 1.0657374254	 0.0382368896	 0.1112936752	 0.285868
+H	-0.43659842	-1.3234308	 2.0809435433	 0.103072
+H	-1.185618492	 0.1892661676	 2.6587831077	 0.104515
+19
+0 3829	2.1519576	1.6117606	1.1508066	2.8715	77.79	-0.25345	-0.03768	0.21577000000000002	1140.6822	0.154082	-422.541129	-422.531825	-422.530881	-422.574935	34.177
+C	 0.803550613	 1.0512534891	 0.003539207	-0.404025
+C	 0.8701271547	-0.4670271779	-0.1149041751	-0.061465
+C	 1.6402053425	-1.1826387215	 1.053561366	-0.298803
+C	 2.6712480242	-1.6991114823	 0.0358793543	 0.339317
+C	 4.117145001	-2.0068407885	 0.2601449851	-0.49594
+O	 1.9556512123	-2.4524851549	-0.9294409162	-0.308323
+C	 1.9317526202	-1.0167841206	-1.0825951023	 0.254087
+C	 2.4676246956	-0.4888490444	-2.3483183749	 0.060804
+O	 2.160656369	 0.5759754406	-2.8308421507	-0.264475
+H	 0.1531155423	 1.336094863	 0.8371613189	 0.113861
+H	 1.794646678	 1.479429672	 0.1890531212	 0.114005
+H	 0.4186171799	 1.5019357537	-0.9135127083	 0.143982
+H	-0.1198285562	-0.8857470567	-0.3165270001	 0.088539
+H	 2.061603838	-0.4661638602	 1.7636153849	 0.109518
+H	 1.108753621	-1.9682103183	 1.5962176408	 0.112051
+H	 4.2163643747	-2.8856941633	 0.9077644863	 0.138854
+H	 4.6231459386	-2.2223202809	-0.6837193434	 0.139221
+H	 4.6214689677	-1.1695424876	 0.7515213003	 0.13381
+H	 3.2018933335	-1.1678267414	-2.8341705138	 0.084981
+19
+0 3830	1.9416328	1.6606862	1.122825	3.821	78.8	-0.23112	-0.01641	0.21470999999999998	1153.3677	0.154742	-422.544705	-422.535371	-422.534427	-422.578559	34.427
+C	 1.0095970103	 1.082992515	-0.2536812237	-0.4139
+C	 1.0238231432	-0.4082160043	 0.061643236	-0.035507
+C	 1.7549155941	-1.3750290702	-0.9336370906	-0.297881
+C	 2.6587889428	-1.8747698646	 0.1839608331	 0.382997
+O	 2.9658769746	-3.2101118309	 0.2745443457	-0.444745
+C	 3.3937889249	-0.7881405731	 0.8562119771	-0.420838
+C	 1.9111933414	-0.9036784313	 1.2075069269	 0.182922
+C	 1.4550548672	-1.2000876576	 2.559715668	 0.058067
+O	 0.3281278532	-1.0064548768	 2.9620856867	-0.28184
+H	 0.569188798	 1.6468206709	 0.5745090901	 0.132298
+H	 2.0163175379	 1.4771068483	-0.4312302626	 0.108752
+H	 0.4152409007	 1.2841623323	-1.1513778539	 0.117826
+H	 0.002333318	-0.7524339757	 0.240223423	 0.102217
+H	 1.1012211237	-2.1655076007	-1.3066824107	 0.123203
+H	 2.2747458593	-0.9135329531	-1.7807072216	 0.100858
+H	 3.8077643754	-3.3167086971	 0.7280904853	 0.294726
+H	 4.0523576521	-1.1053452411	 1.663561194	 0.117526
+H	 3.7544792677	 0.0863355573	 0.3180139933	 0.12292
+H	 2.2285532155	-1.6576480372	 3.2216380438	 0.050399
+19
+0 3831	2.2359239	1.5716662	1.1193301	1.7662	78.13	-0.24313	-0.02789	0.21524000000000001	1150.1686	0.154172	-422.539569	-422.530268	-422.529324	-422.573338	34.156
+C	 0.8383230973	 0.9762229665	 0.4961247726	-0.411791
+C	 1.0431291037	-0.4747826821	 0.1153325648	 0.079013
+O	 1.979748803	-1.1796922759	 0.9876470791	-0.330078
+C	 2.7114061382	-1.6790256174	-0.1263691445	 0.436463
+C	 3.1144339792	-3.1156945397	-0.1271497591	-0.48641
+C	 3.3261292545	-0.5804426188	-0.9026138316	-0.387259
+C	 1.8441530242	-0.8541602872	-1.1306259565	 0.097615
+C	 1.3225625168	-1.3305649256	-2.4103238891	 0.060867
+O	 2.0074088785	-1.7209675104	-3.3318977363	-0.287453
+H	 0.4595147966	 1.0463123894	 1.520435332	 0.133212
+H	 1.7699718075	 1.5443712843	 0.4352098857	 0.125623
+H	 0.103499003	 1.4384735627	-0.1715302317	 0.124117
+H	 0.0853265033	-1.0132778644	 0.1301637995	 0.087855
+H	 3.9367742138	-3.2783629368	 0.57886868	 0.138949
+H	 2.2788728071	-3.7565670281	 0.1674774547	 0.133483
+H	 3.4550590029	-3.4078676221	-1.1239695396	 0.149852
+H	 3.6295475781	 0.3341784327	-0.402753142	 0.121087
+H	 3.9302064869	-0.8830226207	-1.7515616339	 0.148295
+H	 0.2104052754	-1.3452979767	-2.4788908739	 0.06656
+19
+0 3832	2.653482	1.4987459	1.233909	2.9299	75.35	-0.23417	-0.00299	0.23118	1078.599	0.15686	-422.574063	-422.565535	-422.564591	-422.606754	32.68
+C	-0.6945835897	-2.4347622941	-0.3366005612	-0.498953
+C	-0.9925001059	-0.9995978742	 0.0151807013	 0.203409
+C	-1.6603240045	 0.0268564705	-0.9711761488	-0.280079
+C	-1.0311113926	 1.1210769535	-0.0439172287	-0.151425
+C	-1.8036872671	 0.8873605637	 1.2633885695	 0.123776
+O	-3.1120517918	 1.4147882016	 1.127233429	-0.437492
+C	-1.7562240551	-0.6817640045	 1.3251705486	-0.297994
+C	 0.1016309761	 0.0856582453	 0.0981172196	 0.399849
+O	 1.2967841642	 0.1002393767	 0.0748631467	-0.329052
+H	-0.1127626168	-2.9158584989	 0.4568198785	 0.128227
+H	-1.615910481	-3.0116088517	-0.4722060563	 0.118856
+H	-0.1121041984	-2.5014260625	-1.2606740666	 0.127073
+H	-1.2210516983	 0.0054656687	-1.9699507062	 0.112902
+H	-2.7500706907	 0.0231680164	-1.0156851753	 0.122479
+H	-0.8608978118	 2.1477677678	-0.3576857215	 0.088951
+H	-1.2931022848	 1.3471669739	 2.1199848162	 0.077157
+H	-3.6027361025	 1.2064943945	 1.9290584001	 0.283153
+H	-1.2396326079	-1.0611663322	 2.2121070082	 0.106346
+H	-2.7707379115	-1.0933249745	 1.308446317	 0.102815
+19
+0 3833	2.6559693	1.5211313	1.2360402	2.49	75.49	-0.24341	-0.00994	0.23346999999999998	1093.4379	0.155962	-422.563227	-422.554574	-422.55363	-422.596148	32.673
+C	-3.2875173354	 1.4371023603	-1.2833071064	-0.413579
+C	-1.8856199961	 0.8338289358	-1.3337169941	 0.021435
+C	-1.866017802	-0.737077746	-1.3286132813	-0.285871
+C	-1.0746410396	-0.9782205075	-0.0260636969	 0.287968
+C	-0.9313854194	-2.3510518562	 0.5574388259	-0.499744
+O	-1.6578850108	 0.0442931775	 0.8706246225	-0.328164
+C	-1.0853252359	 1.0488901603	-0.0293582561	-0.059223
+C	 0.0792067102	 0.0486378553	-0.1585243242	 0.415681
+O	 1.2701378943	 0.0461591096	-0.1316872145	-0.321332
+H	-3.8140467957	 1.1002580483	-0.3854233668	 0.133426
+H	-3.250336836	 2.5315268316	-1.269571046	 0.115454
+H	-3.8742965086	 1.1319792446	-2.1561023233	 0.117733
+H	-1.3340549319	 1.2356996857	-2.1904751969	 0.085079
+H	-2.8728278908	-1.1589243615	-1.2544017878	 0.110725
+H	-1.3722260432	-1.1684364413	-2.2039511699	 0.111442
+H	-0.3595303695	-2.3201939774	 1.488146319	 0.141622
+H	-1.9125233323	-2.7917650572	 0.760801473	 0.132489
+H	-0.4056229054	-3.0002165713	-0.1493762402	 0.136362
+H	-0.9991630218	 2.0448961795	 0.4015109041	 0.098497
+19
+0 3834	2.4514728	1.5616968	1.3452982	2.1818	74.84	-0.23365	-0.00851	0.22514	1053.8858	0.156942	-422.574353	-422.565889	-422.564945	-422.606989	32.629
+C	-1.3073261084	 1.4974317287	 2.4854419462	-0.415798
+C	-1.8605906145	 0.889269069	 1.1988654618	 0.029003
+C	-2.074482685	-0.6683460374	 1.2591561445	-0.274785
+C	-1.1824703917	-1.1108825324	 0.0874960571	 0.315193
+O	-1.0890284887	-2.4685038891	-0.1347968459	-0.482258
+C	-1.5545166781	-0.0299895974	-1.013912227	-0.313302
+C	-0.8936979633	 0.9728796086	-0.0127956404	-0.154205
+C	 0.0469472925	-0.2097518598	 0.2624825783	 0.366716
+O	 1.226873249	-0.4161940748	 0.3028810309	-0.344151
+H	-0.363676443	 1.0218635731	 2.7758276908	 0.129058
+H	-1.1172338435	 2.5694677174	 2.3666951695	 0.117647
+H	-2.0133390165	 1.3716916589	 3.3128208007	 0.119604
+H	-2.8000003291	 1.3881331277	 0.9387228359	 0.079214
+H	-1.7353756577	-1.1023093453	 2.2043070837	 0.112318
+H	-3.1147906305	-0.9654673511	 1.1024203638	 0.110187
+H	-0.2029898976	-2.6527981526	-0.4705890234	 0.294131
+H	-0.9991217031	-0.1552819679	-1.9450379335	 0.114248
+H	-2.6215913616	 0.1068175497	-1.2024345627	 0.110883
+H	-0.5253799392	 1.9492019049	-0.3181907605	 0.086297
+19
+0 3835	2.5860342	1.5690281	1.2637491	2.5562	76.03	-0.22387	-0.01486	0.20901	1079.1269	0.155798	-422.560758	-422.552134	-422.55119	-422.593552	32.784
+C	-2.6789896184	 1.199362829	-1.9238375459	-0.411883
+C	-1.3470921779	 0.637999249	-1.4570062269	 0.148152
+O	-1.4411766002	-0.8010683595	-1.2366915226	-0.330215
+C	-0.9444295255	-0.9797869419	 0.1068192116	 0.313771
+C	-0.9074413076	-2.4230942284	 0.5047069694	-0.497606
+C	-1.6611501194	 0.1708179387	 0.8796220474	-0.297705
+C	-0.8247061019	 1.0902052136	-0.0750918317	-0.207787
+C	 0.2589634563	 0.0017394887	 0.1153458283	 0.409112
+O	 1.4317896343	-0.0395929859	 0.3293873356	-0.318957
+H	-3.4513456502	 1.1194105108	-1.154469468	 0.120127
+H	-2.5704401365	 2.2530927029	-2.2011227462	 0.117974
+H	-3.0200597499	 0.6469950458	-2.8047477131	 0.133622
+H	-0.5885805783	 0.8229340597	-2.2297588897	 0.088924
+H	-0.5073931499	-2.5284011834	 1.5166872052	 0.129875
+H	-1.9102976371	-2.8595965193	 0.4749363452	 0.131255
+H	-0.2676808376	-2.9862447156	-0.1805185716	 0.141811
+H	-2.7467480525	 0.1974853738	 0.7767223846	 0.116687
+H	-1.3591450544	 0.2525594646	 1.9256654689	 0.119696
+H	-0.6484995035	 2.1492482274	 0.0957014495	 0.093147
+19
+0 3836	2.9921262	1.5679237	1.404174	1.9248	74.21	-0.24112	0.00022	0.24134	1003.0306	0.157803	-422.570851	-422.563041	-422.562097	-422.602519	31.613
+C	-2.7259773899	 2.1374514876	 3.6308123161	-0.488936
+C	-1.7308346499	 1.8999827124	 2.5204834584	 0.357461
+C	-1.1704562862	 0.4483583035	 2.3589532089	-0.29153
+C	-0.7289674158	 0.4527646909	 0.8639858707	 0.140439
+O	 0.6223417403	 0.1284859914	 0.6177598922	-0.439548
+C	-1.1474545277	 1.9113883405	 0.4484748218	-0.018669
+O	-2.3356224836	 2.0824525619	 1.2209659665	-0.275433
+C	-0.1688446781	 2.8551388551	 1.1374948236	-0.114692
+C	-0.5237215399	 2.8373583106	 2.4232586674	-0.116893
+H	-3.5729544842	 1.4518080295	 3.5369120642	 0.128254
+H	-2.2581848078	 1.9733055679	 4.6065384635	 0.119058
+H	-3.1050495976	 3.162745613	 3.5958019898	 0.130067
+H	-0.3363262297	 0.2224542727	 3.0281901784	 0.09676
+H	-1.9646368057	-0.280113962	 2.5417566343	 0.105686
+H	-1.3113245814	-0.2654934867	 0.2834574388	 0.097228
+H	 1.1614727197	 0.7389817957	 1.1337556022	 0.275412
+H	-1.3388247266	 2.0606408799	-0.6129899703	 0.079199
+H	 0.6750845682	 3.347406988	 0.6733994088	 0.110774
+H	-0.0398709539	 3.3084900081	 3.2691800145	 0.105365
+19
+0 3837	2.66218	1.8301023	1.415481	1.269	75.	-0.24133	0.00402	0.24534999999999998	994.2628	0.15669	-422.568984	-422.561032	-422.560088	-422.600799	31.699
+C	 0.3673888124	 0.1368061092	-0.4905728139	-0.408191
+C	 0.9187934544	-0.0101461778	 0.919918621	 0.150018
+O	 2.2655494841	-0.5074063524	 0.8795742844	-0.325009
+C	 3.0677932082	 0.5410759936	 1.4941364865	 0.454982
+C	 4.4902267786	 0.4618019439	 1.0195604465	-0.492937
+O	 2.3970887084	 1.7212875393	 1.087910683	-0.263743
+C	 1.1309451584	 1.3571304138	 1.6612168902	-0.047105
+C	 1.514393091	 1.0010319127	 3.0909166983	-0.104596
+C	 2.7388634651	 0.484841677	 2.990721845	-0.11522
+H	 0.4297906344	-0.8164330899	-1.0228212942	 0.125156
+H	-0.6832626373	 0.4463944899	-0.4634504838	 0.106994
+H	 0.9449236406	 0.8817986608	-1.0437504752	 0.132479
+H	 0.2989299895	-0.6923608018	 1.5143429736	 0.07625
+H	 5.082920934	 1.2590704457	 1.4745330813	 0.132435
+H	 4.9210299608	-0.5030119893	 1.298420256	 0.132878
+H	 4.5238990922	 0.5610350908	-0.0674218899	 0.137903
+H	 0.3772117114	 2.1231200284	 1.4890536443	 0.087347
+H	 0.8555172397	 1.0400196091	 3.9472501807	 0.109513
+H	 3.3459339141	 0.0007936471	 3.7431159561	 0.110846
+19
+0 3838	2.8920844	1.5415027	1.3870764	0.7754	74.25	-0.23779	0.0069	0.24469	1000.5479	0.158448	-422.578242	-422.570541	-422.569597	-422.609713	31.756
+O	 0.6034891637	 0.1694692917	 0.6570800897	-0.44347
+C	-0.7607882206	 0.4788177452	 0.8434524316	 0.159745
+C	-1.2485783503	 0.4389980263	 2.3259234114	-0.30902
+C	-1.8515731748	 1.8673780789	 2.5353959657	 0.397399
+O	-2.6209907484	 2.0564284874	 3.6924335942	-0.508384
+C	-2.5036847485	 2.0944384744	 1.1438876617	-0.276713
+C	-1.1663183948	 1.9293682026	 0.3880538115	-0.095915
+C	-0.284369254	 2.8862374941	 1.17867153	-0.117037
+C	-0.688400569	 2.8401708585	 2.4521817176	-0.098614
+H	 1.112124393	 0.8139173367	 1.1634087035	 0.274317
+H	-1.3011490166	-0.2540324361	 0.2379723507	 0.088654
+H	-2.0214028203	-0.3247288539	 2.4730903537	 0.087757
+H	-0.4290525521	 0.2215396736	 3.0146857081	 0.104381
+H	-3.2671770206	 1.3444176428	 3.7428762552	 0.27555
+H	-3.2518381909	 1.3344452618	 0.8884115472	 0.082568
+H	-2.9366269265	 3.0922626514	 1.0455865478	 0.105258
+H	-1.1695879458	 2.0586433019	-0.6939605056	 0.06623
+H	 0.5670105487	 3.4217796036	 0.7777611478	 0.101492
+H	-0.2550433019	 3.316386629	 3.3225319883	 0.105802
+19
+0 3839	2.8266648	1.3929632	1.0927097	2.9917	75.58	-0.24315	-0.02364	0.21951	1148.5118	0.15665	-422.580896	-422.572254	-422.571309	-422.614268	32.928
+C	-3.3041992459	 1.5922584442	 0.3266219129	-0.485685
+C	-2.2466423504	 0.7518303203	-0.3478286528	 0.340455
+C	-1.564648169	 1.2374298654	-1.5876891053	-0.314339
+C	-0.7652194656	 1.1171222067	-0.2916908038	-0.199593
+C	 0.0112277837	-0.1496251166	-0.1778302704	 0.358846
+O	 1.2027037339	-0.3224681754	-0.2893583132	-0.345469
+C	-0.9636864506	-1.2942235223	 0.1263450346	 0.074217
+O	-0.5843373647	-2.4987767655	-0.4841279155	-0.438241
+C	-2.3628048326	-0.7847432051	-0.264780426	-0.331079
+H	-3.379322836	 1.3547055093	 1.3936798252	 0.12184
+H	-3.0822034644	 2.6602513468	 0.2352822736	 0.11869
+H	-4.2886609474	 1.4181747701	-0.122457408	 0.125892
+H	-1.3633295374	 0.5393565051	-2.3946598835	 0.127306
+H	-1.7542847531	 2.254145318	-1.9155173702	 0.122838
+H	-0.377523688	 2.0258624418	 0.1533708086	 0.109504
+H	-0.9300190099	-1.3837732981	 1.2300590426	 0.093075
+H	 0.3812220673	-2.4615153727	-0.5502976097	 0.291174
+H	-2.6573367393	-1.2213348625	-1.2239416756	 0.121129
+H	-3.1124530706	-1.0777843197	 0.4737981265	 0.10944
+19
+0 3840	2.8504163	1.3888936	1.0916688	3.0423	75.53	-0.23766	-0.02643	0.21123	1163.7083	0.155707	-422.580714	-422.571873	-422.570929	-422.613993	33.099
+C	-0.5094324483	 2.2407165575	 1.2008089795	-0.401778
+C	-0.848832946	 1.1835711494	 0.1540173384	-0.107747
+C	-2.2996333404	 0.6426454606	 0.1804990892	-0.295598
+C	-2.2041521212	-0.804448586	-0.2968846186	 0.407145
+C	-3.3730916479	-1.73978821	-0.1638660084	-0.481873
+O	-1.4314003867	-0.9080655032	-1.4959490087	-0.285285
+C	-0.7886874955	-1.2369729807	-0.2460623259	-0.148705
+C	 0.0174556624	-0.0820805057	 0.2845747545	 0.420784
+O	 1.1066838321	-0.1534980794	 0.795369686	-0.326748
+H	-0.7322881626	 1.880603468	 2.2106887457	 0.1188
+H	 0.5560408616	 2.4809268975	 1.1647566796	 0.138357
+H	-1.0806841897	 3.1585507633	 1.0331024314	 0.11378
+H	-0.6445123308	 1.5831961277	-0.8473158436	 0.12046
+H	-2.6933529226	 0.6609604838	 1.2041013778	 0.109094
+H	-2.9846020716	 1.2243234743	-0.444702828	 0.11314
+H	-3.6699058918	-1.8435738145	 0.8846886858	 0.128819
+H	-4.2346154212	-1.3546154226	-0.7204572485	 0.132717
+H	-3.1245828764	-2.7272104625	-0.5600216777	 0.136758
+H	-0.4565854734	-2.2627357176	-0.1200391084	 0.107879
+19
+0 3841	2.7796556	1.3807508	1.093898	2.3741	75.86	-0.23307	-0.00916	0.22391	1150.4144	0.156603	-422.584123	-422.575521	-422.574577	-422.616987	33.184
+C	-0.5315353567	 2.2615088379	 1.1175406531	-0.401689
+C	-0.8793310914	 1.1882943044	 0.0895094521	-0.114337
+C	-2.3050815839	 0.5989045044	 0.1821094581	-0.297167
+C	-2.1970980053	-0.8458006043	-0.2979366364	 0.41793
+O	-3.2078440948	-1.7356936293	 0.0376712521	-0.462152
+C	-1.5094234813	-1.0908512449	-1.5828427514	-0.324558
+C	-0.7112354701	-1.2419995701	-0.2784177594	-0.228768
+C	 0.0423629944	-0.0481733344	 0.1877899958	 0.420655
+O	 1.1585521921	-0.0386820504	 0.650532891	-0.342056
+H	-0.7021711823	 1.896986639	 2.1359044442	 0.118185
+H	 0.524407457	 2.5306080325	 1.037824926	 0.139052
+H	-1.1366702824	 3.1612224656	 0.9714935535	 0.111544
+H	-0.7309375408	 1.6066487109	-0.9164525358	 0.104378
+H	-2.6281932042	 0.5942231952	 1.2323774083	 0.095853
+H	-3.0509991124	 1.1667357383	-0.3833555977	 0.111386
+H	-3.2834038475	-1.7577819642	 0.9986468435	 0.284733
+H	-1.7431412754	-2.0320863312	-2.0669101262	 0.135689
+H	-1.2830476043	-0.2726787987	-2.2582550486	 0.122602
+H	-0.3629378908	-2.2298885508	-0.0055935821	 0.10872
+19
+0 3842	2.656887	1.5133824	1.1506582	2.37	76.34	-0.23257	-0.01856	0.21401	1124.1594	0.155482	-422.573986	-422.565166	-422.564221	-422.607243	33.266
+C	-0.7912658834	 2.1126343058	-1.1725262387	-0.39329
+C	-0.9356152535	 1.1283186925	-0.021913542	-0.002048
+O	-2.2672741547	 0.6201334765	 0.0456937654	-0.309769
+C	-2.2572730489	-0.7780561453	 0.2590137441	 0.444112
+C	-3.4714325525	-1.450888112	-0.3117627552	-0.463214
+C	-1.5709714429	-1.2400856355	 1.498546066	-0.353532
+C	-0.8358646926	-1.2967252313	 0.1452055398	-0.239532
+C	-0.0152447577	-0.1003635603	-0.1758017344	 0.40103
+O	 1.1300720277	-0.0598917805	-0.5514565273	-0.334024
+H	-1.0778853227	 1.6400770039	-2.1161155644	 0.124808
+H	-1.4251072516	 2.9883801118	-1.0134078114	 0.124838
+H	 0.2522773103	 2.4301039477	-1.2439059	 0.139513
+H	-0.6794442778	 1.6299862668	 0.9253216312	 0.102544
+H	-4.3776242915	-1.0516679255	 0.1550584625	 0.135758
+H	-3.5378746238	-1.2767114008	-1.3896486354	 0.13083
+H	-3.4380256761	-2.5282062125	-0.1297122884	 0.122181
+H	-1.2501535712	-0.511428361	 2.2350479204	 0.128789
+H	-1.8490562	-2.2053653887	 1.9068530473	 0.127705
+H	-0.5576995171	-2.2558747415	-0.2716372994	 0.1133
+19
+0 3843	2.6625623	1.5928961	1.3171195	2.8872	75.89	-0.24492	-0.01013	0.23479	1044.6134	0.157629	-422.564775	-422.556658	-422.555714	-422.596804	32.187
+C	-2.1060315758	 3.2662802014	-1.6625884814	-0.471359
+C	-1.7514515491	 1.9953533217	-0.9294336927	 0.389553
+C	-1.2984884023	 2.1354427811	 0.5117151452	-0.306291
+C	-0.8336188451	 0.802672026	 1.1305637657	 0.068935
+O	 0.469722152	 0.4474507376	 0.6758720551	-0.43885
+C	-1.8246233316	-0.309737927	 0.8586020942	-0.112336
+C	-2.5250316608	-0.3529826247	-0.276690845	-0.036202
+C	-2.3713596008	 0.70520281	-1.3032654323	-0.057305
+O	-1.0089763142	 1.0351766729	-1.7040492137	-0.302386
+H	-2.9131370396	 3.7983823787	-1.1482405035	 0.124846
+H	-1.2397527695	 3.9350188469	-1.7101160529	 0.130394
+H	-2.4257939045	 3.0483510683	-2.6846694755	 0.128714
+H	-0.4673998754	 2.8466975331	 0.5759953993	 0.114371
+H	-2.1301712294	 2.5488220232	 1.0965742206	 0.106292
+H	-0.727717409	 0.9401044055	 2.21148049	 0.084393
+H	 0.3847542877	 0.3575784249	-0.28415488	 0.287078
+H	-1.9077044242	-1.1047785556	 1.5932770578	 0.102045
+H	-3.214834521	-1.1642134789	-0.4889587897	 0.09704
+H	-3.0619604874	 0.685181775	-2.1436839212	 0.091067
+19
+0 3844	2.4208696	1.7730844	1.3107561	2.3924	76.26	-0.23379	-0.00255	0.23124	1020.1562	0.15751	-422.559805	-422.551471	-422.550527	-422.592228	32.877
+O	 0.509660585	 0.7789109384	 0.5141218834	-0.448135
+C	-0.8124793154	 0.9094006455	 1.0749612991	 0.094032
+C	-1.37996849	 2.212086058	 0.5068357292	-0.303465
+C	-1.5321335954	 2.0866396317	-1.0092641753	 0.440129
+O	-0.5461632172	 2.7388678055	-1.7583867945	-0.480378
+C	-2.8976344691	 2.0212089729	-1.6188853081	-0.339238
+C	-2.0388231943	 0.7583873511	-1.5142742812	-0.133002
+C	-2.2780066601	-0.307916524	-0.5121231199	-0.049164
+C	-1.7090198306	-0.2537094952	 0.6959065288	-0.138021
+H	 0.7226904871	-0.158562531	 0.4788918482	 0.281814
+H	-0.7299768958	 0.9755855746	 2.1688181866	 0.064495
+H	-2.3366782631	 2.4251433998	 0.9930312511	 0.102055
+H	-0.7044107454	 3.0454547931	 0.7226900089	 0.112374
+H	 0.2871175719	 2.3204186917	-1.5060905931	 0.282908
+H	-3.757785111	 2.125040778	-0.9656270802	 0.11153
+H	-3.017757978	 2.4360117704	-2.6132451229	 0.12114
+H	-1.6284215783	 0.431545544	-2.4662772814	 0.097202
+H	-2.9132057766	-1.1473022905	-0.788832242	 0.094031
+H	-1.8770633737	-1.0365555539	 1.4303670232	 0.089694
+19
+0 3845	2.9696887	1.5796113	1.2791425	1.3998	73.85	-0.2237	0.07744	0.30114	1034.485	0.157026	-422.535668	-422.527741	-422.526797	-422.567653	31.555
+C	-3.3384365072	 1.291629651	-1.7834749256	-0.479749
+C	-2.5786347742	 1.2024715614	-0.4862759896	 0.410617
+C	-1.7389772348	-0.0468892459	-0.2256094328	-0.249521
+C	-0.9806685265	 0.266499598	 1.0848581878	 0.126249
+O	 0.3819308243	-0.1053618623	 0.904366153	-0.441157
+C	-1.1608518587	 1.777214174	 1.2626767646	-0.130282
+C	-2.5783581523	 2.3155293019	 1.2218739726	 0.089318
+O	-3.4776082074	 1.3505276338	 0.6826088014	-0.342183
+C	-1.7221397077	 2.4031785065	 0.0023837301	-0.202889
+H	-4.0465212376	 0.4610605346	-1.8681684578	 0.128246
+H	-3.9009615793	 2.2274850177	-1.836507766	 0.127185
+H	-2.6509525022	 1.2457506351	-2.6346945134	 0.119863
+H	-2.361603589	-0.9425228101	-0.1537791049	 0.105404
+H	-1.0004329371	-0.1924401674	-1.0212235132	 0.112927
+H	-1.4121222821	-0.2834303463	 1.9322025869	 0.073169
+H	 0.8319215157	-0.0067308452	 1.7492771601	 0.27873
+H	-0.4425791672	 2.3302262057	 1.8597453659	 0.080255
+H	-2.9773164668	 3.0607684973	 1.9002968954	 0.100402
+H	-1.3260680097	 3.2292311702	-0.5716142646	 0.093416
+19
+0 3846	2.8016229	1.6475041	1.4069791	1.6495	73.73	-0.24344	0.06902	0.31245999999999996	984.2701	0.1579	-422.545055	-422.537262	-422.536318	-422.576691	31.612
+O	 0.0661107985	 0.0735619063	-0.0527724754	-0.429889
+C	-0.600189338	 0.875698732	 0.9194806318	 0.080203
+C	-1.1114962157	 0.081942725	 2.1550716623	-0.297064
+C	-2.6086493245	-0.1118520946	 1.8782827749	 0.401659
+O	-3.3939297208	-0.4934039002	 2.9751171397	-0.497921
+C	-2.8290241022	-0.8719199397	 0.52448247	-0.290057
+C	-2.9585881988	 0.4909344273	-0.1561613848	-0.056285
+C	-1.8709004179	 1.448782478	 0.30604316	-0.036789
+C	-3.0666496758	 1.2006260119	 1.1797763094	-0.125637
+H	 0.910637045	-0.1997281691	 0.3192895869	 0.279864
+H	 0.0623018054	 1.6919745274	 1.2400256618	 0.065069
+H	-0.569123094	-0.8632740008	 2.2760801445	 0.080068
+H	-0.9915686032	 0.6710229338	 3.071186324	 0.099589
+H	-3.1099203184	-1.3698872271	 3.2563693374	 0.275525
+H	-2.037572247	-1.5443371438	 0.181441474	 0.095885
+H	-3.7914666997	-1.3900124662	 0.5510250546	 0.098153
+H	-3.5012343506	 0.6913657021	-1.072233656	 0.083492
+H	-1.8075812592	 2.3759739468	-0.2518335516	 0.084788
+H	-3.7662496329	 1.9336420109	 1.5574075266	 0.089346
+19
+0 3847	2.7125817	1.5841935	1.2457286	2.4282	75.82	-0.23517	0.01708	0.25225	1049.0407	0.157333	-422.564042	-422.555925	-422.554981	-422.596344	32.328
+O	 0.8138825341	 0.1964963035	 0.9656669964	-0.440052
+C	-0.5681783913	 0.4139076788	 0.7875691563	 0.136428
+C	-1.4088421951	 0.2700543269	 2.0904576969	-0.310911
+C	-1.4184510429	 1.8249968199	 2.2341881454	 0.396241
+O	-0.4197070103	 2.3086580603	 3.1154228359	-0.498034
+C	-2.7964093676	 2.5034274846	 2.3390532311	-0.345013
+C	-3.2118676001	 2.6156779683	 0.8883122649	-0.061768
+C	-2.2255632965	 2.3084463677	 0.0412524936	-0.094308
+C	-0.9562404577	 1.9266981432	 0.746952686	-0.107254
+H	 1.0949302621	 0.7521250034	 1.7035045443	 0.283315
+H	-0.8704847497	-0.1999290667	-0.0642991178	 0.08086
+H	-2.4038107361	-0.1483226026	 1.9195650588	 0.103872
+H	-0.9153080273	-0.2815751593	 2.8953746123	 0.094163
+H	-0.6530228394	 2.0377691594	 4.0105614412	 0.277871
+H	-3.5072205974	 1.9221173141	 2.9410513039	 0.098347
+H	-2.7059710452	 3.4913078736	 2.8110304412	 0.11125
+H	-4.2064420973	 2.9330927336	 0.5931228067	 0.095152
+H	-2.3048326861	 2.3375677942	-1.0404086046	 0.096391
+H	-0.1122947961	 2.5885803572	 0.5238998575	 0.08345
+19
+0 3848	2.936787	1.4689747	1.2298543	1.5249	76.99	-0.24592	-0.00891	0.23701	1069.7573	0.156712	-422.530006	-422.521606	-422.520662	-422.56253	32.591
+C	-0.0896973152	 1.6262386973	-0.1268672828	-0.445219
+C	-0.0113722255	 0.1167740664	 0.0415088515	 0.415264
+C	-1.3714619665	-0.588116285	 0.1681131979	-0.314494
+C	-1.456302104	-0.8970466769	 1.7058064649	 0.111232
+O	-2.1083240441	 0.1218222933	 2.4617808105	-0.437095
+C	 0.0131464636	-1.1135316996	 2.0765411268	-0.255297
+C	 0.763333161	-0.4736674541	 1.1856634884	 0.1526
+C	 1.9502798923	-0.6151418991	 0.269025372	-0.17111
+O	 1.0380397337	-0.4303725518	-0.8550335645	-0.344513
+H	 0.8830801387	 2.1022273565	 0.0264725132	 0.116949
+H	-0.4309304133	 1.865433008	-1.1394218275	 0.132855
+H	-0.808205027	 2.0553448669	 0.5796166253	 0.1148
+H	-2.2315049599	-0.0075884858	-0.1753570954	 0.10122
+H	-1.3326968577	-1.5320156576	-0.3835900543	 0.115744
+H	-2.048647723	-1.7997296321	 1.8855201939	 0.09013
+H	-1.4580797062	 0.8085686163	 2.6403808617	 0.278936
+H	 0.3349185222	-1.768697195	 2.876853728	 0.105028
+H	 2.7031213464	 0.1824777763	 0.3098572642	 0.110084
+H	 2.4489091244	-1.589448604	 0.2548862762	 0.122887
+19
+0 3849	3.0309549	1.3337234	1.1403742	0.3635	78.27	-0.2356	0.01138	0.24698	1129.3457	0.156684	-422.541998	-422.533498	-422.532554	-422.574717	33.143
+O	-0.0306463635	 1.4637877339	-0.0031025133	-0.430809
+C	 0.0701969461	 0.0433308898	 0.038530397	 0.093431
+C	-1.3691168205	-0.5453895683	 0.0258910798	-0.301917
+C	-1.2580016018	-1.7981371323	 0.9160745778	 0.35538
+O	-1.0885943767	-3.000762299	 0.1726368071	-0.492962
+C	-2.0313751751	-2.0531499505	 2.2630440818	-0.287545
+C	-0.6345571897	-2.232680611	 2.9779787285	-0.326714
+C	-0.0603177201	-1.5126366629	 1.7813247002	 0.302396
+C	 0.6493580531	-0.4740658861	 1.3616852787	-0.279106
+H	 0.8509567846	 1.8211088356	-0.1476425693	 0.281407
+H	 0.6515750333	-0.3102834511	-0.8271753012	 0.077355
+H	-2.0199734419	 0.2106892044	 0.4756473311	 0.112939
+H	-1.7332846963	-0.7654805624	-0.9813482691	 0.090603
+H	-1.9470499683	-3.2338077008	-0.1974653837	 0.276262
+H	-2.5603398756	-1.1667144508	 2.6198920945	 0.109346
+H	-2.6994537149	-2.9185616936	 2.275732015	 0.094079
+H	-0.4940513131	-1.7800552513	 3.9618757505	 0.109944
+H	-0.353211314	-3.2885333362	 3.0221141219	 0.124436
+H	 1.4564965244	 0.0390126525	 1.8739737228	 0.091475
+19
+0 3850	2.844095	1.5225035	1.2410036	1.8332	78.4	-0.22764	-0.00345	0.22419	1065.8926	0.156273	-422.528686	-422.520238	-422.519294	-422.561174	32.688
+C	-0.1606922713	 1.6770036356	-0.2535667833	-0.443742
+C	 0.0630258169	 0.1836894279	-0.059650082	 0.384674
+C	-1.1965311193	-0.5742299904	 0.5265201973	-0.316261
+C	-0.5105374301	-0.538430278	 1.9506669511	 0.003532
+O	-0.8697341077	 0.5841020076	 2.7349036946	-0.426513
+C	 0.7663425182	-0.3131293362	 1.1705004424	 0.221288
+C	 1.8619399188	-0.9860607639	 0.8428994005	-0.236894
+C	 2.043514904	-0.8615890439	-0.6621074812	-0.125065
+O	 0.7912786466	-0.3582829412	-1.158442697	-0.321216
+H	 0.7941268092	 2.1896729628	-0.4034207888	 0.116951
+H	-0.7841327298	 1.8477082001	-1.1375559995	 0.117721
+H	-0.6575371628	 2.1060648751	 0.6195461069	 0.130426
+H	-2.1620176503	-0.063259436	 0.4563329785	 0.094686
+H	-1.2666681949	-1.5899211415	 0.1336310385	 0.113182
+H	-0.5559155072	-1.4633344657	 2.5381490474	 0.079232
+H	-1.7864651497	 0.4682088399	 3.0062691817	 0.286339
+H	 2.4514284739	-1.6553339303	 1.4573390006	 0.106523
+H	 2.8683466256	-0.1941983064	-0.9597369837	 0.105035
+H	 2.23795151	-1.8417027355	-1.118088304	 0.110103
+19
+0 3851	2.5479985	1.5478836	1.1636482	1.9459	78.47	-0.22769	0.0123	0.23999	1103.6037	0.15664	-422.542767	-422.534193	-422.533249	-422.575584	33.15
+O	-0.2218487605	 1.4390647889	 0.0894845008	-0.426071
+C	-0.0067919464	 0.0542975192	 0.0284320991	 0.028352
+C	 0.2668452449	-0.6399259804	-1.3727663024	-0.336867
+C	-0.7107235858	-1.7873520926	-0.9293961941	 0.356924
+O	-0.0156583505	-2.8588528644	-0.2992263154	-0.495763
+C	-1.9702911282	-2.2334317772	-1.7063110163	-0.286896
+C	-3.1503167386	-1.8641777821	-0.7488715279	-0.245915
+C	-2.567373351	-0.7562538573	 0.125267319	-0.221091
+C	-1.2420864262	-0.7996158824	 0.0746995082	 0.270743
+H	 0.628588749	 1.8733476809	 0.2049865331	 0.285629
+H	 0.7505681347	-0.2746478333	 0.7527762937	 0.090056
+H	-0.1414223338	-0.0252327378	-2.1780658048	 0.10936
+H	 1.2994296776	-0.9295971238	-1.589698012	 0.086549
+H	 0.4694138992	-3.3305111222	-0.9850890955	 0.274353
+H	-2.0696424525	-1.6714014794	-2.6405628004	 0.10004
+H	-1.9397523177	-3.2982851738	-1.9547673066	 0.091187
+H	-4.0285353991	-1.5150893686	-1.3025829621	 0.103076
+H	-3.4816406025	-2.7269800784	-0.1560780674	 0.113907
+H	-3.1768617925	-0.0071575353	 0.616830861	 0.102427
+19
+0 3852	4.235156	1.1799567	1.0901058	1.4021	75.94	-0.2404	0.07634	0.31674	1170.8395	0.156237	-422.477328	-422.469399	-422.468455	-422.509956	30.75
+C	 0.045574606	 0.5135771845	 0.2183528449	-0.396875
+C	 0.6871806677	-0.7804797506	-0.235892873	 0.145371
+C	 1.3999450938	-1.6582338941	 0.8197872062	-0.398901
+C	 2.6460608846	-1.4028439431	-0.0249548585	 0.529211
+O	 1.9484883823	-0.5567557453	-0.9331012041	-0.346896
+C	 4.057494853	-1.054738655	 0.5093287262	-0.030248
+C	 4.6459697305	-1.3747428511	-0.8851095371	-0.238111
+C	 3.6427485126	-2.4893754114	-0.5070297478	-0.033179
+O	 4.1869598315	-2.4864604268	 0.8718964346	-0.319187
+H	-0.8816165827	 0.3068762808	 0.7642300935	 0.118374
+H	 0.7191433761	 1.0724939035	 0.8755761781	 0.119182
+H	-0.1975086424	 1.1449123918	-0.641933596	 0.128412
+H	 0.0013997296	-1.3419616987	-0.8829940572	 0.079468
+H	 1.4309279906	-1.2287034027	 1.8231975221	 0.114862
+H	 1.0755482287	-2.6973463859	 0.8837818793	 0.117735
+H	 4.3676880214	-0.3163611248	 1.2495176334	 0.091647
+H	 4.3843932267	-0.7132254368	-1.7129580394	 0.120249
+H	 5.6929713264	-1.6802248256	-0.8808716056	 0.106425
+H	 3.4594738434	-3.4569295985	-0.9755289499	 0.092461
+19
+0 3853	3.7021685	1.2162108	1.1610081	1.5953	75.5	-0.23028	0.07166	0.30194	1179.1138	0.156478	-422.474184	-422.466294	-422.46535	-422.506759	31.032
+O	-0.2401125798	-0.0499765012	-0.1625962069	-0.438741
+C	-0.4939738928	 0.8315996824	 0.9170312472	 0.120092
+C	-1.8107917625	 1.5925340516	 0.6263457236	-0.334923
+C	-2.536796032	 0.5986480684	 1.5622544442	 0.455844
+C	-1.1814762216	 0.1403554235	 2.1321213303	-0.344006
+C	-3.8249204361	 0.8053895352	 2.3888473917	-0.046084
+C	-4.6688368815	 0.698802471	 1.0965837593	-0.234195
+C	-3.6051897435	-0.4238337143	 1.1060833075	-0.011534
+O	-3.9186042743	-0.6698220755	 2.5362770764	-0.3221
+H	 0.431559148	-0.6787501028	 0.1213048747	 0.282177
+H	 0.3866018233	 1.4473927122	 1.1412194937	 0.061555
+H	-1.7978782997	 2.6118415835	 1.0230981072	 0.102292
+H	-2.1029385893	 1.6170825226	-0.4255849551	 0.114656
+H	-0.9391746126	 0.629285112	 3.081109932	 0.098972
+H	-1.0201654618	-0.935116329	 2.2364895616	 0.105623
+H	-3.9894279751	 1.4108061205	 3.2818256205	 0.086826
+H	-5.6948553335	 0.3609103578	 1.2456603252	 0.106249
+H	-4.5814281395	 1.4921603093	 0.3505068858	 0.100672
+H	-3.497758736	-1.2921571674	 0.455404241	 0.096627
+19
+0 3854	4.2759971	1.1058472	1.0525899	2.8749	76.19	-0.21635	0.06384	0.28019	1215.2923	0.15625	-422.486183	-422.477983	-422.477039	-422.519315	31.009
+C	 0.1224464641	 0.5501317577	-0.0271539383	-0.39836
+C	 0.8407215595	-0.7326646368	-0.3867728913	 0.163723
+C	 1.3734818294	-1.6246699035	 0.7633853645	-0.40061
+C	 2.7253141373	-1.3785457332	 0.108455981	 0.479862
+O	 2.193518412	-0.4910362127	-0.8689766672	-0.325797
+C	 4.0360175619	-1.2085477919	 0.808051857	-0.247776
+C	 5.0918986636	-0.8249597852	-0.2262909354	-0.084485
+O	 4.74025029	-1.9436129103	-1.0843137694	-0.281542
+C	 3.7795405594	-2.3990290463	-0.1375327795	-0.004385
+H	 0.6778091032	 1.1053785501	 0.7349793285	 0.120752
+H	 0.0188734571	 1.1884540616	-0.9100925926	 0.130504
+H	-0.8801496184	 0.3325554268	 0.3575888248	 0.116217
+H	 0.272487219	-1.2954196373	-1.1384691543	 0.082397
+H	 1.2574919357	-1.1875370687	 1.758574631	 0.110552
+H	 1.0227411456	-2.6584194952	 0.7760517562	 0.113854
+H	 4.1426515334	-1.1406394361	 1.8840403049	 0.095894
+H	 4.9642479836	 0.1398363507	-0.7285817103	 0.120904
+H	 6.1206292224	-0.9316322004	 0.133800317	 0.108371
+H	 3.683520631	-3.4702257793	 0.0151061235	 0.099926
+19
+0 3855	4.5758786	1.0047935	0.9608381	2.3687	75.79	-0.23267	0.074	0.30667	1262.1088	0.156765	-422.493411	-422.485316	-422.484371	-422.52611	31.322
+O	 0.6523885491	 0.961833185	 0.4299871657	-0.431702
+C	-0.5638530367	 1.0671719694	 1.1203876405	 0.175063
+C	-1.8869169335	 1.3035648742	 0.3307477192	-0.35158
+C	-2.5549210362	 0.3303405942	 1.3061649045	 0.352722
+C	-1.1943836571	-0.2034159521	 1.7691550672	-0.36311
+C	-3.8348524742	-0.4626275496	 1.2368846755	-0.232498
+C	-4.9429096972	 0.4282714863	 0.6819593017	-0.089678
+O	-4.6467443792	 1.4753680232	 1.6481646236	-0.285029
+C	-3.6587592232	 0.6436118558	 2.2604988392	 0.028156
+H	 0.5481780114	 0.2970604398	-0.2592227055	 0.276137
+H	-0.4110393449	 1.8497065355	 1.8681456918	 0.099989
+H	-2.2838688852	 2.3194625736	 0.2827966212	 0.118955
+H	-1.8178946396	 0.8965984652	-0.6860291221	 0.089242
+H	-1.0331196023	-0.3667671396	 2.8383402738	 0.105271
+H	-0.8981513528	-1.1104807015	 1.2275448113	 0.092723
+H	-3.8754285	-1.5381414516	 1.3520109775	 0.096575
+H	-4.8461740585	 0.7773421539	-0.3530276853	 0.106265
+H	-5.951024837	 0.0327402113	 0.8480519348	 0.109973
+H	-3.5831012928	 0.6518724869	 3.3429327353	 0.102526
+19
+0 3856	5.4529601	0.8864081	0.8769171	4.3259	76.46	-0.27001	0.01479	0.2848	1353.0609	0.156156	-422.581031	-422.572507	-422.571562	-422.614473	32.135
+C	-5.393352474	-0.6907198422	 0.1436655641	-0.410646
+C	-4.0737026105	 0.0623506267	 0.1148454874	 0.05147
+C	-2.973553752	-0.3153240851	 1.1531889378	-0.296566
+C	-1.9258673111	-0.1976361781	 0.0324620054	 0.444455
+C	-3.0504723381	-0.2635350959	-1.0156062301	-0.296566
+C	-0.5784811841	-0.9268804311	-0.0327382312	-0.511784
+C	 0.0090572024	 0.4832183268	-0.0199039388	 0.441024
+O	 1.0801449964	 0.9980007247	-0.0455986496	-0.319838
+O	-1.2147551861	 1.0980267041	 0.0381809997	-0.276458
+H	-5.9593113054	-0.4658642867	 1.054261798	 0.120303
+H	-6.0219826533	-0.4236678527	-0.7128169243	 0.120303
+H	-5.2291360221	-1.7742811956	 0.1119668698	 0.111022
+H	-4.2534400273	 1.141273142	 0.1469838217	 0.091197
+H	-2.8285382187	 0.335412949	 2.0180752949	 0.118715
+H	-3.0745937646	-1.3513387228	 1.4938637365	 0.105367
+H	-2.9659569836	 0.4279364669	-1.8565823521	 0.118715
+H	-3.1771309052	-1.2823008638	-1.397271858	 0.105367
+H	-0.3152429597	-1.5326216705	 0.8368147121	 0.14196
+H	-0.378494833	-1.4900344556	-0.9466321733	 0.14196
+19
+0 3857	5.0860768	0.906205	0.8883404	3.1738	76.32	-0.23542	-0.0222	0.21322	1360.2315	0.154693	-422.552231	-422.543462	-422.542518	-422.586343	32.855
+C	-5.1174995163	-1.1382645912	 0.2338688071	-0.398831
+C	-4.1159198458	-0.007403403	 0.1301380929	 0.159769
+C	-3.1433788492	 0.0093896386	-1.0697219386	-0.374689
+C	-2.0384344035	-0.037417171	 0.0033427096	 0.443337
+C	-0.8922287951	-1.0848568259	-0.0365271038	-0.412317
+C	 0.0963828674	 0.0802827681	-0.1949808335	 0.403935
+O	 1.2449669037	 0.1581381557	-0.5203940494	-0.291695
+C	-0.9948500354	 1.1123796496	 0.127102963	-0.411893
+O	-3.0058528543	-0.1621964877	 1.0551417639	-0.329286
+H	-5.5652984871	-1.1619521619	 1.2322587644	 0.130038
+H	-5.9215633925	-1.0042815303	-0.4981532009	 0.118372
+H	-4.6346684775	-2.1032634853	 0.0507097558	 0.11944
+H	-4.6130458163	 0.9574957133	 0.2981599701	 0.078429
+H	-3.1981651824	-0.8823328778	-1.6986703999	 0.111452
+H	-3.1636272985	 0.8991941619	-1.7010276688	 0.112925
+H	-0.7809096547	-1.5805129145	 0.9345508098	 0.144675
+H	-0.9028514219	-1.8425725407	-0.8245544819	 0.126383
+H	-0.9229811779	 1.4668087814	 1.1614606969	 0.143971
+H	-1.0784485927	 1.9735315807	-0.5411307865	 0.125985
+19
+0 3858	5.3295434	0.8384551	0.8296593	2.13	75.91	-0.24309	-0.02229	0.2208	1354.4453	0.155233	-422.553013	-422.544294	-422.54335	-422.587318	33.084
+O	-5.4355622731	-0.3840353824	 0.2280277917	-0.431991
+C	-4.1430399966	 0.1515083126	 0.1347012632	 0.182813
+C	-3.0614108817	-0.2187679078	 1.1849138445	-0.335776
+C	-2.0127250725	-0.1696288461	 0.0416194381	 0.35568
+C	-3.170335695	-0.3293647628	-0.9754770909	-0.342659
+C	-0.7505488988	-1.0767867424	 0.0528684817	-0.430593
+C	 0.1128563558	 0.1919106602	 0.1381877566	 0.411149
+O	 1.2780126221	 0.393522091	 0.3172064097	-0.287449
+C	-1.1114026887	 1.1046448168	-0.0405271068	-0.411404
+H	-5.3597732483	-1.3431140518	 0.2746973567	 0.276705
+H	-4.2788323721	 1.2359523882	 0.0857539714	 0.098551
+H	-2.9241204568	 0.4370761576	 2.048743763	 0.105697
+H	-3.2071175803	-1.2458543674	 1.5410633419	 0.093062
+H	-3.1230713459	 0.2349365283	-1.9107636094	 0.103311
+H	-3.3464417053	-1.3864499321	-1.2094451143	 0.093526
+H	-0.6450299246	-1.7733099299	 0.890588517	 0.128218
+H	-0.5864465362	-1.6307097585	-0.8786060517	 0.130453
+H	-1.2433595974	 1.8651619384	 0.7351682047	 0.130173
+H	-1.1185155844	 1.6027379182	-1.0165938472	 0.130534
+19
+0 3859	3.9625186	1.1377967	1.0359959	2.2097	77.81	-0.23015	0.01038	0.24053	1209.515	0.156247	-422.547162	-422.53865	-422.537706	-422.580637	32.133
+O	 0.0483881248	 0.1300082692	-0.068375883	-0.431655
+C	-0.5232131857	 0.9160314266	 0.9592416597	 0.137927
+C	-1.9214708381	 1.5225620592	 0.652118807	-0.314906
+C	-2.5817465288	 0.4642303137	 1.5952730372	 0.40545
+C	-1.1553928746	 0.1307165237	 2.1428622146	-0.314907
+O	-3.4884949341	 0.9943648434	 2.5562067008	-0.312924
+C	-4.7263802062	 0.2898884852	 2.5346032999	-0.137114
+C	-4.5573592357	-0.7565436172	 1.470734448	-0.1074
+C	-3.3433871186	-0.6530012308	 0.9435594059	-0.142515
+H	-0.5955033055	-0.5273531412	-0.3512322379	 0.276945
+H	 0.2541797198	 1.633073708	 1.2292199724	 0.09082
+H	-2.048843954	 2.5240142594	 1.0704399667	 0.116265
+H	-2.2260759383	 1.5292105956	-0.3983624677	 0.098035
+H	-1.0026270989	 0.6231995148	 3.1063175172	 0.116265
+H	-0.8761771395	-0.9233473112	 2.2284626925	 0.098035
+H	-4.9280521797	-0.1459493412	 3.5256467027	 0.108239
+H	-5.5509035137	 0.9856748675	 2.3136149965	 0.108239
+H	-5.3291550445	-1.4670312437	 1.2039995349	 0.109042
+H	-2.9289891886	-1.2697023107	 0.1548157525	 0.096158
+19
+0 3860	2.907078	1.1940227	1.0314078	2.7064	76.82	-0.24202	-0.01684	0.22518000000000002	1222.9187	0.155361	-422.551624	-422.542527	-422.541583	-422.58558	33.909
+C	-1.9573024839	-2.7433091332	-0.088124143	-0.499046
+C	-2.677737233	-2.8905604598	 1.2431884316	 0.270988
+O	-3.1200011216	-3.962389838	 1.6065633688	-0.313589
+C	-2.8411822899	-1.6871793806	 2.0903887275	 0.271332
+C	-2.0131547621	-0.4246524672	 1.9896312087	-0.339857
+C	-3.470869761	-0.3137146704	 1.7014901019	-0.142019
+C	-4.2888462903	-0.3164278021	 3.0045535824	 0.161166
+O	-5.6853988318	-0.3341320697	 2.841647527	-0.434075
+C	-3.6344812238	-1.6793073724	 3.403135227	-0.341947
+H	-0.8821440219	-2.6145184864	 0.0804488638	 0.145156
+H	-2.1157284434	-3.6465903251	-0.6781607635	 0.144396
+H	-2.3056119047	-1.8693125304	-0.647849658	 0.131451
+H	-1.6010231335	-0.0059330765	 2.9052378121	 0.118393
+H	-1.3537298027	-0.3468237601	 1.1321046003	 0.123399
+H	-3.8500741715	-0.0034221008	 0.7340817953	 0.101833
+H	-4.0832377364	 0.5279774178	 3.6697734455	 0.093508
+H	-5.9186515626	-1.1122749442	 2.3225176981	 0.281573
+H	-3.0456450219	-1.708704202	 4.3249186925	 0.101476
+H	-4.3769711438	-2.4794899087	 3.4346208621	 0.125862
+19
+0 3861	3.097051	1.1804155	1.0190179	2.2937	76.94	-0.24863	-0.02656	0.22207	1247.3193	0.154222	-422.543842	-422.534532	-422.533588	-422.578228	33.876
+C	 2.1141529585	 0.2411189013	-1.7454131379	-0.410287
+C	 1.421510101	 0.1531683286	-0.3919144748	-0.000128
+C	 2.0348313837	-0.9070926414	 0.5937371418	-0.322392
+C	 2.4224940064	 0.2362889325	 1.5357103567	 0.332427
+O	 1.2263164575	 0.9661692178	 1.8626340958	-0.279102
+C	 1.8314340874	 1.2473496894	 0.6112745268	-0.046373
+C	 3.611217894	 0.3387629452	 2.422692929	 0.274614
+C	 3.6489723833	 1.499246323	 3.3939927938	-0.485155
+O	 4.4921378499	-0.4908868066	 2.3438551542	-0.306982
+H	 1.9259307821	-0.6607579813	-2.3361350032	 0.126813
+H	 1.7544505255	 1.1011381544	-2.3207819079	 0.118869
+H	 3.1991164049	 0.3437698069	-1.6304222366	 0.123249
+H	 0.336130269	 0.0857793938	-0.5109108152	 0.088598
+H	 1.3535047882	-1.6448491473	 1.0220258949	 0.112039
+H	 2.9111566963	-1.4074998758	 0.1782641791	 0.131917
+H	 2.1303648382	 2.2732828198	 0.4182341094	 0.10861
+H	 2.8660314882	 1.3718423978	 4.1489971516	 0.155708
+H	 4.626544076	 1.5344804167	 3.8758873886	 0.139173
+H	 3.4403238998	 2.4473626353	 2.8887137439	 0.138399
+19
+0 3862	2.7303047	1.343679	1.0953404	2.4259	77.26	-0.23774	-0.02007	0.21767	1178.9169	0.154271	-422.542097	-422.532832	-422.531888	-422.576382	33.88
+C	 1.2721849201	-0.3956327844	-1.3369657958	-0.401234
+C	 1.0386653603	 0.0981073794	 0.0748549829	 0.124021
+O	 2.0338179783	-0.4459797923	 1.002467329	-0.339435
+C	 2.5528326891	 0.8631374882	 1.2434411846	 0.351886
+C	 1.5093355149	 1.763129884	 1.8514846605	-0.337959
+C	 1.4898934084	 1.5298909161	 0.3706033984	-0.162493
+C	 4.0143440842	 1.1123563592	 1.3172557638	 0.290381
+C	 4.905739446	-0.1032757967	 1.1893200351	-0.483036
+O	 4.4385516062	 2.239563493	 1.4675881617	-0.322892
+H	 1.1691674895	-1.4837832159	-1.3789886069	 0.131636
+H	 0.5380380178	 0.0465005512	-2.0195434732	 0.121166
+H	 2.2746829942	-0.1271967951	-1.6836098349	 0.123938
+H	 0.025997764	-0.1509872021	 0.4162788778	 0.086321
+H	 0.7577749448	 1.3084361958	 2.4906412415	 0.120489
+H	 1.8864342861	 2.7314697431	 2.1605674283	 0.147001
+H	 1.6243824314	 2.3163045181	-0.3602259962	 0.116765
+H	 5.9502594678	 0.2003221919	 1.262553706	 0.136975
+H	 4.6649864002	-0.8297062628	 1.9735005553	 0.150227
+H	 4.7199630266	-0.6110799406	 0.2374925219	 0.146243
+19
+0 3863	4.090467	1.0308213	1.0171336	2.144	75.98	-0.24816	0.06266	0.31082	1267.0625	0.155622	-422.494751	-422.486228	-422.485284	-422.528217	31.851
+C	 3.0982605822	-0.7762948017	-1.6467954916	-0.409076
+C	 2.172288685	 0.073424763	-0.7862285458	 0.005165
+C	 1.9847526727	-0.4450407818	 0.6885974631	-0.333271
+C	 2.6488901923	 0.8518592546	 1.1845396296	 0.442252
+O	 1.8624081401	 1.9389608146	 0.6870642035	-0.292112
+C	 2.8199683061	 1.3404440303	-0.1966354433	-0.046027
+C	 3.4584785058	 1.0715759369	 2.4093569327	-0.072844
+C	 3.1541819883	 2.1586851602	 3.3524444673	-0.172464
+O	 4.250073518	 2.2572011269	 2.4410717479	-0.229163
+H	 4.0530517441	-0.9610226778	-1.1410629737	 0.116302
+H	 2.6446733592	-1.7475218936	-1.8694516669	 0.121744
+H	 3.3167774542	-0.2815302126	-2.5993112834	 0.119996
+H	 1.2356813456	 0.283451358	-1.3111950503	 0.084245
+H	 0.9618270758	-0.6043414556	 1.0375036731	 0.108431
+H	 2.5839254234	-1.3387092588	 0.8860207469	 0.105605
+H	 3.5757229929	 1.9921971648	-0.6210078175	 0.111556
+H	 3.9591971056	 0.1784297405	 2.7858296293	 0.092706
+H	 2.3147223143	 2.8142655387	 3.134032955	 0.133097
+H	 3.4254828445	 2.0544797333	 4.402025104	 0.113855
+19
+0 3864	2.678078	1.4657399	1.1619902	1.6251	76.2	-0.2356	0.06845	0.30405	1123.2237	0.155832	-422.493493	-422.485082	-422.484138	-422.526638	31.807
+C	 0.4557619345	-0.2617773987	-0.4263634898	-0.401
+C	 0.8233909385	 0.1198023067	 0.9923601991	 0.125341
+O	 2.167526961	-0.3623836789	 1.3240319513	-0.336216
+C	 2.6502330071	 0.9815124927	 1.3803286019	 0.486312
+C	 1.9910678149	 1.721708276	 2.503835372	-0.363354
+C	 1.2648308136	 1.5686014008	 1.1833621428	-0.180506
+C	 3.9577063448	 1.2802429446	 0.7590822528	-0.059453
+C	 4.8693889869	 0.1978943408	 0.3632726379	-0.174087
+O	 4.1106367255	 0.9082923927	-0.6167031914	-0.235448
+H	 0.3768633049	-1.3491211798	-0.517681634	 0.124532
+H	-0.5080817579	 0.1786650258	-0.7051998904	 0.11211
+H	 1.2261405405	 0.091242631	-1.1178719045	 0.142267
+H	 0.0917717253	-0.2604504533	 1.716504493	 0.077854
+H	 1.6721015683	 1.1666434233	 3.3819120547	 0.116604
+H	 2.3634230825	 2.7229191692	 2.7001425087	 0.117562
+H	 0.9479804861	 2.4080749549	 0.5789102875	 0.104934
+H	 4.3752726911	 2.255233561	 1.0098497503	 0.094671
+H	 5.9434434582	 0.3780241764	 0.3498498456	 0.112978
+H	 4.557457424	-0.8299965152	 0.5311691324	 0.134899
+19
+0 3865	2.9201498	1.2455733	1.0471381	2.4394	75.91	-0.24865	0.07898	0.32763	1192.2052	0.156509	-422.503292	-422.494908	-422.493964	-422.536579	31.963
+O	-1.116599489	-3.5100247041	 0.3341328478	-0.436697
+C	-1.7413415449	-2.354665793	 0.8399705114	 0.161883
+C	-1.6145843202	-1.0827558149	-0.0662358342	-0.351854
+C	-0.8078767743	-0.3892147582	 1.0430101095	 0.390295
+C	-1.6334047582	-0.3270318685	 2.2972218845	-0.34813
+C	-0.9647947542	-1.6272843185	 1.946245438	-0.152005
+C	 0.3901519693	 0.4507450617	 0.8202581912	-0.057835
+C	 0.5759185725	 1.25700162	-0.3945288134	-0.183395
+O	 1.2824165804	 0.0266790288	-0.2223727401	-0.24293
+H	-0.2085971549	-3.2780650374	 0.105710757	 0.282754
+H	-2.7594900671	-2.6615942896	 1.099418795	 0.087781
+H	-1.0068538953	-1.310964084	-0.9453771594	 0.117623
+H	-2.5377696542	-0.5862781798	-0.3832333578	 0.093027
+H	-1.1884195471	 0.2090127779	 3.1306489163	 0.116126
+H	-2.7145312971	-0.2229246048	 2.2312755972	 0.109016
+H	-0.2414512726	-2.0983496344	 2.6026511282	 0.093748
+H	 0.8995354611	 0.7798825373	 1.7279697432	 0.088825
+H	-0.1941236648	 1.2479385806	-1.164691182	 0.115348
+H	 1.1865315607	 2.1583328509	-0.3594644623	 0.116419
+19
+0 3866	4.2751668	1.0157964	0.9810145	1.7492	75.97	-0.24344	0.06695	0.31039	1273.8269	0.156017	-422.503385	-422.494848	-422.493904	-422.536736	32.447
+O	-1.6660702954	 2.3307023404	 3.3406142612	-0.438101
+C	-0.4047268702	 2.8841498784	 3.0405132525	 0.11095
+C	 0.7596927287	 1.8337134424	 2.9046887091	-0.336394
+C	 0.811899881	 2.1563372137	 1.3985410054	 0.445477
+O	 1.0642905771	 3.5702458503	 1.3113531869	-0.291682
+C	-0.2846713599	 3.1363492971	 1.5324135359	-0.065058
+C	 1.2663910241	 1.2908184391	 0.2874878377	-0.138905
+C	 2.6764476335	 1.4333995024	-0.2446726204	-0.263646
+C	 1.5047150444	 1.8742330072	-1.0819024193	-0.266338
+H	-1.6675575861	 2.0731876675	 4.2677741496	 0.287724
+H	-0.1786741862	 3.7605095086	 3.6618813613	 0.076241
+H	 1.6839894953	 2.0154991139	 3.458939729	 0.101212
+H	 0.3799500867	 0.8293146507	 3.1104639914	 0.105891
+H	-1.0496127108	 3.4675445213	 0.8393939221	 0.10635
+H	 0.8661957608	 0.2819435224	 0.3307847685	 0.088966
+H	 3.2949959507	 2.2091283036	 0.1924278936	 0.125821
+H	 3.2083353773	 0.5313093074	-0.5251430339	 0.11133
+H	 1.3497756291	 2.9405799152	-1.1936945771	 0.130143
+H	 1.2262498301	 1.2757502285	-1.9418207436	 0.110019
+19
+0 3867	2.6656516	1.2883911	1.0632591	2.5717	78.32	-0.24197	-0.01944	0.22253	1185.5972	0.154988	-422.549957	-422.540674	-422.53973	-422.583787	34.245
+C	 2.0476761719	 1.795900114	-1.8261675757	-0.501881
+C	 1.1802174581	 0.7097644527	-2.3961806598	 0.301752
+C	 1.0252962815	 0.4550506231	-3.8529656966	-0.376628
+C	 1.5684991363	-0.6859540931	-3.0138972766	 0.223493
+C	 0.4245373403	-1.3644553032	-2.2677551344	-0.341494
+C	 0.0584561788	 0.0146348688	-1.6211897865	 0.064003
+O	-1.2111208873	 0.5697444572	-1.8876317124	-0.434657
+C	 2.9218218024	-1.2175667165	-3.1744514587	 0.053821
+O	 3.274165053	-2.319082331	-2.8172837501	-0.273462
+H	 2.4305088885	 1.5282840452	-0.835600566	 0.125256
+H	 2.9030174527	 2.0133791387	-2.4725516976	 0.123937
+H	 1.4690911933	 2.7214633573	-1.7215821584	 0.137747
+H	 0.041287312	 0.3399384332	-4.2979029741	 0.131744
+H	 1.7526872254	 0.9547056527	-4.4867946199	 0.120262
+H	-0.3552160436	-1.7985155079	-2.9009425121	 0.101275
+H	 0.7674064907	-2.108752333	-1.5473832367	 0.123555
+H	 0.2733270606	 0.0144758911	-0.5438589156	 0.074546
+H	-1.8688829546	 0.0697867888	-1.3934142457	 0.287164
+H	 3.6412983601	-0.5108290683	-3.650839243	 0.059566
+19
+0 3868	2.6960111	1.2708463	1.0555915	4.0977	79.41	-0.2309	-0.01507	0.21583	1202.1314	0.154681	-422.545543	-422.536169	-422.535225	-422.579468	34.465
+C	 1.6879901752	 1.2856203342	 0.1521903319	-0.417998
+C	 1.3929469377	-0.2087890964	 0.0946015354	-0.009665
+C	 1.9893050424	-1.1634478432	 1.185935342	-0.322331
+C	 2.5778376218	-2.0638157172	 0.1059458497	 0.199907
+C	 3.5073095832	-1.2545469527	-0.7927751426	-0.417692
+C	 2.0614872505	-1.0376862557	-1.0013045649	 0.364075
+O	 1.4072673891	-1.2532027541	-2.1902730057	-0.446829
+C	 2.5141605354	-3.519257702	 0.0677011717	 0.055929
+O	 2.0483879404	-4.2128882918	 0.9452394079	-0.279486
+H	 1.2100016737	 1.7416364784	 1.025438705	 0.122751
+H	 2.7631025683	 1.4827798527	 0.2229048711	 0.113282
+H	 1.3094092599	 1.7945369847	-0.740400168	 0.124418
+H	 0.3132260487	-0.3726684476	 0.0262446572	 0.097105
+H	 2.7260322602	-0.7014521064	 1.8517182357	 0.09858
+H	 1.2346445838	-1.6704870094	 1.787798082	 0.131088
+H	 4.1528453763	-0.5038448023	-0.3400547192	 0.122425
+H	 3.996342242	-1.8443560329	-1.5665453125	 0.118045
+H	 2.0500257342	-1.3517199465	-2.8994024627	 0.295041
+H	 2.9120076571	-3.972268582	-0.871347944	 0.051356
+19
+0 3869	2.7638323	1.2934523	1.0495396	3.0149	78.36	-0.25449	-0.03686	0.21763	1205.2969	0.154016	-422.542124	-422.53276	-422.531816	-422.576023	34.223
+C	 2.4292268854	-1.1433556949	-1.1513049782	-0.410775
+C	 1.8809458545	-0.0900700134	-0.1987959262	-0.028415
+C	 2.7183696109	 1.2211404212	 0.0286061	-0.325932
+C	 2.7951258242	 0.8750631327	 1.5128042473	 0.254787
+O	 3.3847514683	-0.43520916	 1.6312525861	-0.3073
+C	 2.0008730039	-0.3855996894	 1.3157948244	 0.325673
+C	 1.0387960495	-1.1272862641	 2.1877268999	-0.500294
+C	 2.8338139745	 1.7574585698	 2.6892508126	 0.061747
+O	 2.7223133144	 2.9590535525	 2.628862537	-0.262623
+H	 3.4458329738	-1.4252207462	-0.8629496148	 0.134808
+H	 1.8088852404	-2.0462753863	-1.1494816896	 0.115648
+H	 2.4578007705	-0.7623365199	-2.1772749449	 0.120494
+H	 0.845862393	 0.1631440967	-0.4494035562	 0.082484
+H	 3.6863230507	 1.271731111	-0.4753661676	 0.114127
+H	 2.1548975515	 2.135585381	-0.1615943166	 0.129526
+H	 1.3198678697	-1.0464241545	 3.2402333071	 0.139788
+H	 0.0229114483	-0.7414471747	 2.0602473245	 0.134337
+H	 1.0303642086	-2.1902490751	 1.9199916986	 0.139002
+H	 2.9599536679	 1.2189690235	 3.6533660664	 0.082918
+19
+0 3870	2.9168921	1.3230932	1.0999154	3.0077	78.01	-0.24232	-0.03235	0.20997000000000002	1165.2026	0.154144	-422.535728	-422.526419	-422.525474	-422.569458	34.152
+C	 2.6563803852	-1.0995037286	-0.9928236683	-0.4127
+C	 1.977969269	-0.1512778391	-0.0274929843	 0.098549
+O	 2.7181754215	 1.0912076582	 0.1873959207	-0.342249
+C	 2.6144509583	 0.9365238717	 1.5989391545	 0.320372
+C	 3.3184033833	-0.3132971093	 2.0593463855	-0.381907
+C	 1.9404484208	-0.4471703157	 1.481430219	 0.202139
+C	 0.7712310802	-1.0028473591	 2.2373741398	-0.497167
+C	 2.2246196324	 2.0607818705	 2.4554954645	 0.064902
+O	 2.0980749928	 1.9758239627	 3.6574443668	-0.280295
+H	 2.0469324291	-1.9996453219	-1.1259987281	 0.123215
+H	 2.7732320711	-0.6206327369	-1.9699160128	 0.134489
+H	 3.6460293196	-1.3967818333	-0.6368668347	 0.125409
+H	 0.9700048761	 0.1015146035	-0.3830429267	 0.086941
+H	 4.2037323346	-0.6169424838	 1.5091078188	 0.122978
+H	 3.3679408559	-0.4255628164	 3.1373620631	 0.144732
+H	 0.8012771441	-0.6763368524	 3.2812658813	 0.151007
+H	-0.1778863632	-0.6666831942	 1.8067390323	 0.123539
+H	 0.7782240087	-2.0991141144	 2.2273517195	 0.128243
+H	 2.0214450207	 3.0027944884	 1.9017482291	 0.087804
+19
+0 3871	3.3875086	1.2465604	1.1171855	2.626	75.46	-0.25551	-0.03824	0.21727000000000002	1150.0712	0.15649	-422.553533	-422.545186	-422.544241	-422.586697	31.484
+C	 2.465593796	-0.2473389338	-1.6883830534	-0.412801
+C	 1.9172686753	-0.0496635735	-0.2779713867	 0.031406
+C	 2.8153383415	-0.6562313252	 0.8546962734	-0.279127
+C	 3.121116082	 0.6609638396	 1.5970344825	 0.331746
+C	 1.7211946171	 1.3335056015	 1.7223352526	-0.272849
+C	 1.9833179962	 1.4207299232	 0.2059247573	 0.066745
+O	 3.4095388928	 1.5881401921	 0.5032360123	-0.333623
+C	 4.1025692889	 0.6965471419	 2.7282701524	 0.053935
+O	 4.2433598344	-0.2034305913	 3.5172250535	-0.251646
+H	 2.5338098044	-1.3105942287	-1.9397288597	 0.117031
+H	 1.8235241867	 0.2316183432	-2.4358441376	 0.110994
+H	 3.4668493654	 0.1864793527	-1.768009658	 0.133053
+H	 0.8905167049	-0.425923247	-0.218281039	 0.073975
+H	 2.3082773229	-1.3858261036	 1.4883042255	 0.117046
+H	 3.7297986617	-1.1085044597	 0.4645650188	 0.113689
+H	 0.8875015248	 0.7358200707	 2.0973125019	 0.108682
+H	 1.7769990163	 2.3075813388	 2.2093791007	 0.116529
+H	 1.570282974	 2.2042399209	-0.4301717154	 0.082304
+H	 4.6792692345	 1.6450399781	 2.799186019	 0.092909
+19
+0 3872	3.7015956	1.2198281	1.1145689	2.8841	75.86	-0.24982	-0.03371	0.21611	1141.6303	0.156285	-422.553016	-422.544619	-422.543675	-422.586999	31.504
+C	-0.042591846	 0.096055473	 0.2286509649	-0.413498
+C	 1.446850904	 0.0132466242	-0.0573111797	 0.155628
+O	 2.1566748755	-0.6380829762	 1.0359472675	-0.345882
+C	 3.1788373963	 0.3185383105	 1.3426549614	 0.366487
+C	 2.405867507	 1.6706067228	 1.3893354867	-0.2713
+C	 2.2404467114	 1.3341340371	-0.1251968978	-0.094671
+C	 3.6944627318	 0.7718380071	-0.0515904923	-0.270237
+C	 4.0646144229	-0.1545337696	 2.4540072035	 0.058861
+O	 5.0586769046	 0.4342361875	 2.7982655764	-0.260233
+H	-0.2590590558	 0.7235939545	 1.0971311824	 0.121052
+H	-0.5708777452	 0.5075554057	-0.6380762483	 0.116174
+H	-0.4413479912	-0.9033232919	 0.4257031393	 0.131429
+H	 1.6061327277	-0.577361456	-0.9695539321	 0.077945
+H	 1.5238299055	 1.7099794688	 2.0304699881	 0.106983
+H	 3.0625758181	 2.5218835931	 1.5675419568	 0.122419
+H	 1.9278983609	 2.0710200245	-0.864143948	 0.078441
+H	 3.9809959515	-0.0212397643	-0.7463665081	 0.105011
+H	 4.4616641651	 1.5428739156	 0.0129678169	 0.122279
+H	 3.7290588457	-1.0918907764	 2.9480787523	 0.093112
+19
+0 3873	3.2032692	1.2451256	1.0850178	2.5742	75.46	-0.25095	-0.03037	0.22058	1147.4601	0.157464	-422.563961	-422.555779	-422.554834	-422.596777	31.453
+O	-0.5910948427	 1.4089191117	-0.0002177654	-0.445128
+C	-1.4248318746	 1.1431695964	 1.1087895572	 0.15984
+C	-0.9687004986	-0.0445106756	 2.0247265607	-0.305834
+C	-2.2433691959	-0.9033247965	 1.9718026505	 0.258876
+C	-3.3666210112	 0.1786649572	 2.1408533672	-0.273778
+C	-2.8456396236	 0.6509827942	 0.7548409831	-0.051427
+C	-2.6144108649	-0.8570252873	 0.4503686861	-0.28529
+C	-2.2945369503	-2.1885687497	 2.728532952	 0.049257
+O	-1.3868111452	-2.6409852137	 3.3818147399	-0.247264
+H	-0.4814772718	 0.5947443367	-0.5025149207	 0.277231
+H	-1.4644546735	 2.0885449524	 1.6569796769	 0.090493
+H	-0.0984095733	-0.5567873429	 1.6049552221	 0.108202
+H	-0.7142117621	 0.2619242488	 3.0417418325	 0.114362
+H	-4.3733944038	-0.2432559862	 2.0959545396	 0.106781
+H	-3.2771644128	 0.8593489885	 2.992334377	 0.105264
+H	-3.433599153	 1.2915029128	 0.098045832	 0.072973
+H	-3.5417710723	-1.3879859424	 0.2241765083	 0.109388
+H	-1.8393523257	-1.1520542646	-0.2648357225	 0.089492
+H	-3.2670217048	-2.7299473398	 2.6489939635	 0.066563
+19
+0 3874	2.7081614	1.3574158	1.0049159	0.8042	78.59	-0.23754	0.00744	0.24498	1205.8482	0.155782	-422.554671	-422.545693	-422.544749	-422.588477	33.56
+C	 1.3782935477	 0.6699834722	-0.3136651443	-0.511259
+C	-0.0205376517	 0.2008445917	-0.074643447	 0.279111
+C	-1.158369799	 0.8794058006	-0.2398307473	-0.180781
+C	-2.3835557843	 0.1117957281	 0.1836421014	 0.062531
+O	-3.3560419627	 0.1543967407	-0.8572045038	-0.434518
+C	-1.8340002409	-1.3115666142	 0.4683821843	-0.343807
+C	-0.315171043	-1.1573760261	 0.4799092893	 0.351286
+C	 0.6235004971	-2.2872134432	 0.4714288576	-0.248775
+O	 0.4038141232	-1.5435499347	 1.6715308913	-0.27943
+H	 1.9897315762	 0.5061001998	 0.5810094027	 0.144876
+H	 1.8515079175	 0.1134958058	-1.1319881864	 0.129397
+H	 1.4073741372	 1.7323782858	-0.5665287246	 0.126827
+H	-1.2357395838	 1.8950978836	-0.6117531514	 0.099478
+H	-2.8093207493	 0.5604593771	 1.0959514793	 0.075904
+H	-4.1777393801	-0.2039540739	-0.5071886926	 0.282715
+H	-2.1879002528	-1.74601943	 1.4065354239	 0.111608
+H	-2.1481523814	-1.9580479993	-0.356932339	 0.11563
+H	 0.2273347512	-3.3029953063	 0.4707919666	 0.110378
+H	 1.6135520589	-2.1823367575	 0.0289672601	 0.108829
+19
+0 3875	2.2571989	1.6776806	1.2271714	1.5797	75.47	-0.25298	0.05071	0.30368999999999996	1089.5223	0.155282	-422.501628	-422.492953	-422.492009	-422.534936	32.516
+C	 3.1341907149	 1.1889880784	-0.4355101761	-0.387394
+C	 1.957562619	 0.2382636884	-0.2354050428	-0.116185
+C	 1.9907588561	-1.0620364534	-1.1145832107	-0.359277
+C	 2.416333704	-1.8515343385	 0.1317561063	 0.393856
+C	 3.4807228846	-2.8381634228	 0.3184984874	-0.263909
+O	 2.092550556	-3.1934857415	 0.4324289734	-0.277563
+C	 2.0886981229	-0.6656698961	 1.0072722942	 0.389693
+C	 1.3569808275	-0.654561426	 2.2729912585	-0.266943
+O	 2.7577795665	-0.3346205238	 2.2086770338	-0.279457
+H	 3.1660572128	 1.9400124203	 0.359291989	 0.129019
+H	 4.0871341313	 0.6496368105	-0.416541263	 0.12059
+H	 3.0573023548	 1.7070085918	-1.3967365095	 0.115246
+H	 1.0125243482	 0.7855759832	-0.2883631845	 0.081022
+H	 1.0041610362	-1.3645461186	-1.4736991266	 0.119428
+H	 2.6925596655	-1.0572139154	-1.9517830574	 0.109841
+H	 3.9957026755	-3.2464312137	-0.549998851	 0.11718
+H	 4.0404965129	-2.8448036894	 1.2518765808	 0.128966
+H	 0.6991909704	 0.180842267	 2.5091973761	 0.116736
+H	 1.118875891	-1.5997379503	 2.7574027423	 0.129149
+19
+0 3876	2.3123988	1.6856556	1.2087798	1.5118	75.91	-0.23178	0.07756	0.30934	1097.5851	0.154878	-422.497437	-422.488724	-422.48778	-422.530768	32.845
+C	 0.2941983274	 0.114534912	-0.4091349363	-0.396555
+C	 1.0566772036	-0.239809157	 0.8504556188	 0.059718
+O	 2.4948342592	-0.3574981162	 0.6337197697	-0.342619
+C	 2.7740837185	 0.7121234837	 1.5407082366	 0.396943
+C	 3.9816655707	 0.7476011637	 2.4172528545	-0.344255
+C	 3.8120471109	 1.7529169915	 1.2861431068	-0.327138
+C	 1.3131405676	 0.8903383144	 1.8527632826	 0.276635
+C	 0.5960678159	 1.3235672204	 3.0462839771	-0.265726
+O	 0.6367441517	 2.1305490211	 1.8540275495	-0.261733
+H	 0.4100702329	-0.6791826316	-1.1530028337	 0.126549
+H	-0.7721088475	 0.2281395926	-0.1880045432	 0.122195
+H	 0.6599291178	 1.0526106395	-0.8342290636	 0.132822
+H	 0.669448955	-1.1610422015	 1.3043491031	 0.085931
+H	 3.8738285312	 1.086060352	 3.4429570069	 0.114751
+H	 4.7095462597	-0.0437138867	 2.2736516985	 0.128134
+H	 3.5625142212	 2.7803068238	 1.529765611	 0.1277
+H	 4.4324353174	 1.6231934786	 0.4061592182	 0.127093
+H	-0.3751399511	 0.8907827905	 3.283785903	 0.119812
+H	 1.1461486979	 1.7232068791	 3.8971668804	 0.119744
+19
+0 3877	2.5744085	1.5520179	1.1606373	2.2081	75.7	-0.2548	0.05985	0.31465000000000004	1102.886	0.155931	-422.505707	-422.497189	-422.496245	-422.538815	32.727
+O	 0.3177692584	 0.0159297966	 1.0513762552	-0.444309
+C	-1.0532203311	 0.272904891	 1.1323471312	 0.093351
+C	-2.0450302341	-0.4712289137	 0.1697470338	-0.373886
+C	-2.6761174218	 0.8920560791	-0.1690416112	 0.305895
+C	-3.4208774755	 1.3306409013	-1.3923536911	-0.319052
+C	-4.1255498666	 1.2842162916	-0.0593656135	-0.323483
+C	-1.5199335513	 1.5949746081	 0.4979877746	 0.303592
+C	-1.2020576515	 2.9782505897	 0.8322443655	-0.26729
+O	-0.5458454162	 2.3164836635	-0.2675263983	-0.282676
+H	 0.6624723666	 0.6199782559	 0.3785621713	 0.291597
+H	-1.3645301045	 0.1744733155	 2.1779921456	 0.090318
+H	-1.5110665552	-0.9149812978	-0.6754448817	 0.110253
+H	-2.6935337402	-1.2226917804	 0.6261213606	 0.102547
+H	-3.1665827289	 2.2989976641	-1.8108512357	 0.122579
+H	-3.6669839917	 0.5743194608	-2.1303191233	 0.118766
+H	-4.3671220212	 2.2224467738	 0.4299074684	 0.113544
+H	-4.847475348	 0.4920022435	 0.1111642006	 0.116899
+H	-1.8778367778	 3.7819915507	 0.5420600116	 0.117592
+H	-0.5680012892	 3.1930707668	 1.6915081565	 0.123761
+19
+0 3878	2.4504502	1.5611457	1.1483695	0.8765	75.63	-0.25747	0.06144	0.31890999999999997	1109.4111	0.155811	-422.507172	-422.498609	-422.497665	-422.54028	32.889
+O	 0.2959164898	 0.1337350299	 0.0399347071	-0.433004
+C	-0.8253213646	-0.0965356823	 0.8536290403	 0.067198
+C	-0.9511354105	 0.6852885104	 2.2040126537	-0.380718
+C	-2.4052707021	 0.9998029519	 1.8342459285	 0.403462
+C	-3.6083275959	 0.9694116592	 2.6660442479	-0.270434
+O	-3.0796889923	 2.2049377575	 2.1539117456	-0.273922
+C	-2.1836451878	 0.4960084538	 0.4256493728	 0.237907
+C	-2.4092771771	 1.3148616396	-0.8174107084	-0.319016
+C	-3.1669731104	 0.0288012012	-0.6013920886	-0.342961
+H	 0.3457682224	 1.081386092	-0.1286782565	 0.279942
+H	-0.8656415378	-1.179832386	 0.9976556598	 0.095492
+H	-0.7685845974	 0.1294243387	 3.1260415663	 0.111629
+H	-0.3324923384	 1.5885540924	 2.2025679941	 0.11165
+H	-4.5598168456	 0.6569372154	 2.2373013513	 0.114034
+H	-3.5196948298	 0.8367495442	 3.7439165729	 0.115368
+H	-2.9413128482	 2.2523534609	-0.6985010547	 0.131086
+H	-1.6224103076	 1.3169471032	-1.5651725714	 0.116447
+H	-4.2239855458	 0.0928403763	-0.3617251948	 0.115136
+H	-2.8942008207	-0.8311515582	-1.204967016	 0.120705
+19
+0 3879	1.9430426	1.6413442	1.0708211	3.3876	76.08	-0.25068	-0.02376	0.22692	1180.9035	0.154643	-422.533286	-422.524141	-422.523197	-422.568037	33.029
+C	 1.0407441955	 1.1690799708	-0.232477983	-0.407912
+C	 0.9077756961	-0.3127479945	 0.0959895064	 0.021327
+C	 1.5279768448	-1.2875663725	-0.9606265305	-0.335591
+C	 2.6618907831	-1.5719055529	 0.021783083	 0.457896
+C	 4.1042441404	-1.6670182017	-0.2039449227	-0.262702
+O	 3.3240732791	-2.8136397498	 0.1692158881	-0.266717
+C	 1.9116938515	-0.8424604083	 1.1617217025	-0.229693
+C	 1.3395938228	-1.8006341839	 2.1821928476	 0.157708
+O	 0.1749448364	-2.0964370304	 2.2703032188	-0.242841
+H	 0.7404365588	 1.790898332	 0.6176545087	 0.12077
+H	 2.073166152	 1.4325499159	-0.4910291806	 0.112082
+H	 0.4071944558	 1.4386138198	-1.0840343932	 0.120872
+H	-0.1216977207	-0.5612474255	 0.3594764863	 0.103691
+H	 0.913017008	-2.1736211911	-1.1386906775	 0.126792
+H	 1.8131243246	-0.8514317697	-1.9217081498	 0.105755
+H	 4.4903516862	-1.6808867428	-1.2223956347	 0.120967
+H	 4.8000400566	-1.3086831696	 0.5541621664	 0.116766
+H	 2.5135329894	-0.0938308774	 1.6915785837	 0.091386
+H	 2.0954118395	-2.2446344185	 2.8657512606	 0.089443
+19
+0 3880	1.9857511	1.6359746	1.0537602	2.5484	76.63	-0.23459	-0.03087	0.20371999999999998	1191.6445	0.154304	-422.530946	-422.521728	-422.520784	-422.565678	33.378
+C	 0.8886233006	-0.4381265747	-0.943641722	-0.411441
+C	 1.0242560265	 0.1037556954	 0.4628934804	 0.146717
+O	 1.6908455607	 1.4009054926	 0.4958340749	-0.321338
+C	 2.7065523804	 0.904515454	 1.3570823172	 0.464388
+C	 4.124133557	 1.3534631668	 1.2470778669	-0.334177
+C	 3.2811742336	 1.7356179108	 2.4590000614	-0.339601
+C	 2.1043466168	-0.5104672171	 1.3776636033	-0.267562
+C	 1.6651596266	-1.0123907557	 2.7292318116	 0.148897
+O	 0.5229558422	-1.0637461097	 3.1079750347	-0.239688
+H	 0.4144433666	-1.4255368352	-0.9262886289	 0.122709
+H	 0.2649620204	 0.2288462949	-1.5465955446	 0.132159
+H	 1.8659614508	-0.5251088185	-1.4285202695	 0.119549
+H	 0.051730304	 0.1635465063	 0.9621410034	 0.10625
+H	 4.9170568033	 0.6233520105	 1.3758538665	 0.11471
+H	 4.332869417	 2.1295811556	 0.5185259835	 0.129771
+H	 3.5070388289	 1.2766620641	 3.4158808637	 0.117428
+H	 2.9309187178	 2.7602363506	 2.5207627374	 0.132425
+H	 2.746325554	-1.2616417375	 0.9038882322	 0.099689
+H	 2.4996992427	-1.3375516131	 3.392215538	 0.079113
+19
+0 3881	2.0635313	1.556767	1.0018842	2.7513	76.88	-0.24492	-0.02299	0.22193	1202.715	0.155263	-422.536639	-422.527589	-422.526645	-422.570835	33.436
+O	 0.4447279512	-0.1755232342	-3.5906323747	-0.428057
+C	 0.0333445288	-0.0242263798	-2.2631073568	 0.14577
+C	-1.3284735022	-0.6017208619	-1.7871175704	-0.35037
+C	-0.6463190334	-1.0116221887	-0.4760076532	 0.353023
+C	-1.0590486013	-0.5440059318	 0.8925711663	-0.318345
+C	-1.1066421081	-2.0129326971	 0.5383134548	-0.332539
+C	 0.7348139122	-0.8612160695	-1.1255153675	-0.201634
+C	 1.9108260807	-0.2219953421	-0.4489601888	 0.13588
+O	 1.9831226072	 0.0908025656	 0.7143100586	-0.251502
+H	 0.3108950953	-1.0949983703	-3.8456428238	 0.28079
+H	 0.1053220567	 1.0451902351	-2.0462827789	 0.109467
+H	-2.1735288479	 0.0894201361	-1.7370432418	 0.111315
+H	-1.6156208912	-1.4685950976	-2.3961866531	 0.092982
+H	-0.2822727096	-0.2086319532	 1.566262384	 0.148824
+H	-2.0015771594	-0.0107500235	 0.970749738	 0.107285
+H	-0.3625281731	-2.6647161629	 0.9851210813	 0.116217
+H	-2.0758576947	-2.4781604674	 0.3881273983	 0.110284
+H	 1.0809537629	-1.8077822931	-1.568298677	 0.087054
+H	 2.7624642258	-0.0268326039	-1.1424565451	 0.083555
+19
+0 3882	2.5426817	1.6326794	1.2394017	0.6648	74.32	-0.25673	0.07501	0.33174000000000003	1065.8714	0.156928	-422.534151	-422.526133	-422.525188	-422.566558	31.105
+C	 2.5495328362	 1.1008475846	-0.7944665918	-0.402963
+C	 1.5232096665	 0.0708513741	-0.3048521818	-0.029802
+C	 1.8721136122	-0.5057509902	 1.0979324066	-0.320849
+C	 2.6969206862	-1.7599929808	 0.8175714313	 0.438536
+C	 3.3457560184	-2.588523178	 1.8341520739	-0.256014
+O	 4.1184594663	-1.7061468418	 1.0102598168	-0.281664
+C	 2.2611687622	-2.2556715279	-0.5309653205	-0.046789
+O	 0.8322686137	-2.2866166943	-0.6648553555	-0.270656
+C	 1.5417424851	-1.162136829	-1.1994272694	 0.05706
+H	 2.5389117618	 1.9907514839	-0.1580437272	 0.119543
+H	 3.5624765941	 0.6852600951	-0.7728320969	 0.13599
+H	 2.3361211119	 1.4203253269	-1.8202070618	 0.114416
+H	 0.5264037255	 0.5250330993	-0.2986916606	 0.08123
+H	 2.4346889863	 0.1986158857	 1.7151758086	 0.112908
+H	 0.9603011433	-0.781089564	 1.6336007962	 0.120059
+H	 3.2746367542	-2.3033717694	 2.8832456524	 0.115674
+H	 3.5003003654	-3.6518033785	 1.6540808599	 0.115825
+H	 2.8205916168	-3.0321231236	-1.0448006418	 0.101446
+H	 1.5077346438	-1.0604265823	-2.2817677384	 0.09605
+19
+0 3883	2.5903237	1.664219	1.2409009	2.2053	75.32	-0.23241	0.08704	0.31945	1066.3412	0.156301	-422.526692	-422.518602	-422.517658	-422.559146	31.505
+C	 0.5804615738	 0.008534312	-0.480136294	-0.403312
+C	 0.9779445509	-0.3917060663	 0.9395760346	 0.076928
+O	 2.4005278855	-0.5500665881	 1.071034384	-0.311423
+C	 2.7409032749	-1.9187979138	 1.0172913358	 0.455202
+C	 3.6843980108	-2.4094180268	-0.0533856794	-0.337001
+C	 4.1383788944	-2.2856273556	 1.3912946894	-0.329811
+C	 1.5151102431	-2.6877445146	 1.3843358334	-0.075863
+O	 0.895586812	-2.2179781247	 2.5914264467	-0.25891
+C	 0.4008504687	-1.7387835039	 1.3391560448	 0.029687
+H	 0.8315153786	-0.7806045849	-1.1960585035	 0.121848
+H	-0.4960852495	 0.2017041987	-0.5421855512	 0.115605
+H	 1.1099575226	 0.9187252517	-0.7724865622	 0.130841
+H	 0.6909792125	 0.3930263314	 1.649394466	 0.095089
+H	 3.5399163344	-3.4001036413	-0.4732761988	 0.11078
+H	 4.0469480469	-1.6643039976	-0.7522501655	 0.123326
+H	 4.3003355219	-3.1888492725	 1.9692349678	 0.120263
+H	 4.8017092918	-1.4638545282	 1.6358371793	 0.130051
+H	 1.4285258804	-3.7496524575	 1.1738942263	 0.10497
+H	-0.6210143437	-2.006055788	 1.0832465464	 0.101727
+19
+0 3884	2.5681521	1.5973236	1.2299794	2.0308	74.3	-0.25256	0.06979	0.32235	1064.1912	0.157529	-422.538419	-422.530439	-422.529495	-422.570703	31.465
+O	 0.5619120445	-0.1810762797	 1.084804872	-0.434596
+C	-0.6937154032	 0.4666919875	 0.9190214524	 0.096775
+C	-1.4391955613	 0.7256546713	 2.2522099636	-0.339438
+C	-2.2931989633	-0.5272313083	 2.4763692802	 0.360746
+C	-2.0135565587	-1.5101544575	 3.5936646893	-0.326498
+C	-3.2625667646	-0.6624678658	 3.6155133574	-0.32636
+C	-2.5838202898	-1.0533511157	 1.1019337177	-0.029599
+O	-3.0133822081	-0.0335998392	 0.1843274734	-0.265674
+C	-1.6426661929	-0.4447279607	 0.1488688563	 0.00238
+H	 0.4063777847	-1.0044861314	 1.5614642047	 0.283128
+H	-0.4709720422	 1.395034709	 0.3865408274	 0.093644
+H	-0.7293522248	 0.9180351246	 3.0605722807	 0.105985
+H	-2.0847535991	 1.6020508328	 2.147685065	 0.120522
+H	-2.121029638	-2.5712418805	 3.3896528449	 0.113113
+H	-1.219614166	-1.2699517419	 4.2932612259	 0.116585
+H	-4.2133192835	-1.1494278337	 3.4258700358	 0.118143
+H	-3.3151170673	 0.1507185859	 4.3318550571	 0.117686
+H	-3.0329303089	-2.0334143196	 0.9582723609	 0.094298
+H	-1.3039703774	-0.928914677	-0.7635268346	 0.099162
+19
+0 3885	2.5679556	1.5733996	1.204628	1.3425	74.3	-0.25624	0.07447	0.33071	1072.0567	0.157696	-422.538477	-422.530557	-422.529613	-422.57071	31.362
+O	 0.6784713747	 0.4602121436	 1.022511096	-0.436637
+C	-0.7429758166	 0.4657847758	 0.9394435756	 0.1289
+C	-1.4142268471	 0.4040917674	 2.3303496958	-0.360613
+C	-1.6312929354	 1.8667453033	 2.7236526927	 0.482531
+C	-1.1164150741	 2.4575892665	 3.967324656	-0.272569
+O	-2.5053481318	 2.1451340438	 3.8182750077	-0.290622
+C	-1.7610965685	 2.6556787611	 1.4505014642	-0.119814
+C	-2.7100530202	 2.0897331743	 0.4206906095	-0.309888
+C	-1.2430757169	 1.7709185121	 0.3278121968	-0.06814
+H	 0.9477265769	 1.2633465365	 1.4823614851	 0.277726
+H	-0.9868055085	-0.4088660174	 0.3290277119	 0.089627
+H	-2.3846472353	-0.1008187969	 2.2804843275	 0.119076
+H	-0.792859637	-0.14835019	 3.0378041283	 0.114676
+H	-0.5700759324	 1.8361893527	 4.6768341484	 0.112981
+H	-0.8803886666	 3.521127553	 4.0090389898	 0.111321
+H	-1.5872898636	 3.7249533545	 1.4756825799	 0.088491
+H	-3.4126567555	 1.3177453899	 0.7162339559	 0.121254
+H	-3.1045973309	 2.786179042	-0.3106264542	 0.118088
+H	-0.6683663012	 2.1747080679	-0.4980709169	 0.093611
+19
+0 3886	2.9672417	1.2320515	0.9909046	1.6739	79.3	-0.24176	0.00343	0.24519	1234.51	0.155921	-422.555076	-422.546139	-422.545195	-422.589004	33.456
+C	 1.3572888538	 0.7176037981	-0.4912054123	-0.491267
+C	 0.0452752293	 0.1329023296	-0.0795182079	 0.280068
+C	-0.2505360163	-1.14461215	 0.1787356829	-0.25745
+C	-1.6787398398	-1.3276292793	 0.5423956125	 0.431481
+C	-2.4402822777	-2.5592197761	 0.2737969918	-0.253633
+O	-2.0027015589	-2.250035895	 1.5968397225	-0.279138
+C	-2.2802627308	 0.0772249625	 0.6036165855	-0.349448
+C	-1.193415335	 1.0121043159	 0.0148396749	 0.030461
+O	-1.5326744379	 1.5716868163	-1.255879696	-0.43059
+H	 1.7189986919	 1.4289476233	 0.2623820863	 0.131934
+H	 2.1230928657	-0.0492016809	-0.6323734302	 0.123535
+H	 1.24582848	 1.2831829731	-1.4230047379	 0.139317
+H	 0.4423982205	-1.9784909274	 0.1446366984	 0.101527
+H	-3.515947143	-2.4961408918	 0.1073254543	 0.111703
+H	-1.9515695858	-3.4134356565	-0.1956069501	 0.109221
+H	-3.2164673124	 0.1806779118	 0.0493942136	 0.110277
+H	-2.4858023615	 0.3206646515	 1.6499821603	 0.126197
+H	-1.0242136436	 1.8899926149	 0.6477473882	 0.090136
+H	-1.6143358382	 0.84006663	-1.8787276169	 0.275669
+19
+0 3887	3.1272134	1.295362	1.0231365	4.0663	76.09	-0.2607	0.01434	0.27504	1203.5076	0.156922	-422.594355	-422.585912	-422.584968	-422.627418	32.075
+C	-0.3297826335	 2.3851597231	 0.929045778	-0.406211
+C	-0.8096478271	 1.1938402661	 0.1052578288	-0.131129
+C	-2.2226998238	 0.6647077239	 0.393835333	-0.314962
+C	-2.0885756979	-0.8048498873	 0.0368270077	 0.443296
+C	-3.1010746567	-1.8637127288	 0.3035024157	-0.332919
+C	-2.7693765486	-1.464177825	-1.1268840455	-0.325564
+O	-0.7260931408	-1.1646988557	 0.2613069223	-0.252454
+C	 0.0574462988	-0.0513484247	 0.3109813347	 0.427805
+O	 1.2394960607	-0.1072522836	 0.4896402472	-0.344004
+H	-0.4467861702	 2.1918058425	 2.0003102007	 0.124108
+H	 0.7294008115	 2.571853887	 0.7359097245	 0.144904
+H	-0.8964703482	 3.2873572949	 0.6816819542	 0.116572
+H	-0.7240954561	 1.4346510684	-0.9638346176	 0.114042
+H	-2.4539181503	 0.7784212436	 1.4600579142	 0.114706
+H	-3.0072036925	 1.1636539598	-0.1785809274	 0.114554
+H	-2.7327600417	-2.8224971093	 0.6498864938	 0.135654
+H	-4.0560517324	-1.5631022871	 0.721708343	 0.120715
+H	-2.1819134054	-2.1629098949	-1.7114141656	 0.132877
+H	-3.499102676	-0.8923190628	-1.6904225219	 0.118009
+19
+0 3888	2.7814141	1.3716048	1.1205459	3.0071	75.11	-0.23926	-0.02103	0.21823	1140.4428	0.156057	-422.57324	-422.564622	-422.563678	-422.606803	32.386
+C	-0.16704787	 2.1028759287	-0.9521523408	-0.399687
+C	-0.9372534473	 1.4476678442	 0.2094849402	-0.093463
+C	-2.3290276193	 0.9208843091	-0.2005547926	-0.309443
+C	-2.0735189172	-0.5226858716	-0.6223106541	 0.42502
+C	-3.0317320914	-1.3484674651	-1.355708444	-0.257023
+O	-1.9132264455	-0.7592834707	-2.0295963275	-0.271934
+C	-0.9764734209	-1.0576384858	 0.2773758688	-0.403798
+C	-0.1764385378	 0.1913176785	 0.6752676628	 0.403239
+O	 0.8818141981	 0.1938030877	 1.2474244	-0.31947
+H	 0.855527919	 2.3366859191	-0.6446664884	 0.137016
+H	-0.1255035796	 1.4386827821	-1.8211684008	 0.141636
+H	-0.6603146148	 3.0294666228	-1.2608120743	 0.118841
+H	-0.9846400267	 2.1526868801	 1.0447648841	 0.09656
+H	-3.0133795667	 0.9359082387	 0.656120719	 0.107159
+H	-2.7890819238	 1.4913183814	-1.0109761035	 0.116131
+H	-2.9997243745	-2.4332348608	-1.2591183368	 0.114958
+H	-4.0060412456	-0.9385467576	-1.6213052459	 0.113523
+H	-1.3895088022	-1.4997715805	 1.1935280273	 0.135748
+H	-0.3470362039	-1.8095252703	-0.2029120235	 0.144986
+19
+0 3889	2.8419758	1.3862801	1.1164196	1.7314	75.57	-0.2423	-0.02443	0.21786999999999998	1143.8542	0.155656	-422.566806	-422.558171	-422.557226	-422.600229	32.73
+C	-0.7539849935	 1.9454515663	-1.3174376264	-0.399318
+C	-0.6892557144	 1.202566478	 0.0188884044	 0.013739
+O	-1.956422276	 0.7170225323	 0.4539686485	-0.301058
+C	-2.0559887288	-0.6607139351	 0.1333217022	 0.439141
+C	-3.0294700615	-1.0738414343	-0.9421204029	-0.322467
+C	-3.3212011899	-1.3359805919	 0.5282957178	-0.338219
+C	-0.6655370771	-1.2459870433	 0.2537632621	-0.419987
+C	 0.2146336179	-0.0369597427	-0.0676848357	 0.377535
+O	 1.3823732711	-0.0333505032	-0.3517532959	-0.309436
+H	-1.1392930852	 1.2955775	-2.1086429295	 0.125213
+H	-1.4103746721	 2.8150819254	-1.232377156	 0.127344
+H	 0.2483527187	 2.2792400545	-1.6002232905	 0.138362
+H	-0.3051675217	 1.8733297963	 0.7969263951	 0.108672
+H	-3.5966340892	-0.2848286051	-1.4224708083	 0.123572
+H	-2.7796936542	-1.9162520842	-1.5791772525	 0.113728
+H	-4.0741320828	-0.7161507628	 1.0022452334	 0.129234
+H	-3.2712373995	-2.35501754	 0.8966811558	 0.117964
+H	-0.448057078	-1.5617643928	 1.2826725006	 0.139149
+H	-0.4510042338	-2.0833271775	-0.4122440221	 0.136834
+19
+0 3890	3.1933221	1.2262914	0.9887913	2.7195	75.4	-0.25125	-0.02837	0.22287999999999997	1213.9242	0.156739	-422.577766	-422.569361	-422.568417	-422.6108	32.436
+O	-0.4281577611	 2.4955201829	-0.0486100542	-0.445236
+C	-1.0819306542	 1.2644188882	 0.059841939	 0.067384
+C	-1.8671381971	 0.8040720678	-1.1763247332	-0.324412
+C	-2.0264827702	-0.698010749	-0.9263380855	 0.368475
+C	-2.8295394688	-1.5740645213	-1.8426572724	-0.32793
+C	-3.3564938089	-1.2470183981	-0.4651316859	-0.308026
+C	-0.7258914871	-1.1729463452	-0.2749246139	-0.41255
+C	-0.1043188447	 0.107994627	 0.2746059732	 0.370281
+O	 1.0056200544	 0.2627444617	 0.7216474408	-0.330154
+H	 0.4504222167	 2.3584332385	 0.3374425538	 0.290775
+H	-1.7702910526	 1.2532843462	 0.9272111443	 0.094817
+H	-2.822245954	 1.3200631991	-1.2985277573	 0.109769
+H	-1.260690783	 0.9962726119	-2.0706103911	 0.112457
+H	-3.3108996074	-1.1110540168	-2.6979960015	 0.116105
+H	-2.4739810988	-2.582888598	-2.0260177445	 0.114677
+H	-4.194957728	-0.5623905652	-0.3887015928	 0.116386
+H	-3.355554083	-2.0354816521	 0.2806199645	 0.113226
+H	-0.8630610898	-1.9176354487	 0.5154670863	 0.13444
+H	-0.0219769523	-1.6033785189	-0.9982214098	 0.139516
+19
+0 3891	2.4625635	1.7001313	1.2593218	3.0122	76.1	-0.24613	0.01443	0.26056	1047.5325	0.157966	-422.557144	-422.549118	-422.548174	-422.589373	31.624
+O	 0.3590258302	 0.3331339727	 0.6973565321	-0.441529
+C	 0.1376576452	 1.7300307736	 0.517876048	 0.096842
+C	-1.3653604481	 2.0670033887	 0.514039906	-0.314167
+C	-1.872790418	 2.1001873175	 1.9386479242	 0.410142
+C	-3.1579390246	 1.5052888799	 2.3145797951	-0.252163
+O	-1.9386566031	 0.7968712919	 2.5682433281	-0.286038
+C	-1.2144916035	 3.166064749	 2.7901566926	-0.321625
+C	 0.2779658546	 3.1827553934	 2.5628071992	-0.050493
+C	 0.8773092253	 2.5420902667	 1.559404603	-0.080522
+H	-0.125498512	 0.0752339817	 1.4919888102	 0.294063
+H	 0.5555834298	 1.9502177983	-0.4713173172	 0.083458
+H	-1.5254532682	 3.0477013353	 0.049497864	 0.103687
+H	-1.8982298922	 1.3162993971	-0.075912088	 0.109297
+H	-3.6776327812	 1.8556733456	 3.2057664201	 0.11367
+H	-3.7989270634	 1.0748586368	 1.5460015623	 0.116482
+H	-1.6458026824	 4.1521353027	 2.5609338556	 0.113945
+H	-1.4349601848	 2.9700192903	 3.8455722683	 0.118533
+H	 0.8709021939	 3.7454500489	 3.2799992307	 0.092502
+H	 1.9604552129	 2.55512312	 1.4733644355	 0.093916
+19
+0 3892	3.6787937	0.8919009	0.8188208	3.1958	78.35	-0.2556	-0.03717	0.21842999999999999	1362.1228	0.154273	-422.534999	-422.525839	-422.524895	-422.569763	33.324
+C	 2.5246062932	-2.1786512791	-0.2506584658	-0.406202
+C	 2.0281679071	-1.1299174325	 0.7323199495	 0.045724
+C	 2.706245877	-1.0753029998	 2.1412023194	-0.321876
+C	 2.8498655502	 0.4379435784	 1.9630823883	 0.427324
+C	 2.4506613846	 0.355474207	 0.485764358	-0.32584
+O	 2.2622259733	 1.3602852704	 2.8539519025	-0.271411
+C	 3.694378523	 1.396890489	 2.7101623346	-0.15714
+C	 4.2306785098	 2.6002524132	 2.0140522456	 0.153251
+O	 5.3572754203	 3.0067208685	 2.1471616618	-0.251814
+H	 2.2783266584	-3.1900328872	 0.0903569032	 0.120302
+H	 2.0733976149	-2.0409737541	-1.2392533147	 0.120417
+H	 3.6129082159	-2.1224301572	-0.3698873942	 0.115533
+H	 0.941698758	-1.2007114619	 0.8389138444	 0.0855
+H	 2.1075766836	-1.3885005209	 2.9993987933	 0.1208
+H	 3.6697971318	-1.5938915317	 2.1685276745	 0.112152
+H	 1.6689357365	 1.051417013	 0.1733016899	 0.119849
+H	 3.3020759909	 0.4456778476	-0.1962172331	 0.113532
+H	 4.271419255	 1.0434960651	 3.5634992393	 0.113566
+H	 3.4913254067	 3.0942881123	 1.3452598736	 0.086331
+19
+0 3893	2.8686699	1.0946146	0.9187705	4.1428	78.27	-0.23435	-0.0137	0.22065	1325.5894	0.154706	-422.535939	-422.526846	-422.525902	-422.57052	33.202
+C	 1.9587302585	 1.3847468929	-0.4563145801	-0.398476
+C	 1.4986408672	 0.023270331	 0.0192032938	 0.156804
+C	 2.2421916714	-0.6213790299	 1.2165127351	-0.381948
+C	 2.6242932135	-1.6903292692	 0.2032920801	 0.450407
+C	 2.6997088414	-3.1591082475	 0.3160945958	-0.376182
+C	 3.9765020838	-2.3538696128	 0.0029010352	-0.189818
+C	 4.5354928505	-2.4414056259	-1.3638418468	 0.173164
+O	 5.7102458318	-2.3467880351	-1.6265123426	-0.274842
+O	 1.9397816669	-1.0502524732	-0.8655504532	-0.316643
+H	 1.6354086026	 2.1612604266	 0.2456536057	 0.119678
+H	 3.0491139799	 1.4207825929	-0.540335612	 0.128148
+H	 1.5301090835	 1.610692566	-1.4374373546	 0.132722
+H	 0.4065784333	-0.00519545	 0.1154752636	 0.085938
+H	 3.0739439345	-0.032075163	 1.608387666	 0.120391
+H	 1.6114372081	-0.9595668325	 2.0404791309	 0.118403
+H	 2.6350958357	-3.6295033823	 1.291180254	 0.129656
+H	 2.2836663645	-3.7367962097	-0.5041076191	 0.135504
+H	 4.7133621058	-2.2352767266	 0.790888274	 0.106262
+H	 3.7757928671	-2.6020880814	-2.1605781258	 0.080832
+19
+0 3894	3.4240498	0.9139654	0.8267398	3.7357	78.05	-0.24676	-0.02087	0.22589	1412.3747	0.155411	-422.540813	-422.531858	-422.530914	-422.574853	33.394
+O	 1.2688571793	-0.3796079889	-5.4695087241	-0.430178
+C	 1.0797460057	-0.2123183791	-4.0915874382	 0.180336
+C	-0.2094698639	-0.7610221962	-3.4119301148	-0.342598
+C	 0.6688458487	-1.1723838682	-2.222848281	 0.343052
+C	 0.3610103289	-2.1135924615	-1.1228149643	-0.372339
+C	 0.4686977907	-0.6172468894	-0.8178212347	-0.153399
+C	 1.6308504245	-0.1566878492	-0.0300813637	 0.164124
+O	 1.6216059617	 0.7792359315	 0.7317600839	-0.268807
+C	 1.9364801795	-1.0347340777	-3.0839791055	-0.35062
+H	 1.1820453265	-1.3168663532	-5.674439436	 0.277733
+H	 1.1884343412	 0.8595290458	-3.9062887812	 0.105994
+H	-1.0310827332	-0.0631732256	-3.2338106417	 0.11307
+H	-0.5970470109	-1.6359127585	-3.948511221	 0.09815
+H	-0.6290114133	-2.5531227476	-1.0629592399	 0.127723
+H	 1.1598076953	-2.7480402529	-0.7484652964	 0.123683
+H	-0.448946005	-0.0698958153	-0.627756607	 0.10589
+H	 2.5560695085	-0.7612241611	-0.1852265406	 0.064369
+H	 2.8211599837	-0.5555085241	-2.6606197529	 0.115785
+H	 2.2315282921	-1.9994099386	-3.5146474909	 0.098033
+19
+0 3895	4.1558988	1.13049	1.0617013	3.2566	75.48	-0.23562	0.07291	0.30852999999999997	1199.5288	0.155893	-422.50186	-422.493675	-422.492731	-422.534937	31.233
+C	 0.1917532238	-0.4066263939	-0.2936246415	-0.396951
+C	 0.9039400399	 0.6579707201	 0.5148914126	 0.161266
+C	 1.5862815013	 0.2432333995	 1.8378309421	-0.387129
+C	 2.8755334684	 0.7536802569	 1.1658652036	 0.455895
+C	 3.7259724563	 1.8828033769	 1.8533053747	-0.340057
+C	 4.9025563431	 0.8996226089	 1.8606659972	 0.03329
+O	 5.173142839	 0.5915325311	 0.4923511352	-0.239214
+C	 4.1250605675	-0.1314892776	 1.1463623978	-0.049369
+O	 2.1859752158	 1.0260092563	-0.0579043824	-0.326879
+H	-0.7555634604	-0.6806165291	 0.1840702914	 0.115373
+H	-0.0270030597	-0.037994168	-1.300594268	 0.130524
+H	 0.8104668647	-1.3048875352	-0.3849976531	 0.11804
+H	 0.2667819056	 1.547061713	 0.6153513745	 0.076622
+H	 1.2699730445	 0.7734105489	 2.737468454	 0.110438
+H	 1.5719903896	-0.8331949425	 2.0294915576	 0.108122
+H	 3.8923447397	 2.7750296945	 1.2465984498	 0.122371
+H	 3.3451274839	 2.1584400888	 2.8399825046	 0.103755
+H	 5.7108969848	 0.7901554899	 2.5731088741	 0.106322
+H	 4.1911927824	-1.2146497084	 1.1467188258	 0.097583
+19
+0 3896	3.6750001	1.2081472	1.1159871	1.7975	74.76	-0.2354	0.054	0.2894	1190.9002	0.156003	-422.500961	-422.492779	-422.491835	-422.533773	31.874
+O	-0.058390367	 0.0849349229	-0.1066324631	-0.434314
+C	-0.5402489728	 0.8983386212	 0.9439160109	 0.139282
+C	-1.9620078378	 1.4989558547	 0.7283142878	-0.329379
+C	-2.5247453139	 0.4060512737	 1.6664008422	 0.447908
+C	-1.0947747786	 0.1332779709	 2.1817775702	-0.326828
+O	-3.5573788874	 0.7860257786	 2.6099761763	-0.327147
+C	-4.4624498324	-0.1504431328	 2.0202962274	 0.094498
+C	-3.9647079523	-1.5500661021	 2.1885058538	-0.30605
+C	-3.4196188967	-0.6810679685	 1.0703028666	-0.208653
+H	-0.6997711379	-0.6133030179	-0.275059291	 0.280665
+H	 0.2568909778	 1.6172777845	 1.1399933078	 0.090874
+H	-2.0707211913	 2.4870285325	 1.1836621037	 0.116587
+H	-2.3303249706	 1.5310435404	-0.3007261081	 0.102565
+H	-0.913227184	 0.6730451405	 3.1153630515	 0.118533
+H	-0.7816173595	-0.9078425886	 2.3009548212	 0.101564
+H	-5.4947778859	 0.1501509312	 1.8879826903	 0.106394
+H	-3.3483209911	-1.7970540679	 3.0485258924	 0.119427
+H	-4.6408403446	-2.3343461299	 1.8616561681	 0.115904
+H	-3.4902839141	-0.9390480035	 0.0213476721	 0.09817
+19
+0 3897	4.5397807	1.0170143	0.9748495	2.9496	75.23	-0.24671	0.0728	0.31951	1245.4089	0.156341	-422.503555	-422.495398	-422.494454	-422.536349	31.598
+O	 0.4477674449	 0.1260766351	 0.0585803548	-0.430839
+C	-0.8069014776	-0.0755808911	 0.6639653071	 0.148401
+C	-1.9450265204	 0.7524139871	 0.0355709112	-0.304706
+C	-2.4875986344	 1.0191088663	 1.4613018608	 0.367078
+C	-3.7525122235	 0.2554714676	 2.0063041354	-0.337895
+C	-4.3462262987	 1.6185809034	 2.3859417352	 0.040578
+O	-4.4204321379	 2.3934104985	 1.1836413191	-0.248661
+C	-3.1641458617	 2.3280819934	 1.8735302107	-0.061588
+C	-1.1026968586	 0.6114777121	 2.0289163195	-0.350621
+H	 1.0930805853	-0.4348948057	 0.5005797063	 0.281366
+H	-1.0644591439	-1.1439152446	 0.700313616	 0.067774
+H	-1.5359518345	 1.6627815744	-0.4130512776	 0.114304
+H	-2.6049150214	 0.2636480393	-0.6833316153	 0.105436
+H	-4.3380219008	-0.3162901846	 1.2813254654	 0.108939
+H	-3.5188939157	-0.3726929102	 2.8703554511	 0.104029
+H	-5.0358161396	 1.8718331408	 3.1827069612	 0.102961
+H	-2.7065608933	 3.2678410149	 2.1649137939	 0.095454
+H	-0.4503311663	 1.4827070797	 2.1506581672	 0.105152
+H	-1.0742747617	 0.0069385636	 2.939842568	 0.092837
+19
+0 3898	3.6125889	1.0706948	1.001708	1.9474	76.55	-0.2594	0.00643	0.26583	1261.0892	0.155909	-422.55299	-422.544233	-422.543289	-422.586937	32.35
+C	-4.0165970345	 2.9170347424	 1.5657519463	-0.409679
+C	-2.7578069594	 3.113877457	 0.7320313482	 0.038938
+C	-2.3653487387	 1.876801396	-0.1553763424	-0.314553
+C	-1.0587218993	 1.7836365872	 0.6226955377	 0.496616
+C	-0.2623760391	 3.0442950417	 0.5501911089	-0.335367
+C	-1.4354586168	 2.9529664456	 1.5062719407	-0.15616
+O	-0.4737771106	 0.5729502258	 1.0439551505	-0.25495
+C	 0.0864215753	-0.1754915512	 0.074004157	 0.148896
+O	 0.1195164728	 0.0889452222	-1.094044871	-0.294753
+H	-4.1559797677	 3.7422849066	 2.2728022361	 0.115949
+H	-4.9055641796	 2.8659871845	 0.9280719978	 0.117725
+H	-3.9633745904	 1.9874538028	 2.1437748705	 0.117999
+H	-2.8192579268	 4.055075337	 0.173601136	 0.072416
+H	-3.0244449092	 1.0268576837	 0.0400647101	 0.108596
+H	-2.2727920061	 2.0202149958	-1.2345599045	 0.112112
+H	 0.7112657889	 2.9862993213	 1.0260031032	 0.119266
+H	-0.3024487871	 3.6813698372	-0.3306203003	 0.113166
+H	-1.3105168442	 3.0827210605	 2.57475945	 0.095683
+H	 0.5056960824	-1.0832782761	 0.5349719951	 0.108101
+19
+0 3899	3.9683019	0.8974886	0.825907	2.9953	76.51	-0.24695	-0.02693	0.22002	1431.1448	0.154301	-422.532151	-422.522942	-422.521998	-422.567094	33.171
+C	-3.9799621086	 3.5177030821	-0.969783445	-0.409961
+C	-2.6909686094	 3.4066760665	-0.1656079025	 0.010856
+C	-2.343131724	 1.9514554949	 0.3217491827	-0.313407
+C	-1.0846539102	 2.0004012907	-0.5636131325	 0.408321
+C	-0.3407175691	 0.8686009955	-1.2092350945	-0.394151
+C	 0.464425373	 0.0691847989	-0.1966877081	 0.157989
+O	 0.4333006733	-1.1294732452	-0.0975384789	-0.235695
+O	-0.3117538933	 3.1270332046	-0.1102219228	-0.29358
+C	-1.4027248266	 3.3697561276	-1.0077790788	-0.055685
+H	-4.8531237566	 3.3401875581	-0.333924985	 0.124587
+H	-4.0855173284	 4.5132750023	-1.4144397133	 0.119666
+H	-4.0057411813	 2.7843270887	-1.7840823517	 0.115558
+H	-2.6554008708	 4.1649790366	 0.6220051158	 0.086418
+H	-2.1560391442	 1.8124289332	 1.3891248044	 0.111434
+H	-3.0798220264	 1.2188763083	-0.0193491805	 0.110012
+H	-1.017544692	 0.1884448497	-1.7342770156	 0.125307
+H	 0.369188323	 1.290824327	-1.9331615102	 0.133977
+H	 1.1096403871	 0.6906787439	 0.4625573088	 0.097859
+H	-1.1762087754	 3.8877604665	-1.9344989521	 0.100496
+19
+0 3900	3.8378221	0.9452956	0.8583852	3.3384	76.79	-0.23692	-0.02227	0.21464999999999998	1384.6373	0.154297	-422.528703	-422.519489	-422.518544	-422.563714	33.215
+C	-3.9867908716	 2.7319671441	-1.6587641149	-0.39978
+C	-2.8032653301	 3.0947078688	-0.7865722119	 0.140973
+O	-2.2811416299	 1.9190920782	-0.0856457904	-0.341821
+C	-1.0466813951	 2.0192139371	-0.8082903793	 0.465478
+C	-0.3988608642	 0.7380938812	-1.2469287939	-0.385731
+C	 0.1481922414	-0.0508115516	-0.067974418	 0.160312
+O	 1.2406896514	-0.5551839222	-0.0397505167	-0.239393
+C	-0.3544054171	 3.3080142209	-0.4774184422	-0.342433
+C	-1.4694207753	 3.2914005401	-1.5064023348	-0.20656
+H	-4.8067937629	 2.3500281184	-1.0435745528	 0.130373
+H	-4.3446948961	 3.614998509	-2.199888658	 0.11819
+H	-3.7133094095	 1.9635913963	-2.3880418193	 0.121027
+H	-3.0723964361	 3.8801159543	-0.0684425328	 0.082214
+H	-1.1512691859	 0.1114316971	-1.7464581249	 0.130287
+H	 0.4169724116	 0.9272051354	-1.9496033804	 0.127303
+H	-0.5528655124	-0.1392089232	 0.7905153661	 0.099069
+H	-0.5097842752	 3.7692932932	 0.4942547292	 0.117378
+H	 0.6428640373	 3.4262447256	-0.8902649926	 0.121257
+H	-1.3445096104	 3.6145183074	-2.5317502123	 0.101856
+19
+0 3901	4.1761186	0.8690521	0.8118517	2.926	76.76	-0.2393	-0.01951	0.21979	1423.2894	0.155167	-422.536588	-422.527474	-422.52653	-422.571444	33.199
+O	-3.9594420539	 2.854289513	 1.7438236206	-0.437907
+C	-2.8771726413	 3.1730881469	 0.8944845288	 0.146904
+C	-2.4840904585	 1.9139495588	 0.0713700915	-0.308888
+C	-1.1071741636	 1.9038190592	 0.7597779463	 0.360602
+C	-0.356243748	 0.667966413	 1.1936471693	-0.396975
+C	 0.2941423778	-0.0373618724	 0.0196150714	 0.167339
+O	 1.46022749	-0.3290184163	-0.046728883	-0.239339
+C	-0.4237348503	 3.2232646684	 0.5104529461	-0.329737
+C	-1.4941085959	 3.1441081873	 1.5662320542	-0.160521
+H	-4.1117994606	 3.606418426	 2.3255237605	 0.282362
+H	-3.0872887723	 4.0822568371	 0.3115214469	 0.0652
+H	-3.1197572877	 1.0802509782	 0.3786271172	 0.120562
+H	-2.4945750942	 1.9982330744	-1.0196602155	 0.096576
+H	 0.4244060526	 0.9093162963	 1.9215369677	 0.120081
+H	-1.0547425074	-0.0395120006	 1.6650423245	 0.121716
+H	-0.4023500347	-0.2746239216	-0.8182408406	 0.075451
+H	 0.5928569437	 3.3012185019	 0.8835500345	 0.121013
+H	-0.6003055965	 3.7741305256	-0.4115907631	 0.107044
+H	-1.3016025692	 3.3722388649	 2.6089172026	 0.088518
+19
+0 3902	2.8273178	1.3705745	1.0797457	1.166	76.49	-0.25322	-0.0356	0.21762	1156.1994	0.15593	-422.533093	-422.524421	-422.523477	-422.566734	31.847
+C	 1.6554091236	 1.3780962922	 0.1787107031	-0.407095
+C	 1.3296083036	-0.0840208954	-0.0810307236	 0.024386
+C	 1.698763408	-1.1439905817	 1.0074321427	-0.325466
+C	 2.4686754256	-1.9825228105	-0.0426261953	 0.200208
+C	 3.9420736591	-1.5841982027	-0.2380459271	-0.132284
+O	 3.6016567075	-0.4655969007	-1.0845159022	-0.282315
+C	 2.2133854513	-0.8393302928	-1.1042437465	 0.058983
+C	 2.0576754053	-3.3931263021	-0.2901859757	 0.056931
+O	 1.1220224494	-3.9412101315	 0.2393815115	-0.251074
+H	 1.0972588027	 1.7508912705	 1.0437769031	 0.117135
+H	 2.7237229167	 1.5052156255	 0.3738681929	 0.13011
+H	 1.3963700382	 2.0028262059	-0.6828572569	 0.118138
+H	 0.278981706	-0.1963240901	-0.3708071388	 0.083733
+H	 2.3267741104	-0.7706049945	 1.8212147886	 0.101468
+H	 0.8483526746	-1.6806703692	 1.4299905125	 0.132209
+H	 4.4846821463	-1.2807931403	 0.6646737766	 0.111987
+H	 4.5362384703	-2.3286457689	-0.786779071	 0.105879
+H	 1.8410291328	-0.9962679452	-2.1210121265	 0.083094
+H	 2.6762957686	-3.9247324084	-1.0508047774	 0.073971
+19
+0 3903	2.0989468	1.6832038	1.13561	2.7411	75.98	-0.24433	-0.03796	0.20637	1131.9218	0.15553	-422.534225	-422.525488	-422.524543	-422.568073	32.091
+C	 2.6446520264	-0.6575261501	-1.3765037106	-0.413408
+C	 1.8859456622	-0.0383347764	-0.2095756891	 0.032322
+C	 2.3369275985	-0.5292126293	 1.2048380586	-0.300514
+C	 2.739675869	 0.9108071862	 1.5894253677	 0.357607
+O	 1.6908609766	 1.6837057271	 2.201889292	-0.334988
+C	 1.2781087355	 2.2394516943	 0.9291603209	-0.097643
+C	 2.3173522916	 1.4105034265	 0.1578632021	-0.139374
+C	 4.0910853006	 1.1716435009	 2.1836840361	 0.084184
+O	 5.054817315	 0.4724514216	 1.9895570163	-0.257939
+H	 2.4078894122	-1.7222196169	-1.4754234454	 0.120437
+H	 2.391540574	-0.1656416069	-2.3221565509	 0.114887
+H	 3.7269854707	-0.5698345875	-1.2291637929	 0.128892
+H	 0.8072576216	-0.1198468824	-0.3794148205	 0.075026
+H	 1.5675118556	-0.954608908	 1.8516198994	 0.112752
+H	 3.2039641338	-1.1939540016	 1.1715215609	 0.127639
+H	 0.2253270821	 2.027343494	 0.7046346231	 0.105408
+H	 1.4389582251	 3.3241092447	 0.9021147093	 0.108362
+H	 2.9884618318	 1.9301791592	-0.525757129	 0.088511
+H	 4.139632108	 2.0928782046	 2.805702322	 0.087837
+19
+0 3904	2.5000754	1.4647909	1.1305579	2.864	76.32	-0.24433	-0.03742	0.20690999999999998	1143.5681	0.15539	-422.539136	-422.530392	-422.529448	-422.572791	32.26
+C	 1.7208070557	-0.9125814377	-1.0207738648	-0.404702
+C	 1.4584738088	 0.1326046694	 0.0443795097	 0.143642
+O	 1.8909068328	-0.3211813948	 1.3604565137	-0.346315
+C	 2.839559505	 0.7491218948	 1.4871326503	 0.352692
+C	 2.3001096574	 2.0197999665	 2.1861556493	-0.28246
+C	 1.860673959	 2.6001614412	 0.8072809918	-0.238737
+C	 2.4153679954	 1.3429533954	 0.0922591296	-0.140534
+C	 4.2286917678	 0.2732430463	 1.7924504329	 0.086339
+O	 5.1089065349	 0.9861338053	 2.2068988323	-0.257374
+H	 1.1696659306	-1.8302991949	-0.7940072714	 0.131921
+H	 1.3960190515	-0.5480884297	-2.001535894	 0.119282
+H	 2.7862708154	-1.1579398216	-1.0753379025	 0.119716
+H	 0.3943250196	 0.4044168123	 0.0613709193	 0.078591
+H	 1.5088200472	 1.8135072641	 2.9089332694	 0.114611
+H	 3.1015321549	 2.5855098811	 2.665299784	 0.131366
+H	 0.787996947	 2.7632953936	 0.6725348347	 0.105295
+H	 2.3848221272	 3.5190951504	 0.5380989999	 0.113857
+H	 3.0984750999	 1.4731844696	-0.7467874939	 0.087449
+H	 4.3903579297	-0.8062594512	 1.5754735095	 0.085364
+19
+0 3905	2.7307952	1.3007365	1.0648394	3.1731	76.54	-0.24408	-0.02453	0.21955	1172.2068	0.156025	-422.542055	-422.533358	-422.532414	-422.575938	32.391
+O	-1.109591738	 0.4585036788	 1.4946767172	-0.430866
+C	-1.8810508584	 0.0621115629	 0.383399898	 0.142548
+C	-2.3865952064	 1.2950171764	-0.3981376502	-0.317096
+C	-3.8530067825	 0.8099314643	-0.2797586649	 0.269539
+C	-4.3187652676	-0.2620976148	-1.2986950213	-0.297081
+C	-3.9420440924	-1.4023643741	-0.3065664727	-0.22595
+C	-3.3510197698	-0.3683587984	 0.6768710854	-0.116796
+C	-4.8737237382	 1.7829021944	 0.2075410913	 0.067666
+O	-6.0435030802	 1.7716061303	-0.091500876	-0.25902
+H	-0.8520986899	-0.3311352509	 1.9821812926	 0.283218
+H	-1.343208059	-0.6760152535	-0.2299069606	 0.065773
+H	-2.2088661072	 2.19523329	 0.1988610697	 0.120923
+H	-2.0010330595	 1.4528781766	-1.4081849905	 0.10564
+H	-5.3857437099	-0.1860920449	-1.5132185578	 0.133245
+H	-3.7657670935	-0.2555018838	-2.2415272109	 0.099426
+H	-4.8174603874	-1.9188965933	 0.0933553766	 0.112767
+H	-3.235798891	-2.1554064245	-0.6703881412	 0.097169
+H	-3.6157037064	-0.4188971519	 1.7341766235	 0.077894
+H	-4.4764796928	 2.5382882063	 0.9260728917	 0.071004
+19
+0 3906	3.2813535	1.2103613	1.0537235	2.5554	76.41	-0.22428	-0.03401	0.19027	1213.6027	0.155397	-422.542631	-422.53354	-422.532596	-422.577358	32.568
+C	-0.9491331291	 2.303807349	-1.0676944391	-0.410165
+C	-0.9893105302	 1.1127488218	-0.1199581029	-0.094578
+C	-2.1477337354	 0.0626887762	-0.2029265161	-0.331267
+C	-1.1298410166	-1.1062534589	-0.1514706367	 0.351597
+C	-1.1752524672	-2.4207377667	-0.9473966346	-0.360579
+C	-0.9653788241	-3.0916811922	 0.4234153088	-0.068963
+O	-1.0442625062	-1.8154076358	 1.1024750425	-0.317736
+C	-0.0144239544	-0.0489006589	-0.3801325918	 0.344015
+O	 1.1203446025	-0.1207383733	-0.7548586953	-0.30177
+H	-1.0917919914	 1.984820567	-2.1056221461	 0.119175
+H	-1.7323494405	 3.0289271704	-0.8260254976	 0.121488
+H	 0.0178478908	 2.8117154891	-1.0050688114	 0.136575
+H	-0.8618789524	 1.4438919796	 0.918901567	 0.114762
+H	-2.8665678176	 0.0649550485	 0.6176235081	 0.119405
+H	-2.6815741596	 0.1011106017	-1.1575563118	 0.109278
+H	-2.1358864214	-2.6277289711	-1.4224695462	 0.116154
+H	-0.3685113117	-2.5431907341	-1.6718226226	 0.129975
+H	-1.7511144993	-3.7757439219	 0.7619538252	 0.107374
+H	 0.0124103838	-3.5654060303	 0.5647492507	 0.11526
+19
+0 3907	3.3123475	1.1626596	1.0186647	3.2378	76.09	-0.23949	-0.0299	0.20959	1231.262	0.15573	-422.539225	-422.53022	-422.529276	-422.573718	32.211
+C	-0.9602463869	 2.2581597453	 1.1175004238	-0.40776
+C	-1.0257680132	 1.1223633466	 0.1052279964	-0.087906
+C	-2.15540516	 0.0414682344	 0.1975710633	-0.347661
+C	-1.108176871	-1.0927817392	 0.0450101791	 0.175693
+C	-1.0962975998	-2.4267496041	 0.813061122	-0.132249
+O	-1.0247018637	-3.1957467082	-0.4037086599	-0.269171
+C	-1.0536127275	-2.0054100666	-1.207638176	-0.118132
+C	-0.020624626	-0.0329267055	 0.2526492665	 0.336092
+O	 1.1400215967	-0.0971415252	 0.5432750534	-0.304801
+H	-1.0345529881	 1.8767527082	 2.1412378134	 0.121368
+H	-0.0114924222	 2.7956787556	 1.0300390203	 0.138082
+H	-1.7743849642	 2.9728869313	 0.9624693782	 0.122221
+H	-0.9602970034	 1.5188824169	-0.9165866472	 0.106169
+H	-2.6347983413	 0.0303948698	 1.1811893744	 0.112544
+H	-2.9296303234	 0.0826271623	-0.5714284524	 0.109901
+H	-0.2147021148	-2.5774006327	 1.4479185056	 0.121442
+H	-2.0073230837	-2.6400228257	 1.3870562908	 0.10417
+H	-0.1561725651	-1.9056799845	-1.8305465055	 0.115711
+H	-1.9480393223	-1.9523192485	-1.8428234361	 0.104288
+19
+0 3908	3.0429308	1.2879046	1.1186346	1.068	76.54	-0.24544	-0.02866	0.21678	1174.3696	0.155549	-422.55024	-422.541378	-422.540434	-422.584097	32.508
+C	-0.96568017	 2.0194334407	-1.2505952531	-0.404922
+C	-0.9658959092	 1.1228284765	-0.0259678615	 0.024599
+O	-2.0700022249	 0.1786071742	 0.0143258643	-0.348054
+C	-1.2244951104	-0.9833482256	 0.0646153724	 0.341173
+C	-1.3377282477	-2.0069879706	 1.2205645004	-0.287762
+C	-1.0000725058	-3.1216175693	 0.1924072195	-0.210699
+C	-1.3921370385	-2.1410581503	-0.947102001	-0.284408
+C	-0.0002661461	-0.0731767351	-0.0136369314	 0.267974
+O	 1.1831939343	-0.2271117218	-0.069142143	-0.291559
+H	-0.9812655847	 1.4277143317	-2.1701091818	 0.127126
+H	-1.844617084	 2.6706143269	-1.2428503594	 0.13479
+H	-0.0688118308	 2.6467191777	-1.2521842856	 0.13501
+H	-0.9231137455	 1.717485634	 0.8972635629	 0.106001
+H	-0.680932889	-1.8723402485	 2.0829079012	 0.109961
+H	-2.3762234544	-2.0596683842	 1.5593050393	 0.120151
+H	 0.0680328627	-3.3487571075	 0.1793481334	 0.123957
+H	-1.5615179159	-4.0541769202	 0.264592437	 0.106143
+H	-0.7777017847	-2.114248808	-1.8498592871	 0.110353
+H	-2.4454118652	-2.2329308605	-1.2266471065	 0.120165
+19
+0 3909	3.3267756	1.1983743	1.0502346	2.3999	76.12	-0.24291	-0.02738	0.21553	1195.3821	0.155977	-422.550208	-422.541209	-422.540265	-422.584227	32.866
+O	-0.7505688719	 2.2680649706	-0.7067383496	-0.439002
+C	-0.9309139955	 1.0886806332	 0.0165797217	 0.075759
+C	-2.1765878525	 0.1587242488	-0.2181960093	-0.374877
+C	-1.2576931227	-1.0914680644	-0.1163833786	 0.244101
+C	-1.1625158078	-1.948909203	 1.1843282158	-0.27772
+C	-0.8030691328	-3.1720307217	 0.2998063817	-0.204129
+C	-1.3473758816	-2.4005532518	-0.9334949295	-0.288104
+C	-0.0997430627	-0.1306560578	-0.3902079937	 0.293363
+O	 0.9229812376	-0.2121514837	-1.0168158054	-0.322081
+H	-0.1197499313	 2.0751917262	-1.4116850011	 0.294931
+H	-0.8337038544	 1.2980709262	 1.0900782061	 0.109596
+H	-2.9834592781	 0.2376722964	 0.512440613	 0.109611
+H	-2.5738082092	 0.2915345548	-1.2282368082	 0.117778
+H	-0.4453200682	-1.6374619305	 1.9481664837	 0.107103
+H	-2.1483277248	-2.0495188658	 1.6486353097	 0.108209
+H	 0.2771959776	-3.321795099	 0.2351538803	 0.120458
+H	-1.2762467063	-4.1237548025	 0.5490294408	 0.101914
+H	-0.7559796454	-2.4320781988	-1.8515689354	 0.116591
+H	-2.3850772901	-2.6590510673	-1.1633975821	 0.106499
+19
+0 3910	3.8667569	1.1504854	1.0620003	2.6513	77.82	-0.23787	0.00596	0.24383	1199.3512	0.156475	-422.541195	-422.532804	-422.53186	-422.574581	31.343
+C	 0.3397378456	-0.0272813641	-0.5761950054	-0.388651
+C	 0.7715549609	-0.0079730796	 0.8897766867	 0.066734
+O	 2.1095714731	-0.5140180225	 1.0148408372	-0.314214
+C	 2.9457557747	 0.4143188725	 1.6774696216	 0.321341
+C	 3.7915591994	-0.1457778995	 2.8557824533	-0.123397
+O	 5.0101381361	 0.3377096746	 2.2583836072	-0.273015
+C	 4.334372917	 0.6612468223	 1.0280939915	-0.121246
+C	 2.071048076	 1.5998669273	 1.9461860422	-0.147088
+C	 0.8399229107	 1.3621449229	 1.5104108533	-0.110805
+H	 0.4164542884	-1.0420382604	-0.9762569227	 0.128954
+H	-0.6994804872	 0.3036160705	-0.6751733678	 0.113492
+H	 0.9761204456	 0.632864978	-1.1726120846	 0.120569
+H	 0.0979149494	-0.6645029372	 1.4645261958	 0.086694
+H	 3.6184747106	 0.2798547475	 3.8509326258	 0.10019
+H	 3.7527356981	-1.2415467158	 2.9069437755	 0.106422
+H	 4.5582080826	 1.6778548898	 0.6846174131	 0.100148
+H	 4.5483335435	-0.0582641452	 0.2271838235	 0.106222
+H	 2.4371955237	 2.4944228032	 2.4338986437	 0.117407
+H	-0.0139276883	 2.0253064957	 1.5689679901	 0.110243
+19
+0 3911	4.0763915	1.0813435	1.0095928	1.2167	77.52	-0.23549	0.00417	0.23966	1230.4998	0.157154	-422.550438	-422.542006	-422.541062	-422.584039	31.673
+O	 0.3786210551	 0.2254507142	-0.1043497702	-0.436383
+C	-0.813434205	-0.0499498226	 0.6231836625	 0.068528
+C	-0.8381097317	 0.5470390744	 2.0516033009	-0.318183
+C	-2.2477583909	 1.1369224732	 2.245148007	 0.423867
+C	-2.4484243734	 2.3069891821	 3.240957788	-0.350341
+C	-3.381685179	 1.34603237	 3.9959779441	-0.069193
+O	-3.1264015143	 0.2857910695	 3.0544893348	-0.325774
+C	-2.7547357362	 1.2739227831	 0.8340761434	-0.119339
+C	-1.9842919413	 0.6314302827	-0.0399004722	-0.074947
+H	 1.0783389808	-0.3283905256	 0.2554040812	 0.283586
+H	-0.987157494	-1.1381136572	 0.6465565172	 0.081671
+H	-0.6033063922	-0.1705341674	 2.84177803	 0.102912
+H	-0.0974383084	 1.35317637	 2.0756642064	 0.111568
+H	-1.5448957873	 2.5997953119	 3.7791383056	 0.109713
+H	-2.9169026175	 3.1986155369	 2.8192838509	 0.109467
+H	-3.0734965166	 1.0753152553	 5.0133368168	 0.099582
+H	-4.4412127066	 1.6306733934	 4.0146869602	 0.09998
+H	-3.6784859827	 1.7950752561	 0.6072919489	 0.097219
+H	-2.1512026786	 0.5507278901	-1.1080118854	 0.106067
+19
+0 3912	4.1072046	1.0368667	0.96841	1.7443	77.	-0.2444	0.00717	0.25157	1253.468	0.15737	-422.543523	-422.535096	-422.534152	-422.577357	31.385
+O	 0.3854055615	 0.3822754609	-0.0516297145	-0.433024
+C	-0.8092135196	 0.023540364	 0.6328100645	 0.072654
+C	-0.8913204812	 0.560015166	 2.0863147225	-0.343093
+C	-2.3323399399	 1.081510768	 2.2748697298	 0.264017
+C	-2.5730326286	 2.2524635727	 3.262390477	-0.120863
+O	-3.4839736798	 1.4749257938	 4.0610364355	-0.272544
+C	-3.2901049042	 0.3132644871	 3.2359182717	-0.115467
+C	-2.8129476864	 1.2407007429	 0.8580669107	-0.135191
+C	-1.9968742457	 0.6754078834	-0.0281766272	-0.082486
+H	 1.1014665779	-0.1569798424	 0.2982157854	 0.283339
+H	-0.9269672185	-1.0731408639	 0.6097205734	 0.073043
+H	-0.6045881402	-0.1778457508	 2.8414829332	 0.095193
+H	-0.189910549	 1.3987827418	 2.1523988289	 0.115219
+H	-1.6859448386	 2.5618769519	 3.8314293733	 0.096319
+H	-3.0518255513	 3.144308519	 2.8374415621	 0.099476
+H	-2.8262254461	-0.5153311487	 3.7886038652	 0.095102
+H	-4.2295594814	-0.0376175904	 2.790524444	 0.099456
+H	-3.7518182891	 1.7339830575	 0.6269539986	 0.103484
+H	-2.1421195497	 0.6343268173	-1.1012812641	 0.105365
+19
+0 3913	2.8277154	1.4055865	1.1192002	1.0863	76.12	-0.25306	-0.03202	0.22104000000000001	1141.3481	0.155654	-422.545557	-422.536928	-422.535984	-422.578859	32.312
+C	 0.3040580855	 3.7902362008	-0.2021320147	-0.407493
+C	-1.1069181756	 3.2158155197	-0.1136426979	 0.027434
+C	-1.4125105378	 2.102405038	-1.1623448811	-0.304442
+C	-1.1549946275	 1.0433369992	-0.0649898797	 0.340979
+C	-1.2950787774	 2.1483876852	 1.0080184255	-0.304452
+O	-1.9667478666	-0.1476470452	 0.0041802077	-0.325678
+C	-0.8416819347	-1.0498752608	-0.037693714	-0.19371
+C	 0.0932730419	 0.1625482828	-0.113943535	 0.282666
+O	 1.2714094609	 0.3478691572	-0.1816227194	-0.283143
+H	 0.5197762897	 4.4315133244	 0.6593102731	 0.113286
+H	 1.0551703341	 2.9931649398	-0.2259400769	 0.145106
+H	 0.4241368366	 4.3941538034	-1.1080698651	 0.113284
+H	-1.8410427429	 4.024772054	-0.0910567638	 0.074141
+H	-2.4653480706	 2.0749962942	-1.4555367975	 0.118854
+H	-0.7854970341	 2.0590008034	-2.056870366	 0.108853
+H	-2.3100694446	 2.1358116148	 1.413983347	 0.118856
+H	-0.5751312146	 2.1413819236	 1.8307203453	 0.108855
+H	-0.7460607528	-1.6623749342	 0.8673637777	 0.133304
+H	-0.8428828793	-1.7000909503	-0.9212424452	 0.1333
+19
+0 3914	2.9478829	1.3538168	1.1045093	2.9954	76.27	-0.22766	-0.03172	0.19594	1161.4888	0.1555	-422.549462	-422.540683	-422.539739	-422.583424	32.481
+C	 0.2911780191	 3.8817553373	-0.2324994002	-0.399924
+C	-1.029996307	 3.1603686105	-0.0546317192	 0.145565
+C	-1.0991238693	 2.096845563	 1.0657094102	-0.366219
+C	-1.1394261478	 1.0863770662	-0.1054156891	 0.358356
+C	-2.1256910797	-0.1109517494	-0.1575288269	-0.320565
+C	-0.9502686956	-1.1110957695	 0.0603655878	-0.348568
+C	 0.017497971	 0.060475485	-0.1995752072	 0.345867
+O	 1.1837697872	 0.1549545432	-0.4482693129	-0.299252
+O	-1.2279852268	 2.1326709228	-1.0678694489	-0.318657
+H	 0.4461287361	 4.6028232298	 0.5778724769	 0.113328
+H	 1.1177078076	 3.1645336826	-0.2352107571	 0.143129
+H	 0.3029720577	 4.4252332056	-1.1821912492	 0.127702
+H	-1.867781901	 3.8674137795	-0.0676115669	 0.078993
+H	-0.2292866292	 2.0399036711	 1.7227256202	 0.1207
+H	-2.0135320007	 2.1165101832	 1.6614967327	 0.114167
+H	-2.9198278242	-0.1101479943	 0.5910877771	 0.107319
+H	-2.5682521785	-0.1980230083	-1.1525668708	 0.128383
+H	-0.8678385494	-1.4949638672	 1.08209483	 0.133336
+H	-0.8656128696	-1.951140821	-0.6325359263	 0.13634
+19
+0 3915	3.4663246	1.1213626	0.9904734	4.065	75.53	-0.26609	0.01107	0.27716	1253.7766	0.156956	-422.575473	-422.566906	-422.565962	-422.608957	31.712
+C	-1.8001360354	 4.4245249732	 0.2328548926	-0.414341
+C	-1.0006285865	 3.1339534058	 0.1819341966	 0.064086
+C	-1.3487905683	 1.9895834912	 1.17668149	-0.300935
+C	-1.0948858651	 0.9748718466	 0.0334177044	 0.119704
+C	-1.7099337184	-0.424748205	-0.0876939489	-0.161072
+O	-0.371327142	-1.0251869127	-0.0692194979	-0.250908
+C	 0.2251519258	 0.2076845108	 0.0402120993	 0.438352
+O	 1.3875307164	 0.4533595211	 0.1080328237	-0.335949
+C	-1.2531606303	 2.1339972298	-0.9828244196	-0.300865
+H	-1.6144550787	 4.9697629744	 1.1647657263	 0.120567
+H	-1.5362520387	 5.0877918859	-0.5982023111	 0.120567
+H	-2.8760560816	 4.2238848582	 0.1716996646	 0.11024
+H	 0.0712855705	 3.3458318818	 0.2435574886	 0.099667
+H	-0.7451764587	 1.8877934323	 2.0812396911	 0.118355
+H	-2.408937595	 2.0052150927	 1.4521595228	 0.10344
+H	-2.2992641851	-0.7703792524	 0.7650716009	 0.123644
+H	-2.2205496721	-0.6499364636	-1.0271238723	 0.123643
+H	-0.5716796966	 2.149754307	-1.8362088087	 0.118369
+H	-2.2850238703	 2.1923273428	-1.3460037725	 0.103437
+19
+0 3916	3.3053467	1.1422193	0.9937559	1.8254	76.49	-0.23682	-0.02095	0.21587	1233.8844	0.155732	-422.555401	-422.546495	-422.54555	-422.589953	32.959
+O	-1.5303923303	 4.397916817	 0.1465514493	-0.431691
+C	-0.8672524008	 3.158856886	 0.2060464947	 0.154247
+C	-1.3507251309	 2.0938224173	 1.2289414376	-0.327636
+C	-1.2092270773	 1.0302554185	 0.1035157592	 0.234724
+C	-2.0426808665	-0.2761047928	-0.0115703045	-0.331254
+C	-0.7390593055	-1.1328867998	-0.0516918774	-0.345959
+C	 0.059912884	 0.1709914588	 0.1172705088	 0.357197
+O	 1.2242169103	 0.4325718676	 0.2347121707	-0.30684
+C	-1.2470023043	 2.1933541774	-0.9311755546	-0.302347
+H	-1.1689603002	 4.9705704089	 0.8303056114	 0.283903
+H	 0.2219459888	 3.2795419078	 0.2641115683	 0.091143
+H	-0.7711216969	 1.9436890486	 2.1432213453	 0.104575
+H	-2.4041374219	 2.259057271	 1.4752105037	 0.109266
+H	-2.6758727899	-0.4703737564	 0.8571038727	 0.11022
+H	-2.6579901268	-0.3382936405	-0.9117307412	 0.109736
+H	-0.6001037635	-1.8528365987	 0.7598153239	 0.131617
+H	-0.537611138	-1.6439753749	-0.9979598423	 0.13311
+H	-0.5899065912	 2.1313493494	-1.8012167391	 0.110284
+H	-2.2743815992	 2.3856109747	-1.2552193064	 0.115704
+19
+0 3917	3.2207116	1.3445809	1.1552637	2.5233	77.23	-0.2281	0.07229	0.30039	1121.9321	0.154992	-422.444508	-422.436252	-422.435308	-422.476653	32.901
+C	 0.9484955879	 3.4007599124	 4.0470405082	-0.505831
+C	 0.1507919234	 2.1933131455	 3.656020059	 0.386449
+C	-0.4370890492	 1.0491618019	 4.5961795358	-0.347562
+C	-1.0020732334	 0.9059197128	 3.1658653672	 0.374905
+C	-1.5792461692	 0.2910554614	 1.8898269824	-0.37633
+C	-0.3800039397	 1.0363015071	 1.1475125686	 0.129443
+O	 0.2656226935	 0.3630508197	 0.1048611532	-0.430184
+C	 0.3711668197	 1.1218508914	 2.5382350911	-0.146267
+O	-1.2138469309	 2.3944005293	 3.1466373819	-0.367682
+H	 0.4349410599	 3.961976992	 4.8339280144	 0.132219
+H	 1.9344747325	 3.1029360397	 4.4165547522	 0.125536
+H	 1.0853920446	 4.0570490495	 3.1824483797	 0.135905
+H	 0.240681418	 0.2659101826	 4.946882199	 0.096435
+H	-1.1188208532	 1.4069478211	 5.3701172597	 0.10928
+H	-1.4322730212	-0.7936396638	 1.8494840348	 0.101865
+H	-2.6070393304	 0.5405645012	 1.6174221273	 0.119087
+H	-0.6879460034	 2.0022832938	 0.7546269754	 0.122112
+H	 0.5676414039	-0.4911216753	 0.4318802977	 0.278123
+H	 1.142621787	 0.3586926979	 2.6813977724	 0.062497
+19
+0 3918	3.4032868	1.2922048	1.1474944	1.899	76.87	-0.24107	0.0623	0.30337000000000003	1129.9838	0.155907	-422.436195	-422.428177	-422.427232	-422.468062	32.337
+C	 0.0121881036	 0.0891506452	 0.0894642283	-0.40575
+C	 1.5202592169	 0.0351836078	 0.1142360574	 0.07237
+O	 2.0555919576	-0.711404872	-1.0655922594	-0.36949
+C	 2.9770528659	-1.3155972966	-0.1606945451	 0.427186
+C	 3.558159737	-2.5913737926	 0.4742496687	-0.373503
+C	 3.6422511707	-1.3489958936	 1.5438442993	 0.363521
+O	 4.210210208	-1.3782131343	 2.7958654725	-0.453155
+C	 4.1898139545	-0.4997000811	 0.4029107613	-0.314995
+C	 2.1665739901	-1.0205733578	 1.0884212391	-0.176285
+H	-0.3573755994	 0.6240454816	 0.9709513202	 0.122457
+H	-0.3354927766	 0.6139247739	-0.8055702752	 0.131729
+H	-0.4132362472	-0.9183187987	 0.0831501161	 0.125129
+H	 1.955800001	 1.0380805492	 0.1309103225	 0.093047
+H	 2.8483897762	-3.3863503438	 0.713063753	 0.100448
+H	 4.5211427217	-2.9776092165	 0.1283433695	 0.103365
+H	 3.6858814701	-1.9588455465	 3.3581869415	 0.286998
+H	 4.065997998	 0.5794309468	 0.4964017386	 0.101742
+H	 5.1780217832	-0.7647483869	 0.0226039467	 0.09652
+H	 1.4301198785	-1.7889343139	 1.3424510849	 0.068665
+19
+0 3919	3.234391	1.2895066	1.1183263	1.8798	76.95	-0.23261	0.07235	0.30496	1129.724	0.156512	-422.454378	-422.446341	-422.445397	-422.486285	32.467
+O	 0.5911485664	 0.3298526454	 0.6828986915	-0.428161
+C	-0.6640910402	-0.1762733382	 1.0585254215	 0.078496
+C	-1.7778497459	 0.143941237	-0.0061456854	-0.340257
+C	-2.7013644258	 0.4476956744	 1.1892595496	 0.278581
+C	-3.1331192732	-0.7116731604	 2.1542801803	-0.31966
+C	-2.705303409	 0.4686684516	 3.0496966287	 0.369777
+O	-2.8020491908	 0.582329281	 4.4254123974	-0.464315
+C	-3.5307600164	 1.4147769919	 2.0766845489	-0.338879
+C	-1.4790275816	 0.7091093815	 2.0931884082	-0.147007
+H	 1.2148536034	 0.1468816641	 1.3935278797	 0.282339
+H	-0.6075496806	-1.2443618436	 1.2970107225	 0.07374
+H	-1.4874856154	 1.0413292208	-0.5589359023	 0.12271
+H	-2.0722917669	-0.6431568877	-0.7048565951	 0.101681
+H	-4.1971621861	-0.963418959	 2.1502737996	 0.090666
+H	-2.5153919208	-1.6113722395	 2.1807001093	 0.087492
+H	-2.3177961493	-0.149221708	 4.823595683	 0.278555
+H	-4.61810083	 1.2955421679	 2.1103835319	 0.095188
+H	-3.2333422274	 2.4655690313	 2.0618944819	 0.102339
+H	-1.0980885003	 1.7348908494	 2.0559195588	 0.076715
+19
+0 3920	2.9680602	1.6001995	1.3503891	2.9946	76.37	-0.22521	0.04979	0.275	1004.4038	0.154792	-422.415338	-422.407017	-422.406073	-422.447397	33.114
+C	-0.5363212632	 2.9527400907	-0.1519639943	-0.454337
+C	-1.5206853876	 1.9520614121	 0.4268710146	 0.267972
+C	-0.8967155217	 0.5093219873	 0.6410230827	 0.037372
+O	 0.2176169019	 0.2667278265	-0.1734378239	-0.425841
+C	-0.6214180022	 0.9362655397	 2.1798808289	-0.387559
+C	-1.7837493609	 1.8934606784	 1.9178035683	 0.368148
+C	-3.2368839801	 1.3637335964	 1.6948155195	-0.26098
+C	-2.9612296919	 2.5109257045	 0.7363704827	-0.033193
+O	-2.3536371774	 3.2757644984	 1.921638915	-0.384992
+H	 0.4897071177	 2.7676959878	 0.1764659785	 0.122038
+H	-0.5337134061	 2.8835801501	-1.2450769653	 0.117939
+H	-0.8195621317	 3.965596583	 0.1391514123	 0.131497
+H	-1.608252619	-0.3201103375	 0.5900520484	 0.086662
+H	 0.5488590972	-0.6161366646	 0.0196386516	 0.28841
+H	-0.7229259387	 0.1857137636	 2.968518445	 0.103677
+H	 0.3521600387	 1.4273918276	 2.2393767447	 0.131762
+H	-3.3906153132	 0.3630606657	 1.287700278	 0.096372
+H	-3.9259173825	 1.5998354826	 2.5051993373	 0.107883
+H	-3.6453019393	 3.1103884576	 0.1285848361	 0.087169
+19
+0 3921	3.08873	1.5848109	1.3689485	1.8843	76.4	-0.22065	0.05435	0.275	1009.0477	0.15564	-422.423044	-422.415132	-422.414188	-422.454637	32.282
+C	 0.7331798432	-0.6081819099	-0.716370864	-0.412477
+C	 0.9813847255	 0.1171561131	 0.5956762199	-0.052566
+C	 1.8230251574	 1.4897953311	 0.5553356473	-0.357068
+C	 2.3664802106	 1.0109152904	 1.9050164235	 0.322269
+C	 1.5284511784	 0.887125958	 3.2018410811	-0.259477
+C	 2.4202266907	-0.3434309328	 3.090863427	-0.054052
+O	 3.5796252902	 0.6076740906	 2.703878958	-0.40675
+C	 2.1164533557	-0.4403249051	 1.5552540555	 0.393042
+O	 3.0843756064	-1.095078272	 0.7951356639	-0.47509
+H	 0.2034249017	-1.5509878452	-0.5444856447	 0.120887
+H	 0.1155782812	 0.0075354732	-1.3795045364	 0.111991
+H	 1.6731638422	-0.8360095003	-1.2216106262	 0.141332
+H	 0.0379216905	 0.2787554153	 1.1178714436	 0.092626
+H	 2.567640716	 1.4378900898	-0.2415829052	 0.13195
+H	 1.2864157083	 2.4405138383	 0.5112829829	 0.109228
+H	 1.8169992592	 1.5851225426	 3.986821052	 0.11461
+H	 0.4483844978	 0.7554459307	 3.128010522	 0.105387
+H	 2.6996034237	-1.0905209383	 3.8405069358	 0.089725
+H	 3.9275512414	-0.8434350296	 1.2040086139	 0.284435
+19
+0 3922	3.0333532	1.6629666	1.379005	2.7152	76.39	-0.2341	0.06886	0.30296	995.0863	0.155682	-422.43006	-422.422001	-422.421057	-422.461856	32.428
+C	-0.0053248426	-0.0161124459	 0.094066993	-0.411393
+C	 1.5012921482	-0.0868937963	 0.1001039598	 0.044902
+O	 2.0219290054	-0.8586810791	-1.0761190675	-0.373592
+C	 2.97854886	-1.4092552592	-0.1736372641	 0.389646
+C	 4.1568824887	-0.5296808589	 0.3606277186	-0.279934
+C	 3.6876238874	-1.4016726706	 1.532069247	-0.143565
+C	 3.6562217484	-2.641000543	 0.4951846754	-0.30919
+C	 2.1940225544	-1.1388754258	 1.0842526802	 0.266981
+O	 1.2703024473	-2.1230796746	 1.4950680622	-0.447889
+H	-0.3563794908	 0.5654512182	 0.9539219315	 0.11094
+H	-0.3452177295	 0.4852166093	-0.8174189965	 0.127843
+H	-0.4394751351	-1.0146445898	 0.1394358297	 0.145144
+H	 1.9449147106	 0.9115403855	 0.0945084263	 0.089928
+H	 5.1417613565	-0.7589305264	-0.0487437407	 0.098277
+H	 3.9986877407	 0.5451998628	 0.4455910528	 0.097971
+H	 4.109957976	-1.4400320113	 2.5383610626	 0.078715
+H	 4.6314211441	-2.9625834207	 0.1210526951	 0.098557
+H	 3.0075339597	-3.4703766606	 0.763753042	 0.130233
+H	 1.0466115804	-1.9384041738	 2.4118907623	 0.286427
+19
+0 3923	2.6090535	1.7244291	1.4708083	1.2981	76.58	-0.20751	0.06127	0.26878	976.0118	0.156537	-422.443892	-422.43595	-422.435006	-422.475506	32.376
+O	 0.33635476	 0.1411081707	-0.1586579628	-0.414106
+C	-0.744331643	 0.3456484235	 0.7157351315	 0.048932
+C	-2.1418302267	 0.1704936996	-0.0124284109	-0.349148
+C	-2.2563581794	-1.1843622928	 0.7099681976	 0.246456
+C	-2.8586401823	-2.1826995163	 1.744329333	-0.341081
+C	-1.2587234017	-2.3315022785	 1.8405438475	-0.172077
+C	-1.2689166525	-2.3254734193	 0.2996613586	-0.246026
+C	-1.2139435313	-0.7716900025	 1.7690137722	 0.371549
+O	-1.5695341182	-0.0375161668	 2.9199739209	-0.484761
+H	 1.1486093852	 0.2158518888	 0.3534204253	 0.286988
+H	-0.6465239291	 1.2968661089	 1.2522932143	 0.090957
+H	-2.8506564586	 0.927042623	 0.3313618069	 0.116552
+H	-2.1114032489	 0.1589764533	-1.1043813762	 0.109835
+H	-3.3856179711	-1.7530062378	 2.599466027	 0.088405
+H	-3.3888911051	-3.0641059565	 1.3702273083	 0.097161
+H	-0.7205087029	-3.0240918894	 2.4987808832	 0.061606
+H	-0.3492487536	-2.033764408	-0.2019172048	 0.120972
+H	-1.73961291	-3.1884672808	-0.1778901065	 0.086545
+H	-1.9533896306	-0.6373730791	 3.5665111749	 0.281241
+19
+0 3924	3.5861754	1.4502035	1.2831468	0.4468	75.53	-0.24097	0.06192	0.30289	1044.7459	0.157744	-422.483707	-422.476439	-422.475495	-422.514958	29.746
+C	 0.1699651988	-0.4196585554	-0.1538533936	-0.411904
+C	 1.1790684026	 0.6167606149	 0.2735630113	 0.049119
+O	 2.5396217779	 0.0399091865	 0.443970098	-0.375071
+C	 2.7255416133	 0.9205763878	 1.55906125	 0.404795
+C	 3.2444550608	 1.0207475446	 3.0163113084	-0.332829
+C	 2.5792518064	 2.4510497063	 2.7905516716	 0.094282
+C	 3.1580434607	 2.4056298272	 1.3672166505	-0.287634
+O	 1.1526570601	 2.2505951651	 2.5286656233	-0.299823
+C	 1.2493138557	 1.0343262193	 1.785189592	 0.075825
+H	 0.1244554645	-1.2387729174	 0.569757108	 0.125564
+H	-0.823256178	 0.0348839683	-0.2349562572	 0.125839
+H	 0.4363730605	-0.837930324	-1.1291618109	 0.132469
+H	 1.2233331272	 1.4587354802	-0.4256920358	 0.090374
+H	 2.8073897147	 0.349607908	 3.7578779306	 0.10977
+H	 4.3228006528	 1.1209182352	 3.1522704041	 0.110631
+H	 2.721806475	 3.2701796058	 3.4906995609	 0.09546
+H	 2.6554945799	 3.0206843342	 0.6198950998	 0.105779
+H	 4.2424416312	 2.5184713116	 1.3174950025	 0.104372
+H	 0.8249573559	 0.2113321917	 2.3723426364	 0.082981
+19
+0 3925	3.5060854	1.423423	1.248002	1.1408	75.31	-0.23323	0.07661	0.30984	1043.526	0.15845	-422.4998	-422.492581	-422.491637	-422.530954	29.882
+O	 0.4687069832	 0.3850126274	 0.6479243655	-0.42805
+C	-0.8885260052	 0.6320528591	 0.903717829	 0.063758
+C	-1.8598830377	-0.0857114006	-0.1057636598	-0.37981
+C	-2.7431265098	 1.1759068243	-0.0070663028	 0.276252
+C	-3.57531916	 2.2852969567	-0.7102422909	-0.336449
+C	-3.4734697874	 2.8801664206	 0.7507631396	 0.105585
+C	-3.6386310633	 1.4346629467	 1.250799192	-0.261622
+O	-2.0638432572	 3.1274163197	 1.0148168864	-0.303061
+C	-1.510459242	 1.9732388765	 0.3723464674	 0.098671
+H	 0.9919914713	 0.8533619364	 1.3066471743	 0.285682
+H	-1.1582232424	 0.415028502	 1.9437039911	 0.080953
+H	-1.3591580976	-0.1964712714	-1.0712038789	 0.122118
+H	-2.2925052716	-1.0407031159	 0.1955852455	 0.107996
+H	-3.0970303944	 2.8339962302	-1.5248869785	 0.103374
+H	-4.6065027156	 2.0278682299	-0.9612832992	 0.102107
+H	-4.0673930371	 3.7260547951	 1.0925290014	 0.083554
+H	-3.2542537079	 1.217253072	 2.248856608	 0.10054
+H	-4.6446908811	 1.028627355	 1.1226065782	 0.098204
+H	-0.9019457442	 2.2798987764	-0.4888196384	 0.080197
+19
+0 3926	3.5193402	1.3948158	1.2222286	2.6463	75.09	-0.23475	0.07098	0.30573	1055.236	0.158267	-422.498002	-422.490681	-422.489737	-422.529282	30.105
+O	 0.3075618611	-0.1393044559	 0.3933394148	-0.423228
+C	-0.9050596087	 0.4256954017	 0.8164834727	 0.074024
+C	-2.0770429141	 0.2178249228	-0.2206787421	-0.377503
+C	-2.5368073329	 1.6043690453	 0.2307401588	 0.433717
+C	-3.3896401204	 1.8576351829	 1.4919112164	-0.272115
+C	-2.9658133077	 3.2766275145	 1.0935621311	 0.067424
+C	-1.4304386858	 3.24512362	 1.4533594727	-0.309194
+C	-1.1181940848	 1.972456549	 0.6259850931	-0.018722
+O	-3.0718071871	 2.8486614194	-0.3219967637	-0.354755
+H	 0.9810171736	 0.0651412067	 1.0503623068	 0.283909
+H	-1.1932689861	 0.0700604606	 1.8144749706	 0.074151
+H	-1.653162581	 0.2086659044	-1.2279001052	 0.13098
+H	-2.7533322281	-0.628318534	-0.0870397772	 0.105975
+H	-4.4454112783	 1.6658166231	 1.2967439649	 0.108969
+H	-3.0766367325	 1.4538866013	 2.4589064571	 0.092501
+H	-3.5451865278	 4.172948594	 1.3121564471	 0.082104
+H	-0.8829278572	 4.118390944	 1.0931326662	 0.106904
+H	-1.2934517418	 3.1730171578	 2.5363230096	 0.102489
+H	-0.5623763105	 2.2255473823	-0.2817329336	 0.09237
+19
+0 3927	3.9453923	1.2887135	1.2261186	2.7342	76.91	-0.2374	0.06182	0.29922	1090.0196	0.156262	-422.438307	-422.430522	-422.429577	-422.469972	31.526
+C	-0.0235466841	 0.0616431064	 0.2101986236	-0.427126
+C	 1.4815448405	-0.0062237291	 0.0538924402	-0.068652
+C	 2.3757800673	-0.3782377772	 1.3229175983	 0.006596
+O	 2.0372933885	 0.9277330243	 1.902638026	-0.356917
+C	 2.4030116656	 1.1861775756	 0.4531642112	 0.360459
+C	 3.2682006113	 2.4448023303	 0.4005468104	-0.36895
+C	 4.3893615768	 1.5531068949	 1.1240931491	 0.116356
+O	 4.5766570958	 1.7686187312	 2.4859079234	-0.425216
+C	 3.6067627086	 0.2540526939	 0.6363326685	-0.076109
+H	-0.2886629187	 0.5398732325	 1.1550598819	 0.139093
+H	-0.4716184792	 0.6340540965	-0.6087724127	 0.121447
+H	-0.4611034318	-0.9422402224	 0.1869375174	 0.117551
+H	 1.7906377267	-0.494826361	-0.8756107412	 0.079828
+H	 2.2749602402	-1.253804145	 1.9708971202	 0.09395
+H	 3.5643454607	 2.7148543754	-0.6164497532	 0.113145
+H	 2.905579818	 3.3241143728	 0.9379742463	 0.118837
+H	 5.3693877165	 1.6341819967	 0.6479093715	 0.091942
+H	 3.7099718172	 1.6001083277	 2.8824181734	 0.286968
+H	 4.0313947497	-0.2501061837	-0.2335198744	 0.076799
+19
+0 3928	4.4019472	1.1448806	1.1000333	1.8965	77.09	-0.23813	0.07121	0.30934	1169.5171	0.156082	-422.443125	-422.435258	-422.434314	-422.474976	31.625
+C	 2.3169917668	-1.1081891729	-1.1415790626	-0.416713
+C	 1.8253348272	-0.2325167076	-0.001296781	 0.013323
+C	 2.4218070331	 1.2355768575	 0.0881812717	-0.349119
+C	 2.5298722327	 0.977640737	 1.5948009894	 0.311442
+O	 1.1333459043	 0.9476359251	 2.1923967543	-0.367623
+C	 1.8424462695	-0.191927076	 2.7845446721	-0.038511
+C	 3.0648794118	 0.8125191977	 3.0584526215	 0.094517
+O	 2.8805986494	 1.8045780946	 3.9938401863	-0.433193
+C	 2.4522598648	-0.5419547186	 1.4176239008	-0.049024
+H	 1.9379120378	-2.1312092916	-1.0417039083	 0.1204
+H	 1.9811935148	-0.7186088246	-2.1087764341	 0.118555
+H	 3.4117105011	-1.1586999186	-1.1665011403	 0.111931
+H	 0.7369639062	-0.2036659868	 0.0278897887	 0.101819
+H	 3.4029701739	 1.2987896555	-0.3922263193	 0.111487
+H	 1.7970849521	 2.074649913	-0.2255913347	 0.116371
+H	 1.3005039422	-0.7902515644	 3.522803148	 0.090917
+H	 4.0666189982	 0.3910019962	 3.168796387	 0.096823
+H	 1.9810233859	 2.1295865088	 3.8346905573	 0.289978
+H	 3.3798495981	-1.1186747743	 1.3979537431	 0.076619
+19
+0 3929	2.9951874	1.3937571	1.2201663	2.0582	76.55	-0.24313	0.05849	0.30162	1097.4344	0.156069	-422.431099	-422.423167	-422.422223	-422.462967	31.946
+C	-0.0051756845	 0.1436459137	-0.0092049469	-0.404942
+C	 1.499911222	 0.0376115317	 0.0363472256	 0.077681
+O	 2.0157272335	-0.8312631165	-1.0671777208	-0.368583
+C	 2.8953771344	-1.3901968013	-0.0879555184	 0.368868
+C	 4.1270215274	-0.5729600429	 0.4206401418	-0.278048
+C	 3.5389966877	-1.2728288323	 1.6475645313	-0.140803
+C	 3.4682458502	-2.6132119215	 0.7170533191	 0.087602
+O	 2.6988084596	-3.7069463703	 1.0603437262	-0.426872
+C	 2.0922661106	-0.9479193021	 1.1160182321	-0.116094
+H	-0.3626986895	 0.7717634529	 0.8137077383	 0.123361
+H	-0.3260323504	 0.5923447665	-0.9540458909	 0.133898
+H	-0.4680301203	-0.8440428009	 0.0732358971	 0.121865
+H	 1.9716675661	 1.0212509768	-0.0328349509	 0.095158
+H	 5.1126616238	-0.9000222022	 0.0824273465	 0.096234
+H	 4.0319510225	 0.5108311591	 0.3898299033	 0.106214
+H	 3.9153560537	-1.2486387508	 2.6706616888	 0.086266
+H	 4.4476463349	-2.9985048884	 0.4191900543	 0.096335
+H	 1.788869295	-3.4227061143	 1.2057160471	 0.288033
+H	 1.2983604334	-1.612986707	 1.4692789667	 0.053828
+19
+0 3930	3.4580942	1.223468	1.1451735	2.4662	76.66	-0.24334	0.06659	0.30993	1128.7515	0.156857	-422.445622	-422.437672	-422.436728	-422.477491	32.093
+O	-4.7478639653	 0.8246190778	-1.1681646375	-0.431631
+C	-3.4151443434	 0.6617068308	-0.7808681873	 0.107332
+C	-2.8345529922	-0.8202879787	-0.6419303208	-0.377894
+C	-2.0748498128	-0.2807141107	 0.5849009091	 0.23358
+C	-1.8081905202	-0.1986884881	 2.1268681005	-0.347552
+C	-1.8135209605	 1.3067379883	 1.5982309727	-0.136875
+C	-0.9589241608	 0.8202463475	 0.407819921	 0.178036
+O	 0.3984244519	 0.5086529244	 0.5450762594	-0.457183
+C	-3.0675560311	 0.8637165097	 0.7516166171	-0.050372
+H	-5.3021378468	 0.3162303255	-0.565931919	 0.278555
+H	-2.8322230559	 1.2617543442	-1.4793372353	 0.109167
+H	-3.6413714006	-1.5146899545	-0.3815154903	 0.098463
+H	-2.2598142287	-1.23090063	-1.4763209036	 0.10969
+H	-2.6451892825	-0.4815854591	 2.7698995282	 0.103934
+H	-0.8733068842	-0.5872623937	 2.5468084766	 0.081105
+H	-1.6647117602	 2.2003941301	 2.2105181842	 0.074773
+H	-1.0175302471	 1.4328134487	-0.4915167371	 0.085631
+H	 0.5263754282	-0.0344958886	 1.328794995	 0.281873
+H	-3.947502238	 0.6175491665	 1.358237787	 0.059369
+19
+0 3931	3.6345787	1.3778683	1.3315029	1.4438	74.98	-0.24585	0.06458	0.31043	1042.0257	0.158051	-422.481442	-422.47421	-422.473265	-422.512633	29.626
+C	 0.1514292027	-0.3176047421	-0.3886622979	-0.406928
+C	 0.821900049	 0.6290653716	 0.5788240055	 0.072838
+O	 2.2030301928	 0.9553754157	 0.141276226	-0.361633
+C	 2.6140549057	 0.7649953231	 1.4811457952	 0.401037
+C	 2.2388204931	 1.8782324983	 2.5398166741	-0.294342
+C	 1.7540676731	 0.6241140598	 3.2626271656	 0.051267
+O	 3.0265419384	-0.0895333535	 3.4743997291	-0.294152
+C	 3.7335027346	 0.0335767242	 2.1969734704	-0.153501
+C	 1.3512819122	-0.0052150856	 1.9111324778	-0.085772
+H	-0.8530713013	-0.5687700076	-0.0314319484	 0.12343
+H	 0.0628303757	 0.1462578183	-1.3755823888	 0.131854
+H	 0.7289914051	-1.240337006	-0.4922084721	 0.127167
+H	 0.2434192943	 1.551802502	 0.6901009553	 0.090298
+H	 3.0475325509	 2.43521011	 3.0147805033	 0.10334
+H	 1.4540269818	 2.5449903292	 2.1865552935	 0.110534
+H	 1.197782171	 0.5912528798	 4.1979090009	 0.080285
+H	 4.662770173	 0.5937748197	 2.342792553	 0.106054
+H	 3.9519743661	-0.9574141699	 1.7881838964	 0.110727
+H	 1.3560550818	-1.0960682369	 1.8834418112	 0.087498
+19
+0 3932	3.567709	1.3669262	1.2860278	2.5146	75.13	-0.22528	0.06987	0.29515	1043.8423	0.158303	-422.491077	-422.483854	-422.48291	-422.522204	29.927
+O	 0.2744669312	-0.0774695466	 0.2997106096	-0.427485
+C	-0.9127434849	 0.4518602593	 0.833963663	 0.076263
+C	-2.1414986765	 0.1774803802	-0.1088819666	-0.345398
+C	-2.5332744316	 1.6214949808	 0.1736526953	 0.458472
+C	-2.9936552485	 2.0074870129	 1.6220970293	-0.284698
+C	-1.8995726249	 3.0820623978	 1.3958263577	-0.128529
+C	-2.5595106934	 3.7961627566	 0.1667799647	-0.083037
+O	-3.0589835481	 2.6667072549	-0.6245190915	-0.34285
+C	-1.1075416877	 2.0103131106	 0.5992957964	-0.068659
+H	 1.0033505736	 0.1870925305	 0.8711560274	 0.283006
+H	-1.0748887754	 0.1078447846	 1.8619945113	 0.074967
+H	-1.7719383306	 0.0372355149	-1.128057115	 0.128793
+H	-2.8368946163	-0.6225553778	 0.1543246082	 0.102698
+H	-4.0297913388	 2.3403057865	 1.717641393	 0.097405
+H	-2.7526926474	 1.2792563083	 2.3952056842	 0.104024
+H	-1.509378206	 3.7394337115	 2.1758582258	 0.06587
+H	-3.3981327243	 4.4354830622	 0.4606468105	 0.106714
+H	-1.8515506543	 4.3752513976	-0.4363625293	 0.104565
+H	-0.4154850561	 2.342663685	-0.178879984	 0.077879
+19
+0 3933	3.5787448	1.3407093	1.2706733	1.6294	75.04	-0.23821	0.07345	0.31166	1050.327	0.158613	-422.494794	-422.487568	-422.486623	-422.525965	29.815
+O	 0.3049181747	-0.0951096125	 0.3661995704	-0.431673
+C	-0.8897756198	 0.4597011723	 0.8581768938	 0.086808
+C	-2.1059495925	 0.1465633606	-0.0731553361	-0.344794
+C	-2.5289102362	 1.6091677936	 0.1032155319	 0.270579
+C	-3.0018292043	 2.0549086645	 1.543182043	-0.272161
+C	-1.8857451212	 3.079886072	 1.3203378653	 0.063501
+O	-2.4133056518	 3.8463696148	 0.192686491	-0.293213
+C	-2.941013391	 2.8191290085	-0.708919721	-0.164174
+C	-1.0849707773	 2.0012668852	 0.5671053783	-0.055148
+H	 1.0239648649	 0.1739581801	 0.9477330651	 0.283086
+H	-1.0607564633	 0.1662284804	 1.90077518	 0.074429
+H	-1.7337761906	-0.0632838194	-1.0802509265	 0.121157
+H	-2.8019750231	-0.6387086393	 0.2312858719	 0.101298
+H	-4.0159069737	 2.4491607549	 1.6400911026	 0.100151
+H	-2.8029436563	 1.314888069	 2.3174170519	 0.103469
+H	-1.5110943389	 3.7904393811	 2.0578503095	 0.070976
+H	-4.0190564674	 2.9702667334	-0.8368614292	 0.098182
+H	-2.4441111912	 2.8872829653	-1.682431927	 0.103803
+H	-0.370039911	 2.3499346456	-0.1818275949	 0.083723
+19
+0 3934	3.6750184	1.3573487	1.2707172	1.6526	75.01	-0.23824	0.07479	0.31303000000000003	1053.2903	0.158211	-422.509632	-422.502285	-422.501341	-422.540951	30.067
+O	 0.3682184578	-0.1668990348	 0.3063983104	-0.433557
+C	-0.7794894799	 0.4406713542	 0.8504533766	 0.112375
+C	-2.0433648664	 0.1643280831	-0.0272699041	-0.350278
+C	-2.365309988	 1.6458744428	 0.1134852847	 0.428091
+C	-2.9336050427	 2.8532662722	-0.6191714958	-0.313654
+C	-2.3685447158	 3.9144966891	 0.4067643854	-0.210646
+C	-1.7370188466	 2.931222935	 1.444881742	 0.040648
+O	-2.7830907747	 1.9195212279	 1.5109858695	-0.343508
+C	-0.9221416547	 1.9889456621	 0.5567954728	-0.090765
+H	 1.1145627688	 0.0331327407	 0.8808370207	 0.282584
+H	-0.9254075491	 0.1776794556	 1.9023405616	 0.085283
+H	-1.7276265074	-0.0947773442	-1.042010408	 0.119155
+H	-2.7828914315	-0.5521355282	 0.3350530924	 0.11073
+H	-2.5272489169	 2.9711014627	-1.6267249794	 0.102824
+H	-4.0245787383	 2.860667201	-0.6704790435	 0.109128
+H	-1.6414656792	 4.5973599402	-0.041937156	 0.098399
+H	-3.1612176458	 4.5033913409	 0.8726839839	 0.109058
+H	-1.4325433504	 3.3364393478	 2.412734152	 0.071561
+H	-0.1788660491	 2.3717855022	-0.1458566855	 0.072573
+19
+0 3935	2.6034626	1.7935107	1.5370911	1.1757	73.59	-0.22414	0.07146	0.2956	963.6273	0.157205	-422.500034	-422.492253	-422.491308	-422.531892	30.61
+C	 2.6492362637	-0.9919707807	-1.0664175409	-0.406083
+C	 1.7667481568	-0.0551587808	-0.2549954535	-0.045405
+C	 2.3221618494	 1.4113775125	-0.0757101463	-0.309534
+C	 2.3464311194	 1.1838892378	 1.4454645433	 0.302349
+C	 1.0279926788	 0.7786785808	 2.0579627193	-0.378419
+C	 1.8518172357	-0.2188768966	 1.2839374218	 0.300007
+O	 2.7295104346	-1.0486561033	 1.9918801683	-0.29097
+C	 3.8873473055	-0.2438227201	 2.2504761698	-0.000053
+O	 3.4827100734	 1.1277873559	 2.2621825005	-0.289512
+H	 3.684741412	-0.9803567091	-0.7111467407	 0.118848
+H	 2.2908932966	-2.0239874923	-1.0019328632	 0.127079
+H	 2.6526465464	-0.6961060399	-2.1205338247	 0.116717
+H	 0.7375100716	-0.1021923013	-0.6272501953	 0.073969
+H	 3.3308299193	 1.511230042	-0.4842694	 0.112754
+H	 1.707922836	 2.2413616183	-0.437524913	 0.101743
+H	 1.0528421932	 0.6533198493	 3.1331899311	 0.131392
+H	 0.0920140445	 1.1511798067	 1.6486462204	 0.113046
+H	 4.2889740747	-0.5044193964	 3.2335938342	 0.124407
+H	 4.6458861583	-0.4107618427	 1.4689440191	 0.097665
+19
+0 3936	3.5099678	1.4324714	1.2573904	2.555	74.63	-0.24685	0.06655	0.3134	1060.4891	0.157375	-422.51102	-422.503179	-422.502234	-422.542975	30.511
+C	 0.9155547544	 0.7745106127	-1.1197514887	-0.403923
+C	 1.6934480757	 0.1612080644	 0.0336159167	-0.046641
+C	 3.2159935782	-0.195372555	-0.1829789147	-0.321377
+C	 2.8698590351	-1.6591019453	 0.1478470177	 0.273322
+C	 3.2444497965	-2.6693180824	 1.1973371177	-0.157221
+O	 1.9891069283	-3.1370770143	 1.7103591086	-0.260971
+C	 0.959696405	-2.1583164494	 1.5021281927	-0.160557
+C	 1.449731764	-1.3387491718	 0.3399422268	 0.26199
+O	 1.8832881164	-2.1113841677	-0.7823675337	-0.291121
+H	 0.9964376086	 0.1431772867	-2.0090188383	 0.13634
+H	-0.1458948536	 0.8794748931	-0.8703590477	 0.116582
+H	 1.3020655497	 1.7685548972	-1.3680776246	 0.11411
+H	 1.5752857309	 0.7535927252	 0.9461995981	 0.082358
+H	 3.6212234458	-0.0351913028	-1.184759389	 0.113689
+H	 3.8708706851	 0.2740363196	 0.554235579	 0.110946
+H	 3.7850221531	-3.5477968687	 0.8324746683	 0.120785
+H	 3.8499059577	-2.1814294678	 1.9780163296	 0.095857
+H	 0.0298777509	-2.7088082631	 1.3309460768	 0.120434
+H	 0.8289813483	-1.5090203306	 2.3826539047	 0.095397
+19
+0 3937	2.7563759	1.671374	1.4809983	1.3685	73.83	-0.23308	0.05871	0.29179	981.0498	0.157941	-422.506631	-422.499018	-422.498074	-422.538265	30.251
+C	 0.4174644477	 0.583021046	 0.0464607712	-0.405672
+C	 0.8760440077	-0.8483246363	-0.1282906	 0.083917
+O	 1.9623089367	-0.9468292426	-1.1116955535	-0.337725
+C	 2.825952486	-1.4635355333	-0.0954141032	 0.350937
+C	 2.363252965	-2.7634699582	 0.4694464611	-0.373006
+C	 1.7601342848	-1.4660136093	 0.9783442255	 0.106988
+C	 2.3988542341	-0.8047796596	 2.1746212566	-0.1554
+O	 3.8153390757	-0.7942817903	 1.89075392	-0.266499
+C	 4.0197538128	-0.7368661615	 0.4722264031	-0.154196
+H	-0.3582839684	 0.6455651627	 0.8176754314	 0.120363
+H	 1.2455328495	 1.2389763323	 0.3277920366	 0.127143
+H	-0.0019797053	 0.9507626206	-0.8945318714	 0.131939
+H	 0.0358531338	-1.4841697832	-0.434830588	 0.083833
+H	 1.7622957505	-3.4162741518	-0.154886566	 0.121967
+H	 3.0426933477	-3.260404579	 1.1536930449	 0.134561
+H	 2.0145811024	 0.2166540931	 2.3074637241	 0.099593
+H	 2.2859670746	-1.3399945178	 3.1222168956	 0.112928
+H	 4.0257313738	 0.2951542837	 0.0897790658	 0.103889
+H	 4.9957489409	-1.1923920155	 0.2810256063	 0.114439
+19
+0 3938	3.113416	1.521275	1.4096793	0.732	73.98	-0.2255	0.05605	0.28155	1017.6412	0.156939	-422.499931	-422.492054	-422.49111	-422.531943	30.871
+C	 0.1208916568	-0.2622684902	 0.29389396	-0.404903
+C	 1.4428375556	 0.3266884609	-0.1450944148	 0.077472
+O	 1.644792858	 1.7109117112	 0.307156326	-0.342698
+C	 2.9492975548	 1.3606214876	 0.7981098455	 0.337875
+C	 2.8989854347	 0.389712984	 1.942157387	-0.378375
+C	 2.7668212785	-0.0984799269	 0.5154262258	 0.244224
+O	 3.8746276353	-0.6128086044	-0.1441239194	-0.297155
+C	 4.5605740812	 0.5046788448	-0.7570744997	-0.087314
+C	 4.2353045311	 1.7666861181	 0.1089518486	-0.325511
+H	 0.0315249775	-0.2718390587	 1.3833742845	 0.122823
+H	-0.7105140809	 0.3218471723	-0.1133246018	 0.127272
+H	 0.0312667162	-1.2901291827	-0.0730632849	 0.125163
+H	 1.5430195274	 0.2854922555	-1.2376634815	 0.087536
+H	 3.8497376442	 0.1484378534	 2.4038678941	 0.128015
+H	 2.0421079738	 0.3965881448	 2.6083566663	 0.121421
+H	 5.6249653699	 0.2571054669	-0.7975168676	 0.113028
+H	 4.1991363337	 0.6415169702	-1.7854880937	 0.106604
+H	 5.0350636823	 1.9764908332	 0.8242894574	 0.117168
+H	 4.0901715398	 2.65492598	-0.5093945919	 0.127355
+19
+0 3939	3.3274118	1.4331642	1.2899365	1.4005	73.67	-0.21904	0.06777	0.28681	1038.4785	0.158019	-422.516052	-422.508244	-422.5073	-422.547943	30.95
+O	 0.4113466964	-0.0770106489	 0.2502637267	-0.427672
+C	-0.8142894945	 0.433000328	 0.7100975656	 0.0873
+C	-2.1598504606	 0.0400028093	-0.016038784	-0.344294
+C	-2.4529604382	 1.5365415622	-0.1345128201	 0.392888
+C	-1.4248172151	 2.2682695828	-0.9348326525	-0.412965
+C	-1.1425520187	 1.9269586477	 0.5236369813	 0.162037
+C	-1.5188342901	 2.9407251121	 1.58140172	-0.324734
+C	-2.9996442664	 3.2920307928	 1.206166013	-0.097656
+O	-3.5324639408	 2.1974106042	 0.4376297849	-0.292029
+H	 0.5778839269	 0.2863451177	-0.6258221898	 0.280537
+H	-0.8647316322	 0.1625633539	 1.7680984743	 0.09638
+H	-2.0688446661	-0.5088058555	-0.9583310207	 0.098197
+H	-2.853045468	-0.4868576144	 0.6414847083	 0.116186
+H	-0.8896392672	 1.7624768785	-1.7355090822	 0.101105
+H	-1.6174956218	 3.3150462893	-1.140141079	 0.124768
+H	-1.4723881229	 2.4717509084	 2.5697663866	 0.111782
+H	-0.9030385379	 3.844686506	 1.6145711102	 0.108043
+H	-3.6471148265	 3.4343894423	 2.0759036024	 0.115108
+H	-3.0329859365	 4.2124150938	 0.6080437851	 0.105019
+19
+0 3940	3.3372342	1.4191211	1.2718764	1.1638	73.97	-0.24047	0.0665	0.30696999999999997	1041.2289	0.158509	-422.523174	-422.515453	-422.514509	-422.554971	30.57
+O	 0.3780601015	-0.111223154	 0.3463371648	-0.426864
+C	-0.87703656	 0.3953438128	 0.7227928671	 0.085429
+C	-2.158897087	 0.0518595148	-0.1181182822	-0.34195
+C	-2.4745958063	 1.5565653572	-0.185209012	 0.235907
+C	-1.3755910357	 2.3029475408	-0.8738691097	-0.378711
+C	-1.1720805199	 1.8961680432	 0.5633498405	 0.177895
+C	-1.5565623294	 2.9009351662	 1.6225446001	-0.159117
+O	-2.849139621	 3.3877467209	 1.2198723015	-0.261413
+C	-3.5498736729	 2.3533406926	 0.5135660944	-0.15714
+H	 0.6101675537	 0.2684370018	-0.5076189605	 0.280289
+H	-1.0136710922	 0.0916977426	 1.7645004594	 0.095751
+H	-1.9814231667	-0.4324041735	-1.083531036	 0.099793
+H	-2.8907262781	-0.53799978	 0.4384757353	 0.108326
+H	-0.8205430197	 1.8152925923	-1.6715562599	 0.100924
+H	-1.5353162446	 3.3644380272	-1.0294517676	 0.135203
+H	-1.6028647264	 2.4087930318	 2.607388108	 0.092589
+H	-0.9121429148	 3.7815734074	 1.7066169062	 0.110552
+H	-4.1093370745	 1.7005308051	 1.20358169	 0.090951
+H	-4.268135176	 2.8611320509	-0.1380027893	 0.111589
+19
+0 3941	3.2699467	1.4698231	1.3070898	1.3276	73.96	-0.21733	0.07169	0.28902	1031.8547	0.158015	-422.516866	-422.509084	-422.50814	-422.548738	30.874
+O	 0.3361401705	 0.4166490506	 0.0181801662	-0.429864
+C	-0.8986831782	 0.4362893619	 0.6942435166	 0.066039
+C	-2.1021404044	-0.0492839666	-0.173008693	-0.308292
+C	-2.4434036485	-1.0877148203	 0.9175452792	 0.20965
+C	-1.2864676402	-2.0469174512	 1.1107997867	-0.397423
+C	-1.2157994078	-0.6729833826	 1.7063439883	 0.320347
+O	-1.5076955237	-0.457674015	 3.0510872946	-0.295363
+C	-2.8128661966	-1.0163131576	 3.2926103555	-0.097134
+C	-3.5711736747	-1.0636020271	 1.925733388	-0.320922
+H	 1.0338950776	 0.5767118414	 0.6627971217	 0.282958
+H	-1.1030656669	 1.4145669303	 1.1497778784	 0.077434
+H	-2.8663926547	 0.7172260849	-0.3151083194	 0.105019
+H	-1.8236654062	-0.4622386906	-1.1463384113	 0.110257
+H	-1.4359173715	-2.855810991	 1.8169348774	 0.11927
+H	-0.6611961844	-2.3003748112	 0.260005414	 0.12401
+H	-2.7086536547	-2.0279119301	 3.7072621325	 0.10423
+H	-3.3098834186	-0.3961298229	 4.0441616064	 0.11281
+H	-4.2562584987	-1.9165396401	 1.8914664049	 0.107985
+H	-4.1665654882	-0.155450073	 1.7840139832	 0.10899
+19
+0 3942	3.440985	1.4433799	1.2490581	2.2854	74.21	-0.24972	0.0791	0.32882	1053.367	0.158306	-422.531732	-422.524099	-422.523155	-422.563448	30.58
+O	 0.390564352	-0.1244723522	 0.3907183956	-0.431637
+C	-0.43873071	 0.7321052219	 1.1201930638	 0.06685
+C	-1.5102442992	 0.1010412191	 2.1066288589	-0.353407
+C	-2.5942305525	 0.7800304178	 1.2594632639	 0.333865
+C	-3.7634989993	 1.7106989739	 1.4516940046	-0.316493
+C	-3.6016930444	 2.7070507903	 0.258002747	-0.206727
+C	-2.0783208888	 2.7488556564	-0.095564997	-0.32836
+C	-1.6115168769	 1.391423245	 0.3576490685	 0.296567
+O	-2.4357166738	 0.2972363835	-0.0881469887	-0.325056
+H	-0.1987195927	-0.6627733887	-0.1531202824	 0.288284
+H	 0.2058292354	 1.4554715657	 1.625444985	 0.096693
+H	-1.5443756973	-0.9904046317	 2.1465756864	 0.106513
+H	-1.4281857	 0.502609151	 3.1197854981	 0.108469
+H	-4.74279917	 1.2227718001	 1.4506522669	 0.111511
+H	-3.6526926191	 2.223223699	 2.4148689737	 0.106653
+H	-4.1587520282	 2.3303904845	-0.6020539982	 0.124475
+H	-3.9952245057	 3.6986643349	 0.4952620562	 0.10153
+H	-1.9076132157	 2.9639309983	-1.1545006685	 0.113077
+H	-1.555941204	 3.5184955714	 0.4853168961	 0.107195
+19
+0 3943	3.4718399	1.3949881	1.3449731	1.2012	74.	-0.22512	0.054	0.27912	1043.8028	0.157008	-422.498785	-422.491022	-422.490078	-422.530754	30.746
+C	 0.4578688174	 0.876090404	-0.1916781595	-0.401179
+C	 0.9847104593	-0.5194876994	 0.0822764811	 0.137298
+C	 2.1883163444	-0.6062621625	 1.0846054799	-0.338271
+C	 3.0265779704	-1.722140607	 0.5049270545	 0.337216
+C	 3.8939640263	-1.5587999473	-0.7103327362	-0.369402
+C	 2.4563597397	-2.0070767606	-0.8527399288	 0.253169
+C	 2.2409722768	-3.4265240548	-0.3164706533	-0.148144
+O	 2.9198236155	-3.0925527922	 0.9331654796	-0.325964
+O	 1.4671136182	-1.0904776632	-1.1680605136	-0.307289
+H	 0.0516621954	 1.3161297595	 0.7244634911	 0.119831
+H	 1.2594452724	 1.5221127378	-0.5636161382	 0.121915
+H	-0.3382115848	 0.8483294544	-0.9405431971	 0.13102
+H	 0.1684121114	-1.1562643668	 0.4546887155	 0.081924
+H	 2.7331281079	 0.3425990686	 1.1194143872	 0.111028
+H	 1.8522501859	-0.8430796761	 2.0963713961	 0.125659
+H	 4.0790702766	-0.5395344426	-1.02971355	 0.127214
+H	 4.7035347253	-2.2620997535	-0.8813722308	 0.121714
+H	 1.1839215237	-3.6581473103	-0.1437611436	 0.113257
+H	 2.7248611081	-4.2581651283	-0.8409831439	 0.109002
+19
+0 3944	2.8963748	1.6406604	1.5639367	0.9758	73.67	-0.22088	0.07516	0.29603999999999997	969.4574	0.156675	-422.50481	-422.496987	-422.496043	-422.53693	30.958
+C	 0.0859827692	 0.1456389722	 0.3282232859	-0.391751
+C	 1.5692194454	 0.1033856323	 0.0034305354	 0.186092
+O	 2.1487508162	 1.4254295082	-0.0016872069	-0.302357
+C	 2.9049312155	 1.5437840778	 1.1639410128	 0.302973
+C	 4.2436481799	 0.8472859799	 1.2300946512	-0.378525
+C	 3.0007557053	 0.186562339	 1.7780993909	 0.302973
+C	 2.5438453004	 0.728726024	 3.1462158845	-0.288308
+C	 2.4428014402	 2.1597896204	 2.4986403115	-0.288308
+O	 2.2985558801	-0.6964016847	 0.9584691467	-0.302358
+H	-0.0798487498	 0.5815715485	 1.3174850765	 0.121413
+H	-0.4413134418	 0.750122461	-0.4151398313	 0.128595
+H	-0.3271536568	-0.8668885787	 0.3165557974	 0.128595
+H	 1.7448648411	-0.3322693187	-0.9867176763	 0.097285
+H	 4.5932872947	 0.4453558169	 0.2873270382	 0.129463
+H	 5.0181542252	 1.2065446631	 1.9031736266	 0.112162
+H	 1.5718859719	 0.331177748	 3.4427974429	 0.116436
+H	 3.2475886808	 0.5986365832	 3.9733329889	 0.104592
+H	 1.4167803176	 2.5278971281	 2.4487505586	 0.116436
+H	 3.081867645	 2.9456885057	 2.9112618283	 0.104592
+19
+0 3945	3.4350609	1.3272038	1.2671439	1.8811	73.87	-0.22359	0.06303	0.28662	1062.09	0.157953	-422.513828	-422.506132	-422.505188	-422.545587	30.856
+O	 0.2151354108	-0.1174384717	 0.4920347235	-0.427781
+C	-1.0249811	 0.469621847	 0.840158674	 0.117634
+C	-2.1633057732	-0.2455188391	 0.0496539413	-0.302774
+C	-3.2273429921	 0.8136448713	-0.1222313275	 0.156338
+C	-3.6891230301	 1.6427032433	 1.0661213395	-0.378647
+C	-2.60318838	 2.1575578608	 0.178636863	 0.398191
+C	-1.1381708752	 1.9897166868	 0.4728087474	-0.3385
+O	-3.1329105761	 2.7808860449	-1.0024274012	-0.329537
+C	-3.687893028	 1.494657713	-1.4148631276	-0.141945
+H	 0.8848822046	 0.1971563974	 1.1068679376	 0.284999
+H	-1.2023485101	 0.3489762689	 1.919828852	 0.072237
+H	-1.7573074014	-0.5325069598	-0.9270710944	 0.117031
+H	-2.4838841153	-1.1619856107	 0.55409157	 0.104637
+H	-4.6592459749	 2.1277716708	 1.0253305692	 0.118939
+H	-3.4051882962	 1.2762860582	 2.0471020118	 0.117586
+H	-0.5685903401	 2.1654367063	-0.4456434659	 0.123129
+H	-0.7339724092	 2.6369129309	 1.258476105	 0.096577
+H	-4.7652826404	 1.5583259172	-1.608721239	 0.104513
+H	-3.1747249632	 1.1184690244	-2.3078989188	 0.107371
+19
+0 3946	3.6133765	1.3117604	1.2096951	1.3848	74.51	-0.24037	0.06865	0.30902	1087.26	0.157732	-422.526976	-422.51917	-422.518225	-422.558881	31.062
+O	 0.190409455	 0.3776524566	-0.0278438313	-0.429663
+C	-0.5957511839	 1.0149958275	 0.9650777386	 0.127355
+C	-1.9061694972	 1.5394257707	 0.2993996136	-0.33056
+C	-2.9089051612	 1.4371186149	 1.4125282433	 0.321468
+C	-4.3507553244	 0.9353136116	 1.6150914413	-0.298596
+C	-3.8050505072	 0.0031933407	 2.7649674796	-0.298143
+C	-2.4009216322	 0.5706640601	 2.4822274677	 0.326586
+C	-1.0347923196	 0.0552242205	 2.1298969375	-0.360411
+O	-2.4659014081	 1.9938431287	 2.6600358667	-0.310816
+H	 1.075660911	 0.2484293285	 0.3256891559	 0.284467
+H	-0.0525454427	 1.8649722086	 1.3948623558	 0.088186
+H	-1.7732641925	 2.5402577685	-0.1207550949	 0.111102
+H	-2.1772575296	 0.8629541889	-0.5191967581	 0.117424
+H	-5.0806964735	 1.6987270975	 1.8930514425	 0.110549
+H	-4.7298890655	 0.3636857396	 0.7648166307	 0.109344
+H	-4.1882015197	 0.1742148611	 3.7733989745	 0.110215
+H	-3.8979560743	-1.056611933	 2.5165515293	 0.108594
+H	-0.3135858908	 0.0512856667	 2.9539477318	 0.101369
+H	-1.1066837536	-0.9644736878	 1.7342752954	 0.11153
+19
+0 3947	2.6980184	1.6988971	1.521183	1.347	73.65	-0.23984	0.03526	0.2751	976.6775	0.156603	-422.466256	-422.45837	-422.457426	-422.498269	30.794
+C	 2.0825126265	-0.573010599	-1.3658624585	-0.397855
+C	 1.5454680052	 0.2295758792	-0.1914451275	-0.052451
+C	 1.7729327091	-0.3885580727	 1.2556733313	-0.32073
+C	 2.6361217117	 0.8510169552	 1.6051712219	 0.320686
+C	 4.1366113137	 0.9416786922	 1.2576987988	-0.151721
+O	 3.8063338606	 1.5117558015	-0.0603758437	-0.336309
+C	 2.402466758	 1.454851124	 0.2655183215	 0.310027
+C	 1.7955910792	 2.646170475	 1.0358708076	-0.154867
+O	 2.0447868182	 1.9586513797	 2.3144341123	-0.336039
+H	 1.5523963679	-1.5270596563	-1.4541086349	 0.113765
+H	 1.9585128084	-0.0269460618	-2.3067029181	 0.12206
+H	 3.1495794435	-0.7813301804	-1.245836646	 0.12816
+H	 0.5008872233	 0.5040280366	-0.3669344851	 0.078858
+H	 0.8713824647	-0.4708218495	 1.8647133636	 0.119731
+H	 2.3021917054	-1.3456181472	 1.2679741906	 0.105522
+H	 4.7096021514	 1.6425598181	 1.8729944448	 0.118805
+H	 4.6795270686	-0.0052133744	 1.1585276793	 0.107802
+H	 2.3597802263	 3.5809969109	 0.9571090173	 0.117414
+H	 0.7266462481	 2.8377023488	 0.8865884346	 0.107143
+19
+0 3948	2.6631439	1.7297515	1.5638214	1.1562	73.93	-0.23974	0.03861	0.27835	970.1472	0.156459	-422.471645	-422.463756	-422.462812	-422.50358	30.958
+C	 0.3586400928	 0.6019813315	-0.0339108749	-0.400427
+C	 0.9869196286	-0.770676795	-0.0888266677	 0.068663
+O	 1.9400478701	-0.9208889753	-1.2165896623	-0.354663
+C	 2.9867909312	-1.2751574417	-0.2952898526	 0.322442
+C	 3.2506577239	-2.7696982201	 0.040304832	-0.301795
+C	 2.4221222098	-2.5647661139	 1.3745609531	-0.306228
+C	 2.1277264312	-1.1134653376	 0.9074534938	 0.31337
+O	 2.9100763012	-0.0250208407	 1.4403927482	-0.33879
+C	 3.8304693587	-0.1263830709	 0.2937466114	-0.15233
+H	-0.3892895594	 0.6421305991	 0.76535433	 0.12089
+H	 1.1133191995	 1.3670657141	 0.1612458781	 0.134928
+H	-0.1386232128	 0.822918297	-0.9830795981	 0.126441
+H	 0.2210937595	-1.5546819958	-0.1526639084	 0.078837
+H	 2.7793026546	-3.4409023959	-0.6794030952	 0.123077
+H	 4.2956051861	-3.0616606932	 0.1676880323	 0.108974
+H	 1.5561264689	-3.2177490516	 1.5061365612	 0.10878
+H	 3.0278464639	-2.5892892128	 2.2818971999	 0.122444
+H	 3.8428294102	 0.7909269985	-0.3029027438	 0.117604
+H	 4.8459167421	-0.3789207658	 0.6204266731	 0.107784
+19
+0 3949	2.6333218	1.6545078	1.5238485	2.2957	73.86	-0.22696	0.06081	0.28776999999999997	977.579	0.156737	-422.47976	-422.471826	-422.470882	-422.511825	31.302
+O	 0.4446558547	 0.1005839992	 0.5980212058	-0.426782
+C	-0.7903964222	 0.7203507975	 0.3273366791	 0.046266
+C	-2.0775190865	-0.2048875211	 0.2904044876	-0.342724
+C	-2.2639503933	 0.2149917737	-1.1889507227	 0.398866
+C	-3.1098035366	 1.4257221466	-1.6618405219	-0.297701
+C	-1.7903500238	 2.2934420586	-1.6357976687	-0.304019
+C	-0.9921177079	 1.0398154714	-1.1774023227	 0.19995
+C	-0.4974586961	 0.0212281305	-2.2185473062	-0.155525
+O	-1.7795192609	-0.6967866627	-2.1930493051	-0.338866
+H	 0.4240694944	-0.2324715188	 1.5012780929	 0.286306
+H	-0.9361306694	 1.6095652734	 0.958479803	 0.067453
+H	-1.8410860906	-1.267161343	 0.3877295897	 0.115491
+H	-2.8758550646	 0.0613374418	 0.9884329541	 0.097578
+H	-3.5465555055	 1.2797463424	-2.6516143911	 0.117407
+H	-3.8950532622	 1.7509832846	-0.9741202824	 0.100956
+H	-1.486582937	 2.7092647879	-2.5999849009	 0.106991
+H	-1.8011099529	 3.1055459745	-0.903805314	 0.104679
+H	-0.2825129555	 0.4225465642	-3.2161787011	 0.100286
+H	 0.3288710758	-0.6166146907	-1.8905446853	 0.123387
+19
+0 3950	2.6330164	1.6753238	1.5395904	2.8823	74.05	-0.22577	0.0508	0.27657	973.7953	0.156549	-422.475114	-422.467093	-422.466149	-422.507479	31.303
+O	 0.6419961036	 0.3444949702	 0.6672307816	-0.417568
+C	-0.5926821937	 0.8224031002	 1.1306895747	 0.041053
+C	-1.3888012176	-0.0954460594	 2.1490652766	-0.344428
+C	-2.5222562755	-0.2506896538	 1.0966419211	 0.194132
+C	-3.7246499335	 0.7354345863	 1.0164258487	-0.297052
+C	-2.9293394574	 1.5993952564	-0.0400949577	-0.305111
+C	-1.7505909364	 0.6039272548	 0.1118914981	 0.41507
+O	-1.6219976681	-0.4452724444	-0.8562248557	-0.329296
+C	-2.372079033	-1.3474340614	 0.022328628	-0.144734
+H	 1.2821462899	 0.4314240866	 1.3811690708	 0.285433
+H	-0.5239351118	 1.8687098874	 1.4658281711	 0.063548
+H	-0.8627906308	-1.0258864371	 2.3824714543	 0.104074
+H	-1.6773086837	 0.3933197729	 3.0837145033	 0.098786
+H	-4.6611369368	 0.3013503739	 0.6562213269	 0.10613
+H	-3.9313748935	 1.256420186	 1.9548521847	 0.104502
+H	-3.3554547874	 1.6009448226	-1.0452382001	 0.117906
+H	-2.7227068408	 2.6312060077	 0.2574176064	 0.101206
+H	-3.2999925252	-1.6911411695	-0.4524835916	 0.100264
+H	-1.7698231584	-2.2183727194	 0.3084789787	 0.106084
+19
+0 3951	4.1626142	1.3824877	1.294588	2.4666	74.87	-0.24845	0.06478	0.31323	1037.8308	0.157963	-422.489147	-422.481873	-422.480929	-422.520383	29.485
+C	 3.3223538538	 1.5529417005	 0.5868525176	-0.413534
+C	 2.4849793618	 0.2804285148	 0.6560384002	 0.036465
+C	 2.2682698499	-0.4263003284	-0.7548090234	-0.34356
+C	 2.8453795651	-1.7583505101	-0.3104259675	 0.365414
+C	 2.9221759797	-3.2664604373	-0.4976622823	-0.177736
+O	 2.7586389162	-3.4265751133	 0.945506112	-0.297038
+C	 2.2924784961	-2.0612891389	 1.0870579273	 0.100855
+C	 3.2402869737	-0.8918059802	 1.3915643254	 0.005536
+O	 4.1134692182	-1.3420166644	 0.3284881752	-0.325282
+H	 3.4519521603	 1.9993642004	 1.5786835836	 0.113255
+H	 4.3124261882	 1.3299306511	 0.1780228743	 0.135368
+H	 2.8482499396	 2.301484326	-0.0563245342	 0.115655
+H	 1.5197319378	 0.4902288175	 1.1308889705	 0.074146
+H	 1.216952971	-0.4809929063	-1.0471197158	 0.106142
+H	 2.8398769773	 0.059250963	-1.549018091	 0.112538
+H	 2.0817399106	-3.7131852091	-1.0440761843	 0.105244
+H	 3.8753640841	-3.6630367491	-0.8561048129	 0.12502
+H	 1.2413988146	-2.0069447881	 1.3821934613	 0.07944
+H	 3.7366276922	-0.665179038	 2.337476824	 0.082072
+19
+0 3952	3.4420903	1.4598346	1.4444276	1.2079	74.74	-0.236	0.05219	0.28819	1000.2455	0.15787	-422.474653	-422.467406	-422.466462	-422.505817	29.659
+C	-0.0062918659	-0.2735647683	-0.0468298084	-0.411991
+C	 1.4545723622	 0.093628835	 0.1402337623	 0.132789
+O	 2.2566507596	-0.3574689047	-1.0267310214	-0.364554
+C	 3.1824919471	-1.1427948154	-0.313306022	 0.398316
+C	 4.0483845332	-2.3774727792	-0.5272420548	-0.181328
+O	 3.6338819322	-2.8005354032	 0.8186889817	-0.309404
+C	 2.4319673563	-1.9559526511	 0.7321626966	 0.097619
+C	 2.2449445532	-0.5504802115	 1.3559820796	-0.151173
+C	 3.6688449174	-0.2165879997	 0.8569230581	-0.279188
+H	-0.5943576674	 0.0934829658	 0.80136009	 0.118349
+H	-0.3937538337	 0.1936721202	-0.9567289721	 0.132704
+H	-0.1571492454	-1.35192938	-0.1323725323	 0.128309
+H	 1.5545523451	 1.1830616409	 0.204370116	 0.089583
+H	 3.6826156703	-3.0759894259	-1.2895708785	 0.114974
+H	 5.1322832601	-2.2517209303	-0.6031874481	 0.11498
+H	 1.5601288531	-2.5723610484	 0.5080732709	 0.07884
+H	 1.8538122598	-0.3105313558	 2.3468413903	 0.072649
+H	 3.8760987286	 0.8199657274	 0.584135914	 0.096632
+H	 4.4655328843	-0.6469816457	 1.458549448	 0.121895
+19
+0 3953	3.379344	1.4346165	1.4170065	2.559	74.34	-0.24066	0.07226	0.31292000000000003	997.8916	0.159049	-422.496531	-422.489452	-422.488508	-422.527501	29.507
+O	 0.4963485426	 0.6850669106	 0.4784220427	-0.43591
+C	-0.6101185138	-0.0097687191	 1.0194767785	 0.147389
+C	-1.7851616151	 0.0040426315	-0.0441291603	-0.32348
+C	-2.7473605857	 0.7446289498	 0.8652572325	 0.475118
+C	-2.6418830786	-0.0492906357	 2.2206111382	-0.296795
+C	-1.2883860746	 0.6901730659	 2.2626646548	-0.116378
+C	-1.9410470546	 1.8762496524	 1.5155604206	-0.072157
+C	-3.3734432493	 2.4817025188	 1.6493155474	-0.16242
+O	-3.9204017498	 1.5277971695	 0.6699378418	-0.362046
+H	 1.1887962554	 0.7082559557	 1.1475108524	 0.281525
+H	-0.3304320374	-1.0387008883	 1.2875569219	 0.069566
+H	-1.4829826946	 0.5752554151	-0.9238430525	 0.122474
+H	-2.0927278475	-1.0007507108	-0.3444549279	 0.101155
+H	-3.360856441	 0.2822269796	 2.9683794506	 0.107794
+H	-2.6245494674	-1.1415769998	 2.1739327451	 0.090426
+H	-0.6671477075	 0.7594231915	 3.1592014553	 0.054295
+H	-1.2812878395	 2.4832191501	 0.8963972535	 0.093299
+H	-3.8786495657	 2.3991571775	 2.6166852815	 0.110076
+H	-3.4612863259	 3.5043794956	 1.2753626439	 0.116071
+19
+0 3954	3.5446679	1.4228149	1.3575826	2.2253	74.4	-0.23796	0.06463	0.30259	1016.9699	0.158258	-422.507741	-422.500379	-422.499435	-422.539038	30.134
+O	 0.5141925846	 0.5737613374	 0.2249453852	-0.437478
+C	-0.81200123	 0.7881254725	 0.6509961701	 0.151472
+C	-1.2147142829	 0.1235345742	 2.0359252662	-0.366489
+C	-1.611933172	 1.4317226413	 2.6972445449	 0.446077
+C	-1.9316777758	 2.1003549952	 4.0292419813	-0.330139
+C	-1.223333592	 3.3828832224	 3.4551436397	-0.249486
+C	-0.5516402623	 2.5050908298	 2.338755544	-0.063163
+C	-1.2065034466	 2.2736851665	 0.976644333	 0.017717
+O	-2.4743440573	 2.0283315019	 1.6437368573	-0.34179
+H	 1.1116650197	 0.8475628772	 0.928286584	 0.281864
+H	-1.4454332814	 0.4227817793	-0.1596434429	 0.100781
+H	-2.032020824	-0.5936255478	 1.9367891709	 0.11317
+H	-0.3589226346	-0.3697544977	 2.5064133535	 0.097496
+H	-2.9875720663	 2.1705327274	 4.2990723316	 0.114224
+H	-1.3694360983	 1.6612160451	 4.8587793429	 0.106978
+H	-1.9185127214	 4.1318417936	 3.078255366	 0.124209
+H	-0.5099542038	 3.8585178756	 4.1299764649	 0.101732
+H	 0.5194174105	 2.330773294	 2.4707261848	 0.055418
+H	-1.2456706661	 2.9771137421	 0.1424372724	 0.077409
+19
+0 3955	3.3864037	1.4404728	1.4098852	1.851	74.54	-0.24591	0.06472	0.31062999999999996	998.2118	0.159073	-422.497306	-422.490194	-422.489249	-422.528345	29.404
+O	 0.3153335776	 0.8905551126	 0.4712934605	-0.437813
+C	-0.6291083076	 0.005031476	 1.0450496042	 0.142893
+C	-1.8375782091	-0.1699586534	 0.0335097076	-0.343849
+C	-2.8935824155	 0.3861478122	 0.9719945884	 0.283557
+C	-4.1842452443	 1.1999216969	 1.046849493	-0.201179
+O	-3.5591675505	 2.042672495	 2.0676062677	-0.313945
+C	-2.2333230548	 1.6136976023	 1.6240577436	 0.139329
+C	-1.3588286531	 0.5566745074	 2.3269228577	-0.135782
+C	-2.5900591101	-0.3723795102	 2.3195661785	-0.263167
+H	 1.0258170499	 1.0219880716	 1.1078519916	 0.282637
+H	-0.160812599	-0.9612573421	 1.2796060925	 0.070995
+H	-1.659984364	 0.4429853764	-0.852979695	 0.119252
+H	-1.9783817143	-1.2104085455	-0.2703979974	 0.099127
+H	-4.4166472921	 1.7839040344	 0.1462525062	 0.103959
+H	-5.0884144243	 0.7075770038	 1.4193615677	 0.10644
+H	-1.7372263559	 2.4019665013	 1.0537188844	 0.085695
+H	-0.7205393085	 0.720134488	 3.1996731784	 0.054847
+H	-2.4100203893	-1.4490969909	 2.2531455672	 0.087375
+H	-3.311256175	-0.1472756458	 3.1029165031	 0.11963
+19
+0 3956	3.6309739	1.3699644	1.1570908	1.117	75.13	-0.22962	0.05263	0.28225	1106.9842	0.157025	-422.496673	-422.4889	-422.487956	-422.528765	30.296
+C	 1.8243380027	 1.4484625389	 0.8035866767	-0.411855
+C	 1.5656539961	-0.0274262724	 0.5375371764	 0.018509
+C	 2.4431516109	-1.0531204158	 1.3507873828	-0.365242
+C	 2.7008808747	-1.7772530815	 0.0439964101	 0.433695
+O	 3.7971913766	-2.5924285281	-0.327831917	-0.335251
+C	 2.9502673884	-3.3467589675	-1.2477414472	-0.1151
+C	 1.6822431361	-2.6100492641	-0.7523080588	-0.006772
+O	 1.2472765811	-1.4851032988	-1.539907839	-0.307033
+C	 2.1351396839	-0.6094071282	-0.801720505	 0.020274
+H	 1.5472953497	 1.718977708	 1.8281777703	 0.119875
+H	 2.8842239205	 1.6947727177	 0.6726903099	 0.117349
+H	 1.2473662041	 2.0801914489	 0.1197692841	 0.122253
+H	 0.4988590966	-0.2537338159	 0.6144002249	 0.088652
+H	 3.3517622411	-0.5753171659	 1.7328171723	 0.115572
+H	 1.9719368763	-1.6136215445	 2.1622837614	 0.104496
+H	 3.1982505172	-3.1568895107	-2.2970130751	 0.117051
+H	 2.9993988877	-4.4194408618	-1.0323735159	 0.110855
+H	 0.8595331316	-3.2072316874	-0.3537944668	 0.089783
+H	 2.7042604247	 0.0690463791	-1.441464884	 0.082886
+19
+0 3957	3.5573898	1.4116224	1.1885911	0.9596	75.23	-0.22994	0.05539	0.28533000000000003	1092.3025	0.156876	-422.502017	-422.494236	-422.493292	-422.534085	30.443
+C	 0.29130719	 0.4778932833	-0.2513743245	-0.405182
+C	 0.8499680962	-0.8050705264	 0.3228092196	 0.108145
+O	 2.1180591327	-0.570643205	 1.0287814139	-0.349131
+C	 2.7568105841	-1.5724253501	 0.266084847	 0.433157
+C	 4.2179682749	-1.6930584281	-0.130945303	-0.339826
+C	 3.9912906346	-3.2448783174	-0.2314823509	-0.246212
+C	 2.6200788714	-3.1007599617	 0.5016577863	 0.037175
+O	 1.4469783129	-3.1924658359	-0.3433072641	-0.307294
+C	 1.5475960889	-1.7904677813	-0.6560770623	-0.024918
+H	 0.0943336815	 1.1983405046	 0.5481020657	 0.133002
+H	 0.9984976063	 0.9322019207	-0.9524623197	 0.121899
+H	-0.6479309201	 0.2805279051	-0.7792565225	 0.121904
+H	 0.1308560285	-1.3095073089	 0.9780378533	 0.092291
+H	 4.5491072096	-1.1575088109	-1.0243186593	 0.104797
+H	 4.8832650706	-1.4378259011	 0.6993712042	 0.119384
+H	 3.8731604619	-3.6166772304	-1.2507198987	 0.11904
+H	 4.7323575621	-3.8534365524	 0.2891877179	 0.110835
+H	 2.4971556345	-3.6025893145	 1.4630350928	 0.086416
+H	 1.4796301795	-1.5727092594	-1.7249261359	 0.084519
+19
+0 3958	3.6109549	1.3761723	1.1702191	1.9318	75.39	-0.23998	0.06166	0.30164	1096.9702	0.157024	-422.498477	-422.490721	-422.489777	-422.530568	30.231
+C	-0.105735454	 0.1513424756	 0.0081433737	-0.404891
+C	 1.3998789116	 0.0342234758	 0.0871800446	 0.125387
+O	 1.8105062146	-0.9801665593	 1.068409744	-0.338236
+C	 2.6286703247	-1.5934695907	 0.1037355354	 0.419434
+C	 3.07257469	-3.0355403746	-0.0250319548	-0.174172
+O	 4.2946773603	-2.5798525269	-0.6701316178	-0.295741
+C	 4.0890246315	-1.1997568656	-0.2649055458	 0.045078
+C	 3.5818068224	-0.2913838193	-1.4115631129	-0.272801
+C	 2.1264478415	-0.718804442	-1.0656378893	-0.1464
+H	-0.5163760599	 0.4618578469	 0.973815699	 0.130696
+H	-0.3888763153	 0.8963474412	-0.7434920711	 0.119708
+H	-0.5554078616	-0.8082871033	-0.2640595417	 0.123298
+H	 1.8564362518	 1.000756432	 0.3381521749	 0.080566
+H	 3.2822819953	-3.5296232868	 0.9340014912	 0.109491
+H	 2.4850211797	-3.7045160952	-0.6637855215	 0.106822
+H	 4.8595374002	-0.8470777585	 0.4261651664	 0.077659
+H	 3.7931356689	 0.7748523993	-1.28238636	 0.101271
+H	 3.9306342654	-0.6084227807	-2.396805819	 0.116871
+H	 1.475442273	-1.0912315781	-1.8577104153	 0.075962
+19
+0 3959	3.5998954	1.33761	1.1463047	2.4522	75.02	-0.23557	0.06031	0.29588000000000003	1104.0228	0.157074	-422.50435	-422.496453	-422.495509	-422.536642	30.852
+O	 0.5069981216	 0.3752927203	 0.6367702871	-0.433936
+C	-0.7857454735	 0.8220819302	 0.2993806893	 0.118463
+C	-1.9241800406	-0.2583865566	 0.3043406003	-0.39657
+C	-2.2320709709	 0.1031876217	-1.1514293789	 0.321276
+C	-2.819179636	-0.6464959488	-2.3512530774	-0.342766
+C	-3.3148469039	 0.7232338483	-2.9271540052	-0.234902
+C	-2.9204192432	 1.4238118096	-1.5951074048	 0.069099
+O	-1.6786879108	 2.1610541714	-1.6413930703	-0.3061
+C	-0.9550997115	 0.9827633627	-1.2362329519	 0.052507
+H	 0.5193968067	 0.1677475143	 1.5768597343	 0.285187
+H	-1.0557168465	 1.7483029058	 0.8235949314	 0.07818
+H	-1.4814331467	-1.2561941188	 0.3913717638	 0.108564
+H	-2.7298310743	-0.1555577254	 1.0370458117	 0.096004
+H	-2.1214925843	-1.2281179711	-2.9602252118	 0.102904
+H	-3.651876808	-1.2979945136	-2.0683171945	 0.105538
+H	-2.7368119496	 1.1028461218	-3.7718723212	 0.116812
+H	-4.3776689935	 0.7626953776	-3.1761899857	 0.10292
+H	-3.7039172618	 1.951492766	-1.0436061466	 0.072288
+H	-0.0644383334	 0.7732972344	-1.8346966896	 0.084534
+19
+0 3960	3.66076	1.3014355	1.1213852	2.4226	75.24	-0.23882	0.06998	0.3088	1109.7479	0.157267	-422.501292	-422.493473	-422.492529	-422.533508	30.588
+O	 0.4706150604	 0.3616820371	 0.7077151697	-0.433331
+C	-0.8163607746	 0.779845857	 0.3150985513	 0.13315
+C	-1.9406287297	-0.3109446032	 0.3078334996	-0.387254
+C	-2.2339423346	 0.0656838537	-1.1409936127	 0.317155
+C	-2.8481192662	-0.6388045187	-2.3405621313	-0.176839
+O	-3.376620224	 0.6188001845	-2.8373899747	-0.295328
+C	-3.0214710811	 1.317597084	-1.6214531752	 0.076397
+C	-1.7212802223	 2.1506284834	-1.7491305471	-0.262428
+C	-0.9262181616	 0.9230726118	-1.2311487478	-0.082604
+H	 0.4570402037	 0.19410187	 1.6559961566	 0.283189
+H	-1.1160010715	 1.6964508371	 0.8445301776	 0.064782
+H	-1.4797097837	-1.3017699092	 0.3815422108	 0.1088
+H	-2.7515242772	-0.2337408761	 1.0386021949	 0.095605
+H	-2.1635064942	-1.1157931617	-3.0527244978	 0.103347
+H	-3.6582887788	-1.3412353395	-2.0962813011	 0.097675
+H	-3.8959240505	 1.7488839969	-1.1222434372	 0.067983
+H	-1.5163412249	 2.4325246416	-2.7843896898	 0.114593
+H	-1.6622812355	 3.0426901606	-1.1167625744	 0.09603
+H	-0.0306816437	 0.5888642108	-1.7563950015	 0.07908
+19
+0 3961	3.5538847	1.3481293	1.1423654	2.2085	75.11	-0.22901	0.06605	0.29506	1099.3031	0.157322	-422.504365	-422.496579	-422.495635	-422.536497	30.62
+O	 0.4004557538	 0.2988714589	 0.6839648115	-0.432288
+C	-0.8689342482	 0.7571293913	 0.2783065255	 0.129954
+C	-2.0247218246	-0.3046276356	 0.2586473868	-0.375393
+C	-2.3018581553	 0.1194505588	-1.1717637657	 0.493186
+O	-2.8486625882	-0.6908838993	-2.1985222725	-0.328372
+C	-3.4719050204	 0.4722359214	-2.8100811728	-0.100404
+C	-3.0483267924	 1.3954576099	-1.641910409	-0.145712
+C	-1.7008397583	 2.1560403808	-1.8037025439	-0.261677
+C	-0.9506193574	 0.9073341932	-1.2702176771	-0.108293
+H	 0.3542049108	 0.077023406	 1.6199969218	 0.282939
+H	-1.1486665169	 1.6786033246	 0.8093559512	 0.064113
+H	-1.5846294783	-1.3071549606	 0.2846964806	 0.118119
+H	-2.8304394104	-0.2344533191	 0.9953359119	 0.093542
+H	-3.0291385625	 0.7101890237	-3.7855363667	 0.101935
+H	-4.5501206394	 0.3212854299	-2.9293560083	 0.107707
+H	-3.8584803445	 1.864871098	-1.0824187175	 0.073612
+H	-1.4614017323	 2.4266660934	-2.8362745448	 0.102655
+H	-1.6010012411	 3.0528329704	-1.1844076045	 0.100262
+H	-0.0645434343	 0.5326639542	-1.7821322564	 0.084116
+19
+0 3962	2.4752568	1.5794298	1.2636715	2.5715	79.76	-0.21719	0.01437	0.23156	1082.6158	0.156313	-422.526114	-422.517431	-422.516487	-422.559292	32.4
+C	-0.1069893117	 1.4128655654	 0.0893474617	-0.494253
+C	-0.0316793139	-0.061838831	-0.1298931318	 0.174735
+C	-0.9949684374	-0.9458679933	-0.3766143703	 0.092898
+C	-2.3989848911	-1.2780850234	 0.0849059668	-0.353159
+C	-1.7109419316	-2.490767914	 0.8419943995	 0.072845
+O	-1.2980648474	-2.179878803	 2.1466571326	-0.417352
+C	-0.492171825	-2.3317057147	-0.1602155584	 0.10787
+O	 0.8504052379	-2.2335953482	 0.2452158861	-0.272079
+C	 1.2468326437	-0.8578052423	 0.1120676664	-0.141559
+H	 0.4908188447	 1.9608874592	-0.6503932012	 0.130051
+H	-1.1363323628	 1.7740155281	 0.0158948577	 0.125704
+H	 0.2870855957	 1.6880071723	 1.0760581348	 0.128251
+H	-2.9113120603	-0.5408603108	 0.7082959314	 0.103905
+H	-3.0740439008	-1.6243983906	-0.7039407268	 0.109736
+H	-2.2510898271	-3.4464791736	 0.7938547334	 0.064604
+H	-2.0844731962	-2.0889066246	 2.6938953848	 0.285969
+H	-0.5960475904	-3.0468633822	-0.9882709995	 0.074327
+H	 1.9936810677	-0.7665115755	-0.6931068608	 0.098307
+H	 1.7285454761	-0.530172638	 1.0448257137	 0.109199
+19
+0 3963	3.6195924	1.1934632	1.0063827	2.5309	77.73	-0.22082	0.02942	0.25024	1202.7094	0.158377	-422.567533	-422.55936	-422.558416	-422.600597	30.621
+O	 0.3084289745	-0.045583802	 0.7085714527	-0.434452
+C	-0.217014863	 1.2219293857	 0.3342272514	 0.129694
+C	-1.2585228985	 1.7480858896	 1.379708739	-0.377571
+C	-2.5663327939	 1.4108075117	 0.7302489514	 0.2467
+C	-2.4299364548	 1.0126040193	-0.5304701108	 0.244857
+C	-3.7693170596	 0.724892575	-1.1282994211	-0.188633
+O	-4.6975501049	 0.9988381532	-0.0698256664	-0.27465
+C	-4.0115600787	 1.4305321731	 1.1128193906	-0.186816
+C	-1.0038648698	 0.9949069073	-0.9902352194	-0.350231
+H	 0.7880244596	 0.0637282783	 1.5359316098	 0.280779
+H	 0.6011761692	 1.9422009701	 0.1957947342	 0.064012
+H	-1.1042326272	 1.2577858314	 2.349592412	 0.099461
+H	-1.1507330112	 2.8280222824	 1.551460638	 0.105492
+H	-4.0021943971	 1.3611841002	-1.9973205304	 0.101482
+H	-3.8804522777	-0.3210307282	-1.4554198084	 0.105493
+H	-4.3701317048	 2.4313988143	 1.4030447649	 0.100655
+H	-4.247926653	 0.7496273725	 1.9461064132	 0.103068
+H	-0.6862686544	 0.0477712135	-1.4390666906	 0.12478
+H	-0.7976675243	 1.7845605425	-1.7244451801	 0.105882
+19
+0 3964	2.8843794	1.4675976	1.3184898	2.4804	78.79	-0.22281	0.00934	0.23215	1060.7306	0.15645	-422.526788	-422.518363	-422.517419	-422.559621	32.243
+C	-0.2226719696	 1.4700606947	 0.1869887542	-0.387541
+C	 0.0931175527	-0.0124150223	 0.0044808707	 0.10288
+O	-1.1484998965	-0.7407674688	-0.1817655644	-0.283706
+C	-1.1802739435	-1.8094002099	 0.7234355829	 0.096075
+C	-2.012401879	-1.8126451619	 2.0767458839	 0.06974
+O	-2.4114180261	-0.5053698389	 2.3963505645	-0.414678
+C	-0.6810920689	-2.2744310368	 2.8080429615	-0.352072
+C	 0.0184749258	-1.6878282457	 1.601572451	 0.202437
+C	 0.7295207934	-0.6255986158	 1.2462441721	-0.228156
+H	 0.6979497286	 2.0549660504	 0.2863050656	 0.104559
+H	-0.7765830281	 1.8420881144	-0.6796831563	 0.122941
+H	-0.8378608181	 1.6065226821	 1.0802350045	 0.135608
+H	 0.6994796038	-0.1482170551	-0.9051109419	 0.080209
+H	-1.3297227489	-2.7630278275	 0.1987791421	 0.076172
+H	-2.8483710362	-2.5235217462	 2.1244570371	 0.068012
+H	-2.7164608208	-0.5000731416	 3.3090455463	 0.287316
+H	-0.471003956	-1.8252199179	 3.7813222106	 0.108374
+H	-0.6257445762	-3.3645980292	 2.8848674976	 0.112333
+H	 1.5040212937	-0.116260054	 1.8063843876	 0.099497
+19
+0 3965	3.1315243	1.2430653	1.1215495	1.419	78.06	-0.2409	0.005	0.2459	1148.1814	0.157428	-422.540491	-422.532258	-422.531314	-422.573168	32.294
+O	 0.1388226166	 1.4279675465	-0.0186315777	-0.421825
+C	 0.0670275397	 0.0245541584	-0.0191361781	 0.114518
+C	 0.1208145774	-0.6204662074	-1.4638568884	-0.354067
+C	-1.3874343465	-0.6351382545	-1.3715951358	 0.281445
+C	-2.5159416732	-0.1955139441	-1.9200251242	-0.311308
+C	-3.5429925218	 0.0865986683	-0.8187032358	 0.132423
+O	-4.3569581964	 1.2192915624	-1.076321361	-0.428225
+C	-2.6609888794	 0.2162098908	 0.4703233803	-0.293153
+C	-1.3908305649	-0.5776484558	 0.1318981006	-0.06277
+H	-0.4596498392	 1.7551623555	-0.7015343618	 0.276543
+H	 0.8165499485	-0.318232289	 0.6973049049	 0.091744
+H	 0.5979147145	-0.0336799086	-2.2530735087	 0.112473
+H	 0.5689020861	-1.6189305835	-1.4347448347	 0.117871
+H	-2.7277019515	 0.0092884854	-2.9633237508	 0.099637
+H	-4.2637636173	-0.7346144109	-0.7161468555	 0.096459
+H	-3.7714858328	 1.9738661672	-1.2074745021	 0.267968
+H	-2.4099035855	 1.2766491093	 0.6071347678	 0.096839
+H	-3.1798119875	-0.1159311392	 1.372568655	 0.103721
+H	-1.3418997268	-1.5555856508	 0.6230987862	 0.079707
+19
+0 3966	2.4850617	1.7856222	1.2670795	1.501	77.43	-0.23358	0.01524	0.24882	1028.4924	0.158058	-422.539602	-422.531597	-422.530653	-422.571777	31.634
+O	 0.3232957917	 1.3857419503	-0.0384110182	-0.438865
+C	 0.1368639411	-0.0055459682	-0.0845723253	 0.105806
+C	 0.1238281848	-0.6253645114	-1.5419463303	-0.350277
+C	-1.3802687878	-0.6407006519	-1.4068062764	 0.294181
+C	-2.5235066236	-0.2305399891	-1.9455911455	-0.234705
+C	-3.5136925652	 0.0922205058	-0.8316304035	-0.246568
+C	-2.6142785903	 0.3169877955	 0.4204429403	 0.07481
+O	-2.3577764538	 1.7235629281	 0.487426163	-0.437993
+C	-1.3537727205	-0.5261285898	 0.0932068607	-0.120267
+H	-0.4751626105	 1.7937870625	-0.4026658959	 0.288082
+H	 0.8719207807	-0.4428791932	 0.5960775824	 0.086951
+H	 0.565678978	-0.0113657883	-2.3305337228	 0.115521
+H	 0.5808104572	-1.6205831726	-1.5580172712	 0.109102
+H	-2.7346947605	-0.0538089116	-2.9936954574	 0.094548
+H	-4.0955146508	 0.9980872154	-1.0314949389	 0.11884
+H	-4.2324486446	-0.7192709494	-0.6558466587	 0.105753
+H	-3.1122142104	-0.0065269634	 1.3438363528	 0.068666
+H	-1.7543806919	 1.8743070006	 1.2240715091	 0.291324
+H	-1.3596056435	-1.4825548495	 0.629296646	 0.07509
+19
+0 3967	2.8568817	1.5207893	1.2595072	2.3659	78.13	-0.22699	0.00415	0.23113999999999998	1059.9515	0.156076	-422.533311	-422.524708	-422.523763	-422.565981	32.934
+C	-0.1288883766	 1.6689690105	-0.156450258	-0.431256
+C	-0.0276647077	 0.1603084486	 0.0371140502	 0.350447
+O	-1.2592068715	-0.3649821104	 0.5201478568	-0.321529
+C	-1.0241449087	-0.8927740648	 1.8380124417	-0.123955
+C	 0.4837394836	-1.0668285298	 1.9442169957	-0.237817
+C	 1.0348788441	-0.3975009109	 0.9396184144	 0.205204
+C	 2.0443835741	-0.5496741696	-0.1705569055	-0.372545
+C	 0.7662267466	-0.5635415945	-1.1131180475	 0.075465
+O	 0.8157112684	 0.1277216373	-2.3328555326	-0.427316
+H	 0.8175323966	 2.0980777657	-0.4944679448	 0.119436
+H	-0.8848154886	 1.8924239091	-0.9139113208	 0.134318
+H	-0.42068718	 2.146235786	 0.7831225243	 0.113884
+H	-1.4509910657	-0.2172307862	 2.596922374	 0.102604
+H	-1.5427095902	-1.8561574996	 1.9318717572	 0.109462
+H	 0.9517315349	-1.7493543911	 2.6427003844	 0.102388
+H	 2.6371597877	 0.3484763071	-0.3681504529	 0.119792
+H	 2.6938316694	-1.4267111335	-0.1526897626	 0.109808
+H	 0.3897759968	-1.5883124357	-1.2210330768	 0.08372
+H	 1.3267655969	-0.3929823583	-2.960357657	 0.287891
+19
+0 3968	2.3387195	1.5792832	1.4912338	1.3312	77.71	-0.23042	0.01162	0.24204	1023.4767	0.156579	-422.542766	-422.534189	-422.533245	-422.575469	33.194
+O	 0.0285971787	 1.3685775389	 0.0798532633	-0.429909
+C	 0.0360234465	-0.034249375	-0.027936741	 0.075608
+C	 0.0843583098	-0.5707999238	-1.5209512596	-0.37175
+C	-1.4240848904	-0.6292687398	-1.4266672629	 0.237141
+C	-2.5689000997	-0.2079844709	-1.9516029025	-0.21801
+C	-3.5701923869	 0.0914748159	-0.8348680279	-0.25701
+C	-2.6759526401	 0.2022045099	 0.445152197	-0.307368
+C	-1.4197361192	-0.6053704077	 0.0793903924	 0.386437
+O	-1.302158726	-1.8778333667	 0.7081594757	-0.497756
+H	 0.898388362	 1.6946328803	-0.1704654309	 0.287394
+H	 0.7464814811	-0.5034966815	 0.6637672095	 0.075844
+H	 0.5179569542	 0.0960313084	-2.2709272333	 0.103024
+H	 0.5705093209	-1.5490994895	-1.5714215583	 0.117393
+H	-2.776314208	 0.0079078449	-2.9943642068	 0.092684
+H	-4.1069406413	 1.0254953281	-1.0331983503	 0.107833
+H	-4.3422589186	-0.6853279546	-0.7417657865	 0.099354
+H	-2.405549469	 1.2482343308	 0.6109783265	 0.128619
+H	-3.1558849572	-0.1753674413	 1.3519436121	 0.095203
+H	-2.0293647468	-2.4258848565	 0.3930717235	 0.275268
+19
+0 3969	2.7998714	1.6210014	1.2589198	1.4296	77.48	-0.23984	0.00981	0.24964999999999998	1043.1417	0.158338	-422.540553	-422.532637	-422.531693	-422.572803	30.865
+O	-0.2254136938	 1.3584294924	 0.1248589852	-0.441286
+C	-0.0085597889	-0.0168621952	-0.0773302283	 0.101846
+C	 0.1762619608	-0.3453982498	-1.5959388066	-0.341538
+C	-1.3115152229	-0.6387242805	-1.6228668599	 0.30408
+C	-2.3795519829	-0.3960682774	-2.3684325464	-0.24366
+C	-3.6977560122	-0.3843947937	-1.623923166	-0.262385
+C	-3.4901361318	 0.3454991087	-0.2833230071	-0.067529
+O	-2.4813182639	-0.2454978162	 0.5464953872	-0.286605
+C	-1.3695900186	-0.7995767874	-0.1294433198	 0.039734
+H	-0.9541981629	 1.419233247	 0.7567612068	 0.290886
+H	 0.7581082995	-0.4090082013	 0.6034133085	 0.063966
+H	 0.5359231108	 0.4783452844	-2.2156630443	 0.124587
+H	 0.8125789576	-1.2229907927	-1.7494357856	 0.109014
+H	-2.3277282555	-0.0948628332	-3.4101378947	 0.092867
+H	-4.4705247908	 0.1438303665	-2.1917483459	 0.107544
+H	-4.077107275	-1.3974991743	-1.43775769	 0.116771
+H	-3.2316252442	 1.392308371	-0.4950464057	 0.099592
+H	-4.4021915813	 0.3295804122	 0.3212340518	 0.106232
+H	-1.2426772942	-1.8349259003	 0.2129278408	 0.085885
+19
+0 3970	3.0306012	1.4318891	1.1552752	2.5514	78.45	-0.23404	0.02184	0.25588	1099.2919	0.158211	-422.537419	-422.529464	-422.52852	-422.569675	30.977
+O	 0.0500473808	 1.4133966339	 0.0844025028	-0.427431
+C	 0.0559543037	 0.0051496451	-0.0131349388	 0.088789
+C	 0.1791602552	-0.5283234914	-1.4908355779	-0.35848
+C	-1.3315225603	-0.6006089172	-1.4913162432	 0.340538
+C	-2.3449280508	-0.3181709765	-2.2945227055	-0.262805
+C	-3.7058587614	-0.079818905	-1.6841481278	-0.095219
+O	-3.7503435804	-0.2311276929	-0.2744847403	-0.259248
+C	-2.6200024143	 0.290317509	 0.426148859	-0.114854
+C	-1.4090057837	-0.5395127761	 0.0175607494	-0.064518
+H	 0.9286823577	 1.7333715903	-0.1428715877	 0.285889
+H	 0.7481950884	-0.440942376	 0.7130923963	 0.064945
+H	 0.6635429625	 0.1360704942	-2.2130442978	 0.102962
+H	 0.665805609	-1.5097945305	-1.523765752	 0.108288
+H	-2.2345655162	-0.1493024059	-3.3625785785	 0.087065
+H	-4.0416291015	 0.9339751422	-1.9713512386	 0.095698
+H	-4.4531674698	-0.7804584247	-2.0774035806	 0.11501
+H	-2.4495102648	 1.3472806632	 0.1837400952	 0.109506
+H	-2.8697938746	 0.2090986487	 1.4873784699	 0.101966
+H	-1.4360372798	-1.5271298605	 0.490876346	 0.081898
+19
+0 3971	2.4179475	1.4350772	1.2205301	3.9894	75.69	-0.23524	-0.01392	0.22132000000000002	1109.6	0.155418	-422.556352	-422.547534	-422.54659	-422.589701	33.513
+C	-3.059170516	-0.0307854323	 1.2359659041	-0.50335
+C	-2.0719497174	 0.1196464838	 0.0995875288	 0.310617
+C	-0.9467692577	-0.9571904241	-0.0072150035	-0.416803
+C	 0.0960825184	 0.1665743911	 0.1462778456	 0.424254
+O	 1.272228108	 0.1724032525	 0.3712377242	-0.309426
+C	-0.9635561022	 1.2571367379	 0.0381971193	-0.202668
+C	-1.374095069	 1.5248268361	-1.4505454685	-0.263586
+C	-2.5888824482	 0.5851298477	-1.2941253131	 0.081356
+O	-2.6975363875	-0.361359002	-2.3331334849	-0.421891
+H	-3.7086577135	-0.901823568	 1.0822732956	 0.115714
+H	-2.548449753	-0.1707430104	 2.1951576533	 0.123779
+H	-3.7022579465	 0.8515737268	 1.3273238857	 0.117551
+H	-0.9191762025	-1.6892393268	 0.8053294595	 0.12556
+H	-0.9150867836	-1.4872759072	-0.9634574726	 0.139929
+H	-0.9075907187	 2.1203706703	 0.7019601519	 0.08454
+H	-1.6108870513	 2.5646013895	-1.679766214	 0.116008
+H	-0.6511276102	 1.1633623047	-2.1856044211	 0.126652
+H	-3.5239766048	 1.1529085055	-1.1801654587	 0.066369
+H	-3.5005328243	-0.8752885051	-2.1990254816	 0.285395
+19
+0 3972	3.0573192	1.3390813	1.0899438	3.6754	75.57	-0.23541	-0.01753	0.21788000000000002	1145.2164	0.155357	-422.556098	-422.547336	-422.546391	-422.589594	33.477
+C	-4.1702857936	 0.8401728165	 1.0696345489	-0.434122
+C	-2.7634859671	 0.2789029626	 1.2526184219	-0.034569
+C	-1.676123329	 1.3693100327	 1.5011798132	-0.250587
+C	-1.0419551583	 1.1203532574	 0.0909722839	-0.242595
+C	 0.0978834705	 0.1112762396	 0.1735507843	 0.425394
+O	 1.2897086498	 0.2082387279	 0.2404780923	-0.307058
+C	-0.8601336467	-1.0927834221	 0.0877405864	-0.401315
+C	-2.0473822226	-0.1090130934	-0.0732435296	 0.408532
+O	-2.7939469427	-0.4003649537	-1.2126363594	-0.470757
+H	-4.5592632349	 1.221978384	 2.0188417748	 0.12644
+H	-4.1843221193	 1.6782062092	 0.3600177836	 0.108641
+H	-4.8625865172	 0.0735504189	 0.7067144978	 0.12831
+H	-2.7895560474	-0.5277943969	 1.9929958151	 0.073113
+H	-2.0866697255	 2.3758988759	 1.6083706029	 0.112359
+H	-1.0033961074	 1.1866444145	 2.3423251177	 0.116935
+H	-0.9447864862	 1.9755553093	-0.5783391348	 0.088307
+H	-0.6959065628	-1.6682898452	-0.8285634473	 0.145629
+H	-0.8732068213	-1.7769196218	 0.9407588212	 0.123283
+H	-3.4634028183	 0.2820400147	-1.3279188428	 0.284061
+19
+0 3973	2.3273316	1.5492829	1.3186738	4.295	75.03	-0.26594	0.01194	0.27788	1081.6464	0.156162	-422.582761	-422.574076	-422.573131	-422.615865	32.625
+C	-2.4344623684	-0.8616072619	 2.3383318475	-0.410973
+C	-2.5130854443	 0.2891301732	 1.3464409151	-0.021505
+C	-1.5476143191	 1.5052561624	 1.5254676527	-0.261487
+C	-1.0499636465	 1.3321086194	 0.0529080283	-0.28571
+C	 0.0920656318	 0.3327034288	-0.0269518736	 0.449087
+O	 1.2812390681	 0.3405407319	-0.0391097911	-0.331019
+O	-0.7354166885	-0.7690279718	-0.0625262451	-0.288195
+C	-1.9496090675	 0.0713884507	-0.0862393184	 0.436084
+C	-2.8445301595	-0.2832061089	-1.2402372232	-0.480403
+H	-3.0992868496	-1.6823965223	 2.0485742525	 0.119433
+H	-1.4180863482	-1.2595685036	 2.3989508132	 0.137872
+H	-2.7325992771	-0.5284305996	 3.3379083323	 0.117988
+H	-3.5466144179	 0.6431134237	 1.2653043693	 0.079036
+H	-2.0563636224	 2.4547380063	 1.6984603229	 0.115207
+H	-0.7693438115	 1.386782514	 2.2829813237	 0.123025
+H	-1.0406969343	 2.1906234699	-0.6151639968	 0.104167
+H	-3.2529038605	-1.2916103908	-1.1127619726	 0.137657
+H	-3.6824622303	 0.4175924774	-1.3034660564	 0.125572
+H	-2.2938611743	-0.2565986388	-2.1850443403	 0.134163
+19
+0 3974	2.9507212	1.3792261	1.105635	3.9489	75.87	-0.23213	-0.03193	0.2002	1144.0253	0.155014	-422.544382	-422.535542	-422.534598	-422.577761	33.173
+C	-4.0405913492	 0.93639036	 1.3074496172	-0.413567
+C	-2.6651844665	 0.3055630144	 1.2141586066	 0.116219
+O	-1.6226299943	 1.2923760104	 1.4645469474	-0.308251
+C	-1.0944009338	 1.1730629399	 0.1262106758	-0.054003
+C	 0.0737840884	 0.1649894769	 0.1276383446	 0.425149
+O	 1.2613918766	 0.2630848333	 0.2160697341	-0.291504
+C	-0.8906209227	-1.0199761912	-0.0936010226	-0.424809
+C	-2.0793054752	-0.0104516139	-0.1874352664	 0.270998
+C	-2.9703960626	-0.1068042856	-1.4053393776	-0.499467
+H	-4.1997377056	 1.3169643067	 2.3209434886	 0.133267
+H	-4.144707106	 1.7736862816	 0.611578675	 0.123914
+H	-4.8222583767	 0.1998519114	 1.0921747862	 0.118401
+H	-2.586597543	-0.5280419969	 1.9252470109	 0.078783
+H	-1.0075072881	 2.1303326403	-0.3957297254	 0.087442
+H	-0.6740416181	-1.5412260911	-1.0323025663	 0.131993
+H	-0.9339922599	-1.7607952505	 0.7103463052	 0.130123
+H	-3.559740804	-1.0310032942	-1.3886033505	 0.126245
+H	-3.6673607946	 0.7330100408	-1.4737482228	 0.126287
+H	-2.3731314548	-0.1181185223	-2.3234864	 0.122778
+19
+0 3975	2.9751947	1.2575169	0.968371	3.5826	76.48	-0.23387	-0.02056	0.21331	1232.6431	0.155956	-422.549133	-422.540295	-422.539351	-422.582868	32.938
+C	-1.0516459152	 2.0659922035	 1.0231762559	-0.407465
+C	-1.0452753041	 0.9358322562	-0.0030338826	-0.112379
+C	-2.1314795325	-0.1830248007	 0.1389940679	-0.039438
+C	-2.6622328504	-0.7867310535	-1.1805417337	-0.282491
+C	-1.3989315611	-1.6895703503	-1.2783733046	 0.159738
+O	-1.5787383227	-3.0541531243	-1.5350680853	-0.424146
+C	-0.9944249364	-1.2738217293	 0.1956127861	-0.22092
+C	 0.0312987956	-0.1487552594	 0.2391692435	 0.411292
+O	 1.2022675333	-0.0916006157	 0.487346801	-0.311979
+H	-1.1287071817	 1.6738081547	 2.0427888188	 0.121308
+H	-0.1244586633	 2.642502458	 0.9581715814	 0.137891
+H	-1.8939399329	 2.7446303954	 0.8563317089	 0.119787
+H	-0.991442353	 1.3518571865	-1.0168035583	 0.096882
+H	-2.8342944013	-0.0291580993	 0.9577729066	 0.076843
+H	-3.5534893108	-1.4026720587	-1.0167053306	 0.09774
+H	-2.8661802242	-0.1055412379	-2.0118902096	 0.10532
+H	-0.6726288695	-1.3525918752	-2.0225070403	 0.10578
+H	-2.2373314647	-3.395431091	-0.9200687655	 0.280729
+H	-0.9207937052	-2.0985695891	 0.9061326603	 0.085508
+19
+0 3976	2.3831884	1.5769754	1.2563645	1.958	74.99	-0.23941	-0.03206	0.20735	1079.7607	0.155944	-422.548983	-422.540119	-422.539174	-422.582613	32.919
+C	-0.6557599796	-1.8768288829	-2.5956508955	-0.406554
+C	-1.5108227871	-1.6761941168	-1.3536473848	 0.041908
+C	-2.6186772104	-0.5779325319	-1.3402735933	-0.260739
+C	-2.1549692702	-0.1027949998	 0.0614867547	-0.064194
+C	-1.2354675091	 1.149949065	 0.0441536622	 0.045689
+O	-1.5495793502	 2.2407675074	-0.7762336421	-0.434659
+C	-0.0805480168	 0.2301830824	-0.3698276671	 0.358344
+O	 0.975226927	 0.4623832321	-0.8933795941	-0.322186
+C	-0.8861409515	-1.0388886463	-0.0657861355	-0.188376
+H	 0.1359579572	-2.612490643	-2.4177617594	 0.120171
+H	-1.2709022259	-2.2415263611	-3.4257060271	 0.115063
+H	-0.1760456278	-0.9467164732	-2.9128857127	 0.12956
+H	-1.952629598	-2.6336494569	-1.0585820304	 0.083161
+H	-2.4975302927	 0.1979804684	-2.1015463518	 0.113985
+H	-3.6423221208	-0.9524593239	-1.3932915209	 0.105144
+H	-2.8666100035	-0.1765762297	 0.8814686678	 0.075451
+H	-1.0664452558	 1.4688777307	 1.0881650725	 0.098543
+H	-0.75163322	 2.4590373409	-1.2729779113	 0.298566
+H	-0.5004790949	-1.7050640513	 0.7069409788	 0.091125
+19
+0 3977	2.682999	1.4885213	1.1210012	1.7297	75.68	-0.2422	-0.02927	0.21293	1138.3658	0.155417	-422.54666	-422.537789	-422.536845	-422.580378	32.664
+C	-0.6530502278	 1.4866488216	 2.6140022622	-0.405323
+C	-1.4529919319	 1.5749823728	 1.3318590753	 0.142745
+O	-2.518624495	 0.5922414952	 1.2370457744	-0.310236
+C	-2.1012740216	 0.1808048519	-0.0775007967	 0.107021
+C	-1.2256242645	-1.1015449935	-0.0463137471	-0.1333
+C	-1.2055276598	-1.9432171752	-1.3242267256	-0.409439
+C	 0.0066188091	-0.172690548	 0.0803755259	 0.409679
+O	 1.1851362828	-0.3760498699	 0.1367512315	-0.309966
+C	-0.8442921785	 1.1039566885	-0.0183433237	-0.248086
+H	-0.1949432989	 0.5015570516	 2.7356349802	 0.131625
+H	 0.1415728311	 2.240063638	 2.615997039	 0.127278
+H	-1.3046652366	 1.6738846595	 3.4732051744	 0.130732
+H	-1.8781400921	 2.5819743297	 1.2215889257	 0.086838
+H	-2.8940829454	 0.2488835702	-0.8257290286	 0.083284
+H	-1.4132802907	-1.7238659584	 0.8339216293	 0.109927
+H	-0.3783884462	-2.6576994798	-1.2941765393	 0.141069
+H	-2.1415182071	-2.4980918207	-1.4387985404	 0.126413
+H	-1.072034646	-1.318072529	-2.2140321296	 0.120833
+H	-0.5481861709	 1.8631897953	-0.7410282668	 0.098907
+19
+0 3978	2.7871612	1.4745206	1.2900723	2.3963	77.72	-0.23475	0.00721	0.24195999999999998	1073.6606	0.156543	-422.524782	-422.516321	-422.515377	-422.557647	32.193
+C	-0.0514868209	 1.4817179161	 0.2530661422	-0.398131
+C	 0.0583275043	-0.0101912166	 0.0158069305	 0.075081
+O	-1.1809337381	-0.7338761367	 0.3418138509	-0.31975
+C	-0.4433140526	-1.7298107511	 1.1054533379	 0.121314
+C	-0.6518427943	-1.954109775	 2.6246604316	 0.061189
+O	-1.4382997411	-0.8935589483	 3.127769348	-0.418214
+C	 0.8333743066	-1.8674862612	 3.1334977886	-0.279911
+C	 1.4618410688	-0.8477087428	 2.1821387748	-0.203743
+C	 0.7625623606	-0.8554740096	 1.0542846258	 0.178127
+H	 0.9106345334	 1.9693835456	 0.0625909187	 0.115446
+H	-0.7959833641	 1.9179537837	-0.419968616	 0.12701
+H	-0.3543497601	 1.6704418515	 1.2855096342	 0.138054
+H	 0.3422552827	-0.227749001	-1.0234328947	 0.081729
+H	-0.4171950304	-2.6858761333	 0.56442322	 0.075269
+H	-1.1083180789	-2.9280543621	 2.8548388454	 0.058636
+H	-1.4952219902	-0.9989851733	 4.0825966241	 0.283232
+H	 0.8688597643	-1.5360909675	 4.1783368249	 0.097023
+H	 1.3203884163	-2.8519648591	 3.0993569231	 0.108296
+H	 2.2541126336	-0.1689645295	 2.4734869501	 0.099343
+19
+0 3979	2.9071977	1.345792	1.1483456	0.8809	77.68	-0.23929	0.00562	0.24491000000000002	1122.1167	0.157579	-422.542072	-422.533843	-422.532899	-422.574671	32.217
+O	-0.0545803049	 1.4118670164	 0.1353910437	-0.421296
+C	 0.0188100917	 0.0162349276	 0.0502257759	 0.064436
+C	 0.3508817051	-0.7013041697	-1.3214527594	-0.299345
+C	-0.6928929485	-1.8042859335	-0.9520635951	-0.060847
+C	-1.9451185974	-2.1735272885	-1.8002340449	 0.094136
+O	-2.0874495931	-1.3893729828	-2.9724039613	-0.423242
+C	-3.1150277326	-1.905623334	-0.7947390912	-0.270458
+C	-2.5703222533	-0.7778449373	 0.0807705753	-0.27918
+C	-1.2394434202	-0.8229229967	 0.0516794671	 0.250551
+H	-0.7574997204	 1.7029983872	-0.4560153667	 0.274706
+H	 0.7349648503	-0.2949315044	 0.8180300432	 0.106089
+H	 0.0147063091	-0.1014098634	-2.1716395022	 0.102107
+H	 1.386971308	-1.0072703529	-1.4797260313	 0.106576
+H	-0.2204755217	-2.6944241454	-0.5237151253	 0.078398
+H	-1.9252432747	-3.2082684318	-2.1524439599	 0.084453
+H	-2.2719873047	-0.4848885042	-2.694319008	 0.274849
+H	-4.0286566313	-1.6370008545	-1.3363471911	 0.1072
+H	-3.3473227598	-2.8054417363	-0.2088546602	 0.111788
+H	-3.1954133418	-0.0435400658	 0.5754110614	 0.099079
+19
+0 3980	4.8116961	0.8834403	0.8433834	3.6994	78.4	-0.23795	-0.01769	0.22025999999999998	1406.7461	0.156531	-422.560525	-422.551965	-422.551021	-422.593892	31.804
+C	 2.1782467433	-0.5302789096	-1.476894738	-0.40945
+C	 1.8998164433	-0.0060587458	-0.0791148045	 0.140199
+C	 2.631901029	-0.7464560022	 1.069783116	-0.264874
+C	 2.9794651963	 0.3648058673	 2.0455180798	-0.106938
+C	 2.7805590352	 1.6231125928	 1.2876888953	 0.107907
+O	 2.3321104126	 1.3670782724	-0.0038946133	-0.266747
+C	 1.8301635495	 1.298073627	 2.4554392019	-0.16363
+C	 1.9860983151	 2.0868977244	 3.6910867504	 0.153879
+O	 1.0804341044	 2.4429046436	 4.4056585436	-0.271862
+H	 1.8210106512	-1.5601878212	-1.5749478185	 0.120186
+H	 1.6675900091	 0.0822890954	-2.2247317256	 0.132577
+H	 3.2516883018	-0.5101197099	-1.6880649118	 0.124611
+H	 0.8167710885	-0.0328060372	 0.1063519523	 0.086806
+H	 2.0101556453	-1.5371812374	 1.4983075399	 0.116435
+H	 3.5578891755	-1.2054570121	 0.7053159313	 0.111819
+H	 3.8004665942	 0.2308790235	 2.7406405456	 0.103261
+H	 3.4237687315	 2.493051726	 1.3462344448	 0.116396
+H	 0.8099708234	 1.0145426407	 2.2209269909	 0.109764
+H	 3.0441850608	 2.3537414521	 3.93194054	 0.059661
+19
+0 3981	4.5575371	0.8606804	0.8277688	2.8811	77.53	-0.24595	-0.01548	0.23047	1407.0472	0.157256	-422.572836	-422.564328	-422.563384	-422.606092	31.972
+O	-3.7615324963	-1.2718844503	-1.8126977767	-0.436856
+C	-2.4368455096	-1.2020224243	-1.3124579696	 0.117641
+C	-1.5981193012	-0.3049654889	-2.2474137704	-0.232145
+C	-0.565467426	 0.3548245115	-1.3512086189	-0.062403
+C	-1.0063054037	 0.208967481	 0.0717412589	-0.055761
+C	-2.3250434925	-0.5440354454	 0.0897694471	-0.264545
+C	 0.2186017043	-0.5668668944	-0.415761754	-0.109839
+C	 1.5404962211	-0.0952342364	 0.0437786545	 0.155421
+O	 2.4908329098	-0.8040399775	 0.2676237235	-0.273889
+H	-4.2424266209	-1.9313881111	-1.3032014242	 0.283954
+H	-1.9994916238	-2.2098349873	-1.2805621942	 0.077269
+H	-1.1665633882	-0.865769271	-3.0813331807	 0.110833
+H	-2.2613811712	 0.4590881466	-2.668754105	 0.121286
+H	-0.062284011	 1.250700482	-1.698695858	 0.095481
+H	-0.8365176957	 0.9944977577	 0.8004752359	 0.095352
+H	-2.4017715758	-1.2728888508	 0.9037132434	 0.100991
+H	-3.1505912792	 0.1691054287	 0.197943058	 0.11498
+H	 0.1505662701	-1.6417727691	-0.5477437519	 0.101467
+H	 1.6052562695	 1.0125281989	 0.1769361122	 0.060765
+19
+0 3982	5.3623633	0.843973	0.7868432	1.021	77.04	-0.23489	0.07555	0.31044	1476.2595	0.155719	-422.486746	-422.478228	-422.477284	-422.520298	31.634
+C	 5.0516685694	 2.4774247732	 0.1899097122	-0.40041
+C	 4.8016430356	 0.995958221	 0.0015794088	 0.126985
+O	 4.2097120386	 0.4035243267	 1.205342291	-0.308425
+C	 3.0137977001	 0.1170938086	 0.4868624105	 0.088199
+C	 3.2732000661	-0.8578051246	-0.6298627844	-0.082421
+C	 2.090474894	-1.4003624324	-1.355632833	 0.073159
+C	 1.8594240699	-2.8414865757	-1.5116448467	-0.18829
+O	 2.339527012	-2.0568680749	-2.6052743083	-0.239345
+C	 3.5670838119	 0.62262769	-0.8200711341	-0.147073
+H	 5.7728697558	 2.6378314006	 0.9967521738	 0.129545
+H	 5.4590456955	 2.9141650416	-0.7286942037	 0.117605
+H	 4.1241506054	 2.9984464779	 0.4446403667	 0.123462
+H	 5.7275007858	 0.4723822077	-0.2696600962	 0.084488
+H	 2.0648928718	 0.2467141655	 0.9960340482	 0.104704
+H	 4.1073202955	-1.5477262199	-0.5190373476	 0.094828
+H	 1.2169854165	-0.7446874802	-1.3734152685	 0.089831
+H	 2.5767647326	-3.5452896287	-1.0909907549	 0.115197
+H	 0.8439209038	-3.2221089885	-1.614948751	 0.114702
+H	 3.1205446397	 1.217152462	-1.6065153828	 0.103258
+19
+0 3983	5.1661816	0.8295488	0.7730643	2.431	76.78	-0.25666	0.07462	0.33128	1472.9985	0.156393	-422.497993	-422.489518	-422.488574	-422.531476	31.774
+O	 4.2632867794	 1.3756009907	 2.234240985	-0.436256
+C	 4.3371623934	 0.3671872296	 1.2486397264	 0.127737
+C	 4.8798668847	 0.9775842369	-0.0767011095	-0.260072
+C	 3.5506533747	 0.6420581815	-0.7626979285	-0.057865
+C	 3.2735477194	-0.8362012258	-0.6502726832	-0.037091
+C	 2.0858730593	-1.3707892222	-1.3760289994	 0.073676
+C	 1.829733041	-2.8103266518	-1.5096817862	-0.190369
+O	 2.3359306802	-2.0528202941	-2.6102304481	-0.240972
+C	 3.0075636989	 0.0557841268	 0.5370566037	-0.111978
+H	 3.8244581501	 1.0042034828	 3.0067289367	 0.280878
+H	 4.8742928041	-0.5150108454	 1.6280515855	 0.062553
+H	 5.0292806297	 2.049414198	 0.0655487859	 0.123661
+H	 5.7835839264	 0.5348510634	-0.5064734314	 0.097547
+H	 3.0459704826	 1.2512013463	-1.5032767244	 0.090474
+H	 4.1152394146	-1.528356328	-0.6176568523	 0.080602
+H	 1.225474173	-0.6987262449	-1.4099381467	 0.090026
+H	 2.5298371214	-3.5204380802	-1.0702299347	 0.110717
+H	 0.8090097727	-3.1753679756	-1.6185547596	 0.113301
+H	 2.0238203145	 0.147032872	 0.9849159506	 0.08343
+19
+0 3984	2.93359	1.2224772	1.1230664	3.357	77.62	-0.24614	-0.02227	0.22386999999999999	1167.046	0.155252	-422.544593	-422.535415	-422.534471	-422.578169	33.855
+C	-1.1751236984	-0.7808985446	 0.0297760024	-0.520435
+C	-0.4027289818	-1.0359099307	-1.2317610089	 0.349854
+C	 0.7314205489	-1.9835553113	-1.5604262498	-0.08918
+C	 0.1363319196	-2.3177009273	-2.9271592307	-0.295636
+C	-1.0439544916	-1.3366204592	-2.5905515775	 0.051064
+O	-1.2356739059	-0.1963534575	-3.3969780354	-0.432033
+C	 1.0045783559	-0.4857240041	-1.5077194498	-0.16107
+C	 1.801876091	 0.001375855	-0.360665745	 0.117408
+O	 1.8686594043	-0.5325483497	 0.7248896964	-0.274829
+H	-1.9190151119	-1.5701860129	 0.1867604911	 0.114585
+H	-0.5160743752	-0.7568532512	 0.8992042469	 0.157934
+H	-1.7103051426	 0.173695018	-0.0289002938	 0.126053
+H	 1.2657875586	-2.6425666279	-0.8876589409	 0.109818
+H	 0.7452696368	-2.0487402361	-3.7959424224	 0.100504
+H	-0.1945701818	-3.3544859197	-3.0249181498	 0.106597
+H	-1.9851761567	-1.886914735	-2.4534120722	 0.075139
+H	-1.6309619973	-0.4756443187	-4.2289825722	 0.286466
+H	 1.1603989497	 0.057365076	-2.4353322544	 0.098977
+H	 2.3761044683	 0.9318983668	-0.566255784	 0.078784
+19
+0 3985	3.4288309	1.2687942	1.0450566	2.6266	78.18	-0.236	-0.033	0.20299999999999999	1175.8487	0.155652	-422.545354	-422.536662	-422.535718	-422.578263	33.064
+C	 2.304330581	-0.9424525402	-1.1551034611	-0.403165
+C	 1.7768275472	-0.1034303501	 0.0028483719	-0.046464
+C	 2.5476428562	 1.2471382786	 0.2301806289	-0.258765
+C	 3.0367641814	 0.7269931803	 1.5849708878	-0.13336
+C	 1.7921247093	 0.4489044399	 2.4578703491	-0.211321
+C	 2.051487201	 0.0122098213	 3.8316793196	 0.131969
+O	 2.9218487636	-0.7837358099	 4.1486167721	-0.315161
+C	 2.2765654647	-0.5527565222	 1.3789042097	 0.454392
+O	 2.5567808251	-1.8573408112	 1.6571595171	-0.463616
+H	 1.8683247575	-1.9453299936	-1.1421022354	 0.131861
+H	 2.0570502725	-0.4711764599	-2.1120098392	 0.11252
+H	 3.3921260466	-1.0535437221	-1.0993433547	 0.121643
+H	 0.6877577719	-0.0079907856	-0.0680716216	 0.073682
+H	 3.3610942385	 1.3716889458	-0.4887163284	 0.112808
+H	 1.9492866001	 2.1634801734	 0.2518347259	 0.099936
+H	 3.9880122718	 0.9200678582	 2.0662256139	 0.107332
+H	 0.9027424183	 1.0588119281	 2.3119509514	 0.086973
+H	 1.3820713587	 0.4373844077	 4.6074279052	 0.093401
+H	 2.9437095347	-1.8736491585	 2.5511019481	 0.305337
+19
+0 3986	2.780265	1.2046931	1.0288439	3.8462	77.42	-0.23148	-0.01984	0.21164	1233.5797	0.154568	-422.529288	-422.520076	-422.519132	-422.563112	33.751
+C	 1.2093926245	 1.3116074834	 0.0091681436	-0.403977
+C	 0.9474748633	-0.1739189691	 0.1499748952	 0.076154
+O	 1.2953244424	-0.8786148592	-1.0863964043	-0.300421
+C	 2.3494234223	-1.5598146539	-0.4127394123	 0.032381
+C	 1.8042056302	-2.4842278721	 0.6588615665	-0.188791
+C	 0.4957138854	-3.1679580753	 0.535086918	 0.14667
+O	 0.2396663801	-4.2182727619	 1.0774258154	-0.276467
+C	 2.0083388807	-0.9756339687	 0.9232493713	 0.234852
+C	 2.8339410334	-0.4882609693	 2.0778092858	-0.49972
+H	 0.9875596453	 1.8346286519	 0.9456308203	 0.121729
+H	 2.2509934493	 1.5037491992	-0.2640901014	 0.12648
+H	 0.5667683252	 1.7244941736	-0.7736752267	 0.13426
+H	-0.0981581485	-0.3544588392	 0.425209147	 0.088111
+H	 3.2773942119	-1.7320426635	-0.9467999847	 0.115239
+H	 2.5562030927	-3.0855136858	 1.1630530931	 0.107727
+H	-0.2470645401	-2.6632381684	-0.1145500033	 0.092439
+H	 2.252664229	-0.482613821	 3.0067673997	 0.133347
+H	 3.7016300962	-1.1351905614	 2.2375367821	 0.130724
+H	 3.2028529868	 0.5278017106	 1.9044921446	 0.129265
+19
+0 3987	4.1847342	1.0602985	0.9528866	2.1904	75.66	-0.2423	-0.03168	0.21061999999999997	1266.0379	0.155637	-422.53091	-422.522208	-422.521264	-422.565087	31.626
+C	 1.8418191832	-0.5501185928	-1.2001641525	-0.403872
+C	 1.4139874372	 0.0806147555	 0.1154764752	 0.02153
+C	 1.9828462884	 1.4882352605	 0.5017364798	-0.27499
+C	 2.4695089491	 0.9241750158	 1.864775685	-0.080715
+C	 3.8771424465	 0.3151169265	 1.8201481065	 0.041955
+O	 3.3827076631	-0.9414133719	 1.3011012279	-0.310983
+C	 2.0072867283	-0.4960652318	 1.4264069795	 0.102588
+C	 4.5594611075	 0.0971736485	 3.1580123428	 0.127811
+O	 4.5641996034	 0.9020901384	 4.0527094345	-0.240736
+H	 1.4181444197	-1.5535931363	-1.3161094263	 0.117263
+H	 1.5072827062	 0.055291302	-2.049145079	 0.114153
+H	 2.9304879252	-0.6415226998	-1.2487089136	 0.128491
+H	 0.3209617374	 0.0864620205	 0.1946318454	 0.076786
+H	 2.7852027589	 1.8582936325	-0.1439959	 0.100527
+H	 1.2245607742	 2.2694645512	 0.5844129723	 0.107936
+H	 2.1810755244	 1.4294224438	 2.784012132	 0.097881
+H	 4.5954844171	 0.7966112315	 1.1378130739	 0.103862
+H	 1.4114620142	-1.1966010233	 2.0174123691	 0.078553
+H	 5.0570154759	-0.8953140808	 3.2432029675	 0.091958
+19
+0 3988	4.8090278	0.9692912	0.898051	1.8566	77.06	-0.24444	-0.02609	0.21835	1324.3424	0.155837	-422.535915	-422.527293	-422.526349	-422.569769	31.529
+C	 2.3279878458	 1.4301366088	 0.0519470022	-0.403662
+C	 1.8215204086	 0.0339056304	 0.3497478437	 0.1505
+O	 2.1589321762	-0.8966520765	-0.7249437645	-0.305755
+C	 2.9358353035	-1.7079580359	 0.1588030648	 0.100731
+C	 2.1075978365	-2.872312363	 0.8209428889	-0.101269
+C	 1.8262498791	-1.9557548915	 2.0431068645	-0.277549
+C	 2.6175478894	-0.8029779387	 1.3780568084	-0.082
+C	 2.9310111064	-4.1017217738	 1.0880762681	 0.128623
+O	 3.3809391219	-4.4192609861	 2.1610379535	-0.240247
+H	 2.0786657005	 2.1096431657	 0.8744369518	 0.117843
+H	 3.4138850003	 1.4307611812	-0.0846778145	 0.122128
+H	 1.8671505481	 1.8137786375	-0.8634997098	 0.129497
+H	 0.7365401346	 0.0463605779	 0.522583582	 0.077166
+H	 3.9257869612	-1.9453633723	-0.2408262457	 0.084132
+H	 1.2553514825	-3.1411057693	 0.1894167006	 0.101639
+H	 0.7757391117	-1.7481111887	 2.2604246514	 0.102945
+H	 2.3067582462	-2.3504429902	 2.9403847592	 0.133906
+H	 3.3679499885	-0.277294552	 1.9678006516	 0.081033
+H	 3.1435762988	-4.7107497935	 0.1793260938	 0.080337
+19
+0 3989	4.6935294	0.9433947	0.8681004	1.9317	76.51	-0.24912	-0.02172	0.22740000000000002	1331.6871	0.156128	-422.538308	-422.529672	-422.528728	-422.572571	31.837
+O	-0.6791547306	 1.391705912	-4.4584730758	-0.434429
+C	-0.7428871731	 1.327022962	-3.049701947	 0.140749
+C	 0.0960641807	 2.4739819602	-2.4289551325	-0.25322
+C	 0.9935736528	 1.4413193967	-1.7059146676	-0.038516
+C	 0.4643962072	 0.9592098469	-0.308520321	-0.085763
+C	-0.2884189295	-0.2149659675	-0.9861171777	-0.264543
+C	 0.1869197449	 0.2707275404	-2.3761630616	-0.054448
+C	 1.5834211836	 0.5709306068	 0.6211057082	 0.136597
+O	 1.8881228327	-0.5572100539	 0.9162417144	-0.241368
+H	-1.1139417172	 0.6092369782	-4.8138267898	 0.281342
+H	-1.7862982512	 1.2725680123	-2.7039622661	 0.060358
+H	 0.623789665	 3.0121064776	-3.2196338136	 0.121253
+H	-0.4332958369	 3.1945680328	-1.7998273594	 0.097296
+H	 2.0739345664	 1.5652101104	-1.7971588681	 0.075943
+H	-0.1480516643	 1.7151135278	 0.1978565872	 0.086394
+H	 0.1353008299	-1.1745164077	-0.6828018859	 0.130428
+H	-1.3717808283	-0.2427308656	-0.8372211865	 0.095403
+H	 0.6362254459	-0.4561438281	-3.0542014365	 0.070942
+H	 2.1640470318	 1.4383221188	 1.0136022293	 0.075583
+19
+0 3990	3.9776392	0.9150609	0.827704	2.0762	77.24	-0.26317	0.00778	0.27095	1427.2952	0.156015	-422.548468	-422.539684	-422.53874	-422.582935	32.035
+C	-4.4881112942	 3.134231091	 0.8861011622	-0.405561
+C	-3.0088934378	 3.0531103023	 0.5327764797	 0.021237
+C	-2.6380668458	 3.6934975125	-0.8530017474	-0.261269
+C	-2.1897340441	 2.3203223664	-1.3599319052	-0.094067
+C	-1.1271497801	 1.7781250493	-0.4614092248	 0.124158
+O	-0.5788965384	 0.5617876047	-0.9522317362	-0.224509
+C	 0.2564647717	-0.0874158925	-0.1231824142	 0.171949
+O	 0.580020324	 0.261281626	 0.9770743879	-0.296653
+C	-2.5509185487	 1.6881216819	-0.0035595579	-0.082072
+H	-4.7154188894	 2.5408232124	 1.7783989621	 0.117824
+H	-4.7852885663	 4.1694303247	 1.085721698	 0.116012
+H	-5.1096870926	 2.7570180086	 0.0660505645	 0.116099
+H	-2.4071725407	 3.4191445367	 1.3734952094	 0.076297
+H	-3.5243316296	 4.0675483606	-1.3716584922	 0.107603
+H	-1.8760493385	 4.480098122	-0.8508949462	 0.098408
+H	-2.3118414464	 1.9230130474	-2.3600997378	 0.09718
+H	-0.3952921397	 2.4028092548	 0.0438337266	 0.114902
+H	 0.6088868	-0.9977156687	-0.6323254749	 0.110172
+H	-3.0022756835	 0.7266319201	 0.2118890366	 0.092289
+19
+0 3991	4.0816715	0.8375813	0.7471243	1.0323	77.01	-0.23568	-0.02395	0.21173	1521.3305	0.154642	-422.522868	-422.513735	-422.512791	-422.557946	32.73
+C	 0.0887740293	 5.7390369607	-0.0736779346	-0.400461
+C	-0.6964982174	 4.4472588502	 0.0100919892	 0.13044
+O	-1.6538517757	 4.3380772021	-1.0952878841	-0.307084
+C	-0.9491648576	 3.2125465069	-1.6092729888	 0.087978
+C	-0.9772005676	 2.064215918	-0.6442896675	-0.072498
+C	-0.4276109265	 0.7291866468	-1.1204930276	-0.323716
+C	 0.1916096898	-0.0444887864	 0.0262584671	 0.173008
+O	 1.3361678466	-0.414088093	 0.0677337833	-0.237615
+C	 0.0309806628	 3.1873515839	-0.4613452406	-0.137581
+H	 0.8249314984	 5.7898668563	 0.7362599268	 0.118133
+H	 0.6144191809	 5.8120504514	-1.0301731311	 0.124934
+H	-0.5849134087	 6.5959882812	 0.0189095054	 0.129866
+H	-1.2132425035	 4.3634511213	 0.9750546754	 0.082438
+H	-0.8388921812	 3.1184254966	-2.6841656066	 0.10638
+H	-1.8228812727	 2.0103402512	 0.0397743023	 0.095577
+H	-1.2443080923	 0.1272234584	-1.5428811936	 0.123996
+H	 0.3352175072	 0.8630980711	-1.8938955777	 0.121135
+H	-0.5063171254	-0.2428777249	 0.873361853	 0.07411
+H	 1.1008005438	 3.0235879982	-0.4411426602	 0.110961
+19
+0 3992	4.4334868	0.7589253	0.6956853	2.9473	77.01	-0.24854	-0.02366	0.22488000000000002	1593.3292	0.155348	-422.533321	-422.524258	-422.523314	-422.568066	32.903
+O	-0.0446960927	 5.6417754309	-0.2561411033	-0.434034
+C	-0.7628557047	 4.4368253607	-0.1399138185	 0.14985
+C	-1.8108190113	 4.3861409077	 1.0258432296	-0.289244
+C	-1.0321639814	 3.224188009	 1.6572800936	-0.070104
+C	-0.9277339154	 2.0862481417	 0.6797925781	-0.018921
+C	-0.3292654573	 0.7791615645	 1.1680185571	-0.320294
+C	 0.2966119578	-0.0189767919	 0.0405544091	 0.165418
+O	 0.0871975508	-1.1845513767	-0.1731894652	-0.236603
+C	-0.0065258969	 3.2715727587	 0.5199613515	-0.107627
+H	 0.3270812247	 5.852835399	 0.6078534966	 0.277784
+H	-1.1507318462	 4.2334594742	-1.1430267183	 0.091389
+H	-1.7596893641	 5.3096262	 1.6094168562	 0.103641
+H	-2.8570392399	 4.1929251698	 0.76640032	 0.101473
+H	-0.8755818551	 3.0643470103	 2.7180286068	 0.087464
+H	-1.7315549873	 1.9618936727	-0.0468447387	 0.090099
+H	 0.4668822629	 0.9963148291	 1.8954974525	 0.119029
+H	-1.0731007618	 0.1494051693	 1.6656290581	 0.125045
+H	 0.9893454228	 0.5687814094	-0.6053194034	 0.076934
+H	 1.0735143951	 3.1734621416	 0.5450915483	 0.0887
+19
+0 3993	2.9045417	1.265401	0.9715985	2.0556	75.92	-0.23819	-0.02373	0.21446	1226.2731	0.15575	-422.5496	-422.540659	-422.539715	-422.583834	33.035
+C	-1.0863257779	 2.0019792308	 1.1600590895	-0.407584
+C	-1.1366088562	 1.0308143002	-0.0207173461	-0.114756
+C	-2.1610646067	-0.1421096179	 0.0750446216	-0.090207
+C	-2.6480205263	-0.6874074458	-1.2979810229	 0.148827
+O	-3.9409473299	-1.2440397715	-1.3337866758	-0.432018
+C	-1.4644900243	-1.7032179228	-1.3169986881	-0.278742
+C	-0.9831941583	-1.196223899	 0.0805024421	-0.169173
+C	-0.0046945514	-0.0226983775	 0.0066695842	 0.408055
+O	 1.1888966431	 0.0641755395	 0.0545556164	-0.30616
+H	-1.0488369611	 1.4656501822	 2.1142529696	 0.120634
+H	-0.1943692875	 2.6316888129	 1.095629322	 0.137757
+H	-1.9686703995	 2.649103739	 1.1702129183	 0.123506
+H	-1.1881877968	 1.5923775896	-0.961315231	 0.096762
+H	-2.9100627525	-0.0704405637	 0.8649042261	 0.072966
+H	-2.6353340186	 0.0540143963	-2.1024647226	 0.091363
+H	-4.0048842139	-1.9090309463	-0.6394382815	 0.278516
+H	-1.8246379218	-2.7352935651	-1.2872284961	 0.11077
+H	-0.746365984	-1.6176239097	-2.1364755406	 0.118491
+H	-0.7965893164	-1.9484588412	 0.8480442749	 0.090994
+19
+0 3994	3.1384213	1.2333144	0.9799973	2.683	76.14	-0.24673	-0.02814	0.21859	1212.5803	0.155797	-422.546674	-422.537762	-422.536818	-422.58048	32.976
+C	-4.1994269443	-0.9329736205	-1.2352450324	-0.410452
+C	-2.8065939436	-0.3172363922	-1.3028318225	 0.029358
+C	-1.6570840117	-1.3624232867	-1.4639682535	-0.263283
+C	-1.2184364407	-1.1473969581	 0.020905901	-0.148676
+C	-2.2184910625	 0.0907524593	 0.0690873306	-0.066047
+C	-0.9991372981	 1.0758740326	-0.0261636806	 0.044037
+O	-0.8907278377	 2.1048539263	 0.9169921667	-0.443881
+C	-0.1115467041	-0.1453509044	 0.2773821361	 0.352491
+O	 0.9203490721	-0.1893836858	 0.8933807404	-0.324378
+H	-4.2419804127	-1.7386806094	-0.4933138308	 0.117182
+H	-4.9485551294	-0.1840046154	-0.9571203592	 0.121128
+H	-4.4874841645	-1.3557720459	-2.203949876	 0.11803
+H	-2.7965661481	 0.4901702421	-2.0437267758	 0.07461
+H	-2.0000378005	-2.3788348176	-1.6694705191	 0.115093
+H	-0.8921135343	-1.1071109689	-2.2015176999	 0.111725
+H	-1.2500630521	-2.0153335905	 0.6792462109	 0.094346
+H	-2.8758089674	 0.2836877187	 0.9164442546	 0.087895
+H	-0.8917264735	 1.4770444971	-1.0442494871	 0.094073
+H	-0.107916167	 1.9101942092	 1.4495057164	 0.296745
+19
+0 3995	3.0158086	1.2943082	0.9965569	3.7272	76.32	-0.23103	-0.03394	0.19709000000000002	1223.7119	0.155419	-422.541835	-422.53291	-422.531966	-422.575624	32.656
+C	-4.0531627481	-1.0508033352	-1.2561315673	-0.408401
+C	-2.677623699	-0.4158348645	-1.2243965627	 0.147769
+O	-1.6249770325	-1.4271186025	-1.2473096075	-0.307213
+C	-1.1897282639	-1.0833936809	 0.0855540164	-0.013879
+C	-2.1832202114	 0.1229220672	 0.1315514967	-0.105894
+C	-1.0028721994	 1.136342286	 0.0279324329	-0.130522
+C	-0.799244087	 2.0804742418	 1.2139400557	-0.412719
+C	-0.0253653095	-0.066662525	 0.0346004585	 0.409375
+O	 1.1658656372	-0.1567448352	 0.0750941203	-0.295258
+H	-4.1953724879	-1.7224558996	-0.4037898408	 0.122796
+H	-4.8301100775	-0.2787411629	-1.225686689	 0.117688
+H	-4.1801058135	-1.6308211369	-2.1751937702	 0.132569
+H	-2.5574920702	 0.283852868	-2.0622882066	 0.081804
+H	-1.1375709812	-1.9420775813	 0.7603855404	 0.091775
+H	-2.9120861207	 0.2832575565	 0.9245508905	 0.08317
+H	-0.989392917	 1.7027695613	-0.9102796299	 0.102383
+H	-0.8268946562	 1.5383424539	 2.1653013519	 0.121706
+H	 0.173027691	 2.5756941976	 1.1411047439	 0.140334
+H	-1.5786495833	 2.8482170916	 1.2400450271	 0.12252
+19
+0 3996	4.0802193	1.197956	1.1107608	2.9452	74.76	-0.23868	0.07229	0.31096999999999997	1148.4102	0.155792	-422.501752	-422.493444	-422.4925	-422.534232	32.35
+C	-2.8856139266	 1.143608989	 4.9429122037	-0.504813
+C	-2.2738577873	 0.995625498	 3.5887709068	 0.411393
+O	-2.4562082675	 2.0631915638	 2.6459084166	-0.277974
+C	-2.8297630484	 0.731818911	 2.2459665176	-0.059133
+C	-1.5415437843	 0.0067743121	 1.7936525771	-0.117874
+C	-0.4278023744	 0.9050158396	 1.1573800435	 0.169851
+O	 0.4010402157	 0.2953266638	 0.1946541036	-0.441301
+C	 0.1863894789	 1.1305519914	 2.5783340892	-0.285415
+C	-0.94502965	 0.2746611872	 3.2145087152	-0.10731
+H	-2.9339501534	 0.1774975625	 5.455594492	 0.124301
+H	-2.2911231961	 1.8239302659	 5.5638953635	 0.131441
+H	-3.8968130832	 1.5515855576	 4.8630205088	 0.134845
+H	-3.8496607582	 0.6005999711	 1.8994530211	 0.100685
+H	-1.6645142944	-0.999768192	 1.3919555382	 0.069361
+H	-0.8122347921	 1.8123054847	 0.6902163615	 0.104378
+H	 0.7825509311	-0.4992387082	 0.5831445476	 0.274539
+H	 1.1725510651	 0.6633301806	 2.6667117714	 0.090516
+H	 0.2548968931	 2.1686868141	 2.9090370819	 0.112212
+H	-0.6714502882	-0.5443314919	 3.8807076909	 0.070296
+19
+0 3997	4.0451424	1.2103216	1.1344583	0.889	74.75	-0.23598	0.07141	0.30739	1140.659	0.156264	-422.500159	-422.491993	-422.491048	-422.532332	32.136
+C	-0.0512122721	 0.3033220995	-0.1511470933	-0.407081
+C	 1.4336273755	 0.0178636857	-0.0367296153	 0.12883
+O	 2.1646225509	 1.1773434053	 0.4734950005	-0.319563
+C	 2.530436655	 0.4686176409	 1.6802570904	 0.033297
+C	 1.8748029156	-0.8302710922	 1.1821310726	-0.072534
+C	 3.2618198641	-1.5109453952	 1.1794805042	-0.141737
+C	 4.2783003482	-0.7465294047	 0.3508292532	-0.358572
+C	 3.915258925	-0.2298441664	 1.7060756269	 0.378238
+O	 4.8197182733	-0.0939054069	 2.7427891785	-0.462506
+H	-0.4732418321	 0.5811901253	 0.819928217	 0.119553
+H	-0.2281913498	 1.1278470657	-0.848541964	 0.126152
+H	-0.5819209111	-0.5810835086	-0.521569979	 0.113874
+H	 1.8376075642	-0.301314334	-1.0056968209	 0.076328
+H	 2.257599685	 0.990535082	 2.6008474398	 0.08203
+H	 1.0975485997	-1.3441807623	 1.74639533	 0.077417
+H	 3.4425753288	-2.5408730081	 1.4607819398	 0.096289
+H	 5.2496127861	-1.2305539987	 0.3182352912	 0.11255
+H	 4.0069425346	-0.205036319	-0.5487185078	 0.129432
+H	 5.4853430491	 0.5525973018	 2.4820462962	 0.288003
+19
+0 3998	4.1569669	1.2401401	1.1440973	2.6195	75.36	-0.23733	0.0616	0.29893000000000003	1145.7473	0.155474	-422.496253	-422.487965	-422.487021	-422.528674	31.869
+C	 0.3273741967	 0.541483652	-0.0135682185	-0.413338
+C	 0.9414499448	-0.7684707703	-0.463919647	 0.159306
+O	 2.3931241835	-0.6588537919	-0.606188938	-0.30902
+C	 2.6126197079	-1.6693724488	 0.3824644381	 0.045703
+C	 1.1012906055	-1.8707583751	 0.617218119	-0.14567
+C	 1.259275507	-3.3257066139	 0.1120296689	-0.074389
+O	 1.7860790624	-3.270133601	-1.2172615348	-0.267444
+C	 2.7105046616	-3.1488688499	-0.1315559971	 0.402552
+C	 3.8846545833	-4.0702163197	-0.0912261337	-0.512256
+H	 0.7498412357	 0.8697055269	 0.9414048156	 0.116797
+H	 0.5156992612	 1.3226023568	-0.7565937103	 0.128768
+H	-0.7569191981	 0.4328810697	 0.1026313455	 0.113834
+H	 0.4956316118	-1.1189375079	-1.3997982497	 0.094978
+H	 3.3319551073	-1.3891827739	 1.1573918453	 0.077691
+H	 0.6279369736	-1.7267328053	 1.5871003879	 0.080887
+H	 0.680614183	-4.2038558366	 0.3779400487	 0.103387
+H	 4.3495810982	-4.0660666206	 0.8999518709	 0.124482
+H	 3.5779765555	-5.0920571624	-0.3308752513	 0.134812
+H	 4.6418523392	-3.760450638	-0.8203522797	 0.138921
+19
+0 3999	3.9287279	1.1706052	1.0904544	1.4703	74.32	-0.23257	0.07268	0.30525	1148.4333	0.156432	-422.500548	-422.492327	-422.491383	-422.532798	32.661
+O	 0.6196932394	 0.8656677502	 0.569639635	-0.440265
+C	-0.7156900266	 0.5365789519	 0.8799626596	 0.148567
+C	-1.1792110389	 0.8233003759	 2.3502996423	-0.300629
+C	-1.5092004337	-0.6853175401	 2.5425652619	-0.098493
+C	-1.0239197796	-0.9836475255	 1.0928025301	-0.064566
+C	-2.4225856749	-1.5389569688	 0.7432715692	-0.121261
+C	-3.5188225988	-0.517828286	 0.9914836157	-0.361314
+C	-2.9073418188	-1.2339714633	 2.1570310981	 0.395561
+O	-3.6471366417	-2.0517092243	 2.9939272758	-0.463914
+H	 1.1920744223	 0.4424814466	 1.2187836693	 0.27578
+H	-1.3142500288	 1.0185883352	 0.1033596541	 0.089525
+H	-0.3406752883	 1.1621960563	 2.9667777023	 0.095301
+H	-2.0021151421	 1.5327964758	 2.4766738446	 0.099236
+H	-1.0778760214	-1.2049013313	 3.3982878334	 0.075224
+H	-0.1925485356	-1.6624520873	 0.8952951723	 0.066946
+H	-2.609981439	-2.4010099842	 0.1147362542	 0.09356
+H	-3.3856217007	 0.5439480656	 0.8060409911	 0.1127
+H	-4.507006559	-0.8879766828	 0.7351296617	 0.113792
+H	-4.295439344	-1.5081034939	 3.4553004793	 0.284249
+19
+0 4000	2.9731536	1.1802175	1.0279796	1.8912	76.68	-0.2507	-0.02693	0.22376999999999997	1215.3403	0.155124	-422.539227	-422.530096	-422.529152	-422.572973	33.828
+C	-0.2572878417	-0.1718456537	-0.1803457015	-0.493818
+C	 1.2330220397	-0.0307391974	 0.0663227863	 0.210132
+C	 1.6984406547	-0.6409708283	 1.350775595	 0.095951
+O	 2.8410412173	-0.6455907305	 1.7429892986	-0.269975
+C	 2.0646507644	 1.1938553124	-0.3059988759	-0.075724
+C	 1.5647915655	 1.8398782043	-1.6037838428	-0.301841
+C	 1.8037475498	 0.4802445158	-2.3475747846	 0.137948
+O	 2.7650428662	 0.5110597112	-3.3754492513	-0.435238
+C	 2.2994571904	-0.1222228026	-1.0209392637	-0.125196
+H	-0.8286826354	 0.2364631638	 0.6607685275	 0.124666
+H	-0.5869342208	 0.3513939364	-1.0790435026	 0.133703
+H	-0.5379185689	-1.2250056808	-0.2924633772	 0.127835
+H	 0.8877217006	-1.1094804974	 1.9537214621	 0.074461
+H	 2.6771916464	 1.6608329034	 0.4552652027	 0.107174
+H	 0.5571466808	 2.2667126358	-1.6055627725	 0.102205
+H	 2.2592389262	 2.5934906263	-1.9849141436	 0.108201
+H	 0.9233243052	 0.0100432742	-2.7938464603	 0.090657
+H	 3.5840856514	 0.8648579015	-3.010067448	 0.280887
+H	 3.1190006782	-0.8237854444	-0.9158711881	 0.107971
+19
+0 4001	3.3805116	1.0928837	1.0099395	2.8808	77.75	-0.24303	-0.03376	0.20927	1253.9551	0.155341	-422.537964	-422.529131	-422.528187	-422.571169	33.529
+C	 3.4167031401	 3.0199579725	 0.0569888537	-0.404551
+C	 2.3257346809	 2.2348022694	 0.7762203517	 0.001638
+C	 1.9305332093	 0.892002984	 0.063600686	-0.270875
+C	 2.4653987599	 0.1120942362	 1.2678987879	-0.110927
+C	 2.8425197315	 1.4133746557	 1.9684100886	-0.115274
+C	 1.7952595842	 0.4942019466	 2.5815599193	 0.352608
+O	 2.2688725229	-0.2291341383	 3.6714239009	-0.484471
+C	 0.3636728069	 0.836290647	 2.7077479974	 0.072715
+O	-0.2754884682	 0.493894343	 3.6821557661	-0.2954
+H	 3.7679530872	 3.8589153034	 0.6672389538	 0.119833
+H	 4.2794110395	 2.3811306773	-0.1623944385	 0.120107
+H	 3.0445289882	 3.4238757449	-0.8905799021	 0.117739
+H	 1.488830747	 2.9043821476	 1.0018671619	 0.0738
+H	 0.8807979024	 0.7446783466	-0.2064738131	 0.101844
+H	 2.536865041	 0.7262871264	-0.830775229	 0.113089
+H	 2.9909110071	-0.8349077978	 1.2554544923	 0.108585
+H	 3.7097648988	 1.6354368579	 2.5796934085	 0.105669
+H	 1.4960115157	-0.3251356046	 4.2512321879	 0.296087
+H	-0.1040180345	 1.4096102122	 1.8884855466	 0.097784
+19
+0 4002	3.0709687	1.226772	1.0423997	2.144	77.71	-0.24175	-0.02478	0.21697	1210.1138	0.154532	-422.531301	-422.522185	-422.521241	-422.56486	33.585
+C	-0.0048085521	 0.1449023171	 0.0688671315	-0.40039
+C	 1.5081279117	 0.1175301562	 0.1206447211	 0.101222
+O	 2.0489158853	-0.885363291	-0.809099996	-0.297584
+C	 2.5263386473	-1.6410770499	 0.2863985738	 0.086134
+C	 2.111568247	-0.6373891733	 1.3055347298	-0.163659
+C	 3.6069667938	-0.8682960595	 1.0746457281	 0.17705
+C	 4.5196542491	 0.1257544197	 0.3915595597	-0.499037
+C	 4.2128858494	-1.738969293	 2.1151225882	 0.089732
+O	 3.5908890589	-2.4740640995	 2.8491997716	-0.279315
+H	-0.393873884	 0.8626892898	 0.7991703161	 0.122026
+H	-0.3419169666	 0.4487058179	-0.9263505873	 0.131881
+H	-0.4193633559	-0.842018606	 0.2924602408	 0.130942
+H	 1.92816776	 1.1068154327	-0.0939193441	 0.088911
+H	 2.4910348405	-2.7227558604	 0.2452260277	 0.125884
+H	 1.6700081687	-0.7819787748	 2.2820650429	 0.120135
+H	 4.6146572859	 1.0556973458	 0.9623736434	 0.123384
+H	 5.5232490444	-0.2975644934	 0.2750763763	 0.121444
+H	 4.1483128656	 0.3674378303	-0.6067277724	 0.147733
+H	 5.3242364309	-1.6929810385	 2.1599457188	 0.073507
+19
+0 4003	4.5902125	1.064417	1.0381256	1.3925	76.	-0.21417	0.06197	0.27614	1232.619	0.156066	-422.486495	-422.478184	-422.477239	-422.519549	31.244
+C	 0.259716699	-0.4315847411	-0.3167833221	-0.399119
+C	 0.7927594501	 0.7470104336	 0.4711039797	 0.141349
+O	 2.1019650813	 1.1707829498	-0.0352109675	-0.302211
+C	 2.7211867545	 0.7970372721	 1.1955485876	-0.007776
+C	 1.3860640707	 0.4274692088	 1.8416214637	-0.245867
+C	 2.1815238686	 1.6118810757	 2.3196043805	 0.456159
+C	 1.8934034476	 3.1021978943	 2.4404313577	-0.35874
+C	 2.6488461565	 2.9623911398	 3.7814523477	-0.079792
+O	 2.8058098514	 1.5313101707	 3.5994474745	-0.324087
+H	-0.703328146	-0.7587622499	 0.0908536059	 0.115472
+H	 0.112676662	-0.1478853318	-1.3632805128	 0.127571
+H	 0.9602307159	-1.2707655125	-0.2782383852	 0.125619
+H	 0.0827196934	 1.5846920867	 0.4446458562	 0.07956
+H	 3.6952953107	 0.3206075315	 1.17640281	 0.107686
+H	 1.1105459218	-0.3900299561	 2.4954342579	 0.105058
+H	 2.3623868851	 3.7312450036	 1.6830520351	 0.125935
+H	 0.8378669305	 3.3659194411	 2.5334019885	 0.113711
+H	 3.6192767515	 3.4688474952	 3.8292896873	 0.109876
+H	 2.0756461358	 3.1892898386	 4.6862072754	 0.109597
+19
+0 4004	4.5830957	1.0365603	1.0121152	2.3632	75.81	-0.2348	0.07105	0.30585	1245.9848	0.156281	-422.483561	-422.475271	-422.474327	-422.516627	30.932
+C	 0.2545866548	-0.3708563949	-0.3151287224	-0.401565
+C	 0.7998933798	 0.7711437931	 0.5158736207	 0.139509
+O	 2.1080735723	 1.2068030729	 0.0194467004	-0.303291
+C	 2.7271582666	 0.7755994299	 1.2312750251	 0.017872
+C	 1.4059261453	 0.3872912552	 1.8680026417	-0.238658
+C	 2.2088641197	 1.546846918	 2.3931152386	 0.279117
+C	 2.8568680887	 1.6550930858	 3.7705365056	-0.154315
+O	 2.5992610044	 3.0745898685	 3.7946679749	-0.277216
+C	 1.9095711416	 3.0352412471	 2.5214294572	-0.140787
+H	-0.7056228206	-0.7108738286	 0.0886395469	 0.116663
+H	 0.0975018609	-0.0439193911	-1.3472407376	 0.130282
+H	 0.951392727	-1.2141523082	-0.319650708	 0.124692
+H	 0.0948227483	 1.6125591171	 0.5331082697	 0.083947
+H	 3.6985814343	 0.2957324232	 1.1715753597	 0.103934
+H	 1.124011335	-0.4661947544	 2.4724881686	 0.099062
+H	 2.3365086913	 1.1298880706	 4.5832816172	 0.100786
+H	 3.9294390527	 1.4265188367	 3.8261658203	 0.104492
+H	 0.8501786923	 3.3058703437	 2.6243286546	 0.099802
+H	 2.3792429357	 3.6830810055	 1.7724750669	 0.115671
+19
+0 4005	4.2012627	1.0783155	1.0660631	2.2896	75.92	-0.22712	0.07889	0.30601	1205.6699	0.156918	-422.500426	-422.492156	-422.491212	-422.533572	31.274
+O	 0.3248011689	 0.329982705	-0.0347373862	-0.439177
+C	-0.7946317918	 0.4470223788	 0.8214416425	 0.138438
+C	-2.096417802	 0.2436582406	-0.0000608017	-0.247705
+C	-2.4236597365	-1.012749771	 0.8165656643	-0.153652
+C	-1.1145827822	-0.8188324284	 1.6389785397	-0.207953
+C	-2.4558174034	-0.6823619799	 2.2641481471	 0.481583
+C	-3.0399435901	-1.5340408801	 3.3873664761	-0.374904
+C	-3.5845405867	-0.186524827	 3.9091826357	-0.068844
+O	-2.9785521366	 0.5365665583	 2.8136713682	-0.31602
+H	 1.1183224424	 0.3949736613	 0.5065351206	 0.279215
+H	-0.7451457636	 1.3699044639	 1.4135823027	 0.077764
+H	-2.8365904247	 1.0471990054	 0.0307986198	 0.108142
+H	-1.831873288	 0.0190234447	-1.0346062727	 0.119387
+H	-2.8725259978	-1.9206144125	 0.426928904	 0.081084
+H	-0.379143926	-1.5427601295	 1.9768721568	 0.08028
+H	-3.7946180152	-2.260610209	 3.0800074447	 0.115603
+H	-2.3075862452	-2.0229679309	 4.0327182596	 0.114441
+H	-4.675620717	-0.0838120462	 3.9085749752	 0.106583
+H	-3.1927239642	 0.1424024165	 4.8781994036	 0.105738
+19
+0 4006	4.2038716	1.0255581	1.0183362	2.0279	75.48	-0.243	0.06618	0.30918	1233.2612	0.156807	-422.493941	-422.485671	-422.484727	-422.526946	31.204
+O	 0.5820813697	 0.6535046129	 0.095132814	-0.437922
+C	-0.5748428908	 0.9567672675	 0.8441857751	 0.129849
+C	-1.7869283901	-0.0034735419	 0.5764325542	-0.27926
+C	-2.5382905395	 1.1580122232	-0.0869175006	-0.131763
+C	-1.3448739363	 2.0933373234	 0.1728384574	-0.140254
+C	-2.6529952051	 2.305120669	 0.8614964583	 0.29803
+C	-3.5626689741	 3.5191051883	 0.6835640226	-0.154271
+O	-3.8844180409	 3.5090579905	 2.0905873734	-0.276884
+C	-3.0322937393	 2.3694987978	 2.3424066244	-0.145886
+H	 0.9959676658	-0.1226890604	 0.4866037985	 0.282623
+H	-0.3224148566	 1.1196410576	 1.9033418241	 0.062706
+H	-1.4859395757	-0.7720101037	-0.1388141728	 0.110584
+H	-2.2691825788	-0.4759025462	 1.4393546587	 0.092016
+H	-3.1752019872	 1.0833897625	-0.9614455924	 0.087249
+H	-0.8895491776	 2.8454499459	-0.4611838933	 0.095563
+H	-3.0673515656	 4.4516840753	 0.3823007642	 0.102868
+H	-4.4515406962	 3.3669805914	 0.0569085635	 0.101912
+H	-2.2197808818	 2.6135218585	 3.0395863204	 0.101441
+H	-3.5976202798	 1.5137738482	 2.7344090302	 0.101399
+19
+0 4007	4.1728107	0.8805642	0.8639286	1.8837	77.51	-0.24484	-0.01403	0.23081000000000002	1412.4579	0.15535	-422.548304	-422.539156	-422.538212	-422.582648	33.509
+C	-1.1477527427	-2.4836277843	-2.3228066498	-0.488155
+C	-0.9191417371	-0.9845547372	-2.3184174824	 0.367352
+O	-1.7249078266	-0.2063023087	-2.7856734026	-0.323274
+C	 0.3609993738	-0.514953107	-1.7047304461	-0.138049
+C	 0.9550594336	 0.7448822265	-2.3078735877	-0.041904
+C	 2.3225364841	 1.0185637643	-1.670168142	-0.296286
+C	 1.6252531975	 1.0802176844	-0.2640743784	 0.142378
+O	 1.7203117249	 2.3120683752	 0.4086379291	-0.433444
+C	 0.2794943782	 0.8063534415	-0.956455378	-0.090067
+H	-1.129575317	-2.8721436637	-1.2979207887	 0.141117
+H	-2.1066517356	-2.7131847152	-2.7883290984	 0.141904
+H	-0.3406122427	-2.9881609875	-2.8665652759	 0.140402
+H	 1.0287660212	-1.2895816608	-1.3332923166	 0.082137
+H	 0.5862787188	 1.096347234	-3.2630016545	 0.108404
+H	 3.1025527565	 0.2660232158	-1.8252456987	 0.100398
+H	 2.7270631499	 2.0015157886	-1.9270198461	 0.106899
+H	 1.9444780636	 0.327355273	 0.463277563	 0.090545
+H	 1.4103076997	 3.0038932602	-0.1869744688	 0.28066
+H	-0.68520664	 1.2162331811	-0.6828412972	 0.108982
+19
+0 4008	4.541228	0.9040844	0.8620081	2.0963	78.39	-0.23659	-0.0133	0.22329	1415.8697	0.154542	-422.538316	-422.529091	-422.528147	-422.572652	33.424
+C	 0.3300533937	 1.8071677239	 5.5470074078	-0.401066
+C	-0.3379167867	 1.5176670218	 4.2196664962	 0.113045
+O	-0.4100765643	 0.0715416615	 3.9679865036	-0.304724
+C	 0.464391059	 0.2224997766	 2.8634770557	 0.123875
+C	 0.5371348341	 1.7038405577	 2.97944498	-0.127027
+C	-0.1737211072	 1.0872160816	 1.7767291471	-0.1854
+C	 0.581229546	 1.1244299104	 0.4945544697	 0.369886
+C	-0.2462658473	 1.074709194	-0.7754376333	-0.487721
+O	 1.7961922964	 1.1717039765	 0.4745071578	-0.331309
+H	-0.2622694173	 1.3872804383	 6.3651618169	 0.131433
+H	 1.3315621158	 1.3691400767	 5.581267229	 0.12988
+H	 0.4141690681	 2.8885086114	 5.7010277238	 0.12
+H	-1.338731688	 1.9646483583	 4.1735017923	 0.086049
+H	 1.1983686352	-0.5433409144	 2.6464422351	 0.12606
+H	 1.3736025174	 2.3762915905	 2.8511369605	 0.12116
+H	-1.2588288423	 1.1082963498	 1.7277598601	 0.09243
+H	-0.9170499125	 1.940465048	-0.8231974153	 0.140079
+H	 0.4103970654	 1.0697255455	-1.6459826265	 0.141494
+H	-0.8810774557	 0.1813187719	-0.7821097005	 0.141857
+19
+0 4009	3.598987	1.2339637	1.052991	2.9108	76.75	-0.24273	0.00345	0.24618	1180.8857	0.157474	-422.557289	-422.54904	-422.548096	-422.589979	31.627
+C	 0.3054837341	 0.5619192311	 0.1557154659	-0.404689
+C	 0.8354368954	-0.7330440506	-0.4301651046	 0.157984
+O	 2.1789782894	-0.5879471169	-0.9528532371	-0.306273
+C	 2.7312946242	-1.4679533016	 0.0494564805	 0.07737
+C	 1.3161104672	-1.8152554685	 0.5810685536	-0.143472
+C	 1.1205988675	-3.2387408064	 0.1454485046	-0.088484
+C	 2.179514621	-3.7264063802	-0.5070752074	-0.120812
+C	 3.3374741705	-2.7563103757	-0.5458066887	 0.071103
+O	 4.4755850293	-3.2379577029	 0.1639168143	-0.428129
+H	 0.9571858344	 0.9268984792	 0.9559214273	 0.120123
+H	 0.250785774	 1.3329748044	-0.6188497881	 0.128724
+H	-0.7002218533	 0.4145070223	 0.5652097575	 0.113691
+H	 0.1578548717	-1.1102693613	-1.2067926136	 0.078007
+H	 3.4432686802	-0.9556716224	 0.7051271659	 0.079959
+H	 1.0616276134	-1.6169871958	 1.6252065959	 0.078026
+H	 0.1935932163	-3.7768438883	 0.3164335171	 0.101634
+H	 2.2536178058	-4.7200235479	-0.9354604768	 0.102612
+H	 3.6923438684	-2.5484854733	-1.5609057388	 0.106358
+H	 4.1584580205	-3.6174450653	 0.9909152627	 0.276267
+19
+0 4010	3.5552629	1.1812945	1.0301446	2.5332	76.52	-0.24491	0.00761	0.25251999999999997	1184.6955	0.157692	-422.560414	-422.552129	-422.551185	-422.593374	32.026
+O	-4.9074938715	-0.1264760932	-0.6150242687	-0.434021
+C	-3.9924021827	-0.3132147445	 0.4456253256	 0.124157
+C	-2.8052788595	-1.1744344936	-0.0409086567	-0.245636
+C	-1.8673683093	 0.0679830989	-0.0244398202	-0.045924
+C	-3.0082006225	 0.8901258728	 0.6658566857	-0.107396
+C	-2.5035551506	 1.0567556224	 2.0692954913	-0.0883
+C	-1.2816983075	 0.5464308738	 2.2460402283	-0.119582
+C	-0.6798412552	 0.0241516467	 0.9598087532	 0.090937
+O	 0.4505237666	 0.7937169256	 0.5503531005	-0.435156
+H	-5.5672799689	 0.5147843884	-0.330954972	 0.280057
+H	-4.5031452473	-0.663741544	 1.3529896682	 0.062096
+H	-2.5084525703	-1.9599428988	 0.6589509914	 0.100644
+H	-2.9845472453	-1.6201247935	-1.0206389448	 0.116728
+H	-1.5447784915	 0.3993104049	-1.011665071	 0.078808
+H	-3.3561748584	 1.8202091047	 0.2040350722	 0.0683
+H	-3.1004072378	 1.5170803536	 2.8514083644	 0.095353
+H	-0.7267041194	 0.5430233935	 3.1780121726	 0.098733
+H	-0.2889450324	-0.9956524765	 1.0595581196	 0.087099
+H	 0.1942530936	 1.721413169	 0.60027687	 0.273101
+19
+0 4011	4.4384799	1.1359269	1.0381913	3.1089	76.14	-0.24089	0.05605	0.29694	1204.3498	0.156208	-422.499463	-422.491293	-422.490349	-422.532403	31.064
+C	 0.2631026108	 0.2088000309	-0.439225252	-0.406564
+C	 1.0384583538	-0.424872499	 0.6993412816	 0.159754
+O	 2.4636391584	-0.488738401	 0.405009509	-0.304145
+C	 2.4516250247	-1.9267722054	 0.377711821	 0.00351
+C	 0.9566538878	-1.9590044131	 0.829930679	-0.091257
+C	 1.3857643669	-2.4989686999	 2.2266301704	-0.362495
+C	 2.8331704817	-2.5728865407	 1.7104254143	 0.466419
+C	 3.8394959271	-3.6098688715	 1.9547699005	-0.264781
+O	 3.9940457024	-2.2738803222	 2.4511851538	-0.256329
+H	-0.806561047	 0.2407476311	-0.2034573917	 0.114222
+H	 0.6098693446	 1.2330159439	-0.6072512471	 0.130031
+H	 0.3991353065	-0.354869563	-1.367664374	 0.119807
+H	 0.8601462208	 0.1207654851	 1.6358271493	 0.079403
+H	 2.8721701228	-2.3322333356	-0.5470292912	 0.075114
+H	 0.1622216119	-2.4799535931	 0.2984615015	 0.078426
+H	 1.2311897316	-1.7963016338	 3.0502526333	 0.117221
+H	 0.9553479933	-3.4647625524	 2.5023434577	 0.109697
+H	 3.6521397068	-4.3722254309	 2.7103806885	 0.114785
+H	 4.5312534649	-3.8961753594	 1.1631523963	 0.117181
+19
+0 4012	4.4415127	1.1660273	1.0727527	1.0369	76.17	-0.2318	0.06375	0.29555	1187.8415	0.155935	-422.497493	-422.489307	-422.488363	-422.530202	31.408
+C	 0.2155817648	 0.1605087053	-0.3476155763	-0.40583
+C	 1.1401753346	-0.3502095607	 0.7380699813	 0.126117
+O	 2.5083192522	-0.5064507506	 0.2458263859	-0.310353
+C	 2.4970022688	-1.9177742768	 0.5100546524	-0.045413
+C	 1.0654040215	-1.8550012872	 1.0769458648	 0.042235
+O	 1.5231868062	-2.177286839	 2.4030898627	-0.32273
+C	 2.8794134878	-2.2937165383	 1.9339873387	 0.448491
+C	 4.0544188355	-1.8944817774	 2.7526205858	-0.326937
+C	 3.7967860597	-3.3620353419	 2.4300477591	-0.343318
+H	 0.1929674629	-0.5262789528	-1.1999025031	 0.120477
+H	-0.8033144566	 0.2726090035	 0.0389180752	 0.119397
+H	 0.5581491135	 1.13550998	-0.7066622959	 0.132657
+H	 1.1122858097	 0.2864753374	 1.6299670215	 0.091947
+H	 2.8751500472	-2.5162212365	-0.3205726424	 0.08828
+H	 0.1925863594	-2.4331986318	 0.7698527227	 0.088684
+H	 4.8728549005	-1.3796780939	 2.2609088187	 0.12652
+H	 3.8542212308	-1.5692978104	 3.7677738781	 0.127063
+H	 4.4429520334	-3.8622713198	 1.715524088	 0.116718
+H	 3.4283266681	-3.992076989	 3.2324412429	 0.125994
+19
+0 4013	4.024495	1.11711	1.0223286	0.8841	74.94	-0.25715	0.06482	0.32197	1195.3721	0.156477	-422.504815	-422.49668	-422.495736	-422.537637	31.549
+O	 0.3018137829	-0.23991353	 0.3715951994	-0.43253
+C	-0.8251610847	 0.4443104954	 0.8595240436	 0.16264
+C	-1.1497494962	 0.3179629579	 2.3792350623	-0.275524
+C	-1.2855423231	 1.8561010955	 2.4731001566	-0.134162
+C	-0.7356624404	 1.999166488	 1.0041118862	-0.074789
+C	-2.0135077792	 2.7688259678	 0.581913122	-0.333229
+C	-2.6108650913	 2.4401315267	 1.9576572815	 0.462145
+C	-3.9846425925	 2.1000814145	 2.3371242612	-0.267474
+O	-3.3948858346	 3.358041832	 2.6958774192	-0.272212
+H	 1.0544981182	-0.0166842315	 0.9298139406	 0.277056
+H	-1.6502066979	 0.1341384446	 0.2104544132	 0.089011
+H	-2.0088176583	-0.2936088837	 2.6693666771	 0.101282
+H	-0.2712744414	-0.0418569262	 2.9263155171	 0.09575
+H	-0.8635782348	 2.3701698303	 3.3374410053	 0.081791
+H	 0.2348743626	 2.4337208031	 0.7612518561	 0.068083
+H	-1.8428905188	 3.8449138479	 0.4828390572	 0.118759
+H	-2.544544592	 2.4105257223	-0.3052963514	 0.10413
+H	-4.7801787565	 2.1530774363	 1.5945335029	 0.114571
+H	-4.1680553421	 1.4182413492	 3.16693528	 0.114701
+19
+0 4014	4.3660389	1.1276921	1.0414252	0.3021	75.47	-0.22348	0.0666	0.29008	1191.218	0.156349	-422.502767	-422.494601	-422.493657	-422.535564	31.727
+O	 0.3195947867	-0.133541714	 0.3487263527	-0.430442
+C	-0.9080013357	 0.3157376369	 0.8800968386	 0.114905
+C	-2.0871792949	-0.4792072506	 0.2550196335	-0.253404
+C	-2.6710983579	 0.8273785732	-0.3445311223	-0.180738
+C	-1.47583498	 1.6235347714	 0.2538418322	 0.059624
+O	-2.341951684	 2.3323904312	 1.164510582	-0.321366
+C	-3.4936102991	 1.669344668	 0.6209926122	 0.472753
+C	-4.6760716228	 1.3258925458	 1.4626190311	-0.335516
+C	-4.7692518397	 2.4073940921	 0.3903469981	-0.343515
+H	 1.0208301377	 0.4214211274	 0.7064558947	 0.283787
+H	-0.8980906572	 0.3588001342	 1.9770835905	 0.075692
+H	-1.7096644326	-1.1624558043	-0.5085543399	 0.118772
+H	-2.7335511169	-1.0266055673	 0.9443933815	 0.103437
+H	-2.9651131159	 0.8346723551	-1.3930739596	 0.080572
+H	-0.7916301527	 2.2771372203	-0.2940586036	 0.076368
+H	-5.1802281225	 0.3794614619	 1.2942511031	 0.115768
+H	-4.6569861117	 1.6527781477	 2.4967287993	 0.124674
+H	-5.335824398	 2.1972233115	-0.5113350763	 0.114183
+H	-4.8091784128	 3.4384076395	 0.7252108224	 0.124446
+19
+0 4015	3.1555723	1.3506622	1.0753863	4.4367	74.75	-0.25925	0.01188	0.27113	1152.2274	0.158401	-422.596525	-422.588505	-422.587561	-422.629308	30.338
+C	-3.9557985578	-2.1902272881	-0.9330310111	-0.415667
+C	-2.7328528619	-1.2872772706	-0.9067670419	 0.03591
+C	-1.3365158086	-1.9383384424	-1.1449445313	-0.246275
+C	-0.7897900395	-1.1436739122	 0.0716371722	-0.177175
+C	-2.2336261035	-0.7769688853	 0.4848694599	-0.045782
+C	-2.1984086977	 0.7334052676	 0.7100530303	-0.10531
+O	-1.033919092	 1.2122198313	 0.0137605812	-0.224596
+C	-0.1803577548	 0.1985262301	-0.3146424314	 0.435469
+O	 0.872460547	 0.4038051109	-0.8455238622	-0.344585
+H	-3.831724266	-3.0415958023	-0.2538265363	 0.114864
+H	-4.8585510189	-1.6490156522	-0.6281152306	 0.117284
+H	-4.1306146363	-2.5891744715	-1.9380457546	 0.122682
+H	-2.8835489613	-0.439609094	-1.5852355603	 0.0851
+H	-1.3485205602	-3.0135384258	-0.9460141393	 0.10618
+H	-0.8453132625	-1.7630639271	-2.1044350079	 0.122291
+H	-0.1254856047	-1.6670064488	 0.761228477	 0.104288
+H	-2.65885272	-1.3239163701	 1.3280855748	 0.079185
+H	-3.0690448727	 1.2551758059	 0.301446583	 0.120752
+H	-2.0978472886	 0.9960335547	 1.7696638585	 0.115385
+19
+0 4016	3.2663749	1.3383716	1.1080852	2.1523	75.58	-0.23834	-0.0241	0.21423999999999999	1134.4676	0.157142	-422.56654	-422.558259	-422.557315	-422.599736	31.024
+C	-3.2654681557	-0.467301713	-2.5396769178	-0.406853
+C	-2.6395272383	-1.2040938751	-1.3674943271	 0.024085
+C	-1.151058952	-1.6551503123	-1.4556620256	-0.259624
+C	-0.9441961076	-1.1761880887	 0.0250339328	-0.150561
+C	-2.2814863798	-0.4102326506	-0.0833351452	 0.089541
+O	-1.9174108987	 0.941735322	-0.3901467792	-0.269654
+C	-0.6295619143	 1.2324171955	 0.1165785039	-0.183344
+C	 0.1060682697	-0.1074429543	 0.2522550801	 0.368616
+O	 1.273060341	-0.2514264757	 0.5057282694	-0.307464
+H	-3.2850240778	-1.1037975558	-3.430836701	 0.113266
+H	-4.2961001373	-0.1693799354	-2.3187984886	 0.117175
+H	-2.6980119581	 0.4372503107	-2.7718290714	 0.129775
+H	-3.2592656274	-2.0611837146	-1.0802661069	 0.076591
+H	-0.9612271462	-2.7141535909	-1.6368205267	 0.114766
+H	-0.5679250079	-1.0716094867	-2.1733548682	 0.113696
+H	-0.8701469409	-1.9870078525	 0.7490897064	 0.100706
+H	-2.990835725	-0.4300888138	 0.7526364662	 0.070907
+H	-0.1101228216	 1.9123277857	-0.5659498543	 0.136879
+H	-0.6718960322	 1.7130355253	 1.1082036931	 0.121497
+19
+0 4017	3.2565232	1.3306824	1.07849	3.9248	75.07	-0.23	-0.02883	0.20117000000000002	1153.5686	0.157402	-422.572904	-422.564697	-422.563753	-422.605885	30.937
+C	-3.1401331158	-2.5930537534	-1.644312186	-0.408338
+C	-2.271001993	-1.3802185706	-1.3820281141	 0.161317
+O	-0.8700061797	-1.7415522382	-1.2192189479	-0.314977
+C	-0.8460066854	-1.229844596	 0.1357986194	 0.025047
+C	-2.3134698108	-0.755340685	 0.0332531726	-0.096225
+C	-2.2928036233	 0.7867320195	 0.0965220055	-0.245396
+C	-0.8627936203	 1.1989313996	-0.3071155064	-0.327819
+C	 0.0122116168	 0.0440763863	 0.1866285276	 0.40675
+O	 1.1502500924	 0.1099617149	 0.569599554	-0.30761
+H	-3.0523549247	-3.3202013153	-0.8310638764	 0.123254
+H	-4.1911257007	-2.2967549031	-1.7362024242	 0.11732
+H	-2.8392703188	-3.0822978108	-2.5757783743	 0.131693
+H	-2.3859241785	-0.6479150178	-2.193721173	 0.07596
+H	-0.5361538419	-1.9820236636	 0.865867467	 0.090377
+H	-3.0423329503	-1.205290652	 0.7083069963	 0.081462
+H	-3.0630791475	 1.2329186508	-0.5396405177	 0.108214
+H	-2.4941694044	 1.1121593486	 1.1230577564	 0.112312
+H	-0.7599518436	 1.2545848311	-1.3982875305	 0.139824
+H	-0.5273193505	 2.1522785547	 0.1038046919	 0.126836
+19
+0 4018	3.0188409	1.3216823	1.0518936	2.4174	74.53	-0.23691	-0.02095	0.21596	1153.9056	0.157584	-422.580535	-422.572328	-422.571384	-422.61368	31.389
+O	-3.3817562016	-1.9537467053	-2.0502047163	-0.432674
+C	-2.2936830518	-1.2034208054	-1.5778265227	 0.162019
+C	-0.914410228	-1.8964615282	-1.3938841419	-0.278192
+C	-0.7641101074	-1.1625853537	-0.0259987546	-0.13938
+C	-2.2648072469	-0.7641456883	-0.0776274228	-0.060033
+C	-2.3647554747	 0.7421333876	 0.2229490089	-0.242449
+C	-1.0038965568	 1.3200205492	-0.2078491936	-0.323805
+C	 0.0003955296	 0.1615198885	-0.0946953952	 0.402706
+O	 1.1986987994	 0.275814469	-0.0597407339	-0.318355
+H	-3.4704485347	-2.7362811516	-1.4954685038	 0.277843
+H	-2.2301288415	-0.3410066745	-2.2494511754	 0.090441
+H	-1.029227773	-2.9755388544	-1.2500197273	 0.101743
+H	-0.1452192021	-1.7269319853	-2.1512617085	 0.117621
+H	-0.38282347	-1.7639853292	 0.8012123567	 0.096338
+H	-2.9382871025	-1.3736959032	 0.5307061429	 0.064855
+H	-3.2108335298	 1.2084751726	-0.2908306058	 0.110749
+H	-2.5130723671	 0.898247621	 1.2973539559	 0.107286
+H	-1.0128660507	 1.6420835315	-1.2574714478	 0.134443
+H	-0.6645881103	 2.1781985898	 0.3763270252	 0.128846
+19
+0 4019	3.9102538	1.3420622	1.2474203	2.49	73.98	-0.22849	0.06632	0.29481	1064.0822	0.157375	-422.536857	-422.528923	-422.527979	-422.56886	31.336
+C	-3.1205041288	 0.440239726	-3.1572313099	-0.500928
+C	-1.8591699789	 0.4257573121	-2.3602637775	 0.483632
+O	-0.7354865279	-0.284147711	-2.906177589	-0.340418
+C	 0.1650024513	 0.5915292466	-2.1572157937	 0.055937
+C	-1.0113469799	 1.486871941	-1.7184379211	-0.242343
+C	-1.7383470548	 0.4625715113	-0.8490367404	-0.131064
+C	-0.7429409039	-0.5130704336	-0.2217718956	-0.270357
+C	 0.612063288	-0.16907635	-0.9056316147	 0.136303
+O	 1.4660459815	 0.624440504	-0.0967930739	-0.438443
+H	-3.873937956	 1.0654332723	-2.6693187421	 0.123879
+H	-2.9412410081	 0.8290261932	-4.1643998756	 0.130883
+H	-3.5271264578	-0.5730390711	-3.2494960502	 0.133254
+H	 0.9618912137	 0.9990706151	-2.7801905601	 0.083484
+H	-1.0895027143	 2.5648111718	-1.684858106	 0.096035
+H	-2.6165274816	 0.784126071	-0.299777951	 0.087229
+H	-0.6532066927	-0.3681938496	 0.858902799	 0.102855
+H	-1.0268539752	-1.5543160814	-0.3979127301	 0.112438
+H	 1.1877277957	-1.061950276	-1.1619917156	 0.095038
+H	 0.9695452297	 1.4065654384	 0.1715159477	 0.282588
+19
+0 4020	3.9187257	1.3388875	1.229304	0.6101	74.07	-0.21922	0.08008	0.2993	1068.9872	0.157178	-422.534344	-422.526431	-422.525487	-422.566215	31.45
+C	 0.0215940708	 0.5566891205	 0.071394192	-0.403691
+C	 1.4176717305	-0.0556978246	 0.0798600022	 0.135599
+O	 1.5965788359	-0.8927049498	 1.2437132491	-0.281879
+C	 1.4960455914	-2.2318352294	 0.8120024925	 0.028005
+C	 1.0969576551	-2.3570084871	-0.6231365646	-0.178185
+C	 1.702930554	-1.0036278149	-1.0923577568	-0.067676
+C	 3.1354040332	-1.6197365471	-0.9536931025	-0.310457
+C	 2.4999503208	-2.7786984452	-0.188559329	 0.341471
+O	 2.9872664079	-4.0708835255	-0.1316443601	-0.460814
+H	-0.1587523163	 1.0958756405	 1.0054193298	 0.124692
+H	-0.0901351508	 1.2602670076	-0.7607767085	 0.109707
+H	-0.7436704	-0.2201874215	-0.0269550579	 0.121064
+H	 2.1749443391	 0.7354357378	 0.1397001755	 0.08048
+H	 1.1101398414	-2.912673609	 1.5618829815	 0.102395
+H	 0.2597457043	-2.9101559258	-1.0259714317	 0.095349
+H	 1.4268838173	-0.6174595495	-2.0723358408	 0.077147
+H	 3.5199132566	-1.9590492064	-1.9186522785	 0.107153
+H	 3.8937644856	-1.0152003912	-0.4429363233	 0.092604
+H	 3.5858319732	-4.1361673895	 0.6210765411	 0.287038
+19
+0 4021	3.529996	1.4478062	1.3306688	1.8665	74.84	-0.2127	0.07657	0.28927	1045.8187	0.156588	-422.521625	-422.51371	-422.512766	-422.553536	31.114
+C	-0.0121432083	 0.1951254891	 0.3859967585	-0.403803
+C	 1.3847025625	-0.1005482944	-0.1310838869	 0.144488
+O	 2.1123560503	-0.8608236905	 0.8575582233	-0.28093
+C	 3.4317346834	-0.3773574622	 0.8770220795	 0.029811
+C	 3.7163898213	 0.5727384299	-0.2535712921	-0.266006
+C	 2.2775309462	 1.121858639	-0.3416649532	 0.045065
+O	 2.4110873257	 1.7905679148	 0.9519680957	-0.331718
+C	 3.6517392714	 1.1027485346	 1.1653728513	 0.44229
+C	 4.6436710008	 1.7167209947	 2.0935701866	-0.502422
+H	 0.0482052355	 0.8338216457	 1.2695992204	 0.141792
+H	-0.6051882844	 0.7003696646	-0.3835098398	 0.108904
+H	-0.5204128777	-0.7349214426	 0.6535259978	 0.125687
+H	 1.3349388673	-0.6823063767	-1.0671806607	 0.067584
+H	 4.1632626568	-1.1047096805	 1.2099582279	 0.10427
+H	 4.4849370982	 0.5271366219	-1.0133883137	 0.09764
+H	 1.9911770093	 1.8079242869	-1.1399250031	 0.084557
+H	 4.2282079684	 1.7853300784	 3.1048838803	 0.137342
+H	 5.5513633007	 1.1075608221	 2.1389711642	 0.125155
+H	 4.9174202726	 2.7246356951	 1.765321344	 0.130294
+19
+0 4022	3.7822702	1.3122015	1.2119464	1.5419	73.71	-0.24707	0.07539	0.32246	1065.0948	0.15796	-422.545557	-422.537715	-422.536771	-422.577361	31.587
+O	 0.4782309482	 0.4110275358	 0.2423813657	-0.44168
+C	-0.7298883943	-0.1872365301	 0.6907386255	 0.152419
+C	-0.9928439799	 0.0715533083	 2.2019689916	-0.277192
+C	-2.0043938816	 1.2161877246	 2.205981252	-0.119239
+C	-2.2476569702	 1.7383130069	 0.7992603887	-0.16775
+C	-1.9540989215	 0.4325183765	 0.003768932	-0.066048
+C	-3.2929598623	-0.1670762244	 0.5545889919	-0.320332
+C	-3.3501010163	 1.0085139859	 1.5294461673	 0.406908
+O	-4.5130698039	 1.5660261228	 2.0293424526	-0.468391
+H	 0.40007433	 1.3608700897	 0.3904791308	 0.279727
+H	-0.6223802582	-1.2521645611	 0.4641293189	 0.083248
+H	-1.3725942218	-0.8221679185	 2.7092265577	 0.097186
+H	-0.0537263318	 0.3472949858	 2.690413035	 0.105057
+H	-2.0234185886	 1.9350504986	 3.0178219698	 0.086225
+H	-2.1775661577	 2.7686964984	 0.4782094261	 0.092785
+H	-1.8613874032	 0.489951048	-1.0797790982	 0.076978
+H	-4.0934043613	-0.0906414931	-0.1850707659	 0.110924
+H	-3.2693001774	-1.1873133695	 0.9570923371	 0.085339
+H	-4.7319486182	 1.1235882854	 2.8568922312	 0.283837
+19
+0 4023	3.2960572	1.5727383	1.3230551	1.4494	73.86	-0.21478	0.0723	0.28708	1015.8627	0.158328	-422.516196	-422.508847	-422.507903	-422.54764	29.577
+C	 3.6471230553	-0.5186689034	-1.6234209884	-0.402531
+C	 2.2477199308	-0.1516949926	-1.1548432401	 0.158982
+C	 1.511011333	-1.3276591162	-0.4906296511	-0.240586
+C	 0.2472686003	-0.8212166934	 0.1952654307	 0.075481
+O	-0.4490845205	 0.152550175	-0.6493628653	-0.300598
+C	-0.1344322346	 1.1918685701	 0.2754624587	 0.036942
+C	 1.3424346056	 1.2813808541	 0.5758444981	 0.109224
+O	 2.4026038211	 0.9724592864	-0.2749638631	-0.289036
+C	 0.5188813559	 0.2388623061	 1.27181363	-0.197121
+H	 4.2639700429	-0.8442171044	-0.7798120154	 0.11862
+H	 3.6043996821	-1.3279026867	-2.3591255468	 0.112439
+H	 4.1297025838	 0.3460753916	-2.0869004028	 0.12436
+H	 1.6442198152	 0.1684003374	-2.0133722547	 0.093846
+H	 1.2700283016	-2.065481534	-1.2638989568	 0.106842
+H	 2.1477703854	-1.8220187659	 0.2539320146	 0.103981
+H	-0.4398456397	-1.6180512295	 0.4916170422	 0.084337
+H	-0.8507940642	 1.9995475768	 0.3823148588	 0.103475
+H	 1.6106214632	 2.1384973656	 1.1873821601	 0.106808
+H	 0.4265432628	 0.1055191328	 2.3418938314	 0.094535
+19
+0 4024	3.1732069	1.7341074	1.4916264	1.611	73.38	-0.24177	0.08709	0.32886000000000004	949.6076	0.158546	-422.527884	-422.520585	-422.51964	-422.559229	29.485
+C	-1.4220298679	-2.0782412877	-1.2780637029	-0.403359
+C	-1.5545606909	-0.8622049587	-2.1925636083	 0.217246
+O	-0.328812823	-0.4947570496	-2.802248378	-0.264668
+C	 0.1256026815	-1.4105569837	-3.7671054616	 0.099912
+C	-0.1706770602	-1.1729195339	-5.221303942	-0.10432
+C	-1.4828698124	-0.4007081876	-5.3348378295	-0.253984
+C	-2.167535071	-1.4796768461	-4.4201099913	 0.114288
+O	-2.5988984262	-1.0536460154	-3.1410780134	-0.286593
+C	-0.8700072072	-2.3003075031	-4.4394230776	-0.149005
+H	-1.1295139391	-2.969716793	-1.8378495531	 0.121615
+H	-0.6719840504	-1.883017043	-0.5058384247	 0.119049
+H	-2.3832975405	-2.2754034863	-0.7959932424	 0.124695
+H	-1.8417042683	 0.0145111627	-1.6029546352	 0.092008
+H	 1.0975140093	-1.8354901994	-3.5325959883	 0.095706
+H	 0.5991736458	-1.2566038273	-5.9780905463	 0.089358
+H	-1.4865588521	 0.6213084778	-4.9493101111	 0.110392
+H	-1.8986889054	-0.416259662	-6.3448983887	 0.101485
+H	-3.0295561384	-1.955484378	-4.8885445217	 0.089477
+H	-0.7784423636	-3.3782152658	-4.495300414	 0.086699
+19
+0 4025	3.2215823	1.5067147	1.2732039	2.8699	73.37	-0.23027	0.07262	0.30289	1025.4279	0.159195	-422.530705	-422.523433	-422.522488	-422.56199	29.702
+O	-0.3384392962	-2.9438560063	-2.4436795286	-0.438744
+C	-0.0550809101	-1.6092957151	-2.047198137	 0.127643
+C	-0.7283514819	-1.2737899265	-0.7016956052	-0.24533
+C	-0.2304821748	 0.0003754415	-0.0349672161	-0.062412
+C	 0.206323274	 1.2647469583	-0.7338634908	 0.088594
+O	 0.6926768559	 1.0313618841	-2.0543882888	-0.300849
+C	 1.6973141797	 0.1007982812	-1.5218604951	 0.092516
+C	 1.4544916466	-1.3142025399	-2.035864403	-0.24944
+C	 1.2345174039	 0.3753958189	-0.0838448135	-0.160969
+H	 0.0404349434	-3.534521854	-1.7830193448	 0.27167
+H	-0.5017887831	-0.9889851304	-2.8266227072	 0.115307
+H	-1.8140233078	-1.2443713114	-0.8461824977	 0.10931
+H	-0.5320836597	-2.1061432713	-0.0082335853	 0.083261
+H	-0.686756803	 0.2117444518	 0.9305019428	 0.089233
+H	-0.1573105783	 2.2594254922	-0.5020585615	 0.103644
+H	 2.7001400242	 0.4754764317	-1.7469546998	 0.08422
+H	 1.8502783326	-1.4464482351	-3.0481272104	 0.11133
+H	 1.984307821	-2.0231631586	-1.3833004898	 0.087776
+H	 1.8736767336	 0.5173467588	 0.7771786516	 0.093238
+19
+0 4026	3.8898399	1.3831389	1.2981846	1.4047	73.51	-0.24165	0.07315	0.3148	1039.8751	0.158837	-422.520065	-422.512955	-422.512011	-422.551313	28.748
+C	 0.2584785699	 0.3938980327	 0.0569885125	-0.406233
+C	 0.8717018827	-0.9591100515	-0.2481846301	 0.124818
+O	 2.0952391999	-0.8344555858	-1.0305963035	-0.320507
+C	 2.8948158226	-1.3709135812	 0.0457514628	 0.124871
+C	 3.387171416	-2.833216364	-0.107514318	 0.049105
+C	 2.1223233552	-3.6185419398	-0.4955448957	-0.242452
+C	 1.7747603949	-3.1830446816	 0.9473062387	 0.045425
+O	 3.2063985449	-3.3012461806	 1.2722697367	-0.301904
+C	 1.6393045635	-1.6455934565	 0.9056447809	-0.071582
+H	-0.6453537613	 0.2740400462	 0.6650450683	 0.115163
+H	 0.962142686	 1.0306010328	 0.6022084133	 0.1219
+H	-0.0171164319	 0.904068056	-0.8708591383	 0.127821
+H	 0.1431833854	-1.5958943525	-0.7676194461	 0.075117
+H	 3.6695746443	-0.6778685391	 0.3822271265	 0.082686
+H	 4.3763877074	-3.0267392108	-0.5203761308	 0.080414
+H	 1.5209517842	-3.2819962903	-1.3399009419	 0.117991
+H	 2.3213729234	-4.6889321435	-0.5422870184	 0.11184
+H	 1.1222129551	-3.7567296195	 1.6048135575	 0.081898
+H	 1.5496072576	-1.1984691709	 1.8950913256	 0.083628
+19
+0 4027	3.6889753	1.35201	1.2521973	1.1419	73.24	-0.24078	0.06908	0.30986	1045.7767	0.159154	-422.521716	-422.51462	-422.513676	-422.552924	29.185
+O	 0.2574689657	 0.394360518	 0.2866769163	-0.439531
+C	-0.6098440063	 0.9921904364	 1.2220312867	 0.144195
+C	-1.596807044	 0.0418996015	 1.976087777	-0.302012
+C	-0.9941763574	 0.4833033131	 3.3407031013	-0.013162
+C	-1.683695174	 1.5847525511	 4.177417141	 0.064177
+C	-1.9548943627	 2.7471355482	 3.1993165004	-0.244774
+C	-0.4104191569	 2.7444096528	 3.2475742418	 0.055985
+O	-0.5139758788	 2.3344119425	 4.6546114183	-0.298848
+C	 0.0163294105	 1.4134487776	 2.5892326224	-0.058721
+H	 0.7216300955	-0.3276313517	 0.7239757281	 0.277049
+H	-1.0904113226	 1.8094032995	 0.6773913776	 0.088296
+H	-2.664151525	 0.2299843706	 1.8282679679	 0.102497
+H	-1.4033411422	-1.0071772836	 1.7335006372	 0.099311
+H	-0.5984383171	-0.3092247739	 3.9764396182	 0.076035
+H	-2.3769864148	 1.2953593366	 4.9669673883	 0.079133
+H	-2.4868944882	 2.5738240557	 2.2621130362	 0.102226
+H	-2.3596399471	 3.6128393938	 3.7231706429	 0.113905
+H	 0.1933772784	 3.6370931238	 3.086577068	 0.08218
+H	 1.0865565969	 1.2196316881	 2.6831684004	 0.07206
+19
+0 4028	2.405548	2.0465453	1.4787041	2.2897	73.18	-0.23366	0.0713	0.30496	952.074	0.157676	-422.537914	-422.530235	-422.529291	-422.569561	31.026
+C	 0.9245363629	 0.1966364269	-3.2929926493	-0.489955
+C	 0.0565927479	 0.4500377742	-2.0915505023	 0.394085
+O	-0.6481994071	-0.7802607539	-1.6459322098	-0.356785
+C	-1.8612128564	-0.02465089	-1.5795223382	 0.096279
+C	-1.6779069946	 1.2246365982	-0.7428858657	-0.088259
+C	-0.4418407541	 1.2791558913	 0.1436586867	-0.273375
+C	 0.7494891823	 0.9613693183	-0.8155025394	 0.131153
+O	 1.668021006	 0.0141703343	-0.3146011929	-0.44554
+C	-1.2849440681	 1.2026130614	-2.2108613914	-0.216814
+H	 1.7555619107	-0.4583684752	-3.0159133686	 0.138526
+H	 0.3528545029	-0.2740450387	-4.0965963219	 0.125631
+H	 1.3415017786	 1.1397806715	-3.662817533	 0.119328
+H	-2.7960090028	-0.5543515783	-1.7211508491	 0.103468
+H	-2.582910771	 1.7519104715	-0.461038291	 0.088928
+H	-0.3332684952	 2.2644515432	 0.6054937297	 0.103541
+H	-0.4680658336	 0.541667164	 0.9519325878	 0.105272
+H	 1.3308030977	 1.8645531762	-1.0319524577	 0.083413
+H	 1.1715350565	-0.8141903894	-0.2584597622	 0.284937
+H	-1.6262930726	 1.8509082845	-3.0057169919	 0.096169
+19
+0 4029	2.4012962	1.998083	1.4548288	1.3356	73.65	-0.23039	0.06506	0.29545	963.0842	0.157155	-422.534514	-422.526718	-422.525774	-422.566131	31.421
+C	 0.3853388742	-0.4387561362	-0.6844151357	-0.407498
+C	 0.9083542804	 0.1508219482	 0.6115366817	 0.091412
+O	 1.3006536063	 1.5149226793	 0.4205842212	-0.280287
+C	 2.3813266797	 1.7639553613	 1.3019475363	 0.109031
+C	 3.6858518333	 1.0200165675	 1.0934564019	-0.097621
+C	 3.41339843	-0.2652762297	 0.3112438961	-0.271084
+C	 2.1681254027	-0.5047010962	 1.2112751042	 0.373439
+O	 2.0234377254	-1.8267928047	 1.6332466051	-0.49299
+C	 2.6904987576	 0.6095473856	 2.1836602119	-0.215
+H	 0.1221608148	-1.4898305309	-0.5311063178	 0.11941
+H	-0.5072121711	 0.0980748976	-1.0171304038	 0.124608
+H	 1.134710848	-0.3790130467	-1.4776552025	 0.12726
+H	 0.1090799883	 0.107714368	 1.3774029837	 0.049321
+H	 2.4169771555	 2.787050136	 1.6563938012	 0.102
+H	 4.6465462733	 1.5101006739	 1.2029582719	 0.084701
+H	 3.2603514569	-0.1913601159	-0.7694376979	 0.09932
+H	 4.1624334541	-1.0306810606	 0.5259423089	 0.115447
+H	 1.2584491618	-1.8776374042	 2.2183601672	 0.280502
+H	 2.7578940389	 0.5810143275	 3.2634283164	 0.088028
+19
+0 4030	2.3826424	2.105017	1.4921607	2.0709	73.58	-0.21448	0.07415	0.28863	954.7593	0.1564	-422.522126	-422.514267	-422.513323	-422.553862	31.255
+C	 0.3198914529	-0.3242450596	-0.7563865887	-0.410531
+C	 0.769578105	 0.1338052629	 0.6199851923	 0.127264
+O	 1.1659030031	 1.5183557412	 0.5512522557	-0.283665
+C	 2.2997376613	 1.6763515704	 1.3646964958	 0.074097
+C	 3.5105224012	 0.8161441788	 1.0461670537	 0.054397
+O	 3.1083066918	-0.2767560874	 0.2248693364	-0.330446
+C	 2.0182509308	-0.5678603117	 1.1754031334	 0.384307
+C	 1.9288719909	-2.030049028	 1.5193178231	-0.495122
+C	 2.5918011813	 0.457981952	 2.1887274342	-0.262412
+H	-0.0846793587	-1.3406320039	-0.7132011244	 0.110256
+H	-0.4647263146	 0.3371603867	-1.1326686013	 0.125897
+H	 1.1648524191	-0.3011870516	-1.4477988007	 0.14218
+H	-0.0543029493	 0.0336243049	 1.3471664953	 0.064983
+H	 2.431601402	 2.6789587616	 1.7538467976	 0.106468
+H	 4.5438698892	 1.1413330002	 1.0013823759	 0.103455
+H	 1.14067191	-2.2042391057	 2.259398577	 0.122974
+H	 1.7006636809	-2.6200645653	 0.6263862495	 0.135334
+H	 2.8780507125	-2.384164132	 1.9288241163	 0.133411
+H	 2.7116982307	 0.3579401465	 3.2591394588	 0.097152
+19
+0 4031	2.4597888	2.0074439	1.4272822	2.3548	73.36	-0.24815	0.06458	0.31273	954.6284	0.158264	-422.550361	-422.542718	-422.541774	-422.581819	31.278
+O	 0.5222174394	 0.5371057433	 0.5730236291	-0.453681
+C	-0.8043383528	 1.0112263789	 0.4231120388	 0.132355
+C	-1.6989356964	-0.1536668299	-0.0480486733	-0.260925
+C	-2.3975169545	-0.6363012104	 1.223737018	-0.029356
+C	-3.2588216442	 0.3406395235	 2.0083574614	-0.069324
+C	-2.8939055594	 1.7874869324	 1.6612660131	-0.301276
+C	-1.391090064	 1.387688818	 1.788234454	 0.367703
+O	-0.50568826	 2.2544694603	 2.4464763014	-0.511747
+C	-1.8327687314	 0.0375721951	 2.4406963061	-0.161514
+H	 0.9527390878	 1.1413979464	 1.1905273138	 0.286458
+H	-0.8359456973	 1.8705289454	-0.2646671019	 0.062826
+H	-2.4061698846	 0.1574825154	-0.8235287766	 0.096719
+H	-1.060594413	-0.933259587	-0.4711311773	 0.118615
+H	-2.6952111833	-1.6762248759	 1.3016965083	 0.084986
+H	-4.1871136311	 0.0203900934	 2.4663732588	 0.083111
+H	-3.2326764858	 2.2094223723	 0.7074602894	 0.093443
+H	-3.1722834071	 2.4715729453	 2.4692234464	 0.093256
+H	-0.8010939836	 2.371782026	 3.3546138145	 0.284555
+H	-1.4313760589	-0.4438752025	 3.322782496	 0.083795
+19
+0 4032	3.3647868	1.5525677	1.352079	1.7995	74.53	-0.24083	0.06249	0.30332	1003.2526	0.15831	-422.483017	-422.475809	-422.474864	-422.514197	29.404
+C	-0.0240731351	-0.1010615652	 0.2634218496	-0.402645
+C	 1.4603998067	-0.0802627596	-0.047956606	 0.022739
+O	 2.2462705264	-0.8098878408	 0.964361752	-0.319677
+C	 2.6218657953	 0.435891475	 1.6137955786	 0.109646
+C	 3.9353901251	 1.2297753085	 1.4244476229	 0.048152
+C	 3.7894283093	 1.0513466017	-0.082063109	-0.266566
+C	 2.2613996296	 1.1792270535	 0.3036090926	 0.219776
+C	 2.1956348129	 2.6177513493	 0.763297279	-0.175063
+O	 3.381438813	 2.5691973315	 1.6338386332	-0.296522
+H	-0.2342337848	 0.3378671694	 1.2429914456	 0.123436
+H	-0.5787158854	 0.4609092009	-0.4958213446	 0.119307
+H	-0.3903307443	-1.1318087849	 0.2650641115	 0.132388
+H	 1.6576926406	-0.4903978104	-1.0448440478	 0.084319
+H	 2.0965208052	 0.5850505975	 2.5605597492	 0.085002
+H	 4.8534105231	 1.153234563	 2.0063106683	 0.078848
+H	 4.2177349562	 1.8318222368	-0.7135326443	 0.099937
+H	 4.0384888265	 0.054657717	-0.4410259869	 0.122525
+H	 2.3436791279	 3.379204857	-0.0097755285	 0.103991
+H	 1.3149784918	 2.8675108197	 1.3623507446	 0.110407
+19
+0 4033	3.2880559	1.6113094	1.3780335	0.7663	74.67	-0.23543	0.0529	0.28833	994.4203	0.157862	-422.476855	-422.469588	-422.468644	-422.508075	29.622
+C	-0.0606345603	-0.155134091	 0.1843582295	-0.399548
+C	 1.4368272914	 0.0451860496	 0.0661196399	 0.026523
+O	 2.1871498189	-0.6610971743	 1.1325740911	-0.32489
+C	 2.4618003693	-1.7885000542	 0.2377943075	 0.088564
+C	 3.765328423	-2.051989325	-0.5645531532	-0.144064
+C	 3.761295499	-0.552816306	-0.9360737747	-0.277754
+C	 2.2176110185	-0.8285132107	-0.9175918488	 0.409043
+O	 1.9851356969	-1.5843961208	-2.0875300988	-0.355182
+C	 3.0343394716	-2.5944044787	-1.8503429471	-0.091634
+H	-0.4163234955	 0.2468538683	 1.1374012326	 0.129027
+H	-0.5746896423	 0.3709820323	-0.6268278878	 0.125558
+H	-0.3284974494	-1.2135994896	 0.1310390763	 0.127326
+H	 1.6999281948	 1.1085929128	 0.0643710658	 0.086589
+H	 1.8147669227	-2.6381353138	 0.4696168769	 0.079045
+H	 4.6399028369	-2.6192574853	-0.240762428	 0.074431
+H	 4.0989277325	 0.1001860425	-0.134918333	 0.122746
+H	 4.1807560328	-0.2678163226	-1.9027525728	 0.096576
+H	 2.5611743016	-3.5724517993	-1.7087846159	 0.110366
+H	 3.7026426878	-2.630497814	-2.7149874194	 0.117277
+19
+0 4034	3.4044235	1.5595056	1.3490331	2.4225	74.57	-0.24747	0.06711	0.31457999999999997	1011.2989	0.157784	-422.494132	-422.48678	-422.485835	-422.525493	29.684
+C	 0.4198732933	 0.3038906218	-0.3989863596	-0.40613
+C	 1.1228186495	-0.3593285443	 0.7690142416	 0.02516
+O	 2.5783940738	-0.4291646265	 0.5632785694	-0.313348
+C	 2.5208782663	-1.8414908887	 0.2560052839	 0.101113
+C	 2.6834594898	-2.9317596413	 1.3285000377	 0.012921
+C	 1.7765482286	-4.054863158	 0.7114401811	-0.218382
+C	 0.4693342616	-3.1994166794	 0.428587529	-0.324259
+C	 1.1078844706	-1.8857057515	 0.8508939305	 0.370116
+O	 1.7103951667	-2.2462330401	 2.1510555916	-0.326058
+H	 0.6086841668	-0.2302058517	-1.3352276379	 0.119184
+H	-0.6612924725	 0.3350370747	-0.2265971593	 0.120776
+H	 0.7809610132	 1.329897607	-0.5137759137	 0.133999
+H	 0.8934426266	 0.1319478725	 1.7194131338	 0.099732
+H	 2.7902733185	-2.0581344358	-0.7810649764	 0.078049
+H	 3.6012250585	-3.2288813163	 1.8389409447	 0.084016
+H	 2.1907680205	-4.5068888559	-0.1946057406	 0.103183
+H	 1.6029101651	-4.8407753954	 1.4479337586	 0.117515
+H	 0.1653452225	-3.2203846778	-0.6204850572	 0.107586
+H	-0.3720259397	-3.5016572834	 1.0545563228	 0.114827
+19
+0 4035	3.2471681	1.5643257	1.3392224	2.8909	74.8	-0.23551	0.06553	0.30104	996.1958	0.158679	-422.493062	-422.485841	-422.484897	-422.524252	29.746
+O	 0.248384246	 1.0649897563	 0.2603347463	-0.43645
+C	-0.6337436041	 0.0320018638	 0.6503078197	-0.000362
+C	-1.0391924379	 0.1038267565	 2.1759819096	-0.324486
+C	-2.2910848345	 0.9682418749	 1.7891070973	-0.008527
+C	-3.7314963204	 0.5270347923	 1.4672960983	 0.072944
+C	-3.1701773818	-0.6563384434	 0.6749377886	-0.279587
+C	-2.0767094884	 0.4295496301	 0.3335161566	 0.308791
+C	-2.8906807589	 1.395970078	-0.4986388155	-0.170575
+O	-4.0504164707	 1.4717671488	 0.3972283235	-0.296171
+H	 1.1054961959	 0.8936295658	 0.664061718	 0.285446
+H	-0.2991469654	-0.9449493979	 0.2726207768	 0.06399
+H	-1.2371972948	-0.8635241376	 2.6413914584	 0.108698
+H	-0.3154495267	 0.6449217531	 2.7899169763	 0.101354
+H	-2.1638862158	 2.0331437746	 1.9862576879	 0.086553
+H	-4.5830276021	 0.4963488472	 2.1476012428	 0.071738
+H	-2.7971591663	-1.482826829	 1.2772595581	 0.102908
+H	-3.7787677629	-1.0266288105	-0.1524499447	 0.101186
+H	-2.4319425606	 2.3830364013	-0.6014790582	 0.115366
+H	-3.2148561705	 1.0337249656	-1.4805977798	 0.097184
+19
+0 4036	3.1786286	1.6137421	1.3607666	2.3316	74.42	-0.23059	0.05899	0.28958	988.8157	0.158003	-422.489314	-422.481745	-422.480801	-422.521466	30.142
+O	 0.8112728599	 0.0523374806	 1.1242373735	-0.432283
+C	-0.5629935884	 0.3276085158	 0.9848872605	 0.033535
+C	-1.3982687046	 0.1385283075	 2.3251941491	-0.313464
+C	-1.2622723513	 1.6830109291	 2.6152482584	-0.049367
+C	-2.2070570587	 2.8639348464	 2.2599631982	-0.115744
+C	-2.4691267112	 2.1672622139	 0.9014110774	-0.28578
+C	-0.9608667042	 1.800438638	 1.1085661923	 0.428937
+O	-0.2847892314	 3.0249502967	 0.8819716245	-0.350196
+C	-1.1001947601	 3.8625470944	 1.7744967874	-0.086127
+H	 1.2264570913	 0.7978879657	 1.5711757617	 0.29265
+H	-0.9095210246	-0.2171028603	 0.101794415	 0.085792
+H	-2.4045201325	-0.2599878991	 2.1883055145	 0.11024
+H	-0.8664823987	-0.4756846355	 3.0532058599	 0.114239
+H	-0.4669421862	 1.8949497044	 3.3341774819	 0.070783
+H	-2.9862301271	 3.2899245753	 2.8952437485	 0.070664
+H	-3.1636577363	 1.3315706441	 0.9516759099	 0.108721
+H	-2.6818796524	 2.7951198641	 0.0335839629	 0.101067
+H	-0.4699358693	 4.2471976085	 2.5836961601	 0.105201
+H	-1.5152356942	 4.6988057205	 1.2040520343	 0.111131
+19
+0 4037	3.2995163	1.549273	1.3213119	2.4736	74.4	-0.24673	0.05854	0.30527	1009.4266	0.158337	-422.506272	-422.498902	-422.497957	-422.537669	30.017
+O	 0.6660542425	-0.093199573	 0.8302896484	-0.427797
+C	-0.6597433766	 0.3796491003	 0.8895692538	 0.025044
+C	-1.3713836299	 0.212670927	 2.2866929496	-0.294136
+C	-1.1304263192	 1.7301453555	 2.606499723	-0.0681
+C	-2.1356901364	 2.8156695238	 2.2130400634	 0.05574
+C	-1.2044851924	 4.0164726382	 1.8415925489	-0.212298
+C	-0.2085396196	 3.2648353745	 0.8702163344	-0.32013
+C	-0.8360884121	 1.8948702445	 1.088335294	 0.402958
+O	-2.2740798155	 2.1875425338	 0.9076278931	-0.334158
+H	 1.1341542724	 0.2028893119	 1.6187361036	 0.281703
+H	-1.1746580484	-0.0319830038	 0.0191473197	 0.103864
+H	-2.4151921158	-0.0937323277	 2.2269479175	 0.122106
+H	-0.8330933842	-0.466292265	 2.9532800609	 0.099003
+H	-0.3880163842	 1.949321968	 3.3772162147	 0.06724
+H	-3.0787758789	 3.036957762	 2.7175951664	 0.075534
+H	-1.7726568046	 4.7942007071	 1.3280355511	 0.111618
+H	-0.7042319565	 4.460826822	 2.7067829555	 0.098477
+H	-0.2798577356	 3.6184603872	-0.1602391524	 0.113512
+H	 0.8334728049	 3.3187558036	 1.1944607444	 0.099817
+19
+0 4038	2.3986756	1.752975	1.4782546	2.5401	73.39	-0.22898	0.05728	0.28625999999999996	991.1442	0.157447	-422.531686	-422.523669	-422.522725	-422.563849	31.341
+C	-2.7858191299	 2.7904100445	-0.1843151235	-0.517627
+C	-2.5699535059	 1.5815730948	 0.6745438287	 0.250687
+C	-2.1253189924	 1.5084682966	 2.1330136644	-0.146152
+C	-0.9345688771	 0.5644245356	 2.3015468419	-0.272183
+C	-0.778343604	-0.0998118792	 0.9036053564	 0.135085
+O	 0.2630297362	 0.4676982892	 0.121948384	-0.440153
+C	-2.1479335786	 0.1448102038	 0.2666528563	 0.011223
+O	-3.1592068494	-0.4411321675	 1.1474729336	-0.30949
+C	-3.41945625	 0.8613923963	 1.6762455755	 0.052774
+H	-3.2228695588	 3.6072438801	 0.3992954856	 0.125496
+H	-1.8469040926	 3.1626063585	-0.6125763913	 0.114912
+H	-3.4650214109	 2.5754722221	-1.0166957234	 0.129393
+H	-2.2171010714	 2.4008056477	 2.7434695882	 0.08648
+H	-0.0164341002	 1.1012639116	 2.5583180353	 0.102674
+H	-1.1135297289	-0.181959891	 3.0804390458	 0.115493
+H	-0.5516915548	-1.1666864138	 0.9724568031	 0.094856
+H	 0.1409687656	 1.4237305249	 0.1186966349	 0.283187
+H	-2.2604452959	-0.180684893	-0.7688640125	 0.082349
+H	-4.4025163209	 1.0562674287	 2.0900424771	 0.100995
+19
+0 4039	2.9839334	1.4361379	1.4087038	0.856	73.77	-0.22209	0.06842	0.29051	1033.8522	0.15752	-422.526824	-422.518994	-422.518049	-422.558648	31.239
+C	-0.1694111498	-0.1709708004	 0.0691028722	-0.413683
+C	 1.3343247978	 0.0815590277	-0.0287505702	 0.040932
+C	 2.0215018192	-0.5790440194	-1.2650941453	-0.247915
+C	 3.3776808279	-1.0437932291	-0.7391771319	-0.126917
+C	 3.3495356082	-2.0045071255	 0.4587173354	-0.003271
+O	 2.0655312953	-1.9593942509	 1.0832150414	-0.30669
+C	 2.1453050519	-0.4930713766	 1.1333147589	 0.003897
+C	 3.6230557385	-0.5454955591	 0.6579538597	 0.308394
+O	 4.6958728934	 0.2231184028	 1.0437873799	-0.455232
+H	-0.6046169995	 0.3374887165	 0.9362813576	 0.108389
+H	-0.6893668724	 0.1912579674	-0.8236466484	 0.112569
+H	-0.3659020878	-1.2426500898	 0.1688940317	 0.134734
+H	 1.5251829938	 1.1637335565	-0.049472331	 0.075898
+H	 1.426185443	-1.4210020842	-1.6332721414	 0.10742
+H	 2.1328802341	 0.1286070252	-2.0915548994	 0.101021
+H	 4.2353023401	-1.1477518868	-1.3952230724	 0.092944
+H	 3.9337167452	-2.9132589502	 0.5421091557	 0.105972
+H	 1.9120211023	-0.1155622082	 2.1323005223	 0.071883
+H	 4.9035702889	 0.0181116442	 1.9626640352	 0.289655
+19
+0 4040	3.0120114	1.4565877	1.4071856	1.0712	74.07	-0.22047	0.06944	0.28991	1027.1043	0.157268	-422.529499	-422.521579	-422.520635	-422.561349	31.457
+C	 0.3036772027	-0.382184447	-0.7530207263	-0.406676
+C	 0.9371794071	 0.0907876194	 0.5434104119	 0.142097
+O	 1.3422284683	 1.4705762551	 0.4014457863	-0.282437
+C	 2.4529183416	 1.6537703183	 1.2503436476	 0.014657
+C	 3.7593969516	 0.9128738858	 0.9311878961	-0.145778
+C	 3.4227233597	-0.2916872957	 0.0553758573	-0.234712
+C	 2.2209477057	-0.6065432671	 1.0102038484	-0.148447
+C	 2.8108919674	 0.43291498	 2.0187784001	 0.340542
+O	 3.0258273214	 0.2875338493	 3.3721594592	-0.46511
+H	-0.0756136794	-1.4025856949	-0.6379084886	 0.113445
+H	-0.5356310389	 0.2659599756	-1.0205918666	 0.12793
+H	 1.0207042638	-0.3677637143	-1.5778895211	 0.124718
+H	 0.1874872463	 0.024539418	 1.3529770631	 0.056564
+H	 2.5260348075	 2.6420029802	 1.6890791749	 0.102118
+H	 4.7185737452	 1.4089772701	 1.0258900581	 0.088308
+H	 3.1843072383	-0.0936354919	-0.9933477587	 0.102421
+H	 4.1936536211	-1.0634146966	 0.1110621617	 0.106149
+H	 2.0987410691	-1.6374855078	 1.3402832512	 0.07687
+H	 2.2262700615	 0.5519629635	 3.8407482255	 0.287339
+19
+0 4041	3.0948592	1.4792982	1.43112	2.2109	74.47	-0.21431	0.07004	0.28435	1029.4552	0.156637	-422.516808	-422.508809	-422.507865	-422.548888	31.086
+C	-0.1469172617	-0.2532210494	-0.051115426	-0.40696
+C	 1.3080921803	 0.1809047984	-0.0294151441	 0.146903
+O	 1.9817567195	-0.3418727685	-1.1946148107	-0.282587
+C	 3.2674447528	-0.7408421618	-0.7915591706	 0.026021
+C	 3.3655437242	-1.7794469273	 0.3193234485	 0.010907
+O	 2.1211230396	-1.8334033643	 1.0178652534	-0.299847
+C	 2.1428782303	-0.3748080777	 1.1222117765	-0.002907
+C	 3.6065496771	-0.314205798	 0.6096679257	 0.216153
+C	 4.7548250111	 0.4980096693	 1.1240426113	-0.518944
+H	-0.6943516506	 0.2030083541	 0.7802446248	 0.109197
+H	-0.6200958953	 0.0600648613	-0.9853748825	 0.126115
+H	-0.209338518	-1.3402103727	 0.0314775745	 0.143252
+H	 1.3820872949	 1.2824227295	-0.033348462	 0.066134
+H	 4.0070529433	-0.7257308472	-1.5843519514	 0.10357
+H	 4.003481145	-2.6566030965	 0.3362961108	 0.102444
+H	 1.8949071917	-0.0227139165	 2.1253716182	 0.082483
+H	 4.934870324	 0.3130844224	 2.1889890247	 0.126187
+H	 5.6754547579	 0.2544804888	 0.5842011595	 0.126307
+H	 4.5732913538	 1.5714514959	 0.9938628094	 0.125574
+19
+0 4042	2.3793513	1.7617866	1.493421	2.3543	73.48	-0.23037	0.06614	0.29651	978.0839	0.157771	-422.540555	-422.532509	-422.531565	-422.572714	31.761
+O	 0.5437289488	 0.7734214895	 0.5790545225	-0.445718
+C	-0.8198775041	 1.131723092	 0.3988015171	 0.142523
+C	-1.6949692758	-0.0772724146	-0.0519661818	-0.267016
+C	-2.3345587725	-0.5563095863	 1.2511171128	-0.133317
+C	-3.2746506789	 0.4056576325	 2.0174660931	-0.149647
+C	-2.9941508779	 1.8417018122	 1.5785275329	-0.242712
+C	-1.4627960429	 1.555857622	 1.7259378928	-0.111413
+C	-1.8245604929	 0.2173150505	 2.4242194972	 0.380675
+O	-1.1622148681	-0.2305145198	 3.5555827483	-0.474986
+H	 0.5980563894	 0.2140901183	 1.3628835734	 0.284951
+H	-0.8142991771	 1.9357185013	-0.3434676456	 0.080359
+H	-2.4398402594	 0.212566701	-0.8011439311	 0.100158
+H	-1.0528018139	-0.8377856483	-0.504575703	 0.105822
+H	-2.5761556275	-1.6063295392	 1.3893168192	 0.076369
+H	-4.1906373287	 0.030291236	 2.4593910279	 0.084203
+H	-3.3412495441	 2.1526581498	 0.5866946736	 0.093049
+H	-3.3395952253	 2.5683078522	 2.3175135658	 0.107432
+H	-0.880895338	 2.2847380016	 2.288745796	 0.082442
+H	-1.341774841	-1.1697270808	 3.6677474488	 0.286826
+19
+0 4043	2.9517133	1.7552721	1.5733907	1.497	72.38	-0.22339	0.08317	0.30656	940.6551	0.159588	-422.555706	-422.548608	-422.547664	-422.58706	28.653
+C	-0.5282058181	 3.9030631985	-0.8772689533	-0.412413
+C	 0.2134340583	 2.6250885874	-1.2756081304	 0.025537
+C	-0.6758628038	 1.3494735937	-1.1473703164	-0.247996
+C	-0.0056610851	 0.2823199416	-0.2943403393	-0.127518
+C	 0.8047981713	 0.7421030001	 0.9028004174	 0.043813
+O	 1.0994569966	 2.1236808803	 0.9237899732	-0.265087
+C	 1.4686267407	 2.4159555531	-0.4202227857	 0.158538
+O	 2.1783199246	 1.2775995812	-0.8951439472	-0.265089
+C	 1.5094510301	 0.1888306368	-0.2989565781	 0.043148
+H	-0.8315783376	 3.8562601649	 0.1731354198	 0.131845
+H	 0.1028886365	 4.7893801593	-1.008334652	 0.110889
+H	-1.4260613021	 4.0397499179	-1.4880943384	 0.114157
+H	 0.5645571967	 2.7211366856	-2.3091650444	 0.081341
+H	-1.6379538495	 1.6138389661	-0.6933714201	 0.105016
+H	-0.9019580723	 0.9420630476	-2.1380549122	 0.107821
+H	-0.5415546684	-0.6552580146	-0.1780790368	 0.088721
+H	 0.7554075424	 0.2995182891	 1.8885532428	 0.108075
+H	 2.1398028699	 3.2789359611	-0.4214369425	 0.090583
+H	 2.0640359597	-0.7381738897	-0.3537587964	 0.108619
+19
+0 4044	2.9257668	1.7934645	1.6285311	1.2299	73.09	-0.21772	0.07818	0.2959	925.9326	0.159343	-422.550606	-422.543519	-422.542575	-422.581818	28.791
+C	-0.2819851574	 2.3862968953	-2.1044071622	-0.402538
+C	 0.5372433522	 1.1084982548	-1.9686414391	 0.156789
+O	 0.4334190694	 0.6153384195	-0.6194199854	-0.293717
+C	-0.1681191564	-0.6423464587	-0.481422624	 0.086773
+C	 0.1961795292	-1.7779298237	-1.4204870858	-0.157477
+C	 0.9031093156	-1.281843855	-2.6719003167	-0.235955
+C	 0.1042738507	 0.0087248235	-2.9479441046	 0.020941
+O	-1.2571554073	-0.3363428121	-2.6573902764	-0.259347
+C	-1.1759868215	-1.1212279981	-1.4881890852	 0.048716
+H	-0.0079649906	 3.0910229754	-1.3151563947	 0.121852
+H	-0.0938231144	 2.8618708192	-3.073451924	 0.106196
+H	-1.3483584652	 2.162353254	-2.0257822162	 0.135542
+H	 1.5999163762	 1.3343002309	-2.1427842491	 0.074401
+H	-0.3251900509	-0.8673839553	 0.5677287164	 0.103875
+H	 0.3547997816	-2.7850520534	-1.0542143486	 0.088567
+H	 1.9664152088	-1.0735432538	-2.5223647211	 0.110375
+H	 0.7964697005	-1.9985037726	-3.4918143051	 0.107183
+H	 0.1499958669	 0.3624436201	-3.979890651	 0.085724
+H	-2.1162299175	-1.5920075399	-1.2286470372	 0.1021
+19
+0 4045	2.8455094	1.779657	1.6166397	2.3345	72.35	-0.23085	0.07964	0.31049	920.0861	0.160783	-422.568916	-422.562117	-422.561173	-422.599771	28.421
+O	 4.1194429755	-0.0175652496	-0.0706707937	-0.446378
+C	 2.9398120661	-0.5648178899	 0.4924491182	 0.152611
+C	 1.903366121	-0.9809402308	-0.5919672391	-0.269149
+C	 0.7105180637	-0.0364096803	-0.6316202289	-0.076346
+C	 0.0536612583	 0.3468077232	 0.6895877927	-0.109275
+C	 0.9062432105	 0.0272255084	 1.9090352187	-0.244822
+C	 2.2978612569	 0.4738059911	 1.4244048617	 0.026483
+O	 2.0553134522	 1.6413032549	 0.6110102403	-0.281905
+C	 0.8551252023	 1.3605921808	-0.0815852987	 0.089795
+H	 3.8878858257	 0.8886158462	-0.3167449006	 0.283076
+H	 3.2592227514	-1.4399730533	 1.0676862168	 0.080625
+H	 2.424330436	-0.9954099529	-1.5539678511	 0.114727
+H	 1.5486842803	-2.0022490574	-0.4091771376	 0.100916
+H	 0.0409108435	-0.1481524761	-1.4792369998	 0.085571
+H	-1.0244070943	 0.4003816575	 0.7760482532	 0.088126
+H	 0.5801933893	 0.6141988667	 2.7730818317	 0.110223
+H	 0.9000895838	-1.0306507251	 2.1915700753	 0.106863
+H	 2.9908437989	 0.7684803505	 2.2146340555	 0.087402
+H	 0.4480094489	 2.2341869161	-0.5746774948	 0.101456
+19
+0 4046	2.6835541	1.6820169	1.4067358	2.8905	74.5	-0.22369	0.06875	0.29244000000000003	995.1203	0.15697	-422.517007	-422.509081	-422.508137	-422.54902	31.329
+C	-2.8573195769	-2.4785805664	 0.3617902436	-0.523696
+C	-3.3890649182	-1.1062182543	 0.098213123	 0.439042
+O	-4.6874579715	-0.9609832752	-0.5978402463	-0.355188
+C	-4.230488685	 0.4094177582	-0.3488691352	 0.032884
+C	-3.7760206646	 0.0420979679	 1.0896335594	-0.073608
+C	-2.5410956397	 0.8580152084	 1.4471970744	-0.287323
+C	-1.7788564551	 0.8146270696	 0.0822727607	 0.089431
+O	-0.5697142705	 0.0653516783	 0.1266071138	-0.437835
+C	-2.7793101811	 0.0470790746	-0.7640358763	-0.072203
+H	-3.5209749186	-3.0329458737	 1.0325598427	 0.12573
+H	-2.7661033465	-3.0362388795	-0.5753507919	 0.133221
+H	-1.8652589124	-2.4047511431	 0.8155553319	 0.139903
+H	-4.8655044752	 1.2275871143	-0.6904909513	 0.086295
+H	-4.5435661996	-0.1633453216	 1.8354618567	 0.074192
+H	-2.7910849978	 1.8776962054	 1.7589792119	 0.098956
+H	-1.9386726055	 0.399229179	 2.2377877251	 0.100518
+H	-1.5873915739	 1.8227899571	-0.3120656599	 0.06693
+H	 0.0615929115	 0.5475185219	 0.6698966989	 0.283657
+H	-2.5600716294	-0.1441503109	-1.8133862013	 0.079093
+19
+0 4047	2.7591811	1.7286214	1.4315891	1.4172	74.75	-0.22734	0.07557	0.30291	986.0238	0.157461	-422.529407	-422.521638	-422.520693	-422.561113	31.001
+C	-0.1101469228	 0.0806139455	-0.108291343	-0.407442
+C	 1.4060211736	 0.0332719613	 0.0181665964	 0.107167
+O	 1.9336956252	 1.3428678566	 0.3477710383	-0.296625
+C	 2.6464327548	 1.1002594643	 1.5385972691	 0.064771
+C	 3.4078773619	-0.2551049985	 1.4660462918	-0.103925
+C	 3.196423014	-0.4626808461	 2.9825351931	-0.318458
+C	 1.8573121173	 0.114470121	 2.4622184336	 0.366068
+O	 0.6697629536	 0.3189007133	 3.1416463665	-0.472853
+C	 1.957731887	-0.7804818626	 1.1889567573	-0.092168
+H	-0.5645418549	 0.3760482496	 0.8401594772	 0.1404
+H	-0.4024694462	 0.7990537104	-0.8796699454	 0.120616
+H	-0.4998740163	-0.9024834629	-0.3942582488	 0.108328
+H	 1.8536928769	-0.2867979775	-0.9331470205	 0.07281
+H	 3.1156887074	 2.0090684386	 1.916512411	 0.079247
+H	 4.2967116059	-0.4707349271	 0.8786826294	 0.083447
+H	 3.1730407754	-1.4972797321	 3.3319421484	 0.101066
+H	 3.7873614323	 0.1693423888	 3.6531316887	 0.087495
+H	 0.7857930335	 1.0548335121	 3.7523528697	 0.285235
+H	 1.7388737513	-1.8465034846	 1.2532035672	 0.074822
+19
+0 4048	2.785513	1.6505468	1.3878345	1.5561	74.5	-0.23055	0.07733	0.30788	1011.4312	0.156191	-422.508548	-422.500554	-422.49961	-422.540626	31.257
+C	 0.2564176403	 0.543817618	 0.2469963247	-0.404993
+C	 0.7280266681	-0.7393339274	-0.4190826788	 0.110763
+O	 2.0333513508	-0.5476103152	-1.035173595	-0.292582
+C	 2.8004679017	-1.5843989033	-0.482742167	 0.05196
+C	 1.9631678244	-2.8805109965	-0.2935059427	 0.018132
+O	 2.7145824808	-3.2231395809	 0.9126464432	-0.349613
+C	 2.4897012477	-1.7726396404	 1.0376536392	 0.405036
+C	 3.0284701352	-1.0731854523	 2.2448594809	-0.532885
+C	 1.0215585973	-1.9244492713	 0.4932001305	-0.134928
+H	 0.9189849941	 0.8368889476	 1.065978674	 0.121835
+H	 0.2336507257	 1.3586844112	-0.4821207672	 0.13105
+H	-0.7543951323	 0.4159883876	 0.6483926185	 0.117099
+H	 0.0191251672	-1.0207263274	-1.2105608394	 0.083258
+H	 3.8187043151	-1.60570985	-0.866398808	 0.097153
+H	 1.7152438612	-3.6782731968	-0.9926614143	 0.091683
+H	 2.5168728518	-1.4027667014	 3.1543791625	 0.132488
+H	 4.0965332325	-1.2864961452	 2.3534579588	 0.137035
+H	 2.9036993536	 0.0091452705	 2.1471996214	 0.135653
+H	 0.2428252347	-2.3334290169	 1.1353080887	 0.081854
+19
+0 4049	2.6779979	1.7464377	1.4552782	2.196	74.33	-0.24894	0.06559	0.31453	969.2439	0.158681	-422.538231	-422.530757	-422.529813	-422.569674	30.622
+O	-0.6901358626	 0.4134517165	 0.849867154	-0.451174
+C	-1.8838908728	 0.9000459871	 0.2529301891	 0.118436
+C	-2.580017822	-0.1192532161	-0.6993333949	-0.28404
+C	-3.8575935755	-0.3886551993	 0.0913864933	-0.040801
+C	-4.4068812913	 0.9732497749	 0.6315539783	-0.083402
+C	-4.9417044946	 0.2478869661	 1.8962645289	-0.305551
+C	-3.5436829895	-0.3439684126	 1.6123656431	 0.37805
+O	-2.8519653225	-1.3630370843	 2.2636473837	-0.485308
+C	-2.9956392786	 1.0890948521	 1.2855470391	-0.09157
+H	-0.9314737663	-0.3803857502	 1.3445823209	 0.280888
+H	-1.5983492179	 1.8248712843	-0.2557582168	 0.077737
+H	-2.7911867961	 0.3003559055	-1.6883099656	 0.097496
+H	-1.9545044771	-1.0058407579	-0.8374365694	 0.107029
+H	-4.5693690684	-1.1329216401	-0.2697170873	 0.066945
+H	-4.9156480047	 1.7394162521	 0.0505557532	 0.082013
+H	-5.0512270341	 0.8560014652	 2.7994276689	 0.088179
+H	-5.7989354139	-0.4166694719	 1.7555180426	 0.095603
+H	-2.7856044894	-1.1377555024	 3.1985106519	 0.287067
+H	-2.8342901025	 1.8002737409	 2.098103207	 0.062405
+19
+0 4050	3.5306143	1.491445	1.4295081	2.1136	75.63	-0.23688	0.07643	0.31331	998.7593	0.157276	-422.479913	-422.472484	-422.47154	-422.511472	29.968
+C	 0.5096137062	 0.6582491233	-0.2191774206	-0.389971
+C	 0.7729821515	-0.7427013119	 0.3110098359	 0.148595
+C	 1.0668332415	-1.8061054454	-0.8198593047	-0.40859
+C	 2.5470006975	-1.9485133892	-0.6416200874	 0.402295
+C	 3.8726746885	-2.737933109	-0.7673854021	-0.322978
+C	 4.1336077454	-1.384143315	-0.0172899031	-0.00354
+O	 3.3068105633	-0.7115671132	-1.0212152897	-0.338733
+C	 2.8448855364	-1.6682250282	 0.8257266661	 0.119714
+O	 1.9273636958	-0.6905726655	 1.2041321279	-0.290109
+H	 0.3876153577	 1.3568081055	 0.6133925048	 0.122644
+H	 1.3510466738	 0.9870679023	-0.8329602224	 0.146093
+H	-0.4065949286	 0.6761108425	-0.8191080836	 0.105795
+H	-0.0812051937	-1.0787399827	 0.9125230069	 0.078841
+H	 0.5523181748	-2.7510001387	-0.6234599614	 0.11442
+H	 0.7737714956	-1.4390672071	-1.8057301021	 0.124736
+H	 3.9665085423	-3.6774600744	-0.2162141147	 0.102865
+H	 4.3051208079	-2.7783583621	-1.7660591171	 0.119281
+H	 5.0861036523	-0.9268899822	 0.2511038844	 0.099552
+H	 2.8995810119	-2.5020482089	 1.536002813	 0.06909
+19
+0 4051	3.8604908	1.4261189	1.3436267	0.5963	75.47	-0.24771	0.07922	0.32693	1026.1145	0.157704	-422.486398	-422.479049	-422.478105	-422.518045	29.662
+C	 0.2699414151	-0.4187022178	-0.6801750557	-0.397784
+C	 0.7084372505	 0.3255135866	 0.5575493413	 0.198176
+O	 1.3834035594	 1.5454337549	 0.1851726436	-0.301266
+C	 2.2880482401	 1.7405566814	 1.2609159825	 0.097823
+C	 3.8552917262	 1.782194271	 1.2385875931	-0.12594
+C	 3.7501443244	 0.8732825616	 2.5417249211	-0.305219
+C	 2.7308300599	 0.3246134637	 1.5023481164	 0.413129
+C	 3.8386733436	 0.4821355139	 0.4080622567	-0.282123
+O	 1.6158279631	-0.4941442332	 1.3677414968	-0.347309
+H	-0.2474232541	-1.3382783884	-0.3953253065	 0.130879
+H	-0.4132341947	 0.2038209008	-1.2644255572	 0.130007
+H	 1.1367592468	-0.6729514518	-1.2945835787	 0.13254
+H	-0.1443150881	 0.5722477417	 1.2076825849	 0.084878
+H	 1.8130497036	 2.2856010483	 2.0852344	 0.070542
+H	 4.5088555073	 2.6436070986	 1.1201015325	 0.088399
+H	 4.6309877449	 0.2659770225	 2.7568800208	 0.107806
+H	 3.3433486432	 1.3426129076	 3.4405779501	 0.10506
+H	 4.7131882629	-0.1652706007	 0.4998911404	 0.090542
+H	 3.4903983957	 0.5665194093	-0.6201959019	 0.10986
+19
+0 4052	3.2892236	1.5343126	1.4794931	3.0549	75.08	-0.24671	0.07235	0.31906	972.0392	0.158642	-422.495448	-422.488404	-422.487459	-422.526421	29.529
+O	-0.3740681714	 1.2199214385	 0.0044724483	-0.438782
+C	-0.7293237651	 0.1020926628	 0.7901267738	 0.143638
+C	-0.7800787337	 0.4544817445	 2.329522769	-0.287959
+C	-2.2631433345	 0.4214838669	 2.7286285757	-0.009491
+C	-3.2608105902	 1.6066005322	 2.6183044944	 0.02706
+C	-4.3466538115	 0.6261162882	 2.0613742592	-0.314191
+C	-2.9919386898	 0.340890161	 1.3745153461	 0.414102
+C	-2.1587053444	-0.4326906535	 0.3997101728	-0.374633
+O	-2.8203580049	 1.8408809025	 1.2328825248	-0.361081
+H	-1.0249987854	 1.9020667813	 0.2247573511	 0.288773
+H	 0.0340959388	-0.6531101921	 0.5835260481	 0.0809
+H	-0.2246069364	-0.2829018221	 2.9161307384	 0.099905
+H	-0.288452668	 1.4185153261	 2.4739134943	 0.116774
+H	-2.5229113442	-0.3417405521	 3.4668754293	 0.07247
+H	-3.4006315293	 2.4818915488	 3.2543285056	 0.097031
+H	-4.7450852433	-0.1397851549	 2.7310197532	 0.102379
+H	-5.1105629423	 1.0967808069	 1.442405973	 0.114334
+H	-2.2558687126	-1.506794668	 0.5938507629	 0.105978
+H	-2.3625260819	-0.2371354671	-0.6548639499	 0.122795
+19
+0 4053	2.636395	1.8668696	1.3373582	2.9503	74.39	-0.22874	0.06853	0.29727	987.9388	0.157066	-422.512154	-422.504304	-422.50336	-422.544037	31.205
+C	 1.1500833466	 0.8828061541	-3.2602676146	-0.514461
+C	 0.3406831614	 0.0560051661	-2.29405477	 0.369219
+C	-1.0775771997	-0.4763879293	-2.6892806474	-0.005737
+O	-0.4902794008	-1.4609310281	-3.6075243971	-0.322965
+C	 0.3431698907	-1.5081725923	-2.393653425	 0.019846
+C	-0.9180250341	-1.4502290329	-1.4884384494	-0.036974
+C	-0.6158756964	-0.6531449502	-0.2284115235	-0.29108
+C	 0.3314883703	 0.4364835509	-0.8177829074	 0.040147
+O	 1.6672114491	 0.3591035494	-0.3370373951	-0.440344
+H	 2.1986613345	 0.9139478875	-2.9510053574	 0.133677
+H	 1.0852959473	 0.4550809925	-4.2639375603	 0.13362
+H	 0.7840306206	 1.9153992816	-3.2980553421	 0.109613
+H	-1.9552544139	 0.0761919125	-3.0298700114	 0.084372
+H	 1.185018731	-2.2004904334	-2.3797121885	 0.092142
+H	-1.5629475924	-2.3271156212	-1.4539306475	 0.079255
+H	-1.5183497287	-0.232165203	 0.2267932432	 0.098832
+H	-0.0931825633	-1.2437047233	 0.530444724	 0.102882
+H	-0.0688917154	 1.4507106227	-0.6692984195	 0.063486
+H	 1.6700602033	 0.6228726865	 0.5881916789	 0.284471
+19
+0 4054	2.7150555	1.8349453	1.3356933	1.5415	73.76	-0.2373	0.0712	0.3085	992.36	0.157454	-422.515874	-422.508244	-422.5073	-422.547521	30.804
+C	 0.7641902412	 0.8779352574	-0.0206393707	-0.406838
+C	 0.7997296046	-0.6320085333	 0.2170231248	-0.03891
+C	 1.276291663	-1.4804298086	-1.0071075778	-0.271322
+C	 2.4831524439	-2.2068544074	-0.4117748922	-0.039136
+C	 2.1761599756	-2.5875211149	 1.0580326594	-0.031443
+O	 3.5728789237	-2.3385621596	 1.4666689777	-0.344712
+C	 3.2459188086	-1.2437220554	 0.530963241	-0.026277
+C	 1.8491592777	-1.0644281705	 1.2300176088	 0.467097
+O	 1.7639630857	-0.5057427429	 2.4865607394	-0.502918
+H	 0.5191935519	 1.4106178448	 0.9024926213	 0.133652
+H	 1.7354677005	 1.2456475661	-0.3715564563	 0.111367
+H	 0.0165790888	 1.1379298825	-0.7767702444	 0.112182
+H	-0.1891391683	-0.9612813069	 0.5564212287	 0.079563
+H	 0.5098762451	-2.1769027935	-1.3598221903	 0.105349
+H	 1.558429224	-0.8472733094	-1.854689846	 0.10439
+H	 3.0642522342	-2.9045441478	-1.0119926609	 0.08254
+H	 1.6756595668	-3.4658295836	 1.4681538493	 0.088663
+H	 4.0290637688	-0.5171967689	 0.3111923412	 0.089776
+H	 2.5005177142	-0.8821103281	 2.9902871869	 0.286976
+19
+0 4055	2.7433814	1.8710276	1.3753119	1.9544	74.39	-0.23646	0.05855	0.29501	978.7602	0.157292	-422.526383	-422.518651	-422.517707	-422.557999	31.057
+C	-0.0949830437	 0.0614436129	-0.1352881531	-0.405971
+C	 1.4143841773	-0.0107999434	 0.0234872668	 0.095347
+O	 1.9809921246	 1.2848852484	 0.2982447502	-0.297086
+C	 2.663099677	 1.0713617116	 1.5172063334	 0.148071
+C	 3.3877052519	-0.3049766161	 1.5181422678	-0.156342
+C	 3.1287617202	-0.4043706385	 3.0395802787	-0.289136
+C	 1.8152426638	 0.1963547084	 2.4847361004	-0.156691
+C	 1.9103607325	-0.7801844876	 1.2491343559	 0.394201
+O	 1.5030854909	-2.1044097832	 1.2695036376	-0.490703
+H	-0.5652355347	 0.4535076471	 0.771530714	 0.116221
+H	-0.3593723978	 0.7173611202	-0.9693757525	 0.122133
+H	-0.4973570065	-0.9364490309	-0.3333641085	 0.128709
+H	 1.8701590649	-0.41361548	-0.8915244861	 0.080736
+H	 3.162578685	 1.9746386467	 1.8619829068	 0.090455
+H	 4.2812182044	-0.5829921842	 0.9580832472	 0.074675
+H	 3.0734288511	-1.4095724353	 3.4698589309	 0.08202
+H	 3.7308254421	 0.2402387969	 3.6859085058	 0.099619
+H	 0.920318971	 0.4921174925	 3.0326241415	 0.075682
+H	 1.8408523061	-2.5272551755	 2.0663897732	 0.28806
+19
+0 4056	2.6892811	1.8593772	1.3444584	1.6594	73.99	-0.23551	0.07342	0.30893	992.9678	0.156377	-422.504693	-422.496852	-422.495907	-422.536501	31.062
+C	 0.4687903994	 0.6375581328	 0.2958718723	-0.403795
+C	 0.8091899757	-0.7001285589	-0.3429948684	 0.068624
+O	 2.1141586334	-0.6312757439	-0.9776034902	-0.289545
+C	 2.8159917901	-1.6790889874	-0.3699736908	 0.094515
+C	 1.9047488526	-2.9161232036	-0.1373090739	-0.029972
+O	 2.6244825181	-3.2476690984	 1.0949756553	-0.320011
+C	 2.4796201014	-1.7896629779	 1.144293276	-0.025305
+C	 1.0017879962	-1.8752569564	 0.6157710153	 0.305659
+C	-0.1178765388	-2.3370503681	 1.5115431208	-0.51606
+H	 1.1728210122	 0.8807173036	 1.0979706257	 0.119449
+H	 0.5172011764	 1.4329783182	-0.4528341744	 0.131105
+H	-0.543239327	 0.6226287349	 0.713139046	 0.118923
+H	 0.0657244171	-0.9429511024	-1.1155528406	 0.081191
+H	 3.8341410063	-1.7779426043	-0.7393104385	 0.101651
+H	 1.6187495477	-3.7311271886	-0.8029504642	 0.089888
+H	 2.8852082874	-1.2631407857	 2.0084358862	 0.090704
+H	-0.4319303549	-1.5474991435	 2.2022345146	 0.121997
+H	-0.995641521	-2.6373482868	 0.9282093511	 0.119027
+H	 0.2164809975	-3.1959622737	 2.0998552875	 0.141957
+19
+0 4057	2.6936982	1.8479656	1.3507696	2.7881	74.32	-0.25284	0.06527	0.31811	980.3538	0.157689	-422.53136	-422.523503	-422.522559	-422.563261	31.351
+O	 0.3351288583	-0.1058466965	 0.150617129	-0.439455
+C	-0.9369819786	 0.1847005341	 0.6997745378	 0.105502
+C	-0.9192454255	 0.7415983081	 2.1501851983	-0.28589
+C	-1.7770885559	-0.3112291958	 2.8484473954	 0.000792
+C	-2.9721265284	-0.6927001171	 1.9179273038	-0.122878
+C	-2.9105015869	-2.1357902011	 2.4774618915	-0.270959
+C	-1.4288123395	-1.7260830776	 2.289518168	-0.137049
+C	-1.8171205962	-1.0482564237	 0.9136266874	 0.407202
+O	-2.0212925802	-1.7709075507	-0.2522284003	-0.48897
+H	 0.6809692316	-0.8876768925	 0.5943789517	 0.278179
+H	-1.4010758906	 0.8766393167	-0.0092832569	 0.090406
+H	 0.106428043	 0.7832834138	 2.5295619792	 0.100701
+H	-1.3464500671	 1.7462445258	 2.226450501	 0.100492
+H	-1.9731423028	-0.2207737203	 3.9173326765	 0.069205
+H	-3.8574611056	-0.0886646695	 1.7093580264	 0.070858
+H	-3.2510444767	-2.2745950112	 3.5072638361	 0.097002
+H	-3.3001568663	-2.9443607209	 1.8485808555	 0.075979
+H	-0.539405147	-2.3196214108	 2.5159364156	 0.065037
+H	-2.5724256257	-2.5367047507	-0.0583239361	 0.283846
+19
+0 4058	3.4743317	1.5477728	1.514719	1.3432	72.89	-0.24408	0.07731	0.32139	961.0961	0.159521	-422.54828	-422.541394	-422.540449	-422.579214	28.303
+C	-0.1098233371	-0.0089208455	 0.0185934155	-0.409394
+C	 1.4132999874	 0.0361537936	-0.0320539275	 0.13191
+O	 1.8959603185	-0.6133270075	-1.2409670672	-0.290448
+C	 2.469141343	-1.8301592478	-0.8439074871	 0.105978
+C	 3.8363444512	-1.8031861623	-0.0637267627	 0.03437
+C	 3.6734119965	-0.5620121335	 0.8317361447	-0.226732
+C	 2.1434761117	-0.7297140091	 1.0824059743	-0.088234
+C	 2.032128454	-2.2144088416	 0.5788558858	 0.049204
+O	 3.3080600943	-2.8502515534	 0.8037222208	-0.299248
+H	-0.4805425585	 0.5402034536	 0.8909126584	 0.114635
+H	-0.5281191254	 0.4510759596	-0.8810408008	 0.128735
+H	-0.4810872847	-1.0367018699	 0.0760741027	 0.119692
+H	 1.7443591048	 1.0803266102	-0.0727173626	 0.083707
+H	 2.3959742359	-2.582736286	-1.6271158603	 0.094176
+H	 4.8062309648	-2.035643073	-0.5022310972	 0.078042
+H	 4.2745688724	-0.6678130567	 1.7367855105	 0.108207
+H	 3.92069239	 0.3798909159	 0.3359882792	 0.105043
+H	 1.7931686621	-0.5176486875	 2.0914441353	 0.074278
+H	 1.1676840291	-2.8194534692	 0.8450316484	 0.086078
+19
+0 4059	3.5485642	1.5640022	1.5220022	1.8003	73.67	-0.22629	0.09214	0.31843	960.4824	0.159374	-422.547577	-422.540698	-422.539754	-422.578478	28.328
+C	 0.14033888	 0.0670649234	-0.5945787689	-0.414516
+C	 1.2012858409	 0.0655061155	 0.4986494721	 0.138031
+O	 1.7046521646	 1.4062133922	 0.721710978	-0.293102
+C	 3.0504003295	 1.4026425782	 0.3222231604	 0.129325
+C	 4.0431600844	 0.530956046	 1.1759479138	 0.049516
+C	 4.756236913	 0.1731204785	-0.1460204958	-0.258338
+C	 3.3119787759	 0.2551877669	-0.6961524755	-0.113071
+C	 2.4893287298	-0.7116138541	 0.1976115754	 0.050766
+O	 3.2564289541	-0.6461163792	 1.4259685398	-0.283946
+H	-0.2957347313	-0.931239443	-0.7095588889	 0.114647
+H	-0.6616328584	 0.7628393226	-0.3329676036	 0.131196
+H	 0.5555662331	 0.377654106	-1.5581298246	 0.117261
+H	 0.7781973518	-0.2968752523	 1.4417791689	 0.091127
+H	 3.384474987	 2.4078244119	 0.0687945028	 0.088604
+H	 4.5418163622	 0.8543840849	 2.0876791839	 0.081675
+H	 5.389274423	 0.9724872625	-0.5381609584	 0.103843
+H	 5.2754141118	-0.7861003294	-0.1700214875	 0.108442
+H	 3.0633288751	 0.3187053729	-1.753476397	 0.078533
+H	 2.3643005235	-1.7463568137	-0.1235756648	 0.080007
+19
+0 4060	3.3447074	1.5388858	1.5048932	1.7807	72.7	-0.23727	0.07096	0.30823	954.0474	0.160247	-422.55635	-422.54956	-422.548616	-422.587182	28.348
+O	 0.1973419608	-0.3797774771	-0.1573194689	-0.446541
+C	-0.7228134213	 0.4178660732	 0.5829655698	 0.134893
+C	-2.076014438	 0.373823689	-0.179589375	-0.263955
+C	-2.8979709566	-0.6365090376	 0.6207555716	-0.022618
+C	-3.3773523593	-0.2279291392	 2.0537261466	 0.067837
+C	-2.2117239636	 0.6251285317	 2.5925221118	-0.2391
+C	-1.0735929529	-0.21465909	 1.9378906864	-0.089485
+C	-1.9553026162	-1.4486395977	 1.5388540599	 0.095159
+O	-2.9977881683	-1.5502605331	 2.5385615087	-0.3017
+H	 1.0038422025	-0.4600491194	 0.3628189888	 0.279389
+H	-0.3387444921	 1.4421907808	 0.6933914364	 0.063938
+H	-2.5504379071	 1.3584521798	-0.2317410182	 0.100514
+H	-1.8943724872	 0.0386226179	-1.2034364356	 0.120034
+H	-3.6390211173	-1.2239582799	 0.0812087757	 0.078953
+H	-4.4029394026	 0.0568778562	 2.2897216826	 0.075508
+H	-2.2222417632	 1.6690983272	 2.2651108326	 0.095834
+H	-2.1943302338	 0.5952486825	 3.6832782811	 0.10976
+H	-0.2147207338	-0.4152463828	 2.5811014888	 0.057416
+H	-1.4768962302	-2.3899041414	 1.2769929769	 0.084165
+19
+0 4061	3.4643132	1.6261266	1.4718605	2.5308	73.34	-0.23844	0.07834	0.31678	946.8562	0.160537	-422.557027	-422.550395	-422.54945	-422.58771	28.026
+O	 0.4555553102	 0.088609493	 0.2526934748	-0.448011
+C	-0.7976880912	 0.3567580729	 0.8389525872	 0.163636
+C	-2.0301258715	 0.0757531142	-0.0861005961	-0.282916
+C	-2.8637118349	 1.3503740841	 0.0359969609	-0.025782
+C	-2.2053004032	 2.6558222176	-0.5203813656	 0.091007
+C	-2.7979581655	 3.4140398551	 0.6862190819	-0.239595
+C	-2.4934930019	 2.0652162862	 1.3853580277	-0.083934
+C	-0.9834720247	 1.8491290876	 1.155351957	 0.057074
+O	-0.8217593945	 2.5089059733	-0.1365067674	-0.309874
+H	 0.5634926204	 0.7624062013	-0.4323383955	 0.283328
+H	-0.8424538854	-0.2487711729	 1.7509122118	 0.080197
+H	-1.6920158252	-0.1177939065	-1.1084835688	 0.105365
+H	-2.5921438174	-0.8030081426	 0.2430946775	 0.101495
+H	-3.9302439381	 1.2742223375	-0.1755733301	 0.073316
+H	-2.2692248067	 2.9879013609	-1.5559193551	 0.078884
+H	-2.2720620428	 4.3147578785	 1.0101953138	 0.102189
+H	-3.8715152121	 3.5944620875	 0.599143255	 0.10239
+H	-2.9057381007	 1.7761460806	 2.3513128545	 0.074443
+H	-0.2799665247	 2.2692100416	 1.8760304565	 0.076788
+19
+0 4062	3.4202296	1.4892265	1.3786032	2.2523	73.89	-0.23415	0.06811	0.30226	1004.0601	0.158275	-422.499668	-422.492392	-422.491448	-422.531086	29.303
+C	 0.3783141883	-2.0457152562	-2.1617857176	-0.392273
+C	-0.6286829557	-0.9686017733	-1.7488814554	 0.128044
+C	-1.0438940707	-1.0759258351	-0.2677276295	-0.280191
+C	-0.1230021982	-0.2425358846	 0.619818771	-0.011453
+C	 1.302253083	 0.1131566248	 0.1017688876	-0.017208
+O	 1.2882450056	 1.3314043927	 0.9264952479	-0.308445
+C	-0.0563263336	 1.2775380556	 0.3243573395	 0.011963
+C	 0.622594677	 0.9408457754	-1.03608816	 0.126867
+O	-0.1053259442	 0.332748948	-2.0573984345	-0.282142
+H	 1.2659831247	-2.0422135794	-1.5212534577	 0.12127
+H	-0.0783495777	-3.0389161379	-2.0973386992	 0.114982
+H	 0.701138218	-1.8777578611	-3.1924818043	 0.12746
+H	-1.5137064199	-1.0645855463	-2.3858354437	 0.086718
+H	-2.0750001981	-0.7289598986	-0.1311168314	 0.108145
+H	-1.024834637	-2.1278370115	 0.0362336827	 0.107691
+H	-0.1650059396	-0.4874152814	 1.683275266	 0.080569
+H	 2.2196071671	-0.4768444655	 0.1013163105	 0.090209
+H	-0.7639420785	 2.0661574652	 0.5827301494	 0.090245
+H	 1.2311580595	 1.7411658691	-1.4585429212	 0.097549
+19
+0 4063	3.571903	1.535279	1.4299398	1.214	74.6	-0.2393	0.10395	0.34325	986.2016	0.158659	-422.51696	-422.509795	-422.508851	-422.548232	29.018
+C	 3.4390859849	 0.7787510899	 3.2347732617	-0.400447
+C	 2.2105115779	 0.0454867585	 2.7011505525	 0.211775
+O	 1.1999444109	 0.9573339912	 2.3023723931	-0.292561
+C	 1.2070228602	 1.2719752038	 0.9340035006	 0.158499
+C	 2.5499228497	 1.1898040943	 0.1367885295	-0.149761
+C	 1.6870637834	 0.9856808076	-1.1327898165	-0.251078
+C	 0.9954596979	 0.0997992367	-0.0707649076	-0.121278
+C	 2.4204180468	-0.3510763423	 0.3703097706	 0.158524
+O	 2.5610845763	-0.863210674	 1.6700838566	-0.292569
+H	 3.14752005	 1.4245894134	 4.0677996438	 0.123265
+H	 4.1748275142	 0.051475717	 3.5894405952	 0.123275
+H	 3.9036183283	 1.3955741954	 2.4620940956	 0.121738
+H	 1.7690984234	-0.5617240878	 3.4992737985	 0.092977
+H	 0.5930553687	 2.1660275054	 0.8035225488	 0.082055
+H	 3.4358388368	 1.8176206229	 0.2359490579	 0.077001
+H	 1.1262726926	 1.8571929621	-1.4794679041	 0.099743
+H	 2.1681737678	 0.4635109821	-1.9634991733	 0.099743
+H	 0.1090562639	-0.5244379683	-0.1813920354	 0.077044
+H	 2.9706381064	-1.0143257581	-0.3010091176	 0.082055
+19
+0 4064	4.091908	1.2776257	1.1232107	2.0085	74.21	-0.23245	0.06646	0.29891	1095.3099	0.158826	-422.509497	-422.50223	-422.501286	-422.54088	29.53
+O	-1.9182629986	-2.3275153968	-0.2392405757	-0.437829
+C	-0.7514901789	-1.5249125885	-0.1531500247	 0.126868
+C	-0.6686697006	-0.6738803954	-1.4198082924	-0.247838
+C	 0.3629354212	 0.43848354	-1.2497866473	-0.010994
+C	 0.1234347672	 1.5330593085	-0.1760933664	 0.045673
+O	 1.5759924163	 1.8028198503	-0.149279842	-0.313302
+C	 1.4460992108	 0.3339232538	-0.1298419486	 0.019901
+C	 0.3172668037	 0.4744181082	 0.9409513659	-0.00591
+C	-0.7281353368	-0.6288441071	 1.0934506597	-0.283849
+H	-1.9537575462	-2.8889154357	 0.5419262441	 0.280205
+H	 0.1466734539	-2.1654854099	-0.1217690963	 0.067584
+H	-0.4204213026	-1.3099052727	-2.2753435504	 0.108045
+H	-1.6576116029	-0.2445454412	-1.6245617296	 0.111488
+H	 0.7521010706	 0.8414824925	-2.1866636739	 0.081906
+H	-0.5513700643	 2.3906966152	-0.2031172075	 0.088026
+H	 2.3691812818	-0.2472337265	-0.1008086197	 0.088376
+H	 0.6670307794	 0.9048817443	 1.8812836128	 0.080767
+H	-0.5216407967	-1.2324418206	 1.98606533	 0.092008
+H	-1.7232816273	-0.1872221385	 1.233244932	 0.108876
+19
+0 4065	2.6859225	1.6793791	1.3862545	2.7988	74.11	-0.24185	0.06879	0.31064	1009.2992	0.156737	-422.506154	-422.498241	-422.497297	-422.538081	31.561
+C	-2.445191126	 1.539626564	-2.2271715689	-0.504763
+C	-2.3529322373	 0.9988796028	-0.8389283204	 0.41257
+O	-2.2602558855	-0.4348113896	-0.682732009	-0.302243
+C	-3.2948054524	 0.2673612658	 0.0350907185	-0.05653
+C	-2.6688258612	 0.8707202694	 1.3144856385	-0.058364
+C	-1.4995080299	 0.0717164551	 1.9522763229	-0.280465
+C	-0.4765960629	 0.8362027328	 1.0385289273	 0.146318
+O	 0.3561923541	 0.0905582136	 0.1964851472	-0.439422
+C	-1.660918452	 1.6387221444	 0.3952935837	-0.14891
+H	-3.130275115	 0.9362264622	-2.8289403204	 0.134143
+H	-2.8023830459	 2.5742512859	-2.2156882458	 0.127623
+H	-1.4613156027	 1.5291503459	-2.7096190381	 0.139356
+H	-4.3073800773	-0.0841251039	-0.1343944675	 0.102938
+H	-3.3639801472	 1.4020788459	 1.9631084033	 0.074938
+H	-1.3645893136	 0.2650449277	 3.0191290362	 0.100107
+H	-1.523893689	-1.0075857428	 1.787393907	 0.106152
+H	 0.1805927274	 1.489886094	 1.6188544755	 0.085767
+H	-0.2281602149	-0.5137657831	-0.2799091136	 0.293085
+H	-1.6063916586	 2.7276172999	 0.3779110837	 0.067697
+19
+0 4066	3.1834417	1.4062903	1.1614844	2.6799	75.28	-0.23999	0.07285	0.31284	1108.7984	0.156421	-422.513111	-422.504881	-422.503937	-422.545506	32.01
+C	 0.294496739	 0.3128432834	 0.1046628487	-0.40948
+C	 1.1509236332	-0.8227087069	-0.4193566841	 0.150998
+O	 2.5349352609	-0.4096078523	-0.5944162884	-0.313738
+C	 3.0041574938	-1.3867562333	 0.3463784422	 0.13115
+C	 3.3747581937	-2.7104378981	-0.3041961265	-0.141335
+C	 3.1284220536	-3.8338289081	 0.6814306955	-0.36057
+C	 1.9607554651	-3.232043123	-0.0495394238	 0.40249
+O	 1.1702567212	-3.9533976721	-0.9267483995	-0.46705
+C	 1.549406908	-1.9148148462	 0.5985206849	-0.194439
+H	 0.6770945043	 0.6830715543	 1.0610824699	 0.117809
+H	 0.2916280725	 1.1438758416	-0.6073591652	 0.126826
+H	-0.7391093094	-0.0223209757	 0.2472152772	 0.112692
+H	 0.7382606855	-1.218448996	-1.3555575683	 0.09117
+H	 3.6696912522	-0.9600181837	 1.1022643959	 0.076598
+H	 4.0052244049	-2.8280983457	-1.1765093909	 0.103315
+H	 3.4210306374	-4.8132011262	 0.3163354689	 0.117823
+H	 3.272685781	-3.6867735918	 1.7500883303	 0.104571
+H	 0.6700105779	-4.6043419755	-0.4222176654	 0.286302
+H	 1.0286912952	-1.9227041347	 1.5588953187	 0.064868
+19
+0 4067	3.2910529	1.3824692	1.1725331	2.9085	75.05	-0.23853	0.06028	0.29881	1119.0982	0.155518	-422.4961	-422.48785	-422.486906	-422.528474	31.836
+C	 0.2673061023	 0.4605670462	 0.1453888546	-0.413921
+C	 0.8650150558	-0.848864553	-0.3286600596	 0.157042
+O	 2.1256336498	-0.6354849148	-1.0385942717	-0.308462
+C	 2.8477878284	-1.4255287384	-0.0876111027	 0.104073
+C	 2.9653732682	-2.9483422428	-0.3940886472	-0.081691
+O	 1.7359834834	-3.3655070229	-0.9970911192	-0.26419
+C	 1.7629897408	-3.2305494288	 0.4265185449	 0.403989
+C	 1.3488580699	-4.3960270001	 1.2635239442	-0.505717
+C	 1.5792570627	-1.7155356735	 0.7412190206	-0.198671
+H	 0.9579317633	 0.9948399022	 0.8054441699	 0.116882
+H	 0.0446491276	 1.1058121945	-0.710038996	 0.128797
+H	-0.6662233989	 0.278016341	 0.6896328118	 0.113082
+H	 0.1642962131	-1.402270931	-0.9616522768	 0.093652
+H	 3.749781416	-0.946541909	 0.3022019595	 0.079819
+H	 3.8462272094	-3.5425477088	-0.6152617157	 0.100879
+H	 1.7745514953	-5.3209902105	 0.8656501297	 0.137027
+H	 1.6826525344	-4.2700009129	 2.2985166911	 0.12569
+H	 0.2575997507	-4.4987113399	 1.2725277279	 0.132772
+H	 1.4847035778	-1.4370019375	 1.7900160448	 0.078947
+19
+0 4068	3.0300606	1.4114482	1.1532945	0.282	75.2	-0.2421	0.07927	0.32137	1100.4115	0.156792	-422.51621	-422.507973	-422.507029	-422.548645	32.386
+O	 0.1035140214	 0.3042209841	 0.0144628208	-0.444631
+C	-0.9213047044	-0.0216794468	 0.9342732468	 0.128415
+C	-1.1880173805	 1.0518138597	 2.0327002433	-0.272858
+C	-2.6052297223	 1.3071278875	 1.4603988836	-0.022472
+C	-3.6742548431	 0.3700921555	 2.0081423194	-0.109848
+C	-4.71559701	 0.1066856807	 0.94248496	-0.360263
+C	-3.4041022972	-0.6263719274	 0.8833866269	 0.405796
+O	-3.3154352101	-2.0038736384	 1.0052377135	-0.465154
+C	-2.3061686848	 0.2570623904	 0.3067970253	-0.132629
+H	 0.9486651598	 0.193017793	 0.4620963993	 0.279761
+H	-0.806962675	-1.04897526	 1.3027944714	 0.076281
+H	-1.14087777	 0.7250812239	 3.075731614	 0.091897
+H	-0.5220548588	 1.9073502087	 1.8934027748	 0.100087
+H	-2.8939046966	 2.3426271272	 1.2686140336	 0.066833
+H	-3.8712597302	 0.1765746875	 3.0565509264	 0.089347
+H	-5.5450688561	-0.5118594982	 1.2706504049	 0.112266
+H	-4.9770429204	 0.8740540741	 0.2165900433	 0.103185
+H	-3.6423721347	-2.4019182205	 0.190635479	 0.285973
+H	-2.2970581771	 0.4820807189	-0.7618665563	 0.068015
+19
+0 4069	2.0893183	1.9587401	1.6041191	2.764	73.65	-0.24226	0.06863	0.31089	966.1465	0.156594	-422.502926	-422.495001	-422.494057	-422.53472	31.7
+C	 1.2122078595	-0.6037842366	-3.1909354414	-0.50884
+C	 0.5133570887	 0.312923959	-2.2139743018	 0.298162
+C	 0.8334701587	 1.8236893414	-2.3715456856	-0.03494
+O	 0.1610832351	 2.5561378139	-1.3321628137	-0.260636
+C	-0.5968618365	 2.1601079778	-2.4896148426	 0.016118
+C	-1.0125733115	 0.6802330493	-2.3182369927	-0.120137
+C	-1.2457153647	 0.1982852215	-0.86203922	-0.27953
+C	 0.2738658317	-0.1696071754	-0.7362508923	 0.095367
+O	 1.0241544558	 0.4180383489	 0.2886954007	-0.441503
+H	 2.2719039418	-0.7140769147	-2.9303683629	 0.12791
+H	 0.7618858294	-1.6019927332	-3.1871120553	 0.120659
+H	 1.1593960538	-0.2194189393	-4.2164931459	 0.116096
+H	 1.7214245746	 2.2851104009	-2.7912322757	 0.104845
+H	-1.1015519144	 2.9593734747	-3.0207864845	 0.107613
+H	-1.6314478483	 0.2763437456	-3.1193922541	 0.074193
+H	-1.57506287	 0.9682270334	-0.1612244684	 0.107092
+H	-1.9155501126	-0.6613130705	-0.7848437693	 0.100577
+H	 0.4301696909	-1.2494702581	-0.6480500005	 0.083009
+H	 0.8472414679	 1.3661527915	 0.2342583558	 0.293945
+19
+0 4070	2.7812005	1.624262	1.3415284	1.9035	73.88	-0.23764	0.05987	0.29751	1021.0062	0.155878	-422.499085	-422.490921	-422.489977	-422.531213	32.276
+C	 0.8486113165	 0.9478978846	 0.0743744667	-0.433595
+C	 0.857684361	-0.5680525121	 0.2408658577	-0.024372
+C	 1.424438885	-1.3687583233	-0.9796162517	-0.249144
+C	 2.6085227168	-1.8941661375	-0.1176252901	-0.146829
+C	 2.3615178479	-3.2107894219	 0.6605288032	 0.015566
+O	 0.9619915094	-3.283431693	 0.9772335502	-0.237767
+C	 1.8027804813	-2.4902203814	 1.8160104681	-0.013213
+C	 2.027605975	-1.1201419994	 1.1239899303	 0.373684
+O	 2.7633773395	-0.2785315394	 1.9550679899	-0.483134
+H	 0.6252510793	 1.4545411471	 1.0190095218	 0.12502
+H	 1.8124466028	 1.3260367404	-0.2925857334	 0.09876
+H	 0.0930817454	 1.2511995422	-0.6575994848	 0.122753
+H	-0.1249397347	-0.9140417918	 0.5715082702	 0.082489
+H	 0.7627053602	-2.1422812507	-1.3707907529	 0.112839
+H	 1.7464755848	-0.7239013824	-1.8021112773	 0.091311
+H	 3.6320975717	-1.7365714328	-0.4580770207	 0.073441
+H	 2.8942597618	-4.1531104162	 0.5978314237	 0.103569
+H	 1.8064732303	-2.697397133	 2.8807921792	 0.10483
+H	 3.032771136	 0.4958500605	 1.4503527098	 0.283791
+19
+0 4071	3.1596402	1.5689647	1.2373598	2.38	74.82	-0.23967	0.06608	0.30574999999999997	1048.5326	0.156527	-422.518596	-422.510417	-422.509473	-422.550786	32.058
+C	 0.3732668252	 0.4334680515	 0.17636303	-0.397754
+C	 1.0877951973	-0.8095186736	-0.3167629097	 0.104605
+O	 2.4570109562	-0.5225171475	-0.7071092597	-0.31092
+C	 3.0099094753	-1.4054270859	 0.2796472416	 0.028505
+C	 3.2062376446	-2.82076652	-0.2394202486	-0.051433
+C	 3.0359773641	-3.7971760818	 0.8865237704	-0.319758
+C	 1.8004941619	-3.221790769	 0.2360209586	-0.134635
+C	 1.5547237881	-1.8182282853	 0.7595991499	 0.338861
+O	 0.9644801587	-1.6316059091	 2.0066363707	-0.476292
+H	 0.8905677602	 0.8694103851	 1.0341102317	 0.12842
+H	 0.3373412526	 1.1750057089	-0.6275280711	 0.119727
+H	-0.6512746789	 0.1935735506	 0.4764387007	 0.120093
+H	 0.5334356621	-1.2672886637	-1.1471857058	 0.073136
+H	 3.7943556464	-0.9333363465	 0.8775008145	 0.077897
+H	 3.6851342195	-3.0786554196	-1.175284405	 0.099818
+H	 3.2438046751	-4.834250798	 0.6455756409	 0.121101
+H	 3.3170885168	-3.5211058263	 1.901551722	 0.103951
+H	 1.0681802095	-3.849576725	-0.2598430996	 0.090219
+H	 1.2084893452	-2.3745288647	 2.5684344185	 0.284458
+19
+0 4072	2.7295235	1.662728	1.3539868	2.8402	74.11	-0.24041	0.05682	0.29723	1022.2803	0.155455	-422.49196	-422.483739	-422.482794	-422.524172	31.918
+C	 0.4037689267	 0.6216581345	 0.0507051747	-0.41899
+C	 0.927194209	-0.7366457188	-0.3718932839	 0.119929
+O	 2.2663384726	-0.6322269954	-0.9472201412	-0.309903
+C	 2.8107694776	-1.5390949264	 0.014445602	 0.04553
+C	 2.7845317443	-3.0489970924	-0.3747929383	-0.006991
+O	 1.5900835381	-3.2824786766	-1.1240006298	-0.221128
+C	 1.4779359374	-3.2139426386	 0.2945676472	-0.039418
+C	 1.4468578465	-1.7159610326	 0.7276563203	 0.220549
+C	 1.2231951845	-1.4644958601	 2.2004318565	-0.5004
+H	 1.0789345871	 1.1142830172	 0.7559917418	 0.118273
+H	 0.3063808466	 1.26669583	-0.8280944196	 0.130218
+H	-0.5844795703	 0.5288367221	 0.5145119275	 0.114276
+H	 0.24708103	-1.2105553062	-1.0870502119	 0.091105
+H	 3.7209530973	-1.1836288623	 0.5063239169	 0.076918
+H	 3.6065905866	-3.7390579093	-0.5305233126	 0.105532
+H	 1.0383571403	-4.0649105819	 0.8047965712	 0.102098
+H	 1.8459236789	-2.1334840327	 2.805437824	 0.120695
+H	 1.470497685	-0.4375750695	 2.4827055558	 0.127836
+H	 0.1789317318	-1.6486890811	 2.4794429894	 0.123871
+19
+0 4073	2.5451445	1.6163702	1.41336	2.5471	74.83	-0.23955	0.07055	0.31010000000000004	1013.7019	0.156801	-422.521922	-422.513689	-422.512744	-422.554216	32.462
+O	 0.5074639692	 0.6666012588	 0.1979755534	-0.43001
+C	-0.012079601	 0.6876354401	 1.5060633071	 0.05837
+C	-1.4451999338	 0.1369690527	 1.7795894951	-0.277471
+C	-1.8568364404	 1.486809269	 2.4237468979	-0.132273
+C	-2.4916066755	 2.4251293946	 1.4142219151	-0.029041
+C	-2.1021803481	 3.8503905728	 1.6697158901	-0.309614
+C	-1.1149591684	 2.9523828796	 0.9755133702	-0.062531
+C	-0.4208229081	 2.086881008	 2.0044565332	 0.396362
+O	 0.474679424	 2.7851781527	 2.8174130614	-0.484346
+H	 0.6907019566	-0.2467248782	-0.043868822	 0.284718
+H	 0.7061249215	 0.2476166615	 2.2197169544	 0.049675
+H	-1.9976697393	-0.1054122388	 0.8679301426	 0.100388
+H	-1.4710657961	-0.7262035077	 2.4488635042	 0.093207
+H	-2.234914946	 1.468700223	 3.4479499746	 0.062516
+H	-3.3228006917	 2.1604235002	 0.7703867325	 0.082903
+H	-2.5804626816	 4.58317198	 1.0279727847	 0.10862
+H	-1.9015141656	 4.1998439002	 2.678338481	 0.117132
+H	-0.7432521653	 3.1471245679	-0.0216368423	 0.096593
+H	 0.8986764295	 2.1615295835	 3.4162759367	 0.274802
+19
+0 4074	4.2936456	1.2416642	1.1105961	2.1854	73.9	-0.24107	0.07931	0.32038	1128.2592	0.157829	-422.529737	-422.52212	-422.521176	-422.561679	29.826
+C	 0.2962505426	 0.616448621	 0.1007460739	-0.401401
+C	 1.1522818778	-0.6236551279	-0.0854909324	 0.137798
+C	 2.2976403035	-0.491812981	-1.1079878384	-0.250383
+C	 3.3631271931	-1.4709453714	-0.6079788222	-0.08806
+C	 3.0713352154	-2.9605900064	-0.8449144719	 0.023152
+O	 3.9151490259	-3.6955923857	 0.0490125383	-0.24517
+C	 2.6837056229	-3.175888263	 0.5598102789	-0.015563
+C	 2.9524242272	-1.695090537	 0.9045373505	 0.082282
+O	 1.8051464526	-0.9197718511	 1.1554697419	-0.272684
+H	-0.4476303036	 0.4570198432	 0.8861846649	 0.127192
+H	 0.9191845914	 1.4703788043	 0.3845383113	 0.122731
+H	-0.2308229143	 0.8601719861	-0.8269800909	 0.115629
+H	 0.5079556193	-1.4716577621	-0.3671120719	 0.07162
+H	 1.9649009936	-0.6988826729	-2.1294927212	 0.103021
+H	 2.6950350539	 0.5285111621	-1.0861141234	 0.106836
+H	 4.3867957722	-1.1651623814	-0.8295638784	 0.084353
+H	 2.7521027302	-3.4622734784	-1.7521181129	 0.101871
+H	 1.9851064299	-3.8700940399	 1.0131173959	 0.106222
+H	 3.6807849463	-1.5168075188	 1.6979774877	 0.090556
+19
+0 4075	4.3935513	1.1968864	1.0923856	1.2714	76.22	-0.23728	0.06416	0.30144	1159.3723	0.157441	-422.463801	-422.456161	-422.455217	-422.495821	30.337
+C	-0.0786943911	 0.2507360252	-0.0003983202	-0.393512
+C	 1.363238662	-0.1762302066	 0.1340324001	 0.192661
+O	 1.4899356464	-1.294537514	 1.1073185418	-0.33518
+C	 1.9101979059	-2.3544248018	 0.2691090895	 0.129577
+C	 3.0150455789	-3.4837883681	 0.2112842959	-0.13664
+C	 2.7039951994	-4.1816156313	-1.084259303	-0.27802
+C	 3.4768233712	-2.8948388542	-1.1638517602	-0.151146
+C	 2.7581854686	-1.6237571807	-0.7036477072	 0.199901
+O	 1.8757667229	-0.5880829051	-1.152685146	-0.315042
+H	-0.4613688391	 0.5759576226	 0.970365161	 0.12844
+H	-0.1570254524	 1.0807528894	-0.708370687	 0.128399
+H	-0.6871143158	-0.5813113487	-0.3630830729	 0.128698
+H	 1.9965173195	 0.6271586039	 0.5355261629	 0.084914
+H	 1.0126924854	-2.7942263975	-0.1845181226	 0.07731
+H	 3.6292337991	-3.8948876748	 1.0001743438	 0.109397
+H	 3.3003328339	-5.0613720154	-1.3079421673	 0.120784
+H	 1.6742414882	-4.2560110474	-1.4254222417	 0.121829
+H	 4.4826830719	-2.8779004914	-1.5654421496	 0.101333
+H	 3.5412455052	-1.1174521839	-0.1182916269	 0.086295
+19
+0 4076	4.0883179	1.1953811	1.0807777	1.3283	73.36	-0.25257	0.06875	0.32132000000000005	1133.8913	0.158293	-422.535535	-422.527973	-422.527029	-422.567349	30.126
+O	 0.2758719635	 0.8871987853	 0.3032522876	-0.43389
+C	-0.9686269412	 0.3328010397	 0.6804171922	 0.143347
+C	-1.8940055959	-0.0457257235	-0.4943971535	-0.257681
+C	-2.9313456164	-1.0092155888	 0.0912514351	-0.060331
+C	-3.9830141033	-0.3576626926	 1.0023058171	 0.027754
+O	-4.6220693047	-1.4062263674	 1.7360986623	-0.250278
+C	-3.3655408464	-0.918539611	 2.2152947939	 0.027754
+C	-2.2624257179	-1.6168196982	 1.4053014991	-0.060332
+C	-0.8773429414	-0.9691956397	 1.502773802	-0.257678
+H	 0.7383493821	 0.2343408992	-0.2340934195	 0.274403
+H	-1.442755967	 1.1149418483	 1.2834261671	 0.095221
+H	-2.3366720119	 0.8303031244	-0.9783675478	 0.105008
+H	-1.2982630966	-0.5670044095	-1.2561582058	 0.089355
+H	-3.3457072976	-1.7070259875	-0.6390937228	 0.080485
+H	-4.5458762539	 0.5572491217	 0.8494602002	 0.101007
+H	-3.3322964304	-0.5450977155	 3.2334672399	 0.101007
+H	-2.2491946829	-2.703026566	 1.5149302461	 0.080484
+H	-0.5497471714	-0.7928224302	 2.5319389612	 0.105007
+H	-0.1312858267	-1.6270059187	 1.0362933057	 0.089356
+19
+0 4077	4.0781589	1.3260366	1.1376676	0.6261	74.48	-0.23322	0.07785	0.31107	1111.6104	0.157525	-422.528766	-422.521024	-422.52008	-422.561172	29.993
+C	 0.2819094788	 0.038580233	-0.3735268263	-0.405945
+C	 0.9947031447	-0.2177938448	 0.9375484186	 0.133372
+O	 2.442323936	-0.1879072454	 0.7891696918	-0.318334
+C	 2.5802946848	 0.8469274782	 1.7842203365	 0.089062
+C	 3.0888878729	 0.3335043713	 3.1154433259	-0.099028
+C	 2.8865322435	 1.24828497	 4.3100169894	-0.323113
+C	 1.8805627459	 0.175461823	 3.9884735196	 0.103846
+O	 0.7140041799	 0.5981584508	 3.3119625397	-0.271324
+C	 1.0489094994	 0.9335093917	 1.9761703884	 0.02743
+H	 0.53813604	-0.7345752738	-1.1042981328	 0.129862
+H	-0.8035727769	 0.0263886791	-0.2258982819	 0.120313
+H	 0.5674192921	 1.009268367	-0.7916386478	 0.118845
+H	 0.6656142497	-1.1618185419	 1.3902259507	 0.084026
+H	 3.1286918079	 1.7111608106	 1.3938375122	 0.081761
+H	 3.9047517654	-0.3793321496	 3.1067549338	 0.104145
+H	 3.5429562111	 1.1058227655	 5.1618475277	 0.116845
+H	 2.5867426541	 2.2768771764	 4.1338238924	 0.118186
+H	 1.7109767904	-0.6663428145	 4.6494277456	 0.102666
+H	 0.5258951402	 1.8492651634	 1.6928524266	 0.087385
+19
+0 4078	3.3852475	1.457358	1.2662094	2.863	73.83	-0.23847	0.06785	0.30632	1052.8175	0.15818	-422.5358	-422.52831	-422.527366	-422.567542	29.499
+C	 0.2121700842	 0.3052739187	-0.3103612321	-0.410017
+C	 0.9952678164	-0.573801239	 0.6418900746	 0.164862
+O	 2.4327858233	-0.4064633623	 0.4817894281	-0.312916
+C	 2.6274818417	-1.8267457484	 0.3588737423	 0.106172
+C	 3.1193725209	-2.5127333456	 1.6247782423	 0.012951
+O	 2.4405998553	-2.0538475963	 2.799936517	-0.240468
+C	 2.0130112297	-3.2880969535	 2.2200645156	 0.047606
+C	 0.7528621675	-3.1480498185	 1.3816458953	-0.276426
+C	 1.0995816102	-2.0883412169	 0.3189167795	-0.101311
+H	 0.4133740765	 1.3618391799	-0.1075433575	 0.128395
+H	 0.4864591224	 0.0977755131	-1.3495732904	 0.116579
+H	-0.8636913233	 0.1341640511	-0.1906389751	 0.113445
+H	 0.7082520442	-0.3799002462	 1.6820638789	 0.086965
+H	 3.243537534	-2.0855599722	-0.509604964	 0.073152
+H	 4.1673358915	-2.7670183966	 1.7622896946	 0.096625
+H	 2.1776533186	-4.1723402334	 2.8323012982	 0.095062
+H	 0.5141038431	-4.1098736628	 0.9135003403	 0.104994
+H	-0.1077898527	-2.8644292055	 1.9976602906	 0.115799
+H	 0.6924817065	-2.3302493657	-0.6643186082	 0.078533
+19
+0 4079	3.0873203	1.6036154	1.3714999	2.4831	74.03	-0.22486	0.06803	0.29289	997.1181	0.15804	-422.52731	-422.519656	-422.518712	-422.559509	30.19
+O	 0.2626811058	-0.3813681612	 0.0960182114	-0.418143
+C	-0.7583979398	 0.5876542682	 0.1502488614	 0.085863
+C	-2.2077600989	 0.0287104293	 0.279792986	-0.282529
+C	-2.4635340592	 0.3268617838	-1.2259563585	-0.066018
+C	-2.2132637844	-0.8470581615	-2.1600988841	-0.064352
+C	-2.084293011	-0.5453862041	-3.6441888041	-0.329642
+C	-0.8604201625	-0.6313906938	-2.7725222535	 0.116794
+O	-0.3247080877	 0.6030723227	-2.352347519	-0.253454
+C	-1.1104850442	 1.0989598745	-1.2917493045	 0.11391
+H	 0.3216968206	-0.7925527421	 0.9644414454	 0.283242
+H	-0.5117636416	 1.3878289969	 0.86214309	 0.062569
+H	-2.2656855004	-1.0241818315	 0.5707165253	 0.093627
+H	-2.8395211524	 0.6161631818	 0.9512274444	 0.098405
+H	-3.3779447813	 0.8782002753	-1.4600450387	 0.070337
+H	-2.5429808623	-1.8344162846	-1.8559633138	 0.087698
+H	-2.2867979105	-1.3561751427	-4.3365653642	 0.109388
+H	-2.3677668085	 0.4408719067	-3.9979252074	 0.114452
+H	-0.1187417869	-1.4124356635	-2.890244573	 0.100392
+H	-1.1550497948	 2.187907366	-1.3664471531	 0.07746
+19
+0 4080	3.7040165	1.2928543	1.0865983	0.9501	73.66	-0.25668	0.07373	0.33041000000000004	1117.7143	0.158375	-422.541866	-422.534257	-422.533313	-422.573999	30.021
+O	-0.004037625	-0.2586929514	 0.2860971315	-0.431939
+C	-0.9865579937	 0.5162367842	 0.9241033042	 0.168768
+C	-1.1850004066	 0.3925665246	 2.4584941675	-0.297468
+C	-1.3152838888	 1.9366829811	 2.5401645806	-0.055817
+C	-2.7186325394	 2.5009102246	 2.4528355215	 0.030382
+O	-2.7136141353	 3.9217215182	 2.277738992	-0.258225
+C	-2.9488306803	 3.1014342216	 1.1257430823	 0.048413
+C	-1.7127341802	 2.954671406	 0.2469774397	-0.268983
+C	-0.7708732886	 2.0574228466	 1.0728621982	-0.047441
+H	 0.8339338963	-0.1103733254	 0.7372873885	 0.276877
+H	-1.9141446315	 0.305059376	 0.3817519596	 0.089018
+H	-2.0224510446	-0.2160523018	 2.8114099125	 0.100967
+H	-0.2725642969	 0.0408785101	 2.9511755915	 0.09563
+H	-0.7532727887	 2.4260306535	 3.338762037	 0.083995
+H	-3.5212853193	 2.1086667327	 3.075305356	 0.092012
+H	-3.939313635	 3.1988858454	 0.6868636579	 0.093329
+H	-1.95869793	 2.4945241936	-0.7167043036	 0.104735
+H	-1.2863692105	 3.9418742593	 0.0413018818	 0.113586
+H	 0.2856294582	 2.3261441013	 0.9911337416	 0.062161
+19
+0 4081	2.7886198	1.909316	1.537036	1.5917	73.2	-0.23545	0.08042	0.31587	933.7423	0.159102	-422.553459	-422.54624	-422.545296	-422.584857	28.823
+C	 0.3895512884	 0.8333682651	-0.0208689065	-0.402976
+C	 1.0136850257	-0.5421088193	 0.1042781039	 0.130689
+O	 1.6661475565	-0.8910528133	-1.1339628546	-0.276302
+C	 2.6830686646	-1.8143840845	-0.8383041865	 0.085778
+C	 3.9648914876	-1.2747234447	-0.2359408859	-0.112008
+C	 3.9923228714	 0.2081059883	 0.1014036017	-0.097867
+O	 3.0241493658	 0.4129783423	 1.135113752	-0.262526
+C	 2.1273368086	-0.6932036932	 1.1624211524	 0.048077
+C	 2.908016952	-1.9089384395	 0.6403742089	-0.131097
+H	-0.1904309509	 1.0660707018	 0.8778837627	 0.114066
+H	 1.1625626714	 1.5950014626	-0.1389240428	 0.136033
+H	-0.2829896676	 0.86774665	-0.8820559373	 0.123342
+H	 0.2367055247	-1.2960810165	 0.3153938196	 0.066154
+H	 2.7115773851	-2.6721748644	-1.501792432	 0.096405
+H	 4.8960333114	-1.787524902	-0.4478185917	 0.092918
+H	 4.9710444597	 0.5154012888	 0.4853797549	 0.104609
+H	 3.7467020275	 0.8253160974	-0.7726104819	 0.108141
+H	 1.7393230026	-0.7917062187	 2.1787551321	 0.083174
+H	 3.0316670057	-2.81995275	 1.209949461	 0.09339
+19
+0 4082	3.1363696	1.6983937	1.4457608	2.5296	73.12	-0.21998	0.08165	0.30163	966.3906	0.158977	-422.5451	-422.537878	-422.536934	-422.576607	28.806
+C	 0.1490682607	-0.3383256334	-0.0784058591	-0.404816
+C	 1.4974867996	 0.3339506006	 0.1631366291	 0.138175
+O	 2.1943431059	-0.3158804027	 1.2419409045	-0.264915
+C	 3.1256213427	-1.2112864323	 0.7018949718	 0.06112
+C	 4.3704021999	-0.6367442051	 0.0451949063	 0.064792
+O	 4.512052408	 0.7576440738	 0.0190506128	-0.253656
+C	 3.5991722274	 1.2758645746	-0.9514141677	-0.085121
+C	 2.4575884122	 0.2495944645	-1.0452479317	-0.083273
+C	 3.2010977255	-1.0807398587	-0.7974622591	-0.181122
+H	-0.4281124351	-0.3634043164	 0.8497788023	 0.126804
+H	-0.4299882246	 0.2065823594	-0.8319346659	 0.110137
+H	 0.2844235111	-1.368125466	-0.4251289254	 0.120795
+H	 1.3431282551	 1.3727481524	 0.4762966932	 0.08404
+H	 3.1764314265	-2.165970439	 1.2155284161	 0.096478
+H	 5.3081755512	-1.1812886911	 0.0873687457	 0.097075
+H	 3.2728401714	 2.2642869423	-0.6137782847	 0.108932
+H	 4.102855863	 1.3852181269	-1.9240165013	 0.091123
+H	 1.9325120939	 0.291698724	-2.00131634	 0.080602
+H	 3.2031593855	-1.8956357539	-1.5092381071	 0.09283
+19
+0 4083	2.7997988	1.8120302	1.4599319	2.7863	73.13	-0.23695	0.06772	0.30467	950.8719	0.159736	-422.559755	-422.552474	-422.55153	-422.591379	29.093
+O	 0.9256745757	 0.4931655246	 0.4560926687	-0.431243
+C	 0.0452579891	 0.8853000863	 1.4835594871	 0.150555
+C	-1.3219809434	 0.1501173271	 1.5225827624	-0.291621
+C	-2.271566017	 1.1773141975	 2.1327798599	-0.051446
+C	-2.712693177	 2.3630021303	 1.2940751186	-0.070201
+C	-2.1622662991	 2.5101557765	-0.1126444502	-0.093317
+O	-0.7508777084	 2.6703497063	 0.0104081736	-0.260846
+C	-0.3327684471	 2.3731013609	 1.3421950037	 0.061927
+C	-1.5613114555	 2.5169688118	 2.2452052402	-0.09967
+H	 1.1869739537	-0.4184049783	 0.6170972426	 0.283044
+H	 0.5197092613	 0.7753726957	 2.4740466204	 0.060027
+H	-1.6068450574	-0.1475320919	 0.5071108208	 0.111446
+H	-1.2784853977	-0.7600982909	 2.127932585	 0.091067
+H	-2.9519897005	 0.8604468199	 2.9151329153	 0.083023
+H	-3.6755725969	 2.8065796296	 1.5200655319	 0.089967
+H	-2.3871463709	 1.6415211803	-0.7489632101	 0.097964
+H	-2.5753390173	 3.4001395145	-0.6040968519	 0.100225
+H	 0.5012041646	 3.0365332155	 1.5827414538	 0.081845
+H	-1.5740342661	 3.1537197244	 3.1196954182	 0.087255
+19
+0 4084	3.0469278	1.6794787	1.4433739	1.8036	72.9	-0.23089	0.07697	0.30786	957.2408	0.159849	-422.559731	-422.552618	-422.551674	-422.590979	28.909
+O	 0.2022082578	 0.1601630511	-0.1549325199	-0.444004
+C	-0.8458585909	 0.478991253	 0.75314252	 0.146137
+C	-2.1677292309	 0.1956734738	 0.0137377502	-0.239388
+C	-2.5322802394	 1.5164982221	-0.6608483892	-0.076593
+C	-3.0265392227	 2.6300890215	 0.240366368	 0.089508
+O	-3.1640668236	 2.3409437141	 1.6118421281	-0.259583
+C	-1.8554760706	 2.345844028	 2.1919987686	-0.087943
+C	-0.882328677	 1.9967809631	 1.0511828332	-0.104571
+C	-1.5895264389	 2.6066743306	-0.1752704812	-0.104805
+H	 1.0365714371	 0.4201163519	 0.2486934981	 0.277044
+H	-0.7479794835	-0.1148656737	 1.674801644	 0.058062
+H	-2.0114595029	-0.603482713	-0.713616713	 0.111956
+H	-2.9447658195	-0.121667313	 0.7154858695	 0.111065
+H	-2.8787011068	 1.5132275653	-1.688439637	 0.083137
+H	-3.7426649497	 3.3579071573	-0.1261372956	 0.093183
+H	-1.6287003248	 3.341447917	 2.6018282847	 0.092962
+H	-1.8499804396	 1.6230842709	 3.0145109864	 0.105038
+H	 0.1181344926	 2.3982114178	 1.2361372149	 0.062245
+H	-1.1209052369	 3.3429106023	-0.8145489497	 0.086552
+19
+0 4085	3.9315535	1.4020035	1.324901	1.5754	73.94	-0.21987	0.08799	0.30786	1025.5584	0.159079	-422.54064	-422.533572	-422.532628	-422.571766	28.623
+C	 0.3638042364	 0.5761016133	 0.1827418342	-0.403897
+C	 0.877655475	-0.6800877526	-0.5030664735	 0.124598
+O	 2.3017025606	-0.5736797922	-0.7738579791	-0.297954
+C	 2.8183311784	-1.738865086	-0.1548017084	 0.094612
+C	 2.1212831509	-1.8693317594	 1.2398572941	-0.099965
+C	 2.389657947	-3.3159906701	 1.6325451127	-0.102607
+O	 2.1751140708	-3.9850587269	 0.3691595793	-0.284499
+C	 1.8382303383	-2.9030353325	-0.4822133007	 0.098615
+C	 0.8582315402	-1.9747246594	 0.308057031	-0.101836
+H	 0.8316533571	 0.7193447426	 1.1607089674	 0.118846
+H	 0.5845472978	 1.4536585463	-0.4319764603	 0.128956
+H	-0.7213166402	 0.5198852779	 0.3204955331	 0.113831
+H	 0.3528110087	-0.8096833065	-1.4603361938	 0.077968
+H	 3.8964650979	-1.8114545776	-0.2931850956	 0.085877
+H	 2.2230670854	-1.0979890834	 2.0020206788	 0.076975
+H	 3.4157025777	-3.4899422677	 1.9794267259	 0.10476
+H	 1.69362655	-3.7055701457	 2.3856429	 0.10426
+H	 1.6437069327	-3.2502523489	-1.4961390543	 0.087064
+H	-0.0996318548	-2.3439298013	 0.675112289	 0.074398
+19
+0 4086	3.6848582	1.4322864	1.3241438	2.8174	74.04	-0.23028	0.07526	0.30554000000000003	1012.9307	0.159854	-422.552759	-422.545742	-422.544798	-422.58388	28.648
+O	 0.3953520876	 0.63365039	 0.1015199534	-0.443138
+C	 0.0404280018	 0.8245521015	 1.4641967975	 0.106418
+C	-1.2656497452	 0.0783926605	 1.8917067085	-0.27957
+C	-2.1613918478	 1.281755874	 2.1756209174	-0.037815
+C	-1.2519663296	 2.2807713257	 2.975628257	-0.087949
+C	-2.0196222839	 3.5952260796	 2.8690965925	-0.097374
+O	-2.418592912	 3.554526266	 1.4844218438	-0.284543
+C	-1.8548808508	 2.3183676971	 1.0536986605	 0.128371
+C	-0.4154477236	 2.2643719546	 1.6495894579	-0.036298
+H	 0.6719166751	-0.2812174648	-0.0100490647	 0.28193
+H	 0.8895393542	 0.5749812966	 2.1163033277	 0.063503
+H	-1.636667538	-0.5450292626	 1.0719375965	 0.098729
+H	-1.125522803	-0.5577118162	 2.7716021607	 0.095318
+H	-3.193505757	 1.1056812432	 2.4831265219	 0.065027
+H	-0.8141532615	 2.0157284472	 3.9394386891	 0.066976
+H	-2.9043346524	 3.6350074717	 3.5165549039	 0.099168
+H	-1.4027315932	 4.4822361296	 3.0587888226	 0.099861
+H	-2.0683738665	 2.1497788275	 0.0001933021	 0.090821
+H	 0.3033420759	 3.0531197186	 1.4259271118	 0.070564
+19
+0 4087	4.3956922	1.2199238	1.0708672	0.2665	74.85	-0.23933	0.06043	0.29975999999999997	1155.6648	0.157528	-422.502818	-422.495117	-422.494173	-422.535038	29.52
+C	 0.3458955419	-0.4815249962	 0.4309529808	-0.403091
+C	 0.8387320381	 0.6713945372	-0.4211996557	 0.140046
+O	 2.1520474233	 1.1336202951	 0.0039780217	-0.311454
+C	 2.7419786756	 0.8072109908	-1.2640919499	 0.113678
+C	 2.7383910999	 2.0089794024	-2.2310693647	-0.113954
+C	 3.2632440274	 1.670888442	-3.6359617257	-0.092477
+O	 1.9706865831	 1.181505572	-4.0638828682	-0.293562
+C	 1.3663879626	 1.5172171888	-2.8013229222	 0.106038
+C	 1.3664378169	 0.32372838	-1.8289311905	-0.124098
+H	 0.2529620011	-0.1665522275	 1.4749450926	 0.127775
+H	-0.6364672319	-0.8206381243	 0.0839421463	 0.11671
+H	 1.0421684976	-1.3246462182	 0.3869465382	 0.12183
+H	 0.1127482869	 1.4969153349	-0.3985995394	 0.076001
+H	 3.6566536466	 0.2149828891	-1.1656103495	 0.0779
+H	 2.9444924604	 2.9906976994	-1.8081415821	 0.08857
+H	 3.5759635098	 2.5392248702	-4.2287371646	 0.106499
+H	 4.0430153786	 0.9002782762	-3.6972724652	 0.101398
+H	 0.4538482125	 2.1102517371	-2.9148685905	 0.077836
+H	 1.1480119196	-0.6620461591	-2.2382167812	 0.084354
+19
+0 4088	4.4526476	1.2120115	1.0725302	2.4874	74.66	-0.23296	0.06595	0.29891	1155.2842	0.157579	-422.502718	-422.495034	-422.49409	-422.534888	29.5
+C	 0.3259696027	-0.4716375109	-0.1321926753	-0.405662
+C	 1.0017611805	 0.8677857803	 0.0879685914	 0.144951
+O	 2.4483878682	 0.7297158424	 0.1753429691	-0.309744
+C	 2.4664580395	 1.1920213257	 1.5351695734	 0.090523
+C	 2.7240630496	 2.7062448026	 1.6237283412	 0.089184
+O	 2.7905465384	 3.1495691213	 2.9915142028	-0.290218
+C	 1.3909728636	 3.5162821666	 2.994276284	-0.089932
+C	 1.1825308153	 2.9766849668	 1.5698614413	-0.100358
+C	 0.9242427539	 1.4558038747	 1.5128519796	-0.100024
+H	 0.5607426124	-1.165729097	 0.6808415517	 0.122155
+H	-0.7616171278	-0.3481780074	-0.1834287157	 0.114657
+H	 0.6672059425	-0.9164721093	-1.0719728952	 0.12893
+H	 0.7275310627	 1.5695482258	-0.7120041889	 0.07582
+H	 3.0138078925	 0.5381231184	 2.2185676836	 0.085272
+H	 3.4913900112	 3.142877459	 0.9796991888	 0.085084
+H	 0.8304716274	 3.0215082885	 3.7975729584	 0.10135
+H	 1.2673950466	 4.6026532561	 3.0892646524	 0.103885
+H	 0.6725928937	 3.6150461983	 0.848132655	 0.078896
+H	 0.1920026174	 1.023695508	 2.1963687224	 0.075231
+19
+0 4089	4.1456215	1.2110604	1.0462018	2.8821	74.78	-0.23909	0.06855	0.30764	1155.4787	0.157762	-422.504314	-422.496588	-422.495643	-422.53666	29.924
+O	 0.4068661885	 0.1348361408	 0.6375561088	-0.434671
+C	-0.8158891921	 0.7356445839	 0.2672136174	 0.12382
+C	-2.0752026994	-0.1809971728	 0.3485507532	-0.281598
+C	-2.290483138	-0.0407541504	-1.1781481924	-0.02968
+C	-3.0962831722	 1.2113202037	-1.5968307902	-0.088752
+C	-3.1955057943	 1.3996437252	-3.1186829138	-0.087861
+O	-1.9084895422	 2.0559417322	-3.1793888814	-0.295689
+C	-1.7618178278	 2.0149244118	-1.7475018411	 0.117625
+C	-0.9525553792	 0.8013713666	-1.2723339292	-0.062049
+H	 0.4101622182	 0.0290579377	 1.5948610106	 0.281413
+H	-0.936519246	 1.7120725553	 0.762123756	 0.059871
+H	-1.7805918431	-1.1959968811	 0.6283223885	 0.106313
+H	-2.8956800684	 0.1449730704	 0.9957062872	 0.090496
+H	-2.4847192324	-0.9557702112	-1.7405863493	 0.069494
+H	-3.9514774896	 1.5061344898	-0.9874780178	 0.072133
+H	-3.2285035366	 0.4853539461	-3.7251928606	 0.100082
+H	-3.9992814402	 2.0726334985	-3.4448734666	 0.099126
+H	-1.541436379	 2.9996839404	-1.3217453426	 0.073068
+H	-0.0666691563	 0.522164353	-1.8416963969	 0.086861
+19
+0 4090	4.219572	1.1856358	1.0351587	0.4314	74.46	-0.24124	0.06509	0.30633	1162.6349	0.157787	-422.504676	-422.496926	-422.495982	-422.537182	29.951
+O	 0.5521485792	-0.0933001937	 0.5929324737	-0.432863
+C	-0.7294350569	 0.4269006992	 0.8600501989	 0.149583
+C	-1.2722668133	 0.236764108	 2.3082870288	-0.283265
+C	-1.4348236421	 1.7684708388	 2.4702724293	-0.05723
+C	-2.7806050637	 2.3238368287	 1.9708196539	 0.119843
+O	-2.8874940393	 3.7447640335	 2.1752571008	-0.291695
+C	-2.409687226	 4.0248993283	 0.8396701722	-0.091668
+C	-2.1931481906	 2.5328841391	 0.5359766219	-0.08667
+C	-0.8391090594	 1.9740047641	 1.0156939356	-0.085442
+H	 1.1574448426	 0.2384369574	 1.2650732263	 0.277422
+H	-1.3712084491	 0.0186053385	 0.0730095678	 0.086334
+H	-2.176877011	-0.3687305931	 2.4224527664	 0.101105
+H	-0.5022518641	-0.1806014996	 2.9645992785	 0.100757
+H	-1.0464623552	 2.2357956198	 3.3756537662	 0.077653
+H	-3.7030252301	 1.7931542021	 2.2280768486	 0.073358
+H	-3.1883413212	 4.5046559557	 0.2328562394	 0.101559
+H	-1.515175281	 4.6609047432	 0.8384098486	 0.099926
+H	-2.616223144	 2.1372069089	-0.3883585373	 0.076297
+H	 0.0658091449	 2.5384171211	 0.7765149702	 0.064996
+19
+0 4091	2.8221921	1.4195759	1.0663238	1.8412	76.2	-0.24353	0.00293	0.24645999999999998	1155.7602	0.157162	-422.554932	-422.54657	-422.545626	-422.587869	31.761
+C	 0.2273425969	-0.4052397432	-0.3568850478	-0.405083
+C	 0.8732884627	 0.721476038	 0.4241531555	 0.151117
+O	 2.2095390278	 1.01786349	-0.0556202589	-0.319029
+C	 2.7658048575	 0.8547204456	 1.2778932259	 0.096627
+C	 3.0493683827	 2.1535172611	 1.9806089472	-0.083764
+C	 2.1120260157	 2.4493391038	 2.8805775857	-0.066008
+C	 1.0344522676	 1.394183255	 2.9824092688	 0.05977
+O	 1.0968438331	 0.8119902769	 4.283263411	-0.4383
+C	 1.3974090991	 0.4139634767	 1.848701357	-0.137292
+H	-0.7697929252	-0.6263276613	 0.0406282508	 0.111193
+H	 0.1208602251	-0.1266417275	-1.409930664	 0.128005
+H	 0.83540265	-1.3135286488	-0.3029429691	 0.120182
+H	 0.2409939046	 1.6213454498	 0.3848447684	 0.070284
+H	 3.6114058174	 0.1590809698	 1.2607890168	 0.080965
+H	 3.9108995007	 2.7678541626	 1.7437322434	 0.104026
+H	 2.092532727	 3.3317194447	 3.510500881	 0.104552
+H	 0.0358552358	 1.8331930514	 2.8213667805	 0.068622
+H	 0.3182418529	 0.2571224186	 4.3956812704	 0.280756
+H	 1.2939534088	-0.627847323	 2.1561649673	 0.073379
+19
+0 4092	2.6576681	1.4379306	1.0704984	1.9945	76.45	-0.24192	0.01407	0.25599	1144.338	0.157564	-422.559814	-422.551505	-422.550561	-422.592561	32.122
+O	-0.7711114207	 2.79456411	 3.5068327873	-0.436528
+C	-1.6024546805	 2.1554537916	 2.5622008159	 0.12578
+C	-2.7042884278	 3.0076047538	 1.8697666199	-0.282171
+C	-2.1637320525	 2.5284026599	 0.4869386946	-0.065875
+C	-2.7979795909	 1.2933760007	-0.0901384733	-0.073277
+C	-2.0382113895	 0.2051255811	 0.0420455155	-0.071996
+C	-0.7206090793	 0.4931920749	 0.7239331634	 0.072561
+O	 0.3266170917	 0.3124710368	-0.2283757251	-0.444257
+C	-0.8983783975	 1.9480220071	 1.1980173407	-0.057422
+H	-1.2772227599	 2.9226601243	 4.3157243491	 0.281487
+H	-1.998420634	 1.2106149879	 2.9628067081	 0.064175
+H	-3.7473426579	 2.7842366807	 2.1096550665	 0.0922
+H	-2.5144371049	 4.0723239656	 2.030554983	 0.104308
+H	-2.0383459763	 3.3190739932	-0.2582227258	 0.080041
+H	-3.7745610297	 1.3115540187	-0.5644911274	 0.093294
+H	-2.2866626498	-0.7879018576	-0.3148737921	 0.096608
+H	-0.5574522034	-0.1775360761	 1.584427197	 0.065544
+H	 1.1632095139	 0.3931878563	 0.2415280842	 0.279385
+H	 0.0150488591	 2.5404786009	 1.1246535185	 0.076142
+19
+0 4093	2.4310054	1.8451614	1.5104151	1.4438	74.5	-0.2436	0.00292	0.24652000000000002	968.1287	0.158658	-422.568414	-422.560862	-422.559918	-422.599807	30.81
+C	 0.460874681	 0.4451679392	 0.2539182333	-0.409636
+C	 0.7975566645	-0.7933637464	-0.5603340857	 0.138947
+O	 2.1902315902	-0.7820743951	-0.9598741738	-0.319818
+C	 2.7653515297	-2.0436384701	-0.4858440959	 0.010048
+C	 2.7624137489	-2.0638574689	 1.0220569466	-0.080738
+C	 1.477426131	-2.1590427357	 1.3944346172	-0.084622
+C	 0.640794485	-2.1803360751	 0.1397482864	-0.146137
+C	 1.6010647334	-3.004936769	-0.7959617767	 0.169179
+O	 1.251264773	-3.0865577349	-2.148425694	-0.453111
+H	 1.0444715465	 0.4842899521	 1.1764315112	 0.123902
+H	 0.6815637565	 1.3450377607	-0.3275542391	 0.124607
+H	-0.6049652425	 0.4572611272	 0.5074650239	 0.110356
+H	 0.1837643746	-0.8036789407	-1.4719679796	 0.072665
+H	 3.7096195854	-2.1905414758	-1.0077576579	 0.078563
+H	 3.6348174674	-1.9611152933	 1.6538814567	 0.103971
+H	 1.085570695	-2.1572732642	 2.4038256916	 0.103486
+H	-0.3891089937	-2.5256108866	 0.2217317729	 0.072019
+H	 1.7537331213	-4.0188140128	-0.423134019	 0.092248
+H	 1.4710302526	-2.2338177406	-2.5450102682	 0.294071
+19
+0 4094	2.3736962	1.8089724	1.4961761	1.8536	74.48	-0.23238	0.02403	0.25641	968.491	0.158828	-422.575969	-422.568168	-422.567223	-422.60762	31.448
+O	-1.9336361013	-2.6230474868	 2.8594943271	-0.444119
+C	-1.0243755995	-1.7955629074	 2.1506039994	 0.149863
+C	-0.4298893053	-0.6094817193	 2.9738250435	-0.241546
+C	-0.9171936179	 0.6476972456	 2.1827707266	-0.11215
+C	-2.4240749603	 0.711502373	 2.3195345644	-0.085368
+C	-2.9381836561	-0.3125124292	 1.6284150697	-0.060424
+C	-1.7862528372	-1.0715819909	 0.9991864067	-0.101669
+C	-0.8276296561	 0.1069629601	 0.7229791149	 0.13646
+O	 0.4438148764	-0.3503291027	 0.3082873982	-0.444947
+H	-1.4348445583	-3.1027448198	 3.5273803162	 0.279373
+H	-0.2155946687	-2.397834406	 1.7206738652	 0.079328
+H	-0.8050266059	-0.6155553014	 3.9999546328	 0.093307
+H	 0.661884688	-0.65449999	 2.9938670628	 0.093901
+H	-0.3705682418	 1.5671541405	 2.4030515138	 0.049853
+H	-2.9586807021	 1.4191867093	 2.94106215	 0.09179
+H	-3.9744636769	-0.6175711773	 1.5740856884	 0.099336
+H	-2.0266304038	-1.7182138126	 0.1556626727	 0.065767
+H	-1.2558065524	 0.8140919964	 0.0013810272	 0.067544
+H	 1.0057114292	 0.4165032885	 0.1608106003	 0.283702
+19
+0 4095	2.7734664	1.5908205	1.2885361	2.4891	75.68	-0.24004	0.00793	0.24797	1047.3796	0.156535	-422.558356	-422.549927	-422.548982	-422.591115	32.355
+C	 0.2165811847	-0.4207624176	-0.32552912	-0.399601
+C	 0.8674551163	 0.7054929021	 0.4488218705	 0.125022
+O	 2.2184131626	 0.9797947209	-0.0065292573	-0.31721
+C	 2.7539745938	 0.844597347	 1.3350108611	 0.027399
+C	 3.0489691606	 2.1525057811	 2.0113664023	-0.086152
+C	 2.092566359	 2.4852127557	 2.8813063194	-0.065291
+C	 0.98710602	 1.4601647111	 2.975537684	-0.349725
+C	 1.3628010567	 0.4231543772	 1.8944478761	 0.340136
+O	 1.1530486482	-0.916802182	 2.2605261956	-0.482888
+H	-0.7984177107	-0.6040586783	 0.0415618118	 0.116213
+H	 0.1568250982	-0.1470548902	-1.3835621129	 0.119894
+H	 0.792518097	-1.3425582607	-0.228998376	 0.132904
+H	 0.2543981351	 1.6160603501	 0.3898377869	 0.06913
+H	 3.5706602824	 0.1137056678	 1.3579550374	 0.075932
+H	 3.9286349577	 2.7459026305	 1.788841775	 0.101079
+H	 2.0850774625	 3.3925838086	 3.4767514256	 0.100248
+H	 0.9486627553	 0.990190647	 3.9692784793	 0.098193
+H	-0.0064540203	 1.8954569251	 2.8103841714	 0.115209
+H	 1.587681961	-1.0718679556	 3.1057151999	 0.279506
+19
+0 4096	2.7091952	1.5587032	1.3106139	2.7626	75.47	-0.24094	0.01674	0.25767999999999996	1035.9818	0.157294	-422.565784	-422.557543	-422.556599	-422.598154	32.466
+O	 0.1935397763	-0.1910682413	 0.4073091746	-0.439985
+C	-0.9593747803	 0.4254540248	 0.9017250393	 0.142258
+C	-1.3090815152	 0.2771936408	 2.4120144312	-0.276212
+C	-1.5901147725	 1.808895325	 2.4735860286	-0.136005
+C	-2.9956591422	 2.2671043395	 2.1982076601	-0.077446
+C	-3.1346250974	 2.8099223623	 0.9856409205	-0.066019
+C	-1.8467306625	 2.8249044646	 0.1943930574	-0.341307
+C	-0.9049995718	 1.9828436609	 1.073682887	 0.378312
+O	 0.4549910111	 2.3625177066	 1.0632105117	-0.508653
+H	 0.9334570845	 0.3675783146	 0.6788228807	 0.290782
+H	-1.7929013515	 0.1246883768	 0.2601039785	 0.084997
+H	-2.1286738717	-0.3976462285	 2.670408997	 0.09687
+H	-0.4227991896	 0.0025230733	 2.9904651854	 0.10118
+H	-1.1327978107	 2.3273928514	 3.32445038	 0.068239
+H	-3.7947017958	 2.1667467143	 2.9257876828	 0.093401
+H	-4.0610131908	 3.2135855811	 0.5910025591	 0.094932
+H	-1.9540708527	 2.4025383644	-0.812390704	 0.115609
+H	-1.4622276702	 3.8473509366	 0.0601209163	 0.095907
+H	 0.5390298731	 3.2324451831	 1.4661720439	 0.283141
+19
+0 4097	2.954917	1.5042946	1.1774565	1.1059	76.34	-0.2424	0.00636	0.24876	1094.7062	0.157957	-422.542608	-422.534624	-422.53368	-422.575093	30.497
+C	 0.1961017976	 0.1371887141	-0.328366807	-0.411205
+C	 1.0877710193	-0.1959761721	 0.8478082893	 0.11975
+O	 2.4982108714	-0.0193856493	 0.552516245	-0.31646
+C	 2.7279803317	 0.6638952158	 1.8219480204	 0.038391
+C	 3.3542499553	-0.2332711754	 2.8433371662	-0.072581
+C	 2.6283752219	-0.7963382309	 3.806697836	-0.073565
+C	 1.1558690496	-0.5580133818	 3.9758107803	-0.122681
+O	 0.6534579573	 0.5708278552	 3.278593873	-0.264684
+C	 1.206315826	 0.8186710847	 2.0169492071	 0.057141
+H	 0.3933854879	-0.5379608848	-1.1669698806	 0.128052
+H	-0.8575584351	 0.0335461182	-0.0470240041	 0.121078
+H	 0.3701622113	 1.1632672766	-0.6669867016	 0.119852
+H	 0.8938985318	-1.2192637083	 1.2016301195	 0.074724
+H	 3.3108969851	 1.5774899841	 1.6618535868	 0.080802
+H	 4.4153343649	-0.445193735	 2.744487327	 0.098385
+H	 3.0781284415	-1.4868685994	 4.5162187833	 0.100278
+H	 0.6042799608	-1.4687852181	 3.6823323525	 0.108722
+H	 0.9181090076	-0.3829269011	 5.0317953423	 0.120742
+H	 0.840300984	 1.8053650875	 1.7231296748	 0.093259
+19
+0 4098	3.4845587	1.3322534	1.0829358	1.1723	77.04	-0.24118	0.01849	0.25967	1131.3885	0.158194	-422.547101	-422.53917	-422.538226	-422.579486	30.798
+O	 0.1137988073	-0.0759406656	-0.1493438108	-0.438501
+C	-0.8928991154	 0.2880610187	 0.7745601984	 0.101961
+C	-2.2340861215	-0.3486243257	 0.3379387002	-0.250986
+C	-2.6374617314	 1.0210631797	-0.3056945299	-0.043068
+C	-3.9907004029	 1.6067920084	-0.0760313237	-0.085727
+C	-4.1604067743	 2.6183319408	 0.7728851905	-0.077238
+C	-3.0195932321	 3.1569189588	 1.5951828724	-0.119457
+O	-1.9474744439	 2.2383836615	 1.7277606258	-0.270091
+C	-1.4957493066	 1.6943614543	 0.5052153045	 0.069262
+H	 0.8891027032	 0.4672940304	 0.0284647039	 0.282638
+H	-0.5816460845	 0.1270561232	 1.8143340626	 0.073834
+H	-2.1369768238	-1.2064657001	-0.3291267802	 0.109525
+H	-2.8657184907	-0.6085034691	 1.1891476204	 0.109666
+H	-2.3947011791	 1.0137709773	-1.3729422317	 0.089495
+H	-4.8310928763	 1.2002675976	-0.6337770616	 0.090142
+H	-5.1304566044	 3.0870867912	 0.9134256992	 0.092445
+H	-2.6610017056	 4.1147503204	 1.1756982315	 0.097478
+H	-3.3543295807	 3.3680900262	 2.6171333926	 0.115856
+H	-0.8526945174	 2.4065674122	-0.0351995742	 0.052765
+19
+0 4099	1.9514285	1.6971641	1.5698826	3.0392	75.09	-0.24357	-0.03112	0.21245	1025.9963	0.155564	-422.556499	-422.547606	-422.546662	-422.589843	33.452
+C	-0.8238562322	 2.0782032471	 1.0702765363	-0.502532
+C	-1.1830166708	 1.0549926896	 0.0140942643	 0.184084
+C	-1.8394084731	 1.5269620986	-1.319965413	 0.117248
+O	-1.0245707317	 1.8263248822	-2.4177793947	-0.435268
+C	-2.7572556748	 0.2625011398	-1.3174704834	-0.282249
+C	-2.2618998573	-0.1029754539	 0.1114708704	-0.090924
+C	-1.1402959797	-1.1752467269	 0.1136556387	-0.341922
+C	-0.1624000442	-0.0608234221	-0.2781851869	 0.354005
+O	 0.9382481213	-0.0397329463	-0.7598898874	-0.320708
+H	-0.5127806143	 1.6076617513	 2.0092314151	 0.119789
+H	 0.0038304558	 2.7045519312	 0.7205818627	 0.143694
+H	-1.6756248831	 2.7319069139	 1.2858539983	 0.121952
+H	-2.4355471496	 2.4263888831	-1.1307286151	 0.091695
+H	-0.2769331921	 1.2163795677	-2.4243640152	 0.293596
+H	-3.823863003	 0.4753851566	-1.4102135114	 0.108704
+H	-2.4870083096	-0.4743565647	-2.080084424	 0.104744
+H	-3.0038024156	-0.1440325057	 0.9068178559	 0.076638
+H	-0.9149536285	-1.5295228506	 1.1271304442	 0.132418
+H	-1.2186002076	-2.0397168611	-0.5517904746	 0.125035
+19
+0 4100	2.1620265	1.5861021	1.434807	2.2117	75.65	-0.24403	-0.02668	0.21735	1052.585	0.155524	-422.555094	-422.546184	-422.54524	-422.588717	33.439
+C	-0.6667462775	-1.5725958654	-2.6129948553	-0.419338
+C	-1.6271010238	-1.6120009604	-1.431250733	-0.010403
+C	-2.7474604319	-0.5315925233	-1.3185625779	-0.251146
+C	-2.2118080425	-0.0822274099	 0.0558175207	-0.104121
+C	-1.0867097577	 0.9866026824	-0.0374673597	-0.352026
+C	-0.0591039638	-0.1437647669	 0.1255860014	 0.314939
+O	 1.0527528322	-0.18400565	 0.5821734399	-0.320289
+C	-1.0898019697	-1.2540507441	-0.0137891264	 0.306308
+O	-0.9116072647	-2.3551643511	 0.8066952126	-0.473363
+H	 0.1541174067	-2.2837429143	-2.4741802421	 0.13136
+H	-1.1836152864	-1.8340723945	-3.5425699713	 0.119195
+H	-0.2288344862	-0.5774019108	-2.7483596709	 0.115983
+H	-2.0569548819	-2.6138047841	-1.339220366	 0.09967
+H	-2.7322377823	 0.2455949673	-2.0887864995	 0.097694
+H	-3.7513131126	-0.9605140471	-1.2865416311	 0.107637
+H	-2.8987961401	 0.0175924092	 0.8942431168	 0.085174
+H	-1.0401627698	 1.5387519527	-0.9802856808	 0.125012
+H	-1.0362321938	 1.7025904444	 0.7874399444	 0.134123
+H	-0.1993410244	-2.1477024639	 1.4257293282	 0.293589
+19
+0 4101	2.0338954	1.6241156	1.5750918	4.1005	74.54	-0.26489	0.01203	0.27692	1036.5982	0.156186	-422.579695	-422.570901	-422.569957	-422.61296	32.614
+C	-0.7081626748	-1.5638991061	-2.4728385063	-0.415558
+C	-1.6649601738	-1.5063556956	-1.2903040909	-0.024583
+C	-2.7001295909	-0.3358401961	-1.2149976664	-0.261259
+C	-2.1396919932	 0.0644584659	 0.1606306911	 0.069024
+O	-1.0528367277	 1.0388784315	 0.0335877424	-0.264028
+C	-0.09785786	 0.0462090277	 0.0299358824	 0.436362
+O	 1.0831549415	 0.1786281689	-0.0285254923	-0.341378
+C	-1.1069698297	-1.0976110936	 0.1270068318	 0.112369
+C	-0.8746283296	-2.1645067161	 1.1711523259	-0.501018
+H	 0.0426665159	-2.349656255	-2.3391858909	 0.125675
+H	-1.2551575945	-1.7774046682	-3.3973986331	 0.118669
+H	-0.1766298681	-0.6169288532	-2.609079984	 0.138183
+H	-2.1773688867	-2.4680918384	-1.1863565911	 0.083264
+H	-2.5960131905	 0.4468614437	-1.9699487306	 0.120745
+H	-3.7401249612	-0.6688598742	-1.1897725222	 0.111006
+H	-2.7933261482	 0.3120800569	 0.9958896963	 0.096736
+H	-0.0081003892	-2.7765132604	 0.8989894422	 0.142339
+H	-0.6760123729	-1.7297641376	 2.1558969254	 0.132229
+H	-1.7422364565	-2.8265407204	 1.2571857402	 0.121222
+19
+0 4102	2.0386395	1.6169075	1.5470897	1.8941	75.42	-0.24245	-0.027	0.21545	1041.0671	0.154737	-422.551312	-422.54227	-422.541326	-422.584919	33.361
+C	-0.7047875314	-1.5573265806	-2.5036342991	-0.408993
+C	-1.6459780076	-1.4267413905	-1.3241521454	 0.115644
+O	-2.4913662777	-0.2486581283	-1.3795692458	-0.313435
+C	-2.1534873494	 0.131955816	-0.0342371838	 0.067754
+C	-1.0287313815	 1.1924458771	 0.0010661092	-0.364477
+C	-0.0124567773	 0.0317831919	 0.029536727	 0.369987
+O	 1.1824012191	-0.0291151447	 0.0685581696	-0.307059
+C	-1.1200588423	-1.0404915471	 0.0906909227	 0.129811
+C	-1.0228821963	-2.1049624749	 1.1594130527	-0.502431
+H	-0.0830010572	-2.4522612823	-2.3948755961	 0.125992
+H	-1.2802086008	-1.6531970137	-3.4297479269	 0.130302
+H	-0.0466133642	-0.689305426	-2.5944287156	 0.131634
+H	-2.2766567723	-2.3250914626	-1.2479554424	 0.079674
+H	-3.0257006835	 0.2659244764	 0.6087300908	 0.084454
+H	-0.9830078905	 1.8784408412	-0.847800328	 0.138214
+H	-0.9915410734	 1.7673497195	 0.9339327953	 0.132034
+H	-0.1707672353	-2.7639383747	 0.9603667255	 0.140631
+H	-0.8718259088	-1.667422386	 2.1514551197	 0.12621
+H	-1.9293902196	-2.7179544307	 1.1915073305	 0.124056
+19
+0 4103	3.2505791	1.2798102	1.1030681	1.7813	75.29	-0.23855	-0.02683	0.21172000000000002	1153.7003	0.15677	-422.577493	-422.569253	-422.568309	-422.610619	31.282
+C	-3.2425918847	-1.9515276121	 2.7624543836	-0.402591
+C	-2.2437999209	-1.1326758662	 1.9647295336	 0.129645
+C	-1.1197662167	-1.9348749391	 1.2809227668	-0.241878
+C	-0.7578136273	-1.0560116618	 0.0765929363	-0.173711
+C	-2.021257456	-0.1527635075	-0.1287486356	 0.100245
+C	-1.1664115037	 1.1339202854	 0.1069331117	-0.374077
+C	 0.0405638104	 0.2260473006	 0.3972120851	 0.394405
+O	 1.1663716928	 0.4221771945	 0.7525466759	-0.297844
+O	-2.9377439184	-0.4771933185	 0.8951652149	-0.270129
+H	-2.7449847376	-2.4505540511	 3.5996215994	 0.118764
+H	-4.0316088976	-1.3103288893	 3.1645487125	 0.128681
+H	-3.706906233	-2.7112204783	 2.1261845801	 0.122986
+H	-1.7911624369	-0.3723775981	 2.6235023006	 0.076301
+H	-0.2703546201	-2.1159035522	 1.9442220241	 0.123211
+H	-1.5024359441	-2.9016181635	 0.9371218133	 0.108367
+H	-0.3744949695	-1.6147104586	-0.7797035425	 0.100401
+H	-2.5469385442	-0.1959305058	-1.0834471591	 0.087409
+H	-1.0226437028	 1.7488217494	-0.7875165686	 0.132669
+H	-1.4895264297	 1.7807751421	 0.9274367578	 0.137148
+19
+0 4104	3.0443026	1.3422132	1.1224024	3.3749	75.14	-0.2278	-0.0316	0.19619999999999999	1142.4963	0.156883	-422.573074	-422.564835	-422.56389	-422.606269	31.222
+C	-2.929718538	-2.1454199803	-2.808899721	-0.406151
+C	-2.1244328475	-1.2081559132	-1.9287444482	 0.130468
+C	-2.9355841833	-0.1246831838	-1.1843739197	-0.236292
+C	-2.109584027	 0.1619515022	 0.0794346043	-0.064268
+C	-0.8950915975	 1.1249590749	-0.0766455519	-0.367048
+C	 0.0308842359	-0.1039838155	-0.1629203336	 0.374618
+O	 1.1874377713	-0.2574920674	-0.4201457586	-0.284977
+C	-1.1529780952	-1.0823467932	 0.138751673	 0.001076
+O	-1.5033316415	-1.975000698	-0.8864317638	-0.258431
+H	-3.7082244077	-2.6435006891	-2.2228650356	 0.12374
+H	-3.4056827301	-1.5896635393	-3.6226034036	 0.118114
+H	-2.2840937052	-2.9109716206	-3.2472956933	 0.132157
+H	-1.3374052218	-0.7260681708	-2.5322774482	 0.079667
+H	-3.1029838672	 0.7625785155	-1.8013241882	 0.10526
+H	-3.9137370385	-0.5313291893	-0.9067607258	 0.106194
+H	-2.7269192573	 0.3464431338	 0.9576711269	 0.08204
+H	-0.8816918197	 1.7742307332	-0.9579396259	 0.127972
+H	-0.6911169119	 1.7418999996	 0.8042807789	 0.134263
+H	-1.0540436377	-1.6344979089	 1.0774671144	 0.101597
+19
+0 4105	3.2237162	1.2720752	1.1162344	4.1659	74.36	-0.26769	0.0125	0.28019	1152.3967	0.158543	-422.611437	-422.603529	-422.602584	-422.64388	30.342
+C	-2.9955124073	-1.9191566261	 3.0057912651	-0.412954
+C	-2.0965301431	-1.1079204243	 2.0760105206	 0.026236
+C	-2.8526734122	-0.1079211387	 1.1706523074	-0.22965
+C	-1.8897544095	 0.2003155261	 0.033828279	 0.115297
+O	-0.7938964936	 1.0955037998	 0.4495763986	-0.264301
+C	 0.1313752642	 0.0843438303	 0.3651961353	 0.452642
+O	 1.2991311632	 0.1501153225	 0.5798476549	-0.330445
+C	-0.8894979606	-0.9803561816	-0.0466028007	-0.228034
+C	-1.2856493231	-1.9592207363	 1.0703257678	-0.231381
+H	-3.5490643369	-1.2681857558	 3.6902796985	 0.11903
+H	-3.727309184	-2.50289389	 2.4349473275	 0.113254
+H	-2.4112917081	-2.618219758	 3.6129561856	 0.119719
+H	-1.3872845566	-0.5374642518	 2.6889280962	 0.099819
+H	-3.7454056736	-0.5878343866	 0.7474672781	 0.102998
+H	-3.1791086268	 0.7948645535	 1.6943390378	 0.118674
+H	-2.341293768	 0.5786520512	-0.8835534128	 0.095341
+H	-0.6908531329	-1.4414966393	-1.0141504794	 0.106982
+H	-1.9219971131	-2.7475038184	 0.6492930591	 0.103589
+H	-0.4182919282	-2.4456278564	 1.5249987016	 0.123184
+19
+0 4106	3.0365388	1.263814	1.0812992	3.4354	74.55	-0.24018	-0.02375	0.21643	1154.9953	0.157528	-422.582555	-422.574416	-422.573472	-422.615446	31.454
+O	-2.7503184159	-1.6698770627	-3.207291628	-0.432494
+C	-2.0410049156	-0.9997042219	-2.1865858066	 0.136797
+C	-2.9180317075	-0.1789852558	-1.2151087632	-0.245144
+C	-2.0326765307	 0.0801347643	 0.0108570328	-0.02905
+C	-0.9368044816	 1.181370831	-0.1476371747	-0.362114
+C	 0.1200150469	 0.0682784314	-0.240082481	 0.408593
+O	 1.3022761009	 0.0581343074	-0.4263091376	-0.298436
+C	-0.9245897448	-1.0445436623	-0.0264941859	-0.150043
+C	-1.2127038766	-1.914602159	-1.2590982147	-0.249738
+H	-3.3728411197	-2.2738408381	-2.7870539667	 0.275261
+H	-1.3623264625	-0.3267360908	-2.7248882231	 0.101228
+H	-3.3099726974	 0.7334120997	-1.6735646857	 0.10755
+H	-3.781437927	-0.7943325876	-0.9262989079	 0.087316
+H	-2.6027298951	 0.1632223126	 0.9362404589	 0.076973
+H	-1.0058853384	 1.8250738877	-1.0308132161	 0.12939
+H	-0.8001283185	 1.8228119288	 0.7287842219	 0.131806
+H	-0.752913464	-1.6237767349	 0.8841675845	 0.096344
+H	-0.3056885133	-2.2933645212	-1.7366665781	 0.125236
+H	-1.8239943593	-2.7800566487	-0.9700900087	 0.090525
+19
+0 4107	3.7882879	1.1856831	1.0295233	4.3473	74.96	-0.26332	0.01631	0.27963	1198.6476	0.157992	-422.599691	-422.591584	-422.59064	-422.633197	30.523
+C	-4.133689558	-1.5317210271	-1.3729656427	-0.408059
+C	-2.7677211292	-0.858899491	-1.4364946181	 0.013605
+C	-2.7911961463	 0.7039861365	-1.441620113	-0.262393
+C	-2.1842391064	 0.7261448082	-0.0061866741	-0.031226
+C	-0.7725815846	 1.2705431348	 0.1578202025	-0.379785
+C	 0.1425333684	 0.0826797276	-0.1470734964	 0.414562
+O	 1.3300558372	 0.0829543496	-0.2843342668	-0.329749
+O	-0.5978858794	-1.0604046065	-0.2348447011	-0.221541
+C	-1.9994502255	-0.8197068891	-0.0894154998	 0.088456
+H	-4.7418544027	-1.1263425785	-0.5555797534	 0.114567
+H	-4.6885481743	-1.3761066096	-2.3038157947	 0.122591
+H	-4.0366954167	-2.6109346046	-1.213527907	 0.123724
+H	-2.1628942755	-1.3003228178	-2.232890554	 0.092167
+H	-2.14756522	 1.1627695877	-2.1970283519	 0.107278
+H	-3.7866964927	 1.1461378139	-1.5275691356	 0.106136
+H	-2.8752588926	 1.0710813036	 0.7627484779	 0.083425
+H	-0.5254491575	 2.1003990497	-0.5086654898	 0.140055
+H	-0.5596676905	 1.6018691799	 1.179664787	 0.139852
+H	-2.3733076538	-1.4555186073	 0.7173850212	 0.086335
+19
+0 4108	3.5408947	1.2063452	1.0459955	4.3875	75.04	-0.26331	0.01638	0.27969	1190.5198	0.157941	-422.600766	-422.592728	-422.591784	-422.633664	30.576
+C	-4.234527526	-1.2256775282	-1.5455062707	-0.413518
+C	-2.8773475468	-0.5645535345	-1.359977226	 0.03099
+C	-2.8366721535	 0.9889820299	-1.2242779778	-0.257751
+C	-1.9133150024	 0.8458023947	 0.0015197076	 0.100732
+O	-0.5259813931	 0.9756346511	-0.3307439603	-0.228955
+C	 0.1365318517	-0.2176070174	-0.294891804	 0.419922
+O	 1.3006823988	-0.3056609669	-0.551740209	-0.331135
+C	-0.8274089184	-1.332833462	 0.1186220814	-0.382933
+C	-2.1991512645	-0.6839548985	 0.0464705201	-0.044787
+H	-4.938800267	-0.9046380248	-0.7692436917	 0.113881
+H	-4.6702033684	-0.9670865042	-2.5166597754	 0.121958
+H	-4.1570033161	-2.3173913608	-1.4951867928	 0.119163
+H	-2.1913074173	-0.9069787351	-2.1425014286	 0.082223
+H	-2.427998233	 1.5625829379	-2.0583794469	 0.11913
+H	-3.8096826722	 1.4059974483	-0.9470339685	 0.1052
+H	-2.112438765	 1.4689843298	 0.8760173698	 0.089826
+H	-0.6933265121	-2.1932161022	-0.5416175663	 0.138975
+H	-0.5583808044	-1.6538530712	 1.1308749027	 0.138249
+H	-2.8903823202	-1.0003679659	 0.8291239964	 0.078829
+19
+0 4109	3.5579955	1.1989636	1.0681835	3.229	74.89	-0.23881	-0.01918	0.21963	1181.0188	0.156949	-422.579851	-422.571633	-422.570689	-422.61317	31.034
+C	-4.2529248404	-1.1620404617	-1.5614728862	-0.40607
+C	-2.821600961	-0.6891368061	-1.3972060944	 0.158106
+O	-2.7234264958	 0.7590835018	-1.3464758396	-0.311682
+C	-2.2133197751	 0.7379877516	 0.0038776423	 0.118649
+C	-0.7801459845	 1.2423630849	 0.0923391368	-0.333615
+C	 0.0983809576	 0.0303097988	-0.2439556214	 0.387718
+O	 1.2316228506	 0.0645235468	-0.6425127715	-0.300506
+C	-0.7144024172	-1.2452853495	 0.0369190504	-0.344691
+C	-2.1838906402	-0.8241559188	 0.0062036276	-0.10154
+H	-4.8816356251	-0.8015076645	-0.7410460292	 0.119492
+H	-4.6698526402	-0.7883381706	-2.5015962116	 0.130479
+H	-4.2957149537	-2.2568692009	-1.5782864586	 0.116466
+H	-2.1960604166	-1.0852424954	-2.2095089631	 0.080299
+H	-2.8987648889	 1.2356492271	 0.697282766	 0.077947
+H	-0.5790353975	 2.0807219698	-0.5777434118	 0.143062
+H	-0.5360299388	 1.5617861896	 1.1146841786	 0.125034
+H	-0.4517762966	-2.0313485507	-0.6759363411	 0.131601
+H	-0.4223673106	-1.6044202391	 1.0323001463	 0.129933
+H	-2.8047897762	-1.3335757628	 0.7437007804	 0.079318
+19
+0 4110	3.1489597	1.2205549	1.0452485	2.5316	74.59	-0.23754	-0.0161	0.22144	1178.7054	0.157201	-422.581403	-422.573119	-422.572175	-422.615035	31.528
+O	-3.8951738379	-1.535244418	 1.719155134	-0.433939
+C	-2.798428625	-0.6851110327	 1.4782535836	 0.135113
+C	-3.0641571291	 0.8338171494	 1.2819345485	-0.276209
+C	-2.2000479077	 0.7985179656	-0.0091410908	-0.039083
+C	-0.7112092085	 1.1483654943	 0.1471931348	-0.33263
+C	 0.0668045738	-0.1784713702	 0.2210373845	 0.385061
+O	 1.2213431587	-0.2886395577	 0.5405782602	-0.30674
+C	-0.8692558891	-1.3272793282	-0.1799389459	-0.342717
+C	-2.2729628602	-0.7756690582	 0.0239533001	-0.024574
+H	-4.1704793518	-1.4254305545	 2.6350410112	 0.283548
+H	-1.9924230373	-0.8667296491	 2.2062681999	 0.067901
+H	-4.1200051298	 1.003439615	 1.0543851128	 0.108135
+H	-2.7536839593	 1.5146141622	 2.0800619121	 0.094526
+H	-2.644327347	 1.2893357595	-0.8756145504	 0.076308
+H	-0.32635355	 1.7087979244	-0.712733443	 0.132525
+H	-0.4828596484	 1.7510025313	 1.0318288569	 0.129086
+H	-0.6769730313	-1.5545080627	-1.2375323276	 0.127002
+H	-0.6392254009	-2.2307654247	 0.3909887428	 0.131474
+H	-3.0327525193	-1.2081570261	-0.6281012837	 0.085213
+19
+0 4111	3.2679372	1.2384078	1.056639	1.7393	79.24	-0.22815	0.0054	0.23354999999999998	1191.9858	0.156393	-422.530724	-422.522213	-422.521268	-422.563768	32.412
+C	-0.1155725271	 1.5116426002	 0.1486381023	-0.388017
+C	 0.0904990318	 0.003225839	 0.0632661947	 0.106583
+O	-1.1972664294	-0.6435782571	-0.1002582769	-0.292526
+C	-1.2262149072	-1.7879047824	 0.726925808	 0.084648
+C	-2.085626582	-1.8831079554	 2.0394495031	-0.301214
+C	-0.7611390963	-2.3039156652	 2.8064654126	 0.044761
+O	-0.4681718072	-1.740995195	 4.0563359683	-0.422209
+C	-0.0461759899	-1.6773261634	 1.6404221011	 0.195147
+C	 0.6707053233	-0.6034701694	 1.3373103732	-0.240316
+H	 0.8480648979	 2.0303543002	 0.1843245719	 0.11203
+H	-0.6637616356	 1.8628105073	-0.7300958654	 0.126432
+H	-0.6890966343	 1.7715607355	 1.0432114801	 0.121593
+H	 0.7051825432	-0.222882119	-0.8241325621	 0.080753
+H	-1.3150009613	-2.6985696597	 0.1196310366	 0.075536
+H	-2.4006208867	-0.8919997432	 2.3700412746	 0.121878
+H	-2.9202244114	-2.5888362929	 2.0541505399	 0.095269
+H	-0.6697884642	-3.3994859963	 2.8248596052	 0.080663
+H	-0.893062018	-2.2727874634	 4.7362803875	 0.287613
+H	 1.4185979644	-0.1028855699	 1.9383943254	 0.111374
+19
+0 4112	3.3358618	1.191272	1.0227609	2.491	78.3	-0.24168	0.00528	0.24696	1215.4833	0.156595	-422.529549	-422.521029	-422.520085	-422.562592	32.385
+C	 0.0142397383	 1.5106641093	 0.1716734688	-0.40069
+C	 0.0452261973	 0.0058244948	 0.0096529523	 0.082712
+O	-1.2050214013	-0.6537632961	 0.4215788089	-0.331006
+C	-0.4535212757	-1.7057165543	 1.11836714	 0.105133
+C	-0.610703591	-1.9747213397	 2.6220537997	-0.264017
+C	 0.8448744495	-1.809420462	 3.1590778957	 0.095427
+O	 0.7828809314	-1.2972679267	 4.4830334899	-0.425209
+C	 1.461771028	-0.8117272469	 2.1658199377	-0.253498
+C	 0.7557794777	-0.8375947217	 1.0431483045	 0.1679
+H	 0.9798211888	 1.9417314315	-0.1134804257	 0.119561
+H	-0.7563866096	 1.943456072	-0.4735631823	 0.129851
+H	-0.2028158024	 1.7790837089	 1.2083644403	 0.129643
+H	 0.2736368691	-0.2710568995	-1.0296821774	 0.081366
+H	-0.4691630498	-2.6216457073	 0.51325041	 0.07747
+H	-1.2094972381	-1.1786495311	 3.0747135744	 0.132268
+H	-1.0556854882	-2.9403762792	 2.8744475769	 0.097185
+H	 1.3727693815	-2.7764162296	 3.1610361461	 0.073409
+H	 1.6444990372	-1.4159560451	 4.8941915472	 0.284065
+H	 2.2571930174	-0.1331815574	 2.4515571729	 0.09843
+19
+0 4113	3.2975551	1.1579521	0.9701939	2.9876	78.94	-0.23247	0.009	0.24147000000000002	1238.472	0.157247	-422.541353	-422.532917	-422.531973	-422.574339	32.549
+O	-0.257056273	 1.4256706866	 0.1335949139	-0.426326
+C	-0.0157128429	 0.0501129304	 0.0065625041	 0.040927
+C	 0.2349100058	-0.5872369707	-1.424495488	-0.290578
+C	-0.7069819318	-1.7686211639	-1.007038713	-0.050553
+C	-1.9861323322	-2.2180204157	-1.7414987927	-0.274151
+C	-3.1411311693	-1.9269122515	-0.721857774	 0.130538
+O	-4.3629085077	-1.5526154854	-1.3384254246	-0.431662
+C	-2.550590856	-0.8356096273	 0.1734681818	-0.3038
+C	-1.2287835868	-0.83422055	 0.0531934767	 0.29036
+H	 0.5880644084	 1.8768313176	 0.2212446682	 0.286805
+H	 0.7684821604	-0.289248946	 0.7002916553	 0.080043
+H	-0.2227281642	 0.046727255	-2.1881556579	 0.111066
+H	 1.268254468	-0.819923841	-1.6953766447	 0.094504
+H	-0.1266116182	-2.6145642048	-0.6231296279	 0.077759
+H	-2.1605574039	-1.5907641176	-2.6245928925	 0.093957
+H	-1.9727978606	-3.2587432832	-2.0763738514	 0.099717
+H	-3.3993371287	-2.8302404302	-0.15427497	 0.093808
+H	-4.2090875839	-0.7167854354	-1.7940618813	 0.27253
+H	-3.1768168537	-0.1441219566	 0.7238939678	 0.105056
+19
+0 4114	2.3479048	1.7149482	1.5141612	2.6443	74.7	-0.23121	-0.02208	0.20913	994.6259	0.157822	-422.558426	-422.550478	-422.549533	-422.590612	30.893
+C	-0.8293098736	-0.0946468378	 3.2157498029	-0.400885
+C	-1.9073997408	-0.0385617699	 2.1292924945	 0.123732
+C	-1.8789417848	 1.2902935071	 1.3233320206	-0.247126
+C	-1.1059217354	 1.1280852246	-0.004807956	-0.139696
+C	-1.8135026422	 0.0055241655	-0.8305228361	-0.253574
+C	-1.0877032187	-1.0265359117	 0.0842091008	 0.016599
+O	-1.8088765185	-1.206402961	 1.2897252998	-0.285466
+C	 0.0010059182	 0.0804940501	 0.2033246519	 0.399762
+O	 1.1969917317	 0.0954299512	 0.2107193325	-0.323311
+H	-0.8614595043	-1.0658772684	 3.7161049046	 0.127466
+H	 0.1752567289	 0.045693816	 2.8065390114	 0.141932
+H	-1.0042335775	 0.6871638114	 3.96252962	 0.113249
+H	-2.8840213228	-0.1380717167	 2.6139174677	 0.088538
+H	-2.8958339335	 1.6235471419	 1.089878032	 0.111022
+H	-1.4167157934	 2.0676746082	 1.9394645263	 0.115721
+H	-0.8547625443	 2.0811311802	-0.4718275621	 0.088328
+H	-2.9039019762	-0.0229321653	-0.7821554944	 0.110926
+H	-1.4702741727	-0.0388403526	-1.8667555545	 0.11539
+H	-0.8202852901	-2.0129394429	-0.2960223818	 0.097394
+19
+0 4115	2.8270607	1.3255844	1.3200263	2.3011	74.5	-0.24768	-0.02071	0.22697	1090.3775	0.157863	-422.565314	-422.557349	-422.556404	-422.59775	30.762
+C	-1.7527670983	-0.0134814339	 3.6856073403	-0.413264
+C	-1.9260760182	-0.0207477869	 2.1659617472	 0.067137
+C	-1.4022578785	 1.2839139601	 1.5089378338	-0.250247
+C	-1.1720881065	 1.0387999695	 0.0038533441	-0.045285
+O	-2.0554241652	-0.0274505552	-0.460036066	-0.292615
+C	-1.1009271724	-1.0296757764	 0.0056246785	-0.045286
+C	-1.3137926233	-1.2874478543	 1.5111438875	-0.250248
+C	-0.0150938118	 0.0430068842	-0.1513984801	 0.428536
+O	 1.1582607688	 0.0831972522	-0.3599212711	-0.305356
+H	-2.1845980043	-0.9130610614	 4.1367718607	 0.115999
+H	-0.6931203749	 0.0232263846	 3.9634791244	 0.117893
+H	-2.2454509443	 0.8550502473	 4.1352583347	 0.115999
+H	-2.9964267021	-0.0577633226	 1.9421079653	 0.097176
+H	-2.1266702367	 2.0901112609	 1.6638400597	 0.111434
+H	-0.4593931765	 1.6121065155	 1.9654924573	 0.114912
+H	-1.2162634056	 1.9322757857	-0.6225240152	 0.103433
+H	-1.0835617038	-1.925150556	-0.6192131105	 0.103433
+H	-1.9810946807	-2.1412581879	 1.6674701448	 0.111434
+H	-0.3506283356	-1.5492813655	 1.9682036348	 0.114912
+19
+0 4116	2.7655877	1.3231797	1.3168801	3.6546	74.55	-0.23286	-0.01215	0.22071000000000002	1077.1743	0.158701	-422.574729	-422.566817	-422.565873	-422.606994	30.967
+O	-1.7240231867	 0.0219103728	 3.5133606546	-0.43892
+C	-1.9720960503	-0.0374333166	 2.1158470855	 0.134116
+C	-1.415513279	 1.2627328481	 1.5005258191	-0.219704
+C	-1.0957453693	 1.0816688065	-0.001917203	-0.145362
+C	-2.0220382127	-0.0067053083	-0.6418166375	-0.254792
+C	-1.062168765	-1.0844787684	-0.0346256765	-0.138681
+C	-1.3699882204	-1.309296549	 1.4651411018	-0.256532
+C	 0.0064923005	 0.0173166027	-0.1082615452	 0.438575
+O	 1.1900572767	 0.0371687409	-0.2840976652	-0.324484
+H	-2.1538597214	-0.7337406277	 3.9267720788	 0.281579
+H	-3.0577173913	-0.0533039853	 1.9405120476	 0.073459
+H	-2.1383471098	 2.0718005161	 1.64476274	 0.108151
+H	-0.5074441114	 1.5459180747	 2.0437249984	 0.129875
+H	-0.9467559488	 2.0335212398	-0.5141771551	 0.087626
+H	-3.0678204453	-0.0266094009	-0.3314312859	 0.105737
+H	-1.9677887242	 0.0097174846	-1.7322230389	 0.113164
+H	-0.8846530757	-2.0170443842	-0.5728510577	 0.086423
+H	-2.0638516884	-2.1497404893	 1.5872640652	 0.095373
+H	-0.4478652177	-1.5722571864	 1.9957297039	 0.124397
+19
+0 4117	3.0350841	1.6098264	1.4301597	2.1734	74.37	-0.25087	0.00078	0.25165	993.0668	0.159074	-422.570725	-422.563428	-422.562484	-422.602008	29.626
+C	 0.1396562054	-0.041492171	-0.3272619146	-0.39964
+C	 1.5738526218	-0.2082138757	 0.1488482238	 0.150751
+C	 2.2097720777	-1.54245108	-0.3186341112	-0.224127
+C	 3.4156881526	-1.8828512827	 0.5804423033	 0.016707
+O	 2.8851157729	-1.9442485366	 1.9120338279	-0.237909
+C	 2.709977674	-0.5790511865	 2.2270943501	 0.139301
+O	 1.5483964294	-0.0825678804	 1.5831805252	-0.28214
+C	 3.9773199412	 0.0636131356	 1.6655212181	-0.100685
+C	 4.3842596561	-0.7083942985	 0.6627332855	-0.095598
+H	-0.4922332962	-0.8425700539	 0.0675474347	 0.12546
+H	-0.265487583	 0.9151246666	 0.0140083514	 0.123637
+H	 0.0953953004	-0.0675080597	-1.4210084788	 0.110811
+H	 2.1822649925	 0.6126377505	-0.2559848626	 0.074405
+H	 1.4865769956	-2.3596661337	-0.2274194548	 0.11078
+H	 2.4912914332	-1.4546084443	-1.3743445711	 0.096406
+H	 3.8701426019	-2.845435471	 0.3347682875	 0.083012
+H	 2.5315788547	-0.4718037941	 3.2978112511	 0.089784
+H	 4.361483728	 1.0255951579	 1.9759668446	 0.110598
+H	 5.187137232	-0.5271503324	-0.03977359	 0.108446
+19
+0 4118	3.0134339	1.6530974	1.4771908	1.5321	74.73	-0.25286	-0.00751	0.24534999999999998	976.6001	0.159175	-422.567482	-422.560196	-422.559252	-422.598698	29.653
+C	 0.1522027325	-0.2017031073	-0.3195392573	-0.399029
+C	 1.462500974	 0.1827081032	 0.3325762489	 0.237788
+O	 1.5468966762	 1.6015780777	 0.3437743984	-0.294357
+C	 2.5521721749	 2.1119960455	 1.2404380608	 0.078752
+C	 2.1620274667	 1.6689107474	 2.6602618572	-0.22657
+C	 2.4967850225	 0.1775605281	 2.4921967298	 0.078749
+O	 1.4898157383	-0.3906139037	 1.6329409286	-0.294347
+C	 3.8471018254	 0.2551602636	 1.7783258676	-0.094886
+C	 3.8791683107	 1.3749633883	 1.0537122839	-0.09488
+H	-0.6830471035	 0.1970017531	 0.2609906585	 0.128078
+H	 0.1097515085	 0.2053170521	-1.3327469368	 0.123681
+H	 0.0674554184	-1.2901272465	-0.3665156945	 0.123657
+H	 2.3140563556	-0.212880809	-0.2410304506	 0.066775
+H	 2.5857268104	 3.1879858623	 1.0650561145	 0.076576
+H	 2.7931448008	 2.1411348815	 3.4179286113	 0.097981
+H	 1.1068363982	 1.8410877215	 2.8796637796	 0.105658
+H	 2.4823154235	-0.4236694924	 3.4021148352	 0.076577
+H	 4.588431862	-0.5341998813	 1.7953430033	 0.104898
+H	 4.6519331149	 1.6833394458	 0.3603955216	 0.104899
+19
+0 4119	2.9705541	1.5396388	1.3666463	2.3427	74.39	-0.2372	0.00871	0.24591	1005.25	0.159521	-422.574146	-422.566809	-422.565864	-422.605439	29.976
+O	 0.295889047	 1.1092521843	 0.2946499638	-0.438185
+C	-0.9520108087	 0.6434497632	 0.7983357816	 0.125208
+C	-1.5252186266	-0.3193392695	-0.2571046327	-0.203964
+C	-2.6348495966	-1.2051818053	 0.352766815	 0.014681
+O	-2.0479639082	-1.9256041757	 1.4406736613	-0.249274
+C	-2.0014148336	-0.9519606067	 2.4859921171	 0.025258
+C	-0.7969606163	-0.0302039818	 2.1826564245	-0.241096
+C	-3.3263562161	-0.2179238227	 2.3148503843	-0.083164
+C	-3.702789394	-0.3695465557	 1.0485122022	-0.079478
+H	 0.6283391756	 1.7794215389	 0.9006768564	 0.276976
+H	-1.6445182281	 1.489883316	 0.903156898	 0.069272
+H	-1.886822627	 0.248586157	-1.121091706	 0.097219
+H	-0.720557526	-0.9754298782	-0.6040504799	 0.118372
+H	-3.01779843	-1.9259638316	-0.374595908	 0.081899
+H	-1.8829184101	-1.471075007	 3.4410471231	 0.081004
+H	-0.6710075097	 0.7320108683	 2.9627158268	 0.082023
+H	 0.1057960976	-0.6496137301	 2.1699124705	 0.115198
+H	-3.8012295413	 0.3761040631	 3.0848112783	 0.103413
+H	-4.5542703277	 0.0738207937	 0.5489619434	 0.104639
+19
+0 4120	2.6173537	1.6957389	1.2587282	2.7128	73.97	-0.22753	-0.01842	0.20911000000000002	1043.9736	0.158075	-422.570649	-422.56274	-422.561796	-422.603036	30.565
+C	-0.2466122649	-2.433088682	-0.8970699752	-0.405667
+C	-0.851887301	-1.2611074974	-0.128198846	-0.068819
+C	-2.3672760381	-1.0309705663	-0.4021320106	-0.246329
+C	-2.729969851	 0.4361149582	-0.1486644804	 0.088317
+C	-1.9767236378	 1.3872925253	-1.1019209437	-0.250089
+C	-0.8941660286	 1.2764477539	-0.0025975836	-0.012296
+O	-1.917882818	 0.9265291739	 0.9654956259	-0.294334
+C	-0.0588269448	 0.0385358955	-0.3155532061	 0.387992
+O	 1.0868013954	 0.0912459146	-0.6929976823	-0.324133
+H	-0.7646551075	-3.3658037431	-0.6537758597	 0.111324
+H	-0.3231912559	-2.2742855233	-1.9779552996	 0.118356
+H	 0.8122891292	-2.546454881	-0.6553895322	 0.137542
+H	-0.7608526118	-1.455320035	 0.9496771198	 0.122861
+H	-2.6156709705	-1.2946562798	-1.4374810538	 0.10659
+H	-2.9586574734	-1.6879090003	 0.2431801306	 0.111285
+H	-3.7976756364	 0.598168169	 0.0177721873	 0.084903
+H	-1.7387304282	 1.0413217906	-2.1105841911	 0.112948
+H	-2.4160739242	 2.3853176317	-1.1335722082	 0.120216
+H	-0.2904823326	 2.1406939155	 0.2786522388	 0.099334
+19
+0 4121	2.5321803	1.7859688	1.3027277	2.3336	75.	-0.23826	-0.01604	0.22222	1023.5021	0.157746	-422.566918	-422.558976	-422.558032	-422.599458	30.747
+C	-0.4837826522	-2.2281757653	 1.1703793134	-0.393997
+C	-0.8919607858	-1.2180841502	 0.1046512161	 0.027576
+O	-2.3057436326	-1.000672369	 0.1806841095	-0.289339
+C	-2.7306964212	 0.3418221894	 0.0318027177	 0.133932
+C	-2.0285928324	 1.2663873595	 1.059027505	-0.254634
+C	-0.8595751927	 1.3427277587	 0.0205008786	-0.126355
+C	-1.9416930371	 1.0858414009	-1.0766037963	-0.264786
+C	-0.0544217491	 0.0763068147	 0.1811767506	 0.389094
+O	 1.1432352223	 0.0395267896	 0.3312624369	-0.336211
+H	-1.0290741601	-3.1643545358	 1.027923903	 0.124579
+H	 0.5892342038	-2.4184196657	 1.1023583365	 0.140212
+H	-0.7113886193	-1.8451954458	 2.1694431302	 0.121919
+H	-0.6637971315	-1.6416815369	-0.8876496989	 0.108768
+H	-3.8203941893	 0.3111023974	-0.0084760931	 0.083648
+H	-2.5289344059	 2.2331904368	 1.1530775597	 0.112418
+H	-1.8252900545	 0.8553225865	 2.0506396096	 0.112804
+H	-0.2155773915	 2.220778791	-0.0237372964	 0.085424
+H	-2.4347926993	 2.0177625345	-1.3619342615	 0.113556
+H	-1.6635707017	 0.5279541499	-1.9739969006	 0.111391
+19
+0 4122	2.6500491	1.6868017	1.2658159	3.1989	74.49	-0.24595	-0.01926	0.22669	1029.0036	0.159214	-422.581514	-422.573999	-422.573055	-422.613245	30.147
+O	-0.5654885766	-2.5437871054	 0.5229492644	-0.449182
+C	-0.9914192807	-1.3852171534	-0.1413403537	 0.060882
+C	-2.4955977983	-1.0969846931	 0.0781762788	-0.237412
+C	-2.7886575141	 0.4091755454	-0.025385414	-0.018293
+C	-1.9832728244	 1.1812733653	 1.0531841315	-0.223454
+C	-0.7804183948	 1.1591179031	 0.0412986013	-0.116954
+C	-1.8609821315	 1.0867881299	-1.0787232548	-0.245661
+C	-0.1330497618	-0.1825140659	 0.2632812069	 0.376097
+O	 0.9512616186	-0.3534827031	 0.7784040186	-0.351862
+H	 0.3218043474	-2.3306074739	 0.8540606103	 0.289345
+H	-0.8231818567	-1.4894442991	-1.2300894382	 0.094174
+H	-3.0872134438	-1.6597272165	-0.650646083	 0.106149
+H	-2.7685324268	-1.4680480748	 1.0717508542	 0.118761
+H	-3.8614235891	 0.6026193467	-0.0889967546	 0.072455
+H	-2.3440510054	 2.2037811286	 1.1878270161	 0.110659
+H	-1.8408252561	 0.7137099719	 2.0314139325	 0.112712
+H	-0.0514693215	 1.9693808191	 0.0627681255	 0.087369
+H	-2.2111521545	 2.090997844	-1.3294795531	 0.109398
+H	-1.6263193501	 0.5516448213	-2.0023111185	 0.104816
+19
+0 4123	2.9778358	1.5082104	1.2071266	2.7047	75.46	-0.24534	0.00072	0.24606	1062.3187	0.158957	-422.545585	-422.537969	-422.537024	-422.577338	30.509
+O	-0.7648666976	 1.6683711008	 3.7279925916	-0.435603
+C	-0.7352992916	 1.3767552972	 2.3327985295	 0.09124
+C	 0.5103561185	 2.0290926969	 1.6855589369	-0.254527
+C	 0.6847894888	 1.7058222142	 0.1920884807	 0.096523
+C	 1.3349479955	 0.3425821086	-0.1281579998	-0.26211
+C	-0.1359773798	-0.1260742111	-0.2781927377	 0.047213
+O	-0.5667129639	 1.2571667393	-0.3983481786	-0.283715
+C	-0.6816188033	-0.7756896323	 0.9631202343	-0.059402
+C	-0.9113135153	-0.111537262	 2.0963309587	-0.100261
+H	 0.0007894493	 1.2440680531	 4.1310013371	 0.273926
+H	-1.6181537266	 1.8852438166	 1.931136638	 0.125691
+H	 0.419116269	 3.1090313879	 1.8390984452	 0.111991
+H	 1.4091841298	 1.7108447406	 2.2307070663	 0.089197
+H	 1.0839062669	 2.5677947905	-0.3513110497	 0.080673
+H	 1.8768750549	 0.3506917059	-1.0759364263	 0.108568
+H	 1.9347550987	-0.1356454893	 0.64720698	 0.102241
+H	-0.3855299131	-0.6978414521	-1.1772339194	 0.080757
+H	-0.8655341598	-1.8464358065	 0.9184283797	 0.089591
+H	-1.3144179406	-0.6404300482	 2.9571765134	 0.098007
+19
+0 4124	3.06937	1.1792617	0.9340443	2.2355	75.88	-0.24171	-0.03118	0.21053	1273.9781	0.155385	-422.531139	-422.522369	-422.521425	-422.565492	31.733
+C	 1.4296394644	 1.2414233945	-0.3005287197	-0.413276
+C	 1.1184238525	-0.1957335614	 0.0977453015	 0.019677
+C	 1.4011201462	-1.2712812347	-1.0057108428	-0.256881
+C	 2.4164690273	-1.9597273226	-0.0720980005	 0.12272
+O	 1.8155688771	-2.9794990127	 0.7665810652	-0.314512
+C	 1.6529683633	-2.0426643178	 1.8554203037	 0.033836
+C	 2.5036273208	-2.4584101115	 3.041017445	 0.124984
+O	 2.9969226692	-1.6864577982	 3.8215790873	-0.241887
+C	 2.1819146601	-0.87133981	 1.0156548741	-0.090904
+H	 1.3457851036	 1.9181446778	 0.556662277	 0.120821
+H	 2.447540526	 1.330935241	-0.6975405475	 0.115595
+H	 0.739245669	 1.5908120283	-1.0758916401	 0.118553
+H	 0.1068329627	-0.249767462	 0.5138903504	 0.074777
+H	 0.566515755	-1.9083501758	-1.3058382351	 0.112176
+H	 1.8624089671	-0.8431229807	-1.9011720368	 0.102725
+H	 3.3820604841	-2.2801484302	-0.4705610467	 0.083079
+H	 0.6058925312	-1.9663443421	 2.1903620641	 0.103054
+H	 2.6402270711	-3.5605445501	 3.1213491338	 0.092156
+H	 2.9497394793	-0.2473393117	 1.4708716973	 0.093306
+19
+0 4125	3.1769989	1.1675688	0.9555087	1.2841	76.34	-0.24659	-0.02511	0.22148	1256.6519	0.155716	-422.535951	-422.527309	-422.526364	-422.569797	31.567
+C	 1.4623717166	 1.1561842913	-0.4662278432	-0.406147
+C	 1.3058232989	-0.2830872648	-0.0156369777	 0.142407
+O	 2.0730819096	-1.1955569859	-0.8555195581	-0.312833
+C	 2.9364607692	-1.5591436299	 0.2364046857	 0.13049
+C	 2.5055492168	-2.8657380559	 0.941077689	-0.269681
+C	 1.6007409295	-2.0071552192	 1.9046326409	-0.102476
+C	 1.9595753652	-2.1865447006	 3.3535388376	 0.133528
+O	 2.4951110085	-1.357197803	 4.0452832871	-0.244581
+C	 2.1030114244	-0.7068838698	 1.2325159613	-0.099159
+H	 0.8897646969	 1.8253057701	 0.1855219929	 0.117381
+H	 2.5131932432	 1.4610484287	-0.4415236651	 0.122177
+H	 1.095081277	 1.273354006	-1.4904099851	 0.127672
+H	 0.2437271319	-0.5660391788	-0.0044616398	 0.073799
+H	 3.9944091544	-1.423132299	-0.0018879227	 0.08195
+H	 1.9896212707	-3.5805491114	 0.2980917145	 0.12094
+H	 3.3254877696	-3.3712186644	 1.4608805405	 0.111944
+H	 0.5286974902	-2.209781206	 1.7914016585	 0.095944
+H	 1.7099077538	-3.1946698974	 3.7598278253	 0.078396
+H	 2.4997252337	 0.0604729699	 1.8941056383	 0.098249
+19
+0 4126	3.1925437	1.1647464	0.9691209	1.971	76.08	-0.25154	-0.02255	0.22898999999999997	1229.3631	0.156367	-422.53899	-422.53039	-422.529446	-422.572901	31.82
+O	-0.4296330447	 1.7835994734	-3.0085399157	-0.429183
+C	 0.9254169495	 1.473459983	-3.2093660067	 0.149313
+C	 1.9785351159	 2.6179424094	-3.302995047	-0.289611
+C	 2.9042687844	 1.8500734742	-2.3159147026	-0.009242
+C	 2.7948681449	 2.3203300734	-0.8472779491	-0.252753
+C	 1.5542037953	 1.4117087228	-0.6469443713	-0.093336
+C	 1.650444313	 0.3762645313	 0.4417857036	 0.135793
+O	 2.5735611004	 0.2549456437	 1.2067398848	-0.242103
+C	 1.752068189	 0.8036262162	-2.0776942399	-0.077133
+H	-0.4867028497	 2.5003306351	-2.3685448211	 0.282706
+H	 0.9495078521	 0.8420229337	-4.1025667596	 0.096378
+H	 2.378729364	 2.7929577907	-4.3039250432	 0.110828
+H	 1.6224721427	 3.5777042887	-2.9106366955	 0.092275
+H	 3.8875811246	 1.5688255142	-2.6910498957	 0.074387
+H	 3.6175608091	 1.9777770957	-0.2155941783	 0.130414
+H	 2.6525589107	 3.3933805218	-0.6919427698	 0.096863
+H	 0.583958691	 1.9128197272	-0.5341964882	 0.07096
+H	 0.7842483786	-0.3243469937	 0.474958416	 0.080693
+H	 1.8828978292	-0.279219431	-2.1236597906	 0.072753
+19
+0 4127	2.3783512	1.7013996	1.3204176	2.7571	74.91	-0.23516	-0.00856	0.2266	1032.5645	0.156876	-422.573605	-422.565062	-422.564118	-422.606279	32.74
+C	-0.6661330493	 2.4804162986	 0.3848435286	-0.505092
+C	-0.9642920282	 1.0470012747	 0.0320123401	 0.17734
+C	-1.7292968282	 0.0357648438	 0.9675740634	-0.300527
+C	-1.0654916452	-1.0712312222	 0.0883663566	-0.139619
+C	-1.7243045529	-0.808582276	-1.2846770845	-0.270273
+C	-1.6450296368	 0.7572833254	-1.3359493996	 0.115383
+O	-2.8817025968	 1.4136663523	-1.5252138997	-0.436255
+C	 0.1025807951	-0.069785636	 0.0244177617	 0.405249
+O	 1.2945693079	-0.1109486892	 0.10211333	-0.326444
+H	-0.2622749354	 2.569799542	 1.397568341	 0.121867
+H	 0.0747206744	 2.895941736	-0.3066930872	 0.132347
+H	-1.5696433945	 3.0934890244	 0.3124420244	 0.127469
+H	-1.3668017681	 0.0562989523	 1.9967485125	 0.120989
+H	-2.8233413201	 0.0725995659	 0.9580236146	 0.089959
+H	-0.9442000901	-2.0992079903	 0.4228514655	 0.086548
+H	-1.1986148896	-1.2889588753	-2.1136477412	 0.118279
+H	-2.7676786078	-1.1400293474	-1.3084514624	 0.104729
+H	-1.0188758165	 1.1102839261	-2.1600104455	 0.099874
+H	-3.4954156978	 1.1133641548	-0.8464406184	 0.278178
+19
+0 4128	2.4556484	1.6894938	1.3139798	2.0828	74.78	-0.23384	-0.00746	0.22638	1036.7795	0.157019	-422.573712	-422.565214	-422.564269	-422.606317	32.668
+C	-3.0605266733	 1.3525390199	-1.5691692759	-0.421245
+C	-1.6921926137	 0.7171217276	-1.3357144497	 0.005296
+C	-1.6766134334	-0.8530361772	-1.2673032299	-0.24478
+C	-1.0068794248	-1.0765263892	 0.1101404637	-0.150698
+C	-1.7661870412	-0.0328815474	 0.9918790739	-0.309679
+C	-1.0627545778	 1.0267322865	 0.0431456215	 0.303846
+O	-0.8907901629	 2.3634326703	 0.3392941921	-0.490995
+C	 0.0826056315	 0.0072931123	 0.0949874978	 0.366845
+O	 1.2586776743	 0.0888566073	 0.3091491777	-0.340478
+H	-3.7914890306	 1.0413464205	-0.8159577987	 0.115392
+H	-2.9888636914	 2.4436397349	-1.5385605925	 0.135064
+H	-3.4537550433	 1.0638187375	-2.5498039728	 0.11534
+H	-1.0090664403	 1.0738178697	-2.1143719962	 0.085803
+H	-2.6894801986	-1.2673325907	-1.2823788894	 0.107106
+H	-1.1137921787	-1.3058611205	-2.0874265767	 0.111696
+H	-0.8116257813	-2.0922647172	 0.44358557	 0.089002
+H	-2.8561363911	-0.0720647043	 0.9599301444	 0.113015
+H	-1.4063771257	 0.0177376503	 2.0210779242	 0.114754
+H	-0.0836502977	 2.4506778998	 0.8609645566	 0.294716
+19
+0 4129	2.4741151	1.6898558	1.3165775	2.5118	74.99	-0.24308	-0.00982	0.23326	1043.5922	0.156122	-422.563174	-422.554569	-422.553625	-422.596001	32.6
+C	-3.3878076463	 1.2855776533	 1.0979284315	-0.419285
+C	-1.9705738458	 0.740074454	 1.2593312214	-0.010321
+C	-1.9008749307	-0.8298282493	 1.2792401336	-0.253865
+C	-0.9853669378	-1.0390154948	 0.0624755506	-0.041188
+O	-1.5137663178	-0.0721545812	-0.903771167	-0.329389
+C	-1.059702473	 0.9871746407	 0.0244228379	 0.277558
+C	-0.8959956208	 2.3525116207	-0.5725125461	-0.507908
+C	 0.1169632046	 0.0152665275	 0.2835656253	 0.412741
+O	 1.3038899529	 0.07172182	 0.3687741303	-0.321136
+H	-4.026087736	 0.9438908351	 1.9193799031	 0.118084
+H	-3.4049173444	 2.3801638263	 1.0980813204	 0.116905
+H	-3.8278659534	 0.9333743058	 0.1598942666	 0.13275
+H	-1.5067170073	 1.1670149007	 2.1555762073	 0.08333
+H	-1.4806997312	-1.2376529698	 2.2026924601	 0.113407
+H	-2.8825150613	-1.2813335969	 1.1125396508	 0.114362
+H	-0.8157810271	-2.0350820653	-0.3408884996	 0.101236
+H	-0.4782936434	 3.0337159302	 0.1755278226	 0.135401
+H	-0.2148114995	 2.3209554695	-1.4264316415	 0.141633
+H	-1.8557948617	 2.7577070537	-0.9056950075	 0.135684
+19
+0 4130	2.4226603	1.7098149	1.326193	2.7936	75.27	-0.22488	-0.01618	0.2087	1038.9385	0.156025	-422.557155	-422.548557	-422.547612	-422.589889	32.673
+C	-2.7379184317	 1.1515049665	-1.921245219	-0.417398
+C	-1.4102716504	 0.5925619267	-1.4394715229	 0.120604
+O	-1.4943702034	-0.8555494413	-1.2741834764	-0.297006
+C	-1.0250857338	-1.059475391	 0.0649427143	-0.020598
+C	-1.7684884267	 0.0404063317	 0.8703430147	-0.30173
+C	-0.9196706321	 1.016426591	-0.0304832871	 0.137801
+C	-0.6727823708	 2.4729598867	 0.2634085284	-0.505845
+C	 0.166969874	-0.0784158584	 0.1471555948	 0.413671
+O	 1.3317544165	-0.0978721132	 0.405205624	-0.31972
+H	-3.5261167468	 1.0428297017	-1.1714581158	 0.120181
+H	-2.6383248259	 2.2123013934	-2.1732813088	 0.120058
+H	-3.052375529	 0.6160392526	-2.822073659	 0.135152
+H	-0.6348876618	 0.8136898283	-2.1868332532	 0.086981
+H	-1.0037238304	-2.1162316687	 0.3167859687	 0.100288
+H	-2.8520818832	 0.058676377	 0.7457965111	 0.118098
+H	-1.4885601353	 0.0848699664	 1.9251299861	 0.119812
+H	-0.248028076	 2.6025097399	 1.2632463442	 0.131965
+H	 0.0380221438	 2.8957820822	-0.4547985555	 0.132216
+H	-1.596011287	 3.0586006686	 0.2072573014	 0.12547
+19
+0 4131	2.2125707	2.0055843	1.5889238	1.7943	74.37	-0.23978	0.01566	0.25544	953.0527	0.15748	-422.570412	-422.562413	-422.561469	-422.602258	31.872
+C	 0.9605338172	 0.3683607816	-3.3443482521	-0.501281
+C	 0.0442830584	 0.385092291	-2.1459091549	 0.341257
+O	-0.9775264075	 1.390754387	-2.2533234919	-0.282064
+C	-1.672948023	 1.0609992398	-1.0425263364	 0.008311
+C	-0.5483984287	 1.2947003026	 0.0187295394	-0.263267
+C	 0.6969798474	 0.8188012027	-0.7871942179	 0.098987
+O	 1.4152555933	-0.2694634411	-0.2342498717	-0.440585
+C	-1.8510676029	-0.4447841701	-1.1767623708	-0.085455
+C	-0.7776139672	-0.8675232358	-1.8416011903	-0.095299
+H	 1.7763101442	-0.3404467876	-3.1745977187	 0.131702
+H	 0.4189285012	 0.0717374653	-4.2466280812	 0.12593
+H	 1.3921874226	 1.3601322303	-3.5093640489	 0.122455
+H	-2.5686099868	 1.6714003057	-0.9325456396	 0.076678
+H	-0.4801252132	 2.3539433919	 0.2793589499	 0.099593
+H	-0.6881511372	 0.7101296237	 0.9311200336	 0.099111
+H	 1.3693539537	 1.6642456544	-0.9851956487	 0.069711
+H	 1.8805397223	 0.0412931691	 0.5477142423	 0.285667
+H	-2.6334582412	-1.0281187416	-0.7101862006	 0.101408
+H	-0.4653364526	-1.8795439989	-2.0567856413	 0.107141
+19
+0 4132	2.2292171	2.0030432	1.5755705	2.1965	74.52	-0.23676	0.00188	0.23864	951.3707	0.157581	-422.566789	-422.558943	-422.557999	-422.59837	31.791
+C	 0.3732596903	-0.516982703	-0.2114731887	-0.418778
+C	 0.9211296324	 0.7917472965	 0.3307530428	 0.151146
+O	 2.3338533453	 0.9023656824	 0.0995489642	-0.300758
+C	 2.9353240481	 1.2404918434	 1.3874205657	 0.056901
+C	 1.8657687277	 2.1480012107	 2.0079565689	-0.286687
+C	 0.7966968024	 1.0222722932	 1.8740111536	 0.336152
+O	-0.5331128518	 1.2756246177	 2.2275846769	-0.504107
+C	 1.524557597	-0.1281744113	 2.5541943085	-0.162778
+C	 2.8249332462	 0.0050913021	 2.2716422906	-0.077193
+H	 0.863983018	-1.3742544417	 0.2562109051	 0.118249
+H	-0.7043047666	-0.5759237947	-0.0277883631	 0.123372
+H	 0.5427330186	-0.5756397846	-1.2904760391	 0.12123
+H	 0.4097116936	 1.6331147777	-0.1587010968	 0.078974
+H	 3.9287060328	 1.6419291701	 1.1967252591	 0.077106
+H	 2.066035466	 2.4213132671	 3.045736306	 0.093945
+H	 1.6454600624	 3.0333748447	 1.4059784499	 0.104942
+H	-0.5741692446	 1.4020530028	 3.1809655232	 0.280373
+H	 1.023357123	-0.9474146095	 3.0552421802	 0.103496
+H	 3.6306218392	-0.6833590435	 2.491657403	 0.104417
+19
+0 4133	2.1745875	2.0831562	1.5950635	1.8164	74.08	-0.24109	0.00099	0.24208	955.1181	0.15686	-422.565784	-422.557827	-422.556883	-422.597583	31.635
+C	 0.4428761841	-0.5613269409	-0.3051662604	-0.415672
+C	 0.9034903361	 0.7164215301	 0.3744284035	 0.130436
+O	 2.2987112612	 0.9587645555	 0.1276483559	-0.298595
+C	 2.8389030038	 1.2316129125	 1.4434335098	 0.118527
+O	 1.7830030548	 1.8741439269	 2.1134208797	-0.259101
+C	 0.8397821256	 0.7845849071	 1.9490934647	 0.293689
+C	-0.4971133583	 1.089198669	 2.5731707657	-0.497725
+C	 1.6556558529	-0.3983386239	 2.4625405949	-0.139127
+C	 2.9228228867	-0.1141821727	 2.1598861795	-0.081332
+H	 1.0053467743	-1.4252948052	 0.0566587703	 0.124163
+H	-0.6252435193	-0.7306066088	-0.1291261555	 0.111551
+H	 0.5962994775	-0.4846026674	-1.3853531319	 0.129582
+H	 0.332865358	 1.5754477914	-0.0036003511	 0.080952
+H	 3.7228108913	 1.8597143092	 1.3535142746	 0.090771
+H	-0.3924879228	 1.2346514383	 3.651700082	 0.135442
+H	-0.9254001342	 1.9978608032	 2.1403372783	 0.131665
+H	-1.195389162	 0.2637023447	 2.4040273768	 0.124342
+H	 1.2397008422	-1.3104571276	 2.8681889755	 0.108227
+H	 3.8071175282	-0.7291643013	 2.2515484778	 0.112205
+19
+0 4134	2.2729162	1.931328	1.5578173	2.217	74.19	-0.23469	0.0217	0.25639	951.6459	0.158381	-422.577534	-422.569753	-422.568809	-422.609052	31.844
+O	 0.3925185183	 0.1756079193	 0.3800887044	-0.450982
+C	-0.529841437	 0.9322085875	 1.1515937498	 0.083639
+C	-1.5678222759	 0.1222768924	 1.9823450563	-0.255191
+C	-2.9352748204	 0.6424863915	 1.4105544214	-0.068977
+C	-2.580086849	 2.1245313047	 1.1252228623	-0.253105
+C	-1.4227934406	 1.757594545	 0.1776372755	 0.390077
+O	-0.7613719692	 2.8350556208	-0.4290785205	-0.518372
+C	-2.1190348039	 0.7538629458	-0.740500307	-0.120754
+C	-3.0295414947	 0.1069773032	-0.0106320203	-0.08413
+H	 1.0283408022	-0.2301927554	 0.976650113	 0.285066
+H	 0.0130860881	 1.6437182065	 1.7895253885	 0.069873
+H	-1.440227333	-0.9527046714	 1.8324297974	 0.100199
+H	-1.4781152656	 0.3348202223	 3.0523163044	 0.092783
+H	-3.7930921755	 0.4520616643	 2.0556405341	 0.062106
+H	-3.3758195555	 2.6697714584	 0.6141944182	 0.105676
+H	-2.2522278464	 2.6813851714	 2.0095088161	 0.090654
+H	 0.0564982142	 2.4839687059	-0.8004160871	 0.282299
+H	-1.8264040444	 0.5761348415	-1.7670526817	 0.095768
+H	-3.6458903516	-0.7309068637	-0.3128540047	 0.09337
+19
+0 4135	2.4917484	1.686147	1.2597263	2.554	74.92	-0.2552	-0.03877	0.21642999999999998	1048.5876	0.156579	-422.553881	-422.545573	-422.544629	-422.5868	31.459
+C	 1.046636736	-0.2796842912	-1.0589900989	-0.425935
+C	 0.978451581	 0.1419945291	 0.4062005548	-0.003518
+C	 1.5052468062	 1.5916384798	 0.6884221286	-0.239632
+C	 2.6369951111	 1.2194071429	 1.6649973463	 0.074046
+C	 1.9709786345	 0.2247077487	 2.6380325468	-0.271605
+C	 2.0034624547	-0.5926073232	 1.3132519422	 0.322798
+O	 3.2626327431	 0.0763848666	 0.9912850754	-0.333117
+C	 2.0723696054	-2.0886196738	 1.3464835536	 0.056263
+O	 1.1064504872	-2.8030768289	 1.2454915467	-0.257046
+H	 0.7025162007	-1.3098359349	-1.1895739432	 0.132154
+H	 0.41682451	 0.3671801204	-1.6779474799	 0.113472
+H	 2.0742774943	-0.2046883351	-1.4283918311	 0.127377
+H	-0.0345150694	-0.0043991458	 0.7907271797	 0.087163
+H	 1.8993302734	 2.0667000256	-0.2131722719	 0.110929
+H	 0.7574598757	 2.2528835847	 1.1341185249	 0.102245
+H	 3.3437933106	 1.9849445146	 1.9842034464	 0.085023
+H	 2.6723708037	-0.1645118729	 3.3768440703	 0.116759
+H	 1.0011224779	 0.4622920322	 3.0806205459	 0.108703
+H	 3.0957700038	-2.4935087689	 1.5074794934	 0.093921
+19
+0 4136	2.5302205	1.6727685	1.2445115	2.4668	75.52	-0.24709	-0.03477	0.21232	1047.4668	0.156966	-422.552154	-422.544013	-422.543069	-422.584734	31.244
+C	 0.0105037752	 0.0326960617	 0.0581499801	-0.425414
+C	 1.5245309262	 0.1400539154	 0.0860942353	 0.122285
+O	 2.1234923834	-0.5008843029	-1.076849774	-0.298586
+C	 3.0661547082	-1.3992320944	-0.4831525645	 0.109899
+C	 2.2628796971	-2.0836345945	 0.6495693421	-0.285602
+C	 2.2790546197	-0.611845729	 1.2018894788	 0.18188
+C	 3.7421228185	-0.5501023845	 0.6198940212	-0.280346
+C	 2.0179012446	-0.2917610594	 2.6342445686	 0.05208
+O	 1.2479950814	 0.5512521048	 3.0264819322	-0.250966
+H	-0.4118751747	 0.5826685074	 0.9029405417	 0.142461
+H	-0.3706545186	 0.4650633411	-0.8715218184	 0.126615
+H	-0.3284191617	-1.005798477	 0.1085539539	 0.113897
+H	 1.8095339083	 1.1995642035	 0.086888027	 0.086126
+H	 3.6075998032	-1.9363006406	-1.2600955071	 0.086196
+H	 1.299559833	-2.5266802578	 0.394056086	 0.114242
+H	 2.8587458299	-2.7636538444	 1.2606504939	 0.108155
+H	 4.1275633382	 0.4321568689	 0.3381031493	 0.113928
+H	 4.4632430361	-1.1019580414	 1.2252015936	 0.107977
+H	 2.6154035019	-0.8981498969	 3.3540649702	 0.075173
+19
+0 4137	2.6306142	1.6740793	1.2615833	2.8803	75.44	-0.2547	-0.03834	0.21636	1031.0362	0.158287	-422.567833	-422.560016	-422.559071	-422.600007	30.692
+O	-1.2291661626	 2.4899218174	 0.9962214751	-0.451673
+C	-1.1310117756	 1.0854585362	 0.9074087312	 0.106565
+C	-2.3319433651	 0.4973622394	 0.1103336756	-0.23853
+C	-2.9471982885	-0.3995045891	 1.2038239462	-0.023595
+C	-2.9062201066	 0.5314754626	 2.448397365	-0.260453
+C	-1.3569317591	 0.3653535958	 2.2586671153	 0.229405
+C	-1.6867000038	-1.0893683822	 1.8052076998	-0.285256
+C	-0.4232576243	 0.6999772343	 3.3684828179	 0.037263
+O	 0.3052301232	 1.6690265969	 3.3650717046	-0.267757
+H	-0.5525152278	 2.7607618638	 1.6316151901	 0.291625
+H	-0.1633442409	 0.7903274431	 0.47661776	 0.068752
+H	-2.9989913353	 1.3020978378	-0.2078303657	 0.116995
+H	-2.0194927647	-0.067620665	-0.7718428405	 0.098924
+H	-3.8408215804	-0.9675850065	 0.9457069144	 0.067829
+H	-3.2939656476	 1.5476384269	 2.3588480207	 0.122038
+H	-3.2710030863	 0.0474517306	 3.3572184147	 0.101043
+H	-0.9838395295	-1.5760681267	 1.1219052577	 0.100385
+H	-1.917627796	-1.7501695256	 2.6445153063	 0.103746
+H	-0.4373686591	 0.0117762804	 4.2434144217	 0.082692
+19
+0 4138	3.1283425	1.658211	1.3658682	2.4435	74.42	-0.24969	0.0609	0.31059	995.2884	0.157935	-422.489048	-422.481772	-422.480828	-422.520268	29.536
+C	-0.0536064689	 0.0110151701	 0.1406657843	-0.409237
+C	 1.4521817147	 0.1455918869	-0.0649585228	-0.07544
+C	 2.0134096998	 1.6240954236	 0.129973504	-0.243501
+C	 2.9394278796	 1.392547603	 1.3729372776	 0.015532
+O	 2.1005657265	 0.5074609558	 2.1539937424	-0.324701
+C	 2.3363420948	-0.432992494	 1.0363933944	 0.361958
+C	 3.0392196605	-1.647062382	 1.6290222196	-0.18277
+O	 4.2474295172	-0.8401791866	 1.7810012027	-0.29596
+C	 3.7351462539	 0.172119734	 0.8795173016	 0.103563
+H	-0.3291147772	 0.354427631	 1.1413618183	 0.135519
+H	-0.6031139654	 0.6109773126	-0.5920521819	 0.113505
+H	-0.3787041453	-1.029107953	 0.0303442171	 0.113038
+H	 1.7410464117	-0.2519159853	-1.0431623235	 0.077323
+H	 2.5434358831	 1.9975289462	-0.7511687377	 0.102442
+H	 1.2168524249	 2.326732495	 0.383805177	 0.11486
+H	 3.3216339141	 2.2633062369	 1.9084675022	 0.084631
+H	 2.6569328589	-2.0099706431	 2.5863115732	 0.124975
+H	 3.2034299247	-2.4789068946	 0.9322064075	 0.104745
+H	 4.3038967026	 0.2294467434	-0.0522712758	 0.07952
+19
+0 4139	3.1612236	1.6223245	1.3644291	1.7366	74.61	-0.24175	0.05822	0.29997	994.9345	0.158123	-422.481409	-422.474167	-422.473222	-422.512567	29.55
+C	 0.3131369339	 0.2822563682	 0.4089787026	-0.413471
+C	 0.9464388767	-0.5801913815	-0.6686961875	 0.056254
+O	 2.420711744	-0.4403689046	-0.6549122853	-0.315456
+C	 2.9287909283	-1.8001026621	-0.4790456539	 0.051639
+C	 1.997232485	-2.3634493485	 0.5874586386	-0.270707
+C	 0.9352106479	-2.0935144852	-0.5540147021	 0.211427
+C	 0.2501350117	-3.3718442405	-1.0333014186	-0.19133
+O	 1.5412268608	-3.8504318321	-1.5316454598	-0.303827
+C	 2.0515626641	-2.4860797019	-1.5521727636	 0.114548
+H	 0.5938886693	-0.0420348487	 1.4136400184	 0.120982
+H	 0.6294197271	 1.3222836497	 0.2872162262	 0.1309
+H	-0.7785167657	 0.2464791386	 0.323837444	 0.115547
+H	 0.5885042523	-0.2554270453	-1.6531930359	 0.082241
+H	 4.0166427001	-1.751426716	-0.4336362884	 0.07876
+H	 2.1259086731	-3.4285285666	 0.7697949721	 0.122946
+H	 1.9135590465	-1.8035219866	 1.5188130775	 0.101651
+H	-0.1716863528	-4.0423574756	-0.2785442501	 0.113386
+H	-0.4608093763	-3.2361267282	-1.8586433549	 0.109064
+H	 2.1103887939	-2.0860938333	-2.5684147093	 0.085446
+19
+0 4140	3.0076758	1.696919	1.3875925	0.9866	74.55	-0.24555	0.05864	0.30418999999999996	986.9183	0.158022	-422.478942	-422.471693	-422.470749	-422.51009	29.72
+C	-0.0400951462	 0.0742385278	-0.1448164855	-0.418349
+C	 1.4711452312	 0.0144688231	-0.0177055429	 0.075207
+O	 2.0398447945	 1.3495436465	 0.2410960372	-0.313777
+C	 2.8171431318	 1.2005758173	 1.482135051	 0.064151
+C	 1.8423228573	 0.4107298521	 2.3501623523	-0.301952
+C	 2.1234261998	-0.6340170296	 1.1962568175	 0.404719
+O	 2.4902353761	-1.9519154298	 1.5761444739	-0.351241
+C	 3.8059906133	-1.4097551725	 1.9603460633	-0.158022
+C	 3.5694437265	-0.1046744283	 1.1369275285	-0.085857
+H	-0.5184221008	 0.3963504949	 0.782949957	 0.121482
+H	-0.3209576139	 0.7775692684	-0.9341541404	 0.129672
+H	-0.4304032062	-0.9132431139	-0.413617699	 0.12327
+H	 1.9064483549	-0.3759310021	-0.9454445194	 0.083459
+H	 3.2526631435	 2.1695164922	 1.7214735359	 0.080692
+H	 2.240785281	 0.080147631	 3.3079890443	 0.109783
+H	 0.8401437867	 0.8211987868	 2.466557858	 0.105415
+H	 3.9018673376	-1.3211514163	 3.0462124867	 0.116786
+H	 4.6059490569	-2.0420923612	 1.5687614245	 0.121323
+H	 4.0916715259	-0.1010647364	 0.1799292073	 0.093237
+19
+0 4141	3.0002716	1.6348838	1.3470734	1.0185	74.12	-0.2509	0.06125	0.31215000000000004	990.6127	0.158816	-422.497142	-422.489957	-422.489012	-422.528233	29.624
+O	 0.4291794401	-0.1125126323	 0.296068903	-0.436432
+C	-0.7985436324	 0.4122538872	 0.7544710479	 0.03622
+C	-2.0613399511	 0.0872764291	-0.1690923685	-0.257803
+C	-2.5840654256	 1.5198989895	-0.5264692894	-0.082768
+C	-1.2468951465	 2.2346404911	-0.7989321138	-0.275964
+C	-0.9947250092	 1.9191396393	 0.7270869533	 0.260209
+C	-0.8780114941	 3.1902549422	 1.5681164853	-0.204968
+O	-2.2773764047	 3.4914630694	 1.2569821283	-0.312944
+C	-2.5135953147	 2.0948210423	 0.907617921	 0.135902
+H	 0.6253042944	 0.2799746274	-0.5610993366	 0.277825
+H	-0.9249044516	-0.0030440699	 1.7575486089	 0.09402
+H	-1.7458432611	-0.462780755	-1.0602234422	 0.104378
+H	-2.8069442353	-0.5168622287	 0.3562020577	 0.106263
+H	-3.4455786806	 1.5720735151	-1.1950835934	 0.066164
+H	-0.5755914174	 1.7879848803	-1.5394202378	 0.07509
+H	-1.3461920028	 3.3027943594	-0.9814909127	 0.124079
+H	-0.7441323235	 3.0221699099	 2.6448287564	 0.107472
+H	-0.2030886002	 3.97972041	 1.2237755553	 0.110091
+H	-3.0853747036	 1.5912934238	 1.6953368774	 0.073166
+19
+0 4142	2.9140862	1.7090221	1.3775033	1.2341	74.07	-0.24046	0.05877	0.29923	979.6809	0.158951	-422.496869	-422.489742	-422.488797	-422.527877	29.605
+O	 0.6299585855	 0.1077144316	 0.9996761171	-0.433055
+C	-0.7368014462	 0.4701780597	 0.9204212223	 0.030039
+C	-1.3654554625	 0.4618827543	 2.374271524	-0.22659
+C	-1.8032321312	 1.959943634	 2.5500065042	-0.071546
+C	-0.5509697451	 2.6532106672	 1.9716327978	-0.293896
+C	-1.0574718648	 1.9354373125	 0.6691046749	 0.444632
+O	-1.2259205898	 2.7398659771	-0.4976224477	-0.367794
+C	-2.4295428174	 3.3007388097	 0.1370987796	-0.164012
+C	-2.4934497859	 2.1274831682	 1.1671472596	-0.077402
+H	 1.0083494643	 0.1845438905	 0.1176390382	 0.286154
+H	-1.2800702833	-0.1919026894	 0.2330659928	 0.071755
+H	-2.2052397755	-0.2333732885	 2.4511394545	 0.101653
+H	-0.5992957866	 0.1725478414	 3.0974687416	 0.118241
+H	-2.2434656807	 2.2238144167	 3.512452786	 0.064067
+H	-0.6235867434	 3.7377755958	 1.9037783372	 0.102825
+H	 0.4222602905	 2.3544585641	 2.3621018055	 0.108968
+H	-2.2491481873	 4.309120005	 0.5211803264	 0.113452
+H	-3.2613014645	 3.3198444513	-0.5710767385	 0.115697
+H	-3.2543716361	 1.3898020588	 0.9011536944	 0.076814
+19
+0 4143	3.07134	1.6944222	1.3788893	2.0967	74.43	-0.24059	0.07847	0.31906	980.8831	0.158818	-422.511015	-422.503911	-422.502967	-422.542037	29.575
+O	 0.2974620496	-0.0488058635	-0.0794332666	-0.439828
+C	-0.7299793967	 0.4010573104	 0.7718999599	 0.065055
+C	-2.1904872343	 0.0518705593	 0.2576745571	-0.267231
+C	-2.6788195282	 1.4939788542	-0.0669782055	 0.052641
+O	-1.4613276053	 2.0640799569	-0.6409334259	-0.357514
+C	-0.947635507	 1.9117269508	 0.7497258351	 0.403721
+C	-0.4128708918	 3.2569643429	 1.2251967823	-0.33898
+C	-1.9151366192	 3.7222372323	 1.3006290229	-0.251991
+C	-2.3763890216	 2.2214497384	 1.2490641169	-0.051711
+H	 0.1522891991	 0.4099247871	-0.9176642335	 0.282217
+H	-0.517474574	 0.0003630755	 1.7655186405	 0.08737
+H	-2.1326773566	-0.5721142921	-0.6368521541	 0.109234
+H	-2.8048272606	-0.4563253021	 1.0061827421	 0.10139
+H	-3.5683799245	 1.6176632082	-0.6882627381	 0.078616
+H	 0.0447818146	 3.1912005519	 2.2164652398	 0.111119
+H	 0.2583052772	 3.7855282842	 0.5456203515	 0.115365
+H	-2.1939163921	 4.2371945134	 2.2212635976	 0.103022
+H	-2.2284338616	 4.318766195	 0.4446248361	 0.122427
+H	-2.762641477	 1.8098780073	 2.1830753319	 0.075078
+19
+0 4144	2.5007676	1.4438083	1.1096316	3.7057	76.91	-0.23607	-0.0106	0.22547	1149.2263	0.155358	-422.553691	-422.544502	-422.543558	-422.587795	33.914
+C	 1.0008739318	-2.8975250973	-3.439571271	-0.500377
+C	 1.4021606524	-1.8470992288	-2.418827915	 0.274206
+O	 1.6686551107	-0.7066010227	-2.741629628	-0.326268
+C	 1.4564132672	-2.2824410548	-1.0018657947	 0.280408
+C	 1.2053575686	-1.2717100528	 0.1045103475	-0.311803
+C	 2.5423134778	-1.9076939323	 0.050268895	-0.087799
+C	 2.4812823248	-3.3202454212	 0.6367383695	-0.272477
+C	 1.4104189011	-3.7013554872	-0.4484538046	 0.009959
+O	 0.1209092314	-4.0938950202	-0.0299503867	-0.43456
+H	 0.8277976574	-2.4198728988	-4.4044472997	 0.139704
+H	 1.798561755	-3.6420342821	-3.5489213656	 0.137561
+H	 0.1045626425	-3.4337059585	-3.1105109551	 0.147656
+H	 1.1487010997	-0.2552802527	-0.2676300665	 0.14284
+H	 0.5019146341	-1.5341979919	 0.8888870531	 0.125348
+H	 3.4412517734	-1.3447875536	-0.1655129046	 0.109984
+H	 3.4067285917	-3.8908697847	 0.5357161955	 0.104927
+H	 2.1308938121	-3.378161346	 1.672008172	 0.10356
+H	 1.8277205067	-4.4243054717	-1.1619806892	 0.071436
+H	 0.1755431616	-4.9855759828	 0.3291799882	 0.285694
+19
+0 4145	2.466637	1.5921865	1.0717922	2.1406	76.62	-0.24693	-0.02792	0.21901	1153.3103	0.154411	-422.542689	-422.533425	-422.532481	-422.576947	33.789
+C	 2.7499215781	 0.2191991888	-1.4738367717	-0.399458
+C	 1.739858777	 0.5278764228	-0.3754051085	-0.06023
+C	 2.1955130718	 1.6529363902	 0.6264511047	-0.259503
+C	 2.1211961509	 0.6296775619	 1.7617653489	-0.039549
+O	 0.8007502465	 0.1145614909	 1.7979851752	-0.276473
+C	 1.6995002409	-0.4497173935	 0.8214425826	 0.328884
+C	 1.9512965253	-1.9156453246	 0.8815654651	 0.270802
+C	 1.6616710353	-2.6037600266	 2.1999884425	-0.4826
+O	 2.3582719008	-2.5119953063	-0.093222557	-0.306178
+H	 2.4600198321	-0.6672379645	-2.040437056	 0.14284
+H	 2.8262375168	 1.0698983565	-2.1597266603	 0.110443
+H	 3.7453571277	 0.0308365895	-1.0581815716	 0.114966
+H	 0.7435138145	 0.6868380272	-0.7974436668	 0.086934
+H	 3.2146109397	 1.9899537981	 0.4213384569	 0.111524
+H	 1.5387795709	 2.5174774737	 0.7474743342	 0.114824
+H	 2.7038587613	 0.5678356095	 2.6750894036	 0.110292
+H	 2.1119563734	-2.0666232532	 3.0402229053	 0.13691
+H	 0.5816043907	-2.6121869393	 2.3795436021	 0.156852
+H	 2.0375582763	-3.6266520211	 2.1589397607	 0.13872
+19
+0 4146	2.5778129	1.3950232	1.0995823	2.1392	76.61	-0.24258	-0.0188	0.22377999999999998	1165.2172	0.154468	-422.539414	-422.530188	-422.529244	-422.57356	33.816
+C	 2.5572287285	-0.6504065723	-1.3887696912	-0.409981
+C	 1.7960461015	-0.1035409745	-0.1994177365	 0.076858
+O	 1.9187152565	 1.3450863972	-0.0417766383	-0.298043
+C	 2.282774315	 1.1959935377	 1.321994007	 0.082165
+C	 3.5602735162	 0.4731739746	 1.4829959788	-0.349522
+C	 2.2946104434	-0.3420269271	 1.2333560592	 0.141913
+C	 1.7943690114	-1.2955920503	 2.2509686186	 0.292912
+C	 0.7112112697	-2.2672889866	 1.8155127394	-0.498187
+O	 2.2219356935	-1.2867849768	 3.3882376659	-0.324036
+H	 2.3889364761	-1.728981145	-1.4793944583	 0.121992
+H	 2.2068002096	-0.1738903026	-2.3095136454	 0.133996
+H	 3.6314990806	-0.4723485721	-1.2968873755	 0.126367
+H	 0.729372552	-0.3463246974	-0.2853626241	 0.085251
+H	 1.8140098133	 1.8400596547	 2.0571370911	 0.122104
+H	 4.319733817	 0.548348895	 0.7113237463	 0.121097
+H	 3.9141660313	 0.3607210681	 2.5020870541	 0.150222
+H	 0.5035615237	-2.9630856999	 2.6288390731	 0.144415
+H	-0.2069491629	-1.7263040988	 1.5596613083	 0.144373
+H	 1.0172049836	-2.8205884138	 0.9205054574	 0.136104
+19
+0 4147	2.9866753	1.3326842	1.0763252	2.2537	75.57	-0.24785	0.06241	0.31026	1170.8924	0.155801	-422.494566	-422.486089	-422.485145	-422.527859	31.778
+C	 2.012956774	-0.4149252073	-1.3331031588	-0.413559
+C	 1.8654506171	 0.4246231932	-0.0699335363	-0.059727
+C	 3.0208575151	 1.4701811922	 0.1544816081	-0.2638
+C	 3.3867438436	 0.7295247905	 1.4445534527	-0.039969
+O	 2.2167187801	 0.7352165194	 2.276138444	-0.294879
+C	 2.3073726948	-0.2570351086	 1.2501716325	 0.441314
+C	 2.2045124049	-1.6840289404	 1.647966829	-0.079431
+C	 1.5981473395	-2.084738005	 2.9269954474	-0.17341
+O	 3.015648778	-2.092412143	 2.7486690961	-0.229533
+H	 1.2643658482	-1.2134034913	-1.3768042567	 0.118686
+H	 1.8868054529	 0.2068621608	-2.2253173312	 0.122676
+H	 3.0041316666	-0.8797384576	-1.3905323968	 0.118297
+H	 0.8584181577	 0.8462874766	-0.0001148185	 0.081816
+H	 3.7918877286	 1.3970273709	-0.6173910006	 0.105347
+H	 2.7303991556	 2.5153078139	 0.2844695885	 0.11095
+H	 4.3421445404	 0.6285656388	 1.9456074858	 0.114029
+H	 2.1803165155	-2.3894389989	 0.8172201977	 0.094667
+H	 1.2226683458	-1.3072199973	 3.5877181868	 0.133192
+H	 1.1324464216	-3.0648444071	 3.0201678304	 0.113333
+19
+0 4148	2.6695566	1.3780359	1.1560505	2.4392	75.32	-0.23357	0.07015	0.30372	1136.3106	0.155734	-422.489278	-422.480758	-422.479814	-422.522656	31.928
+C	 0.2395661142	-0.5346666346	-0.2805867878	-0.413007
+C	 0.9856205928	 0.5600082044	 0.4528996246	 0.086465
+O	 2.3092544903	 0.8336495505	-0.1064460112	-0.306704
+C	 2.8971529235	 0.7336728072	 1.1873302919	 0.05949
+C	 2.7547586859	-0.6456356964	 1.7429644592	-0.372293
+C	 1.5921603295	 0.3280486786	 1.8449031429	 0.273874
+C	 0.9792079006	 0.7336818851	 3.1293547025	-0.043643
+C	-0.4680792515	 0.6600448518	 3.3817128899	-0.18823
+O	 0.1649325986	 1.9137865783	 3.1201541244	-0.235469
+H	-0.7594929961	-0.6689504885	 0.1479497869	 0.118711
+H	 0.1196040453	-0.2617752635	-1.3338424834	 0.132636
+H	 0.770494762	-1.4891011652	-0.2341133585	 0.120808
+H	 0.4084235021	 1.492003679	 0.4584418375	 0.100947
+H	 3.6580621413	 1.4546463698	 1.4630369218	 0.109685
+H	 2.7178833323	-1.5004271202	 1.0743008387	 0.117865
+H	 3.2659054461	-0.8236453143	 2.6850692938	 0.116773
+H	 1.6411628913	 0.6613555192	 3.994154882	 0.090781
+H	-1.133580586	 0.3005738328	 2.5979196605	 0.114186
+H	-0.8349951623	 0.5208553862	 4.3978952043	 0.117125
+19
+0 4149	2.5919073	1.4185189	1.1777116	2.5389	75.46	-0.25368	0.06533	0.31901	1118.7933	0.156664	-422.505095	-422.496656	-422.495712	-422.538224	32.027
+O	-2.6614352193	-0.6573872029	-0.6357440187	-0.437089
+C	-1.5993924013	-1.0943691291	 0.1798560535	 0.058438
+C	-1.8767409704	-1.888240118	 1.5039284008	-0.278501
+C	-0.9833366792	-0.8928681365	 2.2507695233	-0.099263
+C	-1.5659163079	 0.4823465161	 2.1323685863	-0.355571
+C	-0.7809756208	-0.0656065873	 0.9659327742	 0.358708
+C	 0.4203231845	 0.6174603903	 0.4304403143	-0.057435
+C	 0.5075426669	 1.0060965966	-0.9854295895	-0.189534
+O	 1.2236141633	-0.1296290739	-0.4916659828	-0.238679
+H	-3.2123541015	-0.0608702531	-0.1176136615	 0.278451
+H	-0.9382336723	-1.6630335709	-0.4770270722	 0.115212
+H	-2.9233006185	-1.9089619787	 1.8274517343	 0.094316
+H	-1.4988553894	-2.9117056098	 1.4715843148	 0.111281
+H	-0.2440661904	-1.1430125357	 3.0012112504	 0.095926
+H	-2.6451248599	 0.6218701721	 2.0775312381	 0.095876
+H	-1.0596022449	 1.2656352976	 2.6887994703	 0.118267
+H	 0.9977609231	 1.1945045443	 1.1552294988	 0.086103
+H	-0.3298015396	 0.7792172862	-1.6433255018	 0.130469
+H	 1.1229234274	 1.8554453924	-1.2790311428	 0.113022
+19
+0 4150	2.9538595	1.3610357	1.0775934	1.7063	75.88	-0.24113	0.06813	0.30926	1161.6704	0.156081	-422.504026	-422.495474	-422.49453	-422.537301	32.432
+O	 0.6077571272	-0.3065654113	 3.5449890059	-0.435773
+C	 0.054907679	 0.2621367697	 2.3786433187	 0.047499
+C	-1.4626022295	 0.6625177959	 2.5019475032	-0.280259
+C	-1.7830421112	-0.4616019837	 1.5128532413	-0.054063
+O	-1.0237120058	-0.1850935211	 0.31994003	-0.298239
+C	-0.3641872028	-0.8560362735	 1.3994707279	 0.439041
+C	 0.3351261298	-2.1334028305	 1.1486013747	-0.134789
+C	 1.2016983985	-2.2787135041	-0.0836798235	-0.264389
+C	-0.102853266	-3.0255043454	 0.0155921712	-0.270325
+H	 0.7659185675	 0.398494211	 4.1803523789	 0.288654
+H	 0.7134229752	 1.0219011815	 1.9377836269	 0.073897
+H	-1.8235206582	 0.4587525302	 3.513299364	 0.106113
+H	-1.7522194674	 1.668054548	 2.1866185281	 0.10463
+H	-2.6906659086	-1.0416654617	 1.3902735806	 0.102874
+H	 0.6921618078	-2.609728175	 2.0553688515	 0.103463
+H	 1.2407237731	-1.4368289102	-0.765574751	 0.12501
+H	 2.1289053758	-2.8325996706	 0.0099825836	 0.111614
+H	-0.9214394984	-2.6728706648	-0.6008612216	 0.125779
+H	-0.077762056	-4.0972624843	 0.1766168797	 0.109263
+19
+0 4151	2.6202001	1.4656353	1.1537078	1.7929	75.64	-0.26038	0.00484	0.26522	1120.399	0.155987	-422.552589	-422.543819	-422.542874	-422.586322	32.422
+C	-2.3148350546	 1.936259833	-1.7447941315	-0.408502
+C	-2.3738497206	 1.8717050704	-0.2250238248	-0.044222
+C	-2.736500722	 3.165398589	 0.5946410165	-0.24648
+C	-1.4579508156	 2.990070561	 1.4255015858	-0.147904
+C	-0.2472206494	 3.0320400303	 0.5150502161	-0.32822
+C	-1.0749694352	 1.7909342904	 0.585499177	 0.478489
+O	-0.5342674914	 0.5847014206	 1.0797407793	-0.25597
+C	 0.1518898087	-0.1741964721	 0.2052702648	 0.148594
+O	 0.3260165702	 0.0574798207	-0.9575548629	-0.291815
+H	-1.9167044074	 1.0077929108	-2.1613739513	 0.139127
+H	-3.3139591545	 2.1053885164	-2.1611837714	 0.108728
+H	-1.6706996331	 2.753047021	-2.0857503512	 0.115416
+H	-3.0322255725	 1.0564203436	 0.0923811644	 0.082678
+H	-2.7869942067	 4.0911574016	 0.0122075453	 0.100179
+H	-3.6584525651	 3.0599748198	 1.1695951009	 0.107163
+H	-1.3666951952	 3.1312045743	 2.4948964991	 0.098986
+H	-0.2318095506	 3.6544583137	-0.3758138244	 0.114814
+H	 0.7050131414	 2.9573510114	 1.0298965805	 0.12006
+H	 0.5295972637	-1.0600521161	 0.7391902479	 0.108879
+19
+0 4152	2.722613	1.2378164	0.9580192	2.7101	75.87	-0.24728	-0.02792	0.21936	1249.991	0.154525	-422.532701	-422.523541	-422.522596	-422.567668	33.055
+C	-3.4113693803	 1.1779011872	 0.4305122308	-0.417912
+C	-2.2519725665	 2.163208896	 0.5099571377	-0.042943
+C	-2.5366231939	 3.5711665537	-0.1330151577	-0.259919
+C	-1.4144647756	 3.2945108403	-1.1384274646	-0.052907
+O	-0.2188266941	 3.0583046182	-0.3792102752	-0.295879
+C	-1.1417316939	 1.9697496482	-0.5522183807	 0.41424
+C	-0.6082454845	 0.6900528941	-1.1296739176	-0.399431
+C	 0.2458707571	-0.0548224624	-0.1167548398	 0.158104
+O	 0.0242657227	-1.1743456163	 0.265782367	-0.237064
+H	-4.2289315072	 1.4881662355	 1.0889875341	 0.12297
+H	-3.8119685634	 1.1134658044	-0.587937015	 0.114042
+H	-3.0990535324	 0.1726697364	 0.7327400057	 0.134074
+H	-1.8508667833	 2.2073655241	 1.5269190581	 0.084773
+H	-3.526731482	 3.6170563664	-0.5947025496	 0.106246
+H	-2.3850799829	 4.4486854174	 0.4996176816	 0.112791
+H	-1.2866573639	 3.6611019233	-2.1512102461	 0.102932
+H	-1.4178300882	 0.0308096192	-1.4546016554	 0.127314
+H	 0.0230899892	 0.9373556285	-1.9926569092	 0.130854
+H	 1.1122479231	 0.5283965059	 0.2655238059	 0.097715
+19
+0 4153	2.7875344	1.1683997	0.9638946	1.956	75.98	-0.23489	-0.02747	0.20742	1256.8116	0.154522	-422.524676	-422.515529	-422.514584	-422.559518	33.082
+C	-2.5528754222	 2.2067716965	-1.4590858057	-0.414818
+C	-2.4300754187	 2.0830335364	 0.0445736759	 0.112449
+O	-2.7884331236	 3.2988438994	 0.7722285403	-0.305779
+C	-1.5734838927	 3.2304115844	 1.5152259413	 0.046748
+C	-0.3903113772	 3.399814789	 0.6165944581	-0.354036
+C	-1.0596042872	 2.0381995713	 0.7397136138	 0.241337
+C	-0.351142503	 0.7755400607	 1.1561478737	-0.394382
+C	 0.3530645028	 0.1283930345	-0.0231077891	 0.166918
+O	 0.1528044912	-0.9932339053	-0.4108823947	-0.23736
+H	-2.2888123124	 1.2564883655	-1.9356991639	 0.130175
+H	-3.5843997545	 2.4483559338	-1.7338734869	 0.132795
+H	-1.9020060835	 2.9906600684	-1.8550098547	 0.122013
+H	-3.0598002066	 1.260778504	 0.411205219	 0.086895
+H	-1.6064312838	 3.4547321983	 2.5753511041	 0.108176
+H	-0.4805854948	 4.0042717994	-0.280920007	 0.120913
+H	 0.5708551168	 3.4667717382	 1.1183319203	 0.114775
+H	 0.4120669944	 1.0160033865	 1.9093363542	 0.121011
+H	-1.0421912545	 0.0460810689	 1.5906795014	 0.123625
+H	 1.0839263993	 0.7941938802	-0.5371594203	 0.078543
+19
+0 4154	2.8921407	1.1207162	0.9432846	2.9025	75.92	-0.24224	-0.01965	0.22259	1276.7345	0.155339	-422.538986	-422.529853	-422.528908	-422.573752	33.253
+O	-2.5684607641	 1.7766699621	-1.3962593331	-0.430194
+C	-2.5138548971	 1.9255169658	 0.0026121027	 0.078386
+C	-2.8853206857	 3.2881076471	 0.6853114888	-0.27567
+C	-1.5540047134	 3.2277320206	 1.4419188141	-0.11084
+C	-0.431825609	 3.2387488507	 0.4463810416	-0.336655
+C	-1.1533489764	 1.9374549314	 0.7098009638	 0.328544
+C	-0.4309662003	 0.7016961682	 1.1877572705	-0.40607
+C	 0.2344958294	-0.0296726199	 0.0334881743	 0.16084
+O	 1.3679719615	-0.435213741	 0.0447777832	-0.242504
+H	-1.9701176921	 2.4199103143	-1.7913795193	 0.281462
+H	-3.1421482859	 1.1219036994	 0.3982401193	 0.094071
+H	-2.9967987792	 4.1402491898	 0.0062255315	 0.098396
+H	-3.7772897987	 3.2195239904	 1.3109338994	 0.109594
+H	-1.4047347377	 3.4742725859	 2.4856295634	 0.095271
+H	-0.5408709935	 3.7823319032	-0.4913518451	 0.097197
+H	 0.5727176693	 3.2824619117	 0.8553861586	 0.124874
+H	 0.3323727691	 0.9307772284	 1.9377944777	 0.12065
+H	-1.1519146082	 0.0071192984	 1.6452201029	 0.120667
+H	-0.418560288	-0.1627384166	-0.8583929742	 0.09198
+19
+0 4155	2.1333135	2.0224351	1.4188625	2.6062	73.33	-0.23197	-0.01928	0.21269000000000002	991.7902	0.158535	-422.59522	-422.587506	-422.586562	-422.627335	30.214
+C	-0.6906306199	-1.4812423987	-2.5938068679	-0.416912
+C	-1.6329831826	-1.3772345307	-1.395442484	 0.026029
+C	-2.5754505375	-0.1300735968	-1.3750759622	-0.250134
+C	-2.3128663903	 0.4428860572	 0.0373951336	 0.073192
+C	-0.9587614553	 1.1759602076	 0.0704845687	-0.340831
+C	-0.0073898785	-0.0292549175	-0.0443677084	 0.43149
+O	 1.1882604686	-0.0239783952	-0.1623615443	-0.325254
+C	-0.9558646546	-1.2363017555	 0.0002319997	-0.057138
+O	-2.0211662063	-0.736731862	 0.8158583393	-0.264759
+H	-0.0287714011	-2.3485627094	-2.5020197473	 0.125357
+H	-1.2595664055	-1.5927448278	-3.5219889085	 0.119147
+H	-0.0566322062	-0.5946529128	-2.6941530979	 0.129172
+H	-2.2455482774	-2.2824230114	-1.3434081721	 0.090685
+H	-2.3325472352	 0.5897348646	-2.1623577073	 0.103205
+H	-3.6221000032	-0.4174668269	-1.4940257548	 0.110503
+H	-3.144837917	 0.9775354821	 0.4940069153	 0.08674
+H	-0.783756737	 1.9004202885	-0.7285814338	 0.12601
+H	-0.8063192529	 1.6750683411	 1.0326225465	 0.137177
+H	-0.5256959481	-2.1440352966	 0.4197162054	 0.096321
+19
+0 4156	2.7553995	1.5814714	1.3213973	4.432	73.87	-0.25742	0.0185	0.27592	1034.5779	0.159765	-422.621455	-422.61403	-422.613086	-422.653105	29.474
+C	-2.557226513	-2.6231544503	-1.4264791129	-0.423773
+C	-1.7858940779	-1.3105419278	-1.2749238916	 0.033211
+C	-2.7000388275	-0.0545037305	-1.0787945909	-0.238468
+C	-2.1812403488	 0.524687919	 0.2487999378	 0.103623
+C	-1.8801126882	-0.729877103	 1.0789430538	-0.248529
+C	-0.8987375246	-1.2642825205	 0.01734349	-0.168843
+C	-0.0197557523	-0.0300418707	-0.1577614831	 0.444549
+O	 1.1432435524	 0.0711016257	-0.4151383505	-0.354318
+O	-0.8493466771	 1.0522947752	-0.0057956825	-0.244243
+H	-3.1957310506	-2.8230733422	-0.5591987446	 0.117372
+H	-3.2036957455	-2.5897132577	-2.3096290155	 0.122459
+H	-1.8743122933	-3.4706533133	-1.5435462842	 0.122809
+H	-1.1480716904	-1.1853470115	-2.154910889	 0.09853
+H	-2.60746971	 0.6725666047	-1.888010392	 0.119895
+H	-3.7548884421	-0.3346772225	-0.9921558948	 0.104229
+H	-2.7737342023	 1.317944943	 0.7013266912	 0.091007
+H	-1.4087991534	-0.5015125033	 2.0378208459	 0.119689
+H	-2.7551495303	-1.3626801272	 1.2412112738	 0.110011
+H	-0.3305888553	-2.1685774073	 0.2239308792	 0.090791
+19
+0 4157	2.2104491	1.9732573	1.4566668	2.214	74.16	-0.23905	-0.01681	0.22224000000000002	980.011	0.158349	-422.597291	-422.589655	-422.588711	-422.629175	30.219
+C	-0.56535188	-1.3705636781	-2.5561538469	-0.4092
+C	-1.5292164986	-1.3180548325	-1.3812133605	 0.136471
+O	-2.3362912426	-0.1189718353	-1.4385429025	-0.296771
+C	-2.2584723054	 0.4987650114	-0.1446821132	 0.101402
+C	-2.1242128322	-0.6977254872	 0.8138968444	-0.252529
+C	-0.9110948681	-1.2696657095	 0.0439163561	-0.159081
+C	 0.0369197792	-0.0652796964	 0.069381264	 0.430929
+O	 1.2367326121	-0.0764512495	 0.1456563437	-0.334116
+C	-0.8802515915	 1.1719208786	-0.0253244527	-0.333277
+H	-0.0040003485	-2.310523251	-2.5454044653	 0.12072
+H	-1.1236813429	-1.315114983	-3.494709582	 0.128899
+H	 0.1501061424	-0.5441882789	-2.5328546435	 0.132556
+H	-2.202008471	-2.1871039437	-1.4312047119	 0.080275
+H	-3.121203563	 1.1526308038	-0.0190252125	 0.083655
+H	-1.8994199446	-0.4123261931	 1.8448894674	 0.109132
+H	-2.9958052123	-1.3560206762	 0.7960199046	 0.11379
+H	-0.460572525	-2.2034054683	 0.3753353214	 0.086695
+H	-0.7829462958	 1.7832514857	 0.8792654625	 0.125638
+H	-0.6252927925	 1.7910337434	-0.8887246831	 0.134813
+19
+0 4158	2.1814259	1.9923964	1.4603669	2.9346	73.72	-0.23247	-0.00989	0.22258	971.7072	0.159068	-422.605646	-422.598033	-422.597089	-422.637585	30.299
+O	-0.854201123	-1.2643775304	 2.5003390011	-0.433498
+C	-1.7033377517	-1.3969628698	 1.3736697029	 0.136893
+C	-2.6853031976	-0.1902819177	 1.3338684366	-0.225347
+C	-2.3513111731	 0.5005751004	-0.0062476299	-0.022055
+C	-2.0681742935	-0.7276882088	-0.907967393	-0.241045
+C	-0.9616811959	-1.3026666389	 0.0031092886	-0.178491
+C	-0.0297342143	-0.0971706643	 0.1338830612	 0.447249
+O	 1.1687325138	-0.1103248233	 0.2339876738	-0.34019
+C	-0.948748388	 1.1364195097	 0.0995581808	-0.328482
+H	-0.1173114316	-1.8774631243	 2.4040259641	 0.289617
+H	-2.2513906185	-2.3490463534	 1.4163476137	 0.07428
+H	-3.7247250677	-0.5286698093	 1.3525031891	 0.099198
+H	-2.5221583496	 0.4499599329	 2.204129234	 0.117171
+H	-3.1230508041	 1.184236792	-0.362569457	 0.067848
+H	-2.9299703318	-1.3945979507	-1.0061340299	 0.103279
+H	-1.7105991007	-0.4679901418	-1.9091371334	 0.105507
+H	-0.452251163	-2.2166121304	-0.3031571256	 0.073297
+H	-0.7940079739	 1.7611346154	 0.9835685572	 0.130643
+H	-0.7047605259	 1.7408192226	-0.7819345241	 0.124126
+19
+0 4159	2.267671	1.9227414	1.407416	1.856	74.78	-0.2377	0.01057	0.24827	997.6559	0.158491	-422.567488	-422.559662	-422.558717	-422.599382	31.077
+C	 1.3862924633	 0.1746738503	 0.6210594289	-0.513357
+C	-0.0373894593	-0.1522179253	 0.319001123	 0.331688
+C	-0.714563561	-1.3027680225	 0.3985327574	-0.211524
+C	-2.1594980064	-0.9676507033	 0.0467169024	 0.02817
+C	-2.7825734713	-0.211169835	 1.2582245021	-0.262936
+C	-1.9783925193	 1.1239093576	 1.2060773799	 0.137705
+O	-1.2503592532	 1.4485351657	 2.3740485706	-0.440229
+C	-1.0968302065	 0.8781122805	-0.0755001458	-0.05722
+O	-1.9957782989	 0.1176747531	-0.8846317461	-0.248791
+H	 1.4516499865	 0.9456566057	 1.3982569143	 0.137865
+H	 1.9433359226	-0.7045130486	 0.9566720391	 0.125982
+H	 1.8921229327	 0.5825585622	-0.2631813795	 0.135074
+H	-0.3567437918	-2.2713883776	 0.723217331	 0.099475
+H	-2.7666165311	-1.7605242236	-0.388451099	 0.080138
+H	-3.8496792709	-0.0435173183	 1.0962563161	 0.110154
+H	-2.655962086	-0.7274013917	 2.2134160123	 0.096841
+H	-2.6399418048	 1.9742810165	 1.0298980965	 0.096647
+H	-0.7588698548	 0.6617666377	 2.6342457507	 0.278749
+H	-0.7600680698	 1.7757175267	-0.5935430538	 0.075569
+19
+0 4160	2.8454268	1.5671002	1.2995229	2.0459	75.54	-0.23446	0.00842	0.24288	1059.2645	0.157363	-422.563046	-422.555027	-422.554082	-422.595236	31.12
+C	-3.2774560631	 1.8155506839	 1.2236497737	-0.410171
+C	-2.0174365489	 0.9648580453	 1.2723011065	 0.15092
+O	-2.3634227704	-0.4218714758	 1.4468839935	-0.296759
+C	-1.8281687004	-1.0664120471	 0.2667875743	 0.14235
+O	-2.0244543711	-0.1026587376	-0.7476917151	-0.234364
+C	-1.2394492062	 0.907127121	-0.0896799169	-0.096286
+C	 0.0701948394	 0.1730179499	 0.2026842353	 0.338908
+C	 1.3979420471	 0.8357765451	 0.3401324107	-0.509457
+C	-0.3108302376	-1.0902885597	 0.413888732	-0.209955
+H	-3.8752185856	 1.6589639631	 2.1258684221	 0.125722
+H	-3.0237058507	 2.8795680287	 1.1602384151	 0.106106
+H	-3.8810552996	 1.5392411376	 0.3554690572	 0.134368
+H	-1.362021686	 1.2797809754	 2.0933495108	 0.077011
+H	-2.3754928817	-1.9872485307	 0.0770576323	 0.092485
+H	-1.2062018458	 1.8297846563	-0.6675350205	 0.085445
+H	 1.3778539665	 1.6145764072	 1.1133228161	 0.131937
+H	 2.177053424	 0.1176113274	 0.6084884343	 0.132502
+H	 1.6942816902	 1.3308284442	-0.5932294556	 0.132217
+H	 0.2781883299	-1.9300587041	 0.755975764	 0.107019
+19
+0 4161	3.6200052	1.5043462	1.3780256	2.9307	72.78	-0.2512	0.08868	0.33987999999999996	996.6623	0.1591	-422.549784	-422.542712	-422.541768	-422.580958	28.752
+C	 1.3020442832	 1.3939022574	 0.0072015395	-0.417306
+C	 1.9656189375	 0.0182080326	-0.0572397443	 0.041716
+C	 1.5375746987	-0.9274348416	 1.1191825232	-0.245419
+C	 0.8766283069	-2.0994747626	 0.3489864834	 0.021982
+O	 0.2897506102	-1.437305053	-0.7739379113	-0.24176
+C	 1.4781185228	-0.8207717147	-1.2750945409	 0.006784
+C	 2.4416616362	-2.0097003327	-1.3979664553	 0.029221
+O	 1.7959690909	-3.2581184948	-1.6508860529	-0.241954
+C	 2.0312292053	-2.8822354345	-0.2949496067	 0.034755
+H	 1.5642849867	 1.916090157	 0.9331924459	 0.114049
+H	 1.611154498	 2.0260708258	-0.8322186964	 0.11217
+H	 0.2126573405	 1.291469137	-0.0265838467	 0.131819
+H	 3.054540659	 0.1371961576	-0.0833273626	 0.071541
+H	 2.3825109589	-1.2498669396	 1.7346217633	 0.099767
+H	 0.8110799953	-0.4370774688	 1.7721721338	 0.107115
+H	 0.1170061526	-2.6718568642	 0.8802590939	 0.086922
+H	 1.2500312658	-0.2631000271	-2.1836220121	 0.083363
+H	 3.4623152975	-1.8945166834	-1.749039133	 0.102742
+H	 2.7054780742	-3.5020701106	 0.287763399	 0.102494
+19
+0 4162	2.5334839	2.0237936	1.6888727	2.6957	73.08	-0.24142	0.08232	0.32374	906.9232	0.158959	-422.537776	-422.530792	-422.529848	-422.568645	28.861
+C	 0.3182794447	-0.5528587832	-0.2970133826	-0.42217
+C	 0.7524609169	 0.711652133	 0.4276626004	 0.16991
+O	 2.1097186358	 1.0873704155	 0.073762343	-0.282461
+C	 2.7737880874	 1.4385677286	 1.284459082	 0.055541
+C	 1.6437041737	 2.0111244246	 2.1640406314	-0.239729
+C	 0.7889158087	 0.7232782743	 1.9716351686	-0.110463
+C	 1.7829936091	-0.3290284455	 2.5175635288	 0.029955
+O	 2.5625377896	-1.0483578939	 1.551231862	-0.230373
+C	 3.1084900709	 0.1499701392	 2.0903792749	 0.036698
+H	-0.73276961	-0.7651966066	-0.0712812084	 0.10321
+H	 0.4011784295	-0.3981843646	-1.3771276151	 0.122578
+H	 0.9298789919	-1.4096596737	-0.0206720094	 0.151212
+H	 0.0866803702	 1.528911999	 0.1081972017	 0.068
+H	 3.6248882878	 2.0794122941	 1.0534905785	 0.077029
+H	 1.9459809957	 2.1746032475	 3.201884274	 0.1003
+H	 1.1891165703	 2.9208233118	 1.761312782	 0.103669
+H	-0.1946473138	 0.7069050562	 2.441521198	 0.069498
+H	 1.5843043141	-0.8571393553	 3.4453380029	 0.100052
+H	 4.0297967573	 0.0491654888	 2.6575874472	 0.097542
+19
+0 4163	3.7977962	1.521681	1.4119053	1.6368	73.42	-0.24957	0.09049	0.34006	987.3663	0.159337	-422.558316	-422.551291	-422.550347	-422.589344	28.808
+C	 0.3606125858	 0.4058402613	 0.2453076663	-0.41049
+C	 0.9389861738	-0.7766103485	-0.5150492911	 0.153015
+O	 2.337878663	-0.5343649504	-0.8097515934	-0.291763
+C	 3.0302366912	-1.6056856144	-0.17100455	 0.17906
+O	 2.2717023608	-1.8641198222	 0.9980802761	-0.254846
+C	 1.0322429937	-2.0937539902	 0.3057042566	 0.001422
+C	 1.3906406642	-3.2107308653	-0.6760611822	-0.049099
+C	 2.5128708568	-4.1336192512	-0.279832192	-0.314922
+C	 2.8284299421	-2.8602954611	-1.0211868602	-0.067897
+H	 0.8467706718	 0.5017188581	 1.2198408143	 0.132759
+H	 0.5237824519	 1.3308434201	-0.314594499	 0.126099
+H	-0.7173616111	 0.2800811963	 0.3950145775	 0.10791
+H	 0.4019327075	-0.9355050036	-1.4580408305	 0.077174
+H	 4.0435168499	-1.2931356868	 0.0798087995	 0.092314
+H	 0.2296856313	-2.2713207238	 1.0211632977	 0.087351
+H	 0.6722241853	-3.4986084961	-1.4337331139	 0.094326
+H	 2.7859086203	-4.2144127346	 0.7657816285	 0.126188
+H	 2.5967477611	-5.0519860492	-0.8505729658	 0.112295
+H	 3.2046716706	-2.8683245284	-2.0357727884	 0.099106
+19
+0 4164	2.472786	2.027822	1.6948954	2.9181	72.08	-0.24768	0.08078	0.32846000000000003	896.5465	0.160466	-422.554912	-422.548276	-422.547332	-422.585387	28.422
+O	-0.537114713	 0.62002047	 0.2193105912	-0.452059
+C	-1.8851443582	 0.2730028109	 0.4197747786	 0.173596
+C	-2.7603934641	 0.1875897775	-0.8819399507	-0.251789
+C	-3.3904144058	-1.2203478683	-0.8009182189	-0.061842
+C	-3.6192972657	-1.3521986868	 0.7321270504	-0.224434
+C	-2.1259781526	-1.1183517813	 1.0817639853	-0.100172
+C	-1.4763478109	-2.2235227193	 0.2258394766	 0.038008
+O	-0.9372219239	-1.8005091386	-1.0456896612	-0.269287
+C	-2.2914013808	-2.2875250733	-0.9958961471	 0.038052
+H	-0.1998560541	-0.0099022827	-0.4305282016	 0.292106
+H	-2.2815889661	 1.0431229283	 1.0884203973	 0.082682
+H	-3.5441886819	 0.9504119248	-0.8879717681	 0.09495
+H	-2.1411317928	 0.3332423008	-1.7688206248	 0.109927
+H	-4.2620492528	-1.3722802113	-1.4388293414	 0.06466
+H	-4.2950129985	-0.5941802545	 1.1426933332	 0.097719
+H	-3.9777636857	-2.3424645811	 1.0296002664	 0.097718
+H	-1.8482244751	-1.1565634151	 2.1352349875	 0.066377
+H	-0.9679799027	-3.0693742676	 0.6779472309	 0.103009
+H	-2.4707603252	-3.1892474124	-1.5733258236	 0.100776
+19
+0 4165	3.6422562	1.5038135	1.3845939	1.784	73.01	-0.24903	0.07965	0.32867999999999997	984.0501	0.16016	-422.563165	-422.556268	-422.555324	-422.594114	28.831
+O	 0.3017769096	 0.0085114601	 0.565296676	-0.448098
+C	-0.7779739583	 0.8412931645	 0.1884026715	 0.175625
+C	-2.1679242578	 0.1349899774	 0.3373622482	-0.259568
+C	-2.6174778711	 0.0372535382	-1.1400946809	 0.054731
+O	-1.3597673796	-0.0824491911	-1.8354339567	-0.280595
+C	-0.7645775633	 1.1304696412	-1.3318122585	 0.003406
+C	-1.8044503391	 2.1976494757	-1.6622656156	-0.048619
+C	-2.6490017721	 1.946298286	-2.8866463964	-0.314873
+C	-3.1082474138	 1.4268020197	-1.5517250916	-0.035571
+H	 0.2786614324	-0.7500704288	-0.0310589817	 0.280463
+H	-0.6898414616	 1.7445112147	 0.7968833202	 0.084157
+H	-2.0226166014	-0.8475467411	 0.7932482069	 0.104089
+H	-2.8718022645	 0.6994708558	 0.9539438961	 0.101501
+H	-3.2507583904	-0.8116506983	-1.3997795349	 0.080661
+H	 0.2341049636	 1.2521349526	-1.7528791069	 0.082445
+H	-1.684565272	 3.1988176114	-1.2664192395	 0.091593
+H	-3.1870191385	 2.8011776546	-3.2811576486	 0.110553
+H	-2.2935405176	 1.2420221416	-3.6297799505	 0.127247
+H	-3.9834718845	 1.8401735557	-1.065214077	 0.090852
+19
+0 4166	3.4030222	1.3482131	1.2947319	0.2644	74.9	-0.25554	0.08044	0.33598	1072.2904	0.15743	-422.515678	-422.507931	-422.506987	-422.547616	30.432
+C	 2.723479352	-2.047857162	-3.2824533065	-0.418399
+C	 2.0190049358	-2.102738448	-1.9300755834	 0.039584
+C	 2.4616972365	-0.982052377	-0.9214944165	-0.245746
+C	 3.0044763525	-1.8955033134	 0.1944231103	-0.029193
+O	 3.7550843888	-2.9034153391	-0.5592684844	-0.300465
+C	 2.4424897788	-3.3144854739	-1.0639653974	-0.049292
+C	 1.9014320591	-2.9498901683	 0.3192003932	 0.505283
+C	 1.4058827795	-3.7392790118	 1.4307590674	-0.295561
+O	 0.5692861729	-2.7850886424	 0.7278051314	-0.284355
+H	 2.4018213964	-2.8680574253	-3.9337903118	 0.110314
+H	 2.5076681141	-1.1073889091	-3.7999570962	 0.114699
+H	 3.8070682678	-2.1211850422	-3.1492259884	 0.130857
+H	 0.9325241361	-2.1010299221	-2.06467037	 0.086008
+H	 3.2470745901	-0.3417289279	-1.3304482424	 0.106378
+H	 1.6324203763	-0.356870146	-0.5810538549	 0.112993
+H	 3.5459896831	-1.4674749123	 1.0370729576	 0.085889
+H	 2.4179548725	-4.3161801485	-1.4927763094	 0.082848
+H	 1.1364254211	-4.7835205814	 1.282815825	 0.124167
+H	 1.6587881766	-3.4632526993	 2.4529319663	 0.12399
+19
+0 4167	3.4322813	1.3750607	1.3001274	2.6447	75.39	-0.23578	0.08145	0.31723	1062.2226	0.157306	-422.513892	-422.506177	-422.505233	-422.54571	30.502
+C	-0.0597928179	-0.0970936232	-0.0165132491	-0.417803
+C	 1.4477520008	 0.0625902207	 0.0708507631	 0.161838
+O	 2.1028133848	-0.5279432246	-1.0907197553	-0.299521
+C	 3.0803468503	-1.3903810123	-0.4912784751	-0.006873
+C	 2.2722700352	-2.1353908019	 0.6040765604	-0.251422
+C	 2.1859743499	-0.6904426508	 1.1994469871	-0.201079
+C	 3.6230883272	-0.5419135434	 0.6641977674	 0.538789
+C	 4.9123815481	-0.4895783371	 1.3352460958	-0.306113
+O	 4.388177639	 0.631259289	 0.5875794997	-0.292909
+H	-0.5464438367	 0.4345489461	 0.8082622956	 0.113676
+H	-0.4234091733	 0.3286523683	-0.956445037	 0.131156
+H	-0.3640561382	-1.14663545	 0.018590271	 0.117657
+H	 1.7037129081	 1.1296934068	 0.1038769582	 0.091373
+H	 3.6860288967	-1.8702539524	-1.2571758046	 0.086632
+H	 1.3500964265	-2.616722377	 0.2786327475	 0.10901
+H	 2.8752196288	-2.8072335367	 1.2168181685	 0.106619
+H	 1.9051623918	-0.4771391789	 2.2292965594	 0.078733
+H	 4.9608865286	-0.3445031014	 2.4136267992	 0.119198
+H	 5.7828240802	-0.9715268213	 0.8922090982	 0.121038
+19
+0 4168	2.4336558	1.8666177	1.4283102	2.9415	74.39	-0.24936	0.08117	0.33053	977.9662	0.158688	-422.530915	-422.523501	-422.522557	-422.562325	30.185
+O	-0.7626312077	 0.7686891473	 0.7935511531	-0.454575
+C	-2.1253485437	 0.5183422192	 0.5303076419	 0.163516
+C	-2.4406939707	 0.0213459076	-0.9307899897	-0.256129
+C	-3.3844379116	 1.1529995236	-1.3913476335	-0.129016
+C	-4.3128867609	 1.3103514714	-0.145067688	-0.242287
+C	-3.0034119996	 1.7920271481	 0.5513950869	-0.162451
+C	-2.6546754358	 2.3746182182	-0.8241864155	 0.52208
+C	-2.5109553529	 3.7462590934	-1.2853918203	-0.310733
+O	-1.3770195315	 2.8487450017	-1.2288457431	-0.3145
+H	-0.4806864174	 1.4856061731	 0.2109071498	 0.294924
+H	-2.4432606531	-0.2064941581	 1.2845052751	 0.082425
+H	-1.5206208627	-0.032526907	-1.5182389608	 0.112067
+H	-2.9256082516	-0.9583901333	-0.9535743913	 0.098608
+H	-3.7709452262	 1.1251200771	-2.4094264109	 0.07061
+H	-5.0547475369	 2.1040222174	-0.2537152071	 0.104599
+H	-4.7787102409	 0.4016649545	 0.243851596	 0.100949
+H	-2.9968830435	 2.384869192	 1.4647931767	 0.07293
+H	-2.8200255042	 4.0204711026	-2.2927051132	 0.123135
+H	-2.4882407589	 4.5652169711	-0.5680427259	 0.123848
+19
+0 4169	2.5161423	1.7347873	1.3626547	2.2037	74.28	-0.23795	0.06928	0.30723	1008.3488	0.158004	-422.517035	-422.509374	-422.508429	-422.548748	30.814
+O	 0.5182057613	 0.6030617346	 0.2509884619	-0.442765
+C	-0.797499915	 0.7093144315	 0.7499664845	 0.149062
+C	-1.0410255926	 0.1191519993	 2.183358562	-0.267126
+C	-1.5451100673	 1.4142358071	 2.8468067858	-0.009498
+O	-2.4792446835	 1.9107094671	 1.8268979893	-0.299703
+C	-1.2628109249	 2.1587771297	 1.0537881029	-0.058507
+C	-0.556517703	 2.4821353163	 2.3704715871	 0.427963
+C	-0.2816126683	 3.8110673007	 2.9753297671	-0.358911
+C	 0.853618909	 2.8219473313	 2.7474819948	-0.377228
+H	 1.1119374849	 0.9740687419	 0.9124210831	 0.283782
+H	-1.4409700721	 0.2459726374	-0.000146121	 0.096154
+H	-1.8007222217	-0.6646573206	 2.2013422861	 0.111936
+H	-0.1176943247	-0.2725624491	 2.6208678578	 0.097271
+H	-1.953232315	 1.3855621341	 3.8573329174	 0.081697
+H	-1.3730561558	 2.8630756154	 0.2295328271	 0.082428
+H	-0.3223101598	 4.6889156265	 2.3388153063	 0.122101
+H	-0.5993985161	 3.9869908125	 3.9978883205	 0.12017
+H	 1.5679983888	 3.0559905193	 1.9636818866	 0.120966
+H	 1.2893010158	 2.3390276247	 3.6168732507	 0.120208
+19
+0 4170	4.0705568	1.0500945	1.0171355	2.8764	76.26	-0.24071	-0.02393	0.21678	1239.2736	0.157112	-422.551709	-422.543548	-422.542604	-422.584502	30.928
+C	 1.8258294826	 1.321505841	 0.2674175948	-0.416245
+C	 1.3174869468	-0.0843610641	-0.0408036079	 0.033187
+C	 1.6074469135	-1.1417404791	 1.0790080238	-0.245035
+C	 2.4827326651	-2.092422802	 0.2408356266	 0.060081
+O	 3.3578927957	-1.1653131262	-0.4738889133	-0.296621
+C	 2.1235025211	-0.7890090966	-1.1595947678	 0.050871
+C	 1.6620520847	-2.2733238049	-1.072083068	-0.094428
+C	 2.3114820642	-3.1772602313	-2.0802947944	 0.142162
+O	 1.7135759949	-4.0153539882	-2.7095415304	-0.264031
+H	 1.3338566824	 1.7314348993	 1.1552292918	 0.117667
+H	 2.9036337293	 1.3012274134	 0.454059067	 0.13442
+H	 1.6338815861	 2.0059665932	-0.5660711788	 0.113828
+H	 0.2534308044	-0.053409623	-0.2960414563	 0.078957
+H	 2.1754960719	-0.71938092	 1.9115646818	 0.113451
+H	 0.709796816	-1.6236062884	 1.4739645081	 0.107297
+H	 3.0077531808	-2.9135902458	 0.7290001561	 0.091715
+H	 2.2805613628	-0.2705467099	-2.1062969488	 0.088608
+H	 0.5933163943	-2.4867948217	-0.9976742442	 0.088029
+H	 3.4023094635	-3.0185917156	-2.21069362	 0.096088
+19
+0 4171	2.3737951	1.596048	1.2275394	2.7453	75.97	-0.23776	-0.02863	0.20913	1079.3642	0.15714	-422.547043	-422.538942	-422.537998	-422.579835	30.876
+C	-0.0984716878	-0.1995474337	 0.087367175	-0.429554
+C	 1.408976748	-0.010703869	 0.0878228863	 0.15623
+O	 2.0418187649	-0.6361107284	-1.0645872901	-0.29966
+C	 3.1245580119	-1.366542663	-0.4617087441	 0.081471
+C	 3.6706040368	-0.4107983043	 0.6219408203	-0.24327
+C	 2.2415693701	-0.6582925433	 1.205379418	-0.101089
+C	 2.4270960378	-2.1455970467	 0.6873037852	-0.072718
+C	 1.2892182469	-3.0743681267	 0.362903364	 0.115806
+O	 0.8951965096	-3.9347248815	 1.1135439635	-0.266736
+H	-0.549985088	 0.4205714287	 0.868800556	 0.120254
+H	-0.5096414926	 0.1173822245	-0.8757464035	 0.133968
+H	-0.40041386	-1.2346597029	 0.2607713486	 0.133685
+H	 1.6196742854	 1.0673348265	 0.0498653124	 0.081498
+H	 3.7286609526	-1.8352073063	-1.2368278656	 0.089017
+H	 4.4671715146	-0.8470532265	 1.2254328717	 0.109315
+H	 3.9238794621	 0.6051830806	 0.3103264597	 0.105329
+H	 1.9728128	-0.4436729219	 2.238294409	 0.087479
+H	 3.1245992539	-2.6656021778	 1.3473123898	 0.10227
+H	 0.8460087838	-2.9447099684	-0.6465388062	 0.096707
+19
+0 4172	2.7460772	1.4208074	1.242594	3.0328	74.86	-0.2511	-0.0284	0.22269999999999998	1072.8439	0.157708	-422.560195	-422.552114	-422.55117	-422.592873	31.005
+O	 1.0461367918	 2.0874253782	-3.9536221463	-0.447723
+C	 1.2552845352	 1.2812534788	-2.8117783907	 0.164013
+C	 1.6282376137	-0.2140830505	-3.0912720444	-0.259103
+C	 0.5051684579	-0.9087942189	-2.2931566408	-0.033546
+C	-0.7402160124	-0.0764116765	-2.7156875649	-0.243437
+C	-0.0067151859	 1.0608496411	-1.9451211401	-0.076515
+C	 0.4604087972	-0.083446359	-0.9730563353	-0.079082
+C	 1.660342061	 0.1105971192	-0.0899935892	 0.126337
+O	 2.7311026471	-0.4279772349	-0.2292142238	-0.246234
+H	 0.4022177251	 1.6506132169	-4.520548978	 0.276391
+H	 2.0395698197	 1.7981422388	-2.2522736713	 0.093538
+H	 1.5663999899	-0.4311919245	-4.1625846926	 0.090909
+H	 2.6242484241	-0.4790784939	-2.7374721541	 0.132918
+H	 0.4922393506	-1.9978142786	-2.2792759183	 0.072156
+H	-0.9266020767	 0.0558730013	-3.7870107631	 0.080404
+H	-1.661745288	-0.3919483544	-2.222004034	 0.104443
+H	-0.5197535162	 1.9516684902	-1.5838357343	 0.073481
+H	-0.3813384847	-0.3724993492	-0.3308912829	 0.095314
+H	 1.4876854507	 0.8164728061	 0.7572186941	 0.075736
+19
+0 4173	2.6129615	1.5539211	1.4095813	1.9938	75.27	-0.23047	0.02148	0.25195	1031.9603	0.158004	-422.56687	-422.558829	-422.557885	-422.599107	31.363
+C	 1.4860607072	 0.1693557451	-0.0614816152	-0.509173
+C	 0.0226675534	-0.1125390361	-0.0479546697	 0.35251
+C	-1.0260720283	 0.710403515	 0.0297631614	-0.1824
+C	-2.2473947175	-0.1887464592	 0.139521193	-0.001237
+O	-1.8537178875	-1.3397150278	-0.6170297381	-0.252173
+C	-0.581869869	-1.5146736778	 0.0248041249	-0.029082
+C	-1.0264075112	-1.7456977021	 1.5056668906	-0.268502
+C	-2.2582817439	-0.7905922327	 1.5823292059	 0.129034
+O	-2.173999349	 0.2500448909	 2.5378764065	-0.436347
+H	 1.9797806979	-0.2571495024	 0.82190997	 0.127792
+H	 1.9725306657	-0.2794463844	-0.9367145913	 0.128514
+H	 1.6881724924	 1.2436901086	-0.0709382918	 0.129513
+H	-1.0283547903	 1.7881115012	 0.1126356276	 0.10359
+H	-3.2026832938	 0.2014549639	-0.2084259772	 0.077752
+H	-0.0221814861	-2.3271428555	-0.4397105999	 0.073688
+H	-1.312592697	-2.7884368369	 1.6633319036	 0.099694
+H	-0.2589935141	-1.4726221007	 2.2346404569	 0.098815
+H	-3.1812318664	-1.3684375047	 1.7182234391	 0.073083
+H	-2.2605391228	-0.1382157845	 3.4133094036	 0.284929
+19
+0 4174	3.6404792	1.3508793	1.276943	1.6142	76.02	-0.23618	0.00959	0.24577	1084.5681	0.157347	-422.563352	-422.555326	-422.554382	-422.595537	31.134
+C	-3.9471053123	 0.4300698423	 1.4692364276	-0.407304
+C	-2.4286023648	 0.430224798	 1.3835848417	 0.152948
+O	-1.937457394	-0.9224124112	 1.2915542182	-0.296179
+C	-1.2636467757	-0.9632716455	 0.0128994092	 0.071109
+O	-2.0363321932	-0.1131135647	-0.8000627151	-0.234614
+C	-1.8634084567	 1.038597949	 0.0517122892	-0.035317
+C	-0.3519724449	 1.0892796516	 0.2131663622	-0.219651
+C	 0.0476809621	-0.1854736121	 0.1891170092	 0.356945
+C	 1.374864735	-0.8132328394	 0.4361452219	-0.511335
+H	-4.279434059	-0.1775765672	 2.3155653301	 0.125024
+H	-4.3256595318	 1.4487241816	 1.6087688972	 0.106997
+H	-4.3738803549	 0.0123975117	 0.5538603644	 0.1338
+H	-1.9828674372	 0.914126211	 2.2602100835	 0.077141
+H	-1.2417162629	-1.9881066628	-0.3548988687	 0.087833
+H	-2.3859376673	 1.9077933541	-0.3429476482	 0.088391
+H	 0.2256401628	 1.9743678568	 0.4433811449	 0.103518
+H	 1.3362666044	-1.4615752553	 1.3205779896	 0.141036
+H	 1.6829168007	-1.4460438325	-0.405531149	 0.130798
+H	 2.1515904097	-0.0615644854	 0.5999224321	 0.12886
+19
+0 4175	3.1613928	1.628028	1.4026938	1.1581	75.31	-0.24262	0.01295	0.25557	995.8344	0.159017	-422.579618	-422.572199	-422.571255	-422.611125	29.609
+C	 0.3140788508	 0.1740494374	 0.3974885824	-0.408502
+C	 0.9459909191	-0.3567017923	-0.8827620327	 0.143063
+O	 2.3763002462	-0.4375284958	-0.746449656	-0.295077
+C	 2.7314993974	-1.8179238537	-0.7127415007	 0.182922
+C	 3.2442628464	-2.2716305375	-2.0885623478	-0.274462
+C	 2.0928978643	-2.3653390709	-3.059143843	-0.059532
+C	 0.8405694398	-2.1541391884	-2.6568809092	-0.065236
+C	 0.5867278275	-1.828732649	-1.2030248648	-0.00879
+O	 1.5477675803	-2.5109494448	-0.3848286745	-0.253637
+H	 0.460106436	-0.5365439658	 1.2159055571	 0.131054
+H	 0.775007725	 1.1253064463	 0.6773122593	 0.125309
+H	-0.7600535878	 0.3401610665	 0.260000549	 0.108554
+H	 0.7252267924	 0.302462042	-1.7291804959	 0.08434
+H	 3.4644064949	-1.983030787	 0.0827627683	 0.087129
+H	 3.9922077021	-1.5498749732	-2.4380432074	 0.119165
+H	 3.7573136368	-3.2393004219	-1.9994217048	 0.110076
+H	 2.3164414588	-2.6173935308	-4.0921296626	 0.094589
+H	-0.0021343945	-2.1907514061	-3.3399754516	 0.090922
+H	-0.4098010454	-2.1193115851	-0.8663582649	 0.088116
+19
+0 4176	3.1354382	1.5787196	1.3728109	1.8115	74.64	-0.24327	0.01259	0.25586	994.0781	0.16007	-422.582489	-422.575279	-422.574335	-422.613773	29.514
+O	 0.4933592964	 0.7056594797	 0.5870469501	-0.445205
+C	-0.638609365	-0.0247455699	 1.021175603	 0.165422
+C	-1.8050453642	 0.0106509479	-0.0083416997	-0.281186
+C	-2.7847377974	 1.0576838899	 0.590636434	 0.084321
+C	-3.9939895347	 0.4096554761	 1.2817480583	-0.258962
+C	-3.5353944152	-0.3536866848	 2.5001267011	-0.063651
+C	-2.2829261348	-0.2487410668	 2.9427288699	-0.064301
+C	-1.3079495056	 0.6598136109	 2.233943064	-0.014879
+O	-2.0037813621	 1.7370566758	 1.5906847612	-0.278481
+H	 0.2092096391	 1.6258380467	 0.5182789435	 0.281733
+H	-0.2885749648	-1.0375616577	 1.2315076541	 0.086857
+H	-1.4110386271	 0.3194874671	-0.9786601155	 0.111286
+H	-2.276120955	-0.9674345548	-0.1298832541	 0.107329
+H	-3.1024573799	 1.8097114752	-0.1348874617	 0.078912
+H	-4.7260284668	 1.1769695098	 1.5672066943	 0.114369
+H	-4.5089337265	-0.2599032072	 0.5798637704	 0.10566
+H	-4.2574588452	-0.988075955	 3.0073347515	 0.092469
+H	-1.9273480858	-0.8131294165	 3.7995027129	 0.09316
+H	-0.5710647853	 1.0930803036	 2.9140075627	 0.085148
+19
+0 4177	2.5838792	1.6335939	1.4749493	4.3679	73.74	-0.25833	0.01732	0.27565	998.8475	0.159784	-422.621586	-422.614172	-422.613228	-422.653244	29.445
+C	-2.4300647796	 0.9123446295	 2.4269658775	-0.415375
+C	-2.5912696301	-0.0548112363	 1.2556957316	 0.031254
+C	-1.6557691596	-1.3104570872	 1.304464629	-0.249371
+C	-0.9261778166	-1.2642916104	-0.0737461767	-0.157717
+C	-2.0328729227	-0.7145004348	-0.9957722573	-0.24754
+C	-2.2177658083	 0.5343209202	-0.1237352421	 0.094584
+O	-0.8606453708	 1.0511610843	-0.0355873987	-0.244773
+C	-0.0237663639	-0.0372890819	-0.0015348856	 0.447072
+O	 1.1631252542	 0.0572562022	 0.1022480215	-0.351032
+H	-2.664621146	 0.4153260956	 3.373495488	 0.116979
+H	-1.4063760776	 1.2919107345	 2.4852111683	 0.141557
+H	-3.1014666459	 1.7717377662	 2.3259086143	 0.115254
+H	-3.6373018826	-0.3778227429	 1.2032594312	 0.079585
+H	-0.9502749051	-1.2719102547	 2.138724115	 0.122844
+H	-2.2260026763	-2.2386260439	 1.3955621664	 0.108407
+H	-0.3955769772	-2.1691037101	-0.3603291461	 0.093864
+H	-1.691151736	-0.4811210845	-2.0070897689	 0.118511
+H	-2.9235234057	-1.3460460012	-1.0413836708	 0.108151
+H	-2.85493629	 1.3365766454	-0.4937929766	 0.087748
+19
+0 4178	3.4384558	1.3538682	1.261141	2.686	73.88	-0.23246	-0.01799	0.21447	1069.0034	0.158572	-422.596076	-422.588414	-422.58747	-422.628125	30.119
+C	-4.1049134907	-0.8113094521	-1.3648543475	-0.416495
+C	-2.6624182477	-0.3061102988	-1.3150927818	 0.03897
+C	-1.6143164352	-1.4657575751	-1.273344158	-0.258236
+C	-0.9160518037	-1.2045716707	 0.0855067587	-0.034003
+O	-1.9710559516	-0.6690720453	 0.8929131035	-0.265795
+C	-2.3386317412	 0.4180192108	 0.0185578525	 0.064259
+C	-1.015663802	 1.1978533464	-0.0893211642	-0.353225
+C	-0.0172911864	 0.025313278	-0.112361071	 0.422909
+O	 1.1720960683	 0.0615893977	-0.2728075386	-0.318004
+H	-4.3225932973	-1.4245156217	-0.4842996509	 0.131535
+H	-4.8185685866	 0.0192552205	-1.3873741966	 0.11357
+H	-4.277823018	-1.4248346807	-2.2549284527	 0.116847
+H	-2.4778074403	 0.3587313927	-2.1648520277	 0.076494
+H	-2.1089881822	-2.4402165205	-1.2533245357	 0.113599
+H	-0.9169437539	-1.4558381939	-2.1147171456	 0.118775
+H	-0.4396014401	-2.0558187716	 0.5673176521	 0.100049
+H	-3.1706978418	 0.9664042168	 0.4602898113	 0.084147
+H	-0.9047783958	 1.8338146025	-0.9708803286	 0.127298
+H	-0.844491924	 1.8085738051	 0.8026035708	 0.137307
+19
+0 4179	2.6127267	1.573643	1.4635051	3.6118	74.5	-0.22587	-0.01676	0.20911	1008.585	0.158504	-422.592334	-422.584715	-422.583771	-422.624237	30.186
+C	-2.6061366607	 0.6197142382	 2.5006792014	-0.415325
+C	-2.6437159842	-0.2056518632	 1.225301391	 0.160899
+O	-1.6091501093	-1.2223904332	 1.2702694286	-0.301513
+C	-0.9585877349	-1.2303200927	-0.0181259002	 0.006918
+C	-2.0481681277	-0.7513118269	-0.9803153722	-0.257835
+C	-2.3715975182	 0.4980864471	-0.1198739153	-0.065511
+C	-0.9948445224	 1.1953780121	-0.0682994939	-0.343484
+C	-0.0280900291	-0.0047829628	 0.0325103419	 0.441046
+O	 1.1665572666	 0.0236962003	 0.147668545	-0.326583
+H	-2.7681308622	-0.0310225277	 3.3646150954	 0.132748
+H	-1.6440738099	 1.1191698067	 2.6378313372	 0.128258
+H	-3.3991030006	 1.3749784479	 2.4910037888	 0.115147
+H	-3.619305257	-0.711888552	 1.1673046038	 0.075347
+H	-0.4732053593	-2.1913270272	-0.176860192	 0.091491
+H	-1.6707827448	-0.5100875431	-1.9783183964	 0.109136
+H	-2.8793425822	-1.4555487126	-1.0628031005	 0.113296
+H	-3.1949783545	 1.1234871585	-0.4661237408	 0.075545
+H	-0.7911016899	 1.7361226791	-0.9994245217	 0.129125
+H	-0.8502728798	 1.8998319616	 0.7528529799	 0.131294
+19
+0 4180	2.5636303	1.5572317	1.4486317	3.563	73.88	-0.2295	-0.00607	0.22343000000000002	1004.4821	0.159204	-422.605025	-422.597431	-422.596487	-422.636941	30.314
+O	-2.4252431072	 0.7482388692	 2.4229390643	-0.436953
+C	-2.6275663573	-0.1650327887	 1.3582025062	 0.140606
+C	-1.6307857322	-1.3725995326	 1.3394517818	-0.268988
+C	-0.9384572251	-1.2548228824	-0.0494055013	-0.109464
+C	-2.0905068955	-0.6849208782	-0.908989059	-0.245451
+C	-2.3517475029	 0.532018529	 0.0092005554	-0.039698
+C	-0.9562434775	 1.186076175	 0.0703057323	-0.324962
+C	-0.0200155944	-0.034863404	 0.0535250201	 0.423043
+O	 1.181455743	-0.0283574631	 0.1155006276	-0.335015
+H	-2.5882346652	 0.2881065413	 3.2517148037	 0.28574
+H	-3.6640062249	-0.5314228393	 1.3726695208	 0.067695
+H	-0.9220050148	-1.3056178186	 2.1699083305	 0.114635
+H	-2.1543069237	-2.3298925804	 1.4177925541	 0.103327
+H	-0.42749059	-2.1551110384	-0.3878584138	 0.079003
+H	-1.7826043207	-0.4002732273	-1.9195611366	 0.105805
+H	-2.9443437456	-1.3656467243	-0.9819185632	 0.100646
+H	-3.1498479702	 1.20766874	-0.3000860465	 0.071311
+H	-0.761120535	 1.8035827502	-0.8136006906	 0.121394
+H	-0.7883663406	 1.7995860227	 0.9567147139	 0.147327
+19
+0 4181	2.951502	1.6656744	1.412099	1.7458	74.6	-0.24122	0.00826	0.24947999999999998	995.2815	0.159157	-422.57739	-422.569984	-422.56904	-422.608986	29.518
+C	 0.2871866457	-0.3321233812	-0.2508375196	-0.406414
+C	 0.9999702154	 0.7645667347	 0.5253570066	 0.131079
+O	 2.2601921462	 1.0412447856	-0.1115331477	-0.276685
+C	 3.2184561242	 1.0396489279	 0.9372164437	 0.134192
+O	 2.7892345245	 0.0142126158	 1.809399801	-0.248121
+C	 1.4103270277	 0.3589655623	 1.9755991462	 0.0307
+C	 1.3085250906	 1.5185311331	 2.9770851018	-0.273684
+C	 2.3169058688	 2.5860616277	 2.6206482638	-0.075097
+C	 3.2194139169	 2.3732741858	 1.6649937306	-0.054077
+H	-0.7125912413	-0.5110067748	 0.158878047	 0.110269
+H	 0.1815305821	-0.0459266439	-1.300883592	 0.127274
+H	 0.8609840022	-1.262497349	-0.2038405271	 0.130357
+H	 0.3941559927	 1.6799360023	 0.5391659962	 0.078626
+H	 4.1916872257	 0.7702794855	 0.5214000401	 0.09111
+H	 0.8805299755	-0.5299190592	 2.3244611794	 0.084677
+H	 0.2915906938	 1.9319365077	 2.9705690972	 0.109109
+H	 1.4852678896	 1.1536615049	 3.9982482075	 0.115653
+H	 2.284554945	 3.5234625006	 3.1693113454	 0.095705
+H	 3.9379227049	 3.1273857242	 1.3614906398	 0.095328
+19
+0 4182	2.946505	1.602527	1.3542201	1.2421	74.46	-0.24107	0.01579	0.25686	1003.4467	0.159706	-422.578997	-422.571578	-422.570634	-422.610957	29.752
+O	 0.18244644	 0.2896396073	 0.0524265355	-0.43937
+C	-0.8306570553	-0.1233268391	 0.9557430622	 0.152896
+C	-0.9806091303	 0.8454411136	 2.167817317	-0.263167
+C	-2.4637026414	 1.2725197637	 2.0712929025	 0.0356
+O	-2.7288071348	 1.2128500353	 0.662623152	-0.267712
+C	-2.2375339094	-0.0838677381	 0.3017666288	 0.030578
+C	-3.2157219468	-1.1613035701	 0.8032534011	-0.273747
+C	-3.6934410621	-0.8499983956	 2.199506463	-0.060488
+C	-3.3515968382	 0.287349041	 2.8008629468	-0.060119
+H	-0.0620881875	 1.1669686428	-0.2647729763	 0.280379
+H	-0.5456199838	-1.1333487203	 1.2597270891	 0.088929
+H	-0.734694778	 0.3743882089	 3.1215324959	 0.10789
+H	-0.3071329459	 1.6957501168	 2.0243682688	 0.100719
+H	-2.6458740991	 2.2998861122	 2.3942839683	 0.081519
+H	-2.1441842899	-0.1190401363	-0.7862358916	 0.081241
+H	-4.075105364	-1.2248833426	 0.1221840802	 0.115229
+H	-2.7333660753	-2.1475193387	 0.7705343889	 0.108317
+H	-4.334800646	-1.5773832377	 2.6900086017	 0.091594
+H	-3.6642585225	 0.5219561168	 3.8139566165	 0.089711
+19
+0 4183	2.5325781	1.5927864	1.1545252	2.754	75.26	-0.24244	-0.02253	0.21991	1103.3102	0.156636	-422.581401	-422.572626	-422.571682	-422.615001	33.001
+C	-0.1819786197	-2.4029646745	 0.4989402715	-0.486029
+C	-0.8104459358	-1.2316105421	-0.2148606514	 0.232675
+C	-1.8012235883	-1.4621288252	-1.3507389207	-0.309396
+C	-2.2616123433	-0.7729740197	-0.1033643197	-0.092638
+C	-2.3349989146	 0.7576899376	-0.1953957866	-0.274504
+C	-0.8726412324	 1.2390804081	-0.1400850889	 0.077165
+O	-0.5783155307	 2.3189777428	-0.9861771204	-0.437296
+C	-0.0021598229	 0.010668758	-0.4270101177	 0.295471
+O	 1.1600948949	 0.0941169812	-0.7518474638	-0.35088
+H	 0.0986462334	-2.1434013186	 1.525293222	 0.124014
+H	-0.8706388399	-3.2519296408	 0.541828724	 0.117906
+H	 0.724642539	-2.7230735653	-0.0239629469	 0.14316
+H	-1.715702408	-0.8814764113	-2.2646330628	 0.127139
+H	-2.0832675748	-2.4983016502	-1.5067768708	 0.121676
+H	-2.9421048673	-1.2934570088	 0.5606670855	 0.093675
+H	-2.7926350414	 1.0858771845	-1.1336855896	 0.122177
+H	-2.9230328744	 1.1788079641	 0.6223941338	 0.110903
+H	-0.636730437	 1.487692471	 0.9135031487	 0.093457
+H	 0.3615272132	 2.2311253994	-1.2019124461	 0.291325
+19
+0 4184	2.5554662	1.6280412	1.1400844	2.6033	75.69	-0.2407	-0.02043	0.22027	1103.6935	0.156607	-422.583737	-422.575088	-422.574144	-422.61666	33.108
+C	-0.5439973443	 2.2961419782	 1.0636866179	-0.401461
+C	-0.8888145136	 1.1839473169	 0.075414322	-0.111292
+C	-2.359145355	 0.6880813208	 0.1110178427	-0.23394
+C	-2.3145844012	-0.8016424006	-0.2300323805	-0.111989
+C	-1.5598205882	-1.1845334907	-1.4741237029	-0.348063
+C	-0.8678589324	-1.2787869846	-0.1298591538	 0.355394
+O	-0.4523634529	-2.5039459308	 0.3518736037	-0.475226
+C	-0.0845471045	-0.0957415878	 0.3164154706	 0.338978
+O	 0.9714106766	-0.1981612971	 0.902864975	-0.361719
+H	-0.7896550422	 1.997264258	 2.0876917471	 0.124156
+H	 0.5253598536	 2.5193722933	 1.0317084918	 0.136369
+H	-1.0994660888	 3.2097773426	 0.8325105139	 0.115122
+H	-0.6414898865	 1.5278106649	-0.9389785232	 0.107225
+H	-2.7596486768	 0.8212351708	 1.1225487884	 0.111079
+H	-3.0045212607	 1.2514953222	-0.5717190595	 0.105495
+H	-3.1187923876	-1.4489357166	 0.1000496191	 0.1055
+H	-1.7934603212	-2.1552681166	-1.8978548336	 0.133979
+H	-1.2689055954	-0.4305443635	-2.1995019308	 0.115422
+H	 0.366308351	-2.3150260894	 0.8364591821	 0.294969
+19
+0 4185	2.5988923	1.6040952	1.130892	2.593	75.07	-0.23726	-0.02586	0.2114	1120.703	0.15573	-422.581596	-422.572651	-422.571707	-422.61508	33.132
+C	-0.5755075979	 2.3324098461	 1.1315517724	-0.401352
+C	-0.8494023847	 1.2241713057	 0.1179176176	-0.102004
+C	-2.3015165542	 0.6855570276	 0.0810708599	-0.265379
+C	-2.1588556293	-0.7815107351	-0.2868667652	-0.016494
+O	-1.3145376874	-0.9893116093	-1.4179960568	-0.290675
+C	-0.7669894873	-1.241453531	-0.0988126247	 0.292566
+C	-0.2996470777	-2.6283844891	 0.2193316582	-0.494443
+C	 0.0098603172	-0.0283125248	 0.3648253728	 0.373593
+O	 1.0911596653	-0.0574077588	 0.8973892179	-0.326041
+H	-0.8648072698	 2.0227824435	 2.1414019339	 0.118233
+H	 0.4908430963	 2.5706375259	 1.1517073804	 0.138749
+H	-1.1325561938	 3.2402922423	 0.8820706275	 0.114364
+H	-0.5801163683	 1.577417524	-0.8853330493	 0.120989
+H	-2.7673490864	 0.7682412784	 1.0707100961	 0.110328
+H	-2.9378432675	 1.2235086535	-0.628108966	 0.116782
+H	-2.9963334721	-1.4695727221	-0.1953247723	 0.10147
+H	-0.2291782476	-2.7696791016	 1.3019322504	 0.135108
+H	-0.9879395204	-3.3694296748	-0.1935342898	 0.129691
+H	 0.6960229555	-2.7987820706	-0.200673293	 0.144515
+19
+0 4186	2.4975291	1.6580579	1.1822972	1.9519	75.7	-0.23316	-0.0196	0.21356	1098.0384	0.155604	-422.570889	-422.561942	-422.560998	-422.604362	33.243
+C	-0.6227185591	 2.2049541971	-1.1064808669	-0.392523
+C	-0.9288080456	 1.1762772506	-0.0283460193	 0.011582
+O	-2.2802856597	 0.7254475902	-0.1323775227	-0.273892
+C	-2.3250456967	-0.6739800614	 0.0015602302	 0.070097
+C	-1.7881830569	-1.2615054636	 1.2618926209	-0.360383
+C	-0.9364895721	-1.2759960605	-0.0223607921	 0.178171
+C	-0.511556803	-2.5691218723	-0.6683174859	-0.479475
+C	-0.0479611537	-0.0828991201	-0.1470826563	 0.329544
+O	 1.1363741909	-0.0805562809	-0.3782655136	-0.333699
+H	-0.8152237882	 1.7865122295	-2.0982654479	 0.12543
+H	-1.2441268719	 3.0942697546	-0.9761735248	 0.126103
+H	 0.4312378333	 2.4884924363	-1.0448487453	 0.139317
+H	-0.7603485648	 1.6224910244	 0.9647825195	 0.104771
+H	-3.1686463504	-1.1144364135	-0.5174930993	 0.112868
+H	-1.5158991086	-0.601387757	 2.0783123043	 0.128426
+H	-2.1601498782	-2.2334347944	 1.5684387869	 0.126049
+H	 0.4226098223	-2.9270874112	-0.2245614097	 0.14064
+H	-1.2719048205	-3.3445482829	-0.5379145436	 0.116181
+H	-0.3381585369	-2.4369324348	-1.7408863346	 0.130794
+19
+0 4187	3.0609951	1.4603535	1.2685018	2.9377	76.04	-0.24482	-0.00783	0.23699	1065.4265	0.1575	-422.564382	-422.556243	-422.555298	-422.596441	32.227
+C	-3.5491154099	 2.3050806582	 3.6987210248	-0.484864
+C	-2.6173245534	 1.7277444228	 2.6628783429	 0.368851
+O	-1.1976025851	 1.8862977318	 2.9794523944	-0.304952
+C	-1.7377750875	 2.5983655276	 1.8564846963	-0.011071
+C	-1.29604072	 2.1364325035	 0.4884058414	-0.274062
+C	-1.1347215396	 0.6052013374	 0.4188243075	 0.067522
+O	 0.0803839951	 0.18883799	 1.0380361007	-0.439334
+C	-2.3227928835	-0.1031269407	 1.0342581155	-0.108882
+C	-2.9849274871	 0.4106390437	 2.0724716921	-0.083893
+H	-3.6521942298	 1.6214127889	 4.5483386357	 0.131088
+H	-3.1704529712	 3.2595325352	 4.0712451827	 0.130799
+H	-4.5458839957	 2.4646446878	 3.2736383923	 0.127162
+H	-1.8025305108	 3.6769734222	 2.0078228972	 0.090519
+H	-2.0387284624	 2.4741495286	-0.245990243	 0.107534
+H	-0.3369895041	 2.5931964184	 0.2212908474	 0.11834
+H	-1.0337243118	 0.3081360443	-0.6297955996	 0.084935
+H	 0.0031999845	 0.4716878178	 1.9604681243	 0.287376
+H	-2.5860935218	-1.0807837322	 0.6418979329	 0.101038
+H	-3.8137324758	-0.1223489453	 2.5305509043	 0.091895
+19
+0 4188	3.4028941	1.3048109	1.0959106	1.6177	77.66	-0.23519	0.00778	0.24297000000000002	1153.8357	0.155975	-422.543168	-422.53457	-422.533626	-422.575973	33.315
+C	 0.0656265989	 0.4204667814	-0.1793856335	-0.39609
+C	 1.4755784688	-0.042680189	 0.1701762316	 0.090283
+O	 1.3231444565	-1.1341450847	 1.0806779983	-0.273605
+C	 2.4954738413	-1.5871960835	 1.6899206133	 0.056533
+C	 2.673026636	-1.2653939419	 3.1585453781	-0.363305
+C	 3.5215122091	-0.5806804201	 2.0993232784	 0.322065
+O	 4.8568967026	-0.999992924	 1.9725002595	-0.46262
+C	 3.2456957314	 0.8194298642	 1.6806277293	-0.160052
+C	 2.3195757053	 1.0681323086	 0.7588436919	-0.062131
+H	-0.4404757062	 0.8029700968	 0.7118343262	 0.125605
+H	 0.0990627795	 1.2136911666	-0.9323363909	 0.113759
+H	-0.5164846734	-0.4148655811	-0.5764801051	 0.126071
+H	 1.9673684568	-0.4051533852	-0.7503691288	 0.084216
+H	 2.8566247744	-2.5479003964	 1.3287561134	 0.100494
+H	 1.8812584423	-0.6939548214	 3.6290497245	 0.121333
+H	 3.1668927716	-2.0060452676	 3.7788250454	 0.110862
+H	 5.3465921182	-0.6551313736	 2.7276234904	 0.282743
+H	 3.8483204989	 1.6126627515	 2.1169310941	 0.088318
+H	 2.133387948	 2.0757474993	 0.3972843238	 0.095521
+19
+0 4189	2.6896574	1.4287699	1.2748091	2.4741	76.23	-0.24273	0.00287	0.2456	1075.8884	0.157385	-422.556444	-422.547962	-422.547018	-422.589189	33.177
+O	 0.5121980552	 0.2327158076	 0.6521397503	-0.43839
+C	 0.0186648452	 1.5019966904	 1.0924567705	 0.083698
+C	-1.3052775864	 1.881203075	 0.4074780052	-0.253876
+C	-2.5038145486	 1.134016557	 0.9901558091	-0.084196
+C	-3.4417432729	 1.8231356768	 1.9680421091	-0.352164
+C	-2.4651593359	 0.774502316	 2.4466850069	 0.380929
+O	-2.9787545245	-0.4970113913	 2.7654488686	-0.472035
+C	-1.2466013344	 1.1642111256	 3.2092643058	-0.139069
+C	-0.1115095503	 1.5130831474	 2.6024259289	-0.091905
+H	-0.0288599852	-0.442642262	 1.076614178	 0.286068
+H	 0.7894200598	 2.2147659786	 0.7812307446	 0.083637
+H	-1.4498648187	 2.9632370171	 0.5128099049	 0.098739
+H	-1.2087203012	 1.6745467165	-0.6622607981	 0.10977
+H	-2.9695726133	 0.3869828659	 0.3567345891	 0.101176
+H	-3.2485160789	 2.8633482941	 2.2118534888	 0.112189
+H	-4.4877489022	 1.5367695261	 1.9425280155	 0.112107
+H	-3.3985029687	-0.440119124	 3.6314023308	 0.280877
+H	-1.3095875356	 1.1213529994	 4.2956736714	 0.085678
+H	 0.7759175466	 1.7506325139	 3.1820505106	 0.096767
+19
+0 4190	2.875016	1.2869897	1.02886	2.4576	77.1	-0.23984	-0.01767	0.22217	1200.613	0.156444	-422.564173	-422.555667	-422.554723	-422.597274	32.076
+C	 2.5699363557	 1.5096146672	-0.5129818698	-0.404739
+C	 2.0406893205	 0.1406920224	-0.1235418878	 0.130131
+C	 2.7913154064	-0.5572800936	 1.0362744846	-0.325326
+C	 2.7685931806	-2.0274006007	 0.6653363107	 0.211477
+C	 1.4243706768	-2.6150768451	 0.223106361	-0.379999
+C	 2.3310396857	-2.0422849694	-0.809278344	 0.091136
+O	 2.1626059826	-0.7389150996	-1.2584810552	-0.262508
+C	 3.839206908	-2.9252748801	 1.1273440133	 0.077486
+O	 4.7790819356	-2.5857882155	 1.8071180571	-0.270893
+H	 2.4574722097	 2.2095656285	 0.3206781373	 0.121085
+H	 3.6295198962	 1.4486097841	-0.7779869937	 0.128352
+H	 2.0194480036	 1.9053322155	-1.3708279253	 0.128855
+H	 0.9744162771	 0.2268326411	 0.1319721622	 0.078677
+H	 3.8340398964	-0.2303963905	 1.0937661556	 0.128416
+H	 2.321861996	-0.3446266996	 2.0007901733	 0.113277
+H	 1.3405837746	-3.697267767	 0.2561613647	 0.125409
+H	 0.5237862909	-2.0841482346	 0.5104149217	 0.130321
+H	 2.8001660932	-2.6802227073	-1.5496254159	 0.115988
+H	 3.7299855504	-3.9812730857	 0.78417851	 0.062855
+19
+0 4191	3.5061564	1.188047	1.0284773	3.305	76.66	-0.24111	-0.02455	0.21656	1207.5367	0.156113	-422.564367	-422.555794	-422.55485	-422.597485	32.245
+C	 1.3403452419	-0.7445216297	-0.8363592986	-0.405985
+C	 1.3513849889	 0.1508889251	 0.3902793224	 0.127775
+C	 2.0132748421	 1.5385923525	 0.1950506275	-0.255655
+C	 2.6743469784	 1.8238907309	 1.5304179454	-0.096591
+C	 1.8785838607	 1.6079019244	 2.7869841099	-0.344829
+C	 2.7111075711	 0.4692240757	 2.2303596487	 0.335177
+O	 2.0943909116	-0.5008922953	 1.4355477456	-0.317722
+C	 3.91811353	-0.0007806747	 2.9437433163	 0.08707
+O	 4.5358325079	 0.6667294744	 3.7395294627	-0.275127
+H	 0.9046641337	-1.7181525098	-0.5964225448	 0.130934
+H	 0.7454417463	-0.289669314	-1.6345542215	 0.119435
+H	 2.3584624158	-0.9023611572	-1.2049265557	 0.124388
+H	 0.3187815124	 0.2918887328	 0.7411948978	 0.080633
+H	 2.7780962646	 1.4936762634	-0.5881635824	 0.110414
+H	 1.2754230269	 2.2906322652	-0.1003698822	 0.112897
+H	 3.5441803006	 2.4684403338	 1.5731974183	 0.114428
+H	 2.2688544888	 2.0585853668	 3.69252453	 0.143379
+H	 0.7993363192	 1.5144743464	 2.7346348285	 0.123205
+H	 4.2234846489	-1.0335922307	 2.6702587019	 0.086174
+19
+0 4192	2.9861459	1.2280978	0.9913807	2.6989	76.45	-0.25568	-0.03465	0.22103	1232.653	0.156301	-422.571562	-422.563013	-422.562069	-422.604733	32.049
+C	-0.0112581023	-0.0851736086	-0.2872662781	-0.408562
+C	 1.4581563336	 0.0492909809	 0.1061016452	 0.029134
+C	 1.9758128872	 1.5111022332	 0.1332931638	-0.255887
+C	 3.1308875127	 1.4899630089	 1.1136033887	-0.006815
+O	 4.034831283	 0.4047336744	 0.9479938734	-0.288358
+C	 3.0082956291	 0.269544313	 1.953625372	 0.309237
+C	 1.7917253357	-0.5133561731	 1.5120354449	-0.307051
+C	 3.5078625491	 0.2583712802	 3.352275082	 0.090824
+O	 2.9039994286	-0.2193856377	 4.2804210258	-0.260431
+H	-0.6591411451	 0.4527299096	 0.4144389537	 0.115211
+H	-0.1934988596	 0.3198512426	-1.2882765625	 0.116171
+H	-0.3242139787	-1.1343776007	-0.2919053904	 0.119399
+H	 2.0680495121	-0.4987109104	-0.6184048153	 0.096119
+H	 2.272086515	 1.8714762116	-0.8569706512	 0.115691
+H	 1.208408602	 2.196669786	 0.5162382227	 0.108139
+H	 3.5747668086	 2.4121819632	 1.4830040321	 0.103201
+H	 1.9665702172	-1.5929859128	 1.5019029435	 0.117455
+H	 0.9846186757	-0.3219194402	 2.228950092	 0.121696
+H	 4.5037911059	 0.7393027997	 3.4712379476	 0.084824
+19
+0 4193	2.8246714	1.2487905	0.9982312	2.9837	76.59	-0.24652	-0.0156	0.23092	1209.176	0.157175	-422.57593	-422.567455	-422.566511	-422.60894	32.268
+O	-1.8693095196	 2.4601394844	 0.7828798792	-0.433331
+C	-1.3084772631	 1.1651448131	 0.9141659724	 0.110428
+C	-1.9412454855	 0.2420861468	-0.1462715189	-0.224466
+C	-1.8951650764	-1.1556711843	 0.4435527587	-0.079408
+C	-0.6369952662	-1.6318730379	 1.0875046831	-0.340611
+C	-1.7116327663	-1.000038614	 1.967003483	 0.260246
+C	-1.5976486433	 0.4811491174	 2.2738408675	-0.325558
+C	-2.461936031	-1.8846005939	 2.8760014573	 0.083507
+O	-2.9924709962	-1.5317382537	 3.9021074575	-0.271608
+H	-1.4207643648	 3.0462982555	 1.4002703647	 0.284383
+H	-0.2212732892	 1.2159565469	 0.7530695653	 0.069635
+H	-2.9821248046	 0.5526337282	-0.2881605605	 0.122755
+H	-1.4373201397	 0.3198107612	-1.1145714468	 0.108703
+H	-2.5817578025	-1.9031672217	 0.060768254	 0.098764
+H	-0.505885895	-2.7053151248	 1.1835914455	 0.122065
+H	 0.2902278325	-1.0849480833	 0.9531219861	 0.124993
+H	-2.5582155725	 0.8384176444	 2.6591490152	 0.128402
+H	-0.8358273866	 0.7058793217	 3.0277277158	 0.100447
+H	-2.51718326	-2.9462941859	 2.5347786308	 0.060653
+19
+0 4194	2.4012203	1.6114074	1.0687402	2.116	76.43	-0.23782	-0.0146	0.22322	1144.3061	0.157118	-422.570105	-422.561843	-422.560899	-422.602847	31.725
+C	-2.8450202327	-2.5249033079	-0.9032048552	-0.399717
+C	-2.0270436529	-1.2439774713	-0.8693577905	 0.123972
+C	-0.8424762506	-1.3084102489	 0.1110855777	-0.316931
+C	-0.0595782454	-0.002846328	 0.0780844734	 0.381359
+O	 1.1511847943	 0.0313374041	 0.0942773891	-0.327817
+C	-0.8816961455	 1.2311874214	-0.078874859	-0.148301
+C	-1.9757158909	 1.5940651013	 0.9306613784	-0.308932
+C	-2.3556914588	 1.0828371509	-0.4171522646	 0.091673
+O	-2.9125911553	-0.1964933736	-0.470619117	-0.269755
+H	-3.2447965261	-2.7482366364	 0.0906792605	 0.125381
+H	-3.6844691877	-2.4213548033	-1.595709357	 0.12764
+H	-2.2248716068	-3.3652769636	-1.2277544663	 0.121047
+H	-1.6413536234	-1.028841592	-1.8790311378	 0.078989
+H	-1.2408976637	-1.4852692709	 1.1186070358	 0.123192
+H	-0.1530956689	-2.1222804103	-0.1280782219	 0.123115
+H	-0.3338432997	 2.0633548961	-0.5060268478	 0.112871
+H	-2.1394394837	 0.9209883631	 1.7642344187	 0.131082
+H	-2.08922234	 2.6476511085	 1.1581614479	 0.127086
+H	-2.7734488224	 1.7692934708	-1.1501137644	 0.104045
+19
+0 4195	2.3763433	1.6687839	1.075652	4.4919	75.65	-0.25419	0.0092	0.26339	1138.9542	0.157965	-422.592696	-422.584464	-422.58352	-422.625639	31.32
+C	-2.2780179801	 2.6974297852	 1.2107689016	-0.399017
+C	-1.7631743868	 1.2716948847	 1.106724092	 0.136681
+C	-2.8560952892	 0.2358925192	 0.8564565961	-0.235962
+C	-2.2491362804	-1.1410806465	 0.6080885861	-0.053865
+C	-2.0098087105	-1.5908833723	-0.8018776989	-0.279584
+C	-0.8354169751	-1.1620337422	 0.0644166365	-0.157773
+C	-0.1436440642	 0.1175438647	-0.2810680077	 0.410398
+O	 0.9155789694	 0.1660118342	-0.8454980807	-0.334071
+O	-0.795587017	 1.2715215861	 0.0278587355	-0.248779
+H	-2.9751003018	 2.7879497	 2.0492941914	 0.118386
+H	-1.449891234	 3.3927090031	 1.3677385985	 0.135196
+H	-2.7985658844	 2.9849124948	 0.2921960713	 0.128783
+H	-1.2256347285	 1.0067401603	 2.0279997006	 0.089195
+H	-3.5204937353	 0.2066033099	 1.7258312841	 0.110649
+H	-3.4639423197	 0.5576528667	 0.0027382441	 0.110545
+H	-2.4919964291	-1.9105797567	 1.3330090523	 0.09612
+H	-2.0793574577	-2.6459513699	-1.03976552	 0.124602
+H	-2.3152771945	-0.9273647044	-1.6043916778	 0.130261
+H	-0.151892411	-1.9445124467	 0.3700034849	 0.118233
+19
+0 4196	2.3379987	1.5899789	1.0739939	3.1773	75.51	-0.24364	-0.02609	0.21755	1148.7111	0.157516	-422.57593	-422.5677	-422.566756	-422.608705	31.394
+C	-2.7429063685	 2.6273606188	-0.9691047747	-0.405252
+C	-1.9600498983	 1.3120691781	-0.9952134797	 0.016301
+C	-2.9026992385	 0.0945810108	-0.8964715944	-0.226381
+C	-2.2157499872	-1.2095957014	-0.5301057677	 0.029732
+O	-1.8584356214	-1.3583454719	 0.8392617996	-0.241196
+C	-0.7905621148	-1.2548884275	-0.114506481	-0.057947
+C	-0.0189277981	 0.0335316861	-0.0730768051	 0.386386
+O	 1.1801219468	 0.0502234794	-0.2335634974	-0.315967
+C	-0.8742842318	 1.273060798	 0.1064398304	-0.316307
+H	-3.2564571033	 2.7569350105	-0.009450588	 0.120087
+H	-2.0790319629	 3.4854184761	-1.1134285212	 0.120351
+H	-3.500499621	 2.6517613917	-1.7597058316	 0.116105
+H	-1.437843729	 1.2475283021	-1.9601030284	 0.087854
+H	-3.6706736313	 0.280630451	-0.1341286195	 0.11871
+H	-3.4332150186	-0.033594643	-1.8465503643	 0.107656
+H	-2.6250533018	-2.1171660736	-0.9745286433	 0.105263
+H	-0.195573271	-2.1537961419	-0.2621625647	 0.107686
+H	-1.3520034472	 1.2452973264	 1.0931350037	 0.129204
+H	-0.2244211922	 2.1498489603	 0.0539447572	 0.117714
+19
+0 4197	2.3470194	1.5401874	1.0446099	2.9162	75.27	-0.23774	-0.01467	0.22307000000000002	1152.0371	0.158043	-422.581947	-422.573737	-422.572793	-422.614633	31.898
+O	-1.8813291187	 2.4334052999	 2.0104872409	-0.431955
+C	-1.7546430651	 1.2568416607	 1.2243213144	 0.094201
+C	-1.7770658971	-0.0089923673	 2.0908008014	-0.236986
+C	-1.6213775803	-1.2867445891	 1.2841909304	-0.043836
+C	-2.2925925114	-1.4334409608	-0.0448536159	-0.291636
+C	-0.7752814983	-1.2556746344	 0.0234315252	-0.115271
+C	-0.1598024452	 0.0255370647	-0.4351421983	 0.374821
+O	 0.6388773887	 0.0520679318	-1.3447661365	-0.326882
+C	-0.4999351712	 1.3008499083	 0.3441318921	-0.315958
+H	-1.117900651	 2.4802038014	 2.5972068819	 0.2757
+H	-2.6456779348	 1.2760026757	 0.587634313	 0.099498
+H	-0.9536994144	 0.0569685069	 2.8175904283	 0.09011
+H	-2.7078542361	-0.029151751	 2.6681424187	 0.113775
+H	-1.5352736836	-2.1902712437	 1.8803422557	 0.096994
+H	-2.6400366684	-2.4141372768	-0.3484778333	 0.126065
+H	-2.8903516169	-0.617463902	-0.4336130668	 0.129479
+H	-0.1861735291	-2.1261923372	-0.2419130275	 0.108198
+H	 0.371761918	 1.4696178334	 0.9964815978	 0.11842
+H	-0.528951625	 2.1443110695	-0.3502377017	 0.135264
+19
+0 4198	2.3467236	1.5340331	1.0129162	0.9778	77.15	-0.23925	-0.00154	0.23770999999999998	1188.3939	0.156907	-422.553882	-422.54529	-422.544346	-422.586968	32.676
+C	 1.4070591954	 0.666268248	-0.5548066834	-0.491233
+C	 0.0908765191	 0.0679966214	-0.1452296972	 0.319206
+C	-0.1020511008	-1.2364698757	 0.0663913358	-0.202189
+C	-1.4213795262	-1.8444820214	 0.4880840839	 0.081701
+O	-1.2315149043	-3.0694595505	 1.1884246866	-0.431471
+C	-2.2766457632	-0.86086327	 1.3080105484	-0.256518
+C	-2.2558222786	 0.5517981258	 0.7394648775	 0.024971
+O	-1.3427215157	 1.4711065491	 1.3540599782	-0.257848
+C	-1.0603909706	 1.0055307045	 0.0181641964	-0.048467
+H	 1.7440857939	 1.4050073341	 0.1828930476	 0.139145
+H	 2.1821116373	-0.0977707588	-0.6557883345	 0.124292
+H	 1.3224604401	 1.196125084	-1.5121950417	 0.125816
+H	 0.7099355862	-1.9476068658	-0.0719657325	 0.092899
+H	-1.9776255504	-2.1425635582	-0.4115455715	 0.102892
+H	-0.7169499603	-2.8719174322	 1.9794942184	 0.277118
+H	-3.3003336263	-1.2389227266	 1.3811203961	 0.107613
+H	-1.871792569	-0.81604038	 2.3259281934	 0.109033
+H	-3.21748373	 0.9960784303	 0.4852775325	 0.093769
+H	-1.1568942366	 1.783113962	-0.740820964	 0.089271
+19
+0 4199	2.4318282	1.7371438	1.3777428	3.1502	74.12	-0.25244	0.07156	0.324	1015.8488	0.157183	-422.530854	-422.522903	-422.521959	-422.563013	30.97
+C	 3.0719174563	 1.3078168433	-0.1929846437	-0.392658
+C	 1.997071724	 0.2128836045	-0.1652431305	-0.106436
+C	 2.210883586	-0.8880309144	-1.246415869	-0.260484
+C	 2.8790021217	-2.0403030666	-0.5166884732	 0.046411
+O	 4.0167612952	-1.6451897301	 0.2581204325	-0.255029
+C	 2.7631667582	-1.8425657371	 0.9334806843	-0.052436
+C	 2.0087486196	-0.5675432481	 1.1634785872	 0.472483
+C	 0.934589619	-0.4917141917	 2.163795135	-0.260737
+O	 2.1947530754	 0.1463488527	 2.3852014295	-0.282838
+H	 2.9348868523	 1.9969906566	 0.6443579612	 0.127788
+H	 4.0699694468	 0.8708389857	-0.1176762588	 0.141879
+H	 3.0100144126	 1.8790140609	-1.125034581	 0.10458
+H	 1.0189123467	 0.6841340403	-0.302035961	 0.076777
+H	 1.2541196255	-1.2359116595	-1.6530853571	 0.104022
+H	 2.8122796733	-0.5286464813	-2.087441222	 0.113152
+H	 2.9427524715	-3.0268529133	-0.969158583	 0.096765
+H	 2.7405935816	-2.6463407652	 1.6642346989	 0.099499
+H	 0.0925976539	 0.1773952005	 1.9894554833	 0.114324
+H	 0.7219494505	-1.3428428171	 2.8108293573	 0.112938
+19
+0 4200	2.4657334	1.8260663	1.2408116	1.9357	74.51	-0.23229	0.08099	0.31328	1043.2315	0.156694	-422.523736	-422.515683	-422.514739	-422.556091	31.357
+C	 0.0934662726	 0.3132387693	-0.0526242138	-0.397209
+C	 1.5783542366	 0.0328540675	-0.1992401609	 0.031456
+O	 1.7706692901	-1.3569741352	-0.5047588648	-0.275482
+C	 2.8635543138	-1.4954551603	-1.3735089035	 0.118369
+C	 4.1813754571	-0.8951973102	-0.9714071951	-0.343473
+C	 3.2599950837	-0.1581500091	-1.9364460343	-0.160627
+C	 2.2799558106	 0.8004842074	-1.3330032668	 0.414464
+C	 2.3678961214	 2.2598873148	-1.3897988285	-0.251905
+O	 1.4717462243	 1.5441292267	-2.2511925904	-0.271169
+H	-0.3291986949	-0.3357246617	 0.7186693194	 0.124513
+H	-0.074987872	 1.3533382632	 0.2423811876	 0.116562
+H	-0.4242367619	 0.1334319029	-0.9964787869	 0.13892
+H	 2.0919868959	 0.2598594722	 0.7479896642	 0.080457
+H	 2.8142243006	-2.4089431493	-1.9534366719	 0.106656
+H	 4.307767699	-0.516649848	 0.0372497761	 0.120464
+H	 5.0768119208	-1.3299169819	-1.4021108229	 0.118069
+H	 3.5524265745	-0.0004743713	-2.9667331274	 0.102851
+H	 1.8888349323	 2.8663409864	-0.6209222892	 0.111647
+H	 3.2167500055	 2.7306175468	-1.8841085209	 0.115436
+19
+0 4201	2.4439446	1.7192781	1.3979115	3.0978	74.73	-0.25201	0.06327	0.31528	1009.123	0.157694	-422.532709	-422.524802	-422.523858	-422.564698	31.298
+O	 0.493069839	 0.7236682599	-0.0373282449	-0.416237
+C	-0.7497757656	 0.7191553503	 0.6582098584	-0.026455
+C	-1.3532193972	 2.1337534773	 0.8293802375	-0.244901
+C	-2.2172223075	 2.3702483202	-0.4070578012	-0.038981
+C	-1.6199361018	 2.0618189798	-1.7546407025	-0.295258
+C	-2.4803162315	 1.0283180151	-1.060866091	-0.130682
+C	-1.7729867215	-0.0023875142	-0.2296611696	 0.516996
+C	-2.4342185937	-1.2401383058	 0.206872782	-0.266091
+O	-1.4056108955	-1.2599154684	-0.7853552906	-0.27887
+H	 1.118335353	 1.2335731398	 0.4876034468	 0.283756
+H	-0.6325935504	 0.2080753977	 1.623228632	 0.069445
+H	-1.9826596717	 2.1578470068	 1.7269657698	 0.10199
+H	-0.5666791055	 2.8860257912	 0.9638303641	 0.091713
+H	-2.9997584606	 3.1181285176	-0.3458244391	 0.083429
+H	-2.0650468733	 2.5553886834	-2.6118934123	 0.107216
+H	-0.5554339789	 1.8787595754	-1.8286614191	 0.140681
+H	-3.4439917928	 0.771527836	-1.4849648516	 0.082985
+H	-2.1722116524	-1.6910863391	 1.163891124	 0.109108
+H	-3.4380316519	-1.467362333	-0.1518200726	 0.110156
+19
+0 4202	2.3953706	1.7864782	1.2256719	2.4785	74.43	-0.26015	0.07108	0.33123	1047.0711	0.157682	-422.538135	-422.530202	-422.529258	-422.570326	31.38
+O	 0.1745187228	 0.0017721589	-0.0163531526	-0.430628
+C	-1.0852738912	 0.6410963969	 0.0268358987	 0.043242
+C	-1.0692259236	 2.0539436003	 0.6741199928	-0.284506
+C	-2.4622693957	 2.2274290697	 1.2408526351	 0.03772
+O	-3.505607782	 1.8856943916	 0.3168020064	-0.266667
+C	-3.1215014325	 0.9156808681	 1.3093903503	-0.038786
+C	-2.1862266649	-0.1283181142	 0.7888810405	 0.330949
+C	-2.6420997395	-1.4928363867	 0.3597956593	-0.313682
+C	-1.8605607003	-1.3341585455	 1.6394732075	-0.327801
+H	 0.5238986514	-0.021525519	 0.8813273247	 0.277404
+H	-1.3858220412	 0.7303688833	-1.0199722255	 0.112767
+H	-0.3411477255	 2.080249488	 1.4967481201	 0.093619
+H	-0.7878156931	 2.8327944847	-0.0397747672	 0.117639
+H	-2.6915696745	 3.0410108151	 1.9245665321	 0.094699
+H	-3.8865733614	 0.6665352001	 2.0411781385	 0.092623
+H	-3.6995498317	-1.7267206026	 0.4230266215	 0.114937
+H	-2.1284779159	-1.9433073845	-0.4835152694	 0.124116
+H	-2.3788463565	-1.4516138817	 2.5857987401	 0.111632
+H	-0.8357925748	-1.6888252926	 1.6389554671	 0.110724
+19
+0 4203	2.360409	1.50249	1.2203395	0.8988	74.4	-0.25674	-0.03044	0.22630000000000003	1098.8222	0.15651	-422.564314	-422.555856	-422.554912	-422.597731	31.473
+C	 1.0616624388	-0.7400923452	-0.9233872784	-0.41119
+C	 0.9348720433	 0.2546732555	 0.2359456993	 0.00801
+C	 1.4017086426	-0.3447026281	 1.5968869835	-0.261729
+C	 2.799088473	 0.1915650203	 1.8155726943	 0.059394
+O	 3.6671124505	 0.0326239482	 0.6781794292	-0.259329
+C	 3.0494400729	 1.3032833343	 0.8918121437	 0.03143
+C	 1.8114412659	 1.520168565	 0.0247117937	-0.134585
+C	 1.1376026637	 2.8233367629	 0.4165715675	 0.138435
+O	 0.0103000853	 2.9306632772	 0.825608198	-0.2364
+H	 0.4350821712	-1.6206967714	-0.7463120356	 0.111527
+H	 0.7364891353	-0.2873174982	-1.8665534154	 0.108972
+H	 2.0961416012	-1.0734317727	-1.0398861796	 0.137729
+H	-0.106716549	 0.5739445771	 0.3203834462	 0.102661
+H	 0.7625134228	-0.0028900426	 2.4190969736	 0.114218
+H	 1.3735960225	-1.4391212386	 1.5929831805	 0.11012
+H	 3.2895259846	 0.1103215948	 2.7823632568	 0.097679
+H	 3.7282550554	 2.1259266766	 1.1071864471	 0.097934
+H	 2.1162766003	 1.6394382774	-1.0258226388	 0.104056
+H	 1.7843345698	 3.7236155876	 0.2955017545	 0.081068
+19
+0 4204	2.425968	1.438075	1.023268	1.9463	76.07	-0.24467	-0.02803	0.21664	1185.4844	0.155976	-422.554782	-422.546123	-422.545179	-422.588745	31.966
+C	 0.5467935101	 1.0542979383	 0.2121619497	-0.405872
+C	 1.0756657686	-0.3650105156	 0.1262934082	 0.133877
+O	 1.9182782626	-0.6332277887	 1.2544176677	-0.272743
+C	 2.8497368273	-1.6203702039	 0.9031945063	 0.098159
+C	 4.1076613229	-1.1272659495	 0.2421488878	-0.317269
+C	 2.9664871435	-1.6736676842	-0.5941651516	-0.092717
+C	 1.9492536333	-0.6643895313	-1.1319193357	-0.110113
+C	 1.1007839517	-1.2385475638	-2.2432202905	 0.144438
+O	 0.7775267244	-0.6466490268	-3.2397767163	-0.250352
+H	-0.0396651303	 1.1900974668	 1.124710916	 0.130311
+H	 1.3742501519	 1.7698337547	 0.2226039216	 0.12551
+H	-0.0932552779	 1.2712733645	-0.6483711359	 0.13286
+H	 0.231273548	-1.0759020861	 0.1452427892	 0.072171
+H	 2.8476556792	-2.5004263427	 1.5384405528	 0.100079
+H	 4.2783929908	-0.0560355754	 0.244549536	 0.123107
+H	 5.0015168168	-1.7373624134	 0.3209050525	 0.116813
+H	 3.1056434997	-2.6101252832	-1.1232040254	 0.097168
+H	 2.4158588092	 0.2546149057	-1.4999050965	 0.097021
+H	 0.7595604181	-2.2855974254	-2.0593096858	 0.077552
+19
+0 4205	2.6383223	1.5269312	1.2160993	3.0486	74.37	-0.25354	-0.03524	0.2183	1072.1286	0.158033	-422.569322	-422.561288	-422.560344	-422.60183	31.168
+O	-0.7148598168	-0.8372167256	-1.0692413348	-0.447873
+C	 0.3776336715	-1.1594041422	-1.8926723375	 0.118393
+C	 0.4989991549	-0.3180054948	-3.1903681548	-0.250299
+C	 1.9597661273	-0.4134175783	-3.5947453581	-0.023134
+C	 2.6031119842	-1.7791931418	-3.5788741519	-0.307698
+C	 2.7558600388	-0.8673100096	-2.3849809933	-0.036854
+C	 1.7806199046	-1.0457664974	-1.2188769465	-0.148834
+C	 1.9332277646	 0.1525313026	-0.3077030151	 0.161344
+O	 1.1103333444	 1.0222161262	-0.1340767235	-0.266447
+H	-0.536496568	 0.0448969388	-0.7141597298	 0.292292
+H	 0.225306667	-2.2093311828	-2.1622348761	 0.093117
+H	-0.1977172393	-0.6669244444	-3.9587379389	 0.104141
+H	 0.2457118803	 0.7237322703	-2.9621026565	 0.111312
+H	 2.3624517559	 0.3315646486	-4.2716570805	 0.088105
+H	 1.9817036376	-2.6654638434	-3.5032983712	 0.118329
+H	 3.4863441393	-1.9164764952	-4.1932562586	 0.115628
+H	 3.7415111893	-0.4658104275	-2.1724694932	 0.0884
+H	 2.0189047511	-1.9346105149	-0.6179836091	 0.09698
+H	 2.9179451532	 0.2103389014	 0.2093408295	 0.093098
+19
+0 4206	2.6662982	1.6947049	1.2494152	0.5742	73.56	-0.26007	0.06454	0.32461	1043.6905	0.158065	-422.538385	-422.530661	-422.529716	-422.570331	30.242
+C	 3.1470142931	 1.6571161143	 0.0944979302	-0.406886
+C	 1.9355071719	 1.122276583	-0.6806634034	-0.017162
+C	 1.1219925971	 2.2688196257	-1.3051891483	-0.252122
+C	-0.2174707773	 1.8387710284	-1.8629251107	 0.052133
+O	-0.2998539453	 0.5654258433	-2.5125110683	-0.262094
+C	-0.9623547908	 0.7384906263	-1.243557939	 0.023846
+C	-0.3473265713	 0.0251709436	-0.0812900677	 0.008359
+O	 0.0796718769	 0.8532207322	 1.019414443	-0.264842
+C	 1.0765099762	 0.2314829179	 0.1994963919	 0.069527
+H	 2.8255973478	 2.2695936843	 0.943820655	 0.128438
+H	 3.7608605618	 0.8381821415	 0.4836858286	 0.113875
+H	 3.782646628	 2.2756115539	-0.5470805816	 0.114947
+H	 2.2950048764	 0.4786336948	-1.4938383544	 0.098102
+H	 0.9286922791	 3.0388860716	-0.54834683	 0.120039
+H	 1.7150620966	 2.745076633	-2.0948705284	 0.106098
+H	-0.7909626813	 2.6232868537	-2.3582169336	 0.092539
+H	-2.0495906109	 0.727448466	-1.3063315622	 0.093181
+H	-0.8191088827	-0.9075956609	 0.2252190584	 0.093172
+H	 1.6150938646	-0.5750661424	 0.7006046204	 0.088851
+19
+0 4207	2.6898648	1.7688112	1.2756012	2.1176	74.37	-0.23616	0.08407	0.32023	1028.2319	0.15778	-422.525761	-422.518033	-422.517089	-422.557671	30.484
+C	 3.188465451	 0.7149344536	-1.4442964405	-0.39942
+C	 1.8998487348	 1.5303211824	-1.4616807933	 0.091929
+O	 1.6055850321	 1.8405717557	-0.1088664765	-0.269564
+C	 0.6846409221	 2.8565747365	 0.1532305519	 0.149173
+C	-0.5924917463	 3.0750959417	-0.6121794881	-0.345316
+C	 0.5692617746	 4.0649216866	-0.7289962195	-0.109623
+C	 1.3593432628	 4.0160897539	-1.9898857964	 0.038615
+O	 2.787333876	 3.8548796514	-1.8606240238	-0.261473
+C	 2.0219548407	 2.757767388	-2.3501546845	 0.031848
+H	 3.0785420599	-0.1449077786	-0.7789248138	 0.126157
+H	 3.4286997942	 0.3519789592	-2.4481660268	 0.112581
+H	 4.0134734461	 1.3349924004	-1.0841158839	 0.141421
+H	 1.0868912548	 0.9146341088	-1.8862323853	 0.072613
+H	 0.6461655041	 3.0110963325	 1.2258033826	 0.106179
+H	-0.8004477835	 2.4629755667	-1.4825310297	 0.120585
+H	-1.4739077234	 3.370615532	-0.053925438	 0.116709
+H	 0.4664476096	 5.0395626273	-0.2621495777	 0.094005
+H	 1.0675140731	 4.7012947609	-2.7855540281	 0.092362
+H	 2.1769685873	 2.5225359111	-3.4051309686	 0.091217
+19
+0 4208	2.6776022	1.663275	1.2407243	1.7984	73.49	-0.25868	0.07691	0.33559000000000005	1038.0949	0.159039	-422.543525	-422.535923	-422.534979	-422.575243	30.451
+O	 0.1946158951	-3.6418954573	 1.0050170674	-0.439963
+C	 0.0787282501	-2.2302293612	 0.8699720245	 0.098796
+C	 1.4579207055	-1.5618794888	 0.7720787289	-0.248039
+C	 1.4254118886	-0.0956239194	 0.3749833682	-0.027618
+C	 0.3614840883	 0.8662769464	 0.8417627702	-0.301327
+C	 0.3758330042	 0.3799368546	-0.5963933426	-0.052097
+C	-0.6656665403	-0.6024573354	-1.0161654484	 0.042632
+O	-0.2130547196	-1.8440261053	-1.593380901	-0.27259
+C	-0.8228236373	-1.8721702097	-0.2948738514	 0.0117
+H	 0.5800833844	-3.9733749935	 0.1854153575	 0.285112
+H	-0.4265702702	-1.9104539746	 1.7897144961	 0.093891
+H	 1.9784837829	-1.6962203238	 1.7264152147	 0.106926
+H	 2.036303269	-2.1053376128	 0.0145487294	 0.105609
+H	 2.4124177269	 0.3388051404	 0.2448382541	 0.089523
+H	-0.4337134499	 0.5049514999	 1.48492823	 0.11688
+H	 0.6528589466	 1.8925076992	 1.0357608118	 0.11393
+H	 0.6750479506	 1.0914528553	-1.3600262246	 0.089949
+H	-1.5424533244	-0.1905761476	-1.516551048	 0.09201
+H	-1.8013154305	-2.3533823262	-0.2703679567	 0.094676
+19
+0 4209	2.4974393	1.6695074	1.125923	2.0347	74.04	-0.25685	0.06874	0.32559000000000005	1085.7714	0.158399	-422.537796	-422.530055	-422.529111	-422.569829	30.739
+O	-1.1478401661	-3.1270008943	 0.5697292074	-0.439972
+C	-0.1339013335	-2.2572339312	 0.0830608287	 0.105839
+C	 0.0947224608	-1.0593787603	 1.025202346	-0.263564
+C	 1.0669072755	-0.058971659	 0.4192544634	 0.034273
+O	 0.5027348919	 1.1434149264	-0.1069815662	-0.253546
+C	 1.0292175401	 0.1908395193	-1.0380661107	 0.032655
+C	 0.0224186337	-0.5328767023	-1.8703619522	-0.06576
+C	 0.364314304	-1.8752624825	-2.4700396611	-0.310557
+C	-0.5805840931	-1.7987732216	-1.299026892	-0.004806
+H	-0.8897717407	-3.4214078379	 1.4492357616	 0.280801
+H	 0.8184014166	-2.8053397439	-0.0071939907	 0.064933
+H	-0.8646919281	-0.5638121201	 1.2020914086	 0.126157
+H	 0.4700693312	-1.4139048138	 1.9926841682	 0.086523
+H	 2.0111912442	 0.0911599554	 0.9419565186	 0.089894
+H	 1.9393572711	 0.5242390406	-1.5384022888	 0.090828
+H	-0.6289449368	 0.111767887	-2.4533922847	 0.099943
+H	-0.033311778	-2.1103419698	-3.4510222491	 0.11509
+H	 1.3559276512	-2.2780263952	-2.2831549074	 0.109812
+H	-1.634001494	-1.9796031368	-1.4825025697	 0.101456
+19
+0 4210	2.744208	1.4625952	1.0411924	3.0885	76.92	-0.23915	0.00185	0.241	1157.8546	0.156963	-422.552558	-422.544039	-422.543094	-422.585488	32.64
+C	 1.5023258535	 0.6567935597	-0.2519520093	-0.501476
+C	 0.1272772765	 0.0580079053	-0.1622594665	 0.309887
+C	-0.0822217573	-1.2123995184	 0.1963802853	-0.180717
+C	-1.445429731	-1.7891165913	 0.2951291687	 0.01659
+O	-2.060246303	-2.250494588	-0.9281101669	-0.25636
+C	-2.5592216529	-1.0551663086	-0.3187338747	 0.012657
+C	-2.2560073965	 0.2480625732	-1.0423077041	-0.226328
+C	-1.049423582	 0.9890309016	-0.4536108278	 0.000345
+O	-0.7243864239	 2.0106919441	-1.3929400491	-0.425167
+H	 1.6093659329	 1.5164420625	 0.4250488616	 0.115297
+H	 2.2712241613	-0.0725916656	 0.0132209254	 0.126732
+H	 1.7028193442	 1.0237527462	-1.2641971724	 0.143323
+H	 0.7579759946	-1.8615828134	 0.4313353626	 0.086366
+H	-1.6390641692	-2.4412203471	 1.1465590001	 0.089605
+H	-3.5568424896	-1.1620523433	 0.1057571578	 0.090516
+H	-2.0286710714	 0.022780695	-2.0887515257	 0.131749
+H	-3.1239863983	 0.9134757091	-1.0314022429	 0.103536
+H	-1.3469411446	 1.4548739134	 0.50259797	 0.078226
+H	-0.1420008433	 2.6453986455	-0.965579922	 0.285219
+19
+0 4211	2.6949417	1.5845763	1.1238921	4.1729	74.92	-0.25583	0.01128	0.26711	1107.886	0.157999	-422.585643	-422.577507	-422.576563	-422.618246	31.302
+C	 0.0407934792	-2.5384405166	 0.047217716	-0.392449
+C	-0.827365461	-1.2850124929	-0.0848287436	-0.160732
+C	-1.6737585883	-1.2898876232	-1.3717542387	-0.222889
+C	-2.4037327453	 0.0169989408	-1.5905125889	-0.06938
+C	-3.0425368151	 0.7609917852	-0.4286693615	-0.326092
+C	-1.7545966983	 1.2450935177	-1.0343642626	 0.127216
+O	-0.5273272651	 1.158601824	-0.3393536451	-0.230659
+C	 0.0226466655	-0.0223240063	 0.0501582204	 0.424558
+O	 1.1294215553	-0.0100544423	 0.5168728576	-0.32366
+H	 0.6130885701	-2.5183135805	 0.9755920418	 0.140613
+H	-0.5863105656	-3.435216943	 0.0350101048	 0.108508
+H	 0.7539802138	-2.6071399492	-0.7798126246	 0.126685
+H	-1.5151161116	-1.2580790999	 0.7720858542	 0.114252
+H	-1.0123547909	-1.4717551336	-2.2290332157	 0.113145
+H	-2.3754557061	-2.1312639364	-1.3364336719	 0.110292
+H	-2.8876201575	 0.1189975867	-2.5571801625	 0.097522
+H	-3.9373915105	 1.3425179687	-0.6201488878	 0.121382
+H	-3.0050880824	 0.3175177908	 0.5594834641	 0.126139
+H	-1.7591183762	 2.16996034	-1.5985842659	 0.115549
+19
+0 4212	2.2932797	1.6648587	1.2815197	3.6998	74.15	-0.24014	-0.01458	0.22555999999999998	1060.0405	0.157558	-422.574723	-422.566439	-422.565495	-422.607765	31.314
+C	-1.4787974544	-1.3980598183	 1.4031090785	-0.411082
+C	-0.8210245186	-1.2840369941	 0.012404014	-0.077851
+C	-1.8748584509	-1.3814259093	-1.1161701466	-0.252969
+C	-2.5815101627	-0.0721509885	-1.4199191125	 0.040146
+O	-1.8652650014	 0.8335183697	-2.2701681523	-0.250968
+C	-2.0865779899	 1.2220471476	-0.9137245593	 0.05468
+C	-0.8445138911	 1.3036913209	-0.0563066351	-0.34283
+C	-0.0229316324	 0.0155607861	-0.0768732695	 0.392841
+O	 1.1835171881	 0.03280764	-0.1126766656	-0.316149
+H	-1.9360834665	-2.3856276992	 1.5187207219	 0.125549
+H	-0.7429170352	-1.2717407393	 2.2029975741	 0.131866
+H	-2.2669130938	-0.6510162488	 1.542904893	 0.123061
+H	-0.0938491307	-2.0931110828	-0.0972124755	 0.097884
+H	-1.402334119	-1.7219481746	-2.0437756882	 0.129521
+H	-2.6168880031	-2.140203748	-0.8434320783	 0.103245
+H	-3.6408009791	-0.1479342035	-1.6660016385	 0.096447
+H	-2.7971958984	 2.0410593838	-0.7938105718	 0.093534
+H	-0.2016755001	 2.128524386	-0.3769314277	 0.136406
+H	-1.1357877308	 1.5049841925	 0.9836811797	 0.126671
+19
+0 4213	2.7863468	1.5291257	1.0944726	2.1325	75.19	-0.22669	-0.01694	0.20975	1123.6508	0.156911	-422.566077	-422.557785	-422.556841	-422.599038	31.739
+C	 0.2204735893	-2.4252135275	-0.3125523716	-0.402266
+C	-0.8278996814	-1.3463556051	-0.0721415846	 0.03535
+O	-1.5482827123	-1.1436069505	-1.2866906405	-0.261527
+C	-2.5503019244	-0.1779401028	-1.1465950676	 0.1043
+C	-2.5243066889	 0.9507467011	-2.1290648635	-0.315979
+C	-2.0534765526	 1.1777715626	-0.7073463819	-0.064021
+C	-0.5649779463	 1.2071853797	-0.3766175368	-0.333394
+C	-0.1832266678	-0.0371144786	 0.4173059347	 0.37122
+O	 0.5635668264	-0.0237294807	 1.3665757021	-0.31623
+H	 0.8176178271	-2.5587902284	 0.5913235965	 0.143795
+H	-0.2620900763	-3.3695127903	-0.5750381792	 0.125379
+H	 0.8825314396	-2.1353400403	-1.1339297309	 0.125781
+H	-1.5172160852	-1.6778462244	 0.722753561	 0.095703
+H	-3.5041262439	-0.5593762061	-0.7829957148	 0.088474
+H	-1.7720035329	 0.9026306056	-2.909007005	 0.124863
+H	-3.4707848473	 1.3857889811	-2.4295830815	 0.11767
+H	-2.6922794497	 1.7646235799	-0.0561415341	 0.100625
+H	 0.0347819106	 1.2055083889	-1.2955584067	 0.131907
+H	-0.2770921938	 2.089694436	 0.1977975243	 0.128352
+19
+0 4214	2.7162745	1.4987333	1.1151532	3.1097	74.37	-0.25656	-0.0257	0.23086	1111.738	0.158275	-422.580768	-422.572704	-422.57176	-422.613584	31.286
+O	-0.1001112588	-2.5025329895	 0.1695814189	-0.441412
+C	-0.9083433635	-1.3628422249	 0.1004055746	 0.059387
+C	-1.8221446364	-1.3912594474	-1.1446280343	-0.255259
+C	-2.625691109	-0.1048560713	-1.3152100215	-0.038552
+C	-2.0989717777	 0.9916581752	-2.2106935976	-0.283873
+C	-2.1089418694	 1.1946165897	-0.7191266454	-0.025598
+C	-0.8064841865	 1.2154848225	 0.0714193602	-0.325877
+C	-0.0575074509	-0.1010790715	 0.0600621762	 0.358644
+O	 1.1524498131	-0.186921904	 0.0374249132	-0.337785
+H	 0.8113924279	-2.1671676164	 0.1488045861	 0.290167
+H	-1.5511707051	-1.2929227663	 0.9949738102	 0.088208
+H	-1.186037287	-1.5832805591	-2.0157561984	 0.115177
+H	-2.4881332735	-2.2535375519	-1.0537488566	 0.117702
+H	-3.7034814606	-0.2282888241	-1.2985016223	 0.091537
+H	-1.1396029933	 0.8176693513	-2.6906535683	 0.117727
+H	-2.7987314114	 1.5592262306	-2.8139298263	 0.115177
+H	-2.862508219	 1.8792676712	-0.3429026086	 0.091532
+H	-0.1276947902	 2.0109403652	-0.2517469101	 0.129072
+H	-1.0377117688	 1.4086056005	 1.12908935	 0.134025
+19
+0 4215	2.2774102	1.836167	1.3236338	3.1273	75.96	-0.24288	0.01466	0.25754	1025.0725	0.158992	-422.546536	-422.538663	-422.537719	-422.578787	30.824
+O	 0.3276682276	 2.4133920196	-1.9352066519	-0.439449
+C	-0.1086697574	 1.1285466663	-2.3714240033	 0.079722
+C	 0.8609360138	 0.026355169	-1.9153230907	-0.277432
+C	 0.9879361783	-0.1585153643	-0.4187690762	 0.045276
+O	 0.4994750368	 0.895625504	 0.4395699325	-0.26569
+C	-0.1398779586	-0.3882454478	 0.4907237862	 0.072642
+C	-1.5942787971	-0.5211271099	 0.1017628485	-0.305162
+C	-2.1581941904	 0.2751464657	-1.0451597681	-0.050392
+C	-1.5710798815	 0.9291793449	-2.0462212584	-0.075442
+H	 0.258724817	 2.3898442583	-0.9708885712	 0.292356
+H	-0.0294607993	 1.1709324492	-3.4645452229	 0.084774
+H	 0.5801501212	-0.9313556322	-2.3725352312	 0.107456
+H	 1.8458721645	 0.2914937386	-2.3148262546	 0.115397
+H	 1.953093078	-0.5506278872	-0.094113305	 0.094646
+H	 0.0887737886	-0.9299608531	 1.4113453513	 0.092804
+H	-1.7853293224	-1.5928468764	-0.0684501969	 0.122815
+H	-2.1923900415	-0.278350308	 0.9915618656	 0.122393
+H	-3.2465202818	 0.3118071022	-1.0182199246	 0.091869
+H	-2.2302663057	 1.4633387511	-2.727862239	 0.091417
+19
+0 4216	2.7445537	1.723076	1.4627759	2.4983	73.69	-0.23188	0.07895	0.31083	979.9171	0.157997	-422.538598	-422.530975	-422.530031	-422.570208	30.74
+C	-0.4213225286	 4.4566896933	 1.8000095196	-0.500592
+C	-0.799250202	 3.0218555332	 1.9503560568	 0.463909
+O	-0.0014857702	 2.2115549004	 2.8385496758	-0.360525
+C	-1.1668328631	 1.3280255094	 3.0488745885	 0.083293
+C	-0.981886156	 0.101218061	 2.1695679025	-0.250188
+C	-0.7696382108	 0.7329846375	 0.7608439843	 0.128747
+O	 0.5969420235	 0.7954572019	 0.387364475	-0.444978
+C	-1.4141234223	 2.1209980253	 0.8928056462	-0.151583
+C	-2.069863708	 2.2939949935	 2.2559454393	-0.208264
+H	-0.3973420456	 4.9577876432	 2.7727512712	 0.130568
+H	 0.5693659216	 4.5489653018	 1.3412691157	 0.134448
+H	-1.1398124751	 4.9737505789	 1.1574587964	 0.127472
+H	-1.3531449568	 1.1703633692	 4.1119824922	 0.082712
+H	-0.1245700472	-0.5153467216	 2.4524392786	 0.11189
+H	-1.8852435344	-0.5191186087	 2.2017031879	 0.100469
+H	-1.2582525194	 0.1442110732	-0.0197512173	 0.081889
+H	 1.0347234087	 1.2752170888	 1.1026818058	 0.284433
+H	-1.8489197516	 2.6087261994	 0.0277861812	 0.088887
+H	-3.0773825426	 2.6233020604	 2.4690487703	 0.097412
+19
+0 4217	2.7837149	1.6068746	1.363614	1.4355	74.11	-0.23747	0.07529	0.31276	1014.4652	0.157378	-422.534488	-422.526645	-422.5257	-422.566281	31.368
+C	-0.03822865	 0.1722159401	-0.2973816291	-0.399101
+C	 1.4601813528	 0.0935841653	-0.0157081105	 0.120843
+O	 1.8200819071	 0.8906575714	 1.1283883403	-0.283294
+C	 2.7054336478	 1.9131067095	 0.6954305275	 0.087501
+C	 1.99909187	 2.9319010964	-0.2591609832	-0.322794
+C	 2.5221197901	 2.0798547112	-1.4165963677	 0.376851
+O	 2.7850257741	 2.5426687116	-2.6921364749	-0.461926
+C	 3.5078528192	 1.3675984512	-0.5141818828	-0.151018
+C	 2.3787292674	 0.5853067563	-1.1280245675	-0.151907
+H	-0.6070551411	-0.1151643919	 0.5914143947	 0.125968
+H	-0.3407911266	 1.1817407789	-0.5882141525	 0.115545
+H	-0.3050816263	-0.5141124211	-1.1088261567	 0.109294
+H	 1.7154911734	-0.9499012027	 0.221689522	 0.076176
+H	 3.228982611	 2.3124248273	 1.5623384185	 0.085305
+H	 0.9228392036	 3.0735737887	-0.1204322169	 0.092409
+H	 2.5055690891	 3.9020274983	-0.2527798869	 0.105809
+H	 1.9698742171	 2.5040895509	-3.2044977663	 0.285718
+H	 4.5652862608	 1.1644120013	-0.6092320167	 0.096711
+H	 2.5974627108	-0.0640598224	-1.9680705411	 0.091909
+19
+0 4218	2.6552094	1.6426745	1.3666522	0.631	73.49	-0.24824	0.06333	0.31157	1004.4112	0.158014	-422.542916	-422.535023	-422.534079	-422.574781	31.639
+O	 0.4177712743	 0.1837569411	 0.0961726279	-0.442737
+C	-0.8452324685	 0.3995187599	 0.7184450463	 0.125152
+C	-2.0746998332	 0.1814365973	-0.2149072541	-0.242007
+C	-2.6218910889	 1.5905900168	-0.4713578527	-0.039982
+C	-1.5472169655	 2.5089092531	-1.1485231258	-0.319513
+C	-1.1559809889	 2.9803567985	 0.2521562647	 0.392887
+O	-0.6250033526	 4.2236067053	 0.5454979254	-0.468435
+C	-2.3960158202	 2.3720484442	 0.8588518529	-0.141619
+C	-1.0440482832	 1.8181506394	 1.2417220531	-0.152624
+H	 0.5744754021	 0.9167191601	-0.5069558955	 0.275766
+H	-0.8604952807	-0.3176742519	 1.5447378548	 0.084663
+H	-1.7790616939	-0.3464164204	-1.1262479977	 0.1025
+H	-2.8286199624	-0.4278159201	 0.296008717	 0.097785
+H	-3.6143678476	 1.626643663	-0.9191395603	 0.072551
+H	-0.7988949639	 2.0294187182	-1.7936341918	 0.075984
+H	-2.0118192876	 3.3296745477	-1.7014982844	 0.111776
+H	 0.3361536796	 4.1587486079	 0.5368990084	 0.284486
+H	-3.1286380085	 2.785621402	 1.5382116219	 0.094944
+H	-0.6244573102	 2.104806898	 2.1999474801	 0.088424
+19
+0 4219	3.1804309	1.344361	1.1044329	2.4141	75.59	-0.24542	0.06238	0.3078	1147.1497	0.156047	-422.502953	-422.494767	-422.493823	-422.53583	31.186
+C	 0.2974999023	-0.4463855923	-0.1119127997	-0.410704
+C	 1.00791463	 0.8647950722	 0.1564771648	 0.155917
+O	 2.4570100769	 0.7037702153	 0.138154039	-0.310987
+C	 2.5759651964	 1.1201577732	 1.507413431	 0.118404
+C	 2.840094568	 2.6430473527	 1.6543339855	-0.338879
+C	 1.3186313351	 2.846576076	 1.7700090083	 0.448676
+C	 0.5710815383	 3.8540933475	 2.5226459097	-0.270978
+O	 0.5826824272	 3.8471202162	 1.0879071006	-0.266338
+C	 1.0380610533	 1.3504664861	 1.6237375677	-0.206088
+H	 0.5780377813	-1.2033313769	 0.6273326682	 0.118352
+H	-0.7885949579	-0.3064287008	-0.0762076652	 0.116977
+H	 0.5636504339	-0.8221009061	-1.1047763818	 0.128879
+H	 0.6893591936	 1.6316628969	-0.5601471552	 0.096505
+H	 3.1648831105	 0.4289785073	 2.1138550928	 0.079188
+H	 3.3939239657	 2.9261873947	 2.5542512318	 0.107021
+H	 3.309655392	 3.0923353298	 0.7766983845	 0.126215
+H	-0.3816784721	 3.593955079	 2.983096381	 0.11488
+H	 1.1016010242	 4.6837126062	 2.9892689748	 0.116663
+H	 0.3699849916	 0.863661503	 2.3341645122	 0.076295
+19
+0 4220	3.0687589	1.3064976	1.0743134	1.1375	74.94	-0.2494	0.06732	0.31672	1152.5507	0.156409	-422.50436	-422.496169	-422.495225	-422.537566	31.505
+O	 0.297865977	-0.192458843	 0.0400454953	-0.438399
+C	-0.8083432974	 0.4128901364	 0.6791614105	 0.140002
+C	-2.1114551859	 0.0152914394	-0.0610216511	-0.243113
+C	-2.334342161	 1.4844102782	-0.5126166562	-0.016936
+C	-3.2136441467	 2.3515335778	 0.4314650281	-0.329979
+C	-1.9629382257	 2.6606324118	 1.2640057651	 0.458058
+C	-1.8104366051	 2.8961000438	 2.7033254341	-0.267112
+O	-1.6726839594	 3.9595275943	 1.7517004517	-0.273994
+C	-1.0473855343	 1.9035127429	 0.2959092909	-0.18342
+H	 1.101254836	 0.1804137294	 0.418411055	 0.280163
+H	-0.7935509673	 0.2184208573	 1.761464181	 0.061874
+H	-1.8891762796	-0.6705348348	-0.8808734846	 0.120187
+H	-2.9027332585	-0.4165002257	 0.5577729676	 0.096443
+H	-2.4479189795	 1.6572319329	-1.5817744762	 0.075187
+H	-3.5924221685	 3.2559794154	-0.0532019408	 0.118609
+H	-4.043205654	 1.8482896647	 0.937285871	 0.100861
+H	-2.6938658166	 2.9496526404	 3.3389197993	 0.114175
+H	-0.8919767894	 2.6037900264	 3.2120288551	 0.110326
+H	-0.2046092041	 2.4589235024	-0.1188580858	 0.077068
+19
+0 4221	3.1619464	1.314812	1.0894982	1.4408	75.51	-0.22769	0.0639	0.29159	1150.7778	0.156208	-422.501736	-422.493544	-422.4926	-422.534517	31.852
+O	 0.4764119891	-0.1613254964	 0.5550105822	-0.436642
+C	-0.7869304038	 0.3791726668	 0.8591816516	 0.158184
+C	-1.2415856566	 0.3163612744	 2.3529875982	-0.287023
+C	-1.4579252647	 1.8437404924	 2.3488468018	 0.113964
+O	-2.777766958	 2.2346255848	 1.901443367	-0.324568
+C	-2.2927316504	 2.457350061	 0.5702341526	 0.483401
+C	-3.1573829775	 2.2660139987	-0.6301268572	-0.335857
+C	-2.7033985429	 3.6608343807	-0.2115303388	-0.350437
+C	-0.9031068878	 1.9391850394	 0.8974235176	-0.249111
+H	 1.1157290428	 0.1852305222	 1.1868599997	 0.276999
+H	-1.4799467149	-0.0832351394	 0.152154071	 0.098591
+H	-2.1196695992	-0.2870772131	 2.5923593949	 0.115751
+H	-0.4123820925	 0.0131612129	 3.0025786448	 0.094677
+H	-1.1257675687	 2.4348639122	 3.2054147264	 0.079636
+H	-2.724493248	 1.8225499188	-1.521245561	 0.1193
+H	-4.1958262018	 2.0078596793	-0.452518212	 0.125935
+H	-1.9589087622	 4.1680979016	-0.816829507	 0.1148
+H	-3.4446865869	 4.3102655873	 0.2417053398	 0.124859
+H	-0.0325122458	 2.5134840164	 0.5800263085	 0.077543
+19
+0 4222	2.9097661	1.7420611	1.5522691	1.5093	72.52	-0.22375	0.08124	0.30499	947.5072	0.159613	-422.555821	-422.54874	-422.547796	-422.587339	28.582
+C	 0.0551814105	 2.1974054409	-1.491523329	-0.395086
+C	 0.2123994701	 0.6783106654	-1.6362848611	 0.01787
+C	-1.0015613303	-0.0918036963	-1.0297101686	-0.241906
+C	-0.5122484304	-1.0771243529	 0.0281757145	 0.16787
+O	 0.4170973671	-1.981865715	-0.5568986036	-0.263132
+C	 1.6272351848	-1.2576961572	-0.5724191892	 0.029446
+C	 1.4888253479	-0.196485819	 0.4782368504	 0.044731
+O	 0.2040238221	-0.3680042807	 1.0361196176	-0.26465
+C	 1.5071878133	 0.197516519	-0.9880740179	-0.129763
+H	-0.0009175084	 2.4798226686	-0.4348930304	 0.127172
+H	 0.9005365917	 2.7304343472	-1.94021033	 0.108622
+H	-0.8600633267	 2.5439404558	-1.9832979866	 0.112514
+H	 0.2733808525	 0.4432531514	-2.7053065908	 0.080664
+H	-1.7056513178	 0.6013680157	-0.5578297655	 0.104127
+H	-1.5479403958	-0.6437498432	-1.8001861769	 0.106207
+H	-1.3131157742	-1.6497647653	 0.5008460854	 0.093204
+H	 2.4943449807	-1.8766251766	-0.759998218	 0.108593
+H	 2.2351171941	 0.0984536807	 1.2036311184	 0.107437
+H	 2.4215821889	 0.6665144114	-1.3417737488	 0.08608
+19
+0 4223	2.8828396	1.7826416	1.5969386	2.1022	72.92	-0.23286	0.08122	0.31408	934.4408	0.159715	-422.564259	-422.55724	-422.556296	-422.59546	28.599
+C	-2.7630151574	-0.8855751633	-2.0167516756	-0.392343
+C	-1.2990949979	-0.8370493207	-1.5879514887	 0.128059
+O	-1.2353544704	-0.5480983303	-0.1778069682	-0.286175
+C	-0.4035091356	 0.5404998121	 0.1470022146	 0.172867
+C	-0.9175079572	 1.8276345575	-0.5270085972	-0.254416
+C	-0.3934852562	 1.6058706412	-1.9352302503	-0.125415
+C	 0.7815460022	 0.676843098	-1.7479154602	 0.084219
+O	 0.9026588442	 0.3517327056	-0.3774731541	-0.251513
+C	-0.4699489997	 0.1541170585	-2.3942703258	-0.109451
+H	-3.3199969514	-1.565724274	-1.3662964486	 0.125447
+H	-3.2225679603	 0.1055441982	-1.9565734705	 0.118548
+H	-2.8498244775	-1.244733805	-3.0479309508	 0.109746
+H	-0.8602633927	-1.8367082367	-1.7218471262	 0.085649
+H	-0.3369578101	 0.5649475948	 1.2347362288	 0.09237
+H	-2.0036027048	 1.9001043717	-0.4425376641	 0.11232
+H	-0.4635059432	 2.7175825672	-0.0787661029	 0.107528
+H	-0.3852585733	 2.4094528298	-2.6608193746	 0.089796
+H	 1.7354828789	 0.7543313427	-2.2528396734	 0.102767
+H	-0.4503613974	-0.0297555173	-3.4639565822	 0.089997
+19
+0 4224	2.7897079	1.7545759	1.5701852	1.5785	72.34	-0.23152	0.07018	0.3017	932.2824	0.160334	-422.567069	-422.560009	-422.559065	-422.598325	28.912
+O	-0.109053026	 1.3466907917	-2.907611936	-0.441411
+C	-0.0713654302	 1.6424830981	-1.5106079846	 0.126212
+C	-1.2439807703	 0.9845283471	-0.7300363431	-0.239811
+C	-0.7197970091	-0.0760226319	 0.2428554989	 0.062116
+C	 0.2158045208	-1.069057548	-0.4833733633	-0.243387
+C	 1.4901477001	-0.2407634653	-0.577223116	-0.130914
+C	 1.3470770721	 0.7792487512	 0.5219303747	 0.092817
+O	 0.1303819376	 0.5820899006	 1.1969544128	-0.262066
+C	 1.264716124	 1.2366251576	-0.9137276601	-0.117036
+H	 0.2713995728	 0.4697637844	-3.0254548665	 0.279265
+H	-0.1752415311	 2.7309995091	-1.4652065531	 0.090939
+H	-1.7883064496	 1.7384576298	-0.1533882794	 0.107325
+H	-1.9411739419	 0.5502918268	-1.4534109033	 0.103736
+H	-1.5270673558	-0.5536383551	 0.8014303861	 0.081577
+H	 0.39237694	-1.9655210036	 0.1195015794	 0.109585
+H	-0.2001746174	-1.3828663665	-1.4460269073	 0.096921
+H	 2.435644169	-0.713836595	-0.8116989538	 0.08986
+H	 2.1440638832	 1.0999565514	 1.1807291425	 0.103364
+H	 2.125625202	 1.7707537976	-1.3038979277	 0.090909
+19
+0 4225	3.0207093	1.503764	1.4782852	2.7537	73.48	-0.23282	0.07539	0.30821	999.8514	0.157995	-422.53405	-422.526339	-422.525395	-422.565794	30.778
+C	-3.1351886795	 3.3249485757	 1.6666770846	-0.520376
+C	-2.1749756621	 2.5666331403	 0.8038331058	 0.27834
+C	-0.9025698646	 2.9124957814	 0.102936659	 0.035965
+O	-1.2708199727	 2.2979264879	-1.140051697	-0.328267
+C	-2.4644502852	 1.7368554405	-0.4746798777	 0.03682
+C	-2.1652324571	 0.2895494523	-0.120799015	-0.253725
+C	-0.8499981532	 0.4134845993	 0.7065575475	 0.131464
+O	 0.3088803431	 0.1155203311	-0.0525233679	-0.444312
+C	-0.884350646	 1.8661509966	 1.204357592	-0.166918
+H	-2.6002619049	 3.9070882359	 2.4237569555	 0.126612
+H	-3.742023812	 4.0215473813	 1.0776027794	 0.126006
+H	-3.8179825923	 2.6491325322	 2.1952957759	 0.123468
+H	-0.2892250906	 3.8054420691	 0.0654553599	 0.105135
+H	-3.3689670102	 1.9464876254	-1.0488791648	 0.081443
+H	-2.983766073	-0.1214176042	 0.4825563136	 0.099378
+H	-2.0186581015	-0.3543551171	-0.9920856666	 0.112854
+H	-0.8370594414	-0.2891879667	 1.5437440242	 0.082435
+H	 0.2813006107	 0.7150002634	-0.8095658802	 0.285557
+H	-0.3991546073	 2.1431608756	 2.1339861317	 0.08812
+19
+0 4226	2.5350953	1.6157295	1.3650465	0.8138	73.92	-0.22095	0.06997	0.29092	1035.018	0.157475	-422.52641	-422.518569	-422.517625	-422.558353	31.227
+C	 1.6013713067	-0.5878364703	-1.2081457527	-0.410539
+C	 1.2447618654	 0.1183243409	 0.1018306468	 0.032345
+C	 1.840522529	 1.5565513421	 0.210751292	-0.230935
+C	 2.2946509941	 1.6464391465	 1.6606206238	 0.013947
+O	 1.1318285897	 1.4134992334	 2.5261553329	-0.306983
+C	 1.5392002297	 0.0567130166	 2.7034829037	-0.015885
+C	 1.8155042315	-0.5882507683	 1.3376641745	-0.123776
+C	 2.8612449883	 0.2430831755	 2.0251515138	 0.302581
+O	 4.1608962498	-0.1466171919	 2.2489197489	-0.454174
+H	 1.1557011354	-1.5870466582	-1.2575088049	 0.112393
+H	 1.239012294	-0.01881866	-2.0711776374	 0.112754
+H	 2.6865673869	-0.6992582544	-1.3120325123	 0.119141
+H	 0.1541089946	 0.1761729637	 0.1860369108	 0.08305
+H	 2.7083904644	 1.6694468607	-0.4521897569	 0.098719
+H	 1.1159543287	 2.3352109265	-0.0439252452	 0.106544
+H	 2.8422456576	 2.5432227078	 1.9593547275	 0.075827
+H	 1.1949772754	-0.4762140135	 3.5819412568	 0.105691
+H	 1.9361376773	-1.6668647147	 1.3525441494	 0.089243
+H	 4.4713298314	 0.2763545979	 3.0578261487	 0.290057
+19
+0 4227	2.9081908	1.5134969	1.4390073	1.9189	74.24	-0.22889	0.07271	0.3016	1012.4976	0.157595	-422.530589	-422.522749	-422.521805	-422.562368	31.267
+C	 0.0419095267	-0.2251650159	 0.1379554027	-0.397719
+C	 1.1939305922	 0.6264788246	-0.3881075445	 0.114932
+O	 2.3257226782	 0.5970161557	 0.5091693504	-0.282712
+C	 2.5294589848	 1.9100746495	 1.0048909896	 0.01355
+C	 1.3339303117	 2.3892575863	 1.8917406159	-0.247652
+C	 0.7299256163	 3.0340436326	 0.6425094256	-0.16878
+C	 0.9035402257	 2.1107617662	-0.5808371355	-0.116882
+C	 2.0586908193	 2.9043753814	-0.1011328889	 0.363584
+O	 2.7952320249	 3.749072305	-0.8998755623	-0.460169
+H	-0.3932215239	 0.1986707652	 1.0464620926	 0.119875
+H	-0.748031242	-0.2939544254	-0.6181652738	 0.110726
+H	 0.3910101942	-1.2378125854	 0.3593669909	 0.124066
+H	 1.5316393769	 0.2015479707	-1.3445419142	 0.080616
+H	 3.5371795944	 1.9814595088	 1.4144543294	 0.080415
+H	 0.7850567837	 1.5959413944	 2.4059301966	 0.100208
+H	 1.640808916	 3.1472795624	 2.6200154257	 0.094
+H	 0.0007183787	 3.8353370215	 0.6122208851	 0.088082
+H	 0.399297259	 2.4415866536	-1.4814748016	 0.095838
+H	 3.1777308635	 4.4392825688	-0.3470771135	 0.288023
+19
+0 4228	2.5114262	1.5958626	1.3572421	2.6084	73.85	-0.23648	0.07341	0.30989	1027.6048	0.158219	-422.540223	-422.532424	-422.53148	-422.572106	31.446
+O	 0.3733349363	 0.5724320857	 0.1749571757	-0.438304
+C	-0.9058609896	 0.6727217266	 0.7833008132	 0.134528
+C	-0.9390428509	 0.1582764161	 2.2539865191	-0.248763
+C	-1.7998512852	 1.1828952254	 3.001720084	-0.116263
+C	-3.2367594223	 1.2703135268	 2.3870710145	-0.231845
+C	-2.7638595057	 2.4342980646	 1.5180125144	-0.160212
+C	-1.3866747197	 2.1199298904	 0.9044083182	-0.121054
+C	-1.4817640462	 2.5589890806	 2.3250322385	 0.361844
+O	-0.7834092641	 3.6300437859	 2.840650778	-0.461403
+H	 0.9775262213	 1.1270896469	 0.6816086056	 0.276571
+H	-1.5587957037	 0.0798207477	 0.1352253303	 0.089121
+H	-1.3190623469	-0.8645213739	 2.3367046631	 0.099832
+H	 0.0869491819	 0.1602906559	 2.6427923697	 0.093975
+H	-1.7473399096	 1.1243848671	 4.0894325956	 0.066244
+H	-3.6080005783	 0.3690309727	 1.8862508086	 0.093225
+H	-3.9788066194	 1.5940527679	 3.1222050775	 0.097003
+H	-3.3834863912	 3.202090104	 1.0690466048	 0.086263
+H	-1.055620861	 2.8335725096	 0.1578668645	 0.092909
+H	-1.2929757959	 4.0060480099	 3.5669892248	 0.286328
+19
+0 4229	2.2875761	2.0438808	1.5381375	2.4062	73.21	-0.23222	0.07724	0.30946	950.6574	0.157945	-422.534046	-422.526426	-422.525482	-422.565591	30.758
+C	 0.8258022444	 0.2769986836	-3.3631258066	-0.507115
+C	 0.0483856571	 0.3376805304	-2.0736076474	 0.295959
+C	-1.0152759057	-0.7165176903	-1.8228077901	 0.047897
+O	-1.396510478	-0.7340374923	-0.4414215118	-0.32823
+C	-1.6422510598	 0.7223379738	-0.5218709535	 0.077235
+C	-0.42774331	 1.4261007214	 0.0609374147	-0.250495
+C	 0.7355876613	 0.8338473546	-0.7867651898	 0.071245
+O	 1.4430608392	-0.1978505805	-0.1192806323	-0.445844
+C	-1.4297319168	 0.7008246999	-2.0514788034	-0.197889
+H	 1.7249309317	-0.3350148029	-3.2356217479	 0.136911
+H	 0.2324916187	-0.1620101607	-4.1725738827	 0.115215
+H	 1.1406939639	 1.2753474927	-3.6879738416	 0.119466
+H	-1.1381284381	-1.6281035497	-2.3967020216	 0.104253
+H	-2.623281885	 0.9761104574	-0.1182684861	 0.084755
+H	-0.5200453641	 2.5089363162	-0.0833466942	 0.101312
+H	-0.2770938042	 1.2277952627	 1.125479022	 0.112366
+H	 1.4865624803	 1.5939509582	-1.0221694596	 0.079666
+H	 0.7732091619	-0.8480778364	 0.1298165646	 0.28596
+H	-2.0040373069	 1.1841278919	-2.8299674626	 0.097335
+19
+0 4230	2.2404515	2.0505097	1.4914992	2.6084	73.22	-0.22307	0.066	0.28907	961.8702	0.157295	-422.526444	-422.518646	-422.517702	-422.558148	31.309
+C	 0.7430072458	 0.757858343	-0.1876644166	-0.402628
+C	 0.9091589396	-0.7232556014	 0.1665375738	-0.037674
+C	 1.3436398292	-1.6300299821	-1.0255025011	-0.231664
+C	 2.788856442	-1.9950338446	-0.6931132379	 0.081536
+O	 3.5589530242	-0.7420917335	-0.6217114937	-0.309304
+C	 3.4404486762	-0.7794186054	 0.7978664591	 0.066972
+C	 2.8668430596	-2.1667221362	 0.8392536331	-0.249651
+C	 2.0001624444	-0.970596442	 1.2168618518	 0.370872
+O	 1.7544409394	-0.6727511656	 2.5527958913	-0.482901
+H	 0.5536447058	 1.348862044	 0.7141770211	 0.119013
+H	 1.650675248	 1.1365825129	-0.6651916485	 0.13661
+H	-0.0965613278	 0.9105659847	-0.8739613868	 0.10495
+H	-0.0368175695	-1.091656066	 0.5859829086	 0.057259
+H	 0.7329763167	-2.5383332658	-1.0839585872	 0.095267
+H	 1.2764947939	-1.115947144	-1.9886799457	 0.109222
+H	 3.2751024629	-2.7227709988	-1.3450884066	 0.081305
+H	 4.1831944839	-0.2739294089	 1.4038473933	 0.110188
+H	 3.0952845853	-3.0386013979	 1.4364027748	 0.0977
+H	 1.0880424704	-1.2873677522	 2.8816855773	 0.282928
+19
+0 4231	2.2340875	2.068295	1.4770046	1.1042	73.86	-0.23536	0.06626	0.30162	965.2478	0.157373	-422.530995	-422.523194	-422.522249	-422.562659	31.325
+C	-0.0882684159	-0.0421352802	 0.0862247484	-0.40295
+C	 1.300429439	 0.3960155983	-0.36508027	 0.069911
+O	 2.2262997926	 0.4853566892	 0.7274832056	-0.284623
+C	 2.6496321309	 1.8428491636	 0.8414202925	 0.07968
+C	 1.4661930123	 2.7776113851	 1.2509204633	-0.256017
+C	 1.2338998374	 3.0318602807	-0.2383360828	-0.108082
+C	 2.6193876269	 2.4639025079	-0.5748135417	-0.182359
+C	 1.3801230577	 1.7613973956	-1.0494068115	 0.38618
+O	 0.9358328498	 1.8694166603	-2.362701398	-0.481717
+H	-0.5315199181	 0.6794402136	 0.7767082222	 0.122428
+H	-0.7448526214	-0.1314597194	-0.7855887651	 0.121415
+H	-0.0405485162	-1.0145265196	 0.5844114328	 0.12115
+H	 1.6895327925	-0.3568588361	-1.0712500318	 0.060479
+H	 3.5579509526	 1.8699315947	 1.441208896	 0.083605
+H	 0.6755072991	 2.3268741004	 1.8578126747	 0.098336
+H	 1.8310847098	 3.6845066027	 1.742563785	 0.102756
+H	 0.7401165381	 3.8835584335	-0.6904790015	 0.094547
+H	 3.420464736	 2.8381454934	-1.1975799152	 0.089882
+H	 1.508173387	 1.3276031363	-2.918388123	 0.285379
+19
+0 4232	2.2113337	2.0385836	1.5004135	1.7373	73.49	-0.23711	0.07031	0.30741999999999997	956.8882	0.158132	-422.541124	-422.53339	-422.532446	-422.572704	31.398
+O	 0.5051709519	 0.7471584643	 0.4134204773	-0.436391
+C	-0.6345862671	 0.0446543128	 0.8983386547	 0.056512
+C	-1.7593242265	 0.0773660532	-0.1600806082	-0.219915
+C	-2.7710785883	 1.0965274592	 0.3886086038	-0.060951
+C	-2.0960920808	 2.49575542	 0.593850396	-0.237939
+C	-1.813223677	 2.0953232027	 2.0383062314	-0.083387
+C	-2.7548180652	 0.8972977526	 1.9332091496	-0.168836
+C	-1.2764892752	 0.6816026878	 2.1302409726	 0.377744
+O	-0.7469941797	 0.3794097283	 3.3872513843	-0.493004
+H	 1.073064509	 0.9262286871	 1.1708868985	 0.285748
+H	-0.3485866698	-0.9920901388	 1.1424112434	 0.04878
+H	-1.3592456932	 0.3491057598	-1.1407985381	 0.111448
+H	-2.2246804965	-0.9106132242	-0.2428338338	 0.092953
+H	-3.7332221372	 1.0989241755	-0.1229885456	 0.067675
+H	-1.2430267198	 2.7325770516	-0.0476249857	 0.107586
+H	-2.8306924618	 3.3040998516	 0.5473281776	 0.096594
+H	-1.6641597608	 2.7517714211	 2.8875250188	 0.08892
+H	-3.5374540909	 0.5544190545	 2.597367781	 0.084644
+H	-0.9431959611	-0.5444027993	 3.5805109024	 0.281821
+19
+0 4233	2.6785522	1.8892066	1.6875744	0.1924	72.48	-0.23866	0.06065	0.29931	911.9296	0.159228	-422.528601	-422.521663	-422.520719	-422.559483	28.523
+C	-1.6854360496	-0.3782255442	 2.005585955	-0.414365
+C	-0.3385082688	-0.5151095775	 1.2858753852	 0.029156
+C	 0.8424777245	 0.2064080278	 2.0092593996	-0.232602
+C	 1.0677539815	 1.549883521	 1.3225343212	 0.053901
+O	-0.2346417848	 2.2057549657	 1.1632431369	-0.303534
+C	-0.3261762772	 1.629029524	-0.141732691	 0.06618
+C	 1.168560042	 1.3582932419	-0.2424078693	 0.067756
+O	 0.9993682558	 0.0031961866	-0.6588066669	-0.307318
+C	-0.3705523144	 0.0497653353	-0.1360303788	 0.045822
+H	-1.6416772714	-0.8490563494	 2.9932056738	 0.113426
+H	-1.9523862465	 0.6719084444	 2.1417162225	 0.141874
+H	-2.4846268234	-0.8716928172	 1.4406593363	 0.107584
+H	-0.0960403092	-1.5802255059	 1.1981667145	 0.080799
+H	 0.6164541251	 0.3614283462	 3.0687778325	 0.103943
+H	 1.7579019475	-0.3898652057	 1.9471443435	 0.111407
+H	 1.7884316276	 2.205351793	 1.8167252975	 0.079805
+H	-0.9659258903	 2.1767250238	-0.8339938229	 0.089923
+H	 1.9240017122	 1.9132761071	-0.7989088105	 0.089058
+H	-1.0741787206	-0.451371017	-0.8057222193	 0.077188
+19
+0 4234	2.9904676	1.8225	1.5541946	2.052	73.7	-0.2263	0.06914	0.29544	934.2121	0.158872	-422.523663	-422.51672	-422.515776	-422.554554	28.624
+C	-0.7235288392	 1.2139359151	 3.162826937	-0.407158
+C	 0.2033074172	 0.3797430014	 2.2922434001	 0.137577
+O	-0.244521378	 0.509782034	 0.9326126855	-0.275994
+C	 0.0282734314	-0.6476803003	 0.169491684	 0.067597
+C	 1.4874253512	-1.1408112836	 0.383471828	-0.273504
+C	 0.9409291397	-1.9687109378	 1.5608340296	-0.101176
+C	-0.4734726873	-1.9467239828	 0.9484689038	 0.114299
+O	-1.1127039896	-1.614775996	 2.1825906577	-0.289861
+C	 0.1790711984	-1.1094280327	 2.6359081087	 0.055576
+H	-0.3584186111	 1.247781731	 4.1943890344	 0.107774
+H	-0.7740077039	 2.2367070382	 2.7801953108	 0.125412
+H	-1.7282796313	 0.7849967631	 3.150509607	 0.14156
+H	 1.2355794122	 0.7564130139	 2.3795776457	 0.067725
+H	-0.3321035448	-0.4595873715	-0.842372258	 0.081635
+H	 1.8152561125	-1.7986633492	-0.427017711	 0.105256
+H	 2.250257228	-0.3774328371	 0.555269228	 0.107372
+H	 1.4417504544	-2.8637564426	 1.9292749865	 0.075754
+H	-0.9587640066	-2.7441275112	 0.3833325961	 0.079518
+H	 0.3612586666	-1.3163634118	 3.6935408863	 0.080637
+19
+0 4235	2.6142969	1.8940861	1.6890097	0.9948	72.78	-0.23195	0.06093	0.29288	904.6717	0.159869	-422.535287	-422.528385	-422.527441	-422.566077	28.729
+O	-0.8543072052	 1.8859397804	 2.6919562631	-0.429189
+C	 0.03387695	 0.8271883738	 2.3436092732	 0.104409
+C	-0.6733858547	-0.1194681724	 1.3461889185	-0.212438
+C	-0.2633880225	 0.2472522907	-0.0860867515	-0.080097
+C	-0.3948823329	 1.7866257451	-0.2940610874	-0.245042
+C	 1.0542749654	 1.8995788301	 0.2119058244	-0.070951
+C	 1.3125207452	 0.4229105164	-0.1370824059	 0.129876
+O	 1.9636181655	 0.1422096508	 1.1135035308	-0.302437
+C	 1.3059485588	 1.3300043744	 1.6521829134	 0.04527
+H	-0.4028469412	 2.4616885008	 3.3181583349	 0.282743
+H	 0.3244152025	 0.2651425814	 3.2430927545	 0.072018
+H	-0.3915264257	-1.152491929	 1.5648925513	 0.10963
+H	-1.7554714857	-0.0282951097	 1.4791119347	 0.110109
+H	-0.7204933157	-0.4087666042	-0.8291087055	 0.063645
+H	-0.4444577968	 2.05520864	-1.3535602614	 0.094039
+H	-1.184561423	 2.3008922981	 0.2544600977	 0.118459
+H	 1.7058610353	 2.7221546674	-0.0838993068	 0.069053
+H	 1.8497146608	 0.039700046	-1.0061040668	 0.075452
+H	 1.9697869901	 1.9005711901	 2.3103060488	 0.065452
+19
+0 4236	2.6662554	1.9249117	1.7158532	2.6098	72.43	-0.24195	0.07043	0.31238	893.2255	0.160492	-422.540339	-422.533771	-422.532827	-422.570779	28.079
+O	-0.5109932558	 1.183166636	-1.6989523681	-0.447796
+C	-0.4599515198	 1.7299326235	-0.3927496018	 0.157559
+C	-0.8776141172	 0.691269612	 0.6880104404	-0.267615
+C	 0.4025702798	 0.0145372451	 1.1606731137	 0.092951
+O	 1.2058709418	-0.283153577	-0.0385449855	-0.322201
+C	 1.8865485363	 0.9690520323	 0.1804243033	 0.12006
+C	 1.4727526585	 1.0513957055	 1.6590731539	-0.071594
+C	 1.0619752578	 2.5243174294	 1.4767478554	-0.265321
+C	 0.9569590879	 2.2276153563	-0.0505607775	-0.096457
+H	 0.043075348	 0.3914476177	-1.6624708245	 0.284149
+H	-1.1568314976	 2.5743597818	-0.3962338832	 0.079935
+H	-1.3952808954	 1.1611172938	 1.5314624857	 0.103634
+H	-1.5650734068	-0.0300626666	 0.2369324215	 0.113557
+H	 0.2528914383	-0.8813631421	 1.767006836	 0.081712
+H	 2.9025824649	 0.9883527371	-0.2158739125	 0.082382
+H	 2.096799456	 0.7267498751	 2.4912248979	 0.075157
+H	 0.1681704667	 2.8984726374	 1.9844503557	 0.099575
+H	 1.8996504115	 3.1866424259	 1.7119274425	 0.106149
+H	 1.294983755	 2.9867631668	-0.7566020128	 0.074165
+19
+0 4237	3.1724574	1.6491583	1.3968996	2.3308	75.33	-0.24203	0.08054	0.32257	991.2714	0.157843	-422.495201	-422.487875	-422.486931	-422.526532	29.631
+C	 0.1992677917	 0.6924209908	 0.1525458346	-0.411745
+C	 0.8987795049	-0.5568980404	-0.3282607302	 0.012406
+O	 2.3671914017	-0.4511602198	-0.2860380008	-0.328893
+C	 2.4584527757	-1.8438727039	 0.1213282349	 0.144669
+C	 3.112795785	-2.4193054515	 1.399041402	-0.275714
+C	 1.7596447962	-2.6776083286	 2.1427693634	 0.062968
+C	 0.6973512082	-3.1939864988	 1.0994931134	-0.342241
+C	 1.0132770005	-1.7747723102	 0.603637472	 0.363694
+O	 1.1672792579	-1.3601254113	 1.9952805092	-0.303588
+H	 0.4809780604	 0.9100592667	 1.1838581562	 0.147865
+H	 0.4770687097	 1.5406468674	-0.4803559841	 0.127495
+H	-0.8867886761	 0.5644652914	 0.0965047187	 0.117911
+H	 0.5796179106	-0.8386538587	-1.3415151945	 0.078933
+H	 2.6377594128	-2.4717907262	-0.7599272405	 0.072136
+H	 3.7167631512	-3.3078148405	 1.1978899269	 0.098399
+H	 3.7038009874	-1.6993551392	 1.9677347409	 0.129035
+H	 1.7818915697	-3.0500121775	 3.1674323323	 0.087101
+H	 0.9336027302	-4.037048193	 0.4448184676	 0.101449
+H	-0.2751863776	-3.3090576868	 1.578770708	 0.118119
+19
+0 4238	3.1075527	1.6444393	1.3676178	2.3217	74.63	-0.24428	0.07364	0.31792	986.9541	0.158897	-422.513911	-422.506773	-422.505829	-422.545023	29.622
+O	 0.3173878901	-0.1098678079	 0.7752154294	-0.432195
+C	-0.9875636391	 0.3723610402	 0.869366222	 0.040221
+C	-1.9953620644	 0.2285477702	-0.3476217933	-0.310383
+C	-2.5562049805	 1.6369743128	 0.0213017874	-0.005629
+C	-2.5963239501	 2.940948187	-0.8206963337	-0.255696
+C	-1.2867234838	 3.5567644961	-0.2431817125	 0.071717
+C	-1.2866628483	 3.3130662532	 1.3044182162	-0.341224
+C	-1.21669247	 1.8859980955	 0.7416923463	 0.381854
+O	-0.3958911026	 2.4065982509	-0.3636169479	-0.338813
+H	 0.7533951782	 0.4096819287	 0.0885467064	 0.295099
+H	-1.4267010388	-0.0402411994	 1.7818705443	 0.099607
+H	-1.4572269521	 0.2183127169	-1.2965477214	 0.114425
+H	-2.6898906493	-0.612461497	-0.3084657595	 0.09894
+H	-3.4044291904	 1.5514304173	 0.7046919058	 0.075181
+H	-2.4951176143	 2.7914751242	-1.8984072091	 0.112134
+H	-3.4913997356	 3.54078504	-0.633871916	 0.098197
+H	-0.8901416231	 4.4722673497	-0.6837559616	 0.082793
+H	-0.3595378608	 3.674590581	 1.7504307958	 0.116306
+H	-2.1616711953	 3.5905974405	 1.8978632914	 0.097466
+19
+0 4239	3.2405777	1.5087454	1.3437264	0.7865	74.77	-0.2419	0.05408	0.29598	1005.6588	0.158489	-422.493876	-422.486611	-422.485667	-422.525113	29.912
+O	 0.4004446272	 0.3314053113	-0.0962874605	-0.426556
+C	-0.7222951763	 0.4155932153	 0.7498725727	 0.009519
+C	-2.1269690225	 0.1820037312	 0.0421099514	-0.333433
+C	-2.0131184402	-1.301805832	 0.5275041523	 0.131926
+O	-2.9145324086	-2.1592874853	 1.2379995003	-0.299802
+C	-2.2613266642	-2.1553453526	 2.5384060123	 0.103543
+C	-2.0987706364	-0.6494771575	 2.7986765047	-0.257902
+C	-1.0789659969	-0.8247497454	 1.6231100253	 0.251952
+C	-0.7016808736	-2.184381472	 2.2831456852	-0.346594
+H	 0.3695496287	-0.5019379763	-0.5770998688	 0.284768
+H	-0.6070133005	 1.3544101814	 1.2948128223	 0.095141
+H	-2.9316249846	 0.7504866412	 0.5091288018	 0.119099
+H	-2.1399074304	 0.3477028523	-1.0373704313	 0.103785
+H	-1.520189711	-1.8958622355	-0.2540611724	 0.065014
+H	-2.7678406765	-2.850264309	 3.2060810387	 0.086244
+H	-2.986962649	-0.0317574027	 2.6586585396	 0.104055
+H	-1.5932068318	-0.4061679682	 3.7355674176	 0.101808
+H	-0.3005490137	-2.9656198146	 1.6332795294	 0.100725
+H	-0.1448367796	-2.1284381716	 3.2201250393	 0.106706
+19
+0 4240	2.9143539	1.8186255	1.5112366	1.8103	73.95	-0.24283	0.07086	0.31369	946.5116	0.158435	-422.534769	-422.527535	-422.526591	-422.566306	28.87
+C	-0.0698674707	 0.1167865234	 0.0951452301	-0.399127
+C	 1.3169123067	 0.0348456614	-0.5241035213	 0.123862
+O	 1.9618108942	-1.1786571782	-0.1062990909	-0.288619
+C	 2.6237733934	-1.8090770237	-1.1898565958	 0.102716
+C	 1.7648759619	-2.8778105253	-1.9412773203	-0.254436
+C	 1.4563638223	-1.8309169786	-3.0291594646	 0.112613
+O	 0.3995224299	-0.9232240405	-2.6342162656	-0.31289
+C	 1.3429849999	 0.0135525444	-2.0512370413	 0.092748
+C	 2.5305033544	-0.8795837636	-2.4371047369	-0.145916
+H	-0.0052053871	-0.0090289554	 1.178876007	 0.124265
+H	-0.5263584606	 1.0903697224	-0.1119463649	 0.110586
+H	-0.7089435808	-0.6659849501	-0.3187460064	 0.137544
+H	 1.9285315218	 0.8894827167	-0.1891000184	 0.06872
+H	 3.6115218044	-2.1388089265	-0.8593084192	 0.080622
+H	 2.389203358	-3.688201341	-2.3321324351	 0.098951
+H	 0.9137630321	-3.2914558988	-1.3969106945	 0.112836
+H	 1.3643801959	-2.1349815224	-4.0734959327	 0.079415
+H	 1.2473637272	 1.007402122	-2.4999696635	 0.077926
+H	 3.4156270371	-0.4922131762	-2.9342495555	 0.078182
+19
+0 4241	2.6718706	1.9040299	1.5498582	2.8637	72.79	-0.24733	0.05464	0.30197	927.297	0.159885	-422.540482	-422.533542	-422.532598	-422.572062	28.392
+O	 0.6791389474	 0.2557815742	 0.9220786513	-0.440621
+C	-0.7222796943	 0.427394205	 0.9573835477	 0.128159
+C	-1.3382671501	 0.3913126484	 2.3893105804	-0.25558
+C	-1.8467481971	 1.8040900811	 2.7077856981	-0.034421
+C	-0.7710098081	 2.8918283945	 3.0477324002	-0.253036
+C	-0.9063752188	 3.4700641153	 1.6250386213	 0.12118
+O	-0.0683453687	 2.7834623165	 0.6604890569	-0.324977
+C	-1.1162673347	 1.8086120416	 0.37214901	 0.073454
+C	-2.0911167245	 2.5140472059	 1.3353278196	-0.109072
+H	 1.0482552533	 1.1485633282	 0.9920772022	 0.28701
+H	-1.1506397879	-0.3758792918	 0.3479447502	 0.078659
+H	-2.1797014419	-0.3107104708	 2.407342664	 0.095283
+H	-0.5971838257	 0.0278631194	 3.1066619192	 0.111063
+H	-2.6880142002	 1.8004273908	 3.4024922076	 0.07221
+H	-1.1229644837	 3.5937459949	 3.8095452031	 0.104504
+H	 0.2287750119	 2.5441357461	 3.3222458385	 0.107341
+H	-0.8864155485	 4.5508186671	 1.4736236598	 0.082064
+H	-1.3370232006	 1.7926693623	-0.6984965122	 0.081631
+H	-3.0858197776	 2.8089368814	 1.0097483021	 0.075149
+19
+0 4242	3.1247669	1.6405813	1.3303122	2.1394	73.35	-0.23946	0.06858	0.30804	989.6553	0.159086	-422.540943	-422.533671	-422.532727	-422.57338	28.97
+O	 0.4525407718	 0.7390160149	 0.4561418277	-0.44356
+C	-0.6911155414	 0.0363119614	 0.9419217324	 0.118912
+C	-1.7856770899	 0.1822983061	-0.1448972718	-0.236166
+C	-2.8932743464	 1.0566515027	 0.4489591161	 0.118422
+O	-3.8892975764	 0.2716336213	 1.1682387989	-0.315283
+C	-3.4346552233	 0.7631352451	 2.4439521461	 0.11908
+C	-2.309318514	-0.1163074676	 3.0343274532	-0.263203
+C	-1.2530887273	 0.6985010173	 2.2154519925	-0.05394
+C	-2.3810527312	 1.6772528698	 1.7685030961	-0.10509
+H	 1.1454695083	 0.6719875154	 1.1211138616	 0.278037
+H	-0.4353755196	-1.017357849	 1.1276689192	 0.065667
+H	-1.3290691612	 0.6528026771	-1.0200358622	 0.11791
+H	-2.2035940713	-0.7782745928	-0.4562746444	 0.11336
+H	-3.3793713329	 1.7114009229	-0.2808675944	 0.075641
+H	-4.2597903023	 1.0806277266	 3.0855903457	 0.073923
+H	-2.1871227961	 0.0236234044	 4.1123825632	 0.099626
+H	-2.3970268212	-1.1853241976	 2.8206974915	 0.103691
+H	-0.4494350073	 1.1158415019	 2.826668381	 0.059762
+H	-2.2876782982	 2.75382976	 1.8870389575	 0.073212
+19
+0 4243	3.3680597	1.6077155	1.420973	1.2832	73.12	-0.23111	0.08157	0.31268	976.1206	0.15943	-422.546343	-422.539459	-422.538515	-422.577328	28.302
+C	 0.3567940066	-0.4113310984	-0.3926177327	-0.401747
+C	 0.845729943	 0.8271628257	 0.344314481	 0.108334
+O	 2.2747653189	 0.9570876321	 0.1514723645	-0.290328
+C	 2.8282700558	 1.307626205	 1.4154588905	 0.077893
+C	 2.2337629911	 2.6616232939	 1.8938599129	-0.237307
+C	 1.0754380288	 2.0349774917	 2.6956666495	 0.046736
+O	 1.8268853366	 1.1825809379	 3.6162466374	-0.301923
+C	 2.0816753594	 0.385914806	 2.4370505508	 0.072203
+C	 0.6986975011	 0.7616044396	 1.862682027	-0.063029
+H	 0.7763792621	-1.3195427101	 0.0511344005	 0.119185
+H	-0.7355832629	-0.4765719489	-0.357999624	 0.11363
+H	 0.6669250308	-0.3694807331	-1.4404093712	 0.128986
+H	 0.3483841511	 1.7173180928	-0.0698424482	 0.07505
+H	 3.9124925048	 1.2355689484	 1.3506227008	 0.081977
+H	 2.8900095169	 3.2214327783	 2.5631449989	 0.110255
+H	 1.9429867347	 3.2904475398	 1.0493339776	 0.108066
+H	 0.339210014	 2.6751949718	 3.1808385044	 0.080539
+H	 2.4449806098	-0.6228506927	 2.6237223957	 0.086227
+H	-0.1529085726	 0.2098623305	 2.2566497144	 0.085252
+19
+0 4244	3.4203802	1.630838	1.4460945	2.452	73.61	-0.24266	0.09117	0.33382999999999996	969.4993	0.159607	-422.556218	-422.549381	-422.548437	-422.587149	28.143
+C	 0.2800622044	 0.5322636	 0.1580324712	-0.406376
+C	 0.7927418284	-0.8498786092	-0.2154636317	 0.120748
+O	 1.9044291013	-0.7185498203	-1.136672739	-0.271111
+C	 2.8632673212	-1.6415295933	-0.6959479076	 0.210951
+O	 2.3125700328	-2.9690405753	-0.7743660679	-0.285089
+C	 1.8314153279	-3.1145602382	 0.5778175958	 0.074432
+C	 3.1172099942	-2.8943210639	 1.4035850036	-0.248215
+C	 2.9544730109	-1.4627111236	 0.839972245	-0.102984
+C	 1.4033159224	-1.6510286618	 0.9396617624	-0.074089
+H	-0.6239895749	 0.4550256539	 0.7709585968	 0.112851
+H	 1.0354607606	 1.0923914244	 0.7177747664	 0.117427
+H	 0.0356637609	 1.0983231781	-0.7452078322	 0.129674
+H	-0.000773521	-1.4230351786	-0.713253843	 0.08532
+H	 3.7542929637	-1.5540730726	-1.3160957013	 0.089698
+H	 1.1812669526	-3.9847543011	 0.6552756406	 0.080788
+H	 2.9585050583	-2.9338262395	 2.4838525528	 0.102127
+H	 3.9917220034	-3.480487691	 1.1127484308	 0.104052
+H	 3.4855715835	-0.5871673028	 1.2081998209	 0.07892
+H	 0.9518538993	-1.5205613751	 1.9220952565	 0.080876
+19
+0 4245	3.018418	1.7096804	1.5712691	2.7545	72.68	-0.23647	0.06743	0.3039	926.2907	0.160344	-422.552708	-422.54591	-422.544965	-422.583502	28.355
+O	 0.654723764	-0.0924075617	 0.7523008799	-0.432197
+C	-0.683487247	 0.3802613066	 0.8757722365	 0.084478
+C	-1.2066945664	 0.455586483	 2.346735902	-0.255326
+C	-2.0774255345	-0.8022730906	 2.4795202362	-0.050682
+C	-1.2032291352	-2.0592250213	 2.1819770332	-0.218099
+C	-1.5212092326	-2.1288252888	 0.6772700228	 0.078867
+O	-2.9850301133	-2.192711329	 0.713049976	-0.304497
+C	-2.8774367397	-0.8132208735	 1.1284208735	 0.078328
+C	-1.6293652245	-0.6318564629	 0.2356873268	-0.029006
+H	 1.2398299	 0.5647613421	 1.1418322154	 0.283056
+H	-0.7773098161	 1.3576251797	 0.3816088964	 0.066502
+H	-0.3829855757	 0.4897167319	 3.0671618108	 0.093748
+H	-1.8065724565	 1.3634134884	 2.4854965717	 0.094785
+H	-2.6746771233	-0.856353111	 3.389694119	 0.064601
+H	-0.1456953698	-1.912944811	 2.4044889151	 0.107616
+H	-1.5676548225	-2.9600595098	 2.6796420062	 0.102116
+H	-1.056537808	-2.8968651678	 0.0608100218	 0.080282
+H	-3.7993736758	-0.2372382122	 1.04563431	 0.076817
+H	-1.8240140528	-0.5231443319	-0.8298619534	 0.078611
+19
+0 4246	3.0846071	1.7610827	1.618868	2.2034	72.99	-0.24376	0.07927	0.32303	911.4495	0.160513	-422.556587	-422.54999	-422.549046	-422.587175	28.007
+O	 0.6345210105	 0.1505677109	 0.6889096336	-0.444893
+C	-0.7424877818	 0.462863637	 0.824476844	 0.126258
+C	-1.2097977792	 0.5521885812	 2.3096108698	-0.260583
+C	-1.932454959	-0.7809755046	 2.4804018174	 0.096969
+O	-0.9609127714	-1.8242263976	 2.1463879928	-0.314497
+C	-1.3119044911	-2.071021963	 0.7667163087	 0.084745
+C	-2.8225938746	-2.3710463757	 0.8475405777	-0.245418
+C	-2.8600179239	-0.87697813	 1.2439968478	-0.075325
+C	-1.6640554726	-0.6365274206	 0.256591285	-0.053496
+H	 0.7844620897	-0.6212906447	 1.249027378	 0.286362
+H	-0.8777539805	 1.411524671	 0.2984890615	 0.08203
+H	-0.3598603197	 0.6757850437	 2.9854087579	 0.108579
+H	-1.9013384133	 1.3881933885	 2.4685683537	 0.096279
+H	-2.3704663059	-0.987452492	 3.4585239126	 0.074933
+H	-0.5749802167	-2.7278426396	 0.3075733782	 0.084139
+H	-3.2790077143	-2.5514381583	-0.1279670104	 0.10354
+H	-3.1391588612	-3.1231428521	 1.5740201292	 0.101255
+H	-3.7663514025	-0.2727144896	 1.2509397598	 0.073641
+H	-1.9101341224	-0.5812118044	-0.8030207171	 0.075481
+19
+0 4247	3.6349465	1.3602039	1.1262691	1.027	74.17	-0.24702	0.08137	0.32838999999999996	1110.5693	0.157959	-422.540167	-422.53251	-422.531565	-422.57239	29.631
+C	 0.2825982118	 0.2549370867	-0.2960141309	-0.403689
+C	 0.8864712812	-0.7041867424	 0.7122799219	 0.142703
+O	 2.3204127631	-0.5317152511	 0.8452555399	-0.312073
+C	 2.5923706351	-1.8633024671	 0.3453548866	 0.132994
+C	 3.2463641559	-2.7674378598	 1.4084634227	-0.264786
+C	 2.0921080461	-3.5466156282	 2.0151135207	 0.047663
+O	 1.4852586883	-4.4478652451	 1.0750568896	-0.264114
+C	 0.8256225629	-3.2075041163	 1.3458370349	 0.024896
+C	 1.0712578703	-2.1743196124	 0.2729835392	-0.126694
+H	 0.4435515071	 1.2892843215	 0.022822634	 0.127807
+H	 0.7388474883	 0.1257592154	-1.2825425344	 0.120846
+H	-0.7965320372	 0.08767964	-0.3868258366	 0.115263
+H	 0.3941151143	-0.5854724522	 1.6881529088	 0.073324
+H	 3.151069826	-1.8233764981	-0.5948286457	 0.078596
+H	 3.9823319226	-3.4522840176	 0.9751167288	 0.112001
+H	 3.7529575322	-2.1436888385	 2.1511840221	 0.117856
+H	 2.1347757064	-3.9100926355	 3.0388450935	 0.096089
+H	-0.1436701311	-3.2841465074	 1.8352119492	 0.095906
+H	 0.642052907	-2.4473418019	-0.6930133343	 0.085412
+19
+0 4248	3.3436218	1.3646268	1.1077211	2.9056	73.8	-0.25236	0.07179	0.32415	1108.0523	0.158276	-422.541463	-422.533779	-422.532835	-422.573711	30.099
+O	 0.3704622164	 0.2341103848	 0.5048778285	-0.432803
+C	-0.9787620745	 0.4863912217	 0.8242869599	 0.119918
+C	-2.0757140593	-0.3277540923	 0.0781014846	-0.282918
+C	-2.7984865453	 1.0021154031	-0.2841216541	-0.019684
+C	-3.9471557097	 1.4499865521	 0.6614137332	-0.267948
+C	-3.4188910588	 2.6762102615	 1.3853499635	 0.060083
+O	-2.9790844422	 3.7154503816	 0.4994797101	-0.265128
+C	-1.9888854731	 2.8705286559	 1.1020016326	 0.020427
+C	-1.5192267878	 1.7838272362	 0.1722116367	-0.03972
+H	 0.6276346139	-0.5994774217	 0.9120316948	 0.282679
+H	-1.1334309175	 0.4862178565	 1.9140699371	 0.061458
+H	-1.6463684556	-0.8128937794	-0.802750663	 0.107017
+H	-2.6408652809	-1.0659301019	 0.6549590055	 0.091302
+H	-3.0802445151	 1.1051478508	-1.3312400883	 0.080985
+H	-4.8645605621	 1.6826515785	 0.1118385999	 0.112865
+H	-4.1997562803	 0.6711927609	 1.3915958755	 0.097145
+H	-3.8880785281	 3.0219306507	 2.3039691855	 0.090118
+H	-1.3082671318	 3.3600809594	 1.7957558261	 0.095244
+H	-0.8670644182	 2.1320078316	-0.6314203183	 0.08896
+19
+0 4249	3.4577703	1.3816235	1.1269601	1.0941	74.3	-0.22493	0.07022	0.29515	1099.1664	0.157908	-422.531733	-422.524004	-422.523059	-422.564036	30.42
+O	 0.3811419866	 0.2239981856	 0.4366574709	-0.434899
+C	-0.9440991664	 0.4823832746	 0.842538179	 0.119342
+C	-2.078648986	-0.3544034598	 0.1752088471	-0.288496
+C	-2.7880663741	 0.9627079186	-0.222911586	 0.095405
+O	-3.8326945834	 1.3350724709	 0.6792921035	-0.277856
+C	-3.4589855118	 2.5006307717	 1.3735387507	 0.11698
+C	-3.1238972267	 3.7360241301	 0.5778024228	-0.335384
+C	-2.0185200503	 2.8448274968	 1.1225358799	-0.089364
+C	-1.5183385976	 1.7688395658	 0.1889616693	-0.049112
+H	 0.6610735874	-0.6079260996	 0.8319333897	 0.2832
+H	-1.0280996995	 0.5079523124	 1.9381194018	 0.066947
+H	-1.6960061511	-0.8946262377	-0.6953543617	 0.103729
+H	-2.6587015147	-1.0285304572	 0.8084775512	 0.105359
+H	-3.1491814436	 1.039259581	-1.2520986373	 0.078285
+H	-3.9421829007	 2.5727026565	 2.3408549125	 0.098562
+H	-3.3195713879	 3.7287706448	-0.4897876751	 0.116631
+H	-3.2687731815	 4.6989584641	 1.0562012513	 0.112504
+H	-1.3666443911	 3.21394547	 1.9066548353	 0.092676
+H	-0.8936399078	 2.1134171715	-0.6381296746	 0.085492
+19
+0 4250	2.8256461	1.7334567	1.241582	1.0762	74.66	-0.23124	0.0501	0.28134	1037.1382	0.157071	-422.496634	-422.48885	-422.487906	-422.528698	30.274
+C	 2.6814964164	-0.5043743533	-1.5145336495	-0.39368
+C	 1.8593811909	-0.0150597619	-0.3229489861	-0.115115
+C	 2.3525877135	-0.5794977078	 1.0629477294	-0.26365
+C	 3.0599664346	 0.7750286347	 1.3832072613	 0.034846
+O	 2.3744470853	 1.6291083702	 2.3334423879	-0.30593
+C	 1.5617735229	 2.174855401	 1.277897785	-0.017966
+C	 2.1527189973	 3.3796131587	 0.5055199226	-0.115449
+O	 2.6436101335	 2.5080658555	-0.558766405	-0.339583
+C	 2.2700468829	 1.3612467822	 0.1832913374	 0.450862
+H	 2.4825281968	-1.5630858309	-1.7104020539	 0.115082
+H	 2.4389536802	 0.0637648906	-2.4175825169	 0.129879
+H	 3.7558584558	-0.3925364028	-1.3314597562	 0.119543
+H	 0.7910500927	-0.1340472304	-0.5313139518	 0.072713
+H	 1.5558336946	-0.8075474879	 1.773048721	 0.115334
+H	 3.0223152399	-1.4388453345	 0.983103142	 0.107592
+H	 4.14260089	 0.7714470503	 1.5188584367	 0.087329
+H	 0.4942686776	 2.1826950833	 1.5079604144	 0.089739
+H	 1.4298406819	 4.1037293666	 0.1149394342	 0.111246
+H	 2.962903013	 3.8951700865	 1.0310443177	 0.11721
+19
+0 4251	2.8397351	1.7262488	1.2439959	1.4933	74.98	-0.23906	0.06152	0.30058	1038.1491	0.157054	-422.497774	-422.489947	-422.489003	-422.529909	30.272
+C	 0.4695262317	-0.4326663687	-0.4873734341	-0.398161
+C	 0.7797640274	 0.6770659736	 0.5015840392	 0.036666
+O	 1.9470976767	 1.4674004058	 0.1036989493	-0.314653
+C	 2.8089976945	 0.8612743624	 1.1011843118	 0.039465
+C	 3.063212263	 1.7641469294	 2.3356391084	-0.264277
+C	 1.761724842	 1.2049264634	 2.9780536952	-0.143491
+C	 1.8499356342	-0.1545765754	 3.7211063876	-0.109608
+O	 1.4373319009	-0.8976299518	 2.533456684	-0.328922
+C	 1.5271497713	 0.2802424277	 1.7632692089	 0.42971
+H	-0.3866311549	-1.0208740649	-0.1410203443	 0.124994
+H	 0.225165022	-0.0045249927	-1.464031237	 0.125817
+H	 1.3237179434	-1.1053498748	-0.6071251007	 0.125114
+H	-0.0940304425	 1.3248525355	 0.6484160689	 0.079086
+H	 3.63124757	 0.2936675156	 0.6576188068	 0.077885
+H	 3.9827377382	 1.541674897	 2.8860669447	 0.101216
+H	 3.0363612789	 2.8305091085	 2.1008453185	 0.117072
+H	 1.0101921021	 1.9006671895	 3.3512120978	 0.080788
+H	 2.8530435071	-0.4485309035	 4.0532163631	 0.106703
+H	 1.137121564	-0.3003969366	 4.5383877119	 0.114595
+19
+0 4252	2.9539557	1.6265597	1.2097873	1.2818	74.9	-0.24407	0.06121	0.30528	1053.2526	0.157072	-422.495761	-422.487939	-422.486995	-422.527915	30.187
+C	 0.5066455014	-0.5244631132	-0.303018006	-0.400172
+C	 0.8230992129	 0.8112161261	 0.3485123869	 0.019098
+O	 2.1059530334	 1.3460377374	-0.1028019453	-0.315862
+C	 2.7390251699	 1.0986889703	 1.1764196527	 0.077158
+C	 2.889118471	 2.3643500927	 2.0584537461	-0.266387
+C	 1.5000027598	 2.0475290898	 2.6624457027	 0.071122
+O	 1.5537585283	 1.1923461041	 3.8334015447	-0.298163
+C	 1.1353489821	 0.025447749	 3.0762802773	-0.193124
+C	 1.3449158048	 0.7837242062	 1.7780750951	 0.269631
+H	-0.4505950609	-0.9127109253	 0.0623322596	 0.11698
+H	 0.4361980584	-0.4036389962	-1.3881405388	 0.130604
+H	 1.2862714899	-1.2624742648	-0.0904710516	 0.119591
+H	 0.0149757963	 1.5299978635	 0.158113944	 0.081027
+H	 3.5709144711	 0.3923897835	 1.0974118683	 0.075511
+H	 3.694905059	 2.3305244745	 2.7958854504	 0.113564
+H	 2.9515501415	 3.2880592764	 1.4778262316	 0.113653
+H	 0.7515817921	 2.8396805441	 2.7639385293	 0.074723
+H	 1.7711125853	-0.847041197	 3.2671424664	 0.108324
+H	 0.0901688135	-0.2367965811	 3.2941132866	 0.102722
+19
+0 4253	2.7740649	1.7443513	1.2483847	2.1368	74.59	-0.23179	0.05855	0.29034	1025.0122	0.157686	-422.504848	-422.497088	-422.496144	-422.536925	30.401
+O	 0.1283160717	-0.234290109	-0.1011740124	-0.436353
+C	-0.8545278871	 0.2719916779	 0.7864336739	 0.003966
+C	-2.2084719467	-0.4418934867	 0.4971142589	-0.245788
+C	-2.6918240076	 0.7616260214	-0.3835276965	-0.099872
+C	-3.6950889309	 1.737511091	 0.2899339579	-0.252595
+C	-2.5045360981	 2.4502345626	 0.9930950807	-0.160175
+C	-1.7793768046	 3.5631819226	 0.1959331689	-0.101908
+O	-0.7965367149	 2.6289404903	-0.3365188889	-0.34313
+C	-1.4930584506	 1.5427717793	 0.2527372753	 0.492281
+H	 0.7629525271	 0.4743407298	-0.2585795126	 0.293561
+H	-0.4889449025	 0.2809160748	 1.8237545171	 0.057105
+H	-2.0700565875	-1.3794758924	-0.0421908162	 0.121878
+H	-2.8171294775	-0.6197538063	 1.3871912553	 0.098885
+H	-2.7816945768	 0.5548960807	-1.4492871553	 0.077388
+H	-4.2458266053	 2.377889522	-0.4057671403	 0.101046
+H	-4.4165654398	 1.2678131289	 0.9649897044	 0.100906
+H	-2.5234094864	 2.573462406	 2.0764427731	 0.077389
+H	-2.3661255781	 4.0346261626	-0.6020199691	 0.105331
+H	-1.2955900345	 4.3393170344	 0.798115066	 0.110085
+19
+0 4254	2.8375931	1.6208763	1.1949277	1.6792	74.53	-0.2424	0.05111	0.29351	1051.4555	0.157455	-422.499157	-422.491299	-422.490355	-422.531463	30.546
+O	 0.7573684515	 0.0325809267	 0.9368612502	-0.428906
+C	-0.5989053297	 0.4343058704	 0.8761586568	 0.016658
+C	-1.4319261281	 0.1605516318	 2.1723465586	-0.268473
+C	-1.447305473	 1.6861212194	 2.518325824	-0.088946
+C	-2.7411527726	 2.4606798929	 2.1456725476	-0.252302
+C	-2.1733233672	 2.6603529872	 0.7208500507	 0.071936
+O	-1.4367020665	 3.8948868124	 0.5567364821	-0.295932
+C	-0.157923547	 3.2125116104	 0.6574344548	-0.185713
+C	-0.8513794877	 1.928488145	 1.0852087914	 0.296858
+H	 1.1402568825	 0.3793945853	 1.7503526667	 0.279484
+H	-0.9806369694	 0.0049595253	-0.0547752874	 0.087346
+H	-2.420376762	-0.2744190658	 1.9991060183	 0.105395
+H	-0.8990415637	-0.4715402712	 2.887866188	 0.104775
+H	-0.9255729599	 1.9667688778	 3.4354790908	 0.065285
+H	-3.6672977411	 1.8813390172	 2.2150323912	 0.09757
+H	-2.8760619593	 3.4117459939	 2.6659649468	 0.1142
+H	-2.7968364309	 2.4330082498	-0.150423422	 0.072383
+H	 0.3434531284	 3.1541920643	-0.3187048006	 0.107822
+H	 0.5141817355	 3.6943259071	 1.3779010923	 0.100558
+19
+0 4255	2.8232474	1.6449227	1.199737	1.1068	74.58	-0.23751	0.04678	0.28429	1051.2375	0.157274	-422.503257	-422.495369	-422.494425	-422.535508	30.789
+O	-0.5834890859	 0.8025336487	-0.161193088	-0.42706
+C	-1.8667861162	 0.3535819393	 0.2288692031	 0.014709
+C	-2.993019903	 0.5100036847	-0.8502228826	-0.279094
+C	-3.0581681844	-1.0348124671	-1.022300862	 0.055228
+O	-4.1481596944	-1.6806986838	-0.3295800758	-0.303244
+C	-3.3180192145	-1.8528190041	 0.8361966787	 0.066669
+C	-2.5007572499	-3.1769094627	 0.8815138946	-0.237304
+C	-1.2105619723	-2.3921942963	 0.4646935867	-0.354563
+C	-2.0856003116	-1.1663022793	 0.1861705569	 0.292782
+H	-0.35818356	 0.3876618779	-1.0010819045	 0.278187
+H	-2.0531568361	 0.8315258638	 1.1947529818	 0.087541
+H	-3.9315261532	 0.9447057453	-0.4995867617	 0.117122
+H	-2.6523405741	 1.0565996949	-1.7346614552	 0.10184
+H	-2.8990918774	-1.4442751781	-2.0243793125	 0.074318
+H	-3.8072084811	-1.5263381216	 1.7585752535	 0.076137
+H	-2.4546045955	-3.6658089069	 1.8571352892	 0.105717
+H	-2.8569582499	-3.8945980281	 0.1398956234	 0.116671
+H	-0.5332779385	-2.2297426872	 1.3083075891	 0.115599
+H	-0.6277066821	-2.7910994495	-0.3700585546	 0.098744
+19
+0 4256	2.8339513	1.5864966	1.273298	2.2233	76.53	-0.24468	0.00549	0.25017	1051.8265	0.156749	-422.561626	-422.553273	-422.552329	-422.594113	32.302
+C	 0.3719458669	 0.5999793482	 0.2107001098	-0.398742
+C	 0.7981474373	-0.7307677476	-0.3796376695	 0.115495
+O	 2.1077623251	-0.669677398	-1.0044246797	-0.316248
+C	 2.7144333815	-1.5014121113	 0.0099329353	 0.062863
+C	 3.2858867874	-2.8088934828	-0.5520961791	-0.289791
+C	 2.1250874284	-3.7713745888	-0.4235958398	-0.056224
+C	 1.0688805702	-3.2378330552	 0.192478273	-0.177868
+C	 1.3078292611	-1.8115482312	 0.610210335	 0.313969
+O	 1.0015687476	-1.5308133991	 1.953375855	-0.477425
+H	 1.0909968267	 0.9517211819	 0.95400738	 0.127141
+H	 0.2955247379	 1.3455313224	-0.5868372447	 0.118654
+H	-0.6047056859	 0.5078311236	 0.6959544603	 0.119992
+H	 0.050751018	-1.0917333097	-1.0976217924	 0.07464
+H	 3.4085628047	-0.9336206959	 0.638597195	 0.074446
+H	 3.5909857542	-2.6611974546	-1.5945466377	 0.127462
+H	 4.1715395585	-3.1615029918	-0.0070684489	 0.103324
+H	 2.1675735103	-4.7838653026	-0.8118731661	 0.100718
+H	 0.1244180055	-3.7365743072	 0.3837156821	 0.098721
+H	 1.2919850244	-2.2784961002	 2.4863954623	 0.278872
+19
+0 4257	2.8686065	1.5547922	1.2668967	2.9528	75.91	-0.23843	0.00503	0.24346	1046.6594	0.1571	-422.567441	-422.559035	-422.55809	-422.600088	32.609
+O	 0.2476173334	-0.5993994151	 0.5755617575	-0.453336
+C	-0.3663134084	 0.574668164	 1.0576491534	 0.090218
+C	-1.6411635817	 0.2457579192	 1.8772183699	-0.245845
+C	-0.851287449	 0.4263482597	 3.2107188726	-0.078755
+C	-1.3740045388	 1.4934567896	 4.1862243624	-0.290883
+C	-0.7449490172	 2.7672214239	 3.6639277755	-0.055531
+C	 0.1314098893	 2.5519200555	 2.6806942723	-0.172801
+C	 0.2968623092	 1.0897448096	 2.3684147054	 0.368829
+O	 1.6361539405	 0.6389317483	 2.4510096602	-0.496079
+H	 1.1642079832	-0.5749747023	 0.878565882	 0.295043
+H	-0.4751507536	 1.3153027427	 0.2532921746	 0.059705
+H	-2.4393979078	 0.9828727856	 1.7543361761	 0.096153
+H	-2.0341971325	-0.7523718618	 1.680535702	 0.112154
+H	-0.5802440747	-0.5205312167	 3.678711711	 0.075276
+H	-2.4702822544	 1.5472199825	 4.1778909123	 0.111944
+H	-1.08751436	 1.3092831453	 5.2307052284	 0.104449
+H	-1.0018939258	 3.7444598219	 4.0601614559	 0.099479
+H	 0.7007422151	 3.3131820769	 2.1577174842	 0.098226
+H	 2.0054120933	 0.9155947913	 3.2956706243	 0.281752
+19
+0 4258	3.3768889	1.4045365	1.207808	1.0812	76.22	-0.24987	0.01557	0.26544	1090.3835	0.15833	-422.580825	-422.573024	-422.57208	-422.61342	29.844
+C	 0.3139809745	-0.1113703941	-0.7710462219	-0.402302
+C	 0.972925529	 0.2551351089	 0.5391902433	 0.229147
+O	 2.057658844	-0.6079537319	 0.8037030307	-0.26883
+C	 2.9187318128	 0.0944329379	 1.6912744111	 0.073208
+C	 4.3922946216	-0.1996956252	 1.3563637995	-0.284069
+C	 4.8324066882	 1.0238329669	 0.5888420716	-0.061676
+C	 3.9117149715	 1.9856567002	 0.5732178488	-0.087693
+C	 2.6659724769	 1.586398054	 1.3194149756	 0.064487
+O	 1.5107233453	 1.5639970325	 0.4764014844	-0.283701
+H	-0.0930634559	-1.1242670069	-0.715647967	 0.125423
+H	-0.5008480252	 0.5848790525	-0.98420982	 0.127629
+H	 1.0504371944	-0.0606092485	-1.5764053442	 0.131513
+H	 0.2496046219	 0.201629557	 1.3764807726	 0.054719
+H	 2.6598556154	-0.1356623565	 2.732737057	 0.070582
+H	 4.9889413732	-0.3420363012	 2.2658756946	 0.109087
+H	 4.4743230034	-1.1237723161	 0.7736264816	 0.125204
+H	 5.8057085892	 1.0863206854	 0.1134160443	 0.097711
+H	 4.0048124955	 2.949711046	 0.0875329996	 0.102085
+H	 2.4640571144	 2.224861729	 2.1899888285	 0.077476
+19
+0 4259	2.6695468	1.537131	1.1074578	4.346	74.62	-0.25874	0.01228	0.27102000000000004	1124.8996	0.158403	-422.595955	-422.587903	-422.586959	-422.628871	30.333
+C	-1.4535094221	-3.3034286493	-1.3495914361	-0.409717
+C	-1.4516873958	-1.7796446622	-1.3340769468	 0.030663
+C	-2.8145599578	-1.1264958254	-0.9428770035	-0.254617
+C	-2.2364772658	-0.7486422348	 0.4534852773	-0.03022
+C	-2.1081969008	 0.739973481	 0.7816941149	-0.102344
+O	-0.9284045297	 1.2045291806	 0.1034162014	-0.224864
+C	-0.135701759	 0.1728810406	-0.308234878	 0.437497
+O	 0.9282559157	 0.3576271768	-0.824989819	-0.346616
+C	-0.8293841864	-1.1551339497	-0.0442675587	-0.189836
+H	-1.8801475253	-3.7117957047	-0.4259716957	 0.11345
+H	-2.0490669526	-3.6820955489	-2.187228667	 0.119642
+H	-0.4371738636	-3.6976979375	-1.4524112133	 0.125935
+H	-1.0089346282	-1.4017904892	-2.2597573409	 0.095228
+H	-3.074185957	-0.2538468018	-1.5490509986	 0.110241
+H	-3.6712575583	-1.8045947205	-0.931499073	 0.104667
+H	-2.6535120368	-1.3196481588	 1.2831010005	 0.083959
+H	-2.9537184031	 1.3375157929	 0.4282745229	 0.121587
+H	-1.9785646021	 0.9176980679	 1.8556856574	 0.115252
+H	-0.1890576212	-1.8036441973	 0.5569005763	 0.100094
+19
+0 4260	2.5692413	1.5487779	1.0943777	2.1436	74.96	-0.23828	-0.02713	0.21115	1133.3093	0.156863	-422.566748	-422.558408	-422.557463	-422.600454	31.093
+C	-1.2598921019	-3.4413578729	-1.237013984	-0.405261
+C	-1.2102001092	-1.9199557629	-1.3129465282	 0.019759
+C	-2.5967406569	-1.2038431011	-1.2791130259	-0.273137
+C	-2.2901834892	-0.6815660437	 0.1554846964	 0.127409
+O	-2.2472438449	 0.7320317314	 0.3356070836	-0.266111
+C	-0.9944786337	 1.2315931342	-0.0882070996	-0.195264
+C	-0.0191964279	 0.0469032879	-0.1283215001	 0.368053
+O	 1.1701100575	 0.1237802374	-0.2921194495	-0.306205
+C	-0.8472903337	-1.218426421	 0.0432163186	-0.184263
+H	-1.8902709806	-3.7791106186	-0.4063870062	 0.115931
+H	-1.6729348112	-3.8614198977	-2.1605133447	 0.120168
+H	-0.2598706853	-3.8631487503	-1.0921502028	 0.12533
+H	-0.5646050871	-1.6174690146	-2.1427608615	 0.088086
+H	-2.7068370618	-0.3926476814	-2.0029416756	 0.110426
+H	-3.4638688787	-1.8638266765	-1.3638792165	 0.105263
+H	-2.9296727465	-1.0865591615	 0.9413172994	 0.08954
+H	-1.0429492398	 1.6864169417	-1.0910759172	 0.123153
+H	-0.6475821285	 2.0009350393	 0.6093845519	 0.138562
+H	-0.4318982208	-1.8548780096	 0.8269660219	 0.098561
+19
+0 4261	2.580622	1.5632287	1.1116761	1.686	75.08	-0.24013	-0.02254	0.21759	1124.2041	0.157383	-422.5794	-422.571228	-422.570284	-422.612303	30.911
+C	-0.8709269527	-3.1739009011	-1.6312930141	-0.405468
+C	-0.8814571654	-1.6712441375	-1.4262875934	 0.146744
+O	-2.2120990617	-1.1049231262	-1.5219068526	-0.313428
+C	-2.2171045064	-0.743556697	-0.1197590217	 0.122511
+C	-2.2896050395	 0.7724706555	 0.1011297203	-0.23865
+C	-0.87314523	 1.2887449132	-0.2033830212	-0.325591
+C	 0.0551353703	 0.1216163399	 0.1583734317	 0.399987
+O	 1.2117907051	 0.2052411638	 0.4819669138	-0.320591
+C	-0.7430284224	-1.173882531	 0.0415737932	-0.200586
+H	-1.5227235504	-3.6733423114	-0.9080666545	 0.121736
+H	-1.2246420324	-3.4159824101	-2.638277403	 0.130543
+H	 0.1449416585	-3.5673696449	-1.5181421642	 0.124667
+H	-0.201761766	-1.1880494554	-2.1406190941	 0.087523
+H	-2.9835131458	-1.2979419498	 0.4314273787	 0.079086
+H	-3.0654044977	 1.22299553	-0.5230677008	 0.119113
+H	-2.548942203	 0.9655884904	 1.1490604798	 0.107522
+H	-0.7514717431	 1.4869848042	-1.275928734	 0.140767
+H	-0.5850296485	 2.1957973291	 0.3304695292	 0.127793
+H	-0.4488567889	-1.9182532317	 0.7804649169	 0.096323
+19
+0 4262	2.4173332	1.5614775	1.084495	3.7269	75.01	-0.23266	-0.01721	0.21545	1130.4089	0.157702	-422.577401	-422.56918	-422.568236	-422.610749	31.324
+O	-0.5097267361	-3.0658978206	-1.6341867878	-0.424374
+C	-0.8823482538	-1.7348081401	-1.4065649079	 0.159192
+C	-2.3934391725	-1.3730963735	-1.4578342776	-0.276221
+C	-2.3055518717	-0.7427102428	-0.0379274976	-0.022535
+C	-2.291167482	 0.8037218493	 0.0482981444	-0.230279
+C	-0.8441305412	 1.2366474239	-0.2461774764	-0.323115
+C	 0.0200126453	 0.0564507696	 0.2188636638	 0.399331
+O	 1.1564805674	 0.1201065303	 0.6124065722	-0.319709
+C	-0.8200428858	-1.2027772272	 0.0804234596	-0.176416
+H	-1.033176604	-3.6324965757	-1.0569302481	 0.28046
+H	-0.2652344541	-1.1465559609	-2.0919115732	 0.099238
+H	-2.7049206548	-0.7100547431	-2.2707004668	 0.103018
+H	-3.0209771355	-2.2690289153	-1.4949500869	 0.099995
+H	-3.0073815566	-1.1703599448	 0.6798433222	 0.075402
+H	-3.0216973914	 1.2595130057	-0.6266809401	 0.104809
+H	-2.5596463264	 1.1094442584	 1.0652532147	 0.109819
+H	-0.675167449	 1.3607661952	-1.3249942624	 0.128448
+H	-0.5341654356	 2.16572724	 0.2351581936	 0.127021
+H	-0.5441842021	-1.9690977984	 0.8058326244	 0.085916
+19
+0 4263	2.2691521	1.7307793	1.0782694	1.1478	79.25	-0.228	0.00499	0.23299	1131.924	0.156749	-422.531516	-422.522947	-422.522003	-422.564563	32.295
+C	-0.2120480798	 1.4026178093	 0.1071730224	-0.502208
+C	-0.1015336257	-0.0702649983	-0.123084846	 0.13898
+C	-1.0482891359	-0.9731910215	-0.3722695725	 0.063225
+C	-2.4392688545	-1.3498706501	 0.1038802675	 0.069923
+O	-3.1707515711	-0.4514846692	 0.8905959153	-0.423021
+C	-1.7276775289	-2.5995576129	 0.7672653164	-0.301069
+C	-0.5147460093	-2.3589518751	-0.1988699229	 0.096542
+O	 0.8200382722	-2.2192150347	 0.2578714729	-0.279265
+C	 1.201024985	-0.8474749623	 0.0588278639	-0.147086
+H	 0.2516013139	 1.6973937667	 1.0573909916	 0.123278
+H	 0.3049394735	 1.968402423	-0.6784852709	 0.135445
+H	-1.2577000155	 1.7203025731	 0.1126932111	 0.139384
+H	-3.1129225121	-1.665226282	-0.6982017203	 0.105553
+H	-2.5927209303	-0.1509694498	 1.6008095522	 0.280555
+H	-1.4473060947	-2.3765242632	 1.7999960166	 0.107343
+H	-2.2485835157	-3.5583150366	 0.711801326	 0.104722
+H	-0.5514033825	-3.0276928957	-1.0691469147	 0.078647
+H	 1.8854937832	-0.7653933716	-0.8017380962	 0.102569
+H	 1.749926628	-0.4980291192	 0.9447163176	 0.106483
+19
+0 4264	2.0725718	1.6722008	1.3186614	2.5978	75.82	-0.24375	-0.03861	0.20514	1077.113	0.155696	-422.534393	-422.52566	-422.524716	-422.56799	32.048
+C	 1.0199397479	-0.4928205477	-1.1242180022	-0.410121
+C	 0.9514348882	 0.164601718	 0.2437383604	-0.017615
+C	 1.6510718402	 1.5457483688	 0.4551955323	-0.25712
+C	 2.4216856894	 0.9824062351	 1.6774602689	-0.128062
+C	 3.7645197046	 0.3201592909	 1.3368118741	-0.087947
+O	 3.1182879688	-0.9211830341	 0.9599178404	-0.33456
+C	 1.8241368163	-0.4415304062	 1.3759281879	 0.332082
+C	 1.1848274863	-1.3174565536	 2.4122238222	 0.087613
+O	 0.0266391492	-1.2328538026	 2.739619676	-0.259815
+H	 0.5359363542	-1.4751445967	-1.1173154564	 0.122467
+H	 0.5144322764	 0.124435171	-1.8743334044	 0.115472
+H	 2.0592232559	-0.6333064038	-1.4348831891	 0.127669
+H	-0.0783457498	 0.2007667084	 0.6117423277	 0.100719
+H	 2.3042012574	 1.8587922394	-0.365152474	 0.102204
+H	 0.9689487146	 2.3665065465	 0.6846137295	 0.110971
+H	 2.3189084439	 1.4888603454	 2.6355559254	 0.092841
+H	 4.3317223178	 0.7616554079	 0.5085650115	 0.106891
+H	 4.4342337038	 0.1698973332	 2.1928783508	 0.107988
+H	 1.8813050147	-2.0505781697	 2.8767096791	 0.088324
+19
+0 4265	2.0867428	1.6334936	1.269592	1.1064	75.9	-0.25198	-0.03605	0.21592999999999998	1089.4624	0.155937	-422.532252	-422.523567	-422.522623	-422.565989	31.887
+C	 0.7221532908	-0.2778817065	-0.9772339793	-0.419934
+C	 0.9196995031	 0.3855960611	 0.3777839028	-0.04036
+C	 1.874073762	 1.6213597159	 0.4685436319	-0.256772
+C	 2.6899622742	 0.9202535946	 1.5734310821	 0.077584
+O	 3.8172745187	 0.1837307871	 1.0756120243	-0.282145
+C	 3.0561089243	-1.0415418126	 1.0290922771	-0.141342
+C	 1.7521799354	-0.347984427	 1.4702917234	 0.175653
+C	 1.0364784375	-0.8974239637	 2.6588782207	 0.064642
+O	-0.1442663644	-0.7680294216	 2.8728911158	-0.254389
+H	 0.1624168106	-1.2148083506	-0.8839031777	 0.12325
+H	 0.1568329848	 0.3816904478	-1.6440915212	 0.122964
+H	 1.6752545258	-0.4979320882	-1.4695284128	 0.119978
+H	-0.0543172708	 0.6176636316	 0.816004591	 0.105923
+H	 2.4766496579	 1.816819221	-0.4220330058	 0.11389
+H	 1.3855439293	 2.5473827971	 0.7812408009	 0.109121
+H	 2.9097002633	 1.4550041628	 2.5012969036	 0.088128
+H	 3.0592474365	-1.5033012504	 0.0359730513	 0.112708
+H	 3.4313911771	-1.7696820324	 1.7617334518	 0.105617
+H	 1.6918660839	-1.4335984962	 3.3847199001	 0.075485
+19
+0 4266	2.3296455	1.5043761	1.2320885	1.3623	76.24	-0.25225	-0.03455	0.21769999999999998	1104.1358	0.155813	-422.53725	-422.528608	-422.527664	-422.570732	32.017
+C	 0.9474133102	-0.4724695215	-1.0452468645	-0.412496
+C	 0.9830939409	 0.2576285268	 0.279656659	 0.100609
+O	 1.798162273	 1.4576600895	 0.2529194583	-0.308163
+C	 2.4731308497	 1.0885074214	 1.4632537976	 0.080869
+C	 3.8316015616	 0.3972123461	 1.2258799134	-0.227982
+C	 3.124799135	-0.9930741074	 1.2159003495	-0.309532
+C	 1.7588407212	-0.3196185227	 1.4934642392	 0.176004
+C	 0.9667941018	-0.7783336075	 2.6705067785	 0.062065
+O	 1.3152076393	-1.6337933631	 3.4473597985	-0.255341
+H	 0.3420351697	-1.3816776389	-0.9649869533	 0.124094
+H	 0.4964118536	 0.1715727546	-1.8065732198	 0.134458
+H	 1.9497914659	-0.7447350387	-1.3848395387	 0.127687
+H	-0.0426841936	 0.5220937637	 0.5822991756	 0.078046
+H	 2.3833102888	 1.8461388934	 2.2468012825	 0.086622
+H	 4.3084072367	 0.7094486872	 0.2946755133	 0.11571
+H	 4.5373631552	 0.5238202966	 2.0506855215	 0.110662
+H	 3.1916341642	-1.5661184126	 0.2895452286	 0.106791
+H	 3.41144815	-1.6399925994	 2.0463036556	 0.135866
+H	 0.0010015867	-0.2385884074	 2.8122490253	 0.074031
+19
+0 4267	2.065305	1.653969	1.2834964	2.5069	76.11	-0.24379	-0.02514	0.21865	1080.9896	0.156066	-422.542239	-422.53342	-422.532476	-422.57603	32.533
+O	 0.5785266491	-0.6994795123	-0.2223761834	-0.431521
+C	-0.6489844114	-0.6116746255	 0.4643466293	 0.058553
+C	-0.6217494903	-0.3800611589	 2.0070305773	-0.275646
+C	-1.5054107534	 0.8855288626	 1.8426903671	-0.067672
+C	-0.7278789572	 2.2189580223	 1.7809618708	-0.216779
+C	-0.456720136	 1.9944184218	 0.265324832	-0.302315
+C	-1.3669839201	 0.7321986106	 0.2545886771	 0.259131
+C	-2.5740487856	 0.7510078579	-0.6221750445	 0.059108
+O	-3.1092010304	-0.2280310045	-1.0843724037	-0.262315
+H	 0.9070520979	-1.6002421916	-0.145062894	 0.288034
+H	-1.3246690134	-1.4285653398	 0.1849645773	 0.094767
+H	-1.0584221891	-1.1838406743	 2.6040173885	 0.103681
+H	 0.3800338124	-0.1595847354	 2.3867099841	 0.10321
+H	-2.4751316917	 0.8723521771	 2.3402128999	 0.078261
+H	-1.3627107595	 3.088736934	 1.9694922101	 0.103656
+H	 0.1467170902	 2.285930587	 2.434404835	 0.102106
+H	-0.8195659993	 2.7985106956	-0.380832982	 0.105571
+H	 0.574974281	 1.7704950056	-0.0079946744	 0.132732
+H	-2.9947431932	 1.7678577477	-0.8078970565	 0.06744
+19
+0 4268	2.5903359	1.5837628	1.4695867	2.5249	74.22	-0.22837	-0.02113	0.20723999999999998	1008.436	0.158614	-422.580614	-422.572789	-422.571844	-422.612811	30.222
+C	-3.1950409775	 1.4759960294	 1.3153053558	-0.412928
+C	-1.8114999784	 0.8330953251	 1.2609859432	 0.019257
+C	-1.8298536528	-0.7463267139	 1.2704848615	-0.248507
+C	-0.9998660071	-1.1434568693	 0.0209589495	-0.158431
+C	-1.8017113817	-0.7260707669	-1.2192068108	-0.07707
+O	-1.8213909332	 0.7256614085	-1.1686229449	-0.287908
+C	-1.0324264938	 1.1252421306	-0.0401537808	-0.01233
+C	 0.0184622335	 0.0069026081	 0.0185286753	 0.429079
+O	 1.2134760554	 0.0247692954	 0.0783450715	-0.323775
+H	-3.7421162615	 1.1425808228	 2.2033235464	 0.114596
+H	-3.1242955043	 2.5680060122	 1.3540027073	 0.11684
+H	-3.777260954	 1.2087407219	 0.429284155	 0.133433
+H	-1.2107505532	 1.192940696	 2.1053439073	 0.086007
+H	-1.3841389495	-1.1448878614	 2.1851873865	 0.112949
+H	-2.8507256647	-1.1353007783	 1.2002424446	 0.107042
+H	-0.5953802763	-2.1531434127	 0.001435331	 0.091194
+H	-1.3235387504	-1.0484721099	-2.1526966153	 0.112281
+H	-2.8327533046	-1.0987190089	-1.2046777177	 0.105621
+H	-0.676980596	 2.1434956114	-0.1876517753	 0.09265
+19
+0 4269	2.2925467	1.7521939	1.4698406	2.6282	73.99	-0.2278	-0.02198	0.20582	1003.4265	0.158617	-422.580827	-422.573027	-422.572083	-422.612998	30.216
+C	-1.1463468953	 1.347039251	-2.5466001882	-0.421695
+C	-1.7875470961	 0.7457703344	-1.2951250345	 0.024683
+C	-1.7322279315	-0.83265866	-1.2738788376	-0.248358
+C	-0.966526268	-1.1354316447	 0.0238714857	 0.003273
+O	-1.8008641413	-0.8051877081	 1.1414706699	-0.289008
+C	-1.8823192667	 0.6434326285	 1.2029682522	-0.088704
+C	-1.0406687786	 1.1323275933	 0.0158118815	-0.158099
+C	 0.0314734373	 0.0333488812	 0.0337079503	 0.429258
+O	 1.2277526915	 0.0739979771	 0.0217529516	-0.326907
+H	-1.6560297211	 0.9961100143	-3.4499020109	 0.119535
+H	-1.1973008309	 2.4407119051	-2.5341302336	 0.117888
+H	-0.0910886876	 1.0626775438	-2.627199765	 0.132157
+H	-2.8259995053	 1.085987141	-1.2261699346	 0.080492
+H	-2.7243123102	-1.288884659	-1.2469383192	 0.115929
+H	-1.1991918151	-1.2200830707	-2.1489099298	 0.109294
+H	-0.5690080933	-2.1400084242	 0.1517333272	 0.095923
+H	-2.9336401846	 0.9482995041	 1.132381788	 0.104282
+H	-1.481814036	 0.9852210324	 2.1651767151	 0.11181
+H	-0.686883817	 2.1594715507	 0.0802906621	 0.088247
+19
+0 4270	2.2990586	1.7702443	1.4859354	2.4892	74.27	-0.22654	-0.02057	0.20597	1001.4695	0.158499	-422.585309	-422.577476	-422.576532	-422.617491	30.366
+C	-1.0579350656	 1.0947384938	-2.5742674871	-0.408658
+C	-1.7097324779	 0.6202226371	-1.2845252997	 0.143602
+O	-1.5726457812	-0.8314852493	-1.1770675781	-0.305513
+C	-0.8961807044	-1.1174705654	 0.0525458883	 0.006453
+C	-1.8512777488	-0.8332269504	 1.2233386831	-0.23123
+C	-1.9568773266	 0.7373315443	 1.2012852684	-0.243529
+C	-1.0547141748	 1.146379078	 0.0081755097	-0.152866
+C	 0.0493028665	 0.0894691977	 0.1559005429	 0.425494
+O	 1.2325731715	 0.1770286925	 0.3149563008	-0.327279
+H	-1.4692595958	 0.5413777653	-3.4231107337	 0.130576
+H	-1.2458984323	 2.1618197809	-2.7330542326	 0.115581
+H	 0.0240944668	 0.9310475316	-2.5513662905	 0.13197
+H	-2.7832160771	 0.8522730446	-1.3009586657	 0.076435
+H	-0.445860855	-2.106518829	-0.0002274518	 0.094955
+H	-2.8127080859	-1.3223013789	 1.0526586551	 0.117818
+H	-1.4430592514	-1.1980920689	 2.1706795534	 0.112652
+H	-2.98429448	 1.0817743745	 1.0571859275	 0.110773
+H	-1.5882070971	 1.1729743606	 2.1334692579	 0.113644
+H	-0.7323248809	 2.1849461409	-0.0215063778	 0.089124
+19
+0 4271	2.5101969	1.5617771	1.4499895	2.8893	73.49	-0.23433	-0.01375	0.22058	1007.361	0.159443	-422.594612	-422.586833	-422.585889	-422.626814	30.444
+O	-3.0799235675	 1.4749710549	-1.3217980657	-0.436739
+C	-1.815342609	 0.8510727232	-1.2476125744	 0.144753
+C	-1.8586960674	-0.7204491121	-1.2508931921	-0.273036
+C	-1.009750935	-1.1312568721	-0.0246139594	-0.10865
+C	-1.7965777081	-0.7732663998	 1.2572017354	-0.227993
+C	-1.7799227888	 0.799492798	 1.2801790589	-0.24064
+C	-0.9757358124	 1.1841584112	 0.01871112	-0.140247
+C	 0.0165925722	 0.0140534978	-0.0334123133	 0.414584
+O	 1.2141126922	-0.0024068186	-0.081374121	-0.326886
+H	-3.6612476428	 1.0742678949	-0.6676515579	 0.280007
+H	-1.2806476165	 1.2154457037	-2.1291518336	 0.102633
+H	-2.8919902203	-1.0757867428	-1.1692911474	 0.100435
+H	-1.4503748657	-1.1231398665	-2.1815378673	 0.11646
+H	-0.5942642301	-2.1370050599	-0.0545064313	 0.082471
+H	-2.812035018	-1.1799097331	 1.2298972201	 0.099933
+H	-1.3059831828	-1.1817728408	 2.1446334157	 0.114355
+H	-2.7821633829	 1.2371206597	 1.2686034566	 0.097573
+H	-1.2857588051	 1.1754669195	 2.1792324047	 0.116759
+H	-0.5392094819	 2.1808425528	 0.023744842	 0.084227
+19
+0 4272	2.6579176	1.7453454	1.7255248	1.1029	74.71	-0.24165	0.00067	0.24232	932.7887	0.158915	-422.560465	-422.553074	-422.55213	-422.591813	29.757
+C	-0.0103089195	 0.1860934711	 0.1623388819	-0.407036
+C	 1.505576831	 0.0343502881	 0.1889070105	 0.15283
+O	 1.837440193	-1.3546390294	 0.3532489733	-0.298749
+C	 2.7394632786	-1.5730855132	 1.4530482886	 0.032073
+C	 2.0085265601	-1.1044367595	 2.7229394593	-0.069501
+O	 1.6923078231	 0.2822416925	 2.582846041	-0.277073
+C	 2.1854320601	 0.8157776375	 1.3380291584	 0.022705
+C	 3.6727193826	 0.5790641885	 1.2331870758	-0.07855
+C	 3.9742028826	-0.7182146733	 1.2948872185	-0.077057
+H	-0.4362123882	-0.0401484311	 1.1426774115	 0.132529
+H	-0.2861835612	 1.2105767367	-0.1103188901	 0.107935
+H	-0.4406270468	-0.4944546467	-0.5770159934	 0.123166
+H	 1.9278961441	 0.3792823514	-0.7668362628	 0.07283
+H	 2.9401926206	-2.6449520208	 1.476550416	 0.081175
+H	 1.0748597385	-1.6695111687	 2.8365581824	 0.103278
+H	 2.6282980069	-1.2533795553	 3.6173267198	 0.097073
+H	 1.9018212281	 1.8689643702	 1.3272722825	 0.079959
+H	 4.3827937266	 1.3891382582	 1.1148811485	 0.101087
+H	 4.9721455199	-1.1391031064	 1.2586411183	 0.101326
+19
+0 4273	2.6710102	1.7218967	1.6952234	2.1572	74.27	-0.23815	0.00514	0.24329	939.9406	0.159235	-422.569216	-422.561897	-422.560953	-422.60051	29.569
+C	-0.0139941232	 0.1460873283	-0.1019892827	-0.410295
+C	 1.4988913032	 0.1274561852	-0.2711931554	 0.168379
+O	 1.9543227656	-1.2369606571	-0.2842157203	-0.287892
+C	 2.7834487902	-1.5011215801	-1.4076988107	 0.164791
+O	 3.9334738201	-0.6649309741	-1.3664785641	-0.267636
+C	 3.5698471887	 0.7138000811	-1.4750031463	-0.067207
+C	 2.0303923559	 0.8312682871	-1.551721981	-0.131493
+C	 1.5931366477	 0.0300837272	-2.7521013637	-0.1004
+C	 2.0087295232	-1.2345432504	-2.6788016635	-0.068112
+H	-0.2921832755	-0.4317513921	 0.7838119468	 0.127346
+H	-0.378612908	 1.1708858763	 0.0268164192	 0.107021
+H	-0.5075341669	-0.3002301866	-0.9692624799	 0.12428
+H	 1.9680767615	 0.6196945149	 0.593882004	 0.077168
+H	 3.1405693787	-2.5243925308	-1.2969854189	 0.087902
+H	 3.9464917369	 1.2399019542	-0.5878405034	 0.101749
+H	 4.044055046	 1.144817692	-2.3659203624	 0.097521
+H	 1.7201825603	 1.877740855	-1.5752147891	 0.074333
+H	 1.0179614247	 0.455768722	-3.5660795175	 0.098281
+H	 1.8339552309	-2.0104615923	-3.4140747911	 0.104268
+19
+0 4274	2.6279771	1.7144144	1.6946264	2.2694	73.85	-0.24301	0.00383	0.24684	930.0943	0.160346	-422.57409	-422.566974	-422.566029	-422.605203	29.384
+O	 0.3675542692	 0.3351196208	 0.457351909	-0.452606
+C	-0.9371339823	 0.3438381565	 1.0077443271	 0.161472
+C	-2.0248583756	-0.1365293365	-0.0022147704	-0.244876
+C	-3.0302927269	 1.0158182313	-0.2580752415	-0.078266
+C	-2.2147540142	 2.2297974959	-0.7578698039	-0.070353
+O	-1.2065383433	 2.5675684858	 0.2009762998	-0.29533
+C	-1.3166816719	 1.7851992051	 1.4215730314	 0.013335
+C	-2.7213668207	 1.8289500357	 1.9546256917	-0.069299
+C	-3.6302114689	 1.4215764454	 1.0671940142	-0.08423
+H	 0.424805337	 1.1384546375	-0.0779658691	 0.283578
+H	-0.9019073204	-0.3070744844	 1.8856768444	 0.084795
+H	-1.5210079255	-0.4251753954	-0.9297341402	 0.104283
+H	-2.5548177504	-1.0150297825	 0.3741223065	 0.101508
+H	-3.7814105037	 0.7360605595	-1.000039109	 0.069673
+H	-1.7173496194	 1.9922065144	-1.7077611045	 0.097706
+H	-2.8655703128	 3.0991288601	-0.9164232254	 0.100169
+H	-0.5704855579	 2.204600808	 2.0974919719	 0.081384
+H	-2.9389671216	 2.1773407382	 2.9573553615	 0.100205
+H	-4.6999289409	 1.4044331447	 1.2441905764	 0.096854
+19
+0 4275	2.6208339	1.6717432	1.6542098	1.2436	73.97	-0.24067	0.00202	0.24269	942.1302	0.160009	-422.573289	-422.566028	-422.565084	-422.604554	29.67
+O	 0.2620591306	 0.0351350494	 0.2793373483	-0.447803
+C	-0.9823163515	 0.4821408607	 0.7905276775	 0.15394
+C	-2.2032125231	-0.2013382147	 0.1133352419	-0.251421
+C	-3.0836214087	 0.8956708163	-0.5198006258	 0.059969
+O	-3.5803124803	 1.7260527435	 0.5510108167	-0.27413
+C	-2.5310075018	 2.3770297912	 1.2622287122	-0.069504
+C	-1.1580245268	 2.0206965799	 0.6465760093	-0.109905
+C	-1.226997108	 2.3432474758	-0.8261470337	-0.105726
+C	-2.2409914782	 1.7367181437	-1.4501809165	-0.070138
+H	 0.2785383978	 0.2566426786	-0.6590506945	 0.274589
+H	-0.9510355607	 0.2339843016	 1.8560142207	 0.08893
+H	-1.8514750387	-0.9122075784	-0.640667011	 0.101248
+H	-2.7999769594	-0.7573716271	 0.8420747635	 0.10828
+H	-3.970988487	 0.4815695297	-1.0004899851	 0.076645
+H	-2.6970208993	 3.4611727742	 1.2266890782	 0.099514
+H	-2.5646998849	 2.0611702752	 2.3154339328	 0.095217
+H	-0.3524825329	 2.5414370987	 1.1674669642	 0.073479
+H	-0.5282331992	 3.0221264154	-1.3025608963	 0.097864
+H	-2.4781831981	 1.8436510563	-2.5027386424	 0.098952
+19
+0 4276	2.7453755	1.448842	1.0418365	1.1674	78.9	-0.23507	0.00537	0.24044	1161.0757	0.156805	-422.52809	-422.519506	-422.518562	-422.561228	32.322
+C	-0.0308574166	 1.5046252881	-0.0103494436	-0.488071
+C	-0.0314455795	 0.0168685044	-0.1434805638	 0.120753
+C	-1.0442823086	-0.8422245035	-0.2079493033	 0.093423
+C	-2.3786100977	-1.218423901	 0.3853097323	-0.155351
+O	-1.7865767205	-2.4922455556	 0.7974760931	-0.309358
+C	-0.6448748187	-2.2737655437	-0.1054721335	 0.11171
+C	 0.805158898	-2.2110418916	 0.3878090619	-0.289514
+C	 1.2766323428	-0.8079715674	-0.1253560188	 0.068397
+O	 2.2990747953	-0.2261899299	 0.6638581201	-0.424788
+H	 0.6643554894	 1.831196392	 0.7691707494	 0.127431
+H	 0.3068997571	 1.9804888476	-0.9404231467	 0.13545
+H	-1.0289890965	 1.8888375892	 0.2168314574	 0.121809
+H	-2.7377973714	-0.6223729263	 1.231462399	 0.116151
+H	-3.2013892002	-1.3817855778	-0.3233446934	 0.107168
+H	-0.767675037	-2.9062938371	-0.9947211011	 0.079391
+H	 0.8048509876	-2.1930876876	 1.4842631261	 0.106971
+H	 1.4477523469	-3.0299864212	 0.0549222829	 0.102981
+H	 1.726129806	-0.8865013279	-1.123592203	 0.097739
+H	 1.9912707936	-0.2124438706	 1.5774379651	 0.277707
+19
+0 4277	2.3081932	1.7061536	1.3917861	3.7345	73.97	-0.23061	-0.03271	0.19790000000000002	1025.5606	0.158051	-422.563994	-422.555834	-422.55489	-422.596816	30.63
+C	-0.521641916	 1.9308644506	-1.3506811251	-0.406773
+C	-0.8788699903	 1.3275669718	 0.0220996467	-0.09036
+C	-2.3239047568	 0.7828494925	 0.1420613399	-0.257032
+C	-2.271585275	-0.744855509	-0.1050047518	-0.078398
+C	-2.1662643519	-1.2011999103	-1.572462137	-0.076736
+O	-0.7377741673	-1.40889348	-1.4523425043	-0.293862
+C	-0.7846670268	-1.1579968346	-0.0215900962	 0.023925
+C	 0.0117503217	 0.1102034153	 0.3096696583	 0.400827
+O	 1.1402912778	 0.1375101111	 0.7267136407	-0.31654
+H	-0.6274892658	 1.196059554	-2.1527443022	 0.141452
+H	-1.168245107	 2.7859915011	-1.5714878706	 0.116114
+H	 0.5163017454	 2.2755811501	-1.3509045787	 0.136357
+H	-0.675042151	 2.0813829661	 0.7880352257	 0.100073
+H	-2.7007175193	 0.9680111348	 1.1530720338	 0.109359
+H	-3.0143935732	 1.2782264998	-0.5484502543	 0.104991
+H	-2.9885298554	-1.2934465011	 0.5055445072	 0.08449
+H	-2.6831042266	-2.1405841046	-1.8040792035	 0.107871
+H	-2.4153559116	-0.4561983071	-2.3372634076	 0.104748
+H	-0.4744210909	-2.0266539605	 0.565879799	 0.089494
+19
+0 4278	2.286151	1.7520923	1.3790555	1.8238	73.99	-0.23909	-0.02631	0.21278	1021.4224	0.157913	-422.571925	-422.563832	-422.562888	-422.604703	30.585
+C	-0.4859762166	 2.0679845731	-1.2473406992	-0.405422
+C	-0.8802628227	 1.3521848884	 0.058836511	-0.087772
+C	-2.3286423846	 0.8186823872	 0.0711288876	-0.258186
+C	-2.2386221367	-0.6572134558	-0.325162302	 0.12264
+O	-2.026276825	-0.8543101873	-1.7491089871	-0.292661
+C	-0.793546417	-1.5639433167	-1.5073513317	-0.084668
+C	-0.8131676584	-1.1581377202	-0.0150684686	-0.186469
+C	 0.001152486	 0.1050035793	 0.2678190169	 0.397719
+O	 1.1617654109	 0.1216436862	 0.5897322172	-0.327295
+H	-0.7194533569	 1.4473432547	-2.1165973684	 0.141148
+H	-1.04234294	 3.0052331061	-1.346061611	 0.118762
+H	 0.5827143426	 2.2998896968	-1.2502852813	 0.132632
+H	-0.6899782198	 2.0319793011	 0.8950749703	 0.100246
+H	-2.7566467365	 0.8844684235	 1.0783339939	 0.104245
+H	-2.9936504369	 1.3636654172	-0.6053188338	 0.11683
+H	-3.0806310702	-1.2594022644	 0.032646972	 0.077785
+H	-0.9062097849	-2.6435606005	-1.668046025	 0.11078
+H	 0.0354972696	-1.1922617004	-2.1191879589	 0.1192
+H	-0.6319207029	-1.9402630085	 0.721369018	 0.100486
+19
+0 4279	2.4473775	1.686902	1.2584778	1.7535	74.59	-0.24234	-0.02877	0.21357	1061.1318	0.156834	-422.56891	-422.5605	-422.559556	-422.60295	31.162
+C	-0.7992021043	 2.2124772554	-1.2590307168	-0.392106
+C	-0.9401959357	 1.2438872551	-0.0881472511	 0.021677
+O	-2.2715462479	 0.7611091409	 0.0543748853	-0.282925
+C	-2.3165683666	-0.6628909857	 0.0151050705	 0.11879
+C	-2.5484326108	-1.3180103011	-1.3811469489	-0.246482
+C	-1.1949511251	-2.0740794737	-1.2365801535	-0.233944
+C	-0.8820709263	-1.2248771658	 0.0319038928	-0.16689
+C	-0.0322580888	 0.0116475992	-0.2277537023	 0.363952
+O	 1.1370001243	 0.0419139444	-0.5114640704	-0.316005
+H	-1.0856784636	 1.7326100567	-2.1995164708	 0.121101
+H	-1.4378997513	 3.0861827562	-1.1084795306	 0.127459
+H	 0.2416875243	 2.5381520347	-1.3368837371	 0.137869
+H	-0.6510820123	 1.7608001171	 0.8411564229	 0.105839
+H	-3.0017786915	-1.0033699619	 0.7950881621	 0.083437
+H	-3.4404039595	-1.9403411931	-1.477481137	 0.107105
+H	-2.5565713613	-0.5702183441	-2.1775478043	 0.114334
+H	-1.3173844458	-3.132520596	-0.9993752603	 0.113767
+H	-0.477454718	-1.983568217	-2.0547967438	 0.11946
+H	-0.5115415698	-1.7544910911	 0.9126444734	 0.103561
+19
+0 4280	2.7855921	1.5091889	1.1476337	3.0652	74.33	-0.2489	-0.02917	0.21973	1095.535	0.158198	-422.578824	-422.570813	-422.569869	-422.611533	30.856
+O	-0.6247729649	 2.3467985545	 0.6980060524	-0.443397
+C	-0.9908407491	 1.2000139377	-0.016237494	 0.05423
+C	-2.4071298489	 0.6722697579	 0.2628853891	-0.256202
+C	-2.3498225528	-0.8204055158	-0.1267001743	-0.017406
+C	-2.2810810017	-1.1476305376	-1.6497319286	-0.226576
+C	-0.8358223232	-1.6927517722	-1.4756368376	-0.234039
+C	-0.8566526818	-1.2778093048	 0.0347194707	-0.128258
+C	-0.1096905378	-0.0013347866	 0.3482829884	 0.376506
+O	 0.9614222104	 0.1264309759	 0.892966497	-0.34431
+H	 0.2569404049	 2.1555007513	 1.0546468196	 0.289356
+H	-0.8734559134	 1.3693814008	-1.1030958162	 0.090659
+H	-2.6028692316	 0.7813419359	 1.3358803493	 0.11449
+H	-3.1839154735	 1.2207166273	-0.2771550071	 0.108615
+H	-3.0863638209	-1.4132688678	 0.417093717	 0.078533
+H	-3.0089755001	-1.8850552896	-1.9944852284	 0.106579
+H	-2.3614977796	-0.2701208302	-2.2972304305	 0.106067
+H	-0.7537013835	-2.7738482087	-1.6012600274	 0.117285
+H	-0.0606176743	-1.2218390796	-2.0852456813	 0.112791
+H	-0.6039479882	-2.0640765283	 0.7464692617	 0.095075
+19
+0 4281	3.3964494	1.3917592	1.1437008	1.3679	76.58	-0.24393	0.00335	0.24728	1109.9856	0.157998	-422.540583	-422.532658	-422.531714	-422.573083	30.421
+C	 0.0119194999	 0.0225202992	 0.0611146838	-0.394682
+C	 1.5379279571	 0.0373381191	-0.0075663631	 0.084293
+O	 1.9973514035	-0.5949401467	 1.1861214029	-0.277368
+C	 3.3168313099	-1.0556132824	 1.1953964136	 0.083157
+C	 4.5252430673	-0.1072236366	 0.9903740819	-0.124563
+O	 5.1051772056	-1.0284521181	 0.041396523	-0.291982
+C	 3.8587195511	-1.786321011	-0.0512183908	 0.031432
+C	 3.0905962486	-1.4531849034	-1.2904495141	-0.088475
+C	 2.0607539127	-0.6100004728	-1.2628768327	-0.064845
+H	-0.3239087757	 0.4920238929	 0.9890911981	 0.127524
+H	-0.415634105	 0.5714903845	-0.78315923	 0.11483
+H	-0.3587288805	-1.0061368771	 0.0371965838	 0.12812
+H	 1.8704929064	 1.0912813349	-0.0043173263	 0.085537
+H	 3.4159075664	-1.6469608682	 2.1075630868	 0.098416
+H	 4.2732243956	 0.8582762325	 0.5319001782	 0.102601
+H	 5.1792155669	 0.0621225677	 1.8519738582	 0.106497
+H	 4.0579746868	-2.859769938	 0.03867984	 0.081031
+H	 3.4348327192	-1.8833169148	-2.2271693989	 0.099538
+H	 1.5461710042	-0.3327104318	-2.1800859643	 0.098939
+19
+0 4282	3.2340895	1.3406913	1.1045095	1.0072	75.78	-0.24056	0.00338	0.24394	1122.0489	0.158625	-422.549874	-422.541897	-422.540953	-422.582542	30.644
+O	 0.2770105725	-0.0567520536	 0.8655492825	-0.436563
+C	-1.0468270723	 0.4502893365	 1.0179104065	 0.07642
+C	-1.8373147196	-0.0279961053	-0.2033121035	-0.233052
+C	-3.1842356	 0.6661416028	-0.3597100864	-0.08
+C	-4.2601336035	 0.5665702042	 0.7453022749	-0.085928
+O	-4.3730294395	 2.0017099589	 0.8289301588	-0.294891
+C	-3.2301575869	 2.1856779124	-0.0626317822	 0.084128
+C	-2.0326349512	 2.7325358784	 0.6532541098	-0.06821
+C	-1.0641747949	 1.9550772395	 1.1364863922	-0.085143
+H	 0.7694615908	 0.1436153776	 1.6679112118	 0.281314
+H	-1.4977449724	 0.0249600292	 1.9314146039	 0.080155
+H	-1.2172012572	 0.1843181408	-1.0819689069	 0.11674
+H	-1.9604617411	-1.1155737312	-0.1583573838	 0.105104
+H	-3.6046762418	 0.4372003169	-1.3414204887	 0.085354
+H	-5.208281824	 0.0964523795	 0.4599629942	 0.101268
+H	-3.9217057785	 0.1247030748	 1.6930074302	 0.096546
+H	-3.5111165571	 2.8317852357	-0.9027022002	 0.076895
+H	-1.9955491847	 3.8089470484	 0.8014977046	 0.094177
+H	-0.2280519287	 2.3973409547	 1.6764310023	 0.085688
+19
+0 4283	3.2941754	1.2958042	1.0306228	1.8009	76.18	-0.2416	0.00563	0.24723	1162.6596	0.158755	-422.550436	-422.54254	-422.541596	-422.582938	30.57
+O	-0.1737554725	-0.1568299638	 0.1729333177	-0.432457
+C	-1.1998612346	 0.5629433988	 0.8484599498	 0.081428
+C	-1.2198849454	 2.0432803635	 0.4326192525	-0.247774
+C	-2.2602243814	 2.8437360314	 1.2182180355	 0.104556
+O	-1.8569577157	 4.2190924215	 1.439045598	-0.29096
+C	-1.651225919	 3.9864012554	 2.847505772	-0.089041
+C	-2.2685616659	 2.5670094102	 2.7411965898	-0.094846
+C	-1.5131882048	 1.3625564563	 3.2016869884	-0.08393
+C	-1.0664588556	 0.4392787038	 2.3495983237	-0.098191
+H	 0.6684731506	 0.2411951392	 0.4208737148	 0.276583
+H	-2.12575557	 0.0718520316	 0.5187212661	 0.101313
+H	-0.233111834	 2.4682071563	 0.6541309634	 0.098536
+H	-1.3798060954	 2.1311022789	-0.6459059669	 0.108948
+H	-3.2413927584	 2.7990839728	 0.7313908259	 0.079766
+H	-0.5870094726	 4.004893271	 3.1181061021	 0.097177
+H	-2.1919277279	 4.7107333599	 3.4665926273	 0.104475
+H	-3.2840738606	 2.553838879	 3.1504209598	 0.09349
+H	-1.3779664481	 1.232511439	 4.2735149746	 0.09313
+H	-0.5687978687	-0.4602917547	 2.7028436156	 0.097796
+19
+0 4284	3.204512	1.6238925	1.4126635	1.6484	73.63	-0.23492	0.08391	0.31883	987.4109	0.159069	-422.552863	-422.545651	-422.544707	-422.584353	28.821
+C	 0.0187817761	-0.1070829877	-0.2661549072	-0.407
+C	 1.4600521262	 0.2067176766	 0.1087473947	 0.132357
+O	 1.5536586983	 1.6017733588	 0.4462336809	-0.282061
+C	 2.4346528242	 1.768952537	 1.5493415889	 0.061314
+C	 3.8985434357	 1.7730303491	 1.0887031071	-0.090386
+O	 4.223301139	 0.3940845908	 0.8686695021	-0.26194
+C	 3.4099727187	-0.373925194	 1.7240334546	 0.079672
+C	 1.9560293324	-0.5517638608	 1.3377849924	-0.116774
+C	 2.3605792266	 0.472498208	 2.3745246322	-0.135182
+H	-0.6438069753	 0.0377725718	 0.592717552	 0.118857
+H	-0.3118587179	 0.5554833516	-1.0707170432	 0.125955
+H	-0.073955512	-1.1412164778	-0.6132334515	 0.11289
+H	 2.1210883413	 0.0088063599	-0.7467304626	 0.086405
+H	 2.1470634111	 2.6768347367	 2.0840531095	 0.08565
+H	 4.0416888032	 2.3163735274	 0.1518197174	 0.117951
+H	 4.5521553926	 2.1989834996	 1.8657316363	 0.090373
+H	 3.9398524164	-1.169777034	 2.2362733989	 0.09824
+H	 1.4517847009	-1.4681066161	 1.624011401	 0.090154
+H	 2.0832840824	 0.4536024831	 3.4197427167	 0.093526
+19
+0 4285	3.240565	1.6174099	1.3889088	2.6764	73.25	-0.24945	0.07919	0.32864	992.735	0.159399	-422.565027	-422.55779	-422.556846	-422.596698	28.671
+C	 0.0312350248	-0.1128884041	 0.2547698923	-0.406367
+C	 1.4952619581	 0.0441754174	-0.1330288651	 0.12452
+O	 1.8127032763	 1.4446621271	-0.1838144104	-0.272605
+C	 2.6364240712	 1.7088206665	-1.2997618903	 0.182627
+O	 4.0047309471	 1.5235310213	-0.9954707917	-0.256044
+C	 4.3332957003	 0.1428801016	-1.1649326944	-0.10391
+C	 3.240038275	-0.451179552	-2.0446140728	-0.101085
+C	 1.8120613118	-0.4960901975	-1.5262498474	-0.083222
+C	 2.2805543443	 0.6599032933	-2.3624428294	-0.106325
+H	-0.1659306102	 0.4106461699	 1.1939867869	 0.128242
+H	-0.6176404872	 0.3102051067	-0.5182519734	 0.120603
+H	-0.2224892952	-1.1695281674	 0.3885658526	 0.112082
+H	 2.1272495982	-0.4309988191	 0.6320907145	 0.07913
+H	 2.5010601747	 2.756301055	-1.5705605401	 0.094112
+H	 5.312485841	 0.0798847206	-1.6519349731	 0.106711
+H	 4.4077769497	-0.3523290219	-0.1866869609	 0.102866
+H	 3.5219870931	-1.1809208373	-2.7946850857	 0.093912
+H	 1.1557305665	-1.2556595826	-1.9360665852	 0.090708
+H	 1.9181262305	 0.9262683627	-3.3457728564	 0.094043
+19
+0 4286	2.4953668	1.8761931	1.8070672	2.8546	72.24	-0.2447	0.07485	0.31955	898.3898	0.160666	-422.560622	-422.553847	-422.552903	-422.591471	28.27
+O	 0.2723122074	 0.3675061551	-0.0214044878	-0.447349
+C	 0.0192542441	 0.8744022081	 1.2771616236	 0.121399
+C	-1.149527126	 0.172074193	 2.02690687	-0.237867
+C	-2.3721519635	 1.1074127682	 1.9092696078	-0.068413
+C	-3.0395499165	 1.028398525	 0.5274696736	-0.086317
+O	-2.1655847565	 1.7542854401	-0.3561295458	-0.276775
+C	-1.5396988555	 2.7641581093	 0.4181455957	 0.082715
+C	-0.3695616862	 2.3583744288	 1.2888725705	-0.113615
+C	-1.762093112	 2.5296495747	 1.8766827134	-0.117081
+H	-0.4746569578	 0.6481807305	-0.5680621932	 0.290259
+H	 0.9542971877	 0.7260733652	 1.8252658673	 0.08202
+H	-1.3215963992	-0.8315632157	 1.6268631586	 0.103105
+H	-0.8849231658	 0.0687830345	 3.0847870267	 0.097324
+H	-3.0965471882	 0.9650324392	 2.7138590021	 0.076219
+H	-3.1386837255	 0.0119369433	 0.1365128294	 0.113812
+H	-4.0298594877	 1.5054082325	 0.5363945496	 0.09992
+H	-1.5634553599	 3.7441019377	-0.0456530308	 0.10209
+H	 0.3997129103	 3.1050563597	 1.4537185032	 0.087686
+H	-2.0420334092	 3.3009333407	 2.5824734363	 0.090867
+19
+0 4287	3.1205758	1.5603329	1.3518999	0.4654	73.14	-0.24075	0.0741	0.31484999999999996	998.0307	0.159618	-422.561562	-422.554279	-422.553334	-422.59321	29.143
+O	 0.5948569083	 0.3014057627	 0.6919136618	-0.446785
+C	-0.8004363338	 0.5098186675	 0.8811160289	 0.10552
+C	-1.2072840709	 0.6263819722	 2.3725773876	-0.249882
+C	-2.2319417562	 1.7743486182	 2.4373101395	 0.073484
+O	-3.5391452782	 1.3128192026	 2.0817684308	-0.268491
+C	-3.6900682598	 1.370529137	 0.6646262017	-0.097718
+C	-2.592848297	 2.2884217533	 0.1463021574	-0.088132
+C	-1.1409145712	 1.8749629796	 0.2902755116	-0.040756
+C	-1.7949946375	 2.7504368659	 1.3328830861	-0.093871
+H	 0.8139039662	-0.5641600776	 1.050719953	 0.28105
+H	-1.3624446252	-0.2929592823	 0.3791699911	 0.068828
+H	-1.6050717078	-0.2963780769	 2.8043194143	 0.097397
+H	-0.3053501966	 0.9156448984	 2.9246691721	 0.103981
+H	-2.3073606058	 2.219543069	 3.4317109779	 0.082366
+H	-3.6349725749	 0.359413152	 0.2328955687	 0.093732
+H	-4.6837121897	 1.7745750833	 0.4384778339	 0.103237
+H	-2.8360650156	 2.9722780574	-0.6587119774	 0.092328
+H	-0.4327247405	 2.2744682251	-0.4262802741	 0.095264
+H	-1.537268694	 3.7817879825	 1.5339083351	 0.088449
+19
+0 4288	3.0911694	1.4334783	1.2764058	2.9025	77.2	-0.24817	0.00308	0.25125000000000003	1070.8438	0.158119	-422.563318	-422.555339	-422.554395	-422.596359	30.163
+C	-0.3317399849	 1.2417622233	 0.8032050781	-0.3827
+C	-0.0512353935	 0.0016204259	-0.0366337031	 0.143962
+C	-1.3323208817	-0.8569417921	-0.3148110739	-0.361543
+C	-1.2047763975	-1.8241115133	 0.8074032144	 0.241359
+C	-1.8638604153	-2.1599181591	 1.908798422	-0.23581
+C	-0.8800743912	-2.6975788824	 2.9187656399	-0.110635
+O	 0.4130761361	-2.4819847111	 2.3410110691	-0.271322
+C	 0.2616515831	-2.0891738938	 0.9978524012	 0.189225
+O	 0.8825216742	-0.8582591437	 0.6588913001	-0.28972
+H	 0.6101493987	 1.7081219255	 1.1040654062	 0.130556
+H	-0.9148192647	 1.9736517398	 0.2334865336	 0.108359
+H	-0.8871254032	 0.9783247765	 1.7089298169	 0.119522
+H	 0.4259456213	 0.2958023476	-0.9783477393	 0.081054
+H	-2.2454219321	-0.2592374286	-0.2937534092	 0.116355
+H	-1.2579640273	-1.3443970776	-1.293581631	 0.115689
+H	-2.9093635349	-1.9905856912	 2.1340610308	 0.108521
+H	-0.9535600193	-2.1586089322	 3.8738711605	 0.116343
+H	-1.0085988172	-3.7686067563	 3.1379232748	 0.111003
+H	 0.7029940497	-2.8726384772	 0.360513699	 0.069782
+19
+0 4289	3.8359083	1.1958475	1.0054591	2.6307	77.91	-0.22713	0.01456	0.24169	1193.0029	0.158396	-422.566274	-422.55829	-422.557346	-422.599116	30.623
+O	-0.1042738277	 1.4423767634	 0.150791699	-0.427734
+C	 0.0033926956	 0.0346943393	 0.0424657203	 0.126757
+C	-1.4115347591	-0.5839838443	 0.0888172258	-0.253425
+C	-1.1414894383	-2.0044876093	 0.6063901279	 0.073699
+O	-2.1967218852	-2.6806757842	 1.2685865826	-0.284197
+C	-1.7226851597	-3.126074692	 2.545730887	-0.111391
+C	-0.4306206667	-2.3749310645	 2.7779906073	-0.270479
+C	-0.0936704696	-1.7480618137	 1.6584138119	 0.335198
+C	 0.8088805055	-0.6349346282	 1.2187988669	-0.372603
+H	 0.7592874677	 1.8261810014	-0.0305660158	 0.282951
+H	 0.483250022	-0.2326170977	-0.9110885781	 0.070232
+H	-2.0070049803	-0.040319507	 0.8297800036	 0.119504
+H	-1.9211512827	-0.5347909358	-0.8758670069	 0.101609
+H	-0.7610337687	-2.6324080017	-0.2199627003	 0.07115
+H	-2.4810081173	-2.8962285436	 3.3069979399	 0.109796
+H	-1.5879388856	-4.2212147205	 2.5417927414	 0.09922
+H	 0.0637326534	-2.3343396336	 3.7405425214	 0.100402
+H	 1.7908952664	-0.9830429173	 0.8779725158	 0.107946
+H	 0.9755964604	 0.0968890693	 2.0150432801	 0.121366
+19
+0 4290	3.2106649	1.3888764	1.0720738	0.3896	77.32	-0.23926	0.01887	0.25813	1132.8261	0.158133	-422.550045	-422.542094	-422.54115	-422.582372	30.932
+O	 0.3587465532	 0.410220353	 0.6284169068	-0.43405
+C	-0.9211190755	 0.8294648067	 0.2191165986	 0.118162
+C	-2.1016815751	-0.1855235688	 0.2856113734	-0.28997
+C	-2.5089520581	 0.2554844405	-1.1350295024	 0.094999
+O	-3.4984404491	 1.2656441792	-1.0391439629	-0.268975
+C	-3.5364571056	 2.1290143551	-2.1624266635	-0.122737
+C	-2.1897556294	 2.7114400261	-2.5078366635	-0.078433
+C	-1.058077948	 2.1472143651	-2.0900255508	-0.090078
+C	-1.0946565848	 0.8647540486	-1.327243197	-0.051763
+H	 0.4032923615	 0.4608960545	 1.5884446723	 0.283505
+H	-1.1948422182	 1.7926526009	 0.6670084135	 0.077877
+H	-1.7188354639	-1.2094477537	 0.2953279333	 0.105872
+H	-2.8587189637	-0.0574074686	 1.0617727577	 0.105062
+H	-2.8188739905	-0.5206199553	-1.8481191364	 0.062022
+H	-3.9648418892	 1.6092310277	-3.0393452301	 0.097153
+H	-4.2387211343	 2.9277422395	-1.8980665993	 0.115027
+H	-2.1866819061	 3.6181416346	-3.1065965946	 0.092429
+H	-0.0923627108	 2.5941339934	-2.3114963809	 0.094643
+H	-0.4092250224	 0.1228277717	-1.7522478243	 0.089256
+19
+0 4291	3.7863449	1.2459073	1.0613665	1.8597	77.88	-0.23889	0.00328	0.24217	1170.4567	0.158032	-422.554595	-422.546602	-422.545658	-422.587253	30.286
+C	-0.1873784788	 1.5265547769	 0.1100856619	-0.390222
+C	 0.0697676685	 0.0258620604	 0.0272794005	 0.105159
+O	-1.1919478883	-0.6673380956	-0.07949592	-0.292074
+C	-1.1422328184	-1.8294098885	 0.7214401309	 0.044528
+C	-2.246613835	-2.0545068993	 1.7645094902	-0.100212
+O	-1.596171147	-2.8333682266	 2.7779759517	-0.274792
+C	-0.2000596043	-2.482199154	 2.8528081683	-0.165285
+C	 0.0262273275	-1.6290661198	 1.6483432743	 0.286456
+C	 0.718396716	-0.5656532271	 1.2661622767	-0.288347
+H	 0.7579588243	 2.0788334623	 0.119821211	 0.113359
+H	-0.7672031843	 1.8537531101	-0.7573933973	 0.129541
+H	-0.7489711026	 1.7701893895	 1.0164997712	 0.121249
+H	 0.6654395657	-0.1828641073	-0.8785309534	 0.081492
+H	-1.0385787936	-2.7306867845	 0.0940410053	 0.082094
+H	-2.5920351345	-1.0829023014	 2.148634406	 0.096582
+H	-3.1053752485	-2.6330900525	 1.4164253357	 0.110676
+H	 0.0149565145	-1.9480308781	 3.7880545603	 0.114494
+H	 0.381183431	-3.4130879748	 2.8535120962	 0.118101
+H	 1.5684343376	-0.1082902698	 1.7571529107	 0.107201
+19
+0 4292	3.4048507	1.3428479	1.1606788	2.8867	77.87	-0.24932	0.00152	0.25084	1124.2142	0.158237	-422.563699	-422.555732	-422.554787	-422.596478	30.194
+C	-0.3691472332	 1.482515563	 0.3370020633	-0.388942
+C	 0.0413955288	 0.0358129911	 0.079808196	 0.102081
+O	-1.1338905869	-0.772288129	-0.1261798218	-0.285368
+C	-1.0038737492	-1.9785864914	 0.5916141069	 0.184597
+O	-2.1011444573	-2.3134560802	 1.4271800961	-0.273186
+C	-1.6522251392	-2.4453434419	 2.785730148	-0.063296
+C	-0.1058099856	-2.6112974948	 2.7373642569	-0.338569
+C	 0.1433622551	-1.7597085226	 1.541007484	 0.225754
+C	 0.7448308997	-0.6134696643	 1.2528456721	-0.244129
+H	 0.5130939465	 2.1259984621	 0.4188788495	 0.111577
+H	-0.984537311	 1.8456621705	-0.4906559594	 0.131307
+H	-0.9503011646	 1.5573539535	 1.260515757	 0.123243
+H	 0.6503971429	-0.003881808	-0.8381785982	 0.086131
+H	-0.88979885	-2.8011618694	-0.1320481077	 0.071616
+H	-1.9136613571	-1.5460164923	 3.3599107658	 0.104309
+H	-2.1655522151	-3.3033716678	 3.229101252	 0.110218
+H	 0.3849366399	-2.2676283208	 3.6497271921	 0.116504
+H	 0.1602018718	-3.6611183958	 2.5672697239	 0.118872
+H	 1.5338506747	-0.1206543919	 1.8074845435	 0.107278
+19
+0 4293	3.9325677	1.1492393	0.9685882	0.3169	77.44	-0.24474	0.00381	0.24855000000000002	1216.4943	0.158919	-422.566691	-422.558823	-422.557878	-422.599158	30.384
+O	 0.1400728272	 1.422061779	-0.1224491258	-0.431369
+C	 0.0765507394	 0.0090426875	-0.0204608945	 0.131044
+C	-1.3744576484	-0.5640082177	 0.0189883294	-0.285971
+C	-1.2631154259	-1.8316745045	 0.8830972212	-0.071893
+C	-2.2645705381	-2.1820204703	 1.9893650822	-0.094892
+O	-1.4883789307	-2.8847559794	 2.9665952064	-0.268115
+C	-0.1442090924	-2.3815201639	 2.9713850205	-0.175047
+C	-0.0393803605	-1.5542311179	 1.7272989182	 0.33341
+C	 0.6940296083	-0.5531868158	 1.2518921274	-0.320017
+H	-0.2662105074	 1.7860864183	 0.6725095303	 0.272911
+H	 0.6104527937	-0.3433180591	-0.9129646107	 0.096262
+H	-2.0113963845	 0.1756555373	 0.5214268141	 0.093741
+H	-1.7897274057	-0.7349177931	-0.9768019962	 0.104783
+H	-1.10282196	-2.721314393	 0.2581520505	 0.08996
+H	-2.7014287532	-1.2646803984	 2.4181443387	 0.085695
+H	-3.0773877018	-2.8468684059	 1.6859774822	 0.109432
+H	 0.0451521367	-1.7862783245	 3.8764083039	 0.11132
+H	 0.5380406794	-3.2410621413	 2.9877979425	 0.11881
+H	 1.6048421738	-0.1426243073	 1.6733060198	 0.099933
+19
+0 4294	3.839758	1.1887407	0.9948077	2.0306	77.69	-0.24638	0.00716	0.25354	1203.5228	0.158797	-422.569362	-422.561424	-422.56048	-422.602102	30.473
+O	 0.1069156791	 1.4207818357	-0.096227038	-0.431307
+C	 0.0576265307	 0.005115093	-0.0258629497	 0.122719
+C	-1.3881162534	-0.5803787331	 0.0507229901	-0.291359
+C	-1.2264072839	-1.8489730353	 0.8932035474	 0.066873
+O	-2.226264303	-2.0868254575	 1.8810643644	-0.27042
+C	-1.588175725	-2.8320710323	 2.9207134288	-0.069064
+C	-0.0823277715	-2.4026660816	 2.9575330449	-0.379008
+C	 0.0130303731	-1.5834841468	 1.7062621501	 0.358891
+C	 0.723111316	-0.5727040409	 1.2149641303	-0.308179
+H	-0.2896769142	 1.7620425386	 0.7135686384	 0.274031
+H	 0.5604953219	-0.320698057	-0.9453375402	 0.095854
+H	-2.0168692357	 0.122072089	 0.609028767	 0.108542
+H	-1.840597795	-0.7404795486	-0.9301257095	 0.102921
+H	-1.1174255405	-2.7450954681	 0.2560730623	 0.069142
+H	-2.1173435957	-2.6191365799	 3.8528410909	 0.112683
+H	-1.6689804719	-3.9107050512	 2.7193620832	 0.094941
+H	 0.1639404518	-1.8200488109	 3.8494184837	 0.124052
+H	 0.5757969471	-3.2781471646	 2.9479829555	 0.120138
+H	 1.63571364	-0.1471592287	 1.6177473404	 0.098548
+19
+0 4295	3.2742933	1.3658998	1.0793627	1.8597	78.04	-0.2399	0.01094	0.25084	1145.7254	0.157794	-422.530229	-422.522211	-422.521267	-422.562642	30.691
+C	-0.095740073	 1.5324604932	 0.1771887827	-0.399599
+C	 0.0287374652	 0.0323784937	 0.0103819858	 0.079339
+O	-1.1799606771	-0.7009449563	 0.4105175578	-0.329876
+C	-0.390397904	-1.6771923015	 1.1417552916	 0.08768
+C	-0.6638056075	-1.9283885998	 2.6221731482	-0.124356
+O	 0.5545655492	-2.4444048829	 3.1543130747	-0.256673
+C	 1.6527401404	-1.5407002674	 3.1696792878	-0.09265
+C	 1.7131187314	-0.6179861158	 1.9753047929	-0.248003
+C	 0.7981463019	-0.772429161	 1.0322148775	 0.208772
+H	 0.8440802676	 2.0227289157	-0.0986593319	 0.120241
+H	-0.8850442902	 1.9210560984	-0.4736880917	 0.130767
+H	-0.3363975868	 1.7868289965	 1.2125261422	 0.123282
+H	 0.277492315	-0.2183602559	-1.0319120497	 0.083647
+H	-0.3372002957	-2.6266590609	 0.5928027511	 0.086242
+H	-0.9673745055	-0.98930846	 3.1076164703	 0.097069
+H	-1.4206352212	-2.6928906252	 2.8146888988	 0.110568
+H	 1.6145454079	-0.9152366919	 4.0796456943	 0.102874
+H	 2.5475346631	-2.1691290072	 3.254276125	 0.122997
+H	 2.4242297195	 0.2028438784	 2.0014900924	 0.097679
+19
+0 4296	3.2764291	1.3243379	1.0253606	2.0685	78.89	-0.23372	0.01736	0.25108	1165.1488	0.158274	-422.540052	-422.532056	-422.531112	-422.57239	30.994
+O	-0.1477309443	 1.4553346574	 0.0563221607	-0.428117
+C	 0.0221429131	 0.0624436269	-0.0005678722	 0.04744
+C	 0.2476923447	-0.6476558867	-1.3898535008	-0.300461
+C	-0.7699499482	-1.7445134699	-0.9431715442	-0.06358
+C	-1.9680254093	-2.1668878853	-1.78705295	-0.105977
+O	-3.0211396382	-2.5540410696	-0.9094124943	-0.254892
+C	-3.5490276589	-1.5006864666	-0.1167040259	-0.099421
+C	-2.5085599127	-0.5462530766	 0.4161611958	-0.253444
+C	-1.2395866137	-0.7522341953	 0.0991299728	 0.299617
+H	 0.7186958387	 1.8657172707	 0.1362043287	 0.285471
+H	 0.7830475094	-0.2773007116	 0.7194593187	 0.07621
+H	-0.1593632138	-0.0218059476	-2.1886382929	 0.11281
+H	 1.2634419834	-0.9617873602	-1.6417763378	 0.094696
+H	-0.2658784908	-2.6217003623	-0.5238528987	 0.081887
+H	-2.2828951205	-1.3320492747	-2.4339866706	 0.086498
+H	-1.7733794912	-3.0386687766	-2.4182557959	 0.104128
+H	-4.2906885023	-0.9219406604	-0.6976420855	 0.097588
+H	-4.0997220269	-1.9916359067	 0.6951801802	 0.118102
+H	-2.8482928085	 0.3323574951	 0.9563232119	 0.101446
+19
+0 4297	3.0281379	1.4029915	1.0893649	1.3941	77.85	-0.24352	0.00604	0.24955999999999998	1130.6473	0.158343	-422.541311	-422.533376	-422.532432	-422.573598	31.041
+O	-0.1655710058	 1.4535445523	-0.1587841581	-0.423884
+C	-0.0129499746	 0.0684622418	-0.0107551855	 0.077188
+C	 0.2001928299	-0.8522800591	-1.2703657831	-0.313638
+C	-0.7033010752	-1.9219316589	-0.5647543363	 0.092844
+O	-1.6476720637	-2.7076021585	-1.2582112631	-0.269731
+C	-2.9645940942	-2.1734392309	-1.325968892	-0.070456
+C	-3.4749814238	-1.6440823547	 0.0291438847	-0.254725
+C	-2.5181389038	-0.575469712	 0.5099271841	-0.24247
+C	-1.2291404706	-0.7893509018	 0.274974161	 0.207673
+H	-0.9415936118	 1.5998775972	-0.7117533011	 0.275823
+H	 0.7982751322	-0.068068667	 0.7114943594	 0.10319
+H	-0.3057133082	-0.4232333476	-2.1399220115	 0.10613
+H	 1.2211360725	-1.1363554957	-1.5332863346	 0.105153
+H	-0.0753320897	-2.6240916213	-0.0039193535	 0.093517
+H	-3.017844541	-1.3582538154	-2.0650027478	 0.085611
+H	-3.5868661566	-2.9967182962	-1.6883616858	 0.108019
+H	-4.4839794284	-1.2390663638	-0.1026739249	 0.104666
+H	-3.5561140422	-2.4757938831	 0.7403981883	 0.119478
+H	-2.889520325	 0.362929395	 0.91236475	 0.09561
+19
+0 4298	2.9437698	1.2409792	0.9088178	3.1204	79.41	-0.24135	-0.04863	0.19272	1274.8357	0.156725	-422.603781	-422.594798	-422.593854	-422.637289	33.589
+C	 1.2649454964	 0.8138661083	-0.0678614262	-0.47645
+C	-0.0981351217	 0.1877847021	 0.0281755107	 0.222445
+C	-0.3035000443	-1.1250721874	 0.2241793733	-0.153013
+C	-1.6561104843	-1.7780500289	 0.2949050242	-0.27783
+C	-2.7333636116	-0.9343531033	-0.3964566755	 0.115043
+O	-4.0305043772	-1.4853579296	-0.2544548788	-0.431209
+C	-2.6471728835	 0.5134004026	 0.0931215978	-0.337313
+C	-1.2578352477	 1.1131509057	-0.1036407411	 0.313878
+O	-1.1012562719	 2.2961434345	-0.3320214018	-0.31969
+H	 1.3959375135	 1.5812537594	 0.7020976614	 0.13904
+H	 2.0546199461	 0.066152814	 0.0395236122	 0.113382
+H	 1.3882361866	 1.3245495479	-1.0282219396	 0.142767
+H	 0.5587653596	-1.7798547819	 0.3371801088	 0.101002
+H	-1.6220896765	-2.7793148336	-0.1479896342	 0.120432
+H	-1.9385190117	-1.9268899691	 1.3505494447	 0.106235
+H	-2.5434410009	-0.9524196736	-1.4765115782	 0.104347
+H	-4.2717831526	-1.4429978955	 0.6777633805	 0.277061
+H	-3.3810348319	 1.153200724	-0.4019944394	 0.130625
+H	-2.8645241564	 0.5377036543	 1.1730786312	 0.109247
+19
+0 4299	2.9604051	1.3402166	0.9621523	4.4129	79.27	-0.25989	-0.03724	0.22265000000000001	1244.1278	0.156632	-422.615374	-422.606433	-422.605489	-422.648832	33.128
+C	-3.8914543896	-1.6059179487	-0.0389832451	-0.401462
+C	-2.5464407307	-0.9375796676	-0.2673020711	 0.131553
+C	-2.5341297455	 0.5591212782	 0.025442812	-0.273909
+C	-1.1221442379	 1.067154838	 0.0033621272	-0.159408
+C	-0.0845747307	 0.2630776846	 0.2622608313	 0.156706
+C	 1.3525494103	 0.69809286	 0.2625663991	-0.473369
+C	-0.3343199935	-1.1449598078	 0.689815707	 0.379365
+O	 0.5198801678	-1.8387249721	 1.1817433089	-0.334095
+O	-1.596640269	-1.6303100676	 0.5706289785	-0.24717
+H	-4.2121816776	-1.4792018352	 0.9993337227	 0.129802
+H	-4.6488693982	-1.1665069726	-0.6951794265	 0.11909
+H	-3.8255728901	-2.6759531181	-0.2503177488	 0.135867
+H	-2.2307361697	-1.0868654268	-1.3099578525	 0.089676
+H	-3.1447014498	 1.0775512208	-0.7224297543	 0.117071
+H	-3.0009204153	 0.7618823667	 1.0008733803	 0.124633
+H	-0.9540936223	 2.1194822994	-0.2138159862	 0.102744
+H	 1.8052441579	 0.5321265536	 1.2445494814	 0.149266
+H	 1.939753186	 0.1083815025	-0.4493777449	 0.139267
+H	 1.4420805378	 1.7550315325	-0.000499839	 0.114373
+19
+0 4300	2.3389934	1.7750213	1.1231362	2.3198	77.59	-0.24281	0.00581	0.24862	1105.2338	0.156554	-422.557371	-422.548745	-422.5478	-422.590346	32.94
+C	 1.2759294727	 0.6056812746	-0.8013229935	-0.512561
+C	-0.0440179526	 0.1783909323	-0.2445649086	 0.274659
+C	-1.0198110443	 0.9435696562	 0.2591887598	-0.177954
+C	-2.1818052832	 0.1532850186	 0.8085759189	-0.302633
+C	-1.9251645281	-1.2755598024	 0.2580211109	 0.069273
+O	-2.2519269558	-2.3399168278	 1.1150304937	-0.444649
+C	-0.4321748165	-1.2535179513	-0.1076495404	 0.291231
+C	 0.2482458476	-2.422267566	-0.6667659222	-0.246054
+O	 0.4081980535	-2.1001621036	 0.7242887883	-0.289879
+H	 2.0956656625	 0.1112744385	-0.2665960087	 0.142008
+H	 1.3745378061	 0.3340690004	-1.8595926112	 0.127486
+H	 1.4137321943	 1.6864228321	-0.7150602384	 0.12703
+H	-0.9800113668	 2.0275923006	 0.3008836236	 0.095236
+H	-2.1757955051	 0.139441769	 1.906214305	 0.118956
+H	-3.1562710359	 0.5486532827	 0.5030705444	 0.107015
+H	-2.5070598667	-1.4029489138	-0.6638951888	 0.091508
+H	-1.4220136782	-2.589901856	 1.5479725439	 0.290602
+H	-0.3331903761	-3.3217319099	-0.8663297295	 0.122695
+H	 1.1465112728	-2.3046054544	-1.2705865674	 0.116033
+19
+0 4301	2.0513068	1.4443841	1.0778851	3.0409	78.54	-0.23892	-0.03031	0.20861	1198.3406	0.155371	-422.586026	-422.576609	-422.575665	-422.620855	33.946
+C	 1.2261971161	 0.9908636397	 0.4561954625	-0.497491
+C	-0.0622696685	 0.2470769092	 0.3011845091	 0.294618
+C	-0.268589722	-1.0732785537	 0.3532108398	-0.176893
+C	-1.7124494676	-1.4502987832	 0.1350010061	-0.28505
+C	-2.4534378591	-0.0951324251	 0.2849282706	 0.105414
+O	-2.9965801768	 0.0730753143	 1.5821408954	-0.42991
+C	-1.3655422359	 0.980087717	-0.0079475132	-0.186048
+C	-1.330362273	 1.4105440476	-1.4626275636	 0.15716
+O	-1.1272154188	 2.534792023	-1.8429233285	-0.255107
+H	 1.1854288147	 1.6739316161	 1.3139825393	 0.131601
+H	 2.0685825704	 0.3095150752	 0.6011473874	 0.126291
+H	 1.4312054434	 1.6141516759	-0.4223295507	 0.145252
+H	 0.5120171424	-1.8062277571	 0.5290878875	 0.096166
+H	-1.8691881549	-1.8916296123	-0.8584375518	 0.114022
+H	-2.1000415615	-2.1732310501	 0.8616420877	 0.113271
+H	-3.3089041572	-0.0123329446	-0.3914715098	 0.092473
+H	-2.270268462	-0.0021580512	 2.2120572228	 0.282307
+H	-1.5191097676	 1.8747071306	 0.6040213759	 0.095978
+H	-1.4705686522	 0.5757407387	-2.1891020466	 0.075946
+19
+0 4302	2.6318637	1.5470837	1.1906018	2.6131	76.5	-0.24097	0.00073	0.2417	1098.3987	0.157333	-422.555505	-422.547112	-422.546168	-422.588418	32.189
+C	 1.2866095612	 0.6229674537	-0.2437553745	-0.491729
+C	 0.0075678289	-0.113521524	 0.0415595369	 0.312591
+C	-0.0502338926	-1.3903390804	 0.4307076847	-0.152765
+C	-1.3397616589	-2.1185769058	 0.7196447385	-0.283346
+C	-2.4587107227	-1.1918380063	 1.2337381319	 0.098271
+O	-2.2915387235	-0.9063895212	 2.6092527184	-0.437736
+C	-2.5127228147	 0.1146996116	 0.4230286626	-0.006363
+O	-1.8609160459	 1.2262001743	 1.053995429	-0.265229
+C	-1.2632616666	 0.6457277142	-0.1354854904	-0.036143
+H	 1.3953655515	 1.493538764	 0.4150353019	 0.136389
+H	 2.1585541716	-0.0212786612	-0.1042990644	 0.124576
+H	 1.3058110356	 1.0047924697	-1.2726304901	 0.124031
+H	 0.8742801265	-1.9529117944	 0.5425642673	 0.089138
+H	-1.6786073215	-2.6447865265	-0.1860108213	 0.106255
+H	-1.1773608377	-2.8899417128	 1.4788366933	 0.118755
+H	-3.4192569319	-1.7098813458	 1.1314836655	 0.078837
+H	-1.8284713208	-0.0578782656	 2.6463010348	 0.291745
+H	-3.4598232511	 0.3693437752	-0.0489705867	 0.098566
+H	-1.3106397174	 1.3166084712	-0.9936925674	 0.094157
+19
+0 4303	2.3490853	1.4141117	1.1087204	1.4959	78.16	-0.23267	-0.01989	0.21278	1178.0481	0.156286	-422.595794	-422.586721	-422.585777	-422.629634	33.676
+C	 1.2564060223	 0.8905124829	 0.3878606022	-0.473974
+C	-0.0433575678	 0.1378630507	 0.316547636	 0.316532
+C	-0.1069191863	-1.1749223907	 0.0865784091	-0.139776
+C	-1.3798763922	-1.9766853729	 0.010604363	-0.272602
+C	-2.5863360104	-1.2408334995	 0.5981246248	 0.016539
+O	-2.4709988103	-1.3040912519	 2.0210833536	-0.4322
+C	-2.5677561932	 0.2272712837	 0.1657997767	 0.357227
+O	-3.4990082258	 0.7480854611	-0.4021057104	-0.31786
+C	-1.2930750053	 0.9675673539	 0.5321386162	-0.383746
+H	 1.3727567256	 1.3857371133	 1.3607915227	 0.124715
+H	 2.1137646133	 0.2291995042	 0.2381551939	 0.122661
+H	 1.2982506189	 1.6829235692	-0.3704713341	 0.125213
+H	 0.8170749239	-1.7280555819	-0.0664241525	 0.081726
+H	-1.5976007786	-2.2456839564	-1.0324989613	 0.119673
+H	-1.2703583087	-2.92319306	 0.5540652304	 0.121301
+H	-3.5250583139	-1.6926095744	 0.2542632325	 0.083174
+H	-3.2769068802	-0.9347080077	 2.3977594081	 0.292278
+H	-1.2631043408	 1.9014212274	-0.0394095614	 0.123944
+H	-1.3588692005	 1.2527879789	 1.5929794606	 0.135174
+19
+0 4304	3.275401	1.0445993	0.8770638	3.6895	79.58	-0.23842	-0.04489	0.19352999999999998	1348.6201	0.155717	-422.592802	-422.583531	-422.582587	-422.627365	33.783
+C	 5.6776395674	 0.2803095087	 4.2213927295	-0.489312
+C	 5.6790743256	-0.2080865869	 2.7829975981	 0.284382
+O	 6.7064312794	-0.5605545332	 2.2371688371	-0.309397
+C	 4.3716604602	-0.236969931	 2.0740479074	 0.246726
+C	 4.2366530707	-0.6417025203	 0.8036436824	-0.124052
+C	 2.8197088222	-0.5504313172	 0.3181302898	-0.262111
+C	 2.0026324958	-0.3072947454	 1.6069369488	 0.116956
+O	 1.4614580401	-1.5687971317	 1.9802033958	-0.435429
+C	 3.0381679932	 0.2058370977	 2.6454921561	-0.362362
+H	 5.0557307437	-0.3713419651	 4.8462671863	 0.137921
+H	 6.6982185918	 0.2863350304	 4.6049653646	 0.139603
+H	 5.2495421102	 1.2869463173	 4.290059313	 0.134114
+H	 5.0668290642	-0.9759921428	 0.1928399998	 0.123388
+H	 2.7049651335	 0.2739459637	-0.3987888895	 0.115094
+H	 2.4698532307	-1.4583994623	-0.1839505905	 0.131151
+H	 1.194964025	 0.4202322705	 1.4494963075	 0.065651
+H	 0.9726109381	-1.4524238118	 2.8011805193	 0.281274
+H	 2.9914313039	 1.2989506922	 2.7466145885	 0.107951
+H	 2.8254144743	-0.2099836929	 3.637543096	 0.098451
+19
+0 4305	3.5519172	1.0276104	0.9088629	2.0951	79.15	-0.23322	0.01295	0.24617	1319.5028	0.156959	-422.547267	-422.538685	-422.537741	-422.581032	31.982
+O	 1.4637848449	-1.0154426991	 4.7594321893	-0.438642
+C	 1.0514075391	 0.2697986694	 4.3048759019	 0.115477
+C	-0.4817456047	 0.4668210135	 4.4550263925	-0.278641
+C	-1.0162358578	 0.1041268649	 3.0940976551	-0.187093
+C	-0.0459820143	-0.002807726	 2.1819702524	 0.378882
+C	 1.3101288165	 0.2975956283	 2.7842498006	-0.315064
+C	-0.2431574414	-0.3169455688	 0.7558738327	-0.046969
+C	 0.733996779	-1.081347028	-0.042786227	-0.185536
+O	 0.6362251006	 0.3315856418	-0.1831556895	-0.23508
+H	 1.2538277944	-1.0789997154	 5.696610138	 0.279067
+H	 1.6146710716	 1.0537629882	 4.8292758168	 0.061071
+H	-0.8814276222	-0.1612756641	 5.2616064876	 0.095522
+H	-0.7317081416	 1.5051994604	 4.7156227428	 0.107011
+H	-2.0737855442	-0.0277279256	 2.8908675061	 0.088518
+H	 2.0822664896	-0.4353800429	 2.5314842344	 0.119213
+H	 1.6723417591	 1.2757115504	 2.447252747	 0.118532
+H	-1.2828774031	-0.355212017	 0.4294510793	 0.088872
+H	 1.6476037413	-1.4461708894	 0.4227233364	 0.118922
+H	 0.3797638932	-1.6653716708	-0.8917529262	 0.11594
+19
+0 4306	2.5609532	1.189941	1.0040347	3.8214	79.43	-0.24661	-0.05714	0.18947	1253.7573	0.155702	-422.584744	-422.575471	-422.574527	-422.618942	33.748
+C	-1.2282683411	 0.4710402231	-1.3800412898	-0.411057
+C	-1.0510657569	-0.247046431	-0.0318271519	-0.095667
+C	-2.0338801771	-1.4302209914	 0.1678119237	 0.107123
+O	-2.4518172572	-1.3851567075	 1.5261484164	-0.440403
+C	-1.202949451	-2.7084907505	-0.1325282191	-0.289705
+C	 0.2180495278	-2.248973824	 0.0237264261	-0.132844
+C	 0.3073764457	-0.9134098609	 0.0937266129	 0.242998
+C	 1.5717533938	-0.1737215236	 0.2557020385	 0.06032
+O	 2.6696931687	-0.6830284212	 0.3084010496	-0.264054
+H	-1.1226312237	-0.2270894517	-2.2175983627	 0.119177
+H	-2.2155843842	 0.9391007429	-1.4468317687	 0.121338
+H	-0.4767397677	 1.2562383678	-1.5106045315	 0.121852
+H	-1.2248554231	 0.4711116999	 0.7777503423	 0.09816
+H	-2.9016852994	-1.3445291681	-0.5011773057	 0.063982
+H	-3.0375572419	-2.1322918239	 1.6852951758	 0.281701
+H	-1.4667269103	-3.5239805886	 0.5523296847	 0.107815
+H	-1.3817668736	-3.0887289555	-1.1482236568	 0.118077
+H	 1.0727704951	-2.9144049008	 0.0653750575	 0.125831
+H	 1.4581141363	 0.9310177349	 0.3404331987	 0.065357
+19
+0 4307	2.8951417	1.2708673	0.9372299	3.5176	80.33	-0.25478	-0.0656	0.18918000000000001	1254.1223	0.156441	-422.591233	-422.582299	-422.581355	-422.624861	33.196
+C	-2.0341811497	 3.5859423521	-0.7908578904	-0.417514
+C	-1.4762649969	 2.4158424671	 0.013766223	 0.031622
+C	-2.0521637286	 1.0219799663	-0.3575371296	-0.282234
+C	-0.9140465544	 0.082569306	-0.0644471621	-0.157766
+C	 0.2407011545	 0.7429644065	 0.101372403	 0.21607
+C	 1.5411018217	 0.1487089078	 0.3877595597	 0.068624
+O	 2.5544462782	 0.8043075126	 0.5487545782	-0.293682
+C	 0.0569248241	 2.240491475	-0.0797681746	 0.022992
+O	 0.6998459197	 3.0287495712	 0.901042945	-0.444994
+H	-1.5615401837	 4.5231129596	-0.482096635	 0.134693
+H	-1.8507976497	 3.4522525368	-1.8634209202	 0.111845
+H	-3.1147348378	 3.6907356472	-0.6478121327	 0.112628
+H	-1.6723735056	 2.585322869	 1.0792879578	 0.09649
+H	-2.9658832888	 0.7702416149	 0.1921167634	 0.117924
+H	-2.3159001939	 0.9695679241	-1.4249614823	 0.120194
+H	-1.024726993	-0.9972619053	-0.0204569103	 0.113197
+H	 1.564476052	-0.9597318322	 0.4615822608	 0.0838
+H	 0.4133898873	 2.5233844057	-1.0872132841	 0.070459
+H	 1.6250956645	 2.7473821957	 0.9064347704	 0.295652
+19
+0 4308	2.9807211	1.0149737	0.8671692	2.1487	79.06	-0.23643	-0.028	0.20843	1365.6315	0.155728	-422.582941	-422.573681	-422.572736	-422.618516	33.111
+O	-3.9599882942	 1.7179691734	-0.5691421841	-0.438509
+C	-3.2158945005	 2.6885675943	 0.1586361695	 0.124033
+C	-2.5126574174	 3.576396418	-0.8933446047	-0.250107
+C	-1.1172852236	 3.0109167483	-0.9575690747	-0.169563
+C	-0.8615298271	 2.1716579271	 0.0484584248	 0.324921
+C	 0.4106421311	 1.4093238488	 0.2993995467	-0.382552
+C	 0.1903441546	-0.0616566532	-0.0273804127	 0.160108
+O	 0.132315578	-0.94419177	 0.7883429968	-0.237128
+C	-2.0609268295	 2.0399881027	 0.9643333961	-0.329577
+H	-4.3513294709	 1.1075405915	 0.0639734828	 0.281196
+H	-3.8848295671	 3.2716868829	 0.8061825949	 0.062516
+H	-3.0527367663	 3.5211830483	-1.8440997144	 0.123201
+H	-2.5026807827	 4.6318138063	-0.5898897827	 0.105717
+H	-0.4049956823	 3.2905261866	-1.7268024867	 0.089103
+H	 1.2107970975	 1.7909362215	-0.3459277376	 0.116998
+H	 0.7253635955	 1.4804511802	 1.3458857128	 0.1216
+H	 0.0441193134	-0.264084082	-1.1126671311	 0.083449
+H	-2.2908092283	 0.9996818563	 1.2270842792	 0.108715
+H	-1.8829584603	 2.5670437591	 1.9124913949	 0.105877
+19
+0 4309	2.4627138	1.7359956	1.276891	2.2124	77.15	-0.23731	0.00476	0.24207	1040.7916	0.156294	-422.530314	-422.521777	-422.520832	-422.562851	32.874
+C	-0.0936096608	 1.6110237905	-0.1445282606	-0.43663
+C	 0.036948779	 0.1057677028	 0.0015930586	 0.391937
+O	-1.2523791953	-0.4812086727	 0.4380347109	-0.348335
+C	-0.7249797477	-0.7215506024	 1.7783024593	-0.169657
+C	 0.6571835193	-0.49766768	 1.2246784383	 0.163436
+C	 1.841630957	-1.059293901	 1.0075519963	-0.213839
+C	 2.2409866191	-0.7820753527	-0.4392391461	-0.2915
+C	 0.8405959341	-0.5807975308	-1.1240575215	 0.057469
+O	 0.8539126263	 0.1764992765	-2.3151294783	-0.436725
+H	 0.8749520126	 2.0680143864	-0.3658589292	 0.12383
+H	-0.7677072645	 1.84105804	-0.9740862692	 0.137894
+H	-0.4947126301	 2.0546295865	 0.7705009213	 0.110966
+H	-1.0965300261	 0.0274409605	 2.489683067	 0.108363
+H	-0.9538802018	-1.7247425565	 2.1531171368	 0.117701
+H	 2.3862303675	-1.728075005	 1.6636755374	 0.099886
+H	 2.8526794077	 0.1203508274	-0.5683854737	 0.114829
+H	 2.8006247227	-1.6149453479	-0.8792372687	 0.098931
+H	 0.391030624	-1.5716234857	-1.2831322149	 0.084501
+H	 1.2860259269	-0.3417228859	-3.0003184536	 0.286945
+19
+0 4310	2.2885088	1.6461144	1.5291015	2.6184	77.29	-0.24192	-0.00294	0.23898	1005.6143	0.156675	-422.541589	-422.533113	-422.532169	-422.574105	33.09
+O	 0.1130864343	 1.4335838682	-0.0308477196	-0.430568
+C	 0.065305559	 0.0186959595	 0.0129500524	 0.070546
+C	 0.5408185104	-0.6065050448	-1.3394840484	-0.281045
+C	-0.7539007204	-0.6858325076	-2.1539314114	-0.26071
+C	-1.7860268528	-0.7171708493	-1.313674116	 0.241417
+C	-3.2117794009	-0.2707621306	-1.0580316445	-0.33992
+C	-2.674334731	 0.3017807873	 0.3131242786	-0.296837
+C	-1.3720960295	-0.5503185951	 0.1280240887	 0.373806
+O	-1.2942646541	-1.7200952596	 0.9308446836	-0.492617
+H	-0.3059024966	 1.711292987	-0.8540216335	 0.277526
+H	 0.6787187996	-0.2784611077	 0.8662939707	 0.095141
+H	 1.297240573	 0.0333641596	-1.8058424996	 0.105856
+H	 0.9989997422	-1.5916462814	-1.1888455011	 0.119991
+H	-0.7797787282	-0.6343574182	-3.2372959721	 0.097422
+H	-3.6496649228	 0.431026131	-1.7722074336	 0.114527
+H	-3.9225000464	-1.0909408779	-0.9083399827	 0.10926
+H	-2.4792367062	 1.3752913453	 0.2797161994	 0.114125
+H	-3.2596807754	 0.0629434243	 1.2040390272	 0.104201
+H	-2.0038265041	-2.3183398399	 0.6740281719	 0.277879
+19
+0 4311	3.5319324	1.2511837	0.9788327	2.7739	77.79	-0.23846	0.0133	0.25176	1194.3538	0.158303	-422.542039	-422.534098	-422.533153	-422.574246	30.955
+O	-0.0191488178	 1.4371182647	 0.0950682703	-0.436336
+C	 0.0090849102	 0.0183226515	 0.0273664318	 0.121293
+C	 0.8547954172	-0.4674186324	-1.1765250876	-0.272181
+C	 0.5032722269	-1.8594849484	-1.6531002207	-0.211746
+C	-0.4612706241	-2.5274346336	-1.041277351	 0.240532
+C	-1.5119570445	-3.5738926372	-1.3173382632	-0.162774
+O	-2.4516017061	-2.7997856752	-0.515349023	-0.310265
+C	-1.3686192703	-1.9871573612	 0.0257325347	 0.095894
+C	-1.4488422021	-0.4709951401	-0.035278567	-0.24931
+H	 0.8878398921	 1.7504602594	 0.1739556471	 0.280407
+H	 0.4551606864	-0.3893353656	 0.9505887643	 0.069628
+H	 0.6805408992	 0.2344275865	-2.0044836331	 0.120787
+H	 1.9236153409	-0.3839097565	-0.9321168193	 0.098817
+H	 0.9863563006	-2.2282411064	-2.5544890432	 0.092747
+H	-1.8435433678	-3.6930268033	-2.3549219597	 0.118589
+H	-1.334611472	-4.5654203399	-0.8770052865	 0.105223
+H	-1.1364114618	-2.3243940661	 1.0478375947	 0.078614
+H	-2.0164754473	-0.0301211957	 0.7888949444	 0.10827
+H	-1.9087253297	-0.1621856704	-0.979741993	 0.111812
+19
+0 4312	2.7580538	1.6989516	1.2783596	2.0181	77.15	-0.23419	0.01538	0.24957000000000001	1028.869	0.15868	-422.564961	-422.557104	-422.55616	-422.597141	30.443
+O	-0.3495775604	 1.3674893035	 0.0648618495	-0.426402
+C	-0.0320000962	-0.0099850841	-0.006942041	 0.071756
+C	 0.4999475179	-0.4124324847	-1.4190196598	-0.285113
+C	-0.7792063478	-0.6195881629	-2.2136548053	-0.219022
+C	-1.7996946048	-0.8243532822	-1.387552678	 0.311075
+C	-3.289653043	-0.7432034408	-1.3957404874	-0.352485
+C	-3.4764915865	 0.1306388478	-0.1263327384	-0.066082
+O	-2.4470815583	-0.2582971563	 0.791239051	-0.271316
+C	-1.3614569089	-0.8007780478	 0.057402784	 0.089848
+H	 0.4664930089	 1.8642138076	-0.0479689959	 0.282341
+H	 0.665453447	-0.29283096	 0.7942552502	 0.058584
+H	 1.1409028756	 0.371261825	-1.8417816819	 0.093444
+H	 1.1148745061	-1.3219020437	-1.3600406098	 0.105842
+H	-0.8276544882	-0.5407413668	-3.2935396832	 0.093237
+H	-3.7119098269	-0.2866002268	-2.2935140089	 0.112756
+H	-3.7575257428	-1.7247531556	-1.249331696	 0.11293
+H	-3.3702765933	 1.1931091908	-0.3835828291	 0.109077
+H	-4.4402873005	-0.0197408128	 0.3684990846	 0.103244
+H	-1.149590318	-1.8062720703	 0.4546512454	 0.076285
+19
+0 4313	2.9080345	1.5354419	1.1620164	1.8588	76.67	-0.24162	0.00685	0.24847	1077.2869	0.159058	-422.565144	-422.55738	-422.556436	-422.597359	30.19
+O	 0.1436885528	 1.4144978066	 0.0312714542	-0.427018
+C	 0.0636674966	-0.0016087144	 0.0015031437	 0.090533
+C	 0.5443394491	-0.5677490964	-1.3688483898	-0.274505
+C	-0.7403224784	-0.6143312163	-2.1803788218	-0.264773
+C	-1.7938719184	-0.6124349296	-1.3662805476	 0.327215
+C	-3.2823075786	-0.4671780154	-1.4452485086	-0.182291
+O	-3.6893299883	-0.0839431028	-0.1255101717	-0.271013
+C	-2.5453692128	 0.3042804207	 0.6510239512	-0.101843
+C	-1.3916008915	-0.5302350116	 0.0890146757	-0.09467
+H	-0.3104910435	 1.7455195508	-0.7526820512	 0.280607
+H	 0.6844909669	-0.3389211521	 0.8350234277	 0.085716
+H	 1.3201451466	 0.0740797681	-1.8004024615	 0.109562
+H	 0.9862418502	-1.5673919991	-1.2518318381	 0.110354
+H	-0.7606013409	-0.635707118	-3.2641841325	 0.096415
+H	-3.5830078671	 0.2927656796	-2.181902468	 0.108174
+H	-3.8007074994	-1.4004129814	-1.7015936286	 0.117147
+H	-2.3360157483	 1.377487522	 0.5405222636	 0.095158
+H	-2.7865363856	 0.1038593937	 1.6978199065	 0.109012
+H	-1.3958083595	-1.5283002444	 0.5494777868	 0.086222
+19
+0 4314	2.0813731	1.5825359	1.3566012	3.2987	77.42	-0.2404	-0.05753	0.18287	1075.1633	0.157134	-422.59948	-422.590653	-422.589709	-422.632783	33.228
+C	-1.2824207102	 1.6775489196	-1.4455096785	-0.415442
+C	-0.9028997493	 1.3164060259	 0.0039334326	-0.102416
+C	-2.1256456816	 1.1508553478	 0.924935616	 0.096661
+O	-1.7421683013	 1.1610539233	 2.2952575474	-0.440866
+C	-2.9272441343	-0.1178463559	 0.5889476765	-0.285464
+C	-2.038199448	-1.3205785728	 0.4414368221	-0.056034
+C	-0.7257096349	-1.2378549958	 0.1801420396	-0.149912
+C	-0.0336740892	 0.0561913631	-0.0149545135	 0.360296
+O	 1.1622099863	 0.1104750935	-0.2246826692	-0.340194
+H	-1.8576350586	 0.8809623426	-1.9289706097	 0.121921
+H	-1.8822675068	 2.5928908447	-1.4706850803	 0.121045
+H	-0.3783336584	 1.8425138234	-2.0369098162	 0.142089
+H	-0.2824688891	 2.1200379824	 0.4120660928	 0.105533
+H	-2.7741933665	 2.0267000574	 0.8164536534	 0.089207
+H	-1.1945099706	 0.3850355505	 2.4599556082	 0.282827
+H	-3.6671621361	-0.2869409588	 1.378575498	 0.123834
+H	-3.5010557858	 0.0227673608	-0.338306605	 0.125711
+H	-2.5017808074	-2.2987745755	 0.552345341	 0.112139
+H	-0.1015013982	-2.1214698864	 0.0885529747	 0.109067
+19
+0 4315	2.1534626	1.771953	1.0153556	3.5943	78.46	-0.25371	-0.05912	0.19458999999999999	1161.2658	0.157349	-422.604377	-422.595849	-422.594905	-422.637205	32.693
+C	-2.959903317	-2.4275311898	 1.0540457111	-0.409556
+C	-2.1011912911	-1.1624212617	 1.020394153	-0.006518
+C	-2.9144337888	 0.0866114392	 0.63735353	-0.272869
+C	-2.0631694467	 1.3006694727	 0.3951376855	-0.051759
+C	-0.7480221345	 1.2449305785	 0.1421726319	-0.136694
+C	-0.0471759925	-0.0444679548	 0.0860808288	 0.342303
+O	 1.1667000307	-0.1545836685	 0.0646324142	-0.359207
+C	-0.9179195971	-1.3015955301	 0.0495026998	 0.050383
+O	-0.1378470027	-2.4308559657	 0.3283045525	-0.449191
+H	-3.7777394906	-2.3274084959	 1.7755511238	 0.108837
+H	-3.4012291589	-2.6287436561	 0.0706422444	 0.111938
+H	-2.35327585	-3.2910543486	 1.3342468724	 0.144256
+H	-1.6771584427	-0.9997762949	 2.0211530244	 0.086146
+H	-3.4973159407	-0.1178754491	-0.2756771708	 0.124307
+H	-3.6605272265	 0.3075561692	 1.4099937723	 0.117743
+H	-2.5601165182	 2.267915979	 0.4316051877	 0.113372
+H	-0.1448066622	 2.1359067521	 0.0012005597	 0.113119
+H	-1.3312593492	-1.3621067338	-0.9782864339	 0.082194
+H	 0.7804081488	-2.1180256818	 0.2718260332	 0.291196
+19
+0 4316	2.2372784	1.6176129	1.2030917	1.342	76.99	-0.2334	-0.01976	0.21364	1110.1781	0.156592	-422.592197	-422.583221	-422.582277	-422.625831	33.456
+C	 0.0507185031	 2.3964065618	 0.3057057255	-0.401166
+C	-0.8284930964	 1.1917658991	-0.0432020778	-0.121396
+C	-2.1272301854	 1.1592549015	 0.7378516059	-0.040305
+C	-2.6804845706	 0.0543034397	 1.2328079146	-0.066893
+C	-2.087052886	-1.3219548497	 1.0862785725	-0.270905
+C	-0.9802178172	-1.3737795244	 0.0278519565	 0.013282
+O	-1.6185825457	-1.3909059339	-1.2493860274	-0.428919
+C	-0.0905245605	-0.1306640776	 0.1433897492	 0.353784
+O	 1.0951553675	-0.2100373338	 0.3662230958	-0.321227
+H	 0.3370705016	 2.3774780276	 1.3611710779	 0.127437
+H	 0.9684572498	 2.3911777284	-0.286099717	 0.129141
+H	-0.4863734786	 3.3297564744	 0.1113596209	 0.109166
+H	-1.0909116499	 1.2400776283	-1.1124305146	 0.114308
+H	-2.6123540863	 2.1217700364	 0.8837666305	 0.0907
+H	-3.6131261876	 0.1242600727	 1.7868283385	 0.091686
+H	-1.6824494593	-1.6621011083	 2.0493790387	 0.12261
+H	-2.8569705838	-2.0496339837	 0.8020503319	 0.122787
+H	-0.3492562476	-2.2602549416	 0.1690390144	 0.083924
+H	-0.9389157371	-1.5324246267	-1.916928426	 0.291985
+19
+0 4317	2.2200524	1.6827105	1.0370163	3.0241	76.32	-0.24311	-0.02625	0.21686	1162.2176	0.156622	-422.593968	-422.585232	-422.584287	-422.627464	33.108
+C	 0.2455371738	 2.3103392078	-0.491750971	-0.403771
+C	-0.9174069057	 1.3753296357	-0.1281500887	-0.07333
+C	-1.9321080829	 1.180253544	-1.2769532263	-0.280935
+C	-2.859366267	 0.0186501868	-1.0104679621	-0.076731
+C	-2.3758944422	-1.1122696034	-0.5006375528	-0.095602
+C	-0.8954955695	-1.239008808	-0.2293611048	 0.014105
+O	-0.5763679849	-2.3487897787	 0.5599363667	-0.443689
+C	-0.395359004	 0.0541726265	 0.4217085658	 0.368791
+O	 0.3645012255	-0.0148615983	 1.3639766491	-0.346885
+H	 0.9247915483	 2.418782316	 0.3566443805	 0.143179
+H	 0.816606402	 1.9164277386	-1.3395141362	 0.120528
+H	-0.1298960873	 3.2994442122	-0.7701498375	 0.119528
+H	-1.4567247509	 1.8178039585	 0.7204654162	 0.12033
+H	-2.4922159939	 2.108970129	-1.4210405421	 0.111301
+H	-1.3856129489	 1.0119401934	-2.2177504027	 0.116626
+H	-3.913775087	 0.1227424106	-1.246035021	 0.099281
+H	-2.9856904972	-1.9813912103	-0.2789836091	 0.113495
+H	-0.3676427443	-1.2983359631	-1.2047587232	 0.101154
+H	 0.0281077761	-2.0082044571	 1.2394861293	 0.292625
+19
+0 4318	2.1494437	1.7162797	1.43144	2.6455	77.34	-0.2374	-0.00905	0.22835	1027.0985	0.158595	-422.559528	-422.551218	-422.550274	-422.591899	32.572
+O	-2.4330734541	-1.2586133288	 0.616679133	-0.424665
+C	-2.8720749787	-0.5830558737	 1.8152693292	 0.041814
+C	-3.6478682915	 0.6582646519	 1.3744698145	-0.251164
+C	-2.8952001724	 1.7670992677	 0.6879669336	-0.033738
+C	-1.5841728892	 1.9812532704	 0.5752775103	-0.090419
+C	-0.4316001206	 1.1401632464	 1.0855813887	 0.040298
+O	-0.0139789911	 0.1976944155	 0.092531351	-0.441602
+C	-0.6706805397	 0.4693278181	 2.4289219337	-0.065937
+C	-1.7227724684	-0.2826386906	 2.7512607893	-0.103264
+H	-1.940030904	-2.0381628482	 0.8967875785	 0.289135
+H	-3.5843747531	-1.2397453846	 2.3343094984	 0.073823
+H	-4.4486556322	 0.3219093914	 0.7026227205	 0.118471
+H	-4.1590162667	 1.0669360623	 2.2586105623	 0.115748
+H	-3.5537431349	 2.4939831727	 0.213920699	 0.088565
+H	-1.2708434948	 2.8448963365	-0.0072321578	 0.09102
+H	 0.4303712901	 1.8048179466	 1.2029368331	 0.081362
+H	-0.7982025073	-0.350171969	-0.0682349928	 0.281533
+H	 0.1224484593	 0.590251049	 3.1632589007	 0.097987
+H	-1.7671957705	-0.7403549437	 3.7367320449	 0.091032
+19
+0 4319	3.1180665	1.1577596	0.8928676	2.9946	78.28	-0.24324	-0.02893	0.21431	1305.0855	0.155547	-422.575777	-422.566766	-422.565822	-422.610242	32.707
+C	 1.044910704	 1.192860683	 0.0204257274	-0.404622
+C	 1.0138677983	-0.3252922432	 0.0908253664	 0.140833
+C	 1.8327894649	-0.8995904846	 1.252735788	-0.257045
+C	 2.0422092411	-2.3805409007	 1.076332542	-0.081946
+C	 1.8237270023	-2.9852897908	-0.0874553683	-0.073985
+C	 1.4085702246	-2.2071727411	-1.3099854595	-0.000186
+O	 1.52202978	-0.8103823426	-1.1530953767	-0.285287
+C	 2.2736914659	-2.5850822817	-2.5133160066	 0.132221
+O	 2.4091692769	-3.7123791012	-2.906682226	-0.247077
+H	 0.6614284532	 1.627303614	 0.9485214801	 0.117163
+H	 2.0704839604	 1.5443175811	-0.1297438214	 0.126161
+H	 0.4336020188	 1.5517798058	-0.811612329	 0.124623
+H	-0.0291603949	-0.6673735758	 0.2003242659	 0.071214
+H	 2.8007343165	-0.3824447053	 1.3189389524	 0.113842
+H	 1.3144136748	-0.6992492999	 2.1990120822	 0.107739
+H	 2.3715285996	-2.9546819154	 1.9381555754	 0.097631
+H	 1.9473873515	-4.0538486913	-0.2288444581	 0.11632
+H	 0.3708931434	-2.4847038875	-1.5829145702	 0.103447
+H	 2.7665426687	-1.7126248527	-2.9942715241	 0.098952
+19
+0 4320	2.4406892	1.6086862	1.2478318	3.1098	76.88	-0.24263	-0.03388	0.20875000000000002	1063.5975	0.157505	-422.587919	-422.579495	-422.578551	-422.620904	31.977
+O	 4.3714496203	-0.5439315751	-1.0349357192	-0.451714
+C	 4.2849862101	 0.6658335801	-1.7726002145	 0.137809
+C	 3.6543914771	 0.3270811721	-3.1286433503	-0.25677
+C	 2.1595567502	 0.1693662809	-3.0497290652	-0.030774
+C	 1.4151602319	 0.6052533894	-2.0351021496	-0.079377
+C	 1.9998322597	 1.3241841106	-0.8350999873	-0.115071
+C	 3.4634290688	 1.7401087572	-1.0471047744	-0.28738
+C	 1.7767634242	 0.4750692035	 0.4062750429	 0.164833
+O	 2.6401525458	 0.0757894532	 1.1502798106	-0.257719
+H	 4.1948370619	-0.354612574	-0.1046243209	 0.295181
+H	 5.2969903988	 1.0655748784	-1.9442007879	 0.06085
+H	 3.9066961518	 1.102109955	-3.8668284296	 0.103371
+H	 4.1089518995	-0.6003200586	-3.4947146233	 0.121495
+H	 1.6715618049	-0.3208597486	-3.8889758798	 0.092855
+H	 0.3389624216	 0.4521340146	-2.0377197364	 0.091243
+H	 1.3869733949	 2.2238315376	-0.6570605086	 0.101022
+H	 3.4864559147	 2.656761664	-1.6466491149	 0.10506
+H	 3.9257116235	 1.9744516072	-0.0824322249	 0.112869
+H	 0.7094384404	 0.2353346126	 0.6077536933	 0.092217
+19
+0 4321	2.2439372	1.566811	1.2821592	2.116	76.56	-0.24436	-0.03021	0.21415	1079.2619	0.155611	-422.584663	-422.575526	-422.574581	-422.618435	33.951
+C	-0.0300477773	-0.0881780939	-0.3896853981	-0.41899
+C	 1.476165779	-0.0911735524	-0.0240753202	 0.11057
+C	 1.5853991339	-0.7915193239	 1.3144658304	 0.121086
+O	 1.7335698581	-0.2149846954	 2.3648389376	-0.26716
+C	 2.2982394272	-0.7270411286	-1.1294512862	-0.115058
+C	 2.9004219108	 0.1976437207	-1.8782562771	-0.078472
+C	 2.6164590624	 1.5976516567	-1.3881106849	-0.288891
+C	 2.0949835729	 1.3416339338	 0.0364078117	 0.108333
+O	 1.217812457	 2.3587022431	 0.4658090578	-0.437265
+H	-0.6040985896	 0.4901796443	 0.3382456937	 0.130776
+H	-0.1734624185	 0.3609165169	-1.3755295328	 0.1336
+H	-0.4262404276	-1.108786463	-0.4222712239	 0.114729
+H	 1.4760618555	-1.9005390961	 1.2855918317	 0.080071
+H	 2.3269062444	-1.7985091343	-1.2983157708	 0.098053
+H	 3.5033319036	-0.0090889062	-2.7553684234	 0.100927
+H	 3.4910797209	 2.2553268501	-1.4005086652	 0.110198
+H	 1.8423085485	 2.0877448162	-1.9944905477	 0.120569
+H	 2.9594377005	 1.2799565544	 0.7110097393	 0.086124
+H	 1.0971853784	 2.2338011878	 1.4141080581	 0.290801
+19
+0 4322	2.4465684	1.4857521	1.168871	2.4894	77.52	-0.25356	-0.03913	0.21443	1120.0451	0.15583	-422.588119	-422.579169	-422.578225	-422.62176	33.57
+C	 0.6980773455	-0.3486571102	-0.9135891354	-0.400654
+C	 1.031570899	 0.3187853954	 0.4171470871	-0.035585
+C	 1.7076189029	 1.7090755629	 0.3109918365	-0.276003
+C	 2.647101194	 1.735067237	 1.4865348743	-0.075388
+C	 2.7899605608	 0.539022751	 2.0530355742	-0.107324
+C	 1.9988548518	-0.5338027679	 1.3237406875	 0.264436
+O	 2.8610356479	-1.3751045342	 0.5916235735	-0.47021
+C	 1.182417127	-1.3844725379	 2.2793070843	 0.113422
+O	 1.2771548617	-2.5879014521	 2.3171023957	-0.278912
+H	 0.1916745754	-1.3078175774	-0.7642179452	 0.116131
+H	 0.0362842348	 0.2903011701	-1.5071413051	 0.11005
+H	 1.6076960237	-0.5409857401	-1.4869546352	 0.138434
+H	 0.1033558926	 0.4616603227	 0.9863066703	 0.076899
+H	 2.2637463465	 1.8227132219	-0.6298748856	 0.118307
+H	 0.9715016834	 2.5207089925	 0.3340744551	 0.108102
+H	 3.1730713454	 2.6322229662	 1.7957612782	 0.103731
+H	 3.4540061482	 0.2932596998	 2.8736606627	 0.105106
+H	 2.6438504077	-2.2793309011	 0.8721529347	 0.290107
+H	 0.4842283616	-0.8317226685	 2.9404822525	 0.09935
+19
+0 4323	2.6978828	1.6391276	1.2420606	1.9544	76.61	-0.24832	0.00105	0.24937	1053.4771	0.157978	-422.555174	-422.547117	-422.546172	-422.588061	30.956
+O	 0.1800528306	-0.0480714198	 0.2953741158	-0.445012
+C	-1.0358610359	 0.6487573567	 0.2004909045	 0.079641
+C	-1.0239167823	 2.1071330284	 0.7329229813	-0.300764
+C	-2.3986121968	 2.2531971591	 1.3327772361	-0.073898
+C	-3.0247089945	 1.0823613113	 1.4663194257	-0.129104
+C	-2.1751949187	-0.0544979398	 0.9921805132	 0.391306
+C	-2.799011389	-1.331328029	 0.3841789305	-0.354933
+C	-2.1257032606	-2.0783873566	 1.546429451	-0.072332
+O	-1.6067775656	-0.8448101475	 2.0990826408	-0.340639
+H	 0.1652264088	-0.4482657754	 1.1787124786	 0.285712
+H	-1.3203296593	 0.6658829196	-0.8587650053	 0.089515
+H	-0.2408956696	 2.2291279568	 1.4922436716	 0.119403
+H	-0.8149101136	 2.839858854	-0.0539407858	 0.107022
+H	-2.8086607623	 3.2123088431	 1.6321877668	 0.101129
+H	-4.0044873638	 0.9303243096	 1.9049902188	 0.096455
+H	-3.8904216232	-1.3509890529	 0.387221419	 0.109979
+H	-2.4349673827	-1.5844310156	-0.613099834	 0.119231
+H	-2.7961931795	-2.5797106576	 2.2530221088	 0.107873
+H	-1.321631842	-2.7667655443	 1.2635733527	 0.109416
+19
+0 4324	2.7041355	1.586319	1.1980302	1.7738	76.1	-0.24611	0.00901	0.25512	1066.2129	0.15801	-422.545088	-422.537034	-422.536089	-422.577775	30.976
+O	 0.5509707036	 0.0595554272	 0.7502143874	-0.436431
+C	-0.8469373831	-0.0515263166	 0.922947388	 0.083799
+C	-1.5927860497	 0.5663048676	-0.2755355391	-0.283812
+C	-2.8571710191	 1.0898085565	 0.3607722116	-0.075453
+C	-2.768871229	 1.13118366	 1.6915045196	-0.163781
+C	-1.4292331418	 0.6688546178	 2.1778012212	 0.23635
+C	-0.4580197863	 1.6819820224	 2.8426108193	-0.129424
+O	-0.07595705	 0.6997650961	 3.833456573	-0.286843
+C	-1.2297626126	-0.1033691147	 3.5005195044	-0.145043
+H	 0.976250522	-0.2581130829	 1.555536656	 0.291877
+H	-1.1373099095	-1.1122510348	 1.0030099484	 0.072041
+H	-0.9928955638	 1.3773818986	-0.7095533623	 0.122493
+H	-1.7725412598	-0.1578947999	-1.0765860056	 0.109354
+H	-3.7145990763	 1.4146687867	-0.2182608179	 0.09918
+H	-3.5377410532	 1.4976178894	 2.3637141954	 0.096893
+H	 0.389621806	 2.0191678051	 2.2407685306	 0.119927
+H	-0.9659254295	 2.5422723482	 3.2992565869	 0.09377
+H	-0.9877386667	-1.1713337823	 3.426821357	 0.099346
+H	-2.0428524012	 0.0303510455	 4.2289085562	 0.095758
+19
+0 4325	2.5929571	1.2471739	1.1281504	1.311	77.2	-0.23094	-0.01527	0.21567	1194.6499	0.155427	-422.590561	-422.581147	-422.580202	-422.625629	33.858
+C	 0.5879073339	 3.0738097102	-3.5400331235	-0.479781
+C	-0.2639767581	 2.9379212319	-2.2917923707	 0.373499
+O	-1.4279921292	 3.2669396421	-2.2718051586	-0.301774
+C	 0.4315714615	 2.3448173398	-1.0607198544	-0.133102
+C	 0.4913337256	 0.8314268728	-1.1825999938	-0.084854
+C	-0.3282261878	 0.2330562086	-0.3209313927	-0.04796
+C	-1.0660701901	 1.2227351341	 0.5436221438	-0.282805
+C	-0.3504293432	 2.5697138996	 0.2538600219	 0.103384
+O	 0.625488691	 2.8796169581	 1.2447020118	-0.448204
+H	 1.3641710365	 3.8297267139	-3.3715019789	 0.144267
+H	 1.1044656549	 2.1355852659	-3.7678561299	 0.138248
+H	-0.0325301581	 3.3733415902	-4.3854319952	 0.141704
+H	 1.4324274292	 2.7848685786	-0.9720253229	 0.099651
+H	 1.116627414	 0.3297127316	-1.9120813007	 0.095574
+H	-0.4683199972	-0.8392800641	-0.2400082106	 0.09701
+H	-2.1296944971	 1.267239196	 0.2768678858	 0.120954
+H	-1.0133130896	 0.9787261664	 1.6119743794	 0.096169
+H	-1.0683710103	 3.3889630029	 0.1431421879	 0.087081
+H	 0.1613516341	 3.0478960714	 2.0707937113	 0.28094
+19
+0 4326	2.8976986	1.1986197	1.0041995	3.1017	76.67	-0.25226	0.00931	0.26156999999999997	1229.9045	0.157125	-422.544046	-422.535562	-422.534618	-422.577683	31.778
+O	 3.3990538642	 2.0931220033	-2.2264534882	-0.436041
+C	 2.5055829296	 1.1837076308	-1.601394904	 0.116596
+C	 1.9103490858	 1.7786947659	-0.2996360231	-0.282654
+C	 2.8047206706	 1.2037625609	 0.7744248032	-0.07367
+C	 3.5466993754	 0.1943224235	 0.3158924459	-0.099617
+C	 3.2487125514	-0.1069153374	-1.1397872496	-0.094392
+C	 2.4042030039	-1.3584245042	-1.281053386	 0.092321
+C	 2.9825068833	-2.6630787902	-1.6254838711	-0.184626
+O	 2.2693452304	-1.8969872691	-2.5979456882	-0.23823
+H	 4.0878737062	 2.3064356615	-1.5861469669	 0.278617
+H	 1.7477290434	 0.9655393444	-2.3569584276	 0.100772
+H	 1.9158312669	 2.8729500863	-0.3465909268	 0.11204
+H	 0.8655149507	 1.4758739098	-0.1471900745	 0.112162
+H	 2.8135009141	 1.5722784113	 1.7944944079	 0.098051
+H	 4.2443162167	-0.3912425926	 0.9045033338	 0.096914
+H	 4.1462183223	-0.2351670578	-1.7555697096	 0.082435
+H	 1.4752692659	-1.3550493024	-0.706871059	 0.091945
+H	 4.0561985341	-2.7447574333	-1.7927720784	 0.112442
+H	 2.493331825	-3.5800789407	-1.2997111978	 0.114938
+19
+0 4327	2.8173645	1.2730886	0.956505	2.1126	77.85	-0.25266	0.00709	0.25975	1240.0671	0.156887	-422.599196	-422.590349	-422.589405	-422.633738	32.098
+C	-0.8287566386	 3.6503638077	-1.7806359008	-0.415525
+C	-1.7663227139	 2.4796427061	-1.48448459	 0.015558
+C	-3.2574832578	 2.8824040212	-1.3032552474	-0.276657
+C	-3.7381515153	 1.9994985956	-0.1807244963	-0.069517
+C	-2.7418553816	 1.3486676263	 0.4152176024	-0.095434
+C	-1.4135920191	 1.6829790206	-0.1991554974	 0.087959
+O	-0.7114081232	 0.4408075646	-0.505665676	-0.223401
+C	 0.6251689926	 0.4714812125	-0.4998881236	 0.180168
+O	 1.3254990537	 1.4280023839	-0.300647787	-0.305305
+H	-0.8694020946	 4.3941985634	-0.9764465454	 0.115331
+H	 0.2074788069	 3.3148684335	-1.8684225158	 0.142188
+H	-1.1119077972	 4.1527449452	-2.7114311146	 0.110602
+H	-1.7092854104	 1.7551487355	-2.3046426406	 0.089769
+H	-3.345932266	 3.9423621777	-1.0261035842	 0.110655
+H	-3.8425605222	 2.7590089264	-2.2220379898	 0.108296
+H	-4.7803241743	 1.9452786356	 0.1152294635	 0.101491
+H	-2.826590153	 0.6802817754	 1.2638708182	 0.103798
+H	-0.7633374255	 2.2518551507	 0.4731519539	 0.111417
+H	 0.9987072595	-0.5437884719	-0.7088160192	 0.108609
+19
+0 4328	3.2302998	0.9812064	0.8593748	1.8288	77.55	-0.24778	-0.02317	0.22461	1364.9959	0.155977	-422.57893	-422.569832	-422.568888	-422.613863	32.883
+O	-1.5053266507	 4.3897468028	-1.3339028305	-0.435428
+C	-1.6917248364	 3.0217174499	-1.6670838457	 0.110364
+C	-3.1919282052	 2.6356336209	-1.6691477442	-0.281388
+C	-3.3867704664	 2.0258846731	-0.3009089665	-0.075187
+C	-2.2235325365	 1.738793992	 0.2847414675	-0.078186
+C	-1.0437088172	 2.0895820912	-0.5988148369	-0.070109
+C	-0.3655535707	 0.8367188729	-1.2062186617	-0.287646
+C	 0.3505279008	 0.0252997666	-0.1514305828	 0.159836
+O	 0.1324031471	-1.1301479454	 0.1059614105	-0.238615
+H	-1.9339808247	 4.5398616889	-0.4831073058	 0.280659
+H	-1.225787345	 2.9048419726	-2.6489319823	 0.084551
+H	-3.8083400225	 3.5210249146	-1.8580892703	 0.113085
+H	-3.4307018046	 1.9117134479	-2.4601075442	 0.114383
+H	-4.3653529488	 1.8274287233	 0.1219915011	 0.100328
+H	-2.11036171	 1.2669185871	 1.2546701001	 0.10535
+H	-0.2760691818	 2.6659845486	-0.0664080066	 0.084866
+H	-1.0893331321	 0.1943319114	-1.7156269636	 0.122331
+H	 0.3891398153	 1.1670126013	-1.9344722584	 0.120006
+H	 1.1285468393	 0.5988628103	 0.4077772301	 0.070799
+19
+0 4329	2.7223641	1.5256621	1.114029	1.57	76.14	-0.24258	-0.00152	0.24106	1123.011	0.156769	-422.562432	-422.553942	-422.552997	-422.595058	32.894
+C	-2.4068889244	 3.5250424113	 2.7707712878	-0.483587
+C	-2.172082588	 2.2649477552	 1.9744313801	 0.379747
+O	-1.0287089122	 1.4778628274	 2.4160485913	-0.306931
+C	-0.9703718784	 2.1179411073	 1.1360712041	-0.058151
+C	-0.9920567504	 1.2109065881	-0.0744806996	 0.107472
+O	 0.3102530654	 0.7321021453	-0.38876004	-0.437978
+C	-1.9948127698	 0.0513437053	 0.0836902419	-0.295871
+C	-3.2985257843	 0.469143856	 0.7115037109	-0.096317
+C	-3.3746572567	 1.4738762168	 1.5840937943	-0.083688
+H	-2.9179275677	 3.2942383103	 3.7119148284	 0.128807
+H	-1.4598726133	 4.0154524593	 3.0068025024	 0.129962
+H	-3.036039888	 4.2252385129	 2.2106101453	 0.125558
+H	-0.2635098017	 2.9468435774	 1.0731157404	 0.090077
+H	-1.2811547689	 1.8239619658	-0.937587892	 0.096256
+H	 0.634580117	 0.2643380806	 0.389778913	 0.285239
+H	-2.1561128415	-0.4175425973	-0.8913913492	 0.112464
+H	-1.5266837217	-0.7132586688	 0.7195279799	 0.120256
+H	-4.1866919312	-0.105273371	 0.4633869254	 0.098106
+H	-4.3194954842	 1.7445623182	 2.0463367257	 0.088579
+19
+0 4330	2.5205797	1.498037	1.1226152	2.378	76.83	-0.23099	0.0075	0.23849	1121.8684	0.157153	-422.557416	-422.548996	-422.548052	-422.589924	33.236
+O	 0.0793308295	 0.1566416939	 0.0141736153	-0.440138
+C	-0.9078252425	-0.0412446775	 1.0191036349	 0.108869
+C	-0.9482729342	 1.1241952323	 2.0253474569	-0.292756
+C	-2.173352342	 1.0502232757	 2.9088136616	-0.064561
+C	-3.3367813736	 0.5666725053	 2.4690800382	-0.155944
+C	-3.5081046619	 0.0987436039	 1.0692648084	 0.394865
+O	-4.6103032935	 0.6447008651	 0.3878393515	-0.467265
+C	-3.195818537	-1.3188961588	 0.6819346956	-0.331359
+C	-2.2434010592	-0.2018126033	 0.3008507946	-0.108436
+H	 0.9358995555	 0.2207901842	 0.4490731408	 0.279811
+H	-0.6928760204	-0.9633259776	 1.5835543176	 0.068908
+H	-0.0373720431	 1.1195929776	 2.6371618345	 0.090914
+H	-0.9361505084	 2.0683388721	 1.4624709468	 0.115523
+H	-2.0821621006	 1.4016021101	 3.933251368	 0.092405
+H	-4.2135971774	 0.5293974444	 3.1108974897	 0.094087
+H	-4.4765508476	 1.5980654304	 0.3390226748	 0.278341
+H	-2.889760516	-2.0105185188	 1.460385178	 0.112168
+H	-3.8103465856	-1.7444872515	-0.1036236379	 0.121784
+H	-2.2223971021	 0.0915841025	-0.7428402392	 0.102784
+19
+0 4331	2.6913568	1.5441736	1.2354797	2.7963	77.35	-0.24772	0.00184	0.24956	1068.2444	0.157506	-422.558102	-422.549811	-422.548866	-422.590868	32.033
+O	 0.5128490761	-0.1240950016	 0.6702366672	-0.445999
+C	-0.4056037197	 0.8549658377	 1.1358638776	 0.11426
+C	-1.4492114436	 0.2499196362	 2.0952019643	-0.276318
+C	-0.9274042342	 0.0782479739	 3.4971876516	-0.067234
+C	 0.1833382331	 0.6653310247	 3.9467925874	-0.102038
+C	 1.0007767671	 1.552020455	 3.0830614545	 0.37605
+C	 2.1406213713	 2.2972083612	 3.6342876638	-0.244025
+O	 2.3790351388	 1.0938000315	 2.9090720682	-0.287789
+C	 0.3199633116	 2.0255788818	 1.8131697233	-0.310733
+H	 1.20100815	-0.2416203832	 1.3346472962	 0.300414
+H	-0.9211429543	 1.2127283038	 0.2382116708	 0.080349
+H	-2.3505579083	 0.8809800476	 2.1121185795	 0.10717
+H	-1.7655992792	-0.7187300147	 1.6922116681	 0.120095
+H	-1.4965440407	-0.5676015805	 4.1616430395	 0.096356
+H	 0.5469709852	 0.4828353508	 4.953890492	 0.091621
+H	 2.4653341761	 3.2145906737	 3.1431287901	 0.113999
+H	 2.3519811421	 2.2478957476	 4.7024162126	 0.114261
+H	-0.405466957	 2.8096437077	 2.0640976545	 0.105875
+H	 1.0641993956	 2.4517188869	 1.1346564589	 0.113685
+19
+0 4332	2.3363307	1.8403762	1.2126503	1.297	75.74	-0.24239	-0.00389	0.2385	1058.2384	0.156907	-422.562514	-422.55404	-422.553096	-422.59511	32.853
+C	-0.8197310829	 1.842924938	-1.4768591437	-0.468402
+C	 0.1151418438	 0.7206751345	-1.859043227	 0.357202
+O	 1.3061946104	 1.1099546669	-2.5618823486	-0.305988
+C	 0.3045509095	 0.3333768523	-3.2693546324	-0.059574
+C	 0.6445894701	-1.0697354351	-3.6114010899	-0.037329
+C	 1.1043892352	-1.9048216883	-2.6795462958	-0.100034
+C	 1.3154969112	-1.4560062342	-1.2582145267	-0.29058
+C	 0.3316912127	-0.3596218997	-0.8049442951	 0.0701
+O	 0.738423759	 0.2029444985	 0.4381746832	-0.437019
+H	-0.47954044	 2.3220243876	-0.5549377026	 0.13471
+H	-0.8628056253	 2.5915197778	-2.271433784	 0.12376
+H	-1.8300512309	 1.4593537788	-1.2980234218	 0.121937
+H	-0.2217015419	 0.9103356918	-4.0281882748	 0.087629
+H	 0.5079436931	-1.3873009113	-4.6402249206	 0.093155
+H	 1.3707600098	-2.9256919283	-2.9379057052	 0.098776
+H	 1.2478724572	-2.2972221128	-0.562082043	 0.112081
+H	 2.3343100557	-1.0556301176	-1.1608361634	 0.119682
+H	-0.6444698195	-0.8159758281	-0.5978280381	 0.094805
+H	 1.582077853	 0.6449227394	 0.2851035695	 0.285089
+19
+0 4333	2.2230966	1.7468619	1.4280109	2.574	75.86	-0.23897	0.00503	0.244	1010.907	0.157385	-422.556736	-422.548448	-422.547504	-422.58901	33.001
+O	 0.3640252668	-0.1108259377	 0.3536334808	-0.42749
+C	-0.9568011172	 0.20773979	 0.7670829527	 0.039105
+C	-0.9413409865	 0.799291393	 2.1893729142	-0.280695
+C	-0.6112261491	-0.2867079647	 3.1935229796	-0.105336
+C	-1.0765336386	-1.531496251	 3.0472535969	-0.054715
+C	-1.9638025282	-1.8930008595	 1.9120241323	-0.150726
+C	-1.4113978516	-2.3694776931	 0.5681814498	-0.318817
+C	-1.9414595963	-0.9816612363	 0.7090743813	 0.389725
+O	-3.1446706513	-0.7198286703	 0.0365351833	-0.469267
+H	 0.7916484887	-0.5652296544	 1.0894822863	 0.278916
+H	-1.317235352	 0.9444799419	 0.0428156642	 0.092285
+H	-0.2121108854	 1.6136962936	 2.2356973374	 0.109291
+H	-1.9222271088	 1.2433317287	 2.4158316289	 0.102091
+H	 0.022754121	-0.0332789788	 4.0384847138	 0.09298
+H	-0.8270429991	-2.3047804527	 3.7704440543	 0.091511
+H	-2.9262378138	-2.3256128252	 2.1755796156	 0.093825
+H	-0.3423312379	-2.4957540888	 0.4466817471	 0.116658
+H	-2.0297980348	-3.0666384887	 0.0145465082	 0.121819
+H	-3.6929257359	-0.1689541661	 0.6059887132	 0.27884
+19
+0 4334	2.6151899	1.7141067	1.2575801	1.3768	75.3	-0.24382	0.00401	0.24783	1031.822	0.158993	-422.547802	-422.540168	-422.539224	-422.579565	30.515
+O	 1.0841442261	 2.961005253	 2.3186254902	-0.434019
+C	 0.8369275886	 1.5988782274	 1.9887831348	 0.109696
+C	-0.5524723339	 1.1761436877	 2.5218708781	-0.261814
+C	-1.0555863914	-0.202873521	 2.1589670103	-0.079261
+C	-0.9436190262	-0.7926061075	 0.967244362	-0.047194
+C	-0.2036857088	-0.1850913811	-0.1911797788	 0.047834
+C	 1.3257941947	-0.1028871673	 0.0565977784	-0.268447
+C	 1.0016049227	 1.3454042518	 0.4756717492	 0.063917
+O	-0.2826701018	 1.2679636906	-0.1984331513	-0.291252
+H	 0.3954173601	 3.4906340585	 1.9005117044	 0.281035
+H	 1.621460082	 1.0443745536	 2.5169694113	 0.092901
+H	-0.5332134599	 1.2906120491	 3.6096245231	 0.10651
+H	-1.2736915427	 1.9141887847	 2.1456212609	 0.118665
+H	-1.5848249179	-0.7328194421	 2.9472531367	 0.093981
+H	-1.3542608829	-1.7881053229	 0.8165558383	 0.08723
+H	-0.5315552155	-0.6019028527	-1.148164408	 0.080098
+H	 1.7458299455	-0.775390463	 0.8054862482	 0.10667
+H	 1.9120216297	-0.1457632199	-0.86330221	 0.10966
+H	 1.6318985917	 2.136107581	 0.0563729324	 0.083791
+19
+0 4335	2.6193993	1.5196169	1.0970858	1.7119	75.14	-0.25153	-0.00248	0.24904999999999997	1112.3089	0.158189	-422.544655	-422.536609	-422.535665	-422.576942	31.544
+O	 0.4850434907	-3.1891272353	-0.9647152664	-0.432464
+C	 0.9211831349	-1.9722797862	-1.5619314385	 0.129458
+C	 2.432685752	-1.762972294	-1.2883446067	-0.276986
+C	 2.9622796777	-0.385704588	-1.6223737659	-0.063952
+C	 2.6389188135	 0.7075829831	-0.9298912948	-0.088451
+C	 1.7108769842	 0.6570798268	 0.2357415016	 0.01582
+O	 0.4553492394	 1.3455505185	 0.1225072667	-0.2593
+C	 0.4421835291	-0.0878665249	 0.1406636194	 0.033506
+C	 0.0487989988	-0.7635226045	-1.160128537	-0.254083
+H	 0.6698627762	-3.142339724	-0.0204438354	 0.277242
+H	 0.7714923707	-2.1371094388	-2.6344565827	 0.095026
+H	 2.597132313	-1.9572841841	-0.2199503127	 0.100642
+H	 2.9886288981	-2.5356253152	-1.8255491156	 0.111399
+H	 3.6413756175	-0.2996157685	-2.4669821107	 0.097826
+H	 3.0554013492	 1.6776754903	-1.1898289559	 0.100402
+H	 2.1707847975	 0.7770870217	 1.219594821	 0.094603
+H	 0.0305740802	-0.5065700207	 1.0603556655	 0.08712
+H	-0.9917797647	-1.1008505025	-1.1203509983	 0.109975
+H	 0.1138475022	-0.0041611237	-1.9431180635	 0.122217
+19
+0 4336	2.2079671	1.8992179	1.1136228	1.6904	75.91	-0.24043	0.01389	0.25432	1087.5005	0.158752	-422.553993	-422.546122	-422.545178	-422.586327	30.578
+O	-0.123554668	-0.0409762642	 0.4917136727	-0.445616
+C	-0.688745127	 1.0085040693	 1.2614350609	 0.11694
+C	-1.1426832593	 2.1214316183	 0.3153282147	-0.27087
+C	-1.698147054	 3.2856186741	 1.0997601497	-0.072304
+C	-1.2827630307	 3.5903555547	 2.3308867486	-0.072842
+C	-0.1720055184	 2.8458918494	 2.9985749659	-0.102669
+C	-0.424817424	 1.9071573707	 4.2099795835	-0.09237
+O	 0.2454340487	 0.813359033	 3.5437173605	-0.302675
+C	 0.2955269314	 1.5527205561	 2.2970534602	 0.079572
+H	 0.119192822	-0.7462693417	 1.1015078837	 0.288585
+H	-1.5740634662	 0.6486000245	 1.8086527694	 0.07537
+H	-0.2965659721	 2.4339101808	-0.3128909078	 0.119868
+H	-1.8952431376	 1.7211864435	-0.3714888211	 0.115157
+H	-2.4763226443	 3.8809838316	 0.6298332013	 0.092885
+H	-1.7185480555	 4.4315832482	 2.8650856561	 0.089756
+H	 0.6650280168	 3.5198963257	 3.2097887716	 0.09373
+H	 0.0653822754	 2.1719090343	 5.1529187944	 0.105155
+H	-1.4834014753	 1.6868418953	 4.4005325612	 0.100376
+H	 1.3053052079	 1.5548167463	 1.8695346148	 0.081952
+19
+0 4337	2.3947231	1.7708514	1.1971403	2.7352	75.45	-0.23709	0.00594	0.24303	1055.5762	0.158789	-422.551728	-422.543791	-422.542847	-422.584246	30.554
+O	 0.4055938001	 0.607150339	 0.8750462597	-0.439585
+C	-0.880750102	 1.0619382474	 0.4713709208	 0.098559
+C	-1.7250945306	-0.0620792598	-0.1497138911	-0.299764
+C	-2.9426966752	 0.4646774805	-0.8637446882	-0.064919
+C	-3.0096546583	 1.6887397283	-1.3875126918	-0.055444
+C	-1.8678095014	 2.6599089988	-1.3424490602	 0.066792
+O	-1.0522767058	 2.6026112856	-2.5539249452	-0.298029
+C	 0.0450220616	 1.998430528	-1.8339282045	-0.082329
+C	-0.6583431511	 2.2251300983	-0.4806006629	-0.055681
+H	 0.2858646443	-0.1143736583	 1.5010308942	 0.282174
+H	-1.4366614133	 1.4522102592	 1.3403191514	 0.069995
+H	-1.0962428612	-0.6310734016	-0.8484317299	 0.126041
+H	-2.0209921476	-0.7731043422	 0.6327560617	 0.094504
+H	-3.7886126925	-0.2112832865	-0.9627117207	 0.094389
+H	-3.9023296941	 2.0073299886	-1.9194567601	 0.093335
+H	-2.2273898583	 3.6828502876	-1.1810859665	 0.075407
+H	 0.1958141374	 0.9487850094	-2.1162543892	 0.101903
+H	 0.9830097422	 2.5423838979	-1.985952105	 0.105031
+H	-0.2153435745	 3.0581795798	 0.0684969574	 0.087619
+19
+0 4338	2.4204445	1.5509047	0.9881004	2.5899	80.01	-0.21782	-0.02566	0.19216000000000003	1179.4761	0.157736	-422.571224	-422.562531	-422.561586	-422.604896	33.159
+O	-1.500855943	-0.4583192209	-1.1452197135	-0.438002
+C	-1.510806675	-0.4890908934	 0.290484535	 0.040982
+C	-2.952253547	-0.6759988438	 0.7666510067	-0.265227
+C	-3.2523241818	-0.6024721285	 2.2371821522	-0.077103
+C	-2.4883118341	-0.1661690966	 3.2487185313	-0.073259
+C	-1.1452899382	 0.4074407053	 3.2234021531	-0.086851
+C	-0.4451343966	 0.8456368171	 2.1707286924	-0.073253
+C	-0.8614334235	 0.8409924238	 0.7275135001	 0.080947
+O	 0.3073291357	 1.0827230568	-0.0357961748	-0.451624
+H	-1.5431780216	-1.3611304236	-1.4720320098	 0.292045
+H	-0.8740210731	-1.3076605926	 0.6505722528	 0.085184
+H	-3.5765921343	 0.0547623895	 0.2322341517	 0.125742
+H	-3.2954959115	-1.6540535357	 0.3988698921	 0.09958
+H	-4.2470736526	-0.9617818078	 2.4935675727	 0.091862
+H	-2.9230051184	-0.2356556768	 4.2437556332	 0.086241
+H	-0.6812847778	 0.5139088096	 4.201144592	 0.088253
+H	 0.547423452	 1.2580605108	 2.325217846	 0.106635
+H	-1.6021733687	 1.643924303	 0.5528777843	 0.080397
+H	 0.0875610294	 0.7976687339	-0.9323564277	 0.287452
+19
+0 4339	2.132909	1.6842026	1.0072834	4.1665	77.66	-0.24395	-0.002	0.24195	1187.7372	0.156915	-422.592357	-422.583602	-422.582658	-422.626281	32.468
+C	-1.7581006941	 2.9944313201	-1.1545181328	-0.390771
+C	-1.4048068449	 1.5364229162	-1.4250638669	 0.148253
+C	-2.6441464688	 0.6339447803	-1.4670617243	-0.265425
+C	-2.3386339303	-0.7451396182	-1.9927259075	-0.071429
+C	-1.5216240406	-1.5692036291	-1.344581209	-0.064199
+C	-0.9022883719	-1.2132425009	-0.0153185233	-0.37518
+C	 0.0206873661	 0.0038620383	 0.0215324913	 0.39229
+O	 1.1031453213	-0.0484346788	 0.5407841894	-0.305976
+O	-0.4179350895	 1.2097344029	-0.4155174852	-0.248271
+H	-2.3033217649	 3.0902760845	-0.2102510229	 0.12558
+H	-0.8486973257	 3.5956539823	-1.0880180895	 0.137511
+H	-2.3831600338	 3.390071428	-1.9603925533	 0.116991
+H	-0.8909516867	 1.4585271148	-2.3920871412	 0.096458
+H	-3.0844897079	 0.5877846178	-0.4606226433	 0.115939
+H	-3.3827292742	 1.1290786121	-2.1047300815	 0.110566
+H	-2.7795054644	-1.0425802531	-2.9395580162	 0.097481
+H	-1.2878198801	-2.5487975979	-1.7498869974	 0.105116
+H	-1.6981900839	-1.0162863001	 0.7188956141	 0.138158
+H	-0.3053827757	-2.0358923091	 0.3776963195	 0.136911
+19
+0 4340	2.2435255	1.5062196	0.9961213	3.2228	77.33	-0.23485	-0.0176	0.21725	1191.6813	0.157449	-422.587094	-422.578461	-422.577517	-422.620385	32.688
+O	-1.9533914395	 2.9813495148	-1.2811893334	-0.420798
+C	-1.5587984566	 1.6180776303	-1.3351887601	 0.122688
+C	-2.787404405	 0.6869491616	-1.4173771954	-0.281014
+C	-2.4578250518	-0.7084444053	-1.8868270403	-0.054369
+C	-1.6653507468	-1.5618173575	-1.237686156	-0.062892
+C	-0.9822770737	-1.2583445481	 0.0790410192	-0.343248
+C	-0.0078373828	-0.0897874176	-0.0983319484	 0.381461
+O	 1.1834706338	-0.2674612273	-0.1867153497	-0.29786
+C	-0.6149599447	 1.3085625735	-0.1510591011	-0.310487
+H	-2.457794932	 3.1136786006	-0.4702975534	 0.278014
+H	-0.9934972081	 1.531300155	-2.2691292176	 0.107677
+H	-3.2737096072	 0.6589276049	-0.4290869136	 0.096199
+H	-3.4987084109	 1.1558360856	-2.1023203175	 0.115868
+H	-2.8813435354	-1.0152248389	-2.8393582657	 0.098044
+H	-1.4523847513	-2.531160835	-1.6782578724	 0.103954
+H	-1.7265287408	-0.9976751395	 0.8433775179	 0.114175
+H	-0.4121948918	-2.1196785569	 0.4299430933	 0.124399
+H	-1.1896791139	 1.4550822641	 0.7769057528	 0.09728
+H	 0.2052740586	 2.0293342257	-0.1618177585	 0.130908
+19
+0 4341	2.4049664	1.630321	1.3594148	1.4751	75.76	-0.25184	0.01583	0.26767	1035.9816	0.157545	-422.556247	-422.548042	-422.547097	-422.588689	31.924
+O	 0.5562157051	 0.364446085	 0.5400460864	-0.440493
+C	-0.7567163068	 0.6533648761	 1.0097827275	 0.033579
+C	-1.2244968582	 2.0499078383	 0.5800772001	-0.280543
+C	-1.5406435263	 2.0843732151	-0.8965461443	-0.084551
+C	-1.8365857411	 0.9928432708	-1.6048521776	-0.045972
+C	-1.8993157814	-0.3946571133	-1.0149132643	-0.347225
+C	-1.7502296505	-0.3790162348	 0.4959350994	 0.433203
+C	-2.0887515598	-1.552253056	 1.3021873861	-0.251545
+O	-2.9723604745	-0.424189748	 1.2506470781	-0.284646
+H	 0.607904772	 0.6708697421	-0.3727293964	 0.285086
+H	-0.7080958223	 0.5910127788	 2.1008882576	 0.088441
+H	-2.1121272554	 2.329596958	 1.1630621192	 0.131966
+H	-0.4445228609	 2.779183943	 0.8268721513	 0.109054
+H	-1.5260383107	 3.0544922957	-1.3866222415	 0.091747
+H	-2.0486026701	 1.0776788033	-2.6678319169	 0.091306
+H	-2.8517761826	-0.8749670785	-1.2679999586	 0.124672
+H	-1.113312296	-1.0232092656	-1.4579027535	 0.119644
+H	-2.4599089303	-2.453641847	 0.8152950678	 0.110404
+H	-1.5893902203	-1.7146053929	 2.2565484396	 0.115871
+19
+0 4342	2.048469	1.5749553	1.3947646	2.2121	75.86	-0.2428	-0.0253	0.2175	1063.4289	0.156814	-422.58562	-422.576881	-422.575936	-422.61904	32.54
+O	-0.8704177553	-1.6770319296	-2.4605421078	-0.441412
+C	 0.3305905335	-1.0375034812	-2.028868832	 0.118084
+C	 0.6144968269	 0.1006962115	-3.014693353	-0.259752
+C	-0.1482309026	 1.3634714931	-2.7158710125	-0.032673
+C	-0.8541642646	 1.5634481093	-1.6039637701	-0.053574
+C	-0.9736263222	 0.5299417441	-0.5147015972	-0.26315
+C	 0.1665099711	-0.5022272815	-0.5945346741	-0.148509
+C	 1.4599673709	 0.0625938606	-0.0340782705	 0.163231
+O	 2.5487426636	-0.0593695963	-0.5356928288	-0.251762
+H	-1.0091534928	-2.4542994008	-1.9096907169	 0.278854
+H	 1.1694329744	-1.7446023729	-2.0562079555	 0.080757
+H	 1.6907786704	 0.3105438013	-3.0138596004	 0.132493
+H	 0.3678986424	-0.2612844563	-4.0196504796	 0.117537
+H	-0.0959738811	 2.1476006023	-3.4674823643	 0.086768
+H	-1.3943018008	 2.4958299669	-1.4622188952	 0.085539
+H	-0.9755528214	 1.0098574017	 0.472427156	 0.099721
+H	-1.9337181566	 0.0062321608	-0.6006297545	 0.122177
+H	-0.0827799262	-1.3408232572	 0.0780046319	 0.085725
+H	 1.3369834004	 0.6045058943	 0.9332525946	 0.079946
+19
+0 4343	2.2897907	1.8701395	1.3476574	1.8042	75.2	-0.24232	0.02045	0.26277	1009.154	0.158658	-422.546883	-422.539094	-422.538149	-422.578746	30.942
+O	 0.5168791194	 1.2137577355	-2.1461331509	-0.436527
+C	-0.3533464101	 0.2941932654	-1.5148410558	 0.075718
+C	-0.399310391	-0.9989217043	-2.3335687683	-0.263942
+C	 0.8535790712	-1.8374773896	-2.4213852951	-0.021279
+C	 2.0348910939	-1.7116815705	-1.8132568626	-0.06755
+C	 2.46434685	-0.6355777553	-0.8387753437	-0.288386
+C	 1.4353124723	-0.3839373958	 0.2504416022	 0.061008
+O	 0.9898022566	 0.9700940405	 0.493323591	-0.277924
+C	 0.0684608079	 0.026894637	-0.0716083669	 0.029529
+H	 0.8529914019	 1.7842607179	-1.4407086259	 0.291976
+H	-1.3746768335	 0.7107756605	-1.4921184036	 0.068672
+H	-1.2159983006	-1.624742356	-1.9425919471	 0.107279
+H	-0.7089819854	-0.7320589114	-3.3530083427	 0.122514
+H	 0.7457450336	-2.6796973739	-3.104079296	 0.086408
+H	 2.7965691908	-2.4483570874	-2.0578993447	 0.085755
+H	 3.4165352134	-0.9153566807	-0.3774405237	 0.0983
+H	 2.6336144043	 0.2985121968	-1.3824246985	 0.135522
+H	 1.580852582	-0.946364886	 1.1723587871	 0.09958
+H	-0.7403054566	-0.2707119226	 0.5962712452	 0.093347
+19
+0 4344	2.3965793	1.6080753	1.1104783	4.1047	76.68	-0.25861	-0.00205	0.25656	1131.5304	0.1578	-422.596092	-422.587583	-422.586638	-422.629156	31.968
+C	 0.1005392772	-2.2840473115	 0.6322740147	-0.400903
+C	-0.7575858821	-1.1674450477	 0.0326503228	-0.145876
+C	-2.2281191199	-1.2852207429	 0.4908709381	-0.246626
+C	-3.2073955693	-0.3613708835	-0.1769309094	-0.043625
+C	-2.9323994692	 0.6717483696	-0.9707976213	-0.072808
+C	-1.5614661223	 1.1819410987	-1.3380072374	-0.142069
+O	-0.6381324154	 1.2863574882	-0.2439832014	-0.223381
+C	-0.1943207526	 0.1960655672	 0.4272274733	 0.431098
+O	 0.6002554748	 0.35317768	 1.3151409385	-0.323211
+H	 0.1040941467	-2.2233892987	 1.7232946942	 0.138175
+H	-0.2886983577	-3.2625974424	 0.3344308262	 0.106595
+H	 1.1375830125	-2.2062185797	 0.2975592115	 0.127442
+H	-0.7411417769	-1.2536335572	-1.0604935663	 0.098155
+H	-2.5552120987	-2.3180892861	 0.3103779729	 0.115564
+H	-2.2793182284	-1.1561821976	 1.5819367848	 0.129855
+H	-4.2535191881	-0.5856448149	 0.0223054349	 0.097953
+H	-3.7577924427	 1.2313481658	-1.4029391344	 0.100223
+H	-1.1108954634	 0.5921301934	-2.1479565936	 0.123337
+H	-1.6418276945	 2.2073960492	-1.7053320984	 0.130104
+19
+0 4345	2.4347717	1.5621647	1.0337868	2.9986	76.79	-0.25157	-0.02697	0.22460000000000002	1154.0482	0.158019	-422.590955	-422.582546	-422.581602	-422.624039	32.041
+O	 0.0774585616	-2.4391470434	 0.2614579834	-0.436012
+C	-0.8516353233	-1.4035572984	 0.098677138	 0.049579
+C	-1.6271454697	-1.598552309	-1.2358759899	-0.278215
+C	-2.8670661756	-0.7576074235	-1.3892737413	-0.062335
+C	-2.9056611835	 0.5751358363	-1.3679556309	-0.05235
+C	-1.7102102037	 1.4775580742	-1.1845927159	-0.265868
+C	-0.9163607812	 1.2330996096	 0.1264293941	-0.28379
+C	-0.1249937209	-0.0565952923	 0.1236227393	 0.361058
+O	 1.0904794469	-0.0577173929	 0.1270921039	-0.328685
+H	 0.9457775287	-2.0031038541	 0.2382492734	 0.290643
+H	-1.5807060852	-1.4186575138	 0.923407517	 0.089664
+H	-0.9232712596	-1.4219943873	-2.0607618957	 0.117459
+H	-1.8819834871	-2.660193173	-1.2745621276	 0.124328
+H	-3.8016622927	-1.2973107203	-1.5192729333	 0.095294
+H	-3.8671367831	 1.068285088	-1.4864347872	 0.093404
+H	-1.019314792	 1.3815829736	-2.0333524	 0.126054
+H	-2.0387530096	 2.5204864324	-1.1801549083	 0.114372
+H	-0.1989849572	 2.0427583096	 0.2831690201	 0.123925
+H	-1.6197393628	 1.2212809845	 0.967010211	 0.121476
+19
+0 4346	2.6886262	1.3042425	0.9436672	4.7659	76.31	-0.23164	-0.06889	0.16275	1251.7999	0.156488	-422.604523	-422.595655	-422.594711	-422.638428	32.734
+C	-2.82749511	 2.5308727801	 0.9815486128	-0.404363
+C	-1.9205612196	 1.2984813844	 1.0514445366	 0.019842
+C	-2.7290002554	-0.0055643858	 1.1301859807	-0.207442
+C	-1.8245457386	-1.243469757	 1.2684009931	-0.326812
+C	-0.7672330599	-1.3186925909	 0.1807952037	 0.316451
+O	-0.4600136275	-2.3293168664	-0.3990831214	-0.28039
+C	-0.061389847	 0.0259368585	-0.1516968649	 0.298777
+O	 1.119929301	 0.0507281051	-0.3892086742	-0.278808
+C	-0.9577930282	 1.2509456867	-0.1544904085	-0.309824
+H	-3.4839751682	 2.5865271114	 1.8557467757	 0.118539
+H	-2.2405195402	 3.4538258854	 0.9425993195	 0.121589
+H	-3.4613865394	 2.5007434157	 0.0876703364	 0.119066
+H	-1.3117889053	 1.373303258	 1.9644564753	 0.085525
+H	-3.4205795451	 0.0330702385	 1.9785947954	 0.108502
+H	-3.3494077962	-0.1008554481	 0.2285601576	 0.107857
+H	-1.2851615814	-1.1845897585	 2.2262765497	 0.131526
+H	-2.3886841737	-2.1798869794	 1.2718804935	 0.128218
+H	-0.3272627935	 2.1422990921	-0.220387735	 0.125129
+H	-1.5586937318	 1.2062485604	-1.0768770059	 0.126617
+19
+0 4347	2.5582121	1.3939035	1.0136259	1.4941	79.11	-0.24381	-0.05618	0.18763	1200.4601	0.156946	-422.60131	-422.592269	-422.591325	-422.635033	33.552
+C	 1.2488773307	 0.7621852059	 0.1060561767	-0.475347
+C	-0.1223731864	 0.1469079016	 0.0920386596	 0.211337
+C	-0.3429431031	-1.1751371121	 0.1857266742	-0.187237
+C	-1.7057108989	-1.8200804613	 0.1841136687	 0.096398
+O	-2.0416579368	-2.2567339022	 1.5073981306	-0.4354
+C	-2.7725501523	-0.9034727766	-0.4250736335	-0.240293
+C	-2.6677457196	 0.5222668916	 0.1240412028	-0.325855
+C	-1.2678347127	 1.0992565846	-0.03174768	 0.327588
+O	-1.0766082047	 2.2863548936	-0.2055613017	-0.315949
+H	 1.3469039208	 1.4784711652	 0.9284207456	 0.1397
+H	 2.0254163634	-0.0000827053	 0.2039704529	 0.116569
+H	 1.4228814153	 1.33160377	-0.8124073817	 0.145735
+H	 0.500749336	-1.8499536161	 0.3199782677	 0.103048
+H	-1.6626154706	-2.7480641152	-0.3969056137	 0.093382
+H	-1.8396890589	-1.5370288558	 2.1146497704	 0.280841
+H	-2.6360679432	-0.8855948484	-1.5132504846	 0.107704
+H	-3.7603692517	-1.3291678924	-0.2266379313	 0.112426
+H	-3.3755145847	 1.2077987964	-0.3477701927	 0.126288
+H	-2.9008465126	 0.5264644967	 1.1988288601	 0.119062
+19
+0 4348	2.5376052	1.4657499	1.0923625	4.4601	78.93	-0.26134	-0.03882	0.22252000000000002	1169.0925	0.157092	-422.610662	-422.601766	-422.600821	-422.644117	32.872
+C	-3.1638666286	 0.9446891319	 1.0216041999	-0.39301
+C	-2.4530230477	 0.5710442803	-0.293566573	-0.056837
+C	-2.4441370742	-0.9316789189	-0.5619229947	-0.091058
+O	-1.5392883628	-1.6357677563	 0.3003105357	-0.234483
+C	-0.2717357888	-1.1627684331	 0.4305580016	 0.379947
+O	 0.5664548326	-1.8584546809	 0.9454332369	-0.333301
+C	-0.0027157228	 0.2370750803	-0.0134335991	 0.154575
+C	 1.4385508171	 0.6582354384	 0.0102139274	-0.473541
+C	-1.0257751076	 1.0479117828	-0.3096527112	-0.158063
+H	-2.7090693386	 0.4210806915	 1.8671728257	 0.139398
+H	-3.0957123385	 2.0197264739	 1.2128287345	 0.121096
+H	-4.2239402375	 0.6743071054	 0.9784243981	 0.119546
+H	-2.9940197867	 1.0444427524	-1.1233496393	 0.089522
+H	-3.4224108796	-1.3843805855	-0.3818127152	 0.119433
+H	-2.1588191608	-1.124665104	-1.6040795235	 0.112035
+H	 1.8679043714	 0.5086547094	 1.0053219591	 0.149351
+H	 2.0354981366	 0.0482415141	-0.6759696102	 0.139901
+H	 1.5445468842	 1.7085405896	-0.2725628482	 0.114755
+H	-0.8396586777	 2.0963162586	-0.5344779246	 0.100734
+19
+0 4349	2.7531239	1.3557755	0.9548312	3.106	80.35	-0.23275	-0.05169	0.18106	1246.985	0.155829	-422.58894	-422.579819	-422.578874	-422.622795	33.435
+C	-1.5520354924	-3.1538304007	-0.8943320188	-0.401742
+C	-1.2147886411	-1.9364463208	-0.036647737	 0.087172
+O	-2.3833444841	-1.1355158099	 0.0227085983	-0.255168
+C	-2.1821779578	 0.1049835324	 0.6642755578	-0.190075
+C	-1.0809333952	 0.9394721599	 0.0159596307	 0.30388
+O	-1.0794803119	 2.151876859	 0.0886241074	-0.31592
+C	 0.0174924126	 0.1723710903	-0.6213381495	 0.187009
+C	 1.153417797	 0.9600521372	-1.2085127491	-0.477537
+C	-0.0377116732	-1.1673001877	-0.5767161711	-0.153075
+H	-2.4204788509	-3.6695776375	-0.4776634887	 0.132112
+H	-1.7881003643	-2.8433797059	-1.9159130047	 0.132435
+H	-0.7096556355	-3.8508747012	-0.922574511	 0.118317
+H	-0.9600175608	-2.2860741771	 0.9844964685	 0.081525
+H	-3.123128405	 0.6573559271	 0.6176553732	 0.13657
+H	-1.9226069188	-0.0310865802	 1.7307931688	 0.108606
+H	 1.5835716754	 1.6360762762	-0.4628917833	 0.143099
+H	 1.9377851933	 0.3015801302	-1.5897833251	 0.115692
+H	 0.7992876908	 1.5946891304	-2.0277578047	 0.143257
+H	 0.7967117917	-1.7621002118	-0.9451486717	 0.103843
+19
+0 4350	2.0862481	1.8519268	1.2313514	3.5804	75.11	-0.23805	-0.03232	0.20573000000000002	1075.9968	0.156497	-422.569647	-422.561081	-422.560137	-422.602855	32.22
+C	-3.4751583993	-0.8977726397	 0.2065605217	-0.391441
+C	-2.281228419	-0.8065964534	-0.7543580219	-0.113008
+C	-1.9314116264	 0.6551637577	-1.1482235322	-0.23706
+C	-1.0052311036	 1.1748176935	-0.0300920595	-0.332464
+C	-0.2655033342	-0.0646566796	 0.4667505236	 0.349039
+O	 0.7202600277	-0.1037224517	 1.156233309	-0.315443
+C	-0.9943726432	-1.2788811737	-0.0892261905	 0.358865
+C	-0.2019012076	-2.4561473645	-0.4973855074	-0.23639
+O	-0.9755125588	-2.4689587508	 0.6944601751	-0.271859
+H	-3.3305033231	-0.27364831	 1.0952896348	 0.118632
+H	-4.3927497136	-0.5670658214	-0.2894087939	 0.115119
+H	-3.6127889772	-1.9268734904	 0.5474223933	 0.137942
+H	-2.5027325823	-1.402593223	-1.6447751529	 0.078745
+H	-1.3940257028	 0.6615671171	-2.1025958165	 0.108275
+H	-2.8272023391	 1.2678379719	-1.276355902	 0.107546
+H	-0.3070952843	 1.9562691805	-0.3380230981	 0.13108
+H	-1.5798353098	 1.576396483	 0.8142495521	 0.139331
+H	-0.5726379911	-3.079126241	-1.3107281703	 0.118327
+H	 0.8762012977	-2.4418254044	-0.3477288643	 0.134764
+19
+0 4351	2.1036424	1.8608194	1.2577043	4.3461	74.98	-0.26267	0.0142	0.27687	1065.9341	0.157797	-422.596741	-422.588375	-422.587431	-422.629647	31.622
+C	-2.9946933588	-1.0896399237	-1.4849423979	-0.394858
+C	-2.2928208192	-0.8187647107	-0.1482517464	-0.121801
+C	-2.1381821398	 0.6951810998	 0.1207673437	-0.09286
+O	-0.8430642904	 1.0699904068	-0.383236618	-0.232594
+C	-0.033050711	-0.0206365348	-0.4708270515	 0.41793
+O	 1.128039022	 0.0564397399	-0.7613234149	-0.364587
+C	-0.8315349245	-1.244811819	-0.1414639545	 0.19269
+C	-0.2912284482	-2.5843324549	-0.5690930088	-0.309891
+C	-0.2116831097	-2.1927048816	 0.8739367029	-0.30751
+H	-3.0269107901	-2.1599988487	-1.7074364433	 0.120928
+H	-4.0247442853	-0.7191667607	-1.4640102115	 0.117133
+H	-2.4731108165	-0.5922293419	-2.3095879289	 0.132893
+H	-2.8569314531	-1.2885667551	 0.6629464333	 0.084215
+H	-2.8828299017	 1.3023767858	-0.3990693166	 0.121299
+H	-2.1740103659	 0.9290267051	 1.1909015482	 0.115492
+H	-1.0096282812	-3.3438125149	-0.857126756	 0.118731
+H	 0.6246572525	-2.5651494872	-1.1492879126	 0.143725
+H	-0.8867723452	-2.6676822922	 1.577898317	 0.119192
+H	 0.757543446	-1.9175407418	 1.2740554157	 0.139872
+19
+0 4352	2.1439327	1.8161229	1.2276564	2.2245	75.71	-0.24184	-0.02245	0.21939	1075.6678	0.156453	-422.569112	-422.560513	-422.559569	-422.602402	32.285
+C	-2.8068018552	-0.8985078726	-1.5192077364	-0.391735
+C	-2.2166144241	-0.7189069015	-0.1203575708	 0.004714
+O	-2.140206853	 0.6811176432	 0.220395889	-0.267683
+C	-0.8579003183	 1.185070062	-0.0987898986	-0.191998
+C	 0.0874760157	-0.015093944	-0.0842803095	 0.311373
+O	 1.2921620737	 0.0085935925	-0.1440057798	-0.329705
+C	-0.7874489477	-1.2221020883	 0.0283966141	 0.235597
+C	-0.353478704	-2.2845882199	 1.0286953756	-0.296757
+C	-0.2525835471	-2.5550818895	-0.436595633	-0.305787
+H	-2.9517470275	-1.9588949544	-1.7490328508	 0.116129
+H	-3.7763953144	-0.3970342249	-1.579381851	 0.128024
+H	-2.1491472498	-0.4747530986	-2.2853426204	 0.118522
+H	-2.8863406136	-1.1690966652	 0.6200245286	 0.089692
+H	-0.8258709581	 1.6608988036	-1.0925975672	 0.11995
+H	-0.5629153103	 1.9342158423	 0.6426099635	 0.137714
+H	 0.5627440182	-2.0873758533	 1.5745099008	 0.137869
+H	-1.1396764358	-2.7710517253	 1.5964097512	 0.123177
+H	 0.7340377239	-2.5364236487	-0.8878266293	 0.139189
+H	-0.9574024225	-3.2466085776	-0.8851133961	 0.121715
+19
+0 4353	2.0994159	1.8300853	1.2089219	1.3826	75.57	-0.24122	-0.02053	0.22069	1075.6861	0.156991	-422.583144	-422.574488	-422.573544	-422.61647	32.695
+O	-2.0359328331	-1.2795053278	-2.1465036858	-0.431227
+C	-2.2330637913	-0.7999537437	-0.8185613036	 0.022187
+C	-2.2526830775	 0.7493046717	-0.7382491032	-0.243519
+C	-0.7941627397	 1.1641364052	-0.4820292032	-0.340765
+C	-0.20046203	-0.0055153307	 0.3098953424	 0.348916
+O	 0.8139602364	 0.0108395447	 0.9658353272	-0.340381
+C	-1.1068413557	-1.1873319892	 0.1301790129	 0.210332
+C	-1.3059998869	-2.1039663463	 1.3320039759	-0.300103
+C	-0.5061628343	-2.5808404856	 0.171356603	-0.30214
+H	-1.1182741787	-1.1232954361	-2.3934332454	 0.27973
+H	-3.1956209256	-1.2223739224	-0.518611867	 0.086958
+H	-2.6826835099	 1.1740474883	-1.6473165158	 0.11316
+H	-2.8788723068	 1.056658363	 0.106662372	 0.109217
+H	-0.2280247257	 1.2540601219	-1.4191230509	 0.126879
+H	-0.6663008	 2.1070294258	 0.0533513423	 0.131325
+H	-0.7729431512	-1.8216530092	 2.2334465734	 0.137276
+H	-2.3037062392	-2.5026993646	 1.4797952689	 0.123113
+H	 0.5714152684	-2.62752393	 0.2873838283	 0.136256
+H	-0.9434891592	-3.3063176151	-0.5051484315	 0.132787
+19
+0 4354	1.923847	1.67995	1.0086748	2.809	76.24	-0.24651	-0.03502	0.21149	1200.1556	0.155608	-422.606725	-422.597652	-422.596708	-422.641016	32.926
+C	-3.4353206296	-1.5654283809	 0.6473163403	-0.41732
+C	-2.1062203066	-0.8423678469	 0.8514294463	 0.028579
+C	-2.1875000934	 0.6972239889	 0.7246358347	-0.236254
+C	-0.7371429711	 1.1485086664	 0.5053872562	-0.323696
+C	-0.0942915453	 0.0097018266	-0.2837127425	 0.383774
+O	 0.9331412628	 0.0466884887	-0.9076672413	-0.312064
+C	-1.0079183141	-1.2332629572	-0.1484280798	-0.201507
+C	-0.2005011788	-2.4698996892	 0.1898905247	 0.14402
+O	-0.4383119416	-3.1946622264	 1.1220735132	-0.242878
+H	-4.1820811857	-1.2236519675	 1.3715146228	 0.116901
+H	-3.8359250011	-1.3796216622	-0.3565669871	 0.110157
+H	-3.3135936652	-2.6447687846	 0.7734932396	 0.136587
+H	-1.7299865218	-1.0901432538	 1.8521167361	 0.097108
+H	-2.7973762473	 0.9632497304	-0.1481052531	 0.104478
+H	-2.6543864538	 1.1592563705	 1.5981666892	 0.108654
+H	-0.6088622641	 2.1022332243	-0.0111784767	 0.13235
+H	-0.1988677968	 1.2226868317	 1.4604301974	 0.138222
+H	-1.4183418334	-1.3977846358	-1.1582018204	 0.124317
+H	 0.6558897869	-2.653970083	-0.4912567896	 0.108573
+19
+0 4355	2.7192973	1.405312	1.1160522	3.232	75.33	-0.24403	-0.02668	0.21735	1142.6108	0.157574	-422.574871	-422.566644	-422.5657	-422.607672	31.398
+C	-3.4732044231	 0.0742789132	-2.5217394506	-0.412217
+C	-2.8456635191	-0.1022273372	-1.1329689379	 0.006399
+C	-1.8634000538	-1.2914007881	-1.1141505673	-0.219784
+C	-0.9093455631	-1.2826402521	 0.0977468877	-0.329603
+C	-0.0522372868	-0.0325309961	 0.0374002062	 0.404215
+O	 1.1573523686	-0.0321487407	 0.0288347916	-0.317396
+C	-0.8315090768	 1.2466408819	-0.0825379729	-0.072664
+O	-2.0034387636	 1.3236078389	 0.7443426386	-0.247887
+C	-2.2009018075	 1.1969140893	-0.6577146472	 0.047954
+H	-3.9512740451	-0.8527013233	-2.8524255509	 0.121885
+H	-4.2337389675	 0.8616534611	-2.520166182	 0.120266
+H	-2.7141500356	 0.3402754644	-3.2661991409	 0.122962
+H	-3.6493723154	-0.3089382703	-0.413263276	 0.09764
+H	-2.4257976925	-2.230690214	-1.1388780605	 0.107744
+H	-1.260851382	-1.2690795647	-2.0321403114	 0.109677
+H	-1.4872065818	-1.2757291777	 1.0289765289	 0.132885
+H	-0.250587376	-2.1534869077	 0.0978461776	 0.120383
+H	-0.2351587641	 2.1546282916	-0.1455854563	 0.107212
+H	-2.5652591949	 2.1103378916	-1.1310017366	 0.100329
+19
+0 4356	2.3816185	1.6306044	1.2900244	4.735	75.05	-0.25547	0.01297	0.26843999999999996	1061.1121	0.158644	-422.591958	-422.583924	-422.58298	-422.624382	30.963
+C	-3.6856347837	-0.6205521918	 0.1658666476	-0.394551
+C	-2.8213249048	-0.2093244703	-1.0353109371	-0.030021
+C	-1.6918024468	-1.2113625814	-1.2930488159	-0.089641
+O	-0.6669124032	-1.1988440965	-0.2881431539	-0.23745
+C	-0.21423211	-0.0328282574	 0.2477033813	 0.420514
+O	 0.6767335787	-0.0727766663	 1.0540161994	-0.340258
+C	-0.8878358127	 1.2366085077	-0.1516092002	-0.149474
+C	-1.0469396349	 1.6375735251	-1.6121362871	-0.326367
+C	-2.2414213211	 1.179043346	-0.8350023316	-0.018719
+H	-4.1557813616	-1.5942257105	-0.0041060386	 0.117098
+H	-3.0858617045	-0.6906054808	 1.0782383537	 0.138255
+H	-4.4806583196	 0.1106530759	 0.3421662051	 0.11726
+H	-3.4475533568	-0.2127084144	-1.9378980683	 0.086608
+H	-2.0789215491	-2.2336272223	-1.287023065	 0.12228
+H	-1.2310270112	-1.0428430315	-2.2730252864	 0.113512
+H	-0.6752732671	 2.033750856	 0.5493223631	 0.117961
+H	-0.9505300184	 2.6969917933	-1.8195364639	 0.127314
+H	-0.6238834792	 1.0019361976	-2.3803281464	 0.129183
+H	-2.957902994	 1.9405629619	-0.5416775161	 0.096497
+19
+0 4357	3.0827672	1.4117469	1.0976152	3.0358	76.07	-0.23119	-0.01495	0.21624000000000002	1128.0802	0.1574	-422.572558	-422.564343	-422.563399	-422.605212	31.57
+C	-3.7449150529	-0.166928156	-2.1481373541	-0.397475
+C	-2.748681387	-0.1701025165	-0.996660284	 0.102489
+O	-1.6678883807	-1.0160655635	-1.380418723	-0.25872
+C	-0.7402236714	-1.2512155208	-0.3404260235	-0.185714
+C	-0.1918320147	 0.0055963436	 0.3417972807	 0.364325
+O	 0.6933739582	-0.0856113036	 1.1635378357	-0.325856
+C	-0.8632036367	 1.2891887991	 0.0135249626	-0.146462
+C	-1.0514443173	 1.7233834968	-1.4411572094	-0.293886
+C	-2.2233253617	 1.2196524162	-0.6672786802	-0.032531
+H	-4.0788470131	-1.1856481202	-2.3610206698	 0.126829
+H	-4.6184480002	 0.4421597037	-1.8973517288	 0.116695
+H	-3.282851021	 0.2431455903	-3.0506968586	 0.12863
+H	-3.2330398523	-0.5907541534	-0.0975883412	 0.07053
+H	-1.1846408372	-1.8722415076	 0.4566785842	 0.121104
+H	 0.0908198383	-1.8174248251	-0.7695469802	 0.140062
+H	-0.6691290212	 2.0767224898	 0.7328606362	 0.10802
+H	-0.961938212	 2.7871226649	-1.627128426	 0.124007
+H	-0.6461811143	 1.0830250222	-2.2148195958	 0.140882
+H	-2.9704052229	 1.9330314701	-0.3326406249	 0.097071
+19
+0 4358	2.439991	1.5497181	1.2164852	3.8864	75.17	-0.23249	-0.0085	0.22399	1080.894	0.158255	-422.583016	-422.574895	-422.573951	-422.615642	31.656
+O	-3.5918138355	-0.3843566551	 0.4913780635	-0.435391
+C	-2.9464742245	-0.1254043209	-0.7561108903	 0.102805
+C	-1.9628841502	-1.2507279176	-1.1137690536	-0.275267
+C	-0.8189626257	-1.3424633911	-0.0965329389	-0.289161
+C	-0.0939845468	-0.0305400509	 0.1953491309	 0.39011
+O	 1.0023114398	-0.0212142019	 0.7103016759	-0.330986
+C	-0.8249560865	 1.242427146	-0.09160954	-0.110357
+C	-1.164365653	 1.6178753668	-1.5316028141	-0.312145
+C	-2.2564151965	 1.2116084167	-0.5939461921	-0.016809
+H	-4.1223978057	-1.1813798876	 0.3903868049	 0.283036
+H	-3.6997540103	-0.0390070202	-1.5551770186	 0.068834
+H	-2.509634931	-2.2011357888	-1.1460941689	 0.093352
+H	-1.5775499934	-1.0961437036	-2.1277649848	 0.108571
+H	-1.2391772667	-1.6466532719	 0.8711003108	 0.141702
+H	-0.0769694786	-2.0967087069	-0.3699537743	 0.121219
+H	-0.5115525777	 2.061691849	 0.5454801182	 0.108421
+H	-1.0667965254	 2.6667022349	-1.7867741195	 0.125913
+H	-0.8670286849	 0.9439184225	-2.32645245	 0.123971
+H	-2.9121566375	 1.9926895205	-0.2229145989	 0.102182
+19
+0 4359	2.4237224	1.4194182	1.0149755	2.4292	79.95	-0.23908	-0.05311	0.18597	1200.4563	0.157028	-422.602324	-422.593393	-422.592449	-422.635821	33.424
+C	 1.2375348504	 0.4697607694	-0.6037007554	-0.482125
+C	-0.1495383521	 0.0562370954	-0.2106642208	 0.289253
+C	-1.1977678806	 0.8976789261	-0.2292900919	-0.254813
+C	-2.5818232129	 0.5033846947	 0.1072329743	 0.380908
+O	-3.4845065835	 1.3169002213	 0.1337075328	-0.33147
+C	-2.8184784647	-0.9785782697	 0.3715037855	-0.330745
+C	-1.5888886703	-1.6597149556	 0.9815907537	-0.243184
+C	-0.3246213393	-1.408572083	 0.1536849705	 0.048613
+O	-0.2683871084	-2.205921996	-1.035314839	-0.43509
+H	 1.9223990599	 0.3823057891	 0.2495307982	 0.136399
+H	 1.619686215	-0.2024599666	-1.3802559614	 0.15027
+H	 1.2727070168	 1.4974562563	-0.9717829439	 0.129647
+H	-1.0742574419	 1.9413305439	-0.5074061444	 0.101426
+H	-3.7063752623	-1.0808185353	 0.9997149784	 0.126947
+H	-3.0694102122	-1.4440498959	-0.592881855	 0.117232
+H	-1.4219564879	-1.2687003813	 1.9926389321	 0.109461
+H	-1.7415937431	-2.739340599	 1.071126851	 0.112318
+H	 0.5474701782	-1.7379386414	 0.7299556245	 0.091554
+H	-0.9282048311	-1.8657822425	-1.649733349	 0.283399
+19
+0 4360	2.4102278	1.4657033	1.0792999	5.3068	79.17	-0.25709	-0.03925	0.21783999999999998	1174.139	0.157142	-422.612078	-422.603223	-422.602279	-422.645439	32.798
+C	-1.5695770055	-1.5672144545	-1.2277090263	-0.397813
+C	-1.0628644028	-1.0751623279	 0.1425066318	-0.097665
+C	-2.1600741793	-0.3902723604	 0.9555470978	-0.089801
+O	-2.533377287	 0.8820551828	 0.4112930325	-0.239913
+C	-1.5340188125	 1.7582312935	 0.1047394082	 0.417197
+O	-1.8061910565	 2.908571608	-0.1246230262	-0.342229
+C	-0.1654817005	 1.2081981285	 0.0202732528	-0.296368
+C	 0.0929175517	-0.106413986	-0.0014069623	 0.306065
+C	 1.4708145436	-0.6667962386	-0.1899469906	-0.484754
+H	-2.3403325932	-2.3333789648	-1.0970818362	 0.121722
+H	-2.0021273056	-0.7400133602	-1.7969244874	 0.143952
+H	-0.761351168	-2.0034016197	-1.8214638983	 0.121136
+H	-0.7239500385	-1.9457148616	 0.7196250285	 0.085361
+H	-3.0798634866	-0.9806756544	 0.9663223337	 0.118718
+H	-1.8267705862	-0.2490085824	 1.9919586658	 0.110692
+H	 0.611637585	 1.9536473866	-0.1071985358	 0.112565
+H	 1.767174769	-1.2645738098	 0.6812056389	 0.136575
+H	 1.5060990276	-1.3408531506	-1.0544760068	 0.139054
+H	 2.2127736152	 0.1210544715	-0.3381437398	 0.135505
+19
+0 4361	2.6967301	1.3732692	0.9566806	4.0042	80.96	-0.22986	-0.04993	0.17993	1235.2531	0.156058	-422.588589	-422.579634	-422.57869	-422.622158	33.274
+C	-1.1615928756	-1.8945967155	-1.7208811358	-0.40863
+C	-0.9483446152	-0.9474840168	-0.5403144469	 0.046659
+O	-2.235145358	-0.4713656868	-0.1892331396	-0.253152
+C	-2.2406505691	 0.5026913655	 0.8333140706	-0.19554
+C	-1.3826602921	 1.7150580312	 0.4867985212	 0.356524
+O	-1.6032725602	 2.8112672822	 0.9617187849	-0.327481
+C	-0.235596602	 1.4244286266	-0.3832245322	-0.270206
+C	 0.026083133	 0.1831599256	-0.8268488536	 0.30421
+C	 1.2893066168	-0.1486321924	-1.5678200389	-0.483894
+H	-1.9196195279	-2.6323957692	-1.4486001636	 0.134943
+H	-1.5178903301	-1.3417854077	-2.5948382354	 0.132063
+H	-0.2417637763	-2.4217892316	-1.9832856612	 0.120388
+H	-0.5285421893	-1.5314554832	 0.3042362908	 0.081566
+H	-3.2757735056	 0.8185943877	 0.9788931863	 0.136143
+H	-1.8754321439	 0.0841673253	 1.7893070841	 0.107864
+H	 0.437458775	 2.2536829422	-0.5829707039	 0.101968
+H	 1.8189771554	-0.9799098469	-1.0856685784	 0.137147
+H	 1.0794795712	-0.4667709952	-2.5953460058	 0.144211
+H	 1.961817124	 0.7110573591	-1.6040648027	 0.135216
+19
+0 4362	2.9657538	1.2811228	0.9464304	3.5614	79.86	-0.23562	-0.0533	0.18231999999999998	1244.8945	0.156968	-422.577781	-422.569133	-422.568189	-422.611314	32.295
+C	-3.464120565	 1.3977541007	 2.5324606589	-0.394345
+C	-2.5761268441	 0.6427054583	 1.548960725	 0.105457
+C	-2.3984301044	-0.823410624	 1.9460349723	-0.246362
+C	-1.4809475443	-1.6440047383	 1.0917860846	-0.045572
+C	-0.6143163856	-1.2818866851	 0.1353278262	-0.138567
+C	-0.2642601693	 0.0511936503	-0.4049731471	 0.320288
+O	 0.4139480613	 0.1324471815	-1.4120729537	-0.323349
+C	-0.7051827204	 1.3610330205	 0.2582163635	-0.188794
+O	-1.309006236	 1.2891576801	 1.5228515496	-0.248865
+H	-4.449169418	 0.927787595	 2.6126404686	 0.114746
+H	-3.0028328152	 1.4094091675	 3.5249160208	 0.128251
+H	-3.5972022218	 2.4323797212	 2.2066597161	 0.124538
+H	-3.0275449349	 0.6876546386	 0.5449945497	 0.075269
+H	-2.0277751219	-0.8649282465	 2.9816501075	 0.128815
+H	-3.3804592772	-1.3159662598	 1.9707819442	 0.113268
+H	-1.5450548662	-2.7128814509	 1.2942714506	 0.10829
+H	-0.0672505382	-2.0645695611	-0.3846364939	 0.108092
+H	 0.1962344543	 1.9707164104	 0.3715099011	 0.140577
+H	-1.3522024631	 1.8798011417	-0.4688973538	 0.118261
+19
+0 4363	3.0186442	1.2625449	0.9497762	5.1173	79.07	-0.25868	-0.03794	0.22074000000000002	1245.9671	0.157908	-422.596567	-422.588064	-422.58712	-422.629794	31.859
+C	-3.1438027952	-1.541340838	 2.8549086268	-0.408765
+C	-2.3900118745	-0.8155280653	 1.7328793527	-0.000649
+C	-0.9530585837	-1.3343790818	 1.6072592713	-0.082607
+O	-0.4528310066	-1.2900601739	 0.2697977143	-0.227704
+C	-0.2223603193	-0.1280418115	-0.3865733344	 0.383458
+O	 0.3043207932	-0.1800909154	-1.4704427395	-0.335406
+C	-0.5949502263	 1.1878589178	 0.1985773105	-0.174916
+C	-1.4982127909	 1.5353341723	 1.1217749499	-0.059869
+C	-2.410848725	 0.6993413774	 1.9648633468	-0.260482
+H	-3.2264617436	-2.6125959976	 2.6486352388	 0.123668
+H	-2.6305480323	-1.422218178	 3.8165728838	 0.119624
+H	-4.1560576379	-1.1413361913	 2.9701434413	 0.121312
+H	-2.8829593803	-1.0389219502	 0.7786368741	 0.100237
+H	-0.2774464803	-0.79278322	 2.2824369464	 0.112366
+H	-0.9053149417	-2.395032155	 1.8654634211	 0.120606
+H	-0.0623400941	 1.9805084858	-0.3175198915	 0.120949
+H	-1.5987598454	 2.6047151094	 1.3054682447	 0.108476
+H	-2.1604416824	 0.9057923628	 3.0181285362	 0.118099
+H	-3.4351860336	 1.0801215624	 1.8474005168	 0.121602
+19
+0 4364	3.0455951	1.1802435	0.884828	2.8624	79.31	-0.24045	-0.05014	0.19031	1281.6306	0.157772	-422.588077	-422.579447	-422.578503	-422.621705	32.438
+O	-3.2965573815	-1.1134138028	-2.8596533027	-0.436144
+C	-2.6453003395	-0.6543864463	-1.6788059024	 0.110863
+C	-1.3896921916	-1.4768255468	-1.3732192246	-0.23824
+C	-0.8961207515	-1.3493481474	 0.071789841	-0.311161
+C	-0.2747418905	-0.0307668203	 0.5147973656	 0.360394
+O	 0.6363720077	-0.0478369915	 1.3229104025	-0.324429
+C	-0.7652965059	 1.2857923234	 0.041013046	-0.144718
+C	-1.6045164405	 1.6261188436	-0.9473110348	-0.052602
+C	-2.3707069831	 0.8211610961	-1.9523063341	-0.241539
+H	-3.5436529056	-2.0339662966	-2.7271749879	 0.282367
+H	-3.3293721827	-0.7336514368	-0.816402123	 0.068641
+H	-1.6320216277	-2.5332314972	-1.5459384567	 0.092815
+H	-0.5966318832	-1.2246457447	-2.0876000612	 0.111192
+H	-1.7396654471	-1.5359616414	 0.7533964893	 0.122798
+H	-0.1504209311	-2.1164515464	 0.2948897352	 0.1257
+H	-0.2907297398	 2.0900331715	 0.5978695582	 0.105865
+H	-1.7335124369	 2.6982544034	-1.0943531209	 0.10954
+H	-3.3330630787	 1.3148779971	-2.1326519041	 0.123281
+H	-1.8401225909	 0.8852647732	-2.9150245055	 0.135376
+19
+0 4365	2.7376182	1.3324591	0.9766557	3.6543	76.63	-0.24588	-0.03517	0.21070999999999998	1216.9756	0.156596	-422.617426	-422.608636	-422.607691	-422.65112	32.635
+C	 0.0673933115	 2.532341173	-0.0729229694	-0.401391
+C	-0.8312738435	 1.297775606	-0.0415166819	-0.079195
+C	-1.7952612372	 1.2265708918	-1.2472756882	-0.218325
+C	-2.7186111774	-0.0037403288	-1.202391895	-0.309241
+C	-1.9171758926	-1.2913890097	-1.0892144914	 0.384196
+O	-2.0854359373	-2.2458228172	-1.8065502837	-0.293451
+C	-0.8539465422	-1.2827919118	 0.011306577	-0.390797
+C	-0.0239450724	 0.0016968309	 0.0258424413	 0.374011
+O	 1.1818151626	-0.0251676113	 0.0705544256	-0.296889
+H	 0.7381051964	 2.5500841892	 0.7888974883	 0.132195
+H	 0.692077448	 2.5357123873	-0.9708628184	 0.130857
+H	-0.5344553704	 3.4459992132	-0.0675160569	 0.110042
+H	-1.45245164	 1.3197111503	 0.8683513662	 0.092196
+H	-2.4012248118	 2.137340748	-1.2752086432	 0.115327
+H	-1.2089530399	 1.2126907996	-2.175146674	 0.12059
+H	-3.3719942552	 0.0668055601	-0.3208893879	 0.118805
+H	-3.3561345951	-0.0682544362	-2.0866711333	 0.127286
+H	-1.3895348378	-1.3325540667	 0.9709334178	 0.139929
+H	-0.2059269355	-2.1551222478	-0.0755078928	 0.143855
+19
+0 4366	3.0993014	1.2532899	0.952387	4.3628	77.72	-0.24437	-0.00296	0.24141	1241.8186	0.157113	-422.588255	-422.579455	-422.578511	-422.62219	32.383
+C	-3.7787481025	-1.3810287423	 2.18929737	-0.416938
+C	-2.7207418393	-0.6470407633	 1.353900639	-0.051368
+C	-1.4237453677	-1.465288651	 1.3468229932	-0.039837
+O	-0.417636049	-1.1444744339	 0.3727505685	-0.240967
+C	 0.0005188077	 0.0730735823	-0.0526861263	 0.393797
+O	 1.0950737761	 0.1556376522	-0.5409043826	-0.30538
+C	-0.9595110886	 1.2619050507	-0.044774215	-0.377708
+C	-1.6438085593	 1.5937379745	 1.2591561676	-0.095651
+C	-2.4611125878	 0.7475230942	 1.877169774	-0.041447
+H	-3.435819729	-1.5241535242	 3.2204812916	 0.12447
+H	-4.7069562569	-0.8034643494	 2.2259858375	 0.12618
+H	-4.0085307021	-2.3650759451	 1.7704229069	 0.121567
+H	-3.0817762731	-0.5855338625	 0.3162841881	 0.095035
+H	-0.9589847543	-1.4144907494	 2.3397540389	 0.115153
+H	-1.6511658266	-2.5147555494	 1.135274974	 0.117232
+H	-0.3718942389	 2.1045582153	-0.4084413616	 0.137346
+H	-1.7176992389	 1.0465705637	-0.813029579	 0.139784
+H	-1.4571144811	 2.579771699	 1.6734028568	 0.10596
+H	-2.9464130087	 1.0344275184	 2.8068334886	 0.09277
+19
+0 4367	3.1336433	1.2773766	1.0151538	2.5816	78.16	-0.23162	-0.01513	0.21649	1200.2613	0.156669	-422.577387	-422.568739	-422.567795	-422.610904	32.449
+C	-4.0109835077	-1.0592105921	-1.8752218133	-0.39488
+C	-2.5070750884	-0.7926651258	-1.7892101606	 0.07305
+O	-2.0868667557	-1.2444379257	-0.5083831534	-0.246591
+C	-0.693235217	-1.2967006706	-0.3231999649	-0.183451
+C	-0.060865294	 0.0428869677	 0.0761036614	 0.359828
+O	 1.1179491545	 0.1215340323	 0.3159346075	-0.297492
+C	-1.0197443523	 1.2280141022	 0.1370906495	-0.344117
+C	-1.581502545	 1.5208266642	-1.240510623	-0.106473
+C	-2.1828850263	 0.6555883555	-2.0568438661	-0.033088
+H	-4.5394436325	-0.4848044493	-1.1093658187	 0.130447
+H	-4.3975224501	-0.7684551646	-2.8559835435	 0.118241
+H	-4.2126055279	-2.1219016792	-1.7188409386	 0.126384
+H	-2.0028831448	-1.4046034197	-2.5613400073	 0.077858
+H	-0.4993123768	-2.0022362933	 0.4924945616	 0.139355
+H	-0.1702862834	-1.678759587	-1.2136298873	 0.123226
+H	-1.8257290589	 0.986639574	 0.8396584762	 0.138921
+H	-0.4667093478	 2.0861078925	 0.5220341614	 0.121385
+H	-1.426054859	 2.5346113616	-1.5989954839	 0.104355
+H	-2.502798617	 1.0056862771	-3.0369057571	 0.09304
+19
+0 4368	2.4805611	1.398603	1.1163027	2.1503	77.05	-0.23948	-0.01828	0.2212	1144.7288	0.157496	-422.586761	-422.578125	-422.577181	-422.620448	32.655
+O	-1.4131618825	-1.367989267	 3.2488881487	-0.437808
+C	-2.1634056472	-0.7575170054	 2.1911467434	 0.095763
+C	-1.842355321	-1.4052230341	 0.8372111509	-0.242598
+C	-0.3910338493	-1.2493747258	 0.3763542497	-0.302855
+C	 0.088192391	 0.1658267716	 0.0513091199	 0.384409
+O	 1.2565945441	 0.3986735448	-0.1423819693	-0.300798
+C	-0.9695239446	 1.2677377899	-0.0193036373	-0.355147
+C	-1.5291988361	 1.5866836215	 1.3526415512	-0.078164
+C	-2.0196488031	 0.7412118383	 2.2620647197	-0.078191
+H	-0.5539221806	-0.9343079027	 3.2839587049	 0.283301
+H	-3.206160891	-1.0049645512	 2.4311572339	 0.093717
+H	-2.0620424201	-2.4734273169	 0.9334836109	 0.11243
+H	-2.5342531075	-1.0134791854	 0.0818110455	 0.101061
+H	 0.2992579671	-1.6716807271	 1.1146874367	 0.131175
+H	-0.2272034623	-1.8355846279	-0.5370799446	 0.134556
+H	-0.491201962	 2.1515580528	-0.4442703661	 0.124707
+H	-1.7705643775	 0.9584181287	-0.7036862731	 0.128152
+H	-1.4926539204	 2.6399400396	 1.6193464042	 0.106385
+H	-2.3501552273	 1.1568424863	 3.212242151	 0.099904
+19
+0 4369	3.4420805	1.0003392	0.808386	3.0398	79.73	-0.24534	-0.0546	0.19074	1410.117	0.155901	-422.591634	-422.582276	-422.581331	-422.626396	33.871
+C	 1.9003500198	 5.1399946867	-1.9028340778	-0.488984
+C	 1.4150860475	 3.8951427187	-1.1824452653	 0.294177
+O	 0.2378657435	 3.7226722381	-0.9375158089	-0.304048
+C	 2.4433049903	 2.8869258314	-0.7922212373	 0.227448
+C	 2.1532963516	 1.7691878706	-0.113835551	-0.194762
+C	 3.3761488073	 0.9365539036	 0.1809191267	 0.116158
+O	 3.2019248196	-0.458534062	-0.0103162538	-0.429593
+C	 4.4602231815	 1.5830705193	-0.7224389732	-0.247043
+C	 3.9355454489	 3.0005937321	-1.0543902483	-0.335358
+H	 2.6614063433	 5.6612286202	-1.311122567	 0.13763
+H	 2.3715727678	 4.8710540877	-2.8554831105	 0.139387
+H	 1.0568472954	 5.805062066	-2.0892188744	 0.141611
+H	 1.1587468386	 1.4935659587	 0.2167872801	 0.128102
+H	 3.6422085963	 1.0274965666	 1.2428932052	 0.103418
+H	 2.8783292453	-0.590607	-0.9087013532	 0.276855
+H	 5.4510252862	 1.5819761647	-0.2632595653	 0.108899
+H	 4.5281217596	 0.9867962907	-1.6398450307	 0.101605
+H	 4.3858350484	 3.7544510867	-0.3945422904	 0.116298
+H	 4.173056509	 3.3106729603	-2.0774999848	 0.108201
+19
+0 4370	3.5416737	1.0233705	0.840768	1.327	80.71	-0.2431	-0.05516	0.18794	1392.3105	0.15489	-422.581767	-422.572229	-422.571285	-422.616889	33.719
+C	 1.0752368411	-4.6287021576	 0.7560308855	-0.390007
+C	 0.6172071236	-3.6270873452	-0.3057429258	 0.100779
+O	-0.8038326946	-3.4505476342	-0.2328318072	-0.283136
+C	-1.1350051921	-2.0703592144	-0.1329517115	-0.177559
+C	 0.1901961582	-1.3497465649	-0.0341813564	 0.195788
+C	 1.1743773675	-2.2449296826	-0.144004532	-0.182089
+C	 0.3908965977	 0.1136671802	 0.1389576349	 0.296168
+C	-0.8578270091	 0.9706665394	 0.2286370813	-0.492195
+O	 1.5039970241	 0.5945823881	 0.205336507	-0.306297
+H	 0.543947657	-5.5751317617	 0.6247750199	 0.131423
+H	 2.1495373789	-4.8197467076	 0.6672266198	 0.117555
+H	 0.8663813155	-4.2472155516	 1.7594839797	 0.123077
+H	 0.8770095109	-4.029512412	-1.3007036972	 0.090464
+H	-1.7146771662	-1.7551209908	-1.0160586035	 0.106569
+H	-1.7776191167	-1.909890981	 0.7458039275	 0.109901
+H	 2.2313580285	-2.0126516654	-0.1227962733	 0.133664
+H	-1.4758190624	 0.6583690907	 1.0787205873	 0.141306
+H	-0.5776510047	 2.0178627149	 0.3440988708	 0.143865
+H	-1.4724194073	 0.8494426458	-0.6711699369	 0.140724
+19
+0 4371	4.4810046	0.9291529	0.8557351	2.2789	80.13	-0.23137	0.00238	0.23374999999999999	1392.9454	0.156239	-422.535728	-422.526915	-422.525971	-422.570006	31.87
+C	-2.0003888601	-1.9421735323	 4.3799588755	-0.387121
+C	-1.1813649132	-0.7347079667	 3.9226949337	 0.110783
+O	 0.2111230901	-1.0717102942	 3.9027391168	-0.282581
+C	 0.7883728707	-0.7510552312	 2.6431625784	-0.165145
+C	-0.3645838862	-0.2919898677	 1.782481041	 0.323748
+C	-1.4709422125	-0.2653545229	 2.5228337348	-0.249034
+C	-0.2244624992	 0.0906291413	 0.3681333792	-0.031795
+C	 0.6904215779	-0.598964637	-0.5634176135	-0.185344
+O	 1.0316454668	 0.672924753	-0.0243650308	-0.231236
+H	-1.6559870039	-2.276813041	 5.3624918156	 0.127508
+H	-3.0613123212	-1.6817506941	 4.4577722167	 0.110549
+H	-1.8920158211	-2.769111475	 3.6720779035	 0.117633
+H	-1.3377399474	 0.0865216765	 4.6441615238	 0.08225
+H	 1.5461861632	 0.0393458848	 2.750742075	 0.119528
+H	 1.3007073913	-1.6373274418	 2.2394681768	 0.102702
+H	-2.4552126772	 0.0498168555	 2.1980134378	 0.101494
+H	-1.0946374182	 0.5811557425	-0.0680644532	 0.095763
+H	 1.2926029443	-1.4358887398	-0.2147518917	 0.119875
+H	 0.4484102557	-0.61191364	-1.6255909095	 0.120423
+19
+0 4372	4.4495112	0.9025107	0.8183415	2.6234	79.7	-0.23694	0.00528	0.24222000000000002	1413.9937	0.156997	-422.54615	-422.537464	-422.53652	-422.579933	32.141
+O	-2.00720697	 0.4928734097	 4.8208998471	-0.436985
+C	-1.4260784548	-0.4680656019	 3.9473202068	 0.101407
+C	 0.1060502784	-0.6352282585	 4.1152954003	-0.254517
+C	 0.6567527504	-0.8258497303	 2.6829903286	-0.32268
+C	-0.4300300104	-0.2129291218	 1.8207229844	 0.362186
+C	-1.5507642632	-0.0108359286	 2.5180177614	-0.204886
+C	-0.2459307121	 0.0879616164	 0.389576842	-0.032328
+C	 0.6375189958	-0.7043463601	-0.4881410219	-0.186506
+O	 1.0498043017	 0.571101565	-0.0135754822	-0.232846
+H	-2.0208898544	 0.1168629241	 5.7065244421	 0.281535
+H	-1.9428276973	-1.4357458286	 4.0765812641	 0.068679
+H	 0.4800399534	 0.3029510371	 4.5371966856	 0.117449
+H	 0.38173173	-1.4470870959	 4.7941360305	 0.089276
+H	 1.6288118712	-0.3510789456	 2.5204349806	 0.124617
+H	 0.78312747	-1.8910675458	 2.4445773254	 0.104284
+H	-2.4755109397	 0.4009575817	 2.1294981961	 0.096731
+H	-1.0757509941	 0.6118206458	-0.0849490398	 0.092744
+H	 1.1814556955	-1.5552547242	-0.0811942942	 0.114654
+H	 0.4119760597	-0.7629884985	-1.5525160468	 0.117185
+19
+0 4373	2.7082764	1.330906	1.0196255	1.0825	76.82	-0.25833	0.02905	0.28738	1195.5986	0.155883	-422.529343	-422.520096	-422.519152	-422.563482	34.52
+C	 0.1949617753	-0.3696814959	-0.6888834349	-0.407566
+C	 1.1338012068	 0.2987900499	 0.3099349418	-0.043453
+C	 2.2852971595	 1.129406727	-0.3100672801	 0.12859
+O	 2.8270760565	 0.5442426991	-1.4835815905	-0.438601
+C	 3.2956539946	 1.1065121455	 0.8327921877	-0.130391
+O	 3.2842270862	-0.2616183104	 1.24344651	-0.27133
+C	 1.9131564165	-0.706085802	 1.2234589927	-0.079684
+C	 1.3595015567	-0.7935030424	 2.5733109148	 0.331235
+C	 0.8896353656	-0.8567376498	 3.6779702677	-0.454684
+H	-0.5383607902	-0.9976759108	-0.1733014022	 0.120926
+H	-0.3529692208	 0.378966957	-1.2690915218	 0.120994
+H	 0.7544787664	-0.989359697	-1.3941110473	 0.124902
+H	 0.5593040565	 0.9682601227	 0.9583926987	 0.093864
+H	 1.959629733	 2.1352690388	-0.5880696147	 0.088057
+H	 3.3372338502	-0.2253317769	-1.2026875391	 0.289769
+H	 4.3113909553	 1.3536201575	 0.5154988034	 0.11787
+H	 2.9975961811	 1.774952175	 1.6544831059	 0.101088
+H	 1.9199612896	-1.7078760791	 0.7769463266	 0.108274
+H	 0.4834802212	-0.9213913782	 4.6571849312	 0.200141
+19
+0 4374	2.7466389	1.2400503	0.9462548	1.3473	77.8	-0.2474	0.02625	0.27365	1266.5019	0.155165	-422.529125	-422.519503	-422.518558	-422.563929	35.071
+C	 1.0600876196	 1.4947906459	 0.1807378815	-0.42718
+C	 1.6440441149	 0.1046317351	-0.049493226	-0.003017
+C	 2.9472046734	 0.0693998765	-0.8573435297	-0.081384
+O	 3.6540621949	-1.1181980302	-0.473379995	-0.27215
+C	 3.0057298046	-1.7203234323	 0.6462932617	-0.066622
+C	 3.9726658996	-2.223527091	 1.6143031913	 0.291832
+C	 4.7245507291	-2.6368957147	 2.456365642	-0.437925
+C	 2.0669135362	-0.630181075	 1.2227890698	 0.09028
+O	 0.9491498807	-1.1391039978	 1.9109940649	-0.436108
+H	 0.1736863212	 1.4341058692	 0.8183729675	 0.135499
+H	 1.7887466261	 2.1504628646	 0.6711081093	 0.116372
+H	 0.7661709221	 1.9660180893	-0.7626927524	 0.117828
+H	 0.8955898002	-0.5291795796	-0.5424001786	 0.091386
+H	 2.7756329259	 0.0428349237	-1.9388537022	 0.108761
+H	 3.5709091365	 0.9479745453	-0.6351582898	 0.097777
+H	 2.3696434012	-2.5550345816	 0.3097181615	 0.102534
+H	 5.4050429581	-3.0076662227	 3.182726662	 0.199572
+H	 2.6581636497	 0.0426949312	 1.8628510119	 0.080299
+H	 1.2598463558	-1.5381703759	 2.7307323702	 0.292245
+19
+0 4375	2.1656133	1.4076428	1.2346521	0.9457	76.32	-0.2498	0.04271	0.29251	1135.0597	0.155952	-422.533122	-422.523911	-422.522967	-422.566843	34.651
+C	 0.1301226506	 0.2638527739	-0.030871108	-0.419856
+C	 1.5701921629	-0.2438371518	-0.0717796808	 0.075073
+O	 2.4082597042	 0.3643623367	 0.9218442375	-0.274499
+C	 2.7928234187	 1.645897192	 0.4321422389	-0.103194
+C	 2.8342213978	 1.5290198199	-1.1280584493	-0.242234
+C	 2.046718154	 2.5483829267	-1.8022471676	 0.337274
+C	 1.3881898671	 3.3891634372	-2.3557260187	-0.474289
+C	 2.335546456	 0.0616524604	-1.3680500235	 0.134205
+O	 3.429512087	-0.82145811	-1.5273125351	-0.439828
+H	-0.2777551569	 0.1395221201	 0.9760933469	 0.127031
+H	 0.0565643863	 1.3185822868	-0.309260861	 0.1369
+H	-0.4898034904	-0.3096813584	-0.7274060818	 0.121246
+H	 1.5926802843	-1.3194708192	 0.1280569279	 0.089343
+H	 2.0785364213	 2.4190954656	 0.7387155451	 0.111792
+H	 3.7681314912	 1.8860022198	 0.8626487665	 0.11583
+H	 3.8642296666	 1.5715355928	-1.4936101913	 0.119571
+H	 0.8131084111	 4.1332312145	-2.8489365816	 0.198759
+H	 1.7301383267	-0.0211293676	-2.2716981794	 0.101157
+H	 3.8562322315	-0.8938745293	-0.6643461949	 0.285719
+19
+0 4376	2.7853177	1.2167126	0.9097711	1.2818	77.25	-0.25153	0.04205	0.29357999999999995	1273.0597	0.1561	-422.545455	-422.535981	-422.535037	-422.579911	35.236
+O	-0.2056141148	 3.0792927781	-3.4382493764	-0.45069
+C	 0.1347793072	 2.239754846	-2.3551110388	 0.140312
+C	 1.3019626604	 2.8304461064	-1.5477559225	-0.237114
+C	 1.0652869449	 2.3963344817	-0.07062216	-0.236246
+C	-0.2211867442	 1.520016393	-0.0971421573	-0.18545
+C	-1.0101253231	 1.5197411993	 1.1229189346	 0.27417
+C	-1.7013736767	 1.5351840248	 2.107719714	-0.43789
+C	-0.9797730349	 2.0761622753	-1.3231867888	 0.092905
+O	-1.9930854337	 1.242149157	-1.8400607666	-0.453297
+H	-0.9860276323	 2.695573304	-3.8540931082	 0.288426
+H	 0.3899030536	 1.2294158043	-2.7163576651	 0.071572
+H	 2.2683515144	 2.4980048359	-1.9323927292	 0.10848
+H	 1.270544516	 3.9186699347	-1.6496979544	 0.119662
+H	 1.9073824537	 1.8436366395	 0.350920079	 0.112572
+H	 0.9027880334	 3.2664392386	 0.5700090385	 0.1175
+H	 0.0513022605	 0.4844047473	-0.3412369658	 0.109346
+H	-2.2928104502	 1.5435160586	 2.989603662	 0.194799
+H	-1.3746304097	 3.0747473665	-1.0770139257	 0.079162
+H	-2.6924675545	 1.1784508792	-1.1805561494	 0.291782
+19
+0 4377	2.2531625	1.5010496	1.2267273	1.3858	76.44	-0.25444	0.04607	0.30051	1154.2698	0.154783	-422.532583	-422.523051	-422.522107	-422.567034	35.423
+C	-0.2410735289	 0.3185205805	 0.0234236797	-0.437466
+C	 1.2103030896	-0.1617726934	 0.0353692996	 0.161079
+C	 1.4619047555	-1.4253938391	-0.8245671747	-0.243771
+C	 2.6138115277	-2.1464599681	-0.1072037508	 0.094826
+O	 3.8115971315	-1.9276252963	-0.8379806091	-0.429261
+C	 2.6279250279	-1.4769382284	 1.296278737	-0.109204
+O	 1.5006194482	-0.6163825209	 1.3650064505	-0.268138
+C	 2.1166310904	 0.9371074639	-0.3426383033	 0.382532
+C	 2.8368023967	 1.8526330454	-0.6388498339	-0.518718
+H	-0.3642272112	 1.1646976403	 0.7030951841	 0.135861
+H	-0.5289720789	 0.6355685159	-0.982229786	 0.127095
+H	-0.8969231739	-0.4940696799	 0.347547262	 0.119624
+H	 0.5575425971	-2.0394868346	-0.8104491391	 0.102692
+H	 1.7266248061	-1.2048234185	-1.8590739812	 0.127872
+H	 2.4127433099	-3.2234567088	-0.0285903213	 0.071574
+H	 4.5412066836	-2.3154839833	-0.3444004694	 0.282314
+H	 2.5463219895	-2.1870881486	 2.1243825985	 0.1041
+H	 3.5650500756	-0.9098759188	 1.3986455827	 0.100288
+H	 3.4841180038	 2.6515405629	-0.9045923854	 0.196703
+19
+0 4378	3.4428012	1.0900705	1.0630853	1.706	77.53	-0.24827	0.03829	0.28656	1228.3419	0.15524	-422.534031	-422.524787	-422.523843	-422.567935	35.048
+C	 0.5459209247	-0.9868951208	 0.1811894398	-0.404403
+C	 0.9353740064	 0.4805953378	 0.2051281056	 0.134099
+C	 0.2303954175	 1.3443572136	 1.2886795881	-0.303072
+C	 1.4128873179	 1.9513150233	 2.1009330638	 0.179348
+O	 1.74125249	 1.1163797024	 3.2097099101	-0.472707
+C	 2.5422305247	 1.8662543534	 1.0504121964	-0.137873
+O	 2.3424458912	 0.5802127468	 0.4903342081	-0.275792
+C	 1.1676014317	 3.2997353036	 2.5936925579	 0.31732
+C	 0.9686699036	 4.4280144762	 2.954540878	-0.427504
+H	 0.6839186627	-1.4398749937	 1.1683487916	 0.119039
+H	-0.5049472385	-1.0971863365	-0.1030661984	 0.122531
+H	 1.1581540612	-1.535044282	-0.5403222814	 0.130013
+H	 0.7574280088	 0.9249023104	-0.7861370437	 0.076319
+H	-0.3837207165	 2.127440538	 0.8402103076	 0.116003
+H	-0.3960356663	 0.7547574305	 1.9610141531	 0.122591
+H	 2.1217859267	 0.314465693	 2.8281307408	 0.284964
+H	 2.4421727214	 2.6617465987	 0.2964118666	 0.09874
+H	 3.5346762883	 1.9084932849	 1.5028685185	 0.124424
+H	 0.7935349847	 5.4207306804	 3.2889053274	 0.195958
+19
+0 4379	2.3111444	1.4883188	1.2496534	1.1657	76.7	-0.25484	0.04018	0.29502	1125.9664	0.154267	-422.533104	-422.523632	-422.522687	-422.567293	35.157
+C	 1.0284101398	-0.0077927639	-0.7367844823	-0.403311
+C	 0.7076439401	 0.0892787614	 0.747332546	 0.118864
+C	 0.9069037593	 1.4934107296	 1.3567792461	-0.132415
+O	 1.4772117593	 1.2315929332	 2.6305481483	-0.253354
+C	 2.2873643114	 0.0861360826	 2.4486843191	 0.214264
+C	 2.4350448233	-0.6413287287	 3.7755927576	-0.431063
+O	 1.5873240304	-0.7381641268	 1.5244987217	-0.286986
+C	 3.6040155567	 0.4698627408	 1.8837680574	 0.371149
+C	 4.6751329225	 0.7824226732	 1.4368186399	-0.48483
+H	 0.9226370329	-1.0382880632	-1.085981055	 0.129155
+H	 0.3439085535	 0.6208755219	-1.3174151344	 0.114533
+H	 2.0541966489	 0.3198220296	-0.9284380865	 0.133034
+H	-0.3141736956	-0.2651455879	 0.9340393256	 0.085613
+H	 1.5871641657	 2.0978261712	 0.7398822056	 0.105958
+H	-0.0250773533	 2.0418868185	 1.5067513457	 0.118174
+H	 3.0051504805	-1.5611263266	 3.631215035	 0.137758
+H	 2.959018363	-0.006398701	 4.493223302	 0.136181
+H	 1.440161798	-0.8824307386	 4.1553826726	 0.128693
+H	 5.6216649635	 1.0567496847	 1.0401234953	 0.198581
+19
+0 4380	2.7272498	1.302892	1.1302278	0.7071	77.28	-0.25399	0.03352	0.28751	1174.7448	0.154283	-422.532074	-422.522559	-422.521614	-422.566941	35.154
+C	 0.0830278318	-0.4945118806	 0.1120431288	-0.398682
+C	 1.416605379	 0.2223501406	-0.0349883284	 0.215722
+O	 2.1713261765	-0.2423563475	-1.1423871359	-0.261149
+C	 3.0958097936	-1.186272154	-0.6371676091	-0.143562
+C	 3.4533343378	-0.6014910983	 0.7503585709	 0.188071
+C	 4.5606585115	 0.4592253125	 0.6635074676	-0.425907
+O	 2.2126689925	 0.0203896483	 1.1283680271	-0.307143
+C	 3.7892854862	-1.640980721	 1.72178181	 0.307121
+C	 4.0994855234	-2.5027740078	 2.4991574727	-0.453249
+H	-0.4404948363	-0.1248421642	 0.9981057983	 0.128766
+H	-0.539073351	-0.3100880619	-0.7683118106	 0.122798
+H	 0.2358101744	-1.5713954117	 0.2242123818	 0.123824
+H	 1.2636174743	 1.2994459995	-0.1883390156	 0.086965
+H	 2.6530013044	-2.1854615091	-0.5323794084	 0.106382
+H	 3.9489053217	-1.2362625027	-1.3166475982	 0.122918
+H	 4.6321590607	 0.9976915687	 1.6109278191	 0.135353
+H	 5.5272745721	-0.0061780444	 0.4503534205	 0.123306
+H	 4.3226527627	 1.1693034024	-0.1333124233	 0.129483
+H	 4.3634512646	-3.2615669888	 3.1939618328	 0.198983
+19
+0 4381	3.1785301	1.192617	1.1093741	2.1896	77.03	-0.25051	0.0284	0.27891	1166.9354	0.156178	-422.545736	-422.536691	-422.535747	-422.579281	34.948
+O	 0.2495323416	-0.3560168272	-2.6793811675	-0.448772
+C	-0.4271244209	 0.8065609424	-3.1261040209	 0.137738
+C	 0.3362448602	 2.1155060088	-2.7859878899	-0.242185
+C	-0.3254634159	 2.6938511445	-1.5054323932	-0.234226
+C	-1.4028882999	 1.6628594773	-1.0846342913	 0.180068
+O	-0.7231345253	 0.7086989591	-0.234708353	-0.464601
+C	-1.7860276647	 0.9923523692	-2.4240465338	-0.264045
+C	-2.537275549	 2.2421128313	-0.3686990995	 0.24486
+C	-3.4837183849	 2.6885100196	 0.2234032226	-0.413849
+H	 0.2674141763	-0.2983117856	-1.7139103687	 0.280467
+H	-0.5449722083	 0.6779283312	-4.205319396	 0.073326
+H	 1.3955330258	 1.8876497216	-2.6499900953	 0.114385
+H	 0.2607465922	 2.8304772578	-3.6106016246	 0.101221
+H	 0.3715701336	 2.841946485	-0.6785410832	 0.123071
+H	-0.8085336106	 3.6522697729	-1.7070133282	 0.11501
+H	-1.3874829677	 0.0957102626	 0.1013078071	 0.288104
+H	-2.3216406589	 0.0492547543	-2.285727948	 0.103377
+H	-2.4278199141	 1.6728892014	-2.9944778087	 0.109688
+H	-4.3140452994	 3.0931813538	 0.7479356122	 0.196363
+19
+0 4382	2.1236321	1.6109032	0.9612202	4.2285	81.68	-0.24908	-0.06086	0.18822	1224.255	0.156383	-422.594733	-422.585638	-422.584694	-422.628532	33.385
+C	 1.3479374745	 0.8667585843	 0.4670379205	-0.499701
+C	-0.0181651138	 0.2747658219	 0.3393520962	 0.219946
+C	-1.1685317653	 0.8656809136	-0.0439462982	 0.123155
+C	-1.3652655272	 2.2523497619	-0.4411911857	 0.062615
+O	-2.4459895541	 2.6990497216	-0.7894522268	-0.298925
+C	-2.351704837	-0.0913428679	 0.012012204	 0.048099
+O	-3.174897526	-0.0572966977	-1.1364576818	-0.444139
+C	-1.6736079416	-1.4682551036	 0.1407617445	-0.23518
+C	-0.2617575449	-1.1759329582	 0.6949206403	-0.302829
+H	 1.7212146203	 0.7431650564	 1.4913980538	 0.141113
+H	 2.0529874392	 0.3339235095	-0.1831208438	 0.143025
+H	 1.3864022687	 1.927884174	 0.2154340259	 0.136828
+H	-0.4744557088	 2.9131931735	-0.4222019559	 0.077695
+H	-2.950762341	 0.1359897839	 0.9113736433	 0.071802
+H	-3.4340451919	 0.8686070504	-1.2446475393	 0.294166
+H	-2.2410213905	-2.1707735568	 0.7542181872	 0.105233
+H	-1.6044651783	-1.8819703162	-0.8696228803	 0.123636
+H	-0.2154006095	-1.2951945075	 1.7873872564	 0.119747
+H	 0.5129002472	-1.8364633831	 0.2880892498	 0.113713
+19
+0 4383	2.1780525	1.544749	0.9670817	1.4533	81.37	-0.24277	-0.06289	0.17988	1231.6107	0.154754	-422.578246	-422.568585	-422.567641	-422.613169	33.855
+C	-2.0882189774	-2.0672615314	 1.708106782	-0.394325
+C	-1.7030179813	-1.262435974	 0.4668346315	 0.040334
+O	-2.2038732164	 0.0739240157	 0.5905874403	-0.279478
+C	-1.1582694396	 1.0140496303	 0.4142918339	-0.147838
+C	 0.1035115042	 0.2156156403	 0.2362559914	 0.186957
+C	 1.4279235673	 0.8761236408	 0.0582641181	-0.509149
+C	-0.2111141296	-1.0925346116	 0.2543730531	 0.104311
+C	 0.6893506356	-2.2357282312	 0.0599897218	 0.073188
+O	 1.8944160212	-2.1823727867	-0.0764457474	-0.273796
+H	-1.7797211349	-3.1133519442	 1.6085116552	 0.116184
+H	-1.6156610698	-1.6458295219	 2.6001919751	 0.120459
+H	-3.1730883878	-2.0437824064	 1.8431721119	 0.130627
+H	-2.1711894495	-1.7307668453	-0.4156202615	 0.085713
+H	-1.3501869656	 1.6502410431	-0.4667871673	 0.110976
+H	-1.0997724511	 1.6882128491	 1.2840049893	 0.113274
+H	 1.6752337852	 1.4729905916	 0.9457422256	 0.137888
+H	 2.2154065455	 0.1436105678	-0.1085554631	 0.176076
+H	 1.3935448701	 1.5780120023	-0.7846016168	 0.134658
+H	 0.1741509337	-3.2222439883	 0.0350094269	 0.07394
+19
+0 4384	2.4583458	1.4184284	1.0405736	3.0628	80.5	-0.23101	-0.04917	0.18184	1197.0722	0.157166	-422.602943	-422.594052	-422.593108	-422.636546	33.186
+C	 1.3614271363	 0.6898545183	-0.4397100597	-0.478844
+C	 0.029180497	 0.0515344654	-0.1786772845	 0.324146
+C	-0.1071544933	-1.2771559286	-0.0122692061	-0.247572
+C	-1.3849967051	-1.916476719	 0.3185376421	 0.353195
+O	-1.4811594529	-3.1065332528	 0.5653102923	-0.354167
+C	-2.6186526091	-1.0092930604	 0.4560310855	 0.037338
+O	-2.7394653949	-0.6485124641	 1.8329850618	-0.441305
+C	-2.4874809964	 0.2722806535	-0.352933547	-0.24071
+C	-1.1561478775	 0.9784490766	-0.0714646547	-0.292481
+H	 1.5798117773	 1.4489258839	 0.3221590212	 0.138281
+H	 2.1733491632	-0.0407341491	-0.4441022815	 0.132227
+H	 1.356487428	 1.2142038025	-1.403723282	 0.13579
+H	 0.7490883619	-1.9434642815	-0.0714448223	 0.096075
+H	-3.4931634934	-1.589646529	 0.1305590052	 0.079899
+H	-2.7462409711	-1.4694104556	 2.3389302341	 0.293627
+H	-2.5480640312	 0.015318173	-1.4170477118	 0.107317
+H	-3.3302023698	 0.9327348773	-0.1258871139	 0.111423
+H	-1.0225507269	 1.8295998368	-0.7490992979	 0.104139
+H	-1.1716380619	 1.3987103028	 0.9435100692	 0.141621
+19
+0 4385	2.9111069	1.3186325	0.9424125	3.649	80.94	-0.22885	-0.04955	0.17930000000000001	1259.2814	0.155863	-422.590033	-422.58093	-422.579986	-422.623831	33.372
+C	-3.9589310476	-1.5141177383	-0.1620012537	-0.399689
+C	-2.6805126683	-0.8994945451	 0.3808460183	 0.00731
+O	-1.5780628591	-1.6370861579	-0.1348627338	-0.251572
+C	-0.3275282974	-1.1773544302	 0.3137169985	-0.159083
+C	-0.1132634725	 0.3007371267	 0.1004567045	 0.279087
+C	 1.3039061464	 0.7878683076	 0.1205849377	-0.478729
+C	-1.1761584662	 1.1001324568	-0.0791657388	-0.245285
+C	-2.5517592371	 0.5923277883	 0.033897508	 0.364906
+O	-3.5273706801	 1.3100672069	-0.0712542148	-0.336919
+H	-4.8156419031	-0.9215930287	 0.1624321839	 0.142023
+H	-3.936187963	-1.5202656265	-1.2553120171	 0.129117
+H	-4.0669213808	-2.5421417207	 0.1915039229	 0.1179
+H	-2.6780144515	-0.9616201827	 1.4868220289	 0.085148
+H	-0.1788953744	-1.4079433257	 1.387489121	 0.103936
+H	 0.4277478864	-1.7499186454	-0.2370613133	 0.121624
+H	 1.8032118444	 0.496878662	 1.0535552264	 0.138624
+H	 1.8824447245	 0.3364062621	-0.6951028602	 0.140999
+H	 1.3581845153	 1.8744765716	 0.0264298489	 0.138043
+H	-1.0717252657	 2.166745889	-0.2570940776	 0.102559
+19
+0 4386	2.0956366	1.4501049	1.1987768	2.2238	77.18	-0.24501	0.04319	0.2882	1150.3882	0.155394	-422.532766	-422.523337	-422.522393	-422.567426	34.836
+C	-0.253320626	 0.2509071692	-0.0538016545	-0.405746
+C	 1.2593762977	 0.3268781903	-0.2200989965	 0.149915
+O	 1.8296771746	 0.829502196	 0.9918124613	-0.271485
+C	 2.7120798712	 1.9031486206	 0.7149259296	-0.076044
+C	 2.1898669427	 2.5515390737	-0.5610417409	 0.109764
+O	 1.1040555175	 3.3929611675	-0.2106499517	-0.433976
+C	 1.7148253062	 1.3012122154	-1.3596175844	-0.278789
+C	 2.7763868191	 0.7501247595	-2.1892054966	 0.32584
+C	 3.6704244557	 0.3043241259	-2.8586170573	-0.454864
+H	-0.5007333102	-0.3523634823	 0.8239202329	 0.126005
+H	-0.6632675008	 1.2545695391	 0.0872429178	 0.131524
+H	-0.7188075165	-0.2097140591	-0.9315591802	 0.109255
+H	 1.6677562589	-0.6725588485	-0.4153313518	 0.085829
+H	 2.6950354791	 2.5958965482	 1.5601970894	 0.119563
+H	 3.7418552897	 1.5474535232	 0.5581005611	 0.099065
+H	 2.9700640393	 3.1029720515	-1.0990870389	 0.083109
+H	 0.7690256196	 3.8020018432	-1.0148969541	 0.285275
+H	 0.8618915152	 1.5719791745	-1.9913417865	 0.097926
+H	 4.451536897	-0.0963142178	-3.4560952886	 0.197832
+19
+0 4387	2.251868	1.4122083	1.2673126	2.9631	76.07	-0.24534	0.04777	0.29311	1110.8468	0.156734	-422.545753	-422.536736	-422.535792	-422.579306	34.499
+O	-2.5562210596	-0.4173837171	 3.0005630041	-0.447358
+C	-1.3133336894	-0.7192337928	 2.3496760944	 0.112008
+C	-0.141075405	 0.0731801461	 2.9516245624	-0.243482
+C	-0.1958321798	 1.4736104856	 2.2812376656	-0.231437
+C	-1.2706534649	 1.3882215997	 1.161727015	 0.14143
+O	-2.4987284812	 1.9838978124	 1.5279148926	-0.446576
+C	-1.4410811511	-0.1475073536	 0.9192798829	-0.236922
+C	-0.4178825437	-0.6889557621	 0.0370076855	 0.315171
+C	 0.4447193328	-1.1156540717	-0.6841786505	-0.447003
+H	-2.4531660098	-0.5992822356	 3.9401730312	 0.288909
+H	-1.1436842997	-1.8021807926	 2.353080021	 0.080936
+H	-0.2068569454	 0.1117011954	 4.0441484343	 0.089226
+H	 0.7943258503	-0.4377279732	 2.7065870931	 0.119408
+H	-0.4804626514	 2.2670219181	 2.9757350112	 0.110698
+H	 0.7791220336	 1.7394037467	 1.86517465	 0.110094
+H	-0.9507536912	 1.8967091536	 0.2500649676	 0.090328
+H	-2.8578691619	 1.4440552055	 2.2460791721	 0.282552
+H	-2.4368162592	-0.3478808305	 0.5117278073	 0.116974
+H	 1.1945698665	-1.4971527239	-1.3320679397	 0.195044
+19
+0 4388	2.820161	1.1941076	0.8778544	2.3069	81.55	-0.24624	-0.05644	0.1898	1303.3922	0.155879	-422.591792	-422.582385	-422.581441	-422.626149	33.969
+C	 1.3761355223	 0.8067048002	 0.2559323736	-0.495901
+C	 0.0080176115	 0.2555476656	 0.0227244646	 0.172049
+C	-1.1336565225	 0.8828740018	-0.3251507124	 0.130592
+C	-2.2850933078	-0.0839258288	-0.5113065071	-0.310161
+C	-1.7606788365	-1.3801541002	 0.1417256651	-0.257396
+C	-0.2217305338	-1.2486131492	 0.120302925	 0.078492
+O	 0.4503548165	-1.8755592407	 1.2011288698	-0.427757
+C	-1.3060596295	 2.3180315677	-0.553725183	 0.06881
+O	-2.3539648251	 2.8202064342	-0.9046254697	-0.27378
+H	 1.7799860921	 0.4164948691	 1.1957499747	 0.141982
+H	 2.0594428575	 0.4623101129	-0.5316358968	 0.141887
+H	 1.4067020469	 1.8969212855	 0.2801000224	 0.132949
+H	-3.2128604372	 0.2882769863	-0.0687587247	 0.124139
+H	-2.4919897275	-0.224694184	-1.5796736463	 0.120101
+H	-2.0815977818	-1.4219659545	 1.1904288455	 0.09696
+H	-2.114255345	-2.2934959703	-0.3410933918	 0.110383
+H	 0.203712485	-1.729331293	-0.7725188123	 0.103888
+H	 0.0460614352	-1.5605036458	 2.017756571	 0.278071
+H	-0.4086291704	 2.9494830632	-0.3807417177	 0.064694
+19
+0 4389	2.7620763	1.2374207	0.9108226	3.872	82.4	-0.24279	-0.05926	0.18353	1290.1987	0.155044	-422.581309	-422.571756	-422.570812	-422.616005	33.777
+C	 0.6720682214	 2.0540903663	-0.5157083167	-0.397805
+C	-0.3097007166	 1.1754242454	 0.2622016359	 0.07049
+O	-1.6194667483	 1.3277151483	-0.2773301268	-0.282314
+C	-2.206682298	 0.0548976223	-0.5366650806	-0.165146
+C	-1.1129157899	-0.943199637	-0.2592541339	 0.101587
+C	-1.3049233499	-2.374794732	-0.4671758376	 0.068601
+O	-2.3408044424	-2.8558842704	-0.8782815138	-0.27125
+C	-0.0223262286	-0.3089053705	 0.2040169788	 0.186209
+C	 1.2912423228	-0.863757726	 0.646446444	-0.505647
+H	 1.6673118083	 2.0325889371	-0.0604994292	 0.114153
+H	 0.7474725498	 1.7202420516	-1.5548591311	 0.123405
+H	 0.3162294789	 3.0875080554	-0.5103017856	 0.136172
+H	-0.3061766917	 1.5024400945	 1.3189776548	 0.085481
+H	-3.0800145721	-0.1102660011	 0.1117819176	 0.116368
+H	-2.5624063311	 0.0132884343	-1.574313406	 0.122392
+H	-0.4353129074	-3.0226473658	-0.2258898297	 0.067521
+H	 1.5160266084	-0.5414701299	 1.6708282056	 0.142235
+H	 1.320382188	-1.9540731909	 0.6186973984	 0.140497
+H	 2.1046287786	-0.4854444717	 0.0159978057	 0.147053
+19
+0 4390	4.282754	0.9836663	0.8267153	3.696	81.25	-0.24916	-0.05547	0.19369	1381.5654	0.156521	-422.583044	-422.574287	-422.573343	-422.616503	32.355
+C	-3.4418405278	 3.018501828	 0.3472341908	-0.403737
+C	-2.1932691717	 2.2795073298	-0.1068688484	 0.133355
+C	-2.2621981495	 0.7652632911	 0.1519097044	-0.262998
+C	-0.9054076738	 0.1426456105	 0.0215690145	-0.144202
+C	 0.2130971566	 0.8792179172	-0.0091422301	 0.190499
+C	 0.1626276442	 2.3799340556	 0.1282600195	-0.168878
+O	-1.0903067643	 2.8411047423	 0.5939193248	-0.259136
+C	 1.5217610849	 0.23436068	-0.1821221408	 0.095392
+O	 2.5740601406	 0.8320817986	-0.2351999098	-0.278015
+H	-3.5755179077	 2.9064614763	 1.4277274891	 0.126904
+H	-3.3575847651	 4.0844842177	 0.1215745182	 0.127689
+H	-4.3291262256	 2.6231074858	-0.1565979882	 0.115118
+H	-2.0474740766	 2.4357013757	-1.1900911668	 0.069388
+H	-2.6608813693	 0.5752568179	 1.1591988532	 0.125115
+H	-2.9648665654	 0.2925243794	-0.5462177625	 0.114965
+H	-0.8368262552	-0.9415042256	-0.0533959542	 0.103724
+H	 0.9135420615	 2.7139941448	 0.8501948682	 0.135945
+H	 0.4218426191	 2.8496119878	-0.8363676498	 0.110169
+H	 1.4814056251	-0.8756473032	-0.2649873323	 0.068701
+19
+0 4391	3.241641	1.0848198	0.9569842	2.7265	79.77	-0.25286	-0.05562	0.19723999999999997	1267.7833	0.157423	-422.595094	-422.586431	-422.585487	-422.628507	32.445
+O	-2.1802119523	-2.5159026376	 1.7740259905	-0.439869
+C	-2.055564643	-2.614330867	 0.3584169899	 0.121022
+C	-2.1909738628	-1.244443461	-0.322224018	-0.226723
+C	-1.0509985358	-0.3009911158	 0.0892981253	-0.318318
+C	 0.291509974	-0.9892018962	 0.0533042344	 0.21729
+C	 1.5077913848	-0.1566253826	 0.0886838836	 0.089019
+O	 1.5078188813	 1.0525846761	 0.1419082926	-0.273523
+C	 0.426709081	-2.3240404933	-0.0080470411	-0.134751
+C	-0.7281970998	-3.2829549658	-0.0406765033	-0.282524
+H	-1.4194967408	-2.0295180158	 2.1096626965	 0.284939
+H	-2.8860989899	-3.2594958885	 0.0556628277	 0.087813
+H	-2.1750770936	-1.3902001788	-1.4095857421	 0.100168
+H	-3.1589161559	-0.8041901501	-0.0661979685	 0.108865
+H	-1.0166762137	 0.5846262544	-0.5524634806	 0.131162
+H	-1.2275366738	 0.0952494935	 1.0988752234	 0.120472
+H	 2.4609287212	-0.73268737	 0.0612692774	 0.06615
+H	 1.4302340609	-2.7470182263	-0.0424339216	 0.10155
+H	-0.8069140692	-3.7131265256	-1.0500303594	 0.12323
+H	-0.5389436626	-4.1299252896	 0.6297314733	 0.124027
+19
+0 4392	2.2475443	1.3873066	1.1501855	2.7504	75.87	-0.24477	-0.03714	0.20762999999999998	1163.3716	0.156068	-422.604542	-422.595462	-422.594517	-422.6392	32.709
+C	-0.1061733427	 1.9199626546	 1.0936382284	-0.402152
+C	-0.9492208011	 1.3169045895	-0.047520352	-0.085468
+C	-2.3257251788	 0.7977701698	 0.4068143512	-0.236972
+C	-2.0803704305	-0.6556044006	 0.8771642891	-0.235662
+C	-0.9735241642	-1.1868828309	-0.0385563572	-0.192723
+C	 0.0281504006	-2.1309165497	 0.6004584864	 0.147214
+O	-0.0255781839	-2.5020859123	 1.7443308373	-0.239579
+C	-0.2434403236	 0.0684160323	-0.5849055767	 0.386492
+O	 0.7258684963	 0.0426313657	-1.2971393145	-0.323454
+H	-0.0004348285	 1.2218658321	 1.9307755585	 0.131729
+H	 0.8952595233	 2.1749910245	 0.7369022661	 0.139343
+H	-0.5824866107	 2.8285029396	 1.4738047553	 0.124686
+H	-1.018113965	 2.0507982602	-0.8558002233	 0.100404
+H	-2.7696427295	 1.4174357543	 1.190592658	 0.106378
+H	-3.0202208761	 0.8026142465	-0.4409753625	 0.103876
+H	-1.7249609785	-0.6846398817	 1.9113892654	 0.132066
+H	-2.986847939	-1.2632079357	 0.8380014858	 0.110685
+H	-1.3644228637	-1.7027450299	-0.9276185636	 0.126087
+H	 0.8488337254	-2.4426955685	-0.0780494918	 0.10705
+19
+0 4393	4.2864909	0.9871465	0.8474366	2.9948	78.71	-0.2442	-0.03039	0.21381	1365.048	0.155874	-422.571095	-422.562092	-422.561147	-422.605768	32.549
+C	 1.3815295713	-0.7671823712	-1.1411556322	-0.401875
+C	 1.2700177685	 0.1195298875	 0.1066951454	-0.039422
+C	 1.720070858	-0.6328094165	 1.3643228637	-0.082411
+O	 1.8111927389	 0.2289103473	 2.4887339516	-0.274376
+C	 2.7971135573	 1.2284470716	 2.3483243762	 0.002306
+C	 2.5160975119	 2.2775805161	 3.4255167724	 0.132228
+O	 3.2078362146	 3.2429170337	 3.6078847219	-0.246942
+C	 2.8103617642	 1.8688128441	 0.9829964551	-0.101754
+C	 2.0895738195	 1.3809114241	-0.0227051428	-0.060424
+H	 0.7774253013	-1.6745523219	-1.0366242781	 0.117553
+H	 1.032344825	-0.2341821354	-2.0310090821	 0.120382
+H	 2.4196104724	-1.0689556327	-1.3182303271	 0.12221
+H	 0.2135076972	 0.3980269074	 0.2340602434	 0.09383
+H	 1.0044010066	-1.4126827099	 1.6393427602	 0.110245
+H	 2.6931438744	-1.1159032817	 1.1754677816	 0.091774
+H	 3.8022336838	 0.8197170314	 2.5693532727	 0.105443
+H	 1.6047216467	 2.0626909939	 4.0242147128	 0.100052
+H	 3.4252684929	 2.7579313346	 0.8876182765	 0.117311
+H	 2.0934258455	 1.8794013175	-0.9896047512	 0.093871
+19
+0 4394	3.1720847	1.0810361	1.0185896	3.0557	79.23	-0.23887	-0.02987	0.209	1258.7014	0.15642	-422.573591	-422.56479	-422.563846	-422.607478	32.338
+C	 2.2794568393	-0.6543666701	-1.2126880016	-0.397949
+C	 1.5899216703	 0.200143963	-0.152082665	 0.094155
+O	 1.801758595	-0.4445914294	 1.0979678963	-0.262408
+C	 1.4613829815	 0.3560495678	 2.2137496266	-0.116694
+C	 2.3865706729	 1.5797838995	 2.3192496492	-0.124282
+C	 3.7927067207	 1.1676774024	 2.7408151469	 0.157278
+O	 4.4620307017	 1.7510773866	 3.5533272198	-0.252528
+C	 2.4595379843	 2.2519429185	 0.9668345373	-0.11236
+C	 2.0865862093	 1.6230629423	-0.1460011744	-0.055369
+H	 1.9028767134	-1.67943029	-1.1671165511	 0.129259
+H	 2.0866501879	-0.2547793931	-2.2126264344	 0.117073
+H	 3.3597797651	-0.670721792	-1.0435782478	 0.128575
+H	 0.5041873744	 0.2142124402	-0.3659173505	 0.080658
+H	 0.417170685	 0.7002609597	 2.1483474886	 0.10137
+H	 1.5490679774	-0.2918370995	 3.0913624353	 0.115832
+H	 2.0141382935	 2.2823585441	 3.0728065289	 0.097302
+H	 4.1697176177	 0.2683243134	 2.2060644267	 0.09109
+H	 2.8385081854	 3.2690837033	 0.9367747018	 0.108784
+H	 2.1108638852	 2.1292663732	-1.1076041024	 0.100214
+19
+0 4395	3.7573274	1.0196295	0.907414	1.3195	78.23	-0.24441	-0.03592	0.20848999999999998	1293.4488	0.157137	-422.583154	-422.574253	-422.573309	-422.617451	32.644
+O	 2.1956263818	 3.0776919905	-3.8045987154	-0.436305
+C	 2.1268823071	 1.7935045155	-3.1729298351	 0.10563
+C	 3.2571393914	 1.5840373999	-2.1548812282	-0.227003
+C	 2.9412058952	 2.2447219533	-0.806762863	-0.251999
+C	 1.6236820861	 1.7230400428	-0.1945052659	-0.107388
+C	 1.8074043418	 0.3679000638	 0.4836311354	 0.158766
+O	 1.4245949613	 0.1049677422	 1.5935081456	-0.245496
+C	 0.540718177	 1.5848525872	-1.241361736	-0.082413
+C	 0.7660744245	 1.5916786843	-2.5567356226	-0.099999
+H	 1.8132404692	 3.7200804326	-3.1976025911	 0.279401
+H	 2.2613265485	 1.0842751283	-3.997846201	 0.091497
+H	 3.4159954119	 0.5072934065	-2.0208899089	 0.102122
+H	 4.1800107929	 1.9937312414	-2.5756279005	 0.110964
+H	 3.7687555603	 2.1047885412	-0.103061639	 0.108702
+H	 2.8423456643	 3.3278776789	-0.9498392366	 0.102996
+H	 1.2755816529	 2.3984990688	 0.5945886221	 0.099625
+H	 2.3194647691	-0.3969021534	-0.1432157776	 0.079406
+H	-0.470800672	 1.4556692525	-0.8640089524	 0.109156
+H	-0.0673773933	 1.5128238037	-3.2502427798	 0.102339
+19
+0 4396	3.3848992	0.9938802	0.8152219	1.699	77.78	-0.25108	0.05391	0.30499000000000004	1421.8077	0.155221	-422.530864	-422.521418	-422.520474	-422.566008	33.915
+C	 3.4884422054	 4.490244693	 1.229093101	-0.41394
+C	 3.5622457659	 3.0598458851	 1.7252928776	 0.12202
+C	 4.8757744927	 2.3133253665	 1.4294622596	-0.098032
+O	 4.4700711347	 0.9700093136	 1.1877398115	-0.272272
+C	 3.0486917301	 0.9349221252	 1.1883872337	 0.22209
+C	 2.5615042612	 0.066388976	 0.0273418474	-0.378394
+C	 1.1222619233	-0.1523080713	 0.0425142718	 0.305199
+C	-0.0646493737	-0.3355935622	 0.0721883606	-0.448979
+O	 2.6084143415	 2.2564883145	 1.0331615923	-0.258186
+H	 4.2352196656	 5.1083659455	 1.7371833773	 0.121686
+H	 3.6738820864	 4.529614899	 0.151708246	 0.129276
+H	 2.5010004111	 4.9151271489	 1.427013147	 0.134832
+H	 3.3529552616	 3.021192332	 2.8069454772	 0.07592
+H	 5.3711335244	 2.7168510484	 0.5360698414	 0.100242
+H	 5.5791759695	 2.3466186638	 2.2686846558	 0.106579
+H	 2.698236628	 0.5229225983	 2.1514681299	 0.075254
+H	 2.8743748554	 0.5531413717	-0.9030424381	 0.138359
+H	 3.0930496858	-0.890062924	 0.0886289064	 0.142756
+H	-1.1143422089	-0.4932250442	 0.0901164716	 0.195589
+19
+0 4397	3.0596356	1.0761234	0.8818704	1.1518	77.54	-0.25166	0.05293	0.30458999999999997	1306.6417	0.155241	-422.530984	-422.521617	-422.520673	-422.566051	33.867
+C	 3.4816685406	-2.4463661429	 3.7579198995	-0.40275
+C	 3.6449999532	-2.633466932	 2.2673194331	 0.230009
+O	 4.7846388721	-1.9477759078	 1.7993249202	-0.246592
+C	 4.5402531475	-1.7534263488	 0.4172079097	-0.137395
+C	 3.0175519854	-1.4973432214	 0.3577659785	 0.113947
+C	 2.664753457	 0.0009726662	 0.3232863124	-0.368712
+C	 1.232200694	 0.2588140014	 0.3699528567	 0.307472
+C	 0.0485969304	 0.4644250861	 0.3890993521	-0.437808
+O	 2.5388138313	-2.0804670242	 1.5663509599	-0.273857
+H	 4.335644237	-2.8792970028	 4.2852592223	 0.127176
+H	 3.4141967221	-1.381131909	 3.9908940201	 0.13074
+H	 2.5695323684	-2.944726584	 4.0947814231	 0.132412
+H	 3.7295003088	-3.7062460341	 2.0079042328	 0.061183
+H	 5.1437398455	-0.9107710567	 0.0717397876	 0.1173
+H	 4.8107802642	-2.6489839641	-0.1619468827	 0.097305
+H	 2.5549188723	-2.0007320079	-0.4994975497	 0.090791
+H	 3.166482405	 0.4882246758	 1.1684277626	 0.138328
+H	 3.085598195	 0.4357958551	-0.5932698225	 0.126009
+H	-0.9969158699	 0.646287651	 0.4174147845	 0.194443
+19
+0 4398	3.2999953	1.0228728	0.9706933	2.5298	77.38	-0.24019	0.05918	0.29936999999999997	1295.0307	0.155791	-422.530141	-422.520863	-422.519919	-422.564633	34.117
+O	 5.0384876092	 1.5896424341	 1.418400217	-0.430199
+C	 5.025235347	 0.4256674127	 2.2382092595	 0.107604
+C	 3.8671408401	 0.413898926	 3.2398087396	-0.086737
+O	 2.7213429817	-0.0299004838	 2.5304027936	-0.265266
+C	 3.1062812048	-0.7135283174	 1.332570634	 0.136397
+C	 2.5327613898	 0.0298895899	 0.1084466567	-0.366972
+C	 1.0773101726	 0.0858801519	 0.1008906986	 0.31083
+C	-0.1241854691	 0.1136095988	 0.0912122923	-0.447504
+C	 4.6490683314	-0.7579282935	 1.3444686562	-0.267441
+H	 5.0800007015	 2.3629067515	 1.9899803228	 0.285243
+H	 5.9958026466	 0.2891219019	 2.734592169	 0.069845
+H	 4.0969659149	-0.2653048883	 4.0769438767	 0.09052
+H	 3.6610962732	 1.4065509351	 3.65909767	 0.097185
+H	 2.6778326929	-1.7225166673	 1.3636497845	 0.083676
+H	 2.9601742629	 1.0380342036	 0.0970480005	 0.1471
+H	 2.8829503429	-0.477508569	-0.8003376519	 0.120208
+H	-1.185062128	 0.1478565451	 0.0866644639	 0.189699
+H	 5.0027887018	-1.6892198568	 1.7954357226	 0.106262
+H	 5.0931038538	-0.6649308844	 0.3514839946	 0.11955
+19
+0 4399	4.581135	0.9914166	0.8563243	0.5795	78.96	-0.2377	0.0317	0.2694	1353.8996	0.156016	-422.521093	-422.51219	-422.511246	-422.554411	33.58
+C	 0.1270159907	 0.6723321599	-0.0420132862	-0.408976
+C	 1.2521868926	-0.3454197822	 0.0378051702	 0.126383
+C	 2.5946252362	 0.2777871336	 0.4196112721	-0.076558
+O	 3.6385920876	-0.6847043611	 0.3896702008	-0.266288
+C	 3.7448134544	-1.2902920718	-0.8969793343	-0.066867
+C	 2.3973029458	-1.9289394835	-1.278146022	-0.093644
+O	 1.369127124	-0.9604450219	-1.2450704625	-0.264698
+C	 4.8172912362	-2.2755982763	-0.8762125887	 0.293621
+C	 5.6741309699	-3.1169518413	-0.8954472945	-0.415466
+H	-0.0380182915	 1.1436345259	 0.9316020479	 0.118649
+H	 0.36507258	 1.4516590261	-0.7724621727	 0.126216
+H	-0.8001080504	 0.1847042878	-0.3534824135	 0.130722
+H	 1.0117404849	-1.1221673909	 0.7836612917	 0.073333
+H	 2.8178938283	 1.107463877	-0.2723456343	 0.091206
+H	 2.5695087986	 0.6696657782	 1.440542908	 0.111186
+H	 3.972640329	-0.5115812271	-1.6456437809	 0.09965
+H	 2.4351244869	-2.3260821613	-2.295848266	 0.118338
+H	 2.1889745939	-2.7532265506	-0.5786266682	 0.103625
+H	 6.4418514929	-3.8507889204	-0.9058686767	 0.199566
+19
+0 4400	3.4121876	1.1307264	1.035411	1.8758	77.58	-0.26242	0.03474	0.29716	1230.4003	0.15628	-422.521157	-422.512388	-422.511444	-422.554365	33.166
+C	 0.3478443945	 0.6681373631	 1.1865920114	-0.387708
+C	 1.407969638	 0.1797607965	 0.192829183	-0.001142
+C	 2.3583973225	 1.3090449222	-0.2342736821	-0.084443
+O	 3.1977389715	 1.7023071096	 0.8488989572	-0.251545
+C	 3.947794636	 0.6092879775	 1.3260589426	 0.033993
+O	 3.1255460627	-0.4241996098	 1.8167218347	-0.251543
+C	 2.2821978304	-0.9353228798	 0.7871963403	-0.084438
+C	 4.8218103751	 1.0694296265	 2.4022753545	 0.289662
+C	 5.5712371478	 1.4361739761	 3.2639769086	-0.387951
+H	 0.8211146515	 1.0632156596	 2.0884157951	 0.145871
+H	-0.2654641915	 1.4614736279	 0.7471896714	 0.110899
+H	-0.3194798667	-0.1483871309	 1.4808213793	 0.110898
+H	 0.9170119748	-0.2132236954	-0.7072251056	 0.074759
+H	 2.9808003768	 0.9799920422	-1.0835659515	 0.088951
+H	 1.8143058133	 2.2074137916	-0.5373423104	 0.11242
+H	 4.5576172442	 0.2082661174	 0.4904120525	 0.080886
+H	 2.9001815611	-1.3944721769	-0.0028939686	 0.088949
+H	 1.6809145021	-1.7217146008	 1.2508758278	 0.112418
+H	 6.225710876	 1.7641482234	 4.0334738197	 0.199064
+19
+0 4401	2.7832638	1.2147707	1.190939	1.6929	77.23	-0.24948	0.05193	0.30141	1172.7946	0.156351	-422.531817	-422.523029	-422.522085	-422.565071	33.252
+C	 0.1985861606	 0.6070062841	-0.0559352107	-0.410212
+C	 1.2118502115	-0.5149653257	-0.0723535582	 0.232033
+O	 0.6815808157	-1.581658785	-0.8274466616	-0.244316
+C	 1.5639696827	-2.6846951171	-0.8834534336	-0.090418
+C	 1.9126922556	-3.1865427128	 0.5364780974	-0.195883
+C	 2.404078118	-1.9585792875	 1.3367492572	-0.090602
+O	 1.4718589573	-0.8984419197	 1.2597606406	-0.244342
+C	 0.7828150438	-3.8470351169	 1.1800081871	 0.360979
+C	-0.1388850697	-4.4056712664	 1.7113921661	-0.486253
+H	 0.5872293036	 1.4515382736	 0.5172891788	 0.126127
+H	-0.0156098193	 0.9305265972	-1.0768675117	 0.126118
+H	-0.7249828324	 0.2539849751	 0.4086732627	 0.140896
+H	 2.1666395526	-0.1962071378	-0.5383844493	 0.051362
+H	 1.0660855676	-3.4607242652	-1.4680447368	 0.122521
+H	 2.4992862905	-2.4019314681	-1.3959970887	 0.088152
+H	 2.7456951155	-3.8977190103	 0.4539576489	 0.105509
+H	 2.5273705748	-2.197245991	 2.3949051487	 0.122571
+H	 3.3796687609	-1.641612726	 0.9302200422	 0.08819
+H	-0.9579520793	-4.8920152402	 2.1803656708	 0.19757
+19
+0 4402	4.4561134	0.9575746	0.8265735	0.592	78.09	-0.24719	0.03611	0.2833	1367.8619	0.156532	-422.531839	-422.522956	-422.522012	-422.565096	33.887
+O	-2.4999270559	 4.6203507048	-0.9903555812	-0.431204
+C	-2.0711875013	 3.6179884112	-0.0813151938	 0.115345
+C	-2.6783805552	 2.2902419569	-0.5256918396	-0.223756
+C	-2.1189979553	 1.1358956011	 0.3158779826	-0.215603
+C	-0.5781000305	 1.1730553586	 0.316874772	-0.05725
+O	-0.1022760773	 2.4412148179	 0.7664562685	-0.256727
+C	-0.5407255895	 3.4981524246	-0.0692762349	-0.098615
+C	-0.0039266203	 0.1379719441	 1.1704466623	 0.294724
+C	 0.4375406531	-0.7401758579	 1.8605643244	-0.406432
+H	-2.2023001806	 5.474577938	-0.6610452987	 0.284646
+H	-2.4083826448	 3.8428713268	 0.9433129925	 0.072882
+H	-3.7695245578	 2.3338258227	-0.4560088325	 0.10659
+H	-2.4304828414	 2.1424533823	-1.5850159277	 0.106998
+H	-2.4607795114	 1.2124856784	 1.3538999041	 0.115568
+H	-2.4588607091	 0.1697826138	-0.0699678464	 0.111259
+H	-0.2271246477	 1.0110768493	-0.7186683342	 0.094017
+H	-0.0762694524	 4.4087802622	 0.324323505	 0.097576
+H	-0.1917295318	 3.3566393963	-1.1062444442	 0.09424
+H	 0.8393490889	-1.5101047911	 2.4718039217	 0.195742
+19
+0 4403	3.7367894	0.8442388	0.8065605	2.8421	79.97	-0.23671	-0.03414	0.20257	1483.6933	0.154975	-422.571416	-422.561952	-422.561007	-422.60733	33.015
+C	-4.0212104738	 2.5982981648	 1.2070077924	-0.387207
+C	-3.0195994166	 3.0276930584	 0.1351405131	 0.110591
+O	-1.9476871765	 3.7636973194	 0.7401009798	-0.277047
+C	-0.6927049449	 3.2191189297	 0.360784393	-0.154053
+C	-1.0143650658	 1.9888074985	-0.453423682	 0.279442
+C	 0.0527416832	 1.0690439004	-0.9674323205	-0.383515
+C	 0.6487152416	 0.2343593422	 0.1618144859	 0.160576
+O	 1.8142906105	 0.2084025775	 0.4532610884	-0.229059
+C	-2.335273011	 1.8942952642	-0.5809217229	-0.22205
+H	-3.548565996	 1.9200879932	 1.9234201213	 0.118381
+H	-4.3885991721	 3.4752029692	 1.747271086	 0.129189
+H	-4.8784539534	 2.0899892082	 0.7529726153	 0.111253
+H	-3.5380798695	 3.6843418662	-0.585145525	 0.082642
+H	-0.1139247545	 3.9514228823	-0.2275416978	 0.104902
+H	-0.0962460891	 2.9912680444	 1.2582028826	 0.113766
+H	-0.3797738268	 0.3719683121	-1.6964892595	 0.128014
+H	 0.8704142753	 1.6157015249	-1.448597745	 0.129118
+H	-0.1054407834	-0.365471856	 0.720732217	 0.082728
+H	-2.8768530469	 1.1299558505	-1.1253701822	 0.102332
+19
+0 4404	3.6192115	0.8449795	0.7930249	1.0602	79.36	-0.24301	-0.03518	0.20783000000000001	1476.4701	0.155893	-422.582212	-422.572843	-422.571899	-422.618247	33.184
+O	-1.9692601819	 4.3546005865	 2.1022607536	-0.432195
+C	-1.8647569675	 3.9331830154	 0.7487918472	 0.126242
+C	-2.9359200461	 2.8931549344	 0.3193743746	-0.244057
+C	-2.2126520089	 1.9084982088	-0.6278421673	-0.305664
+C	-0.7446964701	 2.1417410646	-0.3276032946	 0.310205
+C	 0.3155756549	 1.2046612307	-0.8396317219	-0.374367
+C	 0.2876675638	-0.086156143	-0.0309146363	 0.158979
+O	-0.0690961685	-1.1541159773	-0.4528675859	-0.231308
+C	-0.5650758628	 3.239779486	 0.4102901261	-0.238886
+H	-1.8219474993	 3.5794008574	 2.6560702451	 0.271999
+H	-1.9643080854	 4.8654511172	 0.1776911386	 0.095631
+H	-3.2709621124	 2.3686610834	 1.221520988	 0.100645
+H	-3.8184936012	 3.3556557589	-0.1277712405	 0.106743
+H	-2.512465503	 0.8642868861	-0.4824930575	 0.119091
+H	-2.4182991206	 2.1369803161	-1.6826782489	 0.114596
+H	 0.1525539312	 0.949201896	-1.8915149779	 0.126182
+H	 1.3069064222	 1.6592310671	-0.7265174855	 0.120998
+H	 0.6035152507	 0.0424289515	 1.0297966724	 0.079475
+H	 0.392929715	 3.6446027502	 0.7199476507	 0.095691
+19
+0 4405	2.4816764	1.262694	1.0985965	1.786	76.24	-0.24766	0.0409	0.28856	1192.9852	0.153769	-422.513725	-422.503847	-422.502903	-422.548593	36.154
+C	 2.8619779373	 2.4930475753	-0.5623084741	-0.434705
+C	 3.112183477	 1.051477124	-0.971226943	 0.376134
+C	 2.5999604991	 0.0359084456	 0.0668911643	-0.404806
+C	 1.1458435233	 0.0294241727	 0.1640791265	 0.302744
+C	-0.0564106904	 0.0411501335	 0.1997941162	-0.46018
+O	 4.5229754918	 0.8126092395	-1.2318777774	-0.326349
+C	 4.2906629572	 0.6503432741	-2.6476795763	-0.094594
+C	 2.7708243581	 0.6974866523	-2.4539602981	 0.026965
+O	 2.1382590452	 1.6630164688	-3.2529577467	-0.421007
+H	 3.4472536846	 2.7238586907	 0.3335313504	 0.122044
+H	 3.1548282339	 3.1767901135	-1.3610540969	 0.132137
+H	 1.8041771501	 2.6572609164	-0.3360082555	 0.124036
+H	 2.9611446295	-0.9589361639	-0.2191637427	 0.133391
+H	 3.0485992403	 0.261441299	 1.0423231476	 0.136376
+H	-1.1167159994	 0.0403083233	 0.2583300464	 0.198841
+H	 4.6666280949	 1.4993312562	-3.2317082864	 0.112342
+H	 4.7193928908	-0.2800571959	-3.0342878634	 0.10537
+H	 2.2816676027	-0.2804214387	-2.5442202012	 0.080187
+H	 1.1932577942	 1.6296416236	-3.0711411998	 0.291074
+19
+0 4406	3.3802617	1.06718	0.9713588	0.9572	76.82	-0.25336	0.04493	0.29828999999999994	1278.8576	0.153447	-422.51093	-422.500967	-422.500023	-422.545823	36.272
+C	 5.3802388522	-2.5782257045	-0.6598848209	-0.411298
+C	 4.6090866378	-1.6062998135	 0.2138340185	 0.088769
+O	 4.3588204654	-2.125276461	 1.5439169561	-0.29225
+C	 2.9450692319	-2.2540536508	 1.2956413982	-0.131378
+C	 3.0717953213	-1.4832807996	-0.0386333333	 0.320966
+O	 2.5354173946	-2.0570545965	-1.2008547986	-0.461614
+C	 2.5664835941	-0.0364964107	 0.0158414402	-0.387662
+C	 1.1260666946	 0.0620716513	 0.2170657054	 0.312845
+C	-0.0580340802	 0.1367676715	 0.4071437405	-0.448221
+H	 6.3816353289	-2.7337501394	-0.2482226064	 0.132499
+H	 4.8899634384	-3.5564905762	-0.7104588027	 0.10525
+H	 5.4792462594	-2.1867099675	-1.6772740838	 0.1283
+H	 5.1400262029	-0.6463268846	 0.2665401428	 0.076429
+H	 2.6362619011	-3.3027852026	 1.1733847127	 0.089264
+H	 2.3332705269	-1.7946306832	 2.0791150524	 0.118273
+H	 2.7393640132	-2.997505203	-1.2061552921	 0.284419
+H	 3.087937774	 0.4852768825	 0.8268545571	 0.140471
+H	 2.8524416047	 0.4584219135	-0.9205325844	 0.138865
+H	-1.1059297211	 0.206644114	 0.5628954884	 0.196074
+19
+0 4407	2.8040874	1.1353185	1.0693165	1.3148	77.19	-0.25237	0.04437	0.29674	1224.755	0.154091	-422.52339	-422.5136	-422.512656	-422.55772	36.583
+O	 5.2806552288	 0.2069741053	 0.2732236058	-0.431866
+C	 4.6247510333	 1.1293999493	 1.1101226518	 0.086911
+C	 4.3733290536	 0.7735819555	 2.6021378722	-0.274587
+C	 2.936479907	 1.342162109	 2.4442775296	-0.282639
+C	 3.0977896137	 1.2260564229	 0.8956462628	 0.390836
+O	 2.7325259202	 2.3388566864	 0.117735004	-0.486981
+C	 2.5003506512	-0.073926879	 0.3134474002	-0.39556
+C	 1.0480479567	 0.0180643967	 0.222794539	 0.258736
+C	-0.1443797468	 0.1652556773	 0.1549872573	-0.424504
+H	 6.2294866687	 0.2897641421	 0.405766098	 0.288343
+H	 5.0463015995	 2.1384235236	 1.0115059873	 0.084904
+H	 4.3796464188	-0.3101202517	 2.7474940448	 0.108288
+H	 5.024378709	 1.2356965188	 3.3467352121	 0.098187
+H	 2.1154277521	 0.7878834252	 2.9033147706	 0.106789
+H	 2.8694802249	 2.3925798744	 2.7355113929	 0.109652
+H	 1.7806267525	 2.2864554474	-0.0387990796	 0.280406
+H	 2.9333516658	-0.2368244773	-0.6788743795	 0.151835
+H	 2.7901823224	-0.9335951012	 0.9267705737	 0.133376
+H	-1.2004469814	 0.2561832753	 0.0894574966	 0.197873
+19
+0 4408	1.9099675	1.4768715	1.3360461	2.812	76.55	-0.24666	-0.04317	0.20349	1121.6607	0.154184	-422.56704	-422.557373	-422.556429	-422.602248	34.073
+C	 1.5242525035	 1.0965844264	-0.8384542211	-0.425209
+C	 1.988685681	 0.3811057759	 0.418806739	 0.012837
+C	 3.4891347222	 0.0601494084	 0.6306968414	-0.231743
+C	 3.0973599043	-1.3118491252	 1.2314469529	-0.279203
+C	 1.686100969	-1.186530273	 0.6046342234	 0.109029
+C	 1.5406586142	-1.8776369434	-0.7341904016	 0.105691
+O	 2.4716740493	-2.297780035	-1.3762947468	-0.262623
+C	 0.4745465906	-1.4099990727	 1.4740820008	 0.086006
+O	-0.6512513495	-1.531070581	 1.0584729009	-0.256586
+H	 1.9211661502	 0.6228383381	-1.7414741943	 0.136427
+H	 0.4317519299	 1.114009517	-0.9096925922	 0.133817
+H	 1.8747833141	 2.1344000069	-0.8254154755	 0.125338
+H	 1.5899763008	 0.8938420065	 1.301950879	 0.089508
+H	 4.0079054439	-0.0595056255	-0.3236241839	 0.12637
+H	 4.0552486025	 0.7503505037	 1.2598662194	 0.103103
+H	 3.6740791588	-2.1765114155	 0.9024409198	 0.128696
+H	 3.048575299	-1.2974401339	 2.3247566797	 0.10307
+H	 0.497108737	-1.9611131906	-1.095420381	 0.113341
+H	 0.6876489293	-1.410768517	 2.56855312	 0.08213
+19
+0 4409	2.9398522	1.6051323	1.236771	1.1371	75.17	-0.24102	0.0701	0.31112	1052.779	0.15649	-422.472956	-422.46498	-422.464036	-422.505519	30.625
+C	 1.8048547897	-1.2673326253	-0.7833256234	-0.408783
+C	 1.3360021633	-0.0761583733	 0.0395215755	-0.141813
+C	 1.2671740477	-0.2400966556	 1.5764033486	-0.095916
+O	 2.2138674645	 0.8384884192	 1.774475223	-0.335886
+C	 2.3590034214	 1.019841201	 0.369275136	 0.526241
+C	 3.7481086822	 1.2010938943	-0.3005886108	-0.028933
+C	 3.8364197518	 2.6175777676	 0.3142087949	-0.242335
+C	 2.4198853165	 2.4268345728	-0.2751553196	-0.030441
+O	 3.0214534386	 1.7701142014	-1.4617499429	-0.321105
+H	 2.7149549812	-1.7066866112	-0.3603272261	 0.114676
+H	 1.0390606449	-2.0496403139	-0.8124904842	 0.114509
+H	 2.0215270939	-0.9599244577	-1.8099115433	 0.139638
+H	 0.4156280499	 0.3374913505	-0.3814618519	 0.087219
+H	 0.3040966039	-0.0238619652	 2.0512342875	 0.105402
+H	 1.6556404012	-1.191248524	 1.9605993208	 0.102306
+H	 4.5379221478	 0.4783392495	-0.5054640906	 0.094305
+H	 3.9294622594	 2.6968397641	 1.3987665952	 0.12164
+H	 4.4714566884	 3.3151489862	-0.2334417373	 0.106596
+H	 1.6276146635	 3.1555077796	-0.4498835315	 0.092682
+19
+0 4410	3.0104841	1.5373433	1.2060052	1.6425	74.92	-0.2408	0.07636	0.31716	1064.3354	0.156216	-422.466982	-422.458958	-422.458014	-422.499636	30.665
+C	-0.0259607487	 0.0692097288	 0.0021982677	-0.403238
+C	 1.4774194961	-0.0931129304	 0.0945170044	 0.066383
+O	 1.8872225547	-0.9058528551	 1.2309958275	-0.299254
+C	 2.6260753388	-1.8192622278	 0.3980079112	-0.181282
+C	 2.1832522899	-1.0658989968	-0.8626277452	 0.36136
+C	 3.0353903116	-0.6406290055	-2.0754732148	-0.029056
+C	 2.9600726157	-2.0836146656	-2.6267205718	-0.237426
+C	 1.5544372186	-1.6479655351	-2.1488008088	-0.023416
+O	 1.7733512182	-0.3288077758	-2.7960895905	-0.320113
+H	-0.4030126706	 0.6092414104	 0.8761414308	 0.123723
+H	-0.2835675539	 0.6338359462	-0.8987123187	 0.13412
+H	-0.522381265	-0.9053677593	-0.0367077734	 0.112175
+H	 1.9632091761	 0.8920640274	 0.1380804023	 0.076959
+H	 3.7041326236	-1.7933919324	 0.6080107623	 0.101406
+H	 2.2720533111	-2.8532322542	 0.500891323	 0.10388
+H	 3.8426081771	 0.0905676025	-2.1338893152	 0.098267
+H	 3.0712258838	-2.170281826	-3.7079722876	 0.112161
+H	 3.4735244638	-2.8767136722	-2.0765839457	 0.103191
+H	 0.5875449088	-2.1284936991	-2.2992453574	 0.10016
+19
+0 4411	2.8706277	1.6622755	1.2417236	2.5593	74.99	-0.24214	0.07019	0.31233	1033.8506	0.157277	-422.47748	-422.469825	-422.46888	-422.509378	30.572
+O	 0.2135427894	 0.1058802475	 0.1901370869	-0.442729
+C	-0.9793539838	 0.8326194584	 0.3312622734	 0.077516
+C	-0.831877916	 2.3551873832	 0.5647922177	-0.241623
+C	-2.0217629663	 2.5880859961	-0.4155265332	-0.349244
+C	-1.7873094093	 1.1555727876	-0.9394577737	 0.391734
+C	-2.7193002387	 0.1599387659	-1.6639169365	-0.050486
+C	-2.5693333702	 0.964292005	-2.9742054793	-0.236147
+C	-1.17786928	 0.8072745432	-2.3210624632	-0.012644
+O	-1.5029361665	-0.6211677119	-2.0423946171	-0.332335
+H	-0.0126826437	-0.6476882235	-0.3715515745	 0.289055
+H	-1.6347416083	 0.3876117513	 1.0984623674	 0.061998
+H	-0.9323618974	 2.7249438577	 1.586426002	 0.101375
+H	 0.1134427077	 2.7055497893	 0.1431488778	 0.114384
+H	-2.9777844572	 2.6868624469	 0.1070826382	 0.109048
+H	-1.9311373689	 3.4097462927	-1.1294028823	 0.106256
+H	-3.5720518001	-0.4034132105	-1.2829120819	 0.09425
+H	-2.7175478374	 0.3924228976	-3.8910329615	 0.110486
+H	-3.0086546418	 1.963473081	-3.014112978	 0.104496
+H	-0.1878879316	 1.0236691026	-2.7215235923	 0.104612
+19
+0 4412	2.9208189	1.6203991	1.2429658	0.5824	75.3	-0.24373	0.06372	0.30745	1039.6495	0.157674	-422.491316	-422.483549	-422.482605	-422.523599	30.387
+O	 0.4851323926	-0.02104441	 0.333346636	-0.423011
+C	-0.7795543812	 0.4415608152	 0.7289086684	-0.033348
+C	-1.2540506607	 0.2232897192	 2.1825574442	-0.123393
+O	-1.5770477565	 1.6218874854	 2.318101821	-0.339961
+C	-0.9770258962	 1.9390056386	 1.0516440246	 0.502868
+C	-1.5868801869	 3.0390560958	 0.1567145238	-0.130786
+C	-1.0090301734	 4.0650812287	 1.1810643619	-0.2348
+C	 0.1322763739	 3.0251224629	 0.9599893937	-0.136677
+C	-0.2030241942	 3.0857935737	-0.5590652404	-0.229562
+H	 1.1412690848	 0.3431961216	 0.9379691154	 0.285321
+H	-1.4842055944	 0.0635358015	-0.0158498196	 0.105982
+H	-2.1270581701	-0.4187486633	 2.3392055718	 0.109423
+H	-0.4484427618	-0.0869920354	 2.8632932174	 0.092646
+H	-2.5753302766	 3.0399689414	-0.3040561614	 0.073155
+H	-0.8169023292	 5.0700797108	 0.7958710682	 0.090064
+H	-1.4705235878	 4.086159136	 2.1685401154	 0.11802
+H	 1.1201187963	 3.0200645227	 1.424511536	 0.066264
+H	 0.0340601959	 4.0293085937	-1.055680288	 0.095013
+H	 0.0844535154	 2.2243857514	-1.1645566083	 0.11278
+19
+0 4413	3.3623984	1.3209953	1.1467632	3.0256	75.45	-0.21699	0.05768	0.27466999999999997	1131.5288	0.156449	-422.481131	-422.472875	-422.471931	-422.514243	30.9
+C	 1.2057943816	-2.4440491352	-1.1679195428	-0.40837
+C	 1.0998704206	-1.124973466	-0.4142420004	-0.141044
+C	 1.9048647101	 0.0774316703	-0.966938688	-0.080613
+O	 2.6503097293	 0.2123622111	 0.2654535052	-0.312131
+C	 1.9800684409	-0.9146739498	 0.8211113274	 0.475658
+C	 1.5482104234	-1.0329584598	 2.2493757407	-0.248833
+C	 2.6903545336	-0.5520815243	 3.1414306035	-0.086996
+O	 3.6478874868	-1.4229167394	 2.4801245979	-0.283935
+C	 2.6205992718	-1.9663826881	 1.6567386234	-0.002104
+H	 0.7505456887	-3.2655330235	-0.6044392271	 0.120719
+H	 0.6884357452	-2.3802915332	-2.1310675875	 0.119901
+H	 2.2510017742	-2.7050583268	-1.3619754465	 0.127223
+H	 0.0509497571	-0.8766176779	-0.226117494	 0.085126
+H	 2.5619723494	-0.160490999	-1.812708716	 0.103694
+H	 1.3311518563	 0.9819506075	-1.1963236811	 0.105378
+H	 0.5238493942	-1.2034579515	 2.5585578729	 0.09539
+H	 2.9671662129	 0.5046130171	 3.0639274567	 0.121288
+H	 2.5795919632	-0.839026716	 4.1924926506	 0.10871
+H	 2.6520582907	-3.0305249956	 1.4439707551	 0.100939
+19
+0 4414	3.4201433	1.2704037	1.1153797	2.1709	75.16	-0.23489	0.06763	0.30252	1144.978	0.156386	-422.483246	-422.474996	-422.474052	-422.516232	30.911
+C	 0.0544826202	 0.112737131	 0.0610719435	-0.403052
+C	 1.5418549203	-0.069979278	-0.1734631053	 0.074075
+O	 1.8255268839	-1.1248261369	-1.1273980212	-0.298915
+C	 2.7023232848	-1.8160610894	-0.2066888907	-0.144257
+C	 2.3865938283	-0.7973522865	 0.8786029066	 0.268931
+C	 3.2388075559	-0.1531423935	 1.940320252	-0.225746
+C	 4.0502977875	-1.2354289613	 2.6457918924	-0.091191
+O	 2.8589351667	-2.0409566085	 2.8729820692	-0.287909
+C	 2.04188138	-1.0096337676	 2.3107958558	 0.020212
+H	-0.1287080914	 0.8986059733	 0.8026630552	 0.113859
+H	-0.434947079	 0.4088194737	-0.871936678	 0.129655
+H	-0.4020897528	-0.817413427	 0.4106902378	 0.124003
+H	 1.9914423922	 0.8772294754	-0.5081897664	 0.074116
+H	 2.3759136282	-2.8438938886	-0.0117722107	 0.115241
+H	 3.7414252057	-1.8265169294	-0.5622629734	 0.09878
+H	 3.3973773268	 0.9158395299	 2.0044204492	 0.101485
+H	 4.8102327201	-1.7684726531	 2.0621634149	 0.109272
+H	 4.4769211898	-0.9109163392	 3.6010451359	 0.113909
+H	 1.089218473	-0.7973811643	 2.7829190132	 0.107532
+19
+0 4415	3.2296158	1.310695	1.1246593	0.7561	75.31	-0.23329	0.06829	0.30158	1130.1032	0.156952	-422.493805	-422.485672	-422.484728	-422.526542	31.246
+O	 0.2166700923	 0.0591387871	 0.040758232	-0.427779
+C	-0.8838483424	 0.9357256202	 0.0405807597	 0.067538
+C	-1.0053992266	 2.0240188967	 1.146363165	-0.257169
+C	-2.5291010415	 1.7161412457	 1.2565566208	-0.311165
+C	-2.2722304177	 0.4268648419	 0.4695130739	 0.295514
+C	-3.1732638754	-0.4864689383	-0.320041102	-0.233697
+C	-4.4640023454	-0.7116500544	 0.4644032486	-0.091682
+O	-3.7234298701	-1.084932284	 1.6617278797	-0.290016
+C	-2.49378387	-0.9749788325	 0.9416278295	 0.031284
+H	 0.3338748885	-0.264588619	 0.9404883754	 0.27856
+H	-0.9067536699	 1.3718019711	-0.963797204	 0.093296
+H	-0.4639737379	 1.7223614013	 2.0490776806	 0.097603
+H	-0.7054369446	 3.040160657	 0.8827982567	 0.104273
+H	-2.94156283	 1.5907913885	 2.2593611359	 0.117914
+H	-3.1448775631	 2.435172094	 0.7079677564	 0.104046
+H	-2.9994209784	-0.741195476	-1.3576159891	 0.101143
+H	-5.1186721026	 0.1517522241	 0.6318933779	 0.106658
+H	-5.0547541221	-1.5611980117	 0.1046721179	 0.111289
+H	-1.7273183231	-1.7211185418	 1.1191752152	 0.102389
+19
+0 4416	3.3171983	1.3228669	1.1530275	0.5282	75.49	-0.23295	0.06956	0.30251	1121.7794	0.15711	-422.500885	-422.492683	-422.491739	-422.533843	31.177
+O	 0.6370869616	 0.2384648383	 0.6288653459	-0.422153
+C	-0.6685253447	-0.1897132433	 0.9107311387	-0.016499
+C	-1.8166356687	 0.2263789001	-0.0423077609	-0.1118
+O	-2.5564655835	 0.8280458404	 1.0439488783	-0.318604
+C	-1.4849875361	 0.5685452425	 1.9609132702	 0.436634
+C	-1.6491948504	 0.2521533973	 3.3988518211	-0.151785
+C	-2.7832867552	 1.0975021079	 3.9946446575	-0.232526
+C	-2.0602980572	 2.399923628	 3.5197029517	-0.232362
+C	-0.9261705281	 1.5516299502	 2.9305075707	-0.152253
+H	 0.6188515775	 1.196779445	 0.5264940402	 0.283984
+H	-0.5996303731	-1.2659809641	 1.084458989	 0.105751
+H	-1.5119204777	 0.9632858244	-0.7977432345	 0.096155
+H	-2.3795737095	-0.5791826742	-0.525302681	 0.1103
+H	-1.235508808	-0.6515172251	 3.8346083469	 0.085907
+H	-3.7763971125	 0.9083513246	 3.5784806852	 0.11289
+H	-2.8347994692	 1.0276607481	 5.082846868	 0.104021
+H	-2.5997041441	 3.0224904243	 2.8006016608	 0.110391
+H	-1.7351547215	 3.0222253355	 4.3554904144	 0.104096
+H	 0.1311354103	 1.7949840702	 2.9511491778	 0.087853
+19
+0 4417	3.0492795	1.2636646	1.0809344	4.172	75.68	-0.27098	0.01381	0.28479	1176.748	0.156267	-422.581602	-422.573034	-422.57209	-422.614988	32.138
+C	-2.9006027602	 1.199730075	-2.0509489418	-0.4162
+C	-3.1276194675	 0.1716314559	-0.9547939505	-0.020521
+C	-4.1048923604	 0.4908864849	 0.2160889018	-0.237795
+C	-3.098180883	-0.1758868211	 1.1951861191	-0.28499
+C	-2.0203897256	-0.0615135435	 0.1030167417	 0.433891
+C	-0.7891021086	-0.9600111526	-0.0623669668	-0.514438
+C	-0.0069379445	 0.3346685452	 0.1482179497	 0.442151
+O	 1.1263297642	 0.6894704793	 0.1960185122	-0.319334
+O	-1.1322547246	 1.1053627722	 0.2936834515	-0.271289
+H	-2.5935519097	 2.1596525857	-1.6272592331	 0.13744
+H	-2.1204832255	 0.8779073018	-2.7496408387	 0.118152
+H	-3.8184537231	 1.3549361161	-2.6274621817	 0.118275
+H	-3.3855722544	-0.8010858446	-1.3913939826	 0.081007
+H	-4.185818358	 1.5675063284	 0.3882462155	 0.116716
+H	-5.1087746055	 0.0657796784	 0.1598764718	 0.10248
+H	-2.8772850484	 0.3361285908	 2.1336773472	 0.120369
+H	-3.3457554201	-1.2203972114	 1.4051469933	 0.110498
+H	-0.6321973946	-1.7113137609	 0.7143471442	 0.142145
+H	-0.6521991905	-1.4153629495	-1.0456267429	 0.14144
+19
+0 4418	3.1189019	1.1875656	1.0192097	3.1322	75.62	-0.2358	-0.02242	0.21338000000000001	1216.1372	0.15488	-422.547392	-422.538579	-422.537635	-422.58169	32.737
+C	-3.211189995	-1.2247168635	-2.0109871827	-0.414502
+C	-3.1413775463	-0.0203621029	-1.0851710619	-0.105333
+C	-4.132046779	 0.0295128951	 0.0977889889	-0.087628
+O	-3.0538902784	 0.1163518165	 1.0532145795	-0.315818
+C	-2.0566723746	 0.0215198155	 0.0252352322	 0.43528
+C	-0.9808466904	-1.0923271669	 0.1891099383	-0.416051
+C	 0.0898349095	-0.023381842	-0.0753043633	 0.405708
+O	 1.2567305172	-0.0630270951	-0.336343879	-0.292573
+C	-0.9441428962	 1.1074285209	 0.0250810077	-0.415237
+H	-3.2277275684	-2.163106467	-1.4467395786	 0.124235
+H	-4.1201725026	-1.1882701229	-2.6208632161	 0.122945
+H	-2.3567720891	-1.2564404646	-2.6954834271	 0.125132
+H	-3.1456852987	 0.9036736305	-1.6707447307	 0.084294
+H	-4.794123804	 0.9014474929	 0.1466319809	 0.105154
+H	-4.7285482034	-0.881147827	 0.2396155912	 0.100803
+H	-0.9507940531	-1.4536471419	 1.2230525884	 0.144235
+H	-0.9977178038	-1.9511062276	-0.4860912339	 0.128232
+H	-0.894249133	 1.6205258855	 0.9920671581	 0.144902
+H	-0.9446482507	 1.8537232644	-0.774353702	 0.126222
+19
+0 4419	3.401726	1.0954697	0.9763997	1.3683	75.71	-0.24526	-0.02677	0.21849000000000002	1248.9979	0.154815	-422.544762	-422.535906	-422.534962	-422.579284	32.643
+C	-3.3609061251	-1.1902572289	-1.9633450905	-0.407744
+C	-3.2255319956	-0.0256120735	-1.0050956424	 0.102639
+O	-4.19653369	-0.080010751	 0.067580381	-0.293442
+C	-3.172669146	 0.069004149	 1.06795505	-0.126397
+C	-2.0549463604	 0.008034932	 0.0090706237	 0.264873
+C	-0.9748300873	-1.1117200229	 0.0855320937	-0.421976
+C	 0.0913222256	-0.0106378616	 0.2091940526	 0.409304
+O	 1.2612017777	-0.0124164384	 0.4548715498	-0.285909
+C	-0.9458043806	 1.0955764747	-0.0447774651	-0.426713
+H	-3.2560588959	-2.145716554	-1.4407030449	 0.123848
+H	-4.3476014019	-1.1670500197	-2.4363269355	 0.13316
+H	-2.6057775478	-1.134830064	-2.7554800818	 0.116408
+H	-3.3172632368	 0.9245895126	-1.5537815179	 0.072578
+H	-3.2518733237	 1.0269309114	 1.6005055643	 0.100309
+H	-3.1917372918	-0.7474654095	 1.8010821788	 0.104251
+H	-1.0357529316	-1.8072652848	 0.9279979727	 0.132912
+H	-0.8613933646	-1.6971768905	-0.8332118	 0.135614
+H	-0.9854190934	 1.8894921395	 0.7073153402	 0.133065
+H	-0.8273430907	 1.5619192996	-1.0299000887	 0.133222
+19
+0 4420	3.1833225	1.1355047	1.0050948	2.9182	75.94	-0.24185	-0.01882	0.22303	1224.8829	0.155601	-422.55457	-422.545914	-422.54497	-422.588153	32.944
+O	-3.1041685168	-0.7908006537	-2.1300322035	-0.426196
+C	-3.2201256353	 0.0452924956	-1.0086515562	 0.093626
+C	-4.1967108468	-0.3073785863	 0.141203396	-0.264741
+C	-3.1481843848	 0.2648849911	 1.1344860165	-0.292871
+C	-2.0670671493	 0.1132109336	 0.0323201994	 0.31007
+C	-1.1033572054	-1.110319333	 0.1364274187	-0.418811
+C	 0.0513892757	-0.1088000149	 0.3022156987	 0.408998
+O	 1.1842723048	-0.2078524409	 0.6718861629	-0.289058
+C	-0.8514565141	 1.0732936952	-0.0789823497	-0.431858
+H	-3.1019130184	-1.7042160198	-1.8244259536	 0.281603
+H	-3.4242309597	 1.0455318839	-1.4060882134	 0.094681
+H	-5.1959852892	 0.1321111581	 0.1221773919	 0.10718
+H	-4.2938484014	-1.3938172686	 0.2484364675	 0.097197
+H	-3.3394395891	 1.3155217563	 1.371442063	 0.108917
+H	-2.9887046725	-0.2793309013	 2.0681558052	 0.107072
+H	-1.2470794429	-1.8297702226	 0.947326625	 0.125138
+H	-1.0127703564	-1.6518166073	-0.8135047743	 0.127005
+H	-0.8180205239	 1.9398353534	 0.5878314292	 0.126448
+H	-0.6659255945	 1.4127194613	-1.1051690534	 0.135599
+19
+0 4421	2.7854003	1.096443	1.0235447	2.9247	77.25	-0.25729	-0.04004	0.21725000000000003	1270.7177	0.154585	-422.53625	-422.527077	-422.526133	-422.570754	33.203
+C	 1.1245513216	 0.9610202473	 0.5568986796	-0.391174
+C	 0.8936639623	-0.4583835926	 0.0437746687	-0.094251
+C	 1.4804932262	-1.5970599835	 0.9407539514	-0.228775
+C	 2.6410689542	-1.815062313	-0.0780343895	-0.31822
+C	 1.8912935757	-0.8981157243	-1.0456496244	 0.449861
+O	 2.5055906016	-0.0332102931	-1.9703404208	-0.274286
+C	 1.6897928443	-1.0951717722	-2.5000874697	-0.158117
+C	 0.4186293731	-0.656682578	-3.1428638035	 0.151032
+O	-0.1733912647	-1.3046993346	-3.9684173265	-0.250436
+H	 0.5003241789	 1.15821878	 1.4341257876	 0.118727
+H	 2.1700437143	 1.1157485501	 0.8443562735	 0.121372
+H	 0.8821346873	 1.7018787804	-0.2106878181	 0.128452
+H	-0.159345581	-0.5932905874	-0.2197752333	 0.083523
+H	 1.7810472246	-1.2909626829	 1.9448075513	 0.107577
+H	 0.8179099196	-2.4608758324	 1.0215570897	 0.111882
+H	 3.5886087758	-1.3727948271	 0.2415609114	 0.124183
+H	 2.8275386811	-2.8380531864	-0.4114893349	 0.115557
+H	 2.2213587368	-1.9013377158	-3.0034951782	 0.115368
+H	 0.0557748783	 0.3334308753	-2.7882972243	 0.087723
+19
+0 4422	2.6276282	1.1318096	1.062618	4.1506	77.66	-0.23444	-0.01412	0.22032000000000002	1249.2281	0.154855	-422.531808	-422.522648	-422.521704	-422.566299	33.113
+C	 2.5682044108	 1.4796309406	-0.270302401	-0.413323
+C	 1.7059080185	 0.233660854	-0.1456402415	-0.116782
+C	 2.0906173071	-1.0069644519	-0.9887561238	-0.085493
+O	 2.158014233	-1.8428834508	 0.19320762	-0.30365
+C	 1.9385892793	-0.7165098072	 1.0325062702	 0.445175
+C	 1.2966636031	-0.8442762471	 2.3514358907	-0.377673
+C	 2.7892575525	-0.4698176592	 2.2715359911	-0.192371
+C	 3.7874332496	-1.4861666032	 2.6701265536	 0.171853
+O	 4.861748705	-1.2297545108	 3.1583272571	-0.274897
+H	 2.3080801845	 2.2222586235	 0.4913128676	 0.124035
+H	 3.6301409271	 1.2394238384	-0.1588034413	 0.132579
+H	 2.4265130201	 1.9495654171	-1.2490522156	 0.123377
+H	 0.6466020366	 0.4869437187	-0.2508742549	 0.092068
+H	 1.3433719615	-1.3745717269	-1.6987212712	 0.112065
+H	 3.0654708517	-0.9339568515	-1.4863114253	 0.109689
+H	 0.6100211907	-0.0773111348	 2.6933176834	 0.129707
+H	 1.0690542302	-1.8506699005	 2.6908966487	 0.135373
+H	 3.0705203078	 0.5545565236	 2.4929920891	 0.106729
+H	 3.4741031809	-2.5365467619	 2.4810128432	 0.081541
+19
+0 4423	2.5557774	1.4081259	1.1379195	2.7332	76.8	-0.24538	-0.03126	0.21411999999999998	1137.0521	0.155184	-422.534243	-422.525204	-422.52426	-422.568169	32.813
+C	 2.592053572	 1.3591943409	-0.282786143	-0.411142
+C	 1.8631539168	 0.0377331273	-0.1700620836	 0.105106
+O	 2.2749776614	-0.7412201595	 0.9911227502	-0.299288
+C	 2.6060990351	-1.8903518153	 0.189783695	-0.141076
+C	 2.2867396447	-1.117947079	-1.0828799903	 0.283023
+C	 3.0205491238	-1.0779718005	-2.3624550095	-0.340772
+C	 1.5945709694	-1.6356257456	-2.3368678011	-0.188544
+C	 0.5217034792	-0.8056623986	-2.9283543945	 0.143143
+O	 0.5250757085	 0.4055053671	-2.936036899	-0.27473
+H	 2.3698270429	 1.9836657917	 0.5879952244	 0.125718
+H	 3.6745002944	 1.2082592699	-0.3328221695	 0.114665
+H	 2.2589963213	 1.8853179905	-1.1820829416	 0.141529
+H	 0.7785932125	 0.2026530655	-0.1512384456	 0.085816
+H	 3.6519575079	-2.1992728595	 0.316771888	 0.105945
+H	 1.9513105356	-2.7470074942	 0.4004801662	 0.101414
+H	 3.1326204207	-0.1168223922	-2.853382971	 0.144013
+H	 3.8212382918	-1.7905127111	-2.5311544654	 0.123808
+H	 1.4692949247	-2.7103869967	-2.4243667009	 0.09711
+H	-0.3242891927	-1.3722355507	-3.374892249	 0.084262
+19
+0 4424	2.6041021	1.5068683	1.1560053	3.2256	77.48	-0.25038	-0.03299	0.21739	1105.2129	0.156392	-422.54757	-422.539019	-422.538075	-422.580487	32.528
+O	 1.6338636687	-1.6352752034	-3.2179805181	-0.441701
+C	 0.448043903	-1.1938331498	-2.6284320031	 0.104365
+C	-0.8507808813	-1.8950226472	-3.0943258442	-0.240899
+C	-1.3532684876	-1.8892813625	-1.6167179131	-0.318135
+C	 0.1035315025	-1.6648312739	-1.2032433565	 0.331742
+C	 0.9538554493	-2.582337058	-0.4258127707	-0.322025
+C	 0.7111598396	-1.1606980095	 0.1047419901	-0.21106
+C	 1.8207145202	-0.196184981	 0.0122105107	 0.144504
+O	 2.6272143624	-0.1480736268	-0.8971763526	-0.292287
+H	 2.3432171403	-1.1823095583	-2.7389185158	 0.297021
+H	 0.3420988899	-0.1007060796	-2.6995966582	 0.068727
+H	-1.4591285412	-1.3847608051	-3.8427603766	 0.102106
+H	-0.6219681694	-2.9075568421	-3.4345662085	 0.119788
+H	-1.9938145379	-1.0298852871	-1.3983552764	 0.108831
+H	-1.8384361982	-2.7953326273	-1.2473607695	 0.107617
+H	 0.493050593	-3.3869172495	 0.1378290678	 0.121822
+H	 1.9503720379	-2.7828725124	-0.8061334718	 0.138
+H	 0.0589205411	-1.0523319386	 0.9652447961	 0.093826
+H	 1.8928832176	 0.5288955321	 0.8505937904	 0.087758
+19
+0 4425	3.0010051	1.3967447	1.2272531	3.4749	74.6	-0.23532	0.06796	0.30328	1092.9167	0.156038	-422.496387	-422.488111	-422.487167	-422.529689	31.152
+C	 1.9171428582	 1.4218016666	-0.7094428163	-0.411063
+C	 1.6889626092	 0.0617137348	-0.0638098035	-0.120075
+C	 2.8233467841	-0.5123519627	 0.8128501854	-0.086075
+O	 2.9058388598	-1.7021857746	 0.0024223735	-0.311652
+C	 1.9079647717	-1.223378396	-0.905571401	 0.44254
+C	 0.6956014845	-2.1498140034	-1.2723470072	-0.338371
+C	 1.0787028123	-1.9692322366	-2.745251446	 0.032162
+O	 2.4037266578	-2.4843690146	-2.8782458079	-0.240519
+C	 2.2504234541	-1.1414432687	-2.4017659676	-0.049815
+H	 1.8829101588	 2.2152357555	 0.0446946292	 0.121024
+H	 2.8955357845	 1.4740856457	-1.1985134514	 0.122769
+H	 1.1513917746	 1.6456419906	-1.4596194185	 0.121311
+H	 0.7203774899	 0.0451136896	 0.4441792627	 0.083002
+H	 3.7578818826	 0.0637573997	 0.788846444	 0.099063
+H	 2.5725022635	-0.7411791466	 1.8550658253	 0.10299
+H	 0.7646966821	-3.1768764661	-0.9083122099	 0.122361
+H	-0.2648603826	-1.7101956185	-0.9896415207	 0.103761
+H	 0.4513088597	-1.9535974925	-3.6280619932	 0.105718
+H	 2.7635298153	-0.3632017722	-2.9548989768	 0.100868
+19
+0 4426	3.0658835	1.3465278	1.2029237	2.2784	74.38	-0.24359	0.0764	0.31999	1101.5557	0.15606	-422.495697	-422.487447	-422.486503	-422.528764	31.109
+C	-0.0059285263	 0.0014645929	-0.1878880159	-0.40531
+C	 1.4987193127	 0.0278578682	-0.0025055776	 0.090833
+O	 1.9021491314	-0.4271745997	 1.3104153837	-0.297995
+C	 2.7504043744	 0.7261699064	 1.4999690532	-0.126985
+C	 2.2357067618	 1.3735972072	 0.2067102916	 0.269108
+C	 3.1454651718	 1.9873983674	-0.908273113	-0.349547
+C	 2.3548218464	 3.2951552797	-0.7717384626	 0.039995
+O	 2.4560639764	 3.7060831594	 0.5970713259	-0.249297
+C	 1.4800862757	 2.710846371	 0.2556703511	-0.055516
+H	-0.5083779927	 0.5927700892	 0.5829231064	 0.121341
+H	-0.2841491085	 0.3921390559	-1.1729453043	 0.115727
+H	-0.3705918875	-1.0278219751	-0.1151918611	 0.13075
+H	 1.9824708347	-0.58016896	-0.7830897911	 0.06947
+H	 2.529954789	 1.2587945171	 2.4319675982	 0.111784
+H	 3.8154450741	 0.4584432291	 1.4841514393	 0.099531
+H	 4.2154094759	 2.0584781064	-0.6955894428	 0.113069
+H	 2.9945082991	 1.4911341809	-1.871772936	 0.109252
+H	 2.1669584676	 4.0671977391	-1.5083513705	 0.107256
+H	 0.4503175239	 2.9168536249	 0.5226027457	 0.106535
+19
+0 4427	3.0761303	1.430869	1.2421518	2.413	74.56	-0.242	0.07313	0.31513	1075.9853	0.155981	-422.494112	-422.485875	-422.484931	-422.527167	31.228
+C	 0.1748927065	 0.0960747693	 0.3935701741	-0.396367
+C	 1.083593878	-0.406051273	-0.7105965272	 0.087956
+O	 2.4821128587	-0.1002355628	-0.4657176133	-0.298123
+C	 2.5785156582	 0.7006543907	-1.6591761609	-0.136077
+C	 1.1192620806	 0.3989733503	-2.0301408347	 0.364402
+O	 0.2369597475	 1.5403805373	-2.1721908822	-0.320076
+C	-0.0921297473	 1.1337892228	-3.5065293186	 0.100735
+C	-0.7868747401	-0.1879656611	-3.4989517479	-0.305185
+C	 0.7279198453	-0.1275512261	-3.4020058173	-0.211986
+H	 0.4645562027	-0.3611187928	 1.3446919492	 0.123372
+H	 0.2389671025	 1.1825690006	 0.4889546412	 0.133131
+H	-0.8667072622	-0.1691576425	 0.1855739093	 0.117116
+H	 0.9493156052	-1.485449501	-0.8678303838	 0.075202
+H	 2.7694144488	 1.7591843438	-1.4455386427	 0.112023
+H	 3.3381922188	 0.3228414156	-2.3554853648	 0.099656
+H	-0.1755104129	 1.9020666479	-4.2652283585	 0.109648
+H	-1.3909794601	-0.4720137297	-2.6419692384	 0.120545
+H	-1.1595762997	-0.5296106488	-4.4598925842	 0.11847
+H	 1.3919104496	-0.6076340804	-4.1078461993	 0.105559
+19
+0 4428	3.077084	1.3797925	1.1521873	1.9188	74.71	-0.24606	0.06206	0.30812	1101.9954	0.156577	-422.504185	-422.496058	-422.495114	-422.536756	31.523
+O	-0.6203790987	 0.3656988494	 0.8639378105	-0.421562
+C	-1.8925948408	 0.841397162	 0.4925202303	 0.065912
+C	-2.5406566987	 0.0991251413	-0.6908074541	-0.241268
+C	-3.9103242656	 0.2329379129	 0.0312974831	-0.297315
+C	-3.1468295718	 0.4852110543	 1.353367664	 0.319048
+C	-2.9547756473	-0.6599843142	 2.4103341572	-0.32808
+C	-3.4449143457	 0.32079952	 3.4830077325	 0.038128
+O	-4.7580383997	 0.74787756	 3.1028679499	-0.247545
+C	-3.6307859284	 1.3897355686	 2.4878282312	-0.087301
+H	-0.2327660439	 0.9788098944	 1.4962820938	 0.284838
+H	-1.8681372746	 1.9256123908	 0.3055263012	 0.067831
+H	-2.4265996099	 0.5312517372	-1.6869732873	 0.098946
+H	-2.1943619751	-0.9378981167	-0.709419679	 0.117295
+H	-4.4692504478	 1.1153251455	-0.294114756	 0.104011
+H	-4.5787244715	-0.6290911885	 0.0080685083	 0.110309
+H	-3.5683048017	-1.5559385224	 2.2873642412	 0.10611
+H	-1.9017495082	-0.9336309695	 2.509426179	 0.118
+H	-3.1956553681	 0.3705430034	 4.5367117673	 0.101243
+H	-3.5707192224	 2.4701743213	 2.5752440771	 0.0914
+19
+0 4429	2.92382	1.5740699	1.2856371	2.2613	74.62	-0.24098	0.06476	0.30574	1037.1978	0.157056	-422.504874	-422.497032	-422.496087	-422.536959	31.193
+O	-0.5308492046	-0.2384905337	 0.4772590898	-0.438489
+C	-1.8175279021	-0.3511832716	-0.0609436419	 0.104086
+C	-2.6171013532	 0.9234907913	-0.4731023226	-0.264855
+C	-3.8833876478	 0.2758202818	 0.1591204895	-0.298088
+C	-2.9588884169	-0.6781800391	 0.9362791971	 0.420445
+O	-2.622393929	-0.1751823809	 2.2748719668	-0.351835
+C	-3.0514060291	-1.4193706182	 2.8490945872	 0.107469
+C	-2.2170490128	-2.5593655326	 2.3601231098	-0.31112
+C	-3.3579765779	-2.0292748037	 1.5067944131	-0.233858
+H	-0.6596691092	 0.097515107	 1.375650669	 0.286696
+H	-1.7779629865	-1.0786945243	-0.8783927832	 0.089898
+H	-2.2789992724	 1.7914107451	 0.098689609	 0.112761
+H	-2.647439851	 1.1822311964	-1.5330888654	 0.100612
+H	-4.5332699923	 0.9067137054	 0.7675058533	 0.114776
+H	-4.4881286324	-0.2667155092	-0.5740373947	 0.105338
+H	-3.5957849229	-1.3765671813	 3.7844860165	 0.108179
+H	-1.1873297509	-2.3872727284	 2.0637621817	 0.132808
+H	-2.4151973395	-3.5168338535	 2.8322553583	 0.115293
+H	-4.1928027994	-2.6322876106	 1.1768325665	 0.099884
+19
+0 4430	2.9833096	1.397594	1.2341458	0.7366	75.03	-0.24564	0.06503	0.31067	1086.0277	0.156901	-422.50805	-422.499885	-422.498941	-422.541023	31.324
+O	 0.4198065159	 0.2890836562	 0.0250934191	-0.420208
+C	-0.7424811613	-0.1967604615	 0.6392246489	 0.003749
+C	-1.0866484487	 0.2577552589	 2.0727616561	-0.119291
+O	-2.4126804281	 0.6423455292	 1.6662663762	-0.317541
+C	-2.1242908287	 0.4093384051	 0.2695057467	 0.405391
+C	-3.1606775931	-0.3782090635	-0.5829010076	-0.318588
+C	-3.2028342692	 0.7969908936	-1.5663639333	-0.032752
+C	-3.6293817855	 2.0388406693	-0.8432393731	-0.286975
+C	-2.20157249	 1.5783593067	-0.7075026488	-0.109702
+H	 0.4683553021	 1.2394290713	 0.1754726184	 0.284353
+H	-0.7146773725	-1.2823452608	 0.516971515	 0.102183
+H	-1.0948130913	-0.505752438	 2.8586962384	 0.107847
+H	-0.4872409908	 1.1146805036	 2.4150595394	 0.089304
+H	-2.7312002677	-1.2943317633	-0.9977069199	 0.106755
+H	-4.1004719776	-0.6185496638	-0.0760314652	 0.105867
+H	-3.2299687661	 0.7138689233	-2.6450015505	 0.089283
+H	-3.7648650027	 2.9223697789	-1.4586162202	 0.111846
+H	-4.3020679785	 1.9765885757	 0.0081857544	 0.122703
+H	-1.3704259162	 2.197141629	-1.0251242043	 0.075776
+19
+0 4431	2.9726885	1.3547598	1.2119287	2.3095	76.12	-0.2366	0.03181	0.26841	1102.7972	0.156857	-422.551301	-422.542886	-422.541942	-422.584633	31.717
+O	 0.4417840695	 0.4335885364	 0.2130841587	-0.42343
+C	-0.7045079656	-0.1658213632	 0.7625334832	-0.003248
+C	-1.2967837775	 0.4066317174	 2.0663969829	-0.111721
+O	-2.5877785054	 0.5447859706	 1.445007092	-0.317295
+C	-2.0374022582	 0.28335646	 0.1183510028	 0.419167
+C	-2.888980938	-0.7385772897	-0.6633155749	-0.328764
+C	-3.5807234278	 0.088682226	-1.7169938865	-0.066917
+C	-3.1033846939	 1.330998316	-1.7639737566	-0.0656
+C	-2.0066129305	 1.5605358398	-0.7557914791	-0.30897
+H	 1.2210761536	 0.0257253912	 0.6022371584	 0.290052
+H	-0.61261425	-1.2596444309	 0.7868006297	 0.075497
+H	-1.3289606676	-0.2443519401	 2.9476474385	 0.097176
+H	-0.854617918	 1.3752650774	 2.3375256399	 0.097861
+H	-2.2560114148	-1.5168280922	-1.1132253055	 0.105709
+H	-3.5768023908	-1.2449827898	 0.0232074903	 0.117729
+H	-4.3562190853	-0.3128695207	-2.359466493	 0.089913
+H	-3.4312931505	 2.1028219073	-2.4515401606	 0.090187
+H	-1.0287544605	 1.6841088885	-1.2364444498	 0.128482
+H	-2.1691062088	 2.444347366	-0.1291650604	 0.114172
+19
+0 4432	2.4974972	1.342788	1.2370007	4.1513	75.06	-0.26433	0.00645	0.27078	1132.1251	0.15717	-422.57427	-422.565718	-422.564774	-422.607685	31.632
+C	-1.9727544711	 2.2102637352	-2.0731248424	-0.421804
+C	-0.9724289858	 2.2130115334	-0.9289558912	-0.014044
+C	-1.1702622655	 3.1991587861	 0.2561198977	-0.236493
+C	-0.7189724004	 2.0746137815	 1.2236905	-0.291927
+C	-0.9566051659	 1.0357250934	 0.0971070894	 0.112993
+C	-2.0698437043	-0.0236337229	 0.1891279237	-0.142583
+O	-1.0792435515	-1.0897288046	 0.004363326	-0.250034
+C	-0.0549870018	-0.1779138222	-0.0853505639	 0.420652
+O	 1.10304055	-0.3935367345	-0.2535944577	-0.338615
+H	-3.0033278021	 2.1337129168	-1.7091808844	 0.114623
+H	-1.8962620974	 3.139436642	-2.6478777753	 0.12514
+H	-1.7946542294	 1.3788050465	-2.7640145361	 0.12726
+H	 0.0447476657	 2.3114810284	-1.3240652808	 0.101178
+H	-0.5878335107	 4.122867439	 0.2459964813	 0.106568
+H	-2.2259504604	 3.4549288515	 0.3922811868	 0.102881
+H	 0.343470806	 2.1372748462	 1.4731524675	 0.129708
+H	-1.2891585681	 1.933379944	 2.1448552485	 0.108781
+H	-2.5627485054	-0.12047183	 1.1595548382	 0.121463
+H	-2.8041686016	-0.0423801	-0.6184979672	 0.124252
+19
+0 4433	2.535631	1.4676002	1.2124063	1.2091	76.13	-0.24934	-0.02976	0.21958	1112.7813	0.155615	-422.545738	-422.536941	-422.535997	-422.579404	32.406
+C	-2.5710688592	 2.1998532126	 1.6886520543	-0.390323
+C	-1.2064104102	 2.0955134213	 1.0148353055	-0.06496
+C	-0.9763883635	 3.0936753039	-0.1594614783	-0.223319
+C	-1.3323969645	 1.9655754872	-1.1670463049	-0.297308
+C	-1.1183246641	 0.9424517288	-0.0312772168	 0.336921
+O	-1.9637930565	-0.2210875979	 0.0825298704	-0.327037
+C	-0.8614845358	-1.1525574225	 0.1142235044	-0.199795
+C	 0.1058456018	 0.0295954942	-0.0314008227	 0.28515
+O	 1.2875766958	 0.1802732732	-0.1092466514	-0.286817
+H	-2.7618521855	 1.3327803893	 2.3271783016	 0.126529
+H	-2.6184406024	 3.1020510362	 2.3072330832	 0.116149
+H	-3.381466621	 2.2512203561	 0.9543234815	 0.121182
+H	-0.4145907514	 2.0731281383	 1.7698877415	 0.081712
+H	-1.6138512329	 3.9805731636	-0.1702659568	 0.102841
+H	 0.0668201968	 3.4054646186	-0.2410394794	 0.11844
+H	-2.3846300172	 1.98023637	-1.4622260354	 0.123277
+H	-0.7124350795	 1.853458451	-2.0592279357	 0.112053
+H	-0.7903806231	-1.704653528	 1.0596708529	 0.132178
+H	-0.8743225776	-1.8609893856	-0.7230159039	 0.133127
+19
+0 4434	2.3124815	1.50202	1.3419188	3.2397	75.58	-0.2272	-0.03307	0.19413000000000002	1085.7968	0.155511	-422.544617	-422.535722	-422.534778	-422.578714	32.491
+C	 0.2173074207	 2.1516076445	 1.9034262514	-0.422894
+C	-0.9680364553	 2.159737858	 0.9500786077	-0.101355
+C	-0.9206169901	 3.1143491478	-0.262666663	-0.085655
+O	-1.1823745975	 2.0281774142	-1.1785346148	-0.312025
+C	-1.0867073943	 1.0534371558	-0.1421280642	 0.350311
+C	-2.1298714266	-0.0936147367	-0.0607210837	-0.316605
+C	-0.9953311906	-1.1333545819	 0.1807090257	-0.347769
+C	 0.011427175	-0.0388085872	-0.2233257502	 0.347163
+O	 1.1593714331	-0.0355355307	-0.5597613349	-0.302091
+H	 0.1396764079	 1.3379895932	 2.6327620073	 0.118986
+H	 1.1597456604	 2.0303545997	 1.3616882002	 0.146982
+H	 0.2631512533	 3.0913506564	 2.4641131611	 0.119856
+H	-1.9078777545	 2.2500883584	 1.5030583383	 0.087383
+H	-1.6915348255	 3.8906018795	-0.3181472467	 0.105227
+H	 0.0630016656	 3.5652928265	-0.4434739946	 0.110145
+H	-2.8862792602	 0.0044695748	 0.7201863938	 0.106796
+H	-2.6236630516	-0.2303115803	-1.0256425835	 0.128354
+H	-0.8779832793	-1.4334854028	 1.2269719252	 0.13167
+H	-0.9872432607	-2.0315288193	-0.440609805	 0.135521
+19
+0 4435	2.5316093	1.3574246	1.2019956	3.0942	75.94	-0.24267	-0.03175	0.21092	1137.5493	0.155463	-422.544552	-422.535593	-422.534649	-422.579356	32.393
+C	-2.1909892195	 2.4474874785	-1.8881220086	-0.405604
+C	-1.0173763752	 2.2350086197	-0.9558789716	 0.106836
+O	-0.9982554057	 3.1850495704	 0.1349900172	-0.292776
+C	-0.9393195082	 2.1318480332	 1.1099465159	-0.122259
+C	-1.0449741701	 1.031934356	 0.030095733	 0.153127
+C	-2.1319572655	-0.0793332429	 0.057814311	-0.326238
+C	-1.0317245492	-1.1871582216	 0.0320978054	-0.346672
+C	 0.0180490937	-0.0678404925	-0.0547501423	 0.34278
+O	 1.210004892	-0.0391415063	-0.1674890052	-0.297199
+H	-3.1423116603	 2.3782499475	-1.3525689812	 0.122398
+H	-2.1239362613	 3.4432065659	-2.3375685775	 0.134544
+H	-2.1852085181	 1.7090623729	-2.697257165	 0.117918
+H	-0.0693322757	 2.2736760949	-1.5101158883	 0.093305
+H	 0.0071252984	 2.1341924202	 1.6652826893	 0.11641
+H	-1.7791479235	 2.1698587563	 1.8153059077	 0.105057
+H	-2.7543395797	-0.0739816132	 0.9553200917	 0.112098
+H	-2.7861910134	-0.0845864305	-0.8162453579	 0.11614
+H	-0.9476933665	-1.7905322318	 0.9410217727	 0.135661
+H	-1.0400490723	-1.8645297666	-0.8266242662	 0.134473
+19
+0 4436	2.4094552	1.3947507	1.2354898	3.4683	76.44	-0.23188	-0.02145	0.21043	1119.4646	0.156127	-422.554327	-422.545528	-422.544584	-422.588444	32.737
+O	-1.7260649249	 2.0191823642	-2.0613667765	-0.417851
+C	-0.9135775994	 2.1421565606	-0.9296542063	 0.10092
+C	-1.2324427329	 3.1992913642	 0.1525050689	-0.267596
+C	-0.790807327	 2.1678641423	 1.2243014541	-0.299641
+C	-0.9484123024	 1.0271386254	 0.1885903342	 0.202153
+C	-2.1359272366	 0.0205253825	 0.1923633917	-0.318642
+C	-1.1546463898	-1.1526451932	-0.1211722548	-0.336286
+C	 0.0013502222	-0.1598723497	 0.0822441977	 0.337856
+O	 1.1926754426	-0.2618336708	 0.172738802	-0.309916
+H	-2.6435304426	 2.1213211623	-1.7872051716	 0.283527
+H	 0.111841581	 2.2418857599	-1.297868288	 0.113472
+H	-0.713345206	 4.1588205489	 0.0980615459	 0.109674
+H	-2.3110211753	 3.3883335934	 0.2034762313	 0.095707
+H	 0.2576180111	 2.2840165377	 1.5118565254	 0.127944
+H	-1.3996468884	 2.0898559513	 2.1274835024	 0.107194
+H	-2.6216075594	-0.0686189451	 1.1668938606	 0.109877
+H	-2.8981781521	 0.1925630993	-0.5708148618	 0.094947
+H	-1.1621934345	-2.0125623282	 0.5536545729	 0.12856
+H	-1.2113816455	-1.5182206751	-1.1514181479	 0.1381
+19
+0 4437	3.0378004	1.3866826	1.2081417	2.6864	77.34	-0.23566	0.00618	0.24184	1102.3603	0.156481	-422.54239	-422.533929	-422.532985	-422.576031	31.32
+C	 0.1564893021	 0.1482718133	 0.3280455489	-0.394589
+C	 1.0652484268	-0.3823681772	-0.7608917805	 0.097026
+O	 2.4705697833	-0.1719959447	-0.4805066005	-0.294092
+C	 2.6466059143	 0.6550524247	-1.6436482104	-0.120197
+C	 1.1738200675	 0.4556248739	-2.0801333484	 0.315578
+O	 0.4075447165	 1.6507294776	-2.1138917336	-0.304941
+C	-0.3769604828	 1.7134311912	-3.3041350646	-0.134343
+C	-0.008113229	 0.4784423295	-4.0745848486	-0.108376
+C	 0.8747985639	-0.227781687	-3.3777269456	-0.144949
+H	 0.3782936824	-0.3595455796	 1.2718419056	 0.121574
+H	 0.2914888028	 1.2235528093	 0.4620305478	 0.132011
+H	-0.8925041488	-0.0387907038	 0.0750752793	 0.113718
+H	 0.8691438307	-1.4487401948	-0.9410683489	 0.067503
+H	 2.8794732514	 1.6964260277	-1.3908670601	 0.108492
+H	 3.4116292835	 0.2619073018	-2.3248547536	 0.095608
+H	-1.4475992003	 1.7463975354	-3.0492239482	 0.110721
+H	-0.1441199581	 2.6403633117	-3.8493203125	 0.11253
+H	-0.4232022359	 0.2350592278	-5.0441177091	 0.112175
+H	 1.3310817895	-1.1685422069	-3.6578845868	 0.11455
+19
+0 4438	2.8616894	1.4557141	1.2754204	2.2463	77.55	-0.23025	0.00814	0.23839000000000002	1070.5755	0.157408	-422.552965	-422.544865	-422.543921	-422.585631	31.366
+O	 0.8197038017	 0.7489398691	 0.6408898824	-0.435966
+C	-0.0064174167	 0.7638217882	 1.7637783807	 0.118974
+C	-1.4451245357	 0.173980414	 1.6879216695	-0.265399
+C	-1.947118448	 1.3956289372	 2.5051326428	-0.274393
+C	-0.6375813072	 2.1535435369	 2.1427067324	 0.368148
+O	-0.7927279518	 2.9150501119	 0.9308142272	-0.333443
+C	-0.2681974657	 4.2340211358	 1.0999976002	-0.137149
+C	 0.2472425413	 4.2676762517	 2.5098507246	-0.098689
+C	 0.0298894142	 3.0925150899	 3.0901919632	-0.165644
+H	 0.4512660961	 1.4224724236	 0.051655847	 0.284296
+H	 0.5571415003	 0.3413556286	 2.6023207644	 0.082157
+H	-1.8135551255	 0.1969597244	 0.6589957995	 0.109254
+H	-1.6049934116	-0.8236921631	 2.101926979	 0.096855
+H	-2.8670071596	 1.883258546	 2.178234986	 0.110184
+H	-2.0094135532	 1.1926619283	 3.5780898441	 0.100988
+H	 0.5210541945	 4.4188154137	 0.3561884498	 0.11204
+H	-1.0637011575	 4.9738008883	 0.9220959119	 0.111214
+H	 0.7180005063	 5.1386001604	 2.9474803269	 0.110419
+H	 0.2868980482	 2.8088030651	 4.1027735283	 0.106154
+19
+0 4439	2.974328	1.3488912	1.1972864	2.0307	77.63	-0.23744	0.01553	0.25297000000000003	1116.4869	0.157032	-422.551365	-422.54285	-422.541906	-422.58499	31.726
+O	 0.4086908421	 0.4513823992	 0.1364104568	-0.423878
+C	-0.7151789992	-0.1626505562	 0.7170425098	-0.008125
+C	-1.2330007177	 0.3676000744	 2.0688785768	-0.110135
+O	-2.534018091	 0.6157391383	 1.5083610983	-0.325616
+C	-2.0639614623	 0.3388796173	 0.1429771362	 0.401639
+C	-2.969958142	-0.6355526366	-0.6337160627	-0.292364
+C	-3.719164935	 0.2134047947	-1.6898315678	-0.264789
+C	-2.959582314	 1.5163556811	-1.6816958408	-0.077402
+C	-2.0508014164	 1.576446858	-0.709940001	-0.08958
+H	 1.2023341336	 0.0504502231	 0.5036171985	 0.288529
+H	-0.6359554994	-1.257714307	 0.6885867791	 0.07322
+H	-1.2711832263	-0.3355154478	 2.909617333	 0.094684
+H	-0.7274263156	 1.2907758737	 2.3838855031	 0.096245
+H	-2.3457824544	-1.3868659244	-1.1287268028	 0.106601
+H	-3.6354856733	-1.1592985717	 0.05616126	 0.112772
+H	-3.7224524771	-0.2609469336	-2.6780293197	 0.105319
+H	-4.7723938073	 0.3742999279	-1.4252061586	 0.114573
+H	-3.1667837508	 2.3123383357	-2.389511456	 0.095842
+H	-1.3987981441	 2.4127553039	-0.4940799324	 0.102464
+19
+0 4440	2.2549838	1.3702872	0.955179	1.3026	77.36	-0.24724	-0.0933	0.15394	1317.5894	0.154858	-422.567794	-422.558257	-422.557312	-422.60316	33.572
+C	-1.6024664397	 3.9695160849	 1.0046538351	-0.409274
+C	-0.8292486736	 3.5265552779	-0.2246316623	 0.034789
+C	-1.2912923231	 3.9983135025	-1.6317658061	-0.229601
+C	-1.021530166	 2.574451523	-2.1825864891	-0.252493
+C	-1.0115789707	 2.0386847417	-0.7319231099	-0.085767
+C	 0.0750615266	 1.0877280926	-0.3353090864	 0.266865
+O	 1.0612913669	 0.8399741667	-0.9947254791	-0.288392
+C	-0.0393973959	 0.4152400052	 1.0417965249	 0.091637
+O	-0.9429882941	 0.6126096865	 1.8117248843	-0.220658
+H	-1.2851516218	 3.4201041548	 1.8961341873	 0.133505
+H	-1.4554722674	 5.0390893881	 1.1919524123	 0.116865
+H	-2.6763915275	 3.7965249022	 0.8739650827	 0.115977
+H	 0.2399504121	 3.7309448966	-0.0981625664	 0.084678
+H	-2.3584686768	 4.2416778362	-1.6330883169	 0.103049
+H	-0.7450037137	 4.8290051846	-2.0842463356	 0.103143
+H	-1.7620956279	 2.1454997818	-2.8602767179	 0.104649
+H	-0.0306736254	 2.4755949855	-2.6315242187	 0.125854
+H	-1.9794137449	 1.6584351907	-0.3941393641	 0.097433
+H	 0.8073421328	-0.2715573816	 1.2548063658	 0.107741
+19
+0 4441	3.6569717	0.8477376	0.7444007	1.9263	78.39	-0.24855	0.02595	0.27449999999999997	1531.9197	0.153813	-422.48449	-422.474589	-422.473645	-422.520543	34.644
+C	-3.0023971851	 3.4632949403	 0.037281491	-0.389818
+C	-2.0256869406	 3.4108275584	-1.1195122601	 0.115271
+O	-0.8295949921	 4.1985785895	-0.8839086823	-0.291052
+C	 0.0303153725	 3.053988806	-1.0341889477	-0.099112
+C	-1.1789020949	 2.1283699515	-1.3029945157	 0.081196
+O	-1.4549897808	 1.1438292238	-0.3407281759	-0.249154
+C	-0.6401882901	-0.0080188639	-0.4799233823	-0.215508
+C	-1.0048543337	-0.9967905452	 0.525043	 0.278048
+C	-1.2842995991	-1.8292792013	 1.3437075556	-0.410813
+H	-3.8878633762	 2.8578524386	-0.1806098818	 0.12037
+H	-2.5445229201	 3.0874772482	 0.9540102341	 0.134019
+H	-3.3205804746	 4.4982321317	 0.1955406367	 0.122617
+H	-2.5140568195	 3.734735904	-2.0485622237	 0.076285
+H	 0.7414101438	 3.1759815593	-1.8606945114	 0.099107
+H	 0.5782496089	 2.8215911198	-0.1118048459	 0.105207
+H	-1.2094248353	 1.6961482371	-2.3130762946	 0.073282
+H	-0.7592642208	-0.4385716991	-1.4888990932	 0.121942
+H	 0.4253700834	 0.2527366409	-0.370811595	 0.124858
+H	-1.5372339957	-2.5613895895	 2.070301462	 0.203255
+19
+0 4442	3.2329044	0.9985839	0.8556601	0.932	77.31	-0.24641	0.02571	0.27212	1378.617	0.155021	-422.495051	-422.485565	-422.484621	-422.530123	34.668
+O	-2.8194873073	 2.8436399989	 1.3589243424	-0.43109
+C	-1.4345162895	 3.0580742436	 1.4265102469	 0.142114
+C	-0.8136898951	 4.2283769537	 0.6104912953	-0.25942
+C	 0.3094765885	 3.2629182078	 0.1373884569	-0.247779
+C	-0.5202628722	 2.0586740854	 0.6356151389	 0.07958
+O	-1.2303267041	 1.4719042871	-0.4481973807	-0.26819
+C	-1.8259569999	 0.2168537614	-0.1305407184	-0.244343
+C	-0.8513487718	-0.8662298133	 0.0163336242	 0.31716
+C	-0.051047809	-1.7543383224	 0.1399067757	-0.453362
+H	-3.015660878	 2.6852976909	 0.4269550749	 0.285448
+H	-1.1723716064	 3.1037618662	 2.4871829756	 0.089223
+H	-1.4733029344	 4.5284579452	-0.2089551025	 0.104033
+H	-0.5193218536	 5.1223128548	 1.1644469657	 0.101751
+H	 0.5341058557	 3.2475145603	-0.930327801	 0.115601
+H	 1.2422869177	 3.3763943933	 0.6947892223	 0.107461
+H	 0.0057517502	 1.285016266	 1.2047443974	 0.079119
+H	-2.435165689	 0.2966876839	 0.7798174857	 0.141326
+H	-2.5028017961	-0.0071837334	-0.9623038752	 0.137917
+H	 0.6518628342	-2.5436441895	 0.244572306	 0.203451
+19
+0 4443	4.3618433	0.7037394	0.6429632	2.612	78.54	-0.24973	0.05713	0.30686	1717.5891	0.154476	-422.503455	-422.493552	-422.492608	-422.539171	35.142
+O	-1.8210030885	 4.8392573321	-1.5195804373	-0.427394
+C	-1.7338192606	 3.58346903	-0.8960665279	 0.030489
+C	-0.5139656086	 3.2862497194	 0.008338866	-0.097988
+O	-0.1693634607	 2.1336247957	-0.7876086227	-0.299878
+C	-1.1410437078	 2.4909600764	-1.804735902	 0.154455
+C	-2.0046209583	 1.3193716087	-2.2267214199	-0.212428
+C	-1.1672132547	 0.1992177595	-2.8782208831	-0.356999
+C	-1.9690907667	-0.9520082919	-3.2717561171	 0.293676
+C	-2.6545196275	-1.8879777086	-3.5866941198	-0.438276
+H	-2.2782568524	 5.446692565	-0.9302271172	 0.289858
+H	-2.6882115125	 3.2859048539	-0.4424907605	 0.078222
+H	 0.2489630935	 4.0741373857	-0.0470514562	 0.101827
+H	-0.7013266415	 3.0218388409	 1.0551035438	 0.101955
+H	-0.6428791478	 2.9459914474	-2.6742567291	 0.083264
+H	-2.5274404886	 0.916473885	-1.3524551564	 0.109722
+H	-2.7665266514	 1.6733937628	-2.9311985727	 0.115672
+H	-0.6430436769	 0.5989664994	-3.7563623045	 0.129032
+H	-0.3890763215	-0.1115121898	-2.1712169703	 0.152977
+H	-3.2470912874	-2.7220984417	-3.8695611331	 0.191815
+19
+0 4444	3.7599732	1.1336964	0.9962989	2.7657	76.76	-0.25581	-0.03446	0.22135	1230.8277	0.15641	-422.571864	-422.563288	-422.562344	-422.605027	32.028
+C	 1.6953817015	 1.5846931454	 0.0928002503	-0.40545
+C	 1.679092056	 0.0567358175	 0.0099594309	 0.004679
+C	 2.4826279967	-0.5234283245	-1.1825370135	-0.23668
+C	 2.936138473	-1.9353437855	-0.7476304083	-0.298962
+C	 3.0438067791	-1.8305180799	 0.7594088786	 0.31046
+O	 3.7193957276	-0.6444309521	 1.2310377963	-0.29025
+C	 2.2967097995	-0.6327357032	 1.2172549893	-0.012985
+C	 3.1895622763	-3.0178353211	 1.6397683454	 0.088024
+O	 3.0541941418	-4.1559065074	 1.2644357476	-0.259347
+H	 1.0990491149	 1.9481013426	 0.9362108644	 0.115541
+H	 2.7195716236	 1.9499605691	 0.218858875	 0.132033
+H	 1.2864812654	 2.02898315	-0.8201882757	 0.119971
+H	 0.6376659039	-0.2899900005	-0.0477802216	 0.082188
+H	 1.897731885	-0.5360669769	-2.1052598001	 0.104213
+H	 3.3598551404	 0.1044218869	-1.360001874	 0.118155
+H	 2.1897107937	-2.7016647471	-0.9818925983	 0.125685
+H	 3.8755957772	-2.244613415	-1.2139466023	 0.118322
+H	 1.823287337	-0.5753122317	 2.1960858706	 0.099575
+H	 3.4367437473	-2.7613584666	 2.6934922754	 0.084827
+19
+0 4445	2.9386531	1.2603634	1.1971949	3.2369	76.09	-0.24161	-0.02557	0.21603999999999998	1138.6546	0.156369	-422.560395	-422.551861	-422.550916	-422.593471	32.061
+C	 2.2912795774	 1.29822275	-0.077993998	-0.399975
+C	 1.5095793264	 0.0007468021	 0.1598375827	-0.012932
+C	 1.7531168365	-1.0514599606	-0.9526181754	-0.115588
+O	 2.8495303529	-1.866091737	-0.5257644192	-0.306229
+C	 2.8800907057	-1.8547553272	 0.8736452875	 0.344499
+C	 1.6064855637	-2.1467895922	 1.6404000235	-0.369311
+C	 2.0115296728	-0.719007298	 1.4051859125	-0.085665
+C	 4.2040775816	-2.1589188431	 1.4574648658	 0.085138
+O	 4.4085289336	-2.2796012801	 2.642279585	-0.275282
+H	 2.1805058024	 1.9882145407	 0.7643774321	 0.120398
+H	 3.3588180026	 1.089532239	-0.2049899812	 0.128606
+H	 1.9375398181	 1.809109019	-0.9789362009	 0.116785
+H	 0.4390066758	 0.2247300782	 0.2262570281	 0.085634
+H	 0.8629464869	-1.6757190252	-1.1055359423	 0.102498
+H	 2.0228300038	-0.6063456458	-1.9144781616	 0.114715
+H	 0.7725742419	-2.5707061032	 1.0917189843	 0.123344
+H	 1.7550427765	-2.5340511102	 2.6420740905	 0.144436
+H	 2.3583859255	-0.1336070063	 2.2491738871	 0.111458
+H	 5.0132078159	-2.2536434202	 0.7017512595	 0.08747
+19
+0 4446	2.7723494	1.274092	1.1987325	2.9383	76.39	-0.24885	-0.02298	0.22587	1138.5275	0.15668	-422.568155	-422.559663	-422.558718	-422.601208	31.901
+C	 1.904037839	-0.9403871185	-1.0256994256	-0.403001
+C	 1.4348227284	 0.0741630473	 0.0169010394	 0.115767
+O	 2.2041561848	 1.2805851546	-0.0173474988	-0.273223
+C	 3.3090136889	 1.1605687175	 0.878092676	-0.162071
+C	 2.8333390108	 0.2459170134	 1.991477871	 0.238558
+C	 1.4472392283	 0.5463302941	 2.5455499273	-0.352871
+C	 1.5779041144	-0.4446906266	 1.4428000922	-0.093344
+C	 3.8012151201	-0.4972865234	 2.815759758	 0.073103
+O	 5.0014394466	-0.4151189123	 2.7045666373	-0.269401
+H	 2.923967596	-1.2806525602	-0.819874437	 0.12545
+H	 1.2483071356	-1.8176027481	-1.0337360336	 0.115395
+H	 1.8856603342	-0.4875767718	-2.0204167968	 0.129543
+H	 0.4029248401	 0.3747667095	-0.2026706633	 0.089974
+H	 4.1936202037	 0.7247199516	 0.3944314849	 0.116358
+H	 3.5651506354	 2.1698602836	 1.2140545037	 0.117234
+H	 1.2230889375	 0.1699773714	 3.5382959268	 0.123914
+H	 1.0425207351	 1.5274457633	 2.3195875912	 0.138925
+H	 1.3982444511	-1.4957672709	 1.6388636984	 0.102943
+H	 3.33695828	-1.1676024545	 3.576710589	 0.066748
+19
+0 4447	2.6946225	1.2519301	1.1979987	2.4034	76.08	-0.25153	-0.02046	0.23106999999999997	1137.4459	0.157361	-422.578008	-422.569603	-422.568658	-422.61094	32.136
+O	-1.1394673453	 2.1498799498	 1.3567465744	-0.432461
+C	-0.8112557701	 0.8625227485	 0.8510277398	 0.133231
+C	-1.9430812607	 0.2405912842	 0.0010874089	-0.269398
+C	-2.8328395302	-0.5384731892	 0.998614705	-0.296268
+C	-1.8926527107	-0.9558306678	 2.1202955676	 0.263219
+C	-0.5684952004	-1.5859546218	 1.7172089366	-0.354208
+C	-0.5981502181	-0.1220647197	 1.9937987196	-0.099959
+C	-2.4281804309	-1.2508019183	 3.4617426002	 0.076223
+O	-3.5956653457	-1.1858328437	 3.7661643228	-0.271185
+H	-1.921758726	 2.0612305588	 1.9128313559	 0.282871
+H	 0.0988573746	 1.019798625	 0.2638069152	 0.093975
+H	-2.4832281747	 1.0202565267	-0.5403190182	 0.115208
+H	-1.5202628408	-0.4360991555	-0.7481614927	 0.106823
+H	-3.6214695735	 0.0922659525	 1.4224541643	 0.119825
+H	-3.3348662618	-1.3909627919	 0.5319987635	 0.112213
+H	-0.0822455953	-2.2147940056	 2.4566475397	 0.125253
+H	-0.4753558375	-1.9484780328	 0.6991286657	 0.126692
+H	-0.0924477517	 0.2524101401	 2.8773444979	 0.104195
+H	-1.6530933208	-1.5368805295	 4.2117810839	 0.063752
+19
+0 4448	2.8111786	1.4412653	1.066535	3.4439	75.76	-0.23745	-0.03265	0.20479999999999998	1158.7485	0.156499	-422.570386	-422.561764	-422.56082	-422.603756	32.213
+C	-0.1581183638	 2.4590949988	-0.5045704709	-0.405027
+C	-1.0017968111	 1.2722939046	-0.0508775152	-0.090315
+C	-1.9913327349	 0.6793935556	-1.0771088462	-0.236263
+C	-2.2860783294	-0.7487748697	-0.5640847763	-0.32882
+C	-0.955442447	-1.1902411956	 0.0162407107	 0.355929
+C	-0.217052053	-2.4145113583	-0.3491693073	-0.233368
+O	-0.8769895487	-2.3016297315	 0.9046954778	-0.267648
+C	-0.1754902317	 0.0615818361	 0.3876573151	 0.344275
+O	 0.9083183506	 0.0768735636	 0.9133460798	-0.324951
+H	 0.5826987012	 2.7092519499	 0.2592502577	 0.140492
+H	 0.3815864932	 2.2229589386	-1.4278716471	 0.119487
+H	-0.7798636551	 3.3393998797	-0.6918590327	 0.115084
+H	-1.5745951495	 1.5588104159	 0.8462896542	 0.11029
+H	-2.8964605284	 1.2809377307	-1.1878436973	 0.109001
+H	-1.5091131252	 0.6315421426	-2.0612796173	 0.107214
+H	-3.0322775218	-0.7204471476	 0.2389898186	 0.120552
+H	-2.6631122204	-1.4178244032	-1.3407975922	 0.110912
+H	-0.6688108805	-3.1026647881	-1.0629134058	 0.117977
+H	 0.8703382256	-2.405021572	-0.3022400458	 0.135178
+19
+0 4449	2.8338949	1.4797869	1.1044486	1.7391	76.79	-0.23666	-0.02189	0.21477000000000002	1138.9271	0.156346	-422.568143	-422.559503	-422.558558	-422.601422	32.418
+C	-0.601342125	 2.349212996	 1.00512743	-0.407809
+C	-0.9952557769	 1.2491900847	 0.0259005347	-0.106651
+C	-2.3464409724	 0.5546628007	 0.2488468658	-0.119228
+O	-2.2231718391	-0.7357400386	-0.3628572133	-0.296572
+C	-0.9024603853	-1.1603988163	-0.1570253916	 0.335522
+C	-0.4080451301	-2.3951069007	-0.8459513705	-0.319496
+C	-0.6082790724	-2.4172006561	 0.6455326158	-0.315778
+C	-0.0436563007	 0.0463669077	 0.0370445659	 0.322586
+O	 1.1520896983	 0.0636311712	 0.1986579411	-0.339368
+H	-0.6945477047	 2.0043546966	 2.0402829833	 0.122378
+H	 0.441068325	 2.6348787575	 0.8418872049	 0.143754
+H	-1.2295083051	 3.2365549351	 0.8846492207	 0.118209
+H	-0.9696236459	 1.6360088978	-1.003278428	 0.114378
+H	-2.5508630743	 0.4509123941	 1.3265110767	 0.097469
+H	-3.1930733815	 1.0594236653	-0.2203956105	 0.11681
+H	-1.1325424347	-2.9158542319	-1.4617922314	 0.132703
+H	 0.6059776074	-2.3645639375	-1.2298363721	 0.137128
+H	-1.474848195	-2.942380935	 1.0304322228	 0.128827
+H	 0.2674210623	-2.4010964705	 1.2849988757	 0.135136
+19
+0 4450	2.7141744	1.5092005	1.1510788	1.9563	76.21	-0.24008	-0.02329	0.21678999999999998	1116.8184	0.156584	-422.568744	-422.560055	-422.559111	-422.602304	32.246
+C	-0.66269364	 2.0666195835	-1.2517856074	-0.403043
+C	-0.7124095951	 1.2671792368	 0.0538425355	 0.02042
+O	-2.0175644491	 0.7886740422	 0.3630428208	-0.269764
+C	-2.1490628848	-0.5720524749	-0.0613502459	-0.185496
+C	-0.7525881103	-1.1562059744	 0.0133215342	 0.220842
+C	-0.3556889513	-2.3352856236	 0.8890483581	-0.290004
+C	-0.3112128512	-2.4631073413	-0.5990089337	-0.303505
+C	 0.1712488023	 0.0173143255	-0.0211337051	 0.317258
+O	 1.3755807256	-0.0057305991	-0.0986788452	-0.340361
+H	-0.984427896	 1.4570038573	-2.1023150919	 0.11997
+H	-1.3207704607	 2.9364582754	-1.183448398	 0.129172
+H	 0.3605878973	 2.4048698174	-1.4385643722	 0.138086
+H	-0.3823517602	 1.8985435364	 0.886824894	 0.110626
+H	-2.8675878932	-1.0571858803	 0.6057908578	 0.114715
+H	-2.5476298036	-0.6201511747	-1.0871204449	 0.098414
+H	 0.5859545498	-2.2458459766	 1.419864313	 0.1387
+H	-1.1534854825	-2.8302519782	 1.4326084436	 0.123172
+H	 0.6620708093	-2.4587233582	-1.0786631795	 0.138986
+H	-1.0727247464	-3.0591470531	-1.0913297132	 0.121812
+19
+0 4451	2.8127402	1.4599822	1.0801476	2.9481	76.14	-0.24746	-0.02529	0.22217	1136.7845	0.157429	-422.582967	-422.574587	-422.573643	-422.61587	32.182
+O	-0.1486502599	 2.369342179	-0.4890248493	-0.443731
+C	-1.0037110228	 1.3554410055	-0.0414706051	 0.067743
+C	-1.9699420084	 0.7874684559	-1.0889634522	-0.247255
+C	-2.3798372634	-0.5793273898	-0.483136204	-0.324923
+C	-1.1019550635	-1.0787611999	 0.1884787251	 0.249834
+C	-1.0200574089	-2.2514735105	 1.1465206514	-0.306409
+C	-0.3939542689	-2.3708136904	-0.2013304991	-0.289069
+C	-0.2393834023	 0.1136117677	 0.4181562425	 0.316351
+O	 0.9011743691	 0.1464479169	 0.8256738122	-0.364925
+H	 0.7121799869	 2.1789348537	-0.0867534118	 0.290822
+H	-1.5967089426	 1.694000309	 0.8314965633	 0.089267
+H	-2.821802674	 1.440697974	-1.2878799049	 0.109793
+H	-1.422061592	 0.6459766269	-2.0272518702	 0.11603
+H	-3.175177557	-0.4373989823	 0.25885366	 0.1088
+H	-2.7617634448	-1.271024528	-1.2381434892	 0.108672
+H	-0.3648030924	-2.1317068365	 2.002751401	 0.135674
+H	-1.9445949713	-2.7850009485	 1.3403898326	 0.121875
+H	 0.6874883337	-2.3224905875	-0.2653947163	 0.139788
+H	-0.8829572376	-2.9832062551	-0.9511691759	 0.121663
+19
+0 4452	3.9103788	1.1642156	1.0175009	2.5176	79.41	-0.24269	0.00106	0.24375	1217.7351	0.156783	-422.542201	-422.533937	-422.532993	-422.574922	31.767
+C	 0.179930991	-0.3922502239	-0.5426568909	-0.400364
+C	 1.2249540185	 0.3059630538	 0.323607628	 0.085094
+O	 1.4005970461	-0.4967908362	 1.482861323	-0.258913
+C	 2.4738389101	-0.0678131247	 2.2975715724	-0.166703
+C	 3.7976344886	-0.154697815	 1.5634294952	 0.393694
+C	 5.0573369749	-0.0498105335	 2.3156225487	-0.241581
+O	 4.6183595829	-1.3144138419	 1.8299571227	-0.276239
+C	 3.7097703403	 0.2645698043	 0.1466267348	-0.133214
+C	 2.5265768438	 0.5151904076	-0.4122278469	-0.081367
+H	-0.7384627469	-0.5419259608	 0.0304230188	 0.127706
+H	-0.0518711436	 0.2104055197	-1.4257597836	 0.114268
+H	 0.5506909729	-1.3678374185	-0.8689430598	 0.132869
+H	 0.8276950834	 1.2949656182	 0.6264636888	 0.074332
+H	 2.3107370001	 0.9713006612	 2.6329984523	 0.090014
+H	 2.4907327539	-0.7206396851	 3.1738873818	 0.119794
+H	 5.9416848758	 0.3644622319	 1.8313690471	 0.112163
+H	 5.0256348031	 0.076897688	 3.3985327868	 0.111905
+H	 4.6381981135	 0.3657826054	-0.4078221306	 0.097456
+H	 2.4564239115	 0.8700654497	-1.4371572886	 0.099086
+19
+0 4453	3.543218	1.1894895	1.0512535	1.6456	78.13	-0.25093	-0.00713	0.2438	1179.1743	0.15771	-422.555203	-422.546927	-422.545983	-422.587961	31.992
+O	 0.4060842081	 0.2183124147	 0.5035524423	-0.438608
+C	-0.6143419451	 0.8027270665	 1.3239023583	 0.09104
+C	-1.0763836697	 2.1702147115	 0.7986771556	-0.233535
+C	-2.0448383968	 2.0184398237	-0.3795418866	-0.306743
+C	-3.2486057112	 1.1863766336	 0.0186994334	 0.414308
+C	-4.4520943526	 1.1756498594	-0.829825446	-0.24572
+O	-4.444938307	 1.9219198627	 0.3819821569	-0.277794
+C	-2.9567880034	 0.0276637962	 0.8986821524	-0.094923
+C	-1.7726001804	-0.150342185	 1.4898140119	-0.12207
+H	-0.0285843774	-0.1851741066	-0.2549328007	 0.27823
+H	-0.125915493	 0.9459281732	 2.2945463308	 0.090577
+H	-1.576010882	 2.7096870165	 1.6122815116	 0.110342
+H	-0.1952632754	 2.7491975997	 0.5079141581	 0.104859
+H	-2.3869576915	 2.9913708479	-0.7427538443	 0.112092
+H	-1.5312791945	 1.5238121982	-1.2152000492	 0.097071
+H	-4.4570183239	 1.765251459	-1.7469560469	 0.112344
+H	-5.1021000985	 0.3006255796	-0.8416103519	 0.111604
+H	-3.7693626388	-0.6764329816	 1.0584615488	 0.096917
+H	-1.594515697	-1.0315115194	 2.1005766954	 0.10001
+19
+0 4454	3.5514417	1.2514523	1.1153544	1.9705	78.97	-0.2292	0.00757	0.23676999999999998	1145.4127	0.157658	-422.547796	-422.539673	-422.538728	-422.580253	31.981
+O	 0.4079056177	 0.5132738178	 0.0908143813	-0.435837
+C	-0.8579408956	 1.1543611376	-0.0626626082	 0.087221
+C	-1.1189768174	 2.158130391	 1.0616474497	-0.128617
+O	-1.4239738978	 1.4632056125	 2.2694839789	-0.308242
+C	-2.6372390388	 0.763920812	 2.177479127	 0.409343
+C	-3.8476649936	 1.4029341477	 2.8469655313	-0.32193
+C	-3.138714682	 0.2372798891	 3.4921167802	-0.326174
+C	-2.8057832581	-0.0100197978	 0.9294812383	-0.089687
+C	-1.9859174679	 0.151257056	-0.1107815587	-0.145692
+H	 0.3692478433	 0.0484506052	 0.9354208014	 0.280712
+H	-0.7884818819	 1.6936700061	-1.0146932329	 0.087551
+H	-0.2165440968	 2.7405014181	 1.261783743	 0.112468
+H	-1.938073516	 2.8416919736	 0.790915657	 0.092738
+H	-3.6859183435	 2.384062215	 3.2781461543	 0.126894
+H	-4.8275438414	 1.2445473776	 2.4105584009	 0.116576
+H	-2.5112260053	 0.4468731733	 4.3507084302	 0.130746
+H	-3.6248524097	-0.7319892225	 3.5040519949	 0.118153
+H	-3.6308952076	-0.7168107528	 0.8983708477	 0.097039
+H	-2.0895714075	-0.4529928396	-1.0065083763	 0.096737
+19
+0 4455	3.1426511	1.5180659	1.2742992	1.4794	75.52	-0.24229	0.0656	0.30789	1043.3163	0.157261	-422.464344	-422.456742	-422.455798	-422.496254	30.156
+C	 0.1374090766	 0.202974265	 0.2578538241	-0.405597
+C	 1.2086250974	-0.0422344895	-0.7913439464	 0.109006
+O	 2.2266289583	-0.9307588896	-0.2022629983	-0.307405
+C	 2.6555253963	-1.985330865	-1.0882926269	-0.190005
+C	 2.0592705146	-1.5307367364	-2.3914359275	 0.394205
+C	 2.5113643948	-0.354033754	-3.2994259126	-0.272621
+C	 1.0339302349	-0.6729308789	-3.5578507425	-0.004865
+O	 1.3917675177	-2.13803651	-3.5675402882	-0.366429
+C	 0.7629000741	-0.8148904344	-2.0244384747	-0.034752
+H	 0.584289345	 0.5973944967	 1.174238226	 0.12787
+H	-0.5954948595	 0.928531148	-0.1103464518	 0.116072
+H	-0.3839003178	-0.7270853656	 0.5035057198	 0.121902
+H	 1.7015284766	 0.9059441435	-1.0379950279	 0.080113
+H	 3.7490458165	-2.0283497927	-1.0707581442	 0.11218
+H	 2.2484279437	-2.9545195835	-0.7707166807	 0.113039
+H	 2.7725410589	 0.5990642729	-2.8377167602	 0.110388
+H	 3.1882421999	-0.6361709917	-4.1055326844	 0.110344
+H	 0.3673876542	-0.3462915502	-4.3561453431	 0.098388
+H	-0.055449572	-1.5086039746	-1.8172748102	 0.088166
+19
+0 4456	2.948818	1.5101687	1.2311112	1.0953	74.64	-0.23247	0.06425	0.29672	1052.3779	0.1577	-422.476606	-422.468962	-422.468018	-422.508803	30.551
+O	 0.2765400716	-0.2429008781	 0.5410174206	-0.43929
+C	-0.9846327305	 0.332351042	 0.8109934628	 0.084092
+C	-1.2841781909	 0.4843594587	 2.3676554966	-0.224379
+C	-2.1417572198	 1.784785032	 2.6153634964	-0.377783
+C	-2.3575813111	 2.2339756855	 1.1916201299	 0.444749
+C	-3.3923668248	 1.7200593546	 0.1456762273	-0.273283
+C	-2.265027032	 2.47356906	-0.5740739803	-0.001149
+O	-2.3644341985	 3.5418131772	 0.4782376122	-0.371491
+C	-1.1981411702	 1.7687706362	 0.3271155074	-0.042504
+H	 0.9545195391	 0.3766764822	 0.8323078178	 0.276389
+H	-1.7008240697	-0.3648293169	 0.3709654535	 0.098013
+H	-1.7769863997	-0.4117669734	 2.7519647366	 0.113922
+H	-0.3239300751	 0.559101723	 2.8880614603	 0.10374
+H	-3.0655505922	 1.5882103232	 3.1650939968	 0.110946
+H	-1.5684813362	 2.5309300572	 3.1729950902	 0.122311
+H	-3.4986319752	 0.6455574512	-0.0157215533	 0.103207
+H	-4.3501814561	 2.2405347026	 0.1630707482	 0.107474
+H	-2.1986535936	 2.8268674272	-1.6030722718	 0.095069
+H	-0.3007911753	 2.3841202655	 0.4602146687	 0.069968
+19
+0 4457	3.0469003	1.5391828	1.2674226	2.3249	75.12	-0.24285	0.06504	0.30789	1035.7704	0.158487	-422.487546	-422.480108	-422.479164	-422.519376	29.904
+O	 0.2261786637	-0.1417240466	 0.2401218537	-0.435209
+C	-0.9249454798	 0.393934135	 0.868642664	 0.011451
+C	-2.1219202795	 0.2342731967	-0.1456640278	-0.092329
+O	-2.9975315604	 1.3846815129	-0.0488637122	-0.323201
+C	-2.4186876205	 2.192918699	 0.9192724241	 0.436519
+C	-2.5858899245	 2.0416426433	 2.4722013918	-0.289714
+C	-1.3079696308	 2.8803977517	 2.2319253908	-0.113243
+C	-2.1355525502	 3.6995410278	 1.1593024576	-0.291331
+C	-0.9285797026	 1.9167840484	 1.046984893	-0.041575
+H	 0.9492360233	-0.117001969	 0.8743034745	 0.284699
+H	-1.1443205231	-0.153990929	 1.7926192597	 0.077944
+H	-1.7112879838	 0.1798259654	-1.1598104951	 0.121453
+H	-2.7043662446	-0.6706518721	 0.0506789413	 0.111263
+H	-3.4317866631	 2.5652354975	 2.9234872864	 0.092441
+H	-2.4612934589	 1.0486331212	 2.9055635588	 0.094481
+H	-0.6525792591	 3.3095710982	 2.9869344627	 0.082312
+H	-2.9493842192	 4.3140113232	 1.5520511705	 0.097586
+H	-1.5581033728	 4.2184559853	 0.3907424695	 0.10051
+H	-0.3101402742	 2.3715124511	 0.2655543667	 0.075944
+19
+0 4458	2.4645675	1.8798728	1.4887672	0.9774	73.45	-0.22675	0.04775	0.2745	971.428	0.157333	-422.49362	-422.485826	-422.484882	-422.525541	30.615
+C	 2.0616570384	-0.2511317614	-1.4660159662	-0.403684
+C	 1.5730813545	 0.0165064023	-0.0424529656	-0.08846
+C	 2.5660215538	-0.4889919251	 1.0609967906	-0.099262
+O	 2.4647035775	 0.4193356959	 2.1797501693	-0.294223
+C	 2.1060409096	 1.6546659679	 1.6573443829	 0.254798
+C	 0.648545677	 2.0093206984	 1.4668903305	-0.379206
+C	 1.4625959393	 1.4921944797	 0.3150916179	 0.336897
+O	 2.2765479731	 2.5132589532	-0.2951834308	-0.328104
+C	 3.036620723	 2.6423945876	 0.9460601645	-0.149135
+H	 2.2671870968	-1.316015398	-1.6131553435	 0.114506
+H	 1.3114024057	 0.0520920739	-2.2015052079	 0.127542
+H	 2.9763466871	 0.3113622221	-1.6716018391	 0.133872
+H	 0.6012371006	-0.4662013487	 0.1060497484	 0.086926
+H	 2.3423551132	-1.4945478817	 1.4289674723	 0.112988
+H	 3.5939192071	-0.4853967889	 0.6681426913	 0.099503
+H	-0.046446527	 1.3053028478	 1.9105702965	 0.128804
+H	 0.3356355479	 3.0493196103	 1.4729136983	 0.121708
+H	 4.0560332791	 2.2578156924	 0.8294128306	 0.114145
+H	 3.0662009632	 3.6770114422	 1.3055742999	 0.110383
+19
+0 4459	2.6425861	1.797518	1.4905468	1.3599	73.41	-0.23337	0.05285	0.28622	964.6004	0.157812	-422.504213	-422.496574	-422.49563	-422.535866	30.349
+C	 0.1509065977	 0.23358794	 0.049956458	-0.406847
+C	 1.3162651934	-0.7270739898	 0.2740290828	 0.057496
+O	 2.494723844	-0.0212414757	 0.7530652005	-0.281248
+C	 2.5465165793	-0.0661816261	 2.18634559	-0.161551
+C	 1.8986600496	-1.3831924555	 2.5264643627	 0.356475
+C	 2.2405449525	-2.6334790855	 1.7898616397	-0.376417
+C	 1.0667664206	-1.7870309875	 1.3296957774	 0.122136
+C	-0.0655124864	-1.8937088861	 2.3633765888	-0.144968
+O	 0.829194828	-1.5547251018	 3.4651214769	-0.322644
+H	-0.1442185771	 0.7343606118	 0.977224257	 0.124571
+H	 0.4442493499	 1.0019380057	-0.6696047547	 0.128773
+H	-0.7216642956	-0.2963164585	-0.3466288535	 0.117698
+H	 1.6237768837	-1.1522284459	-0.6879474771	 0.087167
+H	 3.6002810197	 0.0351442356	 2.4619896417	 0.113939
+H	 1.9764316092	 0.7479011424	 2.6579514353	 0.104975
+H	 3.1195728971	-2.5915814525	 1.1560839602	 0.135239
+H	 2.0480831759	-3.5886344735	 2.2670745247	 0.122275
+H	-0.8498000246	-1.1388982601	 2.2524232518	 0.113425
+H	-0.5210068669	-2.8811535369	 2.4988061376	 0.109505
+19
+0 4460	2.537661	1.9171744	1.5210358	1.0409	73.4	-0.23328	0.05275	0.28603	949.9047	0.157688	-422.505559	-422.497845	-422.4969	-422.537321	30.399
+C	 0.0797106065	-0.3752083937	-0.0403496127	-0.394112
+C	 1.2695601732	 0.0616840141	 0.8092332389	 0.040107
+O	 2.5112546936	-0.5448851476	 0.3829544247	-0.280657
+C	 2.7334969437	-1.7763917912	 1.1005656606	-0.155184
+C	 2.0649263969	-1.581723664	 2.4379696046	 0.113391
+C	 2.3104023778	-0.2885350927	 3.1948288969	-0.374705
+C	 1.1595256667	-0.3813252678	 2.2531877225	 0.367826
+O	 0.0130532342	-1.0250069495	 2.8293225487	-0.325042
+C	 0.78873076	-2.2526206246	 2.9608966775	-0.138544
+H	-0.8333367019	 0.1289464794	 0.2894593107	 0.128778
+H	 0.2656265109	-0.1225912726	-1.0871760358	 0.12179
+H	-0.0903155414	-1.4529490978	 0.0337351661	 0.119167
+H	 1.4318399916	 1.1393573692	 0.6972542593	 0.087995
+H	 2.2883880901	-2.6356978823	 0.5759781752	 0.095482
+H	 3.818202119	-1.9173027653	 1.1294830786	 0.11309
+H	 2.1096156797	-0.2537508775	 4.2604550052	 0.123161
+H	 3.1607643521	 0.2932678723	 2.8562452991	 0.135938
+H	 0.7958086965	-2.6196161118	 3.9932346787	 0.111093
+H	 0.4036697609	-3.0316471664	 2.2925334311	 0.110425
+19
+0 4461	2.9260694	1.6658265	1.3296732	2.3853	74.79	-0.2467	0.06532	0.31202	1021.6854	0.157243	-422.514003	-422.506173	-422.505228	-422.545926	30.634
+C	 0.1074336725	 0.1595555249	 0.254782994	-0.402274
+C	 1.4694638914	-0.3461858729	-0.1948834049	 0.063038
+O	 1.6363255275	 0.0081576182	-1.5849335822	-0.277723
+C	 3.0103580581	 0.262936019	-1.8983121026	-0.158502
+C	 3.6287851656	 0.644930353	-0.5809278094	 0.269667
+C	 4.8359353062	 0.203134225	 0.2726111625	-0.293674
+C	 3.8188133843	-0.2084428332	 1.3993902461	-0.301999
+C	 2.6806716081	 0.2625818948	 0.4698084903	 0.27417
+O	 2.9006820639	 1.6375417459	 0.1462330782	-0.293847
+H	-0.0919480195	-0.1471907421	 1.2862843419	 0.113826
+H	 0.0813421117	 1.2501013332	 0.1956956728	 0.139118
+H	-0.6791251432	-0.2474813481	-0.3857992616	 0.124865
+H	 1.5279424105	-1.4413148433	-0.0744684081	 0.069792
+H	 3.5135379344	-0.6335688981	-2.2947801834	 0.094926
+H	 3.0253365628	 1.0406817597	-2.6680818957	 0.11914
+H	 5.3657243261	-0.6544793998	-0.1475749251	 0.112806
+H	 5.5516034333	 0.9931366999	 0.5077061569	 0.117147
+H	 3.805803426	-1.2859382649	 1.5776121125	 0.112994
+H	 3.8875691403	 0.3169892691	 2.3538479879	 0.11653
+19
+0 4462	2.5731499	1.8310161	1.5007511	2.939	73.56	-0.22128	0.06682	0.2881	956.2874	0.158297	-422.514549	-422.506964	-422.506019	-422.546064	30.631
+O	 0.6884509687	 0.6825026863	 0.8954787391	-0.436814
+C	-0.7241470681	 0.5023449993	 0.8566116288	 0.033692
+C	-1.3423662716	 0.5067345594	 2.2925190355	-0.258019
+C	-1.5211901826	 2.0073282784	 2.6774016106	-0.290207
+C	-1.8058489935	 2.643295013	 1.3397814857	 0.402681
+C	-2.7820656957	 2.0697343615	 0.364200381	-0.394214
+C	-1.3035931532	 1.7551526529	 0.2290083546	 0.176921
+C	-0.5575041242	 3.0120526	-0.2320895688	-0.145485
+O	-1.1609035842	 3.8190818717	 0.8304489525	-0.33344
+H	 1.072270018	-0.0890087243	 1.3230655424	 0.284991
+H	-0.9724554454	-0.4266990696	 0.321963305	 0.064926
+H	-2.3107531945	-0.0056023949	 2.2821872742	 0.106715
+H	-0.7077109642	-0.0386600295	 2.9984516334	 0.094295
+H	-2.2895550988	 2.1512473087	 3.4430113046	 0.101608
+H	-0.5802049426	 2.4179696925	 3.0554480217	 0.124059
+H	-3.4258315421	 1.2671074186	 0.7063277029	 0.118079
+H	-3.2353531858	 2.7344692576	-0.3638869894	 0.120432
+H	 0.5237661316	 2.9388489163	-0.0995902042	 0.130596
+H	-0.7972267018	 3.407131362	-1.2260620196	 0.099185
+19
+0 4463	2.4988768	1.9568587	1.5502352	1.8117	73.16	-0.23354	0.05428	0.28782	935.4118	0.158683	-422.517175	-422.509743	-422.508799	-422.548502	30.265
+O	-0.0471977958	 0.3366606026	-0.457439853	-0.44927
+C	-0.9331217304	 0.42696074	 0.6480524424	 0.04722
+C	-2.2745822418	-0.2525325139	 0.2666260497	-0.238429
+C	-3.069049823	 0.8092832558	-0.5623307659	-0.289654
+C	-2.5946835477	 2.1357167424	 0.0029829089	 0.168119
+C	-2.5788501175	 2.3546820356	 1.5069938533	-0.393266
+C	-1.3513539195	 1.8724265222	 0.8171956149	 0.370867
+O	-0.5992806217	 2.945002418	 0.217535438	-0.341766
+C	-1.7329486757	 3.2054755431	-0.6768568142	-0.14612
+H	 0.4008258309	 1.1911198155	-0.5164957918	 0.292085
+H	-0.4802040268	-0.0329148616	 1.5382267363	 0.067571
+H	-2.0847030943	-1.1725374231	-0.291265562	 0.118309
+H	-2.8225748293	-0.5295957848	 1.1734917722	 0.102505
+H	-2.7852590163	 0.7443254694	-1.6173443333	 0.115225
+H	-4.1497533155	 0.6467370549	-0.5033486584	 0.100781
+H	-2.576866317	 3.3673456253	 1.8973763732	 0.124012
+H	-3.1348785943	 1.6397692419	 2.102943514	 0.126006
+H	-2.0560065052	 4.2506325787	-0.614476711	 0.110185
+H	-1.4717745191	 2.955033488	-1.7105381634	 0.115619
+19
+0 4464	2.7758507	1.67355	1.2892833	1.9634	74.01	-0.24735	0.06786	0.31521	1027.701	0.158052	-422.527664	-422.519915	-422.518971	-422.559529	30.863
+O	-0.7035897304	 0.4281020417	 0.6799859317	-0.43553
+C	-2.0908927147	 0.2488191701	 0.4711330725	 0.046857
+C	-2.9852099411	 1.1282938288	 1.418731966	-0.241345
+C	-4.3206120821	 1.4198179568	 0.6737438088	-0.324629
+C	-3.9014547866	 1.3122570538	-0.7721427227	 0.330052
+C	-4.4303201538	 0.6843679386	-2.077020292	-0.30218
+C	-3.0506911003	-0.067686888	-2.2060631191	-0.309128
+C	-2.6184964207	 0.6153851394	-0.8948723068	 0.291247
+O	-2.7083450758	 2.0378419924	-1.0961856955	-0.31785
+H	-0.497018747	 1.3299117696	 0.4074946434	 0.285688
+H	-2.2738006853	-0.8168179724	 0.6525108632	 0.092071
+H	-3.1411471864	 0.6402064372	 2.3834447083	 0.10616
+H	-2.4503989575	 2.0622489375	 1.6102573999	 0.111827
+H	-5.0719046716	 0.6507504148	 0.8878714183	 0.107331
+H	-4.7539626665	 2.3858429162	 0.9517546882	 0.111538
+H	-5.2644826055	-0.0021071718	-1.9146370263	 0.10947
+H	-4.6906840787	 1.3915230057	-2.8671890896	 0.112911
+H	-3.1570539882	-1.1504644214	-2.1079546183	 0.111863
+H	-2.4366567478	 0.1582739009	-3.0801448701	 0.113647
+19
+0 4465	2.4994888	1.8824386	1.5037347	2.2653	73.74	-0.21313	0.0648	0.27793	957.5853	0.158057	-422.51244	-422.504752	-422.503807	-422.544148	30.781
+O	 0.6624682478	 0.5349706688	 0.9806977052	-0.427815
+C	-0.7535480776	 0.5543484712	 0.8493120078	 0.010609
+C	-1.3597152654	 0.5433201643	 2.2867174533	-0.10785
+O	-1.6189243845	 1.9011136931	 2.6811666437	-0.293669
+C	-1.7321970712	 2.6469999449	 1.5120434293	 0.39037
+C	-2.7179410754	 2.2476871552	 0.4565419848	-0.404992
+C	-1.252858478	 1.8818461595	 0.30127299	 0.171783
+C	-0.417628072	 3.1072786172	-0.1357066892	-0.284096
+C	-0.88099214	 3.8691006013	 1.1577247018	-0.287535
+H	 1.0398638122	 0.5047495553	 0.0957827198	 0.286455
+H	-1.0956105825	-0.3301878326	 0.2928816235	 0.068727
+H	-2.292628618	-0.0353371283	 2.2989590534	 0.099682
+H	-0.661002648	 0.0992385544	 3.0000480423	 0.126558
+H	-3.3951318122	 1.4430729725	 0.7205978751	 0.11959
+H	-3.1471498697	 2.988107127	-0.2132128212	 0.110896
+H	 0.655078769	 2.9100138054	-0.1334712316	 0.105364
+H	-0.6981064246	 3.5504164645	-1.0962399533	 0.097238
+H	-0.0621860486	 4.00214434	 1.8664139826	 0.12125
+H	-1.4087246212	 4.8190849064	 1.0325765026	 0.097436
+19
+0 4466	2.9489989	1.4409507	1.040655	0.1837	77.85	-0.22773	0.01921	0.24694	1160.1346	0.157793	-422.554373	-422.546019	-422.545075	-422.587634	30.502
+C	 0.2594036076	 0.2757220761	-0.4454925498	-0.390794
+C	 1.0571167863	-0.519164851	 0.5877310459	 0.014034
+O	 2.3987636748	 0.0058315001	 0.6733295822	-0.289494
+C	 2.7480167568	 0.3425788536	 2.0215067507	-0.191671
+C	 1.5012437671	 0.0637006427	 2.7965741787	 0.189705
+C	 0.5618577442	-0.422243959	 1.9984957862	 0.215612
+C	-0.6753612188	-0.7281500951	 2.7792138106	-0.188469
+O	-0.3431635633	-0.3486460421	 4.1225350182	-0.275182
+C	 1.0015612289	 0.1448945592	 4.2025203082	-0.182382
+H	 0.160497882	 1.3194582756	-0.1336135508	 0.12007
+H	 0.769150202	 0.247721606	-1.4122966383	 0.12894
+H	-0.741444222	-0.1510202304	-0.5716297286	 0.113197
+H	 1.1164871876	-1.5694441993	 0.2558043969	 0.083584
+H	 3.6024913304	-0.2694022906	 2.3521137367	 0.107271
+H	 3.0671473956	 1.3947466524	 2.0663054756	 0.109756
+H	-1.5552964024	-0.1579017564	 2.4439277435	 0.11009
+H	-0.9500351961	-1.7944153382	 2.7531353489	 0.108068
+H	 0.9943096658	 1.1704845586	 4.6029111045	 0.109135
+H	 1.5821326134	-0.4738549622	 4.9046054606	 0.108529
+19
+0 4467	2.8131874	1.4484681	1.0517999	1.9611	77.32	-0.23001	0.0147	0.24470999999999998	1151.5704	0.158618	-422.567455	-422.559186	-422.558242	-422.600683	30.706
+O	 0.491106813	 0.5993142987	 0.1601172037	-0.428023
+C	-0.8143286481	 0.6254244278	 0.7404211091	-0.002048
+C	-1.8834239173	-0.2016707084	-0.048017856	-0.237896
+C	-2.8387150211	 0.8146232199	-0.7498661008	-0.355477
+C	-2.4665375143	 2.1050317671	-0.0808634759	 0.231813
+C	-1.4198957511	 1.99988937	 0.7339017488	 0.201711
+C	-1.0949703886	 3.3298538902	 1.336471635	-0.187589
+O	-2.0736941299	 4.2195332559	 0.7765500192	-0.27597
+C	-2.957320968	 3.517815743	-0.1064554141	-0.181195
+H	 0.438581068	 1.061832745	-0.6840016809	 0.274279
+H	-0.6601698523	 0.2161835465	 1.7441645454	 0.089507
+H	-1.3861993873	-0.8791099184	-0.7469101269	 0.109849
+H	-2.4538660913	-0.8212988552	 0.6497979379	 0.110913
+H	-2.6877543148	 0.8617377916	-1.8365774592	 0.110299
+H	-3.891883431	 0.5482011724	-0.604021141	 0.113365
+H	-1.1753054081	 3.3385410632	 2.4345375519	 0.105822
+H	-0.0844141675	 3.6832371627	 1.0824777389	 0.110279
+H	-3.995582642	 3.6192906659	 0.2476208429	 0.105795
+H	-2.9148807885	 3.968693202	-1.1109250981	 0.104567
+19
+0 4468	2.7703329	1.6670955	1.2679574	1.7838	76.7	-0.23858	0.00434	0.24292	1035.9338	0.158058	-422.554575	-422.546574	-422.545629	-422.587144	30.253
+C	-0.3288647436	 1.4710304224	 0.2710999606	-0.390955
+C	 0.1169986415	 0.0425358235	-0.0137032347	 0.093698
+O	-1.0014480583	-0.8506275811	-0.2183575186	-0.292172
+C	-1.3675883045	-1.5167212982	 1.0050598175	-0.172555
+C	-0.2934953855	-1.1327022046	 1.9651538177	 0.290508
+C	-0.1250281738	-0.8217898722	 3.2427565537	-0.272467
+C	 1.1952268442	-0.0957754431	 3.3875878081	-0.111282
+O	 1.6146814212	 0.1917474911	 2.0453758498	-0.278026
+C	 0.8692589458	-0.6235793464	 1.1606088129	 0.047492
+H	 0.5405848216	 2.1299169337	 0.3515337591	 0.12604
+H	-0.9707978172	 1.827100362	-0.5389747845	 0.119043
+H	-0.8870253632	 1.5328544191	 1.2100921972	 0.114957
+H	 0.6915537644	 0.0080345798	-0.9443895148	 0.08229
+H	-2.3639094522	-1.197013117	 1.3362305326	 0.115246
+H	-1.409134088	-2.5960864681	 0.806513779	 0.116019
+H	-0.8079968003	-0.9804851489	 4.0676585194	 0.108918
+H	 1.0936414476	 0.8486779105	 3.938406545	 0.115161
+H	 1.9623856567	-0.6962102974	 3.9043141128	 0.105974
+H	 1.5000383536	-1.4385080349	 0.7677668472	 0.08211
+19
+0 4469	2.7767528	1.6593701	1.2974656	2.3982	77.3	-0.22174	0.01979	0.24153	1029.7841	0.158462	-422.565032	-422.557045	-422.556101	-422.597553	30.53
+O	-0.263161591	 1.4490786604	-0.0279592705	-0.428203
+C	-0.0056130312	 0.0558033612	-0.0173649557	 0.072529
+C	 0.5271455396	-0.4511778017	-1.3858428743	-0.242171
+C	-0.7242378467	-0.5834452579	-2.3239282832	-0.325311
+C	-1.869000858	-0.4729733106	-1.3589644928	 0.34689
+C	-3.1011747164	 0.0147969263	-1.3222814468	-0.273075
+C	-3.5232559756	 0.172425243	 0.1197820873	-0.105643
+O	-2.3698259828	-0.1662645172	 0.9006990218	-0.281989
+C	-1.3683979809	-0.6674767335	 0.0454952166	 0.081208
+H	 0.579698774	 1.9032459011	-0.1209757844	 0.28188
+H	 0.6629410479	-0.2165905956	 0.8107318906	 0.061085
+H	 1.2850406394	 0.2278811673	-1.7878114956	 0.094869
+H	 1.0103332077	-1.4253926024	-1.2543437218	 0.104713
+H	-0.7601065594	 0.2038991719	-3.0812396213	 0.120685
+H	-0.7082621859	-1.5395803959	-2.8582489478	 0.112984
+H	-3.7120467432	 0.3472534984	-2.1522682807	 0.098582
+H	-3.8230472462	 1.2065552305	 0.3430121878	 0.111878
+H	-4.3646274941	-0.4804364902	 0.4044625754	 0.098274
+H	-1.1657186872	-1.727403195	 0.2832627155	 0.070816
+19
+0 4470	3.6318291	1.0047909	0.8978155	3.6679	77.8	-0.23869	-0.01841	0.22028	1332.3253	0.156658	-422.556622	-422.548058	-422.547113	-422.589992	31.706
+C	 1.383841254	 1.238715519	-0.1964397075	-0.401693
+C	 1.0151039305	-0.246798277	-0.0969813564	-0.018867
+C	 1.6612312847	-1.0985478578	-1.2211892728	-0.10791
+O	 2.8929850297	-1.614648989	-0.6992501377	-0.253315
+C	 2.7760489081	-1.6705382113	 0.6877612423	 0.113969
+C	 1.5549218078	-2.4009019562	 1.2746150251	-0.188664
+C	 1.7082701155	-3.0001889657	 2.6132791062	 0.157219
+O	 1.2069878151	-4.0392309909	 2.968873971	-0.27177
+C	 1.6194565355	-0.8711801179	 1.1573148033	-0.098683
+H	 0.9890419464	 1.8037477662	 0.6538594968	 0.119584
+H	 2.4709371889	 1.3694685668	-0.2147067048	 0.130451
+H	 0.9749464392	 1.6803169122	-1.1105927968	 0.119327
+H	-0.0739782518	-0.3569549683	-0.1252839344	 0.08901
+H	 1.0062318897	-1.9290370774	-1.5136598671	 0.108909
+H	 1.8981046762	-0.5194469262	-2.1177162389	 0.115309
+H	 3.7348025404	-1.73716649	 1.1876103794	 0.116994
+H	 0.9140939157	-2.9564432555	 0.5986804417	 0.109984
+H	 2.3540374727	-2.4089591891	 3.3075050621	 0.060059
+H	 1.6489628116	-0.2888023019	 2.0718086785	 0.100089
+19
+0 4471	3.698705	1.0016932	0.9035764	3.4205	77.69	-0.24912	-0.01951	0.22961	1326.06	0.156744	-422.565511	-422.557014	-422.55607	-422.598757	31.581
+C	 2.4064906798	-0.32799286	 1.0808999166	-0.402758
+C	 1.455043157	-0.0187389306	-0.0749931848	 0.108607
+O	 1.3094394059	 1.3925876494	-0.2872417867	-0.26774
+C	 2.2486544512	 1.8232737332	-1.2681837535	-0.107979
+C	 2.472522105	 0.6219115341	-2.1676804985	-0.080862
+C	 1.1971891453	-0.0726229978	-2.6331043697	-0.126654
+C	 1.2782696852	-0.8987837046	-3.8560280761	 0.156477
+O	 0.3897995343	-1.0343017538	-4.6599858626	-0.268798
+C	 1.9627325357	-0.556302698	-1.4064245841	-0.0723
+H	 2.4436788085	-1.405517216	 1.2730040275	 0.117516
+H	 3.4231665642	 0.0139040566	 0.8617631786	 0.119093
+H	 2.0621949221	 0.1722850717	 1.9897742971	 0.130246
+H	 0.4513052651	-0.3877726768	 0.1664372105	 0.09372
+H	 1.8155816811	 2.6910091121	-1.7760339196	 0.118708
+H	 3.2026214484	 2.1311941533	-0.8121026861	 0.100075
+H	 3.3582111251	 0.5734901316	-2.7904959586	 0.101899
+H	 0.2521525068	 0.4369672325	-2.4747968424	 0.11904
+H	 2.2610590552	-1.4130597865	-3.9926754151	 0.061374
+H	 2.4510426641	-1.5234841203	-1.4389913324	 0.100337
+19
+0 4472	3.5562022	0.9964274	0.8977613	2.5132	77.54	-0.24759	-0.01723	0.23036	1320.3607	0.157352	-422.574949	-422.566478	-422.565534	-422.608145	31.859
+O	-1.3572648652	 3.8997260754	-0.5174789677	-0.435914
+C	-1.1904957103	 2.4850398836	-0.4743498626	 0.124315
+C	-1.2322364917	 1.9782253979	-1.9285346865	-0.24168
+C	 0.2287942569	 2.0425694361	-2.4334809409	-0.224528
+C	 1.0743492365	 1.869670021	-1.1793618988	-0.043739
+C	 0.6946609922	 0.7069818075	-0.2620455186	-0.128944
+C	 1.7488765992	 0.1734446938	 0.6256020402	 0.1587
+O	 1.8553450395	-0.9810464076	 0.9587453033	-0.273557
+C	 0.2110900748	 2.1293536989	 0.0113189515	-0.085748
+H	-1.2846272713	 4.2393924366	 0.3803414361	 0.282282
+H	-1.9782877478	 2.0265873116	 0.1405097318	 0.071086
+H	-1.6106922994	 0.9528598826	-1.9552893677	 0.11075
+H	-1.9139230996	 2.5933865284	-2.5185961834	 0.118186
+H	 0.4392888503	 1.2922114247	-3.2015635095	 0.106083
+H	 0.4405866096	 3.0260858677	-2.8656351293	 0.119359
+H	 2.1169940031	 2.1684399643	-1.1967935811	 0.094357
+H	-0.0119134413	-0.0383524313	-0.6113598302	 0.102809
+H	 2.4740187983	 0.9446614214	 0.9833829311	 0.060809
+H	 0.5879270862	 2.6245777277	 0.9016850423	 0.085374
+19
+0 4473	3.4150593	1.3334764	1.1556224	4.2593	73.92	-0.2675	0.01194	0.27944	1108.9991	0.1587	-422.610607	-422.602682	-422.601738	-422.643042	30.305
+C	-4.1743773569	-0.4798879384	 1.05682936	-0.406268
+C	-2.7793612705	 0.0870768472	 1.3550569539	 0.000086
+C	-1.9358222938	-0.8398862327	 2.2672705219	-0.236781
+C	-1.2901357421	-1.8655722691	 1.3090594598	-0.22878
+C	-1.0190488911	-1.0629859924	 0.0241489909	-0.219504
+C	-1.9465330063	 0.1768951312	 0.0764195505	 0.124075
+O	-0.7676734395	 1.047718158	 0.2324597039	-0.265539
+C	 0.0932138617	-0.0188226637	 0.1556394324	 0.44754
+O	 1.2811367343	 0.002832562	 0.2033925696	-0.32925
+H	-4.7550140543	-0.578805386	 1.9786729043	 0.123569
+H	-4.7307696673	 0.174215683	 0.3776015948	 0.121087
+H	-4.1215513519	-1.4704141232	 0.5914425057	 0.11978
+H	-2.8864170568	 1.0836882625	 1.7950546928	 0.092569
+H	-1.1559991342	-0.2561591629	 2.7665489326	 0.122771
+H	-2.5358193679	-1.3130101177	 3.0490535739	 0.101123
+H	-0.3791811018	-2.3132394187	 1.7144400186	 0.125127
+H	-1.9835579322	-2.6828502965	 1.0860321338	 0.110476
+H	-0.9739180667	-1.6559737013	-0.8892814953	 0.106515
+H	-2.4983799027	 0.4647483387	-0.819767884	 0.091403
+19
+0 4474	3.3683192	1.3374232	1.1366283	3.5043	74.58	-0.22888	-0.03352	0.19536	1116.7231	0.157052	-422.568549	-422.560322	-422.559378	-422.601784	31.08
+C	-4.3238783942	-0.4930408115	 1.2021780451	-0.406321
+C	-2.8916233506	 0.0217820028	 1.3844472907	 0.007192
+C	-2.0035019511	-1.0150720729	 2.1081913594	-0.109562
+O	-1.545355834	-1.9048557568	 1.0884650626	-0.248048
+C	-1.2817637295	-1.114001101	-0.0458707757	-0.000577
+C	-2.1656757242	 0.1815891026	 0.0321542063	-0.051539
+C	-0.8966091237	 1.0846774369	 0.0139406152	-0.386225
+C	-0.0247708723	-0.1855220905	 0.0384446886	 0.377994
+O	 1.1493663734	-0.386856152	 0.1273830903	-0.283553
+H	-4.8209226219	-0.6242825126	 2.1687557132	 0.115664
+H	-4.9230120984	 0.2042238666	 0.607975562	 0.115317
+H	-4.3243617533	-1.46106646	 0.69045228	 0.131908
+H	-2.9060086693	 0.9667509552	 1.9377872522	 0.078212
+H	-1.1496372108	-0.5299007475	 2.6056889286	 0.100914
+H	-2.5401313736	-1.6118318957	 2.8498229028	 0.114035
+H	-1.3237826115	-1.7445792653	-0.9379180568	 0.102395
+H	-2.8561349868	 0.3513032203	-0.7940074424	 0.078769
+H	-0.76422487	 1.6734644763	-0.8991039637	 0.134544
+H	-0.7533047682	 1.7505643152	 0.8714337718	 0.128881
+19
+0 4475	3.5171002	1.292218	1.1200094	3.1516	74.89	-0.23809	-0.02415	0.21394	1127.8046	0.157113	-422.574591	-422.566388	-422.565444	-422.607807	31.049
+C	-4.1679043758	-0.5830435299	 1.2639889478	-0.410261
+C	-2.7998454211	 0.093924002	 1.3601421736	 0.117047
+O	-1.901337108	-0.6359527496	 2.2060156619	-0.263284
+C	-1.2817285658	-1.6490478952	 1.4249549355	-0.106324
+C	-1.0871891385	-1.0365219395	 0.0249993739	-0.172306
+C	-2.0714365146	 0.1883679106	 0.0113962242	-0.033439
+C	-0.8634506832	 1.175220664	-0.0336267439	-0.374449
+C	 0.0776587813	-0.0367627301	-0.0770857147	 0.417215
+O	 1.2623660715	-0.1689079924	-0.1786417246	-0.295836
+H	-4.5774085699	-0.746033088	 2.2644993111	 0.128254
+H	-4.8668110083	 0.0443026764	 0.7011038729	 0.116613
+H	-4.1044648073	-1.5515023477	 0.756901202	 0.118062
+H	-2.9133443463	 1.0777515226	 1.8286011792	 0.085814
+H	-0.34091381	-1.9202689911	 1.9116853628	 0.128497
+H	-1.9101109614	-2.5495206647	 1.3619355339	 0.098302
+H	-1.1320886001	-1.7749414648	-0.7778746723	 0.099125
+H	-2.7496181344	 0.2620660695	-0.8385191795	 0.080375
+H	-0.7994598744	 1.8177923436	-0.9165348395	 0.130013
+H	-0.7362033737	 1.7962139142	 0.8592577456	 0.136583
+19
+0 4476	3.3174987	1.2993043	1.1174871	1.4891	74.3	-0.24186	-0.02592	0.21594	1115.2472	0.157519	-422.583713	-422.575534	-422.57459	-422.616595	31.481
+O	-4.1559851151	-0.7548037925	 1.1311235924	-0.440669
+C	-2.924257083	-0.0822382712	 1.3685895302	 0.137226
+C	-1.9895222549	-0.8867694787	 2.2960383592	-0.246667
+C	-1.2706795526	-1.8778267991	 1.3566643576	-0.238161
+C	-1.064604029	-1.076872294	 0.0536455462	-0.147706
+C	-2.1158967279	 0.0969403927	 0.0702311508	-0.052124
+C	-0.9639310305	 1.1489203314	 0.1159369635	-0.373778
+C	 0.0444427693	-0.010544537	 0.1333244178	 0.411056
+O	 1.2378985595	-0.073332077	 0.1965516571	-0.298618
+H	-3.9624184466	-1.6107140001	 0.7342873099	 0.279284
+H	-3.2133910123	 0.8780006773	 1.8060160944	 0.087229
+H	-1.2582691192	-0.2143811541	 2.7605065449	 0.110007
+H	-2.5497555574	-1.3699355987	 3.0997279969	 0.11093
+H	-0.3265636249	-2.2490064511	 1.7638408923	 0.123788
+H	-1.8988065854	-2.7551599675	 1.160666133	 0.09826
+H	-0.9971407242	-1.7050483733	-0.8381416947	 0.09502
+H	-2.7790813065	 0.1904807737	-0.7896684844	 0.081731
+H	-0.877615664	 1.7773873015	-0.7758363371	 0.134265
+H	-0.9288767255	 1.8018933375	 0.9945735398	 0.128925
+19
+0 4477	2.7206093	1.7917675	1.3958259	1.5831	74.64	-0.23809	0.05418	0.29227	984.8893	0.157225	-422.463646	-422.455985	-422.455041	-422.495638	30.139
+C	 2.2370794603	 1.4729038911	-0.1340410977	-0.399007
+C	 1.4944861947	 0.1499415388	 0.0660955734	-0.192731
+C	 1.6858819696	-0.8688546408	-1.1416134577	-0.078013
+O	 2.6105000536	-1.9368973743	-0.7649849051	-0.289278
+C	 3.1956583391	-1.517849173	 0.4441571079	 0.09722
+C	 2.9837566236	-2.0943213106	 1.8900898658	-0.017758
+C	 1.4708039102	-2.0561750653	 1.680179953	-0.277683
+C	 2.0942536713	-0.7443757797	 1.1193955884	 0.444638
+O	 2.9378229913	-0.658958026	 2.3462656049	-0.378537
+H	 2.1154954236	 2.1226004637	 0.7374388522	 0.132218
+H	 3.3088956097	 1.3091592658	-0.2825602327	 0.129387
+H	 1.8521508914	 2.0038484785	-1.0100841402	 0.117713
+H	 0.4277521121	 0.3380062608	 0.2202216024	 0.086969
+H	 0.7405960466	-1.3425255809	-1.4218885312	 0.115238
+H	 2.0869830426	-0.3446934766	-2.0168469823	 0.11193
+H	 4.1576678152	-1.0117855203	 0.3162731886	 0.082403
+H	 3.6074060831	-2.7571120596	 2.4900710651	 0.095702
+H	 1.0384590539	-2.7564177335	 0.9645898071	 0.115351
+H	 0.8790922281	-1.9317392082	 2.5873465681	 0.104237
+19
+0 4478	2.819432	1.7575603	1.3645933	2.3389	75.16	-0.24087	0.07733	0.3182	994.3027	0.15751	-422.479496	-422.471957	-422.471013	-422.511296	29.924
+C	-0.0542300497	-0.014060673	 0.1581300593	-0.397031
+C	 1.3751264657	 0.359034827	-0.2117883721	 0.00729
+O	 2.10349176	 0.7270976109	 0.9817360086	-0.300128
+C	 2.7479979911	 2.020091685	 0.8586675311	-0.103472
+C	 1.8882068584	 2.7682675689	-0.1501773825	-0.05036
+C	 2.2942522803	 3.0927468007	-1.6200306246	 0.015201
+C	 0.9037419521	 2.5649500632	-2.1064885929	-0.3084
+C	 1.5085060915	 1.5925211791	-1.0667286563	 0.40203
+O	 2.8248696559	 1.7316447148	-1.7658727472	-0.342683
+H	-0.0449224296	-0.7860710581	 0.9315640649	 0.132386
+H	-0.5944954667	 0.8529633567	 0.5506556346	 0.1159
+H	-0.5922026555	-0.4001372536	-0.7136145784	 0.117463
+H	 1.8853302687	-0.4864918807	-0.6914626314	 0.094631
+H	 2.7455989781	 2.466983277	 1.8556633327	 0.103516
+H	 3.7785924702	 1.8978311752	 0.5124283554	 0.113475
+H	 1.0677435393	 3.348577542	 0.2781278357	 0.081199
+H	 2.8872633088	 3.9146732794	-2.0225484388	 0.099964
+H	 0.0060891491	 3.1203500265	-1.8235984632	 0.104111
+H	 0.8877896625	 2.2100382391	-3.1369616549	 0.114908
+19
+0 4479	2.7484143	1.7634627	1.4020913	1.5092	74.77	-0.23656	0.05955	0.29611	979.1902	0.158019	-422.49067	-422.483091	-422.482147	-422.522679	30.203
+O	 0.0418930813	 0.0630492028	-0.4630137341	-0.426264
+C	-0.7829256246	 0.4447884335	 0.6317090273	-0.05018
+C	-2.2624644587	 0.1382823139	 0.2533368543	-0.207938
+C	-2.9273941286	 1.4485926814	-0.3195685264	-0.252112
+C	-1.8244272821	 2.5162991505	-0.2721890972	-0.008112
+C	-1.6381168886	 3.5353101705	 0.8888846218	 0.023608
+C	-0.0922602568	 3.2967827273	 0.8436436053	-0.322153
+C	-0.8425382922	 1.9468375944	 0.7605837751	 0.417976
+O	-1.7452033552	 2.426789958	 1.8547821503	-0.353391
+H	 0.951662654	 0.2892513869	-0.2426963614	 0.285662
+H	-0.4843396221	-0.0655584378	 1.5568536994	 0.075591
+H	-2.2651148244	-0.6798031335	-0.4713540499	 0.112333
+H	-2.8006020354	-0.1999013105	 1.1408718104	 0.114043
+H	-3.2754906712	 1.2986673513	-1.3441364642	 0.099077
+H	-3.7933893205	 1.7208050496	 0.2852521904	 0.113675
+H	-1.4108468246	 2.8049951275	-1.2409986337	 0.075762
+H	-2.1711696642	 4.459138247	 1.1199609299	 0.093144
+H	 0.4588993699	 3.6296349986	-0.0395843363	 0.100571
+H	 0.426031504	 3.5018189386	 1.780771329	 0.108708
+19
+0 4480	2.7816853	1.7533492	1.3968411	1.0477	74.86	-0.25071	0.06162	0.31233	976.4851	0.15863	-422.489631	-422.482267	-422.481323	-422.521179	29.663
+O	 0.739182107	 0.1077779662	 0.9511296796	-0.4312
+C	-0.6507758964	 0.3825258738	 0.9461544098	-0.048489
+C	-1.2860504903	 0.3622085859	 2.3904487187	-0.107948
+O	-1.4703779114	 1.7251377699	 2.8627142278	-0.294166
+C	-0.8948461588	 2.5768887715	 1.8993395986	 0.126821
+C	-1.6579981413	 3.5404900072	 0.9277341057	-0.103388
+C	-0.5754109473	 3.1161375087	-0.1402574423	-0.319596
+C	-1.0035504102	 1.8063825753	 0.585599046	 0.299646
+C	-2.4824457731	 2.3143241706	 0.473161608	-0.261626
+H	 1.1849650422	 0.8286190821	 1.4103569046	 0.281672
+H	-1.1012409938	-0.3850578014	 0.3123333524	 0.095485
+H	-2.2634374791	-0.1322844874	 2.3964716385	 0.110104
+H	-0.6138901954	-0.1758405985	 3.0683727695	 0.112044
+H	 0.0948268196	 2.933421908	 2.2209060522	 0.055884
+H	-2.0128077044	 4.5542547383	 1.1172436079	 0.078248
+H	-0.8720882281	 3.2272162344	-1.1847011785	 0.104918
+H	 0.4485585467	 3.4620184141	 0.0261019354	 0.097155
+H	-2.8962234009	 2.34944978	-0.5376165271	 0.089652
+H	-3.1978799251	 1.9177120412	 1.1925503331	 0.114784
+19
+0 4481	2.8534302	1.788114	1.3745324	1.537	73.37	-0.21562	0.06858	0.2842	984.6317	0.158539	-422.5126	-422.505202	-422.504257	-422.544107	29.499
+C	 4.2515556382	-0.6098400708	-0.4189856587	-0.411776
+C	 2.96678114	 0.1681492863	-0.1202607615	-0.0152
+C	 2.271549501	-0.4131961476	 1.1242924173	-0.063091
+O	 0.9687523959	 0.1096864796	 1.3770186383	-0.277019
+C	 0.1532240488	 0.3320829987	 0.2688302404	 0.109271
+C	 0.0486058019	-0.51018145	-0.9800723	 0.036822
+O	 1.2715575957	-1.1638587988	-1.3146894361	-0.303852
+C	 1.9757656468	 0.1209667754	-1.2830848084	 0.089514
+C	 0.6693178564	 0.8837276694	-1.0267902198	-0.212984
+H	 4.9195177341	-0.6261351252	 0.4487651328	 0.115392
+H	 4.0204821676	-1.6459360488	-0.6873717105	 0.136088
+H	 4.7990239209	-0.1590742149	-1.2528826934	 0.114744
+H	 3.2089770342	 1.2244472533	 0.0592659213	 0.082237
+H	 2.2162996823	-1.5035376867	 1.0168136854	 0.111235
+H	 2.8542960688	-0.1871908787	 2.022542379	 0.102532
+H	-0.7967820144	 0.7434836533	 0.5978633632	 0.108065
+H	-0.8672163615	-0.9280649243	-1.3846472167	 0.103712
+H	 2.4425463652	 0.3132221984	-2.2539575749	 0.078964
+H	 0.368928178	 1.8144135412	-1.4906386978	 0.095346
+19
+0 4482	2.8843331	1.8070207	1.3844233	2.3787	74.28	-0.22774	0.07818	0.30591999999999997	980.8496	0.158237	-422.515388	-422.507979	-422.507035	-422.5469	29.488
+C	 1.0224260674	-3.1201467962	-3.1217615893	-0.405452
+C	 0.7520550051	-1.781358799	-2.4489914688	 0.126556
+O	-0.0965875968	-2.0598702002	-1.3450992063	-0.257197
+C	-0.3663811811	-0.9893561393	-0.4589761287	-0.093086
+C	 0.8301387129	-0.1172288107	-0.1268888857	-0.080284
+C	 2.2655863387	-0.5746275137	-0.0147779503	 0.095019
+O	 2.5468767428	-1.7506425885	-0.770873256	-0.291968
+C	 2.0344817617	-1.0968495596	-1.9715800744	 0.086427
+C	 1.8206001911	 0.2222136594	-1.214085012	-0.187952
+H	 1.5858868151	-3.766033367	-2.4429283534	 0.141953
+H	 0.0796745213	-3.6144387917	-3.369455221	 0.123363
+H	 1.5983215628	-2.9820508115	-4.0419853	 0.108471
+H	 0.2528216162	-1.0941018485	-3.1572132657	 0.061564
+H	-1.1506621081	-0.3344526443	-0.87947781	 0.085445
+H	-0.7768840648	-1.4561300194	 0.4431354073	 0.111922
+H	 0.5961666143	 0.7151321216	 0.5336061116	 0.092955
+H	 2.9231224085	-0.3413670021	 0.8146889879	 0.105541
+H	 2.7985640105	-1.0647925377	-2.7542093249	 0.082032
+H	 2.0692575023	 1.2158185884	-1.5610376501	 0.094691
+19
+0 4483	2.8056446	1.7403513	1.3395241	2.0711	73.15	-0.23211	0.07084	0.30295	990.4951	0.159365	-422.531503	-422.524208	-422.523264	-422.5629	29.605
+O	 2.0467385317	-1.6995906551	-3.0357635499	-0.44201
+C	 1.2683661488	-1.3797012663	-1.8899460199	 0.131691
+C	-0.2290733496	-1.3329202406	-2.2308794415	-0.225477
+C	-1.1139057592	-0.8068038628	-1.0828818543	-0.24391
+C	-0.5013140315	 0.3444355149	-0.3021068138	-0.044812
+C	 0.3749343883	 1.4474642931	-0.8456267788	 0.086587
+O	 1.1127018637	 1.0733703174	-2.0104275892	-0.313353
+C	 1.6992070362	-0.0520970724	-1.2731411649	 0.069529
+C	 0.9774291173	 0.3649822574	 0.0152983588	-0.176474
+H	 1.884097187	-1.0078550142	-3.6878490645	 0.284318
+H	 1.4805013503	-2.1767396925	-1.165714898	 0.088259
+H	-0.3381968789	-0.6716316848	-3.0962979754	 0.107942
+H	-0.5609394974	-2.3285411543	-2.5400268286	 0.098503
+H	-2.0926043686	-0.5178500267	-1.484247465	 0.102476
+H	-1.3056091602	-1.6184162653	-0.3679525696	 0.101684
+H	-1.1093087501	 0.6968973464	 0.5294192968	 0.088766
+H	 0.2084662618	 2.5060734427	-0.681052813	 0.103514
+H	 2.7884411588	 0.0422916128	-1.2493389974	 0.087126
+H	 1.4066593917	 0.3867024104	 1.0077715084	 0.095642
+19
+0 4484	2.664657	1.8118502	1.5262779	1.6593	72.9	-0.23008	0.07765	0.30773	943.5377	0.159644	-422.526527	-422.519219	-422.518274	-422.557957	29.483
+O	 0.0549928236	-2.5268747544	-2.2027632048	-0.44268
+C	 0.4817528805	-1.1709622201	-2.251615564	 0.109808
+C	-0.4902235489	-0.2530188511	-1.5040053212	-0.107569
+O	-0.4346472296	-0.4339987298	-0.0916541475	-0.274995
+C	 0.8422947351	-0.5880702844	 0.4700910792	 0.123262
+C	 2.1233134477	 0.1416675427	 0.1479287442	-0.106455
+C	 2.3508303513	 0.42684782	-1.3383659473	-0.265019
+C	 1.8973072416	-1.0287160607	-1.6797984938	-0.04794
+C	 1.9328826272	-1.3698435672	-0.1696211401	-0.138835
+H	-0.1088111903	-2.7341019974	-1.2753092832	 0.289683
+H	 0.4692695235	-0.8932689534	-3.3119611058	 0.085341
+H	-0.3037924987	 0.7985725443	-1.7618813787	 0.09794
+H	-1.5153515385	-0.4961869522	-1.7964521711	 0.113451
+H	 0.7146963051	-0.7534619632	 1.5356587163	 0.105305
+H	 2.6992150129	 0.5914623146	 0.9496325688	 0.086328
+H	 1.8203202882	 1.266771255	-1.7962754323	 0.097418
+H	 3.4180197979	 0.5465755378	-1.5428058638	 0.10593
+H	 2.6094477115	-1.5895838785	-2.2853334841	 0.081284
+H	 2.4063624199	-2.2392365518	 0.2707981489	 0.087742
+19
+0 4485	2.9464451	1.6413376	1.2430181	2.1996	74.04	-0.23489	0.06924	0.30413	1036.9018	0.158282	-422.498234	-422.490908	-422.489964	-422.529724	29.304
+C	-0.5835724835	-2.1580016227	-1.226864125	-0.40539
+C	-0.4404556917	-0.6614336786	-0.9302894169	-0.039263
+C	-0.3916174822	 0.152477681	-2.2305485986	-0.074345
+O	 0.0913654987	 1.4766606703	-2.0308199611	-0.271489
+C	 1.1864894346	 1.5313774937	-1.1675260416	 0.123949
+C	 1.0240487258	 1.1272459132	 0.3269707382	-0.001301
+O	 2.4824359474	 0.9085335006	 0.3740175947	-0.308357
+C	 2.0527695088	 0.2616962167	-0.8759100652	-0.019665
+C	 0.822235285	-0.3400833972	-0.1263293394	-0.00653
+H	-0.6715969283	-2.7337261139	-0.3004535535	 0.121175
+H	-1.4731530246	-2.3610892516	-1.8326174113	 0.117524
+H	 0.2872213603	-2.5364680147	-1.7742838448	 0.119461
+H	-1.3092119903	-0.3379955658	-0.3403374426	 0.083746
+H	 0.2654556114	-0.3671884113	-2.9475535807	 0.092401
+H	-1.3787295375	 0.2483256928	-2.690546662	 0.1117
+H	 1.7419433112	 2.4538475143	-1.3396781118	 0.098193
+H	 0.5606757964	 1.66567792	 1.1545346635	 0.089924
+H	 2.8235035259	-0.2260892302	-1.4735905099	 0.092172
+H	 1.0824166625	-1.0798984764	 0.6352580182	 0.076095
+19
+0 4486	3.028743	1.6243154	1.2462283	1.1883	74.67	-0.2358	0.07346	0.30926	1034.8722	0.158048	-422.498136	-422.490784	-422.48984	-422.529702	29.287
+C	-0.321063188	-2.5051340677	-0.3411682526	-0.398882
+C	-0.6833481768	-1.1730653377	-0.984907458	 0.097524
+O	 0.309640349	-0.9106743486	-1.971228046	-0.262788
+C	-0.0395985274	 0.121468047	-2.8757200607	-0.120375
+C	-1.4863620589	 0.0026397115	-3.3340256453	-0.028837
+C	-2.6074165087	 0.1189584338	-2.270175461	 0.021173
+O	-3.4927427681	-0.690655429	-3.1307062823	-0.316199
+C	-2.1837914734	-1.3767434073	-3.1570862041	 0.042099
+C	-2.0756290557	-1.1812933562	-1.6159317989	-0.019773
+H	-0.9912426312	-2.7223343902	 0.4958490746	 0.115986
+H	-0.3978490296	-3.3171349196	-1.0708489412	 0.123257
+H	 0.705745887	-2.4750503204	 0.0324283116	 0.126686
+H	-0.6519482332	-0.381614924	-0.2132922406	 0.066455
+H	 0.1329337814	 1.1160575825	-2.427918107	 0.090572
+H	 0.6450391263	 0.0215240844	-3.7240840609	 0.114208
+H	-1.705473588	 0.5144389903	-4.2730852173	 0.083891
+H	-3.0303057696	 1.008545726	-1.8007339157	 0.088498
+H	-2.1011961819	-2.2835123994	-3.7560904826	 0.095712
+H	-2.8249878834	-1.7226782752	-1.0347081821	 0.080793
+19
+0 4487	2.928615	1.6503412	1.3442397	1.3826	73.73	-0.23035	0.06278	0.29313	993.6556	0.159049	-422.508959	-422.501694	-422.50075	-422.540368	29.379
+O	-2.3846672071	-0.3750584687	-0.0085029898	-0.437526
+C	-1.1325554223	-0.7989277141	-0.5553041704	 0.096236
+C	-1.1409768288	-0.4425562073	-2.0413094397	-0.21852
+C	-0.8432189047	 1.0488047809	-2.2557441412	-0.247576
+C	 0.2557245755	 1.5170592654	-1.3057600806	 0.004499
+C	 1.2249633496	 0.4796496529	-0.65805789	 0.011572
+O	 1.4750304031	 1.4330258399	 0.4401831801	-0.315676
+C	 0.0108587063	 1.4482031063	 0.2242074924	 0.053362
+C	 0.0282444985	-0.1012425574	 0.1546161665	-0.045739
+H	-2.3556150478	-0.5088991571	 0.9445554826	 0.282519
+H	-1.0313482345	-1.8897965323	-0.4454327817	 0.063063
+H	-0.3646310713	-1.0410546878	-2.532883386	 0.098881
+H	-2.1003539694	-0.7317080854	-2.4793368572	 0.107994
+H	-0.5453085082	 1.2270260839	-3.294498557	 0.099039
+H	-1.7447635186	 1.6477289425	-2.0826525326	 0.116391
+H	 0.7580920191	 2.4377947158	-1.6096475418	 0.07906
+H	 2.0901000257	-0.0341707293	-1.0798912021	 0.088149
+H	-0.5878067969	 2.102237962	 0.8587457605	 0.090311
+H	 0.3311040617	-0.5705849601	 1.0948352581	 0.073962
+19
+0 4488	2.9639564	1.6613562	1.2664829	2.0523	74.71	-0.24084	0.07296	0.31379999999999997	1017.1787	0.159343	-422.517948	-422.510742	-422.509798	-422.549282	29.155
+O	 1.6955327446	 2.3164902762	-3.8804739655	-0.433145
+C	 1.1072351105	 1.8997680311	-2.6539677589	 0.060787
+C	 0.93097887	 3.1714553353	-1.8205135105	-0.078236
+O	 0.7840500545	 2.877583369	-0.4402042344	-0.283674
+C	 1.644019442	 1.8675123663	 0.0121964869	 0.171539
+C	 1.4359859726	 0.4139993444	-0.5104759514	-0.101193
+C	 2.903426183	 0.1452357567	-0.088169661	-0.242098
+C	 2.9470659558	 1.5293224454	-0.7856480072	-0.108961
+C	 1.9909658859	 0.9315279561	-1.8747832784	-0.01826
+H	 1.7623461514	 1.547588058	-4.4552515575	 0.282458
+H	 0.1291603047	 1.4262395276	-2.8389030335	 0.067403
+H	 1.8222843178	 3.7934288598	-1.9905772686	 0.106144
+H	 0.0511806861	 3.7442115927	-2.1218250425	 0.110825
+H	 1.7394386416	 1.9853592904	 1.0945312217	 0.078316
+H	 0.565751077	-0.2257231082	-0.3550775241	 0.070691
+H	 3.1136686821	 0.1247855932	 0.9851193332	 0.09291
+H	 3.4114159741	-0.6689164205	-0.6104399087	 0.095425
+H	 3.8217355284	 2.1609460701	-0.9433134452	 0.078523
+H	 2.4328730979	 0.1657058264	-2.5243032243	 0.050545
+19
+0 4489	3.0620245	1.4373137	1.1499257	2.6952	74.86	-0.24995	0.06616	0.31611	1099.6057	0.157722	-422.464762	-422.457126	-422.456182	-422.496757	29.933
+C	 1.3921353037	 1.1271285507	-0.0209817739	-0.398938
+C	 1.0760032364	-0.3686020279	 0.0142703061	-0.124038
+C	 1.6751900724	-1.1730900334	-1.2402687255	-0.08744
+O	 2.7629159824	-2.0426107922	-0.8096923319	-0.293376
+C	 3.0758455805	-1.483812061	 0.4441371785	 0.159059
+C	 3.6876814345	-1.9196184393	 1.7919780583	-0.055768
+O	 2.7806745558	-2.6270045022	 2.6303091923	-0.222314
+C	 2.5514030188	-1.2201675246	 2.4543975702	-0.101356
+C	 1.7441672592	-1.2057355958	 1.1067189094	 0.058084
+H	 0.9429082509	 1.6388174769	 0.8363244365	 0.119228
+H	 2.4689880219	 1.3242580114	-0.0036874843	 0.119855
+H	 0.9907632345	 1.5867391005	-0.9305044851	 0.118892
+H	-0.0110792953	-0.4920594614	 0.0220265939	 0.080184
+H	 0.9230302691	-1.8093304563	-1.7141175339	 0.115568
+H	 2.0546717555	-0.4629036918	-1.9860215916	 0.103815
+H	 3.5970545404	-0.5220795711	 0.2832030664	 0.071455
+H	 4.7392959335	-1.964837677	 2.0519194194	 0.110379
+H	 2.5390504108	-0.5942229901	 3.3377410201	 0.112559
+H	 1.1957178949	-2.1510791255	 1.1555220051	 0.114154
+19
+0 4490	3.4247125	1.4213891	1.2031884	1.0127	73.5	-0.24338	0.07698	0.32036000000000003	1068.4203	0.158001	-422.526541	-422.51896	-422.518016	-422.558415	29.671
+C	 0.3753679865	 0.4733360527	-0.396090604	-0.405462
+C	 1.2602486897	-0.5002853638	 0.3849745357	 0.107655
+O	 1.8708504526	-1.4683335463	-0.4751443683	-0.260895
+C	 3.0920004629	-0.9200942522	-0.954661217	-0.108906
+C	 3.6775540402	-0.0932655324	 0.1920885569	-0.081552
+C	 4.2612077045	-0.9199015857	 1.3471483272	 0.03319
+O	 4.3645957728	-0.0586993491	 2.4849510449	-0.252458
+C	 3.0942253203	-0.6525090538	 2.2000485127	 0.018876
+C	 2.420470986	 0.1955098964	 1.1123051603	-0.071826
+H	-0.1637205477	 1.1368650304	 0.2879473133	 0.116179
+H	 0.9670828434	 1.0989067502	-1.0726315978	 0.118273
+H	-0.35585213	-0.0800641309	-0.9914434127	 0.125148
+H	 0.635953984	-1.0748124674	 1.0797443907	 0.082127
+H	 3.7283171381	-1.7566022996	-1.2613172278	 0.108343
+H	 2.9262670621	-0.2822389831	-1.836405489	 0.093948
+H	 4.2910531557	 0.7464245712	-0.1391584562	 0.084413
+H	 4.927850834	-1.773937449	 1.3035344125	 0.105067
+H	 2.6336238177	-1.2486000657	 2.9799111925	 0.10456
+H	 2.2040971772	 1.2278633582	 1.3930979362	 0.08332
+19
+0 4491	2.7329098	1.6510291	1.2101984	1.6361	73.19	-0.24713	0.06589	0.31301999999999996	1041.8929	0.158497	-422.535326	-422.527781	-422.526837	-422.567087	30.035
+O	-0.9605202188	 0.1276557176	 0.9617610278	-0.437549
+C	-2.0575398305	 0.7131165827	 0.2740214701	 0.129783
+C	-2.6248997878	-0.286431874	-0.7420276341	-0.228776
+C	-4.0458730416	 0.2346489908	-1.0152559191	-0.233379
+C	-4.5486653331	 0.7769014102	 0.3351610358	-0.057764
+C	-4.887081527	-0.3064047547	 1.3699531122	 0.030701
+O	-4.9645815709	 0.3228615673	 2.6519581947	-0.256923
+C	-3.6699920162	-0.0261571298	 2.1487579872	 0.040116
+C	-3.2438255004	 1.0880174673	 1.1815646272	-0.110104
+H	-0.5764271378	 0.7957122423	 1.5383055804	 0.283043
+H	-1.7291481155	 1.6180602898	-0.2620994138	 0.067324
+H	-2.0096749495	-0.3589661806	-1.6420611023	 0.102036
+H	-2.6473677079	-1.2787750075	-0.279515549	 0.114686
+H	-4.0117928861	 1.0541332575	-1.7422012668	 0.102833
+H	-4.7074668083	-0.5314041396	-1.4329344975	 0.099919
+H	-5.3024234216	 1.5614171869	 0.2402440304	 0.076736
+H	-5.4457612899	-1.2262856495	 1.2322897351	 0.098483
+H	-3.0501142182	-0.6734543715	 2.7561365487	 0.108541
+H	-3.1480778689	 2.0754572948	 1.640803563	 0.070294
+19
+0 4492	3.1072515	1.4599076	1.1826583	1.4546	75.7	-0.23879	0.0672	0.30599	1079.2459	0.158421	-422.477366	-422.469774	-422.468829	-422.509155	30.245
+O	 0.7625420856	 0.5154843206	 0.8300735965	-0.424724
+C	-0.6523967216	 0.5126231053	 0.8707602266	-0.038158
+C	-1.2321871614	 0.404834175	 2.3638101314	-0.101381
+O	-1.6002646905	 1.7194815649	 2.8509036073	-0.30338
+C	-0.9530939083	 2.5519444526	 1.8896793285	 0.197006
+C	-1.1516236324	 3.9494609657	 1.3075885519	-0.140581
+C	-2.1591276138	 4.0904521941	 0.2014171805	-0.283536
+C	-0.9282394986	 3.2758589422	-0.0860386631	-0.131262
+C	-1.2166846576	 1.887257762	 0.5646812865	 0.072593
+H	 1.0778492778	-0.3143020174	 1.2017714332	 0.284132
+H	-1.0552855832	-0.298113599	 0.2489468502	 0.068071
+H	-2.1201165705	-0.2342720709	 2.4084290238	 0.107895
+H	-0.4512783794	-0.0275483229	 3.004687326	 0.091691
+H	 0.1285949485	 2.5004429828	 2.0798636678	 0.090775
+H	-0.6459993941	 4.8226089275	 1.702274006	 0.092904
+H	-3.1322500905	 3.6072385357	 0.2439646433	 0.114682
+H	-2.18617822	 5.0846929792	-0.234943196	 0.114253
+H	-0.1921789864	 3.5325487964	-0.835248103	 0.10243
+H	-2.2942925137	 1.7111590659	 0.4613150727	 0.086591
+19
+0 4493	3.0519791	1.5486999	1.2519488	1.6746	74.68	-0.2474	0.01222	0.25962	1034.2533	0.15963	-422.579611	-422.572105	-422.571161	-422.611536	29.707
+O	 0.4430192697	 0.5552842419	 0.183318126	-0.44531
+C	-0.7586001442	-0.0652211332	 0.6125050892	 0.13395
+C	-1.0400877361	 0.2527862459	 2.0835055353	-0.132267
+O	-1.51798939	 1.5958642299	 2.0362733241	-0.280009
+C	-2.4372912297	 1.6597236431	 0.9266681094	 0.059385
+C	-3.8439748264	 1.2796369336	 1.3140052778	-0.082918
+C	-4.2542722968	 0.1693295479	 0.7052252936	-0.061821
+C	-3.2187751605	-0.4029594489	-0.2301772775	-0.283433
+C	-1.9994788475	 0.545955976	-0.0830545612	-0.072808
+H	 0.4301126487	 1.4519322959	 0.5401607721	 0.285112
+H	-0.6441356916	-1.1328784749	 0.4089328388	 0.083483
+H	-1.7930163865	-0.4277329389	 2.5085985156	 0.095268
+H	-0.1409797323	 0.231302891	 2.7034183509	 0.114103
+H	-2.3655815073	 2.6811400896	 0.5399417461	 0.082909
+H	-4.4130959311	 1.859770709	 2.0312851408	 0.099733
+H	-5.224835254	-0.2964102139	 0.8433079164	 0.098514
+H	-2.9759172331	-1.4430601323	 0.0264130037	 0.106571
+H	-3.5827415631	-0.4294640737	-1.2644324286	 0.113386
+H	-1.6907622182	 0.9521245223	-1.0465792124	 0.086152
+19
+0 4494	2.7078591	1.5056907	1.2007855	4.216	73.93	-0.26731	0.01289	0.2802	1088.6321	0.158721	-422.610666	-422.602793	-422.601849	-422.643004	30.261
+C	-1.6879961534	-3.219832397	 1.1292212504	-0.406134
+C	-0.999046276	-1.8729329807	 1.382953573	 0.012738
+C	-1.8488834446	-0.9210592696	 2.265855424	-0.237735
+C	-2.7829487063	-0.1855372394	 1.2799069058	-0.228847
+C	-1.9434574719	-0.0134659896	 0.0221096578	 0.125903
+O	-0.9378431377	 1.0563713742	 0.1656465061	-0.264743
+C	 0.0935249193	 0.1510545436	 0.1909744754	 0.452429
+O	 1.2565636474	 0.3782412661	 0.2914276721	-0.3328
+C	-0.815876683	-1.0742866191	 0.0739431731	-0.230131
+H	-1.8395067382	-3.7598753915	 2.0691616091	 0.120457
+H	-2.6689042813	-3.0922560431	 0.6577494088	 0.116475
+H	-1.0847385574	-3.8534355404	 0.4711487687	 0.120921
+H	-0.0240674562	-2.0599344728	 1.844303786	 0.097986
+H	-2.3962689849	-1.4562241741	 3.0460674917	 0.101673
+H	-1.1979692485	-0.1972803862	 2.7665879804	 0.123153
+H	-3.656566395	-0.8007222208	 1.0357485101	 0.10972
+H	-3.1513268926	 0.7710350774	 1.659492294	 0.12083
+H	-2.4980778074	 0.1299025842	-0.9054572786	 0.095103
+H	-0.6277829223	-1.6891840812	-0.8071083078	 0.103003
+19
+0 4495	2.6366176	1.5243984	1.1882909	1.7195	74.81	-0.23954	-0.02765	0.21189	1092.7491	0.157011	-422.573075	-422.564877	-422.563933	-422.606066	31.102
+C	-1.5416974124	-3.3014718625	-1.0807315179	-0.407591
+C	-0.962894426	-1.9138913163	-1.3776764527	 0.00415
+C	-1.9282782849	-1.0449939476	-2.21099037	-0.110454
+O	-2.820775505	-0.4391062811	-1.276756167	-0.25825
+C	-2.0992779582	-0.1497139602	-0.0955180452	 0.10267
+C	-1.2098765435	 1.1339028757	-0.1421525191	-0.377915
+C	 0.024202557	 0.2211161724	-0.2374060939	 0.388788
+O	 1.1966208367	 0.414172448	-0.3810033749	-0.298839
+C	-0.8247712514	-1.0599993305	-0.1007244262	-0.174815
+H	-0.8895487301	-3.8676850091	-0.4086067183	 0.118333
+H	-2.5268904233	-3.2190274284	-0.6102169566	 0.13056
+H	-1.6574658677	-3.8800495652	-2.0031228893	 0.117374
+H	 0.0033820728	-2.0115153704	-1.8820968266	 0.097224
+H	-1.3745681199	-0.2786434886	-2.7755515635	 0.098825
+H	-2.5322939983	-1.6190640315	-2.9186567323	 0.112752
+H	-2.7888684401	-0.2117048351	 0.7468032762	 0.088849
+H	-1.3793377082	 1.8058406812	-0.9882739784	 0.137751
+H	-1.224017364	 1.7236035437	 0.7802170048	 0.13376
+H	-0.6025364436	-1.6490887145	 0.7919497209	 0.096828
+19
+0 4496	2.6705	1.5186695	1.1684151	3.0182	75.05	-0.23864	-0.02369	0.21495	1100.2476	0.157139	-422.574464	-422.566275	-422.565331	-422.607656	31.01
+C	-1.5664126207	-3.1589610035	-1.2613842984	-0.408931
+C	-0.9104745272	-1.7781227698	-1.3033125786	 0.115122
+O	-1.584848008	-0.8930779164	-2.2035743158	-0.263345
+C	-2.6292467741	-0.2409647182	-1.4883573748	-0.102052
+C	-2.0629588108	 0.0347282078	-0.0950665922	-0.038911
+C	-0.9964055592	 1.1714943795	-0.0123580626	-0.362486
+C	 0.0798471736	 0.0952868583	 0.1889360709	 0.411371
+O	 1.2593524232	 0.1227409069	 0.3879600141	-0.296673
+C	-0.9383548666	-1.0503637131	 0.0614803408	-0.175348
+H	-0.9790722394	-3.8419854929	-0.6393463366	 0.120575
+H	-2.579347667	-3.1130346054	-0.8482853234	 0.117449
+H	-1.6256598381	-3.5734248519	-2.2715245739	 0.128654
+H	 0.1133184612	-1.8731293317	-1.6798572205	 0.102963
+H	-2.8920788164	 0.6633277567	-2.04527048	 0.112229
+H	-3.5260420683	-0.8763571359	-1.4242701285	 0.092938
+H	-2.8250694737	 0.0690066252	 0.6830912162	 0.081344
+H	-0.866080609	 1.7594480444	-0.9268575988	 0.136449
+H	-1.0951758552	 1.8599383876	 0.8319671349	 0.130944
+H	-0.9691221844	-1.7366709675	 0.9100382872	 0.097708
+19
+0 4497	2.6179655	1.503266	1.1835858	1.825	74.78	-0.23752	-0.02427	0.21325	1086.6259	0.157567	-422.584715	-422.576594	-422.57565	-422.617513	31.343
+O	-2.0889525825	-2.9415920132	-1.1146593833	-0.440734
+C	-1.1987803666	-1.8506109784	-1.3207432674	 0.128494
+C	-1.9063154705	-0.8703779327	-2.2661509647	-0.229132
+C	-2.8596566486	-0.0755854843	-1.3498945746	-0.214628
+C	-2.0781630859	 0.1142957986	-0.0389572182	-0.011173
+C	-0.9462497808	 1.1915095916	-0.0665863994	-0.364018
+C	 0.0863982737	 0.0553567442	-0.1052289136	 0.398282
+O	 1.2807952618	 0.0151460347	-0.1848234834	-0.303038
+C	-1.0007450878	-1.0314936754	-0.0253201253	-0.178377
+H	-1.6788838571	-3.5497609777	-0.4914603434	 0.282257
+H	-0.2381991867	-2.2012012057	-1.7218077015	 0.081216
+H	-1.1606427251	-0.2108154053	-2.7249372743	 0.10746
+H	-2.4195870667	-1.4020435784	-3.0701709618	 0.1139
+H	-3.1815536173	 0.8731383888	-1.7902223218	 0.095768
+H	-3.7557287443	-0.6729989041	-1.1576662936	 0.116328
+H	-2.7246913243	 0.1824637357	 0.8358318986	 0.075362
+H	-0.9260495289	 1.8666844224	-0.9284663631	 0.126709
+H	-0.8668825765	 1.7984399356	 0.8410343318	 0.131396
+H	-0.919577206	-1.6700537165	 0.8590124388	 0.083928
+19
+0 4498	2.3827705	1.5930739	1.1836872	2.5556	75.92	-0.25559	-0.03558	0.22000999999999998	1102.076	0.156474	-422.572462	-422.56392	-422.562976	-422.605516	31.992
+C	-0.0336007159	 0.1902406636	 0.086054356	-0.418129
+C	 1.4556818486	-0.1424552817	-0.0210459824	-0.044556
+C	 1.8264349922	-1.0030394368	-1.2568948696	-0.234564
+C	 3.0921711465	-1.7969441763	-0.8626751735	-0.250582
+C	 2.9649703596	-1.964360379	 0.6390323294	-0.007771
+O	 1.6757765879	-2.3653816785	 1.0867685069	-0.292847
+C	 1.9962424309	-0.9581492998	 1.1422600432	 0.313615
+C	 2.1279716086	-0.4077051804	 2.5152349268	 0.089396
+O	 1.9943558995	 0.7596678139	 2.7898153054	-0.264298
+H	-0.232125404	 0.8172580266	 0.9594970844	 0.135895
+H	-0.3752534613	 0.7296772474	-0.8029146919	 0.114847
+H	-0.6269146703	-0.7259484781	 0.1743519406	 0.125233
+H	 2.0299254628	 0.7927949791	-0.0320133103	 0.093649
+H	 1.0092504459	-1.6991384071	-1.4642198616	 0.118661
+H	 1.9743676371	-0.3957380934	-2.1529624088	 0.103813
+H	 3.1751805486	-2.755707268	-1.3837680445	 0.116567
+H	 4.0079772366	-1.2301719694	-1.0698742543	 0.112153
+H	 3.7976444855	-2.3257545162	 1.2391289835	 0.102547
+H	 2.3657439614	-1.1770889759	 3.2825734206	 0.086372
+19
+0 4499	2.5775054	1.5581798	1.145068	2.9795	75.92	-0.24218	-0.02209	0.22009	1100.3828	0.156794	-422.557991	-422.549531	-422.548586	-422.590946	31.887
+C	 0.881730132	 0.9725766225	-0.1525911648	-0.409607
+C	 0.8384727591	-0.5229000464	 0.1943990996	-0.110432
+C	 1.2279315762	-1.3993354965	-1.0276640926	-0.104475
+O	 2.6365185884	-1.6241886586	-0.9410406445	-0.249113
+C	 2.9824042244	-1.646038477	 0.4057921737	 0.106927
+C	 2.1735772707	-2.4318566023	 1.3710177876	-0.374875
+C	 1.8882295896	-0.9335911872	 1.2299992311	 0.21313
+C	 2.3077734505	-0.0751731332	 2.3560569146	 0.059223
+O	 3.0780437042	-0.4255665563	 3.2237206794	-0.284231
+H	 0.6043668871	 1.6047771036	 0.6950433162	 0.124986
+H	 1.8818220168	 1.2684328654	-0.4864857389	 0.132858
+H	 0.1790138225	 1.1892132055	-0.9631892821	 0.119361
+H	-0.1729515287	-0.7884841742	 0.5218169498	 0.08654
+H	 0.6886223156	-2.3553388236	-1.0174665926	 0.104058
+H	 1.0317357212	-0.9098429336	-1.9850092029	 0.115827
+H	 4.0347803997	-1.456350083	 0.5784256166	 0.126143
+H	 1.4301481551	-3.1337672333	 1.0112726873	 0.122127
+H	 2.6602841541	-2.6940171223	 2.303760843	 0.148617
+H	 1.8821256415	 0.9496911903	 2.3659602496	 0.072936
+19
+0 4500	2.5226911	1.6535197	1.1729478	2.668	76.11	-0.25263	-0.0229	0.22973000000000002	1076.229	0.156951	-422.566379	-422.558016	-422.557072	-422.599096	31.755
+C	 0.9473592253	 0.8146546919	-0.0527716221	-0.407855
+C	 0.813194854	-0.6613906108	 0.3159075711	 0.03862
+O	 1.0201764822	-1.5086391434	-0.8280498828	-0.268856
+C	 2.3994849286	-1.8443455022	-0.9081245608	-0.10004
+C	 2.873522723	-1.9553238945	 0.5305289616	-0.10457
+C	 1.9603309396	-2.6739290726	 1.4570475346	-0.334597
+C	 1.8442895465	-1.1526612635	 1.3332591633	 0.246249
+C	 2.2548951938	-0.3776448257	 2.519604015	 0.077544
+O	 1.7755425387	 0.6674518891	 2.8900636464	-0.272737
+H	 0.7112432671	 1.4449079455	 0.8059214216	 0.149762
+H	 1.9652975152	 1.0530380243	-0.3781531247	 0.109787
+H	 0.2620883208	 1.0417296444	-0.87378644	 0.119493
+H	-0.2101135214	-0.8645720115	 0.6509416289	 0.092629
+H	 2.4738680422	-2.7831891705	-1.4667245659	 0.115506
+H	 2.9806195086	-1.0775391221	-1.4427583064	 0.100935
+H	 3.9322368637	-1.8815844821	 0.7514996665	 0.1031
+H	 1.1429409445	-3.2530353465	 1.0413266553	 0.141818
+H	 2.3741328834	-3.0549626529	 2.3846973073	 0.124307
+H	 3.0741690743	-0.8639983367	 3.1004616809	 0.068905
+19
+0 4501	2.5608527	1.5478684	1.1487309	3.0741	75.47	-0.24331	-0.02191	0.22139999999999999	1096.531	0.157423	-422.576154	-422.567724	-422.56678	-422.609011	32.133
+O	-0.6489750669	 2.0027609925	 0.9536133553	-0.428311
+C	-0.3118680213	 0.6221407865	 0.8334479739	 0.042484
+C	-0.1749092249	-0.0792198818	 2.2039871552	-0.26199
+C	-1.5876437976	-0.6194685563	 2.536231279	-0.237141
+C	-2.218364408	-0.9181482873	 1.1840898426	-0.051531
+C	-1.4055499054	-1.664218871	 0.1859397078	-0.331618
+C	-1.4181791561	-0.1438611441	 0.1137291568	 0.215948
+C	-2.1274784505	 0.4730208066	-1.032944528	 0.05918
+O	-3.0161768002	-0.0696784836	-1.6515592842	-0.282104
+H	-1.4782272096	 2.0662909799	 1.4410328457	 0.281232
+H	 0.6343382852	 0.6219632673	 0.283490485	 0.09346
+H	 0.5437680126	-0.9012558593	 2.1353536482	 0.111525
+H	 0.2074737932	 0.6195348109	 2.9514508553	 0.113101
+H	-1.5495885256	-1.4991855948	 3.1867105661	 0.111904
+H	-2.1838166444	 0.1359144554	 3.0623289841	 0.101755
+H	-3.2976107232	-0.9580321167	 1.0880556373	 0.108753
+H	-0.4876629454	-2.1551086154	 0.4912961811	 0.11702
+H	-1.945719154	-2.146723754	-0.6208149894	 0.143051
+H	-1.7913234378	 1.498210655	-1.2888517518	 0.093281
+19
+0 4502	2.5442623	1.5470403	1.3065649	2.2621	74.71	-0.24726	-0.02025	0.22701000000000002	1063.1314	0.157925	-422.565909	-422.557922	-422.556977	-422.598291	30.761
+C	-2.7142768927	-2.3916398196	 1.472387036	-0.41657
+C	-1.6590861791	-1.282142359	 1.4364607376	 0.013726
+C	-2.2132725809	 0.0448725112	 2.0213492028	-0.190984
+C	-1.4749602071	 1.3101198317	 1.5200341921	-0.253641
+C	-1.0295589597	 1.0727932601	 0.062703029	-0.033637
+O	-1.9327861569	 0.1162066805	-0.5715124054	-0.295091
+C	-1.1686400949	-0.990779858	-0.0032891944	-0.053211
+C	 0.0288272237	-0.0372304718	 0.0633310785	 0.426539
+O	 1.2188463548	-0.1180129638	 0.0636877204	-0.306489
+H	-3.0906240878	-2.5425458592	 2.4895261923	 0.117806
+H	-3.5656563563	-2.1335462721	 0.8332569034	 0.130183
+H	-2.3021910005	-3.3435650821	 1.1222399055	 0.116577
+H	-0.7866765975	-1.6089448369	 2.0181750953	 0.091543
+H	-3.2588399385	 0.1249933859	 1.7117794848	 0.118484
+H	-2.2103791421	 0.0050777795	 3.1145055603	 0.101683
+H	-2.1389027333	 2.1776700331	 1.5831611601	 0.112793
+H	-0.5919215969	 1.5386404141	 2.1286176685	 0.118967
+H	-0.8793305313	 1.9778465341	-0.5295627182	 0.103217
+H	-1.139454613	-1.8671645976	-0.6559744585	 0.098107
+19
+0 4503	2.5645447	1.5470727	1.3160093	3.3362	74.98	-0.22388	-0.01993	0.20395	1055.4918	0.158021	-422.556187	-422.548231	-422.547287	-422.588402	30.818
+C	-2.8871385134	-2.2561647465	-1.4788479825	-0.415011
+C	-1.7162511825	-1.2724411177	-1.39932654	-0.002785
+C	-2.1248192297	 0.1148555223	-1.9488542973	-0.075669
+O	-1.3269685895	 1.19269692	-1.4596934105	-0.280322
+C	-0.9189455592	 1.0410370139	-0.1002844496	 0.010067
+C	-1.8972258605	 0.1430767772	 0.7152837783	-0.284022
+C	-1.192296935	-1.0868154105	 0.0533278662	-0.153195
+C	 0.0431165201	-0.1728097255	-0.0355403753	 0.423737
+O	 1.2260018399	-0.3328982057	 0.0239226738	-0.316858
+H	-3.7156094252	-1.9383509819	-0.8358334562	 0.120544
+H	-3.2692328466	-2.3318523931	-2.5026841152	 0.121548
+H	-2.5788753602	-3.2571474739	-1.1626305915	 0.123254
+H	-0.8889361782	-1.6678223416	-2.00091664	 0.099498
+H	-2.036308541	 0.1464562302	-3.0383842731	 0.117662
+H	-3.1812568854	 0.3000432824	-1.7048779216	 0.096328
+H	-0.6148139591	 2.0221422663	 0.2659715072	 0.096747
+H	-1.6892645801	 0.2101426169	 1.7855309247	 0.119002
+H	-2.9654007475	 0.2803657671	 0.5424935754	 0.114774
+H	-1.1114156568	-2.0332257399	 0.5916830372	 0.084702
+19
+0 4504	2.2373478	1.8596412	1.4723517	1.9594	74.76	-0.23771	-0.01469	0.22302	988.8971	0.158078	-422.565855	-422.557961	-422.557016	-422.598031	30.628
+C	-0.5706782501	-1.9035874109	-2.3060729155	-0.402864
+C	-1.6155353106	-1.337044525	-1.3458712768	 0.119051
+O	-2.2268608667	-0.1497558849	-1.8544493563	-0.264905
+C	-1.6123740374	 1.0809153469	-1.5110189134	-0.092868
+C	-1.0796552903	 1.0574767628	-0.0550077759	-0.160981
+C	-1.9337777502	 0.028559878	 0.7518951602	-0.250529
+C	-1.0597828734	-1.0810035665	 0.0842054627	-0.16369
+C	 0.0234547725	-0.0017511401	-0.0166699228	 0.436681
+O	 1.2209686172	 0.0141730504	 0.0152759844	-0.333224
+H	-0.1879601677	-2.8595897736	-1.9336110894	 0.120471
+H	-1.0201639307	-2.0697621366	-3.2885008873	 0.125624
+H	 0.280977223	-1.226809675	-2.4208128673	 0.135754
+H	-2.4450647052	-2.0499391527	-1.2599123003	 0.091601
+H	-0.7949129011	 1.3356490373	-2.2026121197	 0.109578
+H	-2.3919474342	 1.8426318947	-1.616840231	 0.117465
+H	-0.8823644999	 2.061470187	 0.3237827782	 0.090542
+H	-1.7653899772	 0.1016705491	 1.8274148236	 0.113141
+H	-3.00110117	 0.0025856729	 0.5286496716	 0.11944
+H	-0.8392965381	-2.0162067738	 0.6012716448	 0.089712
+19
+0 4505	2.2373385	1.6626048	1.4097961	2.4625	74.33	-0.23711	-0.01423	0.22288	1024.7892	0.158821	-422.578171	-422.570305	-422.569361	-422.610344	30.866
+O	-0.958669383	-2.3517141261	-2.1148240355	-0.433049
+C	-1.6007866953	-1.2881378238	-1.4380554083	 0.13525
+C	-1.5215661348	 0.0293131657	-2.2443369623	-0.232355
+C	-1.7161283356	 1.3016137216	-1.3862336779	-0.227056
+C	-1.1374198467	 1.0964716648	 0.0334438647	-0.130501
+C	-1.9373218807	-0.0420307497	 0.7385705137	-0.247088
+C	-1.0352377973	-1.0705655537	-0.0082148285	-0.165783
+C	 0.0042339532	 0.063099671	-0.0478575159	 0.410026
+O	 1.2006681063	 0.1152800041	-0.0237881133	-0.325648
+H	-0.0305782878	-2.1160986734	-2.22943258	 0.285287
+H	-2.6413270466	-1.6167078487	-1.334866985	 0.09648
+H	-0.5140096023	 0.0642542859	-2.6793500266	 0.108586
+H	-2.2177722556	 0.0032684094	-3.0868967716	 0.107089
+H	-1.2238851516	 2.1459286209	-1.8781567719	 0.114296
+H	-2.776920012	 1.5616381279	-1.295584097	 0.109209
+H	-0.9603332023	 2.0348777378	 0.560745898	 0.086992
+H	-1.783301833	-0.0610143806	 1.8191186635	 0.114321
+H	-3.0070087687	-0.0865303701	 0.5168797456	 0.101865
+H	-0.7783793063	-2.0223283731	 0.4582486883	 0.092079
+19
+0 4506	2.7796652	1.8012207	1.5604068	2.1763	73.81	-0.25057	-0.00055	0.25002	943.9984	0.159357	-422.565849	-422.558572	-422.557628	-422.597076	29.457
+C	 2.0855453155	-1.28510292	-0.6657978817	-0.402391
+C	 1.5477421873	-0.0058971299	-0.0151555376	 0.006893
+C	 2.5055069119	 1.2050847281	-0.1925954239	-0.084568
+O	 3.5799124539	 1.2408087739	 0.7557768923	-0.268398
+C	 3.1737561507	 0.8928405611	 2.0692032778	 0.143421
+O	 2.6370128635	-0.4141765963	 2.0672164742	-0.240992
+C	 1.3317187375	-0.2067562954	 1.5059474287	 0.026077
+C	 0.8903576034	 1.092023596	 2.1695789769	-0.103351
+C	 1.9917560453	 1.7422924143	 2.5324346595	-0.104585
+H	 3.0504771259	-1.5561981901	-0.2313932939	 0.144023
+H	 1.3974379077	-2.1241060452	-0.5150938525	 0.108449
+H	 2.21536925	-1.1487813391	-1.7442181831	 0.109202
+H	 0.5930705479	 0.2645279262	-0.4858614963	 0.071291
+H	 2.9851835687	 1.1739644998	-1.1749070446	 0.107157
+H	 1.9285456957	 2.1362092494	-0.1302354304	 0.095727
+H	 4.0756613908	 0.916549449	 2.6818915797	 0.090938
+H	 0.7105517214	-1.0786197868	 1.7277890968	 0.079866
+H	-0.1369891711	 1.425749033	 2.2346175259	 0.109253
+H	 2.082121224	 2.732445912	 2.9574103123	 0.111988
+19
+0 4507	2.7421003	1.7911162	1.5101868	0.8173	74.77	-0.22793	0.00702	0.23495	960.2951	0.158783	-422.561478	-422.554096	-422.553152	-422.592812	29.722
+C	 0.0191077628	 0.0602339838	-0.0208837839	-0.410348
+C	 1.5281556171	-0.1136790323	 0.0305564289	 0.143087
+O	 1.8998902181	-0.8792707458	-1.1195663526	-0.273565
+C	 3.2536174276	-1.3150394749	-1.1411331619	-0.075542
+C	 3.65508879	-1.9105254909	 0.2208725002	 0.009659
+O	 3.4802151477	-0.8525077943	 1.172116196	-0.264094
+C	 2.0536520088	-0.8099727835	 1.3091179029	-0.003417
+C	 1.6757382374	-2.285737319	 1.3257590459	-0.071125
+C	 2.6317777384	-2.94220922	 0.6770682687	-0.072829
+H	-0.3253942451	 0.6826621146	 0.8111089032	 0.11364
+H	-0.2711258902	 0.5434861685	-0.9574104131	 0.129383
+H	-0.4853800674	-0.9088687202	 0.0307134437	 0.124188
+H	 2.0254800087	 0.8692206172	-0.00956761	 0.072242
+H	 3.3238074582	-2.0494003582	-1.9505044241	 0.104363
+H	 3.9321222398	-0.4764579855	-1.3622986527	 0.096096
+H	 4.6998823541	-2.2333984049	 0.2314092574	 0.081631
+H	 1.8004453695	-0.2410073544	 2.208253298	 0.08087
+H	 0.7546500789	-2.6813354884	 1.7312591609	 0.10883
+H	 2.6671531354	-3.9937830918	 0.4257897124	 0.10693
+19
+0 4508	2.7052501	1.7849101	1.546514	2.3731	73.76	-0.23473	0.00257	0.23729999999999998	941.1057	0.160086	-422.576678	-422.569565	-422.568621	-422.6077	29.491
+O	-0.6634886016	 0.8501435565	 0.8202672441	-0.447973
+C	-1.9352975463	 0.3209590822	 0.4779903428	 0.150943
+C	-2.9773871093	 0.5291863977	 1.6052917841	-0.235465
+C	-3.5679968405	 1.9616351059	 1.6319451134	-0.217603
+C	-3.799651099	 2.4749837034	 0.1952239293	 0.038926
+O	-2.5345036245	 2.4030935233	-0.4852757646	-0.274647
+C	-2.4225753134	 1.0089657618	-0.8203207203	-0.000843
+C	-3.8449760544	 0.6362509412	-1.1949060274	-0.089398
+C	-4.6586337365	 1.5078096039	-0.6064165874	-0.081019
+H	-0.7411933726	 1.8058288277	 0.7020293804	 0.283848
+H	-1.7820517167	-0.7517974113	 0.3153322662	 0.077694
+H	-3.7857838557	-0.1959484656	 1.4716002899	 0.10076
+H	-2.4959587369	 0.2990976683	 2.5599381377	 0.106846
+H	-4.4979855767	 1.9795030367	 2.2116611009	 0.096978
+H	-2.8733752031	 2.6529975623	 2.1215295949	 0.107224
+H	-4.1389162231	 3.5144212801	 0.1792478085	 0.081619
+H	-1.679252259	 0.9038759385	-1.6152806452	 0.085967
+H	-4.1125378792	-0.2306323145	-1.7843122256	 0.108517
+H	-5.7407239114	 1.508179882	-0.6025054817	 0.107626
+19
+0 4509	2.6942554	1.7649168	1.530427	1.4484	73.89	-0.23584	-0.00154	0.23429999999999998	944.7935	0.160038	-422.567806	-422.560545	-422.559601	-422.599029	29.708
+O	 0.2719494042	-0.1026841387	 0.4714209367	-0.445352
+C	-0.4680534468	 0.9361274152	 1.0992755805	 0.131132
+C	-1.4776019308	 0.4046563645	 2.1422871888	-0.109222
+O	-2.7260538368	-0.0142850572	 1.5906002038	-0.288265
+C	-3.279750344	 0.8999569664	 0.6212946467	 0.088434
+C	-2.3225540673	 0.9669223176	-0.5765979678	-0.231976
+C	-1.2059654193	 1.8255480973	 0.0586054773	-0.078059
+C	-2.0466308753	 2.8644116417	 0.7946613681	-0.085131
+C	-3.2345145339	 2.344122895	 1.1107688819	-0.095389
+H	-0.3515072083	-0.7782942839	 0.1851727073	 0.285666
+H	 0.2824399164	 1.531696519	 1.6318740611	 0.084659
+H	-1.055319031	-0.4772270047	 2.6326409235	 0.111644
+H	-1.6368551195	 1.1732685738	 2.9092025721	 0.096647
+H	-4.2759762638	 0.5115465865	 0.4035167437	 0.075694
+H	-2.0048048298	-0.02370883	-0.912680417	 0.084998
+H	-2.7790043916	 1.4907696114	-1.4209776296	 0.101483
+H	-0.4873243636	 2.2366975357	-0.6536675666	 0.071494
+H	-1.6783984041	 3.8449957466	 1.0739828518	 0.101171
+H	-4.0106551648	 2.8080513138	 1.7066308677	 0.100372
+19
+0 4510	2.3466935	1.7665434	1.1877904	3.033	74.74	-0.24395	-0.03242	0.21153	1072.9194	0.157766	-422.573797	-422.56558	-422.564636	-422.606952	31.238
+C	-1.3011551197	-1.8084578374	-1.4102826239	-0.39127
+C	-0.8933806282	-1.2271697798	-0.0403961749	-0.090065
+C	-2.0699365702	-1.1680983128	 0.9547258835	-0.232708
+C	-2.9974649825	 0.0346602555	 0.7278937988	-0.251909
+C	-2.2146908908	 1.3278316652	 0.7888531387	 0.060585
+O	-1.1259416568	 1.3478768465	 1.7055418402	-0.242168
+C	-0.8191831667	 1.3648645319	 0.3001486308	-0.070087
+C	-0.2044498399	 0.1219750891	-0.283490274	 0.400583
+O	 0.7744478646	 0.214816018	-0.9906100715	-0.325857
+H	-1.6683526992	-2.8321324602	-1.2910710893	 0.11637
+H	-2.0966856115	-1.2189737223	-1.8790643296	 0.117137
+H	-0.4439756991	-1.8166077989	-2.0863885474	 0.143554
+H	-0.1169920138	-1.8833077122	 0.3713041987	 0.108951
+H	-2.6459774123	-2.0967549033	 0.8855346705	 0.096866
+H	-1.6801387842	-1.1080478738	 1.97401404	 0.122765
+H	-3.5057244203	-0.0236952525	-0.2430159504	 0.112142
+H	-3.7850937107	 0.0481556443	 1.4900344296	 0.113615
+H	-2.7816490984	 2.2579008115	 0.7441634112	 0.101421
+H	-0.3775922301	 2.2906872812	-0.0628375911	 0.110076
+19
+0 4511	2.5704869	1.6327267	1.1202777	1.7576	75.75	-0.23913	-0.01558	0.22355	1106.3908	0.157392	-422.565784	-422.557478	-422.556534	-422.598639	31.607
+C	 0.084076892	-2.4907694013	 0.4640237389	-0.399689
+C	-0.7774099919	-1.3203054928	-0.0062219002	-0.121078
+C	-2.0874186802	-1.1753912732	 0.7932559711	-0.085634
+O	-2.931603515	-0.1878567827	 0.2242172605	-0.25642
+C	-2.3820380297	 1.0948603887	 0.1609072368	 0.093225
+C	-1.817555821	 1.5203252985	-1.1513735371	-0.312421
+C	-0.8755502978	 1.2383161746	 0.0241499768	-0.149388
+C	-0.0289355443	 0.0110313461	 0.079024182	 0.391597
+O	 1.166915026	 0.0763759585	 0.267084725	-0.333564
+H	 0.3360594823	-2.3912475884	 1.5246309094	 0.125135
+H	-0.4404321447	-3.4403802772	 0.3216428709	 0.109741
+H	 1.0244703644	-2.5206932993	-0.0889741103	 0.14007
+H	-1.072697641	-1.4748738334	-1.0538431619	 0.104464
+H	-2.6584121012	-2.1077559757	 0.7680671474	 0.116225
+H	-1.8625592136	-0.9435238035	 1.8464006097	 0.099662
+H	-2.9035000944	 1.8215736419	 0.7795657771	 0.105624
+H	-1.8596387401	 0.7938033987	-1.9545207903	 0.132517
+H	-1.9016413778	 2.5556639724	-1.4610305286	 0.127227
+H	-0.397338862	 2.104537288	 0.4672296728	 0.112709
+19
+0 4512	2.4150846	1.7199521	1.211071	2.6677	75.82	-0.22999	-0.01641	0.21358	1071.8252	0.157711	-422.571459	-422.563296	-422.562352	-422.604157	31.375
+C	 0.1291715382	-2.3426738792	 0.531996211	-0.40411
+C	-0.8485370948	-1.3062027842	-0.0049559294	 0.027814
+O	-1.8959382962	-1.1500783739	 0.9440999863	-0.260136
+C	-2.8480205772	-0.1665974793	 0.5793642478	-0.107385
+C	-2.2233662828	 1.2146400433	 0.5668107735	-0.045575
+C	-1.1452999039	 1.4922772615	 1.5585963211	-0.292225
+C	-0.7799802027	 1.2772077166	 0.0879728125	-0.127038
+C	-0.1433395363	 0.0134283943	-0.3657885468	 0.371239
+O	 0.8456666051	 0.0018722687	-1.0671234623	-0.336876
+H	 0.527055756	-2.0250262675	 1.5003030323	 0.125321
+H	-0.3724497514	-3.3043484972	 0.662476615	 0.123177
+H	 0.9580933496	-2.4536818154	-0.1690422375	 0.145353
+H	-1.2747187512	-1.6680825937	-0.9592313857	 0.097729
+H	-3.2873427352	-0.3989022959	-0.4054833015	 0.095151
+H	-3.6460155598	-0.2272919176	 1.3266230259	 0.115668
+H	-2.8778948201	 2.0263522462	 0.264127113	 0.098355
+H	-1.0191020273	 2.5040042638	 1.925581871	 0.124666
+H	-0.8946894755	 0.7094106059	 2.2634578171	 0.140868
+H	-0.4361507444	 2.1499327534	-0.4555018533	 0.108006
+19
+0 4513	2.50573	1.6514694	1.191911	3.5641	75.17	-0.24786	-0.01911	0.22875	1070.0691	0.158839	-422.582161	-422.574285	-422.57334	-422.614539	30.996
+O	-0.8996258056	-2.3644871226	 0.5969279586	-0.441925
+C	-0.822446427	-1.300054908	-0.316355364	 0.048183
+C	-2.1468083157	-1.1583514945	-1.1147664855	-0.247759
+C	-2.9395645004	 0.1228698733	-0.8112292031	-0.229072
+C	-2.0787217529	 1.3737809103	-0.8437638911	-0.015134
+C	-0.844748956	 1.453236207	-1.6777033181	-0.308971
+C	-0.7014285846	 1.2833815337	-0.1699837479	-0.118408
+C	-0.4083792482	-0.0268914557	 0.4385963381	 0.376612
+O	 0.100328222	-0.1410158846	 1.5391566834	-0.363331
+H	-0.4124443803	-2.0545747981	 1.3788334948	 0.289265
+H	-0.0051194026	-1.4817441854	-1.0400073697	 0.088644
+H	-1.9306308615	-1.2040425686	-2.1866615077	 0.104189
+H	-2.751064302	-2.0378314316	-0.8802904855	 0.127924
+H	-3.7601788694	 0.2186464211	-1.531760171	 0.106569
+H	-3.4032368707	 0.0468602003	 0.1804581337	 0.116785
+H	-2.6080770535	 2.305509094	-0.6692129844	 0.101871
+H	-0.5766374169	 0.6207763676	-2.3173523543	 0.128853
+H	-0.5483143437	 2.4201023932	-2.0680100843	 0.127389
+H	-0.3507128609	 2.1298883986	 0.4083232381	 0.108316
+19
+0 4514	3.2762791	1.3731781	1.07833	1.6518	76.19	-0.24827	-0.00996	0.23831	1138.5766	0.157487	-422.530449	-422.522372	-422.521427	-422.56274	31.332
+C	-0.2607383481	-0.8470812707	 1.9805874555	-0.404946
+C	 1.1460082272	-0.2645348926	 1.9758555246	 0.108094
+O	 1.7031716181	-0.5896745506	 0.6925200688	-0.276004
+C	 3.1108842086	-0.4935127164	 0.5552343593	-0.086833
+C	 3.7274294726	 0.7491610784	 1.1801506117	 0.006053
+O	 4.9500361915	 0.5211853831	 1.8921807579	-0.253387
+C	 3.7755961549	 0.8515394504	 2.6485993327	 0.016985
+C	 3.1602506248	-0.2303011578	 3.4706857193	-0.111702
+C	 1.9755396346	-0.7524608644	 3.1540756662	-0.06313
+H	-0.7937183733	-0.5548293193	 2.8906479732	 0.115732
+H	-0.8210245014	-0.4858820287	 1.1148933592	 0.126284
+H	-0.2206774016	-1.9398556847	 1.9332203941	 0.124145
+H	 1.0723381252	 0.8312814388	 2.0459110977	 0.080307
+H	 3.6166917281	-1.3586046072	 1.0017411946	 0.109441
+H	 3.2959151753	-0.5145177013	-0.5233450672	 0.109992
+H	 3.7108488826	 1.6672547332	 0.5938451179	 0.096503
+H	 3.8270769365	 1.8423299371	 3.1037627594	 0.100855
+H	 3.7204390559	-0.585250996	 4.3323577328	 0.104854
+H	 1.5591089786	-1.5598115213	 3.7521192522	 0.096757
+19
+0 4515	2.5531126	1.5938081	1.3137781	0.7395	75.	-0.2621	-0.00518	0.25692	1034.2812	0.158234	-422.541849	-422.53381	-422.532865	-422.574012	31.519
+O	-0.7384477386	-2.6605537227	-1.0578577576	-0.433144
+C	-0.1287266992	-2.8128634509	 0.2267344846	 0.071225
+C	 1.3941299547	-2.523030708	 0.1643650065	-0.2296
+C	 1.8071229976	-1.0599407533	 0.4161387547	-0.229799
+C	 0.9228880159	-0.0319507379	-0.2645405933	 0.040723
+O	 0.5589122787	 1.1043076238	 0.527741581	-0.260161
+C	-0.4670552329	 0.1585630056	 0.1990703914	-0.010394
+C	-1.0111734561	-0.6984563195	 1.2911590397	-0.101657
+C	-0.8587947663	-2.0236637414	 1.3058305348	-0.060166
+H	-0.720300695	-1.7257839804	-1.2847313607	 0.280834
+H	-0.2509072552	-3.8789721967	 0.439823947	 0.090255
+H	 1.9136636707	-3.1523331907	 0.896391118	 0.103552
+H	 1.7218590802	-2.8604886558	-0.8249513386	 0.112253
+H	 1.7623243988	-0.8463456735	 1.4869185414	 0.123099
+H	 2.8487342828	-0.9141615698	 0.108973968	 0.103268
+H	 1.1555926638	 0.2121604763	-1.3023774955	 0.094002
+H	-1.2037879515	 0.5643134436	-0.4993440067	 0.102352
+H	-1.5733186241	-0.1963426571	 2.0751361987	 0.104643
+H	-1.2925436542	-2.5963569916	 2.1218314566	 0.098715
+19
+0 4516	2.6169833	1.6509423	1.3550338	1.1297	76.98	-0.2357	0.01022	0.24592	1020.6531	0.157754	-422.532406	-422.524396	-422.523452	-422.564455	31.557
+O	-0.2999015068	 1.7798955193	-2.5977568259	-0.4281
+C	 0.5382892371	 2.4875636258	-1.6783774812	 0.023801
+C	 0.6324355108	 1.7666851629	-0.3115594351	-0.084529
+O	 1.6349167521	 0.7792707279	-0.1856852595	-0.241623
+C	 1.687119123	-0.1709059528	-1.2071835036	 0.117421
+C	 3.0737571357	-0.6290599928	-1.5487940489	-0.328864
+C	 2.293036223	 0.2384759946	-2.5232896131	-0.079017
+C	 2.655572098	 1.6660714708	-2.7257392073	-0.059788
+C	 1.8836456956	 2.6820340682	-2.3402370976	-0.042056
+H	-1.1631050648	 1.6767403116	-2.1823314475	 0.276478
+H	 0.0958684815	 3.4751897057	-1.4722300913	 0.068771
+H	 0.8603281696	 2.4996592432	 0.4697033456	 0.109501
+H	-0.3626333543	 1.3421504842	-0.0866678616	 0.073084
+H	 0.8674853545	-0.8896674181	-1.2082857128	 0.078827
+H	 3.8723089977	-0.1556351092	-0.9883451904	 0.123611
+H	 3.2371767624	-1.6718348214	-1.7966632254	 0.11037
+H	 1.914326379	-0.2718005427	-3.4060950292	 0.102335
+H	 3.5968567934	 1.8731291646	-3.2324907521	 0.090713
+H	 2.2049898724	 3.7041521682	-2.5159958332	 0.089066
+19
+0 4517	2.7761739	1.796019	1.4213788	2.4209	74.23	-0.22745	0.07739	0.30484	978.0549	0.15829	-422.515333	-422.507954	-422.50701	-422.546902	29.433
+C	 4.3704506323	 2.0163358171	-0.334233979	-0.392134
+C	 3.519019151	 0.7781869625	-0.0809083308	 0.118522
+O	 2.6412472925	 0.6655710776	-1.1967202795	-0.257211
+C	 1.5428981534	-0.2094982505	-1.0566006372	-0.091671
+C	 0.7593397016	 0.0816049938	 0.2168149486	 0.086555
+O	 0.6096169378	 1.5206965866	 0.4075483626	-0.291717
+C	 1.4610385133	 1.4554830432	 1.549882713	 0.0929
+C	 1.5885104733	-0.044625733	 1.5039324157	-0.19018
+C	 2.8023520751	 0.8197520217	 1.262322053	-0.075931
+H	 5.1369054823	 2.1226625106	 0.4398398904	 0.107431
+H	 4.8654575473	 1.939746839	-1.3060021894	 0.12284
+H	 3.7420033026	 2.9112105294	-0.3341615666	 0.132212
+H	 4.1751129467	-0.1120934312	-0.0560688812	 0.062417
+H	 0.924189081	-0.0436420634	-1.9441771775	 0.114345
+H	 1.8532528185	-1.2696969314	-1.0471757607	 0.085994
+H	-0.2118501526	-0.421729495	 0.2326062963	 0.084247
+H	 1.2680074433	 2.1478991114	 2.36111489	 0.105054
+H	 1.4945846121	-0.8076502376	 2.2645753581	 0.094798
+H	 3.4812440585	 0.8668475991	 2.1114834641	 0.09153
+19
+0 4518	2.8008885	1.6918825	1.290712	1.2332	73.25	-0.23002	0.08014	0.31016	1009.7261	0.159002	-422.530423	-422.523064	-422.52212	-422.561866	29.819
+O	 1.9353306273	-1.6345235638	 2.4346410077	-0.439563
+C	 0.9923885991	-0.9166807175	 1.6433540828	 0.111372
+C	 0.9353456678	-1.6231028931	 0.2862484798	-0.198104
+C	 0.0224302791	-0.902340468	-0.7225492851	-0.230495
+C	 0.0787848657	 0.6151683647	-0.564653833	 0.108875
+O	-0.7450483709	 1.0661930326	 0.5644568366	-0.305257
+C	 0.4083251294	 1.6271225623	 1.1945904909	 0.079209
+C	 1.33573244	 1.2016664282	 0.0918289733	-0.169462
+C	 1.414933	 0.5468182325	 1.4642928422	-0.105331
+H	 1.8894437721	-1.2915482603	 3.3324928709	 0.279622
+H	-0.0020673605	-0.950581429	 2.1121767641	 0.079194
+H	 1.9623979838	-1.6498512298	-0.0967534584	 0.106616
+H	 0.6199256931	-2.6606932106	 0.4270284882	 0.101719
+H	 0.3057373987	-1.1806358319	-1.7437157888	 0.099834
+H	-1.0239732149	-1.2021223069	-0.5926026763	 0.115131
+H	-0.24096645	 1.1415568112	-1.4691095919	 0.083067
+H	 0.287778554	 2.550061469	 1.7494707202	 0.10077
+H	 2.15472742	 1.7075169614	-0.3997610077	 0.095128
+H	 2.2791216862	 0.8503740489	 2.0490285445	 0.087674
+19
+0 4519	2.8235706	1.7683136	1.4063293	1.8929	73.22	-0.23794	0.08169	0.31963	967.2853	0.159842	-422.530291	-422.523115	-422.52217	-422.561581	29.339
+O	 2.8342353454	 1.1078555019	-1.5420354132	-0.434766
+C	 1.854082746	 2.1446184275	-1.5734655473	 0.088328
+C	 0.4401142604	 1.5527696943	-1.6283849189	-0.117733
+O	-0.0338719036	 1.1365052864	-0.3529314881	-0.272781
+C	 0.0294961209	 2.1606809493	 0.6243717964	 0.106082
+C	-0.3589991998	 3.6144319476	 0.1771478331	-0.280352
+C	 1.1108278735	 4.0114283448	 0.3007694486	-0.08713
+C	 1.4498473555	 2.6641237637	 0.9494737029	-0.103815
+C	 2.0690609685	 3.0464538074	-0.3648208336	-0.043681
+H	 2.6672751455	 0.5979024524	-0.7403192027	 0.282906
+H	 2.0455914364	 2.6852441717	-2.5071820813	 0.087073
+H	-0.2578717714	 2.2665128924	-2.0865943419	 0.09375
+H	 0.4645035854	 0.6560020054	-2.252449077	 0.114575
+H	-0.5386350854	 1.7927337001	 1.4792580317	 0.08823
+H	-0.8665521497	 3.7535591025	-0.780391357	 0.102312
+H	-0.9619321078	 4.0902905878	 0.9547631144	 0.10631
+H	 1.4621137649	 4.9931112895	 0.5959243546	 0.088796
+H	 2.0175550907	 2.4464882676	 1.8455633008	 0.085017
+H	 3.1033265949	 3.3710835277	-0.2848768116	 0.096879
+19
+0 4520	3.0952778	1.5214881	1.2532492	1.4629	75.04	-0.23781	0.01718	0.25499	1038.8143	0.159364	-422.57989	-422.572297	-422.571352	-422.612041	29.844
+O	 0.4075838964	 0.6369823666	 0.1954705178	-0.443485
+C	-0.7734413359	-0.0247252272	 0.6191479078	 0.133757
+C	-1.087094953	 0.2732436168	 2.085148248	-0.12741
+O	-1.6499233511	 1.5848179674	 2.0474016445	-0.279079
+C	-2.5095681767	 1.6653916232	 0.9013969215	 0.092738
+C	-3.992538244	 1.3539948051	 1.239193391	-0.276379
+C	-4.2481843659	 0.0192274095	 0.5878561074	-0.071031
+C	-3.2093380469	-0.404501131	-0.1308803092	-0.084732
+C	-2.0370455945	 0.5412469355	-0.0789969994	-0.115338
+H	 0.3620870328	 1.5360374538	 0.5425117648	 0.286074
+H	-0.6217824357	-1.0878146762	 0.4160354238	 0.08575
+H	-1.7948846974	-0.4580996734	 2.5017996355	 0.097543
+H	-0.1917672081	 0.3046355679	 2.710569853	 0.113642
+H	-2.3932260163	 2.6759620127	 0.5027999381	 0.082004
+H	-4.1346743124	 1.3412356806	 2.3262172323	 0.118993
+H	-4.6664646108	 2.1268825235	 0.8474351858	 0.107596
+H	-5.1905774437	-0.5084074408	 0.6904842428	 0.096215
+H	-3.175679121	-1.330252472	-0.6955243095	 0.09615
+H	-1.7520341258	 0.9116071578	-1.0685487359	 0.086994
+19
+0 4521	3.4432985	1.3254851	1.0809033	1.8296	78.25	-0.24058	0.007	0.24758	1147.2785	0.157809	-422.526526	-422.518557	-422.517613	-422.558871	30.699
+C	 0.0191099353	 1.5433313316	-0.0831323982	-0.39205
+C	-0.0140502339	 0.0115264435	 0.009009417	 0.105213
+O	-1.3675417259	-0.4622432687	-0.0712433387	-0.274637
+C	-2.0694676009	-0.6420597252	 1.1568516352	-0.130256
+C	-1.3336183528	-1.7588230813	 1.888922834	 0.086191
+O	-1.4268735552	-1.8683047088	 3.3372641541	-0.306856
+C	 0.0232735133	-1.7745294482	 3.4715624492	-0.156658
+C	 0.1001113381	-1.3463170314	 2.0284867448	 0.220509
+C	 0.7133685382	-0.4761707585	 1.2441409602	-0.240865
+H	 1.0513409139	 1.9048457709	-0.1376611258	 0.114558
+H	-0.5125214193	 1.871223766	-0.9797788905	 0.1272
+H	-0.4539917216	 2.0009699415	 0.7912077041	 0.122339
+H	 0.4588418165	-0.3970872036	-0.894072278	 0.100185
+H	-2.0784984837	 0.2627421083	 1.7805783063	 0.099114
+H	-3.0959857264	-0.8904674462	 0.8754443876	 0.109997
+H	-1.5246266065	-2.7288886048	 1.4116795085	 0.088654
+H	 0.3303088438	-1.0454325466	 4.2299089035	 0.119513
+H	 0.4639771166	-2.7525991883	 3.7098228052	 0.109706
+H	 1.6629810503	-0.0102063603	 1.4913519315	 0.098144
+19
+0 4522	3.2137633	1.3225243	1.0695551	0.659	77.75	-0.24469	0.00241	0.2471	1144.9321	0.158506	-422.543027	-422.535118	-422.534174	-422.575303	30.859
+O	 0.123395702	 1.4330124728	-0.0452521305	-0.432704
+C	 0.0256978563	 0.0046601511	-0.042712117	 0.108421
+C	-1.449835971	-0.4680357225	-0.1095687722	-0.236227
+C	-2.135337423	-0.5889176923	 1.2717794534	-0.259183
+C	-1.3350565743	-1.6440316027	 2.0147611947	 0.110504
+O	-1.3263365237	-1.6806106365	 3.4720714713	-0.310291
+C	 0.1308311676	-1.6780385417	 3.4943003864	-0.163672
+C	 0.1248452488	-1.2980861458	 2.0349418046	 0.253467
+C	 0.7656070688	-0.5313046234	 1.1663524932	-0.266535
+H	-0.1665847369	 1.7424347854	 0.8201711907	 0.278035
+H	 0.5258561763	-0.2913881966	-0.9721339845	 0.093445
+H	-1.9861010739	 0.2335508798	-0.7537047981	 0.113035
+H	-1.4870367076	-1.4477593439	-0.6037445164	 0.101771
+H	-2.0852171155	 0.3576893372	 1.822551592	 0.097398
+H	-3.1905174251	-0.8550905554	 1.1595569141	 0.103331
+H	-1.5667418923	-2.646261816	 1.6214242814	 0.081955
+H	 0.540357198	-0.9483505951	 4.2019791336	 0.119985
+H	 0.5302655913	-2.6743863364	 3.7306646242	 0.109497
+H	 1.7692443241	-0.1495503279	 1.333885329	 0.097769
+19
+0 4523	3.1224991	1.4011366	1.1421593	1.9372	78.43	-0.24124	0.00714	0.24838000000000002	1111.6834	0.158586	-422.544108	-422.536298	-422.535354	-422.576251	30.75
+O	 0.0007772233	 1.4729806051	 0.1497648469	-0.431902
+C	 0.0278843206	 0.0519969762	 0.0006535487	 0.094475
+C	-1.3972510839	-0.5202947874	-0.136082233	-0.122434
+O	-2.0635673186	-0.6224555777	 1.1243250909	-0.27062
+C	-1.3900475809	-1.5885700759	 1.8947667765	 0.086155
+C	-1.4147976939	-1.5015149298	 3.4462374081	-0.261185
+C	 0.1254602557	-1.8143477536	 3.4341943886	-0.321552
+C	 0.0967657906	-1.3643618866	 1.9879595614	 0.298822
+C	 0.7666824487	-0.5618993597	 1.1721215629	-0.27317
+H	-0.470507005	 1.6462356373	 0.9734882056	 0.278768
+H	 0.556697172	-0.1184236474	-0.9446767682	 0.090283
+H	-1.9911489352	 0.1579477218	-0.7526454606	 0.116877
+H	-1.3644183964	-1.5076430306	-0.6250996142	 0.088918
+H	-1.6578126061	-2.6043663711	 1.5557881744	 0.07217
+H	-1.6076822573	-0.4753586674	 3.7653147727	 0.11889
+H	-2.073143076	-2.1899254162	 3.9790282042	 0.106132
+H	 0.7662032537	-1.2611355581	 4.1238200433	 0.117771
+H	 0.3212791669	-2.8850708163	 3.5535948144	 0.116475
+H	 1.7726008219	-0.2024062825	 1.3714346873	 0.095128
+19
+0 4524	2.8800999	1.5797963	1.1214514	3.1144	77.09	-0.24932	0.00209	0.25141	1104.8125	0.158344	-422.560149	-422.55215	-422.551206	-422.592801	30.117
+C	 0.2853771804	 1.4398803947	-0.2968996869	-0.413116
+C	-0.0393569056	-0.0166005972	 0.0149230813	-0.100322
+C	-1.4768259422	-0.2490176928	 0.5757226056	-0.074771
+O	-1.4571861973	-1.4805709552	 1.3114095531	-0.273689
+C	-0.1140922095	-1.8253582005	 1.6177183663	 0.189744
+O	 0.1778853076	-1.9717775351	 2.9907629542	-0.274218
+C	 1.311034863	-1.1589231711	 3.3168124726	-0.111048
+C	 1.5097796521	-0.254544617	 2.1248862313	-0.235594
+C	 0.6932082975	-0.6441963468	 1.1538610246	 0.216545
+H	 1.3101415831	 1.544405593	-0.6661073231	 0.124088
+H	-0.3862797019	 1.8361559823	-1.0650513415	 0.121352
+H	 0.182525148	 2.0623659922	 0.5979585675	 0.1231
+H	 0.0743779928	-0.6261768916	-0.8920608607	 0.091832
+H	-1.7506136487	 0.5869621498	 1.2359717394	 0.099394
+H	-2.2344340886	-0.3347570283	-0.2093018658	 0.108128
+H	 0.0894948729	-2.7869129437	 1.1210903027	 0.07349
+H	 1.0996700154	-0.5806723273	 4.2270888495	 0.116351
+H	 2.1774349374	-1.8030550806	 3.5327413557	 0.110196
+H	 2.1419491235	 0.6241054654	 2.1487330343	 0.108538
+19
+0 4525	2.9964716	1.5272773	1.1099811	1.9023	77.21	-0.23868	0.00486	0.24354	1109.003	0.158098	-422.554359	-422.546354	-422.545409	-422.587041	30.248
+C	 0.1490829604	 1.519971604	-0.1068640027	-0.392247
+C	-0.0139770412	 0.0083985879	 0.0160924614	 0.043565
+O	-1.4093121245	-0.3425422714	 0.2102327631	-0.291825
+C	-1.6077353814	-0.9608424824	 1.4887552608	-0.106401
+C	-0.2647393871	-1.6475782179	 1.77499426	 0.051907
+O	 0.1355922568	-1.8076418494	 3.1224524034	-0.28022
+C	 1.4384597653	-1.2273933725	 3.2798021406	-0.110674
+C	 1.6335627211	-0.3539497257	 2.0590477945	-0.275339
+C	 0.6609481943	-0.6136731895	 1.1961451253	 0.284734
+H	 1.1942727825	 1.7760487342	-0.3110016824	 0.114842
+H	-0.4647475991	 1.8968157899	-0.92909176	 0.128254
+H	-0.1578007092	 2.0179945684	 0.8168268203	 0.123003
+H	 0.2996728183	-0.4664505942	-0.9248578059	 0.093115
+H	-1.8153510505	-0.2217126771	 2.2766362471	 0.097352
+H	-2.462185525	-1.6356663505	 1.3947318031	 0.108947
+H	-0.2176405682	-2.6114495008	 1.2410674467	 0.082518
+H	 1.4596295652	-0.6476911437	 4.2122941246	 0.114928
+H	 2.2008179556	-2.0192762185	 3.3693972104	 0.105285
+H	 2.4156953067	 0.3906334092	 1.9820758397	 0.108255
+19
+0 4526	2.8601061	1.5334982	1.1000815	0.2675	77.19	-0.23473	0.00318	0.23790999999999998	1107.9076	0.158669	-422.565794	-422.557847	-422.556903	-422.598418	30.516
+O	 0.0311543629	 1.3584096134	 0.2777113536	-0.424512
+C	 0.0642585056	-0.038776337	 0.0262308968	 0.032448
+C	 0.6374835649	-0.4396370584	-1.3821865415	-0.249929
+C	-0.5533652161	-0.9828562087	-2.2153649671	-0.25008
+C	-1.4162144546	-1.6571800857	-1.1326147847	 0.081959
+O	-2.8076503441	-1.7914226865	-1.3801938276	-0.284898
+C	-3.5317409635	-1.1733691057	-0.3092912519	-0.111073
+C	-2.5064449555	-0.3686138726	 0.4567697969	-0.265044
+C	-1.2979490316	-0.6737558535	-0.0006786549	 0.267385
+H	-0.6691870059	 1.7313107732	-0.2694224056	 0.274959
+H	 0.703447768	-0.4423572458	 0.8184842549	 0.101843
+H	 1.1389276699	 0.4153519751	-1.841445643	 0.112016
+H	 1.3904700679	-1.225007071	-1.2547486662	 0.106445
+H	-1.1340115268	-0.1652813698	-2.6570328903	 0.102098
+H	-0.2417319167	-1.6513370498	-3.0216255975	 0.101961
+H	-0.9880717226	-2.6444276549	-0.8846189641	 0.076439
+H	-4.3268697137	-0.5420197759	-0.7301177061	 0.110277
+H	-4.022926933	-1.940716049	 0.3124418641	 0.10495
+H	-2.7638589849	 0.3712171226	 1.2042701042	 0.112755
+19
+0 4527	2.7519763	1.5784549	1.0925096	1.2318	77.46	-0.23749	0.01414	0.25163	1114.2398	0.158624	-422.564306	-422.556264	-422.55532	-422.596931	30.636
+O	 0.0510890027	 1.2619779581	 0.454039529	-0.426435
+C	 0.0420588743	-0.0754344003	 0.0033715197	-0.02842
+C	 0.3621903779	-0.2447448118	-1.5158956333	-0.101742
+O	-0.3065805554	-1.4230160138	-1.9669741092	-0.283806
+C	-1.3423419366	-1.7621303877	-1.0302182081	 0.082612
+C	-2.7988841706	-1.7367891305	-1.5343102323	-0.241315
+C	-3.5923418024	-1.1366928695	-0.3343900898	-0.253159
+C	-2.5434899493	-0.2971186039	 0.3755827647	-0.21422
+C	-1.324861926	-0.6628644395	-0.0051631965	 0.292279
+H	 0.9665194386	 1.543010148	 0.5443525808	 0.289028
+H	 0.7342793889	-0.6980651148	 0.5939159682	 0.080751
+H	-0.0101245961	 0.6523113891	-2.0323835534	 0.101609
+H	 1.4317494175	-0.3550503092	-1.7264113902	 0.095474
+H	-1.0916120737	-2.7490548034	-0.6106912123	 0.075607
+H	-2.8512335696	-1.0563324934	-2.3902137531	 0.113857
+H	-3.1691358429	-2.7142553336	-1.8538282304	 0.095577
+H	-4.4541947855	-0.5413701933	-0.6548858726	 0.106703
+H	-3.9908731758	-1.9270249131	 0.3170786277	 0.108857
+H	-2.780011776	 0.5124178025	 1.055472321	 0.106744
+19
+0 4528	2.2200961	1.6869733	1.0001407	3.467	79.2	-0.25179	-0.05467	0.19712000000000002	1185.0466	0.157198	-422.60674	-422.598	-422.597056	-422.63992	32.951
+C	 1.2738423555	 0.9519469766	 0.4540033292	-0.480112
+C	-0.0357248529	 0.2167156198	 0.3794888235	 0.218827
+C	-0.1477886232	-1.1221808	 0.3361001971	-0.125064
+C	-1.4454744538	-1.8728062591	 0.2196474134	-0.275357
+C	-2.5954899143	-0.9896943183	-0.2812155476	-0.235511
+C	-2.605638362	 0.3295666511	 0.4903659304	 0.059673
+O	-3.6542634978	 1.1655205006	 0.0882812078	-0.446907
+C	-1.263323245	 1.040645117	 0.3219255542	 0.294542
+O	-1.243956772	 2.2500623056	 0.1646110074	-0.355374
+H	 1.3177484051	 1.5849082501	 1.3468550773	 0.137999
+H	 2.1172517289	 0.2575754606	 0.4748142247	 0.117663
+H	 1.3887506683	 1.6230183534	-0.4029728744	 0.145833
+H	 0.7583624812	-1.7240625257	 0.388112466	 0.100842
+H	-1.3078753676	-2.7404175807	-0.435793524	 0.117294
+H	-1.6967873313	-2.2926492115	 1.2066621413	 0.124689
+H	-2.466753927	-0.7707382934	-1.3478587203	 0.11235
+H	-3.5599102357	-1.4926932293	-0.1664805286	 0.113158
+H	-2.6896478896	 0.0945913632	 1.5707221362	 0.085029
+H	-3.2571769668	 2.0492232601	 0.0206510664	 0.290426
+19
+0 4529	2.2993364	1.6784438	1.0127796	2.7864	79.56	-0.23149	-0.05084	0.18065	1186.4502	0.155894	-422.588899	-422.57978	-422.578836	-422.622723	33.387
+C	-3.606124183	 1.040814462	-0.6981429469	-0.39907
+C	-2.5331041754	 0.2966471969	 0.0786533672	 0.015344
+O	-2.4014197816	-1.0033071971	-0.4801742878	-0.253284
+C	-1.4546304825	-1.8047221178	 0.1866632434	-0.130994
+C	-0.1257589782	-1.1292272931	 0.3481327794	-0.156124
+C	 0.0280813365	 0.1983887722	 0.2415315466	 0.211943
+C	 1.3446212879	 0.9146972065	 0.3401496332	-0.476844
+C	-1.186728089	 1.0375512021	 0.0779220952	 0.304749
+O	-1.128446329	 2.2502355547	 0.0227976226	-0.325912
+H	-3.6861764777	 2.0641511607	-0.328635248	 0.141093
+H	-3.3445268924	 1.0749975882	-1.7593927576	 0.129199
+H	-4.5683568373	 0.5348220092	-0.5913927588	 0.119074
+H	-2.8369595014	 0.2121094275	 1.1410030343	 0.085623
+H	-1.8328805514	-2.1197693222	 1.1796356768	 0.104678
+H	-1.3457337756	-2.7174302018	-0.4101359001	 0.125696
+H	 0.7272263378	-1.7711543324	 0.561739397	 0.104433
+H	 1.3246268385	 1.6569591639	 1.1443284582	 0.141932
+H	 2.1639630798	 0.2143583798	 0.5202352732	 0.11539
+H	 1.5526840338	 1.4686110206	-0.5812353979	 0.143077
+19
+0 4530	2.826515	1.1833541	0.8622899	2.6455	81.06	-0.25101	-0.05481	0.1962	1326.1495	0.156455	-422.583622	-422.574866	-422.573921	-422.617108	32.343
+C	-3.4699221059	-0.6980577254	-0.3437192038	-0.401361
+C	-2.109562725	-1.219203114	 0.0895247055	 0.119439
+C	-0.9667731824	-0.2353231655	-0.1852857226	-0.305291
+C	 0.3638718168	-0.9175559027	-0.0024682154	 0.205379
+C	 1.5731120403	-0.1030203164	 0.2037178177	 0.09015
+O	 1.5837718044	 1.1065364208	 0.2470625542	-0.27377
+C	 0.4582447179	-2.2537333853	 0.0037289855	-0.145021
+C	-0.7358040147	-3.1349470994	-0.2012763796	-0.124042
+O	-1.884969658	-2.4384549162	-0.6224754303	-0.260115
+H	-3.7034563374	 0.237937495	 0.1722825827	 0.119289
+H	-3.4780456516	-0.512023917	-1.4221035511	 0.126962
+H	-4.250670507	-1.4282012113	-0.1154712324	 0.123463
+H	-2.1273526786	-1.4391263156	 1.1711464344	 0.068071
+H	-1.0509416747	 0.1590386948	-1.2062576461	 0.121589
+H	-1.0277783522	 0.6306318223	 0.4824665319	 0.125961
+H	 2.5098334137	-0.6936631377	 0.3238741842	 0.066301
+H	 1.4159780482	-2.741746508	 0.1750309191	 0.106462
+H	-0.524844889	-3.8856824771	-0.9734418514	 0.128705
+H	-0.9295622249	-3.6963818612	 0.7333457277	 0.107829
+19
+0 4531	2.8561202	1.1983991	0.9808371	3.3562	79.75	-0.25282	-0.05595	0.19687	1237.5281	0.157382	-422.595182	-422.58649	-422.585546	-422.628575	32.494
+O	-1.305165713	 2.9909074094	-1.7898897538	-0.443092
+C	-1.1182225547	 3.0330143193	-0.3762632815	 0.114743
+C	-2.2605551173	 2.3105275913	 0.3544015892	-0.21785
+C	-2.2831600029	 0.8146077351	 0.0020512252	-0.269244
+C	-0.9091214076	 0.2122115848	-0.0237050109	-0.121436
+C	 0.2248757881	 0.9323747474	-0.0096465828	 0.199124
+C	 0.2374524359	 2.4427727632	 0.0334698861	-0.325523
+C	 1.5154062573	 0.2197044212	-0.0420466615	 0.087412
+O	 2.5973086002	 0.7621161228	-0.0454932809	-0.272475
+H	-1.013325151	 2.1283092238	-2.1033836444	 0.283003
+H	-1.1401498083	 4.097494359	-0.121875647	 0.087181
+H	-2.1211395325	 2.4334672697	 1.4354349508	 0.101341
+H	-3.2160380125	 2.7736770823	 0.0926676504	 0.107521
+H	-2.918101855	 0.2581700031	 0.701924208	 0.119317
+H	-2.7491641548	 0.6661269984	-0.9836132495	 0.127375
+H	-0.8388569898	-0.8739831432	-0.0739100848	 0.101028
+H	 0.5066138705	 2.7771650278	 1.0437036031	 0.121768
+H	 1.0260941989	 2.8227004424	-0.6235875405	 0.133497
+H	 1.4269333286	-0.8906382979	-0.0631614852	 0.066309
+19
+0 4532	2.5787235	1.4008368	0.9497841	3.7754	79.66	-0.24864	-0.05828	0.19036	1242.4295	0.156523	-422.598307	-422.589221	-422.588277	-422.63249	33.244
+C	 1.3335112757	-4.1028639109	 0.3801622874	-0.490266
+C	 0.3166178572	-3.2638983568	 1.129929085	 0.311751
+O	-0.5233580717	-3.7892833601	 1.8467742872	-0.334043
+C	 0.3491071167	-1.795779838	 0.9921547111	 0.217229
+C	 1.1986541379	-1.0497440244	 0.2736315214	-0.173247
+C	 0.8845878837	 0.4202305813	 0.3687123003	-0.26508
+C	-0.1261338247	 0.4920543083	 1.539657325	-0.23182
+C	-0.7008300747	-0.9319123129	 1.6829924153	 0.046526
+O	-0.8967641687	-1.2428107135	 3.0471435079	-0.443842
+H	 2.3517212578	-3.8195026784	 0.6664484629	 0.143276
+H	 1.16972688	-5.1557470646	 0.6115603835	 0.144457
+H	 1.243770091	-3.9466590135	-0.6999117167	 0.141174
+H	 2.0106656402	-1.4332529023	-0.3360436648	 0.104166
+H	 1.7796006399	 1.0315333443	 0.5294326029	 0.116162
+H	 0.4457953258	 0.7709657313	-0.5763617405	 0.12045
+H	 0.3964113963	 0.7158166303	 2.4743112311	 0.123875
+H	-0.8972481579	 1.2512222176	 1.3955556321	 0.10466
+H	-1.6536851772	-1.0278894621	 1.1332566854	 0.071061
+H	-1.1021765072	-2.1882979357	 3.0672564634	 0.29351
+19
+0 4533	2.6570159	1.3475111	0.9590905	3.2531	79.78	-0.24105	-0.05746	0.18358999999999998	1245.6518	0.155154	-422.584544	-422.575064	-422.57412	-422.61944	33.635
+C	 2.8255149532	-1.877787042	 1.1102571268	-0.399533
+C	 1.6502213769	-2.1851766473	 0.1850412424	 0.051969
+O	 1.1769338162	-3.5220433324	 0.4241324846	-0.28285
+C	-0.2058469428	-3.5213852932	 0.7377426619	-0.1113
+C	-0.6164568338	-2.0814191151	 0.7167971495	-0.219533
+C	 0.4274858387	-1.3131447279	 0.3927568819	 0.21707
+C	 0.4518391255	 0.1525351182	 0.1921940932	 0.30749
+C	-0.8263815265	 0.9347225169	 0.4422321178	-0.492213
+O	 1.4711073432	 0.7072740884	-0.1738571377	-0.306076
+H	 2.5082547715	-1.9034388962	 2.1575106778	 0.10863
+H	 3.6092314071	-2.6270865277	 0.9688539239	 0.122779
+H	 3.2299570224	-0.8894012308	 0.8820989215	 0.14352
+H	 1.9933801487	-2.1141233855	-0.858178898	 0.094703
+H	-0.7719993643	-4.1144625944	-0.00019371	 0.112213
+H	-0.3780106118	-3.9912041617	 1.7197945674	 0.113509
+H	-1.6271970247	-1.7523192534	 0.9236380026	 0.114966
+H	-1.171612515	 0.7956943623	 1.4721126797	 0.139701
+H	-0.6358712982	 1.9928515889	 0.2608761369	 0.144748
+H	-1.6276287164	 0.5902406028	-0.2199824221	 0.140209
+19
+0 4534	3.0793077	1.2627337	1.0094762	2.1521	79.25	-0.23118	0.00194	0.23312	1206.7373	0.156375	-422.535371	-422.526636	-422.525692	-422.569476	31.793
+C	 1.2903158071	-1.5425865585	 2.8272658532	-0.39067
+C	 0.0923454123	-1.9400967829	 1.9635468005	 0.03279
+O	-0.8212494649	-2.7303201504	 2.7362290966	-0.280851
+C	-2.1047142976	-2.11988101	 2.783852652	-0.112295
+C	-1.9779441781	-0.8800843569	 1.9518554022	-0.230489
+C	-0.7442574227	-0.7790454731	 1.4591999787	 0.32673
+C	-0.2769775866	 0.2688331147	 0.5329816404	-0.029224
+C	 0.7022216918	 0.0209267277	-0.5435458537	-0.189053
+O	 1.0848615126	 0.7237776113	 0.6337117023	-0.226334
+H	 1.773176386	-2.4413272889	 3.2210836954	 0.118259
+H	 2.0121627638	-0.9678999623	 2.2428631466	 0.13467
+H	 0.9600552062	-0.9277394265	 3.6699469455	 0.115567
+H	 0.4502459664	-2.5570286264	 1.1224151858	 0.077358
+H	-2.8652483952	-2.8117927709	 2.3869428251	 0.105679
+H	-2.3848532694	-1.9024174696	 3.827297179	 0.106921
+H	-2.7965231155	-0.191682719	 1.7789098957	 0.102918
+H	-0.9917760274	 1.0753625524	 0.3689974858	 0.095931
+H	 1.1378608362	-0.969578075	-0.6620182381	 0.121285
+H	 0.6514033348	 0.6176984741	-1.4534168331	 0.120811
+19
+0 4535	3.1015126	1.3176535	1.020264	1.8247	78.33	-0.23687	0.00811	0.24498	1186.6793	0.157916	-422.547034	-422.538775	-422.537831	-422.579943	31.445
+O	 0.9668238089	-2.5924059461	 1.0889434643	-0.443253
+C	 0.1143162173	-1.9554093837	 2.0307947378	 0.044381
+C	-0.9607901582	-2.9356089975	 2.5282896516	-0.225845
+C	-2.2153580331	-2.0672862633	 2.7874698049	-0.258108
+C	-1.9667238592	-0.8515679717	 1.9256838416	-0.188244
+C	-0.7107457543	-0.7985347199	 1.4782543989	 0.314261
+C	-0.1131718717	 0.2405663793	 0.612904056	-0.055832
+C	 0.5274335296	-0.0875677009	-0.676307879	-0.185884
+O	 1.3231977323	 0.2177479466	 0.4729859025	-0.250794
+H	 1.6631849191	-1.9531562956	 0.8935945188	 0.291872
+H	 0.7222351823	-1.5806404487	 2.8712548613	 0.077691
+H	-1.1521408265	-3.6387777046	 1.7114376098	 0.117952
+H	-0.6410092407	-3.5117605692	 3.3992364954	 0.09962
+H	-3.1494380885	-2.5823270257	 2.5368396879	 0.106428
+H	-2.2980299083	-1.7828584704	 3.8460416001	 0.109451
+H	-2.7321340466	-0.1074436087	 1.7275604782	 0.088973
+H	-0.523554341	 1.2455694944	 0.7115087398	 0.103215
+H	 0.5558207172	-1.1266120525	-0.9944593852	 0.133286
+H	 0.5504578214	 0.6613784282	-1.466096565	 0.12083
+19
+0 4536	3.0959683	1.1084673	0.8964754	2.5659	79.06	-0.23548	-0.0341	0.20138	1303.8418	0.155078	-422.571723	-422.562319	-422.561375	-422.607193	32.973
+C	-0.8949582889	 2.0492682554	-2.2966754366	-0.402168
+C	-1.1708969357	 2.8144984285	-1.0019130896	 0.059158
+O	-2.5361764868	 3.2420219659	-0.9781265225	-0.27752
+C	-3.1710008551	 2.8305791885	 0.2272867954	-0.110909
+C	-2.1354080072	 2.0305765343	 0.9610703234	-0.212228
+C	-0.9937476221	 2.019803318	 0.2772988169	 0.28378
+C	 0.3028596883	 1.3559978544	 0.6429356974	-0.388573
+C	 0.4647072559	 0.0008415776	-0.0377255758	 0.166365
+O	 1.3858504194	-0.3040510394	-0.7472629882	-0.232554
+H	-1.5087422049	 1.1445616522	-2.3469990908	 0.117106
+H	-1.1423671064	 2.6803882741	-3.154461599	 0.12762
+H	 0.1587211053	 1.7634062937	-2.3712664474	 0.131486
+H	-0.51785508	 3.7051622143	-0.9784757496	 0.080893
+H	-3.4983390869	 3.7099481747	 0.806345638	 0.105445
+H	-4.0751569109	 2.247966662	-0.0081812435	 0.108265
+H	-2.3163531429	 1.5653702924	 1.9228027388	 0.102739
+H	 1.1670880344	 1.9728948171	 0.3777030041	 0.128405
+H	 0.3261806812	 1.1714127411	 1.7249006017	 0.129659
+H	-0.3639784666	-0.7108467948	 0.1794067872	 0.08303
+19
+0 4537	2.796694	1.0350792	0.833248	3.1647	79.09	-0.23721	-0.02154	0.21567	1392.2677	0.156001	-422.581502	-422.572186	-422.571242	-422.617098	33.126
+O	-0.1142110936	 3.9005249419	-1.1547084806	-0.428293
+C	-1.1692048353	 2.9682653494	-0.9497323211	 0.053632
+C	-2.5502880751	 3.6112645472	-0.6664721614	-0.240727
+C	-3.22573406	 2.7106742182	 0.3961615336	-0.255071
+C	-2.0689071888	 1.9294507701	 0.9690051831	-0.162872
+C	-0.9532520366	 2.0530653301	 0.2467611969	 0.248271
+C	 0.3736591532	 1.3831577596	 0.4814821807	-0.384553
+C	 0.4890640387	 0.0826415252	-0.2981309524	 0.167161
+O	 0.8158835594	-0.9714028129	 0.1807570714	-0.237276
+H	-0.0670963227	 4.4603580247	-0.370900238	 0.275746
+H	-1.1843666	 2.3886428204	-1.8824776928	 0.095445
+H	-2.3764588075	 4.611455382	-0.2526111948	 0.099414
+H	-3.1486327396	 3.7400985748	-1.5709026906	 0.10837
+H	-3.7715608603	 3.2818159518	 1.1555852679	 0.108002
+H	-3.9600633257	 2.0324127342	-0.0593111581	 0.11586
+H	-2.1655211602	 1.3114925998	 1.8562171672	 0.101044
+H	 1.1704861816	 2.050866278	 0.1244334916	 0.133541
+H	 0.5466347616	 1.1597410112	 1.5370049316	 0.123932
+H	 0.2389095608	 0.1681611443	-1.3801544043	 0.078373
+19
+0 4538	2.6303667	1.7181623	1.2921027	1.665	76.96	-0.23953	0.00957	0.2491	1026.8038	0.157759	-422.526971	-422.518986	-422.518042	-422.559129	30.728
+C	-0.0215963558	 1.5944640238	-0.0434933068	-0.408667
+C	-0.0029029858	 0.0716765773	 0.028898497	 0.072585
+O	-1.3044366414	-0.5384909585	 0.0614619157	-0.277905
+C	-2.1520773982	-0.2277726395	 1.1611874476	-0.097968
+C	-1.4335482136	-0.0639407502	 2.4787706969	-0.245796
+C	-0.1263679958	-0.2588573284	 2.4851151648	 0.240026
+C	 1.1295004169	 0.1890678716	 3.1864632351	-0.158138
+O	 1.8045688307	 0.2273002668	 1.8925924307	-0.307226
+C	 0.7081714791	-0.4986649414	 1.2641327728	 0.082169
+H	 0.9995304044	 1.9685610532	-0.1568188968	 0.133288
+H	-0.6132619205	 1.9181475407	-0.9043923542	 0.119262
+H	-0.4418632446	 2.0450815455	 0.8595366761	 0.119967
+H	 0.4364432632	-0.3231543208	-0.8924061428	 0.086561
+H	-2.713413306	 0.7020413388	 0.96410639	 0.10467
+H	-2.8909766619	-1.037917639	 1.1921223755	 0.122592
+H	-1.9950274703	 0.3251902656	 3.3233928277	 0.098012
+H	 1.1103697861	 1.1672376068	 3.6803571769	 0.119153
+H	 1.59779658	-0.5463647994	 3.8552986355	 0.110253
+H	 0.9992018334	-1.541093453	 1.0799663383	 0.087163
+19
+0 4539	2.6255921	1.7306981	1.2909271	1.7171	76.98	-0.24073	0.01378	0.25451	1024.6528	0.158775	-422.545526	-422.537748	-422.536804	-422.577433	30.506
+O	 0.0291433654	 1.5209294537	-0.145613006	-0.446684
+C	 0.0565796298	 0.111262899	-0.0410407325	 0.093051
+C	 0.7310454567	-0.4913055265	-1.2878034845	-0.23528
+C	 0.0162936063	-0.1443446405	-2.6178407039	-0.232374
+C	-1.484594101	-0.0166267916	-2.4983816028	-0.183147
+C	-2.0662411013	-0.2251070035	-1.3290694454	 0.228471
+C	-3.2531550594	 0.2519188079	-0.5302092903	-0.161298
+O	-2.3882501837	 0.3202077549	 0.6515552865	-0.322855
+C	-1.3583604739	-0.4623726244	-0.0280840579	 0.059325
+H	-0.7616780483	 1.8055916181	 0.3320284018	 0.287243
+H	 0.6120431766	-0.1945952131	 0.8595327411	 0.063664
+H	 1.7690677869	-0.149013838	-1.3345677433	 0.111374
+H	 0.7661396582	-1.5793883796	-1.1513501244	 0.102693
+H	 0.3860149443	 0.8221649833	-2.9842058439	 0.126839
+H	 0.2971282059	-0.8767358268	-3.3853619056	 0.105787
+H	-2.0327105257	 0.3678351502	-3.3551448629	 0.090358
+H	-3.6819272387	 1.2256730416	-0.7902297958	 0.121145
+H	-4.0614211896	-0.4747253062	-0.3729209352	 0.110895
+H	-1.3591203484	-1.4958801585	 0.345340745	 0.080794
+19
+0 4540	2.3749014	1.550442	1.046528	3.397	78.55	-0.24138	-0.05081	0.19057000000000002	1166.2873	0.157162	-422.575529	-422.566987	-422.566043	-422.608672	32.235
+C	-2.4451518326	-2.6654941895	-1.4602430453	-0.396806
+C	-1.4110752272	-1.5376978222	-1.4715719108	 0.127932
+C	-0.8591754137	-1.2554550694	-0.0610332814	-0.34362
+C	 0.0101483883	-0.0067654144	 0.0396870309	 0.37201
+O	 1.2049738818	-0.0771509971	 0.2457006265	-0.324768
+C	-0.6780233891	 1.3074736701	-0.0275205415	-0.140892
+C	-1.8751367959	 1.5269338935	-0.5806923089	-0.046024
+C	-2.699582116	 0.5192069189	-1.3470346506	-0.154284
+O	-1.9256221735	-0.3765854895	-2.1193591166	-0.252071
+H	-3.3118186131	-2.4043159332	-0.8433389072	 0.114971
+H	-2.7941769657	-2.8624134047	-2.4772087175	 0.127343
+H	-2.0118825961	-3.5856370797	-1.0555471134	 0.120722
+H	-0.5700923766	-1.834045312	-2.1087967261	 0.103024
+H	-1.6966261678	-1.1530650998	 0.6414356299	 0.111528
+H	-0.2542653235	-2.1068390491	 0.2601891982	 0.125881
+H	-0.113389148	 2.1271367618	 0.4076164035	 0.111395
+H	-2.292681258	 2.5311212906	-0.54109528	 0.108578
+H	-3.3906329726	-0.0088389907	-0.6689801331	 0.111306
+H	-3.3304917307	 1.0574271865	-2.0625530367	 0.123772
+19
+0 4541	2.0809024	1.7001047	1.0064094	4.9962	79.14	-0.25708	-0.03667	0.22040999999999997	1193.9827	0.157728	-422.600194	-422.591695	-422.590751	-422.63337	31.941
+C	-1.755398986	 2.9692548994	-1.2943536774	-0.397321
+C	-1.4383412171	 1.4806005352	-1.2382721377	 0.132095
+C	-2.6769988762	 0.5963945358	-1.4187290504	-0.220688
+C	-2.3455234054	-0.7825914258	-1.9891521837	-0.273894
+C	-1.1940989851	-1.5039046276	-1.3595650718	-0.046483
+C	-0.3504341343	-1.1195522809	-0.3956938134	-0.174289
+C	-0.2890352299	 0.1045273823	 0.4485849892	 0.384413
+O	 0.2768200077	 0.0702646067	 1.514042747	-0.337055
+O	-0.8440793164	 1.2749072406	 0.0571581743	-0.240043
+H	-2.5178880146	 3.2263618056	-0.5526808231	 0.131393
+H	-0.8595189476	 3.5575826757	-1.0824680027	 0.133832
+H	-2.1279941365	 3.2405150658	-2.2863895344	 0.116363
+H	-0.6911235269	 1.236265054	-2.0057062179	 0.090595
+H	-3.1688791448	 0.5099616152	-0.4433640993	 0.123098
+H	-3.3877621193	 1.0932573384	-2.087348184	 0.105899
+H	-3.2301986007	-1.4323933736	-1.9428207087	 0.122297
+H	-2.1248318709	-0.6929183366	-3.0639922243	 0.121977
+H	-1.0300821817	-2.5021599164	-1.7642702343	 0.107657
+H	 0.4016907956	-1.8282264336	-0.0632993474	 0.120155
+19
+0 4542	2.0998832	1.5235949	0.9238222	3.7357	79.15	-0.23927	-0.05224	0.18703	1243.9672	0.157789	-422.586046	-422.577364	-422.57642	-422.619841	32.472
+O	-1.8701676033	 2.8850178833	-1.4390706279	-0.423344
+C	-1.5439732704	 1.5126050073	-1.2346934447	 0.111087
+C	-2.785310536	 0.6310800314	-1.4042600483	-0.229
+C	-2.5055309939	-0.832372847	-1.7532975672	-0.265582
+C	-1.632991026	-1.6444630288	-0.8404712191	-0.040416
+C	-0.7019226698	-1.292935716	 0.057028598	-0.139834
+C	-0.1786660984	 0.0299322976	 0.4743349478	 0.350196
+O	 0.8261753297	 0.0554574071	 1.1622097098	-0.322997
+C	-0.8627725118	 1.3478494021	 0.1282590694	-0.326068
+H	-2.466973843	 3.1548677834	-0.7316670945	 0.277537
+H	-0.827172726	 1.2857390057	-2.0340831219	 0.095101
+H	-3.3926113995	 0.6838792589	-0.4896822555	 0.093144
+H	-3.3858861496	 1.0663799112	-2.2094553008	 0.112238
+H	-3.4632519176	-1.3583984592	-1.8534757216	 0.116783
+H	-2.0573709648	-0.8840414565	-2.758456466	 0.1297
+H	-1.7609556032	-2.7177396078	-0.9811636245	 0.107846
+H	-0.1581412794	-2.0892729251	 0.5592214004	 0.107261
+H	-1.6189105657	 1.5160243907	 0.9119567279	 0.112056
+H	-0.1066445512	 2.1269059416	 0.2496041486	 0.134292
+19
+0 4543	2.499101	1.7444328	1.1454866	2.4284	78.09	-0.24265	0.00404	0.24669	1088.3233	0.156804	-422.542004	-422.533741	-422.532796	-422.574639	31.772
+C	 0.1756956893	 0.5854966126	 0.0965317834	-0.407834
+C	 1.3099164932	-0.4269220536	 0.063056858	 0.020994
+O	 1.4282724363	-0.862178801	-1.2888655401	-0.256002
+C	 2.3506279195	-1.91597489	-1.4621791579	-0.131045
+C	 3.6831760685	-1.6277651617	-0.8304111712	-0.099383
+C	 3.8226501234	-0.6612284423	 0.0742739417	-0.100638
+C	 2.6533507059	 0.1121055704	 0.5565976216	 0.399203
+C	 2.7505765433	 0.84879578	 1.8283111558	-0.243724
+O	 2.8345472765	 1.545501586	 0.5886119187	-0.271439
+H	-0.0401357576	 0.9094712777	 1.1177444124	 0.114931
+H	 0.4370474145	 1.4626629063	-0.497942289	 0.145024
+H	-0.7256668671	 0.1273238677	-0.3170726191	 0.122344
+H	 1.0565875642	-1.2970886948	 0.6957859049	 0.069338
+H	 1.9401780455	-2.8657064533	-1.0679777819	 0.096948
+H	 2.4629827112	-2.0466624151	-2.5445062318	 0.120864
+H	 4.5289825922	-2.2309294334	-1.1486490692	 0.100027
+H	 4.7901449877	-0.4100884178	 0.4991869119	 0.095783
+H	 1.8543870715	 1.0387894604	 2.4176765669	 0.113263
+H	 3.674781182	 0.7981837019	 2.404328435	 0.111347
+19
+0 4544	2.5223581	1.5817479	1.2626006	2.0074	77.39	-0.24835	0.00048	0.24883	1065.0637	0.157629	-422.555953	-422.547663	-422.546719	-422.588637	32.017
+O	 0.0394982124	-0.0529792176	 0.2892445185	-0.439778
+C	-0.6337865931	 0.8749151588	 1.1390383485	 0.031028
+C	-1.285567038	 2.013090151	 0.3456679153	-0.233036
+C	-2.4119753359	 1.4872544937	-0.5571358759	-0.279805
+C	-3.3071399178	 0.5125433903	 0.1630301584	-0.071446
+C	-2.9836112999	-0.0673336718	 1.3222153167	-0.120609
+C	-1.6810580364	 0.1685995457	 1.9912791097	 0.397944
+C	-1.2279393128	-0.6993059717	 3.0878756009	-0.245262
+O	-1.7604905741	 0.5929796171	 3.3726580252	-0.286272
+H	-0.6295061059	-0.5595522491	-0.1839836579	 0.285035
+H	 0.1367328688	 1.2725780911	 1.8055199277	 0.093865
+H	-1.6973237083	 2.7345301927	 1.0616459308	 0.114847
+H	-0.5249841647	 2.5288580424	-0.2473696465	 0.102787
+H	-3.011429858	 2.322442753	-0.9376562565	 0.113887
+H	-1.9898970845	 1.0093202422	-1.4536184943	 0.11381
+H	-4.2648416763	 0.2846863242	-0.2989548079	 0.095619
+H	-3.6775061122	-0.7377490347	 1.8219208275	 0.093679
+H	-1.8462333597	-1.5397366503	 3.4024991697	 0.111374
+H	-0.1586348736	-0.8197563571	 3.25693526	 0.122332
+19
+0 4545	2.5032919	1.3352032	1.1333092	3.0898	77.96	-0.23828	-0.02848	0.2098	1160.9492	0.156436	-422.571797	-422.562997	-422.562053	-422.605485	32.399
+C	 1.0028588094	 1.1237844843	 0.2709085548	-0.41753
+C	 0.9721214192	-0.383883965	 0.0086066567	 0.090755
+O	 1.4576579373	-1.1494447511	 1.110944772	-0.268742
+C	 2.8255942146	-0.9539768296	 1.4191729378	-0.124023
+C	 3.7115228578	-0.9065768976	 0.209713655	-0.057244
+C	 3.2173600835	-0.8153031025	-1.0231379518	-0.103441
+C	 1.7283534965	-0.7778098293	-1.2810675187	-0.112304
+C	 1.2894096687	-2.1601252199	-1.7529274895	 0.146284
+O	 1.0336222502	-2.4452033235	-2.8937746876	-0.253847
+H	 0.533265555	 1.3415829873	 1.2343128615	 0.127346
+H	 2.0240996986	 1.5152350642	 0.2812311729	 0.127959
+H	 0.4487161184	 1.6534796322	-0.5098881553	 0.123333
+H	-0.0747238067	-0.6969963257	-0.0784706568	 0.093799
+H	 2.9684113624	-0.036238239	 2.0171784945	 0.106093
+H	 3.1065728635	-1.7915402681	 2.0686706148	 0.124376
+H	 4.783439271	-0.9177142892	 0.3879528291	 0.101017
+H	 3.8702127208	-0.7915346427	-1.8903126909	 0.108039
+H	 1.5007258438	-0.0759864727	-2.0901881986	 0.095274
+H	 1.2408763161	-2.9112490524	-0.93406658	 0.092857
+19
+0 4546	2.2558022	1.4587628	1.2500368	2.062	77.05	-0.23796	-0.02674	0.21122000000000002	1107.2174	0.156919	-422.585527	-422.576763	-422.575819	-422.619083	32.577
+O	-0.6793590309	-1.8988357801	-2.3681268814	-0.446136
+C	 0.3684415129	-1.0258704064	-1.9528705601	 0.112874
+C	 0.4059695954	 0.1251558939	-2.9567559242	-0.221096
+C	-0.9071880329	 0.9194512971	-2.9471388174	-0.24446
+C	-1.3694549942	 1.2309875769	-1.5510908893	-0.03399
+C	-0.9193793668	 0.6002277457	-0.4674888572	-0.079238
+C	 0.120059426	-0.5001089933	-0.5248350767	-0.156873
+C	 1.3879481453	-0.0059355018	 0.1594273609	 0.152756
+O	 2.479835239	 0.0363988315	-0.347747171	-0.245944
+H	-0.6731164352	-2.673451202	-1.7976250597	 0.279632
+H	 1.3343638235	-1.5468698853	-1.9677326683	 0.081272
+H	 1.2456556697	 0.7751210492	-2.6910807315	 0.120515
+H	 0.6017346519	-0.2776804079	-3.9547111555	 0.102816
+H	-0.7901810629	 1.8485850543	-3.5174160845	 0.101924
+H	-1.6915254052	 0.3471251403	-3.4602247209	 0.129282
+H	-2.1338759548	 1.9964724721	-1.4390008962	 0.089993
+H	-1.2940098147	 0.8671804675	 0.5177254309	 0.08971
+H	-0.2359176208	-1.3355932488	 0.1031438452	 0.084858
+H	 1.2309287448	 0.3417644269	 1.2065196367	 0.082104
+19
+0 4547	2.1672768	1.9643967	1.3657931	1.5395	75.26	-0.2482	-0.01044	0.23776	1006.8406	0.157576	-422.524602	-422.516462	-422.515518	-422.557007	31.331
+C	-0.5495910798	-0.6289795563	-1.4415147157	-0.385231
+C	 0.6262624415	-1.5956787015	-1.5921242289	 0.115272
+O	 0.7359899743	-2.4219701166	-0.4230596874	-0.27872
+C	 1.7752262576	-2.1723176677	 0.5118217226	-0.115729
+C	 1.8728451958	-0.7429879577	 1.0102161401	-0.074037
+C	 2.3193768529	 0.24221617	 0.233602796	-0.083993
+C	 2.7219856605	-0.0136141743	-1.1748575662	 0.016404
+O	 1.8887597674	 0.5105573889	-2.2157264367	-0.242651
+C	 1.9270196756	-0.9102359567	-2.0370697538	-0.009559
+H	-0.3613383012	 0.1203960673	-0.6717107826	 0.126399
+H	-0.7437038289	-0.1095151634	-2.3840992699	 0.119575
+H	-1.4373842756	-1.2034348258	-1.1635512834	 0.114702
+H	 0.3704790312	-2.3078828004	-2.3869520142	 0.08681
+H	 1.5600425487	-2.8478108459	 1.3441020358	 0.111478
+H	 2.7473790389	-2.4760120339	 0.0953380638	 0.099576
+H	 1.5663745857	-0.5389254902	 2.0327648226	 0.101986
+H	 2.4069688453	 1.2621841891	 0.6002573805	 0.103508
+H	 3.7871212348	 0.0928907577	-1.3940503761	 0.098735
+H	 2.4653608353	-1.4275976324	-2.8314120666	 0.095475
+19
+0 4548	2.1898129	1.8182827	1.1174046	1.4194	75.3	-0.25093	0.00036	0.25129	1095.57	0.15814	-422.545517	-422.537432	-422.536487	-422.577762	31.624
+O	-0.5968115665	-0.1316313846	-2.4777504169	-0.439927
+C	 0.6903934967	-0.279749935	-1.8895004073	 0.106143
+C	 1.2350055664	-1.6393054116	-2.346510564	-0.198581
+C	 2.4572301266	-2.1397024499	-1.5359417499	-0.270805
+C	 3.454315304	-1.0636521077	-1.1498042161	-0.046737
+C	 3.1885734641	-0.0985980083	-0.2675431552	-0.097945
+C	 1.8636815435	 0.0000312582	 0.4089439443	 0.016701
+O	 1.040794094	 1.1470392302	 0.1335871158	-0.267366
+C	 0.6283965597	-0.1307654411	-0.3771088993	-0.003856
+H	-0.8845695281	 0.775125833	-2.3284635875	 0.287429
+H	 1.3659715466	 0.508397227	-2.2449339569	 0.086641
+H	 0.4302622946	-2.3789381766	-2.2746407227	 0.111926
+H	 1.4844919666	-1.5559749952	-3.4092367842	 0.110129
+H	 2.0932647249	-2.62219377	-0.621857364	 0.117221
+H	 2.9610576002	-2.9237573315	-2.1083271829	 0.103856
+H	 4.4352777908	-1.096883553	-1.6179804617	 0.095694
+H	 3.9394431605	 0.6416485727	-0.0025654597	 0.098232
+H	 1.8390123395	-0.2926191958	 1.460929116	 0.097746
+H	-0.2651214141	-0.5437951808	 0.0928416923	 0.0935
+19
+0 4549	2.325511	1.6749555	1.1052693	2.2141	77.55	-0.23064	-0.01542	0.21522000000000002	1127.0992	0.156829	-422.57723	-422.568597	-422.567653	-422.610727	32.341
+C	-0.6687181681	-2.0463791552	 1.2303043302	-0.398793
+C	-0.7988945123	-1.2184050718	-0.0474792967	 0.024731
+O	-2.1762739931	-1.081698359	-0.3438509555	-0.246038
+C	-2.4703819554	-0.7798519137	-1.6923836773	-0.136759
+C	-2.0921938093	 0.6057081873	-2.1355258192	-0.03752
+C	-1.4757327371	 1.5370629728	-1.4093111854	-0.088523
+C	-0.9790363794	 1.378871082	 0.0149296975	-0.344294
+C	-0.095653982	 0.1406946113	 0.1389084747	 0.368137
+O	 1.0878961365	 0.1930926004	 0.3680932153	-0.310652
+H	-1.089576778	-3.0425302951	 1.0751469663	 0.12406
+H	 0.3838900049	-2.1320542681	 1.5065490348	 0.143043
+H	-1.2121937937	-1.567647312	 2.0506800215	 0.127081
+H	-0.2809626085	-1.7371026561	-0.8707632193	 0.09636
+H	-1.9983383479	-1.5225059797	-2.3621643885	 0.101745
+H	-3.5543524432	-0.916149343	-1.7980621405	 0.122807
+H	-2.3755025524	 0.8395500169	-3.1603846775	 0.09372
+H	-1.2641398406	 2.4956486062	-1.8741374896	 0.103216
+H	-0.3824526053	 2.2421612869	 0.3140534829	 0.120263
+H	-1.8237033852	 1.2786817101	 0.7062059564	 0.137414
+19
+0 4550	2.3880056	1.5879934	1.0546406	2.9802	76.74	-0.24482	-0.02687	0.21795	1143.6335	0.157908	-422.590547	-422.58215	-422.581206	-422.623549	32.09
+O	 0.1351013617	-2.4746265803	 0.1202727436	-0.437486
+C	-0.7888741455	-1.4208406528	 0.0966446242	 0.039699
+C	-1.8082440137	-1.600919167	 1.2422475825	-0.199027
+C	-2.9434933376	-0.5607756683	 1.2882870064	-0.273043
+C	-2.5091527666	 0.7913457536	 1.8048564847	-0.038671
+C	-1.5838075793	 1.5602122101	 1.2330251295	-0.068526
+C	-0.8426190919	 1.1997953629	-0.0411531716	-0.346953
+C	-0.0450950489	-0.0829581741	 0.1296426287	 0.374141
+O	 1.1603833766	-0.0824575741	 0.267350073	-0.327838
+H	 1.0010601272	-2.0477978088	 0.2284340422	 0.291293
+H	-1.3493084341	-1.4372233432	-0.8562258662	 0.085156
+H	-2.2295076952	-2.6033739849	 1.1125604392	 0.115077
+H	-1.2629249248	-1.6061232182	 2.19210714	 0.111514
+H	-3.3792041171	-0.4587389649	 0.2825284455	 0.109394
+H	-3.7458065378	-0.9476768429	 1.9227059307	 0.109603
+H	-2.9791042338	 1.1419803986	 2.720070887	 0.096696
+H	-1.310096942	 2.5049418363	 1.6923492205	 0.103938
+H	-1.5537887962	 1.0679578245	-0.8675974602	 0.125378
+H	-0.1415759712	 1.9890193635	-0.3173887398	 0.129654
+19
+0 4551	2.1821408	1.6504572	1.0241666	4.5212	75.93	-0.23057	-0.06429	0.16627999999999998	1180.0489	0.156663	-422.604746	-422.595851	-422.594907	-422.638598	32.687
+C	 0.0017319027	 2.5532451555	-0.0143860376	-0.403564
+C	-0.8668526071	 1.2966117715	-0.004362864	-0.093417
+C	-1.8584141084	 1.219133987	-1.1882669957	-0.203098
+C	-2.7399741158	-0.0331959287	-1.1267249249	-0.224944
+C	-1.8955635567	-1.3211929563	-1.1400025562	-0.305359
+C	-0.8279953118	-1.3052598101	-0.06038845	 0.31818
+O	-0.5827112056	-2.2314374888	 0.6707885868	-0.281497
+C	-0.0304550084	 0.0223167315	 0.0543299541	 0.302591
+O	 1.1689250517	 0.0018751423	 0.1789472349	-0.289144
+H	 0.6911139244	 2.5592614352	 0.8326009014	 0.137028
+H	 0.6049914864	 2.6004432711	-0.9261610187	 0.127639
+H	-0.6213512832	 3.4511367243	 0.0334784543	 0.112207
+H	-1.4738308721	 1.2812065663	 0.9170977104	 0.10572
+H	-2.4807286026	 2.1203580015	-1.1879676855	 0.10908
+H	-1.2942997201	 1.2308787848	-2.130922888	 0.107603
+H	-3.3505703484	-0.0074687078	-0.2151429708	 0.112154
+H	-3.4383853508	-0.046981711	-1.9694386508	 0.111056
+H	-2.498028759	-2.2262771285	-1.026986888	 0.127124
+H	-1.3702769553	-1.3908316497	-2.1047916117	 0.130642
+19
+0 4552	2.9444485	1.251596	0.9800959	5.1216	79.44	-0.25893	-0.03907	0.21986	1235.6159	0.158082	-422.596225	-422.587755	-422.586811	-422.629511	31.772
+C	-3.3781905476	 1.5206765277	 2.5245575986	-0.40062
+C	-2.0484846932	 0.7725491868	 2.3096834457	-0.037215
+C	-2.2866342251	-0.6935050329	 1.9325806354	-0.223204
+C	-1.0202384276	-1.4222060697	 1.4931896386	-0.090565
+O	-0.7771971019	-1.3148887474	 0.0882063546	-0.225845
+C	-0.5062119305	-0.131346462	-0.510591797	 0.390153
+O	-0.2250393096	-0.1358410829	-1.6835028822	-0.336056
+C	-0.5339598802	 1.1523574913	 0.2429649354	-0.195812
+C	-1.1679401366	 1.5320400842	 1.3580526942	-0.04031
+H	-3.9883390364	 1.0109520958	 3.27671678	 0.120407
+H	-3.2080167465	 2.5462123579	 2.8662159375	 0.120161
+H	-3.9531247299	 1.5659911117	 1.5939570914	 0.130106
+H	-1.5176911945	 0.7849435084	 3.2760195747	 0.095841
+H	-2.7224749401	-1.2101051396	 2.7953610046	 0.106549
+H	-3.0198394489	-0.7705347088	 1.120555784	 0.121226
+H	-0.1444458888	-1.0715219725	 2.054215909	 0.113624
+H	-1.115155101	-2.4978323915	 1.6567749322	 0.124722
+H	 0.0207919486	 1.9062088748	-0.3071639065	 0.121832
+H	-1.0415037001	 2.5784871989	 1.6370537497	 0.105006
+19
+0 4553	3.0486894	1.2539149	0.9740466	3.8355	79.32	-0.23591	-0.05289	0.18302000000000002	1232.0542	0.15721	-422.571329	-422.56273	-422.561786	-422.604578	32.266
+C	-4.0753299942	 1.3745986292	 1.5777251329	-0.42121
+C	-2.8555014673	 0.6743021821	 0.9652530183	-0.078267
+C	-2.4792941014	-0.5602641412	 1.8222544952	-0.058661
+O	-1.2129828839	-1.119999248	 1.5564065943	-0.234608
+C	-0.8630485881	-1.2553075728	 0.1956877735	-0.207242
+C	-0.1411537964	-0.0126778813	-0.3452149061	 0.356047
+O	 0.745250857	-0.1290685956	-1.1668111862	-0.322909
+C	-0.5227433109	 1.3142209563	 0.1952541992	-0.156084
+C	-1.6959771448	 1.6199764995	 0.7636627667	-0.024023
+H	-3.8317840214	 1.797871338	 2.558540235	 0.12534
+H	-4.4239126875	 2.189190878	 0.93620175	 0.125558
+H	-4.9061429706	 0.6747413536	 1.7109563938	 0.121661
+H	-3.1519919873	 0.302125746	-0.0246434038	 0.104055
+H	-2.4547013878	-0.2805337176	 2.8808842518	 0.113267
+H	-3.2715551272	-1.3159910097	 1.6921958738	 0.093895
+H	-0.1633539963	-2.0911246588	 0.1133306447	 0.13659
+H	-1.7317676331	-1.4905682819	-0.4398496732	 0.111498
+H	 0.2220221982	 2.0869656685	 0.0268735078	 0.110516
+H	-1.8589384071	 2.6502877656	 1.0753560221	 0.104577
+19
+0 4554	3.0263343	1.3002702	0.9994855	3.4857	79.33	-0.24102	-0.05102	0.19	1208.2172	0.157126	-422.575699	-422.567117	-422.566173	-422.608956	32.228
+C	-3.5870400637	 1.4248152076	-2.3260214254	-0.403814
+C	-2.7372364068	 0.6548412011	-1.3154059413	 0.062336
+O	-1.9695112327	-0.2852486869	-2.0560639814	-0.247265
+C	-1.5983719237	-1.4703704306	-1.3831978988	-0.074777
+C	-1.0115061218	-1.2529247686	 0.023224934	-0.346204
+C	-0.0646487598	-0.0625770364	 0.1250625324	 0.383807
+O	 1.1209948261	-0.2016726249	 0.3468631432	-0.323862
+C	-0.6725658878	 1.2913079991	 0.0421949014	-0.168699
+C	-1.8452706755	 1.5941364285	-0.5247773038	-0.027817
+H	-4.2139990073	 2.1658539498	-1.8213865616	 0.117177
+H	-2.9422654291	 1.9417474219	-3.0427983206	 0.136153
+H	-4.2300886694	 0.7341638854	-2.87581547	 0.126663
+H	-3.4155389869	 0.1236111504	-0.6250308259	 0.086314
+H	-2.4560718966	-2.1581295749	-1.3058893453	 0.094121
+H	-0.8498382798	-1.9397370216	-2.0282885975	 0.125411
+H	-1.8277946714	-1.0927812275	 0.7380810307	 0.118709
+H	-0.4670705312	-2.14971473	 0.3296023792	 0.124731
+H	-0.0636946339	 2.0740737549	 0.486213649	 0.111437
+H	-2.1827205587	 2.6282374728	-0.4882336182	 0.105579
+19
+0 4555	2.6331252	1.38943	1.0947242	1.6771	77.63	-0.24559	-0.05775	0.18784	1143.6592	0.157944	-422.582833	-422.574078	-422.573134	-422.616397	32.585
+O	-3.8739446416	-0.0096482182	-0.3895851498	-0.433844
+C	-3.0677136882	 0.5754516113	 0.6384894107	 0.086553
+C	-2.5323286595	-0.4581820686	 1.6418742408	-0.230238
+C	-1.7695126636	-1.6526756649	 1.051140684	-0.209059
+C	-0.7107922377	-1.3202814793	-0.0274917881	-0.309275
+C	 0.0327873672	-0.0046716246	 0.161521954	 0.36084
+O	 1.2157973107	 0.0303850001	 0.4318367363	-0.318116
+C	-0.7098382142	 1.2606270447	-0.1131525984	-0.145299
+C	-2.0159285386	 1.4964175608	 0.0546650643	-0.086203
+H	-3.2844182965	-0.3755573663	-1.0567073958	 0.284765
+H	-3.7694758453	 1.2167563037	 1.1851577584	 0.096905
+H	-1.8976064501	 0.0757815684	 2.3593990925	 0.111485
+H	-3.3843782229	-0.846849651	 2.2100182153	 0.108397
+H	-1.2768263109	-2.1774698994	 1.8755688145	 0.117659
+H	-2.4841881206	-2.3599384167	 0.6190513494	 0.114044
+H	 0.0389369194	-2.113647297	-0.0734188426	 0.124947
+H	-1.192853702	-1.2723044231	-1.0127039273	 0.100884
+H	-0.0643598256	 2.060578248	-0.467973389	 0.115318
+H	-2.3909154299	 2.4781633723	-0.2281190993	 0.110237
+19
+0 4556	3.1867016	1.1340164	0.8840662	1.8335	78.33	-0.25798	0.03367	0.29164999999999996	1315.3029	0.156246	-422.529499	-422.520698	-422.519754	-422.562737	33.353
+C	 0.1928237174	-0.4082546133	-0.6111532042	-0.404455
+C	 1.1562634543	 0.1856411648	 0.4023949565	 0.120696
+C	 2.4896032434	-0.5683520467	 0.4911273348	-0.205745
+C	 3.4623876262	 0.2184595082	 1.3916446982	-0.086809
+O	 3.5559521656	 1.567493099	 0.9309758323	-0.246181
+C	 2.2883440004	 2.1735873147	 0.8985092289	 0.020494
+O	 1.4002859274	 1.5406348104	 0.0214683284	-0.24672
+C	 4.7967549272	-0.3674302433	 1.4195327184	 0.303608
+C	 5.8772597308	-0.8909854029	 1.4413365866	-0.410079
+H	-0.0554986914	-1.4401027871	-0.345195428	 0.116596
+H	-0.7304373341	 0.1762476772	-0.6449750861	 0.127002
+H	 0.6399734273	-0.4029747859	-1.6096613161	 0.129352
+H	 0.6856256935	 0.1848212156	 1.4026213637	 0.064983
+H	 2.3398696509	-1.5754979358	 0.8931406263	 0.108608
+H	 2.9296345126	-0.6564842997	-0.5071023154	 0.120714
+H	 3.0575153285	 0.2260418229	 2.4202022268	 0.093963
+H	 1.8595943671	 2.1915124352	 1.9200837245	 0.074388
+H	 2.436246314	 3.1912776021	 0.5329321899	 0.121353
+H	 6.838638099	-1.3418316254	 1.4629376245	 0.198234
+19
+0 4557	2.8467504	1.2490023	0.9165221	1.9812	78.48	-0.26338	0.03726	0.30064	1284.6485	0.155985	-422.526427	-422.517612	-422.516668	-422.55964	33.44
+C	 0.1580240718	-0.4843083854	 0.5294202405	-0.405447
+C	 1.1818251975	 0.1010025603	-0.4277297095	 0.146096
+C	 2.5381292576	-0.613741869	-0.4025425442	-0.205663
+C	 3.5423594627	 0.1800272328	-1.2400222808	-0.089332
+O	 3.5759448743	 1.5407001373	-0.8228519535	-0.245708
+C	 2.2944582973	 2.1203452517	-0.8987245087	 0.02537
+O	 1.3646328963	 1.4736450041	-0.0623561543	-0.263409
+C	 2.3884454272	 3.5235198814	-0.5025818499	 0.293948
+C	 2.4524624383	 4.6864024707	-0.2159185439	-0.390494
+H	 0.5318182683	-0.4459291426	 1.5569266672	 0.129529
+H	-0.7755191285	 0.0825406661	 0.4824511007	 0.128152
+H	-0.0520143623	-1.5271436842	 0.2729752906	 0.115203
+H	 0.7851513414	 0.0673305607	-1.4586520582	 0.065936
+H	 2.8917839009	-0.6727293262	 0.6326811155	 0.114215
+H	 2.440935451	-1.6340084052	-0.7904959914	 0.098449
+H	 4.5607319834	-0.199381424	-1.127982804	 0.115742
+H	 3.2728184361	 0.1250433371	-2.3087624084	 0.090785
+H	 1.937096016	 2.0501600077	-1.9467201174	 0.078439
+H	 2.5139035005	 5.7128994267	 0.0499772498	 0.19819
+19
+0 4558	2.8201849	1.2316024	0.907652	0.4425	78.71	-0.23769	0.03197	0.26966	1289.8984	0.156017	-422.521147	-422.512237	-422.511293	-422.554505	33.59
+C	 0.1426545281	 0.5855734101	 0.0360535909	-0.410721
+C	 1.3543270706	-0.3308997066	 0.050178449	 0.134971
+C	 2.6753543621	 0.4244178845	 0.19446192	-0.083603
+O	 3.779873722	-0.4621658794	 0.1030048256	-0.252479
+C	 3.7732718071	-1.1691999698	-1.1205795928	-0.093855
+C	 2.4574741909	-1.9530402411	-1.2718026518	-0.070458
+O	 1.3522506476	-1.0572259556	-1.1800688104	-0.278168
+C	 2.3980041077	-2.6589717288	-2.5448824612	 0.294079
+C	 2.4030383968	-3.2429580537	-3.5943618333	-0.413757
+H	 0.0636417833	 1.134884451	 0.9791691752	 0.118108
+H	 0.2156333623	 1.3061484175	-0.7841851648	 0.128083
+H	-0.7699859724	 0.0010104679	-0.1036360868	 0.132219
+H	 1.2797861873	-1.0477371216	 0.8860649507	 0.072691
+H	 2.7388231474	 1.1981313406	-0.5889108887	 0.092146
+H	 2.7441673872	 0.9081093465	 1.1732665455	 0.109018
+H	 3.8746391277	-0.4828936195	-1.9756815955	 0.102933
+H	 4.6276798035	-1.8504517331	-1.1050393421	 0.119004
+H	 2.4034856947	-2.6812525585	-0.444011453	 0.100544
+H	 2.392415056	-3.7633117603	-4.5202136266	 0.199245
+19
+0 4559	2.9485434	1.2139104	0.9088771	1.5319	78.46	-0.25682	0.03448	0.2913	1287.9118	0.156014	-422.532063	-422.523213	-422.522269	-422.565335	33.517
+C	 0.3433011024	-0.2622631872	-0.7021612114	-0.409031
+C	 1.2330610573	 0.303257009	 0.3820694729	 0.230891
+O	 1.2945026023	-0.6243794876	 1.4391581158	-0.24587
+C	 2.1246992152	-0.1645398893	 2.4948059736	-0.097493
+C	 3.5323598077	 0.1424266823	 1.981139866	-0.209461
+C	 3.4134637685	 1.096940769	 0.7779921582	-0.067414
+O	 2.5072581601	 0.5466640912	-0.1788965434	-0.26329
+C	 4.6937750418	 1.3463014186	 0.1269354087	 0.299509
+C	 5.7667325212	 1.5535336238	-0.371000344	-0.412288
+H	-0.6545532596	-0.453531654	-0.3012932537	 0.126363
+H	 0.2712463822	 0.4440324401	-1.5319243784	 0.128089
+H	 0.7669820703	-1.2005910021	-1.0678150113	 0.137671
+H	 0.8353186485	 1.2612329814	 0.7747393218	 0.052375
+H	 1.6847011893	 0.7383730627	 2.9526234356	 0.089425
+H	 2.136730094	-0.9537221821	 3.2507950908	 0.114717
+H	 4.1451395204	 0.5961933568	 2.7663815315	 0.109228
+H	 4.0191158829	-0.7789569629	 1.6489870603	 0.124629
+H	 3.0065825558	 2.060148527	 1.1364401402	 0.094015
+H	 6.7097783796	 1.7384893434	-0.8231352135	 0.197936
+19
+0 4560	2.9331849	1.1318315	0.8626127	0.4554	78.01	-0.25468	0.03443	0.28911000000000003	1323.3538	0.156563	-422.532306	-422.523445	-422.522501	-422.56557	33.876
+O	-4.0026211213	-0.4603849468	-2.450052399	-0.434564
+C	-2.8706878746	-0.241011674	-1.6231129785	 0.117214
+C	-3.1140705348	-0.6368691974	-0.1634076669	-0.223107
+C	-1.8753041714	-0.3263112282	 0.6818762908	-0.079507
+O	-1.5015508977	 1.0391627455	 0.584925544	-0.253667
+C	-1.1683611376	 1.4095477275	-0.7492257666	-0.077831
+C	-2.3719442545	 1.207407544	-1.6944322305	-0.226442
+C	-0.7054377368	 2.7936382098	-0.7439097315	 0.298247
+C	-0.3357343177	 3.935642089	-0.7801857221	-0.404305
+H	-4.7180090304	 0.0964310977	-2.1228674501	 0.2769
+H	-2.0967522732	-0.899076249	-2.0406368205	 0.089799
+H	-3.9653272829	-0.0648080024	 0.2298525893	 0.09558
+H	-3.3678822118	-1.7000004199	-0.096749468	 0.105435
+H	-2.0602313001	-0.5124687193	 1.7429660499	 0.114177
+H	-1.0356206602	-0.9708331907	 0.3684763688	 0.090733
+H	-0.3411744842	 0.7656637407	-1.1010403991	 0.095546
+H	-3.1708364315	 1.8913542814	-1.3812862582	 0.103058
+H	-2.0926519543	 1.46556948	-2.7200455633	 0.116117
+H	-0.0021555449	 4.943615752	-0.8003526387	 0.196616
+19
+0 4561	2.9050606	1.1234861	0.8581259	1.4939	77.49	-0.24835	0.0486	0.29695	1325.3495	0.156961	-422.533749	-422.524882	-422.523938	-422.567035	33.791
+O	 0.1467326437	 4.4820136137	-0.2369975816	-0.429801
+C	-0.2622892297	 3.1561928202	-0.5315374751	 0.104341
+C	-1.7890920385	 3.0536568156	-0.6382814321	-0.099982
+O	-2.2035702961	 1.7364192708	-0.9530618713	-0.241687
+C	-1.8236445556	 0.7984781073	 0.0321061117	-0.078944
+C	-0.2862896444	 0.7256159504	 0.1780140754	-0.197404
+C	 0.2628077547	 2.1388014463	 0.4865788933	-0.233259
+C	 0.0956482216	-0.2486858948	 1.1920825863	 0.299167
+C	 0.3825917299	-1.0430056697	 2.0477478973	-0.434946
+H	-0.1537638831	 4.6945557353	 0.653877381	 0.279666
+H	 0.1643711569	 2.9366292822	-1.5172838795	 0.100285
+H	-2.2414772749	 3.3842682745	 0.3156467281	 0.073351
+H	-2.1612914255	 3.7041227758	-1.433504425	 0.117806
+H	-2.2670362409	 1.0544287181	 1.0088134135	 0.095273
+H	-2.2247091878	-0.1675355487	-0.2831771633	 0.120966
+H	 0.1130636743	 0.404279244	-0.7935779267	 0.115141
+H	-0.0709167979	 2.4320537909	 1.4925073929	 0.095764
+H	 1.3563327427	 2.1380200096	 0.4974533765	 0.118584
+H	 0.6462106706	-1.7510544413	 2.7939247285	 0.195681
+19
+0 4562	3.0459666	1.1266503	0.8645883	3.7459	81.42	-0.24945	-0.057	0.19245	1335.4595	0.156837	-422.578358	-422.569589	-422.568645	-422.611921	32.222
+C	-0.5575761756	-4.3682681117	 1.0001669924	-0.404964
+C	-0.7240512065	-3.2042218745	 0.0125910533	-0.044299
+C	-1.9993102547	-2.3938225759	 0.2956570691	-0.08937
+O	-2.0483279136	-1.2121456412	-0.479100509	-0.247304
+C	-1.0341576795	-0.2894824598	-0.1302303334	-0.167521
+C	 0.3215524688	-0.9392783449	-0.0084456082	 0.162969
+C	 1.5065775724	-0.0736725971	 0.0703294922	 0.097835
+O	 1.4675848696	 1.13693649	 0.0572207144	-0.277516
+C	 0.4545690106	-2.2720098426	 0.0327545117	-0.124619
+H	-0.4618237234	-4.0028087159	 2.028197124	 0.125192
+H	-1.4209563419	-5.0399299124	 0.9592255899	 0.123689
+H	 0.3356287429	-4.9566727901	 0.7682827637	 0.122311
+H	-0.8045514359	-3.624320944	-1.0014114127	 0.105224
+H	-2.8928023266	-2.9702073288	 0.0394694037	 0.11164
+H	-2.0468652815	-2.1548642508	 1.3721338515	 0.089499
+H	-1.0141811816	 0.4737140972	-0.9135234908	 0.137102
+H	-1.2816375858	 0.2300279555	 0.8114702784	 0.112034
+H	 2.4733829848	-0.6214542905	 0.1464170303	 0.068998
+H	 1.4509023974	-2.7092873425	 0.0991028796	 0.0991
+19
+0 4563	3.1662679	1.1093854	0.8685278	2.7531	81.75	-0.25095	-0.05569	0.19526	1330.8871	0.156687	-422.582826	-422.574091	-422.573147	-422.616375	32.245
+C	-0.4402177584	-4.3569264868	 0.9779059891	-0.397334
+C	-0.6812592697	-3.2140052804	-0.0087424717	 0.093356
+O	-1.8787242288	-2.5679645519	 0.3872211894	-0.262352
+C	-2.0818872257	-1.3103435603	-0.2412408682	-0.094468
+C	-1.0103205255	-0.3060547385	 0.1832699336	-0.305509
+C	 0.3488914731	-0.9374693889	 0.0316049903	 0.198274
+C	 1.5444435885	-0.0795491359	-0.0299751467	 0.092522
+O	 1.5226355574	 1.1289508385	 0.0317334969	-0.273329
+C	 0.483853919	-2.266216345	-0.0779456734	-0.146818
+H	-0.2681026584	-3.9610421769	 1.982387093	 0.131317
+H	-1.3174830135	-5.0078245356	 1.0053991505	 0.133332
+H	 0.4282266468	-4.9502543704	 0.6773708438	 0.11743
+H	-0.8155256246	-3.6499892407	-1.0187602124	 0.084631
+H	-2.0743022165	-1.4264413082	-1.3374258457	 0.092442
+H	-3.0810499995	-0.9817202348	 0.0559674025	 0.112859
+H	-1.0626305373	 0.6070469336	-0.4193219892	 0.126583
+H	-1.1681186932	 0.00251256	 1.2238417242	 0.126536
+H	 2.5031103501	-0.6353183329	-0.1437624114	 0.065806
+H	 1.4678613862	-2.7069949849	-0.2300657747	 0.104722
+19
+0 4564	3.0777504	1.1066341	0.893141	1.8233	80.45	-0.25357	-0.06025	0.19332000000000002	1303.4326	0.157571	-422.592958	-422.584276	-422.583332	-422.626403	32.44
+O	-0.5832063172	-4.0528430605	 1.1922166596	-0.431836
+C	-0.6386907546	-3.3118393787	-0.0315132765	 0.094965
+C	-2.0002894818	-2.6368267411	-0.2575765778	-0.223065
+C	-2.1057719032	-1.3086193972	 0.5016927709	-0.225675
+C	-1.0239478289	-0.3304879634	 0.0285121449	-0.292455
+C	 0.3305075572	-0.990038481	-0.0347389908	 0.214306
+C	 1.5304620771	-0.1280074768	-0.0511454362	 0.095393
+O	 1.5030301694	 1.0811305884	-0.0149922963	-0.271029
+C	 0.4962742529	-2.3216138717	-0.0728761013	-0.169876
+H	-0.5732940455	-3.4188597674	 1.9176948628	 0.281753
+H	-0.4811629067	-4.0720812031	-0.8054551713	 0.097177
+H	-2.1271898137	-2.4497981032	-1.3320545853	 0.100282
+H	-2.7842426856	-3.3370354928	 0.0455635097	 0.108738
+H	-3.098992063	-0.8684771362	 0.3718091072	 0.103917
+H	-1.988967889	-1.4898219637	 1.5791770582	 0.091315
+H	-1.2769824636	 0.0599614844	-0.9673383321	 0.122156
+H	-0.9601508948	 0.550314648	 0.6749608319	 0.128176
+H	 2.4949156362	-0.6822190593	-0.1002221325	 0.070641
+H	 1.5017942047	-2.7391928848	-0.0842984551	 0.105116
+19
+0 4565	2.1293446	1.5961538	1.2866561	2.3871	76.5	-0.24558	0.04459	0.29017	1108.9498	0.155368	-422.530803	-422.521354	-422.52041	-422.564892	35.14
+C	-0.0728166166	-0.0507286706	 0.0137216739	-0.473315
+C	 1.461048497	-0.0414148463	-0.0704734958	 0.041867
+C	 2.0650512135	 1.3829512363	-0.0772028392	-0.089995
+O	 3.3736115688	 1.2342424622	-0.5903252275	-0.258551
+C	 3.3720745817	 0.1789680165	-1.5501623746	-0.075465
+C	 2.0254382942	-0.5586008353	-1.4411367259	 0.054915
+O	 1.2276111998	-0.1534660682	-2.5421924972	-0.436136
+C	 2.0396114356	-0.8383589527	 1.010067919	 0.346925
+C	 2.5036380541	-1.5166240896	 1.8878889895	-0.491376
+H	-0.4049307001	 0.377724546	 0.9632463607	 0.133474
+H	-0.5024308792	 0.5382514386	-0.8002416268	 0.126362
+H	-0.4635014041	-1.0720480907	-0.0381542236	 0.121743
+H	 1.4490014212	 2.0298624624	-0.7215961531	 0.095072
+H	 2.1348062684	 1.8278924608	 0.9180885128	 0.113869
+H	 3.475505811	 0.5739608145	-2.5680477031	 0.112315
+H	 4.2196645193	-0.4786898457	-1.3339628012	 0.111977
+H	 2.1501378609	-1.6473813491	-1.4281912855	 0.082378
+H	 0.4294626203	-0.6910190959	-2.5517351388	 0.287433
+H	 2.9200892643	-2.1030650634	 2.6691616366	 0.196506
+19
+0 4566	2.2039319	1.6125963	1.3234058	1.2038	76.2	-0.25346	0.03707	0.29053	1069.9328	0.155319	-422.535793	-422.526438	-422.525494	-422.569447	35.205
+C	-0.0467091456	-0.1574147894	 0.2086489228	-0.432319
+C	 1.441770711	-0.0202666435	-0.0990061694	 0.092156
+O	 2.1731682509	-0.1828082325	 1.1264892336	-0.283526
+C	 3.5475666444	-0.4009463967	 0.7829848876	-0.088101
+C	 3.54849839	-1.0394519365	-0.630648315	-0.281449
+C	 2.0489631809	-1.1643103677	-0.9673767566	 0.135866
+O	 1.5192562007	-2.4230703174	-0.5989252126	-0.436962
+C	 1.7253075543	 1.2872397848	-0.7143535729	 0.357559
+C	 1.9676434224	 2.346686423	-1.2289636629	-0.483748
+H	-0.2575467956	-1.1469050597	 0.6157302359	 0.122139
+H	-0.3455950453	 0.6042371775	 0.9320758835	 0.133536
+H	-0.6319103537	-0.0221162459	-0.7042265724	 0.129146
+H	 4.0914167359	 0.5513798976	 0.7889143382	 0.110411
+H	 3.9738012667	-1.045429254	 1.556416063	 0.109742
+H	 4.0572235939	-0.3959588277	-1.3513322101	 0.120368
+H	 4.0187727006	-2.0241942474	-0.6590339669	 0.114386
+H	 1.8328202096	-1.0406111775	-2.029741136	 0.097244
+H	 1.6536998115	-2.5189476263	 0.3519900888	 0.284732
+H	 2.1739192675	 3.2873556393	-1.6773945086	 0.198819
+19
+0 4567	2.3155805	1.5043043	1.1835587	1.6829	76.99	-0.24492	0.03033	0.27525	1122.8119	0.154917	-422.531351	-422.521687	-422.520743	-422.565632	35.47
+C	 0.6336014509	-0.4652285559	-0.6631669636	-0.420821
+C	 1.0305408735	 0.3049778991	 0.5906326416	-0.008147
+C	 1.7880011501	 1.6165545348	 0.3508150351	-0.091757
+O	 2.4730521104	 1.914799066	 1.5672399988	-0.268617
+C	 2.517480202	 0.7618806634	 2.3930328211	-0.096588
+C	 2.0257121076	-0.423200615	 1.5295689354	 0.160854
+O	 3.0786858184	-0.9175934335	 0.7004055247	-0.46404
+C	 1.4318471789	-1.499194487	 2.3203816485	 0.261622
+C	 0.9734572078	-2.3957381387	 2.9776418354	-0.431626
+H	 0.1175972963	-1.3934759586	-0.4003808948	 0.126071
+H	-0.0436732024	 0.1313749697	-1.2826257413	 0.113233
+H	 1.5134257171	-0.7212350656	-1.2571295724	 0.139692
+H	 0.1393335163	 0.522217916	 1.1904670158	 0.091247
+H	 2.5101605135	 1.5017779494	-0.469397859	 0.104331
+H	 1.1197427611	 2.4507816783	 0.1121905384	 0.101515
+H	 3.5443570715	 0.5901829339	 2.7380210427	 0.098492
+H	 1.8729213758	 0.8946711813	 3.2730970696	 0.100217
+H	 3.6833463943	-1.4175780913	 1.258574469	 0.286415
+H	 0.5619728569	-3.1874806863	 3.554068885	 0.197909
+19
+0 4568	2.3559645	1.5044254	1.2052609	1.488	76.91	-0.24792	0.03661	0.28453	1114.2063	0.155265	-422.534601	-422.525257	-422.524313	-422.568285	35.16
+C	 0.0076021978	 0.3446174278	-0.0349461547	-0.40786
+C	 1.4207885664	-0.1729258778	-0.2030204533	 0.080795
+O	 1.4233958948	-1.3600028243	-0.9924202023	-0.277791
+C	 2.7929162538	-1.648161236	-1.2901853274	-0.100339
+C	 3.5335826747	-0.2849902935	-1.3108951455	-0.294892
+C	 2.3981241373	 0.7329804793	-1.0081402271	 0.176391
+O	 1.7776581011	 1.162758097	-2.2167816009	-0.472506
+C	 2.8390433026	 1.9085674508	-0.270525921	 0.330066
+C	 3.204823004	 2.8497268885	 0.3803739948	-0.43277
+H	-0.6145956367	-0.4106001016	 0.45182113	 0.125195
+H	 0.0170008907	 1.2448666833	 0.5856168467	 0.133847
+H	-0.4343416112	 0.5979074054	-1.0007994565	 0.124664
+H	 1.8714057102	-0.3726664611	 0.7834392962	 0.072617
+H	 3.2115841282	-2.3117495882	-0.5210541794	 0.103369
+H	 2.8189611407	-2.1761664774	-2.2468110176	 0.114184
+H	 4.3102254005	-0.2403928242	-0.5449885479	 0.118516
+H	 3.985700009	-0.0483687424	-2.2752275696	 0.124944
+H	 1.3400328777	 0.3795807765	-2.5763511325	 0.28538
+H	 3.5274336987	 3.6910410681	 0.942640038	 0.196189
+19
+0 4569	1.9379258	1.6331418	1.4650836	1.1321	76.66	-0.24912	0.03587	0.28499	1070.3562	0.15431	-422.531598	-422.52194	-422.520996	-422.565929	35.158
+C	-0.0570187173	-0.0697296059	-0.0052689241	-0.417231
+C	 1.2310650992	 0.4295589305	 0.6189415661	 0.119376
+O	 2.1356583242	 0.8321116939	-0.4040270339	-0.2765
+C	 3.4528859705	 0.637582957	 0.0741354754	 0.016996
+O	 3.370032793	 0.040834204	 1.3512605756	-0.270785
+C	 2.0792204704	-0.5791764485	 1.441031012	 0.136719
+C	 1.6934271472	-0.6585126115	 2.9160418808	-0.440827
+C	 2.1089669342	-1.9160794817	 0.8284997097	 0.37221
+C	 2.1479248411	-3.0144986384	 0.3417366384	-0.508337
+H	-0.7658005285	-0.3722398719	 0.7721356942	 0.118139
+H	-0.5173914607	 0.7285098848	-0.5933638185	 0.129138
+H	 0.1360411589	-0.9224759978	-0.6592665966	 0.139414
+H	 1.0198861255	 1.2801890343	 1.2870060222	 0.071254
+H	 3.9867327695	-0.0075688263	-0.6393561518	 0.104435
+H	 3.9843163781	 1.5919039196	 0.1892123026	 0.106381
+H	 2.3888169273	-1.3070596559	 3.4529688083	 0.140842
+H	 1.7271817699	 0.3398418241	 3.3593289321	 0.127109
+H	 0.6858720607	-1.0691842259	 3.023555119	 0.130112
+H	 2.1868094367	-3.9847761141	-0.0891683114	 0.201559
+19
+0 4570	1.8868555	1.6082963	1.4291808	1.7877	75.83	-0.25297	0.02933	0.2823	1076.607	0.155597	-422.543852	-422.534342	-422.533397	-422.577968	35.664
+O	-1.6169033604	 0.1713945385	-1.1605801612	-0.443561
+C	-2.06171459	-0.440811472	 0.0233566472	 0.14563
+C	-2.1494901552	-1.9596905924	-0.117942793	-0.232128
+C	-2.0367865033	-2.5088101708	 1.3353749385	-0.214404
+C	-1.6923305654	-1.2893122996	 2.230659074	-0.260957
+C	-1.1406200046	-0.2279470085	 1.2508007367	 0.155799
+O	-1.3209837293	 1.1231876601	 1.6761077941	-0.479908
+C	 0.2677645956	-0.4771720317	 0.9316376524	 0.333011
+C	 1.436558072	-0.6709685629	 0.7255708088	-0.506089
+H	-1.4856844838	 1.1056156143	-0.9607947007	 0.28738
+H	-3.0377259563	-0.0300175151	 0.3313558087	 0.074729
+H	-3.0673664341	-2.2695636225	-0.6219625512	 0.103924
+H	-1.3088333687	-2.2930153949	-0.7330341064	 0.121599
+H	-2.9632553363	-2.9839671157	 1.6668532483	 0.104543
+H	-1.2538699512	-3.2684891104	 1.3956541389	 0.112414
+H	-2.592000043	-0.8640034296	 2.6865923582	 0.109932
+H	-0.9901742915	-1.5259407077	 3.0331098706	 0.10209
+H	-0.594313067	 1.3513983611	 2.2651525867	 0.284657
+H	 2.4650272626	-0.8398335601	 0.5203688693	 0.20134
+19
+0 4571	3.4303227	1.0343097	0.9352597	1.2934	76.88	-0.24976	0.05147	0.30123	1313.8369	0.155132	-422.526459	-422.516858	-422.515914	-422.562168	33.962
+C	 5.2451779444	 2.1962188761	-1.3265361637	-0.418056
+C	 4.6514371261	 1.3668629108	-0.1909876962	 0.106957
+O	 4.8597999701	 1.975450928	 1.0866543417	-0.267513
+C	 3.7444872659	 2.8002231821	 1.3499363634	 0.017865
+O	 2.7090717433	 2.4351449735	 0.4556019494	-0.260888
+C	 3.1178306323	 1.2630619183	-0.2389350305	 0.105262
+C	 2.592121987	-0.0221894455	 0.4349229486	-0.388283
+C	 1.1397274619	-0.0711878729	 0.5241511738	 0.303749
+C	-0.0599817611	-0.1088630445	 0.5782652097	-0.435523
+H	 5.1608881043	 1.6620628493	-2.2786973738	 0.117543
+H	 4.7232866422	 3.1532339993	-1.4240125488	 0.131958
+H	 6.3029281721	 2.3945423634	-1.1345351155	 0.12814
+H	 5.1294491657	 0.3829385371	-0.1470087667	 0.089114
+H	 3.4449449318	 2.6448511305	 2.395887926	 0.107295
+H	 3.9759119017	 3.8638116774	 1.1878698321	 0.100677
+H	 2.7217437905	 1.3350796363	-1.2559973162	 0.097891
+H	 2.955813456	-0.8861710339	-0.1371665243	 0.128407
+H	 3.0379295644	-0.0995531827	 1.434400368	 0.140926
+H	-1.1196262086	-0.1389889826	 0.6357009628	 0.194479
+19
+0 4572	3.0212015	1.2053308	0.9088329	0.5696	76.65	-0.25194	0.03935	0.29129	1271.4256	0.156216	-422.533027	-422.523759	-422.522815	-422.568061	33.871
+O	 4.0379843002	-1.8340501289	-0.9170930163	-0.438383
+C	 4.1220196564	-0.4698756247	-1.2733385973	 0.116706
+C	 5.0492989712	-0.2861261361	-2.4921760518	-0.25608
+C	 4.2451730393	 0.6311363793	-3.4426477143	-0.083653
+O	 3.1491100897	 1.1413949447	-2.6832845724	-0.26007
+C	 2.7849920842	 0.1263930478	-1.7692902016	 0.106882
+C	 1.9080823186	 0.7527908217	-0.6795155721	-0.384499
+C	 1.5620106351	-0.2082111101	 0.3621166857	 0.289886
+C	 1.3036281637	-1.0215489779	 1.2106401189	-0.451624
+H	 3.4129042805	-1.8976452706	-0.1840751123	 0.284329
+H	 4.4853993218	 0.131450764	-0.4257813491	 0.069182
+H	 6.0053035836	 0.1571657324	-2.2072951466	 0.110538
+H	 5.2486568024	-1.2634205595	-2.9373710548	 0.122643
+H	 4.8129647765	 1.4871632666	-3.8151948778	 0.109746
+H	 3.8700532009	 0.0657062736	-4.3084090409	 0.097216
+H	 2.2287025711	-0.6826683452	-2.2732115967	 0.078655
+H	 2.4517323822	 1.6006846668	-0.24462282	 0.14065
+H	 0.9985200851	 1.1611324642	-1.1343400195	 0.143443
+H	 1.0467383676	-1.7181317782	 1.9703553588	 0.204435
+19
+0 4573	3.2633957	1.0602435	0.8903087	1.0299	76.49	-0.25192	0.0531	0.30501999999999996	1315.0264	0.156549	-422.528127	-422.519008	-422.518064	-422.562488	33.648
+O	 5.2690772073	-0.9743002498	 0.088451954	-0.433636
+C	 4.6694548234	-0.8295681785	-1.1901640711	 0.108281
+C	 4.8371846635	-2.1045878414	-2.0142252446	-0.120893
+O	 3.8949320967	-2.9910093807	-1.4191564228	-0.266843
+C	 2.6984109228	-2.2325626397	-1.1949697929	-0.091053
+C	 3.1224772899	-0.7385871633	-1.1239884935	-0.037882
+C	 2.5928600048	 0.0205941477	 0.1047091219	-0.369565
+C	 1.1356946617	 0.0620343416	 0.1523918195	 0.288555
+C	-0.0664136341	 0.0781487872	 0.1679583592	-0.438663
+H	 5.0789179225	-1.8746862957	 0.3810165174	 0.288793
+H	 5.1209650246	 0.055271497	-1.6459293041	 0.087234
+H	 4.6141411305	-1.9299782017	-3.0795124542	 0.091852
+H	 5.8321553403	-2.5467710178	-1.9228771648	 0.117026
+H	 1.9836969582	-2.4064943189	-2.009552016	 0.105929
+H	 2.244976776	-2.5907623983	-0.2659157631	 0.116576
+H	 2.7737750892	-0.2225245437	-2.0244524709	 0.090347
+H	 2.986919035	-0.4464598796	 1.0137206217	 0.135586
+H	 2.9907907357	 1.0429670563	 0.0987900176	 0.133566
+H	-1.1274711378	 0.1016272793	 0.1966291466	 0.19479
+19
+0 4574	2.3892648	1.4047899	0.93248	2.2285	79.7	-0.24807	-0.05876	0.18931	1246.324	0.156761	-422.572107	-422.563313	-422.562369	-422.605754	32.238
+C	-1.0559168714	 0.8914667274	-0.9929401544	-0.410742
+C	-0.971711525	-0.2746371648	 0.0077412276	-0.117075
+C	-2.0955468427	-1.2811848833	-0.2866949866	-0.081917
+O	-1.9669761937	-2.4727184249	 0.4648536713	-0.247324
+C	-0.8102181511	-3.2020086898	 0.1149684434	-0.133166
+C	 0.4090666886	-2.3468037639	-0.0135958039	-0.131391
+C	 0.3585017703	-1.0073987907	-0.0283135874	 0.19251
+C	 1.6386339599	-0.2525046854	-0.0414203169	 0.087535
+O	 2.7344962234	-0.7529843919	-0.1625375977	-0.267842
+H	-0.8400934165	 0.551326408	-2.0115063757	 0.124964
+H	-2.0630487761	 1.3220678974	-0.9882277446	 0.121796
+H	-0.3581717016	 1.6972990563	-0.7530329002	 0.126628
+H	-1.1296968172	 0.127121991	 1.0187750104	 0.095906
+H	-3.070009302	-0.8576061946	-0.0274019777	 0.11234
+H	-2.1024013958	-1.5084160699	-1.3669140243	 0.088524
+H	-0.6632012613	-3.9507851686	 0.9028822789	 0.130469
+H	-0.9664003036	-3.764591315	-0.8255881868	 0.109255
+H	 1.3764389748	-2.8387159325	-0.0752002966	 0.12832
+H	 1.5401313808	 0.8464280854	 0.0907241612	 0.07121
+19
+0 4575	2.4272038	1.412992	0.9565185	2.3114	80.23	-0.24851	-0.05824	0.19027	1232.7068	0.156601	-422.575822	-422.567026	-422.566082	-422.60942	32.358
+C	-1.0424122774	 0.8501086202	-1.070058476	-0.402196
+C	-1.0258108898	-0.2659206674	-0.0241190322	 0.037945
+O	-2.0750929079	-1.1515528195	-0.3907616151	-0.259914
+C	-2.0369063429	-2.4044197878	 0.2655511529	-0.084045
+C	-0.7922938263	-3.190547445	-0.1534851534	-0.265543
+C	 0.4113475332	-2.3087759144	-0.0317892901	-0.117799
+C	 0.313914718	-0.9752512201	 0.0646540078	 0.159946
+C	 1.5389446026	-0.1773143163	 0.3191799929	 0.09564
+O	 2.6656447595	-0.620469085	 0.3191479113	-0.268889
+H	-0.3445467063	 1.6515934379	-0.8143905668	 0.120262
+H	-0.7755900208	 0.4499168375	-2.0520529852	 0.129368
+H	-2.04811002	 1.2742412839	-1.1282695512	 0.131251
+H	-1.2554291897	 0.174796202	 0.9648108411	 0.078059
+H	-2.0411545825	-2.2706354873	 1.3595781021	 0.094396
+H	-2.9566062794	-2.9248463908	-0.0145365362	 0.111475
+H	-0.6722260187	-4.0873933897	 0.4670170483	 0.11441
+H	-0.8988706302	-3.5449403321	-1.1881400013	 0.129568
+H	 1.4009988549	-2.7555071147	 0.0192093034	 0.125435
+H	 1.3640007135	 0.8994110985	 0.5370677678	 0.070629
+19
+0 4576	2.7683919	1.3797135	1.014183	3.4443	80.13	-0.25209	-0.05849	0.1936	1185.0554	0.158002	-422.595948	-422.587519	-422.586575	-422.628939	31.93
+O	-1.2392800386	-0.4402316249	 1.2114422003	-0.447635
+C	-1.0739940999	 0.2359570297	-0.0318602429	 0.03521
+C	-2.2204346671	 1.2370904511	-0.1955319794	-0.217503
+C	-1.960147228	 2.5306194356	 0.5833048777	-0.208465
+C	-0.6879402549	 3.2198849064	 0.0687827843	-0.256502
+C	 0.4457711675	 2.2487912096	-0.0711992691	-0.126035
+C	 0.2815996044	 0.9172661237	-0.0891979371	 0.21049
+C	 1.4633097692	 0.0462306219	-0.0783772998	 0.089241
+O	 1.4147837371	-1.154395165	 0.1073160364	-0.295777
+H	-0.532279781	-1.0975830292	 1.2484908269	 0.295427
+H	-1.1164669644	-0.495699693	-0.8532651906	 0.078453
+H	-2.3411577549	 1.466413999	-1.2619037255	 0.094247
+H	-3.1414001134	 0.7521963579	 0.1402330932	 0.113073
+H	-2.814346274	 3.2100007174	 0.5052863883	 0.095678
+H	-1.8349687964	 2.2860183111	 1.6439623578	 0.122956
+H	-0.8734373208	 3.6934739886	-0.908264087	 0.121995
+H	-0.3850987263	 4.0385093294	 0.7329976841	 0.11614
+H	 1.455398727	 2.6550684496	-0.1346000108	 0.100835
+H	 2.4383287347	 0.5604968609	-0.2279559768	 0.078173
+19
+0 4577	2.4726254	1.5329747	0.9992372	2.8241	79.77	-0.24294	-0.05354	0.18939999999999999	1187.3165	0.157321	-422.572805	-422.564154	-422.563209	-422.606751	32.025
+C	 0.2633177536	-2.4401731487	 0.3646513634	-0.400392
+C	-0.7525921695	-1.3812318309	-0.0841479563	-0.102863
+C	-1.9431094452	-1.3054287779	 0.8752971356	-0.109289
+O	-3.0457082038	-0.6239990731	 0.301550538	-0.238264
+C	-3.1233150817	 0.7427948418	 0.5964671459	-0.141585
+C	-1.9522565228	 1.5978495113	 0.2213648031	-0.052927
+C	-0.7178835691	 1.2718274796	-0.1811220716	-0.141815
+C	-0.0506955735	-0.0435492042	-0.3575595952	 0.357636
+O	 1.1065727661	-0.0385629867	-0.738225466	-0.331063
+H	 0.6325826554	-2.2282004622	 1.3743757043	 0.117225
+H	-0.1933810324	-3.4341236466	 0.3722879791	 0.110443
+H	 1.1221439454	-2.445415339	-0.3064682142	 0.147103
+H	-1.1710952913	-1.6851634788	-1.0551520731	 0.117267
+H	-2.2891108694	-2.3228870649	 1.0867582849	 0.112567
+H	-1.6541299596	-0.8506741053	 1.8352023653	 0.097362
+H	-4.0102679042	 1.1151781054	 0.0678140404	 0.130205
+H	-3.3234188457	 0.9053860874	 1.6739515902	 0.109002
+H	-2.1720812533	 2.6614392233	 0.3187393226	 0.110675
+H	-0.0258181292	 2.0794199296	-0.4055363567	 0.108715
+19
+0 4578	2.3943473	1.5824286	1.0624758	3.1383	79.83	-0.23476	-0.05309	0.18167	1158.9217	0.157252	-422.576953	-422.568366	-422.567422	-422.610477	32.119
+C	 0.3997330459	-2.3406160111	-0.1587337977	-0.397269
+C	-0.8035496944	-1.4097047888	-0.0188099966	 0.023426
+O	-1.4616618309	-1.3861070625	-1.2675175456	-0.250925
+C	-2.6583622733	-0.6343546524	-1.3048388642	-0.095491
+C	-2.409509892	 0.750969598	-1.8886505974	-0.255743
+C	-1.3971987298	 1.5794172011	-1.1605056818	-0.035843
+C	-0.5559596559	 1.2410022985	-0.1736988093	-0.132567
+C	-0.3398340899	-0.0456171626	 0.5313973521	 0.321113
+O	 0.2613058936	-0.0402023157	 1.5906387811	-0.334898
+H	 0.9398959754	-2.3849111995	 0.7877751626	 0.143547
+H	 0.0630198968	-3.3414010831	-0.4390649997	 0.121791
+H	 1.0736800557	-1.9717249049	-0.9377336745	 0.125512
+H	-1.4809486785	-1.8155872839	 0.751905083	 0.09598
+H	-3.3694614509	-1.1789870468	-1.9363675748	 0.109015
+H	-3.1005737981	-0.5541981347	-0.3005540493	 0.0997
+H	-2.0810623358	 0.6457835043	-2.9330318767	 0.132281
+H	-3.3570210456	 1.3063006384	-1.9360963274	 0.113198
+H	-1.36066868	 2.6183392916	-1.4867091126	 0.107615
+H	 0.0674424879	 2.0207327343	 0.2572341088	 0.109558
+19
+0 4579	2.4443029	1.51721	0.9829115	3.9337	79.22	-0.25434	-0.05969	0.19465000000000002	1191.8336	0.158481	-422.590604	-422.582361	-422.581417	-422.62349	31.633
+O	-0.2950833995	-2.5494381653	 0.4884971423	-0.444472
+C	-1.0611266681	-1.4536936018	 0.0674804836	 0.046495
+C	-1.36220981	-1.5746565912	-1.4309267996	-0.220469
+C	-2.5083666119	-0.6777916408	-1.9056107432	-0.214683
+C	-2.1552823586	 0.798635249	-2.1130729831	-0.256172
+C	-1.5390995725	 1.5705304976	-0.9807197544	-0.031997
+C	-0.8167626751	 1.1822337381	 0.0798808618	-0.139662
+C	-0.3591952829	-0.1591476789	 0.4897669893	 0.335177
+O	 0.5970277314	-0.2544247543	 1.2447860209	-0.351889
+H	 0.3912754663	-2.1670722056	 1.0613490076	 0.290552
+H	-2.0325830643	-1.4385250276	 0.6004415875	 0.08607
+H	-0.4494423644	-1.3922144408	-2.0116063087	 0.102494
+H	-1.6294618776	-2.6230328659	-1.5957775162	 0.120731
+H	-2.8898241153	-1.0598678485	-2.8587875221	 0.104705
+H	-3.3410549655	-0.7531547144	-1.1943216007	 0.105908
+H	-1.4658364607	 0.8918606246	-2.9678429293	 0.129223
+H	-3.0580563023	 1.3365341934	-2.4286906255	 0.115254
+H	-1.6556223517	 2.6485251274	-1.090820978	 0.110721
+H	-0.3986369574	 1.9535892648	 0.7215883777	 0.112013
+19
+0 4580	2.4006295	1.5679455	1.0767629	2.4501	80.14	-0.23775	-0.03319	0.20456	1135.8593	0.158115	-422.54335	-422.534884	-422.53394	-422.57621	32.25
+O	-0.1239089857	 1.4156764843	 0.0393446288	-0.438298
+C	 0.030258222	-0.0087818364	 0.010968065	 0.077638
+C	-1.403976851	-0.5333162603	-0.1571826749	-0.088912
+O	-1.5086455189	-1.8298585448	-0.7071186894	-0.25557
+C	-0.841862394	-2.8650901433	 0.0162886572	-0.120925
+C	-1.2147984766	-2.9182060448	 1.4707566534	-0.085149
+C	-0.6069677012	-2.1935519042	 2.4189292377	-0.072972
+C	 0.5255237581	-1.2823631152	 2.2368865657	-0.087064
+C	 0.8097551778	-0.43958691	 1.2335645824	-0.100072
+H	 0.6970922485	 1.8041981163	 0.3578382792	 0.280444
+H	 0.6011124505	-0.2989179503	-0.888049308	 0.083359
+H	-1.9392489163	-0.4445174021	 0.7962018195	 0.104815
+H	-1.8945503953	 0.1252277284	-0.8784418516	 0.120897
+H	-1.1307028641	-3.7887334713	-0.4925650753	 0.108174
+H	 0.2481951244	-2.7533618842	-0.0797765493	 0.100959
+H	-2.0433427248	-3.5625944552	 1.7519746621	 0.096838
+H	-0.9264393973	-2.3236607103	 3.4518229341	 0.096834
+H	 1.2424559688	-1.3045996425	 3.0576990513	 0.09669
+H	 1.7581431654	 0.0964320361	 1.3181942419	 0.082314
+19
+0 4581	2.5485953	1.4234171	0.971067	1.8298	77.36	-0.25749	0.03205	0.28954	1211.6122	0.156511	-422.525776	-422.516983	-422.516039	-422.558969	33.248
+C	 2.0378574238	-0.2393838081	-1.298405981	-0.416242
+C	 1.5649488062	 0.0560206359	 0.124656263	 0.001667
+C	 2.6304384835	-0.3205105347	 1.1638253956	-0.101885
+O	 2.2286363367	 0.033905559	 2.4780594976	-0.23222
+C	 1.939037556	 1.4010399407	 2.5566010565	 0.016905
+O	 0.8867406854	 1.7840122153	 1.7090685948	-0.250318
+C	 1.2137462052	 1.5490691449	 0.3375980245	-0.076416
+C	 0.0944726826	 1.9925177532	-0.4856066516	 0.310643
+C	-0.818115278	 2.3364871423	-1.1866610352	-0.414062
+H	 2.275201487	-1.3016731661	-1.4155933265	 0.119809
+H	 1.2669902292	 0.0187428086	-2.0288396798	 0.137007
+H	 2.9405452068	 0.3321893433	-1.544671921	 0.116654
+H	 0.6575994368	-0.5172881184	 0.345146433	 0.100029
+H	 2.8075600595	-1.3995506136	 1.1689964965	 0.11503
+H	 3.5837393395	 0.1791047392	 0.9137161083	 0.086525
+H	 1.6122170472	 1.607037676	 3.5773192686	 0.121862
+H	 2.845154486	 1.9916686619	 2.3156071448	 0.074363
+H	 2.1054287375	 2.1502673639	 0.0776632756	 0.091791
+H	-1.6270279607	 2.6516130166	-1.7983812237	 0.198857
+19
+0 4582	2.5297188	1.4584305	0.9855342	0.3886	78.36	-0.23738	0.03167	0.26905	1203.1033	0.156037	-422.521222	-422.512356	-422.511412	-422.554462	33.561
+C	 0.1280245946	 0.6295803282	-0.0850894251	-0.412317
+C	 1.1587324725	-0.4860776157	-0.1017176812	 0.112179
+O	 1.343008904	-0.9140446275	 1.2420676151	-0.263375
+C	 2.2863851474	-1.9676809513	 1.3490084065	-0.081246
+C	 3.6271407096	-1.5271916018	 0.7796273123	-0.07555
+O	 3.4745631353	-1.1087367349	-0.568466799	-0.265866
+C	 2.5265212974	-0.0481716905	-0.6816906962	-0.076153
+C	 2.4337264402	 0.3338781043	-2.0854044668	 0.30718
+C	 2.3239635806	 0.6541246333	-3.2378668997	-0.417197
+H	 0.4917596589	 1.4784317727	 0.5025368354	 0.123715
+H	-0.0876854937	 0.9699785908	-1.1001618111	 0.133741
+H	-0.7965415494	 0.2701842853	 0.3735721519	 0.127879
+H	 0.8040979745	-1.3326474362	-0.7124102621	 0.080228
+H	 2.3688374203	-2.2126738353	 2.4123660675	 0.108016
+H	 1.929555761	-2.8581413082	 0.8068402951	 0.096808
+H	 4.0356801146	-0.705897044	 1.3908851682	 0.095457
+H	 4.3472199837	-2.3506539493	 0.7695394366	 0.110761
+H	 2.8738750237	 0.8147051825	-0.0857625021	 0.09683
+H	 2.2384333549	 0.9388804277	-4.2575168853	 0.19891
+19
+0 4583	2.5030872	1.4339438	0.9714449	1.3306	77.51	-0.25315	0.04453	0.29768	1209.4538	0.156693	-422.532825	-422.524041	-422.523097	-422.566015	33.247
+C	 0.2845211249	 0.311351365	-0.6079881494	-0.409864
+C	 0.9449200751	-0.6005729405	 0.4103056606	 0.12235
+O	 1.7019314478	 0.2189035719	 1.2963625993	-0.246725
+C	 2.3477014276	-0.5272453426	 2.2912849785	 0.008023
+O	 3.2809422453	-1.4328455649	 1.7641359085	-0.230196
+C	 2.6499190696	-2.3757754054	 0.9188596121	-0.105468
+C	 1.8895715142	-1.6587621834	-0.222032707	-0.193369
+C	 1.1758917102	-2.6185701052	-1.0505376483	 0.312569
+C	 0.5797386529	-3.4348506017	-1.7020509964	-0.451829
+H	-0.358210289	 1.0363567976	-0.1019781336	 0.125648
+H	 1.0431475995	 0.8612617633	-1.1734015004	 0.126446
+H	-0.319612462	-0.273340818	-1.3057996455	 0.133341
+H	 0.1749687085	-1.1406332571	 0.9880099959	 0.074994
+H	 2.9005940835	 0.1776641564	 2.9147132922	 0.119502
+H	 1.5988765743	-1.0733605772	 2.8974032176	 0.076417
+H	 3.4314650619	-3.025048047	 0.5190573417	 0.124595
+H	 1.941148548	-2.9965692493	 1.490924736	 0.100025
+H	 2.6272782182	-1.116103298	-0.8271279529	 0.115361
+H	 0.0594061394	-4.1482618739	-2.2920607589	 0.198182
+19
+0 4584	2.5205556	1.4212091	0.9669176	2.5146	78.06	-0.24836	0.03995	0.28831	1216.8547	0.156289	-422.530326	-422.521328	-422.520384	-422.563728	34.036
+O	 0.9872405634	-1.2476785679	 1.1161507256	-0.430324
+C	 0.1060690822	-0.4885958326	 1.924959238	 0.114074
+C	 0.8558109499	 0.5234789611	 2.7997351256	-0.243683
+C	-0.1164957467	 1.4979159086	 3.4767124422	-0.209996
+C	-1.0365617032	 2.1120216417	 2.4227090162	-0.061246
+O	-1.7243634958	 1.1087038755	 1.6905999048	-0.260633
+C	-0.8446399237	 0.2584957226	 0.9625216381	-0.071183
+C	-1.651909713	-0.6563665935	 0.1628659942	 0.317901
+C	-2.3144900469	-1.413341823	-0.4922975965	-0.413364
+H	 1.5690146027	-1.7486100997	 1.6962599044	 0.284505
+H	-0.5167959947	-1.1403233877	 2.5569128941	 0.080488
+H	 1.4623550472	-0.0078233247	 3.5437013134	 0.088395
+H	 1.5522423788	 1.0734550028	 2.1531991703	 0.106645
+H	-0.7294402226	 0.9695604761	 4.2165725748	 0.108915
+H	 0.4289195571	 2.2863930514	 4.0072408379	 0.099018
+H	-1.813354018	 2.7324386538	 2.877908617	 0.10974
+H	-0.4522756238	 2.7478879232	 1.7351358164	 0.088186
+H	-0.2123360904	 0.8623704601	 0.2871496198	 0.099304
+H	-2.8985069227	-2.0813880177	-1.0755264161	 0.19326
+19
+0 4585	2.4539589	1.3950575	0.9470541	0.8339	77.57	-0.25057	0.04995	0.30052	1227.7282	0.156944	-422.534063	-422.525202	-422.524258	-422.567301	33.775
+O	-1.6809785069	-1.993138967	 3.3086787162	-0.42972
+C	-1.1830100849	-0.8454921084	 2.6489655597	 0.133739
+C	-0.3520463724	 0.0487756035	 3.5760982153	-0.237078
+C	 0.1280998779	 1.3034089108	 2.8425741796	-0.086837
+O	-0.9597570742	 2.0260807129	 2.2912935316	-0.238474
+C	-1.6782521685	 1.2651477223	 1.3465082659	-0.094921
+C	-2.3011220896	-0.0037820016	 1.9835293664	-0.225629
+C	-3.0554097745	-0.7579637212	 0.9924343569	 0.316573
+C	-3.6567639401	-1.3495474372	 0.1361207262	-0.436677
+H	-2.2598430545	-1.7008209578	 4.0216964036	 0.277806
+H	-0.5396353253	-1.2391811654	 1.8525024964	 0.099501
+H	-0.9699451675	 0.3524627501	 4.4322714296	 0.09485
+H	 0.4987610556	-0.5186431902	 3.9673526523	 0.10807
+H	 0.6399221193	 1.9885403925	 3.5236357119	 0.112185
+H	 0.8389880304	 1.0253515627	 2.0456301531	 0.092062
+H	-2.4642524582	 1.9108416509	 0.948532715	 0.12265
+H	-1.0280361474	 0.9620106057	 0.5092470746	 0.099789
+H	-2.9807373035	 0.3349523388	 2.7799023121	 0.097639
+H	-4.1958690958	-1.8854844413	-0.6052336062	 0.194471
+19
+0 4586	2.6123101	1.3593783	0.9488387	1.763	77.47	-0.25404	0.04182	0.29586	1222.5811	0.157106	-422.536143	-422.527388	-422.526443	-422.569236	33.578
+O	-1.3304810529	-1.7693332873	-0.1870717008	-0.440863
+C	-2.1166127086	-0.622314709	 0.0526969613	 0.119817
+C	-1.7973035236	 0.3884887788	-1.0502981175	-0.095249
+O	-2.5315577748	 1.5858943475	-0.8842489933	-0.244626
+C	-2.2310473794	 2.2364236579	 0.3386173045	-0.081624
+C	-2.5651288409	 1.3602507669	 1.547548329	-0.218157
+C	-1.8182091218	 0.0132197489	 1.4340424385	-0.191193
+C	-2.1430702124	-0.9203911747	 2.5066668659	 0.267694
+C	-2.427908338	-1.7274194092	 3.3525934977	-0.430978
+H	-1.4801093725	-2.3795274917	 0.544817148	 0.288796
+H	-3.1919291482	-0.8574747351	 0.01023338	 0.080196
+H	-0.7115129888	 0.5834240225	-1.0510463904	 0.094179
+H	-2.0700306309	-0.0221654279	-2.0254929018	 0.118485
+H	-1.1636862125	 2.517814999	 0.3646378607	 0.087916
+H	-2.8217607342	 3.1566108488	 0.3489819997	 0.110915
+H	-2.2886340981	 1.8712938288	 2.4754866915	 0.109701
+H	-3.6446604799	 1.1776584304	 1.581007057	 0.118288
+H	-0.7362473293	 0.2089929211	 1.4600161266	 0.108673
+H	-2.6730512132	-2.4211015155	 4.1186452935	 0.198031
+19
+0 4587	2.7766884	0.7397058	0.674099	2.8982	82.68	-0.25477	-0.05212	0.20265	1749.251	0.153381	-422.53994	-422.528806	-422.527862	-422.578133	37.474
+C	-1.7127049715	-3.627214423	 0.9462869624	-0.403273
+C	-2.4740147263	-2.8418832004	-0.1352151798	-0.065511
+C	-3.4275430441	-1.8060241175	 0.4843947037	-0.402795
+C	-1.5042198934	-2.1736159704	-1.1056323471	 0.243409
+O	-1.4722028597	-2.4361296275	-2.28979501	-0.295372
+C	-0.5990537824	-1.1861768783	-0.5393645131	 0.050961
+C	 0.1557699251	-0.3594217637	-0.084180773	 0.03427
+C	 1.1195807185	 0.6248428649	 0.4041285137	-0.195431
+O	 1.7095798041	 1.4041500854	-0.6203646422	-0.394988
+H	-1.0967809379	-2.9597386407	 1.5571908385	 0.126301
+H	-2.4205002428	-4.1344125124	 1.6091633871	 0.121969
+H	-1.0589969733	-4.3854724073	 0.5046830131	 0.12682
+H	-3.048200895	-3.5393649549	-0.7537617895	 0.100166
+H	-2.8769114092	-1.0699378487	 1.0785021378	 0.127465
+H	-3.9905607164	-1.2698683304	-0.2854270378	 0.128537
+H	-4.1445507496	-2.3047092111	 1.1438411671	 0.121504
+H	 0.6204624555	 1.3334234743	 1.0746695934	 0.150858
+H	 1.8771948646	 0.0999681049	 1.009374754	 0.129828
+H	 2.0541000138	 0.8016381769	-1.2882652884	 0.295283
+19
+0 4588	3.1276143	0.7786328	0.6423121	3.6292	83.78	-0.24805	-0.05588	0.19217	1769.2472	0.153032	-422.545283	-422.534143	-422.533198	-422.583959	37.649
+C	 6.4722131067	 0.2144167977	 0.0526431014	-0.374351
+C	 5.8720635971	-0.9807434517	 0.8147544454	-0.324143
+C	 4.4204781455	-0.936043993	 0.922299978	 0.145438
+C	 3.2146964569	-0.9071453939	 1.0094800906	-0.025229
+C	 1.7696693807	-0.883506107	 1.1506571073	 0.183938
+O	 1.1721775037	-1.7160042098	 1.7976949499	-0.291978
+C	 1.0510592366	 0.2967839326	 0.4704607099	 0.039446
+C	-0.2686646948	-0.1469311868	-0.1480773883	-0.384079
+O	 1.8307149822	 0.9142218487	-0.533618231	-0.432032
+H	 6.0830817865	 0.2606526684	-0.9678409761	 0.137462
+H	 6.2315610867	 1.1562416189	 0.5530652593	 0.132052
+H	 7.5604263603	 0.1211107179	 0.0025947804	 0.126678
+H	 6.1531341827	-1.9196042412	 0.3204611991	 0.149909
+H	 6.2983764774	-1.0359151078	 1.8245498233	 0.147524
+H	 0.8391014459	 1.0064750504	 1.2923000179	 0.097966
+H	-0.8717784752	-0.6676978147	 0.5972808102	 0.140381
+H	-0.8166435992	 0.7221438377	-0.5194917621	 0.123147
+H	-0.079349255	-0.8228009429	-0.9868540926	 0.128051
+H	 2.7291856252	 1.0158602365	-0.1980384226	 0.279819
+19
+0 4589	3.0089977	0.7233362	0.6883122	1.4913	82.19	-0.24867	-0.03036	0.21831	1715.8215	0.152573	-422.537791	-422.526564	-422.52562	-422.575994	38.109
+C	 4.444150558	-1.2448103361	-0.869928672	-0.402941
+C	 3.9534806716	-0.0475820408	-0.0390749357	-0.015912
+C	 4.4658678363	 1.2921842233	-0.629502277	-0.413314
+C	 4.4865126767	-0.132930371	 1.4028016294	 0.161947
+O	 5.2588603371	-0.9618358004	 1.7997933675	-0.24438
+C	 2.4920858862	-0.0197824356	 0.0561708665	 0.086585
+C	 1.2907224148	-0.0105857576	 0.1606821524	 0.005913
+C	-0.1660399185	 0.0462803785	 0.2876918512	-0.19514
+O	-0.7269076188	 1.2816143139	-0.1327125478	-0.399291
+H	 4.0860086414	-2.1846239913	-0.4449973677	 0.135219
+H	 4.0817450244	-1.1641958325	-1.8976709281	 0.121248
+H	 5.5365481526	-1.2722719919	-0.8761783355	 0.129005
+H	 4.1701329362	 2.1400447926	-0.0046840912	 0.126068
+H	 5.5573030822	 1.2769112813	-0.7067407682	 0.129799
+H	 4.0446441402	 1.4430752298	-1.626558523	 0.138642
+H	 4.0927482465	 0.6682993928	 2.0676380307	 0.083532
+H	-0.6260852966	-0.7197981021	-0.3462286828	 0.144533
+H	-0.4487361477	-0.1916567881	 1.3256754076	 0.121202
+H	-0.2781919227	 1.9825496253	 0.351447314	 0.287287
+19
+0 4590	2.7005883	0.8058484	0.7167379	2.7194	82.78	-0.25275	-0.04004	0.21270999999999998	1678.6608	0.15276	-422.54429	-422.53339	-422.532446	-422.581653	37.754
+C	-0.0819266493	-0.1450923266	 0.0077942138	-0.365857
+C	 1.4545531701	-0.1183759355	-0.0874892939	-0.31689
+C	 2.0112554342	 1.2276942233	-0.0061600537	 0.015664
+C	 2.4558938627	 2.3444563367	 0.0861747507	 0.104237
+C	 2.9796762733	 3.7187535533	 0.1579225104	 0.094323
+C	 4.4606875018	 3.7685771542	-0.2609659815	-0.41084
+O	 2.8356805944	 4.2811182052	 1.4406601301	-0.440888
+C	 2.1377992582	 4.5289079752	-0.8407741028	 0.138178
+O	 1.4326361211	 5.4373449175	-0.4831472405	-0.264567
+H	-0.4192633377	 0.2854077528	 0.9542039268	 0.134292
+H	-0.5325373559	 0.4310217909	-0.804815622	 0.128845
+H	-0.4479740821	-1.1740146589	-0.0543715018	 0.117476
+H	 1.88439623	-0.7320859302	 0.7144181633	 0.136837
+H	 1.7748966253	-0.5851783969	-1.0277317553	 0.131918
+H	 5.048050903	 3.1807986284	 0.447609604	 0.145945
+H	 4.6029183043	 3.3522525339	-1.2622450585	 0.122975
+H	 4.8144899472	 4.8030601484	-0.2393678775	 0.129382
+H	 2.1167576743	 4.9288831962	 1.3603636274	 0.292854
+H	 2.2100781451	 4.2114019319	-1.8991707592	 0.106117
+19
+0 4591	2.6617835	0.7555055	0.6736164	2.2195	81.49	-0.2407	-0.02002	0.22068	1731.0409	0.152844	-422.544409	-422.53308	-422.532136	-422.584155	37.816
+C	 4.3254803122	 0.0748820343	-1.5301229012	-0.382043
+C	 3.8945309482	 0.1078404556	-0.0554378681	-0.236412
+C	 2.4403372758	 0.0974903814	 0.0967961791	 0.083001
+C	 1.2396493539	 0.1036611087	 0.2071812675	 0.014586
+C	-0.2190809296	 0.1608579223	 0.3101998712	-0.188504
+O	-0.8415728979	 0.7798653497	-0.8060362865	-0.400031
+C	 4.4848740405	 1.3387096749	 0.6834777746	 0.384582
+C	 4.3219520818	 1.3574656749	 2.189772635	-0.47862
+O	 5.0553425921	 2.211756715	 0.0782599228	-0.286565
+H	 3.9152597255	-0.8090227107	-2.0235064225	 0.122339
+H	 3.9708743134	 0.9667021207	-2.0498419589	 0.140626
+H	 5.4153200105	 0.0540896402	-1.6041565257	 0.12577
+H	 4.2918864651	-0.7806729019	 0.4586299191	 0.116955
+H	-0.6341294011	-0.8521642767	 0.3576834777	 0.141226
+H	-0.4968655119	 0.6598846386	 1.2528379288	 0.11707
+H	-0.4085598249	 1.6288537864	-0.9439865366	 0.288837
+H	 4.9228154761	 0.5529985781	 2.6310771925	 0.141784
+H	 4.65824834	 2.3154814588	 2.5873099226	 0.14373
+H	 3.2815435604	 1.1707025698	 2.4694710487	 0.151668
+19
+0 4592	2.578594	0.7948333	0.7034581	3.2606	81.49	-0.24736	-0.0298	0.21756	1662.0603	0.152983	-422.549128	-422.538045	-422.537101	-422.588585	37.352
+C	 0.1216006359	-0.1618465678	-0.3791587406	-0.365665
+C	 1.3901860652	 0.0381530167	 0.4699076809	-0.316022
+C	 1.9918594989	 1.3571540098	 0.3051832368	 0.033521
+C	 2.4861019769	 2.4450181534	 0.1484223984	 0.090957
+C	 3.091931564	 3.7666221492	-0.0556451042	-0.121561
+O	 3.9424502234	 3.8129754984	-1.1699564316	-0.414335
+C	 1.9706083059	 4.826976086	-0.212949381	 0.374006
+C	 1.0374514015	 5.0529714089	 0.9475662579	-0.48122
+O	 1.902349254	 5.4345234203	-1.2568832929	-0.310334
+H	-0.6471664917	 0.5674693089	-0.1094103703	 0.125327
+H	 0.3435078533	-0.040076646	-1.4425702097	 0.134036
+H	-0.2857691997	-1.1650856799	-0.2236071235	 0.117176
+H	 1.1544603414	-0.122266179	 1.5298045625	 0.130426
+H	 2.1321003501	-0.7272108018	 0.2087511462	 0.137375
+H	 3.6643134974	 4.0353287101	 0.8481503393	 0.113107
+H	 3.4869338152	 4.3945888335	-1.8022595049	 0.293354
+H	 0.5813538658	 4.1075005101	 1.2533010208	 0.161635
+H	 1.605077313	 5.4283422323	 1.8069955644	 0.14913
+H	 0.2693028997	 5.7767737268	 0.6739664616	 0.149086
+19
+0 4593	3.1077707	0.6961901	0.5951127	1.0877	80.99	-0.25356	0.02882	0.28238	1846.2162	0.154399	-422.499064	-422.488579	-422.487635	-422.537542	35.806
+C	 4.4548926362	-1.3770556046	-0.1087090109	-0.392309
+C	 3.8462597746	 0.0344638919	 0.0235667268	-0.187225
+C	 2.3848943962	-0.0064390578	 0.061045468	 0.060332
+C	 1.1817649633	-0.0609073988	 0.1099780236	 0.047512
+C	-0.2798095631	-0.0697370786	 0.1708569525	-0.191615
+O	-0.8805004352	 1.0763114969	-0.4171776031	-0.401549
+C	 4.3905874871	 0.7368895099	 1.2606265223	 0.105616
+C	 4.7187837171	 2.1647876386	 1.2638309007	-0.179866
+O	 5.746372098	 1.1707146141	 1.180685003	-0.237803
+H	 4.166182696	-2.0038691113	 0.7404379943	 0.124709
+H	 4.1073671168	-1.8633653453	-1.0233094269	 0.127168
+H	 5.5453764161	-1.3052522799	-0.1362152947	 0.136161
+H	 4.1623344573	 0.6256117533	-0.8463683452	 0.110408
+H	-0.6750918685	-0.9284572301	-0.3832222149	 0.140864
+H	-0.5989907837	-0.196060423	 1.218062523	 0.116794
+H	-0.4611636724	 1.8511442835	-0.0288309809	 0.286427
+H	 4.1219383997	 0.2645618075	 2.2070338089	 0.0997
+H	 4.5642548102	 2.7513895436	 0.3591129851	 0.116541
+H	 4.6888977943	 2.7289180502	 2.1945564186	 0.118135
+19
+0 4594	3.6100395	0.6813444	0.5992045	3.6967	81.3	-0.25301	0.02917	0.28218	1873.4907	0.154155	-422.499685	-422.489169	-422.488224	-422.537325	35.986
+C	-3.4659900027	 1.3355957007	 4.7670150001	-0.365953
+C	-3.0541819832	 2.022430084	 3.4516795162	-0.316127
+C	-2.2338405019	 1.1703147601	 2.5970933961	 0.07397
+C	-1.5735535924	 0.4461058738	 1.8953532488	 0.031653
+C	-0.7226576634	-0.4348505273	 1.0909212763	-0.069377
+O	-0.5440741607	-1.7113065707	 1.6981671218	-0.413153
+C	 0.6144532002	 0.2326375589	 0.8062274494	 0.083672
+C	 0.8138724888	 1.0750006003	-0.3766001794	-0.17356
+O	 1.3323548317	-0.2563274844	-0.3203568798	-0.226015
+H	-4.0433618787	 0.4289759683	 4.5677295598	 0.133197
+H	-2.5857343915	 1.0541872992	 5.3513527766	 0.126738
+H	-4.0791661527	 2.0102134865	 5.3714039918	 0.118476
+H	-3.9527545724	 2.3277378987	 2.900644258	 0.134324
+H	-2.507988679	 2.9476347963	 3.6755754704	 0.131237
+H	-1.1964642827	-0.6441966419	 0.1242375844	 0.119354
+H	-0.3598212793	-1.5634141323	 2.6322682621	 0.28313
+H	 1.224334147	 0.4205452567	 1.6919189777	 0.094058
+H	-0.0094167917	 1.226939274	-1.073585567	 0.117025
+H	 1.5551675045	 1.8718889691	-0.3529069434	 0.11735
+19
+0 4595	3.6904274	0.6639585	0.583722	1.6336	81.6	-0.25556	0.02486	0.28042	1885.5727	0.154717	-422.502374	-422.491855	-422.490911	-422.540038	36.368
+O	 0.7487207085	 0.1122375228	-5.8368421862	-0.401292
+C	 0.7459547499	-0.6121959645	-4.6149575926	-0.190161
+C	 0.7090503917	 0.2429658094	-3.4289509576	 0.052564
+C	 0.6256773415	 0.9803032758	-2.478567735	 0.053654
+C	 0.6084454978	 1.8752908495	-1.3147686588	-0.079171
+O	 1.3846068903	 3.0486454893	-1.5508723454	-0.414858
+C	 1.0348459216	 1.1404456969	-0.0546970894	 0.027205
+C	 0.6306334464	 1.6883408775	 1.286736664	-0.275346
+C	 0.0058980492	 0.4148864099	 0.7743079419	-0.260232
+H	 0.0247791177	 0.7459923736	-5.7971550462	 0.289003
+H	-0.09466917	-1.3235879049	-4.5703057795	 0.119634
+H	 1.6634164085	-1.2112711661	-4.6226975463	 0.139221
+H	-0.4121127269	 2.250106359	-1.1621166712	 0.107853
+H	 2.2524481021	 2.7630579936	-1.8573536431	 0.282681
+H	 2.0157549835	 0.6782436872	-0.1281484622	 0.084918
+H	 1.3433318956	 1.6245949545	 2.1011524475	 0.11405
+H	 0.022577536	 2.5867510444	 1.2993154558	 0.120165
+H	 0.2886036438	-0.5258762357	 1.2326174459	 0.114872
+H	-1.0272778869	 0.452228528	 0.4441300783	 0.11524
+19
+0 4596	2.4229971	0.7099917	0.5761117	2.7988	81.85	-0.24601	-0.02352	0.22249000000000002	1892.3698	0.153331	-422.53351	-422.522423	-422.521479	-422.572777	36.948
+C	 4.2812626417	-0.1963944899	 1.5553357286	-0.386288
+C	 3.8911089021	 0.0744533767	 0.088106547	-0.156552
+C	 4.5957465675	 1.3536786307	-0.4356308292	-0.269111
+C	 4.3512351187	 1.6137375556	-1.906333759	 0.15351
+O	 5.2230427418	 1.8179099015	-2.7122803379	-0.241886
+C	 2.4369654715	 0.1589979329	-0.0551677319	 0.083254
+C	 1.2388866909	 0.2480460648	-0.1568643024	 0.023447
+C	-0.2210474239	 0.3208723681	-0.2341061371	-0.192322
+O	-0.8415437908	 0.6034428105	 1.0122526454	-0.39982
+H	 3.8080200486	-1.1125296214	 1.9176521003	 0.126871
+H	 5.3660286471	-0.3060467177	 1.6457807111	 0.122115
+H	 3.9619758892	 0.6298146525	 2.1974909185	 0.130275
+H	 4.2471566992	-0.772715615	-0.5145813788	 0.117833
+H	 4.2118519403	 2.2155164239	 0.1275833716	 0.12918
+H	 5.6750524714	 1.2879786634	-0.272591158	 0.120932
+H	 3.2803306408	 1.6057321097	-2.2063670614	 0.089406
+H	-0.5223574828	 1.1325763324	-0.9055143944	 0.142058
+H	-0.6084957862	-0.6122847893	-0.6734539264	 0.119701
+H	-0.521863747	-0.0460512594	 1.647154494	 0.287398
+19
+0 4597	4.2773597	0.6163723	0.5821536	2.5346	83.15	-0.25573	0.00827	0.264	1896.7672	0.153986	-422.55697	-422.546226	-422.545282	-422.595937	36.127
+C	-0.0368116923	-0.1732894978	-0.0283285855	-0.365574
+C	 1.4832745732	-0.0112028687	 0.1532286544	-0.317256
+C	 1.9301492493	 1.3746387242	 0.0642472406	 0.108811
+C	 2.2799666751	 2.5247242802	-0.0040742328	 0.057837
+C	 2.7097133301	 3.9091978452	-0.1352295366	-0.06167
+C	 1.8780505342	 4.7049181181	-1.1436605977	-0.396477
+O	 2.5897667452	 4.5325763477	 1.1835764222	-0.211703
+C	 3.4711246052	 5.5001151428	 1.4623258889	 0.191476
+O	 4.3369048924	 5.9132515205	 0.7387215264	-0.308034
+H	-0.5809752343	 0.3859968963	 0.7373237948	 0.13113
+H	-0.3534567237	 0.1982082083	-1.0066308695	 0.128546
+H	-0.3187261663	-1.2275013998	 0.0481155372	 0.116827
+H	 1.7848681575	-0.4229326017	 1.124797577	 0.135085
+H	 2.011037791	-0.6080369481	-0.6016741172	 0.133118
+H	 3.7660602207	 3.9586370788	-0.4162008119	 0.138461
+H	 0.8308108829	 4.7330667084	-0.8331897231	 0.133419
+H	 2.2646906415	 5.7237116195	-1.2206958438	 0.140266
+H	 1.9385486384	 4.2301083816	-2.1263839422	 0.132482
+H	 3.2757934302	 5.8661650947	 2.4825328086	 0.113257
+19
+0 4598	3.3892869	0.5951173	0.5315012	4.0585	82.71	-0.24328	-0.02362	0.21966	2069.9625	0.152977	-422.536107	-422.524949	-422.524004	-422.575691	37.198
+C	 0.0549779623	-0.172074013	 0.346828846	-0.366106
+C	 1.3923238564	 0.0237474616	-0.3901785698	-0.318511
+C	 1.9551704052	 1.3591239695	-0.220134555	 0.132416
+C	 2.4100341457	 2.4669661407	-0.083515429	 0.00479
+C	 2.9560945083	 3.8055783112	 0.1353938309	-0.075902
+O	 4.0796281079	 3.7938934076	 1.0164682736	-0.417464
+C	 1.8630910234	 4.7755372257	 0.6451908184	-0.275805
+C	 2.3756510487	 6.1932305273	 0.8016986284	 0.147226
+O	 1.760656166	 7.1728354291	 0.4641921021	-0.242717
+H	 0.17645244	-0.0166947074	 1.4222669339	 0.127148
+H	-0.6953399637	 0.5364471653	-0.0140220023	 0.131274
+H	-0.3225323248	-1.1859497621	 0.1857895515	 0.119296
+H	 2.1196574844	-0.719593696	-0.0395843252	 0.134757
+H	 1.2557698499	-0.1734744559	-1.461079106	 0.136495
+H	 3.3517727361	 4.1933065004	-0.8120187792	 0.126585
+H	 3.8671454075	 3.1997620542	 1.7448745688	 0.285943
+H	 0.9941422597	 4.7793532546	-0.0179707344	 0.131169
+H	 1.5319107877	 4.4218696124	 1.6318971242	 0.121684
+H	 3.3808349191	 6.2707502847	 1.2670875732	 0.097722
+19
+0 4599	2.7554239	0.6960853	0.6069148	3.2333	82.77	-0.24189	-0.02528	0.21661	1880.0377	0.153446	-422.536233	-422.525128	-422.524184	-422.57479	37.056
+C	 0.3696309476	-0.2366947363	-0.7151079736	-0.366329
+C	 1.2056788749	 0.091646503	 0.53547486	-0.315919
+C	 1.8368786235	 1.4058121113	 0.4723600447	 0.102559
+C	 2.3497345227	 2.4952154643	 0.4179703582	 0.019194
+C	 2.9561906014	 3.8158341738	 0.3024971675	-0.277639
+C	 4.1743532379	 3.7902791721	-0.6548392027	-0.070907
+O	 4.7086662083	 5.0780463012	-0.8758044374	-0.405937
+C	 1.9175387767	 4.8105058058	-0.2282344011	 0.189276
+O	 1.5594544489	 5.7924713818	 0.3607159006	-0.243904
+H	-0.0824585108	-1.2281038993	-0.6195871076	 0.118301
+H	-0.430717125	 0.4955928862	-0.8508202933	 0.131212
+H	 0.9926191625	-0.2269462085	-1.6135180725	 0.12862
+H	 0.5687335226	 0.0392902817	 1.4275820942	 0.134682
+H	 1.9792242479	-0.6749048509	 0.6719238892	 0.132312
+H	 3.2742419985	 4.1850727704	 1.2861693008	 0.11158
+H	 4.918882657	 3.084011604	-0.2618079524	 0.10982
+H	 3.8557627907	 3.4201567989	-1.6343454484	 0.12636
+H	 5.0271038216	 5.4260449478	-0.0362468118	 0.291171
+H	 1.5093322832	 4.5362124828	-1.2263791245	 0.085548
+19
+0 4600	2.8138473	0.7046415	0.6013747	1.8844	84.41	-0.24011	-0.03648	0.20362999999999998	1907.1929	0.152598	-422.51639	-422.505191	-422.504247	-422.555205	36.828
+C	-0.0677557221	-0.0611976408	 0.077153507	-0.367076
+C	 1.447394967	-0.0066382293	-0.1912106311	-0.320176
+C	 1.9904525915	 1.3456106864	-0.1376514822	 0.172953
+C	 2.410885368	 2.4725641571	-0.0660875705	-0.026794
+C	 2.9455742245	 3.8269837111	-0.0770748737	-0.12176
+O	 3.9237179155	 3.964987906	 0.9419972029	-0.242171
+C	 4.2658807173	 5.3154469507	 1.2026691898	-0.239386
+C	 3.6011846634	 4.0678521195	-1.4520544172	 0.146904
+O	 3.182460054	 4.8260884921	-2.2833281047	-0.235455
+H	-0.3009752491	 0.3352400894	 1.0688323502	 0.132045
+H	-0.6145858676	 0.5310408043	-0.6612160223	 0.132194
+H	-0.4246828931	-1.0937658437	 0.0246114389	 0.118533
+H	 1.9758767992	-0.6312261298	 0.5400676526	 0.138069
+H	 1.6650271182	-0.4439268783	-1.1739797256	 0.135533
+H	 2.1393907216	 4.5673717934	 0.0427890232	 0.107882
+H	 5.0130824994	 5.3006906258	 1.998499582	 0.136237
+H	 4.693153878	 5.8184350603	 0.3233567396	 0.120588
+H	 3.3920496534	 5.8925005464	 1.5393592314	 0.116474
+H	 4.5265796608	 3.4671713894	-1.5922070805	 0.095406
+19
+0 4601	2.8798808	0.6783107	0.573611	2.3002	82.72	-0.24916	-0.03195	0.21721	1918.9287	0.153309	-422.532769	-422.521598	-422.520654	-422.571773	37.07
+C	-1.648208676	-4.7240364176	-1.7679882219	-0.395418
+C	-0.7799159761	-3.48798025	-1.5244878006	-0.184448
+C	-1.5910968405	-2.2628983196	-1.0118310415	-0.240259
+C	-2.5261549617	-1.7793218895	-2.1244740434	 0.172511
+O	-3.7145003878	-1.9528919617	-2.1360033922	-0.245338
+C	-0.7156299431	-1.1662210902	-0.6151290577	-0.004158
+C	-0.0031637214	-0.2327586647	-0.3416307064	 0.115507
+C	 0.8993459532	 0.8570394534	 0.0310282125	-0.195357
+O	 2.2632502971	 0.5921320782	-0.2640439674	-0.39944
+H	-2.1342773761	-5.0526696742	-0.8434326983	 0.124917
+H	-2.4362435909	-4.5300146235	-2.5016995051	 0.136469
+H	-1.0386581179	-5.5526231418	-2.1397497235	 0.119584
+H	-0.0052042565	-3.706320015	-0.7827193346	 0.116142
+H	-0.2528957706	-3.1984948192	-2.4417281699	 0.115272
+H	-2.2245679954	-2.5771736748	-0.1739483074	 0.12057
+H	-1.997498612	-1.2593628136	-2.9546996097	 0.09066
+H	 0.644579416	 1.7625736441	-0.5306327471	 0.143956
+H	 0.7569149108	 1.0963271513	 1.0970057372	 0.121288
+H	 2.4904045088	-0.2470477716	 0.1498653168	 0.287543
+19
+0 4602	3.5171249	0.6735271	0.6620192	3.0535	83.09	-0.23814	0.03117	0.26931	1774.0701	0.153889	-422.507566	-422.49686	-422.495916	-422.544678	37.464
+C	 4.4308809044	-0.7336044963	-1.3742405428	-0.456367
+C	 3.960502732	-0.0791924282	-0.083557122	 0.121513
+C	 4.8027264533	-0.2830119627	 1.1816103742	-0.357209
+C	 4.7861397547	 1.0560851671	 0.5038093458	 0.087192
+O	 5.8909055727	 1.4765341165	-0.2371895736	-0.422033
+C	 2.5343736937	 0.0025537162	 0.0893097033	-0.025094
+C	 1.3347807361	 0.0472035674	 0.2121974865	 0.102793
+C	-0.1139542504	 0.167850945	 0.3597045921	-0.192499
+O	-0.7007778482	 1.1252051405	-0.5135952224	-0.403605
+H	 4.1280550862	-1.7844746838	-1.4023498565	 0.122296
+H	 3.9919390301	-0.2305265476	-2.2407337841	 0.129911
+H	 5.516802665	-0.6717352476	-1.4610789091	 0.128431
+H	 4.288615827	-0.3999582869	 2.128229179	 0.122164
+H	 5.6970221665	-0.8853292081	 1.0589284215	 0.118507
+H	 4.2239992976	 1.8559389777	 0.9836845749	 0.095939
+H	 6.6152969639	 1.6409044014	 0.3755911339	 0.291179
+H	-0.6002974391	-0.7853520267	 0.1228616856	 0.137568
+H	-0.3533286314	 0.3900887927	 1.4126147341	 0.113784
+H	-0.1783626039	 1.9310498632	-0.4450844503	 0.285531
+19
+0 4603	3.4842694	0.6836537	0.6621835	1.7175	83.66	-0.23606	0.02784	0.26389999999999997	1784.2525	0.154007	-422.506972	-422.496403	-422.495458	-422.543524	37.308
+C	 5.9501183391	 0.5238087911	 1.5505015351	-0.416448
+C	 4.6859816461	-0.2404310798	 1.2343180116	-0.050306
+C	 4.6861665288	-1.3489866682	 0.2119457402	-0.322735
+C	 3.9929565212	-0.0493434961	-0.1186137731	 0.201373
+O	 4.6584689307	 0.7108366801	-1.0963506305	-0.450285
+C	 2.5571317798	 0.0200530289	-0.1543027167	 0.042752
+C	 1.3560931107	 0.1305976641	-0.2004089182	 0.049887
+C	-0.0985668686	 0.2631963024	-0.2053731005	-0.197935
+O	-0.5806901277	 1.3492727182	 0.5761646471	-0.40215
+H	 6.584141003	-0.0416228602	 2.2418584678	 0.120206
+H	 6.5232925787	 0.718034886	 0.6410258341	 0.134289
+H	 5.7241863586	 1.4875653416	 2.0203566724	 0.11523
+H	 4.0047180602	-0.3766298296	 2.0693324361	 0.092092
+H	 5.6066786166	-1.5203778733	-0.3362892694	 0.128739
+H	 4.0750577342	-2.2278331894	 0.3777188655	 0.122418
+H	 4.3680311148	 1.6252345006	-1.0012065367	 0.286283
+H	-0.4550354039	 0.4510015336	-1.224349027	 0.142375
+H	-0.5482768452	-0.6907969268	 0.1144821933	 0.11885
+H	-0.183200257	 1.2719344467	 1.4496935089	 0.285366
+19
+0 4604	2.6441781	0.8611963	0.7097717	1.2635	81.99	-0.24877	0.01939	0.26816	1629.4548	0.153248	-422.508743	-422.498005	-422.497061	-422.547221	37.079
+C	 3.8805374572	 0.5288354377	 2.6362796656	-0.431695
+C	 4.6086478276	 0.2703999339	 1.3449616209	 0.045474
+O	 4.4749454419	-1.0280781759	 0.7622435627	-0.286249
+C	 3.9349504693	 0.0969605538	 0.0349118515	 0.183816
+C	 4.6636426823	 0.4376388716	-1.2496301448	-0.472365
+C	 2.4924552599	 0.1460410181	-0.045764061	 0.003606
+C	 1.2934369369	 0.2068765029	-0.1551923467	 0.129073
+C	-0.1678006889	 0.2148037744	-0.2327247708	-0.201343
+O	-0.7963753359	-0.1724868946	 0.9805538825	-0.399687
+H	 2.8415867687	 0.1991604207	 2.5735296019	 0.13916
+H	 4.3701964863	-0.0034390198	 3.4583300104	 0.12912
+H	 3.894467124	 1.5983580434	 2.8715782283	 0.123835
+H	 5.6277482458	 0.662275482	 1.3013033248	 0.087328
+H	 4.3825954486	-0.261714929	-2.0425090262	 0.135879
+H	 4.4084707146	 1.4486194266	-1.5814525222	 0.130728
+H	 5.7436307592	 0.3741766556	-1.0959610709	 0.128997
+H	-0.5271541423	 1.2279720695	-0.4450140909	 0.142485
+H	-0.4917371842	-0.4186590188	-1.0739605006	 0.121251
+H	-0.4312423609	-1.0269284721	 1.2337046555	 0.290588
+19
+0 4605	4.197358	0.6606657	0.6494132	2.4367	83.77	-0.22328	0.02812	0.2514	1819.2451	0.15402	-422.509313	-422.498961	-422.498017	-422.545737	37.08
+C	-6.4942306475	-0.5363433024	 2.1177630885	-0.363343
+C	-5.447466912	-1.0815683006	 1.1287908881	-0.320453
+C	-4.1147917891	-0.523252757	 1.329377786	 0.1025
+C	-3.0268754764	-0.036878046	 1.5194611743	 0.011876
+C	-1.7120511506	 0.4941755012	 1.724231758	 0.153762
+O	-0.9115041414	-0.176015315	 2.6824590431	-0.465677
+C	-1.4313867752	 1.9841914858	 1.6661981402	-0.360883
+C	-0.8986452459	 1.0891313221	 0.576141814	 0.092225
+O	 0.4513866162	 0.7718879063	 0.5166103269	-0.431645
+H	-6.207742064	-0.760520034	 3.1486767106	 0.130044
+H	-6.5891142595	 0.5486404412	 2.0230553516	 0.129312
+H	-7.4723114897	-0.9869730724	 1.9245715876	 0.115424
+H	-5.3958718663	-2.1748452636	 1.2131842799	 0.131147
+H	-5.7712887995	-0.8782636487	 0.0997919591	 0.132885
+H	-1.00545635	-1.1213950453	 2.5151341255	 0.291667
+H	-2.2639087787	 2.6443115887	 1.4531094994	 0.125157
+H	-0.716203008	 2.3492581827	 2.3960369475	 0.128573
+H	-1.3522681065	 1.1367743993	-0.4078627564	 0.112733
+H	 0.6578435241	 0.3416963876	 1.3595313159	 0.284696
+19
+0 4606	3.196167	0.7890017	0.7076363	1.306	81.36	-0.24842	0.02595	0.27437	1649.4877	0.154717	-422.503772	-422.493595	-422.49265	-422.540614	35.32
+C	 4.5149434499	-1.0236060967	-1.0765536803	-0.429435
+C	 3.9557392913	-0.0023882297	-0.089922956	 0.219313
+C	 4.633868479	 1.402791754	-0.0982672747	-0.320178
+C	 5.0665144811	 1.0559415193	 1.3365267645	-0.065805
+O	 4.4624356814	-0.2517317509	 1.2581817769	-0.304709
+C	 2.4964520029	 0.0219126571	-0.1212358668	 0.086789
+C	 1.2918169495	 0.0421977669	-0.165644899	 0.034242
+C	-0.1697496196	 0.0850769407	-0.1519969083	-0.196416
+O	-0.7000678013	 1.2360253801	 0.4905748136	-0.401337
+H	 4.1546313521	-2.0248693172	-0.825694303	 0.135585
+H	 4.1977298064	-0.7852070022	-2.0964026855	 0.126154
+H	 5.6075571386	-1.0227186078	-1.0317326761	 0.118298
+H	 5.4438324737	 1.4936581116	-0.8237571449	 0.113484
+H	 3.9512483681	 2.2452884181	-0.202705601	 0.122887
+H	 6.1460602094	 0.9955490559	 1.5162185911	 0.104731
+H	 4.6103205754	 1.6687794003	 2.1234043466	 0.105452
+H	-0.5538453347	 0.1135015574	-1.1778716337	 0.141074
+H	-0.5537695913	-0.8418934779	 0.3033442383	 0.121453
+H	-0.2988837919	 1.2864528809	 1.3645375082	 0.288419
+19
+0 4607	3.897914	0.7042705	0.6592216	1.3016	81.14	-0.25322	0.02721	0.28043	1728.1421	0.155056	-422.499727	-422.489597	-422.488653	-422.536541	35.083
+C	 4.4747172271	 1.3583402635	-0.6135109878	-0.449571
+C	 3.938896332	 0.0593662621	 0.0030993973	 0.096106
+C	 4.6019213251	-1.2171752048	-0.6008998448	-0.103769
+O	 5.4642416013	-1.359614786	 0.5416777482	-0.26896
+C	 4.72170126	-0.3743574823	 1.2807909964	-0.103886
+C	 2.4897423546	 0.0616564896	 0.0914098875	-0.005084
+C	 1.2853932968	 0.0540047633	 0.1527202716	 0.078569
+C	-0.1740811764	 0.099999903	 0.2406194897	-0.195837
+O	-0.7437129191	 1.2557517194	-0.3585799274	-0.400722
+H	 4.1846977143	 2.2232706191	-0.0095392162	 0.124493
+H	 5.5672411421	 1.3240144838	-0.6688268135	 0.128413
+H	 4.078723771	 1.5002057484	-1.6232723033	 0.130266
+H	 3.9155065292	-2.0654669971	-0.7109879103	 0.106218
+H	 5.1626797589	-1.0724760587	-1.5313735468	 0.10706
+H	 4.0917413005	-0.8258895759	 2.0570358249	 0.10454
+H	 5.3704707562	 0.3872147705	 1.7286453087	 0.105857
+H	-0.6102278069	-0.7540925948	-0.2895161918	 0.141299
+H	-0.4775397888	 0.0044989514	 1.2957429635	 0.118165
+H	-0.2967790681	 2.0227248555	 0.0143355942	 0.286845
+19
+0 4608	3.3078505	0.7572297	0.7137161	0.7172	81.34	-0.24832	0.03484	0.28316	1687.5553	0.154471	-422.501447	-422.491276	-422.490331	-422.538442	35.295
+C	 3.9878523571	 1.9729723352	-1.715999837	-0.365564
+C	 3.3401818198	 0.5763521562	-1.7334613927	-0.317491
+C	 2.3355286652	 0.3954408343	-0.6912751107	 0.081486
+C	 1.4987442934	 0.2715384713	 0.1657653585	 0.099572
+C	 0.5323647571	 0.0922197439	 1.2357270643	 0.107305
+O	-0.7447795247	 0.4456958963	 0.751143161	-0.461427
+C	 0.6395733701	-1.2645580466	 2.003217825	-0.110907
+O	 1.1032715576	-0.6087895108	 3.1956943441	-0.268618
+C	 0.948849124	 0.6970566626	 2.6147350143	-0.111126
+H	 4.4863199785	 2.1584390059	-0.7607203428	 0.128129
+H	 4.7305910709	 2.0576542164	-2.5147007492	 0.116063
+H	 3.2345073036	 2.7518457052	-1.8606624147	 0.131713
+H	 2.8772577843	 0.3971116313	-2.7122193764	 0.134758
+H	 4.116891553	-0.1912803238	-1.6231199847	 0.131505
+H	-1.3760503675	 0.3263868846	 1.4698368097	 0.28332
+H	-0.3342264571	-1.7558239156	 2.1425258337	 0.094012
+H	 1.3626042598	-1.9878341996	 1.6138719453	 0.117092
+H	 0.1431752475	 1.2772368286	 3.0874331032	 0.093687
+H	 1.8766881772	 1.2770725447	 2.6324540792	 0.11649
+19
+0 4609	3.0839923	0.7849195	0.7230364	0.9417	81.24	-0.25177	0.02667	0.27844	1634.8283	0.155027	-422.511825	-422.501721	-422.500777	-422.548194	35.83
+O	 2.0729296659	-1.266577808	-2.9030081488	-0.400448
+C	 2.9239913069	-0.7533355692	-1.8874093431	-0.194422
+C	 2.2081778949	-0.2548126125	-0.7138905354	 0.002138
+C	 1.5980599295	 0.1307091783	 0.252908037	 0.045201
+C	 0.8515490499	 0.5730168262	 1.4262512672	 0.254528
+O	 1.0926539101	-0.2604915412	 2.5455919764	-0.463086
+C	 1.0495867858	 2.0802710827	 1.7621636706	-0.248953
+C	-0.2518950933	 2.4019829504	 0.9827840661	-0.209652
+C	-0.6463181111	 0.9061889481	 1.092546894	-0.266003
+H	 1.4882631915	-1.9110265538	-2.4908971244	 0.286135
+H	 3.6644526963	-1.503650867	-1.5661805662	 0.119612
+H	 3.4871562688	 0.0611920682	-2.3564846064	 0.143367
+H	 1.1288143806	-1.1722412033	 2.2373606124	 0.278175
+H	 0.9257134377	 2.2114884357	 2.8400641103	 0.1171
+H	 1.9834529348	 2.5445595028	 1.4425266012	 0.107597
+H	-0.9311483095	 3.1310376378	 1.4271812508	 0.103016
+H	-0.0480748117	 2.6948956673	-0.0496360827	 0.114408
+H	-1.2514868141	 0.7049273272	 1.9801720723	 0.11059
+H	-1.0914801429	 0.4194826905	 0.2228058088	 0.100695
+19
+0 4610	2.8339645	0.7975666	0.678477	1.9314	82.13	-0.24803	0.02735	0.27538	1649.2714	0.154289	-422.503288	-422.492856	-422.491912	-422.541541	35.992
+C	 5.9871639109	-2.61985756	-1.9896919613	-0.366154
+C	 4.4980502055	-2.8941289479	-2.2687739899	-0.321498
+C	 3.6286947811	-2.5485342648	-1.1501021361	 0.160199
+C	 2.9259365964	-2.2682362391	-0.2124712808	 0.020604
+C	 2.0654611203	-1.8934089968	 0.8812163836	 0.131713
+C	 0.854563407	-1.0399757795	 0.5400049053	-0.123402
+O	-0.0592999599	-1.73528489	-0.2804069962	-0.40887
+C	 2.5816121519	-1.8944958936	 2.2651304294	-0.20523
+O	 1.7389189574	-2.9515735665	 1.8214801993	-0.270901
+H	 6.3338327546	-3.1972391678	-1.1284287803	 0.129328
+H	 6.5936326419	-2.8963263964	-2.857123774	 0.116975
+H	 6.1542605783	-1.5607378535	-1.7757861991	 0.128215
+H	 4.1794343172	-2.3344300148	-3.1573338546	 0.134767
+H	 4.3586782156	-3.9543677267	-2.5159740281	 0.135712
+H	 0.3883454118	-0.7095411028	 1.4807767521	 0.089721
+H	 1.165650897	-0.1529007113	-0.0202090958	 0.1176
+H	-0.2840469018	-2.5508704765	 0.1822224295	 0.294522
+H	 3.6220075759	-2.1641681757	 2.4354742775	 0.122163
+H	 2.1449367589	-1.2168271763	 2.9984643995	 0.114537
+19
+0 4611	2.7325316	0.7973336	0.6750831	2.5465	81.74	-0.25618	0.01323	0.26941000000000004	1702.2764	0.154065	-422.500433	-422.489951	-422.489006	-422.53769	36.191
+C	 4.1759564028	-1.8491244812	 1.7876778526	-0.380448
+C	 4.4756710059	-0.3757841649	 1.4943759712	-0.262148
+C	 3.867216505	 0.0970915456	 0.1841325763	 0.210698
+C	 4.6135368547	 1.0277155604	-0.6898883164	-0.218336
+O	 4.5579516533	-0.359070144	-0.9998770674	-0.261107
+C	 2.4243461762	 0.0817859781	 0.10202898	 0.013804
+C	 1.2197446102	 0.0561350094	 0.0582949607	 0.118137
+C	-0.2419006659	 0.0777900594	 0.0136415875	-0.200158
+O	-0.783874532	 1.3495864384	-0.3129928492	-0.399482
+H	 4.6390353926	-2.1591017576	 2.7287724395	 0.11404
+H	 3.0986433481	-2.0234629384	 1.8652497533	 0.127094
+H	 4.5654911958	-2.4865464259	 0.9885421815	 0.134038
+H	 4.0953861611	 0.258156715	 2.3043359946	 0.10578
+H	 5.5577884727	-0.2171294439	 1.4383529214	 0.106831
+H	 4.0651414781	 1.6825739684	-1.3645818282	 0.122548
+H	 5.5810817189	 1.399987415	-0.3538064062	 0.114721
+H	-0.6002301572	-0.6070153389	-0.76297946	 0.146686
+H	-0.6388611221	-0.2947070427	 0.9715883522	 0.119807
+H	-0.4036951882	 1.9908018977	 0.2964504368	 0.287496
+19
+0 4612	2.7655052	0.8181237	0.7095441	1.7066	82.54	-0.24044	0.02793	0.26837	1645.5777	0.154077	-422.489528	-422.479122	-422.478178	-422.526192	36.289
+C	 4.210871706	 2.352188783	-0.6572038153	-0.252294
+O	 4.488305934	 0.9838023353	-0.9041132091	-0.264339
+C	 3.8494103274	 0.1082462412	-0.0192292446	 0.256626
+C	 4.6130178381	-1.1673691802	 0.2323141928	-0.311322
+C	 4.5298637959	-0.1313794227	 1.3225746709	-0.315979
+C	 2.4106544435	 0.0733994035	-0.090126142	 0.087357
+C	 1.2073339836	 0.0718557863	-0.1802722568	-0.013933
+C	-0.2525285521	 0.068573208	-0.2333649456	-0.196367
+O	-0.8604932049	 1.0823510103	 0.5567700914	-0.401812
+H	 4.5388110883	 2.6547769454	 0.3476101716	 0.105192
+H	 4.7669784271	 2.9233603668	-1.4034917322	 0.127617
+H	 3.1399629181	 2.5702530127	-0.7582127487	 0.124816
+H	 4.0445212869	-2.0834341918	 0.3357279104	 0.126456
+H	 5.548795745	-1.2559728338	-0.3069951963	 0.132866
+H	 3.9068655554	-0.3294561937	 2.1866425189	 0.122005
+H	 5.4146604176	 0.4654304232	 1.5129194979	 0.125909
+H	-0.590989204	 0.250018032	-1.2595866257	 0.142798
+H	-0.6198795228	-0.9320550505	 0.0468829922	 0.118628
+H	-0.4828500231	 1.022152545	 1.4404004301	 0.285776
+19
+0 4613	2.5470154	0.8229501	0.6990813	2.1829	82.16	-0.24369	0.03137	0.27505999999999997	1661.6961	0.154976	-422.50634	-422.495943	-422.494998	-422.543193	36.419
+O	 4.1020804776	-3.4609041176	-3.3955731229	-0.403837
+C	 4.6139377613	-2.5110018006	-2.4689556247	-0.195182
+C	 3.772683207	-2.3316025893	-1.2877205275	 0.085498
+C	 3.0273806835	-2.1887005275	-0.3502419182	 0.003786
+C	 2.1463488052	-2.0018670282	 0.7712534581	 0.104127
+C	 1.0407663296	-0.9721279319	 0.5809472711	-0.118112
+O	 0.1627562872	-1.2888153708	-0.4814050613	-0.409168
+C	 2.728449598	-2.1568564512	 2.1685414337	-0.294703
+C	 1.8200708088	-3.2217072951	 1.6316766711	-0.296509
+H	 3.1849725787	-3.222928002	-3.5678696199	 0.287589
+H	 5.6022273476	-2.8844199283	-2.1774677081	 0.136565
+H	 4.7759767949	-1.5326872033	-2.9497340635	 0.117642
+H	 0.4994764423	-0.8582623407	 1.5346357844	 0.080747
+H	 1.4743500496	 0.0003337517	 0.3274504713	 0.118728
+H	-0.1661163448	-2.1815731909	-0.3307587134	 0.282488
+H	 3.7874237275	-2.371872341	 2.2399794194	 0.131115
+H	 2.3466540519	-1.4936832588	 2.937672452	 0.12076
+H	 2.2551397609	-4.1687540753	 1.3371708797	 0.13295
+H	 0.8154438433	-3.2889786291	 2.0379587588	 0.115515
+19
+0 4614	4.010903	0.6109433	0.5525592	3.3548	84.33	-0.2372	0.03184	0.26904	1988.4941	0.154282	-422.506256	-422.495598	-422.494654	-422.543486	37.029
+C	 5.8457539811	-1.2365652707	 1.3495051626	-0.421476
+C	 4.6660128699	-0.2922564089	 1.3535331476	-0.048229
+C	 4.7235782209	 1.0257241134	 0.6290679816	 0.08607
+O	 5.8403821606	 1.3533887733	-0.1424111283	-0.4177
+C	 3.8592021704	-0.0828341442	 0.06551902	-0.249904
+C	 2.430958914	 0.0060745172	 0.0963393631	 0.021126
+C	 1.2259067108	 0.0631352589	 0.1243747465	 0.109302
+C	-0.2284328743	 0.1992886095	 0.1430396442	-0.189441
+O	-0.7346548526	 1.072785997	-0.8593039133	-0.40401
+H	 6.5091603781	-1.0384060566	 2.1994064463	 0.115089
+H	 5.5180668459	-2.2784023489	 1.4218761224	 0.126982
+H	 6.4313603467	-1.1245143448	 0.4335742679	 0.132428
+H	 4.0691414303	-0.2925252239	 2.2610442067	 0.096581
+H	 4.2004272329	 1.8722891467	 1.0717531882	 0.096119
+H	 6.5461828572	 1.6266502614	 0.4539381466	 0.291268
+H	 4.2894958664	-0.5570916457	-0.8128622871	 0.11983
+H	-0.7040145891	-0.7705967252	-0.0426602499	 0.137115
+H	-0.5486928334	 0.5191926783	 1.1483301418	 0.113341
+H	-0.2056007856	 1.8766634934	-0.829692507	 0.28551
+19
+0 4615	3.6895032	0.7027153	0.6264076	2.8966	83.64	-0.2307	0.04066	0.27136	1747.6471	0.153789	-422.510026	-422.499362	-422.498418	-422.547463	37.229
+C	 0.0192463584	-3.2782799521	 5.2336536125	-0.364687
+C	-1.3380931856	-2.6337773485	 4.8975598722	-0.318043
+C	-1.2749538987	-1.694038407	 3.7821823113	 0.137056
+C	-1.2334193256	-0.9397696296	 2.8391148009	 0.000401
+C	-1.1235801036	 0.0002220191	 1.7669451251	-0.319895
+C	-0.2058142025	 1.2111463575	 1.9771822443	 0.112653
+O	 0.483415518	 1.347535424	 3.1737387907	-0.427941
+C	-1.679579433	 1.4263059318	 1.9260130684	 0.04865
+O	-2.1766036863	 2.0724507161	 0.7988987562	-0.415673
+H	-0.086539659	-3.9754667597	 6.070077511	 0.116876
+H	 0.4123748619	-3.8273388791	 4.3738825108	 0.130334
+H	 0.7537082804	-2.5172668112	 5.5118686627	 0.12566
+H	-2.0680562361	-3.4190812613	 4.6621424613	 0.132866
+H	-1.7295757556	-2.1187082044	 5.7843125206	 0.131505
+H	-1.1521923445	-0.3933881856	 0.7551547345	 0.114601
+H	 0.3565776169	 1.5364311324	 1.1053916085	 0.113452
+H	 0.4131688378	 0.5085166555	 3.6492567018	 0.287576
+H	-2.1691323597	 1.6423260088	 2.8748713949	 0.104109
+H	-3.0555066732	 1.7237557936	 0.6139457323	 0.2905
+19
+0 4616	3.4842648	0.684445	0.6344553	1.4314	81.98	-0.24947	0.02317	0.27264	1814.0529	0.155059	-422.503279	-422.493226	-422.492282	-422.540365	34.875
+C	 4.9086942124	 3.0902209391	-0.8041721682	-0.396476
+C	 5.1212706428	 1.6170564763	-0.5264678296	 0.175181
+C	 4.3937869569	 0.5849831154	-1.4140866374	-0.311403
+C	 3.8063749811	 0.057084618	-0.0783136725	-0.038244
+O	 4.3971625883	 1.165870399	 0.6488003119	-0.302415
+C	 2.3639271513	-0.0319381755	 0.0529067675	 0.060444
+C	 1.1661085916	-0.1271866675	 0.1511727505	 0.0803
+C	-0.2891215283	-0.1771054605	 0.2792786311	-0.195586
+O	-0.9651299749	 0.8048373656	-0.4934793636	-0.401119
+H	 5.2854880451	 3.6941202474	 0.0273319784	 0.129112
+H	 5.4423538047	 3.389233719	-1.7132011117	 0.116681
+H	 3.8442908245	 3.3085260551	-0.9333489224	 0.121148
+H	 6.1933957587	 1.4021940152	-0.4133976814	 0.074485
+H	 3.6433244587	 1.0209794033	-2.0752815594	 0.11988
+H	 5.0139351464	-0.1169634868	-1.9722606753	 0.11338
+H	 4.2601902839	-0.8923535227	 0.2391270518	 0.101547
+H	-0.6629181927	-1.1443110274	-0.0749679559	 0.14228
+H	-0.5590194014	-0.1057655582	 1.3451938942	 0.122503
+H	-0.5833796189	 1.6596973253	-0.2682359478	 0.288303
+19
+0 4617	6.1271055	0.5333428	0.5309505	1.0413	82.39	-0.24621	0.03043	0.27664	2069.5657	0.155632	-422.511528	-422.501533	-422.500589	-422.54843	35.272
+O	-6.4626782875	-2.3625286928	 0.3917116415	-0.402472
+C	-5.2016466774	-2.3767312701	-0.2650176198	-0.192124
+C	-4.2593883496	-1.3880280496	 0.2572167414	 0.104688
+C	-3.5027439506	-0.5820645057	 0.7397554939	 0.016358
+C	-2.5750631743	 0.3839247898	 1.2888907616	-0.163926
+C	-1.736346248	 1.270628573	 0.3102755078	-0.26934
+C	-0.549397372	 1.1418564382	 1.3007272757	 0.163584
+O	 0.7658158516	 1.072974074	 0.8208941382	-0.430984
+C	-1.2271154811	-0.1154607715	 1.9055491994	-0.270838
+H	-6.292016586	-2.4027401027	 1.3384540622	 0.286343
+H	-4.7413991256	-3.3773950245	-0.2224222948	 0.114695
+H	-5.4159945354	-2.1751926067	-1.32075241	 0.138155
+H	-3.093970419	 1.0249320621	 2.0098755609	 0.105822
+H	-1.5307916627	 0.7251971379	-0.6164534435	 0.103938
+H	-2.1144456572	 2.264815658	 0.0650043765	 0.110677
+H	-0.5548537212	 1.967432326	 2.0193444226	 0.096492
+H	 0.8141363673	 0.3537401995	 0.1820056521	 0.277555
+H	-0.8888047565	-1.0232209001	 1.395341793	 0.102813
+H	-1.1805098947	-0.2722492847	 2.9849459313	 0.108564
+19
+0 4618	3.8739567	0.6940033	0.6388769	1.2314	82.97	-0.25322	0.01489	0.26811	1736.9467	0.153187	-422.50872	-422.498029	-422.497085	-422.546091	37.074
+C	 3.967015434	 0.1927894733	 2.5718956411	-0.454886
+C	 4.6949885576	 0.0119907698	 1.2596930803	 0.410717
+C	 6.0961517633	 0.5808007197	 1.1980275693	-0.452394
+O	 4.5430973802	-1.2744419897	 0.6491425885	-0.279724
+C	 3.9356262867	-0.1446444895	-0.0082924066	-0.239835
+C	 2.5014135269	-0.0964117227	-0.0836806867	 0.043178
+C	 1.3024230442	-0.0322303336	-0.1961649705	 0.148821
+C	-0.1562839997	 0.0303775147	-0.2762523783	-0.201665
+O	-0.7500062755	 0.8396856913	 0.7289883503	-0.399697
+H	 2.9647051189	-0.2353097909	 2.5232828667	 0.130684
+H	 4.5198544412	-0.3021754687	 3.3774526048	 0.125982
+H	 3.8839608505	 1.2551460453	 2.8241317545	 0.123577
+H	 6.723665988	 0.1227295738	 1.9702976507	 0.128276
+H	 6.5548288657	 0.3847643152	 0.2259399723	 0.129058
+H	 6.0859107355	 1.6618916886	 1.3714519563	 0.125001
+H	 4.445385397	 0.1492208254	-0.9265134152	 0.107312
+H	-0.4588250242	 0.4732764629	-1.2316096376	 0.144042
+H	-0.5614041715	-0.9941174149	-0.2602134	 0.123743
+H	-0.4318141288	 0.5220839301	 1.5804544702	 0.287811
+19
+0 4619	3.7982197	0.7029619	0.6619765	1.1578	83.75	-0.23992	0.02118	0.2611	1748.1298	0.153609	-422.512289	-422.501671	-422.500727	-422.548919	37.467
+C	 5.9429123476	 0.7739928542	 1.302407947	-0.43099
+C	 4.680680652	-0.0478658077	 1.2351167814	 0.434142
+O	 3.9182989502	 0.096632333	 2.3956554301	-0.468116
+C	 4.6707866647	-1.3701257812	 0.5272076887	-0.335087
+C	 3.9378935084	-0.1732134352	-0.0987276894	-0.284435
+C	 2.5088514338	-0.1305597161	-0.0723700107	 0.008291
+C	 1.3037724772	-0.0759305586	 0.0055377372	 0.112268
+C	-0.1535378956	 0.0149847138	 0.0884214543	-0.194047
+O	-0.6412531846	 1.3444294087	 0.2051472329	-0.40003
+H	 6.5419865548	 0.468858011	 2.1665478296	 0.131428
+H	 6.5488642904	 0.6422921314	 0.4017700706	 0.114839
+H	 5.7033839845	 1.8358352845	 1.4137140057	 0.127044
+H	 2.9853576412	 0.0713989277	 2.1435466789	 0.278674
+H	 5.5683455989	-1.7124850158	 0.0235516485	 0.118427
+H	 4.0498697916	-2.1524379933	 0.9477967821	 0.125191
+H	 4.4096730413	 0.2848891798	-0.9630108339	 0.113841
+H	-0.6049779309	-0.3860031513	-0.8260740382	 0.143874
+H	-0.5090236274	-0.6176808469	 0.9177811208	 0.11856
+H	-0.1661122382	 1.7649475819	 0.9293661544	 0.286124
+19
+0 4620	4.7879154	0.5540892	0.5155385	2.4173	83.84	-0.24852	0.0235	0.27202	2154.7032	0.154366	-422.501115	-422.490611	-422.489667	-422.539092	35.887
+C	-2.9338989373	 0.7123802579	 6.872179399	-0.365489
+C	-1.9347719728	-0.3238943113	 6.3251303612	-0.319637
+C	-1.630493384	-0.1370662555	 4.9111299932	 0.154142
+C	-1.3985742769	 0.0303379805	 3.7403590888	 0.043087
+C	-1.1001790171	 0.2492984148	 2.352408553	-0.180044
+O	-2.1207411965	-0.0711535207	 1.3848542436	-0.23781
+C	-0.9419729765	-0.8665982772	 1.3910935697	 0.040939
+C	-0.0348163232	-0.7439876144	 0.1869819856	-0.100832
+O	 1.2310982144	-1.3359481987	 0.4201176145	-0.408413
+H	-3.1276733013	 0.5292111036	 7.9331109929	 0.116771
+H	-2.5409757256	 1.7266819659	 6.7628171498	 0.129447
+H	-3.8831457314	 0.6581729075	 6.3328766315	 0.133818
+H	-1.0022743739	-0.2771221902	 6.9023160143	 0.132616
+H	-2.3320006601	-1.3354583713	 6.4776194542	 0.134924
+H	-0.574101274	 1.1777878466	 2.1258614215	 0.109383
+H	-1.0724886275	-1.878964866	 1.7746879795	 0.1081
+H	-0.471611878	-1.2877478365	-0.6574227836	 0.123478
+H	 0.0395966748	 0.3141968504	-0.1068475491	 0.09849
+H	 1.6486305671	-0.8627048952	 1.1474486404	 0.287032
+19
+0 4621	5.0081139	0.5370021	0.5134725	1.2154	83.99	-0.25478	0.01686	0.27164	2171.8091	0.154276	-422.499592	-422.489064	-422.48812	-422.537149	35.886
+C	 7.0113694056	 1.7426545065	 1.423362536	-0.3769
+C	 6.0951935947	 1.4365599354	 0.2322747409	-0.215486
+C	 4.715440056	 1.0150233377	 0.6742310793	 0.092454
+O	 4.5785551807	-0.3070861101	 1.1935936495	-0.244587
+C	 3.9261341764	-0.0004111048	-0.0547893068	-0.180043
+C	 2.489528771	 0.0148760912	-0.0734735348	 0.026412
+C	 1.2850406479	 0.0141943748	-0.1246123483	 0.148231
+C	-0.1765281942	 0.0472093122	-0.1321092594	-0.199993
+O	-0.7201128092	 1.334940918	 0.1206731284	-0.399912
+H	 7.1118256262	 0.8636658724	 2.0668600164	 0.13617
+H	 8.0097622965	 2.0346224926	 1.0855216592	 0.117148
+H	 6.61130862	 2.5610453198	 2.0316701086	 0.117778
+H	 6.001615505	 2.3212384809	-0.4103840015	 0.10674
+H	 6.5299260162	 0.6384063696	-0.3798300882	 0.106894
+H	 4.1493767327	 1.7628626992	 1.2333566991	 0.095189
+H	 4.3970130781	-0.4694796088	-0.9186603454	 0.113864
+H	-0.5513989355	-0.2460183374	-1.1189825215	 0.14388
+H	-0.5565219245	-0.6982899088	 0.5847158	 0.123798
+H	-0.3359568236	 1.6532542295	 0.9442799485	 0.288361
+19
+0 4622	6.367292	0.52193	0.5071356	1.865	84.73	-0.2412	0.03051	0.27171	2167.7795	0.154293	-422.488706	-422.478184	-422.477239	-422.52618	35.948
+C	 6.7990469942	-1.158604174	-1.8811041078	-0.233773
+O	 5.8554271941	-1.1413088582	-0.826238904	-0.239643
+C	 4.6883619264	-0.4665847706	-1.157243999	 0.134124
+C	 4.6322569202	 1.0253418775	-1.0056451266	-0.311521
+C	 3.9250249102	 0.1173275717	 0.0067449726	-0.239489
+C	 2.4952723352	 0.0471776894	 0.0473837689	 0.037468
+C	 1.290737192	-0.0183519767	 0.0663894178	 0.082169
+C	-0.1686217652	-0.0467040023	 0.1285139269	-0.19197
+O	-0.7712324021	 1.2383458074	 0.0303908732	-0.403739
+H	 6.4024688701	-1.6719154863	-2.7697050628	 0.110196
+H	 7.1001942984	-0.1424639666	-2.172936435	 0.110846
+H	 7.6736714132	-1.7031013085	-1.5187103617	 0.130949
+H	 4.104567732	-0.9189424446	-1.9593454011	 0.10086
+H	 5.5278871188	 1.5232281093	-0.6518987946	 0.123852
+H	 4.0116831005	 1.5972925608	-1.6850820779	 0.127788
+H	 4.4383164921	 0.0141229162	 0.9582848044	 0.122141
+H	-0.5730336726	-0.6268729438	-0.7087406588	 0.137288
+H	-0.4813349269	-0.5643236536	 1.049939298	 0.116787
+H	-0.3293388607	 1.808882493	 0.6678359575	 0.285668
+19
+0 4623	4.1769818	0.5707167	0.5223099	2.8112	83.74	-0.24063	0.03015	0.27078	2075.6933	0.155018	-422.504259	-422.493708	-422.492764	-422.541881	36.225
+O	-0.1366345004	-6.0905972587	-5.1652444711	-0.403544
+C	 0.7048724027	-5.7361159462	-4.0742063359	-0.189788
+C	 0.353707577	-4.4635027154	-3.4486063195	 0.090179
+C	 0.0136121809	-3.4247876161	-2.9373838158	 0.024934
+C	-0.3705418472	-2.1818068243	-2.3377148001	-0.184734
+C	-1.6566581174	-2.0829739346	-1.5282200746	-0.289243
+C	-0.3322481921	-2.0125051122	-0.8261106733	-0.034707
+C	 0.160417186	-0.7056988241	-0.2500106833	-0.07094
+O	 1.5682325111	-0.5471408987	-0.3236632415	-0.413722
+H	-1.04645303	-5.9775026726	-4.87136641	 0.284968
+H	 0.7141560505	-6.5266892994	-3.3059270789	 0.113453
+H	 1.7191265465	-5.6889068232	-4.4867534604	 0.138464
+H	-0.1006495386	-1.2935222421	-2.9024561628	 0.118758
+H	-2.2335757136	-1.1697323353	-1.6306154868	 0.119344
+H	-2.2484181129	-2.9840444912	-1.4218331697	 0.122653
+H	-0.0418880243	-2.9004527303	-0.2696957788	 0.09294
+H	-0.259045807	 0.1299536808	-0.8213139215	 0.107561
+H	-0.2005548739	-0.5999840878	 0.7859776101	 0.090667
+H	 1.9749225025	-1.2729777786	 0.1602382638	 0.282756
+19
+0 4624	3.3676706	0.6849455	0.6392707	1.5047	82.18	-0.24885	0.02134	0.27019	1815.4948	0.155096	-422.498845	-422.488691	-422.487747	-422.535893	34.84
+C	 5.4664258035	 0.1597913358	-2.0313352563	-0.41472
+C	 4.618082155	 0.8987399259	-1.0112773284	-0.031368
+C	 5.3125461102	 1.6002854422	 0.1750126303	-0.079993
+O	 4.4825699951	 0.910923983	 1.1339517916	-0.285941
+C	 3.9164491401	 0.0618194903	 0.1011575346	-0.049455
+C	 2.4676945589	 0.0028557775	 0.1103300329	 0.037763
+C	 1.2634781946	-0.0561846638	 0.0958943938	 0.100235
+C	-0.1980903054	-0.0648079755	 0.1034740901	-0.196453
+O	-0.7791944829	 1.1053631172	-0.4544145034	-0.401075
+H	 6.1864315996	-0.5052723656	-1.5417689332	 0.120334
+H	 4.8431044747	-0.4477110769	-2.6959103343	 0.127931
+H	 6.0297126077	 0.8617482032	-2.6552744428	 0.122954
+H	 3.9006097209	 1.556409529	-1.5071774471	 0.09541
+H	 6.3738626211	 1.3405319797	 0.2941409376	 0.096596
+H	 5.2015345088	 2.6878680965	 0.2455990848	 0.107513
+H	 4.3274712396	-0.9563377983	 0.1760319192	 0.096494
+H	-0.5708707659	-0.8997375934	-0.5003792643	 0.142152
+H	-0.5510475431	-0.2376366508	 1.1328747506	 0.12298
+H	-0.3904235726	 1.8618471139	-0.0028504658	 0.288642
+19
+0 4625	3.9764498	0.6361641	0.5838537	1.4068	82.08	-0.25098	0.02618	0.27715999999999996	1904.3615	0.155049	-422.503664	-422.493487	-422.492543	-422.541018	34.919
+C	 5.5403364678	-1.3931868066	 1.3768667406	-0.409432
+C	 4.7201965392	-1.2652024401	 0.1131269875	 0.169189
+O	 5.5316329362	-1.0938714522	-1.0719920022	-0.291258
+C	 4.7108689532	-0.0089964029	-1.538402652	-0.077932
+C	 3.9807252776	 0.0792730127	-0.170653172	-0.242841
+C	 2.5355221211	 0.1138223468	-0.1390959862	 0.05427
+C	 1.3295944052	 0.1228349688	-0.1367266788	 0.065738
+C	-0.1313039124	 0.1555533333	-0.0756383046	-0.192745
+O	-0.6466842046	 1.2782076781	 0.6268871879	-0.401061
+H	 6.162903446	-2.2924954598	 1.3364925111	 0.132248
+H	 6.1967334604	-0.5267783616	 1.5032697479	 0.121157
+H	 4.8836861401	-1.4707993751	 2.2501452396	 0.122101
+H	 4.0452780437	-2.1248645937	-0.0032207395	 0.079442
+H	 5.3028493462	 0.8616070476	-1.838476943	 0.110896
+H	 4.0533401727	-0.3092086869	-2.3638575986	 0.107356
+H	 4.3968728112	 0.8821592978	 0.4465380048	 0.106822
+H	-0.5491462103	 0.2210807216	-1.0865235668	 0.141247
+H	-0.4977627024	-0.7899424772	 0.3560730842	 0.117839
+H	-0.2058903809	 1.3087784796	 1.4823627001	 0.286963
+19
+0 4626	3.3722633	0.6950264	0.6458846	2.619	82.6	-0.2415	0.02721	0.26871	1817.7835	0.154675	-422.503272	-422.492988	-422.492044	-422.540547	35.187
+C	 1.0670708094	-4.1846588666	-3.9832762818	-0.365394
+C	 1.1837986593	-2.8229211498	-4.6918501792	-0.317016
+C	 0.8451529213	-1.6939426511	-3.8329471155	 0.116037
+C	 0.555660002	-0.7735426094	-3.1107912743	 0.033738
+C	 0.2220642636	 0.3354128966	-2.2413616478	-0.041078
+O	-1.206244146	 0.585714479	-2.1104281945	-0.28694
+C	-1.1011162064	 0.69732783	-0.6762403508	-0.099046
+C	 0.347423659	 0.1594752115	-0.7062812871	 0.049565
+O	 1.3684765391	 0.9376222666	-0.1420484211	-0.422436
+H	 0.0468675756	-4.3502945497	-3.6269237836	 0.130203
+H	 1.3291502979	-4.9952812358	-4.6696684565	 0.115321
+H	 1.7379584277	-4.2328485712	-3.1212171244	 0.126372
+H	 2.2043592581	-2.6921639522	-5.0741329263	 0.131803
+H	 0.5301253797	-2.8096511105	-5.5735147085	 0.135039
+H	 0.7467793233	 1.2490899009	-2.5552679412	 0.107602
+H	-1.151818493	 1.7392083069	-0.3325515264	 0.100818
+H	-1.8599905247	 0.0972960591	-0.1621712187	 0.103711
+H	 0.4210626878	-0.8944998541	-0.4174323502	 0.089915
+H	 1.5129368062	 0.6509997899	 0.7643486478	 0.291786
+19
+0 4627	3.7883401	0.6441812	0.5826605	2.7967	82.87	-0.24192	0.0296	0.27152	1897.8716	0.155683	-422.512012	-422.502002	-422.501058	-422.549036	35.272
+O	-5.9621062633	-0.396613572	-2.4209933481	-0.402964
+C	-4.9934347675	 0.6447020101	-2.4322282558	-0.192952
+C	-3.976768703	 0.5091248225	-1.3904443682	 0.111882
+C	-3.1744798223	 0.3774216006	-0.4992368335	-0.001294
+C	-2.1845806808	 0.2570469888	 0.5478042252	-0.20026
+C	-2.2865076375	 1.1347879915	 1.8381304777	-0.231051
+C	-0.7404490527	 1.2492920699	 1.8423280449	-0.272373
+C	-0.7562199774	 0.876045358	 0.3377063163	 0.166422
+O	 0.2676680856	 0.1086095339	-0.2230973037	-0.423372
+H	-6.2903179872	-0.4706958944	-1.5189087735	 0.28561
+H	-4.5267731966	 0.604180138	-3.4229879031	 0.140122
+H	-5.4715350131	 1.6343324053	-2.3490251299	 0.114494
+H	-2.0619007268	-0.7948934465	 0.837617521	 0.09252
+H	-2.7688906816	 2.0905074557	 1.6219984445	 0.116941
+H	-2.7691278655	 0.6809809551	 2.7046349477	 0.108651
+H	-0.2862387378	 2.1995439898	 2.1284824836	 0.107864
+H	-0.2824221848	 0.4483188473	 2.4341635176	 0.095367
+H	-0.8377730017	 1.771161363	-0.2849984917	 0.105285
+H	 0.3885256244	-0.6779915366	 0.319618929	 0.279107
+19
+0 4628	4.073824	0.6964754	0.6720462	1.9193	80.84	-0.24858	0.03433	0.28291	1754.8886	0.156642	-422.521499	-422.511924	-422.51098	-422.558338	32.841
+C	-4.1436295955	 0.1562231606	 1.8472462549	-0.36547
+C	-3.3957317476	-1.058240151	 1.2680357899	-0.314965
+C	-1.9867161376	-0.7938081533	 0.9978629053	 0.048624
+C	-0.8262079148	-0.5584148236	 0.7751339816	 0.099949
+C	 0.581084016	-0.2784998088	 0.5146277689	-0.086932
+C	 1.109224923	 0.978181543	 1.2771137948	-0.121405
+O	 1.8808592764	 1.6620781941	 0.3063150832	-0.229258
+C	 1.2229948959	 1.3939818961	-0.9054086571	 0.021406
+O	 0.8394871638	 0.037369453	-0.8637185252	-0.244886
+H	-3.696206416	 0.4738165518	 2.7930045812	 0.12742
+H	-4.1057973696	 1.0019000066	 1.1553001022	 0.129413
+H	-5.1929611618	-0.0938744062	 2.0292211857	 0.116479
+H	-3.4776389409	-1.9062204422	 1.9600792307	 0.131745
+H	-3.8828647592	-1.3819418933	 0.3392838243	 0.135176
+H	 1.1854984663	-1.1609375823	 0.7548636446	 0.112199
+H	 0.2667283058	 1.591664761	 1.6240909032	 0.107488
+H	 1.7509469277	 0.7268819397	 2.1232595536	 0.124367
+H	 0.3367749179	 2.0446224653	-1.0209331563	 0.086524
+H	 1.9188695602	 1.5465779695	-1.7346075555	 0.122126
+19
+0 4629	3.5241945	0.7897311	0.755366	1.9615	79.71	-0.2478	0.03902	0.28681999999999996	1616.9644	0.156533	-422.520865	-422.511196	-422.510251	-422.558057	32.83
+C	-1.9410222847	 0.8842841084	-6.0699242198	-0.36484
+C	-1.8064907511	 2.1096315742	-5.1471332635	-0.319181
+C	-1.3197955085	 1.7713835493	-3.814208571	 0.087713
+C	-0.9219379285	 1.4724592006	-2.716915429	 0.08713
+C	-0.43989258	 1.1152689308	-1.3705038781	-0.039111
+O	-0.1461153912	-0.2621035701	-1.2605412876	-0.228546
+C	 1.1911645083	-0.4153352631	-1.7286846947	-0.103765
+C	 1.8124618087	 0.998666464	-1.5778464586	-0.104092
+O	 0.7564444271	 1.7893083236	-1.0388789445	-0.228713
+H	-2.6387859396	 0.1557265787	-5.6488770083	 0.132512
+H	-2.3100070009	 1.1886026415	-7.0537338223	 0.116504
+H	-0.9753118695	 0.3889432269	-6.2018282704	 0.12742
+H	-1.1295853607	 2.8426886037	-5.6042263289	 0.132495
+H	-2.7783093973	 2.6117406257	-5.0584834657	 0.13366
+H	-1.1868188283	 1.3619793642	-0.6098515679	 0.117217
+H	 1.6778583478	-1.1717746255	-1.1080378812	 0.118193
+H	 1.2041674014	-0.7479329552	-2.7738753493	 0.108358
+H	 2.6478822981	 1.0328514437	-0.8741733585	 0.11825
+H	 2.1437402687	 1.3948086086	-2.5455715009	 0.108796
+19
+0 4630	4.067204	0.6981073	0.6806866	2.1088	80.32	-0.24798	0.02925	0.27723000000000003	1726.9278	0.156901	-422.523672	-422.513994	-422.51305	-422.560931	33.225
+O	-3.9017712882	 3.3281172896	 1.0882126796	-0.401921
+C	-3.3685355815	 2.0229453643	 0.9131558142	-0.189998
+C	-1.9143093952	 2.0008729781	 0.7609020826	 0.016064
+C	-0.7198561409	 2.032642369	 0.6003406166	 0.10809
+C	 0.7357587122	 2.0622122019	 0.4118149882	-0.07227
+C	 1.4256010221	 0.7845327141	 0.9306662031	-0.221538
+C	 1.2761477585	-0.1518389074	-0.276917213	-0.234474
+C	 1.3873340007	 0.8187198196	-1.4668516956	-0.058792
+O	 1.0943779355	 2.1309361298	-0.9700229135	-0.255194
+H	-3.5479977489	 3.8791621453	 0.3821531765	 0.288968
+H	-3.6639114164	 1.4590137478	 1.8051407862	 0.139108
+H	-3.8290325771	 1.5137598981	 0.050964696	 0.118241
+H	 1.1368408107	 2.9640751453	 0.8877405063	 0.108956
+H	 2.479593972	 1.0062204975	 1.1251595091	 0.108072
+H	 0.9735810744	 0.3988801694	 1.8456425128	 0.115666
+H	 2.0329217547	-0.938732386	-0.3066723485	 0.106732
+H	 0.292193575	-0.6292706535	-0.2606457701	 0.118262
+H	 2.4007139044	 0.8364579511	-1.8874516968	 0.102213
+H	 0.6899207281	 0.5668721459	-2.2743346538	 0.103815
+19
+0 4631	4.9035083	0.6316245	0.5875148	1.3796	81.14	-0.2489	0.02861	0.27751000000000003	1869.5408	0.157252	-422.523503	-422.513819	-422.512874	-422.560738	33.177
+O	-4.1143423763	-0.8759397359	-3.5927170847	-0.401939
+C	-3.3441431212	 0.2406804463	-4.0186317081	-0.192964
+C	-2.2733724792	 0.6008612609	-3.0894975315	 0.071799
+C	-1.4247615487	 0.8942020487	-2.2849706447	 0.031257
+C	-0.3725869909	 1.2353283403	-1.3422904767	-0.162585
+C	-0.1408124976	 0.1879827058	-0.2132604738	-0.249415
+C	 1.3947824284	 0.2259302773	 0.0043225502	-0.077576
+O	 1.9119892391	 1.23759142	-0.8558174016	-0.240882
+C	 1.041161636	 1.3261861171	-1.963328105	-0.088021
+H	-4.4046805294	-0.6964094665	-2.6924168574	 0.286375
+H	-2.9223408613	-0.0442123586	-4.989019817	 0.139371
+H	-3.9822175312	 1.1210315217	-4.1981957041	 0.11665
+H	-0.5913959838	 2.2060603923	-0.8822501014	 0.107584
+H	-0.699648248	 0.4447327076	 0.6887288692	 0.115412
+H	-0.4701587677	-0.8004986711	-0.5401982015	 0.120565
+H	 1.6822775711	 0.4855843901	 1.02678088	 0.111522
+H	 1.8435098444	-0.7480005359	-0.2402603844	 0.098065
+H	 1.2316573814	 2.2712373631	-2.4766412592	 0.118
+H	 1.193418215	 0.4971926068	-2.6733646683	 0.09678
+19
+0 4632	3.4075304	0.634708	0.5602087	3.357	81.5	-0.25235	-0.02746	0.22489000000000003	1980.0142	0.153358	-422.547263	-422.536374	-422.53543	-422.586869	36.748
+C	 0.2042671268	-0.0640518327	-0.4772114326	-0.365817
+C	 1.6745846724	-0.0367268775	-0.0215170471	-0.315461
+C	 2.1608037506	 1.3087734633	 0.2675611859	 0.101565
+C	 2.5409933724	 2.4276452195	 0.5013133879	 0.033061
+C	 3.0055173496	 3.7765094197	 0.7938128549	-0.46546
+C	 4.0382305796	 4.3641600154	-0.1736256481	 0.363695
+O	 4.5830998532	 5.4180245693	 0.070728075	-0.317142
+C	 4.36591887	 3.6274021384	-1.4582938811	-0.132417
+O	 5.2874250244	 4.337380906	-2.2285944647	-0.422886
+H	-0.4496006135	 0.3524362965	 0.2936580694	 0.129874
+H	 0.0686835632	 0.5238216492	-1.3889680381	 0.129397
+H	-0.111467766	-1.0916536883	-0.6791434072	 0.118473
+H	 1.7950757364	-0.6636035487	 0.8712039692	 0.13339
+H	 2.3075732887	-0.4908921449	-0.7945298344	 0.133564
+H	 2.1630214396	 4.4821334498	 0.8006665081	 0.166577
+H	 3.443712289	 3.8394684551	 1.7973593173	 0.165339
+H	 4.740400767	 2.6265805224	-1.1873527077	 0.126978
+H	 3.4240334262	 3.4527652496	-2.0040112405	 0.123656
+H	 5.4926606705	 5.1323519478	-1.7108435264	 0.293615
+19
+0 4633	3.4807153	0.6552312	0.5823495	2.0605	81.6	-0.24435	0.01345	0.25780000000000003	1950.5777	0.154016	-422.559065	-422.548038	-422.547094	-422.598696	36.268
+C	 0.1240151097	 0.009597916	-0.6265035957	-0.364447
+C	 1.5685049619	-0.0049556794	-0.0938237285	-0.312994
+C	 2.060189714	 1.3211257658	 0.2651624647	 0.079323
+C	 2.446046514	 2.4257452134	 0.5474744888	 0.065055
+C	 2.9212108425	 3.7505402551	 0.9199430455	-0.470061
+C	 4.0300760724	 4.3321675182	 0.0430177444	 0.450924
+O	 4.9283987686	 5.0142523617	 0.4645105921	-0.359354
+O	 3.8534490431	 4.0329777246	-1.252917085	-0.213013
+C	 4.834214933	 4.578732153	-2.1449478273	-0.237427
+H	-0.562664392	 0.4104615053	 0.1239914411	 0.127407
+H	 0.0467664889	 0.6332824437	-1.5211546224	 0.128813
+H	-0.1985525403	-1.0039691999	-0.882836537	 0.113971
+H	 1.6300852039	-0.6652773471	 0.7808262245	 0.128599
+H	 2.2328236443	-0.4448006456	-0.8488216268	 0.129681
+H	 2.0922177423	 4.4721432682	 0.8872022508	 0.156704
+H	 3.3020921342	 3.7677224651	 1.9453303883	 0.158322
+H	 4.8328930785	 5.6706906861	-2.0978377827	 0.140698
+H	 5.8324384905	 4.2175428101	-1.8857672802	 0.143034
+H	 4.5500581506	 4.2379299758	-3.1403608947	 0.134765
+19
+0 4634	3.2428564	0.6270084	0.5516026	1.4939	81.39	-0.24153	-0.01618	0.22535	1992.3076	0.153172	-422.542072	-422.530919	-422.529975	-422.58144	37.158
+C	 5.7021640165	 0.7093738999	-3.025306691	-0.378899
+C	 4.6024464301	 0.555961771	-1.9784103175	-0.27782
+C	 4.6310668163	-0.7833057782	-1.2677256728	 0.388682
+O	 5.3920675752	-1.6711726448	-1.5663102025	-0.29254
+C	 3.6658428525	-0.9802270976	-0.0765051245	-0.447654
+C	 2.3670378237	-0.3342362089	-0.1903263134	 0.033755
+C	 1.2907094708	 0.195237716	-0.3081989739	 0.069397
+C	-0.0190530965	 0.8422523408	-0.3894468528	-0.194102
+O	-0.1572098739	 1.957465646	 0.479818366	-0.400473
+H	 6.692715086	 0.6291765887	-2.5695292618	 0.128633
+H	 5.6298595425	-0.0749050856	-3.7827084482	 0.134009
+H	 5.6280183604	 1.6804993741	-3.522199061	 0.112008
+H	 4.6504147735	 1.3461378675	-1.216406064	 0.124531
+H	 3.6044954301	 0.6667226462	-2.4221096807	 0.140629
+H	 3.5683472579	-2.0593870606	 0.078478164	 0.155551
+H	 4.1939625664	-0.5892429515	 0.8063745754	 0.155027
+H	-0.1845487329	 1.2323943771	-1.3999226753	 0.141008
+H	-0.8054350834	 0.0919383563	-0.2088251868	 0.12053
+H	 0.0715773949	 1.6611374437	 1.3669604007	 0.287727
+19
+0 4635	2.7639656	0.7588296	0.6361161	3.3213	81.04	-0.25125	-0.02605	0.22519999999999998	1772.8143	0.153266	-422.53458	-422.523508	-422.522564	-422.573301	36.974
+C	-2.4341392854	-4.5565038173	-0.7036148041	-0.415445
+C	-1.4184922735	-3.4506590784	-0.3711086899	-0.050328
+C	-1.8924645819	-2.0798841932	-0.9172170067	-0.371551
+C	-0.9424318876	-1.00969218	-0.6375741579	 0.000663
+C	-0.130610626	-0.1579334793	-0.3788840641	 0.116327
+C	 0.8879583489	 0.8278855441	-0.016511299	-0.188147
+O	 2.1731891894	 0.2581350913	 0.1829359368	-0.402321
+C	-1.2434595688	-3.3690079353	 1.1346560822	 0.175429
+O	-0.2512339488	-3.6820371975	 1.7373727244	-0.247667
+H	-2.0728339633	-5.533478553	-0.3712412655	 0.135467
+H	-3.3989573727	-4.3683911603	-0.2186254953	 0.123868
+H	-2.6067933486	-4.6058749866	-1.7830514403	 0.128762
+H	-0.4414354551	-3.6943496116	-0.7982525281	 0.108996
+H	-2.0605823177	-2.1721354601	-1.9971554757	 0.136057
+H	-2.8696218523	-1.8363504976	-0.4768751939	 0.131048
+H	 1.0076464996	 1.5618722329	-0.8213415667	 0.139084
+H	 0.5531304532	 1.3857563196	 0.8729292895	 0.117817
+H	 2.0697659949	-0.480292581	 0.7929309709	 0.292662
+H	-2.1515384243	-3.0001333068	 1.6717063636	 0.069281
+19
+0 4636	4.2989771	0.6168344	0.5627869	3.1934	82.05	-0.25264	-0.03173	0.22090999999999997	1960.9485	0.153127	-422.540779	-422.529798	-422.528854	-422.579379	36.92
+C	 3.4198917368	 2.2239753107	-0.6632967704	-0.367936
+C	 2.4920555946	 2.1450939085	 0.5628109394	-0.315178
+C	 1.9634941256	 0.8045443154	 0.7989922228	 0.155606
+C	 1.5086978783	-0.2947634454	 0.9970112355	-0.044721
+C	 1.021151071	-1.6551010822	 1.1920031927	-0.362676
+C	 1.5899846617	-2.6012312226	 0.1121773079	 0.046156
+O	 2.9998239945	-2.6310044592	 0.0948426935	-0.437967
+C	 1.1231121115	-4.0334133629	 0.3284473723	 0.14946
+O	 0.0126089181	-4.329214633	 0.6849223243	-0.247543
+H	 4.2866936832	 1.5684752412	-0.5395476752	 0.124409
+H	 2.8921994053	 1.9197683331	-1.5713101722	 0.129528
+H	 3.7818420443	 3.2468366665	-0.8015843687	 0.119815
+H	 3.0338206028	 2.484663946	 1.4547362446	 0.132554
+H	 1.6560521638	 2.8442025495	 0.4337146314	 0.133897
+H	 1.3223351626	-2.0276801002	 2.1787940545	 0.138129
+H	-0.0720662604	-1.7040762225	 1.1538273726	 0.149184
+H	 1.1875480289	-2.2834484176	-0.8669620443	 0.103521
+H	 3.3004866973	-1.7144705958	 0.0659095202	 0.292347
+H	 1.9057824802	-4.7935338693	 0.1157429292	 0.101415
+19
+0 4637	4.1851644	0.6441843	0.6182699	2.3531	80.72	-0.25112	0.03166	0.28278000000000003	1836.8521	0.153928	-422.50396	-422.493509	-422.492565	-422.541486	36.191
+C	 2.601002467	-1.627906658	 2.2984885025	-0.457678
+C	 2.2615877124	-2.2508571958	 0.9641851226	 0.4276
+C	 0.7830836721	-2.2602068044	 0.5746709694	-0.421265
+C	 0.1732393475	-0.9342992129	 0.548022822	 0.048786
+C	-0.3297828809	 0.1600529392	 0.5141605843	 0.072405
+C	-0.9313840487	 1.4930068034	 0.516455678	-0.193189
+O	-1.6806823992	 1.7783808645	 1.6906013897	-0.402422
+C	 3.1404458816	-3.2726127156	 0.3781126303	-0.230779
+O	 3.1530291609	-1.9270980601	-0.1078754304	-0.264945
+H	 2.1117298678	-2.1687306853	 3.1160450825	 0.119773
+H	 3.6806140121	-1.645500627	 2.4633793892	 0.127998
+H	 2.260330196	-0.5888723402	 2.3296123325	 0.134808
+H	 0.6878029243	-2.7271643616	-0.4121933929	 0.137932
+H	 0.2350116876	-2.9001646376	 1.2798614143	 0.132434
+H	-0.14501857	 2.2466741092	 0.3503523759	 0.119204
+H	-1.637850383	 1.5880090802	-0.3157029037	 0.140593
+H	-1.1119498201	 1.5938079675	 2.4451910534	 0.285532
+H	 4.0347638417	-3.5856700348	 0.915586385	 0.112621
+H	 2.7332275107	-4.0142173108	-0.3087781946	 0.110593
+19
+0 4638	3.8898683	0.6697608	0.6385706	2.3964	80.74	-0.2455	0.03466	0.28016	1798.6759	0.154325	-422.506052	-422.495691	-422.494747	-422.543185	36.602
+O	 1.1601033598	 2.4957548945	 3.8407892335	-0.404979
+C	 1.1549742844	 2.6602664671	 2.4284705676	-0.186174
+C	 1.0100720218	 1.4015875461	 1.6993384946	 0.057348
+C	 0.9297030425	 0.33404943	 1.1473649123	 0.075057
+C	 0.8363060438	-0.9580148074	 0.4750309614	-0.439293
+C	 2.0723527987	-1.8323235249	 0.6658282784	 0.432257
+O	 2.3724061299	-2.1308470065	 2.0013589022	-0.460606
+C	 3.2711925742	-1.6336303463	-0.203510136	-0.282876
+C	 2.4048047977	-2.8695830759	-0.3782615869	-0.333517
+H	 1.7900421854	 1.7956118072	 4.0420107566	 0.289171
+H	 0.3129610543	 3.3266816024	 2.2093040808	 0.135958
+H	 2.0650958819	 3.1778339059	 2.0841907631	 0.115129
+H	-0.0468035445	-1.5028061685	 0.8407181532	 0.119922
+H	 0.6686524167	-0.8053841023	-0.5982890259	 0.130425
+H	 1.6755183676	-2.7026804287	 2.3432120279	 0.28096
+H	 3.2369692008	-0.8620439837	-0.9645609989	 0.117721
+H	 4.2364761682	-1.7667651377	 0.2702008773	 0.125874
+H	 1.7814623561	-2.9468925063	-1.2630288799	 0.110718
+H	 2.8080795207	-3.8096560949	-0.0192061512	 0.116906
+19
+0 4639	5.2750583	0.5349708	0.5118229	2.982	82.01	-0.24913	0.03477	0.2839	2159.1659	0.154121	-422.503009	-422.492474	-422.49153	-422.540656	35.953
+C	-0.9126967718	-2.959786609	 2.472018668	-0.420067
+C	-0.7512584128	-1.4781012253	 2.2537892469	 0.078744
+O	-1.8528635802	-0.7897841043	 1.6444299671	-0.252815
+C	-0.6269503097	-0.8795995089	 0.9189022922	 0.074701
+C	 0.1201033965	 0.4227818055	 0.6839526891	-0.389523
+C	-0.4253411514	 1.1971534493	-0.4263297429	 0.042482
+C	-0.8797358469	 1.8175242551	-1.3535416384	 0.073345
+C	-1.4959976699	 2.5744203961	-2.4423639336	-0.187278
+O	-2.477937099	 3.5022463327	-2.001567478	-0.40335
+H	-1.5742015574	-3.1534909077	 3.3227223248	 0.132148
+H	-1.3439075425	-3.4372204535	 1.5881171168	 0.12909
+H	 0.0554240582	-3.4253607575	 2.6860576407	 0.123004
+H	-0.3058650743	-0.929576405	 3.0867486401	 0.088241
+H	-0.6689560611	-1.5427743479	 0.0534397676	 0.096259
+H	 0.0904962677	 1.0166276956	 1.6053407053	 0.138158
+H	 1.1770997507	 0.1944592943	 0.4892550063	 0.133886
+H	-0.7394695248	 3.1687735269	-2.9671321097	 0.137632
+H	-1.9133015507	 1.8712352946	-3.1814092911	 0.11615
+H	-3.0762258306	 3.0278917489	-1.4146367015	 0.289195
+19
+0 4640	3.1433214	0.6393737	0.5645116	1.7232	80.93	-0.25111	0.0308	0.28191	1950.6357	0.154765	-422.502875	-422.492482	-422.491537	-422.540443	36.229
+O	 0.5420659611	-3.8523026191	-2.2883177513	-0.403036
+C	-0.8528184877	-3.7341775453	-2.0374065907	-0.190552
+C	-1.1802897674	-2.727017186	-1.0286324467	 0.070464
+C	-1.4153288817	-1.9183437756	-0.1664780494	 0.039852
+C	-1.6851088359	-0.9052423428	 0.8515571678	-0.383441
+C	-0.8260115541	 0.3396626635	 0.6873423734	-0.023241
+C	-1.2812454802	 1.6716480445	 1.2491916213	-0.311632
+C	-1.25506634	 1.4511718302	-0.2331532484	 0.121388
+O	-0.2943049971	 2.1683474059	-0.9489461885	-0.424121
+H	 0.9757727804	-3.974010517	-1.4372988305	 0.286181
+H	-1.3040352634	-3.4686648542	-3.0000733566	 0.137185
+H	-1.2886612651	-4.7021218632	-1.7415787865	 0.116639
+H	-2.7455047362	-0.622592855	 0.8083678766	 0.127062
+H	-1.5337607658	-1.3334390296	 1.8517010363	 0.129661
+H	 0.2447904687	 0.1616126806	 0.7174880367	 0.097771
+H	-2.2443775125	 1.7279642085	 1.7458562788	 0.111125
+H	-0.518719555	 2.3265289533	 1.6546226967	 0.124901
+H	-2.2154171647	 1.3332059041	-0.7375445423	 0.084594
+H	 0.0047566666	 1.6125986173	-1.6767426965	 0.289199
+19
+0 4641	5.7952022	0.5612249	0.5328357	2.9872	81.68	-0.24203	0.03368	0.27571	2054.4613	0.155565	-422.498503	-422.488434	-422.48749	-422.536297	34.097
+O	 6.7490666973	-0.8004981372	-0.1788803477	-0.403799
+C	 5.7927788339	-0.2069098859	 0.6908504875	-0.19307
+C	 4.4187994989	-0.2978912318	 0.1999635782	 0.103413
+C	 3.2929831099	-0.418970776	-0.2114684914	 0.016683
+C	 1.9302601585	-0.5171981801	-0.7191162697	-0.368996
+C	 1.2875119568	 0.8469461494	-0.9822729306	 0.173459
+C	-0.2081553427	 0.8605625851	-1.3673249362	-0.301804
+C	-0.3683334237	 1.7507484445	-0.1189355099	-0.057666
+O	 1.0207863707	 1.5800760658	 0.2331652278	-0.284671
+H	 6.441716828	-1.691634067	-0.3747602291	 0.285437
+H	 5.8486053353	-0.6423013352	 1.7015911467	 0.116108
+H	 6.0896645662	 0.843609963	 0.7849584864	 0.140716
+H	 1.9250226411	-1.0831703835	-1.6613724944	 0.128378
+H	 1.2976537376	-1.0703754426	-0.0132380805	 0.127819
+H	 1.9304578018	 1.4291224694	-1.6556062825	 0.085522
+H	-0.4552450533	 1.3166382187	-2.3266562653	 0.112931
+H	-0.6954878	-0.1146592639	-1.2962437485	 0.110004
+H	-0.6096438051	 2.8007798224	-0.327507366	 0.103495
+H	-1.0389644213	 1.3831845951	 0.6661362751	 0.106041
+19
+0 4642	5.8185229	0.5478245	0.5226891	0.4736	80.71	-0.24869	0.02647	0.27516	2064.7785	0.155769	-422.494979	-422.48488	-422.483936	-422.533944	33.875
+O	-4.7036322792	 1.001709033	-3.9934425678	-0.401503
+C	-4.336124263	 0.6245580055	-2.673317693	-0.190534
+C	-2.9895219321	 1.0558791434	-2.2968033546	 0.093813
+C	-1.8639467469	 1.4023062442	-2.0405212073	 0.0142
+C	-0.5115923516	 1.8140243829	-1.678634104	-0.374955
+C	-0.1420658731	 1.4147965151	-0.2439671318	-0.015395
+C	 1.3502830146	 1.5587136204	 0.1282452057	-0.090775
+O	 1.5059672652	 0.1314542532	 0.2503152494	-0.2707
+C	 0.1014424688	-0.0902827372	 0.0015477302	-0.071463
+H	-4.0024110629	 0.7042203576	-4.5824248378	 0.28718
+H	-5.0794630106	 1.088674196	-2.0154942849	 0.139367
+H	-4.4234460836	-0.4644976002	-2.52943599	 0.11663
+H	 0.2121993634	 1.3648944404	-2.3723610735	 0.133028
+H	-0.4098232063	 2.9017274806	-1.7903171068	 0.132083
+H	-0.8349304481	 1.8798783175	 0.459778746	 0.091562
+H	 1.9988117264	 1.98056866	-0.6512726836	 0.099484
+H	 1.5521293217	 2.0772417046	 1.0741644492	 0.100215
+H	-0.0685975868	-0.746296663	-0.8613525359	 0.105441
+H	-0.4070929061	-0.5149622638	 0.8758515406	 0.102321
+19
+0 4643	5.8703372	0.4625324	0.4446697	3.3631	82.16	-0.24471	-0.0174	0.22731	2407.6586	0.153014	-422.544303	-422.533005	-422.532061	-422.584036	37.197
+C	 6.8582516699	 0.3050255738	 2.3600185688	-0.474664
+C	 6.0599227179	-0.0011522006	 1.105608789	 0.378057
+O	 6.5939437113	-0.2923121147	 0.0597521766	-0.286509
+C	 4.5438527285	 0.0793583807	 1.2353311369	-0.290075
+C	 3.8137132623	-0.2564800835	-0.0748041643	-0.361367
+C	 2.3641464859	-0.1643871876	 0.0493974412	-0.01521
+C	 1.1668331671	-0.0967632096	 0.1697623311	 0.125711
+C	-0.2833798725	 0.0387625343	 0.2995757701	-0.190137
+O	-0.8456332124	 1.0057915223	-0.5781162465	-0.402668
+H	 6.5928256248	-0.3943485167	 3.1608637133	 0.140674
+H	 7.9251921264	 0.2306629416	 2.1472645884	 0.14568
+H	 6.6235721442	 1.3103755826	 2.7271259126	 0.139507
+H	 4.2232751047	-0.5942892339	 2.040411189	 0.131515
+H	 4.2750452354	 1.0861922194	 1.5801678546	 0.129875
+H	 4.1674329322	 0.4155592479	-0.8648116624	 0.146074
+H	 4.1036567902	-1.2615983116	-0.4010816234	 0.145559
+H	-0.7758773489	-0.9080640853	 0.0508237223	 0.138741
+H	-0.5361548584	 0.2590560247	 1.3496504573	 0.113454
+H	-0.3304219486	 1.8133886464	-0.4818048645	 0.285782
+19
+0 4644	5.1959291	0.5182317	0.4936083	2.331	83.33	-0.25467	0.01563	0.2703	2262.6412	0.153584	-422.562453	-422.551395	-422.550451	-422.601492	36.413
+C	-0.1066000522	-0.1070535884	-0.2062545978	-0.365874
+C	 1.3967626876	-0.0317892816	 0.1159186622	-0.317118
+C	 1.926023698	 1.3271176482	 0.0891398783	 0.156393
+C	 2.3433143184	 2.4560299719	 0.0663680863	-0.01107
+C	 2.8628991271	 3.8096946435	 0.0003533089	-0.232121
+O	 2.7915853557	 4.406344077	 1.316077994	-0.236262
+C	 3.2477051133	 5.6754326358	 1.3868232501	 0.441387
+C	 3.1315281689	 6.2042250392	 2.7959523598	-0.476707
+O	 3.6834103374	 6.2804510227	 0.4397219579	-0.34792
+H	-0.6877304571	 0.4745125694	 0.5143513546	 0.130527
+H	-0.3110159695	 0.2908376027	-1.2038829261	 0.129324
+H	-0.451685765	-1.1445780912	-0.1713148287	 0.116142
+H	 1.5845467924	-0.4691876931	 1.104871618	 0.134209
+H	 1.9583532797	-0.6503176806	-0.5959400233	 0.132758
+H	 3.9041183899	 3.8259937658	-0.3399748905	 0.147391
+H	 2.2911227572	 4.4279741646	-0.7003468229	 0.147079
+H	 3.7108555295	 5.5774859858	 3.479773222	 0.151905
+H	 3.4978751633	 7.2294575045	 2.8290253983	 0.148345
+H	 2.0895046752	 6.1673338838	 3.1255674886	 0.151614
+19
+0 4645	6.3857402	0.4557415	0.4518414	2.7521	81.9	-0.25042	0.03473	0.28514999999999996	2385.1066	0.15483	-422.496929	-422.486531	-422.485587	-422.535208	35.092
+O	 1.5352982006	 0.2816817734	-0.2153853527	-0.402942
+C	 0.1320085106	 0.2031967724	-0.0007414545	-0.18943
+C	-0.3822722263	-1.1656203095	 0.0121410059	 0.105967
+C	-0.7623591368	-2.3089593798	 0.0403947432	 0.000954
+C	-1.2426788847	-3.6840530464	 0.0904047309	-0.34834
+C	-1.8490847507	-4.0682172222	 1.457844311	-0.209037
+C	-2.3410757338	-5.4938204605	 1.4647153628	 0.092021
+C	-2.185735322	-6.3760623003	 2.626937654	-0.181021
+O	-1.3337322799	-6.5113185554	 1.4881351681	-0.236523
+H	 1.9533474462	-0.3267033603	 0.4027475063	 0.286361
+H	-0.1571683472	 0.7092695146	 0.9347960573	 0.114409
+H	-0.3247364578	 0.771844023	-0.8186599652	 0.138028
+H	-1.9906150933	-3.840593997	-0.6986124541	 0.129048
+H	-0.4186597865	-4.373091204	-0.1319819649	 0.150105
+H	-1.0931296756	-3.9387722651	 2.2388284831	 0.113694
+H	-2.6803055829	-3.3933037922	 1.6932532861	 0.113026
+H	-3.1603654397	-5.7093715638	 0.7749652519	 0.092663
+H	-1.7051189759	-5.9950415234	 3.5273167536	 0.114697
+H	-2.8874820243	-7.1934536336	 2.7869663873	 0.116319
+19
+0 4646	5.6168262	0.4976322	0.4879899	1.788	82.65	-0.25061	0.0305	0.28110999999999997	2260.4171	0.154418	-422.483604	-422.473297	-422.472353	-422.521078	35.331
+O	-1.0753431435	 1.3460952974	-6.5546498145	-0.401838
+C	-0.6728634636	 2.5216362648	-5.8656937611	-0.19472
+C	 0.0726327755	 2.2566948312	-4.636911742	 0.130652
+C	 0.6473940986	 2.0012365966	-3.6099661645	-0.015149
+C	 1.3790645798	 1.700140355	-2.3888118724	-0.212092
+O	 0.4912842991	 1.6850651165	-1.2783167489	-0.249613
+C	 1.14536006	 1.392965567	-0.0818508323	 0.161037
+C	 0.32064953	 0.7483430739	 0.9811971176	-0.287631
+C	 1.4056656591	-0.0482695914	 0.2814978905	-0.288718
+H	-1.5304122991	 0.7832408079	-5.9195340725	 0.28831
+H	-0.048096521	 3.0809589284	-6.5710073085	 0.141185
+H	-1.5358497558	 3.1648350767	-5.6296860103	 0.121857
+H	 1.8867083675	 0.7269815582	-2.4835621585	 0.122585
+H	 2.169272014	 2.4542105677	-2.2347914418	 0.119392
+H	 1.8885510034	 2.1348687175	 0.215086606	 0.084109
+H	 0.4726815491	 1.0541085671	 2.0099596291	 0.11603
+H	-0.7056768968	 0.5185664578	 0.7194173931	 0.128896
+H	 2.3100055527	-0.2968600046	 0.8257875228	 0.114349
+H	 1.0783069609	-0.7986300477	-0.4295430618	 0.121359
+19
+0 4647	4.6773961	0.5182792	0.4872881	1.8045	82.24	-0.25067	0.00527	0.25594	2191.923	0.154908	-422.556305	-422.545686	-422.544741	-422.595539	35.273
+C	-0.1666596951	-0.0276885452	 0.1156464338	-0.363917
+C	 1.3726535786	-0.0358389179	 0.0852704572	-0.313907
+C	 1.9496101995	 1.2949724632	-0.077091854	 0.111942
+C	 2.3963440668	 2.4070640392	-0.1984607299	 0.012337
+C	 2.9590448814	 3.7382073057	-0.3880409613	-0.355802
+C	 3.5179857121	 3.9099063941	-1.807827412	-0.064669
+O	 4.1677031253	 5.1901370392	-1.954408463	-0.201492
+C	 3.3774048308	 6.2300935315	-2.2569888029	 0.179728
+O	 2.1866743263	 6.2001982207	-2.4067060101	-0.303883
+H	-0.5353059762	 0.5825494835	 0.9445152893	 0.129092
+H	-0.5712191728	 0.3854238178	-0.8122399252	 0.129215
+H	-0.5512089597	-1.044660115	 0.2377619664	 0.114207
+H	 1.755448749	-0.4876815724	 1.0094777353	 0.12902
+H	 1.7194111673	-0.6835913478	-0.7302503105	 0.128367
+H	 2.1937618834	 4.5041337049	-0.2193170484	 0.151675
+H	 3.7643163378	 3.9227411377	 0.3337126047	 0.134183
+H	 4.2949335104	 3.1716212216	-2.0108770631	 0.128206
+H	 2.7194746644	 3.820628608	-2.5464789164	 0.143173
+H	 4.0044649108	 7.1300769813	-2.3518757099	 0.112525
+19
+0 4648	6.1027725	0.4361218	0.4215522	3.23	83.63	-0.25338	-0.02849	0.22488999999999998	2555.4185	0.152491	-422.516319	-422.505155	-422.504211	-422.555473	36.185
+C	-0.153743807	-0.0690905078	-0.0554153737	-0.365802
+C	 1.385389409	-0.0659207602	-0.02490741	-0.317349
+C	 1.9591344568	 1.2751095744	-0.0149177313	 0.167492
+C	 2.4112800452	 2.3907196423	-0.0136386972	-0.024973
+C	 2.9666788963	 3.7347536808	 0.0166413912	-0.208927
+O	 3.1819017339	 4.20598866	-1.3056533023	-0.245703
+C	 3.7179216	 5.5030410662	-1.3394913892	-0.132579
+C	 3.9010131175	 5.8988891356	-2.7947702144	 0.139642
+O	 4.3461087372	 6.9592141405	-3.1439965938	-0.238202
+H	-0.5610124004	 0.4409355037	 0.8217258337	 0.128276
+H	-0.5250027397	 0.4438015134	-0.9465805438	 0.131535
+H	-0.5321795383	-1.0954674341	-0.0644353763	 0.116299
+H	 1.7384250113	-0.6150297217	 0.8574196966	 0.132003
+H	 1.772815192	-0.6140538959	-0.8931756787	 0.135084
+H	 2.2831679427	 4.4162454718	 0.5517151692	 0.118631
+H	 3.9174367101	 3.7398803892	 0.5769874417	 0.119193
+H	 3.0565722907	 6.240664136	-0.8526164055	 0.121968
+H	 4.6951308806	 5.5643906995	-0.8299500765	 0.12213
+H	 3.5827412221	 5.1118923762	-3.5128192798	 0.101281
+19
+0 4649	6.156992	0.4027843	0.3938712	2.5416	83.25	-0.25121	-0.02587	0.22533999999999998	2652.6249	0.153636	-422.531357	-422.520281	-422.519336	-422.571093	36.3
+O	 1.3765982493	 0.3938798316	 0.6769747723	-0.401641
+C	 0.1680775336	 0.1933019569	-0.0438281677	-0.193435
+C	-0.2915568612	-1.1953257621	-0.0410068269	 0.125914
+C	-0.6629577841	-2.3403999685	 0.0153016323	-0.008878
+C	-1.0954441913	-3.7326461389	 0.0335102593	-0.356403
+C	-0.5958629625	-4.5341462245	-1.1857055355	-0.183347
+C	-1.0639132608	-5.9979999433	-1.1497589562	-0.274406
+C	-0.4777741844	-6.802845858	-2.2879504103	 0.156837
+O	-1.1169804353	-7.4276032506	-3.0936650607	-0.234372
+H	 1.2532684002	 0.0165926895	 1.5541919721	 0.286643
+H	-0.6365389653	 0.8439290927	 0.3350897348	 0.117413
+H	 0.3777056665	 0.5186409033	-1.0689525123	 0.140194
+H	-0.7403734849	-4.214889851	 0.9543359398	 0.130165
+H	-2.1917632775	-3.7775118349	 0.0752051608	 0.134741
+H	-0.9526868431	-4.0520925455	-2.1021375784	 0.126288
+H	 0.4990007937	-4.4907512706	-1.2159458325	 0.118585
+H	-0.7245757452	-6.461369974	-0.2110832516	 0.118949
+H	-2.1543837372	-6.0769855645	-1.1920092465	 0.123888
+H	 0.6368112293	-6.7754118074	-2.3383503128	 0.072863
+19
+0 4650	2.6940016	0.7816301	0.6528594	3.8603	83.77	-0.2505	-0.05634	0.19416	1712.3071	0.153149	-422.541389	-422.530213	-422.529269	-422.580914	37.591
+C	-2.3187381939	-3.2364829542	 1.9496596244	-0.379248
+C	-1.0321163729	-3.2744113837	 1.0971063814	-0.13705
+C	 0.1449777212	-3.8994414369	 1.871504551	-0.382453
+C	-0.704017039	-1.9360973591	 0.6122629222	 0.124642
+C	-0.457191142	-0.8198099134	 0.2174683875	-0.023651
+C	-0.1583466433	 0.5084817442	-0.2834008147	 0.199323
+O	-0.8590394775	 1.0786538717	-1.0903736094	-0.276842
+C	 1.1386463709	 1.1355582379	 0.2386901096	-0.158463
+O	 1.6581813875	 0.5514354884	 1.4082619161	-0.411029
+H	-2.1704733707	-2.6246892398	 2.844245124	 0.133523
+H	-3.1545952781	-2.818202479	 1.3839946629	 0.136705
+H	-2.5830248888	-4.250183254	 2.2649634524	 0.12203
+H	-1.2321624263	-3.8985469889	 0.2150538286	 0.121874
+H	 0.372967772	-3.312811825	 2.7666635401	 0.13161
+H	-0.1104256675	-4.9162833171	 2.1842290415	 0.123228
+H	 1.0454679432	-3.946456595	 1.2533462077	 0.125995
+H	 1.8560844572	 1.1129449496	-0.6001454195	 0.120553
+H	 0.9328574839	 2.1879256594	 0.4540841845	 0.145446
+H	 1.6513267442	-0.4054643553	 1.2904343797	 0.283807
+19
+0 4651	2.7587877	0.7313546	0.6426879	2.4133	83.42	-0.25607	-0.05183	0.20424000000000003	1803.0037	0.153356	-422.543577	-422.532504	-422.531559	-422.582029	37.453
+C	 5.328516072	-2.5328721212	 0.3117465501	-0.388172
+C	 4.9121065829	-2.5944156885	 1.7903505003	-0.276771
+C	 3.4095589543	-2.7355648324	 1.9728929841	 0.242997
+O	 2.8959645424	-3.6964401096	 2.5062225872	-0.283761
+C	 2.6054760115	-1.6380625704	 1.4617616494	 0.010661
+C	 1.9291548473	-0.7325663976	 1.0339762988	 0.08243
+C	 1.1149321275	 0.3800008729	 0.5359985638	-0.035597
+C	 0.1739585213	-0.0626547775	-0.5872922021	-0.374168
+O	 1.9145711978	 1.4364768629	 0.0141764982	-0.412955
+H	 5.0466744857	-3.4507505807	-0.2128562568	 0.132298
+H	 4.8526039821	-1.69052654	-0.198035716	 0.135223
+H	 6.4121303265	-2.4142209469	 0.2272357953	 0.124859
+H	 5.3761007807	-3.4443605123	 2.2976974873	 0.124151
+H	 5.2322832275	-1.6754087871	 2.2980590824	 0.117795
+H	 0.5045295181	 0.7452665435	 1.378652212	 0.107707
+H	-0.504470445	-0.8426291314	-0.2348175768	 0.133847
+H	-0.4089077245	 0.7984854143	-0.923000026	 0.132359
+H	 0.7527610741	-0.4469628017	-1.430326763	 0.138237
+H	 2.5608579678	 1.6810026437	 0.6847446819	 0.288862
+19
+0 4652	3.9549459	0.616757	0.5967042	2.3695	85.14	-0.26195	-0.02909	0.23286	1937.6889	0.153986	-422.557042	-422.546107	-422.545163	-422.595662	36.661
+C	 3.0432715741	-3.9595181339	 4.4299236727	-0.239901
+O	 2.6208665338	-3.2478848984	 3.2595103238	-0.217655
+C	 2.7056106018	-1.9048818586	 3.3523135294	 0.252676
+O	 3.1016398737	-1.3178651211	 4.3302047303	-0.359928
+C	 2.2621874938	-1.2733944383	 2.1345755413	-0.116979
+C	 1.9070000575	-0.6780158274	 1.1480328539	 0.286805
+C	 1.4648065631	 0.0205070345	-0.0560713449	-0.143234
+C	 2.1054526092	-0.5948773616	-1.3166248136	-0.377625
+C	-0.0755318558	 0.0226120384	-0.146765319	-0.378451
+H	 2.9141097945	-5.0156545265	 4.1938265386	 0.133899
+H	 4.0900015211	-3.7421670643	 4.6575321394	 0.142414
+H	 2.4324944172	-3.6814219492	 5.292655234	 0.142378
+H	 1.8000734637	 1.0637094115	 0.0222213092	 0.116234
+H	 1.7906079856	-1.6352897495	-1.4401952719	 0.130329
+H	 1.7973198555	-0.0329009455	-2.2035996478	 0.118233
+H	 3.1964471285	-0.5740960631	-1.2555519899	 0.129958
+H	-0.5228459862	 0.4811557182	 0.7386096163	 0.131513
+H	-0.3948072228	 0.5862791294	-1.0286216813	 0.118941
+H	-0.4579087483	-0.9987665747	-0.2328506803	 0.130392
+19
+0 4653	3.2635711	0.9945086	0.8676373	0.6318	78.04	-0.2352	-0.07965	0.15555	1409.3078	0.155045	-422.57483	-422.565005	-422.564061	-422.610908	34.354
+C	 1.0443120453	-1.1057843242	-0.0333326019	-0.391023
+C	 0.7190679629	 0.3377890646	-0.4678072524	-0.265948
+C	 1.9654773357	 1.1942980478	-0.5018602371	 0.29778
+O	 2.5575392317	 1.4839453132	-1.5165145096	-0.283919
+C	 2.4939786853	 1.6978298988	 0.8679819759	 0.276451
+O	 1.8761462497	 1.4359109485	 1.8817541214	-0.324803
+C	 3.7438236589	 2.4853379848	 0.8405616235	-0.107234
+C	 3.8970641757	 3.5797528675	 1.8928132782	-0.249233
+C	 4.6860177095	 2.3288698292	 2.0315218286	-0.248923
+H	 1.454086126	-1.1235054628	 0.9791562912	 0.143766
+H	 0.1350609913	-1.7127921367	-0.0432294156	 0.126691
+H	 1.7669940467	-1.5672042191	-0.7130519026	 0.129266
+H	 0.2867353108	 0.3477139419	-1.4714406282	 0.119158
+H	 0.007972251	 0.7722843726	 0.2404490935	 0.130754
+H	 4.1737410028	 2.6470025147	-0.1377624089	 0.120803
+H	 4.396468377	 4.4885366843	 1.5779872526	 0.125233
+H	 3.0490286712	 3.7133674784	 2.5549159328	 0.138484
+H	 5.7478367167	 2.3455189785	 1.8153616968	 0.125128
+H	 4.3707410718	 1.6185789079	 2.7875171818	 0.137569
+19
+0 4654	2.1811497	1.2849039	0.9862363	2.703	77.64	-0.25961	-0.0308	0.22881	1271.982	0.152296	-422.547198	-422.536534	-422.53559	-422.583641	38.38
+C	-2.358119516	 0.9453429708	-2.7507306927	-0.402242
+C	-0.9452889506	 0.3476141341	-2.5233304582	-0.063263
+C	 0.0112937418	 0.8147134956	-3.6510907002	-0.402242
+C	-1.0192706231	-1.1145171592	-2.5058853865	 0.332401
+C	-1.0948914639	-2.3142022504	-2.5308370054	-0.472981
+C	-0.408136749	 0.9208815721	-1.192925908	 0.366881
+O	-0.2873840492	 2.1189344597	-1.0489641293	-0.341677
+C	-0.0258987788	-0.0041797144	-0.0528376269	-0.14896
+O	 0.433374262	 0.7139239444	 1.0516266772	-0.422393
+H	-3.0558472388	 0.612764487	-1.9775290133	 0.129587
+H	-2.298636341	 2.0355432297	-2.7270089484	 0.142316
+H	-2.7441106628	 0.6232902565	-3.7209485601	 0.129179
+H	 1.0098791464	 0.3886145067	-3.5224796779	 0.129586
+H	-0.3754643481	 0.4927067068	-4.6210183751	 0.129179
+H	 0.0875739636	 1.90398775	-3.6337495093	 0.142316
+H	-1.157158491	-3.3746517964	-2.5408625888	 0.203192
+H	-0.9045797384	-0.6210187471	 0.1967757808	 0.127607
+H	 0.7330418641	-0.7112847684	-0.4255196629	 0.127606
+H	 0.3845701931	 1.6466019325	 0.7878467649	 0.293909
+19
+0 4655	2.2486369	1.165747	1.0761477	2.5578	78.13	-0.2436	-0.02401	0.21959	1285.9066	0.151418	-422.546065	-422.534977	-422.534033	-422.582429	39.219
+C	 0.612543854	-0.4249979459	 0.9745546434	-0.38617
+C	 1.1777211522	 0.2643348539	-0.264481958	-0.273482
+C	 1.9022338974	-0.6880486544	-1.1941208291	 0.371957
+O	 2.1156724565	-1.8443054661	-0.9274215408	-0.306001
+C	 2.3580814251	-0.1057928323	-2.5728227462	 0.087449
+C	 3.5525205883	-0.8970901465	-3.1193583315	-0.411373
+O	 2.7012098745	 1.2609277774	-2.3356337578	-0.447431
+C	 1.2036380715	-0.1963417585	-3.4759637744	 0.33825
+C	 0.2601986834	-0.2501671018	-4.2199727425	-0.50639
+H	-0.1145507227	-1.1943785016	 0.7005315247	 0.127987
+H	 1.4051016575	-0.9161229574	 1.5446203833	 0.131844
+H	 0.1174435169	 0.3017082727	 1.6246059197	 0.110163
+H	 0.3979321911	 0.7730658732	-0.844664899	 0.131174
+H	 1.8852845959	 1.0591251401	 0.0003858399	 0.144431
+H	 4.4064680337	-0.7643931968	-2.4505364535	 0.128786
+H	 3.3104278629	-1.9590574542	-3.1758332925	 0.150256
+H	 3.8182729476	-0.5347091765	-4.1163299385	 0.111669
+H	 2.7511461909	 1.7030646738	-3.1898814149	 0.28884
+H	-0.5733063466	-0.3043289692	-4.8765699425	 0.20804
+19
+0 4656	2.2098597	1.3009946	1.0962111	1.529	78.02	-0.2565	0.00556	0.26206	1238.3264	0.152684	-422.559753	-422.548903	-422.547959	-422.59592	38.084
+C	 1.1318038492	 0.6914738322	-0.3817462189	-0.240101
+O	-0.2069925365	 0.4732646303	 0.0819858923	-0.230619
+C	-0.3339761325	 0.2714198353	 1.4040955824	 0.460956
+O	 0.593281316	 0.2507464709	 2.1715754981	-0.366076
+C	-1.8092010329	 0.0403506441	 1.7950338169	-0.055983
+C	-2.3176611527	-1.2302945235	 1.0648241823	-0.411819
+C	-1.8977211918	-0.1444346347	 3.3227388572	-0.400744
+C	-2.6015657082	 1.2019880948	 1.3822726835	 0.352934
+C	-3.2722718183	 2.1501851889	 1.0736523504	-0.503164
+H	 1.7630641187	-0.1718053352	-0.1565826377	 0.140965
+H	 1.0515751562	 0.8371345346	-1.4588082712	 0.135767
+H	 1.56272622	 1.5758953496	 0.0938372418	 0.143953
+H	-3.3584125651	-1.4195291409	 1.3395426743	 0.129153
+H	-2.2564987297	-1.107650846	-0.0172423043	 0.141542
+H	-1.7176862977	-2.0974289331	 1.3586481027	 0.122624
+H	-1.2984091888	-1.0038649215	 3.6323005886	 0.126717
+H	-1.5214320541	 0.7371130588	 3.8443161284	 0.136591
+H	-2.9382683381	-0.3084028926	 3.6133824249	 0.119412
+H	-3.8567630638	 2.9909905379	 0.7923366584	 0.197893
+19
+0 4657	2.1922803	0.975317	0.6990766	3.252	80.93	-0.24909	-0.02629	0.2228	1614.5011	0.152824	-422.550528	-422.539382	-422.538438	-422.589307	37.516
+C	 1.608454306	-0.1528149746	 0.0491107142	-0.498785
+C	 0.1577450552	-0.0537732083	 0.124965117	 0.052489
+C	-1.0426706062	 0.0250429701	 0.1830668392	 0.079214
+C	-2.4953924269	 0.1455653105	 0.2868418648	-0.269566
+C	-2.9457181499	 0.7862082091	 1.6140290115	-0.382341
+C	-3.232494874	-1.1795496416	 0.028488933	 0.367433
+O	-4.3410641576	-1.3835320385	 0.4733424062	-0.324934
+C	-2.5786861211	-2.233631011	-0.8493484064	-0.136187
+O	-3.4492985863	-3.296275616	-1.0995047542	-0.423675
+H	 2.0771685921	 0.1846126865	 0.9798864111	 0.153058
+H	 1.9268985128	-1.1861026978	-0.1265818056	 0.152963
+H	 2.0072606123	 0.4610369488	-0.765749987	 0.152024
+H	-2.8426937994	 0.7935686439	-0.535679642	 0.139158
+H	-2.5991347541	 0.1903432617	 2.462281661	 0.131514
+H	-2.5280033492	 1.7910174426	 1.7054148935	 0.125031
+H	-4.0349450172	 0.8385107238	 1.6505952367	 0.141084
+H	-2.2460502368	-1.7561530996	-1.7848894981	 0.120426
+H	-1.6596154255	-2.566175858	-0.3403991697	 0.127904
+H	-4.2427178042	-3.1030474516	-0.5752121553	 0.29319
+19
+0 4658	2.2598909	0.8809939	0.7854994	3.6463	81.26	-0.23246	-0.01878	0.21368	1614.513	0.152133	-422.546301	-422.534625	-422.533681	-422.5863	38.291
+C	-3.4929328421	 3.4965195113	-1.5002272767	-0.38029
+C	-3.1482624814	 2.4692278913	-0.4256013717	-0.286046
+C	-3.0920107575	 1.0479595001	-0.952048051	 0.372505
+O	-3.3768276152	 0.7409152769	-2.0830758839	-0.300536
+C	-2.632432538	-0.0452030822	 0.0555491357	-0.092174
+O	-3.1374723083	 0.1991169261	 1.3661183317	-0.421753
+C	-1.1765150727	-0.1323547918	 0.0224082758	 0.048098
+C	 0.0288450822	-0.1426858008	 0.0195230614	 0.036763
+C	 1.4831566728	-0.1867834445	 0.0019425612	-0.498911
+H	-3.5392689475	 4.50202725	-1.0728981426	 0.109218
+H	-2.7470604781	 3.4941565181	-2.2995933751	 0.128779
+H	-4.4589578371	 3.2698318	-1.9580918838	 0.134203
+H	-2.1807529545	 2.6871858127	 0.0479481534	 0.116988
+H	-3.8747186589	 2.4800242945	 0.3960070195	 0.140792
+H	-3.077255528	-0.9822723371	-0.2983930776	 0.131785
+H	-2.4225428604	 0.5702152047	 1.8924678195	 0.291356
+H	 1.8701305627	-0.8335635721	 0.7966858016	 0.155502
+H	 1.8475221528	-0.5794878998	-0.9533787739	 0.161121
+H	 1.9159875292	 0.8099099326	 0.1390814865	 0.152601
+19
+0 4659	2.2133278	0.9784525	0.7585895	1.7394	81.36	-0.24468	0.01016	0.25484	1588.741	0.153303	-422.563497	-422.552133	-422.551189	-422.603422	37.133
+C	-3.5023944036	 0.4394401554	-3.5283470607	-0.240464
+O	-3.1144104018	-0.10837291	-2.2617464508	-0.23015
+C	-3.1261313987	 0.7576760068	-1.2329584444	 0.451666
+O	-3.4696206721	 1.9075013622	-1.3223377291	-0.355396
+C	-2.6415537866	 0.0741988917	 0.0535325055	-0.250732
+C	-3.1259610362	 0.8465115679	 1.2917670429	-0.383459
+C	-1.183726172	-0.0458448655	 0.0090235734	 0.108893
+C	 0.0177172973	-0.1178938883	-0.01586641	 0.02169
+C	 1.4699968829	-0.2144476553	-0.0475071795	-0.496455
+H	-3.4414684422	-0.3847425371	-4.2389430302	 0.133939
+H	-4.5212405621	 0.8322708827	-3.4826866711	 0.140861
+H	-2.8272844146	 1.2477333084	-3.820592521	 0.142277
+H	-3.0727558065	-0.9347903561	 0.053068107	 0.12329
+H	-2.7604135727	 0.3621828302	 2.1999616945	 0.121235
+H	-2.7579948488	 1.8734253527	 1.2631630502	 0.144942
+H	-4.218582297	 0.8758411163	 1.3201702034	 0.120339
+H	 1.9105886118	 0.1089614098	 0.9019911082	 0.149242
+H	 1.7972534708	-1.2435821945	-0.2319874036	 0.14846
+H	 1.8920740921	 0.4147478129	-0.8388740347	 0.149824
+19
+0 4660	1.8290847	1.45753	1.0473274	1.9474	77.08	-0.23785	-0.02358	0.21427000000000002	1240.0725	0.153448	-422.542182	-422.531723	-422.530779	-422.577993	37.201
+C	 4.9981978304	 0.9033539028	 0.2690123261	-0.400836
+C	 3.5652977113	 1.378244633	 0.5299981068	-0.093164
+C	 2.5575245968	 0.2257041674	 0.2483474469	-0.35137
+C	 1.1621879553	 0.5627239193	 0.5132951716	 0.298677
+C	 0.012488843	 0.8501958631	 0.7271870553	-0.448285
+C	 3.2148026846	 2.561702201	-0.381163188	 0.342274
+O	 3.5519823224	 2.5885749973	-1.5423755595	-0.3166
+C	 2.4114113989	 3.7271397507	 0.2118630337	-0.16214
+O	 1.8772039838	 3.5122006952	 1.4963897864	-0.409718
+H	 5.2258924423	 0.0119484484	 0.8617020029	 0.112356
+H	 5.1354923034	 0.6705273249	-0.7900523734	 0.141237
+H	 5.7204331634	 1.6798319151	 0.5368340046	 0.122645
+H	 3.4425442137	 1.6924761953	 1.5692966242	 0.110653
+H	 2.6625465559	-0.0749414716	-0.801454866	 0.153221
+H	 2.8410293109	-0.6412300036	 0.8569602992	 0.138074
+H	-1.0131405658	 1.0659253311	 0.9024215074	 0.208281
+H	 3.1019593242	 4.5763333159	 0.2913158166	 0.13977
+H	 1.6515882149	 4.0089334078	-0.53135745	 0.124168
+H	 1.2163130906	 2.8102175172	 1.4246414951	 0.290758
+19
+0 4661	1.924469	1.1952277	0.9344481	1.3174	76.76	-0.23958	-0.02014	0.21944	1362.1238	0.152851	-422.543207	-422.532417	-422.531473	-422.58002	37.732
+C	 2.5022461348	 3.6509298252	-2.5829156954	-0.380968
+C	 2.7358120874	 2.3491198228	-1.8199575674	-0.291785
+C	 2.659070089	 2.5125718442	-0.3124702293	 0.371128
+O	 2.2871043074	 3.5339527761	 0.2192898556	-0.309522
+C	 3.1753775805	 1.3480157145	 0.5575934386	 0.030203
+O	 4.596436901	 1.3012834304	 0.4429798257	-0.428701
+C	 2.6740790002	-0.043771277	 0.1456889179	-0.365125
+C	 1.2210949947	-0.1438974962	 0.1457181221	 0.290601
+C	 0.0206523119	-0.1989108815	 0.1435930269	-0.443086
+H	 3.2663123201	 4.3934212439	-2.3362356794	 0.124966
+H	 2.5287248287	 3.4762122766	-3.6619845448	 0.11068
+H	 1.5333303404	 4.083884778	-2.3233861165	 0.135888
+H	 1.9863878909	 1.5956983519	-2.1001328551	 0.137924
+H	 3.7085688893	 1.9030518829	-2.0608784618	 0.130584
+H	 2.8630378047	 1.5653537044	 1.5866275784	 0.098653
+H	 4.9516060383	 2.0978965661	 0.8518484027	 0.297424
+H	 3.073971271	-0.2850372892	-0.8460086089	 0.143351
+H	 3.1104529636	-0.7727490494	 0.8380234832	 0.145486
+H	-1.0397609739	-0.2554748335	 0.1465852976	 0.2023
+19
+0 4662	2.064458	1.2106151	0.9069349	1.7458	77.53	-0.26201	0.01346	0.27547	1368.8851	0.153509	-422.560327	-422.549573	-422.548629	-422.597645	36.913
+C	 1.4990343104	-0.1397782191	 0.0517879131	-0.241604
+O	 0.1561934038	-0.423732719	 0.4672993171	-0.232354
+C	-0.44604378	 0.5530459795	 1.1713646057	 0.460872
+O	 0.0812784326	 1.601291182	 1.4499338878	-0.372899
+C	-1.8443906145	 0.1424663494	 1.6090808717	-0.095309
+C	-1.7862044994	-0.323997328	 3.0747727036	-0.409269
+C	-2.8147807822	 1.3334446477	 1.4435284616	-0.346891
+C	-3.0439691604	 1.6938136394	 0.0497853845	 0.293179
+C	-3.2211329504	 1.9659027028	-1.1073962806	-0.439265
+H	 2.1421559719	 0.0351652996	 0.9180292508	 0.13962
+H	 1.8310512687	-1.0189950286	-0.5002733463	 0.133015
+H	 1.522675601	 0.7463490016	-0.5870523138	 0.144813
+H	-2.172057469	-0.6863848446	 0.9768131498	 0.10737
+H	-1.1091267728	-1.1753624627	 3.1883150437	 0.127714
+H	-1.431958712	 0.4842001999	 3.7218813023	 0.137608
+H	-2.7788145728	-0.6318614308	 3.4166301341	 0.121355
+H	-3.7690187824	 1.0800679446	 1.9208939246	 0.125293
+H	-2.4003926689	 2.1916841631	 1.9847565248	 0.151585
+H	-3.3808764434	 2.2203899932	-2.1256551844	 0.195165
+19
+0 4663	2.2722682	1.3815259	0.9299233	1.922	77.77	-0.2504	-0.0279	0.2225	1285.2762	0.154064	-422.577425	-422.56764	-422.566696	-422.613204	34.744
+C	 0.7369640646	-0.7462479972	 0.5078132949	-0.383512
+C	 0.5173942911	 0.7239349437	 0.1602333584	-0.277774
+C	 1.7539135419	 1.3878432304	-0.4090968762	 0.292021
+O	 2.7940806136	 0.7781693581	-0.5575713245	-0.326513
+C	 1.7023804799	 2.8489352227	-0.8063185237	 0.143589
+C	 3.0351639211	 3.6118603222	-0.6350803938	-0.278549
+C	 2.6173429569	 3.2282322363	-1.9922733515	-0.278584
+C	 0.4943160583	 3.7000234873	-0.6747751429	 0.093718
+O	-0.5864126105	 3.3731950462	-0.2489882441	-0.276695
+H	 1.5324060256	-0.8619822862	 1.248479267	 0.127853
+H	-0.1806173278	-1.180726669	 0.913931965	 0.110543
+H	 1.0311993819	-1.3205048801	-0.3744415067	 0.127841
+H	-0.3005018216	 0.857270923	-0.557981542	 0.138014
+H	 0.1900162031	 1.3059292152	 1.0301316223	 0.13798
+H	 2.9643697273	 4.6504984458	-0.3311434139	 0.130653
+H	 3.8126039362	 3.0267757125	-0.1597214635	 0.157035
+H	 2.2447434401	 3.9898444297	-2.6684974704	 0.130636
+H	 3.1068895543	 2.3788237592	-2.4522033008	 0.157042
+H	 0.669236104	 4.7455602303	-1.0246940238	 0.074703
+19
+0 4664	2.7588763	1.3519317	1.1217498	1.7484	76.43	-0.2444	-0.02675	0.21765	1162.0093	0.155365	-422.507665	-422.498788	-422.497843	-422.54226	32.437
+C	 1.0484564274	-0.7095090611	 0.6356893617	-0.394852
+C	 0.7366222645	 0.4136934636	-0.3737555151	-0.280929
+C	 1.7294152782	 1.5518055003	-0.2573570662	 0.238375
+O	 2.6158122107	 1.7599029989	-1.0550894573	-0.314109
+C	 1.5866944528	 2.4668793731	 0.9314637575	 0.347776
+C	 1.1237335764	 3.9540339766	 0.9462698316	-0.243558
+C	 1.2499208028	 3.437940031	 2.3975916983	 0.038283
+C	 2.6134406047	 2.7989830064	 2.0496031684	-0.247057
+O	 0.5760509771	 2.1811998211	 1.9841410648	-0.344283
+H	 0.9908478002	-0.3355960243	 1.6605726876	 0.148986
+H	 0.3259894847	-1.5229832402	 0.5270417736	 0.123624
+H	 2.0485397864	-1.119734084	 0.4656885476	 0.12744
+H	 0.7829545288	 0.0401134624	-1.400032857	 0.118911
+H	-0.2693005014	 0.801540472	-0.1772255168	 0.124488
+H	 1.8328879966	 4.7057939787	 0.5953546326	 0.113539
+H	 0.10433628	 4.1204466538	 0.5970752862	 0.113386
+H	 0.9146487491	 3.8953997408	 3.3276986073	 0.103118
+H	 3.4454009556	 3.4562876419	 1.7914206748	 0.113363
+H	 2.9065794554	 1.952761029	 2.6714554705	 0.113499
+19
+0 4665	3.7142604	1.1216718	1.006007	1.791	77.23	-0.26026	0.00838	0.26864	1247.7837	0.157148	-422.539964	-422.531291	-422.530347	-422.574837	31.29
+C	 1.6307471389	-0.0515737953	 0.1816105088	-0.239408
+O	 0.3382978478	-0.3962180182	 0.6947575482	-0.23557
+C	-0.4855490272	 0.6480263355	 0.9273633956	 0.280166
+O	-0.1835245942	 1.7981231029	 0.7267686401	-0.375161
+C	-1.8010339327	 0.1797185093	 1.462661725	 0.284176
+C	-2.0629356458	-0.5567795413	 2.8166072804	-0.248141
+C	-3.4551462641	-0.3914731133	 2.1411684192	-0.055569
+C	-3.0333691373	 1.0650487428	 1.7801439552	-0.248913
+C	-2.7830363934	-0.8467327718	 0.8131740743	-0.24855
+H	 2.1672990299	 0.5902501411	 0.8852255231	 0.139848
+H	 2.1591388211	-0.9954901618	 0.0468369057	 0.131512
+H	 1.5396871693	 0.47559965	-0.7716122589	 0.140182
+H	-1.6685754657	-1.5721346183	 2.8995083518	 0.101019
+H	-1.8802506859	 0.0262728981	 3.723042069	 0.099002
+H	-4.4174988961	-0.717654136	 2.534687819	 0.077931
+H	-3.5318367032	 1.5264882715	 0.9243533541	 0.098716
+H	-2.9248568955	 1.768017242	 2.6092169759	 0.099878
+H	-2.4377211903	-1.88164997	 0.7604877174	 0.101123
+H	-3.2619654857	-0.5298243771	-0.117042294	 0.097758
+19
+0 4666	2.5948045	1.427519	1.0988722	1.9647	76.25	-0.23421	-0.02566	0.20855	1146.4595	0.156798	-422.519383	-422.510737	-422.509792	-422.553354	32.044
+O	 1.1799663879	-0.1096705247	 0.4293119201	-0.407221
+C	 0.4553582545	-0.5933527257	-0.6863655827	-0.171102
+C	-0.565209588	 0.3818848471	-1.2868279059	 0.166014
+O	-1.4777653127	-0.0406212253	-1.9624183924	-0.295228
+C	-0.3691440558	 1.8494229151	-1.0514770631	 0.302314
+C	-0.5200066267	 2.6425519622	 0.2954593544	-0.262771
+C	-0.1570809218	 3.6995009469	-0.7857236588	-0.054436
+C	 0.9221235446	 2.7019840984	-1.2969362962	-0.256942
+C	-1.1746803834	 2.9914149644	-1.7280676818	-0.253528
+H	 0.5847322882	-0.0849014145	 1.1845765997	 0.291948
+H	 1.1981197415	-0.7958788488	-1.4686837334	 0.142857
+H	-0.0627298799	-1.5405665375	-0.485909225	 0.122511
+H	-1.5299814562	 2.689668806	 0.712205384	 0.097893
+H	 0.2324082487	 2.4451179729	 1.0615814614	 0.097143
+H	-0.03917996	 4.77290175	-0.6360857081	 0.07658
+H	 1.2320159358	 2.8070819328	-2.3402751611	 0.096415
+H	 1.7670484248	 2.4976312561	-0.6374585785	 0.110983
+H	-2.2312582611	 3.0653790031	-1.460778116	 0.098814
+H	-1.0232528104	 3.1170184813	-2.8028147167	 0.097758
+19
+0 4667	3.4300863	1.1389552	0.9457393	2.1136	77.44	-0.23867	-0.02007	0.2186	1289.8363	0.155054	-422.532703	-422.52359	-422.522646	-422.567258	32.991
+C	 0.9216103425	-0.8353360389	 0.3335129102	-0.382756
+C	 0.8831689307	 0.4666639699	-0.4607492032	-0.283134
+C	 1.7156650137	 1.5716119191	 0.1615380039	 0.273937
+O	 2.3449039733	 1.4365923249	 1.1914163678	-0.333694
+C	 1.7231356015	 2.8710795512	-0.5562918089	 0.371294
+C	 2.8048446193	 3.9096005985	-0.4360155086	-0.320909
+C	 1.405606772	 4.2756395167	-0.0363727926	-0.154685
+C	 0.5249516066	 4.3746043786	-1.2773909516	-0.097008
+O	 0.954580889	 3.0664514541	-1.7484528094	-0.325028
+H	 0.538735928	-0.6870496256	 1.3465728307	 0.12939
+H	 0.317447307	-1.6037909726	-0.156466728	 0.109351
+H	 1.9456234846	-1.2061757557	 0.4266538123	 0.130874
+H	 1.2360240602	 0.326950391	-1.4920039971	 0.13451
+H	-0.1402135653	 0.846668847	-0.5781148663	 0.12952
+H	 3.4864680157	 3.7422295324	 0.3902118061	 0.147572
+H	 3.239168503	 4.2994891992	-1.3523133487	 0.121271
+H	 1.1334026454	 4.5671991766	 0.9684838471	 0.120331
+H	-0.5480503484	 4.3690966504	-1.0584359052	 0.1163
+H	 0.7548312912	 5.1682156731	-1.9974187288	 0.112865
+19
+0 4668	2.7584915	1.2883727	1.0173187	2.0274	76.68	-0.24116	-0.02185	0.21931	1216.4081	0.155512	-422.52955	-422.520518	-422.519573	-422.564103	32.737
+C	-0.0858676104	-0.0962020055	-0.057076697	-0.389285
+C	 1.0911377214	 0.6549726105	-0.7047424213	-0.28891
+C	 2.1343995334	 1.0711282051	 0.3226264021	 0.288035
+O	 3.2251009842	 0.5367264434	 0.3748663414	-0.333493
+C	 1.775412542	 2.1546947588	 1.2692147849	 0.163971
+C	 2.5837692306	 2.3810756468	 2.5440921853	-0.337427
+C	 2.5724646226	 3.4503945046	 1.5255824231	 0.082442
+O	 1.3959125381	 4.2443738138	 1.5944836918	-0.278114
+C	 0.5669766342	 3.0905809557	 1.2875808527	-0.155778
+H	-0.6086087858	 0.5206629415	 0.6810435975	 0.126497
+H	-0.8143347259	-0.3932500836	-0.816558874	 0.127212
+H	 0.2631788437	-1.0005855525	 0.4499820441	 0.136632
+H	 1.5967283949	 0.0169859352	-1.4334374044	 0.123831
+H	 0.7175064067	 1.5414673988	-1.2313663251	 0.111103
+H	 2.0606793375	 2.5335243534	 3.4838605407	 0.120814
+H	 3.4778304713	 1.7679720616	 2.574730586	 0.150097
+H	 3.4357249716	 3.8489738627	 1.005119879	 0.124959
+H	-0.1966578902	 2.9124903353	 2.0537181865	 0.111392
+H	 0.0884957302	 3.2229092044	 0.3114200965	 0.116023
+19
+0 4669	2.7909095	1.3473798	1.0421415	2.042	76.51	-0.24643	-0.02932	0.21711000000000003	1200.174	0.155363	-422.537082	-422.528033	-422.527088	-422.571392	32.924
+C	 1.5020722685	-0.5948740445	 0.7573031722	-0.395631
+C	 0.6760673883	 0.2667507722	-0.2142794386	-0.274881
+C	 1.2481590805	 1.6517045424	-0.4651628857	 0.263997
+O	 1.6532605782	 2.0015433584	-1.5545659858	-0.313634
+C	 1.2865770538	 2.62987807	 0.6588109027	 0.33786
+C	 1.4891871529	 4.1483761446	 0.5532267794	-0.290804
+C	 2.2210137482	 4.1140957365	 1.939145577	-0.245424
+C	 1.9868764931	 2.600437669	 1.9765266366	-0.034761
+O	 0.5869759623	 2.3648518268	 1.8861126411	-0.279305
+H	 1.4762835338	-0.1867099394	 1.7699685062	 0.138745
+H	 1.0902598703	-1.6072371269	 0.7976206734	 0.125319
+H	 2.5447072091	-0.6718777086	 0.43364966	 0.125487
+H	 0.6076172774	-0.2168195931	-1.1922003564	 0.119754
+H	-0.3376470231	 0.3832177195	 0.1866413115	 0.127441
+H	 2.1503739551	 4.4110821232	-0.2726492854	 0.135925
+H	 0.5668720219	 4.7292470175	 0.4920716243	 0.114035
+H	 3.2767137197	 4.3829581395	 1.8651649977	 0.115999
+H	 1.7586010652	 4.6657975483	 2.7605336637	 0.118082
+H	 2.5947021148	 1.8211026948	 2.4217477161	 0.111793
+19
+0 4670	3.6089021	1.1499378	0.9756337	1.9483	77.57	-0.25566	0.01094	0.2666	1259.94	0.156724	-422.561164	-422.552236	-422.551291	-422.595293	32.285
+C	 1.5660219431	-0.1910360679	 0.2793655744	-0.238385
+O	 0.2318941085	-0.4547944892	 0.7247085603	-0.245503
+C	-0.4934278463	 0.6428969168	 1.0485659477	 0.346572
+O	-0.0632479362	 1.7693312265	 0.9666367387	-0.38435
+C	-1.8413063387	 0.2960625658	 1.5317307765	 0.251549
+C	-2.5689206541	-0.9804061399	 1.1734986607	-0.31941
+C	-2.2366035693	-0.7505856898	 2.607758875	-0.084675
+C	-3.1983802161	 0.2616650669	 3.241270661	-0.223632
+C	-2.8063092515	 1.3115416597	 2.1490300428	-0.293464
+H	 2.1365226866	 0.3324107166	 1.051066985	 0.138542
+H	 2.0090819265	-1.165710477	 0.073152304	 0.129046
+H	 1.5583162102	 0.4235820103	-0.6245658267	 0.139511
+H	-3.5983459084	-0.9082065992	 0.8289363545	 0.110211
+H	-1.964666265	-1.7200903371	 0.6624950604	 0.134048
+H	-1.5632960688	-1.4087602979	 3.1429108511	 0.101856
+H	-4.2478890454	-0.047486945	 3.2751419704	 0.101188
+H	-2.8945042622	 0.5735011702	 4.2422192221	 0.110292
+H	-3.6065647368	 1.6635715691	 1.4910939758	 0.09908
+H	-2.2824749261	 2.1754655611	 2.5590736963	 0.127523
+19
+0 4671	3.5239164	1.0865327	0.9163657	3.6242	77.68	-0.25778	-0.02572	0.23206000000000002	1294.6179	0.15643	-422.547985	-422.539268	-422.538323	-422.581818	32.479
+O	 0.3083194664	-1.427060942	 0.274366107	-0.422047
+C	 0.6805710612	-0.2854312824	 0.9833097062	-0.141703
+C	-0.2243022353	 0.8920549142	 0.6338966997	 0.238197
+O	-1.138673525	 0.7081347816	-0.153645744	-0.359327
+C	 0.0357280107	 2.1923913422	 1.267696614	 0.273289
+C	-0.4892667838	 3.4652119264	 0.6306953617	-0.309118
+C	-1.0353420006	 3.0930717762	 1.9584175794	-0.070851
+C	-0.0410291291	 3.421316799	 3.0771459256	-0.223037
+C	 1.0410813886	 2.5324729011	 2.379192981	-0.31898
+H	-0.4649904302	-1.148323321	-0.2452142601	 0.292463
+H	 0.6281950362	-0.4537663603	 2.0724753808	 0.111441
+H	 1.7237658765	 0.0023829218	 0.7686543513	 0.114059
+H	 0.1906244494	 4.308318904	 0.5311666274	 0.114121
+H	-1.1424481563	 3.2872608031	-0.2158562994	 0.145561
+H	-2.0794420491	 2.8369911533	 2.0897102766	 0.112189
+H	 0.1974279163	 4.4829515793	 3.1943624105	 0.107695
+H	-0.3395302272	 3.0218953224	 4.0479162991	 0.114132
+H	 1.9541007885	 3.0374500482	 2.0489139487	 0.105812
+H	 1.3233609227	 1.6739081032	 2.9916595744	 0.116102
+19
+0 4672	4.0883858	0.9280572	0.7707761	1.1092	80.37	-0.24321	-0.05417	0.18904	1477.7879	0.155544	-422.57497	-422.565516	-422.564572	-422.610344	32.839
+C	-0.126576893	-0.0901808498	 0.0014910496	-0.382002
+C	 1.3926452588	 0.0488535145	-0.0216585034	-0.290907
+C	 1.8726197604	 1.4912116124	 0.0446299301	 0.282157
+O	 1.0978824352	 2.4249045031	 0.1074696294	-0.317734
+C	 3.3443101643	 1.7090165657	 0.029554361	 0.216957
+C	 3.9345468578	 2.9058215565	 0.0803733752	-0.170674
+C	 5.4207146293	 2.7497861997	 0.0458437504	-0.107977
+O	 5.6517765314	 1.3462197052	-0.0312536535	-0.268454
+C	 4.4132646282	 0.6418751504	-0.0441734522	-0.171963
+H	-0.5427099429	 0.3423811271	 0.9147854429	 0.133075
+H	-0.5781303666	 0.439118339	-0.841274519	 0.133247
+H	-0.420114583	-1.1421999937	-0.0503887955	 0.109556
+H	 1.8557857905	-0.4979513533	 0.8124976876	 0.124176
+H	 1.8205793563	-0.405507341	-0.9271221601	 0.124284
+H	 3.4158503694	 3.8537228203	 0.1383368777	 0.133953
+H	 5.8726806987	 3.2569356014	-0.8219896363	 0.116267
+H	 5.9038950579	 3.1652655641	 0.9450645964	 0.116214
+H	 4.3426764972	 0.0343465472	-0.9600902485	 0.109934
+H	 4.37487956	-0.0551517886	 0.8077322183	 0.109892
+19
+0 4673	4.0885043	0.9780063	0.8076643	2.0711	80.56	-0.25001	-0.03297	0.21704	1433.4829	0.157158	-422.604568	-422.595386	-422.594442	-422.639306	32.301
+C	 1.5542738222	 0.0484857783	-0.0642906401	-0.239658
+O	 0.2147441556	-0.2993439032	 0.2969120468	-0.238404
+C	-0.3507760117	 0.4954181792	 1.2347056437	 0.37153
+O	 0.2223454764	 1.4336629157	 1.7407652295	-0.377678
+C	-1.7286089522	 0.0923066728	 1.5667731454	 0.212984
+C	-2.4329831732	-0.8994879146	 1.0094372227	-0.152505
+C	-3.8290547979	-0.9827828519	 1.5674883897	-0.253559
+C	-3.7692542123	-0.0620630937	 2.8158198649	-0.216668
+C	-2.535115617	 0.8505892684	 2.5989938834	-0.297432
+H	 2.2163191681	-0.0028663043	 0.8042559008	 0.138811
+H	 1.8574688863	-0.6788012248	-0.8178889881	 0.129225
+H	 1.5955208814	 1.0617310198	-0.4728788741	 0.13867
+H	-2.063747224	-1.5471008523	 0.2235508408	 0.112558
+H	-4.5526089527	-0.6225369339	 0.8215475609	 0.115739
+H	-4.1293420592	-2.0090697636	 1.8068964786	 0.110561
+H	-4.6918579803	 0.5028858934	 2.9672151111	 0.101878
+H	-3.6168140237	-0.6755141547	 3.7092522003	 0.109206
+H	-2.81322743	 1.8389277314	 2.2103537068	 0.114686
+H	-1.9692852658	 1.0345329482	 3.516488437	 0.120056
+19
+0 4674	4.0589484	0.9268014	0.7710956	3.9989	80.72	-0.25788	-0.05838	0.1995	1461.2035	0.156899	-422.58966	-422.580717	-422.579773	-422.623999	32.45
+O	 1.0432561062	-0.8833535201	 0.0266556973	-0.423481
+C	 0.7070645805	 0.4664786361	 0.1138517793	-0.136809
+C	-0.2387537255	 0.7220665256	 1.2818642928	 0.243957
+O	-0.5589847118	-0.2240317773	 1.9839779988	-0.346977
+C	-0.7201047136	 2.0972318276	 1.5126081724	 0.254696
+C	-1.5752546776	 2.4208675213	 2.4937074049	-0.12003
+C	-1.9396290538	 3.8780292762	 2.4806490485	-0.257321
+C	-0.9026742296	 4.4949503302	 1.505699523	-0.214922
+C	-0.3723403723	 3.3069195099	 0.6610310717	-0.329838
+H	 0.5771557815	-1.2978280554	 0.7725824084	 0.292235
+H	 1.6022650375	 1.097820609	 0.2505390076	 0.112878
+H	 0.2235983059	 0.8226218786	-0.8119182941	 0.112671
+H	-1.9823631042	 1.7004818932	 3.1937754122	 0.125366
+H	-2.9717431031	 4.0010972453	 2.1209170937	 0.121558
+H	-1.9129535008	 4.3311632148	 3.4777205662	 0.117396
+H	-1.321559772	 5.2947689145	 0.8911361183	 0.1064
+H	-0.0787870622	 4.9273702449	 2.0814925911	 0.113891
+H	-0.8743342105	 3.2482222218	-0.3144343978	 0.115411
+H	 0.6984626053	 3.3960068437	 0.4506169955	 0.112918
+19
+0 4675	2.9301278	1.2496577	1.0547342	2.5635	75.96	-0.23617	-0.01882	0.21735	1205.9714	0.155549	-422.500618	-422.491802	-422.490858	-422.535771	31.986
+C	 0.2132596648	-0.4257105733	-0.1807277119	-0.3905
+C	 0.7251105211	 0.9094426455	 0.3941042735	-0.278002
+C	 2.2234185573	 1.0501735879	 0.1974424227	 0.352702
+O	 3.0113266362	 0.8211304927	 1.0892215684	-0.31547
+C	 2.7846702963	 1.4515634179	-1.1624687196	-0.071321
+C	 1.9029182911	 1.8650447686	-2.374068149	 0.02092
+C	 3.0927567753	 2.6656254459	-2.9554855703	-0.224868
+C	 2.9517697517	 2.9766562085	-1.4484276467	 0.054183
+O	 1.4856762514	 3.088482424	-1.6410023048	-0.311063
+H	 0.6998261427	-1.2738272697	 0.310315506	 0.133262
+H	-0.8652763092	-0.5164918671	-0.0251442163	 0.126434
+H	 0.4008095469	-0.5067591157	-1.256204023	 0.118394
+H	 0.2204560283	 1.7493870946	-0.0893955958	 0.135807
+H	 0.5346002296	 0.9458871745	 1.4700732577	 0.115387
+H	 3.6690171867	 0.8469458304	-1.3797824405	 0.099205
+H	 1.1262171818	 1.304815538	-2.8944136359	 0.102582
+H	 3.9749230213	 2.1171905077	-3.2929376669	 0.104863
+H	 2.8102132288	 3.4839563385	-3.6180381318	 0.115867
+H	 3.4424463179	 3.7315009513	-0.8349472559	 0.111617
+19
+0 4676	3.8435184	1.1200986	1.0082229	1.773	76.65	-0.26243	0.01313	0.27555999999999997	1241.2236	0.157238	-422.535687	-422.527165	-422.52622	-422.570233	30.902
+C	 1.5761788543	 0.0564257369	-0.1699661303	-0.240956
+O	 0.2228613691	-0.2458285519	 0.1944784131	-0.224987
+C	-0.2780649502	 0.4927186104	 1.2083621072	 0.391122
+O	 0.3497849303	 1.3514159217	 1.7768196551	-0.369535
+C	-1.7158857804	 0.1497074783	 1.5166522836	-0.072599
+C	-2.0499422639	-0.5638670561	 2.8677279201	-0.037789
+C	-3.4192746937	-0.9325725453	 2.2269324284	-0.227649
+C	-2.3540219521	-1.2148790642	 1.125142316	-0.048912
+C	-1.4942747302	-1.8783207316	 2.2439350039	-0.220836
+H	 2.2506748631	-0.1163146837	 0.672540017	 0.139992
+H	 1.8176301198	-0.6119225842	-0.9965369092	 0.131772
+H	 1.6671814327	 1.1001886349	-0.4808803331	 0.141024
+H	-2.3250320697	 1.0378617633	 1.3177377218	 0.09617
+H	-1.8649916023	-0.1681200128	 3.8661309327	 0.084479
+H	-3.9272952902	-1.8060210277	 2.6431201357	 0.093733
+H	-4.1166426652	-0.1105554937	 2.0434379445	 0.091934
+H	-2.5264838684	-1.5861745284	 0.1153269109	 0.078313
+H	-1.8829476236	-2.8101671154	 2.6627704084	 0.091306
+H	-0.4186658993	-1.9416667906	 2.071149814	 0.103419
+19
+0 4677	2.8971225	1.2517232	1.0119682	1.8764	76.05	-0.23358	-0.02084	0.21274	1215.7746	0.156614	-422.515289	-422.506615	-422.50567	-422.550346	31.766
+O	 0.981055231	-0.1072206227	 0.5284556138	-0.404205
+C	 0.4136494142	-0.5978547443	-0.6711426262	-0.163099
+C	-0.4569109551	 0.3967423562	-1.4555158833	 0.27732
+O	-1.1769928054	-0.0177091733	-2.3378801613	-0.304327
+C	-0.3375375305	 1.8542266789	-1.0885952689	-0.03675
+C	-1.0158296513	 2.9472093861	-1.9628986819	-0.05263
+C	-0.0307510973	 3.962676318	-1.3086353524	-0.22248
+C	 0.8342850576	 2.7249869036	-1.6815917528	-0.051483
+C	 0.0825572431	 2.7064323071	-3.0440099753	-0.220749
+H	 0.3004103839	-0.1107476995	 1.2080598437	 0.29102
+H	 1.2548662427	-0.8561471333	-1.3272371558	 0.143548
+H	-0.1684871894	-1.5182225404	-0.5291491054	 0.122469
+H	-0.4430585557	 1.9741806981	-0.0053116518	 0.069812
+H	-2.0858332987	 3.0715316869	-2.1271179997	 0.07971
+H	 0.1677719881	 4.876361634	-1.8749244518	 0.093171
+H	-0.1632056044	 4.1697527156	-0.2429731328	 0.089383
+H	 1.8991493026	 2.5793161975	-1.4983030127	 0.082015
+H	 0.2903838863	 3.5480427074	-3.7099098756	 0.089926
+H	 0.0386036984	 1.7654173241	-3.5908826697	 0.117348
+19
+0 4678	5.1257252	0.8330658	0.8011941	1.9719	77.89	-0.23784	-0.01286	0.22497999999999999	1490.1092	0.155304	-422.529393	-422.520337	-422.519393	-422.563994	32.522
+C	 1.0478916694	-0.9474660302	 0.2674517586	-0.377925
+C	 0.8988521611	 0.3513082011	-0.5194446473	-0.291052
+C	 1.5129487126	 1.5583284855	 0.1744187932	 0.370657
+O	 2.0414955917	 1.4807477613	 1.2673368726	-0.338268
+C	 1.4539846693	 2.8455742265	-0.5710135147	-0.171185
+C	 1.5067614145	 4.1076694525	 0.2886614702	-0.123765
+C	 1.5131146765	 5.3233550192	-0.6301008911	-0.109229
+O	 2.653589963	 4.7935092727	-1.3704504817	-0.288426
+C	 2.7184185568	 3.6946167408	-0.4739740126	 0.127275
+H	 0.5818834054	-0.8616464231	 1.2521907089	 0.132166
+H	 0.5812012581	-1.7793230084	-0.2673642977	 0.109281
+H	 2.1020828227	-1.1868552711	 0.4287170042	 0.131046
+H	 1.3530125152	 0.2709167451	-1.5170728568	 0.124786
+H	-0.1589621506	 0.5831714062	-0.7098594256	 0.123376
+H	 0.9136717501	 2.8604594976	-1.5136306189	 0.093008
+H	 1.3024980764	 4.0683503441	 1.3486549719	 0.125368
+H	 0.6417153255	 5.4935809464	-1.2720550501	 0.112514
+H	 1.7919440752	 6.2515306101	-0.1205920306	 0.121761
+H	 3.6805993671	 3.2933610236	-0.1820275025	 0.12861
+19
+0 4679	4.2252539	0.9551901	0.8901717	2.3466	77.68	-0.25781	0.0165	0.27431	1374.5995	0.156854	-422.556967	-422.548086	-422.547142	-422.591141	31.899
+C	 1.5625790308	-0.0554127415	 0.2483735527	-0.237669
+O	 0.2834015248	-0.3688246812	 0.8084663497	-0.237617
+C	-0.500851488	 0.7005580787	 1.0866422523	 0.430406
+O	-0.1598546691	 1.8401553024	 0.8828640393	-0.381938
+C	-1.8097131794	 0.304199657	 1.6638966521	-0.135932
+C	-1.8642817643	-0.9099044232	 2.5743399358	-0.04563
+C	-3.2600577717	-1.0055007483	 3.2015511952	-0.24268
+C	-3.8729713388	-1.0802222859	 1.7607095423	-0.242683
+C	-2.4567008119	-0.9821687815	 1.1816748603	-0.045644
+H	 2.1438691642	 0.5656956285	 0.9346784692	 0.139883
+H	 2.0587679745	-1.0127003458	 0.0867071819	 0.129615
+H	 1.4500538962	 0.4816326612	-0.6969323992	 0.139889
+H	-2.4301929368	 1.1681734317	 1.8830323792	 0.101927
+H	-0.9510276118	-1.3510162636	 2.9510259406	 0.100889
+H	-3.4103324346	-1.9314897664	 3.7605099335	 0.109824
+H	-3.5642033344	-0.1636023645	 3.8310890049	 0.103325
+H	-4.344551218	-2.0453808114	 1.5643612118	 0.109821
+H	-4.5679941071	-0.2859749096	 1.4713460414	 0.103325
+H	-2.0769877745	-1.4883716065	 0.304133117	 0.10089
+19
+0 4680	3.1253412	1.0362406	0.8927963	1.9343	77.4	-0.237	-0.01895	0.21805	1353.0372	0.156319	-422.538428	-422.529452	-422.528507	-422.573015	32.635
+O	 0.7802875973	-0.2533639476	-0.7054964753	-0.402021
+C	 0.5255363169	-0.5820075581	 0.6472188598	-0.164189
+C	-0.1773879895	 0.5070917954	 1.4697399542	 0.297438
+O	-0.8008320353	 0.1991354167	 2.4662750849	-0.330092
+C	-0.0290875727	 1.9104716115	 1.0061302834	-0.134093
+C	-0.0336721632	 2.9605721674	 2.1079188213	-0.026761
+C	 0.2604030685	 4.3369333123	 1.501515926	-0.247783
+C	-1.0042437036	 4.1711304885	 0.5894620277	-0.247031
+C	-1.2479049611	 2.8004978134	 1.229674071	-0.033574
+H	-0.0618309115	-0.2281598178	-1.1707109828	 0.291157
+H	-0.0507554906	-1.5092893576	 0.763654302	 0.121154
+H	 1.5061523372	-0.752641126	 1.10948379	 0.14055
+H	 0.5838583118	 2.0564932535	 0.122712818	 0.099625
+H	 0.1000071112	 2.6468524658	 3.1352084497	 0.107134
+H	 0.1455622045	 5.1502934606	 2.2212866298	 0.110994
+H	 1.226283234	 4.4481453658	 0.9991671712	 0.102329
+H	-1.784865195	 4.895564745	 0.832011708	 0.111101
+H	-0.8436233855	 4.1799388926	-0.4931388858	 0.099817
+H	-2.1991211533	 2.3432367586	 1.4712855869	 0.104247
+19
+0 4681	4.0180147	0.8307109	0.8045323	3.8159	77.62	-0.24672	-0.02573	0.22099	1488.8008	0.154492	-422.582533	-422.57289	-422.571946	-422.618757	33.904
+C	 2.5737277899	-0.888024892	-1.1046555279	-0.384901
+C	 1.4364382186	-0.2330072537	-0.2975851481	-0.274534
+C	 1.7350915975	 1.2340767774	-0.0320270038	 0.379865
+O	 2.2148187187	 1.6101799588	 1.0147460214	-0.315444
+C	 1.3894959679	 2.2187775464	-1.1361977878	-0.102218
+C	 0.0178185963	 2.964944666	-0.9138916268	-0.351309
+C	 0.7716824526	 4.2766645327	-1.2000091196	 0.401294
+O	 0.4136662085	 5.3788694286	-1.4920737518	-0.285308
+C	 2.1329500926	 3.584907655	-1.0989399549	-0.351992
+H	 2.3510233165	-1.9421692649	-1.2901233984	 0.129076
+H	 2.7147009931	-0.4014196494	-2.0751286657	 0.124764
+H	 3.5182464381	-0.829961872	-0.5563498619	 0.139996
+H	 0.4933386606	-0.3239332147	-0.8495653049	 0.109853
+H	 1.3259971032	-0.7338426379	 0.667579827	 0.125063
+H	 1.4149951687	 1.74029204	-2.1173691225	 0.088135
+H	-0.8156529103	 2.7231078221	-1.5767298539	 0.13348
+H	-0.3206890133	 2.9163822403	 0.1264932263	 0.146306
+H	 2.8642787955	 3.8074168046	-1.8786431519	 0.128664
+H	 2.5869660751	 3.7376741227	-0.1131753747	 0.159211
+19
+0 4682	2.6839919	1.0061885	0.8325197	1.0528	78.56	-0.25125	-0.04424	0.20700999999999997	1426.52	0.154649	-422.577651	-422.567747	-422.566803	-422.613767	34.179
+C	 1.4901060716	-0.8561838579	-0.3108472294	-0.387235
+C	 0.666003668	 0.410967778	-0.0165611184	-0.279929
+C	 1.5253269338	 1.6635765264	-0.0423923295	 0.378748
+O	 1.8225093532	 2.2666346503	 0.9678167652	-0.331195
+C	 2.0022309962	 2.1218648236	-1.3871601583	-0.108134
+C	 2.158351977	 3.5976120379	-1.6094269672	-0.274163
+C	 3.4004444072	 2.7599300698	-1.4420747165	-0.102024
+C	 4.2179747515	 2.4732481595	-2.6468875799	 0.132215
+O	 3.7600098733	 2.3150769269	-3.7546689869	-0.268064
+H	 2.2762704878	-0.9912448911	 0.4378627958	 0.134788
+H	 0.8473303797	-1.7403517116	-0.2902426665	 0.128535
+H	 1.9645441202	-0.8113890574	-1.29586757	 0.130435
+H	-0.1308296909	 0.5099427263	-0.7644489628	 0.11601
+H	 0.2052144013	 0.3469501141	 0.9721746694	 0.123232
+H	 1.7421946519	 1.5255337677	-2.2540725732	 0.114174
+H	 1.9577032197	 3.9670971431	-2.6081344519	 0.142967
+H	 1.8974996064	 4.2418652663	-0.7781831478	 0.14523
+H	 3.9164069882	 2.8313966635	-0.4915649201	 0.119085
+H	 5.313354874	 2.4122518346	-2.468226332	 0.085325
+19
+0 4683	4.6251662	0.9004241	0.8554048	2.0782	75.42	-0.24359	-0.01627	0.22732	1407.6083	0.154953	-422.533945	-422.524782	-422.523837	-422.569133	32.684
+C	 0.2925003187	-0.3528875799	-0.7634032507	-0.378484
+C	 0.9996495219	 0.2877948992	 0.4279006992	-0.282208
+C	 1.6950377391	 1.6000195762	 0.0939339868	 0.360641
+O	 1.7813775641	 2.0160116915	-1.0418381046	-0.313319
+C	 2.261928777	 2.3765814636	 1.2624327694	-0.124852
+C	 1.2340015248	 3.4478410606	 1.8236563428	-0.268489
+C	 2.236828881	 4.5376608405	 1.4246467512	 0.046439
+O	 3.4708691053	 4.2568699532	 2.0934923282	-0.252882
+C	 3.1803709438	 3.5511526656	 0.8835022758	 0.032813
+H	-0.1595512748	-1.3068779915	-0.4784942718	 0.111048
+H	-0.4949095266	 0.3003963098	-1.148958306	 0.12804
+H	 0.995086107	-0.5298599694	-1.5810970448	 0.135544
+H	 0.306864802	 0.4690023214	 1.2613217816	 0.121783
+H	 1.7649700977	-0.3850097998	 0.8414821952	 0.126581
+H	 2.6726731014	 1.7092985889	 2.0253366122	 0.091762
+H	 0.314195386	 3.4833018523	 1.2342635727	 0.120681
+H	 0.9943282072	 3.3833351075	 2.8872333805	 0.116308
+H	 2.0446532188	 5.5662723364	 1.1445527427	 0.109239
+H	 3.8883269656	 3.6128706936	 0.0674855994	 0.119355
+19
+0 4684	3.1773705	1.1997521	1.0063816	1.4785	75.13	-0.23322	-0.02171	0.21151	1237.2373	0.155236	-422.525009	-422.515961	-422.515017	-422.560057	32.579
+C	 1.9780506048	-0.3601203539	 0.5136906472	-0.38054
+C	 0.7032715751	 0.2275194812	-0.1212560122	-0.265751
+C	 0.9164739523	 1.6775212258	-0.519239078	 0.355281
+O	 1.436915337	 2.0027655061	-1.5620380834	-0.311527
+C	 0.4322848438	 2.7487169036	 0.4548664898	 0.013312
+O	 0.5844038339	 2.3472177544	 1.8477856408	-0.301159
+C	 1.538390496	 3.4020578245	 2.0475929609	 0.105885
+C	 0.9062402889	 4.7399389401	 1.839439934	-0.308698
+C	 1.3694294143	 3.9339493162	 0.6432819441	-0.112671
+H	 2.2187637696	 0.1587025195	 1.444553812	 0.13658
+H	 1.8348321447	-1.4203986865	 0.7398285487	 0.12065
+H	 2.8261268627	-0.2668189856	-0.1705247336	 0.133012
+H	 0.452928754	-0.3260867808	-1.0313914379	 0.121215
+H	-0.1287687368	 0.1487148649	 0.5848798457	 0.117495
+H	-0.6170056952	 2.9795237832	 0.2133533772	 0.106744
+H	 2.4039382289	 3.1885779934	 2.6630290068	 0.109057
+H	-0.1525362365	 4.8711499612	 2.0464141594	 0.118479
+H	 1.5325631297	 5.5946911118	 2.0760746475	 0.120952
+H	 2.0871804028	 4.2718240508	-0.0894534289	 0.121685
+19
+0 4685	4.1739102	1.0037734	0.8974746	1.5053	76.46	-0.26018	0.01365	0.27383	1343.9561	0.156669	-422.555506	-422.546582	-422.545638	-422.591067	31.872
+C	 1.5297146132	-0.1122498771	 0.2069018489	-0.239343
+O	 0.1726649149	-0.3792682081	 0.5803397805	-0.235713
+C	-0.4927477771	 0.662232227	 1.123959418	 0.432477
+O	-0.0017622633	 1.7526651786	 1.280657835	-0.360685
+C	-1.8877315562	 0.2394253607	 1.525151738	-0.123793
+C	-2.8038325439	 1.4264283556	 1.9593036778	-0.256159
+C	-2.8601912463	 0.8580044282	 3.3819103814	-0.026366
+C	-3.3803727031	-0.5513988827	 3.3588106829	-0.286543
+C	-1.9500363607	-0.2989530334	 2.9727157291	-0.034583
+H	 2.1168332965	 0.196236318	 1.0757553015	 0.139139
+H	 1.9149008019	-1.0463875498	-0.202327202	 0.131872
+H	 1.5742587296	 0.6811877723	-0.543550226	 0.140231
+H	-2.2771060919	-0.4524797143	 0.7729154792	 0.091059
+H	-2.2534248827	 2.365774792	 1.8946180829	 0.135519
+H	-3.7597694285	 1.520192068	 1.4346001645	 0.093232
+H	-2.8435923699	 1.4463077895	 4.2907240066	 0.088588
+H	-3.517207871	-1.0162370967	 4.3302003921	 0.113113
+H	-4.1071425085	-0.8611553843	 2.6104125774	 0.105278
+H	-1.119348213	-0.7506288935	 3.5010009023	 0.092677
+19
+0 4686	3.0844493	1.1485738	0.9553757	1.9329	75.53	-0.23578	-0.01491	0.22086999999999998	1266.9051	0.155897	-422.535832	-422.526789	-422.525844	-422.570653	32.825
+O	 1.4062831056	 0.1402805666	-0.157495673	-0.402646
+C	 0.685846046	-0.4262889375	 0.9196087002	-0.167748
+C	-0.415807537	 0.4603276899	 1.5214576091	 0.303818
+O	-1.131882792	 0.010435255	 2.3875418017	-0.302291
+C	-0.5195916222	 1.8766833781	 1.0121862759	-0.082471
+C	 0.6408912643	 2.8019212047	 1.5480302009	-0.240567
+C	-0.4127233814	 3.6666511884	 2.2463054306	-0.028629
+C	-1.4223027305	 4.1754773626	 1.2568593658	-0.297
+C	-1.5359059362	 2.7579386299	 1.7390176996	-0.041588
+H	 0.8679314599	 0.0762821566	-0.9517335884	 0.291221
+H	 0.2347418978	-1.396783393	 0.6703182222	 0.125634
+H	 1.4127659556	-0.61839027	 1.7172527198	 0.146265
+H	-0.6013162311	 1.8591305265	-0.0816516584	 0.069898
+H	 1.2946782878	 2.2756182552	 2.247572566	 0.112266
+H	 1.2614813287	 3.2864687394	 0.7890480995	 0.105722
+H	-0.2963210726	 4.1151230808	 3.2250765222	 0.088333
+H	-2.1612471156	 4.8609586903	 1.6592872161	 0.113778
+H	-1.1297515417	 4.3904493254	 0.2305202289	 0.100689
+H	-2.3975803352	 2.3767007408	 2.2696825712	 0.105317
+19
+0 4687	4.1694114	0.9757782	0.873926	1.5985	77.34	-0.24054	0.01696	0.2575	1366.7665	0.157107	-422.60115	-422.592022	-422.591077	-422.636761	32.082
+C	 1.4963362106	-0.2731084784	 0.0539075804	-0.239655
+O	 0.1490058009	-0.4130111482	 0.5206579892	-0.236503
+C	-0.3890792237	 0.6948432814	 1.0750026099	 0.433273
+O	 0.2017749023	 1.7427375829	 1.1650964776	-0.362465
+C	-1.7846278372	 0.4107706844	 1.5871263597	-0.09877
+C	-2.6554920178	 1.6798473637	 1.7595077917	-0.274159
+C	-3.391876309	 1.4265319179	 3.0517734543	-0.061183
+C	-2.9049293986	 0.3819295811	 3.7171355074	-0.06172
+C	-1.7493231828	-0.2695078312	 2.9975417472	-0.266781
+H	 2.1639370951	 0.0028266546	 0.8742612946	 0.13908
+H	 1.7729308723	-1.2461891409	-0.3523697375	 0.131529
+H	 1.5588512837	 0.4960799275	-0.7200931301	 0.140181
+H	-2.2618707555	-0.2834317313	 0.8913528302	 0.099623
+H	-2.0193820321	 2.5707725574	 1.8292640913	 0.135647
+H	-3.3255179269	 1.8350511195	 0.906512886	 0.103975
+H	-4.1984201217	 2.0656634053	 3.3935776437	 0.09407
+H	-3.245866393	 0.0390823281	 4.6877777488	 0.093062
+H	-0.8040839942	-0.0693167637	 3.5214132391	 0.117188
+H	-1.8372767724	-1.3581751102	 2.9233221866	 0.113607
+19
+0 4688	2.9504417	1.1051082	1.0203237	3.4434	76.16	-0.25256	-0.02617	0.22639	1247.257	0.156879	-422.585191	-422.576312	-422.575367	-422.619987	32.293
+O	 1.050917403	-0.8509999493	 0.0087713183	-0.421627
+C	 0.7712513688	 0.5135820427	 0.1154599933	-0.134882
+C	-0.2333317789	 0.7785107445	 1.2374967433	 0.347854
+O	-0.6479810699	-0.172492815	 1.8694392085	-0.333017
+C	-0.6873103391	 2.1963285674	 1.5378048028	-0.077099
+C	-1.3565224405	 2.8723500225	 0.2958753746	-0.287401
+C	-0.3233645784	 3.8665497003	-0.1746249674	-0.053019
+C	 0.6790321054	 4.0043428678	 0.6900466226	-0.053016
+C	 0.5125421354	 3.129344269	 1.9081857336	-0.287414
+H	 0.5108426229	-1.267266162	 0.7008315555	 0.291262
+H	 1.6864688849	 1.0926603814	 0.3142648838	 0.118101
+H	 0.3635212705	 0.9107955921	-0.8271261926	 0.118096
+H	-1.3901984271	 2.1057299069	 2.367129795	 0.100007
+H	-1.6390798398	 2.1472121174	-0.4761668906	 0.115312
+H	-2.2870687938	 3.3768405833	 0.5863499118	 0.119901
+H	-0.4332830121	 4.4197355493	-1.1006046186	 0.100867
+H	 1.5136804131	 4.6873729755	 0.5788191701	 0.100863
+H	 1.4191190456	 2.5677040461	 2.1619036045	 0.115311
+H	 0.27463977	 3.72907091	 2.7961841216	 0.119901
+19
+0 4689	2.3654909	1.3975549	1.012147	1.8895	77.27	-0.24544	-0.03906	0.20638	1224.9563	0.154942	-422.582508	-422.572934	-422.57199	-422.618622	33.682
+C	 2.8881691032	-0.2240876657	 0.227043984	-0.398024
+C	 1.4070701313	-0.0513166285	-0.1629194233	-0.271312
+C	 0.9716973054	 1.405447301	-0.1336714704	 0.36718
+O	 0.8784031172	 2.0684718644	-1.1420322301	-0.302349
+C	 0.6884413698	 2.0243327764	 1.2377704624	-0.222678
+C	-0.0015960139	 3.4166323043	 1.193185944	-0.239261
+C	 1.3350777792	 4.1243578012	 1.5683127263	-0.323416
+C	 1.9333480451	 2.747592039	 1.8484419933	 0.398527
+O	 2.9169259132	 2.3513405064	 2.3994653565	-0.286033
+H	 3.0911570374	 0.1553337557	 1.2314387941	 0.15801
+H	 3.1606352288	-1.2825447787	 0.1941053159	 0.120804
+H	 3.5340071238	 0.3139227516	-0.4732328014	 0.131811
+H	 1.2394310457	-0.4169451242	-1.1794661285	 0.122434
+H	 0.7773931341	-0.6318883433	 0.5213850574	 0.108309
+H	 0.2717031814	 1.274120116	 1.9149288563	 0.106441
+H	-0.3957398961	 3.6711292466	 0.2104291435	 0.134726
+H	-0.7766966879	 3.5278002567	 1.952565972	 0.11175
+H	 1.8231082196	 4.5982561669	 0.7099369705	 0.150205
+H	 1.3447056026	 4.8236246244	 2.4078777775	 0.132874
+19
+0 4690	3.1753635	1.09478	0.9572103	2.7764	77.4	-0.22637	-0.01814	0.20823	1304.1182	0.155412	-422.576033	-422.566748	-422.565804	-422.611311	32.831
+C	 0.9028625108	-0.8169628025	 0.4409708003	-0.381723
+C	 0.8919633537	 0.4186279305	-0.4544520336	-0.276018
+C	 1.785258643	 1.5321527496	 0.0534133084	 0.346799
+O	 2.4619684054	 1.4448515951	 1.0517561306	-0.313618
+C	 1.7940048565	 2.8528786116	-0.74292746	-0.005338
+O	 1.2458861448	 2.7139849616	-2.0490449574	-0.270624
+C	 0.1512830114	 3.6153707884	-2.2327552469	-0.11878
+C	 0.0006525891	 4.3155032517	-0.9121157176	-0.095931
+C	 0.9355471739	 3.8943617134	-0.0686727383	-0.089516
+H	 0.5570652468	-0.5744252828	 1.4493436713	 0.127801
+H	 0.255278471	-1.5969944628	 0.0311002832	 0.108914
+H	 1.914203062	-1.2208128397	 0.5352844272	 0.131378
+H	 1.2059695803	 0.1877019357	-1.47996897	 0.138923
+H	-0.1200274255	 0.8309791719	-0.5674016056	 0.122683
+H	 2.8466367893	 3.1697588726	-0.8026539958	 0.110988
+H	 0.376601556	 4.3122239708	-3.054977797	 0.112573
+H	-0.747983275	 3.0511873194	-2.5226341221	 0.110562
+H	-0.7625849131	 5.0583111638	-0.7190028313	 0.113828
+H	 1.1012711596	 4.2036876218	 0.9540807446	 0.127099
+19
+0 4691	4.0664473	0.9912872	0.8742509	1.5394	78.08	-0.24119	0.00698	0.24817	1370.2877	0.157074	-422.600863	-422.59171	-422.590766	-422.636205	32.119
+C	 1.5317498262	-0.1713459162	 0.1878325782	-0.239661
+O	 0.1958433348	-0.3958588122	 0.6550750363	-0.236858
+C	-0.4801948794	 0.7112145802	 1.0298443667	 0.438416
+O	-0.0181895075	 1.8223607926	 0.9676252277	-0.356538
+C	-1.8613398444	 0.3330680907	 1.5478525564	-0.143827
+C	-2.7893772311	 1.5521422576	 1.7721863115	-0.236104
+C	-3.4898237842	 1.3128954205	 3.1358633019	-0.256979
+C	-2.6591537446	 0.2264192314	 3.771412223	-0.057906
+C	-1.7879328555	-0.3121117063	 2.9226080888	-0.073439
+H	 2.1422758702	 0.2897169752	 0.9685178278	 0.140131
+H	 1.9246960672	-1.1541703247	-0.073082682	 0.131778
+H	 1.52932479	 0.4842719883	-0.686589393	 0.140573
+H	-2.2739610058	-0.3874536931	 0.8288648643	 0.101633
+H	-2.1662693871	 2.448337124	 1.8133894586	 0.13546
+H	-3.4990479885	 1.683631162	 0.9523948342	 0.099804
+H	-3.5356416415	 2.2222314411	 3.7458941265	 0.108469
+H	-4.5289373447	 0.977976253	 3.011242269	 0.106753
+H	-2.7997895478	-0.0922982736	 4.7986927745	 0.095292
+H	-1.1075115462	-1.1284564306	 3.1332668096	 0.103002
+19
+0 4692	2.8488811	1.1661241	0.9203374	2.0491	76.93	-0.23037	-0.01522	0.21514999999999998	1292.8409	0.156295	-422.579852	-422.570582	-422.569638	-422.615087	33.067
+O	 1.4093552472	 0.1907273044	-0.2575761508	-0.402414
+C	 0.7326427983	-0.4506584899	 0.8075776489	-0.163731
+C	-0.4285673459	 0.3413011986	 1.430147053	 0.305692
+O	-1.2363161427	-0.2359914707	 2.1213353123	-0.299263
+C	-0.4751682393	 1.8377689038	 1.1686143971	-0.110901
+C	 0.7346303687	 2.60217317	 1.7967586877	-0.225268
+C	 0.1528973479	 3.9677559095	 2.2406425773	-0.255151
+C	-1.3299951994	 3.6951452352	 2.3371793758	-0.079466
+C	-1.6698187852	 2.5426175431	 1.7654821181	-0.054136
+H	 0.8616062963	 0.1259765981	-1.0456130486	 0.291745
+H	 0.3532961803	-1.4453469789	 0.5387178847	 0.124267
+H	 1.4766541211	-0.6000500808	 1.5999348882	 0.143978
+H	-0.4489454609	 1.9706763181	 0.0759746324	 0.082982
+H	 1.0845948797	 2.0581443231	 2.6808497698	 0.109165
+H	 1.5744630081	 2.6818281202	 1.1057202627	 0.118459
+H	 0.5872221205	 4.3153739333	 3.1846021907	 0.106607
+H	 0.3560667239	 4.755080556	 1.5006817244	 0.107243
+H	-2.0230629236	 4.3923381928	 2.7950853185	 0.094733
+H	-2.670757685	 2.1363342942	 1.6944798377	 0.105457
+19
+0 4693	2.0055824	1.2063691	1.0753102	1.9761	77.4	-0.23895	-0.02075	0.2182	1277.5215	0.153583	-422.537215	-422.526746	-422.525802	-422.573139	37.178
+C	 1.1079261128	 2.6630903626	-2.8958400366	-0.396315
+C	 1.5238751106	 2.0429958134	-1.5483755943	-0.146259
+C	 1.5466017906	 0.4919515348	-1.6468519189	-0.284439
+C	 1.5451372744	-0.2995975402	-0.3389460453	 0.327157
+O	 0.7434461628	-1.1864342661	-0.1577865947	-0.292381
+C	 2.627075226	-0.0490219675	 0.721282934	-0.15757
+O	 3.1676943829	 1.2541670865	 0.7818245732	-0.408408
+C	 0.656560189	 2.4971919901	-0.4598331937	 0.320069
+C	-0.0357563805	 2.854322027	 0.4580705935	-0.485402
+H	 1.7848821332	 2.32905428	-3.6881137507	 0.120156
+H	 0.090156252	 2.3647783217	-3.1638515067	 0.131881
+H	 1.1432724389	 3.7545255355	-2.8487491755	 0.129455
+H	 2.5384877772	 2.3749643325	-1.3097313132	 0.131926
+H	 0.673172082	 0.1402451596	-2.2029288645	 0.127885
+H	 2.4411705016	 0.2053077992	-2.2158052453	 0.123761
+H	 2.2167647482	-0.3879058969	 1.6814235534	 0.122183
+H	 3.4639522711	-0.7170614251	 0.4763435997	 0.135609
+H	 2.4611588164	 1.8488408457	 1.0628437207	 0.293422
+H	-0.6677821693	 3.1752016074	 1.2494434848	 0.207271
+19
+0 4694	3.7428396	0.775934	0.7398062	2.2511	78.81	-0.24325	-0.01301	0.23024	1597.5333	0.152633	-422.541579	-422.530749	-422.529805	-422.578418	37.762
+C	 6.9334551863	 1.058293097	 0.8086583675	-0.388924
+C	 5.4280841971	 0.9979756184	 0.5596007292	-0.282287
+C	 4.6906630468	 0.0951962384	 1.5372485035	 0.390498
+O	 5.2742231216	-0.6322689483	 2.3068134815	-0.301116
+C	 3.1615658412	 0.1503059497	 1.5371103974	-0.318458
+C	 2.5364501275	 0.0345014316	 0.1309859473	-0.074871
+O	 3.090740253	-1.0583665594	-0.5964726461	-0.4151
+C	 1.0760417804	-0.0439655412	 0.2137297916	 0.293508
+C	-0.1179312738	-0.1446106642	 0.3091431782	-0.412806
+H	 7.1522452108	 1.4718780167	 1.7969934827	 0.12593
+H	 7.370169703	 0.0578497947	 0.7714540394	 0.137518
+H	 7.4246654414	 1.682502786	 0.0571751902	 0.10969
+H	 4.9742812793	 1.9980893698	 0.5911217779	 0.111488
+H	 5.2157553427	 0.6101971984	-0.4459302547	 0.149141
+H	 2.8007879998	-0.6573554136	 2.1801576984	 0.124828
+H	 2.842045631	 1.0986037548	 1.9887159696	 0.130025
+H	 2.8085373855	 0.9177758086	-0.4578320407	 0.125712
+H	 2.7942624815	-1.8736294663	-0.1753525049	 0.291783
+H	-1.1752569952	-0.2223077412	 0.3765509619	 0.20344
+19
+0 4695	3.6332685	0.8159722	0.7361904	1.4188	79.41	-0.26554	0.01254	0.27808	1604.0955	0.152886	-422.561407	-422.550678	-422.549734	-422.598648	37.096
+C	 0.7126577223	-0.812228018	 0.5617453361	-0.371871
+C	 0.6666580545	 0.4563069513	-0.286276737	-0.302194
+C	 1.9466344886	 1.2626609306	-0.208376737	 0.459153
+O	 2.9174193141	 0.9759500985	 0.4472603117	-0.357701
+O	 1.8562563549	 2.3671381463	-0.9839343724	-0.25686
+C	 3.0145991707	 3.2432544397	-0.9934789381	-0.055117
+C	 3.9701188663	 2.8205650321	-2.1118626283	-0.400904
+C	 2.5271259091	 4.608053617	-1.1545729889	 0.329972
+C	 2.1637499283	 5.7435996236	-1.2984674836	-0.445286
+H	 0.878922652	-0.5734777652	 1.6151224282	 0.133592
+H	-0.2282003508	-1.3626121337	 0.4757889769	 0.113176
+H	 1.5272825215	-1.4673970845	 0.2430642503	 0.13207
+H	 0.4823504875	 0.2292166316	-1.3429186476	 0.133699
+H	-0.1565784742	 1.1144624963	 0.0156536903	 0.136566
+H	 3.5164911932	 3.1334814398	-0.0273394649	 0.140848
+H	 4.3288704935	 1.8064215409	-1.921706825	 0.139892
+H	 3.4618450527	 2.8540370854	-3.078522255	 0.134292
+H	 4.8278327018	 3.497485141	-2.1436798755	 0.133658
+H	 1.836538514	 6.7471483474	-1.4163585001	 0.203014
+19
+0 4696	2.8406826	0.9257559	0.8119922	1.6627	77.87	-0.26198	0.0139	0.27588	1500.9805	0.153461	-422.559766	-422.549044	-422.5481	-422.596892	36.873
+C	 1.4411806906	 0.3734381025	-0.382736378	-0.240904
+O	 0.1696140603	-0.1226198168	 0.0573302702	-0.229571
+C	-0.2611748011	 0.367134241	 1.2353593374	 0.453248
+O	 0.3592354747	 1.1602650697	 1.8982184606	-0.361352
+C	-1.6310154766	-0.1792568309	 1.5877630303	-0.32397
+C	-1.8290523176	-0.3202568364	 3.1118716239	-0.129579
+C	-3.3094962385	-0.5589525376	 3.4639443868	-0.399457
+C	-0.9826224182	-1.3866003746	 3.6465609005	 0.341168
+C	-0.3045965976	-2.2833283245	 4.0722738856	-0.488114
+H	 2.2195926727	 0.1318980005	 0.3450153306	 0.144492
+H	 1.6390632235	-0.1208478471	-1.3338057569	 0.132979
+H	 1.4080422499	 1.4580293532	-0.5138003917	 0.139683
+H	-2.3687918592	 0.5334260541	 1.19709475	 0.129852
+H	-1.7960497749	-1.1291407379	 1.0744751692	 0.131393
+H	-1.5047426237	 0.6261466222	 3.560981202	 0.131816
+H	-3.4388659082	-0.6463746215	 4.5454203067	 0.130071
+H	-3.9247635546	 0.2732958195	 3.1075423806	 0.114954
+H	-3.676622508	-1.4817236614	 3.0044085447	 0.126548
+H	 0.3051505565	-3.0621664342	 4.4583715675	 0.196741
+19
+0 4697	3.4516801	0.5952485	0.5155884	2.11	81.38	-0.23589	-0.01852	0.21736999999999998	2101.1452	0.152785	-422.544655	-422.533269	-422.532325	-422.585198	37.375
+C	 1.5915082406	-0.0917687796	-0.1089498719	-0.497657
+C	 0.1474261517	-0.1047496269	 0.0785253617	 0.123733
+C	-1.0453196342	-0.1074428294	 0.2440435405	 0.008184
+C	-2.4929773256	-0.127826073	 0.4201907259	-0.362642
+C	-3.2072555117	-0.9200047003	-0.6854912106	-0.280421
+C	-4.710360231	-0.9739365103	-0.4888905343	 0.323657
+O	-5.267753292	-0.4871316983	 0.468370505	-0.295713
+C	-5.5396267025	-1.6536452672	-1.5870073739	-0.16502
+O	-4.8039543346	-2.4288096987	-2.5121734263	-0.401545
+H	 2.1135755543	-0.4504459566	 0.7851963337	 0.146165
+H	 1.8914464138	-0.733205322	-0.9452575974	 0.144931
+H	 1.9575957569	 0.918907473	-0.3215252299	 0.146572
+H	-2.7544902318	-0.5584223252	 1.3935694658	 0.1394
+H	-2.8891809429	 0.8941895873	 0.4416773817	 0.138629
+H	-2.9974759722	-0.5033204543	-1.678060722	 0.143568
+H	-2.8232008309	-1.9467873485	-0.7362810604	 0.124133
+H	-6.3503465664	-2.2129586522	-1.1010324566	 0.125723
+H	-6.0143417896	-0.8494467404	-2.1632993334	 0.146197
+H	-4.5777391022	-3.2657536074	-2.0955911475	 0.292105
+19
+0 4698	6.0111116	0.5521326	0.5120713	2.2009	82.87	-0.25486	0.01725	0.27210999999999996	2168.3014	0.153114	-422.563613	-422.552298	-422.551354	-422.604307	36.637
+C	 0.8391780172	-0.8398215481	 0.4146539071	-0.370795
+C	 0.6599730008	 0.5012265038	-0.2925343653	-0.300611
+C	 1.9327788143	 1.3227333948	-0.3227111655	 0.460056
+O	 2.9946523779	 0.9952365286	 0.1460662142	-0.352684
+O	 1.7280000695	 2.4976728529	-0.9553776628	-0.244738
+C	 2.8901711259	 3.354496644	-1.0351175366	-0.233934
+C	 2.5305703363	 4.574635209	-1.7343257937	 0.013171
+C	 2.2661398695	 5.5975572598	-2.3096967988	 0.132324
+C	 1.9398725944	 6.8324790224	-3.0064542154	-0.498839
+H	 1.1567789895	-0.6968676693	 1.4505432087	 0.13254
+H	-0.0997266138	-1.4002487682	 0.4143483139	 0.112142
+H	 1.6034676009	-1.4443284	-0.0801145202	 0.13257
+H	 0.325801462	 0.3695033356	-1.3284224372	 0.134036
+H	-0.1160404825	 1.1095776255	 0.1868127851	 0.134028
+H	 3.2483526951	 3.5616015006	-0.0206724344	 0.146611
+H	 3.6930806444	 2.8159944199	-1.5505243703	 0.14659
+H	 2.0889893418	 7.7056983617	-2.3621976486	 0.151383
+H	 2.5621730135	 6.9637091497	-3.8982744093	 0.151436
+H	 0.8930944431	 6.8332221974	-3.3293647609	 0.154714
+19
+0 4699	6.7050956	0.5172353	0.4859495	1.7418	82.06	-0.24447	0.01435	0.25882	2243.8233	0.153462	-422.56511	-422.553757	-422.552813	-422.605417	36.537
+C	-6.6909989003	-0.5425359538	 2.1387281799	-0.241823
+O	-5.2582950288	-0.5073875982	 2.155995594	-0.236677
+C	-4.6743107239	-0.208704475	 0.9782296746	 0.450745
+O	-5.2895638102	 0.0182947519	-0.0338712149	-0.354764
+C	-3.166061325	-0.2017756812	 1.1126808039	-0.317619
+C	-2.4683583731	 0.1520096815	-0.2109017503	-0.355351
+C	-1.0150675997	 0.1561194051	-0.0868325173	 0.006476
+C	 0.1822597968	 0.152913457	 0.0403784659	 0.127649
+C	 1.6319525667	 0.1531989782	 0.1779558019	-0.497678
+H	-6.9940444006	-0.7909619679	 3.1558724637	 0.13339
+H	-7.0976123805	 0.4283499414	 1.8444324634	 0.140752
+H	-7.0503258113	-1.2994314001	 1.436828614	 0.140544
+H	-2.8895966812	 0.5057085078	 1.9015986168	 0.141808
+H	-2.8447133075	-1.1853500515	 1.4718284308	 0.142107
+H	-2.7841835254	-0.5593054034	-0.9825214941	 0.140991
+H	-2.8252596461	 1.1301994286	-0.552995766	 0.140439
+H	 1.934108993	-0.027672661	 1.2156012903	 0.145575
+H	 2.0919523287	-0.626033362	-0.4399583188	 0.146611
+H	 2.0616510284	 1.1136638927	-0.1277842975	 0.146825
+19
+0 4700	3.571181	0.6908956	0.5872703	2.3179	79.25	-0.24723	-0.01326	0.23397	1851.6453	0.151941	-422.521931	-422.510981	-422.510037	-422.560007	36.909
+C	-1.6864009958	 3.0892575637	 2.7540455216	-0.382801
+C	-0.6650091124	 2.5341946898	 1.7659527441	-0.26965
+C	-1.2844690784	 1.6613572625	 0.6947399332	 0.342504
+O	-2.4683893616	 1.4254403454	 0.6267196473	-0.30395
+C	-0.3517577981	 1.050039807	-0.3539485438	-0.142815
+O	 0.9867780896	 1.4232130093	-0.127855347	-0.244445
+C	 1.8748750437	 0.8724779213	-1.0842065596	-0.205817
+C	 3.2387090015	 1.2938529167	-0.7966189203	 0.27646
+C	 4.3722959555	 1.6260719791	-0.582341982	-0.406894
+H	-2.216876062	 2.2812821581	 3.2646127037	 0.129684
+H	-1.1945875974	 3.7109513753	 3.5071319	 0.110416
+H	-2.4380081822	 3.6954638441	 2.2416704719	 0.129632
+H	-0.104798612	 3.3312590527	 1.2597748332	 0.134932
+H	 0.1129624057	 1.9420280436	 2.2654695269	 0.134971
+H	-0.4790440171	-0.0447316207	-0.318608879	 0.122275
+H	-0.7021420405	 1.3785366239	-1.3465902539	 0.122256
+H	 1.8141363162	-0.2290241102	-1.0734818939	 0.124416
+H	 1.5909034565	 1.1944386514	-2.1004814858	 0.124401
+H	 5.3734121289	 1.922634437	-0.3878123264	 0.204425
+19
+0 4701	7.1387968	0.5733963	0.5377942	1.796	79.14	-0.26949	0.01469	0.28418	2026.6027	0.153381	-422.561517	-422.550725	-422.549781	-422.599559	36.452
+C	 0.7439118175	-0.8481413808	 0.2761611828	-0.370489
+C	 0.5995689656	 0.5831155241	-0.2349842667	-0.30319
+C	 1.927909682	 1.3032026871	-0.3442799962	 0.444681
+O	 3.0058307267	 0.8403896499	-0.0700528876	-0.348982
+O	 1.7531013128	 2.5644750857	-0.7998430853	-0.247584
+C	 2.9481760765	 3.3471517957	-0.9448728675	-0.05785
+C	 2.5131353712	 4.7180642612	-1.4667872828	-0.356177
+C	 3.6507960284	 5.6084168866	-1.6552166942	 0.28424
+C	 4.6067309253	 6.3213612417	-1.8013429761	-0.439378
+H	 1.2040217159	-0.8651703482	 1.2672688641	 0.133276
+H	-0.2347537951	-1.3315431797	 0.3399985548	 0.112434
+H	 1.3793626225	-1.4387581737	-0.3884120192	 0.133285
+H	 0.1234688686	 0.6120127379	-1.2223354056	 0.132235
+H	-0.0494913703	 1.1799493357	 0.4168495719	 0.132238
+H	 3.4562553282	 3.4300791734	 0.0198758831	 0.133871
+H	 3.6322282924	 2.8536686842	-1.6407843278	 0.133897
+H	 1.9744238659	 4.5860493276	-2.4127524132	 0.141702
+H	 1.7993363294	 5.1593533266	-0.7609241095	 0.141704
+H	 5.4440049867	 6.9606700852	-1.9344922051	 0.200086
+19
+0 4702	6.9700039	0.5458064	0.5125457	2.0955	78.92	-0.26125	0.01422	0.27547	2086.9289	0.153563	-422.557948	-422.547141	-422.546197	-422.595876	36.413
+C	 1.2800339933	 0.7998979478	-0.5058001349	-0.239936
+O	 0.0071149411	 0.3136338297	-0.0619680723	-0.234093
+C	-0.1319246098	 0.1981290618	 1.2750561599	 0.445505
+O	 0.7364041909	 0.4771145407	 2.062750882	-0.353332
+C	-1.511228619	-0.3225611886	 1.6258934459	-0.334994
+C	-1.7217916205	-0.4728375868	 3.1317207628	-0.165541
+C	-3.1303894543	-1.0031775174	 3.4635709629	-0.364434
+C	-3.3558272836	-1.1552971059	 4.8957520221	 0.290251
+C	-3.5186599904	-1.2725127887	 6.0807464772	-0.427336
+H	 2.0827942617	 0.1323531825	-0.1824336609	 0.14073
+H	 1.2235877676	 0.8297807186	-1.5939853384	 0.132866
+H	 1.4732764117	 1.7983167059	-0.105206784	 0.140642
+H	-2.2494861966	 0.3592611964	 1.1852490026	 0.132166
+H	-1.6516678428	-1.2782833346	 1.1053810221	 0.13216
+H	-0.9682030052	-1.1490860315	 3.5453914451	 0.126995
+H	-1.5667826079	 0.4908235385	 3.6253367975	 0.127011
+H	-3.8867675888	-0.3249432818	 3.0459413974	 0.128699
+H	-3.2863720756	-1.9697993772	 2.9657412561	 0.128698
+H	-3.6704559118	-1.3788818693	 7.1260692267	 0.193942
+19
+0 4703	4.3658929	0.5908215	0.5288832	2.2538	78.35	-0.24247	-0.01866	0.22380999999999998	2004.9579	0.152744	-422.537518	-422.526601	-422.525657	-422.575555	37.3
+O	-0.2329079889	-1.7440243185	 1.1635415719	-0.402409
+C	 0.4707067447	-0.7953995702	 1.9418357875	-0.164657
+C	 0.325325406	 0.6644380917	 1.490139966	 0.317374
+O	 0.6633719788	 1.5575077895	 2.2320564709	-0.292006
+C	-0.2118563779	 0.9074458974	 0.0902981883	-0.294988
+C	-0.2055730654	 2.380408022	-0.3111621288	-0.170124
+C	-0.7702669193	 2.5975488601	-1.7287744686	-0.363793
+C	-0.7734779344	 3.9991841771	-2.1300371231	 0.291475
+C	-0.7661333684	 5.1608847331	-2.4382174467	-0.430692
+H	-1.1584010612	-1.7233150634	 1.4246278571	 0.291959
+H	 0.2258335438	-0.845554759	 3.0109570451	 0.125967
+H	 1.5352297458	-1.0466117096	 1.8503464412	 0.145198
+H	 0.3695399266	 0.288833965	-0.6072655914	 0.132595
+H	-1.2253304703	 0.4843982712	 0.0394187988	 0.114333
+H	-0.7874533507	 2.9626446154	 0.4091400665	 0.125584
+H	 0.814190197	 2.7734944779	-0.2592767539	 0.124894
+H	-0.1853391307	 2.0134974086	-2.4520896831	 0.12898
+H	-1.7937520134	 2.20203113	-1.7823551468	 0.126468
+H	-0.7628526621	 6.1848423218	-2.7184754711	 0.193841
+19
+0 4704	2.3376817	1.0642196	0.8014093	1.3003	78.22	-0.24292	-0.02151	0.22141	1458.3102	0.152675	-422.539569	-422.528663	-422.527719	-422.576744	37.838
+C	 0.4684221968	-0.3086057543	-0.823501389	-0.382185
+C	 0.6725383155	 0.7935129939	 0.2116018714	-0.286326
+C	 2.1242011852	 1.1814560335	 0.39718779	 0.377653
+O	 3.0303904716	 0.6297155391	-0.1832550965	-0.306566
+C	 2.4663560255	 2.3619125341	 1.3405025591	-0.326873
+C	 3.0225421992	 3.5253892898	 0.4622040083	-0.057593
+O	 3.4935190768	 4.6138073638	 1.2203098542	-0.407377
+C	 1.3854923599	 2.8041381495	 2.2094181489	 0.346931
+C	 0.4937939209	 3.1790303108	 2.9231373343	-0.456379
+H	-0.5915204733	-0.5619993794	-0.9112173309	 0.112244
+H	 0.8320708813	 0.0035012181	-1.8060750063	 0.129761
+H	 1.0193513665	-1.2108349669	-0.5463608915	 0.132947
+H	 0.1107785859	 1.7033850034	-0.0404265961	 0.132381
+H	 0.282435692	 0.5046870761	 1.1965493561	 0.139707
+H	 3.3041288145	 2.0009564602	 1.9525505112	 0.124394
+H	 3.7953594908	 3.1005944607	-0.1907201542	 0.118973
+H	 2.2177485088	 3.9209791945	-0.1650738446	 0.121251
+H	 4.2808186064	 4.3318392329	 1.6974766642	 0.286816
+H	-0.2906059242	 3.51136248	 3.5572559813	 0.200241
+19
+0 4705	2.2534782	1.0725256	0.9162489	2.58	78.72	-0.24515	-0.0238	0.22135	1408.4717	0.152153	-422.523336	-422.512364	-422.51142	-422.560396	37.466
+C	 0.8851276407	-0.8179485084	 0.2695366418	-0.384951
+C	 0.77962498	 0.5402074745	-0.4183573336	-0.275928
+C	 1.9244646768	 1.4706466907	-0.0798353043	 0.365954
+O	 2.8617147996	 1.1654906571	 0.613858465	-0.302308
+C	 1.8415036319	 2.9081488264	-0.663681316	-0.131498
+O	 1.3218083397	 2.8194153366	-1.9764133332	-0.235568
+C	 1.3473928381	 4.0434635242	-2.6875332978	-0.237352
+C	 1.0165853269	 3.7354658155	 0.2240357374	 0.33915
+C	 0.3218864985	 4.3860949414	 0.9588719924	-0.481532
+H	 0.8864927311	-0.7087628123	 1.3573052807	 0.130026
+H	 0.0442505658	-1.4573340262	-0.0128248971	 0.110963
+H	 1.8129884599	-1.3251515834	-0.0069035247	 0.131886
+H	 0.7521221841	 0.4458703536	-1.510519639	 0.144704
+H	-0.1534447002	 1.0588709461	-0.1611788931	 0.132987
+H	 2.8701445208	 3.2990239003	-0.6734787431	 0.114732
+H	 0.7299725913	 4.808035147	-2.1986434044	 0.125213
+H	 2.3736768826	 4.4275502709	-2.7851301737	 0.112316
+H	 0.9473976311	 3.8374600686	-3.6823704785	 0.133313
+H	-0.2819179289	 4.9688846475	 1.6104728413	 0.207891
+19
+0 4706	2.0219417	1.1312712	0.9512155	1.3308	77.76	-0.23942	-0.03046	0.20895999999999998	1371.59	0.152934	-422.536706	-422.525803	-422.524858	-422.574161	37.728
+C	 2.5768615847	 2.5749501948	 1.024070285	-0.396453
+C	 3.0366320832	 1.1746828118	 1.4307898272	-0.171621
+C	 2.9355546291	 0.1494414869	 0.2843418762	-0.225657
+C	 1.5619783015	-0.0650513676	-0.1672702604	 0.336003
+C	 0.4254367239	-0.266002381	-0.5053779887	-0.487772
+C	 3.524848127	-1.2218078734	 0.6893744037	 0.32412
+O	 3.7807794393	-1.4991117855	 1.8345010796	-0.286678
+C	 3.7631015365	-2.2231612011	-0.4478096355	-0.159903
+O	 4.3172931099	-1.6290998369	-1.6099848584	-0.404468
+H	 2.6658584196	 3.2700052324	 1.8642352745	 0.116163
+H	 3.1808847744	 2.9701757075	 0.1994172886	 0.111866
+H	 1.5323221366	 2.5693522763	 0.6987671201	 0.131407
+H	 4.0786957083	 1.1982165048	 1.7670308654	 0.103755
+H	 2.4514589923	 0.8077017815	 2.2787220747	 0.121877
+H	 3.5196839745	 0.4929407417	-0.5801730573	 0.123799
+H	-0.5762297238	-0.429391756	-0.8182268075	 0.201932
+H	 4.3751232168	-3.041878875	-0.050555138	 0.119165
+H	 2.7917345005	-2.633543254	-0.7453772912	 0.149112
+H	 5.2469530358	-1.4494659871	-1.4368273381	 0.293353
+19
+0 4707	2.5540556	1.0527569	0.8409855	1.4337	78.33	-0.25884	0.00487	0.26371	1444.8289	0.153388	-422.556255	-422.545433	-422.544489	-422.593371	36.989
+C	 2.7140310606	-2.7032025291	-0.3708825584	-0.396327
+C	 3.0234482869	-1.2586631528	-0.7633709712	-0.169931
+C	 2.4689017382	-0.2276494315	 0.2430321574	-0.263621
+C	 1.0108446343	-0.2696967094	 0.3472752367	 0.348308
+C	-0.1890867666	-0.3071085748	 0.4033594665	-0.484806
+C	 2.9005881614	 1.1955021612	-0.1411390247	 0.446646
+O	 3.2891579805	 1.5322330607	-1.2286825178	-0.352899
+O	 2.7884464871	 2.0222361361	 0.9120176456	-0.230497
+C	 3.1229547999	 3.3930518228	 0.6548927509	-0.242161
+H	 3.1505967934	-2.9554597614	 0.6022067765	 0.112724
+H	 1.6352865076	-2.8726725537	-0.3072513985	 0.132677
+H	 3.123749764	-3.3984947532	-1.1092549431	 0.116919
+H	 4.1056478214	-1.1066282115	-0.833930356	 0.107362
+H	 2.6151171136	-1.0288644087	-1.7513033342	 0.125958
+H	 2.8877670735	-0.4256622883	 1.2386242121	 0.126364
+H	-1.2487368077	-0.3388785878	 0.4651011616	 0.200996
+H	 2.9743002857	 3.9159023933	 1.599434929	 0.136091
+H	 4.161696582	 3.4807567534	 0.3267905314	 0.141804
+H	 2.4728057241	 3.8075458947	-0.1194982336	 0.144393
+19
+0 4708	2.137688	1.1635474	0.8008996	2.9912	78.62	-0.25519	-0.03062	0.22456999999999996	1410.0284	0.152821	-422.535131	-422.52441	-422.523465	-422.57153	37.514
+C	 2.7290963252	-2.3144480344	-1.0301568778	-0.420235
+C	 3.2636837174	-1.444961438	 0.1229231762	-0.070205
+C	 4.7785412342	-1.4134260799	 0.0206862202	 0.157567
+O	 5.5370522363	-1.9633637724	 0.7745704898	-0.24761
+C	 2.7045828886	 0.0027405713	 0.0759224333	-0.194716
+C	 3.2269093628	 0.8576242418	 1.2589413134	-0.06865
+O	 2.7782045433	 2.190857629	 1.199070625	-0.418952
+C	 1.2440758635	 0.0290780331	 0.0780906745	 0.291904
+C	 0.0436362429	 0.0851814691	 0.1419082283	-0.445634
+H	 3.1004650893	-3.339361971	-0.9453161519	 0.134369
+H	 1.6370346607	-2.335830653	-1.0120627752	 0.144276
+H	 3.0430252314	-1.9172914559	-2.0022831179	 0.123505
+H	 3.0067925376	-1.9045729055	 1.0826873471	 0.106025
+H	 5.1568015153	-0.8454628274	-0.8645828512	 0.074886
+H	 3.0556809728	 0.4815026367	-0.8497552254	 0.116371
+H	 2.943366968	 0.3672155672	 2.2031584994	 0.103326
+H	 4.3202573012	 0.8991737899	 1.2230050469	 0.121957
+H	 1.813660562	 2.1684853617	 1.203717425	 0.287439
+H	-1.0176867324	 0.1224209679	 0.1713435903	 0.204376
+19
+0 4709	1.9156023	1.3523995	0.8311585	2.5242	78.43	-0.25819	-0.03558	0.22260999999999997	1371.101	0.152628	-422.535825	-422.525168	-422.524224	-422.571998	37.553
+C	 2.7039506571	-2.5473185055	 0.5907946598	-0.39181
+C	 2.952494566	-1.4772797275	-0.4736801852	-0.190857
+C	 2.6717295281	-0.0433999279	 0.0300289216	-0.187977
+C	 1.2572673184	 0.1589751613	 0.3389032606	 0.297368
+C	 0.0891507896	 0.3665638856	 0.5435004071	-0.448865
+C	 3.1099409378	 1.0431358286	-1.0111310064	 0.039874
+O	 2.6448085894	 2.3307150872	-0.683169547	-0.442058
+C	 4.6295271409	 1.155546486	-1.0512004121	 0.145505
+O	 5.3675239336	 0.3290455241	-1.5204786528	-0.242478
+H	 3.3565850338	-2.4020959217	 1.4587291104	 0.117283
+H	 1.6680681502	-2.5258785346	 0.9429102077	 0.127971
+H	 2.9037093777	-3.5447599549	 0.1886855351	 0.119627
+H	 3.9884299094	-1.5175868534	-0.8207459404	 0.137865
+H	 2.3194986974	-1.6648277714	-1.3490737163	 0.106748
+H	 3.2464871529	 0.1285703644	 0.9515672678	 0.11358
+H	-0.9414244269	 0.5209175205	 0.7507320976	 0.205633
+H	 2.7600673282	 0.7175599509	-2.0035474204	 0.100517
+H	 1.7116108323	 2.2527823633	-0.4465832879	 0.290466
+H	 5.0032279839	 2.0919578752	-0.5825317293	 0.101609
+19
+0 4710	2.0860297	1.1936806	0.9853793	3.5083	78.44	-0.24383	-0.01642	0.22741	1316.4676	0.152168	-422.519266	-422.50849	-422.507546	-422.555463	37.222
+C	 1.4628067984	-0.0545290681	-0.0723000296	-0.239532
+O	 0.0646568452	 0.149084281	-0.0123109752	-0.228201
+C	-0.3898599458	 0.758008976	 1.1838827563	-0.095014
+C	 0.0896158975	 2.1416365216	 1.3248060601	 0.338711
+C	 0.4897481188	 3.2686673224	 1.4493090773	-0.451938
+C	-1.932500131	 0.666526644	 1.159930485	-0.096665
+C	-2.4357975063	-0.7698249008	 1.2994280477	-0.410648
+C	-2.4704556964	 1.3468849063	-0.0941449501	 0.171245
+O	-3.3854556399	 0.9235062404	-0.751340824	-0.249941
+H	 1.8099122788	-0.6906136901	 0.7561017725	 0.108345
+H	 1.6671965588	-0.5591811238	-1.0186794981	 0.135465
+H	 2.0132568704	 0.8947805598	-0.0411319988	 0.124038
+H	-0.0251306532	 0.1847691025	 2.0533898287	 0.098365
+H	 0.8409241818	 4.2655184693	 1.5582811639	 0.205002
+H	-2.2910505084	 1.2761669038	 2.0028863516	 0.112325
+H	-2.1691496276	-1.1825337611	 2.2769972599	 0.107831
+H	-3.5209984221	-0.8008231271	 1.1873332804	 0.136482
+H	-1.9985445921	-1.4004475104	 0.5222583429	 0.142384
+H	-1.9665844669	 2.3020816743	-0.3539138706	 0.091746
+19
+0 4711	2.256377	1.2208247	0.9924678	1.5105	76.97	-0.25949	0.03887	0.29836	1274.151	0.153515	-422.504662	-422.494514	-422.49357	-422.539871	36.739
+C	 2.5574348435	 2.6469742309	 0.1219406296	-0.4728
+C	 3.0768654927	 1.3492336951	-0.4545305542	 0.414959
+C	 4.3692433846	 1.3202147184	-1.1570523514	-0.231889
+O	 3.1391515889	 1.3086730867	-1.8851232202	-0.274737
+C	 2.5855430602	 0.042819534	 0.1794940526	-0.247989
+C	 3.1405890439	-0.1656328116	 1.6123799826	-0.064253
+O	 2.7693927613	-1.4153322049	 2.1478649608	-0.418616
+C	 1.1261602127	-0.0524813458	 0.2036931142	 0.303961
+C	-0.070232649	-0.1478059876	 0.2893292292	-0.456935
+H	 2.8783045163	 2.7788283192	 1.1603734279	 0.125307
+H	 2.9288208252	 3.4897900206	-0.4652389918	 0.129856
+H	 1.4639440943	 2.6630512174	 0.1010396639	 0.142204
+H	 4.9557343456	 2.2341901822	-1.2402835451	 0.113987
+H	 4.9468193726	 0.3971368575	-1.2004853879	 0.114207
+H	 2.97194993	-0.7769824287	-0.4376240669	 0.122528
+H	 4.2342158186	-0.1548105345	 1.5745704064	 0.113248
+H	 2.8151954218	 0.6640939142	 2.2575170382	 0.096302
+H	 1.8053762101	-1.457259409	 2.1277523252	 0.287192
+H	-1.1288519435	-0.2283087241	 0.325951507	 0.203469
+19
+0 4712	2.2001739	1.3141242	1.050723	1.5468	77.65	-0.263	0.02891	0.29191	1245.1792	0.152716	-422.487787	-422.4775	-422.476556	-422.523131	36.599
+C	 1.547078432	-0.0796585371	-0.0421112067	-0.236239
+O	 0.1468947151	 0.1169390286	-0.0525466831	-0.236516
+C	-0.3610538898	 0.7312099748	 1.1205628351	-0.124695
+C	 0.1284579129	 2.1068202632	 1.2922685233	 0.34557
+C	 0.5331503616	 3.2307817176	 1.425671784	-0.467159
+C	-1.8866691436	 0.6795947376	 1.0154396856	 0.411482
+C	-2.5045503143	 1.4388623857	-0.1323669917	-0.470503
+C	-2.5630134022	-0.477224419	 1.6144210624	-0.230134
+O	-2.540489685	 0.7901162645	 2.2816342767	-0.278446
+H	 1.8563214299	-0.7174505295	 0.8002222736	 0.106089
+H	 1.8021440299	-0.5796944366	-0.9788760854	 0.130177
+H	 2.0915617615	 0.8714753687	 0.0207101606	 0.123946
+H	-0.0697033166	 0.1496012344	 2.0103083804	 0.096827
+H	 0.8863179475	 4.2246412707	 1.5523321158	 0.202123
+H	-2.10753047	 1.069426155	-1.0816076671	 0.140221
+H	-3.5904233663	 1.3204099134	-0.1255579814	 0.122176
+H	-2.2690578709	 2.5043692027	-0.0547633844	 0.137645
+H	-3.5338241056	-0.7849728895	 1.2293290498	 0.115032
+H	-1.9804090561	-1.2666577353	 2.0875926823	 0.112405
+19
+0 4713	2.2453146	1.3253494	1.0458036	1.8871	78.06	-0.24637	0.03349	0.27986	1241.3157	0.153212	-422.492083	-422.481964	-422.481019	-422.527056	36.884
+C	 1.4472757758	 0.0198275914	-0.1308200221	-0.238045
+O	 0.0425439964	 0.1320882509	-0.0157921808	-0.251208
+C	-0.4101034589	 0.7468682312	 1.1865204388	-0.154263
+C	 0.0490372034	 2.1374387247	 1.3054834588	 0.363506
+C	 0.4369835503	 3.269850563	 1.4125831701	-0.471591
+C	-1.9268699835	 0.6453696034	 1.1372398935	 0.451962
+O	-2.4780593246	 1.2366459703	 0.0005421065	-0.473189
+C	-2.7291713014	 0.7656556818	 2.3885896166	-0.311826
+C	-2.5920131459	-0.5842397698	 1.7063427481	-0.336263
+H	 1.8678125844	-0.5843071974	 0.687369869	 0.107146
+H	 1.6474418452	-0.4814522278	-1.0802938398	 0.129998
+H	 1.9354784076	 1.0026247146	-0.1285985299	 0.125979
+H	-0.0399247624	 0.178256884	 2.0554792179	 0.091273
+H	 0.7652260597	 4.2757525018	 1.5060477229	 0.200072
+H	-1.9950797272	 0.8693950113	-0.7507221419	 0.289883
+H	-2.2110022688	 0.9333253676	 3.3265338315	 0.117005
+H	-3.6781350566	 1.2805539618	 2.2948997318	 0.128664
+H	-1.9806778305	-1.3461756255	 2.1780003675	 0.110587
+H	-3.4532501129	-0.9560748075	 1.1638570115	 0.120313
+19
+0 4714	2.2808204	1.2492534	0.9954771	1.9092	77.14	-0.24776	0.03579	0.28355	1262.9045	0.154136	-422.510092	-422.500124	-422.49918	-422.544778	37.021
+O	 2.6269182276	 2.0499039935	-1.2198850364	-0.423423
+C	 3.1475814997	 1.368571585	-0.0989164702	-0.064856
+C	 2.569016542	-0.0610492391	 0.049054079	-0.240738
+C	 1.1087423538	 0.0036012982	 0.1398733723	 0.279899
+C	-0.0846830753	 0.1086597555	 0.2592706226	-0.455231
+C	 3.1429950571	-0.7732304281	 1.2741908957	 0.427926
+O	 2.8208351471	-0.1581643883	 2.4913810892	-0.47094
+C	 4.5181105068	-1.3602636211	 1.2157484641	-0.314546
+C	 3.304132017	-2.2713478479	 1.2661073136	-0.324978
+H	 1.6719848446	 2.1099902168	-1.0994048514	 0.285205
+H	 4.22759363	 1.2942084299	-0.2545084767	 0.114592
+H	 2.9767366697	 1.91402853	 0.8386712558	 0.107905
+H	 2.8409812586	-0.6266880298	-0.8504912212	 0.110467
+H	-1.1420738755	 0.1728015935	 0.3402070901	 0.203708
+H	 1.8607189632	-0.2013468931	 2.5856403623	 0.285898
+H	 5.0753029242	-1.2912349096	 0.2876715757	 0.117079
+H	 5.1163769475	-1.2744051414	 2.1150807377	 0.128451
+H	 3.0323497924	-2.8252671357	 0.373949825	 0.114799
+H	 3.1102400395	-2.7829189581	 2.2018337728	 0.118781
+19
+0 4715	2.6818887	0.9696804	0.7586677	1.4014	78.35	-0.25908	0.04068	0.29975999999999997	1508.2328	0.153763	-422.503719	-422.493511	-422.492567	-422.539276	36.435
+C	 5.1300800305	 2.2771272439	-1.928224687	-0.422405
+C	 4.3592961423	 1.0486610378	-1.5214519876	 0.078931
+O	 3.1113709326	 0.816978899	-2.1889809744	-0.257376
+C	 3.0835732913	 1.1157318329	-0.7948169463	 0.052678
+C	 2.6318157496	 0.0032623804	 0.1395511289	-0.220652
+C	 3.1774695616	 0.2314379121	 1.5726049499	-0.060417
+O	 2.778874421	-0.7793500752	 2.4686120424	-0.417577
+C	 1.174061079	-0.1034082914	 0.1835373102	 0.300461
+C	-0.0225455221	-0.1708403005	 0.2875997771	-0.451671
+H	 5.9072783086	 2.5056304987	-1.1910302589	 0.124447
+H	 5.6189736184	 2.1214979389	-2.8953931673	 0.133362
+H	 4.4648491351	 3.1401072751	-2.0162733801	 0.130029
+H	 4.9553625018	 0.1425201493	-1.3934239975	 0.091997
+H	 2.6792695787	 2.1012774492	-0.5577470385	 0.099099
+H	 3.0446471603	-0.9420704787	-0.2330094719	 0.121028
+H	 4.2710658317	 0.2106307267	 1.544072124	 0.113556
+H	 2.8677270293	 1.2304770171	 1.9185540803	 0.093923
+H	 1.8147427005	-0.8186312322	 2.4408055808	 0.287155
+H	-1.0813775603	-0.2392912032	 0.3384595458	 0.203431
+19
+0 4716	2.5455126	1.0344116	0.7893116	1.5688	78.7	-0.25268	0.03457	0.28725	1456.3511	0.153386	-422.487679	-422.477425	-422.476481	-422.52334	36.65
+C	 1.3523375968	-0.0528229898	-0.0658608092	-0.238836
+O	-0.0378447775	 0.1806537724	 0.0302885087	-0.235745
+C	-0.4343808287	 0.8291731926	 1.2309793359	-0.087734
+C	 0.1184135192	 2.1889344458	 1.3355948931	 0.350575
+C	 0.5626383679	 3.3034945898	 1.4106651546	-0.474858
+C	-1.9462575374	 0.8391874351	 1.2578924362	-0.047566
+C	-2.6954729196	 0.8404244906	 2.5737672616	-0.299416
+C	-2.6928923402	-0.3864344102	 1.7161269463	 0.100203
+O	-3.9008355023	-0.7224357975	 1.103629205	-0.42529
+H	 1.713272838	-0.6844095539	 0.7612947847	 0.102203
+H	 1.5210062002	-0.5759284684	-1.0098382934	 0.127589
+H	 1.9260236897	 0.8833810654	-0.0647566415	 0.121829
+H	-0.0684661711	 0.2462918673	 2.0958348777	 0.085255
+H	 0.9531369771	 4.2886125757	 1.4830373407	 0.199129
+H	-2.4024315753	 1.397105775	 0.4466665853	 0.104533
+H	-2.1286335099	 0.8269832234	 3.4985447396	 0.115972
+H	-3.6181901961	 1.4071504954	 2.6118594844	 0.126984
+H	-2.0930055983	-1.2321573804	 2.0547829248	 0.085861
+H	-3.6966552125	-1.0922803381	 0.2378896857	 0.289314
+19
+0 4717	2.4129308	1.1003948	0.8669729	1.7954	78.3	-0.25837	0.03029	0.28865999999999997	1409.1736	0.152983	-422.485594	-422.475284	-422.47434	-422.521327	36.217
+C	 1.6030801473	-0.1961614241	 0.4798143741	-0.237915
+O	 0.1969449924	-0.1992259734	 0.6188836812	-0.224326
+C	-0.2940534441	 0.7983292043	 1.4884396489	-0.082
+C	-0.1802391245	 2.1485018573	 0.9154970644	 0.332642
+C	-0.0967161577	 3.2500666266	 0.4420289854	-0.483394
+C	-1.7490844822	 0.4903618032	 1.826410166	 0.031901
+O	-2.0158690896	-0.8046454738	 2.3459466524	-0.267085
+C	-2.5601447837	-0.4596328596	 1.0581465303	 0.092775
+C	-4.058925929	-0.3497407563	 0.9656567693	-0.42311
+H	 2.1019305375	-0.3522364733	 1.4482955783	 0.110327
+H	 1.8562063906	-1.022523445	-0.1875505333	 0.131738
+H	 1.966435087	 0.7443058262	 0.0437975025	 0.12025
+H	 0.2750246408	 0.7737658885	 2.4352254546	 0.103223
+H	-0.0191039006	 4.2239378109	 0.0248910381	 0.202961
+H	-2.2469263734	 1.3089541115	 2.3478324322	 0.100043
+H	-2.0616372845	-0.9697414672	 0.2366876487	 0.112348
+H	-4.515641226	-1.3445413469	 0.9371654955	 0.129568
+H	-4.466414117	 0.1896114158	 1.8250433797	 0.125064
+H	-4.3478078433	 0.1782769751	 0.0505213718	 0.124989
+19
+0 4718	2.6520383	0.9812396	0.7543957	1.6652	78.01	-0.25545	0.0455	0.30095	1484.276	0.154169	-422.504735	-422.494611	-422.493666	-422.540099	36.836
+O	 2.6942015279	-1.9110201947	-1.4620364821	-0.42266
+C	 3.0693860561	-0.5684555465	-1.2521560037	-0.055267
+C	 2.6182876823	-0.0325260873	 0.1288183238	-0.219947
+C	 1.1660548868	-0.1679388457	 0.2515381433	 0.311864
+C	-0.0290140136	-0.3023004281	 0.2908175368	-0.456852
+C	 3.0774883033	 1.4023158756	 0.3412952853	-0.001773
+C	 4.4922242073	 1.6936897329	 0.8077626473	-0.339973
+C	 3.3109036802	 1.947465238	 1.7129350147	 0.098083
+O	 2.8793074461	 3.2567668697	 1.9369194363	-0.426832
+H	 1.7365104366	-1.9563471009	-1.351412536	 0.285283
+H	 4.1615385409	-0.5351970535	-1.3047446366	 0.113189
+H	 2.6733683798	 0.0960656902	-2.036325693	 0.09259
+H	 3.0881562829	-0.6729311263	 0.8878989854	 0.107342
+H	-1.0841294626	-0.4032720999	 0.3592279665	 0.200554
+H	 2.6590070131	 2.1214400291	-0.356746747	 0.107299
+H	 5.1480601352	 0.8591021175	 1.0354900199	 0.113109
+H	 4.9853354582	 2.5601944623	 0.381462756	 0.116955
+H	 3.1671061006	 1.2634272901	 2.5501221324	 0.089535
+H	 3.4962309688	 3.6717348874	 2.5490756809	 0.287502
+19
+0 4719	2.5206592	1.2087465	0.8693507	1.4755	78.09	-0.24683	0.03046	0.27729	1349.096	0.15435	-422.482484	-422.472606	-422.471662	-422.51809	34.516
+C	 1.506565582	 0.0085719497	-0.0750588414	-0.23699
+O	 0.1054233613	 0.1764669859	 0.007070368	-0.238227
+C	-0.3367394646	 0.7801842774	 1.2104423854	-0.083041
+C	 0.1138408793	 2.1694732265	 1.3492393369	 0.34272
+C	 0.478356187	 3.3109035202	 1.4431136179	-0.460058
+C	-1.8670508855	 0.6865725472	 1.181784914	 0.142937
+C	-2.4651002805	-0.7281925856	 1.306691896	-0.294481
+C	-3.1038823181	-0.1831808137	 2.6004367514	-0.063478
+O	-2.4542786929	 1.0980303152	 2.4307149715	-0.29018
+H	 1.8843201543	-0.625576469	 0.7418636513	 0.104556
+H	 1.7108891939	-0.4819019208	-1.0292929149	 0.129097
+H	 2.0330866686	 0.9712541566	-0.0425169939	 0.123817
+H	 0.0244597232	 0.2035233136	 2.0796090437	 0.089909
+H	 0.7952530376	 4.3203764043	 1.5367683945	 0.200046
+H	-2.2401692422	 1.2800091773	 0.3385454246	 0.09223
+H	-3.1572659198	-1.0181551377	 0.5161559466	 0.115097
+H	-1.726456794	-1.5196819102	 1.4433102229	 0.11559
+H	-4.1962456666	-0.0880375952	 2.5832960147	 0.105052
+H	-2.8058391031	-0.6707601818	 3.5359895609	 0.105404
+19
+0 4720	2.4889127	1.1822247	0.8588993	1.8899	77.53	-0.24658	0.02832	0.2749	1353.4727	0.154509	-422.480906	-422.471051	-422.470107	-422.516615	34.32
+C	 1.5286372875	-0.0275522514	-0.034553591	-0.241401
+O	 0.1279045665	 0.1606139416	 0.0065017687	-0.236336
+C	-0.3368093404	 0.7960989694	 1.1847501468	-0.074961
+C	 0.1184882852	 2.1900740277	 1.2917644058	 0.327923
+C	 0.4757721597	 3.3352455869	 1.3718317729	-0.460345
+C	-1.8612343502	 0.711039357	 1.15615473	-0.037874
+C	-2.5685376344	 1.0412506735	 2.4867081141	-0.089036
+O	-2.9446839701	-0.3383208741	 2.6785107227	-0.274533
+C	-2.4313859409	-0.7039804984	 1.3792709556	-0.088536
+H	 1.8768854091	-0.6433277095	 0.8089686826	 0.106698
+H	 1.750640385	-0.5471039793	-0.9691134598	 0.131055
+H	 2.0678502822	 0.9287486884	-0.0158482379	 0.12229
+H	 0.029281832	 0.2440403018	 2.0692387874	 0.097319
+H	 0.7953641611	 4.3456577184	 1.4458901216	 0.202027
+H	-2.2307793966	 1.2376972217	 0.2754122525	 0.097144
+H	-1.9278571958	 1.414958835	 3.294905152	 0.107209
+H	-3.4426028928	 1.697892636	 2.3954463563	 0.1027
+H	-1.6951782371	-1.5143964084	 1.4330693413	 0.108302
+H	-3.23233221	-0.9948636765	 0.6885039483	 0.100356
+19
+0 4721	2.4224971	1.1568274	0.833261	2.2954	77.3	-0.24738	0.04767	0.29505	1377.3358	0.155073	-422.499301	-422.489453	-422.488509	-422.534771	34.868
+O	 2.5367769262	 2.1339195182	-1.2618465106	-0.414144
+C	 3.0165092877	 1.4535808783	-0.1200801949	-0.072249
+C	 2.4187394329	 0.0369568939	 0.0422252835	-0.227635
+C	 0.9690489449	 0.061569565	 0.2028713121	 0.342949
+C	-0.2191531394	 0.0681308044	 0.3852496979	-0.463548
+C	 3.0710395568	-0.6833801306	 1.2314422037	 0.150066
+C	 2.8413314123	-2.2026309875	 1.3715983335	-0.292472
+C	 4.3748786802	-2.3005071468	 1.2416992341	-0.068286
+O	 4.4898889035	-0.8758981859	 1.0265569506	-0.293669
+H	 2.873774266	 1.6822437036	-2.0420474819	 0.283093
+H	 4.1109383599	 1.3614396248	-0.1231716378	 0.115267
+H	 2.7291602373	 2.0667369311	 0.7399608552	 0.117388
+H	 2.6737074167	-0.5387380276	-0.8603566444	 0.092195
+H	-1.2717150039	 0.0850424919	 0.5243720547	 0.196644
+H	 2.8802249568	-0.1122122441	 2.150270554	 0.086588
+H	 2.4154427038	-2.5357398276	 2.3181289475	 0.116874
+H	 2.2770282278	-2.6458480126	 0.549282943	 0.118346
+H	 4.9017311011	-2.615020002	 2.1507982971	 0.106106
+H	 4.7610116696	-2.8750098967	 0.3919785227	 0.106486
+19
+0 4722	2.487512	1.0949824	0.8066037	0.4411	76.88	-0.25	0.04143	0.29143	1400.2817	0.154948	-422.493782	-422.48388	-422.482936	-422.529623	34.755
+O	 2.796177784	 2.5106903229	 0.7096263738	-0.409647
+C	 3.1475973078	 1.5412892145	-0.2532588191	-0.059734
+C	 2.6839121243	 0.1120771605	 0.1075396407	-0.244695
+C	 1.2349135288	 0.0438501613	 0.2816512348	 0.347884
+C	 0.0401340245	-0.0372072953	 0.3856114912	-0.457371
+C	 3.150262778	-0.8975399664	-0.9524532738	-0.024594
+C	 2.9564252065	-2.3954549183	-0.6320810852	-0.086969
+O	 4.3751425019	-2.6466762863	-0.7284941095	-0.271947
+C	 4.6540174005	-1.2580692614	-0.9834316091	-0.0922
+H	 3.2374964986	 2.2902560203	 1.5363194309	 0.284265
+H	 2.6634316968	 1.852846087	-1.1841510438	 0.122115
+H	 4.2343843099	 1.5215858824	-0.4325573136	 0.092479
+H	 3.162490114	-0.1611640257	 1.0618185146	 0.096793
+H	-1.0147434487	-0.0953277058	 0.4928923603	 0.198364
+H	 2.7495767876	-0.6105087551	-1.9277904717	 0.092497
+H	 2.5654394617	-2.6066636104	 0.3714153081	 0.10684
+H	 2.3854284612	-2.9766850072	-1.3647718807	 0.107356
+H	 5.2605361131	-0.8074579374	-0.184518068	 0.094153
+H	 5.1682140095	-1.1091958595	-1.9404347599	 0.104409
+19
+0 4723	2.2836654	0.9927239	0.7304212	3.7708	81.16	-0.24167	-0.02697	0.2147	1569.0354	0.153261	-422.552733	-422.541658	-422.540714	-422.59247	37.273
+C	 1.4609455042	 0.3696886707	 0.0359694187	-0.499718
+C	 0.0109813177	 0.2572997934	 0.1074141501	 0.075974
+C	-1.1877234156	 0.1513884127	 0.1649667422	 0.047488
+C	-2.6446094919	 0.0889203461	 0.202705011	-0.294088
+C	-3.2907376564	 1.1702745903	-0.701773236	-0.06528
+O	-4.6785326113	 0.9901552053	-0.8394640187	-0.421986
+C	-3.2009723373	 0.1581551145	 1.6429563053	 0.400795
+C	-2.4809720469	-0.6352830904	 2.7082695602	-0.474641
+O	-4.1942373857	 0.8078242522	 1.8925074729	-0.31487
+H	 1.9370552261	-0.056215088	 0.9260534816	 0.149789
+H	 1.8578235281	-0.1593840188	-0.8372478652	 0.152828
+H	 1.7749277908	 1.416479982	-0.0386456519	 0.152856
+H	-2.9769803576	-0.8894610947	-0.181393262	 0.134091
+H	-3.0362429065	 2.1611925689	-0.2973817938	 0.100102
+H	-2.8509465008	 1.0957498009	-1.7000164998	 0.115235
+H	-5.0403949121	 1.1190067968	 0.0474852548	 0.295067
+H	-3.0746066758	-0.6479523874	 3.6228088725	 0.142155
+H	-2.2852676999	-1.6561312057	 2.3640549099	 0.143523
+H	-1.5051382392	-0.1797734286	 2.9036326882	 0.16068
+19
+0 4724	1.765669	1.1790352	0.7920059	3.9478	81.89	-0.23674	-0.0141	0.22264	1519.2803	0.151721	-422.527677	-422.51613	-422.515186	-422.566777	37.699
+C	-2.7599486952	-0.1422516547	-2.5184934199	-0.234709
+O	-3.0993589525	-0.7421601594	-1.2855453949	-0.210641
+C	-2.6643327847	-0.0174061427	-0.1651871544	-0.12281
+C	-1.2028964791	 0.0321728911	-0.0255172601	 0.109095
+C	-0.0033467619	 0.0399062425	 0.0893591924	 0.00185
+C	 1.4456790576	 0.0486207837	 0.2259610031	-0.499254
+C	-3.2819357819	-0.6739530725	 1.1016156224	 0.367742
+C	-3.1616616591	 0.1438435745	 2.372291657	-0.485551
+O	-3.8273318995	-1.7425958632	 1.0491855012	-0.271553
+H	-3.1725207463	-0.7813747701	-3.3019105847	 0.13305
+H	-3.1964032247	 0.8648485342	-2.6122527663	 0.101783
+H	-1.6723475378	-0.0643966995	-2.650077416	 0.117056
+H	-3.0470079943	 1.0205258481	-0.2083379425	 0.09412
+H	 1.7435114967	-0.0519292278	 1.2753194237	 0.153734
+H	 1.8958997146	-0.7834138542	-0.3259593459	 0.157604
+H	 1.8797010956	 0.9785316343	-0.157051408	 0.151211
+H	-3.4371016428	-0.4701150707	 3.230373097	 0.145742
+H	-2.1492146003	 0.5382143013	 2.4931707293	 0.148298
+H	-3.8419376143	 1.0024423252	 2.3156694866	 0.143233
+19
+0 4725	2.5224923	0.911019	0.7010829	3.3274	80.98	-0.24536	0.04813	0.29349	1598.489	0.154647	-422.505032	-422.494655	-422.493711	-422.54285	35.59
+C	 1.6343694706	-0.1914607711	 0.0974313199	-0.499112
+C	 0.180506826	-0.1131724962	 0.0911721738	 0.094963
+C	-1.0215245309	-0.0385697783	 0.0998465237	 0.041068
+C	-2.480098277	 0.0075745961	 0.0816708655	-0.244942
+C	-3.1046785358	-1.3807472278	 0.3879290956	-0.048257
+O	-4.4797886156	-1.2869127471	 0.677159399	-0.427358
+C	-2.9672862661	 0.5200157557	-1.2704270134	 0.091329
+C	-3.5949323047	 1.8339036696	-1.4369812914	-0.179616
+O	-4.3913380394	 0.6414950022	-1.4276956468	-0.252387
+H	 2.0478408553	 0.1851387197	 1.0394145312	 0.151189
+H	 1.9778073769	-1.2244018151	-0.0258731821	 0.150716
+H	 2.068206685	 0.4012818293	-0.7153926347	 0.14919
+H	-2.844230192	 0.6853294124	 0.865018515	 0.109643
+H	-2.8991269334	-2.0584851406	-0.4571702228	 0.090627
+H	-2.6179346028	-1.8032227994	 1.2716335596	 0.114427
+H	-4.8848535692	-0.7562155854	-0.020739694	 0.298561
+H	-2.4709070444	 0.0703826139	-2.1302557459	 0.109837
+H	-3.7152830474	 2.4806738516	-0.5696569677	 0.125164
+H	-3.5477595949	 2.3429607405	-2.3975276944	 0.124959
+19
+0 4726	1.9910867	1.070972	0.7302184	3.0986	81.04	-0.25383	0.03598	0.28981	1573.4388	0.15339	-422.486524	-422.475835	-422.474891	-422.524783	35.677
+C	-2.7729806078	 2.1246981378	 1.2602841002	-0.234922
+O	-3.0248766057	 0.7353813926	 1.2433171865	-0.230469
+C	-2.5351301255	 0.0782859716	 0.0859678943	-0.089871
+C	-1.0667689513	 0.0582620504	 0.0247180124	 0.114665
+C	 0.1367396749	 0.0245040416	-0.0116720967	 0.022909
+C	 1.5909228787	-0.0160250266	-0.0599944613	-0.499542
+C	-3.0932580386	-1.3311120182	 0.1213861157	 0.083052
+C	-3.3302020771	-2.0821402628	-1.1127839838	-0.176268
+O	-4.4133596231	-1.4995165775	-0.3836521993	-0.231056
+H	-3.2106100018	 2.5146548259	 2.1818657604	 0.129179
+H	-1.6967193162	 2.3447203702	 1.250042005	 0.114888
+H	-3.2418647989	 2.6294544115	 0.4013272083	 0.105423
+H	-2.9327747199	 0.5720158275	-0.8173013798	 0.092619
+H	 2.0222523565	 0.0855977833	 0.9417410683	 0.153767
+H	 1.945458332	-0.9644744974	-0.4781725212	 0.152191
+H	 1.993283486	 0.7923183046	-0.6801774957	 0.150864
+H	-2.8785280318	-1.8695611743	 1.0436703276	 0.109024
+H	-3.1116246979	-1.6201377613	-2.0747909314	 0.115658
+H	-3.2821233924	-3.1695546589	-1.0985439295	 0.117889
+19
+0 4727	1.7122657	1.6050943	1.2449906	3.258	77.62	-0.24695	-0.0332	0.21375	1160.7543	0.152737	-422.547049	-422.536431	-422.535486	-422.582397	38.288
+C	 2.533976126	-0.2694306541	-2.5465772266	-0.481499
+C	 3.0447128017	-0.7908639701	-1.2199912112	 0.393914
+O	 3.7291329264	-1.7886716458	-1.1558452318	-0.323694
+C	 2.6757742764	 0.0058502985	 0.0650189941	-0.075513
+C	 3.1273253378	 1.4799602642	-0.0853197567	-0.433359
+C	 3.4027457845	-0.6199853324	 1.2892151245	-0.07043
+O	 3.0558750076	-1.9559114495	 1.5381870058	-0.422006
+C	 1.2246570991	-0.0643800199	 0.2336967019	 0.359854
+C	 0.0297474075	-0.1111964073	 0.3595485798	-0.501014
+H	 2.6089425015	-1.0573546081	-3.2968338054	 0.147497
+H	 1.5044978414	 0.0860876367	-2.4622628441	 0.155369
+H	 3.1519154435	 0.5768026214	-2.867953011	 0.150294
+H	 2.9108304308	 2.0240915718	 0.8379585384	 0.139198
+H	 4.2044910681	 1.5341909127	-0.2736554508	 0.126625
+H	 2.6017535738	 1.9815423775	-0.8999404983	 0.133415
+H	 4.4851979914	-0.4985750752	 1.1283560408	 0.091375
+H	 3.128180143	-0.0455228204	 2.1794460215	 0.111164
+H	 3.3870525671	-2.4529109573	 0.7791434204	 0.29606
+H	-1.0231341876	-0.1652037126	 0.4888788288	 0.20275
+19
+0 4728	1.964785	1.3525011	1.1816622	2.821	77.77	-0.2585	-0.03469	0.22381	1208.581	0.152065	-422.550082	-422.539327	-422.538383	-422.585801	38.487
+C	 2.7772010649	 2.4159042053	 0.9395028213	-0.39077
+C	 3.0887707344	 1.4124564432	-0.1718056631	-0.206484
+C	 2.526723847	-0.0015684156	 0.1306765792	 0.09833
+O	 3.0300578846	-0.4489209156	 1.3659504869	-0.449103
+C	 1.0533398012	 0.0020178007	 0.1370046244	 0.351951
+C	-0.149079409	-0.0059966817	 0.1236543728	-0.510664
+C	 2.9870611824	-1.0032711705	-0.9726547337	 0.358841
+C	 2.6298663212	-0.7283697	-2.4112177885	-0.486964
+O	 3.6334257351	-1.9666100365	-0.6275829345	-0.322437
+H	 3.1830582731	 2.0683056896	 1.8919494343	 0.144198
+H	 3.2175434163	 3.3901492277	 0.7080932328	 0.111181
+H	 1.6975164843	 2.5480589761	 1.0553867473	 0.128841
+H	 2.6829805704	 1.7646228976	-1.1261334418	 0.102882
+H	 4.1740495007	 1.3081485092	-0.2896978117	 0.107026
+H	 3.441179499	-1.3090603699	 1.1703632366	 0.294506
+H	-1.2113913598	-0.013595933	 0.1332127058	 0.203819
+H	 2.7661188399	-1.6357461665	-3.0007603931	 0.150416
+H	 1.6051112411	-0.3609714518	-2.4982392251	 0.158135
+H	 3.2950497933	 0.0485015819	-2.8054270501	 0.156297
+19
+0 4729	1.9120612	1.4908696	1.2795887	1.6556	77.6	-0.23932	-0.02371	0.21561	1151.3426	0.151031	-422.528084	-422.516941	-422.515997	-422.564442	38.88
+C	 1.6547025758	-0.3650250562	 0.0143670663	-0.254786
+O	 0.280481943	-0.0149351787	-0.0415399656	-0.262172
+C	-0.2367141057	 0.6234387843	 1.1247161315	 0.019173
+C	-1.7475980546	 0.7761082893	 0.8692609273	-0.432999
+C	-0.0099219143	-0.1732564285	 2.3356548203	 0.373222
+C	 0.1545424192	-0.8564776215	 3.3098247761	-0.464231
+C	 0.3851704601	 2.0518798555	 1.2813853593	 0.363241
+C	 0.4353369193	 2.8971882026	 0.0200227911	-0.48719
+O	 0.7598706919	 2.4632444367	 2.3495574835	-0.289679
+H	 1.8570203809	-1.0715489972	 0.8274583585	 0.132812
+H	 1.8898621074	-0.834380712	-0.9430859968	 0.131225
+H	 2.300935654	 0.5150370615	 0.1465821779	 0.112969
+H	-2.226911963	 1.2861875491	 1.7079644076	 0.140182
+H	-1.9166768183	 1.3429887962	-0.0492180713	 0.12877
+H	-2.1901415185	-0.2153874996	 0.7542737686	 0.143755
+H	 0.3070775692	-1.4458673698	 4.1803705883	 0.200287
+H	 0.5447179979	 2.2894953233	-0.8788208203	 0.149547
+H	-0.5035910697	 3.4570461373	-0.0656140041	 0.151599
+H	 1.2474050354	 3.6205538576	 0.1088068318	 0.144275
+19
+0 4730	2.0758016	1.3664175	1.1553507	2.5351	76.83	-0.25868	0.03799	0.29667000000000004	1182.7956	0.153935	-422.501463	-422.491459	-422.490514	-422.536188	36.616
+C	 3.9204223259	-0.1913283463	-1.6310974927	-0.445655
+C	 3.374605042	-1.1644292011	-0.5688007977	-0.007396
+C	 2.8962646624	-0.3516118085	 0.672765222	-0.077
+O	 2.4504141907	-1.1710789401	 1.7304586314	-0.421846
+C	 4.4162546366	-2.0953243025	-0.124585747	 0.32742
+C	 5.2518239554	-2.8560270468	 0.2895905481	-0.490983
+C	 2.1789286776	-1.9825179015	-1.0744442473	 0.095076
+C	 1.9800317901	-2.3809761077	-2.4694252408	-0.188769
+O	 1.2343826863	-1.2987501485	-1.8967875259	-0.245149
+H	 4.6696118151	 0.4695663507	-1.1874593409	 0.124848
+H	 4.3988575166	-0.7279497491	-2.4535176914	 0.127368
+H	 3.1030650701	 0.411709	-2.0332552515	 0.142826
+H	 3.7103228209	 0.3162044663	 0.9912558985	 0.093277
+H	 2.0427573479	 0.2645986384	 0.3739081502	 0.128374
+H	 3.1930595521	-1.7320891293	 1.9862606941	 0.286112
+H	 6.0009919594	-3.5306487832	 0.624626135	 0.203014
+H	 1.7287779906	-2.5931936274	-0.293778908	 0.112669
+H	 2.7006547671	-2.0950266083	-3.2321556985	 0.116615
+H	 1.4027058933	-3.2769581451	-2.6916719875	 0.1192
+19
+0 4731	2.2492632	1.3499252	1.0457438	2.4767	77.19	-0.25671	0.02586	0.28257	1227.9428	0.152832	-422.500714	-422.49032	-422.489376	-422.536059	37.255
+C	 2.8512389579	-2.301877535	-1.2325769299	-0.414731
+C	 3.2604395488	-1.4420318383	-0.0364976666	-0.18673
+C	 2.6779213678	-0.0064682451	-0.0635625613	 0.155131
+O	 3.1070762977	 0.6832960929	-1.2374749761	-0.456205
+C	 1.2096402723	-0.0263881398	 0.0174232236	 0.313697
+C	 0.0083840441	-0.0436444174	 0.0690325692	-0.496042
+C	 3.2142672498	 0.7661713097	 1.1450653786	 0.075061
+C	 3.6383484093	 2.1643669846	 1.0606125174	-0.176019
+O	 4.5948020941	 1.0953942281	 1.1228068455	-0.244883
+H	 3.2921248271	-3.2998216708	-1.1568457448	 0.120476
+H	 1.7641272512	-2.4178353641	-1.2888679934	 0.125651
+H	 3.2012996859	-1.8608170023	-2.1713219768	 0.116445
+H	 2.9504891226	-1.9235930004	 0.8982228174	 0.100839
+H	 4.3486186375	-1.3284033365	-0.0030915983	 0.127667
+H	 2.5325853933	 0.4146618382	-1.9606528016	 0.290129
+H	-1.0529229928	-0.0540140481	 0.1165384876	 0.203821
+H	 2.8502319599	 0.3773854013	 2.0966156191	 0.100268
+H	 3.582176041	 2.6718663176	 0.1025986251	 0.134008
+H	 3.5872840027	 2.7934878953	 1.9477983152	 0.111418
+19
+0 4732	2.0637236	1.4977357	1.1845071	0.8	77.25	-0.24612	0.03597	0.28209	1154.6365	0.15295	-422.480549	-422.470484	-422.46954	-422.515126	36.664
+C	 1.3852047503	-0.291878482	-0.0862184443	-0.251154
+O	 0.0220690042	 0.0932871752	 0.0417723878	-0.287952
+C	-0.3865640012	 0.7332561217	 1.2503282995	 0.114641
+C	 0.2779237792	 0.1504327805	 2.5135488479	-0.444494
+C	-1.843015711	 0.5452343246	 1.3354439209	 0.353561
+C	-3.033924348	 0.4268200108	 1.4374157897	-0.464847
+C	-0.1314377696	 2.2483296932	 1.1863406865	 0.08856
+C	 0.0052030048	 2.9560969739	-0.0856635034	-0.181747
+O	 1.1520363022	 2.6685072951	 0.733790071	-0.250403
+H	 1.6502598516	-1.1040410253	 0.6028071533	 0.109735
+H	 1.4854855113	-0.6648947201	-1.1085727017	 0.126517
+H	 2.068048263	 0.5496632446	 0.0593404432	 0.138527
+H	 0.1163649829	-0.9288272319	 2.5647330733	 0.135271
+H	 1.3500485712	 0.3600390022	 2.5216185872	 0.136383
+H	-0.1674233095	 0.6055385353	 3.4015057851	 0.130902
+H	-4.0866497012	 0.3088032283	 1.5151006497	 0.198895
+H	-0.5099739695	 2.7923373612	 2.0531099169	 0.097702
+H	-0.0536519614	 2.3862362703	-1.0083764062	 0.13355
+H	-0.2638937692	 4.0087283224	-0.1474585564	 0.116353
+19
+0 4733	2.241552	1.3642455	1.0436408	2.0933	77.09	-0.25611	0.02785	0.28396	1216.3549	0.154105	-422.508628	-422.498649	-422.497704	-422.543186	37.122
+O	 2.7004214914	 1.4134569517	-2.0386024222	-0.42307
+C	 3.1000826914	 0.1938198003	-1.4653708038	-0.052621
+C	 2.6553850607	 0.0749812379	 0.0102556441	 0.089369
+O	 3.2378951278	 1.2283352135	 0.6476872403	-0.464043
+C	 1.1939630345	 0.1290091097	 0.1285927563	 0.328502
+C	 0.0008382415	 0.165138529	 0.2706435851	-0.479767
+C	 3.1844956184	-1.2227922978	 0.6208783712	 0.007848
+C	 3.4654797818	-1.3328468049	 2.0944023049	-0.27333
+C	 4.6066732712	-1.312165401	 1.1075422915	-0.275756
+H	 2.9648768443	 2.093262287	-1.4062270427	 0.286035
+H	 2.6491528824	-0.6116285411	-2.0516961952	 0.112229
+H	 4.1933777893	 0.0668117925	-1.4846607913	 0.096412
+H	 2.6501212837	 1.5005838803	 1.3593516676	 0.295255
+H	-1.0556104747	 0.2024216606	 0.3753708794	 0.202253
+H	 2.7712588669	-2.1063293189	 0.1433255865	 0.094676
+H	 3.3288056885	-0.4467114371	 2.7040735423	 0.103631
+H	 3.2161606108	-2.2623906313	 2.5930093009	 0.113673
+H	 5.1998051929	-0.406215777	 1.0682516453	 0.127772
+H	 5.155644867	-2.2281578031	 0.9209841198	 0.110934
+19
+0 4734	2.4791715	0.8720412	0.7542453	3.619	83.86	-0.2693	-0.06448	0.20482	1572.0333	0.153159	-422.539488	-422.528552	-422.527608	-422.576488	37.669
+C	-3.12762349	 0.7097990484	-1.327433655	-0.400067
+C	-2.6152852572	-0.0027340173	-0.0550090513	 0.02875
+C	-3.2329599714	-1.4109744844	 0.0698890981	-0.413909
+C	-2.9900188343	 0.8376189244	 1.2003212783	-0.0637
+O	-2.4411106669	 2.1345771799	 1.1878636654	-0.41778
+C	-1.1554235906	-0.0963617148	-0.1110187017	 0.166572
+C	 0.0542692937	-0.1229095142	-0.1146314932	-0.062302
+C	 1.4923628317	-0.18501639	-0.1445645532	 0.022717
+O	 2.2209180774	 0.5850825732	 0.4393279737	-0.231329
+H	-2.8053595444	 0.1849643014	-2.2303861618	 0.122795
+H	-4.2221752248	 0.7344730871	-1.3128503555	 0.119087
+H	-2.7593059671	 1.7365678399	-1.3609225317	 0.144423
+H	-2.8588872283	-1.9318757045	 0.9559047899	 0.128472
+H	-4.3219915361	-1.3318508327	 0.1502307258	 0.122885
+H	-2.9980488518	-2.0188191186	-0.8077572677	 0.129908
+H	-4.0779935621	 0.9631520463	 1.2180250912	 0.112351
+H	-2.6994449277	 0.2795271801	 2.1031354746	 0.096662
+H	-1.4807550286	 2.045619626	 1.2169723867	 0.294095
+H	 1.9001794384	-1.0132700101	-0.7587826326	 0.100371
+19
+0 4735	2.5149378	0.8342496	0.7401161	3.9639	83.71	-0.26585	-0.06044	0.20540999999999998	1610.2871	0.152399	-422.537717	-422.526638	-422.525693	-422.574678	38.122
+C	 0.8161300631	-0.3965980517	 0.8443286073	-0.388941
+C	 1.2690870169	 0.0659395815	-0.5405098493	-0.196369
+C	 2.133832222	 1.3535273408	-0.5260920226	 0.132898
+C	 2.5775474255	 1.7244875887	-1.9556017022	-0.418684
+O	 3.278283253	 1.1839191369	 0.3170419054	-0.451893
+C	 1.3646119143	 2.4672863788	 0.037102679	 0.232216
+C	 0.6907467659	 3.3824532802	 0.4457858663	-0.04975
+C	-0.0734185796	 4.4817774685	 0.9751713139	 0.020088
+O	-1.1237835357	 4.8708417661	 0.5174491079	-0.232015
+H	 0.2825050234	-1.3487890287	 0.7765156899	 0.114466
+H	 1.6749276652	-0.5265869717	 1.5076430676	 0.128766
+H	 0.1444553185	 0.3345367285	 1.3035804196	 0.13199
+H	 1.8752521275	-0.71507492	-1.0199967598	 0.090473
+H	 0.4054599994	 0.2338201144	-1.1932242401	 0.114517
+H	 3.1501902941	 0.8951855275	-2.3864094501	 0.111524
+H	 1.7162994875	 1.9175135554	-2.6001792322	 0.136504
+H	 3.2105093476	 2.6141194035	-1.9335892554	 0.138915
+H	 3.8172714516	 0.4878922819	-0.0761232263	 0.282562
+H	 0.3855084998	 4.9626893995	 1.8627645013	 0.102735
+19
+0 4736	3.6306681	0.7036393	0.6791211	4.0287	84.6	-0.26478	-0.05921	0.20557000000000003	1724.4814	0.152089	-422.518763	-422.507621	-422.506676	-422.556302	37.729
+C	-4.5034109909	-0.789822032	 1.2360944942	-0.243657
+O	-3.1062060862	-0.634135881	 1.0906373713	-0.274852
+C	-2.6392185669	 0.0743210301	-0.0636811995	 0.15292
+C	-3.1263395503	 1.5394595217	-0.0735460298	-0.417568
+C	-3.0247994735	-0.6452942963	-1.3741594589	-0.417798
+C	-1.1762472809	 0.0676747274	 0.0618443621	 0.144982
+C	 0.0298015083	 0.0912863828	 0.1165748736	 0.018389
+C	 1.4646458594	 0.0899796427	 0.2307245164	 0.016562
+O	 2.2179381574	 0.5991725738	-0.5677182842	-0.232462
+H	-4.6463656428	-1.345084436	 2.1660455615	 0.135698
+H	-5.0316178615	 0.1691261633	 1.3225846053	 0.111174
+H	-4.9545864321	-1.3664021071	 0.4175208813	 0.111274
+H	-2.8937907996	 2.0190076624	 0.8800434796	 0.137414
+H	-2.6339567558	 2.0949619549	-0.8751619757	 0.137497
+H	-4.2055112813	 1.585611034	-0.2422984504	 0.121834
+H	-2.7213921963	-1.6938325791	-1.3303670457	 0.137411
+H	-4.1042336736	-0.5928162112	-1.539364048	 0.121858
+H	-2.5284044576	-0.1714706899	-2.2242646349	 0.137551
+H	 1.8434784042	-0.4293729708	 1.1344722217	 0.101772
+19
+0 4737	2.8726258	1.1022199	0.9701479	3.0728	78.02	-0.25847	-0.05971	0.19876	1276.5803	0.152542	-422.539622	-422.528816	-422.527871	-422.57538	38.588
+C	 2.897239898	-1.7904311447	 1.71603077	-0.443712
+C	 3.2835740122	-1.2853230796	 0.3101481306	 0.106858
+C	 2.7707294228	-2.270656759	-0.761314762	-0.425239
+C	 4.8171365256	-1.1314895585	 0.1931176006	-0.086883
+O	 5.5026061935	-2.3622954894	 0.376765839	-0.42877
+C	 2.6461145846	 0.0867397751	 0.0763329889	 0.228713
+O	 3.2899063163	 1.0869998204	-0.1622621363	-0.310399
+C	 1.19063481	 0.1487173219	 0.1451218312	 0.275659
+C	-0.0105084486	 0.2140001954	 0.1983034173	-0.402065
+H	 3.3093439513	-2.7917178811	 1.8752358147	 0.120859
+H	 3.2812080485	-1.127630569	 2.4995950831	 0.120364
+H	 1.812349876	-1.8562377864	 1.83050822	 0.134447
+H	 3.3059225272	-3.2172961321	-0.6539971181	 0.139346
+H	 1.6982151472	-2.4536284658	-0.6569169258	 0.123019
+H	 2.9571091091	-1.8896172225	-1.7707401146	 0.123349
+H	 5.0732828381	-0.7848140269	-0.8114788082	 0.121311
+H	 5.1683924597	-0.3654105289	 0.8957383107	 0.102992
+H	 5.5493326115	-2.5421765821	 1.3198994272	 0.286394
+H	-1.0703994328	 0.2856451535	 0.2415355317	 0.213755
+19
+0 4738	1.9742917	1.3301454	1.2318429	2.1294	78.17	-0.25449	-0.0673	0.18719	1192.5751	0.15185	-422.543794	-422.532819	-422.531875	-422.580326	38.887
+C	 0.3098732298	 0.5484591839	 0.3579382532	-0.418683
+C	 1.2526818603	 1.4055485314	-0.4920391928	-0.180342
+C	 1.4278160627	 2.8568802496	 0.0140745901	 0.247149
+C	 2.268993717	 3.6771702035	-0.9699031418	-0.402382
+O	 0.1852866078	 3.532477861	 0.1298285031	-0.466955
+C	 2.1818717145	 2.8170390953	 1.3628676451	 0.181607
+O	 3.2955169367	 2.3507136542	 1.461554069	-0.30342
+C	 1.482554341	 3.3520395398	 2.5227978951	 0.268072
+C	 0.9170083921	 3.7596626447	 3.5053484238	-0.406096
+H	 0.6643866143	 0.448874644	 1.3898673162	 0.126736
+H	-0.701041823	 0.9690636112	 0.381463053	 0.115949
+H	 0.229816564	-0.4600467806	-0.0572813527	 0.124603
+H	 2.2442228277	 0.9435757659	-0.5323726306	 0.121457
+H	 0.8735332174	 1.4630454945	-1.5182055619	 0.101562
+H	 2.3664605514	 4.7081671452	-0.6192659476	 0.127407
+H	 3.2643032172	 3.2406514959	-1.0712453379	 0.138125
+H	 1.7755752778	 3.6916113466	-1.9452832594	 0.124807
+H	-0.3101794888	 3.154775878	 0.8645756374	 0.281261
+H	 0.4299590801	 4.1247803159	 4.3772449187	 0.219145
+19
+0 4739	2.1292516	1.4155791	1.0500418	2.6486	78.84	-0.26026	-0.0591	0.20116	1226.08	0.151585	-422.523376	-422.512439	-422.511495	-422.560685	38.396
+C	 1.4372527762	-0.0977697196	-0.1271550925	-0.250486
+O	 0.0527734143	-0.0142860421	 0.1301744265	-0.281327
+C	-0.3632121402	 0.7305296386	 1.2660564051	 0.270668
+C	 0.1446414703	 0.1218385813	 2.5852622884	-0.425286
+C	 0.0066737044	 2.2205309692	 1.1587334496	-0.425324
+C	-1.9055029867	 0.6358881085	 1.276798918	 0.172857
+O	-2.5543412936	 1.1848388497	 2.1416436622	-0.314719
+C	-2.5511763593	-0.1263152967	 0.2266802339	 0.345317
+C	-3.1646367954	-0.7391776023	-0.6082211463	-0.437726
+H	 1.9884453591	-0.5883855754	 0.6866070504	 0.11094
+H	 1.5437425876	-0.7040215569	-1.0299103478	 0.132748
+H	 1.8912084094	 0.8848901794	-0.314257374	 0.110959
+H	-0.0524932996	-0.9540050106	 2.6093776193	 0.127701
+H	 1.2189499325	 0.2838384086	 2.706984982	 0.116454
+H	-0.371721649	 0.5922610874	 3.4246137038	 0.145388
+H	-0.5166191974	 2.7812532837	 1.9360081051	 0.145456
+H	 1.0815982687	 2.3709316002	 1.2896008518	 0.11637
+H	-0.2862593604	 2.6164441157	 0.1818421319	 0.127651
+H	-3.6958014309	-1.2832407386	-1.3508004376	 0.212359
+19
+0 4740	1.953239	1.0899827	0.8893922	3.4384	81.41	-0.24679	-0.03005	0.21674000000000002	1434.679	0.152599	-422.543386	-422.53212	-422.531176	-422.581272	38.102
+C	 1.5097832585	-0.0500078899	 0.0276190711	-0.498747
+C	 0.0543161963	-0.002959012	 0.0115401313	 0.00113
+C	-1.1510967203	 0.0256520317	-0.0092899507	 0.085128
+C	-2.615789843	 0.0703056421	-0.0023929053	-0.041619
+C	-3.1662356045	 0.0424914212	-1.4506791607	-0.417354
+C	-3.0989916956	 1.3408771608	 0.7410052545	-0.070812
+O	-2.6301146901	 2.5240525191	 0.1272811465	-0.425832
+C	-3.1191939313	-1.1892831898	 0.7131838919	 0.153746
+O	-3.8992965266	-1.185182694	 1.6277519323	-0.251637
+H	 1.9098065372	 0.3073015725	 0.9825558017	 0.154486
+H	 1.8702788258	-1.0735518671	-0.1211326934	 0.156155
+H	 1.9367881922	 0.5705885826	-0.7675681732	 0.153845
+H	-2.7895564552	-0.8228611361	-2.0021325036	 0.124324
+H	-4.26010552	 0.0059991463	-1.437675011	 0.128014
+H	-2.8541885805	 0.9533888077	-1.9647873942	 0.147664
+H	-4.1905385758	 1.3805321741	 0.7101161037	 0.121753
+H	-2.7981000402	 1.2763967552	 1.7947752113	 0.105672
+H	-1.6663155022	 2.4907204422	 0.150730154	 0.284324
+H	-2.7062951345	-2.1361949766	 0.2996614936	 0.089761
+19
+0 4741	2.4387936	0.9721892	0.8247046	2.6712	82.22	-0.25243	-0.03983	0.21259999999999998	1504.6863	0.152393	-422.545727	-422.5346	-422.533656	-422.583891	37.951
+C	-4.7500379037	-1.2311760478	 0.952267855	-0.404881
+C	-3.2215534991	-1.1659558262	 0.9466548282	-0.19556
+C	-2.6555059791	-0.2019435983	-0.1263345104	 0.067912
+O	-3.1296550354	-0.5688753294	-1.4010772853	-0.447679
+C	-3.1001091075	 1.2375930906	 0.1758334496	 0.133253
+O	-3.6913259992	 1.9026636795	-0.636075571	-0.268471
+C	-1.1849975076	-0.1703493192	-0.0676019368	 0.066365
+C	 0.0163454907	-0.1085808981	 0.0023243165	 0.08343
+C	 1.4691496878	-0.0543888054	 0.0641633285	-0.501453
+H	-5.0982255655	-1.9691600198	 1.6803470224	 0.115558
+H	-5.2002588195	-0.2678019738	 1.2166979228	 0.117889
+H	-5.1215830071	-1.5154456813	-0.0345708182	 0.142098
+H	-2.8339225956	-0.8596349372	 1.925251525	 0.104671
+H	-2.7980585598	-2.1531144881	 0.7368146929	 0.123746
+H	-3.4823853072	 0.2471648246	-1.7917552569	 0.293223
+H	-2.8216015844	 1.6260389674	 1.1748651164	 0.106529
+H	 1.8429925498	-0.4651587192	 1.0082133285	 0.152013
+H	 1.9164084774	-0.6328797626	-0.7513781083	 0.158064
+H	 1.8327417951	 0.9754256342	-0.0203789189	 0.153291
+19
+0 4742	1.9137764	1.1312843	0.9982844	1.7597	81.26	-0.24126	-0.02991	0.21135	1379.4046	0.151382	-422.525795	-422.514365	-422.513421	-422.563988	38.147
+C	-2.8921528995	 1.9598076299	 1.3753532246	-0.249739
+O	-3.2690451493	 0.6092609289	 1.1619327893	-0.25736
+C	-2.6972663232	-0.0074882762	 0.0096650298	 0.037509
+C	-3.176566323	-1.4701832877	 0.0570594354	-0.422592
+C	-3.3492424098	 0.6275290992	-1.2405312918	 0.141887
+O	-2.8117953687	 0.8456138981	-2.2890812105	-0.24073
+C	-1.2374578333	 0.0734247742	-0.0295690954	 0.133642
+C	-0.0356591661	 0.1354192368	-0.0608561334	 0.029531
+C	 1.4169802509	 0.207414988	-0.1093357468	-0.501452
+H	-3.4315449964	 2.2920334703	 2.2647855485	 0.131136
+H	-1.8129916134	 2.0550382398	 1.5446354202	 0.125909
+H	-3.1700058487	 2.6074014543	 0.530677762	 0.112858
+H	-2.8224726593	-1.9270924987	 0.9835123357	 0.14212
+H	-4.2700429318	-1.5039489061	 0.046117782	 0.126966
+H	-2.7847273753	-2.028177495	-0.7958324777	 0.139438
+H	-4.4288440539	 0.8407806399	-1.0620697954	 0.089875
+H	 1.8488869568	 0.1814112376	 0.8969581122	 0.151512
+H	 1.8327363464	-0.6360632223	-0.6710168178	 0.15484
+H	 1.7532705776	 1.1294495789	-0.5954574109	 0.154651
+19
+0 4743	1.7761005	1.4204775	1.1147519	1.6167	77.04	-0.25074	-0.0229	0.22784000000000001	1218.7302	0.152319	-422.53823	-422.527426	-422.526482	-422.574092	38.158
+C	 4.6174284731	 0.0043279285	-1.4973537584	-0.431445
+C	 3.0800230286	-0.1006517171	-1.3967249293	 0.131278
+C	 2.5943893629	-1.4744578555	-1.8677063463	-0.094126
+O	 3.2047697432	-2.4573811739	-1.039898226	-0.434623
+C	 2.655675044	 0.1681193013	 0.076925543	-0.382831
+C	 1.2118700629	 0.2350323785	 0.2689165204	 0.290932
+C	 0.0183388594	 0.2959630763	 0.3996780546	-0.435288
+C	 2.4941515375	 0.9892562498	-2.2824594004	 0.153251
+O	 1.9027745864	 0.8033868537	-3.3140098449	-0.258345
+H	 5.081201017	-0.7424117834	-0.8491750942	 0.147483
+H	 4.9514592251	-0.1795971901	-2.5228928665	 0.127755
+H	 4.9691040623	 0.9966092406	-1.1960999573	 0.115679
+H	 1.4994881298	-1.5142397505	-1.7987838093	 0.113437
+H	 2.866743422	-1.6094003456	-2.9229246023	 0.102951
+H	 2.8379927243	-3.314410446	-1.2731843983	 0.292727
+H	 3.0780022121	-0.6324953581	 0.6927171735	 0.156353
+H	 3.1123741673	 1.1064979218	 0.416302597	 0.127061
+H	-1.0347646249	 0.3518236956	 0.5239605762	 0.198745
+H	 2.6847596669	 2.0226288043	-1.9075691815	 0.079007
+19
+0 4744	2.7229106	1.1557848	0.9790131	2.26	77.41	-0.26178	-0.03839	0.22339	1280.2343	0.152277	-422.543873	-422.533274	-422.53233	-422.579545	37.854
+C	-0.5016061668	 2.8776023707	 0.7871122234	-0.402967
+C	-1.0031978636	 2.1228190135	-0.4458975908	-0.201945
+C	 0.0062107092	 1.0819758466	-0.9851812008	 0.261483
+O	 1.2415543412	 1.6938065817	-1.2489844239	-0.461364
+C	-0.5595340477	 0.4420622694	-2.2889260225	-0.393988
+C	 0.2729995776	-0.6328502336	-2.8114501146	 0.290563
+C	 0.9652514213	-1.5294165751	-3.2123604533	-0.425171
+C	 0.2012699117	-0.018066944	 0.0506321663	 0.144512
+O	 1.2772664124	-0.2552728458	 0.5397862452	-0.270114
+H	-0.3539049379	 2.2093026225	 1.6422850859	 0.120744
+H	 0.453794374	 3.3604806174	 0.5705505781	 0.141964
+H	-1.2197314931	 3.6460256688	 1.0865084517	 0.116464
+H	-1.95437021	 1.6194741348	-0.2307115597	 0.097246
+H	-1.2014063713	 2.8305466423	-1.2592105279	 0.114184
+H	 1.9017205697	 1.189330321	-0.7475891757	 0.296081
+H	-1.5768309328	 0.0736052977	-2.1057647731	 0.128235
+H	-0.6420758978	 1.249082561	-3.025758662	 0.147912
+H	 1.5773507881	-2.3175749804	-3.5752351284	 0.199608
+H	-0.7079511942	-0.5884126686	 0.333278922	 0.096552
+19
+0 4745	2.2301493	1.2656414	0.9986601	2.8694	77.62	-0.24564	-0.02671	0.21892999999999999	1266.1688	0.151475	-422.520374	-422.509517	-422.508573	-422.556549	38.027
+C	 1.6083719811	-0.3284091988	 0.0283718832	-0.250551
+O	 0.2351045037	-0.0049670262	-0.0499693879	-0.27885
+C	-0.3741098629	 0.5946352698	 1.0917466116	 0.250229
+C	-0.1050698571	-0.1340957933	 2.4049468248	-0.440071
+C	 0.0376099193	 2.1017999713	 1.1469077512	-0.409822
+C	-0.586387726	 2.8626867405	 2.218470692	 0.317426
+C	-1.1083612534	 3.4871889293	 3.102402682	-0.441075
+C	-1.8647084609	 0.5310443287	 0.7301609832	 0.158457
+O	-2.7576718501	 0.3699421587	 1.5158282546	-0.244609
+H	 1.814214167	-1.0910355313	 0.7899169231	 0.119524
+H	 1.882502668	-0.7295296865	-0.9501780316	 0.135721
+H	 2.2409541467	 0.547015461	 0.2308462416	 0.110108
+H	-0.2858053227	-1.2058150536	 2.2852036388	 0.129339
+H	 0.9212438702	 0.0175146033	 2.7498401708	 0.115073
+H	-0.7874349644	 0.2442995289	 3.16717876	 0.159932
+H	 1.1281210112	 2.1504086575	 1.2509774038	 0.135991
+H	-0.1997672632	 2.5501895556	 0.174255185	 0.139901
+H	-1.5750234806	 4.0369796977	 3.8818338162	 0.200984
+H	-2.0440016461	 0.6559489176	-0.3602932125	 0.092291
+19
+0 4746	2.1240274	1.1122646	1.0089715	2.912	77.98	-0.24647	-0.02284	0.22363	1305.3468	0.152628	-422.537933	-422.52731	-422.526366	-422.573852	37.754
+C	-2.3077361598	 1.4918293621	 0.2122186423	-0.420793
+C	-1.0889945927	 1.9596500704	-0.60988886	 0.015747
+C	-1.5841625155	 2.7788673759	-1.8363978566	-0.072718
+O	-0.5319928897	 3.2823754106	-2.6271345862	-0.417997
+C	-0.2714998097	 0.7436160006	-1.1293149397	-0.285015
+C	 0.3944007913	-0.0661444214	-0.0410713402	 0.148263
+O	 0.2610854565	-1.2557797648	 0.0990349591	-0.248212
+C	-0.2393322154	 2.8497400305	 0.1908881158	 0.330466
+C	 0.448044861	 3.628638836	 0.7988988898	-0.499754
+H	-1.9979322686	 0.9071621953	 1.0821796158	 0.139378
+H	-2.8886350127	 2.3471867289	 0.5678334571	 0.129197
+H	-2.9560463281	 0.8621774699	-0.4056656379	 0.126135
+H	-2.1721977527	 2.1216522448	-2.4851946825	 0.114399
+H	-2.2435435852	 3.5824230549	-1.4757359718	 0.098254
+H	-0.0146966346	 3.8748164974	-2.0675238843	 0.288212
+H	-0.9236797038	 0.0797234699	-1.7044807805	 0.119245
+H	 0.5065808517	 1.1296390983	-1.7997354187	 0.138914
+H	 1.045004608	 0.5223232402	 0.6427819291	 0.088925
+H	 1.0539902999	 4.2937032506	 1.3642286092	 0.207354
+19
+0 4747	2.2593143	1.3234519	1.115893	1.6647	77.8	-0.27504	0.00366	0.2787	1197.7436	0.152871	-422.553371	-422.542992	-422.542048	-422.588335	37.378
+C	 0.5302005021	 3.0217679405	-0.626051105	-0.396535
+C	 0.302676636	 2.4148638747	 0.7592163585	-0.209305
+C	-0.5003916589	 1.0939790211	 0.7608205128	 0.168805
+C	-0.6407231825	 0.5133677709	 2.1774297835	-0.432502
+O	 0.1204219309	 0.1004974912	-0.1352277445	-0.253831
+C	 1.3551021168	-0.3569509579	 0.0977683985	 0.194239
+O	 2.1011082443	-0.0574336401	 0.9910481915	-0.309701
+C	-1.831383041	 1.3000636504	 0.1814963757	 0.353154
+C	-2.9364912283	 1.4935950036	-0.2469943385	-0.464532
+H	 1.1182540266	 2.3565688101	-1.2648021289	 0.123244
+H	-0.4182028842	 3.2222020605	-1.1325553668	 0.130622
+H	 1.0755557259	 3.9656835719	-0.537939438	 0.116859
+H	 1.2559166192	 2.2246661007	 1.2566282737	 0.13606
+H	-0.2586520855	 3.1171492919	 1.385737305	 0.109765
+H	-1.1689993865	-0.4423304631	 2.1398217117	 0.131288
+H	 0.3410358599	 0.369658379	 2.6280025885	 0.154453
+H	-1.2248157455	 1.2034333398	 2.7915278373	 0.130719
+H	 1.5954567606	-1.085723633	-0.6936971336	 0.114516
+H	-3.9116716999	 1.6588044577	-0.6346383615	 0.202683
+19
+0 4748	2.5865847	1.0567279	0.9063114	3.5	77.67	-0.2426	-0.01845	0.22415000000000002	1361.5769	0.151803	-422.538465	-422.527614	-422.52667	-422.574525	38.367
+C	 2.8799445049	 2.1221228672	 1.4489872332	-0.414051
+C	 3.2313185919	 0.6406361419	 1.3060542882	-0.182865
+C	 2.6848751684	-0.0149886424	 0.0149885095	 0.142114
+O	 3.1939816253	 0.6561101863	-1.1461089899	-0.451022
+C	 3.2000082872	-1.463452722	-0.1039244766	-0.29111
+C	 2.6323348469	-2.2112430381	-1.2958713402	 0.158874
+O	 2.3969928673	-3.3921924887	-1.2931355539	-0.249737
+C	 1.2130637967	 0.0059839382	 0.0070432596	 0.331862
+C	 0.0111556701	 0.0395492625	-0.007317431	-0.489933
+H	 3.2900554657	 2.5252049156	 2.3790206652	 0.122853
+H	 3.3002490834	 2.7081940752	 0.6253832185	 0.116624
+H	 1.7964027851	 2.2749507768	 1.4649500524	 0.130454
+H	 4.3199699989	 0.5154795252	 1.2908120098	 0.106124
+H	 2.8505905337	 0.0782617918	 2.1658913592	 0.10906
+H	 2.6727355865	 1.4540379359	-1.2823651105	 0.291356
+H	 4.2888634829	-1.4053541428	-0.2368937299	 0.136532
+H	 2.996695077	-2.0353208152	 0.8042064119	 0.127953
+H	 2.4680346334	-1.5861960993	-2.1979013449	 0.096026
+H	-1.0511792053	 0.056012262	-0.0248964507	 0.208886
+19
+0 4749	1.933071	1.3835711	1.0488818	2.717	77.88	-0.24718	-0.02216	0.22502	1241.6586	0.151622	-422.517987	-422.507217	-422.506273	-422.553983	37.894
+C	 1.3862758928	 0.149506841	-0.1808992195	-0.257639
+O	-0.0023615075	 0.0897445296	 0.0999271654	-0.273614
+C	-0.4539774708	 0.6964331188	 1.3163510249	 0.15076
+C	 0.1496672375	 0.0181630823	 2.5619259092	-0.425069
+C	-0.1409098278	 2.2189014697	 1.3220059404	-0.324419
+C	-0.5615162978	 2.8835557822	 0.0269870862	 0.170325
+O	 0.1801875557	 3.5365066529	-0.6621800229	-0.250861
+C	-1.9109161624	 0.4937745021	 1.3212390476	 0.349225
+C	-3.1008588788	 0.3378201739	 1.3693048752	-0.463832
+H	 1.9939582498	-0.344171146	 0.5882459995	 0.110334
+H	 1.5198297461	-0.388277118	-1.1221805947	 0.137209
+H	 1.7428834804	 1.1779944768	-0.3169861081	 0.131046
+H	-0.0302031658	-1.0584758152	 2.5167841708	 0.138599
+H	 1.2255835901	 0.1994661242	 2.6268666623	 0.121941
+H	-0.3171905682	 0.41288533	 3.4675550069	 0.131891
+H	-0.6912448034	 2.6804348591	 2.1508701127	 0.133049
+H	 0.9254117338	 2.3998209368	 1.4789591651	 0.1214
+H	-1.6247356193	 2.7276902915	-0.2526176109	 0.097283
+H	-4.1529046045	 0.1929825683	 1.3973446501	 0.202373
+19
+0 4750	2.6677126	0.780683	0.6249192	3.804	83.72	-0.25942	-0.05206	0.20736	1787.0851	0.153405	-422.547033	-422.536	-422.535055	-422.585174	37.37
+C	-2.4439735053	-2.9937503395	 2.27522481	-0.396666
+C	-2.4169394703	-2.7777126708	 0.7510088527	-0.160785
+C	-2.0184981678	-4.0721436748	-0.0008741604	-0.048652
+O	-2.038828889	-3.9216746797	-1.3998161204	-0.417589
+C	-1.521300788	-1.6921483173	 0.3634237326	 0.054825
+C	-0.7481252468	-0.838291566	-0.0041047272	 0.0189
+C	 0.1754481125	 0.1855481848	-0.4578271575	 0.251475
+C	 0.278768981	 1.4130833302	 0.4234697609	-0.47794
+O	 0.8149469517	 0.0496424057	-1.4797544778	-0.277878
+H	-3.1449297169	-3.7948489838	 2.5284755219	 0.124795
+H	-1.4536049225	-3.2736692039	 2.6464631496	 0.131692
+H	-2.7568594915	-2.085241277	 2.7951718909	 0.131558
+H	-3.4255209333	-2.5084633163	 0.4088318622	 0.12508
+H	-1.034968666	-4.4067671981	 0.3653860437	 0.095916
+H	-2.7471501115	-4.8534039456	 0.2383305391	 0.113
+H	-1.3971609555	-3.2384016396	-1.6289307726	 0.294559
+H	 0.591587315	 1.125786132	 1.4331620076	 0.146164
+H	 0.9969964123	 2.1127041285	-0.0063392191	 0.144248
+H	-0.7020958782	 1.8915716713	 0.5173981339	 0.147299
+19
+0 4751	3.9013493	0.6059241	0.562759	2.9327	84.61	-0.25944	-0.05151	0.20793	2010.065	0.152865	-422.54432	-422.533124	-422.53218	-422.582629	37.729
+C	 0.7013303946	-0.6251658222	-0.7620348896	-0.387256
+C	 0.8434410258	 0.4481336296	 0.3180461995	-0.17761
+C	 1.9455572404	 1.4744802952	-0.0234843011	-0.054418
+O	 1.7177505553	 2.1176126214	-1.2726941671	-0.410938
+C	 2.1051453719	 2.444728288	 1.0624302991	 0.022543
+C	 2.1760653252	 3.2707012488	 1.9415394467	 0.077971
+C	 2.2718570188	 4.268536272	 2.9915601589	 0.249459
+C	 3.0726376561	 3.8571564876	 4.2099443142	-0.478238
+O	 1.7408753415	 5.3534041737	 2.8837835778	-0.275734
+H	-0.1187545069	-1.3088069356	-0.5251325932	 0.115207
+H	 0.5028949264	-0.1688227793	-1.7347437298	 0.135632
+H	 1.6177955835	-1.2188214366	-0.8512185175	 0.117454
+H	-0.1014706251	 0.9902357077	 0.449414006	 0.10466
+H	 1.0800945554	-0.0047340351	 1.2876784808	 0.110226
+H	 2.8916566132	 0.9344909631	-0.1594491034	 0.122419
+H	 1.0002189456	 2.749844466	-1.1496925489	 0.289895
+H	 2.6416186625	 2.9551003935	 4.6575251269	 0.145903
+H	 4.0990793822	 3.6099304498	 3.9181131872	 0.148394
+H	 3.0758301238	 4.6709884822	 4.9363957536	 0.144433
+19
+0 4752	3.7125147	0.6378688	0.5725958	3.3926	84.93	-0.25603	-0.0472	0.20883	1961.5567	0.15237	-422.526732	-422.515499	-422.514554	-422.565163	37.323
+C	-5.1069878329	 3.2333275148	 0.6403078916	-0.233821
+O	-3.7526588103	 2.8444507939	 0.7221707368	-0.242026
+C	-3.1590367358	 2.5414438507	-0.5335519328	-0.047504
+C	-2.7691470755	 3.8060227894	-1.3197073861	-0.39569
+C	-1.9870206554	 1.7026862486	-0.2909846866	 0.038098
+C	-1.0046479824	 1.0180277177	-0.1395069817	 0.096069
+C	 0.1730593201	 0.192876267	 0.0550632928	 0.242392
+C	 0.5596855862	-0.0544873458	 1.498795444	-0.476971
+O	 0.7938885239	-0.2592132609	-0.8836609709	-0.277266
+H	-5.4659979046	 3.3399867173	 1.6663625391	 0.134948
+H	-5.243770318	 4.1933016524	 0.1222475149	 0.110814
+H	-5.7169823486	 2.4727564696	 0.1284291123	 0.109182
+H	-3.871401034	 1.9549418009	-1.1397568584	 0.103395
+H	-2.0670690989	 4.4051403714	-0.7350861709	 0.13897
+H	-2.2979322028	 3.5328905172	-2.2673112778	 0.137394
+H	-3.6546022257	 4.4089021335	-1.5369271784	 0.123005
+H	-0.2651311757	-0.5408677523	 2.0305472147	 0.14867
+H	 1.45182101	-0.6813332263	 1.5354212563	 0.14206
+H	 0.7472323306	 0.8980717108	 2.0059077411	 0.14828
+19
+0 4753	2.9231589	0.7639867	0.6431401	2.6166	82.7	-0.25123	0.01719	0.26842	1754.2051	0.154695	-422.50027	-422.489969	-422.489024	-422.538025	35.558
+C	-4.5417322125	-0.407594963	 1.1700264403	-0.39423
+C	-3.2958807767	-1.2699846166	 0.8990830823	-0.156211
+C	-3.1420852335	-2.3821089178	 1.9647385964	-0.046132
+O	-2.0307625437	-3.216278256	 1.732395209	-0.420591
+C	-2.0733199508	-0.4693254669	 0.8559810631	 0.104235
+C	-1.0367380988	 0.1476691082	 0.8640002275	 0.056721
+C	 0.1837989942	 0.9083338122	 0.8820896959	-0.115757
+C	 1.3060600389	 0.6020221094	-0.0274923547	-0.160038
+O	 1.3692189428	 0.237181009	 1.3452305719	-0.21689
+H	-4.4639269042	 0.0953406428	 2.1386281939	 0.128749
+H	-4.6632401777	 0.3583864087	 0.4002923382	 0.129022
+H	-5.4399560719	-1.032971457	 1.1773024111	 0.120004
+H	-3.4127493049	-1.7717438821	-0.0707639561	 0.113869
+H	-3.1042123102	-1.9149981589	 2.9618500992	 0.092518
+H	-4.0261419941	-3.0272529583	 1.9306971451	 0.10916
+H	-1.2455715869	-2.655411129	 1.7407796294	 0.290491
+H	 0.0935554263	 1.9326844662	 1.2420849922	 0.118403
+H	 1.2030592847	-0.2227896807	-0.7298132652	 0.125681
+H	 1.9734522089	 1.4062218997	-0.3348505895	 0.120996
+19
+0 4754	4.1584434	0.6076139	0.5643858	1.3172	83.29	-0.25578	0.01347	0.26925	1985.1177	0.154208	-422.497775	-422.487358	-422.486414	-422.535235	35.887
+C	-5.6779131165	-1.0764044964	 0.4110913988	-0.386432
+C	-4.2238005592	-0.6457458547	 0.214321671	-0.172703
+C	-3.2608215844	-1.3767085794	 1.1721897044	-0.056238
+O	-3.3431157241	-2.7945726373	 1.0356624005	-0.414196
+C	-1.885038674	-0.8985793416	 1.0080963434	 0.075701
+C	-0.7559251164	-0.5214226442	 0.8171795623	 0.11492
+C	 0.6052941779	-0.1034146833	 0.6237030684	-0.122927
+C	 0.9575644417	 1.3093279809	 0.3756395773	-0.158797
+O	 0.980086412	 0.3641812093	-0.6844042899	-0.21449
+H	-6.0327502461	-0.8205791667	 1.4157557461	 0.114987
+H	-6.3334434743	-0.5814277058	-0.3111478176	 0.111911
+H	-5.7790636727	-2.1574262738	 0.2877440962	 0.132626
+H	-3.8994207844	-0.8430992996	-0.815368826	 0.101201
+H	-4.1132001566	 0.4333230049	 0.3717059537	 0.107421
+H	-3.5847438942	-1.1836648795	 2.2033254362	 0.116319
+H	-2.9062111574	-3.0285712947	 0.2088143057	 0.284747
+H	 1.3594276491	-0.7338932019	 1.0935640042	 0.120065
+H	 0.1610084323	 2.0494295841	 0.3302909809	 0.124713
+H	 1.9286007173	 1.6770586997	 0.7050840344	 0.121171
+19
+0 4755	4.2664855	0.6212873	0.5775027	1.9373	83.86	-0.25344	0.01943	0.27287	1950.5569	0.153647	-422.479713	-422.469228	-422.468283	-422.517497	35.499
+C	-5.3581027131	-1.5260925563	 0.0485525686	-0.231145
+O	-4.0039064372	-1.1749839166	-0.1274124911	-0.241618
+C	-3.1361058436	-1.6809247102	 0.8825953351	-0.045303
+C	-2.7976602656	-3.1657016158	 0.6663247084	-0.391495
+C	-1.9224059684	-0.8644744987	 0.885097671	 0.088271
+C	-0.9016580789	-0.2255164682	 0.8937204351	 0.129014
+C	 0.3032139955	 0.5565851696	 0.9291758444	-0.123338
+C	 0.9187485108	 1.0863801702	-0.3043137675	-0.158116
+O	 1.4940131726	-0.0246562145	 0.3687400189	-0.214813
+H	-5.7359808492	-1.2071494051	 1.0328306112	 0.105715
+H	-5.9225956944	-1.0066083629	-0.7293558925	 0.131646
+H	-5.5367093719	-2.6061674692	-0.0558119889	 0.107952
+H	-3.6281783579	-1.569943443	 1.8645125258	 0.0929
+H	-2.1152263689	-3.5154682357	 1.4454804563	 0.130557
+H	-3.7027360643	-3.7780223619	 0.7030652603	 0.117717
+H	-2.3180073558	-3.298293297	-0.3063337437	 0.137951
+H	 0.4804712326	 1.1042762245	 1.8541996919	 0.116729
+H	 0.4487970365	 0.8664135877	-1.260779461	 0.128119
+H	 1.4841838913	 2.0162466632	-0.2552663525	 0.119258
+19
+0 4756	5.1263492	0.5799521	0.5450521	3.2927	84.08	-0.24622	0.0245	0.27072	2019.2299	0.155607	-422.509419	-422.499359	-422.498415	-422.546004	35.683
+O	 1.0155307295	 5.5576179556	-4.4487756266	-0.419391
+C	 0.9158354256	 4.8420041407	-3.2408006749	-0.051872
+C	 0.9984512911	 3.327364553	-3.5121823855	-0.070167
+O	 2.1645776882	 3.0676241201	-4.3120727349	-0.432201
+C	 0.9760428993	 2.5487473493	-2.2807325357	 0.025189
+C	 0.9968843658	 1.9405213943	-1.2383492628	 0.101537
+C	 1.0092712107	 1.204943658	-0.0091177078	-0.162095
+C	 1.2899757357	-0.291531283	-0.0177048111	-0.250947
+C	-0.0926891783	 0.1970553344	 0.2868156819	-0.249516
+H	 1.7355712516	 5.1341012218	-4.9352370555	 0.286223
+H	 1.7135367117	 5.1153889975	-2.5291055188	 0.081175
+H	-0.0447092493	 5.0895016688	-2.7786122206	 0.115789
+H	 0.1555397166	 3.0528676536	-4.1574269439	 0.120583
+H	 2.9115673582	 2.9944896651	-3.7067670866	 0.286733
+H	 1.3900858972	 1.7506377126	 0.8492481957	 0.112938
+H	 1.4678839756	-0.7516789308	-0.9821008516	 0.130918
+H	 1.8939079623	-0.6837437612	 0.7926082585	 0.121819
+H	-0.8574427278	 0.0699175647	-0.4696864186	 0.130891
+H	-0.4499537737	 0.1453461055	 1.3089220786	 0.122391
+19
+0 4757	3.2198865	0.6253091	0.5415255	1.2189	82.43	-0.25394	-0.03329	0.22065	1990.7495	0.153352	-422.538378	-422.5274	-422.526456	-422.577428	36.891
+C	 3.1503090434	-2.4789893663	-0.8741134573	-0.393825
+C	 1.72088522	-1.9095739731	-0.9190589002	-0.151992
+C	 1.3323970466	-1.2676113697	 0.4334252687	-0.046306
+O	 0.0456956231	-0.6918167027	 0.4181743904	-0.419909
+C	 0.7344441741	-2.9295735592	-1.2774239839	 0.101323
+C	-0.111422763	-3.7556452011	-1.5162764083	-0.002969
+C	-1.0676328108	-4.7946614655	-1.8733281881	-0.415391
+C	-0.4993620688	-5.7728801873	-2.9059422344	 0.174445
+O	-0.7190651068	-6.9525841232	-2.8943412063	-0.228719
+H	 3.2324325696	-3.2663626929	-0.1187443623	 0.128995
+H	 3.4319686424	-2.9067791073	-1.8393171642	 0.128562
+H	 3.8652294091	-1.6879653059	-0.6269081451	 0.120014
+H	 1.6783751919	-1.1124270105	-1.6732188804	 0.113669
+H	 1.4335430502	-2.0244823926	 1.2278936986	 0.091431
+H	 2.0325019329	-0.4554495991	 0.6542741667	 0.110205
+H	-0.571845849	-1.3897083727	 0.168670818	 0.283952
+H	-1.4046025874	-5.3728313265	-1.0068227717	 0.155234
+H	-1.9651849836	-4.34651806	-2.3272228847	 0.156209
+H	 0.130308906	-5.2955888344	-3.6877059056	 0.095071
+19
+0 4758	3.8075993	0.5604149	0.5052827	1.6143	82.67	-0.25369	-0.03295	0.22074000000000002	2139.6169	0.152844	-422.536187	-422.525078	-422.524134	-422.575406	37.224
+C	 3.1182525102	-4.4474739554	-2.4449569749	-0.3868
+C	 2.7711694296	-3.0777520787	-1.86017115	-0.173028
+C	 1.4102308806	-3.0759206362	-1.1349322276	-0.052944
+O	 1.3622963438	-4.0428970127	-0.0866349075	-0.413647
+C	 1.0663900894	-1.7348264531	-0.6509804654	 0.057086
+C	 0.805992201	-0.6381813565	-0.2247522713	 0.069507
+C	 0.5230976638	 0.7069252664	 0.2529610574	-0.417753
+C	 1.6358580973	 1.6988106711	-0.096678426	 0.173473
+O	 1.4351511751	 2.8403519575	-0.4078772354	-0.228286
+H	 3.1114759885	-5.2123237292	-1.6645353479	 0.132313
+H	 2.3918096985	-4.7445213101	-3.2095553247	 0.116499
+H	 4.1077272569	-4.4350498231	-2.9108850931	 0.112239
+H	 3.5410300218	-2.7579290601	-1.1458279707	 0.094769
+H	 2.7434790957	-2.3151938055	-2.6470288657	 0.108798
+H	 0.6397046126	-3.4059770856	-1.8436616792	 0.117474
+H	 1.9069389521	-3.7103153996	 0.6356937228	 0.282292
+H	-0.4214860082	 1.0995420219	-0.1374818393	 0.158122
+H	 0.436431767	 0.7060714499	 1.3506881627	 0.157806
+H	 2.6620882245	 1.277031209	-0.025030054	 0.09208
+19
+0 4759	4.6890588	0.54505	0.5112014	2.8062	83.36	-0.24875	-0.02904	0.21971	2136.4556	0.152335	-422.518432	-422.507275	-422.506331	-422.557728	36.807
+C	 2.0859763733	-4.4838706404	-2.8785181367	-0.231528
+O	 2.0964665636	-3.1679818165	-2.3717693385	-0.241892
+C	 1.6287521589	-3.0569632236	-1.0310250537	-0.039646
+C	 2.696778304	-3.4817009549	-0.0093040878	-0.392518
+C	 1.2125455192	-1.6708338174	-0.8136518483	 0.071633
+C	 0.8603618676	-0.5379152458	-0.6107447471	 0.080447
+C	 0.48691673	 0.8424696543	-0.3420110777	-0.417617
+C	 1.5307681617	 1.5744350287	 0.5052076952	 0.171665
+O	 1.2544727506	 2.3670030126	 1.3634187189	-0.230336
+H	 2.7962205387	-5.146227193	-2.3625516108	 0.107939
+H	 1.0835767575	-4.9358491136	-2.8147966254	 0.106345
+H	 2.3759379332	-4.4195907791	-3.9299003377	 0.132005
+H	 0.7440381161	-3.7052560766	-0.9062965474	 0.093313
+H	 2.313664489	-3.3677164009	 1.0083550256	 0.128365
+H	 2.977131762	-4.5285663051	-0.1537703185	 0.118774
+H	 3.5868969271	-2.8579982913	-0.122544293	 0.134109
+H	 0.4033034739	 1.3980558742	-1.2889559146	 0.159303
+H	-0.4822432621	 0.9247404645	 0.1607641956	 0.154571
+H	 2.5826192557	 1.3208339938	 0.2504273418	 0.09507
+19
+0 4760	3.2588711	0.812318	0.6969733	4.5818	83.17	-0.25338	-0.0577	0.19568	1655.9769	0.153653	-422.548598	-422.537633	-422.536689	-422.587024	37.071
+C	 1.4835292719	 0.7710835295	-0.5545796252	-0.506566
+C	 0.125698479	 0.3770905155	-0.2221085017	 0.181499
+C	-1.0024959284	 0.0588232331	 0.0675061453	-0.014448
+C	-2.3477598217	-0.3387353367	 0.4223769198	 0.210403
+O	-2.8030784805	-0.0902371689	 1.5262577421	-0.329754
+C	-3.1414330628	-1.0931819844	-0.6431162719	-0.107675
+C	-3.1866692976	-0.3175095216	-1.9709343482	-0.411525
+C	-4.5521140636	-1.4298381507	-0.1344746168	-0.066008
+O	-4.5504206391	-2.2313404465	 1.0259550608	-0.430808
+H	 2.125501588	 0.7616801798	 0.3322918013	 0.16582
+H	 1.9206671063	 0.1019482375	-1.3028854704	 0.161099
+H	 1.4970746444	 1.7866914948	-0.9655365999	 0.166014
+H	-2.599361433	-2.0359970949	-0.8074513131	 0.111367
+H	-3.7227306076	 0.6305261726	-1.854270763	 0.127197
+H	-2.1824928182	-0.0952083172	-2.3387769185	 0.130561
+H	-3.7070956987	-0.9063172311	-2.7320521377	 0.125568
+H	-5.1079295925	-0.4912553573	 0.0200851586	 0.091469
+H	-5.0797223936	-1.9967072311	-0.9092449427	 0.101424
+H	-4.1634240725	-1.6775595024	 1.7160318311	 0.294364
+19
+0 4761	2.3912477	0.901269	0.6870261	4.2659	83.91	-0.26298	-0.06012	0.20285999999999998	1668.3147	0.153182	-422.551369	-422.540349	-422.539404	-422.589769	37.226
+C	-4.0265718995	 3.0410301978	 1.7414950936	-0.381803
+C	-3.2775917959	 1.727238794	 1.5108610429	-0.185825
+C	-3.4769024262	 1.1989150468	 0.0765541548	 0.03785
+O	-4.8342691808	 0.9864275908	-0.2022038646	-0.43836
+C	-2.7073456308	-0.1045296009	-0.1475590647	 0.184839
+O	-3.3160129411	-1.1225908279	-0.4270912841	-0.326549
+C	-1.2745584553	-0.0631808466	-0.0236110302	 0.026344
+C	-0.0718051654	-0.008743152	 0.0661033023	 0.137718
+C	 1.3758982021	 0.0360361117	 0.1673691125	-0.505927
+H	-3.9116922027	 3.3795475046	 2.7755514546	 0.110358
+H	-3.6475701968	 3.83197968	 1.0845634808	 0.112017
+H	-5.0919369237	 2.9132868904	 1.5353809404	 0.142251
+H	-2.2055348233	 1.8577682842	 1.6966520273	 0.101724
+H	-3.6383679571	 0.9618086643	 2.2088001223	 0.10519
+H	-3.0614402971	 1.9424838223	-0.6260909459	 0.089584
+H	-4.9084901785	 0.0376669567	-0.3982899695	 0.292717
+H	 1.7481377599	-0.7854126302	 0.7886688671	 0.167623
+H	 1.832154603	-0.0648937412	-0.8235036684	 0.168446
+H	 1.7188181891	 0.9795512652	 0.6037350389	 0.161803
+19
+0 4762	3.1122043	0.8139347	0.7318824	3.9244	83.7	-0.24145	-0.04997	0.19147999999999998	1641.046	0.152527	-422.530689	-422.51943	-422.518485	-422.568992	37.348
+C	-4.7833421547	 0.3578100065	-1.9821866784	-0.245918
+O	-4.5653653978	 0.9650289665	-0.722624783	-0.22613
+C	-3.2196158517	 1.1478480327	-0.3820318673	 0.027276
+C	-3.1730380756	 2.0804177973	 0.8318594737	-0.405215
+C	-2.508719484	-0.1817250007	-0.0583597478	 0.189943
+O	-3.1032091874	-1.2318389605	 0.0497343715	-0.291568
+C	-1.0707939063	-0.0840739847	 0.1032609851	 0.031746
+C	 0.127190547	 0.0015343918	 0.2281158916	 0.102994
+C	 1.5690539195	 0.0827663725	 0.384566783	-0.503911
+H	-4.426630133	-0.6776686353	-2.0050815538	 0.132375
+H	-5.862284607	 0.3669032326	-2.1527446878	 0.1276
+H	-4.2936394358	 0.9264817251	-2.7884713491	 0.098282
+H	-2.6626130006	 1.6111639336	-1.2172035515	 0.076572
+H	-3.7260914684	 1.6334153912	 1.6626753424	 0.139187
+H	-2.1429705703	 2.2619581826	 1.1466032774	 0.127793
+H	-3.6419110004	 3.0332706861	 0.5757012322	 0.130519
+H	 1.8505090695	-0.0551674821	 1.4343275021	 0.165336
+H	 2.068922085	-0.6991278548	-0.1971040542	 0.164865
+H	 1.955411222	 1.0529627896	 0.0558711241	 0.158255
+19
+0 4763	2.439532	1.0410564	0.9271568	3.0189	77.15	-0.25096	-0.03205	0.21891000000000002	1360.4304	0.153512	-422.543753	-422.533347	-422.532402	-422.579677	37.117
+C	-1.8183461087	 1.6477840224	-2.1388064241	-0.421774
+C	-1.2652683224	 2.0402365366	-0.7550940171	-0.107031
+C	-0.7157374254	 3.475541065	-0.7568018014	-0.061456
+O	-0.2820907265	 3.9092381178	 0.5133637944	-0.429974
+C	-0.207040699	 1.0544982995	-0.2782395348	 0.403141
+O	 0.9095516457	 1.3991945943	 0.043185681	-0.323547
+C	-0.557583801	-0.4482045217	-0.2324043621	-0.445791
+C	-1.8996649311	-0.7653416079	 0.2314801396	 0.305904
+C	-3.0059755094	-1.0215749197	 0.6249764484	-0.450164
+H	-1.0240973429	 1.628009891	-2.8929832421	 0.125432
+H	-2.3050648835	 0.6700552912	-2.1200053296	 0.1368
+H	-2.5632305654	 2.3818240896	-2.460392708	 0.130406
+H	-2.0848716519	 1.9799571904	-0.0263359067	 0.123337
+H	 0.0870584993	 3.5510715311	-1.5074064776	 0.09061
+H	-1.5156320789	 4.157012945	-1.0661425171	 0.104389
+H	 0.4916092561	 3.3703633435	 0.7192182885	 0.294015
+H	-0.4153972171	-0.8370634718	-1.2509711768	 0.15906
+H	 0.202436591	-0.9268030375	 0.3923454301	 0.160286
+H	-3.9813334788	-1.2519539587	 0.9766474256	 0.206356
+19
+0 4764	1.9043925	1.2671929	0.8735778	2.5196	77.54	-0.26141	-0.03348	0.22792999999999997	1372.9991	0.153058	-422.546248	-422.535757	-422.534813	-422.582373	37.291
+C	 4.425223992	-3.8548604397	 0.8347359473	-0.381817
+C	 4.1886905283	-2.465712484	 0.2388527041	-0.195693
+C	 3.0923742966	-2.4912346229	-0.8495018501	 0.047272
+O	 3.410017083	-3.40230786	-1.8691565267	-0.439395
+C	 2.8924906559	-1.1042503739	-1.450017442	 0.370505
+O	 3.1192911314	-0.9170620463	-2.6247950148	-0.322049
+C	 2.4610347666	 0.0662052235	-0.5558470295	-0.454435
+C	 1.5403811628	-0.2654521315	 0.5216990139	 0.306722
+C	 0.7732117428	-0.5346913097	 1.4063903162	-0.445944
+H	 3.5258217246	-4.2243837765	 1.3394739862	 0.115858
+H	 4.688444022	-4.5661498627	 0.0486397736	 0.143151
+H	 5.2364215255	-3.8306495376	 1.5684191616	 0.111218
+H	 3.8971157936	-1.7634539806	 1.0280034311	 0.106756
+H	 5.1149734093	-2.0907292625	-0.2144724828	 0.102833
+H	 2.1434947711	-2.7842058932	-0.3727111494	 0.104751
+H	 3.5129501193	-2.8669857616	-2.6719613667	 0.291849
+H	 3.3838949257	 0.4943226896	-0.1380435447	 0.1659
+H	 2.0406018775	 0.8296541668	-1.2178631619	 0.164746
+H	 0.093336572	-0.772442557	 2.1870558046	 0.207772
+19
+0 4765	2.3568655	1.0700643	0.9661306	2.3786	77.89	-0.23572	-0.0234	0.21232	1344.7618	0.152149	-422.525379	-422.514577	-422.513633	-422.561993	37.493
+C	 1.1727096105	-0.6452996547	-0.4318694329	-0.244332
+O	-0.0503076295	-0.0901541368	 0.01234674	-0.22799
+C	 0.0143104484	 0.5615690184	 1.2519007711	 0.029218
+C	-1.2598106558	 1.4021165282	 1.3970510442	-0.415461
+C	 0.1410211206	-0.4269977692	 2.4215036898	 0.368442
+O	 0.0824448627	-1.620731569	 2.2703525209	-0.293774
+C	 0.2994305632	 0.14871642	 3.8491901959	-0.45384
+C	 1.0121226401	 1.4114852551	 3.9696631188	 0.30617
+C	 1.6069517977	 2.4507944935	 4.0752558017	-0.452667
+H	 1.5066508984	-1.4689133979	 0.208836865	 0.12981
+H	 0.9962450464	-1.0283246483	-1.4396262441	 0.128314
+H	 1.9641274443	 0.1192855782	-0.4785997977	 0.099808
+H	 0.8903732674	 1.2307500394	 1.2977161878	 0.094206
+H	-1.2398685978	 1.9985895468	 2.3118674443	 0.131392
+H	-1.3369529832	 2.0775434712	 0.5421384151	 0.136021
+H	-2.1414323361	 0.7547015781	 1.4041444582	 0.136004
+H	-0.7181308981	 0.2565596703	 4.2512196803	 0.161972
+H	 0.7796856037	-0.6349637917	 4.4435356231	 0.162175
+H	 2.1345843271	 3.3678509284	 4.1683646982	 0.204533
+19
+0 4766	1.8681769	1.4008079	0.8796132	2.7418	78.76	-0.25005	-0.03339	0.21666	1325.7911	0.152684	-422.529748	-422.518974	-422.51803	-422.566054	37.696
+C	 4.6027531969	-1.1474193427	 0.943121309	-0.411801
+C	 3.069200595	-1.2131853537	 0.8913153031	-0.052693
+C	 2.6502844155	-2.5947795108	 0.3541756516	-0.045507
+O	 1.2853692323	-2.7358591695	 0.0264392972	-0.413734
+C	 2.4545761304	-0.0620931037	 0.0293058316	-0.21325
+C	 3.1602548364	 1.2682680437	 0.3224831474	 0.157479
+O	 3.8919569925	 1.8266278143	-0.4484521705	-0.247621
+C	 1.0339623557	 0.1401335751	 0.2996152521	 0.281094
+C	-0.1031634032	 0.4054596797	 0.5906551838	-0.437491
+H	 5.0022842596	-2.0308609441	 1.4511641559	 0.120379
+H	 5.0293589633	-1.1151322429	-0.064937625	 0.136089
+H	 4.962624268	-0.2670838945	 1.481953997	 0.130144
+H	 2.6760220345	-1.1004341766	 1.9104413572	 0.086161
+H	 3.1963849875	-2.7956277202	-0.5757064186	 0.111362
+H	 2.9728219898	-3.354281641	 1.0857227304	 0.091857
+H	 0.7526773183	-2.3890795802	 0.7497866221	 0.285162
+H	 2.6213348855	-0.2826063548	-1.0312176888	 0.128322
+H	 2.9352175227	 1.6854435244	 1.3288560401	 0.090165
+H	-1.1209314108	 0.6174770874	 0.8090922445	 0.203883
+19
+0 4767	2.0147369	1.2143601	0.8005455	1.2799	79.23	-0.25319	-0.03762	0.21557000000000004	1428.2636	0.152198	-422.53309	-422.522138	-422.521194	-422.570291	37.954
+C	 1.0817785592	-0.9152291497	 0.9442341217	-0.389901
+C	 0.8229443219	 0.070675506	-0.19755927	-0.197595
+C	 1.6265594743	 1.3676475059	-0.0484375679	 0.133097
+O	 1.3157505897	 2.04930315	 1.1515253495	-0.417503
+C	 1.4426980794	 2.3071270235	-1.2906031642	-0.312504
+C	 2.0762975382	 1.6698927007	-2.5321500496	 0.162136
+O	 1.4567133696	 1.1121119774	-3.3971520304	-0.244301
+C	 2.0465318418	 3.6161275692	-1.0812070489	 0.312679
+C	 2.5867013308	 4.6838938266	-0.9691315715	-0.423619
+H	 0.4516461778	-1.8036310303	 0.8451453394	 0.116047
+H	 2.1262689175	-1.245467159	 0.9495527845	 0.118078
+H	 0.8757795964	-0.4501367254	 1.9115853759	 0.129969
+H	 1.0520926912	-0.3943330469	-1.1624501465	 0.122476
+H	-0.2451548166	 0.3303653302	-0.2360871313	 0.092461
+H	 2.6946308862	 1.1327145624	 0.0402867807	 0.100693
+H	 0.381359253	 2.2866561429	 1.1291548636	 0.282303
+H	 0.3684597584	 2.4034877132	-1.4940372754	 0.115642
+H	 3.1842854456	 1.7569379143	-2.5634469802	 0.098003
+H	 3.0467826257	 5.633129669	-0.8455665794	 0.20184
+19
+0 4768	2.0051333	1.2893983	0.8293139	2.8667	79.15	-0.25297	-0.03518	0.21778999999999998	1386.5463	0.1517	-422.518083	-422.507042	-422.506098	-422.555502	37.574
+C	 1.041991397	 0.2377818681	-0.6493046332	-0.240067
+O	 0.5149661571	-0.3704031183	 0.5087933743	-0.238479
+C	-0.1513712321	 0.5125930345	 1.3911864488	 0.122851
+C	-1.6008180294	 0.7473370826	 0.9632849676	-0.41028
+C	-0.0532572895	-0.148080778	 2.7962127622	-0.264771
+C	-0.7396494817	 0.7233076104	 3.8544844562	 0.158074
+O	-1.7988950162	 0.4652732843	 4.3580437221	-0.244909
+C	 1.3329615368	-0.3491379217	 3.1998434352	 0.30431
+C	 2.462045172	-0.4564700789	 3.5978720568	-0.430284
+H	 1.5652721242	-0.5423972367	-1.2069274972	 0.133778
+H	 0.2613181622	 0.6640377979	-1.2960468902	 0.108143
+H	 1.7579442102	 1.034440925	-0.3967649779	 0.11121
+H	 0.3876941094	 1.4734192164	 1.4287073333	 0.076629
+H	-2.1136707503	 1.4362986887	 1.6402581872	 0.132323
+H	-1.6366139427	 1.1780415859	-0.0409464223	 0.120933
+H	-2.1511971578	-0.1980254336	 0.9520459763	 0.135156
+H	-0.5903777358	-1.1020514178	 2.7560392586	 0.131831
+H	-0.1655827514	 1.636297916	 4.1266220913	 0.092852
+H	 3.4638639782	-0.5794635345	 3.9282173809	 0.200699
+19
+0 4769	1.9059964	1.4109796	1.1906148	3.0987	77.24	-0.25299	0.01395	0.26694	1185.3832	0.15375	-422.502085	-422.492097	-422.491152	-422.536794	36.65
+C	 3.4150975074	 0.4227248046	 1.5584249724	-0.418714
+C	 2.0353761011	 0.8662068463	 2.0590393115	-0.08851
+C	 2.1140264982	 1.546793614	 3.438119417	-0.048179
+O	 0.8590678539	 1.6370103482	 4.0807093029	-0.435533
+C	 1.3396327937	 1.782428316	 1.0512888116	 0.177933
+C	 0.2252290961	 1.2714341958	 0.2250907323	-0.220364
+O	-0.0473216088	 2.0820938421	 1.365644651	-0.280046
+C	 2.091640826	 2.919387557	 0.5707292189	 0.335569
+C	 2.7349885295	 3.8574891089	 0.1821414456	-0.435815
+H	 3.8517571195	-0.3038261527	 2.2497537555	 0.122157
+H	 3.3501755321	-0.0458510061	 0.5714231699	 0.118477
+H	 4.099515183	 1.2725015752	 1.4786946131	 0.135038
+H	 1.3931687547	-0.0141020529	 2.1815401507	 0.088201
+H	 2.7566982414	 0.9514235118	 4.0963739066	 0.10056
+H	 2.5904185452	 2.5357153849	 3.3274257622	 0.09312
+H	 0.226078193	 1.972256757	 3.4347629598	 0.29763
+H	 0.0113491353	 1.740290843	-0.7328500305	 0.129436
+H	-0.0538860889	 0.2225348409	 0.3137864859	 0.124412
+H	 3.2949754976	 4.6917037761	-0.1630366465	 0.204628
+19
+0 4770	2.240935	1.2097393	1.0354684	1.2372	77.74	-0.26117	0.01486	0.27603	1279.2785	0.153193	-422.503462	-422.493248	-422.492304	-422.538647	36.947
+C	 2.5904464779	 0.4505125631	-1.9789237983	-0.386664
+C	 1.8962573238	 0.6180411229	-0.6257643702	-0.195519
+C	 2.3749449115	 1.8611144019	 0.1323622318	 0.030239
+O	 3.7710701455	 1.8484607021	 0.3863957788	-0.429289
+C	 1.6024336891	 2.0609026567	 1.4395608465	 0.213658
+C	 1.1581740359	 3.4094534244	 1.8393680641	-0.219326
+O	 0.2360980869	 2.4750805525	 1.2800845861	-0.269429
+C	 1.858729219	 1.0656539556	 2.4571045648	 0.290281
+C	 2.1263699813	 0.2172016069	 3.2668020537	-0.436619
+H	 2.26377683	-0.4666005157	-2.4776379592	 0.111302
+H	 2.3651965817	 1.2911857657	-2.6446031583	 0.114924
+H	 3.6757541011	 0.4079724918	-1.8545007557	 0.12751
+H	 0.8106474051	 0.6959561985	-0.7562233288	 0.116931
+H	 2.0720071306	-0.265002736	 0.0030052176	 0.098667
+H	 2.1986780573	 2.7488504772	-0.4856246429	 0.093988
+H	 3.9480658415	 1.1097943293	 0.9823028259	 0.283808
+H	 1.0134856562	 3.6333899915	 2.8942101214	 0.126303
+H	 1.4195431229	 4.2550255818	 1.2049074333	 0.124037
+H	 2.3396260227	-0.5244095702	 3.9972704293	 0.205198
+19
+0 4771	1.8782111	1.3763776	1.3008759	1.7906	77.6	-0.25517	0.02042	0.27559	1172.0941	0.152702	-422.487191	-422.476941	-422.475997	-422.522412	36.62
+C	 1.3303355584	-0.1814201974	-0.2646126293	-0.238037
+O	-0.0535708597	-0.1386129205	 0.0082078358	-0.231805
+C	-0.4150101129	 0.6046628012	 1.1528282596	 0.050881
+C	-1.931028734	 0.7501158281	 1.1392216032	-0.414493
+C	 0.0670672585	-0.0584192964	 2.4517678341	 0.174455
+C	 1.2687507513	 0.4551446567	 3.1448850952	-0.220337
+O	-0.0321919805	 0.8048076873	 3.6006763241	-0.268827
+C	-0.3266480301	-1.4324357748	 2.654843783	 0.328371
+C	-0.6577162566	-2.5780483734	 2.8044112795	-0.434008
+H	 1.8882749968	-0.7610945961	 0.4835509948	 0.114041
+H	 1.4473136507	-0.6657469729	-1.2369501963	 0.13046
+H	 1.7642841669	 0.8293889172	-0.3185949241	 0.101889
+H	 0.0533243621	 1.6030625367	 1.1222689147	 0.06979
+H	-2.2603315675	 1.3335550659	 2.0025334559	 0.133918
+H	-2.2467215407	 1.2555316014	 0.2234272664	 0.122276
+H	-2.4044950918	-0.2346625716	 1.1750448132	 0.137125
+H	 1.8309532892	-0.2118442636	 3.7956972249	 0.126408
+H	 1.8394895992	 1.2614968314	 2.6851650395	 0.11716
+H	-0.9531108995	-3.5892756393	 2.9400930256	 0.200732
+19
+0 4772	2.2673214	1.2013931	1.0280972	2.4607	77.83	-0.24772	0.03262	0.28034	1261.0478	0.15466	-422.513013	-422.503173	-422.502229	-422.547614	36.624
+O	 1.5812765299	 0.4208106269	-0.3984385905	-0.424997
+C	 0.2441570148	 0.1311646247	-0.0515629582	-0.067649
+C	-0.6908835268	 0.4422390312	-1.22617358	 0.018622
+O	-0.4429685545	 1.7732008356	-1.6786279905	-0.446594
+C	-2.1655133895	 0.2218751377	-0.9028367106	 0.149248
+C	-3.0905825149	-0.2065967125	-2.0332860802	-0.302205
+C	-2.7112725234	-1.1972903361	-0.9743181707	-0.298724
+C	-2.6952367264	 1.1227120757	 0.087307374	 0.252875
+C	-3.0982881174	 1.9215702433	 0.8934732086	-0.457955
+H	 1.5410469733	 1.2626728069	-0.8714472804	 0.284586
+H	 0.190798679	-0.9317436154	 0.2073292729	 0.104899
+H	-0.0830384271	 0.7064322781	 0.8308633514	 0.089226
+H	-0.4145098307	-0.2019113126	-2.0685994415	 0.091132
+H	-0.8859015818	 2.3687998831	-1.0592857412	 0.28743
+H	-4.0982324986	 0.1908625797	-2.0255806541	 0.131247
+H	-2.6437611372	-0.298444864	-3.0169021807	 0.130147
+H	-3.4560580478	-1.4818572993	-0.2410426686	 0.13152
+H	-2.0046429748	-1.9802852674	-1.2282359326	 0.127059
+H	-3.4697790861	 2.6039754246	 1.6176185827	 0.200133
+19
+0 4773	3.0977422	0.926722	0.7522776	2.9998	79.71	-0.25646	0.01053	0.26699	1502.3683	0.153938	-422.50073	-422.490696	-422.489752	-422.535909	36.272
+C	-0.7453914485	-1.2388520701	 4.295993495	-0.410979
+C	-0.8052590341	 0.1375527406	 3.6217049385	-0.05306
+C	-0.4245053615	 1.2702429523	 4.5948388095	-0.039647
+O	-0.76084766	 2.5507004005	 4.1057126841	-0.432569
+C	 0.1085177619	 0.1636858945	 2.4118431867	 0.071449
+O	 0.1487308112	 1.3747946515	 1.6423328678	-0.255324
+C	-0.4003541387	 0.1925765273	 1.0234558213	-0.172305
+C	 0.3363975348	-0.3697327444	-0.0746900334	 0.312329
+C	 0.9296771634	-0.8518832586	-1.0019186115	-0.401708
+H	-1.4451569278	-1.2889380075	 5.13505697	 0.125737
+H	-1.001040002	-2.0393379606	 3.594802887	 0.124134
+H	 0.258346898	-1.4453186725	 4.6848857358	 0.123132
+H	-1.8311820845	 0.3414450664	 3.291160366	 0.087141
+H	-0.9748598933	 1.1403416589	 5.5336644732	 0.102351
+H	 0.6501866797	 1.1938825334	 4.8393108131	 0.08198
+H	-0.4377835678	 2.6055940302	 3.1978546911	 0.297084
+H	 1.0961442409	-0.2762324653	 2.5612571331	 0.10839
+H	-1.4807938442	 0.2317202056	 0.8898501778	 0.125502
+H	 1.4589298924	-1.2749293723	-1.8200253453	 0.206363
+19
+0 4774	4.5549634	0.7506613	0.6815453	1.4359	79.92	-0.25839	0.01913	0.27752	1660.3952	0.153169	-422.500583	-422.49023	-422.489286	-422.536393	36.793
+C	 1.3182193064	-0.8774961126	 1.0134091963	-0.384933
+C	 0.9649691064	 0.0666466701	-0.1378058063	-0.197076
+C	 1.5733226445	 1.4640402472	 0.0234189015	 0.098249
+O	 1.1521681155	 2.1119512348	 1.21877788	-0.425864
+C	 1.2701207549	 2.3375576646	-1.1792195735	 0.043993
+O	 1.9821645904	 2.0486431661	-2.3777690983	-0.242831
+C	 2.2545546575	 3.2993128158	-1.7111068126	-0.167689
+C	 1.8555304392	 4.5051822786	-2.3841845943	 0.318319
+C	 1.5397308553	 5.5257134753	-2.934877676	-0.406337
+H	 0.8256407793	-1.8467191819	 0.8937352488	 0.113638
+H	 2.3983790902	-1.0539650712	 1.0580387967	 0.119296
+H	 1.0129822092	-0.4516448324	 1.9730327784	 0.125956
+H	 1.3073937313	-0.3449813504	-1.0943745773	 0.121781
+H	-0.1277476782	 0.1687619917	-0.2210260331	 0.085742
+H	 2.6624188027	 1.3729144898	 0.1146847175	 0.095023
+H	 0.1882526548	 2.1290044395	 1.223501852	 0.281721
+H	 0.2133851	 2.5723702209	-1.3314601737	 0.095809
+H	 3.229927759	 3.3358224743	-1.2271536526	 0.122111
+H	 1.2582362014	 6.4256951798	-3.4235937235	 0.203094
+19
+0 4775	2.6784135	1.0248387	0.7950302	1.6174	79.45	-0.25522	0.01598	0.2712	1448.75	0.152807	-422.486595	-422.476269	-422.475325	-422.522322	36.37
+C	 1.4166073466	-0.0991808478	-0.2412243029	-0.241041
+O	 0.0276983673	-0.1414714439	 0.0104207109	-0.239587
+C	-0.396413258	 0.6154975052	 1.130061078	 0.091857
+C	-1.9152852113	 0.7205885931	 1.0575446518	-0.406103
+C	 0.0361281074	-0.0469592196	 2.4286332629	 0.05365
+O	-0.1461826288	 0.7180352574	 3.6161468558	-0.24334
+C	 1.2014753015	 0.4233400278	 3.2098790566	-0.166138
+C	 1.9689575666	-0.4646121076	 4.0401799852	 0.316551
+C	 2.6340296179	-1.1981824382	 4.7215249604	-0.40596
+H	 2.0047448135	-0.5811000207	 0.5519913076	 0.116981
+H	 1.5868139869	-0.6368637016	-1.1770073062	 0.130809
+H	 1.774375928	 0.9357663739	-0.3581343947	 0.103999
+H	 0.0451552118	 1.6262308845	 1.0951868518	 0.069264
+H	-2.2941955794	 1.2902299667	 1.9098229255	 0.135553
+H	-2.2135163128	 1.2186676144	 0.1317886767	 0.124398
+H	-2.3654772009	-0.2768744032	 1.0715992243	 0.126291
+H	-0.2375756295	-1.0994958189	 2.5178414883	 0.110255
+H	 1.7426769356	 1.2903662994	 2.8312157395	 0.118227
+H	 3.2155856176	-1.8484359408	 5.3275026585	 0.204334
+19
+0 4776	3.2263113	0.8370979	0.7087226	2.0804	79.36	-0.24356	0.04881	0.29237	1573.4666	0.154432	-422.511124	-422.50107	-422.500126	-422.546416	36.691
+O	 1.476942482	 0.7201515771	-0.5072337888	-0.432721
+C	 0.1607637079	 0.4173558157	-0.0509426669	-0.102321
+C	-0.7449576921	 0.4896771364	-1.2798248476	 0.118389
+O	-0.607763968	 1.7566249099	-1.8999828723	-0.447596
+C	-2.1954090086	 0.2883437233	-0.9240216372	-0.000208
+C	-3.1706526117	-0.1783650033	-1.9610176095	-0.290082
+C	-2.7538372313	-1.1276229435	-0.8481023401	-0.214421
+C	-3.6724029464	-1.4861546422	 0.1919656197	 0.30535
+C	-4.4414939203	-1.7887401167	 1.0663612803	-0.440166
+H	 2.0308820516	 0.9163067506	 0.2530226404	 0.295563
+H	 0.1115491916	-0.5828352442	 0.402536338	 0.099032
+H	-0.1797824778	 1.1545967135	 0.6905886632	 0.097017
+H	-0.4320293705	-0.3104681753	-1.9746048119	 0.065838
+H	 0.3383797201	 1.9510790253	-1.876400111	 0.288485
+H	-2.5788848814	 0.9845857884	-0.1843168144	 0.102215
+H	-4.17938343	 0.2142816452	-1.9270357715	 0.127254
+H	-2.7939462293	-0.3912377863	-2.9553920654	 0.123707
+H	-2.0684531523	-1.9184577664	-1.1421623243	 0.111782
+H	-5.1210502737	-2.0567097375	 1.8365030295	 0.192882
+19
+0 4777	3.6936631	0.589265	0.546884	2.881	84.25	-0.26252	-0.05697	0.20554999999999998	1994.9738	0.153602	-422.535047	-422.524148	-422.523204	-422.572964	36.754
+C	 2.9716099622	-2.0694488545	 1.6946593961	-0.403802
+C	 1.9530676043	-1.9610261597	 0.5562664386	 0.005206
+C	 2.6447513098	-2.0400633605	-0.8113124653	-0.07126
+O	 1.7417272188	-1.9681099279	-1.9043064082	-0.417024
+C	 1.117123061	-0.6616712513	 0.6409589028	-0.359392
+C	 0.2450225935	-0.5950791576	 1.8009489552	 0.08035
+C	-0.4774654707	-0.5786315503	 2.7703483866	 0.043318
+C	-1.3451655624	-0.5078133659	 3.9151020304	 0.02059
+O	-1.623710301	-1.4456381646	 4.6281571877	-0.233771
+H	 3.5269256487	-3.011112704	 1.6393604229	 0.119062
+H	 3.6981523996	-1.2493825691	 1.6501770331	 0.117037
+H	 2.476430003	-2.0269776495	 2.6684419652	 0.139495
+H	 1.2553214961	-2.8073870762	 0.6296356276	 0.0839
+H	 3.3245926884	-1.1881747844	-0.9336454915	 0.11183
+H	 3.2577155737	-2.9527910205	-0.8582979066	 0.093497
+H	 1.2084279082	-2.7697504604	-1.9013271408	 0.285869
+H	 1.7904353399	 0.2073076666	 0.6421542106	 0.134591
+H	 0.5145957333	-0.5756130587	-0.2713343719	 0.154375
+H	-1.7577203464	 0.5039028384	 4.1081628674	 0.096128
+19
+0 4778	6.2595506	0.5168716	0.4956918	4.4443	84.68	-0.26164	-0.05642	0.20521999999999999	2181.2288	0.153179	-422.53546	-422.524428	-422.523483	-422.57387	36.953
+C	-5.197707258	 1.6689197708	 2.3808072169	-0.387131
+C	-4.6048103437	 0.8561706701	 1.2278959146	-0.188546
+C	-3.0771901384	 0.7428224985	 1.3009809001	 0.145621
+O	-2.6398013765	 0.1610397223	 2.5185689278	-0.418967
+C	-2.5147848235	-0.022896846	 0.0799374806	-0.400129
+C	-1.0644695527	-0.1195044583	 0.0668167566	 0.092829
+C	 0.1407700247	-0.1961958405	 0.0434285755	 0.058584
+C	 1.5779417195	-0.2634913661	 0.0567534551	 0.016969
+O	 2.2438039306	-0.925084468	-0.7073006606	-0.231956
+H	-4.8987585799	 1.2468267505	 3.3435872165	 0.130632
+H	-4.8470245621	 2.706144875	 2.3505802095	 0.119461
+H	-6.2902474143	 1.683193852	 2.3323488142	 0.114649
+H	-5.03088802	-0.1584153112	 1.2248279471	 0.089046
+H	-4.8825665036	 1.3052739437	 0.2660900512	 0.101003
+H	-2.6394389398	 1.7481951127	 1.305598875	 0.102301
+H	-3.0214662866	-0.7222551506	 2.582920949	 0.280356
+H	-2.9467725866	-1.0341268544	 0.0576200672	 0.132279
+H	-2.8500339812	 0.4657994164	-0.8443467849	 0.144269
+H	 2.0512859922	 0.3559073631	 0.8459385486	 0.098729
+19
+0 4779	3.8733424	0.5889922	0.5600973	3.1392	85.04	-0.26006	-0.06014	0.19992000000000001	1983.1061	0.152867	-422.52155	-422.510501	-422.509557	-422.560089	36.542
+C	 1.4533848799	 0.2375530781	-0.157471256	-0.245419
+O	 0.1274323873	-0.1586873914	 0.1134891289	-0.23482
+C	-0.4862327287	 0.5075458499	 1.2020982312	 0.135145
+C	-1.9919065683	 0.4342153951	 0.9900423039	-0.396829
+C	-0.0527801399	-0.1572093211	 2.5377663849	-0.379444
+C	-0.5171309453	 0.5515308181	 3.7170288867	 0.105295
+C	-0.909037514	 1.1797839483	 4.6726318098	 0.017406
+C	-1.3665314343	 1.8854139086	 5.8403855668	 0.023227
+O	-1.7021494295	 3.0480812579	 5.853957554	-0.231526
+H	 2.1488676058	-0.0109289874	 0.6585087118	 0.105755
+H	 1.771310963	-0.3009356971	-1.0533593712	 0.13351
+H	 1.5211576314	 1.3191251615	-0.3488653903	 0.112665
+H	-0.1662029524	 1.5609682298	 1.2246183141	 0.083468
+H	-2.5227062702	 0.9142137972	 1.8163147767	 0.134709
+H	-2.2647815484	 0.9339784059	 0.0575717173	 0.127169
+H	-2.3126934577	-0.610497128	 0.9250432275	 0.125181
+H	-0.4149950949	-1.1928266916	 2.5483668512	 0.144834
+H	 1.0421929297	-0.2119213949	 2.5762455944	 0.141887
+H	-1.3912400438	 1.2677620311	 6.7615632383	 0.097786
+19
+0 4780	2.2278693	0.9929841	0.8523328	3.5428	78.82	-0.25603	-0.05275	0.20328	1441.5657	0.153049	-422.537547	-422.526756	-422.525811	-422.574651	37.434
+C	 0.8126999093	 0.5883284931	-2.8321745938	-0.406926
+C	 1.7415516647	 1.6012523486	-2.1529424036	 0.018313
+C	 3.1718666558	 1.0645001805	-2.0887600106	-0.08022
+O	 4.0107890239	 2.0796384821	-1.5584561053	-0.422258
+C	 1.2512485595	 1.9786884613	-0.737221261	-0.29927
+C	-0.0572552157	 2.7415100288	-0.7396350708	 0.247859
+O	-1.0800633267	 2.3188218699	-0.2436647246	-0.286969
+C	-0.0268740024	 4.0481325755	-1.3866832303	 0.289
+C	 0.0003595088	 5.1296307561	-1.915026306	-0.463353
+H	 0.7764815602	-0.3517792957	-2.2695174089	 0.120189
+H	-0.2108105596	 0.9680496641	-2.8988882845	 0.133574
+H	 1.1513055639	 0.3602631798	-3.8480188387	 0.115569
+H	 1.7742087993	 2.5184907925	-2.7542268665	 0.100638
+H	 3.1978503416	 0.1570481894	-1.4629297773	 0.087182
+H	 3.4930775031	 0.774824678	-3.1018043199	 0.088679
+H	 4.8900264578	 1.7127656523	-1.4308696734	 0.290178
+H	 1.1018733558	 1.080614693	-0.1289406538	 0.112155
+H	 2.0207973284	 2.6010907961	-0.2674494019	 0.140021
+H	 0.0121635521	 6.0863030147	-2.3783491492	 0.21564
+19
+0 4781	2.5020014	1.0035471	0.830675	1.9805	80.08	-0.27637	-0.03898	0.23739	1463.1856	0.153263	-422.556531	-422.546012	-422.545068	-422.592716	36.858
+C	 0.6361424988	-1.1004073623	-0.1130335896	-0.390408
+C	 0.644942809	 0.3300651092	-0.6570849042	-0.183209
+C	 1.6659869978	 1.2390391613	 0.0202374555	 0.143553
+C	 1.7228351937	 2.642251308	-0.5723165308	-0.411991
+O	 1.2680301148	 1.3232143009	 1.4213143967	-0.24759
+C	 2.2346910835	 1.5830426633	 2.3140682511	 0.303239
+O	 3.4004691126	 1.7612511764	 2.0566975147	-0.361296
+C	 1.6930069558	 1.6196437755	 3.6574127435	 0.221841
+C	 1.2981585811	 1.6627105116	 4.7912835671	-0.361101
+H	 0.4024854204	-1.1106879877	 0.9549043203	 0.132551
+H	-0.1113469649	-1.7098860601	-0.6290632272	 0.115517
+H	 1.6108630227	-1.5818838829	-0.2490141498	 0.116996
+H	 0.8728016305	 0.3228108157	-1.7296924763	 0.102564
+H	-0.3491347212	 0.7815328618	-0.5516499907	 0.10796
+H	 2.6616675414	 0.7854873683	-0.0064397726	 0.110491
+H	 2.4630887343	 3.2510803618	-0.0489182028	 0.143114
+H	 2.0083414894	 2.5892547597	-1.6273854734	 0.121536
+H	 0.7460782086	 3.1310269662	-0.5030164081	 0.12467
+H	 0.9495159318	 1.7011764832	 5.7945140867	 0.211563
+19
+0 4782	4.2962134	0.7465438	0.6637112	3.3729	80.29	-0.26011	-0.06936	0.19075	1686.2422	0.153345	-422.542939	-422.532523	-422.531578	-422.579019	36.926
+C	 3.9518933925	 4.8463467189	-1.1932274656	-0.38619
+C	 3.5281858152	 3.7903421521	-0.1698791833	-0.173662
+C	 2.9716247184	 2.5250285519	-0.8216900933	 0.133218
+O	 4.0013807685	 1.9571923466	-1.6123431324	-0.443191
+C	 2.4714973485	 1.5198940544	 0.2283503785	-0.324617
+C	 1.8942726675	 0.2552550333	-0.379851176	 0.225487
+O	 2.0275515305	-0.0448271652	-1.5521690372	-0.311215
+C	 1.1610494525	-0.6044378043	 0.5311974039	 0.250192
+C	 0.5579908944	-1.2991540135	 1.3074995948	-0.373587
+H	 4.3765068002	 5.7250238632	-0.6986066719	 0.107615
+H	 4.7002049523	 4.4373154003	-1.8758405322	 0.140633
+H	 3.0971116208	 5.1802464042	-1.7921803305	 0.109913
+H	 4.3877317772	 3.5052340794	 0.4500363381	 0.101565
+H	 2.7690377633	 4.2011714174	 0.5072257343	 0.089008
+H	 2.1141002477	 2.804272922	-1.4580098746	 0.069716
+H	 3.6017604778	 1.2014081782	-2.0624864426	 0.295307
+H	 3.3033094114	 1.2171226965	 0.8806185155	 0.144559
+H	 1.7152773528	 1.966293574	 0.8859018149	 0.126324
+H	 0.0216725086	-1.9253630595	 1.9789483497	 0.218924
+19
+0 4783	2.1144525	1.0786742	1.0146603	3.0571	79.08	-0.25466	-0.06056	0.1941	1336.4419	0.152441	-422.522379	-422.511602	-422.510658	-422.559275	37.173
+C	 1.1570846095	-0.2685899448	-0.5285262689	-0.252501
+O	-0.1689079068	 0.1344266914	-0.2588820394	-0.243281
+C	-0.397866413	 0.6841541791	 1.0253213537	 0.112694
+C	-1.8993384805	 0.5724079202	 1.2772586787	-0.391778
+C	 0.0657616506	 2.1594368983	 1.1241940362	-0.298457
+C	 1.5590519865	 2.3914396578	 1.2582487588	 0.242744
+O	 2.1974656154	 3.0941426008	 0.5041789746	-0.286368
+C	 2.1995178528	 1.7415094828	 2.3964712009	 0.285865
+C	 2.7248326614	 1.2143449373	 3.3430372802	-0.460517
+H	 1.5482007109	-0.9297697768	 0.2596061858	 0.106658
+H	 1.134685251	-0.8208605142	-1.4714784425	 0.12876
+H	 1.8421196906	 0.5817516275	-0.6434174626	 0.132579
+H	 0.1426618044	 0.0928426364	 1.7822614645	 0.079509
+H	-2.1542986872	 0.9180125878	 2.2831710052	 0.114049
+H	-2.4539304238	 1.1741893745	 0.5505032374	 0.128641
+H	-2.2166474505	-0.4676891387	 1.1710112368	 0.125613
+H	-0.2840407439	 2.7137304363	 0.2491639312	 0.131941
+H	-0.3969742634	 2.5936693338	 2.0203594681	 0.125326
+H	 3.2043164262	 0.7558802006	 4.1738750312	 0.218523
+19
+0 4784	2.0700566	1.2234136	0.8142299	2.5807	78.22	-0.25138	-0.02653	0.22485	1389.6866	0.152671	-422.533107	-422.522259	-422.521315	-422.569703	37.747
+C	-0.3778323447	 2.8251449351	-0.7416076953	-0.397006
+C	-0.9739451291	 2.1708913003	 0.5228257402	-0.185112
+C	-1.2942924171	 3.1907461088	 1.5206348158	 0.321107
+C	-1.5365198607	 4.0520145883	 2.3239707334	-0.455207
+C	-0.0305826653	 1.0792226903	 1.1107477211	-0.100007
+C	-0.5928113052	 0.4567708288	 2.4004852789	-0.090622
+O	 0.1772553053	-0.6497903672	 2.8390023216	-0.413322
+C	 0.1671423967	-0.0317061921	 0.0933111318	 0.167914
+O	 1.2046057636	-0.2933515093	-0.4549565633	-0.251578
+H	-0.1769020685	 2.075520962	-1.5116756118	 0.133747
+H	-1.0700095397	 3.5663448715	-1.1479939884	 0.130363
+H	 0.5625587428	 3.3303267655	-0.504114062	 0.135348
+H	-1.9129456699	 1.6722217967	 0.239377685	 0.112356
+H	-1.7643116309	 4.8089540531	 3.0332972481	 0.200123
+H	 0.9510779662	 1.5264194249	 1.3080398254	 0.094061
+H	-0.6868168041	 1.2306878322	 3.1722433727	 0.117735
+H	-1.5975762856	 0.0593982706	 2.2132409848	 0.116072
+H	 1.0626629693	-0.3364148577	 3.0513880995	 0.289253
+H	-0.762704323	-0.6103831215	-0.1234228775	 0.074775
+19
+0 4785	2.1414971	1.2119742	0.8268137	1.5297	78.39	-0.24924	-0.02819	0.22105	1392.5714	0.152385	-422.531811	-422.520926	-422.519982	-422.568491	37.821
+C	-0.3165295362	 2.8104763701	-0.714910653	-0.39738
+C	-1.0212399107	 2.0302479238	 0.3977634018	-0.201417
+C	-0.0982260537	 1.023201295	 1.1205160406	-0.073433
+C	 0.1993502686	-0.1344838322	 0.1872669009	 0.164707
+O	 1.2226833567	-0.2821872447	-0.4284613245	-0.251805
+C	-0.7607249033	 0.5096256178	 2.4277385111	-0.068199
+O	-1.1001522296	 1.5759239884	 3.3058962267	-0.414428
+C	 0.0836566057	-0.4884776965	 3.0888195543	 0.277065
+C	 0.8170506256	-1.2754028375	 3.6256190749	-0.420665
+H	 0.1094521931	 2.1447200257	-1.471524989	 0.13497
+H	-1.0162820354	 3.4870000399	-1.2144287078	 0.117357
+H	 0.5030310509	 3.4147006254	-0.3117220555	 0.120324
+H	-1.4161189706	 2.7142018673	 1.1546716764	 0.126598
+H	-1.8866312577	 1.4900756932	-0.0114008788	 0.099037
+H	 0.8557168954	 1.5019790209	 1.3698557348	 0.09324
+H	-0.6500371487	-0.8491237829	 0.0647881355	 0.074782
+H	-1.7222989953	 0.0483433187	 2.1668293027	 0.122988
+H	-0.2864225072	 1.8752480942	 3.7272142887	 0.288947
+H	 1.4520302222	-1.9833077364	 4.09944005	 0.207312
+19
+0 4786	2.12467	1.2922751	0.8560714	1.8544	78.77	-0.2427	-0.03198	0.21072	1356.7842	0.151985	-422.51886	-422.507879	-422.506935	-422.55578	37.558
+C	 1.3544777277	-0.117018954	-0.3846354033	-0.248666
+O	-0.0374030245	 0.1199615243	-0.2450057375	-0.252389
+C	-0.4008746978	 0.7453173453	 0.9767840843	 0.057456
+C	-0.0859849054	 2.2347552752	 0.8278905829	 0.154862
+O	 0.8595197064	 2.7803335011	 1.3333863115	-0.248501
+C	-1.9058036248	 0.4917470134	 1.1881558171	-0.183905
+C	-2.2098806043	-1.0094738295	 1.3452203841	-0.400527
+C	-2.3834588744	 1.2720332716	 2.3278954025	 0.308157
+C	-2.7526657816	 1.9103640028	 3.2772670467	-0.455302
+H	 1.7214477549	-0.7949418204	 0.3990870201	 0.116373
+H	 1.4954493331	-0.586113436	-1.36066736	 0.133242
+H	 1.9390255736	 0.8108838172	-0.3426469085	 0.1319
+H	 0.1819761087	 0.3464180296	 1.8191958058	 0.091468
+H	-0.767115541	 2.770150824	 0.1279086188	 0.084861
+H	-2.4098930897	 0.8529313943	 0.2805372612	 0.118605
+H	-1.746553727	-1.4028207519	 2.2549090892	 0.126104
+H	-3.2876351922	-1.1752794465	 1.4145902258	 0.12767
+H	-1.8193871654	-1.5555227575	 0.4844280821	 0.136081
+H	-3.0839062563	 2.4798145667	 4.1103387471	 0.20251
+19
+0 4787	2.4422819	1.1042493	0.8458902	2.6027	77.89	-0.25341	-0.02563	0.22778000000000004	1379.0782	0.153266	-422.54456	-422.533977	-422.533033	-422.581246	37.249
+C	-0.923373813	-0.232598959	-2.1586315344	-0.484351
+C	-1.0791896251	 0.4859106635	-0.8383249319	 0.393198
+O	-0.6635024683	 0.007005195	 0.1985650075	-0.325426
+C	-1.8050564899	 1.8367666369	-0.8333077755	-0.118479
+C	-2.2527733792	 2.2018527314	 0.5937789198	-0.067873
+O	-3.0226532118	 1.1929141616	 1.2061662296	-0.431267
+C	-0.8907488257	 2.973339468	-1.3820977924	-0.384187
+C	-0.7336417595	 3.0147032601	-2.8295308265	 0.301943
+C	-0.6167102245	 3.0635518408	-4.0252526843	-0.430024
+H	-1.9153949612	-0.5095330241	-2.5356033918	 0.146527
+H	-0.4769260315	 0.4223146743	-2.9125526736	 0.16059
+H	-0.3220141553	-1.1320853402	-2.0215764185	 0.139395
+H	-2.6850470547	 1.7578711411	-1.4819269319	 0.105112
+H	-1.3656043214	 2.4536097793	 1.1945488414	 0.097682
+H	-2.8835999361	 3.0964335147	 0.5467464617	 0.108399
+H	-2.4087087185	 0.4684357004	 1.378618253	 0.295812
+H	-1.3219436314	 3.9279819471	-1.0528205984	 0.144393
+H	 0.0933826654	 2.9088974394	-0.9005334988	 0.146026
+H	-0.5096997084	 3.1146087999	-5.080651415	 0.202529
+19
+0 4788	2.2230534	1.1850091	0.9584207	1.7409	77.53	-0.23577	-0.02061	0.21516000000000002	1318.568	0.152105	-422.528384	-422.517406	-422.516462	-422.565603	37.571
+C	 1.5728581927	 0.2589315485	-0.2927546998	-0.246674
+O	 0.2257957803	-0.0542341035	 0.0161803216	-0.246566
+C	-0.2583416491	 0.5750883479	 1.1908115383	 0.036237
+C	-1.7927474332	 0.482384554	 1.1171951967	-0.385995
+C	-2.452889329	 1.007103081	 2.3045052851	 0.289618
+C	-2.9740190927	 1.4358943505	 3.298699331	-0.440566
+C	 0.3409821609	-0.1105859766	 2.4386909256	 0.383354
+C	-0.0080860426	-1.570425487	 2.6478889899	-0.489496
+O	 1.0846703607	 0.4973614822	 3.1715310399	-0.302098
+H	 2.2674946399	-0.0651090824	 0.4939035614	 0.124931
+H	 1.8137375474	-0.2664605292	-1.2193977072	 0.13205
+H	 1.7055384266	 1.3395815052	-0.4456890857	 0.11759
+H	 0.0545801164	 1.6275135948	 1.2320508287	 0.094942
+H	-2.11661712	 1.0255286235	 0.2223469262	 0.145147
+H	-2.0705395294	-0.5661116592	 0.9578334911	 0.143052
+H	-3.4380651363	 1.8195327972	 4.1734162758	 0.202219
+H	 0.6841267652	-2.0150703092	 3.3637290222	 0.141009
+H	-1.0253298152	-1.6426337553	 3.05081344	 0.154938
+H	 0.0126694573	-2.1145921821	 1.699710399	 0.146306
+19
+0 4789	2.3782618	1.0994397	0.8154354	2.1707	77.65	-0.25528	0.05466	0.30994	1416.8096	0.153234	-422.483393	-422.473136	-422.472192	-422.519561	35.712
+C	 1.3630741987	-0.3549632665	-0.1507614733	-0.238734
+O	 0.0110385837	 0.0479068519	-0.0960603349	-0.237084
+C	-0.3499971253	 0.7535090796	 1.0738127855	 0.088456
+C	-1.8839712267	 0.7038448792	 1.1806884935	-0.374263
+C	-2.3964659872	-0.6398621436	 1.4117277931	 0.305553
+C	-2.8115580692	-1.7478889414	 1.6205605204	-0.44303
+C	 0.1263644552	 2.194978714	 1.009654527	 0.065755
+C	 1.299196327	 2.6724946513	 1.7535977478	-0.182514
+O	-0.0240036674	 2.9495898497	 2.2132774625	-0.235275
+H	 1.6353791619	-0.9692543642	 0.7206963532	 0.110384
+H	 1.4784533394	-0.9565668296	-1.0552983112	 0.132787
+H	 2.0545803613	 0.497687101	-0.2052640535	 0.10875
+H	 0.0838713638	 0.276039324	 1.966649454	 0.081207
+H	-2.1884592942	 1.3699784163	 1.9959548525	 0.150202
+H	-2.3054245228	 1.1127207944	 0.2537482505	 0.135536
+H	-3.1847038762	-2.7259815045	 1.7966644565	 0.192762
+H	-0.1629057537	 2.7241832329	 0.0996672125	 0.101497
+H	 1.8674077816	 1.9733866521	 2.3660412965	 0.117497
+H	 1.85759785	 3.5334662434	 1.3892808375	 0.120514
+19
+0 4790	2.6335114	1.0132044	0.791736	3.1331	77.41	-0.25595	0.04659	0.30254000000000003	1435.7732	0.154659	-422.498178	-422.488357	-422.487413	-422.533386	35.453
+O	-1.467099859	 2.8290940663	-1.8897298321	-0.432103
+C	-1.4604488214	 2.7180929137	-0.482995068	-0.048991
+C	-1.8455544294	 1.3066698923	-0.0034527252	-0.055519
+C	-1.5282363685	 1.0919414385	 1.4964114122	-0.382123
+C	-0.1037133856	 1.1333905197	 1.8006772228	 0.296471
+C	 1.0747705827	 1.1622045933	 2.0346153235	-0.427701
+C	-3.3219629587	 1.0479134514	-0.2386516897	 0.082907
+C	-3.8209162589	-0.1157052176	-0.9824448243	-0.187054
+O	-3.7947977185	 1.1811485655	-1.589927733	-0.25424
+H	-2.2959161162	 2.445594345	-2.202772224	 0.296368
+H	-0.4429415947	 2.9477389335	-0.1521797918	 0.120037
+H	-2.1331638572	 3.4565685098	-0.0099174985	 0.07787
+H	-1.2587243508	 0.5955566423	-0.5955107676	 0.097929
+H	-2.051812836	 1.8543893982	 2.0898312794	 0.133669
+H	-1.9392576438	 0.1260421905	 1.8174247794	 0.13427
+H	 2.1145518902	 1.1894884923	 2.2484397342	 0.198743
+H	-3.9924906995	 1.5069149807	 0.4914945062	 0.099044
+H	-3.1095444714	-0.8333838256	-1.3875331709	 0.126214
+H	-4.8170855532	-0.5059633799	-0.7830129826	 0.124209
+19
+0 4791	3.5320893	0.6984082	0.6199017	3.3955	81.24	-0.25014	-0.03594	0.21419999999999997	1811.0011	0.153681	-422.540735	-422.529872	-422.528928	-422.578639	36.507
+C	 1.6038026227	 0.2704500206	-0.1183617929	-0.498299
+C	 0.1568579536	 0.1064239721	-0.1204953527	 0.11168
+C	-1.0410299197	-0.0183957729	-0.1318556246	 0.022655
+C	-2.4908762194	-0.1785289823	-0.1191299944	-0.380307
+C	-3.001555542	-1.2005520223	 0.9315916215	-0.105371
+C	-4.536005918	-1.2123428516	 1.0251323654	-0.071701
+O	-5.0109731452	-2.0389214594	 2.0622564168	-0.429374
+C	-2.4484723413	-2.583980302	 0.6510491365	 0.162916
+O	-3.0930140727	-3.6058517934	 0.7277909253	-0.267838
+H	 2.0538806081	-0.1802101896	 0.7729391999	 0.150599
+H	 2.0598677956	-0.2021056395	-0.995121963	 0.150862
+H	 1.882483458	 1.3298351162	-0.1297477091	 0.15171
+H	-2.9659998039	 0.787917875	 0.0912054108	 0.139587
+H	-2.8448025779	-0.4757207275	-1.1156512344	 0.136008
+H	-2.5934155995	-0.907443795	 1.9103920286	 0.124542
+H	-4.8924530732	-0.1985653093	 1.2384524726	 0.107397
+H	-4.951233625	-1.5044513928	 0.0461293008	 0.091742
+H	-4.7246333536	-2.9326614042	 1.8313950917	 0.294889
+H	-1.3778621465	-2.6143017822	 0.3608038414	 0.108301
+19
+0 4792	3.1272782	0.7823007	0.6628961	1.3437	81.48	-0.24123	-0.03042	0.21081	1726.3945	0.152167	-422.523874	-422.512402	-422.511458	-422.56415	37.025
+C	-5.2633515542	-0.266860684	-2.5601662956	-0.245942
+O	-4.5723472082	-0.1731688094	-1.3266469131	-0.24381
+C	-3.1691920004	-0.3273707233	-1.4391398347	 0.049761
+C	-2.5681413975	 0.1846291745	-0.119042493	-0.382573
+C	-1.1145271816	 0.0902798203	-0.0858179036	 0.030479
+C	 0.0853818259	-0.0056582736	-0.0873978872	 0.093773
+C	 1.5364762064	-0.1203490604	-0.0843578439	-0.498148
+C	-2.8534247708	-1.8097110193	-1.6433836961	 0.154259
+O	-2.2648826997	-2.2681762971	-2.5856152822	-0.237858
+H	-5.1303745001	-1.2460858589	-3.0403706665	 0.123898
+H	-6.3229795833	-0.1211576908	-2.3398564958	 0.134151
+H	-4.9313163633	 0.5104250634	-3.2635384778	 0.116556
+H	-2.7661067328	 0.2353120749	-2.2925767299	 0.093419
+H	-2.902636644	 1.21978585	 0.0150049091	 0.141071
+H	-3.0140864179	-0.3906064053	 0.7030813177	 0.137614
+H	 1.895828614	-0.60353766	 0.8308013497	 0.149048
+H	 1.8859791789	-0.7170800532	-0.933862212	 0.15481
+H	 2.0141265395	 0.8633371152	-0.1504195443	 0.148548
+H	-3.269876511	-2.4557638832	-0.8351719508	 0.080945
+19
+0 4793	2.6427213	0.9261362	0.8186121	1.4401	77.56	-0.24445	-0.01477	0.22968	1465.3949	0.152878	-422.543813	-422.533061	-422.532117	-422.580568	37.554
+C	 3.8074186224	 0.8739603537	 0.3506186035	-0.484535
+C	 2.3864669685	 0.3984559661	 0.1046412187	 0.391382
+O	 1.8511740479	-0.4103493686	 0.824758861	-0.292762
+C	 1.6566000586	 0.9589189841	-1.1167258065	-0.303809
+C	 1.7666546998	 2.4864486304	-1.3205078873	-0.188536
+C	 0.9930361819	 2.9286302028	-2.5866502291	-0.05884
+O	 1.1098111403	 4.3095312781	-2.8363391342	-0.420263
+C	 1.2766366283	 3.2330139932	-0.162342488	 0.32308
+C	 0.8409825296	 3.866867375	 0.7629096543	-0.476726
+H	 4.2717104245	 0.2499086033	 1.1148453647	 0.143822
+H	 4.402630501	 0.8489924711	-0.5686577217	 0.131569
+H	 3.7923913374	 1.9128461361	 0.6993140286	 0.155585
+H	 2.0787321716	 0.4671889142	-2.0046655313	 0.122258
+H	 0.6100407976	 0.6544146154	-1.0355303506	 0.130769
+H	 2.8174559274	 2.7570328107	-1.4839821052	 0.118786
+H	 1.417142705	 2.4186088216	-3.4576518423	 0.112405
+H	-0.0578354492	 2.6142319682	-2.4898055488	 0.099299
+H	 0.7652024204	 4.7703167978	-2.0617885984	 0.287846
+H	 0.4698675172	 4.4102729068	 1.5970168326	 0.208671
+19
+0 4794	1.830692	1.2889876	0.8858577	1.906	78.66	-0.26926	0.01285	0.28210999999999997	1395.9222	0.152703	-422.561933	-422.551097	-422.550153	-422.599437	37.182
+C	 2.1685521185	-1.404249343	-1.9672606328	-0.395147
+C	 1.0932548187	-2.4073042367	-1.5462057545	-0.184176
+C	 0.4192501763	-2.0387233983	-0.2188449815	-0.063378
+O	-0.2545136678	-0.7686181513	-0.4144217043	-0.24957
+C	-0.3044251509	 0.0674860174	 0.6526762743	 0.439287
+C	-1.0795536677	 1.3138901337	 0.3012643573	-0.482137
+O	 0.2003603507	-0.1675183577	 1.7193222678	-0.346048
+C	-0.5453365545	-3.0469329181	 0.2131977119	 0.33943
+C	-1.3268718846	-3.8956689819	 0.5476051568	-0.451602
+H	 2.9624317356	-1.333756799	-1.2156708508	 0.120926
+H	 2.6288374216	-1.7065889207	-2.9121714784	 0.11791
+H	 1.7424758835	-0.4067237515	-2.1025983079	 0.128364
+H	 0.3182080596	-2.4896887427	-2.3156223624	 0.117965
+H	 1.5260508594	-3.4060008757	-1.4251204956	 0.116086
+H	 1.1684426179	-1.8973066456	 0.5668346633	 0.137672
+H	-1.0158853399	 2.0241838989	 1.1246101476	 0.14919
+H	-0.6905650361	 1.7601617879	-0.6174823133	 0.148099
+H	-2.1266626148	 1.0537588217	 0.1191092335	 0.155295
+H	-2.0170285856	-4.6406151072	 0.858788219	 0.201835
+19
+0 4795	2.208976	1.1251924	0.8303976	2.4329	78.85	-0.24928	-0.02481	0.22447	1412.8685	0.151899	-422.519763	-422.508804	-422.50786	-422.557552	37.513
+C	 1.0641324364	-0.3832251206	-0.6438829166	-0.250868
+O	-0.2260975088	 0.044770321	-0.2406452728	-0.239059
+C	-0.2858544385	 0.6586622197	 1.0308530199	-0.084885
+C	 0.2518285839	 2.1291349733	 1.0249798369	-0.300465
+C	 1.7500379189	 2.2494529325	 1.292525719	 0.368679
+C	 2.1716316803	 2.2172263059	 2.751154682	-0.474379
+O	 2.5571444526	 2.379854234	 0.4006764767	-0.2953
+C	-1.6846208801	 0.635238211	 1.4623818366	 0.314736
+C	-2.82382033	 0.6405726419	 1.8422846258	-0.409934
+H	 1.5380093552	-1.0086252004	 0.1289230503	 0.101804
+H	 0.9204895276	-0.9871242111	-1.5426706815	 0.129602
+H	 1.726643988	 0.4579414952	-0.8733718456	 0.148647
+H	 0.3035454362	 0.0645865749	 1.7521358447	 0.095157
+H	 0.0207914032	 2.5585664766	 0.0476268874	 0.140921
+H	-0.2879554539	 2.6885976914	 1.7946976502	 0.123715
+H	 3.2566094643	 2.1386297723	 2.8258618069	 0.145288
+H	 1.8410129466	 3.1401109235	 3.2430081438	 0.147747
+H	 1.6946768657	 1.3898436274	 3.287614572	 0.138891
+H	-3.8338986776	 0.6314415214	 2.1705194644	 0.199705
+19
+0 4796	1.8478423	1.4400299	1.1165443	2.432	78.2	-0.2565	-0.04274	0.21376	1210.4941	0.153352	-422.537468	-422.52698	-422.526036	-422.573015	37.428
+C	 2.4087947836	-2.5205544769	-0.6894518024	-0.403182
+C	 3.0406254697	-1.5088760647	 0.2691571439	-0.201106
+C	 2.6331021152	-0.0256456549	 0.0022806419	-0.061637
+C	 3.2232999879	 0.5109247887	-1.3338248045	-0.091667
+O	 4.6196634931	 0.3476429173	-1.4086792893	-0.425515
+C	 3.1951016652	 0.7866888349	 1.1781795876	 0.150869
+O	 4.1357616713	 1.5375098177	 1.1020433015	-0.267895
+C	 1.1834182913	 0.1493838223	 0.0201687409	 0.310095
+C	-0.0043680188	 0.3371398056	 0.0467203211	-0.460059
+H	 2.7124453183	-3.5346405359	-0.4134796844	 0.12045
+H	 1.3168367584	-2.4711683363	-0.6564087066	 0.131627
+H	 2.7284908326	-2.3509484308	-1.721450187	 0.13139
+H	 2.7675143873	-1.7632954439	 1.3003202861	 0.102838
+H	 4.1310344644	-1.5522037626	 0.1951744095	 0.1289
+H	 2.7856237149	-0.0441488407	-2.1672965284	 0.121075
+H	 2.925005842	 1.5627066879	-1.4436956082	 0.10659
+H	 4.9874823577	 0.9287435234	-0.7299277871	 0.297205
+H	 2.6718511058	 0.6170547788	 2.1427375753	 0.105707
+H	-1.0553063798	 0.4919861201	 0.0600164701	 0.204316
+19
+0 4797	1.7347946	1.4502907	1.2413275	3.4308	78.44	-0.25052	-0.02986	0.22066000000000002	1194.8719	0.151659	-422.514602	-422.503723	-422.502778	-422.550541	37.928
+C	-0.507298148	-1.6026069175	 2.4416665551	-0.401801
+C	-0.1241332382	-0.1222353269	 2.5054425094	-0.224128
+C	-0.4279271877	 0.6440922201	 1.1849464292	 0.08852
+O	 0.0880982009	 0.0035990432	 0.0408918736	-0.250937
+C	 1.4987451113	-0.0182136115	-0.0835293744	-0.251048
+C	-1.9643954194	 0.6888487639	 1.0126397483	 0.148304
+O	-2.5666386268	 0.197119891	 0.1041421045	-0.238754
+C	 0.0091092462	 2.0438389414	 1.3057549878	 0.302858
+C	 0.3322208309	 3.1969242723	 1.4159655425	-0.456965
+H	-0.2540214461	-2.0997971597	 3.3822269781	 0.116094
+H	-1.5797498509	-1.7362149536	 2.269008872	 0.132866
+H	 0.0181783771	-2.1110925079	 1.6300104444	 0.138895
+H	-0.6578966059	 0.3846535228	 3.3175486123	 0.114767
+H	 0.9407486149	-0.0059076055	 2.7300808417	 0.116843
+H	 1.9785621756	-0.6219189538	 0.6990601437	 0.108895
+H	 1.7089106362	-0.4736497032	-1.0534338296	 0.136371
+H	 1.9241121619	 0.9929562188	-0.0605876833	 0.123131
+H	-2.4662461067	 1.2290977149	 1.8457327316	 0.090582
+H	 0.6239958947	 4.2147939213	 1.505170813	 0.205509
+19
+0 4798	1.8388832	0.9179962	0.6362368	4.1736	83.86	-0.26236	-0.05807	0.20428999999999997	1731.4399	0.153595	-422.532241	-422.521141	-422.520197	-422.571248	36.837
+C	 2.0274461915	-0.6293954724	 1.464347279	-0.390603
+C	 1.7795158679	 0.8663905312	 1.2633905423	-0.178994
+C	 2.0796068654	 1.3623800347	-0.1720760971	-0.203752
+C	 1.6450640436	 2.8365425869	-0.3540415809	-0.063252
+O	 1.8718745108	 3.3391757195	-1.6520890347	-0.408263
+C	 3.4807774251	 1.1780540497	-0.5296307417	 0.184703
+C	 4.6496144994	 1.016552368	-0.791191257	-0.029941
+C	 6.0379406928	 0.8627462063	-1.1380304605	 0.01947
+O	 6.7522741334	-0.028727714	-0.7378863122	-0.232587
+H	 1.8046693776	-0.923372935	 2.4940846422	 0.119431
+H	 1.3931725172	-1.2285504717	 0.8016985037	 0.11512
+H	 3.0692583669	-0.8882992218	 1.2557350506	 0.144198
+H	 0.7322842866	 1.1039208	 1.4864902582	 0.101655
+H	 2.3893995979	 1.4450229646	 1.9669368377	 0.114357
+H	 1.4807348146	 0.7548604479	-0.8698498146	 0.105431
+H	 0.5874163104	 2.9208963198	-0.0603165977	 0.093974
+H	 2.2276809091	 3.4711489544	 0.3211426102	 0.124064
+H	 1.3121290699	 2.8547768776	-2.2675225094	 0.285038
+H	 6.4222552298	 1.6463052343	-1.822550548	 0.099951
+19
+0 4799	2.6787475	0.7374161	0.5969772	3.0362	85.11	-0.26801	-0.06332	0.20469000000000004	1841.8318	0.153126	-422.517775	-422.506783	-422.505839	-422.555414	36.466
+C	-4.7154702874	 0.6060876793	-2.117493534	-0.391492
+C	-3.2275350117	 0.4289063049	-1.8105056474	-0.183172
+C	-2.9735238577	 0.0512262309	-0.340711805	-0.082376
+O	-3.6055133399	-1.1924595877	-0.1001992697	-0.225428
+C	-3.6694742345	-1.5553856739	 1.2641749512	-0.240002
+C	-1.5356269712	 0.0106513242	-0.0463029469	 0.128847
+C	-0.3479543661	-0.0090927075	 0.1783242548	 0.033351
+C	 1.0641789833	-0.0674369788	 0.4532766633	 0.016995
+O	 1.8270882504	 0.8621523866	 0.3217315118	-0.228604
+H	-5.1486408923	 1.41792264	-1.5225375163	 0.114375
+H	-4.8629106737	 0.8514836259	-3.1730645487	 0.117215
+H	-5.2685277228	-0.3091779194	-1.8955479756	 0.138607
+H	-2.7963752001	-0.3587310906	-2.4373546567	 0.121415
+H	-2.6742144093	 1.349013271	-2.0240285329	 0.117372
+H	-3.4236224344	 0.8261330882	 0.3063823467	 0.100641
+H	-4.2000496416	-2.5084818873	 1.3143137798	 0.134038
+H	-2.6691166719	-1.6783950079	 1.701486785	 0.118304
+H	-4.2200471249	-0.8071794853	 1.854761503	 0.108883
+H	 1.4145896357	-1.0588712126	 0.8059252374	 0.101029
+19
+0 4800	1.8926068	1.3422273	0.9340668	3.8172	78.82	-0.26149	-0.07384	0.18764999999999998	1318.3077	0.153729	-422.534767	-422.524347	-422.523403	-422.570631	36.957
+C	 3.317337031	 2.8059009981	 0.593019232	-0.391425
+C	 2.2047166452	 1.7524105435	 0.5441698306	-0.209822
+C	 2.721231886	 0.3150602855	 0.4033274545	-0.108761
+C	 1.6169130938	-0.7445829039	 0.6886564619	-0.057221
+O	 2.1317298808	-2.0376546069	 0.8790445543	-0.426892
+C	 3.3178923572	-0.0504703783	-0.9498173956	 0.23273
+O	 3.939871041	-1.0891233853	-1.1019085801	-0.315013
+C	 3.0553334629	 0.805345754	-2.0927921002	 0.29854
+C	 2.8472513249	 1.4923168655	-3.0597657828	-0.436624
+H	 2.898615483	 3.8091133565	 0.7167605154	 0.118226
+H	 3.9955771955	 2.6212618559	 1.4330879196	 0.120195
+H	 3.9131476565	 2.8073590668	-0.3245608843	 0.125095
+H	 1.6173480646	 1.8093244906	 1.468207179	 0.102084
+H	 1.5113029448	 1.9793534363	-0.2737306703	 0.111091
+H	 3.5115164059	 0.1263495514	 1.1407083859	 0.115663
+H	 1.1055124633	-0.462505181	 1.6153586665	 0.11085
+H	 0.8657233717	-0.7135463265	-0.1198806697	 0.090795
+H	 2.8015992216	-2.1871943803	 0.1966869061	 0.29773
+H	 2.6681154503	 2.0918618382	-3.9195529327	 0.22276
+19
+0 4801	1.9384468	1.2903021	0.8809853	2.9714	79.85	-0.24982	-0.06118	0.18863999999999997	1372.6037	0.152642	-422.521036	-422.510262	-422.509318	-422.557444	37.151
+C	 1.4838020781	 2.8953144001	 1.5351366748	-0.385987
+C	 0.0560553167	 2.4084322361	 1.2786340212	-0.194674
+C	-0.0076231305	 0.8972879383	 1.0019190839	 0.014352
+O	 0.7181522679	 0.6410078914	-0.1667397938	-0.226421
+C	 1.0145760209	-0.7233503347	-0.4005965117	-0.246988
+C	-1.4728088355	 0.4412913307	 0.8835723593	 0.211144
+O	-1.9681294135	 0.0665844596	-0.1545405101	-0.284327
+C	-2.2340414234	 0.4861267076	 2.1243316307	 0.278501
+C	-2.8487771328	 0.5154477586	 3.1592844857	-0.424331
+H	 1.9066746288	 2.4250144203	 2.4299565475	 0.11219
+H	 2.1294980557	 2.6534864095	 0.6879836308	 0.138789
+H	 1.5026889199	 3.9786835003	 1.6859612218	 0.114848
+H	-0.5860178932	 2.6354820037	 2.1357420714	 0.112923
+H	-0.3695862397	 2.9226932599	 0.4092040949	 0.120238
+H	 0.4277619114	 0.3569994389	 1.8637826528	 0.078256
+H	 1.5612509643	-1.1631008353	 0.4479351532	 0.101936
+H	 0.1098191055	-1.3116103952	-0.589702726	 0.132363
+H	 1.6530352487	-0.7585816635	-1.286068943	 0.130223
+H	-3.4051543591	 0.5374964236	 4.0650545067	 0.216964
+19
+0 4802	2.7136526	1.0441207	0.7990148	2.2326	78.85	-0.24942	0.03892	0.28834	1428.7099	0.153309	-422.47591	-422.465677	-422.464733	-422.512231	35.619
+C	 1.2688242819	-0.547975956	-0.1461824192	-0.247314
+O	 0.0581376852	 0.1848842155	-0.128308524	-0.238736
+C	-0.2639169133	 0.7979900184	 1.1109070715	-0.091314
+C	 0.0840533252	 2.305550033	 1.1102884861	-0.215473
+C	 1.5630626615	 2.5941738495	 1.1746587809	 0.07651
+C	 2.1586548266	 3.7785467768	 0.5434747916	-0.183601
+O	 2.3178437674	 2.48283655	-0.0352535359	-0.224084
+C	-1.6949627399	 0.6059416123	 1.3666813105	 0.324694
+C	-2.8689784113	 0.4770043098	 1.5862470478	-0.422181
+H	 1.2885831848	-1.3129258573	 0.6447900212	 0.102698
+H	 1.3108083506	-1.0505569515	-1.1155944627	 0.129786
+H	 2.1494570313	 0.0980603915	-0.0494438729	 0.135505
+H	 0.2968099083	 0.3082405632	 1.9243911534	 0.093157
+H	-0.3472606467	 2.7520538434	 0.2094462955	 0.125095
+H	-0.3987577811	 2.7693379681	 1.9789975749	 0.114277
+H	 2.0772149513	 2.1828076293	 2.0468357247	 0.090867
+H	 1.5223602097	 4.4626985642	-0.0164838057	 0.117701
+H	 3.0614205949	 4.2208673778	 0.9623337201	 0.116109
+H	-3.9057772564	 0.346509512	 1.7758835822	 0.196305
+19
+0 4803	2.8937208	0.8822207	0.7460636	2.6884	77.85	-0.26131	0.04058	0.30189	1536.4593	0.154481	-422.499081	-422.489108	-422.488164	-422.534789	35.526
+O	 2.8886931355	-1.1306855431	 2.2471884764	-0.420024
+C	 3.1608060963	-1.2427412922	 0.8697176562	-0.065169
+C	 2.571551337	-0.0742698663	 0.0444720068	-0.158448
+C	 2.9234322391	-0.2175554588	-1.4535986226	-0.242099
+C	 2.4946230165	 0.976107317	-2.2701318074	 0.095085
+C	 3.2992555654	 1.4880009077	-3.3850640524	-0.182762
+O	 3.2909913126	 2.1566819815	-2.1223379806	-0.236213
+C	 1.1282174419	-0.0031149776	 0.2670456127	 0.315228
+C	-0.056245362	 0.0009354747	 0.4808903893	-0.484997
+H	 1.9302940951	-1.0739611626	 2.3438566121	 0.286081
+H	 4.2506536872	-1.2348001168	 0.7672293708	 0.112644
+H	 2.78991405	-2.1939587304	 0.4544634698	 0.090643
+H	 3.0268326479	 0.8532951131	 0.4143073411	 0.132566
+H	 4.0083408201	-0.340207237	-1.5453154625	 0.107747
+H	 2.4508371907	-1.1224629477	-1.8550521103	 0.111168
+H	 1.4214351228	 1.169217314	-2.2840847708	 0.105666
+H	 4.2339897259	 0.9917976782	-3.6446114638	 0.112659
+H	 2.8174961719	 2.0228744617	-4.2023662248	 0.116832
+H	-1.1033315737	 0.0341496146	 0.65689686	 0.203393
+19
+0 4804	2.0794184	1.2508655	0.8238351	1.9082	77.95	-0.25834	0.02855	0.28689000000000003	1395.1152	0.154179	-422.48983	-422.479968	-422.479024	-422.525304	35.743
+O	 3.2851787339	 3.877136393	-1.4100719752	-0.418793
+C	 2.4025085748	 3.3745225541	-2.3844828516	-0.067609
+C	 1.9908483931	 1.9305203169	-2.0522020268	-0.10636
+O	 1.3999626392	 2.0038124534	-0.7530957321	-0.263311
+C	 1.328940777	 0.7854808802	-0.0677939186	 0.142278
+C	 0.3426130037	 0.7207510602	 1.052435236	-0.294422
+C	 0.1073589386	-0.0817631701	-0.2119263068	-0.279888
+C	 1.0908629632	 1.3814780653	-3.0675955045	 0.352128
+C	 0.3632197895	 0.978975259	-3.9356798514	-0.463997
+H	 2.8514589969	 3.7205957328	-0.5621052263	 0.290031
+H	 1.4891132929	 3.9817509735	-2.4734851945	 0.103953
+H	 2.921000546	 3.3929200678	-3.3467443694	 0.12025
+H	 2.903630315	 1.3175788755	-1.9974174268	 0.103544
+H	 2.2959697657	 0.2986888882	 0.059871395	 0.090046
+H	 0.6288198924	 0.2054544965	 1.9621153399	 0.116832
+H	-0.2755875803	 1.5987196022	 1.2011626959	 0.127031
+H	 0.2319303247	-1.15855914	-0.1831122653	 0.114567
+H	-0.6628803438	 0.2725680826	-0.8852602622	 0.131893
+H	-0.2775624825	 0.6070471788	-4.6968752253	 0.201825
+19
+0 4805	1.4635378	1.1341339	0.6657009	3.6903	81.43	-0.24349	-0.01475	0.22874	1674.6515	0.152745	-422.539829	-422.528489	-422.527545	-422.578659	37.29
+C	 1.5087640771	 0.122760183	 0.0845047452	-0.49858
+C	 0.0543796511	 0.0580603663	 0.0721236688	 0.076716
+C	-1.1485859042	 0.0056712008	 0.0511401076	 0.059696
+C	-2.6092666978	-0.0311304215	 0.0449704042	-0.179171
+C	-3.1385742766	-0.7853096737	 1.2757153102	-0.086784
+O	-4.5456627751	-0.8934834842	 1.1366732659	-0.41959
+C	-3.2185839979	 1.3872232758	-0.0428131735	-0.270118
+C	-2.9179036846	 2.0676599942	-1.3575565418	 0.165894
+O	-2.582375189	 3.2168023264	-1.4799246408	-0.243709
+H	 1.9132394939	-0.2136645292	 1.0454399317	 0.148429
+H	 1.942271059	-0.509756801	-0.6978252599	 0.149869
+H	 1.8598457675	 1.14671746	-0.0831247908	 0.155145
+H	-2.9505075804	-0.5975258847	-0.8339395942	 0.114323
+H	-2.6596908836	-1.7738507576	 1.3200963953	 0.102225
+H	-2.8595000612	-0.2349502695	 2.1866713543	 0.099988
+H	-4.9035774973	-1.2780643904	 1.9416359923	 0.293345
+H	-4.3084318011	 1.2822016569	 0.0389749461	 0.1426
+H	-2.8696102434	 2.0235368336	 0.7750729995	 0.120548
+H	-3.0529873365	 1.4128021947	-2.25156041	 0.069177
+19
+0 4806	1.9022372	1.046158	0.7289488	2.1944	81.99	-0.25549	0.01033	0.26582	1606.9882	0.153577	-422.558403	-422.547439	-422.546495	-422.59701	36.377
+C	-4.7274698795	 0.6611245751	 1.9329209762	-0.395932
+C	-3.2238455458	 0.6554041741	 1.6516034219	-0.179542
+C	-2.8756771576	 0.1624474438	 0.2423498394	-0.08302
+O	-3.4793163389	 1.107101114	-0.6959731708	-0.210164
+C	-3.905154159	 0.6074805768	-1.8654456132	 0.189301
+O	-3.8541455045	-0.5375934016	-2.2192551003	-0.301685
+C	-1.4387561319	 0.083465672	 0.0097631776	 0.092642
+C	-0.248114097	 0.0153291452	-0.1528415271	 0.088133
+C	 1.1889392285	-0.0730233485	-0.3635951528	-0.499779
+H	-4.9279084779	 1.0116764022	 2.9493451344	 0.117031
+H	-5.2546270032	 1.320039244	 1.2380345589	 0.130074
+H	-5.1539653466	-0.3432650915	 1.8356074885	 0.119809
+H	-2.8020473262	 1.6580634515	 1.7793006239	 0.117197
+H	-2.7035618082	 0.0015507019	 2.3595719519	 0.114485
+H	-3.3335225904	-0.8141651952	 0.0540718621	 0.133985
+H	-4.3262860513	 1.4334777744	-2.4603960668	 0.108339
+H	 1.733244699	-0.020794204	 0.5855678124	 0.150863
+H	 1.4621806507	-1.0125621876	-0.85576484	 0.154159
+H	 1.5437621098	 0.7490860832	-0.9946119463	 0.154104
+19
+0 4807	2.3445038	0.8165	0.6256059	3.8282	82.54	-0.24283	-0.02173	0.2211	1773.5099	0.152296	-422.523358	-422.512043	-422.511099	-422.562329	36.907
+C	-3.6235799264	-1.2030452504	-1.5994177501	-0.23905
+O	-3.5778726177	-1.2456053142	-0.187274104	-0.23134
+C	-2.9341152778	-0.1248819216	 0.4040889397	-0.106062
+C	-3.1980056705	-0.2275467697	 1.9166525235	-0.283403
+C	-4.6684395138	-0.104993626	 2.2628578691	 0.149426
+O	-5.0852475137	 0.4876338818	 3.2253388859	-0.244955
+C	-1.4975565634	-0.0752687652	 0.1117062151	 0.083019
+C	-0.3148617616	-0.0409733672	-0.1139015887	 0.088669
+C	 1.114596037	 0.0026445914	-0.3846559501	-0.500974
+H	-4.1671678742	-0.3155451534	-1.9583762946	 0.106719
+H	-2.6165293644	-1.1972794515	-2.0366730117	 0.120844
+H	-4.1532826541	-2.1003072674	-1.9265517094	 0.130956
+H	-3.3995103614	 0.8006021201	 0.0197728994	 0.096297
+H	-2.8524672643	-1.2178219078	 2.2410012606	 0.142935
+H	-2.6343967774	 0.5278602979	 2.4680185029	 0.131581
+H	-5.3538739808	-0.6202905848	 1.5570022282	 0.094701
+H	 1.6566480939	 0.474949775	 0.4418133205	 0.154661
+H	 1.5225407459	-1.0055382659	-0.5146311612	 0.154363
+H	 1.3327418548	 0.5717780287	-1.2947247753	 0.151614
+19
+0 4808	2.1845602	1.2214012	0.8695241	2.1783	77.68	-0.26605	0.01126	0.27731	1365.199	0.153587	-422.556184	-422.545723	-422.544778	-422.59288	36.258
+C	 0.4360383431	 0.1957068583	 3.0332018964	-0.396741
+C	-0.8123583342	 0.492047893	 2.1990441576	-0.17828
+C	-0.506282778	 0.9080830806	 0.7612688995	 0.109583
+C	-1.7824225831	 1.2217324216	-0.0386331402	-0.365746
+C	-1.5149145614	 1.6802910915	-1.3953588583	 0.29498
+C	-1.2742489851	 2.060279181	-2.5094299899	-0.429148
+O	 0.1562968557	-0.1923881224	 0.0894206813	-0.220553
+C	 1.4109919207	-0.0020720827	-0.3501660233	 0.195006
+O	 2.0879220777	 0.9771871309	-0.2048227631	-0.303419
+H	 0.1621504938	-0.060818965	 4.0605793232	 0.116747
+H	 0.9968228975	-0.6462508528	 2.6178020627	 0.127309
+H	 1.1064481839	 1.0603301777	 3.067190657	 0.129903
+H	-1.4704853714	-0.3857248308	 2.1803193231	 0.106965
+H	-1.3854807753	 1.3039866764	 2.6633343618	 0.104351
+H	 0.1691675797	 1.7663211308	 0.7418826822	 0.129456
+H	-2.4110933492	 0.322827078	-0.0636252602	 0.138424
+H	-2.3490325491	 1.9862872761	 0.5071005255	 0.134742
+H	-1.065026539	 2.3990472739	-3.4937546882	 0.198492
+H	 1.7321550538	-0.9172089663	-0.8714579973	 0.107929
+19
+0 4809	3.0333526	0.8302413	0.7064151	2.6648	79.08	-0.24243	-0.02291	0.21952	1585.5143	0.152091	-422.517931	-422.506994	-422.50605	-422.555839	36.959
+C	 1.37525889	 0.1569165641	-0.3628200309	-0.247059
+O	 0.0701271024	-0.2132880573	 0.0484166727	-0.252457
+C	-0.4514339286	 0.4784706437	 1.1678894017	 0.093422
+C	-1.978531972	 0.4806182353	 0.9944722292	-0.286917
+C	-2.4238774057	 1.2421008851	-0.2364639422	 0.149616
+O	-3.3304742798	 2.035589509	-0.2485012143	-0.242693
+C	-0.0675875408	-0.198991079	 2.5084858776	-0.351929
+C	 1.3185208956	-0.014201485	 2.9203721094	 0.282715
+C	 2.4506663131	 0.1567570685	 3.2875068442	-0.426785
+H	 2.1368744235	-0.1295544154	 0.3696564732	 0.134309
+H	 1.5644501174	-0.3658569411	-1.3036308557	 0.128063
+H	 1.4465513862	 1.2404315887	-0.5389197499	 0.109256
+H	-0.0781430452	 1.5143655686	 1.1775045396	 0.089199
+H	-2.3001785273	-0.5640053916	 0.8765159577	 0.132862
+H	-2.485787536	 0.9018482779	 1.8660695761	 0.120486
+H	-1.8445037976	 1.0093475457	-1.154654431	 0.092843
+H	-0.7225713984	 0.1944584719	 3.2960299092	 0.134952
+H	-0.2947410617	-1.2680064907	 2.4142835424	 0.140825
+H	 3.4525434549	 0.3023666416	 3.6080124309	 0.199292
+19
+0 4810	1.7113789	1.1039314	0.7103542	1.7895	78.87	-0.25157	-0.02319	0.22838000000000003	1551.1466	0.152851	-422.534158	-422.523444	-422.5225	-422.571035	37.041
+O	 0.3295771184	 2.4517150466	-0.730111308	-0.421571
+C	-0.7769193587	 2.9020174277	 0.0346216659	-0.092829
+C	-1.6808630497	 1.7010929845	 0.3167945586	 0.007422
+C	-2.9659790237	 2.1406179855	 1.0420879077	-0.292402
+C	-3.8799834994	 2.9582458202	 0.1598435389	 0.158523
+O	-4.3215414351	 4.0447912556	 0.4330626839	-0.244255
+C	-0.9095903528	 0.6224310578	 1.1150093309	-0.366777
+C	-1.6588908538	-0.6153167303	 1.2825763713	 0.293676
+C	-2.3007185453	-1.6248946848	 1.4048227983	-0.439255
+H	 0.923487979	 3.1938690026	-0.8742792162	 0.292952
+H	-0.4518343503	 3.3479428569	 0.989571003	 0.092817
+H	-1.346463034	 3.6733316571	-0.5067045357	 0.102783
+H	-1.9551548463	 1.2615562015	-0.651098107	 0.101721
+H	-3.5179353541	 1.2365892164	 1.334591928	 0.138697
+H	-2.7444157068	 2.7128263477	 1.9492969483	 0.116301
+H	-4.1360438524	 2.4640075022	-0.8078239976	 0.074782
+H	 0.0321262129	 0.4237150403	 0.5938282267	 0.155462
+H	-0.6415321267	 1.0272280822	 2.1007898905	 0.125124
+H	-2.8495253614	-2.5266877796	 1.5189645925	 0.19683
+19
+0 4811	2.1793543	0.942442	0.6939202	1.7041	79.59	-0.24858	-0.03591	0.21267	1611.7391	0.15199	-422.515904	-422.505086	-422.504142	-422.553257	36.867
+C	-1.6859315988	 3.430953049	-1.0845697287	-0.390444
+C	-0.9588899349	 2.2287509792	-0.477813806	-0.199744
+C	-0.7025633636	 1.1135980047	-1.5013884339	 0.061004
+O	-1.956017599	 0.6509560478	-1.9706646945	-0.255244
+C	-1.8607970716	-0.1142448406	-3.1639460233	-0.220631
+C	-3.1862060674	-0.5557081806	-3.5726196058	 0.282926
+C	-4.2681424401	-0.9331920421	-3.9306892434	-0.412695
+C	 0.0665413492	-0.0201803561	-0.8273950192	 0.129008
+O	 1.2622112249	-0.0494892168	-0.7012458494	-0.243495
+H	-1.8721284243	 4.193290876	-0.3225636046	 0.11791
+H	-1.0904486251	 3.8908535845	-1.8807322737	 0.115726
+H	-2.6451622706	 3.1276084754	-1.5101203529	 0.140709
+H	 0.0107437128	 2.5271231498	-0.064969784	 0.121116
+H	-1.5468958687	 1.8110207579	 0.3485459777	 0.112802
+H	-0.0890405247	 1.5068573132	-2.3277579774	 0.089468
+H	-1.4021705854	 0.4890559064	-3.9647338154	 0.128442
+H	-1.2087243027	-0.9915997884	-3.0187723624	 0.128135
+H	-5.2275925084	-1.2645204222	-4.2433444402	 0.205049
+H	-0.5967218816	-0.8186756172	-0.419062903	 0.08996
+19
+0 4812	2.5926891	0.8152289	0.6480251	2.0116	79.88	-0.24734	-0.03622	0.21112	1697.2067	0.152371	-422.518141	-422.50733	-422.506386	-422.555324	36.797
+C	 1.4539501305	-0.0120697565	-0.2506876699	-0.243779
+O	 0.0956809621	-0.147928784	 0.1203944076	-0.24326
+C	-0.2691680488	 0.6331852577	 1.2391093148	 0.028411
+C	-1.8003073289	 0.6979185689	 1.2999415485	-0.205362
+C	-2.4006414949	 1.3508555649	 0.0383948863	-0.361892
+C	-3.8561564166	 1.3969936878	 0.0751843608	 0.290818
+C	-5.0565933271	 1.4204865408	 0.1308534394	-0.43362
+C	 0.2500765305	 0.0016690624	 2.53013286	 0.133523
+O	 0.4435295002	 0.6048387665	 3.5520088477	-0.242101
+H	 2.1380663021	-0.3200768559	 0.5539207549	 0.11597
+H	 1.6167258534	-0.6582295823	-1.1157970189	 0.136937
+H	 1.6931914178	 1.0256961652	-0.5265193314	 0.115799
+H	 0.1423505661	 1.65277673	 1.1641876605	 0.089368
+H	-2.1996792302	-0.3164570286	 1.4081123355	 0.123163
+H	-2.0885838968	 1.2612026139	 2.1921339462	 0.132957
+H	-2.0026020489	 2.3687070576	-0.0681251278	 0.128463
+H	-2.0638036312	 0.7930796383	-0.8416149494	 0.150574
+H	-6.117344407	 1.44788666	 0.1666378203	 0.195338
+H	 0.402060158	-1.1001098468	 2.447912435	 0.088694
+19
+0 4813	3.0749816	0.7584161	0.6366568	3.7939	78.71	-0.24965	-0.02278	0.22687000000000002	1711.9007	0.152885	-422.531917	-422.521092	-422.520148	-422.569035	37.123
+O	 6.6932234988	 2.2349414791	 1.535828862	-0.419419
+C	 5.2814930915	 2.2959660806	 1.659333755	-0.108174
+C	 4.7113144877	 1.1127756472	 0.8841299893	-0.057523
+C	 3.1693585073	 1.0754142573	 0.9678929378	-0.215684
+C	 2.5349037094	 0.0962544042	-0.041367333	-0.364349
+C	 1.0826100426	 0.0497631	 0.0718278807	 0.291872
+C	-0.1136951493	 0.0330059487	 0.1872791195	-0.434952
+C	 5.2740095592	-0.1858515298	 1.4391174847	 0.181142
+O	 5.5311390125	-1.159899308	 0.7810591588	-0.254607
+H	 7.0813121787	 2.9273853785	 2.078852215	 0.292886
+H	 4.967686425	 2.2312857867	 2.7148489099	 0.092181
+H	 4.876353187	 3.2353936603	 1.2540308279	 0.097761
+H	 5.0222984851	 1.1848248753	-0.1640580988	 0.106689
+H	 2.8548820204	 0.802813041	 1.9829051954	 0.116299
+H	 2.7765998246	 2.0817304666	 0.7849206899	 0.116647
+H	 2.8152444614	 0.3956369341	-1.059378218	 0.135045
+H	 2.9531923079	-0.9070157144	 0.1002286877	 0.155312
+H	-1.1711494117	 0.0045938095	 0.277110576	 0.194882
+H	 5.3889066519	-0.195253527	 2.5492084504	 0.073994
+19
+0 4814	2.9656949	0.831466	0.6931141	1.9694	78.62	-0.26878	0.00763	0.27641000000000004	1632.8269	0.153998	-422.552434	-422.541987	-422.541043	-422.589255	36.027
+C	 2.4576805203	 2.3092724849	-1.0300188999	-0.391763
+C	 3.0000882846	 1.4718530742	 0.1288826285	-0.179936
+C	 2.5269535662	-0.0016676449	 0.0984078847	-0.177253
+C	 3.2168007223	-0.7965280207	 1.2116216353	-0.068198
+O	 2.8836718614	-2.1863233872	 1.0389601988	-0.203944
+C	 3.3230036126	-3.0133540508	 1.9959022227	 0.184202
+O	 3.9670103664	-2.6992696361	 2.9588698284	-0.301384
+C	 1.0722479464	-0.1070084904	 0.2014570191	 0.354867
+C	-0.1234229335	-0.1697930387	 0.3073116106	-0.48407
+H	 2.7803704476	 1.9046082683	-1.995618948	 0.116265
+H	 1.3643491229	 2.3274273983	-1.0225665805	 0.136061
+H	 2.8162629049	 3.3405177266	-0.9635554931	 0.116945
+H	 4.0966251553	 1.4755497924	 0.1079938116	 0.101178
+H	 2.700425459	 1.9180310096	 1.0844434844	 0.111849
+H	 2.839836903	-0.4423878843	-0.8585082433	 0.115202
+H	 4.3035523055	-0.6801782183	 1.15176185	 0.122416
+H	 2.8909621603	-0.4656237921	 2.2014996981	 0.134993
+H	 2.9967543038	-4.0366986739	 1.7546607031	 0.112805
+H	-1.1797953591	-0.2385285969	 0.3916885695	 0.199767
+19
+0 4815	2.093669	0.9440227	0.6782887	2.8434	79.17	-0.25724	-0.02787	0.22937000000000002	1636.8603	0.151899	-422.518362	-422.507507	-422.506563	-422.555743	36.9
+C	-3.2832759504	 0.0876440273	-1.1714168397	-0.391306
+C	-3.0096483931	-0.958065864	-0.0889722337	-0.185101
+C	-1.6015487383	-1.5614307123	-0.1890712379	-0.051049
+O	-0.6711512479	-0.500471896	 0.0001931793	-0.249959
+C	 0.6723902115	-0.8441296027	-0.2430362462	-0.152935
+C	 1.5259742188	 0.3801227805	 0.0326442088	 0.141674
+O	 2.6986304054	 0.4452414124	-0.2229250948	-0.238283
+C	-1.3995007391	-2.6397687118	 0.7873332414	 0.331027
+C	-1.2356738053	-3.5174799234	 1.592260996	-0.455673
+H	-2.5620584505	 0.9059537058	-1.1124839027	 0.134973
+H	-3.2155786315	-0.3518548673	-2.1729454705	 0.113936
+H	-4.2876098833	 0.5057315859	-1.0586817772	 0.116519
+H	-3.1151394879	-0.5186521312	 0.9086355232	 0.119528
+H	-3.7306297067	-1.7795614661	-0.1536732811	 0.112767
+H	-1.4646671334	-1.9804201032	-1.2013752329	 0.095728
+H	 1.0090355006	-1.6615437243	 0.4146357426	 0.136667
+H	 0.8351771922	-1.171884535	-1.2824192344	 0.121833
+H	 0.966297939	 1.217153124	 0.5053351671	 0.095701
+H	-1.0927596202	-4.2963211286	 2.3005324026	 0.203952
+19
+0 4816	2.9717371	0.7492426	0.6245613	3.5509	79.98	-0.24994	-0.02257	0.22737	1747.6373	0.152396	-422.516588	-422.505795	-422.504851	-422.553863	36.635
+C	 0.7148859073	-1.0224761366	-0.1510729428	-0.239059
+O	 0.6264987004	 0.3864964091	-0.0801989932	-0.231862
+C	 0.1096966746	 0.8744425828	 1.1456869646	-0.071946
+C	 0.2917024318	 2.3991331719	 1.1415110168	-0.212849
+C	 1.7659627277	 2.8134699487	 1.0161877349	-0.279502
+C	 1.9407997281	 4.3068447189	 1.1765190965	 0.157388
+O	 2.5032025832	 5.0268795009	 0.3935821891	-0.234665
+C	-1.3001951293	 0.5082796207	 1.3417703399	 0.331727
+C	-2.4562402067	 0.2183881275	 1.4981804044	-0.446678
+H	-0.2722158302	-1.496261098	-0.070008687	 0.123166
+H	 1.1507172708	-1.2631522098	-1.1229839965	 0.132626
+H	 1.3638527926	-1.4252045782	 0.6419407886	 0.105305
+H	 0.6949597721	 0.4507424815	 1.9821164181	 0.090681
+H	-0.289284338	 2.8101879625	 0.3096388619	 0.133209
+H	-0.1412806514	 2.7965193273	 2.0663819161	 0.115221
+H	 2.3428690699	 2.333178603	 1.8215332652	 0.1149
+H	 2.1889283274	 2.499696688	 0.0607522508	 0.142444
+H	 1.4949351867	 4.7198409478	 2.1135913136	 0.067793
+H	-3.4771016068	-0.0401016481	 1.6382111491	 0.2021
+19
+0 4817	3.2392255	0.6973862	0.598344	2.462	79.12	-0.25251	-0.02495	0.22756	1793.2914	0.15333	-422.533729	-422.523094	-422.52215	-422.57068	36.703
+O	 2.8928651541	-2.2648813327	 1.0122320934	-0.418995
+C	 3.2024897237	-1.4414409468	-0.0878817619	-0.064664
+C	 2.5986744088	-0.0218519911	 0.0386253652	-0.164976
+C	 3.0057491579	 0.8641827747	-1.1583542256	-0.211884
+C	 2.5290346808	 2.3195950991	-1.0292014348	-0.280954
+C	 2.82300553	 3.1192623203	-2.27728413	 0.160362
+O	 3.439639214	 4.1523003522	-2.3091469083	-0.236096
+C	 1.1469158813	-0.1216679949	 0.1795581547	 0.317118
+C	-0.0444075442	-0.2596315702	 0.2813115301	-0.480457
+H	 1.9311010789	-2.3099316502	 1.0737735708	 0.287112
+H	 4.2937993543	-1.3612870022	-0.116769947	 0.114013
+H	 2.8713101193	-1.8857651735	-1.0400243728	 0.094444
+H	 3.0042814325	 0.4187441583	 0.9593599588	 0.119295
+H	 4.0984130182	 0.8419148819	-1.2455160876	 0.116517
+H	 2.6035584882	 0.4241416827	-2.0793490775	 0.114085
+H	 1.4395499822	 2.3210446676	-0.8829032175	 0.134685
+H	 2.9895779602	 2.8222669535	-0.1737137843	 0.122842
+H	 2.4136567018	 2.6684532023	-3.2129949311	 0.070903
+H	-1.097883112	-0.3553623909	 0.3801205054	 0.206651
+19
+0 4818	1.8850646	1.5802042	1.0456005	1.8888	78.81	-0.23415	0.04468	0.27883	1211.7147	0.153833	-422.510666	-422.500465	-422.49952	-422.545106	37.688
+C	 1.221150098	-0.6095637381	-1.1136884541	-0.423644
+C	 0.969460048	 0.2165955483	 0.1248052341	-0.084621
+C	 1.9591417629	 1.2210627832	 0.6164218503	 0.078962
+O	 1.4816313545	 2.4233746118	 1.1299124651	-0.435229
+C	 1.7325288882	-0.0532208205	 1.437702062	 0.054504
+C	 1.0002349846	 0.1590664395	 2.7496651856	-0.173038
+O	 1.8334488651	 0.9874765175	 3.5695356697	-0.424231
+C	 2.7722303822	-1.04259497	 1.4561896598	 0.308025
+C	 3.6360576223	-1.8806056033	 1.4763534792	-0.460424
+H	 0.651025137	-1.5440266165	-1.0883502069	 0.122405
+H	 0.9232441057	-0.0544040272	-2.0093772353	 0.122291
+H	 2.2778982683	-0.8711471549	-1.2083083078	 0.132825
+H	-0.0650265574	 0.5067153931	 0.2886802189	 0.096673
+H	 2.9134467901	 1.2801566413	 0.0932055339	 0.096904
+H	 1.8141784076	 2.485667636	 2.0365949403	 0.295562
+H	 0.0384643111	 0.6516622315	 2.5625129215	 0.103852
+H	 0.8100830529	-0.8057222687	 3.2373028813	 0.106862
+H	 1.4040567286	 1.0964398225	 4.4240418088	 0.293194
+H	 4.4051291103	-2.6120460657	 1.4983111034	 0.189128
+19
+0 4819	1.7041201	1.4432463	1.1382687	1.5678	78.73	-0.2298	0.05	0.2798	1230.0728	0.152947	-422.506317	-422.495797	-422.494852	-422.541392	38.325
+C	 1.8848669816	 1.5164758533	-0.0612723988	-0.379347
+C	 1.4843121713	 0.0398123525	 0.0027064728	-0.261231
+C	 2.0347742893	-0.7807816023	-1.1616869941	 0.036038
+C	 3.4635584322	-0.9151617072	-1.2148048467	 0.320191
+C	 4.6618362968	-1.0249408872	-1.2112434358	-0.461187
+C	 1.2183046952	-1.9904837084	-1.6676284764	-0.02417
+O	-0.0025433647	-2.3146367115	-1.0798811876	-0.415586
+C	 1.2659150038	-0.7381671841	-2.4797522186	 0.04788
+O	 1.9960558668	-0.6819980241	-3.6611575765	-0.411595
+H	 1.4834810898	 2.0654844125	 0.7960132681	 0.109979
+H	 2.9732003081	 1.6262691948	-0.0576234476	 0.132269
+H	 1.5050624167	 1.9885525084	-0.9732852412	 0.119429
+H	 1.8462172158	-0.3999537363	 0.9402650872	 0.099375
+H	 0.3946683725	-0.0604141108	 0.01061065	 0.110731
+H	 5.7193947586	-1.1152684233	-1.2296368884	 0.188935
+H	 1.8152037074	-2.8256007186	-2.03268058	 0.103699
+H	 0.1733011394	-2.7847835046	-0.2573529822	 0.29402
+H	 0.3596597625	-0.1311180288	-2.4495536373	 0.100019
+H	 1.5426548469	-1.2208212042	-4.3185905569	 0.290553
+19
+0 4820	2.0911948	1.4052588	1.1677215	1.0385	79.42	-0.22796	0.02567	0.25363	1183.9696	0.152827	-422.49	-422.479495	-422.478551	-422.525175	37.689
+C	 1.4154157958	 0.0261087644	-0.2049449765	-0.265399
+O	-0.0003626777	 0.1995201039	-0.1656354702	-0.300008
+C	-0.4742003547	 0.727682872	 1.0488567058	 0.143847
+C	-0.1088844635	 0.0293744608	 2.2486240205	 0.304949
+C	 0.1963035442	-0.5374634363	 3.2658596939	-0.450828
+C	-1.8521075704	 1.3845092924	 0.9483204986	-0.134456
+C	-2.6847993738	 1.2796929123	-0.3091636219	-0.404181
+C	-0.62178749	 2.2540300357	 1.0330090372	 0.062821
+O	-0.1442342386	 2.9336779242	-0.0823993117	-0.429239
+H	 1.7441404276	-0.6998257023	 0.546962438	 0.134468
+H	 1.650013729	-0.3516418846	-1.2022917009	 0.130034
+H	 1.9399952872	 0.9752897965	-0.0372931948	 0.125723
+H	 0.4592137239	-1.0412591749	 4.1629341706	 0.195648
+H	-2.4179928166	 1.3149283672	 1.8730694843	 0.102901
+H	-3.2214961743	 0.3268329139	-0.3424385166	 0.12667
+H	-3.4228546311	 2.0877326902	-0.3375658642	 0.124959
+H	-2.0772704873	 1.3479616391	-1.2124023055	 0.1223
+H	-0.4289734513	 2.8068748905	 1.9457522844	 0.114221
+H	-0.0205432183	 2.2730077448	-0.776532341	 0.295568
+19
+0 4821	1.885386	1.3461848	0.9843364	2.119	79.36	-0.23648	0.04548	0.28196	1278.9127	0.15347	-422.510208	-422.499832	-422.498887	-422.545013	38.075
+C	 3.2384553381	-2.2636520302	-0.3777140127	-0.456377
+C	 2.2652522561	-2.084283092	 0.7700651381	 0.247596
+C	 1.1587085982	-1.0755408815	 0.5145357838	-0.129013
+O	 0.3741147088	-1.4159553821	-0.6195906025	-0.414514
+C	 1.917399798	-3.2684236564	 1.6247237282	 0.044838
+O	 2.4504478165	-4.5061960411	 1.2762502774	-0.416382
+C	 2.8338209426	-2.1860509923	 2.1960745015	-0.339898
+C	 2.4024844795	-1.3392236788	 3.266976426	 0.33323
+C	 2.0456329528	-0.6368702973	 4.1773871353	-0.446426
+H	 3.9054848812	-3.1102179721	-0.2074247396	 0.129931
+H	 2.6856296561	-2.4407306309	-1.3044387592	 0.134128
+H	 3.8418235788	-1.3594978611	-0.5134238723	 0.117259
+H	 0.5388145652	-0.9568122375	 1.4137949196	 0.09886
+H	 1.5935588418	-0.0956404319	 0.2895389059	 0.116049
+H	-0.0253341897	-2.275617351	-0.4486261008	 0.284032
+H	 0.9107713609	-3.2980042877	 2.0448823881	 0.094365
+H	 2.6089460506	-5.0049249905	 2.0848853299	 0.293529
+H	 3.8828594377	-2.470405304	 2.2223266433	 0.114504
+H	 1.7323790867	-0.0125580914	 4.9769108499	 0.19429
+19
+0 4822	1.8778362	1.3827924	0.9861159	1.8114	79.85	-0.23035	0.04878	0.27913	1282.7473	0.153636	-422.511965	-422.501732	-422.500788	-422.546726	37.74
+C	 1.399457679	 1.2167358325	-0.0599510787	-0.421925
+C	 1.0970935921	-0.2588197486	 0.0771906655	-0.081279
+C	 1.9486792658	-1.1553077489	 0.9863003095	-0.352567
+C	 1.3503574674	-2.110814364	 1.8645892951	 0.333105
+C	 0.8688337782	-2.923139894	 2.6105496767	-0.43054
+C	 1.9007169461	-1.3454779314	-0.548934743	 0.396016
+O	 1.1561243729	-2.4084657582	-1.0486275115	-0.458235
+C	 3.1753183877	-1.1220003112	-1.3302713259	-0.141807
+O	 3.9234678791	-2.3357763423	-1.3853046854	-0.422518
+H	 0.9427288711	 1.7784286912	 0.7614028674	 0.12955
+H	 2.4737197509	 1.4221168536	-0.039333796	 0.117295
+H	 1.0014432979	 1.6147036851	-0.9996447212	 0.127753
+H	 0.0398615391	-0.5070930015	 0.1085497115	 0.115955
+H	 2.8535173163	-0.683434877	 1.3657909162	 0.100344
+H	 0.4330374786	-3.6362624225	 3.2648795779	 0.190968
+H	 1.7903624586	-3.1187142118	-1.217290477	 0.288056
+H	 2.9368769445	-0.8797782519	-2.3709813815	 0.124279
+H	 3.7694620542	-0.2995603314	-0.9124241265	 0.0952
+H	 4.2269731203	-2.5288292278	-0.490703273	 0.290351
+19
+0 4823	2.2407244	1.325248	1.0521853	1.831	78.63	-0.23384	0.03535	0.26919	1231.8346	0.153366	-422.513261	-422.503129	-422.502184	-422.54792	37.544
+C	 1.2087733714	-0.1570419686	 1.085050758	-0.383644
+C	 0.8806151316	 0.2520828835	-0.3544898134	-0.235184
+C	 1.6322592036	-0.5553934933	-1.3866822153	 0.336646
+O	 3.0257391959	-0.3752028738	-1.346788553	-0.475034
+C	 1.1187774195	-0.784011071	-2.7762693675	 0.082643
+O	 2.0082892252	-0.7229645258	-3.8281314733	-0.425158
+C	 1.1515653905	-1.9658480079	-1.7760921544	-0.366598
+C	 2.1391067831	-2.9887777968	-1.8929549265	 0.302923
+C	 3.0310108452	-3.7973676075	-1.952174662	-0.421355
+H	 0.9358049464	-1.2009328302	 1.2729178231	 0.118228
+H	 2.279318986	-0.0476856657	 1.2796246113	 0.128219
+H	 0.6681452971	 0.4669755694	 1.8022772849	 0.115353
+H	-0.1943414238	 0.1493207598	-0.5450566463	 0.09892
+H	 1.1252375904	 1.310712857	-0.5071703546	 0.112501
+H	 3.4379455839	-1.2236836248	-1.1294486211	 0.295021
+H	 0.1276195299	-0.425769228	-3.0394211439	 0.109374
+H	 2.8647331828	-0.4968466754	-3.4338706515	 0.291421
+H	 0.1906120717	-2.2696781228	-1.3708877654	 0.114755
+H	 3.7824650196	-4.542502298	-2.0406826692	 0.200967
+19
+0 4824	2.2054674	1.3284974	1.2590062	1.0154	79.07	-0.2306	0.0389	0.2695	1161.775	0.152692	-422.493393	-422.482982	-422.482038	-422.528156	37.753
+C	 1.411711421	-0.0113087738	-0.0876938149	-0.255853
+O	 0.0220270177	-0.1023825297	 0.203694136	-0.277114
+C	-0.3961917375	 0.6968920342	 1.2641237768	 0.37619
+C	-0.0083293201	 0.2244515527	 2.647131331	-0.463167
+C	-0.5607697313	 2.169985324	 0.9745366556	 0.063568
+O	-0.1955026801	 2.6987201367	-0.2548927674	-0.426582
+C	-1.8061828742	 1.2761438668	 1.0762167253	-0.380258
+C	-2.5260101202	 1.0315083865	-0.1338242138	 0.326099
+C	-3.102789103	 0.8928328841	-1.1819896169	-0.426042
+H	 2.0286062044	-0.4266244282	 0.7208781333	 0.107072
+H	 1.5753140145	-0.6081677244	-0.987895304	 0.127595
+H	 1.7102574852	 1.024894739	-0.2781508099	 0.134942
+H	-0.3893366352	-0.786146369	 2.8262954228	 0.132326
+H	 1.0793956088	 0.2096962334	 2.7715615839	 0.125314
+H	-0.4178028439	 0.887805229	 3.4145892374	 0.120538
+H	-0.3946856118	 2.8796894887	 1.7803683027	 0.10756
+H	-0.7654691988	 2.3046253558	-0.9299300553	 0.293304
+H	-2.4093687367	 1.3692995584	 1.9743590427	 0.115464
+H	-3.627454479	 0.7260019358	-2.0899754454	 0.199043
+19
+0 4825	2.8644675	1.5974374	1.3031606	2.0561	72.97	-0.2346	0.05775	0.29235	1023.0432	0.156296	-422.490194	-422.481913	-422.480969	-422.523066	32.074
+C	 2.6694731428	-2.9682949858	 0.7774603714	-0.456595
+C	 2.5204209766	-1.5416004697	 0.2543802293	 0.311264
+C	 1.1002162576	-1.0087559547	 0.4557786429	-0.134326
+O	 0.1456986279	-1.7310231259	-0.3163423285	-0.426093
+C	 3.682442742	-0.6141060299	 0.6435279368	-0.170934
+C	 3.8661693713	 0.3137070741	-0.5742255509	 0.071229
+O	 2.8569482885	-0.0024006731	-1.5387864084	-0.300495
+C	 3.1010078296	-1.3970720162	-1.1932383698	 0.012274
+C	 4.4999289092	-1.0312589481	-0.5746737414	-0.142056
+H	 2.5689813408	-2.9991961434	 1.8679083938	 0.113553
+H	 1.8849851173	-3.6005370576	 0.3512969246	 0.133187
+H	 3.6438243981	-3.3958823253	 0.5202280989	 0.111008
+H	 0.8034192013	-1.1340791417	 1.5040104782	 0.099315
+H	 1.066976882	 0.0609704124	 0.2221293097	 0.102526
+H	 0.2229474047	-1.4158835344	-1.2223979341	 0.290273
+H	 4.0411265343	-0.3558930659	 1.6325837943	 0.088282
+H	 4.2686734725	 1.3172107702	-0.5420102572	 0.112279
+H	 2.8706509797	-2.0957159639	-1.9959026394	 0.08392
+H	 5.5117288337	-1.386159051	-0.7070950801	 0.10139
+19
+0 4826	3.0512141	1.5147547	1.2773503	0.5252	73.36	-0.22715	0.06672	0.29386999999999996	1049.3817	0.155905	-422.491737	-422.483499	-422.482555	-422.524239	32.26
+C	 1.0970779029	 0.0162676258	 0.9711143434	-0.411092
+C	 0.8285996093	 0.1425917546	-0.533692256	-0.235299
+C	 1.7526939186	-0.7035672059	-1.4023379699	 0.427702
+O	 3.1273776528	-0.4210352077	-1.1870492111	-0.488003
+C	 1.5148185651	-0.7541586228	-2.9095070116	-0.16426
+C	 0.4957736006	-1.8886253056	-3.1110562611	 0.08014
+O	 0.1109884084	-2.3844879894	-1.8231092653	-0.291934
+C	 1.5145446339	-2.254992516	-1.4642766204	-0.01169
+C	 1.9372532774	-2.2193818925	-2.977179829	-0.142439
+H	 1.021132304	-1.0240295583	 1.3077957994	 0.119751
+H	 2.0904142325	 0.3918769082	 1.2427685649	 0.110174
+H	 0.3708468823	 0.5979126761	 1.5458562105	 0.121935
+H	-0.199361042	-0.1606121334	-0.7507904164	 0.119294
+H	 0.9335248701	 1.190215838	-0.8415303815	 0.0985
+H	 3.315254961	-0.5749570618	-0.2551189616	 0.278839
+H	 1.6812724262	 0.0321492909	-3.6348374748	 0.092801
+H	-0.2054061417	-1.9521738759	-3.9324034253	 0.112784
+H	 1.8401591601	-2.9349160973	-0.6781682647	 0.079655
+H	 2.6542046284	-2.7532446473	-3.5829746195	 0.103143
+19
+0 4827	3.2945329	1.4898535	1.3012589	1.9919	73.89	-0.23104	0.07827	0.30931	1036.8908	0.155278	-422.475941	-422.467563	-422.466619	-422.50876	32.009
+C	 1.3851903823	-0.0012248228	-0.0580090357	-0.248798
+O	 0.0100576943	-0.019982722	 0.2574416765	-0.291978
+C	-0.3707350129	 0.6997593996	 1.4183558681	 0.44556
+C	 0.1041551027	 0.0448674391	 2.7042820768	-0.473822
+C	-0.2331206389	 2.222177652	 1.2480328428	-0.193315
+C	-1.5171777016	 2.7965413753	 1.8763131118	 0.083235
+O	-2.2683858602	 1.7151900748	 2.4364876437	-0.293256
+C	-1.8999590059	 0.9707618833	 1.2453692249	 0.00658
+C	-1.5498288799	 2.2973703994	 0.4788242915	-0.140067
+H	 2.0016069932	-0.4665631529	 0.7237605811	 0.109026
+H	 1.5042249618	-0.5763766771	-0.9796927278	 0.126859
+H	 1.7560798897	 1.0190740693	-0.232660851	 0.104789
+H	-0.0963611714	-1.0311043751	 2.6783973467	 0.119311
+H	 1.1778752591	 0.1898292883	 2.8609984549	 0.11252
+H	-0.4259638596	 0.4853481282	 3.551242611	 0.140093
+H	 0.6596604453	 2.8207286278	 1.1176413333	 0.088995
+H	-1.6024900979	 3.7822606834	 2.314179788	 0.112346
+H	-2.5902846867	 0.1761084575	 0.9717065275	 0.089672
+H	-1.8286846335	 2.7238367619	-0.4732205141	 0.10225
+19
+0 4828	3.1018286	1.4755705	1.2705307	2.4436	73.88	-0.24421	0.06376	0.30797	1041.5829	0.157309	-422.508267	-422.500332	-422.499388	-422.54036	31.757
+O	 1.0164704738	 0.9794750678	 0.3033085203	-0.422408
+C	 0.2699324783	-0.1996613615	 0.5273897281	-0.117651
+C	-1.189196388	 0.1238219469	 0.8203706307	 0.394899
+O	-1.6738598711	 0.95354873	-0.2458972892	-0.494224
+C	-2.1827686554	-0.9707938883	 1.1945136015	-0.153539
+C	-2.1640398638	-1.1162041834	 2.7285582587	-0.073125
+C	-1.145550314	-0.1192784728	 3.2813812372	-0.250423
+C	-1.6173492949	 0.8220761144	 2.1434500218	-0.089497
+C	-2.9593040202	-0.0189914136	 2.0715176243	-0.074377
+H	 0.4443630869	 1.5370348815	-0.2401450126	 0.284119
+H	 0.3053118382	-0.8760801685	-0.3481471674	 0.065144
+H	 0.7384790393	-0.7335461129	 1.3585344238	 0.109328
+H	-1.8292374982	 0.3905491168	-1.0127352136	 0.28017
+H	-2.5667494167	-1.7635272356	 0.5625574164	 0.080101
+H	-2.5387122904	-2.0201252705	 3.1926507143	 0.087539
+H	-1.4621462261	 0.2555634283	 4.2587614622	 0.102415
+H	-0.0855143249	-0.3895830419	 3.3259687398	 0.09725
+H	-1.5302646832	 1.9029990642	 2.2152187258	 0.081168
+H	-4.0061750096	 0.2418123491	 2.0978479279	 0.093114
+19
+0 4829	3.5194881	1.2720909	1.1104263	2.6323	74.09	-0.23148	0.05825	0.28973	1127.6142	0.155472	-422.464088	-422.455735	-422.454791	-422.496828	32.225
+C	 2.412332659	-3.0402054595	 0.81816471	-0.478915
+C	 2.4242920907	-1.6206598018	 0.2541059581	 0.277047
+C	 1.064026755	-0.9397869039	 0.407085993	-0.128679
+O	 0.0363493239	-1.5691888741	-0.3486938461	-0.421231
+C	 3.65673876	-0.7399307177	 0.6010966146	-0.144586
+C	 4.549716349	-1.4441613332	-0.4714463663	 0.075862
+O	 4.9903680929	-0.2063726779	-1.0990977799	-0.332948
+C	 3.5915607774	 0.0244263084	-0.7609401774	 0.077125
+C	 3.126716126	-1.4240967174	-1.1165054296	-0.117101
+H	 2.1406970138	-3.0409034986	 1.8807892046	 0.115402
+H	 1.6894922495	-3.669675226	 0.2865382984	 0.114092
+H	 3.3878100368	-3.5261854025	 0.7263283091	 0.121736
+H	 0.79396603	-0.884619932	 1.4744694473	 0.085277
+H	 1.1095434058	 0.088696233	 0.0347954578	 0.10808
+H	-0.1856597771	-2.3998414901	 0.0816871363	 0.28576
+H	 3.9853796966	-0.3388743695	 1.560993827	 0.079019
+H	 5.267541208	-2.2563749861	-0.3668743672	 0.097405
+H	 3.1530458095	 0.9891700382	-1.0105231573	 0.100887
+H	 2.8477891734	-1.7975844293	-2.1014606624	 0.085768
+19
+0 4830	3.7012377	1.2558535	1.1183844	2.7192	74.15	-0.2285	0.06103	0.28953	1138.7819	0.155176	-422.470868	-422.462523	-422.461579	-422.503598	32.343
+C	 0.4823531283	-0.4103810749	 1.254569771	-0.402878
+C	 1.2260202311	 0.0324090085	-0.0118620426	-0.236255
+C	 2.1625804147	-1.0316403681	-0.5785207257	 0.398229
+O	 1.4641044671	-2.1987692499	-0.980315685	-0.487993
+C	 3.5219928914	-1.2825227192	 0.1274890605	-0.16863
+C	 4.1853935943	-1.7261852102	-1.2161588097	 0.08499
+O	 5.3240790706	-0.8220609459	-1.0912965876	-0.333306
+C	 4.1862717129	-0.0641207375	-0.5861853816	 0.076874
+C	 3.1824169277	-0.6110484096	-1.6499359553	-0.139544
+H	-0.1793314294	-1.2619720501	 1.0589509657	 0.112206
+H	 1.1786903572	-0.697729878	 2.0500777401	 0.12059
+H	-0.1469210846	 0.396602187	 1.6404258441	 0.123139
+H	 0.4997825961	 0.2992181685	-0.7892213255	 0.107134
+H	 1.8036624569	 0.9385656573	 0.2057801305	 0.099855
+H	 1.0134711222	-2.5631730674	-0.2118365853	 0.279916
+H	 3.7499428798	-1.6605275227	 1.1246527001	 0.078804
+H	 4.3430522842	-2.7212990419	-1.6243366022	 0.106352
+H	 4.351949255	 0.9529713769	-0.2346084141	 0.096763
+H	 3.0150450647	-0.2316689226	-2.6576277671	 0.083753
+19
+0 4831	3.5275457	1.3603167	1.1702642	2.3742	74.5	-0.22972	0.07305	0.30277	1098.0454	0.154782	-422.454611	-422.446214	-422.44527	-422.487483	31.968
+C	 1.4369473827	-0.0546594656	-0.1825372677	-0.251087
+O	 0.0460238351	 0.1358634541	-0.0303931763	-0.291651
+C	-0.3525041534	 0.8619122741	 1.1181734313	 0.417371
+C	 0.0874327891	 2.3189487731	 1.0734867718	-0.468765
+C	-1.822255066	 0.5566595935	 1.4564126393	-0.152865
+C	-1.4537036719	-0.8206967269	 2.0924165137	 0.088813
+O	-2.172567002	-0.5729460948	 3.3385462229	-0.33295
+C	-1.5747137957	 0.7089525284	 2.9892763189	 0.073326
+C	-0.2407307549	 0.0922615942	 2.4621410302	-0.164374
+H	 1.891068078	-0.5053086321	 0.7123132082	 0.105697
+H	 1.5721967572	-0.7388101564	-1.0238928998	 0.128731
+H	 1.9695095995	 0.8799322427	-0.4077555386	 0.109297
+H	-0.341337907	 2.8834068031	 1.9066020984	 0.121267
+H	 1.1755217006	 2.4181574053	 1.1365538017	 0.120562
+H	-0.2411022136	 2.78303901	 0.1380890382	 0.127762
+H	-2.7272707379	 0.8063910054	 0.9035985503	 0.084411
+H	-1.4758363351	-1.8186038302	 1.6616348874	 0.105806
+H	-1.7414741869	 1.5601025588	 3.6475483842	 0.09742
+H	 0.627845142	-0.1809836667	 3.0612087558	 0.081229
+19
+0 4832	3.8783536	1.2553006	1.1262732	2.2469	75.64	-0.2465	0.06085	0.30735	1124.3149	0.156854	-422.487403	-422.479389	-422.478445	-422.519614	31.691
+O	 1.5094697704	 0.2482745455	-0.6527305276	-0.436323
+C	 0.2335896636	 0.1340570869	-0.017626501	-0.169096
+C	-0.8029616386	 0.4276939272	-1.0902032521	 0.462791
+O	-0.6011561679	-0.4328377696	-2.1878210534	-0.504464
+C	-2.2756416194	 0.572160333	-0.6838078822	-0.107867
+C	-2.0732390414	 2.0412896306	-0.1654499392	-0.057029
+C	-3.2474408506	 2.5748524111	-1.0082439627	-0.273292
+C	-2.5817361753	 1.51391497	-1.9042795878	-0.040996
+C	-1.1397690986	 1.9044150951	-1.4198326067	-0.106793
+H	 2.1727966969	-0.1534461961	-0.0853383572	 0.294082
+H	 0.0776384961	-0.88610753	 0.3629966968	 0.094491
+H	 0.1463647932	 0.8358910027	 0.8225625765	 0.093732
+H	 0.3560058156	-0.4752011876	-2.3112739636	 0.283642
+H	-2.9467372378	-0.1794875503	-0.2636697343	 0.065921
+H	-1.7674381324	 2.3334770924	 0.8400004769	 0.06738
+H	-4.256147326	 2.3528055556	-0.6442675443	 0.089948
+H	-3.1807522646	 3.6156774851	-1.3416172917	 0.090611
+H	-2.8499303476	 1.185644672	-2.9065682554	 0.08371
+H	-0.5046856357	 2.6844443366	-1.8422592311	 0.069551
+19
+0 4833	2.4048878	1.8262225	1.2782194	3.0988	73.94	-0.23425	0.0452	0.27945000000000003	1030.9353	0.155918	-422.469333	-422.461071	-422.460127	-422.501681	32.558
+C	 2.1905643717	-2.7458944169	-1.5256913371	-0.462076
+C	 2.2204014536	-1.4318023104	-0.7489799868	 0.313744
+C	 0.8049580417	-0.988116927	-0.3168724218	-0.149527
+O	 0.5660886993	-1.0284356735	 1.0726572035	-0.42113
+C	 3.4857078693	-1.3107933104	 0.0760973488	-0.128651
+C	 3.676466394	 0.0372214972	 0.8293073355	-0.001857
+O	 2.5216597515	 0.8745654742	 0.645088392	-0.264278
+C	 3.507790803	 0.7921540481	-0.4055594694	 0.005948
+C	 3.3266417543	-0.5187178926	-1.2293481919	-0.151384
+H	 1.7512616653	-3.5372730964	-0.9091081562	 0.131305
+H	 1.5784049894	-2.6451277082	-2.4286524183	 0.121232
+H	 3.1905660759	-3.0680459462	-1.832321592	 0.111327
+H	 0.5846947959	 0.0012172453	-0.7358109042	 0.09463
+H	 0.0891837119	-1.6921793864	-0.7555663199	 0.093511
+H	 1.0375568141	-0.2665634995	 1.4280180466	 0.293394
+H	 4.1240962216	-2.1658288051	 0.2614035722	 0.092744
+H	 4.2826822669	 0.211403422	 1.7099357869	 0.114708
+H	 3.9375122888	 1.7255768709	-0.7478558844	 0.115323
+H	 3.8412611019	-0.6745316451	-2.1698818935	 0.091036
+19
+0 4834	2.7735456	1.4878759	1.1814868	1.3673	74.37	-0.22816	0.05117	0.27933	1097.9291	0.154704	-422.468112	-422.459457	-422.458513	-422.501204	33.485
+C	 0.9909971538	-0.5127375673	 1.4364829109	-0.392194
+C	 1.3048529294	 0.0694420104	 0.0513411423	-0.261455
+C	 2.2817555176	-0.7884549644	-0.7345645691	 0.418303
+O	 1.713558367	-2.0342161271	-1.0975082936	-0.473854
+C	 3.785318383	-0.9534456926	-0.5354110506	-0.179493
+C	 4.6129275481	 0.3569137836	-0.3839309671	 0.005392
+O	 3.7499300346	 1.5035480574	-0.3576725966	-0.245542
+C	 4.0582247616	 0.8958333485	-1.6217270367	 0.005165
+C	 3.2101191243	-0.3911250649	-1.8491416797	-0.16081
+H	 0.5271623052	-1.5046174695	 1.3763378103	 0.100787
+H	 1.8993467744	-0.5995171636	 2.042151931	 0.120372
+H	 0.2897713152	 0.1310106344	 1.975209226	 0.118574
+H	 0.3840863134	 0.1244044778	-0.542474364	 0.09941
+H	 1.6973647467	 1.0769943947	 0.1576909088	 0.138589
+H	 1.5319491513	-2.5169499138	-0.2840589272	 0.28384
+H	 4.2115615797	-1.9372645358	-0.3870740807	 0.093988
+H	 5.5876119975	 0.4577219388	 0.0787222974	 0.111595
+H	 4.4793061734	 1.5323846532	-2.3905680738	 0.113079
+H	 3.1561019438	-0.8963861399	-2.8045021875	 0.104254
+19
+0 4835	3.7698653	1.24674	1.1409787	1.4671	75.11	-0.22886	0.05339	0.28225	1131.9028	0.154238	-422.451716	-422.443002	-422.442058	-422.484774	33.14
+C	 1.2898400806	 0.0570487785	-0.0562284501	-0.244921
+O	-0.0138569273	-0.1771137637	 0.440817795	-0.28268
+C	-0.3959933911	 0.6273861159	 1.5390546344	 0.423984
+C	 0.4105469276	 0.3306990207	 2.7857428438	-0.485572
+C	-1.884165265	 0.837692903	 1.4167993425	-0.168497
+C	-2.5333315929	 1.807812715	 2.4493281487	 0.007403
+O	-1.5587726484	 2.3009501247	 3.3810842452	-0.245978
+C	-1.6192835929	 2.8815331976	 2.0701305664	 0.002948
+C	-0.9159045639	 1.9652380618	 1.0252949643	-0.165487
+H	 2.0701569509	-0.2608250576	 0.64773911	 0.113266
+H	 1.3851496509	-0.5340623883	-0.9703194914	 0.126484
+H	 1.4507701002	 1.117171349	-0.2989369225	 0.104576
+H	 0.4298440433	-0.7540574632	 2.9369157665	 0.118293
+H	 1.4441196229	 0.6744092428	 2.6716523059	 0.112914
+H	-0.0123081919	 0.8140425356	 3.6602109878	 0.159295
+H	-2.4649191813	 0.2157017101	 0.7486380987	 0.101961
+H	-3.5701625919	 1.8134934887	 2.7634989206	 0.11277
+H	-1.7462476232	 3.9558826688	 2.0081488023	 0.111622
+H	-0.6816643667	 2.2985483806	 0.0226192719	 0.09762
+19
+0 4836	3.207318	1.3097865	1.0872459	0.7884	74.41	-0.20919	0.06012	0.26931	1141.5682	0.156355	-422.467107	-422.458681	-422.457737	-422.499988	33.072
+O	 1.4856311134	-0.2059720147	-0.2617508627	-0.430099
+C	 0.3204744409	 0.5219178793	 0.1042764366	-0.170707
+C	-0.7218900163	 0.5200660354	-1.0393698828	 0.349442
+O	-0.4375636526	-0.5093825348	-1.9653909073	-0.467693
+C	-1.3509833104	 1.7089069405	-1.7313620981	-0.133587
+C	-1.9447773127	 2.8231226789	-0.8283028609	-0.068157
+C	-1.8419883105	 2.6088039162	 0.6636985332	-0.314202
+C	-2.8271994994	 1.7989338715	-0.1275326098	-0.059928
+C	-2.2200691378	 0.6758475512	-1.0027169555	-0.109667
+H	 1.2181387336	-1.1267174981	-0.3559398822	 0.286318
+H	-0.1198245152	 0.1166813994	 1.0266683817	 0.104881
+H	 0.6698581344	 1.535281778	 0.3065468294	 0.129514
+H	 0.4763291762	-0.3656520889	-2.2416941742	 0.285013
+H	-1.2399084262	 1.8306355717	-2.8016607063	 0.090079
+H	-2.2304088564	 3.7863891105	-1.2316704022	 0.092008
+H	-0.9873987506	 2.1797264645	 1.1676472947	 0.116023
+H	-2.3052982599	 3.4104283279	 1.2335710209	 0.112091
+H	-3.8920199496	 1.8482193539	 0.0616392436	 0.09082
+H	-2.8249998209	-0.1022984923	-1.4507488182	 0.097851
+19
+0 4837	2.460816	1.3859781	1.1252965	2.9159	76.26	-0.24406	-0.01702	0.22704	1153.1082	0.155573	-422.548213	-422.539168	-422.538224	-422.581928	33.906
+C	-3.2113759902	-1.9997826703	-1.1199330395	-0.456793
+C	-2.2042409367	-0.8594497812	-1.1367900366	 0.294408
+C	-1.9655657752	-0.3111773326	-2.5375868247	-0.13746
+O	-1.4133885823	-1.2922426271	-3.4018600395	-0.41642
+C	-2.1483680305	-0.0306055415	 0.1010570076	-0.10798
+C	-1.1358147347	 1.1225158226	 0.0145504481	-0.379447
+C	-0.0431049214	 0.051499567	-0.2466703027	 0.399709
+O	 1.1530229033	 0.1028483632	-0.3166896738	-0.317287
+C	-1.0260170382	-1.0780556963	-0.1697974394	-0.231964
+H	-3.2969991614	-2.4516696922	-0.1276367267	 0.115714
+H	-4.2020029584	-1.6335443295	-1.4122174797	 0.122398
+H	-2.9153572461	-2.7725206019	-1.8337635457	 0.141682
+H	-2.9260969765	-0.0313554897	-2.9853019368	 0.111996
+H	-1.3414554128	 0.5908257534	-2.5184492568	 0.099893
+H	-0.536570294	-1.5106092614	-3.0670396922	 0.290978
+H	-2.912030115	-0.1084956143	 0.8649619356	 0.102669
+H	-1.2932799485	 1.908753034	-0.7276159585	 0.124629
+H	-0.9494775401	 1.5891068621	 0.9870740111	 0.134561
+H	-0.8483557313	-2.0548336544	 0.2641716901	 0.108713
+19
+0 4838	2.4745484	1.4359938	1.1343498	4.3187	75.29	-0.27267	0.00108	0.27375000000000005	1150.9535	0.155462	-422.560937	-422.551954	-422.55101	-422.594718	33.344
+C	 3.0207743253	-0.5418195082	 0.4988890473	-0.38515
+C	 2.4793770955	 0.1176350355	-0.7753116047	-0.260159
+C	 1.1634215423	-0.4725392136	-1.2618191046	 0.300046
+C	-0.0575415319	-0.1310728825	-0.422315445	-0.461662
+C	 0.8726257147	-0.6702719992	-2.7102641349	 0.022144
+O	 2.0870104461	-0.9374194327	-3.4596509164	-0.261659
+C	 2.2596592726	-2.1343385845	-2.7619228101	 0.464931
+O	 3.0831703136	-2.9661596874	-2.9595232267	-0.327462
+C	 1.0786461063	-1.9045629692	-1.8617126887	-0.326863
+H	 3.206158434	-1.6084397399	 0.3378455863	 0.132337
+H	 3.9661376245	-0.0795143905	 0.7973302228	 0.120702
+H	 2.3266663072	-0.4436555859	 1.3397135946	 0.115077
+H	 2.3221031025	 1.1897458796	-0.6002540681	 0.098461
+H	 3.2249247272	 0.0452772865	-1.5714626899	 0.132036
+H	 0.0402101799	-0.5211889333	 0.5951150877	 0.135864
+H	-0.1792777695	 0.9552163223	-0.3561677707	 0.130098
+H	-0.9740640419	-0.5488479015	-0.8506862163	 0.121528
+H	 0.0155755226	-0.3287475618	-3.2749286279	 0.126714
+H	 0.3941969892	-2.6546989337	-1.4927621847	 0.123018
+19
+0 4839	2.5066544	1.356364	1.1119356	3.0752	76.6	-0.23909	-0.01267	0.22642	1166.7812	0.154832	-422.547334	-422.538185	-422.53724	-422.58106	34.395
+C	 2.9786433041	 1.5733012322	-2.0151643834	-0.379671
+C	 2.1298027632	 0.6848911221	-1.0985362019	-0.238438
+C	 2.0131224964	-0.7351309839	-1.6094535283	 0.463207
+O	 1.3643985449	-0.71513189	-2.8526953997	-0.47531
+C	 1.7938066192	-1.9486747098	-0.7830577647	-0.166417
+C	 2.5115720883	-1.8894970854	 0.5716399169	-0.375062
+C	 3.8464701352	-1.7277750826	-0.2077441199	 0.411184
+O	 4.9949603416	-1.7307461406	 0.1366541284	-0.317687
+C	 3.1643049367	-1.7659205231	-1.5353202401	-0.268533
+H	 3.0199857419	 2.5963148515	-1.6305471346	 0.112276
+H	 4.0041382147	 1.1963496963	-2.0824154577	 0.12659
+H	 2.5604019772	 1.6016220231	-3.0240148767	 0.135663
+H	 2.5552077273	 0.6800364702	-0.0914571946	 0.111375
+H	 1.1148479602	 1.092058851	-1.0149681062	 0.109605
+H	 1.2142391534	-1.6190543741	-3.1495053971	 0.285872
+H	 1.0113178381	-2.6594030097	-1.0249324986	 0.097814
+H	 2.2203506317	-1.1113337489	 1.281275998	 0.125303
+H	 2.5113360576	-2.8558575763	 1.0855347987	 0.135511
+H	 3.5456402684	-2.1924977522	-2.4558711983	 0.106717
+19
+0 4840	3.2654792	1.1257705	1.0852835	2.6452	77.3	-0.23759	-0.01119	0.2264	1209.8831	0.154621	-422.532584	-422.523479	-422.522535	-422.56622	33.877
+C	 1.268767171	 0.0341315305	-0.1919643549	-0.25299
+O	-0.1318039742	 0.1903754199	-0.0415835581	-0.283247
+C	-0.5480992583	 0.8999205277	 1.0916666153	 0.427037
+C	-0.1117607787	 2.3491435424	 1.1212688533	-0.474396
+C	-1.8675423644	 0.3962854775	 1.5474413745	-0.114559
+C	-2.4076283209	 1.170001939	 2.7569229891	-0.38272
+C	-1.1278836251	 0.7325301828	 3.5256801788	 0.403383
+O	-0.7970520674	 0.8207531094	 4.6747301637	-0.317257
+C	-0.5851431391	-0.0061019229	 2.3434329513	-0.24508
+H	 1.7274350274	-0.404473935	 0.7047625854	 0.113814
+H	 1.4154460316	-0.6446410858	-1.0348845169	 0.133109
+H	 1.7725670826	 0.9833286713	-0.4153593832	 0.116753
+H	-0.5385705654	 2.88485377	 1.9706314911	 0.136134
+H	 0.9758336096	 2.433755685	 1.2012681389	 0.129232
+H	-0.4285110621	 2.8490584139	 0.2000308513	 0.130311
+H	-2.4489768198	-0.2573496181	 0.9111711512	 0.111697
+H	-2.6155052505	 2.237233909	 2.6461796054	 0.121759
+H	-3.2794267875	 0.6854449766	 3.2071270894	 0.136293
+H	-0.0172374288	-0.9281284932	 2.3498077548	 0.110727
+19
+0 4841	3.1701383	1.2776632	1.0989134	2.5258	75.78	-0.24439	0.00891	0.25329999999999997	1140.8237	0.156077	-422.521944	-422.513178	-422.512234	-422.555108	33.386
+C	-1.4340938197	-0.0415774452	-2.2842168124	-0.478206
+C	-1.885835766	-0.0053961018	-0.8235225225	 0.316753
+C	-3.4184269955	-0.0335984192	-0.7717886479	-0.148318
+O	-3.9480297708	-1.2458853813	-1.2936792827	-0.413651
+C	-1.13971573	 1.0033760825	 0.1454044435	-0.218942
+C	-1.5010678958	 0.0480864185	 1.3374982537	-0.262187
+C	-1.1002245702	-0.9426258424	 0.1921980029	-0.218254
+C	 0.0573118239	 0.0504157893	-0.0148385043	 0.450949
+O	 1.2385392832	 0.0692987472	-0.1643344592	-0.330996
+H	-1.9086070692	-0.8828836315	-2.7959233559	 0.138074
+H	-1.7408476918	 0.875109483	-2.8006555115	 0.119208
+H	-0.3501808637	-0.1369049548	-2.3873638817	 0.137131
+H	-3.8176813344	 0.1668065742	 0.2283731099	 0.094705
+H	-3.8011084159	 0.7561297659	-1.4275170473	 0.115219
+H	-3.69999355	-1.9560459315	-0.6929258929	 0.28522
+H	-1.16694607	 2.091425316	 0.1258121145	 0.09188
+H	-0.8429375188	 0.0817679992	 2.2073068071	 0.119455
+H	-2.5441130706	 0.0343538563	 1.6442505651	 0.113606
+H	-1.0738297846	-2.0310535944	 0.2235490316	 0.088354
+19
+0 4842	2.4332782	1.5282783	1.1163966	3.1476	75.53	-0.25515	-0.00872	0.24642999999999998	1140.783	0.154585	-422.502861	-422.493874	-422.49293	-422.536443	33.656
+C	 3.0193880582	 1.2493193394	-0.4917882691	-0.38466
+C	 2.7011342413	-0.2510257898	-0.5437159321	-0.272842
+C	 1.2715502538	-0.5767851572	-0.9846812997	 0.34028
+C	 0.2012184149	-0.105275316	-0.0051757166	-0.47733
+C	 1.0146965129	-2.0007083617	-1.58711899	-0.124428
+O	-0.1245492716	-1.4456456701	-2.3649317992	-0.305004
+C	 0.9100705935	-0.3847494678	-2.4985239282	-0.111877
+C	 1.8367860443	-1.583876911	-2.8361867612	 0.460769
+O	 2.5790878297	-2.001328943	-3.6615907277	-0.319517
+H	 2.3990691311	 1.7753700342	 0.2394872301	 0.123978
+H	 4.0646817949	 1.4092452095	-0.2124906714	 0.12275
+H	 2.8623409144	 1.7234209241	-1.4666987757	 0.121248
+H	 3.4156800169	-0.7393631361	-1.2176501876	 0.119196
+H	 2.8666022785	-0.6958053998	 0.4458313134	 0.104624
+H	 0.3779642302	-0.5369318024	 0.986001319	 0.118411
+H	 0.2174514363	 0.9833522867	 0.1014950728	 0.123487
+H	-0.7926034754	-0.4015154072	-0.3428685896	 0.143751
+H	 0.8663604057	-2.9590014421	-1.0918084758	 0.108089
+H	 0.6390113405	 0.5112244901	-3.0542635716	 0.109074
+19
+0 4843	3.2691612	1.2853115	1.1167887	4.1012	75.88	-0.23673	0.01815	0.25488	1147.9065	0.155533	-422.529373	-422.52058	-422.519635	-422.562529	33.599
+C	 1.6104980496	 1.4303141573	-0.1276713271	-0.374646
+C	 1.3613541506	-0.0819478695	-0.1672998664	-0.275016
+C	 2.0413660318	-0.7655633335	-1.3527573643	 0.462137
+O	 3.4462761618	-0.619844313	-1.2642851854	-0.477898
+C	 1.5375006763	-2.1872128139	-1.8257371364	-0.257175
+C	 0.3406450162	-1.4411637254	-2.5106288879	-0.263196
+C	 1.5597187546	-0.5052115939	-2.8192455773	-0.21844
+C	 2.2754076703	-1.8380496173	-3.1339391903	 0.462219
+O	 2.9392908613	-2.3474989835	-3.9781696955	-0.324923
+H	 1.1987247051	 1.8697706474	 0.7855006295	 0.113527
+H	 2.6807610546	 1.6480159676	-0.164112772	 0.13194
+H	 1.138876263	 1.9284477326	-0.9809090562	 0.120925
+H	 1.7606154393	-0.5454596438	 0.7466563582	 0.091659
+H	 0.2877968198	-0.2846283469	-0.1503826987	 0.107607
+H	 3.7371479725	-0.9620603776	-0.4118761344	 0.282374
+H	 1.5135164206	-3.1177888356	-1.2611106174	 0.086824
+H	-0.1180101925	-1.9386337371	-3.3653573255	 0.123137
+H	-0.414451028	-1.0327391916	-1.8419379623	 0.114012
+H	 1.566640683	 0.4349931776	-3.3658689305	 0.094932
+19
+0 4844	2.4281858	1.7087603	1.2065226	3.6923	75.95	-0.23746	0.01724	0.2547	1077.7302	0.155049	-422.51351	-422.504561	-422.503616	-422.54709	33.328
+C	 1.3057724367	-0.1708644806	-0.1415416004	-0.254852
+O	-0.0755115358	 0.0098905414	 0.1038530119	-0.29044
+C	-0.4102919455	 0.7519149868	 1.2593971353	 0.464494
+C	-0.0469680093	 2.2210592436	 1.086555239	-0.481533
+C	-0.1284606742	 0.0171389308	 2.6310347877	-0.245857
+C	-1.3829965314	 0.7693993842	 3.194322174	-0.267988
+C	-1.841352128	 0.3551214322	 1.7545622913	-0.230401
+C	-1.1812216025	-0.9909386168	 2.121648798	 0.463425
+O	-1.4062081678	-2.158449934	 2.1184293269	-0.326086
+H	 1.8239748166	-0.5913291691	 0.7316137226	 0.11303
+H	 1.3849412399	-0.8793296596	-0.9688752338	 0.136747
+H	 1.8070270441	 0.7624220362	-0.4319812874	 0.110809
+H	-0.4154925728	 2.8575284983	 1.8913748507	 0.126705
+H	 1.0381623434	 2.3514471101	 1.038962262	 0.126326
+H	-0.4699844576	 2.5815569464	 0.1442575903	 0.135133
+H	 0.8224801681	-0.1535528766	 3.1315249351	 0.08949
+H	-1.902028436	 0.2919487287	 4.0256879281	 0.123439
+H	-1.2602225198	 1.8361586629	 3.3700546081	 0.113679
+H	-2.7898949979	 0.5576050451	 1.2622767604	 0.09388
+19
+0 4845	2.6813375	1.5875841	1.2859502	1.6355	74.23	-0.23839	-0.00898	0.22941	1039.6113	0.156329	-422.508868	-422.500484	-422.49954	-422.541536	32.688
+C	 2.7862694643	-2.8156978692	 0.1637502128	-0.456127
+C	 2.0510638029	-1.9039025241	 1.1454854261	 0.309491
+C	 1.1088323755	-0.9695947753	 0.3845343241	-0.147746
+O	 0.093996543	-1.6872521377	-0.3127584962	-0.417105
+C	 2.9672593851	-1.3405375685	 2.30707059	-0.03442
+O	 2.9486627417	-2.683483452	 2.89043793	-0.2836
+C	 1.5531009073	-2.6613808751	 2.4505876642	-0.031507
+C	 0.9897792387	-1.5233863568	 3.314765617	-0.093953
+C	 1.9617265503	-0.6125359606	 3.2145166622	-0.083324
+H	 3.396194953	-3.5532667561	 0.6850933349	 0.133357
+H	 2.0618635635	-3.3252329589	-0.4774359713	 0.130167
+H	 3.4385159455	-2.2234435014	-0.4891000358	 0.110028
+H	 0.6716742458	-0.214970617	 1.0465983643	 0.091837
+H	 1.6779892533	-0.4412337049	-0.3890192556	 0.107296
+H	-0.5215681959	-2.0306856606	 0.3425480391	 0.283292
+H	 3.9628194296	-0.9294346145	 2.1408038466	 0.078738
+H	 1.0690321758	-3.6379848597	 2.4327241988	 0.079448
+H	 0.0449413048	-1.498045878	 3.8375572198	 0.110765
+H	 2.0503701858	 0.3804196305	 3.629674959	 0.113364
+19
+0 4846	2.7794849	1.5688431	1.2969418	1.5367	74.71	-0.24401	-0.00575	0.23826	1046.7224	0.156635	-422.521337	-422.513231	-422.512286	-422.553748	32.148
+C	 0.6605768736	 1.4563306236	 0.182636878	-0.38062
+C	 1.2807852118	 0.0537030048	 0.1656141017	-0.252145
+C	 2.1635781104	-0.1778618864	-1.0480489552	 0.48535
+O	 1.3525236357	-0.0882901827	-2.1810609969	-0.488352
+C	 3.5753107555	 0.5431185616	-1.2517768967	-0.063124
+O	 3.8984649386	-0.5684288747	-2.1623683525	-0.313162
+C	 3.2101041745	-1.3791166786	-1.1438812732	-0.069689
+C	 4.0828383594	-1.1599988507	 0.08085621	-0.083222
+C	 4.3316269858	 0.1538915074	 0.0074761882	-0.082435
+H	-0.0037553324	 1.5758880865	 1.0434298202	 0.110623
+H	 1.4335089834	 2.2301843083	 0.2506558406	 0.109366
+H	 0.0830542465	 1.6368369801	-0.7267860336	 0.138701
+H	 1.8549694589	-0.117219582	 1.0779978703	 0.104083
+H	 0.484037802	-0.6992585808	 0.1364697625	 0.107167
+H	 1.9458430482	-0.2308786011	-2.9322263395	 0.286073
+H	 3.6808982928	 1.5325151141	-1.6948977014	 0.08304
+H	 2.9340912101	-2.3797594486	-1.4744663776	 0.081713
+H	 4.3633423672	-1.8916518682	 0.8238654301	 0.113349
+H	 4.8746852681	 0.8085506876	 0.6727935249	 0.113284
+19
+0 4847	3.1394561	1.5084374	1.3156037	2.5804	75.36	-0.23139	-0.00215	0.22924	1039.0369	0.155333	-422.495633	-422.487131	-422.486187	-422.528558	32.544
+C	 1.4921733613	-0.0332041868	-0.0176994105	-0.25068
+O	 0.0927153648	-0.0712175351	 0.1652989591	-0.278107
+C	-0.4069840276	 0.5282283404	 1.3332076641	 0.451917
+C	 0.0784657545	-0.2029659072	 2.5788239294	-0.485683
+C	-1.9322478407	 0.8615806799	 1.0861683756	-0.035094
+O	-1.4934996318	 1.9635911032	 0.2363220912	-0.275353
+C	-0.4614154965	 2.1234013172	 1.2526900338	-0.053487
+C	-1.2949681566	 2.4613935551	 2.4925941421	-0.085051
+C	-2.3089854939	 1.597293332	 2.3762665811	-0.092422
+H	 2.0306580295	-0.6770408543	 0.6915818979	 0.108191
+H	 1.6837752771	-0.3972639714	-1.0297897256	 0.132288
+H	 1.8912018573	 0.9877949235	 0.0661812715	 0.106065
+H	-0.1122359013	-1.2749428112	 2.4646691164	 0.126605
+H	 1.1565442811	-0.0702690954	 2.7135698266	 0.119735
+H	-0.4147588312	 0.1501425142	 3.4829092953	 0.128213
+H	-2.6134841382	 0.1575547922	 0.6109264513	 0.082583
+H	 0.3789742651	 2.7512883146	 0.9590554522	 0.078815
+H	-1.0672357609	 3.1868986333	 3.259740597	 0.109864
+H	-3.1570831617	 1.4088207254	 3.0176769015	 0.111603
+19
+0 4848	2.8725387	1.5276783	1.2869931	1.8504	75.28	-0.22383	0.00941	0.23324	1037.2608	0.157895	-422.529385	-422.52151	-422.520565	-422.56132	31.97
+O	 1.607084575	 0.2343398225	-0.8288524206	-0.424947
+C	 0.3143581279	-0.2365684709	-0.4267112757	-0.169565
+C	-0.7671005406	 0.4300823161	-1.2796946732	 0.45397
+O	-0.3652106046	 0.3425197902	-2.6218573182	-0.494471
+C	-1.3606844094	 1.8673948199	-0.8682338453	-0.152672
+C	-2.5930610346	 1.4500718534	-1.7389867882	-0.218023
+C	-2.2885006928	 0.0490630412	-1.1063210301	-0.124606
+C	-2.4894626467	 0.3658323758	 0.3754376591	-0.094936
+C	-1.8875884194	 1.5533107734	 0.52675521	-0.096697
+H	 1.7095937541	 1.1308535714	-0.4917562278	 0.290652
+H	 0.3209485815	-1.3112271858	-0.6368630815	 0.118675
+H	 0.1513469124	-0.0913233445	 0.6430184604	 0.107378
+H	 0.6024861488	 0.3774222825	-2.5989989232	 0.283268
+H	-0.8112010736	 2.7934607319	-1.041295003	 0.053232
+H	-3.5502933376	 1.9039331596	-1.4741770466	 0.088133
+H	-2.4033957557	 1.495020801	-2.8112305511	 0.120437
+H	-2.6820364591	-0.8810720579	-1.5156046628	 0.063745
+H	-2.9759325484	-0.2639344204	 1.1068489263	 0.099712
+H	-1.7471143273	 2.1467768807	 1.4197056413	 0.096715
+19
+0 4849	2.3111125	1.5014924	1.2076547	2.6449	75.86	-0.23579	-0.00992	0.22587	1110.0863	0.155546	-422.548659	-422.539466	-422.538522	-422.582421	34.029
+C	-1.1389264962	 1.8159706023	-1.2296806955	-0.44316
+C	-1.1298811443	 1.0719550577	 0.1131040344	 0.164441
+C	-1.0846357088	 2.0495923858	 1.2798484618	-0.125577
+O	-2.2548091913	 2.8552012962	 1.2250679004	-0.424623
+C	-2.170596868	-0.0717812433	 0.1596077241	-0.058276
+C	-1.9490669027	-0.96853309	 1.3207477775	-0.304981
+C	-1.0532294313	-1.1489409835	 0.0992801872	-0.175714
+C	-0.0405800838	-0.0474417067	 0.0626762581	 0.374856
+O	 1.1423283113	-0.0047321057	-0.1332397473	-0.332704
+H	-1.2227106848	 1.1178723887	-2.0683722904	 0.115749
+H	-1.9807011671	 2.5113435218	-1.2648225641	 0.138619
+H	-0.2113170511	 2.3824273459	-1.3540176641	 0.129297
+H	-1.0255182959	 1.5117930606	 2.2375238094	 0.085218
+H	-0.1702899721	 2.6565018899	 1.1912361948	 0.101927
+H	-2.2121302329	 3.4983803868	 1.9386351448	 0.289684
+H	-3.0882714726	-0.0740572321	-0.4137142098	 0.104828
+H	-1.5359801753	-0.5999723207	 2.2542955408	 0.122953
+H	-2.6684667968	-1.7709125064	 1.4498424532	 0.127368
+H	-1.0030968364	-2.0941313074	-0.4267391052	 0.110092
+19
+0 4850	2.0806273	1.5468835	1.4440007	2.8031	74.76	-0.23858	-0.02865	0.20992999999999998	1071.6955	0.154428	-422.535326	-422.526087	-422.525143	-422.569016	34.012
+C	 2.9292192695	-0.6943483002	-0.2870229487	-0.41033
+C	 1.5750806843	 0.0265782216	-0.3007050523	-0.224193
+C	 0.6068874934	-0.3529047299	-1.4367965284	 0.130151
+C	-0.710690423	 0.4102790405	-1.3280213254	-0.455178
+C	 0.483794201	-1.8730061916	-1.7154882534	 0.003348
+O	-0.2701680119	-2.0131074111	-2.9119335477	-0.23633
+C	 1.1530104754	-1.7919739025	-3.0391952373	-0.119256
+C	 1.3333781867	-0.2916893419	-2.8295150247	 0.404991
+O	 1.9354724619	 0.5693555333	-3.3993866167	-0.31482
+H	 3.5294057043	-0.3508131249	 0.5604078105	 0.121116
+H	 2.8176200112	-1.779051366	-0.1904478895	 0.115728
+H	 3.5023714382	-0.4935713258	-1.1972804234	 0.135999
+H	 1.057046854	-0.150389786	 0.6509248064	 0.101755
+H	 1.7423801782	 1.1082214328	-0.3621186194	 0.120552
+H	-1.1628177433	 0.2708606138	-0.339537813	 0.115147
+H	-0.5384425787	 1.4820734197	-1.469621936	 0.131058
+H	-1.4199246844	 0.0731559421	-2.0866015339	 0.139287
+H	 0.4895527384	-2.7028478038	-1.0184919395	 0.117434
+H	 1.7253541048	-2.5161158602	-3.6070135877	 0.123539
+19
+0 4851	2.6059348	1.472926	1.2237488	3.972	76.05	-0.23577	-0.01284	0.22293000000000002	1106.2073	0.155181	-422.551171	-422.542025	-422.541081	-422.584636	34.204
+C	 1.2484914806	 1.1837807476	 0.3217717335	-0.385745
+C	 1.122462813	-0.3230311392	 0.076656624	-0.255385
+C	 1.855434056	-0.8029931092	-1.1809335976	 0.271285
+O	 3.2204711494	-0.4436924831	-1.1793557559	-0.468902
+C	 1.5234255991	-2.2620117206	-1.5774649861	-0.097908
+C	 2.1481638311	-2.5740698576	-2.8855989078	-0.298918
+C	 0.8416001623	-1.7864442825	-2.8916335874	-0.168854
+C	 1.1114721192	-0.3731913858	-2.4948925496	 0.399548
+O	 0.7279941897	 0.6917880368	-2.8917132829	-0.327348
+H	 0.7258246044	 1.4696620939	 1.2392802338	 0.107338
+H	 2.2972169141	 1.4765757576	 0.4190050487	 0.118441
+H	 0.8238048124	 1.7457142738	-0.5131201872	 0.152618
+H	 1.5252570331	-0.8844082862	 0.9338936306	 0.087882
+H	 0.0666769755	-0.6098206146	 0.0005239631	 0.108964
+H	 3.6033189168	-0.7096318151	-0.3349362712	 0.279762
+H	 1.1403485939	-3.0152696188	-0.900279317	 0.099721
+H	 3.0764308075	-2.0862608905	-3.1622829781	 0.141649
+H	 2.0434399949	-3.5922527656	-3.2451892825	 0.124844
+H	-0.0414648229	-2.1594615209	-3.3946738504	 0.111009
+19
+0 4852	2.2810603	1.6225793	1.2749027	4.0351	76.09	-0.23411	-0.01145	0.22266000000000002	1083.9961	0.154803	-422.535519	-422.526286	-422.525342	-422.569349	33.843
+C	 1.3533096967	-0.1373563909	-0.2289907144	-0.251774
+O	-0.0322304555	 0.0627487075	-0.0250490391	-0.282169
+C	-0.3816365717	 0.6871450787	 1.1900922036	 0.273164
+C	 0.0561618784	 2.1478974866	 1.267564098	-0.459302
+C	-0.1332036969	-0.1302067056	 2.4821421304	-0.095695
+C	-0.7725839692	-1.4644048674	 2.3569167825	-0.29378
+C	-1.6653237273	-0.282769008	 2.7164522525	-0.180175
+C	-1.9117158588	 0.5491458472	 1.5015773155	 0.389223
+O	-2.8718775651	 1.1025945867	 1.0463850714	-0.326915
+H	 1.8136099264	-0.6805453212	 0.6091184337	 0.110614
+H	 1.4531760658	-0.7393312738	-1.135097559	 0.132391
+H	 1.896166948	 0.8059215	-0.3758833805	 0.113263
+H	-0.3150417759	 2.6136326422	 2.185184207	 0.126963
+H	 1.1462543096	 2.2418500176	 1.2642836157	 0.118385
+H	-0.3504856972	 2.6962425843	 0.4142112788	 0.144753
+H	 0.5980336194	 0.1127341168	 3.2423765561	 0.102013
+H	-0.858819543	-1.9276115134	 1.3801756295	 0.140994
+H	-0.6155088693	-2.1567081291	 3.1772859115	 0.125235
+H	-2.2317654044	-0.2656805482	 3.6390701169	 0.112813
+19
+0 4853	2.7973204	1.3694658	1.2012238	2.0927	76.57	-0.21291	0.02047	0.23337999999999998	1106.5783	0.157082	-422.553994	-422.545491	-422.544546	-422.586742	33.001
+O	 1.5862003162	 0.416246323	-0.864146907	-0.436772
+C	 0.3066644451	 0.21783183	-0.2522500517	-0.16808
+C	-0.5739211599	-0.3752660837	-1.3203045645	 0.437208
+O	-0.589973399	 0.4143850183	-2.4775664805	-0.480384
+C	-1.8842857561	-1.0522540296	-1.0702407964	-0.122576
+C	-2.2443272967	-1.5660849785	 0.3264154317	-0.283655
+C	-1.1977216288	-2.6291903466	 0.5971538991	-0.083164
+C	-0.3782689754	-2.8048837144	-0.444400694	-0.079034
+C	-0.6941271257	-1.8833506219	-1.5670138864	-0.149693
+H	 2.084471223	 1.0403742962	-0.3297293665	 0.29207
+H	 0.3831985941	-0.4437080424	 0.6172814111	 0.103006
+H	-0.1206362688	 1.1789348676	 0.0693503178	 0.094067
+H	 0.3363322437	 0.6370428844	-2.6406851715	 0.28672
+H	-2.6773649861	-0.7724423939	-1.7535169358	 0.097351
+H	-2.2338943881	-0.772575169	 1.0858201231	 0.106375
+H	-3.2590901115	-1.9859909136	 0.3438499838	 0.109011
+H	-1.1343050015	-3.1552566751	 1.5430645743	 0.09194
+H	 0.4433731446	-3.5114503284	-0.4809433073	 0.094953
+H	-0.6079129293	-2.2020242324	-2.5995187793	 0.090656
+19
+0 4854	2.7265778	1.4619236	1.2382448	3.0921	75.36	-0.24509	-0.00337	0.24172	1079.4177	0.15637	-422.545733	-422.537108	-422.536164	-422.578599	33.045
+C	 2.7384065054	-2.9287123823	 0.2312651845	-0.455273
+C	 2.5961022407	-1.4104353536	 0.4285750003	 0.199207
+C	 1.1112371716	-0.9867183556	 0.4616843664	-0.098838
+O	 0.3910683819	-1.3778224846	-0.6968688954	-0.423612
+C	 3.3177580142	-0.9520587118	 1.6892548807	-0.119453
+C	 4.3643088254	-0.1627669235	 1.4348477701	-0.103151
+C	 4.4681965717	 0.0902540891	-0.0327859455	-0.009718
+O	 3.3036454612	 0.7664365366	-0.5696567939	-0.262076
+C	 3.366544433	-0.6547070036	-0.6661469825	 0.019302
+H	 2.2780979755	-3.479016133	 1.0596810138	 0.113961
+H	 2.2607403139	-3.2452644872	-0.7025105141	 0.115545
+H	 3.7916431803	-3.2203854573	 0.1837734218	 0.126417
+H	 0.6370926835	-1.3761868717	 1.3760388798	 0.081764
+H	 1.0667501482	 0.1045344988	 0.4958640615	 0.13444
+H	 0.2025376519	-2.3182955225	-0.631198566	 0.284784
+H	 2.9720723395	-1.2387225451	 2.6775071076	 0.099412
+H	 5.0312013866	 0.2716822408	 2.1693365415	 0.105209
+H	 5.4052046338	 0.3347058275	-0.5233802481	 0.09724
+H	 3.4085055216	-1.0557492511	-1.6753930025	 0.09484
+19
+0 4855	2.7419402	1.4718674	1.2395725	0.7965	75.36	-0.24708	-0.00549	0.24159	1087.4956	0.155844	-422.548466	-422.539752	-422.538808	-422.581514	33.324
+C	 1.2066114537	-0.130363167	 0.9536862769	-0.417112
+C	 0.9314550786	 0.0556527109	-0.5431433884	-0.21446
+C	 1.8331920476	-0.7882633752	-1.464342667	 0.316088
+O	 3.2187158519	-0.5241671708	-1.2535119421	-0.475852
+C	 1.5355451853	-0.5217647828	-2.9313845939	-0.096243
+C	 1.1902309851	-1.6243332536	-3.5978929809	-0.098986
+C	 1.1835398561	-2.8024435692	-2.6807984027	-0.001323
+O	 0.2145577444	-2.6920307495	-1.6033204959	-0.260601
+C	 1.5645495935	-2.3033475819	-1.3549433493	-0.025416
+H	 1.0813469417	-1.1736452856	 1.2615466681	 0.12883
+H	 2.2174767796	 0.1910482497	 1.23245696	 0.109089
+H	 0.5135938975	 0.4728485745	 1.5470999827	 0.12494
+H	-0.1060007296	-0.2134531948	-0.7619316195	 0.126223
+H	 1.0590575311	 1.1108064862	-0.8118205912	 0.100127
+H	 3.3909189771	-0.5773136785	-0.3069326431	 0.278966
+H	 1.5732934855	 0.4844572178	-3.3334027975	 0.106677
+H	 0.9168856362	-1.6780076573	-4.6444873461	 0.10713
+H	 1.364865365	-3.8150566004	-3.0267619218	 0.100419
+H	 2.1132861097	-2.8937386825	-0.6242637981	 0.091505
+19
+0 4856	2.902759	1.3721	1.302585	1.0051	75.8	-0.24238	-0.00506	0.23732	1084.7309	0.155587	-422.530019	-422.521359	-422.520415	-422.562898	32.915
+C	 1.3748900918	-0.0571120064	-0.14398643	-0.246401
+O	-0.0044018643	-0.0862663796	 0.1641224488	-0.288305
+C	-0.4455319925	 0.7235433122	 1.2556388647	 0.33045
+C	 0.0701748024	 2.1669488159	 1.1967039826	-0.45274
+C	-1.9668154307	 0.6779598826	 1.2364598642	-0.107187
+C	-2.480273305	 0.0658367501	 2.3039364027	-0.097179
+C	-1.3879262717	-0.3796882488	 3.2190267855	-0.003033
+O	-0.5956742718	 0.7165190311	 3.751271764	-0.260639
+C	-0.1246262658	 0.02639527	 2.5942636382	-0.01623
+H	 2.0123799291	-0.2545379118	 0.7297595423	 0.106417
+H	 1.5422055318	-0.8507803131	-0.876508449	 0.129064
+H	 1.6865189874	 0.8978521569	-0.5878337693	 0.113187
+H	-0.3483725276	 2.7297563987	 2.0330898482	 0.145821
+H	 1.1601103743	 2.2137101233	 1.2725403779	 0.118534
+H	-0.23248886	 2.6443340732	 0.259574359	 0.119731
+H	-2.5257212661	 1.1471887451	 0.4347395323	 0.106115
+H	-3.5335883862	-0.0684308982	 2.5171306514	 0.106747
+H	-1.4929905567	-1.2299427595	 3.8853989784	 0.099982
+H	 0.8060736917	-0.5226407817	 2.7095560981	 0.095665
+19
+0 4857	2.8675719	1.3552062	1.2649389	2.4151	75.77	-0.23724	0.00255	0.23979	1086.1083	0.157445	-422.559051	-422.550711	-422.549767	-422.59147	32.917
+O	 1.0697652873	 0.7614776587	 0.5790276814	-0.428822
+C	 0.1724898358	-0.329076262	 0.6109368347	-0.078183
+C	-1.2852580144	 0.154823754	 0.5875627338	 0.323048
+O	-1.3635439877	 0.93112452	-0.61759095	-0.487698
+C	-2.27854593	-0.9957927619	 0.6204432027	-0.159389
+C	-2.9966094264	-1.0086019877	 1.7450877676	-0.084523
+C	-2.6769867478	 0.1651680265	 2.614376459	-0.075138
+C	-3.0276982046	 1.506121507	 1.9956301579	-0.315101
+C	-1.6307904653	 0.946892636	 1.8530792763	-0.087243
+H	 0.7511796029	 1.3252532565	-0.1377530575	 0.287825
+H	 0.3307141945	-1.0095658068	-0.2406451952	 0.08792
+H	 0.3615624865	-0.8865173179	 1.5327195663	 0.110198
+H	-2.1307967107	 1.5079554503	-0.5427614661	 0.2816
+H	-2.3677441087	-1.6873481443	-0.2092492386	 0.100687
+H	-3.7606037603	-1.7353797032	 1.9990324097	 0.102068
+H	-2.6610053756	 0.0673772514	 3.6935573813	 0.093683
+H	-3.7096890585	 1.4989697734	 1.1497435577	 0.10663
+H	-3.1425121503	 2.3574973027	 2.6584419005	 0.116842
+H	-0.8196104668	 1.4610447573	 2.3522495387	 0.105596
+19
+0 4858	1.9682268	1.5750237	1.4907573	1.9997	76.05	-0.24346	-0.02315	0.22031	1064.0101	0.155529	-422.592139	-422.582785	-422.581841	-422.626564	34.262
+C	-0.6413574116	 2.0621997148	 1.1516027762	-0.435909
+C	-1.0112143466	 1.2010901431	-0.07469278	 0.098459
+C	-0.8300551315	 2.0433950874	-1.356436707	-0.092141
+O	-0.972217068	 1.290804071	-2.5469625247	-0.429049
+C	-2.3737774832	 0.5625210053	 0.0563643215	-0.079244
+C	-2.3262692753	-0.7619958732	 0.2009200265	-0.090363
+C	-0.9189539076	-1.2951517035	 0.1661230983	-0.37378
+C	-0.0938978096	-0.0414094872	-0.146318189	 0.378834
+O	 1.0714571105	-0.0155607575	-0.4557230199	-0.337292
+H	-0.7892373401	 1.5103913715	 2.0842109943	 0.123128
+H	 0.4061623919	 2.3741642024	 1.0953937241	 0.134975
+H	-1.2680751191	 2.959857322	 1.1919137397	 0.120796
+H	-1.6015927689	 2.8211634325	-1.3846768561	 0.108424
+H	 0.1477297882	 2.5423066778	-1.3143489244	 0.103966
+H	-0.1560479173	 0.79449086	-2.6686359818	 0.293343
+H	-3.2829503096	 1.1544467714	 0.0471487857	 0.099844
+H	-3.189141218	-1.4054673731	 0.3270062395	 0.103017
+H	-0.5912352774	-1.7328247557	 1.1193793314	 0.136187
+H	-0.744042037	-2.0630485892	-0.5970947542	 0.136804
+19
+0 4859	2.3771173	1.469104	1.1896869	2.2489	76.65	-0.24498	-0.0275	0.21748	1135.4387	0.155371	-422.593224	-422.583982	-422.583038	-422.627259	34.282
+C	 1.9161559568	 1.8262000316	-0.9264719307	-0.396168
+C	 1.5044692542	 0.4189593981	-0.4875690998	-0.204607
+C	 2.1261265124	-0.6962671031	-1.3621741295	 0.258456
+O	 1.7423312518	-0.5350826001	-2.7201597304	-0.47761
+C	 3.6229261357	-0.8201355116	-1.218114329	-0.092878
+C	 3.9828420783	-1.897994522	-0.5185368755	-0.085128
+C	 2.8086718754	-2.7472327413	-0.0970703617	-0.377804
+C	 1.6576721863	-2.0767754081	-0.8475458297	 0.350977
+O	 0.5721190969	-2.5363095877	-1.0950849842	-0.329144
+H	 1.3732266815	 2.5840749758	-0.3541302573	 0.113416
+H	 2.9863222453	 1.9987439825	-0.7727238021	 0.115041
+H	 1.6973550444	 1.9712724596	-1.9872466011	 0.137125
+H	 1.7764076648	 0.2511760504	 0.5622178541	 0.095528
+H	 0.4146162629	 0.3072177655	-0.5537965602	 0.104872
+H	 0.8688931403	-0.9436643118	-2.7981002006	 0.288705
+H	 4.3018083771	-0.0852713566	-1.6328937991	 0.112153
+H	 5.0042408388	-2.1630184604	-0.2704774376	 0.106862
+H	 2.8901529086	-3.8054168939	-0.369834254	 0.13995
+H	 2.6201701584	-2.7196231668	 0.9852899484	 0.140252
+19
+0 4860	2.0235707	1.6148507	1.4932137	2.9363	76.76	-0.23096	-0.02686	0.2041	1056.5816	0.15477	-422.575487	-422.566118	-422.565173	-422.609599	34.169
+C	 1.4044652677	-0.0772342958	-0.1581967891	-0.25568
+O	 0.0036064503	 0.0617370241	-0.0070619034	-0.270847
+C	-0.4373157017	 0.7438352269	 1.1564601007	 0.257471
+C	-1.9636274086	 0.6182097572	 1.1372387354	-0.428568
+C	 0.044871763	 2.1731172409	 1.2672115777	-0.124389
+C	 0.6355075589	 2.43960969	 2.4333228729	-0.082272
+C	 0.6952795434	 1.2438952139	 3.3473411179	-0.372501
+C	 0.1210370707	 0.1194735149	 2.4750571538	 0.353545
+O	 0.114619421	-1.0535712847	 2.73498668	-0.312945
+H	 1.8374851945	-0.7270078632	 0.6139590812	 0.122401
+H	 1.564571586	-0.5409040668	-1.1341043281	 0.129632
+H	 1.9217890226	 0.8917439619	-0.1367871748	 0.107684
+H	-2.4140755997	 1.1277336592	 1.9934718008	 0.117054
+H	-2.3563390785	 1.0612230188	 0.21768038	 0.125808
+H	-2.2351311857	-0.440223648	 1.1649589677	 0.143454
+H	-0.1106801334	 2.8839518797	 0.4631009244	 0.106511
+H	 1.0287479559	 3.4081015845	 2.7222289021	 0.106556
+H	 1.7042461737	 0.9910854348	 3.6953194488	 0.136672
+H	 0.0812253298	 1.3585339817	 4.2508266419	 0.140412
+19
+0 4861	3.315523	1.0493384	1.0114069	3.7043	78.1	-0.23746	-0.04474	0.19272	1253.0492	0.156025	-422.596186	-422.587015	-422.586071	-422.630346	34.068
+C	-3.1250151273	-1.0702160973	 1.2518242929	-0.451241
+C	-2.345519639	-0.6303076422	-0.0020016236	 0.229127
+C	-3.1315913989	-1.0191587671	-1.2768221358	-0.106332
+O	-4.4003400633	-0.3935047939	-1.3703092682	-0.422315
+C	-0.9118335527	-1.2108271288	-0.0396441698	-0.399513
+C	 0.0405402624	-0.0029803754	 0.0274624349	 0.379995
+O	 1.2475658354	-0.0546420856	 0.0542031169	-0.328468
+C	-0.8108287021	 1.2087412922	 0.0442885132	-0.201699
+C	-2.1033325059	 0.8676276057	 0.0227486677	-0.057886
+H	-3.3012152821	-2.1520707132	 1.239844635	 0.118054
+H	-2.5693427533	-0.8291566065	 2.162700819	 0.129339
+H	-4.0939443605	-0.5636032984	 1.316097219	 0.114424
+H	-2.5702338921	-0.6954230853	-2.1597917235	 0.115863
+H	-3.2192623772	-2.115673219	-1.3236230605	 0.094869
+H	-5.0073421492	-0.8510914448	-0.7816718453	 0.289163
+H	-0.70321406	-1.8903965307	 0.7914147462	 0.128057
+H	-0.7068447899	-1.768776824	-0.9603998519	 0.128096
+H	-0.3976678191	 2.209213984	 0.0667953276	 0.116061
+H	-2.9414347252	 1.5559744903	 0.015331076	 0.124407
+19
+0 4862	2.3583627	1.433172	1.2342012	4.7153	77.33	-0.26513	-0.04179	0.22333999999999998	1130.7085	0.15593	-422.618837	-422.609821	-422.608877	-422.652417	33.564
+C	 1.9076531053	 1.4709924735	-0.1296753046	-0.400781
+C	 1.1544474262	 0.1569601625	-0.3442367596	-0.198242
+C	 1.6073403934	-0.6641167974	-1.5688710757	 0.296407
+C	 0.8559834516	-2.0000124162	-1.6399162201	-0.417615
+O	 3.0173845547	-0.9506353675	-1.4448361528	-0.253347
+C	 3.7109435336	-0.4621032827	-2.5240624846	 0.405051
+O	 4.8961202075	-0.5922584258	-2.6455189079	-0.347721
+C	 2.7281131552	 0.2019703737	-3.4168768488	-0.234671
+C	 1.5201872351	 0.0957353327	-2.86995376	-0.091377
+H	 1.5506280962	 1.9679221904	 0.7768672553	 0.117993
+H	 2.9797071062	 1.2914736401	-0.0148437837	 0.143309
+H	 1.7685026965	 2.1621913523	-0.9663364678	 0.118609
+H	 1.2697442241	-0.4838905508	 0.5372890575	 0.115098
+H	 0.0795043819	 0.3473255393	-0.4522640283	 0.100787
+H	 1.0207011322	-2.5692259718	-0.7211382567	 0.136021
+H	-0.2188961558	-1.8306080658	-1.7556506599	 0.120027
+H	 1.2090918868	-2.593720054	-2.4866446417	 0.131857
+H	 3.0201923226	 0.6704014691	-4.3452259421	 0.133953
+H	 0.5801824365	 0.4671366182	-3.2594625786	 0.124641
+19
+0 4863	3.195953	1.0740944	1.0436027	3.3011	78.01	-0.23866	-0.04937	0.18929	1249.5474	0.155811	-422.597815	-422.588718	-422.587773	-422.631611	34.171
+C	 1.9972972471	 1.909197006	-0.5531715009	-0.389795
+C	 1.2533704685	 0.5796517179	-0.4063293781	-0.226435
+C	 1.8790888167	-0.5963786823	-1.191847497	 0.338145
+O	 3.2352664904	-0.7977983598	-0.7904703954	-0.473551
+C	 1.0138061742	-1.8764790809	-1.0878765911	-0.400743
+C	 0.3889890419	-2.0671529589	-2.4783474939	 0.382719
+O	-0.4826998824	-2.8507735206	-2.7691998903	-0.325616
+C	 1.0727504405	-1.1081766361	-3.3814393688	-0.196345
+C	 1.9070717122	-0.3310597778	-2.6862976181	-0.055597
+H	 1.57879794	 2.6630096094	 0.1196966794	 0.116514
+H	 3.0577532956	 1.7875212272	-0.3168357838	 0.127617
+H	 1.9234385097	 2.3005303996	-1.5725495121	 0.119784
+H	 1.2265007138	 0.2851779523	 0.6528942852	 0.093315
+H	 0.2074727107	 0.690082309	-0.715826793	 0.109155
+H	 3.2464374989	-0.9058580835	 0.1670544491	 0.280591
+H	 1.6628436742	-2.7336844018	-0.8825418697	 0.136622
+H	 0.240546398	-1.8429833755	-0.3161251409	 0.119171
+H	 0.8885841821	-1.0820976171	-4.4480957571	 0.119396
+H	 2.5550505279	 0.4357801329	-3.0947919435	 0.12505
+19
+0 4864	3.1167739	1.1369826	1.0528144	3.2342	78.41	-0.23912	-0.04845	0.19067	1225.9949	0.155259	-422.58155	-422.572374	-422.57143	-422.615526	33.891
+C	 1.417402973	-0.0116585937	-0.1780973331	-0.24757
+O	 0.0258315392	 0.0072889112	 0.0608704929	-0.288738
+C	-0.413196343	 0.6880916887	 1.2358747285	 0.351413
+C	-0.0014165028	 2.1703449844	 1.2269875304	-0.444658
+C	-0.0194381931	-0.0314715304	 2.5512408629	-0.390243
+C	-1.3406844224	-0.2652731345	 3.301860514	 0.380492
+O	-1.4520245388	-0.6514115476	 4.4406354621	-0.324978
+C	-2.4334353192	 0.0718006887	 2.3568329651	-0.199612
+C	-1.9271487952	 0.5662743269	 1.2252857021	-0.071613
+H	 1.9842847908	-0.3874098346	 0.6858731584	 0.109273
+H	 1.5777100133	-0.6911572431	-1.0187178133	 0.131526
+H	 1.8138406064	 0.975946568	-0.4506929822	 0.111344
+H	-0.4397634917	 2.6895021394	 2.0839169356	 0.129195
+H	 1.0846208443	 2.2828827605	 1.2894204425	 0.124808
+H	-0.3486027916	 2.6582201447	 0.3110405457	 0.124458
+H	 0.4163273188	-1.0096041119	 2.3242385983	 0.140524
+H	 0.6876951341	 0.5130366454	 3.1812091202	 0.121962
+H	-3.4782895105	-0.074215034	 2.5998167726	 0.120152
+H	-2.4862263217	 0.884674122	 0.3521364473	 0.122264
+19
+0 4865	3.616418	0.970789	0.9309334	2.2704	78.	-0.25514	0.01622	0.27136	1329.5052	0.154377	-422.510647	-422.501014	-422.50007	-422.545329	35.633
+C	 3.2379540987	-2.2816892746	 0.041399801	-0.440499
+C	 2.1387330927	-2.0824911955	 1.0682012926	 0.409827
+C	 0.9853654363	-1.2257399803	 0.5402989916	-0.094099
+O	 0.3060433052	-1.8959715985	-0.5008262766	-0.42072
+C	 2.568210248	-1.7714697697	 2.5194379757	-0.366955
+C	 1.8316958396	-3.086371147	 2.886437901	-0.032216
+O	 1.570279907	-3.3709350902	 1.4858340474	-0.34228
+C	 2.5988352917	-4.1246784738	 3.5517139694	 0.323617
+C	 3.2387589099	-4.9727463614	 4.1138721085	-0.445608
+H	 3.9691085117	-3.0113701129	 0.3980335556	 0.123887
+H	 2.8087254749	-2.6375597376	-0.8988367086	 0.139677
+H	 3.7517404327	-1.3334308734	-0.1520499036	 0.116095
+H	 0.3035601229	-0.9815384757	 1.3715206978	 0.079696
+H	 1.3616371991	-0.2821704528	 0.1292177432	 0.107257
+H	 0.0968831249	-2.7712443847	-0.1486481299	 0.292458
+H	 3.6441005745	-1.808438751	 2.6897893984	 0.123662
+H	 2.1543750872	-0.8633994584	 2.9615147636	 0.114487
+H	 0.8907655651	-2.9215462753	 3.4269953211	 0.107532
+H	 3.800857678	-5.7266344773	 4.6077338118	 0.204183
+19
+0 4866	3.9705576	0.8806233	0.8426854	1.9171	78.45	-0.25474	0.04529	0.30003	1409.0382	0.15473	-422.518826	-422.509288	-422.508344	-422.553027	36.023
+O	 1.1600704275	 0.5401143727	 0.6649348769	-0.421287
+C	 0.1275588013	-0.4202691192	 0.6294966345	-0.101467
+C	-1.2449227333	 0.2480135476	 0.580266569	 0.365664
+O	-1.2908640754	 1.1181003983	-0.5443900278	-0.485463
+C	-2.4330771734	-0.7281739855	 0.7853850971	-0.306225
+C	-2.5040022614	-0.2640730619	 2.2789908486	-0.160961
+C	-1.6335933835	 0.9757046625	 1.8853253984	-0.269862
+C	-3.8068449763	-0.0343223557	 2.8655723077	 0.309088
+C	-4.8945028545	 0.1691670156	 3.3370312338	-0.444756
+H	 0.9001030558	 1.2217530884	 0.0316058498	 0.284911
+H	 0.2247072017	-1.0912292325	-0.2452615233	 0.07242
+H	 0.228361318	-1.0436459596	 1.5248667284	 0.109442
+H	-1.241604827	 0.5787482412	-1.3431420363	 0.279439
+H	-3.3098006479	-0.3930367622	 0.2275510338	 0.119955
+H	-2.2621081409	-1.792156182	 0.6001378347	 0.103395
+H	-1.9283477932	-0.9454682827	 2.9132389895	 0.106028
+H	-2.2580811	 1.8436061932	 1.6681935559	 0.123685
+H	-0.8213433922	 1.2591556055	 2.5559132976	 0.121597
+H	-5.8526674152	 0.3469383763	 3.7583184616	 0.194398
+19
+0 4867	2.7193645	1.2727264	1.0271644	0.875	78.66	-0.24245	0.03841	0.28086	1205.6479	0.153241	-422.511508	-422.501267	-422.500323	-422.545829	38.279
+C	 0.2241087229	-0.2181726521	-0.7070728634	-0.481204
+C	 1.5532388033	 0.0808691374	-0.0270819826	 0.073812
+C	 2.6554544932	 0.803979396	-0.8160948637	-0.385146
+C	 1.9605520265	 1.5212992948	 0.3076603069	 0.358301
+O	 2.6557919138	 1.7541452303	 1.4962450573	-0.470421
+C	 1.0306611391	 2.7036786071	 0.0449289671	-0.150095
+O	 0.6379778657	 2.8707261341	-1.3060942847	-0.401873
+C	 1.986610169	-0.8973361265	 0.9333840019	 0.249153
+C	 2.3410342323	-1.6684829411	 1.7893630194	-0.442155
+H	-0.5705091747	-0.3468514618	 0.034513358	 0.124684
+H	-0.0539542752	 0.5968263371	-1.3767763447	 0.151923
+H	 0.2944863204	-1.1438068929	-1.2870958019	 0.123849
+H	 3.6801940625	 0.4959353878	-0.6443828259	 0.124541
+H	 2.4069990374	 1.0595926341	-1.8406585587	 0.111588
+H	 2.7127564949	 0.9201347107	 1.9829453227	 0.287224
+H	 0.1063736263	 2.5876264343	 0.6200063217	 0.121629
+H	 1.5439745043	 3.5951486442	 0.4305163091	 0.115114
+H	 1.4086192425	 3.1655279281	-1.801308572	 0.289746
+H	 2.6556561159	-2.3810675518	 2.5113327535	 0.199331
+19
+0 4868	1.9184151	1.6506077	1.1405409	2.5005	78.63	-0.24665	0.02645	0.2731	1150.243	0.153238	-422.51191	-422.501671	-422.500727	-422.546368	38.161
+C	 3.2245532563	-2.4354990192	 0.0173130434	-0.457604
+C	 2.2084553315	-2.1092957742	 1.0936471309	 0.253239
+C	 1.1108686858	-1.1531947356	 0.6490642343	-0.124322
+O	 0.2875719261	-1.705949896	-0.3627438027	-0.422386
+C	 2.6378204035	-2.0423045192	 2.5397348948	-0.400374
+C	 1.7985104835	-3.2186288738	 2.0551708548	 0.175908
+O	 2.4485207293	-4.4485060536	 1.8665799732	-0.4467
+C	 0.4200240387	-3.3345284495	 2.4632316796	 0.302722
+C	-0.7308985724	-3.4629068165	 2.7938451797	-0.483832
+H	 3.8909043406	-3.2429518429	 0.3217404817	 0.132283
+H	 2.7080448779	-2.7366607602	-0.8984593145	 0.137207
+H	 3.8272495506	-1.548714748	-0.2097231737	 0.11252
+H	 0.5156290574	-0.8301213897	 1.5141631334	 0.093119
+H	 1.5696285563	-0.2585147244	 0.2127061316	 0.107633
+H	-0.2055500183	-2.4280167428	 0.0441575675	 0.289034
+H	 3.6715679362	-2.2789839971	 2.7690020835	 0.120079
+H	 2.1725214991	-1.3124799977	 3.1939655555	 0.119922
+H	 2.4973294825	-4.8879502344	 2.7230221178	 0.289109
+H	-1.7424222545	-3.5750337053	 3.0980377293	 0.202443
+19
+0 4869	2.4945197	1.2232849	1.0600273	1.5173	78.26	-0.25486	0.02566	0.28052	1231.5642	0.152015	-422.509447	-422.498689	-422.497744	-422.545582	38.393
+C	 2.715757472	-2.9430000765	 0.3020913875	-0.485996
+C	 2.521791066	-1.4443036699	 0.2206329998	 0.329718
+C	 1.075396333	-0.9927853564	 0.3811083329	-0.144601
+O	 0.248844843	-1.4066252034	-0.6956819159	-0.413006
+O	 3.4721451919	-0.657103756	 0.9489998308	-0.316824
+C	 3.5122341025	-0.5905279309	-0.4957730152	 0.125244
+C	 3.1726271636	 0.7492583982	-1.1218168522	-0.474149
+C	 4.6658818069	-1.2196915836	-1.1060647854	 0.307567
+C	 5.626187084	-1.6907691501	-1.6553315049	-0.432417
+H	 2.3600266129	-3.3132638767	 1.2702350108	 0.122315
+H	 2.1496399099	-3.4474201768	-0.4885154249	 0.118659
+H	 3.765860753	-3.2124173244	 0.1901073879	 0.148173
+H	 0.7025937379	-1.3686138367	 1.3466556005	 0.097053
+H	 1.0177337444	 0.0952648978	 0.4211687409	 0.121489
+H	 0.0690078328	-2.3458830784	-0.5960128147	 0.289984
+H	 2.3507080925	 1.2419041202	-0.6032214329	 0.131356
+H	 4.0471843805	 1.4046502219	-1.0789849608	 0.137038
+H	 2.8993272351	 0.6142741614	-2.1722149602	 0.14025
+H	 6.4751345081	-2.1178867696	-2.129700644	 0.198149
+19
+0 4870	2.3132168	1.3324629	0.995069	2.7688	78.54	-0.23036	0.03432	0.26468	1249.6946	0.152537	-422.510562	-422.500244	-422.4993	-422.545218	38.433
+C	 2.2177898005	-1.0924299517	 1.3090641375	-0.389963
+C	 1.7577437772	-0.2757944869	 0.0963596485	-0.226368
+C	 2.0794071156	-0.9521008972	-1.2173166238	 0.303127
+O	 1.3702794206	-2.1553689816	-1.4239401922	-0.476014
+C	 3.4431630737	-0.8317777103	-1.8485970186	-0.409309
+C	 2.2366222161	-0.1689373646	-2.52017395	 0.191324
+O	 1.7319785684	-0.7829070417	-3.6674828701	-0.464652
+C	 2.1318600626	 1.265033175	-2.5279987452	 0.330162
+C	 2.057590813	 2.4652750135	-2.5379082841	-0.461953
+H	 1.7399791744	-2.0772670959	 1.3197390206	 0.11654
+H	 3.303165665	-1.241393094	 1.3004991475	 0.115349
+H	 1.9566652073	-0.5865118139	 2.2428015346	 0.118609
+H	 0.6737503928	-0.1171750471	 0.1431357166	 0.112292
+H	 2.2200732662	 0.7156791951	 0.1049534349	 0.114383
+H	 1.9484715379	-2.8963336307	-1.2169722614	 0.295747
+H	 4.1788827925	-0.201569957	-1.3612185228	 0.126912
+H	 3.8391984068	-1.68866309	-2.3844106864	 0.117923
+H	 1.2210545923	-1.5413656697	-3.3464759898	 0.291443
+H	 1.9839284071	 3.5243577486	-2.5544598155	 0.194449
+19
+0 4871	2.4724985	1.3124747	1.152408	1.0955	79.26	-0.22867	0.03119	0.25986000000000004	1174.127	0.152035	-422.493285	-422.482792	-422.481848	-422.528006	38.389
+C	 1.3699751104	-0.0866869783	-0.1494909017	-0.253482
+O	-0.034665545	 0.1000153354	-0.0449979165	-0.272997
+C	-0.4623700169	 0.7320391805	 1.1184481326	 0.39362
+C	-0.1035745231	 2.1968234743	 1.242688077	-0.465115
+C	-1.7959237443	 0.2435648723	 1.6008141746	-0.402108
+C	-0.5372575675	-0.1491223882	 2.3765686288	 0.123004
+O	-0.0570550871	-1.4547565946	 2.2044359716	-0.440982
+C	-0.3046124075	 0.4169375931	 3.6790780517	 0.319233
+C	-0.1151137952	 0.8552328252	 4.7841107592	-0.48513
+H	 1.7636331098	-0.6332962795	 0.7140028509	 0.13413
+H	 1.533531165	-0.6773882635	-1.0536755536	 0.125841
+H	 1.9066166463	 0.8659018666	-0.2545679163	 0.105662
+H	-0.5279361913	 2.6263535017	 2.1518989151	 0.131925
+H	 0.9796419902	 2.3464428576	 1.2833008648	 0.124963
+H	-0.4959554673	 2.7427737037	 0.3787572257	 0.12587
+H	-2.4855318479	 0.9479009622	 2.051802999	 0.120635
+H	-2.2374408765	-0.5600013442	 1.0224407793	 0.13016
+H	-0.5611869211	-2.031525067	 2.7893405096	 0.289079
+H	 0.0633157089	 1.2478830326	 5.7544398083	 0.195693
+19
+0 4872	4.5092204	0.7271199	0.6890574	1.6533	83.1	-0.22694	0.04889	0.27583	1660.4356	0.15407	-422.514252	-422.503712	-422.502768	-422.551406	37.037
+C	 1.6148273235	 0.0367005065	-0.1094235209	-0.499486
+C	 0.1629072771	 0.064403331	-0.0136403316	 0.096978
+C	-1.0384114633	 0.0749384502	 0.07101237	 0.090361
+C	-2.4696462286	 0.1043370989	 0.1454725417	-0.291644
+C	-3.1868774597	 0.0720246882	 1.5010309189	-0.362413
+C	-3.2548134588	-1.1146672662	 0.5690451763	 0.410577
+O	-2.5132951208	-2.2482040176	 0.8943010691	-0.463229
+C	-4.5522993423	-1.4500589453	-0.128466335	-0.137096
+O	-5.317647346	-2.3535363223	 0.6679019477	-0.421535
+H	 2.081225763	 0.6683365796	 0.6552347464	 0.143825
+H	 2.0010083469	-0.9805506455	 0.0202272648	 0.149556
+H	 1.9554059959	 0.3965528881	-1.0868897006	 0.145085
+H	-2.9518124472	 0.7162115314	-0.6139924139	 0.107707
+H	-2.5518703405	-0.038217756	 2.371497348	 0.13064
+H	-4.0503414451	 0.7181490166	 1.6261137942	 0.106252
+H	-3.1580995394	-2.8882583869	 1.2243860104	 0.286289
+H	-5.1174083832	-0.5389157239	-0.369947466	 0.093043
+H	-4.3465914058	-1.9860634262	-1.0603490594	 0.126535
+H	-5.5966729561	-1.8769939407	 1.4580064201	 0.288555
+19
+0 4873	2.6953934	0.9919364	0.8093771	2.0835	81.81	-0.25147	0.02173	0.2732	1451.678	0.153276	-422.513709	-422.502954	-422.50201	-422.55126	37.029
+C	 1.5126984926	-0.1770558978	-0.1198750655	-0.502807
+C	 0.0579360444	-0.1369067388	-0.1343701007	 0.130366
+C	-1.1468901135	-0.0890283319	-0.1325010364	 0.05398
+C	-2.5845614841	-0.0278891948	-0.1822681908	-0.231226
+O	-3.3185892367	-0.0580425287	 1.0582524406	-0.285436
+C	-3.4476539224	-1.1797729923	 0.1786393384	 0.379526
+C	-4.7880797698	-1.3560254095	-0.4920562727	-0.464405
+C	-2.7707792705	-2.4544610379	 0.6598913848	-0.138997
+O	-2.3148780518	-3.2403108249	-0.4303198629	-0.419572
+H	 1.8812340448	-0.9708273768	 0.538623989	 0.155978
+H	 1.9129136734	-0.3630952148	-1.1225015574	 0.153928
+H	 1.9304126839	 0.7716713862	 0.2340929012	 0.157472
+H	-2.987230593	 0.6827911587	-0.9041440077	 0.110021
+H	-5.5258428588	-1.7191383472	 0.2319630339	 0.128125
+H	-5.1537646005	-0.4155822571	-0.9112035999	 0.123105
+H	-4.7036779071	-2.0983682692	-1.2911484691	 0.140989
+H	-1.9608748064	-2.1879400167	 1.3495348944	 0.111059
+H	-3.490482613	-3.0747542995	 1.2050310744	 0.109183
+H	-1.5865778814	-2.7547965269	-0.8344719834	 0.288709
+19
+0 4874	3.7239332	0.7924893	0.762932	2.0547	78.13	-0.25683	0.04638	0.30321	1551.5371	0.152835	-422.504846	-422.494308	-422.493364	-422.541022	37.318
+C	 5.2548857425	 0.5799222764	 1.2990925317	-0.48157
+C	 4.3920355041	 1.5459857323	 0.5189705925	 0.375325
+C	 5.1609033578	 2.6080930723	-0.2563233414	-0.146697
+O	 6.0230792918	 2.0535178083	-1.2393797755	-0.412804
+O	 3.2452705408	 2.0806681578	 1.2031141153	-0.290404
+C	 3.0240351634	 1.2279301074	 0.0754035504	 0.018637
+C	 2.318769676	-0.0963291617	 0.3240812069	-0.391317
+C	 0.8666619759	 0.0479765768	 0.3476300698	 0.299656
+C	-0.3267375051	 0.185959923	 0.353273084	-0.436409
+H	 4.66192153	-0.1218906987	 1.8865736439	 0.133207
+H	 5.8945908773	 0.0068418417	 0.6198451317	 0.125513
+H	 5.9005748853	 1.1306436004	 1.9931228624	 0.124429
+H	 4.4497300486	 3.2509245035	-0.7826755463	 0.121367
+H	 5.712302878	 3.2422220112	 0.4547228709	 0.096859
+H	 6.82679436	 1.7572031223	-0.8031221301	 0.289685
+H	 2.6551164566	 1.751403094	-0.8081976939	 0.100191
+H	 2.6045819304	-0.7979075321	-0.4714137906	 0.138915
+H	 2.6606421026	-0.5296730137	 1.2686282904	 0.137522
+H	-1.3818037959	 0.3036289288	 0.3690360079	 0.197896
+19
+0 4875	3.7897965	0.8020158	0.7930268	2.7732	78.48	-0.24078	0.05562	0.2964	1510.412	0.153993	-422.509628	-422.499531	-422.498587	-422.544893	37.021
+O	 5.9944507929	 1.7207776744	 1.7165815092	-0.434184
+C	 5.1749632372	 2.6618267626	 1.0210616132	-0.150977
+C	 4.288295974	 1.8576199858	 0.1071951381	 0.419612
+O	 5.021440588	 1.0468471294	-0.7698047192	-0.469875
+C	 3.0259113052	 2.4373959914	-0.4462213612	-0.341298
+C	 2.9503870693	 1.3517637801	 0.6103245988	-0.060501
+C	 2.4815225933	-0.0445706459	 0.2332682216	-0.389113
+C	 1.0290925895	-0.1543438543	 0.1358147999	 0.311389
+C	-0.1687334516	-0.227729292	 0.0654608534	-0.454619
+H	 6.7627643958	 2.1817178109	 2.0642984938	 0.294289
+H	 4.5695894518	 3.2596562632	 1.7176846321	 0.092151
+H	 5.7922427289	 3.3469700438	 0.4218804219	 0.098869
+H	 5.6825223036	 0.6099578791	-0.2161511346	 0.288636
+H	 2.7470149737	 3.4515151058	-0.1801036857	 0.110441
+H	 2.7822676383	 2.1545926316	-1.4648358268	 0.128806
+H	 2.6570146267	 1.6717849599	 1.606098423	 0.092616
+H	 2.9459319183	-0.3282410089	-0.7175710893	 0.144378
+H	 2.8495205285	-0.7649856593	 0.9760331111	 0.128698
+H	-1.2254313331	-0.3013038674	-0.0032869394	 0.190681
+19
+0 4876	2.4668508	1.5283409	1.2450336	4.2502	77.07	-0.24596	-0.0563	0.18966	1081.7733	0.157015	-422.599586	-422.590837	-422.589893	-422.632766	33.062
+C	-0.6164029023	 2.0925901604	-1.2063860451	-0.422013
+C	-0.9440261036	 1.2874713568	 0.0628700164	 0.135865
+C	-0.7512202364	 2.1617125587	 1.3249026165	-0.080757
+O	 0.5394566104	 2.7147107907	 1.4145290521	-0.42836
+C	-2.3483712202	 0.6411201374	 0.0036073154	-0.334297
+C	-2.0888920507	-0.8408413132	-0.0748762481	-0.046117
+C	-0.7889294011	-1.1531168559	 0.0043438004	-0.169562
+C	 0.0065722112	 0.0775650983	 0.1622697732	 0.378468
+O	 1.2036262314	 0.1566552107	 0.371987789	-0.375558
+H	-0.7217718078	 1.4758821599	-2.1049656425	 0.113527
+H	-1.2950405964	 2.9474794314	-1.2968532845	 0.116203
+H	 0.4057783202	 2.4718543996	-1.1594477871	 0.144671
+H	-1.4580742929	 3.0001448183	 1.2944066506	 0.102313
+H	-0.9995638838	 1.5585193122	 2.2162284346	 0.081553
+H	 1.1617545854	 1.9875961234	 1.2590142356	 0.297284
+H	-2.9503273889	 0.8741692481	 0.8929245744	 0.123452
+H	-2.9327078321	 0.9903591861	-0.8557977826	 0.121735
+H	-2.8972415324	-1.5584869494	-0.1713299817	 0.120562
+H	-0.3473101402	-2.1410791235	-0.0076764766	 0.121031
+19
+0 4877	2.3381192	1.5282759	1.2958188	2.925	76.91	-0.24271	-0.05488	0.18783	1088.6066	0.156355	-422.59937	-422.590413	-422.589469	-422.632807	33.689
+C	 1.1796588983	-0.2313288901	 1.1202840633	-0.403633
+C	 0.8259651456	 0.1254669673	-0.3250939791	-0.209986
+C	 1.7720552816	-0.4875704899	-1.3866728581	 0.308471
+O	 3.1168329862	-0.1217189831	-1.1381066006	-0.484198
+C	 1.3239295698	-0.0954182795	-2.8114957853	-0.319618
+C	 0.6516914373	-1.3380099599	-3.3405755093	-0.049856
+C	 0.8177928414	-2.4089091494	-2.5511112032	-0.169723
+C	 1.6530242532	-2.0290106295	-1.398707559	 0.33377
+O	 2.2328627418	-2.7454612569	-0.6097479775	-0.362553
+H	 1.1358422838	-1.3088878651	 1.2976275978	 0.136116
+H	 2.1899970137	 0.1103549925	 1.3622508337	 0.123376
+H	 0.4872058629	 0.2568595328	 1.812421645	 0.110832
+H	-0.2040427091	-0.1770830113	-0.5537195162	 0.096392
+H	 0.8720103473	 1.2135919654	-0.454726135	 0.105604
+H	 3.4805394468	-0.823868097	-0.5800202014	 0.290091
+H	 0.6572757878	 0.773479838	-2.833672862	 0.114205
+H	 2.2031039735	 0.1586449946	-3.4148399496	 0.139845
+H	 0.1124247028	-1.3396691027	-4.2823646514	 0.119935
+H	 0.4734875954	-3.4187198163	-2.7323505722	 0.120931
+19
+0 4878	2.3918705	1.5147454	1.2286978	4.0692	77.63	-0.2356	-0.04799	0.18761	1111.0233	0.155446	-422.577225	-422.568029	-422.567085	-422.611308	33.7
+C	 1.4372863195	-0.1728894932	-0.0575771858	-0.244167
+O	 0.0485399525	 0.0434976807	 0.0682429686	-0.279253
+C	-0.3861607853	 0.7413393762	 1.2269392346	 0.283072
+C	 0.0490076572	 0.0705763843	 2.5329831106	-0.451216
+C	-0.0525844227	 2.2572575576	 1.1710637211	-0.319864
+C	-1.3951733282	 2.9419013011	 1.14623825	-0.052038
+C	-2.4293437794	 2.0932387199	 1.1250365079	-0.180782
+C	-1.9453558389	 0.6997896186	 1.14968891	 0.371561
+O	-2.598354586	-0.3147163294	 1.1416680702	-0.336374
+H	 1.8229311062	-0.8816482689	 0.6874295142	 0.113969
+H	 1.5940403207	-0.5980906078	-1.0519436664	 0.132129
+H	 2.0180768605	 0.75902469	 0.0168112643	 0.10033
+H	-0.2953851352	-0.9668080869	 2.5389312795	 0.146139
+H	 1.1345348433	 0.0953106339	 2.663195461	 0.115303
+H	-0.3995035985	 0.586753709	 3.3879474291	 0.122215
+H	 0.5509206307	 2.5992250303	 2.0205806283	 0.1142
+H	 0.5166126963	 2.4959429748	 0.265209016	 0.128688
+H	-1.4797522593	 4.0239868743	 1.1452947374	 0.116709
+H	-3.4817665631	 2.3441938755	 1.0970218494	 0.119379
+19
+0 4879	2.2085139	1.3027278	1.1052649	2.7691	77.27	-0.2493	0.0176	0.26689999999999997	1203.9667	0.154185	-422.501268	-422.491374	-422.49043	-422.535989	35.946
+C	 2.641352689	-3.0769479782	 0.3798254856	-0.486774
+C	 2.5936933517	-1.5595933112	 0.4941364423	 0.247014
+C	 1.1591211913	-1.0202833608	 0.5127546125	-0.129155
+O	 0.4857584359	-1.2482892526	-0.7171141505	-0.423617
+C	 3.4930406352	-0.7445007627	-0.4627198983	-0.105545
+O	 4.0892033929	-0.0218909671	 0.6388133596	-0.286242
+C	 3.4994679709	-0.9248058853	 1.6032669793	-0.093557
+C	 2.8926113377	-0.2616169047	 2.7445639844	 0.325139
+C	 2.3952837282	 0.2693691461	 3.7018460375	-0.437614
+H	 2.1302422078	-3.5534380643	 1.2246626672	 0.122882
+H	 2.1588757289	-3.4159031718	-0.5437339522	 0.117055
+H	 3.6721257798	-3.4438261965	 0.3598380073	 0.124947
+H	 0.6064570132	-1.4467086476	 1.3626245625	 0.096184
+H	 1.1785618092	 0.0645224359	 0.6498119971	 0.128339
+H	 0.23687838	-2.1761269671	-0.7578439773	 0.286651
+H	 4.2383078646	-1.3407831398	-1.0061291639	 0.09364
+H	 2.9774596202	-0.0815227176	-1.1639614141	 0.122526
+H	 4.2505077412	-1.6437783671	 1.9643910536	 0.095906
+H	 1.9578328823	 0.7462689423	 4.5442045174	 0.202221
+19
+0 4880	2.3175298	1.2846269	1.1236109	2.0805	77.15	-0.25006	0.03273	0.28279	1192.7169	0.154518	-422.511241	-422.501572	-422.500628	-422.545591	35.673
+C	 2.6411676735	-3.0173590011	 0.7673124302	-0.447824
+C	 2.6171287698	-1.6098375261	 0.2050456938	 0.399373
+C	 1.2414157585	-0.9484902522	 0.328557079	-0.103779
+O	 0.3109677323	-1.6234239675	-0.4954249759	-0.423093
+O	 2.988901971	-1.5937822022	-1.2108706979	-0.333078
+C	 3.9733403595	-0.5652004536	-0.9944738716	-0.085467
+C	 3.841513389	-0.6943302746	 0.5455269691	-0.305602
+C	 3.654123665	 0.5021472774	 1.3377450133	 0.336487
+C	 3.5055264785	 1.500407417	 1.9917886051	-0.458542
+H	 2.5271077718	-2.9900813258	 1.8564736413	 0.122902
+H	 1.8136571385	-3.596493018	 0.3494315776	 0.142895
+H	 3.5831796852	-3.5158532599	 0.5240678416	 0.117831
+H	 0.8722806895	-1.0091536262	 1.3572573254	 0.112484
+H	 1.3169404261	 0.1162957055	 0.0643955231	 0.093591
+H	 0.7204348484	-1.6570577494	-1.3700332649	 0.290502
+H	 4.9453879114	-0.8308416902	-1.4213722136	 0.1148
+H	 3.6552615591	 0.4080850972	-1.3853807596	 0.112869
+H	 4.6554088223	-1.2948194519	 0.9623073481	 0.111994
+H	 3.3725148806	 2.3805850016	 2.5710070957	 0.201656
+19
+0 4881	3.0319595	1.1493022	0.9958622	2.8142	77.86	-0.25226	0.02357	0.27582999999999996	1262.2715	0.15346	-422.502926	-422.492873	-422.491929	-422.538006	36.287
+C	 1.4186737648	 0.4675363628	 1.2264142597	-0.416245
+C	 1.5567941526	 0.6663041556	-0.2870139135	-0.229274
+C	 2.0159842219	-0.5852259316	-1.0382595968	 0.356269
+O	 3.2828186639	-1.0313185256	-0.6313409981	-0.465248
+C	 0.9206918244	-1.6670233957	-1.2311637898	-0.126641
+O	 0.7238592983	-1.2718960955	-2.6044701888	-0.274055
+C	 1.9044141447	-0.4283178588	-2.5905701139	-0.170982
+C	 2.9989035555	-0.9456583591	-3.392852569	 0.394319
+C	 3.8923877428	-1.3589901696	-4.0818170554	-0.449662
+H	 0.7222061896	-0.3432439266	 1.4667728955	 0.125267
+H	 2.3807708493	 0.2400188698	 1.7004293376	 0.114176
+H	 1.0427708282	 1.3770593851	 1.7030058005	 0.129083
+H	 0.5938513613	 0.9830096703	-0.7043944858	 0.115083
+H	 2.2742850922	 1.4700491474	-0.4930038604	 0.110947
+H	 3.2890318645	-1.0992248982	 0.3288866985	 0.282936
+H	 1.3152889367	-2.6871160706	-1.1487209504	 0.107701
+H	-0.0001552265	-1.5727250945	-0.6443550189	 0.097406
+H	 1.6538331945	 0.5892440304	-2.9168911264	 0.101101
+H	 4.6862111211	-1.7298702656	-4.6818928647	 0.197819
+19
+0 4882	2.0152034	1.6966579	1.1318355	2.2872	77.47	-0.25003	0.0204	0.27042999999999995	1144.3209	0.153645	-422.488012	-422.478215	-422.477271	-422.522488	35.638
+C	 1.4754925845	-0.4060056352	 0.0977252139	-0.257268
+O	 0.0795137917	-0.1780394171	 0.1818255422	-0.273961
+C	-0.3595558757	 0.6182577946	 1.2461315319	 0.371321
+C	 0.0669839843	 0.1155683954	 2.6212993966	-0.465524
+C	-1.8633225536	 0.9176892368	 1.1183937159	-0.119306
+O	-1.6411358933	 2.3386683106	 1.2407250167	-0.27332
+C	-0.2068753119	 2.1869130932	 1.0967915717	-0.172994
+C	 0.3003948082	 2.6869159738	-0.1695435208	 0.368956
+C	 0.7215818914	 3.1184938158	-1.2097919283	-0.442766
+H	 1.8395318255	-1.0571148853	 0.9035412299	 0.110363
+H	 1.6487398551	-0.9049025085	-0.8582258205	 0.131875
+H	 2.0429849702	 0.5330358749	 0.1099131812	 0.11866
+H	-0.2278089159	-0.931019718	 2.7477495469	 0.127936
+H	 1.148544204	 0.1924407397	 2.7668519713	 0.124229
+H	-0.4176388935	 0.7091488377	 3.4015473167	 0.13474
+H	-2.2583167427	 0.6432763026	 0.1337131016	 0.116123
+H	-2.5174347392	 0.5341545459	 1.9084600062	 0.102887
+H	 0.3158370878	 2.673720765	 1.9295170245	 0.097867
+H	 1.0881595531	 3.4977080681	-2.1317082975	 0.200181
+19
+0 4883	2.3144725	1.3346281	1.1260079	2.3983	77.39	-0.25083	0.04935	0.30018	1178.7704	0.154655	-422.516375	-422.506769	-422.505825	-422.550532	36.067
+O	 1.3362409934	 0.5312488416	-0.065374727	-0.421429
+C	 0.2769818346	-0.2480453727	 0.4428975959	-0.093072
+C	-0.8220265955	 0.6358782788	 1.0321750669	 0.368537
+O	-0.2498920264	 1.4755480722	 2.0191368458	-0.468867
+C	-2.12470288	-0.1270029915	 1.3770535919	-0.292113
+C	-2.7253780752	 0.3480071006	 0.0274195984	-0.224457
+C	-1.5918376189	 1.4288198961	-0.0822109235	-0.261162
+C	-2.0150883922	 2.7668417304	 0.2770246499	 0.361721
+C	-2.3957825446	 3.8729887682	 0.5546822175	-0.470642
+H	 1.4818690919	 1.2269366259	 0.5894503322	 0.287394
+H	-0.1073637785	-0.8578119815	-0.3820940226	 0.10718
+H	 0.6219813691	-0.9443716453	 1.2302287795	 0.071534
+H	-0.0230155031	 0.9278871542	 2.7801044895	 0.282386
+H	-2.0410601108	-1.2037939855	 1.5502483692	 0.097055
+H	-2.6258402833	 0.3388128884	 2.2290078396	 0.118409
+H	-2.6479348917	-0.4017182684	-0.7626829421	 0.110413
+H	-3.7429407011	 0.7365503763	 0.0522021805	 0.118707
+H	-1.052200124	 1.4522080305	-1.0330583391	 0.116314
+H	-2.7144185238	 4.8536864914	 0.8070048576	 0.19209
+19
+0 4884	2.4067604	1.6220244	1.1785399	3.3231	75.31	-0.24196	-0.02129	0.22067	1083.7913	0.154781	-422.493357	-422.484464	-422.48352	-422.52754	32.599
+C	 2.7850677502	 0.906531109	 0.0943403938	-0.382532
+C	 1.5166118715	 0.0564067406	-0.0562803592	-0.295943
+C	 1.5285835052	-0.8417607762	-1.2986734771	 0.268263
+C	 1.2722731543	-0.0411957157	-2.5699804043	 0.114025
+O	 2.0359609175	 0.785853188	-3.0011891596	-0.260871
+C	 0.8375330363	-2.241208192	-1.3286822879	-0.016672
+C	 1.950014423	-2.8390422013	-0.4357179265	-0.241959
+C	 2.5984952277	-1.9563949569	-1.5227019019	 0.024118
+O	 1.6673809176	-2.5653933606	-2.5149486188	-0.316428
+H	 2.7010623294	 1.574297854	 0.9569001937	 0.112982
+H	 3.6651603907	 0.2725713203	 0.2473148946	 0.114664
+H	 2.9602512304	 1.5093069518	-0.7991244348	 0.15402
+H	 1.3684401838	-0.551621845	 0.8419264582	 0.103844
+H	 0.6390820014	 0.7139950015	-0.115963013	 0.106121
+H	 0.2958825251	-0.2302269777	-3.0679428151	 0.084232
+H	-0.2238710602	-2.488701795	-1.3800252354	 0.098478
+H	 2.020351553	-2.5340695557	 0.6091384342	 0.106416
+H	 2.106529472	-3.9092372254	-0.5729099601	 0.117301
+H	 3.6424210311	-1.8514816936	-1.8155731307	 0.109941
+19
+0 4885	2.1510822	1.8905582	1.2224778	1.7666	76.07	-0.24245	-0.03357	0.20888	1065.6708	0.155754	-422.499819	-422.491195	-422.490251	-422.533253	31.923
+C	 1.4218632953	 0.1280500993	-0.1229278186	-0.261782
+O	 0.0116783547	 0.0346292645	-0.0059476062	-0.303824
+C	-0.4999739449	 0.5373814642	 1.2078908042	 0.384454
+C	-0.1584254867	-0.4703525083	 2.2936518871	 0.08005
+O	 0.1837147883	-0.2247311615	 3.4226062799	-0.251843
+C	-1.9779837353	 1.0460876225	 1.1019777661	-0.113628
+C	-1.7079795623	 1.8906596565	 2.3800023299	-0.239905
+C	-0.4404421939	 2.0750468283	 1.4927449089	-0.110872
+C	-1.4164313634	 2.2505209066	 0.28626826	-0.234951
+H	 1.9431341304	-0.3927055567	 0.6933579361	 0.119593
+H	 1.6930728462	-0.344080078	-1.0695798762	 0.133445
+H	 1.7575080542	 1.1739638245	-0.1349244443	 0.117929
+H	-0.2301027547	-1.5186571205	 1.9228169665	 0.087635
+H	-2.8485801989	 0.4306521233	 0.8731890128	 0.081734
+H	-2.3329708397	 2.780196019	 2.4801296334	 0.097259
+H	-1.5881801979	 1.3733130164	 3.329264562	 0.126272
+H	 0.4470331567	 2.661552215	 1.7295895961	 0.08089
+H	-2.0289327556	 3.1549969393	 0.3042337192	 0.094391
+H	-1.0307029825	 2.0343125657	-0.707954717	 0.113152
+19
+0 4886	2.0704678	1.7982706	1.1581196	3.1152	75.66	-0.23849	-0.024	0.21449000000000001	1095.5763	0.156684	-422.506719	-422.498202	-422.497258	-422.540024	32.054
+O	 0.5202450981	 1.1117899875	 0.7182949044	-0.414896
+C	-0.0929199867	-0.0539221152	 0.1831327037	-0.17593
+C	-1.1794797631	-0.6128157621	 1.120273015	 0.253224
+C	-2.3376428583	 0.3618081145	 1.057685392	 0.080591
+O	-3.4967147084	 0.0706747988	 0.8864183132	-0.26171
+C	-1.4979513118	-2.1473125081	 1.1626894212	-0.092193
+C	-0.1172217999	-2.3736367995	 1.853694608	-0.24131
+C	-0.7377267759	-1.1308967894	 2.5545838199	-0.102033
+C	-2.0670023846	-1.9375086362	 2.6014218151	-0.228174
+H	 0.9871059537	 0.8551097075	 1.5201479169	 0.28798
+H	-0.5491634185	 0.2661064242	-0.7606491359	 0.12216
+H	 0.6508649837	-0.8161854918	-0.074940973	 0.105761
+H	-2.0214174849	 1.4248947901	 1.1362437005	 0.095396
+H	-1.9434362806	-2.7345686847	 0.3599654152	 0.084428
+H	-0.0458210248	-3.2692864503	 2.4753670732	 0.099573
+H	 0.7918413091	-2.2456640838	 1.2665702242	 0.093651
+H	-0.301377065	-0.5298199189	 3.3553540908	 0.074434
+H	-2.0515706318	-2.8190638651	 3.2464607635	 0.092124
+H	-3.0008469902	-1.3890754276	 2.694012912	 0.126923
+19
+0 4887	2.0283265	1.7116911	1.118301	2.1477	76.47	-0.24218	-0.02681	0.21537	1139.234	0.155148	-422.521919	-422.512915	-422.511971	-422.555981	32.766
+C	 1.1740114057	 1.056776695	 0.3870304145	-0.379301
+C	 0.773589699	-0.3965398943	 0.1010009081	-0.29088
+C	 1.39861781	-0.9407048855	-1.1716610919	 0.191925
+C	 0.8326611239	-0.4356340375	-2.4513108394	 0.092722
+O	 1.1911193793	-0.7870988804	-3.5532414683	-0.280571
+C	 1.966417949	-2.3630829527	-1.3337040115	-0.170319
+C	 2.6695982235	-2.7963227363	-0.0546963175	-0.123875
+O	 3.4603269097	-1.5720057226	-0.039110193	-0.287887
+C	 2.9018305173	-1.2016557755	-1.2928838166	 0.093687
+H	 0.6808176811	 1.42742097	 1.2906567317	 0.11584
+H	 2.2553473588	 1.1321364155	 0.5346047461	 0.136303
+H	 0.8993899412	 1.7237933176	-0.4371928422	 0.116199
+H	 1.059005015	-1.0163176724	 0.9539264629	 0.115656
+H	-0.3181068299	-0.4776283212	 0.0192309722	 0.101051
+H	 0.0278699479	 0.323539709	-2.3305375823	 0.076866
+H	 1.6698458353	-2.9840893103	-2.1668440799	 0.124864
+H	 2.0821192512	-2.9311234681	 0.8595233173	 0.115657
+H	 3.3215000322	-3.6625838244	-0.2085061599	 0.124217
+H	 3.5307441296	-0.7312388259	-2.0385323303	 0.127848
+19
+0 4888	2.7652594	1.3694042	1.113706	3.2222	76.97	-0.2346	-0.02358	0.21102	1157.0313	0.155458	-422.513154	-422.504279	-422.503335	-422.546548	32.816
+C	 1.3892145461	-0.1126838423	-0.037596057	-0.25676
+O	-0.0209235191	-0.1022385927	 0.1572186273	-0.287292
+C	-0.4496614076	 0.4313429725	 1.3668703744	 0.328342
+C	-0.1356200813	-0.3642003152	 2.5831424024	 0.090161
+O	 0.4922222122	-1.3969202415	 2.5748120848	-0.274734
+C	-1.7818083844	 1.1409963071	 1.1748717397	-0.095666
+C	-2.370453212	 1.7041349048	 2.4736764569	-0.256713
+C	-1.0668016036	 2.552906251	 2.6687521742	-0.251364
+C	-0.5184059443	 1.9626762498	 1.3629206876	-0.113169
+H	 1.8824392397	-0.7921211599	 0.6625741061	 0.143984
+H	 1.5532368047	-0.4600231961	-1.0600479325	 0.127421
+H	 1.8163399115	 0.8944290749	 0.0678179601	 0.100472
+H	-0.5207623811	 0.0546174966	 3.5354732486	 0.080118
+H	-2.3189082796	 0.9132573711	 0.2625699652	 0.11034
+H	-3.2385913449	 2.3372494705	 2.2797765687	 0.11667
+H	-2.6382865603	 0.9902537821	 3.2567827189	 0.110175
+H	-1.2636619017	 3.6234091654	 2.5800510057	 0.115614
+H	-0.4827864912	 2.3891327513	 3.5780605248	 0.108491
+H	 0.0709196069	 2.4851002107	 0.6192242741	 0.103908
+19
+0 4889	2.8350989	1.3394871	1.0889599	3.5536	76.82	-0.25348	-0.02863	0.22485	1153.3193	0.157045	-422.537594	-422.52909	-422.528146	-422.570671	32.163
+O	-1.4663686097	 0.4118005863	-0.4958333419	-0.427283
+C	-0.0739567252	 0.1694387531	-0.5373928971	-0.157134
+C	 0.5998331269	 0.4498836804	 0.7962842868	 0.214509
+C	 0.4665198456	 1.8569994555	 1.2452600801	 0.122568
+O	-0.1911324243	 2.6985174808	 0.6721941588	-0.298241
+C	 1.9051379574	-0.181524446	 1.2700271869	-0.112255
+C	 2.022001449	-1.6388514586	 0.7983285232	-0.246804
+C	 0.6804140375	-1.9616107881	 1.5334850636	-0.250467
+C	 0.6110549679	-0.500173925	 1.9936881708	-0.080157
+H	-1.5573742403	 1.3575975014	-0.3223572984	 0.296221
+H	 0.0516338417	-0.8747785908	-0.8299201322	 0.107196
+H	 0.4177199438	 0.7830092632	-1.3080997697	 0.096645
+H	 1.0155626898	 2.1098481579	 2.180991213	 0.080774
+H	 2.7347834143	 0.4416368034	 1.5848370942	 0.095381
+H	 2.0675971604	-1.8095358936	-0.2804596884	 0.111014
+H	 2.8708297245	-2.1448209307	 1.2626389967	 0.113916
+H	-0.1570113799	-2.3202438774	 0.9299619598	 0.121971
+H	 0.8257738903	-2.6486854895	 2.3693337858	 0.113767
+H	 0.2663152402	-0.1642663424	 2.964700588	 0.098379
+19
+0 4890	2.7469787	1.1642487	0.938901	1.6307	77.57	-0.25493	0.04285	0.29778	1298.5509	0.153239	-422.504458	-422.494203	-422.493259	-422.539906	36.938
+C	 5.2897822829	-3.0353930031	-0.7714124656	-0.427866
+C	 4.406888038	-2.0476066137	-0.0495046335	 0.031965
+O	 3.033718936	-2.4009574412	 0.1555703111	-0.28667
+C	 3.3237973654	-1.2713288865	-0.6808416059	 0.311959
+C	 3.0184593702	-1.4379633294	-2.1722279973	-0.120755
+O	 1.9777209092	-0.6098273509	-2.6480530094	-0.41668
+C	 2.9182292135	 0.0711282506	-0.0681726233	-0.415873
+C	 1.4733324043	 0.1880973885	 0.1180454308	 0.311674
+C	 0.2838358165	 0.2603903781	 0.2799801111	-0.453609
+H	 5.5526629127	-3.8612410568	-0.1023205905	 0.133711
+H	 4.8019279926	-3.4557796904	-1.6525403935	 0.131351
+H	 6.2212830415	-2.551701845	-1.0851190813	 0.125231
+H	 4.8726790262	-1.6017316382	 0.833193674	 0.085972
+H	 3.9014353274	-1.1574943612	-2.7588500281	 0.112802
+H	 2.8157602162	-2.5016486534	-2.3582646417	 0.106039
+H	 1.2006388621	-0.742157971	-2.0922654053	 0.291277
+H	 3.4120529772	 0.181137624	 0.9033212452	 0.133692
+H	 3.273213755	 0.8849361582	-0.7110514326	 0.144399
+H	-0.763663477	 0.3379539815	 0.4366240658	 0.201381
+19
+0 4891	2.8153678	1.1578149	0.9510308	1.1665	77.13	-0.23099	0.04617	0.27716	1274.4629	0.153269	-422.488817	-422.478705	-422.477761	-422.523941	36.891
+C	 1.4351474248	-0.2293662967	 0.0841775268	-0.267191
+O	 0.0204174818	-0.2289781387	 0.2446660648	-0.291126
+C	-0.449061105	 0.6130432257	 1.264952147	 0.391488
+C	-0.1009343382	 2.092137304	 1.1502649275	-0.455076
+C	-0.6002661989	 2.7126719256	-0.0729530778	 0.331419
+C	-1.0100728689	 3.2114477785	-1.0863232739	-0.455062
+C	-1.8003997187	 0.1966611099	 1.7893984871	-0.382004
+C	-0.5567500614	-0.0578499088	 2.6168125279	 0.076401
+O	-0.0589465495	-1.3506261932	 2.7703846447	-0.434163
+H	 1.9501206592	-0.4088474038	 1.0365098631	 0.12564
+H	 1.6671613331	-1.0408276594	-0.6093378417	 0.131412
+H	 1.793230088	 0.7118221162	-0.3512055368	 0.126537
+H	-0.518519694	 2.6061267427	 2.0243451074	 0.135289
+H	 0.985737121	 2.2301955262	 1.216904019	 0.132449
+H	-1.3757355594	 3.6527464823	-1.9801210013	 0.197352
+H	-2.4977350622	 0.9697294037	 2.093964854	 0.118419
+H	-2.2530702536	-0.6651864802	 1.3104411778	 0.124185
+H	-0.3988055226	 0.5256095778	 3.5184294212	 0.104052
+H	-0.0235211256	-1.7327180618	 1.8837978731	 0.289979
+19
+0 4892	2.1016615	1.3654284	0.9669218	1.612	77.25	-0.2557	0.04865	0.30435	1254.617	0.154105	-422.505592	-422.495502	-422.494558	-422.540684	37.086
+O	 2.7625970817	 0.9994497335	-2.517938188	-0.426871
+C	 2.5552537356	-0.3932698573	-2.3412550925	-0.142412
+C	 3.1195041419	-0.914009005	-1.0279491531	 0.308846
+C	 2.6966486615	-0.1360287502	 0.221732545	-0.431102
+C	 1.2987725205	 0.2885334353	 0.2037930962	 0.290001
+C	 0.1584631853	 0.6687896172	 0.1514379519	-0.455181
+C	 4.52148504	-1.4927492142	-1.0162387939	-0.373022
+C	 3.3190537721	-2.4005596025	-0.9163645246	 0.064453
+O	 3.0048338254	-3.0021133084	 0.306663436	-0.419635
+H	 2.0993187713	 1.4490038539	-1.9825036622	 0.289426
+H	 1.4857891118	-0.6396234231	-2.3985471784	 0.105754
+H	 3.0540175089	-0.8920013821	-3.1794836388	 0.098704
+H	 2.8806224973	-0.756680116	 1.1037609655	 0.150225
+H	 3.3296437993	 0.7547952553	 0.3132462836	 0.138655
+H	-0.8548446885	 0.9861909284	 0.1346780755	 0.198484
+H	 5.0990624872	-1.4762034731	-1.9347802226	 0.115088
+H	 5.1043216812	-1.3604847553	-0.1095710518	 0.111525
+H	 3.06137934	-2.9991927699	-1.7912995737	 0.086253
+H	 3.6609170376	-3.6852177065	 0.4791595962	 0.290808
+19
+0 4893	2.2547486	1.3686612	1.0303472	2.0279	76.66	-0.24899	0.04207	0.29106	1217.6939	0.154012	-422.485952	-422.476178	-422.475234	-422.521029	34.911
+C	 1.416877843	-0.1802089455	-0.0039700501	-0.26043
+O	 0.0138139859	-0.065774632	 0.1300807288	-0.275788
+C	-0.4344323157	 0.6791864446	 1.22865869	 0.36504
+C	 0.0087697667	 0.1158230862	 2.5941198202	-0.440053
+C	-0.3807141358	-1.2731346089	 2.7962357308	 0.317519
+C	-0.7088174591	-2.4185331368	 2.9525977476	-0.445088
+C	-1.9434280965	 0.9706993281	 1.1383465467	-0.120205
+O	-1.7155213384	 2.382962285	 1.3416146296	-0.275075
+C	-0.2966763602	 2.2254344012	 1.1451597906	-0.128821
+H	 1.8578709564	-0.8229339512	 0.769494201	 0.121688
+H	 1.6015888721	-0.6359007621	-0.979138717	 0.134613
+H	 1.9135311577	 0.8010957175	 0.0237375776	 0.107884
+H	 1.0954011334	 0.2214812571	 2.7030569034	 0.13009
+H	-0.435728617	 0.7481577304	 3.3721575102	 0.146783
+H	-0.9977210117	-3.4305883696	 3.0930686789	 0.198465
+H	-2.3464925152	 0.7522623076	 0.1424674317	 0.110748
+H	-2.5877905225	 0.5355463763	 1.9087110887	 0.112903
+H	 0.0263730712	 2.5693193973	 0.1536013143	 0.09972
+H	 0.2860794454	 2.7338062449	 1.922133767	 0.100005
+19
+0 4894	2.4932673	1.2894641	1.0366999	1.1195	76.71	-0.24112	0.04082	0.28194	1215.0996	0.154762	-422.505982	-422.496304	-422.49536	-422.540961	35.16
+O	 2.7625573597	-2.8725523267	 0.4738682716	-0.428062
+C	 2.6202465779	-2.3939824703	-0.8532115381	-0.128132
+C	 3.1620483193	-0.9727188875	-1.0369917287	 0.41333
+C	 2.658401113	-0.0063525747	 0.0545006734	-0.410383
+C	 1.235942494	-0.1215067817	 0.3547779877	 0.280765
+C	 0.070280276	-0.2607275899	 0.617431763	-0.437172
+C	 4.6767471615	-0.8406355649	-1.3304665424	-0.336799
+C	 4.225434096	-0.4193585952	-2.7415076281	-0.068524
+O	 2.8314345642	-0.5174097887	-2.3749621085	-0.317188
+H	 2.0312693369	-2.5074837888	 0.9842828462	 0.292678
+H	 3.1744771895	-3.0783382315	-1.5037701039	 0.104258
+H	 1.5736033121	-2.3960864174	-1.1834237816	 0.115225
+H	 3.2355655016	-0.2069123948	 0.9654617625	 0.143059
+H	 2.8971549786	 1.0157110992	-0.2596108195	 0.136499
+H	-0.964454983	-0.3553484632	 0.8373426789	 0.20114
+H	 5.1880237603	-0.0634146655	-0.7590468943	 0.108774
+H	 5.244848997	-1.7690577199	-1.2583980369	 0.118801
+H	 4.4962489136	 0.5970570388	-3.0501067778	 0.105042
+H	 4.4816787218	-1.1134183174	-3.5506811833	 0.106688
+19
+0 4895	2.1545276	1.3415693	1.001343	2.0928	76.34	-0.24681	0.04783	0.29464	1234.7431	0.154617	-422.500879	-422.491012	-422.490067	-422.536302	35.161
+O	 3.332544181	-0.8451078342	 2.808913967	-0.427914
+C	 2.7330456932	 0.4265877903	 2.5993282334	-0.143458
+C	 3.0704201699	 0.8643022126	 1.1812133116	 0.293057
+C	 2.4831200677	-0.0937466943	 0.1301484758	-0.428157
+C	 1.0246921335	-0.0718089409	 0.0989311791	 0.304753
+C	-0.1768995705	-0.0241937758	 0.0926915187	-0.456519
+C	 4.5656948029	 1.2232538593	 0.9999365542	-0.11985
+O	 4.2626945043	 2.6320970591	 0.9308010698	-0.275166
+C	 2.8441241338	 2.3742411009	 0.9385806014	-0.125156
+H	 3.0665282281	-1.1692949997	 3.6738390168	 0.292791
+H	 1.6403641913	 0.3822868497	 2.7196396332	 0.105359
+H	 3.1247307311	 1.172294102	 3.3084087732	 0.094181
+H	 2.8710366903	 0.1748132848	-0.860035547	 0.127991
+H	 2.8352535331	-1.1084750898	 0.3479288464	 0.151937
+H	-1.2381571956	 0.0037932864	 0.0730985588	 0.196622
+H	 5.2226321411	 0.9764403071	 1.8407366543	 0.11152
+H	 5.0198238493	 0.8545760875	 0.0701771905	 0.094157
+H	 2.3273397179	 2.9252976229	 1.7342285817	 0.100658
+H	 2.3716743174	 2.6148450221	-0.0225518591	 0.103195
+19
+0 4896	2.5938127	0.9692399	0.8170433	2.5001	79.54	-0.2474	0.04671	0.29411	1477.6732	0.153802	-422.506309	-422.495733	-422.494789	-422.54327	36.347
+C	 1.4348204296	-0.3093681711	-0.1144162651	-0.498534
+C	-0.0144122257	-0.1783919144	-0.0424354774	 0.047572
+C	-1.2153751516	-0.097321546	 0.0163187121	 0.070331
+C	-2.6671613491	 0.0377515149	 0.1169567988	-0.415855
+C	-3.1277444943	 1.4919647794	-0.0016808225	 0.351521
+C	-3.2173704362	 2.0550789598	-1.4122004703	-0.111711
+O	-2.1447813196	 1.6673343901	-2.247355434	-0.410149
+C	-2.9470180158	 2.3872069403	 1.149212713	-0.219726
+O	-4.2375990001	 1.8583490741	 0.8198778412	-0.273222
+H	 1.7878007759	-1.1374652482	 0.5100083803	 0.151837
+H	 1.7680070411	-0.5027339057	-1.1399140259	 0.15177
+H	 1.9366617473	 0.6009303236	 0.2319009989	 0.1469
+H	-3.1563672434	-0.5628193124	-0.6596471195	 0.138348
+H	-3.0169477349	-0.3428901808	 1.0834414901	 0.138607
+H	-4.1258331083	 1.6598635749	-1.8826854189	 0.119101
+H	-3.3307397858	 3.1486866898	-1.3559536814	 0.092067
+H	-1.3240927903	 1.7422611161	-1.7479674528	 0.286723
+H	-2.5054535108	 2.0015231487	 2.0670671183	 0.119277
+H	-2.8289288279	 3.457948227	 0.988307845	 0.115144
+19
+0 4897	2.1373815	1.3134659	0.9695864	3.4136	76.57	-0.24909	-0.03429	0.2148	1268.4311	0.153613	-422.576036	-422.566371	-422.565427	-422.61161	34.506
+C	 1.9729125387	-0.8878100991	 1.411899025	-0.398057
+C	 1.5151968714	-0.157803417	 0.1433823676	-0.251052
+C	 2.1236051273	-0.656668884	-1.18130932	 0.219205
+C	 1.4461403526	-0.0580417385	-2.451415665	-0.402982
+C	 0.8233259954	-1.4284875361	-2.7207543816	 0.418918
+O	-0.0188124992	-1.830073004	-3.4681537132	-0.285575
+C	 1.6329246341	-2.1007515553	-1.5960966677	-0.406743
+C	 3.6333113408	-0.5633386704	-1.2010170253	 0.103433
+O	 4.278341371	-0.0142313417	-2.05873448	-0.248357
+H	 1.8209918434	-1.969458906	 1.3325566892	 0.123498
+H	 3.0297319782	-0.7149892488	 1.6338481847	 0.126643
+H	 1.3990309025	-0.5378974734	 2.2749397338	 0.126559
+H	 0.4248167775	-0.2460859467	 0.0545142632	 0.110201
+H	 1.7222585782	 0.915470827	 0.2394686519	 0.114951
+H	 0.7440370618	 0.7667622221	-2.3041015295	 0.128896
+H	 2.1810603083	 0.2308325361	-3.2098461616	 0.158442
+H	 1.0433671484	-2.6509029484	-0.8575943545	 0.135232
+H	 2.4175129689	-2.7628178034	-1.9778838682	 0.139917
+H	 4.1434529606	-1.0802807621	-0.359009289	 0.086873
+19
+0 4898	2.289625	1.3271856	1.0363449	2.7153	77.87	-0.25361	0.02261	0.27622	1238.8232	0.154304	-422.510012	-422.500313	-422.499368	-422.544706	35.727
+C	 0.3202714686	 0.5138248142	-0.0049252528	-0.399264
+C	 1.0183421359	-0.7705991249	-0.3992316385	 0.165989
+C	 1.3282579971	-1.8016616471	 0.7069843132	-0.363801
+C	 2.8123790678	-1.6133392878	 0.2935286115	 0.167731
+C	 3.4188094631	-2.7751619931	-0.5073755152	-0.088292
+O	 4.4985469269	-2.3291892903	-1.2902397853	-0.415985
+O	 2.4376885578	-0.5644177782	-0.6549891975	-0.339287
+C	 3.7167031144	-1.120553828	 1.3222353186	 0.339012
+C	 4.4440525345	-0.7333603745	 2.1971602087	-0.450199
+H	 0.7903662221	 0.9524136342	 0.880191355	 0.129395
+H	 0.3726965566	 1.2425619558	-0.819807851	 0.129848
+H	-0.7357440867	 0.3216656826	 0.2149430603	 0.118163
+H	 0.5374457811	-1.2107482034	-1.2824455114	 0.080239
+H	 1.1034290355	-1.4579065848	 1.7167152217	 0.12295
+H	 0.9329683934	-2.8087318764	 0.5626775199	 0.114191
+H	 3.7946319516	-3.5503535904	 0.1678780895	 0.11612
+H	 2.6195342321	-3.2151894956	-1.1267275543	 0.080147
+H	 4.1772199546	-1.5461965055	-1.7564505906	 0.293519
+H	 5.0983829735	-0.3870347069	 2.9587699981	 0.199525
+19
+0 4899	2.6177289	1.3392778	1.0538065	2.1355	78.08	-0.25261	0.02985	0.28246	1186.7371	0.154251	-422.499494	-422.489962	-422.489017	-422.533398	35.81
+C	 1.2181713744	-0.2525639627	 0.1279165078	-0.259438
+O	-0.1710978291	-0.0882744947	 0.3639278174	-0.290593
+C	-0.5098229375	 0.7886240507	 1.4421701414	 0.2023
+C	-0.3405051354	 0.0714268923	 2.825265721	-0.295646
+C	-1.7924453557	-0.4701565773	 2.6676124376	 0.141414
+O	-1.873493046	-1.7726847492	 2.138808209	-0.441979
+C	-2.0490819127	 0.6600630628	 1.629861755	-0.282935
+C	 0.0565486222	 2.1204738331	 1.280137767	 0.27665
+C	 0.5140057685	 3.227069466	 1.1670685265	-0.444143
+H	 1.7397712465	-0.6653915492	 1.0023586194	 0.112294
+H	 1.3089931969	-0.9553471454	-0.702938052	 0.13137
+H	 1.6899791142	 0.6981881663	-0.14642164	 0.129622
+H	 0.4539994342	-0.6744045781	 2.8974612012	 0.110347
+H	-0.2442443476	 0.7906319839	 3.6419243416	 0.113664
+H	-2.4141952165	-0.4630888421	 3.5648166944	 0.083489
+H	-1.369472214	-1.7660850157	 1.314633556	 0.283995
+H	-2.6042558643	 0.3915399932	 0.7288892649	 0.117994
+H	-2.4725486279	 1.5597600082	 2.0804094465	 0.114969
+H	 0.9136185399	 4.205957568	 1.0647857354	 0.196624
+19
+0 4900	2.4387573	1.1665275	0.9346916	2.3539	77.89	-0.25192	0.04895	0.30086999999999997	1297.2854	0.154264	-422.512232	-422.502342	-422.501398	-422.54675	36.658
+O	 1.2105194662	 0.7216998134	 0.0555011966	-0.410891
+C	-0.0727274884	 0.1748615191	 0.2681578459	-0.103401
+C	-1.1933699151	 1.2304020153	 0.3373511324	 0.0718
+C	-1.1741645894	 2.0327515083	 1.688787796	-0.307746
+C	-2.2540135091	 1.0640782972	 2.2466612894	 0.139881
+O	-3.3800219616	 1.618369292	 2.8831670039	-0.428703
+C	-2.5464553457	 0.5912981224	 0.8098171643	-0.279944
+C	-1.2454766978	 2.0238466183	-0.8773813363	 0.284556
+C	-1.3167835462	 2.6831650779	-1.880619085	-0.441391
+H	 1.3904460672	 1.3514537331	 0.76126127	 0.283408
+H	-0.2597902775	-0.4914935921	-0.5798559826	 0.120158
+H	-0.1045082129	-0.4374992703	 1.184379091	 0.08383
+H	-0.2187383235	 2.1034135823	 2.2197631572	 0.084922
+H	-1.5901358115	 3.0335854647	 1.5608708538	 0.123702
+H	-1.8079452539	 0.2675978581	 2.8577741462	 0.070113
+H	-3.1327164645	 1.870848397	 3.7784962922	 0.28325
+H	-2.6744482316	-0.4799550299	 0.6358072715	 0.106385
+H	-3.4024164495	 1.1320864793	 0.4030682574	 0.129254
+H	-1.3680814952	 3.2635914038	-2.7681739241	 0.190816
+19
+0 4901	2.6119461	1.1599684	0.9086939	1.6008	78.71	-0.25893	0.02014	0.27907	1324.6754	0.153272	-422.502106	-422.491736	-422.490792	-422.537708	37.088
+C	 0.9767147006	-0.017236021	 0.8986595391	-0.387225
+C	 0.8306111645	 0.163516665	-0.6184535843	-0.26879
+C	 1.7106730782	-0.781246258	-1.4167121566	 0.391381
+C	 1.4183193413	-2.2713341608	-1.2905545529	-0.16559
+O	 0.0528845141	-2.5811017147	-1.5243492123	-0.411178
+O	 3.1093708293	-0.474767905	-1.3932331426	-0.285646
+C	 2.395504964	-0.2656901312	-2.6289613901	-0.230798
+C	 2.7529306842	-1.0891337104	-3.7520211784	 0.338733
+C	 3.0469071719	-1.7459481796	-4.7151119484	-0.411596
+H	 0.6434623928	-1.0063076364	 1.2317068824	 0.108254
+H	 2.0215416281	 0.1009901601	 1.2003802387	 0.139744
+H	 0.3805800606	 0.7259303743	 1.43561711	 0.12021
+H	-0.2101912288	 0.0110123121	-0.9268287502	 0.110086
+H	 1.0919884788	 1.192211137	-0.8864389267	 0.108936
+H	 1.9999780337	-2.8151346659	-2.0379433063	 0.134088
+H	 1.7509410111	-2.6152334773	-0.3008625864	 0.103807
+H	-0.4424742831	-2.3899248506	-0.7228244555	 0.289833
+H	 2.2446034634	 0.786363427	-2.8718206409	 0.112812
+H	 3.3055811854	-2.3328408847	-5.5617810285	 0.202936
+19
+0 4902	2.8603707	1.18183	0.9586926	1.3884	78.71	-0.23894	0.04124	0.28018	1260.1579	0.153812	-422.492923	-422.48281	-422.481866	-422.527747	36.763
+C	 1.3620028204	-0.176141933	-0.0077459507	-0.264674
+O	-0.0436287673	 0.0591652167	 0.0153789803	-0.290211
+C	-0.5134286609	 0.754220651	 1.1338483195	 0.388663
+C	-0.1179079571	 2.2167928598	 1.1475987993	-0.112921
+O	-0.5416763961	 2.8660772338	-0.0358078052	-0.421807
+C	-1.8756172436	 0.3494870591	 1.580267495	-0.334726
+C	-0.6697260529	 0.0118429447	 2.4618010302	-0.301078
+C	-0.2540792082	-1.3503779602	 2.6134052383	 0.335416
+C	 0.0931792881	-2.4917401043	 2.7708920206	-0.444754
+H	 1.6912621211	-0.6971508687	 0.8969233902	 0.135217
+H	 1.5508806327	-0.8097031367	-0.8768336704	 0.132209
+H	 1.9336382028	 0.7543521166	-0.1203815718	 0.113884
+H	-0.5958759974	 2.7252296699	 1.9911131462	 0.1067
+H	 0.9713134186	 2.3127732945	 1.2866283409	 0.091204
+H	-0.3865411601	 2.2415678863	-0.7547614287	 0.290592
+H	-2.5609937271	 1.1141120418	 1.9272470729	 0.126571
+H	-2.3264360483	-0.4838362235	 1.0554955979	 0.138609
+H	-0.5450112481	 0.6247265064	 3.3510494022	 0.11533
+H	 0.3967580234	-3.5006758343	 2.9011832831	 0.195777
+19
+0 4903	2.8351402	1.0809941	0.9075002	2.2197	78.79	-0.24816	0.03865	0.28681	1315.7249	0.155151	-422.509336	-422.499528	-422.498584	-422.543788	36.353
+O	 0.6051741455	-0.3252444036	 0.2246358449	-0.415177
+C	-0.7578109128	-0.4596069966	-0.1892265235	-0.143389
+C	-1.0835470243	 0.3958646036	-1.3977436567	 0.2733
+C	-0.8715148952	 1.8875037538	-1.1892441009	-0.131919
+O	 0.4955364338	 2.2262194712	-1.0403418622	-0.430673
+C	-0.811574382	-0.1809343553	-2.7607031317	-0.325323
+C	-2.2468321975	-0.0808547605	-2.2638145512	-0.266899
+C	-3.1710191396	 0.8402910535	-2.8585722882	 0.325621
+C	-3.9613554267	 1.5981957575	-3.3569031936	-0.442848
+H	 1.1585064828	-0.6296534778	-0.5040402508	 0.292435
+H	-1.0006452173	-1.5144491953	-0.386092822	 0.094974
+H	-1.3499545879	-0.139182734	 0.6747583319	 0.123803
+H	-1.2444418755	 2.4438036067	-2.053196306	 0.115895
+H	-1.4630274945	 2.2120672989	-0.31648052	 0.087052
+H	 0.8384925136	 1.656718508	-0.3388922105	 0.283768
+H	-0.5095325125	 0.5036815896	-3.5445585265	 0.137858
+H	-0.3897579053	-1.1782306803	-2.8422594597	 0.111421
+H	-2.6974299841	-1.0196578605	-1.9504624926	 0.112628
+H	-4.6550996905	 2.270763991	-3.7969743306	 0.197474
+19
+0 4904	1.9153136	1.5859617	1.0831441	2.1744	78.28	-0.25736	0.02087	0.27823	1197.0756	0.152166	-422.509175	-422.498576	-422.497632	-422.54454	38.263
+C	-0.0991875911	 0.1084225314	 0.1666436958	-0.467258
+C	 1.4109116766	-0.0317820086	 0.1502921527	 0.345922
+C	 2.0108992723	-0.3623449061	 1.5011130929	-0.459431
+O	 2.1223121705	 0.9673111136	-0.5929212687	-0.313253
+C	 2.1569370066	-0.3829306137	-1.0981254144	 0.065446
+C	 1.4483643597	-0.5902009935	-2.4354742707	-0.149319
+O	 1.0423497061	-1.9302820564	-2.6309344657	-0.405326
+C	 3.4278441279	-1.0665448295	-1.0075343482	 0.32167
+C	 4.480146182	-1.6474879395	-0.987498227	-0.432673
+H	-0.3813333994	 0.9026171294	 0.8662165172	 0.135426
+H	-0.5126389027	 0.365977359	-0.8086971552	 0.130918
+H	-0.5675434314	-0.8174670457	 0.5182606704	 0.121881
+H	 1.6110655373	-1.3086861058	 1.8804873551	 0.120631
+H	 3.096421	-0.4415430477	 1.4414486901	 0.144891
+H	 1.7547053692	 0.4228849698	 2.2204367547	 0.124639
+H	 0.6182866909	 0.1219224356	-2.5162428456	 0.103109
+H	 2.1512910722	-0.3667784876	-3.2433025885	 0.127682
+H	 0.4073482188	-2.1522506737	-1.9422146665	 0.286255
+H	 5.4104743343	-2.1593379908	-0.9628408583	 0.19879
+19
+0 4905	1.9323937	1.5856893	1.1344651	2.0154	78.95	-0.24593	0.04349	0.28942	1165.993	0.152897	-422.511691	-422.50126	-422.500316	-422.546666	38.366
+C	-0.7550662858	-3.4145787873	 0.8693608035	-0.444717
+C	-1.4236316596	-2.2887853919	 1.6264781441	 0.376763
+O	-1.6871612388	-2.5999355051	 2.9669996025	-0.451999
+C	-2.3791860823	-1.3390484852	 0.9512454694	-0.394097
+C	-1.0093919858	-0.8387139526	 1.4215655584	 0.037464
+C	 0.039757224	-0.4748068995	 0.3742633775	-0.119947
+O	 1.3598892727	-0.6817871557	 0.8349947875	-0.419444
+C	-0.9390123055	 0.0160770052	 2.5770972092	 0.301083
+C	-0.7863281391	 0.7784309148	 3.4959373487	-0.463817
+H	 0.2061003353	-3.6623253129	 1.3274331071	 0.143884
+H	-1.3917825852	-4.3073812066	 0.8995029483	 0.107163
+H	-0.5867822396	-3.1714847604	-0.1814853188	 0.121474
+H	-2.3737191079	-3.2761935322	 2.9821061973	 0.28313
+H	-2.5308788188	-1.4155875551	-0.1210232127	 0.114338
+H	-3.2402589307	-1.0106292503	 1.521066063	 0.125461
+H	-0.0748812574	-1.0974618748	-0.5165624406	 0.102755
+H	-0.1235959674	 0.5700956102	 0.0683977714	 0.097838
+H	 1.4506355787	-0.1881665735	 1.6590303613	 0.289115
+H	-0.6856536268	 1.4312424728	 4.3272259625	 0.193552
+19
+0 4906	1.9888105	1.630262	1.1617579	0.9936	78.83	-0.22637	0.02786	0.25423	1147.846	0.152494	-422.496954	-422.486712	-422.485767	-422.531342	37.978
+C	 1.4189935414	-0.0372180892	-0.0037301998	-0.265155
+O	 0.0017596803	-0.0808135981	 0.1586777543	-0.29101
+C	-0.4659744546	 0.6923745216	 1.2380699183	 0.140249
+C	-1.8216210078	 0.2283400813	 1.7512082282	-0.40647
+C	-0.5894881548	-0.0913013278	 2.5577430244	 0.379839
+C	-0.343397187	 0.553459455	 3.894090984	-0.442806
+O	-0.0979310656	-1.3978865729	 2.5269820002	-0.470889
+C	-0.1430486965	 2.0915649528	 1.2122023924	 0.318897
+C	 0.1411606353	 3.261233127	 1.1975934784	-0.474605
+H	 1.9333261482	-0.4057475215	 0.8924144113	 0.125829
+H	 1.6505710247	-0.6847202132	-0.8519250848	 0.129807
+H	 1.7592394025	 0.981736089	-0.2203879812	 0.132276
+H	-2.5053681735	 0.9911727031	 2.1055739825	 0.127583
+H	-2.276839488	-0.5786441395	 1.1861862466	 0.125583
+H	-0.9006260001	 0.0248877542	 4.6743080466	 0.128052
+H	 0.7206841654	 0.5105022071	 4.1447751199	 0.128043
+H	-0.6574860719	 1.5989481948	 3.886584049	 0.128475
+H	-0.0926814143	-1.6692725377	 1.5994103199	 0.289598
+H	 0.3821539962	 4.2954231438	 1.1815578399	 0.196703
+19
+0 4907	1.9282521	1.6313748	1.0742333	1.6518	77.	-0.24861	-0.09172	0.15689	1184.9083	0.154422	-422.563898	-422.554153	-422.553209	-422.599312	34.643
+C	-1.4400481738	 2.0572768036	-2.4154090577	-0.385098
+C	-1.9526703234	 1.9330930042	-0.9752256379	-0.271457
+C	-0.8899973906	 2.2120775414	 0.0802270058	 0.228845
+C	-0.576042514	 3.6698537763	 0.3998604761	-0.278123
+C	-1.3388210865	 2.8712517174	 1.396546907	-0.286434
+C	 0.2626828786	 1.2889433092	 0.285496138	 0.226703
+O	 1.242322702	 1.5796221917	 0.9466240031	-0.304693
+C	 0.2749692311	-0.1552004059	-0.253338479	 0.092481
+O	-0.6326614934	-0.7347481916	-0.786901913	-0.229663
+H	-0.6772302301	 1.3054328539	-2.6370310585	 0.122629
+H	-2.2567032655	 1.9122430472	-3.1289909414	 0.118079
+H	-1.0045666797	 3.0453891555	-2.5977119298	 0.115124
+H	-2.7616279693	 2.6575600905	-0.822161966	 0.089579
+H	-2.3846265924	 0.9419241642	-0.8224371204	 0.128146
+H	 0.4573144375	 3.9007603597	 0.6282504584	 0.140738
+H	-1.1071185686	 4.408903803	-0.1897821948	 0.120539
+H	-0.8211232976	 2.5598460303	 2.2961596877	 0.136269
+H	-2.4050398949	 3.035829158	 1.5054635667	 0.124652
+H	 1.2564672206	-0.6297236687	-0.0389102543	 0.111683
+19
+0 4908	2.2842061	1.2021093	1.0947233	1.9255	76.49	-0.25738	0.04457	0.30195	1235.8801	0.154044	-422.504478	-422.494541	-422.493597	-422.539272	36.425
+C	-0.2503022866	-0.7841564847	 4.0390182256	-0.399401
+C	 1.2016538478	-0.6856858055	 3.5213894278	-0.23792
+C	 1.7226856443	 0.6753024384	 3.6585627071	 0.331291
+C	 2.134149892	 1.7979494213	 3.7816499816	-0.465222
+C	 1.3260334047	-1.1972638727	 2.0838124226	 0.382543
+C	 0.638028118	-0.3934588243	 0.9851124825	-0.142019
+O	 0.9777234916	-0.8700909023	-0.2981108776	-0.419074
+C	 1.6039466927	-2.6200410012	 1.8568651634	-0.232191
+O	 2.6412714405	-1.6325495453	 1.7098641434	-0.289894
+H	-0.2940282847	-0.5037130881	 5.0939309348	 0.133554
+H	-0.9145129294	-0.1135513162	 3.4878760649	 0.135399
+H	-0.6222865269	-1.8076148587	 3.933865425	 0.120915
+H	 1.8298663945	-1.3468591351	 4.131551163	 0.116477
+H	 2.5106904632	 2.7850750528	 3.8897174499	 0.199683
+H	-0.4495623365	-0.4767490361	 1.0824451175	 0.115226
+H	 0.9046168003	 0.6669241098	 1.1099585475	 0.111341
+H	 1.9381170249	-0.9783990837	-0.2887286228	 0.292651
+H	 1.72708789	-3.2896803271	 2.706521014	 0.114567
+H	 1.2767177395	-3.0804504614	 0.9284523199	 0.132075
+19
+0 4909	2.1370472	1.3157005	1.1207118	2.6422	76.97	-0.26115	0.02228	0.28343	1212.3925	0.153269	-422.500121	-422.489857	-422.488913	-422.535543	36.946
+C	 3.5264564174	-0.4590133578	-3.4497582226	-0.375834
+C	 2.3739633215	 0.2725401328	-2.7479063168	-0.265014
+C	 2.7846904631	 0.9744690805	-1.4625174985	 0.430669
+C	 2.5617029173	 2.4173270476	-1.2883821387	-0.227836
+O	 3.8633475722	 1.9090380949	-1.5860551981	-0.281483
+C	 2.8389589622	 0.1438168064	-0.1793484902	-0.110125
+O	 3.6624967093	-0.994921627	-0.4071211587	-0.418545
+C	 1.4942092804	-0.2462100561	 0.2594095748	 0.308306
+C	 0.4078093444	-0.5957898967	 0.637790594	-0.4705
+H	 3.1847942113	-0.8775982364	-4.4013938806	 0.103235
+H	 4.3447866992	 0.236369504	-3.6566729415	 0.12901
+H	 3.9147122238	-1.2679514625	-2.8298937006	 0.140264
+H	 1.9565633329	 1.0229385641	-3.4281228528	 0.097174
+H	 1.5620064397	-0.4258371857	-2.5158360581	 0.11229
+H	 2.0797767242	 2.97720921	-2.0881969929	 0.115729
+H	 2.4408638026	 2.8402898963	-0.2913176547	 0.112718
+H	 3.2901871212	 0.7874074582	 0.5916136564	 0.103212
+H	 3.5431514078	-1.5973536287	 0.3343280001	 0.291657
+H	-0.5557916705	-0.8961231138	 0.9692938794	 0.205071
+19
+0 4910	2.0430964	1.3873986	1.2539723	2.2609	76.87	-0.25395	0.0377	0.29165	1155.991	0.153479	-422.489596	-422.479484	-422.47854	-422.524598	36.853
+C	 1.3061755616	-0.318543038	-0.1161838507	-0.258598
+O	-0.0337305527	 0.1655888417	-0.0714170631	-0.303829
+C	-0.4471927325	 0.7464603494	 1.1373759844	 0.401413
+C	-1.7958633038	 0.3007345702	 1.6159423363	-0.315428
+C	-0.5450862899	-0.1021428044	 2.3721552724	-0.325549
+C	-0.0965400994	 2.2331340962	 1.2343922531	-0.117423
+O	-0.4723138482	 2.8884412022	 0.0355021452	-0.411409
+C	 1.3173187319	 2.4757576345	 1.5734795085	 0.334009
+C	 2.4594222909	 2.7045305136	 1.8727933845	-0.471807
+H	 1.5012970898	-1.0260367454	 0.6990637563	 0.114089
+H	 1.4101394799	-0.8375582977	-1.0719348841	 0.126782
+H	 2.0386882693	 0.4924716209	-0.059038277	 0.134628
+H	-2.4598113104	 1.0388743354	 2.0516780231	 0.120514
+H	-2.2842390608	-0.4646790058	 1.0246646132	 0.126453
+H	-0.3356585918	 0.3599957089	 3.3309960855	 0.124196
+H	-0.2299769931	-1.1365065539	 2.2948832158	 0.12255
+H	-0.706806485	 2.6723374146	 2.0333840466	 0.111245
+H	-0.269316378	 2.262917125	-0.6735301785	 0.290113
+H	 3.4694558721	 2.9067655726	 2.1318998685	 0.198052
+19
+0 4911	2.1042588	1.3761884	1.263285	2.3154	76.81	-0.26514	0.03468	0.29982	1142.1966	0.154985	-422.50689	-422.4972	-422.496255	-422.541077	36.367
+O	 2.7267433164	 2.5008947871	 1.463910146	-0.429419
+C	 2.7297776759	 1.3214293212	 2.2806317767	-0.162116
+C	 3.1559339098	 0.0878365057	 1.5013294208	 0.341565
+C	 4.5615873516	-0.4359756348	 1.654610577	-0.307509
+C	 3.4086926672	-1.1756718798	 2.2841734358	-0.316668
+C	 2.5592230183	-0.0090478827	 0.0949665951	-0.148864
+O	 3.2285618728	 0.8550737098	-0.8123336461	-0.422978
+C	 1.1076548512	 0.2521427476	 0.1103959036	 0.326011
+C	-0.0682711199	 0.5070753117	 0.1390638815	-0.470457
+H	 1.8316079635	 2.5981547295	 1.1205963457	 0.297062
+H	 3.4249529282	 1.5021254992	 3.1077541182	 0.109564
+H	 1.732410915	 1.1688391917	 2.7097678382	 0.112989
+H	 5.0363507569	-0.8663808647	 0.7799707074	 0.127175
+H	 5.2371938396	 0.1106930474	 2.3041356415	 0.114847
+H	 3.0981174826	-2.1193649384	 1.8484213949	 0.118336
+H	 3.2963717675	-1.1318808783	 3.3631204755	 0.113394
+H	 2.7211881323	-1.0236843749	-0.288723653	 0.108902
+H	 3.3069163393	 1.7016073033	-0.3479219961	 0.287496
+H	-1.1120460583	 0.7050790094	 0.1375615072	 0.20067
+19
+0 4912	2.5462199	0.9795335	0.8260675	2.9784	81.98	-0.22976	0.05226	0.28202	1458.8127	0.154165	-422.513753	-422.5031	-422.502156	-422.551075	37.179
+C	 1.5367748666	 0.0030397281	 0.0867396381	-0.502092
+C	 0.0815077128	 0.0071689122	 0.05007846	 0.130739
+C	-1.1227979933	 0.0065853923	 0.0101048872	-0.010263
+C	-2.5599785591	 0.0218351837	-0.04812999	 0.075417
+C	-3.1813094282	 0.5602186581	-1.3402693892	-0.115871
+O	-3.0712077007	-0.3526992944	-2.4113165679	-0.422824
+C	-3.3450056211	 0.2421741778	 1.2503673026	-0.370134
+C	-3.3058464128	-1.1173412463	 0.6167779488	 0.071876
+O	-4.4169862815	-1.6021821633	-0.087216322	-0.429642
+H	 1.9261639965	 0.7902902794	 0.7422675598	 0.144083
+H	 1.924583183	-0.9544634696	 0.4524060314	 0.145416
+H	 1.9558568016	 0.1674110338	-0.9122012003	 0.151177
+H	-4.2292584439	 0.828520116	-1.1496024179	 0.083953
+H	-2.6510358703	 1.4668785749	-1.6454401609	 0.112507
+H	-3.593756052	-1.1228986911	-2.158236972	 0.294817
+H	-2.7847792787	 0.4026447179	 2.1638213649	 0.124301
+H	-4.2655993695	 0.8099701226	 1.1626813624	 0.117633
+H	-2.7004543513	-1.8842574535	 1.0956681514	 0.104028
+H	-5.1192249883	-1.8023811688	 0.5401621238	 0.294881
+19
+0 4913	1.7878504	1.2196156	0.8592564	2.1373	81.6	-0.24425	0.02809	0.27233999999999997	1446.4854	0.152994	-422.511124	-422.500196	-422.499252	-422.549149	37.25
+C	 1.5867455217	 0.0038555694	-0.0895118175	-0.505059
+C	 0.1332007923	-0.0571682816	-0.0822293552	 0.129277
+C	-1.0704417054	-0.104274788	-0.0729285196	 0.040467
+C	-2.5115087199	-0.1224783955	-0.1091542425	 0.1193
+C	-3.1538991847	 0.5684247406	-1.3077083276	-0.145362
+O	-2.7488490079	 0.0150178583	-2.5436316655	-0.401068
+O	-3.1960008053	 0.1353643216	 1.1353056712	-0.283669
+C	-3.276729549	-1.1836736876	 0.5959595753	 0.03546
+C	-2.6323594234	-2.2916157408	 1.3847308619	-0.428694
+H	 1.963145902	 0.5388518723	 0.7892916889	 0.154158
+H	 2.0294689478	-0.9981961461	-0.0844262732	 0.149918
+H	 1.9537164341	 0.52620316	-0.9796054765	 0.155463
+H	-4.2450533275	 0.5429066242	-1.1697845111	 0.097275
+H	-2.8434575777	 1.6174115516	-1.3297753261	 0.123908
+H	-2.9991201219	-0.9147496179	-2.5489217524	 0.283891
+H	-4.2593131336	-1.4208892291	 0.1784932638	 0.083618
+H	-3.2263836319	-2.514433977	 2.2770586063	 0.130321
+H	-2.5745945472	-3.2044136512	 0.7820379756	 0.119746
+H	-1.6239970327	-2.0109375131	 1.6945114542	 0.141052
+19
+0 4914	2.6556865	0.9996954	0.8425019	1.8819	82.48	-0.22034	0.03397	0.25431000000000004	1453.428	0.153323	-422.495192	-422.484581	-422.483637	-422.532004	37.026
+C	-2.7090690778	 2.0757401605	 1.344181461	-0.26236
+O	-3.1257914259	 0.7216703139	 1.1830537321	-0.290873
+C	-2.5423021834	 0.0836357272	 0.0701805307	 0.164114
+C	-3.362015419	-1.099102259	-0.4205214113	-0.385675
+C	-3.3904457282	 0.1890613314	-1.1975998397	 0.089409
+O	-4.5118249424	 1.0112735365	-1.1703326378	-0.429776
+C	-1.1078893631	 0.0483514096	 0.0083540648	 0.039866
+C	 0.0957386001	 0.0255440661	-0.0622551567	 0.086763
+C	 1.5481565893	-0.0145780953	-0.1450894719	-0.50355
+H	-3.2396180657	 2.4589343972	 2.2185109645	 0.1273
+H	-1.6286504114	 2.1374258399	 1.5178213572	 0.128302
+H	-2.9648159863	 2.679673851	 0.4643727099	 0.124197
+H	-2.8239354638	-1.9505457547	-0.8201312544	 0.126266
+H	-4.2360545459	-1.3360342149	 0.1775456621	 0.125993
+H	-2.8870903555	 0.2376912137	-2.1563466454	 0.116163
+H	-4.7545947717	 1.1057223213	-0.2394919783	 0.290852
+H	 1.9972567669	-0.1764283188	 0.841076827	 0.152011
+H	 1.8799064668	-0.8318950976	-0.7950385496	 0.152269
+H	 1.9570342969	 0.9178827618	-0.5499595842	 0.148727
+19
+0 4915	2.049099	1.4013508	0.9638782	0.9232	78.53	-0.25937	-0.05704	0.20232999999999998	1258.1209	0.154104	-422.56994	-422.560102	-422.559158	-422.604886	34.641
+C	 1.6174692661	-0.158023225	 1.4405695529	-0.381052
+C	 1.1557275607	 0.1158679448	 0.0021736336	-0.301367
+C	 2.0337603148	-0.5744327077	-1.0254858455	 0.237355
+C	 3.398650445	-0.0446829447	-1.3652461837	-0.306188
+C	 2.335264122	 0.0601497974	-2.4215627326	-0.149765
+C	 1.7724445898	 1.3857658311	-2.7763436173	 0.135844
+O	 1.7969857991	 2.3657193851	-2.0670233377	-0.26377
+C	 1.8816489185	-2.0617117559	-1.1204889792	 0.102514
+O	 2.5530531944	-2.7785674964	-1.822539062	-0.265954
+H	 1.6178311496	-1.2285065515	 1.673882428	 0.117037
+H	 2.6330910611	 0.2160470432	 1.6036279548	 0.125675
+H	 0.9569119445	 0.3368628802	 2.1583484376	 0.122086
+H	 0.1203246281	-0.2270641492	-0.1248797613	 0.100551
+H	 1.1551565431	 1.1913085025	-0.1847365784	 0.146571
+H	 3.6880288467	 0.8881389338	-0.8934018415	 0.144022
+H	 4.1828725428	-0.7729918192	-1.5361757831	 0.14371
+H	 2.3705769684	-0.6655922306	-3.2267048129	 0.119358
+H	 1.3081697745	 1.4300017182	-3.7852613077	 0.08889
+H	 1.0696778208	-2.4812358261	-0.4864474338	 0.084484
+19
+0 4916	1.9001254	1.8097799	1.1375578	1.1171	75.08	-0.25328	-0.03276	0.22052	1129.6899	0.154761	-422.526057	-422.516946	-422.516002	-422.560604	33.05
+C	 1.0591488854	 1.0814153179	 0.1588678859	-0.398292
+C	 1.1022020301	-0.4455331447	 0.0145170101	-0.254997
+C	 1.893294039	-0.9686116331	-1.194445591	 0.189652
+C	 1.6156572491	-2.4479360848	-1.6522272332	-0.325885
+C	 1.0875574911	-1.9058852305	-2.9817386078	 0.048024
+O	 0.0079909127	-1.0007129169	-2.6898091991	-0.247474
+C	 1.3436761685	-0.515710635	-2.5901117266	-0.012945
+C	 3.3756990606	-0.6688269501	-1.1021522994	 0.102434
+O	 4.2603821036	-1.4111811866	-1.4502562891	-0.250001
+H	 0.4143609158	 1.3639824429	 0.9962760338	 0.122724
+H	 2.0440344108	 1.5191176932	 0.347566093	 0.120253
+H	 0.6509085742	 1.5501306027	-0.7425937293	 0.128029
+H	 1.5026156106	-0.9003974751	 0.9296509406	 0.102627
+H	 0.0789639947	-0.8167429643	-0.0953666488	 0.125134
+H	 2.5486784128	-3.0032835883	-1.7577551779	 0.139751
+H	 0.8953237841	-3.0098352835	-1.0536671504	 0.108706
+H	 1.0864177889	-2.3691063379	-3.9608210947	 0.111241
+H	 1.6077475751	 0.360564141	-3.1713433433	 0.108584
+H	 3.6201789031	 0.3364980331	-0.6951984529	 0.082435
+19
+0 4917	2.5083299	1.4579666	1.1638568	2.5896	75.33	-0.24035	-0.03252	0.20783000000000001	1130.5248	0.154604	-422.524562	-422.51553	-422.514586	-422.558553	33.207
+C	-0.106819088	 0.2799146654	 0.0307785092	-0.392018
+C	 1.3912115515	-0.0358786543	 0.1192214192	-0.245097
+C	 1.9024648077	-0.8145747557	-1.0803118383	 0.311909
+O	 1.1524663671	-2.0390347489	-1.3811667376	-0.33538
+C	 2.3633922485	-2.7986561854	-1.4257606334	 0.10488
+C	 3.0195305675	-2.8228280072	-0.0877720494	-0.313256
+C	 3.2117212533	-1.6225727226	-0.9951510462	-0.178641
+C	 1.942319726	 0.0170250551	-2.361053554	 0.142566
+O	 2.0848638633	 1.2110012734	-2.3935521515	-0.255849
+H	-0.4414904775	 0.8062329071	 0.9290477408	 0.114318
+H	-0.3273714004	 0.9173430544	-0.8304026118	 0.130301
+H	-0.6895516632	-0.6402294547	-0.0653878381	 0.134027
+H	 1.9706188064	 0.8922456857	 0.1713199576	 0.122561
+H	 1.6014671906	-0.6058196024	 1.0293586955	 0.098785
+H	 2.4677642445	-3.5406669637	-2.2079106364	 0.111133
+H	 2.4155854408	-2.7633760682	 0.8122695999	 0.123773
+H	 3.9003006996	-3.4533315458	-0.0123605613	 0.122319
+H	 4.1817266651	-1.2785651534	-1.3268453489	 0.112838
+H	 1.8447662672	-0.5971713588	-3.2831811252	 0.090832
+19
+0 4918	2.378614	1.5896974	1.1982928	1.8422	75.62	-0.23442	-0.03097	0.20345	1101.4155	0.154913	-422.520084	-422.511146	-422.510202	-422.553574	33.017
+C	 1.2617671938	-0.1928930164	-0.2557361623	-0.262281
+O	-0.1261971502	-0.1035375742	 0.0111758628	-0.292656
+C	-0.4602885223	 0.7266875941	 1.101890997	 0.334655
+C	-0.0670803427	 0.175394483	 2.5128027168	-0.306658
+C	-1.5542169403	-0.0586783176	 2.8171027337	-0.03603
+C	-2.3181603378	 1.2278416702	 2.7170626801	-0.292418
+C	-1.9483215144	 0.5002872762	 1.4515709342	-0.112269
+C	-0.1434674292	 2.1757989196	 0.7798397116	 0.099984
+O	 0.1770785453	 3.0109609976	 1.5881615183	-0.254751
+H	 1.8151977165	-0.637598853	 0.58268533	 0.115692
+H	 1.3732912988	-0.8354068978	-1.1316006294	 0.134925
+H	 1.7068984104	 0.7878615355	-0.4788630824	 0.115909
+H	 0.4962803646	-0.7537368996	 2.41140131	 0.113807
+H	 0.4654011553	 0.8648534021	 3.1723839465	 0.11572
+H	-1.9551586071	-0.9270026985	 3.3244301779	 0.090493
+H	-3.370356248	 1.1672082933	 2.9754451901	 0.116594
+H	-1.8458540122	 2.1729699771	 2.969485536	 0.134999
+H	-2.6693715289	 0.1478286777	 0.7253834662	 0.098768
+H	-0.2907416416	 2.4265546506	-0.2967073271	 0.085518
+19
+0 4919	2.693393	1.4027391	1.1381847	3.1744	75.48	-0.25121	-0.03323	0.21797999999999998	1124.2038	0.156519	-422.536439	-422.527861	-422.526917	-422.56963	32.429
+O	 0.1821705699	 0.6159324868	-1.058016698	-0.427917
+C	 0.5404733303	 0.0579503099	 0.1896520584	-0.134406
+C	-0.2007629791	 0.7132870083	 1.35426682	 0.191571
+C	 0.2401357787	 0.3540851722	 2.8286558748	-0.314809
+C	 0.4669673177	 1.8394803708	 3.1204215485	-0.034014
+C	 1.4939704405	 2.3887938464	 2.1777444743	-0.291079
+C	 0.0898232356	 2.1996076266	 1.6788369324	-0.066315
+C	-1.693420665	 0.5326404998	 1.2278437069	 0.134398
+O	-2.2576556677	 0.0443845175	 0.2762363211	-0.284421
+H	-0.7478634774	 0.388872068	-1.1845875465	 0.295305
+H	 0.3603433416	-1.0290117691	 0.2180892726	 0.0919
+H	 1.6186280059	 0.2091426206	 0.3031488556	 0.103518
+H	-0.5661817431	-0.0985686383	 3.4113772971	 0.112173
+H	 1.1218419379	-0.2909590444	 2.900893598	 0.109678
+H	 0.1987589614	 2.3413233386	 4.0413591716	 0.092934
+H	 1.7704189895	 3.4254145349	 2.3412094222	 0.120633
+H	 2.3099802619	 1.7659811088	 1.8206227284	 0.113905
+H	-0.4929471609	 3.0324350859	 1.3053548471	 0.097512
+H	-2.2785054776	 0.9038788567	 2.0997840556	 0.089435
+19
+0 4920	2.2686607	1.4884854	1.2397159	1.6052	76.55	-0.24232	-0.02866	0.21366000000000002	1115.7099	0.155175	-422.564439	-422.555285	-422.554341	-422.59881	33.108
+C	 1.401356839	-0.3544080463	-0.1509841	-0.257422
+O	 0.0010595603	-0.1703904908	-0.0424921873	-0.287268
+C	-0.4229581292	 0.625227188	 1.0559970155	 0.327708
+C	-1.9777404064	 0.7165586634	 0.9845768115	-0.337458
+C	-2.2675116124	 2.164618357	 1.2744677599	-0.057207
+C	-1.1611146582	 2.9026838907	 1.3146622728	-0.053882
+C	 0.0851607776	 2.0923720827	 1.0649471144	-0.326298
+C	-0.0734669499	-0.117055714	 2.3493597173	 0.105666
+O	 0.3717828904	 0.3792094634	 3.3500035739	-0.24328
+H	 1.8341328003	-0.8190742428	 0.7469497523	 0.117279
+H	 1.5636315976	-1.0204261811	-1.0012087314	 0.133733
+H	 1.9295462763	 0.5904353023	-0.3361871589	 0.116651
+H	-2.2931419095	 0.4137718592	-0.0216189499	 0.129347
+H	-2.4705638356	 0.0280511046	 1.6840056515	 0.108602
+H	-3.2770431211	 2.5348130865	 1.4114953901	 0.097217
+H	-1.1272491792	 3.9725239749	 1.4874798093	 0.097085
+H	 0.5375113084	 2.3457477856	 0.098037636	 0.113227
+H	 0.8448049836	 2.2437954187	 1.8385697033	 0.127536
+H	-0.300009892	-1.2067092818	 2.2821707197	 0.088763
+19
+0 4921	2.6937378	1.3165389	1.1529382	2.8778	76.46	-0.25263	-0.03256	0.22007000000000002	1137.2985	0.156795	-422.58311	-422.574422	-422.573478	-422.616492	32.553
+O	-0.7931365178	-0.8394569345	 1.0678428848	-0.42825
+C	-0.1732686176	 0.308435674	 0.5302263558	-0.113653
+C	-1.1757174814	 1.3136049565	-0.0724439109	 0.196171
+C	-2.196585757	 1.7923005272	 1.0150918079	-0.311776
+C	-1.6677785943	 3.1432040251	 1.4273702728	-0.057592
+C	-0.7205750097	 3.5875748837	 0.6064493152	-0.058106
+C	-0.4356687753	 2.6146108215	-0.5130185496	-0.328847
+C	-1.9258672793	 0.6859739313	-1.2238437452	 0.119243
+O	-1.8819879944	-0.4821586444	-1.5336246548	-0.277427
+H	-1.1879455334	-1.2962890318	 0.3136354987	 0.295336
+H	 0.3633936465	 0.7951570064	 1.3516600977	 0.111847
+H	 0.5664611876	 0.0424182939	-0.2404210108	 0.094791
+H	-3.2183995683	 1.8814987263	 0.6169513825	 0.106241
+H	-2.245522319	 1.05621205	 1.823210205	 0.14043
+H	-2.0568645096	 3.676791105	 2.2873312382	 0.100421
+H	-0.2108106178	 4.5410236415	 0.6862794238	 0.099721
+H	-0.811708808	 2.9991726764	-1.4724694579	 0.108691
+H	 0.6348572953	 2.4272413372	-0.6628570534	 0.114523
+H	-2.5713856964	 1.3929311148	-1.7945592899	 0.088235
+19
+0 4922	2.6569862	0.9989828	0.8231775	2.009	78.27	-0.25609	0.02635	0.28243999999999997	1432.412	0.153637	-422.488269	-422.478226	-422.477282	-422.52425	36.2
+O	-3.2024569409	 2.1717942465	-2.303982093	-0.422669
+C	-1.9772213475	 1.4991311915	-2.5202681065	-0.113504
+C	-1.0753476185	 1.5999946375	-1.3095905513	 0.417394
+C	 0.4195301724	 1.4649556145	-1.4319066264	-0.332425
+C	-0.2131093124	 2.8064562815	-1.1136489953	-0.307833
+O	-1.6963065729	 1.1389764892	-0.129062271	-0.304131
+C	-1.7427268258	-0.2817358821	-0.0049371277	-0.234114
+C	-2.3421737857	-0.634414848	 1.27410906	 0.286076
+C	-2.8367659354	-0.9510835424	 2.3213597782	-0.420677
+H	-3.4563304487	 1.9777931859	-1.3933830091	 0.28972
+H	-2.1474457796	 0.4403470443	-2.7807603715	 0.084142
+H	-1.4917952202	 1.9652993186	-3.38395009	 0.105548
+H	 0.9441977774	 0.965008462	-0.6253435811	 0.122553
+H	 0.8474256835	 1.3056534301	-2.4161102627	 0.118572
+H	-0.1128143323	 3.1698416614	-0.0978779046	 0.129348
+H	-0.2291500467	 3.5742713818	-1.8787894726	 0.122269
+H	-2.3287977411	-0.7308083908	-0.8204567058	 0.129131
+H	-0.727677983	-0.6999478225	-0.0737093772	 0.126885
+H	-3.2739949125	-1.2264974392	 3.2491867875	 0.203715
+19
+0 4923	2.8089411	0.8726766	0.7461452	1.7293	77.32	-0.26009	0.05161	0.3117	1538.1446	0.154218	-422.502312	-422.492286	-422.491342	-422.538198	35.928
+O	 0.8905074895	 2.5391764541	-0.070569485	-0.414814
+C	-0.1885209838	 3.1956347499	-0.7122198142	-0.126013
+C	-1.1601385855	 2.1968587881	-1.3118643537	 0.379254
+C	-0.628026826	 1.2731732179	-2.3900563487	-0.26097
+C	-0.389023202	 1.9914935122	-3.7370183875	-0.365752
+C	 0.074552071	 1.0829991494	-4.7780765269	 0.296791
+C	 0.4523753004	 0.312447043	-5.6193639487	-0.430128
+C	-2.6046639763	 2.4415706246	-1.1903636262	-0.231447
+O	-1.9474651884	 1.539638013	-0.2969465077	-0.293602
+H	 0.5045568743	 1.9775835537	 0.6117635519	 0.294853
+H	-0.7326810499	 3.8524216431	-0.0179574314	 0.093467
+H	 0.256350333	 3.8262250008	-1.4893728283	 0.114161
+H	 0.3115927943	 0.8320258036	-2.0437391828	 0.130658
+H	-1.3406509725	 0.4561713995	-2.5319269994	 0.120228
+H	-1.3172260883	 2.478589297	-4.0636039168	 0.129451
+H	 0.3467775298	 2.7946975774	-3.6065668546	 0.13727
+H	 0.789732991	-0.3583151473	-6.3699989385	 0.195389
+H	-2.9669482786	 3.3651353014	-0.7404263759	 0.114444
+H	-3.2865834017	 1.9761844985	-1.9011556458	 0.116756
+19
+0 4924	2.2599875	1.1250779	0.880241	2.4354	81.1	-0.24481	0.02681	0.27162	1409.6486	0.154848	-422.509	-422.498821	-422.497877	-422.545884	35.115
+C	 1.6027655642	-0.0293304812	-0.0584881562	-0.501149
+C	 0.1478449287	-0.0203485102	-0.0578807952	 0.083379
+C	-1.0562575384	 0.0020882874	-0.0513393875	 0.088338
+C	-2.5093843289	 0.0011280831	-0.0647613647	 0.158058
+C	-3.089472719	 0.9244484654	-1.1465131052	-0.082933
+O	-2.8295264206	 2.2728427434	-0.8407910258	-0.41779
+C	-3.2111923281	-1.3809294964	 0.0623774468	-0.337089
+C	-3.8368988505	-0.800690215	 1.3432709763	-0.066327
+O	-3.0775996982	 0.4243152841	 1.2225472189	-0.31969
+H	 1.9965265084	 0.5401009154	 0.7905937475	 0.155043
+H	 1.9976731405	-1.0486593234	 0.0136596713	 0.147743
+H	 2.0026106583	 0.4212905011	-0.9733277752	 0.152638
+H	-2.6330972027	 0.7085270904	-2.1177717012	 0.112772
+H	-4.1718048337	 0.7257394602	-1.2223645322	 0.077056
+H	-3.0948780001	 2.3847710355	 0.0816244291	 0.292954
+H	-3.8995246282	-1.6241114873	-0.7492287556	 0.114301
+H	-2.5239877094	-2.2104870482	 0.2228070194	 0.124091
+H	-4.9171147579	-0.6176617074	 1.3005544958	 0.105883
+H	-3.6023030244	-1.327234047	 2.2745341735	 0.11272
+19
+0 4925	2.2665473	1.0912436	0.8491622	3.0098	80.6	-0.24909	0.03746	0.28655	1427.8111	0.154995	-422.50689	-422.496687	-422.495743	-422.543688	35.079
+C	 1.5419609261	-0.0007450341	 0.0731943534	-0.502038
+C	 0.0857088368	-0.0113144857	 0.0642363174	 0.093659
+C	-1.1199406478	-0.0088297824	 0.0312411642	-0.02158
+C	-2.5717207215	-0.02416636	 0.0429320252	 0.067486
+C	-3.0960702065	-0.9804756046	 1.1287961938	-0.109497
+O	-2.681678584	-0.5988713661	 2.422525131	-0.42116
+C	-3.3251089531	-0.200493669	-1.3058810879	-0.117482
+O	-4.1496969753	 0.9469048328	-1.037343359	-0.272021
+C	-3.3100845717	 1.3448620895	 0.0650942616	-0.107382
+H	 1.929574686	 0.7637136128	 0.7554559082	 0.152811
+H	 1.9467126941	-0.9674124862	 0.3920342521	 0.151353
+H	 1.9405674023	 0.2131599996	-0.9244658547	 0.154551
+H	-4.190488181	-0.9504758988	 1.1301502804	 0.118652
+H	-2.78307767	-2.0075729061	 0.8830989555	 0.092156
+H	-1.7174726213	-0.5612891887	 2.4079320953	 0.28542
+H	-2.6910255515	-0.0613846505	-2.1901656421	 0.103916
+H	-3.9114125918	-1.1209120169	-1.415809891	 0.106606
+H	-2.6718517046	 2.1988963242	-0.1916154155	 0.102836
+H	-3.878552845	 1.5639330401	 0.974465912	 0.121713
+19
+0 4926	2.2202881	1.1404556	0.871349	2.7824	80.74	-0.24774	0.03292	0.28065999999999997	1410.8705	0.153878	-422.489459	-422.47903	-422.478086	-422.527061	35.125
+C	-2.6197452464	-0.1718748137	-2.4193291246	-0.253587
+O	-3.0238664157	-0.6783455443	-1.1610472	-0.268014
+C	-2.4975696793	 0.0108547111	-0.0464384345	 0.160285
+C	-3.2117019896	-0.4673385594	 1.2431179124	-0.109226
+O	-3.7851715707	 0.8313723876	 1.4747473037	-0.268997
+C	-3.1983487919	 1.3698931863	 0.2779057866	-0.111925
+C	-1.0395736159	 0.0222090784	-0.0117589735	 0.094698
+C	 0.1646492909	 0.0330560973	 0.0263769355	 0.006852
+C	 1.6192421126	 0.0419352692	 0.0781867497	-0.500776
+H	-3.1124948172	-0.7872016546	-3.1749621725	 0.130296
+H	-2.9303081382	 0.8743241474	-2.5578854818	 0.106363
+H	-1.5321849697	-0.2344871334	-2.5508251613	 0.120825
+H	-3.9673538124	-1.2334025206	 1.0367715271	 0.114205
+H	-2.556403897	-0.7857924117	 2.0598436654	 0.109264
+H	-3.9535848644	 1.6560040893	-0.4646177887	 0.103588
+H	-2.5342465042	 2.2155426708	 0.4854163657	 0.106585
+H	 1.9750964517	 0.2382373828	 1.0954581635	 0.154623
+H	 2.0327331385	-0.9219373962	-0.2377511265	 0.15375
+H	 2.0375616889	 0.8153018036	-0.5751898062	 0.151191
+19
+0 4927	2.1663831	1.3307456	1.206612	3.7487	77.31	-0.24805	-0.05148	0.19657	1174.6482	0.15411	-422.576025	-422.566325	-422.565381	-422.611023	34.369
+C	 2.5878965015	-0.637696129	 1.3770516154	-0.401066
+C	 1.9802876788	 0.1397227791	 0.2042246951	-0.235424
+C	 1.9793244704	-0.6382979697	-1.1133380526	 0.094044
+C	 1.121586408	-1.9449462457	-1.2472902555	-0.291693
+C	 0.4229157567	-1.4018309994	-2.527906858	-0.339889
+C	 1.043777967	-0.0394854241	-2.2227963837	 0.369721
+O	 0.8334589727	 1.0822191343	-2.5702519661	-0.282505
+C	 3.3710903278	-0.8247889318	-1.6865376266	 0.137615
+O	 4.3437966388	-0.2062251834	-1.3402794997	-0.252419
+H	 2.0504370606	-1.5743962339	 1.561319822	 0.111911
+H	 3.6376506534	-0.8766483212	 1.1889974939	 0.139071
+H	 2.5380507788	-0.0437047316	 2.2944160827	 0.120616
+H	 0.9495276402	 0.4278508737	 0.4410284289	 0.098196
+H	 2.5375594362	 1.0668044053	 0.0420343906	 0.134514
+H	 1.6864066659	-2.8712215028	-1.3708426909	 0.115916
+H	 0.4355143817	-2.0605040971	-0.4065201488	 0.125167
+H	 0.8334449644	-1.8197070867	-3.4544000347	 0.140521
+H	-0.6674433915	-1.437319424	-2.5880416123	 0.138424
+H	 3.4398469986	-1.5934818622	-2.4914885198	 0.077279
+19
+0 4928	2.0941758	1.5201042	1.1285985	2.6777	77.27	-0.2535	0.01918	0.27268	1168.9273	0.154437	-422.50517	-422.495389	-422.494444	-422.539852	35.667
+C	 1.1988018619	 1.2038549855	-0.3341802976	-0.416395
+C	 0.9556556092	-0.2705447248	-0.0564848955	-0.094524
+C	 1.766062599	-1.2846018118	-0.8910202768	-0.077838
+O	 2.4194192049	-1.8215089476	 0.2819024436	-0.32316
+C	 1.6714879897	-0.9323773275	 1.1700170593	 0.151346
+C	 0.7711761307	-1.8069307152	 2.0558487675	-0.086238
+O	 1.5324305268	-2.7637633226	 2.7512897168	-0.417393
+C	 2.5539642261	-0.0867263184	 1.9602734389	 0.360294
+C	 3.261214338	 0.6316737514	 2.6149850116	-0.464047
+H	 0.7247038355	 1.8334523957	 0.4249287649	 0.127043
+H	 2.267209222	 1.4366406227	-0.3398006339	 0.134054
+H	 0.7816989807	 1.4790806242	-1.3088109876	 0.116491
+H	-0.1174571455	-0.4814870504	-0.0452639599	 0.084565
+H	 1.1867617783	-2.048617069	-1.4219444624	 0.105773
+H	 2.4909662026	-0.8394780293	-1.5831921989	 0.10886
+H	 0.2514882533	-1.1921367775	 2.7977059783	 0.115551
+H	 0.0148896751	-2.2806905217	 1.4084987118	 0.080871
+H	 2.0882866809	-3.1902738496	 2.0861438663	 0.294391
+H	 3.8934504806	 1.2535408559	 3.1996913635	 0.200356
+19
+0 4929	2.1457127	1.456391	1.0898377	2.156	77.08	-0.25279	0.02958	0.28237	1183.9346	0.154364	-422.507945	-422.498101	-422.497157	-422.542715	35.766
+C	 0.2514406472	 0.1374310133	-0.3719737557	-0.412631
+C	 1.0467412628	-0.5603937744	 0.7120144272	 0.119187
+O	 2.4749038725	-0.4646703881	 0.5072312031	-0.288605
+C	 2.6073695495	-1.8839970893	 0.3113322107	-0.108676
+C	 1.1236733904	-2.1250921466	 0.7019324562	 0.029677
+C	 0.9637809891	-2.7336910529	 2.1075554827	-0.117566
+O	 1.3592291916	-4.0866018266	 2.1575273241	-0.421109
+C	 0.3042096754	-2.8506428871	-0.2502041628	 0.272164
+C	-0.376128284	-3.4986386839	-1.0028790494	-0.461614
+H	-0.822859871	 0.019372883	-0.196289897	 0.121469
+H	 0.4874731151	 1.2058806608	-0.367632725	 0.12782
+H	 0.4861667218	-0.2673239212	-1.3599277837	 0.128679
+H	 0.7712595759	-0.1627712588	 1.6989922188	 0.078391
+H	 2.8562352885	-2.1369021411	-0.7253798604	 0.107197
+H	 3.3389424979	-2.3405730338	 0.9863907818	 0.119983
+H	 1.6162419649	-2.1943861976	 2.8016205699	 0.119633
+H	-0.0765828609	-2.595088191	 2.4417082138	 0.095973
+H	 0.8161806795	-4.5659519866	 1.5200669237	 0.288332
+H	-0.9736911962	-4.048665368	-1.687674608	 0.201695
+19
+0 4930	1.9997984	1.4168694	1.1982527	2.2814	77.73	-0.24884	0.02317	0.27201000000000003	1178.2749	0.153859	-422.506704	-422.49673	-422.495786	-422.541671	36.199
+C	 1.4095993268	-1.1017856787	 1.2172593968	-0.392873
+C	 1.1678158886	-0.2870851886	-0.0555697762	-0.213886
+C	 2.1096547976	-0.6831440464	-1.1964041923	 0.173846
+O	 1.9255173499	-2.0824215258	-1.5738157535	-0.311425
+C	 1.3324172711	-1.7299406673	-2.83987488	-0.088083
+C	 1.6379797664	-0.2430042228	-2.636852589	 0.005904
+O	 0.5062589392	 0.5753017399	-2.7485927432	-0.412324
+C	 3.5049450669	-0.385043532	-0.900426586	 0.313762
+C	 4.6544749652	-0.1033965972	-0.6858352313	-0.457782
+H	 1.3079865452	-2.1702062353	 1.0086688381	 0.136261
+H	 2.4137245501	-0.9276957715	 1.615207879	 0.125786
+H	 0.6849171923	-0.8319750484	 1.9908762843	 0.10982
+H	 0.1418192876	-0.4223384278	-0.4100345861	 0.113219
+H	 1.2953402641	 0.7842897458	 0.1423309567	 0.093373
+H	 1.8284811214	-2.2262953191	-3.680243278	 0.110286
+H	 0.2561951195	-1.9393671297	-2.8709330569	 0.111935
+H	 2.4725408573	 0.1267521452	-3.2414342677	 0.091237
+H	 0.783374723	 1.4955420582	-2.6982630811	 0.292788
+H	 5.6713181479	 0.1302520716	-0.4866116033	 0.198155
+19
+0 4931	2.037207	1.4222467	1.2763686	2.33	78.09	-0.24971	0.03131	0.28102	1146.2198	0.154232	-422.502058	-422.492326	-422.491382	-422.536271	36.009
+C	 1.3428133121	-0.1918693728	 0.0469680627	-0.253383
+O	-0.0509660716	-0.1377558339	 0.2910251431	-0.299697
+C	-0.464362845	 0.6769845564	 1.3819568566	 0.177989
+C	-0.2705954243	-0.0433957801	 2.7555196433	-0.27838
+C	-1.660986995	-0.7072576103	 2.5767329074	-0.272388
+C	-2.0055835897	 0.3885646823	 1.5283377811	 0.130903
+O	-2.7029903972	 0.0689411686	 0.3687932428	-0.430535
+C	-0.0214995272	 2.056799309	 1.253898487	 0.272489
+C	 0.3268133162	 3.2055247232	 1.1739015562	-0.447595
+H	 1.8941369635	-0.5963502287	 0.9066985779	 0.111682
+H	 1.4826977382	-0.8582332297	-0.8068948964	 0.130373
+H	 1.7443630983	 0.7995434306	-0.1944507671	 0.129488
+H	 0.5995035491	-0.6981512555	 2.8281929777	 0.110864
+H	-0.2433102657	 0.6757954041	 3.5766939327	 0.117442
+H	-1.5860366477	-1.6875765752	 2.1007535903	 0.109711
+H	-2.3075731138	-0.7816753092	 3.4527009524	 0.102517
+H	-2.5037382493	 1.2415084896	 1.9962975648	 0.099436
+H	-2.0851939539	-0.4268338395	-0.185023591	 0.292929
+H	 0.6281706431	 4.2213493512	 1.0990880685	 0.196156
+19
+0 4932	2.0664402	1.5399936	1.1884898	2.1056	77.74	-0.25022	0.02557	0.27579	1148.4325	0.153492	-422.489321	-422.479351	-422.478407	-422.524241	35.783
+C	 1.4495679847	-0.3315180925	-0.1021435594	-0.256659
+O	 0.0654886085	-0.0198836898	-0.0611612723	-0.277127
+C	-0.3981402201	 0.6239667664	 1.1041496577	 0.150458
+C	-1.9222874032	 0.8661348974	 0.9870335799	-0.107491
+O	-1.7604680299	 2.2917660982	 0.97881392	-0.288991
+C	-0.3232741968	 2.2026130094	 1.1084283266	 0.111512
+C	 0.3947406101	 2.8962997767	-0.029752837	-0.410949
+C	 0.0490488599	-0.0119552627	 2.3379896121	 0.299146
+C	 0.4122615919	-0.5149573633	 3.3681100459	-0.479427
+H	 1.7292085398	-1.0287738148	 0.6961698357	 0.127617
+H	 1.6257550294	-0.801517262	-1.0719175551	 0.131309
+H	 2.0773686692	 0.5652289966	-0.0225428418	 0.111596
+H	-2.3319792024	 0.4807805163	 0.0468746173	 0.115886
+H	-2.519387164	 0.5141039163	 1.8344336174	 0.111123
+H	-0.0007339875	 2.598841903	 2.0791800712	 0.078655
+H	 0.1889920393	 2.401336557	-0.9815671537	 0.133544
+H	 0.042999876	 3.9310007879	-0.0902181784	 0.130269
+H	 1.4763848128	 2.9153506717	 0.138348021	 0.116879
+H	 0.7281759021	-0.9626928118	 4.278246583	 0.202651
+19
+0 4933	2.018786	1.3579852	1.2002741	2.2375	77.67	-0.24842	0.03793	0.28635	1172.765	0.154922	-422.516644	-422.50692	-422.505976	-422.550858	36.27
+O	 1.411173233	 0.5707612164	-0.4217181314	-0.426494
+C	 0.4408688943	 0.0617562505	 0.4714132791	-0.083764
+C	-0.3295165338	 1.1863212498	 1.1926064743	 0.044394
+C	-1.2743553568	 1.9647799351	 0.2159992901	-0.258301
+C	-2.4505760706	 1.0541427404	 0.6602392096	-0.253618
+C	-1.6365968285	 0.6525315204	 1.9032398391	 0.102477
+O	-1.7157667754	-0.7094488851	 2.2372796994	-0.420126
+C	 0.5868370145	 1.9712986753	 1.9991235902	 0.221302
+C	 1.3660976735	 2.6050739501	 2.6642284694	-0.443257
+H	 2.0003956856	 1.1362489671	 0.0918900932	 0.285716
+H	-0.2505496134	-0.5340993745	-0.1294466956	 0.115485
+H	 0.887061903	-0.60771793	 1.2206125891	 0.088469
+H	-1.4082141372	 3.0038428079	 0.5218743854	 0.111561
+H	-0.9728379094	 1.9366758018	-0.8319331484	 0.125328
+H	-3.4218770089	 1.5203679119	 0.8328978852	 0.104778
+H	-2.5857747503	 0.1950442995	-0.0012698213	 0.121212
+H	-1.8736690823	 1.2934844846	 2.7618946563	 0.080426
+H	-1.2739727639	-0.8468085318	 3.0815466157	 0.289672
+H	 2.0366110168	 3.1770153807	 3.2569475005	 0.194741
+19
+0 4934	2.0741944	1.603191	1.1808699	2.919	77.43	-0.23212	-0.034	0.19812	1133.6297	0.154747	-422.572462	-422.563083	-422.562139	-422.607163	33.47
+C	 1.0865070692	 1.1043784991	 0.4359807242	-0.402093
+C	 0.8967021061	-0.3557662182	 0.026056673	-0.197856
+C	 1.786745594	-0.7933526984	-1.148708235	 0.242049
+O	 3.1748478289	-0.673278612	-0.8143267134	-0.309242
+C	 3.8689876507	 0.1134158402	-1.7836728753	-0.132056
+C	 2.8159958215	 0.5254809088	-2.7723305503	-0.096009
+C	 1.6391236718	 0.0268269593	-2.4127002193	-0.118929
+C	 1.5171902986	-2.263690199	-1.5088705104	 0.133377
+O	 0.4371017409	-2.7907723224	-1.4740309468	-0.257286
+H	 0.4511776202	 1.3475490793	 1.2926061672	 0.115246
+H	 2.1251790186	 1.2928064155	 0.7219979601	 0.127344
+H	 0.8302539446	 1.7903693319	-0.3773172179	 0.115761
+H	 1.1216713187	-1.0134353995	 0.873535049	 0.110271
+H	-0.1414915211	-0.560680319	-0.2538795808	 0.119135
+H	 4.3469893912	 0.9745687055	-1.2927892114	 0.112891
+H	 4.670020399	-0.4827260923	-2.2462267949	 0.112908
+H	 3.0217310852	 1.149338742	-3.6329684618	 0.11611
+H	 0.6898901213	 0.1390598554	-2.91973648	 0.122289
+H	 2.4367570007	-2.8006668861	-1.8332845263	 0.08609
+19
+0 4935	2.2892533	1.4833025	1.2372196	1.4674	77.65	-0.23404	-0.03729	0.19675	1119.2953	0.155349	-422.564535	-422.555338	-422.554394	-422.598728	33.195
+C	 1.4276855072	-0.0652877324	-0.3220218689	-0.256052
+O	 0.0232739419	-0.0956023016	-0.1407175327	-0.290617
+C	-0.4430988862	 0.5518747354	 1.0366280866	 0.298486
+C	 0.0485561728	-0.0448096076	 2.3778778251	-0.277263
+C	-1.1912170486	-0.0484052959	 3.3081856275	-0.269882
+C	-2.3461101926	 0.0805826945	 2.3475951832	-0.051383
+C	-1.9480935706	 0.3912912366	 1.115706573	-0.142489
+C	-0.1631641109	 2.0568694909	 0.9130159746	 0.109692
+O	 0.2411050839	 2.7638689766	 1.799434716	-0.248694
+H	 1.9574771359	-0.6202901735	 0.4640248175	 0.115342
+H	 1.6297990357	-0.5405896661	-1.2843885017	 0.132457
+H	 1.8265009018	 0.9596961459	-0.3460438077	 0.115722
+H	 0.3736215514	-1.0710106866	 2.1849250822	 0.113363
+H	 0.8838937609	 0.5175459852	 2.7975641922	 0.118286
+H	-1.2551508744	-0.9491093116	 3.9286777291	 0.108416
+H	-1.1696804479	 0.8050270076	 3.9977933078	 0.128369
+H	-3.3796798737	-0.0467067056	 2.6510501335	 0.104314
+H	-2.5759987794	 0.5620823518	 0.2498439584	 0.106942
+H	-0.3992481672	 2.4582611665	-0.0993792858	 0.084989
+19
+0 4936	2.0649638	1.5288643	1.1421434	3.2926	77.27	-0.24087	-0.0332	0.20767	1147.2596	0.156091	-422.579388	-422.570146	-422.569202	-422.61435	33.299
+O	 0.3998408516	-0.9864636563	-0.4699673708	-0.426932
+C	 0.7159824405	 0.3052467459	 0.0195810269	-0.106325
+C	-0.2338156935	 0.7569763461	 1.1454638993	 0.145063
+C	-1.7459663703	 0.6469497472	 0.7557651047	-0.2846
+C	-2.465445793	-0.0816715818	 1.9232542759	-0.257318
+C	-1.3314917557	-0.5901611566	 2.7751431631	-0.061708
+C	-0.1442512188	-0.1426554248	 2.3688692467	-0.145296
+C	 0.0969235587	 2.1813786169	 1.5719050267	 0.129432
+O	 1.031600592	 2.8272823987	 1.172476442	-0.259428
+H	 0.4087758512	-1.5923718541	 0.2796133756	 0.280875
+H	 1.7541158983	 0.3623623619	 0.3752805599	 0.102626
+H	 0.6321962031	 0.9852270889	-0.8327168781	 0.120584
+H	-2.1879982179	 1.6253330942	 0.5465470811	 0.105727
+H	-1.807106118	 0.0539667464	-0.1589167846	 0.136766
+H	-3.1081096852	 0.5955790486	 2.5009127555	 0.115022
+H	-3.1180468803	-0.8898102363	 1.5730407209	 0.114182
+H	-1.4891359539	-1.2334047925	 3.6347275214	 0.105304
+H	 0.8072779513	-0.350377997	 2.848405024	 0.107173
+H	-0.6167568502	 2.6014489946	 2.3187819999	 0.078852
+19
+0 4937	2.231028	1.4615357	1.1598149	0.9815	76.9	-0.25972	0.03149	0.29121	1158.1955	0.155429	-422.523935	-422.514594	-422.51365	-422.558419	34.085
+C	 1.2685532525	-0.889044916	 1.5005531269	-0.391138
+C	 0.8660623404	-0.3153213899	 0.1421024006	-0.212921
+C	 1.8526021109	-0.6537670066	-0.9913554238	 0.170029
+C	 1.5381410757	 0.1460959666	-2.2982415244	-0.166488
+O	 2.4289306582	 1.2450606628	-2.2393728144	-0.231862
+C	 3.5865502265	 0.7067493968	-1.655714332	 0.014084
+O	 3.1543323558	-0.1523117624	-0.6222638164	-0.278671
+C	 1.9128489354	-2.0946187112	-1.249201371	 0.348297
+C	 1.9374521191	-3.274716204	-1.4764785717	-0.48445
+H	 1.2994489617	-1.9823081294	 1.4717605224	 0.127196
+H	 2.2584561868	-0.5285524875	 1.7909327577	 0.135439
+H	 0.5527382407	-0.5893107276	 2.2715045641	 0.11078
+H	-0.1251354531	-0.6824892367	-0.1493780221	 0.102462
+H	 0.8096201745	 0.7782199399	 0.1921409839	 0.108901
+H	 1.7274219508	-0.4739111748	-3.1847445794	 0.108349
+H	 0.5147130268	 0.5240984183	-2.3258494196	 0.126096
+H	 4.1765608718	 0.1444552924	-2.4019823136	 0.090121
+H	 4.1845972169	 1.515920807	-1.2280771144	 0.123164
+H	 1.9689494286	-4.3185262178	-1.6710076129	 0.20061
+19
+0 4938	2.2901545	1.5027489	1.219769	1.1553	76.56	-0.25792	0.03916	0.29708	1135.2954	0.155016	-422.526175	-422.516639	-422.515695	-422.561119	34.294
+C	 2.9098912258	 1.2590639124	-1.255222367	-0.392879
+C	 1.9777724424	 0.6334320558	-0.2167286711	-0.231974
+C	 1.5264397613	-0.7809784275	-0.572514746	 0.229673
+O	 0.7453203067	-1.297520202	 0.4926251862	-0.26825
+C	 0.9115771812	-2.7125730024	 0.4857541002	-0.11067
+C	 2.1785770847	-2.9454718103	-0.377722738	-0.115646
+O	 2.654102598	-1.6330462351	-0.6513426746	-0.256072
+C	 0.7529100051	-0.8338505557	-1.8369491512	 0.367808
+C	 0.1199539168	-0.8871177934	-2.8575170363	-0.487149
+H	 3.2097709196	 2.2625488295	-0.9403660143	 0.113364
+H	 3.8123953578	 0.6551840519	-1.3805255703	 0.135094
+H	 2.4186392257	 1.3422720634	-2.2290226676	 0.128614
+H	 2.4715356976	 0.5559630724	 0.7567172557	 0.111118
+H	 1.0775305933	 1.2414307131	-0.0830097009	 0.116987
+H	 1.0306905629	-3.0415400388	 1.5217358896	 0.11762
+H	 0.0338776402	-3.2080904059	 0.053962841	 0.111265
+H	 2.9698604743	-3.4876146918	 0.1449497786	 0.119405
+H	 1.9353810894	-3.4739420599	-1.3078000648	 0.112383
+H	-0.4398676028	-0.9298874357	-3.7594644594	 0.199308
+19
+0 4939	2.3540161	1.4923473	1.1895126	0.7514	77.23	-0.25932	0.04149	0.30081	1136.7101	0.155401	-422.522862	-422.513499	-422.512554	-422.557329	34.17
+C	 1.345202287	-0.1416396694	 0.2207500937	-0.255336
+O	-0.05707083	 0.0626996797	 0.3349940072	-0.270738
+C	-0.4525202821	 0.9724259665	 1.3410794632	 0.300017
+C	-2.0097113733	 0.9560050002	 1.3458140581	-0.30344
+C	-2.3739882356	 0.3583386105	 2.7189304362	-0.208503
+C	-1.0696953136	-0.3270625222	 3.1340632828	-0.091917
+O	-0.0455322713	 0.528704402	 2.6256006386	-0.270447
+C	 0.1309801098	 2.3060708937	 1.1237131523	 0.297733
+C	 0.5797852388	 3.400340387	 0.9139056747	-0.447309
+H	 1.7751427298	-0.4849785214	 1.1677175404	 0.125866
+H	 1.4804435183	-0.9099900414	-0.543106973	 0.123255
+H	 1.857650866	 0.7763445587	-0.0925573075	 0.120989
+H	-2.4168493157	 1.9563670439	 1.1993149872	 0.122835
+H	-2.3351682448	 0.3242078354	 0.5177529352	 0.128578
+H	-2.6212278291	 1.1501613835	 3.4316948577	 0.11367
+H	-3.2195241133	-0.3319523692	 2.670721641	 0.106559
+H	-0.9249237478	-0.4048762864	 4.2138100162	 0.109372
+H	-0.9876269956	-1.329856557	 2.6920072331	 0.102875
+H	 0.9799056824	 4.368371246	 0.7372002429	 0.195938
+19
+0 4940	2.345007	1.4010141	1.1531408	2.1506	77.13	-0.25187	0.03283	0.28469999999999995	1160.2686	0.155359	-422.510035	-422.500678	-422.499733	-422.544714	34.113
+C	 1.3333393244	 0.0062944612	-0.2379429601	-0.251626
+O	-0.0544675376	 0.1878728324	-0.0357297469	-0.267331
+C	-0.4408347685	 0.6663724159	 1.2496022232	 0.218974
+C	-0.0271290123	 2.160163598	 1.4752476345	-0.294546
+C	-1.3728553086	 2.8777274403	 1.6713409265	-0.076311
+O	-2.3101085232	 2.106282698	 0.9387352015	-0.2386
+C	-1.9961226447	 0.7597993121	 1.2240655569	-0.134728
+C	 0.0273454999	-0.2248556614	 2.316370391	 0.319043
+C	 0.3990387517	-0.9591353112	 3.1930902553	-0.50702
+H	 1.7538069302	-0.7260007376	 0.4630112742	 0.12162
+H	 1.4487890428	-0.3645006075	-1.2588160044	 0.130164
+H	 1.8956055469	 0.9462974914	-0.1407032251	 0.104656
+H	 0.6557247983	 2.2916500574	 2.3156251633	 0.114332
+H	 0.460311104	 2.5145349811	 0.5642480445	 0.12422
+H	-1.6462284697	 2.9103399877	 2.7391199235	 0.094219
+H	-1.3891918277	 3.8968431049	 1.2782530464	 0.114158
+H	-2.4009476357	 0.4587455254	 2.2015365664	 0.098914
+H	-2.4057285144	 0.1213265323	 0.4402512864	 0.129583
+H	 0.7238334441	-1.6093009104	 3.9678014829	 0.200279
+19
+0 4941	2.1596077	1.4784632	1.1793522	2.8983	77.	-0.25225	0.03789	0.29013999999999995	1147.4953	0.156104	-422.529585	-422.520378	-422.519434	-422.564018	34.193
+O	 1.4386013516	 0.7457782117	 0.1395126486	-0.41966
+C	 0.5224979503	-0.1696442937	 0.6832270446	-0.079433
+C	-0.8052708272	 0.5081671939	 1.076940685	 0.13848
+C	-1.9281461386	-0.5320292441	 1.3715462187	-0.292298
+C	-2.8087525438	-0.4839412791	 0.1104911845	-0.21786
+C	-2.6043296662	 0.9572151558	-0.3545798455	-0.076142
+O	-1.2292066262	 1.2279192055	-0.1045427856	-0.293819
+C	-0.6190307975	 1.4473183297	 2.1861607218	 0.364264
+C	-0.4796716189	 2.1975845337	 3.1146218783	-0.480012
+H	 0.9480976745	 1.2471393505	-0.5238965994	 0.293597
+H	 0.2804900727	-0.9785070242	-0.0268573823	 0.078754
+H	 0.9880045935	-0.6165793664	 1.567073132	 0.114101
+H	-1.5088448088	-1.5228632719	 1.5647233931	 0.116236
+H	-2.4932589193	-0.2296348923	 2.255206894	 0.122634
+H	-2.4392428831	-1.1780021486	-0.6507669929	 0.112186
+H	-3.8545513598	-0.7261191092	 0.314547285	 0.10758
+H	-2.7852970337	 1.1149839792	-1.4211050657	 0.112388
+H	-3.242287189	 1.6510511021	 0.2138842291	 0.101947
+H	-0.3440192105	 2.8700096473	 3.9254120367	 0.197058
+19
+0 4942	2.3564458	1.3841441	1.1168087	2.3968	76.9	-0.25606	0.04143	0.29749000000000003	1163.2813	0.156587	-422.528891	-422.519742	-422.518798	-422.562872	34.016
+O	 1.3990847383	 0.821621385	 0.0975775883	-0.421846
+C	 0.3954468004	-0.0940630516	 0.4729117827	-0.099339
+C	-0.897131439	 0.599470211	 0.9785556055	 0.098985
+C	-1.9854605313	-0.4747296998	 1.3005650764	-0.302496
+C	-3.0035723955	-0.3188269159	 0.1469563008	-0.07444
+O	-2.3342732783	 0.4118815935	-0.8712967508	-0.245443
+C	-1.5528803207	 1.3779819436	-0.1981004508	-0.123068
+C	-0.5630724518	 1.4640396006	 2.1030103117	 0.257927
+C	-0.2328076354	 2.1851317515	 3.0085562378	-0.460573
+H	 1.5939695336	 1.3636054097	 0.8721558742	 0.286361
+H	 0.1440630595	-0.6679045061	-0.4244629703	 0.1228
+H	 0.7487643694	-0.7949084359	 1.2446033533	 0.092527
+H	-1.5360688126	-1.4721959544	 1.3122903327	 0.1145
+H	-2.4428859903	-0.3064372641	 2.276524016	 0.118693
+H	-3.3326809772	-1.2683888191	-0.2814928786	 0.113129
+H	-3.8920638923	 0.2333904472	 0.4910213572	 0.096152
+H	-0.8080410712	 1.7775216131	-0.8882507828	 0.133552
+H	-2.175983859	 2.1998468244	 0.1864302209	 0.093412
+H	 0.0283783134	 2.8212482773	 3.8181598359	 0.199167
+19
+0 4943	2.2322442	1.5776352	1.1194595	1.8263	74.77	-0.23021	0.05477	0.28498	1138.0577	0.155578	-422.475442	-422.466752	-422.465807	-422.508613	33.098
+C	-0.1016885146	 0.0626342133	-0.0162828943	-0.436497
+C	 1.4087102592	 0.1704339522	-0.0158168591	-0.060216
+C	 2.1772200074	-0.7402607935	-0.9450739974	-0.186485
+C	 3.7048323301	-0.4236101341	-0.9390882915	 0.012841
+O	 3.9592190963	 0.6962974336	-0.0784029812	-0.240763
+C	 3.7690704948	-0.5989662228	 0.5072694542	-0.03814
+C	 2.2420970442	-0.9541539385	 0.5670137076	 0.264802
+C	 1.7585616906	-2.0903814237	 1.4138888099	-0.175047
+O	 1.8800501213	-1.8098876401	 2.8051638645	-0.415505
+H	-0.5255767162	 0.3886362679	 0.9402423716	 0.116467
+H	-0.5257996648	 0.6998523347	-0.7991504956	 0.127332
+H	-0.4463387443	-0.9590158179	-0.2028393523	 0.119257
+H	 1.7909866215	 1.1773108865	 0.1092453497	 0.113317
+H	 1.6918034246	-1.3646287584	-1.684684193	 0.092282
+H	 4.4204981478	-0.6220611244	-1.7275346649	 0.109803
+H	 4.541331251	-0.9746736596	 1.1674544625	 0.113313
+H	 0.7268888372	-2.3612427912	 1.1446567322	 0.091437
+H	 2.3762734518	-2.9810816617	 1.2484047662	 0.109101
+H	 1.4066379221	-0.9885339624	 2.974050551	 0.282703
+19
+0 4944	2.2997377	1.5618718	1.1328147	2.907	74.49	-0.22662	0.05855	0.28517	1135.2251	0.15466	-422.471288	-422.46231	-422.461366	-422.504996	33.659
+C	 1.4006154782	-0.1054798	 1.139772499	-0.374675
+C	 0.9058731503	 0.3337259449	-0.2463795738	-0.293216
+C	 1.6205987084	-0.3772755232	-1.3605623362	 0.257531
+C	 1.1671644818	-1.6856374689	-1.975797182	 0.11178
+O	-0.1182656679	-2.1499582471	-1.6840463631	-0.445286
+C	 1.3130007921	-0.4739960904	-2.8669258933	-0.265548
+C	 2.8077171672	-0.1622032057	-3.1619991135	 0.022087
+O	 3.6379970419	-1.1581648102	-2.5425988369	-0.244336
+C	 3.1129646036	-0.0900127307	-1.7368108889	-0.038921
+H	 1.2234369402	-1.1741261397	 1.2922925169	 0.133262
+H	 2.47489884	 0.0743575682	 1.2540839084	 0.116911
+H	 0.8850111648	 0.443964677	 1.9333085691	 0.111737
+H	-0.1700664856	 0.1361376374	-0.3218503247	 0.087093
+H	 1.0234406314	 1.4200167635	-0.3573392233	 0.098715
+H	 1.8512537649	-2.5188228842	-2.0683633722	 0.130381
+H	-0.7550572991	-1.4452737248	-1.838896446	 0.286391
+H	 0.480372751	-0.0566448572	-3.4220274184	 0.087615
+H	 3.2129140208	 0.361354438	-4.0196137015	 0.111677
+H	 3.823612426	 0.5054528332	-1.1747231296	 0.106802
+19
+0 4945	2.458778	1.5932869	1.1746187	1.0875	74.9	-0.2267	0.06318	0.28988	1108.6054	0.154532	-422.458084	-422.449253	-422.448309	-422.491297	33.115
+C	 1.4793597211	 0.0788642764	 0.0287475564	-0.259906
+O	 0.0635115621	-0.0529452718	 0.0462372909	-0.276164
+C	-0.5246535921	 0.6037511668	 1.101709759	 0.39171
+C	-0.8738384866	 2.0736043809	 1.1215979695	-0.081305
+C	-0.7904648281	 2.8276955836	-0.1892817132	-0.430734
+C	-1.9714660568	 1.0210349541	 1.2281737138	-0.214789
+C	-2.0068711648	 0.3622313354	 2.6422785067	 0.016135
+O	-1.0029012549	 0.9557866241	 3.4860983856	-0.238407
+C	-0.6108557699	-0.0435619482	 2.5372518868	-0.060823
+H	 1.9333100444	-0.3242999138	 0.9445438001	 0.113935
+H	 1.8401199365	-0.4936314272	-0.8283154974	 0.129
+H	 1.7835070034	 1.1277470187	-0.0790852238	 0.118543
+H	-0.6434510946	 2.6501132349	 2.0106606803	 0.108345
+H	-0.9537637545	 2.165620993	-1.0443226815	 0.12779
+H	-1.540050851	 3.6251076442	-0.225628412	 0.119955
+H	 0.1933520297	 3.2932965428	-0.3112182457	 0.11795
+H	-2.7658999326	 0.9356157056	 0.4986986415	 0.099359
+H	-2.856308972	-0.1000050433	 3.1300429988	 0.11037
+H	-0.0789313392	-0.9176782061	 2.8946502341	 0.109037
+19
+0 4946	2.5468038	1.5793774	1.1821058	2.0212	74.73	-0.21309	0.0737	0.28679	1096.1385	0.155421	-422.460505	-422.45186	-422.450916	-422.493431	33.231
+C	 1.478569017	 0.1321610068	-0.0350524271	-0.268085
+O	 0.0536861606	 0.0434612172	-0.0609563035	-0.291467
+C	-0.5291712815	 0.5641841376	 1.0799068515	 0.370308
+C	-0.8705796935	 2.0341139157	 1.1300969779	 0.053435
+O	-0.7931938567	 2.6753461384	-0.1097027789	-0.452955
+C	-1.9718951878	 0.9915398141	 1.2590293077	-0.20981
+C	-1.9993602798	 0.2510133082	 2.6247176256	-0.053237
+C	-0.9380195492	 0.6885470385	 3.603566845	-0.307164
+C	-0.5553015416	-0.1882235327	 2.4402095109	-0.130133
+H	 1.8948536326	-0.4339113514	 0.8079410507	 0.12216
+H	 1.8386527901	-0.3017762072	-0.9699489507	 0.130849
+H	 1.8096135904	 1.1754731273	 0.0389322834	 0.127517
+H	-0.5986700941	 2.7165994826	 1.9284440458	 0.094671
+H	-0.5872938038	 1.9923975787	-0.7627848838	 0.289255
+H	-2.7887765554	 0.9788405132	 0.5489912511	 0.10124
+H	-2.8417047998	-0.3542262169	 2.9346393439	 0.095098
+H	-0.6061421058	 1.7161025362	 3.6939211905	 0.119621
+H	-0.9758475491	 0.1685281868	 4.5568521881	 0.113761
+H	-0.1368100826	-1.1798481529	 2.5578483817	 0.094937
+19
+0 4947	2.3587733	1.529308	1.1207664	2.6286	74.79	-0.21019	0.06753	0.27771999999999997	1131.2382	0.156119	-422.477942	-422.46923	-422.468286	-422.511189	33.515
+O	 1.5200316222	 0.8128557373	-0.2293238068	-0.420142
+C	 0.2006555606	 0.4452618996	 0.1638744818	-0.176235
+C	-0.7800103596	 0.5543117481	-0.9634729496	 0.309226
+C	-1.0901918505	-0.5861861897	-1.8964532669	 0.014377
+O	-0.5913153527	-1.815882004	-1.441959164	-0.438527
+C	-2.2052010021	 0.014423097	-1.0676020622	-0.18535
+C	-2.6990243455	 1.3984542282	-1.5618289605	-0.059686
+C	-2.0147621327	 1.8928819136	-2.8084055994	-0.310629
+C	-1.2733590263	 1.929995519	-1.4966005359	-0.108889
+H	 1.7949733306	 0.1840787308	-0.9049983504	 0.2849
+H	 0.1687666852	-0.5707858991	 0.5770866998	 0.104932
+H	-0.0681508034	 1.1440032162	 0.9643062548	 0.104188
+H	-1.0496145271	-0.4730860062	-2.9774118032	 0.084527
+H	-1.2386490798	-2.495963514	-1.6554775304	 0.290429
+H	-2.732944055	-0.595071844	-0.3439329628	 0.090995
+H	-3.6054821822	 1.8560051736	-1.1861083758	 0.091372
+H	-1.7415107361	 1.250670759	-3.6373013966	 0.114343
+H	-2.3598147957	 2.8710184475	-3.1319938646	 0.113241
+H	-0.91445783	 2.8586953869	-1.0714384873	 0.096928
+19
+0 4948	1.9815135	1.7692999	1.0663774	3.611	76.95	-0.24562	-0.01613	0.22949	1159.6605	0.156078	-422.550031	-422.540962	-422.540017	-422.583856	33.539
+C	-3.203104906	-1.9200105948	-1.3453421774	-0.432033
+C	-2.0623471345	-0.9503517418	-1.1224533607	-0.048355
+C	-2.2053316441	 0.1266278357	-0.1017655652	-0.138846
+C	-1.0092968504	 1.0901917582	-0.193357613	-0.363493
+C	-0.1186841706	-0.1294129747	 0.1458671513	 0.367946
+O	 1.0279835429	-0.2500604001	 0.4970194376	-0.342738
+C	-1.2617208191	-1.0874149554	 0.1758655565	 0.213615
+C	-1.2389881336	-2.2757726312	 1.1043437515	-0.187377
+O	-0.1222675854	-3.0992707012	 0.8112239181	-0.419602
+H	-3.7893395874	-2.0749708781	-0.4345353363	 0.122771
+H	-3.8809536189	-1.5337943543	-2.1132563361	 0.126739
+H	-2.8350869073	-2.8953142727	-1.6789474007	 0.139036
+H	-1.5089389088	-0.710568467	-2.029590185	 0.093269
+H	-3.1420678894	 0.3386282454	 0.3979548542	 0.107199
+H	-0.8530397751	 1.5907524367	-1.1536555182	 0.123435
+H	-0.9544770612	 1.8296629503	 0.6107863165	 0.134913
+H	-1.2118804253	-1.9260857134	 2.1488993292	 0.094863
+H	-2.1305934039	-2.8995360374	 0.9934611973	 0.110648
+H	 0.6572641979	-2.5301346143	 0.8630085204	 0.298008
+19
+0 4949	1.9483712	1.7549381	1.0619262	4.3876	75.56	-0.26795	0.00636	0.27431	1177.7205	0.155653	-422.56122	-422.552064	-422.55112	-422.595171	33.446
+C	 0.7512704214	-0.3116355973	 0.9225597613	-0.381354
+C	 0.7864059856	 0.3464778455	-0.4653436104	-0.302251
+C	 1.6413176506	-0.4296785368	-1.4300301402	 0.110643
+C	 3.1620448656	-0.2345433406	-1.682375174	-0.076224
+C	 3.7983150618	 1.0571606651	-1.2181042339	-0.434343
+C	 2.2005375493	-0.2067013624	-2.8167235278	 0.007787
+O	 1.8921320665	-1.5720895995	-3.2128316012	-0.266407
+C	 1.298373131	-1.7956130067	-1.9752337879	 0.439006
+O	 0.7024653871	-2.7629817729	-1.624534923	-0.335271
+H	 0.3832025858	-1.3386616754	 0.8507580678	 0.150994
+H	 1.7499565796	-0.342745803	 1.3699630853	 0.117529
+H	 0.0942950717	 0.2435635277	 1.5983253053	 0.114267
+H	-0.233024191	 0.4138869788	-0.8640582854	 0.115464
+H	 1.1541802816	 1.3745276982	-0.3841737688	 0.10549
+H	 3.798782243	-1.1135764338	-1.6140272168	 0.110473
+H	 4.0021003582	 1.0376472968	-0.1428615206	 0.135334
+H	 4.7492241148	 1.2130363385	-1.7372324849	 0.134264
+H	 3.1635907708	 1.9241581878	-1.4232940319	 0.126213
+H	 2.0364540767	 0.57267842	-3.5481421127	 0.128386
+19
+0 4950	1.9801236	1.7568398	1.0662001	3.7357	76.86	-0.23876	-0.01046	0.2283	1161.4735	0.155151	-422.548405	-422.53906	-422.538116	-422.58261	34.26
+C	 2.1204725342	 0.5592159855	 0.9920252865	-0.384727
+C	 1.6015386523	 0.7203407193	-0.4449334652	-0.297286
+C	 1.9460960192	-0.4672449777	-1.302694944	 0.223454
+C	 1.071110791	-1.7191622659	-1.3640915943	 0.057918
+O	-0.1852862336	-1.5167140061	-0.7893613966	-0.427854
+C	 1.3777585476	-1.032901692	-2.6505294961	-0.190002
+C	 2.7788306354	-1.4488146159	-3.1158476499	-0.367073
+C	 3.315659471	-0.8224306131	-1.8011158232	 0.35948
+O	 4.4192399289	-0.5361871544	-1.4259493652	-0.318851
+H	 1.6535306551	-0.3021350591	 1.4797150194	 0.123752
+H	 3.2036584671	 0.4101486684	 0.9962841764	 0.141889
+H	 1.8937637395	 1.4488716857	 1.5874043085	 0.109116
+H	 0.5162375633	 0.8530706004	-0.4405724636	 0.117916
+H	 2.0379253496	 1.6202910132	-0.8947091202	 0.103916
+H	 1.5063983819	-2.700082576	-1.1588380833	 0.09351
+H	-0.8257816233	-2.0398639191	-1.2827068771	 0.294318
+H	 0.6052252737	-0.5843676182	-3.2616481502	 0.107116
+H	 2.9534343673	-2.5180577362	-3.2747883453	 0.117843
+H	 3.1515826299	-0.8923632288	-3.9803852766	 0.135565
+19
+0 4951	2.1143804	1.7495282	1.0969903	2.7507	77.29	-0.22826	-0.01123	0.21703	1145.3945	0.154767	-422.532166	-422.522759	-422.521815	-422.566392	33.927
+C	 1.5111636168	 0.0680188088	 0.0363022457	-0.268115
+O	 0.0847074729	 0.0162958175	-0.0039440381	-0.281948
+C	-0.5060797917	 0.6308469237	 1.0689214372	 0.327591
+C	-0.8689829916	 2.1293706336	 1.0569439773	-0.082966
+C	-0.7287730758	 2.8343186901	-0.2761429375	-0.425864
+C	-1.96379762	 1.125045934	 1.2282328253	-0.156998
+C	-1.9963924892	 0.6618384388	 2.6927350404	-0.364666
+C	-0.5629607616	 0.1001587666	 2.4726779718	 0.351105
+O	 0.1327779054	-0.6486639825	 3.1008466836	-0.327418
+H	 1.8935417091	-0.4296808653	 0.9337377887	 0.147649
+H	 1.8663423555	-0.45582668	-0.8531195984	 0.130527
+H	 1.8728865883	 1.1044760102	 0.015228588	 0.11248
+H	-0.6053200948	 2.7363922906	 1.9219960827	 0.08908
+H	-0.9190719012	 2.1499602439	-1.1062186591	 0.136639
+H	-1.4370049745	 3.6665458981	-0.3441905527	 0.123413
+H	 0.2785803019	 3.2428493439	-0.4037148617	 0.123869
+H	-2.7646920418	 1.0002312128	 0.511261094	 0.112098
+H	-2.1241189793	 1.4404523681	 3.4505534198	 0.11922
+H	-2.6893559083	-0.159969463	 2.8946728532	 0.134303
+19
+0 4952	2.5455286	1.6514222	1.1944876	3.1341	74.48	-0.24331	0.06013	0.30344	1076.9299	0.155999	-422.467606	-422.459231	-422.458287	-422.500671	31.86
+C	 1.1390312104	-1.8475901017	 3.1068023173	-0.417299
+C	 2.2908427949	-1.4143563175	 2.2111747328	-0.089603
+C	 1.975474217	-0.8535129209	 0.7998543468	-0.10313
+C	 1.8146402361	-2.2769315473	 0.1869310296	 0.035562
+O	 2.758110221	-2.0473292551	-0.9150664661	-0.339397
+C	 3.3368129957	-1.3442810358	 0.2357267948	 0.032973
+C	 2.9412959833	-2.456082401	 1.2638797096	 0.278565
+C	 3.7069977872	-3.7236108776	 1.5132775077	-0.174663
+O	 3.9947650156	-4.4068219947	 0.3032296902	-0.438527
+H	 1.4987016408	-2.4398779949	 3.9549060279	 0.123202
+H	 0.6113148314	-0.9783066418	 3.5134503503	 0.121835
+H	 0.408212104	-2.4553469513	 2.5625106987	 0.117255
+H	 3.0171253865	-0.8138027881	 2.7717001904	 0.07452
+H	 1.4352079162	 0.0470246029	 0.5082003988	 0.085883
+H	 0.9250102319	-2.8699378163	-0.0177220928	 0.104071
+H	 4.2777409171	-0.8108009247	 0.103402625	 0.100801
+H	 4.6390919432	-3.4897228408	 2.0539631925	 0.09115
+H	 3.1247967351	-4.3938075475	 2.1627103607	 0.099715
+H	 3.7941121527	-3.8066352657	-0.4280588141	 0.297089
+19
+0 4953	2.4688569	1.651143	1.1764944	2.5843	74.59	-0.22696	0.06731	0.29427	1091.5635	0.155529	-422.471143	-422.462607	-422.461662	-422.504345	32.296
+C	 2.825557717	 0.1223057656	 1.1872889652	-0.373634
+C	 1.8693038933	 0.3838355538	 0.0162404542	-0.336598
+C	 2.4052224465	-0.0269510055	-1.3278559715	 0.299575
+C	 1.7074777919	 0.0161265131	-2.7089481161	 0.036762
+O	 0.6413405799	-0.8829062377	-2.9272785894	-0.439492
+C	 3.0751975458	-0.5641104815	-3.0683798332	-0.116276
+C	 3.7907903487	 0.2991796627	-1.9863558955	 0.026346
+O	 4.4880497382	-0.8277140587	-1.3746028372	-0.32955
+C	 3.1684764185	-1.3470390032	-1.7231861399	 0.043476
+H	 3.0641265603	-0.941349125	 1.2741762866	 0.12721
+H	 3.7704428263	 0.6565590518	 1.0573052667	 0.12896
+H	 2.3751425739	 0.4474946509	 2.1300318653	 0.106953
+H	 0.9240455718	-0.1499644388	 0.1874993648	 0.09904
+H	 1.6106933179	 1.4512864817	-0.019390083	 0.098801
+H	 1.4843679007	 1.0165739734	-3.1063999323	 0.063714
+H	-0.1653944121	-0.4856201067	-2.5852510147	 0.285404
+H	 3.4743809537	-0.8705828222	-4.0338307153	 0.086363
+H	 4.3160591652	 1.2484134632	-2.08771259	 0.092097
+H	 2.9387932026	-2.3872976167	-1.5022909949	 0.100849
+19
+0 4954	2.4017647	1.7874864	1.2254665	0.8989	74.92	-0.22978	0.07702	0.3068	1068.4711	0.155199	-422.457443	-422.448929	-422.447985	-422.49044	32.021
+C	 1.3757303486	-0.0867868737	 0.011762124	-0.255391
+O	-0.0436105969	-0.0157500112	 0.0779743772	-0.29012
+C	-0.5316929618	 0.6473880403	 1.1632485192	 0.414307
+C	-2.0279921362	 0.8543433516	 1.4400438005	-0.08966
+C	-2.8437432738	 1.6845301769	 0.4602626459	-0.417535
+C	-1.3367575994	 1.5547732028	 2.6354612103	-0.095531
+C	-0.1854887626	 0.5087467681	 2.6996376377	-0.011054
+O	 0.8788557089	 1.50503416	 2.6808581085	-0.329117
+C	-0.1299731374	 2.0530264435	 1.7821722628	-0.013427
+H	 1.7908161154	-0.6132647041	 0.8795734851	 0.126113
+H	 1.6177767864	-0.6372131412	-0.8993459416	 0.126235
+H	 1.8246272001	 0.9127768114	-0.0336654083	 0.125363
+H	-2.5539824501	-0.0682273701	 1.7118850865	 0.073628
+H	-3.8171814305	 1.9521150819	 0.8845734562	 0.116626
+H	-2.3294686085	 2.6138898705	 0.1926239426	 0.113945
+H	-3.0247263283	 1.1270215256	-0.464292996	 0.128349
+H	-1.7721134031	 2.0740667375	 3.485829218	 0.088062
+H	-0.0779619685	-0.3693778446	 3.3357302792	 0.093889
+H	 0.0554276375	 3.0237293447	 1.324726952	 0.095317
+19
+0 4955	2.2765366	1.8644264	1.2597258	1.4113	75.3	-0.23686	0.06293	0.29979	1046.0886	0.15626	-422.475204	-422.466807	-422.465863	-422.508079	31.88
+C	 1.3520928879	 0.0445958535	-0.0878809744	-0.269966
+O	-0.054418151	 0.1013475156	 0.1061312897	-0.297186
+C	-0.4272745497	 0.6737349319	 1.2959219614	 0.411313
+C	-0.151004837	 0.2284854777	 2.7510027361	 0.064187
+O	 1.1550209696	 0.2513625824	 3.2757060113	-0.446112
+C	-1.0654528556	 1.4636605357	 2.8892379793	-0.102482
+C	-1.900783464	 1.0568278965	 1.6258393412	-0.101924
+C	-1.761701075	 2.4569651548	 0.9939109173	-0.272048
+C	-0.4024716095	 2.2189429137	 1.6815428975	-0.146047
+H	 1.8453863783	-0.5210550172	 0.7110286313	 0.135265
+H	 1.5205655337	-0.45311655	-1.0449656371	 0.128572
+H	 1.7893227768	 1.0527553784	-0.1289719784	 0.10616
+H	-0.5842690846	-0.7318114937	 3.0480407933	 0.087056
+H	 1.5357010894	 1.1191303469	 3.1004378135	 0.2817
+H	-1.4615202285	 1.9298193624	 3.7888860987	 0.080609
+H	-2.7462370953	 0.3683065237	 1.6195473486	 0.077139
+H	-1.7574123703	 2.4993264879	-0.0986139529	 0.105053
+H	-2.3907720149	 3.2493737506	 1.4106099631	 0.092329
+H	 0.4612560798	 2.8848810692	 1.7260296506	 0.066381
+19
+0 4956	2.4272755	1.7370731	1.2436578	3.0203	75.56	-0.25199	0.06293	0.31492	1047.1111	0.156961	-422.487182	-422.478956	-422.478011	-422.519718	31.846
+O	 1.3619349808	 0.4495688194	-0.1867022374	-0.42787
+C	 0.1256849379	-0.2443315127	-0.2763507054	-0.197713
+C	-0.9673259461	 0.6626715651	-0.7659425434	 0.328594
+C	-1.4615989623	 1.9260544396	-0.0565083418	 0.046676
+O	-0.4359791512	 2.8913983718	 0.1078674479	-0.447253
+C	-2.2801973024	 1.907832254	-1.3587047118	-0.098645
+C	-2.4120292079	 0.3415278403	-1.2968903215	-0.113581
+C	-1.9200413522	 0.1798510098	-2.749198286	-0.270911
+C	-1.0763926873	 1.3406880231	-2.1880360614	-0.06811
+H	 1.1700169532	 1.3298895484	 0.1598469802	 0.295965
+H	 0.2809532887	-1.0828267967	-0.965951919	 0.104456
+H	-0.1628857475	-0.6755628458	 0.6981015288	 0.081372
+H	-2.0227824014	 1.7771153007	 0.8778989457	 0.062606
+H	-0.8066792236	 3.6866805991	 0.5021716011	 0.288555
+H	-3.0443554613	 2.5996788224	-1.7165622564	 0.06902
+H	-3.1811556388	-0.2143891966	-0.7580962553	 0.071501
+H	-1.3919750836	-0.7474394616	-2.9926303622	 0.097144
+H	-2.6362002835	 0.4290903525	-3.5385751144	 0.092256
+H	-0.2966666313	 1.9258056273	-2.6716464577	 0.085938
+19
+0 4957	2.5008443	1.627728	1.1495412	2.8101	74.46	-0.22165	0.06293	0.28458	1097.8588	0.155953	-422.488708	-422.480182	-422.479238	-422.521727	32.264
+C	 0.2722426483	 0.7855756971	-0.2705867836	-0.413004
+C	 0.6053421883	-0.6924146012	-0.1078081326	-0.075287
+C	 1.668078897	-1.2211877807	-1.1133318975	 0.063836
+O	 1.7631826137	-2.6383730922	-0.8022557879	-0.301289
+C	 2.4035222214	-2.2349456919	 0.409650528	 0.044095
+C	 2.7994483854	-0.8802430847	-0.0703725975	-0.190669
+C	 1.6699288403	-0.9954500044	 0.9550605354	 0.318945
+C	 1.6748900146	-0.6166374683	 2.4016629328	-0.220412
+O	 2.9317317843	-1.0021619953	 2.946361089	-0.42177
+H	-0.3180752493	 1.1585260673	 0.5730932697	 0.116294
+H	 1.1819276316	 1.3928971812	-0.3355634977	 0.117587
+H	-0.3133674505	 0.9543235432	-1.1808292881	 0.115709
+H	-0.3065033166	-1.3014479307	-0.0732761385	 0.070303
+H	 1.6303914214	-1.0032030094	-2.1796116517	 0.081827
+H	 2.9111310528	-2.9670101052	 1.0212449665	 0.118723
+H	 3.736090813	-0.341774807	-0.0930468738	 0.10043
+H	 1.5138228859	 0.4686979321	 2.5115735982	 0.090408
+H	 0.8428042668	-1.123278784	 2.9194784217	 0.092631
+H	 2.9441990117	-0.7603737557	 3.8767035375	 0.291644
+19
+0 4958	2.6556855	1.571282	1.2684415	2.097	73.79	-0.23362	0.07462	0.30824	1063.6133	0.156814	-422.500524	-422.492352	-422.491407	-422.533176	31.631
+C	 1.4320747863	 1.070519835	 0.0096513341	-0.377768
+C	 1.17078924	-0.4433384071	-0.0055667283	-0.319494
+C	 1.8378308151	-1.1276807562	-1.1638504159	 0.262175
+C	 1.2359077758	-1.234354149	-2.5700588101	 0.038761
+O	 2.3070770761	-1.3662956131	-3.5186141717	-0.311248
+C	 2.9151198192	-2.2839023772	-2.5549592871	 0.003874
+C	 1.5484681672	-2.4856123195	-1.8215048615	-0.218228
+C	 3.3425853476	-1.3172310469	-1.4204986975	 0.120516
+O	 4.1408783302	-0.2238390351	-1.769997696	-0.444599
+H	 0.9882396373	 1.5365940786	 0.8944362846	 0.109438
+H	 2.5055652465	 1.2782470639	 0.0095317795	 0.140971
+H	 1.003233316	 1.5504042215	-0.8762456021	 0.114444
+H	 1.5286939148	-0.8887166766	 0.9321114245	 0.102941
+H	 0.0901515226	-0.6355467575	-0.0375013493	 0.097108
+H	 0.3057027624	-0.7819553144	-2.8878466221	 0.11194
+H	 3.5734997274	-3.0193742826	-3.0114449237	 0.088486
+H	 0.9704871607	-3.3452744758	-1.5148848697	 0.104264
+H	 3.8218768142	-1.8441195638	-0.5908609325	 0.090771
+H	 3.8002079105	 0.0729462258	-2.6257257152	 0.285647
+19
+0 4959	2.4636051	1.6929303	1.2458568	1.511	74.8	-0.23264	0.0826	0.31524	1062.3178	0.156252	-422.490126	-422.481638	-422.480694	-422.523099	32.195
+C	 1.524209204	-0.0616499277	 0.1472094074	-0.262152
+O	 0.1062127162	-0.0131044482	 0.0756060393	-0.287895
+C	-0.4674159036	 0.7257668879	 1.0795640599	 0.392594
+C	-0.7134472977	 0.1533711937	 2.4878313298	-0.132917
+C	-0.9406245484	 1.3325796751	 3.4329649642	-0.242428
+C	-1.6667672352	 2.0002228901	 2.2344541756	-0.103706
+C	-1.8735550547	 0.5631500896	 1.5947307584	-0.18896
+C	-0.5359135797	 2.2522352593	 1.1882677705	 0.088227
+O	-0.9487882146	 2.8867287606	 0.0009427767	-0.448324
+H	 1.8607222102	-0.5040406368	 1.0946271839	 0.112227
+H	 1.8623044352	-0.6846124461	-0.683322318	 0.129165
+H	 1.9662007625	 0.9384399402	 0.0472969536	 0.122652
+H	-0.3998637011	-0.8581631545	 2.7156385838	 0.091139
+H	-1.6294283188	 1.0734494531	 4.2423780166	 0.102647
+H	-0.0705624449	 1.8563732594	 3.8472047616	 0.089299
+H	-2.4342592644	 2.7595713326	 2.366214026	 0.078697
+H	-2.725275707	 0.0069734386	 1.2323934077	 0.099075
+H	 0.3392707926	 2.8087449533	 1.5423452974	 0.076433
+H	-1.5407766105	 2.28238732	-0.4629500644	 0.284226
+19
+0 4960	2.5759017	1.6386257	1.2919202	0.9855	74.16	-0.2163	0.08064	0.29694	1052.2535	0.155532	-422.473307	-422.464794	-422.46385	-422.506344	32.034
+C	 1.486702737	-0.1993141033	 0.2597503437	-0.258259
+O	 0.1074184393	 0.102022384	 0.0963062093	-0.284419
+C	-0.455645833	 0.7745505583	 1.1500588493	 0.361449
+C	-0.8311362553	 0.08611271	 2.4861224838	 0.010063
+O	-0.9393143907	 1.096091243	 3.4890921991	-0.289638
+C	-1.5771812898	 1.9134530843	 2.4604495312	 0.046977
+C	-1.8987976286	 0.6410243146	 1.5976423247	-0.21623
+C	-0.4217961442	 2.2784421844	 1.4804839937	-0.05371
+C	 0.820762402	 2.9561267882	 2.0384454146	-0.426163
+H	 1.6664831174	-0.7590393892	 1.1871149074	 0.113807
+H	 1.7787846463	-0.8124233453	-0.5955138043	 0.129181
+H	 2.102170891	 0.7092007278	 0.2737123379	 0.120229
+H	-0.5654684506	-0.9255419382	 2.763150575	 0.111189
+H	-2.2692077131	 2.6533281076	 2.8565427207	 0.086054
+H	-2.7853548679	 0.2337574407	 1.13328282	 0.107619
+H	-0.8426764814	 2.8290980548	 0.6319688687	 0.080986
+H	 1.1921778396	 2.4147702954	 2.9117171985	 0.133809
+H	 1.6183812327	 3.0041030253	 1.289833545	 0.114219
+H	 0.5986633893	 3.9847764877	 2.3450504216	 0.112836
+19
+0 4961	2.6262488	1.5808677	1.262894	2.0948	74.23	-0.2537	0.06392	0.31762	1051.2723	0.157522	-422.512524	-422.504289	-422.503345	-422.545224	31.9
+O	 1.4581939761	 0.6511286474	-0.5458577719	-0.423143
+C	 0.1496684158	 0.3831720981	-0.0525220524	-0.19758
+C	-0.8456112074	 0.3399670279	-1.1709669923	 0.296726
+C	-1.559986563	 1.5807642063	-1.7316272441	-0.111021
+C	-1.978829658	 1.2855499691	-3.1709822703	-0.254132
+C	-2.2529849586	-0.1613301058	-2.6824256138	-0.109977
+C	-2.3583638113	 0.4092147992	-1.206871268	-0.157659
+C	-0.8557243876	-0.708715132	-2.2730272559	 0.097206
+O	 0.2197329857	-0.7769425031	-3.1884278165	-0.448354
+H	 1.6183486207	 0.0233181373	-1.2606771753	 0.286495
+H	 0.1276027532	-0.5682071112	 0.5044696825	 0.087503
+H	-0.0836194032	 1.1813855441	 0.6607756318	 0.106196
+H	-1.4136489609	 2.5440916894	-1.2597029512	 0.092858
+H	-2.9085100529	 1.8003502335	-3.4270630519	 0.108071
+H	-1.260523139	 1.430065039	-3.9898710516	 0.078206
+H	-2.9755423498	-0.7985215015	-3.1872840939	 0.074494
+H	-3.0986245134	 0.3157803605	-0.4266041701	 0.098014
+H	-0.9468145516	-1.7136442321	-1.8494583717	 0.08952
+H	 0.3382238151	 0.098391754	-3.5732632235	 0.286575
+19
+0 4962	2.4480392	1.5826963	1.3164959	1.4709	74.92	-0.22988	0.07062	0.3005	1058.8137	0.155893	-422.49826	-422.489657	-422.488713	-422.531385	32.615
+C	 2.2277915053	-3.7650613379	 1.3580359572	-0.502078
+C	 0.8341534672	-3.3780249501	 1.7386147259	 0.374726
+C	-0.4332702281	-4.2376219322	 1.4655886969	-0.265869
+C	-1.2105880337	-2.9391566546	 1.6731659686	-0.187811
+C	-0.4027020044	-2.1852770557	 2.7428357274	 0.032945
+O	 0.6757709964	-3.018548494	 3.1519225529	-0.331931
+C	 0.0077976419	-2.0896485131	 1.309886546	 0.228917
+C	 0.2557298159	-0.9646037757	 0.3655726486	-0.217773
+O	 1.4682704219	-0.2745447899	 0.6443881842	-0.41196
+H	 2.5584511776	-4.618555711	 1.9598486877	 0.13133
+H	 2.2716342123	-4.0501207412	 0.3025963499	 0.122917
+H	 2.9158387261	-2.931666862	 1.5204933209	 0.13921
+H	-0.4789956032	-4.5706779424	 0.4253343562	 0.101568
+H	-0.6056154194	-5.0760304567	 2.1479676577	 0.09892
+H	-2.2528157427	-2.7259860382	 1.470694094	 0.091693
+H	-0.8149346816	-1.4674811858	 3.4409587012	 0.104372
+H	 0.3598375474	-1.3303890069	-0.6625224097	 0.113629
+H	-0.6125295695	-0.2843660256	 0.375615363	 0.091963
+H	 1.4470824707	-0.026408127	 1.5748797212	 0.285231
+19
+0 4963	2.4907686	1.6126786	1.3518712	1.0855	75.3	-0.22393	0.07927	0.30319999999999997	1053.4122	0.15517	-422.479768	-422.471091	-422.470146	-422.512955	32.53
+C	 1.3347039789	-0.3756173514	-0.1356677498	-0.256741
+O	-0.055068107	-0.0800617982	-0.0397948764	-0.275226
+C	-0.3944193657	 0.6218766636	 1.0741883943	 0.319247
+C	-1.7101271145	 0.6841611438	 1.8110797218	-0.190085
+C	-1.7608525179	 2.2062734197	 1.7412453097	-0.260532
+C	-0.2140755352	 2.1426560494	 1.5902249945	 0.329643
+C	 0.6175926801	 3.2684307764	 1.0603543862	-0.506804
+O	 0.2167801563	 1.6369539578	 2.8901071055	-0.316417
+C	-0.3658479751	 0.3867700045	 2.5473993934	-0.010455
+H	 1.6796723774	-0.9363591276	 0.7420820356	 0.120308
+H	 1.4659265704	-0.9833341588	-1.033170332	 0.130543
+H	 1.9342752226	 0.5386538301	-0.2297236519	 0.120879
+H	-2.5170217652	-0.0368555338	 1.791917561	 0.09536
+H	-2.2446830868	 2.5500945685	 0.8232177024	 0.104425
+H	-2.1277755488	 2.7662276679	 2.6071531818	 0.097763
+H	 0.5223160668	 4.1456508476	 1.7105818498	 0.133321
+H	 1.6745542006	 2.991069673	 1.017289157	 0.128591
+H	 0.2863175863	 3.5501196593	 0.0564946362	 0.127335
+H	-0.1892226434	-0.4775984719	 3.172960411	 0.108845
+19
+0 4964	2.4318767	1.6556777	1.3887879	1.525	75.32	-0.22474	0.06939	0.29413	1032.3331	0.155773	-422.491328	-422.482641	-422.481697	-422.524503	32.729
+C	 1.4441551161	-0.2747237818	-0.0413195002	-0.263512
+O	 0.0359710561	-0.0659765632	-0.0063236189	-0.27565
+C	-0.3814733583	 0.6129715507	 1.0945175521	 0.393001
+C	-1.7400380066	 0.7016497572	 1.7074717121	-0.147012
+C	-1.7562033805	 2.2291048768	 1.6489689834	-0.294125
+C	-0.2033086517	 2.1266469933	 1.590539821	 0.302597
+O	 0.5774928131	 3.0504521731	 0.9131727941	-0.482515
+C	 0.1936574725	 1.5727327214	 2.9905834495	-0.287669
+C	-0.5031252686	 0.2820256321	 2.5640505125	-0.154373
+H	 1.7752086415	-0.8730271632	 0.8182377601	 0.111764
+H	 1.6597335492	-0.8164838215	-0.9644726978	 0.126704
+H	 1.9846063677	 0.6795529886	-0.0440172752	 0.134708
+H	-2.5650589491	 0.0146434368	 1.5748168446	 0.093258
+H	-2.160536198	 2.5853103635	 0.6977434399	 0.107744
+H	-2.1960106701	 2.788215676	 2.4836394071	 0.08238
+H	 0.4889133322	 3.9074576537	 1.3460512925	 0.280956
+H	 1.2764709587	 1.4419339125	 3.0692115058	 0.099453
+H	-0.1859569529	 2.1109595086	 3.8675147034	 0.083199
+H	-0.4807030913	-0.6876485348	 3.0432819739	 0.089093
+19
+0 4965	2.4151636	1.6271838	1.3606991	2.2063	75.52	-0.23913	0.06	0.29913	1035.6288	0.156733	-422.513103	-422.504576	-422.503632	-422.54654	32.575
+O	 1.6805719433	 0.3802667297	-0.0279499548	-0.428895
+C	 0.267594742	 0.5446968603	 0.1313522095	-0.257771
+C	-0.2698691933	 0.9848370297	-1.1772968862	 0.321064
+C	-1.583388903	 1.5213468768	-1.6872234735	-0.148485
+C	-1.685317189	 0.4400699214	-2.7666572128	-0.267482
+C	-0.1522572066	 0.3134482693	-2.6214004679	 0.356039
+O	 0.4259085655	-0.9068761907	-2.9137084167	-0.477653
+C	 0.4024322833	 1.6643172415	-3.1570582889	-0.293226
+C	-0.2694936693	 2.2888405602	-1.9341355991	-0.113279
+H	 2.0273162276	-0.0126305307	 0.779167919	 0.28767
+H	-0.1960503119	-0.4075643253	 0.4350245397	 0.095328
+H	 0.0357892882	 1.2868768852	 0.9122259481	 0.092845
+H	-2.3865406621	 1.9627069804	-1.1106286297	 0.084843
+H	-2.1863593092	-0.4551435807	-2.3889008545	 0.102747
+H	-2.0813719557	 0.7049424375	-3.7533894295	 0.089295
+H	 1.3308405141	-0.882593735	-2.5808794306	 0.286857
+H	 1.4921325919	 1.7075306827	-3.0656011256	 0.098546
+H	 0.095748819	 1.9771467297	-4.1619723138	 0.087024
+H	-0.1200856749	 3.2801262179	-1.5258600327	 0.084534
+19
+0 4966	2.6539665	1.3932725	1.1504741	2.0198	74.59	-0.22984	0.06521	0.29505	1138.6118	0.156158	-422.488317	-422.479744	-422.478799	-422.521647	32.189
+C	 1.3613139424	 1.1997455555	 0.0002386999	-0.411875
+C	 1.0543141894	-0.2893253606	 0.0931770351	 0.011328
+C	 1.7501152837	-1.1515178745	-0.9649979685	-0.174601
+C	 2.002728649	-2.4964002583	-0.2631766314	 0.022499
+O	 1.4276750553	-2.427783246	 1.0420567607	-0.293479
+C	 1.9398912495	-1.0693294076	 1.1045931891	-0.002933
+C	 2.969670547	-1.379049268	-0.0648126988	 0.278191
+C	 4.4411890668	-1.2310084274	-0.2623592436	-0.226032
+O	 5.2203057279	-2.0988115229	 0.5499465018	-0.407561
+H	 1.0115736372	 1.7278439616	 0.8941704359	 0.116352
+H	 2.4370996036	 1.3810344989	-0.1018167134	 0.115012
+H	 0.8668875983	 1.6510026156	-0.8660594149	 0.120875
+H	-0.0193234605	-0.4615096271	 0.2329851652	 0.075021
+H	 1.7330203473	-1.0479318989	-2.0436043404	 0.089938
+H	 2.0891962358	-3.4563187731	-0.7547189132	 0.113151
+H	 2.1283936155	-0.7170729279	 2.1187862897	 0.080026
+H	 4.6917891819	-1.489140442	-1.2976361893	 0.116331
+H	 4.7387898972	-0.179543663	-0.1159738804	 0.092282
+H	 4.9674170226	-1.9508558441	 1.4668007765	 0.285474
+19
+0 4967	2.2971369	1.6855873	1.2070534	2.8349	74.28	-0.22442	0.05893	0.28335	1087.5796	0.156156	-422.490628	-422.482191	-422.481247	-422.523634	32.207
+C	 1.4250082178	-0.6450384252	 1.0740245259	-0.389484
+C	 1.0821662766	 0.015769057	-0.2680162114	-0.331272
+C	 1.8046527108	-0.5854959178	-1.432497259	 0.283649
+C	 1.6226494805	-0.5583857112	-2.9080056149	 0.01944
+O	 2.9595142318	-0.1600427218	-3.2257752903	-0.293521
+C	 3.3197436262	-0.6547886749	-1.9084892986	-0.028139
+C	 3.1733798551	-2.1984701158	-2.0411055771	 0.152125
+O	 3.5229453749	-2.9233674508	-0.8844895593	-0.442492
+C	 1.6793660825	-1.9203972551	-2.2009998097	-0.220562
+H	 1.1302540513	-1.700928515	 1.0798388051	 0.118302
+H	 2.4998165885	-0.5898488635	 1.2798142305	 0.125088
+H	 0.9047582001	-0.1542613214	 1.9017679962	 0.119891
+H	 0.0023372751	-0.059681187	-0.4494980577	 0.108297
+H	 1.3078327912	 1.0888634988	-0.2176911266	 0.114358
+H	 0.8062676253	-0.2231835191	-3.5354049836	 0.110706
+H	 4.2011281874	-0.1864340697	-1.4731185589	 0.087799
+H	 3.7173996725	-2.6544189475	-2.8729792613	 0.092501
+H	 2.9280527547	-2.6558870288	-0.1740096325	 0.281242
+H	 0.8562781376	-2.6250912713	-2.2125635769	 0.092072
+19
+0 4968	2.2577408	1.7819453	1.2505438	1.158	75.23	-0.23492	0.06208	0.297	1060.227	0.156466	-422.487959	-422.479565	-422.478621	-422.520761	32.077
+C	 1.44558693	-0.2682639074	-0.0122767999	-0.266051
+O	 0.044805517	-0.0532301922	 0.0464130229	-0.27179
+C	-0.3607319308	 0.6634345657	 1.1312317787	 0.40328
+C	-1.71017977	 0.7136142306	 1.7648884518	-0.1425
+C	-1.7827126545	 2.2384030744	 1.6645360644	-0.238253
+C	-0.2339539497	 2.2038415195	 1.5762401257	-0.180678
+C	 0.2063477879	 1.6891644915	 2.9788312592	 0.168555
+O	 1.6000523155	 1.6123648046	 3.1823218796	-0.445672
+C	-0.4562120888	 0.3627448422	 2.6190898539	-0.207075
+H	 1.7959369673	-0.8445951096	 0.8563051784	 0.112669
+H	 1.6444559901	-0.8383227156	-0.9219124428	 0.134114
+H	 1.9965307017	 0.6815961139	-0.0593923554	 0.119175
+H	-2.5057723663	-0.0136188803	 1.6623322374	 0.094327
+H	-2.2487129735	 2.5535156661	 0.7272146696	 0.106373
+H	-2.2162305812	 2.8018210403	 2.4987362047	 0.092466
+H	 0.3365552473	 2.9932616516	 1.0911135627	 0.076454
+H	-0.187032739	 2.2481903448	 3.8343663556	 0.081253
+H	 1.9571470257	 0.9923142723	 2.5359656442	 0.272484
+H	-0.3924957987	-0.5863199925	 3.1370146692	 0.090866
+19
+0 4969	2.2875331	1.7473596	1.2264179	2.551	74.87	-0.22999	0.07561	0.3056	1078.5693	0.155696	-422.470627	-422.462185	-422.461241	-422.503531	31.95
+C	 1.4322561475	-0.0255797698	-0.1721818496	-0.25382
+O	 0.0424905602	-0.1952978743	 0.0732900143	-0.275567
+C	-0.4390520615	 0.487458938	 1.1448335383	 0.367231
+C	-1.8086066537	 0.9531031458	 1.4421994968	-0.013787
+O	-1.9133312733	 0.3401272226	 2.7241157714	-0.286515
+C	-0.4608822746	 0.2926143389	 2.7399170634	-0.026651
+C	-0.0505836492	 1.7847107265	 2.8962469171	 0.02823
+C	 1.4450017255	 2.0347163132	 3.0322869204	-0.41794
+C	-0.6214048628	 1.9676277744	 1.4888486075	-0.206984
+H	 2.037994346	-0.4455202855	 0.6420508787	 0.11853
+H	 1.6556422763	-0.5641143206	-1.095183399	 0.131273
+H	 1.6871668264	 1.0346303809	-0.2956305365	 0.119091
+H	-2.6912290558	 1.0709459774	 0.8283876651	 0.115009
+H	-0.0520871623	-0.506041381	 3.356868866	 0.086309
+H	-0.6031478479	 2.2833896142	 3.7006557481	 0.077501
+H	 1.8077211788	 1.704813772	 4.0121425706	 0.116441
+H	 2.015872735	 1.5016601517	 2.264596074	 0.111734
+H	 1.6767251756	 3.1003468296	 2.9345602464	 0.119745
+H	-0.5913059501	 2.8348886961	 0.8405524771	 0.090172
+19
+0 4970	2.361049	1.7416479	1.256126	2.566	74.96	-0.24267	0.06117	0.30384	1046.3412	0.158028	-422.507759	-422.499741	-422.498797	-422.540117	31.443
+O	 1.5566798194	 0.8983501668	 0.0259500594	-0.407944
+C	 0.2248129283	 0.3700151337	 0.125613122	-0.245249
+C	-0.6672774727	 0.9609112545	-0.9074008304	 0.338337
+C	-2.1250547235	 1.3321849912	-1.0335908403	-0.147993
+C	-2.2298082746	 0.6987809526	-2.4217029534	-0.243803
+C	-0.6899424608	 0.8611208852	-2.4970730444	-0.145918
+C	-0.4384094136	 2.3913948412	-2.5245192991	 0.161431
+O	 0.930403158	 2.7325156825	-2.5378347941	-0.45813
+C	-1.0501912148	 2.4207409013	-1.1206644826	-0.153572
+H	 1.5270555246	 1.8000852489	 0.3645436634	 0.287107
+H	 0.3335437016	-0.7110962897	-0.0094147498	 0.121212
+H	-0.1872737337	 0.5357513586	 1.1314671963	 0.101367
+H	-2.8731038482	 1.3590261604	-0.2498726067	 0.089239
+H	-2.532507273	-0.3502690315	-2.3625544305	 0.101968
+H	-2.8251513121	 1.2107677392	-3.1863413979	 0.093151
+H	-0.0731470475	 0.2090299095	-3.113080391	 0.077636
+H	-0.9063395231	 2.9743858889	-3.3248892057	 0.074381
+H	 1.3771085126	 2.1456151899	-1.9085889904	 0.274072
+H	-1.0030430771	 3.2262596365	-0.3967768449	 0.082705
+19
+0 4971	2.4332251	1.5116661	1.1905881	2.047	75.22	-0.22828	0.0712	0.29948	1114.7022	0.156149	-422.492057	-422.483445	-422.482501	-422.525257	32.438
+C	-1.7716456148	-3.243639169	 1.2388466234	-0.507874
+C	-0.2909916074	-3.276930334	 1.4736742566	 0.2241
+C	 0.7112860534	-4.3676256257	 1.0825180043	-0.282311
+C	 1.7986553866	-3.3445808776	 1.4915766322	 0.020065
+O	 1.628943259	-3.225530105	 2.9343968386	-0.296152
+C	 0.4018401688	-2.5592211679	 2.6484383842	-0.015516
+C	 0.7606488681	-2.1801010406	 1.2419608631	 0.227526
+C	 0.7824847305	-0.897041519	 0.4840397545	-0.21459
+O	 1.8315965893	-0.0284822172	 0.8900247918	-0.410807
+H	-2.2077544645	-2.2918219621	 1.561742675	 0.119388
+H	-2.0165201168	-3.3760764343	 0.1789521165	 0.122989
+H	-2.2727930322	-4.0416776725	 1.7987894207	 0.128233
+H	 0.7068287236	-5.3165410639	 1.6291806979	 0.098702
+H	 0.7026088285	-4.5452084226	 0.0032899703	 0.101333
+H	 2.8381332633	-3.4060895323	 1.1778288344	 0.09276
+H	-0.1184148803	-2.0380127816	 3.4431852083	 0.102881
+H	 0.951035168	-1.0772548042	-0.5841120726	 0.113531
+H	-0.2039667946	-0.4113442908	 0.5734007311	 0.090343
+H	 1.7915707017	 0.0389331104	 1.8500441195	 0.285399
+19
+0 4972	2.5399427	1.4843056	1.1908441	1.8816	75.28	-0.22735	0.06888	0.29623	1112.1346	0.15612	-422.496458	-422.487842	-422.486898	-422.529694	32.478
+C	-1.453971841	-3.641973204	 0.5552995973	-0.508563
+C	 0.0286280008	-3.5415065005	 0.6756671227	 0.415927
+O	 0.8507531646	-4.4021692033	-0.1186984467	-0.331705
+C	 1.9751111347	-3.5614298908	 0.2692794697	 0.025567
+C	 2.1756783185	-3.896828105	 1.7678415316	-0.234213
+C	 0.817940665	-3.222326681	 1.9629790451	-0.224463
+C	 0.9915123165	-2.3961808826	 0.6739406567	 0.222553
+C	 0.9109742234	-0.9340193654	 0.3990510653	-0.222828
+O	 1.9757541875	-0.1950452326	 0.987534517	-0.410234
+H	-1.9410062518	-2.887433681	 1.1800404682	 0.125284
+H	-1.7745517794	-3.4943827951	-0.4805673432	 0.133313
+H	-1.7986942049	-4.6281603877	 0.8839714136	 0.136438
+H	 2.7826434863	-3.5461825036	-0.4593416628	 0.090467
+H	 2.2851792476	-4.9571875221	 2.0153179414	 0.10087
+H	 2.9852983672	-3.3097035239	 2.2090024942	 0.102626
+H	 0.3242318469	-2.9307664636	 2.8827871226	 0.086438
+H	 0.9816109238	-0.7385915326	-0.676645987	 0.12034
+H	-0.0708054948	-0.5575405338	 0.7313957083	 0.090636
+H	 1.9608770892	-0.3808906514	 1.9324979058	 0.281548
+19
+0 4973	2.3051174	1.5547965	1.2699396	2.8852	74.55	-0.22125	0.05354	0.27479	1096.1524	0.156001	-422.490764	-422.482249	-422.481305	-422.523885	32.484
+C	 2.5570273852	-1.1059304632	 1.1220039708	-0.372346
+C	 1.8831818199	-0.1564127645	 0.1210818021	-0.341689
+C	 2.1054845056	-0.5383538648	-1.3073570337	 0.233538
+C	 1.5236871686	-0.1014703792	-2.6190359496	-0.018746
+O	 2.771702874	 0.1880823821	-3.2481129627	-0.293983
+C	 3.366399489	-0.6943869816	-2.2529939041	 0.012344
+C	 2.8797316746	-2.1071863482	-2.6769293147	-0.300661
+C	 1.5049628231	-1.5911789913	-2.2573704017	 0.289274
+O	 0.3013406597	-2.2553309941	-2.1786073976	-0.458345
+H	 2.3701981754	-0.7883325706	 2.1522149729	 0.116508
+H	 2.1824921572	-2.1294391648	 1.0128522467	 0.108255
+H	 3.6416922184	-1.1320632336	 0.9729785739	 0.119819
+H	 0.8010801407	-0.1351454206	 0.3041735546	 0.110085
+H	 2.2394067911	 0.8682132333	 0.2905851769	 0.111258
+H	 0.6421513303	 0.4745314034	-2.8704030098	 0.110309
+H	 4.4081473659	-0.47324313	-2.0304770261	 0.08776
+H	 3.0529812321	-2.3881490374	-3.7205154776	 0.104241
+H	 3.2483764581	-2.8819754197	-1.9974617085	 0.094128
+H	 0.3781992109	-2.9543808652	-1.5195262718	 0.288252
+19
+0 4974	2.4164645	1.6234903	1.2712465	1.5997	75.52	-0.22316	0.07407	0.29723	1074.463	0.1562	-422.486764	-422.478228	-422.477284	-422.519766	32.419
+C	 1.4439766334	-0.2847407341	 0.0452947297	-0.25518
+O	 0.0448062839	-0.0446538522	 0.122893913	-0.283087
+C	-0.3427582825	 0.6346070268	 1.2359688113	 0.346094
+C	-0.3351477054	 0.3243371505	 2.7261065502	-0.190285
+C	 0.2837097594	 1.6746972343	 3.0695244217	-0.222182
+C	-0.2652299371	 2.1671804357	 1.7013020146	-0.14564
+C	-1.8149131286	 2.1330419117	 1.8847926434	-0.290436
+C	-1.6564528838	 0.6184634697	 1.9596953052	 0.318404
+O	-2.6321071961	-0.3553204179	 1.9656795306	-0.467836
+H	 1.7943051624	-0.8570669166	 0.9138381191	 0.118843
+H	 1.617324406	-0.8612053213	-0.8658339178	 0.12891
+H	 2.0085199128	 0.6557897188	-0.0115620898	 0.115379
+H	-0.2298478525	-0.6359491177	 3.2143901213	 0.092501
+H	-0.0770447329	 2.202618971	 3.9595652908	 0.090985
+H	 1.3765730589	 1.6299904762	 3.0882566666	 0.095007
+H	 0.203414268	 2.9852194699	 1.1591206808	 0.074117
+H	-2.2279850026	 2.6689403601	 2.7468277299	 0.091887
+H	-2.3373364556	 2.4368713111	 0.9718307305	 0.093185
+H	-3.0059030477	-0.4114008659	 1.0791337489	 0.289334
+19
+0 4975	2.332611	1.6736304	1.3286962	1.0848	75.68	-0.2202	0.0809	0.30110000000000003	1064.613	0.155519	-422.478173	-422.469522	-422.468578	-422.511333	32.324
+C	 1.4118022581	-0.0774177794	-0.2134156879	-0.256537
+O	 0.0095108337	 0.1256309631	-0.0720354619	-0.273115
+C	-0.345200762	 0.6466655196	 1.132854784	 0.315677
+C	-1.6920988836	 0.6499349472	 1.8204035097	-0.224707
+C	-1.6876611914	 2.1692530792	 1.9680319559	-0.233343
+C	-0.1449396784	 2.0499471854	 1.8818185831	-0.017568
+O	 0.2175669363	 1.34889028	 3.0982281608	-0.313173
+C	-0.3892283852	 0.1754032426	 2.5542491935	 0.365849
+C	-0.2179670654	-1.1337819906	 3.2445734496	-0.514969
+H	 1.7904903936	-0.7748549074	 0.5441785484	 0.121176
+H	 1.5713003245	-0.4973437458	-1.2084098968	 0.130926
+H	 1.9608803231	 0.8693807508	-0.1283502702	 0.120099
+H	-2.5215696503	-0.0266696848	 1.6574989105	 0.093461
+H	-2.1084856933	 2.6588953804	 1.0859143277	 0.106674
+H	-2.0801346881	 2.6185501607	 2.8852861736	 0.100034
+H	 0.5098745726	 2.8867653387	 1.6480666744	 0.085464
+H	-0.7066477384	-1.128611631	 4.2249119036	 0.133627
+H	-0.6640290495	-1.9343542111	 2.6471030543	 0.131106
+H	 0.8420563438	-1.3635622674	 3.3927985174	 0.129317
+19
+0 4976	2.3024989	1.6651314	1.3183826	2.6088	75.22	-0.22725	0.07086	0.29811	1066.4706	0.155391	-422.473247	-422.464555	-422.46361	-422.506516	32.362
+C	 1.4730760462	-0.1300765144	-0.1158075975	-0.258666
+O	 0.0566310263	-0.1919806327	 0.0040813809	-0.273675
+C	-0.4367422336	 0.48697378	 1.0744929347	 0.333289
+C	-1.7926600495	 1.0091311315	 1.3559521364	-0.04594
+O	-1.953572865	 0.3624250347	 2.6147798295	-0.28861
+C	-0.5046902505	 0.2461270314	 2.6565738993	-0.013722
+C	-0.0293267369	 1.7063985232	 2.8578909189	-0.275681
+C	-0.5575549823	 1.9699914507	 1.4469815518	 0.201896
+C	-0.4301343343	 3.1984358883	 0.5975928347	-0.512907
+H	 1.9671432476	-0.5985432125	 0.7461240856	 0.116916
+H	 1.7377761633	-0.680417818	-1.0206274077	 0.133561
+H	 1.8210525864	 0.9069751473	-0.2042387572	 0.11916
+H	-2.6556715994	 1.1896807151	 0.7287068645	 0.110945
+H	-0.1497984103	-0.5914463156	 3.2531626166	 0.088286
+H	-0.4871183964	 2.2360403297	 3.6996732444	 0.10006
+H	 1.0610335597	 1.7856385591	 2.9015369113	 0.095223
+H	-0.9868280406	 4.0391949233	 1.0276958663	 0.126144
+H	 0.6149193155	 3.5122552103	 0.4932334605	 0.118641
+H	-0.8222560461	 3.0220032484	-0.4100828329	 0.125081
+19
+0 4977	2.4245826	1.53826	1.2140864	0.5307	75.99	-0.23386	0.07201	0.30587000000000003	1094.2575	0.156668	-422.505598	-422.497032	-422.496088	-422.538697	32.668
+O	 1.816806286	 0.6007869385	-0.0496799074	-0.422257
+C	 0.4471807768	 0.2024427146	-0.0515868106	-0.249701
+C	-0.0476150414	 0.1836712708	-1.4489896629	 0.344376
+C	-0.2888178767	 1.3027634818	-2.4540290101	-0.178427
+C	 0.5462248893	 0.5993123478	-3.5190186149	-0.231585
+C	 0.253785718	-0.7060367631	-2.7276518959	-0.11503
+C	-1.2812374987	-0.9229829475	-2.8896017839	-0.295055
+C	-1.420171768	 0.3396495212	-2.0444953051	 0.325422
+O	-2.5370584306	 0.7805713062	-1.3614593483	-0.469426
+H	 2.1392838808	 0.5395468907	 0.8548499672	 0.284129
+H	 0.3315670966	-0.7945344953	 0.4043501373	 0.088803
+H	-0.1754223841	 0.8998437081	 0.5313957825	 0.099326
+H	-0.3717001177	 2.3598883363	-2.231880576	 0.084138
+H	 0.2158258456	 0.6369176215	-4.5641941968	 0.081223
+H	 1.5988208736	 0.8861820227	-3.4515601005	 0.11085
+H	 0.9357042183	-1.5524070331	-2.7627747908	 0.075161
+H	-1.6865876014	-0.9370848082	-3.9088792187	 0.081371
+H	-1.6290173026	-1.8009505917	-2.3377601111	 0.10099
+H	-3.0453159039	 1.3530694785	-1.9465604141	 0.285693
+19
+0 4978	2.7788586	1.5316318	1.5060984	2.3278	74.47	-0.23911	0.06992	0.30902999999999997	1005.7441	0.157261	-422.493482	-422.485694	-422.48475	-422.52567	30.109
+C	 1.3873233191	-0.0344631931	 0.0350514539	-0.267084
+O	-0.0242336014	 0.0303849163	 0.1499831588	-0.292795
+C	-0.4641331489	 0.6850309708	 1.2673040652	 0.404754
+C	-0.2436140606	 0.3181147798	 2.8064814655	-0.137215
+C	-1.7855287686	 0.1786936406	 2.9357685437	-0.239203
+C	-1.9659132174	 0.9028854826	 1.5804119842	 0.035212
+O	-1.7726949049	 2.3304892877	 1.701582004	-0.30167
+C	-0.3335706961	 2.2010451792	 1.6664646193	 0.021638
+C	 0.2321175789	 1.7766934283	 3.0413527402	-0.232532
+H	 1.8369685914	-0.5586944088	 0.8894247052	 0.11713
+H	 1.6075053346	-0.5877013923	-0.8798288088	 0.134382
+H	 1.8310771824	 0.9683581271	-0.037458364	 0.116496
+H	 0.3779805055	-0.4948054544	 3.1801409785	 0.070859
+H	-2.0913406476	-0.8692307054	 2.8504075677	 0.104807
+H	-2.2730205534	 0.6322618756	 3.8024508452	 0.1027
+H	-2.8020319154	 0.6505018337	 0.9266582658	 0.083539
+H	 0.1375689199	 3.0098986512	 1.1047215012	 0.078445
+H	 1.3261419799	 1.8365079792	 3.0381365775	 0.097117
+H	-0.1584822275	 2.3093652221	 3.9121775468	 0.103418
+19
+0 4979	2.7871272	1.46884	1.4414249	2.4975	74.65	-0.23379	0.06234	0.29613	1021.1747	0.157694	-422.507797	-422.49994	-422.498996	-422.540165	30.343
+O	 1.0247620253	 0.8006125717	-0.7258847762	-0.422446
+C	-0.0815662581	 0.4274361678	 0.0878769344	-0.254419
+C	-1.3226358362	 0.636567133	-0.7152279376	 0.372855
+C	-1.8427878142	 1.990127801	-1.3502554471	-0.102793
+C	-3.1809006106	 1.7972206187	-0.5859791366	-0.241534
+C	-2.7942126754	 0.3252167775	-0.3095803814	 0.03214
+O	-2.9826671195	-0.5090334246	-1.4734947284	-0.310075
+C	-1.722216369	-0.0758948539	-2.0406919734	 0.062674
+C	-1.8452123638	 1.2964169168	-2.7389498116	-0.238773
+H	 1.8313397015	 0.6564188693	-0.2222599889	 0.290289
+H	-0.0135213736	-0.6290534275	 0.3968223736	 0.094148
+H	-0.1226855241	 1.0344987501	 1.0080934784	 0.088264
+H	-1.3269267166	 2.9448409857	-1.2554616933	 0.073099
+H	-3.1858538706	 2.3723040545	 0.3465279975	 0.097564
+H	-4.1184075583	 1.9682937198	-1.122201295	 0.100748
+H	-3.1325230127	-0.1656909435	 0.6064471952	 0.072816
+H	-1.1888362041	-0.8936708612	-2.5291516808	 0.077561
+H	-0.9229963785	 1.5244919796	-3.2824928528	 0.111284
+H	-2.7084320316	 1.4441340054	-3.3937760162	 0.096598
+19
+0 4980	2.7666201	1.5115947	1.3528117	2.4458	73.7	-0.2142	0.06941	0.28361000000000003	1048.8179	0.157358	-422.509481	-422.501591	-422.500646	-422.542117	30.18
+C	 0.5520339415	-1.4639780412	 0.3362235367	-0.377186
+C	 1.3698670303	-2.5372458233	-0.3962050749	-0.322317
+C	 2.1927088553	-1.98478432	-1.5237781489	 0.241294
+C	 2.9315269007	-2.5661079686	-2.7085044444	-0.012137
+O	 4.1350459481	-1.836979581	-2.468086669	-0.302505
+C	 3.4241307679	-1.0356966714	-1.472566669	 0.00958
+C	 2.9635867535	 0.2291853399	-2.178281564	-0.077431
+O	 2.1133260465	-0.252373578	-3.2288915216	-0.267749
+C	 1.7845359237	-1.5850766558	-2.9146568449	 0.03152
+H	-0.0384839469	-1.9048587701	 1.1448155872	 0.116196
+H	 1.2023046836	-0.7017123682	 0.7791824279	 0.11759
+H	-0.1348339993	-0.9572423999	-0.3491018235	 0.125905
+H	 2.0240215915	-3.055471568	 0.31719848	 0.105532
+H	 0.6942313492	-3.3026836558	-0.7976677054	 0.104555
+H	 3.0091058873	-3.5690964568	-3.1145272602	 0.103014
+H	 3.989835296	-0.9139272081	-0.5472270696	 0.086038
+H	 2.4078364977	 0.8978710546	-1.5017112342	 0.092392
+H	 3.7981216933	 0.7764716193	-2.6263057668	 0.120188
+H	 0.85415516	-1.9241070676	-3.3557948254	 0.105521
+19
+0 4981	2.7498531	1.5890346	1.4119681	1.2758	74.17	-0.2174	0.08447	0.30187	1015.5489	0.157596	-422.507312	-422.499435	-422.49849	-422.539785	30.164
+C	 1.5286761803	-0.2963025233	 0.0515812013	-0.26197
+O	 0.127197119	-0.0914731091	-0.0500152468	-0.286237
+C	-0.4069026867	 0.6279875543	 0.9882573178	 0.393541
+C	-1.8225577435	 0.6165637366	 1.5376728401	-0.176396
+C	-1.8932849919	 2.1426182169	 1.4829110527	-0.2282
+C	-0.3462694155	 2.1732800799	 1.2454779775	-0.148863
+C	 0.382830478	 2.2619449552	 2.5849542082	-0.082858
+O	-0.117065966	 1.1450473488	 3.3393456374	-0.268298
+C	-0.6176360517	 0.2167775784	 2.4021442218	 0.018821
+H	 1.7908349884	-0.8149747213	 0.9835581327	 0.117415
+H	 1.8214949039	-0.9129325968	-0.8008318448	 0.130083
+H	 2.0813671372	 0.6524388925	 0.0092267206	 0.113524
+H	-2.62610106	-0.0844755917	 1.3430802642	 0.090529
+H	-2.4477519132	 2.4919426486	 0.6089693799	 0.106783
+H	-2.2548033533	 2.6604641825	 2.3772983911	 0.10101
+H	 0.0303507407	 2.8241925974	 0.4575789175	 0.079832
+H	 1.4746635285	 2.1821926177	 2.4602670415	 0.087962
+H	 0.1595622985	 3.1745872824	 3.1472146597	 0.107886
+H	-0.5392015827	-0.8179888491	 2.7127086476	 0.105437
+19
+0 4982	2.7306084	1.6019634	1.4163451	0.9984	74.17	-0.22329	0.08933	0.31262	1014.1834	0.15778	-422.510191	-422.502322	-422.501378	-422.542616	30.129
+C	 1.4860875105	-0.1566194071	 0.1153991345	-0.260319
+O	 0.0759363347	-0.0247356392	 0.0026745639	-0.286985
+C	-0.4892794881	 0.6909220331	 1.0246761636	 0.434422
+C	-1.8916382955	 0.641005896	 1.5743802527	-0.159397
+C	-2.0201211818	 2.1644212259	 1.4991852106	-0.249511
+C	-0.4697622301	 2.2283268677	 1.2820628036	 0.001631
+O	 0.2360560059	 2.4390294117	 2.4953598863	-0.265512
+C	-0.103439812	 1.346247538	 3.3648806551	-0.103166
+C	-0.6800382634	 0.2716657999	 2.4524643222	-0.160036
+H	 1.7644350638	-0.6828880267	 1.0386140885	 0.112458
+H	 1.8195987641	-0.7377546862	-0.74683998	 0.128394
+H	 1.9861280408	 0.8209767481	 0.1052170669	 0.122549
+H	-2.6679702354	-0.0897851639	 1.3821134175	 0.09327
+H	-2.5694454023	 2.4783249833	 0.6073760141	 0.10645
+H	-2.4003714353	 2.7055856081	 2.3710961435	 0.099079
+H	-0.0836029622	 2.9073406887	 0.5232266787	 0.087768
+H	 0.8077463869	 1.0102908903	 3.8732874924	 0.104703
+H	-0.8149372781	 1.6830733607	 4.1318097266	 0.098276
+H	-0.5829186926	-0.7766493786	 2.7078961994	 0.095925
+19
+0 4983	2.7678013	1.5540362	1.39651	2.3711	73.75	-0.22591	0.08053	0.30644	1025.4034	0.157527	-422.507058	-422.49915	-422.498205	-422.539555	30.281
+C	 1.0229233668	 0.0688960017	-0.3698487392	-0.258122
+O	 0.8106446172	-0.1864614329	 1.0113166689	-0.281572
+C	-0.191219961	 0.5619105781	 1.5687259431	 0.3678
+C	-1.6864863762	 0.4955821043	 1.3164653603	-0.166573
+C	-2.2657297239	 1.8799677666	 1.0259928707	-0.224867
+C	-1.0838498842	 2.8538552843	 1.3151043638	-0.214067
+C	-0.1359282601	 2.0056864784	 2.1531902679	 0.019487
+O	-0.869818665	 1.5560382024	 3.3450956953	-0.307537
+C	-1.0890166054	 0.2925956308	 2.7176237226	 0.001444
+H	 1.7933543674	-0.628180509	-0.705756205	 0.131389
+H	 0.1055304802	-0.0940999672	-0.9509487638	 0.114732
+H	 1.3730829053	 1.0957614414	-0.5442581852	 0.113507
+H	-2.0933848477	-0.3968995112	 0.8530547955	 0.090624
+H	-2.6147726613	 1.9574804804	-0.0076210542	 0.098179
+H	-3.1181450485	 2.0970866692	 1.6759844156	 0.114125
+H	-0.5839367557	 3.1635541117	 0.388974815	 0.095798
+H	-1.4011865941	 3.7560082449	 1.8451650038	 0.109816
+H	 0.8325780378	 2.434852197	 2.4153468325	 0.084735
+H	-1.2604284616	-0.5749245108	 3.3432158325	 0.111102
+19
+0 4984	2.6984786	1.5238269	1.3592332	0.9917	74.04	-0.22885	0.06837	0.29722	1033.1526	0.158523	-422.525693	-422.517899	-422.516954	-422.558061	30.185
+O	 1.5388136587	 0.5762429284	 0.1448149267	-0.412354
+C	 0.3353136075	-0.0043790864	-0.3462231207	-0.209929
+C	 0.064953426	 0.3652294919	-1.7698203463	 0.291553
+C	-1.1885672751	 0.3081356315	-2.6601055791	-0.169559
+C	-0.3907036382	-0.3422272714	-3.7910007442	-0.23277
+C	 0.922339126	 0.0336761993	-3.0293549785	-0.117541
+C	 1.4095573462	 1.4092685949	-3.4752611996	-0.083951
+O	 0.2837024559	 2.2740422881	-3.2485659776	-0.272543
+C	-0.5328588651	 1.6276495326	-2.2970161662	 0.0546
+H	 1.4555679139	 1.5311716677	 0.0496894715	 0.283865
+H	 0.4762064492	-1.0865418329	-0.2444114661	 0.11127
+H	-0.5315235789	 0.2676407424	 0.2780884259	 0.08812
+H	-2.2109840555	 0.0830646157	-2.3753342736	 0.084081
+H	-0.5447564647	-1.4232374684	-3.8240665624	 0.103919
+H	-0.5133751366	 0.0728833859	-4.7971618831	 0.10035
+H	 1.6972529121	-0.7273268455	-2.9471656481	 0.081455
+H	 2.2726794789	 1.7412519905	-2.877747421	 0.093734
+H	 1.6690635153	 1.4614832001	-4.5375420604	 0.107262
+H	-1.0742717354	 2.3123770756	-1.6532884572	 0.09844
+19
+0 4985	2.6994838	1.5265251	1.348867	1.5278	73.95	-0.2396	0.06755	0.30715000000000003	1036.6642	0.158514	-422.527743	-422.519834	-422.518889	-422.560363	30.296
+O	 1.3777036503	 0.8228984885	 0.1218688209	-0.413939
+C	 0.3283472128	 0.0323171314	-0.4264742477	-0.209128
+C	 0.0149028703	 0.3790469237	-1.8478542428	 0.328587
+C	-1.2621797017	 0.3550352454	-2.6842885993	-0.142531
+C	-0.5411400846	-0.3402032744	-3.8411826264	-0.250842
+C	 0.8075849471	 0.0251370112	-3.1389988721	 0.014564
+O	 1.3643102851	 1.2338969294	-3.6318216637	-0.266495
+C	 0.3893628711	 2.258752047	-3.3843968591	-0.106581
+C	-0.5644470172	 1.6667863119	-2.352989829	-0.1157
+H	 2.1284049608	 0.7692614692	-0.4785841009	 0.287632
+H	 0.560842215	-1.0418489216	-0.3398473283	 0.087539
+H	-0.5468042799	 0.2211796993	 0.2051312872	 0.110099
+H	-2.2755295715	 0.1626765455	-2.3498762909	 0.08734
+H	-0.7195488094	-1.419071068	-3.8365826387	 0.10321
+H	-0.6767945736	 0.0442316349	-4.8573208863	 0.09893
+H	 1.5908484708	-0.7329401923	-3.1127483379	 0.080519
+H	 0.9060021288	 3.1453329311	-3.0001228929	 0.109955
+H	-0.1141677273	 2.5346295353	-4.3209076839	 0.099394
+H	-1.0613849968	 2.3245951923	-1.6496608683	 0.097448
+19
+0 4986	3.0431927	1.3484946	1.3112363	1.6502	73.89	-0.2267	0.07774	0.30444000000000004	1070.6656	0.158345	-422.526404	-422.518568	-422.517624	-422.558801	30.337
+O	 1.6297882616	 0.8475663419	-0.0153213168	-0.41169
+C	 0.2795321901	 0.4654634698	 0.2103502289	-0.20195
+C	-0.6540587719	 0.9817244918	-0.8355405277	 0.256041
+C	-2.1540365472	 1.2132888143	-0.7560728893	-0.152425
+C	-2.878944403	 0.4999209016	-1.9000898362	-0.230051
+C	-1.7300374744	 0.0120358791	-2.8297384312	-0.211687
+C	-0.5462767288	 0.8559075036	-2.3758323004	 0.045063
+O	-0.9118086935	 2.2712003304	-2.5445313527	-0.312459
+C	-1.2149150987	 2.3381447718	-1.1525220391	 0.0366
+H	 1.644761502	 1.8064276223	-0.1065254953	 0.283689
+H	 0.286729664	-0.6313214475	 0.2147277243	 0.112201
+H	-0.0727456042	 0.7862316311	 1.2044816032	 0.088665
+H	-2.6129451167	 1.2912587396	 0.2243022542	 0.086691
+H	-3.4833377647	-0.3313536788	-1.5268981631	 0.100614
+H	-3.5506888446	 1.1830246847	-2.4276137846	 0.114126
+H	-1.5108005865	-1.0510620776	-2.6726926359	 0.099566
+H	-1.9502638476	 0.1588120721	-3.8906327109	 0.109358
+H	 0.4272616032	 0.6398140791	-2.8176151973	 0.088943
+H	-1.152082499	 3.3035053506	-0.6614151902	 0.098706
+19
+0 4987	2.5827605	1.5589017	1.1303733	1.5042	76.88	-0.21672	0.01307	0.22979	1119.0986	0.156272	-422.533932	-422.525227	-422.524283	-422.566965	33.032
+C	 1.4120962911	-0.1705559446	 0.0714208473	-0.268165
+O	-0.0026611478	-0.1307522297	 0.2291304457	-0.303793
+C	-0.4166434387	 0.6539813589	 1.3087009259	 0.36408
+C	-0.2611584841	 2.1375922087	 1.3152103001	-0.161083
+C	-1.3177363059	 2.7325934479	 1.8741144738	-0.072177
+C	-2.3882139682	 1.7440323895	 2.2930257975	-0.28607
+C	-1.7687690546	 0.3880233286	 1.959624359	-0.192136
+C	-0.4918747056	-0.0368369741	 2.6577648658	 0.081777
+O	-0.1843713172	-1.3967689398	 2.7042606102	-0.447349
+H	 1.9083586537	-0.5128106912	 0.988468307	 0.126956
+H	 1.6188021091	-0.8735816571	-0.738673538	 0.12974
+H	 1.8151537757	 0.8121041494	-0.2060150816	 0.118276
+H	 0.6250241388	 2.6422069948	 0.948968762	 0.097966
+H	-1.4141084272	 3.7988501553	 2.045663405	 0.098104
+H	-2.6256429362	 1.8319279318	 3.361311642	 0.114664
+H	-3.3293185986	 1.9163776368	 1.7536201276	 0.111713
+H	-2.3895744249	-0.4198312613	 1.5884712157	 0.09647
+H	-0.1600541556	 0.4827953206	 3.5522507577	 0.101429
+H	-0.1699021637	-1.7036357045	 1.7879413273	 0.2896
+19
+0 4988	2.6321181	1.4583414	1.0948133	2.9943	76.47	-0.22981	0.01907	0.24888	1137.186	0.157034	-422.553984	-422.545248	-422.544304	-422.587458	33.156
+O	 1.5531199858	 0.4192095365	 0.317912514	-0.428115
+C	 0.1887081437	 0.0700444775	 0.134562124	-0.161213
+C	-0.6396262015	 0.3514051894	 1.3684719177	 0.286267
+C	-1.0907088927	 1.7341846514	 1.7055530885	-0.146093
+C	-2.2950303498	 1.7434733411	 2.2816510881	-0.082196
+C	-2.8908402752	 0.3530637423	 2.3945454503	-0.285994
+C	-1.7760149046	-0.5492899304	 1.8668980839	-0.173827
+C	-0.4488760787	-0.5298759079	 2.5826845602	 0.055383
+O	 0.4291224104	-1.60853419	 2.4040605399	-0.437505
+H	 1.8859973207	-0.1638148366	 1.0099437774	 0.292803
+H	-0.1694243996	 0.6752614194	-0.7049430561	 0.105452
+H	 0.0842674743	-0.9861823602	-0.1468569559	 0.092582
+H	-0.4711809526	 2.6018649753	 1.5102451227	 0.105819
+H	-2.8104424191	 2.6259413526	 2.6436713124	 0.095006
+H	-3.1712811548	 0.1073589407	 3.4275997308	 0.107155
+H	-3.8079452614	 0.2582899405	 1.7972538001	 0.109005
+H	-2.0202762779	-1.4559031115	 1.3237656674	 0.087357
+H	-0.3861580028	-0.0418593208	 3.5559958997	 0.087651
+H	 0.070670186	-2.3784882792	 2.8579250649	 0.290463
+19
+0 4989	2.4460041	1.285896	0.9486768	3.5719	77.28	-0.24065	-0.00914	0.23151	1257.5461	0.155521	-422.549118	-422.539886	-422.538942	-422.583179	34.057
+C	-2.9310179222	-1.933382821	-1.5931037318	-0.434661
+C	-1.9093654824	-0.8765980482	-1.2255711078	-0.058538
+C	-0.9932206601	-1.1969458598	-0.0391084207	-0.247527
+C	 0.0870593091	-0.1646057873	 0.0528551868	 0.426415
+O	 1.2667997767	-0.2171649653	 0.2577131775	-0.320341
+C	-0.9283782848	 1.0079635923	 0.0161543064	-0.416502
+C	-2.0490703636	-0.0512953713	 0.0135265456	 0.304456
+C	-3.275231053	 0.0593618978	 0.8733667224	-0.177326
+O	-4.1066740863	 1.1428542266	 0.4770528611	-0.408852
+H	-3.338575201	-2.4357510704	-0.7112698611	 0.127016
+H	-3.7682965223	-1.4970407628	-2.1491306674	 0.120905
+H	-2.4762679221	-2.6997753648	-2.228340034	 0.135023
+H	-1.4513062485	-0.3975708468	-2.0899948079	 0.094692
+H	-0.9986617512	-2.1862376627	 0.4039614101	 0.106421
+H	-0.8709923421	 1.5866128622	 0.9430656932	 0.134786
+H	-0.8902532778	 1.6934339507	-0.8351579338	 0.119132
+H	-3.8296422853	-0.8903489926	 0.886289215	 0.093026
+H	-2.9875033299	 0.2788091184	 1.907260535	 0.117941
+H	-4.3807043431	 0.983074585	-0.4319494685	 0.283935
+19
+0 4990	2.5956873	1.2686743	0.9591302	2.7097	77.56	-0.2374	-0.00741	0.22999	1254.4932	0.15515	-422.549346	-422.540133	-422.539189	-422.583394	34.209
+C	 2.0456269275	 1.7531665019	-1.9345832939	-0.380264
+C	 2.2952878752	 0.6492010522	-0.8967729132	-0.291709
+C	 1.9785166568	-0.7204245739	-1.430167848	 0.328792
+C	 2.8038027273	-1.4654601915	-2.4992906513	-0.428932
+C	 2.6660860105	-2.7444940035	-1.6302396747	 0.425079
+O	 3.2036106306	-3.8164834375	-1.6706831673	-0.325099
+C	 1.789461373	-2.0630234758	-0.6387039137	-0.296515
+C	 0.637848659	-1.3436619235	-1.3740961351	 0.058727
+O	-0.2790541576	-0.697724035	-0.5481152618	-0.426143
+H	 2.2999391281	 2.7352647839	-1.5250601541	 0.116044
+H	 2.650708595	 1.599527552	-2.8344342849	 0.118217
+H	 0.9937694422	 1.7741965711	-2.2355399953	 0.129156
+H	 3.3435661678	 0.6745630704	-0.5736880863	 0.100861
+H	 1.6824224632	 0.8326222597	-0.009610659	 0.121422
+H	 2.3969437895	-1.4985514928	-3.5150112156	 0.117754
+H	 3.8499471941	-1.1468732151	-2.5413575992	 0.133493
+H	 1.694265426	-2.2513680297	 0.4242795778	 0.107477
+H	 0.2040933816	-1.8024996406	-2.2649485701	 0.095117
+H	-0.8854501397	-1.3565317823	-0.1938069944	 0.296523
+19
+0 4991	2.4566937	1.3547014	1.0860994	4.3834	76.26	-0.26905	0.00517	0.27422	1202.6483	0.155478	-422.565791	-422.556655	-422.555711	-422.599745	33.486
+C	 1.2632047041	-0.4228439824	 1.0470392783	-0.379593
+C	 0.8377108819	 0.155762961	-0.3096748828	-0.289415
+C	 1.5614529148	-0.4771983408	-1.4538381229	 0.458224
+O	 3.0008276541	-0.2108079129	-1.5488292391	-0.299104
+C	 2.8755669113	 0.0120297031	-2.9166372247	 0.459697
+O	 3.7133872904	 0.4161181167	-3.6554386705	-0.328331
+C	 1.4243299536	-0.3684697843	-2.9617939643	-0.370533
+C	 1.2507175203	-1.7150007644	-2.2202118494	-0.067383
+C	 2.1710750972	-2.9032456985	-2.3807706984	-0.424481
+H	 1.0431244427	-1.4933849636	 1.1065871129	 0.120508
+H	 2.3373179769	-0.2897886909	 1.2031722003	 0.142808
+H	 0.7350917888	 0.0783582802	 1.8629208875	 0.118999
+H	-0.2381228967	 0.0122399362	-0.4636603045	 0.109998
+H	 1.0225450433	 1.2361195354	-0.3308841872	 0.119499
+H	 0.6613935223	 0.0656298258	-3.5921638505	 0.12307
+H	 0.1919591584	-1.9690999004	-2.1708938534	 0.103426
+H	 1.9953370912	-3.6308154077	-1.5814235607	 0.124535
+H	 1.9952040104	-3.4048276949	-3.3371787201	 0.128516
+H	 3.219893505	-2.6031800374	-2.3355964006	 0.149562
+19
+0 4992	2.6712783	1.3180384	0.990665	3.8594	77.56	-0.2398	-0.00779	0.23201000000000002	1227.1396	0.154723	-422.532743	-422.523468	-422.522524	-422.566751	33.886
+C	 1.4450042589	-0.0894743027	 0.0118401569	-0.261902
+O	 0.0241741695	-0.0493625464	 0.026338215	-0.279536
+C	-0.4881109978	 0.6353425617	 1.1018699509	 0.43827
+C	-0.4998629969	 2.172637189	 1.2185500954	-0.438005
+C	-1.9807725358	 2.0382223299	 1.6755186255	 0.432256
+O	-2.8430950814	 2.8452064526	 1.8778629066	-0.317355
+C	-1.9484173984	 0.5451721521	 1.589639299	-0.281338
+C	-0.7633035052	 0.0089282607	 2.4273379201	-0.080225
+C	-0.6890307569	-1.4979546712	 2.5565778375	-0.426946
+H	 1.8431316702	-0.5883123263	 0.9053018907	 0.116749
+H	 1.7350431223	-0.6541810645	-0.8762032158	 0.135031
+H	 1.8735510311	 0.9201149344	-0.0494212036	 0.119901
+H	 0.2099497069	 2.6466633978	 1.9026767409	 0.115275
+H	-0.4618334066	 2.6669074487	 0.2428587764	 0.136194
+H	-2.7526257433	-0.1228893234	 1.3064239944	 0.113236
+H	-0.4959639887	 0.5562671985	 3.3298155184	 0.091781
+H	-1.410796109	-1.8650250521	 3.2927929427	 0.127595
+H	-0.8930693304	-1.9849551336	 1.5995848228	 0.136015
+H	 0.3085667715	-1.8077332754	 2.8851148261	 0.123005
+19
+0 4993	3.0283138	1.2609153	1.0821007	2.9611	76.39	-0.23953	0.0087	0.24823	1185.8845	0.155871	-422.534929	-422.525774	-422.524829	-422.568897	33.661
+C	-1.2075875332	-2.5183731426	-0.2193512104	-0.512899
+C	-1.2541749117	-1.0191726	-0.1634295799	 0.182289
+C	-1.4797698884	 0.0017758068	-1.3449078479	-0.322205
+C	-1.3326496114	 0.9417978772	-0.0992828668	 0.182905
+C	-1.3190647855	 2.4420681348	-0.0001340457	-0.203652
+O	-0.9219957839	 2.8616066435	 1.2965925547	-0.418849
+C	-2.2373063653	-0.0973956903	 0.6535875812	-0.295951
+C	-0.1959174058	-0.0076305408	 0.2971574403	 0.402053
+O	 0.9098506766	 0.0446163371	 0.7522313155	-0.356184
+H	-1.027946044	-2.9379957115	 0.7756578495	 0.134359
+H	-2.1481945438	-2.9327219909	-0.5963621739	 0.125079
+H	-0.4003039825	-2.858789892	-0.8757562243	 0.132686
+H	-0.71081589	 0.0586608016	-2.1188465555	 0.110541
+H	-2.4856185059	-0.0287099215	-1.7727594267	 0.1062
+H	-0.6581035374	 2.8528934762	-0.7805512819	 0.096975
+H	-2.3167607306	 2.8617459314	-0.1678874899	 0.114798
+H	-0.0417993753	 2.5009157058	 1.455383702	 0.299269
+H	-2.1761812833	-0.1259456389	 1.7428321521	 0.118118
+H	-3.2716984286	-0.1274488258	 0.3001246573	 0.104469
+19
+0 4994	2.9640848	1.2644368	1.0739624	2.6464	76.94	-0.24344	-0.00176	0.24167999999999998	1214.0961	0.154033	-422.520572	-422.511083	-422.510139	-422.554963	34.383
+C	 0.7461648931	 0.5367377404	 0.3630215442	-0.391456
+C	 1.4716873915	-0.8149590863	 0.4064632639	-0.322356
+C	 2.0099602039	-1.196889597	-0.9355159889	 0.289394
+C	 1.2884285464	-1.5918070447	-2.251792519	-0.303426
+C	 2.7800975523	-1.9495289699	-2.4787343069	 0.265662
+C	 3.4408985335	-2.7553472812	-3.546508385	-0.516862
+O	 2.8132597927	-2.4546532011	-1.0671331728	-0.373131
+C	 3.1455493341	-0.5959228821	-1.8089553416	 0.406977
+O	 3.9377706826	 0.2898861786	-1.8451022852	-0.326659
+H	 0.3732803383	 0.8044913932	 1.3550838046	 0.122781
+H	 1.4185811956	 1.3318539818	 0.0273256138	 0.141867
+H	-0.1095057114	 0.506893509	-0.3193585322	 0.121709
+H	 2.3102485263	-0.7724128137	 1.1109371576	 0.125335
+H	 0.796927332	-1.6027894642	 0.7614182867	 0.115345
+H	 0.6537403539	-2.4734687585	-2.1387097896	 0.11359
+H	 0.8356424476	-0.8079574606	-2.8654833587	 0.108471
+H	 2.9760365243	-3.7413093892	-3.6388783153	 0.137254
+H	 3.3543450943	-2.2393137195	-4.5076108452	 0.138413
+H	 4.5030270692	-2.887089855	-3.3217589802	 0.147096
+19
+0 4995	2.9650823	1.25322	1.0819424	1.7171	75.89	-0.23699	0.00829	0.24528	1191.2919	0.155234	-422.538042	-422.528653	-422.527709	-422.5724	34.141
+C	 1.1409733836	-1.1206141008	 0.5178108779	-0.388767
+C	 1.7199387313	 0.2047867803	 0.0056808382	-0.31081
+C	 2.295166509	 0.0901909462	-1.3789308904	 0.1949
+C	 3.0051191816	 1.2014110674	-2.2343685825	-0.337748
+C	 3.0465987463	-0.0634552395	-3.1693451335	 0.280653
+O	 3.5533677762	-0.1565714544	-4.4395766635	-0.466723
+C	 1.566539594	-0.3201935798	-2.7147693542	-0.318522
+C	 3.424959374	-0.8185232726	-1.8942983881	 0.364273
+O	 4.1943407441	-1.6564499916	-1.5254552842	-0.351715
+H	 0.7576856104	-1.0109256103	 1.5363301016	 0.115725
+H	 0.3155159917	-1.4623778147	-0.115128991	 0.118827
+H	 1.9062951631	-1.9025033036	 0.5244961963	 0.141221
+H	 0.9469591826	 0.9832454894	 0.0173656519	 0.104597
+H	 2.5112487559	 0.5473085487	 0.6841666671	 0.111434
+H	 2.33750208	 1.9921752174	-2.5849158772	 0.109588
+H	 3.9544088684	 1.5953347926	-1.8652248025	 0.109487
+H	 4.2929748766	-0.7751075508	-4.4219918294	 0.302583
+H	 0.852872391	 0.4222822488	-3.0799186769	 0.109375
+H	 1.1808936604	-1.3382752827	-2.7951233	 0.111623
+19
+0 4996	3.0172174	1.3058564	1.1096279	2.3107	76.63	-0.22347	0.01061	0.23408	1173.8512	0.155067	-422.521958	-422.51265	-422.511705	-422.5561	33.706
+C	 1.3787052582	-0.1473785994	-0.1403282244	-0.273414
+O	-0.0364514542	-0.1119532203	 0.0104439308	-0.285866
+C	-0.4509584821	 0.5422440668	 1.1327817851	 0.316723
+C	-1.937809779	 0.8555430704	 1.4661004786	-0.325401
+C	-1.1617361557	 1.4374434471	 2.7078467043	 0.178345
+C	-1.7207415049	 2.1333487837	 3.9132413192	-0.508182
+C	-0.3050570276	 0.1242118532	 2.6543920817	-0.339002
+C	-0.1687530047	 1.9671506223	 1.6557845025	 0.3574
+O	 0.4713197585	 2.9448330643	 1.4083646839	-0.344613
+H	 1.8499738982	-0.7298960727	 0.663139489	 0.115476
+H	 1.5802276072	-0.6329287675	-1.0966730018	 0.133614
+H	 1.801998618	 0.8637572162	-0.1459027189	 0.144415
+H	-2.4619346914	 1.5607022539	 0.8180375331	 0.113984
+H	-2.5426971161	-0.0264257744	 1.6904915233	 0.108714
+H	-2.4138925545	 1.489558588	 4.4639578463	 0.12483
+H	-0.9179641058	 2.4286787485	 4.5964333226	 0.132679
+H	-2.2598691159	 3.0405256089	 3.6220248523	 0.133237
+H	 0.6868444433	 0.1514316512	 3.1100742864	 0.108779
+H	-0.8560726915	-0.7824335702	 2.9154803061	 0.108284
+19
+0 4997	3.4933405	1.2576633	1.1741341	2.3247	75.45	-0.23647	0.00026	0.23673000000000002	1132.2018	0.155685	-422.525373	-422.516805	-422.515861	-422.558231	33.268
+C	 3.1728028131	-5.0050262761	-1.2678243135	-0.509417
+C	 2.7604057531	-3.5612109226	-1.2338453975	 0.367642
+C	 3.2235874774	-2.5245054209	-0.1565264387	-0.311396
+C	 1.8686602376	-1.9236622432	-0.6341775653	 0.346898
+C	 0.9441938231	-1.0548890276	 0.1739864696	-0.180911
+O	-0.3184188513	-0.9448419933	-0.4596125618	-0.419556
+O	 1.3803711382	-3.3092069473	-0.7722004509	-0.364657
+C	 2.1914981436	-1.5777190257	-2.1056206354	-0.11831
+C	 2.8028786506	-2.6892259617	-2.5120797492	-0.125674
+H	 3.0604087051	-5.4649622177	-0.2826303082	 0.129475
+H	 2.5575350099	-5.5622936347	-1.9813589487	 0.133836
+H	 4.2194927028	-5.0940374866	-1.5761209861	 0.124706
+H	 3.1737872399	-2.9264436774	 0.8595260946	 0.101254
+H	 4.1397184443	-1.9577479686	-0.3327632563	 0.097396
+H	 0.8547508699	-1.4642707203	 1.1918647765	 0.095011
+H	 1.3519103304	-0.0410507835	 0.2538909989	 0.110454
+H	-0.5926572553	-1.8440187489	-0.6764376163	 0.296613
+H	 1.9606425743	-0.6558111011	-2.6183302253	 0.117906
+H	 3.2374262634	-2.958010633	-3.4644278167	 0.108726
+19
+0 4998	3.4168737	1.3078915	1.1190214	1.0789	75.69	-0.22808	0.00973	0.23781	1129.7938	0.155791	-422.518598	-422.510132	-422.509187	-422.551242	33.206
+C	 1.2892317571	-0.1524642357	-0.2031499379	-0.261246
+O	-0.0935200014	-0.0138295876	 0.0446662801	-0.30668
+C	-0.4328872961	 0.661211031	 1.2050832692	 0.414497
+C	 0.02986559	 2.1257952494	 1.5681500319	-0.310727
+C	-0.5571830475	 1.6903639965	 2.9444352968	 0.372484
+O	-0.2252853399	 2.4394353052	 4.0677096718	-0.483249
+C	 0.0394027336	 0.2618688425	 2.6539058731	-0.346211
+C	-2.035053971	 1.461332229	 2.5694537654	-0.186663
+C	-1.944660491	 0.7829626608	 1.4253407671	-0.125906
+H	 1.793406142	-0.7219779726	 0.590104946	 0.111824
+H	 1.3871805002	-0.6979569773	-1.1443564344	 0.128267
+H	 1.7879603643	 0.8214450007	-0.3051755442	 0.112854
+H	 1.115453834	 2.2568901394	 1.6027340128	 0.098403
+H	-0.4593444052	 2.952630507	 1.0505011432	 0.100439
+H	-0.6157407806	 2.0166859221	 4.8400347321	 0.28016
+H	 1.1258098323	 0.2344061485	 2.780749255	 0.096463
+H	-0.4445812836	-0.6000448025	 3.1186184914	 0.091454
+H	-2.895995615	 1.8044716674	 3.1264122812	 0.103183
+H	-2.6976098823	 0.389872106	 0.7576575895	 0.110653
+19
+0 4999	3.7793754	1.1644686	1.0878577	2.5724	75.92	-0.22247	0.01711	0.23958000000000002	1161.7235	0.156279	-422.532123	-422.523623	-422.522679	-422.564845	33.406
+O	 1.8510720539	 0.1918257808	-0.1450961483	-0.422984
+C	 0.4584144129	 0.4045087514	 0.0474727398	-0.203846
+C	-0.1003344939	 0.9885890379	-1.2217310749	 0.316312
+C	-1.5885758615	 1.4754767087	-1.3253852505	-0.331538
+C	-1.0006496156	 2.1932130664	-2.5942582047	 0.363907
+O	-1.6575983063	 3.1874166571	-3.3091674037	-0.489536
+C	 0.2978525495	 2.4177023455	-1.7403293237	-0.30227
+C	-0.5770575045	 0.9775845417	-3.4276195067	-0.120519
+C	 0.0157015747	 0.1869965586	-2.5325690491	-0.116611
+H	 2.2071974327	-0.2110501157	 0.6522373055	 0.288406
+H	-0.0605469466	-0.5412131169	 0.2767410052	 0.08646
+H	 0.2712883099	 1.0920397023	 0.8880168856	 0.082391
+H	-2.3605781965	 0.7192330292	-1.483525664	 0.096334
+H	-1.870134526	 2.1699585334	-0.5242314017	 0.080166
+H	-1.8548267024	 3.9131278132	-2.7089559531	 0.27897
+H	 1.2452136615	 2.5162559466	-2.2719206108	 0.106156
+H	 0.1877866196	 3.1953585943	-0.9742127869	 0.077735
+H	-0.7458696637	 0.8631717122	-4.4885824676	 0.104961
+H	 0.4925796925	-0.7757658966	-2.6440174202	 0.105504
+19
+0 5000	4.5431084	0.9503132	0.9249143	2.7364	77.41	-0.2471	-0.03911	0.20798999999999998	1333.8739	0.154185	-422.50808	-422.498838	-422.497894	-422.543039	33.307
+C	 3.0465974222	 2.8819182398	-1.8787517976	-0.383276
+C	 3.5018660605	 2.5497341172	-3.303873831	-0.314752
+C	 3.3438077123	 1.0982371067	-3.6449843903	 0.420655
+C	 3.8015111098	 0.3221730694	-4.9091295803	-0.300159
+C	 3.3542496916	-0.6900481508	-3.8140318615	 0.315527
+C	 2.0970123514	 0.1717232786	-3.5485808621	-0.29244
+O	 4.0975607746	 0.1017566717	-2.8150544146	-0.376757
+C	 3.5261130342	-2.1741964688	-3.8012115875	 0.035798
+O	 2.7979895857	-2.9326899914	-4.3886035373	-0.249341
+H	 3.5938948936	 2.2781543665	-1.1499757196	 0.141301
+H	 3.2206593743	 3.937332996	-1.6519313827	 0.116515
+H	 1.9785097682	 2.6818221639	-1.7469406631	 0.120422
+H	 2.9331705614	 3.1349816144	-4.0373457541	 0.109576
+H	 4.55704022	 2.8173726631	-3.4373446774	 0.115351
+H	 3.1937296227	 0.3929310108	-5.8136126752	 0.109145
+H	 4.874788264	 0.3413252136	-5.1022185595	 0.112725
+H	 1.345098627	 0.2331031392	-4.3376017615	 0.10874
+H	 1.6702456865	 0.0586406872	-2.5518185924	 0.114311
+H	 4.4008825001	-2.522432017	-3.2086049723	 0.09666
+19
+0 5001	4.4982017	0.9578628	0.9229992	2.4308	78.07	-0.25099	-0.02826	0.22272999999999998	1313.9607	0.155565	-422.510901	-422.502003	-422.501059	-422.54502	32.377
+C	 1.4738206505	-0.132029258	-0.1249166625	-0.266662
+O	 0.0663481455	-0.1034156836	 0.0332943473	-0.285524
+C	-0.3659948851	 0.5962915813	 1.1312514503	 0.445174
+C	-0.1402280371	 2.1070835371	 1.4813637467	-0.32998
+C	-1.06197557	 1.5290496942	 2.5848862953	 0.246117
+C	-1.8625529651	 0.7856081526	 1.4598854193	-0.32492
+C	-0.1326149031	 0.2687370908	 2.64610262	-0.336698
+C	-1.6379610175	 2.2389014959	 3.7556927616	 0.036838
+O	-1.4296041433	 3.3954982396	 4.0262041724	-0.247957
+H	 1.9673532433	-0.6167819217	 0.7288885549	 0.115079
+H	 1.6795559851	-0.709272657	-1.0282680618	 0.133484
+H	 1.8880286705	 0.8785790642	-0.2431087013	 0.118323
+H	 0.8598119523	 2.4069532993	 1.8010278523	 0.102142
+H	-0.5914879971	 2.8393811718	 0.8086941529	 0.105441
+H	-2.4150616592	-0.1082516	 1.758630646	 0.103021
+H	-2.4381728724	 1.4210919501	 0.7829686293	 0.107986
+H	 0.8664363163	 0.4386719257	 3.0542449358	 0.104226
+H	-0.580924241	-0.6542501476	 3.0216504929	 0.102648
+H	-2.2990776228	 1.6081425452	 4.3944750387	 0.071261
+19
+0 5002	4.9181768	0.9013991	0.8727219	3.4342	78.05	-0.24352	-0.02446	0.21905999999999998	1352.1291	0.15584	-422.520076	-422.511095	-422.510151	-422.554279	32.735
+O	-3.3604282336	-2.6742207678	 5.4310410696	-0.421856
+C	-3.5743533356	-1.5074537219	 6.2121003815	-0.218277
+C	-3.0131849199	-0.3390044125	 5.455452492	 0.358622
+C	-3.0015356993	 1.1552126946	 5.900103095	-0.313892
+C	-2.3104550938	 1.1261519207	 4.5109632028	 0.246514
+C	-3.4406576898	 0.150331661	 4.0377207483	-0.292679
+C	-1.536733966	-0.1482370514	 4.9905983077	-0.292799
+C	-1.7490720173	 2.2712841933	 3.7454324445	 0.031689
+O	-1.7650702941	 3.4179750958	 4.1197118098	-0.249223
+H	-3.7183344586	-3.4276585874	 5.9095797078	 0.290903
+H	-4.6473916773	-1.3386011958	 6.4010670665	 0.089938
+H	-3.0758579964	-1.5804044605	 7.1928294936	 0.089928
+H	-3.9682323848	 1.6620882778	 5.950526034	 0.099947
+H	-2.3671542592	 1.4109864682	 6.7522514002	 0.099829
+H	-4.4393287138	 0.5860802321	 3.9466697839	 0.098738
+H	-3.2054544587	-0.5121738035	 3.2024926494	 0.107838
+H	-1.1778628101	-0.8303926529	 4.2174912272	 0.107845
+H	-0.7903849014	 0.0135040056	 5.7731171666	 0.09861
+H	-1.2963882504	 1.9916341448	 2.7648160997	 0.068325
+19
+0 5003	3.0969635	1.3438052	1.1514018	4.3936	75.26	-0.26016	0.01617	0.27633	1132.0011	0.157703	-422.58801	-422.579968	-422.579023	-422.620583	31.027
+C	 2.2403788183	 1.5353622411	-0.1159533024	-0.386501
+C	 2.9125910923	 1.8412907037	-1.4592723038	-0.292595
+C	 2.9421858111	 0.6632912046	-2.3949001548	 0.455684
+C	 3.4718052794	 0.6851475192	-3.8519772803	-0.284421
+C	 2.8019331874	-0.7308762011	-3.8615529623	-0.196301
+C	 1.7051692986	-0.1054053301	-2.9344157933	-0.275427
+C	 3.6565213671	-1.4011526223	-2.7944690225	 0.456926
+O	 4.1720918063	-2.4754087888	-2.7279995952	-0.352853
+O	 3.7351894124	-0.4381307807	-1.8177324419	-0.286285
+H	 2.7532613507	 0.7171363115	 0.3957223995	 0.144393
+H	 2.2602061588	 2.4136338736	 0.5350953516	 0.117426
+H	 1.1935521088	 1.2447021367	-0.25276859	 0.118259
+H	 2.3917475905	 2.660985104	-1.9686797063	 0.10337
+H	 3.9439306391	 2.1767138395	-1.2967765607	 0.116663
+H	 2.948394794	 1.4011704255	-4.4887969111	 0.111534
+H	 4.553213077	 0.749468684	-3.991600795	 0.118899
+H	 2.5921446416	-1.3051973462	-4.7592044097	 0.09935
+H	 1.0077856779	 0.5324605673	-3.4812852976	 0.111841
+H	 1.1770863989	-0.7637565913	-2.2416511542	 0.120039
+19
+0 5004	3.3850748	1.2432619	1.1100485	3.1661	75.2	-0.23037	-0.01651	0.21386	1159.5092	0.156625	-422.562088	-422.553803	-422.552859	-422.594996	31.726
+C	 1.6918792822	 1.9650080094	-0.7194294045	-0.388568
+C	 1.4881054448	 0.4893053968	-0.3556913249	-0.289867
+C	 2.0709399256	-0.466912689	-1.3644045002	 0.42849
+C	 1.7082296073	-1.9764769984	-1.4094960095	-0.297834
+C	 1.9979319649	-1.7107132215	-2.903005077	-0.035186
+O	 1.50043274	-0.3479332082	-2.726694504	-0.333329
+C	 3.5118096103	-1.4402412425	-2.8789367171	 0.446342
+O	 4.3848455951	-1.8712494185	-3.5770330301	-0.322058
+C	 3.5821229124	-0.4491408038	-1.69384765	-0.388721
+H	 1.1903891436	 2.6121211943	 0.0054900798	 0.117562
+H	 2.7517859399	 2.2371488117	-0.7296379688	 0.120351
+H	 1.2790618132	 2.1775686617	-1.7094955285	 0.142104
+H	 1.9366062224	 0.2704062897	 0.6219046438	 0.10481
+H	 0.4166964209	 0.2759556652	-0.265808971	 0.107896
+H	 2.3258874611	-2.6927162477	-0.8606894347	 0.108546
+H	 0.6445511408	-2.1435571755	-1.2322731514	 0.118744
+H	 1.5692549887	-2.2657236575	-3.7343862982	 0.098966
+H	 4.2374144284	-0.8131690284	-0.8972662535	 0.124252
+H	 3.9282876884	 0.5342503522	-2.01931143	 0.137497
+19
+0 5005	4.0530914	1.1772474	1.07577	3.5512	75.65	-0.23742	-0.00651	0.23091	1160.8571	0.157229	-422.559537	-422.551409	-422.550465	-422.592205	31.285
+C	 1.2652635308	-0.0911094124	-0.0494246728	-0.262591
+O	-0.1415701264	-0.0333256037	 0.0739255309	-0.298707
+C	-0.6310182928	 0.6514621239	 1.1739472846	 0.456923
+C	-0.2883401667	 2.1388093412	 1.5171164114	-0.306659
+C	-0.885362809	 1.73877833	 2.9089089022	-0.134859
+C	-0.2628577108	 0.3233692673	 2.6586056601	-0.306659
+C	-2.332552431	 1.4743619882	 2.5206879997	 0.439606
+O	-3.3432960477	 1.8090840841	 3.075594814	-0.334157
+C	-2.1679902626	 0.659547192	 1.2211119048	-0.3916
+H	 1.7333707355	-0.6030245925	 0.8025602053	 0.11301
+H	 1.475694033	-0.6593645213	-0.9578057223	 0.133622
+H	 1.7121252154	 0.9077711916	-0.1474674907	 0.113011
+H	 0.7843272385	 2.3292056203	 1.5906146505	 0.108387
+H	-0.7801260102	 2.9313557173	 0.9470071398	 0.108776
+H	-0.6985013717	 2.310517829	 3.8140392152	 0.0872
+H	 0.8124065273	 0.3287114019	 2.8484637646	 0.108387
+H	-0.7313516897	-0.5435295954	 3.1318996793	 0.108776
+H	-2.6012587959	-0.3410382296	 1.3079507535	 0.128767
+H	-2.622360896	 1.1624746527	 0.3625984033	 0.128767
+19
+0 5006	4.0789721	1.1344448	1.0393825	3.8067	75.57	-0.23148	-0.00198	0.22949999999999998	1175.1958	0.157662	-422.571971	-422.563796	-422.562852	-422.604625	31.556
+O	-2.1058791484	 5.0582344349	 1.2954728658	-0.42411
+C	-1.0249285313	 4.2075408502	 0.9403661557	-0.196286
+C	-1.1633585613	 3.8522687882	-0.516974529	 0.357715
+C	-1.3142916918	 4.9466927217	-1.618069574	-0.270658
+C	-1.9056438975	 3.7622651577	-2.4534744799	-0.133533
+C	-2.4794110697	 3.2440707242	-1.0923272583	-0.270673
+C	-0.6729683628	 2.8809658558	-2.5757816775	 0.439949
+O	-0.2430103575	 2.2920900146	-3.5301516018	-0.336791
+C	-0.0962444213	 2.9299663855	-1.1390208583	-0.402226
+H	-2.0201061324	 5.2841300598	 2.2259092937	 0.291265
+H	-0.0545672439	 4.7041640798	 1.1068747021	 0.088839
+H	-1.0271161074	 3.2854346712	 1.545052145	 0.088852
+H	-2.0748135181	 5.6840410645	-1.3585761173	 0.124358
+H	-0.4099194936	 5.4392592675	-1.9879284232	 0.098539
+H	-2.5108219647	 3.9007084686	-3.3463050006	 0.080682
+H	-3.3596578896	 3.8064687359	-0.7788046568	 0.124317
+H	-2.6478277892	 2.1689414114	-0.9781109518	 0.098526
+H	-0.0561796039	 1.9298773642	-0.6947062595	 0.120611
+H	 0.9152576743	 3.3495182941	-1.1330491245	 0.120625
+19
+0 5007	3.2855832	1.2381003	1.0889594	2.4193	76.6	-0.22882	0.00704	0.23586	1183.802	0.156188	-422.521356	-422.512723	-422.511779	-422.554563	32.769
+C	 1.4909732328	 0.7286279038	-0.0622632508	-0.516968
+C	 0.1037235103	 0.2031343045	 0.0485692977	 0.365796
+C	-1.0955650736	 0.7905463224	 0.0879231523	-0.256718
+C	-2.0442054953	-0.4180349595	 0.2175460849	 0.359389
+C	-3.5299652558	-0.2579527328	 0.0447354854	-0.177972
+O	-3.8297382415	 0.2989845617	-1.2228877299	-0.419282
+C	-1.3305309908	-1.2562630625	 1.3238256682	-0.273137
+C	-0.3065220402	-1.2862935396	 0.1526945627	-0.038015
+O	-1.4461192327	-1.3512511146	-0.767736991	-0.333753
+H	 2.1032774769	 0.4283836992	 0.7978506334	 0.129075
+H	 1.9945242103	 0.3365101508	-0.9550578444	 0.134035
+H	 1.5011589082	 1.8205037567	-0.1184134197	 0.131382
+H	-1.3789513319	 1.8315818563	 0.0372552518	 0.112781
+H	-4.0208887395	-1.232782015	 0.1875202209	 0.094961
+H	-3.9245525303	 0.4315164289	 0.7993574479	 0.110654
+H	-3.3365201572	-0.2183025956	-1.8707951893	 0.296689
+H	-1.0515114067	-0.760839954	 2.2557450879	 0.09782
+H	-1.8057459672	-2.225838496	 1.4951138228	 0.104571
+H	 0.437315574	-2.0702551349	 0.0102524692	 0.078694
+19
+0 5008	2.8972379	1.5699171	1.2955907	0.5075	73.15	-0.23656	0.07003	0.30659	1042.83	0.157024	-422.505621	-422.497884	-422.49694	-422.537799	30.539
+C	 1.1901388739	 0.9335933174	 0.474208472	-0.387882
+C	 0.8468222678	-0.4604260863	-0.0636224902	-0.310729
+C	 1.6925234091	-0.8440299521	-1.2479250854	 0.392082
+C	 1.6193587365	-0.1905502283	-2.6535088209	-0.272361
+C	 2.1330660744	-1.6013090093	-3.0031866729	 0.02073
+O	 1.3205420316	-2.1250087785	-1.8956611767	-0.340798
+C	 3.5453882882	-1.6515655214	-2.3630124971	 0.03168
+O	 4.0741451861	-0.3751259014	-1.965302661	-0.249041
+C	 3.2203804803	-1.0893380309	-1.0567134334	-0.00075
+H	 0.5624913784	 1.1816662113	 1.3345357273	 0.11993
+H	 2.2355889032	 0.9943708693	 0.7938294293	 0.126334
+H	 1.0322096056	 1.7026771205	-0.2887307231	 0.126517
+H	 0.9862059856	-1.2146506082	 0.7218109727	 0.108706
+H	-0.2072261701	-0.5072603213	-0.3576433052	 0.110989
+H	 0.5822021122	-0.0667260136	-2.9647309266	 0.106986
+H	 2.2340888852	 0.6784206942	-2.8786749919	 0.121344
+H	 1.9622910024	-2.1028430687	-3.9542685486	 0.081188
+H	 4.2615131771	-2.4418793595	-2.5563553458	 0.109317
+H	 3.6508491225	-1.3906425332	-0.1076014625	 0.105759
+19
+0 5009	2.8954268	1.6397774	1.3434396	0.7705	73.77	-0.24001	0.08044	0.32045	1009.853	0.157615	-422.502132	-422.49455	-422.493606	-422.534019	30.094
+C	 1.4983902438	-0.1036858047	-0.0809206778	-0.26576
+O	 0.0875939461	-0.0347363686	 0.0139578223	-0.299976
+C	-0.3668380386	 0.6362830321	 1.1367353927	 0.41733
+C	-1.8950155171	 0.6132546289	 1.4553962621	-0.279442
+C	-1.3740717476	 1.0685800154	 2.8633215854	-0.091162
+C	-0.1516385877	 0.1436373733	 2.6021342838	-0.290733
+C	-0.8243910628	 2.4654632943	 2.4914820003	 0.047809
+O	 0.6063702628	 2.5845457469	 2.4390144434	-0.256099
+C	-0.0997755329	 2.165600464	 1.2592862457	-0.043618
+H	 1.9350632702	-0.6490026734	 0.7672875331	 0.11674
+H	 1.7304992744	-0.6376295696	-1.0048014587	 0.128238
+H	 1.9542179838	 0.8959876397	-0.1208571316	 0.117181
+H	-2.5396142419	 1.3010266924	 0.9003130222	 0.095403
+H	-2.3108859917	-0.3968390838	 1.4474896358	 0.10562
+H	-1.9819175457	 0.9760517269	 3.7608327268	 0.072594
+H	 0.7835472048	 0.3762376189	 3.1068676397	 0.118491
+H	-0.4173776704	-0.9097846594	 2.7030924913	 0.100243
+H	-1.3751078975	 3.3791741879	 2.6876865321	 0.102882
+H	-0.0305535919	 2.8051726687	 0.3854291314	 0.104261
+19
+0 5010	2.8398162	1.5742584	1.2857048	2.4566	73.49	-0.25299	0.06807	0.32106	1030.0087	0.158157	-422.513193	-422.505578	-422.504634	-422.545216	30.329
+O	 1.7817758888	 0.1014430289	 0.0330976085	-0.414148
+C	 0.4132803617	 0.478621195	 0.0697868261	-0.181081
+C	-0.083918247	 0.9883770827	-1.2618111353	 0.265403
+C	-1.5675809674	 1.4580102334	-1.5000602642	-0.271049
+C	-0.919188573	 2.1515552541	-2.7488815759	-0.081041
+C	 0.3193103594	 2.381599323	-1.8417690222	-0.271133
+C	-0.5124130039	 0.8943339279	-3.5517015549	 0.036181
+O	 0.8928450202	 0.5921318046	-3.563330739	-0.257641
+C	 0.0806195661	 0.0705137177	-2.5003384745	 0.019383
+H	 2.2865860328	 0.8567947327	-0.2859931456	 0.288359
+H	-0.1339668309	-0.428368668	 0.3547582234	 0.107111
+H	 0.2222303576	 1.2295920864	 0.8537303527	 0.084254
+H	-2.3193743195	 0.6830217185	-1.679794311	 0.094337
+H	-1.9252327123	 2.164960073	-0.746045549	 0.098875
+H	-1.4080740441	 2.9658811868	-3.2820485856	 0.067977
+H	 1.2910578902	 2.4863385875	-2.3218928536	 0.116872
+H	 0.1446031136	 3.1791212637	-1.1164202112	 0.093935
+H	-1.0911778668	 0.526992035	-4.3921438009	 0.101082
+H	 0.0204984744	-1.0097702829	-2.4222053377	 0.102325
+19
+0 5011	2.9924193	1.5080545	1.3183575	2.0039	73.47	-0.24662	0.07079	0.31741	1031.7562	0.158508	-422.511253	-422.503749	-422.502805	-422.543037	30.354
+O	 0.6058308011	 0.756937741	 1.0978831982	-0.419231
+C	 0.6241635512	 0.3319611375	-0.2544628104	-0.173547
+C	-0.3248444289	 1.1588351769	-1.0834617596	 0.38944
+C	-0.8588831636	 0.7783465036	-2.4836759637	-0.308263
+C	-2.0269946793	 1.6220291001	-1.9281193155	 0.059808
+O	-1.729643951	 1.0353313507	-0.6073995767	-0.352068
+C	-1.4818605441	 3.0534841063	-1.7595565482	-0.040083
+C	-0.1774625774	 3.435164997	-2.4144470818	-0.316163
+C	-0.1607683898	 2.6958028607	-1.1012180862	-0.066802
+H	-0.3201182844	 0.755958198	 1.3688519094	 0.297476
+H	 1.6505729063	 0.4593861316	-0.6149336753	 0.113854
+H	 0.3600274943	-0.7322438442	-0.3475258461	 0.093626
+H	-0.3272095767	 1.0692996909	-3.3894560305	 0.098932
+H	-1.1309139168	-0.2763830113	-2.5162634806	 0.112382
+H	-3.0620175187	 1.488674879	-2.2403698936	 0.080569
+H	-2.1407240479	 3.8171602617	-1.3649583353	 0.095716
+H	 0.1515999147	 2.9690359908	-3.3354170714	 0.114599
+H	 0.0797842611	 4.489011543	-2.3566579122	 0.114954
+H	 0.19684808	 3.1721182167	-0.1980097204	 0.1048
+19
+0 5012	2.9159779	1.3490652	1.1629074	2.9906	76.03	-0.24013	0.07978	0.31991	1143.7925	0.15514	-422.465158	-422.456625	-422.45568	-422.498349	32.272
+C	 1.3347995765	 0.0567126173	 0.9504100873	-0.383416
+C	 0.7590080178	-0.0189737886	-0.4681804808	-0.320092
+C	 1.6329731133	-0.7759664453	-1.4199816879	 0.298789
+C	 2.1965976572	-2.2274632027	-1.3770732932	-0.268904
+C	 2.9135351328	-1.4729795624	-2.5221392682	-0.07029
+O	 3.0410853645	-0.3015631077	-1.6238531081	-0.350296
+C	 1.5485188913	-0.926046931	-2.9526507327	 0.523436
+C	 0.5290092931	-1.1982371593	-3.9543502151	-0.30953
+O	 1.2577944517	 0.0569981521	-3.893250455	-0.285037
+H	 1.4287373897	-0.9393300316	 1.3947000618	 0.117412
+H	 2.3279127609	 0.5132770164	 0.9373048288	 0.142801
+H	 0.6889662982	 0.6548113782	 1.5993214616	 0.114613
+H	-0.2285168941	-0.4976144974	-0.4575907865	 0.106276
+H	 0.6157281579	 0.9888755258	-0.8755339631	 0.126122
+H	 2.8374865264	-2.4321559481	-0.51976198	 0.113858
+H	 1.5277713285	-3.055346638	-1.6282898819	 0.09685
+H	 3.7845675361	-1.7571999061	-3.1102049563	 0.103117
+H	 0.7589354928	-1.8203830843	-4.8176533897	 0.122941
+H	-0.5267806246	-1.1288124073	-3.6976521108	 0.12135
+19
+0 5013	2.2445264	1.7796618	1.3245571	0.6518	75.8	-0.23802	0.0882	0.32622	1045.1332	0.156229	-422.471866	-422.463557	-422.462613	-422.504622	31.628
+C	 1.4455404639	-0.0852398569	-0.1479148978	-0.270115
+O	 0.0266160086	-0.0719200193	-0.0470409179	-0.291522
+C	-0.4422666574	 0.6241824992	 1.0360145328	 0.342353
+C	-0.2031631932	 2.1285801087	 1.440810208	-0.302447
+C	-1.1874544555	 1.5545217764	 2.5088688747	-0.164111
+C	-1.9448902034	 0.854420249	 1.3344864247	-0.283002
+C	-0.2964548199	 0.3067862237	 2.5415456948	 0.475814
+C	-0.1765625097	-0.8852741166	 3.3619698759	-0.321624
+O	 0.8879886224	 0.1038074991	 3.2728081075	-0.309351
+H	 1.910034724	-0.4668938546	 0.7687575826	 0.135552
+H	 1.6961428595	-0.7387700245	-0.9857586193	 0.127702
+H	 1.8387953905	 0.9208320953	-0.3479260027	 0.116204
+H	 0.7930314522	 2.4004252685	 1.7936441292	 0.112581
+H	-0.6212125365	 2.8742880115	 0.7604165678	 0.096014
+H	-1.623859017	 2.0842777888	 3.3504529873	 0.091368
+H	-2.5416970705	-0.0272963292	 1.5789482205	 0.099471
+H	-2.4625489581	 1.5245977924	 0.6454751691	 0.101735
+H	-0.6671564473	-0.937979683	 4.33254802	 0.120689
+H	 0.0522914275	-1.8462743087	 2.9045061927	 0.122689
+19
+0 5014	2.1668419	1.8262918	1.3197017	2.8081	75.53	-0.2611	0.07322	0.33432	1036.9179	0.157048	-422.482812	-422.47469	-422.473746	-422.515323	31.531
+O	 1.3671757872	 0.7607349838	 0.1350299867	-0.426061
+C	 0.356189239	-0.1657923234	 0.5039431699	-0.191433
+C	-0.907910707	 0.5514373348	 0.8885468984	 0.212515
+C	-2.2790591176	 0.0256120881	 1.4237383936	-0.28422
+C	-2.4267984674	 1.5839472265	 1.4282646187	-0.155859
+C	-1.7333716616	 1.5712515842	 0.0285739351	-0.257862
+C	-1.0113139944	 1.5948987045	 2.0111876383	 0.502399
+C	-0.3859717649	 1.7866798198	 3.3087135331	-0.319829
+O	-0.1299573736	 2.6861825182	 2.1908944322	-0.310348
+H	 1.3366583516	 1.4901050047	 0.766969603	 0.294289
+H	 0.1950696768	-0.8194535749	-0.3608028342	 0.10927
+H	 0.6821846085	-0.8084735616	 1.340391517	 0.083639
+H	-2.8995172877	-0.4998992593	 0.6945144917	 0.101667
+H	-2.2762143466	-0.4795930518	 2.3932011889	 0.097151
+H	-3.2925816354	 2.1662992895	 1.7399756799	 0.084436
+H	-2.3155472247	 1.1381301931	-0.7888822312	 0.093816
+H	-1.2181680894	 2.4832914693	-0.2755454095	 0.11716
+H	-0.9467754366	 2.2344120056	 4.1272090279	 0.126188
+H	 0.4651902536	 1.178928999	 3.6114574303	 0.12308
+19
+0 5015	2.2147314	1.7455893	1.2954522	1.9922	75.91	-0.23936	0.0721	0.31145999999999996	1055.8683	0.156086	-422.46739	-422.45905	-422.458106	-422.500094	32.324
+O	 1.362592277	-0.2648777351	 1.1976486555	-0.414805
+C	 0.5685479217	 0.2347699358	 0.1363840332	-0.194711
+C	-0.4456971793	 1.2118883358	 0.6498729723	 0.289462
+C	-1.6555587694	 1.9148795166	-0.0215270908	-0.276178
+C	-1.7503149862	 2.1079414868	 1.5138773206	-0.049925
+O	-1.392635394	 0.6742369541	 1.6810684254	-0.359434
+C	-0.2589392201	 2.4489209658	 1.5467183538	 0.43228
+C	 0.5501054684	 3.6941775617	 1.4445884896	-0.366411
+C	 0.6934511222	 2.7525781434	 2.6411865189	-0.362717
+H	 0.7499435007	-0.4957351952	 1.9069148348	 0.298164
+H	 1.2433641971	 0.7299643938	-0.5705372575	 0.116093
+H	 0.0505766606	-0.5739660122	-0.4032763397	 0.102505
+H	-1.4569904026	 2.7941347837	-0.6382764835	 0.101756
+H	-2.4015233858	 1.2415644944	-0.4459876489	 0.10582
+H	-2.5723106241	 2.4921647229	 2.1175477672	 0.097449
+H	 1.3636142389	 3.730369576	 0.7265761911	 0.117796
+H	 0.0598997885	 4.6488699149	 1.6080839657	 0.115481
+H	 1.5932530613	 2.151193197	 2.7054642028	 0.132418
+H	 0.3012283248	 3.0884287196	 3.5958180697	 0.114956
+19
+0 5016	2.2268068	1.5172842	1.1579401	0.8917	76.09	-0.23883	-0.03686	0.20196999999999998	1142.3398	0.154781	-422.503798	-422.494843	-422.493898	-422.537933	32.695
+C	 1.3752084154	-0.3169542945	 1.128317605	-0.385234
+C	 0.9965804974	 0.147303933	-0.2819163699	-0.325245
+C	 1.6977774901	-0.618628866	-1.3622091061	 0.435662
+C	 1.7207297367	-0.3779287692	-2.897543599	-0.286595
+C	 2.7882205769	-1.4288657322	-2.5415905018	 0.027724
+O	 3.1986098205	-0.6064505121	-1.3947400189	-0.345315
+C	 1.7724794211	-2.1597510448	-1.5940750396	-0.120209
+C	 0.6157212816	-2.9508590565	-2.1309834557	 0.118759
+O	-0.4672458417	-2.4991900405	-2.4176067997	-0.253085
+H	 1.074983581	-1.3560440038	 1.2980914755	 0.117136
+H	 2.4560598134	-0.2501758087	 1.2793551329	 0.138906
+H	 0.8828130293	 0.3000064274	 1.8849742183	 0.11696
+H	-0.0815281484	 0.0406265494	-0.4510213581	 0.126902
+H	 1.2367042277	 1.2096695454	-0.4101649226	 0.114245
+H	 0.8465136847	-0.6800461135	-3.4733607047	 0.126258
+H	 2.1282228184	 0.5890856527	-3.1945304214	 0.108489
+H	 3.574172736	-1.8736524031	-3.1515547722	 0.101648
+H	 2.2962061085	-2.7100857888	-0.8070722191	 0.099724
+H	 0.8242489314	-4.0390930841	-2.2505537329	 0.08327
+19
+0 5017	2.8127831	1.2986488	1.0956111	2.8603	76.83	-0.24364	-0.02538	0.21826	1172.4363	0.155735	-422.506826	-422.498076	-422.497132	-422.540755	31.971
+C	 1.4447383252	-0.1821202639	-0.0645764154	-0.266106
+O	 0.0356026092	-0.1282342379	 0.0800093468	-0.290298
+C	-0.3893220978	 0.5797450986	 1.1770910243	 0.426904
+C	-0.2285579207	 2.1042778981	 1.4890987293	-0.295156
+C	-1.1154127403	 1.5092306029	 2.6220692784	-0.063273
+C	-0.1225441828	 0.3095605718	 2.6935839317	-0.299061
+C	-1.9098370515	 0.7555989014	 1.5155353067	-0.1193
+C	-2.7477157941	-0.4520571244	 1.8255657184	 0.116666
+O	-2.9069846531	-0.9382290514	 2.9189415078	-0.249914
+H	 1.9199936482	-0.6660989658	 0.7992952814	 0.119469
+H	 1.6486647908	-0.7711436628	-0.9606453141	 0.133778
+H	 1.8762093813	 0.8205951901	-0.1887866086	 0.11657
+H	 0.7661514182	 2.4423473917	 1.7897440061	 0.095275
+H	-0.7070088419	 2.8009094144	 0.7959834723	 0.096207
+H	-1.545116232	 2.0447666743	 3.4636101804	 0.094319
+H	 0.8806088964	 0.5495357282	 3.0546485228	 0.091561
+H	-0.5013305026	-0.61768525	 3.1187721882	 0.128702
+H	-2.43607666	 1.3846407996	 0.7870538164	 0.082342
+H	-3.2496808924	-0.890169555	 0.9322380573	 0.081314
+19
+0 5018	2.4501818	1.3654021	1.0874187	2.9237	76.55	-0.24628	-0.02806	0.21822	1166.1636	0.15627	-422.515832	-422.507099	-422.506155	-422.549654	32.226
+O	-0.1903194903	 0.4080664826	 0.8955143043	-0.411307
+C	 0.6907572888	-0.0843712107	-0.1031638216	-0.208337
+C	 0.3576986901	 0.4380089979	-1.4762350931	 0.305086
+C	 1.1130520865	 0.1899324363	-2.8166426441	-0.279678
+C	-0.0777547961	 1.1301391345	-3.1754900984	-0.053303
+C	-0.965766865	 0.2202771898	-2.2781630441	-0.278507
+C	 0.232350657	 1.9618771956	-1.8999675707	-0.08355
+C	 1.4313679991	 2.8594041951	-1.81549503	 0.109094
+O	 2.2607142876	 3.0149938092	-2.6797156312	-0.250575
+H	-1.0756327019	 0.0952796866	 0.6826939008	 0.285816
+H	 1.6933536212	 0.2430759368	 0.193495396	 0.118811
+H	 0.7043683434	-1.1865075802	-0.1267073869	 0.094165
+H	 2.1151325429	 0.6031026315	-2.9165106921	 0.127494
+H	 1.0520891313	-0.8289267194	-3.208935419	 0.091781
+H	-0.3270277644	 1.5304908738	-4.157260983	 0.085448
+H	-1.8767413701	 0.6676413852	-1.8686048225	 0.089674
+H	-1.1427945936	-0.7950865129	-2.6439476134	 0.095078
+H	-0.622015931	 2.4603669969	-1.4269923839	 0.081437
+H	 1.5107684945	 3.4121919915	-0.8504562471	 0.081374
+19
+0 5019	2.334645	1.7603505	1.2701596	1.9667	75.73	-0.22815	0.00747	0.23562	1053.3481	0.156482	-422.521903	-422.513421	-422.512477	-422.554665	32.619
+C	 1.3295611588	 0.7065752882	 0.2279104022	-0.521963
+C	-0.0424394058	 0.1413201035	 0.119282633	 0.333413
+C	-0.529569793	-1.1005117179	 0.1982806386	-0.209078
+C	-2.0310370955	-0.8636750109	-0.0260704334	 0.021589
+C	-2.3099253093	 0.3404202138	 0.9208544283	-0.273335
+C	-1.3450632601	 0.9514526154	-0.1419613497	 0.286497
+C	-1.2858560832	 2.3946770341	-0.5656097549	-0.18443
+O	-0.5691770362	 2.5255051492	-1.7829789096	-0.41856
+O	-2.0179466161	 0.096659807	-1.1412048785	-0.333775
+H	 1.415074703	 1.384594933	 1.0875999011	 0.126088
+H	 2.0777830776	-0.0815356738	 0.3482193277	 0.124357
+H	 1.5714872309	 1.2983600375	-0.6613247831	 0.152694
+H	-0.0311522848	-2.0430336048	 0.3728234785	 0.104822
+H	-2.7112880705	-1.7029591628	-0.1614662345	 0.081304
+H	-3.3291805533	 0.726440137	 0.8344393567	 0.104305
+H	-1.9771496705	 0.277723025	 1.9586228766	 0.097905
+H	-2.3079823007	 2.7923094924	-0.6548385464	 0.09877
+H	-0.7565909776	 2.9927004651	 0.1842821908	 0.110646
+H	-0.9363327836	 1.866116949	-2.3844153136	 0.29875
+19
+0 5020	3.2867538	1.4049914	1.2088393	1.122	75.09	-0.23242	0.00937	0.24178999999999998	1073.177	0.157756	-422.548158	-422.540144	-422.5392	-422.580518	31.327
+O	 1.5177626921	 0.7494978402	-0.0515976441	-0.425225
+C	 0.142005332	 0.4292962766	 0.0950501846	-0.179319
+C	-0.6238457794	 1.2160703044	-0.9456765642	 0.411267
+C	-0.5779424876	 0.7698398884	-2.4275481295	-0.268421
+C	-2.0725785236	 1.1606119521	-2.3542114553	 0.035083
+O	-2.046546026	 0.8913078401	-0.9137346811	-0.334738
+C	-2.210052526	 2.6558044467	-2.5541244652	-0.057876
+C	-1.4262176216	 3.4165466184	-1.7905166552	-0.067813
+C	-0.4794910198	 2.7450201786	-0.8184401749	-0.284626
+H	 2.0140316499	 0.2555184522	 0.6067801932	 0.293605
+H	-0.0499176538	-0.6427235329	-0.0585250585	 0.092698
+H	-0.2377550494	 0.699501909	 1.093952426	 0.094295
+H	 0.0634376557	 1.3079122653	-3.1262870063	 0.10401
+H	-0.4305591542	-0.3091868463	-2.5086130788	 0.100519
+H	-2.8222613076	 0.5588521253	-2.8710278097	 0.072173
+H	-2.9069944466	 3.0574784957	-3.2816029315	 0.089466
+H	-1.4481233981	 4.5017311121	-1.8307361942	 0.092912
+H	 0.5598670165	 3.0397225199	-1.003359107	 0.124985
+H	-0.7098277626	 3.0500008642	 0.2119794216	 0.107004
+19
+0 5021	2.6563218	1.5492838	1.1682789	4.2204	74.35	-0.25969	0.01529	0.27498	1101.7212	0.157772	-422.584866	-422.576775	-422.575831	-422.617677	30.978
+C	 2.507248393	 0.1050937605	 1.1976886677	-0.398315
+C	 1.6194842297	 0.2531316144	-0.0410149464	-0.284986
+C	 2.2956096065	-0.1038788746	-1.3446480541	 0.1413
+C	 3.6212336987	 0.5448932021	-1.9012944863	-0.276387
+C	 3.5190457302	-0.6580298818	-2.8611877806	 0.096103
+C	 2.9752178519	-1.4872824804	-1.6798925234	-0.276391
+O	 2.3052189047	-0.3544718741	-3.6167186969	-0.250542
+C	 1.4498271199	 0.0268500019	-2.6124976481	 0.455214
+O	 0.3174411461	 0.3688883987	-2.7768578109	-0.362844
+H	 2.8552116457	-0.9256842198	 1.3232567588	 0.117797
+H	 3.389476368	 0.7514614333	 1.1408060747	 0.117783
+H	 1.9557621507	 0.3791058535	 2.101561441	 0.121872
+H	 0.7238910112	-0.3715085702	 0.062516016	 0.117329
+H	 1.2508764611	 1.2833184496	-0.1173747015	 0.117309
+H	 3.5656420072	 1.5435188915	-2.3406020885	 0.119082
+H	 4.4528137554	 0.4693323209	-1.1981259768	 0.113686
+H	 4.298464169	-0.9804861068	-3.5466815349	 0.099217
+H	 2.3318965489	-2.3375071649	-1.9177781828	 0.119084
+H	 3.7427058222	-1.7644404938	-0.9547549768	 0.113689
+19
+0 5022	2.6281716	1.5757404	1.1749866	2.6329	74.87	-0.22895	-0.01608	0.21286999999999998	1101.6799	0.156682	-422.562917	-422.554592	-422.553648	-422.595885	31.702
+C	 1.4643096556	-1.0991758135	 1.1670375922	-0.397475
+C	 1.2222378366	-0.2071823223	-0.053281179	-0.294404
+C	 1.8668131961	-0.6970051208	-1.318110756	 0.303032
+C	 1.8079200555	-2.1361756807	-1.905403934	-0.290508
+C	 3.1360631973	-1.6360715672	-2.5105836634	 0.074239
+C	 2.7184572161	-0.5678083215	-3.5364498776	-0.34299
+C	 1.7175684821	 0.1477546113	-2.6027568752	 0.422794
+O	 1.0195239686	 1.1028396309	-2.79933373	-0.33279
+O	 3.3398768112	-0.8195194251	-1.3103471024	-0.33429
+H	 1.014637575	-2.0890504639	 1.037554497	 0.114975
+H	 2.5353121898	-1.2356172863	 1.3403644259	 0.136069
+H	 1.0265872286	-0.6520977596	 2.0639496655	 0.116773
+H	 0.1493286327	-0.0950522322	-0.2512137662	 0.11885
+H	 1.5976083013	 0.8057671071	 0.1364014793	 0.12296
+H	 1.963817718	-2.8888546141	-1.1319738775	 0.121796
+H	 0.9848242585	-2.4092392956	-2.5717940061	 0.107072
+H	 3.9695652452	-2.2969186869	-2.7432119114	 0.090757
+H	 3.5467316622	 0.0871212081	-3.8172415719	 0.137901
+H	 2.2368729696	-0.9456988379	-4.4428728588	 0.125239
+19
+0 5023	2.5760976	1.6508854	1.2093041	3.9984	75.5	-0.23124	-0.00476	0.22648000000000001	1074.7523	0.157162	-422.555834	-422.547645	-422.546701	-422.588613	31.288
+C	 1.2538675739	-0.1226919084	-0.0936690629	-0.260272
+O	-0.1490747895	-0.0511983611	 0.0630535429	-0.290513
+C	-0.6028455001	 0.6381361301	 1.1605220919	 0.331496
+C	-0.2382462287	 0.3282700459	 2.6619381496	-0.303132
+C	-0.8654248962	 1.7328214289	 2.8886216648	-0.031423
+C	-0.275082771	 2.1395968295	 1.5089379448	-0.303129
+C	-2.3491724216	 1.4886163904	 2.5523792456	-0.333611
+C	-2.1305369444	 0.6728290143	 1.2638323614	 0.405869
+O	-2.9373688275	 0.1852073824	 0.5235738264	-0.333346
+H	 1.7365460404	-0.6339508949	 0.7506492293	 0.112222
+H	 1.4366345534	-0.6982124174	-1.0033455728	 0.13624
+H	 1.706170832	 0.8720632224	-0.2082545971	 0.112219
+H	-0.7037516199	-0.5378464053	 3.1399393314	 0.10764
+H	 0.8412480393	 0.3214931271	 2.8276389148	 0.106872
+H	-0.6382693227	 2.3073258595	 3.7839044948	 0.077937
+H	-0.7741819811	 2.9253181898	 0.9354581268	 0.10764
+H	 0.800531384	 2.3237681543	 1.5530683604	 0.106871
+H	-2.8877847337	 0.9049976367	 3.3054206091	 0.125211
+H	-2.9182183764	 2.4018798559	 2.3525743887	 0.125212
+19
+0 5024	2.5696531	1.5491219	1.1531539	3.0396	74.84	-0.23481	-0.00844	0.22637	1095.4816	0.157717	-422.571306	-422.563069	-422.562125	-422.60414	31.587
+O	-0.9002535991	-0.2759055124	-1.3331467516	-0.41817
+C	-0.0823962663	 0.329899071	-0.3400152514	-0.193283
+C	-0.7453798497	 1.5058361251	 0.3346661352	 0.197562
+C	-1.3322691541	 2.7360615737	-0.4433822276	-0.265092
+C	-2.0898145248	 2.9880041015	 0.8900673932	-0.028197
+C	-2.15174598	 1.441256124	 1.0358136397	-0.28353
+C	-0.9388899917	 3.3528579506	 1.8479627363	-0.333518
+C	 0.0395219843	 2.2384583667	 1.4173416396	 0.410069
+O	 1.1450677473	 2.0005048162	 1.8268954588	-0.345414
+H	-1.6050301443	-0.752047141	-0.8838104143	 0.283821
+H	 0.2432828863	-0.3977032111	 0.4180354419	 0.103499
+H	 0.8209007997	 0.6698150699	-0.857299617	 0.124383
+H	-0.6350751157	 3.500757146	-0.7986777224	 0.101607
+H	-1.9807088925	 2.4044876861	-1.2563265894	 0.119153
+H	-2.9905894235	 3.5986427521	 0.929913974	 0.073624
+H	-2.2131243784	 1.0122802364	 2.0407922785	 0.101622
+H	-2.9015426025	 0.9891158654	 0.3816381016	 0.103485
+H	-0.5103828999	 4.3450541754	 1.6750576642	 0.125023
+H	-1.1930684552	 3.2693439745	 2.9093497606	 0.123356
+19
+0 5025	3.1713632	1.4355001	1.2496502	2.294	75.29	-0.2375	0.00514	0.24264	1063.591	0.158062	-422.550172	-422.542301	-422.541357	-422.582354	31.104
+O	 1.3371701074	 0.8883418804	 0.1305058623	-0.420318
+C	 0.3679122308	-0.0438781715	 0.5751909532	-0.158904
+C	-0.8526165899	 0.6612909741	 1.1174127813	 0.350381
+C	-2.1784436162	-0.0968121995	 1.3732094717	-0.295827
+C	-2.775169527	 1.1995874748	 0.782669436	 0.088344
+C	-2.91761685	 2.3041019216	 1.8408595029	-0.262281
+C	-1.6154400899	 2.416607077	 2.6074473391	-0.080251
+C	-0.6004758832	 1.6241832837	 2.2655802329	-0.077888
+O	-1.5336337829	 1.4202030133	 0.0502978383	-0.344072
+H	 0.8847428218	 1.4808684988	-0.4815505904	 0.29761
+H	 0.0600318629	-0.7261302739	-0.2316196221	 0.090018
+H	 0.8394395916	-0.6409881178	 1.3642960838	 0.108607
+H	-2.3079840985	-0.9421243946	 0.6936261005	 0.104672
+H	-2.421610689	-0.3760234943	 2.3993837588	 0.102342
+H	-3.6387245526	 1.1295419217	 0.1162478578	 0.076533
+H	-3.1598892518	 3.2582436828	 1.3545984884	 0.11645
+H	-3.7547675044	 2.0786862011	 2.5156009147	 0.107344
+H	-1.5375545921	 3.1500125537	 3.4046715233	 0.0953
+H	 0.3683004031	 1.6453332086	 2.7516652076	 0.101941
+19
+0 5026	2.2017727	1.394858	1.2471672	2.9155	75.85	-0.23881	0.01009	0.24889999999999998	1133.9713	0.155777	-422.530241	-422.521091	-422.520147	-422.564249	33.568
+C	-0.7782874334	 0.0332527114	 2.4435644316	-0.44288
+C	-1.3974145395	 0.071549521	 1.0560228277	-0.016024
+C	-0.8119953124	 1.0159363536	-0.0552382171	-0.184237
+C	-1.5373588854	 0.085152594	-1.0851012168	-0.271109
+C	-0.9177374538	-0.9353440246	-0.0666856786	 0.162443
+C	-1.018017311	-2.4353423449	-0.0771956062	-0.206284
+O	-2.3610888452	-2.9024166906	-0.0852786591	-0.410605
+C	 0.3196439844	-0.0161132275	-0.1463007852	 0.411781
+O	 1.5066329659	-0.0855872566	-0.2364013078	-0.336081
+H	-1.1382817031	-0.8321971227	 3.0111274834	 0.117177
+H	 0.3141638391	-0.0252376641	 2.4033490331	 0.140589
+H	-1.0451944092	 0.9303092078	 3.0120736754	 0.126589
+H	-2.4902462628	 0.1371442089	 1.0982225398	 0.077105
+H	-0.7700247092	 2.1029086558	-0.0498990461	 0.093005
+H	-2.6276327611	 0.1381132448	-1.0575844124	 0.112455
+H	-1.1558360081	 0.0694332032	-2.1074905239	 0.113559
+H	-0.55985739	-2.8281734303	-0.9910017557	 0.126587
+H	-0.4503945172	-2.850614655	 0.7703085725	 0.101956
+H	-2.767684948	-2.6426925742	 0.7474551154	 0.283975
+19
+0 5027	2.2616886	1.4182428	1.2923624	3.8759	75.81	-0.23469	0.01635	0.25104	1122.9948	0.155743	-422.535368	-422.52632	-422.525375	-422.569115	33.569
+C	 1.0242648251	-0.2435740372	 0.9599074951	-0.386558
+C	 0.8099376988	 0.2045979432	-0.4924296982	-0.325591
+C	 1.6481915551	-0.5702057326	-1.471888537	 0.161747
+C	 3.2130199517	-0.6409902846	-1.6195968872	-0.290095
+C	 2.7198803234	-1.5822880558	-2.7718582896	-0.202318
+C	 1.656242343	-0.4879725367	-3.0471315838	 0.101565
+O	 0.5324516688	-0.921132305	-3.7600683033	-0.435683
+C	 1.7231083876	-2.0930500421	-1.7144373952	 0.434516
+O	 1.2850579208	-3.1086071626	-1.2717495841	-0.333974
+H	 0.8042300788	-1.3090450341	 1.0713691194	 0.14705
+H	 2.059773184	-0.0786047304	 1.2751146963	 0.117563
+H	 0.3750572471	 0.3139906913	 1.6411449269	 0.114208
+H	-0.2457615063	 0.0704516909	-0.7635059023	 0.106152
+H	 1.0210479789	 1.2774499293	-0.5913114371	 0.099607
+H	 3.6806096567	 0.2868958419	-1.959123278	 0.106217
+H	 3.7744657111	-1.1043695446	-0.8086980002	 0.121942
+H	 3.3203639865	-2.1242473523	-3.4976383214	 0.097857
+H	 2.0720971383	 0.4508979581	-3.4360632892	 0.075706
+H	-0.1330691695	-0.2260879665	-3.7403727713	 0.290088
+19
+0 5028	2.1292235	1.636606	1.1368707	2.8236	76.31	-0.24858	-0.0066	0.24198	1153.5937	0.154509	-422.511478	-422.502218	-422.501274	-422.54555	33.821
+C	 1.4099691239	 0.8663785575	 0.290714197	-0.388584
+C	 0.9231674582	-0.5303464849	-0.1171558682	-0.331984
+C	 1.7784649543	-1.1456058779	-1.1783420015	 0.277552
+O	 1.9652768315	-0.4096303113	-2.4785585191	-0.338349
+C	 2.741970928	-1.6573733514	-2.6971244049	-0.089338
+C	 1.6047232843	-2.4610117067	-2.0078480886	-0.033907
+C	 0.304039648	-2.6447280541	-2.772407782	-0.435136
+C	 3.3150423781	-1.3553908579	-1.2918211321	 0.449628
+O	 4.3303418132	-1.2126241368	-0.6920704078	-0.324256
+H	 0.7639849076	 1.2904406385	 1.0641724412	 0.115149
+H	 2.4308725125	 0.8232648059	 0.6807599223	 0.142073
+H	 1.4065043438	 1.5415322996	-0.5690515639	 0.139594
+H	 0.9320594302	-1.206942473	 0.7467335943	 0.118007
+H	-0.1140380013	-0.4891874032	-0.47183286	 0.116708
+H	 3.2094877871	-1.7932328592	-3.6700008064	 0.110209
+H	 1.924624959	-3.3755715355	-1.4954578056	 0.086507
+H	-0.5052766812	-2.9331213387	-2.0935855308	 0.122096
+H	 0.0196276108	-1.7216062406	-3.2809040591	 0.141359
+H	 0.405506802	-3.4378404903	-3.5199114247	 0.122673
+19
+0 5029	2.1814756	1.5082166	1.3652075	2.1952	76.13	-0.22727	0.00935	0.23662	1097.0729	0.155353	-422.519485	-422.510349	-422.509405	-422.553408	33.308
+C	 1.3392200518	-0.1842542704	-0.1028323747	-0.273253
+O	-0.0734651461	-0.0778411382	 0.0438202976	-0.291373
+C	-0.4632616778	 0.5910074939	 1.1664645328	 0.315965
+C	-0.3725481849	 0.1561990491	 2.6879755626	-0.313197
+C	-1.1406939661	 1.5159142629	 2.7268905363	-0.189484
+C	-1.9409375422	 0.9990990898	 1.4728067506	-0.02801
+C	-2.668360098	 1.9673339069	 0.5565321165	-0.44384
+C	-0.0916455098	 1.9927472285	 1.7078747678	 0.376515
+O	 0.6243954412	 2.9194246868	 1.4785339252	-0.3446
+H	 1.7776948993	-0.792224881	 0.7001497663	 0.116134
+H	 1.5190198117	-0.6766566771	-1.0600329946	 0.133459
+H	 1.8127340858	 0.8041844746	-0.1037203842	 0.145321
+H	-0.9823345701	-0.7154032883	 2.9342572833	 0.111662
+H	 0.6106043746	 0.1216172047	 3.1596943306	 0.111867
+H	-1.5331793853	 2.0253485081	 3.6005535719	 0.09994
+H	-2.5544970748	 0.1273069364	 1.7210139068	 0.082386
+H	-3.5992118038	 2.3136645343	 1.0171819947	 0.121435
+H	-2.0593370651	 2.8468900639	 0.3244959845	 0.136542
+H	-2.9247157404	 1.478578265	-0.3887475539	 0.132531
+19
+0 5030	2.5889083	1.6764761	1.2761624	2.1041	74.83	-0.24161	-0.00302	0.23859	1041.2663	0.156405	-422.517771	-422.509425	-422.50848	-422.550255	32.634
+C	 1.0093192137	-0.6775938823	-0.9692461362	-0.418528
+C	 0.8560991911	 0.1056907422	 0.324802765	-0.002084
+C	 1.7300725858	 1.3992640171	 0.4683086733	 0.001352
+O	 2.8641112488	 0.539245764	 0.8278410637	-0.334142
+C	 1.8191548775	-0.2287767576	 1.5341758104	 0.328021
+C	 2.2775630763	-1.5983691078	 1.9676794699	-0.186135
+O	 2.8824164484	-2.3212088476	 0.9153546509	-0.41528
+C	 1.3428814278	 0.8023251165	 2.5745776661	-0.128094
+C	 1.2877274414	 1.9180188531	 1.8443828939	-0.089873
+H	 0.6531611453	-1.7048741426	-0.8524419097	 0.129785
+H	 0.4179682128	-0.2053589931	-1.7621319108	 0.10843
+H	 2.0506149568	-0.7174633448	-1.2935873666	 0.121847
+H	-0.1956505372	 0.2218185028	 0.5997815276	 0.071403
+H	 1.9300611996	 2.0892579773	-0.3507924864	 0.079223
+H	 2.9644419018	-1.4837189284	 2.8227725328	 0.099092
+H	 1.4178180082	-2.1832910233	 2.3136469863	 0.114153
+H	 3.4973677829	-1.7094079482	 0.4926618082	 0.295393
+H	 1.1136706384	 0.6186185697	 3.6143129631	 0.111641
+H	 0.9961859807	 2.9244839531	 2.1061443984	 0.113798
+19
+0 5031	2.429378	1.6673461	1.2433879	1.2343	75.47	-0.24539	-0.00138	0.24401	1074.0313	0.156516	-422.526852	-422.51859	-422.517646	-422.55948	32.364
+C	 1.2312969601	-0.3623602886	 1.1519937535	-0.38036
+C	 0.72829457	 0.0022737988	-0.250154965	-0.312762
+C	 1.4439884151	-0.7431135117	-1.3427199672	 0.337002
+O	 2.9237845367	-0.6143922571	-1.3331185844	-0.350198
+C	 2.8144109634	-1.1318197676	-2.7032772176	-0.04787
+C	 2.1921076923	-2.5049413117	-2.4971523006	-0.085416
+C	 1.261676775	-2.2415493888	-1.5725165997	-0.12744
+C	 1.529024889	-0.2350264271	-2.8469371191	 0.148422
+O	 1.7469201014	 1.1264925291	-3.0041899154	-0.443706
+H	 1.0689839953	-1.4227487068	 1.3704410527	 0.118106
+H	 2.3035371688	-0.1674006288	 1.2377277427	 0.139412
+H	 0.7115675211	 0.223097548	 1.9158355634	 0.112844
+H	-0.344697826	-0.2094897898	-0.3399219916	 0.103699
+H	 0.8469310129	 1.0774006765	-0.4276226343	 0.104694
+H	 3.70931604	-0.9992551824	-3.3097001875	 0.082739
+H	 2.4277331161	-3.4176345085	-3.0241813604	 0.113318
+H	 0.5146399455	-2.878677421	-1.1212435546	 0.111184
+H	 0.7495792979	-0.5460594082	-3.5451364653	 0.089842
+H	 2.4570082952	 1.3504283856	-2.3857234796	 0.286488
+19
+0 5032	2.5930998	1.6970779	1.2890555	1.8581	75.92	-0.22558	0.01546	0.24104	1035.2256	0.156409	-422.517005	-422.508556	-422.507612	-422.549649	32.747
+C	 1.3301132027	-0.0758198844	-0.1173533083	-0.262108
+O	-0.0751905132	-0.0813180811	 0.0786508361	-0.318531
+C	-0.5477237938	 0.6327292181	 1.1636819507	 0.395105
+C	-0.1695516706	 2.1163660307	 1.5272637429	-0.286902
+C	-0.9050137904	 1.7260492564	 2.8525573318	-0.133129
+C	-2.3068750882	 1.4081535038	 2.3448052359	-0.104731
+C	-2.0719803723	 0.6907797975	 1.2416204417	-0.128831
+C	-0.248443571	 0.2933489767	 2.6831137694	 0.088971
+O	 1.1267431819	 0.1986939405	 2.9691831971	-0.440145
+H	 1.8617763935	-0.5268841115	 0.7260534518	 0.135151
+H	 1.5161221172	-0.6586804389	-1.0225323925	 0.11958
+H	 1.7119394799	 0.9428860291	-0.2700933051	 0.109059
+H	 0.9006188962	 2.27174391	 1.674187113	 0.109697
+H	-0.6174277992	 2.9061297037	 0.9207697379	 0.093573
+H	-0.7787614459	 2.30065931	 3.7686129291	 0.062086
+H	-3.2436696789	 1.6692083993	 2.8162468821	 0.101616
+H	-2.7378060222	 0.2016112714	 0.5456746423	 0.106601
+H	-0.8159766313	-0.5447296568	 3.1066702484	 0.06653
+H	 1.2292905857	 0.0539004657	 3.9150498656	 0.286408
+19
+0 5033	2.6651945	1.6177072	1.2612693	1.8146	75.31	-0.23609	0.00755	0.24364	1038.6958	0.157659	-422.530372	-422.522286	-422.521342	-422.562479	32.284
+O	 1.4041938995	 0.7418492227	 0.077944839	-0.430349
+C	 0.0386289755	 0.3827420568	 0.2240537004	-0.195057
+C	-0.8423309217	 1.0369384416	-0.816085625	 0.253767
+C	-0.5943662037	 0.9074947515	-2.3600121922	-0.281196
+C	-1.5085017071	 2.1765602789	-2.4029854632	-0.127712
+C	-2.7929971668	 1.617575464	-1.7972591715	-0.09569
+C	-2.3602030235	 0.8788429243	-0.7669798252	-0.138754
+C	-0.7982629746	 2.6136833176	-1.0611812052	 0.137025
+O	 0.4670656668	 3.2320135467	-1.1310527817	-0.451291
+H	 1.4356879222	 1.7067023168	 0.0794198922	 0.286875
+H	-0.0037783326	-0.7091974067	 0.1320289219	 0.108835
+H	-0.3362356421	 0.6356196498	 1.230598285	 0.087085
+H	 0.4482890912	 1.0759640231	-2.6516175463	 0.090637
+H	-0.9713046901	 0.0069000095	-2.8497422739	 0.101165
+H	-1.5682308171	 2.8375788209	-3.267372374	 0.066539
+H	-3.8017281464	 1.8350521393	-2.1184937517	 0.105763
+H	-2.9206392733	 0.3331888401	-0.0201868779	 0.102842
+H	-1.3934500101	 3.2184675668	-0.3734663945	 0.089469
+H	 0.9679338339	 2.8448157261	-1.8576317061	 0.290048
+19
+0 5034	2.484059	1.58557	1.3182526	2.3872	75.33	-0.22389	-0.0172	0.20669	1065.4577	0.15678	-422.552773	-422.544379	-422.543435	-422.58571	31.737
+C	 1.2380159936	-0.1905347857	 1.0147113915	-0.388978
+C	 0.8152415897	 0.1963172599	-0.4088609205	-0.299618
+C	 1.5430273342	-0.5910871571	-1.460876454	 0.33481
+C	 1.2488418948	-0.5753774752	-2.9942472932	-0.305286
+C	 2.1717846764	-1.8434827406	-3.0035575266	-0.195103
+C	 3.4762134393	-1.2234202114	-2.48005367	-0.082627
+O	 2.9700219588	-0.3635123007	-1.4250085179	-0.317977
+C	 1.4895804331	-2.1326253674	-1.6446858268	 0.415375
+O	 0.9977207348	-3.0719507082	-1.0964868581	-0.323706
+H	 1.0266497443	-1.2463575704	 1.2069490959	 0.139334
+H	 2.309081371	-0.026634515	 1.1564922359	 0.135477
+H	 0.6968576108	 0.4064229885	 1.7541260842	 0.110658
+H	-0.2595972901	 0.0279568824	-0.5429702736	 0.108335
+H	 0.9944451833	 1.2643635158	-0.5830518977	 0.110133
+H	 0.2090183446	-0.7904504212	-3.2473119648	 0.12108
+H	 1.6224424196	 0.3006068514	-3.5288753339	 0.116713
+H	 2.2178560481	-2.5593292283	-3.8200618162	 0.096042
+H	 4.1698473388	-1.9633991956	-2.0646272022	 0.116143
+H	 4.0025907948	-0.6188334114	-3.2276644522	 0.109195
+19
+0 5035	2.5322663	1.4838573	1.1928377	2.7613	74.93	-0.22483	-0.01771	0.20712	1114.1062	0.156769	-422.548569	-422.540107	-422.539163	-422.581799	31.731
+C	 1.333608187	 0.9869652176	 0.377998047	-0.391067
+C	 0.9309748732	-0.4409679643	-0.0125118806	-0.291809
+C	 1.6850680105	-0.9989681135	-1.196522481	 0.148312
+C	 1.6234156919	-0.4230459287	-2.665494047	-0.293849
+C	 2.1900882083	-1.8196733711	-3.0440883457	-0.023814
+O	 3.4793409042	-1.8282974399	-2.41590004	-0.279869
+C	 3.1992299316	-1.2699062166	-1.1031162142	-0.11339
+C	 1.2691949934	-2.3170021837	-1.9076202569	 0.415278
+O	 0.4600376519	-3.1727272579	-1.7157473609	-0.321985
+H	 0.7369666618	 1.3382799713	 1.2248315183	 0.121248
+H	 2.3872596331	 1.0462964221	 0.6694658286	 0.12062
+H	 1.1777623861	 1.6848415	-0.4512183486	 0.121766
+H	 1.077111923	-1.1137978471	 0.8421234346	 0.112207
+H	-0.141848866	-0.474194518	-0.2376991876	 0.112732
+H	 0.6053008486	-0.2429492943	-3.0172158965	 0.120777
+H	 2.2835517406	 0.4174460182	-2.8894993176	 0.11876
+H	 2.243008351	-2.2252280186	-4.050559665	 0.101715
+H	 3.4522062486	-1.9976006742	-0.3225316172	 0.113613
+H	 3.8001250411	-0.3651790312	-0.9562935196	 0.108755
+19
+0 5036	2.5831737	1.5601633	1.279263	2.3576	74.88	-0.24304	-0.01137	0.23167000000000001	1077.1424	0.156742	-422.559198	-422.550717	-422.549773	-422.592289	31.867
+C	 1.3958977452	-0.3426961401	 1.0193738478	-0.396491
+C	 0.9557426632	 0.0363183595	-0.3991201604	-0.298723
+C	 1.7752437392	-0.6116996559	-1.4806187416	 0.303804
+C	 1.4373500655	-0.3871653878	-2.9710715621	-0.273351
+C	 2.4100376165	-1.4359892054	-3.6084102608	-0.236257
+C	 3.0378365138	-1.9696409731	-2.3087012403	-0.035686
+O	 1.8805967894	-2.0881443292	-1.4196603434	-0.330235
+C	 3.3250379958	-0.6821543471	-1.5086969444	 0.412307
+O	 4.2459507591	-0.1461168245	-0.9746646622	-0.323652
+H	 1.3392927171	-1.4245449879	 1.1639172276	 0.135431
+H	 2.4272024036	-0.0301393327	 1.2050269851	 0.141269
+H	 0.7542264833	 0.1381254864	 1.7629558617	 0.111588
+H	-0.098197437	-0.22710618	-0.5566304663	 0.111101
+H	 1.0245908813	 1.121899368	-0.5431483336	 0.115299
+H	 0.3871076196	-0.6167404303	-3.1671216412	 0.114525
+H	 1.6351898145	 0.6392712306	-3.2922678236	 0.113412
+H	 1.879351848	-2.2273967369	-4.1415046754	 0.11804
+H	 3.1486533085	-0.9937781289	-4.2824829798	 0.115589
+H	 3.6880480133	-2.8418168149	-2.3233990571	 0.102031
+19
+0 5037	2.5354378	1.5560711	1.2504508	3.947	75.24	-0.23038	-0.00374	0.22664	1081.796	0.157289	-422.549936	-422.54157	-422.540626	-422.582922	31.482
+C	 1.3481617372	-0.0785547118	-0.1597982484	-0.262381
+O	-0.0508340701	-0.0084584381	 0.0472735233	-0.294494
+C	-0.4496069747	 0.6697060945	 1.1762288842	 0.325209
+C	-0.262889374	 0.1295594085	 2.6518392915	-0.310325
+C	-1.4758672928	 1.0601868777	 2.9715794292	-0.147957
+C	-0.8820121705	 2.4604410908	 2.6890283895	-0.22541
+C	-0.112440782	 2.1740541839	 1.3528897124	-0.28572
+C	-1.945468958	 0.6626360562	 1.5599741709	 0.397082
+O	-2.9646477131	 0.321604884	 1.0409924121	-0.32181
+H	 1.8609298972	-0.5515258576	 0.6897644047	 0.112289
+H	 1.5025930276	-0.6911293027	-1.0503366887	 0.135908
+H	 1.7911568933	 0.911810516	-0.3308621949	 0.11501
+H	-0.4916464804	-0.933733868	 2.7393368669	 0.122548
+H	 0.6773241597	 0.3769930423	 3.150551789	 0.102944
+H	-2.1008221989	 0.9252237342	 3.8502599472	 0.088917
+H	-1.6558433927	 3.2230432846	 2.5720351493	 0.116798
+H	-0.2111648006	 2.7789175556	 3.491405173	 0.107748
+H	-0.4759574712	 2.7680121647	 0.5104473432	 0.118163
+H	 0.9626742838	 2.3442909352	 1.4520888155	 0.10548
+19
+0 5038	2.5282425	1.484069	1.1972531	1.9685	75.12	-0.23193	-0.00164	0.23029	1098.5217	0.157855	-422.566432	-422.558032	-422.557088	-422.599523	31.689
+O	 0.2493097504	-0.1805937495	-0.7727452281	-0.428366
+C	 0.5520557013	-0.5453833543	 0.5688594085	-0.192031
+C	-0.1753378927	 0.3958300468	 1.486711689	 0.221916
+C	 0.1951345082	 1.9134157482	 1.65130493	-0.274262
+C	-0.5550994471	 1.8001209214	 3.0217314046	-0.143192
+C	-2.0008538736	 1.5179662276	 2.5549092345	-0.228227
+C	-1.7195363294	 0.4747856595	 1.4149929166	-0.256337
+C	 0.0309119697	 0.3777163315	 3.015920286	 0.397936
+O	 0.5792491217	-0.3455178531	 3.7951869566	-0.334176
+H	 0.7080724877	-0.7892552386	-1.359280588	 0.289752
+H	 0.2332556488	-1.5774927245	 0.7861774356	 0.097767
+H	 1.6343281709	-0.4920156693	 0.7644221249	 0.094716
+H	 1.2686761664	 2.0836349223	 1.7538565944	 0.112707
+H	-0.2397723637	 2.5948447418	 0.9169643921	 0.112626
+H	-0.3955791398	 2.493726199	 3.8443939532	 0.08258
+H	-2.6249843762	 1.1120187842	 3.3551624666	 0.111337
+H	-2.4829536758	 2.4238725206	 2.1779275815	 0.107151
+H	-2.1878940723	-0.4951067777	 1.606252418	 0.105757
+H	-2.0461126843	 0.8197031641	 0.432135304	 0.122345
+19
+0 5039	2.777733	1.213159	1.0033305	3.1015	77.13	-0.24033	-0.00862	0.23171	1230.6868	0.155304	-422.553266	-422.543857	-422.542913	-422.587549	34.357
+C	-0.9380000354	 2.4280368204	-0.7863290315	-0.496686
+C	-1.0398119276	 1.1047166872	-0.082378693	 0.157845
+C	-2.0414323062	 0.8285077865	 1.0355149259	-0.379473
+C	-2.0700345578	-0.072893758	-0.1552877801	 0.275304
+C	-3.2517000381	-0.2199761704	-1.0676269057	-0.171279
+O	-4.1765122381	-1.1952313525	-0.6052960648	-0.408307
+C	-0.9514309022	-1.1158151271	 0.010706482	-0.414647
+C	 0.0464259993	 0.070656442	-0.0098384928	 0.377784
+O	 1.2357010358	 0.1353929298	-0.152696969	-0.31883
+H	-0.3441555634	 3.1336094545	-0.1955787623	 0.139752
+H	-0.4504699878	 2.3203711499	-1.760061367	 0.134808
+H	-1.9248437068	 2.8743324841	-0.9428968683	 0.121018
+H	-1.7095545095	 0.4598092813	 2.0028272624	 0.121425
+H	-2.8259564414	 1.5789628634	 1.0946837395	 0.119792
+H	-3.736725424	 0.7592181799	-1.2096342475	 0.088977
+H	-2.9302557924	-0.5707821103	-2.0543114431	 0.11675
+H	-4.4580597492	-0.9318496005	 0.2773346295	 0.283546
+H	-0.9879550665	-1.7429198253	 0.9059580484	 0.119339
+H	-0.7978518589	-1.7529193249	-0.8656427025	 0.132882
+19
+0 5040	2.8804074	1.2461062	1.001622	3.1764	77.1	-0.23671	-0.02097	0.21574000000000002	1244.931	0.153883	-422.548769	-422.53918	-422.538236	-422.583385	34.589
+C	 1.7594899257	-0.0527972907	 1.3293748787	-0.380275
+C	 1.4417781483	 0.5908438081	-0.0282901392	-0.299264
+C	 1.6062117186	-0.3659560984	-1.1678069349	 0.355344
+C	 0.7329368846	-1.5806897177	-1.5404222081	-0.4265
+C	 1.1477372828	-1.2928323549	-3.0148122116	 0.399379
+O	 0.7653738276	-1.6917595565	-4.0747236718	-0.302546
+C	 2.0439227512	-0.1343825958	-2.5805900567	 0.202125
+C	 2.5104281393	 1.0556138433	-3.3481749903	-0.515498
+O	 2.9256998793	-0.7249666697	-1.5896250481	-0.316436
+H	 1.0944909925	-0.8981548686	 1.5333661122	 0.123508
+H	 2.7891898586	-0.4210375775	 1.3499907087	 0.137239
+H	 1.6388428343	 0.6724503235	 2.138924269	 0.119044
+H	 0.4117496476	 0.9680339471	-0.03289351	 0.108939
+H	 2.1001302915	 1.4504004435	-0.1953102504	 0.112752
+H	 1.0439220433	-2.5339011617	-1.1085828629	 0.132951
+H	-0.3453356052	-1.4424210088	-1.4118814983	 0.127854
+H	 2.938023802	 1.8058509336	-2.6777521213	 0.135753
+H	 3.2788648992	 0.7664486358	-4.0723048312	 0.147418
+H	 1.6793303688	 1.5037084452	-3.9009826238	 0.138213
+19
+0 5041	2.6641861	1.3050242	1.0497256	4.3891	76.39	-0.26417	0.00815	0.27232	1221.3887	0.155164	-422.568501	-422.559164	-422.55822	-422.602707	33.9
+C	 1.9663208731	 1.68166879	 0.0006771528	-0.377957
+C	 1.3194923926	 0.2938766333	 0.112903217	-0.291243
+C	 1.9011465727	-0.6897726259	-0.8489877921	 0.450984
+C	 3.1328579205	-1.5172939119	-0.749482092	-0.372733
+C	 1.7729069033	-2.1885756757	-1.0364332464	 0.012596
+C	 1.1804628191	-3.3025290039	-0.2259597392	-0.493783
+C	 1.4156244685	-1.8210895373	-2.4544233077	 0.43771
+O	 1.012281813	-2.363308035	-3.4321058033	-0.331725
+O	 1.6428092954	-0.4625767865	-2.2760830925	-0.307119
+H	 1.5061431791	 2.3802320026	 0.705040679	 0.117794
+H	 3.0380876363	 1.6353141353	 0.2172744741	 0.122002
+H	 1.843277277	 2.0838298831	-1.0087228619	 0.14285
+H	 1.4474636685	-0.1032702473	 1.1268172554	 0.109737
+H	 0.2407114427	 0.3676989984	-0.0676351808	 0.118858
+H	 3.8952512316	-1.4543455253	-1.5195568436	 0.132923
+H	 3.5034598004	-1.7124564377	 0.2535980737	 0.124821
+H	 1.4235928209	-3.1873472263	 0.8347700069	 0.124045
+H	 0.0911051148	-3.3306595797	-0.325091955	 0.137358
+H	 1.5709782506	-4.2716546803	-0.5532151645	 0.142883
+19
+0 5042	2.802391	1.2261376	1.0286254	2.877	78.37	-0.23512	-0.00505	0.23007	1230.8459	0.155341	-422.553806	-422.544555	-422.543611	-422.588006	34.164
+C	 1.2705392533	 0.5636875121	 1.3057904235	-0.375305
+C	 0.7881864953	 0.6154242363	-0.1520183136	-0.287621
+C	 1.6954665135	-0.1129280018	-1.1007547717	 0.258237
+C	 1.6450431501	-1.5862998222	-1.3589330327	-0.374616
+C	 1.3247592694	-0.7267384372	-2.5460500692	 0.28218
+O	 0.1441509016	-0.8908081349	-3.2149514815	-0.446638
+C	 2.4770719416	 0.0433967264	-3.0622463107	 0.324182
+O	 2.6499604519	 0.5243604801	-4.1551431947	-0.347004
+C	 3.0191002792	 0.4275135188	-1.6609161112	-0.406511
+H	 1.3314406377	-0.4690030312	 1.6637875224	 0.121446
+H	 2.2638674967	 1.012133333	 1.4101172175	 0.122282
+H	 0.585492916	 1.1095734302	 1.9615991755	 0.118075
+H	-0.2175528825	 0.1836082292	-0.2239416217	 0.11174
+H	 0.6999166701	 1.662621002	-0.4690566905	 0.104913
+H	 2.5456958432	-2.1966123011	-1.3316989776	 0.117653
+H	 0.7579509486	-2.0902498592	-0.9829446442	 0.13297
+H	 0.1076071105	-0.2023630932	-3.8926908223	 0.302437
+H	 3.9317170435	-0.0706878854	-1.3206622946	 0.115037
+H	 3.1437101103	 1.5112196281	-1.5845161129	 0.126541
+19
+0 5043	2.8351328	1.2858531	1.0526834	3.5493	77.68	-0.23826	-0.00719	0.23107	1203.2236	0.15444	-422.536451	-422.526953	-422.526009	-422.570889	34.239
+C	 1.5662217488	 0.0598212063	 0.0229400196	-0.259278
+O	 0.1621781032	-0.1226254452	 0.1394889481	-0.283439
+C	-0.4003317667	 0.5796716263	 1.1751176157	 0.412898
+C	-0.7283989437	 2.0307565501	 1.0971878068	-0.386678
+C	-1.8833835936	 1.0218131389	 1.2365474371	 0.117599
+C	-3.0062718108	 0.9388338953	 0.2437948038	-0.497242
+C	-1.9099879474	 0.5409144174	 2.6585022081	 0.386975
+O	-2.7950469785	 0.3667142631	 3.4485004077	-0.316196
+C	-0.4138716975	 0.1177280011	 2.643334235	-0.435757
+H	 2.094716802	-0.2983677475	 0.916982354	 0.118551
+H	 1.8898032497	-0.5248163039	-0.8403836622	 0.134076
+H	 1.8197539902	 1.1165553913	-0.1369653488	 0.115818
+H	-0.48142446	 2.7206013991	 1.8998423048	 0.118346
+H	-0.6829394732	 2.4604541577	 0.1006891499	 0.126386
+H	-3.5426870002	-0.0099355015	 0.3394923469	 0.1348
+H	-3.7282496371	 1.7478999947	 0.395097628	 0.134403
+H	-2.6230648536	 1.0122747174	-0.7784771801	 0.129168
+H	 0.2692708329	 0.6046843453	 3.3454417731	 0.114631
+H	-0.3397225645	-0.9690124758	 2.7485594124	 0.134941
+19
+0 5044	2.3750717	1.4966442	1.1261664	2.0041	74.92	-0.2286	0.06043	0.28903	1139.8357	0.155044	-422.479283	-422.470422	-422.469478	-422.512704	33.519
+C	-3.1256506594	-0.9930411587	 0.677572032	-0.49514
+C	-2.1124519569	-0.6847034668	 1.7417642298	 0.2334
+C	-1.1555636643	-1.6774168949	 2.3476003331	-0.388035
+C	-0.6029182334	-0.4527787621	 1.6455984538	 0.231665
+C	 0.3193774848	-0.4914815816	 0.4673901458	-0.168293
+O	 1.6890946742	-0.5572128226	 0.848649756	-0.414411
+C	-0.7694706303	 0.8106392136	 2.5523182204	-0.032465
+O	-1.3703464	 0.4450547419	 3.8029324358	-0.239822
+C	-2.2071200541	 0.5932142769	 2.648172345	-0.033704
+H	-2.7667993154	-1.7744898634	 0.0008851737	 0.12342
+H	-4.0650786655	-1.345887826	 1.120561492	 0.125872
+H	-3.3573264802	-0.1089882228	 0.0719272491	 0.120143
+H	-1.0702619471	-1.781099144	 3.422063221	 0.136061
+H	-1.0553445819	-2.6006788922	 1.7825405069	 0.107099
+H	 0.043206452	-1.3298555129	-0.19225006	 0.086344
+H	 0.2319705865	 0.4264693016	-0.1260516752	 0.107761
+H	 1.7785162605	-1.2981666948	 1.4576504661	 0.282852
+H	-0.1692883282	 1.7119194927	 2.5219084613	 0.111943
+H	-3.0433551813	 1.2797865863	 2.7138536034	 0.105313
+19
+0 5045	2.4236155	1.5425722	1.13608	2.0186	75.02	-0.22857	0.05805	0.28662	1133.487	0.15507	-422.487372	-422.478532	-422.477587	-422.520808	33.604
+C	-3.122305121	-1.1482025611	 0.7687433081	-0.505968
+C	-2.0665816105	-0.6356790987	 1.6913786981	 0.331227
+O	-1.0717246926	-1.5527116551	 2.1871441965	-0.33333
+C	-0.6425159976	-0.3220428973	 1.5521093091	 0.314872
+C	 0.3485121628	-0.4466728423	 0.4416170234	-0.182254
+O	 1.6468185823	-0.7582202062	 0.9241033227	-0.413695
+C	-0.7563114057	 0.8362817057	 2.5934860441	-0.121572
+C	-1.3077009992	 0.3601440566	 3.9095798593	-0.290751
+C	-2.240035713	 0.5178397361	 2.7385153523	-0.129516
+H	-2.6933140251	-1.8194373496	 0.0206874872	 0.133827
+H	-3.884758255	-1.7012648112	 1.3293815513	 0.134648
+H	-3.6203250036	-0.3191575389	 0.2553459208	 0.128282
+H	-0.0092793218	-1.19759236	-0.2783958957	 0.095447
+H	 0.4425913442	 0.5086463559	-0.0859171412	 0.113737
+H	 1.5647823126	-1.5655635683	 1.4440600494	 0.29369
+H	-0.2884467945	 1.8018554543	 2.4561014087	 0.096023
+H	-1.0607411786	-0.6257018923	 4.281813401	 0.132991
+H	-1.3995354277	 1.1330431193	 4.6662806028	 0.110902
+H	-3.0758201759	 1.205218063	 2.7289588022	 0.091441
+19
+0 5046	2.4062075	1.4864232	1.1236313	2.6857	74.7	-0.21846	0.05805	0.27651	1150.5152	0.15477	-422.476111	-422.467313	-422.466369	-422.509464	33.636
+C	 2.1913669161	 1.7301915398	-0.5106068513	-0.369619
+C	 1.6400939558	 0.3228303417	-0.2400480757	-0.301027
+C	 2.1913674107	-0.7206882296	-1.1705250851	 0.223469
+C	 1.6864480286	-0.9675063545	-2.5856830408	-0.360609
+C	 1.6584817126	-2.0887486725	-1.600219705	 0.290773
+O	 0.4849136813	-2.7529541978	-1.3038446408	-0.448058
+C	 3.0911955961	-2.6942383736	-1.3845373367	-0.067918
+O	 4.034523697	-2.0016655986	-2.2155287006	-0.235115
+C	 3.600980806	-1.3875054824	-0.9897780575	-0.029232
+H	 1.7800878814	 2.457990998	 0.1959184853	 0.110993
+H	 3.2823629333	 1.752960179	-0.4170706984	 0.117586
+H	 1.9402655185	 2.0584240432	-1.523970325	 0.123592
+H	 1.8581689136	 0.0414603802	 0.800022959	 0.091398
+H	 0.5466420759	 0.3311952916	-0.3281066709	 0.106203
+H	 0.7037524231	-0.5415659777	-2.7668874207	 0.116563
+H	 2.3583703309	-0.9763728063	-3.4349578995	 0.133037
+H	 0.4829671815	-2.9738399692	-0.3654602581	 0.287434
+H	 3.3347263246	-3.7010576792	-1.0625479151	 0.106168
+H	 4.3640349132	-1.1014513221	-0.274644693	 0.104363
+19
+0 5047	2.4357277	1.5459822	1.1345751	3.2871	75.22	-0.23889	0.05035	0.28924	1149.5419	0.153706	-422.473484	-422.46448	-422.463536	-422.507094	33.667
+C	 1.1481530768	 1.2614976692	 0.1770586315	-0.376637
+C	 0.6532177863	-0.1889526393	 0.0782065712	-0.316469
+C	 1.2763901235	-0.9242767218	-1.0646613926	 0.335521
+O	 2.658520437	-1.2999163348	-0.9991114503	-0.30114
+C	 1.6927613971	-2.3130140988	-1.2988648199	 0.300625
+C	 1.650635168	-3.5666141083	-0.4913387397	-0.513212
+C	 1.3220227288	-2.1609306339	-2.8365202513	-0.061656
+O	 2.066741884	-1.0752146622	-3.3835850131	-0.212512
+C	 0.9095161855	-0.7786094882	-2.6049047157	-0.063814
+H	 0.6756905639	 1.7781485521	 1.0173838187	 0.114311
+H	 2.2317837002	 1.2877060946	 0.321506903	 0.139821
+H	 0.9186612596	 1.8219159027	-0.735121748	 0.121447
+H	 0.8774308941	-0.7254006518	 1.0069319483	 0.111364
+H	-0.4376002583	-0.2065338051	-0.0440525661	 0.103483
+H	 1.7194427785	-3.3413197886	 0.5761926286	 0.136046
+H	 0.7199449348	-4.1143345279	-0.6741080791	 0.126068
+H	 2.4857176451	-4.2252829478	-0.7559157187	 0.137514
+H	 0.9421836692	-2.9215325587	-3.5083264306	 0.109705
+H	 0.122479786	-0.1815574012	-3.0499345663	 0.109535
+19
+0 5048	2.3963478	1.5956043	1.1845585	1.1072	75.43	-0.22548	0.0663	0.29178000000000004	1114.795	0.154255	-422.46154	-422.452612	-422.451668	-422.494943	33.414
+C	 1.6172591936	 0.1507218091	 0.0553262362	-0.256823
+O	 0.2217466094	-0.1121095259	 0.1030602719	-0.281343
+C	-0.4260416232	 0.5611698824	 1.110349844	 0.364962
+C	-0.7845816691	 2.0259817831	 1.0664298287	-0.39734
+C	-1.8807779366	 0.9764057625	 1.1527843962	 0.198914
+C	-2.9771471211	 0.7967693635	 0.1452781149	-0.494737
+C	-1.9551559464	 0.4001085295	 2.6115130059	-0.026978
+O	-0.9751069605	 1.029146122	 3.4545424717	-0.237377
+C	-0.5601423631	-0.0175501035	 2.5667160081	-0.059795
+H	 2.1174937685	-0.1477649748	 0.9870599691	 0.113563
+H	 2.0230788429	-0.4370177062	-0.7708623996	 0.127811
+H	 1.8161707993	 1.2161156066	-0.1214752359	 0.11676
+H	-0.5733751093	 2.6931347613	 1.8929223874	 0.131397
+H	-0.6892713711	 2.4587613055	 0.0744569067	 0.112748
+H	-3.3729300508	-0.2252524325	 0.1635166236	 0.12078
+H	-3.8118611734	 1.4819127309	 0.3354950723	 0.122159
+H	-2.6078064251	 0.9887372816	-0.8664218965	 0.129945
+H	-2.8234438851	-0.0379790554	 3.0901565225	 0.105678
+H	-0.0486837089	-0.8784461898	 2.9812437228	 0.109675
+19
+0 5049	2.3937222	1.5757538	1.170969	1.6022	75.43	-0.20485	0.07486	0.27971	1108.89	0.154852	-422.463372	-422.454553	-422.453609	-422.496613	33.69
+C	 1.5673391572	 0.0744332823	 0.0687280462	-0.255502
+O	 0.2198340303	-0.3733786764	 0.0936011273	-0.277647
+C	-0.3217591585	-0.409637166	 1.3556061178	 0.344465
+C	-0.7936328525	 0.8359832715	 2.0871175366	-0.408304
+C	-1.7648091047	-0.2757178837	 1.7993715601	 0.312168
+O	-2.938866109	-0.0022162261	 1.1291647011	-0.447766
+C	-1.593018079	-1.5167943157	 2.7322021422	-0.128785
+C	-0.4748133244	-1.4080392777	 3.7378034355	-0.300219
+C	-0.1475545031	-1.6528035948	 2.2879528564	-0.121256
+H	 2.2226406123	-0.5824710805	 0.6574011302	 0.113569
+H	 1.8896654242	 0.0571541007	-0.9747328607	 0.126673
+H	 1.6537227767	 1.0971382441	 0.4601183637	 0.114367
+H	-0.4809277087	 1.1397086042	 3.0812304803	 0.10675
+H	-0.9410148107	 1.6606471072	 1.3946163907	 0.124143
+H	-3.1334899612	-0.7452620106	 0.5463095419	 0.289183
+H	-2.3453429882	-2.2948207343	 2.783536628	 0.087635
+H	-0.2325437122	-0.4772479309	 4.2375929288	 0.115896
+H	-0.3631946265	-2.278383926	 4.3795884145	 0.112331
+H	 0.3489755381	-2.5492253474	 1.9381574792	 0.092299
+19
+0 5050	2.877108	1.4655665	1.2216872	2.2888	74.26	-0.19748	0.05205	0.24952999999999997	1075.8575	0.156027	-422.479299	-422.470764	-422.46982	-422.511948	33.551
+O	 0.5474651736	-0.5577011813	 0.3533461569	-0.416149
+C	 0.3895069631	 0.7511318271	-0.2118420209	-0.198528
+C	-0.5819113408	 0.7447113115	-1.358125353	 0.230942
+C	-0.621039634	-0.3334509955	-2.4335174428	-0.436936
+C	-1.7835631547	-0.1568882765	-1.4858072133	 0.397594
+O	-2.2355358543	-1.1367254051	-0.6206689858	-0.473337
+C	-2.7011380158	 1.0560615979	-1.7940652739	-0.097382
+C	-2.2563952897	 1.8706703479	-2.9749836863	-0.304651
+C	-1.4897926233	 1.9737284132	-1.6832845578	-0.120117
+H	 1.1590302312	-1.0488891439	-0.2034766877	 0.293178
+H	-0.0077617082	 1.3733662716	 0.5990024913	 0.118195
+H	 1.368289074	 1.1703129064	-0.4900814565	 0.101826
+H	-0.6369841126	-0.1137506168	-3.4960212537	 0.109566
+H	-0.0331541179	-1.2145577546	-2.1889796947	 0.092155
+H	-1.5119141585	-1.3081566727	-0.002257802	 0.292213
+H	-3.6736028392	 1.1587138043	-1.3315667474	 0.096788
+H	-1.8425029782	 1.4242232248	-3.8718452825	 0.113459
+H	-2.8862092673	 2.7321446885	-3.1790929925	 0.113892
+H	-1.4032742474	 2.9075608529	-1.1414534374	 0.087292
+19
+0 5051	2.5431128	1.5364169	1.1179091	1.9071	75.79	-0.2432	0.00246	0.24566	1128.5653	0.155829	-422.556487	-422.547627	-422.546683	-422.58994	33.502
+C	-2.6392497042	-2.3107319177	 0.6944848827	-0.496421
+C	-1.9310542321	-1.5558525469	 1.7844165608	 0.315648
+O	-0.6053429091	-2.0347075354	 2.1481467001	-0.346767
+C	-0.7384914581	-0.6847500208	 1.6560141894	 0.303862
+C	 0.0457978704	-0.4103310038	 0.400969795	-0.1526
+O	 1.4409608988	-0.4017247135	 0.6678319193	-0.418612
+C	-0.7861035455	 0.3521724172	 2.7787749943	-0.324521
+C	-2.040230495	-0.0181032148	 3.5391595659	-0.085654
+C	-2.6797887653	-1.0475257068	 2.9819083973	-0.122355
+H	-3.0634023788	-3.2391014376	 1.0928246626	 0.130858
+H	-3.4623961199	-1.7161820878	 0.2845393439	 0.127542
+H	-1.9575631396	-2.575219652	-0.1159891449	 0.132219
+H	-0.2071965234	-1.1498811834	-0.3714249864	 0.090114
+H	-0.1962163336	 0.5834648243	 0.0095371321	 0.10816
+H	 1.6472841612	-1.2581066662	 1.06023753	 0.293487
+H	 0.1123149102	 0.3064635055	 3.4044219157	 0.129794
+H	-0.837007207	 1.3717599334	 2.3745874977	 0.112256
+H	-2.341672311	 0.4924030205	 4.4468616451	 0.102501
+H	-3.5989092079	-1.4997680042	 3.3350857595	 0.100489
+19
+0 5052	2.2883918	1.7220976	1.3544392	1.1101	76.01	-0.21804	0.01667	0.23471	1039.2073	0.155565	-422.536373	-422.527513	-422.526569	-422.569347	33.737
+C	 1.4069890625	-0.1231225533	 0.0966886679	-0.263533
+O	 0.0141467252	 0.1371173686	-0.023524893	-0.29271
+C	-0.5425518348	 0.8059864742	 1.0549901922	 0.401606
+C	-1.8880233022	 0.2982299911	 1.5013380125	-0.402443
+C	-0.6966681574	 0.1616297942	 2.4353377853	 0.279546
+O	-0.1663999247	-1.0965891218	 2.7186297289	-0.464867
+C	-0.5030595084	 1.280281716	 3.4066073744	-0.132027
+C	-0.2709870692	 2.439221666	 2.7853306122	-0.078144
+C	-0.2361525407	 2.2894660174	 1.2791273695	-0.349164
+H	 1.619128548	-0.7377766385	 0.9777034069	 0.139184
+H	 1.6988775602	-0.6643535575	-0.8064017469	 0.122951
+H	 1.9967201102	 0.8025187946	 0.1519368734	 0.104699
+H	-2.6859992916	 0.9910272672	 1.7499182113	 0.108979
+H	-2.1904121615	-0.6137189216	 0.9952080841	 0.119254
+H	-0.8773517093	-1.6639565497	 3.0327427118	 0.286902
+H	-0.5634909159	 1.1305202231	 4.4787823639	 0.094536
+H	-0.1414885931	 3.3977762316	 3.2740483558	 0.096813
+H	-0.9764730132	 2.9281570549	 0.7818933833	 0.11608
+H	 0.7410549459	 2.5704538634	 0.8656293463	 0.112339
+19
+0 5053	2.2788328	1.6954182	1.3885843	2.2678	75.85	-0.22411	0.02222	0.24633	1027.5484	0.156899	-422.556602	-422.548061	-422.547117	-422.589295	33.315
+O	 1.0966161214	 1.0370484461	-0.5361783722	-0.429508
+C	-0.0036088441	 0.2608307781	-0.041542945	-0.197733
+C	-0.9910668669	 0.1324824206	-1.1658714909	 0.273801
+C	-2.4606471786	 0.4148653798	-0.9066991564	-0.381408
+C	-1.641948209	 1.4113492615	-1.6838677303	 0.382012
+O	-1.3874578085	 2.6499101358	-1.0994749982	-0.480614
+C	-1.6731975952	 1.2663428931	-3.1713108082	-0.157638
+C	-1.1469447492	 0.1031160984	-3.5593386977	-0.070757
+C	-0.6290755597	-0.7110308269	-2.3897042553	-0.342995
+H	 1.7719671615	 1.0746343641	 0.1484210854	 0.289413
+H	 0.3430287812	-0.7286006537	 0.2940086515	 0.092468
+H	-0.4715532094	 0.7629326844	 0.8157995808	 0.098231
+H	-3.2108800571	-0.1663305969	-1.4327579846	 0.109894
+H	-2.7223069405	 0.6982292204	 0.1078721608	 0.114644
+H	-0.4275144543	 2.7619276795	-1.1129928542	 0.288
+H	-2.1002263618	 2.028043859	-3.8133012449	 0.097324
+H	-1.1062209753	-0.2591551832	-4.5804723311	 0.093526
+H	-1.082080977	-1.7106788796	-2.3553585129	 0.105403
+H	 0.4569706724	-0.8578121904	-2.4564969565	 0.115938
+19
+0 5054	2.3411944	1.4814846	1.0900264	3.6806	77.01	-0.24489	-0.01396	0.23093	1165.6212	0.15573	-422.553035	-422.543839	-422.542895	-422.587185	33.903
+C	-3.3621636318	 0.2556763195	-0.8688943522	-0.492061
+C	-2.118206813	 0.0722802302	-0.0491343255	 0.274446
+C	-2.0317652582	-0.7563273467	 1.1854515911	-0.366011
+C	-1.1538624594	-1.1652644984	 0.0077959298	 0.172738
+C	-1.103559309	-2.5356594546	-0.6162408647	-0.183052
+O	-0.0729412643	-3.3123257221	-0.027042466	-0.416163
+C	-0.0126642639	-0.2155131894	-0.0935542641	 0.38516
+O	 1.1515707272	-0.3969128666	-0.3466954248	-0.344631
+C	-0.9148444025	 1.0405389313	-0.0621123045	-0.412111
+H	-3.9847104151	-0.6442869595	-0.8551261368	 0.126239
+H	-3.9667886104	 1.0812179402	-0.4752097409	 0.131737
+H	-3.1239721518	 0.4887870241	-1.9122787912	 0.126536
+H	-1.5899130369	-0.3622314977	 2.097349513	 0.120106
+H	-2.8545891108	-1.4451697767	 1.3569909471	 0.124791
+H	-2.040647639	-3.0798447348	-0.4593768625	 0.107657
+H	-0.9539295736	-2.442250229	-1.7037295834	 0.095229
+H	 0.7441423409	-2.8096524878	-0.1399231084	 0.297849
+H	-0.8201264836	 1.7230463626	 0.7880516032	 0.120867
+H	-0.8039133547	 1.6077158755	-0.9917171594	 0.130672
+19
+0 5055	2.2470005	1.5205885	1.0948318	4.3316	75.99	-0.26413	0.00777	0.2719	1182.121	0.155209	-422.568542	-422.559255	-422.558311	-422.602756	33.839
+C	 0.8310217152	-0.4693237203	 1.1184186806	-0.377022
+C	 0.6966709419	 0.1791881009	-0.2668124238	-0.299106
+C	 1.5714477815	-0.4841439381	-1.2934237065	 0.064497
+C	 3.0635740533	-0.1602002209	-1.5256893706	-0.37143
+C	 2.1047013459	-0.1004640363	-2.6596203261	 0.399628
+C	 1.8072761284	 1.0066055163	-3.6116212643	-0.488273
+O	 1.9153825846	-1.4711306501	-3.1480932496	-0.303585
+C	 1.330352016	-1.8241470761	-1.9395346232	 0.440771
+O	 0.796772634	-2.8516336118	-1.6672461763	-0.336936
+H	 0.5718731498	-1.5307999136	 1.070753898	 0.147225
+H	 1.8568550194	-0.3891811759	 1.4921019601	 0.118674
+H	 0.1669895954	 0.01373145	 1.8411045306	 0.114434
+H	-0.3483154456	 0.1278098252	-0.5954606579	 0.115304
+H	 0.9530060057	 1.2443164265	-0.2109281535	 0.10114
+H	 3.3663193105	 0.7928691988	-1.0992383516	 0.125158
+H	 3.8164675146	-0.9414262641	-1.492379627	 0.132799
+H	 1.8695796015	 1.9712763017	-3.1000828435	 0.132142
+H	 2.5294480963	 1.0124554531	-4.4348190739	 0.143624
+H	 0.8047674815	 0.8969914748	-4.0351711416	 0.140957
+19
+0 5056	2.2075902	1.507445	1.0649701	3.8348	77.31	-0.23363	-0.00584	0.22779	1186.6053	0.154638	-422.551014	-422.541407	-422.540463	-422.585869	34.693
+C	 2.1525238526	 0.4272833026	 1.1934108853	-0.37735
+C	 1.7441718698	 0.6417993285	-0.2712451738	-0.295624
+C	 2.0465608303	-0.5472831443	-1.1408480219	 0.146457
+C	 1.1424669371	-1.7961597348	-1.1803037143	-0.399347
+C	 1.4246751557	-1.1348227142	-2.4713716833	 0.366585
+O	 0.4908848605	-0.5998569277	-3.3280431291	-0.450854
+C	 2.8049977671	-1.5304650674	-2.9920492397	-0.407666
+C	 3.3856955146	-0.9157330131	-1.6895795541	 0.383689
+O	 4.5070514989	-0.6468695125	-1.3515713035	-0.326892
+H	 1.6118268173	-0.4161806436	 1.6355690294	 0.112571
+H	 3.2231025918	 0.2148156891	 1.261337752	 0.144928
+H	 1.9406740303	 1.3173285207	 1.7937326544	 0.11206
+H	 0.6727979227	 0.8731338928	-0.335388862	 0.091747
+H	 2.2729397587	 1.5151139992	-0.6711449209	 0.115202
+H	 1.5212003716	-2.7883841164	-0.9434995356	 0.122108
+H	 0.1609242195	-1.5921864072	-0.7550809576	 0.114667
+H	-0.3889466389	-0.7360823285	-2.963767572	 0.293157
+H	 2.9860060057	-2.5892569012	-3.2023906167	 0.115393
+H	 3.1139268946	-0.9289862023	-3.8520977566	 0.139169
+19
+0 5057	2.1390166	1.6028951	1.0721272	3.0256	76.86	-0.23627	-0.02151	0.21476	1188.5722	0.153973	-422.548629	-422.539094	-422.53815	-422.583204	34.528
+C	 2.8888413733	 1.6325288003	-0.4321049888	-0.383881
+C	 1.8825268295	 0.5462295974	-0.0230760579	-0.318465
+C	 1.7068497486	-0.4847890693	-1.0900610813	 0.231067
+O	 2.7834488846	-1.4316767581	-1.3391168533	-0.317336
+C	 1.4778780976	-1.963407716	-1.1035643014	 0.331308
+C	 1.2733350216	-2.9262256258	 0.0194314585	-0.500706
+C	 0.7868249489	-1.9363691682	-2.4805772837	-0.421752
+C	 0.9885833549	-0.3920431841	-2.4353312077	 0.400273
+O	 0.5808476053	 0.5173482227	-3.0963788333	-0.306691
+H	 2.9964087546	 2.3787952595	 0.3599692296	 0.115003
+H	 3.8716851258	 1.1937863713	-0.6263421127	 0.134198
+H	 2.5573732934	 2.1425446363	-1.341076845	 0.142799
+H	 2.2099716756	 0.0507043972	 0.8980100251	 0.11104
+H	 0.9058987407	 1.0004786188	 0.183507678	 0.114907
+H	 1.6587617872	-3.9161943928	-0.2480786235	 0.13911
+H	 1.7984121991	-2.5891312539	 0.9168956523	 0.137603
+H	 0.2084960561	-3.0308292552	 0.2496880044	 0.13122
+H	 1.2971716994	-2.4886689881	-3.2723362898	 0.132167
+H	-0.2793342863	-2.1846242019	-2.4757284796	 0.128136
+19
+0 5058	2.127869	1.6504727	1.1256856	2.9705	77.75	-0.22979	-0.00825	0.22154	1153.4835	0.154597	-422.536224	-422.52682	-422.525876	-422.570452	34.145
+C	 1.6589800632	 0.1269582357	 0.0128445398	-0.263927
+O	 0.2640624863	-0.1477382174	 0.1091123033	-0.282768
+C	-0.3578999118	 0.521640466	 1.1272330362	 0.30002
+C	-0.760603842	 1.9940544289	 0.9951623356	-0.390808
+C	-1.8402384198	 0.9848687518	 1.2220192623	 0.247683
+C	-2.9556264954	 0.703417678	 0.2599835175	-0.490273
+C	-1.8645728346	 0.6600643033	 2.7282413866	-0.412025
+C	-0.4204444936	 0.1058878782	 2.5666459014	 0.362343
+O	 0.274470486	-0.5854451838	 3.2579339567	-0.330167
+H	 2.1834210817	-0.1788406923	 0.925238716	 0.141526
+H	 2.0343962164	-0.4512421193	-0.8336283433	 0.131049
+H	 1.841196116	 1.1953464423	-0.1671072048	 0.111733
+H	-0.5051552804	 2.7285309418	 1.754704167	 0.116232
+H	-0.6574697374	 2.3444556688	-0.0281018523	 0.126012
+H	-3.3673332689	-0.2994190698	 0.4152881707	 0.127359
+H	-3.7725517825	 1.4235880833	 0.3827034754	 0.127089
+H	-2.6025961631	 0.7672838906	-0.7736560865	 0.132254
+H	-2.0114635055	 1.5011310297	 3.4123199076	 0.116508
+H	-2.5460790945	-0.1524608157	 2.9990246308	 0.130159
+19
+0 5059	2.5448218	1.5317917	1.1161993	2.1984	75.98	-0.245	0.00276	0.24776	1132.5608	0.155776	-422.556572	-422.547699	-422.546755	-422.590001	33.533
+C	-2.6529568211	-1.9413636346	 0.2618043631	-0.486363
+C	-1.9269848822	-1.5195028631	 1.5107827462	 0.33152
+C	-2.7289391748	-1.1727732061	 2.7708246675	-0.332863
+C	-1.8085784041	-0.2485103296	 3.5386752747	-0.083883
+C	-0.6729552806	-0.0120064489	 2.8800397455	-0.123355
+C	-0.6507939027	-0.77095215	 1.5904365726	 0.294376
+C	 0.2417597126	-0.3587468247	 0.4531466105	-0.164255
+O	 1.6085201444	-0.5460078964	 0.7899408901	-0.419491
+O	-0.7070061446	-2.2164387956	 1.810012209	-0.348184
+H	-3.2190832711	-2.8613523876	 0.4461153146	 0.129519
+H	-3.3626285624	-1.1704115703	-0.0558294999	 0.123699
+H	-1.9558007316	-2.1365800846	-0.555424988	 0.130939
+H	-3.6792564921	-0.6860986986	 2.5148408912	 0.110493
+H	-2.9788590825	-2.0769716982	 3.3394463052	 0.124559
+H	-2.0590894822	 0.133628892	 4.5218024657	 0.101938
+H	 0.1520365555	 0.606821762	 3.2089332896	 0.112193
+H	-0.0262579444	-0.9121635293	-0.4574149764	 0.092262
+H	 0.1223036536	 0.7102792955	 0.2470084919	 0.112694
+H	 1.7033728604	-1.4719683518	 1.0418277569	 0.294203
+19
+0 5060	2.5875905	1.5843635	1.196638	2.0254	76.58	-0.23062	0.01426	0.24488	1093.5585	0.155642	-422.537499	-422.528664	-422.52772	-422.570613	33.586
+C	 1.3664059832	 0.0335710696	-0.2095083871	-0.252973
+O	 0.0229200847	-0.1435451659	 0.207298183	-0.302718
+C	-0.3527825442	 0.6161909741	 1.3112844696	 0.316412
+C	-0.5457530219	 2.1225398777	 1.1585375062	-0.394283
+C	-1.744200281	 1.2047603794	 1.2950006324	 0.365869
+O	-2.5712814371	 1.0155583113	 0.1920812601	-0.483133
+C	-2.3492925573	 0.9942729895	 2.679473966	-0.329852
+C	-1.2204642869	 0.3468932949	 3.4584103079	-0.07871
+C	-0.1425392301	 0.1159431398	 2.7040369922	-0.143931
+H	 2.0749086132	-0.3003604168	 0.5606528656	 0.114583
+H	 1.5052628036	-0.5761493084	-1.1051529052	 0.128548
+H	 1.5786596214	 1.0840467091	-0.4483089547	 0.116077
+H	-0.2462384844	 2.7758396835	 1.9719432535	 0.109743
+H	-0.412537532	 2.5233805765	 0.1585221593	 0.114799
+H	-2.1175627795	 0.3880470684	-0.3865735461	 0.290365
+H	-2.6835989224	 1.9325678061	 3.1384051704	 0.114103
+H	-3.2285022653	 0.3414804023	 2.612374969	 0.119943
+H	-1.2978225357	 0.1328985768	 4.5184162423	 0.09823
+H	 0.7823729316	-0.339482108	 3.0389545358	 0.096928
+19
+0 5061	2.7151915	1.5592483	1.21248	2.3941	75.97	-0.22269	0.01558	0.23827	1068.2649	0.157021	-422.553629	-422.545233	-422.544288	-422.586032	33.174
+O	 0.3802608552	 1.2288871542	 0.7087679498	-0.414319
+C	 0.4185802162	 0.1712035277	-0.2555573479	-0.192012
+C	-0.6426650761	 0.3126837189	-1.3260910046	 0.204066
+C	-2.0289085254	 0.8831558829	-1.002311486	-0.397123
+C	-1.0761371684	 1.6611561642	-1.8794613852	 0.40855
+O	-0.544183995	 2.8751621603	-1.454097584	-0.489212
+C	-1.2238508404	 1.5219532066	-3.3914700666	-0.320453
+C	-0.9630862097	 0.0507159623	-3.6343572692	-0.080227
+C	-0.6252322273	-0.5948582351	-2.5146363047	-0.148558
+H	-0.3608640465	 1.0638199507	 1.3000208393	 0.294133
+H	 1.4129619648	 0.2300209735	-0.7114902447	 0.125846
+H	 0.3470995356	-0.8058227323	 0.2451961753	 0.102353
+H	-2.8994629659	 0.3892560764	-1.4232891375	 0.109531
+H	-2.1817124129	 1.3029903721	-0.0114924436	 0.089619
+H	-0.1449205943	 2.719248223	-0.5858033958	 0.288098
+H	-2.2115447092	 1.8377708984	-3.7485589235	 0.112398
+H	-0.4861056281	 2.1582786323	-3.8968567632	 0.119967
+H	-1.0652556088	-0.4057829861	-4.6124177562	 0.096044
+H	-0.3920787039	-1.6525930898	-2.4443254417	 0.091299
+19
+0 5062	2.3994433	1.38753	1.0490199	1.5451	78.4	-0.24403	-0.02924	0.21479	1203.8929	0.154948	-422.531141	-422.521961	-422.521016	-422.565484	33.214
+C	 2.170060715	 1.6062003509	-0.4356132694	-0.381259
+C	 1.6107817205	 0.1841260721	-0.2760927042	-0.281834
+C	 2.134288492	-0.7426689837	-1.326292786	 0.450613
+C	 1.6050016721	-0.9321480564	-2.6961914092	-0.376796
+C	 1.669617855	-2.1592686334	-1.7946712177	 0.089469
+C	 3.1287784656	-2.5340188102	-1.5778409071	-0.149553
+O	 3.4922067516	-1.1701690841	-1.2354637119	-0.315313
+C	 0.4777699054	-2.8744786221	-1.3408894383	 0.062679
+O	-0.6568551037	-2.4643111481	-1.4601931091	-0.285174
+H	 1.7915402842	 2.2591451163	 0.355762205	 0.118551
+H	 3.2625212054	 1.6028401385	-0.3800833612	 0.13713
+H	 1.8812597084	 2.0363913861	-1.3995006387	 0.123697
+H	 1.8751796551	-0.2122887928	 0.7106572467	 0.112093
+H	 0.5174164438	 0.1908605488	-0.34261327	 0.129346
+H	 0.5881618214	-0.5920310499	-2.8621326587	 0.148352
+H	 2.2762112318	-0.8783478222	-3.5488737522	 0.121127
+H	 3.2851429788	-3.197944045	-0.7192744786	 0.115595
+H	 3.6901822818	-2.9056051656	-2.4425648294	 0.112622
+H	 0.6864604756	-3.8417142391	-0.8289747001	 0.068654
+19
+0 5063	2.2976357	1.4171962	1.0461361	2.7934	77.81	-0.24364	-0.03442	0.20922	1206.4371	0.154953	-422.526937	-422.517787	-422.516843	-422.561168	33.189
+C	 1.8702378329	-0.2980737523	 1.5608782172	-0.375381
+C	 1.5794049777	 0.4205059838	 0.2349241601	-0.293624
+C	 1.7546363001	-0.4707739733	-0.9616094307	 0.230458
+C	 0.7120672412	-1.4327142014	-1.4523979245	-0.370647
+C	 1.1720837035	-0.3412305434	-2.3851665929	 0.297456
+O	 2.4092273852	-0.6852892859	-3.0044393987	-0.323828
+C	 3.0636393244	-0.7467071536	-1.7077092657	-0.135554
+C	 0.3259376541	 0.7232020508	-2.9352217522	 0.070971
+O	-0.7160744517	 1.0793767001	-2.4307887457	-0.278791
+H	 1.2025146493	-1.1544719382	 1.6973242776	 0.124538
+H	 2.9000993731	-0.6692046489	 1.5971360043	 0.117581
+H	 1.7303683882	 0.3793425038	 2.4083071421	 0.11979
+H	 0.552786897	 0.8042866141	 0.2348970404	 0.129833
+H	 2.2354938771	 1.2944676955	 0.1363462962	 0.103611
+H	 0.9676953732	-2.4540477448	-1.7210055606	 0.122712
+H	-0.2812779157	-1.2791988291	-1.0433938787	 0.14508
+H	 3.5519944881	-1.7128852451	-1.5370855914	 0.11229
+H	 3.7949577848	 0.0637473624	-1.6089772193	 0.114119
+H	 0.7393055777	 1.2030199156	-3.8486009774	 0.089388
+19
+0 5064	2.8933834	1.1746922	0.9811548	3.0317	78.39	-0.2551	-0.03762	0.21748	1269.7886	0.154651	-422.537895	-422.528665	-422.527721	-422.572187	33.451
+C	 2.0423104831	 1.7084584991	-0.368254096	-0.382152
+C	 1.5401775585	 0.3138518864	 0.0365109967	-0.292671
+C	 2.0432489532	-0.7517008094	-0.8896971162	 0.346405
+C	 3.4778682332	-1.3018096902	-1.0251856048	-0.281782
+C	 2.8785725979	-2.6792243058	-1.4706973011	-0.298533
+C	 1.4815489309	-2.076438148	-1.3289341736	 0.243561
+O	 1.4195207655	-0.9001772076	-2.1580844163	-0.309742
+C	 0.2141915881	-2.7153847079	-0.9410033341	 0.065212
+O	 0.1273346674	-3.8672299994	-0.5866079928	-0.262405
+H	 1.6657824981	 2.4690251296	 0.3212618245	 0.120962
+H	 3.1359254309	 1.7564170969	-0.3555927959	 0.123816
+H	 1.7047675922	 1.9640428055	-1.3768083589	 0.13713
+H	 1.8685003239	 0.0793798131	 1.0560842301	 0.111672
+H	 0.4456357962	 0.2970071131	 0.0374158737	 0.115426
+H	 4.0979375142	-0.7765584305	-1.7548747611	 0.116477
+H	 4.0053013103	-1.3598870461	-0.0704265236	 0.113391
+H	 3.1282129918	-3.0250146141	-2.475500879	 0.1179
+H	 3.0583072954	-3.4781584528	-0.7501479321	 0.131717
+H	-0.6662094308	-2.0387873819	-0.9881090295	 0.083617
+19
+0 5065	2.7918343	1.2255335	1.0357179	4.1704	78.88	-0.24066	-0.01729	0.22337	1225.298	0.15509	-422.52628	-422.517089	-422.516144	-422.560592	33.144
+C	 1.5618771939	-0.0281661684	-0.0211656965	-0.258751
+O	 0.1496094704	 0.1285604193	-0.0596807056	-0.278418
+C	-0.371906367	 0.710473923	 1.0705372146	 0.400502
+C	-0.5528143603	-0.0537204829	 2.3345697835	-0.394091
+C	-1.8006212988	 0.4794065847	 1.6337589424	 0.183326
+C	-1.9442352462	 1.9796222435	 1.8914113365	-0.291993
+C	-0.5257011196	 2.2230584548	 1.2756324068	-0.292474
+C	-2.8413522875	-0.4077996844	 1.1073157365	 0.062704
+O	-3.9906139065	-0.0753451963	 0.9274384276	-0.27276
+H	 1.871969974	-0.6542459095	 0.8263737963	 0.115436
+H	 1.8499102274	-0.5149662292	-0.954844664	 0.135397
+H	 2.074342425	 0.9407247382	 0.0499271859	 0.118242
+H	-0.4081620918	-1.1255234908	 2.2327523357	 0.128294
+H	-0.2877184856	 0.3562299582	 3.3065361049	 0.117884
+H	-2.7507771476	 2.4223651456	 1.3062602146	 0.132856
+H	-2.0671374109	 2.2627924033	 2.9406017766	 0.104057
+H	-0.5788448541	 2.7504208881	 0.3211827534	 0.120665
+H	 0.2220861125	 2.7052085655	 1.9127863352	 0.100785
+H	-2.4905470073	-1.4350320027	 0.8591250054	 0.068337
+19
+0 5066	2.1924246	1.4628657	1.0440661	2.593	77.75	-0.24844	-0.03002	0.21842	1187.288	0.155993	-422.541379	-422.532281	-422.531337	-422.575413	33.278
+O	-0.5365030546	-1.2909374393	-0.6027445953	-0.411937
+C	-0.201197662	 0.0894442987	-0.5103698118	-0.178217
+C	-0.3095452917	 0.5982787051	 0.8988841288	 0.289104
+C	 0.8041114026	 0.4756249739	 1.8808161374	-0.372648
+C	 0.3707670132	 1.8781858624	 1.5103657085	 0.20285
+C	-0.9402689479	 2.240489696	 2.2154584258	-0.305675
+C	-1.615582675	 0.9637807383	 1.6186303039	-0.275829
+C	 1.2731710705	 2.7860160956	 0.7910808173	 0.055824
+O	 2.2566859685	 2.4383656406	 0.1732696235	-0.280456
+H	 0.1073313376	-1.7792300789	-0.0788542487	 0.283857
+H	 0.8060619516	 0.2956725539	-0.8994774802	 0.117273
+H	-0.9188824634	 0.6047590667	-1.157722559	 0.110258
+H	 0.6147809392	 0.1307892577	 2.8949068993	 0.115285
+H	 1.7717409267	 0.2042990556	 1.470044006	 0.140591
+H	-0.8876674941	 2.3040855113	 3.3068253253	 0.104595
+H	-1.3846318972	 3.1635855157	 1.8344896094	 0.112183
+H	-1.9787124	 0.2218594006	 2.3357554115	 0.10777
+H	-2.4250061232	 1.2016238925	 0.9252638348	 0.114144
+H	 0.971946619	 3.8581030435	 0.8269540636	 0.071028
+19
+0 5067	2.7274927	1.2471861	1.0390585	3.0205	76.31	-0.23859	-0.01255	0.22604	1204.017	0.155657	-422.549621	-422.540373	-422.539428	-422.583705	33.95
+C	-1.0014396802	-1.9916400982	 1.2884892057	-0.423538
+C	-0.8545796751	-1.0384897583	 0.1096025382	-0.162296
+C	 0.2265600743	 0.0793985856	 0.1013593939	 0.418374
+O	 1.4245288566	 0.0542741398	 0.1262904961	-0.321479
+C	-0.7882356043	 1.160221452	-0.1415187102	-0.246453
+C	-1.8506026355	 1.0790512413	 0.9501016439	-0.341708
+C	-1.8962064885	 0.0737606834	-0.1527576815	 0.322182
+C	-3.0499136956	-0.0645058233	-1.1017178078	-0.178864
+O	-4.0254302731	-0.9841203427	-0.6271397215	-0.408382
+H	-0.0918486613	-2.5879999942	 1.4077740035	 0.13559
+H	-1.1737214552	-1.4590375509	 2.2287799816	 0.115258
+H	-1.8413672879	-2.6741531137	 1.1273536877	 0.131375
+H	-0.7009217754	-1.6146870172	-0.8129227891	 0.105746
+H	-0.6687047016	 2.0520027075	-0.7448062927	 0.112238
+H	-1.5726005172	 0.8029664385	 1.9625368318	 0.127439
+H	-2.5828970917	 1.8801718525	 0.8991859095	 0.123651
+H	-3.490221023	 0.9249655314	-1.3046244155	 0.089974
+H	-2.7085411482	-0.4733249463	-2.059005989	 0.116597
+H	-4.3433787071	-0.6571412972	 0.2211587054	 0.284296
+19
+0 5068	2.8080844	1.2414147	1.0494108	4.5174	76.87	-0.23583	-0.013	0.22283	1212.2043	0.15527	-422.549362	-422.540038	-422.539094	-422.583594	34.146
+C	 1.9762682901	-0.3329832352	 1.4690255706	-0.372957
+C	 1.6380737408	 0.4782472656	 0.2098017673	-0.302865
+C	 1.8638239045	-0.2983608157	-1.0586107359	 0.352898
+C	 0.8699517093	-1.21753152	-1.6717332812	-0.327313
+C	 1.3082211922	-0.0002606801	-2.4862031238	-0.256651
+C	 2.6581449307	-0.2758271507	-3.0593844924	 0.428417
+O	 3.1620672819	-0.1239624719	-4.1355829705	-0.320438
+C	 3.2514527567	-0.6237858219	-1.6589348387	-0.09525
+O	 3.7772654472	-1.9197267851	-1.528793366	-0.420182
+H	 1.3651377594	-1.2389185208	 1.5298865883	 0.125963
+H	 3.0279608183	-0.6406429001	 1.4725691764	 0.108299
+H	 1.8028307616	 0.2561019844	 2.3743511217	 0.119931
+H	 0.5908304314	 0.8015113784	 0.2537860091	 0.104478
+H	 2.2431004881	 1.3941372522	 0.1902266038	 0.104137
+H	 1.1631023388	-2.2138881229	-1.985472448	 0.13912
+H	-0.1459267884	-1.1437432814	-1.2952203945	 0.121429
+H	 0.5956188243	 0.7460274194	-2.8155075819	 0.11032
+H	 3.9887032322	 0.1504377906	-1.3953906357	 0.090728
+H	 4.223901271	-1.9903312448	-0.6792647586	 0.289936
+19
+0 5069	2.9174822	1.2572913	1.0417819	3.2625	76.08	-0.23761	-0.02575	0.21186	1212.1089	0.154502	-422.540669	-422.53131	-422.530366	-422.574962	33.967
+C	 1.646480576	-0.459464291	 1.0683237344	-0.383333
+C	 0.9906329589	 0.0759051528	-0.2128233281	-0.304025
+C	 1.494334718	-0.6000191194	-1.4510317434	 0.428416
+O	 2.782661508	-0.2454707967	-1.9566769311	-0.281366
+C	 1.6437574577	-0.0671288157	-2.8346799075	-0.203279
+C	 1.3669451121	-1.4570631104	-3.3908928921	 0.430362
+O	 1.1764363806	-1.905114311	-4.4822135281	-0.305927
+C	 1.2410070922	-2.0468428522	-1.9494998163	-0.186722
+C	 2.1873466699	-3.1629645852	-1.5271262798	-0.41703
+H	 1.4351564434	-1.5238528082	 1.2106356359	 0.12462
+H	 2.7322231502	-0.3328517081	 1.0294198753	 0.136743
+H	 1.2719540395	 0.0761218124	 1.9451299905	 0.120205
+H	-0.0971094748	-0.0554572568	-0.1606068644	 0.109762
+H	 1.180544947	 1.1507697777	-0.3063993668	 0.117046
+H	 1.4816634849	 0.9218603207	-3.2479133406	 0.119518
+H	 0.1913731393	-2.3381612987	-1.8107345392	 0.101395
+H	 1.9840166812	-3.4984850029	-0.5053887943	 0.119869
+H	 2.0723727602	-4.0238510978	-2.192799457	 0.13504
+H	 3.2246004057	-2.8235876395	-1.5828176076	 0.138703
+19
+0 5070	2.8779997	1.3715077	1.0482039	3.7185	76.73	-0.23702	-0.00897	0.22805	1173.1849	0.154815	-422.533188	-422.523839	-422.522895	-422.567401	33.83
+C	 1.4310872052	 0.1427876865	-0.1573741198	-0.260381
+O	 0.0311283473	-0.0295499827	 0.0178352633	-0.280468
+C	-0.4584214197	 0.5689252994	 1.1519496454	 0.45773
+C	-0.697015067	 2.0306341097	 1.2692409742	-0.348583
+C	-1.904529817	 1.0800671371	 1.328168465	-0.274452
+C	-1.9375212726	 0.408008383	 2.6652317017	 0.445129
+O	-2.8077178683	 0.1662064588	 3.4541734466	-0.328185
+C	-0.467454479	-0.094162627	 2.5528420824	-0.21494
+C	-0.3965058577	-1.6197417729	 2.5623339553	-0.402574
+H	 2.0013644787	-0.3073400546	 0.6661811007	 0.118433
+H	 1.6952978453	-0.3596060452	-1.0898371812	 0.134835
+H	 1.6959775907	 1.2061246608	-0.2291675722	 0.116231
+H	-0.393129567	 2.5938717539	 2.1473504223	 0.121752
+H	-0.6550607786	 2.5839470134	 0.336155005	 0.129508
+H	-2.7153063821	 1.1764438805	 0.6168575164	 0.11736
+H	 0.2349945556	 0.3348884916	 3.2764419121	 0.084435
+H	-0.7007759364	-1.9999205268	 3.5411631558	 0.13604
+H	-1.0601877118	-2.0512721756	 1.8071859518	 0.130121
+H	 0.6192082443	-1.9698780698	 2.3556410052	 0.118011
+19
+0 5071	2.8334859	1.2484298	1.1891756	2.5122	75.84	-0.23586	-0.01961	0.21625	1157.4225	0.156071	-422.566725	-422.558043	-422.557099	-422.600215	32.469
+C	 0.8287973805	 1.23380018	 0.0979815669	-0.381792
+C	 1.1715330906	-0.2586014218	 0.051783014	-0.261198
+C	 1.9074051108	-0.6597798917	-1.1993188569	 0.462182
+C	 1.8490748401	-2.0256246539	-1.7896384689	-0.364105
+C	 1.2779472115	-0.825812528	-2.5692077212	-0.23999
+C	 2.2251070954	-0.1815916458	-3.5194547929	 0.393115
+O	 2.0556602271	 0.0782905165	-4.6834864633	-0.321397
+C	 3.4789360711	 0.174326459	-2.7024770598	-0.208169
+O	 3.1534848412	 0.0051383707	-1.3321086694	-0.303662
+H	 0.3311612777	 1.4901165112	 1.037535028	 0.114541
+H	 1.7361694463	 1.8372150527	 0.0149408599	 0.135016
+H	 0.1611232084	 1.5121252101	-0.7240969867	 0.11727
+H	 1.7974336575	-0.5250769478	 0.9126350383	 0.115634
+H	 0.2624524897	-0.8656701278	 0.1280600702	 0.102206
+H	 2.7635015307	-2.4889316362	-2.1446098769	 0.128383
+H	 1.1063492284	-2.7182669685	-1.4095950446	 0.129031
+H	 0.2160028449	-0.7802867236	-2.7723412264	 0.114653
+H	 4.3187449606	-0.4700652139	-2.9998898621	 0.128248
+H	 3.7687922074	 1.2133878989	-2.8903982484	 0.140033
+19
+0 5072	3.9506759	1.0985365	0.9866231	4.8179	75.37	-0.25895	0.01237	0.27132	1245.4705	0.157617	-422.595833	-422.58737	-422.586426	-422.629041	31.633
+C	 2.4639115256	-1.0473958212	 1.1485380644	-0.381358
+C	 1.7398958716	-0.5426371374	-0.1068900209	-0.286146
+C	 2.4348914134	-0.9309758633	-1.3924569926	 0.339905
+C	 2.1963790316	-2.2592193126	-2.0439165294	-0.327885
+C	 1.7478783975	-0.9815771257	-2.7388541889	-0.267498
+C	 2.7215562673	-0.4549275286	-3.7415964924	 0.459467
+O	 2.5578567573	-0.2242791855	-4.9039089399	-0.346567
+O	 3.9291613577	-0.2544517561	-3.1226687345	-0.235905
+C	 3.8072765557	-0.3348206526	-1.6948709279	-0.142962
+H	 2.5533441306	-2.1384759117	 1.1398249135	 0.123577
+H	 3.4740769054	-0.6309759088	 1.2246224111	 0.122339
+H	 1.920949014	-0.7599491183	 2.0534982304	 0.120997
+H	 0.7178489346	-0.9389727767	-0.1240829673	 0.104914
+H	 1.6454255383	 0.5503047283	-0.0636194563	 0.106449
+H	 3.0298526008	-2.8117298222	-2.4666662764	 0.131367
+H	 1.4019992002	-2.8770899817	-1.6392250443	 0.124456
+H	 0.6956565263	-0.7898825775	-2.899652427	 0.116779
+H	 4.6383678047	-0.9399573808	-1.3199557619	 0.122348
+H	 3.8960868372	 0.6775293823	-1.2810924995	 0.115723
+19
+0 5073	3.9057922	1.1026872	0.9860787	3.2964	75.63	-0.23841	-0.02667	0.21174	1249.6921	0.156363	-422.577006	-422.568324	-422.567379	-422.610572	32.332
+C	 3.0612930027	 0.6008955638	 1.123670483	-0.384462
+C	 2.9981454803	-0.9144986853	 0.88810208	-0.276858
+C	 2.6277059284	-1.2731195783	-0.5297109412	 0.423126
+C	 3.5349075866	-0.9152294855	-1.7076683494	-0.288293
+C	 2.9705327524	-1.7133311857	-2.9044055954	-0.339516
+C	 2.1986715235	-2.8823015261	-2.279036588	 0.422914
+O	 1.9952080954	-3.9618562865	-2.7722697429	-0.31759
+C	 1.8152784837	-2.4581884474	-0.8855495646	-0.15891
+O	 1.2464321375	-1.1311945685	-0.8799390751	-0.290997
+H	 3.2896467129	 0.8187910691	 2.1706737275	 0.119612
+H	 3.8348246375	 1.073844038	 0.5104644136	 0.120995
+H	 2.102840132	 1.0689665901	 0.8802806167	 0.135803
+H	 3.9662760334	-1.3726806116	 1.1258958812	 0.105912
+H	 2.2588205647	-1.3609755448	 1.5611936904	 0.113145
+H	 3.551692666	 0.1632740947	-1.8869950162	 0.117913
+H	 4.560445403	-1.2274084748	-1.4805147645	 0.113312
+H	 2.2666464698	-1.1107310863	-3.4872777648	 0.145237
+H	 3.7322983258	-2.0881264514	-3.5898900817	 0.130249
+H	 1.4099530843	-3.1678907134	-0.1711767483	 0.108409
+19
+0 5074	2.8787388	1.2205405	1.1959452	2.5403	75.93	-0.23347	-0.00905	0.22442	1150.367	0.156726	-422.564637	-422.556071	-422.555127	-422.59794	32.184
+C	 1.3474678371	-0.1832142806	 0.0798270854	-0.260907
+O	-0.040311387	 0.1027720779	 0.0222934791	-0.288316
+C	-0.5482765756	 0.7931849204	 1.1102620957	 0.453528
+C	-1.9168177538	 0.4229867302	 1.535480836	-0.340764
+C	-0.7428849176	 0.1202256887	 2.4778466829	-0.230875
+C	-0.4475996796	 1.1465389295	 3.5159513587	 0.423769
+O	-0.1932981573	 0.9409395379	 4.6776474057	-0.333328
+C	-0.4338075941	 2.5261547548	 2.8328608563	-0.344614
+C	-0.1263001858	 2.2459873073	 1.3465799904	-0.29606
+H	 1.6098626461	-0.7130508034	 1.005332283	 0.117002
+H	 1.568288584	-0.8244083319	-0.7759994825	 0.133503
+H	 1.9638993591	 0.7224354811	 0.0060548671	 0.116129
+H	-2.6364613359	 1.1886012906	 1.8059150838	 0.120037
+H	-2.3376677027	-0.4532582295	 1.0564147026	 0.135343
+H	-0.5012908114	-0.9163874422	 2.6740716142	 0.109212
+H	-1.4185544829	 2.9907046315	 2.9628737644	 0.131235
+H	 0.2915649318	 3.177192043	 3.3237083289	 0.130342
+H	-0.6357501958	 2.9289979894	 0.6599100536	 0.111599
+H	 0.9487540712	 2.3454920651	 1.1671347746	 0.113167
+19
+0 5075	2.7822959	1.1825424	1.1652381	2.4861	75.53	-0.23803	-0.01201	0.22602	1168.9931	0.157524	-422.581487	-422.573018	-422.572074	-422.614612	32.265
+O	 0.0188236645	-1.1959008065	 0.0266247579	-0.410785
+C	 0.093515	 0.2205588866	 0.0448188566	-0.155182
+C	-0.5587738384	 0.859516062	-1.158428321	 0.311791
+C	-0.0854914321	 2.1846958343	-1.6501775174	-0.34374
+C	 0.1709856109	 0.9436517715	-2.5013347551	-0.193616
+C	-0.8280957667	 0.6631632603	-3.5761640539	 0.423259
+O	-0.5781348723	 0.3555935609	-4.7153573062	-0.331327
+C	-2.2327327591	 0.7516773754	-2.9562853584	-0.348772
+C	-2.0268351383	 0.5218673022	-1.4456076089	-0.278679
+H	 0.4720086597	-1.5007648096	-0.7669893907	 0.285243
+H	-0.4270744422	 0.5279039534	 0.9593573978	 0.11687
+H	 1.1348379133	 0.5694843864	 0.1303135039	 0.087857
+H	-0.8041692466	 2.9207995289	-1.9954564745	 0.122254
+H	 0.796978876	 2.6120223602	-1.1850156003	 0.124125
+H	 1.1955816141	 0.6252143346	-2.6541135924	 0.100229
+H	-2.6474781157	 1.7434966221	-3.1728842672	 0.129279
+H	-2.8940242329	 0.0248699411	-3.4313707834	 0.132129
+H	-2.7071250941	 1.1159897501	-0.8263980396	 0.103329
+H	-2.18701355	-0.5304912439	-1.1935149971	 0.125736
+19
+0 5076	3.2325631	1.1151108	1.0439293	1.6063	76.82	-0.23514	0.00878	0.24392	1248.072	0.15573	-422.551208	-422.542119	-422.541175	-422.585135	33.54
+C	 1.3950518242	 0.650736163	-0.1818069064	-0.502265
+C	 0.0428585514	 0.0888171053	 0.1197458602	 0.349263
+C	-0.2750088633	-1.1610543102	 0.4767689157	-0.179022
+C	-1.7615891117	-1.3547727744	 0.6853798376	-0.341643
+C	-2.3327110141	 0.0446202271	 0.4514181843	 0.398304
+C	-3.7601922955	 0.2506237048	-0.0018572761	-0.182914
+O	-4.0603511554	-0.4307572949	-1.2114121735	-0.408316
+O	-1.8527966927	 1.0182254563	 1.3862040381	-0.301343
+C	-1.2047633215	 0.919627038	 0.090762631	-0.132667
+H	 1.6571358788	 1.4522085712	 0.5200001409	 0.135184
+H	 2.1697548856	-0.1186436705	-0.1259099948	 0.125441
+H	 1.4273817342	 1.0908495327	-1.1865144336	 0.127911
+H	 0.4413335197	-1.9599945581	 0.6369098689	 0.092919
+H	-2.1774401077	-2.0744121671	-0.0330844208	 0.099328
+H	-2.0020601157	-1.7242152202	 1.6899380691	 0.119942
+H	-4.4494047888	-0.0412160378	 0.8055026362	 0.097011
+H	-3.9159609738	 1.3171154835	-0.1883594883	 0.121941
+H	-4.2177622209	-1.3561213493	-1.0040356991	 0.288563
+H	-1.3002173628	 1.8025000807	-0.5361985594	 0.092363
+19
+0 5077	2.6984883	1.3413029	1.0596546	3.3817	76.43	-0.24298	-0.0154	0.22758	1190.001	0.156025	-422.5504	-422.541214	-422.54027	-422.58464	33.578
+C	-0.9747587666	 2.0302127777	-1.19320488	-0.407999
+C	-1.0664559933	 1.119450186	 0.0282250221	-0.110943
+C	-2.2283285708	 0.1005112274	 0.0594454909	-0.124191
+C	-2.0882152088	-0.7775194324	 1.2516998565	-0.33361
+C	-1.2376078366	-1.1057873467	 0.0340641124	 0.222538
+C	-1.1842650774	-2.4379274479	-0.6680939791	-0.182875
+O	-0.1068501284	-3.2168800057	-0.1752231201	-0.416378
+C	-0.1309745241	-0.1140047852	-0.0826727466	 0.363634
+O	 1.0183556028	-0.2450137694	-0.4222535687	-0.34985
+H	-1.097368422	 1.4628999456	-2.1218219155	 0.122153
+H	-1.7476230284	 2.8043224213	-1.1625597678	 0.120926
+H	 0.0021975063	 2.5198468286	-1.2281121134	 0.139694
+H	-0.967375943	 1.7027259331	 0.9508735344	 0.094528
+H	-3.1421411721	 0.1897571734	-0.5143439072	 0.109083
+H	-1.6321064886	-0.396850292	 2.1620882677	 0.122443
+H	-2.8815451327	-1.4991807641	 1.4225683435	 0.128055
+H	-2.0995559197	-3.0135670552	-0.4954143513	 0.109227
+H	-1.0930594863	-2.2790271022	-1.7544416394	 0.09555
+H	 0.6927676698	-2.6928892425	-0.3120675184	 0.298015
+19
+0 5078	2.889672	1.2834721	1.0195314	2.799	76.54	-0.24378	-0.01245	0.23133	1216.5352	0.155452	-422.55056	-422.541233	-422.540288	-422.585051	33.991
+C	 1.2305683474	-0.4534421395	 1.037566026	-0.378831
+C	 0.8100743463	 0.0686432845	-0.3439362019	-0.295829
+C	 1.6783368604	-0.4708999298	-1.4478723995	 0.242755
+C	 1.4626741122	-1.8227327584	-2.1084182484	-0.336333
+C	 1.4553894606	-0.6416017142	-3.0051817057	-0.147352
+C	 2.9172354427	-0.2724458618	-3.319655937	 0.058424
+O	 3.1198121874	 0.867720601	-4.1095554611	-0.449512
+C	 3.0101788673	 0.0779291021	-1.8090078489	 0.300491
+O	 3.7100248943	 0.9087640267	-1.2833196027	-0.345454
+H	 1.1641921531	-1.5452494446	 1.0848066348	 0.116072
+H	 2.2629879822	-0.1668400324	 1.2574818519	 0.14145
+H	 0.5892410569	-0.0404723172	 1.8217659886	 0.115509
+H	-0.2348747827	-0.1976748908	-0.5444890286	 0.101494
+H	 0.8667867818	 1.1633801453	-0.3524094655	 0.116808
+H	 2.2714956618	-2.5469765208	-2.1727373992	 0.121644
+H	 0.4973576777	-2.2612453694	-1.8748795653	 0.12928
+H	 0.5996150072	-0.2899326217	-3.5652220262	 0.122673
+H	 3.5110673684	-1.1180553847	-3.6918267596	 0.08843
+H	 3.6248502553	 1.4912078358	-3.5702386416	 0.298281
+19
+0 5079	2.956616	1.277927	1.0334707	2.6083	76.29	-0.23601	-0.02434	0.21167	1228.7179	0.15455	-422.541294	-422.531865	-422.53092	-422.575743	33.955
+C	 1.3551096034	-0.3491949804	 1.0157527751	-0.385913
+C	 0.8721820693	 0.1683253034	-0.3474587068	-0.319687
+C	 1.7155744944	-0.3422165711	-1.4703503574	 0.308354
+O	 1.5670792046	-1.7272662424	-1.8935238877	-0.282365
+C	 1.4559405157	-0.7108497557	-2.8872866909	-0.072671
+C	 2.8916899802	-0.4006999802	-3.3507185686	-0.136403
+C	 3.711180989	-1.5089893499	-3.9968839818	-0.411161
+C	 3.1611717605	-0.0178307448	-1.8577648675	 0.375416
+O	 4.0904024946	 0.4692427498	-1.2839058321	-0.308239
+H	 1.309721302	-1.4414355223	 1.0519737323	 0.133914
+H	 2.3893070834	-0.0450138562	 1.2000139704	 0.14395
+H	 0.7317777252	 0.0463414425	 1.8224508915	 0.115746
+H	-0.1669536729	-0.129947678	-0.5257502288	 0.114954
+H	 0.9011913283	 1.2646462101	-0.3628507473	 0.114927
+H	 0.5245226539	-0.6365329915	-3.4365031959	 0.114294
+H	 2.9365657243	 0.5262887231	-3.9375820103	 0.102418
+H	 3.5842626083	-2.444225177	-3.4461966078	 0.138853
+H	 3.4092666304	-1.6723991783	-5.0364092756	 0.118937
+H	 4.7735699255	-1.2473651512	-3.9910334708	 0.134676
+19
+0 5080	2.8140592	1.3368311	1.0756287	2.6388	77.12	-0.22867	-0.01038	0.21829	1193.664	0.154943	-422.532762	-422.523402	-422.522458	-422.567041	33.799
+C	 1.5407419111	 0.1769200049	 0.0508247566	-0.264168
+O	 0.1314726497	-0.0300807338	 0.0121377349	-0.277201
+C	-0.5301254642	 0.5355987777	 1.0680496773	 0.339481
+C	-0.8920854789	 2.0209812788	 1.0930243517	-0.355776
+C	-1.9982301564	 1.019989002	 1.148076911	-0.146653
+C	-2.1370617257	 0.502341367	 2.5934919865	-0.112513
+C	-3.1525373086	-0.6122390023	 2.8321170882	-0.408973
+C	-0.6896038727	-0.0570464113	 2.4390557936	 0.341813
+O	-0.063374217	-0.8666226818	 3.0655796661	-0.336156
+H	 1.9799050379	-0.2727298388	 0.9486139142	 0.141616
+H	 1.9522897771	-0.30737977	-0.8367370432	 0.131272
+H	 1.7856169597	 1.2477190245	 0.0266756017	 0.111437
+H	-0.6732120228	 2.6503494913	 1.9517863137	 0.118712
+H	-0.725458518	 2.4900494017	 0.1281633924	 0.129372
+H	-2.7483048511	 0.9173963882	 0.3749028613	 0.114505
+H	-2.2505142086	 1.2976630644	 3.3388197668	 0.089787
+H	-2.9871540292	-1.0697330769	 3.8112796385	 0.138068
+H	-4.1754483574	-0.2244683058	 2.7995104413	 0.11879
+H	-3.0611147951	-1.3988463398	 2.0759360073	 0.126588
+19
+0 5081	2.7197253	1.2324187	1.1676044	2.2306	75.91	-0.24684	0.00089	0.24773	1178.1698	0.156154	-422.548834	-422.540019	-422.539075	-422.58236	33.108
+C	 1.477590514	 1.1797220169	 0.1292694961	-0.398653
+C	 1.1522296911	-0.317313842	 0.0304865786	-0.063923
+C	 1.7709032595	-0.9826202523	-1.1877840116	-0.086385
+C	 2.6513627272	-1.9324156937	-0.8647695709	-0.131438
+C	 2.7056393148	-2.1100150146	 0.6206548534	 0.341889
+C	 3.923699756	-2.6549921266	 1.3211546662	-0.166137
+O	 5.1091688667	-1.9807743024	 0.9302219735	-0.40796
+O	 1.4311554846	-2.5111357647	 1.1820955443	-0.302143
+C	 1.757746348	-1.121371916	 1.1808012246	-0.0399
+H	 1.0317341458	 1.6201456892	 1.0276506127	 0.117869
+H	 2.5599146554	 1.34264911	 0.1690108919	 0.115378
+H	 1.0918078116	 1.7227145126	-0.7387397687	 0.122376
+H	 0.061666919	-0.4464958689	 0.0234416933	 0.100391
+H	 1.4891780396	-0.7013022719	-2.1969666988	 0.100573
+H	 3.235890523	-2.5308142059	-1.5522285121	 0.106463
+H	 3.7578221472	-2.6258920531	 2.4077990434	 0.099739
+H	 4.074321321	-3.7038110475	 1.0420166647	 0.119583
+H	 4.9993152462	-1.048211047	 1.1433596259	 0.283793
+H	 1.8750873892	-0.6682475222	 2.1641880336	 0.088484
+19
+0 5082	2.6855434	1.2462725	1.1749971	2.4819	75.63	-0.2453	-0.01114	0.23415999999999998	1174.4035	0.15603	-422.551697	-422.542893	-422.541949	-422.585184	33.209
+C	 1.4376947521	 1.0041349115	 0.2792353942	-0.383041
+C	 1.082180181	-0.434518807	-0.1161251993	-0.288915
+C	 1.8103779877	-0.9021242852	-1.3491676462	 0.402614
+O	 1.1993783935	-1.9995071059	-2.0820287421	-0.300606
+C	 1.3525834184	-0.7447257826	-2.7431552554	-0.087904
+C	 2.5785695315	-0.6604318794	-3.6567000876	 0.065371
+O	 2.6451374041	 0.5718042691	-4.3630775765	-0.424452
+C	 3.7293030423	-0.8675271408	-2.6895843344	-0.136238
+C	 3.308771128	-0.9597970531	-1.4249232448	-0.131135
+H	 0.903941755	 1.3016144584	 1.1863020784	 0.120991
+H	 2.5098494975	 1.113330745	 0.4726796892	 0.120987
+H	 1.170374402	 1.7089600689	-0.5149960525	 0.116966
+H	 1.3154587473	-1.1153929641	 0.7129600054	 0.107383
+H	 0.0071872459	-0.5279607555	-0.2997105859	 0.114937
+H	 0.4395339784	-0.2290997373	-3.0336415999	 0.09753
+H	 2.5463859217	-1.4397387603	-4.4260333826	 0.110885
+H	 2.8465597559	 1.2598205336	-3.7187538833	 0.279954
+H	 4.7556730417	-0.9430940224	-3.0303446288	 0.108451
+H	 3.9375600261	-1.1057455531	-0.553909658	 0.106225
+19
+0 5083	3.5161362	1.1369	1.0750415	2.1972	77.05	-0.24071	0.00377	0.24448	1206.3208	0.156246	-422.538701	-422.529969	-422.529025	-422.57194	33.099
+C	 1.3311744863	 0.0037158784	-0.1009593696	-0.254406
+O	-0.0422720136	-0.1564647173	 0.2045105171	-0.287994
+C	-0.4649290526	 0.5758037052	 1.306965576	 0.420741
+C	-0.6432383108	 2.0802839506	 1.203790711	-0.344802
+C	-1.8482914104	 1.1768712442	 1.3579454811	-0.167384
+C	-2.4106299433	 0.9388655856	 2.7620770409	 0.093036
+O	-3.5778176342	 0.1252387596	 2.7678930345	-0.43051
+C	-1.247659367	 0.3012641633	 3.4997257367	-0.138884
+C	-0.2120075807	 0.0627084684	 2.6906112519	-0.151176
+H	 1.9791484294	-0.3600747313	 0.7092797507	 0.108648
+H	 1.5279385015	-0.5871682139	-0.9983717865	 0.128043
+H	 1.5811942149	 1.055333606	-0.2985359615	 0.111286
+H	-0.3294844289	 2.7026139904	 2.0361003437	 0.112898
+H	-0.5086541575	 2.5205196392	 0.2204045138	 0.116382
+H	-2.5247796418	 1.0793259102	 0.5176069129	 0.104329
+H	-2.7252925962	 1.8789372295	 3.2302430979	 0.096568
+H	-3.3090870258	-0.7521779718	 2.4720368249	 0.278531
+H	-1.2967292643	 0.0787206958	 4.5593466064	 0.10237
+H	 0.7233412048	-0.4045421022	 2.977637828	 0.102326
+19
+0 5084	3.4161834	1.0960607	1.0388146	2.1649	76.96	-0.23999	0.00845	0.24844	1222.5047	0.157025	-422.555366	-422.546638	-422.545694	-422.588639	33.244
+O	 1.4570996817	 0.4549359762	-0.4066315164	-0.420203
+C	 0.1027582619	 0.2525078266	-0.018185103	-0.186504
+C	-0.7628927663	 0.4206142108	-1.2351843079	 0.347741
+C	-0.9840605783	-0.74213898	-2.1879797412	-0.313801
+C	-2.1413805376	-0.2011758156	-1.3924616852	-0.152569
+C	-3.0549251264	 0.8402297726	-2.048258172	 0.094698
+O	-4.1237501777	 1.250715962	-1.1987047752	-0.432448
+C	-2.1046386262	 1.9726601385	-2.3828534951	-0.152222
+C	-0.880103212	 1.7574165286	-1.8920793934	-0.135798
+H	 1.9978752565	 0.4674319931	 0.3888166998	 0.287246
+H	-0.0467348856	-0.7544363457	 0.4033418174	 0.084898
+H	-0.1942829673	 0.9795062439	 0.7549816894	 0.084173
+H	-0.9344682845	-0.5394285278	-3.252756356	 0.114854
+H	-0.592022235	-1.7105658607	-1.8915721808	 0.111706
+H	-2.5789407394	-0.8204994712	-0.6173272599	 0.090778
+H	-3.552132815	 0.4360685232	-2.9376827803	 0.095067
+H	-3.7292210342	 1.7609213715	-0.4822944346	 0.272788
+H	-2.4238594112	 2.8410922941	-2.9474274783	 0.098449
+H	-0.0300189735	 2.4241833898	-1.9791195072	 0.111145
+19
+0 5085	3.3793968	1.0413405	0.9195	0.8022	76.4	-0.25304	-0.03121	0.22182999999999997	1326.3161	0.154701	-422.532339	-422.523181	-422.522237	-422.567006	32.973
+C	 1.40872228	 0.8269583517	 0.933905172	-0.38122
+C	 1.1542934773	-0.6572313923	 0.634428106	-0.300538
+C	 1.329189193	-0.9865157055	-0.8145576169	 0.446272
+C	 0.4345857424	-0.597425192	-2.007874412	-0.317341
+C	 0.9282544347	-1.8748789796	-2.7569244751	-0.113576
+C	-0.1233431304	-2.9258191005	-3.006240443	 0.129933
+O	-1.2610139721	-2.8787128963	-2.6104661695	-0.236199
+C	 1.8093545201	-2.1904752782	-1.5126288419	-0.0708
+O	 2.6758696195	-1.073749525	-1.331827551	-0.288912
+H	 1.280315483	 1.0356701805	 1.9997150762	 0.116933
+H	 2.4268634735	 1.109226271	 0.6504598695	 0.134813
+H	 0.7144555258	 1.4686896215	 0.3816236351	 0.121959
+H	 1.842205535	-1.2806306921	 1.2162585933	 0.111589
+H	 0.1361955485	-0.9319893948	 0.9360653309	 0.112074
+H	-0.6325104316	-0.6701762487	-1.7880523376	 0.135785
+H	 0.6666790359	 0.3604823698	-2.4768814811	 0.109967
+H	 1.5244220409	-1.7304895128	-3.6637232706	 0.099145
+H	 0.2408732323	-3.8072705789	-3.5818328959	 0.081486
+H	 2.1451193422	-3.156002748	-1.1492237885	 0.108631
+19
+0 5086	3.5579236	1.0018941	0.8956079	3.0814	76.82	-0.24144	-0.03384	0.20759999999999998	1351.2796	0.154543	-422.525177	-422.515976	-422.515032	-422.559905	33.16
+C	 2.4550930582	 1.5997507778	-0.525899893	-0.377176
+C	 1.7167629385	 0.2818415055	-0.2514917447	-0.290582
+C	 2.033050417	-0.7652430246	-1.2718955321	 0.490073
+C	 1.3931665093	-0.960730044	-2.6103467033	-0.34022
+C	 1.4675554152	-2.1250953192	-1.6376364022	-0.209668
+C	 2.9187960659	-2.6060958812	-1.5744359573	 0.021692
+O	 3.3890279649	-1.2576511409	-1.3215502729	-0.335416
+C	 3.1844148453	-3.4979648203	-0.3764535373	 0.147228
+O	 3.2603414958	-4.6964510765	-0.4394072376	-0.24202
+H	 2.2313075052	 2.3390995331	 0.2482737208	 0.115034
+H	 3.5367286664	 1.4387484105	-0.5410442677	 0.139125
+H	 2.163675917	 2.0200750511	-1.4935066271	 0.121083
+H	 1.9854821365	-0.0943758247	 0.7430326622	 0.1079
+H	 0.6329265101	 0.4458639423	-0.2490165837	 0.106421
+H	 0.397443415	-0.5409366097	-2.7180621949	 0.12027
+H	 1.9988077443	-0.955341292	-3.5123129701	 0.119622
+H	 0.6025117053	-2.6672597338	-1.2806070079	 0.113373
+H	 3.3465417311	-3.0505761714	-2.4797526468	 0.105649
+H	 3.285200529	-2.9386362517	 0.5807310556	 0.087611
+19
+0 5087	4.1623881	0.9166014	0.8492153	3.4722	77.54	-0.24394	-0.02189	0.22205	1392.3353	0.154975	-422.519339	-422.510205	-422.509261	-422.55386	32.914
+C	 1.5096182868	-0.185880444	 0.1436749279	-0.259171
+O	 0.1079070603	 0.0062765907	 0.0282123028	-0.28019
+C	-0.4309869977	 0.7503831721	 1.0509885286	 0.463546
+C	-0.693380018	 0.1783065849	 2.4158183599	-0.346303
+C	-1.8518062662	 0.6867778164	 1.5819127122	-0.159264
+C	-1.9126866245	 2.2245036589	 1.6758028116	-0.070129
+C	-0.4505743572	 2.2830838258	 1.0865981189	-0.337778
+C	-2.9176986164	 2.8464207937	 0.7446222804	 0.155976
+O	-3.728206247	 3.6795710958	 1.0586586984	-0.256723
+H	 1.7667844771	-0.7000205816	 1.0797985618	 0.114419
+H	 1.8162864303	-0.8027579196	-0.7034505827	 0.131622
+H	 2.0549103684	 0.7674200801	 0.1054408054	 0.114654
+H	-0.6270945904	-0.9041780386	 2.4585262379	 0.122071
+H	-0.3959201599	 0.6926976877	 3.3269678496	 0.108724
+H	-2.6726441811	 0.0409503133	 1.2956871159	 0.10556
+H	-2.0470298562	 2.6368279631	 2.6790654692	 0.090377
+H	-0.4399284664	 2.7110270962	 0.0799267452	 0.118728
+H	 0.2976930128	 2.7907477234	 1.7016882166	 0.107089
+H	-2.8546467647	 2.4701804716	-0.3045393097	 0.076792
+19
+0 5088	3.7486522	0.8972561	0.8655356	3.5265	76.88	-0.24654	-0.02147	0.22507000000000002	1385.808	0.155758	-422.533184	-422.524103	-422.523158	-422.567664	33.07
+O	 1.5069399212	-0.1239333686	 0.2704976657	-0.408033
+C	 0.257386799	 0.3824677704	 0.7115570205	-0.19558
+C	-0.5970839181	 0.9234603031	-0.4061271356	 0.357614
+C	-0.5752249051	 0.3926747187	-1.8101830475	-0.344678
+C	-0.227620462	 1.8401816385	-1.574230015	-0.098873
+C	-1.515908895	 2.663036271	-1.3879298176	-0.072548
+C	-1.8897252283	 1.717877533	-0.1825165576	-0.335245
+C	-1.2648822668	 4.0725624968	-0.9274052051	 0.1581
+O	-1.759637499	 5.0586667694	-1.4095175988	-0.256688
+H	 1.3508880524	-0.9817976627	-0.1356096521	 0.28839
+H	-0.3071942077	-0.3778926603	 1.2760919303	 0.094085
+H	 0.4930657661	 1.1884140827	 1.4172536241	 0.113199
+H	 0.2820125352	-0.2248035538	-2.0578064319	 0.109656
+H	-1.4943366972	 0.1173465329	-2.3229433672	 0.107543
+H	 0.7399925463	 2.2406793646	-1.8517473679	 0.102817
+H	-2.2079184999	 2.6810306837	-2.2340387798	 0.089516
+H	-1.8971297185	 2.2577078027	 0.7699325933	 0.112178
+H	-2.8321290622	 1.170636724	-0.2782955666	 0.10843
+H	-0.5595941808	 4.1466928639	-0.0643958413	 0.070117
+19
+0 5089	3.6040691	1.1138719	1.0866786	1.8711	75.26	-0.22803	0.05754	0.28557	1211.5575	0.155134	-422.482497	-422.473676	-422.472732	-422.515933	33.483
+C	 4.5953215851	-2.34430714	 2.9372972668	-0.494103
+C	 3.8927934506	-2.4404316773	 1.6156349895	 0.314497
+C	 3.7084029161	-3.6989836875	 0.8124435875	-0.333257
+C	 2.4897491266	-2.9406078453	 1.2791481788	-0.181696
+C	 2.2569980014	-1.6467242309	 0.4374589124	 0.405927
+C	 0.9615489964	-0.946896294	 0.1890487685	-0.184873
+O	 0.1173964057	-1.6835201646	-0.6817839477	-0.412853
+O	 3.2557698028	-1.5844068665	-0.6072540878	-0.292109
+C	 3.609975574	-1.1801961552	 0.7239100448	-0.130143
+H	 4.4598470488	-3.2615018499	 3.5191114228	 0.123091
+H	 5.6735907104	-2.1894929053	 2.8071696698	 0.122723
+H	 4.2114920686	-1.5111061559	 3.5382305798	 0.117368
+H	 3.9616878967	-3.732177229	-0.2396808218	 0.131398
+H	 3.9030858545	-4.6141058645	 1.363819901	 0.109129
+H	 1.7446159015	-3.3589889163	 1.9432898239	 0.094839
+H	 0.4076481317	-0.8410811352	 1.1280598358	 0.115038
+H	 1.1718174688	 0.0616726161	-0.1974450518	 0.099066
+H	 0.6058037473	-1.8165535889	-1.5017670542	 0.29339
+H	 4.023227453	-0.1854751899	 0.8529258217	 0.102568
+19
+0 5090	3.4888377	1.1141879	1.0730792	1.855	75.44	-0.22929	0.06256	0.29185	1216.8193	0.155119	-422.484316	-422.4755	-422.474556	-422.517629	33.536
+C	 5.5988314658	-1.2706092601	 1.0703951248	-0.503785
+C	 4.2849304718	-1.9467068116	 0.8683976793	 0.42248
+O	 4.2321076456	-3.1557494875	 0.0915230009	-0.283141
+C	 3.3644685359	-2.0646441134	-0.2598932507	-0.119435
+C	 2.1255344382	-2.0446529298	 0.6952297935	 0.295426
+C	 0.8905321511	-1.2513005345	 0.4047015898	-0.167841
+O	 0.1021836711	-1.8278252204	-0.6297568904	-0.414708
+C	 2.2100644565	-3.1689169728	 1.7004998752	-0.34432
+C	 3.0838103673	-1.9545092193	 1.8781159032	-0.20639
+H	 6.1876813648	-1.7865911598	 1.8375119997	 0.132625
+H	 6.1724749962	-1.2674478953	 0.1399641524	 0.13646
+H	 5.4541491848	-0.2360204856	 1.3986966211	 0.126862
+H	 3.4013873304	-1.6978005232	-1.2791963916	 0.107383
+H	 0.3110225601	-1.1215030881	 1.3332921968	 0.086817
+H	 1.1489184948	-0.2487320792	 0.0433072881	 0.107586
+H	-0.060005765	-2.7452624118	-0.3852169409	 0.28256
+H	 1.3725970239	-3.2241841583	 2.3903868158	 0.109166
+H	 2.6521181035	-4.1183448626	 1.4268561105	 0.137806
+H	 3.0180697832	-1.2969610367	 2.7358117225	 0.094449
+19
+0 5091	3.81095	1.1166982	1.0729705	3.2706	75.54	-0.24274	0.0509	0.29364	1234.5812	0.153737	-422.473116	-422.464112	-422.463168	-422.506741	33.642
+C	 1.8916162984	 1.3593956356	 0.3366538225	-0.378696
+C	 1.2984914966	-0.0568678938	 0.3262722982	-0.314022
+C	 1.4666363255	-0.7325737237	-0.9964688214	 0.43695
+O	 2.7527811366	-1.2152238436	-1.3929601821	-0.261187
+C	 1.6484622253	-2.1222212335	-1.419216743	-0.176572
+C	 0.7999344406	-1.8466970267	-2.7339943652	 0.411695
+C	-0.068597919	-2.8204424402	-3.456057893	-0.51006
+O	 1.4530925499	-0.7974067868	-3.4492754467	-0.255247
+C	 0.6409246196	-0.4494551655	-2.3254317748	-0.160198
+H	 1.7547475272	 1.8316798414	 1.3136216709	 0.114852
+H	 2.9623517317	 1.3292254883	 0.1162509317	 0.139514
+H	 1.4131855496	 1.9961352923	-0.414740181	 0.121186
+H	 1.7786020444	-0.6726184759	 1.09480833	 0.114644
+H	 0.2289032425	-0.0183600849	 0.5702423787	 0.103799
+H	 1.7225271299	-3.0451773564	-0.8550746538	 0.106733
+H	-0.7115540803	-3.3618043165	-2.7538173468	 0.126307
+H	-0.7013521369	-2.3029448648	-4.1818758707	 0.138056
+H	 0.5381434833	-3.5584528373	-3.992970432	 0.136239
+H	-0.1686350847	 0.2569158917	-2.4704382615	 0.106008
+19
+0 5092	3.6325829	1.1204889	1.0845949	2.7112	74.88	-0.22136	0.0621	0.28346	1211.2394	0.154695	-422.480868	-422.472082	-422.471138	-422.514075	33.793
+C	 1.3200866158	-0.0450886034	 1.1532150481	-0.378865
+C	 0.7696567669	 0.2278574292	-0.2535995037	-0.303609
+C	 1.4865121323	-0.5539346375	-1.3083941267	 0.453416
+O	 2.8082153939	-0.1265051241	-1.7055237247	-0.284337
+C	 1.7985603447	-0.3052523999	-2.7127837832	-0.175302
+C	 1.6618119496	-1.8341729885	-3.0421197956	 0.370644
+O	 1.0917425485	-2.3197322047	-4.2005487544	-0.447924
+C	 2.6036185352	-2.6567183733	-2.2330843741	-0.312136
+C	 1.3544748652	-2.0963034897	-1.5692270829	-0.240667
+H	 1.2337901786	-1.1050431898	 1.4133617335	 0.12253
+H	 2.3771817952	 0.2294488261	 1.2123985851	 0.135699
+H	 0.7735039866	 0.5317647537	 1.9047655201	 0.113939
+H	-0.2979668136	-0.0238035594	-0.2935710828	 0.101591
+H	 0.857718852	 1.2932671127	-0.4932887748	 0.111809
+H	 1.5864127077	 0.5273408705	-3.3763337284	 0.101792
+H	 0.1852016298	-1.9968912842	-4.2564232671	 0.286558
+H	 2.534937707	-3.7182569496	-2.4492911596	 0.117556
+H	 3.5860142686	-2.2907563002	-1.9624999152	 0.134884
+H	 0.597986786	-2.7258882979	-1.1191821736	 0.092421
+19
+0 5093	3.6637654	1.1535178	1.1200616	0.9244	75.81	-0.22656	0.06863	0.29519	1195.0064	0.154172	-422.466062	-422.457149	-422.456205	-422.499424	33.524
+C	 1.6272197576	 0.3281579046	 0.0171706734	-0.256845
+O	 0.2439582946	 0.0046513086	 0.0059586599	-0.275558
+C	-0.4430441869	 0.5386373723	 1.0693275054	 0.417387
+C	-0.8772478645	 1.9750228519	 1.1726889311	-0.351156
+C	-1.914972818	 0.8648092799	 1.1393421653	-0.239606
+C	-1.990398872	 0.0995548781	 2.5076018489	 0.427356
+C	-3.177494534	-0.6256780283	 3.0459854124	-0.502947
+O	-1.0685872157	 0.712464004	 3.4326820849	-0.281244
+C	-0.5636945692	-0.2054004881	 2.4499862447	-0.145061
+H	 2.1240369381	-0.0463670692	 0.9230323461	 0.11315
+H	 2.0726211697	-0.1511699733	-0.8571676134	 0.127699
+H	 1.7826823503	 1.4136362656	-0.0421378586	 0.116364
+H	-0.7188536005	 2.5579269658	 2.0711507135	 0.133399
+H	-0.8004719468	 2.5159234945	 0.2342225363	 0.114572
+H	-2.6620381862	 0.7827665906	 0.3612242748	 0.101584
+H	-2.8965477642	-1.2163783484	 3.9218060155	 0.134774
+H	-3.9630415113	 0.0789983122	 3.3420700659	 0.132061
+H	-3.5959247936	-1.2957484162	 2.2878423468	 0.129265
+H	 0.0133504327	-1.0592531646	 2.7877698471	 0.104805
+19
+0 5094	3.4124737	1.1682088	1.1385951	1.8115	75.7	-0.21072	0.07845	0.28917	1174.075	0.154684	-422.464357	-422.455559	-422.454614	-422.497465	33.834
+C	 1.4709978208	-0.1561043714	 0.1163935528	-0.256484
+O	 0.0637743413	 0.0091085011	 0.0355317358	-0.27354
+C	-0.4547747451	 0.7291709777	 1.0869843464	 0.4545
+C	-0.7546051305	 0.1126251769	 2.4281947553	-0.372138
+C	-1.8718170652	 0.7093513817	 1.5886042549	-0.230506
+C	-1.8797763466	 2.2733328395	 1.5641197922	 0.399226
+O	-2.946497584	 2.9704977918	 1.029028289	-0.454369
+C	-0.8143234259	 2.9228802422	 2.4057052157	-0.371369
+C	-0.4585017757	 2.2934149503	 1.0698742544	-0.188486
+H	 1.7577273505	-0.7046356346	 1.0243087448	 0.11107
+H	 1.7758147494	-0.7275558202	-0.7629566502	 0.12673
+H	 1.9934743032	 0.8107918805	 0.1132406052	 0.113288
+H	-0.7432311385	-0.9736500925	 2.3992974307	 0.117595
+H	-0.4426336884	 0.5280084121	 3.380473692	 0.108812
+H	-2.709596622	 0.1260315833	 1.2297942726	 0.103524
+H	-3.5912576254	 3.1179564818	 1.7308972436	 0.284575
+H	-0.8532739708	 4.0079124706	 2.3617016913	 0.116205
+H	-0.4635416081	 2.5351405793	 3.356308407	 0.1093
+H	-0.0360209789	 2.8627207998	 0.2524605964	 0.10207
+19
+0 5095	3.2749694	1.1217831	1.0874766	2.6064	75.33	-0.21333	0.07349	0.28681999999999996	1198.5582	0.155641	-422.481805	-422.473071	-422.472127	-422.514943	33.867
+O	 1.8407898188	 0.5594245952	-0.0444198065	-0.415299
+C	 0.6208391411	 0.0773237776	 0.5076779382	-0.165293
+C	-0.3954854134	 1.1601427892	 0.6994743664	 0.334209
+C	-0.5213091416	 1.9585172358	 1.977257347	-0.367811
+C	-1.6853618326	 1.1282073541	 1.5044322094	-0.195121
+C	-2.4447566583	 1.726938314	 0.278543669	 0.396814
+O	-3.6525701742	 1.198307621	-0.1359714333	-0.45494
+C	-1.9226822716	 3.0575714092	-0.1845981975	-0.374511
+C	-1.1607916953	 1.7834946226	-0.5069915968	-0.166769
+H	 2.1377494974	 1.2844252267	 0.5157025255	 0.279854
+H	 0.2567772015	-0.6693255122	-0.2074102588	 0.112284
+H	 0.7872904085	-0.4418289331	 1.4660772691	 0.082175
+H	 0.0105720639	 1.5295322476	 2.8232789015	 0.111128
+H	-0.5486665644	 3.0421593753	 1.9959632926	 0.114048
+H	-2.0887142984	 0.3001366342	 2.0742633682	 0.095909
+H	-4.3594730338	 1.6633083865	 0.3268314951	 0.284944
+H	-2.4689659424	 3.4387451258	-1.0427262811	 0.117545
+H	-1.5455852764	 3.834060777	 0.4729147152	 0.107454
+H	-0.9645748487	 1.4837555137	-1.5279725433	 0.10338
+19
+0 5096	4.484425	1.0005408	0.9480609	0.8958	76.29	-0.24974	0.07401	0.32375	1309.0638	0.154982	-422.496542	-422.487827	-422.486883	-422.530114	32.622
+C	 0.9679379953	-0.2607500886	 1.1666967599	-0.381078
+C	 0.7882501629	 0.3269479293	-0.2401332955	-0.300306
+C	 1.4024135265	-0.5294061996	-1.3023213913	 0.440535
+C	 0.9398934289	-1.9156882744	-1.8151890723	-0.391121
+C	 1.5992879743	-1.5521960398	-3.1661055201	 0.454795
+C	 2.1648131422	-2.3610870292	-4.240944883	-0.263763
+O	 0.9065807544	-1.6747432926	-4.3921469082	-0.274484
+C	 2.0299039344	-0.2076065548	-2.6011066461	-0.174258
+O	 2.8338847253	-0.5160394685	-1.4485343185	-0.288005
+H	 0.4949468413	-1.2448176131	 1.2500720443	 0.120659
+H	 2.0295070469	-0.3763462264	 1.4043019092	 0.135351
+H	 0.5181484372	 0.3910424234	 1.9210268798	 0.116477
+H	-0.279012519	 0.4525005939	-0.4609174991	 0.107142
+H	 1.2462664876	 1.3208621166	-0.2922546802	 0.113363
+H	 1.3335008878	-2.7773255229	-1.2716602778	 0.113227
+H	-0.1447542432	-1.9996727133	-1.9265365696	 0.122307
+H	 2.9836986929	-1.9713591267	-4.8435855817	 0.120329
+H	 2.0952225525	-3.4466339992	-4.1933182191	 0.119997
+H	 2.2009322417	 0.7345060262	-3.1097902705	 0.108833
+19
+0 5097	4.4006126	1.0427707	0.9756846	1.5809	76.71	-0.25059	0.0835	0.33409	1264.7735	0.155287	-422.486312	-422.477653	-422.476709	-422.519753	32.431
+C	 1.486504071	-0.1642624625	 0.1627774896	-0.258184
+O	 0.0806227963	-0.021093767	 0.0348310834	-0.280576
+C	-0.4884555252	 0.703043636	 1.0554627362	 0.449886
+C	-0.8012683021	 0.1122563488	 2.3989789001	-0.342963
+C	-1.9382406277	 0.6138262809	 1.5211495104	-0.241047
+C	-1.9817344711	 2.1202607694	 1.5824894836	 0.481396
+C	-3.0986613954	 3.0258086545	 1.3282686968	-0.273255
+O	-2.5522135035	 2.8653920846	 2.6471960222	-0.275697
+C	-0.5154447858	 2.2438348168	 1.1147622424	-0.405556
+H	 1.7539012228	-0.6691672369	 1.101191288	 0.114096
+H	 1.8223042805	-0.7698656675	-0.6815852888	 0.12933
+H	 1.9979144699	 0.8080325703	 0.1298328903	 0.114311
+H	-0.7277934359	-0.9699557931	 2.4370322767	 0.118499
+H	-0.5532413262	 0.6227443337	 3.3259170946	 0.118275
+H	-2.7331488124	-0.0417919513	 1.1884170659	 0.099551
+H	-2.916560912	 3.9926589147	 0.8596205772	 0.113963
+H	-4.1025495766	 2.6254207307	 1.1887157506	 0.115584
+H	-0.4306348724	 2.6999424082	 0.1249585508	 0.115237
+H	 0.1762721957	 2.7301802499	 1.80881719	 0.107151
+19
+0 5098	3.733938	1.1138829	1.0076988	2.0388	76.49	-0.23029	0.06177	0.29206	1237.1884	0.155695	-422.492331	-422.483714	-422.48277	-422.525732	32.907
+O	 1.73931453	 0.517312183	-0.0835416215	-0.412225
+C	 0.324258562	 0.4093369247	-0.1045924683	-0.17117
+C	-0.2374979395	 0.7462282709	-1.447671223	 0.446169
+C	-0.5758188633	 2.0912692881	-2.0084658898	-0.335089
+C	-1.6253817786	 0.9894746069	-1.9984791937	-0.289592
+C	-1.2437370035	-0.0407780131	-3.0300551508	 0.474618
+C	-1.5489879829	-0.1636830413	-4.4836177575	-0.338022
+C	-2.0049290568	-1.2341325026	-3.4948842756	-0.345605
+O	 0.0967786181	-0.1652304889	-2.5168158195	-0.361198
+H	 2.073134644	-0.0618399752	-0.7778303746	 0.295036
+H	-0.0017284325	-0.6019944214	 0.1833067671	 0.09579
+H	-0.0563013933	 1.1127709406	 0.6427392552	 0.112201
+H	-0.7354148512	 2.8749144875	-1.274153827	 0.117017
+H	-0.1293424533	 2.4139964323	-2.9442403915	 0.118637
+H	-2.5810073875	 1.068203543	-1.4975450847	 0.10497
+H	-2.2920583892	 0.4971131873	-4.9173194379	 0.11906
+H	-0.7244947202	-0.4174062854	-5.1409000337	 0.126677
+H	-3.0608588085	-1.3014979526	-3.2528991891	 0.116836
+H	-1.4782906336	-2.1821466437	-3.5073278041	 0.12589
+19
+0 5099	4.2003896	1.0058212	0.9626516	2.778	76.26	-0.24811	0.06478	0.31289	1276.4897	0.156039	-422.499411	-422.490815	-422.48987	-422.532734	32.62
+O	 0.7271822573	-0.7022604857	 0.2568996408	-0.408456
+C	 0.3637360634	 0.6319792441	-0.0612861379	-0.194088
+C	-0.6014657781	 0.731937992	-1.2142636927	 0.340977
+C	-0.666885902	-0.2537620229	-2.344613217	-0.343022
+C	-1.8922759497	-0.0535899392	-1.4797102575	-0.182454
+C	-2.5748677266	 1.2294422053	-1.8967881502	 0.4772
+C	-3.7122568373	 1.464431791	-2.7876460455	-0.272722
+O	-3.8198140574	 1.6343429207	-1.3618822963	-0.280731
+C	-1.2934940168	 2.0455319311	-1.6348377065	-0.396923
+H	 1.346749922	-1.0057321304	-0.4134172105	 0.287025
+H	-0.1018678495	 1.0400280562	 0.8437319959	 0.116991
+H	 1.2531694185	 1.2501422296	-0.2677099027	 0.091754
+H	-0.6594439384	 0.0789219171	-3.380417848	 0.105082
+H	-0.1592876175	-1.1974347823	-2.1724695606	 0.107908
+H	-2.3415194685	-0.8581970651	-0.9113008218	 0.105099
+H	-3.7706119524	 2.3848159441	-3.3675605563	 0.112412
+H	-4.2641733175	 0.61972284	-3.1980658263	 0.114451
+H	-0.8484966689	 2.5943444187	-2.4711941012	 0.098021
+H	-1.4510617205	 2.7295810958	-0.7958139857	 0.121476
+19
+0 5100	4.3639589	0.9932704	0.9380306	3.0131	76.48	-0.25041	0.05754	0.30795	1304.6504	0.155594	-422.495951	-422.487194	-422.48625	-422.529475	32.962
+O	 1.2683243134	 0.8183108156	-0.2386085015	-0.408415
+C	 0.3709185316	-0.123192742	 0.3316612393	-0.180208
+C	-0.7733349458	 0.518808818	 1.0505800014	 0.407654
+C	-0.7378887873	 1.3287812782	 2.3710843437	-0.406814
+C	-2.1718838964	 0.808546394	 2.64560967	 0.381508
+C	-3.3305893787	 1.4946355436	 3.2984135237	-0.316705
+C	-2.6949496636	 0.2846546257	 3.9500301912	-0.332932
+C	-2.1478702958	 0.0583115123	 1.3289035428	-0.147849
+O	-1.8824128699	 1.0188734881	 0.2935827553	-0.280333
+H	 1.6570474249	 1.3297773221	 0.4783349252	 0.28628
+H	-0.0196259136	-0.7141597889	-0.5017493416	 0.124091
+H	 0.8926997819	-0.8082374601	 1.0192730984	 0.090955
+H	-0.0056509528	 0.9547259133	 3.0933755964	 0.104482
+H	-0.6206896558	 2.407919731	 2.2432626066	 0.112509
+H	-3.1535841976	 2.4653112204	 3.7498649189	 0.117194
+H	-4.3131938488	 1.3834321597	 2.8520888082	 0.119125
+H	-2.0928313416	 0.4367344061	 4.8401736615	 0.113986
+H	-3.2479975664	-0.649595466	 3.9434936618	 0.115053
+H	-2.6681866875	-0.850523791	 1.0449630488	 0.10042
+19
+0 5101	3.2840463	1.1428966	0.9946402	1.6561	75.21	-0.23026	0.0546	0.28486	1258.0545	0.155408	-422.479723	-422.470988	-422.470044	-422.513112	33.148
+C	-0.0763050149	-0.0820723744	-0.0324439885	-0.427905
+C	 1.4348799404	-0.1388988969	-0.1038853947	-0.008001
+C	 2.1901355816	 1.1420694051	 0.1489735715	-0.105143
+C	 3.7307486255	 0.9546126189	-0.013942499	-0.078606
+O	 4.0146242901	-0.4010062407	-0.3978520766	-0.294739
+C	 3.7421780888	-0.1045275872	 0.9916719296	 0.389966
+C	 4.7484486664	-0.5581055181	 1.9972889873	-0.184586
+O	 4.6548760684	-1.9510626426	 2.2521259843	-0.413212
+C	 2.1960774463	 0.0229270486	 1.1873018048	-0.143059
+H	-0.4182494543	 0.6249273566	 0.7309456979	 0.113776
+H	-0.5011631366	 0.2313266451	-0.9919454703	 0.121198
+H	-0.4916959941	-1.0650022972	 0.213528302	 0.123081
+H	 1.8372952345	-0.821413652	-0.8435977826	 0.10876
+H	 1.7102510401	 2.1102989144	 0.2074969055	 0.090321
+H	 4.4623513192	 1.7095869457	-0.2786234437	 0.107374
+H	 5.7516742965	-0.2698590076	 1.6492288187	 0.099151
+H	 4.5671448619	-0.0627493102	 2.9571146136	 0.115273
+H	 4.7797293933	-2.4002381663	 1.40878839	 0.293363
+H	 1.7203951368	 0.0058444687	 2.1594249803	 0.09299
+19
+0 5102	3.2149628	1.1652132	1.0027227	1.4138	74.87	-0.2218	0.06096	0.28276	1245.4488	0.154785	-422.478173	-422.469361	-422.468416	-422.511528	33.573
+C	 1.4311259832	 1.2319931031	 0.0612519958	-0.380073
+C	 1.1371323046	-0.2740365009	 0.1127914483	-0.305274
+C	 1.488921813	-0.9658543728	-1.1647968632	 0.431542
+O	 2.8808898936	-1.2099876555	-1.457082129	-0.297419
+C	 1.9509894779	-2.3110103911	-1.5053701502	-0.084633
+C	 1.1891393239	-2.280330266	-2.8602838935	-0.149897
+C	 1.5921310285	-1.0867481824	-3.7054821528	 0.0922
+O	 0.9129578676	-0.9430757486	-4.920389914	-0.440179
+C	 0.7046326954	-0.8701454549	-2.5183244709	-0.159598
+H	 1.15651798	 1.7155346279	 1.0030739684	 0.114091
+H	 2.4952273101	 1.4107029746	-0.1181727012	 0.134672
+H	 0.8689702956	 1.7174477104	-0.7431115783	 0.124023
+H	 1.7029729659	-0.7426776977	 0.9255348116	 0.111418
+H	 0.0730582414	-0.4419305468	 0.3220401377	 0.105614
+H	 2.1776151334	-3.1771786989	-0.8936340834	 0.105604
+H	 0.6120627014	-3.0991489631	-3.2681712223	 0.095399
+H	 2.6186294576	-0.7333852781	-3.6947817953	 0.113633
+H	 1.3623651668	-1.4903648058	-5.5727956642	 0.288324
+H	-0.2928500001	-0.4648219235	-2.6247756134	 0.100551
+19
+0 5103	3.3402746	1.1477709	1.0034877	0.8441	75.24	-0.21355	0.06992	0.28347	1234.2012	0.154747	-422.458878	-422.449961	-422.449017	-422.492261	33.738
+C	 1.4765402184	 0.1508908306	-0.0580132427	-0.257826
+O	 0.0656417362	 0.0167827231	 0.0288931027	-0.274059
+C	-0.4585915397	 0.5589292492	 1.1791948935	 0.442759
+C	-0.7027677676	 2.0366456879	 1.3439102217	-0.370455
+C	-1.8630302661	 1.0525709276	 1.4044657425	-0.157818
+C	-1.9378360556	 0.2506172851	 2.7303983267	-0.122971
+C	-0.8529732229	 0.5579320448	 3.7310310032	 0.135056
+O	-0.8982789032	-0.1033130269	 4.963076467	-0.443177
+C	-0.5061114598	-0.254047717	 2.5101936943	-0.20791
+H	 1.9837324036	-0.3578228951	 0.7736287881	 0.114331
+H	 1.7831112793	-0.3122728772	-0.9982804759	 0.127234
+H	 1.7779153324	 1.2073213428	-0.0569073538	 0.113002
+H	-0.3745784612	 2.6312476267	 2.1889937097	 0.114875
+H	-0.6637860485	 2.566178398	 0.3960933896	 0.117557
+H	-2.6874990283	 1.1133777236	 0.7060569245	 0.101815
+H	-2.813227163	-0.3173157964	 3.0238013833	 0.087917
+H	-0.4725714119	 1.5593247108	 3.8945879132	 0.104652
+H	-1.2502202557	-0.9894481683	 4.8247703188	 0.285294
+H	-0.1277130664	-1.2668989192	 2.5843127938	 0.089723
+19
+0 5104	3.2128741	1.1003031	0.9561481	1.885	74.79	-0.2162	0.05545	0.27165	1266.1983	0.155487	-422.474299	-422.465359	-422.464415	-422.507827	33.925
+O	 1.521666543	 0.4416318036	-0.3693257006	-0.413331
+C	 0.1527625728	 0.276258563	-0.0135526267	-0.175055
+C	-0.7944025906	 0.5147038519	-1.1504929388	 0.328037
+C	-1.0765468681	-0.5153286517	-2.2132419116	-0.35063
+C	-2.2110245194	-0.0099849892	-1.3566897797	-0.122131
+C	-2.6995233259	 1.4128661634	-1.7251340155	-0.123531
+C	-1.96900474	 2.0594362783	-2.8711019864	 0.133534
+O	-2.3914633905	 3.3322235817	-3.2707337544	-0.442069
+C	-1.2737698999	 1.9470632815	-1.5385260357	-0.199261
+H	 1.6293879	 1.3348297111	-0.7118596276	 0.283404
+H	 0.0601984399	-0.7598240719	 0.3298717193	 0.107635
+H	-0.1112411525	 0.9266972729	 0.8368630065	 0.084986
+H	-1.0012166975	-0.3130852528	-3.2749573004	 0.118671
+H	-0.7377380061	-1.5127029512	-1.9474268771	 0.116452
+H	-2.7776708797	-0.6716950464	-0.7127587868	 0.093538
+H	-3.6324055235	 1.8281253599	-1.3613771869	 0.087316
+H	-1.6484667757	 1.5137179153	-3.7505318109	 0.105931
+H	-2.7281705768	 3.8026034336	-2.500305788	 0.284824
+H	-0.9492428594	 2.8370331469	-1.0092860286	 0.081681
+19
+0 5105	3.6519011	1.2482204	1.1227422	0.7533	73.63	-0.25959	0.07216	0.33175	1147.7928	0.156899	-422.537295	-422.52921	-422.528266	-422.569974	31.023
+C	 1.0484966981	 0.9019301554	 0.4452916275	-0.383211
+C	 0.820811309	-0.4823643397	-0.1762885489	-0.280778
+C	 1.8156188551	-0.8045093887	-1.2627643267	 0.442859
+C	 1.8481278993	 0.0078492177	-2.5623108622	-0.316692
+C	 2.4123023881	-0.9652792807	-3.5881487706	 0.057995
+O	 1.5768989635	-2.1086113732	-3.820937294	-0.259332
+C	 2.7185773456	-2.2576515643	-2.9629169699	 0.007555
+C	 2.3590654423	-2.1498520745	-1.5081855529	-0.075875
+O	 3.1420367756	-1.1617888881	-0.8189182705	-0.304544
+H	 0.3274538096	 1.0926801823	 1.2452326632	 0.115827
+H	 2.0545846505	 0.9718594402	 0.8694248425	 0.134193
+H	 0.9391818966	 1.6993121699	-0.2971771524	 0.118938
+H	 0.8915599717	-1.2515201739	 0.6000928013	 0.107075
+H	-0.190281725	-0.5443600788	-0.5978809353	 0.106572
+H	 0.846874652	 0.3459590365	-2.8502667789	 0.114531
+H	 2.4893863436	 0.8892827008	-2.4589290793	 0.116627
+H	 2.9508515135	-0.602985815	-4.4593538454	 0.099916
+H	 3.4979524456	-2.927570684	-3.3154623559	 0.101612
+H	 2.0718178154	-3.021545312	-0.9251954515	 0.096729
+19
+0 5106	3.8549798	1.2777114	1.1420036	1.2285	74.23	-0.24899	0.07683	0.32582	1116.1641	0.15692	-422.5183	-422.510314	-422.50937	-422.550617	30.998
+C	 1.3966954987	-0.1679639015	 0.0385132093	-0.252129
+O	 0.0069787118	 0.1039292288	 0.0675435514	-0.28188
+C	-0.4106872899	 0.7755710444	 1.213143489	 0.429333
+C	-0.5588798615	-0.0069834821	 2.4900286115	-0.344039
+C	-1.7925812277	 0.4951495112	 1.7552798686	-0.147197
+C	-2.3637680157	 1.8154540613	 2.2146593584	 0.026545
+O	-1.6333533807	 2.4437677034	 3.2804145753	-0.255881
+C	-1.3923917075	 2.8886534389	 1.938749455	 0.043268
+C	-0.1590123726	 2.2932580442	 1.2757426727	-0.329462
+H	 1.7120089662	-0.758457936	 0.9100802497	 0.110523
+H	 1.5901355723	-0.7409592164	-0.87128621	 0.126255
+H	 1.9949145893	 0.7539963359	 0.008646257	 0.109045
+H	-0.3682980741	-1.0722402168	 2.4156377207	 0.112436
+H	-0.3124199541	 0.4554252539	 3.4378610761	 0.134242
+H	-2.4444985376	-0.2198850024	 1.2692629317	 0.095958
+H	-3.4385753022	 1.9698862795	 2.2358720729	 0.096838
+H	-1.6712828828	 3.9210370788	 1.7413496571	 0.09664
+H	-0.0824046417	 2.6683367357	 0.2489695351	 0.115005
+H	 0.7595380697	 2.5665843392	 1.8051543287	 0.114497
+19
+0 5107	3.2195793	1.4154571	1.216393	1.7601	73.83	-0.23999	0.07172	0.31171000000000004	1076.2517	0.157538	-422.521607	-422.513706	-422.512762	-422.55386	31.294
+O	 1.4067098848	 0.5712168699	-0.29890687	-0.420271
+C	 0.0412548527	 0.3318553633	-0.0165985642	-0.136032
+C	-0.816177143	 0.4362966003	-1.2483877382	 0.404971
+C	-2.2847103	 0.7603840805	-1.2001600859	-0.366858
+C	-1.3168428049	 1.6989459696	-1.9044812891	-0.115687
+C	-1.0444314708	 1.5386450836	-3.3841593585	-0.068672
+C	-1.7349184633	 0.4382373951	-4.1692515987	-0.328327
+C	-0.3997945068	 0.1827047876	-3.5239972618	 0.090112
+O	-0.3612482017	-0.4483138321	-2.2633137158	-0.309773
+H	 1.6202762283	 0.0000296226	-1.0460515552	 0.286701
+H	-0.1033583098	-0.6602256387	 0.4421626565	 0.094475
+H	-0.2756752522	 1.0814899091	 0.7153675591	 0.106903
+H	-2.9768679166	 0.1611717407	-1.7782709746	 0.119659
+H	-2.6808161364	 1.0975302248	-0.2470746674	 0.113742
+H	-1.126561382	 2.6718297384	-1.46762491	 0.098464
+H	-0.6728319829	 2.4061449799	-3.9152750865	 0.095782
+H	-2.6182471895	-0.0429432901	-3.7680952744	 0.121769
+H	-1.738398743	 0.5432241033	-5.2494416646	 0.114676
+H	 0.4774906872	-0.0280892779	-4.1261139707	 0.098367
+19
+0 5108	3.7232981	1.2235375	1.0915948	1.1732	73.74	-0.25161	0.07507	0.32667999999999997	1138.4201	0.157877	-422.534325	-422.526415	-422.525471	-422.566682	30.991
+O	 1.6917070003	 0.4295050048	-0.0774145582	-0.415778
+C	 0.4158300603	 0.1149636337	 0.4648451697	-0.148551
+C	-0.4852018631	 1.3202341237	 0.5669327544	 0.306527
+C	-0.4352997842	 2.1543784482	 1.8279144098	-0.338281
+C	-1.6754819758	 1.350429069	 1.5155479454	-0.119399
+C	-2.7899753179	 2.0848606699	 0.8041218539	 0.027459
+O	-2.5008812188	 3.4588661537	 0.5052147592	-0.255302
+C	-2.3326072227	 2.4861679456	-0.5364564169	 0.042371
+C	-0.9012905276	 2.0109996436	-0.7432472367	-0.315066
+H	 2.0723978966	 1.1227209488	 0.4726573606	 0.282228
+H	-0.0108655027	-0.6284989888	-0.2186726514	 0.10639
+H	 0.505812307	-0.3630466768	 1.4542153305	 0.0821
+H	 0.1938142261	 1.7911111372	 2.635566144	 0.103316
+H	-0.5134934821	 3.2316457576	 1.7506993528	 0.137352
+H	-1.935020025	 0.497863084	 2.1327508126	 0.085474
+H	-3.8265700304	 1.8709446264	 1.0486862123	 0.096409
+H	-2.9958914139	 2.6120792064	-1.3894937218	 0.095587
+H	-0.8774641994	 1.284144732	-1.5635264287	 0.109003
+H	-0.2367634766	 2.833649791	-1.0253875515	 0.118163
+19
+0 5109	3.8954714	1.2234762	1.1133639	1.8416	73.69	-0.25088	0.07258	0.32345999999999997	1137.7796	0.157935	-422.536687	-422.528755	-422.527811	-422.569215	31.028
+O	 0.7878943081	 1.1256994651	 0.308328892	-0.417419
+C	 0.4553995558	-0.2118585575	 0.6479282454	-0.148027
+C	-0.7258157675	-0.267294821	 1.5796461738	 0.373733
+C	-0.6367602221	 0.2842871353	 3.0019572748	-0.295982
+C	-1.7395545136	-0.4191298356	 3.8010528792	-0.047739
+C	-3.1838150533	-0.2260254522	 3.4225535795	-0.281976
+C	-2.431725465	-1.4244837982	 2.8929905074	-0.061467
+C	-1.8060587462	-1.269988961	 1.5262157372	-0.043104
+O	-1.9858583808	 0.026226047	 0.9298680075	-0.303374
+H	 0.0016401613	 1.5094421887	-0.096641823	 0.292731
+H	 0.2356797066	-0.8127259838	-0.2471702913	 0.092486
+H	 1.3437230084	-0.633417529	 1.1302612218	 0.109694
+H	 0.3450177034	 0.0329068378	 3.4187160578	 0.106195
+H	-0.7206678364	 1.3753858533	 3.0129939681	 0.119642
+H	-1.5238015328	-0.6716528338	 4.8332571524	 0.086635
+H	-3.9224324886	-0.4093198333	 4.195497042	 0.107004
+H	-3.4404023058	 0.5500661634	 2.7123323385	 0.133581
+H	-2.6939501939	-2.4228243448	 3.2216369794	 0.085034
+H	-1.8121884375	-2.1024511804	 0.8270891877	 0.092353
+19
+0 5110	2.4892334	1.5899244	1.1967678	1.6314	74.58	-0.22762	0.05762	0.28524	1091.3425	0.155178	-422.482834	-422.474015	-422.47307	-422.516321	33.449
+C	-0.3088814005	-2.8317703208	 2.6146393168	-0.499648
+C	 0.2729812175	-3.4073019405	 1.3566380691	 0.284962
+C	 0.951428617	-4.7460426751	 1.2497925499	-0.333684
+C	-0.276722546	-4.4762406953	 0.4145237622	-0.148485
+C	 0.0588630332	-3.5516227944	-0.7938790828	-0.072044
+O	 1.4646152868	-3.2551082816	-0.795309658	-0.294288
+C	 0.5904702876	-2.5220656461	 0.0937442647	 0.349537
+C	 0.6530035619	-1.0315568068	 0.0246971038	-0.188717
+O	 1.8052380603	-0.5212962188	 0.6797432547	-0.415667
+H	-0.6480730752	-3.626716069	 3.28626239	 0.118846
+H	 0.4329235692	-2.2290476813	 3.1510352791	 0.13554
+H	-1.1705403948	-2.1863831596	 2.406031096	 0.115769
+H	 1.9202457203	-4.8484150328	 0.7778947597	 0.131071
+H	 0.7789032174	-5.4019391043	 2.0979671753	 0.108718
+H	-1.1941784659	-5.0439960526	 0.4989668507	 0.091617
+H	-0.4646942845	-3.4874713135	-1.7408394577	 0.10716
+H	 0.6104018042	-0.7240322125	-1.0307849886	 0.100189
+H	-0.2060761074	-0.5902348202	 0.5401582896	 0.115419
+H	 2.5707517988	-0.9268437848	 0.2575357955	 0.293706
+19
+0 5111	2.4726648	1.6072955	1.173345	1.4707	74.77	-0.22842	0.06225	0.29067	1092.4101	0.155126	-422.48453	-422.475699	-422.474755	-422.517852	33.533
+C	 2.5671138457	-3.4599884513	-0.330862009	-0.50281
+C	 1.2698698835	-3.5820983838	 0.3965473483	 0.36397
+O	 1.0978999863	-4.6551006384	 1.3399324783	-0.283699
+C	 0.1227078907	-4.4816391165	 0.2986757807	-0.061539
+C	-0.8648814377	-3.3448623239	 0.7052088687	-0.166589
+C	-0.4900013762	-2.744840548	 2.0343419496	-0.345612
+C	 0.32080526	-2.3918236348	 0.8081380233	 0.260544
+C	 0.4744627616	-1.0032160523	 0.2710396091	-0.173378
+O	 1.6018429233	-0.3283747192	 0.819951273	-0.41559
+H	 3.322881791	-2.9865591142	 0.3042817952	 0.139146
+H	 2.9256733045	-4.4488069251	-0.6283071747	 0.130768
+H	 2.4554026941	-2.8414255101	-1.2266041007	 0.129432
+H	-0.0830242476	-5.3319680302	-0.3410468539	 0.105291
+H	-1.8166224991	-3.1713853734	 0.2202228904	 0.096005
+H	-1.156467216	-1.9582508978	 2.3770267094	 0.108622
+H	-0.0699959024	-3.3710619359	 2.8107584093	 0.137941
+H	 0.6497815332	-1.0177476835	-0.8109276516	 0.107243
+H	-0.4573558771	-0.4390399954	 0.4390379566	 0.087846
+H	 1.518265042	-0.3707933462	 1.7786692082	 0.282407
+19
+0 5112	2.513638	1.5868699	1.2035387	1.0663	74.54	-0.22638	0.06067	0.28705	1096.9442	0.15464	-422.481697	-422.472839	-422.471894	-422.515091	33.842
+C	 1.2561717998	 0.9470287768	 0.4924268373	-0.378619
+C	 0.8268171195	-0.4803905731	 0.1241477389	-0.307541
+C	 1.5282902017	-0.9925408509	-1.0917242772	 0.369215
+O	 2.917089779	-1.3643447799	-1.0187317745	-0.29271
+C	 1.9630369262	-2.3099275415	-1.5438577598	-0.076114
+C	 1.645533942	-1.9652648688	-3.0312030743	-0.156062
+C	 2.4042451692	-0.7298085909	-3.4842140026	-0.352722
+C	 1.2072105018	-0.5873096397	-2.5876651803	 0.320947
+O	 0.0404881576	 0.070841871	-2.9298551051	-0.454999
+H	 0.7372124962	 1.2913135206	 1.3915802154	 0.115646
+H	 2.3329327967	 0.9922857613	 0.6797461304	 0.134643
+H	 1.0247808449	 1.6496845112	-0.3151243417	 0.108775
+H	 1.0312879571	-1.1622434383	 0.9569107697	 0.110803
+H	-0.2526141686	-0.5093188743	-0.0646501839	 0.116951
+H	 1.9196413986	-3.2851540488	-1.0730315229	 0.105177
+H	 1.1626681964	-2.6425229073	-3.722133549	 0.101072
+H	 3.4084221263	-0.5338022847	-3.1295553165	 0.133686
+H	 2.2033093227	-0.4604340029	-4.5169476277	 0.112257
+H	 0.2364765729	 1.0112350203	-3.0090405464	 0.289594
+19
+0 5113	2.5149869	1.5832417	1.1812426	3.3198	74.69	-0.24269	0.05019	0.29288	1111.8896	0.153804	-422.473078	-422.464106	-422.463162	-422.5066	33.613
+C	 1.24422499	-0.6161396344	 0.9580020344	-0.38077
+C	 1.0376395778	 0.2685517319	-0.2802069366	-0.314637
+C	 1.761466658	-0.2495815626	-1.4828368868	 0.394547
+O	 1.280157493	-1.4283823186	-2.134945661	-0.266478
+C	 1.4718561187	-0.2489897405	-2.9179728216	-0.128523
+C	 3.0091530218	-0.1212453844	-3.2442294348	-0.109984
+O	 3.6852777482	-1.227584567	-2.6437007796	-0.260196
+C	 3.3271670563	-0.1206113268	-1.8148314409	 0.369027
+C	 4.3740819092	 0.5597709246	-0.9967054093	-0.51441
+H	 0.8987530285	-1.6351199463	 0.7624197397	 0.140548
+H	 2.3005981193	-0.6690531019	 1.2403796458	 0.120707
+H	 0.6878118894	-0.2230257688	 1.8137468599	 0.115049
+H	-0.0296077701	 0.3289472432	-0.5211834648	 0.114821
+H	 1.3742915443	 1.2922798438	-0.0731021417	 0.1026
+H	 0.6342133778	 0.1397965855	-3.4847110796	 0.10877
+H	 3.473738988	 0.3757476342	-4.0874092547	 0.108049
+H	 4.6323905702	-0.0371446558	-0.1148571382	 0.136427
+H	 5.2823898431	 0.7031800157	-1.5882389355	 0.137982
+H	 4.0259361766	 1.5383670783	-0.6502132649	 0.126469
+19
+0 5114	2.5387848	1.6820586	1.2336072	0.8732	74.97	-0.2021	0.07269	0.27479	1063.6395	0.155164	-422.465501	-422.456814	-422.45587	-422.498359	33.573
+C	 1.4042128705	-0.0512551236	 0.0725660353	-0.262763
+O	 0.04503427	 0.2649989211	-0.2160881001	-0.282308
+C	-0.3919055094	 1.4025842589	 0.428645387	 0.354665
+C	-0.8026870123	 1.4632134481	 1.8739738902	-0.370087
+C	-1.8037729581	 1.7797984635	 0.7706987541	-0.153089
+C	-1.6155214017	 3.1706983374	 0.0925859455	-0.152439
+C	-0.4277055098	 3.9664954941	 0.6225661066	-0.346284
+C	-0.1813535484	 2.7967048479	-0.2584409313	 0.357373
+O	 0.5561448105	 2.897774977	-1.4197506111	-0.458262
+H	 1.546647738	-0.2399986758	 1.1446866925	 0.115386
+H	 1.6440335551	-0.9574054093	-0.4882681466	 0.125409
+H	 2.0757467631	 0.7582237609	-0.239295011	 0.12706
+H	-0.9577837064	 0.4816337122	 2.3143353631	 0.117238
+H	-0.4397923341	 2.2061447714	 2.5762720401	 0.113228
+H	-2.7018952348	 1.1888705798	 0.6476996836	 0.099999
+H	-2.3842911544	 3.6441237581	-0.5041486903	 0.09369
+H	-0.3019192628	 4.9145258298	 0.1062901264	 0.12134
+H	-0.1491723307	 4.0035823566	 1.6712887055	 0.109636
+H	 0.3213838258	 2.1383248219	-1.9676780995	 0.290208
+19
+0 5115	2.5437684	1.6490902	1.2101938	1.2052	75.07	-0.22634	0.06806	0.2944	1081.7273	0.154274	-422.466391	-422.457488	-422.456544	-422.499647	33.498
+C	 1.3878077444	 0.1387092401	-0.1281190206	-0.256579
+O	-0.0196939334	-0.0249535889	-0.0196333853	-0.277079
+C	-0.5589871879	 0.5743777891	 1.09460797	 0.37789
+C	-0.7298485627	 2.059928207	 1.262352221	-0.351276
+C	-1.9470933112	 1.1518936618	 1.2421342755	-0.197349
+C	-2.0949095136	 0.3736350918	 2.5851708303	-0.060802
+O	-1.0373313569	 0.7557491993	 3.4878279131	-0.285555
+C	-0.7616500566	-0.207392876	 2.4580807485	 0.346934
+C	-0.1712110218	-1.5314609115	 2.8082246052	-0.510247
+H	 1.9172602695	-0.3167775275	 0.7197240941	 0.112672
+H	 1.694754013	-0.3614900901	-1.0492643643	 0.127476
+H	 1.6620749223	 1.2004911328	-0.18134633	 0.116598
+H	-0.4349417565	 2.5712619039	 2.1698806576	 0.134047
+H	-0.5964158538	 2.616593754	 0.339463121	 0.114539
+H	-2.7279900952	 1.2323881909	 0.498515167	 0.103191
+H	-3.0091192504	-0.0086195553	 3.0240484277	 0.105394
+H	-0.6999866495	-1.9736349474	 3.6568823553	 0.133363
+H	-0.2387216678	-2.2106405784	 1.9530593344	 0.137943
+H	 0.8862486181	-1.4319815857	 3.0788834893	 0.128841
+19
+0 5116	2.4668102	1.6647058	1.1938167	2.0153	74.69	-0.20998	0.05783	0.26781	1056.6619	0.155949	-422.480885	-422.472243	-422.471299	-422.513804	33.631
+O	 1.6545748258	 0.5901117046	-0.0205460726	-0.421333
+C	 0.4269313199	 0.0466435223	 0.4495113713	-0.173571
+C	-0.6022688611	 1.1100673437	 0.7106289954	 0.270153
+C	-1.7554658928	 1.4798530639	-0.1777026836	-0.360566
+C	-2.0276939249	 0.9491397658	 1.2130347711	-0.116861
+C	-1.7492294434	 1.9522760357	 2.3677840702	-0.115377
+C	-1.2823694232	 3.3135322596	 1.885255919	-0.373454
+C	-0.3411201828	 2.1499421064	 1.8475949483	 0.342525
+O	 0.8809922872	 2.12984083	 2.518698742	-0.464391
+H	 2.0099175032	 1.0912862009	 0.7224059787	 0.279666
+H	 0.0689716305	-0.6429540744	-0.3223902857	 0.104631
+H	 0.5937629935	-0.5414637474	 1.3654414941	 0.092985
+H	-1.9747344071	 2.5009431269	-0.4696071984	 0.111343
+H	-1.9535055272	 0.7606939559	-0.9687043808	 0.113464
+H	-2.5638829089	 0.0218855849	 1.3714940945	 0.092231
+H	-2.1057875452	 1.8066445276	 3.3789710372	 0.098443
+H	-1.6773202886	 3.8091538673	 1.0044671412	 0.115129
+H	-1.0760848621	 3.9916534355	 2.7099911992	 0.112799
+H	 1.316416987	 2.9757979707	 2.369101039	 0.292183
+19
+0 5117	3.3589374	1.3896379	1.2721952	3.1114	73.84	-0.24066	0.07231	0.31297	1074.3584	0.157193	-422.501426	-422.493704	-422.49276	-422.533657	30.23
+C	 1.0443584284	 1.096335148	 0.3222824547	-0.379073
+C	 0.8057910492	-0.3957262387	 0.0494296186	-0.296875
+C	 1.4772706483	-0.8623011599	-1.2097425869	 0.442119
+O	 2.9082888405	-0.9764646859	-1.2145245725	-0.277649
+C	 2.1287949254	-2.1418533976	-1.4954383223	-0.062188
+C	 1.7654009995	-2.2869514102	-3.0029217686	 0.019982
+C	 0.2471840576	-1.9474568952	-2.9751764912	-0.236268
+C	 0.9057123133	-0.5774450807	-2.6400201302	-0.021481
+O	 2.0078504762	-0.9479897015	-3.5071026076	-0.2597
+H	 0.5599488705	 1.4048748786	 1.2531411732	 0.114199
+H	 2.1150740399	 1.3018959832	 0.408124085	 0.139774
+H	 0.6469058873	 1.7208131873	-0.4845573399	 0.117963
+H	 1.180282092	-0.9894125111	 0.8903538754	 0.110267
+H	-0.2711054476	-0.5958842092	-0.0265165067	 0.101236
+H	 2.2162885772	-2.9842471236	-0.817460554	 0.101074
+H	 2.2085882429	-3.0843455869	-3.5976880068	 0.088811
+H	-0.207413025	-1.9652601945	-3.9669314038	 0.113862
+H	-0.3906240935	-2.4289529516	-2.2276111382	 0.098492
+H	 0.4560383882	 0.3890516694	-2.8641968283	 0.085455
+19
+0 5118	3.2832936	1.4646818	1.3071701	2.4859	74.29	-0.23844	0.08802	0.32646000000000003	1043.4881	0.157541	-422.488468	-422.480795	-422.479851	-422.520528	30.196
+C	 1.4542337897	 0.1024285129	-0.0911551655	-0.253558
+O	 0.0562011425	-0.0282743726	 0.0944155398	-0.28115
+C	-0.4086806677	 0.5934023743	 1.2408371232	 0.477067
+C	-0.6231011181	 2.0868883994	 1.2713968487	-0.376494
+C	-1.8107670537	 1.1412492022	 1.3277292592	-0.138372
+C	-2.215622261	 0.4917638813	 2.6677723418	 0.066729
+C	-1.0248075945	 0.7196478629	 3.6263483473	-0.244159
+C	-0.405073536	-0.2142221483	 2.5635899856	-0.015191
+O	-1.7147446493	-0.8826678821	 2.4880235687	-0.296458
+H	 2.0226436548	-0.3553612794	 0.7312537776	 0.107158
+H	 1.7016551618	-0.4158635163	-1.0202280303	 0.128762
+H	 1.7540375035	 1.1566662719	-0.1750570854	 0.108671
+H	-0.3398128706	 2.7072426707	 2.1134335644	 0.113515
+H	-0.4897794703	 2.5711705494	 0.3080016212	 0.119448
+H	-2.4892543062	 1.0847044915	 0.4860414761	 0.108819
+H	-3.2583142575	 0.5435981732	 2.9787040839	 0.082019
+H	-0.6234191329	 1.716592709	 3.8096204043	 0.096724
+H	-1.1786159717	 0.1846597508	 4.5629128907	 0.116067
+H	 0.4277744773	-0.890394311	 2.7536437086	 0.080402
+19
+0 5119	3.1323536	1.4136527	1.254773	2.7848	73.8	-0.24413	0.07588	0.32001	1060.2809	0.15845	-422.507696	-422.500088	-422.499144	-422.539757	30.283
+O	 1.7043163798	 0.4387280547	-0.1426501958	-0.417212
+C	 0.460941454	 0.0952114932	 0.4579889508	-0.156591
+C	-0.4644182827	 1.2731133579	 0.5855407118	 0.334593
+C	-0.4798140017	 2.149762775	 1.8184924658	-0.370482
+C	-1.6865796986	 1.3051817844	 1.4871651856	-0.102162
+C	-2.7116351042	 1.8048779421	 0.447502976	 0.066031
+C	-2.0351530369	 2.9829765422	-0.2865629688	-0.249404
+C	-1.1426989818	 1.7954616333	-0.7041760387	 0.004333
+O	-2.3684411208	 0.9749238479	-0.7225826796	-0.302873
+H	 2.0994633892	 1.1334643374	 0.3947128644	 0.279055
+H	 0.0123009496	-0.6550461575	-0.2016051099	 0.124295
+H	 0.6072155164	-0.3759876974	 1.4434285072	 0.081134
+H	 0.1179753965	 1.7905070651	 2.6531546187	 0.110246
+H	-0.5104130494	 3.2304134761	 1.7528209222	 0.116901
+H	-1.9535568356	 0.4689080786	 2.1226885438	 0.097981
+H	-3.7692483482	 1.7834960442	 0.7077644629	 0.08168
+H	-2.6482060188	 3.3118935386	-1.1246484459	 0.116874
+H	-1.632048637	 3.8380403719	 0.2566284616	 0.096347
+H	-0.5673515298	 1.7574360922	-1.6279961522	 0.089254
+19
+0 5120	3.3083253	1.3863397	1.2694396	1.796	73.84	-0.25647	0.07317	0.32964	1058.5924	0.158548	-422.516563	-422.509048	-422.508104	-422.548597	29.985
+O	 1.1618671281	 0.6898242049	-0.6026438786	-0.416836
+C	 0.0380803836	 0.1641270679	 0.0884692439	-0.169513
+C	-1.2086473651	 0.2468155506	-0.7387899831	 0.411138
+O	-1.3265040849	-0.7417725003	-1.7922895026	-0.310865
+C	-2.3334790612	-0.6884660534	-0.7662339802	-0.031993
+C	-3.5161021959	 0.2691950982	-1.0386815412	-0.078691
+C	-3.1460917051	 1.4187212312	-0.0344511955	-0.223019
+C	-1.934609694	 1.585490609	-1.0204038529	-0.111335
+C	-2.941450181	 1.2034816839	-2.1396805426	-0.216343
+H	 1.2550950769	 0.1761107541	-1.412778305	 0.292454
+H	 0.203751165	-0.8791152503	 0.395180169	 0.094306
+H	-0.0706311948	 0.7712896765	 0.9939157861	 0.112931
+H	-2.4323628004	-1.5742741814	-0.1466711684	 0.099099
+H	-4.5159628196	-0.1595650686	-1.0968902051	 0.066969
+H	-3.845398431	 2.258292177	-0.0602449142	 0.100004
+H	-2.9288611509	 1.1405559314	 1.001883063	 0.092787
+H	-1.3246380803	 2.4865897342	-1.0582574955	 0.075733
+H	-3.6243737754	 2.0243626307	-2.3650493304	 0.095915
+H	-2.5551446439	 0.7514878045	-3.0509448269	 0.117258
+19
+0 5121	3.3299238	1.3631514	1.1866874	2.6549	74.64	-0.23908	0.05404	0.29312	1113.7343	0.156413	-422.487819	-422.479693	-422.478749	-422.520661	30.861
+C	 1.3134687768	 0.9929933089	 0.4336453896	-0.377678
+C	 0.8247065309	-0.4159865697	 0.06794167	-0.31647
+C	 1.4638123844	-0.9296139949	-1.1838279077	 0.432033
+O	 2.8389611498	-1.3302503854	-1.1295677212	-0.274386
+C	 1.8934547063	-2.2711007202	-1.6445510707	-0.08365
+C	 1.636301745	-1.9159570487	-3.1296285188	-0.12702
+C	 2.7570250995	-1.1355157646	-3.8565120191	-0.082253
+O	 2.2471461107	 0.1350904717	-3.3702724032	-0.2864
+C	 1.1782978028	-0.5146630043	-2.6696062006	 0.037366
+H	 0.8292339718	 1.3479556408	 1.3478758615	 0.113419
+H	 2.3951972939	 0.9946412817	 0.5937266832	 0.138482
+H	 1.0931817711	 1.7085957444	-0.3650397293	 0.126694
+H	 1.0432546827	-1.1147753295	 0.8834039293	 0.111226
+H	-0.264344374	-0.4131204821	-0.0672085974	 0.102623
+H	 1.8468636276	-3.240762446	-1.160419886	 0.104197
+H	 0.9971058587	-2.589010309	-3.6973036627	 0.086504
+H	 3.7784039999	-1.3245586018	-3.515254389	 0.117414
+H	 2.7051912665	-1.1838372214	-4.9501352381	 0.099334
+H	 0.1906912754	-0.0874962698	-2.8658425901	 0.078565
+19
+0 5122	3.4794884	1.3101233	1.1612966	3.021	74.37	-0.24066	0.05276	0.29342	1125.0418	0.156398	-422.487802	-422.479708	-422.478763	-422.520571	30.853
+C	 1.2393347248	 0.9843179561	 0.4630652698	-0.380965
+C	 0.8113111334	-0.4346139999	 0.062455173	-0.305891
+C	 1.5040262251	-0.9122563243	-1.1755780644	 0.421286
+O	 2.8767916033	-1.3054822359	-1.0812416917	-0.270699
+C	 1.9525119394	-2.2489548425	-1.6346148808	-0.086152
+C	 1.707314185	-1.8491426066	-3.1188241069	 0.097712
+O	 2.8374193691	-1.3277141194	-3.8312299009	-0.28499
+C	 2.5117107873	 0.0317574476	-3.4356664354	-0.084769
+C	 1.271503133	-0.4449482392	-2.6447483921	-0.177532
+H	 0.7172889106	 1.3080237203	 1.3679641011	 0.117133
+H	 2.3151999024	 1.022799192	 0.6564911596	 0.136766
+H	 1.0134665666	 1.7055011887	-0.3295595447	 0.119306
+H	 1.0318338428	-1.1371772988	 0.8737320119	 0.113981
+H	-0.2727692681	-0.4658240283	-0.1042265369	 0.103754
+H	 1.9106283519	-3.2259919373	-1.1640307696	 0.101521
+H	 1.0821216543	-2.5283921075	-3.704041921	 0.080668
+H	 3.3135115108	 0.49091786	-2.8509977912	 0.116146
+H	 2.2786778253	 0.6479947487	-4.3116852057	 0.098183
+H	 0.2950844431	-0.0245736937	-2.8787685143	 0.084541
+19
+0 5123	3.4509617	1.3381274	1.1920702	0.8022	74.75	-0.23618	0.06621	0.30239	1102.8678	0.156647	-422.476187	-422.468104	-422.46716	-422.50885	30.839
+C	 1.4409813388	-0.1911408584	 0.0877550414	-0.259244
+O	 0.0391375465	 0.0259986727	 0.0143753246	-0.283055
+C	-0.4565022798	 0.74752014	 1.0763037663	 0.431838
+C	-0.6514913155	 0.1721374503	 2.4458838636	-0.355635
+C	-1.8573820227	 0.6889974409	 1.6822268446	-0.167687
+C	-1.9420094095	 2.232494317	 1.6902947777	-0.064757
+C	-1.3467748035	 3.0162960311	 2.8799322469	-0.108621
+O	-0.0129902071	 2.9513971047	 2.3062911725	-0.297627
+C	-0.515717778	 2.297932009	 1.1152485752	 0.027201
+H	 1.7119852888	-0.7482500897	 0.9947142679	 0.114418
+H	 1.7186025832	-0.7744702357	-0.7927981606	 0.127024
+H	 1.9984883242	 0.75565711	 0.0803929517	 0.11785
+H	-0.5962283389	-0.9117349573	 2.4709626231	 0.116743
+H	-0.2684608595	 0.6694942957	 3.3301491234	 0.128129
+H	-2.6809983122	 0.0298676862	 1.4379076955	 0.099015
+H	-2.7974808148	 2.6579867759	 1.1688195021	 0.08369
+H	-1.692433817	 4.0546816669	 2.949046777	 0.103386
+H	-1.3993554915	 2.5518738836	 3.8712550618	 0.104376
+H	-0.2454428315	 2.8058322271	 0.1860293254	 0.082957
+19
+0 5124	3.1028981	1.4654984	1.1657806	2.5747	75.1	-0.24027	0.07276	0.31303000000000003	1093.9094	0.156885	-422.488828	-422.480688	-422.479744	-422.521661	30.687
+C	 1.5623786409	-0.2265398164	 0.1692898079	-0.259272
+O	 0.1694667259	-0.0150724817	 0.0027091338	-0.288656
+C	-0.3982515713	 0.7270569409	 1.0140354575	 0.462813
+C	-0.7373580454	 0.1405003112	 2.3583779981	-0.358381
+C	-1.8496014833	 0.6778826234	 1.4805022222	-0.173865
+C	-1.8695316149	 2.1948902957	 1.5732254588	 0.131601
+O	-2.3265443827	 2.8218694538	 0.3629233823	-0.293378
+C	-0.979022805	 2.9356648212	-0.148731022	-0.085374
+C	-0.3761613305	 2.252811003	 1.0927223636	-0.186024
+H	 1.7768789947	-0.7591753151	 1.1059590747	 0.113286
+H	 1.8957457128	-0.8332701562	-0.6752602282	 0.130059
+H	 2.1205802433	 0.7202794217	 0.1692570744	 0.111835
+H	-0.6875096932	-0.9430589783	 2.3923569797	 0.12107
+H	-0.4669634305	 0.635568807	 3.288837579	 0.104997
+H	-2.6643408785	 0.059095473	 1.1261778112	 0.105665
+H	-2.2686224681	 2.6735621122	 2.4720859794	 0.077805
+H	-0.8422191544	 2.4059391568	-1.0984002691	 0.114161
+H	-0.6924946137	 3.9869389717	-0.272887015	 0.098577
+H	 0.4393668837	 2.756107856	 1.6139569719	 0.073081
+19
+0 5125	3.3238177	1.2918087	1.141146	2.5614	74.51	-0.24319	0.06105	0.30424	1125.0275	0.157535	-422.492018	-422.484003	-422.483058	-422.524699	30.89
+O	 1.118020792	 0.8861012547	 0.2007590374	-0.412504
+C	 0.1752594901	-0.1440382248	 0.4657775681	-0.181246
+C	-1.2367688354	 0.2942049264	 0.2188644727	 0.33342
+C	-2.0794292612	 0.998673474	 1.2478667707	-0.353704
+C	-2.5778188974	-0.3059539606	 0.6871933064	-0.14258
+C	-3.1686734824	-0.160885944	-0.7348477093	-0.066333
+C	-3.8241315144	 1.1766301899	-1.1323132462	-0.109287
+O	-2.5279443721	 1.7624298218	-1.4322841393	-0.29832
+C	-1.8560710404	 0.502402174	-1.1861825935	 0.048439
+H	 0.8279057359	 1.6698258174	 0.6797873112	 0.28399
+H	 0.4512430012	-0.9658438852	-0.2054410824	 0.106959
+H	 0.2658304504	-0.5246923888	 1.4971342264	 0.083008
+H	-1.7063206816	 0.9310157008	 2.2658817869	 0.111251
+H	-2.554594421	 1.9428126276	 1.0066387818	 0.133638
+H	-2.7413121363	-1.163016573	 1.3298167263	 0.092341
+H	-3.5448250301	-1.0788630184	-1.1826703305	 0.081646
+H	-4.4470252014	 1.1206558358	-2.0335090566	 0.103712
+H	-4.3636278447	 1.7297886246	-0.3547005013	 0.103509
+H	-1.2475186413	 0.170338778	-2.0307231789	 0.082062
+19
+0 5126	2.9841309	1.3952101	1.1124707	1.9542	74.61	-0.24494	0.06474	0.30968	1118.1791	0.157731	-422.504455	-422.496415	-422.49547	-422.537186	30.785
+O	 1.4859885511	 1.0147820218	-0.1643236341	-0.413963
+C	 0.4601787646	 0.2069985805	 0.4008606486	-0.183425
+C	-0.9093949343	 0.771339672	 0.1660279618	 0.346758
+C	-1.5133906081	 1.820159086	 1.0707864217	-0.357318
+C	-2.2332055383	 0.5098962063	 0.9080453551	-0.139342
+C	-2.9868683033	 0.5208166935	-0.4118715304	 0.124806
+O	-3.0921686259	-0.7815319523	-1.0138301315	-0.294758
+C	-1.9004236618	-0.5704885185	-1.80227014	-0.08859
+C	-1.6468604261	 0.811973303	-1.1743261811	-0.16133
+H	 1.3835834287	 1.9011444028	 0.1984124885	 0.281527
+H	 0.5674445558	-0.771971343	-0.0789820447	 0.113034
+H	 0.6137434671	 0.0547177476	 1.4817666423	 0.086968
+H	-1.0163810094	 1.9530676729	 2.0273457905	 0.115075
+H	-1.9321741418	 2.7359391923	 0.6589203335	 0.11007
+H	-2.4308060693	-0.1581782058	 1.7379041852	 0.098846
+H	-3.9169482932	 1.091191253	-0.4927272514	 0.078167
+H	-1.1405047128	-1.3423753541	-1.6299164851	 0.103531
+H	-2.1356513025	-0.5387916083	-2.8733648344	 0.102991
+H	-1.4670868605	 1.6511107502	-1.8470171745	 0.076952
+19
+0 5127	3.3770716	1.3164042	1.1658249	1.7369	74.36	-0.25381	0.05952	0.31333	1113.6839	0.157074	-422.495671	-422.487585	-422.486641	-422.528502	31.115
+O	 1.2752794224	 0.5935182846	-0.7478775202	-0.413937
+C	 0.1088652044	 0.1255896088	-0.0875673286	-0.184383
+C	-0.7912429275	-0.6220141611	-1.0188083855	 0.388261
+O	-1.4949839948	 0.180629098	-1.9904974633	-0.287726
+C	-2.2609182896	-0.6976948731	-1.1544875417	-0.066093
+C	-2.1806551169	-2.1224406832	-1.7536022213	-0.053905
+C	-2.0468807243	-2.2267350192	-3.3017779826	-0.224209
+C	-0.4919314861	-2.1437946215	-3.1731025389	-0.224816
+C	-0.6229611382	-2.0400347442	-1.6260445073	-0.094857
+H	 0.9776050499	 1.1532259091	-1.4738627118	 0.293486
+H	 0.4573947323	-0.5353588056	 0.7128324616	 0.113106
+H	-0.4579168396	 0.9489578139	 0.3733907032	 0.096627
+H	-3.0592631601	-0.2398344309	-0.5788468533	 0.100408
+H	-2.7584410293	-2.8777250579	-1.2207880301	 0.072441
+H	-2.4030001776	-3.1807229414	-3.697323512	 0.09736
+H	-2.5139072621	-1.4144667648	-3.8610696878	 0.109689
+H	 0.0229158897	-3.0510598392	-3.497127389	 0.097676
+H	-0.0272307485	-1.2822304538	-3.654971711	 0.107356
+H	-0.0643708841	-2.7380268382	-1.0022180305	 0.073514
+19
+0 5128	2.9180173	1.2104794	1.0134981	1.891	76.8	-0.2366	0.00485	0.24145	1240.5838	0.155946	-422.5536	-422.544724	-422.54378	-422.587072	33.339
+C	 1.3455796904	 0.8061030652	 0.3509193555	-0.486189
+C	-0.0487484188	 0.2719566043	 0.2856485988	 0.312683
+C	-1.1557477538	 0.9314021042	-0.0817233021	-0.191662
+C	-2.3605838134	 0.0700666813	 0.0791531691	-0.071025
+O	-2.5922831839	-0.3596950412	 1.4471559426	-0.302979
+C	-1.8903164137	-1.2429834132	 0.5686046865	 0.372633
+C	-2.5685176925	-2.5601560669	 0.2777474548	-0.166108
+O	-2.0542029382	-3.1845776889	-0.8896798332	-0.408097
+C	-0.3710868593	-1.1582694478	 0.689835482	-0.373705
+H	 1.7265387517	 0.7890234556	 1.3799541881	 0.132703
+H	 2.0331576273	 0.1925830718	-0.2449967415	 0.127095
+H	 1.4001065048	 1.8356651033	-0.0126872449	 0.125784
+H	-1.1949951987	 1.9622666489	-0.4129516171	 0.094356
+H	-3.2648816206	 0.2101287931	-0.5072737391	 0.089151
+H	-2.383862247	-3.2664052457	 1.0950375618	 0.116907
+H	-3.6542242965	-2.3959529916	 0.2238060812	 0.100825
+H	-2.2390401718	-2.6037092278	-1.6352620153	 0.284871
+H	-0.0365026666	-1.380078685	 1.7108148545	 0.119609
+H	 0.1078147207	-1.8892022897	 0.0261863383	 0.123148
+19
+0 5129	2.6302258	1.5562549	1.1762056	1.655	75.25	-0.2468	-0.00223	0.24456999999999998	1091.3537	0.156629	-422.550389	-422.541743	-422.540799	-422.583566	32.803
+C	 0.7613153483	-0.2070400397	-0.8778402148	-0.405252
+C	 0.921403789	 0.4264778671	 0.5132522663	-0.091082
+C	 1.6559276049	 1.7556865246	 0.4997929233	-0.083295
+C	 2.7210772506	 1.7680024599	 1.3045730626	-0.093234
+C	 2.8836917463	 0.4328142865	 1.9531225663	-0.077749
+O	 3.1133166134	-0.6395292911	 1.0018857077	-0.311332
+C	 1.7723784576	-0.4109178202	 1.4804773384	 0.373142
+C	 1.1909663979	-1.5732527021	 2.2393853699	-0.157933
+O	 0.8828361641	-2.6587641769	 1.3754070056	-0.413209
+H	 0.2346169806	-1.1611997505	-0.7997360633	 0.134523
+H	 0.1966018226	 0.4508366999	-1.5458536525	 0.108931
+H	 1.7445740758	-0.3870746662	-1.3208571737	 0.131649
+H	-0.0785995795	 0.5598958998	 0.9514895143	 0.084608
+H	 1.3436926717	 2.5726267131	-0.1425235734	 0.101653
+H	 3.4025924039	 2.5950686976	 1.4592909293	 0.104578
+H	 3.3777416653	 0.3030894012	 2.9118741375	 0.095816
+H	 1.8929822527	-1.8784645449	 3.0292733953	 0.093587
+H	 0.2476725336	-1.2860543244	 2.7159070494	 0.110329
+H	 1.705100261	-2.8957706536	 0.9309187516	 0.294268
+19
+0 5130	2.3347518	1.5009771	1.2863223	2.1153	74.74	-0.24892	-0.01111	0.23781	1100.7225	0.156524	-422.551544	-422.542891	-422.541947	-422.584807	32.824
+C	 1.3515602871	 1.0749656661	 0.1110510063	-0.386491
+C	 1.1626774638	-0.4383401864	-0.0537176743	-0.293902
+C	 1.8839966774	-1.0141702142	-1.2437551033	 0.380298
+O	 1.3385484941	-2.2244217405	-1.8044334995	-0.319099
+C	 1.4085120014	-1.0267897903	-2.6324708832	-0.069682
+C	 2.6108134671	-1.0132464754	-3.5242462155	-0.079179
+C	 3.7229782253	-1.0455049123	-2.7881068468	-0.124395
+C	 3.4248679873	-1.0764769552	-1.2947842752	 0.040787
+O	 3.9239193112	-2.2385552966	-0.6529637581	-0.435998
+H	 0.8042503221	 1.4370043008	 0.9860765058	 0.120734
+H	 2.4041328085	 1.3411881437	 0.2502667435	 0.12443
+H	 0.98305453	 1.6188174027	-0.7648952563	 0.118962
+H	 1.5181554175	-0.9594397553	 0.8447189246	 0.116049
+H	 0.0992224734	-0.6788119835	-0.15554608	 0.110458
+H	 0.4448593611	-0.6340634059	-2.9424742923	 0.098995
+H	 2.5521707854	-1.0184109504	-4.605945239	 0.108347
+H	 4.7377422365	-1.1198435338	-3.1617533508	 0.110435
+H	 3.8825331228	-0.2300400866	-0.7707206257	 0.09055
+H	 3.3988582981	-2.9683419569	-1.0094469504	 0.2887
+19
+0 5131	2.3063578	1.780763	1.2702402	2.1771	76.3	-0.2315	0.0011	0.2326	1049.8113	0.156584	-422.534927	-422.526315	-422.525371	-422.567899	32.925
+C	 1.4148407057	-0.1908535693	 0.0857349919	-0.256025
+O	 0.040762386	 0.159805517	 0.0116917774	-0.287505
+C	-0.4880740746	 0.8325503484	 1.0999241038	 0.397743
+C	-1.8538105585	 0.3871184759	 1.5139215415	-0.317046
+C	-0.6787439557	 0.1835697551	 2.4707180892	-0.171126
+C	-0.5016476392	 1.2903766957	 3.4483184745	-0.062424
+C	-0.2875667602	 2.4657610051	 2.8453544877	-0.157186
+C	-0.1517399912	 2.325158737	 1.3454953314	 0.021506
+O	 1.1391501795	 2.721904736	 0.8877003417	-0.424679
+H	 1.6624398517	-0.6326068212	 1.0610660987	 0.10058
+H	 1.5870431612	-0.9392841789	-0.6922888997	 0.122531
+H	 2.0612917295	 0.6729654399	-0.0951767898	 0.126155
+H	-2.6060096068	 1.1211455967	 1.7850121042	 0.112374
+H	-2.2195247911	-0.4915276656	 0.9930091907	 0.121192
+H	-0.3618670072	-0.828041926	 2.6961782409	 0.093181
+H	-0.6013378925	 1.1476425107	 4.5189832801	 0.103459
+H	-0.1777899298	 3.4256341944	 3.3363076169	 0.101596
+H	-0.850095839	 2.9637972736	 0.7933229234	 0.099427
+H	 1.7759334524	 2.4169931954	 1.5437170555	 0.276248
+19
+0 5132	2.5720597	1.6354402	1.1556319	2.168	76.27	-0.23545	0.01534	0.25079	1080.8649	0.157737	-422.554943	-422.546621	-422.545676	-422.587428	32.589
+O	 1.2643313775	 0.7827409749	-0.1871734172	-0.43003
+C	-0.0670370666	 0.2686876175	-0.0468724496	-0.200386
+C	-0.6902249163	 0.2282052037	-1.4135095105	 0.329487
+C	-0.7335117899	-1.0380614169	-2.2226074396	-0.323079
+C	-2.022560153	-0.4552824612	-1.6625701296	-0.137108
+C	-2.7659455322	 0.4617449251	-2.5727808132	-0.071389
+C	-2.0491674257	 1.5421351152	-2.8918893032	-0.097302
+C	-0.6990568015	 1.5505651815	-2.2139174416	 0.028795
+O	-0.5642159407	 2.700202481	-1.3904266416	-0.44753
+H	 1.6472704852	 0.8638011324	 0.6920262939	 0.290731
+H	-0.0561117549	-0.7374336125	 0.3972430298	 0.090232
+H	-0.6563729873	 0.9262296572	 0.6066722274	 0.107021
+H	-0.5808443421	-0.9802743063	-3.2960924078	 0.112539
+H	-0.3426199138	-1.938133944	-1.7564181713	 0.106845
+H	-2.548032417	-1.0051450984	-0.8880289784	 0.084768
+H	-3.755275505	 0.2312425471	-2.952447825	 0.098049
+H	-2.3477779167	 2.3280819862	-3.5752191399	 0.099179
+H	 0.1075778435	 1.5396683546	-2.9648540686	 0.075343
+H	 0.3135298666	 2.6287263431	-0.992088254	 0.283837
+19
+0 5133	2.5429297	1.5763893	1.2410481	1.1947	76.43	-0.23697	0.01067	0.24764	1072.6348	0.157488	-422.541383	-422.533029	-422.532085	-422.574248	32.032
+O	 1.5628817927	 0.5801791822	-0.4023368641	-0.419795
+C	 0.1963143947	 0.4089442829	-0.0665129586	-0.129253
+C	-0.6934204162	 0.4267778493	-1.2888008548	 0.392098
+C	-2.1776688241	 0.6304408641	-1.1449944702	-0.341291
+C	-1.3078996889	 1.692136941	-1.8148272187	-0.129239
+C	-1.3303941859	 1.8642129229	-3.2873950768	-0.070613
+C	-0.5930051226	 1.0721483529	-4.0618198198	-0.080867
+C	 0.2504938101	-0.017796856	-3.4546648635	-0.136202
+O	-0.2817367984	-0.5355537599	-2.234850068	-0.315238
+H	 1.7941336762	-0.1744234498	-0.9549038285	 0.288426
+H	 0.040655229	-0.5361563532	 0.4776701208	 0.092884
+H	-0.0723039679	 1.2287778084	 0.6075016015	 0.104945
+H	-2.8083132603	 0.0294802106	-1.7896990112	 0.122605
+H	-2.5835587857	 0.8441177098	-0.1611622587	 0.110311
+H	-1.1360501754	 2.5969230985	-1.2371222431	 0.100008
+H	-1.9519815761	 2.650616982	-3.7062857232	 0.094955
+H	-0.5656194374	 1.1864223938	-5.1411134027	 0.095603
+H	 0.3169456432	-0.8784695834	-4.1278480854	 0.114723
+H	 1.276654383	 0.3528564938	-3.2945198851	 0.105942
+19
+0 5134	3.3980233	1.2827613	1.0739069	1.6613	75.9	-0.24111	-0.00193	0.23918	1153.8729	0.157935	-422.557303	-422.549045	-422.5481	-422.590124	31.754
+O	 1.2188737007	 0.6827828205	 0.2727585559	-0.417343
+C	 0.1732033435	-0.1776446185	-0.1510555394	-0.135621
+C	-0.9825049233	 0.6107883833	-0.7282709065	 0.359985
+C	-0.7260540132	 1.3560710183	-2.0237271153	-0.281822
+C	-1.9147621951	 2.2382468762	-2.4514972222	-0.268628
+C	-3.2333439647	 1.5195175655	-2.3255886965	-0.083941
+C	-3.4435414114	 0.5949452177	-1.386800832	-0.037916
+C	-2.3752816667	 0.234558854	-0.4215061417	-0.056814
+O	-1.7207415316	 1.3302433498	 0.2734446662	-0.307174
+H	 0.8331861856	 1.2768942889	 0.927201008	 0.293152
+H	 0.6072883023	-0.837077733	-0.9103135095	 0.110512
+H	-0.1909788386	-0.8035891708	 0.6769468141	 0.090593
+H	 0.1826735757	 1.9570532855	-1.9219119275	 0.119492
+H	-0.5251949809	 0.6056041115	-2.7997471056	 0.106147
+H	-1.9390197642	 3.139097094	-1.8258385413	 0.132155
+H	-1.7643465523	 2.5830235886	-3.4797963475	 0.102714
+H	-4.0306057359	 1.789556906	-3.0125401496	 0.096149
+H	-4.3974250595	 0.0847937318	-1.2972773211	 0.090646
+H	-2.5566948204	-0.6279134992	 0.2174842116	 0.087713
+19
+0 5135	3.370593	1.1671819	0.9791421	3.147	75.18	-0.24612	-0.01921	0.22691	1246.9777	0.155791	-422.581506	-422.572797	-422.571853	-422.615244	32.486
+C	 1.3276172831	 1.6460780499	-2.1652516911	-0.383144
+C	 1.6648985429	 0.6569913987	-1.041672355	-0.277759
+C	 2.0327353204	-0.7120934537	-1.5556459535	 0.418515
+C	 3.289719077	-0.9414729178	-2.3736542422	-0.39615
+C	 3.5578279509	-2.4544873255	-2.2829486922	 0.395411
+O	 4.3696103292	-3.0554564273	-2.9327396775	-0.298115
+C	 2.6399145787	-3.072180841	-1.2119469926	-0.355314
+C	 1.6564614449	-1.975910617	-0.8882067577	-0.02799
+O	 0.9411130084	-1.5177223626	-2.0446926605	-0.304424
+H	 1.0225981635	 2.6122115955	-1.7534583738	 0.117229
+H	 2.1874880678	 1.8203730495	-2.8200689622	 0.120374
+H	 0.5074749037	 1.2628828148	-2.7795000177	 0.136808
+H	 2.4953869139	 1.04355275	-0.4371513544	 0.100812
+H	 0.8042086296	 0.5526830361	-0.3719079763	 0.108181
+H	 3.1879617638	-0.6430764444	-3.4205493858	 0.14358
+H	 4.1508412297	-0.4014538853	-1.959683208	 0.12886
+H	 2.1696608228	-3.982207632	-1.5950051689	 0.145043
+H	 3.2429600011	-3.3536191089	-0.339428055	 0.131087
+H	 1.0871307887	-1.989606879	 0.0381855544	 0.096995
+19
+0 5136	2.5848415	1.4203979	1.144451	4.1502	74.99	-0.26614	0.01172	0.27786	1145.9496	0.156877	-422.596269	-422.587812	-422.586868	-422.629473	31.958
+C	 2.0469159024	 0.3001022408	 0.6180025462	-0.385381
+C	 1.4218793266	 0.5044937929	-0.7663477365	-0.264574
+C	 1.8555731713	-0.5241303602	-1.775417845	 0.442224
+C	 1.0464105174	-0.9318166553	-2.9722268293	-0.356966
+C	 1.3600968086	-1.9453151674	-1.8820780428	-0.111178
+C	 2.5891966987	-2.8018679557	-2.0736468913	-0.374311
+C	 3.7409834858	-1.7965022593	-2.189736717	 0.404378
+O	 4.892020793	-2.0151834135	-2.4234568816	-0.327497
+O	 3.2649368168	-0.5304276142	-1.9915328024	-0.253121
+H	 1.761338536	-0.6683470344	 1.0422071757	 0.113938
+H	 3.1379511819	 0.3340786132	 0.5587681432	 0.140296
+H	 1.7195258596	 1.0802714145	 1.3109232906	 0.116883
+H	 0.3283907336	 0.4687582526	-0.7004875328	 0.102899
+H	 1.6770359323	 1.50054939	-1.1485725331	 0.116951
+H	 0.0244562365	-0.5736639045	-3.0328849639	 0.121731
+H	 1.5563152973	-1.0166527698	-3.9271201979	 0.12612
+H	 0.5522886095	-2.3000511567	-1.2533990515	 0.10175
+H	 2.7837640111	-3.4534336554	-1.2155998709	 0.142706
+H	 2.5776576215	-3.4362847173	-2.9646115297	 0.14315
+19
+0 5137	3.4187447	1.1557753	0.9763975	4.383	74.9	-0.26779	0.01058	0.27836999999999995	1246.5021	0.156938	-422.592556	-422.584108	-422.583164	-422.625782	31.893
+C	 1.8163582137	 1.6784659188	 0.3620230999	-0.37616
+C	 1.2510184145	 1.035023629	-0.9103627296	-0.280983
+C	 2.1040688653	-0.0979026028	-1.4387268487	 0.329598
+C	 1.9456629783	-1.5015110057	-0.8697465929	-0.358669
+C	 1.5472009221	-1.2103901566	-2.2876154817	 0.044083
+O	 2.4778717566	-1.5750609861	-3.288084118	-0.21846
+C	 3.6135178298	-0.8169639428	-3.193497684	 0.427634
+O	 4.5512013177	-0.9821578859	-3.9143306851	-0.327065
+C	 3.4569696698	 0.2014443001	-2.0580684669	-0.449735
+H	 1.9148140791	 0.9410597908	 1.1653853027	 0.121664
+H	 2.8068947977	 2.1101121334	 0.1841867623	 0.122314
+H	 1.163814932	 2.480967323	 0.7183410853	 0.117679
+H	 0.240620254	 0.6574049648	-0.7098564142	 0.099308
+H	 1.1424864541	 1.798099575	-1.6926617928	 0.102905
+H	 2.8251972946	-2.1183054396	-0.7123155398	 0.126076
+H	 1.1495824763	-1.6515159082	-0.1479695208	 0.121733
+H	 0.5227274238	-1.2658113256	-2.6341027791	 0.114937
+H	 4.3091096967	 0.1096060612	-1.3789866702	 0.143851
+H	 3.4954882339	 1.2077654073	-2.4900385464	 0.139292
+19
+0 5138	3.0330747	1.2399282	1.0939896	2.5268	75.14	-0.23974	-0.02001	0.21973	1171.3122	0.156007	-422.562449	-422.553852	-422.552908	-422.595837	32.376
+C	 1.3837097474	-0.1735187162	 0.1214200873	-0.258721
+O	-0.005587748	 0.0802549285	 0.0322275164	-0.288142
+C	-0.5393638001	 0.8047469435	 1.0920747216	 0.448588
+C	-1.9182754771	 0.4083683556	 1.5174348479	-0.341104
+C	-0.755449708	 0.1776331682	 2.4664691184	-0.121296
+C	-0.5221351311	 1.2271488304	 3.5323264184	-0.328838
+C	-0.393524837	 2.5568265925	 2.7678275643	 0.381964
+O	-0.4668484477	 3.6515205716	 3.259462175	-0.30265
+C	-0.1582896257	 2.2637667142	 1.2780893882	-0.406266
+H	 1.6429410809	-0.6823317915	 1.0604437603	 0.10823
+H	 1.6393439079	-0.8223717955	-0.7191020846	 0.132337
+H	 1.98282271	 0.7450421449	 0.0454077052	 0.111217
+H	-2.6496577621	 1.1789796868	 1.7469529727	 0.115848
+H	-2.3220472278	-0.4702000327	 1.0281490969	 0.127568
+H	-0.4540895019	-0.8473842813	 2.6469631055	 0.095932
+H	-1.3111425215	 1.3079387273	 4.2869445387	 0.131299
+H	 0.4191228466	 1.054025946	 4.07055539	 0.129449
+H	-0.7194407427	 2.9661490696	 0.6554611224	 0.134676
+H	 0.9070720078	 2.425586648	 1.0690130653	 0.129911
+19
+0 5139	2.8534354	1.240951	1.0695454	3.8969	75.41	-0.23599	-0.01152	0.22447	1183.4834	0.156737	-422.579887	-422.571278	-422.570334	-422.613261	32.554
+O	-0.4568456274	-0.4241585287	 0.4252393956	-0.421846
+C	 0.1186507421	 0.8241470653	 0.0567825855	-0.179326
+C	-0.4518812717	 1.2318934417	-1.2733521006	 0.363333
+C	 0.372814838	 2.0884111402	-2.2030165252	-0.355273
+C	 0.0881895566	 0.6530890589	-2.5752274094	-0.066704
+C	-1.06276804	 0.3965962393	-3.5244130092	-0.33137
+C	-2.281304282	 1.0712192223	-2.8716702824	 0.378643
+O	-3.3156973283	 1.3312468312	-3.4277811931	-0.306996
+C	-1.9593434587	 1.3616783536	-1.4000886738	-0.391843
+H	-0.2428418498	-0.5952755865	 1.3469100199	 0.289769
+H	-0.1017485129	 1.595421449	 0.8123923026	 0.089688
+H	 1.215134891	 0.7477177877	-0.0223933957	 0.083718
+H	-0.1238442252	 2.8829732771	-2.7539120163	 0.11613
+H	 1.384562577	 2.3331986175	-1.8965667691	 0.112968
+H	 0.9099291559	-0.0533542623	-2.5452812503	 0.091247
+H	-0.9220445996	 0.7773168976	-4.540667365	 0.127566
+H	-1.2765524071	-0.6768727076	-3.6088222603	 0.133236
+H	-2.3679172537	 2.3347218543	-1.109821029	 0.121354
+H	-2.4492622843	 0.5981445794	-0.7831698144	 0.145704
+19
+0 5140	2.8221825	1.2308665	1.0074652	2.384	77.28	-0.23655	0.00555	0.2421	1245.7591	0.155794	-422.552939	-422.543973	-422.543029	-422.586604	33.437
+C	 1.3493574163	 0.8019675778	 0.0334496058	-0.485408
+C	-0.042822037	 0.2740019921	 0.1658788129	 0.306041
+C	-1.1886872177	 0.9356401698	-0.0350278016	-0.23347
+C	-2.3704973952	 0.0838185539	 0.3001068615	 0.360166
+C	-3.7261757009	 0.3102920391	-0.318524801	-0.165303
+O	-3.6609840818	 0.4105258305	-1.73230726	-0.408271
+O	-2.3884308056	-0.3419244858	 1.6873041771	-0.301544
+C	-1.8250167258	-1.2260602256	 0.7152516149	-0.042757
+C	-0.3077516105	-1.1584683401	 0.6119176325	-0.334106
+H	 1.8707362998	 0.7866619631	 0.999088419	 0.131781
+H	 1.9452513659	 0.1850440355	-0.6513170323	 0.12428
+H	 1.355738658	 1.8301623005	-0.3376414327	 0.128264
+H	-1.2762985295	 1.9634988233	-0.36575601	 0.098078
+H	-4.4120265335	-0.4805492576	 0.0187062502	 0.098483
+H	-4.1359114158	 1.2661054038	 0.0267039681	 0.118746
+H	-3.2740732446	-0.4056264611	-2.0658372532	 0.283505
+H	-2.3542497338	-2.1671599641	 0.5816986415	 0.090177
+H	 0.1742042005	-1.3860889666	 1.5708662191	 0.12409
+H	 0.0765290912	-1.8854902583	-0.1162900717	 0.107247
+19
+0 5141	3.055701	1.4458809	1.154751	0.3071	73.95	-0.25836	0.07491	0.33326999999999996	1113.6536	0.156895	-422.537717	-422.529586	-422.528641	-422.570443	31.061
+C	 1.1258081524	-0.2293090069	 1.0431590109	-0.385319
+C	 0.8770594477	 0.2171495191	-0.4036446423	-0.29075
+C	 1.8109171166	-0.4381853164	-1.3867963369	 0.416577
+O	 1.5856164159	-1.8337292656	-1.6736465887	-0.307122
+C	 1.451768108	-0.882814967	-2.7426996321	-0.020882
+C	 2.6513454358	-0.8429776555	-3.6807809661	-0.280323
+C	 3.7765240345	-0.341515873	-2.7840832838	 0.059093
+O	 3.5748805914	 0.9932713741	-2.2948677226	-0.260281
+C	 3.2855301527	-0.1095980061	-1.4214250676	-0.053073
+H	 1.019866507	-1.3143676572	 1.1349022322	 0.134664
+H	 2.1311251177	 0.0419787574	 1.3821045064	 0.118393
+H	 0.4104324036	 0.2417362715	 1.7232168398	 0.11663
+H	-0.1527562254	-0.0207475501	-0.6907381759	 0.106593
+H	 0.9933003702	 1.3044499266	-0.4916258098	 0.115615
+H	 0.443079714	-0.7666590503	-3.1309794603	 0.096499
+H	 2.8729896128	-1.8378942309	-4.0809826315	 0.117478
+H	 2.4817419818	-0.1643305052	-4.5232104288	 0.117155
+H	 4.8101133219	-0.6055645713	-2.9894901817	 0.099691
+H	 3.9114708712	-0.1925032131	-0.5368623911	 0.099361
+19
+0 5142	3.122511	1.4330934	1.2287446	0.7768	74.3	-0.24663	0.08156	0.32819	1080.7588	0.15697	-422.516411	-422.508417	-422.507473	-422.548682	31.03
+C	 1.3690300269	-0.1320086291	-0.0170667272	-0.256552
+O	-0.0195224166	 0.1520673101	 0.0162968996	-0.288933
+C	-0.4353024737	 0.7618854809	 1.192133826	 0.419915
+C	-0.5333630044	-0.0004148247	 2.490454392	-0.348027
+C	-1.792399159	 0.4610020967	 1.7778265836	-0.122468
+C	-2.4662728423	 1.7771508372	 2.1802574159	-0.266201
+C	-1.4424817254	 2.8697257682	 1.8947711723	 0.049095
+O	-0.2229258591	 2.7672369041	 2.6477600557	-0.25461
+C	-0.2375726928	 2.266617613	 1.3048175373	-0.046645
+H	 1.6602412687	-0.814380259	 0.7930165167	 0.113416
+H	 1.5727784219	-0.6070522743	-0.979348747	 0.126847
+H	 1.9770680587	 0.7801571347	 0.0647033514	 0.110535
+H	-0.3315140569	-1.0651419926	 2.437774076	 0.111706
+H	-0.2240206794	 0.4945351846	 3.402638263	 0.133692
+H	-2.4031506589	-0.3125119951	 1.3266926123	 0.098036
+H	-3.3521906057	 1.9495363784	 1.5583952167	 0.109536
+H	-2.792932445	 1.7924381663	 3.2257404341	 0.116705
+H	-1.7687906265	 3.8874847276	 1.6922105816	 0.096335
+H	 0.4123545294	 2.7715683828	 0.595324	 0.097618
+19
+0 5143	3.1057401	1.4460838	1.2228169	1.9427	74.2	-0.22863	0.08022	0.30885	1079.3443	0.156531	-422.499811	-422.491769	-422.490825	-422.53212	31.375
+C	 1.379783123	 0.0555021356	-0.1554237912	-0.252963
+O	-0.0106202892	-0.0814273141	 0.081753635	-0.288148
+C	-0.4475831618	 0.591045203	 1.214489446	 0.403253
+C	-0.6230909798	 2.0983544558	 1.177300239	-0.391732
+C	-1.8264573941	 1.1758956767	 1.2664194547	 0.027303
+O	-2.408258862	 0.9189039356	 2.5200425365	-0.26285
+C	-1.5605842712	 0.0903828154	 3.2844617298	 0.108214
+C	-0.2898327517	 0.670805317	 3.8466313026	-0.334389
+C	-0.2617119599	-0.1152290955	 2.5499226994	-0.142877
+H	 1.9771190119	-0.3711411289	 0.6628395548	 0.110943
+H	 1.5997823744	-0.4889337145	-1.0763488318	 0.127624
+H	 1.6654587259	 1.1091365245	-0.2805128478	 0.111604
+H	-0.3469125627	 2.7175846076	 2.0220626472	 0.118873
+H	-0.474472389	 2.5601715027	 0.2061326317	 0.118814
+H	-2.5284585879	 1.1291283026	 0.4412458847	 0.112099
+H	-2.0993967668	-0.6855052116	 3.8172014363	 0.101963
+H	-0.1468100025	 1.744312643	 3.8306939598	 0.12074
+H	 0.1231106064	 0.1799703727	 4.7222147468	 0.113559
+H	 0.236882137	-1.0757185876	 2.5075935865	 0.09797
+19
+0 5144	3.0101035	1.3853255	1.1801807	1.9545	73.88	-0.2573	0.07588	0.33318	1098.1785	0.157848	-422.534268	-422.526318	-422.525374	-422.566643	31.076
+O	 1.643588284	 0.3942590808	-0.134114817	-0.416063
+C	 0.3765519265	 0.0687217743	 0.4210988585	-0.163944
+C	-0.4991248013	 1.2794609077	 0.6089165593	 0.30548
+C	-0.4143248506	 2.1229705381	 1.8652585108	-0.334771
+C	-1.6675629056	 1.3344103617	 1.5806670288	-0.107441
+C	-2.8589214122	 2.0081714564	 0.8892571046	-0.265747
+C	-2.3488410068	 2.45263119	-0.4756217292	 0.04023
+O	-1.2762928427	 3.4047998394	-0.4320105854	-0.257483
+C	-0.9504235205	 2.0216723147	-0.6351827206	-0.03024
+H	 2.0284082927	 1.083341423	 0.4183861451	 0.283697
+H	-0.0771786462	-0.6324582392	-0.289363815	 0.108621
+H	 0.4785463625	-0.4627063333	 1.3810253652	 0.085106
+H	 0.2179002613	 1.7546692843	 2.6680995429	 0.103454
+H	-0.4353175115	 3.1990338201	 1.7480397817	 0.13711
+H	-1.8762556094	 0.4883877513	 2.2275170697	 0.087308
+H	-3.6684887968	 1.2827398858	 0.7483987905	 0.107145
+H	-3.2698065948	 2.8469792993	 1.4615707122	 0.117659
+H	-3.0417191889	 2.5812079594	-1.3044882761	 0.095471
+H	-0.4863031499	 1.7861003163	-1.5883845859	 0.104409
+19
+0 5145	2.9881625	1.3919578	1.1713861	0.7441	73.81	-0.23523	0.07544	0.31067	1098.8915	0.15745	-422.517252	-422.509247	-422.508303	-422.549688	31.421
+O	 1.4095307092	 0.5583235103	-0.1695230398	-0.414095
+C	 0.0333560684	 0.2788515119	 0.0426996058	-0.159315
+C	-0.7969082037	 0.4599990971	-1.202639088	 0.282543
+C	-0.9869132691	-0.7050026437	-2.1676927752	-0.389102
+C	-2.1588333011	-0.1626453458	-1.3886593401	 0.055236
+O	-3.0293151552	 0.758569769	-1.9967629233	-0.261298
+C	-2.3848484637	 2.002903547	-2.1534488096	 0.105208
+C	-1.2978319016	 2.1283454461	-3.1871413066	-0.336639
+C	-0.9426916051	 1.8745479152	-1.7337210805	-0.132517
+H	 1.7000757972	 0.018479565	-0.9125825685	 0.283279
+H	-0.1136718818	-0.7385329872	 0.4396995082	 0.084086
+H	-0.2892099718	 0.9813414384	 0.8197539341	 0.112794
+H	-0.9394859029	-0.5443559479	-3.2373197244	 0.121669
+H	-0.6052136631	-1.6703501818	-1.8458896155	 0.110021
+H	-2.6532900214	-0.7824768633	-0.6472001901	 0.1015
+H	-3.0303799828	 2.8420414202	-1.9175820605	 0.100516
+H	-1.1788969651	 1.345411417	-3.9257048728	 0.119368
+H	-1.0972649119	 3.1264158487	-3.5635169717	 0.114904
+H	-0.4247505744	 2.6488249039	-1.1812440213	 0.101842
+19
+0 5146	3.2622462	1.4027927	1.157456	2.1909	73.71	-0.26043	0.08717	0.3476	1094.8326	0.158221	-422.542969	-422.535179	-422.534235	-422.575008	30.802
+O	 1.2622649392	-0.2349816612	 1.3301395511	-0.418173
+C	 0.4400562096	 0.2517946061	 0.2930322558	-0.159367
+C	-0.8154419736	 0.8986266074	 0.834396636	 0.385934
+O	-1.3483681053	 0.2378641624	 2.0058173899	-0.319969
+C	-0.8887113048	 1.6015894201	 2.1239418099	-0.018232
+C	-2.026050259	 2.6137873882	 2.1243445738	-0.260254
+C	-2.6239853102	 2.5078550036	 0.7188968385	-0.024606
+C	-1.7390251542	 2.8999583318	-0.4375666891	-0.29411
+C	-1.8847634136	 1.4421141235	-0.0658964413	-0.128289
+H	 0.6581332257	-0.658832547	 1.9549340244	 0.291738
+H	 1.0209400679	 0.9843447508	-0.2784667831	 0.116448
+H	 0.1507681027	-0.5513037872	-0.4068198126	 0.091348
+H	-0.0165172534	 1.7319044493	 2.7575363296	 0.104387
+H	-2.7602209816	 2.356175819	 2.8949199393	 0.116475
+H	-1.6552130157	 3.6211741174	 2.3469100602	 0.104468
+H	-3.6951392453	 2.6191168008	 0.6010785357	 0.090385
+H	-2.2191044568	 3.2291735999	-1.3523017422	 0.116445
+H	-0.7976171576	 3.3988372892	-0.224830848	 0.112812
+H	-2.4023175641	 0.7669547158	-0.738732288	 0.092562
+19
+0 5147	2.2262873	1.739396	1.1857355	3.104	75.18	-0.24682	0.07352	0.32034	1101.8996	0.155227	-422.497283	-422.488617	-422.487673	-422.530583	32.498
+C	 0.9866863415	-0.3135324147	 1.0642422933	-0.381651
+C	 0.7178526216	 0.3021782911	-0.3179041006	-0.322114
+C	 1.3833896411	-0.472834885	-1.4108777038	 0.360156
+O	 2.8212412968	-0.3889350343	-1.5227311221	-0.291076
+C	 2.0411294079	-0.1076891128	-2.6865601667	-0.065342
+C	 1.7270343001	-1.4665011488	-3.3349266496	-0.358424
+C	 0.9992328012	-1.8186350673	-2.0133063313	 0.413299
+C	-0.2342340705	-2.5840667181	-1.834679221	-0.271498
+O	 1.0274443754	-3.0575145507	-1.3360556499	-0.263943
+H	 0.6593191968	-1.3568498632	 1.1015673884	 0.134149
+H	 2.0571914464	-0.2957595804	 1.2865962433	 0.138532
+H	 0.4626387705	 0.2411042731	 1.8477360927	 0.111688
+H	-0.360887472	 0.3371424725	-0.5141701308	 0.10205
+H	 1.0824859249	 1.3347256374	-0.3485811178	 0.112752
+H	 2.1565558331	 0.8630063895	-3.1539579501	 0.10819
+H	 1.0567293781	-1.4221598336	-4.1969710601	 0.111024
+H	 2.6082905931	-2.0666926436	-3.5694979595	 0.12668
+H	-0.956854983	-2.2958484347	-1.0722652713	 0.117269
+H	-0.6448150031	-3.1426560363	-2.6749545231	 0.118258
+19
+0 5148	2.2141191	1.8057029	1.2176076	2.2478	75.79	-0.24027	0.081	0.32127	1079.1278	0.155351	-422.482775	-422.47408	-422.473135	-422.516362	32.394
+C	 1.5078926125	-0.1276010835	 0.1287612528	-0.260216
+O	 0.0988873795	 0.0252478988	 0.0459214276	-0.269981
+C	-0.4580097367	 0.6697185664	 1.1204822948	 0.380125
+C	-0.7503900026	-0.0159202531	 2.43566117	-0.347783
+C	-1.8890137105	 0.5614700119	 1.6237552681	-0.147121
+C	-1.959307919	 2.0850498161	 1.8298069003	-0.321995
+C	-0.5042175422	 2.1808466566	 1.3272955245	 0.379906
+C	 0.5513362172	 3.1630616102	 1.58170292	-0.277142
+O	-0.1281945759	 3.0898004736	 0.3143366221	-0.276778
+H	 1.8016037308	-0.6380874054	 1.0563876362	 0.109825
+H	 1.8107286814	-0.734088465	-0.7275077888	 0.13002
+H	 2.0217406603	 0.8406983877	 0.0742143363	 0.123663
+H	-0.6652076708	-1.0971782049	 2.3908017625	 0.119627
+H	-0.4670431023	 0.4253837961	 3.3888199098	 0.105597
+H	-2.6905666379	-0.0584778332	 1.2445053193	 0.102398
+H	-2.6344937573	 2.5831154769	 1.1296731569	 0.125194
+H	-2.1638640988	 2.4319836439	 2.847646765	 0.100537
+H	 0.3332379624	 4.0530369426	 2.1710228694	 0.114776
+H	 1.5975544501	 2.8606115442	 1.570157793	 0.109347
+19
+0 5149	2.3650919	1.6791024	1.203452	2.0138	75.83	-0.22637	0.07632	0.30269	1092.3307	0.154772	-422.471813	-422.463077	-422.462133	-422.505152	32.872
+C	 1.48994301	 0.2918277864	-0.1963194878	-0.255483
+O	 0.1441672558	-0.0894548504	 0.0563833622	-0.27229
+C	-0.4268482278	 0.5495544988	 1.1281348178	 0.277066
+C	-0.7784789265	 2.0275471923	 1.1523131687	-0.365537
+C	-1.8484418661	 0.9845187058	 1.3513527785	 0.008975
+O	-1.8537040099	 0.5150738917	 2.7061163917	-0.320442
+C	-0.5236533198	-0.0097786296	 2.5334382136	 0.406595
+C	 0.4489346973	-0.1292350065	 3.6558203622	-0.345792
+C	-0.1540585052	-1.3716295592	 3.0047971593	-0.339847
+H	 2.1566504583	 0.0090542097	 0.6295446046	 0.11406
+H	 1.8021169935	-0.2361031454	-1.0997566254	 0.130987
+H	 1.5743985216	 1.3741145212	-0.35975411	 0.116937
+H	-0.4858653483	 2.6717798149	 1.9765397175	 0.117373
+H	-0.7843412532	 2.4881230162	 0.1683990141	 0.118008
+H	-2.755431305	 0.8824817772	 0.7693533824	 0.117848
+H	 1.4926957618	 0.1064717321	 3.4749174163	 0.114229
+H	 0.0906625929	 0.1315258116	 4.645886301	 0.126709
+H	 0.4701099726	-1.9786181307	 2.3575132835	 0.123431
+H	-0.9001950821	-1.9197141662	 3.5694259498	 0.127174
+19
+0 5150	2.1716152	1.7603188	1.1899231	2.4624	75.2	-0.26197	0.06381	0.32577999999999996	1085.5022	0.156229	-422.502717	-422.494032	-422.493087	-422.536369	32.543
+O	 1.2668733546	 0.8278415848	-0.1275996871	-0.426129
+C	 0.3899578409	-0.1218681345	 0.4716778416	-0.171155
+C	-0.8552873845	 0.5243229282	 0.9971499447	 0.256241
+C	-1.9961730956	 0.9560886978	 0.1040715322	-0.320558
+C	-2.295287501	 0.0266468804	 1.2407902074	-0.124518
+C	-2.392703598	 0.8385417572	 2.5446448467	-0.338665
+C	-0.9393459698	 1.2888228005	 2.2965987564	 0.399943
+C	 0.1136116797	 1.5305684383	 3.2811382795	-0.277832
+O	-0.4163707655	 2.6010594021	 2.4782835285	-0.281612
+H	 1.2036435217	 1.6437557937	 0.3805494076	 0.292524
+H	 0.1450714545	-0.8558899416	-0.3043899367	 0.104534
+H	 0.9027752435	-0.6641082594	 1.2828120674	 0.084291
+H	-2.3597460386	 1.9804403254	 0.1250781334	 0.119419
+H	-1.9769	 0.5094646121	-0.885069263	 0.120398
+H	-2.6836103086	-0.9732161604	 1.0963513015	 0.097994
+H	-3.1478679394	 1.6301171733	 2.5533180283	 0.114455
+H	-2.4966241559	 0.2315935585	 3.4472138954	 0.112868
+H	-0.1391469458	 1.5724119137	 4.3400966719	 0.118826
+H	 1.1457063878	 1.2557242698	 3.0662227841	 0.118974
+19
+0 5151	2.2897434	1.6045622	1.1520754	0.7563	75.38	-0.22919	0.04641	0.2756	1114.7355	0.155343	-422.488408	-422.479605	-422.478661	-422.522128	33.153
+O	 1.1932427153	 0.8853967865	-0.3130856006	-0.410005
+C	 0.4052508978	 0.0033765711	 0.4803605679	-0.185786
+C	-0.8690808966	 0.6133870495	 0.981182852	 0.151202
+C	-2.0864381574	 0.874891425	 0.1068385573	-0.34305
+C	-2.2163666857	 0.003878793	 1.314610374	 0.045179
+O	-2.3701187003	 0.7890512475	 2.5028875735	-0.319511
+C	-1.0704709452	 1.3636691935	 2.2834076536	 0.427906
+C	-0.7456817747	 2.7554644829	 2.7072948406	-0.336575
+C	-0.1194535605	 1.5568024272	 3.415974036	-0.349991
+H	 1.4492767954	 1.6320483859	 0.2370365753	 0.281981
+H	 0.1722364315	-0.8428904461	-0.1743288883	 0.112362
+H	 0.9860304063	-0.3924185003	 1.32806357	 0.094567
+H	-2.5633170615	 1.8504700849	 0.099919085	 0.118746
+H	-2.066368299	 0.3599200143	-0.8490280857	 0.118696
+H	-2.5681769786	-1.0207460154	 1.3376156626	 0.109616
+H	-0.1225468939	 3.3694237165	 2.0646748734	 0.111683
+H	-1.5163262431	 3.2995775719	 3.2422781797	 0.12987
+H	 0.9346260483	 1.3514824066	 3.2566105079	 0.112409
+H	-0.4814665081	 1.3169851256	 4.4096543458	 0.130703
+19
+0 5152	2.1535614	1.7652957	1.1816508	3.0781	75.23	-0.24962	0.04154	0.29116000000000003	1093.4024	0.1556	-422.495882	-422.487094	-422.48615	-422.529425	32.999
+O	 0.8942549637	 1.0243243613	 0.1917226844	-0.40951
+C	 0.2465479533	-0.230464638	 0.3721520681	-0.212899
+C	-1.0801804811	-0.1069103835	 1.0531959903	 0.352504
+O	-2.2362714424	 0.2411187419	 0.2681744299	-0.284768
+C	-2.2841989336	-0.9610305165	 1.0427268175	-0.054721
+C	-2.6473205965	-0.5696738992	 2.486882641	-0.347871
+C	-1.3908154483	 0.3367429126	 2.4785527307	 0.323603
+C	-1.1900620442	 1.6972683881	 3.0683077252	-0.31694
+C	-0.4024384454	 0.5146896056	 3.5934770783	-0.342726
+H	 1.2447049136	 1.305657379	 1.0419889946	 0.288282
+H	 0.0896411808	-0.6436937857	-0.6283766468	 0.126733
+H	 0.8844477322	-0.930946297	 0.9316648958	 0.097238
+H	-2.4896485488	-1.886613182	 0.5166282698	 0.103981
+H	-3.6161885529	-0.0765561639	 2.6002095841	 0.113244
+H	-2.5673297563	-1.4013212325	 3.1926631364	 0.107425
+H	-0.6759713015	 2.4400472679	 2.4674595294	 0.119712
+H	-1.9761752837	 2.1005201256	 3.6981125401	 0.118024
+H	 0.6582648255	 0.4553129623	 3.3661250937	 0.101426
+H	-0.6584963044	 0.1209051738	 4.5719020175	 0.117263
+19
+0 5153	1.8427813	1.7946113	1.0838569	2.4934	75.4	-0.24794	-0.03822	0.20972	1162.9293	0.154707	-422.520107	-422.510979	-422.510035	-422.55447	33.055
+C	 1.1267610805	 1.2411005006	-0.2537938635	-0.383016
+C	 0.9443065703	-0.2824879868	-0.1896307609	-0.299653
+C	 1.7163251831	-1.0028901899	-1.2581645919	 0.277694
+C	 3.1755898632	-1.4234049033	-1.1480835503	-0.354715
+C	 2.128437608	-2.4431767041	-1.4655080353	 0.040038
+O	 1.8092375153	-2.4228571797	-2.8647949805	-0.304042
+C	 1.2986612214	-1.0759772437	-2.7405584648	-0.001294
+C	 1.9168591886	-0.0857583092	-3.7045213242	 0.12776
+O	 1.5262041138	 1.0486026389	-3.8182739081	-0.24165
+H	 0.5180805267	 1.7399321727	 0.5061049146	 0.111538
+H	 2.1729335024	 1.5164183904	-0.0855334586	 0.118653
+H	 0.8373133754	 1.6263541114	-1.2360606187	 0.14548
+H	 1.2595964591	-0.65669558	 0.7921531128	 0.100709
+H	-0.1208904839	-0.5308292127	-0.2860213417	 0.103366
+H	 3.9199728647	-1.1591676098	-1.8930310264	 0.119384
+H	 3.5423414919	-1.4404835156	-0.1257144516	 0.120618
+H	 1.9272197017	-3.3544722754	-0.9147129882	 0.111876
+H	 0.2068359846	-1.0574530162	-2.8540454359	 0.110373
+H	 2.774134243	-0.4803275873	-4.2926557167	 0.096882
+19
+0 5154	1.9481929	1.6343827	1.0458904	3.1767	76.12	-0.23958	-0.02431	0.21527	1192.8745	0.154806	-422.533057	-422.52386	-422.522916	-422.567696	33.107
+C	 1.8457345348	 1.4400535944	-0.1704997318	-0.389604
+C	 1.3306241447	-0.0064457538	-0.1607645334	-0.302376
+C	 1.8471325589	-0.8077456147	-1.3142792705	 0.410628
+O	 3.2165719166	-1.2402978164	-1.2940947584	-0.287512
+C	 2.1945327507	-2.2274994467	-1.4965241818	-0.051131
+C	 1.8337998798	-2.194906155	-2.9847430273	-0.275907
+C	 1.4551304556	-0.6730182588	-2.8192348459	-0.151212
+C	 2.2461105598	 0.3308133155	-3.613429797	 0.160358
+O	 1.757759244	 1.1933861465	-4.3016720117	-0.265163
+H	 1.4524024456	 1.9967154036	 0.6845828156	 0.118917
+H	 2.9381505742	 1.4613493184	-0.1182682321	 0.135561
+H	 1.5399853767	 1.9655101122	-1.0809608366	 0.135573
+H	 1.6319978921	-0.5083088263	 0.7655016301	 0.115311
+H	 0.2341130755	-0.0148919304	-0.1896577493	 0.108742
+H	 2.1718418348	-3.0587266037	-0.8011047147	 0.109626
+H	 2.6576296087	-2.4261181837	-3.6649307382	 0.119662
+H	 0.9626458002	-2.7984082145	-3.2467206401	 0.120041
+H	 0.3879449652	-0.4913012813	-2.961966057	 0.095622
+H	 3.3474803921	 0.2241225548	-3.5129081801	 0.092865
+19
+0 5155	2.0845232	1.6541198	1.0459843	2.715	76.57	-0.2434	-0.02086	0.22254000000000002	1171.2022	0.155092	-422.520015	-422.5109	-422.509956	-422.55452	32.862
+C	 1.5099633946	-0.0941936807	 0.0728548507	-0.265022
+O	 0.0976686208	 0.0584740607	-0.0055876373	-0.279971
+C	-0.4388165542	 0.7459156499	 1.0578488311	 0.447883
+C	-0.6750197013	 0.1137383918	 2.4013028062	-0.342042
+C	-1.8486956267	 0.6531221618	 1.6109407886	-0.135488
+C	-1.9000910958	 2.1755652351	 1.7595357167	-0.253963
+C	-0.44491315	 2.290279788	 1.1668985673	-0.175536
+C	-0.4337057419	 2.9529423875	-0.1856143645	 0.174356
+O	 0.3832459055	 3.7615622698	-0.5451223322	-0.265292
+H	 1.800941344	-0.6304491892	 0.9859481116	 0.114364
+H	 1.8134098541	-0.6742251915	-0.800777542	 0.132549
+H	 2.0211944244	 0.8772874487	 0.0518679431	 0.127993
+H	-0.5888067942	-0.968218358	 2.3895877463	 0.121994
+H	-0.3608068767	 0.5896825916	 3.3278120664	 0.107786
+H	-2.6681601974	 0.0166175618	 1.302998705	 0.101918
+H	-2.6435803857	 2.652087427	 1.1148418681	 0.113941
+H	-2.0185688228	 2.5591382857	 2.7768972821	 0.11015
+H	 0.3255008185	 2.7429145045	 1.7963007988	 0.085983
+H	-1.2613043153	 2.6312958357	-0.8592908759	 0.078398
+19
+0 5156	2.2449272	1.4543062	1.09647	2.4764	75.75	-0.23994	-0.01971	0.22022999999999998	1160.3443	0.155976	-422.536381	-422.527359	-422.526414	-422.570637	32.88
+O	-0.6669827177	-1.7325351306	-0.5506948336	-0.411705
+C	-0.1211304783	-0.5042974617	-0.0795247125	-0.186271
+C	-0.5030835186	 0.6524958885	-0.9501155495	 0.322153
+C	 0.2870798918	 1.0765419533	-2.1683982832	-0.342366
+C	 0.0552487016	 2.0729704945	-1.0686320367	-0.110479
+C	-1.3611522475	 2.6577229405	-1.1730726964	-0.254084
+C	-1.9475142789	 1.2204992011	-1.0486826574	-0.134281
+C	-2.7470874272	 0.6457049227	-2.184217988	 0.137459
+O	-2.9711343318	 1.2105812198	-3.2273337078	-0.25405
+H	-0.3369964984	-1.8670790549	-1.4457878641	 0.283715
+H	-0.5275923741	-0.3795044929	 0.9306474103	 0.110641
+H	 0.9757495997	-0.555859002	 0.0124199412	 0.090141
+H	 1.2926607485	 0.6690771443	-2.2196794123	 0.112365
+H	-0.1964348804	 1.2030539737	-3.1336261153	 0.133033
+H	 0.8771298514	 2.5129974	-0.5167630646	 0.093332
+H	-1.6355343612	 3.288019319	-0.325365012	 0.107901
+H	-1.5969745138	 3.1799018214	-2.1032804366	 0.124016
+H	-2.4859806385	 1.0538037983	-0.1095453044	 0.092975
+H	-3.0866888366	-0.401258745	-2.012952837	 0.085504
+19
+0 5157	2.2257418	1.6265817	1.2024688	1.8819	76.47	-0.23548	0.00996	0.24544	1109.1272	0.156122	-422.552801	-422.543964	-422.54302	-422.586	33.275
+C	 1.2446041288	 0.8121028124	 0.2173425173	-0.515229
+C	-0.0738442074	 0.110448697	 0.295528057	 0.300196
+C	-0.3151473752	-1.162411569	 0.6285061714	-0.182738
+C	-1.78667716	-1.5199266234	 0.5835293493	-0.291583
+C	-2.4446279686	-0.1977114524	 0.2133161667	-0.032084
+O	-2.2530278443	 0.846618017	 1.1719811637	-0.300139
+C	-1.380827214	 0.8086743114	 0.0158789004	 0.281392
+C	-1.4774876863	 2.0042318177	-0.8978249129	-0.174452
+O	-0.8806864431	 1.7627944965	-2.1642542421	-0.408009
+H	 1.299455071	 1.6384870764	 0.9374439501	 0.129992
+H	 2.071710463	 0.1280855418	 0.4247314172	 0.121351
+H	 1.3901615625	 1.2456929803	-0.7781500409	 0.147993
+H	 0.4428827456	-1.8728017825	 0.9414805854	 0.092798
+H	-2.0041003438	-2.2922531227	-0.1661882215	 0.10779
+H	-2.1557905982	-1.8980752035	 1.5448306176	 0.125021
+H	-3.3969411447	-0.1723706873	-0.3120092368	 0.089943
+H	-2.5311468658	 2.3068191864	-0.9803841824	 0.102888
+H	-0.9282072534	 2.8500907704	-0.4701693658	 0.11962
+H	-1.3232169162	 1.0026947335	-2.5562302235	 0.285251
+19
+0 5158	3.356016	1.2837135	1.0536523	1.8505	75.93	-0.24446	0.0251	0.26956	1166.4528	0.157638	-422.558931	-422.550587	-422.549643	-422.592031	31.749
+O	 1.1776955445	 0.6713157564	 0.3109218565	-0.417894
+C	 0.135998328	-0.1685572934	-0.159635933	-0.129769
+C	-1.0040775582	 0.6445563672	-0.7349492458	 0.344957
+C	-0.6798183744	 1.4994712584	-1.9451346658	-0.31862
+C	-1.8873860303	 2.0603084482	-2.641375102	-0.043187
+C	-3.1421663912	 1.7007990735	-2.3848659483	-0.061619
+C	-3.5338093221	 0.6792635894	-1.353328511	-0.291025
+C	-2.3968564808	 0.2665140894	-0.4470175969	-0.002419
+O	-1.7631351404	 1.3174490396	 0.2941123608	-0.305206
+H	 0.7808474898	 1.2520102229	 0.9708503025	 0.293412
+H	 0.5822131878	-0.8088519976	-0.9283076929	 0.10862
+H	-0.2506055482	-0.8164901464	 0.6411544702	 0.090024
+H	-0.0038040009	 2.30581573	-1.6336451778	 0.124939
+H	-0.0937277944	 0.894131259	-2.6523722094	 0.113462
+H	-1.690902635	 2.8028223992	-3.4107613008	 0.088293
+H	-3.9560515591	 2.1536059659	-2.9451325447	 0.088082
+H	-4.3591551462	 1.0599099911	-0.7353613249	 0.120486
+H	-3.9303007406	-0.2213227454	-1.8455337232	 0.11412
+H	-2.5747408783	-0.6369893976	 0.1389850564	 0.083343
+19
+0 5159	2.2893065	1.6278013	1.272348	4.2418	74.73	-0.26081	0.01275	0.27355999999999997	1084.5534	0.157683	-422.597039	-422.588578	-422.587634	-422.630183	31.625
+C	 1.3828514035	 0.9548873822	 0.2665029099	-0.389758
+C	 1.0989730172	-0.5021966446	-0.1170882637	-0.275177
+C	 1.8191523464	-0.9480469523	-1.3687906048	 0.193529
+C	 1.2512866443	-2.0178873528	-2.288844463	-0.338387
+C	 1.4453505185	-0.6224196935	-2.7987224255	-0.111418
+C	 2.7546391801	-0.3709642602	-3.5241722287	-0.101412
+O	 3.8003812753	-0.7701892435	-2.6212745331	-0.232357
+C	 3.3214151974	-0.9561043492	-1.3538244671	 0.416568
+O	 4.0484994517	-1.0963916857	-0.4119217597	-0.354869
+H	 0.8407847062	 1.2289739087	 1.1762728665	 0.116619
+H	 2.4498334442	 1.1053718814	 0.453761293	 0.143328
+H	 1.0746010257	 1.6431555727	-0.527995844	 0.109832
+H	 1.4044615543	-1.1624901838	 0.7027062139	 0.124589
+H	 0.0220643276	-0.6511713308	-0.2574504692	 0.095012
+H	 1.9033153045	-2.8079337345	-2.6491297593	 0.13105
+H	 0.2370898074	-2.3329255181	-2.0686711683	 0.123838
+H	 0.5881942707	-0.0050362457	-3.0383182934	 0.104543
+H	 2.8657181885	-0.955220176	-4.4429900851	 0.123426
+H	 2.8891264966	 0.6900573255	-3.7633841282	 0.121045
+19
+0 5160	2.3003014	1.5877083	1.2414934	2.0534	75.11	-0.23643	-0.0215	0.21493	1098.1815	0.156267	-422.563562	-422.554832	-422.553887	-422.597106	32.39
+C	 2.3234740055	-1.1023650036	 1.3084730496	-0.388658
+C	 1.7530199499	-0.2536027719	 0.1656054906	-0.27749
+C	 2.1174414234	-0.768095095	-1.2089534046	 0.18979
+C	 1.1758679147	-0.5749163177	-2.4133329096	-0.374228
+C	 1.5102994397	-1.9466714769	-1.9362110578	 0.074477
+O	 2.4840528838	-2.661517762	-2.6626988797	-0.262423
+C	 3.7041601144	-1.935627757	-2.6501255602	-0.194519
+C	 3.557531442	-0.8121394358	-1.6123574194	 0.332111
+O	 4.4589825729	-0.1431297169	-1.1717521852	-0.327599
+H	 2.0271328236	-0.6934653838	 2.2789404495	 0.115989
+H	 1.9630060533	-2.1351122959	 1.2543498258	 0.114281
+H	 3.4161761988	-1.1208323984	 1.2722840175	 0.13984
+H	 0.6612103949	-0.2009977857	 0.2485061329	 0.096071
+H	 2.1228509614	 0.7750126537	 0.2527847558	 0.120421
+H	 0.1998126134	-0.1714565564	-2.1652361073	 0.127586
+H	 1.5804487997	-0.2350259653	-3.3608378111	 0.128194
+H	 0.762911442	-2.5963059556	-1.4957276647	 0.114957
+H	 4.5267014394	-2.6017984672	-2.3694364504	 0.14178
+H	 3.9340949473	-1.5131951686	-3.6386904916	 0.129419
+19
+0 5161	2.3869151	1.5696696	1.2026008	2.7214	74.74	-0.23867	-0.0271	0.21156999999999998	1113.7056	0.156427	-422.577952	-422.56922	-422.568276	-422.611546	32.33
+C	 1.9090155954	-0.1233985222	 1.2123828885	-0.392489
+C	 1.3364907811	 0.128954666	-0.1889938647	-0.293771
+C	 1.9542434696	-0.7497753992	-1.2398716076	 0.304206
+O	 1.936106467	-0.2877920637	-2.6156813682	-0.300055
+C	 3.201208999	-0.5015231943	-1.9925735533	-0.015585
+C	 3.8519436332	-1.8055301749	-2.4248987291	-0.250955
+C	 2.7414665388	-2.8643072754	-2.2385189509	-0.332351
+C	 1.7573935568	-2.2525346285	-1.2331615236	 0.381627
+O	 0.9897024814	-2.8513122844	-0.5225961552	-0.322106
+H	 1.7307491254	-1.155512297	 1.524706754	 0.144375
+H	 2.9879883561	 0.0626848362	 1.2409839977	 0.111604
+H	 1.4357972582	 0.5371744032	 1.9442564036	 0.119522
+H	 0.255675076	-0.0536336199	-0.1815564705	 0.122228
+H	 1.4840954884	 1.1718392295	-0.4879633184	 0.110754
+H	 3.7958414329	 0.3927973339	-1.8204172241	 0.101605
+H	 4.2213849619	-1.7489343053	-3.4528691573	 0.119226
+H	 4.7099236054	-2.0163272016	-1.7770453314	 0.114659
+H	 2.2037681262	-3.0533943331	-3.1728880776	 0.146374
+H	 3.102909307	-3.8255164992	-1.8688933718	 0.131133
+19
+0 5162	2.3511436	1.6727417	1.2545613	3.0879	75.46	-0.22706	-0.01472	0.21234	1074.6265	0.156765	-422.562069	-422.553481	-422.552536	-422.595205	32.186
+C	 1.4194683908	-0.1428283885	 0.0295695398	-0.262425
+O	 0.004035771	 0.0000989889	 0.0117981897	-0.280582
+C	-0.5113327413	 0.7241444098	 1.0645315359	 0.340732
+C	-1.9121286331	 0.36064181	 1.5020076181	-0.337318
+C	-0.7795281808	 0.1506439445	 2.4626792734	-0.113809
+C	-0.547811284	 1.2465408584	 3.5000094516	-0.226217
+C	-0.4889538879	 2.5677633559	 2.6982268542	-0.338825
+C	-0.1217835426	 2.1616278476	 1.2646495176	 0.342552
+O	 0.4582920501	 2.8472884545	 0.4584044078	-0.336052
+H	 1.7587617338	-0.620937429	 0.9596259514	 0.102098
+H	 1.6751672123	-0.7866285012	-0.8144182486	 0.129293
+H	 1.9202138815	 0.8236451906	-0.0861514088	 0.142193
+H	-2.6464341942	 1.1401940137	 1.6774305747	 0.119001
+H	-2.2954768329	-0.5215023212	 1.0017319212	 0.135579
+H	-0.4850781735	-0.8681303359	 2.6864278003	 0.101027
+H	-1.3255907764	 1.2567907396	 4.2707481352	 0.107172
+H	 0.4076853058	 1.0756919466	 4.0068311175	 0.111928
+H	-1.4552245789	 3.0856687556	 2.6803756836	 0.131754
+H	 0.2438139204	 3.2815588301	 3.0786595952	 0.131901
+19
+0 5163	2.4133326	1.5971104	1.2089055	3.355	75.14	-0.24428	-0.01964	0.22464	1088.355	0.157979	-422.58313	-422.574794	-422.57385	-422.616015	31.855
+O	-0.1591613822	-1.1557343777	 0.2326688742	-0.424195
+C	 0.1106570539	 0.224726969	 0.0957054821	-0.162774
+C	-0.5053911037	 0.81996077	-1.1525617841	 0.20981
+C	-0.0120221073	 2.1578741698	-1.6924806177	-0.336927
+C	 0.1490735214	 0.9317344462	-2.5281318868	-0.071267
+C	-0.909170799	 0.6896842759	-3.6057073976	-0.227927
+C	-2.2674384118	 0.8130302479	-2.8805159886	-0.339818
+C	-1.9452950059	 0.5205357541	-1.4118449138	 0.375986
+O	-2.6998286317	 0.0194749185	-0.6057371839	-0.357676
+H	-1.1179620559	-1.2270994047	 0.3246658695	 0.297314
+H	-0.244643975	 0.789249453	 0.9722644858	 0.098027
+H	 1.2003363979	 0.3343305413	 0.0592724046	 0.103789
+H	-0.7316149174	 2.9192010372	-1.9761230469	 0.118741
+H	 0.8711168887	 2.5483686789	-1.1966854577	 0.125162
+H	 1.145987928	 0.5326938652	-2.6791513091	 0.101417
+H	-0.8106910422	 1.3853004818	-4.4450368073	 0.107949
+H	-0.7934479418	-0.3226997438	-4.0056969373	 0.118608
+H	-2.6880913589	 1.8227816648	-2.9574052259	 0.130983
+H	-3.030767257	 0.1228027225	-3.2430852494	 0.132799
+19
+0 5164	3.2534111	1.3539828	1.1122617	1.5685	77.54	-0.23583	0.00725	0.24308000000000002	1140.9717	0.156376	-422.520418	-422.511878	-422.510933	-422.553479	32.096
+C	 1.4233825516	 0.1038450961	-0.1350673661	-0.249181
+O	 0.0501463474	-0.0995831135	 0.1395520937	-0.282375
+C	-0.4160902934	 0.5772798367	 1.276041883	 0.363433
+C	-0.6342095971	 2.0774188175	 1.1440060913	-0.361949
+C	-1.8050458934	 1.120057995	 1.1571479654	 0.024749
+O	-2.6234500432	 1.1273353567	 2.2903325994	-0.262285
+C	-2.4867160005	-0.004227541	 3.1393561214	-0.120335
+C	-1.0490336912	-0.3457212639	 3.4438618687	-0.074803
+C	-0.0777598787	-0.0430095755	 2.5863526346	-0.140382
+H	 2.0718845122	-0.3140866323	 0.6477246932	 0.109766
+H	 1.6364533874	-0.4126361867	-1.0738791906	 0.128243
+H	 1.6610648702	 1.17079267	-0.2494330718	 0.109146
+H	-0.4981120338	 2.6938028393	 2.0250575482	 0.123078
+H	-0.3724870816	 2.5359495853	 0.1962976777	 0.115201
+H	-2.327556924	 0.9394778857	 0.220001835	 0.101559
+H	-3.0240696203	 0.2538556574	 4.0575420849	 0.11722
+H	-2.9953693266	-0.8830894553	 2.7055691977	 0.106852
+H	-0.8428856959	-0.8447209733	 4.3864973657	 0.09843
+H	 0.962423511	-0.2689971183	 2.8020914886	 0.093632
+19
+0 5165	3.1694058	1.3050534	1.0731138	2.1131	77.33	-0.23304	0.01627	0.24931	1156.0434	0.157276	-422.536878	-422.528374	-422.52743	-422.569936	32.161
+O	 1.4481800549	 0.3819436534	-0.45811091	-0.419168
+C	 0.0882926485	 0.283802326	-0.0527899032	-0.15478
+C	-0.7787193725	 0.4673938129	-1.2772167741	 0.277805
+C	-1.012517641	-0.7530376987	-2.158360483	-0.328933
+C	-2.1269225638	-0.2011906241	-1.3091927645	 0.037922
+O	-3.1761505435	 0.4394747847	-1.9758849208	-0.260749
+C	-3.1971334534	 1.857385447	-1.864229239	-0.122713
+C	-1.8548689596	 2.4894605993	-2.1341876526	-0.084023
+C	-0.7297525672	 1.8217743335	-1.8909946547	-0.139096
+H	 1.9953806453	 0.4095224496	 0.3323055451	 0.287949
+H	-0.1196035541	-0.6973889137	 0.403796867	 0.082398
+H	-0.1572774315	 1.0562585226	 0.6928859368	 0.08997
+H	-1.1021480831	-0.5883610322	-3.2254228721	 0.123061
+H	-0.5424408115	-1.6862786306	-1.8662462816	 0.111361
+H	-2.4501155171	-0.7690092795	-0.4371176065	 0.083571
+H	-3.9378851592	 2.1940958752	-2.5967171336	 0.116349
+H	-3.5688732959	 2.1629245212	-0.87018248	 0.099018
+H	-1.8459568263	 3.4982120874	-2.5365402474	 0.094412
+H	 0.2497921509	 2.2448781461	-2.089633376	 0.105647
+19
+0 5166	3.471784	1.300645	1.0724304	2.2387	76.24	-0.24571	-0.00311	0.2426	1152.3893	0.158073	-422.558263	-422.550167	-422.549223	-422.5906	31.543
+O	 0.6914633116	-0.5762452479	 0.4779441916	-0.418966
+C	 0.7000628249	 0.6762053548	-0.1648519347	-0.148408
+C	 0.2801474526	 0.5739952316	-1.622329736	 0.326562
+O	-0.732888104	-0.4567381702	-1.8336497092	-0.314464
+C	 0.5769947055	-0.6392084276	-2.3998004364	-0.000444
+C	 0.697482873	-0.5370175339	-3.9019784324	-0.249848
+C	-0.1764520772	 0.5880088849	-4.4933080463	-0.268576
+C	-0.1065935984	 1.856529202	-3.6846290683	-0.079097
+C	 0.091178321	 1.8458792121	-2.3656072734	-0.093514
+H	-0.1224726477	-1.0070633194	 0.1817532141	 0.292144
+H	 0.0324971636	 1.3962789321	 0.340116486	 0.09252
+H	 1.7184086673	 1.0769300861	-0.0987830731	 0.116993
+H	 1.159355215	-1.4212672703	-1.9144181373	 0.101182
+H	 1.7549981786	-0.348912654	-4.1300232816	 0.111914
+H	 0.44170516	-1.4946904071	-4.3684738445	 0.11039
+H	 0.1165614352	 0.7780679022	-5.5309696893	 0.104222
+H	-1.2194421908	 0.2487204942	-4.5269579298	 0.133859
+H	-0.2561256937	 2.7992358097	-4.2038806537	 0.096886
+H	 0.1177569036	 2.7694646207	-1.7936404858	 0.086643
+19
+0 5167	3.6556539	1.3510017	1.1258543	3.1979	75.4	-0.24351	0.06443	0.30794	1117.0758	0.155725	-422.472639	-422.464119	-422.463175	-422.506038	32.347
+C	 3.1940803708	-5.3961577696	-1.0101137122	-0.523312
+C	 2.5449128086	-4.0962738023	-0.6332495532	 0.301452
+C	 3.1503465395	-2.8189314625	 0.0060365608	-0.379036
+C	 1.6632493875	-2.4370211411	-0.1637514183	 0.271237
+C	 0.8913072822	-1.1928826503	 0.1644376077	-0.166438
+O	-0.4801326812	-1.3210601829	-0.1787499132	-0.441741
+C	 1.5489221758	-3.2516150678	-1.4926614731	 0.001379
+O	 0.3556650198	-3.9943057125	-1.0664609345	-0.338965
+C	 1.1968901406	-3.8988094981	 0.1335307097	 0.001477
+H	 3.6415855721	-5.8831669638	-0.1372100699	 0.124422
+H	 2.4515694684	-6.0768252962	-1.439045139	 0.137657
+H	 3.9866308894	-5.2431908966	-1.7503010869	 0.124416
+H	 3.515935348	-2.9144647254	 1.0328936971	 0.102228
+H	 3.8700255749	-2.2635124805	-0.602883878	 0.10223
+H	 0.9817643048	-0.9730032623	 1.2397128524	 0.09491
+H	 1.3262745066	-0.3345032298	-0.3712215581	 0.094665
+H	-0.6082737199	-2.1999204989	-0.5606704167	 0.297728
+H	 1.6138427787	-2.9227015989	-2.5300524082	 0.09782
+H	 0.8372153033	-4.3506396005	 1.0582147638	 0.09787
+19
+0 5168	3.1426649	1.377249	1.1460547	2.2478	75.64	-0.23516	0.07616	0.31132000000000004	1124.6912	0.155532	-422.480342	-422.471825	-422.470881	-422.513256	32.601
+C	 5.2767337588	-2.7832263237	-1.0426826205	-0.524776
+C	 4.0543267521	-2.0451233873	-0.6036477192	 0.465277
+O	 2.8122385854	-2.7981193379	-0.3925766351	-0.406884
+C	 2.4619375925	-1.4084643565	-0.075392488	 0.456384
+C	 1.0355465211	-1.1609137742	 0.3041973134	-0.204883
+O	 0.1623359734	-1.5717883598	-0.7321085424	-0.416016
+C	 3.8209362127	-1.0891796013	 0.6197486952	-0.194182
+C	 4.0414527171	 0.1705833034	-0.2455635451	-0.285907
+C	 3.3361069981	-0.7984688533	-1.2180842572	-0.169591
+H	 5.5501925081	-3.5458346937	-0.3071449221	 0.135885
+H	 5.1019222014	-3.2763176205	-2.003879854	 0.135902
+H	 6.1181294946	-2.0923855279	-1.1557023988	 0.130386
+H	 0.8191036053	-1.6846188264	 1.2493178197	 0.099021
+H	 0.8681247141	-0.090948543	 0.4681868889	 0.116404
+H	 0.4575015037	-2.4501240213	-1.0011203059	 0.295333
+H	 4.0840515019	-1.2867695272	 1.6595140132	 0.080442
+H	 3.4851141186	 1.0664128148	 0.0425349345	 0.102233
+H	 5.0785072193	 0.4280156614	-0.4773381894	 0.099215
+H	 3.0402780017	-0.6638635458	-2.258285547	 0.085756
+19
+0 5169	3.3562457	1.277108	1.0955893	0.9347	75.09	-0.23386	0.07685	0.31071000000000004	1161.4924	0.155401	-422.477303	-422.468836	-422.467892	-422.510148	32.64
+C	 1.4985828018	 0.844843044	 0.4532215042	-0.380675
+C	 2.0391018587	 1.3481769606	-0.8908152463	-0.31807
+C	 2.5402814317	 0.2467303091	-1.7829290316	 0.332791
+C	 3.6836672245	-0.78294441	-1.5627289231	-0.364709
+C	 3.1517879302	-1.1421018556	-2.9528509102	 0.38011
+O	 3.6322427485	-2.1513297319	-3.7469627987	-0.464291
+C	 2.8383789794	 0.3548616093	-3.3139553142	-0.059091
+O	 1.4603887107	 0.0903471299	-3.7214000376	-0.33837
+C	 1.6684076179	-0.7873445218	-2.5724968902	-0.042289
+H	 0.6631844845	 0.1519183758	 0.3078717793	 0.118548
+H	 2.2724678568	 0.3194750953	 1.0223836017	 0.120035
+H	 1.1395021578	 1.6764491116	 1.0667148767	 0.116171
+H	 1.2533281472	 1.8890521636	-1.4326844791	 0.115704
+H	 2.8501446585	 2.0670275582	-0.7163268108	 0.101096
+H	 4.6994853041	-0.3797332797	-1.5194174152	 0.102193
+H	 3.5300955874	-1.5277288821	-0.7770924922	 0.104229
+H	 3.1162253482	-2.154230572	-4.5631717901	 0.29445
+H	 3.4186416518	 1.0974228428	-3.862471455	 0.090866
+H	 0.8463484805	-1.4187584371	-2.2346016377	 0.091303
+19
+0 5170	3.1682024	1.3476455	1.1262063	0.3103	75.62	-0.23801	0.06273	0.30074	1158.7683	0.15398	-422.463529	-422.454745	-422.453801	-422.496855	33.008
+C	 0.1987728468	 0.0105576668	-0.3176182862	-0.380736
+C	 1.6626184266	-0.0169461637	 0.1389010637	-0.340583
+C	 2.5087877611	-0.9291279219	-0.6888063131	 0.447453
+O	 2.6514994256	-0.6876730223	-2.1249939886	-0.375978
+C	 3.470970469	-1.8808255402	-1.9334130045	 0.420623
+C	 4.175765645	-2.4986162189	-3.0932505871	-0.536398
+C	 3.9774877761	-1.4403157914	-0.5184120501	-0.068212
+O	 3.592821275	-2.6842215279	 0.1335348367	-0.333193
+C	 2.5291958535	-2.4893384446	-0.8411720723	-0.053423
+H	-0.3832304643	 0.7133267556	 0.2850550294	 0.115427
+H	 0.1268740669	 0.3137640592	-1.3655457055	 0.139638
+H	-0.2620160633	-0.9778374705	-0.2213694468	 0.118662
+H	 2.0921557451	 0.9912723947	 0.0934752504	 0.115131
+H	 1.739487795	-0.3498303046	 1.1811044811	 0.120614
+H	 4.7352137463	-3.3760859488	-2.7551420185	 0.141648
+H	 3.4597353136	-2.812100273	-3.8589449748	 0.136779
+H	 4.8753317636	-1.7882318689	-3.5440070437	 0.136969
+H	 4.8882977035	-0.9318150662	-0.2002719256	 0.097363
+H	 1.726933025	-3.2249182734	-0.9070419245	 0.098218
+19
+0 5171	3.6469691	1.3835853	1.1490924	0.7917	75.75	-0.23058	0.07962	0.31020000000000003	1111.7679	0.15495	-422.461677	-422.453067	-422.452123	-422.494682	32.447
+C	 1.4224117851	-0.0140438988	 0.0114055774	-0.25526
+O	 0.0034473924	-0.0673768645	 0.0899979959	-0.286381
+C	-0.5303951428	 0.5944642957	 1.1547989927	 0.413688
+C	-2.0304191324	 0.6788017646	 1.4521616899	-0.382676
+C	-1.3994271851	 1.4890298152	 2.6106257651	 0.315238
+C	-2.0481597299	 2.1989322073	 3.7613528929	-0.520885
+C	-0.145790733	 0.554518763	 2.6861828047	-0.047672
+O	 0.8129116837	 1.6510690632	 2.606726764	-0.328493
+C	-0.2571460016	 2.0514721647	 1.6998323169	-0.047697
+H	 1.8894713705	-0.4640153481	 0.8958605297	 0.125048
+H	 1.7064589892	-0.5788998946	-0.8785091125	 0.125814
+H	 1.7796942405	 1.0188142666	-0.0803512259	 0.12508
+H	-2.6363012339	 1.241261861	 0.7360241277	 0.101411
+H	-2.5247560084	-0.2582450782	 1.7239716168	 0.101412
+H	-2.6220568075	 1.5046767888	 4.3844369389	 0.122173
+H	-1.2838878428	 2.6702334575	 4.3878634349	 0.136112
+H	-2.733943108	 2.9782965881	 3.4122606147	 0.122171
+H	 0.0614945406	-0.2798311825	 3.3567495255	 0.090458
+H	-0.1833447066	 3.0114033009	 1.1881181509	 0.090461
+19
+0 5172	3.4235979	1.3494956	1.1579739	1.1872	75.93	-0.2456	0.07503	0.32063	1108.7896	0.155837	-422.476353	-422.467919	-422.466975	-422.509107	32.372
+C	 1.3181670307	 0.0301332362	-0.1919944798	-0.262835
+O	-0.0764433933	 0.2210310001	-0.0332411604	-0.296381
+C	-0.4054142319	 1.2847333715	 0.7690282873	 0.470797
+C	-0.0999240072	 1.505664827	 2.2719600021	-0.406106
+C	-0.9547171231	 2.7128997267	 1.8243721363	 0.416779
+O	-1.3304298074	 3.8251432757	 2.547954127	-0.477111
+C	-1.8543174479	 1.8439817904	 0.8595739832	-0.181156
+C	-1.6369701688	 2.8225040629	-0.3140758718	-0.27593
+C	-0.2812851961	 2.8244961349	 0.4243770017	-0.156046
+H	 1.809984762	-0.1772436411	 0.7684578256	 0.115121
+H	 1.4486424926	-0.8302435303	-0.8515889869	 0.12969
+H	 1.7949877364	 0.9090297605	-0.6476655837	 0.113744
+H	-0.5611143856	 0.8004997169	 2.9723689665	 0.088959
+H	 0.936353676	 1.7209443676	 2.5512977528	 0.095166
+H	-1.8876025695	 3.5392877122	 3.2799041824	 0.28533
+H	-2.7369620649	 1.2667326576	 1.1409084801	 0.068399
+H	-1.6474784892	 2.3889732603	-1.3172758658	 0.099971
+H	-2.2067667461	 3.7546713752	-0.2836137216	 0.100476
+H	 0.6353565734	 3.3751894558	 0.2086263951	 0.071133
+19
+0 5173	3.340057	1.2897701	1.1104527	2.235	76.1	-0.24477	0.06855	0.31332	1132.995	0.155995	-422.489008	-422.480472	-422.479528	-422.521913	32.783
+O	 1.1295104631	 0.7399988087	-0.6256205146	-0.420587
+C	-0.0088729182	 0.3478573417	 0.1315726525	-0.2267
+C	-1.2168647572	 0.4968816146	-0.7401164648	 0.393321
+C	-1.5380597176	-0.2412710952	-2.0605552655	-0.344853
+C	-2.7259611662	 0.6899306447	-1.8308582696	 0.403476
+O	-3.8087594175	 0.7736963994	-2.6805446603	-0.470297
+C	-2.7123122097	 0.4817215716	-0.264176352	-0.167729
+C	-2.7146617769	 2.001725855	 0.0052746918	-0.290615
+C	-1.8315176344	 1.8512581891	-1.2510533396	-0.138649
+H	 1.9125307988	 0.5901496803	-0.0876452955	 0.287813
+H	 0.0759662794	-0.6998247245	 0.4635983528	 0.08809
+H	-0.1223521443	 0.9686928793	 1.035488342	 0.087217
+H	-0.8924807035	-0.0164459793	-2.9139728608	 0.104773
+H	-1.7348423608	-1.3160651639	-1.9858314756	 0.089363
+H	-4.4100127816	 1.4525066971	-2.3533009624	 0.284858
+H	-3.1972206112	-0.3263786039	 0.287165567	 0.068173
+H	-3.6687477728	 2.5276651256	-0.1143066796	 0.079294
+H	-2.219951095	 2.3435618318	 0.9194872262	 0.095295
+H	-1.2969566944	 2.6092612082	-1.824405752	 0.077756
+19
+0 5174	3.9910775	1.130746	1.0751191	1.6935	75.22	-0.22974	0.07257	0.30230999999999997	1192.2663	0.155665	-422.497388	-422.488833	-422.487889	-422.530333	32.75
+C	 4.2731050101	-4.6822996317	 1.1662604229	-0.505372
+C	 3.0029324355	-3.8956942507	 1.1002696979	 0.419555
+C	 2.3969092823	-3.3100427539	-0.2048420835	-0.309148
+C	 1.5956348358	-2.3904184134	 0.7180788954	 0.256526
+C	 0.7654315652	-1.1967515417	 0.3656984623	-0.180784
+O	-0.363839164	-1.530866954	-0.4304332211	-0.412883
+C	 1.3268814551	-3.27299605	 1.9627281643	 0.047819
+O	 1.8497084396	-4.5710730477	 1.7099680915	-0.329177
+C	 2.6190771597	-2.5496623207	 1.8436116281	-0.261282
+H	 4.5260419843	-4.9259213905	 2.2019241125	 0.132435
+H	 4.1616759946	-5.6192760687	 0.6097854634	 0.135232
+H	 5.0991211689	-4.1164292297	 0.7251523678	 0.123905
+H	 3.1368884759	-2.7445897833	-0.7786182874	 0.099883
+H	 1.8643349608	-4.0149587449	-0.8505419854	 0.101077
+H	 0.4684970434	-0.6695827944	 1.2889500763	 0.083694
+H	 1.344327992	-0.4853925544	-0.2344330033	 0.111482
+H	-0.8358702348	-2.2362501934	 0.0247830884	 0.282402
+H	 0.4874345294	-3.1589396258	 2.6373145501	 0.105349
+H	 3.1510218962	-1.842167591	 2.4652980097	 0.099287
+19
+0 5175	3.532307	1.2415074	1.1400591	2.2153	75.22	-0.23283	0.07085	0.30368	1149.3739	0.155704	-422.50116	-422.492603	-422.491659	-422.534264	32.711
+C	-3.6359349133	 0.9306165124	 2.9260948422	-0.505496
+C	-2.5029133415	 0.0017354532	 2.6252522123	 0.421267
+C	-1.9470430342	-1.0581758632	 3.6197420609	-0.264884
+C	-1.3279174043	-1.7078575134	 2.3852600501	-0.153553
+C	-2.3619161626	-1.0638057063	 1.4617143453	-0.278884
+C	-0.9724621954	-0.5298709088	 1.4610355472	 0.474346
+C	 0.1328177864	-0.4817139573	 0.4618241283	-0.193639
+O	 1.3965203435	-0.2708998534	 1.0725543843	-0.413229
+O	-1.283708014	 0.6767701145	 2.169273881	-0.374137
+H	-3.3572649283	 1.6108966056	 3.7383642105	 0.133799
+H	-3.8903139034	 1.5311426313	 2.0481544161	 0.131724
+H	-4.521702603	 0.3684447429	 3.2366700934	 0.124152
+H	-1.2916674484	-0.6803231695	 4.4111048619	 0.097746
+H	-2.7460428941	-1.6743001103	 4.0413019524	 0.101341
+H	-0.8598698749	-2.6788643708	 2.2874361436	 0.095127
+H	-3.0237125102	-1.4500072675	 0.6984078392	 0.098175
+H	 0.1913295955	-1.4391625706	-0.0664651736	 0.114289
+H	-0.0843828146	 0.299505675	-0.2832332116	 0.09812
+H	 1.3104895767	 0.5141192161	 1.6247991366	 0.293736
+19
+0 5176	4.0787032	1.1934926	1.1266173	0.8555	75.35	-0.21415	0.0823	0.29645	1162.5626	0.154885	-422.480894	-422.472264	-422.47132	-422.513962	32.65
+C	 1.6075270287	-0.0146539836	 0.0948573676	-0.258296
+O	 0.1913723957	-0.1012718924	 0.1591754452	-0.280772
+C	-0.3611189222	 0.7003009979	 1.1235437494	 0.387707
+C	-0.5489207237	 2.2199481625	 1.1230249531	-0.341403
+C	-1.5088652867	 1.9497076537	 2.3192681755	 0.418737
+C	-2.5548774771	 2.9148163977	 2.7802855061	-0.50129
+O	-0.5982223246	 1.4987483397	 3.3788682526	-0.32806
+C	-0.4388224371	 0.3051057143	 2.617451396	 0.018424
+C	-1.6887506251	 0.4604018808	 1.8130279143	-0.281062
+H	 2.0688724246	-0.2891172046	 1.0530308683	 0.114454
+H	 1.9333384216	-0.7131765368	-0.6785359821	 0.128948
+H	 1.9371980598	 0.9978012263	-0.1751963117	 0.117418
+H	 0.3025001072	 2.8765040301	 1.3283599042	 0.096823
+H	-1.0941176037	 2.5481552256	 0.2340053459	 0.105162
+H	-3.1517226453	 2.4813371978	 3.5875844819	 0.132681
+H	-2.0817868228	 3.8290646846	 3.1548049228	 0.133558
+H	-3.220449767	 3.1845195538	 1.9549631529	 0.124061
+H	 0.038079148	-0.5611030398	 3.0567311609	 0.108795
+H	-2.5375132205	-0.1742158578	 1.5994356468	 0.104114
+19
+0 5177	3.8491065	1.2066618	1.1183256	1.599	75.5	-0.23623	0.07345	0.30968	1149.2568	0.155871	-422.495683	-422.487282	-422.486337	-422.528352	32.595
+C	 1.1493868088	-0.2829267357	-0.2572861602	-0.2588
+O	 0.8795169179	 0.9079553852	 0.4646509785	-0.283225
+C	-0.0674505943	 0.7497951772	 1.4455081265	 0.461974
+C	-1.5817672494	 0.6160853215	 1.266263611	-0.344249
+C	-1.6568906737	 0.9420476456	 2.7762934617	 0.392341
+O	-2.8235473627	 1.5361213057	 3.2170816762	-0.470888
+C	-1.0243252516	-0.29001807	 3.4794884961	-0.298258
+C	 0.2839517172	 0.1580292294	 2.8282903098	-0.137021
+C	-0.1919162677	 1.5915267986	 2.6754891928	-0.263454
+H	 1.5063239437	-1.0819372502	 0.4070137467	 0.110679
+H	 0.2591561568	-0.6435038097	-0.7910932233	 0.11453
+H	 1.926909532	-0.0441223204	-0.9860551488	 0.127161
+H	-1.9780462785	 1.4447632558	 0.6736059725	 0.111499
+H	-2.0155354854	-0.3346293849	 0.9366032898	 0.088497
+H	-2.7666016955	 1.6470102403	 4.1723906476	 0.280878
+H	-0.9886470537	-0.1553861619	 4.5673888151	 0.087912
+H	-1.4409309409	-1.2761227205	 3.242557635	 0.091557
+H	 1.292829842	-0.1660939442	 3.0471471848	 0.090356
+H	 0.2428440952	 2.5394115182	 2.9563637982	 0.098512
+19
+0 5178	3.4459965	1.2334348	1.0656207	2.0342	75.64	-0.24398	0.07354	0.31752	1164.3107	0.156461	-422.512293	-422.503861	-422.502916	-422.545024	32.809
+O	 0.9989204707	 1.015188997	 0.3050851421	-0.42141
+C	 0.1545889029	-0.0719816391	-0.0627595278	-0.21265
+C	-0.9671009045	 0.4582201879	-0.8920149384	 0.380623
+C	-0.8450703045	 1.2832379098	-2.1748182694	-0.354189
+C	-2.3497168024	 1.6031697866	-1.9796706828	 0.392616
+O	-2.9495959657	 2.718680461	-2.5312198096	-0.475259
+C	-3.058374159	 0.24884073	-2.1927434795	-0.27062
+C	-2.3604296882	-0.1955322525	-0.9071117448	-0.124671
+C	-2.1829444765	 1.2239735277	-0.4278232929	-0.210377
+H	 1.7887345912	 0.6513123179	 0.7159960087	 0.285966
+H	 0.7191718296	-0.8266559075	-0.6346176643	 0.088385
+H	-0.2545618188	-0.5774207946	 0.8276417715	 0.084707
+H	-0.2150345425	 2.1604062198	-1.9956567099	 0.10108
+H	-0.5490251064	 0.791469816	-3.1097960071	 0.084902
+H	-2.3607320212	 3.4715522775	-2.4121592585	 0.281751
+H	-4.1366409686	 0.3473765658	-2.0418159867	 0.106736
+H	-2.8558792136	-0.2832356087	-3.1295073451	 0.087702
+H	-2.5734108856	-1.07120671	-0.3072283979	 0.082878
+H	-2.4144586669	 1.7139478355	 0.5067617224	 0.091832
+19
+0 5179	2.8485349	1.4096047	1.2530484	2.4914	74.72	-0.23096	0.06306	0.29402	1090.4006	0.156188	-422.496854	-422.488326	-422.487382	-422.529912	32.402
+C	-3.2579901014	-1.0177772193	 1.0634851704	-0.529979
+C	-2.0713810265	-0.9141306101	 1.9644057772	 0.217601
+C	-1.8270107783	-0.2504041981	 3.3215693978	-0.172306
+C	-0.592447991	 0.487971611	 2.8095676507	-0.261888
+C	-0.5201930287	-0.6393073969	 1.7461157387	 0.359449
+C	 0.2927821175	-0.5777215698	 0.4863319529	-0.182803
+O	 1.6765482045	-0.531756443	 0.7889515931	-0.416772
+O	-0.1844530789	-1.8221939427	 2.5497837439	-0.351491
+C	-1.5100423023	-1.7376493565	 3.0711337839	 0.052089
+H	-4.150880144	-1.2818563818	 1.6405503161	 0.127768
+H	-3.4654000604	-0.0696887733	 0.5542271165	 0.124611
+H	-3.118094825	-1.788611748	 0.2974055567	 0.1286
+H	-2.5650895219	 0.0724894207	 4.0454459405	 0.088951
+H	-0.8563071323	 1.4482851978	 2.3584432952	 0.101691
+H	 0.2788921247	 0.5949917829	 3.4616426275	 0.103512
+H	 0.0458352629	-1.4408698814	-0.1517311478	 0.094834
+H	 0.0568694952	 0.3337123233	-0.0730934248	 0.111042
+H	 1.8498772457	-1.2713306344	 1.3836169495	 0.299349
+H	-1.9067615999	-2.5674543905	 3.6418255521	 0.105741
+19
+0 5180	2.8900157	1.3854283	1.2448834	0.9216	74.69	-0.22496	0.06542	0.29037999999999997	1103.3397	0.155781	-422.494822	-422.486299	-422.485355	-422.527872	32.689
+C	 1.0859548334	 1.0602240245	 0.204161436	-0.382279
+C	 0.9173748419	-0.4490083233	-0.0173332525	-0.306624
+C	 1.5704466663	-0.9233000408	-1.2813537719	 0.345927
+C	 1.1376991376	-0.4997301164	-2.7161571072	-0.26311
+C	 1.8893148519	-1.7398481526	-3.1876393816	-0.164162
+C	 3.0928237043	-1.849629631	-2.1978079146	-0.005523
+O	 3.0220643471	-0.7378435409	-1.31565753	-0.325564
+C	 1.761983154	-2.4178380298	-1.8449277962	 0.264318
+O	 1.2534630952	-3.6491609418	-1.5341884109	-0.447329
+H	 0.6287482392	 1.3680640949	 1.148936758	 0.112424
+H	 2.1454830702	 1.3284525932	 0.2320662479	 0.140298
+H	 0.6142835355	 1.6340879247	-0.599883681	 0.120296
+H	 1.3479474542	-0.9988686013	 0.8285058402	 0.101519
+H	-0.1462871088	-0.7131580647	-0.0584232515	 0.107223
+H	 0.0591757204	-0.6048812836	-2.8607782997	 0.104723
+H	 1.4796117295	 0.4851062032	-3.0483730954	 0.0995
+H	 1.92083498	-2.1994193892	-4.1670845932	 0.094779
+H	 4.0543490639	-2.2774416526	-2.4484539118	 0.109469
+H	 1.6773628244	-3.9604422424	-0.7257087747	 0.294113
+19
+0 5181	2.7831443	1.4598857	1.2996488	1.5935	75.11	-0.22579	0.07328	0.29907	1070.4143	0.15611	-422.490786	-422.482302	-422.481357	-422.523692	32.477
+C	 1.3222311121	-0.1395067526	-0.0338642036	-0.265925
+O	-0.0665822133	-0.0315526546	 0.218086837	-0.297613
+C	-0.3757472609	 0.6837367543	 1.3559014963	 0.338866
+C	-0.036813271	 0.1709220999	 2.7906633465	-0.293529
+C	-1.2984056824	 0.9183463445	 3.2226364635	-0.11444
+C	-1.3804272547	 2.2277050978	 2.3745876968	-0.154597
+C	-0.1671772527	 2.2282227073	 1.447143382	-0.291216
+C	-1.881281024	 0.9056908568	 1.8481127851	 0.315467
+O	-3.0915695903	 0.4294348197	 1.4268315452	-0.446914
+H	 1.8446574234	-0.6526226229	 0.7858501308	 0.115315
+H	 1.4368687879	-0.7255488893	-0.948269818	 0.129128
+H	 1.7871648806	 0.8457709341	-0.1815089557	 0.112951
+H	-0.1732119981	-0.9115792541	 2.8625664737	 0.107786
+H	 0.9255757594	 0.4627342329	 3.2260442737	 0.085899
+H	-1.8312209972	 0.8499044138	 4.1616130141	 0.092419
+H	-1.9538884792	 3.0710131355	 2.7362069382	 0.089271
+H	-0.3874995654	 2.7131138192	 0.4915125017	 0.096476
+H	 0.7905670566	 2.5880445114	 1.8393651906	 0.087845
+H	-3.3047631007	 0.8404465965	 0.5810370122	 0.292811
+19
+0 5182	2.4702292	1.627357	1.3875919	2.0023	74.55	-0.22237	0.05617	0.27854	1020.9881	0.156877	-422.504041	-422.495653	-422.494709	-422.53698	32.547
+O	 0.2204532758	 0.9828816241	 0.665290019	-0.422203
+C	 0.4557754052	 0.0224872545	-0.3698933696	-0.211807
+C	-0.4852598815	 0.229800395	-1.5238876092	 0.235272
+C	-0.5196474942	 1.5585085523	-2.3409280186	-0.28118
+C	-2.0141826891	 1.3054404829	-2.5130454251	-0.150503
+C	-2.1905567418	-0.2439708811	-2.6674567978	-0.120772
+C	-0.7943380155	-0.8619421827	-2.5932501845	-0.290207
+C	-2.0567179358	 0.3826165205	-1.3200340009	 0.368452
+O	-2.8275894978	 0.2684900335	-0.1950737846	-0.457296
+H	 0.5438257993	 1.8335822392	 0.352760861	 0.286856
+H	 1.5079787729	 0.0382414068	-0.6943919575	 0.095395
+H	 0.2719976504	-0.952699128	 0.0938232672	 0.117766
+H	-0.3387418868	 2.4388142895	-1.7143587192	 0.079408
+H	 0.119814312	 1.6074016514	-3.2300981815	 0.089461
+H	-2.7798408097	 1.9743906325	-2.8841257144	 0.087192
+H	-3.0830797317	-0.6382763778	-3.1354624183	 0.089637
+H	-0.8245862989	-1.863293222	-2.153342393	 0.102371
+H	-0.1679057044	-0.8729755648	-3.4927275012	 0.088114
+H	-2.4147354386	 0.8208207141	 0.4816568784	 0.294045
+19
+0 5183	3.5922495	1.4840688	1.4235633	1.4275	72.69	-0.2375	0.08358	0.32108	1003.5931	0.1582	-422.559623	-422.552204	-422.55126	-422.591394	29.683
+C	 2.1290653779	 1.1658734363	 1.0218186903	-0.380392
+C	 1.5867127794	 0.0882458848	 0.0773924724	-0.287292
+C	 1.9783777319	 0.3052990809	-1.3608463551	 0.471809
+C	 1.5280000617	-0.6751137321	-2.4742955526	-0.260606
+C	 2.2204246981	 0.0841939151	-3.5939778894	-0.183967
+C	 2.180018394	 1.5350788665	-3.1239895852	 0.040331
+O	 1.534030879	 1.5706229235	-1.8690172507	-0.289346
+C	 3.4274250935	 0.7165078209	-2.9077317731	 0.040332
+O	 3.4000016048	 0.3461013823	-1.5455534679	-0.289352
+H	 1.8190529173	 0.964928533	 2.0512377893	 0.106402
+H	 3.2207208385	 1.1936595526	 0.9878442322	 0.134152
+H	 1.7575679386	 2.1522616541	 0.7343184494	 0.134157
+H	 1.9499166471	-0.9016303011	 0.3739538345	 0.112464
+H	 0.4928472572	 0.0529970982	 0.1213751338	 0.112435
+H	 1.925641104	-1.6799840153	-2.3168143108	 0.110114
+H	 0.440905351	-0.7055649861	-2.5741969258	 0.110114
+H	 2.2091011463	-0.2079161054	-4.6343103669	 0.097657
+H	 2.0665128935	 2.4189689142	-3.7338796067	 0.110493
+H	 4.4082750563	 0.8822664578	-3.3279323978	 0.110493
+19
+0 5184	3.5885885	1.4876591	1.4389722	1.4728	73.13	-0.23226	0.09079	0.32305	990.395	0.158631	-422.552898	-422.545513	-422.544569	-422.584584	29.513
+C	 0.6090071216	 0.1134307815	-0.6882505083	-0.262143
+O	 0.5065741036	-0.3083986847	 0.6662521335	-0.302487
+C	-0.1498363534	 0.5476864223	 1.5057331681	 0.470071
+C	-0.256370967	 0.0505598789	 2.9627430657	-0.265353
+C	-1.1738204049	 1.1676301306	 3.4343510089	-0.117644
+C	-0.8074781447	 2.4176839677	 2.6210846617	-0.115163
+C	 0.3173035021	 2.0234112829	 1.6788624638	-0.28954
+C	-1.9631408528	 1.5372925605	 2.1979773465	 0.09406
+O	-1.5426802365	 0.7153469192	 1.1314040556	-0.295256
+H	 1.2705471341	 0.9831961217	-0.7915013824	 0.113013
+H	 1.0398265163	-0.7249082486	-1.2387665259	 0.128857
+H	-0.374740575	 0.3559927597	-1.1023083035	 0.137056
+H	-0.7168868393	-0.9394799126	 3.0043621633	 0.112265
+H	 0.7159792824	 0.0283710062	 3.4607289943	 0.104721
+H	-1.5847166892	 1.2234352588	 4.4329897618	 0.089189
+H	-0.9439317728	 3.4207891414	 3.0019799417	 0.088706
+H	 0.2951039732	 2.582488876	 0.7400463365	 0.103154
+H	 1.3154954191	 2.0831717368	 2.1203479913	 0.104975
+H	-3.0040337967	 1.8265418019	 2.1692668975	 0.101519
+19
+0 5185	3.5618516	1.400311	1.3684141	0.5916	73.	-0.22906	0.0689	0.29796	1014.2253	0.158846	-422.562401	-422.554917	-422.553972	-422.594245	29.909
+O	 1.2844014363	 0.4890726107	-0.2360083043	-0.426585
+C	-0.0967090604	 0.2295851866	-0.028484146	-0.192072
+C	-0.7534607975	 0.1768270138	-1.385773488	 0.384813
+C	-0.7436159995	 1.4476358709	-2.2704764082	-0.247397
+C	-1.6657338718	 0.8872820517	-3.3448516381	-0.116919
+C	-1.3927398931	-0.6202745973	-3.4182459089	-0.116925
+C	-0.314799362	-0.9211116221	-2.3857291645	-0.247377
+C	-2.5444548037	-0.0884848327	-2.5980231522	 0.090231
+O	-2.1631284849	-0.0857773263	-1.23375476	-0.305555
+H	 1.7142972976	 0.5254875719	 0.6228491506	 0.292758
+H	-0.2589951884	-0.7288972258	 0.4872573135	 0.096784
+H	-0.574498242	 1.0182704799	 0.5721002835	 0.096774
+H	-1.1731388511	 2.3066693283	-1.7459987238	 0.097252
+H	 0.2587006382	 1.6983093519	-2.6236599073	 0.113382
+H	-2.0141688852	 1.4591172032	-4.194122082	 0.085607
+H	-1.5335019324	-1.195249921	-4.3233717173	 0.085608
+H	-0.407753984	-1.9213646722	-1.951717274	 0.097261
+H	 0.7057325967	-0.7709993438	-2.7437582257	 0.113387
+H	-3.594796833	-0.2700735277	-2.7748688974	 0.098972
+19
+0 5186	2.4621281	1.7458466	1.251073	2.1634	73.72	-0.23188	0.06275	0.29463	1046.3207	0.156335	-422.494839	-422.486549	-422.485605	-422.527561	32.04
+C	 1.1903794368	-0.659536602	-0.9818697945	-0.417279
+C	 0.9660646871	 0.1910610146	 0.2612988799	-0.020219
+C	 1.719028807	-0.2900645064	 1.5063017381	-0.118109
+C	 2.0176804564	 0.9929770009	 2.2941296654	 0.080061
+O	 1.4135188828	 2.0863160436	 1.6024305751	-0.349273
+C	 1.8882989968	 1.445014648	 0.36697444	 0.414868
+C	 2.1010594843	 2.4412202329	-0.7331977542	-0.197526
+O	 0.884443313	 3.0970935136	-1.0482124923	-0.418161
+C	 2.9291317408	 0.5886010421	 1.1901709872	-0.222194
+H	 0.6781890783	-1.6232295401	-0.894145921	 0.11674
+H	 0.8009255669	-0.1559664121	-1.8725862764	 0.12802
+H	 2.2553881157	-0.8640904626	-1.13983195	 0.112864
+H	-0.0968881751	 0.4213318281	 0.3919288198	 0.075879
+H	 1.7106994976	-1.2706087265	 1.9663122277	 0.089549
+H	 2.1481763346	 1.0549749334	 3.3662764393	 0.110209
+H	 2.8842729776	 3.1548154959	-0.4340433754	 0.098666
+H	 2.4369679679	 1.9349523986	-1.6440344824	 0.115836
+H	 0.5387914194	 3.4457183293	-0.2178940688	 0.299708
+H	 3.992012332	 0.4053782087	 1.1211552623	 0.100362
+19
+0 5187	2.6741937	1.6543324	1.3371633	1.9901	73.65	-0.23597	0.07133	0.3073	1028.986	0.156673	-422.506091	-422.49796	-422.497016	-422.538537	31.788
+C	 1.370576481	 1.0834690634	 0.3009775251	-0.389591
+C	 0.9013238724	-0.3348283415	-0.0544369977	-0.322756
+C	 1.57526341	-0.8715788724	-1.2814398304	 0.386259
+O	 3.0453352183	-0.9474428778	-1.1826211981	-0.345395
+C	 2.9660554048	-2.024336758	-2.1243376136	 0.087901
+C	 1.9615650187	-1.6295136368	-3.2093265915	-0.183997
+C	 1.5245655602	-2.3119204258	-1.9090085299	-0.216135
+C	 1.4106756789	-0.2880760672	-2.7212953471	 0.144959
+O	 2.0819567866	 0.9016174487	-3.0173191498	-0.446337
+H	 0.8422040584	 1.4544393575	 1.1836827375	 0.110893
+H	 2.4422385465	 1.0880431536	 0.5189742435	 0.134071
+H	 1.1945156073	 1.7759420642	-0.5264319538	 0.137895
+H	 1.0934499368	-1.0160298004	 0.7829610754	 0.109626
+H	-0.1817036248	-0.3467010407	-0.2305320161	 0.104767
+H	 3.8282573639	-2.6609098527	-2.269298577	 0.112637
+H	 1.9792176918	-2.0381809664	-4.2111782807	 0.094318
+H	 0.9518141975	-3.2047369014	-1.7057642048	 0.103865
+H	 0.3578420856	-0.1633366796	-2.9867935317	 0.09173
+H	 2.9520811561	 0.8093040431	-2.6049097093	 0.285287
+19
+0 5188	2.5794809	1.7686997	1.28784	1.1279	74.29	-0.22891	0.07622	0.30513	1025.4215	0.15632	-422.495522	-422.487102	-422.486158	-422.528246	32.22
+C	 1.4314762152	 0.0124021627	-0.1010179779	-0.27311
+O	 0.0358300573	-0.0690439077	 0.1488601141	-0.294531
+C	-0.3758942505	 0.6665705781	 1.2374240104	 0.380217
+C	-0.0949448457	 0.2628079603	 2.7141312105	-0.307384
+C	-1.4129592217	 0.9829598485	 3.0159217101	-0.065826
+C	-1.5070559462	 2.2129996488	 2.1044236976	-0.101387
+C	-1.9074070171	 0.8414290128	 1.5982506444	-0.185901
+C	-0.2453059983	 2.2304790866	 1.24297793	 0.085352
+O	-0.394060197	 2.8153909548	-0.0293910797	-0.446799
+H	 2.0166498021	-0.3550406958	 0.7537095902	 0.112162
+H	 1.6347363693	-0.6224668737	-0.9658402248	 0.128681
+H	 1.7332451519	 1.0415703716	-0.3299780518	 0.133602
+H	-0.1933982013	-0.8170518327	 2.8560375275	 0.105233
+H	 0.8282647602	 0.6231060108	 3.1825515076	 0.089018
+H	-2.0024685596	 0.9250668127	 3.9215906908	 0.092548
+H	-2.1505678771	 3.0495064433	 2.3456219489	 0.09189
+H	-2.8202684088	 0.4370819502	 1.1876250102	 0.09721
+H	 0.6660768417	 2.6651745265	 1.6671101234	 0.076991
+H	-1.1233457044	 2.3654176023	-0.4736346114	 0.282035
+19
+0 5189	2.6704161	1.655388	1.2473895	2.6416	73.89	-0.24879	0.05853	0.30732000000000004	1036.6348	0.157472	-422.508175	-422.500043	-422.499099	-422.540919	31.831
+O	 1.1218540991	 0.3986863702	-0.6127530086	-0.420944
+C	-0.011937257	 0.4907248468	 0.2362523508	-0.199642
+C	-1.2932970492	 0.5986160281	-0.5577502585	 0.280268
+C	-1.8624173023	 1.9193762403	-1.1439230076	-0.280457
+C	-3.2222992916	 1.2185338923	-1.1058480002	-0.063831
+C	-3.0004677358	-0.2540520502	-1.4780115953	-0.110515
+C	-2.7645502624	 0.2355598262	-0.060134311	-0.175747
+C	-1.5085220272	-0.4158444722	-1.726403156	 0.106536
+O	-0.9858613969	-1.7079907626	-1.4639086258	-0.457417
+H	 1.0408802322	-0.4486066079	-1.0676227563	 0.294421
+H	-0.0713258385	-0.3779461741	 0.9114920181	 0.080209
+H	 0.1368689395	 1.3752853198	 0.8652441887	 0.108495
+H	-1.818117172	 2.7387088713	-0.4199882676	 0.099137
+H	-1.4613269752	 2.257108878	-2.106173823	 0.09733
+H	-4.2061135885	 1.660559423	-1.2017313051	 0.090776
+H	-3.8097803801	-0.8677590559	-1.8547082824	 0.089282
+H	-3.1896572965	-0.0465775501	 0.892313879	 0.092467
+H	-1.1025074498	-0.1321092867	-2.7026007961	 0.087331
+H	-1.4477541377	-2.0580510465	-0.6921409531	 0.282302
+19
+0 5190	3.3516751	1.5187103	1.2953501	2.1968	73.29	-0.21526	0.07593	0.29119	1033.5411	0.15709	-422.514143	-422.506352	-422.505408	-422.546311	30.412
+C	 1.0202743664	 1.0103945718	-0.0385963432	-0.382556
+C	 1.014251048	-0.5175402538	-0.1387188045	-0.290649
+C	 1.7693595361	-1.0554268718	-1.3314725554	 0.392531
+C	 1.8487844061	-2.5713425953	-1.4982224367	-0.099658
+O	 2.4676850272	-2.7663508571	-2.7750436298	-0.269196
+C	 2.3992312851	-1.5392870732	-3.459109288	 0.080444
+C	 3.0021605858	-0.3205107942	-2.7830639607	 0.05687
+O	 3.1678375786	-0.5847527242	-1.3927166316	-0.331643
+C	 1.5097181571	-0.5427963476	-2.7771225311	-0.258624
+H	 0.5098379091	 1.3403509668	 0.8706042156	 0.112666
+H	 2.0463794986	 1.3848000664	-0.0154308731	 0.139238
+H	 0.5119529918	 1.468889581	-0.8927442203	 0.116152
+H	 1.4615148573	-0.948969045	 0.7660393731	 0.112455
+H	-0.0150814504	-0.8957917022	-0.1879645199	 0.104839
+H	 2.4796649371	-3.0255530664	-0.7280961609	 0.116927
+H	 0.8521199652	-3.0393673784	-1.4783187165	 0.089668
+H	 2.4354000244	-1.6345256006	-4.5376722565	 0.108463
+H	 3.6363264483	 0.4276465482	-3.2452588822	 0.103394
+H	 0.6568902382	-0.0023285844	-3.1645351584	 0.09868
+19
+0 5191	3.2870986	1.5164377	1.3066393	1.2161	73.77	-0.22965	0.08412	0.31377	1026.7017	0.157544	-422.510338	-422.502596	-422.501652	-422.54239	30.209
+C	 1.268263699	-0.2195529352	-0.1667335096	-0.265205
+O	-0.0494451362	 0.2286102736	 0.0880225995	-0.307666
+C	-0.2487021932	 0.7491259626	 1.3636751088	 0.403201
+C	-0.1645397399	-0.2187301072	 2.5972314762	-0.293004
+C	-1.491017219	 0.368323972	 3.0837488521	-0.106817
+C	-1.4520777627	 1.8764111658	 2.9339130077	 0.114652
+O	-0.1962550539	 2.5268861669	 2.8835135798	-0.269756
+C	 0.4612876302	 2.073891577	 1.6978357455	-0.130325
+C	-1.7264668043	 1.0515401495	 1.7304605003	-0.194322
+H	 1.5924527355	-0.9717857063	 0.5663867602	 0.114633
+H	 1.2607990637	-0.6757362859	-1.1589892274	 0.131212
+H	 1.9950874968	 0.6048486633	-0.1643401162	 0.114038
+H	-0.2870326048	-1.2537285984	 2.2680888666	 0.109198
+H	 0.7055601973	-0.1344131008	 3.2570257008	 0.095311
+H	-2.2098390279	-0.1243344352	 3.7287354562	 0.085821
+H	-2.2222067299	 2.4676283944	 3.4140473803	 0.104362
+H	 0.3376299619	 2.7947686784	 0.8748237148	 0.094906
+H	 1.5266735202	 1.9619618261	 1.9227796199	 0.103659
+H	-2.5713152029	 1.0906886594	 1.0568344244	 0.096101
+19
+0 5192	3.2491266	1.4952482	1.2876774	2.5268	73.73	-0.24539	0.08504	0.33043	1029.7921	0.158547	-422.533319	-422.525729	-422.524785	-422.565218	30.148
+O	 0.9614790769	 0.7114526111	 0.5902496161	-0.422301
+C	-0.2346527419	 0.1898269494	 0.0419149338	-0.150117
+C	-1.4181163147	 1.0625906376	 0.3831864547	 0.395551
+C	-1.8805682603	 1.18494935	 1.8755492153	-0.277383
+C	-3.3231744649	 1.1358883511	 1.3687290527	-0.078392
+C	-3.4782122803	 2.0377868034	 0.154276028	-0.069765
+C	-2.4041038567	 3.0895032937	-0.0999849697	-0.111727
+O	-1.1746626501	 2.358288684	-0.175016003	-0.317754
+C	-2.8673943077	 0.6786693796	-0.0104249581	-0.141817
+H	 0.9900034518	 1.638631974	 0.3258780439	 0.292711
+H	-0.1706176912	 0.0928717052	-1.0541492384	 0.091216
+H	-0.3711442379	-0.8112061118	 0.4626852201	 0.107408
+H	-1.6205971924	 0.2902692008	 2.4471259896	 0.107419
+H	-1.5408256372	 2.0718211496	 2.4192557042	 0.097156
+H	-4.1890348474	 0.80523079	 1.9300463819	 0.08681
+H	-4.4866217705	 2.2129592292	-0.2014682093	 0.094411
+H	-2.5585572936	 3.6113711519	-1.0513879661	 0.106688
+H	-2.3511485248	 3.8418266046	 0.6988848225	 0.100427
+H	-3.2115749072	-0.1092484437	-0.6666897083	 0.08946
+19
+0 5193	2.9934727	1.4799228	1.3056705	0.8291	73.43	-0.22886	0.06062	0.28948	1034.7151	0.158162	-422.524449	-422.516679	-422.515735	-422.556608	30.436
+O	 1.3342390986	 0.8103082408	-0.3025415044	-0.416755
+C	 0.2259278775	 0.1028320352	 0.2357218105	-0.184268
+C	-1.0476895024	 0.923948157	 0.2867047529	 0.274671
+C	-2.3855864989	 0.1456716537	 0.5433276498	-0.284875
+C	-3.0271199831	 0.9510856527	-0.5847321215	-0.10439
+C	-2.6327418284	 2.4068211072	-0.4351281056	 0.112973
+O	-2.230797834	 2.8784713702	 0.8367041511	-0.270221
+C	-1.0334994306	 2.1734570081	 1.1751912256	-0.123534
+C	-1.6546005127	 1.4693395403	-1.0410082606	-0.159968
+H	 1.6023576316	 1.4813572845	 0.331959396	 0.286865
+H	 0.0765726178	-0.7551959901	-0.4281531604	 0.113585
+H	 0.4512392457	-0.3002405235	 1.2368738783	 0.090073
+H	-2.2864969308	-0.9116063384	 0.2808463674	 0.101685
+H	-2.8248968082	 0.2312594634	 1.5431883773	 0.099269
+H	-3.8747519935	 0.6465687855	-1.1885665979	 0.083809
+H	-3.1554860784	 3.1519088612	-1.0223765651	 0.102632
+H	-0.1547261765	 2.8074991745	 0.9722249067	 0.077247
+H	-1.0608355237	 1.9385301423	 2.2453376727	 0.104783
+H	-1.17713136	 1.5359919254	-2.0090610828	 0.096418
+19
+0 5194	3.292317	1.4867234	1.2946446	2.3297	73.23	-0.22962	0.07066	0.30028	1029.0905	0.158437	-422.530613	-422.523017	-422.522073	-422.562516	30.229
+O	 1.4473550989	 0.767965683	 0.0818701574	-0.419815
+C	 0.1206606473	 0.2877930331	 0.1962058945	-0.155594
+C	-0.7763692633	 0.9543397757	-0.8210549616	 0.406965
+C	-0.5223890251	 0.7133085999	-2.3067702638	-0.234646
+C	-1.6633682059	 1.5154575488	-2.9943935691	-0.236658
+C	-2.6774925025	 1.759575036	-1.8736807803	-0.087012
+C	-2.1521454927	 2.4497378369	-0.6305035766	 0.097171
+O	-0.7236810842	 2.425826223	-0.6178931649	-0.357989
+C	-2.3121175574	 0.9645366989	-0.6335400947	-0.218313
+H	 1.3856775992	 1.7290422725	 0.1469931523	 0.296576
+H	 0.1541212399	-0.7938471489	 0.0240924477	 0.107453
+H	-0.2851747789	 0.4584589704	 1.2051113308	 0.091607
+H	 0.4770808272	 1.0442871844	-2.5969532903	 0.115846
+H	-0.6028823635	-0.3584250089	-2.5238087596	 0.09748
+H	-1.2936093683	 2.4589844177	-3.4061272629	 0.111352
+H	-2.1153426003	 0.9538279757	-3.816523168	 0.100284
+H	-3.726632123	 1.9112187182	-2.1033856119	 0.088966
+H	-2.6532843476	 3.2450467173	-0.0909909708	 0.101567
+H	-2.9293725396	 0.2826876763	-0.0651222381	 0.09476
+19
+0 5195	3.5983648	1.3639815	1.3170635	0.5662	73.85	-0.23977	0.06957	0.30934	1053.7648	0.157522	-422.516833	-422.509315	-422.508371	-422.548784	29.811
+C	 1.2324515658	 1.1036238701	 0.3024782348	-0.383687
+C	 0.808417828	-0.327644967	-0.0511404674	-0.310081
+C	 1.6418185835	-0.9475515848	-1.1376191461	 0.39841
+C	 3.1690880779	-1.1559670987	-1.0142598155	-0.246245
+C	 3.2125929854	-2.0898772894	-2.2344153461	 0.021024
+O	 2.4096583893	-3.2170713685	-1.7676259651	-0.296581
+C	 1.2995240372	-2.3290881393	-1.8876196233	 0.003265
+C	 1.9344510429	-1.509172045	-3.0069468551	 0.064053
+O	 1.5765930281	-0.2560887859	-2.4365310269	-0.330924
+H	 0.5640570929	 1.53102475	 1.0554937349	 0.113793
+H	 2.2503117998	 1.1314114045	 0.703872226	 0.119307
+H	 1.2020739036	 1.7432796217	-0.5839042048	 0.139373
+H	 0.8701096413	-0.974339889	 0.8332338885	 0.107935
+H	-0.2399761625	-0.3327046523	-0.3725060696	 0.10723
+H	 3.7039458545	-0.21249577	-1.136086282	 0.11113
+H	 3.4947600974	-1.6802055103	-0.1136277241	 0.109529
+H	 4.1545565821	-2.3777728983	-2.6963469555	 0.085971
+H	 0.3073275097	-2.7743260608	-1.8355293863	 0.09166
+H	 1.8156555331	-1.608862677	-4.0839034064	 0.094839
+19
+0 5196	3.2861566	1.4531915	1.4021302	2.0938	74.01	-0.22633	0.08228	0.30861	1015.5371	0.157965	-422.50623	-422.498799	-422.497855	-422.538054	29.526
+C	 1.352534881	-0.1128585679	-0.0482896464	-0.260669
+O	-0.0562140268	-0.089341753	 0.0544722362	-0.29867
+C	-0.5691332017	 0.6282244144	 1.119548106	 0.405819
+C	-0.2605362464	 2.1285198117	 1.4151591357	-0.327136
+C	-0.780915209	 1.7853054706	 2.8204191223	-0.076834
+C	-2.1226836564	 0.9533979599	 2.7018893462	 0.066539
+C	-2.1055589429	 0.6052008371	 1.2057738613	-0.267266
+O	-1.4683730971	-0.2202934032	 3.2781782208	-0.293597
+C	-0.2865867142	 0.3314974158	 2.6902500352	 0.034902
+H	 1.8215034945	-0.5538932841	 0.8425306078	 0.110244
+H	 1.5950667614	-0.7327716151	-0.9141769443	 0.130724
+H	 1.7717519251	 0.8907234971	-0.2044440125	 0.111951
+H	 0.8094656383	 2.352265487	 1.4549902632	 0.101159
+H	-0.7744892007	 2.8801297385	 0.809752451	 0.099954
+H	-0.6212697323	 2.3988285719	 3.7036149533	 0.081742
+H	-3.0539213419	 1.2258383129	 3.1960737323	 0.082043
+H	-2.5331416044	-0.3827485138	 1.0274430497	 0.115351
+H	-2.571563431	 1.3454678189	 0.5505621688	 0.098805
+H	 0.6603483743	-0.0806039086	 3.0354211135	 0.084935
+19
+0 5197	3.2394224	1.4043569	1.3709104	2.0759	74.18	-0.23412	0.07246	0.30657999999999996	1024.3704	0.158473	-422.520637	-422.513177	-422.512233	-422.552429	29.762
+O	 1.1919894402	 0.7972647729	 0.1622190585	-0.425567
+C	 0.0962887239	-0.0870189641	-0.0481911037	-0.213816
+C	-0.9897589873	 0.6803693495	-0.7474159909	 0.315675
+C	-0.7437586203	 1.4539392966	-2.0739243743	-0.290182
+C	-1.9483849709	 2.2977069709	-1.6305095589	-0.082484
+C	-3.1037881029	 1.3338012556	-1.1401384881	 0.068153
+C	-2.341532583	-0.0031868689	-1.0465273972	-0.274439
+O	-2.9636994803	 1.8298678271	 0.2260505748	-0.297613
+C	-1.6001573251	 2.0481377116	-0.1503594854	 0.080679
+H	 1.885643084	 0.3136162863	 0.619777919	 0.288639
+H	 0.3993812938	-0.9552572562	-0.6572883292	 0.086181
+H	-0.2891541746	-0.4768738155	 0.9080390036	 0.091202
+H	 0.1782858547	 2.0387249336	-2.040978088	 0.117534
+H	-0.7946867186	 0.8859050266	-3.0079678793	 0.089249
+H	-2.2212595938	 3.2702880067	-2.0354011906	 0.075781
+H	-4.1250048583	 1.3611447273	-1.5175478647	 0.078719
+H	-2.7381178078	-0.6094919036	-0.2286809793	 0.104038
+H	-2.3231492967	-0.5891250787	-1.9698141505	 0.094827
+H	-1.0032575772	 2.6697611523	 0.5132045742	 0.093426
+19
+0 5198	2.9576984	1.659878	1.4119881	2.1133	74.31	-0.25001	0.08545	0.33546	981.6741	0.158648	-422.522764	-422.515491	-422.514547	-422.5543	29.527
+O	 1.4273958542	 0.8911294821	 0.1234953212	-0.419778
+C	 0.470169498	-0.0662102549	 0.5376360477	-0.181158
+C	-0.8322601269	 0.5917267821	 0.9032528759	 0.399294
+C	-2.1062286394	-0.1212629502	 1.4130870553	-0.289705
+C	-2.7483037736	 1.2374090304	 1.0960755167	-0.070111
+C	-1.8040802848	 2.3455311691	 1.7303494517	 0.080234
+C	-1.5645646539	 2.9227452647	 0.3180908713	-0.24379
+C	-1.7345724278	 1.4528082012	-0.0864942721	-0.089486
+O	-0.6141083425	 1.5681992587	 1.9505620213	-0.317384
+H	 1.4225736201	 1.5730961409	 0.8060349084	 0.290326
+H	 0.3206020335	-0.756822255	-0.2984067396	 0.108931
+H	 0.8293315269	-0.6556183738	 1.3977946565	 0.094357
+H	-2.4652583519	-0.8905075922	 0.7234543068	 0.101914
+H	-2.0852605799	-0.4946566037	 2.4399637535	 0.101826
+H	-3.8177829699	 1.4266844594	 1.028805975	 0.075963
+H	-2.0498090841	 2.9421071097	 2.6073067538	 0.080158
+H	-2.4041750674	 3.5267179883	-0.037335849	 0.100605
+H	-0.6149325911	 3.4332993191	 0.1415963374	 0.101382
+H	-1.8861916095	 1.089846704	-1.1010346216	 0.076422
+19
+0 5199	3.5877271	1.3710839	1.3325062	2.0947	73.84	-0.24469	0.0692	0.31389	1033.1608	0.158736	-422.524235	-422.51689	-422.515946	-422.555959	29.577
+O	 1.7230242256	 0.2445269249	-0.4983483123	-0.416908
+C	 0.3914654539	 0.2039348488	-0.0145432346	-0.183078
+C	-0.5940911584	 0.4509364223	-1.1234399195	 0.399952
+C	-0.557817391	 1.7394375034	-1.9726217743	-0.232842
+C	-1.8872573418	 1.4243900629	-2.6879751511	-0.090931
+C	-2.893849859	 1.4729219547	-1.5069842926	-0.254693
+C	-2.1586791099	 0.211098916	-1.0278143737	-0.131704
+C	-1.8375083746	-0.1682450731	-2.4876828401	 0.117573
+O	-0.4969312604	-0.5645162377	-2.1884393846	-0.344718
+H	 1.7643364413	-0.3766721823	-1.2349996534	 0.29757
+H	 0.1664655313	-0.7603282285	 0.4667659331	 0.093865
+H	 0.3035425152	 0.9876377387	 0.7458022605	 0.111815
+H	-0.6008263723	 2.6656020196	-1.3927840063	 0.096293
+H	 0.3236025365	 1.7478560064	-2.6146260844	 0.109121
+H	-2.0960584623	 1.8946072664	-3.6469727027	 0.069388
+H	-2.8975655952	 2.369145892	-0.8798619433	 0.097293
+H	-3.9173360218	 1.231181832	-1.8082232185	 0.10234
+H	-2.5257007575	-0.4908503215	-0.2804884497	 0.074506
+H	-2.3995342796	-0.836252015	-3.1383396824	 0.08516
+19
+0 5200	3.6089846	1.2034512	1.0688857	2.193	75.14	-0.23692	0.06752	0.30444	1186.1883	0.155796	-422.471227	-422.462815	-422.461871	-422.50419	32.091
+C	-0.235182865	-0.0081330769	-0.1105855479	-0.418711
+C	 1.2845652248	-0.0464188901	-0.179353053	-0.018461
+C	 2.0810935516	-0.4694487207	 1.0797827681	-0.164919
+C	 1.9815353323	 0.9582864427	 1.7102451867	 0.078997
+O	 3.4131701407	 1.0859203822	 1.9610001091	-0.379736
+C	 3.3146587823	 0.3946767323	 0.6662072639	 0.457724
+C	 4.6112835733	 0.073612478	-0.0094423634	-0.205623
+O	 5.3600265222	 1.2518244641	-0.2441743446	-0.415069
+C	 2.0842426734	 1.2297399488	 0.1786007795	-0.140154
+H	-0.5874346737	 0.4750739349	 0.8070064691	 0.114652
+H	-0.6529562102	 0.5447865927	-0.9589052385	 0.120144
+H	-0.6563662656	-1.0190404748	-0.1369138854	 0.118911
+H	 1.6189558715	-0.535510756	-1.101612232	 0.072218
+H	 2.1020642888	-1.4191617496	 1.6157905291	 0.080913
+H	 1.2939312379	 1.354091496	 2.4556950119	 0.097953
+H	 5.1692591242	-0.6465273412	 0.6104595099	 0.100532
+H	 4.4247110951	-0.3950584757	-0.9816617614	 0.117903
+H	 5.347602294	 1.7501470477	 0.5819344667	 0.296313
+H	 2.1159375323	 2.2027521155	-0.3115333479	 0.086412
+19
+0 5201	2.4859395	1.6237197	1.1798938	2.2876	74.93	-0.22691	0.0711	0.29801	1096.2733	0.155526	-422.475836	-422.467375	-422.46643	-422.508817	32.35
+C	-1.6541465441	-5.4983380414	-1.3814818452	-0.381545
+C	-1.679145067	-4.4293503467	-2.4801794899	-0.331727
+C	-0.3091294994	-3.9529170078	-2.8494743507	 0.507127
+O	 0.6680544143	-4.9263554675	-3.3572061978	-0.365053
+C	 1.3791590786	-3.6576734591	-3.3592201175	 0.068948
+C	 0.1563120933	-2.8142082106	-3.8265411469	-0.172329
+C	 0.3400166526	-1.8161673993	-2.6791574507	 0.093583
+O	-0.8640751983	-1.2142973052	-2.2540595034	-0.43551
+C	 0.764144039	-3.1482650458	-2.0236283432	-0.193775
+H	-1.0390775022	-6.3498268552	-1.6849371875	 0.138352
+H	-1.2374343555	-5.0988417036	-0.4510552141	 0.113982
+H	-2.6638655516	-5.8611747938	-1.1690247766	 0.111574
+H	-2.1570162657	-4.8297512167	-3.3829709136	 0.109924
+H	-2.2582639692	-3.5543029302	-2.1680569568	 0.126073
+H	 2.4114437726	-3.6353552011	-3.7044713528	 0.093881
+H	-0.1802775307	-2.6487479336	-4.8494147326	 0.083516
+H	 1.1370633832	-1.0722346456	-2.8129118702	 0.068851
+H	-0.6861268441	-0.716994983	-1.44967424	 0.285232
+H	 1.1186051239	-3.3634625937	-1.0152819106	 0.078896
+19
+0 5202	2.3435596	1.8447104	1.2354921	2.471	75.4	-0.24748	0.08198	0.32946	1051.1047	0.156712	-422.478432	-422.470306	-422.469362	-422.510991	31.432
+C	 1.2484853878	 0.079724235	-0.1532112708	-0.268994
+O	-0.1521311051	 0.1548376921	 0.0669627847	-0.305124
+C	-0.4996801205	 0.7050341108	 1.2878050292	 0.430143
+C	-0.1689392366	 0.2387322378	 2.7202511066	-0.330181
+C	-1.0990864185	 1.4645445252	 2.8800425428	-0.064081
+C	-1.9746477603	 1.071067966	 1.6399946236	-0.155164
+C	-1.833383937	 2.4778281729	 1.01873473	 0.149962
+O	-1.9118227647	 2.6205384343	-0.3738509466	-0.455291
+C	-0.4562739776	 2.237516216	 1.6805688669	-0.1647
+H	 1.7371079615	-0.5531132023	 0.5990019993	 0.121544
+H	 1.3926788659	-0.3639122338	-1.1401996764	 0.133352
+H	 1.7126750015	 1.0751148782	-0.1328385955	 0.118183
+H	-0.5745122139	-0.7299071882	 3.0285634506	 0.099071
+H	 0.8619824256	 0.3611462351	 3.0666819964	 0.094914
+H	-1.469345373	 1.9179330835	 3.7957609454	 0.086168
+H	-2.8183031992	 0.3793763646	 1.6403397621	 0.075493
+H	-2.4511199096	 3.2688059277	 1.4545685138	 0.078072
+H	-1.4182762493	 1.8877787695	-0.7643071896	 0.285751
+H	 0.4244632131	 2.8796080254	 1.7283689276	 0.07088
+19
+0 5203	2.3587398	1.6703961	1.1629126	2.6544	75.73	-0.253	0.07392	0.32692	1088.4021	0.156645	-422.484922	-422.476565	-422.475621	-422.517737	32.127
+O	 1.3969106684	 0.5694842309	-0.1149473661	-0.414781
+C	 0.1826460468	-0.1538669353	-0.2775241201	-0.213172
+C	-0.9457504156	 0.7282291407	-0.7424811276	 0.35341
+C	-1.5076197316	 1.9883500077	-0.0377612316	-0.328129
+C	-2.3551618256	 1.8540699884	-1.3142980406	-0.057921
+C	-2.3808122849	 0.2887341021	-1.2277900571	-0.150395
+C	-1.9233531064	 0.1695865098	-2.6966318818	 0.112119
+O	-1.1339552515	-0.9315626728	-3.0881333671	-0.437707
+C	-1.1338487075	 1.370807964	-2.1700659506	-0.096565
+H	 1.2441310588	 1.2449878843	 0.5536819014	 0.281572
+H	 0.3795639644	-0.9232051618	-1.0275014599	 0.131964
+H	-0.1058490483	-0.6601666269	 0.6594203724	 0.078172
+H	-2.0234151332	 1.8324694625	 0.9163287728	 0.089181
+H	-0.8461154507	 2.8600514208	 0.0193550125	 0.090452
+H	-3.169958639	 2.4861747644	-1.6686389205	 0.071905
+H	-3.0973706842	-0.3130269344	-0.6646491704	 0.06621
+H	-2.6922733341	 0.3990258669	-3.4494620563	 0.061705
+H	-1.7186581212	-1.672698895	-3.274843196	 0.283346
+H	-0.4145760844	 2.0036221939	-2.6901047535	 0.078634
+19
+0 5204	3.9136394	1.1334383	1.0888435	2.0065	74.78	-0.23296	0.06506	0.29802	1194.6498	0.156225	-422.492707	-422.48427	-422.483326	-422.525791	32.095
+C	 1.2813300002	-0.5569454156	-1.0729456481	-0.408422
+C	 0.9876191295	 0.0847300217	 0.277071723	 0.005641
+C	 1.8920174705	-0.3913639008	 1.4190958265	-0.150042
+C	 2.9128962116	 0.7152203684	 1.1439007215	-0.220479
+C	 1.6818219497	 1.4587404718	 0.4999910406	 0.058811
+O	 1.2091589229	 1.8742136942	 1.8128111595	-0.340598
+C	 2.0383509745	 0.8287132734	 2.3454682429	 0.448315
+C	 2.268596527	 0.8100607581	 3.8182562374	-0.193764
+O	 1.0875775148	 0.4978971229	 4.5404112739	-0.412723
+H	 0.9477656268	-1.599466301	-1.0945487755	 0.120132
+H	 0.7633161745	-0.026291765	-1.8794670531	 0.114995
+H	 2.3545077864	-0.5467493367	-1.2928987664	 0.116756
+H	-0.0895439381	 0.1014554832	 0.4801067575	 0.073096
+H	 2.0763705319	-1.4015158075	 1.7637879628	 0.093104
+H	 3.9833263275	 0.7260236813	 0.9928921962	 0.100218
+H	 1.6775092155	 2.2564899317	-0.2410517019	 0.085313
+H	 3.004219255	 0.0369387911	 4.0638390192	 0.115088
+H	 2.6837187573	 1.7802788269	 4.1323374992	 0.100338
+H	 0.4110808824	 1.1199043819	 4.2505613149	 0.294223
+19
+0 5205	2.9087081	1.4137505	1.2343941	2.2472	74.1	-0.23486	0.07356	0.30842	1097.1018	0.15665	-422.505183	-422.496989	-422.496045	-422.537968	31.715
+C	 1.3165679998	-0.6779430591	 0.9998924554	-0.380509
+C	 0.9846104563	 0.066631366	-0.300396354	-0.309365
+C	 1.6413479589	-0.548048038	-1.4919788774	 0.495969
+O	 3.0857741631	-0.5694544031	-1.5548001513	-0.347275
+C	 2.9344936164	-0.9157238444	-2.9647741116	 0.000539
+C	 1.4529450572	-0.4206065777	-2.9663293696	-0.223834
+C	 1.1442162558	-1.7629606159	-2.2882729239	-0.226044
+C	 2.418191774	-2.3795761377	-2.8784841945	 0.183331
+O	 3.1753634297	-3.2844392939	-2.1345850525	-0.445542
+H	 0.9705336334	-1.715511485	 0.9582954631	 0.122274
+H	 2.3968184409	-0.6900059388	 1.1706507426	 0.135048
+H	 0.8425160156	-0.1939378604	 1.8583931703	 0.114282
+H	-0.0983430519	 0.0732706409	-0.4722864466	 0.108193
+H	 1.2986855287	 1.1143846593	-0.2218621732	 0.11333
+H	 3.7718552995	-0.6006626309	-3.5832394212	 0.087355
+H	 0.8688398638	 0.2306332434	-3.599953607	 0.102914
+H	 0.1798872979	-2.2243911125	-2.1169504698	 0.091742
+H	 2.2370061662	-2.8080554549	-3.8672224736	 0.093391
+H	 3.4808117145	-2.7845036172	-1.3648723853	 0.284199
+19
+0 5206	3.807044	1.1729936	1.0880963	1.0757	75.09	-0.2384	0.08034	0.31874	1170.8476	0.156298	-422.491175	-422.48281	-422.481866	-422.523959	32.104
+C	 1.4089048682	 0.1644348084	 0.0227399102	-0.260272
+O	 0.0096665777	-0.0180483386	 0.1757060015	-0.283747
+C	-0.5023831909	 0.5869540758	 1.2954094896	 0.449101
+C	-0.3875408378	 0.1174906446	 2.746979865	-0.312885
+C	-1.5674316355	 1.0948822368	 3.0106091274	-0.109264
+C	-1.9170884331	 1.0433647642	 1.4628876189	-0.194131
+C	-0.8194850057	 2.0984773918	 1.3164582177	-0.18687
+C	-0.9604630263	 2.5110561674	 2.7790724503	 0.161283
+O	-1.851776928	 3.5807850732	 3.0033564056	-0.445245
+H	 1.9680655896	-0.277323594	 0.8588842785	 0.115642
+H	 1.6960679168	-0.3404320187	-0.901850652	 0.129148
+H	 1.6680883976	 1.229602406	-0.0485025718	 0.113107
+H	-0.6905950993	-0.9290951638	 2.8432278623	 0.106009
+H	 0.542322746	 0.2909240744	 3.3012148396	 0.090794
+H	-2.2632420473	 0.9324617195	 3.8308494122	 0.078958
+H	-2.8080545099	 0.8304671944	 0.8911375471	 0.100373
+H	-0.6052489109	 2.7161994019	 0.4526923059	 0.090755
+H	-0.0571076699	 2.7578490865	 3.347558227	 0.078779
+H	-2.6128025012	 3.4477862202	 2.4250961549	 0.278465
+19
+0 5207	3.6916477	1.1162074	1.0382914	2.0366	74.82	-0.24509	0.06186	0.30695	1202.7198	0.156942	-422.506021	-422.497619	-422.496675	-422.539013	32.304
+O	 0.5847901165	 1.1536733662	 0.1300878242	-0.412166
+C	 0.2275488397	-0.1421425207	 0.5971529232	-0.188407
+C	-1.0697531475	-0.1700869588	 1.3473823785	 0.320461
+C	-1.3188983581	 0.2733849331	 2.7964954434	-0.302619
+C	-2.6612068162	-0.4898427768	 2.686604034	-0.106296
+C	-2.0481421849	-1.3162192966	 1.4771728925	-0.165931
+C	-2.4206710798	-0.1151263054	 0.6231169782	-0.147742
+C	-3.472558556	 0.3285657439	 1.6389137675	 0.161385
+O	-4.7688831894	-0.1607391071	 1.379578817	-0.446175
+H	 0.6684944299	 1.7281696261	 0.8977513878	 0.283364
+H	 0.1539517359	-0.7684104888	-0.2990768181	 0.108966
+H	 1.0265213288	-0.5685305732	 1.2256868305	 0.087625
+H	-0.616865142	-0.214706646	 3.4802503056	 0.098046
+H	-1.3714317826	 1.3448446031	 3.0283938738	 0.087679
+H	-3.1684824848	-0.8941603997	 3.5603207935	 0.075828
+H	-1.940082035	-2.3682403918	 1.2547474476	 0.093184
+H	-2.4680443696	-0.0430073988	-0.4566576202	 0.094068
+H	-3.5957640544	 1.3986992414	 1.8375303965	 0.080491
+H	-4.6792371407	-1.0752757702	 1.0850866743	 0.278239
+19
+0 5208	4.085115	1.1737984	1.0937324	2.3791	75.	-0.2298	0.06425	0.29405000000000003	1170.7552	0.155904	-422.497017	-422.48853	-422.487586	-422.529926	32.549
+C	 4.9797239211	-3.496869366	 1.9814448929	-0.506929
+C	 3.9141854345	-2.8106764947	 1.1819147769	 0.281976
+C	 2.3997006459	-3.035361586	 1.2201205904	-0.307104
+C	 2.3107685273	-1.7460228059	 0.3627489166	 0.413099
+C	 1.0641885568	-0.9385994694	 0.1548270159	-0.188702
+O	 0.0900911957	-1.6983095263	-0.5390269618	-0.416716
+O	 2.9076233921	-2.1699639263	-0.9136304461	-0.34867
+C	 4.1509981938	-2.202707504	-0.2140291138	 0.060609
+C	 3.7271062419	-1.3151783212	 0.9059704235	-0.267754
+H	 4.7908942651	-3.413022109	 3.0577011896	 0.122055
+H	 5.0331625631	-4.5632602339	 1.7337144664	 0.126287
+H	 5.9658239208	-3.0614312218	 1.7848659262	 0.119267
+H	 1.9808858547	-3.9437992174	 0.7766949008	 0.100569
+H	 1.9999662636	-2.8780053521	 2.2261531714	 0.100027
+H	 0.6281322802	-0.6625059484	 1.1207151564	 0.111796
+H	 1.3158410727	-0.0109100962	-0.3824049467	 0.097213
+H	 0.5194862369	-2.0295333502	-1.3368016897	 0.299209
+H	 5.0723985792	-2.2816260488	-0.7766631683	 0.10595
+H	 4.1292493446	-0.4154425925	 1.3514851795	 0.097819
+19
+0 5209	3.4682017	1.295334	1.1385002	2.3953	75.11	-0.23071	0.06751	0.29822	1135.3649	0.155954	-422.501153	-422.4927	-422.491756	-422.534014	32.53
+C	 3.9881848835	-4.2926187641	 2.0715962014	-0.505951
+C	 3.4255688582	-3.2967573469	 1.1170021015	 0.488004
+O	 2.004153474	-3.2295158519	 0.9375858276	-0.379224
+C	 2.2339695307	-1.9570902139	 0.2407990353	 0.413624
+C	 1.0468557222	-1.0456309634	 0.3384154288	-0.187694
+O	-0.0952850892	-1.653888134	-0.2389489898	-0.417087
+C	 2.8928396016	-2.4159870876	-1.0882971126	-0.262691
+C	 4.0678889318	-2.8317854156	-0.2050287647	-0.161922
+C	 3.6644745629	-1.8418773327	 0.8907357562	-0.27865
+H	 3.7654734381	-5.3132918363	 1.7426888648	 0.13385
+H	 5.0751799254	-4.18444162	 2.1326197609	 0.127337
+H	 3.5700878869	-4.1551819592	 3.0736923226	 0.13102
+H	 0.8771227708	-0.7795624647	 1.3935700223	 0.095735
+H	 1.2334798457	-0.1207364639	-0.2174537338	 0.111506
+H	-0.1815235953	-2.5204681295	 0.1760074817	 0.298791
+H	 2.3539879533	-3.1768919029	-1.659544792	 0.103019
+H	 3.1492460396	-1.5643184014	-1.7242286712	 0.102764
+H	 5.0685805427	-3.1253851852	-0.4967687289	 0.089634
+H	 4.1957549671	-1.0689297967	 1.42897849	 0.097934
+19
+0 5210	4.0157645	1.1784076	1.0944588	0.5329	74.6	-0.21659	0.07293	0.28952	1170.7881	0.155436	-422.496326	-422.487829	-422.486885	-422.529148	32.914
+C	 1.3656276928	 0.8872727804	 0.4418670051	-0.383622
+C	 0.8949838451	-0.4896290906	-0.0428571891	-0.305551
+C	 1.6251276721	-0.942857396	-1.2724474993	 0.443209
+C	 1.544949264	-0.2265679121	-2.6552882067	-0.338239
+C	 2.0506281538	-1.5594666817	-3.2086189711	 0.331452
+O	 2.0531949036	-2.0080833448	-4.5106456851	-0.456407
+C	 3.0033874024	-2.0934811881	-2.1171458491	 0.018996
+O	 3.0740980788	-1.1195973576	-1.080885	-0.333484
+C	 1.5329186541	-2.3360762942	-2.0121275727	-0.263844
+H	 0.8474553108	 1.1734668522	 1.3614730066	 0.113084
+H	 2.4402671155	 0.8760318383	 0.642913599	 0.141074
+H	 1.1706717977	 1.6604390583	-0.3082980074	 0.119536
+H	 1.0471975351	-1.2367261632	 0.7447772418	 0.110864
+H	-0.1792128534	-0.4727648952	-0.264092524	 0.102987
+H	 0.5096583849	-0.0440666827	-2.9557263607	 0.105916
+H	 2.1543626481	 0.6749771648	-2.7761167026	 0.094127
+H	 2.8377961131	-1.6619652572	-4.9510079107	 0.289349
+H	 3.8391793116	-2.7573266481	-2.2975410473	 0.107297
+H	 0.9143416199	-3.2156001824	-1.9013080367	 0.103257
+19
+0 5211	3.8207612	1.2305877	1.1136897	2.1083	75.22	-0.23705	0.07931	0.31636000000000003	1142.5445	0.155804	-422.49418	-422.485749	-422.484805	-422.526855	32.669
+C	 1.5010145973	-0.0651093611	 0.0337291999	-0.266451
+O	 0.08787735	 0.0023301843	 0.0693070511	-0.292446
+C	-0.4084344293	 0.6675710048	 1.170597858	 0.432582
+C	-0.2578743409	 2.2115207945	 1.353422785	-0.302315
+C	-1.5849289706	 2.1142466418	 2.1041651558	-0.139675
+C	-1.9576428797	 0.8079997731	 1.4247438637	-0.209874
+C	-1.5900260367	 0.7786361203	 2.8773212982	 0.400261
+O	-2.4646358133	 0.541498659	 3.9169157064	-0.461778
+C	-0.2497456184	 0.0927417355	 2.6191773764	-0.370689
+H	 1.9036163618	-0.5998692876	 0.9057808991	 0.114529
+H	 1.7718949259	-0.6103706728	-0.8726954856	 0.129872
+H	 1.9558119732	 0.9351186824	-0.0032401761	 0.113531
+H	 0.6263506433	 2.5878910168	 1.8809372685	 0.084262
+H	-0.376188617	 2.7306729616	 0.397522434	 0.104299
+H	-2.2628031038	 2.9085252649	 2.3898443414	 0.088517
+H	-2.830393595	 0.4897002817	 0.8754490261	 0.101828
+H	-2.1854723535	 1.0675415204	 4.6746496305	 0.284682
+H	 0.6279211332	 0.3899296836	 3.2056424069	 0.080461
+H	-0.3634339867	-0.9948033032	 2.6182680305	 0.108405
+19
+0 5212	3.7677996	1.1656767	1.0617719	2.0377	74.88	-0.24202	0.06296	0.30498000000000003	1169.8456	0.156445	-422.506227	-422.497781	-422.496836	-422.538976	32.874
+O	 1.2606630517	 1.0280546945	-0.1341374667	-0.415442
+C	 0.4191305534	 0.0295298481	 0.4294280094	-0.189904
+C	-0.8641221397	 0.60296783	 0.9688709421	 0.307102
+C	-0.8767044752	 1.5048397587	 2.2458977268	-0.293274
+C	-2.3058310639	 1.0141241213	 2.4423121715	-0.134334
+C	-2.06649617	-0.22423106	 1.5960193173	-0.199447
+C	-2.9369031381	 0.8627144893	 1.0407680921	 0.403131
+O	-4.3025452865	 0.7753284844	 0.8672226402	-0.465078
+C	-1.8908352379	 1.2962541471	 0.0195568946	-0.33303
+H	 1.4872013875	 1.6478029014	 0.5669032325	 0.286192
+H	 0.207731697	-0.6736018742	-0.3839574543	 0.111105
+H	 0.9406608313	-0.5340577761	 1.2208445062	 0.085809
+H	-0.2070366189	 1.1156865967	 3.0210376983	 0.095244
+H	-0.6994420067	 2.5791440897	 2.1104873787	 0.085885
+H	-2.9420980817	 1.0908710368	 3.3153098584	 0.085825
+H	-2.235903057	-1.2751471298	 1.7786653206	 0.096387
+H	-4.6863245838	 1.6445167402	 1.0287118862	 0.285018
+H	-2.0027222434	 0.7422769903	-0.9169921937	 0.103673
+H	-1.7471494682	 2.3621992116	-0.1908686202	 0.085137
+19
+0 5213	2.4536019	1.592122	1.4054948	1.8782	75.21	-0.23662	0.0706	0.30722	1034.0773	0.155617	-422.477026	-422.468504	-422.46756	-422.509957	32.516
+C	 1.9612654666	-4.1841739104	 0.2735605873	-0.517837
+C	 0.5193849434	-3.7709550989	 0.3217232105	 0.269008
+C	-0.6178972948	-3.9602585204	-0.7111372832	-0.326966
+C	-1.3253646733	-3.2059706413	 0.4350187569	-0.155463
+C	-0.4735943956	-3.9290691096	 1.520021213	 0.045796
+O	-0.0526765258	-2.7048003029	 2.1956131512	-0.378767
+C	-0.0502460114	-2.3704612016	 0.7628753568	 0.421996
+C	 0.3849179995	-0.9826420454	 0.4085222411	-0.20954
+O	 1.6975477226	-0.7336839922	 0.8805380531	-0.415479
+H	 2.468122229	-3.8889376242	 1.1975855273	 0.130577
+H	 2.0582779374	-5.2693424537	 0.1592142989	 0.117416
+H	 2.4821009069	-3.708068013	-0.5631780735	 0.129587
+H	-0.512597733	-3.4264993818	-1.6602200313	 0.100019
+H	-0.9452542901	-4.9885110773	-0.8908502837	 0.097862
+H	-2.3602088758	-2.8786264488	 0.5310568911	 0.083687
+H	-0.7092447411	-4.8031634244	 2.1272733662	 0.092879
+H	 0.4011764982	-0.8592000497	-0.6798243084	 0.117165
+H	-0.3381895656	-0.2591296805	 0.8179007237	 0.101382
+H	 1.7097048729	-1.0097898437	 1.8048235129	 0.296678
+19
+0 5214	2.4118883	1.5530518	1.38629	2.5574	75.21	-0.22765	0.06151	0.28916	1046.2052	0.15523	-422.476386	-422.467665	-422.466721	-422.509683	32.812
+C	 1.5965963969	-4.3384344241	 0.2048817701	-0.521221
+C	 0.4213881786	-3.6892480943	 0.8590902897	 0.43856
+O	-0.8994312533	-3.789944688	 0.2249717088	-0.362323
+C	-1.1300944192	-2.9993319365	 1.4244014206	 0.034397
+C	-0.1406936848	-3.8023671214	 2.3167913594	-0.137534
+C	 0.5947799944	-2.5241243625	 2.7743272117	-0.345275
+C	 0.2059419945	-2.1970376074	 1.310909355	 0.250704
+C	 0.4702996302	-0.9767753871	 0.477037414	-0.214699
+O	 1.8601823316	-0.7659675652	 0.2511251295	-0.4131
+H	 2.4983455669	-4.1787392852	 0.8038698999	 0.127794
+H	 1.4320613448	-5.4154336453	 0.1014604202	 0.131512
+H	 1.7662100449	-3.9118250764	-0.7876959454	 0.144277
+H	-2.140274529	-2.6497227172	 1.6373586952	 0.091895
+H	-0.3541989343	-4.7201444937	 2.8648957909	 0.08143
+H	 0.1063139484	-1.9325006552	 3.5544786966	 0.097467
+H	 1.6625486568	-2.6289960926	 2.990346882	 0.096518
+H	 0.020533993	-1.1210427333	-0.5112635879	 0.126072
+H	-0.0016632189	-0.0895716777	 0.9286874702	 0.089296
+H	 2.2689327483	-0.586585067	 1.1039244292	 0.284228
+19
+0 5215	2.4578223	1.579223	1.4020193	0.7027	74.85	-0.2323	0.06937	0.30167	1044.8228	0.155453	-422.481847	-422.473382	-422.472438	-422.514671	32.65
+C	 1.2682085042	 0.7504175789	 0.5080324453	-0.389547
+C	 0.7166816083	-0.5383929691	-0.1167916621	-0.331061
+C	 1.5339453932	-0.9958243537	-1.2845107453	 0.407769
+O	 2.9480614046	-1.3437846494	-1.0758228475	-0.373701
+C	 2.7372104583	-1.5754423812	-2.4989505706	-0.000551
+C	 1.2925021034	-2.1261521804	-2.3365008761	-0.151509
+C	 0.7122331128	-1.143928518	-3.3844295529	-0.321316
+C	 1.8072492801	-0.3263964523	-2.6937216898	 0.342865
+O	 2.1379839831	 0.9738046959	-2.9890406425	-0.466129
+H	 0.6726259001	 1.0530157947	 1.3738224299	 0.114199
+H	 2.300971688	 0.6048766043	 0.8371492328	 0.135901
+H	 1.2544330193	 1.5703506496	-0.2169340468	 0.123769
+H	 0.6860478537	-1.3408883693	 0.6304139753	 0.113945
+H	-0.3146505909	-0.3874126434	-0.4595152299	 0.110942
+H	 3.5647968834	-1.9520119446	-3.099540941	 0.092583
+H	 1.0172263723	-3.1559510955	-2.1228658958	 0.089043
+H	 0.8823930056	-1.3964470162	-4.4342254169	 0.104143
+H	-0.3180506478	-0.8129995219	-3.2289315101	 0.104533
+H	 2.8790621883	 1.2225679716	-2.4222282761	 0.294122
+19
+0 5216	2.4743089	1.5462478	1.3613098	0.6966	75.04	-0.23765	0.0629	0.30055	1066.5539	0.154048	-422.463988	-422.455222	-422.454278	-422.497269	32.96
+C	 1.3142934234	 1.5683906001	-0.0778528434	-0.38414
+C	 0.930663553	 0.0840636282	-0.1315259702	-0.341552
+C	 1.6399693045	-0.6630915896	-1.2152337947	 0.402918
+O	 3.1045927095	-0.7041056577	-1.2368669363	-0.360224
+C	 2.7521018061	-1.503971352	-2.3979583822	-0.005388
+C	 1.4833183333	-2.1243950395	-1.7515808245	-0.02027
+O	 0.5961680711	-1.7542722714	-2.8427149741	-0.355607
+C	 1.5205174757	-0.6221449437	-2.7920558023	 0.375718
+C	 1.3764903856	 0.503662744	-3.7603068386	-0.536358
+H	 0.8135169869	 2.0679886938	 0.7561245209	 0.115937
+H	 2.3938528528	 1.682731539	 0.0512009653	 0.140478
+H	 1.0292386308	 2.0858271734	-0.999219316	 0.11996
+H	 1.1574255704	-0.3978116143	 0.8274456683	 0.116154
+H	-0.1465606306	-0.0359653292	-0.2998459523	 0.11975
+H	 3.5467635962	-1.9449831111	-2.9993584301	 0.099147
+H	 1.3229485377	-3.0696620936	-1.2338136102	 0.09907
+H	 2.1603169718	 1.2449788207	-3.5779948789	 0.141365
+H	 1.4691413652	 0.1417372481	-4.7889545987	 0.136968
+H	 0.4013987966	 0.9884274746	-3.652148602	 0.136075
+19
+0 5217	2.4253102	1.6393515	1.4870341	1.518	75.75	-0.23946	0.07354	0.313	1013.1244	0.155912	-422.480573	-422.472104	-422.47116	-422.513379	32.373
+C	 1.3249287315	-0.1218338237	-0.0258924789	-0.269077
+O	-0.083869662	 0.0633280726	-0.0645637978	-0.301385
+C	-0.6117007717	 0.5354212469	 1.1124381818	 0.422478
+C	-0.6579687162	-0.1206498806	 2.5147596901	-0.340347
+C	-1.4478768544	 1.1985702601	 2.6586027045	-0.12168
+C	-2.0601878789	 1.0965160693	 1.2213795748	-0.109296
+C	-1.6307100499	 2.5295103413	 0.8312174019	-0.336514
+C	-0.478145831	 1.9866888252	 1.7020843501	 0.331901
+O	 0.739050822	 2.5630443336	 2.0194260333	-0.479415
+H	 1.609611751	-0.872022292	 0.724522165	 0.11311
+H	 1.6236295943	-0.4781327968	-1.0140010482	 0.124789
+H	 1.8461601866	 0.8164949125	 0.1984462664	 0.135189
+H	-1.231827808	-1.0481913916	 2.6016278666	 0.093671
+H	 0.2826840787	-0.1854352059	 3.0680867318	 0.101692
+H	-1.955759346	 1.6024693555	 3.5321141596	 0.075365
+H	-2.9675316916	 0.5566664863	 0.9613987346	 0.083561
+H	-1.407586488	 2.7027118126	-0.2247811451	 0.107134
+H	-2.226733435	 3.3481773756	 1.2484322549	 0.084551
+H	 0.577547009	 3.3783640891	 2.5070899746	 0.284273
+19
+0 5218	2.3529543	1.6918004	1.4902435	0.6907	75.27	-0.22777	0.08689	0.31466	1015.2372	0.154892	-422.465931	-422.457276	-422.456331	-422.498982	32.528
+C	 1.4117504421	-0.0512707601	 0.0249976104	-0.256327
+O	-0.0096835938	-0.0772622322	 0.0682197974	-0.286337
+C	-0.559793539	 0.5550331111	 1.1450155423	 0.372951
+C	-2.059530195	 0.575600474	 1.4576802847	-0.344766
+C	-1.4422781836	 1.395341189	 2.6119919904	-0.128846
+C	-0.1582989048	 0.5214756509	 2.6708711059	-0.006695
+O	 0.7575456968	 1.6504177728	 2.5870244077	-0.359922
+C	-0.3440513015	 2.0319910684	 1.6976980869	 0.376655
+C	-0.3089455898	 3.3578286464	 1.0090615258	-0.529688
+H	 1.8463558891	-0.5350172946	 0.9083902315	 0.123598
+H	 1.7055234815	-0.6001646318	-0.8718546227	 0.125713
+H	 1.7969486684	 0.9735528601	-0.0303257744	 0.125765
+H	-2.6964354559	 1.1193179274	 0.7548527398	 0.102941
+H	-2.5112032111	-0.3828606837	 1.7262327166	 0.103277
+H	-1.9240374515	 1.8780972886	 3.4586577041	 0.087733
+H	 0.0871820916	-0.3086329861	 3.3322169907	 0.092083
+H	-0.2672870128	 4.1726122216	 1.7388391833	 0.135483
+H	 0.5652003285	 3.4357189274	 0.3554974302	 0.134442
+H	-1.2069210992	 3.4873793708	 0.3965259793	 0.13194
+19
+0 5219	2.4377445	1.623529	1.4794171	2.0436	75.17	-0.25515	0.05471	0.30985999999999997	1003.9507	0.156844	-422.491517	-422.483307	-422.482362	-422.523938	32.172
+O	 0.5210854366	 1.0805468332	 0.0868418475	-0.417009
+C	 0.2582167895	-0.2274344245	 0.6201752786	-0.229934
+C	-1.0020067925	-0.2106791297	 1.4384597947	 0.273192
+C	-1.2703336907	 0.4155585681	 2.828686129	-0.334262
+C	-2.6582666849	-0.0503280718	 2.3467525961	-0.086594
+C	-2.0802117954	-1.332311183	 1.6498952219	-0.109718
+C	-2.7938011114	-1.0284598857	 0.3138979896	-0.330396
+C	-2.3543184106	 0.3455787126	 0.8642946973	 0.403078
+O	-2.5104522201	 1.6031247666	 0.3185080187	-0.487232
+H	 0.7367105611	 1.6556398416	 0.8288547288	 0.29039
+H	 0.1403732551	-0.877472142	-0.2532410384	 0.119035
+H	 1.1211690089	-0.5970614049	 1.1928641837	 0.09914
+H	-0.8427450788	-0.1009633036	 3.6943027057	 0.088562
+H	-1.1322832379	 1.498086624	 2.9180129279	 0.093111
+H	-3.6237358194	 0.0179826592	 2.8490534546	 0.074932
+H	-1.9142826395	-2.292658461	 2.1341109136	 0.07864
+H	-2.3095207772	-1.3824155372	-0.6023056951	 0.090785
+H	-3.8701048514	-1.2228048979	 0.2798049365	 0.096616
+H	-1.6954844914	 1.7907158359	-0.1662937508	 0.287664
+19
+0 5220	2.9761055	1.4769946	1.3002857	1.3454	74.36	-0.23245	0.07685	0.3093	1061.4697	0.15706	-422.501612	-422.493774	-422.49283	-422.534052	30.277
+C	 1.2856160804	 0.0286788464	 0.9043401512	-0.381037
+C	 0.6815443374	 0.0639684815	-0.5046652077	-0.334771
+C	 1.4853928994	-0.7201157632	-1.4963371803	 0.425167
+O	 2.9000329957	-0.3613327488	-1.7117116024	-0.352269
+C	 2.6750424417	-1.4746464933	-2.6331162666	 0.021303
+C	 1.2724731964	-0.931372901	-3.036376566	-0.14392
+C	 0.3556395341	-2.1313238434	-3.201265099	-0.113182
+O	 0.8193011754	-2.9930195689	-2.1343499245	-0.277841
+C	 1.8558777973	-2.2404121392	-1.5584091127	 0.060024
+H	 1.3033121633	-0.9915522306	 1.3006691842	 0.120165
+H	 2.3133990329	 0.4009635775	 0.8906261424	 0.140573
+H	 0.7036939525	 0.647345313	 1.5932313513	 0.113465
+H	-0.3375514883	-0.3426719144	-0.4957328968	 0.112082
+H	 0.6048754411	 1.1000942845	-0.8571539006	 0.111916
+H	 3.503373167	-1.7985696781	-3.2620889374	 0.092542
+H	 1.1882746069	-0.0704698631	-3.6973562646	 0.085245
+H	-0.7053298288	-1.896809662	-3.0534713765	 0.110065
+H	 0.4704267746	-2.6422904599	-4.16466833	 0.110101
+H	 2.333745561	-2.754919277	-0.7276556137	 0.100373
+19
+0 5221	2.7931038	1.6389091	1.3706777	1.4965	74.92	-0.22516	0.09624	0.3214	1016.7828	0.15782	-422.507349	-422.499625	-422.498681	-422.539736	29.713
+C	 1.3466150685	-0.0672988928	-0.0887661152	-0.26486
+O	-0.0602245522	-0.0996782166	 0.0729628724	-0.295509
+C	-0.5149410682	 0.571712084	 1.1825212301	 0.421697
+C	-0.3047464978	 0.2587402031	 2.6877792504	-0.324591
+C	-1.2722654123	 1.4644925769	 2.6532238671	-0.104089
+C	-2.0291040763	 0.8255955563	 1.4378685047	-0.11872
+C	-2.4354437573	 1.9685646122	 0.5167401911	-0.112778
+O	-1.2845055599	 2.8280857512	 0.6245213566	-0.283165
+C	-0.4465183574	 2.1056693001	 1.5021450848	 0.069226
+H	 1.8621106723	-0.5442952381	 0.7565005667	 0.113265
+H	 1.5752460681	-0.6209043671	-1.001685617	 0.130576
+H	 1.7174751234	 0.9616071303	-0.1921192782	 0.117361
+H	-0.7220546299	-0.6851469749	 3.0457563386	 0.100675
+H	 0.6880491695	 0.439100643	 3.1099586829	 0.092812
+H	-1.7216232882	 1.9834243536	 3.4960812621	 0.083981
+H	-2.7036404396	-0.0167400308	 1.5898729214	 0.0775
+H	-2.5722742304	 1.6530217345	-0.5243804774	 0.111523
+H	-3.3336332319	 2.5023088665	 0.8501502837	 0.100834
+H	 0.4870955996	 2.6360363688	 1.6851684852	 0.084263
+19
+0 5222	2.8204806	1.518692	1.2889688	2.6974	74.59	-0.23613	0.06849	0.30462	1044.9975	0.158276	-422.516694	-422.508965	-422.508021	-422.54903	29.997
+O	 1.2888859773	 0.7548307452	-0.029214198	-0.412281
+C	 0.323734725	-0.1442442835	 0.5005400181	-0.209329
+C	-0.9110292029	 0.5635601346	 0.9900312182	 0.290121
+C	-1.0234407562	 1.6576529884	 2.0840630352	-0.314307
+C	-2.4738034481	 1.4638857873	 1.5902570634	-0.094381
+C	-2.2393880433	-0.083982054	 1.5330126931	-0.1068
+C	-3.0045629975	-0.5924138902	 0.3181244455	-0.113259
+O	-2.7403752924	 0.460918111	-0.625794894	-0.282742
+C	-1.946889409	 1.3543382111	 0.1319291869	 0.120811
+H	 1.5491293612	 1.351338124	 0.6801454083	 0.28387
+H	 0.061805145	-0.8175609696	-0.3232258352	 0.119728
+H	 0.7513071972	-0.7635013308	 1.3065284509	 0.086119
+H	-0.8145820311	 1.3425851701	 3.1100827223	 0.095444
+H	-0.5576265885	 2.6249826487	 1.8695630473	 0.091515
+H	-3.3755188543	 1.9730060606	 1.9313752512	 0.075069
+H	-2.2295687624	-0.6741085467	 2.4501341769	 0.072556
+H	-2.6327360058	-1.5485253902	-0.0702676742	 0.103822
+H	-4.0842871773	-0.6812077066	 0.4925156947	 0.103043
+H	-1.6632668667	 2.2246499406	-0.4576356506	 0.091001
+19
+0 5223	2.9685361	1.4586244	1.2978162	2.3016	74.16	-0.23385	0.06978	0.30363	1051.8435	0.158146	-422.510737	-422.503029	-422.502084	-422.542971	30.181
+O	 1.3289771726	 0.8743330882	 0.082331007	-0.416041
+C	 0.4197789161	-0.0939549815	 0.5722230609	-0.199817
+C	-0.9072121878	 0.5314142561	 0.8825499892	 0.40741
+O	-0.8742662639	 1.634666438	 1.8706434265	-0.367607
+C	-2.2792029637	 1.5215685981	 1.4513263025	 0.044763
+C	-2.2175808154	-0.0336683751	 1.5138364339	-0.087817
+C	-3.1009905731	-0.6239020863	 0.4207413715	-0.249369
+C	-2.8365553454	 0.3972919677	-0.7322092396	-0.250545
+C	-1.8702476557	 1.3487210288	-0.0372070778	-0.061169
+H	 1.266093016	 1.6293048446	 0.6799659655	 0.29566
+H	 0.3059405314	-0.8563670639	-0.2064832024	 0.113731
+H	 0.8035164489	-0.5926149666	 1.4770166394	 0.098716
+H	-2.9980119062	 2.2061418555	 1.9027565072	 0.089787
+H	-2.1544537163	-0.5072956267	 2.4931499554	 0.077668
+H	-2.8071696379	-1.6439041544	 0.1551598745	 0.105352
+H	-4.1536158241	-0.656775511	 0.7179602518	 0.105239
+H	-2.3885394417	-0.0718065523	-1.6135002794	 0.108186
+H	-3.7493671965	 0.902337604	-1.0623770885	 0.104731
+H	-1.4636027673	 2.2096816768	-0.5654040974	 0.081123
+19
+0 5224	3.738522	1.3928001	1.2525262	1.2823	74.51	-0.24188	0.07079	0.31267	1052.3423	0.157114	-422.497192	-422.489514	-422.48857	-422.529196	30.056
+C	 1.5079957755	-0.0834870179	-0.0946982022	-0.26599
+O	 0.099567829	-0.038494831	 0.0279809401	-0.291948
+C	-0.3418206351	 0.6484167992	 1.152232105	 0.430533
+C	-0.1537971112	-0.0003306399	 2.5562318427	-0.306549
+C	-1.5639421493	 0.5120617502	 2.9404432335	 0.103824
+O	-1.5535148836	 1.9233587054	 3.2528101125	-0.306266
+C	-1.6024382491	 2.2710561963	 1.8506183303	 0.103822
+C	-0.2019434654	 2.1996043977	 1.1932054853	-0.306552
+C	-1.879406905	 0.7965203705	 1.4455913876	-0.173036
+H	 1.976666771	-0.5931326455	 0.7596044114	 0.112283
+H	 1.732373419	-0.6428625613	-1.0054988908	 0.128693
+H	 1.9432799413	 0.9227624082	-0.1796177267	 0.112285
+H	-0.1629913285	-1.0908542337	 2.4533093877	 0.106887
+H	 0.6798409232	 0.31353501	 3.1894986803	 0.100245
+H	-2.1703111501	-0.0601294441	 3.6438349139	 0.081421
+H	-2.240255975	 3.1359642095	 1.6636180893	 0.081421
+H	-0.2436067009	 2.5921789553	 0.1714080456	 0.106887
+H	 0.6286392686	 2.6532213596	 1.739881442	 0.100246
+H	-2.6939484843	 0.4057753016	 0.8436919827	 0.081795
+19
+0 5225	3.664213	1.3798038	1.2499511	2.4381	74.27	-0.23969	0.06265	0.30234	1054.703	0.15797	-422.511948	-422.504343	-422.503399	-422.544029	30.061
+O	 1.7124183972	 0.1906494455	-0.0470515416	-0.420208
+C	 0.3022865335	 0.331463341	-0.0795266653	-0.162779
+C	-0.1672335322	 0.5896469145	-1.4875385598	 0.438104
+C	-0.1606947612	-0.5158628461	-2.5717861466	-0.266857
+C	-1.3568560285	 0.1871459356	-3.2708585427	-0.055071
+C	-0.9319433473	 1.4772060061	-4.0245676713	-0.236901
+C	-0.7739873374	 2.1968789004	-2.6667346368	 0.111636
+O	 0.4517516114	 1.8063375395	-2.0028487475	-0.359132
+C	-1.5715629775	 1.0588936963	-1.9707869667	-0.172134
+H	 2.0687611542	 0.9763607274	-0.4792130677	 0.296558
+H	-0.1220120096	-0.6030808386	 0.3028671821	 0.105023
+H	-0.0372333694	 1.1519812991	 0.5729367885	 0.087737
+H	 0.7654057002	-0.6506704611	-3.1356783203	 0.10519
+H	-0.4671272942	-1.4750149134	-2.1411733583	 0.101416
+H	-2.1236156501	-0.4404632729	-3.7233591422	 0.070872
+H	-0.0520154554	 1.438740435	-4.6727160863	 0.102493
+H	-1.7771070996	 1.897344126	-4.5803245719	 0.101678
+H	-0.9548810426	 3.2708216345	-2.5914439262	 0.077951
+H	-2.4736002315	 1.151445141	-1.3715102295	 0.074424
+19
+0 5226	3.6862423	1.3116463	1.1919234	1.5225	74.2	-0.23997	0.06152	0.30149	1078.1387	0.157733	-422.507687	-422.499984	-422.49904	-422.539865	30.236
+O	 1.665423945	 0.5645090353	 0.2526416916	-0.416487
+C	 0.4684940591	-0.1577285004	 0.5139054467	-0.177836
+C	-0.522423413	 0.6452940549	 1.3211593026	 0.314732
+C	-0.2367652617	 0.8696500266	 2.8385926713	-0.305014
+C	-1.7522878816	 0.7536438039	 3.1259619994	 0.111714
+O	-2.4567438708	 1.9648723103	 2.7801394621	-0.304399
+C	-2.4894624818	 1.5922587159	 1.3825509291	 0.106979
+C	-1.1538463754	 1.911735421	 0.6740639748	-0.277787
+C	-1.9805244229	 0.1591919983	 1.7081863913	-0.163086
+H	 2.0666490442	 0.7800770788	 1.1010158149	 0.285813
+H	 0.049944656	-0.3975881654	-0.4705728694	 0.105743
+H	 0.6808683942	-1.1145930576	 1.0204841746	 0.081635
+H	 0.2978646631	 0.0105279718	 3.2627314764	 0.095517
+H	 0.2523238593	 1.7968835726	 3.1504907227	 0.10384
+H	-2.0906960066	 0.3390378395	 4.0773325059	 0.078848
+H	-3.4353107939	 1.8631075294	 0.9100473091	 0.078923
+H	-1.2480691819	 1.7794669631	-0.4095574833	 0.10163
+H	-0.7023850614	 2.8848739723	 0.8817661809	 0.104766
+H	-2.44967504	-0.7873851702	 1.4523532394	 0.074472
+19
+0 5227	2.7023856	1.5555621	1.1554868	2.2889	75.04	-0.23267	0.07581	0.30848	1100.9067	0.156101	-422.4962	-422.487712	-422.486768	-422.529105	32.416
+C	-2.9706348703	-1.446646742	-0.2164642038	-0.508444
+C	-2.4895537542	-0.6525185865	 0.9610980198	 0.22927
+C	-3.2833556518	 0.367794591	 1.7880337117	-0.282794
+C	-2.1063484128	 0.2886957235	 2.7886641994	 0.065246
+O	-1.006151618	 0.9053625368	 2.0556465884	-0.345156
+C	-1.0183849207	-0.2695361077	 1.2252193502	 0.410397
+C	 0.1814521548	-0.4716892825	 0.3636517083	-0.181974
+O	 1.3721813361	-0.5300930276	 1.1294155745	-0.416116
+C	-1.7405043111	-1.1258852713	 2.2154260467	-0.239741
+H	-3.8964811121	-1.9823780067	 0.0217169691	 0.123175
+H	-3.1728322859	-0.7984097812	-1.0769051284	 0.126844
+H	-2.2321671953	-2.1922311892	-0.5292145071	 0.123669
+H	-3.4972781215	 1.3541192197	 1.3630057719	 0.098816
+H	-4.1937062784	-0.0840813401	 2.1924555103	 0.102633
+H	-2.1722866437	 0.6078069637	 3.8263180599	 0.087998
+H	 0.1007062313	-1.4162955915	-0.1833173695	 0.112567
+H	 0.2269307576	 0.3405186709	-0.3808482517	 0.099379
+H	 1.3096241115	 0.1845909076	 1.7740710335	 0.291939
+H	-1.5427057256	-2.0996327269	 2.6416860867	 0.102292
+19
+0 5228	2.7451486	1.4918792	1.1317523	1.716	75.1	-0.2284	0.07539	0.30379	1112.3032	0.155906	-422.495972	-422.487422	-422.486478	-422.528914	32.611
+C	-2.3489191757	-2.7374090714	 0.5515992939	-0.509803
+C	-1.8310425854	-1.9147923451	 1.6824581622	 0.430621
+O	-2.7558134266	-1.4875996363	 2.6890895046	-0.330131
+C	-1.5949755521	-1.1345745796	 3.4948639234	 0.066472
+C	-1.0254400383	 0.1077592554	 2.7719776014	-0.27632
+C	-0.6906871961	-0.8649406164	 1.6357101215	 0.206861
+C	 0.2005846475	-0.6081841922	 0.4610617496	-0.183396
+O	 1.4925581492	-0.1446530934	 0.8375365379	-0.412373
+C	-0.6735918391	-2.0547992371	 2.6166947663	-0.261028
+H	-2.8476022125	-3.6353629951	 0.9291855233	 0.134478
+H	-3.0725087668	-2.1675706244	-0.0409805393	 0.135902
+H	-1.5353995462	-3.0481066748	-0.1095227842	 0.128075
+H	-1.7770280297	-1.181192957	 4.5661742329	 0.086838
+H	-1.7295310574	 0.9248656526	 2.5845899325	 0.09915
+H	-0.1130004794	 0.4827090023	 3.2418587573	 0.106714
+H	 0.2729516706	-1.5101130319	-0.167882502	 0.085066
+H	-0.2197191365	 0.1867111529	-0.1658460931	 0.117752
+H	 1.8592405004	-0.7922193767	 1.4490350009	 0.279902
+H	 0.0355939939	-2.8471784016	 2.8174523009	 0.095221
+19
+0 5229	2.5110587	1.643664	1.2609627	0.7545	74.61	-0.21462	0.05613	0.27075	1068.1881	0.155714	-422.495081	-422.486562	-422.485618	-422.528011	32.73
+C	 0.8855657786	-0.4428057951	 0.9611500896	-0.375034
+C	 0.8568958029	 0.2617858493	-0.4030185694	-0.31824
+C	 1.6031980335	-0.4976187291	-1.4483304493	 0.426008
+O	 1.2125928744	-1.8392406132	-1.7745167104	-0.331707
+C	 2.1041872434	-1.7280694802	-2.9220209916	 0.063748
+C	 3.5252463547	-1.7534913532	-2.3007597492	-0.303663
+C	 3.125034063	-0.3904998079	-1.729843091	 0.291815
+O	 3.9276657243	 0.5838334136	-1.175909201	-0.456363
+C	 2.0939371579	-0.1598852927	-2.824455549	-0.265886
+H	 0.4800613548	-1.4549352834	 0.8803760212	 0.141314
+H	 1.9083265653	-0.5253809672	 1.3449182857	 0.102921
+H	 0.2935607524	 0.1073037471	 1.6980930707	 0.113311
+H	-0.1815097076	 0.4000855204	-0.7271675929	 0.111521
+H	 1.3033260802	 1.2601864427	-0.3294976526	 0.113992
+H	 1.8151471563	-2.3490703708	-3.7663239901	 0.089473
+H	 3.7464850505	-2.5843274922	-1.6227341921	 0.095087
+H	 4.3037421146	-1.6482123781	-3.0608875018	 0.10807
+H	 4.0757662519	 0.3679310679	-0.2481139574	 0.290023
+H	 1.9121226288	 0.6498852819	-3.5173909594	 0.103608
+19
+0 5230	2.6154285	1.7059014	1.2930781	1.5013	74.94	-0.21496	0.07339	0.28835	1035.1321	0.156267	-422.489411	-422.481063	-422.480118	-422.522007	32.334
+C	 1.5422932427	-0.1333320553	 0.1964311748	-0.270972
+O	 0.1178695824	-0.1232738886	 0.2087924273	-0.29936
+C	-0.401939776	 0.7234713673	 1.1687386672	 0.359877
+C	-0.2812118797	 2.2355728716	 1.3096446845	-0.306801
+C	-1.4278207746	 2.0718713096	 2.3537845775	-0.068029
+C	-0.79392254	 1.2782389881	 3.5411575654	-0.280554
+C	-0.7199194951	 0.1307480222	 2.5577425213	 0.373746
+O	-0.3989365741	-1.1753042574	 2.854982102	-0.47734
+C	-1.8248602203	 0.695408198	 1.6771123163	-0.258874
+H	 1.9518451587	-0.4222591104	 1.1733435904	 0.121625
+H	 1.8476190614	-0.8625438794	-0.5568258877	 0.130423
+H	 1.9436061303	 0.8513737019	-0.0764499309	 0.122776
+H	 0.6598172617	 2.6762389732	 1.6590163338	 0.088891
+H	-0.6273326378	 2.7521005493	 0.4091000639	 0.103105
+H	-2.1183757503	 2.8882638734	 2.5444769392	 0.080974
+H	 0.135565789	 1.6662509459	 3.9746682429	 0.087379
+H	-1.5241166376	 1.0888300054	 4.3334192683	 0.106099
+H	-0.170101838	-1.6040053334	 2.0192267167	 0.287718
+H	-2.7420242526	 0.3040224285	 1.2622582569	 0.099316
+19
+0 5231	2.587865	1.6883059	1.2743335	1.0334	75.08	-0.21102	0.07905	0.29007	1051.2145	0.155342	-422.479739	-422.471175	-422.470231	-422.512645	32.384
+C	 1.6386512256	 0.1796778221	-0.0143718862	-0.260522
+O	 0.2250733384	 0.0485277689	 0.0446830671	-0.279843
+C	-0.3401536561	 0.7071391284	 1.1074439464	 0.344395
+C	-0.4790010848	 2.2160492921	 1.3410021489	-0.31315
+C	-1.4947790477	 1.7856831358	 2.4319015853	 0.064118
+O	-0.6756956098	 1.1371357215	 3.4466812797	-0.325085
+C	-0.5125618574	 0.0631014068	 2.5106818878	 0.395589
+C	 0.0591421786	-1.2373927378	 2.9564322847	-0.512731
+C	-1.7150204417	 0.4211676809	 1.6850833158	-0.273376
+H	 2.1177627377	-0.2080562128	 0.894142491	 0.116344
+H	 1.9747011438	-0.4002069823	-0.8763668606	 0.129399
+H	 1.938436859	 1.2277038195	-0.1495152357	 0.118726
+H	 0.3806845053	 2.8005594307	 1.6826473615	 0.099036
+H	-0.9736540734	 2.7000491736	 0.4946087746	 0.10737
+H	-2.2471943797	 2.4584925228	 2.8360598453	 0.089504
+H	 1.0521518144	-1.0927054673	 3.3958152792	 0.130372
+H	-0.5780298277	-1.7163852283	 3.7065935023	 0.129794
+H	 0.1555271688	-1.9100958296	 2.0993454541	 0.136351
+H	-2.5749823631	-0.124514205	 1.3221590788	 0.103707
+19
+0 5232	2.6659362	1.614962	1.2524669	3.0827	74.75	-0.23625	0.06424	0.30049	1048.8205	0.157165	-422.508644	-422.500401	-422.499457	-422.541236	32.321
+O	 1.4562498563	 0.8613049617	 0.1756594008	-0.426355
+C	 0.3649252468	-0.0468545903	 0.2468568587	-0.186176
+C	-0.9199853227	 0.6238463151	 0.6394605931	 0.290481
+C	-1.9332225463	 1.3850096416	-0.2153694556	-0.280391
+C	-2.8642283437	 1.3154593087	 1.0269090279	-0.070416
+C	-2.1540109197	 2.2228919401	 2.0776703824	-0.292781
+C	-1.0733418895	 1.1510482421	 2.0727606695	 0.34552
+O	 0.0294381951	 1.0389168047	 2.9023966701	-0.473006
+C	-2.0164910112	 0.0866106719	 1.5540067976	-0.22809
+H	 1.5694559198	 1.2111164976	 1.0670255692	 0.293251
+H	 0.2725848003	-0.4900838788	-0.7506539522	 0.10519
+H	 0.5772085065	-0.8660092544	 0.950610675	 0.088697
+H	-1.6693695796	 2.3787590778	-0.5944591337	 0.094622
+H	-2.298976704	 0.7623001151	-1.0375834232	 0.096349
+H	-3.9467619408	 1.337149005	 0.9294257344	 0.075381
+H	-1.8949387829	 3.2445237392	 1.77686051	 0.094573
+H	-2.6991323806	 2.2400774704	 3.0274582472	 0.089574
+H	-0.2705589928	 0.8984180052	 3.8069770789	 0.290214
+H	-2.259344101	-0.9164487926	 1.8740941101	 0.093364
+19
+0 5233	2.6098616	1.466277	1.2098458	2.2469	75.24	-0.23119	0.06835	0.29954000000000003	1109.5451	0.156196	-422.495363	-422.486715	-422.48577	-422.528794	32.418
+C	-1.2019921674	-3.8797770616	 0.6290926653	-0.532185
+C	 0.052080926	-3.4095624344	 1.2902099053	 0.212355
+C	 1.5331630089	-3.434308604	 0.8950090725	-0.197517
+C	 1.9291415766	-4.1153091463	 2.2030628658	-0.237486
+C	 0.6289964469	-3.487916516	 2.7640026634	 0.023509
+O	 0.9053005684	-2.0585265185	 2.758461924	-0.343894
+C	 0.8247550839	-2.1319042414	 1.327790278	 0.412205
+C	 0.7885033941	-0.8486092309	 0.5693539665	-0.193797
+O	 2.0183825331	-0.1436395156	 0.6465656182	-0.412106
+H	-2.0932222719	-3.4681921287	 1.1158956455	 0.128921
+H	-1.2231449636	-3.5716403812	-0.4217197147	 0.127806
+H	-1.2815074896	-4.9727558119	 0.6512425922	 0.125565
+H	 1.9583239894	-3.5523381639	-0.0941244585	 0.092833
+H	 1.8561530236	-5.2037232915	 2.1289272981	 0.102509
+H	 2.860134443	-3.824980238	 2.6999461334	 0.100086
+H	 0.1353242095	-3.8306965666	 3.6715432464	 0.085658
+H	 0.608871498	-1.0533844972	-0.4913143493	 0.113
+H	-0.0464283532	-0.2319276109	 0.937130438	 0.098629
+H	 2.2321958743	-0.0601965113	 1.58243479	 0.293909
+19
+0 5234	2.5479803	1.4365112	1.1835289	1.9508	75.11	-0.22863	0.07188	0.30051	1121.4793	0.156121	-422.491543	-422.482902	-422.481958	-422.524776	32.477
+C	-1.4346352883	-3.6613106233	 0.7474332193	-0.532275
+C	 0.0173053388	-3.4979133936	 1.0595400597	 0.229888
+C	 0.7977284226	-2.8939354078	 2.1755975918	-0.008787
+O	 1.6016019273	-4.039246535	 2.4423914155	-0.297337
+C	 1.2620107606	-4.4775892808	 1.0940360495	 0.020857
+C	 2.0367373752	-3.4959296639	 0.1827679306	-0.282734
+C	 1.0711555145	-2.435231319	 0.7151653935	 0.205206
+C	 0.8807214697	-1.0220055348	 0.2614894947	-0.178108
+O	 2.0218269162	-0.2087825513	 0.5033235898	-0.413414
+H	-1.8961827951	-4.4169994674	 1.3927735982	 0.131798
+H	-1.9730227952	-2.7201107397	 0.9007227312	 0.128291
+H	-1.5929981816	-3.965699921	-0.2934208755	 0.125466
+H	 0.5187445256	-2.2375764519	 2.9914038427	 0.10378
+H	 1.2793779939	-5.5588512588	 0.9710543765	 0.086739
+H	 3.1081804648	-3.3937480467	 0.3789321521	 0.103994
+H	 1.8573200767	-3.6951801858	-0.8776296131	 0.101183
+H	 0.7179699587	-0.9788983558	-0.8216115637	 0.11136
+H	-0.0215286248	-0.599713714	 0.7371801828	 0.081621
+H	 2.2663772903	-0.3275804194	 1.4273667545	 0.282473
+19
+0 5235	2.5646975	1.4418732	1.1910261	2.7702	74.87	-0.22752	0.06099	0.28851	1126.2591	0.15588	-422.488204	-422.479642	-422.478698	-422.521356	32.598
+C	 1.3961451491	 1.392669757	 0.0835654482	-0.372354
+C	 1.0425424512	-0.1009242011	 0.0681360926	-0.308912
+C	 1.7437378412	-0.8675602704	-1.0163396115	 0.215665
+C	 3.2340983894	-1.1777617989	-1.1863623639	-0.284938
+C	 2.8039627799	-2.1011042938	-2.3535654922	-0.009069
+O	 2.3070137557	-1.1738901202	-3.3562522744	-0.287694
+C	 1.2050669331	-0.9353346421	-2.4868633395	-0.006543
+C	 1.3483067318	-2.1796946248	-1.6947374019	 0.26283
+O	 0.449425322	-3.1696678746	-1.4060225012	-0.448399
+H	 0.8653274831	 1.9137654971	 0.8861352723	 0.111963
+H	 2.469300155	 1.5431667513	 0.2395746803	 0.120914
+H	 1.130034748	 1.8684959779	-0.8655331079	 0.121799
+H	 1.2834873525	-0.5411938876	 1.0457275867	 0.094377
+H	-0.0417501033	-0.222212278	-0.0555595	 0.104081
+H	 3.9195979417	-0.3684272368	-1.4563861191	 0.102178
+H	 3.6254963497	-1.7433739577	-0.3350789303	 0.09327
+H	 3.4309654884	-2.8921415093	-2.7594408538	 0.088193
+H	 0.3462955686	-0.3830594774	-2.8449394427	 0.110621
+H	 0.666367143	-3.5455808705	-0.5447811716	 0.292017
+19
+0 5236	2.6357171	1.4617757	1.2143871	0.9438	75.17	-0.22292	0.06647	0.28939000000000004	1114.2499	0.156033	-422.493213	-422.484699	-422.483755	-422.526332	32.514
+C	 1.2023023494	 1.18932392	 0.1843846083	-0.374075
+C	 0.9330665519	-0.318344011	 0.0821888625	-0.315603
+C	 1.6203933109	-0.9533744743	-1.0808709674	 0.388278
+O	 3.0498116045	-0.9819987803	-1.1279256777	-0.322596
+C	 2.9495756994	-1.8782221332	-2.2648211211	-0.014539
+C	 2.4074421767	-0.9757138784	-3.4014980369	-0.230725
+C	 1.1291927367	-0.9064437321	-2.5702539788	-0.197295
+C	 1.4352649623	-2.2112669837	-1.8668204702	 0.252306
+O	 0.666370048	-3.3384323491	-1.7700964308	-0.446583
+H	 0.7169107576	 1.6140306993	 1.0680313487	 0.109776
+H	 2.2759641779	 1.3838271404	 0.2567491391	 0.136807
+H	 0.8256466991	 1.7148551808	-0.6986173771	 0.118932
+H	 1.2612048456	-0.8160085013	 1.0037550952	 0.105954
+H	-0.1426836892	-0.5091397955	-0.0115737392	 0.110263
+H	 3.8064949312	-2.5395287572	-2.3772676865	 0.084756
+H	 2.972193681	-0.0578849138	-3.5907868031	 0.10031
+H	 2.2542478466	-1.5347768313	-4.3282589319	 0.106862
+H	 0.1582606135	-0.5027974227	-2.8286562315	 0.093061
+H	 0.926605207	-3.8202862168	-0.9759449517	 0.29411
+19
+0 5237	2.5737159	1.5197404	1.2674043	1.4422	75.51	-0.2269	0.0712	0.2981	1083.3753	0.156133	-422.485471	-422.476914	-422.47597	-422.518473	32.476
+C	 1.2836801068	-0.3138578435	-0.1569079116	-0.256807
+O	 0.9486986703	 0.8241505606	 0.6219752155	-0.290458
+C	-0.0553878494	 0.6033743379	 1.5299585646	 0.348991
+C	-1.5603622404	 0.5326724307	 1.2810802459	-0.299756
+C	-1.7087520756	 0.7031441026	 2.8233866061	-0.138147
+C	-1.133425861	-0.6162481718	 3.4135613479	-0.225673
+C	 0.2164471914	-0.1443481058	 2.8838179812	-0.184494
+C	-0.221165773	 1.2985319052	 2.84907522	 0.31031
+O	 0.3583817431	 2.3932319126	 3.4287398612	-0.452839
+H	 1.6118081941	-1.1483596251	 0.4772690284	 0.113428
+H	 0.4344311446	-0.6503258065	-0.7673135686	 0.113622
+H	 2.100860536	-0.0177573734	-0.8183471236	 0.127148
+H	-1.9121813717	 1.4119298334	 0.7330957671	 0.096806
+H	-1.9908128728	-0.3753934743	 0.8440849889	 0.088959
+H	-2.5982046032	 1.1706668194	 3.2393854746	 0.074359
+H	-1.1585242118	-0.624009424	 4.5070175446	 0.104039
+H	-1.5534818853	-1.5531425801	 3.0297164268	 0.085996
+H	 1.2133326737	-0.5145069105	 3.0876209064	 0.090602
+H	 0.2501105742	 3.1476775527	 2.8382683545	 0.293913
+19
+0 5238	2.5427131	1.5397426	1.2561081	1.0979	75.46	-0.2131	0.0798	0.2929	1093.133	0.155443	-422.475525	-422.466816	-422.465872	-422.508855	32.32
+C	 1.6249887428	 0.052990295	 0.1047906712	-0.258163
+O	 0.2098739915	 0.1365795363	 0.0126719363	-0.284559
+C	-0.3711433948	 0.8131246155	 1.0538958509	 0.338592
+C	-0.4352798346	 2.3202857084	 1.3162394639	-0.312956
+C	-1.5149778851	 1.9298119321	 2.360178693	 0.02013
+O	-0.7745165888	 1.2192791941	 3.3945783275	-0.29481
+C	-0.6316274715	 0.1673416712	 2.4407521573	-0.037162
+C	-1.7809695536	 0.5821045551	 1.5720925428	 0.211657
+C	-2.9865593138	-0.0988731248	 1.0144815923	-0.53244
+H	 1.9362270509	-0.4388451991	 1.0360925946	 0.11465
+H	 1.9646331232	-0.5369235241	-0.7490466579	 0.128574
+H	 2.0904815482	 1.0468790545	 0.0612756223	 0.117927
+H	 0.4412669515	 2.8492484319	 1.7029531224	 0.099209
+H	-0.8688661806	 2.8504209981	 0.4640526401	 0.106396
+H	-2.2445027671	 2.6381320899	 2.7472754956	 0.088305
+H	-0.2660556105	-0.8029228458	 2.7523400596	 0.106682
+H	-3.713822912	-0.3361475274	 1.7984358094	 0.127652
+H	-3.4879504421	 0.5219056501	 0.2633232247	 0.12443
+H	-2.6968670135	-1.0347484611	 0.5260124242	 0.135887
+19
+0 5239	2.7503917	1.5423112	1.3288812	2.781	75.29	-0.20619	0.05422	0.26041000000000003	1039.3466	0.1571	-422.501232	-422.492932	-422.491987	-422.533695	32.336
+O	 0.2444474196	 1.6117076358	 0.045320331	-0.42961
+C	 0.2848196955	 0.1944708465	-0.1776681241	-0.22058
+C	-0.8368038774	-0.1293573906	-1.1128729907	 0.25874
+C	-0.9364958311	-1.2499875644	-2.1467438012	-0.300656
+C	-2.0794701981	-0.4151812842	-2.7949569507	-0.114859
+C	-3.2176321552	-0.4573521537	-1.7354397822	-0.230899
+C	-2.2969024323	 0.3771393067	-0.849146115	-0.188022
+C	-1.4992291166	 0.8517056054	-2.0408270762	 0.390325
+O	-1.1101534915	 2.0746872107	-2.521553625	-0.473325
+H	 0.9310973866	 1.8436649088	 0.677051995	 0.294453
+H	 1.2434535108	-0.0970408828	-0.6357351376	 0.094439
+H	 0.1983864438	-0.3440883346	 0.7792383948	 0.096373
+H	-0.0440498517	-1.2808201356	-2.779785877	 0.097055
+H	-1.1873831839	-2.2649952356	-1.8147921844	 0.084494
+H	-2.2949399785	-0.4929027026	-3.8579144006	 0.074393
+H	-4.0923153391	 0.1177008172	-2.0518231192	 0.102078
+H	-3.5335495396	-1.449570795	-1.3921312564	 0.083754
+H	-2.521778105	 0.9126418536	 0.0640103152	 0.086747
+H	-0.5150039365	 2.4397942045	-1.8516445959	 0.2951
+19
+0 5240	3.5591061	1.3361384	1.2987528	2.013	72.7	-0.23572	0.08929	0.32501	1067.1526	0.158547	-422.552619	-422.545156	-422.544211	-422.584623	29.422
+C	 0.8497286612	 0.1245880779	 0.2479857645	-0.375135
+C	 2.3406782877	-0.0413034406	 0.5705946561	-0.300014
+C	 3.0630894871	-0.974048966	-0.3659582278	 0.244312
+C	 3.2214026046	-0.7569093434	-1.8690128616	-0.295218
+C	 4.0282882106	-2.0530102934	-2.0907041424	 0.148209
+O	 5.1054606863	-1.9299064275	-1.1679868833	-0.252935
+C	 4.332795841	-1.7401453743	 0.003479661	-0.015187
+C	 3.0483704381	-2.4981788486	-0.2402090256	 0.000029
+O	 3.1888324653	-3.0594294446	-1.5330285915	-0.252204
+H	 0.3646891267	 0.7867260199	 0.9715779024	 0.113412
+H	 0.7033888766	 0.5555058316	-0.7475166006	 0.1207
+H	 0.3318523985	-0.83976998	 0.2716270384	 0.12057
+H	 2.8323498495	 0.9404713213	 0.5548827077	 0.103558
+H	 2.4490249574	-0.4130455581	 1.597961849	 0.097137
+H	 2.2768067044	-0.7659630805	-2.4169137514	 0.112387
+H	 3.8004844836	 0.1351753052	-2.1192898382	 0.110319
+H	 4.3811387204	-2.3327979306	-3.0792419651	 0.099382
+H	 4.8926857909	-1.6651600944	 0.9242746925	 0.11047
+H	 2.4862450301	-3.0911333638	 0.4664436061	 0.110209
+19
+0 5241	3.4805759	1.4116433	1.3565385	1.6843	73.18	-0.23531	0.09312	0.32843	1042.926	0.158505	-422.556904	-422.549435	-422.54849	-422.588899	29.461
+C	 1.1505180688	-0.4824391861	 0.9473902502	-0.375283
+C	 0.9594299462	 0.1869888041	-0.4193618891	-0.305436
+C	 1.6638616742	-0.5304329553	-1.528764767	 0.443835
+O	 3.0744491109	-0.6690795259	-1.3861413357	-0.289239
+C	 3.3292968082	-1.4385633274	-2.5536287834	 0.143857
+C	 2.739035612	-0.569195415	-3.6854395782	-0.239261
+C	 1.3715542062	-0.465923292	-3.0277316637	-0.229467
+C	 1.2377811455	-1.781482067	-2.2613986082	-0.004206
+O	 2.4204373384	-2.5319186057	-2.4707368181	-0.252912
+H	 0.7493218785	-1.5008844309	 0.9461284329	 0.118576
+H	 2.2116845838	-0.543098584	 1.201545169	 0.138447
+H	 0.6397217528	 0.0835349503	 1.7318916164	 0.10949
+H	-0.1064966923	 0.2390233721	-0.6711782384	 0.102992
+H	 1.318147105	 1.2233639693	-0.3822305464	 0.110229
+H	 4.359679106	-1.7809380919	-2.590489814	 0.098038
+H	 3.2556536476	 0.3884279075	-3.7770880352	 0.111795
+H	 2.7289215773	-1.0924398353	-4.6439459368	 0.112757
+H	 0.5290959718	 0.0677668207	-3.4445023365	 0.095444
+H	 0.3405025692	-2.3627939276	-2.1075619677	 0.110344
+19
+0 5242	3.5060058	1.4063624	1.3670882	0.7758	73.44	-0.2181	0.09181	0.30991	1029.4334	0.158591	-422.540802	-422.533355	-422.532411	-422.572647	29.47
+C	 1.4565273661	-0.1158601301	 0.000783482	-0.259096
+O	 0.0509407399	 0.0701511109	 0.0034037472	-0.29684
+C	-0.4248721775	 0.7519836137	 1.1046350534	 0.404513
+C	-0.1582807182	 2.2324623805	 1.3863195908	-0.304836
+C	-0.9787200079	 2.2660369965	 2.6947186241	 0.053322
+C	-2.3582705701	 1.729923234	 2.2435031193	-0.229137
+C	-1.8137237562	 0.4393047986	 1.6457306141	-0.175964
+C	-0.5801013556	 0.1398204384	 2.4829528487	 0.009437
+O	-0.435405651	 1.1644652069	 3.449027225	-0.259087
+H	 1.7954460448	-0.6354884426	 0.9075275937	 0.112321
+H	 1.6926832378	-0.7257554336	-0.8739443874	 0.12766
+H	 1.9957144176	 0.8382302716	-0.0766530776	 0.113506
+H	 0.8975186306	 2.4574879647	 1.5601261622	 0.103608
+H	-0.5571361492	 2.8974688648	 0.6155847086	 0.10519
+H	-0.9480905859	 3.1720209175	 3.29608188	 0.082745
+H	-3.030173408	 1.5605406476	 3.0891669837	 0.107399
+H	-2.8446875988	 2.3833226141	 1.5141677472	 0.103015
+H	-2.4206953529	-0.3456726468	 1.2164896953	 0.096938
+H	-0.2479371656	-0.8424046868	 2.7867930596	 0.105305
+19
+0 5243	3.4572376	1.3404688	1.2955623	1.3936	73.24	-0.23325	0.07696	0.31021	1052.5139	0.15935	-422.560335	-422.552931	-422.551987	-422.592155	29.57
+O	 1.3717544578	 0.5962918567	 0.0448548398	-0.414345
+C	 0.1994724594	-0.1791688196	-0.1686360132	-0.17852
+C	-0.9353342226	 0.6244572852	-0.7336258383	 0.267524
+C	-0.8361521158	 1.4274866151	-2.0288674964	-0.271227
+C	-2.2486155543	 2.042716806	-1.9370620139	 0.049111
+C	-3.1490398294	 0.7944439116	-1.7940286956	-0.231597
+C	-2.4113030439	 0.227979658	-0.5858681294	-0.171061
+C	-1.8791334007	 1.4540941133	 0.1189489045	 0.045105
+O	-2.2671802182	 2.6020507753	-0.6093944307	-0.261174
+H	 1.122911183	 1.3449617672	 0.5974466067	 0.282553
+H	 0.4984715541	-0.9694424839	-0.8668486815	 0.111024
+H	-0.1258935446	-0.6778265119	 0.759506872	 0.082607
+H	-0.0461354474	 2.1812330616	-1.9930000354	 0.110001
+H	-0.7040706413	 0.8038363406	-2.9180074472	 0.099675
+H	-2.5316324248	 2.8040174033	-2.6605453353	 0.082145
+H	-4.1867869478	 1.057537679	-1.5714745646	 0.107746
+H	-3.1162631664	 0.1481528059	-2.6753625026	 0.102348
+H	-2.7225784116	-0.6622920468	-0.0556955778	 0.088435
+H	-1.8168394553	 1.5926353234	 1.1898658291	 0.099649
+19
+0 5244	3.3786341	1.4051625	1.3583432	2.2019	73.4	-0.23791	0.08481	0.32272	1028.8143	0.159457	-422.564377	-422.557009	-422.556065	-422.596182	29.485
+O	 0.9177625564	 1.0609399104	 0.349256077	-0.417041
+C	 0.3841421053	-0.2150561485	 0.6629568835	-0.182158
+C	-0.9313411893	-0.1172396227	 1.3661534752	 0.448997
+O	-0.8532519802	 0.5527063667	 2.621616588	-0.311149
+C	-2.2388540604	 0.4958165752	 3.0061937219	 0.049548
+C	-2.5573946245	-1.0113254806	 2.8828135307	-0.228081
+C	-2.0284208794	-1.1522555632	 1.4592645653	-0.165531
+C	-2.2804948061	 0.191045103	 0.7603723778	-0.145043
+C	-2.9580788752	 1.0988626472	 1.7791866084	-0.227184
+H	 0.888607796	 1.5732444549	 1.1651064595	 0.291211
+H	 0.2569532315	-0.7487112798	-0.2840583984	 0.109632
+H	 1.0849097359	-0.7969446599	 1.2828526807	 0.094993
+H	-2.3759633386	 0.9747972931	 3.973253518	 0.08103
+H	-1.9983767263	-1.6094343453	 3.6075814145	 0.106641
+H	-3.6254493687	-1.2260952902	 2.9788454307	 0.102275
+H	-1.9956902638	-2.0916695857	 0.9238498445	 0.089668
+H	-2.4274074284	 0.2734854545	-0.3078515486	 0.093759
+H	-2.7119752674	 2.1546852719	 1.636879693	 0.107246
+H	-4.0443282469	 0.9807729289	 1.8273256983	 0.101185
+19
+0 5245	3.2696384	1.4983618	1.321573	0.292	73.89	-0.24131	0.07485	0.31616	1039.3004	0.157541	-422.517922	-422.51035	-422.509405	-422.549982	29.8
+C	 1.3503133641	 0.8135296308	 0.379170045	-0.383076
+C	 0.925706747	-0.576627095	-0.1069514506	-0.320893
+C	 1.6016823063	-0.9941719323	-1.3786314902	 0.444028
+O	 3.0353468086	-0.9864384634	-1.399950829	-0.331065
+C	 2.9134708195	-1.1356228941	-2.8454384233	 0.0271
+C	 2.4196487982	-2.589469044	-2.9580592121	-0.213495
+C	 1.0984941659	-2.2531478898	-2.2470562276	-0.015244
+O	 0.4824633094	-1.3350552022	-3.2001028519	-0.294735
+C	 1.4909375732	-0.4106176624	-2.79688711	 0.007234
+H	 0.8569860212	 1.0628754734	 1.3229019086	 0.113189
+H	 2.4315203197	 0.8558483899	 0.5330163093	 0.138037
+H	 1.0851331832	 1.58478381	-0.3514757214	 0.116559
+H	 1.1456549329	-1.3275628834	 0.6631056124	 0.111402
+H	-0.1568763397	-0.6121449741	-0.2777611363	 0.117416
+H	 3.7790757849	-0.7847490769	-3.4028208783	 0.08537
+H	 2.237009579	-2.944896283	-3.9739583023	 0.111151
+H	 3.0821874327	-3.2664339681	-2.415862081	 0.111121
+H	 0.4302584338	-3.0335705738	-1.8876526522	 0.083219
+H	 1.3566633102	 0.6237911185	-3.1079472592	 0.092682
+19
+0 5246	3.2170706	1.5639167	1.358647	2.2122	74.24	-0.23218	0.08425	0.31643	1011.8808	0.157946	-422.506437	-422.498944	-422.498	-422.538381	29.524
+C	 1.2825766728	-0.2419763943	-0.0149943724	-0.260156
+O	-0.1194873366	-0.1161889101	 0.1285343787	-0.298767
+C	-0.5317755242	 0.6016184553	 1.2295521931	 0.443971
+C	-0.1568745332	 0.3273967034	 2.6991280507	-0.323417
+C	-0.832652571	 1.7033129429	 2.9466983002	-0.096344
+C	-2.311744207	 1.3837948725	 2.6400794103	-0.208313
+C	-2.0301604238	 1.106458287	 1.1533397338	 0.007387
+O	-1.5838907893	 2.4207234431	 0.7013857104	-0.290723
+C	-0.4071839597	 2.1377046871	 1.4581241597	 0.020595
+H	 1.7280124687	-0.824614741	 0.8029862056	 0.113612
+H	 1.4581837682	-0.7656426788	-0.9569238047	 0.132101
+H	 1.7747753181	 0.7398254676	-0.0562805735	 0.111916
+H	-0.5712677993	-0.5457173177	 3.2112106352	 0.098094
+H	 0.9267004994	 0.3644033442	 2.8442471636	 0.099429
+H	-0.5840605622	 2.3075600981	 3.8153812601	 0.073992
+H	-2.6819331433	 0.5249564415	 3.2061100225	 0.097786
+H	-2.9974235337	 2.2260451737	 2.7501487308	 0.108998
+H	-2.7705723958	 0.6407859376	 0.5055332604	 0.08602
+H	 0.446094842	 2.7916243079	 1.2863507256	 0.08382
+19
+0 5247	3.2242492	1.5743652	1.3693861	2.257	74.52	-0.238	0.09021	0.32821	1003.0213	0.157815	-422.50524	-422.497738	-422.496794	-422.537135	29.617
+C	 1.2848764172	-0.0723691012	-0.0758595643	-0.26053
+O	-0.12201016	 0.0412776914	 0.0358332845	-0.301411
+C	-0.5637959682	 0.7644613654	 1.1218349273	 0.429865
+C	-0.1901603307	 2.2087923424	 1.4971776461	-0.316175
+C	-0.9702145806	 1.8330724141	 2.7795276634	 0.070659
+O	-2.3201422516	 1.7240492611	 2.2989928683	-0.268575
+C	-2.1076665894	 0.5883140951	 1.4500564378	 0.027687
+C	-1.744437596	-0.5237813237	 2.4599443419	-0.248267
+C	-0.4818834431	 0.3287345284	 2.6471808824	-0.143779
+H	 1.7268683252	-0.5244497856	 0.8229737543	 0.111854
+H	 1.4833421954	-0.7186717053	-0.9334186741	 0.131145
+H	 1.7591109964	 0.9030718393	-0.2483332183	 0.116513
+H	 0.882989243	 2.3090690334	 1.682708121	 0.098341
+H	-0.5712000593	 3.0486898834	 0.9110576674	 0.103911
+H	-0.9173742955	 2.4073603424	 3.7015106515	 0.08346
+H	-2.876386079	 0.5034493234	 0.6842666526	 0.083048
+H	-2.4340370586	-0.6764188393	 3.293170463	 0.098891
+H	-1.5033926057	-1.468123699	 1.9664514729	 0.110114
+H	 0.4223791306	 0.0221386742	 3.1694751625	 0.07325
+19
+0 5248	3.2093293	1.4964497	1.3045541	1.8093	74.25	-0.23757	0.0716	0.30917	1026.649	0.158468	-422.520749	-422.513236	-422.512292	-422.552637	29.782
+O	 0.9664902698	 0.7834312923	-0.5471259085	-0.424452
+C	-0.1280844919	 0.3650495201	 0.2597351329	-0.214802
+C	-1.3832228062	 0.5179988277	-0.5477776895	 0.348926
+C	-1.79851981	 1.7803416122	-1.3228388983	-0.300807
+C	-2.7860913348	 0.8266985544	-2.0468772849	-0.095992
+C	-3.7659823062	 0.4789830223	-0.9064762474	-0.209757
+C	-2.6897324922	-0.2516031374	-0.0812944283	 0.00528
+O	-2.3643280799	-1.3669227597	-0.9662067156	-0.298918
+C	-1.7409711044	-0.3582601963	-1.7706033697	 0.077312
+H	 1.7743849142	 0.6709568302	-0.0380323179	 0.288963
+H	-0.0241656381	-0.6885816505	 0.563256606	 0.099448
+H	-0.1972362302	 0.9705975552	 1.1792080008	 0.084892
+H	-2.2210851825	 2.6331353814	-0.7823036793	 0.088363
+H	-0.9744499083	 2.112926114	-1.9581440997	 0.1173
+H	-3.1830490122	 1.0446280066	-3.0362330392	 0.068113
+H	-4.1882248581	 1.3664607492	-0.4272103942	 0.094694
+H	-4.5657591385	-0.2113744055	-1.1817370324	 0.106841
+H	-2.8840648694	-0.5490384316	 0.9491864286	 0.074755
+H	-1.0634273109	-0.7107159646	-2.5457080333	 0.089842
+19
+0 5249	3.2094442	1.4771533	1.3007228	1.5778	74.2	-0.24226	0.0658	0.30806	1025.4748	0.15837	-422.517609	-422.510144	-422.5092	-422.549412	29.846
+O	 1.3235055395	 0.4596801686	 0.0168946716	-0.411563
+C	 0.0961379751	-0.207381487	-0.2462925447	-0.193833
+C	-0.9301845782	 0.6858336091	-0.8897649083	 0.300716
+C	-0.6799302505	 1.5332553909	-2.1469801882	-0.283422
+C	-2.0004783054	 2.2029829505	-1.7172492722	 0.072042
+O	-2.9578844353	 1.1540055772	-1.9463750256	-0.269686
+C	-2.4628995499	 0.2421755881	-0.9559020666	 0.030418
+C	-2.7295710985	 1.0139502143	 0.3562191672	-0.247435
+C	-1.6318081065	 1.9302108093	-0.1984460522	-0.117978
+H	 1.1357744659	 1.1792325568	 0.6284328739	 0.281926
+H	 0.3497378224	-1.0291657234	-0.9266406366	 0.115757
+H	-0.3115229289	-0.6654935034	 0.6698376428	 0.087255
+H	 0.1957117009	 2.1710356055	-2.0027892722	 0.105485
+H	-0.663378814	 1.061017804	-3.1327474665	 0.099577
+H	-2.3624102059	 3.1551949807	-2.1006801936	 0.079672
+H	-2.8000252708	-0.7749197424	-1.1510707575	 0.078972
+H	-3.7421470312	 1.3983696064	 0.4990357477	 0.103358
+H	-2.3902580087	 0.4786771566	 1.246985287	 0.100646
+H	-1.10751201	 2.7026545182	 0.3631888842	 0.068093
+19
+0 5250	2.9965923	1.5407176	1.3949857	1.9687	73.79	-0.24481	0.06917	0.31398	1005.5043	0.158845	-422.524167	-422.516778	-422.515834	-422.556057	29.546
+O	 0.9784687066	 1.0838164048	 0.4160873043	-0.417771
+C	 0.4208425546	-0.2082144195	 0.5989754105	-0.193495
+C	-0.9179325077	-0.1185174887	 1.2694180485	 0.467138
+O	-0.8718901613	 0.4046132074	 2.6094540508	-0.347451
+C	-2.2487766449	-0.0800418443	 2.6904584123	 0.066449
+C	-2.9682270845	 0.9412389631	 1.7891838876	-0.207892
+C	-2.2073096915	 0.4950123012	 0.5233113782	-0.119196
+C	-2.7198112827	-0.9607783697	 0.358262301	-0.250488
+C	-1.9279212725	-1.2268424656	 1.6492904073	-0.140135
+H	 0.9694534672	 1.5106051817	 1.2806139394	 0.295476
+H	 0.3196285664	-0.6536309944	-0.3960912555	 0.112913
+H	 1.0858820209	-0.8539023917	 1.19322194	 0.095565
+H	-2.5889914958	-0.2636131443	 3.7082786237	 0.081229
+H	-4.0495750847	 0.8011433721	 1.7049256122	 0.09609
+H	-2.7519085568	 1.9588203092	 2.1197988468	 0.106726
+H	-2.1190026448	 1.1822176341	-0.3150858419	 0.079139
+H	-3.802079435	-1.1176815517	 0.3493346274	 0.095439
+H	-2.2676941758	-1.4816806181	-0.4902967155	 0.103536
+H	-1.6440578877	-2.2073530658	 2.0285283628	 0.076728
+19
+0 5251	3.4828506	1.3314444	1.2753868	1.9363	74.59	-0.21292	0.07603	0.28895	1087.8977	0.157262	-422.514255	-422.506389	-422.505445	-422.546724	30.263
+C	 1.3144312333	 0.8870998368	 0.391471332	-0.375491
+C	 0.7848378129	-0.4642548557	-0.1083504681	-0.305992
+C	 1.580892432	-0.9920841797	-1.2574535643	 0.466393
+O	 2.967675945	-1.291149606	-1.0359963748	-0.339329
+C	 2.9298860917	-2.2319553833	-2.1540322255	 0.057039
+C	 3.4439095097	-1.4788826591	-3.3716524445	-0.075815
+O	 2.5218626401	-0.3898097373	-3.5164392999	-0.266291
+C	 1.3874455147	-0.6997120803	-2.7412388383	 0.035883
+C	 1.3920955398	-2.1204638671	-2.2510637451	-0.286863
+H	 0.7396466488	 1.2358637594	 1.2542291679	 0.110516
+H	 2.3627185201	 0.8012886399	 0.6904093103	 0.139237
+H	 1.251379984	 1.6480474901	-0.3925996554	 0.122802
+H	 0.8054838368	-1.1994135188	 0.7059613551	 0.108825
+H	-0.2612882413	-0.3724270269	-0.4250190837	 0.102918
+H	 3.4053161814	-3.184926878	-1.9197646942	 0.088314
+H	 4.4458763563	-1.071880712	-3.206928914	 0.119708
+H	 3.447766868	-2.1087545995	-4.2749454192	 0.092501
+H	 0.4805302044	-0.2144224054	-3.0823211633	 0.106801
+H	 0.6525274121	-2.8977582571	-2.388808985	 0.098843
+19
+0 5252	3.9864765	1.310883	1.1834157	2.6334	74.57	-0.22585	0.08872	0.31457	1095.5134	0.157625	-422.511193	-422.503373	-422.502429	-422.543522	30.114
+C	 1.4504099337	-0.1285120043	 0.0441003754	-0.255269
+O	 0.0399319544	-0.2003182101	 0.1718069406	-0.284176
+C	-0.4793872489	 0.5158173335	 1.2226963797	 0.395471
+C	-0.1720132117	 0.3309299573	 2.7073420147	-0.307243
+C	-0.6925101166	 1.7909221996	 2.9396067779	-0.073392
+C	-2.1912697991	 1.7634051627	 3.2428243486	-0.077167
+O	-2.7693812455	 1.0966349636	 2.1113702105	-0.270734
+C	-1.8230945051	 1.1797495979	 1.0669036445	 0.052886
+C	-0.6502165678	 2.0440545601	 1.4066953931	-0.216782
+H	 1.9642579095	-0.6100562015	 0.8867836304	 0.114643
+H	 1.7112257622	-0.6580310534	-0.874641997	 0.130053
+H	 1.7924852518	 0.9131873307	-0.0277509532	 0.110767
+H	-0.6896331883	-0.47764925	 3.2347486429	 0.102627
+H	 0.901906257	 0.263010228	 2.8983732635	 0.101462
+H	-0.0978069381	 2.428027088	 3.5923994609	 0.077259
+H	-2.4420767788	 1.192775372	 4.1431332976	 0.10705
+H	-2.6045752224	 2.7788298038	 3.3398589471	 0.091841
+H	-2.2581699008	 1.185771075	 0.0747880937	 0.109155
+H	-0.3023352154	 2.9144341573	 0.867090199	 0.09155
+19
+0 5253	4.0206317	1.2996091	1.1724945	1.7298	74.55	-0.23701	0.08952	0.32653	1097.4847	0.157709	-422.514211	-422.506404	-422.50546	-422.546509	30.113
+C	 1.4579009326	-0.0795047833	-0.0013750631	-0.256904
+O	 0.0512948858	-0.1151546307	 0.1715319967	-0.2843
+C	-0.4094996712	 0.5899107386	 1.2577726921	 0.43394
+C	-0.0060794899	 0.3944704097	 2.7215528396	-0.330422
+C	-0.548546016	 1.8425884667	 2.9797075812	 0.089079
+O	-1.8942774364	 1.8275037522	 3.4339512134	-0.263973
+C	-2.6730955482	 1.222338069	 2.3944053012	-0.108644
+C	-1.7731931744	 1.2311092557	 1.1647524862	-0.137485
+C	-0.5728416329	 2.1011605759	 1.4553529032	-0.1821
+H	 1.9845001895	-0.5998473185	 0.8097774284	 0.115856
+H	 1.6724489082	-0.5894314135	-0.9428303718	 0.130054
+H	 1.8283375787	 0.9534686908	-0.0561832285	 0.111401
+H	-0.4682401788	-0.4137335967	 3.2979265454	 0.100072
+H	 1.0803095653	 0.3541420676	 2.8409523869	 0.100188
+H	 0.0321205675	 2.4890674339	 3.6350689025	 0.085696
+H	-2.9770256244	 0.2085008825	 2.6883387198	 0.099824
+H	-3.5787888574	 1.8205306926	 2.24063627	 0.105499
+H	-2.2049211307	 1.2535827049	 0.1714880064	 0.099873
+H	-0.2626442272	 2.9704836826	 0.8927500103	 0.092347
+19
+0 5254	3.5128466	1.2727727	1.1933145	1.8923	74.4	-0.22946	0.07403	0.30349	1103.8252	0.158398	-422.525935	-422.518164	-422.51722	-422.558263	30.223
+O	 0.8476433585	 0.6685622701	-0.4535620934	-0.41357
+C	 0.0990899028	-0.2815271648	 0.2942102118	-0.179606
+C	-0.4135983739	 0.2843432424	 1.5835992769	 0.278517
+C	-1.4616053188	 1.3914476245	 1.7254451901	-0.279058
+C	-1.7953804267	 0.8470739653	 3.1521769295	-0.075113
+C	-0.9272154947	 1.5539035458	 4.1910405746	-0.078487
+O	 0.418208205	 1.3266481573	 3.7412377787	-0.268355
+C	 0.3741263426	 0.2044639376	 2.8884732273	 0.058191
+C	-0.9682933276	-0.4313835125	 2.8276103627	-0.189155
+H	 1.5321624783	 1.0153272477	 0.1287930151	 0.284111
+H	-0.7335032414	-0.5731468247	-0.356922968	 0.107734
+H	 0.6870329754	-1.1934093793	 0.4949521703	 0.082051
+H	-1.118244579	 2.4288513169	 1.65744405	 0.100941
+H	-2.2898061714	 1.2387291524	 1.0281628417	 0.102618
+H	-2.8461239388	 0.7449792265	 3.4192932786	 0.077209
+H	-1.0953529397	 2.6349773645	 4.2326240413	 0.108807
+H	-1.0675096827	 1.1318706041	 5.1978901487	 0.092563
+H	 1.2817290788	-0.3889636216	 2.9066063815	 0.099715
+H	-1.2138064466	-1.4685419223	 3.0151339327	 0.090887
+19
+0 5255	3.5593998	1.2501371	1.1737889	1.5306	74.12	-0.24159	0.06855	0.31013999999999997	1109.4516	0.158453	-422.528799	-422.52102	-422.520076	-422.56113	30.25
+O	 1.3383272738	 0.6854160371	-0.0708788683	-0.412908
+C	 0.270225242	-0.1015341599	 0.4418849888	-0.18167
+C	-0.8883101519	 0.7274919621	 0.9086403363	 0.310777
+C	-1.8428299353	 1.5207012162	 0.0076602027	-0.302039
+C	-2.9092533778	 1.4230879475	 1.1462142631	 0.085428
+O	-2.9017757747	 2.572228411	 1.9791866105	-0.262208
+C	-1.5919712225	 2.6548173153	 2.5513669295	-0.104025
+C	-0.9674946981	 1.2800413285	 2.3331553906	-0.133432
+C	-2.0343932444	 0.3486335257	 1.8406320153	-0.146176
+H	 1.5925645577	 1.3071196493	 0.6192368915	 0.280758
+H	-0.0369486053	-0.7476624105	-0.388536629	 0.110206
+H	 0.6102612563	-0.7604895708	 1.258346814	 0.083418
+H	-1.560379594	 2.5292458959	-0.3094171063	 0.100365
+H	-2.1290653586	 0.9329878614	-0.8698824087	 0.101154
+H	-3.9387623077	 1.2011009573	 0.8702673219	 0.085454
+H	-1.019046589	 3.4619722084	 2.0741190503	 0.097112
+H	-1.6893222202	 2.8911219314	 3.6174889814	 0.106823
+H	-0.2330002868	 0.9113964587	 3.0410050857	 0.089783
+H	-2.3192217336	-0.5949164144	 2.2861989707	 0.09118
+19
+0 5256	3.6872035	1.3123557	1.1642855	1.5862	73.97	-0.22466	0.0683	0.29296	1090.5886	0.158183	-422.527391	-422.519536	-422.518592	-422.559909	30.454
+O	 1.3935577725	-0.0914305233	 1.0890836508	-0.406924
+C	 0.3343669759	 0.1561078244	 0.1812145828	-0.197445
+C	-0.8912741201	 0.710220623	 0.8534122227	 0.453243
+O	-1.9691662275	 1.1068498095	-0.0016015437	-0.351834
+C	-2.9061477975	 0.8653626479	 1.1082837984	 0.092375
+C	-3.2339631067	 2.2172893658	 1.7312456325	-0.206126
+C	-1.8353423502	 2.7453133048	 2.1659548721	-0.228988
+C	-0.9456922558	 1.4998813956	 2.1522284785	-0.134479
+C	-1.7812341212	 0.2419312547	 1.9588929893	-0.207773
+H	 1.7284651997	 0.7611176499	 1.3841281882	 0.287796
+H	 0.6297206039	 0.8460141421	-0.6254855894	 0.1031
+H	 0.0984201155	-0.8047247618	-0.2878878012	 0.122565
+H	-3.746993413	 0.2468910725	 0.7904066662	 0.079309
+H	-3.7350532051	 2.878885354	 1.0192648041	 0.107586
+H	-3.896421861	 2.079890662	 2.5940284659	 0.098552
+H	-1.4695174536	 3.507495349	 1.4716823883	 0.107997
+H	-1.8629969389	 3.1962135035	 3.1619270854	 0.099057
+H	-0.0802491685	 1.431059801	 2.8015962373	 0.082714
+H	-1.7888226685	-0.6468059147	 2.5737693117	 0.099276
+19
+0 5257	2.5863106	1.5831117	1.1400137	1.7294	76.48	-0.21572	0.01743	0.23315	1105.7612	0.156431	-422.535075	-422.526489	-422.525544	-422.567863	32.879
+C	 1.4527842388	 0.0782870266	-0.0123392477	-0.266319
+O	 0.0292912706	 0.0153695581	 0.0092625366	-0.304897
+C	-0.5261877948	 0.5829601923	 1.1597276603	 0.377942
+C	-0.2730437311	-0.0594485255	 2.5250361499	-0.34194
+C	-1.5838307707	 0.1653473058	 3.2523642734	-0.088442
+C	-2.5110883402	 0.7242491386	 2.4688081427	-0.068633
+C	-1.9804672838	 1.0333811799	 1.1143830969	-0.234004
+C	-0.8416148558	 2.0562422427	 1.0677212498	 0.081746
+O	-0.5525718889	 2.6957240697	-0.1341973884	-0.443493
+H	 1.8923756461	-0.5083426638	 0.8044017511	 0.120502
+H	 1.7723940979	-0.3497096549	-0.9650446827	 0.130298
+H	 1.8100931279	 1.1134842808	 0.0617745672	 0.125905
+H	-0.0506621574	-1.1306147504	 2.4123385963	 0.113884
+H	 0.5779896987	 0.3876656088	 3.0533532084	 0.110809
+H	-1.7218993058	-0.1100792611	 4.2913786842	 0.096301
+H	-3.5223118702	 0.9705374765	 2.7718273133	 0.099914
+H	-2.5825912364	 0.9224825765	 0.218656862	 0.097389
+H	-0.7023999524	 2.7123721258	 1.9219969377	 0.102778
+H	-0.3669956925	 1.9962035435	-0.7752711311	 0.290259
+19
+0 5258	2.7013332	1.4588397	1.1053192	2.8229	76.19	-0.22477	0.01738	0.24215	1123.9205	0.157217	-422.55432	-422.545745	-422.544801	-422.587321	32.986
+O	 1.0633651258	 0.4695759757	-0.638503524	-0.429917
+C	 0.0222433756	 0.4973723087	 0.3271608085	-0.154581
+C	-1.3446918029	 0.6389755514	-0.3073396249	 0.293226
+C	-1.8429848838	 2.0143822299	-0.7628413722	-0.331391
+C	-3.3410035875	 1.9436658951	-0.5498846665	-0.085565
+C	-3.7201447151	 0.7962184887	 0.0212645002	-0.078223
+C	-2.5683035453	-0.1262396106	 0.2158597164	-0.202407
+C	-1.8707897376	-0.5395463895	-1.072580573	 0.053647
+O	-1.0191496019	-1.6527768011	-1.0820194746	-0.433382
+H	 0.9263916511	-0.3377935073	-1.1478273109	 0.292469
+H	 0.0497181799	-0.3984435288	 0.9616012196	 0.091238
+H	 0.2244662644	 1.3626488367	 0.9680646459	 0.101363
+H	-1.3905171672	 2.8180300168	-0.1641843352	 0.107616
+H	-1.577485043	 2.2260351362	-1.8058176661	 0.116139
+H	-4.0077383851	 2.749080962	-0.8365972776	 0.094706
+H	-4.738323447	 0.5300093562	 0.2816289332	 0.095401
+H	-2.4998714894	-0.7914452176	 1.0707607087	 0.088908
+H	-2.4104431644	-0.3616309998	-2.0037152318	 0.087865
+H	-1.5548533764	-2.4510892428	-1.1308933256	 0.292889
+19
+0 5259	3.2248895	1.4776951	1.3265455	1.7937	74.31	-0.24404	0.00081	0.24485	1041.3371	0.157672	-422.558864	-422.551045	-422.550101	-422.591009	30.682
+C	 0.9397076288	-0.4768761687	 0.9788128588	-0.382384
+C	 0.9211991248	 0.1508143912	-0.4189978178	-0.293488
+C	 1.8056886379	-0.5687075031	-1.4110015091	 0.317285
+C	 1.7411431235	-0.1073665277	-2.9095252305	-0.109566
+O	 2.1839006954	-1.2712180445	-3.611642007	-0.274703
+C	 2.4096894621	-2.2369791402	-2.5540904568	 0.118082
+O	 1.401561047	-1.9441663863	-1.6199489503	-0.260187
+C	 3.6815503087	-1.7943349283	-1.8351117589	-0.086465
+C	 3.2991345485	-0.7320102209	-1.1260666461	-0.132717
+H	 0.6189753127	-1.5206255777	 0.9341368493	 0.140221
+H	 1.9442940673	-0.4551043065	 1.4129713819	 0.118083
+H	 0.2693246901	 0.0618919865	 1.6544925867	 0.1126
+H	-0.1019085996	 0.1581303165	-0.8125136614	 0.110856
+H	 1.244593309	 1.1983722551	-0.3706221571	 0.102937
+H	 0.7095885492	 0.1253922733	-3.1970634767	 0.105126
+H	 2.3894674086	 0.7482325318	-3.1251662348	 0.100312
+H	 2.3283351765	-3.2429890253	-2.9597900502	 0.09201
+H	 4.6746940461	-2.1825094624	-2.0117478853	 0.113555
+H	 3.9044944933	-0.0251416427	-0.5749093547	 0.108442
+19
+0 5260	3.2233977	1.537306	1.3701519	1.3851	74.59	-0.24256	0.00296	0.24552	1022.3612	0.157554	-422.560947	-422.553124	-422.55218	-422.593062	30.767
+C	 2.0640332068	 1.2190007248	 0.4766884462	-0.383351
+C	 1.4600163047	-0.1403116516	 0.1150622045	-0.292157
+C	 2.0314995369	-0.7325567983	-1.1485804728	 0.475466
+O	 1.7838177281	 0.1463750039	-2.2907120781	-0.313511
+C	 2.8078573115	-0.1908785235	-3.2255816366	-0.0865
+C	 3.5416304191	-1.3571157934	-2.4850503921	-0.036857
+O	 3.4431246613	-0.8454697479	-1.1467021254	-0.26951
+C	 2.5545821254	-2.5156822089	-2.4603855925	-0.102508
+C	 1.598772525	-2.12482309	-1.61713183	-0.109947
+H	 1.6049133873	 1.6135987424	 1.387476999	 0.106496
+H	 3.1406582218	 1.1321486256	 0.6435314766	 0.131815
+H	 1.9039335082	 1.9358727729	-0.3318788502	 0.133413
+H	 1.6191428881	-0.8639660933	 0.9222844897	 0.112734
+H	 0.3765574984	-0.0542628624	-0.0254254703	 0.11274
+H	 2.3759731155	-0.4915356887	-4.1858051832	 0.101908
+H	 3.4776595838	 0.6639440068	-3.3688570053	 0.108375
+H	 4.5745976081	-1.5450457876	-2.770053755	 0.090489
+H	 2.5830665746	-3.3803138255	-3.1089180024	 0.109814
+H	 0.6494777354	-2.5904102052	-1.3911282221	 0.111091
+19
+0 5261	3.2264745	1.546577	1.3773487	1.7709	75.12	-0.23836	0.00991	0.24827	1009.7749	0.157985	-422.552306	-422.544594	-422.54365	-422.584221	30.494
+C	 1.4694649353	-0.0552304206	-0.0969251123	-0.264121
+O	 0.0543192661	-0.0109485915	 0.0301064428	-0.310963
+C	-0.4212436188	 0.5840214142	 1.166933522	 0.50688
+C	-0.0163454961	 0.1111289265	 2.5837192827	-0.291517
+C	-0.9072964318	 1.1956065826	 3.2369540932	-0.110352
+C	-0.2802845467	 2.4457229701	 2.5377107694	-0.070145
+O	 0.0003256971	 1.994865711	 1.214027555	-0.313551
+C	-2.2263691113	 0.9465714827	 2.5200787638	-0.093412
+C	-1.9350477372	 0.5841215407	 1.2675456062	-0.108925
+H	 1.9206162206	-0.7114936815	 0.6593118245	 0.110308
+H	 1.6762214134	-0.4647807198	-1.0873276978	 0.127767
+H	 1.905045417	 0.9448571326	-0.0137897135	 0.136418
+H	-0.345811718	-0.9051984824	 2.8016369405	 0.108079
+H	 1.050322201	 0.2294479703	 2.791828834	 0.097797
+H	-0.9349878426	 1.2506594776	 4.3244172069	 0.071296
+H	-0.9673634594	 3.2993442554	 2.5100505779	 0.098433
+H	 0.6500172425	 2.7535192262	 3.033110564	 0.095582
+H	-3.2036204619	 1.1516375435	 2.9383419459	 0.101278
+H	-2.5927875092	 0.4250715923	 0.4240646149	 0.109149
+19
+0 5262	3.1730949	1.5573992	1.3803938	1.5772	74.86	-0.24891	0.00743	0.25634	1012.8882	0.158046	-422.556968	-422.549183	-422.548238	-422.589045	30.513
+C	 1.4847609379	-0.144646873	-0.0074430166	-0.259674
+O	 0.0671796043	-0.0701504204	 0.0874769039	-0.305088
+C	-0.4017130074	 0.6910387975	 1.126189576	 0.474176
+C	-1.954776435	 0.6458987183	 1.2445008873	-0.257217
+C	-2.1496826481	 1.0108500264	 2.7417249107	-0.216703
+C	-0.6586643864	 1.197601951	 3.1887522796	 0.001805
+O	-0.0133963956	 0.1806514622	 2.4192324729	-0.286863
+C	-0.1528893326	 2.4757838847	 2.5269498341	-0.077263
+C	 0.0191588399	 2.1622026489	 1.2441527101	-0.167748
+H	 1.9159321397	-0.6073769116	 0.8859130568	 0.13639
+H	 1.7033533323	-0.7587639778	-0.8829774988	 0.12633
+H	 1.9325196413	 0.8487044474	-0.142430897	 0.111657
+H	-2.444456176	 1.3338641134	 0.5530641659	 0.102712
+H	-2.2872700261	-0.370245629	 1.0232325526	 0.11542
+H	-2.7537100517	 1.907028674	 2.9007609083	 0.099411
+H	-2.6027993935	 0.1865133786	 3.2970617516	 0.108428
+H	-0.4602801914	 1.0679222646	 4.2518149311	 0.0803
+H	-0.0899800634	 3.4453205767	 3.0033282811	 0.105763
+H	 0.2515680218	 2.8056176581	 0.4062181602	 0.108165
+19
+0 5263	3.2363347	1.4810182	1.3310855	2.132	74.95	-0.23945	0.00341	0.24286	1028.8407	0.157949	-422.543539	-422.535785	-422.534841	-422.575544	30.507
+C	 1.4461542616	-0.0840327068	-0.1614355276	-0.260619
+O	 0.0469821414	-0.0302429881	 0.0332755773	-0.312094
+C	-0.3667578578	 0.6491334693	 1.1774017922	 0.369886
+C	-1.9230201995	 0.7426687061	 1.2255733739	-0.104807
+O	-2.1790129961	 1.7576009712	 2.1961640019	-0.278579
+C	-0.8669025282	 2.2001469088	 2.6637421438	 0.053523
+C	-0.0443016587	 2.1636610528	 1.3698760697	-0.289167
+C	-0.2569563577	 1.0448636743	 3.4454196048	-0.083236
+C	 0.0411125865	 0.1044223414	 2.5430228636	-0.151587
+H	 1.9658595231	-0.5220551866	 0.7022194202	 0.11136
+H	 1.6192081688	-0.7158160944	-1.035448448	 0.130085
+H	 1.8715370288	 0.9107177597	-0.3539292739	 0.11346
+H	-2.3128601045	 1.0429030282	 0.2455662801	 0.105625
+H	-2.3852331681	-0.2046658648	 1.5237306156	 0.100193
+H	-1.0018677448	 3.1494921977	 3.1779732448	 0.077761
+H	-0.4541077894	 2.8022218551	 0.5829052842	 0.105006
+H	 1.0168731173	 2.3627389609	 1.5229769077	 0.102753
+H	-0.2305146196	 0.9653567972	 4.5244631803	 0.105067
+H	 0.3616911069	-0.9157236221	 2.7147920392	 0.105371
+19
+0 5264	3.171495	1.4508508	1.2977802	2.0539	74.87	-0.24129	0.0015	0.24279	1040.0827	0.158367	-422.560132	-422.552354	-422.55141	-422.592146	30.84
+O	 1.3179873348	 0.0179340217	 1.1305149601	-0.417147
+C	 0.6219266918	 0.2943388595	-0.074520008	-0.179364
+C	-0.464799287	 1.3303303486	 0.1270140645	 0.382613
+C	-0.0935371667	 2.7352518776	 0.6285717129	-0.244288
+C	-1.5602271145	 3.221830443	 0.5011121121	-0.110447
+C	-1.7839776235	 2.8589940467	-1.0010662473	-0.071441
+O	-1.0638137918	 1.6338968283	-1.1725830499	-0.314657
+C	-2.2800107711	 2.1349410259	 1.2816492415	-0.088073
+C	-1.6247878102	 0.9897621003	 1.060870534	-0.132986
+H	 0.6828399349	-0.329192589	 1.7653783039	 0.285629
+H	 1.3635471728	 0.6778898088	-0.7807137176	 0.118549
+H	 0.1849360113	-0.6144038723	-0.5160144717	 0.09716
+H	 0.2774260989	 2.7463370712	 1.652962076	 0.11045
+H	 0.6073878928	 3.2435417878	-0.0402355838	 0.097956
+H	-1.7866807543	 4.2561013015	 0.7576480117	 0.070059
+H	-2.841925624	 2.7130583774	-1.24750909	 0.097742
+H	-1.3660435537	 3.6267126911	-1.6644650264	 0.099911
+H	-3.2222065077	 2.2687833915	 1.798742974	 0.101129
+H	-1.9270788926	-0.0122874695	 1.3431726038	 0.097205
+19
+0 5265	3.1214411	1.4976934	1.3347299	2.4007	74.27	-0.24891	0.0094	0.25831	1025.8405	0.158872	-422.566684	-422.559051	-422.558106	-422.59853	30.524
+O	 1.5443247576	 0.4832478709	 0.1875578479	-0.421782
+C	 0.3473921042	 0.0402198716	-0.4212106597	-0.149685
+C	 0.2231892713	 0.555457759	-1.8368537697	 0.317838
+C	-1.0925928075	 0.2403730625	-2.6222476882	-0.258486
+C	-1.1251808711	 1.4221083725	-3.6357078034	-0.213435
+C	 0.1854364418	 2.1799592806	-3.2430282463	 0.007721
+O	 0.1853076786	 1.9995521787	-1.8202573591	-0.291182
+C	 1.3548024441	 1.3031484531	-3.6750891047	-0.090028
+C	 1.3778473633	 0.2956137868	-2.8040499116	-0.103802
+H	 1.6091175342	 1.4252298214	-0.0111389126	 0.291576
+H	 0.3716945535	-1.0550402043	-0.4222643529	 0.107041
+H	-0.5407666982	 0.3547843887	 0.1499396401	 0.092664
+H	-1.06902697	-0.7421315285	-3.0979883659	 0.103001
+H	-1.9508912783	 0.2753793404	-1.9458500795	 0.105356
+H	-1.1288960927	 1.10217244	-4.6799107677	 0.102333
+H	-1.9936158897	 2.063488262	-3.4683547078	 0.107571
+H	 0.220417858	 3.2379737783	-3.4998991334	 0.079701
+H	 1.9451799264	 1.4410343641	-4.5708090311	 0.104833
+H	 1.9966223944	-0.5911925477	-2.8003745942	 0.108764
+19
+0 5266	3.2194326	1.3819956	1.28419	0.769	74.48	-0.24114	0.00773	0.24886999999999998	1051.3912	0.158596	-422.557204	-422.549456	-422.548511	-422.589216	30.713
+O	 1.0615242297	 0.6685896956	 0.4146498749	-0.419108
+C	-0.1703602706	 0.1048260351	-0.0200403651	-0.180615
+C	-1.3718433006	 0.9558208922	 0.3457330983	 0.227431
+C	-1.6912174723	 1.0665550491	 1.8759287207	-0.106479
+O	-3.0362518954	 1.5452534985	 1.9273178071	-0.277108
+C	-3.4521555879	 1.7008768653	 0.5360782576	 0.051692
+C	-2.7801483697	 0.4896431494	-0.1241533749	-0.267279
+C	-2.6408385168	 2.8479128039	-0.0474782703	-0.093533
+C	-1.3863218407	 2.3958002925	-0.1490871249	-0.105111
+H	 1.0841909776	 0.6350753032	 1.3759486554	 0.287874
+H	-0.0876878196	 0.029272159	-1.1094444998	 0.114123
+H	-0.3022947245	-0.917511541	 0.3694197391	 0.088301
+H	-1.6333756266	 0.0831946987	 2.3649663127	 0.09203
+H	-1.0226778909	 1.7633837281	 2.3959321459	 0.095395
+H	-4.5378211388	 1.777661668	 0.5221898795	 0.075331
+H	-3.1024080338	-0.4626338699	 0.3079211693	 0.098509
+H	-2.8751256037	 0.4710603755	-1.2111145002	 0.10485
+H	-3.0024426773	 3.8553813182	-0.2072072507	 0.101961
+H	-0.4899288281	 2.9433641785	-0.4099210347	 0.111737
+19
+0 5267	2.3959258	1.7220031	1.2058703	2.2965	77.65	-0.22989	0.00113	0.23102	1070.0582	0.157489	-422.528535	-422.52033	-422.519386	-422.561242	31.503
+O	 0.0168716611	 1.5489718197	 0.0233740745	-0.424375
+C	 0.1328671264	 0.1390734665	 0.0596469533	-0.100868
+C	-1.2471140889	-0.5106662671	 0.0062095051	 0.354288
+C	-2.0169736816	-0.4794214079	 1.3775212167	-0.280343
+C	-1.5923746643	-1.985932441	 1.5897111275	-0.317689
+C	-1.3744456884	-1.9972760982	 0.090940406	 0.195456
+C	-1.8704513581	-2.4856004991	-1.0392877011	-0.237371
+C	-2.0048350118	-1.3278178125	-2.0201299083	-0.128153
+O	-1.8728587542	-0.1326505864	-1.2205386507	-0.335675
+H	-0.5382786583	 1.743200031	-0.7418870919	 0.290814
+H	 0.7400930387	-0.2394691238	-0.778006463	 0.085645
+H	 0.6508131073	-0.1139753692	 0.9907311882	 0.101867
+H	-1.6719244212	 0.2489320965	 2.1142750657	 0.115175
+H	-3.0925359266	-0.3860120267	 1.2214234607	 0.117725
+H	-0.6738001246	-2.0664742141	 2.178153955	 0.119735
+H	-2.3338779279	-2.6788375664	 1.9902160593	 0.117767
+H	-2.2786440289	-3.4695657947	-1.2329607022	 0.106158
+H	-1.2512842558	-1.3307430522	-2.823314411	 0.105727
+H	-2.9930054428	-1.3196479143	-2.4975148138	 0.114117
+19
+0 5268	2.5419039	1.6222651	1.1920082	2.3509	77.18	-0.23749	-0.00141	0.23608	1078.9767	0.15779	-422.526492	-422.51836	-422.517416	-422.559084	31.342
+O	 0.0422560304	 1.4554511486	-0.3853709714	-0.424307
+C	 0.1256371221	 0.1360222137	 0.1186915984	-0.108189
+C	-1.2637361485	-0.4921697121	 0.1525861545	 0.396307
+C	-2.1600081335	-0.0373505126	 1.3140691542	-0.298338
+C	-2.1292202629	-1.2894704959	 2.2573490093	-0.250857
+C	-1.9520176539	-2.4505648999	 1.2749276691	-0.201377
+C	-1.4189845537	-1.9785002404	 0.1544777098	 0.145546
+C	-1.5405927319	-1.9373091308	-1.3479232571	-0.170899
+O	-1.7699905331	-0.4932480099	-1.2480581576	-0.35836
+H	-0.4434481107	 1.3798041901	-1.2170947611	 0.291946
+H	 0.8048517918	-0.4852002141	-0.4863399143	 0.080815
+H	 0.5444895315	 0.2013146112	 1.1285726456	 0.107594
+H	-1.827578178	 0.8873774421	 1.7924008721	 0.109359
+H	-3.1784490563	 0.1105796947	 0.9430011612	 0.117486
+H	-1.3136361421	-1.2234716451	 2.9897429983	 0.112865
+H	-3.0536460997	-1.3926954054	 2.8344352111	 0.110539
+H	-2.3317463106	-3.4485489806	 1.4592330555	 0.103105
+H	-0.6320322414	-2.1538840224	-1.9230596115	 0.11301
+H	-2.3898571094	-2.4660254611	-1.7917283159	 0.123754
+19
+0 5269	3.025434	1.2779466	1.0559076	2.3081	75.68	-0.2455	-0.02781	0.21769	1188.0431	0.155409	-422.545755	-422.536982	-422.536037	-422.579454	32.504
+C	 3.7591057934	 0.9765179534	-0.9475226108	-0.383858
+C	 2.2762348514	 0.5856968587	-0.9672010436	-0.270753
+C	 2.0731079662	-0.8689217103	-1.3123757286	 0.459799
+C	 2.3576168893	-1.3759001154	-2.7564109043	-0.403589
+C	 1.0227630037	-2.148022478	-2.6985239268	 0.413565
+O	 0.4279225708	-2.8320774496	-3.4791655488	-0.297307
+C	 0.7086204139	-1.6460948818	-1.2836138509	-0.283105
+C	 1.398494908	-2.4929681943	-0.1897395359	-0.092272
+O	 2.6407356107	-1.7737256209	-0.3292035192	-0.327697
+H	 4.3079202496	 0.3545568414	-0.235058401	 0.14105
+H	 4.2185905996	 0.8463938981	-1.9330912694	 0.119122
+H	 3.883125718	 2.0231470809	-0.6557927361	 0.115985
+H	 1.8283683376	 0.7778641576	 0.0149078375	 0.10524
+H	 1.7284252363	 1.1999578684	-1.6930437016	 0.099774
+H	 2.330862746	-0.5919036885	-3.5218068918	 0.131781
+H	 3.2632686481	-1.9731398733	-2.8843444344	 0.138949
+H	-0.2764634896	-1.2283987475	-1.0783966434	 0.100685
+H	 0.96413697	-2.352299449	 0.8070840878	 0.114235
+H	 1.5039923771	-3.5659207699	-0.3864107187	 0.118397
+19
+0 5270	2.6903673	1.4084979	1.0913098	4.2913	75.17	-0.26645	0.01133	0.27778	1164.7854	0.156803	-422.578918	-422.570383	-422.569439	-422.612217	31.858
+C	 2.4347271624	-0.8957132722	 1.2307574053	-0.385677
+C	 1.7639623884	 0.0165214798	 0.1963654801	-0.276136
+C	 1.8005997706	-0.5578202624	-1.1952067924	 0.469857
+C	 0.9943612208	-1.8204794364	-1.5916778828	-0.279487
+C	 0.5609340771	-1.1190920351	-2.9155686796	-0.234353
+C	 1.3721328517	 0.1532549684	-2.5099818585	-0.302821
+C	 2.8457280308	 0.0292976383	-2.8682327272	 0.44785
+O	 3.5692709513	 0.3331992959	-3.7620461263	-0.330477
+O	 3.1792288325	-0.6527947819	-1.719596864	-0.290719
+H	 1.9338145744	-1.8677411348	 1.2893012803	 0.120473
+H	 3.4812969779	-1.0715571071	 0.9673438124	 0.142751
+H	 2.4034620856	-0.4433687702	 2.2257731457	 0.118902
+H	 0.7155516293	 0.1921713308	 0.467650642	 0.104254
+H	 2.2567149796	 0.9960462925	 0.1837418156	 0.111357
+H	 1.6024042488	-2.7207791969	-1.692703403	 0.123321
+H	 0.159365674	-2.0295910157	-0.9185678939	 0.111281
+H	 0.8697919511	-1.5920621623	-3.8493130125	 0.127057
+H	-0.5113860021	-0.9237587049	-2.9644453621	 0.118291
+H	 0.9061405659	 1.1337886342	-2.5862202891	 0.104277
+19
+0 5271	2.8839792	1.2794118	1.0368724	3.9425	75.47	-0.23366	-0.03451	0.19915	1201.3597	0.155584	-422.536505	-422.52773	-422.526786	-422.570244	32.354
+C	 2.1091449494	 1.7327295182	-1.7548491019	-0.38233
+C	 1.8614931673	 0.4532941196	-0.9453462282	-0.297195
+C	 1.8585083845	-0.7953589625	-1.8022735532	 0.314677
+C	 0.6687943295	-1.0682051366	-2.7442412087	-0.118969
+O	 0.5516472339	-2.4382980034	-2.2890876819	-0.287177
+C	 1.5649865145	-2.2463761696	-1.2764849974	-0.076325
+C	 2.936070873	-2.6930813772	-1.8309659101	 0.425637
+O	 3.5561468582	-3.7135619155	-1.8018911002	-0.289642
+C	 3.2133181175	-1.2853810347	-2.4041945927	-0.427387
+H	 2.1026965073	 2.6143891	-1.1075530162	 0.121092
+H	 3.0778193484	 1.6989605817	-2.2645057648	 0.123298
+H	 1.3370980557	 1.8763335253	-2.5187371651	 0.121636
+H	 2.6305280771	 0.3561199203	-0.1679144363	 0.101754
+H	 0.9016975683	 0.5308277733	-0.4190879919	 0.105005
+H	-0.2386329397	-0.4983880598	-2.5039443488	 0.103911
+H	 0.8597553036	-1.0032858334	-3.8217782887	 0.107662
+H	 1.2412509207	-2.5386819284	-0.2734456146	 0.088816
+H	 4.0928489115	-0.8342051788	-1.9313968299	 0.134069
+H	 3.3351142294	-1.2223015486	-3.4891670692	 0.131468
+19
+0 5272	2.8489027	1.3505553	1.0782605	3.2707	75.92	-0.23822	-0.02024	0.21797999999999998	1163.5449	0.155317	-422.53615	-422.527343	-422.526399	-422.569964	32.591
+C	 1.3720563526	 0.039221408	-0.0373273419	-0.263474
+O	-0.0419718974	 0.0666416842	-0.0069767	-0.288936
+C	-0.566918092	 0.6456437343	 1.144169148	 0.446263
+C	-0.4571065822	-0.13115824	 2.4848459879	-0.290193
+C	-1.9876498013	 0.0547441378	 2.7069854348	-0.232841
+C	-2.1273876971	 0.7392215394	 1.3042407482	-0.231229
+C	-1.988402411	 2.2565526651	 1.4100921314	 0.421005
+O	-2.7675428205	 3.1542156182	 1.5525576936	-0.302992
+C	-0.4529903481	 2.2014038669	 1.2651329501	-0.42522
+H	 1.787657092	-0.5384902342	 0.8007918573	 0.112531
+H	 1.6630096775	-0.4397385476	-0.9745945223	 0.132259
+H	 1.8006095168	 1.051738115	-0.0073446235	 0.111394
+H	-0.1891753034	-1.1768472922	 2.3154808887	 0.113527
+H	 0.2077784332	 0.2859158385	 3.245316477	 0.099734
+H	-2.5419964667	-0.8819445847	 2.777968737	 0.120543
+H	-2.2742555858	 0.6860189197	 3.5509459676	 0.119208
+H	-2.8470991246	 0.3187604623	 0.6026471482	 0.097858
+H	-0.1393122042	 2.6529931156	 0.317643127	 0.139864
+H	 0.1341790622	 2.6340848434	 2.0798523208	 0.1207
+19
+0 5273	2.8260347	1.2704283	1.0292053	1.4489	75.47	-0.24256	-0.02447	0.21809	1189.5406	0.15604	-422.547732	-422.538923	-422.537979	-422.581744	32.714
+O	 0.2735703105	 3.3974131887	 0.5199739942	-0.415542
+C	-0.1140187365	 2.0391838256	 0.6774793729	-0.173835
+C	 0.0900486812	 1.5411150471	 2.0899353607	 0.350027
+C	 1.5474152013	 1.4337090801	 2.6188584475	-0.275446
+C	 1.2956904807	-0.0379126911	 3.0590641468	-0.228299
+C	-0.1695016816	 0.0374093885	 2.5203336542	-0.22213
+C	-1.1527689853	 0.553757283	 3.5710480462	 0.423496
+O	-1.8560489729	 0.0206134445	 4.3793760905	-0.299337
+C	-0.9285615073	 2.0266650119	 3.1687644101	-0.43543
+H	-0.2931661923	 3.9325554598	 1.0854240757	 0.285322
+H	-1.1604914329	 1.8799078556	 0.3674031335	 0.085865
+H	 0.5181111742	 1.4733495685	-0.0161465071	 0.10984
+H	 2.2939559058	 1.530689214	 1.827196481	 0.114294
+H	 1.8094051355	 2.1348859627	 3.415125963	 0.102485
+H	 1.9000535327	-0.7659595822	 2.5149312076	 0.116929
+H	 1.386254184	-0.2536494852	 4.126238389	 0.117857
+H	-0.5100222425	-0.7609386524	 1.8586656616	 0.089638
+H	-1.8468332112	 2.4551533088	 2.7474446918	 0.126219
+H	-0.5655119735	 2.6942546921	 3.955703711	 0.128047
+19
+0 5274	2.7942687	1.5026628	1.2487444	3.0256	73.79	-0.24261	0.04952	0.29213	1076.8861	0.156205	-422.484372	-422.476294	-422.47535	-422.516918	30.963
+C	 1.2631850035	-0.3435358984	 1.0330430048	-0.383089
+C	 1.0296194818	 0.1970490792	-0.3841876872	-0.294329
+C	 1.6880323028	-0.6487525119	-1.4526372948	 0.274519
+C	 1.1150207933	-2.0442099364	-1.8151613898	-0.123926
+O	 1.0115465013	-1.6877561964	-3.2188373274	-0.28528
+C	 1.5513050866	-0.3841377004	-2.9734854447	 0.014788
+C	 3.1008888197	-0.2547013281	-3.0733447499	 0.000348
+O	 3.670903737	-1.468684907	-2.5800064858	-0.223555
+C	 3.2310038344	-0.508813002	-1.6228261794	-0.046088
+H	 0.8589755386	-1.3554821313	 1.1426594397	 0.124024
+H	 2.3303950051	-0.3864140251	 1.2750270225	 0.119931
+H	 0.7779163787	 0.2909596669	 1.7804022876	 0.118567
+H	-0.0473666918	 0.2544150566	-0.5851774558	 0.106062
+H	 1.4091614219	 1.2254101327	-0.4532542403	 0.099375
+H	 1.7752354704	-2.9016379219	-1.6596157868	 0.115763
+H	 0.1244613097	-2.2452681096	-1.3879038579	 0.095325
+H	 0.9680588023	 0.4361419721	-3.4019965147	 0.077646
+H	 3.7040875213	 0.3289054253	-3.7601771759	 0.106579
+H	 3.9585680436	-0.1531526842	-0.9009825842	 0.10334
+19
+0 5275	2.6496563	1.6396696	1.3102265	2.9109	73.65	-0.24041	0.05715	0.29756	1043.0201	0.156262	-422.487794	-422.479761	-422.478817	-422.520232	31.016
+C	 1.2191564034	-1.2359744922	 1.0439852209	-0.391823
+C	 1.4481932615	-0.0627692008	 0.0833851602	-0.285166
+C	 1.9988879635	-0.4632444054	-1.2644337926	 0.449759
+O	 2.3668812304	 0.655616781	-2.0947607365	-0.327965
+C	 3.6683979957	 0.0813416644	-2.3797882572	-0.093298
+C	 3.3591962585	-1.1693950943	-1.5302075913	-0.193934
+C	 2.5862481044	-2.3034496596	-2.2479769263	 0.016995
+O	 1.8661043876	-1.7221004467	-3.3341163862	-0.225318
+C	 1.288275945	-1.6310682676	-2.0318256875	-0.041532
+H	 0.849411134	-0.8756699313	 2.0080101597	 0.121758
+H	 0.4848078162	-1.9478654016	 0.6546650561	 0.122044
+H	 2.1480060324	-1.7856461235	 1.2300148276	 0.119236
+H	 0.5055021059	 0.4751584828	-0.0862452378	 0.112447
+H	 2.1389520331	 0.6612255054	 0.5299218981	 0.109252
+H	 3.8169719803	-0.0854338983	-3.4500018703	 0.116744
+H	 4.4711127677	 0.7113475275	-1.9794586237	 0.098126
+H	 4.036640427	-1.4602043531	-0.7291211941	 0.085409
+H	 2.8392759009	-3.3547751145	-2.3230408556	 0.106231
+H	 0.2828105223	-2.022096532	-1.9144561233	 0.101035
+19
+0 5276	2.7718055	1.5879229	1.3043668	1.0772	74.29	-0.24124	0.07175	0.31299	1043.3006	0.156032	-422.479538	-422.471388	-422.470444	-422.51203	31.28
+C	 1.5208684736	-0.0416762108	 0.0608120766	-0.264192
+O	 0.1078977075	 0.0521548967	 0.0796043703	-0.292486
+C	-0.3955230006	 0.6557726929	 1.2276067564	 0.418414
+C	-0.3168140636	-0.0910263323	 2.5956431755	-0.29141
+C	-1.864277899	 0.0604394797	 2.7529822112	-0.226132
+C	-1.9385185113	 0.7900473677	 1.379419261	-0.134796
+C	-1.7598238216	 2.3278191805	 1.3995452819	 0.016868
+O	-0.8846352223	 2.6645031409	 2.4886905393	-0.237119
+C	-0.2978386123	 2.2181333393	 1.2638632743	-0.056595
+H	 1.8991331836	-0.6548068492	 0.8908185578	 0.11508
+H	 1.7965014995	-0.5157928863	-0.8836095585	 0.129979
+H	 2.0005027836	 0.9461980808	 0.1147532868	 0.109138
+H	 0.0038212976	-1.1277882213	 2.465887235	 0.103254
+H	 0.2874302156	 0.3848323471	 3.3695048506	 0.106701
+H	-2.4010565519	-0.8900921055	 2.7674775493	 0.100191
+H	-2.1794654579	 0.6637334078	 3.604934228	 0.113586
+H	-2.5949132552	 0.4036055652	 0.6007699519	 0.08362
+H	-2.4499047096	 3.0998779847	 1.0779187372	 0.103524
+H	 0.4303124943	 2.867899622	 0.7896975355	 0.102375
+19
+0 5277	2.784706	1.5913212	1.2935386	2.2022	74.23	-0.24508	0.05827	0.30335	1045.5752	0.156586	-422.477826	-422.469808	-422.468864	-422.51016	30.962
+C	 1.2562211322	 0.0906217142	-0.224417407	-0.264366
+O	 0.1352035048	-0.4345976427	 0.4630490778	-0.28919
+C	-0.4026001604	 0.4427912344	 1.3951001833	 0.398067
+C	-1.2526988714	 1.6411274764	 0.8992380349	-0.158395
+O	-2.3488025561	 1.2436738207	 1.7652756497	-0.297656
+C	-1.6514641159	 0.0421396136	 2.1851137599	 0.030698
+C	-0.8692231421	 0.1237131222	 3.514413917	-0.059229
+C	-0.3034307291	 1.4996868018	 3.7115544129	-0.299384
+C	 0.3776948203	 0.5823299376	 2.7369257404	-0.135479
+H	 2.0759061786	 0.3478017001	 0.4611009805	 0.112494
+H	 1.6006954774	-0.6842538374	-0.9123280827	 0.132169
+H	 0.9942035045	 0.987800146	-0.8040861374	 0.112638
+H	-0.9035782261	 2.6574968801	 1.1116235742	 0.10051
+H	-1.5282150629	 1.5531215005	-0.1592497019	 0.104423
+H	-2.2064465588	-0.8765420951	 1.9868971502	 0.08768
+H	-0.9487100216	-0.5921526832	 4.3231539725	 0.087802
+H	-0.8682419205	 2.3642406042	 3.3807324951	 0.131148
+H	 0.2291474372	 1.645951595	 4.64589646	 0.113648
+H	 1.40554073	 0.2652290418	 2.8638278406	 0.092425
+19
+0 5278	2.7267183	1.5056959	1.2490047	1.5963	73.84	-0.25328	0.05717	0.31045	1063.0989	0.156758	-422.493599	-422.485483	-422.484539	-422.526194	31.369
+O	 1.0727708495	 0.8832865281	 0.4933893524	-0.419548
+C	-0.1240659347	 0.2687734519	 0.0305104099	-0.171451
+C	-1.3533096022	 1.0671479733	 0.3913925888	 0.31127
+C	-1.8898874834	 1.0401786119	 1.8585920459	-0.293179
+C	-3.3056672604	 0.6423933553	 1.33431537	-0.220472
+C	-2.781384796	 0.6808230536	-0.1308181157	-0.131873
+C	-2.8343392126	 2.0467047622	-0.8566867877	 0.016599
+O	-2.6768387562	 3.0804350356	 0.1230485147	-0.241954
+C	-1.4992387509	 2.420461132	-0.3536915538	-0.029486
+H	 1.0142352715	 0.9480429035	 1.4524398521	 0.286346
+H	-0.0192587299	 0.2058438965	-1.0592783815	 0.107661
+H	-0.2189268052	-0.7620499496	 0.4084256657	 0.087505
+H	-1.418014635	 0.2677395325	 2.474298512	 0.089361
+H	-1.8442812757	 1.9941842768	 2.3860424319	 0.113308
+H	-3.6252135851	-0.3539753935	 1.6474046827	 0.098457
+H	-4.0990818597	 1.3570424996	 1.5575741955	 0.114298
+H	-2.9296548632	-0.1909955508	-0.7695341645	 0.072412
+H	-3.3601166054	 2.3158061158	-1.7662238343	 0.102736
+H	-0.7138383855	 3.0443941652	-0.7655442343	 0.10801
+19
+0 5279	2.7568779	1.4956851	1.2326652	2.2737	73.77	-0.24788	0.04991	0.29779	1068.3462	0.157359	-422.491983	-422.48398	-422.483035	-422.524435	31.076
+O	 1.6334625644	 0.1743758699	 0.016605571	-0.417965
+C	 0.2423239924	 0.4346058656	-0.1270756205	-0.176661
+C	-0.1411284306	 0.7189031752	-1.559104643	 0.297187
+C	-0.1332945783	-0.4395319462	-2.5794980673	-0.145343
+O	-1.483152981	-0.1129225289	-3.0127159713	-0.301388
+C	-1.5967740723	 0.933602309	-2.0186662127	 0.047472
+C	-1.2713151099	 2.3713330246	-2.4769448581	-0.058176
+C	-0.1908258954	 2.3598060516	-3.5170044116	-0.302199
+C	 0.1996691649	 2.1427286631	-2.0830162532	-0.130462
+H	 2.1113626457	 0.9639151778	-0.2574871148	 0.285353
+H	-0.2637465652	-0.4708111337	 0.2250653154	 0.112173
+H	-0.0808588799	 1.2658944736	 0.5205748347	 0.089665
+H	 0.590262483	-0.3908198296	-3.40040148	 0.103377
+H	-0.0937515974	-1.4347904787	-2.1200224582	 0.105755
+H	-2.4643125631	 0.8110882543	-1.3646833126	 0.076585
+H	-1.9036878046	 3.2343641588	-2.3074807805	 0.087502
+H	-0.1555147434	 1.5592224528	-4.2473524331	 0.133795
+H	 0.0700541893	 3.3363373644	-3.9121435137	 0.113701
+H	 0.8722122015	 2.8261367263	-1.5749133304	 0.079627
+19
+0 5280	2.7980844	1.5448255	1.2945486	2.3213	73.93	-0.2453	0.05587	0.30117	1043.1084	0.157622	-422.496977	-422.489113	-422.488168	-422.529316	30.841
+O	 1.5744829375	 0.6537422673	-0.2553080105	-0.421115
+C	 0.5869792715	 0.1163426441	 0.6072403351	-0.155044
+C	-0.3376247004	 1.2103935762	 1.0781383797	 0.441406
+O	-1.0260715042	 1.8275148782	-0.0575962036	-0.35383
+C	-2.3256837765	 1.5657580366	 0.5424838406	-0.113354
+C	-1.6695156063	 1.022634684	 1.8268446398	-0.146819
+C	-1.1782049015	 2.0275937054	 2.8956681456	-0.069874
+C	-0.764853956	 3.3491799467	 2.310403882	-0.297316
+C	 0.1686028896	 2.186778191	 2.1629472221	-0.090744
+H	 1.0940475494	 1.1350674027	-0.9403024876	 0.296495
+H	-0.0003843711	-0.6718204745	 0.1099726442	 0.085801
+H	 1.1125920108	-0.3360244209	 1.4549400284	 0.109146
+H	-2.9305652529	 2.4751318102	 0.6285032995	 0.106134
+H	-2.8807903487	 0.8142882237	-0.0316240054	 0.10428
+H	-1.9865308234	 0.0504606004	 2.2023987291	 0.080836
+H	-1.3611118473	 1.9137857821	 3.9570246799	 0.090007
+H	-1.2492687264	 3.764877639	 1.433953778	 0.129252
+H	-0.4590653258	 4.0888634207	 3.0433588668	 0.113096
+H	 1.1784929918	 2.194077897	 2.5546796763	 0.091643
+19
+0 5281	1.9640026	1.6916693	1.0571182	2.1975	77.32	-0.24131	-0.02793	0.21338	1174.3509	0.155249	-422.522995	-422.513951	-422.513007	-422.557012	32.8
+C	 1.2352153193	 0.9807358337	 0.464003714	-0.377681
+C	 0.9058588458	-0.4786904578	 0.1221475336	-0.307098
+C	 1.6842876699	-0.9903555951	-1.0567603466	 0.265732
+C	 3.1678042705	-1.3792253928	-1.0508780432	-0.135092
+O	 2.9220252371	-2.4656223191	-1.9914501005	-0.28936
+C	 1.5418550414	-2.1555091882	-1.9727724232	 0.062092
+C	 1.3113691433	-0.7430294272	-2.5357104328	-0.204039
+C	-0.0864110736	-0.4268053878	-2.8793031101	 0.123878
+O	-1.0614792731	-0.8228709662	-2.2748180404	-0.283446
+H	 0.6650556348	 1.3140099508	 1.3359399636	 0.11906
+H	 2.2988809213	 1.1120605117	 0.6921496489	 0.113725
+H	 0.9901105046	 1.6451098861	-0.3710650692	 0.121014
+H	 1.1258421601	-1.1192538309	 0.9860936828	 0.10091
+H	-0.161519392	-0.5852840415	-0.0857217256	 0.146182
+H	 3.9012079992	-0.6591197365	-1.4291983102	 0.113782
+H	 3.4954434585	-1.779849841	-0.0853510393	 0.119933
+H	 0.8045008573	-2.9424754476	-2.0763209349	 0.1329
+H	 2.0683242139	-0.3507101071	-3.2099067234	 0.09569
+H	-0.2034021281	 0.2011272466	-3.7898100734	 0.081819
+19
+0 5282	2.0246542	1.6835096	1.0771076	1.5944	77.84	-0.24062	-0.02755	0.21307	1164.039	0.155221	-422.52801	-422.518958	-422.518014	-422.561977	32.855
+C	 1.245265508	-0.2786993875	 1.0748640543	-0.380457
+C	 0.8574256024	 0.2277543228	-0.3209278797	-0.304161
+C	 1.6013512021	-0.4790496366	-1.4073644295	 0.501986
+O	 3.0225939635	-0.341549118	-1.4523574923	-0.319439
+C	 2.9822014134	-0.3472247664	-2.9091484568	-0.110124
+C	 1.485821079	-0.6102112035	-2.8882991907	-0.198143
+C	 1.2353080353	-1.8511312893	-2.024445865	-0.191699
+C	-0.16422216	-2.3007111474	-1.9162859555	 0.12054
+O	-1.1355038449	-1.5988106676	-2.1058188157	-0.28073
+H	 0.9852485687	-1.3352398589	 1.1961993405	 0.117353
+H	 2.3211428259	-0.1750957421	 1.2423167388	 0.136206
+H	 0.722631913	 0.2886017374	 1.8499547788	 0.116542
+H	-0.2137538049	 0.1022577285	-0.4997217046	 0.142433
+H	 1.0759947807	 1.2992710193	-0.402781385	 0.110716
+H	 3.2485378469	 0.6405851137	-3.2998030101	 0.121152
+H	 3.6361569448	-1.1117625065	-3.3426945623	 0.113063
+H	 0.7229008131	-0.253481516	-3.5661799751	 0.127309
+H	 1.9955137859	-2.6257649427	-1.9715805135	 0.097244
+H	-0.2844668531	-3.3683020993	-1.6286782865	 0.080208
+19
+0 5283	2.1139724	1.5157042	1.0091034	3.2922	78.19	-0.24096	-0.01587	0.22509	1212.1833	0.155361	-422.52225	-422.513199	-422.512254	-422.556242	32.841
+C	 1.4699118358	 0.0562086382	-0.0482500274	-0.26793
+O	 0.0529673611	-0.0515633295	 0.0111448752	-0.276323
+C	-0.4969004867	 0.5460734529	 1.117526105	 0.440033
+C	-0.4885188515	-0.0451252976	 2.5363583185	-0.305181
+C	-1.948327447	 0.4954773971	 2.716025398	-0.232515
+C	-1.8997194633	 1.0474421273	 1.2861894941	-0.160339
+C	-0.7445101134	 2.0567067439	 1.1948755826	-0.179098
+C	-0.6543554458	 2.8111637517	-0.0733010286	 0.149345
+O	-0.2630832422	 3.9517698326	-0.1575915528	-0.282479
+H	 1.9454091473	-0.410822046	 0.8245360889	 0.119062
+H	 1.7885400718	-0.4674568161	-0.9512709317	 0.135146
+H	 1.7871411649	 1.1060708931	-0.1048997895	 0.127195
+H	-0.4564895228	-1.1367871699	 2.5146510048	 0.118568
+H	 0.2755553098	 0.326316613	 3.2246847361	 0.105196
+H	-2.6771057873	-0.307861305	 2.8389698967	 0.116301
+H	-2.1005974595	 1.2377787233	 3.5042780017	 0.110211
+H	-2.7153207454	 1.0811126786	 0.5741579081	 0.107917
+H	-0.4529816534	 2.6221207281	 2.0772632455	 0.095148
+H	-0.9808130622	 2.2462406942	-0.9743099453	 0.079743
+19
+0 5284	2.4708612	1.5249862	1.0860681	3.4375	77.42	-0.25499	-0.03471	0.22028	1140.4405	0.156298	-422.533116	-422.52429	-422.523346	-422.566848	32.494
+O	 1.3429972658	 0.0266058068	 0.5319847169	-0.416914
+C	 0.1426420995	-0.4063040865	-0.055695871	-0.159028
+C	-0.3430835381	 0.3354593221	-1.2831975873	 0.295046
+C	-1.7602098977	 0.0813108097	-1.8339850201	-0.282997
+C	-1.2087523358	 0.2389730295	-3.2887304894	-0.248077
+C	 0.1693976784	 0.5181930516	-2.6951686227	-0.084176
+C	 0.0880379257	 1.7277413696	-1.7598627366	-0.162885
+C	 1.3997854267	 2.2994240143	-1.3803078728	 0.132518
+O	 2.4572651488	 1.7024653579	-1.3785558275	-0.29606
+H	 1.9973803976	 0.1713694917	-0.1639560459	 0.297675
+H	 0.1770294047	-1.4801484343	-0.3141536555	 0.089963
+H	-0.6277927323	-0.3036614254	 0.7205994753	 0.109431
+H	-2.1059054365	-0.9346036966	-1.6260569258	 0.114262
+H	-2.5333245989	 0.7847532079	-1.5102123145	 0.105085
+H	-1.2497039211	-0.6972687288	-3.8498294367	 0.113828
+H	-1.6415826581	 1.0342824727	-3.9032611523	 0.104339
+H	 1.1390068436	 0.2685552898	-3.1096615777	 0.110598
+H	-0.6893403385	 2.4742857724	-1.9132351054	 0.085844
+H	 1.3736216661	 3.3818334858	-1.133450111	 0.091548
+19
+0 5285	2.3233475	1.7309624	1.3530641	2.3658	75.21	-0.24207	0.00714	0.24921000000000001	1034.8866	0.15715	-422.533346	-422.525127	-422.524182	-422.566265	30.95
+C	 1.4048856997	-0.0720726243	-0.1084100088	-0.259979
+O	 0.0171461079	-0.117623019	 0.1503152667	-0.295971
+C	-0.4296792255	 0.6340321184	 1.2492033702	 0.371678
+C	-1.9323413838	 0.9452179996	 1.105510183	-0.119434
+O	-1.6982692966	 2.3673174839	 1.0301222409	-0.293708
+C	-0.2694773884	 2.1888388368	 1.2290333445	 0.018252
+C	 0.2008499063	 2.5328017129	 2.6114580278	-0.079006
+C	 0.3627373236	 1.44269412	 3.3650725098	-0.062654
+C	 0.0532547762	 0.1557076358	 2.6386202259	-0.350285
+H	 2.003304095	-0.5079513693	 0.7038584914	 0.110232
+H	 1.5728879273	-0.6595507774	-1.0138208527	 0.132764
+H	 1.7560987191	 0.9544447637	-0.284198063	 0.112712
+H	-2.3674233782	 0.5480129058	 0.1823675712	 0.111118
+H	-2.5602480044	 0.6734607145	 1.9629223241	 0.096136
+H	 0.2947388196	 2.6574354168	 0.4153484662	 0.078917
+H	 0.362161781	 3.5528635247	 2.9411138965	 0.101303
+H	 0.6827842521	 1.4510050673	 4.4021852463	 0.100825
+H	 0.9343790351	-0.4929330364	 2.5628473263	 0.113252
+H	-0.7140450959	-0.4364999539	 3.1525116335	 0.113849
+19
+0 5286	2.8051139	1.5316108	1.2212991	2.2874	75.44	-0.24722	0.01553	0.26275	1065.8166	0.158107	-422.554875	-422.546867	-422.545923	-422.587429	30.838
+O	 0.8977125048	 0.9232463704	 0.3171514071	-0.423684
+C	 0.1127154103	-0.2410736003	 0.4927484209	-0.125418
+C	-1.3393826341	 0.1371951934	 0.7248203057	 0.413807
+C	-1.6499492891	 0.8545731792	 2.0512754832	-0.306153
+C	-2.9903458493	 0.2800346555	 2.4456076816	-0.064745
+C	-3.414416976	-0.6775476737	 1.6190516307	-0.085756
+C	-2.4550952701	-0.9205581222	 0.4880246335	-0.179556
+C	-2.730083415	-0.1292153714	-0.8135425554	-0.082813
+O	-1.8077214512	 0.9128839881	-0.4232593747	-0.338272
+H	 0.44761561	 1.434263645	-0.3678427134	 0.292463
+H	 0.1832488547	-0.9094833033	-0.3811404307	 0.08104
+H	 0.5169259579	-0.7776444852	 1.3580767726	 0.106591
+H	-0.8821990247	 0.6733682119	 2.8144735762	 0.109252
+H	-1.6847989296	 1.9377436262	 1.8900596912	 0.124899
+H	-3.5315490189	 0.6247481104	 3.3203988287	 0.096873
+H	-4.3480219776	-1.2206873004	 1.7180563169	 0.096486
+H	-2.1647837026	-1.9664794792	 0.3552317165	 0.080366
+H	-2.4087237504	-0.6346622853	-1.733432829	 0.098804
+H	-3.746921469	 0.2557462809	-0.9462540016	 0.105817
+19
+0 5287	2.2905974	1.6637095	1.309384	2.7098	74.9	-0.24276	0.00827	0.25103	1049.3837	0.157698	-422.548245	-422.539985	-422.53904	-422.581111	31.243
+O	 1.04080001	 0.7484314969	 0.3113918428	-0.418481
+C	-0.2078782821	 0.146460845	 0.0068247599	-0.164103
+C	-1.40014768	 1.0209003232	 0.3722337504	 0.272805
+C	-2.6998721446	 0.6681971292	-0.3939382778	-0.130378
+O	-2.6300191595	 1.8703170527	-1.1874601895	-0.296538
+C	-1.5214741044	 2.3698290142	-0.3867241787	 0.062351
+C	-1.927996748	 3.3569704333	 0.6707832381	-0.084886
+C	-1.9627660291	 2.7970321079	 1.8811779926	-0.060192
+C	-1.5663154849	 1.3373723006	 1.8727782935	-0.351726
+H	 1.14410759	 0.7660605388	 1.2675271632	 0.286161
+H	-0.1981985009	-0.0152975263	-1.0764253786	 0.117355
+H	-0.3049113717	-0.8432349176	 0.4827993356	 0.087955
+H	-2.6636613892	-0.2337982269	-1.0182792969	 0.098953
+H	-3.6025658061	 0.6342351598	 0.2302745091	 0.09582
+H	-0.6949669118	 2.6991010645	-1.0249590423	 0.088211
+H	-2.1702330654	 4.3896257166	 0.447130209	 0.101992
+H	-2.235888099	 3.311533154	 2.7969927067	 0.09954
+H	-0.6373354882	 1.1795814368	 2.4410638418	 0.085666
+H	-2.3193229551	 0.6975963773	 2.3511223511	 0.109495
+19
+0 5288	2.280315	1.6544872	1.1983656	4.0457	74.55	-0.26486	0.01211	0.27697	1104.7415	0.156999	-422.575451	-422.566884	-422.565939	-422.608772	31.734
+C	 1.1589032328	-0.2932860989	 0.9123562097	-0.386457
+C	 0.9481510703	 0.2773684123	-0.4969742724	-0.298402
+C	 1.6956737593	-0.5119124006	-1.5523666847	 0.152541
+C	 1.2213994059	-1.9605490232	-1.9300505871	-0.28689
+C	 1.2961541655	-1.5943562897	-3.4444645682	-0.236487
+C	 1.8196698709	-0.1960187006	-3.0711629462	 0.046819
+O	 3.2793087578	-0.1766433499	-2.9503194863	-0.262437
+C	 3.2207622222	-0.4161017822	-1.595361888	 0.43617
+O	 4.1332825512	-0.4911018605	-0.8343773972	-0.337155
+H	 0.7922119093	-1.3228850867	 0.9816894604	 0.11869
+H	 2.2206614432	-0.2970383062	 1.1724790816	 0.152125
+H	 0.6220766106	 0.3026721633	 1.6558465175	 0.115729
+H	-0.1209135733	 0.2808708031	-0.745479952	 0.099325
+H	 1.2781979149	 1.3232268804	-0.5245653122	 0.109899
+H	 1.864862502	-2.7727749786	-1.5875482096	 0.124386
+H	 0.203719469	-2.1562196105	-1.5845554467	 0.115642
+H	 1.9823033726	-2.1770365453	-4.0614299236	 0.125124
+H	 0.3175190015	-1.569312928	-3.9293266726	 0.114192
+H	 1.4576268145	 0.702704602	-3.5689219325	 0.097186
+19
+0 5289	2.2737201	1.6276756	1.1820342	1.9279	75.24	-0.2436	-0.02815	0.21545	1111.0577	0.155675	-422.542141	-422.533333	-422.532389	-422.57585	32.347
+C	 2.29218622	 1.8241040492	-1.2266078599	-0.387265
+C	 1.591856887	 0.6640369477	-0.5045661656	-0.300239
+C	 1.9507445881	-0.6830371034	-1.0997646479	 0.181622
+C	 1.416644378	-1.0593956477	-2.5087833283	-0.122451
+O	 0.9753572852	-2.3588011575	-2.062425862	-0.288559
+C	 1.3965149072	-2.0990824901	-0.7113817359	 0.039825
+C	 2.8229377598	-2.6276352501	-0.4272497213	-0.360905
+C	 3.3649103662	-1.251734443	-0.8683625545	 0.357037
+O	 4.4603829398	-0.7711179176	-0.9300652683	-0.29983
+H	 2.0321660066	 2.7815806624	-0.7661102824	 0.115562
+H	 3.3777349505	 1.7036284357	-1.1875708297	 0.150847
+H	 1.9966106393	 1.8719167576	-2.2804908336	 0.117313
+H	 1.8642716822	 0.6765459498	 0.558140843	 0.1046
+H	 0.5027331952	 0.7937064281	-0.5476406513	 0.10387
+H	 0.5692295361	-0.4357003915	-2.8222364822	 0.109688
+H	 2.1432736942	-1.1155261605	-3.3271464813	 0.117494
+H	 0.6124378257	-2.2831566537	 0.0257557959	 0.086128
+H	 3.0273937827	-2.8097685846	 0.6340812418	 0.134607
+H	 3.1381846563	-3.4972047109	-1.0084423663	 0.140657
+19
+0 5290	2.241944	1.7033803	1.2126925	3.3856	75.75	-0.23076	-0.03104	0.19971999999999998	1098.2954	0.155704	-422.541853	-422.533048	-422.532104	-422.575489	32.403
+C	 2.6654798202	-1.0521381543	 1.150812787	-0.388059
+C	 1.850245128	-0.1275634793	 0.2351844792	-0.287401
+C	 1.8688478019	-0.5992130754	-1.1951779774	 0.354868
+O	 3.1980441356	-0.6247171245	-1.7908854656	-0.323989
+C	 2.762186905	 0.1582513356	-2.92883371	-0.080768
+C	 1.29728452	 0.1056828155	-2.4793123147	-0.164971
+C	 0.558785588	-1.1952971672	-2.8932454803	-0.362256
+C	 1.119322807	-1.8881305309	-1.6310451254	 0.376551
+O	 0.9961283434	-2.9794738533	-1.1577150114	-0.294282
+H	 2.6550942357	-0.6840536577	 2.1805718037	 0.110378
+H	 2.2579224505	-2.0663020412	 1.1397166128	 0.14545
+H	 3.7044443077	-1.1004921155	 0.8138488656	 0.137186
+H	 0.8072673911	-0.0789414731	 0.5737486479	 0.102689
+H	 2.247333294	 0.8944115747	 0.2740459282	 0.103211
+H	 3.2138501465	 1.1576524443	-2.9119142945	 0.107914
+H	 2.9999966607	-0.3271015154	-3.8828728873	 0.107049
+H	 0.7203180853	 1.0276995457	-2.454307868	 0.088177
+H	-0.5326559819	-1.1193436168	-2.8478987192	 0.136448
+H	 0.8322338812	-1.6430367612	-3.8530777806	 0.131804
+19
+0 5291	2.2154751	1.7390514	1.2192946	2.1867	75.73	-0.22206	-0.02486	0.19720000000000001	1088.8712	0.155422	-422.53328	-422.524338	-422.523394	-422.567334	32.637
+C	 1.4726959033	 0.0062804338	 0.042799614	-0.271419
+O	 0.0495469799	 0.0196208651	 0.0320351556	-0.292254
+C	-0.5146783548	 0.635579845	 1.1405309898	 0.338397
+C	-0.4437868726	-0.099553559	 2.5223718532	-0.304567
+C	-1.9960407253	-0.0271458317	 2.6409565301	-0.220865
+C	-2.0789137104	 0.7624248263	 1.3112773303	-0.103621
+C	-1.9475157858	 2.3038178308	 1.4709504612	-0.356534
+C	-0.4265575845	 2.17346116	 1.2514162144	 0.339712
+O	 0.4598131014	 2.9657749387	 1.098739564	-0.304485
+H	 1.8631123625	-0.5460445163	 0.9096203793	 0.108938
+H	 1.7865507001	-0.5040509301	-0.8701533601	 0.127972
+H	 1.8814804655	 1.0222794439	 0.0559032329	 0.144376
+H	-0.070468576	-1.1180978173	 2.3943546522	 0.120195
+H	 0.1366842169	 0.3910528002	 3.3070071492	 0.11017
+H	-2.4707829933	-1.0093484306	 2.5950415871	 0.111207
+H	-2.3852614195	 0.4986243895	 3.5166654499	 0.102801
+H	-2.7641040458	 0.414455486	 0.5405813888	 0.085504
+H	-2.4162194955	 2.882487827	 0.6683293578	 0.138568
+H	-2.2564630265	 2.7326194388	 2.4287908103	 0.125904
+19
+0 5292	2.3222002	1.6414114	1.1918367	3.2875	75.29	-0.24471	-0.02823	0.21648	1091.1752	0.156715	-422.549551	-422.540935	-422.539991	-422.583127	32.178
+O	-1.0992571971	 2.7279356282	 0.0623455906	-0.423059
+C	-0.1763202271	 1.6603690888	-0.0649796884	-0.17306
+C	-0.343675783	 0.6861261883	 1.0850972151	 0.224434
+C	 0.1066477152	 1.1337697699	 2.5160491684	-0.275969
+C	 0.9098819666	-0.18864874	 2.6903954687	-0.218691
+C	 0.3779570751	-0.7067797473	 1.3323571237	-0.107914
+C	-1.0086983062	-1.4147742911	 1.4060265884	-0.356257
+C	-1.6709139108	-0.0601444696	 1.1055262657	 0.372431
+O	-2.7921253522	 0.2881331467	 0.8412844157	-0.326338
+H	-1.9771743352	 2.3277437737	 0.1222365978	 0.297454
+H	-0.2949562565	 1.1334492744	-1.0265713662	 0.087194
+H	 0.8253445573	 2.1056245256	-0.0588146885	 0.105097
+H	 0.7225743103	 2.0351640048	 2.4857482206	 0.122007
+H	-0.7029710971	 1.3048667003	 3.2290434108	 0.114602
+H	 1.9904145064	-0.0274730159	 2.6920595737	 0.109354
+H	 0.65798021	-0.8025448099	 3.5595352262	 0.102434
+H	 1.0896474616	-1.1329823359	 0.6257671285	 0.078667
+H	-1.1960316976	-2.1434513575	 0.6106417509	 0.13745
+H	-1.2756253397	-1.8771463334	 2.3612795284	 0.130164
+19
+0 5293	2.3505089	1.7418721	1.347621	2.1307	75.95	-0.2468	0.00778	0.25458	1034.2058	0.157081	-422.537387	-422.529162	-422.528217	-422.570135	31.013
+C	 1.4503286836	-0.0750259796	 0.0126133695	-0.255423
+O	 0.0387364148	-0.0665246747	 0.1025800587	-0.287801
+C	-0.4807545984	 0.6411771481	 1.1955531121	 0.338758
+C	-1.9962611649	 0.8810993746	 1.0609003044	-0.123155
+O	-1.834169054	 2.2844897029	 1.3556101104	-0.295708
+C	-0.391963433	 2.2019610952	 1.2807995175	 0.062196
+C	 0.2876845336	 2.5644666495	 2.6047671148	-0.282354
+C	 0.3866583757	 1.2298910166	 3.313719612	-0.054313
+C	-0.0112604273	 0.2034179538	 2.5610098223	-0.168102
+H	 1.9194105394	-0.5454651435	 0.8867526045	 0.114789
+H	 1.705063982	-0.6481884546	-0.8816088336	 0.129497
+H	 1.8577539887	 0.9415016589	-0.0917763048	 0.107553
+H	-2.3539059187	 0.7093401534	 0.0380249695	 0.105062
+H	-2.6535709185	 0.3807874996	 1.7798439327	 0.102788
+H	-0.0032069607	 2.7293945498	 0.403119191	 0.075165
+H	 1.2732602654	 3.0291085953	 2.4677280307	 0.104025
+H	-0.3320196003	 3.2830891279	 3.1534928982	 0.126724
+H	 0.738544894	 1.1455076308	 4.3367382808	 0.100455
+H	-0.0333426314	-0.836592414	 2.8681497692	 0.099844
+19
+0 5294	2.287746	1.6990859	1.3259123	1.8503	75.82	-0.24752	0.00503	0.25255	1041.1696	0.157843	-422.550793	-422.542633	-422.541688	-422.583471	31.107
+O	 1.1630938392	 0.7486106648	-0.3930265532	-0.421994
+C	 0.2016126454	 0.0309888606	 0.3625833564	-0.142733
+C	-1.2049245985	 0.5770485403	 0.1629269357	 0.215028
+C	-2.401402743	-0.3291160342	 0.5495572412	-0.122463
+O	-3.0036769506	-0.1493832685	-0.7475522066	-0.297141
+C	-1.8388823873	 0.5440473281	-1.2572506015	 0.100962
+C	-2.1395886745	 1.9877409634	-1.6826512303	-0.284146
+C	-1.8618380063	 2.7767777676	-0.4221588755	-0.06149
+C	-1.3662403696	 2.0235841094	 0.562307606	-0.170969
+H	 1.0337806437	 1.6855663456	-0.2059402133	 0.282545
+H	 0.2568984875	-1.0059410055	 0.0143575779	 0.10939
+H	 0.4521504191	 0.0279681135	 1.4376572946	 0.085247
+H	-2.1318321721	-1.3789555644	 0.733957097	 0.09373
+H	-3.0490764066	 0.0249544482	 1.3594924736	 0.102145
+H	-1.323630639	-0.0474188852	-2.0211271465	 0.079627
+H	-1.5120721258	 2.3187420901	-2.5201345299	 0.110101
+H	-3.1828834432	 2.0712104178	-2.0095116526	 0.124582
+H	-2.0655405423	 3.83982787	-0.3444815157	 0.100785
+H	-1.1137765161	 2.3809295783	 1.5564152029	 0.096794
+19
+0 5295	2.2946363	1.6867024	1.2972865	2.5981	75.22	-0.24119	0.00932	0.25051	1054.3172	0.157556	-422.550574	-422.542246	-422.541301	-422.58368	31.385
+O	 1.6024347095	 0.5573807171	-0.1886097709	-0.41058
+C	 0.2464387609	 0.3329969202	 0.1561674732	-0.138124
+C	-0.4363264247	 1.5647771589	 0.7355326258	 0.370265
+O	-1.8315956983	 1.2519263875	 1.0232554535	-0.327
+C	-1.6988404964	 1.7381340564	 2.3760539486	-0.083695
+C	-0.1875223736	 2.0038764059	 2.2108784947	-0.139139
+C	 0.2774906435	 3.470660667	 2.1842031898	-0.2829
+C	 0.1071460003	 3.8588335934	 0.730667068	-0.074216
+C	-0.2586392351	 2.8398278459	-0.0465493883	-0.09803
+H	 2.0777495647	 0.7952059405	 0.6139479634	 0.284063
+H	-0.2647581539	 0.0536282383	-0.7717955339	 0.120139
+H	 0.1285083328	-0.5063771603	 0.8579340283	 0.090754
+H	-2.3045080713	 2.6370755896	 2.5521888785	 0.099575
+H	-1.9786546783	 0.9715598006	 3.1078998884	 0.102717
+H	 0.4487269178	 1.3504705266	 2.8112582097	 0.070566
+H	-0.3166961765	 4.1060172728	 2.8540862608	 0.109456
+H	 1.3205628128	 3.5827506241	 2.5084178398	 0.105707
+H	 0.2781428591	 4.8730265839	 0.3844922203	 0.099294
+H	-0.4274634932	 2.8889427216	-1.1161697997	 0.101148
+19
+0 5296	2.7521179	1.641713	1.2356835	1.5795	73.86	-0.23675	0.0697	0.30645	1055.0951	0.157186	-422.49593	-422.488212	-422.487268	-422.528076	30.172
+C	 3.6907794855	 0.2893227189	 0.6708691828	-0.386668
+C	 2.2915600397	 0.0240452939	 0.0992752296	-0.298285
+C	 2.2970082367	-0.6617371014	-1.2467333329	 0.306383
+C	 2.9332869929	-0.0099293197	-2.468994958	-0.150961
+O	 2.6941695191	-0.9942469409	-3.4988761689	-0.275818
+C	 2.0077927976	-2.0009391634	-2.80670096	 0.101281
+C	 1.0153304422	-1.4048853628	-1.7697227944	-0.036212
+O	 1.2464732493	-2.5325412173	-0.8629208082	-0.31757
+C	 2.5799541276	-2.2038828519	-1.3743996339	-0.022708
+H	 3.623366909	 0.7414309139	 1.6646867538	 0.119031
+H	 4.2613387383	-0.640438842	 0.7674785498	 0.120249
+H	 4.2686474641	 0.9704261766	 0.0375942469	 0.117837
+H	 1.7230954975	-0.6116713818	 0.7869770247	 0.121704
+H	 1.7422877754	 0.9713758847	 0.0178516208	 0.097678
+H	 2.4569115882	 0.9394547946	-2.7446125078	 0.107725
+H	 4.0115769554	 0.157370109	-2.3658831384	 0.110668
+H	 1.7392520114	-2.8416331819	-3.4419828842	 0.103716
+H	-0.0040630128	-1.0348936971	-1.8837853181	 0.090805
+H	 3.4267855828	-2.7921430713	-1.0202490537	 0.091144
+19
+0 5297	2.745446	1.7041996	1.2707499	1.2276	74.42	-0.23525	0.07379	0.30904	1040.3583	0.157065	-422.499536	-422.491807	-422.490863	-422.531656	30.233
+C	 1.0092067596	-1.3143176797	 0.6655574382	-0.383047
+C	 1.5728258438	-0.0458692122	 0.0141176532	-0.288413
+C	 2.1965651414	-0.3000701978	-1.3292300926	 0.476204
+O	 3.2847529308	-1.1958600805	-1.2795960466	-0.322099
+C	 3.7125145594	-1.2880572363	-2.6546049555	-0.1182
+C	 2.7307851675	-0.3531150684	-3.336010108	-0.09284
+C	 2.4793848798	 0.8405760668	-2.3659629777	-0.021999
+O	 1.0607997851	 0.8948585203	-2.7293710577	-0.317439
+C	 1.352857069	-0.5380479964	-2.6324305262	-0.013324
+H	 0.5745042558	-1.0877812778	 1.643346982	 0.112487
+H	 0.223430235	-1.7604537969	 0.0467493206	 0.114121
+H	 1.7938349118	-2.0627708978	 0.8032518232	 0.134464
+H	 0.7840143179	 0.6988002882	-0.1335409439	 0.121563
+H	 2.3291193948	 0.404112739	 0.6685240633	 0.10591
+H	 4.7567301649	-0.964737158	-2.7409076194	 0.110484
+H	 3.6373433636	-2.3264525056	-2.9991679407	 0.110104
+H	 2.7747589668	-0.181810508	-4.4095483414	 0.089167
+H	 3.0211421701	 1.7808247321	-2.2600645079	 0.091189
+H	 0.5496347529	-1.2428414011	-2.847958793	 0.091666
+19
+0 5298	2.7480869	1.7477035	1.2856492	2.7338	74.37	-0.22305	0.07546	0.29851	1025.2554	0.157192	-422.489242	-422.481402	-422.480458	-422.521759	30.162
+C	 1.4183925618	-0.1534800149	-0.0739991866	-0.259863
+O	 0.022073924	 0.0421462498	 0.0391914158	-0.296211
+C	-0.380227405	 0.7532584758	 1.1513509584	 0.468763
+C	-0.0386494938	 2.2426972085	 1.265141383	-0.311048
+C	-0.7828698663	 2.5941298166	 2.5855082503	-0.25385
+C	-1.3818799205	 1.2343513449	 2.9332814183	-0.037835
+C	-1.8380396929	 0.5057585425	 1.6378401168	-0.007013
+O	-1.4737364028	-0.7987216774	 2.2050313689	-0.319716
+C	-0.3786027082	 0.0996360047	 2.5881894109	-0.024172
+H	 1.8274522486	-0.6657318919	 0.8081288366	 0.111744
+H	 1.57865147	-0.7825143106	-0.9520623131	 0.132894
+H	 1.9606925707	 0.7921602079	-0.2140911958	 0.109954
+H	 1.0387281627	 2.4193031735	 1.3318701153	 0.103327
+H	-0.4108441613	 2.7996492733	 0.400061535	 0.1098
+H	-0.1068818471	 2.956493813	 3.365714803	 0.105346
+H	-1.5533106542	 3.3571910283	 2.4408717559	 0.107872
+H	-1.995257502	 1.1075283516	 3.8231858541	 0.083553
+H	-2.7706374138	 0.5810206839	 1.0775261264	 0.090088
+H	 0.4382239804	-0.3113882296	 3.1829447068	 0.086368
+19
+0 5299	2.7857965	1.7603472	1.3111804	1.462	74.45	-0.23898	0.07983	0.31881	1009.0185	0.157866	-422.501506	-422.493852	-422.492907	-422.533707	29.706
+C	 1.5622538445	-0.1794878008	-0.0666719614	-0.262885
+O	 0.154589386	-0.217130511	 0.0895560058	-0.303814
+C	-0.3326010749	 0.522622123	 1.1529245587	 0.424851
+C	-0.026774102	 0.0808080807	 2.5920309986	-0.156069
+O	-0.779477915	 1.0508937719	 3.3274836302	-0.280493
+C	-1.3636164587	 1.8292718645	 2.2948171286	 0.143273
+C	-1.8399539757	 0.9266755157	 1.1231474466	-0.148907
+C	-1.5021073171	 2.069091979	 0.1363023823	-0.263648
+C	-0.3413154643	 2.1043147503	 1.1582384418	-0.163197
+H	 2.0843663808	-0.6584742332	 0.772899139	 0.115244
+H	 1.7933342651	-0.7291689555	-0.9815520271	 0.132096
+H	 1.9299066994	 0.8509852545	-0.1665905127	 0.115161
+H	-0.3866441344	-0.9339119077	 2.8030041158	 0.106629
+H	 1.0345410776	 0.1446612382	 2.8608225649	 0.099632
+H	-1.9917090101	 2.6184459003	 2.7025805212	 0.091753
+H	-2.6887514966	 0.242420946	 1.11419658	 0.076313
+H	-1.2412517291	 1.758576586	-0.8758355336	 0.111193
+H	-2.1771623445	 2.9290996576	 0.1295537713	 0.091536
+H	 0.5171288887	 2.7757332505	 1.1969575199	 0.07133
+19
+0 5300	2.7153162	1.6438382	1.2245121	3.1618	74.1	-0.2303	0.06414	0.29444000000000004	1048.202	0.157929	-422.504426	-422.496677	-422.495733	-422.536599	30.366
+O	 1.4228635736	 0.6390815786	 0.1519912024	-0.419586
+C	 0.1374204751	 0.0271229645	 0.1083822612	-0.187602
+C	-0.5995321492	 0.1321366284	 1.4222982425	 0.343298
+C	-0.0310798879	-0.5310970577	 2.6768723575	-0.316235
+C	-1.1117422071	-0.1413494243	 3.7313952168	-0.254214
+C	-2.0655202662	 0.6590607054	 2.8544475083	-0.034333
+C	-2.1607728932	 0.0087894223	 1.4442341332	 0.000199
+O	-2.3091753736	 1.3255925973	 0.8099213833	-0.320618
+C	-1.2566346724	 1.4958367969	 1.8232953505	 0.019508
+H	 1.988699984	 0.0996702359	 0.7124733473	 0.283735
+H	-0.4313150342	 0.5629675853	-0.6560240033	 0.129453
+H	 0.2102447154	-1.0276429735	-0.2023916763	 0.082539
+H	 0.0676189086	-1.6156061131	 2.5571105196	 0.100939
+H	 0.9582417574	-0.1380397698	 2.9333737491	 0.100009
+H	-1.5953333173	-1.0150658629	 4.1785463661	 0.10565
+H	-0.702487384	 0.4589443067	 4.5494315635	 0.106897
+H	-2.9693212702	 1.0979200862	 3.2752247975	 0.079998
+H	-2.7999687588	-0.8023758202	 1.0905679015	 0.086399
+H	-0.7969765801	 2.4796930541	 1.9217198894	 0.093963
+19
+0 5301	2.7472383	1.644669	1.2426875	0.996	74.29	-0.24023	0.05942	0.29964999999999997	1036.4811	0.158351	-422.513455	-422.505807	-422.504863	-422.54561	30.008
+O	 1.6873147167	 0.7259519636	 0.1406592361	-0.41499
+C	 0.7149707649	-0.2123206922	 0.5899171307	-0.195373
+C	-0.2507416447	 0.3777491079	 1.5927501118	 0.303194
+C	 0.3062459776	 0.8220068697	 2.9482133306	-0.15497
+O	-0.8726616705	 1.3083506424	 3.6002747382	-0.2803
+C	-1.8621298619	 1.0935090881	 2.615632187	 0.144417
+C	-1.652889044	-0.2754833947	 1.9034037618	-0.14007
+C	-2.2301462907	 0.3493730705	 0.6128904076	-0.267493
+C	-1.3289063693	 1.4586202148	 1.1998392108	-0.116875
+H	 2.2767723395	 0.9226308019	 0.8747445086	 0.286185
+H	 0.1869978407	-0.5373557134	-0.3108825456	 0.11542
+H	 1.1945446625	-1.106907403	 1.0197886754	 0.089755
+H	 0.7454200739	-0.0045910664	 3.5233444892	 0.098915
+H	 1.0472776607	 1.628740516	 2.8690119156	 0.095485
+H	-2.8419501923	 1.4156749458	 2.9658329339	 0.087844
+H	-1.8313736271	-1.2691227179	 2.3178303164	 0.072012
+H	-1.9206650292	-0.0916194904	-0.3358538124	 0.103081
+H	-3.3058649143	 0.5470039011	 0.6079555241	 0.09483
+H	-1.1300242227	 2.4540114262	 0.8024529401	 0.078933
+19
+0 5302	2.7553244	1.7228034	1.2857259	2.3668	74.62	-0.24515	0.0906	0.33575	1017.3531	0.158762	-422.519283	-422.511879	-422.510935	-422.550989	29.625
+O	 1.653891295	 0.6285748534	-0.0704691762	-0.421875
+C	 0.3099940665	 0.2853094908	 0.2183081316	-0.165679
+C	-0.6467787984	 1.1040251802	-0.6090728036	 0.481419
+O	-0.3599748184	 0.8731672443	-1.9904529572	-0.341744
+C	-1.3055467698	 1.7182425088	-2.6632281478	-0.115775
+C	-2.0303812263	 2.3251546502	-1.4730569267	-0.059448
+C	-0.9434751734	 2.6221237833	-0.3841938324	-0.112954
+C	-1.9715752319	 2.247614007	 0.7073606519	-0.260856
+C	-2.1903683966	 1.1898990872	-0.4000233212	-0.133614
+H	 1.7268064296	 0.6157438495	-1.0322015461	 0.292453
+H	 0.1178278981	-0.7834277255	 0.0308794179	 0.093693
+H	 0.1548501154	 0.4700710762	 1.2848859833	 0.11179
+H	-0.781373261	 2.4603906785	-3.2782270605	 0.103866
+H	-1.9525916982	 1.1151087354	-3.3119603663	 0.104278
+H	-2.8433846813	 3.0317721574	-1.6403799633	 0.075719
+H	-0.2210999369	 3.4384877287	-0.3858357741	 0.079409
+H	-1.5831180109	 1.8998825966	 1.6675491367	 0.098761
+H	-2.7886700333	 2.957420853	 0.856644578	 0.09705
+H	-2.9061232982	 0.3667770449	-0.4227292038	 0.073505
+19
+0 5303	3.3533773	1.4380219	1.2667443	2.0152	74.27	-0.2136	0.07786	0.29146	1065.9078	0.157145	-422.512482	-422.504673	-422.503728	-422.544763	30.3
+C	 2.5836647908	 1.5296605171	-0.238063031	-0.375922
+C	 1.5985465097	 0.3541077207	-0.2515191718	-0.277979
+C	 1.9847026622	-0.7187277114	-1.2316032597	 0.458681
+O	 3.2617604744	-1.2818300908	-0.9931903936	-0.3103
+C	 3.2766007023	-2.5976878739	-1.5579682819	-0.082055
+C	 2.0809099236	-2.6024681582	-2.4962202211	 0.05195
+O	 2.3189956947	-1.5467448279	-3.4818335333	-0.304205
+C	 1.5341351322	-0.658592796	-2.6874372604	 0.024835
+C	 1.022372795	-1.7431619386	-1.7666923091	-0.260737
+H	 2.2856226758	 2.2784252538	 0.5017063394	 0.108934
+H	 3.5901004581	 1.1826704232	 0.0090516696	 0.139651
+H	 2.6289131737	 2.0176713605	-1.2168771719	 0.117383
+H	 1.5350890977	-0.0908414604	 0.7493053776	 0.106806
+H	 0.5908390798	 0.7071714252	-0.5026658274	 0.100278
+H	 4.2189094006	-2.7413287877	-2.094901011	 0.119435
+H	 3.1838580111	-3.3621421248	-0.7703859833	 0.091704
+H	 1.8092801843	-3.5527303737	-2.9568545267	 0.089866
+H	 1.0513368425	 0.1795549766	-3.1785190182	 0.103336
+H	 0.0456947215	-2.0230187036	-1.3949618762	 0.098338
+19
+0 5304	3.3204092	1.4773767	1.2655326	2.4773	73.73	-0.22292	0.08129	0.30421	1047.8499	0.157474	-422.507434	-422.499636	-422.498692	-422.539658	30.262
+C	 1.4078854495	-0.0845544188	-0.0865956398	-0.256201
+O	 0.0276597721	-0.1009090741	 0.2346812285	-0.303337
+C	-0.3364971567	 0.7242971232	 1.2864580254	 0.408281
+C	 0.0447080818	 0.3835884062	 2.7320872677	-0.294227
+C	-0.0210245815	 1.7494151584	 3.4683708465	-0.206999
+C	-0.8365454507	 2.6178267968	 2.5126664522	 0.085337
+O	-2.1404567592	 1.9634524211	 2.3182740979	-0.315417
+C	-1.6603350893	 1.4297190657	 1.0869104018	 0.050894
+C	-0.3979178687	 2.2390984032	 1.0830270063	-0.235032
+H	 2.0269261698	-0.4774236589	 0.7313653054	 0.112932
+H	 1.5347673312	-0.7267804261	-0.9608623988	 0.129821
+H	 1.7543687067	 0.9290715308	-0.3301489422	 0.109042
+H	-0.6549934923	-0.3395696766	 3.1597764401	 0.11694
+H	 1.0439725743	-0.0580646174	 2.7781390704	 0.100357
+H	-0.4938852291	 1.68066451	 4.4515886565	 0.110048
+H	 0.9777101966	 2.1821892233	 3.5996875407	 0.098011
+H	-0.9543907777	 3.6688822475	 2.7815676654	 0.082401
+H	-2.3689829888	 1.1687733232	 0.3096313824	 0.10931
+H	 0.0930068521	 2.8322155525	 0.3244856537	 0.09784
+19
+0 5305	3.3183006	1.4717671	1.2656421	1.7354	74.12	-0.2383	0.07784	0.31614000000000003	1049.9388	0.157511	-422.508642	-422.500805	-422.49986	-422.54093	30.222
+C	 1.4217712224	-0.0540281689	-0.0195954638	-0.257474
+O	 0.0288792596	 0.2069258128	 0.0322780729	-0.294124
+C	-0.3827155351	 0.8346235045	 1.196457044	 0.419972
+C	-0.0737119926	 2.3219309034	 1.397801249	-0.159435
+O	-1.1550071382	 2.8244876509	 2.1879197735	-0.262531
+C	-1.8271749927	 1.6955837929	 2.7331545623	 0.078077
+C	-0.8874999235	 0.8418604067	 3.6516055978	-0.257318
+C	-0.5945996382	-0.0353453586	 2.4339387323	-0.139427
+C	-1.7736560429	 0.5727486355	 1.6719657738	-0.165102
+H	 1.7503851067	-0.6631759675	 0.833483491	 0.111715
+H	 1.6060873985	-0.6031625585	-0.945498668	 0.130117
+H	 2.0123846538	 0.8726420862	-0.035717148	 0.114472
+H	 0.8823157592	 2.5036741178	 1.9077143748	 0.095012
+H	-0.0574592725	 2.8395699065	 0.4313366431	 0.110384
+H	-2.7802316316	 2.0263079043	 3.1421395402	 0.087139
+H	-0.0650934629	 1.3792227662	 4.1353062159	 0.096637
+H	-1.458434067	 0.2952068981	 4.4075898168	 0.104881
+H	-0.2684048416	-1.0688081729	 2.432756693	 0.088984
+H	-2.5580324914	 0.1258818106	 1.0773818096	 0.098021
+19
+0 5306	3.3002974	1.3774044	1.2105258	1.4721	73.69	-0.22763	0.07458	0.30221	1075.5257	0.158216	-422.525531	-422.517773	-422.516829	-422.557702	30.386
+O	 1.4622853111	 0.5692544413	 0.306059283	-0.415532
+C	 0.1393832827	 0.0592563692	 0.2045162293	-0.161054
+C	-0.6708314753	 0.3016291367	 1.449979096	 0.267283
+C	-0.8957628644	 1.7320189698	 1.9545560607	-0.273009
+C	-2.2211091971	 1.657663856	 2.7635372616	-0.213669
+C	-2.37300146	 0.1640129644	 3.0207421773	 0.085528
+O	-1.1801276692	-0.2866066666	 3.755853873	-0.313517
+C	-0.6424508323	-0.7772347876	 2.5304028038	 0.057147
+C	-1.8913217517	-0.5577271522	 1.7417809605	-0.210292
+H	 1.8570365159	 0.189606721	 1.0983001027	 0.281803
+H	-0.3069860328	 0.5820271533	-0.6493746902	 0.11066
+H	 0.1403133574	-1.0165197509	-0.0398648795	 0.08282
+H	-0.0652529198	 2.0676274911	 2.5807002367	 0.112261
+H	-0.9659327629	 2.4270572626	 1.112485309	 0.102786
+H	-2.184528591	 2.2263917078	 3.69673392	 0.10951
+H	-3.0717344696	 2.0223308438	 2.1756045547	 0.099359
+H	-3.2890339615	-0.1701169424	 3.5103708059	 0.082474
+H	 0.0623842553	-1.6014022649	 2.573694565	 0.099054
+H	-2.4467561749	-1.1759671425	 1.0498920307	 0.096386
+19
+0 5307	3.2728724	1.3896892	1.2116982	2.2452	73.87	-0.24068	0.07188	0.31256	1072.3092	0.158455	-422.528061	-422.520334	-422.51939	-422.560239	30.232
+O	 1.4939314706	 0.5773199976	 0.1731702727	-0.416465
+C	 0.1523137867	 0.1067181361	 0.1450357447	-0.171441
+C	-0.5674513319	 0.3463365602	 1.4456078447	 0.297136
+C	-0.7651586715	 1.7846071882	 1.9267216481	-0.146935
+O	-1.9648114168	 1.7701824564	 2.710186818	-0.263605
+C	-2.2159842967	 0.414891909	 3.0351229341	 0.081831
+C	-1.0393021338	-0.2206321253	 3.8497910104	-0.262471
+C	-0.4818882507	-0.7386212232	 2.5221607416	-0.127642
+C	-1.792745297	-0.4375941053	 1.8104916304	-0.142282
+H	 1.9390720558	 0.1323536293	 0.9021782438	 0.282062
+H	-0.3313175352	 0.6635204992	-0.6653497417	 0.114737
+H	 0.1047263957	-0.9622636267	-0.1176511858	 0.087889
+H	 0.0791096518	 2.1484456278	 2.5265172245	 0.100514
+H	-0.9026989191	 2.4730265244	 1.0847394096	 0.106897
+H	-3.2228048258	 0.3325573801	 3.4415993198	 0.085905
+H	-0.4363176159	 0.4692802518	 4.4489497415	 0.098872
+H	-1.3876310077	-1.0417768712	 4.4825180434	 0.104101
+H	 0.1633727014	-1.6011129532	 2.3899839983	 0.081348
+H	-2.3997208698	-1.0264082552	 1.135693172	 0.089548
+19
+0 5308	3.2864179	1.4408699	1.2577175	2.5445	74.15	-0.2325	0.0847	0.31720000000000004	1053.2419	0.15849	-422.528335	-422.520674	-422.51973	-422.560468	30.106
+O	 1.5624374593	 0.5235241429	 0.3792101419	-0.418718
+C	 0.2205188472	 0.1004760965	 0.2089955265	-0.154759
+C	-0.5728417498	 0.2352188271	 1.476957035	 0.451055
+O	-0.6185032595	 1.5863818713	 1.9210644629	-0.327891
+C	-1.8717962164	 1.7673222666	 2.5950280052	-0.086957
+C	-2.2864238536	 0.3525327559	 2.9900577871	-0.07747
+C	-1.1492575991	-0.3148614036	 3.8321890637	-0.238864
+C	-0.5546617968	-0.8546579661	 2.5323041887	-0.122557
+C	-1.836407393	-0.4949545304	 1.763422385	-0.173928
+H	 1.5195385669	 1.407222319	 0.7620099928	 0.293222
+H	-0.2781215927	 0.6735790639	-0.5886059168	 0.090899
+H	 0.2550041265	-0.948608925	-0.1018525297	 0.107485
+H	-1.7078692495	 2.4274690325	 3.4532944654	 0.107688
+H	-2.6044243235	 2.236058087	 1.920234541	 0.092155
+H	-3.307011073	 0.2550303959	 3.3574591403	 0.077574
+H	-0.526283789	 0.3517549614	 4.43833652	 0.099284
+H	-1.5364024277	-1.1201902219	 4.4609693172	 0.104256
+H	 0.0773020101	-1.7293991969	 2.425867719	 0.088846
+H	-2.4462834663	-1.0521050961	 1.063821825	 0.088679
+19
+0 5309	2.7473492	1.1952141	0.8808138	2.2047	80.6	-0.23575	-0.04189	0.19385999999999998	1312.3229	0.155934	-422.60142	-422.591724	-422.59078	-422.637	34.119
+C	 0.2406481727	 2.1553139843	 1.5979484571	-0.503009
+C	 1.0266905527	 1.5481804271	 0.479821526	 0.096226
+C	 1.2606205708	 0.2579602026	 0.1728174354	 0.177893
+C	 0.7804016601	-0.9619431053	 0.9037386872	-0.167226
+O	 1.8295834804	-1.8918025001	 1.1567060089	-0.40731
+C	 2.1190288124	 0.0938194453	-1.0658330381	-0.298138
+C	 2.4031492483	 1.5298417796	-1.5359883261	-0.343922
+C	 1.6993734219	 2.4276929613	-0.5128221123	 0.347839
+O	 1.6954404511	 3.6384311514	-0.5022849834	-0.331766
+H	 0.0155087747	 1.4425828118	 2.3948229224	 0.119297
+H	 0.7904502922	 3.0022742491	 2.019920141	 0.147259
+H	-0.7090737453	 2.5603251767	 1.2292870953	 0.142564
+H	 0.2542921671	-0.6881175911	 1.8281636086	 0.10165
+H	 0.063569901	-1.504923545	 0.2742825471	 0.126061
+H	 2.4536814578	-1.4689186579	 1.755969377	 0.287005
+H	 3.0278716488	-0.4686997364	-0.829093564	 0.123706
+H	 1.5907186804	-0.5030247888	-1.8201501085	 0.116264
+H	 3.4686490129	 1.7754812174	-1.5660772235	 0.132016
+H	 2.00549537	 1.739690698	-2.5335202	 0.13359
+19
+0 5310	2.7932485	1.2198381	0.9139443	5.075	79.82	-0.26098	-0.0299	0.23107999999999998	1304.6736	0.156209	-422.619034	-422.609523	-422.608579	-422.654344	33.43
+C	 1.3767550458	-0.6590883193	-1.1839778933	-0.376861
+C	 1.465163696	-0.0752969311	 0.2396606102	-0.297088
+C	 1.9999754355	 1.3224870961	 0.2742025973	 0.197498
+C	 3.1711537617	 1.7861174841	 0.7324624648	 0.029495
+C	 4.332612033	 1.0945756952	 1.3651896041	-0.49665
+C	 3.205550032	 3.2566258607	 0.5266484382	 0.411976
+O	 4.0734092845	 4.0382784267	 0.8015335857	-0.352725
+O	 2.025907129	 3.6388022035	-0.0628696728	-0.232893
+C	 1.2081154029	 2.4906220287	-0.2572322985	-0.17198
+H	 0.9866593372	-1.6803662858	-1.1537419969	 0.124573
+H	 0.7126253902	-0.0679434277	-1.8218559041	 0.124341
+H	 2.3624214362	-0.6839370367	-1.657850228	 0.130248
+H	 0.464073463	-0.0875129422	 0.6915966883	 0.115073
+H	 2.0927796719	-0.7227582281	 0.8596771126	 0.116715
+H	 4.551920096	 1.5338556619	 2.3440325432	 0.148796
+H	 4.1568551587	 0.0241575338	 1.4930732894	 0.122315
+H	 5.2351084968	 1.2280204947	 0.7588065707	 0.147752
+H	 0.2605082538	 2.6280795246	 0.2809353736	 0.128649
+H	 0.9740394858	 2.3975338108	-1.3253914844	 0.130767
+19
+0 5311	2.3135182	1.501866	1.0952455	2.0584	78.09	-0.21867	0.00608	0.22475	1166.546	0.156386	-422.515076	-422.506289	-422.505344	-422.548768	32.471
+C	 2.8095775858	 0.4400519374	-1.3959690506	-0.520025
+C	 1.8387479032	 1.0699392893	-0.4610565434	 0.208074
+C	 0.8571164276	 0.5823875735	 0.3084779685	 0.285751
+C	 0.344018512	-0.7889897805	 0.5518034567	-0.231499
+O	-1.0643290031	-0.7856969439	 0.315039724	-0.421369
+C	 0.3232413415	 1.8672164639	 0.974563007	-0.01911
+C	 0.2089950717	 2.8299363486	-0.241340038	-0.21772
+C	 1.7420893277	 2.5787545052	-0.1288447193	-0.023886
+O	 1.5726241227	 2.5595608767	 1.3267774996	-0.29085
+H	 3.8421049431	 0.5726260988	-1.0476357448	 0.134962
+H	 2.629370453	-0.6328479545	-1.5091687726	 0.127103
+H	 2.7552070644	 0.8976398326	-2.3919724207	 0.13037
+H	 0.8592586534	-1.5123689173	-0.0994052451	 0.09205
+H	 0.554643742	-1.0845138056	 1.593900811	 0.098292
+H	-1.4200337832	-1.6183694086	 0.6405750052	 0.287628
+H	-0.4092628388	 1.8005534976	 1.7771949789	 0.080281
+H	-0.3211728449	 2.4877722888	-1.1322592855	 0.101426
+H	-0.0719898224	 3.8455494185	 0.0472978367	 0.104149
+H	 2.5072632142	 3.2654026995	-0.4918808876	 0.074375
+19
+0 5312	2.3995048	1.4025115	1.0293598	2.0334	77.77	-0.23443	0.00011	0.23454	1203.2905	0.156362	-422.549463	-422.540564	-422.53962	-422.58319	32.99
+C	 1.1854092647	 2.1097505131	-0.0374440344	-0.51242
+C	 1.843530759	 0.8773409152	-0.5742502328	 0.216063
+C	 1.6175470628	-0.4153320549	-0.2787017524	 0.157211
+C	 0.55855093	-0.9898246132	 0.6124557136	-0.160215
+O	-0.3477074106	-1.8266286825	-0.10743093	-0.413706
+C	 2.5381954208	-1.346808836	-1.0547375958	-0.324676
+C	 3.3218176563	-0.4039931801	-1.953516585	 0.036703
+O	 2.5165815728	 0.3356541752	-2.8748758108	-0.260774
+C	 2.9039507679	 0.9685257309	-1.6312376768	-0.047555
+H	 0.4295089625	 1.8884229595	 0.7193041114	 0.128386
+H	 1.925175407	 2.7796037448	 0.4192451509	 0.130572
+H	 0.7057395226	 2.6794904113	-0.8431271518	 0.136555
+H	 1.0085795447	-1.6474655142	 1.3663701007	 0.111527
+H	 0.0233894703	-0.1962778716	 1.1527625493	 0.091067
+H	-0.7105650107	-1.2975205489	-0.8261516884	 0.284158
+H	 3.2087466842	-1.8976220927	-0.3809581657	 0.107896
+H	 1.9753108965	-2.0949289507	-1.6231174341	 0.132126
+H	 4.3175654879	-0.6594815901	-2.3055749372	 0.095091
+H	 3.5358430712	 1.8460131548	-1.7405290305	 0.091992
+19
+0 5313	2.2627945	1.2597836	0.8566685	3.3274	79.27	-0.23863	-0.01577	0.22286	1343.4304	0.155225	-422.593793	-422.584268	-422.583324	-422.628697	34.4
+C	-0.4958761053	 2.0616767619	 0.685951556	-0.496841
+C	 0.8136043998	 1.5475502611	 0.1719154463	 0.200271
+C	 1.348822125	 0.3228991023	 0.316637387	 0.177732
+C	 0.7860149058	-0.8528391034	 1.0577372738	-0.170668
+O	 1.6829286428	-1.3339890449	 2.0592729832	-0.41233
+C	 2.6954110049	 0.2027242913	-0.3568237564	-0.404821
+C	 2.9295195063	 1.5877515479	-0.9658790419	 0.393793
+O	 3.8955982931	 1.9366035796	-1.591820033	-0.303451
+C	 1.7082955731	 2.4564785754	-0.63744798	-0.410125
+H	-0.3471228514	 2.9621320005	 1.2954769288	 0.128993
+H	-1.1507451789	 2.3572051567	-0.1438447708	 0.133003
+H	-1.0345551893	 1.3288265009	 1.2901296446	 0.127966
+H	-0.1996145652	-0.6235139914	 1.4845999183	 0.093843
+H	 0.6513415557	-1.6998652939	 0.3735882922	 0.116517
+H	 1.8238588707	-0.6155260269	 2.6849661788	 0.28199
+H	 3.5038096368	-0.059626618	 0.3359210878	 0.142106
+H	 2.7197993931	-0.5629570548	-1.1447549881	 0.133717
+H	 2.019277501	 3.3587594113	-0.0932528975	 0.133541
+H	 1.2393178022	 2.8144062643	-1.5644700391	 0.134766
+19
+0 5314	2.1258318	1.628704	1.0281763	2.7845	77.92	-0.23476	-0.00009	0.23467	1187.4779	0.15623	-422.550267	-422.541323	-422.540379	-422.584045	33.057
+C	 2.5776670629	 0.5928692937	-1.3302062675	-0.494154
+C	 1.6507245282	 1.2132616043	-0.3326259527	 0.185661
+C	 0.7279534936	 0.6158454156	 0.4425166349	 0.184386
+C	 0.3602438254	-0.8310351455	 0.5419917107	-0.174317
+O	-1.0356429096	-1.038149216	 0.341703217	-0.4137
+C	-0.0417207114	 1.6479348583	 1.2095515702	-0.03809
+O	-0.7615641753	 2.5699832459	 0.3541827387	-0.265939
+C	 0.5196471957	 2.9588371155	 0.8552636947	 0.033995
+C	 1.665710966	 2.7208915197	-0.1166322631	-0.327615
+H	 3.6251255388	 0.7818439102	-1.0616719225	 0.130068
+H	 2.4445102748	-0.4879012413	-1.4142692581	 0.128941
+H	 2.4294135485	 1.0327893198	-2.3245343014	 0.131442
+H	 0.9610639317	-1.4402487716	-0.1487935225	 0.091788
+H	 0.5595953413	-1.2094734155	 1.5529766206	 0.113648
+H	-1.284139412	-0.5607405562	-0.4572336478	 0.288459
+H	-0.5309974509	 1.4188124554	 2.151141606	 0.09903
+H	 0.5206745712	 3.815023021	 1.5242232587	 0.094752
+H	 1.5274185049	 3.2709937398	-1.0559471753	 0.121611
+H	 2.6225790863	 3.054831587	 0.3074450091	 0.110037
+19
+0 5315	2.0685361	1.5674255	0.9378387	3.4139	80.43	-0.23444	-0.04004	0.19440000000000002	1250.1146	0.15621	-422.601101	-422.591586	-422.590641	-422.635913	34.015
+C	 2.6264335999	-1.2312214811	-1.4264234021	-0.50268
+C	 2.260664044	 0.0388399537	-0.7291541638	 0.221623
+C	 1.1749418285	 0.2753412805	 0.0352575529	 0.065265
+C	 0.0509129805	-0.6514768373	 0.415729419	-0.190413
+O	 0.4647008058	-1.9730592801	 0.7558672485	-0.406343
+C	 1.1941345793	 1.6724054108	 0.5297149607	 0.339229
+O	 0.374621899	 2.1848282421	 1.2611252813	-0.342016
+C	 2.4420672425	 2.3554168211	-0.0429347303	-0.336856
+C	 3.1535953971	 1.2577288768	-0.8500309335	-0.304936
+H	 3.6624668826	-1.5115705619	-1.198102629	 0.129578
+H	 1.9672014529	-2.051205559	-1.1426111129	 0.1611
+H	 2.5821079901	-1.0903337609	-2.5145760354	 0.134865
+H	-0.513917638	-0.1794715683	 1.2308702748	 0.124611
+H	-0.643239541	-0.7755897155	-0.4232382096	 0.12373
+H	 1.0373417701	-1.9048317936	 1.5268090768	 0.282988
+H	 2.1363526174	 3.2080780997	-0.6565863964	 0.133693
+H	 3.0472403239	 2.757307899	 0.774532215	 0.131818
+H	 3.2922265273	 1.5261294893	-1.9049169436	 0.117704
+H	 4.157066378	 1.0350642046	-0.4654624225	 0.117038
+19
+0 5316	1.9707956	1.6834556	0.9801107	4.8798	79.74	-0.26138	-0.03094	0.23044	1235.6223	0.156353	-422.619732	-422.610382	-422.609438	-422.65424	33.367
+C	 0.6444028857	-0.6877999563	 0.6560224092	-0.379711
+C	 0.9297006236	 0.1974273066	-0.5707156864	-0.296287
+C	 1.7907669381	 1.3774012113	-0.2429256693	 0.057866
+C	 3.0585188831	 1.669674038	-0.5649892347	 0.172582
+C	 4.0480964243	 0.9049488776	-1.378818536	-0.499655
+C	 3.4103600864	 2.9994678335	 0.0488623065	-0.166504
+O	 2.243529038	 3.4313085254	 0.7391693131	-0.231244
+C	 1.2562362141	 2.4900640635	 0.5849462111	 0.413801
+O	 0.1640624183	 2.6187411562	 1.0670275135	-0.357357
+H	-0.0126726864	-1.5193057969	 0.3846107809	 0.115121
+H	 1.5701031565	-1.1047976229	 1.0652469862	 0.112524
+H	 0.1540718342	-0.1039100485	 1.438538462	 0.151525
+H	 1.3941133919	-0.3972795633	-1.3642028287	 0.099944
+H	-0.0242514035	 0.567579938	-0.9647826401	 0.12698
+H	 4.9340309555	 0.6526893609	-0.7829321607	 0.140961
+H	 3.6255027333	-0.024110434	-1.7666824791	 0.141077
+H	 4.4016518985	 1.5010249496	-2.2291103604	 0.140066
+H	 4.2437553665	 2.9256222259	 0.7602995122	 0.129123
+H	 3.6810800622	 3.7503413953	-0.7054884793	 0.129188
+19
+0 5317	2.0503795	1.3643415	0.8748955	3.9307	82.26	-0.24264	-0.06021	0.18242999999999998	1336.5017	0.155822	-422.57264	-422.563157	-422.562213	-422.608019	32.866
+C	 1.4111855062	-0.9411725467	 0.9577537272	-0.378203
+C	 1.474774069	-0.0513399218	-0.2997764135	-0.302521
+C	 2.1298798131	 1.2724192647	-0.0509428817	 0.191418
+C	 3.3056304448	 1.7517377693	-0.4945125864	 0.101964
+C	 3.5243597313	 3.1474665356	 0.0297658465	-0.155382
+O	 2.3854088691	 3.4219304376	 0.845606768	-0.266794
+C	 1.481250468	 2.3320893491	 0.8037376599	-0.141833
+C	 4.2780926573	 1.0960578172	-1.3628820224	 0.063191
+O	 5.3175573462	 1.6170012345	-1.7118260792	-0.270687
+H	 0.8466315179	-0.4627093382	 1.7631357906	 0.128478
+H	 0.9221064768	-1.8910218521	 0.7245607252	 0.125993
+H	 2.4156456391	-1.1574647893	 1.3331804686	 0.130892
+H	 1.9936874367	-0.5886947835	-1.0982027171	 0.119414
+H	 0.4522286941	 0.1275069955	-0.6589415569	 0.119104
+H	 4.4421923252	 3.2289613162	 0.6277956115	 0.121519
+H	 3.6004866406	 3.8843864051	-0.7826908857	 0.119092
+H	 1.2749176886	 1.9756028746	 1.825303713	 0.11529
+H	 0.5124570923	 2.6438645388	 0.3757085489	 0.110055
+H	 4.0171510139	 0.0698421633	-1.6985439463	 0.069009
+19
+0 5318	2.0971846	1.3188506	0.8564066	2.1891	81.8	-0.24817	-0.05834	0.18983	1338.9633	0.156791	-422.583079	-422.573827	-422.572883	-422.617782	33.048
+O	-0.3278184051	-0.3176467996	 1.1477008826	-0.40688
+C	 0.3952978755	 0.4604672406	 0.1978694189	-0.18278
+C	-0.3555200189	 0.5981498406	-1.0951028437	 0.202204
+C	 0.0563601179	 0.319069678	-2.3499562309	 0.136139
+C	-1.0333690961	 0.5684000445	-3.3717919528	-0.301429
+C	-2.0876254565	 1.374431556	-2.5753785135	-0.223419
+C	-1.7953065041	 1.0633832508	-1.0882517345	-0.281858
+C	 1.3648416357	-0.2032548162	-2.7469503145	 0.056188
+O	 1.6641870073	-0.4551653318	-3.8959239149	-0.2704
+H	-0.3981692219	-1.2119382155	 0.7971499621	 0.287855
+H	 0.4997816185	 1.4497038771	 0.660842697	 0.126355
+H	 1.408227992	 0.0673205377	 0.0454996859	 0.105292
+H	-0.6580806778	 1.0941422174	-4.2539227032	 0.123945
+H	-1.4312828734	-0.388092739	-3.7354211202	 0.116151
+H	-1.9429204095	 2.4441701546	-2.7569965309	 0.110052
+H	-3.1135254113	 1.1347140756	-2.8642275732	 0.103971
+H	-1.9498729336	 1.9212728008	-0.4237870181	 0.113155
+H	-2.4370197909	 0.2640623471	-0.694389641	 0.121045
+H	 2.0967631623	-0.3677927189	-1.9274730353	 0.064413
+19
+0 5319	2.5589116	1.5044295	1.0148339	2.2347	79.81	-0.21869	0.0159	0.23459	1176.8567	0.156976	-422.521974	-422.513363	-422.512419	-422.555568	31.679
+O	-0.1360571928	 1.4618239164	 0.0137568604	-0.412302
+C	-0.082087243	 0.0460738262	 0.0408911469	-0.184819
+C	-1.4557819622	-0.5009433688	-0.1484214885	 0.142727
+C	-2.6147296672	 0.1291184348	-0.3100334682	 0.137728
+C	-3.3989655299	 1.3258121199	 0.1821173473	-0.305553
+C	-4.3150063624	 0.2590992322	 0.8981128709	-0.253537
+C	-3.7497160693	-0.8167732434	-0.1031099808	 0.097725
+O	-3.1862837887	-2.0515307739	 0.299678736	-0.279415
+C	-1.7769750859	-1.9845347081	 0.0232765879	-0.155922
+H	 0.7613866055	 1.7965564597	 0.0965808181	 0.289855
+H	 0.586873671	-0.3453329251	-0.7468446592	 0.098408
+H	 0.3284360263	-0.3228412191	 0.9989485562	 0.095317
+H	-2.8592572877	 2.0470021285	 0.7948360558	 0.125469
+H	-3.9421975497	 1.8554936569	-0.606412143	 0.111382
+H	-3.971831461	 0.0567662334	 1.914378667	 0.115372
+H	-5.3934034877	 0.4352338806	 0.8882408059	 0.098524
+H	-4.4366619576	-0.9657409413	-0.9487977986	 0.075065
+H	-1.5384893262	-2.5939926476	-0.8643572418	 0.099079
+H	-1.2286234915	-2.4179526413	 0.8718128877	 0.104896
+19
+0 5320	2.5479354	1.4863394	0.9991352	3.0969	79.06	-0.2245	0.01349	0.23799	1187.2997	0.157148	-422.521011	-422.512437	-422.511493	-422.554506	31.634
+O	-0.0854823222	 1.4460047507	 0.0651017527	-0.414156
+C	-0.0348845263	 0.0303162578	 0.0328143581	-0.1866
+C	-1.4168456513	-0.5036761582	-0.1292659426	 0.174429
+C	-2.5569762761	 0.1681376046	-0.2525316509	 0.119527
+C	-3.3447040327	 1.3374232317	 0.2739348878	-0.148698
+O	-4.3512477518	 0.3859134466	 0.7525496279	-0.311976
+C	-3.771849892	-0.679607678	-0.0805951256	 0.112722
+C	-3.2226601412	-1.984458485	 0.5182169489	-0.248274
+C	-1.7486752468	-1.9956341438	-0.0132215323	-0.307269
+H	 0.8141344074	 1.7782541426	 0.1317383579	 0.290527
+H	 0.6039574413	-0.3328608542	-0.7925051378	 0.098581
+H	 0.4049629467	-0.3792130533	 0.9604989196	 0.096463
+H	-2.886121496	 1.9190724321	 1.0783076977	 0.123932
+H	-3.7739823463	 2.0143437075	-0.4762044517	 0.102871
+H	-4.4173077493	-0.8427370461	-0.9549905162	 0.072717
+H	-3.2162687937	-1.893743584	 1.608955552	 0.118058
+H	-3.7869265528	-2.8817044158	 0.2484976927	 0.09419
+H	-1.6727307596	-2.5228888563	-0.9739777915	 0.109013
+H	-1.0653841971	-2.508288189	 0.6737821334	 0.103942
+19
+0 5321	3.0718487	1.0427578	0.8427147	2.4296	79.71	-0.23524	-0.04684	0.1884	1379.3852	0.156444	-422.596831	-422.587504	-422.58656	-422.631692	33.634
+C	 4.2620304148	 1.7396509849	-0.9480899218	-0.396127
+C	 2.7605000531	 1.5734745196	-1.1908244229	-0.100314
+C	 2.1834454486	 0.1649807503	-0.9360370815	-0.317236
+C	 0.983421181	 0.3926706837	-0.0413858918	 0.291517
+C	 0.0989604984	-0.7482870602	 0.3692884017	-0.165289
+O	 0.8389409115	-1.858032535	 0.8636270353	-0.40621
+C	 0.8524796391	 1.6793471898	 0.3159791808	-0.306117
+C	 1.924034049	 2.501006736	-0.2848044257	 0.397831
+O	 2.1330163946	 3.6798691896	-0.1070277149	-0.34598
+H	 4.5371803134	 1.3991268741	 0.0563433283	 0.114723
+H	 4.8486148284	 1.1653790212	-1.6713906892	 0.114031
+H	 4.5366374146	 2.7944616526	-1.0312562309	 0.140909
+H	 2.5369310023	 1.8800803776	-2.2208237849	 0.106585
+H	 1.8927201138	-0.3572697631	-1.8556069395	 0.116292
+H	 2.9031845965	-0.4941813879	-0.4364228981	 0.123814
+H	-0.6575606895	-0.4068414038	 1.0899773713	 0.104791
+H	-0.4362431415	-1.1280889855	-0.5104318951	 0.127811
+H	 1.2693449609	-1.5811806181	 1.679504799	 0.28904
+H	 0.0936782211	 2.0947789942	 0.9683827699	 0.10993
+19
+0 5322	3.1949262	1.0353985	0.8545385	3.866	80.33	-0.24125	-0.04822	0.19302999999999998	1383.1414	0.156494	-422.600235	-422.59107	-422.590126	-422.634719	33.43
+C	 1.8485508086	-0.9591753137	-0.135506679	-0.379854
+C	 1.0154878576	 0.2311016545	 0.3760964018	-0.286942
+C	 1.7175535606	 1.546309694	 0.2408400244	 0.330217
+C	 1.3216980465	 2.5939228779	-0.5084074069	-0.300263
+C	 2.29610882	 3.6852544121	-0.399422534	 0.354659
+O	 2.4393062029	 4.675278354	-1.0861901164	-0.358929
+C	 3.2376329614	 3.3345330155	 0.764167807	 0.052051
+O	 4.5627344758	 3.7091814338	 0.4889713041	-0.441445
+C	 3.0279408976	 1.8248911202	 0.9570911601	-0.336764
+H	 2.7886292587	-1.05711093	 0.4150127784	 0.129619
+H	 1.290959022	-1.8920345697	-0.0152242157	 0.124728
+H	 2.0890713608	-0.8408759397	-1.196285427	 0.130443
+H	 0.0581665665	 0.2696928676	-0.1536139962	 0.113727
+H	 0.7854924759	 0.0683172469	 1.4386046959	 0.118154
+H	 0.4507953106	 2.6285955409	-1.151241293	 0.113232
+H	 2.8543199352	 3.8650151768	 1.6541802378	 0.092212
+H	 4.4932624326	 4.4585444808	-0.1213142577	 0.29126
+H	 3.8552353665	 1.2842122103	 0.4826737205	 0.140565
+H	 2.9978224102	 1.5107195981	 2.005944836	 0.113332
+19
+0 5323	2.8634766	1.1479843	0.8940208	2.4973	79.85	-0.23638	-0.05002	0.18636	1305.2907	0.156609	-422.594765	-422.585525	-422.58458	-422.629595	33.594
+C	 1.8145047138	-2.171044351	-1.7810063919	-0.403589
+C	 2.0059141726	-0.9465004238	-0.8682141227	-0.07959
+C	 3.45099447	-0.8068674611	-0.3368672419	-0.353727
+C	 3.344059732	-0.8398587264	 1.1944281364	 0.39378
+O	 4.2651411318	-0.7887801876	 1.9764761803	-0.332547
+C	 1.9030367294	-0.9306101173	 1.5147780451	-0.299501
+C	 1.158998208	-0.9766113845	 0.3988921485	 0.293992
+C	-0.3450790397	-1.0073330218	 0.3695599921	-0.167993
+O	-0.8797425202	-2.1837304175	-0.2301546103	-0.399307
+H	 2.1061832972	-3.0891505368	-1.2581923921	 0.111324
+H	 0.7749365982	-2.2788235848	-2.0936099223	 0.142281
+H	 2.4459049246	-2.0778606958	-2.6701735464	 0.116655
+H	 1.7200706778	-0.0555964888	-1.4446817786	 0.089241
+H	 4.1057778403	-1.6156419576	-0.6757878569	 0.12981
+H	 3.9272704039	 0.1307691445	-0.6397886566	 0.13237
+H	 1.5343157033	-0.9348626024	 2.5340175896	 0.109966
+H	-0.738179022	-0.8653274587	 1.3862879839	 0.104872
+H	-0.7167234445	-0.1781631624	-0.2446242637	 0.123682
+H	-0.5779288368	-2.9372774062	 0.2882896675	 0.288281
+19
+0 5324	2.7803944	1.1831363	0.9108305	3.6258	80.47	-0.23374	-0.04356	0.19018000000000002	1303.1533	0.156244	-422.598585	-422.589269	-422.588325	-422.633042	33.894
+C	 3.2857106608	-0.3672279645	-1.4808375585	-0.376148
+C	 2.0471770289	-0.0763658617	-0.6079720596	-0.286588
+C	 2.0043270163	 1.3410241462	-0.1228317742	 0.332479
+C	 1.3475042229	 2.373541807	-0.6747223282	-0.298207
+C	 1.5852165477	 3.6264087634	 0.0697162078	 0.391064
+O	 1.0754842859	 4.705599499	-0.124173766	-0.332702
+C	 2.6183888167	 3.2983498521	 1.1596270178	-0.371329
+C	 2.7265068734	 1.7624173682	 1.1476116069	 0.014763
+O	 4.0539522084	 1.2509264075	 1.1293861872	-0.42618
+H	 3.2815898747	-1.4123419681	-1.8044960044	 0.114189
+H	 3.2871891631	 0.2664195645	-2.3727473474	 0.121545
+H	 4.2025013591	-0.1744784775	-0.9214418252	 0.149912
+H	 1.1392997664	-0.2899039849	-1.1824935313	 0.110869
+H	 2.053577279	-0.7533763402	 0.2546235316	 0.110252
+H	 0.7053031845	 2.3334041369	-1.5465659323	 0.10974
+H	 3.5830759556	 3.7280514602	 0.8694048913	 0.138534
+H	 2.3275275429	 3.7332440206	 2.1189287126	 0.120796
+H	 2.1799352636	 1.331880827	 2.0036813625	 0.087041
+H	 4.4493751402	 1.4157497044	 1.9908783993	 0.289972
+19
+0 5325	2.7904543	1.1808949	0.9281393	5.4512	79.2	-0.26039	-0.03531	0.22508	1304.7284	0.156546	-422.618222	-422.609091	-422.608147	-422.652465	33.138
+C	 0.6645362575	-0.3731056762	 0.7746447833	-0.381757
+C	 1.6415066637	 0.4000837824	-0.1310926455	-0.298764
+C	 2.1946047846	-0.4257755939	-1.2501601204	 0.345194
+C	 3.4609242964	-0.7804572819	-1.4841396254	-0.393943
+C	 3.527918911	-1.6121825886	-2.7035654105	 0.444814
+O	 4.4675459781	-2.1256428164	-3.2423594486	-0.353082
+O	 2.2443426755	-1.7341433875	-3.1855404274	-0.242788
+C	 1.3322922665	-1.0183990348	-2.3460393095	 0.024844
+C	 0.564802764	 0.0061008559	-3.1801213956	-0.399853
+H	-0.2104853387	-0.7235092924	 0.218949863	 0.125965
+H	 1.1514254038	-1.2453530571	 1.2205582452	 0.132451
+H	 0.308552709	 0.2695937804	 1.5845274829	 0.126079
+H	 1.1228578557	 1.2729445698	-0.5496145526	 0.120721
+H	 2.4707440817	 0.7883466235	 0.4685512589	 0.118907
+H	 4.3426778537	-0.5303920566	-0.9115770032	 0.125499
+H	 0.6275626229	-1.7512296509	-1.9290060581	 0.108558
+H	-0.1863685037	 0.5165406745	-2.5696816694	 0.122418
+H	 1.2492450777	 0.7518670945	-3.5941526104	 0.133534
+H	 0.0544731905	-0.4956886745	-4.0056049166	 0.141201
+19
+0 5326	2.9637661	1.1196542	0.8813891	3.9396	81.08	-0.23052	-0.05095	0.17957	1344.8027	0.156801	-422.58149	-422.572553	-422.571609	-422.615672	32.467
+C	 2.4395248521	-0.6965523401	 1.7447027049	-0.375594
+C	 1.622151619	-0.1128578728	 0.5754675752	-0.279418
+C	 1.9489047492	 1.329690238	 0.2950033638	 0.290725
+C	 1.1735508486	 2.3533046479	 0.6887600761	-0.264084
+C	 1.4804283572	 3.7389727198	 0.3076170406	 0.356847
+O	 0.7639477473	 4.6823649958	 0.5770543561	-0.326866
+C	 2.7419356026	 3.9165389137	-0.5374617474	-0.193314
+O	 3.7124729885	 2.915472653	-0.299409107	-0.238063
+C	 3.2160802029	 1.6098216428	-0.4770035726	-0.163604
+H	 2.1801210994	-1.7474141385	 1.9019521505	 0.124486
+H	 3.5157302089	-0.643615321	 1.5548923919	 0.12626
+H	 2.2353066562	-0.1508375771	 2.6702003983	 0.133372
+H	 1.8135485652	-0.708482713	-0.3273389732	 0.111771
+H	 0.5541969601	-0.2061134488	 0.7959592416	 0.117122
+H	 0.2572083532	 2.1977928183	 1.2517808161	 0.101032
+H	 2.4401111879	 3.9360242038	-1.6009798698	 0.109385
+H	 3.2004610785	 4.8787559196	-0.3011234961	 0.138544
+H	 3.0299146721	 1.3965524149	-1.5484181691	 0.106299
+H	 4.016051431	 0.9333438736	-0.1582350799	 0.1251
+19
+0 5327	3.1403758	1.0950518	0.8787286	5.4142	79.96	-0.25689	-0.0396	0.21729	1344.6142	0.157675	-422.607968	-422.599206	-422.598262	-422.64186	32.095
+C	 1.3196354497	-1.0249342599	-1.1042982086	-0.378088
+C	 1.1533110437	-0.030448475	 0.0601506002	-0.280656
+C	 1.7808885874	 1.3104147826	-0.2094701649	 0.31418
+C	 1.0645216911	 2.4180568567	-0.4454486251	-0.304187
+C	 1.672691203	 3.7571526843	-0.5914695924	 0.422251
+O	 1.0405662714	 4.7814678796	-0.5529947328	-0.341844
+O	 3.0290535557	 3.8137689725	-0.7173143699	-0.237235
+C	 3.7238479648	 2.605893491	-1.0478959864	-0.079741
+C	 3.2849493646	 1.4286168048	-0.1877248614	-0.316522
+H	 0.8609078692	-1.9854586757	-0.8528270602	 0.12516
+H	 0.8399917622	-0.6452770297	-2.0112878227	 0.129892
+H	 2.3733273452	-1.2117995578	-1.3338274978	 0.121914
+H	 0.0881226494	 0.1037690767	 0.2736823425	 0.115133
+H	 1.607636383	-0.4602022605	 0.9634785189	 0.11257
+H	-0.0199467491	 2.416083931	-0.4458219592	 0.111752
+H	 3.5512222989	 2.3757784115	-2.107869604	 0.112975
+H	 4.7837201205	 2.8338522562	-0.9153565736	 0.123286
+H	 3.7606388002	 0.5141595445	-0.5587601156	 0.11722
+H	 3.625801859	 1.557203607	 0.8493599929	 0.13194
+19
+0 5328	2.9927674	1.0841305	0.8524215	2.422	80.32	-0.23605	-0.05129	0.18476	1349.2643	0.157854	-422.597129	-422.588388	-422.587444	-422.63095	32.452
+O	-0.417953156	-1.1462240836	-0.2223634578	-0.405447
+C	 0.1679867201	-0.6487186275	-1.4205093696	-0.156723
+C	-0.4775895831	 0.6335100394	-1.8880317172	 0.290689
+C	 0.2444637086	 1.7487778797	-2.0869404741	-0.265362
+C	-0.3344602542	 3.0117627726	-2.5925632708	 0.384456
+O	 0.3445904831	 4.0090558238	-2.7396667173	-0.332865
+C	-1.8158090132	 2.9753472161	-2.9518240939	-0.306654
+C	-2.5987827797	 1.9934375312	-2.0724029483	-0.227864
+C	-1.9687511069	 0.5964962534	-2.1137523733	-0.291933
+H	-0.2407462609	-0.5043639819	 0.4737234369	 0.287711
+H	 1.2528597472	-0.5098827669	-1.3144146801	 0.103459
+H	 0.0071030075	-1.4370023808	-2.1666654711	 0.122827
+H	 1.3154683704	 1.7698261611	-1.9012484714	 0.097045
+H	-2.2071975377	 3.9942630034	-2.8970039341	 0.122117
+H	-1.8829455423	 2.6642546945	-4.004971182	 0.12158
+H	-2.5956453811	 2.3555073111	-1.0366654541	 0.10785
+H	-3.6461543892	 1.9475881396	-2.3870298818	 0.104397
+H	-2.4203367468	-0.0649219077	-1.3676858553	 0.127835
+H	-2.1603674357	 0.1238321425	-3.0900486947	 0.116884
+19
+0 5329	2.9931171	1.0367904	0.8621908	2.8098	78.48	-0.24036	-0.0183	0.22205999999999998	1375.7681	0.155712	-422.591105	-422.581701	-422.580756	-422.625951	34.015
+C	 2.877748606	 3.250302901	 0.6321452151	-0.390187
+C	 1.8894430664	 2.5173314882	-0.2878776149	-0.139733
+C	 0.9154717902	 1.5899545092	 0.3905167051	-0.186789
+C	 0.9328879694	 0.3445461016	-0.0971049494	 0.272525
+C	 0.0934962552	-0.8060970966	 0.3679067184	-0.164964
+O	 0.8824032017	-1.9237744026	 0.7690540666	-0.411481
+C	 1.9452244193	 0.1917939247	-1.2062665433	-0.414024
+C	 2.6094187537	 1.5730424011	-1.2754997442	 0.391602
+O	 3.5482580587	 1.8765848324	-1.9637504873	-0.311218
+H	 2.3595644994	 3.9738946006	 1.2683095075	 0.116153
+H	 3.4064742792	 2.5448160757	 1.2809968468	 0.117182
+H	 3.618796773	 3.7813004949	 0.0290509799	 0.141778
+H	 1.3597306094	 3.274030404	-0.8872499843	 0.110238
+H	 0.2637824957	 1.9202378798	 1.1939530528	 0.095665
+H	-0.5835317927	-0.4777792796	 1.1708919188	 0.093731
+H	-0.5301008365	-1.1815839165	-0.452759848	 0.116539
+H	 1.4327236938	-1.6357967118	 1.5051939655	 0.283334
+H	 2.6856437289	-0.593664022	-1.0181336062	 0.143851
+H	 1.4878147393	-0.0521986941	-2.1752688087	 0.135799
+19
+0 5330	3.0846714	1.0421328	0.8734529	2.9108	78.45	-0.24754	-0.02675	0.22079000000000001	1342.852	0.155575	-422.591479	-422.582136	-422.581192	-422.626168	33.969
+C	 1.9734774602	-1.0599910747	 0.3136246828	-0.377796
+C	 1.1151898427	 0.053368564	-0.3132714422	-0.285684
+C	 1.6853068652	 1.428613524	-0.1275138703	 0.321408
+C	 1.1261068431	 2.4368218917	 0.5536369306	-0.208029
+C	 1.9264378993	 3.7087607947	 0.4855631004	 0.024388
+O	 2.099372193	 4.3721157332	 1.7168847071	-0.441697
+C	 3.2620258285	 3.1911788422	-0.0752431616	 0.359317
+O	 4.3153980659	 3.7439733227	 0.1118821068	-0.315432
+C	 3.0143478647	 1.8384861304	-0.7373134554	-0.422272
+H	 2.0901992252	-0.9030646911	 1.3901978462	 0.127462
+H	 1.5053990107	-2.0367524797	 0.1606764559	 0.119877
+H	 2.9729665379	-1.0994755754	-0.1303214429	 0.121609
+H	 1.001722078	-0.1502233367	-1.387514126	 0.106326
+H	 0.1080877674	 0.0250015943	 0.1170397343	 0.108322
+H	 0.1729537774	 2.3851319387	 1.0675512421	 0.104738
+H	 1.4849202418	 4.4002402961	-0.2589601047	 0.091333
+H	 2.9977470821	 4.7312687452	 1.6971364476	 0.292199
+H	 2.9533652159	 1.9580908227	-1.8289934458	 0.136245
+H	 3.844289241	 1.1504505078	-0.5454084049	 0.137686
+19
+0 5331	3.2039136	1.1776972	0.95208	2.5064	77.34	-0.24443	-0.00381	0.24062	1267.2936	0.156512	-422.54719	-422.538387	-422.537442	-422.580835	32.748
+C	 3.190598287	 2.941731386	 0.2833505737	-0.398779
+C	 1.7747177053	 2.543319363	-0.1584224873	-0.06028
+C	 1.6006449047	 1.0444434198	-0.3216734142	-0.201178
+C	 0.7236197708	 0.5183586464	 0.5423049519	 0.285769
+C	 0.3080694092	-0.9116634569	 0.6827764762	-0.172592
+O	-1.1042980082	-1.0692364439	 0.6044400475	-0.411993
+C	 0.1004822774	 1.6177026521	 1.3483691596	-0.05836
+O	-0.6204172927	 2.5678595193	 0.5280254527	-0.267316
+C	 0.7219856643	 2.8756924796	 0.9004072588	 0.039438
+H	 3.4518819509	 2.4659628686	 1.2341949066	 0.121764
+H	 3.9336402181	 2.6357288117	-0.4592921193	 0.120239
+H	 3.2689138651	 4.0268255691	 0.4108793719	 0.118109
+H	 1.5354951794	 3.061188352	-1.0969984079	 0.097746
+H	 2.1369870096	 0.4818167069	-1.0799210818	 0.09701
+H	 0.8328916548	-1.5308559583	-0.0610424348	 0.093182
+H	 0.5820729902	-1.2976385356	 1.6729097835	 0.115179
+H	-1.4001306409	-0.6168259846	-0.1929530334	 0.289268
+H	-0.3192211393	 1.4497515499	 2.3352695889	 0.100458
+H	 0.8445307843	 3.7465971348	 1.5407306673	 0.092336
+19
+0 5332	3.4416172	1.1184996	0.9592992	2.482	76.87	-0.24362	-0.00622	0.2374	1281.1176	0.156795	-422.547866	-422.539179	-422.538235	-422.581484	32.549
+C	 1.6010566376	-0.7974107449	-0.687412812	-0.376655
+C	 0.8611190618	 0.2789009142	 0.1276303969	-0.296706
+C	 1.5413482048	 1.6145841077	 0.0991361063	 0.337716
+C	 1.0974349808	 2.7609561504	-0.4276315726	-0.249308
+C	 2.0541957899	 3.9278390131	-0.2237957062	 0.089717
+O	 1.4743038733	 5.0025967669	 0.4978338065	-0.434744
+C	 3.2161272328	 3.272090261	 0.5331966401	-0.001455
+O	 2.8066611237	 2.8233077755	 1.8335852708	-0.27005
+C	 2.8802853177	 1.8640201554	 0.7424615343	-0.064583
+H	 2.6178608581	-0.9577155613	-0.3141049273	 0.119635
+H	 1.0739641488	-1.7544866659	-0.6318069912	 0.119183
+H	 1.673800255	-0.5082332613	-1.7402647278	 0.123847
+H	-0.1605602173	 0.3867327775	-0.25201436	 0.108117
+H	 0.7758424387	-0.0600476019	 1.1692138503	 0.113683
+H	 0.1228751904	 2.9094469159	-0.8804152254	 0.10204
+H	 2.3919935995	 4.3562614767	-1.1744037251	 0.09109
+H	 1.3233714186	 4.6597286731	 1.3888145983	 0.287558
+H	 4.2281123734	 3.659983396	 0.4656756578	 0.101022
+H	 3.6202372824	 1.081356982	 0.8784578464	 0.099893
+19
+0 5333	2.7081594	1.2008362	0.9790406	0.4977	77.59	-0.24213	-0.00043	0.2417	1251.9164	0.157486	-422.555374	-422.546714	-422.54577	-422.588793	32.946
+O	 1.0205433402	 0.1816617295	-0.4073728874	-0.411876
+C	 0.6061885979	 0.2276674379	 0.9568335675	-0.174
+C	-0.8534815505	 0.5441914852	 1.0887698537	 0.302177
+C	-1.4052959195	 1.5385764429	 1.7984484543	-0.269736
+C	-2.9111869058	 1.5922284132	 1.6438844664	 0.106456
+O	-3.3561364546	 2.7950954417	 1.0207749962	-0.431001
+C	-3.2232524529	 0.3416207412	 0.8145669738	-0.082894
+C	-2.8406826273	-0.9976133287	 1.3804735707	-0.286426
+C	-1.9001402255	-0.2891443057	 0.4210028428	-0.126713
+H	 0.8550190281	 1.0521345016	-0.7846659513	 0.281651
+H	 0.8158853397	-0.7741073249	 1.3499762077	 0.120339
+H	 1.2059663408	 0.9436054131	 1.5375781466	 0.094368
+H	-0.8650368211	 2.2462676485	 2.4182602191	 0.094369
+H	-3.4305857979	 1.5790072447	 2.6091317379	 0.094859
+H	-2.8259515056	 2.909174263	 0.2238993939	 0.271678
+H	-4.059754138	 0.4023488625	 0.128166352	 0.093173
+H	-2.5431882047	-1.0628994264	 2.4227185859	 0.11263
+H	-3.3809601977	-1.8627160909	 1.0089615975	 0.112816
+H	-1.7030538056	-0.7237738284	-0.5514281572	 0.098128
+19
+0 5334	2.2311195	1.2925103	0.8687067	3.3139	79.12	-0.23741	-0.04261	0.1948	1343.2927	0.156257	-422.596821	-422.587453	-422.586509	-422.631597	33.809
+C	 4.1006173183	 2.1046220301	-1.3684183014	-0.395874
+C	 2.776400615	 1.3250563995	-1.3854902613	-0.02621
+C	 1.5275813979	 2.1905886943	-1.1029307264	-0.351174
+C	 0.8302925781	 1.5329718084	 0.0951433112	 0.328879
+O	-0.1992335579	 1.8961514044	 0.6186259754	-0.333578
+C	 1.6550963259	 0.3659784434	 0.5011873043	 0.143922
+C	 1.2779763545	-0.5038797721	 1.662869913	-0.168811
+O	 2.2862051132	-1.4281928601	 2.0350784967	-0.410252
+C	 2.7128462352	 0.2599868591	-0.3134589467	-0.155461
+H	 4.2385656505	 2.6172634683	-0.4102598476	 0.119362
+H	 4.9549989406	 1.436548625	-1.5192574011	 0.117867
+H	 4.1185156436	 2.8581026583	-2.1618776726	 0.122945
+H	 2.6885379598	 0.8397313745	-2.3673127033	 0.093161
+H	 1.7859699648	 3.2226836995	-0.8433926092	 0.130495
+H	 0.8346185091	 2.2438471666	-1.9476517427	 0.132324
+H	 0.9662484179	 0.1337424441	 2.5039790015	 0.116959
+H	 0.3976648632	-1.1030463717	 1.401198022	 0.137752
+H	 3.0273111885	-0.9239839489	 2.3863132672	 0.284024
+H	 3.4698320318	-0.5139825327	-0.232774309	 0.113669
+19
+0 5335	2.7666449	1.2222879	0.9809054	4.3722	79.09	-0.26399	-0.0352	0.22879	1282.9405	0.156538	-422.618548	-422.609418	-422.608474	-422.65273	33.144
+C	 0.7101493621	-0.1876782947	 0.9018733592	-0.382246
+C	 0.9270318066	 0.3840677907	-0.5108105807	-0.290737
+C	 1.7987342869	-0.4883108156	-1.357322641	 0.183835
+C	 3.0267986202	-0.3013918597	-1.8436457838	-0.22783
+C	 3.4618259154	-1.5058809919	-2.6302735075	 0.073268
+C	 4.718365619	-2.1969331619	-2.1059775806	-0.393726
+O	 2.342737106	-2.4019234123	-2.5503282875	-0.234439
+C	 1.3414596466	-1.8341457941	-1.8096233601	 0.388905
+O	 0.2944077601	-2.3844687662	-1.602825423	-0.354306
+H	 0.2537939828	-1.1787345968	 0.8452434884	 0.152477
+H	 1.6591211413	-0.2740776775	 1.4404805149	 0.114552
+H	 0.0486351421	 0.4637457617	 1.4802146543	 0.116508
+H	-0.0479390103	 0.4807873148	-1.0035476075	 0.12688
+H	 1.3613365517	 1.3875798332	-0.4517677459	 0.103393
+H	 3.6587722488	 0.5693123601	-1.7166306477	 0.119238
+H	 3.5998328529	-1.2515830672	-3.690728251	 0.109967
+H	 4.5946828568	-2.4670969669	-1.053750884	 0.132392
+H	 4.9172279784	-3.1042987945	-2.6815760682	 0.139292
+H	 5.5816874626	-1.5306080312	-2.1983811982	 0.122576
+19
+0 5336	2.9339596	1.1306568	0.8871811	2.0274	79.34	-0.24032	-0.04995	0.19037	1336.9507	0.156248	-422.599121	-422.589759	-422.588814	-422.634002	33.87
+C	 1.3075809118	-1.056010254	-0.2470815008	-0.380176
+C	 1.2300791111	 0.1621888317	 0.6918151729	-0.291287
+C	 2.075196519	 1.3053842706	 0.219042622	 0.216274
+C	 3.2171490828	 1.7889413067	 0.7286024688	-0.221684
+C	 3.7930402718	 2.9575134997	-0.0407312744	 0.097879
+O	 4.0807492653	 4.0735639457	 0.7931598202	-0.427971
+C	 2.747334764	 3.2164840487	-1.1473395614	-0.36412
+C	 1.7088087392	 2.1008654084	-0.9903606593	 0.331603
+O	 0.7598985441	 1.8967794717	-1.7129909499	-0.328345
+H	 0.6647349052	-1.8619905763	 0.1187305323	 0.116022
+H	 0.9787507937	-0.7840353763	-1.252712152	 0.148514
+H	 2.331024736	-1.4391484851	-0.3092988712	 0.114986
+H	 0.1875805755	 0.4985246452	 0.7419402377	 0.121926
+H	 1.5294654073	-0.1240272912	 1.7057465881	 0.102213
+H	 3.7170068663	 1.4190606121	 1.6189917983	 0.112892
+H	 4.7645826155	 2.6902658478	-0.471862153	 0.105982
+H	 3.2739174315	 4.296854161	 1.2712778674	 0.278252
+H	 2.2706630223	 4.1914645677	-1.0033266624	 0.13281
+H	 3.1594200877	 3.2120344159	-2.1599545732	 0.134232
+19
+0 5337	3.3568058	0.9138588	0.8173519	3.6797	79.89	-0.2314	-0.03026	0.20113999999999999	1460.5817	0.155209	-422.569456	-422.560005	-422.559061	-422.604893	33.053
+C	 2.2370540902	-0.9679340111	 0.6995589826	-0.376774
+C	 1.3357678437	 0.0002827512	-0.0887780724	-0.293539
+C	 1.7997823888	 1.4244561501	-0.039527126	 0.311857
+C	 1.1855324811	 2.4782543907	 0.4951947774	-0.236528
+C	 2.0163818627	 3.7210145378	 0.3034841034	 0.00931
+O	 3.1754357644	 3.2852506367	-0.3951781225	-0.277074
+C	 3.0942554177	 1.8860247111	-0.6644486214	-0.158521
+C	 2.423161935	 4.3104955183	 1.65513988	 0.138248
+O	 1.7685653255	 5.1125416955	 2.2654696544	-0.242415
+H	 2.2902235353	-0.6804271941	 1.7539354946	 0.126588
+H	 1.8437225425	-1.9870805985	 0.644058895	 0.121552
+H	 3.2573923265	-0.983916718	 0.304201738	 0.123523
+H	 1.294003583	-0.3284735591	-1.1364379735	 0.111754
+H	 0.3124719088	-0.056997575	 0.2964526629	 0.112711
+H	 0.2309299796	 2.4903783219	 1.0049778791	 0.117707
+H	 1.4880458893	 4.5030027005	-0.262451456	 0.107951
+H	 3.1073381399	 1.7102351794	-1.7524174943	 0.107626
+H	 3.9771157834	 1.3814797574	-0.2458967527	 0.112217
+H	 3.3845926328	 3.8973372852	 2.0366277712	 0.083808
+19
+0 5338	3.8502863	0.8234808	0.7468167	1.6584	79.84	-0.24378	-0.02869	0.21509	1521.4464	0.156352	-422.578885	-422.569576	-422.568632	-422.614153	33.039
+O	-1.6269620473	-0.3103914918	 0.6908701349	-0.410527
+C	-0.3271063675	 0.0091915462	 0.2002990972	-0.168955
+C	-0.3704160679	 0.6019553995	-1.1761322918	 0.296173
+C	 0.1460532667	 1.7734890548	-1.5546935695	-0.207326
+C	-0.0410639791	 2.0472488542	-3.0355837748	-0.091029
+C	-1.0645830936	 0.9491406523	-3.4503027965	-0.250323
+C	-1.006342055	-0.1268351711	-2.339452891	-0.296975
+C	-0.574838183	 3.4439873291	-3.2908724678	 0.15783
+O	-0.0054728288	 4.3072963977	-3.9051062346	-0.248404
+H	-2.1259348751	 0.5122171986	 0.7344434773	 0.28321
+H	 0.2109664856	 0.6795145974	 0.886487461	 0.096034
+H	 0.2124581561	-0.9457243565	 0.1857654846	 0.118303
+H	 0.6876365134	 2.4539405901	-0.9053766322	 0.102772
+H	 0.9095351968	 1.9642057636	-3.5767533997	 0.097918
+H	-2.068985551	 1.3884069041	-3.4801495643	 0.107527
+H	-0.8589143648	 0.5549671067	-4.4474757279	 0.114836
+H	-1.9899692295	-0.533031337	-2.0858021435	 0.120396
+H	-0.3842747454	-0.9848994455	-2.6308868144	 0.111034
+H	-1.5808881306	 3.6229902577	-2.8393177471	 0.067507
+19
+0 5339	4.0465387	1.0845588	1.0130681	1.822	77.32	-0.22427	0.00105	0.22532	1243.9058	0.155835	-422.519139	-422.510377	-422.509432	-422.552591	33.014
+C	 4.5813796758	 0.3992854618	-2.3677863782	-0.507792
+C	 3.2479460368	 0.3849028119	-1.6758063624	 0.382246
+C	 1.931161099	 1.0064307023	-2.2521343262	-0.250714
+C	 1.6804920653	 1.0406235134	-0.7209709172	-0.02971
+O	 3.1069655336	 1.3286683159	-0.5491464957	-0.322152
+C	 1.6244820937	-0.4666073162	-0.3826832471	 0.413701
+C	 0.6128800146	-1.1286624511	 0.4799380019	-0.23018
+O	-0.6816074916	-0.7577021775	 0.0093498846	-0.42087
+C	 2.6954505525	-0.913467788	-1.0406543942	-0.289789
+H	 5.3746801465	 0.0930027425	-1.6784350478	 0.131609
+H	 4.5781236565	-0.2933363934	-3.2156870307	 0.122447
+H	 4.8149324818	 1.4009348328	-2.7380650666	 0.128582
+H	 2.0929028649	 2.001284918	-2.6753536764	 0.100131
+H	 1.2842668025	 0.3885056227	-2.877811116	 0.100004
+H	 1.0059948436	 1.7347292135	-0.2231758892	 0.080639
+H	 0.7549189639	-2.2201939946	 0.4605500051	 0.096453
+H	 0.7503742266	-0.7998796711	 1.5243143095	 0.100406
+H	-1.3268596064	-1.0410609881	 0.6642060884	 0.289412
+H	 3.1056454003	-1.9096373147	-1.1311731518	 0.105575
+19
+0 5340	3.8087537	1.0694897	1.0100179	1.543	77.23	-0.22852	0.00256	0.23108	1233.4438	0.157026	-422.531228	-422.522768	-422.521824	-422.56423	32.826
+O	 1.1842753945	 0.0062042836	-0.0884289595	-0.412116
+C	 0.0837944178	 0.9104749704	 0.0013710936	-0.201639
+C	-1.1207894227	 0.4075581724	-0.7166978319	 0.342101
+C	-1.8568123995	 0.9340284808	-1.7010029849	-0.316418
+C	-2.9331186691	-0.1421810072	-1.9535212642	 0.38619
+O	-3.8615903168	 0.0282413867	-2.9743506791	-0.482007
+C	-2.0539555529	-1.4276929253	-1.9389365029	-0.237738
+C	-1.8066226443	-0.9486316507	-0.4663960466	-0.122841
+C	-3.3120805094	-0.5129017972	-0.4699391828	-0.274597
+H	 1.3587655628	-0.1340075258	-1.0252423161	 0.281096
+H	-0.115026957	 1.0016122666	 1.0764581409	 0.115256
+H	 0.3507809429	 1.9127143756	-0.3674856197	 0.092791
+H	-1.7625484649	 1.8777736608	-2.2225685848	 0.099293
+H	-4.3220277988	 0.8621431826	-2.832167493	 0.27948
+H	-2.6446209948	-2.345981188	-2.004489378	 0.100618
+H	-1.1966463842	-1.458148514	-2.6152231867	 0.088143
+H	-1.3906710522	-1.6063874251	 0.293110297	 0.077832
+H	-4.0113820798	-1.3522013821	-0.4079780764	 0.097871
+H	-3.6043098215	 0.2993581461	 0.2005598951	 0.086687
+19
+0 5341	3.7912934	1.0385029	0.9375041	1.9535	77.51	-0.24096	-0.00315	0.23781000000000002	1305.6167	0.156049	-422.553172	-422.544299	-422.543355	-422.586751	33.278
+C	 0.8499696653	 4.058010519	 2.1213338634	-0.492556
+C	 0.6831404548	 2.9130986047	 1.163776592	 0.406492
+O	 0.1926343662	 3.2528999774	-0.162338202	-0.301755
+C	 1.4897919725	 2.6599941187	-0.0465274519	-0.030332
+C	 1.5186889716	 1.1606847817	-0.3073387814	-0.333076
+C	 0.6194398796	 0.6011860597	 0.7849354633	 0.271993
+C	 0.2374869636	-0.8471084913	 0.8229839425	-0.157939
+O	-0.4395952103	-1.2518789029	-0.3654241575	-0.41267
+C	 0.1864600473	 1.5684008122	 1.6023339296	-0.254032
+H	 1.5035693374	 3.7768264652	 2.9538720084	 0.124611
+H	 1.2805581617	 4.9235620074	 1.6122254911	 0.131991
+H	-0.1170640233	 4.3574724741	 2.5405390842	 0.128096
+H	 2.319618589	 3.2941724224	-0.3495493228	 0.09086
+H	 1.1503834813	 0.9029268203	-1.3061050007	 0.133342
+H	 2.5391263667	 0.7619223089	-0.2306999588	 0.109735
+H	 1.1307480982	-1.4818577631	 0.8692001297	 0.111909
+H	-0.3624724592	-1.0553571312	 1.7215441509	 0.092468
+H	-1.2088139969	-0.679649248	-0.4615747898	 0.285655
+H	-0.4659985455	 1.4256351749	 2.45691901	 0.095209
+19
+0 5342	3.2776387	1.0892336	0.9159682	0.7892	77.28	-0.2253	0.01818	0.24348	1299.4608	0.156442	-422.552897	-422.544088	-422.543144	-422.586153	33.673
+O	 1.5134755034	 0.9851982477	 0.7807940754	-0.407771
+C	 0.5768900287	-0.0615575815	 0.6042877241	-0.155958
+C	-0.8502717759	 0.3594023377	 0.7896374925	 0.265759
+C	-1.285857908	 1.5271953695	 1.2733323008	-0.267972
+C	-2.7782184779	 1.5702436301	 1.3671392108	 0.384779
+O	-3.4609283406	 2.7371258761	 1.0191117078	-0.468234
+C	-3.3959445776	 0.5819793347	 2.3331672541	-0.339552
+C	-3.2432366282	 0.2213804657	 0.8668814977	-0.090604
+C	-2.0069663173	-0.5621164885	 0.4345020853	-0.331261
+H	 1.2836513631	 1.6801207603	 0.1546119908	 0.283891
+H	 0.6886521606	-0.5414897956	-0.3846269106	 0.092498
+H	 0.8463634403	-0.8299664409	 1.3413883109	 0.122697
+H	-0.6529028336	 2.341754139	 1.6053615759	 0.094487
+H	-3.5130987789	 3.2957878741	 1.8017627805	 0.282639
+H	-2.7611862429	 0.1065284533	 3.0746521389	 0.109399
+H	-4.4109549458	 0.7913552764	 2.6568487135	 0.109625
+H	-4.1518911902	 0.151655348	 0.2817190907	 0.096066
+H	-1.9293800194	-1.5296485993	 0.9487111119	 0.110928
+H	-2.0192231297	-0.7868531671	-0.6408145012	 0.108585
+19
+0 5343	4.3102774	0.9423212	0.8679345	1.9026	81.17	-0.2118	0.00658	0.21838	1377.1845	0.156241	-422.538179	-422.529309	-422.528365	-422.572278	32.86
+O	 1.1951532192	-0.8995153892	 0.4042616682	-0.412007
+C	 0.5920321571	 0.3560086643	 0.7117893159	-0.170058
+C	-0.8849007763	 0.241975533	 0.91350437	 0.252603
+C	-1.614161265	 0.5869827133	 1.9746674225	-0.300259
+C	-3.038484887	 0.2861195975	 1.7271487008	 0.457225
+C	-4.0028134736	-0.2026952991	 2.7764986262	-0.325277
+C	-4.1815738846	 1.170698473	 2.1591676173	-0.324039
+O	-3.109399271	-0.3069869297	 0.4450025143	-0.313612
+C	-1.8056741646	-0.3358364165	-0.1351851096	-0.164893
+H	 1.0062883103	-1.4935380684	 1.1386139112	 0.283774
+H	 1.0571903995	 0.8253856086	 1.5912264955	 0.095616
+H	 0.8138044666	 0.9932876197	-0.1531984833	 0.118146
+H	-1.2534295663	 1.0343444149	 2.8927308602	 0.107459
+H	-4.68952429	-0.9817018973	 2.4646679016	 0.126811
+H	-3.6630830532	-0.2766093216	 3.8043131765	 0.111706
+H	-4.9852166745	 1.2922569909	 1.4415418324	 0.126692
+H	-3.9658331254	 2.0486163225	 2.7591107209	 0.112169
+H	-1.5391734607	-1.3674390259	-0.4042854614	 0.11394
+H	-1.7917356805	 0.2554494899	-1.0654948491	 0.104003
+19
+0 5344	4.0897921	0.9293558	0.8417727	1.6863	79.7	-0.24063	0.00186	0.24249	1392.6519	0.156683	-422.548177	-422.539294	-422.53835	-422.582897	32.544
+O	 1.8588261231	 0.5684473943	-0.0204912538	-0.411327
+C	 0.4572708779	 0.8039170156	 0.1025909334	-0.166996
+C	-0.2940706923	 0.430206337	-1.1388197775	 0.282257
+C	-1.3018851677	-0.4416681217	-1.2327294797	-0.26626
+C	-1.7884183234	-0.5736524633	-2.6284931281	 0.447886
+C	-2.3874647161	-1.8038124773	-3.1716298158	-0.250295
+O	-3.2055200524	-0.6779112126	-2.8539697034	-0.279919
+C	-0.9953970347	 0.4444875201	-3.4583491725	-0.324103
+C	 0.0726170775	 1.0143084835	-2.4888174519	-0.305801
+H	 1.9765387735	-0.3750713465	-0.1738484343	 0.282755
+H	 0.035108765	 0.2838636975	 0.9750651417	 0.09479
+H	 0.3677561562	 1.8814320441	 0.2883575897	 0.117359
+H	-1.740141631	-1.0001896146	-0.4129140457	 0.098863
+H	-2.280844498	-2.0237872108	-4.2342401615	 0.11065
+H	-2.5205614325	-2.6773229349	-2.5326692598	 0.107801
+H	-0.5527458924	-0.0052689693	-4.3504807157	 0.10759
+H	-1.6838072812	 1.2244012446	-3.7955858212	 0.126443
+H	 1.0893303467	 0.7174859551	-2.7691687002	 0.117894
+H	 0.0786788916	 2.1107849191	-2.4612814834	 0.110413
+19
+0 5345	4.5930961	0.8818591	0.8077495	0.8854	77.92	-0.21845	0.01929	0.23774	1423.518	0.156963	-422.551442	-422.542743	-422.541799	-422.584696	33.087
+O	 1.4898990802	 0.9452001315	 0.8444435387	-0.40798
+C	 0.5585791015	-0.1095014439	 0.6832817579	-0.157402
+C	-0.8741496329	 0.315686808	 0.8009468121	 0.25522
+C	-1.3271185116	 1.5106304848	 1.2021169023	-0.189937
+C	-2.812848104	 1.5586579438	 1.2557860929	-0.134296
+C	-3.4473637167	 0.5833297461	 2.2390840024	 0.098378
+O	-4.775698712	 0.7758289702	 2.6221665278	-0.428138
+C	-3.2657332913	 0.1664122356	 0.8140819879	-0.065473
+C	-2.0142946864	-0.6245835467	 0.4414231716	-0.334578
+H	 1.2850910006	 1.6089128643	 0.1772147311	 0.282609
+H	 0.7043730521	-0.633308414	-0.2787638987	 0.091299
+H	 0.8036978033	-0.843806885	 1.4625011268	 0.123089
+H	-0.6929810437	 2.332568615	 1.5126916063	 0.09646
+H	-3.3671367588	 2.4549486851	 0.9994065863	 0.086929
+H	-2.7931946242	 0.1516367135	 2.9987785746	 0.083572
+H	-4.7949130745	 1.4753857364	 3.2838535635	 0.286437
+H	-4.1763208024	 0.04415694	 0.2404351813	 0.097468
+H	-1.9494534738	-1.5783197277	 0.9823873834	 0.111025
+H	-1.9957090554	-0.8784865272	-0.6280979281	 0.105318
+19
+0 5346	3.7074237	1.1417997	1.0598329	1.9477	76.44	-0.2366	-0.00236	0.23424	1188.8821	0.158525	-422.544391	-422.536516	-422.535572	-422.576907	30.682
+O	 1.9144876405	 0.4664085448	-0.1916112049	-0.412173
+C	 0.5304663842	 0.7483650728	 0.0126228217	-0.162414
+C	-0.3000839474	 0.4489206844	-1.2024372098	 0.287915
+C	-1.3222797233	-0.4118063852	-1.2140672458	-0.176895
+C	-2.0547970145	-0.5763101274	-2.529694833	 0.052618
+C	-1.0280802861	-0.8605954397	-3.6531941846	-0.239307
+C	-0.9071357167	 0.6796398428	-3.6102821885	 0.080942
+C	 0.0414292357	 1.1598613174	-2.5025986917	-0.295133
+O	-2.273367691	 0.7502238705	-3.1051241078	-0.293774
+H	 1.9848993111	-0.4736321866	-0.3894956142	 0.280422
+H	 0.1327221397	 0.2058029088	 0.8832948882	 0.091226
+H	 0.4936960497	 1.8194163308	 0.247027831	 0.114917
+H	-1.6267716184	-0.969820157	-0.3333645044	 0.086954
+H	-2.9760360145	-1.1583557137	-2.4672786511	 0.07518
+H	-0.1560226332	-1.4732832437	-3.4165836451	 0.094348
+H	-1.5062183792	-1.1966031945	-4.5747166536	 0.108973
+H	-0.7834133245	 1.2295579117	-4.5468507005	 0.076254
+H	 1.0892071859	 0.9786669976	-2.7713789209	 0.115405
+H	-0.0606510281	 2.2457009761	-2.3717937551	 0.114542
+19
+0 5347	2.7294613	1.4737433	1.1916405	2.1067	76.24	-0.23051	-0.00523	0.22527999999999998	1096.538	0.156327	-422.520303	-422.511751	-422.510807	-422.5533	32.762
+C	 2.3958452677	-0.8279114651	-0.9127927594	-0.517877
+C	 2.2147875229	-0.5583716939	 0.5534181661	 0.316326
+C	 3.0833233471	 0.4304392959	 1.3991911905	-0.25289
+C	 2.5643450704	-0.5674478403	 2.4725516425	 0.025558
+O	 2.6821309469	-1.6219643249	 1.4642278632	-0.316836
+C	 1.0520684704	-0.2817810555	 2.4523532561	-0.225979
+C	 0.7997216634	-0.2789898623	 1.1404069855	 0.309256
+C	-0.4475340483	-0.0489627256	 0.3597973859	-0.203876
+O	-0.330918094	 1.0688245661	-0.5242614645	-0.411814
+H	 1.8673807696	-1.7438328383	-1.1975896352	 0.130229
+H	 1.9812244534	-0.00121615	-1.4957785856	 0.142036
+H	 3.4531817591	-0.9536945629	-1.1593591972	 0.123513
+H	 4.1517805564	 0.3179457299	 1.1982091957	 0.104427
+H	 2.7840016542	 1.4792848299	 1.4622584477	 0.086585
+H	 3.0731063617	-0.7757180049	 3.4123944404	 0.079435
+H	 0.3941848542	-0.1321706771	 3.2968765801	 0.109018
+H	-0.6614617491	-0.9026249359	-0.2941554496	 0.121379
+H	-1.3046746251	 0.0645566773	 1.0398845663	 0.099356
+H	-0.1224540808	 1.8374337874	 0.0175638814	 0.282153
+19
+0 5348	2.7893267	1.510579	1.213357	2.7105	76.34	-0.22806	0.00853	0.23659000000000002	1074.6469	0.157579	-422.53183	-422.523648	-422.522704	-422.564239	32.313
+O	 1.6121241575	 1.0589459466	 0.2678707002	-0.42472
+C	 0.8882516498	-0.0488835286	 0.7890339449	-0.207861
+C	-0.577940168	 0.2211343872	 0.8393011395	 0.283634
+C	-1.6661004529	-0.3925159141	 0.3693162569	-0.223409
+C	-2.8114717525	 0.5335689655	 0.8082025784	-0.074514
+C	-2.1985160123	 1.9360901834	 0.4506725662	-0.239082
+C	-1.1740351292	 1.4755192561	 1.5256242558	 0.305267
+O	-0.2842732351	 2.4086158945	 2.0852476588	-0.491334
+C	-2.3893410699	 0.8489690734	 2.2869005865	-0.271707
+H	 1.3293700101	 1.8290823332	 0.7789504997	 0.28987
+H	 1.1004819019	-0.9048389929	 0.1405680431	 0.116524
+H	 1.2572988262	-0.3142986859	 1.7971377727	 0.079136
+H	-1.7579686766	-1.3108533488	-0.1942050563	 0.103214
+H	-3.8345503679	 0.2712678437	 0.5497593718	 0.071937
+H	-1.827392505	 2.0812735006	-0.5652559019	 0.106309
+H	-2.8139258068	 2.7787113346	 0.7797505375	 0.098469
+H	 0.0101151925	 2.0740293899	 2.9395628779	 0.288121
+H	-2.1933077489	-0.0007096487	 2.9458487951	 0.091556
+H	-3.0241360528	 1.5961034402	 2.7734261031	 0.09859
+19
+0 5349	3.5681915	1.0912046	1.0257033	2.0502	77.04	-0.23531	-0.0052	0.23010999999999998	1249.3003	0.156744	-422.513265	-422.504771	-422.503827	-422.546469	32.259
+C	 3.4288497659	 2.8568359245	 0.446713658	-0.426095
+C	 2.3355443207	 1.9569474768	 0.9977023607	 0.036722
+C	 0.9024926101	 2.5861076852	 1.1251585753	 0.012742
+O	 0.7554236844	 2.4082981546	-0.3243015851	-0.290825
+C	 1.482969562	 1.1639808802	-0.0556351344	-0.045169
+C	 0.4896076451	 0.4123349986	 0.853611416	 0.330439
+C	 0.1196507507	-1.0255226242	 0.7455717981	-0.200545
+O	-0.2990047133	-1.370474681	-0.5728101298	-0.412312
+C	 0.0890689781	 1.3999259364	 1.6629441215	-0.219107
+H	 3.7703264668	 3.5655230826	 1.2093494209	 0.114703
+H	 4.2981073033	 2.2661525403	 0.1372930638	 0.116042
+H	 3.0676885679	 3.421369315	-0.4157950089	 0.13689
+H	 2.6754702466	 1.3801927774	 1.8627149876	 0.070022
+H	 0.7101087168	 3.5981003702	 1.4810414372	 0.077702
+H	 1.8938542003	 0.6730612619	-0.936877655	 0.086941
+H	 0.9867746787	-1.6678172577	 0.9438972213	 0.117136
+H	-0.6465787868	-1.2753926673	 1.495117051	 0.097264
+H	-1.0070966565	-0.7631773755	-0.8136871137	 0.28718
+H	-0.6034333709	 1.3948575321	 2.4925592553	 0.110269
+19
+0 5350	3.6833867	1.0744887	1.0258718	1.688	77.3	-0.23623	0.00403	0.24026	1255.7267	0.156942	-422.521543	-422.513223	-422.512279	-422.554675	31.942
+C	 1.3077207337	-0.8356021167	-1.095104485	-0.371259
+C	 1.1904549757	-0.2104574056	 0.307027531	-0.320757
+C	 1.7745798977	 1.1604701721	 0.3884279005	 0.373946
+C	 2.8198837863	 1.6620777456	 1.0642018963	-0.218462
+C	 2.7719043435	 3.1326187748	 0.6861364141	-0.036072
+O	 2.4804254573	 3.0862074769	-0.760285302	-0.312939
+C	 1.2501974835	 2.4179668691	-0.307005221	-0.10141
+C	 1.2399867419	 3.4513453667	 0.8860105087	 0.199783
+O	 0.8335723146	 4.7397954883	 0.5710504253	-0.445396
+H	 0.8507026027	-1.8295875164	-1.1145581286	 0.11497
+H	 0.8060999416	-0.2203821122	-1.8487579938	 0.122145
+H	 2.3563284786	-0.9331683565	-1.3907050092	 0.128131
+H	 0.1291104022	-0.1718989519	 0.5897685252	 0.109307
+H	 1.6822452705	-0.8573066485	 1.0421542922	 0.107842
+H	 3.5050225405	 1.1818154634	 1.7477994263	 0.108181
+H	 3.5700472652	 3.8192728165	 0.9647928177	 0.083069
+H	 0.4609827718	 2.3627623843	-1.0566141746	 0.080547
+H	 0.7682879551	 3.157950014	 1.8258713978	 0.09148
+H	 1.2753471274	 4.956838656	-0.262209891	 0.286895
+19
+0 5351	3.5788513	1.0703702	1.0176949	0.7611	77.58	-0.2268	0.00694	0.23374	1236.4168	0.157498	-422.52884	-422.520433	-422.519489	-422.561886	32.352
+O	 1.7629715625	 0.5312650424	 1.1763814122	-0.413142
+C	 0.7795087957	 0.196576391	 0.1983179409	-0.201411
+C	-0.575180215	 0.7039075682	 0.5537110865	 0.312519
+C	-1.7528490188	 0.0697391353	 0.666072415	-0.215626
+C	-2.7357940939	 1.1878422074	 1.0045901913	-0.082445
+C	-1.9102651284	 2.0012470361	 2.0575859603	-0.215535
+C	-0.9378549541	 2.162049301	 0.8434729249	-0.167561
+C	-2.2538876341	 2.2558077382	-0.0400891183	 0.166832
+O	-2.9910416394	 3.4482931847	 0.0370820653	-0.443218
+H	 1.4457978574	 0.1948799888	 2.0212952706	 0.280393
+H	 1.1386297849	 0.6609909962	-0.7286970373	 0.112775
+H	 0.7367177446	-0.8895698946	 0.02231868	 0.092303
+H	-1.9877403306	-0.9741760358	 0.5073660108	 0.099661
+H	-3.7918532123	 0.9539780484	 1.1326458717	 0.066393
+H	-2.392835104	 2.9363294969	 2.3456490462	 0.11272
+H	-1.5365958058	 1.4564759361	 2.9279803057	 0.081762
+H	-0.1495670541	 2.9139226307	 0.8095168463	 0.066363
+H	-2.154706185	 1.901919542	-1.0750257293	 0.061935
+H	-2.5917454097	 4.0887475872	-0.5600398029	 0.28528
+19
+0 5352	3.554402	1.0594978	0.9573354	1.764	77.19	-0.24162	-0.00501	0.23661000000000001	1292.2937	0.156083	-422.553256	-422.544404	-422.543459	-422.586814	33.247
+C	 4.1766665294	 1.959803263	-1.3729037584	-0.484554
+C	 3.2068044045	 0.8105871817	-1.3786534135	 0.411124
+C	 1.9866864801	 0.8105768635	-0.4543462554	-0.365696
+C	 1.6755189123	-0.6639968695	-0.2595821898	 0.272177
+C	 0.4588431706	-1.1190300543	 0.4866577441	-0.158553
+O	-0.7437823043	-0.6267616295	-0.1010419723	-0.412666
+C	 2.5685309855	-1.4390178459	-0.8885333716	-0.200378
+C	 3.5533372468	-0.602562111	-1.6327808098	-0.058815
+O	 2.9326197613	 0.2182014816	-2.6557793818	-0.302008
+H	 4.5785599131	 2.1276125597	-0.3681828611	 0.12111
+H	 5.0068189398	 1.7634704088	-2.0559481272	 0.129785
+H	 3.6834758797	 2.8837215484	-1.695274128	 0.128485
+H	 2.2094400258	 1.300637709	 0.5033310747	 0.107371
+H	 1.1406141341	 1.3486073394	-0.8952322997	 0.131453
+H	 0.452574461	-2.216701464	 0.5629371261	 0.092755
+H	 0.4590230198	-0.7182976792	 1.5077484069	 0.112156
+H	-0.752589837	-0.9233027084	-1.0177620368	 0.285676
+H	 2.5640986937	-2.5228424864	-0.9015765797	 0.098955
+H	 4.556126804	-0.946998637	-1.8686315467	 0.091625
+19
+0 5353	3.4926874	1.0631827	0.9184455	1.305	77.85	-0.22791	0.0099	0.23781	1297.6204	0.156631	-422.553808	-422.545056	-422.544112	-422.587118	33.547
+O	 1.1829557117	-0.0456522088	-0.3729126648	-0.413872
+C	 0.6856848685	 0.0607576471	 0.9602253106	-0.166259
+C	-0.7574083291	 0.4547561391	 0.9999683156	 0.274176
+C	-1.2860835215	 1.5062525568	 1.6398940038	-0.185676
+C	-2.7666696965	 1.5642818324	 1.496761302	-0.11679
+C	-3.5345273293	 0.3801500625	 2.0834077495	-0.339082
+C	-3.1305972104	 0.3755956621	 0.6336197333	 0.394501
+O	-4.1140458378	 0.5233678632	-0.3459989471	-0.468423
+C	-1.8257611198	-0.326536549	 0.2524911355	-0.376668
+H	 1.0407582753	 0.80789036	-0.7960346975	 0.282161
+H	 0.8296568529	-0.9374018032	 1.3923404591	 0.111247
+H	 1.2834974087	 0.7643970234	 1.5597752476	 0.090718
+H	-0.719057303	 2.2211372146	 2.2274530224	 0.092135
+H	-3.286348275	 2.5107754953	 1.4027593755	 0.097323
+H	-3.0247938057	-0.2658709519	 2.7915859136	 0.108228
+H	-4.5899025545	 0.5453522058	 2.2744069979	 0.111719
+H	-4.6157307891	-0.2978852282	-0.3907872228	 0.282082
+H	-1.8193206393	-1.391355567	 0.51984147	 0.103411
+H	-1.672209996	-0.2746217042	-0.8322175342	 0.11907
+19
+0 5354	2.8367924	1.3594399	1.0828087	1.8234	76.48	-0.24412	-0.00985	0.23427	1153.1478	0.156852	-422.545382	-422.536701	-422.535757	-422.57874	32.616
+C	 2.8472899288	 0.3313395597	-0.4296556076	-0.397489
+C	 2.3194177725	-0.6285498548	 0.6491065893	-0.113546
+C	 3.2281855071	-0.6947765952	 1.8782099321	 0.032303
+O	 3.3683911811	 0.5504517619	 2.5669915517	-0.260394
+C	 2.4180148879	-0.4198933784	 3.0746831613	 0.002537
+C	 1.0269564151	-0.1799463694	 2.5943693753	-0.19966
+C	 0.9659754299	-0.255847072	 1.2580924663	 0.268306
+C	-0.2593446935	 0.0043768809	 0.4315583637	-0.165646
+O	-0.1715446862	 1.2020903939	-0.3396202875	-0.405499
+H	 3.7862093661	-0.045442876	-0.8483304915	 0.108534
+H	 2.1268014052	 0.4561130315	-1.2394432028	 0.13708
+H	 3.039919351	 1.3132422738	 0.0111557484	 0.1287
+H	 2.2405708424	-1.6355859488	 0.2125271944	 0.083032
+H	 4.1110265703	-1.3294242488	 1.8806431612	 0.093546
+H	 2.6385434908	-0.8039152858	 4.0657140716	 0.097284
+H	 0.1929934388	 0.0426378916	 3.2504404744	 0.099205
+H	-0.4061961784	-0.7959643753	-0.3034170551	 0.111708
+H	-1.1451833976	 0.018101541	 1.0844885026	 0.09521
+H	 0.0509484488	 1.9152690803	 0.2686332722	 0.284788
+19
+0 5355	3.060414	1.2775686	1.0203092	2.2237	76.83	-0.24363	-0.00864	0.23499	1205.1895	0.156605	-422.54802	-422.539298	-422.538353	-422.581523	32.781
+C	 1.5749773133	-0.8712398873	 0.661431289	-0.383687
+C	 1.0435865693	 0.1917515145	-0.3187376478	-0.287819
+C	 1.6920859737	 1.5388614972	-0.1781172084	 0.271495
+C	 1.107649028	 2.6786052879	 0.2205377311	-0.206782
+C	 2.0368545282	 3.8376171332	 0.0980762561	 0.006122
+O	 2.4742865101	 4.0698923764	-1.2670241189	-0.254135
+C	 3.3095683626	 3.3016727114	-0.4075597404	-0.003632
+C	 3.1539514658	 1.786744217	-0.5517990905	 0.00353
+O	 4.0878392571	 1.0825130887	 0.2625758336	-0.417889
+H	 1.0688078369	-1.8277958783	 0.4995806253	 0.11293
+H	 2.6493916053	-1.0198180292	 0.5349886684	 0.141584
+H	 1.3947741002	-0.5669652368	 1.6980718918	 0.110641
+H	 1.1971792947	-0.1677939283	-1.3454428315	 0.111498
+H	-0.0388604332	 0.3016131886	-0.1885984262	 0.10343
+H	 0.0714926308	 2.7756673508	 0.5246154728	 0.102691
+H	 1.9478181779	 4.7317977799	 0.7066822907	 0.099434
+H	 4.2900062599	 3.711256614	-0.1763212564	 0.100603
+H	 3.3637506594	 1.4637568648	-1.5775905139	 0.108553
+H	 3.85240251	 1.2533496557	 1.1817185152	 0.281434
+19
+0 5356	2.9290417	1.3706378	1.0943584	2.8757	76.65	-0.2382	0.00085	0.23904999999999998	1141.021	0.158182	-422.553787	-422.545456	-422.544512	-422.586524	32.299
+O	 1.8450240828	 0.3319402603	-0.0879224994	-0.428562
+C	 0.4757437844	 0.6771193712	 0.0788125242	-0.163301
+C	-0.342888212	 0.3922348401	-1.1468014457	 0.252368
+C	-1.3756440139	-0.4431897161	-1.2854911803	-0.194644
+C	-1.8622222581	-0.5103332153	-2.697915365	-0.066867
+C	-0.8494518366	-1.0750546856	-3.6746096034	-0.297523
+C	-0.9592612141	 0.4223573153	-3.4725302642	-0.068813
+C	-0.0165340302	 1.0827137232	-2.4705782331	 0.021097
+O	 1.3760657908	 1.0176752032	-2.8199254078	-0.432013
+H	 2.1141617102	 0.7193910612	-0.9324935814	 0.286223
+H	 0.1021815413	 0.0975965695	 0.9293018592	 0.106599
+H	 0.3737947479	 1.7450167266	 0.3436672709	 0.085794
+H	-1.7986259974	-1.048965288	-0.490778293	 0.10017
+H	-2.9197671332	-0.6036789625	-2.9156782438	 0.094098
+H	-0.0089944368	-1.6228526506	-3.258116491	 0.112977
+H	-1.2108069077	-1.4584883975	-4.6230540563	 0.117787
+H	-1.3330599196	 1.011520894	-4.3005075414	 0.09355
+H	-0.2139178816	 2.1603238074	-2.4027850419	 0.096497
+H	 1.5465969439	 0.1183701338	-3.1251881568	 0.284563
+19
+0 5357	3.5169041	1.1232199	0.9806176	2.0808	78.48	-0.23484	0.00521	0.24004999999999999	1246.8507	0.157743	-422.537772	-422.529405	-422.528461	-422.570934	31.768
+O	 1.9269294005	 0.5856626163	-0.0896919955	-0.410282
+C	 0.5259853886	 0.8168149201	 0.0443340988	-0.16086
+C	-0.2442249132	 0.4384904478	-1.1896164212	 0.256403
+C	-1.2148735793	-0.4780327313	-1.1990047045	-0.188297
+C	-1.970857565	-0.7658181672	-2.4416647153	-0.093703
+C	-1.4400528627	-1.735044071	-3.4923814922	-0.301536
+C	-1.3602020876	-0.249600526	-3.7140931553	 0.099085
+O	-0.0869108223	 0.323260096	-3.6328733479	-0.257758
+C	 0.1335651494	 1.1299242741	-2.4822887109	-0.166493
+H	 2.0419950779	-0.348618656	-0.2944145348	 0.283051
+H	 0.1103448094	 0.2908789732	 0.9169649047	 0.093048
+H	 0.4381294887	 1.8929359122	 0.2404425849	 0.114308
+H	-1.4889742982	-1.0078513081	-0.2887962625	 0.086779
+H	-3.0528822114	-0.7148597444	-2.3530079852	 0.097392
+H	-0.5009477352	-2.2334008446	-3.2813661849	 0.120458
+H	-2.1590422508	-2.3129072912	-4.0630333631	 0.111642
+H	-2.0020202947	 0.2075634167	-4.4652978001	 0.088021
+H	 1.2029792068	 1.3570844773	-2.4783467765	 0.129632
+H	-0.408037041	 2.0880924363	-2.5670481285	 0.09911
+19
+0 5358	3.3618767	1.1110035	0.9609668	1.3433	77.2	-0.24525	-0.00484	0.24040999999999998	1258.9811	0.158019	-422.548827	-422.540452	-422.539508	-422.582148	31.592
+O	 1.9220349153	 0.4994089382	-0.1140442423	-0.409401
+C	 0.5305129703	 0.7714779911	 0.0323921271	-0.158858
+C	-0.2523259465	 0.4456783229	-1.2134210485	 0.288475
+C	-1.2540072912	-0.4395625544	-1.2022386329	-0.186109
+C	-2.0395701216	-0.746370589	-2.4235970302	 0.015206
+O	-1.4755181274	-1.6998402652	-3.3498648323	-0.258912
+C	-1.5075416686	-0.3169400391	-3.7241770684	 0.037019
+C	-0.1616361732	 0.3957821005	-3.7677984363	-0.238144
+C	 0.1493458581	 1.1766703257	-2.4765799652	-0.308738
+H	 2.0091267417	-0.4409148908	-0.3048516942	 0.284677
+H	 0.1045482954	 0.2392456479	 0.8955212498	 0.093643
+H	 0.4744778178	 1.8461183384	 0.2468117456	 0.114192
+H	-1.5289506861	-0.9481142637	-0.280773364	 0.086524
+H	-3.1164118682	-0.8544045493	-2.2946236597	 0.090373
+H	-2.2096316105	-0.0980086616	-4.5281123806	 0.090938
+H	 0.606006636	-0.3689131597	-3.926171928	 0.121031
+H	-0.1220851106	 1.0715973724	-4.6279364363	 0.099957
+H	 1.2185700746	 1.403535081	-2.4273182526	 0.125416
+H	-0.3646158154	 2.1492701746	-2.490476401	 0.112711
+19
+0 5359	3.541163	1.2322858	1.1863413	1.7655	76.04	-0.23754	0.00674	0.24428	1146.2052	0.158197	-422.554904	-422.547	-422.546056	-422.587716	30.187
+C	 1.8378253261	-0.0099051353	 2.7619457959	-0.375172
+C	 1.7221023632	 1.5248609177	 2.7558668768	-0.312311
+C	 2.2436086364	 2.1523885268	 1.5054617969	 0.382231
+C	 3.2144124154	 3.0491441864	 1.3028065251	-0.235625
+C	 3.1275135405	 3.4121523362	-0.1711243578	-0.024148
+C	 1.7992676804	 4.2196822708	-0.3377800842	-0.076784
+O	 0.8139536067	 3.2119397391	-0.0831154962	-0.276749
+C	 1.6023436105	 2.0103040518	 0.1186709819	 0.063283
+O	 2.6869653835	 2.1712030806	-0.7609418161	-0.229709
+H	 1.4288918268	-0.4242645795	 3.688293773	 0.116457
+H	 1.2887874145	-0.456939531	 1.9270020335	 0.121254
+H	 2.8826847328	-0.3233752804	 2.6786115251	 0.125923
+H	 0.6659547777	 1.8042598889	 2.8750176731	 0.118985
+H	 2.2520161291	 1.9391280945	 3.6206686816	 0.10606
+H	 3.8358641746	 3.5462817481	 2.035607349	 0.103569
+H	 4.0071745762	 3.8052352681	-0.6761319929	 0.091713
+H	 1.7036430311	 5.0447965714	 0.3749466675	 0.102476
+H	 1.6872484665	 4.5933910132	-1.3611012431	 0.109062
+H	 0.9958948081	 1.1387607225	-0.119850189	 0.089485
+19
+0 5360	3.6060626	1.205706	1.1694005	2.2276	75.66	-0.23562	0.00596	0.24158	1152.8328	0.158311	-422.554498	-422.546646	-422.545702	-422.58711	30.139
+C	 1.298029599	-0.6890665561	 1.0614430189	-0.373616
+C	 1.1559213591	 0.1988668333	-0.1880495062	-0.311753
+C	 1.9003051706	 1.4906070237	-0.0802214749	 0.360496
+C	 2.8987827172	 1.9907821219	-0.8157162822	-0.224777
+C	 3.0838376993	 3.4135617675	-0.3062997635	 0.139265
+O	 1.9652847877	 4.1905983824	-0.8100379189	-0.27635
+C	 0.8595024817	 3.7258245252	-0.0300130198	-0.08245
+C	 1.5359362839	 2.637570983	 0.8667973925	-0.087605
+O	 2.8006839902	 3.2908326292	 1.0705425931	-0.229791
+H	 0.730462748	-1.6168278807	 0.9424777016	 0.116673
+H	 2.3461507411	-0.948527631	 1.2366527598	 0.128188
+H	 0.9263565456	-0.1828637557	 1.9580311013	 0.120314
+H	 1.5062241662	-0.3471236338	-1.0707491831	 0.110341
+H	 0.0893449621	 0.404798527	-0.3570742434	 0.108519
+H	 3.3795513348	 1.5630844703	-1.6848781588	 0.107616
+H	 4.009951095	 3.9516416024	-0.4951825992	 0.093394
+H	 0.466684499	 4.5477464789	 0.5776467907	 0.109193
+H	 0.0675174625	 3.3276789299	-0.6730855049	 0.102227
+H	 1.0449461369	 2.4099495227	 1.810861047	 0.090117
+19
+0 5361	3.4810568	1.206852	1.1642726	1.4413	76.08	-0.23819	0.00071	0.2389	1132.3416	0.159186	-422.558148	-422.550425	-422.549481	-422.590549	30.139
+O	 1.7318250368	 0.7698992622	-0.1554618103	-0.41209
+C	 0.7843072764	 0.1203600188	 0.6899032115	-0.197461
+C	-0.5458533952	 0.7999324773	 0.6772520988	 0.321197
+C	-1.7659726481	 0.2770066726	 0.4879255324	-0.204915
+C	-2.7562514351	 1.4043469107	 0.7329438193	 0.072523
+C	-1.9888413672	 2.6034885541	 0.1553519593	-0.225499
+C	-0.7465345137	 2.2717841656	 1.0240454921	-0.146953
+C	-1.4430278205	 2.2685544037	 2.4181719359	-0.074175
+O	-2.7326627794	 1.6986380655	 2.1621338955	-0.278899
+H	 1.3661633887	 0.7682040954	-1.046385346	 0.282055
+H	 0.6679162745	-0.9418799999	 0.4274601575	 0.095936
+H	 1.2285230594	 0.1592085409	 1.6923156522	 0.118825
+H	-2.0192437261	-0.7646439012	 0.3317276309	 0.098468
+H	-3.7937079253	 1.2476591072	 0.4433386887	 0.074123
+H	-1.7924760232	 2.5266470046	-0.9150868106	 0.097557
+H	-2.4591695517	 3.5617628931	 0.3928686522	 0.101322
+H	 0.1307831679	 2.9116000998	 0.9455454753	 0.081886
+H	-0.9038373623	 1.6674822365	 3.1599005666	 0.097221
+H	-1.5640367859	 3.2864236627	 2.8099110286	 0.098879
+19
+0 5362	3.4495052	1.218844	1.1655959	1.8704	75.73	-0.24395	0.00419	0.24814	1136.985	0.15923	-422.561642	-422.553858	-422.552914	-422.594135	30.212
+O	 1.819672484	 0.8545035841	 0.05598701	-0.413071
+C	 0.822589264	 0.1647949353	 0.805766305	-0.189087
+C	-0.508347327	 0.8332141116	 0.7263904239	 0.325705
+C	-1.7169192065	 0.3395472443	 0.4429840135	-0.217925
+C	-2.688017484	 1.4965430589	 0.6399330411	 0.025213
+C	-2.821989137	 1.7286625297	 2.1817549314	-0.212013
+C	-1.4144588169	 2.3092039219	 2.5054022869	-0.219181
+C	-0.7624207055	 2.2995405695	 1.0843444102	-0.030903
+O	-1.8865285282	 2.6225346047	 0.2566242753	-0.250059
+H	 1.4986238033	 0.9219723906	-0.8496671485	 0.285433
+H	 0.7361948864	-0.8873867771	 0.4952311837	 0.096288
+H	 1.1949879449	 0.1664250215	 1.8382360232	 0.117446
+H	-1.9905946286	-0.6861286426	 0.2305627312	 0.101076
+H	-3.6204315006	 1.4760795684	 0.0770366139	 0.079134
+H	-3.6090496925	 2.4588236595	 2.383688178	 0.106777
+H	-3.0541815928	 0.8109952699	 2.7264301693	 0.0995
+H	-1.483042953	 3.3334962424	 2.8781526773	 0.107238
+H	-0.852076539	 1.7178853281	 3.2319275067	 0.100364
+H	 0.0582116288	 2.9960312193	 0.9234826281	 0.088067
+19
+0 5363	3.1700434	1.3899797	1.2554038	2.6353	76.02	-0.24215	0.0012	0.24335	1070.5974	0.159151	-422.557899	-422.550132	-422.549188	-422.59034	30.166
+O	 0.3440771849	 0.2868980997	 1.027781736	-0.418298
+C	 0.2477732174	 0.750737367	-0.3160698358	-0.173851
+C	-0.9999763489	 0.2540882984	-0.9685314726	 0.300539
+C	-1.9996743094	 0.9274282404	-1.555488267	-0.196904
+C	-3.1356385867	-0.0532150587	-1.7955261744	-0.094929
+C	-3.6421101396	-0.4342425051	-0.369302432	-0.070045
+O	-2.5344460725	-1.1357205613	 0.2147720328	-0.286956
+C	-1.5028456442	-1.1784973404	-0.8229725554	 0.015863
+C	-2.3352678336	-1.3481862587	-2.0978248717	-0.225986
+H	-0.5418981342	 0.3182574125	 1.4061362836	 0.290449
+H	 0.2948467475	 1.8498235398	-0.3731257074	 0.091184
+H	 1.1412725489	 0.3631345096	-0.8228644755	 0.111046
+H	-2.0663561156	 1.9985576229	-1.7063376215	 0.098651
+H	-3.9186841626	 0.2438857948	-2.4920668615	 0.071154
+H	-3.8956421033	 0.4425797429	 0.2370376052	 0.096289
+H	-4.5136206707	-1.0995289818	-0.4143968647	 0.100889
+H	-0.7822166027	-1.9438370195	-0.5426346095	 0.084249
+H	-1.7490669931	-1.2787403211	-3.0151138696	 0.105157
+H	-2.9390141616	-2.2600784116	-2.0952992493	 0.101498
+19
+0 5364	4.2212507	1.0235402	0.9307387	2.518	77.66	-0.24295	0.00841	0.25136000000000003	1286.7191	0.158155	-422.549075	-422.540867	-422.539923	-422.582278	30.786
+O	 1.9494071484	 0.4730395294	-0.1519927143	-0.412137
+C	 0.5648062245	 0.7560118594	 0.0435424355	-0.172696
+C	-0.2543424582	 0.4546877152	-1.1743242418	 0.299169
+C	-1.3065247251	-0.3686234278	-1.2394526137	-0.199119
+C	-1.9169933197	-0.4330550896	-2.6100246893	-0.112977
+C	-3.0907415728	 0.5434175638	-2.8669286146	-0.074299
+O	-2.196016476	 1.5288968828	-3.4213083778	-0.292256
+C	-1.0830693804	 0.6026061279	-3.4155021309	 0.117621
+C	 0.0743742095	 1.0666862736	-2.5242437826	-0.311879
+H	 2.0212180964	-0.4652925825	-0.3567267658	 0.281981
+H	 0.162363665	 0.2186384581	 0.9153294878	 0.091755
+H	 0.525753728	 1.8278575945	 0.2730883049	 0.118294
+H	-1.7083404288	-0.9182049907	-0.3935451045	 0.090568
+H	-2.0419372424	-1.4455468618	-3.0016663488	 0.079853
+H	-3.8186808701	 0.1902182652	-3.6100624785	 0.094835
+H	-3.6251840156	 0.9174731439	-1.98594565	 0.101609
+H	-0.7843036531	 0.3394866201	-4.43608206	 0.070503
+H	 1.0530293148	 0.7320029785	-2.8884091762	 0.107584
+H	 0.1070098554	 2.1625626399	-2.4902655095	 0.121592
+19
+0 5365	3.5219931	1.0778518	1.0138838	0.9189	76.7	-0.24102	0.00198	0.24300000000000002	1241.1692	0.158238	-422.547664	-422.539424	-422.53848	-422.581078	30.774
+O	 0.9647497801	-0.8886642308	 0.5144892168	-0.412238
+C	 0.708042955	 0.51094843	 0.6114070105	-0.164248
+C	-0.7493694383	 0.8041267037	 0.8125328193	 0.291889
+C	-1.2921061261	 1.4687041153	 1.8379643804	-0.20227
+C	-2.7901464118	 1.5357132975	 1.7444249042	 0.096893
+O	-3.4736733959	 0.59427517	 2.6187215442	-0.295201
+C	-3.7203917539	-0.3014834214	 1.5130763556	-0.08007
+C	-3.1273191494	 0.6906390026	 0.4873155065	-0.079509
+C	-1.7919941807	 0.3204362535	-0.1802057046	-0.321619
+H	 0.680992918	-1.2872078767	 1.3442422752	 0.284473
+H	 1.3035057813	 0.9764546079	 1.410409856	 0.095162
+H	 1.0539654845	 0.9289521217	-0.3418994553	 0.115
+H	-0.7356111533	 1.898785805	 2.6642499507	 0.095451
+H	-3.2088869631	 2.5416595894	 1.8605464569	 0.076227
+H	-3.1684725198	-1.2464097115	 1.612703341	 0.0933
+H	-4.7884782567	-0.5247996863	 1.4076935699	 0.102563
+H	-3.8608685074	 1.1097242845	-0.2011621396	 0.079815
+H	-1.6922891387	-0.7541284424	-0.3727867322	 0.117728
+H	-1.6643502338	 0.8163178281	-1.1518782953	 0.106653
+19
+0 5366	3.1149247	1.1729503	0.9205846	1.9679	83.43	-0.21982	-0.03333	0.18649	1281.8213	0.157839	-422.550008	-422.541324	-422.54038	-422.583846	32.207
+O	 1.0667290486	 0.2128439595	-0.5532729128	-0.409381
+C	 0.8296292251	 0.300842327	 0.8496003201	-0.159549
+C	-0.6201411024	 0.5526629388	 1.1709818896	 0.247825
+C	-1.0044686542	 1.6365256669	 1.8645173137	-0.163715
+C	-2.3555437487	 1.9901813653	 2.2849229878	-0.067113
+C	-3.5290989558	 1.4808754145	 1.8811894632	-0.087498
+C	-3.7996172911	 0.4700328928	 0.8045440831	-0.135415
+O	-2.7184002599	 0.1195152238	-0.0221411235	-0.235429
+C	-1.6058862794	-0.464201333	 0.6434974088	-0.196118
+H	 0.7196064509	 1.0189215737	-0.9510390058	 0.285075
+H	 1.1531354275	-0.6697918254	 1.2477550873	 0.113095
+H	 1.458258264	 1.0716319709	 1.3198444501	 0.092814
+H	-0.2254754413	 2.3182670793	 2.2025725163	 0.082997
+H	-2.3985458585	 2.7631276601	 3.0495257315	 0.088439
+H	-4.4347856764	 1.8513628328	 2.3595769059	 0.094104
+H	-4.2594074479	-0.4271220732	 1.2610436346	 0.09817
+H	-4.5569934018	 0.8801746281	 0.122624516	 0.122168
+H	-1.9507458466	-1.1159601329	 1.4629174697	 0.102163
+H	-1.107368342	-1.0929746491	-0.0993315458	 0.127366
+19
+0 5367	2.8830555	1.2231211	0.9266502	2.7102	77.91	-0.23953	-0.01823	0.2213	1261.8267	0.155918	-422.590287	-422.580961	-422.580017	-422.62496	33.928
+C	 1.2683401176	-2.2828955541	-1.6400905278	-0.393984
+C	 1.9542127044	-1.1501265568	-0.8552924932	-0.197989
+C	 3.284943721	-1.6291951811	-0.2411404346	 0.395386
+O	 4.179590108	-2.1583355667	-0.8465721941	-0.310832
+C	 3.2643148325	-1.3437285703	 1.2691687019	-0.373234
+C	 1.9154636552	-0.7154304679	 1.4731013294	-0.184073
+C	 1.2069303009	-0.6004751975	 0.3434481391	 0.287428
+C	-0.1479394419	 0.0360003866	 0.239712891	-0.171091
+O	-1.1574346242	-0.850089892	-0.2399662869	-0.405277
+H	 1.015421586	-3.117801425	-0.9777854398	 0.107426
+H	 0.3455933915	-1.9318093876	-2.1039860429	 0.138475
+H	 1.9501053733	-2.6551263593	-2.409342952	 0.133657
+H	 2.1848436304	-0.341797686	-1.5659969973	 0.106893
+H	 3.4164688885	-2.2739734274	 1.8315697106	 0.138402
+H	 4.1013463528	-0.6868200604	 1.5404541026	 0.138719
+H	 1.5730467641	-0.3675100026	 2.442588573	 0.097504
+H	-0.4263691718	 0.4684019419	 1.2128766218	 0.094174
+H	-0.1263726305	 0.8570736785	-0.4873377637	 0.115757
+H	-1.1874348479	-1.6020025724	 0.3610668128	 0.282658
+19
+0 5368	2.7213497	1.3038373	0.9739957	2.3382	78.28	-0.25054	-0.02789	0.22265	1242.1956	0.155854	-422.591215	-422.581988	-422.581044	-422.625476	33.825
+C	 2.1106261339	-0.3490418156	 2.2305502811	-0.376734
+C	 1.6823799383	-0.073124516	 0.7762956635	-0.294622
+C	 2.0042888834	 1.3187143729	 0.3204559384	 0.303121
+C	 1.1407201394	 2.32078386	 0.1101293665	-0.183331
+C	 1.794236141	 3.6100747989	-0.3275903447	-0.369252
+C	 3.2662179839	 3.2793087726	-0.1006002974	 0.362049
+O	 4.1758407381	 4.0345206522	 0.1304657604	-0.31687
+C	 3.4129726111	 1.7521456121	-0.0404853305	-0.037004
+O	 4.4346570694	 1.363662143	 0.8478519907	-0.433669
+H	 1.8803192905	-1.3824535599	 2.5073132737	 0.108954
+H	 3.1815830148	-0.1802785861	 2.3560154018	 0.151095
+H	 1.5798149791	 0.3145751182	 2.9204481594	 0.114474
+H	 2.1828075002	-0.793696456	 0.115650534	 0.107702
+H	 0.6045379487	-0.243659827	 0.6711527296	 0.101234
+H	 0.0658461968	 2.2313270591	 0.2273681268	 0.09884
+H	 1.6196372323	 3.8440540993	-1.3880082701	 0.137054
+H	 1.4971638191	 4.4973818084	 0.2419820006	 0.137511
+H	 3.6489264854	 1.3884304238	-1.0602120082	 0.095705
+H	 5.0101926348	 2.1377929901	 0.9370072644	 0.293742
+19
+0 5369	4.2144418	0.9571507	0.8269583	4.6362	78.77	-0.25007	0.00574	0.25581000000000004	1406.5153	0.156855	-422.601406	-422.59231	-422.591366	-422.636497	32.5
+C	 1.3366441441	-0.9501456541	 0.5066022359	-0.378902
+C	 0.6250422109	 0.3983096379	 0.2942354982	-0.27928
+C	 1.5659573198	 1.5574737499	 0.0888918544	 0.285879
+C	 1.61910536	 2.2851394468	-1.0233433027	-0.173122
+C	 2.5993386762	 3.4078204921	-1.1866988265	-0.402017
+C	 3.1411258808	 3.9707916891	 0.1183071792	 0.410707
+O	 3.6567650289	 5.0522868954	 0.1954677506	-0.326176
+O	 3.0208315899	 3.2171043613	 1.2346241249	-0.2242
+C	 2.5025707614	 1.8808710611	 1.2217252795	-0.144956
+H	 1.9634311184	-0.9427041212	 1.4042151997	 0.122707
+H	 0.6060031236	-1.755764361	 0.6238114048	 0.121922
+H	 1.9766804413	-1.1932386687	-0.3473480089	 0.124133
+H	-0.040585864	 0.3270142577	-0.5723622845	 0.108703
+H	-0.0148619308	 0.6003602396	 1.1648290327	 0.109631
+H	 0.9533464417	 2.0722048246	-1.8557807086	 0.094559
+H	 3.4670012998	 3.088014196	-1.7832639377	 0.147509
+H	 2.1715227019	 4.2530318764	-1.7338917412	 0.14759
+H	 3.3567274261	 1.1885239575	 1.2321069225	 0.126908
+H	 1.9929775601	 1.7653362195	 2.1851593078	 0.128404
+19
+0 5370	3.9046666	0.9583725	0.8247369	2.4328	78.27	-0.23874	-0.01433	0.22441	1382.5313	0.157233	-422.592515	-422.58365	-422.582706	-422.626618	32.738
+O	 0.1110158219	 2.3590550127	-1.0821379227	-0.409382
+C	-0.0035407243	 1.1047227021	-0.4135861832	-0.158755
+C	-0.4459038219	 1.2515168683	 1.020398483	 0.280814
+C	 0.2992919157	 0.8015730377	 2.0330934015	-0.160125
+C	-0.1029607709	 0.8749449972	 3.4821022872	-0.354992
+C	-1.4679894505	 1.5179326391	 3.7177871555	 0.387698
+O	-2.1440310087	 1.2428459469	 4.6804297048	-0.308963
+C	-1.8899481711	 2.5270654814	 2.665353621	-0.30722
+C	-1.7722629794	 1.9395756824	 1.24730632	-0.306477
+H	 0.7792074142	 2.8708398212	-0.6137550418	 0.281378
+H	-0.7547132991	 0.5488665424	-0.9883349444	 0.115557
+H	 0.9362970046	 0.535576527	-0.462506944	 0.092909
+H	 1.2515924804	 0.3179325344	 1.8220667862	 0.086721
+H	-0.1114948688	-0.1167356957	 3.9493521201	 0.137769
+H	 0.6379318194	 1.4568226839	 4.0529255535	 0.135221
+H	-2.90171016	 2.8719170017	 2.8890024655	 0.121009
+H	-1.2102873922	 3.3871760848	 2.7453035727	 0.118308
+H	-2.5893504842	 1.2252108454	 1.0704595405	 0.120944
+H	-1.8967079951	 2.7302843171	 0.5007694745	 0.127587
+19
+0 5371	3.0331003	1.1302507	0.8769593	3.0694	78.46	-0.23661	-0.04239	0.19422	1337.0583	0.156424	-422.596992	-422.587637	-422.586692	-422.631678	33.696
+C	 2.7331818651	 3.5174963638	 0.2179822009	-0.397355
+C	 1.9305088929	 2.4486626702	-0.5271788053	-0.086965
+C	 2.7560622013	 1.406339975	-1.3146865419	-0.286623
+C	 2.2146482941	 0.0742479841	-0.8613919886	-0.153944
+C	 1.2845437756	 0.1739569822	 0.0981753808	 0.154879
+C	 0.5511483886	-0.9258379154	 0.8059764393	-0.168802
+O	 1.066880089	-2.219504261	 0.5409225044	-0.409919
+C	 1.070835098	 1.6042299957	 0.430808564	 0.324388
+O	 0.3561924688	 2.0374857761	 1.3084628047	-0.345263
+H	 2.0643978076	 4.1168163753	 0.8413360484	 0.141099
+H	 3.4824868207	 3.0593222816	 0.8730008095	 0.11642
+H	 3.2539948702	 4.1815703471	-0.4782150657	 0.114431
+H	 1.22722747	 2.9489730575	-1.2053126915	 0.107753
+H	 2.6688820623	 1.5240332922	-2.4013705163	 0.118139
+H	 3.8281355325	 1.4858576001	-1.0894806175	 0.117817
+H	 2.5600762868	-0.8663698856	-1.2771313271	 0.115849
+H	 0.5212430862	-0.7005732161	 1.8827194193	 0.117819
+H	-0.4942612936	-0.943524439	 0.4751743819	 0.136169
+H	 1.942293764	-2.2706080737	 0.9382935806	 0.284108
+19
+0 5372	2.9486588	1.2113133	0.9331085	2.9089	78.94	-0.24425	-0.04984	0.19441	1286.9442	0.156474	-422.599548	-422.590319	-422.589375	-422.634111	33.492
+C	 1.0388188691	-0.6336903481	-0.8218222687	-0.381066
+C	 1.0527180041	 0.0985085849	 0.5314539611	-0.294055
+C	 1.7856861575	 1.4035709696	 0.4756535566	 0.223817
+C	 2.9065342876	 1.785108501	 1.1131913722	-0.169547
+C	 3.3086954835	 3.2181698179	 0.8569249665	-0.291823
+C	 2.3821651251	 3.6401680168	-0.2955558464	 0.061624
+O	 1.8486193656	 4.933444406	-0.1701562105	-0.440063
+C	 1.2847872109	 2.5682113066	-0.2890509626	 0.294173
+O	 0.1908211367	 2.7300318962	-0.7893990834	-0.358944
+H	 0.4780690514	-1.5699079765	-0.7471633417	 0.117288
+H	 0.5658395642	-0.0149978755	-1.5891575175	 0.142722
+H	 2.0551337077	-0.871526845	-1.1515101378	 0.115668
+H	 0.0169245047	 0.2987820537	 0.8324900485	 0.12534
+H	 1.4942927144	-0.540886785	 1.3034338368	 0.102616
+H	 3.4757345483	 1.144741605	 1.7807687419	 0.110985
+H	 3.1092794303	 3.8475350114	 1.7326969199	 0.139317
+H	 4.3738865342	 3.3189192753	 0.625342133	 0.116969
+H	 2.9277364427	 3.5280047255	-1.2498936916	 0.093247
+H	 0.9650000222	 4.8873491401	-0.5637856964	 0.291732
+19
+0 5373	3.5895023	0.8565244	0.7402994	3.09	79.16	-0.24688	-0.02062	0.22626	1513.198	0.156366	-422.578589	-422.569343	-422.568399	-422.613729	32.986
+O	-0.1767836922	 1.3472942665	-1.2638557783	-0.41123
+C	 0.1384453075	 0.2990104858	-0.3495842536	-0.174288
+C	-0.3735650208	 0.5770225592	 1.0307883427	 0.302495
+C	 0.3403976332	 0.647747543	 2.1547251039	-0.174932
+C	-0.4968403587	 0.9953278466	 3.3599203528	-0.286228
+C	-1.9613318183	 0.8656814384	 2.8353893118	-0.056542
+C	-1.8356677147	 0.8854274627	 1.2835155609	-0.326382
+C	-2.8489000794	 1.9713166658	 3.3520838984	 0.155333
+O	-3.8399779474	 1.8229560588	 4.0180722321	-0.250258
+H	 0.2512671826	 2.1468742914	-0.9398166305	 0.282967
+H	-0.3484528164	-0.591760673	-0.7651611349	 0.117057
+H	 1.2196387251	 0.0980583213	-0.3202538362	 0.094737
+H	 1.4141869828	 0.5026335713	 2.2169113859	 0.09526
+H	-0.3196429154	 0.3410587968	 4.2198188116	 0.121414
+H	-0.2751838186	 2.0171040838	 3.7045224359	 0.111012
+H	-2.3887636597	-0.084397907	 3.1638584754	 0.098669
+H	-2.512225946	 0.1640461566	 0.812627375	 0.119042
+H	-2.0971211806	 1.8644037716	 0.858472209	 0.115288
+H	-2.502365243	 2.9930205704	 3.0580692282	 0.066588
+19
+0 5374	4.0709965	1.0148503	0.9061547	2.7405	76.96	-0.23785	0.0052	0.24305000000000002	1326.9432	0.155861	-422.552048	-422.54315	-422.542206	-422.585457	33.343
+C	 0.1812127296	 4.3212626124	 1.0980081786	-0.483538
+C	 0.7217145302	 2.9299094683	 0.9146289095	 0.417202
+C	 1.3293380152	 2.4929298715	-0.4220455179	-0.326721
+C	 1.1243244223	 0.9935959363	-0.4322814413	-0.189126
+C	 0.469727132	 0.55883693	 0.650982361	 0.292781
+C	 0.0757249106	-0.8505745812	 0.9750455251	-0.169073
+O	 0.2412275148	-1.7531690732	-0.1020590562	-0.405389
+C	 0.1933105116	 1.7136576104	 1.5635182087	-0.153263
+O	 1.3979541992	 2.3580742256	 2.0430686848	-0.294171
+H	-0.2555399862	 4.4347610511	 2.0932517662	 0.130233
+H	 0.9803135214	 5.0635799285	 0.9919301485	 0.128603
+H	-0.5851853514	 4.5449631267	 0.3485469056	 0.120768
+H	 0.8275466214	 2.9833833233	-1.2669034048	 0.106736
+H	 2.389817208	 2.766832869	-0.481874097	 0.124747
+H	 1.5125854527	 0.3513206265	-1.2140455382	 0.103883
+H	 0.7015898782	-1.2384255691	 1.7894947964	 0.134459
+H	-0.9604034834	-0.8623450645	 1.3579497714	 0.092844
+H	-0.2794087059	-1.4162784851	-0.8392252639	 0.282183
+H	-0.6372264803	 1.7136234234	 2.2656005434	 0.086842
+19
+0 5375	3.1534015	1.1087313	0.9955596	2.293	77.68	-0.22945	0.0111	0.24054999999999999	1255.2363	0.156625	-422.553805	-422.545026	-422.544082	-422.587136	33.553
+O	 1.1623062702	 0.2643843891	-0.2670487049	-0.41366
+C	 0.6845784771	 0.2986084213	 1.0768627241	-0.172923
+C	-0.7914406603	 0.5442755491	 1.1408919941	 0.306056
+C	-1.417425571	 1.5358860577	 1.7875328475	-0.194902
+C	-2.9165586542	 1.5002895742	 1.5881676669	-0.335444
+C	-3.1351186057	 0.2380885495	 0.7454845706	 0.399267
+O	-4.107715149	 0.274629289	-0.2548931812	-0.46912
+C	-2.7475309829	-1.0861437859	 1.3466299679	-0.342954
+C	-1.7732785899	-0.3383943001	 0.4384014406	-0.180366
+H	 0.9218113121	 1.1035436435	-0.6742725118	 0.282316
+H	 0.9309539388	-0.687608908	 1.4882175168	 0.115244
+H	 1.2194270985	 1.0504012407	 1.6766932506	 0.089761
+H	-0.9248615853	 2.285753802	 2.397856742	 0.090446
+H	-3.468391309	 1.4787307894	 2.5368299048	 0.104524
+H	-3.2725356471	 2.3796942175	 1.0343891533	 0.115289
+H	-4.9594484622	 0.076773389	 0.1493461994	 0.281698
+H	-2.5209629771	-1.156246918	 2.4063393941	 0.10769
+H	-3.2291660564	-1.9566397732	 0.9130225763	 0.111669
+H	-1.5337309766	-0.7680627769	-0.5265153009	 0.105408
+19
+0 5376	3.7666313	0.9759006	0.8600344	2.3572	77.99	-0.24529	0.01274	0.25803	1366.7861	0.156557	-422.547222	-422.538496	-422.537552	-422.581252	32.471
+O	 1.3370834298	 0.0261072569	-0.2576395464	-0.412862
+C	 0.6885670275	-0.0316977643	 1.0123232805	-0.173803
+C	-0.7176062248	 0.4805927229	 0.9563387201	 0.297197
+C	-1.2286466051	 1.4883574063	 1.6695637543	-0.180748
+C	-2.6754157647	 1.7617186499	 1.34867874	-0.338796
+C	-3.0347601781	 0.6147124635	 0.3949808096	 0.425596
+C	-4.2629247937	 0.5765070877	-0.4022859823	-0.247863
+O	-4.1363026706	-0.2155135729	 0.7821579112	-0.266515
+C	-1.7388641587	-0.1014015438	 0.0027000403	-0.379023
+H	 1.3477299862	 0.9502745878	-0.5285254525	 0.281376
+H	 0.6987291607	-1.0941465576	 1.284562864	 0.116634
+H	 1.2584860162	 0.5104126657	 1.7817771954	 0.092081
+H	-0.6745871661	 2.0641650166	 2.4039311407	 0.09152
+H	-3.3304175559	 1.740424148	 2.2274050336	 0.126253
+H	-2.8070751016	 2.7463927543	 0.8790193633	 0.111149
+H	-4.9751511431	 1.3996310107	-0.3416661519	 0.108131
+H	-4.284222929	 0.0192869545	-1.3389262127	 0.110076
+H	-1.856374413	-1.1862883866	 0.1101624906	 0.123706
+H	-1.4567749363	 0.0822050001	-1.0413046579	 0.11589
+19
+0 5377	2.3034593	1.3924348	0.9519157	2.4328	77.36	-0.22962	0.01398	0.24359999999999998	1244.2483	0.156785	-422.550933	-422.54206	-422.541116	-422.584515	33.292
+O	 1.7999770419	 0.256630985	-0.0780584671	-0.417574
+C	 0.4243636539	 0.6186850749	 0.0088154386	-0.18028
+C	-0.3362601192	 0.3187988838	-1.2475265515	 0.324489
+C	-1.3546040634	-0.5347545441	-1.4019680234	-0.19251
+C	-1.8854665591	-0.5687230382	-2.8199517166	-0.277527
+C	-0.925668793	 0.3478938263	-3.5776871854	-0.105634
+C	 0.5394509655	-0.0020296576	-3.6057703459	 0.097677
+O	 1.3339614643	 0.572590313	-4.6016650491	-0.432125
+C	 0.0328550647	 0.9525803111	-2.5520499671	-0.183472
+H	 2.1679669399	 0.6904233714	-0.8551167678	 0.290255
+H	 0.0147405472	 0.0491265691	 0.8481093451	 0.113133
+H	 0.3213925803	 1.6888898465	 0.2585570762	 0.090025
+H	-1.7634471104	-1.1557285091	-0.6120998515	 0.09289
+H	-1.9004439018	-1.5878525604	-3.2291349734	 0.108449
+H	-2.9201219981	-0.2028059142	-2.8724753938	 0.108966
+H	-1.2875838651	 0.9560249199	-4.3985634483	 0.089321
+H	 0.8493384683	-0.9933560729	-3.2712649661	 0.092801
+H	 1.1172458459	 0.1483160449	-5.4388852729	 0.286712
+H	 0.3621895681	 1.9855269105	-2.6077306402	 0.094404
+19
+0 5378	2.6054914	1.4653924	1.0869406	2.4784	77.01	-0.24203	-0.00154	0.24048999999999998	1149.5434	0.156155	-422.55256	-422.543701	-422.542757	-422.585987	33.245
+C	 2.6875957294	-0.3289924656	-0.8330198029	-0.482752
+C	 2.2782023196	-0.7233885436	 0.5576198095	 0.311758
+O	 2.5901087044	-2.0882744196	 0.948464599	-0.299605
+C	 3.1911892557	-1.016454266	 1.6796962623	-0.019134
+C	 2.4850823426	-0.6849770076	 2.9883372862	-0.292161
+C	 1.1075923659	-0.2633422152	 2.5236093921	-0.188112
+C	 0.9878070053	-0.2591962043	 1.1908055099	 0.269075
+C	-0.2281426593	 0.1264172045	 0.4052740679	-0.189495
+O	-0.0166520753	 1.3004703218	-0.381347708	-0.410849
+H	 3.6878655955	-0.7097455227	-1.0535138836	 0.122541
+H	 1.994469028	-0.7414803575	-1.5735479859	 0.13151
+H	 2.6763192046	 0.757647593	-0.9500809674	 0.126698
+H	 4.2732173748	-0.9452935253	 1.5974120521	 0.090452
+H	 2.4495488709	-1.550051545	 3.6617679582	 0.126244
+H	 3.0008525561	 0.1192413841	 3.5292649256	 0.111143
+H	 0.3021712737	-0.0390965634	 3.2160500109	 0.096585
+H	-0.4914548046	-0.6553743771	-0.3159952377	 0.1204
+H	-1.085132882	 0.2503698203	 1.0837470372	 0.095537
+H	 0.2398696747	 2.0023221993	 0.2264684146	 0.280165
+19
+0 5379	2.6416156	1.4875147	1.11267	2.0458	76.97	-0.23401	0.01094	0.24495	1128.6309	0.157545	-422.55407	-422.545644	-422.5447	-422.586728	32.829
+O	 1.0033955015	-0.2276563944	-0.0467990144	-0.427153
+C	 0.0008384732	 0.7821871176	-0.0240831482	-0.183543
+C	-1.297754856	 0.3286094013	-0.6289996087	 0.228129
+C	-2.0361593572	 0.9371905798	-1.56165694	-0.186593
+C	-3.3190928628	 0.1936283492	-1.8769111883	-0.275927
+C	-3.2912066491	-0.9937482961	-0.9184560871	-0.117895
+C	-3.2796635089	-0.7254433972	 0.5770949578	-0.309223
+C	-1.9830572944	-0.9213662504	-0.1507110693	 0.316739
+O	-1.2079098956	-2.0398121586	 0.1974741964	-0.466932
+H	 0.6336713877	-0.9809623099	 0.4305962928	 0.285493
+H	-0.1782442675	 1.1247436177	 1.0098198212	 0.095349
+H	 0.4004979203	 1.634352058	-0.5822495149	 0.11117
+H	-1.7895201087	 1.8883846505	-2.0219027094	 0.093786
+H	-4.2017430357	 0.8286451029	-1.7235040725	 0.113707
+H	-3.3528914117	-0.1274597922	-2.9267149312	 0.109599
+H	-3.682689673	-1.9525067145	-1.2374093146	 0.091349
+H	-3.5254919529	 0.2631644958	 0.9521257716	 0.113639
+H	-3.6058504645	-1.5513602088	 1.2004859956	 0.12036
+H	-0.8029986948	-2.3722308406	-0.6132357869	 0.287947
+19
+0 5380	3.1991298	1.2921946	1.1248628	2.3038	76.52	-0.2358	0.00007	0.23587	1141.4668	0.158599	-422.544584	-422.536702	-422.535758	-422.577054	30.621
+O	 1.1094891556	-0.1465140728	-0.0514587718	-0.411164
+C	 0.0426503486	 0.7838177828	 0.117547536	-0.183328
+C	-1.2158971105	 0.3219474609	-0.5521265347	 0.320921
+C	-1.8876514424	 1.0067777976	-1.4816789331	-0.17931
+C	-3.146030432	 0.407840251	-2.0746104187	-0.259667
+C	-3.4030634262	-0.9573713157	-1.4175055383	 0.090623
+C	-3.300941382	-0.890238403	 0.1230498642	-0.24422
+C	-1.7968727144	-1.0408354447	-0.2029382777	-0.010015
+O	-2.1609312655	-1.7191534778	-1.4464706802	-0.297704
+H	 1.205885266	-0.2991909309	-0.9978443376	 0.285823
+H	-0.0957590475	 0.85654161	 1.2038922211	 0.112732
+H	 0.315086303	 1.7874556118	-0.2437687541	 0.091222
+H	-1.5533670887	 1.9816746786	-1.8289216766	 0.088449
+H	-4.0069650167	 1.0739636723	-1.9255119116	 0.107438
+H	-3.035457548	 0.2836971323	-3.159985589	 0.116313
+H	-4.2344771989	-1.5012995717	-1.8735056359	 0.075668
+H	-3.633420275	 0.0108334629	 0.6421717566	 0.098712
+H	-3.7144745368	-1.7862190879	 0.5888752088	 0.108671
+H	-1.1455696286	-1.6473661755	 0.4274954524	 0.088839
+19
+0 5381	3.4765902	1.1147707	0.9422125	2.3975	77.29	-0.24505	0.01528	0.26033	1265.0165	0.157898	-422.5551	-422.546763	-422.545818	-422.588342	31.504
+O	 1.8299706867	 0.5687824921	 0.0105940499	-0.412738
+C	 0.4338948916	 0.8539175859	 0.094560651	-0.158735
+C	-0.3129718302	 0.4481364482	-1.149602924	 0.287216
+C	-1.31703264	-0.4292333877	-1.0996158361	-0.158096
+C	-2.1147711722	-0.9053380778	-2.281693826	-0.289498
+C	-1.8378443472	-0.1359488013	-3.5522867402	 0.050472
+O	-2.0811597104	 1.2729127139	-3.503232805	-0.259978
+C	-0.7267895357	 0.8234011199	-3.6244277104	 0.048618
+C	 0.1706069572	 1.0730251412	-2.436303335	-0.3184
+H	 1.9165942295	-0.3840565945	-0.1008812362	 0.280206
+H	-0.0197568408	 0.3819643116	 0.9785138288	 0.089945
+H	 0.3786928894	 1.9405750599	 0.2353280996	 0.113888
+H	-1.6014503661	-0.8471855898	-0.1355470415	 0.08183
+H	-1.9078944764	-1.9704456604	-2.4653527664	 0.112403
+H	-3.1891170273	-0.8536918957	-2.0554980034	 0.121549
+H	-2.1769338663	-0.612261507	-4.4730574892	 0.086805
+H	-0.2806171305	 1.0290233599	-4.5982704626	 0.087284
+H	 1.1793959538	 0.704972926	-2.6651892414	 0.119023
+H	 0.2886226447	 2.1574366356	-2.296635522	 0.118205
+19
+0 5382	2.7420164	1.5564568	1.1151599	3.449	76.63	-0.24427	0.00338	0.24764999999999998	1108.2764	0.158563	-422.548428	-422.54033	-422.539386	-422.581391	30.536
+O	 1.238828681	 1.5710628549	-0.12755634	-0.431415
+C	 0.547919592	 0.3313028076	-0.0553018478	-0.143543
+C	-0.3653442388	 0.1331008874	-1.226322891	 0.275931
+C	-1.6140236603	-0.3420054082	-1.244868689	-0.184447
+C	-2.2407437206	-0.3448689603	-2.6216374229	-0.279972
+C	-1.2189315155	 0.4389317955	-3.4657028433	-0.075146
+C	-1.2714756315	 1.9827484188	-3.3913026606	-0.083716
+O	 0.0071276375	 2.0542541876	-2.7123698139	-0.299376
+C	 0.0535395691	 0.5977318317	-2.5997738753	 0.029112
+H	 0.7309535139	 2.1607653655	-0.6996754847	 0.295122
+H	 1.3172831522	-0.454994638	-0.0357874087	 0.106729
+H	-0.0200483313	 0.2422348692	 0.8841287441	 0.091301
+H	-2.1486694479	-0.6931352903	-0.3673391775	 0.09724
+H	-2.3852838377	-1.3655022296	-2.9996466167	 0.112204
+H	-3.2332728674	 0.1242673982	-2.6247903988	 0.109061
+H	-1.0805007501	 0.0478426882	-4.4732975809	 0.082906
+H	-1.2423750833	 2.5190654747	-4.3456055001	 0.109449
+H	-2.0874848113	 2.3836164907	-2.7765026911	 0.102876
+H	 1.0208187999	 0.2169454864	-2.9428606519	 0.085685
+19
+0 5383	3.0028993	1.2754234	1.0274543	1.791	77.14	-0.24346	0.00946	0.25292000000000003	1190.9422	0.158248	-422.549254	-422.541061	-422.540117	-422.582378	30.747
+O	 1.8181960049	 0.5228783118	-0.1699739075	-0.41284
+C	 0.4172430036	 0.7045310542	 0.032229948	-0.176702
+C	-0.3751422341	 0.4086322223	-1.2051553722	 0.293422
+C	-1.3553201109	-0.4920360087	-1.3321452815	-0.174973
+C	-1.9314799109	-0.5616536625	-2.7267256611	-0.274315
+C	-1.21166517	 0.5847124445	-3.4548285728	 0.118924
+O	-1.9362945187	 1.8357516919	-3.3879310181	-0.292506
+C	-0.8646812362	 2.4795514646	-2.6679478123	-0.077177
+C	-0.1167464605	 1.1349276974	-2.5028371843	-0.167625
+H	 1.9504253031	-0.3958083224	-0.4271623979	 0.281734
+H	 0.0483602193	 0.0985902219	 0.8730486597	 0.093634
+H	 0.3093734704	 1.7579155834	 0.3184086261	 0.115253
+H	-1.7130352676	-1.121565049	-0.5227548005	 0.090641
+H	-1.7457502349	-1.5375176237	-3.1956966372	 0.102964
+H	-3.0152838975	-0.3966651166	-2.7524799125	 0.123713
+H	-0.9284774305	 0.347471896	-4.4861665906	 0.07077
+H	-0.3412044734	 3.2168874962	-3.290870947	 0.097425
+H	-1.2169972977	 2.9677206934	-1.7512489188	 0.100724
+H	 0.9302540915	 1.1255636653	-2.8099378993	 0.086931
+19
+0 5384	2.9098166	1.1257156	0.8629486	4.4834	78.69	-0.25067	0.00663	0.25730000000000003	1356.3566	0.156797	-422.602197	-422.593095	-422.592151	-422.637337	32.496
+C	 2.3568044874	-0.0553115902	-2.9248791183	-0.377915
+C	 1.8951080852	 0.1715786223	-1.4745661379	-0.275762
+C	 2.1952902729	 1.5529495538	-0.9530473904	 0.312375
+C	 1.2543178928	 2.4221142937	-0.5949695533	-0.188683
+C	 1.5697202714	 3.7886498933	-0.0778563463	-0.112161
+O	 2.9075275371	 3.9641535949	 0.4064571038	-0.224557
+C	 3.9267588007	 3.1448431893	 0.0684553862	 0.41643
+O	 5.0254825552	 3.3705584538	 0.4975134308	-0.327615
+C	 3.6408130464	 1.9666019628	-0.8513691154	-0.451885
+H	 2.1051952639	-1.067852071	-3.2536076889	 0.120838
+H	 1.8723365285	 0.6525024426	-3.6049661504	 0.122166
+H	 3.4394817225	 0.0653683747	-3.0293818484	 0.124584
+H	 0.8182482064	-0.0140888988	-1.4005193623	 0.105167
+H	 2.3865083844	-0.5694529702	-0.8283175731	 0.109795
+H	 0.1989222415	 2.1751475555	-0.6719022576	 0.095744
+H	 1.3904375312	 4.5538705962	-0.8480293539	 0.126222
+H	 0.9215189849	 4.0399617651	 0.7693309216	 0.132083
+H	 4.0369345371	 2.2369812017	-1.8407759589	 0.149717
+H	 4.2755108405	 1.1444957704	-0.5041946175	 0.143457
+19
+0 5385	2.6912228	1.16034	0.8772052	3.3407	78.29	-0.2373	-0.01351	0.22379000000000002	1325.7162	0.157187	-422.592285	-422.583394	-422.58245	-422.626466	32.75
+O	-2.5206877125	 4.0254869316	 0.4994852274	-0.409453
+C	-1.4053343713	 3.1402152002	 0.5542022039	-0.149653
+C	-1.1730897777	 2.4194533619	-0.7502973867	 0.26764
+C	-0.0229724237	 2.5309042234	-1.4197766675	-0.157967
+C	 0.2686443768	 1.8400027314	-2.7249286218	-0.261087
+C	-0.6829380968	 0.6546129494	-2.9793448854	-0.302958
+C	-2.1207545625	 1.0275649333	-2.6631413731	 0.38203
+O	-3.0297134872	 0.8692990711	-3.4432968994	-0.307586
+C	-2.3382526476	 1.6070756279	-1.2711011962	-0.389472
+H	-2.3328743442	 4.6797337808	-0.182205715	 0.283297
+H	-0.4884047022	 3.6646505037	 0.861235729	 0.092216
+H	-1.6558164924	 2.4233595444	 1.3463297442	 0.112584
+H	 0.7664774123	 3.1595869795	-1.0120283874	 0.085581
+H	 0.1908811195	 2.563077335	-3.5498183827	 0.124529
+H	 1.3073671965	 1.4899115987	-2.7410433254	 0.114076
+H	-0.6255100652	 0.2917764036	-4.007576977	 0.119925
+H	-0.4023215632	-0.1683633161	-2.3076587026	 0.120877
+H	-3.2549918774	 2.2041288749	-1.2745582641	 0.144157
+H	-2.5385273711	 0.7659912854	-0.58744987	 0.131264
+19
+0 5386	2.2944403	1.6039234	1.0774581	1.2673	78.47	-0.23675	0.00742	0.24417	1152.7499	0.156871	-422.54784	-422.539031	-422.538087	-422.581746	32.526
+O	 1.1908772117	 0.0551218893	-0.2769611512	-0.414684
+C	 0.0510567821	 0.8278374702	 0.1102909138	-0.214944
+C	-1.1569820602	 0.3247986645	-0.6131545627	 0.297
+C	-1.8832933141	 0.9800149399	-1.521178582	-0.184912
+C	-3.0721858868	 0.1904037584	-2.0120034717	-0.267393
+C	-3.0987805244	-1.0493669313	-1.0796842399	-0.316003
+C	-1.7591900223	-1.0162109799	-0.3372888604	 0.366543
+C	-0.9743198153	-2.2123170604	 0.0075986026	-0.245646
+O	-1.7163184969	-1.5075790634	 1.0118128453	-0.291276
+H	 1.8969599124	 0.2450916199	 0.3484626891	 0.288693
+H	-0.1247438742	 0.733220705	 1.1920073769	 0.111527
+H	 0.2017365086	 1.8927829518	-0.1199414224	 0.092311
+H	-1.6490775202	 1.9713492255	-1.8954225082	 0.095263
+H	-4.0010768467	 0.770594335	-1.9698028662	 0.109224
+H	-2.9400521739	-0.0948243571	-3.063947948	 0.114338
+H	-3.9014950032	-0.9640656598	-0.3410118026	 0.1228
+H	-3.253251062	-1.9844285221	-1.6230824482	 0.106302
+H	-1.3696393053	-3.1941973112	-0.2540507386	 0.104168
+H	 0.1070514405	-2.1359930842	 0.0840172042	 0.126691
+19
+0 5387	2.297028	1.612605	1.0933518	1.9183	79.22	-0.21101	0.0058	0.21681	1140.9134	0.156533	-422.538425	-422.529691	-422.528746	-422.572129	32.693
+O	 1.5342001587	 0.9938302051	 0.2940764791	-0.403713
+C	 0.710032958	 0.010638536	 0.918302653	-0.18448
+C	-0.7432076175	 0.375753133	 0.9213344726	 0.230624
+C	-1.7385529221	-0.2903416234	 0.3341950665	-0.231865
+C	-3.0455844234	 0.4025867809	 0.5920035628	-0.130826
+O	-2.704945568	 1.5632045928	 1.3467050046	-0.312614
+C	-1.312236944	 1.5677154486	 1.6056417154	 0.383757
+C	-0.8616486227	 2.0679401931	 2.9561415649	-0.331707
+C	-0.6394794372	 2.909502735	 1.7136548007	-0.33082
+H	 1.1810363931	 1.1425835879	-0.5898007147	 0.284899
+H	 0.8372333913	-0.9739964233	 0.4453190997	 0.099039
+H	 1.0906870576	-0.0698324394	 1.9429723656	 0.121143
+H	-1.6503076842	-1.2086236841	-0.2333949173	 0.102696
+H	-3.559727103	 0.7024200546	-0.3346197384	 0.10725
+H	-3.74858468	-0.2272726996	 1.1615599436	 0.106704
+H	-1.6527215296	 2.3723703421	 3.6320874972	 0.123834
+H	-0.0039873309	 1.606335549	 3.4340536861	 0.113453
+H	-1.2806657561	 3.7735733427	 1.5788156397	 0.120378
+H	 0.36850908	 3.0004277491	 1.327605019	 0.132247
+19
+0 5388	2.0831319	1.5589583	0.9881188	2.9332	78.53	-0.23276	-0.03333	0.19943	1224.279	0.155225	-422.568858	-422.559394	-422.55845	-422.604246	33.066
+C	 1.0604837704	-0.8504440795	 0.6791104632	-0.381625
+C	 0.8843352175	 0.2361790828	-0.3993068042	-0.291951
+C	 1.7527804633	 1.4457805471	-0.1961806583	 0.286604
+C	 2.9789094475	 1.6833933382	-0.658735103	-0.203896
+C	 3.4602145574	 3.0393401531	-0.2388969724	-0.11606
+O	 2.3951364685	 3.5766238996	 0.5504102595	-0.276617
+C	 1.3070020196	 2.6689947009	 0.5928663041	-0.045
+C	 0.9897582794	 2.3365952238	 2.0497592701	 0.139969
+O	-0.0813726001	 1.9466464233	 2.434850574	-0.245462
+H	 0.7762893191	-0.4826916178	 1.6675524442	 0.143267
+H	 0.4306205771	-1.715445823	 0.450151499	 0.117225
+H	 2.1002753549	-1.1884275428	 0.7237569139	 0.117123
+H	 1.1094245012	-0.1960825707	-1.3804872424	 0.110761
+H	-0.1667963349	 0.5458406737	-0.4246018849	 0.119021
+H	 3.5610712878	 1.0204745543	-1.2876094679	 0.106872
+H	 4.3810997339	 3.0066711606	 0.3622070523	 0.112045
+H	 3.6574354705	 3.699515467	-1.0980747408	 0.11043
+H	 0.4010455654	 3.1155795813	 0.1523082126	 0.107405
+H	 1.8603283116	 2.477464288	 2.7290328911	 0.089887
+19
+0 5389	2.0876001	1.529293	1.0250484	2.615	78.22	-0.23273	-0.02207	0.21066	1206.0662	0.156651	-422.579103	-422.569895	-422.568951	-422.614403	32.78
+O	-1.6139028741	 1.5779044628	-0.8922387864	-0.406717
+C	-0.3650321536	 1.1209325972	-0.3697099618	-0.181842
+C	-0.4225264743	 0.8133313393	 1.0952949316	 0.27842
+C	 0.2688757931	 1.420419443	 2.0628621274	-0.158492
+C	-0.0254618195	 0.8742287386	 3.4352938254	-0.251487
+C	-0.8625189437	-0.3990737093	 3.1422848741	-0.229699
+C	-1.3474657426	-0.2578978709	 1.6800514181	-0.175732
+C	-2.8065512549	 0.180926905	 1.5660473013	 0.134726
+O	-3.487091696	 0.5187294093	 2.5023801165	-0.24877
+H	-1.835742038	 2.3943278548	-0.4310663039	 0.285797
+H	-0.1365949083	 0.2153108265	-0.9444784399	 0.115822
+H	 0.4382341677	 1.8455903458	-0.5663205828	 0.098873
+H	 0.9710632399	 2.2305728967	 1.8903344218	 0.093818
+H	 0.8865712863	 0.6532999143	 4.0012191385	 0.106536
+H	-0.5868891584	 1.6057427204	 4.0314042389	 0.122087
+H	-0.2323636796	-1.2878279501	 3.2322883133	 0.101854
+H	-1.7058290667	-0.5084686176	 3.8255700604	 0.125815
+H	-1.2616616555	-1.1915890769	 1.1051207945	 0.087485
+H	-3.2050672617	 0.187810881	 0.5317193732	 0.101506
+19
+0 5390	2.8447495	1.3738466	1.022653	2.9552	77.09	-0.24313	-0.00338	0.23975000000000002	1184.9178	0.157795	-422.548174	-422.53965	-422.538706	-422.58174	31.746
+O	 1.2877606188	 1.5661096087	 0.0080464856	-0.411854
+C	 0.7335200751	 0.2608792482	-0.0955970009	-0.153094
+C	-0.2411293196	 0.1456865415	-1.2365771898	 0.27154
+C	-1.4636515212	-0.3772389093	-1.1083878893	-0.163941
+C	-2.4412134078	-0.5052975004	-2.2497601394	-0.263541
+C	-2.252280717	 0.5741319075	-3.3344694595	-0.235966
+C	-0.78792645	 0.8888320469	-3.6133458026	 0.037381
+O	-0.2330307673	 2.003864882	-2.9015494967	-0.262507
+C	 0.209154766	 0.6746865447	-2.5562388828	-0.035224
+H	 0.5648213433	 2.196765116	-0.0798457354	 0.290347
+H	 1.5947044347	-0.4013155887	-0.2564205361	 0.111459
+H	 0.2512335829	-0.0571189817	 0.8418809694	 0.089047
+H	-1.7792087267	-0.7597539802	-0.1393952885	 0.090185
+H	-2.3377113526	-1.5070823877	-2.6928275207	 0.117896
+H	-3.4664346283	-0.4634370992	-1.8664189644	 0.10969
+H	-2.7504935423	 0.2639363734	-4.2583488589	 0.100435
+H	-2.72971665	 1.5048544897	-3.010489344	 0.121854
+H	-0.4623721425	 0.8325220244	-4.6515271695	 0.092128
+H	 1.2472331647	 0.4798987341	-2.8243445165	 0.094166
+19
+0 5391	3.0480022	1.2479534	0.9496981	1.8817	77.48	-0.23216	0.01351	0.24567	1236.1916	0.157626	-422.537055	-422.528662	-422.527718	-422.5701	31.837
+O	 1.615127303	 0.8396966939	 0.816340233	-0.406098
+C	 0.6020717501	-0.1223699259	 0.6006493541	-0.14507
+C	-0.8052142434	 0.3975629318	 0.7685583197	 0.24203
+C	-1.091548448	 1.6121485312	 1.2387809462	-0.179695
+C	-2.5201780845	 2.0620586187	 1.4084962456	-0.122792
+O	-3.4156251062	 0.9876006323	 1.6747770058	-0.258793
+C	-3.2985075535	-0.1037232144	 0.8092471496	 0.101073
+C	-2.6750853931	-1.3498870488	 1.3740325058	-0.306862
+C	-1.9203277047	-0.4985003524	 0.3580832804	-0.155687
+H	 1.4934252191	 1.5368403505	 0.1630142972	 0.28295
+H	 0.6964803725	-0.5899197752	-0.3951606653	 0.09104
+H	 0.7881047016	-0.923674985	 1.3275103359	 0.128348
+H	-0.3010668431	 2.2934184889	 1.5366250996	 0.095424
+H	-2.6112747552	 2.7332015854	 2.2683242619	 0.117309
+H	-2.8525775302	 2.6304077794	 0.5220220929	 0.098426
+H	-4.1280451658	-0.2013643732	 0.1109297191	 0.088468
+H	-2.3540113747	-1.2907126889	 2.4077167789	 0.126006
+H	-3.049659911	-2.3164251456	 1.0545148833	 0.111256
+H	-1.8315435928	-0.9244851927	-0.6386010536	 0.092669
+19
+0 5392	2.6314528	1.3785504	1.0296667	4.3794	78.93	-0.26214	-0.03964	0.22249999999999998	1213.2565	0.157743	-422.607297	-422.598576	-422.597632	-422.640914	32.114
+C	 1.3321320838	-0.6982564911	 0.6786195326	-0.379232
+C	 0.9266696461	 0.3208349064	-0.3995655034	-0.272247
+C	 1.6110472621	 1.6530796787	-0.237622155	 0.16156
+C	 0.9798753749	 2.7919237041	 0.0745299989	-0.162967
+C	 1.7253045444	 4.085030075	 0.2339155197	-0.274412
+C	 3.1650864513	 3.7782573369	 0.6172079878	-0.078195
+O	 3.7616551664	 2.8188870563	-0.2660661512	-0.230481
+C	 3.0703415236	 1.6871682655	-0.5600556522	 0.390321
+O	 3.6394733707	 0.7831268777	-1.1189041339	-0.338437
+H	 0.8128643024	-1.6485519115	 0.5225699206	 0.115053
+H	 2.407298033	-0.8891355571	 0.640265728	 0.143972
+H	 1.0799341215	-0.3344110903	 1.6801036069	 0.109804
+H	 1.1827494825	-0.0870327254	-1.3829918531	 0.128343
+H	-0.1576009126	 0.4755610489	-0.3776968475	 0.094811
+H	-0.1003656313	 2.7968125145	 0.2017018113	 0.103051
+H	 1.6852185395	 4.6681889732	-0.6971139869	 0.131154
+H	 1.2675913486	 4.70862366	 1.0101559601	 0.119037
+H	 3.8065868611	 4.660212573	 0.5620607555	 0.124157
+H	 3.202709152	 3.3856481851	 1.641963612	 0.11471
+19
+0 5393	2.796721	1.3092262	0.9683274	2.9617	79.42	-0.23417	-0.05372	0.18045	1245.9	0.156837	-422.580841	-422.571944	-422.571	-422.614737	32.46
+C	 1.9771722648	-0.4736940804	 1.7526925213	-0.377482
+C	 1.8521502558	-0.1284377656	 0.2585513989	-0.277267
+C	 2.1117929922	 1.3267291354	-0.0398079379	 0.203781
+C	 3.2416879038	 1.7938538006	-0.5931856931	-0.162509
+C	 3.46243591	 3.2428047418	-0.9154373331	-0.12703
+O	 2.2634072522	 3.9808599225	-0.9958437493	-0.239391
+C	 1.4223817133	 3.78204488	 0.121173698	-0.186044
+C	 1.0755715909	 2.3129664517	 0.3583350932	 0.310101
+O	 0.0347987012	 1.9966172204	 0.9000087031	-0.322057
+H	 1.7796824321	-1.5372704353	 1.917565828	 0.114749
+H	 2.9838742308	-0.2551896613	 2.1238711679	 0.109906
+H	 1.2591824144	 0.1011348317	 2.3418458064	 0.144087
+H	 2.5471092759	-0.7422073286	-0.3246929022	 0.097124
+H	 0.8388957329	-0.3757400974	-0.0761798018	 0.123567
+H	 4.0596599009	 1.1154254532	-0.8309782345	 0.105817
+H	 4.1504007878	 3.6866507577	-0.1686964924	 0.106599
+H	 3.9517314911	 3.343689685	-1.8905041626	 0.128079
+H	 1.8834968592	 4.175288087	 1.0465995105	 0.109174
+H	 0.5010882506	 4.3402904416	-0.0570277402	 0.138796
+19
+0 5394	2.7790871	1.3227891	0.9730027	4.2163	79.27	-0.24416	-0.05548	0.18868	1230.1782	0.158339	-422.59852	-422.590041	-422.589096	-422.631742	31.931
+O	 0.0449860113	-0.1796392202	 0.8072930196	-0.421759
+C	 0.1932191991	-0.4007941213	-0.5820760537	-0.16584
+C	-0.5818651906	 0.5983558557	-1.4160771615	 0.208303
+C	-0.0207667772	 1.3655070907	-2.3639248138	-0.143514
+C	-0.7630010463	 2.3653564969	-3.2045199049	-0.25187
+C	-2.1073933276	 2.758438606	-2.581063829	-0.223213
+C	-2.872878793	 1.5159383585	-2.1115883403	-0.301549
+C	-2.0433017221	 0.6681059581	-1.1611610173	 0.339619
+O	-2.5580978968	 0.0407367383	-0.2481723712	-0.350762
+H	-0.9031564546	-0.2726593005	 0.974337396	 0.296163
+H	 1.2614062782	-0.3213345594	-0.8085893464	 0.104778
+H	-0.1260337548	-1.4200202256	-0.856296951	 0.096336
+H	 1.0469448473	 1.2635404241	-2.5551516771	 0.102643
+H	-0.135084769	 3.2500554559	-3.3620641776	 0.117121
+H	-0.918179017	 1.9366170666	-4.2074433459	 0.121859
+H	-1.9231072343	 3.413043908	-1.7205727815	 0.11664
+H	-2.7087044744	 3.3317171587	-3.2933299421	 0.105778
+H	-3.815327702	 1.7641663328	-1.6172736231	 0.124854
+H	-3.1206615062	 0.8833357366	-2.9769656894	 0.124413
+19
+0 5395	3.3229343	1.0960904	0.8786354	1.5667	82.03	-0.22207	-0.02931	0.19276	1323.2986	0.157774	-422.548785	-422.540106	-422.539162	-422.582473	32.278
+O	 0.9741413073	 0.3811084042	-0.291752771	-0.407747
+C	 0.6304974728	 0.0309429066	 1.0452251947	-0.158787
+C	-0.8638278831	-0.1257985201	 1.2411546586	 0.259239
+C	-1.4977660461	 0.6110967794	 2.1660764769	-0.184041
+C	-2.9696401062	 0.5211106428	 2.4640113797	-0.147028
+O	-3.4278496055	-0.8147618108	 2.6340451704	-0.234632
+C	-3.7942399199	-1.4741408495	 1.4477617895	-0.138947
+C	-2.7407934685	-1.6058274927	 0.3861348027	-0.07957
+C	-1.5141578776	-1.0699452689	 0.3257807599	-0.119727
+H	 0.5122994854	 1.2005675448	-0.4994753764	 0.282252
+H	 1.1413703693	-0.9219987627	 1.2265761726	 0.118445
+H	 1.0264788999	 0.7596733124	 1.767350439	 0.091835
+H	-0.9187530915	 1.3064982418	 2.7701532394	 0.085235
+H	-3.1903609334	 1.0366452673	 3.4040451166	 0.112868
+H	-3.5528075275	 1.0225391244	 1.6734488329	 0.103039
+H	-4.0992009203	-2.4805182883	 1.7653856958	 0.123066
+H	-4.6950674633	-1.0136559676	 0.9987460164	 0.096806
+H	-3.0441831407	-2.2612029889	-0.4298588044	 0.094328
+H	-0.8990362411	-1.3361359242	-0.5303666234	 0.103368
+19
+0 5396	2.4197434	1.3868279	1.0609104	4.0376	76.17	-0.24544	-0.01993	0.22551	1190.8813	0.15595	-422.549766	-422.540719	-422.539775	-422.583463	33.639
+C	-3.4383360385	 0.538065839	 0.7025242139	-0.497464
+C	-2.1739676962	 0.2753057094	-0.0629950879	 0.325904
+C	-1.691641451	 1.1257087021	-1.1855694622	-0.3305
+C	-0.8052414067	 1.0151070079	 0.0569093976	-0.226747
+C	-0.1167802423	-0.3102578738	 0.0070515966	 0.425505
+O	 1.0247046407	-0.6841753835	 0.0899437202	-0.342931
+C	-1.4465065149	-1.0902739965	-0.090296604	-0.195766
+C	-1.5736669818	-2.105665676	-1.2237234684	-0.087199
+O	-0.6134424429	-3.1340932447	-1.0618136222	-0.422587
+H	-3.3756236073	 0.1420524863	 1.7217853038	 0.127401
+H	-3.6457876562	 1.610917558	 0.7670052708	 0.124942
+H	-4.2985046477	 0.0651436552	 0.2146328182	 0.131529
+H	-1.363240071	 0.7058146804	-2.1309325074	 0.127644
+H	-2.1717470495	 2.0950668047	-1.2827323197	 0.126612
+H	-0.5168787178	 1.8944370855	 0.6197271693	 0.11191
+H	-1.5826807797	-1.6140098626	 0.8650207915	 0.109396
+H	-2.5574559241	-2.5881940943	-1.2122720054	 0.108226
+H	-1.4688762678	-1.6084004602	-2.2012374796	 0.086399
+H	 0.2357762245	-2.7096085172	-0.8827860253	 0.297726
+19
+0 5397	2.3960524	1.4860157	1.0306205	3.9375	77.	-0.23345	-0.00659	0.22685999999999998	1191.4297	0.155033	-422.547132	-422.537773	-422.536828	-422.581274	34.319
+C	 1.306687858	-0.2493522566	 1.1526681513	-0.394716
+C	 0.7210555819	 0.014155307	-0.2378305764	-0.185463
+C	 1.6072940821	-0.5454943742	-1.3563069467	-0.184134
+C	 1.4455444849	-2.0848494116	-1.5197254667	 0.443652
+O	 1.513606181	-2.9855237143	-0.7263746769	-0.333903
+C	 0.9313848135	-1.9879624797	-2.9145001782	-0.262147
+C	 1.8856404087	-1.1202597359	-3.7555637338	-0.361027
+C	 1.033776856	-0.4196993511	-2.7770210337	 0.419768
+O	 0.1165737299	 0.5641368148	-3.0568319115	-0.451906
+H	 1.4410519065	-1.3213468208	 1.3182801645	 0.148674
+H	 2.2831781835	 0.2348113735	 1.2666405843	 0.109476
+H	 0.6476311318	 0.1421769088	 1.9334941514	 0.109982
+H	-0.2800315235	-0.4279312519	-0.3123558876	 0.105653
+H	 0.5921373636	 1.0897650831	-0.403961025	 0.108132
+H	 2.634909326	-0.1767691694	-1.244697349	 0.081663
+H	 0.2152954533	-2.6432190024	-3.3957329516	 0.109858
+H	 2.9643614422	-1.1947380989	-3.6353788984	 0.125096
+H	 1.5651984953	-1.052601018	-4.7934228048	 0.116448
+H	 0.0917540252	 0.7174943278	-4.0062774813	 0.294894
+19
+0 5398	1.9747957	1.6119399	1.053815	3.1534	76.2	-0.23784	-0.02588	0.21195999999999998	1203.1989	0.154292	-422.540644	-422.531247	-422.530303	-422.575026	34.028
+C	 1.5603870398	 0.9798818728	 0.5149928831	-0.38753
+C	 0.9228642071	-0.3393073165	 0.0660988735	-0.198991
+C	 1.618992509	-0.9819267747	-1.1297702403	-0.192136
+C	 1.0965284311	-2.3538756923	-1.6615024794	 0.427459
+O	 1.0661691545	-3.4565903168	-1.2018455644	-0.30783
+C	 0.8180139656	-1.7548566967	-3.0335414951	-0.193977
+O	-0.056980231	-0.6300588004	-2.7704953578	-0.275612
+C	 1.3418181531	-0.442914198	-2.5578400042	 0.416801
+C	 2.0536082731	 0.6319443755	-3.3134434107	-0.506066
+H	 1.0418960121	 1.3877053083	 1.3880455074	 0.120157
+H	 2.6128209466	 0.8415959534	 0.7867739525	 0.115146
+H	 1.5183683798	 1.7372559712	-0.2751018961	 0.117994
+H	 0.9410223351	-1.0591696053	 0.8930223861	 0.115418
+H	-0.1308205373	-0.1834402922	-0.1882191176	 0.118295
+H	 2.6970609842	-1.0914600484	-0.9464362105	 0.097778
+H	 0.7752543658	-2.2000503027	-4.0210011517	 0.119886
+H	 1.8526864037	 1.6146957766	-2.8740298901	 0.140873
+H	 3.1353729467	 0.4680472465	-3.288858265	 0.132528
+H	 1.721508811	 0.6508679496	-4.3546807897	 0.139808
+19
+0 5399	1.9316988	1.697589	1.111772	4.2771	77.31	-0.23663	-0.01258	0.22405	1167.0529	0.154881	-422.534535	-422.525214	-422.52427	-422.56881	33.684
+C	 1.4868254992	-0.1411341875	 0.0178802372	-0.23922
+O	 0.0831322328	 0.0215351942	-0.0114355417	-0.236578
+C	-0.4263557343	 0.7407392552	 1.0721651753	-0.074414
+C	-1.9785143779	 0.8852740467	 1.1103094387	 0.411876
+O	-2.8580445616	 0.0943287322	 1.3006836988	-0.320493
+C	-1.9037831567	 2.373407558	 1.056209422	-0.234019
+C	-1.0457819698	 2.7831174313	-0.1400039923	-0.325594
+C	-0.3425491363	 2.2877097275	 1.0712884234	 0.328175
+C	 0.6075336809	 3.1044715448	 1.8995699164	-0.503049
+H	 1.8143837598	-0.6315531128	 0.9471569393	 0.109877
+H	 1.7560558463	-0.7734335606	-0.8311829069	 0.134257
+H	 2.0155966492	 0.8186973254	-0.0744573294	 0.110035
+H	-0.0763402219	 0.3215677767	 2.0308895861	 0.085925
+H	-2.5661773252	 3.0787460036	 1.5430577993	 0.110817
+H	-1.0620999963	 2.1878258144	-1.046981535	 0.1385
+H	-1.0162637754	 3.8557951546	-0.3051484976	 0.122393
+H	 0.6592238439	 2.7336317952	 2.9290556321	 0.126224
+H	 1.6214938584	 3.0763067105	 1.4844033513	 0.129346
+H	 0.2973730746	 4.1538688107	 1.934980743	 0.125942
+19
+0 5400	2.340624	1.3987623	0.9680024	2.4457	76.18	-0.24285	-0.02949	0.21336000000000002	1245.9511	0.154372	-422.540035	-422.53079	-422.529846	-422.574813	33.556
+C	 2.7784714798	 1.5070663005	-0.0836871298	-0.39141
+C	 2.0002114401	 0.1945665984	 0.0461312966	-0.178794
+C	 1.9543026319	-0.5903322664	-1.2685508355	-0.213504
+C	 1.0239607479	-0.0462739061	-2.376299779	 0.407334
+O	 0.937307822	 1.0078516051	-2.9366578755	-0.2961
+C	 0.2187411432	-1.3618815373	-2.4524821979	-0.442187
+C	 1.1021656322	-1.8785796309	-1.3062638352	 0.419115
+C	 1.4472903713	-3.2423988299	-0.9151645099	-0.262552
+O	 0.549726976	-2.4431329841	-0.1284574268	-0.258924
+H	 2.7632382478	 2.0640869419	 0.8578933557	 0.114238
+H	 3.8260588931	 1.3205326896	-0.3453306423	 0.112221
+H	 2.3481933335	 2.1399491779	-0.8648224963	 0.145693
+H	 2.4467089553	-0.4455584206	 0.8159464558	 0.109491
+H	 0.9757529062	 0.3949959283	 0.3804348035	 0.108974
+H	 2.9710674498	-0.7439932167	-1.653891549	 0.102762
+H	-0.8421877693	-1.2598309398	-2.204479921	 0.148513
+H	 0.3095842003	-1.8859754946	-3.4088279249	 0.137289
+H	 0.9893510684	-4.0873019029	-1.4280026746	 0.119613
+H	 2.4133312606	-3.4465812725	-0.4545719139	 0.118227
+19
+0 5401	2.4478107	1.3743155	0.9805601	3.9601	75.97	-0.26898	0.01054	0.27952	1246.3324	0.155919	-422.568018	-422.55909	-422.558146	-422.601817	32.92
+C	 1.1980889338	-0.1557865741	 0.9923057694	-0.387972
+C	 0.9265319959	 0.0385670719	-0.5032863264	-0.199246
+C	 1.8830104653	-0.7748837377	-1.3754234853	-0.29157
+C	 3.3316630892	-0.2735079592	-1.4475069542	 0.459254
+O	 4.2321008466	-0.0558074556	-0.701116765	-0.3301
+O	 3.3087989945	-0.0866044247	-2.809918327	-0.268117
+C	 1.925342666	-0.5226423088	-2.8805113227	 0.452065
+C	 1.4283747134	-1.3000281712	-4.0441842835	-0.336156
+C	 0.9663878	 0.1355441232	-3.8062626085	-0.332677
+H	 1.0498516645	-1.2002395353	 1.2875881909	 0.1164
+H	 2.2278752899	 0.1176377779	 1.2382841829	 0.151313
+H	 0.524452884	 0.4608874845	 1.5940953506	 0.116264
+H	-0.1032140768	-0.256321389	-0.7413870571	 0.102626
+H	 1.0137566575	 1.0990994121	-0.7666870935	 0.112488
+H	 1.8399386558	-1.8378216845	-1.1149227922	 0.112488
+H	 2.12132682	-1.4705424492	-4.8606227076	 0.136436
+H	 0.7281372622	-2.1090660472	-3.863758192	 0.124312
+H	 1.3587920301	 0.9009602198	-4.4665412564	 0.136928
+H	-0.0488734018	 0.3060009072	-3.4635732225	 0.125263
+19
+0 5402	1.8600177	1.748623	1.0167631	3.4704	77.04	-0.23783	-0.02477	0.21306000000000003	1205.6149	0.15451	-422.524386	-422.515085	-422.514141	-422.559212	33.497
+C	 1.4997339342	 0.3442525905	-0.3102606927	-0.244356
+O	 0.2573014841	-0.20536866	 0.0855520402	-0.235716
+C	-0.3708450084	 0.4621473094	 1.1316151585	-0.029909
+C	-1.9019584293	 0.2552880976	 1.26078251	 0.373683
+O	-2.789403825	 0.1492063138	 0.4694664915	-0.284997
+C	-1.7934704279	 0.0873226779	 2.791696129	-0.439394
+C	-0.2785970606	-0.0724343887	 2.5849628491	 0.318515
+C	 0.8403976376	 0.0815536331	 3.5668653285	-0.340199
+C	 0.5265970277	-1.2749029427	 2.9721642099	-0.302546
+H	 2.2593998675	 0.2706724399	 0.4809692023	 0.110981
+H	 1.8396177049	-0.2280498386	-1.1763220625	 0.135867
+H	 1.3973516222	 1.4005901268	-0.5989756489	 0.114693
+H	-0.159794764	 1.5456014391	 1.1017716684	 0.087629
+H	-2.0875059659	 0.9945337348	 3.331656356	 0.129272
+H	-2.3425208337	-0.762582061	 3.2052605242	 0.134424
+H	 1.7439653552	 0.589071598	 3.2431709434	 0.113006
+H	 0.5863975216	 0.2525505768	 4.6083246947	 0.116438
+H	 1.2024915753	-1.6822499121	 2.2278229179	 0.125786
+H	 0.0617557545	-2.0182549648	 3.6117732105	 0.116822
+19
+0 5403	2.5508739	1.3369533	0.9764239	3.3575	76.06	-0.24899	-0.03146	0.21753	1226.6947	0.155811	-422.544132	-422.535234	-422.534289	-422.578065	33.233
+O	-0.9476819396	-0.2074313175	-0.9782191219	-0.421985
+C	-0.2764725984	 0.7856733304	-0.2319713357	-0.073114
+C	-0.4497687214	 0.5390779027	 1.2709127032	-0.213045
+C	-1.9035478761	 0.7099879683	 1.7295761015	 0.409443
+O	-2.9446671718	 0.3488993608	 1.2491155172	-0.316675
+C	-1.5181244367	 1.6471050481	 2.8831132906	-0.427206
+C	-0.084650869	 1.6242377099	 2.3094711769	 0.335527
+C	 1.1963980739	 1.7683447143	 3.071155451	-0.323703
+C	 0.7833953386	 2.8277505108	 2.0736301668	-0.3178
+H	-1.8631558403	-0.2196688284	-0.6677000795	 0.297344
+H	 0.7809646244	 0.7367108755	-0.5145399649	 0.108692
+H	-0.634816055	 1.798050126	-0.4795761577	 0.089414
+H	-0.0586799146	-0.4545688856	 1.5206070394	 0.108993
+H	-2.0480072666	 2.6043656945	 2.9030277776	 0.133337
+H	-1.621449689	 1.1697958138	 3.86427635	 0.135123
+H	 1.1369406513	 2.0102785507	 4.1275458155	 0.117122
+H	 2.0241723153	 1.1165462126	 2.8098160757	 0.118811
+H	 0.4418688061	 3.7847733134	 2.4549597065	 0.117805
+H	 1.336493499	 2.8936366598	 1.1424867877	 0.121917
+19
+0 5404	2.1802098	1.5642484	0.9579666	3.5772	77.71	-0.24593	-0.02969	0.21624000000000002	1225.5927	0.156211	-422.595171	-422.58613	-422.585186	-422.6291	33.431
+C	 1.2107251602	 0.7550129867	-0.9631559145	-0.495196
+C	-0.0514146713	 0.2311700993	-0.3527043533	 0.316333
+C	-1.049029815	 0.9598067032	 0.1610910099	-0.18152
+C	-2.1678394297	 0.1281545133	 0.7258576011	-0.368071
+C	-1.7256537105	-1.2974850234	 0.3891322015	 0.401478
+O	-2.393953329	-2.297809871	 0.5182124654	-0.331602
+C	-0.3188662798	-1.2534990479	-0.2198640987	-0.232024
+C	-0.2723600311	-2.0951890255	-1.5163041536	-0.061183
+O	-0.4771901189	-3.4623545262	-1.2531934866	-0.42453
+H	 2.0934229901	 0.3638615746	-0.4414829293	 0.131188
+H	 1.3096634718	 0.4509413328	-2.0122478392	 0.135951
+H	 1.2474829656	 1.8470053137	-0.9241967419	 0.12715
+H	-1.057896007	 2.0440024344	 0.1915395815	 0.097055
+H	-2.288169563	 0.2346676491	 1.8132853769	 0.139427
+H	-3.1549043762	 0.3307986541	 0.2919746853	 0.13944
+H	 0.3851432137	-1.7286271127	 0.4803957806	 0.114436
+H	-1.0108697173	-1.6950873878	-2.2318328041	 0.086958
+H	 0.7143205384	-2.0024347725	-1.982182351	 0.107753
+H	-1.2813469409	-3.5201335042	-0.7166578599	 0.296956
+19
+0 5405	2.0537187	1.7601726	1.1032448	3.0412	77.54	-0.23171	-0.02626	0.20545	1144.3528	0.155062	-422.574052	-422.564589	-422.563644	-422.608544	33.858
+C	 1.3451946226	-0.3198646488	-0.2420427066	-0.253544
+O	-0.0323130844	-0.1206984968	 0.0326961653	-0.235123
+C	-0.3127644025	 0.6937617971	 1.1487051045	-0.067119
+C	 0.3527021704	 2.0972067911	 1.1312839767	 0.365655
+O	 0.5164227441	 2.7768507502	 0.1542157074	-0.300329
+C	 0.8164069767	 2.4169859584	 2.5575695887	-0.370514
+C	 0.6801192606	 1.0885234725	 3.2533649058	-0.176956
+C	 0.0930452306	 0.1478407237	 2.5054570109	 0.283397
+C	-0.2189098733	-1.262655546	 2.8891398013	-0.490628
+H	 1.8865044212	-0.715699687	 0.6290081192	 0.106552
+H	 1.3950642619	-1.0525677761	-1.0503578167	 0.130042
+H	 1.8315873804	 0.6061980548	-0.5707583085	 0.13125
+H	-1.403015105	 0.8400175551	 1.108547896	 0.11262
+H	 1.8318708755	 2.8307317876	 2.5535317219	 0.134732
+H	 0.1696817411	 3.1961867448	 2.9853795757	 0.137081
+H	 1.0141182371	 0.9335563201	 4.2743989753	 0.097846
+H	 0.1735777163	-1.5056717062	 3.8802400291	 0.123268
+H	-1.3027796892	-1.4354100057	 2.8963573869	 0.131607
+H	 0.1984525258	-1.9697752187	 2.1641241071	 0.140162
+19
+0 5406	1.9107013	1.8024652	1.0661124	1.9672	75.06	-0.23942	-0.04135	0.19807	1163.6899	0.155396	-422.611984	-422.602634	-422.60169	-422.64764	33.27
+C	 0.7311561977	 0.4514873179	-2.0571369841	-0.396525
+C	 1.272230411	 0.2263433248	-0.640861462	-0.188758
+C	 2.2485642744	-0.9474573106	-0.5361168542	-0.222729
+C	 3.5412868447	-0.8490202434	-1.3451063208	 0.387155
+O	 4.08393723	 0.1717493806	-1.6799384161	-0.309153
+C	 4.0328492114	-2.2648123166	-1.68176678	-0.33015
+C	 2.855438719	-3.214401115	-1.3891307833	-0.330182
+C	 1.7047319319	-2.3339188924	-0.8789101281	 0.387455
+O	 0.5566200886	-2.6813978129	-0.7807195477	-0.30929
+H	 0.1860306601	-0.4269506156	-2.4147373193	 0.131408
+H	 0.0407276943	 1.2996725305	-2.0721617459	 0.117912
+H	 1.5418024138	 0.6704255622	-2.7582424656	 0.131559
+H	 1.7877215496	 1.1274993731	-0.2939136587	 0.115308
+H	 0.4418504641	 0.0380757838	 0.0470464147	 0.115396
+H	 2.5913735624	-1.0428006955	 0.5106871055	 0.133909
+H	 4.3690059702	-2.2851479669	-2.721554447	 0.143072
+H	 4.912543039	-2.4803239365	-1.0657856785	 0.140093
+H	 2.511558674	-3.7725947347	-2.2637589384	 0.143334
+H	 3.0911043037	-3.9568377427	-0.6192166004	 0.140189
+19
+0 5407	2.6014573	1.1055447	0.9137826	1.6182	80.06	-0.24311	0.03304	0.27615	1327.4561	0.152871	-422.512109	-422.501481	-422.500537	-422.547524	38.308
+C	 2.3813405853	-2.7152163979	-1.8543779782	-0.432143
+C	 2.2349080266	-3.2213467753	-0.4403265232	 0.424219
+O	 2.0681474373	-4.6088919462	-0.4044181892	-0.476152
+C	 1.5219884907	-2.4277366071	 0.6212460841	-0.118325
+C	 0.9155705085	-1.0646543671	 0.3746182867	-0.091133
+O	-0.2416034841	-1.1125872697	-0.4482677345	-0.411844
+C	 3.048447216	-2.5855791442	 0.6922289911	-0.330605
+C	 3.6445224244	-3.4500243551	 1.6624214395	 0.280289
+C	 4.1290820674	-4.247020037	 2.4256371822	-0.409504
+H	 3.2476841604	-3.1836728116	-2.3309182707	 0.121711
+H	 1.4888657957	-2.971376205	-2.4323993264	 0.138517
+H	 2.5061970229	-1.630862037	-1.890498336	 0.117084
+H	 2.6741141579	-4.9721212823	 0.2552926239	 0.286266
+H	 0.9810570695	-3.0511847247	 1.3294907153	 0.096735
+H	 0.7005732019	-0.5784254742	 1.3392806965	 0.096296
+H	 1.6224235162	-0.4180807024	-0.154336339	 0.109119
+H	-0.8839780146	-1.6895372022	-0.0225772456	 0.285124
+H	 3.6286017919	-1.7055529342	 0.4278197967	 0.113237
+H	 4.561437986	-4.9143585569	 3.1295855465	 0.201109
+19
+0 5408	2.5278723	1.1675715	0.9496361	0.2907	80.46	-0.23132	0.03663	0.26795	1308.6536	0.152215	-422.497217	-422.48661	-422.485666	-422.532463	38.026
+C	 1.6617575008	 0.0549078795	-0.1451443194	-0.238502
+O	 0.2448826959	-0.0027062667	-0.1539188741	-0.237033
+C	-0.3193422084	 0.4942939164	 1.0126588189	 0.051705
+C	-1.793118369	 0.8501815639	 0.9124224755	-0.35263
+C	-2.6948762234	 0.5546846045	 1.9810474976	 0.279713
+C	-3.4286263641	 0.3899956269	 2.9226450553	-0.40854
+C	-0.7281632592	 1.9418430459	 1.1352898672	 0.356428
+C	-0.4511177188	 2.9246832445	 0.0256410447	-0.44617
+O	-0.6551543736	 2.5029616648	 2.4118682952	-0.466521
+H	 2.0801310857	-0.5392574527	 0.6801936653	 0.114671
+H	 2.0030262322	-0.3645511829	-1.0939601079	 0.131075
+H	 2.0271643989	 1.0863873636	-0.0522284484	 0.117662
+H	 0.0081988723	 0.0176723601	 1.9378071596	 0.102194
+H	-2.1966935154	 0.7978075274	-0.0944127707	 0.125295
+H	-4.0861852202	 0.1960918712	 3.7336729883	 0.2003
+H	-0.3679213331	 2.4114205299	-0.9349537304	 0.130629
+H	-1.2477582031	 3.6726464026	-0.0374941709	 0.122639
+H	 0.487959814	 3.4510326847	 0.2244126656	 0.128072
+H	-1.4881398416	 2.3284539065	 2.8700289286	 0.289015
+19
+0 5409	1.8384277	1.3642004	0.9494502	1.5252	79.19	-0.23239	0.04703	0.27942	1304.8511	0.15333	-422.508404	-422.497849	-422.496904	-422.543763	38.18
+C	-3.1413191157	-1.864424235	 2.3145925484	-0.473687
+C	-1.9618180803	-2.0689912848	 1.3749623224	 0.061021
+C	-2.3044776599	-2.4649856267	 0.0364324934	 0.283147
+C	-2.6130973859	-2.8121482108	-1.0744637491	-0.456074
+C	-0.6530784452	-2.6307198388	 1.9549350852	 0.068413
+O	-0.5685616666	-2.9219428088	 3.3151500947	-0.42005
+C	-0.7159224341	-1.1901051811	 1.5866538513	-0.112901
+C	 0.1038268121	-0.6466651482	 0.4379350277	-0.099934
+O	 1.4924777802	-0.5915306754	 0.7323769509	-0.41162
+H	-2.7890469927	-1.7015885506	 3.3353351768	 0.132148
+H	-3.7409139308	-1.0030984089	 2.0053800776	 0.127524
+H	-3.7934109797	-2.7437388256	 2.3112019619	 0.122861
+H	-2.8822214836	-3.114851767	-2.0558260151	 0.191743
+H	-0.0818035862	-3.285245389	 1.2981668558	 0.105424
+H	-0.9183335826	-3.8086360846	 3.4557664671	 0.291752
+H	-0.8157815588	-0.5220758285	 2.4403613339	 0.094215
+H	 0.0083300717	-1.3021609727	-0.4315335015	 0.121987
+H	-0.2823504525	 0.3407132796	 0.1403538531	 0.091401
+H	 1.6109016205	-0.027455983	 1.5032420655	 0.282629
+19
+0 5410	1.9710767	1.3979697	1.0303663	0.6729	79.05	-0.24525	0.02593	0.27118	1248.1204	0.153481	-422.510079	-422.499703	-422.498759	-422.544991	37.909
+C	 4.0365606104	-3.7271120125	 0.1319273682	-0.413134
+C	 3.301995187	-2.4119874007	 0.0020523531	-0.074077
+C	 1.8534009304	-2.3446918242	-0.4175133075	-0.112423
+C	 0.8936310395	-1.3555896815	 0.2085861103	-0.099394
+O	-0.0495833865	-0.8479227619	-0.7214107303	-0.423198
+C	 2.9481234638	-1.8611090853	-1.367291457	 0.194927
+O	 3.289102493	-2.6915285658	-2.445468679	-0.448438
+C	 3.0545493177	-0.4480556146	-1.6324900904	 0.29037
+C	 3.0873081448	 0.7294004289	-1.885527757	-0.473284
+H	 3.8162166588	-4.1923619038	 1.0985336024	 0.118161
+H	 3.7472757194	-4.4193067914	-0.660616613	 0.136617
+H	 5.1193036007	-3.5785496432	 0.0682550927	 0.12517
+H	 3.6035637303	-1.6498220357	 0.7162765005	 0.099267
+H	 1.4098086203	-3.2828693118	-0.7420281908	 0.098336
+H	 0.3114981554	-1.8498201466	 0.9939547529	 0.111264
+H	 1.4595134556	-0.5419791115	 0.6852615777	 0.094042
+H	 0.4453523259	-0.2972042461	-1.3392665306	 0.28481
+H	 2.635980323	-2.554595363	-3.1409607816	 0.288719
+H	 3.1611586304	 1.7672632205	-2.0995387408	 0.202265
+19
+0 5411	2.1079753	1.2244263	1.0097272	1.1499	79.18	-0.23333	0.02792	0.26125	1298.1407	0.152719	-422.506932	-422.496341	-422.495397	-422.542293	38.379
+C	 1.2004194566	-0.3331385705	 1.2449610074	-0.372377
+C	 0.9398305572	 0.2601574175	-0.1445441842	-0.21089
+C	 1.7749532404	-0.3899616973	-1.2261812122	-0.090735
+C	 1.3882963646	-0.3239030573	-2.6717492954	 0.033104
+O	 2.4091065239	-0.1153021824	-3.5911354377	-0.420113
+C	 1.2690161698	-1.6530740749	-1.9454816859	 0.125808
+O	-0.058856049	-2.051529278	-1.7171035668	-0.451043
+C	 2.1938671712	-2.7074539757	-2.2556973977	 0.306372
+C	 2.9444549156	-3.612736926	-2.511638652	-0.46549
+H	 0.9544824799	-1.4004264226	 1.2737880867	 0.105816
+H	 2.2533637037	-0.2324760485	 1.5291152637	 0.11971
+H	 0.597907655	 0.1686432388	 2.0081668065	 0.11499
+H	-0.1196949552	 0.1555097601	-0.3977958734	 0.112843
+H	 1.1552617101	 1.3359546242	-0.1323510475	 0.104085
+H	 2.8498407473	-0.3849837459	-1.0647784632	 0.107045
+H	 0.425449132	 0.1318834103	-2.9079077297	 0.10148
+H	 2.2769233585	-0.7173535967	-4.3321322355	 0.292892
+H	-0.0660372977	-2.617067853	-0.9362667706	 0.289557
+H	 3.611843886	-4.4084939621	-2.7328166824	 0.196945
+19
+0 5412	1.8493375	1.4930373	1.0454844	1.6114	79.89	-0.22338	0.03307	0.25645	1249.8522	0.152478	-422.491502	-422.480949	-422.480005	-422.526548	37.958
+C	 1.5087925679	-0.0894856416	 0.0730032295	-0.240322
+O	 0.0958686268	-0.1984277312	 0.0979466433	-0.231719
+C	-0.4787020842	 0.4311713513	 1.1874846981	 0.041166
+C	-1.9032487986	 0.8629791145	 1.0552142628	-0.102987
+C	-2.9068495348	 0.6707005532	 2.169414061	-0.415182
+C	-0.8168382999	 1.9300920614	 1.1542828138	 0.12079
+O	-0.7883824421	 2.6138958109	 2.3810609152	-0.44372
+C	-0.4770191672	 2.7098723469	-0.0036009339	 0.321809
+C	-0.153376519	 3.3905693247	-0.9421597959	-0.47181
+H	 1.9603650884	-0.5388140666	 0.9703386559	 0.104856
+H	 1.8548007562	-0.6342085169	-0.8080658545	 0.129927
+H	 1.8289542954	 0.9576012712	-0.0012416653	 0.119446
+H	-0.1466745875	 0.0799016346	 2.1678182644	 0.089062
+H	-2.2896040361	 0.7483163594	 0.0466840773	 0.114527
+H	-3.2920181348	-0.354361311	 2.1613011329	 0.120397
+H	-2.4562154834	 0.8654446703	 3.1442297267	 0.135506
+H	-3.754960364	 1.3525033854	 2.0523353038	 0.12578
+H	 0.1032214185	 2.9587823264	 2.5032931832	 0.286565
+H	 0.1101411685	 3.988664887	-1.7789839083	 0.195908
+19
+0 5413	2.4976573	1.1660686	0.9841248	0.3326	79.85	-0.23347	0.03785	0.27132	1295.4241	0.152246	-422.493191	-422.482419	-422.481475	-422.528745	38.089
+C	 1.4159436029	 0.1224662566	-0.3118808979	-0.235854
+O	 0.0675028389	 0.0019453357	 0.107938207	-0.239707
+C	-0.1627263806	 0.5852809644	 1.3450647878	 0.03689
+C	-0.4426565967	 2.0596620896	 1.4510337099	 0.040182
+O	 0.0266160332	 2.7889598365	 2.5357317655	-0.427015
+C	-1.5917033232	 1.0514468345	 1.6168549318	 0.022124
+C	-2.6325677698	 0.9351590908	 0.5137258245	-0.460618
+C	-2.071514619	 0.9082124879	 2.9629455269	 0.239609
+C	-2.4568759273	 0.8687467791	 4.1039472376	-0.427263
+H	 2.0987408962	-0.3914699541	 0.3801286373	 0.113746
+H	 1.4866242279	-0.3462990911	-1.2957343864	 0.130304
+H	 1.7237484227	 1.1744976671	-0.3862100103	 0.117776
+H	 0.3707362803	 0.1385949393	 2.1858420409	 0.101392
+H	-0.4601018759	 2.6215346193	 0.5188724622	 0.106443
+H	-0.6178737994	 2.7093160593	 3.2519268655	 0.290931
+H	-3.1289096643	-0.0388190393	 0.5550729668	 0.131908
+H	-3.3943271159	 1.712967151	 0.6207152657	 0.12497
+H	-2.1598608365	 1.0290048207	-0.4649085777	 0.135008
+H	-2.8086670835	 0.7851665328	 5.1025797329	 0.199173
+19
+0 5414	3.9759925	0.6919889	0.6226111	2.9239	83.59	-0.22663	0.05013	0.27676	1806.6361	0.154534	-422.51331	-422.502675	-422.501731	-422.550745	36.807
+C	 1.5629694029	-0.3004074797	 0.0706419374	-0.499203
+C	 0.1163595269	-0.1419525562	 0.030758765	 0.116937
+C	-1.0814969398	-0.0113426752	-0.0073532265	 0.04137
+C	-2.5047763398	 0.1478302143	-0.0386481214	-0.299825
+C	-3.31901288	 0.1145644354	 1.2504850802	 0.083318
+O	-4.6004899314	-0.4483669083	 1.243101352	-0.42432
+C	-3.1801185974	 1.4072461757	 0.5180794082	-0.066479
+C	-4.3989935364	 1.9691892075	-0.1895415072	-0.078859
+O	-5.3797512592	 2.4255030599	 0.7260735154	-0.424093
+H	 1.9276680754	-0.3666146659	 1.1019086154	 0.146686
+H	 1.8770217333	-1.2132615976	-0.4479022691	 0.147398
+H	 2.0740604387	 0.5432760389	-0.4068806218	 0.147334
+H	-3.0155202619	-0.2840864942	-0.8963723259	 0.109766
+H	-2.7597980945	-0.0150884232	 2.1751994487	 0.102226
+H	-4.5197150761	-1.4074815625	 1.2637509595	 0.295552
+H	-2.5226299056	 2.1408668799	 0.972529699	 0.105873
+H	-4.1138463919	 2.8364398225	-0.7934770637	 0.110254
+H	-4.8140536316	 1.214550854	-0.8722253275	 0.091896
+H	-5.6716144317	 1.6456605648	 1.2127179022	 0.294168
+19
+0 5415	3.5555156	0.7657589	0.6806777	0.9713	83.77	-0.22959	0.04287	0.27246	1708.6112	0.153008	-422.496003	-422.485058	-422.484113	-422.533268	37.055
+C	-5.3610635722	-1.9413035333	-1.4414570422	-0.234865
+O	-4.4568452695	-1.5056976053	-0.441221393	-0.237239
+C	-3.2791674802	-0.9965302279	-0.9696221879	 0.063241
+C	-3.2092513059	 0.4452360932	-1.3900189037	 0.074236
+O	-2.4073098303	 0.8135832521	-2.4624474718	-0.425448
+C	-2.5504350538	-0.0062960728	-0.0804623185	-0.310639
+C	-1.1200631374	 0.0072497682	-0.0155673929	 0.018738
+C	 0.085171597	 0.0710200956	-0.0222729783	 0.122319
+C	 1.540454964	 0.1119445655	 0.0116150651	-0.501259
+H	-4.9351768024	-2.7602471745	-2.039507897	 0.111576
+H	-6.2545812515	-2.3035710048	-0.9283670987	 0.129272
+H	-5.6382271525	-1.123479957	-2.1209515874	 0.115866
+H	-2.6654994557	-1.6950838719	-1.5405300545	 0.101377
+H	-4.116859757	 1.0358880269	-1.2836207477	 0.105738
+H	-1.5262732529	 1.0102142468	-2.1161790134	 0.289555
+H	-3.0863018209	 0.2601878141	 0.8255369972	 0.123325
+H	 1.9268513736	-0.3919597508	 0.9044126059	 0.153685
+H	 1.9719620898	-0.3883766842	-0.862300078	 0.151247
+H	 1.9147884978	 1.1415844201	 0.0236533865	 0.149276
+19
+0 5416	4.1091778	0.8431629	0.7520581	0.3263	78.39	-0.24242	0.04794	0.29036	1523.1804	0.153517	-422.488423	-422.478199	-422.477255	-422.523978	36.518
+C	 1.6760502641	 0.0997561382	-0.0394324996	-0.237155
+O	 0.2839394003	 0.1042099518	-0.2971644011	-0.240588
+C	-0.4602104038	 0.572145879	 0.7780334362	 0.070382
+C	-0.6640676622	 2.0530623906	 0.9616353679	 0.052157
+O	-0.7032998929	 2.5331877637	 2.2721971996	-0.424911
+C	-1.7986567028	 1.1757458541	 0.4625796961	-0.097883
+C	-2.9908679418	 0.923294419	 1.3765014425	-0.383676
+C	-3.8086800577	 2.122940707	 1.5532316939	 0.300653
+C	-4.4404099028	 3.1371085105	 1.6927091843	-0.45858
+H	 1.9283556871	-0.5640093613	 0.800961882	 0.109413
+H	 2.1680362295	-0.2685784996	-0.9424316023	 0.127719
+H	 2.0490082245	 1.1072695415	 0.1920970789	 0.114802
+H	-0.376652469	-0.0119502001	 1.6975300002	 0.091819
+H	-0.190653806	 2.7050011992	 0.2277271533	 0.091877
+H	-1.4677438216	 3.117995857	 2.3458361825	 0.29571
+H	-2.0303881752	 1.2720778287	-0.5933298082	 0.10782
+H	-3.6050979579	 0.1089181603	 0.9741019816	 0.137185
+H	-2.6383117564	 0.5907260267	 2.3586961014	 0.1435
+H	-5.0223750954	 4.0170842937	 1.8142253407	 0.199753
+19
+0 5417	3.1806542	0.8786139	0.7420445	0.6449	77.84	-0.2559	0.04718	0.30308	1520.897	0.154131	-422.504411	-422.494119	-422.493175	-422.540377	36.854
+O	 6.0448153236	 1.8229784607	-1.4004193922	-0.413261
+C	 5.5358208781	 2.3214442998	-0.1701073356	-0.08927
+C	 4.582632044	 1.3694803454	 0.5133905778	-0.091318
+C	 3.407210649	 1.8851503068	 1.2980761996	 0.086692
+O	 3.1001211862	 1.2165101292	 2.4860541345	-0.429796
+C	 3.177020956	 1.1839116679	-0.0176820434	-0.042269
+C	 2.5220453765	-0.1914975596	-0.00283457	-0.384936
+C	 1.1037923852	-0.1172797649	 0.3470183074	 0.299166
+C	-0.0521710417	-0.0146330962	 0.6639268021	-0.4604
+H	 6.5399868865	 1.0202011627	-1.2090215865	 0.280794
+H	 6.3523034124	 2.5910172408	 0.5182331674	 0.093999
+H	 5.0140078539	 3.2495275457	-0.4274077723	 0.10702
+H	 5.0403421066	 0.4795944099	 0.9420465336	 0.088834
+H	 3.2594772922	 2.9651804807	 1.3286870849	 0.084377
+H	 2.143004614	 1.0936780746	 2.5097813059	 0.294635
+H	 2.8885817565	 1.8111984442	-0.8563128517	 0.09958
+H	 2.6404528517	-0.6728140482	-0.9809656985	 0.13559
+H	 3.0302906824	-0.8329949963	 0.7249192828	 0.141433
+H	-1.0795311529	 0.0559556169	 0.923313074	 0.19913
+19
+0 5418	2.3206797	1.4645636	0.9804066	4.4764	78.	-0.24821	-0.05668	0.19152999999999998	1218.2133	0.157265	-422.597292	-422.588499	-422.587555	-422.630949	32.721
+C	-3.2175164587	-1.1208331155	 1.1760552643	-0.403988
+C	-2.3233629326	-0.5980261046	 0.0428622614	-0.060727
+C	-2.0738211151	 0.8917159337	 0.1202218918	-0.047331
+C	-0.7794881174	 1.2259514308	 0.0450673905	-0.181709
+C	 0.037178553	 0.0069898565	-0.1124893079	 0.38299
+O	 1.2307102734	-0.0552328236	-0.3426932329	-0.362147
+C	-0.9007865799	-1.2009886545	 0.0130774347	-0.141645
+C	-0.6212919083	-2.2266876178	-1.0987243013	-0.066056
+O	 0.6723211929	-2.7708109096	-0.9942503037	-0.42735
+H	-3.3648148652	-2.2012149508	 1.0851520324	 0.129174
+H	-2.7669990729	-0.9212231154	 2.1538157103	 0.126075
+H	-4.2033937608	-0.6449419336	 1.1544215282	 0.11877
+H	-2.831649224	-0.8083454053	-0.9107110346	 0.098084
+H	-2.8955579879	 1.5951229555	 0.2175815871	 0.118418
+H	-0.3549957845	 2.2215490326	 0.0520743622	 0.121161
+H	-0.6763408165	-1.6878199085	 0.970914387	 0.11186
+H	-1.3303327676	-3.0594390819	-1.0241705512	 0.103594
+H	-0.788805564	-1.7467465826	-2.0794991317	 0.083959
+H	 1.2751018258	-2.0171936255	-0.9025479468	 0.296867
+19
+0 5419	1.9939545	1.6133735	0.9541897	2.7884	77.6	-0.23878	-0.04966	0.18911999999999998	1235.941	0.156182	-422.594663	-422.585469	-422.584525	-422.628924	33.675
+C	 1.5188517191	 1.1190708004	 0.5051811258	-0.398429
+C	 0.9602475286	-0.2486282221	 0.1015208657	-0.187222
+C	 1.6332533655	-0.8501251261	-1.1338728023	-0.131811
+C	 1.4106665666	-0.1303348352	-2.4852952305	 0.057297
+O	 2.4921448354	 0.6718778737	-2.9357150731	-0.436538
+C	 1.1997690532	-1.2569906921	-3.4683122661	-0.054947
+C	 1.0547411814	-2.4461574258	-2.8767829638	-0.185318
+C	 1.193232759	-2.3020974085	-1.4071525874	 0.37109
+O	 0.9920599886	-3.1467567665	-0.5657845611	-0.337835
+H	 1.0322084563	 1.4921722296	 1.4113964126	 0.122467
+H	 2.5952436163	 1.0656434715	 0.7031713755	 0.120289
+H	 1.3591322073	 1.8729141086	-0.2759375393	 0.103144
+H	 1.0754653167	-0.9617938304	 0.9242952493	 0.125254
+H	-0.1196970979	-0.1684659378	-0.079284921	 0.099641
+H	 2.7210510784	-0.884756523	-0.9803348481	 0.111728
+H	 0.4880245189	 0.4739808479	-2.4379063734	 0.085188
+H	 2.5632698486	 1.4312441956	-2.3489869719	 0.289045
+H	 1.1604070162	-1.0571845543	-4.5334023314	 0.124949
+H	 0.8496673017	-3.3965922853	-3.3528727996	 0.122007
+19
+0 5420	2.0854569	1.6685756	1.077245	3.627	77.96	-0.22868	-0.05158	0.17709999999999998	1166.2669	0.155997	-422.57399	-422.564793	-422.563849	-422.608141	33.283
+C	 1.2464423196	-0.2562790028	-0.2667529654	-0.256844
+O	-0.0955795964	 0.0140678237	 0.1008127787	-0.241076
+C	-0.2792565567	 0.6893275381	 1.3154286376	 0.021919
+C	 0.0590581868	 2.205358942	 1.3395181408	-0.067943
+C	-1.1001293542	 3.122019254	 0.9370648925	-0.409866
+C	 0.5512534072	 2.4083562102	 2.7533392112	-0.048837
+C	 0.7726584954	 1.2658193734	 3.4171112848	-0.189483
+C	 0.451804699	 0.1093376882	 2.55269163	 0.329343
+O	 0.6998099779	-1.058279058	 2.7458991098	-0.334838
+H	 1.7328872141	-0.9315493145	 0.4451243533	 0.14047
+H	 1.2043213655	-0.7363951223	-1.2468748176	 0.130304
+H	 1.8465462248	 0.6616369986	-0.3581125482	 0.101034
+H	-1.3510811729	 0.5865313258	 1.5362257026	 0.114269
+H	 0.8959230692	 2.3877792879	 0.6508337033	 0.10222
+H	-1.9563357936	 2.9910586216	 1.6076861669	 0.122075
+H	-0.804324025	 4.1758985955	 0.9707994617	 0.115926
+H	-1.4292240218	 2.895017634	-0.08112558	 0.13549
+H	 0.7045342428	 3.4041433619	 3.1596721115	 0.115358
+H	 1.1587503183	 1.1583095326	 4.4229277265	 0.120478
+19
+0 5421	1.5936281	1.5472355	0.9081575	0.3831	78.05	-0.25658	0.01621	0.27279	1333.169	0.154114	-422.503731	-422.493724	-422.49278	-422.539368	35.762
+C	-3.0917741612	 0.3042603336	 2.3661579955	-0.404279
+C	-1.9733880271	-0.6594355972	 2.0306614486	 0.14623
+O	-1.5786773108	-1.4698237018	 3.1696319642	-0.304608
+C	-0.1836079806	-1.127205524	 2.9975185908	-0.056938
+C	 0.4581175432	-0.6323132851	 4.2024694317	 0.313867
+C	 1.0077302577	-0.2108891733	 5.1851418072	-0.433395
+C	-0.5382359054	-0.1051439792	 1.8770235401	-0.098632
+C	 0.1606074039	-0.2706799191	 0.5377700164	-0.087069
+O	 1.4967858116	 0.2016177968	 0.5522781597	-0.416535
+H	-2.8027835396	 0.9580941435	 3.1940689258	 0.127869
+H	-3.3362704292	 0.923447715	 1.4958411267	 0.118361
+H	-3.9926307019	-0.2445126644	 2.6578676413	 0.130699
+H	-2.2674655398	-1.3082026857	 1.1918749798	 0.072911
+H	 0.3770565383	-1.9939586787	 2.6127161376	 0.093784
+H	 1.4873803921	 0.1583911521	 6.0579728924	 0.203443
+H	-0.4445746706	 0.9277813696	 2.219912261	 0.100006
+H	 0.1073102702	-1.3248706568	 0.2178440391	 0.090324
+H	-0.3563260151	 0.3226492139	-0.224924031	 0.115274
+H	 1.9863333843	-0.3015311688	 1.2113168431	 0.288686
+19
+0 5422	1.6986551	1.5418123	0.9281952	2.0842	78.91	-0.24643	0.02015	0.26658000000000004	1319.4691	0.15348	-422.491732	-422.481698	-422.480754	-422.527234	35.522
+C	 1.3885133216	-0.2010103279	 0.0117635185	-0.245267
+O	-0.0021520015	 0.0573793526	 0.0453854668	-0.235667
+C	-0.4227133762	 0.6795193578	 1.217393543	 0.041958
+C	-1.9313115835	 0.9684827153	 1.2727727123	 0.135699
+C	-2.7888007371	 0.260564905	 2.2980442424	-0.411964
+O	-1.6811738029	 2.3586097256	 1.6134318213	-0.309375
+C	-0.2665387683	 2.2323097951	 1.3259304647	-0.067202
+C	 0.594346529	 2.7792209612	 2.3557698567	 0.312225
+C	 1.3269118808	 3.2055966651	 3.2086011744	-0.439465
+H	 1.6963775424	-0.8502568528	 0.8450147403	 0.113145
+H	 1.5992346927	-0.7067545252	-0.9328115253	 0.132999
+H	 1.9777669498	 0.725817442	 0.060012302	 0.119419
+H	-0.0399288973	 0.1656119269	 2.1105178215	 0.082993
+H	-2.3683988719	 0.890024452	 0.2676887828	 0.085308
+H	-2.9074679201	-0.7943481432	 2.0282496526	 0.123548
+H	-2.3378792629	 0.3239902531	 3.2927187231	 0.124799
+H	-3.7831275279	 0.7153031197	 2.3425999792	 0.131681
+H	-0.0244654688	 2.6671993139	 0.3455965164	 0.103916
+H	 1.9683869422	 3.5926041739	 3.9614973872	 0.20125
+19
+0 5423	1.9007467	1.3817383	0.8839483	1.7534	78.74	-0.24183	0.04531	0.28714	1331.7425	0.154165	-422.502271	-422.492348	-422.491404	-422.537262	35.934
+C	 1.5138473279	 0.3416893324	-0.0059965959	-0.246399
+O	 0.1264098858	 0.0648298314	 0.0164067793	-0.239012
+C	-0.5115591307	 0.4766248121	 1.1806026251	 0.10488
+C	-2.0358331744	 0.2500376836	 1.2184872658	 0.112912
+O	-2.9149224498	 1.252239221	 0.790911132	-0.429939
+C	-1.9144621392	-0.1087907922	 2.7237990522	-0.294557
+C	-0.3989970254	-0.4046123353	 2.483007695	-0.209469
+C	 0.5596857192	-0.0403529441	 3.501313086	 0.300143
+C	 1.351643961	 0.2959869436	 4.34275773	-0.445073
+H	 2.0488994213	-0.18391599	 0.7967326871	 0.122727
+H	 1.893986764	 0.0011916713	-0.9716677406	 0.129707
+H	 1.7094759388	 1.4198009418	 0.0964480488	 0.109553
+H	-0.2656558159	 1.5227908037	 1.4305480132	 0.065715
+H	-2.2736823583	-0.637962236	 0.6250620082	 0.108294
+H	-2.7307448176	 2.0507773151	 1.2968387546	 0.278904
+H	-2.0409467747	 0.774291979	 3.3572474606	 0.107792
+H	-2.5310101731	-0.919627591	 3.1125728012	 0.117951
+H	-0.2660098919	-1.4473588335	 2.176087349	 0.11187
+H	 2.051898013	 0.5812346571	 5.0880644484	 0.194002
+19
+0 5424	1.8706227	1.3602136	0.8689358	2.8762	78.6	-0.25879	0.04029	0.29908	1338.5395	0.154709	-422.513926	-422.504017	-422.503073	-422.548861	36.204
+O	 0.9398681019	 1.2396299826	-0.2678032854	-0.420603
+C	 0.2288233365	 0.1618971909	 0.318146736	-0.091693
+C	-0.9729999477	 0.6280969918	 1.1179605444	-0.003883
+C	-1.8726081271	-0.3808853268	 1.8580936742	 0.099963
+O	-3.0030695703	-0.7764135082	 1.1230206345	-0.431594
+C	-2.0320830839	 0.6485197404	 3.0108823742	-0.287074
+C	-0.7249525117	 1.3325716401	 2.4974414021	-0.196839
+C	-0.5936000703	 2.7731463814	 2.5323595773	 0.30566
+C	-0.4785663409	 3.9711047417	 2.5336861599	-0.442109
+H	 1.1038622733	 1.895851317	 0.4184255366	 0.288635
+H	-0.097766357	-0.4752469108	-0.5113571669	 0.118214
+H	 0.8861170743	-0.450428005	 0.960431559	 0.07686
+H	-1.6088550771	 1.2674884713	 0.4977178932	 0.106035
+H	-1.287278878	-1.2508724157	 2.1943932784	 0.068342
+H	-3.4738233731	-1.4522958875	 1.6207775514	 0.285406
+H	-2.9010168582	 1.2844472462	 2.8271146355	 0.1234
+H	-2.0428935924	 0.2919905389	 4.0429594143	 0.102681
+H	 0.1426672159	 0.8710601576	 2.9855946737	 0.100985
+H	-0.3851729842	 5.0288260942	 2.5417377374	 0.197615
+19
+0 5425	1.4993147	1.2868177	0.7456466	3.3984	80.53	-0.26108	-0.04757	0.21350999999999998	1517.7543	0.154076	-422.567117	-422.557191	-422.556247	-422.602859	34.514
+C	 2.4696826808	 0.0219811028	 0.8997046042	-0.378573
+C	 2.3072303011	-1.1196796531	-0.10999357	-0.214852
+C	 2.5090028478	-0.6476141286	-1.5382349224	-0.019533
+C	 1.3632416487	-0.0715535663	-2.3314848448	-0.131055
+C	 1.5877979678	 1.1146868157	-3.1922359364	 0.1661
+O	 0.768706514	 1.9720477078	-3.4032327342	-0.258508
+C	 2.025926529	-1.3964936527	-2.758281847	-0.157006
+C	 1.2152609185	-2.6367749565	-2.66359933	 0.166212
+O	 1.3079376271	-3.5545947744	-3.4394634015	-0.259521
+H	 2.3369510368	-0.34061093	 1.9229388408	 0.122804
+H	 3.4660981997	 0.471653741	 0.8313578799	 0.121676
+H	 1.7345192844	 0.8136184277	 0.7233564973	 0.128862
+H	 3.0333332271	-1.9129281468	 0.1063177253	 0.116334
+H	 1.3161010472	-1.5703824937	 0.0046717101	 0.108609
+H	 3.4652351321	-0.1526419054	-1.7017285939	 0.106572
+H	 0.3688837779	-0.1399338056	-1.9001743607	 0.115059
+H	 2.6085714753	 1.1617907896	-3.6409014699	 0.072573
+H	 2.6621355928	-1.3662133648	-3.637638359	 0.116591
+H	 0.4902241718	-2.6681733667	-1.8205397977	 0.077656
+19
+0 5426	1.5279275	1.4153785	0.792955	2.1841	80.27	-0.23591	0.0456	0.28151000000000004	1452.4263	0.153741	-422.489881	-422.479532	-422.478588	-422.525577	36.67
+C	 1.6415872033	 0.4175765742	-0.2835826614	-0.237835
+O	 0.2657069012	 0.1033522557	-0.1592613663	-0.233391
+C	-0.28539731	 0.5418792042	 1.0340663946	 0.096103
+C	-1.7551178918	 0.7794149353	 1.0676205402	-0.103141
+C	-2.6183350201	 0.590142806	-0.1592424216	-0.076997
+O	-3.8115148627	 1.3556298284	-0.0966199273	-0.418792
+C	-0.7963858082	 1.9823692613	 1.1210682749	-0.296814
+C	-0.6398519077	 2.7515830629	 2.3163343359	 0.319691
+C	-0.5063155994	 3.3867020049	 3.3299850284	-0.439868
+H	 2.2308073873	-0.0388795898	 0.5249299632	 0.114583
+H	 1.9762621666	 0.0136245133	-1.241162372	 0.132835
+H	 1.8103353429	 1.50314858	-0.2668468595	 0.117065
+H	 0.1910471003	 0.146533158	 1.9321350893	 0.102864
+H	-2.2498536303	 0.5466837693	 2.0056110968	 0.111439
+H	-2.035078665	 0.8097924424	-1.0637573252	 0.10133
+H	-2.9407595657	-0.4540943909	-0.2289168941	 0.118082
+H	-3.5580862586	 2.2771818414	 0.0225866899	 0.283558
+H	-0.7095111689	 2.5292787976	 0.1847084168	 0.114175
+H	-0.3902581231	 3.9509841358	 4.2216252877	 0.19511
+19
+0 5427	1.9902102	1.2601891	0.8270802	1.5634	81.18	-0.23122	0.04931	0.28053	1412.6767	0.152995	-422.470854	-422.460478	-422.459534	-422.506452	36.393
+C	 1.3381029823	 0.0562051338	-0.1819580262	-0.235531
+O	-0.0727545797	 0.0376453876	-0.0515431875	-0.230943
+C	-0.5230490226	 0.6327600901	 1.1110720523	 0.058893
+C	-1.8899023486	 1.2516401397	 1.0811794571	 0.065769
+O	-2.5982328616	 1.2968502623	-0.105530949	-0.235885
+C	-3.2379930761	 0.067235215	-0.4149408111	-0.236477
+C	-0.6766315915	 2.1640319318	 1.1472654378	-0.311118
+C	-0.3682614758	 2.9100816063	 2.3272411888	 0.316659
+C	-0.1058873699	 3.5174829711	 3.3324958077	-0.443851
+H	 1.8248373614	-0.4806888393	 0.6451979281	 0.112553
+H	 1.5779292001	-0.4433023348	-1.1228733292	 0.131845
+H	 1.7247374691	 1.0840315194	-0.2063337854	 0.118612
+H	-0.1945442542	 0.1617650061	 2.0390966203	 0.1003
+H	-2.4942728199	 1.1575643536	 1.9849591318	 0.101247
+H	-3.9579498342	-0.2176587621	 0.3666364293	 0.104719
+H	-3.7776980098	 0.2215964192	-1.3518111796	 0.128737
+H	-2.5070025098	-0.7394375032	-0.5418835	 0.131443
+H	-0.4664114986	 2.6384541175	 0.1925732474	 0.129396
+H	 0.1240268292	 4.0627460958	 4.2137690875	 0.193631
+19
+0 5428	2.3682006	1.0302048	0.7764804	0.8056	79.16	-0.25238	0.03527	0.28765	1461.9474	0.154854	-422.508364	-422.498253	-422.497309	-422.54367	36.559
+O	-3.9916796895	 2.0295608261	-1.7976936793	-0.412784
+C	-2.7768338523	 1.3042696991	-1.710575911	-0.085041
+C	-2.805625626	 0.2572628822	-0.6211679819	-0.075375
+C	-2.4623370945	 0.6156867012	 0.7991476826	-0.051418
+C	-3.1966739537	-0.0198443731	 1.961009614	-0.09032
+O	-2.3597352852	-0.2176329045	 3.0860762745	-0.420858
+C	-1.494933437	-0.2335531805	-0.0233077594	-0.231739
+C	-1.2967799343	-1.6165141066	 0.3008121865	 0.305405
+C	-1.1200764041	-2.7680790952	 0.6058052831	-0.446554
+H	-4.147606744	 2.4396656005	-0.940286011	 0.283947
+H	-2.6456870916	 0.8308920861	-2.689303167	 0.12075
+H	-1.9152629818	 1.9746997829	-1.5543950923	 0.085668
+H	-3.575108578	-0.4995932228	-0.7456388785	 0.108353
+H	-2.114087058	 1.629658556	 0.9836584797	 0.09509
+H	-4.0053738977	 0.6391780063	 2.2953498586	 0.10854
+H	-3.6572426069	-0.9629321583	 1.6327174108	 0.099228
+H	-1.7063846605	-0.8796073498	 2.8307154794	 0.289261
+H	-0.6015522987	 0.2804079094	-0.368429968	 0.116239
+H	-0.9665454162	-3.791414589	 0.8445786792	 0.20161
+19
+0 5429	2.3613165	1.1267043	0.8093877	0.6518	78.62	-0.25368	-0.0328	0.22088000000000002	1408.1659	0.154124	-422.576658	-422.566986	-422.566042	-422.612123	34.023
+C	 2.8636487577	 1.4576159369	-0.1153216663	-0.388622
+C	 2.0425109244	 0.1819804997	 0.1046226957	-0.203876
+C	 1.8309631136	-0.6058023637	-1.1846141332	-0.105898
+C	 0.943882001	-1.9075364791	-1.1775586546	-0.105269
+C	 0.2678394509	-1.4449837227	-2.5101982474	-0.370109
+C	 0.8704441043	-0.056225336	-2.2540972151	 0.396019
+O	 0.5974203636	 1.0472476526	-2.6262408382	-0.290652
+C	 1.7028174161	-3.2015902896	-1.2387174265	 0.160554
+O	 1.6136151495	-4.1026812966	-0.4466126768	-0.248579
+H	 2.978890673	 2.0121636382	 0.8205145483	 0.117535
+H	 3.8662380792	 1.2221041558	-0.4893051608	 0.114783
+H	 2.3761724886	 2.1097917592	-0.8445573247	 0.148986
+H	 2.5362395713	-0.4666898824	 0.8385218647	 0.111909
+H	 1.0637860974	 0.43946551	 0.5277620603	 0.107107
+H	 2.7976044057	-0.8250634365	-1.6633609013	 0.104186
+H	 0.2494325325	-1.92387897	-0.3355145334	 0.104177
+H	 0.7206186415	-1.9174845164	-3.3905965637	 0.136295
+H	-0.8183255315	-1.5174421123	-2.5903884888	 0.14308
+H	 2.398168131	-3.2678092871	-2.112297238	 0.068375
+19
+0 5430	3.1179803	1.0754385	0.9124668	3.2567	77.37	-0.24119	-0.0089	0.23229	1303.2171	0.155495	-422.54939	-422.540208	-422.539264	-422.583311	34.015
+C	-3.0543518093	 0.0235132949	 1.300742335	-0.509092
+C	-1.9953790951	-0.0859562447	 0.2398429599	 0.332155
+C	-0.9661795487	 1.0302039315	-0.0404076389	-0.422201
+C	 0.1154328924	-0.0802385914	-0.1261973815	 0.430134
+O	 1.313136599	-0.0498303368	-0.1525366253	-0.320347
+C	-0.8901914546	-1.1703011403	 0.0650406787	-0.243204
+C	-2.0237667082	-0.9891004143	-0.950431147	-0.088439
+C	-3.0286225237	-2.1194952229	-1.0356707556	-0.102835
+O	-4.2645108855	-1.7030468598	-1.592453397	-0.41589
+H	-3.5737673631	-0.9241502511	 1.4690678327	 0.128345
+H	-2.6204344441	 0.3345183655	 2.2570584449	 0.132098
+H	-3.8042658459	 0.7757122773	 1.0254192765	 0.126732
+H	-1.135412759	 1.6528827784	-0.9241343987	 0.119802
+H	-0.7678705666	 1.6756989684	 0.8212322958	 0.129051
+H	-0.7408462845	-2.1216588504	 0.5632187601	 0.105268
+H	-1.7816629346	-0.5639551006	-1.9234631647	 0.098531
+H	-2.649937076	-2.8966099739	-1.7071006479	 0.124557
+H	-3.1646106115	-2.5883296952	-0.0485722231	 0.089918
+H	-4.6317727811	-1.0226211847	-1.0190931239	 0.285417
+19
+0 5431	3.2607142	1.0786048	0.9218455	4.3583	77.69	-0.235	-0.00399	0.23101	1311.3601	0.154813	-422.547242	-422.537941	-422.536997	-422.581269	34.409
+C	 2.1176267149	-1.1853744015	 1.2305413166	-0.384897
+C	 1.8797357076	-0.2323351297	 0.050942773	-0.241902
+C	 2.1327867524	-0.8979151005	-1.2907791942	-0.067819
+C	 1.4815589964	-0.214755389	-2.5148260273	-0.295891
+C	 1.8990211025	-0.9131455928	-3.7623460526	 0.430597
+O	 2.2517549447	-0.5387562166	-4.8464282607	-0.323786
+C	 1.4965698933	-2.3150782622	-3.2241940392	-0.416944
+C	 1.0208953471	-1.6173353353	-1.9515564262	 0.420052
+O	-0.1606532189	-2.0139245612	-1.3726671063	-0.450654
+H	 1.4617617058	-2.0613569851	 1.1791069945	 0.119209
+H	 3.149067565	-1.5522933599	 1.2333095005	 0.128023
+H	 1.9381699314	-0.6835214112	 2.1857674424	 0.122568
+H	 0.8559924073	 0.1658211435	 0.0868747626	 0.095577
+H	 2.5336542858	 0.6422804882	 0.1451658156	 0.117615
+H	 3.1476182727	-1.2844602859	-1.3951160874	 0.091222
+H	 1.0809243554	 0.7884173702	-2.4252969314	 0.105148
+H	 0.6653570192	-2.7103274819	-3.8154923396	 0.139951
+H	 2.2713057443	-3.0811105849	-3.1218313226	 0.115992
+H	-0.2392446669	-1.6204853043	-0.4973414179	 0.295938
+19
+0 5432	3.237216	1.0911713	0.9295194	4.7945	76.74	-0.2669	0.00807	0.27497000000000005	1311.4312	0.155357	-422.565826	-422.55669	-422.555746	-422.599692	33.556
+C	 1.161713549	 1.1791971444	 0.1178890502	-0.381019
+C	 0.9155550538	-0.328447202	-0.0195990222	-0.221161
+C	 1.596653513	-0.9200482125	-1.237758517	-0.068346
+C	 1.8441130605	-2.4484265481	-1.2293725352	-0.359624
+C	 2.4406036571	-2.8158108196	-2.5551299531	 0.46403
+O	 2.2928986444	-3.6313708766	-3.4060282505	-0.33205
+O	 3.4058187261	-1.8138864349	-2.5085838131	-0.297154
+C	 2.9837368533	-1.4536375573	-1.1515525479	 0.454013
+C	 4.0729574444	-1.2087415422	-0.1635935673	-0.492784
+H	 0.6338688719	 1.5837307673	 0.9864172846	 0.12065
+H	 2.2271006817	 1.400071252	 0.2371191417	 0.122605
+H	 0.8092354935	 1.7172854364	-0.7681758802	 0.12551
+H	 1.2536610387	-0.8474837053	 0.8855758454	 0.100723
+H	-0.161512155	-0.5214494901	-0.0931862031	 0.114516
+H	 1.3076094156	-0.4711322611	-2.1861390589	 0.107927
+H	 1.400953186	-3.1070302078	-0.4960445231	 0.122422
+H	 4.7422235129	-2.0717870213	-0.1034055327	 0.141781
+H	 4.6660839782	-0.3367703971	-0.4590982537	 0.142692
+H	 3.6596776448	-1.0184101341	 0.8299818262	 0.135271
+19
+0 5433	3.1564552	1.1286361	0.951735	4.0415	78.03	-0.23966	-0.00732	0.23234000000000002	1279.5114	0.154574	-422.532927	-422.523638	-422.522694	-422.56697	33.881
+C	 1.4541800537	-0.0996645414	 0.0768606326	-0.243688
+O	 0.0408183338	-0.0201741717	 0.1464667456	-0.245712
+C	-0.4065594487	 0.6601387554	 1.2739319836	 0.069302
+C	-1.8872769249	 1.0029711319	 1.1792621621	-0.261109
+C	-2.3499232221	 1.5831040292	 2.4732859165	 0.427336
+O	-3.3318457672	 1.4356830889	 3.1453718534	-0.321873
+C	-1.2003287658	 2.625761991	 2.5070797046	-0.424697
+C	-0.7617933829	 2.101565091	 1.1268025415	 0.29272
+C	-0.3607507489	 2.9580491284	-0.0366797756	-0.499083
+H	 1.8689342826	-0.6128934098	 0.956641961	 0.115608
+H	 1.6956220958	-0.677660083	-0.8174595486	 0.135262
+H	 1.9173117679	 0.8935894445	 0.0008578074	 0.11423
+H	 0.0126813407	 0.2832913315	 2.211666904	 0.089191
+H	-2.4774117972	 0.5482225937	 0.3929270656	 0.115418
+H	-1.6107173857	 3.6399817905	 2.4795168077	 0.133411
+H	-0.4748576468	 2.5552488108	 3.3244172702	 0.115678
+H	-0.2141880702	 2.347215814	-0.9308508161	 0.138772
+H	-1.1250814483	 3.710965447	-0.2571136065	 0.125865
+H	 0.5752813643	 3.4898609981	 0.1722919209	 0.123368
+19
+0 5434	3.0469569	1.1567342	0.9853518	2.4805	76.22	-0.24577	0.00858	0.25434999999999997	1256.4202	0.156043	-422.527229	-422.518297	-422.517353	-422.560874	33.216
+C	-2.0298895935	-0.0551417631	-2.2305225629	-0.444719
+C	-2.1358669722	-0.0461613624	-0.7149931991	 0.02985
+C	-1.27842428	 0.9584537291	 0.1416027465	-0.195742
+C	-1.5438617365	-0.0105821766	 1.3486289765	-0.000285
+C	-0.644281839	 0.024206263	 2.5734130128	-0.125165
+O	-0.8918973166	-1.0681031711	 3.4465704191	-0.414169
+C	-1.2265742225	-0.989701191	 0.1560828832	-0.19543
+C	-0.1097998509	 0.0115922321	-0.1865016444	 0.43414
+O	 1.0308796669	 0.0374957971	-0.5307149637	-0.335834
+H	-2.5000557584	-0.9533790708	-2.6445586194	 0.124234
+H	-2.5430057546	 0.8127703239	-2.6579688455	 0.124715
+H	-0.9901073981	-0.0325389394	-2.5710069712	 0.139185
+H	-3.1777347947	-0.0712163653	-0.3816033156	 0.083396
+H	-1.318881621	 2.0461715154	 0.1354321801	 0.091098
+H	-2.5969733991	-0.0451536282	 1.6432996805	 0.088136
+H	 0.4152975648	 0.0743454031	 2.2800759141	 0.109213
+H	-0.8606767105	 0.9243387412	 3.1592934444	 0.115425
+H	-0.6127384807	-1.8725696329	 2.9977320389	 0.285738
+H	-1.2140424334	-2.0787434942	 0.1609691754	 0.086213
+19
+0 5435	3.0347225	1.1785352	1.0004247	3.8327	76.16	-0.23978	0.01586	0.25564	1250.0219	0.155791	-422.530733	-422.521831	-422.520887	-422.564322	33.284
+C	 1.2047003929	-0.7073634781	 0.9940623865	-0.378384
+C	 0.9865444963	 0.0874025928	-0.2983396303	-0.227263
+C	 1.9207076609	-0.3492304535	-1.4175391332	 0.024916
+C	 2.0601818024	 0.5150218935	-2.7237120977	-0.219448
+C	 3.3943693547	-0.2468737538	-2.9462888005	 0.145025
+O	 4.2947359681	 0.3873568807	-3.8084494144	-0.435782
+C	 3.4372279249	 0.0720951568	-1.4072694537	-0.239895
+C	 2.9088690127	 1.4538958132	-1.8378981577	 0.45125
+O	 3.0442038569	 2.6083964955	-1.5864804776	-0.327008
+H	 1.0611269618	-1.7811119596	 0.8295646566	 0.114429
+H	 2.2186505802	-0.5634087301	 1.3817997153	 0.121138
+H	 0.5028306367	-0.3930983394	 1.7720450268	 0.118924
+H	-0.0486765129	-0.0443144637	-0.6383818939	 0.102724
+H	 1.1109051964	 1.1581606716	-0.0999871042	 0.12146
+H	 1.7959061163	-1.4141844953	-1.6440540136	 0.076546
+H	 1.2955465827	 0.7449866005	-3.4623982393	 0.094031
+H	 3.2690057566	-1.313179708	-3.1713891599	 0.080012
+H	 5.15326956	-0.0402502476	-3.7272097909	 0.289942
+H	 4.2061401624	-0.1948752356	-0.6844870085	 0.087384
+19
+0 5436	3.1138405	1.2347099	1.0390196	3.6432	76.9	-0.24013	0.01539	0.25552	1222.6985	0.155417	-422.516207	-422.507266	-422.506322	-422.54986	32.878
+C	 1.5273260423	-0.1149536839	-0.2172572689	-0.246758
+O	 0.1238701868	-0.1050011089	-0.0479052028	-0.253212
+C	-0.3005330526	 0.6786020767	 1.0202350744	 0.172289
+C	-0.2216908024	 0.1049654308	 2.4862818482	-0.237515
+C	-1.3817154883	 1.1194483338	 2.7955845468	 0.020134
+C	-2.2711779197	 0.9184672967	 4.0103908462	-0.436255
+C	-1.7962916536	 0.5219927031	 1.4000400121	-0.229948
+C	-1.353881713	-0.826256727	 2.0110380519	 0.449853
+O	-1.7177668286	-1.9542201951	 2.1098537871	-0.32628
+H	 2.039656515	-0.5531872257	 0.6509267137	 0.114789
+H	 1.7400643225	-0.7225910485	-1.0989760208	 0.136195
+H	 1.9210097119	 0.9000584724	-0.3791129338	 0.108254
+H	 0.0481813098	 1.7173736592	 0.9353447847	 0.076458
+H	 0.6569170697	-0.1063290261	 3.0923474214	 0.088857
+H	-1.0483702787	 2.1586556191	 2.7097193793	 0.081034
+H	-2.6100477927	-0.117537692	 4.1040989757	 0.141271
+H	-1.7349545059	 1.1818215335	 4.928136421	 0.123026
+H	-3.1571748387	 1.5591779687	 3.9499575706	 0.123752
+H	-2.6640916737	 0.7685786431	 0.7924370233	 0.094056
+19
+0 5437	2.3578098	1.2283406	0.8668483	2.9892	77.54	-0.23695	-0.01037	0.22658	1349.0045	0.155755	-422.547408	-422.538179	-422.537235	-422.581586	33.677
+C	-2.9169268342	 2.0570995782	 1.5284164186	-0.424192
+C	-1.8910164229	 0.9965628808	 1.188840438	-0.024702
+C	-2.168353195	 0.0375858406	 0.0907128135	-0.046517
+C	-1.1343794571	 1.18233545	-0.1304590336	-0.183408
+C	-0.0684617918	 0.1451063835	-0.2592587763	 0.407122
+O	 1.0672148786	 0.1569905521	-0.6470119411	-0.330023
+C	-1.0594643832	-1.0254612173	 0.0195268952	-0.179311
+C	-1.1399278239	-1.9827448548	-1.1694272821	-0.077731
+O	-2.2626561532	-2.8482043461	-1.099105816	-0.420383
+H	-3.6489367614	 1.6702201994	 2.2449945585	 0.127125
+H	-2.442833367	 2.9375187279	 1.9736656167	 0.128983
+H	-3.4613471709	 2.3830429868	 0.6364306252	 0.122452
+H	-1.3232110994	 0.6350944377	 2.045109706	 0.093122
+H	-3.1347415583	-0.0580436122	-0.3867614392	 0.1131
+H	-1.2096485691	 2.1122527089	-0.6813064223	 0.105949
+H	-0.8948233103	-1.5875012403	 0.9481075548	 0.079423
+H	-1.2643021707	-1.4148338985	-2.0976840704	 0.116307
+H	-0.1954581198	-2.5384954463	-1.2519079434	 0.109922
+H	-2.1417300104	-3.4291920406	-0.3410517223	 0.282764
+19
+0 5438	2.3614962	1.3054611	1.0121607	4.3492	76.45	-0.23518	-0.00553	0.22965	1248.6469	0.155607	-422.546625	-422.537502	-422.536558	-422.580705	33.589
+C	 1.1414445191	-0.1894025779	 1.2673229541	-0.38917
+C	 0.8968104158	 0.198308075	-0.1943337228	-0.19117
+C	 1.7104225897	-0.6360854726	-1.1852132849	-0.114909
+C	 1.2027612435	-2.0660444061	-1.4683399314	-0.128215
+C	 2.0030099672	-2.6926557474	-2.5529738046	 0.095609
+O	 3.3456491527	-2.3784237035	-2.7846278251	-0.41365
+C	 0.9422155776	-1.7150180734	-2.9825694841	-0.222168
+C	 1.3613285641	-0.3098186165	-2.6594058556	 0.432791
+O	 1.2383932003	 0.7300486836	-3.2426047193	-0.33156
+H	 0.8711876799	-1.2336033909	 1.4590403672	 0.113052
+H	 2.1961827064	-0.066315921	 1.5364248243	 0.117298
+H	 0.5491460705	 0.4347158128	 1.9435198221	 0.118299
+H	-0.1709475163	 0.1067746867	-0.4312817034	 0.099635
+H	 1.1544091061	 1.2515823019	-0.3512430965	 0.12008
+H	 2.7777279439	-0.5820723534	-0.9481716452	 0.088934
+H	 0.5478524451	-2.6301898585	-0.8156752786	 0.104201
+H	 1.7369044175	-3.7246724091	-2.7864964517	 0.100711
+H	 3.8790454101	-2.85523427	-2.13913176	 0.289951
+H	 0.1477504368	-2.0021229198	-3.6610009547	 0.110284
+19
+0 5439	2.0570867	1.4784787	0.9634825	4.1576	77.83	-0.23756	-0.01326	0.2243	1270.414	0.155136	-422.531871	-422.522628	-422.521684	-422.566168	33.313
+C	 1.5056060101	-0.0355492558	-0.1626725493	-0.238445
+O	 0.1113308886	-0.1727839135	 0.0237248788	-0.235755
+C	-0.3719840661	 0.5154785939	 1.1382994893	-0.016682
+C	-0.1717918787	-0.0884747717	 2.5431866517	-0.096725
+C	-0.8134572557	-1.4282120731	 2.6068398202	-0.004707
+C	-0.6410142973	-2.2768470558	 3.8481811521	-0.427897
+C	-1.7133952671	-0.1954813077	 2.7339136966	-0.195713
+C	-1.9117049701	 0.4101742817	 1.3831865267	 0.387722
+O	-2.8575738478	 0.8233022866	 0.7762472034	-0.315329
+H	 2.0757247909	-0.4528765144	 0.6802898871	 0.110019
+H	 1.7652809083	-0.5838321146	-1.0708907659	 0.133692
+H	 1.7914379469	 1.0200942322	-0.2872954657	 0.109648
+H	-0.0851391469	 1.579832992	 1.1088339136	 0.090715
+H	 0.5334875251	 0.2623932143	 3.2859251621	 0.099217
+H	-0.8694752439	-1.9914274274	 1.6790211561	 0.113558
+H	-1.4778061059	-2.9719005977	 3.9691212663	 0.130563
+H	 0.2790813714	-2.8673479852	 3.7856704699	 0.126881
+H	-0.583361857	-1.6598772652	 4.7507785024	 0.119749
+H	-2.3184784747	-0.0389765685	 3.6183209445	 0.109487
+19
+0 5440	3.5282252	0.9663961	0.8101972	2.6265	77.21	-0.24096	-0.01209	0.22887000000000002	1421.0414	0.155721	-422.547649	-422.538441	-422.537497	-422.58178	33.652
+C	-0.9615254443	-1.9957099984	 1.1096338903	-0.410717
+C	-1.0290083552	-1.0006243251	-0.0459813285	-0.131633
+C	-2.1716599479	 0.0362995868	-0.0038759907	-0.070236
+C	-2.0235237752	 0.9978157437	-1.1247026009	-0.055888
+C	-3.1026225079	 2.0331055906	-1.3637509971	-0.09267
+O	-2.626364097	 3.1701774374	-2.0600249547	-0.413869
+C	-1.1612435454	 1.2086185126	 0.1255991786	-0.194905
+C	-0.0565879907	 0.198990671	 0.1621171011	 0.414502
+O	 1.1027833183	 0.2501565118	 0.4643268898	-0.326614
+H	-1.7436339011	-2.7559630992	 1.019689511	 0.119496
+H	 0.0094173823	-2.4982794887	 1.1168861668	 0.140081
+H	-1.0845226769	-1.4921702926	 2.0742935162	 0.12229
+H	-0.9338263522	-1.5196232084	-1.0064608187	 0.093473
+H	-3.0875958881	-0.0783610311	 0.5624297337	 0.104833
+H	-1.5311692707	 0.6646657035	-2.0366958246	 0.103168
+H	-3.8870819183	 1.6070351944	-1.9981916078	 0.120679
+H	-3.5713474721	 2.3073449058	-0.4042786316	 0.087844
+H	-1.8979632546	 3.5420900106	-1.5513692914	 0.285948
+H	-1.2187532531	 2.1291079254	 0.6962179588	 0.104216
+19
+0 5441	3.043055	1.0611953	0.8812126	4.3292	77.51	-0.23629	-0.01276	0.22353	1359.7984	0.155366	-422.546564	-422.537272	-422.536328	-422.580865	33.842
+C	 1.5495837829	-0.2105321718	 1.1021105666	-0.376487
+C	 1.0283780099	 0.1667672573	-0.289659478	-0.219202
+C	 1.7477959353	-0.5766587567	-1.3992201066	 0.000662
+C	 1.2533511718	-1.9136949551	-1.8222366851	-0.095342
+C	 1.0274416535	-0.6828498388	-2.7460166248	-0.208808
+C	 1.9615918718	-1.2796599155	-3.7480057525	 0.401362
+O	 2.2748292181	-1.0123142826	-4.872375027	-0.31546
+C	 2.2247787912	-2.5297346849	-2.8458326184	-0.032279
+O	 3.5639417121	-2.7450902205	-2.4851981338	-0.418997
+H	 1.4069983968	-1.2772912927	 1.3034506341	 0.117291
+H	 2.6196125988	 0.0038654486	 1.193239065	 0.122434
+H	 1.0286341549	 0.3527069291	 1.8821216131	 0.116787
+H	-0.0480810801	-0.0364182148	-0.3523528522	 0.097948
+H	 1.1466273802	 1.2459802098	-0.4460020515	 0.109436
+H	 2.8241333531	-0.420061112	-1.4170373167	 0.110933
+H	 0.4843788555	-2.4545992017	-1.2842110518	 0.096508
+H	 0.1279416478	-0.1127824684	-2.9427621945	 0.108236
+H	 1.7832161764	-3.4055245625	-3.3444807946	 0.095545
+H	 3.6291276899	-3.5879678569	-2.0249626611	 0.289435
+19
+0 5442	3.562267	1.0155137	0.845833	2.5411	78.22	-0.23521	-0.00914	0.22607	1390.8665	0.154863	-422.530928	-422.521641	-422.520696	-422.565115	33.537
+C	 1.4457149247	 0.1103023446	-0.0369320028	-0.242434
+O	 0.0347577451	 0.0609314106	 0.0878223137	-0.245944
+C	-0.4380850862	 0.7022101329	 1.2197044293	 0.111612
+C	-1.7667120931	 0.2724340692	 1.6856763629	-0.108906
+C	-0.5046470059	-0.1795020165	 2.4872393267	-0.219509
+C	-0.9921511925	 0.6245095598	 3.643958921	 0.412364
+O	-0.6868907312	 0.6921747097	 4.8027884069	-0.329754
+C	-2.2242672373	 1.1647890515	 2.8569679333	-0.132142
+C	-3.54496626	 0.7844773066	 3.521823924	-0.407988
+H	 1.9437678872	-0.4011892982	 0.7980498437	 0.117598
+H	 1.6997285012	-0.3928401216	-0.9718632532	 0.134647
+H	 1.8082529745	 1.1475458939	-0.0778756426	 0.114842
+H	-0.1280759351	 1.7467403562	 1.3092551413	 0.09549
+H	-2.4069201388	-0.3613961389	 1.0862880624	 0.114109
+H	 0.0258182777	-1.1235873941	 2.4968146267	 0.112288
+H	-2.198564705	 2.2396989477	 2.6411029196	 0.091239
+H	-3.6451910555	 1.3029988075	 4.4791082201	 0.138814
+H	-4.3962823357	 1.0556292714	 2.8899329133	 0.119888
+H	-3.5936122242	-0.2919195423	 3.7167769434	 0.123786
+19
+0 5443	4.6826121	1.0859714	1.0591007	1.4043	75.27	-0.23822	0.08632	0.32454	1203.8585	0.157636	-422.492281	-422.484635	-422.48369	-422.524488	29.797
+C	 1.4384542435	-0.0404327252	 0.0094446256	-0.236762
+O	 0.029751072	 0.0138578341	 0.1099357288	-0.255292
+C	-0.4017876107	 0.6616358378	 1.2637362806	 0.109152
+C	-0.5973131507	 2.1639909893	 1.1741543073	-0.108731
+C	-1.7919340075	 1.2123063017	 1.1777083611	-0.110455
+C	-2.4269899027	 1.6730508334	 2.5064699827	 0.045556
+C	-2.4173477697	 3.2201957856	 2.3722067753	-0.215042
+C	-0.9035873569	 2.8959333752	 2.4970549245	 0.046052
+O	-1.2739204249	 1.8025802187	 3.3962768456	-0.291703
+H	 1.8841270817	-0.572699642	 0.8632324137	 0.10868
+H	 1.6752666803	-0.5826593608	-0.9089061077	 0.126119
+H	 1.8821869963	 0.9645769972	-0.040162081	 0.106724
+H	-0.0470900452	 0.2288598912	 2.1966212107	 0.107238
+H	-0.280141955	 2.701450659	 0.2893864885	 0.095061
+H	-2.394947059	 1.0163725943	 0.300419045	 0.100759
+H	-3.2544202831	 1.1056443831	 2.9314998008	 0.085339
+H	-2.7876814591	 3.6747223188	 1.4495926403	 0.095766
+H	-2.810070531	 3.714533488	 3.2623799289	 0.108567
+H	-0.1691114084	 3.5840153004	 2.9149192692	 0.08297
+19
+0 5444	4.5527603	1.0356264	1.007009	1.3042	74.78	-0.2522	0.07653	0.32872999999999997	1232.7667	0.158386	-422.508643	-422.500982	-422.500038	-422.541008	30.008
+O	 1.2804886307	 0.8044908326	-0.0525929042	-0.415731
+C	 0.3252344355	-0.0395709512	 0.5762102442	-0.100618
+C	-0.9081962161	 0.70209306	 1.0393790734	-0.052081
+C	-1.9444903118	 1.0726944582	 0.0096869014	-0.053978
+C	-2.2327961396	-0.0236227318	 1.0210440677	-0.083835
+C	-3.4043345896	 0.6656708469	 1.7591243487	 0.044405
+C	-4.2926507292	 1.1665961645	 0.5872616903	-0.216256
+C	-3.0362189555	 2.070960229	 0.4583425014	 0.040873
+O	-2.9361671981	 2.0392785596	 1.915711794	-0.287528
+H	 1.5188241287	 1.4932996342	 0.5761362193	 0.281399
+H	 0.0585276987	-0.7891893899	-0.1771108753	 0.102084
+H	 0.7719659052	-0.5801302382	 1.4261243828	 0.089138
+H	-0.7478129681	 1.4033140598	 1.8533900014	 0.09873
+H	-1.7698354194	 0.8896202622	-1.0435137414	 0.095316
+H	-2.2960560479	-1.0744648845	 0.7642525438	 0.088945
+H	-3.7977458097	 0.222893234	 2.6739640256	 0.082909
+H	-4.5318395661	 0.4765535049	-0.2262996888	 0.094743
+H	-5.1705949935	 1.7153189901	 0.9326836124	 0.107986
+H	-3.0514348141	 3.0753307797	 0.0358509632	 0.083498
+19
+0 5445	3.8745598	1.1271681	1.0767839	0.8203	74.91	-0.23932	0.06313	0.30245	1197.7087	0.15679	-422.471313	-422.463317	-422.462373	-422.503942	30.454
+C	 1.4366571258	-0.0325077477	 0.0790195202	-0.240032
+O	 0.0266017281	-0.0057363089	 0.1873360895	-0.256151
+C	-0.4169562573	 0.7267806613	 1.2857193055	 0.109655
+C	-1.8131959442	 1.2318516201	 1.1219366735	-0.120331
+C	-0.6105386939	 2.2056119366	 1.0552592174	-0.109289
+C	-1.1223309793	 2.8877807772	 2.3366193138	 0.09898
+O	-0.6284913835	 2.3633270461	 3.6000259135	-0.302703
+C	-1.813355129	 1.5388598998	 3.7675912601	-0.108292
+C	-2.346046728	 1.9530039704	 2.3799048315	-0.083027
+H	 1.9008343739	-0.4872066964	 0.966844419	 0.110587
+H	 1.6791949379	-0.6380189795	-0.7971850487	 0.127065
+H	 1.854841519	 0.9757048516	-0.0510026932	 0.109922
+H	-0.0339064919	 0.3764001658	 2.2434854996	 0.102834
+H	-2.4222704408	 0.8558968413	 0.3094668521	 0.099943
+H	-0.1692320971	 2.6973802096	 0.196763459	 0.089237
+H	-1.1792669318	 3.978824251	 2.3271487327	 0.080703
+H	-1.5696977036	 0.4820565204	 3.9256770339	 0.104787
+H	-2.4252757093	 1.8976449968	 4.604297149	 0.102666
+H	-3.366241595	 2.3252239244	 2.3048124915	 0.083445
+19
+0 5446	3.733764	1.0731121	1.0285863	2.7145	74.36	-0.24934	0.06051	0.30985	1225.308	0.157754	-422.488879	-422.480978	-422.480034	-422.521395	30.552
+O	 1.6269436107	 0.5154741441	-0.1953731465	-0.417786
+C	 0.3890712494	 0.1537107957	 0.3968641621	-0.097662
+C	-0.5326905544	 1.3385506857	 0.5845165867	-0.046302
+C	-0.3729838747	 2.1196100813	 1.8666125188	-0.09601
+C	-1.6005618951	 1.2201161796	 1.6308435018	-0.083618
+C	-2.4958363596	 2.4796092158	 1.643947995	 0.099577
+O	-2.7271975463	 3.1345187182	 0.3713560097	-0.2975
+C	-1.6592435267	 4.0885383443	 0.6212684831	-0.109196
+C	-1.2771740474	 3.3738180129	 1.933225426	-0.084424
+H	 2.0152753142	 1.2065000478	 0.3513554006	 0.280465
+H	-0.0635724737	-0.5702781451	-0.2886874508	 0.116546
+H	 0.5388079072	-0.3602717723	 1.3612623871	 0.081676
+H	-0.7725230388	 1.8564069138	-0.3388304416	 0.111895
+H	 0.4677923989	 1.9433957067	 2.5290154409	 0.084961
+H	-1.8552530402	 0.2705748205	 2.0878077645	 0.084958
+H	-3.3909214611	 2.4355598769	 2.2685194082	 0.081089
+H	-0.9158089099	 4.1046731912	-0.183890167	 0.106141
+H	-2.0620686953	 5.098914039	 0.7626498364	 0.10324
+H	-1.1915788571	 3.9656928439	 2.8428095649	 0.081949
+19
+0 5447	4.9010182	0.9927459	0.950752	2.0154	76.17	-0.25045	0.0701	0.32055	1285.6002	0.156336	-422.47175	-422.463474	-422.46253	-422.504715	31.313
+C	 1.4153361875	 0.045803315	-0.1086170298	-0.240022
+O	 0.0095849463	 0.1139164908	-0.0178102675	-0.255229
+C	-0.4442797534	 0.6389527728	 1.1988982188	 0.147899
+C	-1.9485454544	 0.9036772417	 1.2562166336	-0.094813
+C	-1.761654351	 2.0221401391	 2.3406318685	-0.109029
+C	-2.6243435543	 3.0053949289	 1.5217586826	 0.149454
+O	-2.4658855457	 4.3905480445	 1.6811231273	-0.44752
+C	-1.8226269635	 2.2438010441	 0.4472964395	-0.092099
+C	-0.538456316	 2.1726706235	 1.3609509758	-0.122392
+H	 1.8442817053	-0.5756220521	 0.6931701781	 0.104982
+H	 1.6580636475	-0.4071472559	-1.0727433835	 0.128321
+H	 1.8819979438	 1.0410465775	-0.0583026423	 0.105288
+H	-0.0049000899	 0.0921932734	 2.0491345155	 0.059318
+H	-2.773296658	 0.1932484645	 1.2001332096	 0.077332
+H	-1.7073780506	 1.8681451528	 3.4192855848	 0.073275
+H	-3.7033023403	 2.821748512	 1.5378709438	 0.084053
+H	-1.5245615553	 4.5939143287	 1.6519416903	 0.280843
+H	-1.838516046	 2.3436477301	-0.6368919923	 0.082587
+H	 0.2654073778	 2.9079481684	 1.4279222772	 0.067751
+19
+0 5448	5.4686931	0.9050452	0.8942858	0.1561	75.28	-0.25666	0.05858	0.31524	1330.2365	0.156884	-422.481572	-422.473308	-422.472364	-422.514454	31.704
+O	 1.3624585404	 0.5432112619	-0.014127635	-0.419476
+C	 0.3624134739	-0.1937557083	 0.6777243928	-0.094568
+C	-0.8485176962	 0.6564420948	 1.0214743007	-0.028979
+C	-0.7802176769	 1.6319373894	 2.2231980794	-0.064322
+C	-2.3325429197	 1.5790265478	 2.4322490538	-0.097417
+C	-2.1620360793	 1.2895297324	 3.9362781887	 0.148077
+O	-3.1695690783	 0.6238478302	 4.6509139616	-0.447867
+C	-1.0154270112	 0.4937392205	 3.28039505	-0.104772
+C	-1.8953810806	 0.12302796	 2.024026825	-0.094492
+H	 1.6553534862	 1.2523962724	 0.5670107529	 0.282694
+H	 0.0703738733	-1.0013714437	-0.0032802711	 0.108246
+H	 0.7715031787	-0.6672242336	 1.5842961407	 0.084326
+H	-1.2669601881	 1.0954942424	 0.1073770531	 0.072611
+H	-0.1569967754	 2.516529829	 2.3689387064	 0.070044
+H	-3.0684984445	 2.1951199356	 1.913240905	 0.074115
+H	-1.8619379459	 2.1394401851	 4.5573583464	 0.083953
+H	-3.461719573	-0.1335743805	 4.1320305863	 0.282034
+H	-0.2552322528	-0.1296395115	 3.7518284921	 0.076808
+H	-2.5454251105	-0.7477938138	 1.9155122214	 0.068987
+19
+0 5449	3.1170044	1.2373564	1.1393242	2.3402	74.43	-0.22969	0.06826	0.29795	1159.6652	0.156035	-422.493812	-422.485282	-422.484338	-422.527028	32.342
+C	-1.5236421889	 3.0466845849	 2.5479085924	-0.506142
+C	-1.5390404927	 1.5760193925	 2.3102315566	 0.480082
+O	-2.1407547092	 1.0704833795	 1.110536621	-0.325114
+C	-2.0768365856	-0.2481531231	 1.7281140551	 0.030978
+C	-1.9096419378	 0.3993477196	 3.1485740456	-0.201076
+C	-0.4471022039	 0.5667935294	 2.7306054323	-0.194885
+C	-0.559266512	-0.5914478984	 1.7280451149	-0.000358
+C	 0.213306826	-0.5543497094	 0.4170406906	-0.098128
+O	 1.6191725946	-0.6518999868	 0.6218188845	-0.423153
+H	-1.085681301	 3.2677026107	 3.5258077927	 0.127374
+H	-0.9271994075	 3.5568542252	 1.7839029945	 0.132587
+H	-2.5378822306	 3.456838713	 2.5220201915	 0.134216
+H	-2.8470909955	-0.9302056011	 1.3741565755	 0.085272
+H	-2.3912501873	 0.2730044325	 4.1081192695	 0.099787
+H	 0.3885852249	 0.8429340073	 3.3623782419	 0.086921
+H	-0.3931688732	-1.5408153801	 2.2480350581	 0.082369
+H	-0.0560343239	-1.4189064409	-0.200727034	 0.103756
+H	-0.0538223727	 0.3507880263	-0.1431854917	 0.103628
+H	 1.8996996263	 0.149657689	 1.0745574191	 0.281887
+19
+0 5450	4.5662165	1.0924209	1.0054842	2.0052	75.67	-0.23195	0.0752	0.30715	1222.9822	0.156255	-422.490028	-422.481723	-422.480778	-422.522658	32.009
+C	 1.4565057585	-0.0189212315	-0.1103064024	-0.239738
+O	 0.0685028972	-0.1066618863	 0.1179293398	-0.25545
+C	-0.3651428696	 0.6560391597	 1.2181695533	 0.166906
+C	-1.8521132081	 0.4437102188	 1.4385876479	-0.134538
+C	-1.6025330964	-0.6953224774	 2.4163854648	-0.157613
+C	-0.1749379078	-0.0407275917	 2.6035935012	-0.117057
+C	-0.7945412825	 0.975983242	 3.6063190939	-0.305103
+C	-2.1195955074	 0.6284489478	 2.9324928727	 0.383506
+O	-3.3921974418	 0.9858837629	 3.3242556238	-0.462444
+H	 2.0458770675	-0.4166497017	 0.7296223222	 0.103515
+H	 1.675836987	-0.6119318041	-1.0014325935	 0.126791
+H	 1.7740783911	 1.0205998537	-0.2886801892	 0.103979
+H	 0.0157944682	 1.6878996257	 1.1348611528	 0.054289
+H	-2.6579477926	 0.5428004996	 0.7234536649	 0.09576
+H	-1.9784833661	-1.7065026378	 2.4494738186	 0.094384
+H	 0.7426540939	-0.572509448	 2.8435484309	 0.075362
+H	-0.7574869543	 0.6043413439	 4.6360839689	 0.089924
+H	-0.4343955884	 2.0112128569	 3.5732246146	 0.09231
+H	-3.5656823083	 0.5842463375	 4.1829073148	 0.285219
+19
+0 5451	4.794997	1.0983967	1.0221436	0.6527	75.68	-0.22244	0.08222	0.30466	1230.7003	0.15538	-422.478305	-422.469766	-422.468822	-422.51134	31.996
+C	 1.4516500818	 0.064199376	-0.081425845	-0.238471
+O	 0.0761599112	-0.1528830567	 0.1500059714	-0.251098
+C	-0.4446739906	 0.6428943786	 1.1853000268	 0.152916
+C	-1.9125410192	 0.3177030122	 1.4125555338	-0.208828
+C	-1.5623804671	-0.7640872832	 2.4414501412	-0.183298
+C	-0.2330322321	 0.05198162	 2.6168420667	 0.011002
+O	-0.8983755935	 1.0217422907	 3.4685733792	-0.328091
+C	-2.1341392905	 0.5249022059	 2.921932274	 0.470347
+C	-3.4177725778	 0.903164349	 3.5763887002	-0.505305
+H	 2.0705801494	-0.2004975171	 0.7887693826	 0.105677
+H	 1.7405260818	-0.5712941455	-0.9217963846	 0.128453
+H	 1.6575470336	 1.1138853045	-0.3414013241	 0.108649
+H	-0.1497410147	 1.6963132081	 1.0619583088	 0.065261
+H	-2.7170621983	 0.3281453485	 0.6884085815	 0.09303
+H	-1.8441955188	-1.802315528	 2.5435093697	 0.099683
+H	 0.7306703953	-0.2880829416	 2.9901616985	 0.084916
+H	-3.4105691764	 0.6218081989	 4.6339454255	 0.133053
+H	-3.585990692	 1.9831085163	 3.5076209654	 0.133997
+H	-4.2550286621	 0.3956313537	 3.0882514883	 0.128103
+19
+0 5452	4.5416676	1.0545836	0.9700069	1.625	75.07	-0.23065	0.07189	0.30254	1236.175	0.156768	-422.504844	-422.496525	-422.495581	-422.537467	32.361
+O	 1.6257495253	 0.8649910778	-0.1104162219	-0.426228
+C	 0.2825397416	 0.4904333945	 0.1729062952	-0.100132
+C	-0.6135075321	 1.1929366422	-0.8287377277	 0.017321
+C	-2.0935869503	 1.1699678021	-0.4513726708	-0.115506
+C	-1.9883642321	 2.4950349021	 0.2923257495	-0.174436
+C	-0.7082477494	 2.7327643645	-0.6103824758	-0.056348
+C	-1.642509668	 3.2138264447	-1.7591592905	-0.306807
+C	-2.7300997231	 2.4361053974	-1.0256581604	 0.383083
+O	-4.0878976262	 2.4282236349	-1.2685166364	-0.464541
+H	 2.2003716282	 0.4224249326	 0.5206007064	 0.285552
+H	 0.1496867893	-0.6006042075	 0.0902446614	 0.082255
+H	-0.0073468969	 0.7811619846	 1.1953721271	 0.084796
+H	-0.3414938916	 0.8755962	-1.8432517383	 0.068361
+H	-2.7245953954	 0.3249103073	-0.2038477502	 0.086916
+H	-2.2783510294	 2.7911467054	 1.289578782	 0.088932
+H	 0.1748598492	 3.3013340536	-0.3322759066	 0.083213
+H	-1.8214308787	 4.2932463539	-1.7070577549	 0.086383
+H	-1.3781881381	 2.9292707307	-2.7843725775	 0.092619
+H	-4.4217336023	 3.3220410094	-1.1336572504	 0.284566
+19
+0 5453	3.392457	1.261507	1.1056599	2.7399	75.04	-0.24202	0.07952	0.32154	1155.6978	0.156834	-422.495807	-422.487567	-422.486623	-422.528678	31.473
+C	 1.3238193727	-0.0457425685	-0.1517821396	-0.239571
+O	-0.0665783081	 0.1166044787	 0.0143782305	-0.249023
+C	-0.4194834334	 0.6808688998	 1.2490476701	 0.16543
+C	-0.220355936	 2.1763837284	 1.5265635441	-0.119373
+C	-1.4116916399	 2.9177828194	 0.9241913452	-0.114415
+C	-1.5399925292	 2.2256874222	 2.2674665699	-0.121491
+C	-1.9261616612	 0.9330182496	 1.4350991214	-0.169054
+C	-2.3110108659	 1.8754162548	 0.254771575	 0.166413
+O	-3.6737133479	 2.2349806736	 0.2192182802	-0.447614
+H	 1.7544325471	-0.6885163664	 0.632406567	 0.103176
+H	 1.4839511884	-0.5200411681	-1.1227861112	 0.128472
+H	 1.8548334871	 0.9178099694	-0.1371970303	 0.107694
+H	-0.0005633018	 0.0898392283	 2.0787774399	 0.065194
+H	 0.6908737857	 2.7000966524	 1.7862459997	 0.088047
+H	-1.3639464183	 3.9799856784	 0.7176279887	 0.089735
+H	-1.7679181795	 2.5744453864	 3.263108341	 0.095005
+H	-2.603693027	 0.1349137663	 1.7306692951	 0.075964
+H	-2.058918619	 1.5308688073	-0.7499078901	 0.09968
+H	-3.8968071639	 2.611308898	 1.0794397434	 0.27573
+19
+0 5454	4.5849256	1.0195575	0.9467519	2.3176	74.27	-0.24462	0.06609	0.31071	1258.055	0.15716	-422.504476	-422.496213	-422.495268	-422.53718	31.96
+O	 1.2405433843	 0.7783705799	-0.0787281832	-0.423163
+C	 0.2576341346	-0.0690384868	 0.4992008099	-0.081953
+C	-0.9733018424	 0.6910238949	 0.9744372367	-0.021801
+C	-0.7379212124	 1.5130611374	 2.2487421734	-0.074701
+C	-2.0715484378	 1.6072914019	 2.9952685134	-0.127936
+C	-1.1876161932	 0.3817363777	 3.14175179	-0.109776
+C	-1.937047831	-0.1591656865	 1.8497080554	-0.119204
+C	-3.100981933	 0.8183712559	 2.186372771	 0.157929
+O	-4.1388727254	 0.2643148871	 2.9624384997	-0.448463
+H	 1.5714892637	 1.3583544551	 0.6140304227	 0.282672
+H	-0.025620029	-0.7720499881	-0.2917043076	 0.108541
+H	 0.6755958596	-0.6593652295	 1.330697591	 0.084403
+H	-1.4291728616	 1.2124886988	 0.1231521016	 0.071625
+H	 0.0432063029	 2.2390985619	 2.4458640678	 0.08161
+H	-2.2584065265	 2.390610019	 3.7198106371	 0.09153
+H	-0.7250675446	-0.0827720038	 3.9999884315	 0.093325
+H	-2.1584421671	-1.1981124663	 1.6092169208	 0.074221
+H	-3.5945679874	 1.3068020818	 1.3395684785	 0.083604
+H	-3.7433936337	-0.0829957703	 3.7712674602	 0.277537
+19
+0 5455	2.6666579	1.5537922	1.2554004	1.8241	73.79	-0.23385	0.05952	0.29337	1060.9268	0.155792	-422.496441	-422.487828	-422.486884	-422.529812	32.558
+C	-0.3590328331	-0.5770302947	 3.7798891929	-0.504282
+C	-1.1881543286	-0.8430595938	 2.5627019563	 0.39836
+O	-1.1507364044	-2.2364859789	 2.1044408638	-0.329637
+C	-2.4548112207	-2.0090407114	 1.5722034962	 0.096366
+C	-2.4733761653	-0.609612487	 0.9286961536	-0.153337
+C	-2.7603068841	-0.8229151004	 2.4122015464	-0.203707
+C	-1.0866867447	-0.0352612806	 1.2231813845	-0.028909
+C	 0.068293729	-0.3180759852	 0.2745589467	-0.10654
+O	 1.304514576	 0.2010021128	 0.7586563895	-0.423688
+H	-0.6898088361	-1.1965347994	 4.6184459988	 0.131985
+H	 0.694469634	-0.8050003818	 3.5855705691	 0.119995
+H	-0.4292243749	 0.4758674903	 4.0679018938	 0.130833
+H	-3.0485566398	-2.8533826879	 1.2489380029	 0.108816
+H	-3.171886516	-0.3347890498	 0.1485075569	 0.090473
+H	-3.5808549298	-0.5395387299	 3.0562131496	 0.099343
+H	-1.1517106979	 1.0358950506	 1.440846013	 0.079651
+H	 0.131806588	-1.3966477915	 0.0852728754	 0.105604
+H	-0.1165752067	 0.1785369183	-0.6853570929	 0.101824
+H	 1.6540157752	-0.4280797497	 1.3958255733	 0.28685
+19
+0 5456	2.9233758	1.5295572	1.1908852	2.1146	75.23	-0.24446	0.0863	0.33076	1084.6729	0.156589	-422.4987	-422.490493	-422.489548	-422.53139	31.733
+C	 1.3834051926	-0.0073500163	-0.0653161869	-0.23823
+O	-0.0011501818	-0.1100284674	 0.1831662498	-0.272847
+C	-0.472011876	 0.7339530373	 1.2143496483	 0.071345
+C	-0.2598644065	 0.1998382007	 2.6279068143	-0.103433
+C	-1.5089549832	 0.5962207911	 3.4352414199	-0.071236
+C	-2.4557121833	 1.3574566458	 2.5006003365	-0.28615
+C	-1.9699343967	 0.38703226	 1.4109851713	 0.384686
+O	-2.7441676094	 0.1444223072	 0.3042134487	-0.481694
+C	-1.5152640845	-0.6351534442	 2.5709432328	-0.165937
+H	 1.9805928925	-0.3315629659	 0.7987417999	 0.111816
+H	 1.61110362	-0.6573166828	-0.9136305432	 0.128243
+H	 1.6717408785	 1.024094075	-0.319243464	 0.108867
+H	-0.2062625897	 1.7802240309	 0.9923428479	 0.056455
+H	 0.673566852	-0.0330078729	 3.1233980622	 0.086744
+H	-1.4689612096	 0.645408579	 4.5152275236	 0.089423
+H	-3.500345524	 1.1674778604	 2.7611365688	 0.10849
+H	-2.3024657668	 2.4290109807	 2.3258674806	 0.088727
+H	-2.1553814208	-0.2531402503	-0.3527259029	 0.292084
+H	-1.7100552031	-1.6755516783	 2.7830569623	 0.092647
+19
+0 5457	2.9106441	1.5240298	1.1860411	1.7367	75.02	-0.22576	0.08681	0.31257	1093.1087	0.155233	-422.480897	-422.472377	-422.471433	-422.513938	32.096
+C	 1.417564391	-0.1310654534	 0.0373626321	-0.234329
+O	 0.0190989196	 0.043079971	 0.0858555665	-0.254023
+C	-0.4311887072	 0.693491817	 1.2483388115	 0.114366
+C	-0.2252817853	 2.2110543212	 1.2539700726	-0.166985
+C	-1.4854484687	 2.7477906481	 1.9477189953	 0.089011
+O	-2.2676182707	 1.6318332842	 2.3773225964	-0.33337
+C	-1.9456115235	 1.0206145693	 1.0897758731	 0.387496
+C	-2.9368624322	 0.0243412656	 0.5854463448	-0.522759
+C	-1.5362448641	 2.4317386362	 0.4988902358	-0.189405
+H	 1.7858974498	-0.6896771123	 0.9117782398	 0.106478
+H	 1.6416902309	-0.7025670302	-0.8665949367	 0.127258
+H	 1.9527043016	 0.8286930294	-0.0092395618	 0.107212
+H	-0.1469095511	 0.1279635713	 2.1489984422	 0.065219
+H	 0.692846897	 2.7803723469	 1.1892680344	 0.091095
+H	-1.5372766643	 3.6750266515	 2.502829814	 0.109828
+H	-3.0747602152	-0.7700316116	 1.3270882858	 0.131668
+H	-3.9064900465	 0.4942285474	 0.3996231006	 0.127729
+H	-2.5688040927	-0.4257606171	-0.3400357446	 0.143003
+H	-1.7950342783	 2.9882455255	-0.3903428118	 0.100506
+19
+0 5458	2.8440965	1.4203702	1.1198723	1.692	74.16	-0.23911	0.06488	0.30399	1117.2443	0.156574	-422.50808	-422.49963	-422.498686	-422.540922	32.607
+O	 1.4790057857	 0.4223982913	-0.3658359697	-0.42783
+C	 0.0922848334	 0.3185577758	-0.0685015314	-0.071014
+C	-0.7769454829	 0.2842925493	-1.3185530176	-0.09853
+C	-0.9313918314	 1.6462578252	-2.0025591398	-0.065754
+C	-2.3116094947	 1.6765641151	-2.6774919687	-0.077671
+C	-2.9888518505	 0.3355850101	-2.3991666351	-0.303564
+C	-2.3036619108	 0.4248619566	-1.0058286477	 0.376695
+O	-2.8659010932	-0.1342646812	 0.132233096	-0.47974
+C	-2.1699514335	 1.987816553	-1.207848513	-0.127863
+H	 1.6221395923	 1.2718619728	-0.7944762664	 0.280889
+H	-0.0201867986	-0.6174753795	 0.4877075192	 0.102583
+H	-0.2391787449	 1.131043734	 0.5959254995	 0.091582
+H	-0.4816957807	-0.5640681546	-1.9500424005	 0.061299
+H	-0.1492468908	 2.3229669312	-2.325575031	 0.079633
+H	-2.5218423944	 2.3714970875	-3.4797548409	 0.09019
+H	-4.0721389531	 0.452262461	-2.3050530555	 0.103394
+H	-2.7522043203	-0.5277243131	-3.0329424574	 0.085746
+H	-2.9481859204	-1.0852908985	-0.0025285412	 0.283924
+H	-2.4541032714	 2.841003264	-0.6108637988	 0.09603
+19
+0 5459	2.7884125	1.3200852	1.1111184	0.5032	74.68	-0.22787	0.07577	0.30364	1158.6048	0.156309	-422.488932	-422.480442	-422.479498	-422.522017	32.102
+C	 4.4539600665	-2.036435872	-1.2125592879	-0.535345
+C	 3.2993407086	-2.8634471027	-0.7520815619	 0.293015
+C	 2.8710885774	-4.274256965	-0.9649122102	 0.015618
+O	 2.7218781975	-4.5982383134	 0.4189384846	-0.295965
+C	 2.6247821132	-3.1665682383	 0.6509403706	-0.002947
+C	 1.2423939342	-2.7898853214	 0.0437838926	-0.035694
+C	 0.8631498737	-1.3245457351	 0.1954891786	-0.079109
+O	-0.1730555845	-0.9282262226	-0.6930193528	-0.417155
+C	 1.8921914361	-3.1307235826	-1.2968083659	-0.151303
+H	 5.3803698553	-2.3226221584	-0.7018739583	 0.128582
+H	 4.6117136293	-2.1686253101	-2.2884658959	 0.128148
+H	 4.2870789308	-0.9679759334	-1.0354565472	 0.126523
+H	 3.1917045112	-5.0430338001	-1.6561954684	 0.106306
+H	 2.9438512126	-2.8611793012	 1.6467807937	 0.083714
+H	 0.4213575867	-3.438271637	 0.3798478084	 0.063991
+H	 0.5878829202	-1.1180394294	 1.2427822788	 0.085761
+H	 1.7179182738	-0.6843327436	-0.0492536896	 0.108523
+H	-0.9501697914	-1.4590220173	-0.4897700597	 0.281898
+H	 1.5126452688	-2.9456654164	-2.2935343094	 0.095439
+19
+0 5460	2.8305201	1.3145665	1.1115494	0.9303	74.6	-0.2268	0.06721	0.29401	1170.1354	0.156124	-422.486699	-422.478351	-422.477407	-422.519584	32.157
+C	 1.6404635922	-0.0639977749	 1.2141413759	-0.380094
+C	 1.0962031802	 0.2718164219	-0.1783783007	-0.19674
+C	 1.819438765	-0.462859249	-1.3040728307	 0.017546
+C	 1.4757577559	-1.949863296	-1.4293379428	-0.154444
+C	 1.5929559869	-2.242659671	-2.9600289483	-0.028736
+O	 2.0155113108	-1.0417741802	-3.5968686091	-0.285657
+C	 1.1357575007	-0.3233199212	-2.6930649157	-0.036389
+C	 0.3368295876	-1.6807791229	-2.3846838321	 0.313502
+O	-0.9737366634	-2.0584144863	-2.3052954306	-0.450975
+H	 1.5187743611	-1.1275796574	 1.4441417958	 0.118234
+H	 2.7079665289	 0.1712703173	 1.2882404253	 0.115401
+H	 1.1190376074	 0.5050673445	 1.9899274981	 0.112681
+H	 0.0245805806	 0.037803982	-0.2216818623	 0.107103
+H	 1.1859263141	 1.352603482	-0.3522108066	 0.092552
+H	 2.8858107739	-0.2061268097	-1.3198356622	 0.070617
+H	 1.5609756819	-2.7459567952	-0.700421282	 0.0945
+H	 1.8695594706	-3.2004323909	-3.3803185084	 0.111773
+H	 0.7814071088	 0.6286208609	-3.0861453374	 0.084022
+H	-1.3326842432	-2.1117430839	-3.1992612462	 0.295103
+19
+0 5461	2.9000877	1.3725285	1.1650518	1.4088	75.6	-0.2341	0.08085	0.31495	1130.0864	0.156532	-422.487992	-422.479685	-422.47874	-422.520793	31.847
+C	 1.4251978279	-0.0563813835	 0.0761377778	-0.239926
+O	 0.0262815842	-0.1316037486	 0.233786186	-0.259367
+C	-0.4789640007	 0.7550371922	 1.2084449779	 0.156928
+C	-0.2715752309	 0.2689589857	 2.6442358021	-0.19223
+C	-1.5258195088	 0.7247491831	 3.4515076544	-0.122929
+C	-2.4222990057	 1.5034201639	 2.4883694036	-0.240896
+C	-1.985000022	 0.4753338584	 1.4121975456	-0.173324
+C	-1.56576166	-0.5076647907	 2.6062843322	 0.390104
+O	-1.9081095567	-1.7855069218	 2.9473921665	-0.454448
+H	 1.9648626304	-0.3540018249	 0.9875193871	 0.104983
+H	 1.6981425863	-0.7400934198	-0.7315810039	 0.125267
+H	 1.7483825081	 0.96036729	-0.1970432772	 0.105055
+H	-0.1906420051	 1.7902736584	 0.9643439872	 0.054866
+H	 0.6479209445	 0.0288207482	 3.1623037518	 0.087431
+H	-1.4727731549	 0.7848836202	 4.531233951	 0.091207
+H	-3.4777168916	 1.3972993601	 2.7526222156	 0.105812
+H	-2.1967680484	 2.5577199305	 2.2912194325	 0.089477
+H	-2.6011051051	 0.2390351427	 0.5477706617	 0.07849
+H	-1.4602326114	-2.3851392341	 2.3388343282	 0.293499
+19
+0 5462	2.8372058	1.3878418	1.167674	1.0703	75.27	-0.2234	0.0788	0.30219999999999997	1138.5144	0.155579	-422.474507	-422.465914	-422.46497	-422.507814	31.885
+C	 1.517427481	 0.0844233487	-0.0829554643	-0.238127
+O	 0.1157600843	 0.0549469026	 0.0845846304	-0.252947
+C	-0.3225200798	 0.7679515687	 1.2161863512	 0.150136
+C	-1.8308962775	 0.6562795702	 1.3519166079	-0.211122
+C	-2.0771477057	 0.6605646068	 2.8710370207	 0.030368
+O	-0.818987032	 0.8564074566	 3.5262103204	-0.297051
+C	-0.27234796	-0.0590033037	 2.540069166	-0.030291
+C	-1.7137952021	-0.6167759936	 2.1995920232	 0.302094
+C	-2.3163175144	-1.9774302346	 2.0960765419	-0.532728
+H	 2.0502906438	-0.3868569232	 0.7561747614	 0.105942
+H	 1.7438085475	-0.4700337983	-0.9966667722	 0.128194
+H	 1.889986519	 1.1145616758	-0.1898132854	 0.109612
+H	 0.1422674938	 1.7647365208	 1.2616419566	 0.065215
+H	-2.589316274	 0.9194339844	 0.6254494022	 0.092962
+H	-2.983248728	 1.012937401	 3.3471944845	 0.108706
+H	 0.6091191377	-0.6034694973	 2.8741101938	 0.084395
+H	-2.1968425655	-2.5422227487	 3.0274394575	 0.126175
+H	-3.3885396786	-1.9068796721	 1.883436879	 0.125194
+H	-1.8549802198	-2.5517012342	 1.2855840952	 0.133272
+19
+0 5463	2.8315551	1.304528	1.1153596	2.6771	74.82	-0.23799	0.06783	0.30582	1150.3559	0.157074	-422.501433	-422.493117	-422.492173	-422.534183	32.266
+O	 1.7283194798	 0.1703654826	 0.1330895001	-0.425001
+C	 0.3434803847	 0.0997633814	-0.1778533916	-0.08881
+C	 0.0758741551	-0.0046809081	-1.6735629397	-0.00068
+C	 0.3387956982	 1.2961903995	-2.435158921	-0.120171
+C	-0.6302034645	 1.3210623323	-3.6587188667	-0.16305
+C	-1.4538764536	 0.0377330673	-3.5907450161	-0.236162
+C	-1.4222880496	 0.2057120834	-2.0471819675	-0.153985
+C	-1.0773126778	 1.7551673954	-2.2854703456	 0.375873
+O	-1.5503211207	 2.9306225175	-1.7669665825	-0.457008
+H	 2.0601800905	 1.0056628748	-0.2104621946	 0.283015
+H	-0.0254418144	-0.8002049766	 0.326924502	 0.103903
+H	-0.2051146088	 0.9599556944	 0.2381752717	 0.096107
+H	 0.5419364754	-0.9150039284	-2.0701844267	 0.06723
+H	 1.2325134453	 1.9085300287	-2.4572149554	 0.081711
+H	-0.3965597161	 1.9395193563	-4.5161289706	 0.088318
+H	-2.457235568	 0.1826922451	-4.0020948225	 0.093109
+H	-1.0236390508	-0.8858583475	-3.9934199814	 0.093691
+H	-2.2123482863	-0.2009165166	-1.417518834	 0.07115
+H	-2.3925876684	 3.1378593883	-2.1881858777	 0.29076
+19
+0 5464	3.5504489	1.3296011	1.2833886	1.8044	72.37	-0.23846	0.08679	0.32525000000000004	1074.9042	0.158737	-422.550338	-422.542977	-422.542033	-422.582346	29.032
+C	 1.2686524273	-2.5650187103	-5.1136865341	-0.382626
+C	 1.7658498593	-2.7621179523	-3.6777824834	-0.195795
+C	 1.0751895338	-1.8498030727	-2.6643474405	 0.00931
+C	 1.4141986367	-0.3624558539	-2.7478804458	-0.180627
+C	 2.62834066	-0.2065889842	-1.8354752212	 0.038924
+O	 2.9293975957	-1.4763730992	-1.2847820573	-0.248769
+C	 1.5974126234	-1.9756532541	-1.2097029212	 0.12229
+O	 0.8756187658	-0.9678284208	-0.5102311866	-0.248307
+C	 1.2544591667	 0.1340053532	-1.3160300012	 0.02927
+H	 1.7632837306	-3.2602059084	-5.7988961221	 0.114297
+H	 0.1888794589	-2.736227495	-5.1880892365	 0.114265
+H	 1.4682545835	-1.5498316526	-5.4723224405	 0.116316
+H	 1.5983720654	-3.8061035449	-3.3806796107	 0.093392
+H	 2.8468449048	-2.59615219	-3.6277942937	 0.113718
+H	-0.0085776542	-2.0088103701	-2.6695422017	 0.082683
+H	 1.2363036583	 0.2600655326	-3.6127772538	 0.097812
+H	 3.4705470549	 0.4560339589	-1.9656273591	 0.113035
+H	 1.5593626796	-2.9283799568	-0.6884292526	 0.097238
+H	 0.8898523697	 1.0964613906	-0.9899896781	 0.113574
+19
+0 5465	3.5328287	1.3994392	1.3488672	1.8655	73.69	-0.22943	0.08715	0.31658	1038.4874	0.158857	-422.542369	-422.534973	-422.534029	-422.574367	28.926
+C	 1.5968565724	 0.2623999672	-0.0990392855	-0.240857
+O	 0.2007031191	 0.0778497444	-0.0467346813	-0.25316
+C	-0.3758182412	 0.4437784879	 1.179853752	 0.182149
+C	-1.8876406651	 0.3337884544	 1.1053465645	-0.157934
+C	-2.3750575896	 0.0694233708	 2.5322635122	-0.121643
+C	-1.1349772593	 0.0231813053	 3.4215503833	-0.236205
+C	-0.2130151327	-0.5852791705	 2.3419859652	-0.004508
+O	-0.9544891653	-1.7167395322	 1.8731423268	-0.251195
+C	-2.1766684922	-1.0750190355	 1.566322669	 0.103507
+H	 2.1332806628	-0.391559495	 0.604122854	 0.107744
+H	 1.9169370738	 0.0164079686	-1.1142320179	 0.128783
+H	 1.877137897	 1.3055934132	 0.1185964552	 0.101442
+H	-0.0276667625	 1.4421205324	 1.4888617612	 0.061403
+H	-2.4713666299	 0.8516738143	 0.3577548368	 0.094275
+H	-3.3498231397	 0.3824776928	 2.8803836463	 0.090774
+H	-0.7966334871	 1.0063342213	 3.7608174112	 0.102072
+H	-1.2527985777	-0.6371898915	 4.2851472242	 0.108068
+H	 0.7910863281	-0.8891671618	 2.6283637081	 0.0806
+H	-2.9478503909	-1.7230175658	 1.1767146346	 0.104685
+19
+0 5466	3.4496397	1.3350378	1.2821156	2.3265	72.81	-0.23223	0.07576	0.30799	1057.2712	0.159579	-422.557479	-422.550161	-422.549217	-422.589258	29.217
+O	 1.7512810381	 0.7091922745	 0.5224492665	-0.419427
+C	 0.7033729714	-0.2291895148	 0.7319280789	-0.085545
+C	-0.4515647808	 0.3508134061	 1.5441194771	-0.021943
+C	-1.1354033025	 1.5499087187	 0.8930852086	-0.101136
+C	-2.5830871523	 1.5642987144	 1.3944513709	-0.126399
+C	-2.73477211	 0.3714915866	 2.332233859	-0.22999
+C	-1.7294862581	-0.5295910025	 1.5803254934	 0.029459
+O	-2.2013524916	-0.4705835884	 0.2233020219	-0.260464
+C	-2.2401086317	 0.9376132554	 0.0636066731	 0.091786
+H	 2.1188049496	 0.9361010186	 1.3826834399	 0.279201
+H	 0.345575159	-0.5077148375	-0.2624542736	 0.127767
+H	 1.0812624577	-1.143665842	 1.2172196001	 0.080733
+H	-0.1157827742	 0.5729962205	 2.5656271686	 0.062214
+H	-0.5988097762	 2.4387722943	 0.5944676172	 0.096402
+H	-3.163834375	 2.472291053	 1.4823276904	 0.089162
+H	-2.4287141909	 0.5754613338	 3.3620312855	 0.099703
+H	-3.744324344	-0.0489014453	 2.3276255727	 0.105802
+H	-1.6320966	-1.5678560959	 1.89201505	 0.079336
+H	-2.5724945885	 1.2748740604	-0.9072435902	 0.103337
+19
+0 5467	3.7573995	1.0933633	0.9942113	0.5647	75.25	-0.23226	0.0646	0.29686	1241.4848	0.155471	-422.471816	-422.463301	-422.462357	-422.50491	32.369
+C	 5.0268345826	-2.816814138	-1.4792429206	-0.527204
+C	 4.0284151597	-2.7965339118	-0.3683791124	 0.473904
+O	 4.2375617041	-3.6608145898	 0.796241423	-0.361884
+C	 2.9953495119	-2.959757139	 1.0827677998	 0.079045
+C	 3.4637406781	-1.6008845565	 0.4759855012	-0.158981
+C	 2.2121403202	-1.4767414224	-0.4254548417	-0.053892
+C	 0.9240816273	-0.941837047	 0.1787206584	-0.089538
+O	-0.1979515115	-1.1401441069	-0.6700566964	-0.419125
+C	 2.4737515931	-3.0043824961	-0.3873574479	-0.157159
+H	 5.1003428987	-3.8198295834	-1.9104519881	 0.136886
+H	 4.7316131212	-2.1196311989	-2.2695413668	 0.132248
+H	 6.0151640218	-2.5256834816	-1.1106355008	 0.137523
+H	 2.4866207553	-3.1759370058	 2.0204933062	 0.097064
+H	 4.046627384	-0.8276962916	 0.9776962854	 0.081062
+H	 2.3873960647	-1.0098769146	-1.4013046969	 0.07605
+H	 0.7550866923	-1.3842300343	 1.1743119894	 0.083762
+H	 0.9970202786	 0.142556138	 0.3181798204	 0.110742
+H	-0.2958905546	-2.0879668141	-0.8071438879	 0.282687
+H	 1.9421313123	-3.8284910863	-0.8664282543	 0.076809
+19
+0 5468	3.3208171	1.39214	1.1639249	2.117	76.1	-0.24406	0.08226	0.32632	1107.397	0.15641	-422.478936	-422.470816	-422.469871	-422.511502	31.442
+C	 1.3342700906	 0.0948906361	-0.2088455108	-0.243126
+O	-0.0598721362	 0.1569428556	 0.0141504418	-0.268334
+C	-0.3997441482	 0.6234751098	 1.3050586039	 0.121703
+C	-1.8990802034	 0.8660099993	 1.4827774249	-0.159433
+C	-1.6566529397	 2.0106605887	 2.5235528834	-0.066633
+C	-2.5534598357	 3.0107425027	 1.7536089801	-0.304241
+C	-1.8232435881	 2.2176842576	 0.6686719139	 0.432934
+O	-1.9703324946	 2.3899542461	-0.6855957017	-0.476699
+C	-0.4787762566	 2.1521590962	 1.5033526057	-0.157108
+H	 1.8257455749	-0.5722220624	 0.5151264116	 0.110795
+H	 1.4871087396	-0.3031539564	-1.2147445429	 0.128654
+H	 1.806669894	 1.0857316874	-0.141950519	 0.112048
+H	 0.1229153041	 0.0396665269	 2.077531564	 0.062026
+H	-2.7194263267	 0.1479135337	 1.4838690109	 0.074698
+H	-1.5510398735	 1.875865833	 3.5970861217	 0.080736
+H	-3.6349149201	 2.8600332629	 1.8290647513	 0.097221
+H	-2.2983061904	 4.0710323315	 1.8451175885	 0.096644
+H	-1.4268979378	 1.7073999101	-1.1024314766	 0.287422
+H	 0.3096703077	 2.9050026911	 1.5336004492	 0.070693
+19
+0 5469	3.2889631	1.3440475	1.1286291	2.1475	75.71	-0.227	0.08531	0.31231	1134.1683	0.15506	-422.460912	-422.452445	-422.451501	-422.493907	31.941
+C	 1.6526881403	-0.3544580159	 0.0830114557	-0.239672
+O	 0.2485397163	-0.2132752678	 0.0757293792	-0.252135
+C	-0.2382321697	 0.5441547256	 1.1536206606	 0.125312
+C	-0.2435842857	 2.0859728106	 1.0261355538	-0.188696
+C	-1.5524999656	 2.1861103174	 1.8625666327	 0.072638
+O	-2.2614598872	 3.0076601204	 0.8933913806	-0.36085
+C	-1.5005152182	 2.0523471864	 0.0808244702	 0.484444
+C	-1.6041487434	 2.1147631586	-1.4071224672	-0.527728
+C	-1.7348643226	 0.8559286442	 1.0744602846	-0.189248
+H	 2.0053132053	-0.8349680894	 1.0088151299	 0.107156
+H	 1.9208300219	-0.9872059291	-0.7662553427	 0.128723
+H	 2.1655230593	 0.6135036581	-0.0190877237	 0.108044
+H	 0.1316510447	 0.1431921693	 2.1092530922	 0.065679
+H	 0.5727333804	 2.8077394734	 1.0042516172	 0.080391
+H	-1.6871226843	 2.3898655891	 2.9234119785	 0.094904
+H	-0.9874148934	 1.3268652354	-1.8460095358	 0.144819
+H	-2.6420187318	 1.9727207678	-1.7240660874	 0.1323
+H	-1.2610590376	 3.0866617962	-1.7755463166	 0.129845
+H	-2.5904670289	 0.1821429797	 1.1025645281	 0.084074
+19
+0 5470	3.2363309	1.2656073	1.0799593	2.7093	75.62	-0.25184	0.07108	0.32292	1157.8602	0.156516	-422.485924	-422.47758	-422.476636	-422.518715	32.281
+O	 1.4370825423	 0.5543391967	 0.0916793492	-0.423
+C	 0.3615819734	-0.1694773013	 0.6840246982	-0.108307
+C	-0.851754832	 0.7139673983	 0.9295723146	-0.028479
+C	-0.8913084669	 1.655027737	 2.1618506814	-0.134242
+C	-2.4551618477	 1.6450863707	 2.1915280412	-0.046766
+C	-2.5290456735	 1.2916553418	 3.6902346608	-0.327772
+C	-1.3330346208	 0.4903401926	 3.139418654	 0.395125
+O	-0.5365903558	-0.4287992762	 3.7994544081	-0.469934
+C	-2.0353548434	 0.1906937872	 1.7781017022	-0.102184
+H	 1.717891801	 1.2218825932	 0.7253720814	 0.279027
+H	 0.1077773213	-0.9543577997	-0.0378180774	 0.103589
+H	 0.6724920807	-0.6637207275	 1.6137483866	 0.106288
+H	-1.1491900532	 1.2001484101	-0.007781023	 0.068651
+H	-0.2603504829	 2.5113273515	 2.4125498565	 0.061747
+H	-3.0971946419	 2.3025083867	 1.610391642	 0.083224
+H	-2.3059345261	 2.0987354207	 4.3969043912	 0.087188
+H	-3.3978923049	 0.712725189	 4.0189760961	 0.098017
+H	-0.1372887491	 0.0051174704	 4.5615748199	 0.284121
+H	-2.7181829606	-0.6381759811	 1.5838935172	 0.073707
+19
+0 5471	3.0967205	1.261259	1.0394839	0.3622	74.93	-0.2345	0.06397	0.29847	1182.7792	0.155569	-422.468142	-422.459634	-422.45869	-422.50122	32.284
+C	 3.8435864887	-2.7201970214	 0.9721282657	-0.531354
+C	 2.4582079327	-3.1720440563	 0.6101038728	 0.295075
+C	 1.3833729502	-2.5115650031	-0.2954757206	-0.107101
+C	 0.7920125251	-1.1752455159	 0.1229729019	-0.085439
+O	-0.349158952	-0.817726461	-0.6442231671	-0.418098
+C	 0.6878765461	-3.8133680713	 0.1773234444	-0.116365
+C	 2.0262709874	-4.606784666	 0.1519769753	 0.045822
+O	 1.8924475657	-5.1309439655	 1.5060603388	-0.33225
+C	 1.3734330699	-3.7695447923	 1.5782810883	 0.040771
+H	 4.3164191523	-3.4616239322	 1.6246282602	 0.138434
+H	 4.4679478485	-2.6002949491	 0.0802263317	 0.123953
+H	 3.8285540317	-1.7610680234	 1.5007373999	 0.124283
+H	 1.6313329644	-2.4924604806	-1.3634337886	 0.074813
+H	 0.5616145797	-1.1810040605	 1.2015153034	 0.082603
+H	 1.5183925083	-0.3722700005	-0.0450504755	 0.111446
+H	-1.0124696759	-1.503889435	-0.5182975841	 0.282768
+H	-0.3008577952	-4.2131594359	-0.0505520635	 0.080067
+H	 2.4442123042	-5.2479984263	-0.6243091613	 0.094604
+H	 1.0055853184	-3.4094376436	 2.5386237582	 0.095967
+19
+0 5472	3.1380499	1.2658551	1.0507027	2.9037	74.9	-0.22684	0.0693	0.29614	1193.8236	0.15528	-422.470159	-422.461639	-422.460695	-422.503291	32.409
+C	 5.157600499	-2.8503128419	 0.0477910239	-0.380104
+C	 5.3570092003	-2.137492231	-1.2943678246	-0.195902
+C	 4.79226347	-0.7225058054	-1.3128838674	-0.101923
+C	 3.2694534766	-0.5077458186	-1.4953642985	-0.099201
+C	 3.3347654014	-0.6797698161	-3.0478656362	 0.037206
+O	 2.6179131218	 0.5559894362	-3.3313628229	-0.327563
+C	 3.4498035105	 0.8791785923	-2.1806113072	 0.000879
+C	 4.6774254403	 0.0183414941	-2.6697499876	 0.354363
+O	 5.6601063932	 0.3308191952	-3.5784016498	-0.462174
+H	 5.5883230283	-3.8561926841	 0.0317187733	 0.114569
+H	 5.6355645022	-2.2965592041	 0.8636346928	 0.114012
+H	 4.0946317844	-2.9465597052	 0.2936404549	 0.117506
+H	 6.4282837486	-2.0936487109	-1.5298848115	 0.099317
+H	 4.8965983074	-2.7272159701	-2.0973391879	 0.097979
+H	 5.2288020611	-0.1165464827	-0.5070093157	 0.059911
+H	 2.4406881399	-0.795276298	-0.8535562917	 0.090571
+H	 3.1430569205	-1.5497328847	-3.6736244904	 0.099917
+H	 3.4026992434	 1.8813729055	-1.7547616208	 0.092374
+H	 6.3009533812	 0.9136449697	-3.1563221428	 0.288262
+19
+0 5473	3.2676199	1.3991282	1.1668234	1.884	76.14	-0.23299	0.07163	0.30462	1106.7544	0.156141	-422.474929	-422.466599	-422.465655	-422.507679	31.755
+C	 1.4337052103	 0.0648161604	-0.0868662385	-0.242888
+O	 0.025974128	 0.0372145298	 0.0356304789	-0.256798
+C	-0.4346848636	 0.6252717459	 1.2203517297	 0.065599
+C	-1.946076122	 0.8762783573	 1.2658380863	-0.094077
+C	-1.802123878	 2.069834647	 2.2684569207	-0.122937
+C	-2.6521895519	 3.007615545	 1.3861805882	-0.273329
+C	-1.8472989889	 2.1655838536	 0.3744392222	-0.072581
+C	-0.5758506649	 2.1641502676	 1.2803538112	 0.366853
+O	 0.3910953559	 3.1518305541	 1.2159021067	-0.474727
+H	 1.9211631749	-0.4706983083	 0.7438036637	 0.09852
+H	 1.6880929951	-0.4374257458	-1.0232870902	 0.125784
+H	 1.8198939997	 1.0926646973	-0.1135065518	 0.119893
+H	 0.0139348328	 0.1412269577	 2.1052928835	 0.049405
+H	-2.7534494846	 0.1485096613	 1.2525453693	 0.082908
+H	-1.7551011488	 1.9862434167	 3.3555972003	 0.06654
+H	-3.7351228429	 2.8518559138	 1.4054806611	 0.091189
+H	-2.413252076	 4.0735602707	 1.4337657281	 0.102059
+H	-1.8533170071	 2.1887518028	-0.713607307	 0.084507
+H	 0.9333281921	 3.102299293	 2.0109162878	 0.284078
+19
+0 5474	3.2119703	1.3681606	1.1260595	2.4247	75.58	-0.22748	0.08154	0.30901999999999996	1129.8346	0.155077	-422.456807	-422.448275	-422.447331	-422.489941	31.889
+C	 1.5267926845	-0.3762921604	 0.0055200128	-0.24088
+O	 0.1480812964	-0.0762765468	 0.0065677415	-0.25582
+C	-0.2883755329	 0.5860268768	 1.1654478066	 0.081246
+C	-1.7825136121	 0.9192833738	 1.1554946183	-0.148785
+C	-1.5596834144	 2.1871559854	 0.2752077621	 0.055299
+O	-2.2821215126	 3.0869047365	 1.1694627961	-0.332952
+C	-1.5654887155	 2.1723371171	 2.052514881	 0.041094
+C	-0.2697092512	 2.1378581375	 1.1719787167	 0.265366
+C	 0.8552105714	 3.1314556218	 1.1898365506	-0.535564
+H	 1.8057087241	-0.9967243408	 0.8714335666	 0.106646
+H	 1.7360824464	-0.9357211081	-0.909395103	 0.12916
+H	 2.1512615125	 0.5288594568	 0.016610032	 0.109015
+H	 0.1029868638	 0.0939990946	 2.0694170124	 0.060677
+H	-2.6448010462	 0.2550025723	 1.1467245665	 0.086761
+H	-1.6625734574	 2.3209623524	-0.7997777625	 0.101445
+H	-1.6760735145	 2.2875172839	 3.1303380121	 0.093112
+H	 1.4923511219	 2.999225382	 2.0711215043	 0.119958
+H	 1.4863664983	 3.0371164061	 0.300076132	 0.12657
+H	 0.4490075873	 4.1484925792	 1.2111206839	 0.13765
+19
+0 5475	3.2840672	1.3921061	1.1717522	2.0811	75.44	-0.24562	0.06057	0.30619	1090.1481	0.157206	-422.487907	-422.479888	-422.478944	-422.520184	31.621
+O	 0.9720291236	 0.7497839646	-0.5079085363	-0.420317
+C	 0.2949359933	-0.1170366011	 0.4168854334	-0.11638
+C	-0.8942512226	 0.5979688554	 1.034129679	-0.106691
+C	-2.2015968765	-0.1512262433	 1.3905363263	-0.075869
+C	-3.0887212791	 1.1145175786	 1.0916748573	-0.090958
+C	-4.0420026964	 0.3134609052	 0.183127712	-0.27691
+C	-2.6554667236	-0.2981709774	-0.1006308229	-0.120167
+C	-1.9426966073	 1.1161333805	 0.0352588734	 0.439832
+O	-1.7488439504	 2.0676803662	-0.9398894768	-0.486463
+H	 1.3661300164	 1.4662725209	 0.0012700088	 0.287632
+H	-0.033706544	-0.9712326258	-0.1826792919	 0.116546
+H	 0.9933905975	-0.4965534899	 1.176129636	 0.093956
+H	-0.5731134844	 1.3402262516	 1.7790726922	 0.057634
+H	-2.3825672875	-0.8727897715	 2.1845807149	 0.077252
+H	-3.3046175354	 1.9163701089	 1.7995992638	 0.069765
+H	-4.7688351085	-0.3336680232	 0.6843441578	 0.088258
+H	-4.5139162674	 0.8626230592	-0.6360124571	 0.10552
+H	-2.3928682717	-1.1083210523	-0.7814028364	 0.071051
+H	-0.8813710661	 1.8747556434	-1.3223150737	 0.286309
+19
+0 5476	4.4989045	0.9525628	0.8939662	2.9564	75.37	-0.23113	0.06037	0.2915	1348.7689	0.155123	-422.480648	-422.471869	-422.470925	-422.513907	33.325
+C	 5.6647618898	-2.720469515	 2.438972986	-0.503555
+C	 4.5087328653	-2.8018797905	 1.5003206209	 0.409712
+O	 4.7530027426	-3.0980446449	 0.1140633732	-0.281647
+C	 3.8071308352	-3.9012105911	 0.8408541643	-0.06932
+C	 2.4459305804	-3.1434241999	 0.930088156	-0.111374
+C	 2.5136234003	-1.7832792818	 0.2699559321	-0.0488
+C	 1.2345672415	-0.9767515545	 0.2377039485	-0.092743
+O	 0.4313163328	-1.2793917664	-0.8922711306	-0.418225
+C	 3.1692343218	-1.9883261254	 1.6095086049	-0.163482
+H	 6.3757532725	-3.5261296562	 2.2384474613	 0.13609
+H	 6.1876368257	-1.7634506009	 2.3287237892	 0.133587
+H	 5.3252646723	-2.7994100396	 3.477015943	 0.127229
+H	 3.9641319838	-4.9737147086	 0.8478929608	 0.105784
+H	 1.5182964154	-3.6123483146	 1.2343308286	 0.090418
+H	 3.1442693557	-1.6700579073	-0.604108412	 0.119517
+H	 0.6748326805	-1.1176943855	 1.1777136841	 0.079454
+H	 1.4669899471	 0.0905020286	 0.1568157994	 0.114819
+H	 0.3079256697	-2.2342913677	-0.9076189692	 0.281713
+H	 2.8712269078	-1.4522540789	 2.5019666796	 0.090825
+19
+0 5477	3.7891511	1.0372404	0.9577245	0.7529	75.64	-0.20398	0.07907	0.28305	1289.6194	0.155007	-422.461229	-422.452531	-422.451587	-422.494323	33.383
+C	 1.4526881423	 0.0751761285	 0.0618701345	-0.23683
+O	 0.0396656137	 0.1194726268	 0.1012850355	-0.251324
+C	-0.4511504387	 0.6970767062	 1.2702215619	 0.097339
+C	-1.8395573064	 0.2497665717	 1.6059002265	-0.090784
+C	-2.4506815192	 0.9145947364	 2.8681763009	-0.165624
+C	-1.5022638116	 1.8599474796	 3.5961048919	-0.337222
+C	-1.2819847495	 0.3902469931	 3.6992249433	 0.40217
+O	-1.2268118119	-0.2082079835	 4.9422716866	-0.450416
+C	-0.6634255491	-0.262498842	 2.4274822731	-0.197993
+H	 1.8635810162	-0.5247849754	 0.8862410195	 0.109829
+H	 1.7333723034	-0.3807856622	-0.8902170753	 0.12762
+H	 1.8900322556	 1.0835353491	 0.1166553102	 0.107636
+H	-0.1089142107	 1.7198935333	 1.4245484986	 0.084991
+H	-2.4243142933	-0.2953710613	 0.8763871905	 0.098224
+H	-3.5134961279	 0.9236651018	 3.0738245802	 0.094025
+H	-0.8313396624	 2.5516105612	 3.0983755432	 0.11346
+H	-1.9483890757	 2.2665186586	 4.4993033968	 0.119416
+H	-1.5833063133	-1.1006328646	 4.8624043038	 0.284943
+H	-0.2212744414	-1.2513265674	 2.4183952482	 0.09054
+19
+0 5478	3.8396861	1.0573361	0.9713946	1.6723	75.82	-0.22298	0.06501	0.28799	1290.2915	0.154276	-422.463131	-422.454296	-422.453352	-422.496469	33.181
+C	 1.5168495361	-0.0325930285	 0.056723646	-0.236647
+O	 0.1164783552	 0.1396122821	 0.1504862309	-0.25612
+C	-0.2673576692	 0.7937593023	 1.3176401832	 0.117374
+C	-1.6886784439	 0.5270006724	 1.7038807431	-0.145332
+C	-2.0979154163	 1.3256805794	 2.9749537303	-0.065713
+O	-0.9810080707	 2.1145765977	 3.4287687731	-0.290158
+C	-1.025110081	 0.711293224	 3.7585901666	 0.41126
+C	-0.8875679497	 0.3054929087	 5.187082133	-0.502562
+C	-0.5506905065	-0.1033359466	 2.5097631028	-0.187483
+H	 1.9060486694	-0.6513937995	 0.8780366702	 0.107463
+H	 1.7160401575	-0.5312807032	-0.8945053554	 0.126989
+H	 2.0436835318	 0.9331622383	 0.0715763875	 0.110096
+H	 0.1784628044	 1.774535058	 1.4644275446	 0.112068
+H	-2.3790882655	 0.0398709724	 1.0291358824	 0.10235
+H	-3.0903209331	 1.6700619901	 3.2428404254	 0.106434
+H	-1.2433661049	-0.7196950712	 5.3332565367	 0.127712
+H	 0.1612369491	 0.3456201733	 5.5032131705	 0.131703
+H	-1.46609628	 0.9751784634	 5.8288343144	 0.13539
+H	-0.2480204329	-1.1419981829	 2.5271758648	 0.095175
+19
+0 5479	3.6637087	1.0022938	0.92303	2.7144	75.44	-0.20269	0.06887	0.27156	1314.7999	0.155633	-422.47738	-422.468655	-422.467711	-422.510583	33.635
+O	 1.4079211141	 0.757760373	-0.5438647354	-0.419689
+C	 0.1097445565	 0.3241862498	-0.1610636444	-0.118277
+C	-0.8157127228	 0.5039768834	-1.3387867008	-0.009719
+C	-2.2695558135	 0.7451727899	-1.0173737433	-0.075227
+C	-3.199477082	 0.8783624123	-2.2574671964	-0.169222
+C	-2.4687373691	 0.7950309752	-3.5899150328	-0.336683
+C	-2.3351228313	 2.0268048131	-2.7653500996	 0.403669
+O	-2.6592040399	 3.2560984465	-3.3052249856	-0.450931
+C	-1.4006612816	 1.8816365056	-1.5248020127	-0.146786
+H	 2.0151173418	 0.5499465904	 0.1725748695	 0.285538
+H	 0.11768759	-0.7362543802	 0.1374579219	 0.089183
+H	-0.2667141991	 0.9030423741	 0.6988924738	 0.079826
+H	-0.5241475633	-0.0938150498	-2.1956239325	 0.090197
+H	-2.6622639829	 0.6011745541	-0.0179219887	 0.083139
+H	-4.2759118488	 0.780828357	-2.1996318656	 0.090825
+H	-1.6584215648	 0.1029575729	-3.7935232467	 0.114964
+H	-3.1380028732	 0.9407188663	-4.4329913537	 0.118136
+H	-3.0052975078	 3.813396053	-2.5985741925	 0.283676
+H	-1.0159186622	 2.7389216333	-0.9850439245	 0.087384
+19
+0 5480	2.7149227	1.3042662	1.0152633	2.8604	75.22	-0.22509	0.06117	0.28626	1207.431	0.15504	-422.473184	-422.464325	-422.463381	-422.506585	33.334
+C	 3.9748408129	-1.6600919698	 0.5306145386	-0.503414
+C	 3.1595690973	-2.4381143762	-0.4619586106	 0.272419
+C	 1.6606764485	-2.4193088537	-0.6409307386	-0.04297
+C	 0.8573203122	-1.3174666288	 0.0022536538	-0.127782
+O	-0.3431301041	-1.1676391146	-0.7449286959	-0.418364
+C	 2.5509883754	-2.0367453554	-1.80297573	-0.153341
+C	 3.2049145278	-3.2916267365	-2.4546870982	 0.013875
+O	 2.7343827125	-4.4792447286	-1.7967935909	-0.238066
+C	 3.7663553276	-3.7043903678	-1.1747786557	-0.040618
+H	 4.0653345735	-2.2023951413	 1.4802881621	 0.122328
+H	 4.9901191336	-1.4860711588	 0.1543425164	 0.119715
+H	 3.5359345429	-0.6824819386	 0.7475204821	 0.124682
+H	 1.1351825282	-3.3660160789	-0.6940469922	 0.115664
+H	 0.6411386229	-1.5848818329	 1.0491789449	 0.08975
+H	 1.4280594765	-0.3755806382	 0.0180321214	 0.079254
+H	-0.9007975955	-0.5322398808	-0.2861677714	 0.285015
+H	 2.5106983076	-1.0596724787	-2.2667388764	 0.090236
+H	 3.567393677	-3.3941276777	-3.4702020465	 0.108321
+H	 4.6884239132	-4.2102473925	-0.911030583	 0.103297
+19
+0 5481	3.0989389	1.2281908	1.089912	0.9892	74.68	-0.22791	0.05408	0.28199	1189.3594	0.154907	-422.473296	-422.46458	-422.463636	-422.506422	33.399
+C	 1.2917049164	-0.2766750194	 1.1524884827	-0.373647
+C	 1.1092838101	 0.2637436876	-0.2712007484	-0.217573
+C	 1.9172442657	-0.5114825352	-1.2948515868	-0.07158
+C	 1.4569411396	-0.4305998563	-2.7433378069	-0.192783
+C	 2.4076501938	-1.2202165761	-3.6975200003	 0.016875
+O	 3.4928815487	-1.7931996063	-2.9448205218	-0.239406
+C	 2.2184792809	-2.4493530413	-2.9372227467	-0.059268
+C	 1.2517010241	-1.6998303928	-1.9452696592	 0.337701
+O	 0.0445840407	-2.2442599534	-1.550671933	-0.454501
+H	 0.940238466	-1.3113231167	 1.2335129211	 0.100538
+H	 2.3456326008	-0.26286709	 1.4501861939	 0.119414
+H	 0.7303054294	 0.3208603055	 1.8772745152	 0.114591
+H	 0.0477184565	 0.235414444	-0.5399037238	 0.107776
+H	 1.4139031179	 1.3171668451	-0.3036415866	 0.099631
+H	 2.9849111991	-0.5560062232	-1.1047409026	 0.105945
+H	 0.7194249818	 0.2863792227	-3.0789547424	 0.098015
+H	 2.5732047695	-1.0433940874	-4.7531596351	 0.110464
+H	 2.1684558952	-3.4910886023	-3.2332575121	 0.108539
+H	 0.1893487438	-2.7447273444	-0.7389142472	 0.289271
+19
+0 5482	3.3022171	1.2657133	1.1254293	1.0497	75.07	-0.19437	0.07129	0.26566	1155.1677	0.155186	-422.459573	-422.450948	-422.450003	-422.492499	33.224
+C	 1.4239188676	-0.0983842201	 0.0957803979	-0.250846
+O	 0.010140977	 0.0290797864	 0.0946933402	-0.269553
+C	-0.4614499832	 0.7011505517	 1.2372882691	 0.000845
+C	-1.9028068852	 1.1260273897	 1.0675432176	-0.200443
+C	-2.445879306	 1.9539367616	 2.2667459771	-0.056252
+C	-1.4601926344	 2.1927005864	 3.3834600754	-0.306031
+C	-1.3303367139	 2.9731659231	 2.1015026325	-0.10856
+C	-0.7711097187	 2.1447726413	 0.9270869456	 0.40629
+O	-0.2387449743	 2.7970680854	-0.1646531869	-0.468244
+H	 1.7678932845	-0.6933062168	 0.9541630316	 0.115274
+H	 1.6982768989	-0.616391813	-0.8261478116	 0.129451
+H	 1.9224658152	 0.8797975085	 0.1271288941	 0.121654
+H	-0.0411374557	 0.3080167904	 2.164431268	 0.077025
+H	-2.5332585806	 0.6440651804	 0.330907734	 0.096816
+H	-3.5037620068	 2.1460301997	 2.3898721237	 0.095242
+H	-1.8625887565	 2.7695914797	 4.2116107349	 0.112706
+H	-0.7322827256	 1.4532544083	 3.6964758091	 0.115751
+H	-1.4015478332	 4.0516335984	 2.0517315502	 0.099399
+H	-0.0591925291	 2.1112728488	-0.8216047725	 0.289477
+19
+0 5483	3.0543465	1.2967296	1.1167144	1.4372	75.29	-0.22098	0.06388	0.28486	1159.1149	0.154547	-422.458209	-422.449434	-422.448489	-422.491371	32.996
+C	 1.410802551	-0.0320335267	 0.0355639042	-0.240899
+O	 0.0039800905	-0.0480544231	 0.1890583818	-0.255861
+C	-0.4276997321	 0.7150683721	 1.2717766902	 0.077693
+C	-1.9070248538	 0.9753695074	 1.2596503083	-0.211048
+C	-2.354840231	 1.7475683755	 2.5333750225	 0.018825
+O	-1.2210393566	 1.9709595815	 3.3887998201	-0.245949
+C	-1.4152058725	 2.828439344	 2.2508901892	-0.045131
+C	-0.9274113652	 2.1147206217	 0.946391704	 0.259151
+C	-0.680445402	 2.8293468211	-0.347028095	-0.504045
+H	 1.9154017198	-0.4123804174	 0.9358859926	 0.112896
+H	 1.648133805	-0.6849183592	-0.8074869533	 0.1276
+H	 1.7898933354	 0.9780206168	-0.173778866	 0.111076
+H	 0.092154815	 0.5143835416	 2.2056607614	 0.109003
+H	-2.5683040369	 0.4517281779	 0.5819524509	 0.099477
+H	-3.3343558659	 1.7404630999	 2.9960076659	 0.110893
+H	-1.4574420565	 3.896690641	 2.4324711919	 0.105569
+H	-0.497882164	 2.1059243623	-1.1461743489	 0.13774
+H	-1.5395981858	 3.4442553941	-0.6403004725	 0.116863
+H	 0.1914584757	 3.4922008195	-0.2790258173	 0.116147
+19
+0 5484	3.4491304	1.2368759	1.1129196	2.16	74.95	-0.19799	0.05403	0.25202	1149.3761	0.156478	-422.479171	-422.470885	-422.469941	-422.511489	32.951
+O	 1.5940473564	 0.1853731684	-0.0121749567	-0.42275
+C	 0.2103028631	 0.5226437893	-0.2057659168	-0.146304
+C	-0.0558696467	 0.4791467602	-1.6918249988	-0.100615
+C	-1.3379460009	-0.2334645022	-2.1033733004	-0.167998
+C	-1.5401345699	-0.3076705247	-3.6439419071	-0.059276
+C	-0.4553784015	 0.3415085938	-4.4659393583	-0.307607
+C	-0.1921807851	-0.9847533581	-3.8028967862	-0.116843
+C	 0.0187055435	-0.9077956847	-2.262975686	 0.430563
+O	 0.6071870346	-1.9544723704	-1.5842882735	-0.476933
+H	 1.7751971469	 0.1802939734	 0.9332564946	 0.292729
+H	-0.4305513521	-0.1995341583	 0.3179609774	 0.103809
+H	-0.001609149	 1.5222662256	 0.1974300734	 0.101021
+H	 0.3186221335	 1.3484939251	-2.2242808519	 0.082409
+H	-2.1390035298	-0.4029051071	-1.3944788504	 0.087568
+H	-2.486015242	-0.6046106118	-4.0780643886	 0.09013
+H	-0.6141405321	 0.2757602593	-5.5391429939	 0.109596
+H	 0.041351129	 1.2581153341	-4.1682020171	 0.11448
+H	 0.0440308858	-1.8859730488	-4.3536568218	 0.094917
+H	 1.2979470063	-1.565966663	-1.0266040182	 0.291103
+19
+0 5485	3.0170882	1.514967	1.3799312	2.5748	74.42	-0.23503	0.08258	0.31761	1026.124	0.158267	-422.514983	-422.507306	-422.506362	-422.547333	29.403
+C	 1.4075419191	-0.1374665863	-0.2004478738	-0.23871
+O	 0.0104922196	-0.1745781818	-0.0152504152	-0.23769
+C	-0.4176536698	 0.5210253302	 1.1230957759	 0.138243
+C	-0.2094422952	-0.062949715	 2.5241130959	-0.126998
+C	-1.235374242	-1.1466807151	 2.8022716807	-0.080198
+C	-1.9431605763	-1.7953324536	 1.6164538729	-0.092748
+O	-2.5528934105	-0.7119767453	 0.9042811989	-0.250196
+C	-1.9599123336	 0.480584143	 1.3761292825	 0.018935
+C	-1.6556014649	 0.2889638357	 2.8799002777	-0.092983
+H	 1.9474553559	-0.6179344351	 0.6294590244	 0.106189
+H	 1.6284748436	-0.6795434582	-1.1229988302	 0.128264
+H	 1.777139433	 0.8957254078	-0.2987297937	 0.102371
+H	-0.0614349757	 1.5636458589	 1.0997888809	 0.065206
+H	 0.6719931776	 0.0493326652	 3.1447123855	 0.083307
+H	-1.1030943034	-1.7132841565	 3.7164401353	 0.092843
+H	-1.2495449269	-2.3285066202	 0.9569150889	 0.109346
+H	-2.7302472342	-2.4854384172	 1.9430349118	 0.098759
+H	-2.5499811035	 1.3263495481	 1.0274264056	 0.0832
+H	-2.0692040126	 0.8034651956	 3.7351810061	 0.092858
+19
+0 5486	3.0199178	1.5068295	1.3911706	2.122	74.39	-0.22248	0.08169	0.30417	1023.9571	0.158067	-422.512858	-422.505138	-422.504193	-422.545321	29.497
+C	 1.2998196413	-0.125383861	-0.1809794607	-0.238756
+O	-0.091005379	-0.115153084	 0.0446131874	-0.243882
+C	-0.460086458	 0.5194677833	 1.2395775723	 0.173387
+C	-0.1249545621	-0.1012499251	 2.5982508156	-0.169396
+C	-1.1164515916	-1.1992730347	 2.9343540147	 0.126401
+O	-1.7728624151	-1.8946167328	 1.904698923	-0.269511
+C	-2.5322371626	-0.9303487089	 1.1623455234	-0.067713
+C	-1.9727449275	 0.4293296401	 1.5853709062	-0.15487
+C	-1.5646226569	 0.2082862018	 3.0678870348	-0.128741
+H	 1.8378534745	-0.6843120713	 0.5986022417	 0.111936
+H	 1.4704228908	-0.6136028724	-1.1432597012	 0.127708
+H	 1.7126386935	 0.8955475109	-0.2226462482	 0.099735
+H	-0.1291639617	 1.5699918338	 1.2289177378	 0.067364
+H	 0.7995341471	 0.023573501	 3.1513628506	 0.081436
+H	-0.9100526415	-1.8154386425	 3.8014902573	 0.1038
+H	-2.3884097854	-1.1241693728	 0.0967083212	 0.123457
+H	-3.6001214294	-1.0188455677	 1.4111781001	 0.08735
+H	-2.5935687376	 1.2822839146	 1.3160612652	 0.077386
+H	-1.9279856588	 0.7153764676	 3.9505056988	 0.092909
+19
+0 5487	2.962427	1.6096134	1.3834735	2.9773	72.95	-0.24555	0.07533	0.32088	990.6709	0.159592	-422.52634	-422.518994	-422.51805	-422.55818	29.19
+O	 1.7144597468	 0.0698427354	 0.1815119207	-0.427171
+C	 0.3332086476	 0.3093879255	-0.0306567721	-0.092862
+C	-0.0275376826	 0.2467942146	-1.5186566456	-0.021742
+C	-1.4155974994	-0.2036919563	-1.9974354592	-0.110915
+C	-1.5460412444	-1.7222210598	-1.9750622151	-0.067098
+C	-0.5705317275	-2.561686085	-1.1647235533	-0.113619
+O	 0.7373476952	-2.1055222568	-1.5520160117	-0.278151
+C	 0.5613287233	-0.935890964	-2.3590412575	 0.059659
+C	-0.791739681	-1.0673116278	-3.0896782172	-0.088043
+H	 1.867666476	-0.8339486938	-0.1226578623	 0.291674
+H	-0.2884365053	-0.3942159872	 0.5426624569	 0.083088
+H	 0.1260111354	 1.3084295846	 0.3684568663	 0.102729
+H	 0.2433162817	 1.1861887645	-2.0131989589	 0.080121
+H	-2.3009689404	 0.4178967332	-2.0674797076	 0.087832
+H	-2.5352224983	-2.119820949	-2.1702944786	 0.095628
+H	-0.6952840557	-2.4585262295	-0.0799959116	 0.108296
+H	-0.6614051013	-3.6254147852	-1.418767154	 0.107585
+H	 1.4802949561	-0.7638321977	-2.9158845436	 0.089802
+H	-0.993090776	-1.1520894856	-4.1481565455	 0.093187
+19
+0 5488	3.5628624	1.2905451	1.1181745	2.6208	73.95	-0.22518	0.07404	0.29922	1118.6335	0.158428	-422.524194	-422.516492	-422.515548	-422.556434	29.917
+O	 1.0255789311	 0.6517393472	 0.5666050265	-0.424871
+C	 0.0699964676	-0.05566469	-0.2128767452	-0.102421
+C	-0.6728146885	 0.9567643613	-1.0637692387	 0.020573
+C	-1.9217926333	 0.3818826749	-1.7354222708	-0.122142
+C	-2.8584733828	 1.5213239597	-2.0913542539	 0.106215
+O	-2.3314595385	 2.8207203894	-2.2470497722	-0.272403
+C	-1.8164553664	 3.2115338236	-0.9640026291	-0.093566
+C	-1.6073661156	 1.892920352	-0.2252156131	-0.070764
+C	-2.8282433153	 1.0433119013	-0.6844529123	-0.126553
+H	 1.4950101543	 0.018069888	 1.11651305	 0.287167
+H	 0.5579639198	-0.7997534196	-0.8633407732	 0.084581
+H	-0.645958536	-0.5975289178	 0.4267292691	 0.084408
+H	 0.0399437836	 1.4731353265	-1.7176794489	 0.078301
+H	-2.0096961619	-0.5983143564	-2.193687468	 0.077898
+H	-3.6959997138	 1.3146371929	-2.746828678	 0.101942
+H	-0.8883279158	 3.7696138587	-1.1232559972	 0.111544
+H	-2.5393119658	 3.8606373735	-0.4462676507	 0.089689
+H	-1.3736605992	 1.9800311383	 0.8342910908	 0.084482
+H	-3.6577123936	 0.6681551365	-0.1001133951	 0.08592
+19
+0 5489	4.8949221	1.1208992	1.0703706	2.2043	75.48	-0.237	0.09377	0.33077	1180.7184	0.158038	-422.502016	-422.494434	-422.49349	-422.534226	29.189
+C	 1.3654390307	 0.0085295873	-0.2434404851	-0.242245
+O	-0.0215969482	 0.1573679867	-0.0342950888	-0.258448
+C	-0.3410732726	 0.6326256314	 1.2449686977	 0.158449
+C	-1.815173851	 0.9996582944	 1.4447172787	-0.142269
+C	-1.3857696488	 1.9411914346	 2.6230369668	-0.068851
+C	-2.3088535083	 3.1520228291	 2.561782237	-0.105016
+O	-2.3973926789	 3.354622049	 1.1426564285	-0.28347
+C	-1.5809504159	 2.3158490715	 0.6374589599	 0.15344
+C	-0.2994454379	 2.1587818304	 1.5144935506	-0.145092
+H	 1.8133530738	-0.6831013125	 0.4872624775	 0.104962
+H	 1.5010590267	-0.4029947273	-1.2463177329	 0.128412
+H	 1.8982516469	 0.9689300229	-0.1789046914	 0.107814
+H	 0.1153323934	 0.0022324576	 2.0222064805	 0.062645
+H	-2.6829476153	 0.3408956564	 1.410452667	 0.076551
+H	-1.1138835406	 1.525674793	 3.5935464119	 0.073837
+H	-3.3051297056	 2.9597473006	 2.9794022786	 0.103182
+H	-1.8893742176	 4.0427737104	 3.045998448	 0.102484
+H	-1.5479703997	 2.3332196259	-0.4477018312	 0.101375
+H	 0.558404209	 2.8298446387	 1.5678022366	 0.072241
+19
+0 5490	4.7959811	1.0446749	1.0082815	1.1738	74.8	-0.24099	0.06893	0.30992000000000003	1218.5715	0.158612	-422.511031	-422.50345	-422.502506	-422.54326	29.589
+O	 1.3111828505	-0.1559519496	 0.8578289176	-0.417644
+C	 0.3254618245	 0.2552044176	-0.0810816978	-0.108335
+C	-0.7701088491	 1.084456408	 0.5713062383	-0.008907
+C	-1.9161521714	 0.3965415506	 1.3643542153	-0.111147
+C	-2.7858772267	 1.6860048187	 1.1639155664	-0.057113
+C	-4.2234958871	 1.2230885588	 0.9843432529	-0.111717
+O	-4.0271635694	 0.0485834536	 0.1781095904	-0.282545
+C	-2.6218869673	 0.0157026591	 0.0262521236	 0.140807
+C	-2.0591916049	 1.4516928328	-0.2071777012	-0.113237
+H	 0.8733620531	-0.7028637572	 1.5179414552	 0.282442
+H	 0.8609289269	 0.8666031252	-0.8162431639	 0.110546
+H	-0.0894478535	-0.6078370982	-0.6227285545	 0.087275
+H	-0.3137040385	 1.9264225699	 1.1031861823	 0.074747
+H	-1.8543466889	-0.2042184247	 2.2741684356	 0.068575
+H	-2.5756843355	 2.5826492473	 1.7470097671	 0.075751
+H	-4.7170710136	 0.9546434252	 1.9266539628	 0.103787
+H	-4.8518627129	 1.9464682667	 0.4501010462	 0.104253
+H	-2.3321525253	-0.8409156354	-0.577693538	 0.088711
+H	-2.154918351	 2.0617645216	-1.1067417883	 0.07375
+19
+0 5491	3.2183445	1.1127705	0.9201892	0.7648	77.54	-0.24096	0.00587	0.24683	1298.9097	0.156664	-422.538307	-422.529645	-422.528701	-422.571636	32.577
+C	 1.4582127661	-0.0280247304	 0.0057198712	-0.237519
+O	 0.0457863903	-0.0088764469	 0.0911307983	-0.244461
+C	-0.4189894794	 0.6059160874	 1.2466659046	 0.113501
+C	-1.7995596531	 1.209311757	 1.1629306836	-0.135679
+C	-2.4731261237	 1.3832834741	 2.4787012156	-0.080728
+C	-1.8051588869	 2.2251303536	 3.2759012217	-0.146141
+C	-0.6119967855	 2.8485600079	 2.5786476963	 0.094512
+O	-0.7336248324	 4.2614822152	 2.4350076108	-0.43055
+C	-0.5666171729	 2.1073761556	 1.2397136161	-0.141742
+H	 1.9057712764	-0.5796110914	 0.8460791239	 0.10818
+H	 1.716523858	-0.5338055231	-0.9272555878	 0.129054
+H	 1.8779974964	 0.9878031192	-0.0049639764	 0.112077
+H	-0.1366100629	 0.1086037065	 2.1779118444	 0.086102
+H	-2.359715822	 1.0540857501	 0.2481868062	 0.099949
+H	-3.3700165599	 0.8387270819	 2.7526098457	 0.104382
+H	-2.0643443676	 2.4767289616	 4.2976225281	 0.100649
+H	 0.3159892138	 2.7132523946	 3.1469609773	 0.093346
+H	-1.6037286522	 4.4288759154	 2.0550278737	 0.275633
+H	-0.2051939028	 2.6400088716	 0.3679799167	 0.099435
+19
+0 5492	2.7930206	1.2210426	0.9399442	2.3436	76.46	-0.23504	0.00368	0.23872	1256.8447	0.15715	-422.550044	-422.541179	-422.540235	-422.583921	33.051
+O	 1.6953976994	 0.5795023331	-0.1647460112	-0.411014
+C	 0.5110419063	 0.1810018719	 0.5119890459	-0.096979
+C	-0.4830488628	 1.3042412639	 0.7039724696	-0.056846
+C	-1.9740375924	 1.0176647472	 0.6100849549	-0.10013
+C	-2.8454892804	 2.0280860193	 1.2860420655	-0.085619
+C	-2.7431876985	 3.2262386541	 0.7087599207	-0.131434
+C	-1.8165184603	 3.2071891872	-0.4990408825	 0.079419
+O	-0.8321813855	 4.2337966141	-0.4887013452	-0.430124
+C	-1.2724270025	 1.7734015642	-0.4962782113	-0.068773
+H	 2.1269566972	 1.256420202	 0.3660257402	 0.280249
+H	 0.0677383333	-0.5997227856	-0.1155921997	 0.107951
+H	 0.7461960157	-0.2800225982	 1.484371422	 0.08973
+H	-0.198146923	 2.0438847699	 1.4521346466	 0.067359
+H	-2.3041680807	-0.0092903511	 0.4966460801	 0.090133
+H	-3.4426469787	 1.7944098463	 2.1607169915	 0.100319
+H	-3.2195904866	 4.1420075772	 1.0390497732	 0.101345
+H	-2.3786035398	 3.393595175	-1.4226780872	 0.094885
+H	-0.2647458032	 4.0781993	 0.2742987025	 0.27273
+H	-1.0403989576	 1.3048251196	-1.4449435955	 0.096799
+19
+0 5493	2.6673249	1.5316534	1.2337587	2.4298	76.63	-0.23162	0.01476	0.24638	1079.2131	0.157471	-422.518518	-422.510469	-422.509525	-422.550894	31.5
+C	 1.1997820406	-0.0469311076	-0.262959179	-0.252445
+O	-0.189459295	-0.2777154083	-0.1084368638	-0.275778
+C	-0.7082699848	 0.2150943458	 1.1089295855	 0.168382
+C	-2.248131942	-0.0108117938	 1.2484820455	-0.168388
+C	-2.4687192475	 0.6453956783	 2.5991082704	-0.096379
+C	-1.751619068	 1.7795258702	 2.5248120054	-0.092835
+C	-1.1466063189	 1.7340500324	 1.1371035019	-0.175665
+C	-2.4295210507	 1.2644128649	 0.3116372664	 0.192741
+O	-2.320089097	 1.1040422494	-1.0620750752	-0.449417
+H	 1.7669782207	-0.5079830435	 0.5580077774	 0.118325
+H	 1.5012395978	-0.5058453377	-1.2068702217	 0.134276
+H	 1.4362496911	 1.0253627358	-0.2927528175	 0.119516
+H	-0.0844862154	-0.1186524288	 1.9493190646	 0.069888
+H	-2.7091900919	-0.9720521952	 1.0243613647	 0.06881
+H	-3.0903272857	 0.2712640232	 3.4000000582	 0.102523
+H	-1.6332465856	 2.5690391311	 3.2535110775	 0.101346
+H	-0.50006295	 2.5430940934	 0.7980848799	 0.063272
+H	-3.3316702683	 1.8494516405	 0.5043791787	 0.084436
+H	-1.5436740794	 0.5471839597	-1.218523369	 0.287393
+19
+0 5494	2.5262647	1.435543	1.1588383	2.6753	75.78	-0.22859	0.01258	0.24117	1118.6892	0.157328	-422.520772	-422.512328	-422.511384	-422.553721	32.631
+O	 1.8564612309	 0.3323715709	 0.0583943061	-0.42216
+C	 0.4307844859	 0.3785084958	 0.0566752888	-0.130985
+C	-0.0905109341	 1.0265785652	-1.2224840868	 0.044347
+C	-0.1086633806	 0.2219140952	-2.5835862135	-0.11752
+C	-0.6389424843	 1.3078921476	-3.5197362062	-0.092695
+C	-1.6390753101	 1.8613061956	-2.8193974609	-0.092543
+C	-1.6395534162	 1.0700531514	-1.5145835861	-0.158636
+C	-1.4901106893	-0.3813453613	-2.1474001471	 0.163016
+O	-1.3827973782	-1.4910761109	-1.2914416179	-0.438329
+H	 2.1212258104	-0.335550697	-0.5814942552	 0.2818
+H	-0.0015285982	-0.6088612719	 0.2306030422	 0.114954
+H	 0.1591453454	 1.020121096	 0.9040449191	 0.09966
+H	 0.3963606666	 2.0012100069	-1.3175573786	 0.077359
+H	 0.7128343705	-0.4125661277	-2.9182345975	 0.05736
+H	-0.2839077715	 1.5248909946	-4.5170552117	 0.10112
+H	-2.3257574191	 2.6491991041	-3.0951126502	 0.100481
+H	-2.3803459327	 1.3022799665	-0.7483248529	 0.056892
+H	-2.1858358437	-0.5880055018	-2.9699332368	 0.069705
+H	-2.2713098517	-1.7742942792	-1.0539264948	 0.286175
+19
+0 5495	2.1908557	1.6160129	1.29722	0.9379	76.31	-0.22281	0.02207	0.24488000000000001	1083.9978	0.15595	-422.535031	-422.526263	-422.525319	-422.568192	33.092
+C	 1.5492219505	-0.0022131898	-0.1571698434	-0.237921
+O	 0.1342048318	-0.010683395	-0.1664029414	-0.229644
+C	-0.4068733431	 0.5656144378	 0.9740946129	 0.096417
+C	-1.8505851199	 0.2839723749	 1.3473110409	-0.244618
+C	-2.4817322844	-0.9435988811	 0.7882618475	-0.050264
+C	-1.8584231073	-2.0547681977	 1.1855908283	-0.073916
+C	-0.6943050849	-1.7557107694	 2.0997960657	-0.333263
+C	-0.6813759067	-0.2262044013	 2.2144635791	 0.32562
+O	-0.3017990033	 0.3603410072	 3.4203046309	-0.46695
+H	 1.9559629676	-0.5310273014	 0.7162679458	 0.114064
+H	 1.8792957114	-0.5060600751	-1.068546995	 0.126718
+H	 1.9458129335	 1.0245294859	-0.1529219009	 0.108461
+H	-0.0819166482	 1.5905827705	 1.1665817652	 0.089712
+H	-2.4555575587	 1.1379179866	 1.6344145272	 0.089445
+H	-3.3357093705	-0.9062440606	 0.1219598242	 0.095813
+H	-2.114368616	-3.0627555366	 0.8807573247	 0.092955
+H	-0.8146980374	-2.2086843657	 3.0944045487	 0.097509
+H	 0.2501443858	-2.1425023914	 1.698007721	 0.119114
+H	-0.9627577002	 0.1342811122	 4.0848275484	 0.280747
+19
+0 5496	3.3354646	1.2458849	1.0797169	2.5053	76.51	-0.22286	0.01658	0.23944000000000001	1160.5107	0.157467	-422.55331	-422.544979	-422.544035	-422.585819	32.659
+O	 1.3585304195	 0.2760357538	-0.4802276481	-0.417002
+C	 0.4118165831	 0.069260985	 0.58317217	-0.125775
+C	-0.5270621741	 1.2434121763	 0.7462907725	-0.12402
+C	-2.0414149514	 0.9986239841	 0.7602762812	-0.163984
+C	-2.8640341831	 2.0972622277	 1.3378364244	-0.077286
+C	-2.7468255981	 3.2244103487	 0.6286923929	-0.083422
+C	-1.8599843863	 3.0431100171	-0.5827225176	-0.336747
+C	-1.3583907366	 1.6024379218	-0.4585473886	 0.422977
+O	-1.169820215	 0.8875135342	-1.6375846576	-0.484353
+H	 1.870319758	 1.063846205	-0.2677838268	 0.287908
+H	-0.1376078017	-0.828945336	 0.2915109139	 0.126476
+H	 0.9350279706	-0.1500204931	 1.5234628802	 0.103132
+H	-0.1639143887	 2.0556069851	 1.3740231459	 0.08003
+H	-2.3839192815	-0.0304856624	 0.7730643708	 0.092237
+H	-3.4597359065	 1.9780893303	 2.2358279958	 0.094027
+H	-3.222382315	 4.1685043036	 0.8681323924	 0.09413
+H	-2.4194146958	 3.1552349257	-1.521144326	 0.120038
+H	-1.039324231	 3.7711994963	-0.6191846105	 0.100558
+H	-0.2207651464	 0.7057201767	-1.706640875	 0.291077
+19
+0 5497	2.928998	1.1700386	0.997112	3.0353	77.	-0.23751	-0.00807	0.22944	1239.0024	0.155252	-422.549304	-422.539794	-422.53885	-422.584041	34.188
+C	-0.932802849	 2.2812868481	-1.0539624092	-0.492773
+C	-1.0304084287	 1.0832417041	-0.1519147127	 0.218546
+C	-1.9537309533	 0.9770959904	 1.0663146857	-0.086031
+C	-3.0699981521	 1.9926015209	 1.1976505411	-0.107157
+O	-2.6201043818	 3.2890213978	 1.5589851453	-0.411754
+C	-2.0554200969	-0.0794055944	 0.017130053	-0.123997
+C	-0.9373535089	-1.1082068483	 0.2292295559	-0.369915
+C	 0.0609777159	 0.0620353884	 0.012437091	 0.359297
+O	 1.2453740753	 0.1007444865	-0.1717486587	-0.316753
+H	-0.6186760418	 1.9842192047	-2.0596833894	 0.124378
+H	-1.877316156	 2.8224129763	-1.1317891706	 0.133297
+H	-0.1856285399	 2.9811850472	-0.6665536297	 0.141275
+H	-1.5097087989	 0.6969080918	 2.0231994951	 0.082435
+H	-3.5898374524	 2.1161301884	 0.2426283335	 0.112295
+H	-3.8111268579	 1.6121810436	 1.9181626314	 0.098922
+H	-2.1543761739	 3.2196048575	 2.3985794108	 0.285224
+H	-2.953828814	-0.2390750891	-0.5656363143	 0.103349
+H	-0.9195945719	-1.6308284107	 1.1905065106	 0.117697
+H	-0.8324750139	-1.8383276534	-0.5786700889	 0.131664
+19
+0 5498	3.1384209	1.1806678	0.9851777	2.5655	77.77	-0.24112	-0.00844	0.23268	1252.5572	0.155365	-422.550354	-422.541146	-422.540202	-422.584317	34.078
+C	 2.9021054717	 0.8457533992	 1.3726820236	-0.381203
+C	 1.934666372	 0.7723848028	 0.1859416728	-0.21156
+C	 2.3425527909	-0.2762808623	-0.8368344918	-0.057555
+C	 1.8505808114	-0.1493324472	-2.243631264	-0.1639
+C	 2.2773653547	-1.377139865	-3.0521966427	-0.363099
+C	 3.7384147574	-0.9015681377	-2.8301213307	 0.321192
+O	 4.7428613999	-1.0296446478	-3.4838038016	-0.339897
+C	 3.374041626	 0.1523818851	-1.8517683881	 0.315645
+O	 4.0944305773	 1.300635441	-1.6672780045	-0.451666
+H	 2.9812923109	-0.1227935177	 1.8786758011	 0.112912
+H	 3.9016081381	 1.1364361494	 1.0386273176	 0.140598
+H	 2.5608258116	 1.5787822518	 2.1097713511	 0.112757
+H	 0.9250099365	 0.5304344373	 0.5399179991	 0.100785
+H	 1.8723646473	 1.7517334138	-0.2996983373	 0.111416
+H	 2.4201431668	-1.2823024286	-0.420802094	 0.08773
+H	 1.1129009879	 0.5812081261	-2.5480098247	 0.113846
+H	 1.9977718245	-2.3476851169	-2.6314544449	 0.117484
+H	 2.0243789861	-1.3521428331	-4.114804501	 0.130585
+H	 4.6418927389	 1.4211123396	-2.4544808197	 0.303929
+19
+0 5499	3.0001118	1.1367279	1.0014743	4.5491	75.85	-0.26789	0.00659	0.27448	1265.735	0.155439	-422.561125	-422.551905	-422.55096	-422.595129	33.544
+C	 1.4243792415	 1.0988199064	 0.1540928033	-0.376036
+C	 1.0754221033	-0.3809875608	-0.0461732816	-0.230258
+C	 1.6842302653	-0.970620294	-1.30290862	-0.067295
+C	 1.9228952855	-2.4349414289	-1.3991586315	 0.022461
+O	 2.293448662	-2.7662353736	-2.7670371212	-0.268737
+C	 3.4563429347	-2.0136483284	-2.6332035057	 0.433044
+O	 4.3464070466	-1.9146614184	-3.4137667406	-0.33047
+C	 3.1292830565	-1.5409164639	-1.2359330639	 0.086215
+C	 4.1429032865	-1.3057186252	-0.1545865945	-0.499303
+H	 0.9318023608	 1.4995208008	 1.0448295773	 0.119091
+H	 2.502633572	 1.2439548029	 0.2702104902	 0.125687
+H	 1.1008029108	 1.69608669	-0.7046770068	 0.124505
+H	 1.3824412834	-0.9616283362	 0.8317009934	 0.102418
+H	-0.0138447182	-0.4940537571	-0.1146402448	 0.113623
+H	 1.3889546673	-0.4732781265	-2.2251195614	 0.107799
+H	 1.5218413985	-3.2303093069	-0.7860450586	 0.12736
+H	 4.8027687423	-2.1714688216	-0.0405040386	 0.136445
+H	 4.7693288116	-0.4422158771	-0.4011611313	 0.143531
+H	 3.6708281297	-1.1129700814	 0.8115146762	 0.12992
+19
+0 5500	2.9652796	1.1930623	1.0332804	2.6925	77.97	-0.23354	-0.00799	0.22555	1227.2582	0.154725	-422.533952	-422.524609	-422.523665	-422.567995	33.905
+C	 1.5207216427	 0.0257986067	-0.0076724194	-0.246876
+O	 0.1068564407	 0.1367071024	 0.0164757819	-0.244447
+C	-0.3760899184	 0.7208885936	 1.1764746683	 0.08659
+C	-1.8277601411	 0.5874826448	 1.4051835566	-0.162076
+C	-2.2197541228	 1.436018048	 2.6224039392	-0.368725
+C	-1.2742022652	 0.5351761966	 3.4640916402	 0.355134
+O	-1.095544711	 0.4157163885	 4.6450152618	-0.318542
+C	-0.8470660859	-0.2684460323	 2.2775095564	 0.178438
+C	-0.4782683493	-1.7224455119	 2.2612007099	-0.507798
+H	 1.8934855632	-0.6225017772	 0.7960394491	 0.120118
+H	 1.7880055169	-0.4078605953	-0.9733166919	 0.134405
+H	 1.9977609914	 1.0118285825	 0.0867022115	 0.11671
+H	 0.1441055099	 1.6403573289	 1.4585217647	 0.090837
+H	-2.4953779299	 0.2243730104	 0.6350346677	 0.113133
+H	-1.9998739371	 2.5075475565	 2.5787394054	 0.118721
+H	-3.2555890834	 1.2949591556	 2.9438440554	 0.135423
+H	 0.4093285073	-1.901889809	 2.8774938648	 0.134293
+H	-1.2873321035	-2.3397895849	 2.66463696	 0.128907
+H	-0.2675010046	-2.0555359038	 1.2422494883	 0.135755
+19
+0 5501	4.2421503	0.9418614	0.8570684	4.3504	75.8	-0.26728	0.01159	0.27887	1392.698	0.157214	-422.59031	-422.581837	-422.580892	-422.623812	31.535
+C	-0.1229168806	 2.0589586528	-2.139570236	-0.375897
+C	 0.4465551733	 0.9453879016	-1.2536258843	-0.209339
+C	 1.4297470377	 0.0560319486	-1.9867913224	-0.042581
+C	 1.6984826217	-1.3503358856	-1.4770022865	-0.103638
+C	 2.9858804682	-2.018538691	-1.903327649	-0.387677
+C	 2.9142104994	-2.0598028868	-3.4359276264	 0.416985
+O	 3.7450264593	-2.4408446357	-4.2044556333	-0.325525
+O	 1.7083578015	-1.5625249038	-3.8527635083	-0.214962
+C	 0.9278970133	-1.1329355525	-2.7546283235	 0.083038
+H	-0.8311791859	 2.6811995263	-1.5843976608	 0.116223
+H	 0.6734560262	 2.7113861578	-2.5130919	 0.121129
+H	-0.6446991844	 1.6443197278	-3.0080818879	 0.123032
+H	 0.9406345951	 1.3831434877	-0.3769432097	 0.105639
+H	-0.3730433957	 0.3296590246	-0.8608762052	 0.096971
+H	 2.2736538476	 0.574344638	-2.4401647751	 0.096609
+H	 1.1977189944	-1.6783680615	-0.5739406419	 0.100414
+H	 3.8990166889	-1.4949182643	-1.6060211707	 0.143235
+H	 3.0663232415	-3.0455710028	-1.5332831769	 0.143193
+H	-0.1269191116	-1.340870521	-2.886337942	 0.113151
+19
+0 5502	4.0605433	0.9609609	0.8901357	2.4097	75.85	-0.24234	-0.01909	0.22325	1348.2549	0.156201	-422.55994	-422.551301	-422.550356	-422.593649	31.999
+C	 1.5000891205	-0.1209266272	-0.0840068989	-0.238007
+O	 0.1028404078	-0.1740626537	 0.1305357496	-0.243124
+C	-0.3057363893	 0.5638936571	 1.2345892707	 0.115619
+C	-1.7153252614	 1.0633475413	 1.1920174283	-0.096964
+C	-2.4119875175	 1.3019051466	 2.5144196561	-0.338373
+C	-1.5236843161	 2.3012151808	 3.2781901614	 0.378985
+O	-1.6162565225	 2.5637014906	 4.4477206341	-0.302531
+C	-0.495848587	 2.9102804907	 2.3058844988	-0.335334
+C	-0.5465691781	 2.0471342477	 1.0633077474	-0.1003
+H	 2.056349451	-0.5290253384	 0.7732305264	 0.109161
+H	 1.7127122114	-0.7297506066	-0.965565077	 0.129919
+H	 1.8455512627	 0.9072621841	-0.2630307641	 0.109137
+H	 0.1025316996	 0.2145841751	 2.1886706558	 0.084115
+H	-2.2938316344	 0.7988419299	 0.3153571546	 0.102695
+H	-3.3948162269	 1.7678645047	 2.3682964387	 0.132988
+H	-2.5706412622	 0.4068665702	 3.1238978777	 0.133132
+H	-0.8049666315	 3.9414488538	 2.0916604203	 0.132847
+H	 0.4825236437	 2.9669877725	 2.793919722	 0.129407
+H	-0.3130153499	 2.4757304209	 0.095966358	 0.096629
+19
+0 5503	3.9046973	0.9308518	0.8614456	3.8377	75.78	-0.23876	-0.01507	0.22369	1372.0654	0.156864	-422.576538	-422.567868	-422.566924	-422.610367	32.246
+O	 2.6286508466	-0.8372188361	-1.6386921694	-0.419203
+C	 2.0094680302	 0.2632930191	-0.9869841034	-0.111394
+C	 1.1192654556	 0.960583867	-1.9796809574	-0.001707
+C	-0.0992742583	 1.7016357882	-1.485146194	-0.07442
+C	-0.6083057797	 2.8421296335	-2.3416524089	-0.337698
+C	-0.8692234732	 2.2294456628	-3.7299911543	 0.379358
+O	-1.0544413281	 2.8519913293	-4.7418604072	-0.304389
+C	-0.8592554936	 0.6953729324	-3.6120261936	-0.338813
+C	-0.2512710577	 0.3966234782	-2.2579616963	-0.039778
+H	 3.273045138	-1.2189210037	-1.0350921928	 0.286688
+H	 1.4057252951	-0.0706631239	-0.1263745272	 0.080939
+H	 2.7619451308	 0.9694626578	-0.6010983174	 0.089462
+H	 1.6557627096	 1.3915857474	-2.8238020545	 0.091527
+H	-0.2822904001	 1.7293664593	-0.4166652986	 0.085519
+H	-1.5612883464	 3.2329571946	-1.9618779725	 0.12929
+H	 0.0720979577	 3.6943691009	-2.4334556312	 0.129687
+H	-1.8982895083	 0.3459295969	-3.6723456064	 0.128739
+H	-0.3260081445	 0.2595819169	-4.462361358	 0.135415
+H	-0.5339765238	-0.5152770806	-1.744912167	 0.090779
+19
+0 5504	2.5486469	1.4738929	1.1220411	2.7979	75.08	-0.23033	-0.0188	0.21153	1147.2815	0.157284	-422.553625	-422.54541	-422.544466	-422.586623	31.021
+C	 1.346118098	 1.1047615517	 0.5265172567	-0.391489
+C	 0.9402023252	-0.2892578246	 0.0395808517	-0.194665
+C	 1.7429098308	-0.7714417074	-1.1729270312	-0.104042
+C	 1.3288949012	-0.1752307831	-2.5370715737	 0.065589
+C	 2.0028927827	-1.0893480575	-3.5858563954	-0.251855
+C	 0.9315196544	-2.043685422	-3.0057189315	-0.036716
+O	 0.0632865162	-0.8798824137	-2.7969301553	-0.297315
+C	 1.4287483858	-2.2387850559	-1.564117901	 0.438692
+O	 1.5142584392	-3.235792572	-0.9034763831	-0.334215
+H	 0.7518144101	 1.4033299613	 1.3954194544	 0.119536
+H	 2.4016247866	 1.1311454918	 0.8194779778	 0.115885
+H	 1.198241991	 1.8646264551	-0.2485321838	 0.115025
+H	 1.0754990067	-1.0200821267	 0.8450557161	 0.117668
+H	-0.1238561326	-0.3069466735	-0.2213507659	 0.117166
+H	 2.8178729427	-0.6651376359	-0.9797628592	 0.092923
+H	 1.2604478709	 0.9063897145	-2.6460876983	 0.091811
+H	 1.7625124045	-0.7960885673	-4.6082795789	 0.123885
+H	 3.0611774845	-1.3402952311	-3.4747651784	 0.110521
+H	 0.4787495321	-2.8800919135	-3.5335057909	 0.101595
+19
+0 5505	2.5614651	1.5535465	1.1748001	3.7398	75.93	-0.2311	-0.01136	0.21974	1107.2868	0.157671	-422.548806	-422.54065	-422.539706	-422.581792	30.648
+C	 1.5958626311	-0.4348461731	-0.1037343405	-0.238739
+O	 0.2134557218	-0.1505482486	-0.0577734617	-0.250684
+C	-0.1925366981	 0.5272663667	 1.1032240232	 0.035899
+C	 0.0259686952	 2.0561779707	 1.1137667366	-0.062211
+C	-1.0497163585	 2.5428844674	 0.1003223136	-0.235967
+C	-2.0481960624	 2.0363243956	 1.1987070356	-0.130267
+C	-0.9631202026	 2.4948272394	 2.2306662371	-0.245942
+C	-1.7528840875	 0.5494942148	 1.1564435026	 0.423627
+O	-2.4985654243	-0.3892720317	 1.1462751236	-0.329756
+H	 1.9107844221	-1.0336438441	 0.7644300145	 0.109941
+H	 1.7739193347	-1.0111007556	-1.014531663	 0.133223
+H	 2.2105592065	 0.4765592103	-0.1373489094	 0.10693
+H	 0.2211072002	 0.0427876134	 2.0023039209	 0.080148
+H	 1.0527214233	 2.4190936939	 1.086059934	 0.071508
+H	-1.0773362444	 3.6303072445	 0.0049866664	 0.107089
+H	-1.0777575511	 2.067242406	-0.8819467927	 0.121878
+H	-3.0925071342	 2.3358114531	 1.2479064352	 0.084561
+H	-0.9753689294	 3.5770898566	 2.3746445038	 0.113209
+H	-0.9221144225	 1.9868154709	 3.1991669901	 0.105554
+19
+0 5506	2.970054	1.4302034	1.1680767	3.9371	74.86	-0.24382	-0.0188	0.22502	1094.1021	0.159063	-422.56826	-422.560554	-422.55961	-422.600384	30.252
+O	-0.142613632	-1.9292326417	 1.5894830324	-0.426408
+C	 0.2580018222	-0.9649451902	 0.6392387344	-0.088027
+C	-0.2558794525	 0.4292448977	 1.021749324	-0.109701
+C	 0.0028884438	 1.6208932088	 0.0716961951	-0.050006
+C	-1.0738891835	 1.4294627586	-1.0391359467	-0.239651
+C	-2.0689119701	 1.722725039	 0.1406916633	-0.121844
+C	-0.9571926538	 2.6934209319	 0.6650798217	-0.240342
+C	-1.7959562309	 0.4957849306	 0.9881451715	 0.444528
+O	-2.571760718	-0.3006696081	 1.4619134117	-0.366763
+H	-1.0954224887	-1.8151882517	 1.7159991346	 0.296008
+H	 1.3537960179	-0.9687548446	 0.6225552435	 0.106058
+H	-0.0810437878	-1.2309721959	-0.3756241678	 0.085551
+H	 0.0962866919	 0.6431580234	 2.0384815653	 0.10506
+H	 1.0396479583	 1.853173192	-0.1697634054	 0.075582
+H	-1.0742395183	 2.2435630245	-1.7669602187	 0.113405
+H	-1.1466941864	 0.4680568147	-1.5527569602	 0.112402
+H	-3.1069474835	 2.0106547013	-0.0092959279	 0.086336
+H	-0.9468176104	 3.6290256666	 0.1020343378	 0.111353
+H	-0.9110071981	 2.8950174831	 1.7389519514	 0.106459
+19
+0 5507	3.7504975	0.8727153	0.7590814	3.068	76.97	-0.2401	-0.03422	0.20588	1515.1822	0.154661	-422.518188	-422.508993	-422.508049	-422.553075	32.81
+C	 1.1262188436	-0.3047264393	 1.1317590723	-0.371521
+C	 1.2684606556	 0.2751876845	-0.2804460503	-0.219636
+C	 1.8181599003	-0.7240735027	-1.2797756299	-0.035043
+C	 1.454649926	-0.5599856492	-2.7198031909	 0.074307
+O	 2.1866951432	-1.4769929796	-3.5425986959	-0.301935
+C	 1.5526205015	-2.6060405829	-2.8848168797	 0.012602
+C	 0.6111522308	-3.3195447279	-3.8371248729	 0.141884
+O	 0.2256605806	-4.4464635607	-3.6702586716	-0.241131
+C	 0.8152219938	-1.6735485478	-1.9174838496	-0.137718
+H	 0.4433267981	-1.1602635964	 1.14204163	 0.121237
+H	 2.093170092	-0.6485014638	 1.5141340328	 0.120048
+H	 0.7390949437	 0.4449593613	 1.8283288485	 0.116062
+H	 0.2932666913	 0.6394068533	-0.6293432437	 0.098122
+H	 1.929083871	 1.1508079462	-0.2551937751	 0.107615
+H	 2.8153424901	-1.1053532422	-1.0631063155	 0.093602
+H	 1.067569467	 0.3410506269	-3.1818320803	 0.109737
+H	 2.2688519884	-3.3163323737	-2.4571305795	 0.108599
+H	 0.2900962307	-2.6936176923	-4.6992766062	 0.091238
+H	-0.1940915177	-1.8102971835	-1.5531101824	 0.111931
+19
+0 5508	3.9746059	0.8596619	0.757721	2.2682	78.01	-0.24418	-0.02281	0.22137	1499.1204	0.155095	-422.514488	-422.505393	-422.504449	-422.549029	32.538
+C	 1.4761884305	-0.0028639128	 0.0233758808	-0.239172
+O	 0.0704773511	-0.0418779115	 0.1857254077	-0.249377
+C	-0.3653149535	 0.6175271333	 1.327716168	 0.1158
+C	-1.774995565	 1.0973515333	 1.2440879149	-0.081697
+C	-2.2151631862	 1.6697021824	 2.5904488003	-0.276624
+C	-1.0155499021	 2.6954775785	 2.5495728551	-0.097728
+C	-1.4957492102	 4.1183681727	 2.4583596396	 0.1621
+O	-1.1000273773	 5.0285493475	 3.1400356248	-0.256309
+C	-0.6112333489	 2.1022678653	 1.1880752344	-0.103325
+H	 1.9921654355	-0.4751586703	 0.8724563185	 0.110671
+H	 1.7085667403	-0.5602095948	-0.8865757675	 0.13129
+H	 1.8464831178	 1.0268334627	-0.0784930852	 0.111692
+H	 0.0352966859	 0.216525248	 2.2647025209	 0.080188
+H	-2.4205589344	 0.7553620968	 0.4452542291	 0.10279
+H	-3.1824423573	 2.1767053286	 2.5421025652	 0.116741
+H	-2.2226873313	 0.9827676292	 3.4419626793	 0.111564
+H	-0.2739402806	 2.6203009652	 3.3499190791	 0.088957
+H	-2.279651961	 4.2804632347	 1.6799135101	 0.071882
+H	-0.2157366032	 2.6518022214	 0.3423931349	 0.100558
+19
+0 5509	4.4405684	0.8358086	0.7657557	2.9319	77.35	-0.25009	-0.0211	0.22898999999999997	1483.6755	0.155732	-422.531424	-422.522364	-422.52142	-422.565866	32.663
+O	 1.1066054668	 0.7545958869	-1.2944090516	-0.421099
+C	 0.490330877	 0.0263370147	-0.2402849302	-0.119051
+C	-0.2166722013	 1.0042378341	 0.660435989	-0.002455
+C	-0.3462311432	 0.6418951285	 2.1161414009	-0.057677
+C	-1.206622883	 1.6793421313	 2.8478789788	-0.270063
+C	-0.2205526162	 2.7982730766	 2.3990226856	-0.108399
+C	 0.5413775708	 3.4632544045	 3.5192216278	 0.134147
+O	 0.4148336369	 3.2231199453	 4.6930435162	-0.237015
+C	 0.6293340461	 1.7305978294	 1.6699790924	-0.044344
+H	 1.4712130145	 0.1222802401	-1.9209340862	 0.286653
+H	-0.2351943985	-0.7027416082	-0.6342572313	 0.091603
+H	 1.2357737941	-0.5385641652	 0.3439175898	 0.08364
+H	-1.0306581062	 1.5435936713	 0.176877833	 0.083377
+H	-0.129078067	-0.3572391144	 2.4754771952	 0.087107
+H	-2.242330318	 1.7744792555	 2.5087182857	 0.097153
+H	-1.1845056005	 1.5738995969	 3.9336734999	 0.134918
+H	-0.6072143537	 3.5841984505	 1.736595237	 0.087981
+H	 1.2861959845	 4.2159433233	 3.170802165	 0.078147
+H	 1.7117371169	 1.717011719	 1.617526203	 0.095376
+19
+0 5510	2.2889059	1.2970908	1.1915457	2.3469	76.08	-0.2411	0.0101	0.25120000000000003	1171.7827	0.155784	-422.531492	-422.522355	-422.521411	-422.565423	33.589
+C	-1.1717560527	-2.418455575	-0.0950028184	-0.519625
+C	-1.2025602579	-0.9169638631	-0.0947699629	 0.175739
+C	-2.1570952774	 0.0432398737	 0.7083472219	-0.275153
+C	-1.2501320434	 1.0409946407	-0.0855342978	-0.192785
+C	-1.440990999	 0.0678889162	-1.3068349871	-0.031429
+C	-0.4674515041	 0.10140362	-2.4734585293	-0.121704
+O	-0.7200222555	 1.189955684	-3.3501176799	-0.41391
+C	-0.1145190542	 0.0915535574	 0.3239506001	 0.413709
+O	 0.9987762266	 0.111033462	 0.7520371534	-0.335143
+H	-0.9827631377	-2.8006877663	 0.913280959	 0.134931
+H	-2.1209093899	-2.8381053773	-0.4439358998	 0.126009
+H	-0.3758413452	-2.7942916574	-0.7459330418	 0.13454
+H	-3.1987088538	 0.0190073213	 0.3790240397	 0.108833
+H	-2.0733585637	 0.0414391739	 1.7970023596	 0.112919
+H	-1.2953726689	 2.1279293435	-0.0751374328	 0.089679
+H	-2.4756759653	 0.0515527132	-1.6646075949	 0.084726
+H	 0.5727708269	 0.1080358613	-2.1123757748	 0.108207
+H	-0.5924932163	-0.8003826473	-3.0831418586	 0.114844
+H	-0.5344479288	 2.0030023391	-2.8693884956	 0.285613
+19
+0 5511	2.321255	1.2990598	1.2046414	1.6795	75.93	-0.24076	0.00774	0.2485	1178.1721	0.155338	-422.535468	-422.526211	-422.525267	-422.569685	33.807
+C	 2.0702502051	 1.5313032017	 0.2288072344	-0.380674
+C	 1.5879612645	 0.0766456363	 0.1935225968	-0.234294
+C	 2.0827256581	-0.6807730359	-1.0289579074	-0.011198
+C	 3.5529519467	-1.2432948184	-1.102886338	-0.194325
+C	 3.030284862	-2.2093204126	-2.2174917498	-0.299234
+C	 1.8900553337	-2.2369265879	-1.1268654739	 0.269118
+O	 0.6917599908	-2.9031531983	-1.1504378577	-0.470055
+C	 3.0533708677	-2.3214771855	-0.129965303	 0.377751
+O	 3.3722156384	-2.9300843772	 0.8464799447	-0.344375
+H	 1.6772272885	 2.0558541533	 1.1047311229	 0.117922
+H	 3.1632185181	 1.5872504053	 0.2690888298	 0.119077
+H	 1.7430064018	 2.0787683533	-0.6620266867	 0.116374
+H	 1.9039670582	-0.4400320325	 1.1083372206	 0.114608
+H	 0.4909830086	 0.0517314167	 0.1921016449	 0.111561
+H	 1.7992382963	-0.179160656	-1.9607726482	 0.07944
+H	 4.4821444736	-0.683853306	-1.1023686102	 0.101495
+H	 2.744032419	-1.7134141421	-3.1470836059	 0.112951
+H	 3.5923828507	-3.1281495556	-2.3928983228	 0.111598
+H	 0.7505059082	-3.6513948985	-0.5449405505	 0.302259
+19
+0 5512	2.3405456	1.291847	1.151092	3.0199	76.25	-0.24984	-0.00611	0.24373	1207.4828	0.154253	-422.513078	-422.503701	-422.502757	-422.547397	33.96
+C	 1.5717195225	 1.3378487263	 0.3173596631	-0.377069
+C	 1.1158199277	-0.1174731262	 0.1564755305	-0.236605
+C	 1.657225158	-0.7669684709	-1.1080195982	-0.010449
+C	 1.0658461375	-0.4540592506	-2.5099748252	-0.080352
+O	 1.6296175169	-1.7409875508	-2.9912896278	-0.339161
+C	 1.0832154337	-2.1138714795	-1.6456557899	 0.258086
+C	 1.2521903683	-3.5148508101	-1.1600531596	-0.526155
+C	-0.1654197673	-1.3196519843	-2.1373807756	 0.420393
+O	-1.3402686385	-1.4109540148	-2.2804740578	-0.319481
+H	 1.1868650038	 1.7700593662	 1.2454837617	 0.120531
+H	 2.664344736	 1.4098528141	 0.3421862551	 0.120274
+H	 1.2170443283	 1.9595190455	-0.511412029	 0.122459
+H	 1.4485588705	-0.7044087791	 1.0218502994	 0.106844
+H	 0.0193595642	-0.1630355745	 0.1599130894	 0.115285
+H	 2.7507748228	-0.7784984083	-1.1600354932	 0.089547
+H	 1.185346978	 0.4160205157	-3.1514097418	 0.109385
+H	 0.7776601638	-3.6275006858	-0.1802814766	 0.139613
+H	 0.7806562441	-4.2187285098	-1.8516085694	 0.148588
+H	 2.3113130398	-3.7717179232	-1.064360585	 0.138266
+19
+0 5513	2.2283142	1.4325893	1.3221247	3.788	76.76	-0.23498	0.01711	0.25209	1119.0223	0.155198	-422.520288	-422.511154	-422.51021	-422.554153	33.271
+C	 1.5389670164	-0.26963299	-0.1302390901	-0.248921
+O	 0.1451677534	-0.0381501084	-0.0796971547	-0.25408
+C	-0.2896509185	 0.5610859397	 1.09960339	 0.147168
+C	-1.8109326911	 0.8480445587	 1.1688294404	-0.22636
+C	-1.4430544284	 1.8779537151	 2.2894655743	-0.281554
+C	-0.3281541153	 2.1410586414	 1.213078464	 0.13623
+C	 0.7960640324	 3.1359037941	 1.2574234031	-0.523725
+C	-1.4970791963	 2.0160765689	 0.2129073006	 0.429338
+O	-1.9393148644	 2.5703268226	-0.7435072342	-0.326594
+H	 1.8734522308	-0.8923315776	 0.7134117158	 0.109166
+H	 1.7416179471	-0.7999950907	-1.0629429461	 0.13622
+H	 2.1149797915	 0.6658146614	-0.1213637939	 0.1153
+H	 0.1250154278	 0.0677728874	 1.9907847077	 0.0719
+H	-2.6223324697	 0.1254608656	 1.1592840605	 0.097343
+H	-2.1527558289	 2.6843319538	 2.4745827448	 0.119893
+H	-1.083827233	 1.4310202632	 3.2200464851	 0.106217
+H	 1.4797220259	 2.9351110954	 2.0890552448	 0.121654
+H	 1.373005116	 3.1132673008	 0.3275694153	 0.136873
+H	 0.4083155642	 4.1527936187	 1.3783124227	 0.133932
+19
+0 5514	2.6934496	1.4376538	1.1374765	2.8663	75.07	-0.23423	-0.00004	0.23418999999999998	1126.5921	0.155961	-422.517536	-422.508973	-422.508029	-422.550461	32.964
+C	-2.9066676864	-1.4228964946	 1.2312479315	-0.517547
+C	-1.9796088152	-0.5538027359	 2.0348807869	 0.355998
+O	-1.9595722768	 0.8707715938	 1.6585146268	-0.319253
+C	-0.7406668873	 0.8907096596	 2.4706901104	 0.01166
+C	-1.290931694	 0.5422135764	 3.8644342876	-0.090255
+C	-2.134685649	-0.4474691147	 3.5697311927	-0.124887
+C	-0.4074281386	-0.5267792102	 1.9036042447	-0.045893
+C	 0.1658719251	-0.5554090552	 0.4956494996	-0.098124
+O	 1.513684041	-0.0992158615	 0.4621932553	-0.420728
+H	-2.8455581165	-2.4621203885	 1.5704049851	 0.123159
+H	-3.9402687265	-1.0841188225	 1.3533719195	 0.136551
+H	-2.6609253746	-1.3907481786	 0.1666676704	 0.132916
+H	-0.1055107494	 1.7612146157	 2.3184585938	 0.087512
+H	-1.0238560201	 0.9925961672	 4.8089921609	 0.111016
+H	-2.7735757754	-1.0524389909	 4.1969964923	 0.108122
+H	 0.14186116	-1.1992954319	 2.5722462077	 0.058708
+H	 0.0794790068	-1.5702946865	 0.0745152733	 0.083732
+H	-0.3992379699	 0.1229922889	-0.1473528317	 0.127187
+H	 2.045306327	-0.7124735905	 0.9798857933	 0.280125
+19
+0 5515	2.6712601	1.5188916	1.2065631	2.1452	76.3	-0.22639	0.01398	0.24037	1093.4245	0.156467	-422.520713	-422.512323	-422.511379	-422.553523	32.48
+C	 1.2042556634	-0.1627020889	-0.1504620081	-0.243858
+O	-0.1449599626	 0.1511034303	 0.1284640501	-0.270424
+C	-0.3393122336	 0.818482302	 1.3435838225	 0.113426
+C	-0.2688062388	 2.4060693389	 1.3384855099	-0.139611
+C	-1.6417264824	 2.3623261263	 0.5897422366	-0.27818
+C	-1.861040207	 1.1441884044	 1.5598096464	 0.352913
+O	-2.8495917072	 0.1869433175	 1.4058715217	-0.497189
+C	-1.7683453154	 1.8293989384	 2.9187509399	-0.121437
+C	-0.7242058257	 2.6541572527	 2.7755916124	-0.092444
+H	 1.6466930704	-0.7748615483	 0.6493871968	 0.112296
+H	 1.2196202451	-0.7315447106	-1.0830225154	 0.129224
+H	 1.8172223925	 0.7410218806	-0.2752792467	 0.113337
+H	 0.1873649655	 0.3148255855	 2.166125035	 0.063849
+H	 0.5892118042	 2.9493311379	 0.9480294332	 0.065955
+H	-2.3048364555	 3.2209353006	 0.7108295571	 0.09346
+H	-1.5496119303	 2.0627651053	-0.4566623551	 0.101731
+H	-2.6441800337	-0.301358075	 0.6000088823	 0.288024
+H	-2.4014582564	 1.6180787965	 3.7681113956	 0.107523
+H	-0.2586287925	 3.3128468861	 3.4947062561	 0.101404
+19
+0 5516	2.7360831	1.507	1.2420843	2.7181	76.51	-0.23469	0.00381	0.23850000000000002	1088.5894	0.15527	-422.504857	-422.496205	-422.495261	-422.537975	32.673
+C	 1.5031521131	-0.3088841233	 0.0676219043	-0.247448
+O	 0.1653038181	 0.1283997691	-0.0667911907	-0.251012
+C	-0.3827474143	 0.6433184805	 1.1011536411	 0.148854
+C	-1.9208721096	 0.9012901908	 1.0075839431	-0.036869
+O	-1.6290371866	 2.1150565476	 0.2572891886	-0.314863
+C	-0.4971996478	 2.2348787529	 1.1850929975	 0.335026
+C	 0.5768176615	 3.1885610929	 0.7519786666	-0.522449
+C	-1.213490508	 2.3523842977	 2.5351375425	-0.128263
+C	-2.1855556002	 1.440830569	 2.4166310964	-0.092185
+H	 1.5985357657	-1.0828841426	 0.8438879638	 0.109988
+H	 1.7991358198	-0.7335330083	-0.8941656137	 0.13281
+H	 2.1865425549	 0.5157596724	 0.3146148309	 0.110886
+H	-0.0094706507	 0.123434618	 1.9936377555	 0.064354
+H	-2.6115594919	 0.2143264531	 0.5219601439	 0.082766
+H	 1.3770316411	 3.2388607082	 1.4973772272	 0.117174
+H	 1.0003330997	 2.8693911238	-0.2038753348	 0.138099
+H	 0.162892862	 4.193853277	 0.6242070838	 0.135459
+H	-0.9324121848	 2.9821427889	 3.367345223	 0.107243
+H	-2.9339078718	 1.1069528324	 3.120201881	 0.110428
+19
+0 5517	2.8242762	1.4834846	1.2276842	3.0237	75.11	-0.2316	0.00616	0.23776	1066.8458	0.157358	-422.52906	-422.520865	-422.519921	-422.561371	32.579
+O	 1.084264876	-0.2464375187	 0.9777308127	-0.429552
+C	 0.2353447355	 0.2026911848	-0.0665140922	-0.110301
+C	-0.8906060245	 1.0665449841	 0.4933282104	 0.000818
+C	-2.1786347418	 1.362150319	-0.374256038	-0.111623
+C	-2.6718521833	-0.0759626225	 0.0113395977	-0.290629
+C	-1.9728865962	 0.3294765328	 1.3567708882	 0.362299
+O	-1.5253375634	-0.5902579702	 2.3120664273	-0.501006
+C	-2.8520090655	 1.5228790777	 1.7728539181	-0.159708
+C	-2.9828565331	 2.2019382096	 0.6303789182	-0.082096
+H	 0.5159779892	-0.6880371038	 1.6214034931	 0.295486
+H	 0.8610292341	 0.8034600485	-0.7367150633	 0.104287
+H	-0.1456495583	-0.6414065867	-0.660090569	 0.083634
+H	-0.4571851627	 1.9426830939	 0.9824336122	 0.079466
+H	-2.1163954369	 1.6921857802	-1.4092983114	 0.070162
+H	-3.7518807743	-0.236237092	 0.0390330751	 0.091578
+H	-2.1700266949	-0.8842079554	-0.524144344	 0.103157
+H	-2.275582979	-1.0923153021	 2.6474289979	 0.28579
+H	-3.2179792054	 1.7248627833	 2.7697992962	 0.103062
+H	-3.5028146454	 3.1264714973	 0.4227936006	 0.105176
+19
+0 5518	2.4498134	1.2978626	1.0152372	2.201	76.83	-0.25066	-0.04229	0.20837	1242.5043	0.154632	-422.499213	-422.490142	-422.489197	-422.533937	32.75
+C	 1.1668710595	 1.6817909044	 0.3567986038	-0.381787
+C	 0.8710160192	 0.1987898172	 0.1033216989	-0.227341
+C	 1.9465094936	-0.472748595	-0.7313713041	 0.006176
+C	 1.9410555692	-0.3097074375	-2.2803149374	 0.032606
+C	 2.8050278338	-1.5829733392	-2.414866961	-0.257852
+C	 1.6383864703	-1.8427632639	-1.4147180679	 0.298493
+O	 0.7253023885	-1.1611915585	-2.3608442181	-0.343233
+C	 1.1936460248	-3.1387828644	-0.8188307993	 0.035302
+O	 1.7286114023	-3.6466345662	 0.1336036335	-0.251509
+H	 0.3868160613	 2.1369954722	 0.9741015734	 0.118606
+H	 2.1223995739	 1.816184705	 0.8758504389	 0.115711
+H	 1.2172238194	 2.2446817774	-0.5815600693	 0.116325
+H	 0.7923817164	-0.3275253292	 1.0627643504	 0.108538
+H	-0.090981326	 0.0850549752	-0.4050190179	 0.117646
+H	 2.9361104151	-0.412282803	-0.2674910366	 0.082369
+H	 1.9480871845	 0.5957962592	-2.8866830896	 0.101933
+H	 2.710854121	-2.1068312017	-3.3660317815	 0.116674
+H	 3.8217136798	-1.5736674892	-2.0174949174	 0.112465
+H	 0.3260000833	-3.6034858529	-1.3371465087	 0.098879
+19
+0 5519	1.9908648	1.8113106	1.1361078	2.0011	77.63	-0.24841	-0.03251	0.21589999999999998	1123.6423	0.156122	-422.505069	-422.496386	-422.495441	-422.538646	31.84
+C	 1.4882209343	 0.0166473061	-0.1026535441	-0.263074
+O	 0.0914919327	-0.1325979069	 0.1031303324	-0.264184
+C	-0.3966915445	 0.6113682719	 1.1703499806	 0.154322
+C	-1.900668051	 0.424109217	 1.4847289151	-0.098533
+C	-1.600850937	 0.9968123515	 2.8993806128	-0.273029
+C	-0.4454857895	-0.0141284468	 2.6119069982	 0.196113
+C	-1.5557169677	-0.9818025577	 2.0633516847	-0.263762
+C	 0.6587580488	-0.3807197425	 3.5394871353	 0.033456
+O	 1.8344781973	-0.3669506793	 3.2623777169	-0.251141
+H	 2.0584057625	-0.2745763162	 0.7870533376	 0.145587
+H	 1.7550919356	-0.6260072247	-0.9444878716	 0.123348
+H	 1.7403929256	 1.0573819928	-0.3571682424	 0.104821
+H	-0.0356281769	 1.6496476433	 1.1343175167	 0.066192
+H	-2.7357529667	 0.6826800999	 0.8341954485	 0.083115
+H	-1.3205586888	 2.0518335653	 2.9659204914	 0.102719
+H	-2.3012529367	 0.7135368829	 3.6871249862	 0.105088
+H	-1.2176190431	-1.7350254169	 1.3536954386	 0.125364
+H	-2.2495214228	-1.3852347729	 2.8048027155	 0.095891
+H	 0.3200682878	-0.6901950668	 4.5556400678	 0.077707
+19
+0 5520	2.1973183	1.6700443	1.137259	4.0688	76.94	-0.24945	-0.0464	0.20305	1111.3258	0.157467	-422.517189	-422.508967	-422.508023	-422.549979	31.37
+O	 1.5977703963	-0.0956264688	-0.5555305964	-0.428152
+C	 0.6224233705	 0.9246981143	-0.6338752044	-0.121447
+C	-0.7222617211	 0.3589663181	-1.0673968877	-0.008595
+C	-1.9353579103	 1.2358663118	-1.5233821479	-0.076578
+C	-2.5107253967	-0.0416356473	-2.2079155538	-0.274147
+C	-0.9911573165	-0.0116961265	-2.5649011643	 0.242512
+C	-1.1971499435	 1.5188557396	-2.8643705516	-0.267329
+C	-0.2143048741	-0.947555214	-3.4174897818	 0.029298
+O	 0.9020641125	-1.3375161195	-3.1510282642	-0.254797
+H	 1.5939911375	-0.5615516382	-1.4060020982	 0.294596
+H	 0.5281860326	 1.3421263771	 0.3759081901	 0.104649
+H	 0.9516565334	 1.7489599987	-1.2851707913	 0.081038
+H	-0.9962278688	-0.4478550695	-0.3787182956	 0.080055
+H	-2.4898872307	 1.9539501302	-0.9192027382	 0.08341
+H	-2.8338712601	-0.8526012044	-1.5504849852	 0.105644
+H	-3.2119903393	 0.1215104563	-3.0300875609	 0.09922
+H	-0.3082262631	 2.1482257076	-2.8416947081	 0.114565
+H	-1.8278707207	 1.7541084832	-3.7252103013	 0.102064
+H	-0.7081973278	-1.2688198788	-4.3601582193	 0.093993
+19
+0 5521	3.1306361	1.1976933	1.0399037	3.092	75.38	-0.23139	-0.01741	0.21398	1220.3794	0.156999	-422.553992	-422.545774	-422.54483	-422.586935	31.198
+C	 3.6512045195	 1.1026359758	-0.3830555504	-0.385914
+C	 2.2491554011	 0.9297574169	-0.9760611229	-0.212431
+C	 2.205179008	-0.0845056805	-2.1133553877	 0.016294
+C	 0.7916970834	-0.5340025471	-2.5716068648	 0.05364
+C	 1.0493867195	-1.4976966506	-3.7431038725	-0.349897
+C	 2.1741249194	-2.2973047786	-3.0393672628	 0.447088
+O	 2.8421328131	-3.2063863426	-3.4427131586	-0.322772
+C	 2.1922439773	-1.5818089627	-1.6787327847	-0.051219
+O	 0.7522295717	-1.4683349994	-1.4385283583	-0.30196
+H	 3.6485853704	 1.8462453099	 0.4192393452	 0.119484
+H	 4.0261654497	 0.1634690829	 0.0373595153	 0.121127
+H	 4.3673138841	 1.4343545816	-1.1429249609	 0.117487
+H	 1.5429584325	 0.6208261911	-0.1987070777	 0.120519
+H	 1.8922517785	 1.8946279578	-1.3596403991	 0.098184
+H	 2.9096037226	 0.1817495482	-2.9107782441	 0.078686
+H	-0.0596789931	 0.1452172248	-2.6150520644	 0.08883
+H	 0.1833426253	-2.1272503406	-3.9609469048	 0.138636
+H	 1.3987556894	-1.0334219265	-4.6694944953	 0.12639
+H	 2.7740623779	-2.0047475704	-0.8622823715	 0.097828
+19
+0 5522	3.2120342	1.188209	1.0492324	4.6153	75.04	-0.25931	0.01572	0.27503	1212.2117	0.158195	-422.577632	-422.569642	-422.568697	-422.610453	30.526
+C	 2.876042253	-0.7730876352	 1.3377299424	-0.37838
+C	 2.0563210347	-0.0218852323	 0.281574283	-0.234765
+C	 2.2599984966	-0.5885681618	-1.1194611509	 0.038111
+C	 1.3766792339	-0.0795730269	-2.2903037598	 0.073188
+C	 0.2588637276	-1.0366801209	-1.8274465572	-0.253341
+C	 1.5077054707	-1.9289614585	-1.5043857976	-0.199968
+C	 2.0513437606	-2.0827919002	-2.9174612619	 0.452082
+O	 2.4870447468	-3.0130326741	-3.5242845651	-0.351937
+O	 1.9444072806	-0.8052730588	-3.4251522364	-0.247619
+H	 2.7393742402	-0.3293675122	 2.3281244646	 0.119247
+H	 2.5789497518	-1.8250961691	 1.3999342099	 0.123334
+H	 3.9451441838	-0.7442110982	 1.1022716084	 0.123312
+H	 0.9992426809	-0.0310052629	 0.5671039614	 0.103133
+H	 2.3590331174	 1.0334283778	 0.2697998408	 0.107018
+H	 3.3285835385	-0.5857078489	-1.3613639328	 0.092733
+H	 1.2389380432	 0.9651385031	-2.5617972637	 0.095401
+H	-0.279142791	-0.7055132051	-0.9405059612	 0.118877
+H	-0.4372031393	-1.3881592395	-2.5917187303	 0.122
+H	 1.4828352298	-2.8235975364	-0.8881141836	 0.097576
+19
+0 5523	3.2100724	1.2320137	1.0862441	2.4074	76.22	-0.23286	-0.00836	0.2245	1173.81	0.15745	-422.553045	-422.544921	-422.543977	-422.585847	30.879
+C	 1.3774856201	 0.1124424629	-0.1555361036	-0.248132
+O	-0.0264206027	 0.2477480923	-0.0622232811	-0.256855
+C	-0.4724008844	 0.5931054718	 1.2167785562	 0.16424
+C	-1.9969012007	 0.869873635	 1.2362498376	-0.064328
+C	-1.6588049115	 2.2810720143	 0.6707612813	-0.242269
+C	-0.3857705443	 2.1367873178	 1.5745773932	-0.173587
+C	-1.0220327187	 2.1036332175	 2.9518102449	 0.430573
+O	-0.6716393834	 2.6401523996	 3.9684680566	-0.336271
+C	-2.2358884825	 1.1707184551	 2.7269010416	-0.342138
+H	 1.7561721448	-0.6392954132	 0.5532260199	 0.111867
+H	 1.6009924988	-0.2149093752	-1.1731513217	 0.132505
+H	 1.8969627002	 1.0619309333	 0.0357354144	 0.11464
+H	-0.0697413524	-0.1060416114	 1.9659151431	 0.069497
+H	-2.6847588055	 0.193986451	 0.7300584532	 0.078409
+H	-1.4023138911	 2.2561664431	-0.3866267277	 0.127447
+H	-2.3465084333	 3.1027624461	 0.8872354637	 0.101155
+H	 0.5157950889	 2.7334140794	 1.4553075837	 0.080999
+H	-2.1817798952	 0.2959337698	 3.3830061757	 0.124564
+H	-3.180502237	 1.6873566909	 2.921740059	 0.127683
+19
+0 5524	3.0316223	1.1889401	1.0369385	2.829	75.35	-0.23658	-0.00903	0.22755	1200.5725	0.158156	-422.564472	-422.55639	-422.555445	-422.59726	31.127
+O	 0.717701818	-2.0500360878	 0.8827914316	-0.415714
+C	 0.794346751	-0.6747105969	 0.5421833546	-0.111788
+C	-0.3126675512	 0.1391644815	 1.2006907076	 0.010985
+C	-0.2666052935	 1.6947275308	 1.0555334658	-0.046714
+C	 0.7240456648	 1.7086916981	 2.2561175253	-0.248606
+C	-0.1323515084	 0.4869390706	 2.7300345034	-0.145026
+C	-1.4633925869	 1.1844014077	 2.9826252546	 0.436356
+O	-2.2275130578	 1.057360001	 3.8996208394	-0.333915
+C	-1.5855422015	 2.1021680178	 1.7414211578	-0.337861
+H	 0.8626722513	-2.1287528949	 1.8311330449	 0.285092
+H	 1.7914235817	-0.2663514992	 0.760543793	 0.090898
+H	 0.6643010763	-0.6344433175	-0.545330049	 0.115174
+H	-1.268040015	-0.3325580659	 0.9440754609	 0.084953
+H	-0.0239974351	 2.1709878534	 0.1055147748	 0.072724
+H	 1.7437554006	 1.4322925853	 1.9901367994	 0.113805
+H	 0.740133478	 2.594999473	 2.8966899908	 0.106422
+H	 0.1958096897	-0.2270675026	 3.4842423819	 0.07279
+H	-2.483841409	 1.8659496774	 1.1630164762	 0.12619
+H	-1.6292757429	 3.1566945083	 2.0309539069	 0.124232
+19
+0 5525	3.8770806	1.0267835	1.0006098	3.142	76.56	-0.22673	0.00647	0.2332	1276.8959	0.156402	-422.513369	-422.504739	-422.503795	-422.546665	32.477
+C	 1.6198323609	 0.9972652887	-0.0094556188	-0.517823
+C	 0.2466646148	 0.4501279997	 0.156470776	 0.359221
+C	-0.9727347278	 0.9750239903	-0.0060059982	-0.210266
+C	-1.876806922	-0.2122893494	 0.3548180683	 0.023939
+O	-1.2002227146	-1.3196873862	-0.3398165144	-0.288692
+C	-0.1185651923	-0.9895269351	 0.5901990763	-0.058982
+C	-1.2132682883	-0.7235507037	 1.6776369881	-0.002309
+C	-1.8546903062	-1.9463392016	 2.3146232107	-0.099574
+O	-3.1043907337	-1.6359829982	 2.9203134895	-0.418778
+H	 2.1937760788	 0.9305262386	 0.9238084598	 0.127952
+H	 2.1842471106	 0.4333377045	-0.7630089095	 0.135119
+H	 1.5979172975	 2.0463709422	-0.3170054713	 0.130195
+H	-1.2779312869	 1.9665316396	-0.3073534084	 0.105615
+H	-2.9536325199	-0.168140662	 0.2024502362	 0.087485
+H	 0.6596095641	-1.7494450789	 0.6751779149	 0.074328
+H	-0.9772158987	 0.0423579389	 2.4252783531	 0.059983
+H	-2.066219836	-2.6921685291	 1.5453699213	 0.12978
+H	-1.1602732012	-2.3976954316	 3.0418676448	 0.082596
+H	-2.9372893992	-1.0256438567	 3.6457369216	 0.280211
+19
+0 5526	3.729761	1.0956329	1.0493188	2.6364	77.8	-0.22825	0.00954	0.23779	1249.8161	0.155644	-422.500475	-422.491774	-422.49083	-422.533967	32.191
+C	 1.4926495722	-0.198076089	-0.2163192211	-0.244166
+O	 0.1127225225	-0.0018542739	 0.0104356264	-0.248323
+C	-0.1648823326	 0.6759014481	 1.1893625655	 0.187804
+C	-0.2157898242	 2.259720161	 1.1285239345	-0.031267
+O	-1.4948840964	 2.1208720789	 0.4314095267	-0.279611
+C	-1.6821625534	 1.0060318841	 1.3543903775	-0.085316
+C	-1.6665492914	 1.7011163779	 2.7287287847	 0.350358
+C	-2.5586569331	 1.4015415303	 3.8813807139	-0.517203
+C	-0.6536481906	 2.5630309658	 2.559772646	-0.205364
+H	 1.9651368798	-0.7473256046	 0.612766842	 0.106517
+H	 1.5888587893	-0.7856165886	-1.1318048176	 0.132528
+H	 2.0264228781	 0.7542890162	-0.3489338546	 0.110051
+H	 0.3614499344	 0.235201652	 2.0484808377	 0.064226
+H	 0.518600504	 2.8813712714	 0.6185305248	 0.079615
+H	-2.4760340446	 0.3103652901	 1.0841192868	 0.08069
+H	-2.4806208319	 0.3499031682	 4.1850519427	 0.130354
+H	-2.3139479418	 2.0217160724	 4.7481601838	 0.129192
+H	-3.6113316151	 1.5746429648	 3.6246391111	 0.135617
+H	-0.2121719852	 3.267583625	 3.2500099091	 0.104298
+19
+0 5527	4.4389068	1.1300729	1.0930747	3.2077	73.83	-0.2459	0.06971	0.31561	1178.4935	0.15729	-422.495442	-422.487783	-422.486839	-422.52767	29.91
+C	 3.9582044962	-0.5326810635	-3.4175826795	-0.383736
+C	 3.0202295135	-1.5676820618	-2.7860176674	-0.212281
+C	 2.1367253927	-0.9779106438	-1.6947742236	 0.024576
+C	 0.8886764283	-0.1543597998	-2.1641861707	 0.00696
+O	 0.1919583838	-1.4079851701	-2.3792743567	-0.263725
+C	 0.9345637765	-1.85703336	-1.2163764423	-0.004098
+C	 0.344050299	-0.9656101699	-0.0850493309	 0.021416
+O	-0.8985314293	-0.3548659903	-0.4342780484	-0.225771
+C	 0.3107703615	 0.312697244	-0.7963155121	 0.024921
+H	 4.6184518925	-0.0823206025	-2.6678197474	 0.113945
+H	 4.5899806423	-0.9904515356	-4.1845448797	 0.117805
+H	 3.3962839564	 0.2781941651	-3.8934073256	 0.117556
+H	 2.383783953	-2.0192489632	-3.5536944634	 0.118482
+H	 3.6164963902	-2.3811858003	-2.3524535966	 0.095732
+H	 2.7371158228	-0.5173144031	-0.8998203839	 0.066573
+H	 0.8816007003	 0.5212662518	-3.0187368123	 0.086512
+H	 0.9789373801	-2.9390781853	-1.0955103053	 0.085098
+H	 0.559175929	-1.1114358869	 0.9674204405	 0.105049
+H	 0.4961867513	 1.2919849151	-0.3698620149	 0.104986
+19
+0 5528	2.8404843	1.6342708	1.3652616	2.5192	74.47	-0.23009	0.08482	0.31491	1016.4993	0.157717	-422.490708	-422.4831	-422.482156	-422.522999	29.605
+C	 1.5028804055	-0.0001361048	-0.1794774145	-0.244845
+O	 0.102169956	-0.1027046988	-0.074299025	-0.232578
+C	-0.3995942446	 0.4547512805	 1.095136961	 0.207759
+C	-1.9164281496	 0.3847649417	 1.3848543624	-0.148915
+C	-1.4935669179	 0.7627141535	 2.8557618191	-0.230181
+C	-0.2788001622	-0.1838482817	 2.5265618192	-0.154708
+C	-1.0483130995	-1.5147838765	 2.4206155294	 0.049356
+O	-1.237460482	-2.0471286978	 1.10468842	-0.23794
+C	-2.2013719192	-1.1167516555	 1.6105740962	 0.05154
+H	 2.0175489962	-0.5871104345	 0.5956504514	 0.108614
+H	 1.7836412602	-0.3914557026	-1.1597558212	 0.129152
+H	 1.8430946169	 1.0460046686	-0.1026300725	 0.097679
+H	-0.0649063067	 1.5016625867	 1.1698550306	 0.066927
+H	-2.6355391708	 0.9685897596	 0.8120708732	 0.070009
+H	-1.2253178438	 1.8131545163	 2.9908939913	 0.101996
+H	-2.1620039165	 0.4344646904	 3.6539924522	 0.10262
+H	 0.6460495451	-0.1600771689	 3.101297102	 0.065156
+H	-1.0742991149	-2.2250254333	 3.2409561512	 0.098458
+H	-3.2137026921	-1.4867165029	 1.736145774	 0.0999
+19
+0 5529	3.5932595	1.3073579	1.2075545	2.4315	74.3	-0.24112	0.08493	0.32605	1103.8075	0.157684	-422.484378	-422.476722	-422.475778	-422.516526	29.971
+C	 1.4720101371	 0.037980542	-0.067116009	-0.24496
+O	 0.067765764	 0.0542530146	 0.0607391992	-0.250474
+C	-0.3714717083	 0.6571637714	 1.2422415518	 0.1571
+C	-0.4046709069	-0.2704316949	 2.4964704897	 0.013189
+O	-1.5619786385	-0.9335800547	 1.8787397411	-0.299082
+C	-1.8853865629	 0.434289904	 1.4415017298	 0.024933
+C	-2.2350729261	 1.1131949327	 2.7800060363	-0.046276
+C	-1.2550070609	 2.0550911323	 3.4362925524	-0.311055
+C	-1.0766425035	 0.5646127983	 3.6038618062	-0.045037
+H	 1.9530618111	-0.5650637815	 0.7171423482	 0.107938
+H	 1.701055054	-0.4045488268	-1.0390634598	 0.131587
+H	 1.8965836795	 1.0539741522	-0.0296967503	 0.103039
+H	 0.0565369261	 1.6619775302	 1.3296912321	 0.060615
+H	 0.4019431312	-0.9515883471	 2.7658261257	 0.080064
+H	-2.5925327489	 0.4796434241	 0.6143415689	 0.084926
+H	-3.2615834062	 1.0724346914	 3.1228754269	 0.100239
+H	-0.5635284098	 2.6584654817	 2.8623764268	 0.120356
+H	-1.6336452683	 2.5715781135	 4.3139825654	 0.113577
+H	-1.2214045028	 0.1092872165	 4.5760980186	 0.09932
+19
+0 5530	3.3590408	1.2864597	1.1956669	0.386	73.11	-0.2511	0.05968	0.31078	1091.9769	0.158681	-422.507831	-422.500299	-422.499355	-422.539904	29.896
+O	 1.4925723045	 0.5936419574	-0.2552718654	-0.417888
+C	 0.1449032205	 0.2282640415	 0.0184495924	-0.112995
+C	-0.7251759892	 0.3023616514	-1.2277365346	 0.022586
+C	-2.2421689046	-0.1298565193	-1.2231148389	-0.112598
+C	-2.0735115887	-0.2834806451	-2.7611536848	-0.218645
+C	-0.6609680012	-0.7974128358	-2.3666812219	-0.113465
+C	-0.996106401	-2.0661190763	-1.551198937	 0.043863
+O	-2.31701085	-2.5996822226	-1.7436531365	-0.254232
+C	-2.1169706562	-1.5924402227	-0.7380652384	 0.044893
+H	 1.8463730658	-0.0431809348	-0.884320406	 0.282209
+H	 0.0914927338	-0.7610210241	 0.4937836445	 0.087908
+H	-0.2121494944	 0.9581743882	 0.7540363136	 0.111145
+H	-0.6090657495	 1.3004949302	-1.662581121	 0.082702
+H	-3.0191553919	 0.4922301483	-0.7795439397	 0.066951
+H	-2.7378009809	-0.9688161071	-3.2818463326	 0.1219
+H	-2.0278975452	 0.6839622651	-3.2621753755	 0.098731
+H	 0.1576544901	-0.8483746098	-3.0848036932	 0.063594
+H	-0.2414005995	-2.7750606043	-1.2285258087	 0.10013
+H	-2.3253633224	-1.8914494802	 0.2831859536	 0.103209
+19
+0 5531	3.517463	1.2394257	1.1494717	1.5694	73.56	-0.24526	0.06896	0.31422	1127.9334	0.158469	-422.502418	-422.494779	-422.493835	-422.534524	30.275
+O	 1.3389792829	 0.8885434104	-0.0119559074	-0.422873
+C	 0.3190067636	 0.0139476955	 0.4552183059	-0.10959
+C	-0.8779279398	 0.7797476739	 1.0061048407	-0.004288
+C	-0.7058162318	 1.3314496318	 2.4456998964	 0.045162
+O	-0.9210983095	-0.0430590302	 2.9318558012	-0.305806
+C	-1.8846089764	-0.0794685333	 1.8127374951	 0.037071
+C	-2.9703012568	 0.8920812122	 2.3171216139	-0.041765
+C	-3.0699688126	 2.2812802585	 1.7393417746	-0.309831
+C	-2.0480598757	 1.9976137522	 2.8113808729	-0.042894
+H	 1.7569691349	 1.2885245539	 0.7566801894	 0.28288
+H	 0.0055654698	-0.56395081	-0.4215434209	 0.105997
+H	 0.6963912659	-0.6898032591	 1.2063600771	 0.110165
+H	-1.2507553302	 1.4510854529	 0.2319053005	 0.075113
+H	 0.2137830918	 1.7880184653	 2.8155142109	 0.067734
+H	-2.178632106	-1.0883724696	 1.5220262613	 0.078249
+H	-3.774172807	 0.4943871633	 2.9242276459	 0.099178
+H	-2.7827582955	 2.4975816456	 0.7179684039	 0.1229
+H	-3.9326604467	 2.8549708723	 2.0662771625	 0.114097
+H	-2.151364871	 2.4404030544	 3.794326636	 0.0985
+19
+0 5532	2.7909079	1.3161807	1.0505437	3.4364	75.46	-0.24259	0.06365	0.30624	1198.2199	0.155431	-422.454118	-422.445706	-422.444762	-422.487401	31.819
+C	-0.3311918599	 0.4017285629	-0.1438771048	-0.37287
+C	 0.2384073849	 1.4255830718	-1.1336739217	-0.236262
+C	 0.6759315385	 0.7811361507	-2.4411128378	 0.049501
+C	 1.5730232585	 1.4911077864	-3.4983000617	-0.105768
+O	 1.8702891766	 0.1528038161	-4.0708457563	-0.311161
+C	 1.9970638816	-0.0348769948	-2.6028662036	-0.087424
+C	 2.78541629	 1.2845801028	-2.5753069358	 0.554056
+C	 3.6140889945	 2.054073379	-1.6576748722	-0.309962
+O	 4.1300631005	 1.4779746012	-2.8814147515	-0.279678
+H	-0.6739468815	 0.8879277112	 0.7742708683	 0.116492
+H	-1.1825937368	-0.1348512228	-0.5760721939	 0.120909
+H	 0.4214626059	-0.343716501	 0.134313507	 0.11803
+H	-0.5270474497	 2.1791172879	-1.3593111139	 0.104309
+H	 1.0708794841	 1.9640518778	-0.6698848569	 0.103399
+H	-0.1434362671	 0.2572771398	-2.9413162215	 0.088658
+H	 1.3396248588	 2.2988181482	-4.1913340763	 0.100286
+H	 2.2656489398	-1.0270450413	-2.2420806503	 0.101106
+H	 3.5563038324	 3.1414333499	-1.6473929307	 0.1233
+H	 3.9854326888	 1.5991470142	-0.7406257465	 0.123078
+19
+0 5533	4.2532708	1.0789568	0.9988257	2.2248	76.58	-0.24995	0.09169	0.34164	1239.1178	0.156353	-422.463567	-422.455349	-422.454405	-422.496398	31.169
+C	 1.4400086554	-0.0667068052	-0.3429747109	-0.245709
+O	 0.0434245497	 0.0230965754	-0.1579412906	-0.256752
+C	-0.3131676106	 0.5939621178	 1.064651302	 0.194342
+C	-0.3067732657	 2.1603598829	 1.2182826927	-0.214076
+C	-1.5278227521	 2.1716347157	 0.2367635254	-0.234696
+C	-1.8114474465	 0.9706351985	 1.2045191644	-0.211552
+C	-1.3385845947	 1.9092959261	 2.3232053148	 0.556049
+C	-1.3475473172	 1.9016571129	 3.7779838283	-0.322561
+O	-2.1032283865	 2.8688107037	 3.0023566066	-0.3004
+H	 1.9177371904	-0.6475729506	 0.4611493557	 0.106823
+H	 1.6082788944	-0.5764139426	-1.2943153301	 0.13007
+H	 1.9136176808	 0.9251669378	-0.38077662	 0.110345
+H	 0.1329645637	 0.0357270885	 1.9010257035	 0.063369
+H	 0.5469897228	 2.8367649648	 1.2416696699	 0.077718
+H	-2.2017585979	 3.0251129083	 0.3187683659	 0.111983
+H	-1.3130088306	 1.9042956235	-0.7960287808	 0.113172
+H	-2.6634486256	 0.2921063896	 1.2058955466	 0.083322
+H	-1.9531698265	 1.1778448033	 4.3212782929	 0.119912
+H	-0.5107961533	 2.3179313797	 4.3370746239	 0.118639
+19
+0 5534	2.7568667	1.4353041	1.103531	1.7937	76.73	-0.23489	0.0695	0.30439	1152.8398	0.15532	-422.445491	-422.437017	-422.436073	-422.478721	31.868
+C	 1.3558235512	-0.1557075247	-0.138134903	-0.239187
+O	-0.0434619119	-0.1582382858	 0.0601100621	-0.243273
+C	-0.4495117254	 0.6372833031	 1.1230971507	 0.167876
+C	-1.9308396105	 0.5542340781	 1.5597885534	-0.120515
+O	-1.5085182945	 1.1681214118	 2.8437526756	-0.30621
+C	-0.5175193033	 0.0943044967	 2.5966093513	-0.115796
+C	-1.668509662	-0.8266251678	 2.1762441021	 0.484412
+C	-1.7754199099	-2.2286628575	 1.6963438894	-0.339485
+C	-2.534575506	-1.765715185	 2.9359677502	-0.372538
+H	 1.8917564302	-0.5941798798	 0.7163903463	 0.109445
+H	 1.5574139653	-0.756297012	-1.027708732	 0.130993
+H	 1.7386403194	 0.8631629871	-0.3005444566	 0.111143
+H	-0.06175765	 1.6626236576	 1.0673247978	 0.081165
+H	-2.8217617469	 0.9519088965	 1.0734621728	 0.094794
+H	 0.2646822254	-0.050163083	 3.342456175	 0.090691
+H	-2.3401416542	-2.4212592411	 0.7903186639	 0.119224
+H	-0.9247972797	-2.8880718993	 1.834900365	 0.113582
+H	-3.6110760695	-1.6508086584	 2.8611388637	 0.117455
+H	-2.1928249877	-2.1163427563	 3.9045005521	 0.116223
+19
+0 5535	3.9861855	1.0315353	0.9509355	0.252	76.12	-0.2589	0.06927	0.32817	1271.5314	0.156983	-422.473759	-422.465558	-422.464614	-422.506611	31.533
+O	 1.5846891318	 0.1778469363	-0.5782428079	-0.416308
+C	 0.54601511	-0.1996453391	 0.3174657728	-0.122016
+C	-0.0588663749	 1.0101937472	 1.0116393179	 0.031308
+C	-1.0804429034	 1.9488028226	 0.2699492374	-0.179467
+C	-2.1749212611	 0.8524821549	 0.4849762476	-0.24628
+C	-1.387400968	 0.9025603547	 1.8375129994	-0.181935
+C	-1.4570247028	 2.4292376429	 1.6791998503	 0.564624
+C	-1.1707117292	 3.5874380155	 2.5084016142	-0.3211
+O	-2.5116376872	 3.2789649495	 2.0381508198	-0.306385
+H	 1.1898927892	 0.7204164254	-1.2683841071	 0.28284
+H	-0.2094552061	-0.8133683195	-0.1906281555	 0.091603
+H	 1.026103504	-0.8397004599	 1.0659963559	 0.11249
+H	 0.7432663825	 1.5551313914	 1.5215111608	 0.076492
+H	-0.9099388998	 2.5602783953	-0.6171116431	 0.076215
+H	-3.2059811924	 1.2082051769	 0.51867936	 0.117846
+H	-2.0929295844	-0.0589840859	-0.1063154425	 0.097604
+H	-1.5645625614	 0.3129062348	 2.7369676452	 0.081022
+H	-1.0262800817	 3.4748051133	 3.5817687432	 0.120846
+H	-0.7287101952	 4.4823942537	 2.0732032817	 0.120602
+19
+0 5536	2.7634207	1.3061194	1.0369927	2.0154	75.84	-0.23588	0.06035	0.29623	1191.9906	0.155951	-422.454646	-422.446186	-422.445242	-422.48786	32.276
+O	 1.7671051801	 0.2082670184	 0.2479565992	-0.415464
+C	 0.3553556811	 0.3198016753	 0.1072094083	-0.117653
+C	-0.0263496513	 0.9916974583	-1.2014640505	 0.015538
+C	-0.1087618963	 0.2343592731	-2.5669638216	-0.080377
+O	-0.9182233423	 1.3658860595	-3.0825183863	-0.305025
+C	-1.4847133124	 1.0512267703	-1.7450406132	-0.084433
+C	-1.4191964277	-0.4347193768	-2.128183871	 0.459065
+C	-1.8192880148	-1.729617232	-1.5043712221	-0.359187
+C	-2.3737781482	-1.304201216	-2.8600487073	-0.361831
+H	 2.0867508392	-0.3686496426	-0.4528563284	 0.282219
+H	-0.1362397915	-0.6542214917	 0.2211483436	 0.100449
+H	 0.0292295928	 0.9491387496	 0.9429196275	 0.11262
+H	 0.4846818751	 1.951523077	-1.3116519301	 0.092315
+H	 0.6874773583	-0.145154551	-3.2097309816	 0.092006
+H	-2.331375831	 1.6474896898	-1.4021456057	 0.094748
+H	-1.1008075963	-2.5433134119	-1.4821839137	 0.116071
+H	-2.4909370301	-1.7118106331	-0.6516633426	 0.119444
+H	-2.0226611128	-1.8332874069	-3.740003395	 0.119217
+H	-3.4148847819	-1.0023767995	-2.9097298296	 0.120278
+19
+0 5537	2.5848587	1.2532231	0.9686791	1.1754	76.41	-0.24184	-0.03822	0.20362	1265.13	0.155039	-422.493061	-422.484207	-422.483263	-422.527181	32.238
+C	 2.1206522919	-0.9338207427	 1.2929970057	-0.379351
+C	 1.8575350602	-2.3068400349	 0.6631745012	-0.22052
+C	 2.0987070967	-2.3135574989	-0.8372332797	 0.030387
+C	 1.4993386899	-3.4634777132	-1.689951787	-0.001477
+O	 0.1469729518	-2.9231984972	-1.4620076899	-0.308874
+C	 1.0003389242	-1.7483457951	-1.7891493955	 0.026977
+C	 1.5760383182	-2.5597905728	-2.9756071811	-0.074167
+C	 2.8793604088	-2.2374657772	-3.6487580338	 0.120087
+O	 3.6093582028	-1.3183009175	-3.3678013474	-0.249226
+H	 1.9649781125	-0.9621163824	 2.3756023467	 0.115024
+H	 3.1483975216	-0.6006850084	 1.1115110903	 0.118758
+H	 1.4494504457	-0.1723556695	 0.8815529302	 0.117408
+H	 2.5186937218	-3.0512699327	 1.1258180167	 0.094903
+H	 0.8306276411	-2.6258806974	 0.8614722141	 0.118354
+H	 3.1163224382	-2.013392755	-1.095288349	 0.101926
+H	 1.6315268467	-4.5439761932	-1.6171932071	 0.099832
+H	 0.5220712852	-0.7693686253	-1.8085569119	 0.103396
+H	 0.8215993874	-2.8631742442	-3.7070230003	 0.103644
+H	 3.1415377952	-2.9376667824	-4.4753596221	 0.082921
+19
+0 5538	1.932868	1.8472812	1.1204792	3.8501	77.23	-0.23589	-0.00754	0.22835	1132.7683	0.155739	-422.500824	-422.492182	-422.491238	-422.53462	31.548
+C	 1.3838034628	-0.2909257063	-0.0903273906	-0.249382
+O	-0.0196709355	-0.2138514749	 0.0651219673	-0.245409
+C	-0.422054031	 0.577356009	 1.1432936066	 0.182679
+C	-1.9235935519	 0.5015918954	 1.4986753962	-0.095681
+C	-1.5198132703	 1.0597315511	 2.8940041024	-0.237335
+C	-0.4633268003	-0.0393105843	 2.5838258563	-0.127744
+C	-1.6505041651	-0.9237217386	 2.0904596447	-0.053314
+C	-1.4424075303	-2.1064434153	 1.1687700203	 0.127178
+O	-2.3228963384	-2.5642247815	 0.4848821679	-0.264048
+H	 1.8662991097	-0.7731066552	 0.7719269121	 0.111484
+H	 1.5769115137	-0.8859980048	-0.9850723402	 0.137897
+H	 1.8255837954	 0.7077961686	-0.2223516023	 0.112758
+H	 0.0110268172	 1.5854362656	 1.0715546902	 0.068303
+H	-2.764580993	 0.796303285	 0.8727196211	 0.091616
+H	-1.1618412514	 2.092145877	 2.9261470019	 0.097531
+H	-2.2085100627	 0.8475362268	 3.713476148	 0.104417
+H	 0.3756707887	-0.3405061435	 3.2122058024	 0.075918
+H	-2.3595083306	-1.2189552539	 2.8734056414	 0.095997
+H	-0.439655147	-2.5868130701	 1.2139898243	 0.067134
+19
+0 5539	1.9690386	1.5896772	1.0390329	3.269	76.55	-0.25134	-0.02776	0.22358	1185.5168	0.156102	-422.504273	-422.495455	-422.494511	-422.538597	32.061
+O	-2.7849891914	-2.8140610456	-2.5135298388	-0.417524
+C	-2.4922627413	-2.004921096	-1.3781569526	-0.136923
+C	-3.7552008751	-1.7345910546	-0.570399227	 0.044368
+C	-4.2403291772	-2.666189309	 0.5928871766	-0.102129
+C	-5.2091556924	-1.5088543485	 0.9786597904	-0.223966
+C	-3.834299916	-0.8226652846	 0.7034759152	-0.085155
+C	-3.209349189	-1.9667893975	 1.5491019196	-0.035306
+C	-1.7317893352	-2.2391859963	 1.5829105634	 0.098364
+O	-0.8759835284	-1.4057487345	 1.4138923321	-0.246936
+H	-3.0563742025	-3.6806207741	-2.1946104665	 0.280586
+H	-1.6851699565	-2.4497503798	-0.7866267779	 0.101576
+H	-2.1056788875	-1.0621894281	-1.7801413329	 0.122066
+H	-4.5477394095	-1.512567648	-1.294006424	 0.079977
+H	-4.476107756	-3.7313666308	 0.549077599	 0.073057
+H	-6.0099142894	-1.2942049823	 0.2678071483	 0.100089
+H	-5.5673078715	-1.4916616488	 2.0110565356	 0.094086
+H	-3.5987644072	 0.2388772284	 0.7700076138	 0.088054
+H	-3.5359222136	-1.994922108	 2.6007469415	 0.093728
+H	-1.4614731104	-3.2858179919	 1.862457904	 0.071985
+19
+0 5540	3.4403496	1.2783413	1.1827935	2.3541	76.18	-0.23431	0.0041	0.23840999999999998	1128.2492	0.157583	-422.527303	-422.519367	-422.518423	-422.559678	30.486
+C	 1.4414064321	-0.1505171932	 0.0414944014	-0.244073
+O	 0.0384476817	-0.0169551623	 0.1071378823	-0.253262
+C	-0.3948736932	 0.748465988	 1.1940505483	 0.166729
+C	-1.9126968011	 0.9978251906	 1.0901022747	 0.046724
+C	-2.5162846079	 1.416680792	 2.4390121148	-0.271979
+C	-1.6505230722	 2.5109548172	 3.0342792939	-0.06945
+C	-0.5962483837	 2.9472379399	 2.3429114994	-0.054491
+C	-0.3710312786	 2.2972263356	 0.9946944061	-0.016486
+O	-1.6539981628	 2.197718941	 0.307780729	-0.294552
+H	 1.8463328051	-0.6195353737	 0.9519528967	 0.10574
+H	 1.6654052866	-0.7890485155	-0.8158751383	 0.131497
+H	 1.9437339804	 0.8179501398	-0.0992848554	 0.108135
+H	 0.0140954171	 0.370413748	 2.1416160731	 0.066835
+H	-2.5004907917	 0.2569410682	 0.5426624177	 0.08497
+H	-3.5449920186	 1.772129334	 2.2949308582	 0.118513
+H	-2.5771250095	 0.5536420359	 3.1156873543	 0.108775
+H	-1.920083115	 2.9223889108	 4.0024737287	 0.096017
+H	 0.0798908766	 3.7115611162	 2.7106594957	 0.09194
+H	 0.4009621147	 2.7563118076	 0.3743879394	 0.078416
+19
+0 5541	3.4222505	1.226207	1.1237661	2.8483	75.28	-0.23652	0.00439	0.24091	1148.0247	0.158294	-422.542503	-422.5346	-422.533656	-422.57484	30.76
+O	 1.3102835833	 0.7951881472	-0.0169115005	-0.41943
+C	 0.329227046	-0.0459564303	 0.5737466809	-0.095873
+C	-0.928366084	 0.7139156662	 0.9674346357	-0.022482
+C	-2.1698430914	-0.190002774	 1.1701019803	 0.07164
+C	-3.2978370619	 0.5307296613	 1.9250090168	-0.272858
+C	-3.5160574502	 1.8926384567	 1.2951622165	-0.064038
+C	-2.7777872272	 2.2355955358	 0.2392529368	-0.062135
+C	-1.7776628616	 1.2023817448	-0.2354771063	 0.043494
+O	-2.4423835342	-0.1037942547	-0.2579647592	-0.300834
+H	 1.5878484572	 1.4355858158	 0.6461189865	 0.280683
+H	 0.0803104073	-0.794433712	-0.1842271289	 0.12658
+H	 0.733733286	-0.5800385582	 1.449186458	 0.083512
+H	-0.7182750763	 1.4565823332	 1.7449259232	 0.061874
+H	-2.0207054651	-1.2225010187	 1.5025603039	 0.072954
+H	-4.217608592	-0.0667828708	 1.8751052708	 0.117838
+H	-3.0471305777	 0.625782975	 2.9905064024	 0.105531
+H	-4.2773131104	 2.5454895773	 1.7118360828	 0.094727
+H	-2.865270385	 3.1931845404	-0.2625404025	 0.092575
+H	-1.2775356831	 1.433063895	-1.1771650171	 0.086243
+19
+0 5542	2.653093	1.2265499	1.0054951	2.2683	76.91	-0.23707	-0.00611	0.23096	1247.5999	0.155366	-422.550997	-422.541555	-422.540611	-422.585452	34.102
+C	-0.997312256	-2.3848038087	 0.8955804303	-0.496013
+C	-1.0206199335	-1.0939138528	 0.1286143024	 0.220171
+C	-1.8826333683	-0.8749395087	-1.111474648	-0.335963
+C	-2.0661505445	 0.066297893	 0.021781833	-0.086115
+C	-0.9587970941	 1.1312818116	-0.0262686711	-0.120949
+C	-0.9121032932	 2.1084939882	 1.1359299497	-0.092746
+O	-2.0229613848	 2.9850324843	 1.0091312478	-0.427472
+C	 0.0425361631	-0.0422401688	 0.1744240855	 0.346566
+O	 1.1924431847	-0.0614128143	 0.5232085864	-0.331238
+H	-0.3347861925	-3.1130174896	 0.4154246844	 0.136157
+H	-0.6338675978	-2.2298444994	 1.916275534	 0.131349
+H	-1.9960842856	-2.8291396232	 0.9501031184	 0.121074
+H	-1.4407835222	-0.5311907418	-2.0434579966	 0.119507
+H	-2.6434157555	-1.6391119145	-1.2395404094	 0.122418
+H	-2.985965634	 0.1613119691	 0.5832710951	 0.112464
+H	-0.8957328772	 1.6815488703	-0.9712349674	 0.096355
+H	-0.9463028875	 1.5562070302	 2.089004769	 0.08873
+H	 0.0435027151	 2.651614078	 1.106464047	 0.107548
+H	-1.9933362964	 3.6125906873	 1.7376158996	 0.288158
+19
+0 5543	2.8521349	1.206064	0.9642703	2.4768	77.26	-0.24148	-0.00685	0.23463	1272.1459	0.155379	-422.550341	-422.541124	-422.54018	-422.584447	34.012
+C	 1.4848410359	-0.1448377717	 1.3503272849	-0.389997
+C	 0.9450521397	 0.1750598537	-0.0468461569	-0.18603
+C	 1.5979858729	-0.6552155063	-1.1507472978	-0.109064
+C	 1.1278413973	-2.1068131433	-1.3338368182	-0.14168
+C	 1.86018521	-2.7334611606	-2.473984779	-0.335273
+C	 0.7365481967	-1.8231454021	-2.866136522	 0.328223
+O	-0.2639674005	-2.2703723687	-3.680737619	-0.443723
+C	 0.9697225729	-0.3949014921	-2.5481226486	 0.298077
+O	 0.4415421093	 0.5858188915	-3.0136573631	-0.351737
+H	 1.3145082476	-1.1933477001	 1.6175988735	 0.115954
+H	 2.5631432382	 0.0393144465	 1.4088501431	 0.117708
+H	 0.9988548037	 0.4747677124	 2.110208715	 0.117766
+H	-0.1410960052	 0.0214399371	-0.074341253	 0.099505
+H	 1.1043875365	 1.2336605203	-0.2796457766	 0.119201
+H	 2.6898731271	-0.556673268	-1.1089697942	 0.085228
+H	 0.5366330716	-2.6661559458	-0.6211153652	 0.116606
+H	 2.8964124878	-2.4685232819	-2.6746785655	 0.120633
+H	 1.6202156362	-3.7741768095	-2.6729371876	 0.136141
+H	-0.9135735276	-1.5570231413	-3.7441230897	 0.302465
+19
+0 5544	2.7263669	1.1990987	0.9829317	2.738	76.53	-0.23732	-0.02308	0.21424	1287.9209	0.15431	-422.541267	-422.53177	-422.530826	-422.575799	34.1
+C	 1.6834737693	 1.106780347	 0.6520745951	-0.389474
+C	 1.0709072856	-0.2352532172	 0.2381438769	-0.189213
+C	 1.6712699253	-0.800087772	-1.0505530781	-0.154778
+C	 1.1943140221	-0.2107692691	-2.3926040258	-0.047484
+O	 1.8051844656	-0.9991092901	-3.4073251936	-0.275576
+C	 0.554453658	-1.4775962767	-2.850973131	 0.274329
+C	-0.5729990083	-1.8021565025	-3.77132324	-0.512942
+C	 0.9541000999	-2.1086982514	-1.5168215803	 0.377267
+O	 0.6427647057	-3.1152067431	-0.9506369577	-0.310222
+H	 1.2340620798	 1.4724818906	 1.580308567	 0.119776
+H	 2.7622284048	 1.0132410148	 0.8161001227	 0.122324
+H	 1.5314649393	 1.8739226343	-0.1147396565	 0.116644
+H	 1.2166953372	-0.9761798684	 1.0320510208	 0.123757
+H	-0.0154756049	-0.1286184807	 0.1204010138	 0.098303
+H	 2.761757586	-0.8662188125	-0.9870660349	 0.105955
+H	 0.904764269	 0.8052228999	-2.6347613042	 0.117894
+H	-1.5073826074	-1.902652519	-3.2111060806	 0.138393
+H	-0.6909178788	-1.0187646979	-4.5244593478	 0.138027
+H	-0.3863432183	-2.7499482361	-4.2862391958	 0.147019
+19
+0 5545	2.9912897	1.2648339	0.9936629	3.9159	77.63	-0.23623	-0.01236	0.22386999999999999	1241.9455	0.154913	-422.535163	-422.525759	-422.524814	-422.569599	33.689
+C	 1.4211247877	-0.1588125375	-0.3089188701	-0.238275
+O	 0.0375224394	-0.0476031305	-0.0440106185	-0.238745
+C	-0.245385682	 0.5833055889	 1.1708855433	 0.000584
+C	-0.086190871	-0.2111033324	 2.4801251941	-0.132975
+C	-0.9556321872	-1.41710014	 2.4157186159	-0.322129
+C	-1.6172969367	-0.0911659139	 2.7768973444	 0.209235
+C	-2.3785143457	 0.1317120097	 4.051387864	-0.495541
+C	-1.7588296975	 0.7164844429	 1.5243513923	 0.335509
+O	-2.6376760226	 1.4006377078	 1.081152425	-0.316018
+H	 1.9340807544	-0.7758215683	 0.4433412528	 0.111091
+H	 1.525715928	-0.6335231441	-1.2870354337	 0.133059
+H	 1.9050010296	 0.8295815231	-0.3368628955	 0.108736
+H	 0.2320478147	 1.5753782956	 1.2255118116	 0.088712
+H	 0.7097633036	-0.0866744823	 3.2030363022	 0.102338
+H	-1.1458009484	-1.8884177619	 1.4570712517	 0.138023
+H	-0.8893171096	-2.1064500385	 3.2515486291	 0.122172
+H	-1.9174004618	-0.4042028229	 4.8868079711	 0.121401
+H	-2.4207751744	 1.1954004405	 4.3058667967	 0.132414
+H	-3.4088607902	-0.2262301364	 3.9534519837	 0.140409
+19
+0 5546	2.3257281	1.5029785	1.0342339	0.7306	75.17	-0.25386	0.07073	0.32459	1195.4957	0.155317	-422.489999	-422.481377	-422.480432	-422.523424	32.171
+C	 3.3432491346	 0.8797221105	-0.0821083468	-0.391623
+C	 2.4766702253	-0.3773034305	-0.2082951996	-0.175166
+C	 2.3700202981	-0.8851775604	-1.6451227833	-0.141925
+C	 1.4021622599	-0.1019418214	-2.564186842	 0.035498
+O	 1.3070948383	-0.822398798	-3.796868127	-0.245581
+C	 0.4896785135	-1.2520041164	-2.6964909218	-0.09494
+C	 1.3999320032	-2.0908111399	-1.8128835661	 0.431754
+C	 1.6001283428	-3.5346119575	-1.7476045486	-0.260925
+O	 0.919129474	-2.818481836	-0.6988816462	-0.270892
+H	 3.4012942786	 1.2135240724	 0.9582870041	 0.11738
+H	 4.364940417	 0.6929499937	-0.4304774577	 0.117961
+H	 2.9415263207	 1.7100332118	-0.673075373	 0.115937
+H	 2.8868760779	-1.1792105943	 0.4154959982	 0.110771
+H	 1.470958427	-0.18259975	 0.1838072487	 0.10379
+H	 3.3611938766	-1.0226844279	-2.0898007111	 0.085367
+H	 1.1941420704	 0.9613933077	-2.5869818427	 0.109702
+H	-0.5819252031	-1.3153497388	-2.8452445336	 0.112938
+H	 0.9738817472	-4.200235312	-2.3394528682	 0.120632
+H	 2.576776998	-3.9316638531	-1.4751699933	 0.119322
+19
+0 5547	2.3960658	1.6875395	1.141661	1.9992	76.05	-0.23549	0.07213	0.30762	1109.9419	0.155749	-422.481666	-422.473173	-422.472228	-422.514663	31.935
+C	 1.3982727352	-0.1348731065	 0.0677667297	-0.242115
+O	-0.0016474463	 0.0709376789	 0.1060779589	-0.238747
+C	-0.4615398804	 0.6059848798	 1.3149058087	 0.033589
+C	-1.9825432432	 0.7952518789	 1.2619849728	-0.070986
+C	-2.4542543928	 1.5504469447	 2.46928274	-0.300915
+C	-1.8359212326	 2.3198729922	 1.3293661533	-0.141801
+C	-0.3329906136	 2.1604522103	 1.4100372887	 0.431812
+C	 0.6889800947	 3.0318473817	 1.9939764679	-0.27653
+O	 0.5556135039	 2.8643250493	 0.5685535031	-0.269063
+H	 1.7279658084	-0.7860058916	 0.8929357034	 0.098037
+H	 1.6199193646	-0.6307012515	-0.8803463745	 0.12626
+H	 1.9473185764	 0.8121245595	 0.1140217918	 0.129619
+H	-0.0696241665	 0.0295811862	 2.1699826836	 0.059701
+H	-2.6337649724	 0.1951686193	 0.6406060992	 0.101911
+H	-3.530558945	 1.6489855403	 2.5654780932	 0.11993
+H	-1.9315367533	 1.4606403516	 3.4191891232	 0.109362
+H	-2.3576292885	 3.0952266245	 0.7827925804	 0.100657
+H	 0.4109825107	 4.0148729765	 2.3716212318	 0.116924
+H	 1.5921377906	 2.604234916	 2.4272963149	 0.112355
+19
+0 5548	2.2949798	1.5922683	1.0761787	1.3511	76.27	-0.24386	0.0767	0.32056	1162.7583	0.15535	-422.478946	-422.470278	-422.469334	-422.512386	32.204
+C	 1.3577538673	 0.1076887894	-0.176897907	-0.237446
+O	-0.0299814613	 0.063137696	 0.0838809553	-0.240848
+C	-0.3856090547	 0.6514037803	 1.3058170794	 0.013009
+C	-0.2658504246	-0.260369005	 2.5630126981	-0.014676
+O	-0.8295793048	 0.4831108112	 3.6459423172	-0.246654
+C	-1.7211614596	-0.2301671571	 2.765344092	-0.075895
+C	-1.9160475067	 0.6229070019	 1.5299348448	 0.335276
+C	-2.9188283512	 0.3970335183	 0.4401387155	-0.314154
+C	-2.9410389478	 1.6769337773	 1.2442996484	-0.330345
+H	 1.93975947	-0.4481952883	 0.5727370369	 0.109006
+H	 1.516132573	-0.3516784614	-1.1552830811	 0.130111
+H	 1.7304457369	 1.1429478203	-0.202361581	 0.110581
+H	 0.0981572845	 1.6307046743	 1.4343321244	 0.075773
+H	 0.4681998922	-1.0254014153	 2.7881161085	 0.106603
+H	-2.3923149908	-0.9520091828	 3.2168434873	 0.103863
+H	-2.5490141784	 0.4298400931	-0.5781356694	 0.130002
+H	-3.7037649165	-0.3323223676	 0.6129714773	 0.112782
+H	-2.6052724607	 2.5885528188	 0.7605957275	 0.117224
+H	-3.7396612068	 1.8218802665	 1.9644064357	 0.115789
+19
+0 5549	2.5307814	1.6141225	1.13242	2.7462	75.06	-0.25289	0.07479	0.32767999999999997	1100.3395	0.15719	-422.501901	-422.493787	-422.492843	-422.534362	31.558
+O	 1.6375609134	 0.5425916546	-0.0393828028	-0.432431
+C	 0.252484647	 0.395878717	-0.2849693289	-0.073166
+C	-0.0608264048	 0.3961010534	-1.7824587773	-0.124824
+C	-1.4676439066	-0.1248668549	-2.1429365731	-0.054795
+C	-1.5957483759	-0.3187127287	-3.6237603538	-0.299199
+C	-0.8646688372	-1.3655273873	-2.8177013709	-0.135209
+C	 0.5171924562	-0.8491239289	-2.4944266062	 0.445269
+C	 1.8075449441	-1.084374299	-3.1412709733	-0.26879
+O	 1.5025162692	-1.6608218375	-1.8515042784	-0.293735
+H	 2.0411797885	-0.2668334973	-0.3798769618	 0.291881
+H	-0.1439220951	-0.5247962074	 0.1718475192	 0.09006
+H	-0.2498756321	 1.2415519549	 0.1976600418	 0.105028
+H	 0.2154887769	 1.3634840032	-2.2162726008	 0.078587
+H	-2.3299062735	-0.0685902511	-1.4897722478	 0.093719
+H	-2.5771212684	-0.618346614	-3.977508258	 0.118652
+H	-1.0516690178	 0.3229175488	-4.3130598187	 0.111739
+H	-1.1733631732	-2.4025730943	-2.779722459	 0.100689
+H	 1.8858970413	-1.805164226	-3.9532196002	 0.121642
+H	 2.570643778	-0.3082374754	-3.12688993	 0.124881
+19
+0 5550	2.3390013	1.4546658	1.0194887	1.8908	75.09	-0.25369	0.06159	0.31528	1190.2509	0.155901	-422.492426	-422.483776	-422.482832	-422.525739	32.604
+O	 1.3797134998	 0.6653282299	 0.103376297	-0.421332
+C	 0.1503144159	-0.0156855639	 0.3044924152	-0.074756
+C	-1.0583086114	 0.9049056303	 0.1808417353	-0.158006
+C	-1.3051622089	 1.8107237237	 1.4117940416	 0.031099
+O	-2.5338600647	 2.5102029935	 1.207612232	-0.250107
+C	-2.5933904099	 1.1594937921	 1.6967635811	-0.076363
+C	-2.4284798573	 0.2399597622	 0.5037845277	 0.354101
+C	-2.7614602748	-1.2260421563	 0.4730239442	-0.336242
+C	-3.4977965172	-0.2534808193	-0.420205648	-0.317921
+H	 1.4734198822	 1.3267409895	 0.7958131002	 0.284007
+H	 0.1128317664	-0.7860416689	-0.4727494012	 0.112031
+H	 0.1294800195	-0.5356117515	 1.2755912666	 0.088469
+H	-1.0119796684	 1.4571349245	-0.7623533893	 0.09216
+H	-0.5824275074	 2.2629354673	 2.0833404347	 0.097957
+H	-3.1194029108	 0.990121261	 2.6297676704	 0.102696
+H	-2.0570570936	-1.9113865999	 0.0137273868	 0.118488
+H	-3.2901575466	-1.6432020715	 1.3244717325	 0.115752
+H	-3.2761968208	-0.2758710674	-1.4822736026	 0.119027
+H	-4.529442192	-0.0129451253	-0.1858333444	 0.118941
+19
+0 5551	2.2694609	1.3372533	0.9674321	0.7522	75.88	-0.25664	-0.03295	0.22368999999999997	1262.3464	0.154977	-422.52601	-422.516929	-422.515985	-422.560516	32.556
+C	 1.3289389206	 1.0871138922	 0.6402592761	-0.384584
+C	 0.8027988546	-0.28525319	 0.2076119598	-0.200043
+C	 1.565661196	-0.8622386723	-0.9786414283	-0.016877
+C	 1.335732038	-0.2183844801	-2.3596885049	 0.022682
+O	-0.041541109	-0.4340003593	-2.7169462822	-0.242369
+C	 0.8884015384	-1.4879322284	-2.942873285	 0.018957
+C	 1.077209679	-2.2248318913	-1.5854574572	-0.163311
+C	 2.109885614	-3.3215625405	-1.6468865586	 0.129992
+O	 3.2766060327	-3.1944678876	-1.3714204885	-0.237065
+H	 0.7624246808	 1.4773661294	 1.4910107704	 0.116144
+H	 2.3824450404	 1.0337883448	 0.9361669491	 0.117512
+H	 1.2483450286	 1.8175045966	-0.172262204	 0.119098
+H	 0.8680515554	-0.9878313885	 1.047971038	 0.098353
+H	-0.2574809762	-0.2119845015	-0.0596511534	 0.111863
+H	 2.6366754695	-0.9436510923	-0.7690921048	 0.107151
+H	 1.8327556536	 0.6276655087	-2.8191272286	 0.108359
+H	 0.9669489238	-1.889205766	-3.9467706532	 0.114369
+H	 0.1348545462	-2.6301243311	-1.201038183	 0.097475
+H	 1.7164195338	-4.2996262529	-2.0068771218	 0.082295
+19
+0 5552	2.2449391	1.5286879	1.0110962	2.5642	76.43	-0.24093	-0.02246	0.21847	1196.1993	0.155391	-422.517631	-422.508617	-422.507673	-422.551982	32.491
+C	 1.5049431792	 0.1311987633	-0.1304611369	-0.256996
+O	 0.1281382435	-0.0861443981	 0.1260518067	-0.24824
+C	-0.3680867478	 0.6564605184	 1.2069311009	 0.135864
+C	-1.8857948601	 0.545469256	 1.3161390164	-0.074753
+C	-2.3483495372	 1.2832184505	 2.5403398041	-0.301281
+C	-1.7688361675	-0.0921887135	 2.7003971992	-0.051933
+C	-0.2321959029	-0.0423961785	 2.6341546704	-0.15023
+C	 0.391500439	-1.4107562376	 2.5193667486	 0.172954
+O	 1.44695384	-1.7184797351	 3.0150898632	-0.269365
+H	 2.1377135181	-0.200389294	 0.703327588	 0.13117
+H	 1.7582493283	-0.4498346735	-1.0197493245	 0.132579
+H	 1.7074199174	 1.1946537301	-0.3262837842	 0.110228
+H	 0.0284505604	 1.6836907447	 1.1763668086	 0.071634
+H	-2.5362833023	 0.303917457	 0.4854575158	 0.100422
+H	-1.807145512	 2.156760189	 2.8976837441	 0.111612
+H	-3.4246170706	 1.3484333548	 2.6616258633	 0.120906
+H	-2.3395579679	-0.9074192381	 3.1294529776	 0.094666
+H	 0.2863906875	 0.5237142668	 3.4130737764	 0.084016
+H	-0.2024113751	-2.143778352	 1.9319952224	 0.086746
+19
+0 5553	1.7968876	1.7592891	0.9660858	1.4128	76.06	-0.24942	-0.02505	0.22437	1217.0945	0.155579	-422.528689	-422.519649	-422.518705	-422.563018	32.834
+O	-0.2399081199	 0.0514455136	-1.0295960917	-0.428589
+C	 0.2020606447	-0.4897438766	 0.2122626122	-0.104512
+C	-0.3972594439	 0.4026608626	 1.2886682526	-0.006018
+C	 0.1875381147	 1.8258649164	 1.2910830451	-0.011436
+C	-0.3672959426	 2.6408161427	 2.423656318	-0.301912
+C	 0.7177825943	 1.6420174237	 2.7122708229	-0.06302
+C	 0.1187909831	 0.2209452027	 2.7585903732	-0.126692
+C	 1.10041959	-0.8682049614	 3.105259039	 0.136841
+O	 1.2752096847	-1.9027442018	 2.5127974778	-0.246012
+H	 0.1255680864	-0.4901215062	-1.7348753078	 0.286822
+H	-0.1294641238	-1.5267688628	 0.3446514387	 0.10601
+H	 1.2993114351	-0.4861451093	 0.2769473854	 0.088607
+H	-1.4879826314	 0.3680024181	 1.1900567685	 0.080248
+H	 0.6663158956	 2.2797364119	 0.4331349513	 0.098348
+H	-0.0586092484	 3.6812397524	 2.4437651416	 0.115281
+H	-1.3798485513	 2.4697305705	 2.7842161138	 0.106182
+H	 1.6735461274	 1.9255659091	 3.1381170148	 0.08835
+H	-0.6789325681	 0.1245205877	 3.5130509237	 0.101373
+H	 1.6740122833	-0.6461269833	 4.0373217308	 0.080129
+19
+0 5554	3.0962318	1.3312874	1.0795154	3.3618	73.67	-0.25867	0.05951	0.31818	1164.5751	0.156923	-422.520873	-422.512865	-422.511921	-422.553561	30.621
+C	 3.9838374558	-0.1418915786	-1.6949607531	-0.389478
+C	 2.7985914678	-1.0361086579	-1.3175610946	-0.191498
+C	 1.5674594089	-0.2593857473	-0.8185539148	-0.057881
+C	 0.5031397566	-1.2110057344	-0.2596816688	 0.024305
+O	-0.658729536	-0.5922096187	 0.2910119182	-0.240439
+C	-0.7422571703	-1.0971673173	-1.0413294231	 0.00335
+C	-0.5220442473	-0.0397210084	-2.1094842445	 0.004113
+O	-0.2743923667	 1.2648958362	-1.5857344517	-0.239687
+C	 0.852819847	 0.4740486921	-1.960710433	 0.036408
+H	 4.3125418869	 0.4551412503	-0.8375731432	 0.122591
+H	 4.8348111435	-0.7420189385	-2.030764605	 0.117179
+H	 3.7331332144	 0.5531634518	-2.5027088664	 0.122111
+H	 2.5120676991	-1.6585012253	-2.1758425317	 0.100365
+H	 3.1121076584	-1.7332946288	-0.5307823664	 0.102191
+H	 1.8736984621	 0.4544747529	-0.0440529251	 0.101899
+H	 0.8183652319	-2.1279923613	 0.2365103126	 0.093383
+H	-1.4394066654	-1.913464434	-1.2067968144	 0.097933
+H	-1.0589655466	-0.087890568	-3.0525006507	 0.097123
+H	 1.43182778	 0.8669297952	-2.7940040142	 0.096033
+19
+0 5555	3.09	1.3900494	1.1223354	1.0505	74.55	-0.24543	0.07628	0.32171	1131.7668	0.157326	-422.514731	-422.506757	-422.505813	-422.547321	30.556
+C	 1.4125489631	-0.0095859086	-0.1384331662	-0.23854
+O	 0.0495581624	-0.1576290082	 0.1932968284	-0.245476
+C	-0.3681949445	 0.6460974688	 1.2851159045	 0.082388
+C	-1.8935351428	 0.7518085328	 1.2206694818	-0.06351
+C	-2.638338324	 1.5526066823	 2.2539386054	-0.302101
+C	-2.4929947032	 0.0600758279	 2.4325720357	-0.061662
+C	-1.3288662664	-0.3991996787	 3.2808789957	 0.038833
+O	-0.4920449469	 0.6621961223	 3.7774330474	-0.259158
+C	-0.0635645077	-0.0558962171	 2.6154853795	 0.003432
+H	 2.0832425822	-0.3130118496	 0.6791007453	 0.107193
+H	 1.6049062266	-0.6518813951	-1.0012221163	 0.129283
+H	 1.6513958111	 1.0309162872	-0.4075153015	 0.109224
+H	 0.1201319382	 1.6319315711	 1.2360641684	 0.077129
+H	-2.3213995129	 0.6400610249	 0.2315583275	 0.09711
+H	-2.0803340161	 2.1898929785	 2.9287197894	 0.135288
+H	-3.6159457334	 1.9255138111	 1.9681241593	 0.10935
+H	-3.3584105696	-0.5870800044	 2.3605958681	 0.086703
+H	-1.4391296679	-1.2483721507	 3.9489903551	 0.097443
+H	 0.8591102618	-0.6220866943	 2.7232233925	 0.097071
+19
+0 5556	3.0584325	1.3271392	1.0748534	2.1673	73.57	-0.2573	0.06086	0.31816	1147.3769	0.15794	-422.528997	-422.521003	-422.520059	-422.561577	30.926
+O	 1.4994342785	 0.6578238193	 0.126703938	-0.422585
+C	 0.4627813297	-0.1737012662	 0.6217371375	-0.085737
+C	-0.4025369373	 0.504896998	 1.6962111664	-0.051631
+C	-1.5772786767	-0.4034876228	 2.0897132845	-0.049944
+C	-2.5891970804	 0.0517173312	 3.1075406271	-0.305006
+C	-1.4295985628	-0.8085212139	 3.5489989322	-0.060025
+C	-0.2174034506	-0.0749329399	 4.0741848639	 0.02488
+O	-0.3287754938	 1.3571515375	 4.0477948229	-0.259651
+C	 0.3869895431	 0.7144803203	 2.9870437593	 0.033926
+H	 2.1938424653	 0.7091469263	 0.7895157499	 0.286178
+H	-0.1661115598	-0.4113492468	-0.242517282	 0.114044
+H	 0.8577885054	-1.1277979821	 1.0056467147	 0.091313
+H	-0.73851894	 1.4677290199	 1.2942433993	 0.097988
+H	-1.9064577605	-1.1280678486	 1.3508779037	 0.082857
+H	-2.5866583255	 1.0879545169	 3.4216834341	 0.137396
+H	-3.5660839126	-0.4182380345	 3.0686791636	 0.108011
+H	-1.6007774954	-1.8218947986	 3.891345287	 0.085042
+H	 0.3487047336	-0.4789888135	 4.9087333131	 0.09519
+H	 1.4459955398	 0.9671905075	 2.944978725	 0.077754
+19
+0 5557	2.0909564	1.5776999	1.0128433	2.1537	76.51	-0.23788	0.00299	0.24087	1199.5102	0.15635	-422.548439	-422.539619	-422.538675	-422.581917	32.893
+C	 1.3748667931	 0.7530352598	 0.3601292178	-0.495013
+C	-0.0180292382	 0.211981256	 0.2711095474	 0.303664
+C	-1.1428222107	 0.9158869652	 0.0857144956	-0.201288
+C	-2.3433144947	 0.0412361247	 0.1976893148	 0.006327
+O	-2.470396662	-0.5821365096	 1.5010567787	-0.270053
+C	-1.8485813179	-1.322043953	 0.4516693807	 0.043151
+C	-0.3226168312	-1.2750079084	 0.4461487832	-0.1618
+C	 0.2569565191	-2.1484164783	-0.6796716435	-0.07462
+O	-0.1010148175	-3.5148188496	-0.5477652999	-0.414291
+H	 1.8178708514	 0.5393937757	 1.3413111591	 0.131441
+H	 2.0383552559	 0.2999666613	-0.3866195183	 0.128816
+H	 1.3905394606	 1.8361766129	 0.2129599577	 0.128342
+H	-1.1923346401	 1.9880780748	-0.064437232	 0.096581
+H	-3.2841349691	 0.2668206357	-0.2943296057	 0.09554
+H	-2.358010634	-2.2270215938	 0.1351772213	 0.107126
+H	 0.0792727496	-1.6364562969	 1.4047948023	 0.082957
+H	-0.153632789	-1.825985842	-1.6425688943	 0.117105
+H	 1.3488063741	-2.0238424591	-0.7312596879	 0.091937
+H	 0.2813181506	-3.8441101354	 0.272262533	 0.284078
+19
+0 5558	2.1641056	1.7719697	1.0823238	2.2452	77.27	-0.23911	-0.00077	0.23834	1148.1931	0.155662	-422.530399	-422.521495	-422.520551	-422.564159	32.56
+C	 1.3644142397	-0.1554078148	 0.08077188	-0.232595
+O	-0.0367512868	 0.0010390885	 0.0946869558	-0.241844
+C	-0.5066964755	 0.8623031286	 1.1094141798	 0.036675
+C	-0.1465597598	 2.3468216549	 0.9539224387	-0.007985
+O	-0.6133057587	 2.9496249602	-0.2532319661	-0.251068
+C	-1.4045189183	 3.1028823	 0.9493785356	 0.004382
+C	-2.5153614373	 2.1084185796	 1.0487930179	-0.202837
+C	-2.034055819	 0.8624572158	 1.0931317916	 0.283433
+C	-2.784745314	-0.4271144036	 1.0733678185	-0.48831
+H	 1.742555836	-0.5129847968	 1.0521712757	 0.100556
+H	 1.5971378718	-0.8999319982	-0.6841216514	 0.129941
+H	 1.8829483683	 0.7806978282	-0.1707952743	 0.116724
+H	-0.1326879344	 0.5112789471	 2.0908261913	 0.064522
+H	 0.7856031756	 2.7404725378	 1.3499411536	 0.095854
+H	-1.4930772208	 4.1203122726	 1.3176187627	 0.097122
+H	-3.5647171754	 2.3779937422	 1.0307673229	 0.098944
+H	-2.5572683361	-1.0314941767	 1.9609751907	 0.123068
+H	-3.8647192786	-0.2642782085	 1.0338976487	 0.122248
+H	-2.4852976165	-1.0234999867	 0.2048240782	 0.15117
+19
+0 5559	2.3322214	1.5104383	1.0261823	4.0892	74.88	-0.26703	0.01048	0.27751	1197.1066	0.157407	-422.589327	-422.580936	-422.579992	-422.622643	31.448
+C	 1.0218448423	-0.4261615458	 1.0327487512	-0.391955
+C	 1.0438416585	 0.1894927449	-0.3681226683	-0.189392
+C	 1.7663310768	-0.6861704329	-1.4081875734	-0.153933
+C	 3.2781014253	-0.7186053152	-1.2781798719	-0.067491
+C	 4.0504353198	-1.5811636218	-2.2602267751	-0.332858
+C	 3.8079293935	-0.1327638446	-2.5580634968	 0.098004
+O	 2.7278664494	 0.1610836034	-3.4224715756	-0.218009
+C	 1.53314736	-0.1348935333	-2.8258825571	 0.420782
+O	 0.4872193561	 0.032802326	-3.3800698742	-0.339026
+H	 0.514215057	-1.3968887843	 1.0276473285	 0.121136
+H	 2.0314954706	-0.5826953443	 1.4272069831	 0.116975
+H	 0.491578649	 0.224388159	 1.7346066483	 0.121087
+H	 0.0205957498	 0.3478571769	-0.7238072324	 0.128188
+H	 1.519968834	 1.1777085051	-0.3371784666	 0.103407
+H	 1.3251014329	-1.6902172178	-1.3818393328	 0.111282
+H	 3.7323491891	-0.4785781806	-0.3247041169	 0.10258
+H	 5.0565477832	-1.8738446872	-1.9805990147	 0.124376
+H	 3.5096519988	-2.31439464	-2.8509886354	 0.129092
+H	 4.6053099041	 0.5952964827	-2.6302307901	 0.115753
+19
+0 5560	2.2938985	1.4814791	1.019726	2.7237	74.85	-0.24586	-0.02151	0.22435	1206.2895	0.156371	-422.574029	-422.565379	-422.564435	-422.60797	31.909
+C	 1.8994564742	 1.8168135715	-1.1339757792	-0.392583
+C	 1.6036617236	 0.4718807983	-0.4635977099	-0.191622
+C	 2.0633641736	-0.7435233625	-1.2914755017	-0.125089
+C	 3.5613345091	-0.9651371181	-1.3268944353	 0.035158
+O	 3.9434735857	-2.0863083474	-2.1339301237	-0.263059
+C	 3.9128836609	-2.2604041065	-0.7125868005	 0.035813
+C	 2.6672693646	-2.9655164235	-0.2366614125	-0.353993
+C	 1.5106353953	-2.0582908041	-0.6944006863	 0.383156
+O	 0.341937607	-2.3103424606	-0.5677290561	-0.310472
+H	 1.5366665361	 2.6455654953	-0.5184604206	 0.119987
+H	 2.9719361627	 1.9702211833	-1.2929363937	 0.118633
+H	 1.4074517965	 1.8843947136	-2.1101606121	 0.123602
+H	 2.0740499809	 0.4378332272	 0.5279956567	 0.096782
+H	 0.5264270561	 0.366992441	-0.2985760235	 0.127208
+H	 1.6667786689	-0.6493933804	-2.3099351189	 0.11467
+H	 4.2505551816	-0.1250429983	-1.3421613802	 0.101411
+H	 4.8752890403	-2.4428526096	-0.2421233052	 0.10166
+H	 2.5515272624	-3.9689715418	-0.6566184739	 0.145934
+H	 2.6368624605	-3.0613558473	 0.8555985367	 0.132804
+19
+0 5561	2.2937256	1.6315992	1.2477338	3.2965	74.38	-0.23192	-0.03172	0.2002	1080.0197	0.156608	-422.554949	-422.546349	-422.545405	-422.588555	31.908
+C	 1.4999337734	-0.0224906581	 0.00268106	-0.252677
+O	 0.0865824045	 0.0343385048	 0.0423920846	-0.242718
+C	-0.4807898442	 0.6402693899	 1.1884569873	 0.029399
+C	-0.1571848469	 2.1136814556	 1.358623195	-0.068915
+C	-0.8137168171	 2.8104490935	 2.5247199024	-0.304253
+C	 0.6075624128	 2.3350892471	 2.6579385402	-0.036848
+C	 0.8087753462	 0.9981623267	 3.3425275033	-0.333916
+C	 0.0053401116	-0.0204914069	 2.5200999241	 0.348018
+O	-0.1951284817	-1.1658749671	 2.822210087	-0.301413
+H	 1.9100394237	-0.6623672287	 0.7970624968	 0.1184
+H	 1.764324965	-0.4598417201	-0.9625858371	 0.134215
+H	 1.9609397659	 0.9723241945	 0.0756740429	 0.109155
+H	-1.5557703889	 0.4580559506	 1.0867256476	 0.109983
+H	 0.059040171	 2.6863199466	 0.464448554	 0.098647
+H	-0.9865499357	 3.8766537992	 2.431755623	 0.120205
+H	-1.5908469499	 2.2852898193	 3.0756342786	 0.115676
+H	 1.3984079742	 3.0738145223	 2.7133384555	 0.09136
+H	 1.8607813157	 0.6858617047	 3.3158347011	 0.13286
+H	 0.4961722103	 0.9674063461	 4.3913046136	 0.132824
+19
+0 5562	2.2000795	1.514195	1.0404975	1.858	74.94	-0.24049	-0.02202	0.21847	1178.9565	0.15729	-422.575687	-422.567147	-422.566203	-422.609235	32.095
+O	-0.7382573052	-0.5636681207	-0.8607271201	-0.415585
+C	-0.1981558182	 0.5718893287	-0.2083595948	-0.077767
+C	-0.5089057641	 0.5925323346	 1.3026162696	-0.137556
+C	-1.9950392261	 0.6327545596	 1.5963072171	-0.026536
+C	-2.4158092664	 0.7355092288	 3.040122262	-0.310856
+C	-2.3499921672	 1.9857081364	 2.1995964874	-0.035821
+C	-1.0911675843	 2.8215729027	 2.3077916559	-0.332647
+C	 0.0621739135	 1.8810201845	 1.9256482803	 0.369788
+O	 1.2350646603	 2.1177491705	 2.0591120011	-0.317194
+H	-0.2868288527	-1.3433850268	-0.5208541671	 0.284692
+H	 0.8884470699	 0.6507492119	-0.3495943827	 0.111771
+H	-0.6613611378	 1.4366883474	-0.6962204346	 0.113886
+H	 0.0000635107	-0.2642689482	 1.7639731294	 0.090468
+H	-2.6565182259	 0.1438908891	 0.8916796061	 0.102059
+H	-3.3976504764	 0.3587913099	 3.3046482805	 0.116529
+H	-1.6658563651	 0.5901699307	 3.8142031364	 0.111931
+H	-3.2789292921	 2.4768176034	 1.9353911299	 0.089976
+H	-1.0958291706	 3.6555735119	 1.5938017614	 0.131694
+H	-0.9060624223	 3.2547182057	 3.2961103124	 0.131165
+19
+0 5563	3.6709993	1.058011	0.9168036	1.1863	76.82	-0.24322	0.07877	0.32199	1312.5139	0.15553	-422.482905	-422.474332	-422.473388	-422.516263	32.02
+C	 1.4881525986	-0.0061673147	-0.0318528453	-0.238997
+O	 0.0824937287	 0.1544287809	 0.0029734673	-0.251831
+C	-0.370107895	 0.7139816538	 1.1918291069	 0.117797
+C	-1.7868224376	 0.3931138969	 1.5191619787	-0.092631
+C	-2.2318202065	 1.187423797	 2.7567629156	-0.349006
+C	-1.0978794358	 0.4922916647	 3.5425748698	 0.461002
+C	-1.0813172055	 0.0821109246	 4.9446147831	-0.270673
+O	-0.2327375955	 1.1368773127	 4.4671330014	-0.274753
+C	-0.6390200928	-0.2614098613	 2.3234231076	-0.193615
+H	 1.8408062721	-0.6789891	 0.7623761629	 0.111037
+H	 1.7372051546	-0.4355758983	-1.0047664534	 0.128095
+H	 2.0063239712	 0.9581201348	 0.0762056048	 0.111553
+H	 0.0414237396	 1.7031190325	 1.4126240983	 0.091196
+H	-2.4344008041	-0.0736167488	 0.7894091448	 0.102927
+H	-2.1615984186	 2.2771880143	 2.6821851171	 0.112196
+H	-3.22593248	 0.9147550445	 3.119066233	 0.114285
+H	-1.8876884663	 0.392537017	 5.6089849713	 0.113119
+H	-0.5670618341	-0.8328660502	 5.2382999987	 0.11386
+H	-0.2607114929	-1.2753892104	 2.2814453775	 0.094438
+19
+0 5564	5.0246039	0.9364504	0.894174	0.7049	77.23	-0.21755	0.07216	0.28971	1366.2156	0.154887	-422.468935	-422.460261	-422.459316	-422.502322	32.49
+C	 1.4722514007	 0.0276856634	 0.0008273135	-0.235605
+O	 0.059557289	 0.0470269881	 0.1032336315	-0.246678
+C	-0.390424424	 0.6915678059	 1.2485937981	 0.074728
+C	-0.5459073266	-0.1554856297	 2.4848799819	 0.043295
+O	-0.9344346061	 0.6504059358	 3.6024504969	-0.315266
+C	-2.1576023659	 0.9967330051	 2.9175561035	 0.47268
+C	-2.8327419697	 2.3093898247	 3.1230664043	-0.335504
+C	-3.4614926794	 1.0173805488	 3.637932063	-0.345121
+C	-1.7664295147	 0.2369116619	 1.677546431	-0.272029
+H	 1.9350834056	-0.4917788051	 0.8512992343	 0.111778
+H	 1.7186784827	-0.5011800592	-0.9224684021	 0.129476
+H	 1.8844863349	 1.046100426	-0.0495669774	 0.11192
+H	-0.0930958505	 1.7380899806	 1.3559866899	 0.092294
+H	-0.0622765531	-1.1079050912	 2.6649540099	 0.110724
+H	-2.3980805813	 2.9755282124	 3.8602933997	 0.126936
+H	-3.2805647721	 2.8049257025	 2.2681154182	 0.119555
+H	-3.4339083529	 0.840287181	 4.707564751	 0.127263
+H	-4.3387171541	 0.628120043	 3.1313050148	 0.117283
+H	-2.4087373325	-0.3481638538	 1.0339876182	 0.112272
+19
+0 5565	3.5139446	1.0219474	0.8808137	2.8508	76.31	-0.26331	0.07822	0.34153	1339.9302	0.156379	-422.500108	-422.491602	-422.490657	-422.533409	32.175
+O	 1.3948887518	 0.794453827	 0.0346969027	-0.41863
+C	 0.3077102741	-0.0463348122	 0.3846212289	-0.090705
+C	-0.8693616203	 0.7230560876	 0.938889849	-0.040801
+C	-1.8332700296	 0.0004379502	 1.8311435575	-0.067364
+C	-3.0252661612	 0.9121873902	 2.1706521074	-0.348216
+C	-2.014135997	 1.8998160197	 2.7917512494	 0.462149
+C	-2.1857623527	 2.7634832318	 3.9572702116	-0.273455
+O	-2.0427017899	 3.3096019788	 2.6369222985	-0.272496
+C	-0.8463382902	 1.0189555347	 2.4259661828	-0.165614
+H	 1.5918560688	 1.3448108479	 0.8000807248	 0.283161
+H	 0.023747676	-0.5588761274	-0.5407490592	 0.114467
+H	 0.6130032993	-0.823450117	 1.1060718866	 0.081261
+H	-1.2520365642	 1.4900449167	 0.267288304	 0.100604
+H	-1.8190598802	-1.0756210904	 1.9481388592	 0.093799
+H	-3.6005997083	 1.2864538839	 1.3186304129	 0.113614
+H	-3.7096393597	 0.4897470962	 2.9105042814	 0.11237
+H	-3.1716978542	 2.8762072291	 4.4076904016	 0.114832
+H	-1.3473861914	 2.9454927233	 4.6295516444	 0.113681
+H	 0.0359415287	 0.8438639401	 3.0321573464	 0.087344
+19
+0 5566	4.9993224	0.8938653	0.8562265	2.9019	77.17	-0.22294	0.0681	0.29103999999999997	1395.7733	0.155462	-422.4856	-422.476909	-422.475965	-422.519072	32.766
+O	 1.7591488092	 0.6348467835	-0.0254202661	-0.418061
+C	 0.3701732976	 0.3770891977	-0.1794165149	-0.117765
+C	 0.0224122022	 0.5193846421	-1.6373866298	-0.035254
+C	-0.2498951046	 1.9019472751	-2.1471978666	 0.097549
+O	-0.3941658639	 1.9110820059	-3.5725014825	-0.31813
+C	-1.5496924456	 1.0599027157	-3.451907733	 0.468986
+C	-1.9202551781	 0.0711009038	-4.5038119451	-0.333598
+C	-2.7771513285	 1.3104336109	-4.2585876049	-0.347444
+C	-1.4038021064	 0.945643531	-1.9559345509	-0.249395
+H	 2.0005086954	 0.4377725371	 0.8846774001	 0.286175
+H	 0.1134207602	-0.6373747534	 0.1641875307	 0.092328
+H	-0.2349770783	 1.0823012793	 0.4155745775	 0.080981
+H	 0.5252605676	-0.1758056834	-2.3055843719	 0.099074
+H	 0.0395054749	 2.8233715436	-1.6567790975	 0.110246
+H	-1.3139579564	 0.0595285134	-5.4029316953	 0.127332
+H	-2.302330098	-0.8974445211	-4.1986881963	 0.116306
+H	-2.7287902905	 2.1054011043	-4.9946588561	 0.127155
+H	-3.7442118899	 1.1866480153	-3.781522086	 0.114399
+H	-2.2110637468	 0.9367746493	-1.2352214515	 0.099117
+19
+0 5567	2.5242455	1.584151	1.1808025	2.2344	73.89	-0.22866	0.05724	0.2859	1087.9056	0.156017	-422.489363	-422.480779	-422.479834	-422.522613	32.367
+C	-0.4085780621	-1.3789689833	 3.6715297362	-0.509677
+C	-1.254129669	-1.2948245589	 2.4355470499	 0.268542
+C	-2.4438179106	-0.324242436	 2.2785717123	 0.04743
+O	-2.6643806555	-0.0900282933	 0.8878237253	-0.293631
+C	-2.4024504768	-1.5147034622	 0.7029328834	 0.033738
+C	-2.6848728548	-1.7944507526	 2.223539767	-0.196047
+C	-0.8814317743	-1.6560972516	 0.9849725755	-0.051235
+C	 0.0988510843	-0.8035679545	 0.1909018309	-0.106074
+O	 1.4380102919	-0.944098599	 0.657912592	-0.422017
+H	 0.0632474838	-2.3630825949	 3.7670304052	 0.129927
+H	 0.3888169927	-0.6257263094	 3.6730402568	 0.112575
+H	-1.0092072739	-1.2106510735	 4.572512809	 0.121854
+H	-2.7195448689	 0.4404112846	 2.9934865828	 0.10699
+H	-2.8930608179	-1.9350426064	-0.1724651138	 0.085868
+H	-3.3193140248	-2.479220415	 2.7691945897	 0.099592
+H	-0.590680458	-2.7116489278	 0.9406271354	 0.079609
+H	 0.1135725269	-1.1347083899	-0.8542573594	 0.104114
+H	-0.2274056194	 0.2438189314	 0.1993099036	 0.105521
+H	 1.5021522762	-0.4905057379	 1.5033069282	 0.282922
+19
+0 5568	2.6776714	1.461938	1.1396927	0.7932	73.86	-0.21916	0.06794	0.2871	1131.8886	0.155868	-422.489157	-422.480715	-422.479771	-422.522145	32.375
+C	 1.4409260967	 1.4029532474	 0.4016942547	-0.381139
+C	 1.0063987454	-0.0498132668	 0.179029085	-0.21425
+C	 1.6030053742	-0.6667056915	-1.0790545783	-0.043514
+C	 1.0275205094	-0.2758521098	-2.4765133257	 0.047162
+O	-0.4035763087	-0.5488154261	-2.3686903669	-0.290065
+C	-0.0432680529	-1.9297210601	-2.3676677551	 0.008331
+C	 1.3043476159	-1.7364397124	-2.9869216199	-0.195808
+C	 1.2350590839	-2.0922112448	-1.5127748774	 0.308935
+O	 1.6290934237	-3.2887453149	-0.9547712023	-0.457435
+H	 1.000633562	 1.814291739	 1.3150941352	 0.112891
+H	 2.5301568322	 1.4838998697	 0.4909997344	 0.112135
+H	 1.1282575862	 2.0416354338	-0.4314911026	 0.118689
+H	 1.3029640529	-0.6571529229	 1.0446685959	 0.089108
+H	-0.0850990463	-0.1062442968	 0.1092193147	 0.11216
+H	 2.6942179613	-0.5609723937	-1.1051491655	 0.076908
+H	 1.2564896535	 0.6637753348	-2.9735823114	 0.087197
+H	-0.8048034285	-2.6884171628	-2.4945974385	 0.110376
+H	 1.8177189451	-2.1654322844	-3.8352752842	 0.106929
+H	 1.0187714541	-3.5103471678	-0.2427348419	 0.29139
+19
+0 5569	2.9038713	1.5486283	1.1822275	1.8916	75.39	-0.22707	0.07148	0.29855	1084.1503	0.156337	-422.488044	-422.479726	-422.478782	-422.520614	32.012
+C	 1.4660533941	-0.0371241517	-0.0008426527	-0.243319
+O	 0.0574759847	-0.0396046849	 0.1271204995	-0.255677
+C	-0.4111735118	 0.6921211247	 1.2323158997	 0.069804
+C	-1.9440058429	 0.489533258	 1.3617677152	-0.098446
+C	-2.3523200742	 1.3629236818	 2.5782705201	-0.247114
+C	-1.5424136879	 0.3710881445	 3.4108958772	-0.137953
+C	-1.6616690267	-0.7121445767	 2.3533126628	-0.120393
+C	-0.3264789271	-0.0619801441	 2.5657068628	 0.363721
+O	 0.7815844516	-0.6583163084	 3.1377392097	-0.462385
+H	 1.9545975917	-0.535337957	 0.8450400895	 0.125141
+H	 1.7039809885	-0.5744742931	-0.9222841857	 0.122616
+H	 1.8592329134	 0.9892895427	-0.0816968101	 0.095678
+H	-0.0362887967	 1.7296044602	 1.190486951	 0.047299
+H	-2.534093669	 0.4413949357	 0.4502432529	 0.082113
+H	-2.0556786531	 2.4186658315	 2.5655800475	 0.086959
+H	-3.4223431995	 1.2880588361	 2.7928462572	 0.102176
+H	-1.5179880062	 0.2351157899	 4.4857681533	 0.085036
+H	-1.9850147988	-1.7405375941	 2.3987951108	 0.098752
+H	 1.23212653	-0.0042658252	 3.6840727895	 0.285993
+19
+0 5570	2.624472	1.6011444	1.2036259	2.0557	75.21	-0.22583	0.07732	0.30315000000000003	1094.7015	0.155518	-422.479628	-422.471048	-422.470104	-422.512991	31.844
+C	 1.5509196821	-0.1378939538	-0.1092679657	-0.239134
+O	 0.1590874384	-0.3277534541	 0.0160557797	-0.249476
+C	-0.4198047294	 0.4290614363	 1.0351507486	 0.13536
+C	-0.2235231688	 0.0142368139	 2.5300509788	-0.002824
+O	-0.6037291947	-1.3847027137	 2.5555210341	-0.283832
+C	-1.9352380013	-0.9340177966	 2.3116951258	 0.059364
+C	-1.7066289074	 0.4656621243	 2.7758479895	-0.201908
+C	-1.9020608488	 0.2021352323	 1.2748921373	 0.224769
+C	-3.0478816314	 0.5590763671	 0.377983441	-0.516316
+H	 2.0938744122	-0.4747914008	 0.7856987272	 0.11208
+H	 1.8846735894	-0.7306388177	-0.9639511353	 0.128752
+H	 1.802555292	 0.9194450949	-0.2905006458	 0.100221
+H	-0.2009873213	 1.503090587	 0.9159667006	 0.061721
+H	 0.6644280592	 0.2425351612	 3.1151184921	 0.084026
+H	-2.7604182462	-1.6229286623	 2.4364755973	 0.109
+H	-2.1961871126	 1.1291674569	 3.4744476419	 0.100274
+H	-4.0092933862	 0.3492364982	 0.8592463807	 0.119105
+H	-3.0347427163	 1.6226088855	 0.1140539608	 0.120424
+H	-3.0063762691	-0.0190411286	-0.5510380586	 0.138393
+19
+0 5571	3.0091672	1.4904557	1.1633652	2.4286	74.35	-0.24447	0.06417	0.30864	1080.0713	0.157679	-422.506142	-422.498204	-422.49726	-422.538166	31.686
+O	 1.3616114733	 0.8476050253	 0.1670733272	-0.434846
+C	 0.3120856141	-0.0517954938	 0.486728893	-0.080888
+C	-0.9544158821	 0.6849651331	 0.9084829009	-0.084265
+C	-1.9867534463	-0.1906052775	 1.6866294637	-0.082234
+C	-3.1453974153	 0.7907824402	 2.0280902888	-0.24179
+C	-2.1384587471	 1.4848791325	 2.9417949334	-0.144878
+C	-1.2781558879	 0.2346669929	 3.0383699396	-0.130619
+C	-0.7698644781	 1.4028319425	 2.2451111682	 0.394647
+O	 0.2981982613	 2.2189370632	 2.5957750432	-0.473557
+H	 1.5008220064	 1.3878137411	 0.9551524118	 0.285856
+H	 0.1269879111	-0.645107265	-0.415512706	 0.099996
+H	 0.6119513137	-0.7519766101	 1.2845225864	 0.083519
+H	-1.3476389313	 1.2715178751	 0.0681291678	 0.062283
+H	-2.184972731	-1.2119527087	 1.367700295	 0.076282
+H	-3.5899325507	 1.3533787055	 1.1986563325	 0.089887
+H	-3.9351870968	 0.3014442463	 2.6050905039	 0.101727
+H	-2.307932864	 2.2188262294	 3.7202569658	 0.087515
+H	-0.8810746137	-0.30362352	 3.8855507381	 0.099168
+H	 0.0903122647	 3.1226481777	 2.3308361265	 0.292196
+19
+0 5572	3.4487782	1.3858279	1.2323656	0.3819	73.43	-0.24135	0.06182	0.30317	1078.6341	0.158009	-422.507812	-422.500399	-422.499454	-422.539859	29.226
+C	-0.4028217396	-1.7281600555	-0.5499961714	-0.382115
+C	 1.1022553742	-1.9467208114	-0.7390169464	-0.211015
+C	 1.8733727896	-0.6508674999	-0.9814618835	 0.047507
+C	 1.6690040244	 0.0134246612	-2.3640957657	 0.010846
+O	 2.0670969715	-1.0512845475	-3.281513915	-0.288084
+C	 3.3928767384	-0.8021409769	-2.8198753825	 0.057729
+C	 3.1228298321	 0.6716325538	-2.51907568	 0.055771
+O	 3.7903284428	 0.6407784668	-1.2603358406	-0.291281
+C	 3.3968879677	-0.7653084956	-1.2167162791	-0.005232
+H	-0.6051433501	-1.0445517932	 0.2822662337	 0.113309
+H	-0.8608230941	-1.3021820422	-1.4487738706	 0.119828
+H	-0.912938987	-2.6723541056	-0.3366612855	 0.114135
+H	 1.5138440922	-2.4313240018	 0.1556833425	 0.092947
+H	 1.2750918513	-2.6297984879	-1.5760110746	 0.117246
+H	 1.7097155225	 0.0636739423	-0.1681221079	 0.08383
+H	 0.7313721376	 0.4959214461	-2.6311193843	 0.086029
+H	 4.2019820848	-1.2525213627	-3.3910722045	 0.097935
+H	 3.2977398928	 1.543955912	-3.1456199273	 0.096789
+H	 4.0186685189	-1.382557782	-0.5709748873	 0.083825
+19
+0 5573	3.3070427	1.5024837	1.2715863	2.5507	74.6	-0.23199	0.08021	0.31220000000000003	1046.1294	0.158182	-422.499386	-422.491993	-422.491049	-422.531315	28.965
+C	 1.4351492628	-0.3826716891	-0.0362512152	-0.24094
+O	 0.1036391554	 0.0753799004	 0.0127875877	-0.251447
+C	-0.1846424117	 0.8472009481	 1.1439764573	 0.197019
+C	 0.2560784129	 2.3377994333	 1.1313743049	-0.152022
+C	-0.2020899866	 2.7712876831	 2.5481059879	-0.258059
+C	-1.6198501433	 2.5664173174	 1.9829835509	-0.077347
+C	-1.1199860481	 2.9373657701	 0.5692369584	 0.122878
+O	-1.8724783268	 1.8999534262	-0.061055431	-0.277723
+C	-1.684998681	 1.1945780241	 1.1969203743	 0.019959
+H	 1.691276104	-0.9901544527	 0.8466208064	 0.101814
+H	 1.5286736149	-1.0038467754	-0.9301512219	 0.129407
+H	 2.159022024	 0.4430270836	-0.1045451516	 0.105826
+H	 0.1655229106	 0.3398736502	 2.0564393533	 0.059847
+H	 1.2325123681	 2.5922721397	 0.7250567526	 0.071567
+H	 0.137010191	 2.1713356522	 3.3977955614	 0.097107
+H	-0.0189611821	 3.8297054787	 2.7527999944	 0.104187
+H	-2.5373746434	 2.9477271894	 2.4275152514	 0.08004
+H	-1.1493026558	 3.9123173352	 0.0855087492	 0.08572
+H	-2.4156145248	 0.4080147354	 1.3771723796	 0.082167
+19
+0 5574	3.4316319	1.4010793	1.2425939	1.982	73.47	-0.24594	0.06267	0.30861	1054.1147	0.158972	-422.516753	-422.509359	-422.508415	-422.548881	29.293
+O	 1.5805383756	 0.836142774	 0.2020805813	-0.425805
+C	 0.5356862937	-0.0497038973	 0.587277546	-0.107098
+C	-0.3663668496	 0.5511954513	 1.6616557721	 0.029321
+C	-1.4088886476	-0.4062815539	 2.2878684619	-0.112649
+C	-2.1979820953	 0.5570422198	 3.2123269837	-0.258636
+C	-0.8872277064	 0.6161728427	 4.013486532	-0.06998
+C	-0.5449893071	-0.8239738873	 3.5800924507	 0.112016
+O	 0.8355061379	-0.5180348718	 3.3556236825	-0.296034
+C	 0.3277292866	 0.8115129843	 3.019682391	 0.039688
+H	 2.2579459383	 0.7949311107	 0.8838097837	 0.288237
+H	-0.0543071682	-0.2332951577	-0.3175030992	 0.102931
+H	 0.9339514253	-1.01214065	 0.9292233861	 0.106293
+H	-0.8378699355	 1.4588466815	 1.2706367424	 0.077042
+H	-1.9039018735	-1.1338998704	 1.646374964	 0.068536
+H	-2.6045734669	 1.4685972795	 2.7660405402	 0.099749
+H	-2.9771331824	 0.0511322633	 3.7901663003	 0.101866
+H	-0.7847826414	 0.986706145	 5.0318330992	 0.07878
+H	-0.7484976185	-1.7490448366	 4.1169173182	 0.087019
+H	 1.069437905	 1.6031240829	 3.1180555939	 0.078723
+19
+0 5575	3.1905783	1.5247911	1.3917966	1.6345	74.46	-0.22801	0.0673	0.29530999999999996	1011.7386	0.157823	-422.493044	-422.485433	-422.484489	-422.525348	29.239
+C	 1.408424238	-0.0185063007	-0.0816095089	-0.240957
+O	 0.0047292106	-0.0569594215	 0.0667339626	-0.239899
+C	-0.4676894639	 0.7244306449	 1.1211505747	 0.162126
+C	-1.9975323304	 0.9233697983	 1.1565371241	-0.121595
+C	-2.5481375293	 1.3997516428	-0.2130709583	-0.233061
+C	-1.9570915304	 2.802361325	 0.0548346209	 0.106401
+O	-0.5299443926	 2.8398111151	-0.1856812817	-0.297634
+C	-0.2616139456	 2.2696184054	 1.1085116046	 0.042764
+C	-1.7426504221	 2.431452988	 1.5528816011	-0.10123
+H	 1.9235371351	-0.3568908177	 0.8313787539	 0.099734
+H	 1.6648955888	-0.6946420896	-0.9004114368	 0.127502
+H	 1.7619189204	 0.9911763286	-0.3312857377	 0.123331
+H	-0.1150345411	 0.3435709004	 2.0969760119	 0.059582
+H	-2.5866007437	 0.2137217598	 1.7358384604	 0.070291
+H	-2.2010780535	 0.8795429541	-1.1077665874	 0.119283
+H	-3.6423250238	 1.4338556405	-0.1995609293	 0.097855
+H	-2.4586415894	 3.6896087398	-0.3368109965	 0.076922
+H	 0.6211415898	 2.7061441336	 1.5801725448	 0.073665
+H	-2.113567417	 2.9585661332	 2.4267749576	 0.07492
+19
+0 5576	3.7171094	1.2788582	1.1198852	3.0471	74.34	-0.23236	0.07155	0.30391	1120.2042	0.157974	-422.504825	-422.49716	-422.496216	-422.53698	29.839
+O	 1.4299150282	 0.5709593392	-0.4544996748	-0.422496
+C	 0.0906941033	 0.3113532347	-0.0606818255	-0.099353
+C	-0.7922486886	 0.4342255896	-1.2906884906	-0.005883
+C	-2.3034574089	 0.4593737319	-0.9236406229	-0.070216
+C	-3.2173335297	 0.3982222271	-2.1767259865	-0.25366
+C	-2.8543245458	 1.8690993218	-2.4919948922	 0.106938
+O	-1.5383766348	 1.9868415669	-3.0759889581	-0.310037
+C	-0.9099178966	 1.9016897479	-1.7774163085	 0.116688
+C	-2.2816109866	 2.0340591934	-1.0551370606	-0.102205
+H	 1.9895519737	 0.5264731245	 0.3261171295	 0.287727
+H	-0.0156940369	-0.6985245503	 0.3676408585	 0.08805
+H	-0.2431735488	 1.0267666909	 0.7105760184	 0.083393
+H	-0.4745903715	-0.2850984571	-2.0515930847	 0.081295
+H	-2.6168696552	-0.0842750204	-0.0306872386	 0.063315
+H	-2.9969379681	-0.3457256622	-2.9472325684	 0.102794
+H	-4.2702615491	 0.3212928914	-1.8847747186	 0.099382
+H	-3.5823959927	 2.5120572806	-2.990432092	 0.075879
+H	-0.0409445295	 2.5546779081	-1.688737081	 0.086609
+H	-2.5739341225	 2.7685835119	-0.3097766332	 0.07178
+19
+0 5577	3.9685324	1.2815144	1.2413439	1.9449	74.22	-0.23616	0.0816	0.31776000000000004	1078.5525	0.158493	-422.505382	-422.498005	-422.497061	-422.537382	28.868
+C	 1.5662456762	-0.3818701123	 0.2270156919	-0.24218
+O	 0.1563333017	-0.3544577148	 0.2255319687	-0.24893
+C	-0.3806022344	 0.6775607967	 1.0047322863	 0.166823
+C	-1.9167157554	 0.8245245302	 0.9748585665	-0.156039
+C	-2.1905250255	 1.0009383813	-0.5333160295	-0.206665
+C	-1.4308083797	 2.3392461785	-0.6088726008	 0.068961
+O	-2.2476690207	 3.1746815508	 0.2711159506	-0.293032
+C	-1.6823651884	 2.3775595129	 1.313403632	 0.104861
+C	-0.3613204375	 2.1475730825	 0.5403148643	-0.137894
+H	 1.9686438056	-0.5178766389	 1.2431294655	 0.105678
+H	 1.8761538457	-1.2280257238	-0.3906246412	 0.128815
+H	 1.9962848018	 0.5399276895	-0.1922989999	 0.108244
+H	 0.0015015411	 0.620707069	 2.036930719	 0.065201
+H	-2.5621185841	 0.1759149712	 1.5627931748	 0.071111
+H	-1.7617960574	 0.1958208786	-1.1299324046	 0.118712
+H	-3.2434595412	 1.1470578408	-0.7800319829	 0.104091
+H	-1.2080405138	 2.8001933679	-1.5694439162	 0.081228
+H	-1.8026939042	 2.7576027765	 2.3257412188	 0.086251
+H	 0.4918980703	 2.8212435535	 0.582422397	 0.074767
+19
+0 5578	4.2491891	1.2645235	1.1887574	0.7032	75.01	-0.23003	0.08023	0.31026	1102.7962	0.158031	-422.498542	-422.491084	-422.49014	-422.530574	29.097
+C	 1.4498044103	 0.0173960722	-0.2646501869	-0.237483
+O	 0.0796352631	-0.0871495169	 0.0599464916	-0.256017
+C	-0.2859708302	 0.6811652834	 1.1777935424	 0.138744
+C	 0.0028938999	 0.0365318868	 2.5680565718	 0.026571
+O	-0.5397250964	 1.0307183822	 3.4466042871	-0.271744
+C	-1.9188160682	 0.8885579705	 3.0434040242	 0.071754
+C	-2.2393372378	-0.5538256096	 3.4948919764	-0.245575
+C	-1.2593745905	-0.9053252635	 2.3648062537	-0.059532
+C	-1.7342914061	 0.3655185293	 1.563821246	-0.102898
+H	 2.0988560532	-0.3629773556	 0.5375978669	 0.107606
+H	 1.6144958151	-0.5813690028	-1.1635645262	 0.128025
+H	 1.7364743011	 1.0594388317	-0.4732968583	 0.108781
+H	 0.0279757254	 1.7298113576	 1.0712648965	 0.066472
+H	 0.9823977286	-0.3012420703	 2.9025973765	 0.077027
+H	-2.497566938	 1.7671119709	 3.323087905	 0.080563
+H	-2.0048409179	-0.8100555111	 4.531120848	 0.101268
+H	-3.2568180093	-0.859455697	 3.2359562005	 0.10169
+H	-1.124217923	-1.8903793872	 1.9280681305	 0.08515
+H	-2.5709398294	 0.3843665293	 0.8689518544	 0.079599
+19
+0 5579	3.9515668	1.2080862	1.140158	2.1581	74.	-0.23825	0.072	0.31024999999999997	1121.3826	0.158911	-422.516146	-422.50878	-422.507836	-422.548012	29.251
+O	 1.5218706624	 0.8250508176	 0.0350202312	-0.422916
+C	 0.1491638629	 0.5888855851	 0.3192543166	-0.111333
+C	-0.6482472428	 0.974497616	-0.9135110482	 0.008597
+C	-2.1858215193	 1.097295983	-0.7053667566	-0.112828
+C	-2.6504162064	 1.4445364949	-2.1351867508	-0.216828
+C	-1.9120838555	 2.7993022245	-2.1438962655	 0.056553
+O	-2.6311137639	 3.5080534061	-1.0889246709	-0.29423
+C	-1.9420324856	 2.6123551365	-0.2146602656	 0.102189
+C	-0.71887913	 2.4941441063	-1.1511164493	-0.058528
+H	 2.0383394539	 0.5672019226	 0.8041347991	 0.287112
+H	-0.0319903569	-0.4726332947	 0.5534802491	 0.086334
+H	-0.1804476568	 1.1751372759	 1.1921108121	 0.085898
+H	-0.3281615705	 0.3508656851	-1.7549314411	 0.071985
+H	-2.752335581	 0.3680753554	-0.1275506254	 0.065436
+H	-2.3028442666	 0.7228625934	-2.8789300041	 0.096863
+H	-3.7259252739	 1.5991572197	-2.2403723643	 0.105992
+H	-1.8073467929	 3.3692302602	-3.0657342986	 0.080342
+H	-1.964138117	 2.876879834	 0.8404773066	 0.084641
+H	 0.1377281597	 3.1638518285	-1.1345290341	 0.084719
+19
+0 5580	3.9715345	1.2080001	1.1414478	0.183	74.47	-0.24006	0.07435	0.31440999999999997	1123.9377	0.158816	-422.512533	-422.505164	-422.50422	-422.544423	29.312
+O	 1.2522926627	 0.6985955642	-0.2019190551	-0.4164
+C	 0.2980210704	-0.1732439699	 0.3913510462	-0.091765
+C	-0.8139601563	 0.5797730827	 1.1078169227	-0.030952
+C	-2.1181939063	-0.2093467989	 1.4109120094	 0.053809
+O	-2.8856643381	 0.7667137813	 2.1309130683	-0.27091
+C	-3.0459343432	 1.7011922079	 1.0462728985	 0.063204
+C	-3.9069399716	 0.8932996221	 0.0528387212	-0.243866
+C	-2.6209326265	 0.0645877938	-0.071448673	-0.073649
+C	-1.759279442	 1.3600482145	 0.1798007445	-0.052812
+H	 1.6437024616	 1.2252965003	 0.502599858	 0.281446
+H	-0.0991131691	-0.7712935648	-0.434835719	 0.109507
+H	 0.7819998657	-0.8718356879	 1.0927975248	 0.08797
+H	-0.4144085137	 1.1132220726	 1.9795706886	 0.063854
+H	-2.1472909147	-1.1784306621	 1.907976939	 0.077667
+H	-3.2987428165	 2.6923114579	 1.4189439087	 0.078581
+H	-4.8199619565	 0.4390260585	 0.4457152021	 0.101178
+H	-4.1066775076	 1.4381668171	-0.8739828411	 0.101327
+H	-2.4314058901	-0.6703755842	-0.8497706106	 0.079406
+H	-1.4361654679	 2.0455735048	-0.6003230631	 0.082405
+19
+0 5581	4.2819418	1.0687099	0.9505886	1.9677	75.07	-0.24527	0.09322	0.33848999999999996	1263.4046	0.15726	-422.519208	-422.511151	-422.510207	-422.551916	30.549
+C	 1.4886037937	-0.0773225669	-0.0859858414	-0.236547
+O	 0.0920018754	-0.1579635535	 0.1208500279	-0.241785
+C	-0.3359882488	 0.5678094514	 1.2254077184	 0.108651
+C	-1.7555892529	 1.0427381493	 1.1870003222	-0.083474
+C	-2.4643122218	 1.2501416608	 2.5265269858	-0.269578
+C	-1.6973587557	 2.3942976098	 3.1836503734	 0.05296
+O	-1.8147948253	 3.6367669057	 2.4840037859	-0.255818
+C	-0.6152692354	 2.8661703682	 2.3038074553	 0.015826
+C	-0.6158025983	 2.0470299774	 1.0506208826	-0.120438
+H	 2.048338715	-0.4792845154	 0.7720890044	 0.106828
+H	 1.717983376	-0.6767231793	-0.9698722601	 0.129361
+H	 1.8146636772	 0.9586410308	-0.2571347295	 0.108488
+H	 0.0806372774	 0.2312563406	 2.1788426122	 0.079509
+H	-2.329564957	 0.767393412	 0.3108382958	 0.100883
+H	-3.5143815742	 1.5273771352	 2.3873572632	 0.116767
+H	-2.4401650881	 0.3519556181	 3.1552128844	 0.102579
+H	-1.648421677	 2.4752057589	 4.2669135699	 0.093292
+H	 0.2933551101	 3.3290038255	 2.6827147878	 0.093815
+H	-0.3884859901	 2.5042974313	 0.0940261319	 0.098681
+19
+0 5582	3.8896579	1.1486021	1.0210099	2.2788	74.66	-0.2302	0.07628	0.30648	1214.5554	0.156791	-422.49778	-422.489706	-422.488762	-422.530416	30.965
+C	 1.4537906327	-0.0188916711	 0.0472898742	-0.233203
+O	 0.0402094477	 0.0370063925	 0.0629858392	-0.243551
+C	-0.4674090555	 0.6999989729	 1.1749741992	 0.047468
+C	-1.8272788632	 0.2436943989	 1.6072877868	 0.05416
+O	-2.652782674	 1.1349913403	 2.3166783966	-0.259426
+C	-2.1736928893	 1.3029307515	 3.631479311	 0.100998
+C	-0.9171618648	 2.1043271907	 3.846720665	-0.328878
+C	-0.8539358307	 0.5867610866	 3.7806413882	-0.07523
+C	-0.6241719116	-0.1090308521	 2.4580835597	-0.135857
+H	 1.8502626528	-0.5394950827	 0.9306092176	 0.108621
+H	 1.7432946619	-0.5658826497	-0.8528440063	 0.128545
+H	 1.8970390775	 0.9874941109	 0.0112171499	 0.10829
+H	-0.213573443	 1.7578119453	 1.2347996278	 0.089897
+H	-2.3657952616	-0.464049115	 0.9856616373	 0.110572
+H	-2.965911672	 1.2986421576	 4.3722476091	 0.100234
+H	-0.5280688344	 2.7042752058	 3.0334856811	 0.122561
+H	-0.785993366	 2.5498027862	 4.8276689623	 0.112068
+H	-0.6001559963	 0.0375762454	 4.6790191434	 0.093871
+H	-0.2259693002	-1.1163132642	 2.466065458	 0.09886
+19
+0 5583	4.1535141	1.0184716	0.907734	0.594	74.47	-0.26137	0.07636	0.33773	1293.5741	0.158121	-422.536438	-422.528436	-422.527491	-422.569131	30.72
+O	 1.6844477535	 0.5058296869	 0.2646337098	-0.417598
+C	 0.3046570559	 0.4315872403	-0.0597936088	-0.088321
+C	 0.0542281443	 0.4350734749	-1.5491322224	-0.048113
+C	-1.207204873	-0.1808984249	-2.1030461906	-0.051905
+C	-1.7225259915	 0.3510721222	-3.4429509901	-0.270335
+C	-0.6360053611	-0.0347605166	-4.4411297116	 0.05239
+O	-0.4920808023	-1.4493976863	-4.6120317051	-0.258944
+C	 0.447445848	-0.7674299098	-3.7679224191	 0.020274
+C	 0.1252546423	-0.8752222147	-2.3083317547	-0.091287
+H	 2.1239395035	-0.2204848678	-0.1901612502	 0.28062
+H	-0.1675370162	-0.4570704861	 0.3914120811	 0.083411
+H	-0.1533172781	 1.3109317611	 0.4058889091	 0.113343
+H	 0.439022056	 1.3152439551	-2.060776865	 0.089032
+H	-1.9221355447	-0.5894835443	-1.3977664066	 0.088783
+H	-2.6750866822	-0.1125234338	-3.7200717796	 0.116411
+H	-1.8750242117	 1.4367003403	-3.4303489454	 0.103184
+H	-0.4724083923	 0.5585297318	-5.3373770173	 0.095268
+H	 1.4750900331	-0.7628568535	-4.1247998198	 0.094154
+H	 0.3699093467	-1.789006335	-1.7746632639	 0.089633
+19
+0 5584	3.7909543	1.1058938	0.9796036	1.3736	74.74	-0.23104	0.07104	0.30208	1239.1769	0.157401	-422.514053	-422.505939	-422.504995	-422.546906	31.215
+O	 1.4216507655	 0.7102570042	-0.5284780585	-0.416853
+C	 0.1168553206	 0.3384728176	-0.1025490321	-0.11477
+C	-0.8141051539	 0.4244816208	-1.2825089389	-0.059445
+C	-2.2474571566	 0.8284652966	-1.0350165325	 0.075705
+O	-3.2391897659	 0.4261029023	-1.9477280874	-0.262366
+C	-3.1164051253	 1.1524564832	-3.1498782214	 0.100778
+C	-1.9626878261	 0.8528519486	-4.0698574339	-0.326912
+C	-1.8767806113	 2.0110566843	-3.0918747545	-0.082514
+C	-1.305935073	 1.7970364018	-1.7065699953	-0.078705
+H	 2.0242102131	 0.5805972783	 0.210253079	 0.285453
+H	 0.1079683611	-0.6871063326	 0.2994500717	 0.090921
+H	-0.241524369	 1.0048840216	 0.700070258	 0.079836
+H	-0.626512385	-0.3136937238	-2.0539967671	 0.09489
+H	-2.6228087169	 0.9282516678	-0.0209960452	 0.094489
+H	-4.0742955698	 1.4720785567	-3.5463709383	 0.097721
+H	-1.3725157842	-0.0406171338	-3.908919295	 0.124928
+H	-2.0967269741	 1.1127623266	-5.1151425133	 0.11082
+H	-1.8609607991	 3.021838728	-3.4804723888	 0.092427
+H	-0.9079485003	 2.663311872	-1.1920421066	 0.093596
+19
+0 5585	3.1579428	1.2768652	1.0965369	1.4248	77.77	-0.21896	0.01341	0.23237	1170.7399	0.156077	-422.534937	-422.526176	-422.525232	-422.567978	33.127
+C	 1.4634888434	-0.1471524751	-0.1141165566	-0.23872
+O	 0.0644754549	 0.0779179826	-0.0517012316	-0.244184
+C	-0.3285935207	 0.7288910996	 1.1063854704	 0.08017
+C	-1.7370134086	 0.4203441131	 1.5408989873	-0.180153
+C	-2.4832659112	 1.4460985689	 2.3859036673	-0.28576
+C	-1.6348488959	 1.5545312608	 3.6394433144	-0.073005
+C	-0.6030820665	 0.7060105635	 3.6303595583	-0.165403
+C	-0.5476011064	-0.0875917388	 2.3686552951	 0.335112
+O	-0.0843219969	-1.3983934121	 2.3756663465	-0.464116
+H	 1.7994519871	-0.798062943	 0.701115161	 0.131332
+H	 1.6634354024	-0.6312922547	-1.0729482456	 0.123078
+H	 2.0234801148	 0.7994794662	-0.0720990184	 0.100539
+H	 0.0644030381	 1.7425340232	 1.2260672962	 0.080516
+H	-2.2698591445	-0.2642403663	 0.8917102731	 0.100276
+H	-2.5713012955	 2.4129006978	 1.8732916536	 0.11494
+H	-3.5086967394	 1.1277132416	 2.6183841695	 0.106899
+H	-1.8507605975	 2.2706387699	 4.4243358161	 0.097184
+H	 0.1450436118	 0.5977879865	 4.407630609	 0.097653
+H	-0.7293522494	-1.9428545339	 2.8403835643	 0.28364
+19
+0 5586	3.2576215	1.2262735	1.0611729	3.1324	76.66	-0.23187	0.00889	0.24076	1180.2022	0.157297	-422.554774	-422.546273	-422.545329	-422.587551	32.968
+O	 1.5030141935	 0.7025548422	 0.2511399927	-0.42832
+C	 0.3516467871	-0.1171613259	 0.3609962988	-0.087395
+C	-0.8710883739	 0.6659979942	 0.7993012209	-0.072309
+C	-1.8307855388	 0.0087785858	 1.7784157682	-0.154912
+C	-3.2635460823	 0.5257977266	 1.8674084544	-0.289489
+C	-3.0998500814	 1.9672873643	 2.311186552	-0.070774
+C	-1.8215159637	 2.2891413508	 2.5214669291	-0.167062
+C	-0.911146502	 1.1436189406	 2.2260847294	 0.379683
+O	 0.2651654727	 0.9790955911	 2.9661167035	-0.481077
+H	 1.6716078002	 1.0380618646	 1.1396069043	 0.293491
+H	 0.1842304463	-0.5468981781	-0.632519397	 0.105053
+H	 0.5260522192	-0.9522501171	 1.0549539564	 0.08514
+H	-1.2803621324	 1.3417179784	 0.0522196948	 0.090124
+H	-1.6119768117	-1.0155447072	 2.0583658586	 0.088694
+H	-3.7864464941	 0.4603624836	 0.9040782459	 0.116346
+H	-3.8662260272	-0.0502410804	 2.5823749096	 0.108265
+H	-3.9403928011	 2.6467658207	 2.3953116816	 0.098819
+H	-1.4433702938	 3.2568275089	 2.8308736918	 0.099607
+H	 0.0311009635	 0.8196394567	 3.8870126753	 0.286117
+19
+0 5587	2.9229615	1.1692751	0.9189452	4.6493	75.93	-0.25943	0.01281	0.27224	1304.5105	0.157832	-422.593839	-422.585396	-422.584452	-422.627239	31.27
+C	 2.8256057868	 0.5161352848	 0.3262080387	-0.37548
+C	 1.8127891622	-0.6105076556	 0.0944482902	-0.219187
+C	 1.9211703071	-1.2273226344	-1.2849597436	 0.001604
+C	 0.7413302436	-1.898163512	-1.9141214369	-0.101313
+C	 1.0491540833	-2.8862693408	-3.0277561743	-0.105519
+O	 1.8190332079	-2.1714058104	-4.0080577407	-0.233061
+C	 1.7831950554	-0.8171657474	-3.791601631	 0.447767
+O	 2.1870165036	-0.0346781475	-4.6017797889	-0.347856
+C	 1.1936004345	-0.5560818197	-2.4439741589	-0.199733
+H	 2.7265954531	 0.9327691784	 1.332936365	 0.116443
+H	 3.8522564521	 0.1515261727	 0.2149865199	 0.121288
+H	 2.6839923391	 1.3291061896	-0.3929173751	 0.127328
+H	 1.9569579029	-1.3974266069	 0.8460349975	 0.10532
+H	 0.7935575239	-0.2311687666	 0.2415250122	 0.09901
+H	 2.8990390796	-1.6461301864	-1.5186143724	 0.102225
+H	-0.1804484042	-2.010191216	-1.3558048182	 0.102976
+H	 1.6414026292	-3.7455157989	-2.6973117343	 0.121868
+H	 0.1334573818	-3.2532440816	-3.5053859708	 0.120535
+H	 0.6740375382	 0.3794988786	-2.2865433784	 0.115785
+19
+0 5588	2.8398647	1.1724709	0.9118196	2.5644	76.55	-0.23578	-0.01988	0.21589999999999998	1311.9047	0.1564	-422.560746	-422.552042	-422.551098	-422.594528	32.035
+C	 0.2220933597	-0.8597873912	 1.0791438026	-0.37189
+C	 0.2176168242	-0.1295948638	-0.2684061887	-0.213547
+C	 1.207376365	-0.7040648452	-1.2613244619	-0.054981
+C	 0.9586206816	-0.6295359199	-2.7263506072	 0.084805
+O	 2.0771750247	-0.6513019283	-3.5843082572	-0.264857
+C	 2.7800923775	-1.8748221057	-3.4216662708	-0.19865
+C	 1.9018918965	-2.8049303271	-2.5653748897	 0.380986
+O	 2.0845830035	-3.9857897537	-2.4112881365	-0.320953
+C	 0.7860321618	-1.9673160637	-2.0449980367	-0.209975
+H	-0.0333865966	-1.9171099506	 0.9566638606	 0.125969
+H	 1.2095252385	-0.8105391047	 1.5501658347	 0.120138
+H	-0.5002729459	-0.4144582557	 1.7696458063	 0.116496
+H	-0.7895505779	-0.1602760024	-0.7028956085	 0.10016
+H	 0.4527120755	 0.9315254109	-0.1158969522	 0.109324
+H	 2.2486764676	-0.6608002319	-0.9489164839	 0.100743
+H	 0.1317639706	-0.0582347698	-3.1334799095	 0.113217
+H	 2.9650806022	-2.3284535867	-4.4011177151	 0.140363
+H	 3.7519356708	-1.7184449618	-2.9321293292	 0.129333
+H	-0.1646943992	-2.4340955388	-1.8214277972	 0.113317
+19
+0 5589	2.8457643	1.2053263	0.9431661	2.4435	76.96	-0.23393	-0.0101	0.22383	1274.357	0.156826	-422.561601	-422.553009	-422.552065	-422.59507	31.844
+C	 1.5154246421	-0.0172637034	-0.1265535924	-0.242978
+O	 0.1060693856	 0.1131470202	-0.0536402969	-0.240296
+C	-0.3251404893	 0.7396229491	 1.1025233682	 0.118149
+C	-1.6978531964	 0.4167763678	 1.5491083762	-0.096958
+C	-2.4105439235	 1.448254649	 2.4267784581	-0.235674
+C	-1.4363570477	 1.7526680693	 3.584312718	-0.340883
+C	-0.4899032486	 0.5403499955	 3.6626561866	 0.415681
+O	 0.1361032019	 0.2007363095	 4.6370880386	-0.334658
+C	-0.5224349752	-0.1530759696	 2.3435643313	-0.200415
+H	 1.9067075031	-0.6328629126	 0.694828332	 0.119993
+H	 1.7414531083	-0.4994279639	-1.079702189	 0.132943
+H	 2.0115156111	 0.9637397283	-0.0946821239	 0.112338
+H	 0.0758517393	 1.7449126365	 1.2491813588	 0.091195
+H	-2.2809970138	-0.233735384	 0.9077708647	 0.107201
+H	-2.697362542	 2.3417844603	 1.8634966549	 0.10872
+H	-3.3301164002	 1.0032118916	 2.8202254755	 0.115208
+H	-0.8297548479	 2.6456797216	 3.387158021	 0.129091
+H	-1.9243106964	 1.9110278642	 4.5475955789	 0.130977
+H	-0.1925788803	-1.1811440092	 2.2690186293	 0.110366
+19
+0 5590	2.7719226	1.164862	0.9087483	3.7886	76.21	-0.23575	-0.01023	0.22552	1298.0157	0.157507	-422.577049	-422.568388	-422.567444	-422.610843	32.093
+O	-3.6456121877	 1.7510741295	 0.3147794366	-0.409735
+C	-3.0132006478	 0.7269307971	 1.0642925946	-0.091035
+C	-2.0203564434	 1.2429295138	 2.0833682768	-0.055779
+C	-0.7448339182	 0.5021770757	 2.3261582093	-0.062362
+C	-0.059083463	 0.7092772012	 3.6782042848	-0.236625
+C	 0.0556292131	 2.2379578551	 3.8531806093	-0.340287
+C	-0.0400099729	 2.8242077611	 2.4319491457	 0.411788
+O	 0.3955696229	 3.8939502639	 2.0856430251	-0.33038
+C	-0.7062444003	 1.8135755009	 1.5552148067	-0.143172
+H	-4.1050100398	 2.3321861687	 0.929405709	 0.283766
+H	-3.753557755	 0.0864708703	 1.5702066738	 0.093493
+H	-2.4962177658	 0.1027475823	 0.3276411258	 0.110175
+H	-2.4739577561	 1.7509643532	 2.9335332805	 0.084053
+H	-0.5914658552	-0.4380128161	 1.807193755	 0.094201
+H	-0.6033569864	 0.2256161455	 4.4957099742	 0.106044
+H	 0.9393606192	 0.2609744827	 3.6452807493	 0.114134
+H	-0.7630011559	 2.6500837836	 4.4552578024	 0.128559
+H	 0.9847361519	 2.561692833	 4.3254405664	 0.130959
+H	-0.5786484397	 1.8901856085	 0.4828986048	 0.112204
+19
+0 5591	2.3739115	1.4257565	1.0654583	2.5298	77.64	-0.24148	-0.03589	0.20559	1192.7065	0.155125	-422.522615	-422.513534	-422.51259	-422.556541	32.953
+C	 1.3340904543	-0.581377747	 1.1231754642	-0.379889
+C	 1.0003846593	 0.0473810019	-0.2340020772	-0.217797
+C	 1.7126051376	-0.6326905289	-1.3860929451	-0.059221
+C	 1.8935847889	 0.1166367285	-2.6734782836	-0.184666
+C	 2.5929687893	-0.7660202812	-3.7005621825	-0.104412
+O	 3.6485495497	-1.1085033922	-2.7600944481	-0.320059
+C	 3.1111300014	-0.2000165061	-1.7942613086	 0.3455
+C	 4.0474763883	 0.6721334409	-1.0708138408	 0.065808
+O	 3.7341575342	 1.557978396	-0.3077079625	-0.27377
+H	 1.1002238422	-1.6516799196	 1.135005783	 0.111704
+H	 2.395595629	-0.4629527861	 1.3578088463	 0.131398
+H	 0.7596166014	-0.104965008	 1.9230627104	 0.116081
+H	-0.080209495	-0.0163948992	-0.4170020315	 0.099131
+H	 1.2635219354	 1.1081570064	-0.2172616697	 0.128331
+H	 1.5618555187	-1.7101490728	-1.4567447944	 0.097153
+H	 1.4474659641	 1.0860339512	-2.8528771177	 0.119946
+H	 2.0504730684	-1.6503295956	-4.0535082727	 0.113518
+H	 3.0029947652	-0.2140832798	-4.5533051947	 0.11788
+H	 5.1107859276	 0.4411456516	-1.3011238947	 0.093365
+19
+0 5592	2.2256885	1.3508407	1.0403324	2.7907	77.59	-0.24681	-0.02567	0.22114	1226.0055	0.155499	-422.52447	-422.515456	-422.514512	-422.558629	32.655
+C	 1.5542889418	-1.1158568998	 1.1784168145	-0.37711
+C	 1.1218075799	-0.2039660289	 0.0258465815	-0.218709
+C	 1.7123412821	-0.6135561527	-1.308494936	-0.097501
+C	 2.0575980585	 0.3268845673	-2.3980029545	 0.037044
+O	 2.5123979936	 1.5859765895	-1.9298317009	-0.274836
+C	 3.6598951506	 0.9679131413	-1.27648535	-0.153069
+C	 3.1949830845	-0.4302458702	-1.6620871926	 0.175954
+C	 4.0583970896	-1.5025894477	-2.1539782919	 0.053025
+O	 5.2678616529	-1.4609124441	-2.1462451688	-0.274097
+H	 1.2564749943	-2.1544992798	 0.9980059941	 0.116607
+H	 2.6415709823	-1.1020382426	 1.3069615235	 0.124358
+H	 1.0998907615	-0.798360294	 2.121569244	 0.119256
+H	 0.0288468276	-0.2168825675	-0.0690619097	 0.106702
+H	 1.3928892321	 0.8349675231	 0.2356929482	 0.122591
+H	 1.3499672546	-1.5668647822	-1.6953022955	 0.099971
+H	 1.725409695	 0.258964718	-3.4285763607	 0.120038
+H	 4.5878841344	 1.2498977736	-1.7806132493	 0.137319
+H	 3.7162210153	 1.2168893466	-0.2121587886	 0.116209
+H	 3.5122167493	-2.3879433699	-2.5545955276	 0.066248
+19
+0 5593	2.0838583	1.5367656	1.0135404	3.0059	78.66	-0.23847	-0.01886	0.21961	1214.5008	0.155451	-422.521844	-422.512788	-422.511843	-422.555766	32.77
+C	 1.3885558548	-0.1885430549	-0.0436027745	-0.245679
+O	-0.0196942859	-0.1161551157	 0.1053232703	-0.241936
+C	-0.4168088678	 0.5598356195	 1.246491489	 0.073173
+C	-1.8111683573	 1.0425666194	 1.2247039267	-0.14487
+C	-2.2224309037	 1.6344212199	 2.5760435395	-0.235824
+C	-1.0195579842	 2.6338561366	 2.5145269596	-0.30579
+C	-0.6298793641	 2.0764008773	 1.1457058583	 0.224881
+C	-0.2339699315	 2.8642953771	-0.0202187235	 0.045226
+O	-0.0299712873	 4.0592064938	 0.0082795018	-0.282688
+H	 1.8556611793	-0.6811514042	 0.8209449718	 0.116386
+H	 1.5828050804	-0.7807233573	-0.9398673455	 0.136223
+H	 1.8357335593	 0.8078707426	-0.163235033	 0.120643
+H	 0.0256346193	 0.1853488807	 2.175676971	 0.088873
+H	-2.4678649225	 0.7537389229	 0.4128922103	 0.113274
+H	-3.1862804967	 2.1439866447	 2.531093592	 0.119002
+H	-2.2375647864	 0.9295385698	 3.4133406655	 0.105438
+H	-1.3256757345	 3.6791297522	 2.4573517875	 0.134161
+H	-0.2629159256	 2.531386015	 3.2986602394	 0.101924
+H	-0.1482167356	 2.2854609306	-0.9647978163	 0.077582
+19
+0 5594	2.0802794	1.5021681	0.991979	4.0537	77.85	-0.24018	-0.01636	0.22382000000000002	1220.1589	0.156138	-422.5371	-422.52804	-422.527096	-422.571114	33.054
+O	 0.4077516031	 0.2177569015	 1.2419729001	-0.409049
+C	 0.3585699589	-0.4429744333	-0.0132211695	-0.110985
+C	-0.5230675566	 0.2463026624	-1.0338662254	-0.093966
+C	-0.0472731424	 0.3186938237	-2.4456656142	-0.113635
+C	-1.1220303678	 0.8928021471	-3.3740295172	-0.236782
+C	-1.2132366427	 2.1696747844	-2.476363782	-0.301935
+C	-0.1125454687	 1.6091604682	-1.5701597859	 0.277104
+C	 0.9938007961	 2.4106994616	-1.0297448061	 0.053596
+O	 1.0650116217	 3.612428923	-1.1611573971	-0.279159
+H	-0.49037078	 0.2855540395	 1.5817269656	 0.286119
+H	 1.394695408	-0.4771814487	-0.3644808568	 0.112892
+H	 0.0246103449	-1.4860766716	 0.0975309376	 0.100855
+H	-1.5934078068	 0.1143278801	-0.8630124714	 0.082774
+H	 0.8465126689	-0.2085982887	-2.7601384293	 0.101214
+H	-0.74289949	 1.1146592137	-4.3732510034	 0.115346
+H	-2.0289008531	 0.2875358011	-3.4703736394	 0.103053
+H	-0.8923348173	 3.0780771055	-2.9869623586	 0.13285
+H	-2.1742589104	 2.3597441043	-1.9891014277	 0.100294
+H	 1.7842745445	 1.8468468464	-0.4932365294	 0.079415
+19
+0 5595	2.9783954	1.2580848	1.1200119	2.8814	75.49	-0.22608	-0.01932	0.20676	1171.5058	0.157265	-422.544621	-422.53631	-422.535366	-422.577745	31.232
+C	 1.9218320454	-0.2649501347	 1.2783037681	-0.38331
+C	 1.6660325812	 0.3611681014	-0.0973937677	-0.223665
+C	 2.0897434691	-0.5582187316	-1.2371868475	 0.014103
+C	 1.9255679931	-0.1158808553	-2.7441830815	-0.226453
+C	 2.7897137202	 1.1536890206	-2.7763573506	-0.091361
+O	 3.9221979346	 0.7351930684	-1.9632800117	-0.278359
+C	 3.5992533631	-0.6276774445	-1.6411295458	-0.038112
+C	 3.0469555029	-1.1568874274	-2.9832552775	 0.444576
+O	 3.2664600432	-2.0410087271	-3.7525018377	-0.31576
+H	 1.3777686502	-1.2086824975	 1.3943991098	 0.117316
+H	 2.9863679104	-0.4739520815	 1.4268021684	 0.123447
+H	 1.6000367356	 0.4061816345	 2.0800996519	 0.118224
+H	 0.5988793606	 0.5928332616	-0.2040381116	 0.101895
+H	 2.2067623735	 1.3090791452	-0.1702815877	 0.121273
+H	 1.6814980331	-1.5655624797	-1.0998867079	 0.093681
+H	 0.9776928075	-0.1222729328	-3.2768489375	 0.093136
+H	 3.1280443777	 1.4132634335	-3.7858023086	 0.118695
+H	 2.3141484342	 2.0301448463	-2.3241419534	 0.110934
+H	 4.3908199744	-1.0833880292	-1.0524748316	 0.09974
+19
+0 5596	3.0947479	1.302932	1.1880139	2.8331	75.27	-0.23174	-0.01151	0.22023	1119.9733	0.157838	-422.550754	-422.542546	-422.541602	-422.583609	30.885
+C	 1.5236493081	-0.1170934219	-0.1860162166	-0.246612
+O	 0.1162016296	-0.1262981777	-0.0566745116	-0.249114
+C	-0.3422803235	 0.5961894335	 1.0450298065	 0.154148
+C	-0.2504019584	-0.0513429811	 2.4831621871	-0.199807
+C	-0.9110534366	-1.4275894362	 2.2337229165	-0.219045
+C	-2.1285072328	-0.9911355506	 1.3393505531	-0.217188
+C	-1.8815102311	 0.5358040482	 1.2738250583	-0.195965
+C	-1.4992815624	 0.8084185486	 2.7408821055	 0.43166
+O	-1.921523493	 1.4768770644	 3.6368841473	-0.321463
+H	 2.0168469105	-0.5906944031	 0.6749392909	 0.113522
+H	 1.7678050984	-0.6798835568	-1.0896068514	 0.132511
+H	 1.9117480983	 0.9075197249	-0.2878223622	 0.112274
+H	 0.0433681124	 1.6250331706	 1.0362533692	 0.082475
+H	 0.6355040026	 0.0032228028	 3.1119771803	 0.080295
+H	-0.2397920096	-2.1042264218	 1.7017687014	 0.113822
+H	-1.218941147	-1.9073231729	 3.1656326977	 0.110583
+H	-2.0885970354	-1.4420903771	 0.3472463624	 0.122804
+H	-3.0937539335	-1.225939486	 1.793917029	 0.10961
+H	-2.5805815268	 1.1571328521	 0.7190337666	 0.08549
+19
+0 5597	2.9155723	1.237742	1.1174781	2.6195	74.85	-0.23636	-0.0082	0.22815999999999997	1155.4736	0.158362	-422.560542	-422.55232	-422.551376	-422.593476	31.29
+O	 0.4428453477	-1.876247935	 1.3885543579	-0.415177
+C	-0.671206727	-1.2388846775	 0.7810296383	-0.112741
+C	-0.9913665287	 0.0950285429	 1.4420983797	-0.003912
+C	-2.1212948015	 1.0315381462	 0.8773421625	-0.166971
+C	-1.6521213416	 1.3223843822	-0.5686153765	-0.227437
+C	-0.1184685117	 1.5534694379	-0.3166062831	-0.228701
+C	-0.0638137811	 1.3502003348	 1.2152997331	-0.169876
+C	-1.3334577673	 2.1179847542	 1.6344826972	 0.436539
+O	-1.5924642987	 3.0391663291	 2.348763054	-0.323531
+H	 1.2142552558	-1.3175690216	 1.2490309539	 0.285303
+H	-0.523569905	-1.1315227206	-0.3022325281	 0.09259
+H	-1.5148038584	-1.9230486588	 0.9221937225	 0.11791
+H	-1.1337203688	-0.0760704996	 2.5132967704	 0.101043
+H	-3.178804269	 0.8467896624	 1.0548639648	 0.08473
+H	-1.8471625979	 0.4886132545	-1.2466229901	 0.111044
+H	-2.1449943409	 2.2064082471	-0.9808982822	 0.115642
+H	 0.50657001	 0.8372320774	-0.8562576379	 0.104776
+H	 0.207545256	 2.5560608175	-0.6039390442	 0.116558
+H	 0.8868600481	 1.4838048969	 1.7284569677	 0.082211
+19
+0 5598	3.0554872	1.4207845	1.3634231	1.9793	75.01	-0.23594	0.00842	0.24436000000000002	1047.4953	0.158225	-422.53896	-422.531187	-422.530243	-422.571284	30.015
+C	 1.4539453456	-0.1547406411	-0.0369858961	-0.242684
+O	 0.0548482068	 0.0144038511	 0.0025740267	-0.25355
+C	-0.4002338882	 0.7013205901	 1.1312407386	 0.16843
+C	-0.1955350142	 2.25353637	 1.1592726452	-0.156016
+C	-1.0064651006	 2.535495884	 2.4565698517	-0.07593
+O	-2.1045021292	 1.6117457292	 2.3897063455	-0.282789
+C	-1.9296475349	 0.8714037212	 1.1495242956	 0.016475
+C	-2.1446271691	 1.8396412683	-0.0007119261	-0.059246
+C	-1.0971780512	 2.6703124138	 0.0102348414	-0.07274
+H	 1.8277917389	-0.6646513954	 0.8648288175	 0.105175
+H	 1.6789732886	-0.7721908759	-0.9096836491	 0.129659
+H	 1.986067438	 0.8026642302	-0.1371243092	 0.107523
+H	-0.0356100913	 0.2185898056	 2.0507491771	 0.069576
+H	 0.8227263841	 2.6406701592	 1.1693803785	 0.06829
+H	-0.4159173037	 2.3315533245	 3.358950972	 0.09834
+H	-1.3792263768	 3.565047547	 2.5027857727	 0.101095
+H	-2.5457443993	-0.0240706337	 1.1976072789	 0.078463
+H	-3.0314893284	 1.8893004873	-0.6179323984	 0.101685
+H	-0.9425041351	 3.5485658345	-0.6036729124	 0.098243
+19
+0 5599	3.0188109	1.3447873	1.2915617	0.5495	74.44	-0.23881	0.00483	0.24364	1069.1661	0.158979	-422.553478	-422.5458	-422.544856	-422.58556	30.271
+O	 1.586021486	 0.6898125667	 0.0906506485	-0.416538
+C	 0.5553039222	-0.1715941016	 0.5602640884	-0.104655
+C	-0.3601449819	 0.5227885609	 1.5603987098	-0.000563
+C	-1.176997465	 1.7383088985	 1.029018792	-0.093998
+C	-1.9428265845	 2.0751540371	 2.3447707466	-0.084222
+O	-2.2197264705	 0.7921170573	 2.9229021355	-0.280979
+C	-1.6561777613	-0.1880151448	 2.0004956919	 0.040521
+C	-2.4950945509	-0.1299225193	 0.7328271798	-0.079363
+C	-2.2021428148	 1.0391666354	 0.1516823212	-0.080197
+H	 2.1420053635	 0.9209923439	 0.841699641	 0.280628
+H	-0.0018130312	-0.477903299	-0.3279367676	 0.117841
+H	 0.9777034222	-1.0817181475	 1.0155140276	 0.085199
+H	 0.2254840092	 0.7936913885	 2.4490602786	 0.066517
+H	-0.6192676879	 2.5635116941	 0.5903641507	 0.078912
+H	-1.3221865813	 2.6599098144	 3.0356358687	 0.096886
+H	-2.8776480782	 2.6170888102	 2.1619884879	 0.098417
+H	-1.5856555935	-1.1377862842	 2.5284964028	 0.073281
+H	-3.2604962025	-0.8423388298	 0.4545866907	 0.101658
+H	-2.6748282895	 1.4852256592	-0.7143236641	 0.100653
+19
+0 5600	2.498331	1.3658785	0.9691402	3.6828	76.	-0.23261	-0.03551	0.1971	1243.1838	0.156247	-422.532829	-422.524092	-422.523148	-422.56683	31.687
+C	 1.1913639811	 1.1887956699	 0.4017868797	-0.388493
+C	 0.9604544321	-0.2911193033	 0.0845898003	-0.192953
+C	 1.6760973167	-0.7560990183	-1.1893598947	-0.123841
+C	 1.0383194586	-0.3375946097	-2.5508674372	-0.094726
+C	 2.0145212113	-0.342590163	-3.7345483338	-0.08548
+O	 1.8679857836	-1.7746179887	-3.9121995849	-0.287684
+C	 0.8082629903	-1.8386393462	-2.929348767	-0.016083
+C	 1.3802770673	-2.2333101373	-1.5491233642	 0.408615
+O	 1.4807176653	-3.260771495	-0.9465217205	-0.297268
+H	 0.6589781089	 1.4815936691	 1.3118863154	 0.120752
+H	 2.2557258835	 1.3976602328	 0.5540076274	 0.120092
+H	 0.839836842	 1.8346316849	-0.4100082456	 0.117498
+H	 1.3102927748	-0.9145465027	 0.9151112265	 0.122105
+H	-0.1156066917	-0.48791033	-0.0100731569	 0.100671
+H	 2.747155246	-0.5317119178	-1.1148130282	 0.099584
+H	 0.2458892894	 0.4075682701	-2.5200164718	 0.088718
+H	 1.6648234317	 0.1971124629	-4.6232843552	 0.107719
+H	 3.050442681	-0.0537254278	-3.5205101812	 0.108532
+H	-0.1055856716	-2.3048892698	-3.3074289184	 0.092244
+19
+0 5601	2.4560451	1.3862539	0.9761965	1.8359	76.01	-0.24343	-0.0294	0.21403	1240.641	0.156156	-422.537726	-422.528974	-422.52803	-422.57175	31.748
+C	 1.209825337	 1.2075329457	 0.3752594529	-0.387781
+C	 0.9906849083	-0.2800637184	 0.0856450732	-0.18892
+C	 1.6845343921	-0.7528580486	-1.1980710837	-0.137817
+C	 0.9876572196	-0.4051876532	-2.5443780815	 0.103356
+O	 1.9114801983	-0.3133048074	-3.6453395309	-0.286911
+C	 1.6770350209	-1.6867279464	-4.0243801071	-0.089349
+C	 0.7059426755	-1.9138269205	-2.8394672278	-0.220751
+C	 1.4170917293	-2.2429791069	-1.5196057967	 0.39506
+O	 1.6024916474	-3.258367768	-0.9133219134	-0.304922
+H	 0.6894680233	 1.5084049065	 1.2897056613	 0.119208
+H	 2.2741510075	 1.4298662108	 0.5051817141	 0.122749
+H	 0.8384151791	 1.8361818911	-0.4408202977	 0.121002
+H	 1.3654026458	-0.8877689663	 0.916862629	 0.12233
+H	-0.0848864086	-0.4919719224	 0.0182945533	 0.098904
+H	 2.7450622875	-0.479159916	-1.1897111527	 0.108609
+H	 0.2341327041	 0.3852158634	-2.5477284605	 0.086684
+H	 1.1878437045	-1.7513186056	-5.0031146927	 0.115769
+H	 2.5934565887	-2.2874739013	-4.0386971242	 0.119296
+H	-0.2588927502	-2.3759708865	-3.0431506348	 0.103486
+19
+0 5602	2.4327443	1.4485685	0.9959039	3.7768	76.47	-0.23863	-0.02817	0.21046	1216.8321	0.155834	-422.524419	-422.515577	-422.514633	-422.558734	31.892
+C	 1.4934131401	 0.1671484307	-0.0725603623	-0.237216
+O	 0.0924656401	 0.0275981116	 0.0491346376	-0.237201
+C	-0.4201452589	 0.5677828663	 1.229122686	 0.016637
+C	-0.3384955798	-0.3017158367	 2.5351327747	-0.066372
+C	-0.191583488	 0.5124682047	 3.8414418651	-0.228274
+C	-1.7353289499	 0.7210567425	 3.885320596	-0.236898
+C	-1.910306493	-0.2501154825	 2.6680465247	-0.154941
+C	-1.9693578771	 0.4365473662	 1.3057076064	 0.384223
+O	-2.8417363052	 0.6614450842	 0.5203916797	-0.292269
+H	 2.0319341492	-0.3672528394	 0.72370617	 0.10899
+H	 1.7757545902	-0.2593837479	-1.0376327132	 0.13466
+H	 1.7941667441	 1.2256750701	-0.0448831569	 0.109762
+H	-0.0615859803	 1.6005818356	 1.3832830663	 0.080482
+H	 0.2105955098	-1.2348874342	 2.4136780815	 0.083469
+H	 0.171333584	-0.0873110748	 4.6795218633	 0.108126
+H	 0.4246399602	 1.4146032928	 3.7771149048	 0.099997
+H	-2.2156694627	 0.3598192159	 4.7961265392	 0.118023
+H	-2.0799541075	 1.7425903368	 3.7053240935	 0.115072
+H	-2.5600115452	-1.113305822	 2.8145046236	 0.093727
+19
+0 5603	3.1493131	1.2573158	0.9965489	3.6542	75.75	-0.24471	-0.02938	0.21533000000000002	1208.0803	0.157384	-422.545783	-422.537351	-422.536407	-422.579199	31.498
+O	-0.2757963466	-0.5960669139	-0.5759843974	-0.423016
+C	-0.0251095578	 0.759820181	-0.2794911618	-0.07571
+C	-0.450772505	 1.0942985097	 1.1571231901	-0.140797
+C	 0.0376539465	 2.4402113502	 1.7758331441	-0.049237
+C	-0.8987699482	 3.0358443995	 2.8514994939	-0.227645
+C	-0.2495416421	 2.1182139136	 3.9284692024	-0.235346
+C	 0.8278698271	 1.6376549697	 2.8942936711	-0.148831
+C	 0.4451468622	 0.3600580857	 2.1681089881	 0.416045
+O	 0.8371482156	-0.7784776737	 2.2034098867	-0.335773
+H	 0.1613455278	-1.1174978316	 0.1113867696	 0.297304
+H	 1.0385004006	 1.0193528274	-0.4167509524	 0.086574
+H	-0.599398167	 1.3582835585	-0.9948738699	 0.111575
+H	-1.5217337431	 0.8950412524	 1.2674247718	 0.103783
+H	 0.5380279873	 3.1178626191	 1.0834782345	 0.079769
+H	-0.7056551583	 4.0946244349	 3.0405152491	 0.108599
+H	-1.970757321	 2.9105848643	 2.6761784288	 0.104688
+H	 0.1845943152	 2.6516824866	 4.7753336109	 0.119587
+H	-0.8867583943	 1.3228523404	 4.3221348325	 0.117566
+H	 1.8736823112	 1.7797489363	 3.1680955279	 0.090865
+19
+0 5604	3.9804233	1.0869863	0.9185482	1.9898	78.71	-0.22393	0.01214	0.23607	1295.4899	0.156798	-422.519621	-422.511104	-422.51016	-422.552911	31.603
+C	 1.4652179434	-0.0014720782	 0.0005542976	-0.232709
+O	 0.0520360146	-0.0114108813	 0.0630540756	-0.236871
+C	-0.4460032505	 0.6103659978	 1.1968880541	 0.072118
+C	-1.81617146	 1.2002575904	 1.1015828819	 0.038705
+O	-2.6331166423	 1.067942415	 2.2281050873	-0.264473
+C	-2.8341526514	 2.2604213163	 2.9790824349	-0.115673
+C	-1.5584963017	 3.0143288148	 3.2605504625	-0.081074
+C	-0.5233703047	 2.9386348457	 2.4249124389	-0.081679
+C	-0.6289183938	 2.1320063417	 1.1880389251	-0.150278
+H	 1.9105842935	-0.5365018346	 0.8524196003	 0.109844
+H	 1.7497799158	-0.5075910127	-0.9246235574	 0.128727
+H	 1.8627558867	 1.0236551164	-0.0105620626	 0.10728
+H	-0.1812334114	 0.1542875311	 2.1519285985	 0.095591
+H	-2.3346069428	 1.1053771471	 0.14922599	 0.100414
+H	-3.5564157427	 2.9207435268	 2.4685087761	 0.104552
+H	-3.3048723204	 1.9371945208	 3.9130614517	 0.116508
+H	-1.5237128916	 3.6203892319	 4.1608464723	 0.095127
+H	 0.404523209	 3.4679096976	 2.623875018	 0.092144
+H	-0.3311720894	 2.6103123936	 0.2586825251	 0.101747
+19
+0 5605	3.9221476	1.0348383	0.8770153	1.1663	77.98	-0.23402	0.01213	0.24615	1325.5505	0.157541	-422.535188	-422.526653	-422.525709	-422.568692	31.836
+O	 1.6735977061	 0.5424293417	-0.2268573809	-0.413639
+C	 0.5039041298	 0.1457793187	 0.4783117555	-0.091842
+C	-0.4966909634	 1.2610456664	 0.6614584248	-0.080033
+C	-1.9790232598	 0.9940471392	 0.5612186698	 0.067218
+O	-2.8078282766	 1.7004058075	 1.438589683	-0.264218
+C	-3.578133927	 2.7399385789	 0.8444781405	-0.118645
+C	-2.7708535936	 3.6380937791	-0.0586249778	-0.080177
+C	-1.6888681916	 3.1780203061	-0.6842310373	-0.087377
+C	-1.2955489117	 1.755612466	-0.5390832999	-0.099856
+H	 2.0852400098	 1.2573929357	 0.2689344642	 0.281131
+H	 0.062306339	-0.6560543265	-0.123868448	 0.105554
+H	 0.7592594237	-0.2899806098	 1.4572224099	 0.093356
+H	-0.2398282239	 2.0216156881	 1.3950263301	 0.09009
+H	-2.3099130341	-0.0269890488	 0.3752097379	 0.087683
+H	-4.435822532	 2.3190310994	 0.2912969454	 0.103511
+H	-3.990821605	 3.3082319045	 1.6843120916	 0.116483
+H	-3.1074433483	 4.6638426329	-0.1760077159	 0.094924
+H	-1.0882059133	 3.8179211679	-1.3245900788	 0.094686
+H	-1.1028927981	 1.2224479631	-1.4667731543	 0.101149
+19
+0 5606	3.1784978	1.1384945	0.9265219	1.7836	77.23	-0.23765	0.00548	0.24313	1293.3236	0.156327	-422.548262	-422.539427	-422.538482	-422.581773	32.903
+C	 1.2885795154	 0.7034182268	 0.2333473619	-0.501738
+C	-0.0660444519	 0.0790558886	 0.3329870168	 0.327863
+C	-0.3731802485	-1.2106278915	 0.5213625274	-0.204114
+C	-1.8672216683	-1.4690303969	 0.54422226	-0.108782
+C	-2.3377570951	-2.3666590812	-0.6112039026	-0.068838
+O	-3.7456414224	-2.5427162817	-0.6305374248	-0.415303
+C	-2.4514878876	-0.0618174909	 0.4383710929	 0.046335
+O	-2.0958148082	 0.8158493482	 1.5066777349	-0.26672
+C	-1.332370646	 0.8810383995	 0.2788571679	-0.065505
+H	 1.4539105747	 1.4207896915	 1.0467221261	 0.137248
+H	 2.081948077	-0.0476383613	 0.2735458287	 0.125752
+H	 1.3988244461	 1.2628492145	-0.704214788	 0.127995
+H	 0.3531301427	-2.0036617233	 0.6695806486	 0.092871
+H	-2.1706530479	-1.939086667	 1.491915409	 0.084792
+H	-2.0833154262	-1.8986381089	-1.5680681661	 0.114563
+H	-1.809001227	-3.3314208149	-0.5700658618	 0.090492
+H	-3.9992040726	-2.9924276535	 0.1821523416	 0.283723
+H	-3.4377771686	 0.0830706078	 0.0082270251	 0.107307
+H	-1.3972053656	 1.8271233141	-0.2516992577	 0.092059
+19
+0 5607	3.2342103	1.1740234	0.9401945	0.7977	78.22	-0.23716	0.00122	0.23838	1293.4502	0.155563	-422.532383	-422.523447	-422.522503	-422.566091	32.7
+C	 1.4954655771	 0.0232521095	-0.1283249508	-0.236565
+O	 0.1365070502	-0.227996854	 0.1599093453	-0.247441
+C	-0.3752526978	 0.553378082	 1.2263042136	 0.068117
+C	-1.8856554813	 0.5811198088	 1.1779225288	-0.219108
+C	-2.4537516461	 0.0616303472	 2.2725838139	 0.33784
+C	-3.9096283497	-0.0605513239	 2.5885402718	-0.501942
+C	-1.3825857411	-0.373037761	 3.2275925163	-0.062523
+O	-0.547293417	 0.7178455697	 3.6980330716	-0.258946
+C	-0.0915925112	-0.0702750552	 2.6005659005	 0.003312
+H	 2.1573206399	-0.2096065119	 0.7191586904	 0.106834
+H	 1.769248222	-0.6181235126	-0.9694166129	 0.129016
+H	 1.6609898432	 1.0742146044	-0.4118045007	 0.108119
+H	 0.0406421404	 1.5735095426	 1.1768316576	 0.082384
+H	-2.4167295723	 1.0256951535	 0.3436297148	 0.1004
+H	-4.170817617	 0.5264312417	 3.4777264221	 0.137817
+H	-4.5312980714	 0.2815193911	 1.7573219526	 0.12878
+H	-4.1789872139	-1.1009408364	 2.8092925214	 0.130059
+H	-1.5414355515	-1.1684021398	 3.9504266944	 0.094947
+H	 0.8111816074	-0.6537682256	 2.7622230893	 0.098899
+19
+0 5608	3.2961672	1.1047195	0.8700351	3.8893	78.55	-0.24575	-0.02924	0.21651	1339.1532	0.156093	-422.595463	-422.586391	-422.585446	-422.62942	33.497
+C	 1.3697772285	 0.8761152105	 0.285680019	-0.487027
+C	-0.0300480018	 0.3519676352	 0.3008396482	 0.306661
+C	-1.1450955347	 1.0164608404	-0.024220998	-0.187239
+C	-2.3991786246	 0.1961885201	 0.1110557198	-0.174283
+C	-3.2894022373	 0.0797234134	-1.1473584897	-0.0557
+O	-4.4553882995	-0.6665088292	-0.8926044668	-0.424745
+C	-1.8475050682	-1.181378994	 0.5004917524	 0.400252
+O	-2.4971196911	-2.2004770172	 0.5507864805	-0.331033
+C	-0.3390790978	-1.0646833851	 0.7282958977	-0.412273
+H	 1.8238512278	 0.8231192664	 1.2834051563	 0.130011
+H	 2.0086158992	 0.2795361303	-0.3778315983	 0.130677
+H	 1.4052791029	 1.9159366854	-0.0502598644	 0.128385
+H	-1.1629593326	 2.0513356915	-0.3504663326	 0.097174
+H	-3.0519777567	 0.5571078237	 0.9199520337	 0.11538
+H	-3.6066598941	 1.0795219776	-1.4637679227	 0.106602
+H	-2.6936035979	-0.3491814783	-1.9706898965	 0.085604
+H	-4.1651009186	-1.4960989116	-0.4866644625	 0.296103
+H	-0.10425811	-1.253300695	 1.7857982963	 0.138397
+H	 0.1972387865	-1.8348074539	 0.1594679778	 0.137055
+19
+0 5609	2.5443	1.3115428	1.0047463	3.4586	78.34	-0.23027	-0.02419	0.20608	1243.1752	0.15493	-422.573656	-422.564186	-422.563242	-422.608284	33.875
+C	 1.2925511187	-0.1722873909	-0.3424632949	-0.249564
+O	-0.0765390986	-0.0795081537	 0.0106520526	-0.236018
+C	-0.3472907134	 0.6300793603	 1.1970002418	-0.005012
+C	 0.0703531681	 2.0788773035	 1.2495829067	-0.223822
+C	 0.6594592786	 2.4211188108	 2.4014301325	 0.316776
+C	 1.1433629038	 3.7796972223	 2.7949758793	-0.48628
+C	 0.7824321732	 1.2403290187	 3.3380776258	-0.413331
+C	 0.3309029983	 0.0565426947	 2.4748059958	 0.359977
+O	 0.5130641937	-1.1079989541	 2.7042120884	-0.298289
+H	 1.8654806373	-0.7538132922	 0.3911426294	 0.124483
+H	 1.3282323744	-0.6874741028	-1.304789314	 0.129942
+H	 1.7572484322	 0.8175197024	-0.4521434717	 0.106413
+H	-1.4355069498	 0.5300892209	 1.3251997014	 0.113332
+H	-0.1362431704	 2.7632451372	 0.433647771	 0.101458
+H	 0.6214328972	 4.1428887329	 3.6893769585	 0.131574
+H	 2.2111763696	 3.7573839399	 3.0473747887	 0.13145
+H	 0.9943888243	 4.5077928599	 1.9931988182	 0.128676
+H	 1.7939047972	 1.081614199	 3.7319002223	 0.13182
+H	 0.1232182255	 1.3274860609	 4.2136811181	 0.136415
+19
+0 5610	2.6676082	1.2524152	0.9454027	3.9571	77.94	-0.23677	-0.04704	0.18973	1252.1145	0.156592	-422.594067	-422.584913	-422.583969	-422.62837	33.46
+C	-0.5589763053	 2.1988704672	 1.1985847953	-0.407332
+C	-0.8775981631	 1.2138450989	 0.0727946054	-0.089229
+C	-2.3206765957	 0.6592122688	 0.0391459304	-0.086968
+C	-3.1973606694	 1.255525586	-1.0728276931	-0.07758
+O	-3.3209530583	 2.6636491185	-0.9730045155	-0.409419
+C	-2.1369729057	-0.8353187156	-0.1004270228	-0.066516
+C	-0.8557399519	-1.2173777636	-0.0682277614	-0.190787
+C	 0.0220239925	-0.036534217	 0.1142214549	 0.37436
+O	 1.2207839323	-0.0346107549	 0.2751930147	-0.338873
+H	-0.8049437726	 1.7743796316	 2.1783815363	 0.114036
+H	 0.5084764343	 2.4339820707	 1.1948679926	 0.14044
+H	-1.1266309378	 3.1247362477	 1.0715879186	 0.116935
+H	-0.6698984955	 1.7092687864	-0.8847676091	 0.113854
+H	-2.8257351347	 0.8640311684	 0.997106581	 0.080791
+H	-2.7345289435	 1.0663960637	-2.047671941	 0.119074
+H	-4.1829927068	 0.7630884341	-1.0777271904	 0.089337
+H	-3.8038778971	 2.8641852682	-0.164633827	 0.284889
+H	-2.985804895	-1.5038325672	-0.2102436516	 0.114116
+H	-0.4714982567	-2.227513522	-0.1315590772	 0.118872
+19
+0 5611	3.1197631	1.1343108	0.8776993	3.2114	78.43	-0.2466	-0.05489	0.19171000000000002	1327.9379	0.156398	-422.594706	-422.585616	-422.584672	-422.628815	33.388
+C	 1.6034723546	 1.3071578502	 0.4227133665	-0.392747
+C	 1.1217299396	-0.1261199864	 0.1790112186	-0.197758
+C	 1.6484128741	-0.7518139601	-1.1223585806	-0.046103
+C	 1.105530274	-0.1375755531	-2.3977271935	-0.050945
+C	 0.7683398147	-1.0385779596	-3.3329802534	-0.193026
+C	 1.0527719243	-2.3896248454	-2.8166497142	 0.336251
+O	 1.1503655338	-3.4431136401	-3.4079701421	-0.350894
+C	 1.3043455932	-2.2439573631	-1.3099819012	 0.025663
+O	 2.2871728407	-3.1344665989	-0.8525716149	-0.4437
+H	 1.2208790128	 1.6906614836	 1.3731283648	 0.120581
+H	 2.6972311256	 1.3545233195	 0.4610676726	 0.121982
+H	 1.2695035715	 1.9928934089	-0.3631826091	 0.115732
+H	 1.4438753297	-0.7633647257	 1.010754033	 0.119999
+H	 0.0243285538	-0.1563763768	 0.1743217664	 0.099456
+H	 2.7445901441	-0.6674055004	-1.1298252134	 0.110442
+H	 1.0254401377	 0.9372487805	-2.5241033855	 0.119852
+H	 0.408440224	-0.8397876268	-4.3342283404	 0.122526
+H	 0.3353040127	-2.4347693323	-0.8114628057	 0.090416
+H	 2.2679184393	-3.8792668741	-1.4718817581	 0.292273
+19
+0 5612	2.7864118	1.2819623	0.9512267	3.0279	78.33	-0.23841	-0.04955	0.18886000000000003	1248.8005	0.155841	-422.579589	-422.570368	-422.569424	-422.613963	33.262
+C	 1.5219967674	 0.1042903709	-0.0892174635	-0.236644
+O	 0.1507540196	-0.1798308332	 0.084214688	-0.248461
+C	-0.4565371614	 0.5224679867	 1.151366211	 0.068504
+C	-1.9525382199	 0.3460689674	 1.0373453123	-0.074924
+C	-2.5275419252	-0.0180713497	 2.1864836503	-0.187453
+C	-1.499509805	-0.1697781223	 3.2434672257	 0.376652
+O	-1.6851592084	-0.3754721833	 4.4200997993	-0.335026
+C	-0.1203459466	 0.0077315222	 2.5747964102	-0.121605
+C	 0.8184237854	 0.8604774631	 3.4288740717	-0.412526
+H	 2.1320474593	-0.2523943556	 0.7532276435	 0.112915
+H	 1.8445425618	-0.4128564301	-0.9959195899	 0.131372
+H	 1.6991689243	 1.1842192711	-0.2120938249	 0.106742
+H	-0.2017589365	 1.5949354163	 1.0691117502	 0.079215
+H	-2.4534707841	 0.5176665325	 0.091240775	 0.124955
+H	-3.5823637748	-0.1759335408	 2.3721854984	 0.12208
+H	 0.2946437278	-1.0016967794	 2.4560129577	 0.117006
+H	 0.841181632	 0.4703825827	 4.4497496041	 0.143864
+H	 1.8374703146	 0.8648973397	 3.0321873915	 0.113861
+H	 0.4709393399	 1.8982454416	 3.4782947694	 0.119474
+19
+0 5613	2.7267598	1.3242806	0.9962846	3.4422	76.91	-0.24921	-0.03092	0.21828999999999998	1219.9052	0.156615	-422.590997	-422.58205	-422.581106	-422.62495	33.139
+C	-0.5316581491	-2.2110808161	-1.1264751026	-0.39341
+C	-0.8849736803	-1.2222260171	-0.0063728231	-0.141427
+C	-2.2953987818	-0.6834070642	-0.0085177344	-0.082529
+C	-2.3452238359	 0.6494679467	 0.0350036163	-0.097362
+C	-0.9795768901	 1.284158877	 0.0753198403	-0.177285
+C	-0.6746050885	 2.3391720422	-1.0111896244	-0.058636
+O	 0.6062199788	 2.8991094333	-0.8461657447	-0.423726
+C	-0.0555708467	 0.0695695557	-0.078678546	 0.396269
+O	 1.1327421075	 0.1258549969	-0.3018864502	-0.339845
+H	-1.0833640556	-3.1480112464	-1.0079059036	 0.118955
+H	-0.7771366805	-1.7933991829	-2.1077221277	 0.123698
+H	 0.5388888853	-2.43018671	-1.1064855032	 0.141488
+H	-0.6567296801	-1.7029392267	 0.9582707742	 0.114455
+H	-3.1599806668	-1.33763973	-0.032187101	 0.104159
+H	-3.2562343115	 1.2375044123	 0.0509949834	 0.10567
+H	-0.7750361906	 1.7651210011	 1.0434011018	 0.118079
+H	-0.8009038069	 1.8781557943	-2.0050780313	 0.087533
+H	-1.3984947304	 3.1583891813	-0.9390838286	 0.10732
+H	 1.2235827831	 2.1554882527	-0.7913380253	 0.296593
+19
+0 5614	3.1603355	1.1399383	0.8982001	2.4768	77.13	-0.25007	-0.0283	0.22177000000000002	1318.6989	0.155831	-422.58776	-422.578526	-422.577582	-422.622183	33.723
+C	 1.1330098675	 1.2907047055	 0.1264185399	-0.393221
+C	 1.0568776514	-0.2378733576	 0.1309650575	-0.173928
+C	 1.8749722835	-0.8970953674	-0.9916175223	-0.156123
+C	 3.382761456	-0.8734884399	-0.8427833371	-0.076108
+C	 3.955759152	-2.0601720724	-1.0576584456	-0.103227
+C	 2.952248493	-3.1062679354	-1.4662721753	 0.019494
+O	 3.0880012437	-4.3476618791	-0.8157570876	-0.440728
+C	 1.6315285589	-2.4075254184	-1.1011697751	 0.347641
+O	 0.622629488	-3.007621971	-0.8288787313	-0.325058
+H	 0.5269076751	 1.7130755182	 0.9334656248	 0.120182
+H	 2.1588179687	 1.6483527995	 0.2649508562	 0.117984
+H	 0.7629824949	 1.7032411843	-0.8188457507	 0.116912
+H	 1.4018815278	-0.6285343157	 1.0957354614	 0.106279
+H	 0.0173284257	-0.564514933	 0.0214315033	 0.121733
+H	 1.5745157567	-0.4404225475	-1.9494789199	 0.10941
+H	 3.9197078435	 0.0329034239	-0.5864013472	 0.107548
+H	 5.0161733838	-2.2735080017	-1.0000391881	 0.113161
+H	 2.976317028	-3.2454408616	-2.5647163017	 0.094589
+H	 2.1862394417	-4.6610607206	-0.6571888914	 0.293458
+19
+0 5615	2.5409278	1.4047003	1.1365571	2.9495	76.61	-0.23152	-0.02596	0.20556	1158.0912	0.155438	-422.569077	-422.559745	-422.558801	-422.603507	33.556
+C	 1.214116806	-0.2610527635	-0.3991447393	-0.251324
+O	-0.1404272441	-0.0998693141	-0.0129738193	-0.235399
+C	-0.3480384182	 0.6487715131	 1.1595167598	-0.008888
+C	 0.1267246705	 2.0833832602	 1.1629973966	-0.1313
+C	 0.7262206721	 2.4191601305	 2.3070153111	-0.07037
+C	 0.8170210511	 1.2783646532	 3.2927974003	-0.145986
+C	 2.1885973597	 1.0420395239	 3.9353436411	-0.394222
+C	 0.3386086301	 0.0893575079	 2.4377089039	 0.353397
+O	 0.5256103926	-1.0730357029	 2.6778436549	-0.30662
+H	 1.7796412831	-0.8502243772	 0.3334442747	 0.127126
+H	 1.2008185926	-0.7983459337	-1.3497455307	 0.130771
+H	 1.7178761963	 0.7047772572	-0.5444111693	 0.107493
+H	-1.4354113189	 0.6031501686	 1.321359524	 0.116786
+H	-0.0559801864	 2.7468010903	 0.3254929208	 0.110089
+H	 1.1083946454	 3.4074596685	 2.5411049614	 0.10512
+H	 0.0761238408	 1.4109568411	 4.0973751067	 0.112921
+H	 2.1743782744	 0.1155737104	 4.514753309	 0.141378
+H	 2.9676889081	 0.9521804035	 3.1720007747	 0.122581
+H	 2.457226335	 1.867625253	 4.6009594596	 0.116447
+19
+0 5616	3.0417621	1.1787297	1.0350948	3.1533	76.29	-0.24225	0.00358	0.24583	1229.1026	0.155872	-422.550908	-422.542034	-422.54109	-422.584345	33.275
+C	 3.0898148382	-5.2285572867	 0.5206806954	-0.492197
+C	 3.2042311218	-3.8267892376	-0.0068960086	 0.387735
+O	 3.2739540533	-3.6896061446	-1.4511655231	-0.304598
+C	 2.1733908734	-3.0893990587	-0.7650522811	-0.023682
+C	 2.3335087596	-1.595833282	-0.4890937419	-0.070373
+C	 1.0995010003	-1.0011392437	 0.1902918234	-0.090175
+O	 0.0239158401	-1.0667328297	-0.7346796717	-0.419353
+C	 3.5659417018	-1.5555798106	 0.3957436756	-0.103831
+C	 4.0211901049	-2.7765847856	 0.6854367416	-0.138919
+H	 2.7320141138	-5.2271268863	 1.5558377428	 0.122209
+H	 2.3970369679	-5.8121473563	-0.0901687694	 0.132453
+H	 4.0635591229	-5.7308220938	 0.503238855	 0.127372
+H	 1.1914918156	-3.4903350989	-0.9999890243	 0.100435
+H	 2.4962312905	-1.0475488595	-1.4261035211	 0.105932
+H	 0.8773619962	-1.5696112425	 1.1073758059	 0.089359
+H	 1.3096910159	 0.0376694542	 0.4897801024	 0.089301
+H	-0.7750009717	-0.7668795574	-0.2916502019	 0.289205
+H	 4.0190413531	-0.6226279397	 0.7139690821	 0.09986
+H	 4.8840895421	-3.0065141506	 1.2996662888	 0.099266
+19
+0 5617	3.6073776	1.2174977	1.0194441	2.3301	76.95	-0.24354	-0.00443	0.23911000000000002	1220.2624	0.155282	-422.531374	-422.522446	-422.521502	-422.565069	32.908
+C	 1.4825590686	-0.1757213133	 0.0170951548	-0.23163
+O	 0.0778808354	-0.0581252408	 0.0421451779	-0.24215
+C	-0.4059660931	 0.7554370001	 1.0884260829	 0.082566
+C	-1.9236287703	 0.7313935036	 1.0809201428	-0.11595
+C	-2.4471284125	 1.9555875903	 1.0670771916	-0.130869
+C	-1.3632791805	 2.9981156504	 1.0113372393	 0.387832
+C	-1.5635397661	 4.3840211127	 1.5539576048	-0.492725
+O	-0.5863766558	 2.8840758996	-0.2073220634	-0.28693
+C	-0.0927829581	 2.2571764872	 0.9797883366	-0.077224
+H	 1.8761329488	-0.5539732579	 0.9746135517	 0.09948
+H	 1.7312555334	-0.8887747699	-0.7723486097	 0.129657
+H	 1.9750464579	 0.7815870519	-0.2063879631	 0.114717
+H	-0.0113077559	 0.386569583	 2.0543232072	 0.06684
+H	-2.4665962025	-0.2050995114	 1.0385984883	 0.111392
+H	-3.5028238252	 2.2008450613	 1.0596117497	 0.103289
+H	-1.8518754009	 4.3503317451	 2.6099618604	 0.126054
+H	-0.647240467	 4.9707711961	 1.4560281129	 0.132665
+H	-2.3591799549	 4.9008551177	 1.0058729735	 0.130331
+H	 0.8352555786	 2.6627336744	 1.3749633919	 0.092654
+19
+0 5618	3.5295151	1.2087637	1.0200486	1.6549	76.83	-0.22697	0.00281	0.22978	1200.1794	0.156247	-422.536629	-422.527975	-422.52703	-422.569743	32.99
+C	 1.4606391464	-0.1740147953	 0.0069004465	-0.229453
+O	 0.0590463983	-0.0329590477	 0.0477131585	-0.244071
+C	-0.3955222114	 0.752446078	 1.1401439653	 0.066927
+C	-1.9152260432	 0.7244558659	 1.1391923854	-0.096042
+C	-2.4426770378	 1.9465332621	 1.1014744716	-0.180463
+C	-1.3809814597	 3.0032659512	 1.044908384	 0.38336
+O	-1.5792397917	 4.2274028582	 1.6776867931	-0.466395
+C	-0.5224280011	 2.9970819316	-0.1837744115	-0.302076
+C	-0.062680661	 2.2459171438	 1.0557599793	-0.154983
+H	 1.849357202	-0.6303583001	 0.931848207	 0.099168
+H	 1.6956729083	-0.8302518204	-0.8347061914	 0.125122
+H	 1.9687270028	 0.7897446297	-0.1418651971	 0.110832
+H	 0.0130463331	 0.3240093464	 2.0731358729	 0.064511
+H	-2.4566600935	-0.2129668147	 1.0999554854	 0.106207
+H	-3.4986624065	 2.1916885006	 1.0711471231	 0.104095
+H	-1.7009451739	 4.0577454856	 2.6188747438	 0.280798
+H	-0.8438176747	 2.4284390747	-1.0490588012	 0.126506
+H	 0.0059271131	 3.9206040262	-0.3955228273	 0.118352
+H	 0.7834036405	 2.6457046441	 1.6009650724	 0.087606
+19
+0 5619	3.4170734	1.144896	0.9716491	2.5563	76.44	-0.22931	0.00801	0.23732	1232.6818	0.156828	-422.550442	-422.54181	-422.540865	-422.583455	33.345
+O	 1.6410194598	 0.6953129086	-0.2786581736	-0.415341
+C	 0.6784970061	 0.0613282585	 0.5471601692	-0.057999
+C	-0.3485083634	 1.0460372841	 1.1262350557	-0.085229
+C	-1.3828169016	 0.3843001381	 2.0232709659	-0.089985
+C	-2.6324367589	 0.6928948627	 1.6712181617	-0.185142
+C	-2.6654278234	 1.5791275539	 0.466294309	 0.386881
+O	-3.6521395113	 2.5547064321	 0.344076834	-0.468761
+C	-2.142656767	 0.9612924682	-0.7962297431	-0.307728
+C	-1.2015849143	 1.7680416678	 0.0824464132	-0.119809
+H	 2.139462952	 1.3108281307	 0.2685405185	 0.27954
+H	 0.1763613248	-0.672254209	-0.0913151961	 0.114498
+H	 1.1593453961	-0.4950143907	 1.3682582743	 0.082654
+H	 0.2226874173	 1.7856550899	 1.7126426813	 0.067487
+H	-1.1046922142	-0.292996408	 2.823770183	 0.095872
+H	-3.5396045385	 0.3439034004	 2.1521716669	 0.10132
+H	-3.5537354249	 3.1679678291	 1.0812677123	 0.27919
+H	-2.0565343526	-0.1186001779	-0.8538373465	 0.112162
+H	-2.4371678299	 1.4491199144	-1.7194078391	 0.120825
+H	-0.8610051761	 2.7136510873	-0.3198792568	 0.089565
+19
+0 5620	2.2995701	1.5455504	1.0305015	1.0331	77.17	-0.22427	0.00992	0.23419	1179.4844	0.156488	-422.535222	-422.52654	-422.525595	-422.568556	32.646
+C	 1.494772705	-0.1248941456	 0.0105235921	-0.233905
+O	 0.0943948805	 0.0320374978	-0.0354549462	-0.246482
+C	-0.4332120741	 0.7133696746	 1.0936130507	 0.078896
+C	-1.9470015938	 0.7181598916	 0.9948263768	-0.115954
+C	-2.4571232702	 1.9483553566	 1.0710914309	-0.083984
+C	-1.390212264	 2.9832458441	 1.1795713293	-0.153232
+C	-0.4418663769	 3.0529246821	-0.0108424368	 0.109161
+O	 0.3540526653	 4.1867577202	-0.1764364027	-0.435318
+C	-0.0815215341	 2.2054530052	 1.1704716521	-0.102373
+H	 1.8125261586	-0.6668224854	 0.9161780755	 0.099223
+H	 1.7842055565	-0.7077529914	-0.8674081548	 0.12416
+H	 2.0206475414	 0.8404245532	-0.0164205476	 0.115596
+H	-0.0895989769	 0.1927286819	 2.0056372992	 0.065909
+H	-2.5014414403	-0.1996598095	 0.842184743	 0.102868
+H	-3.5122456885	 2.1930211074	 1.0159545855	 0.098769
+H	-1.5133840873	 3.8741067585	 1.7846385577	 0.09162
+H	-0.7511682395	 2.5460547802	-0.9243628168	 0.101356
+H	-0.1721083124	 4.8548661098	-0.6283077173	 0.287088
+H	 0.7537658908	 2.5436303986	 1.7705281894	 0.096604
+19
+0 5621	2.6054341	1.2223328	0.9112311	2.5203	76.92	-0.2248	0.01342	0.23822	1282.3236	0.157047	-422.550405	-422.54172	-422.540776	-422.583673	33.053
+O	 1.2626020905	 0.6353744295	 0.2136740592	-0.421961
+C	 0.313138776	-0.4039486807	 0.3835305052	-0.072833
+C	-0.8698848717	-0.0003800947	 1.2814336658	-0.06174
+C	-1.9451693545	-1.0706589892	 1.3199698382	-0.110977
+C	-2.0857661388	-1.6158055212	 2.5327028022	-0.085382
+C	-1.2244337052	-0.9445323605	 3.5412236109	-0.137848
+C	-1.5221830871	 0.5367360523	 3.7465100116	 0.078872
+O	-1.0269872271	 1.1721506596	 4.8859703073	-0.428144
+C	-0.4791640225	 0.1380657797	 2.7551125703	-0.071031
+H	 1.6654007303	 0.8150571055	 1.0688225027	 0.285052
+H	-0.0550966735	-0.6358078049	-0.6213666393	 0.10561
+H	 0.7786918351	-1.3189672285	 0.7820444354	 0.090549
+H	-1.2590625797	 0.947172544	 0.8848505028	 0.090831
+H	-2.5110623538	-1.3487037309	 0.4376506789	 0.096295
+H	-2.7763389431	-2.4131148003	 2.7842230389	 0.096948
+H	-0.7659926856	-1.4876344187	 4.3601528965	 0.089466
+H	-2.4805992568	 0.9042391784	 3.3762966215	 0.088079
+H	-1.6097946934	 0.95889728	 5.6224855607	 0.287597
+H	 0.5386573809	 0.3956300907	 3.0298961913	 0.080617
+19
+0 5622	2.5458127	1.4308721	1.0934977	2.8049	75.65	-0.2437	0.00044	0.24414	1154.7512	0.15611	-422.549833	-422.541013	-422.540069	-422.583134	33.18
+C	-2.6104745169	-1.7975390031	 1.9424211962	-0.490905
+C	-2.0994863518	-0.4165977253	 1.6357591656	 0.397276
+O	-2.7269680384	 0.2662718092	 0.5399817474	-0.301346
+C	-2.8379277991	 0.83857226	 1.8705470099	-0.070342
+C	-1.8293459867	 1.9050457239	 2.1372095912	-0.091573
+C	-0.596238387	 1.3993715654	 2.0526876788	-0.074885
+C	-0.6012223302	-0.0882807733	 1.7580842499	-0.144093
+C	 0.202124093	-0.4566209531	 0.4989123362	-0.06923
+O	 1.5690142117	-0.0875183024	 0.5950153398	-0.416911
+H	-2.3403553664	-2.0965333185	 2.9608011543	 0.121963
+H	-3.6981154587	-1.8328628757	 1.8427723764	 0.132169
+H	-2.185154547	-2.5352063632	 1.2522227935	 0.127316
+H	-3.8497949528	 0.8733991124	 2.2641244373	 0.093236
+H	-2.0858730183	 2.9396610577	 2.3285824095	 0.102749
+H	 0.3286947615	 1.9587648694	 2.1225413974	 0.112525
+H	-0.1757103905	-0.6487004894	 2.6058454073	 0.069574
+H	 0.09299614	-1.5321072174	 0.2891008973	 0.087051
+H	-0.2054079727	 0.090369165	-0.3544647699	 0.134221
+H	 1.9779376403	-0.6376691515	 1.270656882	 0.281205
+19
+0 5623	2.4296615	1.6518443	1.216469	1.5009	76.43	-0.22173	0.00763	0.22936	1079.219	0.156087	-422.536822	-422.528102	-422.527158	-422.569947	33.113
+C	 1.4811064614	-0.1204296792	 0.0961771311	-0.235662
+O	 0.0728694219	-0.0109943018	 0.0504274179	-0.24753
+C	-0.470531015	 0.7426673999	 1.1190881196	 0.017548
+C	-1.9822587452	 0.6915561308	 1.0539011481	-0.115494
+C	-2.5270114065	 1.9094461175	 1.042191336	-0.073841
+C	-1.4881642385	 2.9809562765	 1.0531265987	-0.17405
+C	-0.5470793346	 2.9936031792	-0.1519764518	-0.300421
+C	-0.1592657429	 2.250550456	 1.0843328255	 0.385109
+O	 0.9595377085	 2.7233676288	 1.7729300665	-0.478798
+H	 1.8169053314	-0.5980568576	 1.0306957026	 0.098046
+H	 1.7794709976	-0.7468365592	-0.7480093531	 0.121783
+H	 1.9764817158	 0.8556289945	 0.0153638831	 0.126826
+H	-0.0916511717	 0.3255778215	 2.073553183	 0.053926
+H	-2.5115622025	-0.2513140363	 0.9942794219	 0.103818
+H	-3.5900962567	 2.1193086994	 0.9952911363	 0.100801
+H	-1.6364737342	 3.9083576951	 1.5945427828	 0.091585
+H	-0.827106095	 2.4306096499	-1.0353517878	 0.126747
+H	-0.003032647	 3.9155383644	-0.3260767787	 0.11905
+H	 0.8162130832	 2.5750950305	 2.7144312583	 0.280557
+19
+0 5624	2.4412857	1.6462207	1.1856601	2.4017	76.12	-0.24009	-0.00646	0.23363	1100.368	0.155329	-422.529949	-422.52101	-422.520066	-422.563813	32.904
+C	 1.4741063014	-0.175013233	 0.1012212133	-0.234943
+O	 0.09204965	 0.0820152039	-0.002556955	-0.241883
+C	-0.473813925	 0.7678436498	 1.0951867393	 0.040043
+C	-1.9846309613	 0.7241124482	 0.9566467383	-0.113163
+C	-2.5354306365	 1.9360533411	 0.9997987161	-0.082653
+C	-1.4693416861	 2.977085117	 1.1316106871	-0.06548
+O	-0.5594717573	 3.0008750403	 0.0072253044	-0.29057
+C	-0.171344618	 2.2864120656	 1.1865484304	 0.380468
+C	 1.0307693372	 2.8074133193	 1.9286811284	-0.497833
+H	 1.7288847443	-0.6525065992	 1.0608859854	 0.100204
+H	 1.7330205718	-0.8586338931	-0.7113129198	 0.129569
+H	 2.0800335896	 0.7351554198	-0.0060929244	 0.114976
+H	-0.1487810289	 0.2832510841	 2.0347738486	 0.065418
+H	-2.4989392572	-0.2138965096	 0.7850365235	 0.111165
+H	-3.5906073193	 2.1644326353	 0.913624608	 0.107489
+H	-1.6490574095	 3.9395666104	 1.6026066201	 0.093689
+H	 1.0833153086	 2.376133396	 2.9340576375	 0.121977
+H	 1.9606652262	 2.5574056089	 1.4082216757	 0.131285
+H	 0.98083473	 3.8956631252	 2.0194695931	 0.130242
+19
+0 5625	2.5277906	1.5684471	1.1681998	2.338	75.82	-0.23266	0.00913	0.24179	1088.7177	0.157248	-422.55325	-422.544861	-422.543916	-422.585818	32.941
+O	 1.7260939325	 0.8933920585	-0.0090874513	-0.432295
+C	 0.7415531986	 0.1043018231	 0.6346948433	-0.061146
+C	-0.3433316437	 0.9793260241	 1.2740084024	-0.119389
+C	-1.4249966229	 0.2821989527	 2.0707521322	-0.113959
+C	-2.6513113867	 0.6851189534	 1.7211915788	-0.077763
+C	-2.6193227119	 1.6414345753	 0.5777733998	-0.171775
+C	-2.0425999919	 1.0567574456	-0.7116101548	-0.309102
+C	-1.141916725	 1.7790826584	 0.2375953532	 0.385437
+O	-0.5513429422	 2.9400182076	-0.2778229007	-0.474516
+H	 1.2654798335	 1.569501199	-0.5216754186	 0.290549
+H	 0.2759516335	-0.6111384286	-0.0621019442	 0.087159
+H	 1.2635343421	-0.479504782	 1.4012032384	 0.099891
+H	 0.1909509675	 1.6919017331	 1.925988068	 0.077602
+H	-1.1979615555	-0.4392117048	 2.8474181448	 0.098529
+H	-3.5745225488	 0.3472867838	 2.1787622301	 0.10039
+H	-3.3184272604	 2.4665272268	 0.5035319586	 0.093661
+H	-1.9903435234	-0.0222609397	-0.8094352284	 0.118204
+H	-2.2614616585	 1.6002750323	-1.6245679832	 0.123496
+H	-0.3595725669	 3.5318126812	 0.4594695916	 0.285026
+19
+0 5626	3.3092382	1.3641449	1.1738666	0.9429	75.92	-0.22702	-0.00034	0.22668	1108.6035	0.157757	-422.525859	-422.517845	-422.516901	-422.5587	30.451
+C	 1.445845962	-0.2204110401	 0.040739878	-0.237677
+O	 0.0957513096	 0.1852038936	-0.0327283027	-0.254651
+C	-0.3802003895	 0.8548127982	 1.1267508243	 0.08686
+C	-1.88934051	 0.7216982904	 1.161099616	-0.089019
+C	-2.6302965332	 1.8253290115	 1.2410781165	-0.058056
+C	-1.8665415144	 3.1319841837	 1.2869200757	 0.040555
+C	-0.8486007336	 3.1596414429	 0.1168891242	-0.239355
+C	-0.0133710692	 2.3566336374	 1.1318391167	 0.054979
+O	-0.7478437115	 2.9799135537	 2.2221108689	-0.296528
+H	 1.6238898383	-0.8797657134	 0.904191359	 0.107899
+H	 1.664147604	-0.7737972391	-0.8759319828	 0.12909
+H	 2.1416471716	 0.6284204431	 0.1081037325	 0.108629
+H	 0.0522484756	 0.3860061613	 2.0271000658	 0.077346
+H	-2.3049786968	-0.2793171883	 1.1074748002	 0.101647
+H	-3.7149360083	 1.8139631163	 1.2562704685	 0.096667
+H	-2.4749278869	 4.0105910777	 1.5078332078	 0.077201
+H	-1.1278307892	 2.6866552389	-0.8244586689	 0.115151
+H	-0.429816487	 4.1543476743	-0.043853983	 0.105378
+H	 1.0634701886	 2.532439568	 1.1968705834	 0.073883
+19
+0 5627	3.1799238	1.3602335	1.1562911	1.5668	75.12	-0.23659	-0.00108	0.23551	1105.0204	0.158441	-422.542306	-422.534357	-422.533412	-422.574806	30.794
+O	 1.4633303333	 0.7621946675	 0.1399800203	-0.42705
+C	 0.4902899083	-0.1530011817	 0.6256980492	-0.083492
+C	-0.3903384239	 0.4525905281	 1.7351688541	-0.039191
+C	-1.506370156	-0.5008867643	 2.1198661187	-0.089585
+C	-1.5646099761	-0.9592076734	 3.370440957	-0.062466
+C	-0.4960431648	-0.4474109748	 4.3153170096	 0.045051
+C	-0.4440206953	 1.0976990992	 4.2240752296	-0.25108
+C	 0.4330317179	 0.7634021482	 2.9991176169	 0.071651
+O	 0.7965980294	-0.50272439	 3.6290514564	-0.300985
+H	 2.2350853525	 0.7072201461	 0.7098813589	 0.290016
+H	-0.1374868479	-0.421548016	-0.2312173265	 0.104062
+H	 0.9523528532	-1.0738871844	 1.0039034243	 0.112834
+H	-0.8097462788	 1.3892593879	 1.3412029169	 0.086066
+H	-2.2156393011	-0.8051959483	 1.3547327141	 0.09522
+H	-2.3350007841	-1.637578489	 3.7211645121	 0.094305
+H	-0.4690498237	-0.9421774507	 5.2876786079	 0.076821
+H	-1.3805731235	 1.6386421907	 4.0795290342	 0.103318
+H	 0.1479055544	 1.5408768566	 5.0267651439	 0.108174
+H	 1.3041916159	 1.3898490084	 2.7879229026	 0.066331
+19
+0 5628	3.1513209	1.3279802	1.0522789	0.7939	77.31	-0.23921	0.00931	0.24852000000000002	1176.7206	0.157575	-422.532902	-422.524706	-422.523761	-422.565988	30.409
+C	 1.4021419604	-0.1788475471	-0.0630806846	-0.238319
+O	 0.0386092916	 0.1835610069	-0.0829001059	-0.249447
+C	-0.4182887811	 0.747054779	 1.1368956031	 0.071562
+C	-1.925409597	 0.6910719881	 1.1783264654	-0.091353
+C	-2.4885398991	 1.8993028044	 1.2217581079	-0.081522
+C	-1.477907837	 3.0081101923	 1.2468723534	-0.122874
+C	-1.0489625267	 3.5109052565	 2.6503286037	-0.076405
+O	 0.1126158207	 2.6573836185	 2.6448675508	-0.290702
+C	-0.1216574163	 2.2565461336	 1.2757096804	 0.085534
+H	 1.6094083316	-0.932551474	 0.7123589488	 0.107413
+H	 1.6374319022	-0.6031884575	-1.0421955301	 0.12687
+H	 2.0634886786	 0.6825332274	 0.1141115401	 0.108326
+H	 0.0374245424	 0.2173860939	 1.9897940394	 0.080841
+H	-2.4557277815	-0.2539330925	 1.1599376344	 0.102639
+H	-3.5570846705	 2.0843609156	 1.2596686852	 0.099972
+H	-1.6454932206	 3.7863728585	 0.4992919871	 0.085045
+H	-0.7708855502	 4.5722006442	 2.6836492783	 0.098427
+H	-1.7257448476	 3.2858532875	 3.4825416527	 0.103884
+H	 0.6749818699	 2.5921967746	 0.60336275	 0.080111
+19
+0 5629	3.2397796	1.2811979	1.0301622	1.7049	76.63	-0.24497	0.00196	0.24692999999999998	1187.531	0.157531	-422.531198	-422.522984	-422.52204	-422.564414	30.414
+C	 1.3859498027	-0.059150378	-0.1799070653	-0.237836
+O	 0.0290203748	-0.2541871424	 0.1463023137	-0.249318
+C	-0.430967878	 0.5801898928	 1.1999132192	 0.081169
+C	-1.9422933713	 0.5815501106	 1.1965691261	-0.089778
+C	-2.4694355002	 0.0688935158	 2.3080562319	-0.081925
+C	-1.4113295609	-0.357595615	 3.2855408002	 0.0913
+O	-1.1995078976	 0.5872906452	 4.3734576816	-0.296862
+C	 0.0115218277	 1.0753800741	 3.7610221071	-0.086171
+C	-0.079867293	 0.0523627842	 2.6082007811	-0.113295
+H	 2.0587850063	-0.3003334718	 0.6575011337	 0.103236
+H	 1.6174278076	-0.726074876	-1.0139136359	 0.12914
+H	 1.5845198179	 0.9795256805	-0.488383719	 0.105009
+H	-0.0293913702	 1.597507199	 1.0464992903	 0.065658
+H	-2.4980391345	 0.9604153886	 0.346153898	 0.106202
+H	-3.5294346947	-0.0186171757	 2.5186479785	 0.105825
+H	-1.5406396684	-1.3722935229	 3.6770635652	 0.080934
+H	-0.0715941247	 2.1281553217	 3.4575414181	 0.097318
+H	 0.8732482029	 0.9655847005	 4.4297103892	 0.101816
+H	 0.7156715435	-0.6915377211	 2.5823819765	 0.087576
+19
+0 5630	3.0254287	1.3106881	1.0395603	2.8538	76.53	-0.23912	0.01506	0.25418	1177.5678	0.158053	-422.546895	-422.538696	-422.537752	-422.579908	30.769
+O	 1.6355295229	 0.5356985009	 0.0085885665	-0.418102
+C	 0.26849713	 0.2035518928	-0.1800523412	-0.093022
+C	 0.0029269289	 0.1485600635	-1.6854331186	-0.042128
+C	-1.4515591488	-0.1243255723	-2.0066366092	-0.090579
+C	-1.6412606715	-1.2956577012	-2.6166846165	-0.088283
+C	-0.3509014815	-2.0188780526	-2.8833416239	-0.124936
+C	 0.2758694481	-1.7640513597	-4.2761074859	-0.075702
+O	 1.0997717631	-0.704342737	-3.7523549576	-0.293606
+C	 0.726244403	-1.0133446387	-2.3887210392	 0.119355
+H	 1.829819583	 0.4980304452	 0.9495055777	 0.287997
+H	 0.0254306503	-0.7720812216	 0.2718531588	 0.085894
+H	-0.3948398025	 0.9510477997	 0.2837422491	 0.085761
+H	 0.3520285144	 1.0941303284	-2.1195759818	 0.103186
+H	-2.2411788393	 0.5719785032	-1.7426442484	 0.094147
+H	-2.6047761974	-1.6864982977	-2.9268164237	 0.095615
+H	-0.3295102282	-3.0529419255	-2.5312709597	 0.078074
+H	 0.8792203228	-2.5986964579	-4.6586387288	 0.093837
+H	-0.3992058592	-1.4139677706	-5.0658612771	 0.100589
+H	 1.5786266919	-1.3943524489	-1.8180978405	 0.081904
+19
+0 5631	3.1178639	1.2392367	1.0004849	0.8681	75.69	-0.24344	0.00365	0.24708999999999998	1200.0693	0.158148	-422.545124	-422.536907	-422.535962	-422.578271	30.791
+O	 1.297628201	 0.6369630794	-0.0862536011	-0.419357
+C	 0.3216857101	-0.1313925951	 0.5966307389	-0.081563
+C	-0.9369902858	 0.6772928345	 0.9574072949	-0.057875
+C	-2.0322268589	-0.1977140088	 1.5326626659	-0.083331
+C	-2.3246388267	 0.0784691084	 2.8043482284	-0.093457
+C	-1.5210649588	 1.2406871286	 3.3186656542	 0.092497
+O	-2.2592653706	 2.4923999716	 3.359983976	-0.295266
+C	-1.6298673817	 2.942804685	 2.1410819597	-0.088926
+C	-0.7053485137	 1.7067630514	 2.0833859283	-0.090628
+H	 1.6447474046	 1.2931078744	 0.5259181362	 0.284444
+H	 0.0525118744	-0.9427224007	-0.0879853034	 0.109737
+H	 0.7338766405	-0.5966381772	 1.5063705018	 0.089499
+H	-1.2656748209	 1.1708595864	 0.0323383423	 0.088129
+H	-2.5002324809	-0.9807980009	 0.9438386663	 0.101178
+H	-3.0680618438	-0.4319446253	 3.4060183444	 0.104089
+H	-1.0199645218	 1.0586589698	 4.2758157434	 0.077767
+H	-2.3431514881	 3.0202569094	 1.3098743246	 0.101466
+H	-1.1352202016	 3.9113599736	 2.2782908702	 0.102146
+H	 0.3476302329	 1.9369371254	 2.261195919	 0.05945
+19
+0 5632	2.1877948	1.7877858	1.1418201	2.0169	77.03	-0.23811	0.00993	0.24803999999999998	1111.744	0.156272	-422.528026	-422.519397	-422.518453	-422.561654	31.978
+C	 1.4213287989	-0.1508929101	-0.1942580293	-0.239858
+O	 0.0615522973	-0.2925776092	 0.1746658124	-0.246684
+C	-0.3588315336	 0.5857956224	 1.2071252016	-0.02424
+C	-1.8641762667	 0.6613699748	 1.1825632175	-0.08539
+C	-2.4197295932	 0.0281567153	 2.2150741661	-0.063674
+C	-1.3991081398	-0.5652133096	 3.1527044297	-0.352458
+C	-0.0952107612	 0.038946554	 2.6289357852	 0.451804
+C	 0.9124255231	 0.6300564878	 3.5190041439	-0.250824
+O	 1.1323206432	-0.6355094062	 2.8850358117	-0.272
+H	 2.0972807785	-0.414895217	 0.6258869406	 0.131552
+H	 1.5917793304	-0.828500218	-1.0348229631	 0.122904
+H	 1.641178425	 0.8777656778	-0.5228554297	 0.094998
+H	 0.1218823599	 1.5667907208	 1.0626123138	 0.063581
+H	-2.3951212229	 1.1350571037	 0.3658631726	 0.102061
+H	-3.4865067888	-0.0749924401	 2.3806617822	 0.101284
+H	-1.5821603919	-0.3142900689	 4.2034699338	 0.109916
+H	-1.3773454976	-1.6607784924	 3.0870850759	 0.131735
+H	 1.5412275789	 1.4459723004	 3.1632285623	 0.111797
+H	 0.7698142605	 0.5908706445	 4.5983342726	 0.113495
+19
+0 5633	2.3872294	1.6932402	1.1175231	2.6096	75.91	-0.24238	0.0151	0.25748	1102.6557	0.157535	-422.548238	-422.539992	-422.539048	-422.581324	31.636
+O	 1.1190033825	 0.480735407	-0.659573846	-0.431293
+C	-0.0591487077	 0.033575461	-0.0191903084	-0.062071
+C	-1.1840432267	-0.2980360684	-1.0214089461	-0.158869
+C	-2.4554130829	-0.764354198	-0.3553237554	-0.076298
+C	-3.5094009632	-0.0037306156	-0.6477415291	-0.079309
+C	-3.1694517462	 1.1149806781	-1.5986390992	-0.341212
+C	-1.6634817635	 0.9310397165	-1.8234264158	 0.415493
+C	-0.969413817	 1.4237838315	-3.0160947817	-0.243294
+O	-0.8530024413	 2.1265576734	-1.7678082353	-0.283914
+H	 0.8893020512	 1.3444653329	-1.0273524777	 0.293515
+H	 0.2041669517	-0.8731239646	 0.5366903531	 0.10276
+H	-0.4292093644	 0.7702127132	 0.7098558502	 0.092446
+H	-0.7869274619	-1.0621690352	-1.7033003189	 0.090444
+H	-2.4723158167	-1.6265146789	 0.3027288886	 0.098765
+H	-4.5138048488	-0.1559076754	-0.269075817	 0.09924
+H	-3.7354285894	 1.0455178157	-2.5366774196	 0.114095
+H	-3.3739118079	 2.1092032578	-1.1828426959	 0.127957
+H	-0.0602219606	 0.9257951972	-3.3495554153	 0.124856
+H	-1.5250918371	 1.9536859117	-3.7884918104	 0.116689
+19
+0 5634	1.9566609	1.6577687	1.0186775	1.8912	77.51	-0.24167	-0.02481	0.21686	1200.4872	0.155521	-422.563091	-422.55379	-422.552846	-422.598525	32.595
+C	 1.5499047321	-0.1178312573	 0.0029362549	-0.236677
+O	 0.170374476	 0.1705855125	-0.085218113	-0.255473
+C	-0.3659145315	 0.779944216	 1.0780763168	 0.089582
+C	-1.8669165916	 0.6683589715	 1.0656525966	-0.094128
+C	-2.4720784985	 1.8377016826	 1.2503522352	-0.065999
+C	-1.5041614605	 2.9814160545	 1.4166889858	-0.296704
+C	-0.1181631733	 2.3146819109	 1.1414104248	-0.105523
+C	 0.9315336166	 2.7614137245	 2.1317784522	 0.142192
+O	 1.6204715136	 2.0296715289	 2.7973170056	-0.247364
+H	 1.7737292603	-0.7777881371	 0.8540040664	 0.113561
+H	 1.8300887853	-0.6229601741	-0.9247440046	 0.123036
+H	 2.1627826292	 0.789107668	 0.1102876504	 0.10638
+H	 0.0657204675	 0.2936163676	 1.9667419212	 0.093145
+H	-2.3547855277	-0.2906075561	 0.9382722463	 0.105495
+H	-3.5449718076	 1.9852769904	 1.3095788545	 0.10199
+H	-1.7143841085	 3.8141515327	 0.7361344452	 0.116764
+H	-1.5583019792	 3.3979914189	 2.4322673365	 0.116299
+H	 0.2299317437	 2.6340519966	 0.1500733525	 0.114093
+H	 1.0350309238	 3.8684147992	 2.2180518029	 0.079329
+19
+0 5635	1.9657728	1.5236646	0.9516754	3.9157	77.23	-0.24262	-0.01205	0.23057	1243.0925	0.156329	-422.578657	-422.56949	-422.568546	-422.613656	32.792
+O	-1.143379455	 0.6784597265	 1.033064844	-0.420383
+C	-0.4458006519	-0.093303836	 0.0642922834	-0.092891
+C	-0.4762178425	 0.6864348026	-1.2477794159	-0.039111
+C	 0.249482335	 0.001420253	-2.3811223057	-0.088679
+C	 1.1694586184	 0.7751048262	-2.951617654	-0.06928
+C	 1.2441939557	 2.1473458533	-2.3348468168	-0.286076
+C	 0.2513859456	 2.0751093309	-1.1495873707	-0.086338
+C	-0.7536064857	 3.2075654605	-1.101514097	 0.139077
+O	-0.8189225827	 4.1158318488	-1.8914822563	-0.251157
+H	-1.0848448502	 0.2318655926	 1.8825199086	 0.291021
+H	 0.6003882565	-0.2642823801	 0.3641328491	 0.090625
+H	-0.9180830949	-1.0783730874	-0.0756580731	 0.089437
+H	-1.5383015907	 0.822385357	-1.5018620323	 0.092827
+H	 0.0033273105	-1.010615637	-2.685467152	 0.093821
+H	 1.7890942752	 0.4837786836	-3.7930312819	 0.097329
+H	 2.2593198045	 2.4045456033	-2.0110491328	 0.10523
+H	 0.9367311436	 2.9299957496	-3.03885938	 0.136095
+H	 0.7758092031	 2.1073631827	-0.1862747369	 0.100103
+H	-1.4668383846	 3.1294547998	-0.2525865596	 0.09835
+19
+0 5636	2.5903381	1.4928618	1.2536284	2.3673	75.66	-0.24784	0.00961	0.25745	1082.4339	0.157431	-422.535208	-422.526859	-422.525915	-422.568322	31.208
+C	 1.4245232666	-0.1817285408	-0.1706889562	-0.239599
+O	 0.0276822365	-0.0174461617	-0.0137822778	-0.250283
+C	-0.3849537961	 0.6301858149	 1.1907391088	 0.039685
+C	 0.0249654141	-0.1303730552	 2.4260141186	-0.086714
+C	 0.8240619672	 0.3446372675	 3.3786813202	-0.041582
+C	 1.4434145987	 1.7158839707	 3.374356143	-0.298135
+C	 0.9298816415	 2.6122889833	 2.2711652189	 0.057886
+O	-0.4772294533	 2.8754036145	 2.2720694934	-0.262129
+C	 0.058255713	 2.0841682762	 1.2105167847	 0.014801
+H	 1.8678931313	-0.7683365626	 0.6447518649	 0.111717
+H	 1.568522176	-0.716357501	-1.1125949157	 0.128099
+H	 1.9538801094	 0.7803267986	-0.2304152824	 0.103778
+H	-1.4805016689	 0.6225928145	 1.1165655697	 0.101851
+H	-0.3729225202	-1.1390694293	 2.5013434172	 0.096976
+H	 1.0618442471	-0.2807223213	 4.2362213339	 0.094865
+H	 1.2772765595	 2.2053944343	 4.3440418828	 0.124485
+H	 2.5352419849	 1.6261322235	 3.2768296381	 0.116107
+H	 1.5409804273	 3.4887315121	 2.0530925185	 0.091243
+H	 0.0499997951	 2.5631914818	 0.2307862594	 0.096951
+19
+0 5637	2.4999231	1.5061117	1.2946386	1.4527	75.82	-0.25234	0.01255	0.26489	1068.5166	0.158127	-422.553731	-422.545556	-422.544612	-422.586683	31.172
+O	 1.1761668905	 0.6441258541	-0.630045565	-0.421152
+C	 0.0348485176	 0.3321800775	 0.1450727799	-0.075355
+C	-1.2848768481	 0.6921645133	-0.5734103042	-0.106686
+C	-1.3514249465	 2.1798315493	-0.8068036985	-0.079736
+C	-1.2280922573	 2.7668107283	-1.9972917312	-0.056615
+C	-1.0766787258	 2.0272906082	-3.2987918685	-0.294798
+C	-1.3106051449	 0.5391199823	-3.1737087406	 0.056311
+O	-2.5815674472	 0.1386437831	-2.6493157424	-0.27295
+C	-1.4144451614	-0.1030117795	-1.8582102288	 0.078181
+H	 1.1047150797	 1.5758735783	-0.8700726053	 0.281796
+H	 0.0775150781	-0.7470657835	 0.328391164	 0.110093
+H	 0.0601263216	 0.8333206042	 1.1258544294	 0.088216
+H	-2.1039040696	 0.3964379307	 0.0995376099	 0.090833
+H	-1.4736420496	 2.795560105	 0.0820249218	 0.091557
+H	-1.2622805369	 3.8518042573	-2.0624584022	 0.093267
+H	-1.7691922556	 2.4422864144	-4.0442769644	 0.121857
+H	-0.0709387215	 2.1907882531	-3.712240794	 0.116902
+H	-0.9709551725	-0.0604768686	-4.0185425449	 0.089741
+H	-1.1435220205	-1.1566323976	-1.7745944751	 0.088537
+19
+0 5638	2.5909934	1.4192577	1.0410429	4.0556	77.98	-0.25459	0.00481	0.25939999999999996	1194.9448	0.157144	-422.597512	-422.588564	-422.58762	-422.632103	32.259
+C	 1.1626932704	 0.9753236048	 0.1692893935	-0.387093
+C	 1.192227939	-0.5400225175	-0.0392592495	-0.177052
+C	 1.916428216	-1.0041407524	-1.338622693	-0.184185
+C	 1.6239358968	-2.449898517	-1.6182825894	-0.074751
+C	 2.5312593321	-3.3992574084	-1.4332455341	-0.088578
+C	 3.921129869	-3.0892456683	-0.9853193942	-0.10782
+O	 4.283102817	-1.7053241893	-1.0344838326	-0.232102
+C	 3.4069017828	-0.6961642559	-1.2546373165	 0.41423
+O	 3.8401004963	 0.4217428935	-1.3521052851	-0.329097
+H	 0.641935084	 1.2204260841	 1.1002371915	 0.109317
+H	 2.1706589558	 1.3921855073	 0.2120253756	 0.152332
+H	 0.6343129831	 1.4728603835	-0.6512069544	 0.114999
+H	 1.6614199123	-1.0372609673	 0.8187417941	 0.105566
+H	 0.1668425044	-0.9268279386	-0.0872641516	 0.100361
+H	 1.5405746436	-0.379201893	-2.1579867369	 0.114282
+H	 0.6158899796	-2.6952690839	-1.9421044295	 0.102382
+H	 2.3061283262	-4.4490894223	-1.5959117215	 0.105519
+H	 4.0862035288	-3.4384816172	 0.0443462886	 0.128916
+H	 4.6545700428	-3.6111954723	-1.612585365	 0.132774
+19
+0 5639	2.5580431	1.4339096	1.0723961	1.8556	78.38	-0.22878	-0.02185	0.20693	1177.4723	0.156825	-422.572547	-422.563588	-422.562644	-422.606761	32.407
+C	 1.510532293	 0.0958428598	-0.050297858	-0.243019
+O	 0.1445504542	-0.2096874479	 0.1764364114	-0.260279
+C	-0.4633479068	 0.5855388395	 1.1986724433	-0.002477
+C	-1.9514044826	 0.5544529353	 0.997172553	-0.074284
+C	-2.7967711425	-0.0261908044	 1.8479823802	-0.052475
+C	-2.3694209029	-0.7573448483	 3.0917808119	-0.268137
+C	-0.8784379915	-1.1468914872	 3.0450367912	-0.304819
+C	-0.0398992811	 0.0175121522	 2.562640565	 0.384266
+O	 0.9215900098	 0.4502803055	 3.1560784068	-0.324163
+H	 2.1247608021	-0.0549164924	 0.8462167848	 0.130693
+H	 1.8538242541	-0.5757714328	-0.8406979518	 0.126906
+H	 1.6354412721	 1.1369233146	-0.3835221281	 0.108799
+H	-0.0853763014	 1.6175761937	 1.136016753	 0.084991
+H	-2.3178805973	 1.0476725125	 0.1011095574	 0.099759
+H	-3.8652206796	 0.0173125237	 1.6501527916	 0.097485
+H	-2.5643112949	-0.1322705186	 3.9747127445	 0.126852
+H	-2.9842863219	-1.654736653	 3.2258489978	 0.115547
+H	-0.5071519532	-1.4875837319	 4.0134868377	 0.116517
+H	-0.7513645496	-1.9547783104	 2.3131346683	 0.137839
+19
+0 5640	2.3875397	1.3817376	0.9486955	2.3998	77.41	-0.23937	-0.01701	0.22236	1244.3959	0.157177	-422.588252	-422.579282	-422.578338	-422.622559	32.762
+O	-2.1118183903	-0.7742140485	 0.0954598669	-0.420628
+C	-0.9082448655	-0.0623542118	-0.1433017232	-0.083316
+C	-0.589282456	 0.74497475	 1.1291060408	-0.137998
+C	-0.4063230993	-0.1315362232	 2.3407092572	-0.045166
+C	 0.5998386727	-0.0074639134	 3.2042580117	-0.081664
+C	 1.7067105247	 0.9992609277	 3.0344300327	-0.266877
+C	 1.8978727976	 1.3718279379	 1.5542193091	-0.303791
+C	 0.5902525532	 1.6833236733	 0.8483341522	 0.370274
+O	 0.4774112621	 2.5993353077	 0.0660766911	-0.322309
+H	-2.2960548366	-1.3213056065	-0.6735060858	 0.290503
+H	-0.0761163367	-0.7495288804	-0.3655070929	 0.087415
+H	-1.0095051272	 0.6391706832	-0.9822411536	 0.113048
+H	-1.4628828093	 1.3947883813	 1.2825214184	 0.122099
+H	-1.1823454114	-0.8744387812	 2.496658428	 0.109036
+H	 0.6396214819	-0.6495768033	 4.0803580156	 0.091222
+H	 1.4898604807	 1.9021187582	 3.6233568953	 0.12196
+H	 2.6464455234	 0.6046088988	 3.4363295133	 0.110535
+H	 2.5782152431	 2.2147358935	 1.4132216999	 0.120017
+H	 2.3295258629	 0.5039070868	 1.0343054033	 0.12564
+19
+0 5641	3.2416667	1.0174933	0.8043807	4.7652	76.5	-0.23033	-0.08613	0.1442	1416.0649	0.155682	-422.599924	-422.590803	-422.589859	-422.634256	33.234
+C	 3.3587571386	-0.9452597032	 0.790990243	-0.390233
+C	 3.0900194389	-0.3904466498	-0.6111838907	-0.183459
+C	 1.6952313834	-0.7143916135	-1.1533311591	 0.006481
+C	 1.3991674099	-0.0690895834	-2.5278376292	-0.352601
+C	 0.2724721112	-0.8945899658	-3.1255076687	 0.312367
+O	-0.5074105812	-0.590759993	-3.9862215498	-0.278774
+C	 0.2851483671	-2.2729398153	-2.3895606172	 0.315008
+O	-0.4803760374	-3.1701494184	-2.6131938676	-0.278463
+C	 1.4149479692	-2.2210353789	-1.3728936132	-0.343128
+H	 3.3042968521	-2.0384203986	 0.8114083618	 0.122644
+H	 4.3547284081	-0.6583931465	 1.1407206903	 0.12016
+H	 2.6297377805	-0.5625408339	 1.5138077814	 0.11948
+H	 3.2173157506	 0.6996033744	-0.6014694106	 0.102119
+H	 3.840767812	-0.7778028122	-1.3141009334	 0.096753
+H	 0.9509546458	-0.3370015185	-0.4382748583	 0.089776
+H	 1.149488454	 0.9934963629	-2.4888060089	 0.136168
+H	 2.2735647504	-0.1739872633	-3.187959267	 0.133905
+H	 1.1664999487	-2.7828117394	-0.4705700722	 0.138215
+H	 2.2929032382	-2.7051099834	-1.8273034206	 0.133581
+19
+0 5642	3.2010268	1.0305702	0.8325306	3.8851	79.62	-0.2365	-0.04092	0.19557999999999998	1389.1636	0.156043	-422.599393	-422.58991	-422.588966	-422.634328	33.925
+C	 1.3156566693	 0.7171569526	-0.6531285572	-0.492296
+C	 0.0595043002	 0.1158021487	-0.1147411203	 0.206749
+C	-0.2130143313	-1.1577793767	 0.2013107	-0.174256
+C	-1.622213775	-1.3814581851	 0.7019028424	-0.07261
+C	-2.3917534208	-2.3805699963	-0.1795258958	-0.066344
+O	-3.7332625468	-2.5618075996	 0.236551947	-0.411647
+C	-2.237547095	 0.032584069	 0.7053985663	-0.345547
+C	-1.1408740248	 0.9541115627	 0.1607914719	 0.329274
+O	-1.2232195022	 2.1491188716	-0.0098318266	-0.327571
+H	 1.6895646784	 1.4933573841	 0.0234145986	 0.143963
+H	 2.0985167074	-0.0313260886	-0.7977330472	 0.119856
+H	 1.1225260004	 1.2148687432	-1.6096943626	 0.144739
+H	 0.4874478837	-1.9821731553	 0.0987154687	 0.105097
+H	-1.5900713094	-1.8021328089	 1.718567339	 0.076872
+H	-2.4473765107	-1.9950808913	-1.2035593031	 0.11743
+H	-1.8479427917	-3.337940206	-0.2188188874	 0.088634
+H	-3.7231088614	-2.9523310437	 1.1165200534	 0.28348
+H	-3.1348670355	 0.0973525313	 0.0832468992	 0.144508
+H	-2.5286979048	 0.3709647581	 1.7042297635	 0.129669
+19
+0 5643	3.2743198	1.1086435	0.8826144	4.3874	79.45	-0.26432	-0.03398	0.23034	1357.3137	0.156135	-422.619458	-422.610169	-422.609225	-422.653823	33.34
+C	 1.4213959636	-0.4839139698	 1.1316113328	-0.385446
+C	 1.0953827814	 0.081034328	-0.2528530673	-0.18267
+C	 1.6421662029	-0.7820889728	-1.3942709243	 0.069118
+O	 3.0743471314	-0.8582300584	-1.3157653256	-0.235768
+C	 3.6310737818	-0.4149453943	-2.4861512542	 0.384504
+O	 4.8159565292	-0.3751607201	-2.6704471392	-0.349121
+C	 2.5276361869	-0.0236137283	-3.4080445782	 0.164564
+C	 2.819850933	 0.5060524116	-4.7708093292	-0.488561
+C	 1.3764156023	-0.2445604412	-2.7717590471	-0.214901
+H	 0.9851028704	-1.4799671625	 1.2652713334	 0.115971
+H	 2.5022211751	-0.5688896693	 1.2695665576	 0.144976
+H	 1.0247750092	 0.1633332024	 1.9189963971	 0.116733
+H	 0.0090682749	 0.161841414	-0.3851799164	 0.101631
+H	 1.5049175895	 1.0919596535	-0.3613234518	 0.11094
+H	 1.2562485479	-1.8070334497	-1.2887333761	 0.104992
+H	 3.3900859334	-0.2262488059	-5.3523536044	 0.149212
+H	 1.9045571023	 0.7518324984	-5.3139223946	 0.124683
+H	 3.4452239944	 1.4029154876	-4.7076714916	 0.149162
+H	 0.3743891505	-0.0701033032	-3.144467411	 0.119983
+19
+0 5644	3.3857305	1.0465018	0.8348894	2.6902	80.33	-0.23793	-0.04349	0.19444	1395.5802	0.155398	-422.585178	-422.575681	-422.574736	-422.620018	33.66
+C	 1.5001463419	 0.080955697	-0.1453524044	-0.234406
+O	 0.118852634	-0.1091977516	 0.0675523854	-0.248322
+C	-0.3742814055	 0.5543353471	 1.2165903049	 0.087758
+C	-0.0244234119	-0.1188823026	 2.5623998138	-0.360769
+C	-1.3669817813	-0.2510356924	 3.2907080205	 0.327848
+O	-1.5301717445	-0.5762407184	 4.4437142553	-0.323467
+C	-2.4426099845	 0.1041032024	 2.3220320377	 0.207513
+C	-3.88414194	-0.0205007586	 2.6896386929	-0.492274
+C	-1.8828254633	 0.5282922903	 1.1821975763	-0.18591
+H	 2.1088125313	-0.3417313665	 0.667744284	 0.10973
+H	 1.7563245227	-0.4302667457	-1.0761631614	 0.130703
+H	 1.7515664608	 1.1488511392	-0.2440406949	 0.105867
+H	-0.018144505	 1.5997412315	 1.2046600978	 0.078822
+H	 0.3735589455	-1.1221001039	 2.3755019842	 0.142521
+H	 0.6989521602	 0.4199664338	 3.1786020872	 0.124984
+H	-4.0918524136	 0.5408719257	 3.6068474204	 0.146124
+H	-4.5409700127	 0.3403414817	 1.8948176796	 0.123314
+H	-4.1363422608	-1.0642938316	 2.9066800368	 0.144687
+H	-2.4150260732	 0.8459406526	 0.291775774	 0.115276
+19
+0 5645	2.5591365	1.241374	0.9203521	3.5662	76.91	-0.24207	-0.03749	0.20458	1299.8107	0.154807	-422.539284	-422.530102	-422.529158	-422.573613	33.351
+C	 3.0932600845	-1.2824388765	 0.9909957357	-0.383382
+C	 2.014710275	-0.5640962698	 0.1737632402	-0.201399
+C	 2.1419989831	-0.8017722828	-1.327150399	-0.079426
+C	 1.8043544623	-2.2273321985	-1.8824026016	-0.380393
+C	 0.9069680662	-1.5672802287	-2.9516346884	 0.337783
+O	 0.3589996766	-1.9452086975	-3.9448539223	-0.298645
+C	 1.0542736992	-0.2213981573	-2.2554319973	 0.326676
+C	-0.0187702746	 0.7506950136	-1.9787166426	-0.248222
+O	 1.0501135808	 1.0473618181	-2.8737631925	-0.259384
+H	 2.9720850905	-1.0889522982	 2.0609922987	 0.117715
+H	 3.0504042039	-2.3665145569	 0.8412353618	 0.121314
+H	 4.0953471886	-0.9475612661	 0.701974156	 0.120076
+H	 1.0196946038	-0.8889809704	 0.5057759904	 0.095799
+H	 2.0682917276	 0.5146668465	 0.3692793116	 0.106686
+H	 3.1287853169	-0.4800400484	-1.6784360358	 0.095092
+H	 2.630791162	-2.8234198932	-2.2749259222	 0.136791
+H	 1.2247833395	-2.844781685	-1.187587673	 0.132051
+H	-0.993745676	 0.611870357	-2.4428142034	 0.13511
+H	-0.00829142	 1.2943177942	-1.0355146563	 0.12576
+19
+0 5646	2.5128342	1.3152839	0.9746708	4.3101	76.53	-0.26778	0.01126	0.27904	1262.1304	0.156219	-422.574726	-422.565746	-422.564802	-422.608665	32.767
+C	 1.6771510461	-0.0802761046	 1.166626024	-0.38643
+C	 1.7545797646	 0.3372036121	-0.3051662671	-0.19396
+C	 2.2016480155	-0.792295471	-1.2108543321	 0.068676
+O	 1.2259179189	-1.9052489483	-1.2272327673	-0.279858
+C	 1.0381089371	-1.7913104583	-2.5869853904	 0.437938
+O	 0.3262724686	-2.4399366189	-3.2866517721	-0.345536
+C	 2.007554056	-0.6571135225	-2.7191223595	 0.106503
+C	 2.9809932154	-0.4349638265	-3.8435149082	-0.31814
+C	 1.8724114525	 0.5495430925	-3.607948286	-0.315547
+H	 0.9776697996	-0.9110026297	 1.2935593073	 0.14338
+H	 2.655048538	-0.403684186	 1.5396680363	 0.117215
+H	 1.3384623328	 0.7508008424	 1.7914975871	 0.117958
+H	 0.7793344704	 0.699015469	-0.6508854539	 0.110643
+H	 2.4620252229	 1.1682928991	-0.426659557	 0.102096
+H	 3.1781615294	-1.1885469993	-0.9123592545	 0.096206
+H	 3.9914645727	-0.1445654934	-3.5758527673	 0.126832
+H	 2.9069531829	-1.1047448442	-4.6933028245	 0.142128
+H	 2.1243364156	 1.5133076916	-3.17859497	 0.127546
+H	 1.0336297609	 0.5600692261	-4.2952331346	 0.14235
+19
+0 5647	2.6076296	1.3701826	1.0044731	3.3245	77.53	-0.23532	-0.01928	0.21604	1209.203	0.154866	-422.534376	-422.525123	-422.524179	-422.568842	33.399
+C	 1.4048351548	 0.1063839917	-0.2976077258	-0.244664
+O	 0.0699315916	-0.1696247257	 0.0683152779	-0.234569
+C	-0.395235292	 0.5981066675	 1.1476020291	 0.02429
+C	-1.9394357644	 0.514406592	 1.315969731	-0.391635
+C	-1.7165524225	 0.1007241384	 2.7828743795	 0.346519
+O	-2.4338655577	-0.0629243851	 3.730871187	-0.31787
+C	-0.2334042964	 0.0185248595	 2.5755518919	 0.220766
+C	 0.838847011	 0.1844985898	 3.6245428389	-0.324018
+C	 0.607137599	-1.1620483628	 3.0192707948	-0.300412
+H	 2.1185622224	-0.1218635659	 0.5075909475	 0.105466
+H	 1.6395635969	-0.5225831979	-1.159531419	 0.132375
+H	 1.5352289484	 1.1620941676	-0.5813539592	 0.110109
+H	-0.0282316433	 1.6314593646	 1.0689745242	 0.07293
+H	-2.5183154141	 1.4245846442	 1.1456484879	 0.129392
+H	-2.3591970254	-0.2996254756	 0.7170595361	 0.145745
+H	 1.7285583861	 0.7360504048	 3.3384506044	 0.120993
+H	 0.4953130835	 0.3599565077	 4.6390100819	 0.136428
+H	 1.3218979071	-1.5482092699	 2.3015849036	 0.130561
+H	 0.102251865	-1.9160843147	 3.6136585983	 0.137594
+19
+0 5648	2.5381369	1.2517102	0.9485633	3.401	77.19	-0.23572	-0.01705	0.21867	1261.0576	0.155387	-422.549121	-422.539874	-422.53893	-422.583638	33.707
+O	-0.5770362898	-1.4849980535	-2.2194499288	-0.41981
+C	-0.6131318835	-0.6223013816	-1.0932980579	-0.085004
+C	-0.3280820137	 0.7857978892	-1.5824410736	-0.096998
+C	-1.4546437894	 1.413014345	-2.4712216282	-0.360118
+C	-1.6499079431	 2.4936884268	-1.3909906724	 0.351435
+O	-2.381621645	 3.4357547152	-1.2593338517	-0.317941
+C	-0.547860581	 1.912686998	-0.5515726956	 0.221524
+C	 0.460098929	 2.7391232542	 0.2174715362	-0.307321
+C	-0.5196189863	 1.8928463854	 0.9634007148	-0.316118
+H	-0.7873852258	-2.3762225555	-1.9256465523	 0.288545
+H	-1.5981261855	-0.6469179983	-0.5985059763	 0.086992
+H	 0.137284147	-0.916173281	-0.34098717	 0.084661
+H	 0.6551918797	 0.8096381717	-2.0599802786	 0.08498
+H	-1.1308405835	 1.8083251148	-3.4375763807	 0.132337
+H	-2.3247895735	 0.7713169102	-2.6364759427	 0.134654
+H	 1.494793217	 2.4152331955	 0.1751391887	 0.123173
+H	 0.3113079991	 3.8137675232	 0.2060329909	 0.136198
+H	-0.1589541025	 0.9898791324	 1.4441168645	 0.122245
+H	-1.3482429295	 2.3814694984	 1.4650216237	 0.136565
+19
+0 5649	2.0849642	1.3364783	0.9218005	2.8004	77.7	-0.24837	-0.04134	0.20703	1302.7249	0.154036	-422.576381	-422.566693	-422.565749	-422.612167	33.958
+C	 3.1130116651	-2.2031360344	 0.9300972153	-0.378831
+C	 1.8165236716	-1.5122590092	 0.4978735403	-0.202186
+C	 1.8649959592	-0.9839956766	-0.9319145296	 0.023818
+C	 0.5512733978	-0.3612042617	-1.5035557286	-0.379111
+C	 0.6575386556	-1.3003709785	-2.7063975582	 0.390247
+O	 0.0735709203	-1.4219630817	-3.7399647649	-0.279701
+C	 1.8848058949	-2.0360965836	-2.0779421712	-0.232783
+C	 3.0986710712	-2.1223096589	-2.9661882308	 0.144604
+O	 4.0986866739	-1.4676253319	-2.8120986836	-0.240025
+H	 3.0417757325	-2.5683294874	 1.9589586387	 0.116239
+H	 3.3424100204	-3.0610913207	 0.2886831992	 0.116797
+H	 3.9635772326	-1.5163551986	 0.873227664	 0.128699
+H	 0.9719772608	-2.2085558848	 0.5993139394	 0.091938
+H	 1.6015571288	-0.6758302213	 1.175150097	 0.103966
+H	 2.7140568904	-0.3061451671	-1.0553309364	 0.105564
+H	-0.3417035142	-0.5722155574	-0.9038423907	 0.134239
+H	 0.5578335979	 0.7049458732	-1.7466423699	 0.139208
+H	 1.5871444852	-3.0506465889	-1.7809487082	 0.119725
+H	 2.996060476	-2.8295662405	-3.8168159417	 0.097595
+19
+0 5650	2.8271292	1.2312765	1.0139881	3.1893	74.83	-0.24106	-0.02851	0.21255	1231.4546	0.156703	-422.569788	-422.561239	-422.560295	-422.603378	31.837
+C	 1.9443114997	 1.7977634294	-0.4807403875	-0.391989
+C	 1.175239814	 0.4725590746	-0.4783323205	-0.183931
+C	 1.8925391009	-0.6797021805	-1.2043014406	-0.030561
+C	 1.1142245138	-2.0172437782	-1.0954341482	-0.361033
+C	 0.3002017091	-2.135602945	-2.390293406	 0.419602
+O	-0.7403571844	-2.7218932377	-2.5416867808	-0.317086
+C	 1.010582573	-1.3062669471	-3.4289077066	-0.087076
+O	 2.42587342	-1.5867990221	-3.4328309104	-0.254472
+C	 1.9742151107	-0.4464903811	-2.7121322891	 0.058411
+H	 1.4109789924	 2.5566641329	 0.0993510688	 0.121072
+H	 2.938296623	 1.677294795	-0.0361348716	 0.120905
+H	 2.0797934797	 2.1969745062	-1.4908076922	 0.12023
+H	 1.0001686054	 0.1628224032	 0.5587068368	 0.106309
+H	 0.1805399274	 0.6170721536	-0.9217627546	 0.103198
+H	 2.9046220646	-0.7794004048	-0.7947099386	 0.087471
+H	 1.7941364548	-2.8732002853	-1.0406301236	 0.141709
+H	 0.4505458929	-2.0654556585	-0.2297172346	 0.127256
+H	 0.5532768878	-1.0746903388	-4.3850664956	 0.113502
+H	 2.2835814953	 0.5121983042	-3.119446495	 0.106483
+19
+0 5651	2.7888397	1.3434242	1.0085647	4.472	75.52	-0.26042	0.01182	0.27224	1212.8222	0.15771	-422.59689	-422.58853	-422.587586	-422.63005	31.381
+C	 2.9672583899	 1.6139596649	-0.2392137398	-0.38606
+C	 1.9611648723	 0.460030574	-0.2140893084	-0.18622
+C	 2.2263137563	-0.5899065638	-1.2866289306	 0.111844
+O	 2.1459754793	 0.0178272204	-2.5973499964	-0.245452
+C	 1.5420330062	-0.8076057197	-3.5085001262	 0.440477
+O	 1.5787757333	-0.5939331355	-4.6852121602	-0.345483
+C	 0.8751826668	-1.9305970388	-2.7786242512	-0.187776
+C	-0.1450116834	-1.4728911749	-1.7497894831	-0.291322
+C	 1.2612324154	-1.7688756756	-1.3294141203	-0.069809
+H	 2.7450582469	 2.3428500728	 0.5453949216	 0.114978
+H	 3.9888070234	 1.2516416177	-0.0793456056	 0.115381
+H	 2.9420065215	 2.1286990485	-1.202993994	 0.143316
+H	 1.9912408201	-0.0484159939	 0.7580518444	 0.101879
+H	 0.9419423603	 0.8430241252	-0.3360013471	 0.106019
+H	 3.2521370049	-0.968718938	-1.1751170858	 0.091031
+H	 0.7530289084	-2.8737261623	-3.2924530204	 0.119597
+H	-0.4915719045	-0.4458045391	-1.7883012523	 0.13539
+H	-0.9063187369	-2.1966262991	-1.4828727881	 0.127835
+H	 1.4667189297	-2.6214614528	-0.6942251266	 0.104375
+19
+0 5652	2.6545204	1.3522038	1.0374733	3.3869	76.08	-0.23471	-0.00929	0.22542	1197.2349	0.156917	-422.564749	-422.556286	-422.555342	-422.598089	31.722
+C	 1.2996667423	 0.0021992632	-0.2298408052	-0.239317
+O	-0.0502548707	 0.341725776	-0.0101411088	-0.249093
+C	-0.3237241976	 0.8178137343	 1.2969751522	 0.126832
+C	 0.0606369022	 2.3045461427	 1.4644104884	-0.381367
+C	-1.214614295	 3.0962658276	 1.1205481919	 0.432597
+O	-1.2468743127	 4.231166815	 0.7165310924	-0.334478
+C	-2.3863227738	 2.1905496664	 1.3189893707	-0.135595
+C	-2.4131017229	 1.4579094854	 2.6564281265	-0.309004
+C	-1.8394723887	 0.7788871733	 1.4591518032	-0.050057
+H	 1.6431080264	-0.7686225711	 0.4779543249	 0.105617
+H	 1.3699667609	-0.3935222961	-1.2456824381	 0.131942
+H	 1.9733757582	 0.86795021	-0.1461867471	 0.108164
+H	 0.1804696046	 0.173084265	 2.0339298118	 0.067116
+H	 0.3706831443	 2.5408660353	 2.4886635726	 0.126023
+H	 0.8759760758	 2.6068256293	 0.8054791977	 0.136188
+H	-3.3195341332	 2.4310841703	 0.8272761998	 0.108212
+H	-1.7608708951	 1.7953797071	 3.4554134761	 0.12196
+H	-3.3915180605	 1.1345616217	 2.9926227451	 0.12873
+H	-2.3531674146	-0.0668111154	 1.0189752158	 0.105529
+19
+0 5653	2.5768412	1.3221658	1.0086083	3.4611	75.23	-0.23249	-0.0074	0.22509	1203.4127	0.157509	-422.578657	-422.57018	-422.569236	-422.611949	32.046
+O	-2.343519786	 1.3260088048	 0.106417295	-0.419852
+C	-1.0658431141	 0.7868506187	-0.1911669408	-0.087605
+C	-0.9426719449	 0.6737374253	-1.7104098939	 0.001119
+C	-0.975453251	 2.0657671812	-2.3804220193	-0.356053
+C	 0.4946076372	 2.4509538618	-2.6128670688	 0.417602
+O	 0.9220945069	 3.5748323812	-2.7102109082	-0.335443
+C	 1.306554392	 1.1953787	-2.6289432379	-0.136521
+C	 0.7792482792	 0.0917329416	-3.540071549	-0.311362
+C	 0.4168951516	 0.0811691082	-2.0933698161	-0.039728
+H	-2.3880661696	 1.4980373587	 1.0512210737	 0.290034
+H	-0.2583464104	 1.4298088712	 0.1962980977	 0.093113
+H	-0.9391829398	-0.2096483219	 0.262035813	 0.086964
+H	-1.7637116428	 0.0389015738	-2.0617299674	 0.086351
+H	-1.4934898456	 2.0500668023	-3.3460398276	 0.124833
+H	-1.4795509451	 2.813361098	-1.7663341914	 0.143194
+H	 2.3711155096	 1.263689229	-2.4461640356	 0.103996
+H	 0.0256736692	 0.3386138192	-4.2808381052	 0.123224
+H	 1.5188415442	-0.623907505	-3.880687901	 0.125505
+H	 0.8375298893	-0.6935715379	-1.4607053072	 0.090628
+19
+0 5654	2.1209775	1.3414485	0.8749838	4.8299	79.9	-0.23199	-0.03989	0.1921	1317.7521	0.156126	-422.599047	-422.589671	-422.588726	-422.633762	33.868
+C	 1.3266279379	 0.7087195465	-0.5451447849	-0.495417
+C	 0.0338075111	 0.1071896119	-0.0948684324	 0.328893
+C	-0.236542879	-1.2007924522	 0.0377511743	-0.296058
+C	-1.6091385973	-1.4192399828	 0.5364672172	 0.390691
+O	-2.1490340835	-2.4797651655	 0.7544704603	-0.33659
+C	-2.2307715305	-0.0307167827	 0.7461980325	-0.348437
+C	-1.1609240883	 0.9752016473	 0.2782937638	-0.126232
+C	-1.6412875547	 1.8529212307	-0.8938370708	-0.073259
+O	-2.807824066	 2.5910145207	-0.5789591976	-0.408756
+H	 1.6914919685	 1.4391122711	 0.1878580071	 0.135252
+H	 2.0971615214	-0.0521529353	-0.6886094147	 0.136671
+H	 1.2056534225	 1.2525177269	-1.489847918	 0.143524
+H	 0.4415051553	-2.0193781506	-0.1718239565	 0.108488
+H	-3.1641610453	 0.0614055213	 0.184419213	 0.144168
+H	-2.4913506308	 0.0867544803	 1.8022760031	 0.128268
+H	-0.8663800633	 1.6546835126	 1.0929204419	 0.074823
+H	-0.8302951855	 2.5159812717	-1.231101904	 0.090418
+H	-1.9146576557	 1.2119499703	-1.7396028995	 0.119596
+H	-2.5901109269	 3.2083858778	 0.1270485051	 0.283955
+19
+0 5655	2.0518515	1.4979842	0.9164097	5.2503	79.32	-0.26148	-0.03539	0.22608999999999999	1293.6457	0.156249	-422.619544	-422.610358	-422.609414	-422.653653	33.263
+C	 1.1829892694	 1.2425948666	 0.1696950527	-0.386272
+C	 0.9374371277	-0.2569071677	-0.0136964203	-0.187177
+C	 1.7596402708	-0.8561788897	-1.1602428216	 0.021132
+O	 1.4235844105	-0.2075268363	-2.3915287304	-0.241142
+C	 0.9983896436	-1.1359369919	-3.3156506612	 0.442848
+O	 0.654488768	-0.8284268585	-4.4218385203	-0.352177
+C	 1.0704063248	-2.4626685364	-2.6697483212	-0.380386
+C	 1.5155908731	-2.326796605	-1.4180378454	 0.332011
+C	 1.7687601971	-3.3749475148	-0.3873446829	-0.499524
+H	 0.5693002765	 1.6399668576	 0.9831348164	 0.116484
+H	 2.2322109985	 1.4446785838	 0.4117492779	 0.115918
+H	 0.9375418634	 1.7877715077	-0.7447881858	 0.147524
+H	 1.1905511346	-0.7957641999	 0.9075034842	 0.101557
+H	-0.1228545334	-0.4484980485	-0.2166946264	 0.111626
+H	 2.8288556435	-0.6748589205	-0.9709095937	 0.102336
+H	 0.7953733798	-3.3693486411	-3.1892530171	 0.126809
+H	 1.1175189665	-3.2379945405	 0.4840041581	 0.146012
+H	 1.5971601537	-4.3766526359	-0.7871041077	 0.141221
+H	 2.8004465619	-3.3217169188	-0.0192651854	 0.1412
+19
+0 5656	2.4263513	1.3035812	0.8848679	3.7465	80.68	-0.23391	-0.04191	0.192	1312.4876	0.155451	-422.586064	-422.576669	-422.575724	-422.620653	33.601
+C	 1.3589487402	-0.0337860929	-0.1759437355	-0.235249
+O	-0.0211843567	-0.128456683	 0.1009467955	-0.24884
+C	-0.4167364397	 0.5632248858	 1.2713016439	 0.034776
+C	-0.0424620881	-0.1248700691	 2.5989937774	-0.365029
+C	-1.3548320752	-0.1740605691	 3.3989926861	 0.388355
+O	-1.4656506017	-0.5037997455	 4.556877798	-0.332126
+C	-2.4298189005	 0.2557546281	 2.4820638264	-0.302058
+C	-1.9353909021	 0.6389426752	 1.2959607	 0.322208
+C	-2.6770893926	 1.1108621858	 0.0921521498	-0.492027
+H	 1.9727145896	-0.4980816768	 0.6096431515	 0.11328
+H	 1.5359893785	-0.5607254522	-1.1163247124	 0.13133
+H	 1.6774960658	 1.0145398829	-0.2881549707	 0.106706
+H	-0.006073355	 1.588496807	 1.2351666493	 0.078357
+H	 0.2872836098	-1.1507347089	 2.4031576401	 0.140861
+H	 0.7402248568	 0.3757182236	 3.1734077115	 0.124411
+H	-3.4735305375	 0.2520395229	 2.7721195252	 0.111734
+H	-2.4345529762	 0.4752795896	-0.7657799636	 0.157886
+H	-3.7577053478	 1.1069287293	 0.2497625236	 0.130697
+H	-2.3663277574	 2.1279108171	-0.1788081963	 0.134727
+19
+0 5657	2.4129921	1.2287478	0.8463345	1.7555	75.75	-0.2406	-0.04198	0.19862000000000002	1353.238	0.155063	-422.611443	-422.602143	-422.601199	-422.64681	33.431
+C	 1.7106866031	-0.6024338119	 1.2717830635	-0.393691
+C	 1.1492773417	-0.0534167499	-0.0422334416	-0.179692
+C	 1.7113843035	-0.7451383099	-1.2863219236	-0.103164
+C	 1.315903702	-2.2169299786	-1.5069817631	-0.33866
+C	 1.2988469596	-2.4374525167	-3.0239802223	 0.388018
+O	 1.3086427796	-3.5073574325	-3.5730759244	-0.299481
+C	 1.2638545792	-1.0765166621	-3.7188267956	-0.440688
+C	 1.3118200661	-0.0432367519	-2.5970454807	 0.38188
+O	 1.0657375503	 1.1298670515	-2.7071167425	-0.308884
+H	 1.4802690056	-1.6655606433	 1.3997518491	 0.118972
+H	 2.8002540228	-0.4924995693	 1.3128454233	 0.117059
+H	 1.2905331946	-0.0685128306	 2.1292733181	 0.120433
+H	 0.055696706	-0.1501291458	-0.0501030475	 0.100166
+H	 1.3586576321	 1.0174698994	-0.1277356802	 0.124269
+H	 2.8117758937	-0.6828344366	-1.2576308626	 0.109272
+H	 1.9615800574	-2.951218623	-1.021396961	 0.137994
+H	 0.2945385586	-2.3984662308	-1.1421367391	 0.137679
+H	 2.1334592713	-0.9671972801	-4.3781736847	 0.164927
+H	 0.3786226127	-0.9574188579	-4.3507625354	 0.163593
+19
+0 5658	2.4854279	1.3686954	0.94989	4.1106	78.4	-0.25956	0.0045	0.26406	1262.0712	0.156734	-422.602927	-422.593955	-422.59301	-422.637884	32.437
+C	 1.6244357177	-1.5927164653	 0.9947396713	-0.388996
+C	 1.376164044	-0.5824526533	-0.1274694859	-0.173442
+C	 1.7950969031	-1.0974998747	-1.514035892	 0.085129
+O	 3.1938154622	-1.4476227568	-1.4617686671	-0.243239
+C	 4.1767457444	-0.8588030566	-2.1785836199	 0.409497
+O	 5.3121748167	-1.2093607829	-2.004487122	-0.326502
+C	 3.8119134982	 0.2196975445	-3.1871743165	-0.404622
+C	 2.346433467	 0.4633167585	-3.3660965164	-0.077882
+C	 1.4417451163	-0.1403327701	-2.6072101133	-0.07624
+H	 1.0519855566	-2.5125494669	 0.8309112426	 0.114849
+H	 2.6820331299	-1.8611450896	 1.0490057098	 0.145987
+H	 1.32383013	-1.18013915	 1.9620877766	 0.115051
+H	 0.3111791159	-0.3238063742	-0.1758661827	 0.100672
+H	 1.9170457608	 0.3513718598	 0.0673223634	 0.107151
+H	 1.280443603	-2.0532275028	-1.6921111367	 0.103741
+H	 4.3312189915	 1.1344940136	-2.8715646909	 0.150859
+H	 4.2920273281	-0.0617627266	-4.1322169562	 0.150317
+H	 2.0451770302	 1.1575798858	-4.145462174	 0.103624
+H	 0.3794272544	 0.0430930676	-2.7392867102	 0.104046
+19
+0 5659	2.3919027	1.4356215	1.034754	2.9308	78.05	-0.23738	-0.01264	0.22474	1200.9793	0.156353	-422.575277	-422.566344	-422.5654	-422.609646	32.459
+C	 1.4259890318	-0.097683124	-0.1328482779	-0.238112
+O	 0.0538112805	 0.2273503346	-0.081974138	-0.245716
+C	-0.372651998	 0.8040205549	 1.1481990661	 0.077308
+C	-0.003377686	 2.2990881484	 1.2468909483	-0.336053
+C	-0.8695697041	 3.1489362666	 0.3358105393	 0.401262
+O	-0.4169976221	 3.9407603227	-0.4549920222	-0.310145
+C	-2.3703543928	 2.9478782065	 0.5149347926	-0.35719
+C	-2.7454081115	 1.5578197708	 0.9540947667	-0.044684
+C	-1.8634448771	 0.6015260981	 1.2350652222	-0.077036
+H	 1.7096226001	-0.7839654586	 0.6804588365	 0.103571
+H	 1.600038778	-0.5943277705	-1.090259184	 0.132476
+H	 2.0744040442	 0.788479006	-0.0792267554	 0.113248
+H	 0.1181365714	 0.2694070214	 1.9780600939	 0.068743
+H	-0.1801897045	 2.6221937566	 2.2819304246	 0.119767
+H	 1.0477649052	 2.4781177708	 1.011440828	 0.121076
+H	-2.7173297786	 3.6837589551	 1.2578552772	 0.135273
+H	-2.8680411711	 3.2212034777	-0.4219480673	 0.139888
+H	-3.8101235706	 1.3461388849	 1.0204628878	 0.099034
+H	-2.2009437848	-0.3942782719	 1.5058548018	 0.097293
+19
+0 5660	2.1623452	1.6151407	1.3002324	4.0287	76.81	-0.2347	-0.00736	0.22734	1072.9621	0.157424	-422.591308	-422.582714	-422.58177	-422.624704	32.343
+O	-2.9951193411	 1.0076992126	-0.2718482968	-0.409057
+C	-1.9542140543	 0.0496308393	-0.2633456828	-0.066092
+C	-0.6928719762	 0.55629705	 0.4710175922	-0.074163
+C	-0.088508029	 1.7915843831	-0.2270234049	-0.312146
+C	-0.8597460661	 3.075454166	 0.0287162301	 0.408486
+O	-1.0760756617	 3.8930496011	-0.832016394	-0.317627
+C	-1.2692345132	 3.3236948612	 1.4814924049	-0.35455
+C	-1.3058009123	 2.0930008919	 2.3479568065	-0.062085
+C	-1.0285967148	 0.8635517003	 1.9095581618	-0.094527
+H	-3.2401783364	 1.1682271336	 0.6470277697	 0.284918
+H	-2.284958952	-0.8998472715	 0.1862828442	 0.088294
+H	-1.7146334688	-0.1474698609	-1.3134433381	 0.115691
+H	 0.0411439462	-0.2593578071	 0.4368932482	 0.081809
+H	 0.9215534431	 1.9531558644	 0.1753328494	 0.121162
+H	 0.002774579	 1.65117703	-1.3070611269	 0.120721
+H	-0.5600822663	 4.0549772614	 1.8987754921	 0.137728
+H	-2.2348790625	 3.842637823	 1.4726797951	 0.140453
+H	-1.5641589506	 2.2467350874	 3.3934951207	 0.096884
+H	-1.0850857229	 0.0220129342	 2.5962260485	 0.0941
+19
+0 5661	2.0327256	1.2598288	0.9026584	2.5615	78.04	-0.25174	0.01472	0.26646000000000003	1342.4318	0.154643	-422.505681	-422.495875	-422.494931	-422.54116	35.352
+C	 3.6488552124	-3.9876311052	-0.3086943748	-0.419141
+C	 3.2060354973	-2.5351188983	-0.2425512684	-0.079921
+C	 1.7774315016	-2.1885074366	-0.7150293317	 0.121835
+C	 0.876868058	-1.4069346042	 0.2251855303	-0.070679
+O	-0.2027208991	-0.8325034449	-0.483317047	-0.421048
+O	 2.2825225559	-1.3081361506	-1.7571473578	-0.316747
+C	 3.6609689267	-1.6037178286	-1.4072417879	-0.049102
+C	 4.4426629174	-0.4287853467	-1.0650130116	 0.323637
+C	 5.0983811621	 0.5335350986	-0.7660786648	-0.441057
+H	 3.1347302253	-4.5871731506	 0.4497915878	 0.125463
+H	 3.4281928303	-4.4260201018	-1.287931634	 0.12485
+H	 4.7254901797	-4.079587744	-0.131652195	 0.12706
+H	 3.4367663829	-2.103094227	 0.7346289905	 0.094077
+H	 1.2243157513	-3.0258974858	-1.1603515345	 0.081141
+H	 0.4493651118	-2.0734933625	 0.9833179826	 0.106581
+H	 1.4740688524	-0.6396401778	 0.7441069635	 0.090202
+H	 0.1936929421	-0.3244109899	-1.2019315253	 0.29489
+H	 4.1500294112	-2.1505827379	-2.2248994114	 0.104052
+H	 5.6765835006	 1.3868123538	-0.5093928207	 0.203908
+19
+0 5662	2.3038026	1.2304303	1.0821538	2.5051	77.53	-0.25164	0.02438	0.27602	1245.9653	0.154032	-422.502236	-422.49223	-422.491285	-422.537781	35.766
+C	 1.2858489847	 1.0268423555	 0.322125306	-0.386596
+C	 0.9347534496	-0.443937961	 0.0805281987	-0.180087
+C	 1.690223649	-1.0208233016	-1.1053022539	 0.099818
+O	 1.3668549341	-0.3506559136	-2.3547028685	-0.293607
+C	 0.7231233265	-1.5289914612	-2.9006543612	-0.10944
+C	-0.7079444673	-1.3754300132	-3.1000913487	 0.388815
+C	-1.8861478436	-1.2396038287	-3.2934015675	-0.468116
+C	 1.1822625759	-2.373339119	-1.6776433029	 0.040987
+O	 0.1433533921	-3.0414638869	-1.0175929001	-0.407573
+H	 0.7056855785	 1.4388753491	 1.1529513449	 0.111227
+H	 2.3482876298	 1.1504997114	 0.5609484607	 0.109096
+H	 1.0717305004	 1.6188865741	-0.5719065286	 0.139477
+H	 1.1741155058	-1.045238082	 0.9681784348	 0.083792
+H	-0.1393029267	-0.5580362095	-0.0952512092	 0.122027
+H	 2.7740865389	-0.9796283763	-0.9291428784	 0.068861
+H	 1.1964405099	-1.8231514807	-3.8456971131	 0.105982
+H	-2.9292974979	-1.1217839261	-3.4539846168	 0.200131
+H	 1.9975187645	-3.0569253529	-1.9424034274	 0.083208
+H	 0.5259199458	-3.6317673774	-0.3615877789	 0.291996
+19
+0 5663	2.9319714	0.9751478	0.8007035	2.6719	79.71	-0.24672	0.04688	0.29359999999999997	1453.1011	0.154047	-422.500929	-422.490977	-422.490033	-422.536019	35.947
+C	 1.5434973632	 0.5192165865	-0.1234321159	-0.242785
+O	 0.1588023455	 0.255304389	-0.0541876257	-0.240208
+C	-0.3987056419	 0.5116977453	 1.1985682074	 0.106676
+C	-0.1790540838	-0.49162916	 2.3682176487	-0.28475
+C	-1.6750192083	-0.2739255369	 2.7647173317	-0.224898
+C	-2.4519247868	-1.390143723	 3.2533614442	 0.308062
+C	-3.0956760653	-2.331782644	 3.6350157333	-0.43805
+C	-1.9125445331	 0.2432348812	 1.3003368053	 0.114135
+O	-2.8464935556	 1.2474129674	 1.0419154423	-0.422512
+H	 2.1192978309	-0.1179437997	 0.564110643	 0.11037
+H	 1.862503773	 0.3105421868	-1.1470565704	 0.131844
+H	 1.7674485009	 1.5717338228	 0.1115396701	 0.10528
+H	-0.1667692824	 1.5404989005	 1.5291965579	 0.054146
+H	-0.0192400561	-1.501413541	 1.9840178742	 0.125525
+H	 0.5718793673	-0.2591845132	 3.1237165109	 0.109655
+H	-1.752604353	 0.5740620811	 3.4565899102	 0.094808
+H	-3.666715298	-3.1595955876	 3.9752425034	 0.193958
+H	-2.1691468411	-0.5992450765	 0.6528996407	 0.118817
+H	-2.6152944754	 2.0224381812	 1.5648782387	 0.279929
+19
+0 5664	3.1863745	0.9626464	0.7935791	1.262	78.39	-0.25118	0.04218	0.29336	1427.4108	0.154666	-422.511754	-422.501784	-422.50084	-422.546721	36.265
+O	 1.4245886785	 0.7865600421	 0.1983858702	-0.424637
+C	 0.0184703182	 0.5980970734	 0.2554758685	-0.055769
+C	-0.577345158	 0.2699716312	-1.1110610405	-0.087925
+C	-0.7334280054	 1.4974624393	-2.0551926788	-0.262694
+C	-2.2387322343	 1.5975742441	-1.6397584901	-0.163933
+C	-3.2329691929	 1.9149392241	-2.6417653359	 0.290293
+C	-4.0458206827	 2.1568901997	-3.4947576369	-0.442095
+C	-2.1344061246	 0.1400276715	-1.1123308851	 0.110698
+O	-2.8064199274	-0.0635058774	 0.1068128991	-0.422646
+H	 1.5987482813	 1.5335968041	-0.3831252602	 0.28132
+H	-0.1425990507	-0.2391997793	 0.9410774883	 0.106757
+H	-0.4847448738	 1.47026233	 0.7000659017	 0.094451
+H	-0.0318180478	-0.5793017477	-1.5316081947	 0.075479
+H	-0.121470716	 2.3797313648	-1.846512374	 0.097909
+H	-0.6231704863	 1.2392420836	-3.1097530462	 0.117988
+H	-2.3447141865	 2.2596592642	-0.7740606521	 0.116977
+H	-4.76940083	 2.3773294956	-4.2397725124	 0.193771
+H	-2.4697211285	-0.5668777077	-1.8811016905	 0.084434
+H	-2.8744010233	-1.0090638658	 0.2702271396	 0.289623
+19
+0 5665	2.5659989	1.1790631	0.9909568	2.5562	77.56	-0.25079	0.02117	0.27196000000000004	1273.9345	0.154357	-422.510849	-422.501163	-422.500218	-422.545588	35.733
+C	 3.4552957372	-4.6939997807	-1.1803257397	-0.435015
+C	 3.0539513811	-3.3201761173	-0.6547203706	 0.22806
+C	 2.4791375871	-3.2761660954	 0.7943607622	-0.36099
+C	 1.1833711118	-2.777081444	 0.1323017599	 0.124876
+C	 0.7938657586	-1.326649191	 0.3697662066	-0.067509
+O	-0.1133496277	-0.8919770223	-0.6218119782	-0.421298
+O	 1.7556985659	-2.9186335374	-1.1975860249	-0.334921
+C	 4.0822129068	-2.3206663938	-0.9314642605	 0.343961
+C	 4.936416901	-1.5040042797	-1.1524305543	-0.48362
+H	 4.3875271488	-5.0246671115	-0.7124373423	 0.129087
+H	 2.6671169669	-5.4196839479	-0.9624842616	 0.121722
+H	 3.6059229322	-4.6524927191	-2.2623446743	 0.138447
+H	 2.4155032213	-4.2559443487	 1.2692600653	 0.115389
+H	 2.9670854982	-2.57055955	 1.4675827674	 0.121946
+H	 0.3053759417	-3.4246940222	 0.2370948263	 0.085919
+H	 0.2933174608	-1.2216694453	 1.3393902786	 0.105883
+H	 1.7041619548	-0.7055031234	 0.3875193863	 0.091957
+H	 0.307105376	-1.097425999	-1.4664617645	 0.293238
+H	 5.6860834475	-0.7781412513	-1.3512662717	 0.202868
+19
+0 5666	3.2973126	0.957219	0.8646729	2.1518	78.63	-0.24775	0.02916	0.27691	1399.2957	0.153594	-422.500915	-422.49102	-422.490075	-422.535741	36.253
+C	 1.5187672552	 0.4314464732	-0.0297794789	-0.240841
+O	 0.1299729913	 0.1886117254	-0.0118695723	-0.23686
+C	-0.4633429608	 0.4559209225	 1.228342788	 0.16958
+C	-0.2703953204	-0.5693086908	 2.3835600456	-0.320505
+C	-1.8076657694	-0.4477518184	 2.6765844714	 0.237118
+O	-2.5329873556	-1.6549446684	 2.8129080438	-0.45751
+C	-1.9763105683	 0.1760401944	 1.2619031523	-0.302519
+C	-2.0995904824	 0.4763657803	 3.7684038642	 0.297861
+C	-2.3311577758	 1.2083023701	 4.6944575159	-0.504636
+H	 2.0593451101	-0.2130083545	 0.6798173205	 0.108307
+H	 1.8736954844	 0.2156738392	-1.040272358	 0.128186
+H	 1.7511871952	 1.4804781018	 0.2127445481	 0.104838
+H	-0.2223863414	 1.4772811956	 1.5590639889	 0.072107
+H	-0.0706103728	-1.5643956586	 1.9776361207	 0.117282
+H	 0.4222157167	-0.3367912827	 3.1937745768	 0.10208
+H	-2.5042862282	-1.9180356762	 3.7394329624	 0.282261
+H	-2.2226390535	-0.6215079056	 0.557089257	 0.129702
+H	-2.6706330433	 1.0085925094	 1.1493551828	 0.112028
+H	-2.5449775909	 1.8619838435	 5.5038753909	 0.201522
+19
+0 5667	3.2304	0.9110108	0.8343291	1.6223	77.97	-0.25837	0.02797	0.28634	1426.213	0.154267	-422.513322	-422.503431	-422.502487	-422.548156	36.536
+O	 1.2653676071	 0.9421600728	-0.7053954197	-0.42018
+C	 0.4759943499	 0.2422205825	 0.2440296446	-0.082734
+C	-0.0575270228	 1.14149217	 1.3462266149	 0.029044
+C	-0.8468191919	 0.4798011201	 2.5077281762	-0.310809
+C	-0.0978907671	 1.4229969564	 3.5117842224	 0.255775
+O	 0.4804205615	 0.8204490375	 4.6539632898	-0.462291
+C	 0.9514509589	 1.6902554269	 2.3956884951	-0.296906
+C	-0.8860791828	 2.5981779428	 3.8710274492	 0.2972
+C	-1.5552632801	 3.5429476498	 4.1969557737	-0.502188
+H	 2.0298931912	 1.3003817829	-0.2427449529	 0.285258
+H	-0.3551100694	-0.1918336016	-0.32346329	 0.110876
+H	 1.0366042143	-0.5960177282	 0.6916420654	 0.082186
+H	-0.6282710924	 1.9599307845	 0.8981826956	 0.088691
+H	-1.9368787054	 0.5234806475	 2.4869598024	 0.107094
+H	-0.5191853444	-0.5491903623	 2.6853000167	 0.108637
+H	-0.1731060016	 0.8304372934	 5.3618485696	 0.282932
+H	 1.3196679033	 2.7119997417	 2.2940997916	 0.113367
+H	 1.7935368494	 1.0065586265	 2.5474674638	 0.111271
+H	-2.1371110178	 4.3855397066	 4.4794122117	 0.202777
+19
+0 5668	2.2611687	1.2772974	0.8676226	3.3235	79.96	-0.23251	-0.04032	0.19219	1339.9037	0.156242	-422.600882	-422.591504	-422.59056	-422.635681	33.756
+C	 1.3962221537	 0.7683421107	 0.1230109489	-0.485885
+C	 0.048269401	 0.1302394983	 0.1857074915	 0.327453
+C	-0.2276751261	-1.1849722233	 0.1952633837	-0.290475
+C	-1.67972293	-1.4211237837	 0.2588401997	 0.389091
+O	-2.2601996993	-2.4846758086	 0.2767075009	-0.353403
+C	-2.3671434496	-0.0400853978	 0.2705226532	-0.143608
+C	-3.3318322752	 0.0839110075	-0.9172494717	-0.07122
+O	-3.9823750476	 1.3433196211	-0.9714963171	-0.419941
+C	-1.2082080329	 0.9731057091	 0.2484328313	-0.319875
+H	 1.5576523763	 1.4168580916	 0.9932225354	 0.138695
+H	 2.20007062	 0.0296351886	 0.0870463649	 0.134743
+H	 1.4762369057	 1.4141669866	-0.7603747234	 0.140779
+H	 0.492327784	-1.9933769642	 0.1600371473	 0.108469
+H	-2.9523136744	 0.035307201	 1.1955231364	 0.090821
+H	-2.7725116123	 0.001506542	-1.8562530395	 0.112822
+H	-4.0450485675	-0.7503852479	-0.8848079388	 0.115072
+H	-4.5800857663	 1.3989391686	-0.2188878962	 0.282508
+H	-1.2747593055	 1.6534705681	-0.6096094605	 0.129141
+H	-1.191652014	 1.6181096324	 1.1358903039	 0.114815
+19
+0 5669	3.2009546	1.1484062	0.8828948	3.454	81.06	-0.21833	-0.04427	0.17406	1337.195	0.155609	-422.582399	-422.572973	-422.572029	-422.61719	33.539
+C	 0.9129859679	-0.8717467503	 0.064042536	-0.244471
+O	 0.653976607	 0.5196686807	-0.0339859012	-0.246986
+C	-0.0565954869	 1.0565372186	 1.0576847609	 0.015989
+C	 0.0096042718	 2.5912307827	 1.0282568426	-0.342474
+C	-1.4235231596	 3.049772984	 1.1913141524	 0.315727
+C	-1.751774089	 4.4985210713	 1.3300385363	-0.485579
+C	-2.2869519703	 2.0194353227	 1.176222639	-0.274112
+C	-1.5780617667	 0.7402324323	 1.0236496944	 0.376076
+O	-2.0580744308	-0.364628941	 0.8898651303	-0.343643
+H	-0.0102120513	-1.4581677631	 0.0788250764	 0.146411
+H	 1.5083208173	-1.1400270273	-0.8121706396	 0.121243
+H	 1.4935466015	-1.1005364751	 0.9721121414	 0.098746
+H	 0.3455875097	 0.6626526894	 2.0065327331	 0.083932
+H	 0.6602632341	 3.0123415003	 1.8030133349	 0.113765
+H	 0.4155380134	 2.9174518359	 0.0633114987	 0.138552
+H	-1.249632877	 4.9246358214	 2.2078068761	 0.139527
+H	-1.3856046614	 5.0620228566	 0.4627384177	 0.142148
+H	-2.8263105706	 4.6686897722	 1.4275795156	 0.135547
+H	-3.3660627191	 2.0861138388	 1.244291315	 0.109602
+19
+0 5670	2.1222876	1.2079963	0.8508981	2.1968	78.64	-0.25283	0.0356	0.28843	1379.4623	0.154539	-422.510912	-422.501094	-422.50015	-422.546094	35.5
+C	 1.9370520027	-4.0370967287	 2.7130858234	-0.411433
+C	 1.9242276371	-3.9529319934	 1.2036633317	 0.169621
+O	 2.0791353412	-2.6002163668	 0.7080325253	-0.330688
+C	 0.9568112086	-2.7478198951	-0.1944328269	 0.129532
+C	 0.0096232995	-1.5713008064	-0.0557529822	-0.076025
+O	 0.6803099839	-0.3603831527	-0.3398530813	-0.419022
+C	 0.5636419616	-4.1028076506	 0.4561491547	-0.295109
+C	 0.357676459	-5.2552092137	-0.3916035125	 0.319642
+C	 0.2050927257	-6.2120625937	-1.1036427541	-0.447373
+H	 1.7769809265	-5.0713737444	 3.0357686885	 0.127687
+H	 2.9037256531	-3.7034208758	 3.1032416717	 0.132922
+H	 1.154919748	-3.4069087837	 3.1473094189	 0.121039
+H	 2.693337759	-4.6052010797	 0.7699350688	 0.088343
+H	 1.3008143722	-2.8465357269	-1.2313510203	 0.092148
+H	-0.8153524808	-1.6621349871	-0.7712266395	 0.114806
+H	-0.4190684689	-1.5680443357	 0.9601746462	 0.082257
+H	 1.4627061968	-0.3484900443	 0.2249705156	 0.295725
+H	-0.2770946417	-3.9770551652	 1.1476990294	 0.105503
+H	 0.0640316164	-7.057101926	-1.7310514475	 0.200427
+19
+0 5671	1.9836769	1.2631436	0.8344745	2.024	79.35	-0.2466	0.04562	0.29222000000000004	1395.085	0.15413	-422.501256	-422.491352	-422.490408	-422.536319	35.894
+C	 1.3756783262	 0.2782544495	-0.0880341173	-0.241855
+O	 0.0002813535	 0.4256697953	-0.3703098784	-0.240373
+C	-0.7579540109	 0.7955309103	 0.7449737925	 0.146209
+C	-1.1348383007	-0.2951387766	 1.788860019	-0.326623
+C	-2.57523031	 0.2801516881	 1.793460778	 0.151451
+O	-3.676260761	-0.5752353343	 1.8982962963	-0.425122
+C	-2.2663983745	 0.9816913786	 0.4234635599	-0.244867
+C	-2.7902605379	 2.301717083	 0.1574381753	 0.292771
+C	-3.2193122292	 3.4106490353	-0.0239752476	-0.43875
+H	 1.5615964969	-0.5183445912	 0.6477491481	 0.109311
+H	 1.8717144878	 0.0151860597	-1.0250116973	 0.130977
+H	 1.8120783135	 1.2129744429	 0.2962330573	 0.109693
+H	-0.3400354274	 1.6914075579	 1.225913844	 0.079902
+H	-1.1107883549	-1.282303914	 1.3137420886	 0.102471
+H	-0.5959536387	-0.3339995937	 2.7367495979	 0.108022
+H	-2.7039070527	 1.0312468799	 2.5762993558	 0.107088
+H	-3.5843660281	-1.2693780044	 1.2368724866	 0.28031
+H	-2.5104968582	 0.2873586471	-0.3903757192	 0.105525
+H	-3.6021452336	 4.3860513667	-0.1948111697	 0.193863
+19
+0 5672	1.9088445	1.3372489	0.8569107	3.013	78.69	-0.24109	0.05228	0.29337	1351.4156	0.154582	-422.5132	-422.503279	-422.502335	-422.548246	36.213
+O	 1.4493704395	 0.1594624645	-0.7658684577	-0.413422
+C	 0.2059181969	 0.1662800716	-0.086456724	-0.097422
+C	-0.8912080367	 0.3631440038	-1.1104748788	 0.03302
+C	-2.3419988988	 0.552487902	-0.5958528351	-0.316674
+C	-2.5536266954	 1.6115553385	-1.7077786753	 0.154587
+O	-3.347014574	 2.7393533028	-1.475047644	-0.426672
+C	-0.996431022	 1.7557485501	-1.8213286301	-0.215562
+C	-0.4029370704	 1.9578170025	-3.123310949	 0.31159
+C	 0.0519842347	 2.1110018625	-4.2261223222	-0.44333
+H	 2.1506404976	 0.0493131113	-0.1171530971	 0.288435
+H	 0.0344371117	-0.7799880508	 0.4540387024	 0.088209
+H	 0.159380722	 0.978489483	 0.6594228755	 0.076563
+H	-0.8351504917	-0.4300398109	-1.8607566358	 0.096057
+H	-3.0070209331	-0.3127661501	-0.5790537216	 0.109474
+H	-2.3530053354	 1.0236156402	 0.3952768684	 0.090466
+H	-2.9461797355	 1.1511793166	-2.617964765	 0.10768
+H	-3.0324130614	 3.170734375	-0.6733926466	 0.277932
+H	-0.6631069645	 2.5345035558	-1.1215453069	 0.088117
+H	 0.4674665565	 2.2477905816	-5.193337797	 0.190951
+19
+0 5673	2.8157578	0.8488109	0.7427659	2.8314	81.03	-0.24603	0.02253	0.26856	1618.213	0.155254	-422.509017	-422.498936	-422.497992	-422.546743	34.643
+C	 1.5281521464	-0.0204341146	 0.071901681	-0.497825
+C	 0.073805694	-0.0269339004	 0.028074205	 0.049467
+C	-1.1305044033	-0.0339912186	-0.0025489475	 0.111362
+C	-2.5813214255	-0.0396671758	-0.0467433424	-0.044458
+C	-3.2586852719	-0.5770400688	-1.3390871558	-0.325569
+C	-3.8271759717	-1.6802098818	-0.4277884396	 0.131063
+C	-3.3184882023	-3.0974953862	-0.6355433138	-0.063392
+O	-3.5520548038	-3.877307028	 0.5190845038	-0.421848
+O	-3.1889623618	-1.1032916611	 0.7449383711	-0.309765
+H	 1.9041600073	-0.839059609	 0.6952665652	 0.155563
+H	 1.9573130952	-0.1422910336	-0.9286456317	 0.150959
+H	 1.9111047703	 0.9175192938	 0.4883517362	 0.151899
+H	-2.9705797533	 0.9324782169	 0.2802604493	 0.105001
+H	-3.9926993974	 0.0981655209	-1.7789109656	 0.116431
+H	-2.5649250642	-0.9193584107	-2.1081124404	 0.119948
+H	-4.9166729327	-1.6841861827	-0.3041129739	 0.084467
+H	-3.8488168743	-3.5763874382	-1.4669246638	 0.10507
+H	-2.2465382039	-3.0621541461	-0.8906942104	 0.087963
+H	-3.1779528373	-3.372278896	 1.2522908134	 0.293661
+19
+0 5674	3.8814309	0.9350005	0.8025752	3.1539	78.92	-0.23519	-0.03357	0.20162000000000002	1441.0008	0.155011	-422.570825	-422.561516	-422.560571	-422.605881	33.015
+C	 1.6004565939	 1.1089354817	 0.2578934062	-0.382454
+C	 1.1647536086	-0.3372896839	 0.0115856499	-0.177056
+C	 1.7738589474	-0.9302579266	-1.2644210193	 0.084218
+O	 3.2120442591	-0.9281366546	-1.1843037908	-0.287486
+C	 3.7315560237	-2.2409969195	-1.3302775856	-0.006914
+C	 4.6388391278	-2.3053275124	-2.5615659333	 0.136433
+O	 5.5144836155	-3.1146422453	-2.7098192881	-0.240576
+C	 2.5211322597	-3.1229523219	-1.5191437356	-0.115118
+C	 1.4249600263	-2.3739221904	-1.5070610502	-0.097675
+H	 1.1664144681	 1.4982662189	 1.1834153379	 0.112658
+H	 2.6888756689	 1.1731574757	 0.3351203337	 0.136903
+H	 1.2825590827	 1.7627155348	-0.5620668901	 0.113127
+H	 1.4517043056	-0.9723156653	 0.8581658266	 0.102558
+H	 0.0717578559	-0.394713054	-0.073650154	 0.094494
+H	 1.4793830484	-0.2982309243	-2.1185441777	 0.086344
+H	 4.3316535516	-2.5282070097	-0.4543602352	 0.111015
+H	 4.3899108578	-1.5346080848	-3.3256332296	 0.08739
+H	 2.5964377792	-4.1932319717	-1.6563494406	 0.126733
+H	 0.40508157	-2.7187594664	-1.6220756843	 0.115407
+19
+0 5675	2.717616	1.1320609	0.9489307	3.3482	78.7	-0.24033	-0.02884	0.21148999999999998	1296.3893	0.155879	-422.563665	-422.554528	-422.553584	-422.598446	32.551
+C	 1.3125227631	-0.3332186467	-0.0362829886	-0.238274
+O	-0.0456102699	-0.3444253079	 0.3443551377	-0.250026
+C	-0.3866419516	 0.6585777512	 1.2988109053	 0.095913
+C	-0.0740051513	 0.2419264955	 2.7596016425	-0.274806
+C	-1.3948481136	-0.3496512539	 3.3188386018	-0.11577
+C	-1.4305952501	-1.869728373	 3.1954312605	 0.153021
+O	-1.7971391224	-2.62153487	 4.060079507	-0.251904
+C	-2.4336321023	 0.2479257304	 2.3902846868	-0.083705
+C	-1.8898740108	 0.7925008224	 1.3034701555	-0.079596
+H	 1.9883873941	-0.5407778358	 0.8072494123	 0.105905
+H	 1.4432854933	-1.1165389993	-0.7866718909	 0.131267
+H	 1.6017924804	 0.6336298931	-0.4766579591	 0.10655
+H	 0.1246385103	 1.5938697731	 1.0241654554	 0.067477
+H	 0.7673286691	-0.4557053917	 2.8087477379	 0.111855
+H	 0.1953640311	 1.122068748	 3.3502601955	 0.114271
+H	-1.5684455556	-0.1009502444	 4.3696853969	 0.093256
+H	-1.0896810777	-2.2355529585	 2.2007176211	 0.093623
+H	-3.4949169832	 0.176699243	 2.5999118177	 0.113631
+H	-2.4301866232	 1.2366065246	 0.4761986847	 0.107312
+19
+0 5676	2.8978087	1.0008143	0.8494846	3.223	78.29	-0.2393	-0.02726	0.21204	1378.3824	0.156252	-422.577007	-422.567752	-422.566808	-422.612454	32.94
+O	-1.8841108211	 1.5340463111	 0.4719613466	-0.418979
+C	-0.9506976119	 0.6752031987	-0.1644994693	-0.085186
+C	-1.0537922106	 0.9140049113	-1.6727818833	-0.0115
+C	-0.6146188275	 2.3460272409	-2.0990535131	-0.267237
+C	 0.6782020713	 2.1930964122	-2.9570127202	-0.105314
+C	 1.911450861	 2.7228639117	-2.2416148204	 0.157105
+O	 2.7521450474	 3.4267981919	-2.7354757984	-0.249255
+C	 0.7924308132	 0.6932036778	-3.1442717752	-0.095745
+C	-0.1282828796	 0.0185888134	-2.4591479169	-0.087025
+H	-1.7849885305	 1.438328081	 1.4235940477	 0.289346
+H	 0.0791469995	 0.8814224431	 0.1704216385	 0.086645
+H	-1.1631618519	-0.3827587321	 0.0587733096	 0.086893
+H	-2.102372208	 0.732734895	-1.941838991	 0.089909
+H	-1.3912157314	 2.8300701231	-2.6944158473	 0.116678
+H	-0.4592810373	 2.9802231708	-1.2210609224	 0.118051
+H	 0.6191703215	 2.7215434084	-3.914217932	 0.095903
+H	 1.9908818855	 2.3836852847	-1.1804758265	 0.069151
+H	 1.5627346357	 0.2539864845	-3.7683316903	 0.109904
+H	-0.2217196752	-1.0626533976	-2.4491340461	 0.100656
+19
+0 5677	3.0422955	0.9156539	0.7802089	2.5981	77.72	-0.24992	0.04439	0.29431	1481.5981	0.155165	-422.505861	-422.496295	-422.495351	-422.541326	34.576
+O	 4.1071899919	-3.9008753891	 2.3068639582	-0.419819
+C	 4.7985119655	-2.8653810585	 1.6407021384	-0.06487
+C	 4.4312772266	-1.5150531301	 2.2305848998	 0.140289
+C	 4.6982192255	-0.2460334166	 1.3968217267	-0.348763
+C	 3.1657377951	-0.0616941135	 1.4413574851	 0.168165
+C	 2.4235789179	-0.0242188337	 0.1035579827	-0.368413
+C	 0.9745016415	-0.0251346587	 0.2563557816	 0.300427
+C	-0.2179044929	-0.0173089133	 0.4035259533	-0.435311
+O	 2.9941338729	-1.3136975097	 2.1457394044	-0.318751
+H	 3.1752038077	-3.6491926285	 2.2908190431	 0.29619
+H	 5.8709091504	-3.0564153182	 1.7641257365	 0.107856
+H	 4.5789798491	-2.8615310195	 0.5595987535	 0.078968
+H	 4.7614379955	-1.460876393	 3.2755373116	 0.086012
+H	 5.2881880889	 0.5341625041	 1.8778112399	 0.115882
+H	 5.1008787197	-0.4401255808	 0.3986961172	 0.109682
+H	 2.8333635945	 0.7763702259	 2.0663029283	 0.091384
+H	 2.7418868874	 0.8777993522	-0.4372663741	 0.132156
+H	 2.7400956699	-0.8837678008	-0.5002052246	 0.13098
+H	-1.2723007769	-0.0168892683	 0.5280402885	 0.197935
+19
+0 5678	1.8497392	1.2162161	0.8694411	2.3574	81.	-0.25152	0.02663	0.27815	1426.2772	0.153233	-422.512797	-422.50198	-422.501036	-422.550446	37.085
+C	 1.4979325021	 0.019767364	 0.1170658392	-0.504496
+C	 0.0422459036	 0.0297504466	 0.1187895101	 0.127191
+C	-1.1631853312	 0.0337500474	 0.1002795294	 0.003604
+C	-2.6096001618	 0.003147354	 0.1326524515	 0.199527
+C	-3.2199674463	-1.1746046395	 0.8650160102	-0.470009
+O	-3.2834323339	 0.3661978775	-1.0933230164	-0.283501
+C	-3.3642109351	 1.2723261493	 0.0064221192	-0.010409
+C	-2.6549415472	 2.6020684858	-0.1418836137	-0.110585
+O	-2.2391823716	 3.1051320433	 1.1174740312	-0.418986
+H	 1.894937106	-0.036071744	 1.136521763	 0.153023
+H	 1.8859887235	-0.8409227578	-0.4383202187	 0.156771
+H	 1.9001788892	 0.9260247266	-0.3481192648	 0.155876
+H	-2.8820222516	-1.1985036744	 1.9053715438	 0.129627
+H	-4.3102256772	-1.1052872972	 0.8452280158	 0.130376
+H	-2.9207340645	-2.1129762767	 0.3888473086	 0.13593
+H	-4.3378925183	 1.3109264852	 0.4982925654	 0.09498
+H	-1.8185507868	 2.4797414809	-0.8418634022	 0.109474
+H	-3.3392999455	 3.3471056734	-0.5604427517	 0.113584
+H	-1.5482270834	 2.5138497056	 1.4369743701	 0.288024
+19
+0 5679	3.011954	0.8470614	0.8000105	2.7405	82.15	-0.22798	0.04241	0.27039	1541.6463	0.154406	-422.512242	-422.501828	-422.500884	-422.549244	36.809
+C	 1.4298005868	 0.0446180374	-0.0165971164	-0.501509
+C	-0.0251860574	 0.0289012687	 0.0177199945	 0.085709
+C	-1.2299306293	 0.0281736336	 0.0495002644	 0.040852
+C	-2.6716949562	 0.0375064749	 0.0684473879	 0.201814
+O	-3.2846097446	 1.1231070434	-0.5740111382	-0.459289
+C	-3.4079318914	-0.4942943096	 1.2767420819	-0.330133
+C	-3.4176796297	-1.2908826898	-0.0074382344	-0.113565
+C	-4.6383441716	-1.3268515977	-0.8991854032	-0.096943
+O	-4.3207360042	-0.9895960419	-2.2560242563	-0.422099
+H	 1.8547476544	 0.00925847	 0.9928464803	 0.147717
+H	 1.8306909066	-0.8080735331	-0.5762992192	 0.143872
+H	 1.798940341	 0.957571529	-0.496977542	 0.152321
+H	-3.4436380181	 0.8439018148	-1.487233881	 0.292134
+H	-2.8239594769	-0.8667369841	 2.1095473811	 0.123064
+H	-4.3125113424	 0.0419655906	 1.5421784689	 0.126768
+H	-2.7931965749	-2.1798098653	-0.0297229487	 0.09581
+H	-5.1282144148	-2.309385863	-0.8474079152	 0.099757
+H	-5.3657293713	-0.5754729101	-0.5859359617	 0.126194
+H	-3.661449546	-1.6180123479	-2.5691517328	 0.287527
+19
+0 5680	1.9724786	1.176007	0.8831601	1.3526	82.38	-0.2198	0.03946	0.25926	1418.6005	0.152992	-422.496013	-422.48527	-422.484326	-422.532971	37.211
+C	-2.2488644299	 3.0771671391	-0.7714408426	-0.240248
+O	-2.6463679006	 2.4555328703	 0.4395490641	-0.229965
+C	-3.3311594853	 1.2720450701	 0.235847916	 0.092372
+C	-3.3073587265	 0.2736857874	 1.3478784351	-0.380281
+C	-2.5785886089	-0.0323910888	 0.036029975	 0.146775
+O	-3.2172550536	-0.9091112288	-0.8573483372	-0.445207
+C	-1.1410987828	-0.0504926455	 0.0242342712	 0.108989
+C	 0.0623354578	-0.1164594273	-0.0049049849	 0.005711
+C	 1.5158489375	-0.1797233593	-0.0405166446	-0.500851
+H	-1.5659492304	 2.4369325715	-1.3435627121	 0.125664
+H	-3.1186787335	 3.3206238402	-1.3996609999	 0.107196
+H	-1.7366697893	 4.002841759	-0.4999378558	 0.125604
+H	-4.2448978626	 1.3508993109	-0.3563339699	 0.098212
+H	-2.6932879013	 0.5146240089	 2.2075723537	 0.133314
+H	-4.2120633046	-0.2901735855	 1.5444493486	 0.119717
+H	-2.9915157556	-1.8083883964	-0.5928009733	 0.284255
+H	 1.902239872	-0.9777731206	 0.6034443423	 0.146792
+H	 1.8808949472	-0.3655806067	-1.0567764924	 0.149559
+H	 1.9570725005	 0.7633268316	 0.3008400966	 0.152393
+19
+0 5681	3.1253153	0.8703624	0.8270506	1.6506	77.14	-0.26192	0.04238	0.3043	1467.1312	0.153326	-422.508301	-422.49802	-422.497076	-422.544094	36.899
+C	 2.9112927309	-1.5176471265	 1.9344152108	-0.466217
+C	 2.798623384	-0.0597077744	 1.5515264052	 0.38392
+C	 2.4383943991	 0.18943683	 0.0833298839	-0.418352
+C	 1.1078997491	-0.2913024046	-0.2697108067	 0.3123
+C	 0.0074013518	-0.6913589935	-0.5406482097	-0.458728
+O	 3.8421132355	 0.8060616296	 2.0193536031	-0.310298
+C	 2.5013226142	 1.0183463167	 2.5107818817	-0.008845
+C	 2.3228066949	 0.86089188	 4.0001503256	-0.093477
+O	 2.9101640478	 1.9511050859	 4.6921482799	-0.416773
+H	 3.2092846711	-1.6441570882	 2.9752792665	 0.129823
+H	 1.9574855465	-2.0274343058	 1.771250874	 0.142037
+H	 3.6647019738	-2.0061913529	 1.306525836	 0.127299
+H	 2.5191000966	 1.2635269609	-0.1163250575	 0.141938
+H	 3.1905674783	-0.3015734869	-0.5485625968	 0.135704
+H	-0.9642341032	-1.0399223556	-0.7896542537	 0.200121
+H	 2.0352723515	 1.9230212871	 2.114936077	 0.095651
+H	 1.2557879966	 0.8789192466	 4.2475016115	 0.117057
+H	 2.7331526685	-0.0972660241	 4.3446482745	 0.093534
+H	 3.839294953	 1.9731308657	 4.4360806048	 0.293306
+19
+0 5682	2.0019641	1.4412264	1.0150514	1.4694	77.61	-0.22789	0.04168	0.26957000000000003	1234.1862	0.153277	-422.494166	-422.484115	-422.483171	-422.528906	36.859
+C	 1.3651612362	-0.2635693132	 0.0046969739	-0.247192
+O	-0.0457784355	-0.121114439	-0.0054030141	-0.233454
+C	-0.5338154459	 0.5172074276	 1.1307864087	 0.058288
+C	-1.9324935136	 1.0648657455	 1.0389146291	-0.371844
+C	-0.7732900116	 2.0169771017	 1.140299643	 0.356846
+O	-0.6778293334	 2.6811811733	 2.3663777862	-0.460245
+C	-0.3867067586	 2.8502304132	-0.0769902178	-0.406059
+C	 0.9353101752	 3.4501996169	 0.0893429013	 0.282461
+C	 2.0190235431	 3.9327591579	 0.2910368841	-0.450226
+H	 1.6977329636	-0.8665044409	 0.8628262856	 0.108816
+H	 1.640595425	-0.7800652676	-0.9176480407	 0.127059
+H	 1.8722704622	 0.7096354751	 0.042498808	 0.123482
+H	-0.2261783822	 0.0772780441	 2.0807910194	 0.089461
+H	-2.4274408392	 0.9739309547	 0.0779455945	 0.124465
+H	-2.5742832721	 0.9714815448	 1.9069360596	 0.127379
+H	 0.2290804985	 3.0051198859	 2.4440364675	 0.284492
+H	-0.4008698683	 2.2110440606	-0.9656039682	 0.147044
+H	-1.1300583701	 3.6429459101	-0.2273239867	 0.138356
+H	 2.9767665966	 4.3693908892	 0.4328827165	 0.200872
+19
+0 5683	3.6922801	0.9207521	0.8584939	2.5832	77.5	-0.25493	0.03559	0.29052	1391.7764	0.154372	-422.511901	-422.501982	-422.501037	-422.546819	36.698
+O	 5.7701695927	-1.7420228416	 2.2003232262	-0.429289
+C	 5.4054608335	-0.5086736359	 2.7967024721	-0.074865
+C	 4.5432087596	 0.3361262604	 1.8765992564	-0.093924
+C	 3.3350401456	 1.0798933269	 2.4297802715	-0.353341
+C	 3.1593868012	-0.1451337521	 1.5689853086	 0.413463
+O	 2.8185575783	-1.3567797398	 2.1921790987	-0.476488
+C	 2.5969285716	-0.0151045457	 0.1573888065	-0.405046
+C	 1.1397621766	-0.1217000896	 0.1593555658	 0.274599
+C	-0.054795624	-0.2441775355	 0.2278643235	-0.437218
+H	 4.9446991575	-2.2262654429	 2.0789475937	 0.292595
+H	 4.8814973121	-0.6683995854	 3.7491256663	 0.091639
+H	 6.3405407835	 0.0154938346	 3.0200831716	 0.106154
+H	 5.0769489913	 0.8036823884	 1.0534017908	 0.091856
+H	 3.133907153	 0.9652162096	 3.4896409503	 0.118086
+H	 3.0815392474	 2.0519121349	 2.0203730173	 0.113573
+H	 1.8548650202	-1.413685414	 2.2145418674	 0.291447
+H	 2.9066693781	 0.9411470556	-0.2789342402	 0.13319
+H	 3.0220133244	-0.8071613564	-0.4721622739	 0.141451
+H	-1.1127994226	-0.3332166117	 0.2551386478	 0.202118
+19
+0 5684	2.5403649	1.0969126	0.8964876	3.2876	78.82	-0.24773	-0.03501	0.21272000000000002	1360.4752	0.154149	-422.569495	-422.559658	-422.558714	-422.60453	34.711
+C	 3.1202568001	-2.9495923988	-0.2877492862	-0.377956
+C	 3.1258643154	-2.0131059414	-1.5032702484	-0.217825
+C	 2.3560498244	-0.7398575784	-1.2210486176	-0.02466
+C	 0.9003045766	-0.6200478881	-1.4247335855	-0.315037
+C	 1.8176095983	 0.1682837664	-2.3715228528	 0.099552
+C	 1.9149237302	-0.2857567039	-3.7876578847	 0.08502
+O	 1.6350233821	-1.3990883459	-4.1709569036	-0.276644
+C	 1.9630421905	 1.6253894321	-2.1292414292	 0.105835
+O	 2.2062996768	 2.4490229377	-2.9767546379	-0.265716
+H	 3.6876715653	-3.8602318221	-0.5003217011	 0.121972
+H	 3.5710595113	-2.4726151393	 0.589518758	 0.115474
+H	 2.1001820333	-3.2433113769	-0.0200926036	 0.122955
+H	 4.1595521522	-1.758752979	-1.7670408961	 0.106427
+H	 2.6923832526	-2.5172521768	-2.3698652666	 0.14297
+H	 2.7619728715	-0.1484977955	-0.4009220387	 0.102659
+H	 0.3887740882	-1.4409524839	-1.9167694473	 0.154389
+H	 0.3021071022	-0.0413216666	-0.7285522232	 0.12974
+H	 2.2644809044	 0.4978102679	-4.4855902198	 0.118108
+H	 1.8328829346	 1.9201345125	-1.0607120458	 0.072737
+19
+0 5685	1.9414599	1.249938	1.1410956	1.7774	77.23	-0.26249	0.01629	0.27878000000000003	1251.1198	0.153387	-422.505088	-422.494778	-422.493834	-422.540936	36.858
+C	 1.0380078119	 1.1431989493	 0.2876888004	-0.388256
+C	 0.8810535736	-0.3485621865	-0.0236646767	-0.270214
+C	 1.7348551725	-0.8061553854	-1.1962926734	 0.207549
+O	 1.2880009965	-2.012815434	-1.8477992942	-0.291047
+C	 1.1777347906	-0.786690134	-2.5700699433	-0.012586
+C	 2.0600450752	-0.6162123541	-3.7888366556	-0.113943
+O	 2.3300824161	 0.7539363045	-4.0352879455	-0.417329
+C	 3.1658354611	-0.6831267779	-1.0183203571	 0.298044
+C	 4.3470709573	-0.5393207358	-0.840657049	-0.440181
+H	 0.4069383914	 1.4283050947	 1.1340501305	 0.121263
+H	 2.07403686	 1.3849051205	 0.5424630943	 0.131017
+H	 0.7499305061	 1.7588464558	-0.5708922425	 0.122094
+H	 1.1480235253	-0.9474195675	 0.8547097227	 0.116028
+H	-0.1594626626	-0.5865409058	-0.2666483219	 0.11486
+H	 0.1597601826	-0.4062291206	-2.6716432784	 0.098703
+H	 2.9741471033	-1.2079508502	-3.6534338802	 0.113014
+H	 1.5433373468	-0.9932322226	-4.6773302511	 0.116497
+H	 2.9093989224	 1.0579285398	-3.3276909834	 0.290031
+H	 5.3927162199	-0.4341660301	-0.6843562958	 0.204455
+19
+0 5686	1.9925434	1.1893523	1.0864939	1.6035	77.75	-0.25928	0.01506	0.27434000000000003	1290.7121	0.153375	-422.504916	-422.494597	-422.493653	-422.540565	36.867
+C	 0.6338731085	-0.4212667469	 0.8136961018	-0.382765
+C	 0.8631449663	 0.2329055933	-0.5540354503	-0.232754
+C	 1.7529059328	-0.6059234203	-1.4365247504	 0.041825
+O	 2.3096082713	 0.013279258	-2.6004468813	-0.290679
+C	 3.2138418237	-0.4013599452	-1.5626697908	 0.171545
+C	 4.1268717125	-1.5636236999	-1.9415483559	-0.152122
+O	 4.7252912945	-2.1633281104	-0.811464687	-0.409542
+C	 3.8819403377	 0.644128682	-0.8214581176	 0.280372
+C	 4.5154103002	 1.4568965936	-0.1999030782	-0.437813
+H	 0.1848326465	-1.4150737794	 0.710909224	 0.119652
+H	 1.5764860324	-0.5358674204	 1.3577616756	 0.12995
+H	-0.0386446356	 0.1855314172	 1.4262680799	 0.120029
+H	-0.0952434919	 0.3754864393	-1.0686451582	 0.110007
+H	 1.3114566061	 1.2239053106	-0.4364047724	 0.118615
+H	 1.4073762549	-1.6285475925	-1.6070855393	 0.09489
+H	 3.5289264732	-2.3339352263	-2.4356687559	 0.121391
+H	 4.875661183	-1.2028016518	-2.6629726183	 0.10372
+H	 5.2465543035	-1.4843261173	-0.3675153115	 0.288779
+H	 5.0500510605	 2.1967248763	 0.3439452457	 0.204899
+19
+0 5687	2.2271474	1.2563588	1.0896812	1.8736	79.01	-0.23919	0.03544	0.27463000000000004	1228.0503	0.153853	-422.489679	-422.47959	-422.478646	-422.524272	36.858
+C	 1.4552271734	-0.0120222721	-0.0659916581	-0.270594
+O	 0.0329645836	 0.0781772259	 0.0081315641	-0.27976
+C	-0.4410671808	 0.6592619025	 1.1848005883	 0.246634
+C	-1.8397908719	 0.2366550483	 1.5604799411	-0.354905
+C	-0.6791432852	-0.2488807995	 2.3943537661	-0.107427
+C	-0.2815730602	-1.7050850821	 2.3477789548	-0.079422
+O	 1.0838404735	-1.9330416304	 2.6779599588	-0.411002
+C	-0.0353719237	 2.0223317628	 1.4284859201	 0.300825
+C	 0.3181959889	 3.1549720178	 1.6272842752	-0.475321
+H	 1.8546813511	-0.6089355345	 0.7615415193	 0.138619
+H	 1.6797300034	-0.4989012901	-1.0172842273	 0.123682
+H	 1.9136279803	 0.9846544594	-0.0541829281	 0.119546
+H	-2.5098721984	 0.9831270962	 1.9687019314	 0.12711
+H	-2.2964000218	-0.4755264294	 0.8811544283	 0.130876
+H	-0.555861235	 0.2302721745	 3.3632605421	 0.091603
+H	-0.9449224183	-2.2838925981	 3.0095532391	 0.094658
+H	-0.4089538259	-2.0895314655	 1.3329112633	 0.126775
+H	 1.2391860261	-1.5824804512	 3.56097752	 0.282097
+H	 0.622781631	 4.1576802457	 1.7987525316	 0.196006
+19
+0 5688	2.4099651	1.2122969	0.9632132	3.2092	79.5	-0.24592	0.04859	0.29451	1294.268	0.153943	-422.491932	-422.481783	-422.480839	-422.527087	36.588
+C	 1.2901945608	-0.0419357873	-0.2671955401	-0.237209
+O	-0.1001828764	 0.0481282289	-0.0077998998	-0.251759
+C	-0.3962018974	 0.5635493766	 1.2535880643	 0.093898
+C	-0.4275932192	-0.3464740344	 2.4477538804	-0.36287
+C	-1.7364823187	 0.154228548	 1.8233726317	 0.041441
+C	-2.5463057532	-0.8373479614	 0.9818669697	-0.117485
+O	-3.0289133973	-0.2567578562	-0.2099444545	-0.421093
+C	-2.4907690163	 1.1540799484	 2.5286908026	 0.279274
+C	-3.1251220976	 1.9810039704	 3.1291264067	-0.43863
+H	 1.7902055602	-0.7006600306	 0.455657584	 0.11741
+H	 1.4031840871	-0.454879934	-1.2716324217	 0.13471
+H	 1.7682837264	 0.9472595812	-0.22970135	 0.116381
+H	-0.080030064	 1.5953015436	 1.404557904	 0.105567
+H	-0.1947462709	-1.3937393008	 2.2870863698	 0.123706
+H	-0.1390833797	 0.0523054974	 3.4129271858	 0.12825
+H	-1.9247609845	-1.7193326446	 0.7766174054	 0.087734
+H	-3.4218200889	-1.1648366697	 1.5496313258	 0.116129
+H	-2.2477656234	-0.0163584361	-0.7227963468	 0.293444
+H	-3.6919620567	 2.7136363807	 3.6477323626	 0.191101
+19
+0 5689	2.5876901	1.1923861	0.9722632	1.5991	80.07	-0.23948	0.03463	0.27411	1294.0046	0.1527	-422.470793	-422.460467	-422.459523	-422.50602	36.723
+C	 1.3705931702	-0.0553043404	-0.1947742595	-0.232172
+O	-0.0150995889	 0.16584353	-0.0071862572	-0.23852
+C	-0.3300456441	 0.605939975	 1.2678911688	 0.054899
+C	-0.4344268648	-0.3901961218	 2.3965516707	-0.387547
+C	-1.6987315207	 0.2034230588	 1.8035249771	 0.206812
+O	-2.4504389017	-0.7001512305	 1.0578122568	-0.263981
+C	-3.1437239777	-0.1058604803	-0.0342750182	-0.254615
+C	-2.4432898101	 1.1815732643	 2.5594877645	 0.311587
+C	-3.0734204505	 1.9989237029	 3.1775791513	-0.482139
+H	 1.7551927053	-0.8163203958	 0.498377382	 0.113396
+H	 1.5016243406	-0.4040414728	-1.2213442286	 0.131579
+H	 1.949792822	 0.8693073594	-0.0539884773	 0.109376
+H	 0.0181854956	 1.611390714	 1.5086059845	 0.09979
+H	-0.2798585668	-1.4308269929	 2.1341749995	 0.136894
+H	-0.1436955763	-0.0992213975	 3.3987035233	 0.126349
+H	-3.6979974916	-0.9116414338	-0.52006969	 0.124704
+H	-3.8509691432	 0.6587501641	 0.3122845174	 0.11719
+H	-2.4428623536	 0.3402700429	-0.7482484469	 0.129913
+H	-3.6294246838	 2.7164712644	 3.7287079217	 0.196487
+19
+0 5690	1.8960874	1.2845337	1.1858037	2.4259	78.01	-0.25744	0.03285	0.29029	1215.8116	0.154435	-422.510768	-422.500587	-422.499642	-422.546123	36.913
+O	 1.4444802853	 0.7773726399	 0.3883351302	-0.419925
+C	 0.3688819423	-0.1164894048	 0.6080311931	-0.083131
+C	-0.9282057738	 0.6034971791	 0.9011554608	-0.056069
+C	-1.9723345634	-0.0245440707	 1.7778386571	-0.345432
+C	-1.189133172	 1.1731485839	 2.2935450924	 0.125121
+C	-1.9059291299	 2.5163491528	 2.3959527853	-0.127081
+O	-1.0257014068	 3.6154027751	 2.2776792826	-0.413585
+C	-0.1899550977	 0.9846067172	 3.3121705444	 0.248316
+C	 0.6604192418	 0.9122763452	 4.163104725	-0.469688
+H	 1.5536255805	 1.2880484285	 1.1985702092	 0.287038
+H	 0.2678777624	-0.7007449011	-0.3130239921	 0.11141
+H	 0.591114791	-0.8237802072	 1.421506824	 0.092339
+H	-1.2767584284	 1.2407133331	 0.0929813498	 0.106965
+H	-3.0197746011	 0.1356904733	 1.544320365	 0.121988
+H	-1.7536922832	-0.9893606712	 2.2221308673	 0.127122
+H	-2.6215117816	 2.6054211567	 1.5723902506	 0.108936
+H	-2.473273747	 2.5542434372	 3.3387704499	 0.096447
+H	-0.3918218557	 3.5521022683	 3.001371857	 0.286826
+H	 1.3954595275	 0.8107958146	 4.9232967582	 0.202404
+19
+0 5691	3.2112029	1.2440298	1.0438236	0.4014	75.98	-0.24832	0.07478	0.3231	1207.8061	0.15557	-422.462631	-422.454248	-422.453304	-422.495872	31.644
+C	 2.392428807	-1.8180444477	 0.8959057676	-0.383159
+C	 1.467734824	-1.0231365625	-0.0359742568	-0.21467
+C	 2.2194149174	-0.5031605181	-1.2355868285	-0.082696
+O	 1.4321086168	-0.1036914913	-2.4033687609	-0.313659
+C	 2.2694517528	-1.2200482545	-2.492990936	 0.527878
+C	 3.3341083064	-1.5887284777	-3.5410381706	-0.056412
+C	 2.2037949362	-2.1604767251	-4.4347835842	-0.229706
+C	 1.9668351292	-2.6489300281	-2.9824882413	-0.053169
+O	 3.4231077915	-2.9085258868	-2.8654437388	-0.31214
+H	 1.8388192862	-2.2176132987	 1.7501891993	 0.118255
+H	 2.855833704	-2.6538026408	 0.3622359337	 0.136705
+H	 3.1983773063	-1.1879243685	 1.2873708253	 0.119362
+H	 0.641194734	-1.6516466207	-0.3844172397	 0.104092
+H	 1.0187555355	-0.1799522561	 0.5030025158	 0.108096
+H	 3.032391854	 0.1913559017	-1.0164528005	 0.09867
+H	 4.2651998192	-1.095511135	-3.8166537861	 0.102595
+H	 1.4851022094	-1.4583521331	-4.8635450188	 0.117882
+H	 2.52353484	-2.9393254719	-5.1280591196	 0.110014
+H	 1.2838245901	-3.4074070751	-2.6023621798	 0.102062
+19
+0 5692	3.1010205	1.3645128	1.1088911	1.28	76.86	-0.23729	0.07628	0.31357	1139.7817	0.155641	-422.442506	-422.434175	-422.43323	-422.475434	31.528
+C	 1.519075222	-0.0183308547	-0.0061105909	-0.24625
+O	 0.1078004114	-0.1646711328	 0.045240068	-0.241408
+C	-0.4442497972	 0.4877329854	 1.1433527255	 0.000734
+C	-1.9047384503	 0.87604155	 1.0418759851	-0.429239
+C	-0.8285178281	 1.9181913801	 1.0230671101	 0.437979
+C	-0.475476991	 3.1924331241	 1.80352863	-0.054822
+C	-1.3084657426	 4.016744976	 0.7897056873	-0.217384
+C	-0.4287352796	 3.0016257948	 0.0158004835	-0.036438
+O	 0.7045050115	 3.3607169607	 0.9119431546	-0.311981
+H	 2.0050090584	-0.555734177	 0.8226756464	 0.104842
+H	 1.8528245841	-0.4529038077	-0.9512381368	 0.122291
+H	 1.812390758	 1.0377934102	 0.0474263795	 0.132971
+H	-0.0852148572	 0.1324611078	 2.1123292577	 0.083581
+H	-2.3953144471	 0.651371326	 0.0999237248	 0.129201
+H	-2.5293606692	 0.7555451571	 1.9212811013	 0.117014
+H	-0.3253757907	 3.3413722765	 2.872916856	 0.097173
+H	-2.3910442254	 3.8718204707	 0.7766352561	 0.102345
+H	-1.0055785642	 5.0594397556	 0.6860325101	 0.106917
+H	-0.2262149929	 2.9203340271	-1.0515276784	 0.102476
+19
+0 5693	2.8843029	1.4635993	1.1401637	3.4546	76.21	-0.24799	0.07174	0.31972999999999996	1105.4556	0.15683	-422.462239	-422.454208	-422.453263	-422.494812	31.238
+O	 1.756707254	 0.5723157116	 0.3518244227	-0.433925
+C	 0.5335354212	-0.1366296376	 0.4466958683	-0.064001
+C	-0.4316111769	 0.5840919225	 1.3576081421	-0.137218
+C	-1.4224059969	-0.1392642191	 2.2706749666	-0.420898
+C	-0.1915975343	 0.493248797	 2.8207886947	 0.459857
+C	 1.0274455203	-0.0267840335	 3.6003467865	-0.048512
+C	 0.3697696154	 0.4517797865	 4.917131015	-0.219973
+C	 0.2080118571	 1.5588528619	 3.8475962704	-0.052924
+O	 1.6321776042	 1.3275889286	 3.4513535834	-0.313289
+H	 1.9420082387	 0.9383594838	 1.2292527551	 0.288918
+H	 0.1369182093	-0.22294669	-0.5713711032	 0.103306
+H	 0.6886435958	-1.1640666622	 0.8207652628	 0.071177
+H	-0.7565918645	 1.5539949901	 0.9878388641	 0.097142
+H	-2.3864983865	 0.3300870982	 2.4377364947	 0.120471
+H	-1.4577264644	-1.2242397394	 2.2290738872	 0.12015
+H	 1.6704250371	-0.8866041875	 3.414712726	 0.108787
+H	-0.5320616499	-0.0641608738	 5.253192139	 0.106142
+H	 1.0664728504	 0.682662983	 5.7236706848	 0.111314
+H	-0.1201897501	 2.5928151997	 3.9492333197	 0.103476
+19
+0 5694	3.2934369	1.2084341	1.0316117	2.1293	75.89	-0.25808	0.04993	0.30801	1200.3642	0.156871	-422.48062	-422.472397	-422.471453	-422.513826	31.335
+O	 1.6521567808	-0.2710878055	 0.7809747232	-0.412005
+C	 0.6658518605	 0.5178637107	 0.1331965332	-0.098063
+C	-0.2289372967	 1.2168247079	 1.1330579252	-0.150905
+O	-1.4697951447	 1.7609350275	 0.6003848893	-0.324144
+C	-1.5335405393	 0.6904452467	 1.5080317256	 0.567841
+C	-2.3690443186	 0.6040446861	 2.7939390004	-0.146564
+C	-1.930843655	-0.8924141276	 2.842100761	-0.222641
+C	-2.2940288513	-0.6375408397	 1.3453771077	-0.156527
+C	-3.5433644944	 0.1432866128	 1.8694095655	-0.22519
+H	 1.1983814492	-0.9764219319	 1.253850915	 0.286
+H	 1.2142466876	 1.2582335047	-0.4582973392	 0.120492
+H	 0.0461446472	-0.0684198139	-0.560434282	 0.097261
+H	 0.287916182	 1.8828228527	 1.8253356464	 0.100757
+H	-2.4070784452	 1.3138647712	 3.6194058213	 0.083657
+H	-0.8822574426	-1.095721575	 3.0784329228	 0.087395
+H	-2.6024900075	-1.5639468184	 3.3811435023	 0.101133
+H	-2.2530091134	-1.3463964026	 0.5186274416	 0.081467
+H	-3.9668293054	 0.8956560751	 1.2020951971	 0.115832
+H	-4.3170898733	-0.4628724806	 2.3474197638	 0.094203
+19
+0 5695	3.0602603	1.0472373	0.9031499	4.232	76.54	-0.26888	0.01134	0.28022	1346.1965	0.155651	-422.567967	-422.559038	-422.558094	-422.601971	32.971
+C	 0.5759518499	 0.7354248275	 0.3886584906	-0.377556
+C	 0.8555189362	-0.7312739345	 0.0410672315	-0.199112
+C	 1.7653421255	-0.8904862248	-1.1601988145	-0.072013
+C	 1.8323086935	-2.2040274512	-1.9380689273	-0.378538
+C	 1.2175351179	-0.9907821427	-2.5407133579	 0.448932
+C	-0.1660366939	-0.7366421904	-3.1201956551	-0.502151
+C	 0.6281376769	-0.0436773704	-4.2329262809	 0.437507
+O	 0.412444772	 0.5331810118	-5.2483347667	-0.314165
+O	 1.8492088041	-0.3059735164	-3.6573075549	-0.259669
+H	-0.0767191087	 0.8170229039	 1.2630172132	 0.117715
+H	 1.5048449314	 1.2699087875	 0.6142881792	 0.12255
+H	 0.0913806381	 1.2581182162	-0.4426928609	 0.120013
+H	 1.3115395434	-1.2339251254	 0.9033517566	 0.106941
+H	-0.0900223518	-1.2560393313	-0.1478131368	 0.095886
+H	 2.7115820621	-0.357718189	-1.0931804347	 0.10566
+H	 2.798182191	-2.518429431	-2.317709791	 0.133746
+H	 1.1728596966	-3.0139200596	-1.6400285491	 0.12059
+H	-0.7253072812	-1.6135739352	-3.4515496147	 0.146437
+H	-0.8216324932	-0.0701033649	-2.5565676968	 0.147226
+19
+0 5696	4.8582387	0.8264452	0.7765877	2.5245	77.11	-0.24531	-0.02857	0.21674	1503.9271	0.153913	-422.544851	-422.535601	-422.534657	-422.579574	33.799
+C	 3.0188840873	-3.064606066	-0.021837214	-0.374874
+C	 2.3373861429	-2.7874695775	-1.3674311481	-0.211972
+C	 1.3607314086	-1.6408884089	-1.2839651072	-0.029298
+O	 1.9271885637	-0.3163432317	-1.1919478071	-0.290831
+C	 1.1813705097	-0.6511748413	-2.3473582367	 0.421089
+C	 1.764988252	-0.6162038873	-3.7719254178	-0.433737
+C	 0.4319869004	 0.0198351619	-4.2198082627	 0.404431
+O	-0.032601348	 0.2992496943	-5.2848183381	-0.285837
+C	-0.088614528	 0.108307476	-2.7705721049	-0.436417
+H	 3.7286606246	-3.8926556046	-0.1035401137	 0.116739
+H	 3.5629076939	-2.1796811203	 0.3208656159	 0.136346
+H	 2.2848453122	-3.3269928102	 0.7476646514	 0.117433
+H	 3.0912866518	-2.5593359594	-2.1287236767	 0.106475
+H	 1.7977067503	-3.6811034093	-1.7075618952	 0.103109
+H	 0.5206716011	-1.7956262111	-0.6019439016	 0.090761
+H	 2.6177935716	 0.0629864067	-3.8767349649	 0.146732
+H	 2.0133487764	-1.5697332108	-4.246467257	 0.136379
+H	-0.1215583007	 1.1368153353	-2.3947460514	 0.147478
+H	-1.0552257499	-0.367492766	-2.5830536503	 0.135994
+19
+0 5697	4.2238021	0.8942446	0.8241982	3.7281	77.89	-0.2406	-0.01892	0.22168000000000002	1428.594	0.154136	-422.52772	-422.518482	-422.517538	-422.562451	33.599
+C	 1.4466046155	-0.069353138	-0.0538413207	-0.231658
+O	 0.0385095887	 0.0428630956	 0.0223024873	-0.238608
+C	-0.39780581	 0.7279665623	 1.1499599969	 0.072316
+C	-0.4371629894	 2.2425375797	 1.1323861129	-0.390309
+C	-1.7041239395	 1.4330957284	 1.0255057346	 0.30178
+C	-2.6286746129	 1.3280121891	-0.2000522107	-0.410504
+C	-3.8068557253	 1.2115830275	 0.7861308579	 0.407684
+O	-4.9850078959	 1.0575440513	 0.6554958604	-0.286279
+C	-2.8826926666	 1.3691791631	 2.0136343861	-0.432532
+H	 1.8542841717	-0.623671727	 0.8047259354	 0.108724
+H	 1.676060201	-0.6175385425	-0.9703088286	 0.13011
+H	 1.9302595568	 0.9170293515	-0.0908144967	 0.111163
+H	-0.1615647438	 0.2380562978	 2.0975936135	 0.084879
+H	-0.2345002434	 2.778900391	 2.0543515503	 0.114482
+H	-0.0871477858	 2.7333371735	 0.2295033609	 0.120993
+H	-2.6827112677	 2.2145079905	-0.8406056428	 0.129198
+H	-2.4720889697	 0.4494157182	-0.8327141443	 0.146912
+H	-3.0762961276	 2.2871981476	 2.5792941988	 0.131041
+H	-2.8984699962	 0.5223753603	 2.7074964489	 0.130606
+19
+0 5698	2.8811762	1.0394371	0.8850159	2.3062	76.51	-0.24828	-0.02766	0.22062	1342.4285	0.154929	-422.543293	-422.534136	-422.533192	-422.577976	33.852
+O	-0.7860993809	-1.4005439886	 0.0221376805	-0.418393
+C	-0.1689708972	-0.1232325508	-0.0335653367	-0.074727
+C	-0.5172245155	 0.7508164416	 1.1475700322	-0.093519
+C	 0.3753899549	 1.9146229936	 1.5186339381	-0.364853
+C	 0.3068126683	 0.7092113912	 2.4078250776	 0.343544
+C	-0.2345348295	 0.6594216589	 3.8497900363	-0.42553
+C	 0.8958073422	-0.3385975396	 4.1693089942	 0.409953
+O	 1.2077330691	-0.9516118605	 5.1466188708	-0.282992
+C	 1.4647197329	-0.2575204111	 2.7372503874	-0.43028
+H	-0.535230627	-1.8124781308	 0.8550451691	 0.282057
+H	 0.927008229	-0.207722359	-0.1204501568	 0.084401
+H	-0.5289027405	 0.3338565156	-0.9616798912	 0.116296
+H	-1.5861836455	 0.8973352886	 1.2857969941	 0.094795
+H	 1.2800534712	 2.0622486343	 0.9352624567	 0.115996
+H	-0.092185255	 2.8341198127	 1.8555001495	 0.118161
+H	-0.1632291107	 1.5916258168	 4.4207107583	 0.133781
+H	-1.2420298841	 0.250374364	 3.9807244811	 0.133006
+H	 2.4712681894	 0.1722223839	 2.6955672844	 0.135787
+H	 1.4863074091	-1.2172488707	 2.2088678243	 0.122515
+19
+0 5699	4.3817515	0.9622288	0.9188338	3.2431	76.19	-0.25028	0.07384	0.32412	1348.418	0.155277	-422.494269	-422.485666	-422.484722	-422.527773	32.109
+C	 1.2660762513	 1.0546161293	 0.4444743541	-0.375643
+C	 0.8988060795	-0.3983926232	 0.1194095661	-0.210727
+C	 1.6869327251	-0.930311693	-1.0533645435	-0.040406
+O	 1.3039195527	-0.4436913408	-2.3559703249	-0.286927
+C	 1.1327949348	-1.817455996	-2.0787156963	 0.436928
+C	 1.8258477657	-2.9918386685	-2.8207987011	-0.358921
+C	 0.4687624759	-3.7136602705	-2.7580726697	 0.03252
+O	-0.4643210399	-2.8999309487	-3.467160989	-0.238091
+C	-0.1876594407	-2.567110774	-2.0966370982	-0.08052
+H	 0.6821035994	 1.4288732196	 1.2901450313	 0.115194
+H	 2.3267710517	 1.1465886361	 0.7023109729	 0.116335
+H	 1.0729509858	 1.6993684259	-0.4177322074	 0.138121
+H	 1.0885618856	-1.0393080366	 0.990378367	 0.100985
+H	-0.1705471241	-0.4698006998	-0.1061202116	 0.104711
+H	 2.7696085044	-0.9628136891	-0.9059245574	 0.08877
+H	 2.1780375722	-2.777994835	-3.8318100839	 0.126886
+H	 2.6196102254	-3.4593687407	-2.2326824764	 0.112651
+H	 0.2594132761	-4.7727143473	-2.673393929	 0.110336
+H	-1.0309343409	-2.5179637477	-1.4183214631	 0.107797
+19
+0 5700	4.0174097	1.0243689	0.9745583	2.2441	76.86	-0.24426	0.08521	0.32947	1286.3366	0.155284	-422.476905	-422.468291	-422.467347	-422.510354	32.07
+C	 1.3161261101	-0.1320197648	-0.0712961343	-0.230823
+O	-0.0857483351	-0.0175147903	 0.0764395524	-0.243004
+C	-0.4583480848	 0.6351960453	 1.2488458635	 0.051501
+C	-0.5179025375	-0.1467818457	 2.5454828511	-0.386614
+C	-1.7783187319	 0.2580609626	 1.8256694599	 0.315056
+C	-2.9214486701	 1.2180170537	 2.2458171792	-0.352695
+C	-3.8892046833	 0.2532867627	 1.5324846352	 0.040031
+O	-3.7501812564	-1.030129268	 2.1485380175	-0.249325
+C	-2.7893163992	-0.6483923233	 1.1503520236	-0.050416
+H	 1.7657108863	-0.7016820016	 0.7542410159	 0.111599
+H	 1.4986935781	-0.6562895143	-1.0121425746	 0.128175
+H	 1.799294405	 0.8557454341	-0.1141874861	 0.106992
+H	-0.1491148846	 1.6819515225	 1.3000003655	 0.083622
+H	-0.2422037239	-1.1957391583	 2.5067710071	 0.122881
+H	-0.261723982	 0.3611558562	 3.469825606	 0.114313
+H	-3.0992159968	 1.3376569671	 3.3176210355	 0.112005
+H	-2.8502702672	 2.1982757799	 1.7662620092	 0.109823
+H	-4.8283307866	 0.4734147453	 1.0390294407	 0.104551
+H	-2.6548169903	-1.3017927331	 0.2982367729	 0.112328
+19
+0 5701	4.8130836	1.012938	0.9496543	2.0627	77.5	-0.22565	0.06906	0.29470999999999997	1299.9685	0.154965	-422.466198	-422.457571	-422.456627	-422.499611	32.257
+C	 1.3944756867	-0.0010048868	-0.0975226369	-0.228598
+O	-0.0099053093	 0.0497088774	 0.0585592806	-0.23023
+C	-0.4044856123	 0.7361492024	 1.1943672884	 0.02992
+C	-0.4730143938	 2.2637541805	 1.1656269146	-0.406777
+C	-1.7215209284	 1.4332267507	 1.1549125779	 0.435822
+O	-2.5733572833	 1.3594319057	 0.0030771826	-0.303992
+C	-3.7019369086	 1.1491848882	 0.8631487586	 0.103765
+C	-3.9322204996	 2.3336750596	 1.7465742001	-0.299382
+C	-2.8745311304	 1.3074903096	 2.1179177316	-0.219114
+H	 1.8771058576	-0.5187617466	 0.7454683008	 0.104276
+H	 1.5939282262	-0.5567562677	-1.0165455035	 0.129516
+H	 1.8301201456	 1.0048550557	-0.1810934476	 0.109531
+H	-0.1128936535	 0.2694252077	 2.1394938291	 0.083147
+H	-0.2085074504	 2.8331491198	 2.0507347533	 0.114677
+H	-0.2184738895	 2.7253827713	 0.2168861486	 0.132094
+H	-4.4408141938	 0.420058488	 0.555278928	 0.108621
+H	-3.6454158015	 3.3233674145	 1.403139764	 0.119398
+H	-4.8295468916	 2.2937428171	 2.3567778537	 0.114318
+H	-2.8732108303	 0.7482962829	 3.0432664261	 0.103007
+19
+0 5702	2.8763244	1.2296505	1.0780045	2.6992	75.55	-0.24706	0.06587	0.31293	1186.406	0.156097	-422.492898	-422.484315	-422.483371	-422.526399	32.308
+O	 1.502561202	 0.0777503572	-0.368516995	-0.416815
+C	 0.132960404	 0.2752121224	-0.0365304262	-0.078661
+C	-0.7748825068	 0.3635220152	-1.2428360195	-0.118034
+C	-2.1378651922	-0.301609201	-1.2035782289	-0.359746
+C	-1.0464114013	-0.8646175376	-2.0614527267	 0.366356
+C	-0.9793204902	-0.974922281	-3.6076413673	-0.348822
+C	-0.2620884215	-2.3230396254	-3.4059496857	 0.03893
+O	-1.1298235597	-3.1679436613	-2.6438836047	-0.249497
+C	-0.3314721718	-2.2005675385	-1.9413640576	-0.061574
+H	 1.785888984	 0.8220575992	-0.9089552903	 0.280895
+H	-0.1430871234	-0.5909726377	 0.5737952765	 0.107701
+H	 0.0029862896	 1.1675042672	 0.5956371067	 0.092844
+H	-0.7119068204	 1.3012828296	-1.7936402569	 0.078978
+H	-2.4155685191	-0.837719192	-0.3010514706	 0.117526
+H	-2.9658313418	 0.1964522102	-1.6971896483	 0.115467
+H	-1.9297456825	-1.0323146638	-4.1447441314	 0.110722
+H	-0.3413147143	-0.2101502149	-4.0600202432	 0.104297
+H	 0.4734491632	-2.8031963216	-4.040283619	 0.104069
+H	 0.3336739023	-2.559886586	-1.166414192	 0.115364
+19
+0 5703	2.7183943	1.4956455	1.2007992	2.7232	75.33	-0.23576	0.06666	0.30242	1089.7622	0.15672	-422.489069	-422.480888	-422.479944	-422.521796	31.762
+O	 1.421654267	 0.327550054	-0.4324897774	-0.425542
+C	 0.0671743881	 0.4815804165	-0.0395659412	-0.08311
+C	-0.8702136529	 0.5537961113	-1.2355335965	-0.114706
+C	-2.1069799169	-0.3446075604	-1.2899119847	-0.392075
+C	-0.9121411135	-0.641064681	-2.1257374075	 0.477352
+O	-0.0586783576	-1.7831436895	-1.8497984832	-0.331941
+C	 0.073783311	-2.0056142476	-3.2644765818	 0.102271
+C	 0.7204870786	-0.8373362642	-3.9397794161	-0.309418
+C	-0.7635217931	-0.8012158501	-3.6169740137	-0.221723
+H	 1.4605289891	-0.5391166635	-0.858104007	 0.289513
+H	-0.2452546017	-0.3385036812	 0.6237771664	 0.091988
+H	 0.0139696692	 1.407138948	 0.5421102183	 0.10923
+H	-0.9339326528	 1.5214681088	-1.725582866	 0.095832
+H	-2.2893263705	-0.9909476833	-0.4369128833	 0.126379
+H	-3.0021978038	 0.0222514247	-1.7817641674	 0.117966
+H	 0.0751407447	-3.0321473007	-3.6091483087	 0.112586
+H	 1.4093492117	-0.2083166807	-3.3825841853	 0.130911
+H	 0.9576310895	-0.9773416184	-4.9898594486	 0.117601
+H	-1.544123746	-0.6727672729	-4.3539256864	 0.106884
+19
+0 5704	3.7121495	1.0590039	0.9579387	2.4179	75.53	-0.25848	0.04895	0.30743	1275.7057	0.156289	-422.502653	-422.494116	-422.493172	-422.536106	32.242
+O	 1.5836314881	 0.457422402	-0.1641173133	-0.412885
+C	 0.5439134708	-0.2186351563	 0.5265726923	-0.099351
+C	-0.2115253263	 0.7149185233	 1.4452599771	-0.09512
+O	-1.1024086887	 0.1009550555	 2.3904914803	-0.295316
+C	 0.0482416721	 0.7749022213	 2.8861077121	 0.463734
+C	 1.1849616966	 0.1139550769	 3.6977017974	-0.335056
+C	 1.1590106021	 1.3449203292	 4.6191597824	-0.04313
+C	-0.2010389382	 1.4978502566	 5.2290101448	-0.278514
+C	 0.0066283616	 1.965507627	 3.8098763999	-0.141002
+H	 2.2079832419	 0.7850057179	 0.4914033502	 0.285659
+H	-0.1303110141	-0.6028634412	-0.2459407084	 0.121609
+H	 0.9120720295	-1.0816461856	 1.1001656899	 0.098169
+H	-0.6122598971	 1.6049868512	 0.9556306796	 0.095743
+H	 0.9474422359	-0.8447824713	 4.1686497317	 0.113703
+H	 2.1115043782	 0.0060898996	 3.1259863546	 0.099126
+H	 2.0341627626	 1.8425164908	 5.0155074762	 0.093236
+H	-0.8156928032	 0.6245338842	 5.4319276624	 0.120953
+H	-0.3031059695	 2.2947301478	 5.9585389487	 0.116144
+H	-0.1549442525	 2.9944121511	 3.512703792	 0.0923
+19
+0 5705	3.1692582	1.1006222	0.9932533	1.5319	76.24	-0.24296	0.02479	0.26775	1260.9854	0.156381	-422.54712	-422.53831	-422.537366	-422.581507	32.475
+O	 1.4236907103	 0.6597635783	-0.1762758482	-0.413433
+C	 0.0685884686	 0.3048868108	 0.0639409436	-0.104308
+C	-0.7838994269	 0.4596959475	-1.1774000842	-0.047838
+O	-1.9718515805	-0.3359359568	-1.2471025606	-0.289532
+C	-0.910656417	-0.6000311134	-2.1822079136	 0.419333
+C	-0.2091253029	-1.9620406153	-2.0873207625	-0.345708
+C	-0.3158264552	-2.4966852924	-3.4934928443	-0.067328
+C	-0.8563206642	-1.6176438801	-4.336137307	-0.064671
+C	-1.2171709195	-0.3192483769	-3.6599409292	-0.340706
+H	 1.4578378773	 1.6043135657	-0.3580463543	 0.286445
+H	 0.0726842121	-0.7428433076	 0.3738951457	 0.122772
+H	-0.363430775	 0.8902392275	 0.8899679189	 0.095644
+H	-0.9192442462	 1.4931393632	-1.5126217084	 0.075424
+H	 0.8357750955	-1.8562916769	-1.7670537319	 0.128906
+H	-0.707863329	-2.5997437122	-1.3482587416	 0.122113
+H	 0.0271583959	-3.4896193122	-3.7612562326	 0.094655
+H	-1.0210814622	-1.7854715004	-5.3944026901	 0.094214
+H	-0.625910695	 0.5209779199	-4.0487533165	 0.110085
+H	-2.2721686559	-0.0458306587	-3.7802215931	 0.123933
+19
+0 5706	3.4982634	0.9664871	0.8745554	4.479	76.89	-0.26804	0.01025	0.27829	1389.4843	0.156461	-422.569489	-422.560507	-422.559563	-422.603658	32.516
+C	 2.1870095637	 1.6276362543	-0.2709753834	-0.373409
+C	 1.883042974	 0.1366038021	-0.0840533783	-0.20293
+C	 2.0558547097	-0.6567057648	-1.3630832542	-0.049875
+C	 3.3988886423	-1.2042152901	-1.7569726815	-0.342681
+C	 2.3080176161	-2.1428199017	-1.3118378805	 0.096937
+C	 2.2322169264	-3.1460276093	-0.1690155404	-0.151577
+O	 1.5680962635	-4.0906209248	-1.0742140985	-0.255898
+C	 1.6317011397	-3.2014169487	-2.1291882844	 0.433698
+O	 1.2406505984	-3.3558159062	-3.2419666832	-0.344514
+H	 2.0513639573	 2.1768541613	 0.6654555109	 0.117192
+H	 3.2173374841	 1.7807555566	-0.6076461981	 0.121967
+H	 1.523364253	 2.0735262506	-1.0192798057	 0.122212
+H	 2.5384905535	-0.2780882781	 0.6926682615	 0.096408
+H	 0.8563931743	 0.0142938136	 0.2837934498	 0.108278
+H	 1.4165329138	-0.3455472683	-2.1864891579	 0.111125
+H	 3.6720790727	-1.230173125	-2.8062511453	 0.138996
+H	 4.2279134206	-1.0588781514	-1.0706717104	 0.122459
+H	 3.1794198798	-3.5561144655	 0.1890707802	 0.125554
+H	 1.578860327	-2.8910090845	 0.6688139894	 0.126057
+19
+0 5707	2.6031396	1.176351	1.0874472	1.5093	77.97	-0.24549	-0.02875	0.21674000000000002	1238.9423	0.154887	-422.535598	-422.526423	-422.525479	-422.569983	33.306
+C	 1.5259352963	 1.8924687685	-0.4243486837	-0.376714
+C	 1.3560578449	 0.4000651989	-0.1205877858	-0.191688
+C	 2.0355344076	-0.4851989583	-1.145724008	-0.075363
+C	 1.5614729529	-1.8980476645	-1.3860771917	-0.373061
+C	 1.2957000371	-0.8334806059	-2.4132159102	 0.327292
+O	-0.0127838111	-0.3378725288	-2.7283000686	-0.317076
+C	 0.312241571	-0.1904960277	-4.1330037155	-0.192586
+C	 1.7258772301	-0.7285773943	-3.8421045648	 0.277106
+O	 2.7173754899	-0.9574801346	-4.4684702718	-0.295592
+H	 1.0532034325	 2.5066270079	 0.3479666677	 0.114762
+H	 2.5842139034	 2.1715525082	-0.4714154975	 0.115125
+H	 1.066816908	 2.1449699506	-1.3847996751	 0.126354
+H	 1.7645611484	 0.1692546137	 0.8712707045	 0.10292
+H	 0.2893048115	 0.1535234799	-0.0856916935	 0.113442
+H	 3.1003897233	-0.3077569628	-1.2839156754	 0.106119
+H	 2.2814617788	-2.669758633	-1.6375177713	 0.134023
+H	 0.6923228333	-2.2344814006	-0.829405457	 0.132942
+H	-0.3084560457	-0.8235510845	-4.7768635095	 0.136391
+H	 0.2645505577	 0.8503872573	-4.4718115329	 0.135605
+19
+0 5708	2.3916571	1.2767627	1.1081482	3.0493	76.95	-0.24356	-0.03847	0.20509	1221.3766	0.154707	-422.543963	-422.534707	-422.533763	-422.578553	33.422
+C	 2.7891010463	-1.1125553642	 1.4564954689	-0.384519
+C	 1.9928088843	-0.3234916228	 0.4106563494	-0.224367
+C	 2.2221878696	-0.8406690303	-0.988193166	-0.019247
+O	 1.8114576414	-0.0077383135	-2.0727587382	-0.279893
+C	 3.198591743	-0.227204521	-1.9161763524	 0.327744
+C	 4.1486542275	-0.8684734611	-2.9428728248	-0.340933
+C	 5.2867944015	 0.0828226557	-2.4553243021	-0.343662
+C	 4.2479070793	 0.8256357002	-1.5835132151	 0.341076
+O	 4.2566571138	 1.8314662533	-0.9347673381	-0.304771
+H	 2.5402546446	-2.1792727849	 1.4300066173	 0.116396
+H	 3.8669875349	-1.016290406	 1.2898505874	 0.121154
+H	 2.574427015	-0.7465626338	 2.4641247317	 0.125144
+H	 0.9195693911	-0.3910517288	 0.6292552996	 0.110166
+H	 2.2621541122	 0.7362346919	 0.4385348612	 0.138645
+H	 2.0149811367	-1.9018816261	-1.1485432196	 0.097095
+H	 4.3303353571	-1.9374852799	-2.8214718532	 0.116355
+H	 3.836963155	-0.6721696552	-3.9711124873	 0.128548
+H	 6.0675973073	-0.399408286	-1.8604207717	 0.136137
+H	 5.7632383394	 0.7050547824	-3.2163728369	 0.138931
+19
+0 5709	3.3013589	1.0541095	0.9311896	2.7249	78.99	-0.23482	-0.01778	0.21704	1323.8738	0.154877	-422.531941	-422.522639	-422.521695	-422.566673	33.286
+C	 1.4601920361	-0.1057883422	-0.0459881593	-0.232443
+O	 0.0567840324	 0.0738576929	 0.0204789079	-0.239312
+C	-0.3478590036	 0.7779431995	 1.1447160077	 0.076997
+C	-0.37539327	 2.2746944317	 1.1123142339	-0.381452
+C	-1.6708732822	 1.4915051818	 1.0134074477	 0.194842
+C	-2.6818322106	 1.3554528326	-0.1357011881	-0.321179
+C	-3.8283724513	 1.2044439713	 0.9193901092	-0.343086
+C	-2.7756287081	 1.4134368798	 2.0284737704	 0.339099
+O	-2.8123270637	 1.4935387521	 3.2248274954	-0.315357
+H	 1.8346621454	-0.6749099578	 0.8174521035	 0.112947
+H	 1.667029071	-0.6682114201	-0.9589735043	 0.131653
+H	 1.9894498832	 0.856572634	-0.0846401107	 0.11321
+H	-0.1438384272	 0.2873766658	 2.0983044203	 0.10478
+H	-0.2007994347	 2.8229058649	 2.032592568	 0.133608
+H	-0.0393579043	 2.7569819339	 0.2001594252	 0.126445
+H	-2.7733206668	 2.2441946844	-0.7636995028	 0.109888
+H	-2.5185621194	 0.4845864588	-0.7719880278	 0.125595
+H	-4.6100516606	 1.9686274193	 0.8965880188	 0.130416
+H	-4.3062566858	 0.221349857	 0.9543058952	 0.133349
+19
+0 5710	2.5654779	1.1844333	1.0609939	1.9454	77.59	-0.23659	-0.01801	0.21858	1229.8589	0.155791	-422.548909	-422.53973	-422.538786	-422.583307	33.476
+O	-0.7728957997	 0.1007503566	 0.8876120428	-0.413471
+C	-0.204271172	-0.4520576822	-0.2920972005	-0.078375
+C	-0.4774209174	 0.3726409265	-1.5283744598	-0.09223
+C	 0.5601006136	 0.5145830464	-2.5983973865	-0.352927
+C	 0.2492678419	 1.6921699116	-1.7019895998	 0.243098
+C	 1.1305687108	 2.4588260144	-0.6980005148	-0.335828
+C	 0.4449025974	 3.7920814045	-1.1482597937	-0.343807
+C	-0.4102131486	 2.9694205604	-2.1345561581	 0.340522
+O	-1.2706930959	 3.2315057895	-2.9290700893	-0.318666
+H	-1.7254828139	 0.1562483285	 0.7602399218	 0.284582
+H	 0.8733446426	-0.4963921689	-0.1035455318	 0.1105
+H	-0.5481391037	-1.4860235237	-0.4522993433	 0.098238
+H	-1.5135832504	 0.3829511342	-1.8629747191	 0.100934
+H	 1.5186486648	 0.0263094605	-2.4496273964	 0.120902
+H	 0.2347377997	 0.584347379	-3.6310320589	 0.134398
+H	 0.9473559051	 2.1907123021	 0.3435178053	 0.13253
+H	 2.2028214497	 2.4166016583	-0.9012086099	 0.106243
+H	-0.1381963503	 4.3102604161	-0.3821027582	 0.13257
+H	 1.0980330862	 4.5204272364	-1.6371203798	 0.130786
+19
+0 5711	2.9424594	1.3061194	1.1171073	2.2749	79.63	-0.20271	0.01302	0.21573	1164.5685	0.155635	-422.518121	-422.509335	-422.508391	-422.551894	32.293
+C	 1.4174673621	 0.022987642	-0.0810398015	-0.230775
+O	 0.0109012469	-0.0709940151	 0.0616697149	-0.229122
+C	-0.4634811983	 0.5752665771	 1.1924348585	 0.040653
+C	-1.8510541941	 1.1457728544	 1.0895002619	-0.392158
+C	-0.6640628061	 2.0840319522	 1.1575489808	 0.403435
+O	-0.3008955954	 2.7695168454	-0.0236056208	-0.303002
+C	 0.2073019887	 4.0620130695	 0.3189444292	-0.129634
+C	 0.1328352097	 4.1290112021	 1.8198801191	-0.112243
+C	-0.3690933027	 2.9885998834	 2.2864323821	-0.154697
+H	 1.9402246369	-0.4132729349	 0.7840032919	 0.099593
+H	 1.6838518098	-0.5445916376	-0.9757771307	 0.125181
+H	 1.7362049627	 1.0647943069	-0.2033560887	 0.121579
+H	-0.1463833461	 0.1341089508	 2.141300429	 0.078212
+H	-2.3091108239	 1.0588085179	 0.1103502475	 0.13829
+H	-2.5273700668	 1.0707672389	 1.9342823211	 0.11236
+H	 1.2364290469	 4.1666797968	-0.0594522898	 0.10622
+H	-0.3992798302	 4.8386115401	-0.1725438752	 0.109672
+H	 0.4499076899	 4.9889287398	 2.3949417993	 0.107203
+H	-0.5501720099	 2.7237322901	 3.3198218211	 0.109232
+19
+0 5712	2.81215	1.3480052	1.1132035	2.6591	78.63	-0.21853	0.00946	0.22799	1153.3063	0.157019	-422.539203	-422.530711	-422.529767	-422.57255	32.09
+O	 1.4012597835	 0.3175575492	-0.3346472091	-0.426531
+C	 0.0361689066	 0.4212351827	 0.0313585376	-0.07312
+C	-0.8745048926	 0.5349795831	-1.1778947635	-0.110486
+C	-2.1638346818	-0.2670712202	-1.2199867635	-0.365946
+C	-0.9860634185	-0.6688357482	-2.0757458522	 0.431009
+O	-0.2278309064	-1.8157051743	-1.7054795868	-0.320624
+C	 0.0858785246	-2.5724494589	-2.8813971614	-0.135895
+C	-0.3897641037	-1.7222219024	-4.0278177351	-0.113121
+C	-0.9980130601	-0.6393917432	-3.552823347	-0.147764
+H	 1.4648786896	-0.5068678696	-0.8317854578	 0.287113
+H	-0.2747632563	-0.4366565694	 0.6449385966	 0.091544
+H	-0.0514237113	 1.3173187429	 0.6545937579	 0.106894
+H	-0.8670534444	 1.5023036057	-1.6730117408	 0.091734
+H	-2.3764789941	-0.8995761423	-0.36411259	 0.124773
+H	-3.0385772135	 0.1537030074	-1.7046132144	 0.113156
+H	 1.1677578004	-2.766361981	-2.9050517166	 0.112242
+H	-0.4204288015	-3.5504078043	-2.846194931	 0.111619
+H	-0.2531948201	-1.9947516689	-5.0657971576	 0.110375
+H	-1.4615267706	 0.1567567117	-4.1201275053	 0.113029
+19
+0 5713	2.9529445	1.1336938	1.0060602	2.3539	77.76	-0.24393	0.00215	0.24608000000000002	1258.2115	0.156822	-422.548705	-422.539924	-422.53898	-422.58315	32.358
+O	 1.6629639625	 0.5484024	 0.1679764148	-0.414311
+C	 0.261167553	 0.3270681538	 0.1552672336	-0.102438
+C	-0.4142572729	 1.130869798	-0.9340825081	-0.055862
+O	-1.8182711282	 1.3649333645	-0.7978151462	-0.303118
+C	-0.934187367	 2.4982020053	-0.7240199488	 0.419827
+C	-1.0250030887	 3.548604658	-1.8390554831	-0.30956
+C	-0.6858953699	 4.8996772284	-1.1556340854	-0.26947
+C	-0.7012069294	 4.5685978432	 0.3180000797	-0.068959
+C	-0.835314074	 3.2624397295	 0.5499171766	-0.16111
+H	 1.8052532661	 1.4808005361	 0.3631445856	 0.286195
+H	 0.1268255787	-0.7430981967	-0.0342695348	 0.118208
+H	-0.2083860314	 0.547682949	 1.124094016	 0.096587
+H	-0.0919388686	 0.8768084303	-1.946458386	 0.091209
+H	-0.3649517728	 3.3223723258	-2.679642726	 0.109488
+H	-2.0504063357	 3.5504057227	-2.2201952201	 0.127215
+H	 0.3006777486	 5.2730677044	-1.4595775815	 0.11383
+H	-1.3997173743	 5.6920627265	-1.4075508322	 0.113687
+H	-0.5956316006	 5.3287683359	 1.0841987135	 0.102121
+H	-0.8745714854	 2.7883611653	 1.5226079924	 0.10646
+19
+0 5714	2.3503861	1.0183046	0.8533067	1.8746	78.83	-0.24737	-0.0902	0.15717	1438.1361	0.154482	-422.568454	-422.558624	-422.55768	-422.604321	34.338
+C	-3.552923819	 1.5253171074	 2.3084975894	-0.375717
+C	-3.1232056905	 2.7360821428	 1.4733859683	-0.204658
+C	-1.6402814556	 2.7554479878	 1.1747205782	 0.028597
+C	-1.0868076901	 3.432739098	-0.0246600238	-0.301116
+C	-1.0994030662	 1.9064491853	 0.0153489059	-0.137572
+C	 0.1831657618	 1.2160226445	 0.2225880526	 0.280349
+O	 1.1276185187	 1.6598219819	 0.8463613563	-0.316014
+C	 0.331865517	-0.1845166301	-0.3889349668	 0.091855
+O	-0.5282015509	-0.7395194883	-1.0207803877	-0.222398
+H	-3.0262357311	 1.5015886421	 3.2685887589	 0.119352
+H	-4.6264356907	 1.5509107527	 2.5178855988	 0.116687
+H	-3.3332807812	 0.5888242194	 1.7857275779	 0.123757
+H	-3.6823127785	 2.7562933321	 0.5294972881	 0.099455
+H	-3.3852523837	 3.6617343398	 2.0023742781	 0.106976
+H	-0.9866243251	 2.7487119839	 2.0439955456	 0.109615
+H	-1.7727794818	 3.8983372614	-0.7243098094	 0.122001
+H	-0.1088578698	 3.8945129207	 0.0538877992	 0.137629
+H	-1.8179437762	 1.3810252438	-0.6015020522	 0.11504
+H	 1.3267690628	-0.6326172251	-0.1824081274	 0.106162
+19
+0 5715	2.552388	0.982704	0.808045	2.3397	77.55	-0.25685	0.04423	0.30108	1466.7287	0.153707	-422.500905	-422.490669	-422.489725	-422.536633	36.484
+C	 3.0725450942	-2.2710065956	 2.99878269	-0.394282
+C	 2.0306206601	-2.7466605593	 1.9658599031	-0.188039
+C	 2.6091493388	-3.6722596596	 0.9933585243	 0.323871
+C	 3.0961758307	-4.4080521492	 0.1767590796	-0.477784
+C	 1.4131966939	-1.555775546	 1.2434313325	 0.073956
+O	 0.4968895712	-0.7675960909	 2.0009044305	-0.258647
+C	-0.0072018151	-1.5043104586	 0.8798794163	 0.034431
+C	-0.5359338175	-0.7013868105	-0.2929409851	-0.113614
+O	 0.3995133187	 0.1922361783	-0.8632604401	-0.403259
+H	 3.4858932677	-3.1187846491	 3.550419794	 0.126341
+H	 3.8982601413	-1.7516979698	 2.5033190489	 0.126816
+H	 2.5997516185	-1.5833960931	 3.7048662383	 0.137268
+H	 1.2214419018	-3.257745744	 2.5034952618	 0.110877
+H	 3.5219059394	-5.0722381624	-0.5340489568	 0.198137
+H	 2.1143175937	-0.9663454976	 0.6525603901	 0.098864
+H	-0.6358254054	-2.3543121115	 1.1561680667	 0.092367
+H	-0.9398551736	-1.4043216691	-1.038519588	 0.095541
+H	-1.3719788831	-0.0842852711	 0.0555305088	 0.128462
+H	 1.0371136049	-0.325895011	-1.3641782148	 0.288691
+19
+0 5716	3.1398566	0.852391	0.7048412	2.8836	78.13	-0.26091	0.02488	0.28579	1613.0854	0.153185	-422.500605	-422.490191	-422.489247	-422.536705	36.776
+C	 4.199830011	 1.89053635	 4.5024303268	-0.376691
+C	 3.2022288856	 2.0351307699	 3.3472074521	-0.216681
+C	 3.2781642728	 0.8783714126	 2.3813048075	 0.084923
+O	 4.4015669264	 0.8560523496	 1.4849932432	-0.254237
+C	 3.1006416656	 1.0345681816	 0.9337829677	 0.031292
+C	 2.5854797266	-0.09708861	 0.0569597434	-0.073036
+O	 3.1781227813	-0.0740442633	-1.236150819	-0.409408
+C	 1.1208462793	-0.0599978425	-0.0091212644	 0.29435
+C	-0.075708492	 0.0249237431	-0.088824497	-0.458899
+H	 4.0060233503	 0.9818034095	 5.0827357915	 0.116472
+H	 5.2234113155	 1.8329891517	 4.1207068339	 0.136194
+H	 4.1371680505	 2.7425626559	 5.1854317261	 0.115594
+H	 2.1780910287	 2.0968467691	 3.7371874174	 0.105667
+H	 3.3935107239	 2.9650144508	 2.800196453	 0.105812
+H	 3.0502939425	-0.1004892751	 2.8106792598	 0.0893
+H	 2.9029835584	 2.033752978	 0.539288238	 0.09252
+H	 2.9162577932	-1.0412242637	 0.5045416566	 0.126091
+H	 2.7663502755	 0.6405351165	-1.7348668511	 0.286415
+H	-1.1347033051	 0.0765427162	-0.1547292052	 0.204324
+19
+0 5717	2.9388345	0.9043003	0.7255677	1.1591	78.9	-0.24888	0.03269	0.28157	1558.2334	0.153241	-422.486468	-422.476086	-422.475142	-422.522448	36.805
+C	 1.3302959951	-0.0697723907	-0.199891034	-0.234298
+O	-0.0557327275	 0.0984804696	 0.0231050949	-0.240256
+C	-0.3390016354	 0.6551175785	 1.2646456982	 0.127233
+C	-0.4237686101	-0.2345076016	 2.4820669166	-0.333323
+C	-1.6766405646	 0.3358244181	 1.8501414296	-0.050271
+C	-2.4749316197	 1.4033436165	 2.5799220327	-0.083808
+O	-3.2156314481	 0.8712740714	 3.6757916678	-0.411582
+C	-3.3413408498	 2.1405121183	 1.6522943441	 0.315687
+C	-4.078767292	 2.7027047937	 0.8873140705	-0.455228
+H	 1.7840164085	-0.737620754	 0.5464116169	 0.109354
+H	 1.4447505003	-0.5098516047	-1.1931004517	 0.128395
+H	 1.8646976719	 0.8920888331	-0.1734694923	 0.106851
+H	 0.05340184	 1.6648339459	 1.4050499037	 0.086016
+H	-0.2393563263	-1.2929741059	 2.3371938914	 0.118736
+H	-0.1064299016	 0.159379842	 3.4420575032	 0.118621
+H	-2.2741408398	-0.3554750461	 1.2625797619	 0.101361
+H	-1.7727875111	 2.1067770822	 3.044921339	 0.112103
+H	-3.9334592132	 0.3426540139	 3.3095793362	 0.284234
+H	-4.7218785268	 3.2152155398	 0.2151690012	 0.200175
+19
+0 5718	2.1721761	1.1704693	0.8137574	0.575	77.42	-0.26167	0.02989	0.29156000000000004	1401.6532	0.153692	-422.503106	-422.492496	-422.491552	-422.540218	37.212
+O	 1.5242161856	 3.5843333645	 1.8706632667	-0.417253
+C	 2.9343664308	 3.412349737	 1.9088759697	-0.074253
+C	 3.3679133979	 1.9916260621	 1.6311955144	-0.044756
+C	 4.5333747144	 1.6854898783	 0.7188026263	-0.316277
+C	 3.1269769315	 1.4049712967	 0.2649533808	 0.012331
+C	 2.6395346285	-0.0281044794	 0.1385298811	-0.083358
+O	 3.0423235787	-0.6391736365	-1.0836237768	-0.412965
+C	 1.184082187	-0.1031058493	 0.3253019905	 0.311986
+C	-0.0124042598	-0.1389132785	 0.439793403	-0.461939
+H	 1.1237518896	 2.8535058742	 2.3523491926	 0.282627
+H	 3.3338352407	 4.0818971384	 1.1388318357	 0.102606
+H	 3.3480986754	 3.7467551317	 2.8738610962	 0.088449
+H	 3.2332664745	 1.3082306558	 2.4685632326	 0.084707
+H	 5.0587352543	 2.5185032472	 0.2638442956	 0.115722
+H	 5.1685798503	 0.8410239148	 0.9650168118	 0.118624
+H	 2.6941286889	 2.0821773551	-0.4670804794	 0.095441
+H	 3.1268914557	-0.6280778345	 0.9178879338	 0.112288
+H	 2.5253930004	-0.2391275012	-1.7917816996	 0.284778
+H	-1.0682340143	-0.1849613065	 0.546483585	 0.201242
+19
+0 5719	2.7929855	0.7328132	0.625209	3.179	80.11	-0.24875	0.05027	0.29902	1813.4418	0.154004	-422.504642	-422.493979	-422.493034	-422.54346	35.956
+C	 1.600989811	 0.2531160538	 0.2536645734	-0.495947
+C	 0.1595431924	 0.1094793311	 0.1047910105	 0.056213
+C	-1.0337079402	 0.0084516356	-0.0199987011	 0.059365
+C	-2.4756759762	-0.1560524742	-0.1742461046	-0.384011
+C	-2.8866525394	-1.619652634	-0.1768754312	 0.074973
+O	-4.2772103893	-1.8863172534	-0.0079718068	-0.254234
+C	-3.3789919004	-2.2947649294	 1.0298521289	 0.045232
+C	-3.2326889158	-3.7847645674	 1.2702691098	-0.110612
+O	-2.8158917303	-4.5257931014	 0.1405457311	-0.40323
+H	 1.8862360078	 0.3573277956	 1.3063520887	 0.147588
+H	 2.1319067168	-0.6170542448	-0.1481420946	 0.146449
+H	 1.9689900291	 1.1375675781	-0.2780034698	 0.150292
+H	-3.0152928354	 0.3626837171	 0.6272527347	 0.132745
+H	-2.8082091764	 0.3019421826	-1.1154518465	 0.137306
+H	-2.4121379924	-2.2300630544	-0.944198956	 0.099044
+H	-3.4620364449	-1.703735951	 1.9453930606	 0.089853
+H	-2.5583882481	-3.9317230912	 2.1289553971	 0.093501
+H	-4.2103851713	-4.1904069429	 1.5546571649	 0.127642
+H	-1.883673937	-4.3396418299	-0.0081295592	 0.287832
+19
+0 5720	5.0623964	0.6524278	0.6122224	1.2294	80.08	-0.24439	0.03293	0.27732	1823.6451	0.152843	-422.467887	-422.457637	-422.456693	-422.504117	35.848
+C	 1.4478398122	-0.0836699569	-0.1279483482	-0.230898
+O	 0.0431613571	 0.0553665523	-0.0319104669	-0.238198
+C	-0.3656776734	 0.6370097398	 1.1615188866	 0.086737
+C	-0.4799769098	-0.2092223802	 2.4181555256	-0.348861
+C	-1.7117151637	 0.239774303	 1.6868302437	 0.089506
+O	-2.508313381	 1.1877243761	 2.324281555	-0.248533
+C	-3.2759891069	 1.9520319417	 1.4024244291	-0.212423
+C	-4.0673223483	 2.9413051369	 2.1202842062	 0.282754
+C	-4.7300961673	 3.766438537	 2.6873802541	-0.419364
+H	 1.8498682657	-0.7087583813	 0.6819524844	 0.110529
+H	 1.6587509307	-0.5594921228	-1.0883853326	 0.128072
+H	 1.9539919526	 0.8928211265	-0.0949817473	 0.107821
+H	-0.0650522958	 1.6765673363	 1.304293297	 0.093236
+H	-0.2218002482	-1.2599259963	 2.3498429149	 0.121544
+H	-0.265310364	 0.2684247063	 3.3673068463	 0.128955
+H	-2.2508136983	-0.5088593632	 1.1041831704	 0.097917
+H	-2.6149091378	 2.4522638707	 0.6775013248	 0.126988
+H	-3.941436487	 1.2919052297	 0.8222006612	 0.123462
+H	-5.3149927468	 4.4933533343	 3.1945706558	 0.200757
+19
+0 5721	1.9486145	1.4572505	0.946598	1.0543	76.88	-0.2505	0.02016	0.27066	1267.1745	0.154063	-422.486274	-422.47626	-422.475316	-422.521687	35.866
+O	 1.3401986185	 1.7175599252	 2.4701277567	-0.431348
+C	 0.6946681584	 2.9428743081	 2.1504477547	-0.065801
+C	-0.4059682128	 2.7680451151	 1.1322585268	-0.073836
+C	-1.7604452805	 3.4416411606	 1.2566689943	-0.335372
+C	-1.6310686649	 1.9741042098	 1.5022516556	 0.127292
+O	-2.2098333095	 1.1165714643	 0.560391917	-0.234968
+C	-1.6815560799	-0.1975027557	 0.59842996	-0.227838
+C	-0.3038525081	-0.3241496622	 0.1040370345	 0.330961
+C	 0.8147010113	-0.4626415039	-0.3174964008	-0.477275
+H	 1.3252367352	 1.1612376863	 1.682629418	 0.282716
+H	 0.2833521543	 3.3307152728	 3.0908498334	 0.094439
+H	 1.4227070889	 3.6876927601	 1.790594883	 0.086953
+H	-0.0714836097	 2.6171617002	 0.1099619811	 0.102795
+H	-1.951272534	 4.0843283836	 2.1094450386	 0.116757
+H	-2.2469535106	 3.7461877573	 0.3371044721	 0.125801
+H	-1.7022742021	 1.614768555	 2.5296267383	 0.095037
+H	-1.7345131369	-0.6049041238	 1.6201433272	 0.129561
+H	-2.3433618867	-0.8029633132	-0.0296500095	 0.143791
+H	 1.7950100391	-0.5959899096	-0.705516681	 0.210332
+19
+0 5722	5.7271324	0.5675997	0.5387708	1.3896	78.81	-0.2607	0.05349	0.31418999999999997	2001.5073	0.153831	-422.499769	-422.489419	-422.488474	-422.53632	36.088
+O	-1.3141548138	 5.6482478783	 2.2240952458	-0.409368
+C	-0.9204891818	 4.2858695719	 2.2662247252	-0.105418
+C	-2.0517932383	 3.3555020622	 1.8847917534	 0.030255
+O	-1.6760736306	 2.016872138	 1.5488699433	-0.261524
+C	-2.2267307463	 2.8550245382	 0.5175457167	 0.065203
+C	-3.5645716581	 2.4360315132	-0.0368485188	-0.220159
+C	-3.4425779172	 1.1767942528	-0.9231445587	-0.345695
+C	-4.7192222942	 0.75385444	-1.4834716055	 0.291018
+C	-5.785988036	 0.4288925346	-1.9320096342	-0.437539
+H	-1.9104326028	 5.8105948814	 2.9616663651	 0.287627
+H	-0.1020637607	 4.171448194	 1.5491099043	 0.120973
+H	-0.5296905708	 4.0038716816	 3.2558756653	 0.099739
+H	-2.9420553402	 3.4253328478	 2.5161687333	 0.083498
+H	-1.4888550504	 3.1689770574	-0.2244780796	 0.093129
+H	-4.257278108	 2.2324980024	 0.7855508498	 0.116387
+H	-3.9876811995	 3.2587225439	-0.6245816033	 0.118469
+H	-2.7312644523	 1.3696358992	-1.7371253141	 0.12967
+H	-3.0105971368	 0.3664927072	-0.3237029681	 0.149545
+H	-6.721199812	 0.1293530561	-2.3354130699	 0.194191
+19
+0 5723	3.270843	0.9805741	0.897306	2.8943	77.83	-0.25813	-0.03794	0.22019000000000002	1374.586	0.154879	-422.531423	-422.522352	-422.521408	-422.565618	32.982
+C	 2.4667432742	 1.1921456478	 0.2328753223	-0.386564
+C	 2.0043655503	-0.2498213522	-0.0020877348	-0.197031
+C	 2.3444128304	-0.7744988023	-1.3946978242	 0.004128
+C	 1.7796215975	-2.204847262	-1.7164377873	-0.340762
+C	 0.9267120736	-1.5859379893	-2.8233320707	 0.323107
+O	 1.7967432187	-0.8922783741	-3.7343707703	-0.273374
+C	 1.4640028382	-0.2203185584	-2.5352353421	-0.039012
+C	-0.4208595823	-1.9386967877	-3.300384626	 0.063162
+O	-1.0960072791	-2.8150249965	-2.8168938058	-0.260091
+H	 2.2064133534	 1.5296334275	 1.2403904902	 0.120178
+H	 3.5525655555	 1.2812167999	 0.1205270336	 0.121304
+H	 2.0043374022	 1.8865762918	-0.4769054654	 0.117672
+H	 2.4668381895	-0.9111430709	 0.7408055052	 0.107605
+H	 0.9204494584	-0.3245705951	 0.1584254493	 0.101857
+H	 3.4120466707	-0.6518184368	-1.6037014022	 0.087896
+H	 2.4916587416	-2.9616601423	-2.0505505204	 0.11636
+H	 1.1684963809	-2.6036026291	-0.9041218509	 0.131435
+H	 0.9782270359	 0.7463429169	-2.6228919587	 0.115594
+H	-0.7722175695	-1.3069019772	-4.1450338118	 0.086537
+19
+0 5724	3.4606318	1.0338735	0.9293641	2.7957	77.83	-0.24592	-0.03581	0.21011	1326.9053	0.154826	-422.529255	-422.520193	-422.519249	-422.563319	33.038
+C	 2.7679015691	-1.3109096255	 0.8999693211	-0.386486
+C	 2.0073927704	-0.3401822231	-0.0073448666	-0.188228
+C	 2.2064760505	-0.6474666787	-1.4799941206	 0.124358
+O	 1.6507232552	-1.957567822	-1.8338521579	-0.333043
+C	 0.6794812996	-1.3423666958	-2.6741255092	 0.348099
+C	 1.3194530032	-0.5766411951	-3.8008331491	-0.341507
+C	 1.2562179532	 0.0614648945	-2.4469406377	-0.165159
+C	-0.7210254253	-1.7929417695	-2.6400635638	 0.070778
+O	-1.598560447	-1.3248546838	-3.3272508005	-0.271163
+H	 2.5833245095	-1.0893395932	 1.954800507	 0.116753
+H	 2.4529346937	-2.3398564886	 0.7058814145	 0.139019
+H	 3.8482088668	-1.2508569878	 0.7286518719	 0.116358
+H	 0.9341692499	-0.373295181	 0.2160671603	 0.103287
+H	 2.3376480385	 0.6920552343	 0.170618528	 0.100757
+H	 3.2701491032	-0.6019633778	-1.7494127007	 0.085037
+H	 2.2614108901	-0.9493321968	-4.1928606063	 0.125378
+H	 0.6157952928	-0.1867205026	-4.5284307955	 0.148747
+H	 0.7132085641	 0.9748813616	-2.2425858448	 0.12006
+H	-0.9091290974	-2.6031265291	-1.90220207	 0.086956
+19
+0 5725	2.9486534	1.1074895	0.9213414	3.229	78.76	-0.24273	-0.01876	0.22397	1314.2239	0.155357	-422.526637	-422.517679	-422.516735	-422.560623	32.659
+C	 1.5477411446	-0.0079342913	 0.0809183316	-0.241905
+O	 0.1397604981	 0.0806622414	 0.0443618367	-0.247884
+C	-0.4036562798	 0.7270184922	 1.1635880283	 0.158645
+C	-0.3110465454	 2.2930360363	 1.1272528595	-0.340689
+C	-1.8327726737	 2.3651266756	 0.9933435905	 0.277187
+C	-2.5095897345	 1.6247073956	 2.1296380827	-0.341136
+C	-1.9250048577	 0.8090123727	 1.0353009057	-0.124929
+C	-2.573275076	 3.2552733628	 0.096160736	 0.055168
+O	-2.0764085766	 4.1502689508	-0.5469163801	-0.270609
+H	 1.8937420497	-0.5605658032	 0.9682975313	 0.106685
+H	 1.8604839149	-0.5456305986	-0.816738351	 0.132008
+H	 2.0246124562	 0.9831624106	 0.0835047849	 0.113422
+H	-0.0419643348	 0.2543967198	 2.0917141116	 0.065509
+H	 0.1254796263	 2.7995327391	 1.9930211056	 0.097678
+H	 0.1846649842	 2.6305011777	 0.2154103739	 0.13661
+H	-2.047733281	 1.6546197634	 3.1137168916	 0.121128
+H	-3.5938563227	 1.6840858928	 2.1427674384	 0.128303
+H	-2.5148407658	 0.1643016937	 0.3958120519	 0.113785
+H	-3.665144606	 3.0333567788	 0.033084511	 0.061022
+19
+0 5726	2.967711	1.0407098	0.9299103	2.3973	78.18	-0.24326	-0.0167	0.22656	1314.2701	0.155926	-422.541516	-422.532519	-422.531575	-422.575592	32.986
+O	-0.4649770616	-1.9114296842	-0.5392978943	-0.424846
+C	 0.3383230788	-0.7866164601	-0.2139096926	-0.099657
+C	-0.1490578076	 0.3855419892	-1.0439700642	 0.028937
+C	 0.8066673338	 1.6223505991	-0.9929267241	-0.34419
+C	 1.1036369663	 1.4493646919	-2.4827737008	 0.286494
+C	-0.1767659344	 1.4778315445	-3.2932496628	-0.347465
+C	 0.1210131619	 0.2312737315	-2.5474749289	-0.077437
+C	 2.4256436169	 1.5193210093	-3.1047188892	 0.052138
+O	 3.4386205626	 1.8540321141	-2.5336291511	-0.275499
+H	-0.1388164776	-2.6696495897	-0.0459976742	 0.289735
+H	 0.2652221616	-0.5321213697	 0.8556747173	 0.091231
+H	 1.4009649258	-0.9766983831	-0.4365885399	 0.091971
+H	-1.1985348183	 0.5846949689	-0.8009512363	 0.083096
+H	 0.3587970782	 2.577543819	-0.7052703403	 0.10318
+H	 1.692928566	 1.4501454393	-0.3780402824	 0.12737
+H	-0.9726921444	 2.1449670235	-2.9704388314	 0.119868
+H	-0.0445495709	 1.427848985	-4.3701270418	 0.124859
+H	 0.2854051913	-0.7151398962	-3.0475773462	 0.110507
+H	 2.4415873816	 1.2112199677	-4.1771252471	 0.059707
+19
+0 5727	3.0698248	1.072331	0.8969494	3.3032	77.5	-0.24025	-0.03985	0.2004	1350.2336	0.154876	-422.537971	-422.528705	-422.527761	-422.572842	33.276
+C	 1.3696260456	 1.1469612216	 0.521260204	-0.383363
+C	 0.864792687	-0.2396821341	 0.1126759136	-0.184979
+C	 1.6647142789	-0.8564769057	-1.0381764002	-0.110485
+C	 1.4264939368	-0.2949725184	-2.482805343	-0.367384
+C	 0.8318844029	-1.6506471787	-2.8998040956	 0.344054
+C	-0.3186694604	-1.9755703623	-3.7604720911	-0.246585
+O	 1.0141964723	-2.3049822495	-4.1399356747	-0.254035
+C	 1.1580554792	-2.2333234764	-1.5295966294	 0.324902
+O	 1.0537511947	-3.3146189916	-1.028409189	-0.304732
+H	 0.7696725773	 1.5583243213	 1.3387885632	 0.118848
+H	 2.4109250777	 1.1028264408	 0.8581830855	 0.119632
+H	 1.3217013237	 1.8526745954	-0.3149484385	 0.119485
+H	 0.9116844257	-0.9232822359	 0.9683183608	 0.119823
+H	-0.193277503	-0.1792569896	-0.1744221025	 0.098621
+H	 2.7266026658	-0.9044291302	-0.7698706995	 0.105646
+H	 0.7361279957	 0.5497645213	-2.54316788	 0.113715
+H	 2.3422544227	-0.0481302774	-3.0234678067	 0.125999
+H	-0.9547797028	-2.8207377514	-3.5028913747	 0.136169
+H	-0.7874585097	-1.1743604891	-4.3303614722	 0.124669
+19
+0 5728	2.9130386	1.1641778	0.9398696	1.3316	78.37	-0.24574	-0.0278	0.21794	1311.9569	0.154725	-422.539416	-422.530189	-422.529245	-422.573841	33.505
+C	 2.8702400366	 1.3602052901	-0.1222652865	-0.384251
+C	 2.3067902528	-0.0506969506	 0.0719855453	-0.192757
+C	 2.0680868173	-0.7663648625	-1.2478267876	 0.020341
+O	 1.0358585456	-0.1419788791	-2.0715523564	-0.336181
+C	 0.2295371892	-1.3211677658	-2.0743776785	 0.335738
+C	-1.2712487161	-1.3184136734	-2.0305769576	-0.32387
+C	-0.5498084667	-1.8073192273	-3.2630711528	-0.328007
+C	 1.2183027159	-2.0507954451	-1.2190155202	 0.265237
+O	 1.3022237487	-3.1349392339	-0.7216877595	-0.305041
+H	 3.0066341694	 1.8625614234	 0.8397818161	 0.116989
+H	 3.8413516626	 1.3327426764	-0.6284302791	 0.116836
+H	 2.1907085632	 1.9640073278	-0.7301186693	 0.137921
+H	 2.9955937712	-0.6659483034	 0.6638185082	 0.115915
+H	 1.3622950363	-0.0063909559	 0.6267066499	 0.107336
+H	 3.001136922	-0.8747134251	-1.8177468808	 0.106196
+H	-1.753480691	-2.0409321023	-1.3806832433	 0.136949
+H	-1.7446340683	-0.3438461084	-2.0780742997	 0.136686
+H	-0.5292125899	-2.8710695776	-3.4749418612	 0.136772
+H	-0.5412970687	-1.1578521073	-4.131540267	 0.13719
+19
+0 5729	3.3740098	1.07568	0.9013759	3.6648	78.8	-0.23742	-0.02542	0.212	1338.8952	0.154996	-422.529112	-422.519818	-422.518874	-422.563837	33.277
+C	 1.5080753018	 0.2082923483	-0.2336284688	-0.236991
+O	 0.1232395272	 0.0000363231	-0.0465754246	-0.237349
+C	-0.3578254353	 0.4961578598	 1.1612177141	 0.038244
+C	-0.1739110064	-0.3483830501	 2.4769952439	-0.380364
+C	-1.6884855918	-0.2462535632	 2.7179602751	 0.235461
+C	-2.439333992	 0.1796050049	 3.9645357648	-0.305738
+C	-2.6425987963	-1.1926799444	 3.4074533802	-0.307918
+C	-1.8915291795	 0.3613077921	 1.3606378909	 0.316179
+O	-2.8491513261	 0.6057229546	 0.6839999552	-0.308593
+H	 2.1098969923	-0.3207452025	 0.5199675617	 0.110161
+H	 1.7608267137	-0.1798246802	-1.2228413294	 0.133954
+H	 1.7624166717	 1.2785739578	-0.1924022488	 0.109078
+H	-0.0497115525	 1.5443049136	 1.3183890896	 0.089806
+H	 0.1566425659	-1.3655565665	 2.2502616795	 0.117234
+H	 0.4740793272	 0.0886393292	 3.2393489369	 0.105526
+H	-1.8548881343	 0.2877614125	 4.8723197094	 0.123346
+H	-3.2283833956	 0.9128111185	 3.834871149	 0.134965
+H	-2.2051470165	-2.0347854975	 3.9329647998	 0.124188
+H	-3.5692503035	-1.4048344303	 2.8844176015	 0.138812
+19
+0 5730	3.447132	1.1107404	0.9436435	3.6903	77.75	-0.24349	-0.02899	0.21450000000000002	1276.7722	0.156365	-422.549192	-422.54024	-422.539295	-422.583306	32.989
+O	 0.6935485194	-1.201172696	 0.1044427682	-0.422831
+C	 0.5742284804	 0.2052292046	 0.1412985761	-0.070958
+C	-0.5079416736	 0.6327925852	 1.1362438014	-0.123212
+C	-0.6088897369	 2.1328277136	 1.5789082844	-0.373078
+C	-0.3316750123	 1.7019390779	 3.0331744897	 0.24865
+C	-1.0243060024	 2.122072312	 4.3148891559	-0.306812
+C	 0.4341701407	 2.393076243	 4.1392170783	-0.308851
+C	-0.1363820305	 0.2874634345	 2.5864882258	 0.344224
+O	 0.266592183	-0.7217554644	 3.1095664151	-0.344313
+H	 0.8034739948	-1.4994297481	 1.0174096253	 0.297494
+H	 1.5285028739	 0.6903112558	 0.4096777396	 0.085056
+H	 0.3193539536	 0.5318216108	-0.8727230433	 0.110802
+H	-1.4663525799	 0.1941490609	 0.8410049864	 0.110374
+H	 0.1728234821	 2.7656230708	 1.1489672072	 0.11262
+H	-1.5799994085	 2.5987975872	 1.4010406117	 0.112386
+H	-1.7180909138	 2.9529241354	 4.2416965342	 0.126721
+H	-1.3262023191	 1.3284345829	 4.9899322961	 0.137204
+H	 0.7512159264	 3.4129965732	 3.9494092708	 0.126105
+H	 1.1432050827	 1.7835650807	 4.6894753971	 0.13842
+19
+0 5731	3.9618811	1.013334	0.8828172	1.1696	78.93	-0.24265	0.00097	0.24362	1342.8948	0.156012	-422.531803	-422.523079	-422.522135	-422.565926	32.138
+C	 1.4954421735	-0.2977012882	 0.1186953384	-0.234052
+O	 0.1113133621	-0.0418507369	 0.046104551	-0.247681
+C	-0.3748410009	 0.7567483846	 1.1111647371	 0.081542
+C	-0.0414354401	 2.2695154179	 0.9717846066	-0.337336
+C	-1.3726750675	 2.9931444472	 1.1843787943	 0.415954
+C	-1.6079856529	 4.407503023	 0.8679284472	-0.24733
+O	-1.4532847153	 3.98882084	 2.2244904645	-0.278891
+C	-2.4225167475	 1.9408696284	 1.16182754	-0.141283
+C	-1.8848081513	 0.7240790374	 1.1118566844	-0.098949
+H	 1.7677303947	-0.7916254538	 1.0651227024	 0.104634
+H	 1.7457073498	-0.9625786515	-0.7115318416	 0.127578
+H	 2.0961866062	 0.6198256953	 0.0265544851	 0.10646
+H	 0.015515935	 0.3503354799	 2.0607093214	 0.074834
+H	 0.7065681946	 2.6274414303	 1.6822884659	 0.117297
+H	 0.331958902	 2.4408231893	-0.0426916104	 0.119596
+H	-0.7905650052	 5.005952369	 0.4647825784	 0.110658
+H	-2.6059122319	 4.7474347347	 0.5901315035	 0.110356
+H	-3.4788576451	 2.1768135138	 1.2133966972	 0.107156
+H	-2.4235440601	-0.2156594504	 1.0898217648	 0.109458
+19
+0 5732	3.2887646	1.2558805	1.1477989	2.2526	78.52	-0.22796	0.00408	0.23204	1150.825	0.156021	-422.534893	-422.526244	-422.5253	-422.568436	32.357
+C	 1.4251378245	-0.113174775	-0.1513438677	-0.246541
+O	 0.0190786353	-0.0717287443	 0.0319058362	-0.236789
+C	-0.4290216892	 0.6564362166	 1.1428274965	 0.170131
+O	 0.0800891789	 0.126912106	 2.3680825261	-0.313319
+C	 0.760530058	 1.1340113315	 3.0875019509	 0.42794
+C	 1.9691231675	 0.7358887674	 3.8954225076	-0.327125
+C	 0.672275077	 1.0944338812	 4.5913669398	-0.32356
+C	 0.663032173	 2.367256492	 2.2819675731	-0.149053
+C	-0.0258506783	 2.1146340995	 1.1731990967	-0.168088
+H	 1.9272499112	-0.5645990632	 0.7119110721	 0.123023
+H	 1.6001992141	-0.7329542362	-1.0331790569	 0.125015
+H	 1.8493881971	 0.8845499136	-0.3249031123	 0.106371
+H	-1.5162804073	 0.5076201335	 1.117936426	 0.092464
+H	 2.2395409752	-0.3134629415	 3.8587016961	 0.129844
+H	 2.8061725204	 1.4233663329	 3.9551968752	 0.115507
+H	 0.0901656197	 0.2818646016	 5.0108582084	 0.130921
+H	 0.6089682228	 2.0320816029	 5.133201965	 0.11572
+H	 1.0965492251	 3.3092723668	 2.5928567724	 0.115248
+H	-0.2771454851	 2.8023253047	 0.3770586549	 0.112291
+19
+0 5733	3.4178334	1.0539372	0.9069089	3.097	78.02	-0.24152	0.00749	0.24901	1307.9152	0.156684	-422.546458	-422.537755	-422.536811	-422.580547	32.415
+O	 1.4471653958	 0.7984216449	-0.0883446679	-0.418972
+C	 0.0979231434	 0.4264859705	 0.1499808814	-0.080531
+C	-0.7906837564	 1.2766271714	-0.7615060959	-0.036881
+C	-0.5727606551	 0.9692429883	-2.2690609172	-0.325633
+C	-1.862660735	 0.2875032628	-2.7361908112	 0.433289
+C	-1.9271469132	-0.7850735587	-3.7424547999	-0.250987
+O	-2.3229877508	 0.5459824742	-4.0735222813	-0.2824
+C	-2.8315499974	 0.4235375819	-1.6175577703	-0.147425
+C	-2.2592244816	 0.9763450099	-0.5486605652	-0.099698
+H	 2.0153011979	 0.2310548099	 0.4406312024	 0.287822
+H	-0.0707074801	-0.6402637102	-0.0697609281	 0.08679
+H	-0.182106222	 0.5952290923	 1.2023130481	 0.084834
+H	-0.561951151	 2.3248689148	-0.5320210536	 0.089384
+H	-0.4423300422	 1.8903225615	-2.8435077154	 0.123029
+H	 0.3186539107	 0.3590846033	-2.4300639874	 0.115526
+H	-1.0048223237	-1.1317716937	-4.2091405135	 0.111013
+H	-2.7313062013	-1.5208777499	-3.7104311806	 0.107414
+H	-3.8640075587	 0.1068773464	-1.7072276377	 0.104173
+H	-2.7568191695	 1.1733436205	 0.3951155732	 0.099254
+19
+0 5734	3.1786763	1.1979531	0.9825225	2.5382	79.08	-0.2174	0.00776	0.22516	1239.7036	0.156546	-422.542229	-422.533717	-422.532773	-422.575687	32.492
+O	 1.2672543196	 0.6473188092	 0.0894452407	-0.422677
+C	 0.1186199785	-0.1642085391	-0.0382038094	-0.053894
+C	-1.0883483048	 0.6616621916	-0.4963701592	 0.032002
+O	-0.7372370359	 1.3187662686	-1.729558762	-0.331641
+C	-1.6296546507	 0.9178855265	-2.7543766203	 0.43336
+C	-1.0817627871	 0.7569616267	-4.1487209062	-0.324583
+C	-1.9791866376	 1.9319596116	-3.8120502767	-0.325335
+C	-2.6006632467	-0.0018398326	-2.1253036914	-0.160869
+C	-2.3136367125	-0.1430087357	-0.8343116451	-0.12324
+H	 1.3374184043	 1.1297011501	-0.7434154959	 0.289473
+H	 0.2761473339	-0.9875201269	-0.7533217786	 0.085808
+H	-0.0786033672	-0.6027077055	 0.9465800637	 0.10243
+H	-1.2825618847	 1.436954763	 0.260763392	 0.091459
+H	-0.0236364357	 0.9585544946	-4.273688632	 0.124172
+H	-1.4709846667	-0.0405704223	-4.7729037433	 0.115847
+H	-1.5103374952	 2.9045532374	-3.7130943718	 0.12774
+H	-2.9909150462	 1.9494065693	-4.2032126321	 0.115628
+H	-3.4130319435	-0.4628017132	-2.672073932	 0.11375
+H	-2.8450955218	-0.7456941531	-0.1096170504	 0.110569
+19
+0 5735	4.0945073	1.2024792	1.1326416	2.8561	77.29	-0.223	0.05139	0.27439	1139.8071	0.155479	-422.392777	-422.384683	-422.383739	-422.42523	31.312
+C	 1.5363303546	-0.0749360414	-0.0938989841	-0.241354
+O	 0.1347306467	 0.0934626269	-0.1667023857	-0.226506
+C	-0.4177629384	 0.6580823788	 0.9829228472	 0.072356
+C	-0.2626095141	 2.264293617	 1.156883053	-0.38092
+C	-1.6899679053	 2.2903448088	 0.6053770884	 0.383827
+C	-2.0104942656	 1.9783322955	-0.8871470982	-0.257535
+C	-3.0800030396	 1.3686229757	 0.0120453033	 0.002058
+O	-3.1206148939	 2.6846363175	 0.7911691961	-0.382327
+C	-1.9878182868	 0.8694014966	 1.0136901376	-0.057083
+H	 1.8184338432	-0.7111508429	 0.7586804772	 0.111255
+H	 1.8497807283	-0.5606072882	-1.0204227783	 0.134005
+H	 2.0625979481	 0.8856309386	 0.0008640348	 0.11357
+H	-0.0771883021	 0.1112819661	 1.8734632096	 0.084702
+H	-0.1878088681	 2.521136898	 2.2160882186	 0.122523
+H	 0.5181773878	 2.7759680692	 0.5875603787	 0.111484
+H	-2.3343743533	 2.842733804	-1.466841278	 0.102278
+H	-1.3411952123	 1.3073243034	-1.4219046941	 0.127931
+H	-4.0643606507	 0.9558758808	-0.2223749583	 0.091865
+H	-2.3590251384	 0.7664419555	 2.0340910521	 0.08787
+19
+0 5736	3.6797343	1.1226228	1.024077	0.9387	76.73	-0.22883	0.04998	0.27881	1206.0712	0.156197	-422.411889	-422.403885	-422.402941	-422.444296	31.51
+O	 1.6747710089	 0.8040386183	-0.0414187939	-0.417062
+C	 0.3280400242	 0.4106386391	-0.2245559955	-0.083432
+C	-0.0082752507	 0.2095851976	-1.6933525643	-0.051052
+C	-1.4607006736	-0.3710515165	-2.0404858988	-0.367385
+C	-0.6965283091	-1.1751325289	-3.0949644029	 0.38723
+C	-0.0522061567	-0.5270360947	-4.3582527129	-0.25533
+C	 0.8692141103	-1.6063227708	-3.8013146102	 0.005777
+O	-0.350757209	-2.5144206616	-3.6611643793	-0.377345
+C	 0.6069240135	-1.108570804	-2.3390950573	-0.06103
+H	 2.227951629	 0.130811403	-0.4535278395	 0.287535
+H	 0.0928499041	-0.5069844344	 0.3399031952	 0.087196
+H	-0.2852503732	 1.2162202616	 0.1948094235	 0.113451
+H	 0.2029335969	 1.1283792864	-2.2415292172	 0.100393
+H	-1.8308088783	-0.9862588553	-1.2152135109	 0.124592
+H	-2.2393420657	 0.3204944458	-2.3717791801	 0.112961
+H	-0.542628614	-0.7779258539	-5.2981017187	 0.110011
+H	 0.2733701041	 0.5134249948	-4.3088252788	 0.102588
+H	 1.7429855877	-2.092802713	-4.2417548586	 0.09351
+H	 0.7087876116	-1.9021620235	-1.5942846698	 0.087391
+19
+0 5737	4.6121406	1.0701806	1.038678	2.4582	76.84	-0.2436	0.05775	0.30135	1207.2858	0.157223	-422.425001	-422.417305	-422.41636	-422.457104	30.653
+O	 1.6221575493	 0.3829819145	 0.0520268234	-0.421038
+C	 0.2580957367	 0.0873816235	-0.1692445965	-0.074055
+C	-0.0461315245	 0.0222378623	-1.6506069142	 0.037564
+O	 0.3000397177	 1.3476940973	-2.2768336619	-0.388782
+C	-0.9264491279	 1.1994974256	-3.0023550302	 0.425192
+C	-1.0159302083	 0.189062025	-4.1877075803	-0.268884
+C	-2.3459259196	 0.1166287113	-3.4190334274	-0.099351
+C	-2.3358133068	 1.7267025944	-3.3927566834	-0.299354
+C	-1.5492391758	 0.1977248463	-2.0594903973	-0.09028
+H	 1.8028933204	 1.1964102056	-0.4346130484	 0.297116
+H	 0.0569986751	-0.8871395294	 0.2902969929	 0.113968
+H	-0.3995605807	 0.8311327725	 0.306366256	 0.090094
+H	 0.5370760563	-0.7639558907	-2.1351227871	 0.100819
+H	-1.0497943365	 0.6135280829	-5.1928214593	 0.095664
+H	-0.3748944073	-0.6915225678	-4.1436382687	 0.102545
+H	-3.2174065328	-0.4919495976	-3.6629218355	 0.08901
+H	-2.4738867185	 2.2192784514	-4.3598717963	 0.103026
+H	-2.916891528	 2.1991813459	-2.5984743531	 0.108683
+H	-2.1190511387	 0.6269066571	-1.2323648226	 0.078063
+19
+0 5738	3.054844	1.3346832	1.1920423	2.1652	78.92	-0.22385	0.00961	0.23346	1129.647	0.156647	-422.503924	-422.49553	-422.494586	-422.537201	31.
+C	-0.2954601058	 1.1822995308	-0.0216039985	-0.234248
+O	 0.3465760026	-0.0689108995	 0.0856542169	-0.226811
+C	 0.8408691308	-0.5516207943	-1.126614238	 0.077851
+C	-0.2549438491	-1.2647495489	-2.0341430539	-0.358098
+C	 0.1641171641	-2.5241942155	-1.3086220148	 0.217783
+C	-0.2540931849	-3.3788636336	-0.3841462466	-0.224596
+C	 0.8679278253	-3.5518371019	 0.627503081	-0.101595
+O	 1.8371627403	-2.5290527084	 0.3200956096	-0.273108
+C	 1.5000453451	-1.9801525535	-0.9274585391	 0.088602
+H	 0.3845374025	 1.9525637477	-0.4174375973	 0.107034
+H	-1.1829828025	 1.1413227822	-0.6705164371	 0.105389
+H	-0.6090661812	 1.4697448814	 0.9846231162	 0.130804
+H	 1.4581616535	 0.202395747	-1.6372984595	 0.063729
+H	-1.2900266259	-0.9383903595	-1.9179627155	 0.117809
+H	 0.021688119	-1.2330957157	-3.0922465824	 0.113099
+H	-1.2510502712	-3.7699431638	-0.2254334093	 0.102233
+H	 0.4987208432	-3.396971685	 1.6504120305	 0.114462
+H	 1.3570481153	-4.5382451394	 0.5976775129	 0.102488
+H	 2.3197360491	-2.1095592002	-1.6485052451	 0.077173
+19
+0 5739	3.1200951	1.2413793	1.120304	1.1932	77.61	-0.22762	0.00847	0.23609	1155.0805	0.15744	-422.522432	-422.514075	-422.513131	-422.555537	31.318
+O	-0.0019510634	 1.3360266782	 0.3632873689	-0.427594
+C	 0.0008849033	-0.0099922856	-0.0978446523	-0.072151
+C	-1.4240114256	-0.5201970461	-0.0340976143	-0.0463
+C	-1.9689882185	-0.7123557289	 1.4382094564	-0.322898
+C	-1.5692305909	-2.1621792904	 1.2672553676	 0.231929
+C	-0.7020407201	-3.0785034869	 1.6803970269	-0.238989
+C	-0.1513122207	-3.7729513177	 0.4412769043	-0.107128
+O	-0.5150763491	-2.9254276224	-0.669243716	-0.280247
+C	-1.5634670877	-2.0850288091	-0.2235552875	 0.073909
+H	 0.9028179357	 1.6607133261	 0.3389218958	 0.285891
+H	 0.3671726394	-0.0811261374	-1.1329668903	 0.096775
+H	 0.6512071893	-0.6432014799	 0.5237204875	 0.089914
+H	-2.0651185453	 0.0810556403	-0.6835908379	 0.079918
+H	-1.4768267357	-0.1428835983	 2.2279107846	 0.125904
+H	-3.048373143	-0.5461319836	 1.4921325214	 0.113456
+H	-0.3053914908	-3.2421126375	 2.6743568862	 0.10307
+H	 0.9425644725	-3.8555340771	 0.4744964513	 0.110536
+H	-0.5547533615	-4.7863092646	 0.283784143	 0.104238
+H	-2.502005388	-2.329701899	-0.7405624756	 0.079767
+19
+0 5740	6.5453593	0.7442079	0.7180961	3.5081	79.34	-0.24403	-0.02355	0.22048	1592.2533	0.155093	-422.524669	-422.515649	-422.514705	-422.558749	32.645
+C	 1.6366910101	-0.4973731127	 1.1630046478	-0.386363
+C	 0.9953074879	 0.0795374441	-0.1020357508	-0.192521
+C	 1.7367949729	-0.328379263	-1.3619448861	 0.127448
+O	 1.6661083902	-1.7803865681	-1.57603239	-0.297363
+C	 0.9094768146	-1.5706592195	-2.7561605183	 0.099848
+C	 1.7365502787	-0.8216159829	-3.79672821	-0.157737
+C	 1.1402084429	-0.7174847723	-5.1439896053	 0.155932
+O	 1.7657502832	-0.7227549691	-6.1761742615	-0.269391
+C	 0.9958423056	-0.0836090581	-2.6777575799	-0.164688
+H	 1.6708086521	-1.5888854186	 1.1095153252	 0.140529
+H	 2.6618220856	-0.1330433641	 1.2903940739	 0.117503
+H	 1.0683957762	-0.2154317359	 2.053738852	 0.117045
+H	-0.0468008075	-0.2512071917	-0.1844344451	 0.105681
+H	 0.9801362816	 1.1768273387	-0.0588035241	 0.101475
+H	 2.7823181631	 0.003622029	-1.3294415034	 0.090581
+H	 0.1160049243	-2.2677015746	-2.9988138694	 0.120893
+H	 2.8183190855	-0.9135230933	-3.7646489854	 0.114079
+H	 0.0262978328	-0.6364684768	-5.1488152819	 0.064141
+H	 0.2658206401	 0.6919467688	-2.8686349878	 0.112909
+19
+0 5741	5.6417843	0.7664071	0.7300304	3.4921	79.14	-0.2477	-0.01902	0.22868	1559.9142	0.155417	-422.521714	-422.512747	-422.511803	-422.555773	32.361
+C	 1.3774528236	 0.1516253993	-0.0553881705	-0.242509
+O	-0.0024286573	-0.0687192476	 0.1434760368	-0.249524
+C	-0.5223822909	 0.6318187856	 1.2414787817	 0.147008
+C	-0.2545245628	-0.0482170691	 2.6348336402	-0.282495
+C	-1.7599482875	-0.3153013957	 2.7547020402	-0.063561
+C	-2.5090502266	 1.0061664843	 2.6726903727	-0.113704
+C	-3.9694823382	 0.9349722453	 2.9025022985	 0.15352
+O	-4.6276841703	 1.8000621262	 3.4246991637	-0.270532
+C	-2.0106571892	 0.3230582939	 1.4089396201	-0.094919
+H	 1.979378416	-0.1969198496	 0.7970807944	 0.109387
+H	 1.6694574835	-0.4112273719	-0.9446274765	 0.132087
+H	 1.595740325	 1.2182225279	-0.2188301514	 0.109613
+H	-0.2613841331	 1.6998401261	 1.1725524454	 0.069029
+H	 0.3188601312	-0.966409999	 2.4899096007	 0.120799
+H	 0.2035570774	 0.5515514181	 3.4269448864	 0.101816
+H	-2.2231352952	-1.1883662313	 3.1986039196	 0.099786
+H	-2.0411126398	 1.9238657471	 3.0212537902	 0.10028
+H	-4.4399909745	-0.0133563975	 2.5472402535	 0.066872
+H	-2.6776345114	 0.0378526478	 0.6046226543	 0.107046
+19
+0 5742	3.7783947	0.8352208	0.7344463	2.8638	78.35	-0.25057	-0.02076	0.22981000000000001	1522.5962	0.155986	-422.535186	-422.526207	-422.525262	-422.5693	32.739
+O	-0.4905763437	-1.8678080565	-0.0013862906	-0.419147
+C	 0.3660080126	-0.7395186019	 0.0395657665	-0.085153
+C	-0.0083285814	 0.2530555626	 1.1342077697	-0.009743
+C	 1.0047091645	 1.4410060295	 1.2724313125	-0.277921
+C	 1.3492259014	 0.9561455128	 2.6845335177	-0.054286
+C	 0.0872004365	 0.9402530477	 3.5342761623	-0.113676
+C	 0.2836468535	 0.6185440566	 4.9646632182	 0.153342
+O	-0.3707153139	 1.0717662563	 5.8706811875	-0.270275
+C	 0.3721623062	-0.1905795824	 2.5590635334	-0.071135
+H	-0.3710858112	-2.3654627327	 0.8135016575	 0.284685
+H	 1.4215732102	-1.0379346356	 0.1519091549	 0.086256
+H	 0.2681507397	-0.2549681893	-0.9381875593	 0.115183
+H	-1.0596928208	 0.5331635927	 1.0128693384	 0.086837
+H	 1.8426563572	 1.3409187658	 0.5767586664	 0.113004
+H	 0.6010077351	 2.4540329363	 1.1921562792	 0.109835
+H	 2.3277285161	 0.9803736501	 3.1494354536	 0.099562
+H	-0.7167337601	 1.643509105	 3.3317998238	 0.102159
+H	 1.1140046763	-0.1033559943	 5.1583492457	 0.06321
+H	 0.4622649918	-1.2123442528	 2.9139642226	 0.087262
+19
+0 5743	4.3216234	1.0005988	0.8874186	4.3714	75.42	-0.27022	0.00908	0.2793	1334.9412	0.157215	-422.571615	-422.563181	-422.562236	-422.605081	31.241
+C	 2.1842933813	-0.445866709	 1.1511362589	-0.38634
+C	 1.8479645221	 0.0806774717	-0.2472147097	-0.197438
+C	 2.2753425934	-0.8649652987	-1.3683624135	 0.015736
+C	 1.8734907224	-0.4093555066	-2.8101690466	-0.277544
+C	 0.9692678512	-1.6731461133	-2.9642895981	-0.22771
+C	 1.3911731535	-2.1249159597	-1.5459970371	 0.103797
+O	 2.1327115978	-3.2484421057	-2.1207725395	-0.256868
+C	 1.7511303688	-2.9073808625	-3.4025952383	 0.447515
+O	 2.023992193	-3.4727744473	-4.4114431704	-0.323461
+H	 1.7065536107	-1.4124129003	 1.3440317413	 0.120647
+H	 3.2641195308	-0.5835435106	 1.2705428958	 0.123284
+H	 1.8477031853	 0.2492517532	 1.9259499859	 0.11918
+H	 0.7682687528	 0.2705889822	-0.3246696832	 0.096178
+H	 2.3351364562	 1.0510512231	-0.4050372109	 0.105071
+H	 3.3311701098	-1.1293664184	-1.2586759247	 0.092175
+H	 1.2893135463	 0.5137400892	-2.8068244361	 0.115819
+H	 2.6747768067	-0.311105643	-3.5446901825	 0.124361
+H	-0.0481235222	-1.5626301738	-3.3326590058	 0.10851
+H	 0.7226076701	-2.4573010003	-0.7528242554	 0.097089
+19
+0 5744	4.4751419	0.9823201	0.8887963	3.6974	76.49	-0.23371	-0.03426	0.19945000000000002	1344.4557	0.155813	-422.538948	-422.530258	-422.529314	-422.57276	31.963
+C	 1.5995698967	 1.9478234857	-0.5537847087	-0.386078
+C	 1.5507199537	 0.4446631505	-0.2660212631	-0.195357
+C	 2.0643959239	-0.3851733316	-1.4300165079	 0.156341
+O	 1.235726577	-0.2065986463	-2.6207018792	-0.305297
+C	 0.8027015385	-1.5821365809	-2.5892747676	-0.002847
+C	 1.7619250234	-1.895308532	-1.3954644464	-0.109143
+C	 2.6698800425	-2.7532838768	-2.3175196782	-0.382939
+C	 1.7135700971	-2.4502486489	-3.4955246875	 0.409233
+O	 1.6761869144	-2.7805810086	-4.6421495489	-0.28257
+H	 1.1871867888	 2.5227780607	 0.2801746367	 0.114755
+H	 2.6283216076	 2.286498841	-0.7186134379	 0.115682
+H	 1.0206252122	 2.1819493556	-1.4513208744	 0.140461
+H	 2.1559714118	 0.2014953763	 0.6178018763	 0.097711
+H	 0.5218883677	 0.1376234977	-0.0399377304	 0.10126
+H	 3.1106149554	-0.1301445706	-1.6495650528	 0.079228
+H	-0.2833686152	-1.6996002093	-2.6306455001	 0.093535
+H	 1.4384190827	-2.3301886787	-0.4519350726	 0.086988
+H	 3.707980944	-2.4300057504	-2.4378537448	 0.132136
+H	 2.6670318479	-3.8215012534	-2.0765236124	 0.136901
+19
+0 5745	4.3381413	1.0051487	0.8930494	2.9239	76.48	-0.24025	-0.02196	0.21828999999999998	1314.4768	0.155612	-422.53315	-422.524416	-422.523472	-422.56734	31.971
+C	 1.4003524701	-0.1817644405	-0.1237577227	-0.243032
+O	 0.0128567802	 0.033512475	 0.0157096739	-0.240176
+C	-0.3288470468	 0.7327027992	 1.184792664	 0.149522
+C	-1.8625816066	 0.9155222145	 1.2776749647	-0.270285
+C	-1.6950390374	 2.4656736189	 1.2708663722	-0.155246
+C	-0.1338783411	 2.2816615253	 1.1342126444	-0.074348
+C	 0.0845408088	 2.9396382079	 2.5228943424	-0.364975
+C	-1.4488313718	 3.0561545705	 2.6653506335	 0.405811
+O	-2.1693400568	 3.4773404855	 3.5227470936	-0.294832
+H	 1.8045996817	-0.7663810743	 0.7172342966	 0.107814
+H	 1.5492867102	-0.7422426798	-1.0494886604	 0.13081
+H	 1.9629002606	 0.7615448646	-0.1881638575	 0.107408
+H	 0.1458091057	 0.2613753905	 2.0603386348	 0.061663
+H	-2.3342567807	 0.5520419811	 0.3628948398	 0.129643
+H	-2.3707324415	 0.4796033557	 2.1404012468	 0.115723
+H	-2.331602528	 3.0390481842	 0.5963631949	 0.094313
+H	 0.4361826158	 2.6716600062	 0.292576486	 0.082094
+H	 0.6075014953	 2.3587459466	 3.2894256703	 0.123806
+H	 0.5447386422	 3.9324935189	 2.4721503527	 0.134287
+19
+0 5746	4.267687	0.9660787	0.8569356	1.9789	75.7	-0.24229	-0.02406	0.21823	1338.1549	0.156292	-422.545666	-422.536959	-422.536015	-422.579756	32.265
+O	-0.7593674334	 0.7002968422	-1.2428913012	-0.419672
+C	 0.3310144223	 1.2499866653	-0.5235687019	-0.085632
+C	-0.0974210017	 1.9623280157	 0.7534866555	 0.012445
+C	 1.0918998737	 2.4791221106	 1.6194659591	-0.268399
+C	 0.6776175458	 1.5231077339	 2.7812390302	-0.148259
+C	-0.5406694778	 1.0218277678	 1.9120317517	-0.047027
+C	-1.5393670542	 1.6489128318	 2.9230143147	-0.369164
+C	-0.3344354668	 2.1630622221	 3.7392820578	 0.409935
+O	-0.2291916149	 2.7937119206	 4.7505296693	-0.295095
+H	-1.1695103461	 0.0267724214	-0.6909181868	 0.283917
+H	 1.0845484795	 0.4801611313	-0.2844696941	 0.084065
+H	 0.8074710187	 1.9658515931	-1.2027385584	 0.113411
+H	-0.8445943653	 2.7189183449	 0.4940593044	 0.080931
+H	 2.0677380793	 2.2228432204	 1.1975429417	 0.112881
+H	 1.0973809864	 3.5435209232	 1.8642098007	 0.118925
+H	 1.4518450846	 0.8928799306	 3.2201896261	 0.092121
+H	-0.6951767146	-0.0327247589	 1.6755195237	 0.062356
+H	-2.2367692119	 2.4043343349	 2.5487377869	 0.128791
+H	-2.1095664636	 0.9094554691	 3.4961710207	 0.133471
+19
+0 5747	3.8245631	1.3311649	1.195314	1.8913	73.97	-0.21736	0.0702	0.28756	1098.7109	0.15749	-422.510115	-422.502485	-422.501541	-422.542259	29.801
+C	 1.1614547584	-0.2524602707	 1.0114381204	-0.383849
+C	 0.9840100714	 0.1473094364	-0.4557771157	-0.188527
+C	 1.5741490191	-0.8689978752	-1.4238857154	 0.147207
+O	 2.9888050908	-1.0238396615	-1.1720717539	-0.279381
+C	 3.6321093722	-1.137160828	-2.415141905	 0.076248
+C	 3.4424807505	-0.0040912991	-3.4121855431	 0.060882
+O	 2.3065085852	 0.7717732627	-3.0332426707	-0.295282
+C	 1.534576711	-0.4667822332	-2.8965787682	 0.036067
+C	 2.664956176	-1.2912002206	-3.5536989532	-0.209921
+H	 0.6688177951	-1.2075340838	 1.2268418316	 0.108593
+H	 2.2215588778	-0.3598176912	 1.2546991297	 0.137048
+H	 0.7313603497	 0.502074822	 1.6768420757	 0.110001
+H	-0.0836058674	 0.2560275371	-0.6884084919	 0.089052
+H	 1.4589234107	 1.112829198	-0.6530747415	 0.122632
+H	 1.0791163233	-1.8481065326	-1.2975113574	 0.065618
+H	 4.5696102733	-1.6794212744	-2.382935642	 0.108144
+H	 4.2108528622	 0.4678249998	-4.013971476	 0.106567
+H	 0.5509632639	-0.3980813857	-3.362566489	 0.086858
+H	 2.603825087	-2.06402847	-4.3071137844	 0.102047
+19
+0 5748	3.8921983	1.3103801	1.1748719	2.5533	74.04	-0.22687	0.0732	0.30007	1101.3055	0.157793	-422.506565	-422.498888	-422.497944	-422.538854	29.646
+C	 1.3732840058	-0.221714013	-0.2502421657	-0.234709
+O	-0.0010563745	-0.1018166487	 0.0346689232	-0.248287
+C	-0.2823472924	 0.6985634327	 1.15338776	 0.176795
+C	 0.0918619759	 0.0843556896	 2.5397798345	-0.271371
+C	-1.0595160719	 0.516624409	 3.443580684	-0.092693
+C	-2.444724228	 0.0793166486	 3.0094300087	 0.104445
+O	-2.4219221692	-0.3485529583	 1.6475510214	-0.301409
+C	-1.7860963812	 0.9215505575	 1.2854218514	 0.043872
+C	-1.9935761527	 1.4730614525	 2.7082340733	-0.163749
+H	 1.9223074469	-0.7344483524	 0.5533597297	 0.108352
+H	 1.463787251	-0.8110132707	-1.1658671104	 0.128533
+H	 1.8416404451	 0.7624668857	-0.4136678899	 0.10084
+H	 0.2036774982	 1.6856090951	 1.0436436338	 0.060694
+H	 0.1525678123	-1.0041729983	 2.4448398386	 0.119504
+H	 1.0521520051	 0.4512423477	 2.9109493211	 0.097574
+H	-0.9039199484	 0.6649629012	 4.506373563	 0.087856
+H	-3.2120414755	-0.3232122857	 3.6603069834	 0.102389
+H	-2.2768256148	 1.3870725452	 0.4303176309	 0.084048
+H	-2.3328883916	 2.4481143423	 3.0271620091	 0.097315
+19
+0 5749	3.8139619	1.3779082	1.233383	1.0705	74.45	-0.23017	0.08994	0.32011	1069.4495	0.158198	-422.518907	-422.511282	-422.510338	-422.551087	29.496
+C	 1.4161519357	 0.09203768	-0.6732725267	-0.240463
+O	 1.0838473607	-0.2364427285	 0.6646595183	-0.236196
+C	 0.0759553301	 0.5479325734	 1.2022865004	 0.24484
+O	 0.5007762953	 1.9179552858	 1.3284588023	-0.291701
+C	 0.0410282023	 2.3791745049	 2.5792186282	 0.112088
+C	 0.5359982219	 1.7189496143	 3.8513559911	-0.100765
+C	 1.0277395688	 0.3088841665	 3.5249738013	-0.224872
+C	-0.2427448661	 0.1181983804	 2.6334222606	-0.113231
+C	-0.8488033249	 1.4007155668	 3.2622464309	-0.131938
+H	 1.8356052646	 1.1018668615	-0.7432746796	 0.132204
+H	 2.1599899778	-0.6357715592	-1.00428524	 0.125853
+H	 0.5350062988	 0.0275746045	-1.3294103151	 0.105244
+H	-0.8118285731	 0.5247058867	 0.5429903554	 0.054476
+H	-0.1684535629	 3.4419226545	 2.5936570017	 0.101123
+H	 0.7789546092	 2.2996351021	 4.7345571057	 0.081746
+H	 1.9939360528	 0.2022576357	 3.026490473	 0.114076
+H	 0.9907446108	-0.3399575732	 4.4027231597	 0.099498
+H	-0.7775211215	-0.8266258353	 2.7071293779	 0.079496
+H	-1.8519660902	 1.568115879	 3.6307476449	 0.088521
+19
+0 5750	3.5711418	1.3222128	1.1675456	3.0071	73.26	-0.22597	0.06828	0.29425	1092.8529	0.158493	-422.522937	-422.515312	-422.514368	-422.555062	29.967
+O	 1.3764834867	 0.7201434674	-0.1368040144	-0.422179
+C	 0.3282491502	-0.1105646685	 0.3442471872	-0.085593
+C	-0.759758009	 0.6746641968	 1.0745683811	 0.003974
+C	-1.9295881432	-0.2059593546	 1.6083431799	-0.265613
+C	-3.1824598269	 0.6295729144	 1.3457588701	-0.086084
+C	-3.4063902327	 1.0745563747	-0.0867025785	 0.102915
+O	-2.2092889799	 0.9231854937	-0.8507658345	-0.310588
+C	-1.4861139962	 1.6821783957	 0.1814033486	 0.094467
+C	-2.8103338133	 2.0321288727	 0.8938841338	-0.166709
+H	 1.8371692941	 1.0845891157	 0.6256453301	 0.2791
+H	-0.1106471664	-0.5831046425	-0.5395742701	 0.131704
+H	 0.7177898917	-0.9104935381	 0.9930370089	 0.084317
+H	-0.3031063166	 1.2263713608	 1.9103442823	 0.058921
+H	-1.9706574909	-1.1642315129	 1.078848301	 0.11006
+H	-1.8163700293	-0.4271553992	 2.6733075201	 0.100001
+H	-4.0682902782	 0.4979495228	 1.9574849766	 0.087529
+H	-4.3532777417	 1.049326531	-0.6133292102	 0.101606
+H	-0.8739406515	 2.4680047179	-0.2603313002	 0.087183
+H	-3.1421604669	 2.975743372	 1.3030004281	 0.09499
+19
+0 5751	3.7840285	1.29612	1.1665215	2.6614	73.59	-0.23433	0.08417	0.3185	1094.2139	0.158947	-422.526154	-422.518707	-422.517762	-422.558019	29.644
+O	 1.4877802572	 0.6492913011	 0.2135882437	-0.423929
+C	 0.3928966544	-0.1452967755	 0.6302373937	-0.075637
+C	-0.8586156374	 0.6995532539	 0.8112890411	 0.116441
+O	-0.5564552594	 1.7303045251	 1.7781280485	-0.298748
+C	-1.7633031875	 2.0187874308	 2.4541638381	 0.11337
+C	-2.3941855921	 0.9488659558	 3.3241180559	-0.096689
+C	-1.8955530197	-0.4208808053	 2.8700028892	-0.239637
+C	-2.1120578188	 0.0333593173	 1.3846868871	-0.094453
+C	-2.9190340369	 1.2546945236	 1.9131147331	-0.126614
+H	 1.5405553649	 1.3779001288	 0.8431371186	 0.293172
+H	 0.2232629709	-0.889593964	-0.155639698	 0.104106
+H	 0.6220947498	-0.6839002554	 1.5616922461	 0.089417
+H	-1.095886345	 1.1791283844	-0.1524244533	 0.074629
+H	-1.8557917855	 3.0555246582	 2.7544604854	 0.103028
+H	-2.8436643125	 1.1859241594	 4.2820004854	 0.084484
+H	-0.8871272974	-0.7193364648	 3.1716870809	 0.10235
+H	-2.5981658831	-1.2118999217	 3.1421113671	 0.105578
+H	-2.6015886731	-0.6724375319	 0.714981728	 0.078038
+H	-3.8604727889	 1.6499807002	 1.5560804695	 0.091096
+19
+0 5752	4.6925268	1.1401643	1.070002	1.6042	74.36	-0.23503	0.0693	0.30433	1178.5968	0.157179	-422.496454	-422.488801	-422.487857	-422.528715	29.804
+C	 2.7175961442	-0.9024537131	 1.1940899762	-0.382471
+C	 1.809247313	-0.1742902716	 0.1997730792	-0.184766
+C	 2.0360282578	-0.6190549843	-1.2411530748	 0.102956
+O	 1.7638246195	-2.0438192007	-1.3863278679	-0.28687
+C	 0.7817686251	-2.0787154925	-2.3840403125	 0.095844
+C	-0.2288441475	-0.9019043936	-2.2381509278	 0.024931
+O	-0.3803235134	-0.8178278986	-3.6928709207	-0.317332
+C	 1.056665082	-1.0177794293	-3.4922844135	 0.016353
+C	 1.0765361583	-0.0434933051	-2.2743134933	-0.089737
+H	 2.5188747409	-0.5786720361	 2.2198912131	 0.112047
+H	 2.557932907	-1.9823088316	 1.1370955815	 0.137974
+H	 3.7742983747	-0.706943477	 0.9802508086	 0.11355
+H	 0.7569885924	-0.3422500918	 0.4604267946	 0.099369
+H	 1.9790838869	 0.9088676594	 0.2543275057	 0.097331
+H	 3.0850360029	-0.4466008611	-1.5213400262	 0.081717
+H	 0.455758476	-3.0885981322	-2.6229836565	 0.101827
+H	-1.1201343012	-0.7972856055	-1.6205982803	 0.095342
+H	 1.7031622315	-1.0516130033	-4.3688057214	 0.094817
+H	 1.01850609	 1.0313186079	-2.4357294442	 0.087117
+19
+0 5753	4.4752615	1.1662367	1.0764984	2.7835	75.01	-0.22791	0.07894	0.30685	1163.5059	0.157566	-422.489169	-422.481535	-422.480591	-422.521455	29.479
+C	 1.5034357688	 0.0180059011	-0.1274340984	-0.235902
+O	 0.1130675665	-0.1129007438	 0.059063102	-0.250529
+C	-0.3887691686	 0.6310110869	 1.15259116	 0.114886
+C	-0.1308723373	-0.0367314728	 2.5454150609	-0.282956
+C	-1.5630891255	-0.3395073481	 2.9635477868	-0.033766
+C	-2.4063607811	-0.7451722376	 1.7188658231	 0.063789
+O	-3.6007748577	-0.0856468819	 2.2725272569	-0.320297
+C	-2.4876182808	 0.836269718	 2.5309626478	 0.042413
+C	-1.9065087271	 0.5958372712	 1.1076773335	-0.060391
+H	 2.078484506	-0.3576135489	 0.7324673554	 0.105884
+H	 1.7695987093	-0.5708117429	-1.008565336	 0.128621
+H	 1.7915907607	 1.067023694	-0.3002222888	 0.105016
+H	 0.0065347355	 1.6580579325	 1.1119349415	 0.063981
+H	 0.4747685123	-0.9411185144	 2.4333192232	 0.111057
+H	 0.3784375021	 0.6281367434	 3.2501700013	 0.100865
+H	-1.7738265329	-0.8369339231	 3.9094121735	 0.079159
+H	-2.5318515224	-1.7177557002	 1.2443627109	 0.095885
+H	-2.7087048781	 1.7748880584	 3.0410647607	 0.089317
+H	-2.4274802196	 1.008222318	 0.2457084658	 0.08297
+19
+0 5754	4.6317546	1.2283867	1.1509275	0.7195	75.66	-0.24584	0.10084	0.34668	1124.6111	0.158254	-422.511737	-422.504248	-422.503304	-422.5438	29.02
+C	 1.3888580409	-0.0683164868	-0.0636662989	-0.242012
+O	-0.0163280653	 0.0645253562	 0.0550508908	-0.244038
+C	-0.4195704876	 0.7269385005	 1.2119155127	 0.216457
+O	-0.0260832408	 2.1076418354	 1.2144642522	-0.296624
+C	-1.2745993214	 2.776509013	 1.1477045408	 0.137062
+C	-2.2648611832	 2.0185537796	 0.2187937368	-0.069462
+C	-3.4295629476	 2.4589649737	 1.1358056806	-0.262483
+C	-2.2887285703	 2.0991110052	 2.115231795	-0.090653
+C	-1.9345126705	 0.8615869765	 1.2248401139	-0.086378
+H	 1.8125766649	-0.614088945	 0.7932138545	 0.104238
+H	 1.5805654561	-0.6368458498	-0.9761815283	 0.125453
+H	 1.8772124131	 0.91056762	-0.1338795827	 0.129073
+H	 0.020596081	 0.2457611204	 2.0998857408	 0.065884
+H	-1.1412244678	 3.8566031259	 1.1023177975	 0.085286
+H	-2.2374366326	 1.9568416443	-0.8682111472	 0.082833
+H	-3.7276000746	 3.5106820284	 1.0899601794	 0.093185
+H	-4.3056905097	 1.8064468497	 1.1517974678	 0.098927
+H	-2.2895716666	 2.1424394773	 3.2051443835	 0.073769
+H	-2.539932818	-0.0432721447	 1.252064351	 0.079484
+19
+0 5755	4.4952488	1.1049507	1.0251516	2.1856	74.25	-0.22653	0.07066	0.29719	1184.5295	0.158033	-422.502333	-422.494666	-422.493722	-422.534624	29.859
+O	 1.471676187	 0.8338513059	-0.0564116281	-0.420087
+C	 0.123317638	 0.455433901	 0.1788369466	-0.091274
+C	-0.753713278	 1.220359963	-0.8025360586	-0.00321
+C	-0.4998412253	 0.8454050764	-2.2998475809	-0.260107
+C	-1.890246845	 0.3776586096	-2.7086086704	-0.030029
+C	-2.5553276501	-0.399642339	-1.5343251272	 0.052383
+O	-3.8827543224	 0.1226602241	-1.8873591124	-0.319257
+C	-2.9655283265	 1.263436873	-2.0121610279	 0.041812
+C	-2.2369334424	 0.8751878298	-0.6930140301	-0.050232
+H	 2.0356575884	 0.3302375915	 0.5375736476	 0.287317
+H	-0.0162711133	-0.629274435	 0.0339069804	 0.08272
+H	-0.1814014959	 0.6888098378	 1.211869078	 0.086415
+H	-0.5855171635	 2.2899564417	-0.6332908037	 0.081738
+H	-0.1575073361	 1.6996206543	-2.8909024665	 0.105712
+H	 0.2574337696	 0.0617247525	-2.3990678214	 0.109596
+H	-2.0864129626	 0.0358712505	-3.7243644583	 0.076212
+H	-2.4814320593	-1.4537923923	-1.2639720265	 0.086989
+H	-3.3823197793	 2.2246749229	-2.3162500942	 0.088411
+H	-2.7689786735	 1.0174712523	 0.2477090636	 0.074891
+19
+0 5756	4.6329407	1.166366	1.0976893	2.5621	74.73	-0.24275	0.09252	0.33527	1142.968	0.158927	-422.518235	-422.51091	-422.509965	-422.550062	29.148
+O	 1.5933085859	 0.6340185278	 0.3295988782	-0.422851
+C	 0.5695080709	-0.2672993767	 0.7009138308	-0.067566
+C	-0.3547897812	 0.3542307002	 1.7408149919	 0.075829
+O	-0.8770118485	 1.5986950547	 1.2093661101	-0.310272
+C	-2.2767099772	 1.3945350698	 1.2736447612	 0.148931
+C	-2.6468296544	-0.0577179708	 0.8542337254	-0.087205
+C	-3.8151991924	-0.0302211681	 1.8648332957	-0.258694
+C	-2.6582177172	 0.6798648655	 2.6022479589	-0.088259
+C	-1.6570728438	-0.3829725868	 2.0306018148	-0.064902
+H	 1.1448942032	 1.4596818353	 0.1092261071	 0.291357
+H	-0.0232426839	-0.5862716519	-0.1717091875	 0.082818
+H	 1.0589344813	-1.1557327837	 1.1156048639	 0.104022
+H	 0.2182763723	 0.5789401904	 2.6500786023	 0.084384
+H	-2.8169972212	 2.264473413	 0.9020613345	 0.087758
+H	-2.6339584051	-0.4785479842	-0.1513994624	 0.077153
+H	-4.6830655037	 0.5810989343	 1.6007508244	 0.095421
+H	-4.1269880007	-0.9956616205	 2.2700624083	 0.099527
+H	-2.6502779926	 1.1067963831	 3.6057205885	 0.076213
+H	-1.6209866518	-1.3857233112	 2.4570806038	 0.076336
+19
+0 5757	4.3395905	1.1037123	1.069814	2.6612	74.69	-0.24245	0.0549	0.29735	1206.6082	0.156417	-422.485957	-422.477992	-422.477048	-422.51853	30.548
+C	 1.3288064604	-0.1624266977	 1.1001998478	-0.382644
+C	 0.8946430031	 0.2611199833	-0.3059519592	-0.204113
+C	 1.7284938688	-0.3992261269	-1.389968758	 0.160301
+O	 1.5709176646	-1.8554393994	-1.378465941	-0.30751
+C	 1.0499300776	-1.8551969042	-2.710430012	 0.095589
+C	 2.0928250243	-2.0098556845	-3.862622975	-0.007297
+O	 3.2759275893	-1.3106825984	-3.4758849066	-0.219342
+C	 2.1901755917	-0.5394925078	-3.9878495878	 0.001958
+C	 1.1749260972	-0.3211042462	-2.8358088791	-0.162051
+H	 1.2659621617	-1.2490872852	 1.2045340207	 0.138407
+H	 2.3639274637	 0.134843995	 1.3008850779	 0.115191
+H	 0.6938656729	 0.2938862024	 1.8653557271	 0.10982
+H	-0.1617601755	 0.0093866818	-0.4632200348	 0.095661
+H	 0.9835370775	 1.3497072916	-0.4242408393	 0.093998
+H	 2.7872553871	-0.1354024928	-1.2931118201	 0.092582
+H	 0.1191914299	-2.4152408055	-2.8323343262	 0.082368
+H	 2.2053736126	-2.8062124774	-4.5901718169	 0.105823
+H	 2.3888512911	 0.0912560583	-4.8466659657	 0.108087
+H	 0.3235523221	 0.3264855936	-3.0385871019	 0.083172
+19
+0 5758	4.2066792	1.1184266	1.0739378	0.9145	74.91	-0.24316	0.07135	0.31450999999999996	1189.729	0.156398	-422.477337	-422.469334	-422.46839	-422.509962	30.582
+C	 1.4431174205	-0.1322703932	 0.0001970051	-0.239347
+O	 0.0448239966	 0.0382936393	 0.0521272617	-0.253499
+C	-0.3865978475	 0.7060073196	 1.2132163573	 0.161177
+C	-0.1979228515	 2.2637326327	 1.2080205896	-0.277488
+C	-1.7423959373	 2.4468107499	 1.2240886805	-0.060802
+C	-2.442063632	 2.4501381686	 2.607287484	 0.013853
+O	-1.7014296634	 1.5933522406	 3.484794996	-0.235348
+C	-2.6248677578	 0.9876060573	 2.5675669313	 0.00883
+C	-1.9265148857	 0.8942035948	 1.190049791	-0.10744
+H	 1.8117778842	-0.7132155804	 0.8603365367	 0.105179
+H	 1.6711833489	-0.6767082626	-0.9194875675	 0.124886
+H	 1.9782823439	 0.8291788261	-0.0175127282	 0.106506
+H	 0.0025034284	 0.2118938704	 2.1135599517	 0.075498
+H	 0.3447568186	 2.6863221268	 2.0553308723	 0.107476
+H	 0.2506760959	 2.6062843817	 0.2721344683	 0.104273
+H	-2.2041002758	 3.0884674843	 0.4742030433	 0.076657
+H	-3.0285964258	 3.2338899677	 3.0738054229	 0.102683
+H	-3.3843025311	 0.3442834993	 2.9978572278	 0.104128
+H	-2.4681739391	 0.3920527473	 0.3903011364	 0.082778
+19
+0 5759	3.6420939	1.180269	1.054263	2.4049	74.45	-0.24908	0.0706	0.31967999999999996	1176.2986	0.156943	-422.490637	-422.48261	-422.481666	-422.52334	30.868
+O	 1.4600877391	 0.5852952934	-0.3471722294	-0.423893
+C	 0.1031112761	 0.2991830755	-0.0394075532	-0.107711
+C	-0.6970706646	 0.3850440194	-1.3247703137	 0.042066
+C	-2.2475497374	 0.337041322	-1.1241276946	-0.273305
+C	-2.3690700121	 1.781624704	-1.6920126213	-0.060501
+C	-2.5338867597	 1.9151902413	-3.2272927089	 0.012689
+O	-1.8436037445	 0.8238322045	-3.846319733	-0.234917
+C	-1.072555742	 1.956505443	-3.4227506412	 0.010226
+C	-0.8190316964	 1.8271316863	-1.9016794067	-0.05588
+H	 1.9681114439	 0.5545551102	 0.4686361252	 0.286345
+H	-0.007829519	-0.7074845862	 0.3962641296	 0.085718
+H	-0.2963643253	 1.0181931542	 0.6962315803	 0.076993
+H	-0.314377361	-0.3436895417	-2.0422760751	 0.089922
+H	-2.7661288236	-0.4325112921	-1.6976282815	 0.11234
+H	-2.5475146755	 0.261231132	-0.0744922881	 0.092097
+H	-2.8890169412	 2.5380484877	-1.1042826468	 0.071077
+H	-3.348088447	 2.357791771	-3.7910281003	 0.099677
+H	-0.4605857349	 2.4354853666	-4.1791894523	 0.100905
+H	-0.1962656848	 2.6060133188	-1.462616229	 0.076153
+19
+0 5760	5.3344894	1.0250838	0.9474696	2.6832	75.04	-0.24464	0.06754	0.31218	1257.6398	0.157991	-422.50777	-422.499952	-422.499008	-422.540216	30.259
+O	 1.2344890651	 0.8822991489	 0.0669861888	-0.42237
+C	 0.3862682596	-0.0715693239	 0.6716790665	-0.070398
+C	-0.899978758	 0.5865143039	 1.145439223	 0.107271
+O	-1.5330889223	 1.2510491757	 0.0158816994	-0.325519
+C	-2.684358808	 0.3831093118	 0.0872810891	 0.113787
+C	-3.8045102194	 0.9620721238	 0.9341500028	-0.064089
+C	-4.5596446308	-0.1565064576	 1.5980667279	-0.299094
+C	-3.2379472084	 0.2592657733	 2.1790630527	-0.05622
+C	-2.1083875609	-0.3445548506	 1.3546117272	-0.119036
+H	 0.6832293183	 1.3455413223	-0.5767011076	 0.29278
+H	 0.1412289268	-0.8932742494	-0.022344852	 0.081508
+H	 0.928805273	-0.5016145095	 1.5215535064	 0.105866
+H	-0.6887945792	 1.3003344914	 1.9512510904	 0.08332
+H	-2.9165561973	-0.0739793506	-0.8788017582	 0.079936
+H	-4.205901554	 1.9628109416	 0.8337836071	 0.09757
+H	-5.4348598975	 0.1525376729	 2.1600057181	 0.119101
+H	-4.6675034194	-1.1224105755	 1.1090774768	 0.108697
+H	-3.1452401842	 0.6394403628	 3.189854449	 0.090859
+H	-1.9060514734	-1.4149621014	 1.4345078525	 0.076034
+19
+0 5761	4.1024236	1.1035061	0.9660953	2.8431	76.01	-0.24431	0.00574	0.25005	1238.2394	0.15845	-422.552159	-422.544163	-422.543219	-422.585085	30.397
+O	 1.6720084017	 0.6087832039	 0.1184024442	-0.422244
+C	 0.3478244145	 0.1718573103	-0.1109935764	-0.071648
+C	 0.0592694549	 0.1095564685	-1.6008278529	 0.123976
+O	 0.3021786954	 1.4168678284	-2.1911827796	-0.332284
+C	-1.0556523733	 1.4617008928	-2.7211612982	 0.095075
+C	-1.1380761206	 1.1804670839	-4.1953593967	-0.083217
+C	-1.5422404758	-0.0670458181	-4.4368516374	-0.055505
+C	-1.8306275606	-0.8563883928	-3.1787581416	-0.286204
+C	-1.4181708594	 0.1099515111	-2.0521405689	-0.111044
+H	 1.77238046	 1.4156308991	-0.4025651125	 0.293664
+H	 0.249153512	-0.8223867512	 0.3402488172	 0.104807
+H	-0.3865068825	 0.8374935415	 0.373085541	 0.080623
+H	 0.689341004	-0.6532119135	-2.0778738408	 0.080697
+H	-1.5602976916	 2.3812787412	-2.4058830587	 0.080145
+H	-0.8777618872	 1.9172761395	-4.9463725038	 0.101186
+H	-1.6649862996	-0.4994971624	-5.4245959079	 0.100959
+H	-2.890843359	-1.1330099384	-3.1152308248	 0.110851
+H	-1.2683038771	-1.7988485485	-3.1469403494	 0.11172
+H	-2.1291471159	 0.1471243747	-1.2254014627	 0.078443
+19
+0 5762	2.7452987	1.3138792	1.044906	4.1042	74.66	-0.26957	0.0081	0.27767	1200.189	0.157137	-422.571999	-422.563561	-422.562617	-422.605545	31.268
+C	 2.3631219524	 1.4697903636	-0.1821076418	-0.385851
+C	 1.7860363767	 0.0514150648	-0.1334973363	-0.19652
+C	 2.132020067	-0.7644166536	-1.3740549228	 0.025376
+C	 1.4605236352	-0.3988034411	-2.7423463779	-0.265501
+C	 0.9314722946	-1.8409473255	-2.8589494256	 0.111648
+O	-0.4048884272	-1.9768847051	-2.2753715983	-0.257013
+C	 0.1144305842	-2.3582380026	-1.05505085	 0.461465
+O	-0.4904142295	-2.6541708281	-0.0754093607	-0.332768
+C	 1.5668081408	-2.2243010036	-1.5008922465	-0.266582
+H	 2.0967732226	 2.033973469	 0.7163516491	 0.120593
+H	 3.4564556826	 1.4513185561	-0.253081695	 0.114849
+H	 1.9845287453	 2.0256882329	-1.0467708423	 0.119833
+H	 2.1634604251	-0.4721473755	 0.7538975238	 0.108215
+H	 0.6966868023	 0.099085141	-0.0152639463	 0.117039
+H	 3.2195402865	-0.8015694623	-1.4922188666	 0.085392
+H	 0.6635172649	 0.3473145841	-2.7018833026	 0.121752
+H	 2.1693595186	-0.1193155316	-3.5246767602	 0.11277
+H	 1.015275833	-2.4048139154	-3.786053015	 0.100337
+H	 2.2293303051	-3.0658346971	-1.309427435	 0.104967
+19
+0 5763	2.7206011	1.3303556	1.0663758	1.8026	75.68	-0.24626	-0.0293	0.21696000000000001	1190.7158	0.15566	-422.543758	-422.535083	-422.534139	-422.577591	32.039
+C	-0.3227369808	 1.7702375031	-0.4838801669	-0.384177
+C	 0.0828115311	 0.3221121738	-0.1909666692	-0.195439
+C	 1.0118782958	-0.2332807367	-1.2540800873	 0.14632
+O	 0.4086231609	-0.3169092635	-2.5752421996	-0.311429
+C	 0.8233090711	-1.6849255228	-2.7409716075	 0.117537
+C	-0.3039004861	-2.6881134822	-2.3991516302	-0.363976
+C	 0.2047604988	-2.6781478125	-0.9400298777	 0.413438
+O	-0.1408422927	-3.2309604028	 0.0626039584	-0.299869
+C	 1.3783224496	-1.7426126599	-1.2834475712	-0.251977
+H	-1.0050364014	 2.1494235595	 0.2820801296	 0.116397
+H	 0.5520389657	 2.4294320054	-0.5101503363	 0.114723
+H	-0.8240158127	 1.8395699306	-1.4534532589	 0.137587
+H	 0.595332935	 0.2553245153	 0.7774510757	 0.107474
+H	-0.808326348	-0.3110095055	-0.1182075382	 0.110149
+H	 1.9219827901	 0.3813357251	-1.3120156729	 0.08322
+H	 1.4156009436	-1.8479565502	-3.6427299573	 0.088276
+H	-1.3265005996	-2.346355198	-2.5746844001	 0.138898
+H	-0.1687259372	-3.6764778178	-2.8539746849	 0.133122
+H	 2.3789558669	-2.036962291	-0.9702154255	 0.099726
+19
+0 5764	2.3104318	1.725938	1.1588055	2.6906	75.67	-0.23796	-0.02145	0.21651	1097.6992	0.155947	-422.534392	-422.525794	-422.52485	-422.568169	31.835
+C	 1.6055495965	-0.0377893373	 0.0597355923	-0.25114
+O	 0.2026742981	 0.1171296429	-0.0620893561	-0.232849
+C	-0.3926422513	 0.7062370798	 1.0566995272	 0.140318
+C	-1.9085555352	 0.9588250241	 0.8728778207	-0.267572
+C	-1.7035037395	 2.4774861062	 1.1093452952	-0.027943
+C	-1.4373227241	 3.2981181187	-0.1841868668	-0.355887
+C	 0.0674208707	 3.0203842631	-0.0090561945	 0.441539
+O	 1.0463334988	 3.3305424482	-0.6249527494	-0.309108
+C	-0.15113458	 2.2449536393	 1.2927289374	-0.222836
+H	 1.865037599	-0.6374513256	 0.9458119996	 0.101762
+H	 1.9479850518	-0.561366013	-0.8354154396	 0.13025
+H	 2.1141117392	 0.9330702245	 0.1208857777	 0.134398
+H	-0.1553369273	 0.1356077744	 1.9673900738	 0.072951
+H	-2.2750974888	 0.6869497193	-0.1201197176	 0.113832
+H	-2.5266462682	 0.4612645694	 1.6229060779	 0.107277
+H	-2.3144367788	 2.9562974125	 1.8722107603	 0.077384
+H	-1.8917256768	 2.9422173901	-1.113467679	 0.129432
+H	-1.6526884742	 4.3674673222	-0.0806378108	 0.131942
+H	 0.4434637302	 2.537665391	 2.1589481417	 0.086252
+19
+0 5765	2.6283538	1.3009532	1.0170511	3.4354	75.1	-0.24173	-0.02528	0.21645	1200.2723	0.15637	-422.544527	-422.535825	-422.534881	-422.578563	32.277
+O	 3.3454206628	-0.7923860452	-0.2933214821	-0.418949
+C	 2.65653452	 0.4489099462	-0.2550135581	-0.090672
+C	 1.39815211	 0.4257870677	-1.1121341331	 0.013104
+C	 1.5518811119	 0.4401342405	-2.6668772835	-0.268707
+C	 0.6030829857	 1.6656982013	-2.7645086874	-0.021426
+C	 1.3226838768	 3.0408335074	-2.7852037108	-0.358016
+C	 1.3015531601	 3.0322362208	-1.2425011904	 0.416639
+O	 1.7082026019	 3.7861107584	-0.4059910883	-0.304171
+C	 0.5132986751	 1.7142316402	-1.1890978722	-0.190701
+H	 3.6678007435	-0.9224077793	-1.1909444583	 0.284057
+H	 2.3934652247	 0.6166614038	 0.7948111504	 0.122066
+H	 3.3134671024	 1.2796056202	-0.5564455258	 0.092969
+H	 0.7867844626	-0.4232371095	-0.7944847529	 0.092512
+H	 2.5670910622	 0.6352406387	-3.0319079339	 0.09161
+H	 1.1832698451	-0.46103698	-3.1608736872	 0.111424
+H	-0.2778502425	 1.5660738602	-3.3960728773	 0.078705
+H	 2.3034977713	 3.1030604524	-3.2661523606	 0.123897
+H	 0.6982593527	 3.8539005022	-3.172771977	 0.134411
+H	-0.4062313063	 1.725202104	-0.6019351215	 0.091249
+19
+0 5766	2.2058292	1.4629835	0.9635802	2.5592	77.2	-0.25677	-0.03897	0.2178	1244.3167	0.154984	-422.530762	-422.521738	-422.520794	-422.564698	32.939
+C	 1.12696908	 1.3840929047	 0.2113928891	-0.384921
+C	 0.8483638028	-0.1077791336	 0.0042687106	-0.197505
+C	 1.7062425922	-0.7135454408	-1.1052722688	-0.065683
+C	 1.2938456272	-0.2996014974	-2.5674285933	-0.260595
+C	 1.0126186086	-1.7737000921	-2.8781617591	-0.031697
+O	 2.191919536	-2.5127668596	-2.632990001	-0.273571
+C	 1.3869532599	-2.172003062	-1.4859756962	 0.316106
+C	 0.8608549846	-3.3092090582	-0.7103043581	 0.059371
+O	 0.5608549176	-3.2649181238	 0.4587629395	-0.261401
+H	 0.4991401225	 1.7924059692	 1.008816271	 0.117833
+H	 2.172705279	 1.5553434403	 0.4894618224	 0.118026
+H	 0.927820154	 1.963252532	-0.6969986505	 0.11544
+H	 1.0294453582	-0.6590683062	 0.9316054517	 0.128152
+H	-0.2131402701	-0.2591790936	-0.232117932	 0.095004
+H	 2.7695480409	-0.575085845	-0.886703702	 0.087516
+H	 0.3889315672	 0.3131565678	-2.5777490079	 0.114499
+H	 2.0570670356	 0.1612371071	-3.1982743581	 0.117808
+H	 0.2823028251	-2.2100246031	-3.5516188007	 0.115978
+H	 0.7566829788	-4.2354351657	-1.3169390665	 0.089642
+19
+0 5767	2.412074	1.3087517	1.0006769	2.3924	77.68	-0.24828	-0.02654	0.22174	1248.366	0.15521	-422.528722	-422.519702	-422.518758	-422.56274	32.899
+C	 1.9285654844	-0.1875350077	 1.1837795078	-0.382493
+C	 1.401670536	 0.3441742927	-0.1532787219	-0.207268
+C	 1.9743683216	-0.4123496449	-1.3342539666	 0.090626
+O	 3.439509069	-0.3329042219	-1.4400041567	-0.298168
+C	 3.3536987513	 0.0545365909	-2.7965988849	 0.077876
+C	 2.6681672124	 1.3504745454	-2.9819155215	-0.360407
+C	 1.8082407721	 0.1075778826	-2.7630976453	 0.155725
+C	 0.8420675331	-0.3982925867	-3.7371637711	 0.059016
+O	-0.0347813862	-1.1897684034	-3.4737496673	-0.276008
+H	 1.6635913524	-1.2411985198	 1.3226348945	 0.119649
+H	 3.0184250289	-0.1071827361	 1.2263030715	 0.136902
+H	 1.510692359	 0.3764065804	 2.0224863212	 0.11485
+H	 0.309620946	 0.2481591727	-0.2011745643	 0.117187
+H	 1.6324529598	 1.4110647476	-0.2485330981	 0.097248
+H	 1.68980034	-1.4697792313	-1.2910303689	 0.105728
+H	 4.0187384822	-0.4172980862	-3.5113172891	 0.121987
+H	 2.7213815579	 2.1122186453	-2.210698914	 0.131463
+H	 2.64002589	 1.72433743	-4.001800617	 0.129233
+H	 0.97211373	-0.0019015395	-4.7706053382	 0.066856
+19
+0 5768	1.8927492	1.7710785	1.1402126	2.2534	77.76	-0.24528	-0.0209	0.22438	1137.9957	0.15549	-422.530384	-422.521281	-422.520337	-422.564729	32.674
+C	 1.5309402995	-0.0893895222	-0.066402388	-0.242541
+O	 0.1210048692	-0.1806581317	 0.0151343228	-0.241986
+C	-0.4128247053	 0.5110901982	 1.1108049373	 0.042916
+C	-1.9610074032	 0.4064092221	 1.2057738368	-0.263423
+C	-1.8336698206	-0.2331707999	 2.5935180015	-0.103469
+C	-1.0087258065	-1.4632733274	 2.54039848	-0.329705
+C	-0.2761484945	-0.1340889009	 2.5013221096	 0.259267
+C	 0.641611516	 0.284755626	 3.560694577	 0.048996
+O	 1.5535941863	 1.066172571	 3.4092290295	-0.27848
+H	 2.0201721897	-0.4899677228	 0.831915638	 0.120905
+H	 1.841105651	-0.6732792202	-0.9359327083	 0.123745
+H	 1.8584391	 0.9526120626	-0.1956022723	 0.114398
+H	-0.0526902686	 1.548219967	 1.1335857187	 0.089071
+H	-2.4509675679	 1.3812031751	 1.2104450788	 0.114488
+H	-2.4191005879	-0.2260109451	 0.4406481042	 0.115507
+H	-2.4307156931	 0.0200648245	 3.46075163	 0.106222
+H	-0.9063798325	-2.0135764103	 3.4706302452	 0.124783
+H	-0.9814818697	-2.0725277793	 1.641661176	 0.137074
+H	 0.4330327482	-0.1705211166	 4.558019573	 0.06223
+19
+0 5769	2.2195207	1.4168016	1.0278621	2.7145	76.99	-0.24796	-0.03075	0.21721000000000001	1199.9583	0.155975	-422.53905	-422.53001	-422.529066	-422.573122	33.069
+O	-0.5899505283	-1.3791746445	-0.1440743761	-0.4185
+C	 0.1189347986	-0.1511209887	-0.0952149418	-0.08829
+C	-0.2596796883	 0.7677498156	-1.2501765988	-0.073892
+C	 0.5612137531	 2.0800174299	-1.4822232094	-0.268847
+C	 0.8723152543	 1.630838676	-2.9141089029	-0.069138
+C	 1.5802257413	 0.3285846985	-2.9390700901	-0.330488
+C	 0.0888935327	 0.2947547161	-2.6738814457	 0.225198
+C	-0.8403704148	-0.3069339698	-3.6415087783	 0.048554
+O	-0.549964073	-0.6272401532	-4.7728601837	-0.276109
+H	-0.2779207949	-1.8658459246	-0.9141361492	 0.288186
+H	-0.1496008131	 0.3173779774	 0.8580864856	 0.113021
+H	 1.2073835071	-0.3181836153	-0.0751163658	 0.086473
+H	-1.3302882189	 0.9871251021	-1.1848981884	 0.088639
+H	-0.0536606958	 2.9793929695	-1.4255920921	 0.115862
+H	 1.4404129673	 2.2178793014	-0.8433807247	 0.105744
+H	 0.7819832432	 2.2445493531	-3.8017897433	 0.114648
+H	 1.8428007623	-0.0477158732	-3.921676897	 0.148356
+H	 2.2681977558	 0.0630804487	-2.1407373978	 0.116643
+H	-1.8791468187	-0.4330471293	-3.2591228003	 0.073941
+19
+0 5770	3.7852187	1.0586835	1.0484568	2.683	75.25	-0.24863	-0.0135	0.23512999999999998	1238.9792	0.1571	-422.550815	-422.542521	-422.541577	-422.583856	31.229
+C	 3.3555323155	 1.2526802136	-0.5932300833	-0.386741
+C	 2.4306061585	 0.0401277876	-0.450684619	-0.19734
+C	 2.6507798395	-1.0241424062	-1.5296232839	 0.027011
+C	 2.2379947413	-0.5807507332	-2.9830855271	-0.252428
+C	 1.1649329097	-1.6494587299	-3.258394297	-0.045795
+O	 0.4430561824	-1.7121084228	-1.9832207012	-0.291601
+C	 1.6890281814	-2.2275539762	-1.4032163049	-0.076734
+C	 1.8471680177	-2.9461702707	-2.7621078733	 0.453334
+O	 2.146421535	-4.0189648267	-3.1800294849	-0.313938
+H	 3.1677093015	 1.9837198358	 0.1988378331	 0.118238
+H	 4.40871768	 0.9567383417	-0.5311880626	 0.115918
+H	 3.2119224095	 1.761769431	-1.552140939	 0.119246
+H	 2.5860552852	-0.4185371252	 0.5344619676	 0.096462
+H	 1.3822241286	 0.3583426432	-0.4832350371	 0.113727
+H	 3.692090466	-1.3660726153	-1.5011015135	 0.083964
+H	 1.8005882252	 0.4208643999	-2.9984976073	 0.117564
+H	 3.0610455394	-0.6126983082	-3.7016822611	 0.115477
+H	 0.5266071532	-1.5814575129	-4.1369317039	 0.103273
+H	 1.5680896403	-2.7322039453	-0.4462837415	 0.100364
+19
+0 5771	3.7505176	1.1010207	1.089366	2.7498	75.79	-0.22768	-0.01836	0.20932	1207.7704	0.156958	-422.548696	-422.540425	-422.539481	-422.581665	31.336
+C	 0.5723435908	 0.9540166732	-0.0453543704	-0.381112
+C	 0.7519599972	-0.563912812	-0.1535877706	-0.203379
+C	 1.7979108569	-0.9479269582	-1.1924064995	 0.149419
+O	 1.4429134293	-0.4275228765	-2.513903011	-0.297254
+C	 1.5051151846	-1.5888602024	-3.3532263977	-0.014284
+C	 0.7647809021	-2.6711639411	-2.5209612918	-0.262977
+C	 1.9588684941	-2.4473146162	-1.5267549855	-0.212541
+C	 2.7826938479	-2.2959012061	-2.8322434119	 0.438472
+O	 3.8285659342	-2.6796458139	-3.2548478444	-0.312603
+H	-0.1880578163	 1.2062214868	 0.6992223363	 0.113385
+H	 1.5070113333	 1.442586503	 0.2509496085	 0.116304
+H	 0.2655521625	 1.3732139313	-1.007025767	 0.139053
+H	 1.071085486	-0.9762009724	 0.8124189981	 0.098716
+H	-0.2061090269	-1.0353566823	-0.3979318841	 0.099326
+H	 2.7649231253	-0.5137703559	-0.9006811216	 0.087839
+H	 1.2902903869	-1.3352697339	-4.3878639609	 0.101531
+H	-0.2330902141	-2.3975016316	-2.1774057952	 0.121345
+H	 0.7715457629	-3.662036316	-2.9788324656	 0.123683
+H	 2.2253351735	-3.133359276	-0.7266649157	 0.095078
+19
+0 5772	3.7391672	1.1177497	1.1015718	2.85	75.9	-0.23731	-0.00507	0.23224	1186.1973	0.157639	-422.551151	-422.542994	-422.54205	-422.583953	30.846
+C	 1.3728692742	-0.0876710875	-0.1306809647	-0.243118
+O	-0.0132081887	-0.136863718	 0.1252633947	-0.248053
+C	-0.4180350047	 0.672085632	 1.2088895227	 0.143738
+C	-0.1044145147	 0.0484056542	 2.6218689926	-0.26065
+C	-1.5434980929	-0.1483377793	 3.1522285445	-0.144302
+C	-2.2750244845	-0.6962953064	 1.8821277384	-0.243468
+C	-1.9526395168	 0.7107996608	 1.269982571	-0.171531
+C	-2.1708175226	 1.1906122489	 2.7223028754	 0.427093
+O	-2.7301038058	 2.1022093585	 3.2534087094	-0.323117
+H	 1.968342084	-0.466094455	 0.7136505212	 0.107852
+H	 1.5626149046	-0.718779887	-1.0019406669	 0.130825
+H	 1.7061868003	 0.9377771292	-0.3537911007	 0.108556
+H	 0.0135039181	 1.677503751	 1.0989643687	 0.074871
+H	 0.4173747734	-0.9060639787	 2.5099876675	 0.115039
+H	 0.4964408869	 0.7037871709	 3.2575628514	 0.11137
+H	-1.6786502715	-0.571309295	 4.1454483756	 0.084695
+H	-1.8095675487	-1.5443736678	 1.3790504142	 0.124294
+H	-3.3422074674	-0.8611588126	 2.0358092236	 0.117275
+H	-2.4820332031	 1.132766572	 0.4195038413	 0.088632
+19
+0 5773	3.6197884	1.0714256	1.0591764	3.811	75.2	-0.23292	-0.00115	0.23176999999999998	1206.4066	0.158146	-422.562588	-422.554381	-422.553437	-422.595452	31.227
+O	-1.2939748193	-1.2827606552	-0.3706170667	-0.419522
+C	-0.5406954032	-0.0923173447	-0.1880231695	-0.108305
+C	-0.8598848244	 0.8269711765	-1.3584403788	 0.035978
+C	-0.4578317123	 0.2510655109	-2.7670866609	-0.231481
+C	 0.4276495373	 1.4038196566	-3.2956478086	-0.139482
+C	 1.3027123069	 1.7247288546	-2.0388818133	-0.251123
+C	-0.0574308524	 2.1513806651	-1.3853994989	-0.169621
+C	-0.3836149301	 2.623897891	-2.819562504	 0.437117
+O	-0.8920707775	 3.5819954322	-3.3190931282	-0.325524
+H	-1.0742902516	-1.8924747805	 0.3396665774	 0.289032
+H	-0.8075375338	 0.4082389145	 0.7566387632	 0.088939
+H	 0.5382358778	-0.3095827556	-0.1505695171	 0.084417
+H	-1.9342710519	 1.0348345291	-1.3221751349	 0.093564
+H	 0.1030079352	-0.6829446663	-2.6747002645	 0.112361
+H	-1.3246533836	 0.0588543921	-3.4028112775	 0.115337
+H	 0.8389885011	 1.3277724348	-4.3000460707	 0.082571
+H	 1.8287944311	 0.8799500247	-1.5903150951	 0.107002
+H	 1.9833984385	 2.5648047785	-2.1867319813	 0.117826
+H	-0.1198650976	 2.8166631718	-0.5261026309	 0.080914
+19
+0 5774	3.8323715	1.2728739	1.2071567	1.5381	74.83	-0.24505	0.	0.24505	1111.351	0.158147	-422.555768	-422.548097	-422.547153	-422.587879	30.081
+C	 1.3720700229	-0.1858870413	 1.0966832464	-0.384183
+C	 0.9520314308	 0.2990810767	-0.2932042807	-0.192419
+C	 1.6373119928	-0.4656291903	-1.4213446067	 0.151001
+O	 1.3296947799	-1.8711457493	-1.3409578984	-0.294618
+C	 0.6482928087	-2.1544050388	-2.5851240884	 0.136973
+O	-0.082409425	-0.9760610436	-2.8365509135	-0.232732
+C	 1.0782385604	-0.1223233155	-2.8477137208	-0.04576
+C	 1.99078189	-0.8353612886	-3.836726072	-0.098111
+C	 1.7142477508	-2.1306283957	-3.6804032351	-0.083898
+H	 1.1408874723	-1.2473530148	 1.2167686865	 0.13566
+H	 2.4489884518	-0.0571097301	 1.2541572396	 0.109965
+H	 0.851321514	 0.3714633776	 1.8811267423	 0.109943
+H	-0.1306196934	 0.1947941123	-0.4211699132	 0.113687
+H	 1.1923679279	 1.3647403506	-0.4076835463	 0.08783
+H	 2.7257808564	-0.334845971	-1.3755009079	 0.074975
+H	 0.0073723721	-3.0243924455	-2.4603381266	 0.094931
+H	 0.8082772621	 0.9165371802	-3.0254457535	 0.090698
+H	 2.773607516	-0.3674471812	-4.4170478535	 0.111794
+H	 2.2044444593	-2.9962006117	-4.1024495082	 0.114265
+19
+0 5775	3.6095549	1.3226285	1.2113514	2.1848	75.16	-0.23559	0.00752	0.24311	1093.9534	0.158328	-422.54398	-422.536271	-422.535327	-422.576236	29.895
+C	 1.4491454664	 0.0564827688	-0.1478223631	-0.243485
+O	 0.0744371428	-0.122292758	 0.1003220402	-0.247205
+C	-0.3871216464	 0.5328749031	 1.2629847621	 0.16917
+C	-1.9385704868	 0.4965802066	 1.2746795935	-0.259159
+C	-2.2099444692	-0.2769377042	 2.6011807643	 0.021222
+O	-1.1373251865	-1.2252662665	 2.5864865396	-0.239017
+C	-0.0780036649	-0.2632725856	 2.584680539	-0.032118
+C	-0.4698190736	 0.6531502848	 3.7395740087	-0.081587
+C	-1.8021279248	 0.6476669836	 3.7500786024	-0.082604
+H	 2.0821576257	-0.3768760651	 0.6411059542	 0.104365
+H	 1.6755491128	-0.4502234462	-1.0890434638	 0.129095
+H	 1.7083982299	 1.1228114253	-0.2466037583	 0.103059
+H	 0.0213810737	 1.5523934297	 1.3028232244	 0.060634
+H	-2.3992510899	 1.485258382	 1.2437772854	 0.100151
+H	-2.2738824263	-0.0851809797	 0.4142080271	 0.123791
+H	-3.17208002	-0.7822167435	 2.6725543475	 0.08188
+H	 0.8931621023	-0.753943742	 2.6243405142	 0.081283
+H	 0.2125764776	 1.2482342332	 4.3308082127	 0.104896
+H	-2.4799352329	 1.2327930836	 4.3565939498	 0.105629
+19
+0 5776	3.2879337	1.4397903	1.3698116	0.7931	75.21	-0.24065	0.01033	0.25098	1034.9972	0.158634	-422.553018	-422.545423	-422.544479	-422.585024	29.723
+C	 1.4120305687	-0.1174622975	-0.0101524019	-0.242558
+O	-0.0009363829	-0.1109544179	 0.0700091921	-0.244266
+C	-0.4933167119	 0.5902711906	 1.1674252417	 0.256436
+O	-0.1264104069	-0.0065284739	 2.4119293784	-0.305544
+C	-1.3850792595	-0.3650499985	 3.0727028759	 0.062754
+C	-2.2622995873	 0.8394450429	 2.6946562642	-0.221661
+C	-2.0501257937	 0.5625100739	 1.183033326	-0.145996
+C	-2.4287744602	-0.9091839188	 1.1160761936	-0.05512
+C	-2.0367692742	-1.4730515299	 2.2631067716	-0.079063
+H	 1.8583437411	-0.6336485347	 0.8476380209	 0.128363
+H	 1.677597702	-0.6427760575	-0.9302135434	 0.1232
+H	 1.8158650918	 0.9060617531	-0.0546601691	 0.101909
+H	-0.0959334745	 1.6193274433	 1.1583896401	 0.063435
+H	-1.1638654681	-0.5544742771	 4.1213567844	 0.074893
+H	-3.3058170934	 0.7427431016	 2.9975058358	 0.105198
+H	-1.8465289126	 1.7897119314	 3.04227564	 0.100932
+H	-2.5116555739	 1.2335840677	 0.4607059563	 0.073088
+H	-2.8327066023	-1.3979376706	 0.2399436285	 0.104791
+H	-2.0474292422	-2.5214054079	 2.5300066648	 0.099208
+19
+0 5777	3.7488582	1.2225457	1.1570303	0.7944	74.47	-0.24399	0.0127	0.25669000000000003	1117.6339	0.158926	-422.559226	-422.551514	-422.55057	-422.591403	30.237
+O	 1.426634379	 0.5836377717	-0.4536252435	-0.424843
+C	 0.0845692225	 0.3535283649	-0.0454545671	-0.106295
+C	-0.8038691746	 0.3975865699	-1.2818021694	 0.043243
+C	-0.467850587	-0.7262177661	-2.3081903129	-0.227658
+C	-1.8117379902	-1.523282585	-2.3275944298	 0.017888
+O	-2.2199780506	-1.4141675543	-0.9557807301	-0.248847
+C	-2.2855720223	 0.017894158	-0.9308791366	-0.007705
+C	-3.1303665197	 0.3225264167	-2.1627701057	-0.083218
+C	-2.8385691784	-0.642803891	-3.0339448248	-0.07922
+H	 1.9959358493	 0.4756295673	 0.3137739343	 0.285734
+H	-0.0268227902	-0.6285349237	 0.4382927005	 0.099448
+H	-0.2444294824	 1.1218738978	 0.6737022452	 0.080258
+H	-0.7388071985	 1.3937678092	-1.7272366917	 0.07739
+H	-0.1868431511	-0.3450257986	-3.2916305124	 0.100768
+H	 0.3482364422	-1.3515353686	-1.9401700784	 0.112142
+H	-1.7467924294	-2.5683109447	-2.6278612727	 0.078209
+H	-2.6509240865	 0.3698985822	 0.0342856611	 0.074985
+H	-3.7400741262	 1.204715741	-2.3020773915	 0.103899
+H	-3.1526373859	-0.7462063666	-4.0636367145	 0.103821
+19
+0 5778	3.243719	1.360697	1.3012155	2.6912	74.5	-0.23677	0.0006	0.23737	1054.3019	0.159438	-422.559664	-422.552243	-422.551299	-422.591433	29.823
+O	 1.6466350299	 0.4518941644	 0.0510710655	-0.424448
+C	 0.2645211834	 0.1892247999	-0.1084331859	-0.079105
+C	-0.0947374173	 0.0811983694	-1.5846753308	 0.12599
+O	 0.3202460207	 1.2936214055	-2.2497348165	-0.315549
+C	-0.8482176798	 1.7687473964	-2.9913272067	 0.068629
+C	-1.4841352049	 0.4455125927	-3.4402365257	-0.223993
+C	-1.606336051	-0.0393524682	-1.9679351595	-0.117091
+C	-2.3177448045	 1.154479626	-1.3516085348	-0.079411
+C	-1.8669150781	 2.2521363136	-1.9703022487	-0.076685
+H	 1.8323835103	 1.2092664932	-0.5174007731	 0.290054
+H	 0.0615132775	-0.761068416	 0.3987582176	 0.098672
+H	-0.3481419975	 0.9693683329	 0.3659186494	 0.086264
+H	 0.4643596846	-0.7576171491	-2.0221122516	 0.081054
+H	-0.5001272861	 2.4739411689	-3.743741549	 0.077283
+H	-2.453146216	 0.567462123	-3.9259327102	 0.105606
+H	-0.8151728322	-0.1605861578	-4.057416717	 0.103814
+H	-2.0355552299	-1.0245276416	-1.7891416677	 0.072109
+H	-2.9828724424	 1.1037341713	-0.4988851948	 0.104178
+H	-2.0745739667	 3.2866815355	-1.7305302004	 0.102627
+19
+0 5779	2.7628031	1.3161688	0.9806542	2.8011	74.95	-0.24105	-0.02957	0.21148	1230.6553	0.156772	-422.570462	-422.561908	-422.560964	-422.604027	31.73
+C	 1.0754028431	-0.6799344701	 1.1083707014	-0.39269
+C	 0.9487481353	 0.1007803913	-0.2022201075	-0.181895
+C	 1.8063989563	-0.4647183165	-1.3371948024	-0.109818
+C	 3.3408729642	-0.3153428379	-1.1697391421	-0.262623
+C	 3.8724769518	-0.1263327181	-2.5808309955	 0.046791
+O	 3.3878601362	-1.1077051268	-3.4915085103	-0.246092
+C	 2.7683254695	 0.1949549628	-3.5062819627	-0.084435
+C	 1.5022783954	 0.2099054776	-2.689470634	 0.414201
+O	 0.4611911339	 0.7238313004	-3.0114603871	-0.325854
+H	 0.7783149842	-1.7261877941	 0.9750575957	 0.117488
+H	 2.1029975551	-0.6740274878	 1.4877229738	 0.116259
+H	 0.4353775467	-0.2484201878	 1.8838796194	 0.117559
+H	-0.0927487536	 0.1092663413	-0.5399043275	 0.121759
+H	 1.2207247908	 1.1516079164	-0.0379795072	 0.097586
+H	 1.565715519	-1.52801551	-1.4695583549	 0.117311
+H	 3.5754942309	 0.5746380676	-0.5727342273	 0.112235
+H	 3.8060029115	-1.1740160379	-0.6773530077	 0.120093
+H	 4.8856680014	 0.2233419412	-2.7621848222	 0.107333
+H	 2.8611409585	 0.7726138285	-4.4199603019	 0.114792
+19
+0 5780	2.7683735	1.3817876	1.0064737	2.1133	76.07	-0.23668	-0.02101	0.21567	1210.0535	0.156501	-422.564148	-422.555564	-422.55462	-422.597728	31.985
+C	 1.2934004529	 1.1636511623	 0.1882013017	-0.39259
+C	 0.9956953833	-0.321392884	-0.0245502084	-0.17218
+C	 1.8633330709	-0.9541357357	-1.1087657636	-0.003931
+O	 3.2419009676	-0.9340960353	-0.7296281037	-0.273366
+C	 3.8276184152	-2.1888669839	-0.9698686666	 0.111807
+C	 3.8359943675	-2.6867776314	-2.3719962748	-0.324649
+C	 2.7789913567	-3.1985046458	-1.3777598293	-0.190314
+C	 1.5024641591	-2.4325720276	-1.36017924	 0.391062
+O	 0.3788476908	-2.8596312441	-1.454255566	-0.331688
+H	 0.6657558542	 1.5775411468	 0.9829401662	 0.114728
+H	 2.3400371057	 1.3138622411	 0.4673107504	 0.134098
+H	 1.1024489679	 1.7401678922	-0.7238470986	 0.113862
+H	 1.1507623866	-0.8764669566	 0.9081479846	 0.10348
+H	-0.0480508583	-0.4782798866	-0.3180639585	 0.121057
+H	 1.7314490473	-0.3979473926	-2.0513315888	 0.101356
+H	 4.6329205492	-2.4133583613	-0.2807062103	 0.115101
+H	 3.5251305779	-2.0209900852	-3.1697248995	 0.133274
+H	 4.590794195	-3.4127703522	-2.6522332187	 0.131134
+H	 2.7708974405	-4.2422860201	-1.0941123061	 0.11776
+19
+0 5781	3.1028286	1.337428	1.0500819	2.8632	76.05	-0.22283	-0.01602	0.20681	1175.6412	0.157254	-422.559654	-422.551179	-422.550234	-422.592853	31.675
+C	 1.0143704364	 0.4950415923	-0.5372834	-0.247832
+O	 0.6682499205	-0.3077928357	 0.5794049187	-0.24207
+C	-0.1615249652	 0.3245829433	 1.5175026465	 0.006604
+C	-0.1600104099	-0.463275068	 2.8390398351	-0.252639
+C	-1.5599709624	-0.3029540569	 3.4262734463	-0.044402
+C	-2.1085599276	 1.0807743492	 3.5168880178	-0.290084
+C	-2.491715165	 0.2012826282	 2.3271611544	-0.136428
+C	-1.661277208	 0.3578176885	 1.1015773974	 0.398784
+O	-2.0596016996	 0.4111106512	-0.0365485374	-0.333887
+H	 1.5182515622	 1.4209337828	-0.2164819873	 0.097357
+H	 1.7112114313	-0.0924431181	-1.1399391025	 0.124165
+H	 0.1374927541	 0.7529273563	-1.1380064228	 0.143175
+H	 0.1708129082	 1.3658809369	 1.6751874302	 0.082188
+H	 0.0261736709	-1.5133647607	 2.5915662799	 0.127717
+H	 0.6275544946	-0.1360946795	 3.5241888841	 0.107709
+H	-1.9120494603	-1.0466849898	 4.131613843	 0.099642
+H	-2.9060534048	 1.2634744082	 4.2282653133	 0.127223
+H	-1.4586792576	 1.9342148908	 3.353614453	 0.124191
+H	-3.5211984278	-0.1137114189	 2.2157523403	 0.108585
+19
+0 5782	2.7588335	1.3165025	0.9800915	2.032	75.42	-0.23676	-0.0104	0.22636	1213.4715	0.157739	-422.578161	-422.569649	-422.568705	-422.611559	31.935
+O	-0.1651908068	 0.3781577549	-1.0896119262	-0.428755
+C	 0.3273015808	-0.2484518171	 0.0865174139	-0.093121
+C	-0.0800188898	 0.61145031	 1.2725434752	-0.117841
+C	 0.5573785526	 2.0172224812	 1.3187192491	-0.226895
+C	 0.7601323282	 2.3333022597	 2.8006134089	-0.040735
+C	-0.414768335	 2.1548091492	 3.7010550187	-0.290147
+C	 0.6236235352	 1.0394633389	 3.5941679525	-0.139229
+C	 0.3131229071	-0.0405612582	 2.6144265405	 0.414109
+O	 0.4156447486	-1.2295019707	 2.803199908	-0.345758
+H	 0.0809818934	-0.1659436531	-1.8434030714	 0.288011
+H	-0.0844405375	-1.2578142947	 0.2201157106	 0.109983
+H	 1.4251146172	-0.3419528464	 0.0603778721	 0.088186
+H	-1.1753451344	 0.6911465418	 1.2510425037	 0.11065
+H	 1.5308644681	 1.9918416154	 0.8154807669	 0.108136
+H	-0.0484306032	 2.7709426681	 0.8084999478	 0.114943
+H	 1.5173853198	 3.0579087294	 3.0773168123	 0.095059
+H	-0.4180786041	 2.6920659996	 4.6426907893	 0.12451
+H	-1.4011023743	 1.9955609287	 3.2777515799	 0.123726
+H	 1.2200604439	 0.7905247032	 4.4623336082	 0.105167
+19
+0 5783	2.5693831	1.5224207	1.4059696	1.9565	75.66	-0.2438	-0.01144	0.23235999999999998	1032.6521	0.15761	-422.531386	-422.523091	-422.522147	-422.564284	31.239
+C	 1.4102466387	-0.1234182706	-0.3204719649	-0.235865
+O	 0.0303073136	-0.0993086021	 0.0008718462	-0.257201
+C	-0.3616256389	 0.6411709702	 1.1563381122	 0.075417
+C	 0.0475961073	-0.0292073113	 2.4936383913	-0.289075
+C	 1.2269751962	 0.5728494477	 3.2249752802	 0.060577
+O	 2.4262237871	 0.8199032759	 2.4986878902	-0.250493
+C	 1.6313458367	 1.9557571313	 2.9256363019	-0.012777
+C	 0.907076105	 2.6958262355	 1.8630408068	-0.036356
+C	 0.0204190791	 2.1002448668	 1.0643655143	-0.11141
+H	 2.018600428	-0.5821325654	 0.4670628008	 0.121541
+H	 1.4919466205	-0.7177750561	-1.23421031	 0.116067
+H	 1.8102272824	 0.881040338	-0.5083349818	 0.108305
+H	-1.4551279364	 0.5854002699	 1.0945279974	 0.090767
+H	-0.8056634932	 0.0259584954	 3.1813400513	 0.111356
+H	 0.2193411503	-1.094334675	 2.3020703026	 0.123737
+H	 1.3918870158	 0.1885680177	 4.2331318198	 0.090882
+H	 2.1131750709	 2.5495543132	 3.6993623649	 0.094469
+H	 1.1266067872	 3.754151052	 1.753627489	 0.097275
+H	-0.4715997203	 2.6663872268	 0.2777820678	 0.102782
+19
+0 5784	2.9518993	1.4757156	1.2402312	0.4349	77.01	-0.23562	0.01044	0.24606	1080.9921	0.157551	-422.533784	-422.525582	-422.524638	-422.566496	31.293
+C	 1.2914165643	-0.5223621658	 0.4030372464	-0.240827
+O	-0.0906201342	-0.3906445647	 0.691774923	-0.238403
+C	-0.461961359	 0.9094944687	 1.0996507975	 0.153882
+O	 0.1358291821	 1.2712743472	 2.3311999768	-0.264539
+C	-0.4761289752	 0.8393064017	 3.5134035336	 0.122024
+C	-1.0506653974	-0.526602264	 3.7021402546	-0.326794
+C	-1.9816004763	 0.68811377	 3.5542776725	-0.124726
+C	-2.6517890854	 0.9026738141	 2.2578261818	-0.048548
+C	-1.9613523653	 0.9892650516	 1.1200672567	-0.108415
+H	 1.911070701	-0.3276368964	 1.2857625331	 0.124931
+H	 1.4493141342	-1.5496121872	 0.0676516784	 0.124869
+H	 1.5976429115	 0.1663994006	-0.399065017	 0.104665
+H	-0.0424656093	 1.6377940653	 0.3883776046	 0.078446
+H	 0.0206984142	 1.3107479062	 4.3539021824	 0.10329
+H	-1.0212700257	-1.2123335259	 2.8649144943	 0.145818
+H	-0.9645944906	-0.9762521054	 4.6858641881	 0.109595
+H	-2.5141033233	 1.0154892647	 4.4407229527	 0.088979
+H	-3.7339475912	 0.9988740365	 2.2519258253	 0.096108
+H	-2.4502867043	 1.1295195127	 0.162704295	 0.099646
+19
+0 5785	2.8381095	1.3230947	1.1900004	2.2726	75.84	-0.24219	-0.00791	0.23428	1116.8708	0.158307	-422.550498	-422.542307	-422.541363	-422.583202	31.425
+O	 1.5376170376	 0.6260276787	 0.1944921261	-0.425969
+C	 0.5020819829	-0.2360062979	 0.6363006982	-0.074902
+C	-0.4062044225	 0.4179137383	 1.7068838608	-0.056718
+C	-1.5695594844	-0.5265364692	 2.0965117514	-0.280247
+C	-1.2247571272	-1.5209523245	 3.1827921267	 0.06024
+O	 0.04728988	-2.1616735862	 3.1248496493	-0.252249
+C	-0.1805817235	-1.172371402	 4.1624409263	 0.000807
+C	 0.5100170828	 0.1312756558	 4.0195099095	-0.047195
+C	 0.3944277982	 0.8604038822	 2.906284179	-0.110991
+H	 2.2016608338	 0.6591886229	 0.8899607591	 0.283868
+H	-0.1040531412	-0.4571387704	-0.2499019936	 0.101735
+H	 0.8946369805	-1.181505926	 1.0283896751	 0.11908
+H	-0.8307488133	 1.3123063314	 1.2344968652	 0.085554
+H	-2.4180199012	 0.0656685753	 2.4620071341	 0.110371
+H	-1.9257025756	-1.0590566846	 1.2057982556	 0.109111
+H	-2.0405494578	-2.1714100411	 3.5019140256	 0.091307
+H	-0.2248737702	-1.6032940196	 5.1602691116	 0.093042
+H	 1.1009795371	 0.4831838571	 4.8598277275	 0.092253
+H	 0.9101356342	 1.8139656797	 2.8309047925	 0.100903
+19
+0 5786	3.4229184	1.2260887	0.9815512	2.4882	77.35	-0.24111	0.00663	0.24774	1214.062	0.157872	-422.540753	-422.532592	-422.531648	-422.573565	31.511
+O	 1.0542802214	 0.9041194133	 0.3778475347	-0.427201
+C	 0.4031127239	-0.3136651233	 0.6644105191	-0.059004
+C	-0.9124710999	-0.0841197857	 1.4074447901	 0.055095
+O	-0.5394882648	 0.651577321	 2.5804124378	-0.290997
+C	-1.5379443816	 0.8203710934	 3.5470793998	 0.099555
+C	-1.3862249126	 0.0197728187	 4.8116512241	-0.303992
+C	-2.464216566	-0.3350417735	 3.7940821842	-0.097936
+C	-2.3161453256	-1.4919476636	 2.8774462168	-0.097145
+C	-1.6217556928	-1.3698690513	 1.7476173218	-0.077374
+H	 1.0675222616	 1.3928627585	 1.2096385396	 0.291168
+H	 0.2024283242	-0.8093034004	-0.2914647849	 0.104888
+H	 1.0346796531	-0.9836290904	 1.2702015858	 0.091874
+H	-1.5557085446	 0.5505576569	 0.7741684249	 0.087509
+H	-1.9230861795	 1.8363972149	 3.6053672865	 0.091737
+H	-0.5184858953	-0.6276253521	 4.86232493	 0.125156
+H	-1.6960095954	 0.463258687	 5.7517330425	 0.113365
+H	-3.4838522655	-0.0981493822	 4.0858236024	 0.099519
+H	-2.8103642918	-2.4240456835	 3.1373900432	 0.097319
+H	-1.5353261389	-2.1903179577	 1.0405370815	 0.096465
+19
+0 5787	3.4961342	1.3622259	1.2913516	2.3018	74.27	-0.22114	0.0848	0.30594	1064.3796	0.157722	-422.506915	-422.499261	-422.498317	-422.539156	29.631
+C	 1.4690416691	-0.1768711261	-0.0702464798	-0.232787
+O	 0.1007109166	 0.1498402067	-0.0858634326	-0.239873
+C	-0.3471903986	 0.8009257961	 1.0869694108	 0.139279
+C	 0.0103199476	 2.3227744294	 1.1598359015	-0.245361
+C	-1.3184003058	 3.0088645342	 0.8724972394	 0.085364
+O	-1.7423847397	 2.6049288819	-0.4721793479	-0.302637
+C	-2.6052972638	 1.637460039	 0.1184259597	 0.120195
+C	-2.4215981476	 2.1326321967	 1.516442504	-0.167935
+C	-1.8681246517	 0.7755139243	 1.127593933	-0.126431
+H	 1.7245706296	-0.8205701262	 0.787501616	 0.099019
+H	 1.6830688885	-0.7197702814	-0.9942482725	 0.126929
+H	 2.1156009222	 0.7133744552	-0.0314887883	 0.102678
+H	 0.0613374203	 0.2733220112	 1.9636948165	 0.059929
+H	 0.376972841	 2.5966598699	 2.1556711151	 0.095427
+H	 0.770953504	 2.5922689528	 0.4224687099	 0.116279
+H	-1.3562384335	 4.0926732184	 0.9947953525	 0.079338
+H	-3.4724945346	 1.3141166045	-0.4445745524	 0.103931
+H	-3.1027132281	 2.3661480147	 2.322364036	 0.096766
+H	-2.3801948558	-0.1195006712	 1.4623374289	 0.08989
+19
+0 5788	3.441409	1.4293756	1.3744907	0.8548	74.34	-0.25083	0.08717	0.33799999999999997	1029.4677	0.158415	-422.524368	-422.516836	-422.515892	-422.556356	29.368
+C	 0.7649059683	-0.5987403126	-0.2320021771	-0.241158
+O	 0.5382070974	 0.785575686	-0.0378325855	-0.237097
+C	 0.0219639145	 1.0945536536	 1.227619473	 0.20463
+O	-1.3053050493	 0.6040454892	 1.4124235895	-0.27619
+C	-2.1839737664	 1.7164576749	 1.2728739253	 0.069557
+C	-2.0653708299	 2.3856239548	-0.135223771	-0.240224
+C	-1.0498836714	 3.3497312704	 0.4802837716	-0.069368
+C	-1.4547949317	 2.9399662823	 1.8894811432	-0.092232
+C	-0.0854620698	 2.6013977957	 1.3890994325	-0.093505
+H	-0.1691619887	-1.1703633326	-0.1783134888	 0.125558
+H	 1.2058308489	-0.7150706375	-1.2244972903	 0.123856
+H	 1.464958425	-0.9980522276	 0.5181037702	 0.103271
+H	 0.6464617888	 0.6204501361	 2.0012544588	 0.067015
+H	-3.171409073	 1.4235088812	 1.6254101852	 0.081794
+H	-1.7409062423	 1.7373169553	-0.9517532158	 0.109274
+H	-2.9901882532	 2.9040205648	-0.4049291714	 0.095084
+H	-0.7967135695	 4.3368197621	 0.1124533879	 0.08664
+H	-1.6941681726	 3.5116829382	 2.7756986106	 0.088998
+H	 0.7759702249	 3.1499490458	 1.7486336822	 0.094096
+19
+0 5789	3.9529903	1.181169	1.0659014	2.1435	73.28	-0.22816	0.07058	0.29874	1154.7674	0.158458	-422.522387	-422.51474	-422.513796	-422.554626	29.941
+O	 1.3044346366	 0.8367344312	-0.1462713933	-0.422798
+C	 0.31531834	-0.0108601634	 0.4158833539	-0.087457
+C	-0.8658111199	 0.7600284823	 1.0086449498	 0.010355
+C	-0.4680918191	 1.6553226916	 2.2230486738	-0.245429
+C	-1.6055636924	 1.4307712583	 3.2124962011	 0.085859
+O	-2.8528904976	 1.8431669426	 2.5555326394	-0.308613
+C	-3.123067077	 0.4711363732	 2.2672336094	 0.08899
+C	-2.0018374076	-0.058585114	 3.1006802431	-0.158359
+C	-1.9317359412	-0.1767758833	 1.5877814822	-0.099295
+H	 1.6828091461	 1.3623545951	 0.5656716996	 0.284537
+H	-0.0285920582	-0.6462034565	-0.4075247182	 0.108265
+H	 0.7456567061	-0.6761034627	 1.1835279235	 0.08343
+H	-1.2909476989	 1.384138726	 0.2158646592	 0.091008
+H	 0.4787774466	 1.3203824495	 2.6715096876	 0.086846
+H	-0.3673878663	 2.7116138798	 1.9595497743	 0.114942
+H	-1.50405456	 1.8889753943	 4.1975371072	 0.081222
+H	-4.1565112893	 0.1711925514	 2.1389518132	 0.103676
+H	-1.9331246172	-0.8450367235	 3.8386184233	 0.096363
+H	-2.1046309708	-1.147436282	 1.1336765207	 0.08646
+19
+0 5790	3.4393019	1.3447311	1.2740022	2.885	73.57	-0.24071	0.08071	0.32142000000000004	1057.8993	0.159155	-422.529141	-422.52176	-422.520816	-422.560979	29.487
+O	 1.4414493487	 0.7979799827	 0.2150294436	-0.424024
+C	 0.4342898143	-0.1009006717	 0.635354374	-0.065826
+C	-0.8713084374	 0.6385960421	 0.9241892087	 0.076005
+O	-0.6218889398	 1.7032021789	 1.8688528194	-0.295668
+C	-1.3578344454	 1.4193045345	 3.0538018139	 0.089287
+C	-0.8386922612	 0.1305773431	 3.7661338258	-0.252718
+C	-1.9008282401	-0.6505761109	 2.9872955041	-0.080544
+C	-2.6301628273	 0.639777868	 2.6316078658	-0.09632
+C	-2.00001427	-0.1714597479	 1.5429011498	-0.076593
+H	 1.4309484229	 1.5163667104	 0.8595373795	 0.28836
+H	 0.2774539809	-0.8139367344	-0.1823649248	 0.102052
+H	 0.7466789031	-0.675683967	 1.5202543161	 0.087834
+H	-1.20806457	 1.1085819028	-0.0102770924	 0.084434
+H	-1.4384158377	 2.3344769344	 3.6384052178	 0.085165
+H	 0.2200508599	-0.1111582284	 3.6345574405	 0.098756
+H	-1.0767143833	 0.1470621393	 4.8340787338	 0.103178
+H	-2.3315505984	-1.6020098242	 3.2766858026	 0.088699
+H	-3.669102082	 0.9296999237	 2.7039570565	 0.09285
+H	-2.6376159371	-0.7553543954	 0.8893283154	 0.095073
+19
+0 5791	4.2822738	1.0970194	0.970805	2.625	76.51	-0.24294	0.01449	0.25743	1235.2433	0.158437	-422.553632	-422.545691	-422.544746	-422.586325	30.38
+O	 1.3453644997	 0.8285119123	 0.0135615573	-0.42178
+C	 0.4465054649	-0.110515225	 0.5668870879	-0.071498
+C	-0.7355397433	 0.6032476996	 1.2041559906	 0.114984
+O	-1.3771295457	 1.4550004696	 0.2145451092	-0.324384
+C	-2.5637104556	 0.6195500141	 0.189297156	 0.122528
+C	-3.8261440965	 1.3594710311	 0.6559924978	-0.275872
+C	-3.866314286	 1.0685678225	 2.1395557136	-0.061011
+C	-2.9218369079	 0.2097861217	 2.5259324035	-0.086193
+C	-2.0365885919	-0.2168002235	 1.3882069834	-0.141465
+H	 0.7995893981	 1.422701857	-0.5177207513	 0.291427
+H	 0.0799928591	-0.8183326525	-0.1961181657	 0.079866
+H	 0.9963045206	-0.6865873665	 1.3200716193	 0.105783
+H	-0.4068556742	 1.1952820816	 2.0662510152	 0.085133
+H	-2.6753479806	 0.1224564149	-0.7791706159	 0.077444
+H	-3.7366769374	 2.4290441629	 0.4317020868	 0.123832
+H	-4.7295489645	 1.0004190989	 0.1451308207	 0.10525
+H	-4.601412837	 1.5182879844	 2.7982200893	 0.097958
+H	-2.7718547634	-0.1383643054	 3.5420126601	 0.097516
+H	-1.9283164782	-1.2992977876	 1.2767855821	 0.080484
+19
+0 5792	4.6276872	1.0066665	0.8973252	2.2927	79.49	-0.24333	0.00304	0.24636999999999998	1323.1302	0.156941	-422.505194	-422.496851	-422.495907	-422.538395	31.042
+C	-0.0670479056	 1.4119168928	 0.04425964	-0.239503
+O	 0.1075429585	 0.0169006744	-0.0513212596	-0.237678
+C	 0.6882566655	-0.5696372819	 1.0972084434	 0.112264
+C	 1.2268181137	-1.9856127517	 0.7229647865	-0.288102
+C	 1.0550972182	-2.7686821894	 2.0318901257	 0.103538
+O	 0.2694000124	-4.0099011719	 2.1171797163	-0.307451
+C	-0.6210121431	-3.4053460588	 3.1080012655	-0.153856
+C	-0.0647918241	-2.0603893776	 2.7171948213	 0.192582
+C	-0.3459006683	-0.8753562162	 2.1938104218	-0.241867
+H	 0.8903338987	 1.9300792351	 0.2112172991	 0.106611
+H	-0.4921238069	 1.7504660688	-0.9037092826	 0.129384
+H	-0.753734023	 1.6939493936	 0.8566947862	 0.105649
+H	 1.5021005208	 0.0831306729	 1.4569648985	 0.069901
+H	 0.5546295276	-2.3932169065	-0.0377699655	 0.134114
+H	 2.2445510936	-1.9669536418	 0.3256346975	 0.098508
+H	 1.9958484368	-2.9028868738	 2.5814904518	 0.080464
+H	-1.6797183921	-3.5886560136	 2.8973216868	 0.122329
+H	-0.3788778629	-3.7575329864	 4.1193611821	 0.108195
+H	-1.2159573096	-0.252757418	 2.3627516752	 0.104917
+19
+0 5793	4.0061198	1.136887	1.0393742	0.8932	79.44	-0.23855	0.0041	0.24265	1221.9369	0.157022	-422.520107	-422.511808	-422.510864	-422.553349	31.015
+C	 0.1598112132	 1.3085629525	-0.1368085751	-0.238767
+O	 0.2299651882	-0.10403261	-0.0566123154	-0.233311
+C	 0.6191904967	-0.5760467496	 1.199943199	 0.192253
+O	 1.9852129903	-0.2298967979	 1.4950589347	-0.290408
+C	 2.709264033	-1.4165373764	 1.7425008666	 0.090589
+C	 3.6586261929	-2.1543631261	 0.719506923	-0.256737
+C	 2.8712981156	-3.4846168091	 1.0428826171	-0.307717
+C	 1.7750620434	-2.5499221124	 1.5063002793	 0.219551
+C	 0.5811520107	-2.094969422	 1.1481762932	-0.265634
+H	 1.1462039848	 1.7675069316	-0.0019081771	 0.127453
+H	-0.2212030314	 1.5528691453	-1.1308182345	 0.124526
+H	-0.5258203666	 1.7190005708	 0.6203427253	 0.104075
+H	-0.0081508993	-0.0976582062	 1.9723874228	 0.067562
+H	 3.1844107337	-1.3553847233	 2.7293285109	 0.085974
+H	 3.4659152381	-1.8196779658	-0.300778541	 0.127745
+H	 4.7294775958	-2.1432027658	 0.9349422153	 0.103599
+H	 2.6395481587	-4.161084342	 0.2194054255	 0.120255
+H	 3.3505259378	-4.0459814188	 1.8500458564	 0.117536
+H	-0.2428692557	-2.6155503547	 0.679926814	 0.111455
+19
+0 5794	4.3813437	0.9874147	0.8744035	1.6857	78.59	-0.2354	0.00751	0.24291	1329.7934	0.157456	-422.519532	-422.511194	-422.51025	-422.552653	31.358
+O	-0.0831054746	 1.4855941435	 0.0476948461	-0.421899
+C	 0.0274962866	 0.0701183208	 0.041981494	-0.08976
+C	-1.3805031313	-0.5100945852	-0.0371945541	-0.005524
+C	-1.3951707168	-2.0787573574	 0.0162167121	-0.288043
+C	-2.6394618583	-2.4291729812	-0.8124337313	 0.108278
+O	-2.5805609763	-3.3023272712	-1.9970872423	-0.309266
+C	-3.1124391135	-2.2315316332	-2.8393976121	-0.155497
+C	-2.7893956583	-1.2624491757	-1.730412354	 0.183707
+C	-2.0601542476	-0.2120331573	-1.3777216561	-0.203156
+H	 0.8029080413	 1.8591626057	 0.0415529227	 0.288111
+H	 0.616680341	-0.2821224248	-0.8205877321	 0.086462
+H	 0.5244317714	-0.2968329755	 0.9547324423	 0.088609
+H	-1.9452188049	-0.0908966181	 0.8071925861	 0.091545
+H	-0.5087551264	-2.4660330604	-0.4996119841	 0.114807
+H	-1.4034952119	-2.4753635981	 1.0353013183	 0.097635
+H	-3.502817676	-2.7174556207	-0.1977566458	 0.07863
+H	-2.5644378578	-2.1194822532	-3.7807834859	 0.118788
+H	-4.1782156292	-2.391673207	-3.0501179261	 0.106627
+H	-1.8397496075	 0.6819807289	-1.9472176676	 0.109946
+19
+0 5795	3.967373	1.1019913	0.9866329	2.8428	78.69	-0.23327	0.00124	0.23451	1239.3119	0.157677	-422.526999	-422.518865	-422.51792	-422.559931	31.136
+O	 0.0484085224	 1.3372507254	 0.2463286292	-0.424463
+C	 0.0454992422	-0.0619387912	 0.0589319929	-0.050005
+C	-1.3768789077	-0.5835339119	-0.1500479053	 0.068603
+O	-2.1670941509	-0.1376049181	 0.9873652203	-0.309565
+C	-2.9547036674	-1.226853642	 1.4266066254	 0.093301
+C	-2.7041100553	-2.034011088	 2.756489774	-0.255596
+C	-2.7355466905	-3.3545111311	 1.8915773667	-0.311486
+C	-2.4343678089	-2.4364868058	 0.7267341648	 0.229868
+C	-1.480588133	-2.1009657777	-0.1333935567	-0.261138
+H	-0.6153980186	 1.5099653633	 0.9254051837	 0.292122
+H	 0.6558650151	-0.2718812112	-0.8265814934	 0.103386
+H	 0.4950588729	-0.58937854	 0.9161175696	 0.081926
+H	-1.7892063075	-0.1146416856	-1.0572568183	 0.089795
+H	-4.0227126188	-0.9995209632	 1.3046411009	 0.082875
+H	-1.7040896921	-1.8387658523	 3.1473742749	 0.119669
+H	-3.4504716572	-1.9385194423	 3.5483227598	 0.105442
+H	-2.0117214124	-4.1390154398	 2.116840987	 0.119307
+H	-3.7394391856	-3.7885021438	 1.8650531401	 0.119481
+H	-0.7613993567	-2.7403144548	-0.6301633957	 0.106479
+19
+0 5796	4.1697443	1.0872504	0.9390857	1.6188	79.53	-0.22899	0.00489	0.23388	1279.5528	0.156674	-422.50831	-422.499863	-422.498919	-422.541775	31.084
+C	 0.0356504241	 1.2007048034	-0.1936445985	-0.239403
+O	-0.3204077317	-0.0526790494	 0.35040666	-0.237366
+C	 0.5852089618	-0.5199073792	 1.3020253584	 0.065698
+C	 1.9387646927	-1.2132777038	 0.8402269509	-0.303312
+C	 1.6854494771	-2.2977704696	 1.9502214597	 0.094167
+O	 1.6876281301	-3.6888338722	 1.6958807369	-0.280345
+C	 0.3248819676	-4.1528914489	 1.7757544313	-0.106965
+C	-0.5382890896	-2.9026935311	 1.7016508745	-0.22528
+C	 0.2557499878	-1.8593649462	 1.9023301775	 0.174268
+H	 0.9898787896	 1.155709911	-0.7388203138	 0.112283
+H	-0.7555445844	 1.4862575275	-0.8903322187	 0.13089
+H	 0.1191149229	 1.9724915428	 0.587288705	 0.107353
+H	 0.7983456729	 0.2577173454	 2.0533031691	 0.075953
+H	 1.8145057286	-1.6405426743	-0.1565156602	 0.123082
+H	 2.8568590134	-0.6248647214	 0.9068950941	 0.099039
+H	 2.2541758418	-2.0765872955	 2.8632644312	 0.078705
+H	 0.1283625559	-4.8236242481	 0.928873314	 0.113154
+H	 0.1848180968	-4.7384826579	 2.6985228187	 0.104851
+H	-1.5682890673	-2.9102470725	 1.3709199299	 0.113229
+19
+0 5797	4.1280531	1.0326451	0.8988925	2.431	78.43	-0.22703	0.00871	0.23574	1302.4647	0.157172	-422.522279	-422.513811	-422.512867	-422.555677	31.469
+O	 0.0841487282	 1.2771487729	 0.2747934025	-0.42057
+C	-0.0077197566	-0.0823777702	-0.123152931	-0.093555
+C	-1.4611226366	-0.4940712737	-0.0122315769	-0.060702
+C	-2.1136126396	-0.6634665086	 1.4165712668	-0.267674
+C	-2.8665440338	-1.9293749028	 0.8644023064	 0.094873
+O	-2.8411766052	-3.1980895487	 1.488340952	-0.280936
+C	-2.0710905531	-4.077677537	 0.6460077354	-0.10539
+C	-1.2834690315	-3.166053144	-0.2866051894	-0.245192
+C	-1.8183897531	-1.9540050208	-0.1990356699	 0.202868
+H	 1.0081460449	 1.540714544	 0.2385145125	 0.288786
+H	 0.3359644551	-0.2215815669	-1.1613700377	 0.089753
+H	 0.6050187679	-0.7350303988	 0.5185217703	 0.087827
+H	-2.0742710798	 0.1766301354	-0.6239464776	 0.095586
+H	-1.3632927783	-0.9490980531	 2.1570957825	 0.114668
+H	-2.7202279395	 0.1650281494	 1.7865964179	 0.107163
+H	-3.8879022263	-1.6739515428	 0.5482909298	 0.078353
+H	-1.4045163503	-4.678550951	 1.2787627208	 0.11032
+H	-2.742475231	-4.775953155	 0.1201601158	 0.102856
+H	-0.3747529713	-3.4782361381	-0.7853700504	 0.100965
+19
+0 5798	3.8381166	1.0957161	0.9650294	2.4514	77.88	-0.24244	0.00093	0.24336999999999998	1257.371	0.157864	-422.524951	-422.516737	-422.515793	-422.558053	31.098
+O	 0.1486347885	 1.1800727282	 0.3566305566	-0.418738
+C	 0.0161469451	-0.1387925632	-0.1364044254	-0.065989
+C	-1.4469453066	-0.5414706515	-0.1975347636	 0.033378
+O	-2.0567420454	-0.5102511777	 1.1431646739	-0.346436
+C	-2.7086693169	-1.8097067492	 0.9028662856	 0.120225
+C	-2.4413212354	-3.0473930219	 1.7718642061	-0.251865
+C	-1.9876757259	-4.1045206815	 0.705107532	-0.244211
+C	-1.3317374874	-3.2391406745	-0.3732733947	-0.207696
+C	-1.8100800941	-2.0044327076	-0.2727377066	 0.1703
+H	-0.3090274501	 1.1975497854	 1.2057259805	 0.295623
+H	 0.4515711739	-0.1519262879	-1.1418181007	 0.110503
+H	 0.5602776559	-0.8656934394	 0.4845901479	 0.089145
+H	-1.9995343836	 0.1295486292	-0.8682596645	 0.09026
+H	-3.7759562716	-1.6394166814	 0.7089476469	 0.08176
+H	-1.6075401058	-2.8322031147	 2.447602841	 0.118113
+H	-3.2968988688	-3.373225673	 2.3695024224	 0.098239
+H	-1.2847798718	-4.8346635499	 1.1190041417	 0.110974
+H	-2.8425415367	-4.679127223	 0.3238864186	 0.113275
+H	-0.5334743333	-3.5938107464	-1.0142516977	 0.10314
+19
+0 5799	3.0770623	1.1321588	0.8897047	2.465	78.95	-0.23599	-0.04105	0.19494	1321.6978	0.156288	-422.599942	-422.590462	-422.589518	-422.634894	33.785
+C	 1.3354260487	 0.9227368095	 0.4398771183	-0.492022
+C	 0.0502274783	 0.165461998	 0.3610828735	 0.211999
+C	-0.1758976119	-1.1522895608	 0.470567304	-0.153875
+C	-1.6261850682	-1.5395217083	 0.3362242671	-0.280471
+C	-2.3526311681	-0.2040798013	 0.0801858667	-0.13507
+C	-3.0957290588	-0.1393465153	-1.262386253	-0.070698
+O	-4.131469754	-1.1018904403	-1.3678880696	-0.419192
+C	-1.2414423226	 0.858459783	 0.1276590412	 0.321293
+O	-1.400468266	 2.050507698	-0.0239115281	-0.34414
+H	 1.296135971	 1.6643988246	 1.2451790076	 0.14245
+H	 2.1876266938	 0.2611896786	 0.6136905699	 0.120616
+H	 1.508980162	 1.484619762	-0.4843284377	 0.142833
+H	 0.5976880488	-1.8953190264	 0.6413053986	 0.106464
+H	-1.78327101	-2.2516226296	-0.4828226277	 0.13059
+H	-1.9824426025	-2.0459519412	 1.241611772	 0.116526
+H	-3.0705184008	 0.0242509586	 0.8779523459	 0.091885
+H	-3.4634922667	 0.8840870613	-1.4159101239	 0.114053
+H	-2.4002411675	-0.3652366163	-2.0787609795	 0.113989
+H	-4.8221124455	-0.8624663641	-0.7414124851	 0.28277
+19
+0 5800	2.9532108	1.2797009	0.9354409	2.5665	79.69	-0.22123	-0.04548	0.17575000000000002	1274.783	0.155639	-422.581403	-422.571888	-422.570944	-422.616419	33.575
+C	 0.8473776076	-0.7721784869	 0.0464568878	-0.244922
+O	 0.6267203682	 0.6279340294	-0.0134323371	-0.24525
+C	-0.1146890217	 1.1454121599	 1.0658882581	 0.022884
+C	-0.0034043331	 2.6791893928	 1.1058835973	-0.303255
+C	-1.4271226277	 3.149880743	 1.2520009164	-0.159216
+C	-2.3396189269	 2.1697573212	 1.1629761061	 0.222785
+C	-3.8302132261	 2.250360734	 1.212328628	-0.492716
+C	-1.6379754014	 0.8795006968	 0.9590465276	 0.308799
+O	-2.1560474886	-0.1945606314	 0.7416495747	-0.334367
+H	-0.0896061867	-1.3353163094	 0.0033519149	 0.145081
+H	 1.4708922207	-1.0265172562	-0.8140835238	 0.122401
+H	 1.3846118793	-1.0464400824	 0.9684521811	 0.099405
+H	 0.2336560329	 0.7055462916	 2.016190664	 0.085737
+H	 0.6389828292	 3.0432415403	 1.9149637015	 0.115786
+H	 0.439643187	 3.0315736153	 0.167080933	 0.139364
+H	-1.6665438911	 4.1986488713	 1.4013699593	 0.108618
+H	-4.2238511977	 1.6540709781	 2.0429578543	 0.140945
+H	-4.1785174515	 3.2800115775	 1.3252374008	 0.121318
+H	-4.2649883123	 1.828795195	 0.2997033262	 0.146601
+19
+0 5801	2.9325022	1.0512145	0.8452218	3.0798	81.12	-0.24726	-0.05339	0.19387000000000001	1383.1226	0.155917	-422.571173	-422.562062	-422.561117	-422.605765	32.544
+C	 1.3911366761	-0.1615812074	-0.1202524867	-0.240108
+O	 0.0231483114	 0.1657582471	-0.0376678042	-0.246274
+C	-0.3679671217	 0.7196519818	 1.2078955844	 0.118156
+C	-1.9165623348	 0.6956704517	 1.2360500483	-0.280623
+C	-2.305653464	 2.1083553602	 0.9062572629	-0.145837
+C	-1.2572167638	 2.9429137879	 0.9533554414	 0.260955
+C	 0.0153855395	 2.2218059049	 1.3299503152	-0.338545
+C	-1.3307149993	 4.3802506909	 0.6904110476	 0.062631
+O	-0.3828171044	 5.1335537314	 0.7471237687	-0.27239
+H	 1.6829845687	-0.8772507278	 0.6647401072	 0.104255
+H	 1.5524184833	-0.6233071533	-1.0973428482	 0.129782
+H	 2.044469411	 0.7195834707	-0.039938674	 0.110737
+H	 0.0670070555	 0.1220312538	 2.0218237389	 0.06486
+H	-2.2946797711	-0.0398344113	 0.518881477	 0.131977
+H	-2.3009910492	 0.406723727	 2.2235395871	 0.119423
+H	-3.3233236214	 2.4077267592	 0.6766939805	 0.109319
+H	 0.8522819942	 2.4880842446	 0.6784479787	 0.12976
+H	 0.3213283789	 2.48189124	 2.3506863366	 0.116413
+H	-2.3462196588	 4.7513562786	 0.4245771586	 0.06551
+19
+0 5802	2.7036764	1.0637057	0.8327344	4.1052	80.25	-0.24626	-0.05214	0.19412000000000001	1382.0523	0.156536	-422.584355	-422.575223	-422.574279	-422.618877	32.869
+O	-0.6913400985	-1.3902013705	-1.871547994	-0.417982
+C	-0.2350906086	-0.2460129843	-1.1692534654	-0.078833
+C	-0.4687625397	 0.9803920148	-2.050324383	 0.007351
+C	 0.0178097528	 2.270153748	-1.3272054051	-0.288531
+C	-1.2545622012	 2.9128697206	-0.8476945647	-0.145765
+C	-2.3434000287	 2.3373816452	-1.3781921947	 0.254695
+C	-1.9847933348	 1.2064469674	-2.3135061708	-0.323288
+C	-3.7147087869	 2.7717580892	-1.1042260329	 0.063657
+O	-4.7025496417	 2.2683947591	-1.5930817176	-0.269564
+H	-0.6555516579	-2.1461113599	-1.2787064495	 0.288933
+H	-0.774136444	-0.1189448113	-0.2154836563	 0.088168
+H	 0.8384595391	-0.3266129702	-0.9332225018	 0.085495
+H	 0.0731017816	 0.8187145294	-2.9858867191	 0.084968
+H	 0.7152065062	 2.0573310393	-0.5064642649	 0.109661
+H	 0.554826646	 2.9464790213	-2.0063971844	 0.120934
+H	-1.2729967044	 3.7603968615	-0.1692598701	 0.10687
+H	-2.5709881389	 0.3017332883	-2.1332061737	 0.134843
+H	-2.1837104084	 1.4947879272	-3.3525168509	 0.115431
+H	-3.7961542318	 3.6237711347	-0.3913875512	 0.062957
+19
+0 5803	2.8627779	1.4492719	1.1356314	2.0784	78.11	-0.23565	0.00637	0.24201999999999999	1130.2513	0.156813	-422.499627	-422.491282	-422.490338	-422.532777	30.94
+C	-0.188279599	 1.2990752349	-0.0056415963	-0.234158
+O	 0.1626263452	-0.0636260561	 0.0468939589	-0.22659
+C	 0.7448194092	-0.5549399978	-1.1359122391	 0.06356
+C	-0.3413811994	-0.9592561082	-2.2038313105	-0.281225
+C	-0.7345623613	-2.3743165802	-1.7784610466	-0.198167
+C	 0.2735907427	-2.8961655856	-1.0927498069	 0.201004
+C	 0.697402001	-3.6315348495	 0.1537073668	-0.155986
+O	 1.5367999878	-2.4849020044	 0.4984981794	-0.2977
+C	 1.3867298779	-1.9358236159	-0.8462130191	 0.104446
+H	 0.685110884	 1.933909854	-0.2230116222	 0.105668
+H	-0.9609345378	 1.5107147095	-0.760403161	 0.102876
+H	-0.5829144955	 1.5658442285	 0.9776912747	 0.130448
+H	 1.4628385077	 0.1765717364	-1.5373752839	 0.05668
+H	-1.1935917024	-0.2723884895	-2.1793460729	 0.111892
+H	 0.0723814165	-0.9104816189	-3.2202020402	 0.108338
+H	-1.7264637638	-2.7849026747	-1.9231079046	 0.100314
+H	-0.0783383128	-3.8276368638	 0.9014536529	 0.123791
+H	 1.3069394044	-4.5329618554	 0.0078867303	 0.107466
+H	 2.3194545458	-2.0653298334	-1.4129017698	 0.077342
+19
+0 5804	2.9250458	1.3579035	1.0900452	1.1645	76.9	-0.23531	0.00599	0.2413	1141.9367	0.157712	-422.51932	-422.51104	-422.510096	-422.552211	31.243
+O	-0.0378258159	 1.4047865784	 0.1562952114	-0.4254
+C	 0.0055034336	-0.0010834231	-0.0551590341	-0.074291
+C	-1.4291391145	-0.5205452351	-0.0033967106	-0.049914
+C	-2.0602664997	-0.3302300566	 1.4248926332	-0.256194
+C	-1.7262951368	-1.640477794	 2.1373599089	-0.205347
+C	-1.4947194816	-2.5752205424	 1.223931434	 0.198155
+C	-0.5463948875	-3.6584452742	 0.7768361237	-0.156103
+O	-0.3011542181	-2.8809706224	-0.4385612147	-0.309861
+C	-1.4956416764	-2.0530737781	-0.1735393344	 0.08797
+H	 0.866706667	 1.7286524075	 0.1885185075	 0.286621
+H	 0.4481484353	-0.2470328473	-1.0310835289	 0.099204
+H	 0.6113856221	-0.5030361921	 0.713072548	 0.091845
+H	-2.0063763171	 0.0080632075	-0.7679982338	 0.076256
+H	-1.6209413609	 0.5354436545	 1.9292050154	 0.124927
+H	-3.1397725303	-0.1414933595	 1.3621836373	 0.105677
+H	-1.5900321486	-1.7164435128	 3.2097793465	 0.098862
+H	 0.3593764944	-3.8117568774	 1.3727577364	 0.119003
+H	-0.9959582355	-4.6296986391	 0.5320636088	 0.108832
+H	-2.3030194898	-2.3748610338	-0.8442179347	 0.079758
+19
+0 5805	2.6200811	1.316929	0.9166413	4.7169	78.43	-0.26089	-0.04407	0.21682	1282.592	0.157328	-422.608551	-422.599864	-422.59892	-422.642109	32.164
+C	 2.1301560126	 1.5002221043	-0.0503134765	-0.391718
+C	 1.3481174278	 0.1894018389	-0.1654132136	-0.187189
+C	 1.8325451093	-0.7087583135	-1.2979220722	 0.136716
+C	 1.1260229189	-2.0616887209	-1.3590272616	-0.285207
+C	 1.4815455832	-2.7661525511	-2.6361822278	-0.068952
+C	 1.8714624217	-2.071108691	-3.7065357547	-0.182052
+C	 1.8589394787	-0.5902498598	-3.717034327	 0.410786
+O	 1.9619223767	 0.0668778797	-4.7207421737	-0.338146
+O	 1.6478633021	 0.0304116866	-2.5254463378	-0.252456
+H	 1.7368663255	 2.1173982985	 0.7624874187	 0.114671
+H	 3.189533805	 1.3116453629	 0.1560465206	 0.113822
+H	 2.0648502731	 2.0716886038	-0.979026655	 0.147249
+H	 1.4231613357	-0.3799085138	 0.7694780668	 0.098856
+H	 0.2831421989	 0.3978172518	-0.3247596546	 0.109736
+H	 2.9124575797	-0.8889949946	-1.1866300007	 0.087835
+H	 1.4204913137	-2.6613430707	-0.4905646887	 0.120424
+H	 0.0359284216	-1.9317971403	-1.2905382504	 0.128844
+H	 1.4003625955	-3.8491247603	-2.6760542694	 0.114792
+H	 2.1278386702	-2.5322033104	-4.6526065522	 0.121988
+19
+0 5806	3.2047357	1.0997159	0.8607911	4.0596	79.41	-0.24047	-0.05068	0.18979	1338.4602	0.15684	-422.58164	-422.572791	-422.571847	-422.615611	32.319
+C	 1.4218519594	 0.0906481669	-0.1460616478	-0.244417
+O	 0.0514480139	-0.0978288124	 0.1304276867	-0.243288
+C	-0.4181254112	 0.5637877556	 1.2890183446	 0.111411
+C	 0.005730696	-0.1416720241	 2.5886013039	-0.280065
+C	-0.7240649873	 0.4089531354	 3.7825457073	-0.054452
+C	-1.890195703	 1.0618960569	 3.699702171	-0.13838
+C	-2.5858110641	 1.2721034858	 2.4110374121	 0.363153
+O	-3.6239803294	 1.8973293287	 2.3363274564	-0.330917
+C	-1.9413522268	 0.6244033345	 1.1900299962	-0.327598
+H	 2.074844941	-0.3758611224	 0.6057922511	 0.10727
+H	 1.620236074	-0.3782935398	-1.1127369244	 0.132468
+H	 1.6781556205	 1.1594095222	-0.2113981787	 0.108328
+H	-0.0203447795	 1.5932137574	 1.3104720879	 0.075426
+H	-0.2040515807	-1.2166911422	 2.4856400156	 0.13034
+H	 1.0862953342	-0.057773312	 2.74772921	 0.111991
+H	-0.2611164586	 0.2590661748	 4.755323773	 0.110654
+H	-2.3894884686	 1.4613334642	 4.5766938142	 0.108764
+H	-2.325184628	-0.402548284	 1.1106560074	 0.13049
+H	-2.2595808519	 1.1589497945	 0.2927116635	 0.12882
+19
+0 5807	3.2665758	1.0519219	0.8319613	3.8178	78.77	-0.23551	-0.04577	0.18974	1354.2254	0.157415	-422.595841	-422.587045	-422.586101	-422.629499	32.6
+O	-1.5507447473	 0.6637550924	-1.0369443498	-0.425233
+C	-1.315489312	-0.1819168625	 0.0792634531	-0.093185
+C	-1.2075841812	 0.6932178	 1.3235462832	 0.000777
+C	-0.0863770316	 1.7362077116	 1.1992789067	-0.24758
+C	 0.1478076068	 2.472764382	 2.4870975792	-0.060942
+C	-0.2403257499	 2.0144589832	 3.6845747539	-0.136911
+C	-0.8964770913	 0.7004920457	 3.8504326162	 0.36435
+O	-1.2845061608	 0.3056437297	 4.9317530906	-0.331956
+C	-1.0130549878	-0.1520782164	 2.5897699575	-0.327566
+H	-1.6060866138	 0.1176165339	-1.8261738341	 0.289946
+H	-2.1348133103	-0.9062687287	 0.2111610294	 0.091778
+H	-0.3837395802	-0.7591754561	-0.0472741669	 0.083892
+H	-2.1557592376	 1.239897719	 1.4184187621	 0.09489
+H	 0.8518138685	 1.2435064222	 0.8947874866	 0.113839
+H	-0.3178723885	 2.4406614644	 0.3951606577	 0.132846
+H	 0.6634860822	 3.4288255779	 2.4213739023	 0.107297
+H	-0.0772972675	 2.5779993976	 4.5979391482	 0.105058
+H	-0.0815221348	-0.7330603661	 2.5071843077	 0.118479
+H	-1.824059943	-0.8704082198	 2.7396406465	 0.12022
+19
+0 5808	2.1500698	1.8266386	1.1498868	2.1163	77.8	-0.23862	0.00939	0.24801	1107.0763	0.156286	-422.52948	-422.52086	-422.519916	-422.563049	32.019
+C	 1.3387528624	-0.2253227431	-0.2738742384	-0.241489
+O	-0.0102310135	-0.282689108	 0.1512488684	-0.239989
+C	-0.3356243083	 0.5966499187	 1.2087210788	-0.001127
+C	-1.877489083	 0.7331435585	 1.2374506489	-0.291573
+C	-2.3080882559	-0.124855327	 2.4033233533	-0.074316
+C	-1.2755271918	-0.5287168793	 3.1417418408	-0.143804
+C	 0.0004951816	 0.0006959486	 2.5981089449	 0.439022
+C	 1.101836753	 0.4836478022	 3.4507181077	-0.255682
+O	 1.2044973105	-0.7599648243	 2.7551151154	-0.273482
+H	 2.0296703445	-0.5634307493	 0.5045320406	 0.134432
+H	 1.4219305894	-0.8835895529	-1.1425166616	 0.122891
+H	 1.6147454664	 0.7966592762	-0.580523989	 0.09465
+H	 0.1672401247	 1.5623254141	 1.0543312881	 0.063011
+H	-2.1844060713	 1.7771780307	 1.37827506	 0.110253
+H	-2.2916295997	 0.4012796038	 0.2803621271	 0.125715
+H	-3.3489336015	-0.3502511511	 2.6053900168	 0.100822
+H	-1.3117033924	-1.1420113545	 4.0339179047	 0.104575
+H	 1.752419236	 1.2801559667	 3.0895291126	 0.112248
+H	 1.0209121288	 0.40705784	 4.5345636712	 0.113842
+19
+0 5809	2.3277126	1.5292241	1.0249414	0.5275	77.18	-0.24072	0.01114	0.25186	1174.9613	0.156799	-422.547036	-422.538343	-422.537398	-422.581093	32.356
+O	 1.4282289924	 0.5808208384	-0.3742106807	-0.42621
+C	 0.0683459654	 0.3484924889	-0.0306119051	-0.083674
+C	-0.7360631666	 0.3729567454	-1.3243880322	-0.096442
+C	-0.3337206147	-0.7494970991	-2.3230400896	-0.276065
+C	-1.6370357271	-1.4246788205	-2.6698702049	-0.081095
+C	-2.6730331499	-0.9240045058	-1.9977592137	-0.136489
+C	-2.2440246246	 0.1648759946	-1.0857848318	 0.406881
+C	-3.137123319	 1.2066269517	-0.5626697097	-0.246107
+O	-2.7315568128	 0.1243154575	 0.2766170736	-0.279087
+H	 1.9528424863	 0.5232364398	 0.4294194282	 0.286698
+H	-0.062078602	-0.6258607344	 0.4644520452	 0.096459
+H	-0.3086771109	 1.1153463225	 0.6608423383	 0.095294
+H	-0.5750043433	 1.3489116034	-1.7942659345	 0.088904
+H	 0.1654764444	-0.3440103452	-3.2099546034	 0.113889
+H	 0.3798705994	-1.4536882186	-1.8769368599	 0.11729
+H	-1.6959614822	-2.2352361019	-3.388246148	 0.099378
+H	-3.7038209903	-1.2522162927	-2.0572645246	 0.101393
+H	-2.7238619045	 2.1823436553	-0.3040225717	 0.109132
+H	-4.19103478	 1.2144308907	-0.8409809154	 0.10985
+19
+0 5810	1.9478208	1.6695593	1.0267607	1.7106	77.47	-0.24102	-0.0268	0.21422000000000002	1194.5352	0.155464	-422.563239	-422.553985	-422.553041	-422.598473	32.638
+C	 1.5755171442	-0.0771062037	 0.1167996569	-0.238344
+O	 0.1839269972	 0.1252893662	-0.0067020626	-0.247314
+C	-0.3960604787	 0.820520427	 1.0791540501	 0.116737
+C	-1.9325867491	 0.6440434047	 1.0234333093	-0.298092
+C	-2.4778627766	 2.0330733828	 1.2181092979	-0.068262
+C	-1.5255888351	 2.9628810962	 1.2131424503	-0.091607
+C	-0.1463581272	 2.3581188955	 1.0426033711	-0.147218
+C	 0.8362600194	 2.8753436568	 2.0776782201	 0.148568
+O	 1.4975182116	 2.1884615323	 2.8136926708	-0.244056
+H	 1.8248321556	-0.6323576217	 1.0327417711	 0.116115
+H	 1.891800915	-0.6584755726	-0.7527771462	 0.123474
+H	 2.1379371006	 0.8680798931	 0.132136138	 0.105215
+H	 0.0076477332	 0.4306716955	 2.0229127147	 0.094401
+H	-2.2074012955	 0.2380638725	 0.0418013792	 0.126993
+H	-2.2978795845	-0.067620766	 1.7717470477	 0.11147
+H	-3.538817857	 2.2353854204	 1.315801702	 0.101525
+H	-1.683281153	 4.0320034506	 1.305350984	 0.100289
+H	 0.2715835554	 2.6459822545	 0.0628736511	 0.111851
+H	 0.9146012645	 3.9868402458	 2.1153388945	 0.078255
+19
+0 5811	1.9084871	1.5847178	0.933189	4.1952	77.1	-0.23339	-0.01034	0.22305	1249.4529	0.156131	-422.577648	-422.568434	-422.56749	-422.612486	32.926
+O	-0.3485217225	-0.9430396989	 0.1641635732	-0.418802
+C	 0.2696423328	 0.3293042781	 0.0271360992	-0.100607
+C	-0.1947685614	 0.9385356576	-1.2864848231	 0.009581
+C	 0.4015563588	 2.3472175	-1.5588043806	-0.29183
+C	 0.7049471238	 2.3315354625	-3.0370564867	-0.082182
+C	 0.5900973807	 1.1176232597	-3.5681765558	-0.058998
+C	 0.1814354618	 0.0880791798	-2.5449839281	-0.126265
+C	-0.9353951591	-0.8412309647	-2.9855340048	 0.136257
+O	-1.3940556966	-0.8782615426	-4.0997181133	-0.253192
+H	-0.0326949948	-1.3536430775	 0.974209343	 0.290811
+H	-0.0003326355	 0.9942486023	 0.8627033289	 0.09169
+H	 1.368647283	 0.2383875344	 0.0198789205	 0.088592
+H	-1.2872240773	 1.0224272781	-1.242163327	 0.093213
+H	-0.2895809589	 3.1485643704	-1.274065537	 0.111072
+H	 1.3189852055	 2.5138214232	-0.9741150354	 0.103945
+H	 1.0068988533	 3.22350184	-3.574899982	 0.09728
+H	 0.7629368027	 0.856256866	-4.6042963415	 0.111132
+H	 1.0234301632	-0.5795946096	-2.2919732132	 0.099069
+H	-1.3062203896	-1.5097104488	-2.1797974164	 0.099234
+19
+0 5812	2.6460769	1.6212448	1.1972536	2.0183	76.23	-0.24557	0.00257	0.24814	1081.0316	0.157433	-422.529228	-422.520939	-422.519995	-422.56238	31.101
+C	 1.4492832693	-0.0913146833	-0.0016872615	-0.239451
+O	 0.0420584146	 0.0091457109	 0.0449145298	-0.232451
+C	-0.4541909044	 0.7547463335	 1.1366018887	 0.105959
+C	-1.9838430376	 0.6153834456	 1.0966402275	-0.295364
+C	-2.6741640328	 1.6136441229	 0.2022605397	-0.0449
+C	-2.1699433828	 2.8153577281	-0.0753619562	-0.077294
+C	-0.8655382374	 3.24223177	 0.4869015262	 0.022521
+O	 0.329754068	 2.7717154614	-0.1687196873	-0.23802
+C	 0.0008061447	 2.2286407963	 1.1090501201	-0.019037
+H	 1.8551682678	-0.5043699742	 0.9362691586	 0.094925
+H	 1.6911135256	-0.7760741721	-0.8181681944	 0.125692
+H	 1.9251813681	 0.8769996041	-0.1994773469	 0.130944
+H	-0.0811923171	 0.3131582756	 2.0768409826	 0.056508
+H	-2.2071165573	-0.4053406369	 0.771451679	 0.123413
+H	-2.3868509249	 0.7067391627	 2.1153525165	 0.113585
+H	-3.6402531246	 1.3242442659	-0.2031142831	 0.096345
+H	-2.7017933704	 3.5145564774	-0.7136495989	 0.093398
+H	-0.7901092943	 4.2761509645	 0.8234742873	 0.091561
+H	 0.6755143456	 2.5360067675	 1.9081352023	 0.091665
+19
+0 5813	2.5693409	1.6078097	1.1958302	2.9082	74.91	-0.24729	-0.00552	0.24177	1071.363	0.158566	-422.548318	-422.54027	-422.539325	-422.580917	31.108
+O	 1.4389780566	 0.5043696906	-0.2895222191	-0.432243
+C	 0.0570805975	 0.4171295558	-0.0117343332	-0.058982
+C	-0.8192760649	 0.4463740987	-1.2813802662	-0.047293
+C	-2.2999962525	 0.2107033648	-0.9050062109	-0.291448
+C	-2.6552206322	-1.2484063102	-0.7517725031	-0.050696
+C	-2.0148243686	-2.2269152227	-1.393483149	-0.077807
+C	-0.9130962373	-1.919586426	-2.3383896347	 0.020128
+O	 0.4110773589	-1.7008927747	-1.795915032	-0.27448
+C	-0.3243830029	-0.5749242234	-2.3104168283	 0.017012
+H	 1.691168627	-0.3490840536	-0.660734914	 0.299127
+H	-0.1799708394	-0.4855195862	 0.5685280467	 0.09831
+H	-0.1942006681	 1.2845148482	 0.6088295259	 0.101901
+H	-0.7175868495	 1.4404732657	-1.7292869561	 0.080056
+H	-2.5234855139	 0.741445563	 0.0287168593	 0.109905
+H	-2.9627186156	 0.660646234	-1.6577323474	 0.117773
+H	-3.4862426619	-1.4891418515	-0.0933481752	 0.098954
+H	-2.3019649882	-3.266058557	-1.2634273742	 0.095538
+H	-0.8963455525	-2.4873979272	-3.2679704078	 0.096642
+H	 0.0963705076	-0.1727045081	-3.230175171	 0.097604
+19
+0 5814	2.1522709	1.5842849	1.2449248	1.6957	76.91	-0.23209	-0.02033	0.21176	1111.4031	0.156416	-422.574914	-422.565929	-422.564985	-422.609049	32.519
+C	 1.3656347488	-0.113250671	-0.110470309	-0.241718
+O	-0.0275681534	 0.121558481	-0.0334515981	-0.24846
+C	-0.4346411043	 0.7502673639	 1.1740688148	 0.02778
+C	-1.9635171747	 0.6589093899	 1.2432126916	-0.293848
+C	-2.6455345565	 1.6344619011	 0.3192689836	-0.04147
+C	-2.0387092273	 2.6844818042	-0.2295716175	-0.052692
+C	-0.5885656493	 3.0284049102	 0.0116424219	-0.345402
+C	-0.001563922	 2.2230472833	 1.1599695107	 0.372996
+O	 0.7375070632	 2.6917563582	 1.9924931974	-0.317446
+H	 1.710783409	-0.7525403578	 0.7156326612	 0.11374
+H	 1.5487824694	-0.6244496964	-1.0582216141	 0.130742
+H	 1.9513036933	 0.817018101	-0.089460274	 0.118404
+H	 0.0316760138	 0.2615752174	 2.0411152348	 0.079815
+H	-2.2479155403	-0.3708489103	 0.996130065	 0.121303
+H	-2.2883261483	 0.8288231695	 2.2790644156	 0.122518
+H	-3.6965030151	 1.4520323013	 0.1109938824	 0.091798
+H	-2.589619521	 3.3491659451	-0.8896242641	 0.094226
+H	-0.0015963391	 2.8141700043	-0.8941552023	 0.139844
+H	-0.4496298562	 4.0917270753	 0.23089196	 0.127869
+19
+0 5815	2.5130456	1.3516992	0.9383866	1.3584	76.81	-0.23777	-0.01317	0.22460000000000002	1245.1137	0.157016	-422.591183	-422.58227	-422.581326	-422.625085	32.801
+O	-0.0644143882	-1.3602203027	-1.4528407684	-0.429892
+C	 0.1802730034	-0.2338954065	-0.6200825999	-0.09645
+C	-0.5683714108	 0.9485883327	-1.2209119173	-0.095298
+C	-2.092269578	 0.7089015193	-1.3265634286	-0.255313
+C	-2.8321490501	 1.945370029	-1.7584775239	-0.070291
+C	-2.3376823888	 3.1760251017	-1.6374661375	-0.049621
+C	-0.9967967077	 3.47452479	-1.0172051221	-0.356619
+C	-0.2971920864	 2.2386244978	-0.4631934143	 0.378594
+O	 0.423905181	 2.2912406082	 0.5076379917	-0.319147
+H	 0.385944722	-2.1181978412	-1.0698641751	 0.289108
+H	-0.1711921954	-0.4066372875	 0.4080998142	 0.097557
+H	 1.2515368182	 0.0009518058	-0.5596834139	 0.102222
+H	-0.2034857462	 1.1073923679	-2.2470422885	 0.10585
+H	-2.2685323686	-0.1153901074	-2.023531389	 0.131747
+H	-2.4763744929	 0.3612401272	-0.355363207	 0.115348
+H	-3.8216484512	 1.8044234828	-2.1860045638	 0.091851
+H	-2.9162063357	 4.0328313631	-1.9734877545	 0.093003
+H	-0.3251006126	 3.9320428293	-1.7608859895	 0.133885
+H	-1.077764852	 4.2069093804	-0.2059998827	 0.133468
+19
+0 5816	3.0694645	1.1350911	0.8632435	4.4945	76.05	-0.22936	-0.08665	0.14271	1340.863	0.155954	-422.599643	-422.590489	-422.589545	-422.634122	33.109
+C	 1.1631072963	 1.2779137088	 0.1240783125	-0.393248
+C	 0.9020861584	-0.2279054399	 0.0365774234	-0.183535
+C	 1.8640691347	-0.9675487995	-0.895669181	-0.099939
+C	 3.3477717204	-1.0478937575	-0.4588871424	-0.245266
+C	 3.9449989276	-2.2387969133	-1.2396703549	-0.338186
+C	 2.795961132	-3.2249705627	-1.379333606	 0.323409
+O	 2.8421294344	-4.4002910775	-1.6205051722	-0.276864
+C	 1.479735653	-2.4229941166	-1.1336570188	 0.301872
+O	 0.3796668247	-2.9067228221	-1.1233257295	-0.289611
+H	 0.4399861797	 1.760590048	 0.7880792215	 0.121045
+H	 2.1636266656	 1.4950130356	 0.5126265863	 0.118279
+H	 1.0788717931	 1.7521611771	-0.8602473774	 0.116835
+H	 0.9666095869	-0.6761183744	 1.0364004145	 0.103389
+H	-0.1184574469	-0.4165141874	-0.3134059647	 0.123264
+H	 1.8289594428	-0.4935480696	-1.8917976599	 0.108447
+H	 3.8895171373	-0.1172668861	-0.6377740946	 0.116606
+H	 3.3962808722	-1.2493966698	 0.6181884256	 0.116611
+H	 4.2425077345	-1.9298932223	-2.2513550758	 0.138746
+H	 4.8177718633	-2.7021923909	-0.7749285264	 0.138147
+19
+0 5817	2.6655238	1.2933347	1.2437729	4.8445	77.49	-0.26224	-0.04563	0.21660999999999997	1131.1959	0.157932	-422.60226	-422.593673	-422.592728	-422.635702	31.832
+C	 1.6622839654	-0.9841428725	 0.99943158	-0.382417
+C	 1.400234219	-0.2488574658	-0.3185699714	-0.195948
+C	 2.1430919536	-0.8037783362	-1.5620344439	-0.064109
+C	 1.8128113769	-2.2558536923	-1.9186591501	-0.096353
+O	 2.5098622556	-3.2270080151	-1.1223669611	-0.236129
+C	 3.8493731138	-3.0735959004	-0.9387361214	 0.412616
+O	 4.4996349097	-3.9902662395	-0.507465075	-0.337711
+C	 4.4131806715	-1.7319195357	-1.2140568278	-0.184157
+C	 3.6369205392	-0.6721799312	-1.4532358688	-0.065666
+H	 1.3471180536	-2.0296503514	 0.9504303467	 0.138799
+H	 2.7246537558	-0.9713022706	 1.2601507091	 0.125905
+H	 1.1132368094	-0.5039176412	 1.8149743466	 0.114885
+H	 0.3262116472	-0.264253322	-0.5425099798	 0.102993
+H	 1.6705158587	 0.8088578751	-0.2069211452	 0.101279
+H	 1.8114097241	-0.1963514681	-2.415518265	 0.093395
+H	 0.7519974726	-2.4751038684	-1.7728143841	 0.121627
+H	 2.0578224667	-2.4378443787	-2.9728530744	 0.116386
+H	 5.4907149516	-1.6664199041	-1.1202121366	 0.122306
+H	 4.0717090057	 0.3200037583	-1.5509572078	 0.112301
+19
+0 5818	4.1813437	1.0040624	0.8449119	3.431	80.06	-0.23421	-0.05637	0.17784	1369.6032	0.156599	-422.581559	-422.572739	-422.571795	-422.615377	32.45
+C	 2.0218594535	-0.5362037564	 1.3045689575	-0.386666
+C	 1.8310269514	 0.4165311006	 0.1230129144	-0.191849
+C	 2.0016823956	-0.2744451255	-1.2346294599	 0.088966
+O	 3.3176039493	-0.7991139029	-1.2799609165	-0.257706
+C	 3.679836779	-1.3478758449	-2.5309572545	-0.189101
+C	 3.548632648	-0.3464800164	-3.6776976728	 0.351758
+O	 4.2163017075	-0.4388734051	-4.6866213187	-0.320323
+C	 2.4963499311	 0.669563469	-3.4888045914	-0.179704
+C	 1.7393660527	 0.6598968192	-2.3855207537	-0.055362
+H	 1.2814627646	-1.3437556279	 1.2840559379	 0.112934
+H	 3.015108379	-0.9898346138	 1.2777770032	 0.140579
+H	 1.9108213441	-0.0046669799	 2.2540457827	 0.114584
+H	 0.8307364751	 0.8648755568	 0.1539755905	 0.098717
+H	 2.5527533166	 1.2398301728	 0.1778524276	 0.114198
+H	 1.2702151707	-1.1069935156	-1.2949514785	 0.081263
+H	 4.7185405265	-1.6763987135	-2.4561947875	 0.137746
+H	 3.0615547544	-2.2307944988	-2.7766500008	 0.110858
+H	 2.3300124233	 1.3608004721	-4.3088975472	 0.113947
+H	 0.8943446376	 1.3370958002	-2.2805904523	 0.11516
+19
+0 5819	3.038554	1.1717829	1.0802872	2.2234	78.13	-0.24225	-0.05737	0.18488	1191.8332	0.15738	-422.574835	-422.566117	-422.565172	-422.608473	32.171
+C	 1.4423983322	-0.1315881289	-0.2194131089	-0.24324
+O	 0.0506932313	-0.0321209934	 0.0084754512	-0.250911
+C	-0.3672704158	 0.6645178676	 1.1825901424	 0.07687
+C	 0.0387147469	 2.1507845557	 1.2510306839	-0.259947
+C	 1.3595965828	 2.426272419	 1.9847327623	-0.323937
+C	 1.4536716552	 1.7091292779	 3.3243710869	 0.37832
+O	 2.0651579842	 2.1680938783	 4.267611261	-0.328031
+C	 0.807345896	 0.3772272814	 3.3956430571	-0.145273
+C	 0.0157553905	-0.0995431608	 2.4279191886	-0.068655
+H	 1.9865499947	-0.5072420169	 0.6577342538	 0.111853
+H	 1.5717736267	-0.8408196359	-1.0408123673	 0.131055
+H	 1.8833453127	 0.8287272518	-0.5224362058	 0.110033
+H	-1.4598598065	 0.6241053124	 1.0963478643	 0.099707
+H	 0.0618624743	 2.5544033088	 0.2339305557	 0.116456
+H	-0.7637808395	 2.6811462194	 1.7769052862	 0.115667
+H	 2.216366306	 2.0840867028	 1.3905208926	 0.128379
+H	 1.5075640794	 3.4954103408	 2.1571856269	 0.125445
+H	 1.0219994931	-0.1953989573	 4.2935109251	 0.112113
+H	-0.4005177341	-1.1018166928	 2.5055217741	 0.114098
+19
+0 5820	2.8587379	1.200391	1.1318182	5.1431	78.64	-0.22835	-0.04166	0.18669	1174.3455	0.157814	-422.592495	-422.583775	-422.58283	-422.626117	32.375
+O	 0.4740907517	 2.9259109189	 1.016388026	-0.4066
+C	 0.7781341257	 1.6194795848	 0.5559176388	-0.083835
+C	-0.221359993	 1.2171875527	-0.5415063048	-0.050488
+C	-0.1590356655	 2.105424872	-1.8017273145	-0.236657
+C	-0.9892339632	 3.3906983873	-1.6747251783	-0.308239
+C	-2.4219663898	 3.1144909567	-1.2446964963	 0.37808
+O	-3.3535619408	 3.8151211455	-1.5887353499	-0.337159
+C	-2.6154068975	 1.9644037051	-0.3324845324	-0.147363
+C	-1.6240714933	 1.1308060816	 0.0020708191	-0.033664
+H	 1.1200421429	 3.171877691	 1.684663767	 0.29232
+H	 1.7955691316	 1.57061409	 0.1366876538	 0.091666
+H	 0.7242882943	 0.8880579114	 1.3785129151	 0.088899
+H	 0.0831965512	 0.1997483704	-0.8267575014	 0.086753
+H	 0.8832903658	 2.3500952599	-2.0337820072	 0.097783
+H	-0.5386073873	 1.520928666	-2.6483779158	 0.106302
+H	-0.5481161435	 4.0357069527	-0.9066864448	 0.147175
+H	-1.0138726634	 3.9535583376	-2.6114497497	 0.112083
+H	-3.6193427381	 1.8458973521	 0.0639278461	 0.102333
+H	-1.8166011378	 0.3274255045	 0.7119359991	 0.100609
+19
+0 5821	2.4589349	1.2664388	1.0290848	1.5125	76.18	-0.25916	0.03323	0.29239	1246.5872	0.155554	-422.521291	-422.511978	-422.511034	-422.556204	33.699
+C	 1.1925313229	-0.4424501562	 0.986205768	-0.383745
+C	 0.6917994145	-0.3286988061	-0.4553678001	-0.189518
+C	 1.8115276621	-0.4271354232	-1.486199836	 0.121656
+C	 1.3383858718	-0.3428160327	-2.9523221767	-0.139169
+O	 2.1301342809	-1.3158202557	-3.6247427267	-0.22902
+C	 2.3266074737	-2.3381424581	-2.6767948329	-0.018603
+O	 2.4741007805	-1.7038270833	-1.4211838999	-0.260399
+C	 1.2076833177	-3.3023882917	-2.665054694	 0.348233
+C	 0.3073280064	-4.0983443061	-2.6645332938	-0.454315
+H	 1.711218879	-1.3929706613	 1.1367357136	 0.138059
+H	 1.8929351977	 0.3647977922	 1.2280525315	 0.112885
+H	 0.3626185136	-0.3882608087	 1.6968365307	 0.112255
+H	-0.0401801451	-1.1176512527	-0.6648903875	 0.111987
+H	 0.1772061251	 0.6309376516	-0.6017718302	 0.095972
+H	 2.5747746901	 0.3355641032	-1.2817532483	 0.083736
+H	 0.2693192799	-0.5841080027	-3.0361162406	 0.107538
+H	 1.5266459251	 0.6261053426	-3.4181182116	 0.12145
+H	 3.2623968772	-2.8504196147	-2.9239438724	 0.119427
+H	-0.4863092931	-4.8046353265	-2.6638556833	 0.201572
+19
+0 5822	2.6479095	1.1818986	0.981033	0.7904	77.43	-0.25379	0.03446	0.28825	1192.4581	0.155382	-422.52483	-422.515464	-422.514519	-422.560099	33.781
+C	 0.8557850595	-0.778255887	 0.8824025509	-0.38625
+C	 0.7678363093	-0.3771813821	-0.5916507654	-0.199434
+C	 2.0563447293	-0.6517880965	-1.3450947358	 0.229119
+O	 1.9252175441	-0.2609509169	-2.6916903236	-0.252166
+C	 2.7919359083	-1.1022739997	-3.4243282835	-0.119946
+C	 2.6435086834	-2.4541695802	-2.6909098583	-0.076516
+O	 2.3714842285	-2.0487305682	-1.3484313496	-0.273593
+C	 1.56967538	-3.290081993	-3.2297412241	 0.355742
+C	 0.7017505465	-3.9830808457	-3.6882877392	-0.478554
+H	 1.0723926263	-1.8453698847	 0.9797253752	 0.137925
+H	 1.6473863774	-0.2250610097	 1.400146268	 0.113852
+H	-0.0859281664	-0.5711102799	 1.3981583489	 0.115325
+H	-0.0333935111	-0.9247079104	-1.0986484689	 0.115651
+H	 0.548206789	 0.6922046268	-0.6896245968	 0.106757
+H	 2.9088206239	-0.1233490743	-0.8790967003	 0.066016
+H	 2.4674881101	-1.1268741227	-4.4648387914	 0.131983
+H	 3.8348663166	-0.7550830196	-3.3662785307	 0.098755
+H	 3.583742801	-3.0177277429	-2.6970809315	 0.112818
+H	-0.0689861058	-4.5954861832	-4.0870435841	 0.202516
+19
+0 5823	3.8890287	0.9331534	0.8776794	0.4654	78.09	-0.25979	0.05029	0.31008	1385.228	0.156233	-422.525563	-422.51633	-422.515386	-422.560142	33.526
+C	 1.1676050682	-0.4780788532	 0.0515976787	-0.243771
+O	-0.1979683425	-0.2167955139	 0.3239695996	-0.242096
+C	-0.4004338278	 0.8854154819	 1.1668769793	 0.221423
+C	-1.9221406592	 1.0938003186	 1.3063675132	-0.284129
+C	-2.1969094059	 0.8663672874	 2.8186940241	-0.161682
+C	-0.9388051939	 0.0730695428	 3.2396412032	-0.109556
+O	 0.102719349	 0.6630302149	 2.4738922929	-0.250455
+C	-3.4533795102	 0.2028410767	 3.122786774	 0.311059
+C	-4.4838540228	-0.3608552785	 3.3787654479	-0.460169
+H	 1.7238373333	-0.7073949075	 0.9676317415	 0.126645
+H	 1.1999611786	-1.3388451622	-0.6196137852	 0.126802
+H	 1.6461631633	 0.3801678972	-0.4445640879	 0.105295
+H	 0.1471784144	 1.7565863425	 0.7800958634	 0.07085
+H	-2.2330687756	 2.0871719085	 0.9797444147	 0.117128
+H	-2.4364395172	 0.3501892276	 0.6962883317	 0.135924
+H	-2.1668922738	 1.8333809559	 3.334292511	 0.109892
+H	-0.6887749167	 0.1798208865	 4.2967836257	 0.117836
+H	-1.0601623307	-0.992023065	 3.0018639965	 0.112443
+H	-5.3960695105	-0.8545081901	 3.6057604256	 0.196562
+19
+0 5824	3.1493884	1.0860282	0.8747865	0.7162	78.42	-0.25987	0.03555	0.29542	1347.2342	0.155898	-422.524498	-422.51519	-422.514246	-422.55918	33.62
+C	 1.3495214638	-0.2431094254	 0.0579610966	-0.244404
+O	-0.0510326555	-0.1568475068	 0.2558286388	-0.243922
+C	-0.4334119561	 0.8929735329	 1.106645229	 0.228632
+C	-1.9748593437	 0.9052905613	 1.1703917561	-0.275614
+C	-2.297865469	 0.5040288477	 2.6236903908	-0.226628
+C	-0.957222189	-0.0843815754	 3.1148404965	-0.042525
+O	 0.0296131062	 0.7018820625	 2.4304684305	-0.265108
+C	-0.7486433854	-0.0139003424	 4.5526509129	 0.292089
+C	-0.6110543686	 0.0252420966	 5.7452640701	-0.431577
+H	 1.8794801885	-0.4220474457	 1.0003500979	 0.128592
+H	 1.5248568674	-1.0784054696	-0.6233870413	 0.125286
+H	 1.7443496648	 0.6780873127	-0.3971077496	 0.105529
+H	 0.0210807618	 1.8338095817	 0.766131684	 0.073058
+H	-2.3749241266	 1.8891582226	 0.9185410793	 0.113014
+H	-2.3576530995	 0.1856544291	 0.4444878096	 0.125541
+H	-2.5473930299	 1.3767343907	 3.2316448906	 0.119166
+H	-3.1154906391	-0.2148202462	 2.7050339866	 0.113947
+H	-0.873702971	-1.131915889	 2.788612255	 0.107181
+H	-0.4802560392	 0.0627890127	 6.7984810264	 0.197742
+19
+0 5825	2.4665037	1.272207	1.0739703	1.6567	76.6	-0.25067	0.04009	0.29076	1217.627	0.15562	-422.508855	-422.499519	-422.498574	-422.54397	33.615
+C	 1.4477593679	-0.1929862429	 0.034099514	-0.240958
+O	 0.0494196721	-0.0603849905	 0.1453154338	-0.238161
+C	-0.3589122433	 0.7952725275	 1.1953200623	 0.107901
+C	-0.1546719175	 2.3021673921	 0.8648440078	-0.09786
+O	-1.4215749068	 2.9369746083	 1.0020752316	-0.246626
+C	-2.4255411205	 1.9643646815	 0.7150838888	-0.090405
+C	-1.8832939043	 0.6757109281	 1.3701403571	-0.252067
+C	-2.6692211801	 1.8265888035	-0.7256364096	 0.369423
+C	-2.8793621514	 1.7284557753	-1.9048494403	-0.491109
+H	 1.8936367233	-0.5681731153	 0.9693909617	 0.103957
+H	 1.6415469297	-0.9134757396	-0.7640346154	 0.130676
+H	 1.94242752	 0.7553707355	-0.2249133153	 0.107913
+H	 0.1716287645	 0.5144024908	 2.1169008037	 0.069407
+H	 0.5368252689	 2.8156086687	 1.5380602059	 0.107694
+H	 0.21657206	 2.3876969321	-0.1662286877	 0.110116
+H	-3.3418881991	 2.3158206116	 1.1995598957	 0.110707
+H	-2.1461331493	 0.6832209573	 2.4305213709	 0.109138
+H	-2.25522823	-0.2419398107	 0.9145472698	 0.131055
+H	-3.0615411541	 1.6373946567	-2.9471114951	 0.199199
+19
+0 5826	4.4453606	0.8556781	0.7958329	2.0472	77.63	-0.25132	0.04435	0.29567	1447.0217	0.15671	-422.530432	-422.521285	-422.520341	-422.564944	33.705
+O	 1.4726790846	 0.7537734616	 0.0099085469	-0.422677
+C	 0.1215043705	 0.377121129	 0.1584937231	-0.062109
+C	-0.7555516393	 1.0355187649	-0.9034987306	 0.100944
+C	-2.2640604012	 0.7719225011	-0.7308664356	-0.27339
+C	-2.8950900035	 2.180997214	-0.8697425274	-0.174779
+C	-1.7545861446	 3.0615411298	-0.3185626654	-0.091017
+O	-0.5714501985	 2.465586342	-0.822217208	-0.281179
+C	-4.1693826052	 2.3525967572	-0.193915288	 0.305951
+C	-5.2144479906	 2.5000823106	 0.3815234375	-0.445785
+H	 1.4652145871	 1.7157334748	-0.0702388408	 0.289129
+H	 0.0740760748	-0.7137563983	 0.06318652	 0.107723
+H	-0.2669748645	 0.6412998117	 1.1574751557	 0.082218
+H	-0.3932564181	 0.7364222582	-1.8939290597	 0.089164
+H	-2.656247073	 0.0672533064	-1.4659393186	 0.121529
+H	-2.4788812386	 0.3723095106	 0.265576089	 0.118229
+H	-3.012212259	 2.412406701	-1.9353769708	 0.113714
+H	-1.7949651573	 4.0951828173	-0.6706840087	 0.121527
+H	-1.7796696564	 3.0636213706	 0.781495867	 0.102596
+H	-6.1417057572	 2.6304039277	 0.8823608442	 0.19821
+19
+0 5827	3.3096037	1.0416305	0.9184135	2.6626	76.77	-0.25172	0.03294	0.28466	1312.7328	0.156528	-422.529827	-422.520669	-422.519725	-422.564597	33.674
+O	 1.2613274533	 0.7160828465	 0.5982462392	-0.423718
+C	 0.0040832495	 0.2959775194	 0.115909486	-0.056427
+C	-0.5919180778	 1.3104499651	-0.8571227685	 0.114364
+C	-2.0570483767	 1.0280495976	-1.2438813362	-0.2643
+C	-2.8517914423	 2.0148194294	-0.3721870749	-0.228274
+C	-1.8714050044	 3.1978285899	-0.2619394919	-0.06562
+O	-0.58276319	 2.5865699386	-0.1802665062	-0.284317
+C	-1.9626226583	 4.1145290239	-1.405023742	 0.351988
+C	-2.0429148305	 4.8592991034	-2.3450578783	-0.483785
+H	 1.1398455115	 1.6309568681	 0.8805287396	 0.291883
+H	 0.1562178942	-0.6620884344	-0.3937688916	 0.105133
+H	-0.7114277909	 0.1274904173	 0.9398685056	 0.076764
+H	 0.0572997004	 1.3888343948	-1.73720135	 0.089047
+H	-2.2217158946	 1.2384360492	-2.3033387472	 0.121497
+H	-2.3369447853	-0.0128814395	-1.0603833	 0.110378
+H	-3.8131032704	 2.2998607496	-0.8021080319	 0.119243
+H	-3.0242652957	 1.6047721918	 0.6272828166	 0.111335
+H	-2.0134465949	 3.7653001501	 0.6639832534	 0.112573
+H	-2.1069453871	 5.5246892989	-3.1705229218	 0.202237
+19
+0 5828	2.3416616	1.259518	1.0266566	1.9526	75.91	-0.2568	0.03795	0.29474999999999996	1229.9441	0.156428	-422.524224	-422.51495	-422.514006	-422.558786	33.898
+O	 1.339120705	 0.1877947416	-0.3376444673	-0.421866
+C	-0.0302625884	-0.1593932672	-0.1961306519	-0.09889
+C	-0.8014606729	 0.4905905923	-1.339633308	 0.009203
+C	-2.3251524526	 0.2226429232	-1.2380506533	-0.107433
+O	-2.7605521508	-0.2142096223	-2.5218175295	-0.241767
+C	-1.6718128295	-0.9085121325	-3.1249730825	-0.082552
+C	-0.4274408583	-0.0814642066	-2.7302949687	-0.237463
+C	-1.5989227062	-2.3067697939	-2.6765716243	 0.362808
+C	-1.5472114557	-3.4499620455	-2.3066753645	-0.498741
+H	 1.8407421077	-0.2853935519	 0.3324121567	 0.287842
+H	-0.1745720522	-1.2502673897	-0.2349495662	 0.101774
+H	-0.4319833182	 0.194723206	 0.7677538474	 0.085544
+H	-0.5944392907	 1.5637394601	-1.3110195988	 0.088961
+H	-2.5324112872	-0.5510320597	-0.4826371693	 0.097605
+H	-2.9075643158	 1.1118537812	-0.9844944456	 0.111001
+H	-1.8524225636	-0.8920252562	-4.2044354105	 0.110815
+H	 0.4904022119	-0.669919637	-2.7026940827	 0.12607
+H	-0.2945518002	 0.7231147728	-3.4570188567	 0.107589
+H	-1.5082267222	-4.4631637248	-1.9905739943	 0.1995
+19
+0 5829	4.9906594	0.8325707	0.7576757	3.2045	82.35	-0.24682	-0.06499	0.18183	1515.3909	0.155692	-422.574127	-422.564833	-422.563889	-422.609006	32.768
+C	 1.2334721016	 1.5081470366	-0.5605999272	-0.381001
+C	 0.8699686286	 0.0758282962	-0.9579813793	-0.179511
+C	 2.0817863838	-0.7120682101	-1.4778904388	 0.106655
+O	 3.1021059039	-0.7846086368	-0.4762234719	-0.28518
+C	 3.4663401739	-2.1399241755	-0.2155202571	-0.16331
+C	 2.559244908	-2.9600447442	-1.0951073357	 0.207459
+C	 2.5581117893	-4.422450495	-1.1340370808	 0.074388
+O	 3.2890982938	-5.1138715312	-0.4593203475	-0.264643
+C	 1.785766463	-2.1438101801	-1.8171687349	-0.210672
+H	 2.0119545766	 1.5046868072	 0.2062845229	 0.140344
+H	 1.6100113974	 2.0733432364	-1.4204949366	 0.113895
+H	 0.3620372352	 2.0388472424	-0.1663532112	 0.113099
+H	 0.4512621597	-0.4624615027	-0.099507651	 0.103471
+H	 0.1004731019	 0.0812960507	-1.7407720421	 0.094593
+H	 2.4850444656	-0.1825169012	-2.3600157729	 0.089503
+H	 4.5268487722	-2.3037677917	-0.4546981872	 0.120942
+H	 3.3341070408	-2.370667468	 0.8500447579	 0.123331
+H	 1.8250817131	-4.8710313667	-1.8400145974	 0.07375
+H	 1.0397272015	-2.4427001261	-2.5443578091	 0.122887
+19
+0 5830	5.1103647	0.8173884	0.7296625	3.381	81.91	-0.25101	-0.05915	0.19186	1536.3146	0.156099	-422.569304	-422.560133	-422.559189	-422.603802	32.58
+C	 1.5164175484	 0.1814604728	-0.1431972738	-0.23672
+O	 0.1395956953	-0.0812902696	 0.0152836282	-0.249533
+C	-0.4170623315	 0.4907839385	 1.1812950735	 0.123015
+C	-0.0560446998	-0.2362587676	 2.5067302541	-0.253113
+C	-1.3487614936	-0.1987929586	 3.3592363283	-0.321294
+C	-2.4290431882	 0.026959545	 2.3247273896	 0.238445
+C	-3.8618160032	-0.1120718958	 2.6038330028	 0.076051
+O	-4.3156089765	-0.4111708854	 3.6863715498	-0.268409
+C	-1.9190580731	 0.3899330332	 1.1406667362	-0.191091
+H	 2.1225367129	-0.2744178754	 0.6532433851	 0.110318
+H	 1.8183312594	-0.2483321807	-1.1010912519	 0.130753
+H	 1.7227990808	 1.2634854314	-0.1572964317	 0.105236
+H	-0.1240994163	 1.5572286701	 1.2289090448	 0.077632
+H	 0.1915413308	-1.2707760383	 2.2467983622	 0.120159
+H	 0.8046019329	 0.1992808036	 3.0189054186	 0.102499
+H	-1.5166354287	-1.1089132071	 3.9415346619	 0.127324
+H	-1.3365734068	 0.6280035606	 4.080200688	 0.121117
+H	-4.5265587579	 0.0753473677	 1.7312514626	 0.07023
+H	-2.4871934749	 0.6221545958	 0.246413032	 0.117381
+19
+0 5831	4.3662367	0.8285825	0.7646683	3.796	81.42	-0.2491	-0.05738	0.19172	1486.9895	0.156906	-422.582994	-422.573897	-422.572953	-422.617385	32.79
+O	 0.1896574611	 1.5790917835	-1.2160323678	-0.41024
+C	 0.7617140543	 0.9012848387	-0.112170172	-0.063213
+C	-0.2542649917	 0.6440569859	 1.0217398264	-0.06265
+C	-0.8358350421	 1.9533724791	 1.6243489172	-0.236206
+C	-0.0611053267	 2.1918661198	 2.9470057848	-0.313212
+C	 0.534742189	 0.8341030186	 3.2452389367	 0.249621
+C	 1.1953141206	 0.4917677144	 4.5073433025	 0.068633
+O	 1.3339251837	 1.2600074295	 5.4339234168	-0.26834
+C	 0.4091349766	-0.0072979983	 2.2080157965	-0.171474
+H	-0.4772512317	 1.0048230561	-1.6065592446	 0.283651
+H	 1.2274262214	-0.0484851744	-0.4188996789	 0.089412
+H	 1.5624384268	 1.5527805445	 0.2540744552	 0.118701
+H	-1.0456424894	 0.0031140938	 0.6070485435	 0.072029
+H	-0.7566796041	 2.7826073138	 0.9182508882	 0.121131
+H	-1.89876411	 1.8140600668	 1.8419452099	 0.104603
+H	 0.7342598678	 2.9399246365	 2.8418969871	 0.121572
+H	-0.7011122582	 2.546112743	 3.7599874701	 0.123765
+H	 1.5729117386	-0.5541705689	 4.5650835627	 0.065373
+H	 0.7873450541	-1.0254122124	 2.1934571356	 0.106845
+19
+0 5832	2.2893272	1.3081429	1.0324643	2.4041	77.08	-0.25022	0.03608	0.2863	1229.7298	0.1546	-422.506703	-422.496966	-422.496021	-422.541323	35.621
+C	-3.162665764	 0.561489101	 2.1089409631	-0.454406
+C	-2.1410416014	-0.5192199426	 1.7292507893	 0.057915
+C	-1.5536991432	-1.2720181309	 2.9609505939	-0.107312
+O	-0.3143494772	-0.5423378003	 2.8776397635	-0.301824
+C	-0.6851645165	 0.0402524243	 1.6015254863	 0.084905
+C	 0.2219336565	-0.4987898701	 0.5079420704	-0.084468
+O	 1.5686498634	-0.1967069396	 0.8184731112	-0.422098
+C	-2.6310731782	-1.3510946069	 0.6432574158	 0.285449
+C	-3.0599552015	-2.0374033514	-0.2464388449	-0.45689
+H	-2.782261388	 1.1652776271	 2.938463269	 0.128767
+H	-3.3592082691	 1.2219329749	 1.2594326679	 0.13206
+H	-4.1103253754	 0.1076036188	 2.4128318407	 0.129935
+H	-2.0718246478	-1.0963002376	 3.9102625093	 0.110426
+H	-1.4144834305	-2.3483154953	 2.8110871219	 0.111988
+H	-0.6151990594	 1.1339819028	 1.6420795447	 0.086912
+H	 0.0628329553	-1.5810177527	 0.3893789903	 0.094648
+H	-0.0090939798	-0.0217447265	-0.4502447596	 0.113179
+H	 1.7096409098	-0.5224265518	 1.7163776103	 0.291915
+H	-3.4305721229	-2.6447797333	-1.0349938932	 0.198898
+19
+0 5833	2.1929975	1.2790119	1.0415518	0.3114	77.09	-0.25513	0.02283	0.27796000000000004	1243.1202	0.153913	-422.503683	-422.493638	-422.492694	-422.538969	36.162
+C	-3.0324308029	 0.3643310165	 2.4412121765	-0.433905
+C	-1.9587911037	-0.6644797847	 2.0985101071	 0.202498
+O	-1.4999919489	-1.3584662125	 3.296385332	-0.305545
+C	-0.136942987	-0.9385324668	 3.0929749458	-0.091264
+C	-0.5179361519	-0.0957959651	 1.8597105444	-0.100707
+C	 0.1938352058	-0.3985437465	 0.5490500336	-0.107021
+O	 1.5200750765	 0.112225224	 0.5423132541	-0.41744
+C	-2.4423262394	-1.6065613571	 1.0899383636	 0.347319
+C	-2.86087643	-2.3715158108	 0.262000756	-0.483328
+H	-2.660368562	 1.0466711381	 3.2101744033	 0.120993
+H	-3.3080854751	 0.9406217395	 1.5526311635	 0.128122
+H	-3.9266703131	-0.1385003678	 2.819117965	 0.13775
+H	 0.2569441066	-0.3962278555	 3.9596708618	 0.107918
+H	 0.5223617979	-1.7929788994	 2.8797108569	 0.09357
+H	-0.4775040199	 0.9801870497	 2.0451176423	 0.091801
+H	 0.1745795646	-1.4782904163	 0.3454329931	 0.104148
+H	-0.3234540432	 0.0946400989	-0.2803385144	 0.118725
+H	 2.0460244146	-0.4186953645	 1.1486850715	 0.285124
+H	-3.2257815689	-3.0538038097	-0.4658738661	 0.201243
+19
+0 5834	2.7168198	1.0867236	1.0321109	2.1912	78.28	-0.25103	0.02216	0.27319	1290.7011	0.153808	-422.505562	-422.495568	-422.494624	-422.540751	36.108
+C	 1.5340111223	 1.543321098	-0.1531217537	-0.386997
+C	 1.2478735554	 0.0379126852	-0.156430433	-0.195458
+C	 2.0122011175	-0.6778180956	-1.2529069812	 0.103578
+O	 1.6609043151	-0.2197948813	-2.5800741447	-0.291298
+C	 1.3113947311	-1.5428441258	-3.0154245033	-0.096979
+C	 1.5771069494	-2.1461313297	-1.6158908327	 0.140529
+O	 0.360105717	-2.5873548325	-1.0425483742	-0.45426
+C	 2.6209796288	-3.1531838706	-1.5023107396	 0.287556
+C	 3.4811216866	-3.9822813974	-1.3645267908	-0.472947
+H	 0.9476327579	 2.0516437957	 0.6178230042	 0.112301
+H	 2.592755712	 1.7481918826	 0.0400564233	 0.11305
+H	 1.2786309227	 1.9807953012	-1.1220701066	 0.139701
+H	 1.5309736502	-0.4049011475	 0.8082268863	 0.090385
+H	 0.1789456041	-0.1503309336	-0.293429278	 0.114565
+H	 3.0960071275	-0.5925902015	-1.0950725147	 0.073964
+H	 0.261388149	-1.6264175667	-3.3160196267	 0.118757
+H	 1.9647024816	-1.9092280355	-3.8142782828	 0.110819
+H	 0.5646011062	-3.0361758668	-0.2148896438	 0.288102
+H	 4.2408693156	-4.7171538781	-1.258470258	 0.20463
+19
+0 5835	2.1662473	1.3206397	1.1452239	1.039	78.23	-0.24933	0.03136	0.28069	1209.5526	0.153542	-422.499704	-422.48964	-422.488696	-422.534636	36.363
+C	 1.5428500883	 0.2524231742	-0.0962662949	-0.23999
+O	 0.1400800938	 0.1705281977	 0.0284457419	-0.239478
+C	-0.3251634758	 0.532827497	 1.2909831623	 0.136981
+C	-0.2078917123	-0.4532486385	 2.4869679649	-0.270339
+C	-1.6276442077	-0.0048382349	 2.9200407978	-0.28074
+C	-1.8680698539	 0.537668475	 1.4654371674	 0.191002
+O	-2.4220471119	 1.8330103236	 1.3401465364	-0.468617
+C	-2.5621826146	-0.4275890847	 0.6218337312	 0.315924
+C	-3.2009397183	-1.1987997518	-0.0436009135	-0.500786
+H	 2.0584309136	-0.435092004	 0.5906732667	 0.108562
+H	 1.7926694089	-0.0238226786	-1.1231852751	 0.129609
+H	 1.9081362879	 1.2731022901	 0.0974488314	 0.106759
+H	 0.0382611678	 1.532210654	 1.577671367	 0.080792
+H	-0.1996208127	-1.4863346187	 2.1303943323	 0.119263
+H	 0.6093613844	-0.3036483873	 3.1938178379	 0.101184
+H	-2.317091831	-0.7667895726	 3.2840642229	 0.110381
+H	-1.6064759447	 0.8386929686	 3.6138119868	 0.114535
+H	-3.3651580299	 1.7411094198	 1.1697010048	 0.284507
+H	-3.7426525319	-1.8828297388	-0.6491784883	 0.200451
+19
+0 5836	2.1597983	1.3748383	1.1312472	2.2756	78.1	-0.24679	0.02495	0.27174	1194.3075	0.153412	-422.491397	-422.481398	-422.480453	-422.526499	35.839
+C	 1.5162715505	-0.4066083915	 0.0079665583	-0.247358
+O	 0.1587115015	-0.0219437669	-0.1069559558	-0.230008
+C	-0.3567771761	 0.5861488844	 1.0356269064	 0.035916
+C	-1.8682772622	 0.8236724321	 0.9789978278	-0.111323
+O	-1.713759233	 2.2308534573	 1.2494138597	-0.311176
+C	-0.2581306075	 2.1600249725	 1.1619165148	 0.185559
+C	 0.2448113198	 2.8902990988	-0.0791381386	-0.432799
+C	 0.3778348955	 2.6387144334	 2.381520164	 0.310293
+C	 0.9217571166	 3.006336632	 3.389070241	-0.461869
+H	 1.6623407003	-1.1069857096	 0.8434050533	 0.114796
+H	 1.7885725202	-0.9027257663	-0.9260107723	 0.133332
+H	 2.1786433388	 0.4566265381	 0.1587776442	 0.118968
+H	-0.011132214	 0.0813153754	 1.9461160114	 0.085965
+H	-2.2912106515	 0.6317121719	-0.0145211527	 0.111052
+H	-2.4730688132	 0.3204543698	 1.7404511435	 0.110124
+H	-0.1650732546	 2.4278074747	-0.9790893628	 0.131149
+H	-0.0745011614	 3.9347338776	-0.0326124872	 0.135731
+H	 1.3368911403	 2.8652948845	-0.1345225987	 0.123113
+H	 1.3933896701	 3.3415946618	 4.2797257736	 0.198538
+19
+0 5837	2.7346467	1.0776861	1.0354525	1.0014	77.63	-0.25539	0.02909	0.28448	1265.2116	0.15424	-422.512177	-422.502227	-422.501283	-422.546813	36.619
+O	 1.7143609182	 0.6910274091	 0.0684061069	-0.426162
+C	 0.311950568	 0.5369640007	-0.1071184166	-0.086039
+C	 0.0852090323	 0.1217878104	-1.5517117827	-0.053231
+C	 0.3426603158	 1.2546186218	-2.5824056029	-0.21721
+C	-1.184847154	 1.5170551319	-2.6534818123	-0.264358
+C	-1.4373835561	 0.1429853095	-1.9696841509	 0.222429
+O	-2.3971214606	 0.2273317614	-0.9269449982	-0.465554
+C	-1.7684677268	-0.9280924811	-2.9027588111	 0.282141
+C	-2.0435259667	-1.8361873984	-3.6422067807	-0.468099
+H	 1.869490189	 1.0044938927	 0.9640870977	 0.285908
+H	-0.0954954764	-0.2306173547	 0.5683880536	 0.083118
+H	-0.224358098	 1.4723585493	 0.1102769627	 0.093394
+H	 0.6056029676	-0.8204328133	-1.7380929193	 0.082093
+H	 0.9734875578	 2.0738340112	-2.2344720832	 0.111974
+H	 0.7457115242	 0.8762080109	-3.523913723	 0.108951
+H	-1.5086215574	 2.3130932642	-1.9789102881	 0.117764
+H	-1.6422803333	 1.6686495073	-3.631947585	 0.108721
+H	-2.6844163353	-0.6663825016	-0.7112172421	 0.284062
+H	-2.2887936582	-2.6292769813	-4.3047998548	 0.200096
+19
+0 5838	3.4795496	0.7454534	0.6568471	2.6453	81.6	-0.24717	0.0424	0.28957	1691.8128	0.155139	-422.508564	-422.498293	-422.497348	-422.546851	34.756
+C	 1.5416426381	 0.0658634853	-0.0118794306	-0.49766
+C	 0.0862451617	 0.0559996359	 0.017488193	 0.067805
+C	-1.1181273453	 0.0520566939	 0.0442576675	 0.079134
+C	-2.5645846662	 0.0271907832	 0.0667107435	-0.265815
+C	-3.3282133419	-0.0414768573	-1.2862650377	-0.072744
+O	-4.0612052253	-1.2101778525	-0.8688534256	-0.307951
+C	-3.2849310202	-1.3236854177	 0.3502458189	 0.132391
+C	-4.2086390239	-1.4075531722	 1.550625895	-0.07412
+O	-5.0741882689	-2.5183880279	 1.4312067929	-0.420206
+H	 1.9485317216	 0.8398720753	 0.6480914929	 0.149706
+H	 1.9519387743	-0.8965851519	 0.3131859844	 0.150823
+H	 1.917252261	 0.2607220586	-1.0224729995	 0.150055
+H	-2.9551637966	 0.8234353985	 0.7093559316	 0.104863
+H	-3.9879881425	 0.8025542288	-1.5134479728	 0.110126
+H	-2.6839646841	-0.248174757	-2.1481532007	 0.11234
+H	-2.6219867005	-2.1962448365	 0.3095014032	 0.090636
+H	-3.6270981555	-1.5443953907	 2.4692706213	 0.112914
+H	-4.7719280808	-0.4637446489	 1.6412761693	 0.082263
+H	-5.494757035	-2.4357376368	 0.5664339636	 0.295441
+19
+0 5839	2.4094306	0.9247079	0.723418	2.6241	81.33	-0.24393	0.02933	0.27326	1606.2411	0.154902	-422.50257	-422.492209	-422.491265	-422.540411	34.944
+C	 1.5071091845	-0.018199028	-0.0008852809	-0.498771
+C	 0.0521525399	-0.0350962069	 0.0149268447	 0.069373
+C	-1.1524807953	-0.0371802513	 0.0255504048	 0.093931
+C	-2.6042098609	-0.0511060848	 0.0416134844	-0.064844
+O	-3.2054899032	 0.4129887416	-1.2017969024	-0.278081
+C	-3.8371062358	-0.8604614073	-1.4373242497	-0.091288
+C	-3.3096492594	-1.431182746	-0.105201241	-0.078035
+C	-4.3495386149	-1.7432677248	 0.9593942653	-0.077498
+O	-3.7830715748	-1.8769444493	 2.2524345145	-0.414689
+H	 1.9103791284	 0.4185835534	 0.9192860713	 0.151038
+H	 1.9195345534	-1.0283876786	-0.099926467	 0.146908
+H	 1.8817660288	 0.576153324	-0.8415416851	 0.154705
+H	-2.9775520037	 0.5331961718	 0.8922881253	 0.109288
+H	-4.9286266635	-0.7698318844	-1.5143709197	 0.099682
+H	-3.4569609398	-1.3459953778	-2.3441362912	 0.105522
+H	-2.6099596922	-2.2640158983	-0.2171538631	 0.080562
+H	-5.0634966467	-0.9150041963	 1.0348224853	 0.117221
+H	-4.922440133	-2.6395699351	 0.67054104	 0.090299
+H	-3.1514385719	-2.603224832	 2.2276142543	 0.284676
+19
+0 5840	2.4233678	0.9551844	0.7287293	2.5838	82.08	-0.23757	0.02483	0.2624	1590.3956	0.154155	-422.49037	-422.479995	-422.47905	-422.527689	34.776
+C	-3.5034865987	 2.4708109131	 1.5799396721	-0.243629
+O	-4.1190867417	 1.7943300536	 0.5014569673	-0.233546
+C	-3.2109254866	 1.3127548049	-0.4394180174	 0.068878
+C	-3.8627568019	 0.5509067911	-1.5981935163	-0.106285
+O	-3.0186519479	-0.5988457862	-1.3798849613	-0.285523
+C	-2.4985007074	-0.049759168	-0.1373175096	-0.071563
+C	-1.0542812468	-0.0791396999	-0.0378117681	 0.0663
+C	 0.147400809	-0.078766715	 0.0499193918	 0.084104
+C	 1.5989594559	-0.091410663	 0.1486283588	-0.499355
+H	-2.835827408	 1.8095382098	 2.1507770869	 0.118084
+H	-2.9180271213	 3.3346836677	 1.2306090406	 0.111315
+H	-4.3013903665	 2.8222110638	 2.2375761727	 0.131966
+H	-2.4996835536	 2.090343938	-0.7488152452	 0.083827
+H	-4.9220611046	 0.3355556609	-1.4106765299	 0.10992
+H	-3.7399086005	 0.9663675798	-2.6034694375	 0.110079
+H	-2.9639116696	-0.5453687709	 0.7268899582	 0.09996
+H	 1.9372287474	-0.6930012474	 0.9993067232	 0.150787
+H	 2.047789526	-0.5143140371	-0.7568538026	 0.155779
+H	 1.9994473369	 0.9206161347	 0.2743828363	 0.148901
+19
+0 5841	2.0489866	1.381099	0.8723851	1.7258	77.2	-0.25014	0.04162	0.29175999999999996	1319.5906	0.154275	-422.489011	-422.479191	-422.478247	-422.524624	34.595
+C	 1.6236700815	 0.9227333587	-0.0378219931	-0.249737
+O	 0.2808122925	 0.4813974733	 0.0301494871	-0.238377
+C	-0.3455849596	 0.7740858313	 1.2420180364	 0.071696
+C	-1.7890666948	 0.2566298249	 1.3172271342	-0.106642
+O	-2.2866359829	 1.5708714834	 1.6528541525	-0.29305
+C	-0.9964856741	 2.1754485827	 1.4199568673	 0.119028
+C	-0.5855117905	 3.0531696833	 2.6044492235	-0.37449
+C	 0.6903047017	 3.7236370497	 2.3930720567	 0.295429
+C	 1.7454354207	 4.2632848524	 2.1898338834	-0.449609
+H	 2.2410403772	 0.4453393528	 0.7384396358	 0.10796
+H	 2.0040128514	 0.6367821791	-1.0209626542	 0.12785
+H	 1.7053028469	 2.0115577243	 0.0809530026	 0.126229
+H	 0.2861047589	 0.4863299077	 2.095866294	 0.073785
+H	-2.1553278009	-0.0915370189	 0.3441248958	 0.114584
+H	-2.0235946118	-0.4830376153	 2.0895929689	 0.107468
+H	-0.9830948543	 2.7551709731	 0.4873545646	 0.091595
+H	-1.3784206592	 3.7935932167	 2.7690461912	 0.145181
+H	-0.5484146556	 2.4345161139	 3.5097889817	 0.131396
+H	 2.6735135031	 4.753556897	 2.0289672417	 0.199703
+19
+0 5842	2.7105498	0.9821054	0.7747667	3.0728	78.05	-0.24312	0.05371	0.29683	1471.1408	0.154633	-422.500728	-422.490796	-422.489852	-422.536682	34.966
+O	 5.1864662101	 2.4567986541	 0.9907738472	-0.421743
+C	 5.3158419059	 1.4838902426	 2.0176030205	-0.102711
+C	 4.6088741627	 0.2351171031	 1.5360786599	-0.050565
+C	 4.3548132488	-0.9004785404	 2.5477531543	-0.097848
+O	 2.9377028151	-0.8767267315	 2.2855046953	-0.289715
+C	 3.0679452859	 0.2899331954	 1.4407317682	 0.166018
+C	 2.4411456059	 0.106674376	 0.058796322	-0.375643
+C	 0.9865112057	 0.0274799152	 0.094450733	 0.299482
+C	-0.213017687	-0.0249381372	 0.1425097131	-0.43898
+H	 5.5825589435	 3.2782590086	 1.2958909031	 0.291167
+H	 6.373860695	 1.260445422	 2.2312809758	 0.090509
+H	 4.8563706647	 1.8297943438	 2.9578619042	 0.090513
+H	 5.071612274	-0.1086064345	 0.6064835456	 0.087886
+H	 4.8008806507	-1.8750959299	 2.32045862	 0.106481
+H	 4.5829067395	-0.6419165643	 3.5916282882	 0.096216
+H	 2.6328413481	 1.1746536098	 1.925135566	 0.08433
+H	 2.7582243014	 0.9555335804	-0.5616424979	 0.143362
+H	 2.856449747	-0.7995914345	-0.3992783389	 0.127866
+H	-1.2724147769	-0.0801977087	 0.1812383605	 0.193374
+19
+0 5843	2.0989718	1.3965263	0.8843068	2.8437	76.81	-0.24855	0.03384	0.28239	1292.8023	0.155106	-422.501976	-422.492346	-422.491402	-422.537057	34.632
+O	 0.6584848537	 2.9416476845	-1.6325594503	-0.42104
+C	 2.0339611308	 3.2674680843	-1.6821125269	-0.091476
+C	 2.9048873875	 2.0236489675	-1.6160299131	 0.124855
+O	 4.3117248293	 2.3000534753	-1.8079958885	-0.291618
+C	 4.6668207545	 1.4898529412	-0.6695189426	-0.102516
+C	 3.1919844597	 1.3910941429	-0.2319512052	-0.048215
+C	 2.5938705114	 0.0194539269	 0.0936767765	-0.376337
+C	 1.1520400554	 0.0988531301	 0.3081928967	 0.293719
+C	-0.0334944171	 0.2150622366	 0.4793637109	-0.438793
+H	 0.5059470722	 2.3769940457	-0.863843889	 0.286102
+H	 2.2047422537	 3.7747123457	-2.6377754063	 0.117974
+H	 2.3298520293	 3.9652889298	-0.8817497253	 0.084584
+H	 2.5373463067	 1.2914786199	-2.351190501	 0.079611
+H	 5.1094581221	 0.5298921697	-0.9735908257	 0.097048
+H	 5.359363189	 2.0042206123	 0.0050989661	 0.10952
+H	 2.9627710188	 2.0917049855	 0.5766802592	 0.093188
+H	 2.8083661414	-0.6818602469	-0.7229785912	 0.137721
+H	 3.0746894415	-0.3926582652	 0.9903496363	 0.13766
+H	-1.0825543299	 0.2770477043	 0.6357545192	 0.208014
+19
+0 5844	2.4666099	1.2185887	0.8602683	1.5561	80.28	-0.24647	-0.06745	0.17902	1348.5586	0.155486	-422.570341	-422.561	-422.560055	-422.605195	32.84
+C	 1.1378623961	-0.5107354701	 1.2424642546	-0.382855
+C	 0.9277140664	 0.1397681762	-0.1269020552	-0.181162
+C	 1.7031538934	-0.5712528342	-1.2432975382	 0.024165
+O	 1.2824332278	-1.9400799952	-1.3451102437	-0.281867
+C	 0.7998992481	-2.2255430804	-2.6529618273	-0.118041
+C	 0.9419239254	-0.9478167275	-3.4148115742	-0.173121
+C	 1.467517847	-0.004801567	-2.6274032801	 0.206137
+C	 1.7887004161	 1.3711772182	-3.0456188526	 0.071522
+O	 1.5681906089	 1.8190339896	-4.1486465463	-0.26091
+H	 0.8313520349	-1.5594846624	 1.2178594442	 0.137535
+H	 2.1922078936	-0.4753672946	 1.5388208987	 0.113773
+H	 0.5559573962	 0.0010465334	 2.0144360087	 0.11269
+H	-0.1365543967	 0.137429655	-0.3913408471	 0.101185
+H	 1.24573734	 1.1904089586	-0.0970961376	 0.096391
+H	 2.7762368856	-0.5596307042	-0.9863035336	 0.085061
+H	 1.3882968152	-3.0402771875	-3.1052905261	 0.118667
+H	-0.2446791358	-2.5732965807	-2.6105670654	 0.118286
+H	 0.6673616628	-0.8176060943	-4.4538176781	 0.139589
+H	 2.2704891048	 2.0014443072	-2.2659991408	 0.072956
+19
+0 5845	2.1281073	1.576515	1.0000063	2.8249	81.15	-0.24534	-0.05774	0.1876	1212.4297	0.156154	-422.568912	-422.559676	-422.558732	-422.603624	32.615
+C	 0.9540178474	 0.0268401793	-0.5592828567	-0.251225
+O	 0.3709223014	-0.4635443989	 0.6348448198	-0.258846
+C	-0.2070520889	 0.5308570055	 1.470547371	 0.01309
+C	-0.1428806372	 0.0495966767	 2.9395827325	-0.239572
+C	-1.5300581288	-0.5629784101	 3.2508522148	-0.260823
+C	-2.4089880053	 0.0343023148	 2.1895120384	-0.139899
+C	-1.7087807381	 0.659877542	 1.230734545	 0.245064
+C	-2.3315253332	 1.3424170264	 0.0958457814	 0.068349
+O	-1.7335415365	 1.8977801162	-0.801501361	-0.275848
+H	 1.7787664072	 0.7236037628	-0.3421737191	 0.100522
+H	 1.3584733296	-0.8392729471	-1.0894186903	 0.118752
+H	 0.2266607302	 0.5426786547	-1.1954257624	 0.142668
+H	 0.3190219319	 1.4827544316	 1.3220334628	 0.078724
+H	 0.6830526549	-0.6515334955	 3.0686532554	 0.117908
+H	 0.0338852828	 0.9067928597	 3.5956980541	 0.108855
+H	-1.534114991	-1.6586376238	 3.172027149	 0.132024
+H	-1.8830344241	-0.3295532594	 4.2615196898	 0.116085
+H	-3.4917237441	-0.0537346004	 2.1984410261	 0.111319
+H	-3.4446738184	 1.3349100557	 0.1156785593	 0.072854
+19
+0 5846	2.3628973	1.2005493	0.8629889	2.4449	79.5	-0.24979	-0.06097	0.18882000000000002	1335.2259	0.156591	-422.57947	-422.570298	-422.569354	-422.613843	32.929
+O	-0.1336196695	-0.7557898267	-0.8395462687	-0.412574
+C	 0.2580339426	 0.5247317955	-0.3747493277	-0.067647
+C	-0.3347109962	 0.8714909173	 1.0041739084	-0.143615
+C	-1.8862068016	 0.9257256475	 0.9891343274	-0.227645
+C	-2.2496182718	 2.4311467779	 0.8890360314	-0.26062
+C	-0.9930031	 3.1212049423	 1.3392228853	-0.126714
+C	 0.0477792326	 2.2793012291	 1.4299778798	 0.224675
+C	 1.4019676787	 2.6747824042	 1.8551669328	 0.066309
+O	 1.7319910982	 3.7994775202	 2.1610683472	-0.264249
+H	 0.2308885214	-1.414287194	-0.2391240392	 0.283046
+H	 1.3551076197	 0.6232345782	-0.3479365616	 0.091035
+H	-0.1096631442	 1.2372311022	-1.1215732749	 0.115256
+H	 0.0310160303	 0.1204302905	 1.7190294956	 0.066771
+H	-2.2969852157	 0.3233404934	 0.1762233927	 0.121325
+H	-2.2788154325	 0.5195323349	 1.9258998998	 0.105157
+H	-2.5045973665	 2.7371835663	-0.1356786806	 0.12314
+H	-3.1164718179	 2.7005841038	 1.5028598351	 0.117347
+H	-0.9264593987	 4.1819184142	 1.5545102004	 0.127825
+H	 2.1402195411	 1.8409959631	 1.8944183168	 0.06118
+19
+0 5847	2.4878889	1.4466989	0.9527016	3.1132	78.96	-0.23335	-0.05586	0.17749	1240.5371	0.156628	-422.58144	-422.572626	-422.571682	-422.615246	32.389
+C	 1.3124751438	 1.1314896163	 0.2772190883	-0.394259
+C	 1.0095405373	-0.3490667401	 0.0417265505	-0.181876
+C	 1.8319086294	-0.9529130049	-1.0899979296	 0.001216
+O	 3.203315271	-0.9329847502	-0.70535967	-0.256502
+C	 4.0835213409	-1.432304784	-1.6831920938	-0.12544
+C	 3.6764269761	-2.7812806879	-2.1978013255	-0.071319
+C	 2.4310470445	-3.2402465976	-2.034650066	-0.140574
+C	 1.383910124	-2.3784287583	-1.4517124679	 0.360052
+O	 0.2304195966	-2.7400147313	-1.3358924662	-0.329604
+H	 0.7254236216	 1.521013878	 1.1141067145	 0.113467
+H	 2.3713468714	 1.2814912207	 0.5041941487	 0.130135
+H	 1.0694618047	 1.7313204133	-0.6073255631	 0.110078
+H	 1.2113959001	-0.927425874	 0.9509335084	 0.10855
+H	-0.0447746319	-0.5050628536	-0.201794108	 0.124613
+H	 1.6982448045	-0.3437577139	-2.0065325392	 0.084085
+H	 4.1772595222	-0.7292374962	-2.5344012482	 0.108745
+H	 5.0715972607	-1.487581791	-1.2124312293	 0.128231
+H	 4.4341400823	-3.3674663606	-2.712752535	 0.116177
+H	 2.1159486309	-4.2224845647	-2.3718535888	 0.114226
+19
+0 5848	2.2792627	1.5955146	1.1632573	2.6251	79.03	-0.22701	-0.05222	0.17479	1126.5946	0.157296	-422.579183	-422.570383	-422.569439	-422.612898	32.148
+C	 1.4387039346	 0.0197868693	-0.1555153124	-0.240131
+O	 0.052865763	-0.1455595444	 0.0864765428	-0.257068
+C	-0.4456665164	 0.5963987052	 1.1941895722	 0.027251
+C	-1.9667942234	 0.6055146835	 1.0922218426	-0.253275
+C	-2.5471802921	-0.8073109966	 1.2434237721	-0.251414
+C	-1.9588010348	-1.5375217183	 2.4152789403	-0.037897
+C	-0.7948209987	-1.1998358417	 2.9877706297	-0.141476
+C	 0.0299097225	-0.0826932569	 2.4923112778	 0.372866
+O	 1.0713723219	 0.2479456429	 3.0282543235	-0.345708
+H	 2.0538019566	-0.3213642176	 0.6859175301	 0.132601
+H	 1.6744939296	-0.5752777061	-1.0410180549	 0.123943
+H	 1.6829192444	 1.0740117799	-0.354339378	 0.108356
+H	-0.0370339837	 1.6172082704	 1.1819436244	 0.077754
+H	-2.3598436468	 1.2483569564	 1.8889813175	 0.110041
+H	-2.2633745154	 1.0460231818	 0.1355264002	 0.109234
+H	-3.6380697337	-0.766906914	 1.339767701	 0.10988
+H	-2.345955566	-1.3900364966	 0.3341005184	 0.14268
+H	-2.5153233119	-2.3908744551	 2.7976271411	 0.107238
+H	-0.3947505597	-1.7401795221	 3.8402571315	 0.105123
+19
+0 5849	2.4541042	1.3663614	0.9158074	3.3726	78.19	-0.23697	-0.05039	0.18658	1255.917	0.15772	-422.594102	-422.585354	-422.58441	-422.62776	32.487
+O	 0.0743655763	-1.1485991481	-0.1941923049	-0.421738
+C	 0.522232159	 0.1694310305	 0.0955339558	-0.084094
+C	-0.3449481542	 0.8618248453	 1.1544136894	-0.136363
+C	-1.8209921818	 0.9617602377	 0.7421156173	-0.207366
+C	-2.6671874557	 1.628749885	 1.8318146276	-0.278181
+C	-2.0274898909	 2.8888109333	 2.3419423601	-0.039514
+C	-0.7283357028	 3.1714796257	 2.1792506896	-0.137595
+C	 0.2139107529	 2.2377991133	 1.5260770715	 0.377097
+O	 1.3768572728	 2.5386895092	 1.3319167448	-0.343211
+H	 0.3021269654	-1.7084654202	 0.554652756	 0.281524
+H	 1.5719731496	 0.1878981834	 0.408629561	 0.114102
+H	 0.4581596415	 0.7211457801	-0.8486328777	 0.115961
+H	-0.2900194045	 0.264404857	 2.0818088963	 0.086846
+H	-1.8894370864	 1.5586070967	-0.1772060577	 0.106614
+H	-2.1984383236	-0.03505179	 0.5004943793	 0.116108
+H	-3.6744125922	 1.8507971649	 1.4601231216	 0.1146
+H	-2.8152188427	 0.9397191916	 2.6784704878	 0.120785
+H	-2.6675003492	 3.594613342	 2.8677447204	 0.107724
+H	-0.2921624734	 4.0995410427	 2.5359149918	 0.106702
+19
+0 5850	3.163227	1.282804	0.9629922	1.7776	81.24	-0.22213	-0.03056	0.19157	1234.9325	0.157061	-422.544202	-422.535623	-422.534679	-422.577572	31.951
+C	 1.4661210498	-0.1402549914	 0.3484025191	-0.240789
+O	 0.0675491835	-0.0375227569	 0.1530044414	-0.239389
+C	-0.5707630027	 0.8017118609	 1.0563808316	 0.167651
+O	-0.1140716588	 2.139372429	 0.8499557891	-0.255884
+C	-0.1493570368	 2.9627392557	 1.9913796395	-0.136156
+C	-1.4933216718	 3.1682249092	 2.6302297546	-0.076579
+C	-2.6630161943	 2.5721383807	 2.3524187441	-0.079096
+C	-2.9433607666	 1.4916274008	 1.4094204151	-0.073964
+C	-2.0506659465	 0.6857964042	 0.8242281304	-0.096862
+H	 1.6998186364	-0.5022943083	 1.3616634772	 0.102453
+H	 1.8346559945	-0.8642594364	-0.3810674147	 0.128345
+H	 1.9651282144	 0.8219692175	 0.1924750821	 0.1285
+H	-0.3149201452	 0.5168598798	 2.0979018175	 0.063409
+H	 0.5633133419	 2.6131200152	 2.7622896369	 0.098116
+H	 0.2298924113	 3.9346990917	 1.6491174216	 0.12543
+H	-1.4844722273	 3.9326574618	 3.4060565711	 0.094243
+H	-3.5299219924	 2.9205570887	 2.9098615902	 0.089673
+H	-3.996722332	 1.3200324446	 1.2021108067	 0.094277
+H	-2.3608597374	-0.098378517	 0.1421361164	 0.106621
+19
+0 5851	3.1482297	1.2322868	0.9237031	2.0389	80.84	-0.22529	-0.03459	0.19069999999999998	1255.3163	0.157852	-422.553478	-422.54501	-422.544066	-422.586878	32.044
+O	 0.961023137	 1.0037235996	 0.4838901633	-0.427745
+C	 0.0274382588	-0.0050768778	 0.1749680821	-0.066186
+C	-1.1562424109	 0.548098248	-0.6206679956	 0.024266
+O	-0.5755548208	 1.165651087	-1.7782991793	-0.265596
+C	-1.3049049616	 2.2341766242	-2.3359582607	-0.139037
+C	-2.6806971948	 1.9179866757	-2.8460244308	-0.077993
+C	-3.4054813186	 0.799854705	-2.6939611885	-0.075523
+C	-3.0999658506	-0.393628165	-1.9105680636	-0.081541
+C	-2.1421084417	-0.5280273065	-0.9850033332	-0.072619
+H	 1.1316542629	 1.4533839817	-0.3530535614	 0.285764
+H	 0.4861265679	-0.8244131461	-0.4032946873	 0.095147
+H	-0.331617951	-0.4229441996	 1.1212858345	 0.109194
+H	-1.6468452987	 1.3286025044	-0.0166791031	 0.091202
+H	-1.367638809	 3.0828825141	-1.6303117828	 0.105149
+H	-0.6917391148	 2.5846510486	-3.1772341875	 0.123109
+H	-3.1094935827	 2.7245802247	-3.4390556265	 0.096291
+H	-4.3668817393	 0.7714339415	-3.2022580876	 0.090422
+H	-3.758150451	-1.241218973	-2.0868239137	 0.093294
+H	-2.0428498712	-1.4767118665	-0.4622461382	 0.092404
+19
+0 5852	2.2633674	1.3110127	0.9134699	1.303	77.41	-0.25934	0.02821	0.28755000000000003	1309.8315	0.155585	-422.523409	-422.514004	-422.51306	-422.558455	33.743
+C	 1.931646648	-0.7825481123	 1.3900483149	-0.386954
+C	 1.5838191063	 0.0257038044	 0.1374019959	-0.20544
+C	 1.8651101447	-0.7272016727	-1.1515926962	 0.102217
+O	 1.0351466301	-1.8791542205	-1.2460611402	-0.248362
+C	 0.992382343	-2.1717363078	-2.6154136502	 0.017587
+O	 0.8856577439	-0.9337849982	-3.2927368674	-0.257338
+C	 1.5105593341	 0.0499841064	-2.4599987998	-0.086111
+C	 2.6725951194	 0.6609946104	-3.0961176547	 0.330686
+C	 3.6382600538	 1.1717960586	-3.5968869108	-0.461793
+H	 1.3606411046	-1.7142683788	 1.4197072504	 0.138025
+H	 2.9963491083	-1.0393223278	 1.4119497699	 0.116933
+H	 1.706308004	-0.213752665	 2.2967562271	 0.114996
+H	 0.5228874915	 0.3034134624	 0.1482193588	 0.108842
+H	 2.1602756193	 0.9586726875	 0.1149970481	 0.110399
+H	 2.9234076626	-1.0291922564	-1.197188522	 0.082355
+H	 1.9072595412	-2.7038297521	-2.932943942	 0.089705
+H	 0.1071284683	-2.776827382	-2.8292018503	 0.121908
+H	 0.7619229618	 0.8241099832	-2.2466570013	 0.109573
+H	 4.4854566252	 1.6252561708	-4.0494528802	 0.202772
+19
+0 5853	2.4746281	1.2484585	0.9777688	2.4978	77.4	-0.2548	0.0369	0.2917	1272.2059	0.155722	-422.509392	-422.500058	-422.499114	-422.544414	33.613
+C	 1.5371075379	 0.087886262	-0.2918545777	-0.238522
+O	 0.1462367475	 0.3173332825	-0.2968714659	-0.245867
+C	-0.3856926098	 0.6048159694	 0.9802632744	 0.123379
+C	-0.0717568616	 2.0422782811	 1.476365459	-0.255695
+C	-1.4579020747	 2.6297790497	 1.7789775433	-0.087463
+O	-2.3398867715	 1.9684897951	 0.8797834287	-0.230345
+C	-1.9386093431	 0.6023449511	 0.8540890098	-0.126602
+C	-2.5801550037	-0.1692465788	 1.9245739356	 0.344019
+C	-3.1023332761	-0.7935956419	 2.8092914112	-0.478708
+H	 1.8065886494	-0.7450651282	 0.3764768851	 0.107219
+H	 1.8243797011	-0.1703274448	-1.3137717614	 0.131431
+H	 2.1065132858	 0.9763277264	 0.019339317	 0.10762
+H	-0.0526311084	-0.1567553129	 1.6975683114	 0.084394
+H	 0.5950018503	 2.0643194109	 2.3412220178	 0.104793
+H	 0.4006635826	 2.5885932907	 0.6553185753	 0.120607
+H	-1.7522756364	 2.435676725	 2.8215185379	 0.102267
+H	-1.5354908181	 3.7026711289	 1.5894800282	 0.114067
+H	-2.2172997761	 0.1962970964	-0.1221021727	 0.124065
+H	-3.575335235	-1.3485943925	 3.5814862931	 0.19934
+19
+0 5854	2.1259889	1.3691216	0.9222906	1.6394	78.12	-0.24386	0.05014	0.294	1296.2232	0.15587	-422.510316	-422.50103	-422.500086	-422.545092	33.572
+C	 1.563151715	-0.2006058513	 0.1796347749	-0.241188
+O	 0.1832980292	 0.0649431115	 0.0667518298	-0.242435
+C	-0.3279141343	 0.8897731225	 1.0948516859	 0.107885
+C	-0.0716845426	 2.3975252653	 0.8632150958	-0.112943
+O	-1.2383247952	 2.9069044833	 0.238406241	-0.236217
+C	-2.3230995534	 2.2727694006	 0.88587149	-0.103421
+C	-1.8837859658	 0.7923732423	 1.0405593461	-0.18992
+C	-2.497450464	 0.1095380975	 2.1656858505	 0.308528
+C	-3.0114413095	-0.4306209335	 3.1088392898	-0.473559
+H	 1.8037671716	-0.6862795411	 1.1380463941	 0.109894
+H	 1.8280132289	-0.876264036	-0.6369100104	 0.13279
+H	 2.1757318849	 0.7094259055	 0.0919797143	 0.106212
+H	 0.0640158657	 0.56168306	 2.0666729719	 0.081654
+H	 0.1018530168	 2.9021289577	 1.8281658361	 0.089928
+H	 0.7807258744	 2.5862589015	 0.2065270238	 0.115053
+H	-2.5121915711	 2.7155313775	 1.8765714581	 0.099135
+H	-3.2147642523	 2.3934053401	 0.2678443377	 0.122004
+H	-2.1082825075	 0.2570880601	 0.1123544924	 0.129782
+H	-3.4689407307	-0.9163683236	 3.9347277984	 0.196817
+19
+0 5855	2.3730027	1.314603	0.9524147	0.5565	77.97	-0.25861	0.05232	0.31093	1275.5209	0.156063	-422.525132	-422.515831	-422.514886	-422.559871	33.603
+C	 1.4056388171	 0.2247386079	-0.1517635844	-0.244069
+O	 0.0009060597	 0.3279259419	 0.0067361079	-0.24596
+C	-0.3903157837	 0.6534111075	 1.3140874873	 0.20757
+O	 0.007608312	 1.9531711345	 1.6868672135	-0.248811
+C	-1.0347538423	 2.8524191066	 1.3091079086	-0.098121
+C	-2.3190753396	 2.1067796604	 1.676855682	-0.231878
+C	-1.9519218145	 0.6360156852	 1.3351037652	-0.204184
+C	-2.5173763325	-0.3463302653	 2.245526521	 0.309438
+C	-2.9816196912	-1.1519166881	 3.0074979821	-0.464209
+H	 1.822162564	-0.5588947925	 0.4988006397	 0.108713
+H	 1.5899480857	-0.0437813592	-1.1940875664	 0.126702
+H	 1.9062365159	 1.1727539383	 0.0758834808	 0.126474
+H	 0.0712753562	-0.0351586834	 2.033115275	 0.086205
+H	-0.8881915643	 3.7838466835	 1.8602732756	 0.112703
+H	-0.9897741579	 3.0674224126	 0.2320428901	 0.103574
+H	-2.5183367279	 2.2012592061	 2.7469431339	 0.122455
+H	-3.1968732505	 2.4539665337	 1.1279979095	 0.11288
+H	-2.2641645329	 0.4028519513	 0.3122136035	 0.124597
+H	-3.3943461732	-1.8664445315	 3.6756097752	 0.195921
+19
+0 5856	2.7237525	1.1392705	0.9747457	1.2521	76.58	-0.25736	0.03795	0.29530999999999996	1271.1044	0.156363	-422.524143	-422.51474	-422.513796	-422.559112	33.946
+O	 1.6708983704	 0.5902210293	-0.4318714932	-0.422191
+C	 0.4080668871	 0.0038814643	-0.1584788939	-0.107046
+C	-0.6703897337	 1.0511330464	-0.4289745675	 0.021606
+C	-0.6803851427	 1.5207984389	-1.9074626468	-0.242236
+C	-1.9648114095	 0.8941993461	-2.4964327424	-0.080528
+O	-2.398041774	-0.0868076028	-1.5542295589	-0.238243
+C	-2.0782879435	 0.4192677851	-0.2626282063	-0.139699
+C	-3.0752854243	 1.3843864583	 0.2177937732	 0.343469
+C	-3.8897389922	 2.1811318564	 0.6014045401	-0.45514
+H	 2.3443803802	-0.0909925899	-0.3491710779	 0.288646
+H	 0.2255308956	-0.87530992	-0.7967371796	 0.09885
+H	 0.3447446684	-0.3259343351	 0.8909911477	 0.089477
+H	-0.5260794153	 1.8865261869	 0.2591799243	 0.096924
+H	-0.6988471769	 2.6098181103	-1.9841908663	 0.109361
+H	 0.2221187406	 1.1742229479	-2.4144923971	 0.121582
+H	-2.7462084597	 1.6541967232	-2.6337172077	 0.102996
+H	-1.8107993287	 0.3805063616	-3.4483893123	 0.108638
+H	-2.062767009	-0.4438073801	 0.4127241609	 0.105785
+H	-4.6147107727	 2.8765363233	 0.9462094837	 0.19775
+19
+0 5857	2.200185	1.2578933	0.8859975	2.0525	77.26	-0.25521	0.04603	0.30124	1318.0015	0.156639	-422.525375	-422.516098	-422.515154	-422.560341	33.837
+O	 1.5962708079	 0.2747332241	 0.3601678046	-0.417747
+C	 0.2536606262	-0.177405274	 0.3088558086	-0.082803
+C	-0.6065233318	 0.3886470186	 1.4425003324	-0.031855
+C	-0.7279399592	 1.9279309864	 1.3722981123	-0.097697
+O	-1.977843257	 2.1900145333	 0.7484910353	-0.238554
+C	-2.8781842983	 1.2531945994	 1.2997542623	-0.097902
+C	-2.0933538867	-0.0890929443	 1.3211801891	-0.201023
+C	-2.527981291	-1.0097372836	 2.357939229	 0.315066
+C	-2.8942550705	-1.7564978282	 3.2263925575	-0.46771
+H	 2.006329225	-0.1001661539	 1.1464595277	 0.28377
+H	-0.1405385991	 0.1711984552	-0.652865876	 0.121451
+H	 0.1971611886	-1.2770489981	 0.3090115756	 0.096236
+H	-0.1846125451	 0.0735788839	 2.4019948602	 0.078421
+H	-0.7056321344	 2.3672445377	 2.3818274656	 0.089189
+H	 0.063138916	 2.3840015741	 0.7734567072	 0.126924
+H	-3.1683781442	 1.5298709268	 2.3255500541	 0.099487
+H	-3.773047334	 1.220052867	 0.6749033374	 0.118546
+H	-2.2217814787	-0.5723760999	 0.3444930312	 0.108939
+H	-3.2213880038	-2.4205120044	 3.987624006	 0.197261
+19
+0 5858	2.1185456	1.3632606	0.8809116	2.6164	77.54	-0.2511	0.04488	0.29598	1306.8454	0.156391	-422.530412	-422.521043	-422.520099	-422.565841	33.881
+O	 0.9691483458	 1.0609511482	-0.2969278813	-0.423155
+C	-0.0687933447	 0.1937451188	 0.1089067539	-0.068955
+C	-0.8294478042	 0.7607973681	 1.2998536134	 0.122637
+O	 0.1142858444	 0.9892185539	 2.352584239	-0.296755
+C	-0.4052999381	 0.5482485083	 3.6087837555	-0.07915
+C	-1.8913680954	 0.260404107	 3.3815482326	-0.242508
+C	-1.9046163216	-0.1756952154	 1.8982246392	-0.213825
+C	-3.1976737712	-0.0937086954	 1.2409665138	 0.311324
+C	-4.263673529	-0.0122972107	 0.6914996568	-0.441388
+H	 1.4761453546	 1.2563689061	 0.5002104872	 0.291798
+H	-0.7454451281	 0.0762081236	-0.7440155736	 0.117142
+H	 0.3190313341	-0.8035623019	 0.3778572685	 0.080198
+H	-1.286202378	 1.7189204895	 1.0135493919	 0.086984
+H	 0.1321219267	-0.3556079861	 3.9295989778	 0.099812
+H	-0.2333188801	 1.3279713407	 4.358366525	 0.110824
+H	-2.2895624086	-0.503775044	 4.0521875406	 0.116706
+H	-2.4906103349	 1.1676811689	 3.500159308	 0.123237
+H	-1.5331225036	-1.2081924332	 1.8348384376	 0.106717
+H	-5.2056846382	 0.0543113135	 0.205864214	 0.198358
+19
+0 5859	3.8564041	0.5581399	0.5039745	2.2961	83.67	-0.251	-0.04616	0.20484	2162.7514	0.153745	-422.542098	-422.530946	-422.530002	-422.581347	36.868
+C	 1.0696056047	-0.6898214404	-0.777670857	-0.386292
+C	 0.5665864762	 0.5547362928	-0.029100397	-0.275452
+C	 1.638668628	 1.6216507029	 0.1291701063	 0.241246
+O	 1.5384288723	 2.7307934343	-0.3533399761	-0.286787
+C	 2.8063851107	 1.2352842061	 0.9008461081	 0.073533
+C	 3.775053047	 0.9172002323	 1.548589296	 0.016233
+C	 4.9587947392	 0.5772750392	 2.320877479	-0.334206
+C	 5.9804649567	 1.7195683472	 2.3807245081	-0.064576
+O	 7.0672096082	 1.247672091	 3.1557699535	-0.413924
+H	 1.9156620084	-1.1476095735	-0.2575804734	 0.131668
+H	 0.2734125338	-1.4353942726	-0.8540642106	 0.12365
+H	 1.3918498181	-0.4340951184	-1.7916517396	 0.130406
+H	-0.2718850689	 1.0200960354	-0.5540616913	 0.121877
+H	 0.2257664172	 0.2639989388	 0.9728915721	 0.119557
+H	 4.6737219255	 0.3057975953	 3.3448805523	 0.14903
+H	 5.4454325369	-0.3082495937	 1.8936935606	 0.148575
+H	 6.2889379327	 1.9868265199	 1.3594763192	 0.106217
+H	 5.5098151412	 2.6067220837	 2.828972377	 0.106535
+H	 7.7265552719	 1.9453206098	 3.2104071326	 0.292711
+19
+0 5860	3.8893933	0.5772674	0.5197112	4.4067	84.96	-0.25382	-0.04864	0.20517999999999997	2144.0266	0.153129	-422.520138	-422.509026	-422.508082	-422.559121	36.376
+C	 0.8846895375	-0.7693361564	-0.3171815933	-0.386388
+C	 0.5767695641	 0.6531484894	 0.1772628558	-0.277222
+C	 1.7110279088	 1.6295932306	-0.0914659015	 0.239403
+O	 1.5907190139	 2.6004387113	-0.8081313438	-0.281083
+C	 2.969722242	 1.3297994939	 0.5694460057	 0.145706
+C	 4.0157093776	 1.0890530236	 1.121658578	-0.026575
+C	 5.2653726537	 0.7781466625	 1.7990978559	-0.203367
+O	 6.2526391642	 1.7309164832	 1.4754116776	-0.223305
+C	 7.4803219112	 1.4600716767	 2.114984802	-0.22196
+H	 1.781257761	-1.1696531124	 0.1644214417	 0.129626
+H	 0.05017528	-1.4389026327	-0.0917837148	 0.124618
+H	 1.0460866198	-0.7819324281	-1.3992935806	 0.132598
+H	-0.3132627513	 1.0577629726	-0.3117768033	 0.12414
+H	 0.3943018366	 0.6320814151	 1.2593629652	 0.119959
+H	 5.0886580615	 0.7496047545	 2.8894031658	 0.124699
+H	 5.5905230654	-0.2379980779	 1.5118817014	 0.124341
+H	 7.3822675094	 1.4773135536	 3.2119367383	 0.108351
+H	 7.8868135639	 0.4795763561	 1.8206130643	 0.108238
+H	 8.1795471707	 2.2405250241	 1.8088954654	 0.138221
+19
+0 5861	3.314463	0.6336598	0.5400278	4.039	84.15	-0.25047	-0.05573	0.19474000000000002	2035.9824	0.153514	-422.539058	-422.527953	-422.527009	-422.577777	36.984
+C	 1.3313032182	-0.6811340724	-0.8008045656	-0.383784
+C	 1.5927392643	 0.2160001278	 0.4100349384	-0.163953
+C	 1.2409550898	 1.6910941222	 0.1273756682	-0.343937
+C	 1.4656229335	 2.5769679523	 1.2596935736	 0.035418
+C	 1.6445287626	 3.3110949357	 2.2037265114	 0.073875
+C	 1.8724566652	 4.2113601792	 3.3178192264	 0.195538
+O	 1.6007376925	 5.3909748097	 3.2746705372	-0.276752
+C	 2.5312050811	 3.5838513964	 4.550757447	-0.158112
+O	 2.4720617656	 2.1796626134	 4.6126339739	-0.411008
+H	 1.5881969917	-1.7210787491	-0.5803802483	 0.122287
+H	 0.276529226	-0.6535170333	-1.0953946032	 0.121772
+H	 1.9262078807	-0.3664685071	-1.6652757062	 0.120503
+H	 1.0078649954	-0.1286175082	 1.2698320295	 0.119089
+H	 2.646472075	 0.1533631497	 0.7047127013	 0.110024
+H	 1.8246417726	 2.0551925178	-0.7290709526	 0.143359
+H	 0.1880578564	 1.7697105501	-0.1757220247	 0.145913
+H	 3.5666914039	 3.9655510616	 4.5796686987	 0.120651
+H	 2.0210591451	 3.9785212736	 5.4340698057	 0.145634
+H	 2.7369439004	 1.8329543305	 3.7528715293	 0.283484
+19
+0 5862	5.22958	0.5211666	0.4795687	2.5306	85.43	-0.26208	-0.02842	0.23365999999999998	2305.4519	0.154268	-422.554812	-422.543911	-422.542966	-422.593192	36.086
+C	 0.6406241772	-0.8843831273	-0.8955002853	-0.382948
+C	 1.1697473477	-0.0096848694	 0.2423259642	-0.15855
+C	 1.2021299973	 1.4843091404	-0.1399218356	-0.353727
+C	 1.7007258237	 2.3479757373	 0.9199463168	 0.192913
+C	 2.1162597263	 3.0435592042	 1.8126189212	-0.01426
+C	 2.6013193526	 3.9512078146	 2.8218470953	 0.249365
+O	 2.701225	 5.14646536	 2.6848992479	-0.359795
+O	 2.9326159853	 3.2890899823	 3.9495072987	-0.217708
+C	 3.4267398632	 4.1173221255	 5.0096862595	-0.239849
+H	 0.6253639047	-1.9389114106	-0.6053290468	 0.119283
+H	-0.3803451247	-0.6006490971	-1.1740723819	 0.118712
+H	 1.2657152999	-0.7941955326	-1.7908240812	 0.118727
+H	 0.5476923638	-0.1327675421	 1.1355879651	 0.115177
+H	 2.1804923172	-0.3246774152	 0.5237572198	 0.115154
+H	 1.8241463245	 1.6244173806	-1.0344961333	 0.139458
+H	 0.1939486953	 1.8159487052	-0.4235254341	 0.1395
+H	 3.6465044735	 3.4390498216	 5.834044664	 0.133856
+H	 4.330207926	 4.6472359708	 4.697135119	 0.142383
+H	 2.6751976764	 4.852944832	 5.3077558468	 0.14231
+19
+0 5863	3.5711619	0.5533174	0.4935329	1.626	83.05	-0.24453	-0.02725	0.21728	2175.5131	0.153279	-422.536958	-422.525761	-422.524817	-422.576099	37.113
+C	 0.5027156958	 0.7622199986	-0.0228287585	-0.397152
+C	 0.9934324014	-0.702541742	 0.0699891451	-0.212294
+C	 1.8696917853	-0.8495637478	 1.3175314535	 0.173259
+O	 1.5339298219	-1.4230550283	 2.317771298	-0.243223
+C	 1.7605409097	-1.0999232524	-1.1063092567	 0.085312
+C	 2.4342509795	-1.4139148143	-2.0549496714	 0.017297
+C	 3.2336254174	-1.8292236022	-3.2001219558	-0.324961
+C	 3.6594154628	-3.299913625	-3.1204301812	-0.063086
+O	 4.4220098343	-3.5691105384	-4.2835835511	-0.414703
+H	-0.1003900016	 1.0162299065	 0.8533364729	 0.132295
+H	 1.3498422704	 1.4522497399	-0.0799992167	 0.131764
+H	-0.103948646	 0.8968468703	-0.9212583588	 0.138177
+H	 0.1321833735	-1.365050326	 0.2112158486	 0.122083
+H	 2.8622461338	-0.3533930166	 1.2268454712	 0.085324
+H	 2.6730134325	-1.6809230111	-4.1311241097	 0.140102
+H	 4.1359988333	-1.2111568335	-3.281433698	 0.139175
+H	 4.2429203104	-3.4619668026	-2.2019614808	 0.099842
+H	 2.7640040746	-3.93632509	-3.061609446	 0.10025
+H	 4.7013573609	-4.4886469351	-4.2564044047	 0.290538
+19
+0 5864	3.8410497	0.5403901	0.4975352	3.9593	83.94	-0.24295	-0.03281	0.21014	2142.1679	0.15278	-422.533354	-422.522062	-422.521117	-422.573207	37.359
+C	 1.9947613135	 4.359709773	-5.339931058	-0.382672
+C	 1.4300537465	 3.9077357368	-3.9921496856	-0.157052
+C	 1.9492214153	 2.5142349087	-3.5803694776	-0.338774
+C	 1.4281369514	 2.0599226112	-2.2970344637	 0.018168
+C	 0.9742369002	 1.7330112152	-1.2282397836	 0.075785
+C	 0.4697219482	 1.2410877485	 0.0481935727	-0.08496
+O	-0.6218071269	 0.3367349988	-0.0889232071	-0.416401
+C	 1.6154881961	 0.5276988291	 0.7910952732	 0.160825
+O	 2.2194438224	 0.9920982834	 1.7171500985	-0.231116
+H	 1.7189444761	 3.6644849637	-6.1406628489	 0.117423
+H	 1.6154585422	 5.3486815085	-5.6128930535	 0.119531
+H	 3.0885295535	 4.4180442423	-5.3136964409	 0.118958
+H	 1.6944804237	 4.6278719562	-3.2102194633	 0.115257
+H	 0.3355436258	 3.8802487177	-4.0298692087	 0.112782
+H	 1.6887081479	 1.7826235692	-4.3570461164	 0.13095
+H	 3.0466465475	 2.5298662946	-3.5394132834	 0.135722
+H	 0.130242877	 2.0653144713	 0.6846309592	 0.134494
+H	-0.5226978341	-0.1169651022	-0.9325607611	 0.292965
+H	 1.8200317436	-0.4897707161	 0.3868475683	 0.078114
+19
+0 5865	4.2113211	0.5454653	0.5076945	2.6401	84.24	-0.24581	-0.0287	0.21711	2173.7556	0.152687	-422.516465	-422.505286	-422.504342	-422.55578	36.609
+C	 5.6026103203	-1.2383359811	 4.1287923635	-0.219953
+O	 4.6693330462	-0.805871856	 3.1655639264	-0.228333
+C	 3.70104252	-1.7972011476	 2.8841910181	-0.200373
+C	 2.7581558841	-1.3100041822	 1.8861350783	-0.019822
+C	 1.95608514	-0.924113971	 1.07514806	 0.150724
+C	 1.0247289635	-0.4653948375	 0.0508519658	-0.219051
+C	 1.1227686063	 1.0634206265	-0.1724485957	-0.39712
+C	 1.327316724	-1.1750354618	-1.2727908863	 0.17193
+O	 0.4973753398	-1.7060780443	-1.9590494514	-0.241994
+H	 6.1567954633	-2.1288885675	 3.7916766492	 0.106342
+H	 6.3087252437	-0.4198268652	 4.283750953	 0.132708
+H	 5.1189195799	-1.4790836099	 5.0889627528	 0.106292
+H	 4.1879444166	-2.7183015013	 2.517930724	 0.116986
+H	 3.1568559452	-2.0771760762	 3.8034863503	 0.117513
+H	-0.004163216	-0.7271038189	 0.3218491931	 0.124754
+H	 0.9338789381	 1.5909215373	 0.7651473049	 0.141104
+H	 2.1215033532	 1.3412780358	-0.5217406224	 0.135933
+H	 0.3868053586	 1.3832110592	-0.9151563797	 0.133469
+H	 2.4008940232	-1.1393754583	-1.5643920739	 0.088892
+19
+0 5866	4.5256564	0.5652206	0.5362012	2.7377	82.55	-0.24647	0.0303	0.27677	2062.9242	0.154009	-422.503738	-422.493246	-422.492302	-422.541781	36.249
+C	-0.0696371676	-0.1044763507	 0.2093205605	-0.46647
+C	 1.3982228641	 0.171460093	-0.044275234	 0.224717
+C	 2.0724286938	 1.291105971	 0.6467957726	-0.210067
+O	 2.2626700527	-0.0473665092	 1.0907752099	-0.258085
+C	 1.9151380145	-0.2818181395	-1.3151676284	 0.05353
+C	 2.3029751878	-0.6885355762	-2.3812473031	 0.083131
+C	 2.8108485055	-1.1250152985	-3.6745430636	-0.36436
+C	 3.5253972904	 0.0054500738	-4.4438414163	-0.054851
+O	 4.0507289468	-0.4430194739	-5.6779926151	-0.40718
+H	-0.3570180896	 0.266491595	 1.1961939744	 0.127564
+H	-0.6890382778	 0.3820059846	-0.5502685493	 0.129101
+H	-0.2655017979	-1.1799173335	 0.1694346005	 0.136754
+H	 2.9381333466	 1.7612067804	 0.1837487776	 0.118156
+H	 1.4877067122	 1.930582158	 1.3080214306	 0.113089
+H	 3.5141327315	-1.9569539032	-3.548215089	 0.144104
+H	 1.9838902013	-1.5092884021	-4.2881852467	 0.119137
+H	 2.8388189519	 0.8548473035	-4.5716065729	 0.10022
+H	 4.3785118212	 0.3596561292	-3.8582540111	 0.126969
+H	 3.3128100227	-0.6343488015	-6.2655399066	 0.284539
+19
+0 5867	4.6805668	0.5830344	0.5543537	1.8505	83.89	-0.25234	0.01981	0.27215	2047.7511	0.153273	-422.483763	-422.473243	-422.472299	-422.521084	35.83
+C	 4.8278809126	-0.6898619838	-5.1242915706	-0.219109
+O	 4.2127350981	-0.2640987645	-3.9302826774	-0.228004
+C	 3.1781200245	-1.1399569012	-3.5267245813	-0.206833
+C	 2.5739744348	-0.6704558909	-2.2878855036	 0.043271
+C	 2.0715912271	-0.3064292601	-1.2560559132	 0.117065
+C	 1.4346629141	 0.144652342	-0.0409903891	 0.211665
+C	-0.0575420373	 0.390648686	-0.124447846	-0.467339
+C	 2.2518625104	 0.8549570375	 0.9659472668	-0.207798
+O	 1.8793821621	-0.5028844239	 1.1697475443	-0.257797
+H	 5.2869931629	-1.685568083	-5.0164158663	 0.106319
+H	 4.1129591462	-0.7313093827	-5.9617154285	 0.105154
+H	 5.6086275041	 0.0359729717	-5.3614235921	 0.132187
+H	 2.4062899143	-1.2124725538	-4.3133198169	 0.11557
+H	 3.5721027682	-2.1613114121	-3.3810896377	 0.119781
+H	-0.4384562626	 0.7189758617	 0.8456604866	 0.128333
+H	-0.2790828144	 1.155884172	-0.8743648155	 0.132388
+H	-0.5785508609	-0.527440801	-0.4113646522	 0.13612
+H	 3.3078550244	 1.0299524448	 0.7695250133	 0.124585
+H	 1.7656982515	 1.5821637909	 1.6160360995	 0.114442
+19
+0 5868	4.7734278	0.5736831	0.5569674	2.3516	84.69	-0.23798	0.03097	0.26895	1989.4139	0.153747	-422.487233	-422.476822	-422.475878	-422.524255	36.209
+C	-4.6738026329	 0.9836315187	-1.1924836499	-0.218476
+O	-3.519072363	 1.1115394997	-0.3963806302	-0.225634
+C	-2.5476581698	 0.13175487	-0.7106976296	-0.203025
+C	-1.3686629346	 0.2939003909	 0.1261233354	-0.067461
+C	-0.3886168498	 0.41141052	 0.8177875119	 0.17491
+C	 0.8088986763	 0.5546291131	 1.6022076582	 0.223904
+O	 1.7873340769	 1.4137548106	 1.0745199154	-0.44276
+C	 1.2953210427	-0.6302952068	 2.4257410783	-0.312696
+C	 0.7236196482	 0.5866180582	 3.1063842008	-0.287513
+H	-5.3656223189	 1.7715137703	-0.8869166508	 0.131802
+H	-4.4487755543	 1.1030166584	-2.2646571082	 0.104119
+H	-5.162833311	 0.0059183861	-1.0529771886	 0.103697
+H	-2.9665663692	-0.8809686657	-0.5719528667	 0.113907
+H	-2.2599801385	 0.204909776	-1.7747374957	 0.113608
+H	 2.0407524415	 1.0690013717	 0.2108551213	 0.284015
+H	 0.709801961	-1.5418819793	 2.4072355592	 0.122997
+H	 2.3707091856	-0.7628425919	 2.4590797518	 0.121837
+H	-0.257979661	 0.5208681867	 3.5588289	 0.130717
+H	 1.4172247909	 1.2643340131	 3.5902904074	 0.132052
+19
+0 5869	4.6325243	0.553846	0.5400709	2.1398	83.12	-0.23109	0.03885	0.26994	2067.23	0.154542	-422.507279	-422.496927	-422.495982	-422.544104	36.649
+O	-3.6619190991	 2.2184230439	-2.336158491	-0.408288
+C	-2.5863267123	 2.1160329878	-1.4223245103	-0.05423
+C	-2.3110027918	 0.6543322838	-1.0141476425	-0.360191
+C	-1.1773225987	 0.5252678927	-0.1085133051	-0.019168
+C	-0.2352394707	 0.4768369679	 0.6430149765	 0.106532
+C	 0.9160768469	 0.3680114792	 1.5021173945	 0.233157
+O	 2.1601546509	 0.3480423125	 0.8481607392	-0.44424
+C	 0.8012646876	-0.4204623871	 2.7982569031	-0.312635
+C	 0.9438145275	 1.0808545969	 2.8286992215	-0.289643
+H	-4.4734454289	 1.9979984486	-1.8680242861	 0.283785
+H	-1.7091159313	 2.5212921666	-1.9345008969	 0.127237
+H	-2.7505781649	 2.7249224138	-0.5216292005	 0.100257
+H	-3.2124997104	 0.2383970678	-0.5418420013	 0.1175
+H	-2.1442069882	 0.0663880131	-1.9250167853	 0.138053
+H	 2.1608987916	-0.410120835	 0.2528703165	 0.283877
+H	-0.1577783129	-0.8590011835	 3.047597641	 0.121488
+H	 1.6709581792	-1.0098383865	 3.0656146887	 0.121109
+H	 0.0848061113	 1.6823103759	 3.0995468635	 0.124805
+H	 1.9069071642	 1.4880197417	 3.1138951045	 0.130595
+19
+0 5870	8.0925286	0.4601546	0.4522205	1.3855	84.5	-0.24489	0.02677	0.27166	2404.5113	0.154247	-422.503492	-422.492972	-422.492028	-422.541042	35.976
+C	 0.1240002262	 0.3872866772	 0.413755088	-0.419166
+C	 1.2052755197	-0.6392280367	 0.2013780348	 0.093783
+O	 2.5545372675	-0.1868796424	 0.2870409066	-0.243535
+C	 2.0726887804	-0.6325418393	-0.9967396772	-0.168764
+C	 2.6399524502	-1.8348937689	-1.5429837825	 0.086021
+C	 3.1069068093	-2.8394194871	-2.0177961602	 0.103107
+C	 3.7145215024	-4.022569552	-2.6103641639	-0.362221
+C	 4.9198569095	-3.6822487744	-3.5116535525	-0.055958
+O	 5.4728933241	-4.836927671	-4.1131003194	-0.407839
+H	 0.0249193461	 0.6224007734	 1.478646156	 0.132548
+H	 0.3561160766	 1.3127663457	-0.1199939952	 0.128818
+H	-0.8409279282	 0.0084759695	 0.0607012267	 0.126276
+H	 1.0392414778	-1.609361801	 0.6718165083	 0.0988
+H	 1.9258844736	 0.1792634427	-1.7095254632	 0.109876
+H	 4.0431714557	-4.7060430267	-1.8149690982	 0.122372
+H	 2.9795486495	-4.5751755482	-3.2081439824	 0.140264
+H	 4.5895819408	-3.037875594	-4.3314160468	 0.12535
+H	 5.6656894705	-3.1202640006	-2.9318409882	 0.105288
+H	 5.9080289984	-5.352431186	-3.4266523205	 0.284982
+19
+0 5871	7.0528112	0.4883212	0.4732416	1.3327	85.41	-0.23873	0.03384	0.27257	2309.5357	0.154034	-422.48693	-422.476443	-422.475499	-422.524363	35.915
+C	 4.682430626	 0.1838709194	 0.6389574475	-0.217609
+O	 3.4711462593	 0.6051438023	 1.2197424923	-0.22742
+C	 2.3504242791	 0.2287011385	 0.4395295988	-0.204442
+C	 1.1178624075	 0.6806517088	 1.0667274496	 0.018777
+C	 0.0821983188	 1.0432598274	 1.5646929724	 0.141538
+C	-1.1440695544	 1.4778637906	 2.1619667177	-0.209447
+C	-1.3836035685	 1.292738169	 3.6631967025	-0.313143
+C	-2.1531021829	 0.4738361348	 2.6712730199	 0.110762
+O	-3.4869680429	 0.7855683667	 2.4061340968	-0.42151
+H	 4.8364401641	 0.6270854289	-0.3582461196	 0.103584
+H	 5.4890003715	 0.5110558976	 1.2988928987	 0.129603
+H	 4.7296071846	-0.9124531346	 0.5355311524	 0.102666
+H	 2.4307732043	 0.6571652694	-0.5753688847	 0.1135
+H	 2.3273038495	-0.8683637309	 0.3120510191	 0.111163
+H	-1.5953275308	 2.3703778152	 1.7387272881	 0.122182
+H	-0.6009456562	 0.8147321576	 4.2401869018	 0.128411
+H	-1.9142839198	 2.0959224018	 4.1618800177	 0.120449
+H	-1.8859601251	-0.5766624961	 2.5661472132	 0.101119
+H	-4.0145016641	 0.4975650536	 3.1589631558	 0.289818
+19
+0 5872	5.6050281	0.5101067	0.4887702	1.6411	85.42	-0.25211	0.01738	0.26949	2287.2169	0.153484	-422.483407	-422.472835	-422.471891	-422.521086	35.55
+C	-2.2088403754	-6.1489031515	-3.2186609302	-0.21929
+O	-1.5944431129	-5.0306382274	-2.6209499035	-0.228025
+C	-0.8329239282	-5.3890992978	-1.4843439065	-0.205511
+C	-0.2217202815	-4.207929654	-0.892700628	 0.065633
+C	 0.287053648	-3.2433714787	-0.3820336411	 0.145238
+C	 0.9162444786	-2.0970268461	 0.2122847514	-0.178152
+O	 0.2633031644	-1.4810619998	 1.3399043202	-0.24151
+C	 0.3239991434	-0.7441609969	 0.1216990698	 0.095455
+C	 1.1711256642	 0.5007078766	 0.1129235633	-0.420133
+H	-2.9019604936	-6.6545138447	-2.5274203314	 0.10629
+H	-2.7720709918	-5.7848218584	-4.080561814	 0.132165
+H	-1.4683869105	-6.8885646463	-3.5631540222	 0.105256
+H	-1.4709625383	-5.8889902742	-0.7342510839	 0.119918
+H	-0.0475680428	-6.1151173589	-1.7596855694	 0.116566
+H	 1.9992498561	-2.1601329278	 0.3185518737	 0.111181
+H	-0.6347537324	-0.6715218543	-0.3931963317	 0.104932
+H	 2.1243613803	 0.3274814378	 0.6194951689	 0.1287
+H	 1.3701142635	 0.8225590013	-0.9146491388	 0.127958
+H	 0.6534922288	 1.3169280612	 0.6275959233	 0.13333
+19
+0 5873	6.666871	0.4751302	0.4602094	2.613	83.79	-0.23097	0.04802	0.27899	2322.4331	0.154836	-422.506583	-422.496177	-422.495233	-422.543758	36.33
+O	 4.2678164723	 2.0053257526	-0.5150427674	-0.409399
+C	 2.9287822578	 2.013330186	-0.0564289556	-0.052528
+C	 2.5251949907	 0.6694339242	 0.5827294301	-0.358905
+C	 1.1361824625	 0.6505757506	 1.022048142	 0.056891
+C	-0.018625997	 0.6778746392	 1.3681002856	 0.085843
+C	-1.3917294691	 0.6912989335	 1.7788522033	-0.202722
+C	-2.0090482023	 1.9426550007	 2.4086412998	-0.315803
+C	-1.7631612238	 0.7199533796	 3.2426412705	 0.111289
+O	-2.8363398515	-0.0960989503	 3.6023827258	-0.421323
+H	 4.8452349179	 1.9590522111	 0.2536280355	 0.283037
+H	 2.7427972048	 2.8300906902	 0.6563167814	 0.096817
+H	 2.3055358984	 2.1994526736	-0.9356847698	 0.124636
+H	 2.7085300338	-0.1287819987	-0.1469055576	 0.137698
+H	 3.1912307122	 0.465989421	 1.433824305	 0.114002
+H	-2.0773238732	 0.1085657331	 1.1705481289	 0.121256
+H	-1.3681318652	 2.8055830263	 2.5464065208	 0.121943
+H	-3.0360383168	 2.1577141507	 2.1353969222	 0.119164
+H	-0.9368731234	 0.7491725348	 3.9515592653	 0.098901
+H	-3.3363263981	 0.3565220119	 4.2902170845	 0.289204
+19
+0 5874	5.2216797	0.5556055	0.5412097	1.5693	83.62	-0.24736	0.02266	0.27002	2098.7215	0.155015	-422.477744	-422.467643	-422.466699	-422.515361	33.654
+C	 3.626450937	-4.6939385209	 1.0556197012	-0.219085
+O	 2.8358370407	-3.5794331	 0.712921776	-0.228069
+C	 3.5658285602	-2.6187005057	-0.0252219022	-0.20269
+C	 2.7190886089	-1.4804232736	-0.3504070946	-0.002183
+C	 2.0405220977	-0.5243608403	-0.6256291383	 0.174952
+C	 1.2028485867	 0.6127897156	-0.9591220519	-0.037879
+C	-0.3353531001	 0.4325163198	-0.819481077	-0.284642
+C	-0.2390983413	 1.6035158268	 0.1761924521	-0.058581
+O	 1.1980581398	 1.6596757428	 0.0481499307	-0.278406
+H	 2.989474762	-5.3809678877	 1.6168638404	 0.131631
+H	 4.0121903042	-5.2133972714	 0.1636677989	 0.104681
+H	 4.4854407896	-4.4099820993	 1.6844793451	 0.106074
+H	 4.4415960888	-2.2724856828	 0.5517023281	 0.119616
+H	 3.9617725717	-3.0668918987	-0.9537683159	 0.11541
+H	 1.5075939038	 1.0233267862	-1.9314594024	 0.101604
+H	-0.9073530652	 0.6149932922	-1.7296311049	 0.115381
+H	-0.6297627007	-0.522046336	-0.3843710958	 0.129099
+H	-0.7130108422	 2.5377991292	-0.1493497725	 0.102333
+H	-0.5478673717	 1.3876623937	 1.2052706131	 0.110753
+19
+0 5875	5.2440923	0.5382151	0.5289795	2.6227	83.18	-0.24893	0.02866	0.27759	2130.6239	0.15517	-422.477624	-422.467572	-422.466627	-422.515168	33.589
+C	-2.5971071146	 2.2015496135	-5.6442083535	-0.218873
+O	-1.9043741526	 1.8360418684	-4.4733200393	-0.227674
+C	-2.3050486147	 2.6089011117	-3.3581997128	-0.202173
+C	-1.5670186984	 2.2006679896	-2.1708801318	-0.002734
+C	-0.9703626075	 1.8820183344	-1.1744310992	 0.160319
+C	-0.2374589049	 1.4766207536	 0.004399844	-0.218391
+C	 1.3116315489	 1.3562437118	-0.0724951657	-0.07396
+O	 1.2744920377	 0.0346792695	 0.4962691809	-0.268249
+C	-0.1567665945	-0.035165798	 0.3621382307	-0.073953
+H	-2.2307285153	 1.5611213037	-6.4493888039	 0.13215
+H	-3.6843991999	 2.0566339632	-5.5393981321	 0.104911
+H	-2.4171086122	 3.2542893314	-5.9153832655	 0.104918
+H	-2.1336323062	 3.6823992527	-3.553899414	 0.11446
+H	-3.3894193939	 2.4945340174	-3.1817722453	 0.114467
+H	-0.5458787801	 2.0718782089	 0.8686399738	 0.111891
+H	 1.6993232313	 1.3563972259	-1.0986591241	 0.112284
+H	 1.888977992	 2.0565877961	 0.5402174465	 0.109163
+H	-0.4658117416	-0.6950397671	-0.4578141636	 0.112284
+H	-0.6467095735	-0.3461603968	 1.2908148349	 0.109159
+19
+0 5876	4.8459729	0.5416149	0.529352	0.632	82.28	-0.24494	0.02549	0.27043	2025.6871	0.155714	-422.497853	-422.48778	-422.486835	-422.536036	34.094
+O	 3.6852197145	-5.0151432129	-0.5551716335	-0.408467
+C	 2.8943778138	-3.8434658496	-0.500077925	-0.055392
+C	 3.7358144376	-2.5676919039	-0.7088150825	-0.359791
+C	 2.929253281	-1.3552731702	-0.695056335	 0.043399
+C	 2.2219566444	-0.3796897446	-0.6701426771	 0.114648
+C	 1.385383703	 0.8063935601	-0.653413621	-0.033599
+C	-0.0167501913	 0.7197656244	-1.3194847498	-0.283594
+C	-0.5446080963	 1.1267559537	 0.0685143766	-0.058622
+O	 0.7802717999	 1.0815315089	 0.6400000941	-0.279862
+H	 4.2441739741	-5.0352474499	 0.2280880586	 0.284806
+H	 2.1610277427	-3.9308562337	-1.306947401	 0.123321
+H	 2.3365936422	-3.765512402	 0.4440475998	 0.104371
+H	 4.5025266067	-2.5112538312	 0.076762949	 0.121947
+H	 4.2752990289	-2.6588726837	-1.6593309165	 0.139901
+H	 1.9682695516	 1.6750186826	-0.989877062	 0.100076
+H	-0.1918977353	 1.4225668039	-2.1345879056	 0.114767
+H	-0.2887664414	-0.2867186047	-1.6368546553	 0.121743
+H	-0.9788157488	 2.1328286506	 0.126738586	 0.101877
+H	-1.2237496174	 0.4187087422	 0.5568518103	 0.108471
+19
+0 5877	7.4267377	0.4805053	0.4741951	1.4284	82.12	-0.24821	0.0413	0.28951	2138.8564	0.155865	-422.497665	-422.48761	-422.486666	-422.53591	34.016
+O	-2.9788580814	 4.519790627	-4.728673729	-0.408003
+C	-2.3557864801	 4.1226908476	-3.5223487271	-0.054439
+C	-1.7704508277	 2.6985772252	-3.6144419233	-0.357632
+C	-1.1662231764	 2.2605920875	-2.3630136655	 0.039387
+C	-0.6814369643	 1.9437005743	-1.3057438182	 0.097783
+C	-0.0878042401	 1.5270067922	-0.0537302395	-0.211736
+C	 1.4104612711	 1.1089705251	-0.0295439435	-0.073055
+O	 1.0965831209	-0.1234040645	 0.6439579243	-0.268361
+C	-0.315252579	 0.0698493703	 0.4416556604	-0.073065
+H	-2.2936406265	 4.6383894208	-5.3940625286	 0.284349
+H	-1.5679447363	 4.8251040531	-3.2140497519	 0.100385
+H	-3.1337209335	 4.1465975682	-2.7538758611	 0.12508
+H	-2.5726081459	 2.0141761783	-3.9161369197	 0.139063
+H	-1.0226987777	 2.6713575765	-4.4198000428	 0.117747
+H	-0.3078057817	 2.2505844143	 0.7365958693	 0.10977
+H	 1.8346486566	 0.9409686426	-1.0273594498	 0.106859
+H	 2.0864099229	 1.7416476479	 0.5555495316	 0.108612
+H	-0.7197530602	-0.5970615293	-0.3298301203	 0.108074
+H	-0.8877144107	-0.0490723969	 1.3676784647	 0.109182
+19
+0 5878	4.155908	0.5204916	0.503745	2.6937	81.76	-0.2385	-0.01502	0.22347999999999998	2177.076	0.153241	-422.54547	-422.534361	-422.533416	-422.584454	37.193
+C	-0.0792016468	-1.1139619886	-4.2161061103	-0.472002
+C	-0.7684989967	-2.1793902257	-3.3927042029	 0.394041
+O	-1.789313422	-2.7196240958	-3.7407807235	-0.287676
+C	-0.0877152251	-2.6062776155	-2.073685205	-0.445008
+C	 0.5931115487	-1.5491966391	-1.3398226238	 0.08018
+C	 1.1592082459	-0.6714982178	-0.7389743304	 0.039567
+C	 1.7946429347	 0.4107645914	 0.0017661739	-0.356704
+C	 0.7771704681	 1.4374810392	 0.5406046888	-0.054884
+O	 1.4104756512	 2.5071484086	 1.2152466787	-0.407589
+H	-0.0977555572	-0.1624128634	-3.6751581062	 0.154864
+H	 0.9768015886	-1.3641497301	-4.3653448601	 0.140022
+H	-0.5835570331	-1.0074834547	-5.1767670726	 0.140809
+H	-0.8549776618	-3.0943562715	-1.4646496632	 0.153327
+H	 0.6333842954	-3.3914957156	-2.3483905946	 0.152366
+H	 2.3667437032	-0.0009896115	 0.8451402258	 0.119593
+H	 2.5173779375	 0.9401234963	-0.6308846342	 0.138016
+H	 0.2326197676	 1.8833351468	-0.2967876438	 0.123334
+H	 0.0398617215	 0.9265710549	 1.1763227408	 0.102767
+H	 1.7764174602	 2.167360732	 2.0380198724	 0.284977
+19
+0 5879	4.0281978	0.5839513	0.5304939	3.384	82.86	-0.24108	-0.01449	0.22658999999999999	1994.226	0.152442	-422.525955	-422.514754	-422.513809	-422.565684	36.759
+C	 2.9978637907	-4.1081174039	-2.6370704077	-0.219899
+O	 2.6464314842	-2.8915944771	-2.0185775073	-0.229992
+C	 1.405510911	-2.9784613925	-1.34339303	-0.200562
+C	 1.0880337246	-1.6967370028	-0.7278694212	 0.011956
+C	 0.8200554732	-0.6403880435	-0.2171210139	 0.12372
+C	 0.532466566	 0.6575006138	 0.3733990576	-0.448134
+C	 1.6046778588	 1.745430663	 0.1275536305	 0.394887
+C	 3.0486151266	 1.2994599226	 0.0938186664	-0.475861
+O	 1.2663739975	 2.8968662232	 0.0095308679	-0.287097
+H	 3.0994914139	-4.9255493455	-1.9053950032	 0.105881
+H	 2.2553073332	-4.4137093981	-3.3913338487	 0.10678
+H	 3.9598389095	-3.9531881903	-3.1302928315	 0.132378
+H	 0.6040642474	-3.2652815236	-2.0467812376	 0.116338
+H	 1.4423765785	-3.7686543571	-0.5728478571	 0.11445
+H	-0.4196000756	 1.0644178509	 0.019352322	 0.154905
+H	 0.4440870791	 0.5619168996	 1.4662372203	 0.152249
+H	 3.2900797612	 0.717135659	 0.9900915773	 0.14032
+H	 3.2111997817	 0.6321839137	-0.7586637633	 0.1681
+H	 3.7008478784	 2.1700825985	 0.0222192895	 0.139579
+19
+0 5880	7.034207	0.4744772	0.4657149	0.794	83.27	-0.2456	0.0371	0.2827	2364.7229	0.154064	-422.478674	-422.468275	-422.46733	-422.516941	34.703
+C	 6.5793674917	-1.1738582968	-3.989277307	-0.218144
+O	 5.7203319804	-0.9224358497	-2.9020946826	-0.228602
+C	 4.3821965965	-0.7254764412	-3.3191996205	-0.202537
+C	 3.5269597442	-0.4726321518	-2.1681433369	 0.023613
+C	 2.7952830011	-0.2684985259	-1.2351255834	 0.129942
+C	 1.9262989302	 0.0085850512	-0.0965168718	-0.384028
+C	 1.5887346345	 1.4829074021	 0.0489964128	 0.109597
+C	 0.3325973105	 1.9216386027	 0.6660250394	-0.181414
+O	 0.5174598815	 1.975679101	-0.7506150291	-0.225085
+H	 7.5836836955	-1.3117656766	-3.5827125524	 0.130265
+H	 6.2895749508	-2.0836108993	-4.5395445307	 0.10418
+H	 6.5957276663	-0.3340512292	-4.7025956935	 0.104562
+H	 4.3211529498	 0.1232931906	-4.0230896693	 0.115614
+H	 4.0178140654	-1.6119392354	-3.8680330127	 0.113749
+H	 0.9903099034	-0.5559589422	-0.1867003861	 0.136209
+H	 2.4147483027	-0.3341430292	 0.8260467566	 0.13704
+H	 2.4519122106	 2.1470908507	 0.0994325753	 0.104375
+H	-0.3828840346	 1.177503129	 1.0149823779	 0.113519
+H	 0.2827109792	 2.88464317	 1.171817054	 0.117146
+19
+0 5881	4.2811233	0.5325221	0.4870161	2.0094	81.7	-0.24562	0.04859	0.29421	2206.5683	0.154831	-422.498692	-422.488345	-422.487401	-422.536932	35.144
+O	 1.5337090049	 0.7958749835	 0.1533678635	-0.409522
+C	 0.4011311274	 0.0213222184	 0.5004819128	-0.054874
+C	-0.1837384024	 0.4322870036	 1.8672441838	-0.356131
+C	-1.3741326246	-0.3328991642	 2.2146741769	 0.057636
+C	-2.3485004752	-0.9950256044	 2.4643290998	 0.077645
+C	-3.5393427677	-1.7893256144	 2.7504839632	-0.380683
+C	-4.0972698401	-2.4801879224	 1.5173050923	 0.112005
+C	-4.8322822546	-3.7456715466	 1.6153004529	-0.181766
+O	-3.484572326	-3.709663993	 1.1395272438	-0.225187
+H	 2.2550739747	 0.5486030469	 0.7405110887	 0.283758
+H	-0.3425552687	 0.1993982563	-0.2815299101	 0.123858
+H	 0.6221989736	-1.0554224945	 0.5035555821	 0.105059
+H	 0.5862911472	 0.2946365656	 2.6396040729	 0.116455
+H	-0.404691201	 1.5061733557	 1.8398115445	 0.135099
+H	-3.316068971	-2.5545058256	 3.5039475733	 0.13368
+H	-4.3225280451	-1.1459681441	 3.1751180909	 0.131328
+H	-4.3184049528	-1.8158760604	 0.6813158572	 0.101538
+H	-4.9703993539	-4.2122196945	 2.5902522369	 0.113341
+H	-5.5878316445	-3.9946575058	 0.8717123345	 0.11676
+19
+0 5882	8.4115185	0.4246824	0.4209037	2.6576	84.03	-0.25767	0.0067	0.26437	2583.1186	0.154398	-422.551259	-422.540538	-422.539594	-422.590307	35.403
+C	 0.6471417168	-0.5998514457	-0.9020187828	-0.382385
+C	 0.7330352225	 0.3703512036	 0.2775953599	-0.1563
+C	 1.9059360429	 1.3616748468	 0.1349055603	-0.339535
+C	 2.0129805627	 2.2994007238	 1.2458630123	 0.099361
+C	 2.0779625544	 3.065570264	 2.1720459353	 0.056631
+C	 2.1894206428	 3.9657205425	 3.3030738005	-0.227989
+O	 1.4362751641	 5.1753523236	 3.0212516073	-0.200465
+C	 1.4588973666	 6.0896532376	 3.997845557	 0.193754
+O	 2.0326677229	 5.987912415	 5.0479983986	-0.29975
+H	-0.1899343476	-1.2937679102	-0.7816405641	 0.117227
+H	 0.5028976848	-0.0648930702	-1.8473472231	 0.117381
+H	 1.5624995498	-1.1949681225	-0.994986482	 0.116958
+H	-0.1997499194	 0.9375733076	 0.3696299993	 0.112127
+H	 0.8506520923	-0.1842278413	 1.2152247298	 0.11024
+H	 2.8469601403	 0.8030343558	 0.040039189	 0.130144
+H	 1.7970018119	 1.9240156636	-0.8023265958	 0.132144
+H	 1.7960916485	 3.5162719315	 4.2211897452	 0.151765
+H	 3.2305545983	 4.241918927	 3.501831472	 0.152156
+H	 0.8614256856	 6.9586203475	 3.6814628314	 0.116536
+19
+0 5883	8.1967457	0.4005165	0.3959492	2.7456	84.49	-0.24682	-0.02767	0.21915	2691.4819	0.152957	-422.514095	-422.503009	-422.502065	-422.553532	35.906
+C	-2.1640906534	 5.6897799388	-5.4419143255	-0.218955
+O	-1.6742436531	 4.9744431257	-4.3315195333	-0.228441
+C	-2.5979222404	 4.0039317165	-3.8773339398	-0.202392
+C	-2.0540851146	 3.2917468029	-2.7288162053	 0.057644
+C	-1.6271405995	 2.6989201055	-1.7725955008	 0.101303
+C	-1.0874820536	 1.9648303958	-0.6361075297	-0.369015
+C	-0.2513635586	 0.7338250031	-1.0591929304	-0.261329
+C	 0.4007687728	 0.0646488706	 0.1298043988	 0.155307
+O	 0.328187263	-1.1081541117	 0.387976038	-0.231502
+H	-2.3664978496	 5.0281252666	-6.2994558922	 0.105247
+H	-3.0922427585	 6.2332610121	-5.2025933165	 0.105338
+H	-1.3950572084	 6.4113610867	-5.7258995843	 0.131806
+H	-3.5538984445	 4.4831780673	-3.6012193949	 0.114923
+H	-2.8307408379	 3.288136927	-4.6855694688	 0.114233
+H	-0.4656375619	 2.636928584	-0.0295147334	 0.138555
+H	-1.9080769004	 1.6404447844	 0.0164668625	 0.144056
+H	-0.8610531271	 0.0020784062	-1.5940199875	 0.133957
+H	 0.5479371615	 1.0706282537	-1.7329536113	 0.137082
+H	 0.9837242843	 0.7590329748	 0.7816358243	 0.072184
+19
+0 5884	8.5412773	0.3818528	0.379867	1.6689	83.36	-0.24806	-0.02798	0.22008	2751.2487	0.153754	-422.533935	-422.522913	-422.521969	-422.573014	36.319
+O	 1.6860567946	 0.6958553054	 0.2841001635	-0.407906
+C	 0.7087127074	-0.1963532865	 0.7837507683	-0.05469
+C	-0.5143551341	 0.5476668266	 1.3583610117	-0.357388
+C	-1.5467016326	-0.3630200184	 1.8365890621	 0.095179
+C	-2.3721198355	-1.1570287571	 2.2096979166	 0.045141
+C	-3.3809719147	-2.0903061696	 2.6948231187	-0.364692
+C	-3.8074164877	-1.8017454379	 4.1537500485	-0.260135
+C	-4.9331369726	-2.7079069314	 4.5989809667	 0.15633
+O	-4.9366686191	-3.3589551505	 5.6106992772	-0.232073
+H	 2.0801393368	 1.1566040276	 1.0316039579	 0.284461
+H	 0.3939576541	-0.8116329651	-0.0639641268	 0.125199
+H	 1.1192206661	-0.8734303523	 1.5466713017	 0.100915
+H	-0.1817323309	 1.1986137908	 2.1793101162	 0.117338
+H	-0.9120256926	 1.2107884739	 0.5806821583	 0.137957
+H	-4.265769823	-2.052112746	 2.0449410893	 0.133597
+H	-2.999392635	-3.1171772338	 2.6265933951	 0.141949
+H	-2.9671168957	-1.9067237057	 4.8437495908	 0.133458
+H	-4.1697220613	-0.766453806	 4.2130114104	 0.133817
+H	-5.8031369442	-2.7330834139	 3.8993756538	 0.071541
+19
+0 5885	2.0494407	0.7759497	0.5868037	4.5578	83.51	-0.25145	-0.05088	0.20057	1893.8029	0.153939	-422.539948	-422.528878	-422.527934	-422.578921	36.811
+C	-0.0950532812	-0.1375686617	 0.0801482483	-0.369763
+C	 1.4409463554	-0.1045625571	-0.0110755843	-0.321194
+C	 1.9941449596	 1.2415650336	-0.0644408164	 0.051087
+C	 2.4526184325	 2.3586556852	-0.1084469596	 0.049486
+C	 3.0099949908	 3.6969072652	-0.1598537115	 0.225618
+O	 4.2077075142	 3.888948294	-0.196443413	-0.282483
+C	 1.99781254	 4.8308671622	-0.1906131232	-0.308065
+C	 1.2421216969	 4.8967863675	-1.5322370478	-0.06205
+O	 0.3127068579	 5.9631806134	-1.5725453008	-0.409571
+H	-0.4427230345	 0.3779406491	 0.979269357	 0.131792
+H	-0.547141382	 0.3503422904	-0.7874409939	 0.131797
+H	-0.4492501886	-1.1714903001	 0.1171530666	 0.123879
+H	 1.8788641011	-0.6298566364	 0.8474819741	 0.145765
+H	 1.7756499435	-0.6564434483	-0.8989165247	 0.145755
+H	 1.269340941	 4.6791893456	 0.6168939397	 0.104729
+H	 2.5293456827	 5.7697493043	-0.0196536445	 0.131464
+H	 1.9525551571	 5.0884823225	-2.3423882294	 0.128804
+H	 0.7609631159	 3.9290445978	-1.7364635049	 0.099937
+H	-0.3791751324	 5.7791816428	-0.9290980616	 0.283014
+19
+0 5886	2.5600223	0.7420729	0.5836803	3.0676	84.71	-0.25419	-0.04868	0.20551000000000003	1930.4021	0.153084	-422.521988	-422.51083	-422.509885	-422.561268	36.445
+C	-0.0179137892	-0.1535307428	-0.0077993277	-0.36818
+C	 1.4875828757	-0.0102794968	-0.2947938316	-0.323946
+C	 1.9798037259	 1.3516670767	-0.1516987945	 0.037299
+C	 2.3773285945	 2.4855698607	-0.0299919911	 0.117363
+C	 2.7958410293	 3.8561125858	 0.1298668858	 0.169651
+O	 2.0318161687	 4.7431071994	 0.4494886304	-0.288276
+C	 4.2682158713	 4.1790181756	-0.1203469145	-0.151763
+O	 4.9942131819	 3.0340481801	-0.4706707226	-0.226264
+C	 6.3569269714	 3.3004563787	-0.7091819031	-0.230215
+H	-0.2498185301	 0.1586532821	 1.0136196775	 0.135941
+H	-0.6040852134	 0.4658095696	-0.6914337684	 0.13592
+H	-0.3284408128	-1.1949768893	-0.1308925619	 0.119209
+H	 2.0619098766	-0.6630511909	 0.375486756	 0.142775
+H	 1.7114564946	-0.3592429298	-1.3113281204	 0.142735
+H	 4.304585731	 4.9474934311	-0.9112934519	 0.11966
+H	 4.6601419338	 4.6507553589	 0.7967773477	 0.119709
+H	 6.8538407451	 3.7133144446	 0.1827872071	 0.108624
+H	 6.8317967104	 2.3527695529	-0.9728086165	 0.131173
+H	 6.4941412152	 4.0119619133	-1.5386003103	 0.108585
+19
+0 5887	2.764444	0.6508012	0.5452237	3.0472	83.52	-0.25663	-0.05239	0.20424000000000003	2025.2202	0.153813	-422.536972	-422.525902	-422.524958	-422.576038	36.745
+C	 5.4818806072	-1.630229803	-2.9657150592	-0.378131
+C	 4.6706241825	-1.3753500426	-1.6930187097	-0.173744
+C	 4.7955863526	 0.0789112291	-1.199754959	-0.281172
+C	 3.9797173966	 0.3396710299	 0.0537272023	 0.23832
+O	 4.480232234	 0.5727279859	 1.1341406103	-0.284442
+C	 2.5366049363	 0.2821422111	-0.1077655521	 0.042638
+C	 1.3361320864	 0.2506905119	-0.2422515414	 0.032735
+C	-0.1215920965	 0.193575355	-0.3271730662	-0.194063
+O	-0.7825759535	 0.7601441604	 0.789611437	-0.395166
+H	 5.3821382821	-2.6693459813	-3.2937588039	 0.117489
+H	 5.1447247399	-0.9862932237	-3.7853506288	 0.117558
+H	 6.5467248667	-1.4314381331	-2.8042062579	 0.121421
+H	 3.6142532778	-1.6058198007	-1.8729385562	 0.110414
+H	 5.0058353549	-2.0511131543	-0.8971012444	 0.112854
+H	 5.8363113966	 0.3197157205	-0.9636405606	 0.121437
+H	 4.4527804257	 0.7590979759	-1.9903267601	 0.116282
+H	-0.465434716	 0.7578647091	-1.2013751547	 0.150904
+H	-0.4199653289	-0.8549012703	-0.492945456	 0.129532
+H	-0.4090321345	 0.36583319	 1.5850892508	 0.295133
+19
+0 5888	5.2652429	0.5788742	0.5523973	2.0914	85.13	-0.26177	-0.02799	0.23378	2036.5476	0.154339	-422.5585	-422.547737	-422.546793	-422.597151	36.04
+C	 5.8279669565	-2.645559119	 0.5486311429	-0.385862
+C	 5.1051115488	-2.0125116095	 1.7282922804	-0.054356
+O	 3.7429596095	-1.6681534555	 1.3920988464	-0.233125
+C	 3.5659590539	-0.4794766604	 0.7815181625	 0.257368
+O	 4.4539313606	 0.2931492648	 0.5083310809	-0.365879
+C	 2.1702730738	-0.2487039073	 0.500613545	-0.091625
+C	 1.0215147115	 0.0042134364	 0.2369981363	 0.256615
+C	-0.3612708775	 0.324510591	-0.0881553521	-0.331339
+C	-0.5208768823	 1.6740374593	-0.8115622774	-0.368111
+H	 6.8267097323	-2.9695476947	 0.8584190511	 0.120411
+H	 5.2813508102	-3.5187382626	 0.1811597314	 0.127176
+H	 5.9372254897	-1.9258794922	-0.2657391016	 0.146157
+H	 5.00769849	-2.7137369024	 2.5602062251	 0.113183
+H	 5.6228302434	-1.1132227264	 2.0699001053	 0.133098
+H	-0.7748483384	-0.4831167257	-0.705727971	 0.141847
+H	-0.9504229018	 0.3238234966	 0.837935626	 0.142137
+H	-0.1434730228	 2.4928554513	-0.1938248643	 0.136375
+H	 0.0337280539	 1.6779088913	-1.7533270387	 0.136032
+H	-1.5758529514	 1.8622830851	-1.0298692383	 0.119898
+19
+0 5889	2.285359	0.9501074	0.7618629	2.4346	77.58	-0.2434	-0.02258	0.22082000000000002	1534.4231	0.15274	-422.540143	-422.529216	-422.528272	-422.577617	37.817
+C	 0.8632614263	 2.9869808209	 2.9745664924	-0.39335
+C	-0.0961747099	 1.769063503	 2.9844875762	-0.252177
+C	 0.5731967689	 0.5589926365	 3.4453761603	 0.324113
+C	 1.1358131781	-0.4300138761	 3.8341506129	-0.469568
+C	-0.7360690234	 1.6492696082	 1.5801376056	 0.38176
+O	-1.676980489	 2.3559456948	 1.3025161793	-0.308124
+C	-0.1203589696	 0.6871494699	 0.5857407844	-0.324934
+C	-0.7074142102	 0.8145284222	-0.8205333367	-0.063622
+O	-0.0594520019	-0.0411426124	-1.7485177143	-0.41924
+H	 1.2721819694	 3.1499796701	 3.9742356664	 0.135938
+H	 1.6991651379	 2.8214229264	 2.2888827046	 0.131829
+H	 0.3174672026	 3.8799797194	 2.6611129006	 0.14126
+H	-0.9290310741	 2.003853397	 3.657165091	 0.133477
+H	 1.6257982636	-1.3066278293	 4.1797957991	 0.201616
+H	 0.9670111434	 0.8347540861	 0.5622407193	 0.136506
+H	-0.255824011	-0.330059724	 0.9792549391	 0.130948
+H	-1.7917105555	 0.6432717301	-0.7907190337	 0.107098
+H	-0.5601274712	 1.8322181347	-1.1923676298	 0.125125
+H	-0.2756324644	-0.9497201173	-1.5165153067	 0.281347
+19
+0 5890	2.5425864	0.9155702	0.8455723	3.0394	78.82	-0.23859	-0.0305	0.20809	1491.076	0.152648	-422.535574	-422.524494	-422.523549	-422.573062	37.867
+C	 5.1017746985	 3.0929528178	 2.6344112795	-0.382725
+C	 4.8774732296	 1.7928357264	 1.8598083726	-0.166622
+C	 3.4570483477	 1.2239151005	 2.0612216724	-0.264954
+C	 3.2924861803	-0.0956426378	 1.3303884969	 0.367035
+O	 3.6994386764	-1.1438762851	 1.7651517972	-0.304368
+C	 2.5952791967	-0.0533884646	-0.0605219139	-0.094244
+O	 3.0399617643	 1.0633021759	-0.8254410781	-0.417634
+C	 1.1500233125	-0.056355899	 0.1326860108	 0.269152
+C	-0.0360444504	 0.0068571784	 0.3220766514	-0.456444
+H	 4.9635764866	 2.9431611841	 3.7107530702	 0.117944
+H	 6.116097106	 3.472595431	 2.4773051762	 0.117605
+H	 4.4014114746	 3.8728156902	 2.3153166872	 0.113439
+H	 5.0427341417	 1.9573733022	 0.7900024477	 0.120495
+H	 5.6008254826	 1.0349192647	 2.1806609155	 0.118045
+H	 3.2860726039	 1.0325014167	 3.1257330849	 0.123212
+H	 2.7121178618	 1.9493037579	 1.7174223658	 0.092874
+H	 2.90930905	-0.9630165075	-0.5840925147	 0.137672
+H	 2.3530912337	 1.7369357198	-0.8020974752	 0.296846
+H	-1.0869098166	 0.0363288982	 0.4762668336	 0.212671
+19
+0 5891	2.7095398	0.9869749	0.9254461	1.7638	78.12	-0.25697	0.0063	0.26327	1402.0494	0.153533	-422.559121	-422.548461	-422.547517	-422.596184	36.886
+C	 2.0505186993	 4.3624657035	-0.429215833	-0.387381
+C	 1.2561432243	 3.3922835586	 0.4315054791	-0.053842
+O	 1.4759375584	 2.0231190718	 0.0252414185	-0.235128
+C	 2.5463713207	 1.4047143089	 0.5487299606	 0.445227
+O	 3.3308294847	 1.9121047597	 1.3090101497	-0.368884
+C	 2.6665741353	-0.031552221	 0.0229283345	-0.240729
+C	 2.9822924181	-0.021519486	-1.4911560868	-0.39832
+C	 1.4720564037	-0.8165169415	 0.32008282	 0.333627
+C	 0.4986885936	-1.4799367016	 0.5564558296	-0.4775
+H	 1.8136497755	 4.2276644946	-1.4885610308	 0.126322
+H	 1.802891927	 5.3915931735	-0.1501890092	 0.122935
+H	 3.1232222949	 4.2163584194	-0.2828501003	 0.144547
+H	 1.5235376209	 3.4912873945	 1.4859216639	 0.134246
+H	 0.1804020766	 3.5406798579	 0.3137590397	 0.117223
+H	 3.5189392114	-0.4558526219	 0.5628173461	 0.132823
+H	 3.1266019687	-1.0440366796	-1.8471594702	 0.133508
+H	 2.1587582082	 0.4301552545	-2.0472540224	 0.143904
+H	 3.8960077913	 0.5484309614	-1.6832409087	 0.127677
+H	-0.3635425427	-2.0608769765	 0.7723555395	 0.199745
+19
+0 5892	2.0834477	1.2069553	0.9029525	2.4786	78.2	-0.24383	-0.0243	0.21953	1376.7022	0.152324	-422.523588	-422.512685	-422.51174	-422.560565	37.355
+C	 1.3574514082	-0.2239562442	 1.26210905	-0.227304
+O	 0.0051105508	-0.2889973395	 0.8675413919	-0.232847
+C	-0.6121334549	 0.9714569391	 0.8023410213	-0.15221
+C	-2.1129993403	 0.8143147374	 0.5716320428	 0.356274
+O	-2.7440361046	 1.6773860231	 0.0161425589	-0.296863
+C	-2.7710106131	-0.4753460535	 1.1075270904	-0.222791
+C	-4.2384257758	-0.5796074999	 0.6673390221	-0.393527
+C	-2.6201566214	-0.5132213147	 2.5611611776	 0.332955
+C	-2.5258827518	-0.5078565141	 3.759782816	-0.491621
+H	 1.4633405152	 0.2221992922	 2.2626422622	 0.113312
+H	 1.7378283031	-1.2474177498	 1.2860822592	 0.133602
+H	 1.9598524442	 0.3648578868	 0.5537508503	 0.110711
+H	-0.4823430069	 1.5275773194	 1.7473217261	 0.124336
+H	-0.2037681901	 1.5946864912	-0.0069818206	 0.119523
+H	-2.1876279397	-1.3059736984	 0.6894762956	 0.139488
+H	-4.6779183672	-1.5062783917	 1.0432357012	 0.121488
+H	-4.8148245895	 0.2650041932	 1.049309713	 0.140571
+H	-4.3063230548	-0.5690653071	-0.423164054	 0.125886
+H	-2.4387005514	-0.5231153793	 4.8179313661	 0.199017
+19
+0 5893	2.1686876	0.7783897	0.5924628	3.35	80.6	-0.23786	-0.01746	0.22039999999999998	1860.4106	0.152812	-422.545468	-422.5341	-422.533156	-422.585448	37.4
+C	 1.4582285394	-0.4930144247	 0.4192572757	-0.497336
+C	 0.0854967364	-0.1333069516	 0.0927673704	 0.058641
+C	-1.0481107889	 0.1613947029	-0.1870930978	 0.062142
+C	-2.4232201132	 0.5080841633	-0.5166249667	-0.442094
+C	-3.2503127648	 1.1433806835	 0.6199776418	 0.38314
+O	-4.4358608416	 0.9223649158	 0.6954572461	-0.296949
+C	-2.5319661394	 2.0734161167	 1.5766015165	-0.317572
+C	-3.4686406134	 2.7619668495	 2.5696229712	-0.062063
+O	-2.7810765434	 3.6837170315	 3.401281817	-0.419657
+H	 1.5261746964	-0.9525183507	 1.4114439908	 0.148862
+H	 1.860990332	-1.209880261	-0.3046686357	 0.152897
+H	 2.112747991	 0.3854429289	 0.413973213	 0.150005
+H	-2.4374118591	 1.2377593663	-1.3408515234	 0.152759
+H	-2.9878409637	-0.3611390051	-0.869004043	 0.15372
+H	-1.7631165199	 1.4868910853	 2.0982530272	 0.128607
+H	-1.9717609453	 2.8204425335	 0.9987106494	 0.132802
+H	-4.2200750445	 3.3434578787	 2.0287214093	 0.125667
+H	-4.0135238688	 2.0085780082	 3.1542723368	 0.105821
+H	-2.1928058093	 3.1836498591	 3.9756494315	 0.280609
+19
+0 5894	2.5335931	0.8430131	0.6845715	2.0508	80.59	-0.24426	0.01488	0.25914	1627.6257	0.153615	-422.564138	-422.55306	-422.552116	-422.604215	36.42
+C	-4.0280312925	-1.3709129953	 3.4738513001	-0.385378
+C	-4.4227472939	-1.6171153681	 2.0257929211	-0.05414
+O	-3.456028851	-1.0514773242	 1.1130689958	-0.226947
+C	-3.6070184992	 0.2463598915	 0.8113072902	 0.452147
+O	-4.4871772278	 0.9534139593	 1.2327660155	-0.365701
+C	-2.5564486178	 0.7222409232	-0.1935423535	-0.468919
+C	-1.2234700965	 0.1588644656	-0.0363479666	 0.090046
+C	-0.1117441504	-0.2837460312	 0.0874900435	 0.055414
+C	 1.2293755212	-0.8280937237	 0.2417896513	-0.496335
+H	-4.7312976881	-1.880243164	 4.1404609178	 0.120475
+H	-3.0237229377	-1.7552634868	 3.673095761	 0.128695
+H	-4.0509972054	-0.3027935646	 3.7016116939	 0.145591
+H	-4.4275064596	-2.6833910741	 1.7884136484	 0.114682
+H	-5.4046188733	-1.1909422719	 1.8070873191	 0.131782
+H	-2.9542210571	 0.4808545118	-1.1897850619	 0.156312
+H	-2.5417544401	 1.8140664308	-0.1264987209	 0.157208
+H	 1.2290665851	-1.6972459027	 0.9088687795	 0.149156
+H	 1.6420591487	-1.1502420076	-0.7206485327	 0.147986
+H	 1.9154734753	-0.086080398	 0.6648770384	 0.147926
+19
+0 5895	1.7819064	1.0568034	0.7439502	3.0538	80.85	-0.23529	-0.02042	0.21487	1594.0666	0.152603	-422.52786	-422.516564	-422.51562	-422.567002	36.825
+C	-3.7631259809	 0.8877753057	-3.5424665217	-0.226572
+O	-3.8026324654	 0.7437901476	-2.1407752046	-0.231453
+C	-3.5451317356	 1.9436183814	-1.4561580116	-0.151055
+C	-3.4229636782	 1.6777534326	 0.0420607861	 0.365945
+O	-3.7036240071	 2.530381747	 0.8458725431	-0.294277
+C	-2.8993683281	 0.2958208709	 0.4593977654	-0.412232
+C	-1.5374644969	 0.0732049476	-0.0123057343	 0.073814
+C	-0.4047003678	-0.0723043378	-0.3935106683	 0.03753
+C	 0.9644428327	-0.2692586298	-0.8479255332	-0.496049
+H	-2.7753751985	 1.2334733018	-3.884179044	 0.110817
+H	-3.966397299	-0.0940402934	-3.9756779524	 0.132612
+H	-4.5220979217	 1.6001875682	-3.9002932972	 0.110218
+H	-2.5937732127	 2.3949529129	-1.7893564372	 0.120427
+H	-4.3376957101	 2.6907657225	-1.6100190846	 0.118153
+H	-2.9564464698	 0.2473806575	 1.5509078059	 0.141877
+H	-3.5699679206	-0.4620493914	 0.036977603	 0.15504
+H	 1.5824010529	-0.7156223677	-0.0609970453	 0.150565
+H	 1.0056491196	-0.933551466	-1.7182036724	 0.14731
+H	 1.4305644871	 0.6805100107	-1.1329796366	 0.14733
+19
+0 5896	4.4380906	0.6529777	0.6490274	1.4652	78.63	-0.27138	0.01243	0.28381	1822.66	0.153395	-422.55478	-422.544121	-422.543177	-422.593181	36.294
+C	 0.5541890645	-0.6915266063	-0.9958685114	-0.386579
+C	 1.1046392813	 0.5868290634	-0.3597964719	-0.158008
+C	 1.0842400132	 0.5329444844	 1.1682190635	-0.310903
+C	 1.6477464356	 1.7793036634	 1.8154161782	 0.453757
+O	 2.1556808206	 2.7062693853	 1.2397672526	-0.34954
+O	 1.5002428383	 1.716566995	 3.1643256077	-0.243367
+C	 2.0430061403	 2.8229025706	 3.9118259705	-0.221766
+C	 3.4228397792	 2.5830900775	 4.3125322848	 0.326087
+C	 4.5569391597	 2.390667387	 4.6574629448	-0.461338
+H	 1.1406673138	-1.5688032619	-0.700356648	 0.115055
+H	-0.4838611619	-0.8728851829	-0.6951475794	 0.114228
+H	 0.577529214	-0.628974294	-2.0878464272	 0.116996
+H	 2.1310713206	 0.7662810376	-0.6958619289	 0.117034
+H	 0.5258610008	 1.4542238389	-0.6954904536	 0.111452
+H	 0.068225412	 0.3803710367	 1.5521645657	 0.129719
+H	 1.6651408198	-0.3206726839	 1.5413318105	 0.134832
+H	 1.9737875165	 3.7316229087	 3.3078444203	 0.162355
+H	 1.3981880673	 2.9203877525	 4.7893486617	 0.142984
+H	 5.5631325044	 2.225865278	 4.9548060801	 0.207002
+19
+0 5897	5.7781532	0.6136999	0.5895708	1.8117	78.96	-0.26224	0.0118	0.27403999999999995	1900.5306	0.153716	-422.562003	-422.551434	-422.550489	-422.599152	36.314
+C	 2.9746633983	-0.7928010244	-3.5665555589	-0.385902
+C	 3.1835312377	-1.3317777513	-2.1595892161	-0.057915
+O	 1.9378059363	-1.7606864375	-1.5669094507	-0.249369
+C	 1.2028425676	-0.8123828272	-0.9558707201	 0.451943
+O	 1.5191501514	 0.349751181	-0.8780711507	-0.360503
+C	-0.0640327511	-1.4102530811	-0.3780207248	-0.319482
+C	-0.9460862431	-0.347560753	 0.2969647879	-0.352243
+C	-2.1615781001	-0.9189538135	 0.8627076614	 0.282889
+C	-3.1559333005	-1.4148466227	 1.32085514	-0.425662
+H	 2.4758853808	-1.5340501559	-4.1976306253	 0.126373
+H	 2.3717254837	 0.1179697491	-3.5438510889	 0.144453
+H	 3.9425313044	-0.55261415	-4.0180963259	 0.122214
+H	 3.8061617295	-2.2294721773	-2.1644119458	 0.114779
+H	 3.6392416964	-0.5776860531	-1.5137799028	 0.132377
+H	-0.6081390183	-1.9192462227	-1.180314718	 0.144049
+H	 0.2153817887	-2.1939974564	 0.3340991236	 0.145292
+H	-0.3676366092	 0.1592881884	 1.0771128256	 0.1473
+H	-1.1987167793	 0.4296788911	-0.432814042	 0.145371
+H	-4.0394150332	-1.8367706333	 1.7314029615	 0.194037
+19
+0 5898	2.1305713	0.9368312	0.6839903	2.8175	79.52	-0.24649	-0.02332	0.22316999999999998	1637.205	0.152874	-422.521547	-422.510755	-422.509811	-422.558998	36.637
+C	 1.2156096239	-0.4500673172	 0.6674197273	-0.231667
+O	-0.1272266183	-0.2538483461	 1.0534846558	-0.229117
+C	-0.6257722395	 1.0096380081	 0.6909842357	-0.15409
+C	-2.0904431292	 1.175639975	 1.1038120754	 0.324166
+O	-2.6235194225	 2.2484497822	 0.9445364585	-0.297659
+C	-2.813260678	-0.0201642093	 1.6981279271	-0.270122
+C	-2.4239033949	-0.2269329581	 3.1869024943	-0.355746
+C	-3.1363235658	-1.3454323966	 3.7890128406	 0.295055
+C	-3.735712238	-2.2726653207	 4.2639258729	-0.43655
+H	 1.8849506398	 0.2840668234	 1.1410555404	 0.112637
+H	 1.5029680883	-1.453527935	 0.9884255916	 0.135935
+H	 1.3366423563	-0.3737831955	-0.4239194443	 0.112674
+H	-0.0471337628	 1.8256054802	 1.1533412318	 0.122848
+H	-0.5727820105	 1.1639421539	-0.4006569031	 0.12352
+H	-3.8860528979	 0.1664199787	 1.6181313305	 0.128757
+H	-2.5551578082	-0.9255989326	 1.1428959595	 0.13284
+H	-1.3441398441	-0.3964771556	 3.2497776563	 0.150189
+H	-2.6407093745	 0.6913325366	 3.746553585	 0.140906
+H	-4.2599364941	-3.0888767914	 4.6953121248	 0.195421
+19
+0 5899	6.2460544	0.5375829	0.5016826	2.5732	78.59	-0.24693	-0.02061	0.22632000000000002	2108.9064	0.152829	-422.540741	-422.529767	-422.528823	-422.57896	37.262
+O	 3.8529332382	-1.1627011142	-3.5839498976	-0.417271
+C	 3.3497741632	-0.9474827799	-2.2749358246	-0.060161
+C	 1.822041582	-0.8667826842	-2.2513688657	-0.317015
+C	 1.2431458682	-0.7352410527	-0.8508043853	 0.367216
+O	 1.9504894736	-0.7113748412	 0.1324841459	-0.298308
+C	-0.2731152849	-0.6378023234	-0.7495543502	-0.291692
+C	-0.7674334749	-0.524608252	 0.7014813485	-0.357456
+C	-2.2188200598	-0.4256737341	 0.7851473994	 0.284212
+C	-3.4174241388	-0.3453240404	 0.8271842926	-0.428423
+H	 3.6998585951	-0.3636284215	-4.097721134	 0.281564
+H	 3.6815718511	-1.7993299706	-1.6761112717	 0.129787
+H	 3.7806119842	-0.0493775897	-1.8119502032	 0.105056
+H	 1.4680086115	-0.0170037988	-2.8534377968	 0.112217
+H	 1.3961490554	-1.7580015527	-2.7308492639	 0.134176
+H	-0.6099367165	 0.2242286192	-1.3394028963	 0.133882
+H	-0.7158415412	-1.5131413854	-1.2413215113	 0.135876
+H	-0.4135316021	-1.3906230647	 1.2716712084	 0.146333
+H	-0.3003934764	 0.3462085833	 1.1745567619	 0.145915
+H	-4.4751895481	-0.2738381671	 0.883346064	 0.194093
+19
+0 5900	2.3206092	0.9731639	0.7471253	2.5379	78.08	-0.24643	-0.02321	0.22322	1534.2093	0.152425	-422.541337	-422.530235	-422.529291	-422.579426	37.947
+C	 3.4497980528	-2.3675801916	-0.7126745487	-0.480099
+C	 3.5713043425	-1.3234337294	 0.3771677034	 0.378324
+O	 4.1780957295	-1.5137054302	 1.4007296519	-0.281591
+C	 2.8883475672	 0.0455863838	 0.0968076871	-0.265532
+C	 3.2410820338	 1.0831997459	 1.1789685838	-0.201051
+C	 2.7165299252	 2.484587532	 0.8640280231	-0.074383
+O	 3.122470268	 3.4392065306	 1.8315728959	-0.416551
+C	 1.4476056195	-0.1506265775	-0.0529363412	 0.332388
+C	 0.2625309527	-0.3350550988	-0.1438981512	-0.482515
+H	 3.8890312205	-3.3063721528	-0.3744158029	 0.14542
+H	 2.4024801357	-2.5138048729	-0.9905037737	 0.157645
+H	 3.9754400415	-2.0235282099	-1.6114776163	 0.14191
+H	 3.2839964958	 0.3899616702	-0.8718897751	 0.119084
+H	 2.8410426962	 0.7390083663	 2.1392356185	 0.110563
+H	 4.3285449021	 1.1194812869	 1.2884400258	 0.121188
+H	 3.1319176944	 2.8367957987	-0.0876095489	 0.10704
+H	 1.6225902894	 2.4642105899	 0.7511041408	 0.101588
+H	 2.7189627053	 3.1960212159	 2.6709598264	 0.282313
+H	-0.785005852	-0.485144897	-0.2348302584	 0.204258
+19
+0 5901	1.9543281	1.1769388	0.8928903	1.7551	79.26	-0.23808	-0.02947	0.20861000000000002	1403.5806	0.151637	-422.526625	-422.51553	-422.514586	-422.564246	37.705
+C	 1.4621775655	-0.5167895767	 1.7070612662	-0.389015
+C	 1.0986890555	 0.0497346549	 0.3465240614	-0.041055
+O	 1.7563118392	 1.3049256048	 0.2016404452	-0.255096
+C	 1.4562866561	 1.9565588759	-1.0210240631	-0.129112
+C	 1.8459316798	 3.3588712388	-0.9283335455	 0.28224
+C	 2.181578111	 4.5123573593	-0.9066474051	-0.413446
+C	 2.1956119908	 1.2852029154	-2.2200529173	 0.362833
+C	 3.6834784467	 1.080266172	-2.0470702222	-0.479807
+O	 1.5795379021	 0.9576606125	-3.2031905378	-0.292786
+H	 0.9630955832	-1.4779257148	 1.861421557	 0.120987
+H	 2.5421263889	-0.6703535663	 1.7860962063	 0.128712
+H	 1.1543790536	 0.1684059754	 2.5015959901	 0.133179
+H	 1.4004311016	-0.6418954087	-0.455635869	 0.101246
+H	 0.009987461	 0.1911979624	 0.2580855743	 0.101201
+H	 0.382521694	 1.8840600525	-1.2509760097	 0.114139
+H	 2.4657003253	 5.5353958952	-0.8728183972	 0.20474
+H	 3.8896455194	 0.5811263662	-1.0965219369	 0.152378
+H	 4.0788888127	 0.5037458147	-2.8834418489	 0.139797
+H	 4.1780251437	 2.0566671165	-2.0014088278	 0.158863
+19
+0 5902	2.0093686	1.1753065	0.892386	3.6265	79.05	-0.23956	-0.01562	0.22394	1388.3436	0.152364	-422.526587	-422.515705	-422.514761	-422.563259	37.354
+C	 1.408714591	 0.0722800181	-0.1357606564	-0.231659
+O	 0.002168258	 0.1308704638	-0.054104035	-0.233585
+C	-0.4599927456	 0.58340475	 1.1964123582	-0.072761
+C	-1.9963879485	 0.545004674	 1.164694037	-0.266573
+C	-2.5495937815	 1.1127074387	 2.3879862754	 0.296569
+C	-2.9961771115	 1.613675476	 3.3855857653	-0.461211
+C	-2.5814588577	 1.2883329394	-0.0700311823	 0.413071
+C	-2.0735472946	 2.689831981	-0.3333331642	-0.488813
+O	-3.4061670586	 0.7475711506	-0.7604719996	-0.296164
+H	 1.8286083223	-0.6212458585	 0.6086865937	 0.111273
+H	 1.6612760299	-0.2851781365	-1.136323964	 0.135872
+H	 1.867644453	 1.0613736762	 0.0176111868	 0.10774
+H	-0.0957888524	-0.0589798439	 2.0131780001	 0.108551
+H	-0.1063550232	 1.6061802024	 1.4025047417	 0.100917
+H	-2.3218746819	-0.4944564398	 1.0532720974	 0.133196
+H	-3.4022514101	 2.0383914164	 4.2703189398	 0.202559
+H	-2.0577913414	 3.2825253449	 0.5860816212	 0.144733
+H	-1.0469599799	 2.6273339151	-0.7104181237	 0.153635
+H	-2.7018390573	 3.1702423721	-1.0838961014	 0.14265
+19
+0 5903	1.9081994	1.2618495	0.7959851	1.1202	78.77	-0.25325	0.03183	0.28508	1449.6881	0.153196	-422.482305	-422.472101	-422.471156	-422.518391	35.707
+C	 0.0756241131	 0.7067457488	-0.0474676053	-0.385695
+C	 1.1250188443	-0.3756206358	 0.1356691085	-0.038949
+O	 1.4912578849	-0.847188335	-1.1583183495	-0.262291
+C	 2.3686778084	-1.9588088332	-1.1505795236	-0.097578
+C	 2.3450068332	-2.5715924975	-2.4792843586	 0.309454
+C	 2.368586341	-3.0823955582	-3.5658237025	-0.411474
+C	 3.7940922874	-1.5598499652	-0.788774776	 0.065247
+C	 4.7109346479	-2.5079199006	-0.1506916493	-0.171749
+O	 4.0894949986	-1.4652427414	 0.6054332571	-0.23596
+H	-0.2405184216	 1.0948578646	 0.9254668627	 0.115994
+H	 0.4773702205	 1.5358002881	-0.6369121022	 0.127864
+H	-0.8005896675	 0.3097663242	-0.567573392	 0.126955
+H	 2.0009098633	 0.0138105099	 0.6703318976	 0.117055
+H	 0.7246295696	-1.210225293	 0.733734481	 0.089493
+H	 2.0345708336	-2.6973555084	-0.4011224521	 0.098004
+H	 2.3724105077	-3.5345764661	-4.5268862465	 0.199505
+H	 4.2001090433	-0.7546502209	-1.4005693989	 0.111814
+H	 4.3689121347	-3.516821625	 0.0762019657	 0.120053
+H	 5.7834687276	-2.4031785756	-0.3022138862	 0.122258
+19
+0 5904	2.3709215	1.0575219	0.80121	2.8669	77.98	-0.25599	0.04871	0.30469999999999997	1460.0984	0.153776	-422.480389	-422.470237	-422.469293	-422.516329	35.333
+C	 1.634875168	 0.3535870424	 0.058841689	-0.230549
+O	 0.2612506351	 0.0409056462	 0.0820717448	-0.235176
+C	-0.4271939381	 0.664809803	 1.1416196212	-0.064347
+C	-1.911208266	 0.2628276324	 1.0463729411	-0.242725
+C	-2.639730875	 0.7413492957	 2.2164101242	 0.31606
+C	-3.201935549	 1.1513973779	 3.1961961385	-0.447815
+C	-2.5083464272	 0.7354022138	-0.2779281844	 0.103383
+C	-3.3518526192	 1.9290314247	-0.4055601222	-0.187938
+O	-3.9155613266	 0.6128950403	-0.4400642554	-0.238277
+H	 2.1395881484	 0.0341728899	 0.9837965657	 0.108988
+H	 2.0760858256	-0.1783761687	-0.7871149099	 0.131817
+H	 1.8049081004	 1.4337966699	-0.0702302994	 0.108277
+H	-0.0209489275	 0.348603099	 2.1147118883	 0.103807
+H	-0.3320677998	 1.7615551034	 1.0827312041	 0.098623
+H	-1.9411039755	-0.835620658	 1.0369301254	 0.126505
+H	-3.7153440132	 1.497228173	 4.0591309668	 0.198202
+H	-1.920747662	 0.4196198621	-1.1379558514	 0.112649
+H	-3.5954748661	 2.5091967216	 0.4815213554	 0.125892
+H	-3.3740797021	 2.4709741416	-1.3498918019	 0.112626
+19
+0 5905	2.1809663	1.0011658	0.7218772	2.3262	77.73	-0.26064	0.04357	0.30421	1545.9599	0.154043	-422.496535	-422.486303	-422.485359	-422.532557	35.923
+O	 1.49325229	 0.8575623874	-0.2848873145	-0.420139
+C	 0.2066246216	 0.4033477386	 0.1064170228	-0.08679
+C	-0.8198176552	 1.2476202399	-0.6368815086	-0.177167
+C	-2.2799230889	 0.8448803647	-0.3334331214	-0.204114
+C	-2.6348935785	 1.0376733494	 1.0724995842	 0.335896
+C	-2.938564565	 1.228844461	 2.2200440313	-0.476608
+C	-3.2386293431	 1.6289623754	-1.2214927323	 0.085709
+C	-4.4468352739	 1.0219029041	-1.7845289381	-0.178563
+O	-3.280092269	 1.2313413084	-2.5889651765	-0.237173
+H	 2.1501370769	 0.3630903387	 0.2134678507	 0.286475
+H	 0.0646777987	-0.6607531436	-0.1472516496	 0.083553
+H	 0.056327957	 0.504952339	 1.1913623896	 0.100311
+H	-0.6662588626	 2.3011940445	-0.3786658386	 0.113054
+H	-0.6553586005	 1.14519688	-1.7141775086	 0.128197
+H	-2.4042108441	-0.2167505122	-0.5884429045	 0.107799
+H	-3.2051204866	 1.3841878507	 3.2362153992	 0.198881
+H	-3.2247590875	 2.7080920649	-1.0624790799	 0.104217
+H	-4.677926606	-0.0185460844	-1.5602718097	 0.116827
+H	-5.3036274733	 1.6458039435	-2.0328431656	 0.119636
+19
+0 5906	1.8891742	1.1519494	0.9300406	3.5665	78.3	-0.25265	-0.03118	0.22147	1364.483	0.152294	-422.53326	-422.522319	-422.521374	-422.569664	38.185
+C	 1.5966997744	-0.0705671831	-2.8031257783	-0.424099
+C	 0.0800076022	-0.0601634044	-2.472163507	-0.039322
+C	-0.2401852883	 0.6950099458	-1.1650084032	-0.184513
+C	 0.3540613772	 0.0734887819	 0.0930781427	-0.098812
+O	-0.0808651631	 0.8671120151	 1.1874366655	-0.417459
+C	-0.6134899595	 0.6384160982	-3.6616139262	 0.154738
+O	-1.2154546799	 1.6735142636	-3.5929496968	-0.242685
+C	-0.4329739531	-1.4323261483	-2.4584396274	 0.335478
+C	-0.8742998602	-2.5506972463	-2.4936500969	-0.49681
+H	 2.1440338609	-0.6840061599	-2.0846217823	 0.13928
+H	 1.7738812974	-0.4883719666	-3.7986371005	 0.1299
+H	 1.9944933727	 0.9483439219	-2.7740779302	 0.132317
+H	 0.1150485715	 1.7251561782	-1.2640876565	 0.119401
+H	-1.3255115577	 0.752601021	-1.0434210347	 0.126763
+H	 0.0127000417	-0.9679901996	 0.1910597247	 0.098834
+H	 1.4536819909	 0.0559469251	 0.0344011038	 0.083195
+H	 0.2635261879	 0.4772856053	 1.9960525988	 0.286516
+H	-0.4925382318	 0.0899808041	-4.6219354077	 0.092568
+H	-1.2615473633	-3.5398042019	-2.5062782277	 0.204707
+19
+0 5907	1.9622958	1.1305396	0.9434555	2.9569	78.51	-0.25293	-0.03943	0.2135	1382.3488	0.151656	-422.533938	-422.522834	-422.52189	-422.570574	38.499
+C	-0.2169254954	 0.0204023377	 0.0603339253	-0.38167
+C	 1.313102545	-0.0311030439	 0.0792820761	-0.196347
+C	 1.9442730278	 1.363079816	 0.0696400222	-0.182994
+C	 3.4824907635	 1.3523325292	 0.1080202845	 0.097999
+O	 3.9836964478	 0.7757982699	 1.3161187245	-0.458595
+C	 4.0461451101	 2.7953003297	 0.1166150649	 0.155549
+O	 3.4471225287	 3.7617625914	-0.2617961317	-0.240626
+C	 4.0709034522	 0.6964154305	-1.0640639775	 0.305698
+C	 4.5864936075	 0.1655499693	-2.0124717924	-0.493739
+H	-0.6066939703	 0.5601734394	 0.9302949429	 0.118505
+H	-0.5843919493	 0.5308717333	-0.8365284516	 0.11869
+H	-0.6473055043	-0.9856348708	 0.0718560329	 0.113082
+H	 1.6486494299	-0.5707686065	 0.9735213832	 0.094537
+H	 1.6738253655	-0.6010530448	-0.7856589715	 0.106388
+H	 1.6301034698	 1.9275389928	-0.8141841691	 0.121966
+H	 1.6092388725	 1.9336393936	 0.9433664486	 0.110767
+H	 4.1136410368	-0.1662062679	 1.1686700549	 0.295522
+H	 5.0792073482	 2.8371381562	 0.5204725027	 0.103387
+H	 5.031445054	-0.3053520152	-2.8547771187	 0.21188
+19
+0 5908	2.2081937	1.1343692	0.9415075	2.7961	79.11	-0.25386	-0.03621	0.21764999999999998	1359.3698	0.15132	-422.522481	-422.511491	-422.510547	-422.559128	38.108
+C	-0.1468711456	-0.1686997207	 0.1438137303	-0.382851
+C	 1.3641987284	-0.0131573183	 0.1432114549	-0.050648
+O	 1.8453072857	-0.4891549898	-1.1099566362	-0.280409
+C	 3.2558145852	-0.5515654795	-1.275766643	 0.100188
+C	 3.9345386435	 0.8227439744	-1.3003864697	-0.42938
+C	 3.4010189981	-1.2563377725	-2.6487956978	 0.150462
+O	 4.2438583735	-0.9969917341	-3.4601046621	-0.240882
+C	 3.8846761216	-1.4524633744	-0.2965220424	 0.333712
+C	 4.4050779744	-2.2208968692	 0.4684971523	-0.496051
+H	-0.5627110056	 0.1937629413	 1.0886557677	 0.117984
+H	-0.5943547517	 0.4033578961	-0.6739012156	 0.128288
+H	-0.4251668527	-1.2189819863	 0.0206118566	 0.128909
+H	 1.6416297297	 1.041163096	 0.2841644029	 0.095772
+H	 1.8174337212	-0.5903594262	 0.960741778	 0.10576
+H	 3.976338792	 1.2638852478	-0.3028224382	 0.125734
+H	 4.9511697233	 0.7156969246	-1.6830699926	 0.150826
+H	 3.3785216878	 1.4858027237	-1.9685183971	 0.130212
+H	 2.6283902463	-2.0376477918	-2.7999958188	 0.104123
+H	 4.8669256349	-2.891505691	 1.1511415008	 0.208252
+19
+0 5909	1.9252266	1.2328474	0.9815904	1.4296	79.04	-0.25291	-0.03222	0.22069000000000003	1328.7833	0.151923	-422.518973	-422.508047	-422.507103	-422.555353	37.678
+C	 1.4264647191	-0.0869514391	-0.0720454253	-0.227187
+O	 0.0246462396	-0.0099937386	 0.0405486226	-0.241762
+C	-0.3918181463	 0.725660146	 1.1653974242	-0.063568
+C	-1.9293820655	 0.7290024848	 1.2036127839	-0.062209
+C	-2.517251528	 1.3320941375	-0.0979435511	-0.421237
+C	-2.4135677219	 1.5980101123	 2.3763382474	 0.151075
+O	-1.6960748953	 2.2569327388	 3.0795645853	-0.251078
+C	-2.4674696771	-0.6130006751	 1.4288050045	 0.343018
+C	-2.9503390384	-1.6889343707	 1.6619506389	-0.490507
+H	 1.8777736463	-0.5837091744	 0.8006938217	 0.109669
+H	 1.6494132409	-0.6718774287	-0.9673465074	 0.129375
+H	 1.8831517824	 0.9101100037	-0.1736601722	 0.10675
+H	 0.0022796309	 0.2876636753	 2.0943882483	 0.105037
+H	-0.0343991469	 1.765595949	 1.1156788264	 0.101753
+H	-2.2145888901	 0.7183123171	-0.9469330018	 0.15728
+H	-3.6091848039	 1.3623842115	-0.0544635441	 0.127109
+H	-2.1401315557	 2.3490029783	-0.2449612261	 0.125967
+H	-3.51591949	 1.5741744859	 2.5177470971	 0.097352
+H	-3.3580375401	-2.6517756635	 1.8489507777	 0.203164
+19
+0 5910	1.934873	0.7889226	0.5927897	3.0251	83.99	-0.26615	-0.06168	0.20446999999999999	1847.2265	0.153702	-422.532891	-422.521822	-422.520878	-422.571489	36.825
+C	-3.0809154439	 0.9928739304	 1.0804504381	-0.392316
+C	-2.540610536	-0.0101075987	 0.0371976648	-0.16025
+C	-3.098419232	-1.4312009284	 0.2768794426	-0.19298
+C	-2.7218587041	-2.4329577355	-0.8170257942	-0.071966
+O	-3.3083499073	-3.7063699422	-0.6062736975	-0.415432
+C	-1.0799697838	 0.0048640905	 0.038367606	 0.157858
+C	 0.1285454113	 0.0089474001	 0.0767380875	-0.036514
+C	 1.567506045	 0.0439441324	 0.0941447915	 0.02266
+O	 2.2672016919	-0.761476019	 0.6655159365	-0.23081
+H	-2.7817819509	 0.6977394994	 2.0901915661	 0.134673
+H	-2.7004700097	 1.9997713365	 0.8918701337	 0.13074
+H	-4.1734687701	 1.0191627058	 1.0369485789	 0.125082
+H	-2.8761325822	 0.3252584327	-0.9549673379	 0.116579
+H	-2.738733418	-1.7947664189	 1.2482300724	 0.102091
+H	-4.1907219223	-1.3727883031	 0.338399958	 0.110315
+H	-3.1045013791	-2.0870942884	-1.7844202247	 0.11028
+H	-1.6278118784	-2.5013511461	-0.9066781732	 0.10754
+H	-2.886188058	-4.1021488556	 0.1627912731	 0.284573
+H	 2.0077143177	 0.8901525581	-0.4720400418	 0.097876
+19
+0 5911	3.9175278	0.5552096	0.5122815	3.1267	85.38	-0.26976	-0.06498	0.20478000000000002	2137.9832	0.153391	-422.531512	-422.52048	-422.519535	-422.56944	36.912
+C	-5.1776136284	 1.4780159922	 2.5667252841	-0.389675
+C	-4.6597501281	 0.8247461618	 1.2830441327	-0.166823
+C	-3.133768323	 0.6955382409	 1.2601158596	-0.17843
+C	-2.6218103466	-0.0236297024	-0.0065575693	-0.076251
+O	-3.1700023713	-1.3282728016	-0.1526282727	-0.408436
+C	-1.1573864129	-0.0468929321	-0.0302740426	 0.087034
+C	 0.0495379269	-0.1089803515	 0.002609503	 0.04166
+C	 1.4890081875	-0.1430329313	 0.0187253323	 0.024396
+O	 2.1475003222	-1.1149175393	 0.3105012432	-0.229037
+H	-4.899361341	 0.8924689226	 3.4499989368	 0.116599
+H	-4.7674024128	 2.4856933048	 2.6964165337	 0.115571
+H	-6.2684884167	 1.5618576541	 2.5541557988	 0.1177
+H	-5.099872546	-0.1701459967	 1.1608247519	 0.116861
+H	-4.9829209083	 1.4118441954	 0.4132063051	 0.09774
+H	-2.663826601	 1.6851688033	 1.3135726092	 0.110356
+H	-2.7850082617	 0.1382593701	 2.1399117634	 0.102
+H	-2.9787513598	 0.5267297331	-0.886697213	 0.126941
+H	-2.7580419707	-1.8961735306	 0.5088474233	 0.290169
+H	 1.9666737616	 0.8172714571	-0.2634368898	 0.101625
+19
+0 5912	2.5952375	0.7122674	0.5797533	3.0896	84.98	-0.26777	-0.06317	0.2046	1898.2819	0.152908	-422.52242	-422.511425	-422.510481	-422.56029	36.54
+C	-3.196982328	 3.1814808348	 1.8137547462	-0.384421
+C	-2.6303710876	 1.7842552253	 1.6332357792	-0.041561
+O	-2.9237111734	 1.3544427221	 0.3114528617	-0.236839
+C	-2.4849225739	 0.0446236691	 0.0090135615	-0.045709
+C	-3.1002908219	-0.3444168234	-1.3387944178	-0.396002
+C	-1.0195855951	-0.0641580489	-0.0267021025	 0.172003
+C	 0.1839701662	-0.1682185855	-0.0704574209	-0.039276
+C	 1.6204012294	-0.2557415805	-0.1171687935	 0.021074
+O	 2.2383096227	-1.2693523879	-0.3499778895	-0.228679
+H	-2.9927797828	 3.5443702367	 2.8253541001	 0.118771
+H	-2.7446844288	 3.8739335483	 1.0983969725	 0.130514
+H	-4.2790390102	 3.1826561466	 1.6553719508	 0.128011
+H	-1.5430073794	 1.7805502377	 1.8007989043	 0.099809
+H	-3.0762000757	 1.0847201237	 2.3597746015	 0.089335
+H	-2.8463583696	-0.6553837737	 0.7830905423	 0.104424
+H	-2.816999215	-1.3639961483	-1.6094186529	 0.134899
+H	-4.1882358492	-0.2771197028	-1.2669100648	 0.131842
+H	-2.7552090022	 0.3388290761	-2.1181002452	 0.140993
+H	 2.1375636244	 0.7050011905	 0.0820261272	 0.100813
+19
+0 5913	2.0713121	0.8072209	0.6195148	3.9786	84.78	-0.2605	-0.05548	0.20502	1812.0935	0.153226	-422.517927	-422.506845	-422.505901	-422.55645	36.336
+C	 1.427751349	-0.0760478905	-0.0093314285	-0.230998
+O	 0.0225366521	-0.0638768588	 0.09212008	-0.230292
+C	-0.4435843186	 0.680423844	 1.1888286871	-0.042135
+C	-1.979571437	 0.6920901485	 1.1515881377	-0.175924
+C	-2.5576217259	 1.3473300712	 2.4232452575	-0.399109
+C	-2.4661632823	 1.3716287985	-0.0449614041	 0.173333
+C	-2.8691824903	 1.9772120835	-1.00985518	-0.040283
+C	-3.3712919612	 2.6545135743	-2.1753456336	 0.0251
+O	-2.9920972256	 3.7376115675	-2.560484702	-0.233055
+H	 1.8973543391	-0.5255486526	 0.8799434612	 0.104818
+H	 1.6850305677	-0.6752174624	-0.8855822804	 0.132868
+H	 1.8350291807	 0.9384989165	-0.1385664785	 0.111783
+H	-0.1115883786	 0.2294152548	 2.1397390199	 0.088331
+H	-0.0613047614	 1.7140258405	 1.158244539	 0.100029
+H	-2.3050102242	-0.3555088701	 1.1130187946	 0.12331
+H	-2.227048799	 0.7999291734	 3.3108657653	 0.123963
+H	-2.2268672369	 2.3861993301	 2.510530783	 0.136826
+H	-3.6495021804	 1.3405594635	 2.3999760752	 0.135856
+H	-4.1609209672	 2.0951679682	-2.7182047634	 0.095578
+19
+0 5914	1.9613645	1.0237706	0.9323124	3.2291	78.21	-0.26101	-0.05968	0.20133	1410.0126	0.153235	-422.535487	-422.524657	-422.523713	-422.572522	37.461
+C	 3.0081530975	-0.9264796151	 2.2716064953	-0.417499
+C	 3.2485910828	 0.2171333421	 1.2694574425	-0.090164
+C	 2.8442371954	 1.580657424	 1.8627384001	-0.220304
+C	 3.1998095343	 2.7734935939	 0.9707505732	-0.06927
+O	 2.7975160962	 4.010304479	 1.5349088465	-0.415681
+C	 2.5137324086	-0.0680194861	-0.0377725948	 0.257995
+O	 3.0848621681	-0.2517604418	-1.0907741012	-0.292429
+C	 1.0585076368	-0.1217348934	 0.0397510709	 0.295364
+C	-0.1435561574	-0.1621169754	 0.0974015111	-0.460175
+H	 3.5796762412	-0.7485405011	 3.1875080514	 0.123029
+H	 1.9498094263	-0.9981339279	 2.540030695	 0.133081
+H	 3.3214413251	-1.889613521	 1.8578158219	 0.129867
+H	 4.3091394411	 0.2384748264	 0.9941138455	 0.0992
+H	 1.7676282931	 1.597796568	 2.0666473897	 0.120602
+H	 3.3505656274	 1.6935888319	 2.8311600638	 0.08896
+H	 4.2781557402	 2.7647080235	 0.7438035498	 0.093053
+H	 2.6744111439	 2.7034816773	 0.0122430685	 0.124918
+H	 3.2984150472	 4.1416337294	 2.3462887359	 0.28082
+H	-1.2055329078	-0.1998089037	 0.1327568852	 0.218635
+19
+0 5915	3.6700691	0.7970632	0.6868571	2.4169	79.99	-0.25758	-0.06789	0.18968999999999997	1649.0477	0.152679	-422.535737	-422.524854	-422.52391	-422.573177	37.637
+C	 3.8522960801	 2.4302828159	-4.3321887996	-0.383776
+C	 3.6968475564	 1.1388801964	-3.52524279	-0.176736
+C	 3.0058584505	 1.3681271315	-2.1777970002	-0.159971
+C	 2.8150931147	 0.0792000722	-1.3773231934	 0.00129
+O	 1.928356154	-0.7606277277	-2.0878269757	-0.429421
+C	 2.3335958414	 0.3871383635	 0.0509265866	 0.207277
+O	 2.8131702149	 1.2707015545	 0.7247488696	-0.284768
+C	 1.2888714087	-0.4858783045	 0.5712965595	 0.24285
+C	 0.4515752397	-1.2249757658	 1.0229863213	-0.403627
+H	 4.4443024375	 3.1728491812	-3.7855762455	 0.114878
+H	 4.3519074538	 2.243306557	-5.2877531992	 0.112216
+H	 2.8774910639	 2.8808450028	-4.5494320391	 0.116146
+H	 3.1229181574	 0.4046796666	-4.1002087489	 0.1176
+H	 4.6849693179	 0.691817868	-3.351472205	 0.091694
+H	 3.5814846577	 2.0632966652	-1.5588522767	 0.122029
+H	 2.0173926621	 1.8179521438	-2.3355776464	 0.106075
+H	 3.8012570393	-0.4053817478	-1.24831346	 0.099932
+H	 1.7443934523	-1.5425607207	-1.5557442144	 0.285413
+H	-0.2945276322	-1.8607083421	 1.4354726972	 0.220898
+19
+0 5916	1.9707839	1.1978904	0.9626729	2.2012	78.91	-0.2489	-0.06234	0.18656	1354.3684	0.15232	-422.526695	-422.515836	-422.514892	-422.563797	37.29
+C	 2.7225809915	 0.1219137185	 4.1504642686	-0.385208
+C	 3.2467550147	 0.2137697906	 2.7285081925	-0.046969
+O	 2.8404684292	-0.9549555554	 2.0291094236	-0.248042
+C	 3.2769548735	-1.0104875032	 0.692286697	 0.038633
+C	 3.0627837385	-2.4389882534	 0.1889402534	-0.416916
+C	 2.5182549646	-0.036001292	-0.2248012948	 0.198732
+O	 3.0398024149	 0.4682884212	-1.1947136856	-0.284111
+C	 1.122941905	 0.205307381	 0.1073984884	 0.311759
+C	-0.0358891639	 0.4186667676	 0.3544303065	-0.451005
+H	 3.1117747875	-0.7721740283	 4.6456810868	 0.127861
+H	 3.0288254336	 1.0004958925	 4.7258188243	 0.117518
+H	 1.6304806746	 0.0674397286	 4.1519609557	 0.129782
+H	 2.855259343	 1.115861003	 2.2335212612	 0.098776
+H	 4.346232726	 0.2873054635	 2.7196620391	 0.093807
+H	 4.340443175	-0.7391696195	 0.6078069298	 0.091987
+H	 3.6209161138	-3.1336125592	 0.8214579812	 0.132224
+H	 2.0023928759	-2.7029030882	 0.2372287714	 0.137292
+H	 3.4082305114	-2.5357677488	-0.8433150088	 0.136651
+H	-1.0598547987	 0.6077000617	 0.5690413299	 0.217228
+19
+0 5917	1.8982077	1.1831513	1.0135048	3.865	78.87	-0.25543	-0.05346	0.20196999999999998	1340.0627	0.152778	-422.521746	-422.510928	-422.509984	-422.558574	36.986
+C	 1.3534068292	 0.0835335106	-0.0892596263	-0.228789
+O	-0.0493064709	 0.0698917809	 0.0316642103	-0.23439
+C	-0.5070169083	 0.6196452975	 1.2459740639	-0.064968
+C	-2.0338443965	 0.6094945254	 1.222585558	-0.110028
+C	-2.6167487862	 1.2086218591	 2.5147877758	-0.423062
+C	-2.5779427396	 1.3549609305	 0.0055474019	 0.27487
+O	-3.4196204975	 0.8866082995	-0.7271753145	-0.28988
+C	-2.0691194899	 2.7051357609	-0.2083034694	 0.299164
+C	-1.6647861644	 3.8254892688	-0.3845232935	-0.472492
+H	 1.8365235437	-0.5097121001	 0.7031942919	 0.104675
+H	 1.6015037137	-0.3540017789	-1.0589288661	 0.132447
+H	 1.7560514591	 1.1076078233	-0.0457747406	 0.106625
+H	-0.14432691	 0.0324227516	 2.1065349781	 0.089542
+H	-0.1336904141	 1.6497697097	 1.3706401965	 0.096503
+H	-2.3785258833	-0.4221952108	 1.1034807541	 0.110624
+H	-2.2462599177	 0.6631875939	 3.3881464965	 0.125271
+H	-2.3356138953	 2.2606734718	 2.6260590424	 0.131996
+H	-3.7081113034	 1.1457797575	 2.5136442702	 0.136873
+H	-1.3180935787	 4.8156036188	-0.5566823395	 0.215018
+19
+0 5918	2.2410041	0.7725446	0.5968773	3.0826	82.56	-0.24597	-0.03043	0.21554	1850.9852	0.152867	-422.536424	-422.52498	-422.524036	-422.576641	37.344
+C	 1.5156785715	 0.0296588327	-0.0330825115	-0.499187
+C	 0.0599707943	 0.0192879267	-0.024259354	 0.117856
+C	-1.1445711837	 0.0122956885	-0.0374759607	 0.018461
+C	-2.6029343281	 0.0120097231	 0.0077505151	-0.256996
+C	-3.1819751178	-1.4288775135	-0.0026683554	-0.216392
+C	-4.7023333057	-1.4656805094	-0.1838420328	-0.074311
+O	-5.1984687198	-2.7917599767	-0.252849463	-0.41671
+C	-3.0540478841	 0.7359230064	 1.2802482242	 0.172577
+O	-3.8768680597	 1.6104727385	 1.313104741	-0.247013
+H	 1.9173371515	 0.0566199777	 0.9857071629	 0.151809
+H	 1.9164394013	-0.8638904676	-0.5239685888	 0.152007
+H	 1.902999054	 0.9048947146	-0.5657491018	 0.153576
+H	-3.0153590074	 0.5730546937	-0.8396715843	 0.121501
+H	-2.7099665425	-1.9918173285	-0.8129619327	 0.127662
+H	-2.9025134932	-1.9321766916	 0.9332206696	 0.099557
+H	-5.2026756376	-0.8878450407	 0.6076405988	 0.106578
+H	-4.9723566044	-0.9971825896	-1.1366314476	 0.120084
+H	-5.0865596144	-3.1966321609	 0.6130610883	 0.282918
+H	-2.5520622041	 0.3646266366	 2.2024171825	 0.086024
+19
+0 5919	2.1516946	0.8548321	0.6379749	1.965	84.11	-0.23931	-0.03519	0.20412	1745.2065	0.151913	-422.522528	-422.511089	-422.510145	-422.562506	37.121
+C	-4.9510381386	-1.1410508365	 2.655975964	-0.386883
+C	-4.5641598188	-0.4745821659	 1.3481819887	-0.039873
+O	-3.1650650491	-0.6612094405	 1.1566602214	-0.255224
+C	-2.6745506041	-0.0624936877	-0.0311390098	-0.122268
+C	-3.0878806177	-0.9163508664	-1.2472093074	 0.144727
+O	-3.6114701804	-0.4852274325	-2.2376724318	-0.235564
+C	-1.2191440017	-0.0144335867	 0.0066232706	-0.009525
+C	-0.015605356	-0.0089683195	-0.0317845106	 0.156171
+C	 1.4385412987	 0.0126245569	-0.0553301657	-0.501926
+H	-4.7330482622	-2.212044223	 2.6211554951	 0.130011
+H	-4.3924328651	-0.7039526522	 3.4881827867	 0.131466
+H	-6.0204011433	-1.0096659157	 2.8456293207	 0.119474
+H	-5.1334512967	-0.9060767799	 0.5101244237	 0.102147
+H	-4.7940334668	 0.6025937247	 1.3735176642	 0.09793
+H	-3.0949818198	 0.9452946661	-0.1731379817	 0.107815
+H	-2.8577982951	-1.9953678229	-1.1049895962	 0.093726
+H	 1.8519997848	-0.6004462805	 0.7526069593	 0.157217
+H	 1.8240667261	-0.3802154302	-1.0023293754	 0.155662
+H	 1.8230534959	 1.0308774522	 0.0662617141	 0.154918
+19
+0 5920	2.3553957	0.8122474	0.6278383	3.8385	83.51	-0.24036	-0.02156	0.2188	1799.4728	0.152486	-422.522764	-422.51142	-422.510476	-422.561681	36.813
+C	-5.1106033922	 0.0149857034	-2.7233064661	-0.230276
+O	-4.5194330691	-0.0219774783	-1.444487694	-0.230433
+C	-3.113754616	-0.0575069062	-1.4859616034	-0.065016
+C	-2.6117397691	-0.0653751102	-0.034397527	-0.253453
+C	-3.105584885	 1.1972715292	 0.6875624725	 0.186214
+O	-3.6951733152	 1.1977849786	 1.731170991	-0.240761
+C	-1.153716067	-0.083548593	 0.0173118724	 0.031745
+C	 0.0495608781	-0.0459808064	 0.0585768907	 0.079955
+C	 1.5036293587	-0.0233923147	 0.1198145856	-0.498764
+H	-4.8487391978	-0.8742906058	-3.3173158991	 0.108703
+H	-6.1930538989	 0.039827084	-2.5802490267	 0.135256
+H	-4.8037852985	 0.9090080563	-3.2881527955	 0.108147
+H	-2.7465197504	-0.9521749325	-2.0122054537	 0.105338
+H	-2.7100291274	 0.8230487221	-2.0142881473	 0.097702
+H	-3.0388754976	-0.9261542393	 0.4911573544	 0.128017
+H	-2.839635422	 2.139745486	 0.156866067	 0.07908
+H	 1.8526913351	 0.4261571097	 1.0557526648	 0.155062
+H	 1.9178413994	-1.0359088677	 0.0631284808	 0.152982
+H	 1.9281532748	 0.5565768247	-0.7067681662	 0.150501
+19
+0 5921	2.6781587	0.8819693	0.7041947	2.9844	79.29	-0.24333	-0.0279	0.21542999999999998	1616.2593	0.15197	-422.518468	-422.507543	-422.506599	-422.556165	37.001
+C	 6.6200066538	 0.4939506365	 1.1514259585	-0.385981
+C	 5.1204003278	 0.6322359284	 1.3479162676	-0.046419
+O	 4.5161813389	-0.6167329603	 1.0443805105	-0.256514
+C	 3.1173993813	-0.6676774121	 1.2269990041	 0.032667
+C	 2.3768689625	-0.2055315866	-0.0606627453	-0.387234
+C	 0.9363649578	-0.0922423899	 0.1043604119	 0.313178
+C	-0.2509570472	 0.0047632203	 0.2586404288	-0.439616
+C	 2.7892250488	-2.1241949019	 1.5353016886	 0.153205
+O	 1.8471140729	-2.4886694213	 2.1843300905	-0.234764
+H	 7.021331863	-0.2870459783	 1.8030497815	 0.131547
+H	 6.8495323109	 0.2286998294	 0.115649079	 0.129826
+H	 7.1209234531	 1.437222862	 1.387826626	 0.120513
+H	 4.8869410287	 0.9141451025	 2.3868166437	 0.099509
+H	 4.7213180992	 1.4263933445	 0.698124282	 0.094197
+H	 2.7926463187	-0.0502165934	 2.0752151096	 0.104088
+H	 2.7961805522	 0.7636479755	-0.3557519094	 0.139368
+H	 2.620418964	-0.9047780063	-0.8705073775	 0.140451
+H	-1.3011710428	 0.0800199252	 0.3957060572	 0.201331
+H	 3.5185954964	-2.834578834	 1.0849389926	 0.090648
+19
+0 5922	2.1105361	0.9883776	0.7016382	1.599	79.22	-0.24972	-0.02668	0.22304	1594.1219	0.152662	-422.517604	-422.506878	-422.505934	-422.55443	36.531
+C	 1.3168806254	-0.0277844674	-0.1398003266	-0.228962
+O	-0.08121569	-0.0341414486	 0.0339449999	-0.24236
+C	-0.5068404	 0.8015760546	 1.0887490827	-0.07003
+C	-2.0238122822	 0.6909899373	 1.1991022272	-0.117476
+C	-2.4747300876	-0.7647620953	 1.5035117535	-0.369245
+C	-3.9164718009	-0.9593561166	 1.4231066867	 0.293789
+C	-5.1074713341	-1.1019406777	 1.3428103667	-0.437727
+C	-2.5787675021	 1.6590793739	 2.2248367001	 0.145926
+O	-1.9155444602	 2.4705385658	 2.8220057032	-0.249116
+H	 1.8407823951	-0.3832564385	 0.7611974608	 0.107733
+H	 1.5458387983	-0.6986097961	-0.9711368956	 0.129512
+H	 1.6923083448	 0.9789957472	-0.3795730949	 0.109573
+H	-0.0333047241	 0.5047446219	 2.0394371044	 0.096949
+H	-0.2219874825	 1.8477593063	 0.9051386194	 0.108992
+H	-2.4691401651	 0.9672131698	 0.2322147559	 0.122294
+H	-1.9675602823	-1.4163583377	 0.7852382758	 0.162258
+H	-2.1127872504	-1.0561794693	 2.4984623966	 0.135251
+H	-6.1579760931	-1.2422493194	 1.2763385154	 0.1996
+H	-3.672025799	 1.5676410098	 2.3985444487	 0.103039
+19
+0 5923	1.6172989	1.1089312	0.6986053	1.1127	78.65	-0.2533	-0.03002	0.22328000000000003	1582.1848	0.152805	-422.531294	-422.520393	-422.519449	-422.56891	37.137
+O	 2.563765906	-4.058666523	 2.8450472642	-0.419839
+C	 3.0518347681	-2.7273677156	 2.8439021795	-0.082005
+C	 2.6514229385	-2.0980109074	 1.5139137483	-0.194498
+C	 3.1246468383	-0.6413096309	 1.3658468291	-0.078512
+C	 2.5223198869	 0.0327628152	 0.1012585002	-0.382441
+C	 1.0692499704	 0.1239703361	 0.1405468961	 0.300797
+C	-0.1290134471	 0.2003489895	 0.1940197299	-0.431168
+C	 4.637354831	-0.5981503728	 1.2547854943	 0.15469
+O	 5.3782109453	-0.0530532369	 2.0303849411	-0.248457
+H	 2.8097621416	-4.4692397205	 3.679037039	 0.288534
+H	 2.6234416123	-2.1399671986	 3.6721330626	 0.094125
+H	 4.1468006148	-2.7030120315	 2.964984737	 0.097399
+H	 3.0585193249	-2.709198444	 0.6974305006	 0.108338
+H	 1.561923017	-2.1321710137	 1.4192340522	 0.133025
+H	 2.8428612779	-0.057288465	 2.2479015116	 0.105752
+H	 2.9450761803	 1.039533817	-0.0057351974	 0.143818
+H	 2.8324075562	-0.5291066416	-0.7901764004	 0.136068
+H	-1.188026604	 0.2708849924	 0.2282729433	 0.200582
+H	 5.0370007115	-1.1375218587	 0.3611670189	 0.073792
+19
+0 5924	2.0899528	1.0303284	0.7465923	2.0327	79.1	-0.2744	0.00477	0.27917	1552.6785	0.153572	-422.550151	-422.539669	-422.538725	-422.587137	36.173
+C	-1.107829375	 3.8115061055	-3.9026903682	-0.386618
+C	-0.5355001931	 2.9910305184	-2.7438895284	-0.17807
+C	-1.5846045213	 2.6801482481	-1.671955913	-0.181056
+C	-1.0290784207	 1.875105842	-0.4922511272	-0.090073
+O	-0.605144682	 0.5818680541	-1.0153930633	-0.211326
+C	 0.4489280448	 0.0049080015	-0.41504975	 0.190798
+O	 1.0836868272	 0.4497085425	 0.4996192212	-0.298335
+C	-2.0166120529	 1.6763629987	 0.5636328783	 0.342965
+C	-2.8487369166	 1.5364390758	 1.4183451376	-0.440725
+H	-1.9238848534	 3.277150492	-4.4013213913	 0.118394
+H	-1.5057889779	 4.7705429702	-3.5530387003	 0.116442
+H	-0.3408852573	 4.0229753738	-4.6537672141	 0.11659
+H	-0.1209127625	 2.051365796	-3.1245871231	 0.111487
+H	 0.3005801821	 3.5350207066	-2.2848045776	 0.100625
+H	-1.9978954813	 3.6103812348	-1.2654502982	 0.115183
+H	-2.4246385695	 2.1252993251	-2.1053055944	 0.117795
+H	-0.1435283666	 2.3639252692	-0.0734889892	 0.139094
+H	 0.6448642882	-0.9571730359	-0.913544819	 0.112661
+H	-3.5724373723	 1.4083962016	 2.1852615302	 0.20417
+19
+0 5925	1.8177866	1.0544137	0.6960469	3.1684	79.65	-0.24796	-0.02576	0.2222	1605.8869	0.152176	-422.520117	-422.509301	-422.508357	-422.557433	36.819
+C	-3.7858014995	 2.4269467326	-1.7998689091	-0.386067
+C	-2.7672670458	 2.9043741311	-0.7800820355	-0.044148
+O	-2.1432931061	 1.7612320504	-0.2086168751	-0.244936
+C	-1.1435128418	 2.0559395398	 0.7516759831	-0.09113
+C	-0.4160266027	 0.7326270583	 1.04822102	-0.28907
+C	 0.3099942339	 0.1843776456	-0.1646982858	 0.149853
+O	 1.3875512391	-0.3512120769	-0.1162544895	-0.242093
+C	-1.6956850459	 2.6442009178	 1.978777937	 0.336703
+C	-2.1476262994	 3.1133556129	 2.9888742591	-0.446799
+H	-4.5443289961	 1.8018814169	-1.3206155836	 0.131305
+H	-4.2842235501	 3.2827777134	-2.2644956328	 0.11981
+H	-3.3020021572	 1.8390811656	-2.5851132005	 0.127169
+H	-2.0058541061	 3.5434787212	-1.2564888273	 0.090412
+H	-3.2507371197	 3.499524983	 0.007439356	 0.107272
+H	-0.4235766473	 2.7749779883	 0.3219734599	 0.10181
+H	 0.2925885301	 0.8463675236	 1.8712294114	 0.135227
+H	-1.1772633692	 0.0013928493	 1.3496720651	 0.14582
+H	-0.237629794	 0.3026694448	-1.1235853711	 0.095014
+H	-2.5456832423	 3.5322620321	 3.8803310386	 0.203847
+19
+0 5926	2.812936	0.7975024	0.6503909	3.0509	79.44	-0.24783	-0.02413	0.2237	1704.4086	0.152425	-422.515089	-422.504215	-422.503271	-422.552519	36.609
+C	 1.4739929665	-0.0702995139	-0.0212861817	-0.230517
+O	 0.0727746089	-0.137426037	 0.1055331719	-0.229259
+C	-0.4239969677	 0.6702613315	 1.1408605593	-0.051028
+C	-1.9579963448	 0.568991046	 1.144378826	-0.196584
+C	-2.5359018616	 1.2853737359	 2.3911454993	-0.290545
+C	-4.0336884787	 1.1114431327	 2.54045411	 0.151897
+O	-4.5751552769	 0.8018144497	 3.5706649644	-0.240827
+C	-2.5258879208	 1.1020653631	-0.0928446306	 0.350594
+C	-2.9976225868	 1.5757488923	-1.0917193292	-0.478803
+H	 1.9840713427	-0.4049085817	 0.8959091965	 0.105712
+H	 1.7575807823	-0.7303460726	-0.8440490445	 0.132797
+H	 1.8136896663	 0.9517772167	-0.250377926	 0.108489
+H	-0.0367150296	 0.3357965377	 2.1184340149	 0.090236
+H	-0.1207413367	 1.7218611624	 1.004221884	 0.095089
+H	-2.2000024887	-0.500123325	 1.2104172258	 0.127768
+H	-2.0581126402	 0.9211507273	 3.3048408245	 0.124303
+H	-2.3337391355	 2.361990885	 2.3031589997	 0.132538
+H	-4.617744473	 1.2998882404	 1.6141094873	 0.096093
+H	-3.4102179157	 1.9747196795	-1.9853123116	 0.202046
+19
+0 5927	1.679789	1.1423169	0.7257653	2.3168	78.19	-0.25676	-0.03071	0.22604999999999997	1537.682	0.153111	-422.532616	-422.521985	-422.521041	-422.569138	36.92
+O	-3.8250039053	 2.9623778702	 1.8988513206	-0.417731
+C	-2.804631558	 3.1137465025	 0.9257293416	-0.067483
+C	-2.2956213037	 1.7690804396	 0.4030019803	-0.212369
+C	-1.1905530755	 1.9072200996	-0.669963574	-0.17976
+C	-0.5983275112	 0.5362618947	-1.0567034885	-0.304996
+C	 0.2865695166	-0.0839371085	-0.0008109745	 0.150279
+O	 0.58426818	 0.4348567031	 1.0457233437	-0.237059
+C	-1.6786076482	 2.5977394122	-1.8628311448	 0.314678
+C	-2.0884142466	 3.1387930713	-2.8553922753	-0.445104
+H	-3.4404039145	 2.5170673788	 2.6606573093	 0.281568
+H	-3.2515681535	 3.6886525946	 0.10945471	 0.12563
+H	-1.9605675754	 3.7049770818	 1.3169545584	 0.089164
+H	-1.8823565878	 1.1939737024	 1.2389026353	 0.108251
+H	-3.1405795599	 1.2045418723	-0.0074124312	 0.108967
+H	-0.3738707245	 2.4968285849	-0.2322963445	 0.123547
+H	-1.3902983087	-0.1819127257	-1.3105068767	 0.135124
+H	 0.0101316739	 0.6191280049	-1.9682674573	 0.141131
+H	 0.6794454494	-1.0907027303	-0.2700074451	 0.089059
+H	-2.4459204469	 3.6334096814	-3.7244984174	 0.197103
+19
+0 5928	1.8659077	1.3032319	0.866377	1.7659	78.07	-0.25719	0.01952	0.27670999999999996	1362.756	0.153201	-422.503943	-422.493629	-422.492684	-422.539495	37.028
+C	-1.5465949515	-1.0742180677	 2.8446717842	-0.463221
+C	-1.9103323946	-0.315924771	 1.5859521743	 0.399942
+C	-0.8472572604	 0.5935402528	 0.9972442263	-0.293456
+C	 0.3620972442	-0.1528093468	 0.418871593	-0.060466
+O	 1.3021296725	 0.7282582283	-0.172542584	-0.414206
+O	-3.2343412074	 0.2329396836	 1.5917232775	-0.286524
+C	-2.9741038167	-0.872272823	 0.7086882351	-0.223176
+C	-3.0314941459	-0.6299226126	-0.7081509561	 0.337387
+C	-3.0857295099	-0.4675310004	-1.8983156337	-0.416929
+H	-0.7024933875	-1.7494050138	 2.6734697833	 0.129715
+H	-1.2619178491	-0.3734658999	 3.6371781095	 0.128678
+H	-2.3962907911	-1.6619280572	 3.1998925513	 0.131672
+H	-1.2952968008	 1.1988574424	 0.2059116906	 0.132749
+H	-0.5079583337	 1.2833540141	 1.7833358099	 0.090551
+H	 0.837817787	-0.7803722295	 1.1887080998	 0.086266
+H	 0.0315481911	-0.8179518506	-0.3851835233	 0.124951
+H	 1.6451143591	 1.3023557667	 0.5198345233	 0.281277
+H	-3.441725747	-1.8049957167	 1.0254238133	 0.110496
+H	-3.1319806683	-0.3138266889	-2.9483450542	 0.204293
+19
+0 5929	2.0184294	1.2952699	0.8913081	1.5777	79.17	-0.25851	0.02078	0.27929000000000004	1354.4066	0.152582	-422.489319	-422.478924	-422.477979	-422.525177	36.612
+C	 1.497894357	-0.0551007806	 0.1170603106	-0.222131
+O	 0.0899835972	-0.0346984338	 0.0901912865	-0.239015
+C	-0.468263112	 0.6570394445	 1.1857726153	-0.1272
+C	-1.977298573	 0.5766179513	 1.0800444347	 0.380172
+C	-2.5573845798	-0.8154637282	 0.9984407581	-0.463335
+O	-2.6586303928	 1.4890858339	 1.9440576091	-0.289178
+C	-2.7393904817	 1.7220904266	 0.5235159321	-0.220709
+C	-2.1233138956	 2.9135088153	 0.0056660934	 0.348378
+C	-1.6425042725	 3.9152525795	-0.4534219819	-0.422329
+H	 1.8806808347	-0.5517344103	 1.022773438	 0.105357
+H	 1.8331200041	-0.6123085023	-0.7608624025	 0.128607
+H	 1.9211903954	 0.9604885099	 0.0778406984	 0.109463
+H	-0.1529133434	 0.1963201164	 2.138587468	 0.091495
+H	-0.1495277191	 1.708594008	 1.2010153066	 0.109724
+H	-2.3000089183	-1.3813590422	 1.9006360879	 0.125622
+H	-3.6462346113	-0.7808112785	 0.9155756708	 0.124369
+H	-2.1428968207	-1.3444912017	 0.1371512732	 0.1462
+H	-3.7190884775	 1.4991360911	 0.1010032314	 0.112667
+H	-1.2125100708	 4.7994301212	-0.8551667797	 0.20184
+19
+0 5930	3.4999826	0.9096277	0.8426691	1.1439	80.36	-0.24441	0.04021	0.28462	1441.316	0.153049	-422.495076	-422.484746	-422.483802	-422.530481	36.987
+C	 1.3627375798	 0.8842898974	 0.0556269761	-0.224969
+O	-0.0273636752	 0.9675117589	 0.2659991358	-0.235512
+C	-0.5228787714	-0.0544987008	 1.0992182671	-0.114709
+C	-2.0175214362	 0.1120619013	 1.2711947457	 0.366836
+O	-2.5338365802	-0.9163416235	 2.0580959698	-0.471587
+C	-2.8588221439	 0.6745972247	 0.1689008595	-0.329719
+C	-2.595921011	 1.515398076	 1.4249040675	-0.271076
+C	-3.622431565	 1.6928515544	 2.4041326341	 0.279862
+C	-4.4604840314	 1.7624750954	 3.2675728708	-0.419775
+H	 1.6438521917	-0.0635225489	-0.4287303434	 0.109532
+H	 1.644367332	 1.7135261018	-0.5974445388	 0.129724
+H	 1.9226390709	 0.9669936366	 1.0000255297	 0.108885
+H	-0.3234854954	-1.048738313	 0.6650127991	 0.102985
+H	-0.0399731162	-0.0274192326	 2.0901766396	 0.095592
+H	-3.0699242263	-0.5196536388	 2.7582948382	 0.28941
+H	-2.3685544352	 1.0080934091	-0.7374786683	 0.132461
+H	-3.8523939578	 0.2576391415	 0.0563254746	 0.125047
+H	-1.8908003027	 2.3310826821	 1.3074309947	 0.12826
+H	-5.2182051763	 1.8691161283	 4.0038112882	 0.198754
+19
+0 5931	4.591648	0.7673339	0.7363138	1.7515	79.58	-0.24503	0.03166	0.27669	1558.8027	0.153392	-422.509869	-422.49948	-422.498536	-422.545381	37.529
+O	 1.6100260534	 0.7440192927	-0.1315200418	-0.419998
+C	 0.2757519619	 0.3360581448	 0.1305268258	-0.064395
+C	-0.7489705441	 1.1631189365	-0.6557947438	-0.25625
+C	-2.1707453664	 0.7142909426	-0.4046397283	 0.422962
+O	-2.5280205081	 0.847520647	 0.9394392318	-0.47816
+C	-2.7542989215	-0.4280559752	-1.1876332779	-0.334432
+C	-3.2418981164	 0.9994937587	-1.459377132	-0.292419
+C	-4.5300206389	 1.4091989311	-0.9921895678	 0.281899
+C	-5.5769751237	 1.7684271371	-0.515339046	-0.422642
+H	 1.7261624159	 1.6232442626	 0.2421419287	 0.281208
+H	 0.2196502386	-0.7140829066	-0.1755422158	 0.112036
+H	 0.0399591296	 0.376948048	 1.2023994598	 0.112157
+H	-0.6587017283	 2.2194457495	-0.3688632893	 0.094933
+H	-0.5157318187	 1.0925071277	-1.7237097694	 0.104004
+H	-3.4252820665	 1.2056395988	 0.9826503334	 0.286937
+H	-2.1616503033	-0.8986149308	-1.9647530199	 0.121841
+H	-3.4399471517	-1.0841739144	-0.6648098564	 0.12973
+H	-2.905360296	 1.4639775452	-2.3811812364	 0.117789
+H	-6.522045816	 2.0735377746	-0.1389547948	 0.202802
+19
+0 5932	1.8035191	1.3577525	0.8904254	2.0892	77.45	-0.2582	0.048	0.30619999999999997	1360.5259	0.153366	-422.486369	-422.476239	-422.475295	-422.522265	35.73
+C	 1.4165701472	-0.0583396188	-0.0564973203	-0.223988
+O	 0.0145227837	 0.0329846055	 0.0339005176	-0.237604
+C	-0.4233558415	 0.5921388421	 1.2522715207	-0.118641
+C	-1.9295925307	 0.6984924339	 1.2154625138	 0.399386
+C	-2.5185303501	 1.4262577672	 0.0090326572	-0.422926
+C	-2.1777943933	 2.8440363875	-0.0161709733	 0.310701
+C	-1.8884292547	 4.010688306	-0.0152343799	-0.46705
+C	-2.6850224547	 0.641424432	 2.4712171096	-0.229483
+O	-2.6404957559	-0.4845763458	 1.5895545835	-0.274513
+H	 1.8341381767	-0.7074329956	 0.7290946101	 0.106868
+H	 1.6531128362	-0.4886881248	-1.0323204822	 0.130406
+H	 1.8953683403	 0.9303585938	 0.0235067051	 0.107185
+H	-0.1255638435	-0.0378604399	 2.1049202676	 0.093326
+H	 0.0131060749	 1.594582809	 1.3963132391	 0.103658
+H	-2.1473824569	 0.9375970899	-0.8983867937	 0.15673
+H	-3.6057252494	 1.2947983498	 0.0272508207	 0.136598
+H	-1.639934471	 5.0428927017	-0.0261573813	 0.197222
+H	-2.1616528314	 0.513953916	 3.4179811488	 0.114199
+H	-3.645070676	 1.1511019006	 2.5385960768	 0.117925
+19
+0 5933	1.7626641	1.2676688	0.8424517	1.8993	76.59	-0.26018	0.04491	0.30509000000000003	1397.0786	0.153761	-422.499834	-422.489685	-422.488741	-422.535925	36.231
+O	 2.5812465756	 3.8206625633	 2.2625121108	-0.414761
+C	 3.0238328972	 2.7064100177	 1.5072242915	-0.058398
+C	 2.7002821867	 1.3726456162	 2.1914044167	-0.29401
+C	 3.1584495752	 0.1555681084	 1.4116893316	 0.414937
+C	 2.5038000102	-0.0947609883	 0.051493553	-0.427302
+C	 1.0456842469	-0.1135108649	 0.0977028597	 0.310005
+C	-0.1550736591	-0.1167625296	 0.1429485913	-0.442133
+C	 4.502201751	-0.3992993073	 1.6364698413	-0.23342
+O	 3.3464322208	-1.0267219668	 2.1967136625	-0.272399
+H	 3.0431464186	 3.8072451439	 3.1069795108	 0.28174
+H	 2.4992498268	 2.7801423513	 0.5490901148	 0.120067
+H	 4.1035186919	 2.7683713546	 1.2927128037	 0.085711
+H	 3.1818777408	 1.3400610111	 3.176121435	 0.096136
+H	 1.619319719	 1.3130269294	 2.3554130253	 0.132435
+H	 2.8361042411	 0.6765707506	-0.6560235882	 0.137015
+H	 2.8747485823	-1.0519572159	-0.3311148224	 0.1402
+H	-1.2162721551	-0.1282437185	 0.1790788342	 0.200466
+H	 5.0011637754	-0.9578462461	 0.8450896421	 0.112484
+H	 5.1698631547	 0.078835971	 2.3523110662	 0.111227
+19
+0 5934	1.8840572	1.0191648	0.718029	3.3099	81.27	-0.24551	0.02925	0.27476	1608.6026	0.153715	-422.504554	-422.493851	-422.492907	-422.542195	36.451
+C	 1.5780207195	-0.0313705451	-0.0695603695	-0.503671
+C	 0.1241118899	-0.076802495	-0.0279741359	 0.114489
+C	-1.0801578072	-0.1041429717	-0.0074706082	 0.036089
+C	-2.523428458	-0.158535517	 0.0501900387	 0.202018
+C	-3.1317184618	-0.5906260005	 1.3732370648	-0.302908
+C	-2.8519526317	 0.4048201967	 2.5051511421	-0.059881
+O	-3.4625164606	 0.0161663718	 3.7252552714	-0.416194
+C	-3.2831711559	-0.3423154629	-1.2047095084	-0.215982
+O	-3.2125009711	 0.9392699172	-0.5916750454	-0.265389
+H	 2.0110805042	-0.2560548606	 0.9111354029	 0.151207
+H	 1.979739513	-0.7563731004	-0.7859270624	 0.151578
+H	 1.930527229	 0.9618702296	-0.368295698	 0.156859
+H	-4.2144799497	-0.694286896	 1.2535750939	 0.114236
+H	-2.730081207	-1.5768497593	 1.6415454133	 0.096551
+H	-1.767573429	 0.5468813676	 2.6213822462	 0.09873
+H	-3.2836353275	 1.376419594	 2.2472612495	 0.128859
+H	-3.0300234922	-0.7885910781	 4.0278968228	 0.280335
+H	-2.7413328847	-0.4445765302	-2.1432764137	 0.118941
+H	-4.2551505791	-0.8335997502	-1.165344474	 0.114131
+19
+0 5935	1.8795014	1.1049867	0.753599	2.4675	82.42	-0.24366	0.03411	0.27776999999999996	1571.4132	0.153105	-422.486517	-422.475799	-422.474855	-422.524349	35.934
+C	-3.2715595763	-3.4436815693	 1.2589795578	-0.222126
+O	-2.7501196326	-2.1401361888	 1.1654639814	-0.225445
+C	-3.1888233558	-1.4593800204	 0.0168912236	-0.126333
+C	-2.5533738733	-0.0854993379	-0.0186310875	 0.194452
+C	-3.3038112944	 1.017812601	-0.6552933443	-0.217978
+O	-3.2374323439	 0.9175938029	 0.7600493087	-0.258722
+C	-1.1119178496	-0.0429636972	 0.0146641551	 0.031844
+C	 0.09170246	-0.0226418939	 0.0270752186	 0.117225
+C	 1.5457893666	 0.0056308253	 0.0576516649	-0.503351
+H	-2.87067158	-3.8895784492	 2.1720696863	 0.130684
+H	-4.3717026961	-3.4416620272	 1.3176843147	 0.105066
+H	-2.9754758067	-4.0651732583	 0.3985100116	 0.103008
+H	-2.9090839514	-2.0133151518	-0.8961864214	 0.091617
+H	-4.284509731	-1.3413022464	 0.0206881831	 0.091833
+H	-2.7460235773	 1.8394797577	-1.1003609793	 0.120706
+H	-4.2786079538	 0.8157971319	-1.0997285782	 0.11143
+H	 1.9079704328	 0.7914649639	 0.7295171894	 0.154937
+H	 1.9528409033	-0.9476660742	 0.4117453733	 0.152897
+H	 1.9637837493	 0.1996738518	-0.9363626978	 0.148256
+19
+0 5936	2.3496287	1.0362984	0.8617807	2.9427	78.16	-0.25875	0.02266	0.28141	1420.5781	0.152945	-422.505005	-422.494545	-422.493601	-422.540762	37.163
+C	-3.8858524383	-1.3604489347	-0.4282018539	-0.432527
+C	-2.7997235866	-0.5045179532	-1.0217470096	 0.03948
+O	-3.1566172579	 0.8133489479	-1.4375218546	-0.292825
+C	-2.2174949355	 0.6858052181	-0.3502531259	 0.180618
+C	-0.8008602624	 1.126082254	-0.6788427531	-0.27413
+C	 0.2469081395	 0.5295636875	 0.2562556078	-0.075982
+O	 1.5115549234	 1.0133239098	-0.167783876	-0.417639
+C	-2.7155901932	 1.0915944202	 0.9447711182	 0.316231
+C	-3.0837288972	 1.4487657967	 2.0325392475	-0.445687
+H	-3.4539480039	-2.2493523594	 0.0438677019	 0.122774
+H	-4.4555960596	-0.8063120134	 0.3201360083	 0.141232
+H	-4.570921442	-1.6955832401	-1.2137564503	 0.131227
+H	-2.1354063274	-1.0159653442	-1.7225926595	 0.090506
+H	-0.5790279209	 0.8323800891	-1.7091346294	 0.12
+H	-0.7385861878	 2.2184876798	-0.6302795781	 0.122782
+H	 0.02912085	 0.8240618568	 1.2934198102	 0.102094
+H	 0.2026831097	-0.5711152787	 0.2108965598	 0.084572
+H	 2.1773475647	 0.6926911535	 0.447293694	 0.287375
+H	-3.4240890347	 1.7644716103	 2.9879267828	 0.199901
+19
+0 5937	1.8712568	1.4621183	0.9604385	1.0729	79.37	-0.22887	0.0277	0.25656999999999996	1291.6995	0.153056	-422.492601	-422.482437	-422.481493	-422.5278	37.058
+C	 0.087787753	-0.322091317	-0.5115375039	-0.38761
+C	 1.1331322726	 0.0815865518	 0.5120453664	-0.069048
+O	 1.4245373263	 1.4729326973	 0.3154528266	-0.301763
+C	 2.3608965847	 1.9944677431	 1.2236250356	 0.178134
+C	 2.25388979	 3.5028393318	 1.3886895281	-0.385603
+C	 1.7265517923	 2.6073972437	 2.4747045905	 0.087469
+O	 0.3594569224	 2.4401485887	 2.6599029304	-0.42696
+C	 3.647043644	 1.3581966975	 1.2838318151	 0.305463
+C	 4.7242396784	 0.8260782992	 1.3548988373	-0.467149
+H	-0.1474759832	-1.3855242244	-0.4086635966	 0.121671
+H	-0.8365145895	 0.2481010339	-0.3771595411	 0.120697
+H	 0.45505062	-0.144122494	-1.5260760297	 0.132337
+H	 0.7723563013	-0.0780711254	 1.5372687112	 0.109337
+H	 2.0526630176	-0.5035257523	 0.3851498548	 0.114844
+H	 3.1716275373	 4.0548613981	 1.5536350535	 0.130784
+H	 1.5262248851	 3.9857174656	 0.7445200223	 0.128625
+H	 2.2643683089	 2.5438561858	 3.4135678505	 0.120828
+H	-0.0153363256	 2.2728046699	 1.7847900796	 0.291019
+H	 5.6770020844	 0.3606970965	 1.4129361196	 0.196921
+19
+0 5938	1.9645135	1.4093352	0.9619506	1.7113	79.25	-0.23756	0.04697	0.28453	1286.5095	0.15404	-422.49222	-422.482223	-422.481279	-422.527048	36.436
+C	 1.3759996674	 0.2359668189	-0.1640845164	-0.229638
+O	-0.0161417861	 0.4017581995	-0.001152384	-0.247004
+C	-0.3873170238	 0.6635919113	 1.347179705	-0.151251
+C	-1.9026002962	 0.6941118292	 1.4132131562	 0.057578
+C	-2.5742797571	 1.8887964412	 2.1006909081	-0.346141
+C	-2.5655584791	 1.8152244152	 0.6106231132	 0.10103
+O	-1.7409698145	 2.6987571128	-0.0780783073	-0.430381
+C	-2.561439935	-0.5807579404	 1.4606226903	 0.293246
+C	-3.1173697145	-1.6469533241	 1.5050069677	-0.45431
+H	 1.7499083644	-0.6139207332	 0.4260742588	 0.114194
+H	 1.5595748558	 0.0401164843	-1.2229194612	 0.132142
+H	 1.9336036386	 1.1368559047	 0.1354335846	 0.109891
+H	 0.0106893932	-0.119366629	 2.0087596154	 0.105367
+H	 0.0305328171	 1.6280893686	 1.6673745805	 0.101968
+H	-3.5022159821	 1.6976591536	 2.6256265378	 0.128203
+H	-1.9164302866	 2.617287383	 2.5612163303	 0.126278
+H	-3.4970417484	 1.554617961	 0.1109381641	 0.102506
+H	-1.1515356857	 2.1557502255	-0.6197023191	 0.295803
+H	-3.6056853973	-2.588969042	 1.5369954561	 0.190519
+19
+0 5939	2.4674198	1.1197791	0.8604831	2.0455	79.62	-0.25522	0.02758	0.2828	1406.6177	0.152586	-422.488197	-422.477754	-422.47681	-422.523944	36.655
+C	 1.6122307018	 0.6244349821	-0.0174599715	-0.226807
+O	 0.2182782448	 0.8248834506	-0.0252067175	-0.233228
+C	-0.4421827256	 0.1115650724	 0.9868742376	-0.157271
+C	-1.9177622382	 0.4848132358	 1.0119281614	 0.172675
+O	-2.2002794897	 1.8901358053	 1.0882761473	-0.289235
+C	-2.5429704903	 1.2063026186	-0.1223996995	 0.043278
+C	-4.0039374478	 1.1020362088	-0.466528008	-0.433818
+C	-2.7041305237	-0.3693147794	 1.8719616557	 0.280567
+C	-3.3093706087	-1.1123059883	 2.5980767622	-0.416252
+H	 1.8740251765	-0.4327586994	-0.1813863493	 0.106393
+H	 2.0306167629	 1.2229244193	-0.8297566306	 0.131435
+H	 2.063374445	 0.9474028705	 0.9334338279	 0.11092
+H	-0.3534358978	-0.9767680063	 0.8320801162	 0.101249
+H	-0.008868468	 0.3379769211	 1.9755342042	 0.107027
+H	-1.8696606674	 1.4366909997	-0.9460254075	 0.114013
+H	-4.5943200385	 0.7999037662	 0.4008023929	 0.138044
+H	-4.373899794	 2.06888381	-0.8231392427	 0.130013
+H	-4.1529320119	 0.3696340129	-1.26710881	 0.123422
+H	-3.8582927493	-1.7565579398	 3.2398180112	 0.197575
+19
+0 5940	1.9051959	1.5634247	1.0765413	2.6691	78.39	-0.23009	0.05131	0.2814	1188.173	0.15461	-422.512628	-422.502782	-422.501838	-422.546986	36.62
+O	 0.5700052682	-0.3598585257	-0.3478871281	-0.414471
+C	 0.2678134541	 0.8816752625	 0.3003991729	-0.086009
+C	-0.8244114829	 1.5963208999	-0.4893111179	-0.288884
+C	-2.1757076953	 0.8867250561	-0.4296733714	 0.092244
+C	-3.1267505787	 1.0171400116	-1.6234695037	-0.351336
+C	-2.4183382014	-0.2780913415	-1.3988069369	 0.091586
+O	-1.4169743492	-0.6243480305	-2.2920327418	-0.431972
+C	-2.7615428132	 0.784984869	 0.8781436671	 0.291867
+C	-3.2365270589	 0.6987913894	 1.981609359	-0.46622
+H	 1.021281137	-0.9365049379	 0.2740294494	 0.296577
+H	-0.0741694551	 0.7046878789	 1.328278759	 0.112934
+H	 1.1683172923	 1.5107368742	 0.3407170176	 0.095943
+H	-0.9270160685	 2.6128219679	-0.0929110969	 0.109463
+H	-0.5062373684	 1.6806090323	-1.5321027203	 0.124211
+H	-4.1883877665	 1.0799887093	-1.416582781	 0.122204
+H	-2.7747001833	 1.6213921978	-2.4522226681	 0.123746
+H	-3.0026618901	-1.1060819625	-0.9978083911	 0.092011
+H	-0.6292867954	-0.8279326418	-1.7611992163	 0.296915
+H	-3.6664697148	 0.6237932912	 2.9493278784	 0.189193
+19
+0 5941	2.2064137	1.2633429	0.9405388	2.0799	78.04	-0.25326	0.02627	0.27953	1318.692	0.153837	-422.486161	-422.476268	-422.475324	-422.521724	35.012
+C	-0.1032058208	 0.1407770682	 0.0415827087	-0.384034
+C	 1.4003407935	-0.0697863999	 0.005981896	-0.060842
+O	 2.0192360961	 1.2127963914	-0.0072773316	-0.279565
+C	 3.4268537335	 1.2067222325	-0.0065249361	 0.16801
+C	 3.9637575284	 2.6390872792	 0.244824853	-0.109791
+O	 4.5848586028	 2.2492852472	 1.4819288919	-0.268026
+C	 4.097717017	 0.9015906609	 1.3718791337	-0.112324
+C	 3.9993444562	 0.5056340331	-1.1520168336	 0.31742
+C	 4.48067155	-0.0671921259	-2.0931775106	-0.49567
+H	-0.3948949672	 0.698668654	 0.9358391679	 0.127444
+H	-0.4312167056	 0.7040783388	-0.8364385049	 0.130404
+H	-0.6198899661	-0.8235315809	 0.0490555275	 0.117589
+H	 1.7322214102	-0.6406633904	 0.8874631649	 0.090686
+H	 1.6970809807	-0.6386907123	-0.8855639292	 0.108013
+H	 4.6870199458	 3.0137667959	-0.4859082745	 0.113872
+H	 3.1516248816	 3.3606263109	 0.3865993742	 0.116328
+H	 4.9086141073	 0.1659683255	 1.3617595715	 0.111337
+H	 3.3722395063	 0.6542893479	 2.1565117226	 0.105853
+H	 4.9063154502	-0.5699406159	-2.9266373212	 0.203298
+19
+0 5942	2.3682894	1.3246151	1.0101947	1.0272	77.72	-0.24139	0.01956	0.26095	1245.2209	0.153935	-422.482562	-422.4725	-422.471556	-422.518811	35.062
+C	 1.0115168526	 0.7987249975	-0.3349556962	-0.240647
+O	 0.4878084376	 0.8309638079	 0.979801909	-0.238751
+C	-0.4547487226	-0.1727055545	 1.2818316066	-0.126667
+C	-1.907350523	 0.3258302431	 1.1605318531	 0.211721
+C	-2.276410755	 1.4539463257	 2.1650732814	-0.320483
+C	-3.1732870719	 0.3885921686	 2.8217496307	-0.071388
+O	-2.7937655494	-0.6078678557	 1.8437775827	-0.3131
+C	-2.3236989178	 0.5488481257	-0.2188155748	 0.324258
+C	-2.6943775997	 0.7277132221	-1.3489878992	-0.46518
+H	 0.2425535576	 0.9850673547	-1.0935991225	 0.126554
+H	 1.7671748388	 1.58635547	-0.3912108129	 0.125338
+H	 1.4922969177	-0.1675082993	-0.5494633776	 0.106747
+H	-0.3176918087	-1.0675954078	 0.6595549967	 0.104016
+H	-0.3051785789	-0.4614471267	 2.3285608317	 0.106847
+H	-1.4324050318	 1.8115725276	 2.7551867978	 0.128572
+H	-2.8004202006	 2.3010923418	 1.7247288973	 0.123451
+H	-2.8952079412	 0.0849534979	 3.8375372438	 0.106645
+H	-4.2497699304	 0.5912953087	 2.7929859396	 0.110921
+H	-3.0210781631	 0.8801291026	-2.3481995773	 0.201146
+19
+0 5943	2.1116944	1.29648	0.93985	1.8381	78.12	-0.25233	0.0418	0.29413	1311.7821	0.154303	-422.482088	-422.472227	-422.471283	-422.517383	34.715
+C	 1.4476887283	-0.0378895713	-0.0389607287	-0.226347
+O	 0.0434568286	-0.0061002997	 0.0670622601	-0.235002
+C	-0.4074983486	 0.6811219645	 1.2078124312	-0.107874
+C	-1.9370097696	 0.6378190389	 1.2273137483	 0.058059
+C	-2.5315272628	 1.7459405859	 2.1458513392	-0.122893
+O	-2.8121413339	 2.5881469585	 1.0151865404	-0.272852
+C	-2.5566610187	 1.5081967134	 0.0947089819	-0.101933
+C	-2.4524255518	-0.7071425545	 1.3962707354	 0.276063
+C	-2.9023258676	-1.8103197669	 1.5567145585	-0.445641
+H	 1.9090128603	-0.5518821818	 0.818568552	 0.108244
+H	 1.6926424624	-0.5844578012	-0.952441198	 0.131723
+H	 1.8755107044	 0.9750462193	-0.1035400182	 0.106075
+H	-0.0077144141	 0.2251402076	 2.1286316876	 0.096018
+H	-0.0813423246	 1.7348782823	 1.1835073421	 0.096249
+H	-3.4417781736	 1.4338143267	 2.6714739903	 0.109871
+H	-1.8385257412	 2.2136302164	 2.8552973061	 0.106427
+H	-3.4810929404	 1.0936882095	-0.3235348619	 0.108968
+H	-1.8752386853	 1.7923257748	-0.7123849644	 0.119808
+H	-3.2927403117	-2.7890121622	 1.6882983781	 0.195035
+19
+0 5944	2.2586293	1.1756122	0.9063933	2.4075	77.38	-0.25219	0.02231	0.2745	1339.9109	0.15452	-422.500366	-422.490455	-422.489511	-422.535812	35.423
+O	 1.3398235078	 0.7380341352	-0.0303994946	-0.418544
+C	 0.3462041402	-0.1118112427	 0.5234424905	-0.07302
+C	-0.9269230195	 0.6553077884	 0.8937604416	-0.256435
+C	-2.0050924734	-0.2286668899	 1.5254913694	 0.213905
+C	-3.1644968103	 0.5233175454	 2.2475661139	-0.333829
+C	-2.628023088	-0.1485887546	 3.5239208997	-0.065342
+O	-1.5464987754	-0.7745279416	 2.8013492562	-0.308052
+C	-2.4486043248	-1.2865076057	 0.6200824205	 0.345435
+C	-2.8319290602	-2.146278602	-0.1279174323	-0.478858
+H	 1.6514449575	 1.3205565883	 0.6693301546	 0.28044
+H	 0.1222564429	-0.8545901977	-0.2474335685	 0.124365
+H	 0.7179171567	-0.6525252587	 1.4048656724	 0.110142
+H	-0.6795101688	 1.4420450915	 1.6182597937	 0.086698
+H	-1.3339824025	 1.1434360822	 0.0007567155	 0.114472
+H	-3.0714248569	 1.6099329474	 2.2126645354	 0.115502
+H	-4.1668516096	 0.2300925877	 1.9381318518	 0.124734
+H	-2.2584741883	 0.5234375396	 4.3067184496	 0.105883
+H	-3.29547237	-0.8902564856	 3.9779832815	 0.110842
+H	-3.1628300674	-2.9120696072	-0.785557221	 0.201661
+19
+0 5945	2.1365002	1.1789224	0.8815542	2.2318	77.19	-0.25301	0.03701	0.29002	1353.1814	0.154676	-422.497169	-422.487273	-422.486329	-422.532451	35.242
+O	 1.5277654645	 0.9201689667	-0.1907223217	-0.418455
+C	 0.236908394	 0.4752399114	 0.1975993555	-0.086105
+C	-0.7742372401	 1.2077535746	-0.6762606491	-0.243684
+C	-2.231971492	 0.7796269333	-0.4401757862	 0.070178
+C	-3.2011656958	 1.3345824896	-1.5296445299	-0.113597
+O	-3.2843562243	 0.05287374	-2.1755888694	-0.267663
+C	-2.5976885779	-0.5930539152	-1.0908691332	-0.106691
+C	-2.6565898312	 0.9689630375	 0.9362381611	 0.281694
+C	-3.0216179584	 1.1290566287	 2.0712043455	-0.457375
+H	 2.1744598762	 0.5068012918	 0.3883421217	 0.28743
+H	 0.1341638903	-0.6141730331	 0.0609546835	 0.085113
+H	 0.0359936738	 0.6917177677	 1.2566335157	 0.103468
+H	-0.6779718388	 2.2846178431	-0.4986346032	 0.115644
+H	-0.5261205977	 1.0296238168	-1.7287213809	 0.119027
+H	-4.169705562	 1.6662913516	-1.137277809	 0.107917
+H	-2.7831097836	 2.1061387057	-2.1862012112	 0.109439
+H	-3.2689890211	-1.2107696547	-0.4826291293	 0.108202
+H	-1.7529421952	-1.198749908	-1.4384099127	 0.108352
+H	-3.3444217006	 1.2695890624	 3.0731844928	 0.197108
+19
+0 5946	4.0469753	1.0413688	0.9889038	1.3023	75.82	-0.22522	0.08029	0.30551	1288.7469	0.156092	-422.472631	-422.464299	-422.463355	-422.506212	31.175
+C	 0.072604994	-0.3327901765	-0.61556204	-0.388784
+C	 1.1102234505	 0.0710514153	 0.4149654527	-0.059258
+O	 1.4469442573	 1.4455352406	 0.1931469529	-0.285762
+C	 2.3540070665	 1.9396319259	 1.0719910231	 0.369386
+C	 2.6350517965	 3.3660087106	 1.4822642449	-0.184462
+C	 4.1184408228	 3.2429546557	 1.1437521623	-0.227833
+C	 3.9212432037	 1.7210296123	 1.3625480468	-0.015906
+O	 3.6444884429	 1.6058525732	 2.7824336573	-0.280554
+C	 2.3931860664	 2.2365506812	 2.5362507003	-0.013106
+H	-0.8255831608	 0.2837980166	-0.5196684137	 0.129084
+H	 0.466486335	-0.2099376411	-1.6283661802	 0.129568
+H	-0.2090360365	-1.3808653164	-0.4773760977	 0.119194
+H	 0.7261026133	-0.0483320417	 1.4374753358	 0.103357
+H	 2.0149429228	-0.5471953064	 0.3263939745	 0.102139
+H	 1.977142414	 4.2224457219	 1.4108764369	 0.096355
+H	 4.3099608077	 3.4815163825	 0.094574499	 0.107916
+H	 4.8553305567	 3.7249251835	 1.793226935	 0.101554
+H	 4.61168311	 0.9672099967	 0.9903802853	 0.087235
+H	 1.6509064973	 2.2821361462	 3.3215429647	 0.109876
+19
+0 5947	4.0341825	1.0176793	0.9693206	2.1183	76.07	-0.22968	0.07796	0.30764	1297.7239	0.15644	-422.470466	-422.462122	-422.461177	-422.504125	30.731
+C	 1.6185347857	 0.5671230664	 0.8228768588	-0.218968
+O	 0.2602008147	 0.7149215076	 1.1605236884	-0.234858
+C	-0.6016624155	 0.034219413	 0.266968747	-0.250692
+C	-2.0048281175	 0.2045994388	 0.7188757678	 0.327897
+C	-2.951974775	 1.4059928568	 0.7637663321	-0.158534
+C	-3.2661356482	 1.1599671927	 2.2393033291	-0.229538
+C	-2.8619052503	-0.3060492847	 1.9453008854	 0.021926
+O	-3.906603707	-0.7807177839	 1.0446552208	-0.296532
+C	-3.3418438569	 0.0904026749	 0.0677609319	 0.019289
+H	 1.8399379637	 0.97913252	-0.1749736477	 0.102932
+H	 2.2022897738	 1.1141386959	 1.5670519754	 0.127987
+H	 1.9312476231	-0.4894501755	 0.8317361826	 0.103885
+H	-0.492524007	 0.4338968991	-0.7570318344	 0.089932
+H	-0.333330746	-1.0357942931	 0.2229467878	 0.095263
+H	-2.858607418	 2.3435277674	 0.2306316792	 0.091973
+H	-2.5379793406	 1.6551776303	 2.8855162749	 0.114178
+H	-4.2864039818	 1.3167472763	 2.6029192542	 0.098435
+H	-2.591713952	-1.0250489431	 2.7155334168	 0.088481
+H	-3.6438787452	-0.0063531289	-0.9670692503	 0.106947
+19
+0 5948	3.9755802	0.9584045	0.9139554	0.8862	74.87	-0.22776	0.0753	0.30306	1332.661	0.156776	-422.486163	-422.477759	-422.476815	-422.519836	31.309
+O	 1.5316973659	 0.8910422702	-0.1886246151	-0.418841
+C	 0.2277362863	 0.4553728433	 0.1627372958	-0.066324
+C	-0.7622066618	 1.2002810558	-0.7301343702	-0.352715
+C	-2.1862107732	 0.8478742725	-0.4492910451	 0.315525
+C	-3.486871127	 1.0180510554	-1.2377202896	-0.183945
+C	-4.1750946658	 1.7089253692	-0.062040464	-0.231421
+C	-3.1458780962	 0.9509073326	 0.8130455405	 0.018051
+O	-3.5257370329	-0.4459935818	 0.6664280502	-0.294471
+C	-3.0501364237	-0.3485602436	-0.6749321698	 0.038059
+H	 2.164376987	 0.4280801577	 0.3679680306	 0.286713
+H	 0.1106619496	-0.629723358	 0.0171586644	 0.093574
+H	 0.005632317	 0.6682371334	 1.220772656	 0.089006
+H	-0.5993481459	 2.2787454	-0.6074870064	 0.111353
+H	-0.5303205125	 0.9719866857	-1.7777540934	 0.113036
+H	-3.6001149112	 1.2004467198	-2.2992494916	 0.090015
+H	-3.9874417634	 2.7857917922	-0.066556824	 0.103063
+H	-5.230396196	 1.5012569556	 0.1413897142	 0.100026
+H	-2.9070402563	 1.2302818253	 1.8375574164	 0.084388
+H	-2.9214754098	-1.2513585253	-1.2579769588	 0.104908
+19
+0 5949	3.0282667	1.0464634	0.9155387	2.7634	76.59	-0.25115	-0.00708	0.24406999999999998	1356.9437	0.154995	-422.507882	-422.498778	-422.497834	-422.542594	32.929
+C	 1.8739326927	-0.6272716243	-1.4472130986	-0.384318
+C	 1.3696025521	 0.1340382975	-0.2193002534	-0.175121
+C	 2.0958768559	 1.4737377055	-0.017691424	-0.342165
+C	 1.6022189174	 2.1996871665	 1.1921251324	 0.294649
+C	 0.2359005836	 2.8771631374	 1.4978428115	-0.264064
+C	 1.1921211053	 3.3380530562	 2.6193001634	-0.07789
+O	 2.2578596457	 3.4895426479	 1.5944141717	-0.342196
+C	 1.7105274741	 1.8795491364	 2.713836346	 0.443031
+O	 2.1053351489	 1.0585585284	 3.4749130328	-0.318703
+H	 1.3427858685	-1.5759098168	-1.5689595172	 0.117057
+H	 1.7298900428	-0.0432441053	-2.3628370184	 0.116796
+H	 2.9426495777	-0.8514118648	-1.3618036592	 0.121261
+H	 0.2919677412	 0.3170407031	-0.3162253828	 0.101905
+H	 1.4989208171	-0.4809556515	 0.6791282521	 0.123517
+H	 3.1727586898	 1.3024442064	 0.1002975845	 0.123837
+H	 1.9698169571	 2.1122133095	-0.9009869219	 0.113947
+H	-0.0075951284	 3.6750890181	 0.7938808278	 0.119557
+H	-0.6210937711	 2.2496052241	 1.7568379704	 0.11347
+H	 1.0823910096	 4.1322200558	 3.3537470929	 0.115432
+19
+0 5950	3.0555016	1.1439023	0.9873864	2.2904	76.82	-0.2275	0.00921	0.23671	1280.3787	0.155845	-422.519184	-422.510298	-422.509354	-422.553601	32.401
+C	 2.4874808717	-0.7684972433	 0.7945373383	-0.387874
+C	 1.9433259133	 0.0723912212	-0.3448738191	-0.076875
+O	 2.031758262	 1.4495310498	 0.0390347815	-0.297573
+C	 1.5056251336	 2.3160677447	-0.8697858732	 0.317548
+C	 1.3365952361	 3.8474990902	-0.6317310878	-0.288183
+C	 0.8016462591	 3.6451413704	-2.0923799047	-0.181086
+C	 2.0306009728	 2.707804602	-2.3164827506	-0.300323
+C	 0.1049235211	 2.3963756067	-1.5235490799	 0.391326
+O	-0.9330072687	 1.8106261692	-1.5739668727	-0.339068
+H	 2.4456375585	-1.8299654003	 0.5332368012	 0.11956
+H	 3.5271950926	-0.5034084189	 1.0064390973	 0.127801
+H	 1.9000208525	-0.6108836685	 1.7032307581	 0.13199
+H	 2.5272352954	-0.0906050249	-1.2629707366	 0.097546
+H	 0.8976547536	-0.1803417736	-0.5621499021	 0.127844
+H	 0.6249949595	 4.162610501	 0.1331495631	 0.117332
+H	 2.2785249181	 4.3970895446	-0.5718462021	 0.112165
+H	 0.4169946161	 4.401284668	-2.7675267706	 0.103734
+H	 1.9621511697	 1.9660898157	-3.113948141	 0.112622
+H	 2.9949126631	 3.2202191558	-2.3074183692	 0.111513
+19
+0 5951	3.4358133	1.0172259	0.9016422	2.4191	77.44	-0.24088	0.01313	0.25401	1348.7992	0.156107	-422.511203	-422.50231	-422.501366	-422.545584	32.019
+C	 1.5637181661	 0.7403590683	 0.0739678139	-0.220788
+O	 0.1870930971	 0.9940189607	 0.2308584456	-0.240363
+C	-0.4702128442	-0.003419424	 0.9845796606	-0.211782
+C	-1.9202569736	 0.3518779634	 1.0964339845	 0.192196
+C	-2.564535906	 1.6329520392	 1.738530039	-0.259625
+C	-3.8090593509	 0.823306793	 1.2368769838	-0.178227
+C	-2.969847375	 0.5439014747	-0.0568306372	-0.259619
+C	-3.0667376026	-0.3929514566	 1.8070131376	 0.419896
+O	-3.255674991	-1.3799818057	 2.4486876775	-0.332093
+H	 1.7465977516	-0.2094437721	-0.4530361966	 0.106352
+H	 1.9815089975	 1.5587835148	-0.5170491462	 0.128608
+H	 2.084540803	 0.6988714917	 1.0436719132	 0.106352
+H	-0.3624672991	-0.9907233289	 0.5033070223	 0.098799
+H	-0.0263797471	-0.0876204676	 1.9915171256	 0.098798
+H	-2.4491440838	 1.7721009085	 2.8153256505	 0.11063
+H	-2.3690579225	 2.5516089551	 1.1820572692	 0.117149
+H	-4.8581442829	 1.0989341071	 1.3065284017	 0.095952
+H	-3.2322487802	-0.3320545514	-0.6534983694	 0.110626
+H	-2.7886503764	 1.4241650799	-0.6765933458	 0.117139
+19
+0 5952	3.0503802	1.045273	0.9158669	4.1376	76.07	-0.24	0.01085	0.25085	1322.5908	0.15663	-422.526528	-422.517675	-422.516731	-422.560759	32.505
+O	 0.9789346138	-0.8425075219	 1.566127335	-0.413486
+C	 0.631481048	 0.5311925512	 1.5519640576	-0.068098
+C	-0.8331430876	 0.7629074808	 1.1568476829	-0.361841
+C	-1.1891365563	 2.2224006269	 1.0780823631	 0.203709
+C	-2.5432139637	 2.8779721299	 0.6186931475	-0.279788
+C	-1.6548957891	 4.1208424626	 0.9625737348	-0.172217
+C	-1.1978459782	 3.3102678218	 2.2209718343	-0.266976
+C	-0.5454837544	 3.3452249033	 0.2396138637	 0.437892
+O	 0.3419151715	 3.506378215	-0.5412887674	-0.336372
+H	 0.4670871736	-1.2701610314	 2.2601282544	 0.280416
+H	 0.8390165363	 1.0075577196	 2.5234774331	 0.087647
+H	 1.2879606643	 1.0015708764	 0.8136592198	 0.140365
+H	-1.0082651186	 0.2900378478	 0.1833347818	 0.120947
+H	-1.4923023161	 0.2571184125	 1.8768145645	 0.091088
+H	-2.8446526741	 2.7388513379	-0.421549126	 0.113868
+H	-3.374986458	 2.7157270213	 1.309202845	 0.10613
+H	-1.9252626561	 5.1721612337	 0.9081129816	 0.096734
+H	-0.244396408	 3.5798320162	 2.67928474	 0.114186
+H	-1.9820563773	 3.1630792367	 2.9683046943	 0.105797
+19
+0 5953	4.4518447	1.0483022	0.9789914	1.9013	76.4	-0.23193	0.00211	0.23404	1271.3052	0.156121	-422.496621	-422.488246	-422.487302	-422.529969	31.478
+C	 1.3646495527	-0.1327314308	-0.013024971	-0.220532
+O	-0.022512622	-0.2064786635	 0.2119960471	-0.232752
+C	-0.480580755	 0.7628407771	 1.1229705073	-0.202692
+C	-1.9731708046	 0.6679085175	 1.2559331739	 0.384742
+C	-2.7907229607	-0.6646114071	 1.233027942	-0.252443
+C	-3.8369695218	 0.3960942169	 0.7814965189	 0.008411
+O	-2.7511983709	 1.0827435366	 0.0794391878	-0.314815
+C	-3.9758463083	 1.2575236978	 2.0538501499	-0.087919
+C	-2.6970449555	 1.4458970514	 2.380851493	-0.127602
+H	 1.9394069348	-0.2938834506	 0.9134202776	 0.10179
+H	 1.621031293	-0.9174402755	-0.7285564735	 0.129321
+H	 1.6589170716	 0.8420163794	-0.432965265	 0.107357
+H	-0.0192337305	 0.6170404201	 2.1159300775	 0.087987
+H	-0.216678304	 1.7792952546	 0.7843405936	 0.104103
+H	-2.4723610092	-1.322918745	 0.4236998322	 0.122569
+H	-2.9512661289	-1.1974244024	 2.1724049941	 0.093228
+H	-4.7075691697	 0.1741475836	 0.1665415131	 0.080557
+H	-4.8865640217	 1.5876447281	 2.5312065054	 0.111052
+H	-2.2412795394	 1.9778157516	 3.2033717861	 0.107637
+19
+0 5954	4.3896045	0.9803985	0.9188804	1.6713	75.	-0.23567	-0.00043	0.23523999999999998	1305.5386	0.156666	-422.513748	-422.505358	-422.504414	-422.547114	32.012
+O	 1.465001119	 0.8252374724	 0.021390489	-0.419449
+C	 0.094588881	 0.5926387858	 0.3073872996	-0.06766
+C	-0.8326490014	 1.2398269985	-0.7259178419	-0.349995
+C	-2.2973665711	 0.9909995924	-0.4772078836	 0.382668
+C	-3.0443484005	 1.1739456556	 0.8914559044	-0.260103
+C	-3.9246528617	 0.1224817676	 0.15779741	 0.014806
+O	-2.6938894978	-0.4309170002	-0.4097709089	-0.320114
+C	-4.4705415454	 0.9475162196	-1.0246285787	-0.087979
+C	-3.3599353823	 1.5432839143	-1.4577127788	-0.121325
+H	 1.6812402712	 0.3477684464	-0.7857726711	 0.281495
+H	-0.1328531569	-0.4793666197	 0.3836299904	 0.112434
+H	-0.0774969735	 1.0326120633	 1.2952697331	 0.111159
+H	-0.6483732966	 2.3203451399	-0.7543654922	 0.113095
+H	-0.5862543301	 0.8503968074	-1.7238174569	 0.102712
+H	-2.4980174815	 0.7494436525	 1.7371556834	 0.107676
+H	-3.4740477451	 2.1496477928	 1.1268376711	 0.098333
+H	-4.5583675168	-0.6038779652	 0.6639681504	 0.081196
+H	-5.4920018749	 1.0057555607	-1.3701947156	 0.111874
+H	-3.1891570256	 2.2372380261	-2.2679667238	 0.109177
+19
+0 5955	5.0461298	0.802863	0.7590478	3.365	77.23	-0.24221	-0.02574	0.21647	1538.1504	0.154747	-422.537107	-422.527932	-422.526987	-422.571736	33.284
+C	 4.3947272374	 0.3787846159	 1.0684063759	-0.384361
+C	 3.0507187867	 0.9551653947	 0.6181347534	-0.166297
+C	 3.2015787301	 2.0091895926	-0.4910276689	-0.313063
+C	 1.8885052099	 2.5734882272	-0.9339528196	 0.434937
+C	 0.9216852057	 3.5000917104	-0.1654901126	-0.418056
+C	 0.5387987743	 4.0896769807	-1.5577147034	 0.43241
+O	-0.0838424465	 5.0471539344	-1.905988178	-0.297344
+C	 1.4623006193	 3.1034578643	-2.2623657629	-0.190692
+O	 1.050012295	 1.7993020554	-1.7910558541	-0.278388
+H	 4.2606025358	-0.3693129954	 1.8552859028	 0.117952
+H	 4.9177402745	-0.103760449	 0.2354595903	 0.118944
+H	 5.0515230606	 1.1627080116	 1.4617985042	 0.11593
+H	 2.4010203003	 0.1509114803	 0.2538717509	 0.117761
+H	 2.5347953626	 1.4042334286	 1.4762312662	 0.1034
+H	 3.8396821467	 2.8298476921	-0.1382071792	 0.107335
+H	 3.7003152678	 1.5648562191	-1.3601805788	 0.114132
+H	 0.1369544906	 2.9968381405	 0.4022381551	 0.135006
+H	 1.4010797579	 4.2667907401	 0.451185086	 0.13139
+H	 1.9690417613	 3.1541130663	-3.2192535073	 0.119004
+19
+0 5956	4.1451861	0.8786489	0.7996129	4.44	76.76	-0.27138	0.00491	0.27629000000000004	1479.0728	0.155878	-422.561597	-422.552644	-422.5517	-422.595947	32.711
+C	 1.7824097272	-0.6915588805	-1.5874667276	-0.386308
+C	 1.5875892933	 0.0051875081	-0.239212233	-0.163591
+C	 2.0077349014	 1.4835847442	-0.2741529671	-0.300277
+C	 1.7906448476	 2.1770289767	 1.030114939	 0.485788
+C	 2.6486388192	 2.2354838694	 2.2394790396	-0.327234
+C	 2.1701247493	 3.5385769444	 1.5703773398	-0.347583
+C	 0.7008660788	 3.6749009809	 1.8544593058	 0.465317
+O	-0.0611715751	 4.5090242261	 2.2195282418	-0.326328
+O	 0.4012523447	 2.374884688	 1.4605785491	-0.299869
+H	 1.4707434412	-1.7390670792	-1.5394200272	 0.118454
+H	 1.1943026674	-0.2048646173	-2.3732660937	 0.119935
+H	 2.8328333639	-0.6701155683	-1.8990492992	 0.114306
+H	 0.5364580373	-0.0547883372	 0.0647447454	 0.123862
+H	 2.1636481231	-0.5134637237	 0.5368533839	 0.101523
+H	 3.0699338833	 1.5664988068	-0.5359974346	 0.108009
+H	 1.4447797384	 2.011031005	-1.0540421836	 0.117241
+H	 2.2516721567	 1.9443416714	 3.2064935812	 0.137862
+H	 3.7059479754	 2.034686141	 2.0916518381	 0.130523
+H	 2.842465207	 4.3029131541	 1.2091985021	 0.128371
+19
+0 5957	4.6562076	0.8679114	0.8138796	3.8332	77.94	-0.24092	-0.00953	0.23138999999999998	1455.2423	0.154922	-422.534025	-422.524908	-422.523964	-422.568679	33.212
+C	 2.8164847866	-0.1318789903	-1.7177312335	-0.387635
+C	 1.9557137724	 0.301577137	-0.5454999746	-0.063847
+O	 2.2794969397	 1.6577605459	-0.2344720997	-0.290753
+C	 1.5759082056	 2.1672483827	 0.8250619908	 0.457624
+C	 1.9409770022	 1.9222663544	 2.2461318293	-0.339299
+C	 2.0277987912	 3.3570315413	 1.6967508884	-0.26574
+C	 0.6438400787	 3.9213995388	 1.5843340119	 0.436007
+O	 0.1431803725	 4.9648488858	 1.8930127142	-0.313931
+C	 0.1396629966	 2.7221812871	 0.7320461573	-0.433144
+H	 2.5949292132	-1.1688457923	-1.9866406703	 0.119595
+H	 2.6269207142	 0.5012938993	-2.5888642068	 0.131562
+H	 3.877563881	-0.0573081753	-1.4637972009	 0.129573
+H	 0.8870408304	 0.2215560602	-0.7949986322	 0.09987
+H	 2.1375481877	-0.3320612447	 0.3351420885	 0.097578
+H	 1.1997394583	 1.6613907581	 2.9964328437	 0.122113
+H	 2.9207456869	 1.481148253	 2.399738182	 0.129957
+H	 2.9631290225	 3.9016386477	 1.7237107796	 0.117683
+H	-0.6785166756	 2.1133421725	 1.1271312682	 0.115947
+H	-0.1100019939	 3.0699871489	-0.2749629561	 0.13684
+19
+0 5958	4.5495533	0.8506803	0.7929193	3.6218	78.16	-0.24062	-0.0086	0.23202	1473.5654	0.155424	-422.531482	-422.52239	-422.521446	-422.56607	32.789
+C	 1.3692672252	-0.186150688	-0.062049044	-0.22236
+O	-0.0313571538	-0.074980231	 0.0345863607	-0.234296
+C	-0.4452846964	 0.6369946683	 1.1829038037	-0.18315
+C	-1.9351540113	 0.7585072003	 1.154934159	 0.359981
+C	-2.8653994191	-0.2742878454	 1.6782274243	-0.3161
+C	-2.8712543953	 1.0964608974	 2.35142229	-0.236168
+C	-3.5839707209	 2.0777454594	 1.4690539782	 0.428383
+O	-4.3806559736	 2.9480485682	 1.6772305927	-0.317537
+C	-2.7204724084	 1.7090593948	 0.2323211407	-0.412712
+H	 1.7965036396	-0.7319464242	 0.7943725885	 0.104453
+H	 1.5903676277	-0.7385196719	-0.9782198744	 0.130729
+H	 1.8553358624	 0.801083756	-0.1147651775	 0.105677
+H	-0.1237309439	 0.1154920045	 2.1012896371	 0.087346
+H	 0.0201632539	 1.6379546244	 1.1985056902	 0.09046
+H	-3.7203004333	-0.5981770395	 1.0915767816	 0.124406
+H	-2.4243971154	-1.0549808893	 2.2903205577	 0.126878
+H	-2.6578692998	 1.2040357821	 3.4081877689	 0.109588
+H	-3.2177234822	 1.2606604088	-0.6318350529	 0.123664
+H	-2.1491511654	 2.5828326654	-0.0959070043	 0.130757
+19
+0 5959	4.5068322	0.7985798	0.7488779	2.1471	77.1	-0.24179	-0.00906	0.23273	1513.5331	0.155971	-422.546557	-422.537502	-422.536558	-422.580929	33.275
+O	-2.1117833512	-1.4243925722	 1.2588477122	-0.413708
+C	-1.0707429202	-0.4653067625	 1.2031604157	-0.05427
+C	-1.4294815815	 0.8376583357	 1.9317189001	-0.336007
+C	-0.3491893719	 1.8773308892	 1.827670954	 0.367609
+C	-0.1970101259	 2.8150293167	 0.6828723079	-0.323895
+C	-0.4722117125	 3.4151355347	 2.0601175999	-0.236954
+C	 0.774974637	 3.3591106959	 2.8831981536	 0.43218
+O	 1.3062643479	 4.1259514358	 3.63549332	-0.318874
+C	 0.9843896064	 1.8451727587	 2.604522525	-0.422122
+H	-2.223875549	-1.6879944916	 2.1777803918	 0.282998
+H	-0.1264341239	-0.8705733366	 1.6004363144	 0.093566
+H	-0.9095970337	-0.2604342788	 0.1396186083	 0.117665
+H	-2.3657942159	 1.2220920993	 1.5111210298	 0.112649
+H	-1.625055973	 0.6131481971	 2.9901484422	 0.093602
+H	 0.7672288079	 2.9668737772	 0.2052646489	 0.122509
+H	-1.043109651	 2.8904706609	 0.0062170564	 0.126968
+H	-1.3428912455	 4.0354168036	 2.2362881056	 0.109622
+H	 1.8785632756	 1.5414921761	 2.0523187706	 0.119109
+H	 0.9375665402	 1.2888481708	 3.5462091638	 0.127353
+19
+0 5960	4.2180956	0.945825	0.8849636	3.1663	75.05	-0.24633	0.04535	0.29168	1384.4383	0.154594	-422.462718	-422.454056	-422.453112	-422.496567	32.336
+C	 1.44396977	-0.9726284822	-0.8457425088	-0.384354
+C	 1.1452265794	 0.0275433914	 0.272963569	-0.162329
+C	 1.708230472	 1.4286670454	-0.0166617929	-0.329243
+C	 1.4085291465	 2.4039083322	 1.0744032383	 0.432746
+O	 2.1196140234	 2.3338957329	 2.3128297785	-0.261188
+C	 2.0919539553	 3.5808342937	 1.6158005989	-0.124286
+C	 0.6988562255	 4.2708574435	 1.9053490616	-0.010926
+O	-0.0499913038	 3.4189092764	 2.7687637187	-0.210049
+C	 0.0053836811	 3.0963242005	 1.3810560004	-0.065456
+H	 1.0350936213	-1.9606008282	-0.6136985416	 0.116197
+H	 1.0090991384	-0.6471782244	-1.7976065396	 0.112889
+H	 2.5230858402	-1.0861147009	-0.9975468736	 0.117208
+H	 0.0609341824	 0.0976708025	 0.4272296164	 0.100963
+H	 1.5659047739	-0.3302175286	 1.2195593703	 0.120699
+H	 2.7952488605	 1.3746734427	-0.1494983532	 0.112327
+H	 1.2910455131	 1.8090648817	-0.9592063621	 0.101692
+H	 3.032177953	 4.0540453335	 1.3593621347	 0.110279
+H	 0.4568213508	 5.3256537153	 1.8743140036	 0.112764
+H	-0.9235736931	 2.9939986026	 0.8330232715	 0.110068
+19
+0 5961	4.1883529	1.0028679	0.9385278	1.2515	75.45	-0.23004	0.06376	0.2938	1320.8581	0.154809	-422.460072	-422.451467	-422.450523	-422.49382	32.371
+C	 0.2759777517	-0.4317375334	-0.5891094716	-0.388189
+C	 1.2419540418	 0.132263451	 0.4368124505	-0.060836
+O	 1.3828686304	 1.5327139605	 0.1929085845	-0.286318
+C	 2.2289818244	 2.1609091511	 1.0712518	 0.415291
+C	 3.7313476855	 2.099588551	 1.0093059044	-0.347038
+C	 3.0159565494	 3.4306980803	 0.8456005064	-0.20014
+C	 2.4937515905	 3.9615107563	 2.2189567005	 0.027072
+O	 2.8677665884	 3.0510339406	 3.2681916497	-0.236782
+C	 1.7319357148	 2.7416963423	 2.4505262034	-0.063217
+H	 0.14446619	-1.5069614272	-0.4357286713	 0.117368
+H	-0.7009429571	 0.0529837575	-0.5065729367	 0.127546
+H	 0.6541748721	-0.2687874124	-1.6023332101	 0.128115
+H	 0.868623637	-0.0346205088	 1.4585393487	 0.09491
+H	 2.2256056649	-0.3539967438	 0.364981894	 0.098898
+H	 4.3351098387	 1.8984125065	 1.8852286361	 0.134812
+H	 4.1060933909	 1.6993673911	 0.0721665357	 0.115796
+H	 3.0905968161	 4.033241435	-0.0491178315	 0.103986
+H	 2.3055564898	 4.9917444488	 2.4944386392	 0.110073
+H	 0.7781111707	 2.5600589436	 2.9319265581	 0.108654
+19
+0 5962	3.7758413	1.0590254	0.9586936	2.2308	75.6	-0.22876	0.06373	0.29248999999999997	1289.3542	0.155261	-422.458278	-422.449691	-422.448747	-422.491968	31.935
+C	 1.41036281	 0.5099733408	 0.0494504681	-0.220291
+O	 0.1060880016	 0.9246938752	 0.3764200872	-0.237918
+C	-0.6231818028	-0.0623738932	 1.0840996037	-0.188724
+C	-2.0121539304	 0.4310243351	 1.307872913	 0.308466
+C	-2.8676760545	 0.082241578	 2.4967736714	-0.347746
+C	-2.5210065091	 1.5255666923	 2.2419950116	-0.142052
+C	-3.3537606383	 2.1053376547	 1.0554489151	 0.029317
+O	-4.2579076364	 1.1019994247	 0.5649913562	-0.244725
+C	-2.8807977364	 1.058358829	 0.1622740727	-0.027203
+H	 1.4079886403	-0.3919228669	-0.5836061167	 0.103477
+H	 1.8857403982	 1.3258276471	-0.5004255992	 0.127349
+H	 2.0085363406	 0.2925867644	 0.9489798069	 0.103054
+H	-0.6357101401	-1.0033540029	 0.5039018785	 0.088136
+H	-0.1375835532	-0.2877954194	 2.0491434866	 0.087494
+H	-3.8813184916	-0.2689766209	 2.3523321883	 0.137231
+H	-2.3312897209	-0.3715757267	 3.3246143217	 0.111017
+H	-1.948730759	 2.1331650169	 2.9299751456	 0.097312
+H	-3.6098569829	 3.1426781364	 0.8802079944	 0.108293
+H	-2.6557835251	 1.0546164052	-0.8968562949	 0.107511
+19
+0 5963	3.9319577	1.0327329	0.9407386	1.5629	75.75	-0.22772	0.0621	0.28982	1316.4562	0.155178	-422.459699	-422.45105	-422.450106	-422.4936	32.046
+C	 1.4422154307	-0.1650369286	 0.35733712	-0.220281
+O	 0.1583177667	-0.1815028969	 0.935459102	-0.237027
+C	-0.6472142849	 0.8950133778	 0.5064373488	-0.192667
+C	-2.006781178	 0.7272193613	 1.1000568745	 0.415587
+O	-2.873571511	 1.8707120853	 1.123435954	-0.295346
+C	-2.6202475644	 1.1613613031	 2.3505614768	-0.056401
+C	-3.5079306703	-0.1215497831	 2.398881498	-0.083976
+C	-4.3436467633	-0.2648671845	 1.1539507515	-0.291167
+C	-2.8728203913	-0.5769520311	 1.0916349142	-0.125048
+H	 1.9996102513	 0.7461452262	 0.6260359608	 0.106495
+H	 1.9824320438	-1.0348126757	 0.7382948802	 0.129328
+H	 1.3960095391	-0.226351535	-0.7415504789	 0.106524
+H	-0.2298788001	 1.8658849872	 0.8186754626	 0.101571
+H	-0.7188336043	 0.9071302719	-0.5960302432	 0.09479
+H	-2.2369279128	 1.7336343612	 3.1869508987	 0.106166
+H	-3.6699301919	-0.6979522104	 3.2994077113	 0.094218
+H	-4.9923649764	-1.1350909365	 1.143020003	 0.110714
+H	-4.7387363987	 0.613283857	 0.6591040621	 0.134509
+H	-2.4656746143	-1.5488509593	 0.8513917137	 0.102008
+19
+0 5964	4.0284428	0.9227603	0.8608151	2.2163	74.47	-0.22854	0.05936	0.2879	1372.9543	0.155786	-422.472403	-422.463815	-422.462871	-422.506063	32.439
+O	 1.3373795563	 0.7135205576	 0.0365037867	-0.415951
+C	 0.32094297	-0.1004316498	 0.5980865111	-0.053096
+C	-0.9164195685	 0.7019920467	 1.0230229135	-0.338608
+C	-2.0370863408	-0.1708458825	 1.5108686551	 0.331742
+C	-2.166601557	-0.7284668822	 2.9057227899	-0.331288
+C	-3.2509873054	 0.1718033423	 2.3687388312	-0.176675
+C	-4.1567625562	-0.5836566393	 1.3469342473	 0.024168
+O	-3.7244433481	-1.9485501879	 1.2382997504	-0.238702
+C	-3.0026959985	-0.9324333043	 0.5298334798	-0.038625
+H	 1.6431740658	 1.3166031102	 0.7215126419	 0.280681
+H	 0.0509143393	-0.8170100438	-0.1853961541	 0.113879
+H	 0.6947701646	-0.6860949732	 1.4522447025	 0.093689
+H	-0.6338042539	 1.4078339188	 1.8164994255	 0.088897
+H	-1.2444818863	 1.3087067965	 0.168776695	 0.106596
+H	-2.3650489502	-1.7804601754	 3.0669927502	 0.136595
+H	-1.5177486968	-0.2605839538	 3.6401798961	 0.107865
+H	-3.5088181178	 1.1251548945	 2.8113596987	 0.093403
+H	-5.1849087359	-0.3612892768	 1.0895205271	 0.109058
+H	-2.8795802606	-1.0525613775	-0.5403891779	 0.106372
+19
+0 5965	4.1465859	0.9451211	0.8856982	1.3134	74.73	-0.22817	0.06239	0.29056000000000004	1355.7348	0.155668	-422.477234	-422.468585	-422.467641	-422.51099	32.55
+O	 1.4717028839	 0.7420162707	-0.1467135666	-0.420142
+C	 0.1238813934	 0.4211912942	 0.1595652778	-0.072367
+C	-0.7651522306	 1.2690641048	-0.74884655	-0.31262
+C	-2.2182090868	 1.0642527662	-0.4729969792	 0.425752
+O	-2.8426220866	-0.1586564637	-0.9155255124	-0.291703
+C	-3.4196659657	 1.100624506	-1.3003827394	-0.073238
+C	-4.2701492994	 1.6634884732	-0.1189562334	-0.087383
+C	-4.2180014475	 0.7536369164	 1.0789091916	-0.286984
+C	-3.025818038	 1.6153614911	 0.7577874506	-0.132422
+H	 2.0425605038	 0.1781345266	 0.3829630167	 0.286745
+H	-0.0898731199	-0.6437791895	-0.0145979945	 0.105524
+H	-0.1095350857	 0.6360115373	 1.2149234586	 0.090637
+H	-0.5081679179	 2.3253594486	-0.6043639836	 0.113534
+H	-0.5529848965	 1.0188785566	-1.7931790581	 0.118669
+H	-3.564165916	 1.2802352129	-2.3595199035	 0.10471
+H	-4.9830283959	 2.4697891498	-0.2262669853	 0.093467
+H	-4.8037648492	 1.0901964868	 1.9285131038	 0.110274
+H	-4.1673879804	-0.3194494322	 0.9458874715	 0.135339
+H	-2.6473021251	 2.3818527244	 1.4213578556	 0.092208
+19
+0 5966	4.3137805	1.0017507	0.8989596	2.3346	76.9	-0.24424	0.00322	0.24746	1340.1712	0.156052	-422.530737	-422.522054	-422.52111	-422.564531	31.899
+C	 1.3596913028	-0.1706237921	-0.0951898438	-0.220048
+O	-0.0307238152	 0.0208338962	 0.0077674505	-0.236561
+C	-0.4065372876	 0.680081152	 1.1987651756	-0.165009
+C	-1.8977158433	 0.8463971427	 1.1998671769	 0.417977
+C	-2.6000531638	 1.5553975842	 0.0409671236	-0.321741
+C	-3.8379110565	 2.1383079437	 0.6915569467	-0.080963
+C	-3.8824196489	 1.8968689104	 2.0044257153	-0.079699
+C	-2.7094595225	 1.0664844502	 2.4125064228	-0.082727
+O	-2.6665362184	-0.2248141309	 1.759358728	-0.296693
+H	 1.7477723106	-0.7956712385	 0.7244458282	 0.106778
+H	 1.5508090696	-0.6755384949	-1.045005596	 0.129316
+H	 1.9064231308	 0.7862860408	-0.0837766404	 0.10175
+H	-0.1026717091	 0.1011442968	 2.0850104054	 0.096672
+H	 0.0816338687	 1.6694901441	 1.2569263245	 0.086303
+H	-1.9612686341	 2.3323109112	-0.3979119082	 0.112078
+H	-2.8401161662	 0.8530073662	-0.7643744026	 0.13568
+H	-4.6001721158	 2.6596198123	 0.1232569165	 0.102231
+H	-4.6613544872	 2.208074731	 2.6889862317	 0.102598
+H	-2.3027639038	 1.0827881245	 3.4199615854	 0.092059
+19
+0 5967	4.3918379	0.9278608	0.8446767	1.571	75.62	-0.24393	0.00084	0.24477000000000002	1379.6027	0.156576	-422.54718	-422.538501	-422.537557	-422.580909	32.425
+O	 1.4550178276	 0.6794355566	 0.1851007671	-0.41833
+C	 0.3472736587	-0.1097836084	 0.5859504393	-0.059877
+C	-0.8916870015	 0.7367240596	 0.9064566956	-0.314483
+C	-2.0750508172	-0.1016975624	 1.3168758249	 0.414313
+C	-2.774327886	-1.032147259	 0.317875443	-0.327276
+C	-4.1858140736	-1.1335165298	 0.8584499086	-0.079372
+C	-4.3636469974	-0.384655635	 1.9496952251	-0.076466
+C	-3.0831089276	 0.2838153345	 2.3245810179	-0.077548
+O	-2.0227851987	-0.6515125622	 2.6434266512	-0.305035
+H	 1.7251750247	 1.2109128618	 0.9407713688	 0.281957
+H	 0.1413721434	-0.7767677165	-0.2581706047	 0.113045
+H	 0.5907126451	-0.743877686	 1.4513480317	 0.107739
+H	-0.6510555235	 1.4277770544	 1.7237560637	 0.094759
+H	-1.1457029437	 1.3423793837	 0.0284262984	 0.108191
+H	-2.7555376192	-0.614656563	-0.6975577278	 0.113051
+H	-2.2830275588	-2.0112421834	 0.2682166184	 0.126614
+H	-4.9341183129	-1.774582328	 0.4061193108	 0.103192
+H	-5.2800719232	-0.2867462533	 2.5178217441	 0.10323
+H	-3.0509923661	 1.2171232263	 2.879727094	 0.092297
+19
+0 5968	3.0857219	1.0555265	0.870451	4.0843	75.57	-0.2719	0.00357	0.27547	1374.9085	0.15598	-422.557733	-422.548746	-422.547801	-422.59213	32.647
+C	 2.2154379744	-0.8589588282	 0.7891088378	-0.386103
+C	 1.4241934737	-0.0013129402	-0.2005566385	-0.162537
+C	 1.9491408287	 1.4412570543	-0.2868195043	-0.312608
+C	 1.1468381863	 2.2886111401	-1.2331631809	 0.131609
+C	 1.3823022188	 2.3865184778	-2.7546794735	-0.331437
+C	 1.3589868614	 3.6145416715	-1.923324714	 0.028469
+O	-0.0264768574	 4.0053286824	-1.7024868112	-0.267367
+C	-0.2402388176	 2.8340996653	-0.9826971121	 0.440939
+O	-1.2123869977	 2.5273594629	-0.3722769754	-0.330517
+H	 2.1682763226	-0.4415330577	 1.8009249209	 0.118928
+H	 1.821472115	-1.8786965884	 0.8320033314	 0.117324
+H	 3.2723742991	-0.921554543	 0.5059966384	 0.112222
+H	 1.4587045066	-0.4552155848	-1.1987902283	 0.098803
+H	 0.3675196232	 0.0272711574	 0.0888047547	 0.128409
+H	 1.9295313492	 1.8953279034	 0.712191643	 0.113257
+H	 2.9993507693	 1.4377216597	-0.6057360751	 0.100364
+H	 2.3603039175	 2.0262920135	-3.0625608273	 0.129476
+H	 0.5775625095	 2.2065655575	-3.4604400227	 0.137967
+H	 2.1135149673	 4.3788946067	-1.804838263	 0.132801
+19
+0 5969	3.1041731	1.0611008	0.8727574	2.5508	76.69	-0.24089	-0.02493	0.21595999999999999	1380.2799	0.154802	-422.537988	-422.52874	-422.527796	-422.5728	33.285
+C	 2.0739549082	-1.470853957	-0.2215141949	-0.385612
+C	 1.4775535112	-0.3227403107	 0.5947631026	-0.169731
+C	 2.0065242001	 1.0529325906	 0.1535823601	-0.33401
+C	 1.4119059998	 2.1684946036	 0.9487817287	 0.313974
+O	 1.8640333867	 2.3870385705	 2.3126293756	-0.280831
+C	 1.8940212401	 3.4964512281	 1.4207196071	-0.05737
+C	 0.4904925259	 4.1141127771	 1.4708961416	-0.371767
+C	-0.0131628127	 2.7321081045	 0.9471265283	 0.384948
+O	-1.0617593887	 2.3321984372	 0.5367995268	-0.300254
+H	 1.683148658	-2.4368500017	 0.1118029553	 0.116983
+H	 1.837743029	-1.3658706091	-1.2863355069	 0.116136
+H	 3.1651473953	-1.5017668503	-0.125788857	 0.114556
+H	 0.3853145141	-0.3255988788	 0.50440242	 0.124261
+H	 1.7033567616	-0.4617760538	 1.658316911	 0.114741
+H	 3.097935443	 1.0899052105	 0.253391463	 0.111783
+H	 1.7732292837	 1.215490509	-0.9065632881	 0.112299
+H	 2.8475175888	 3.9708884527	 1.2230028795	 0.120038
+H	 0.1535246757	 4.4344249406	 2.4584277206	 0.137621
+H	 0.2943009401	 4.897496987	 0.7322681966	 0.132235
+19
+0 5970	3.037082	1.1492843	0.9286191	2.7053	77.64	-0.23044	-0.01044	0.22	1314.8303	0.155065	-422.533952	-422.524797	-422.523853	-422.568625	33.181
+C	 2.9587270274	-0.2825107405	 1.3668075792	-0.389557
+C	 2.0679535664	 0.1010383819	 0.2004007588	-0.067681
+O	 2.3753047483	 1.4525717183	-0.1656836471	-0.288815
+C	 1.6374006248	 1.9202165204	-1.2162548703	 0.34516
+C	 0.2043030415	 2.4292240896	-1.0386756606	-0.340591
+C	 1.2358108731	 3.3763344892	-1.5566407636	-0.14105
+C	 1.4319095859	 3.1186826542	-3.058491465	-0.354274
+C	 1.9192386824	 1.6907917831	-2.6759611983	 0.346063
+O	 2.5018318131	 0.8328112623	-3.2771245707	-0.324384
+H	 2.7516977475	-1.3110590947	 1.6767423661	 0.11898
+H	 4.0126940712	-0.2105308833	 1.0848275199	 0.133713
+H	 2.784451116	 0.3794165415	 2.2199966121	 0.125129
+H	 2.238977755	-0.556532251	-0.6612769929	 0.124067
+H	 1.0046952863	 0.0296517954	 0.4743135718	 0.093229
+H	-0.6082028202	 2.0924746688	-1.6772726732	 0.119261
+H	-0.0541364768	 2.538228011	 0.0100718638	 0.129675
+H	 1.545062035	 4.2659513374	-1.0254577406	 0.116465
+H	 0.5410543154	 3.1971172569	-3.6882533558	 0.119887
+H	 2.2508317379	 3.6817537394	-3.5149714936	 0.134721
+19
+0 5971	3.2521726	1.0626134	0.8870762	2.6223	77.68	-0.23887	-0.00564	0.23323	1349.393	0.15554	-422.531512	-422.522339	-422.521395	-422.56623	32.771
+C	 1.4719017637	-0.3944532838	 0.7509735301	-0.223266
+O	 0.0978527205	-0.2506207715	 1.0270359606	-0.241766
+C	-0.4890572997	 0.8347743211	 0.3410862402	-0.18016
+C	-1.9501605221	 0.8913550249	 0.683929711	 0.209375
+C	-2.7949884654	-0.3585564393	 0.8976887942	-0.318455
+C	-2.7164805427	 0.62382507	 2.0116182763	-0.090757
+C	-3.6893594823	 1.7809771943	 1.7346647477	-0.355573
+C	-2.847276188	 2.0701863641	 0.4625990049	 0.345438
+O	-2.7823877332	 3.0123423972	-0.2781906344	-0.319844
+H	 2.0429875543	 0.4978904836	 1.0507571994	 0.109104
+H	 1.8310117502	-1.253256606	 1.3228354287	 0.129415
+H	 1.6552158059	-0.5758113737	-0.3194819551	 0.109092
+H	 0.0009786435	 1.7823784104	 0.6215822299	 0.101108
+H	-0.3613792771	 0.7204288229	-0.7490267539	 0.103774
+H	-3.7251283711	-0.4967593472	 0.3523714573	 0.115272
+H	-2.1866804369	-1.2498686746	 1.0027694838	 0.142741
+H	-2.2631558748	 0.3972671557	 2.9667778189	 0.113855
+H	-4.7434617442	 1.5174522088	 1.6064687458	 0.11938
+H	-3.6112296403	 2.6230035031	 2.4283058846	 0.131268
+19
+0 5972	3.0389878	1.0518585	0.864358	2.705	76.52	-0.24176	-0.01003	0.23173	1354.7778	0.156035	-422.547838	-422.538695	-422.537751	-422.582377	33.297
+O	-0.5013938371	-1.5554053284	 1.976214463	-0.41735
+C	-0.0619271091	-0.3866260731	 1.3044654271	-0.063841
+C	-0.438289578	 0.8979402043	 2.0583692447	-0.339434
+C	 0.0050854741	 2.134320086	 1.3263027095	 0.247384
+C	-0.7949157891	 2.7697209573	 0.1894265708	-0.319182
+C	-0.4623951656	 3.6228898063	 1.3596253367	-0.121978
+C	 0.9807827473	 4.1298362387	 1.2191314816	-0.354024
+C	 1.4153560412	 2.6403480747	 1.2599130536	 0.360526
+O	 2.4764263547	 2.1017677774	 1.4211375639	-0.322703
+H	 0.0288485876	-1.6529620095	 2.77338875	 0.283417
+H	 1.0225628165	-0.4004078	 1.1262856739	 0.117601
+H	-0.5552971086	-0.399115427	 0.3266195719	 0.111243
+H	-1.5230290741	 0.913277698	 2.2148739053	 0.108338
+H	 0.0298130479	 0.8747757526	 3.0519114602	 0.099244
+H	-0.335516129	 2.9611612586	-0.7769952598	 0.121335
+H	-1.8148032189	 2.4016856022	 0.1291986491	 0.127501
+H	-1.2098143608	 4.0396797698	 2.021667739	 0.108686
+H	 1.2135327423	 4.7090872874	 0.3206491804	 0.120865
+H	 1.3695189788	 4.6553548246	 2.0959958492	 0.132375
+19
+0 5973	4.2599409	1.0116781	0.9273566	2.0872	77.24	-0.24194	0.00564	0.24758	1327.8863	0.156008	-422.529308	-422.520606	-422.519662	-422.56313	31.922
+C	 1.5565820242	 0.6378104086	 0.0700475964	-0.222224
+O	 0.1608939282	 0.8099945751	 0.0168320729	-0.228772
+C	-0.5147799838	 0.1292690213	 1.0441520059	-0.173688
+C	-1.9834247179	 0.4512416088	 0.9916317595	 0.387809
+O	-2.341068109	 1.851728205	 1.0154482802	-0.30227
+C	-2.6929663824	 1.07772209	-0.1380640568	-0.015864
+C	-4.1324436358	 0.5756783004	-0.1361977289	-0.297965
+C	-4.1799446075	-0.3150143732	 1.0901581144	-0.073914
+C	-2.9930502915	-0.4060020456	 1.6945878432	-0.147453
+H	 1.8437562994	-0.4205354617	-0.037779386	 0.103045
+H	 1.9864391061	 1.2063067471	-0.7578637503	 0.129618
+H	 1.9778073571	 1.0125529754	 1.0161478658	 0.107669
+H	-0.3830598182	-0.9633030014	 0.9478711447	 0.091779
+H	-0.1119025353	 0.4156280738	 2.0319989124	 0.096694
+H	-2.1898915997	 1.3634817847	-1.0558137387	 0.108649
+H	-4.8503391318	 1.4027072019	-0.0754707412	 0.125752
+H	-4.3621557326	 0.0205595129	-1.0548445167	 0.11234
+H	-5.0960844899	-0.7817546239	 1.434646846	 0.101345
+H	-2.7735573897	-0.9806600494	 2.5865648072	 0.097446
+19
+0 5974	3.5608775	0.9811956	0.9028932	3.077	76.06	-0.244	0.002	0.246	1344.3269	0.156464	-422.54664	-422.537919	-422.536974	-422.580484	32.428
+O	 1.484763022	 0.9415832699	-0.202568792	-0.416232
+C	 0.196946802	 0.4820227138	 0.1748063741	-0.073097
+C	-0.8187539562	 1.160188992	-0.7411197022	-0.295785
+C	-2.2405233946	 0.7954887784	-0.4076692616	 0.395646
+O	-3.2046083221	 0.9320600629	-1.4842378045	-0.307504
+C	-2.9848537668	-0.3686206265	-0.9336025686	-0.029278
+C	-4.0189546244	-0.7940334039	 0.1018993363	-0.291634
+C	-3.8463322687	 0.2420525114	 1.1957962851	-0.076364
+C	-2.8573435977	 1.0972279232	 0.9267957687	-0.133202
+H	 2.1334158027	 0.5259191648	 0.3727201927	 0.286566
+H	 0.114222308	-0.6120444698	 0.0733028611	 0.087575
+H	-0.0232862469	 0.7267045448	 1.2262166013	 0.090403
+H	-0.685727426	 2.2464620114	-0.6641064711	 0.114059
+H	-0.6126123774	 0.8875692017	-1.780142267	 0.119283
+H	-2.5484440097	-1.0949156367	-1.6151845609	 0.091773
+H	-5.0340677246	-0.7912016371	-0.3134931685	 0.126347
+H	-3.825607402	-1.8118417924	 0.4649001721	 0.1109
+H	-4.4951003376	 0.2835608673	 2.0635504348	 0.101404
+H	-2.5436535401	 1.9275437448	 1.5484398101	 0.099141
+19
+0 5975	4.2494546	1.0647153	0.9976883	1.1866	75.31	-0.22921	0.07429	0.3035	1257.417	0.15597	-422.473889	-422.465547	-422.464603	-422.507468	31.038
+C	 1.5009308399	 0.5372957032	 0.1273884929	-0.219258
+O	 0.1333510386	 0.8600462801	 0.2183592582	-0.239445
+C	-0.5913504745	-0.046986026	 1.0174008661	-0.203871
+C	-2.024627228	 0.3916166406	 1.0455882857	 0.429317
+C	-2.8698714232	 0.6903161066	-0.2211264308	-0.261819
+C	-3.8014421498	 1.43082111	 0.7384804233	-0.12292
+C	-3.7134682165	 0.6306246517	 2.0504225383	 0.097925
+O	-2.879352397	-0.5057846762	 1.8172087643	-0.340748
+C	-2.6755893208	 1.6503940157	 1.7451486264	-0.192217
+H	 1.6565980858	-0.4536201562	-0.3274922969	 0.107051
+H	 1.9735109828	 1.2944327368	-0.5027077358	 0.128826
+H	 1.9878758855	 0.5408443916	 1.1152450041	 0.106435
+H	-0.5401940757	-1.0717396798	 0.6090378319	 0.100751
+H	-0.1910640289	-0.0835815995	 2.0436117345	 0.099629
+H	-2.3481385219	 1.3780468265	-0.8889261165	 0.11896
+H	-3.2447677178	-0.1815362388	-0.7673399779	 0.09413
+H	-4.6290828757	 2.0900734345	 0.510832832	 0.090981
+H	-4.4887000305	 0.5691057879	 2.8022413063	 0.106335
+H	-2.2889811923	 2.5213411416	 2.254709214	 0.09994
+19
+0 5976	4.5093486	0.9755348	0.9371067	2.0067	74.33	-0.23138	0.07357	0.30495	1295.0695	0.156616	-422.49055	-422.482281	-422.481337	-422.523779	31.503
+O	 1.3952360998	 0.8244825471	 0.1576214618	-0.417807
+C	 0.3695134264	-0.0804605403	 0.5344955546	-0.064999
+C	-0.8941937123	 0.6417396256	 1.0203855035	-0.352371
+C	-1.986765107	-0.3077577097	 1.4112801864	 0.441883
+C	-2.70126112	-1.2889640316	 0.4333076025	-0.265361
+C	-3.7943381974	-1.3535802934	 1.4964475465	-0.123491
+C	-3.0356114603	-1.2230972001	 2.8286224741	 0.104622
+O	-1.6410698926	-1.1807713358	 2.5404320853	-0.335006
+C	-3.3921804216	 0.0041050491	 2.0686164445	-0.213304
+H	 1.6933438012	 1.27703305	 0.9530363425	 0.281826
+H	 0.1451143432	-0.6637732443	-0.3645423251	 0.116135
+H	 0.7112504177	-0.7857297774	 1.3047334204	 0.114623
+H	-0.6451653102	 1.2675610707	 1.8874911421	 0.099816
+H	-1.2555228566	 1.3091260104	 0.2296533495	 0.111762
+H	-3.048820514	-0.77529469	-0.4670238245	 0.104096
+H	-2.1559878557	-2.2015459457	 0.1721234933	 0.100246
+H	-4.7863059057	-1.7809252366	 1.4276709483	 0.092079
+H	-3.3683598638	-1.6199724974	 3.7782945154	 0.107413
+H	-3.9387918409	 0.9077588792	 2.2993344789	 0.097836
+19
+0 5977	3.9230477	1.0143937	0.9280181	0.6354	75.32	-0.24244	0.05441	0.29685	1330.975	0.154791	-422.450646	-422.442196	-422.441252	-422.484341	31.6
+C	 1.0609520355	 0.1825111653	-1.8797515535	-0.385003
+C	 0.8128242614	 1.0202267395	-0.6235612284	-0.164358
+C	 2.1149637614	 1.4506088732	 0.0679922021	-0.357149
+C	 1.8808373027	 2.2272128538	 1.3219702143	 0.457559
+O	 1.1550100086	 1.6152933269	 2.4383433996	-0.3542
+C	 1.4537685213	 2.9408556986	 2.950840732	 0.036663
+C	 2.84585599	 3.0381592179	 2.2572410363	-0.017407
+O	 2.5730075862	 4.3176532851	 1.6194244805	-0.32732
+C	 1.277221707	 3.6565314581	 1.5786914612	-0.001207
+H	 1.6132996398	-0.7332018687	-1.6417337992	 0.117157
+H	 0.1187335212	-0.1106395981	-2.3525412544	 0.115007
+H	 1.646724745	 0.738964527	-2.6199962996	 0.11531
+H	 0.2324604204	 1.9144415493	-0.8831141658	 0.098785
+H	 0.2038874471	 0.4558690301	 0.0911910234	 0.121732
+H	 2.7197890108	 0.5675661651	 0.3117026247	 0.113649
+H	 2.7195676424	 2.0752614842	-0.6022395176	 0.118986
+H	 1.125465765	 3.2096021027	 3.9539254624	 0.104635
+H	 3.8524285168	 2.825222864	 2.6168670278	 0.103231
+H	 0.4271799877	 4.1771189759	 1.1382764241	 0.103931
+19
+0 5978	3.6443246	1.2048313	1.0227064	0.7581	75.84	-0.23138	0.07756	0.30894	1217.9624	0.155551	-422.458264	-422.449957	-422.449012	-422.491737	31.24
+C	 0.3646878086	-0.7278061776	 0.0000665776	-0.387536
+C	 0.9271308962	 0.6453768319	 0.3177822833	-0.060725
+O	 1.6421281364	 1.1043346255	-0.8331850508	-0.294855
+C	 2.2116282959	 2.3334665704	-0.7077156685	 0.412243
+C	 3.0242858888	 3.0273416555	-1.8074552836	-0.339348
+C	 3.0537336481	 4.0467451365	-0.6479303369	-0.086969
+C	 1.6088048031	 3.7017845951	-0.1812665636	 0.001509
+O	 1.9865743767	 3.4777323208	 1.2089980375	-0.323923
+C	 3.1092598567	 2.9423219725	 0.4483164318	 0.001512
+H	-0.1915400783	-1.1155803562	 0.8587067457	 0.118162
+H	-0.3115370237	-0.6788171519	-0.8581819343	 0.126896
+H	 1.1696846221	-1.4291070505	-0.2374817313	 0.1269
+H	 0.1264695712	 1.3556977729	 0.5633913929	 0.108043
+H	 1.6031425485	 0.6076211906	 1.182387084	 0.108007
+H	 3.9766411654	 2.5614449538	-2.0734525619	 0.104823
+H	 2.4733370989	 3.3223573027	-2.7042360822	 0.104824
+H	 3.5246774574	 5.024334195	-0.5910558017	 0.091715
+H	 0.6668658833	 4.2047479268	-0.398689037	 0.094362
+H	 3.9655342248	 2.535111626	 0.9854079189	 0.094361
+19
+0 5979	3.7854531	1.0847787	0.9738031	1.7386	76.37	-0.23169	0.07888	0.31057	1272.5869	0.155729	-422.448849	-422.440491	-422.439547	-422.482481	30.868
+C	 1.5166347095	 0.5617413851	 0.0738894173	-0.218732
+O	 0.1743867383	 0.9470350528	 0.2503378198	-0.239153
+C	-0.563787938	 0.0217283613	 1.0230182361	-0.222437
+C	-1.9708135376	 0.5182914695	 1.1417033957	 0.321994
+C	-2.5414745565	 1.8026630603	 1.7832599129	-0.320262
+C	-3.8046337724	 1.0930758358	 1.246798166	-0.100694
+C	-3.0473072353	 0.5329004665	 0.0052139051	 0.062975
+O	-3.4595140171	-0.8528316442	 0.2154945558	-0.331407
+C	-3.2244032547	-0.3225623081	 1.5532813497	 0.038556
+H	 1.5995833959	-0.406694468	-0.4445480276	 0.105667
+H	 2.0007120373	 1.330306035	-0.5335632576	 0.127065
+H	 2.0490519853	 0.4808349093	 1.0351993852	 0.103011
+H	-0.5728304012	-0.9723255573	 0.5443242577	 0.102419
+H	-0.1089293898	-0.0965067918	 2.0221890739	 0.085975
+H	-2.4530944762	 1.885639615	 2.8705514473	 0.096798
+H	-2.266723345	 2.7453491144	 1.3041938632	 0.110379
+H	-4.8517583633	 1.3902483431	 1.2918100744	 0.08492
+H	-2.9791228427	 0.914457412	-1.0127488857	 0.099756
+H	-3.3784663968	-0.9752105907	 2.4132421905	 0.093171
+19
+0 5980	3.5766115	1.1990974	1.02079	1.3931	76.08	-0.22985	0.06493	0.29478	1216.5909	0.155777	-422.450001	-422.441629	-422.440684	-422.483722	30.914
+C	 1.459422187	 0.6488015104	 0.1012700045	-0.219745
+O	 0.1200756013	 1.0001462199	 0.3607601217	-0.235658
+C	-0.5629801002	 0.0329417394	 1.1250487029	-0.22836
+C	-1.9675186747	 0.5137694322	 1.336461275	 0.480741
+O	-2.8696583956	-0.3353974052	 2.1102074247	-0.369545
+C	-3.6718544508	 0.8284689777	 1.7416058168	 0.080775
+C	-2.5140548076	 1.8566087092	 1.9271299955	-0.124279
+C	-2.740886761	 2.4634885264	 0.525113133	-0.27666
+C	-3.061911821	 0.9677012503	 0.3131601803	-0.1243
+H	 1.5307964007	-0.2917898653	-0.4668164879	 0.108212
+H	 1.8984679275	 1.4547557494	-0.4911872362	 0.130311
+H	 2.037523338	 0.533433046	 1.0313293472	 0.108212
+H	-0.582663128	-0.9430855447	 0.611346207	 0.102366
+H	-0.0769614002	-0.1212871478	 2.1032647322	 0.102367
+H	-4.7098357878	 0.8736211201	 2.0690658475	 0.093268
+H	-2.2048075778	 2.3275242603	 2.8602617748	 0.079873
+H	-3.5823220293	 3.1556127879	 0.4295107529	 0.09263
+H	-1.8568036694	 2.846032685	 0.0143063727	 0.119909
+H	-3.373589701	 0.4310690287	-0.5829525346	 0.079882
+19
+0 5981	3.6499703	1.1107198	0.9528452	0.6638	75.18	-0.23232	0.07583	0.30815	1252.2566	0.156179	-422.464814	-422.456472	-422.455528	-422.498178	31.415
+O	 1.4177608389	 0.8475338214	-0.0709254936	-0.420368
+C	 0.0822047867	 0.4595794976	 0.2222415855	-0.081178
+C	-0.8233046349	 1.2133914	-0.7494229567	-0.332538
+C	-2.2882237945	 0.9188581148	-0.5785943054	 0.325881
+C	-3.4950190133	 1.4836881343	-1.3670263048	-0.331355
+C	-4.168360962	 0.5360962032	-0.3539318676	-0.095265
+C	-2.9880738263	-0.4777801407	-0.41162729	 0.047893
+O	-2.7995769016	-0.5351449814	 1.0358063471	-0.329317
+C	-3.1216114852	 0.8611379583	 0.7519703818	 0.047888
+H	 2.002721309	 0.3808837625	 0.5327839122	 0.28547
+H	-0.0564368744	-0.6249136763	 0.1034821556	 0.096715
+H	-0.1891677926	 0.7054450956	 1.2592412505	 0.096703
+H	-0.6469084268	 2.289384519	-0.625544322	 0.110607
+H	-0.5150951357	 0.9678801987	-1.7736069547	 0.110603
+H	-3.6970610349	 2.5522408991	-1.2475489388	 0.099343
+H	-3.5623046841	 1.2010826296	-2.4217810739	 0.099343
+H	-5.2206231079	 0.2991734292	-0.2020711059	 0.084509
+H	-2.8773164212	-1.3945128183	-0.991432583	 0.092532
+H	-3.1726421992	 1.5664966334	 1.5818528538	 0.092533
+19
+0 5982	3.8742673	1.0178974	0.9348828	1.5782	75.26	-0.23198	0.07498	0.30696	1296.4663	0.156207	-422.468266	-422.459932	-422.458988	-422.501714	31.447
+O	 1.394071074	 0.7570610843	 0.0631243006	-0.41768
+C	 0.322475237	-0.0730028747	 0.4800216758	-0.064021
+C	-0.8642753711	 0.7327470741	 1.024499313	-0.372456
+C	-1.9928433916	-0.1407251885	 1.4754537507	 0.498467
+O	-1.7495014552	-1.0946765162	 2.565956469	-0.366669
+C	-3.1456279227	-1.2957053595	 2.2051015185	 0.08812
+C	-3.4424633295	 0.2136866134	 1.9538834417	-0.14459
+C	-4.0463916397	-0.0688935857	 0.5615644477	-0.2804
+C	-2.9235416989	-1.1222389163	 0.6736638981	-0.134541
+H	 1.7724518847	 1.1655110788	 0.8481446685	 0.282438
+H	 0.0137072281	-0.6303885116	-0.4105628388	 0.114386
+H	 0.6420393001	-0.8094702787	 1.230208287	 0.11423
+H	-0.5342702729	 1.3422857797	 1.8766576233	 0.104108
+H	-1.2224648409	 1.4239579551	 0.2527227747	 0.117521
+H	-3.7249193767	-2.0421776089	 2.7474239579	 0.094341
+H	-3.7135806806	 0.9585431659	 2.702484653	 0.081005
+H	-5.0711587049	-0.4495541184	 0.5437455783	 0.100431
+H	-3.9174433426	 0.7079348028	-0.1970794727	 0.102275
+H	-2.6095367366	-1.8934187255	-0.0300155762	 0.083036
+19
+0 5983	4.5210099	0.9999431	0.9724674	1.2121	75.25	-0.21564	0.07944	0.29508	1296.6776	0.155853	-422.473406	-422.465097	-422.464153	-422.506941	31.248
+C	-0.0013386863	-0.0162395923	 0.0632235203	-0.388068
+C	 1.5047601602	-0.135431082	-0.0819859928	-0.062138
+O	 2.0591800903	 1.1805989146	-0.0565250347	-0.291331
+C	 3.4241223626	 1.2119155373	-0.1477720548	 0.388982
+C	 4.3174128075	 0.9917854794	-1.3747180512	-0.309186
+C	 5.4268700109	 1.600751883	-0.4767469316	 0.067758
+O	 5.6445063535	 0.5927256089	 0.5545894562	-0.292825
+C	 4.3634091999	 0.9677532618	 1.0599131412	 0.017308
+C	 4.3222998254	 2.3079338448	 0.3953721115	-0.218915
+H	-0.2594457289	 0.4706500568	 1.0079657555	 0.127481
+H	-0.4204957831	 0.5777054501	-0.7538195209	 0.129068
+H	-0.4637559792	-1.0075491805	 0.0449539223	 0.117623
+H	 1.9364465349	-0.7337437634	 0.7335825253	 0.096787
+H	 1.7673134209	-0.6317945926	-1.0278260536	 0.099721
+H	 4.4979754908	-0.0213001995	-1.7468352019	 0.100921
+H	 4.0387565879	 1.6669130426	-2.1879114433	 0.108353
+H	 6.3434604071	 2.0275194896	-0.8765056936	 0.091355
+H	 4.0438362677	 0.6289054811	 2.0364621804	 0.110474
+H	 4.145392508	 3.31796197	 0.7367009457	 0.106632
+19
+0 5984	4.5793206	1.0242213	0.945052	2.5011	75.74	-0.22472	0.07798	0.30269999999999997	1292.4979	0.156176	-422.470058	-422.461725	-422.460781	-422.503579	30.874
+C	 1.4250624064	 0.5352517359	-0.0743424307	-0.220123
+O	 0.0471376045	 0.7453647196	 0.121113488	-0.239049
+C	-0.5149941083	-0.1301649814	 1.078564587	-0.205751
+C	-1.9706750682	 0.1858199772	 1.2071789721	 0.28591
+C	-2.9881629196	-0.4092421519	 2.1807892276	-0.302858
+C	-3.9256988538	 0.721696708	 1.6825323417	 0.067624
+O	-4.1933104079	 0.3607760588	 0.2986002908	-0.29935
+C	-2.8323811355	 0.7054167632	 0.038732654	 0.071003
+C	-2.6559977846	 1.5519643408	 1.2533375051	-0.181857
+H	 1.6351826341	-0.482339091	-0.4398286678	 0.106197
+H	 1.7631419824	 1.2564160613	-0.8222217566	 0.128882
+H	 1.9970369646	 0.6904018372	 0.854159048	 0.105273
+H	-0.3774033598	-1.1818317999	 0.7684355468	 0.091557
+H	-0.0022309102	-0.0133653452	 2.0502919727	 0.087637
+H	-3.3398658775	-1.4350410405	 2.0274444975	 0.099209
+H	-2.684132907	-0.2557393541	 3.2201696982	 0.101123
+H	-4.8073666962	 1.050570403	 2.2281340318	 0.086352
+H	-2.4864643826	 0.8101193996	-0.9794201039	 0.117252
+H	-2.2983092507	 2.5576084894	 1.4229815277	 0.100967
+19
+0 5985	4.6354363	1.0330759	0.9556763	1.1796	75.79	-0.2267	0.07001	0.29671000000000003	1290.1254	0.156174	-422.47161	-422.463247	-422.462303	-422.505265	30.902
+C	 1.4964177304	 0.4132697659	 0.0518193104	-0.219371
+O	 0.1231538051	 0.7087457012	 0.1522303682	-0.238333
+C	-0.5108760084	 0.0154766248	 1.2034393166	-0.202178
+C	-1.9499478118	 0.4185987019	 1.2153938122	 0.478496
+O	-2.7997083975	-0.1113611122	 2.2344674736	-0.342092
+C	-3.7709081638	 0.8980102677	 1.8236235587	 0.061582
+C	-4.2458568319	 0.3968194075	 0.4354905468	-0.236229
+C	-2.8207105164	 0.7149058819	-0.0180242544	-0.14664
+C	-2.6404456682	 1.7330327768	 1.1126533732	-0.188262
+H	 1.669822717	-0.6566559673	-0.1428961794	 0.107757
+H	 1.8941613435	 0.9943981674	-0.7833916643	 0.129274
+H	 2.0404771859	 0.6879720725	 0.96896854	 0.107692
+H	-0.4310233616	-1.0769633729	 1.0652094109	 0.099719
+H	-0.0455166158	 0.2562849094	 2.1740571758	 0.099825
+H	-4.4460104834	 1.197906645	 2.622046895	 0.085251
+H	-4.6091674416	-0.6349453122	 0.390478754	 0.098668
+H	-4.9691943827	 1.0810510862	-0.0158740305	 0.102996
+H	-2.4055298653	 0.7562758426	-1.0154293231	 0.101469
+H	-2.3111699537	 2.7618601338	 1.1375918264	 0.100374
+19
+0 5986	4.3988089	0.9097058	0.8940545	2.5471	74.46	-0.22866	0.0702	0.29886	1350.5771	0.156711	-422.485235	-422.476935	-422.47599	-422.518634	31.36
+O	 1.5174906282	 0.6391831962	 0.0829730441	-0.416394
+C	 0.5598750155	-0.281149626	 0.57987731	-0.053164
+C	-0.3632831583	 0.3394888037	 1.6362101945	-0.350807
+C	-1.4103677298	-0.6137871281	 2.1336543138	 0.303579
+C	-1.2361690541	-1.8859187933	 2.9740688573	-0.288288
+C	-2.7774486302	-1.8502657695	 3.1168270428	 0.069088
+O	-3.2530521762	-2.1304570893	 1.7683613687	-0.296138
+C	-2.7660519365	-0.8346948491	 1.4247877593	 0.058094
+C	-2.7454896851	-0.3043198152	 2.8170247342	-0.209893
+H	 2.0972116245	 0.8829597884	 0.8115898127	 0.280782
+H	-0.0294588411	-0.5970982711	-0.2870280899	 0.117498
+H	 1.0431153042	-1.1837044703	 0.9861588216	 0.092429
+H	 0.2467492204	 0.696427092	 2.479670323	 0.088481
+H	-0.8381341202	 1.2285040484	 1.2024439384	 0.107832
+H	-0.8141139935	-2.7851980199	 2.5133787262	 0.100843
+H	-0.7349757585	-1.6666885701	 3.9214201135	 0.100075
+H	-3.3234693984	-2.3839156027	 3.8915117698	 0.088196
+H	-3.0472523461	-0.3960457634	 0.4760528987	 0.108888
+H	-3.1457302449	 0.5791251693	 3.2953861014	 0.098898
+19
+0 5987	4.3684472	0.9473152	0.9348732	1.7896	74.78	-0.22911	0.07792	0.30703	1319.4499	0.156674	-422.48969	-422.481371	-422.480427	-422.523154	31.41
+O	 1.4137782879	 0.7050731115	 0.063029985	-0.419124
+C	 0.3898701444	-0.1290810511	 0.5800154763	-0.059872
+C	-0.8797982293	 0.655978163	 0.9377536227	-0.351866
+C	-1.9540557551	-0.2194158035	 1.4905102752	 0.507494
+O	-1.7359447172	-0.8745614574	 2.7487896597	-0.334687
+C	-3.1558743316	-1.1924710127	 2.7379088525	 0.067827
+C	-3.2825809578	-2.2578458205	 1.6185142125	-0.232333
+C	-2.9174972473	-1.1121973279	 0.6751803555	-0.157677
+C	-3.4262154848	-0.0671047075	 1.6705234442	-0.222601
+H	 1.7156675282	 1.2763912648	 0.7762564497	 0.281963
+H	 0.1656406734	-0.8536097851	-0.2095131221	 0.114819
+H	 0.7308069376	-0.6983440579	 1.4564821631	 0.110367
+H	-0.6332788602	 1.4315139732	 1.6757901717	 0.100324
+H	-1.2516815284	 1.1688378648	 0.0436728446	 0.114157
+H	-3.5841161185	-1.3079766552	 3.731194687	 0.086553
+H	-2.6171679727	-3.1235847483	 1.6951057856	 0.100601
+H	-4.3185931561	-2.5772565334	 1.478147465	 0.103943
+H	-2.9632949646	-1.0790767695	-0.4061730168	 0.091666
+H	-4.1141530277	 0.7629999325	 1.5882341885	 0.098446
+19
+0 5988	5.1385898	0.7431981	0.6870018	5.556	80.13	-0.26279	-0.03679	0.22600000000000003	1654.761	0.157015	-422.61085	-422.6018	-422.600856	-422.645684	32.327
+C	 2.2434001195	-1.0325897137	-1.0966411945	-0.380804
+C	 1.7219384663	-0.2986993776	 0.1406406029	-0.168287
+C	 2.0789304961	 1.2030118264	 0.1254143305	-0.303308
+C	 1.6006438361	 1.9432354092	 1.3331011923	 0.322009
+C	 2.3036856459	 2.5181933763	 2.313051437	-0.377349
+C	 1.3827765923	 3.1299937149	 3.2942488561	 0.459505
+O	 1.6108583294	 3.7330909444	 4.3038201416	-0.351469
+O	 0.0969207952	 2.8945920092	 2.8524074881	-0.234307
+C	 0.1381484011	 2.159251808	 1.6364491287	-0.166128
+H	 1.9835045707	-2.0946483969	-1.0632438118	 0.120872
+H	 1.8187735271	-0.6132173529	-2.0153127189	 0.119003
+H	 3.3336623016	-0.9577562413	-1.171147033	 0.121153
+H	 0.6337622417	-0.417425919	 0.2061892662	 0.104957
+H	 2.1366636035	-0.752904251	 1.0481737292	 0.112645
+H	 3.1649290526	 1.3169640415	 0.0388437005	 0.116647
+H	 1.6422950228	 1.658423111	-0.7748402555	 0.114644
+H	 3.3768848869	 2.5705175463	 2.4260958835	 0.125351
+H	-0.4107401936	 1.2181070686	 1.7673021076	 0.133577
+H	-0.3652247051	 2.7328501867	 0.8465930294	 0.131288
+19
+0 5989	5.1469132	0.7741734	0.6965887	4.4049	81.61	-0.23249	-0.04082	0.19167	1583.0531	0.156045	-422.579303	-422.569982	-422.569038	-422.614498	32.686
+C	 1.4779775473	 0.3133772993	-0.1349162421	-0.224026
+O	 0.0706353036	 0.3097620138	-0.0664133725	-0.233535
+C	-0.4116598191	 0.3141830864	 1.2600879613	-0.168605
+C	-1.90621008	 0.3840938433	 1.2380691305	 0.333525
+C	-2.7485955241	-0.2747853237	 2.0464770062	-0.309823
+C	-4.151833557	 0.0950036135	 1.7611667985	 0.39841
+O	-5.1445607201	-0.3180569721	 2.314848554	-0.337244
+C	-4.1170531013	 1.1150081416	 0.6092775666	-0.339406
+C	-2.6268936866	 1.2965562136	 0.2688827626	-0.3055
+H	 1.9120016431	-0.5777822162	 0.3444793824	 0.109819
+H	 1.7517697381	 0.3149460678	-1.1922455266	 0.13331
+H	 1.9065482419	 1.2061154051	 0.3473842826	 0.107427
+H	-0.0701172941	-0.5769557141	 1.8106875777	 0.103696
+H	-0.0183993805	 1.195774381	 1.8021269515	 0.10438
+H	-2.4818680622	-0.9909814249	 2.8139810889	 0.107107
+H	-4.7073123435	 0.7336028265	-0.2288047579	 0.133772
+H	-4.5970905499	 2.0419906999	 0.9362324895	 0.13234
+H	-2.3800701859	 1.0179729412	-0.7602613163	 0.138052
+H	-2.2846616999	 2.331993638	 0.3888675528	 0.116302
+19
+0 5990	4.5177014	0.7406673	0.6767681	4.2415	81.13	-0.23375	-0.04146	0.19229000000000002	1637.6967	0.156669	-422.59506	-422.585711	-422.584767	-422.630609	33.12
+O	 1.1098169559	-1.0474255511	-0.6436538894	-0.408148
+C	 1.1672306135	 0.2705423109	-0.134636042	-0.056207
+C	-0.1297791777	 0.6677607315	 0.602898406	-0.321584
+C	-0.1085427822	 2.0783036637	 1.1044647596	 0.32812
+C	-0.771418291	 3.1243366131	 0.5850401583	-0.293859
+C	-0.4917731539	 4.3654281062	 1.3344482656	 0.396184
+O	-0.930556619	 5.4711966419	 1.1157120969	-0.336683
+C	 0.4778652504	 3.9910819824	 2.4698113003	-0.334165
+C	 0.72682805	 2.4811733144	 2.3064634778	-0.315849
+H	 1.0857726362	-1.6561532454	 0.1016309645	 0.284492
+H	 2.0383059438	 0.4115863404	 0.5230781309	 0.094244
+H	 1.3058046732	 0.9228654054	-1.0023462847	 0.126216
+H	-0.9691889021	 0.5143034105	-0.0816992303	 0.123686
+H	-0.2664747977	-0.019680975	 1.4504784159	 0.099175
+H	-1.4394950739	 3.1014315998	-0.2672957483	 0.108688
+H	 1.3888009875	 4.5897169535	 2.3800807352	 0.133304
+H	 0.0246077862	 4.2490567294	 3.4311950262	 0.133631
+H	 1.785847891	 2.2454396165	 2.1459827769	 0.120575
+H	 0.4229128498	 1.9036068317	 3.1887246706	 0.118179
+19
+0 5991	4.4114058	0.9399684	0.8940582	1.9389	77.76	-0.22824	-0.00025	0.22799	1373.5552	0.156696	-422.493676	-422.485246	-422.484302	-422.527604	30.954
+C	 1.6522567396	-0.2628470455	 0.6255933497	-0.219369
+O	 0.3314705379	-0.0845355101	 1.079665398	-0.23896
+C	-0.3615700596	 0.9228919761	 0.362864678	-0.222536
+C	-1.7632945707	 0.9693957169	 0.8508080589	 0.388518
+C	-2.5520315974	 1.96439074	 1.2631455192	-0.227279
+C	-3.8627051276	 1.2108695303	 1.5605837133	 0.029204
+C	-3.3400239577	-0.0106115578	 2.3771449692	-0.213861
+C	-2.721998111	-0.2377291356	 0.9672117238	-0.021429
+O	-3.9605275028	 0.313413755	 0.403020319	-0.289692
+H	 2.2532454895	 0.6526007239	 0.7450252074	 0.104941
+H	 2.0990763255	-1.0586992671	 1.2261185554	 0.128899
+H	 1.6841070816	-0.5560171454	-0.4360242622	 0.104896
+H	 0.1279918891	 1.9028798812	 0.4872851383	 0.095839
+H	-0.3421006022	 0.6881111618	-0.717712187	 0.098554
+H	-2.3587688578	 3.021866956	 1.3702126067	 0.109048
+H	-4.774062733	 1.760581396	 1.791264598	 0.080064
+H	-2.6719134818	 0.1646923345	 3.2223287263	 0.102857
+H	-4.1290995749	-0.7292364816	 2.6099755661	 0.106645
+H	-2.4251040666	-1.2078443085	 0.572989422	 0.083659
+19
+0 5992	4.4902091	0.8659169	0.8403903	0.4666	76.82	-0.22746	0.00498	0.23244	1420.9877	0.15714	-422.510252	-422.501789	-422.500845	-422.544141	31.478
+O	 1.6687549223	 0.8563901181	-0.0557603254	-0.417462
+C	 0.3249564533	 0.5154952717	 0.2436295176	-0.065814
+C	-0.5351780517	 0.9577034646	-0.9450935212	-0.332453
+C	-1.9889601395	 0.7209112171	-0.7224819447	 0.366166
+C	-2.8656850787	-0.1270284445	-1.2702455919	-0.21708
+C	-4.157148112	 0.2209380357	-0.5102582293	 0.02913
+C	-4.152004604	 1.7780535133	-0.5787975821	-0.216079
+C	-2.9021856732	 1.454986705	 0.2931122158	-0.03382
+O	-3.6658085897	 0.3453292865	 0.8697574114	-0.286337
+H	 2.2239085795	 0.5571191496	 0.6700284062	 0.287514
+H	 0.2038791975	-0.5674771948	 0.3970218143	 0.097711
+H	-0.0208195653	 1.0160258055	 1.1619858923	 0.091163
+H	-0.3401041122	 2.0252955542	-1.1140303923	 0.114894
+H	-0.1933014577	 0.4265703708	-1.8394664581	 0.114528
+H	-2.7381834052	-0.8661028078	-2.0478490469	 0.106642
+H	-5.0483950025	-0.3946294906	-0.6226789479	 0.080123
+H	-4.010713488	 2.2618373085	-1.5475503887	 0.09718
+H	-4.9617138628	 2.2315474145	-0.0019492121	 0.106521
+H	-2.4713299601	 2.1416823324	 1.0216896828	 0.077473
+19
+0 5993	5.2919638	0.8397327	0.7777202	1.8916	78.36	-0.24033	-0.00023	0.24009999999999998	1490.6427	0.156322	-422.529129	-422.520449	-422.519505	-422.563128	31.625
+C	 1.5802558754	 0.6940280689	 0.1478536579	-0.220395
+O	 0.2187895089	 0.9968790101	 0.3372720601	-0.235246
+C	-0.4867705164	-0.0426423339	 0.990068989	-0.178888
+C	-1.9309076769	 0.3273534652	 1.0706532523	 0.325071
+C	-2.7241556852	 0.2329322492	 2.1439982439	-0.215364
+C	-4.1348766097	 0.5535866898	 1.7808646886	 0.015128
+O	-4.6850546297	-0.341261071	 0.7839727774	-0.260574
+C	-4.1308322742	 0.9014098323	 0.3481029389	 0.033064
+C	-2.6964864766	 0.8075383209	-0.153295841	-0.325695
+H	 1.7162969574	-0.2115769824	-0.4648694946	 0.104321
+H	 2.0350809852	 1.542474243	-0.3688818488	 0.128495
+H	 2.102470414	 0.5397564799	 1.1054721431	 0.104875
+H	-0.3702878317	-0.9839182657	 0.4207495723	 0.096595
+H	-0.0776008455	-0.2244238656	 1.9974774793	 0.093905
+H	-2.4112436117	-0.073558772	 3.1350579998	 0.096693
+H	-4.8521272216	 0.9357146249	 2.5005549924	 0.095585
+H	-4.8357965059	 1.596008961	-0.1005597453	 0.09481
+H	-2.6030150068	 0.112284635	-0.9965062802	 0.121134
+H	-2.3206878891	 1.7778095604	-0.4968880152	 0.126485
+19
+0 5994	4.397485	0.8166291	0.7885294	2.1274	77.2	-0.23673	0.00098	0.23771	1484.0809	0.156899	-422.544537	-422.535844	-422.534899	-422.578702	32.102
+O	 1.2814075051	 0.8785504507	-0.134886894	-0.41285
+C	 0.3321272828	-0.0187523791	 0.4131017604	-0.055111
+C	-0.8368188228	 0.7116959737	 1.1030829911	-0.320681
+C	-1.8960233819	-0.2171207675	 1.6126562892	 0.308904
+C	-2.1184687121	-0.5636365798	 2.8879951731	-0.198894
+C	-3.1826184489	-1.6029358509	 2.9797497523	 0.011732
+O	-2.846113935	-2.8295257402	 2.2831838885	-0.259741
+C	-3.6411154403	-1.8584202087	 1.6031010671	 0.040962
+C	-2.8538597356	-0.9437223327	 0.6741496583	-0.338052
+H	 1.6969325983	 1.3504921499	 0.5938452566	 0.282357
+H	-0.0374163392	-0.6087024944	-0.431575953	 0.11589
+H	 0.7946739776	-0.7214131561	 1.122452048	 0.099098
+H	-0.4366811493	 1.3023396326	 1.9371420203	 0.093188
+H	-1.2594764409	 1.4196696249	 0.3784477277	 0.110704
+H	-1.5822722365	-0.1763576785	 3.746412099	 0.092754
+H	-3.801145299	-1.7334578743	 3.8622226392	 0.095496
+H	-4.6514935138	-2.1709230742	 1.3530493477	 0.095061
+H	-2.3304544458	-1.5133202802	-0.1029638769	 0.12711
+H	-3.5149945426	-0.2357862853	 0.1564359755	 0.112072
+19
+0 5995	4.2330184	0.8170315	0.7132675	3.5375	79.7	-0.23882	-0.01417	0.22465000000000002	1584.7115	0.155334	-422.573199	-422.563884	-422.56294	-422.60833	32.981
+C	 1.4467535739	-0.2773900808	 0.1234295932	-0.22115
+O	 0.042587943	-0.1977366111	 0.1860806049	-0.235364
+C	-0.4103573411	 0.9115243317	 0.9398239984	-0.177502
+C	-1.9008354847	 0.856484764	 1.0295407143	 0.32996
+C	-2.7499734271	 1.8450118622	 0.733618442	-0.188694
+C	-4.1878813432	 1.4744562306	 0.9672432086	-0.366121
+C	-4.098280931	 0.0284521706	 1.488835659	 0.393344
+O	-5.0267268121	-0.6565070358	 1.8263459908	-0.302067
+C	-2.6178996731	-0.3803358806	 1.5085201167	-0.411971
+H	 1.8954621451	-0.3754014988	 1.1249529336	 0.104591
+H	 1.6975481053	-1.1630815014	-0.464962024	 0.130192
+H	 1.885871549	 0.6083072729	-0.3624704451	 0.105368
+H	 0.0317105294	 0.8749218149	 1.9534143891	 0.091296
+H	-0.0858932861	 1.8596860722	 0.4801899672	 0.092636
+H	-2.447687426	 2.8185048414	 0.3625733625	 0.096704
+H	-4.7004656182	 2.108782341	 1.7021146015	 0.136308
+H	-4.8034074079	 1.5054780866	 0.0585919539	 0.139136
+H	-2.3253240289	-0.696441992	 2.5187028096	 0.131321
+H	-2.4490800263	-1.2474943976	 0.8593354238	 0.152011
+19
+0 5996	4.3611263	0.7538701	0.6749827	2.4257	78.66	-0.24035	-0.01627	0.22408	1632.9051	0.15571	-422.589095	-422.579693	-422.578748	-422.624491	33.511
+O	-0.4310831014	 0.0067225497	 2.310115085	-0.41629
+C	-0.1250330857	 1.2226937591	 1.6480521389	-0.06731
+C	-0.3219118652	 0.9856628502	 0.1480799339	-0.291163
+C	-0.0123160381	 2.1857799813	-0.6947768888	 0.316781
+C	-0.8836076914	 2.8747605438	-1.4408567787	-0.182001
+C	-0.2602837617	 4.0198566814	-2.187985147	-0.366203
+C	 1.2219284948	 3.9336519808	-1.7879734659	 0.396603
+O	 2.1013178695	 4.6593268715	-2.1690015705	-0.301574
+C	 1.3830422386	 2.7562735375	-0.813011326	-0.421958
+H	-0.3177720146	 0.1405256997	 3.2555480341	 0.287782
+H	-0.7841889652	 2.0408835021	 1.9786621449	 0.091284
+H	 0.9120305524	 1.5348914458	 1.8487846814	 0.088381
+H	 0.3218770291	 0.1434249819	-0.1396486302	 0.113816
+H	-1.3566533373	 0.6672138749	-0.016105033	 0.112553
+H	-1.93883884	 2.6344561852	-1.5163332733	 0.095436
+H	-0.3592764011	 3.9480547022	-3.2791390583	 0.136556
+H	-0.6625623799	 5.0040069055	-1.9128707861	 0.136179
+H	 2.1142886304	 2.037430796	-1.2067069098	 0.135992
+H	 1.8004437669	 3.1187863614	 0.1353997694	 0.135136
+19
+0 5997	4.0679695	0.9394595	0.8347059	1.7059	78.43	-0.23977	0.00191	0.24168	1425.7574	0.156364	-422.528157	-422.519442	-422.518497	-422.562267	31.614
+C	 1.3591098031	 0.252270225	-0.1523507139	-0.220834
+O	-0.0419281497	 0.2291338305	-0.0170745291	-0.236768
+C	-0.4660717596	 0.4207624983	 1.3215429988	-0.192591
+C	-1.9574563448	 0.4930469614	 1.3407640861	 0.345498
+C	-2.8026019281	-0.182377267	 2.1259290139	-0.194091
+C	-4.2517407907	 0.1807959974	 1.8716086441	-0.286684
+C	-4.1479220628	 1.270385937	 0.8087994207	 0.045843
+O	-3.4485907132	 2.4409554408	 1.2346973258	-0.261341
+C	-2.7256419554	 1.4428750138	 0.4723302171	-0.062415
+H	 1.8393220583	-0.553674822	 0.4250722729	 0.104326
+H	 1.5874522946	 0.1110569771	-1.2114572809	 0.128295
+H	 1.786267355	 1.2118687452	 0.1801273846	 0.105313
+H	-0.107203418	-0.3964931836	 1.968279342	 0.091778
+H	-0.0348855171	 1.3594145212	 1.7150820015	 0.09933
+H	-2.5059395204	-0.8895239344	 2.8935905948	 0.096375
+H	-4.8279629587	-0.6786268356	 1.5050130887	 0.113531
+H	-4.7575823595	 0.5421069271	 2.7752452184	 0.124845
+H	-4.9558579999	 1.4393821097	 0.102042128	 0.094631
+H	-2.350671683	 1.7709021881	-0.4908193334	 0.104958
+19
+0 5998	3.9503369	0.9189577	0.8122165	0.6019	77.25	-0.2371	0.00569	0.24279	1425.0382	0.156757	-422.545114	-422.536352	-422.535408	-422.579256	32.143
+O	 1.4584526233	 0.9942414533	-0.1605999289	-0.418966
+C	 0.1637073265	 0.5539471607	 0.2179740166	-0.065299
+C	-0.8059661545	 0.9700028908	-0.8916433841	-0.308993
+C	-2.2280273438	 0.628007709	-0.5728541325	 0.333989
+C	-3.0073623988	-0.2907619899	-1.1565023704	-0.188026
+C	-4.3989394509	-0.3521826272	-0.5606828943	-0.287172
+C	-4.3280977701	 0.6638456333	 0.5736763474	 0.046345
+O	-3.3724597792	 0.3507863647	 1.5893459429	-0.261292
+C	-2.991097898	 1.2785166811	 0.5447442922	-0.070141
+H	 2.0785204615	 0.7258197362	 0.5234919743	 0.286873
+H	 0.1268046215	-0.5390431888	 0.3429128979	 0.094952
+H	-0.1489452664	 1.0013675551	 1.1746527404	 0.096266
+H	-0.6978003529	 2.0534741184	-1.0362675859	 0.112112
+H	-0.4969092107	 0.4929498673	-1.8272039257	 0.110806
+H	-2.6871893574	-0.9565260232	-1.9512130953	 0.0954
+H	-5.1714123748	-0.075678462	-1.2902538132	 0.111357
+H	-4.6530581059	-1.3535780969	-0.192163897	 0.124202
+H	-5.2189467404	 1.1830223342	 0.9168208867	 0.094737
+H	-2.7739581991	 2.2880533441	 0.8836653289	 0.092851
+19
+0 5999	3.4093849	0.9869531	0.8165514	4.2783	79.14	-0.26617	-0.03616	0.23001000000000002	1441.2802	0.157078	-422.611612	-422.602597	-422.601653	-422.646146	32.306
+C	 2.1449208069	-0.4826223465	-1.6798754992	-0.38062
+C	 1.5645223465	 0.0625095717	-0.373470716	-0.168447
+C	 2.1982363488	 1.4080591627	 0.0340234485	-0.302153
+C	 1.6100189786	 1.970341337	 1.2878580855	 0.183559
+C	 2.1216784594	 2.1249598351	 2.5106938992	-0.218462
+C	 1.0939629522	 2.739764256	 3.4125407506	-0.127578
+O	-0.0571047176	 2.9256111639	 2.5916617935	-0.22588
+C	 0.2100713246	 2.4840039219	 1.3212409983	 0.402312
+O	-0.5974248074	 2.5381186679	 0.4349176695	-0.353075
+H	 1.6847843907	-1.4386730999	-1.9471927828	 0.115644
+H	 1.972882072	 0.2128369402	-2.5085556882	 0.120569
+H	 3.2261431867	-0.6434127543	-1.6006883754	 0.111149
+H	 0.4835532349	 0.203234772	-0.4732501309	 0.132266
+H	 1.7165259854	-0.663274106	 0.4349638742	 0.095019
+H	 3.2812144265	 1.2901495735	 0.1534364621	 0.100529
+H	 2.0378264179	 2.1274234347	-0.779046841	 0.123926
+H	 3.118422102	 1.8665687192	 2.845765038	 0.121315
+H	 0.8286351283	 2.0953800663	 4.2606195262	 0.134872
+H	 1.4066630335	 3.7118880646	 3.815015188	 0.135056
+19
+0 6000	3.2507971	0.988175	0.7723084	2.4098	80.29	-0.23712	-0.03772	0.1994	1481.0663	0.156126	-422.580238	-422.570889	-422.569945	-422.615437	32.664
+C	 1.5908700104	 0.4855123933	-0.1002530987	-0.22435
+O	 0.2065525438	 0.7386525358	-0.0527838179	-0.238111
+C	-0.4290955363	 0.0916941874	 1.0239433365	-0.156807
+C	-1.8880688837	 0.4022636464	 1.0133532856	 0.168453
+C	-2.5771239381	 1.1655114512	 0.1556143625	-0.141908
+C	-4.0499155415	 1.2419258175	 0.4736599339	-0.268125
+C	-4.2105875455	 0.3660892941	 1.7319627186	-0.329165
+C	-2.7995314269	-0.1529918757	 2.0425174902	 0.327264
+O	-2.4847503879	-0.8794855597	 2.9591735649	-0.336622
+H	 1.8054934405	-0.5879996269	-0.2205096909	 0.107959
+H	 1.9918999803	 1.0252034112	-0.9613468309	 0.128001
+H	 2.1013677224	 0.8367316645	 0.8102355844	 0.107964
+H	-0.2849549823	-1.0020207034	 0.9726547958	 0.110869
+H	 0.0068814653	 0.4035428482	 1.9894963887	 0.110906
+H	-2.1355269077	 1.6833940896	-0.6875816992	 0.124119
+H	-4.3608687384	 2.2803844531	 0.641251131	 0.120717
+H	-4.6518000411	 0.8816031079	-0.3695930992	 0.120698
+H	-4.5909403899	 0.9193998163	 2.595616186	 0.134113
+H	-4.8836097535	-0.4831758408	 1.5819845389	 0.134025
+19
+0 6001	3.2719944	0.9647732	0.7956533	4.6067	79.48	-0.23889	-0.0425	0.19638999999999998	1445.7688	0.15683	-422.595478	-422.586197	-422.585253	-422.630506	33.08
+O	-2.061649417	-0.9316768967	 2.3290560661	-0.411786
+C	-1.0744587425	-0.1493132386	 1.6822172206	-0.059844
+C	-0.9993994	 1.2822181227	 2.2466175832	-0.331358
+C	-0.0001782657	 2.1317295568	 1.5253295763	 0.215039
+C	 1.1900121566	 2.586367214	 1.9437555834	-0.162821
+C	 1.925643675	 3.4150656377	 0.9204519563	-0.264654
+C	 0.9780755504	 3.4347385264	-0.2941604536	-0.325575
+C	-0.2379980132	 2.6013668246	 0.1320213881	 0.335183
+O	-1.2167653635	 2.3684726872	-0.5413971582	-0.334074
+H	-1.7984942861	-1.0398908575	 3.2485711286	 0.279766
+H	-0.0810382152	-0.6220791001	 1.7390350081	 0.082516
+H	-1.3632448924	-0.105204441	 0.629149432	 0.141322
+H	-1.9965116546	 1.7260874777	 2.1495314594	 0.130344
+H	-0.7554492001	 1.2394347138	 3.3156834703	 0.087492
+H	 1.6098560328	 2.3974757808	 2.927535697	 0.105626
+H	 2.1355533275	 4.4196048067	 1.3075598506	 0.12126
+H	 2.9022246211	 2.9736694336	 0.6866303648	 0.121087
+H	 0.6494903828	 4.441900539	-0.5664654249	 0.135381
+H	 1.4206278442	 2.995544423	-1.192923898	 0.135098
+19
+0 6002	3.41473	0.8470038	0.7270973	2.2709	81.01	-0.22944	0.04725	0.27669	1581.5415	0.153329	-422.491801	-422.481585	-422.480641	-422.527478	36.675
+C	 0.4996619889	-0.8347004782	 0.2026893589	-0.388792
+C	 0.8603456544	 0.6249190199	 0.4090368617	-0.050671
+O	 1.763879136	 1.0150295766	-0.6297490467	-0.268957
+C	 2.167088543	 2.346452448	-0.519274143	 0.055808
+C	 3.4875032235	 2.5703589573	 0.1582867947	 0.105425
+O	 4.1515184628	 1.4699375476	 0.6812278416	-0.430136
+C	 3.3712184002	 2.7255591176	-1.3685204965	-0.330609
+C	 3.435381885	 4.0150621264	-1.9826043917	 0.310734
+C	 3.4876087296	 5.1139880636	-2.4704356618	-0.43528
+H	-0.2111749075	-1.158943271	 0.9682551287	 0.123363
+H	 0.0442978062	-0.9820817129	-0.7803963786	 0.134308
+H	 1.3883262285	-1.469439118	 0.2678781928	 0.125972
+H	-0.0380922975	 1.2587048556	 0.3634027188	 0.102478
+H	 1.3281676292	 0.7847745006	 1.391004449	 0.10852
+H	 1.3616387023	 3.0722553635	-0.4187214814	 0.105936
+H	 3.6566608377	 3.4693393671	 0.7401787935	 0.121966
+H	 3.6907205914	 0.6900213796	 0.3418189373	 0.291725
+H	 3.7957688181	 1.8957934489	-1.927723243	 0.124258
+H	 3.5382976183	 6.0784393379	-2.9109542544	 0.193953
+19
+0 6003	2.2053166	0.9938677	0.7300508	1.2577	80.92	-0.23373	0.05114	0.28487	1563.6966	0.15359	-422.488977	-422.478629	-422.477685	-422.524953	36.585
+C	 1.3357418121	 0.6892740095	-0.1307853264	-0.223772
+O	-0.0071013276	 0.8773864519	 0.2439727945	-0.23308
+C	-0.5365441992	-0.2330027168	 0.9390777949	-0.071046
+C	-1.9813505426	 0.046490399	 1.2559497853	-0.07369
+C	-2.6303430972	-0.5581287197	 2.4572397545	 0.073203
+O	-1.8546855042	-1.4154972508	 3.2368684033	-0.41492
+C	-2.3177695607	 0.9361889377	 2.4567756259	-0.270983
+C	-3.371945625	 1.9005619073	 2.3882443065	 0.313722
+C	-4.2726267451	 2.6968922351	 2.3339758468	-0.438655
+H	 1.4571078292	-0.1737580066	-0.8053142167	 0.102498
+H	 1.6597165198	 1.5928546747	-0.6528307168	 0.127209
+H	 1.9872113006	 0.5307460031	 0.7438239721	 0.101903
+H	-0.4594611294	-1.1442062957	 0.3208914658	 0.090007
+H	 0.0285417534	-0.4252597561	 1.8630969307	 0.100482
+H	-2.6173267805	 0.1803888241	 0.3870734526	 0.110193
+H	-3.6816260834	-0.8289479154	 2.370812741	 0.104116
+H	-2.1456147741	-1.3335358894	 4.1512893517	 0.293406
+H	-1.4560224343	 1.2113933948	 3.0589955321	 0.116737
+H	-5.0589318418	 3.4080319034	 2.2810819922	 0.192669
+19
+0 6004	3.3698111	0.7718738	0.668032	2.2528	80.3	-0.23478	0.04821	0.28298999999999996	1656.3482	0.154162	-422.505252	-422.494935	-422.493991	-422.540982	37.082
+O	 1.6074920961	 0.6800055366	-0.0337146685	-0.418384
+C	 0.2435954634	 0.3647653373	 0.1969051685	-0.05831
+C	-0.7082022133	 1.2182009624	-0.6494959509	-0.230882
+C	-2.1549525052	 0.8164630673	-0.4592004893	-0.048611
+C	-2.9571506074	 1.3514322814	 0.6824346396	 0.089581
+O	-2.3025306254	 2.2214178836	 1.5534541996	-0.416112
+C	-3.2748481262	 1.8268343626	-0.7351261592	-0.302358
+C	-4.4853866611	 1.4275587206	-1.3844773371	 0.310887
+C	-5.5064489393	 1.0799861212	-1.9187325172	-0.434745
+H	 1.7557404088	 1.5777976385	 0.2798472599	 0.281469
+H	 0.1363047399	-0.6930089473	-0.0690107739	 0.107351
+H	-0.0216600797	 0.4641888464	 1.2598979889	 0.104702
+H	-0.5814779851	 2.2705140034	-0.3713413583	 0.099254
+H	-0.4266967837	 1.1232907605	-1.7044499157	 0.109584
+H	-2.3908778441	-0.2047300479	-0.7454579513	 0.104119
+H	-3.6889012735	 0.6899680433	 1.1437737296	 0.102327
+H	-2.9482569567	 2.8485194703	 1.8958274935	 0.293554
+H	-2.9253399441	 2.8328443021	-0.9525650412	 0.113172
+H	-6.4048826732	 0.7774545477	-2.3963780471	 0.193402
+19
+0 6005	4.4380465	1.0321431	0.9903738	1.9504	75.22	-0.23036	0.07602	0.30638	1277.6341	0.156189	-422.477434	-422.469209	-422.468264	-422.511154	30.615
+C	 0.2239420051	-0.7611290086	 0.0412825331	-0.385249
+C	 0.9898290758	 0.5102962473	 0.3636334055	-0.040081
+O	 1.6416774899	 0.9519988094	-0.8140634108	-0.258674
+C	 2.327974002	 2.1542841165	-0.6637516997	 0.198109
+C	 3.1221438543	 2.6334479914	-1.8622380354	-0.192835
+C	 4.5117446317	 2.0045199764	-1.6830040141	 0.105363
+O	 4.4779389309	 1.1484025241	-0.5426519537	-0.281796
+C	 3.6951424567	 2.184273957	 0.1026810772	 0.000218
+C	 4.1797855714	 3.2526140206	-0.9417020703	-0.15244
+H	-0.2883732565	-1.1353878874	 0.9327334435	 0.112344
+H	-0.5218858454	-0.5731479248	-0.7363307508	 0.124696
+H	 0.906946054	-1.5353152684	-0.3190209324	 0.132601
+H	 0.3053534716	 1.2933698122	 0.7326904846	 0.082251
+H	 1.7266624108	 0.3218269277	 1.1603049228	 0.093169
+H	 1.6737126781	 2.9523838432	-0.2784277611	 0.065617
+H	 2.7547455885	 3.0022923049	-2.8104915121	 0.095866
+H	 5.1999009143	 1.788871313	-2.4888475186	 0.112471
+H	 3.7862697941	 2.195904115	 1.1862630921	 0.085673
+H	 4.6054883327	 4.2431957106	-0.8796958898	 0.102697
+19
+0 6006	5.2071985	0.9262854	0.8868083	2.202	75.12	-0.23036	0.0814	0.31176000000000004	1355.8025	0.156419	-422.468056	-422.459866	-422.458922	-422.501431	30.457
+C	 1.4089814141	-0.0732232362	-0.0083600711	-0.225437
+O	 0.0039913967	-0.0184586162	 0.0354487473	-0.233388
+C	-0.4839147723	 0.7265775141	 1.132186201	-0.074312
+C	-1.9981347024	 0.74078916	 1.0690323684	-0.027943
+C	-2.63876623	-0.6226917079	 1.3363317535	-0.09606
+C	-3.9654459071	-0.2888960398	 2.0378471601	 0.071351
+O	-4.0972437979	 1.1329274929	 2.0858671288	-0.294727
+C	-2.6787452612	 1.1623952274	 2.4047642691	 0.05516
+C	-2.7137047808	-0.3525206018	 2.8403020351	-0.149877
+H	 1.8289478366	-0.5504890235	 0.8917601643	 0.102172
+H	 1.6872092365	-0.6654465878	-0.883580079	 0.126975
+H	 1.855701327	 0.9296914118	-0.1017524787	 0.103017
+H	-0.141574463	 0.2787155352	 2.0818559149	 0.082761
+H	-0.0921710091	 1.7584745565	 1.097090422	 0.083501
+H	-2.3412849915	 1.2924294898	 0.1874023336	 0.081264
+H	-2.455511808	-1.5604405328	 0.8294601301	 0.099976
+H	-4.8567151367	-0.9013364426	 2.0140215858	 0.110746
+H	-2.3773553164	 2.0362389446	 2.9801062344	 0.085939
+H	-2.4089929245	-0.9059914636	 3.7169000105	 0.098883
+19
+0 6007	5.1865875	0.8578607	0.8273127	2.0944	74.25	-0.22921	0.07648	0.30569	1406.9645	0.156746	-422.482782	-422.474538	-422.473594	-422.516179	31.011
+O	 1.4820444504	 0.9232966946	-0.1594441028	-0.42078
+C	 0.1898681966	 0.4500458737	 0.1896567363	-0.072431
+C	-0.8248272375	 1.1835751935	-0.6799457176	-0.192863
+C	-2.2612851073	 0.7308392417	-0.4405546107	-0.013658
+C	-2.9003317774	 1.2447823099	 0.8564658765	-0.114827
+C	-4.3896374096	 1.4192119823	 0.5064477505	 0.075517
+O	-4.5874906746	 0.9641982246	-0.8316820554	-0.295322
+C	-3.326471201	 1.6207706165	-1.1430570473	 0.056104
+C	-3.4276494244	 2.5002136973	 0.1618487192	-0.144679
+H	 2.1280244718	 0.4659199347	 0.3864624783	 0.285308
+H	 0.1037936682	-0.6363029788	 0.0223650032	 0.08557
+H	-0.0261505381	 0.6331347069	 1.2544990937	 0.085499
+H	-0.7292141756	 2.2604510039	-0.4953735543	 0.104793
+H	-0.5562868321	 1.0151143349	-1.7305048117	 0.103805
+H	-2.377156801	-0.339162246	-0.6542076822	 0.071689
+H	-2.5545212745	 1.1425742215	 1.8775435889	 0.090101
+H	-5.2071696421	 1.3590389518	 1.2123721594	 0.109521
+H	-3.2401175875	 1.9391327502	-2.1805107081	 0.086815
+H	-3.3712540046	 3.5564931868	 0.3823831041	 0.099838
+19
+0 6008	5.6830633	0.8781544	0.8669099	2.3252	75.89	-0.23049	0.08041	0.3109	1399.8361	0.155686	-422.45282	-422.444594	-422.443649	-422.486378	30.645
+C	 0.0790733847	-0.4553146204	 0.6619421596	-0.384598
+C	 1.0604061939	-0.0079897752	-0.4077759234	-0.039384
+O	 1.3549150982	 1.3631179362	-0.2022164515	-0.265897
+C	 2.2240501466	 1.9048251118	-1.1585002746	 0.130441
+C	 2.6912012678	 3.326175477	-0.8311652392	-0.14185
+C	 3.7822121635	 2.8065118883	 0.1615442159	 0.10112
+O	 4.8698929391	 3.56141353	-0.4503015821	-0.327921
+C	 4.0490675536	 3.1108772433	-1.5684983929	 0.081576
+C	 3.7458138163	 1.7096713491	-0.9532918308	-0.140889
+H	-0.1736344385	-1.5116016596	 0.5303415222	 0.115444
+H	 0.5106951326	-0.3229548089	 1.6581182188	 0.126981
+H	-0.841402203	 0.1327732314	 0.6072956998	 0.127765
+H	 1.9830048492	-0.6087407615	-0.3617100969	 0.08943
+H	 0.6307391934	-0.1528499802	-1.4131230008	 0.087604
+H	 1.8496705418	 1.7296151796	-2.1783193901	 0.065003
+H	 2.1197033695	 4.2499855769	-0.7562780956	 0.088184
+H	 3.7534924212	 2.7088827013	 1.2443233255	 0.104826
+H	 4.3445394602	 3.3810600008	-2.5811390982	 0.097421
+H	 4.3728378499	 0.8213830001	-1.0191334456	 0.084745
+19
+0 6009	5.6925986	0.850116	0.8408494	2.2441	75.99	-0.23198	0.07636	0.30834	1422.7453	0.155906	-422.444873	-422.436649	-422.435705	-422.478392	30.431
+C	 1.5676626607	-0.0911773153	-0.0662345693	-0.224789
+O	 0.1644391234	-0.0773922679	 0.0343220201	-0.232803
+C	-0.3014248567	 0.6315498741	 1.1634433566	-0.081039
+C	-1.8142125797	 0.5570462091	 1.1784789047	-0.046449
+C	-2.5937279782	 1.5406891719	 2.0821031232	-0.114756
+C	-2.4951407823	 2.7026600472	 1.0395916366	 0.086063
+O	-3.9261105524	 2.9809617395	 1.0305298405	-0.328734
+C	-3.8270794488	 1.5297579734	 1.1254134113	 0.084079
+C	-2.6054845894	 1.4120262931	 0.1624562069	-0.085577
+H	 2.0362981865	-0.5689204168	 0.8091413954	 0.103061
+H	 1.8270712095	-0.6626278276	-0.960816435	 0.127573
+H	 1.9822041863	 0.9252994543	-0.1620055354	 0.102843
+H	 0.1137230774	 0.194350083	 2.0888902059	 0.084737
+H	 0.0390849045	 1.6815208302	 1.1251194732	 0.081302
+H	-2.1381873687	-0.4872965378	 1.2430172357	 0.078338
+H	-2.6118330481	 1.6359667807	 3.1680753917	 0.082882
+H	-1.8055081525	 3.5434451103	 0.980524118	 0.097293
+H	-4.7414805507	 0.9391399581	 1.1728390932	 0.096804
+H	-2.6318163508	 1.3594707906	-0.9249053833	 0.089173
+19
+0 6010	5.6306739	0.7933936	0.7868397	2.3571	74.92	-0.23304	0.07152	0.30456	1471.783	0.156317	-422.459168	-422.450934	-422.44999	-422.492633	30.956
+O	 1.4903609793	 0.8342337071	-0.0460357087	-0.417191
+C	 0.5174854658	-0.0335467405	 0.5120034028	-0.051691
+C	-0.7398762315	 0.7012572769	 0.9847958437	-0.237879
+C	-1.8003660596	-0.2381505553	 1.5468245031	-0.035694
+C	-3.2275633072	 0.3051445029	 1.7922670489	-0.111625
+C	-3.6412272134	 0.125062119	 0.2949317929	 0.090404
+O	-4.8520760477	-0.6303448169	 0.5924145753	-0.328904
+C	-3.8709796097	-1.0972571393	 1.5648526293	 0.085135
+C	-2.6703981508	-1.0698709983	 0.5695291104	-0.095235
+H	 1.7641461938	 1.4494473376	 0.641777005	 0.280172
+H	 0.2616853263	-0.7392333371	-0.285927468	 0.114564
+H	 0.9371433659	-0.6265948468	 1.3416009177	 0.085313
+H	-0.4550850384	 1.4287270885	 1.7594525135	 0.086514
+H	-1.1412750676	 1.2818220151	 0.1453594178	 0.104829
+H	-1.3977060866	-0.8207283251	 2.3852598669	 0.06871
+H	-3.5751231128	 1.0797592551	 2.4765000922	 0.082115
+H	-3.6671202445	 0.8425391749	-0.5237723833	 0.099545
+H	-4.163774483	-1.8586727331	 2.2872158966	 0.096304
+H	-2.3925598882	-1.8565017647	-0.1321798961	 0.084615
+19
+0 6011	5.6844469	0.8305198	0.8130306	1.4703	75.71	-0.22654	0.05981	0.28635	1471.9337	0.154943	-422.456653	-422.448091	-422.447146	-422.490423	32.008
+C	 0.4744992783	-0.6724120583	-0.136191987	-0.386139
+C	 1.0870938469	 0.6004487042	 0.4209576762	-0.038149
+O	 1.5569958625	 1.3833059623	-0.6681446669	-0.269431
+C	 2.1708076701	 2.5648857637	-0.2684672151	 0.12497
+C	 1.2564978664	 3.7721363151	-0.1465404059	-0.143817
+C	 2.0478186956	 5.0510648913	 0.2578879781	 0.010393
+O	 3.4303909295	 4.7120944282	 0.4649639186	-0.244903
+C	 2.9514319345	 4.8917736977	-0.8781246149	 0.012238
+C	 2.1972025505	 3.608574238	-1.342797448	-0.152277
+H	 0.1069774656	-1.3050216052	 0.6772526869	 0.11572
+H	-0.3630529633	-0.4380737425	-0.7994789883	 0.12567
+H	 1.2162557421	-1.2370063735	-0.7081218137	 0.128332
+H	 0.3467264824	 1.1708439888	 1.0029629782	 0.090327
+H	 1.9227128254	 0.3660192199	 1.0997636623	 0.092123
+H	 3.0087326385	 2.4432396809	 0.4135527672	 0.112896
+H	 0.1796795244	 3.6751238115	-0.1286983436	 0.09769
+H	 1.6695279824	 5.9292554233	 0.7674004444	 0.110285
+H	 3.4701153105	 5.6098015261	-1.5016759377	 0.110913
+H	 1.9431934675	 3.3762227683	-2.367832451	 0.10316
+19
+0 6012	5.4978265	0.8151283	0.7935174	2.4349	75.85	-0.23189	0.05858	0.29047	1491.0069	0.155358	-422.454227	-422.445666	-422.444722	-422.488049	31.634
+C	 1.3100422616	-0.1150467544	 0.0048378457	-0.223363
+O	-0.0876852049	 0.0416356389	 0.004906114	-0.230875
+C	-0.5473477791	 0.8438094404	 1.0729524318	-0.102326
+C	-2.0393734559	 1.0123916786	 0.9459385096	-0.024338
+C	-2.805313387	 1.231184465	 2.227296931	-0.123113
+C	-4.3292108614	 1.4525994863	 1.9537190838	 0.005395
+O	-4.5760235702	 1.4171814375	 0.5410437149	-0.238015
+C	-4.4182258031	 0.1786841641	 1.2504223758	 0.008125
+C	-2.8990881197	-0.0987318503	 1.4900305726	-0.091435
+H	 1.6688397474	-0.6042736578	 0.9251537722	 0.100173
+H	 1.5693456193	-0.7426843364	-0.8512621356	 0.127253
+H	 1.8319152952	 0.8507588276	-0.0919984322	 0.102469
+H	-0.2879877668	 0.3787061841	 2.0407057509	 0.078211
+H	-0.054358678	 1.831052602	 1.0487392958	 0.08964
+H	-2.3651863031	 1.5272242685	 0.0501576546	 0.118466
+H	-2.3302885956	 1.4432692249	 3.1763949264	 0.090568
+H	-5.0339843334	 1.9927057271	 2.5740358068	 0.108847
+H	-5.2141345298	-0.5511783992	 1.1675795564	 0.10919
+H	-2.4992646656	-1.0617146269	 1.7778801755	 0.09513
+19
+0 6013	5.3931218	0.7665261	0.7469617	1.5831	74.69	-0.23191	0.05866	0.29057	1532.3851	0.15591	-422.469637	-422.461101	-422.460157	-422.503328	32.126
+O	 1.3208668717	 0.236689378	 0.4895290715	-0.417962
+C	 0.1189124689	 0.0594331831	-0.2423574716	-0.050379
+C	-0.6296840199	 1.3748067378	-0.4824809976	-0.260281
+C	-1.8918731277	 1.1829072747	-1.2987081121	-0.010732
+C	-1.757392839	 1.2042041331	-2.8032969538	-0.102001
+C	-3.1204342123	 0.9219497514	-3.5136893122	 0.008593
+O	-4.1361789975	 0.680656249	-2.5279066587	-0.240426
+C	-3.7512979298	 2.0340293463	-2.8126456896	 0.008087
+C	-2.4158975136	 2.3672468647	-2.0706330668	-0.126395
+H	 1.0869294164	 0.5695378036	 1.3618351234	 0.280317
+H	 0.4154416922	-0.3797183857	-1.2004264896	 0.114277
+H	-0.549209844	-0.6654263347	 0.2501674035	 0.088917
+H	-0.8907724786	 1.8201873133	 0.488415732	 0.090033
+H	 0.0503295428	 2.0788183064	-0.9769009318	 0.103142
+H	-2.6204303882	 0.5017748638	-0.8719072663	 0.111152
+H	-0.8021419054	 1.1899635439	-3.311860949	 0.093835
+H	-3.2730559332	 0.5053806981	-4.5018681419	 0.10884
+H	-4.5323552402	 2.7266788316	-3.1017110036	 0.109138
+H	-2.0386993726	 3.3726862815	-1.9366325659	 0.091844
+19
+0 6014	4.8248364	0.7478051	0.6844055	4.6139	76.59	-0.27425	0.00345	0.2777	1655.2277	0.155951	-422.555367	-422.546428	-422.545484	-422.589817	32.403
+C	 1.2944051331	-0.7044061726	-1.0374463249	-0.383618
+C	 1.0083002489	 0.1324474701	 0.2115822087	-0.157542
+C	 1.5799720113	 1.554221849	 0.1205219503	-0.223673
+C	 1.2738049022	 2.4006111066	 1.339088417	-0.03936
+C	 2.1937505738	 3.4982032838	 1.7230789067	 0.062905
+O	 1.6190261915	 4.2524815977	 2.8251963912	-0.265704
+C	 1.7255448703	 3.1340805557	 3.6528620857	 0.468735
+O	 1.5013578611	 3.0779409893	 4.8167392271	-0.324703
+C	 2.2232036859	 2.2388761513	 2.5515296014	-0.281737
+H	 0.8736488458	-1.7100453867	-0.9453046322	 0.118798
+H	 0.8618506573	-0.2429009286	-1.9320092887	 0.117595
+H	 2.3717647099	-0.8087195112	-1.2076371155	 0.116145
+H	-0.0751388427	 0.1925872912	 0.3757730117	 0.104164
+H	 1.4214800893	-0.3665959767	 1.0966556876	 0.104924
+H	 2.6667179695	 1.5053030759	-0.0313221872	 0.098971
+H	 1.1697755778	 2.0571596662	-0.7651434326	 0.110724
+H	 0.2178503065	 2.554558088	 1.550651524	 0.114471
+H	 2.9567476385	 3.9839435674	 1.1314050875	 0.13178
+H	 2.9433026201	 1.4377443234	 2.6310828922	 0.127124
+19
+0 6015	4.6159563	0.8079759	0.7298909	2.8474	78.78	-0.23763	-0.00931	0.22832	1571.5269	0.155026	-422.532059	-422.522991	-422.522047	-422.566619	32.919
+C	 1.0186410004	 0.423702203	-2.6970306642	-0.386822
+C	 0.5469196099	 0.6327608874	-1.2696369278	-0.045687
+O	 1.3995753319	 1.5943908988	-0.6541331954	-0.256291
+C	 1.0961521369	 1.8409155316	 0.6714754996	 0.125867
+C	 1.5603519827	 3.1361862287	 1.1991577654	-0.105626
+C	 1.2801556491	 3.208330015	 2.7079981876	-0.371911
+C	-0.2331046784	 3.0797603488	 2.3664211801	 0.409801
+O	-1.2288436153	 3.1993173342	 3.023112622	-0.316014
+C	 0.0400047692	 2.9476925564	 0.9050352153	-0.211947
+H	 0.3859523585	-0.3134349528	-3.1998993073	 0.120604
+H	 0.972799455	 1.3609807783	-3.2586312447	 0.129608
+H	 2.0513281154	 0.0643029919	-2.7126856528	 0.130295
+H	-0.4941793259	 0.9876000074	-1.2460867017	 0.099555
+H	 0.5840236742	-0.3108419923	-0.7031450654	 0.096232
+H	 1.0883555605	 0.952619579	 1.3084831878	 0.095686
+H	 2.2480595499	 3.7616322895	 0.6467545326	 0.116
+H	 1.727262869	 2.433370814	 3.3382688375	 0.120906
+H	 1.4827981786	 4.1896174809	 3.1459374746	 0.137304
+H	-0.5660917616	 3.2783659701	 0.0711302469	 0.112438
+19
+0 6016	5.8352419	0.7317869	0.6894259	3.491	78.61	-0.2411	-0.00841	0.23269	1637.1756	0.155537	-422.528918	-422.51984	-422.518895	-422.563526	32.497
+C	 1.4830211078	-0.3821312006	 0.5908233085	-0.227365
+O	 0.0829714709	-0.3354401083	 0.7359609764	-0.233408
+C	-0.4594136674	 0.9233275378	 0.4010651084	-0.093221
+C	-1.96153953	 0.8342383928	 0.5028156434	-0.028295
+C	-2.6029688892	 1.0375314663	 1.8274573887	-0.045652
+C	-4.1103970835	 0.762016018	 1.7154802174	-0.371421
+C	-4.1699049014	 1.9257212031	 0.6852504062	 0.410029
+O	-5.0777307483	 2.5249676509	 0.1837882023	-0.313822
+C	-2.6890873296	 2.1550671538	 0.7526425164	-0.192048
+H	 1.9876394988	 0.3414899427	 1.2507736184	 0.104522
+H	 1.8054904615	-1.3902946582	 0.8610128305	 0.130708
+H	 1.7938259927	-0.1741018076	-0.4453384839	 0.106251
+H	-0.076146725	 1.7059294674	 1.0792404235	 0.085347
+H	-0.1631989732	 1.2095470612	-0.6223968089	 0.095616
+H	-2.4033250224	 0.1158750711	-0.1849739418	 0.1016
+H	-2.0382240314	 1.0739933983	 2.7493209344	 0.108564
+H	-4.4074516093	-0.2365460658	 1.3820672556	 0.123283
+H	-4.6858059842	 1.0304611572	 2.6061418397	 0.133075
+H	-2.1726213868	 3.1036986999	 0.6660348247	 0.106237
+19
+0 6017	4.2935947	0.7559957	0.6793857	3.775	77.34	-0.24127	-0.00938	0.23189	1625.9004	0.156032	-422.543765	-422.534721	-422.533777	-422.578228	33.008
+O	 1.407554676	-0.5786662704	 5.8305995075	-0.414567
+C	 1.8027990347	 0.122468379	 4.6645028719	-0.053405
+C	 0.6090810772	 0.5947446629	 3.82700345	-0.255101
+C	 1.0233632974	 1.3695092654	 2.5918500788	-0.009716
+C	 0.090285809	 2.3619155111	 1.9984427403	-0.076112
+C	 0.6725781626	 2.9021469184	 0.6826553991	-0.372944
+C	 1.8695036968	 3.4378818	 1.5204093529	 0.411595
+O	 2.7725887331	 4.1825795639	 1.2654127665	-0.314132
+C	 1.329022712	 2.8590583849	 2.7920195042	-0.174517
+H	 0.9724248158	-1.3916786288	 5.5548382396	 0.282047
+H	 2.3767099911	 0.9861220804	 5.0156422025	 0.120422
+H	 2.4817634243	-0.4811599586	 4.040574422	 0.089974
+H	 0.0199152669	-0.2803939538	 3.5175217681	 0.094638
+H	-0.045467272	 1.2058023447	 4.4592495663	 0.110781
+H	 1.6669445388	 0.8126322331	 1.9111425567	 0.09291
+H	-0.9426743624	 2.4517498881	 2.3082387126	 0.105322
+H	 0.8815681308	 2.1721130666	-0.1050341573	 0.119269
+H	 0.1170058652	 3.7423433788	 0.2562516213	 0.133741
+H	 1.4127335327	 3.2770137543	 3.788023227	 0.109796
+19
+0 6018	3.257361	0.9403899	0.8299851	3.0899	76.16	-0.25816	-0.0118	0.24636	1445.8087	0.155224	-422.499863	-422.490913	-422.489969	-422.534338	32.53
+C	 1.5769791101	-0.938525956	 0.9424420463	-0.38219
+C	 1.1397785684	-0.0247328102	-0.2048754553	-0.160763
+C	 1.7641226802	 1.3757199803	-0.1250163447	-0.236818
+C	 1.3461983248	 2.2754053822	-1.2770696718	 0.021997
+C	 1.5759560643	 3.8118077071	-1.2466224314	-0.098921
+O	 0.5013371134	 3.9515060012	-2.2647182385	-0.303119
+C	-0.0623173286	 2.9362621975	-1.3366831023	-0.079945
+C	 0.4046073865	 3.9230356941	-0.2278263264	 0.454694
+O	 0.0350242129	 4.5152965425	 0.7297581747	-0.310658
+H	 1.1181738522	-1.9283105263	 0.8589203811	 0.116354
+H	 2.6641232519	-1.0741252437	 0.9481599666	 0.116836
+H	 1.2910531618	-0.5191609636	 1.9132095	 0.120479
+H	 1.4066144375	-0.4842509038	-1.1654280068	 0.100734
+H	 0.0458523459	 0.0658127539	-0.2052521286	 0.102002
+H	 1.4970286459	 1.8411159782	 0.8331670755	 0.113218
+H	 2.8586423793	 1.2877474204	-0.1257782676	 0.106133
+H	 1.6098913221	 1.8790934095	-2.2622593252	 0.095701
+H	 2.4853403837	 4.3925788521	-1.3875979645	 0.111689
+H	-1.0346865124	 2.5147213845	-1.5825342311	 0.112576
+19
+0 6019	3.2311071	1.0761345	0.9290867	3.5569	77.11	-0.24082	0.01495	0.25577	1329.7987	0.155945	-422.517158	-422.508436	-422.507491	-422.551327	31.969
+C	 1.5879480827	-0.6989890991	-1.2697997827	-0.386736
+C	 1.1990558822	-0.0621075163	 0.052365901	-0.048298
+O	 1.7443236047	 1.249663528	 0.0943884356	-0.262412
+C	 1.4176967158	 1.961560846	 1.2409842772	 0.182444
+C	 2.183620809	 3.2986103356	 1.4327299008	-0.219508
+C	 1.7883710999	 3.16770671	 2.9436665718	-0.248106
+C	 2.2208902428	 1.7087186497	 2.5756057558	-0.226522
+C	 3.3769379917	 2.3998695699	 1.8267571434	 0.458049
+O	 4.5537085118	 2.3176907117	 1.6781375457	-0.320264
+H	 1.1847164234	-1.7138017089	-1.3353799381	 0.116944
+H	 1.1975717041	-0.1138149315	-2.1070844622	 0.129004
+H	 2.6760764945	-0.7494285013	-1.3639763848	 0.136092
+H	 0.1026469085	-0.013161588	 0.1552933272	 0.09015
+H	 1.5800996916	-0.6560140331	 0.8973564391	 0.096679
+H	 0.3313721729	 2.0314278694	 1.3940858285	 0.076761
+H	 2.1458908747	 4.1816001563	 0.7997401189	 0.097944
+H	 2.4046825457	 3.701283962	 3.6663531149	 0.123719
+H	 0.7222393778	 3.2906828287	 3.1475438954	 0.110569
+H	 2.2218607562	 0.8314768309	 3.2182059023	 0.093493
+19
+0 6020	3.27508	1.0214127	0.8968164	2.5012	77.21	-0.24253	0.01205	0.25458	1358.5986	0.156247	-422.508644	-422.499902	-422.498958	-422.542836	31.705
+C	 1.376862214	 0.022298015	-0.2511175416	-0.225782
+O	-0.0070721198	-0.0341045186	 0.004012489	-0.234844
+C	-0.3728970693	 0.623504663	 1.198230015	-0.112647
+C	-1.8751502314	 0.5058458307	 1.3483295231	 0.015434
+C	-2.5176291263	-0.8616422309	 1.7803817445	-0.16368
+C	-3.765815641	-0.0102038115	 2.1999074732	-0.243704
+C	-2.5597697654	 0.8475323193	 2.7180643778	-0.19108
+C	-2.0013204927	-0.5108421009	 3.1857844386	 0.442898
+O	-1.4760263326	-1.0139339973	 4.1293401777	-0.331159
+H	 1.95992781	-0.4599504546	 0.549050189	 0.109479
+H	 1.558102177	-0.50784261	-1.1891011425	 0.128593
+H	 1.730819904	 1.0604086569	-0.3545814362	 0.10411
+H	 0.1478675508	 0.1778514589	 2.0625122437	 0.106246
+H	-0.0804396284	 1.6877345153	 1.1584485779	 0.087686
+H	-2.3890911003	 0.9520933774	 0.4921193003	 0.088191
+H	-2.4982936268	-1.8046538259	 1.2403972539	 0.100365
+H	-4.3084236664	 0.4358088284	 1.3635051303	 0.11132
+H	-4.4405100559	-0.4334350722	 2.945616813	 0.115875
+H	-2.5920799795	 1.8064473671	 3.2311272934	 0.0927
+19
+0 6021	3.2368401	0.9548671	0.8424743	2.1411	76.	-0.24527	0.00925	0.25451999999999997	1398.4102	0.156739	-422.523434	-422.514712	-422.513768	-422.557543	32.182
+O	-0.3965164329	-1.8237164929	 0.6788625283	-0.415902
+C	 0.0668865272	-0.4970009014	 0.4970888273	-0.053853
+C	-0.4373983142	 0.4614239181	 1.5810874372	-0.267031
+C	-0.0270497528	 1.9042570155	 1.3270129631	 0.028115
+C	-0.1678281352	 2.9854665243	 2.4600355506	-0.1876
+C	 0.8637670205	 3.8294218224	 1.6373489086	-0.243782
+C	 1.4567130406	 2.3811531814	 1.5691686769	-0.177753
+C	 1.0835282604	 2.3207136574	 3.0603608708	 0.448867
+O	 1.5237392978	 1.9581743826	 4.1065028836	-0.331819
+H	-0.0298396233	-2.1534326651	 1.5056270848	 0.283803
+H	 1.1668278146	-0.4593301527	 0.4442102347	 0.09158
+H	-0.3107300429	-0.1847003311	-0.4832736779	 0.110915
+H	-1.5312132213	 0.3919406069	 1.6215812994	 0.112305
+H	-0.0643736514	 0.1277058626	 2.5589194867	 0.107192
+H	-0.4138643856	 2.2707439801	 0.3697234979	 0.081078
+H	-1.0794064363	 3.3273379861	 2.9457235134	 0.093648
+H	 0.4813959932	 4.2056436174	 0.685737915	 0.110229
+H	 1.4394745735	 4.5857118217	 2.1730884502	 0.116248
+H	 2.3614959883	 2.0543799668	 1.0611191993	 0.093761
+19
+0 6022	4.7538615	0.9452703	0.9273608	2.5669	77.	-0.23707	0.00163	0.2387	1349.2507	0.156166	-422.498271	-422.489921	-422.488977	-422.531912	31.25
+C	 0.1743905313	-0.4374323838	-0.6461872838	-0.385305
+C	 1.0836638089	 0.0903767446	 0.4495765315	-0.046417
+O	 1.4609203204	 1.417815699	 0.1166893447	-0.258683
+C	 2.2330124664	 2.045530795	 1.079732643	 0.189278
+C	 2.7209110955	 3.4658351351	 0.6397113936	-0.028195
+C	 3.4988632902	 3.8840511274	 1.8922068001	-0.087434
+C	 4.2475147314	 2.7969763286	 2.1131948795	-0.082536
+C	 3.8108456498	 1.8870451463	 0.9648438354	-0.034743
+O	 3.749418476	 2.8107360291	-0.1641052039	-0.27847
+H	-0.1375857126	-1.4616357463	-0.4211410924	 0.115139
+H	-0.7185872487	 0.187368854	-0.7365050718	 0.127836
+H	 0.6935524514	-0.4344508972	-1.6084612531	 0.133303
+H	 0.5676732708	 0.0807282288	 1.4238893596	 0.089499
+H	 1.9778060657	-0.5449184202	 0.5493602682	 0.091914
+H	 1.8017522361	 1.943459643	 2.085781198	 0.066517
+H	 2.0914962761	 4.169764819	 0.0982810235	 0.085076
+H	 3.4060765404	 4.8066912051	 2.4454406445	 0.111769
+H	 4.9430923015	 2.566637854	 2.9067059989	 0.110224
+H	 4.3223975992	 0.9475219685	 0.7619337948	 0.08123
+19
+0 6023	4.7156485	0.9363668	0.9120482	1.4247	76.18	-0.23504	-0.00025	0.23479	1352.3162	0.156609	-422.492542	-422.484212	-422.483268	-422.526092	30.995
+C	 1.4185399335	-0.1620686963	-0.0480769996	-0.224077
+O	 0.0236118954	 0.0053295694	 0.0266695588	-0.239632
+C	-0.3819348352	 0.7213508857	 1.1773863198	-0.093131
+C	-1.893066416	 0.8312255581	 1.1423411259	 0.009461
+C	-2.5901429336	 1.2110350304	 2.4926604157	-0.005358
+O	-2.3718412168	-0.1715092493	 2.9307751712	-0.289051
+C	-2.6824186062	-0.4673057409	 1.5261752906	 0.018728
+C	-4.1373659629	 0.0218616638	 1.4216127306	-0.08083
+C	-4.0747027092	 1.1783010351	 2.0849777802	-0.084231
+H	 1.8110030653	-0.7197109127	 0.8170913438	 0.10526
+H	 1.6333650529	-0.7262148231	-0.95911542	 0.125514
+H	 1.9447755924	 0.8049325947	-0.0971203575	 0.101818
+H	-0.0590221734	 0.2072667105	 2.0940870158	 0.105929
+H	 0.0697808403	 1.7295252159	 1.1790247893	 0.080564
+H	-2.2298683993	 1.3575875687	 0.2464313452	 0.080217
+H	-2.2209038719	 1.9710539587	 3.1809187159	 0.078413
+H	-2.4004089181	-1.464679354	 1.1945253582	 0.086877
+H	-4.9588465423	-0.4686288976	 0.9212504318	 0.11208
+H	-4.8278998951	 1.9226147528	 2.295654214	 0.111449
+19
+0 6024	4.7093533	0.8706005	0.8496796	2.6921	75.41	-0.23572	0.00053	0.23625000000000002	1400.1168	0.15693	-422.506709	-422.498346	-422.497401	-422.54021	31.522
+O	 1.5146293121	 0.9362308557	-0.0202230901	-0.418536
+C	 0.1957634842	 0.4772618156	 0.2326636829	-0.073318
+C	-0.7491175013	 1.2534804883	-0.6788399634	-0.209653
+C	-2.1961007784	 0.8009722736	-0.5527846735	 0.015393
+C	-3.2768442364	 1.7355203253	-1.2027903035	-0.000806
+O	-3.1370446792	 2.6165579259	-0.0392245857	-0.284814
+C	-3.0166837029	 1.3440179314	 0.6765285541	 0.007533
+C	-4.39520324	 0.7103523028	 0.4247843261	-0.082071
+C	-4.5750606422	 0.9811123355	-0.8701429754	-0.08316
+H	 2.1142645455	 0.4701615097	 0.5694806814	 0.285135
+H	 0.1051428597	-0.603629917	 0.0319963173	 0.081666
+H	-0.0848928975	 0.6351500796	 1.286880931	 0.08484
+H	-0.6722568918	 2.3211495878	-0.4561773825	 0.125187
+H	-0.4116649186	 1.1113566864	-1.7133984157	 0.103707
+H	-2.3103179671	-0.2674627388	-0.7600860783	 0.0697
+H	-3.1505254982	 2.2295830075	-2.1657322072	 0.079518
+H	-2.6236540896	 1.4282351521	 1.6892620637	 0.078838
+H	-5.0136214775	 0.1817196549	 1.1347808151	 0.109913
+H	-5.3849244509	 0.7414966838	-1.5429115861	 0.110929
+19
+0 6025	3.5618463	0.9580247	0.8155107	2.6755	76.01	-0.24277	-0.02931	0.21346	1435.8309	0.155247	-422.529983	-422.520912	-422.519968	-422.564373	32.764
+C	 1.282414144	-0.7553516224	-1.0770138482	-0.384347
+C	 0.9991182268	 0.0397534582	 0.1997507721	-0.167999
+C	 1.6013796652	 1.4505541914	 0.1641235229	-0.200479
+C	 1.3304956651	 2.2465030381	 1.4439315762	-0.16016
+C	 2.0110856818	 3.6224242348	 1.5795067767	 0.017233
+O	 1.7146916922	 4.0896679839	 2.8871595406	-0.23254
+C	 2.8502849855	 3.2104595911	 2.7355986565	-0.112596
+C	 2.2579979453	 1.8087719886	 2.628996545	 0.420776
+O	 2.5408939688	 0.7475463852	 3.1013326269	-0.303749
+H	 0.8359164735	-1.753132244	-1.0293383243	 0.116261
+H	 0.8756181237	-0.2501418879	-1.960428546	 0.111605
+H	 2.3594044421	-0.8808840958	-1.2344541837	 0.116254
+H	-0.0852950987	 0.118967608	 0.3520506264	 0.096214
+H	 1.3944811216	-0.4934431942	 1.0707215064	 0.131018
+H	 2.6846094596	 1.3830028955	-0.0071059399	 0.099134
+H	 1.1911079497	 2.0069849559	-0.6895697081	 0.099833
+H	 0.2614602892	 2.2814335782	 1.6735829533	 0.108552
+H	 2.2469751374	 4.3490433854	 0.811221733	 0.122146
+H	 3.8099783275	 3.5592946399	 3.097691784	 0.122844
+19
+0 6026	3.0039691	1.077476	0.8914162	3.9514	77.43	-0.23869	-0.01416	0.22453	1359.3605	0.155453	-422.533102	-422.52403	-422.523086	-422.567843	32.613
+C	 2.4324450908	-0.8151728761	 1.1592338721	-0.385502
+C	 1.7455861855	-0.2027829448	-0.0486175638	-0.039998
+O	 2.2450975024	 1.1148898847	-0.2280201236	-0.250115
+C	 1.6477905073	 1.8091433569	-1.2795744472	-0.000703
+C	 2.0966574765	 1.5189467553	-2.7269134861	-0.080479
+C	 3.5525215435	 1.7862468193	-2.8469905707	-0.280978
+C	 2.6029651069	 2.9805215711	-2.8851099697	-0.176926
+C	 2.142929744	 3.2761305959	-1.4930425942	 0.390431
+O	 2.0197336128	 4.274009806	-0.8435837944	-0.312629
+H	 2.0683188144	-1.8328712008	 1.3285234571	 0.116298
+H	 3.5146045741	-0.854609854	 1.0061589222	 0.127972
+H	 2.2345649062	-0.2197404489	 2.0546915887	 0.132976
+H	 1.9337341554	-0.8071119463	-0.9501501163	 0.092917
+H	 0.6534569153	-0.1679715627	 0.0984081837	 0.090954
+H	 0.5490762981	 1.8130028923	-1.1877541135	 0.090606
+H	 1.5310399473	 0.9621368693	-3.4620992439	 0.103974
+H	 4.1981128092	 1.6358748186	-1.9881648125	 0.14054
+H	 4.0118094146	 1.5619441426	-3.8037070196	 0.126809
+H	 2.5627485657	 3.6428872416	-3.7402550883	 0.113853
+19
+0 6027	3.0933986	1.0281911	0.829887	2.5236	77.53	-0.24118	-0.01006	0.23112	1409.2341	0.15582	-422.529541	-422.520488	-422.519544	-422.564098	32.395
+C	 1.415879005	-0.0266086488	-0.111527041	-0.228832
+O	 0.0107470609	 0.0321526862	-0.0331149448	-0.24041
+C	-0.4447391795	 0.6593383947	 1.1468791341	-0.071654
+C	-1.9639192511	 0.661891206	 1.1304412587	-0.154911
+C	-2.6443574228	-0.6992275079	 1.3591772691	-0.032615
+C	-4.1104110193	-0.5084045346	 1.4619988721	-0.292773
+C	-3.2683700854	-0.20907823	 2.6995274024	-0.169286
+C	-2.5405146773	 1.0829633257	 2.5158370191	 0.407907
+O	-2.283632351	 2.003412039	 3.2413670484	-0.328228
+H	 1.8484349752	-0.5994384288	 0.7241566143	 0.10483
+H	 1.6703206098	-0.524489024	-1.050253646	 0.128013
+H	 1.8677863975	 0.9777216567	-0.1070728704	 0.107447
+H	-0.0705109658	 0.1238358682	 2.0368634862	 0.088808
+H	-0.0751240456	 1.6947943307	 1.2137120105	 0.107013
+H	-2.3219506628	 1.213561588	 0.2549862092	 0.098514
+H	-2.1738810218	-1.6558287914	 1.1784284346	 0.114222
+H	-4.5987972484	 0.3014650838	 0.9266177269	 0.124217
+H	-4.7153063592	-1.4040653357	 1.5593073456	 0.127806
+H	-3.4423787883	-0.7253937878	 3.635287531	 0.109933
+19
+0 6028	3.5759184	0.9506534	0.8113276	3.2925	76.35	-0.24114	-0.01198	0.22916	1416.8435	0.15642	-422.543967	-422.534962	-422.534018	-422.57819	32.884
+O	-0.6914516064	-0.8465239076	-0.5899848028	-0.419181
+C	-0.150592188	 0.419504684	-0.2434753846	-0.074302
+C	-0.5647755531	 0.8618667722	 1.1644791109	-0.227012
+C	-0.0313236991	 2.2507293638	 1.5231815471	-0.129043
+C	-0.3010056438	 2.7495902823	 2.9575667289	-0.055406
+C	 0.3716688866	 4.0544850245	 3.1645806937	-0.294808
+C	 1.2209965996	 2.792640406	 3.2786483633	-0.159642
+C	 1.4754870153	 2.2227051086	 1.9212852748	 0.414168
+O	 2.4293521232	 1.6979190124	 1.4134758049	-0.328548
+H	-0.2300632622	-1.5128997877	-0.0714259058	 0.282279
+H	 0.9436616519	 0.4353588788	-0.3306606453	 0.122943
+H	-0.548916158	 1.1246229373	-0.982264423	 0.106974
+H	-1.6595243746	 0.8575314694	 1.22840501	 0.107416
+H	-0.2017428781	 0.1269995966	 1.8965466349	 0.092156
+H	-0.3033276113	 2.9747121018	 0.7453826024	 0.090718
+H	-1.077777196	 2.3664049499	 3.6062811806	 0.108204
+H	 0.5161353597	 4.7352628733	 2.3298776155	 0.123877
+H	 0.2040153893	 4.5480645559	 4.1163909281	 0.128795
+H	 1.761279685	 2.5602333785	 4.1878939566	 0.110412
+19
+0 6029	3.8852777	1.0434015	0.9164182	2.1341	76.84	-0.24591	-0.00748	0.23843	1327.1019	0.15618	-422.526744	-422.518102	-422.517158	-422.560834	31.639
+C	 0.0256939615	-0.3846827235	-0.5083741867	-0.385264
+C	 1.1271245579	 0.0981257598	 0.419533766	-0.032791
+O	 1.4446418634	 1.4345813425	 0.0734987529	-0.255114
+C	 2.3728963506	 2.0507857958	 0.9360583158	 0.092344
+C	 2.5607448637	 3.4993387973	 0.5193466942	-0.113433
+C	 3.8433056027	 3.8173113692	 0.347848754	-0.085058
+C	 4.7057719865	 2.6107985181	 0.5606236645	-0.00332
+O	 4.4320715661	 1.5566159367	-0.3887264364	-0.246914
+C	 3.8086293006	 1.4972861217	 0.8949166654	-0.005865
+H	-0.2442659775	-1.4188611319	-0.2743762646	 0.113764
+H	-0.8655845829	 0.2406301493	-0.4045031978	 0.124678
+H	 0.3575084895	-0.3388044409	-1.5492635062	 0.133301
+H	 0.7984329481	 0.0494028053	 1.4721461704	 0.081521
+H	 2.0160501811	-0.5448344848	 0.3256902406	 0.097228
+H	 2.0078518099	 1.9885230064	 1.9789780517	 0.06788
+H	 1.7069060163	 4.1432903138	 0.346498708	 0.112111
+H	 4.2296599297	 4.7849249704	 0.0524007874	 0.107583
+H	 5.7352715391	 2.6771755656	 0.8988334393	 0.099359
+H	 4.1043474635	 0.6635549892	 1.5255404715	 0.097989
+19
+0 6030	3.8853459	0.9775856	0.8583245	2.8482	76.8	-0.24674	-0.00094	0.2458	1380.4814	0.156522	-422.527268	-422.518674	-422.51773	-422.561111	31.425
+C	 1.3881472751	-0.0062299284	-0.056441081	-0.227989
+O	-0.0128899331	-0.026658412	 0.0784192141	-0.23296
+C	-0.4697621046	 0.7031299874	 1.1960636078	-0.069336
+C	-1.99705648	 0.6424786262	 1.21842978	-0.090459
+C	-2.5895780958	 1.3747755085	 2.4090980799	-0.099803
+C	-3.3446814799	 2.4147486486	 2.0441230474	-0.091994
+C	-3.434559708	 2.4875341368	 0.5551473919	-0.000891
+O	-4.0422497954	 1.3114945119	-0.0302271947	-0.26245
+C	-2.6187915923	 1.3765603131	 0.0307808673	 0.045054
+H	 1.8885993555	-0.4535838198	 0.8169952567	 0.104947
+H	 1.6401413853	-0.5901961785	-0.9448681825	 0.129623
+H	 1.77233536	 1.0184434315	-0.1825717987	 0.104906
+H	-0.0589187833	 0.2827321817	 2.1298249187	 0.087886
+H	-0.1332890608	 1.7527949394	 1.1384194284	 0.088968
+H	-2.291919585	-0.4145537884	 1.212551315	 0.10713
+H	-2.4195876984	 1.048194085	 3.42947558	 0.102329
+H	-3.8671744492	 3.0889174793	 2.7113929558	 0.104238
+H	-3.6216436918	 3.4148250075	 0.0226447675	 0.09566
+H	-2.1006626886	 1.3964732804	-0.9230610536	 0.105139
+19
+0 6031	3.9329042	0.8895681	0.791125	2.1555	76.13	-0.24609	-0.00094	0.24515	1444.3747	0.156955	-422.540274	-422.531684	-422.53074	-422.574078	31.919
+O	 1.3414403463	 0.7928322642	-0.0388916013	-0.416638
+C	 0.3941361691	-0.0669514174	 0.5712255898	-0.06195
+C	-0.9241074323	 0.6408115384	 0.8969245877	-0.220898
+C	-1.993376226	-0.2930671208	 1.4926814295	-0.074381
+C	-3.1943766831	 0.4563061997	 2.0444607045	-0.089373
+C	-4.332541107	 0.1438659122	 1.4197493848	-0.095404
+C	-4.0813306527	-0.9192169493	 0.4028528271	-0.000496
+O	-3.5753377895	-2.1485671312	 0.9787234749	-0.262529
+C	-2.6377683359	-1.2133667152	 0.4511052044	 0.039771
+H	 1.5372797506	 1.5027036365	 0.5811650638	 0.280952
+H	 0.2308386763	-0.8764258739	-0.1481755087	 0.116055
+H	 0.8005647801	-0.5309064588	 1.485238528	 0.089065
+H	-0.7214794107	 1.4499410785	 1.6124233832	 0.087263
+H	-1.3093704992	 1.1198177896	-0.0110867088	 0.111506
+H	-1.5332176247	-0.8989104626	 2.2866968402	 0.096997
+H	-3.1006659802	 1.1480417405	 2.8751084025	 0.101011
+H	-5.3122696939	 0.5525343274	 1.6328946522	 0.104285
+H	-4.7012341413	-1.0478055583	-0.4790047509	 0.097452
+H	-2.0721319459	-1.5540976694	-0.4128789828	 0.097312
+19
+0 6032	3.2448153	1.0779698	0.8623389	2.0508	78.65	-0.22576	-0.02624	0.19951999999999998	1375.5685	0.155485	-422.571711	-422.562504	-422.56156	-422.606722	32.96
+C	 2.7316660855	-0.7643704208	 1.0743251746	-0.385338
+C	 1.8519199513	-0.1518707602	-0.0010186758	-0.044193
+O	 2.357893097	 1.1485889836	-0.2930355931	-0.261104
+C	 1.6033320892	 1.8728036858	-1.2391866999	-0.008335
+C	 1.9432294784	 3.3362595729	-1.200282478	-0.092067
+C	 2.2901125184	 3.8191902071	-2.3942581731	-0.074217
+C	 2.27330481	 2.775948664	-3.4794570483	-0.367204
+C	 1.9454658934	 1.4899247361	-2.7075607466	 0.379034
+O	 1.9852829617	 0.3694902902	-3.1431550554	-0.301488
+H	 2.7331842578	-0.1423185888	 1.9741268656	 0.122199
+H	 2.3660672196	-1.7608855971	 1.3398387919	 0.115355
+H	 3.7621576481	-0.8572897101	 0.7199906593	 0.128889
+H	 1.8486988862	-0.7682905487	-0.9073065	 0.124004
+H	 0.8091086085	-0.068086597	 0.3497626837	 0.081945
+H	 0.5238507264	 1.7013621018	-1.0709551809	 0.087255
+H	 1.8961887108	 3.9017992636	-0.2776961559	 0.109512
+H	 2.5583489984	 4.8516582624	-2.5878241776	 0.106881
+H	 1.4996300644	 2.9513650837	-4.2393623805	 0.138797
+H	 3.219611115	 2.6762896815	-4.0246935999	 0.140073
+19
+0 6033	3.1525681	1.0136253	0.8082789	1.9386	78.28	-0.24304	-0.01988	0.22316	1431.4967	0.155736	-422.571156	-422.561921	-422.560977	-422.606196	32.683
+C	 1.4925057335	 0.8145950029	 0.0133850945	-0.229662
+O	 0.0905815448	 0.8984109502	 0.120140253	-0.238759
+C	-0.462370842	-0.1437002981	 0.8936643136	-0.057727
+C	-1.9758793494	 0.0654925963	 0.956122889	-0.17383
+C	-2.4367103011	 1.2792660239	 1.7199953668	-0.067013
+C	-3.3177544597	 0.9833149593	 2.6773217339	-0.081751
+C	-3.6220521027	-0.4891522239	 2.7497789902	-0.369412
+C	-2.6846962484	-1.0895985502	 1.690981958	 0.384604
+O	-2.5065675332	-2.2613772603	 1.4821783885	-0.312736
+H	 1.8097109219	-0.1252775321	-0.4648151775	 0.107867
+H	 1.8242740747	 1.6542130035	-0.6021142164	 0.127791
+H	 1.981662637	 0.8797068599	 0.9981659465	 0.105566
+H	-0.2502860407	-1.1278398309	 0.4477988938	 0.109599
+H	-0.0339790282	-0.1396241827	 1.9105548139	 0.087254
+H	-2.3336661074	 0.0862256883	-0.0840552237	 0.118125
+H	-2.0699170528	 2.2710672778	 1.4862197906	 0.112933
+H	-3.7807461424	 1.7054155886	 3.3399745734	 0.101994
+H	-3.4273167777	-0.94388235	 3.7290323434	 0.13719
+H	-4.6646605162	-0.7339994524	 2.5046730581	 0.13797
+19
+0 6034	3.2456486	0.9933723	0.8071011	1.6606	77.39	-0.23997	-0.02008	0.21988999999999997	1414.108	0.156058	-422.585255	-422.575979	-422.575035	-422.620268	33.265
+O	-0.2666504953	 1.2340249419	 1.1123480666	-0.424444
+C	 0.0942183953	 0.3038788313	 0.1002111348	-0.084843
+C	-0.2209485311	 0.9538723149	-1.2427946974	-0.177778
+C	 0.0359894336	 0.0323546095	-2.4528167787	-0.160754
+C	-0.4674276032	 0.573554007	-3.767398616	-0.076576
+C	 0.4799544083	 0.6523354562	-4.7028325612	-0.082828
+C	 1.8151596421	 0.1668646068	-4.2099088472	-0.362772
+C	 1.535150014	-0.1949771741	-2.7423694345	 0.39117
+O	 2.3559045288	-0.5786387121	-1.9483732011	-0.309426
+H	 0.0553986005	 0.8983022918	 1.9535831082	 0.286097
+H	 1.1576764205	 0.0397356339	 0.1473545755	 0.120489
+H	-0.4825798423	-0.6321175797	 0.197350331	 0.0782
+H	-1.2763427633	 1.2517762133	-1.242068965	 0.10785
+H	 0.3629077088	 1.8760433681	-1.3421243359	 0.109357
+H	-0.4139079415	-0.949161899	-2.233642302	 0.105569
+H	-1.5021090585	 0.8687391828	-3.9038164748	 0.10224
+H	 0.3271129297	 1.0159818842	-5.7123790403	 0.102649
+H	 2.1865532027	-0.7183119188	-4.7435293947	 0.137738
+H	 2.616573771	 0.9140501118	-4.2706983072	 0.138063
+19
+0 6035	3.6792612	0.8891651	0.7669503	4.6436	78.86	-0.26696	-0.04266	0.22429999999999997	1514.9201	0.15689	-422.610646	-422.601759	-422.600815	-422.644967	32.224
+C	 1.3409057482	-0.7866049672	-1.0781655543	-0.385396
+C	 1.1571595741	-0.0122819391	 0.2292084286	-0.16917
+C	 1.6985581769	 1.4192063179	 0.1483393563	-0.181871
+C	 1.5034252236	 2.2120167592	 1.444578687	 0.051852
+O	 0.1072516403	 2.3412445141	 1.7458218632	-0.233168
+C	-0.2386226502	 3.6680610333	 1.8536064796	 0.424524
+O	-1.355808141	 4.0262088057	 2.0954353121	-0.345692
+C	 0.9915099622	 4.4643380227	 1.6197228885	-0.235234
+C	 2.0020883671	 3.6293752682	 1.3898319549	-0.081195
+H	 0.9479590534	-1.8041418212	-0.9931325528	 0.11816
+H	 0.8168636231	-0.2960844716	-1.9057730501	 0.119187
+H	 2.3990382041	-0.8598446945	-1.3537309536	 0.11265
+H	 0.0959715256	 0.0266013815	 0.4962363246	 0.12722
+H	 1.66245361	-0.5429407958	 1.0470637922	 0.095732
+H	 2.7725982013	 1.402684809	-0.0805996694	 0.09898
+H	 1.2085077466	 1.9652303169	-0.6671661502	 0.110444
+H	 1.9707547749	 1.6666134963	 2.2780800836	 0.108394
+H	 0.9892686554	 5.5438364626	 1.6470901876	 0.135279
+H	 3.0354516945	 3.8758531521	 1.1813682122	 0.129305
+19
+0 6036	4.4466629	0.824374	0.7342499	3.2876	79.8	-0.23904	-0.04884	0.1902	1554.1602	0.155987	-422.581177	-422.572073	-422.571129	-422.616006	32.681
+C	 0.6007570675	-1.002746404	 0.5642615663	-0.385844
+C	 0.3889030927	 0.0544882093	-0.505387511	-0.036298
+O	 1.478418083	 0.960895986	-0.4595689592	-0.260041
+C	 1.3725487959	 2.0361782309	-1.3694290847	 0.08589
+C	 1.6811704093	 1.6898201457	-2.8434404973	-0.357018
+C	 2.7095703843	 2.7408002061	-3.292969161	 0.377111
+O	 3.0912065299	 2.926304265	-4.4235358975	-0.323172
+C	 3.1300547674	 3.4754460547	-2.0730954251	-0.183599
+C	 2.4151696306	 3.0731565613	-1.018983622	-0.06977
+H	 0.6567460528	-0.5415766688	 1.5542704557	 0.127407
+H	-0.2259061699	-1.7193104096	 0.5594696221	 0.117613
+H	 1.5326331743	-1.5468294215	 0.3866473166	 0.129624
+H	 0.3181954694	-0.4137299976	-1.4999468488	 0.09343
+H	-0.5563002998	 0.5972857252	-0.3356985645	 0.088419
+H	 0.3672931948	 2.4854218489	-1.2824073542	 0.082374
+H	 2.1499700739	 0.7013009121	-2.8927114125	 0.142909
+H	 0.8166666747	 1.6870614815	-3.5107440606	 0.125937
+H	 3.9076215444	 4.2285013735	-2.0895317387	 0.120966
+H	 2.5171781248	 3.4236807213	 0.0018625066	 0.124062
+19
+0 6037	3.9251449	0.8521206	0.7464941	4.0484	79.61	-0.23623	-0.04493	0.1913	1526.2279	0.15634	-422.577126	-422.568003	-422.567059	-422.612125	32.398
+C	 1.4204079816	-0.0552727767	-0.0271132764	-0.230334
+O	 0.016067696	-0.0450483899	 0.0809052717	-0.230748
+C	-0.4480204103	 0.7173284428	 1.1706759043	-0.06424
+C	-1.9774573319	 0.6868464564	 1.1561326687	-0.060564
+C	-2.6021537052	 1.3909802535	-0.065906245	-0.338194
+C	-3.4997940442	 2.4999109433	 0.5051792981	 0.377032
+O	-4.1654093376	 3.2800334702	-0.1343161402	-0.328644
+C	-3.3923730992	 2.4188711365	 1.9836853742	-0.186497
+C	-2.5674674866	 1.4274711172	 2.3359169925	-0.064732
+H	 1.8953057454	-0.49083094	 0.8661524539	 0.105445
+H	 1.6763259824	-0.6656765321	-0.8962464742	 0.131358
+H	 1.8263443712	 0.9582904087	-0.1713545383	 0.107467
+H	-0.0653859312	 0.3077054777	 2.121933819	 0.085682
+H	-0.0916417083	 1.7599137791	 1.0980539742	 0.090972
+H	-2.2701372113	-0.3704513996	 1.1968570617	 0.101061
+H	-1.8464853601	 1.8250650721	-0.7268446314	 0.137732
+H	-3.2044616952	 0.7191875534	-0.6835455523	 0.135314
+H	-3.9313272998	 3.0872844076	 2.6429453071	 0.117143
+H	-2.3158884556	 1.1555459097	 3.3566558225	 0.114749
+19
+0 6038	4.0537239	0.7788502	0.6914259	4.1918	79.09	-0.23878	-0.04595	0.19283	1594.8497	0.156828	-422.590359	-422.581279	-422.580335	-422.625129	32.856
+O	-0.2502007373	 0.9831508174	-2.2551031799	-0.414995
+C	-0.2569640006	 2.0195209399	-1.2894659216	-0.059013
+C	-0.1530131547	 1.4943655017	 0.1448381601	-0.21974
+C	-0.094070778	 2.6155232596	 1.1985951548	-0.044393
+C	 1.2142677893	 3.4385613069	 1.2020671009	-0.347718
+C	 1.753377589	 3.3665191015	 2.6420275805	 0.379463
+O	 2.737720215	 3.9287335552	 3.0601460371	-0.327379
+C	 0.8345041367	 2.4820773841	 3.3972529014	-0.192175
+C	-0.1700298307	 2.0801690086	 2.6119750105	-0.052948
+H	-1.0300248187	 0.4377166266	-2.1104609958	 0.281646
+H	 0.6078370758	 2.6477222246	-1.5278000758	 0.119664
+H	-1.152122644	 2.6563956843	-1.3867814629	 0.086801
+H	-1.022769978	 0.8532795728	 0.3495245696	 0.085626
+H	 0.7343934178	 0.8555504758	 0.228834519	 0.114572
+H	-0.958586395	 3.2748268735	 1.0300593143	 0.091598
+H	 1.9680390358	 3.0191972922	 0.5271578573	 0.135527
+H	 1.0782006608	 4.483945533	 0.9125715629	 0.132448
+H	 0.991257749	 2.2345300422	 4.4392440198	 0.117387
+H	-0.9826147523	 1.4282487501	 2.9187959978	 0.113629
+19
+0 6039	3.4840773	0.8120608	0.7507238	1.3771	78.5	-0.2551	0.02	0.2751	1573.339	0.154415	-422.484158	-422.474327	-422.473383	-422.520372	34.425
+C	 1.4998128859	 0.6720392532	 0.0447660242	-0.224282
+O	 0.1163357938	 0.8648415895	 0.2209486444	-0.237276
+C	-0.5271045429	-0.2503162667	 0.7933856916	-0.069943
+C	-1.999478681	 0.0902160407	 0.9332503953	 0.125685
+C	-2.398710052	 1.0493292055	 2.0704339948	-0.306022
+C	-3.200027085	-0.1616847098	 2.6224953903	-0.038286
+O	-2.7301048662	-1.0043608338	 1.5353219717	-0.30082
+C	-2.8417805592	-0.6609818497	 3.9392549993	 0.338162
+C	-2.5442728224	-1.058550405	 5.0340833446	-0.456621
+H	 1.7110732592	-0.1745712976	-0.6272699138	 0.106697
+H	 1.9039023995	 1.5851120901	-0.3990782687	 0.1277
+H	 2.0109527896	 0.4847000765	 1.0022149059	 0.106151
+H	-0.4166897183	-1.1471941214	 0.1605426434	 0.096103
+H	-0.1057923536	-0.4920680338	 1.7835481275	 0.09388
+H	-2.4095370235	 0.354031408	-0.0493242795	 0.086155
+H	-1.5727413144	 1.3731217629	 2.7037187525	 0.125845
+H	-3.0031224076	 1.9097700265	 1.7844757208	 0.117862
+H	-4.2883098424	-0.0337953874	 2.5602455502	 0.106271
+H	-2.2849680495	-1.4158275377	 6.0000930653	 0.20274
+19
+0 6040	3.2144556	0.8014882	0.7233847	2.1087	77.97	-0.25366	0.01896	0.27262	1592.6301	0.154897	-422.499777	-422.489995	-422.489051	-422.535766	34.911
+O	 1.5413337554	 0.5278089622	-0.0693873652	-0.419564
+C	 0.162567602	 0.2865873071	 0.1654932748	-0.06464
+C	-0.7445847936	 1.0874864159	-0.7729981552	-0.216518
+C	-2.2180226314	 0.8203098323	-0.5280250504	 0.152414
+C	-3.2475213328	 1.7412455848	-1.2155130347	-0.327373
+C	-3.7057020247	 2.0811394855	 0.2287715926	-0.026259
+O	-2.6470244311	 1.2640061511	 0.789010271	-0.302573
+C	-3.6480405342	 3.4726180325	 0.6437531116	 0.330523
+C	-3.6050713626	 4.6279164217	 0.9732250968	-0.454123
+H	 1.7257819213	 1.4375856932	 0.1844144843	 0.281638
+H	 0.0173378003	-0.7867709433	-0.0017425949	 0.108672
+H	-0.1143766151	 0.4948831778	 1.2086464246	 0.112386
+H	-0.5562295894	 2.1611993969	-0.6385340129	 0.094609
+H	-0.4988943153	 0.8391476144	-1.813401448	 0.105865
+H	-2.4371404183	-0.2499127713	-0.6522440738	 0.077148
+H	-2.8109861191	 2.5851162946	-1.7511273558	 0.122623
+H	-3.9964248808	 1.2547684343	-1.8407577244	 0.11653
+H	-4.688059515	 1.6613418331	 0.4826968332	 0.105409
+H	-3.5685657258	 5.6466887071	 1.2714830265	 0.203233
+19
+0 6041	2.8969536	0.8896853	0.7414925	1.7666	78.64	-0.25806	0.02307	0.28113	1549.851	0.153142	-422.504914	-422.494527	-422.493582	-422.54069	37.062
+C	-4.312849425	-0.4667114611	 2.5078729263	-0.472607
+C	-2.9139314888	 0.1162529215	 2.4956375374	 0.193052
+O	-1.8502419839	-0.8497593132	 2.6245272697	-0.285373
+C	-1.9931357874	-0.1755284784	 1.3699067875	 0.014791
+C	-0.86282017	 0.7247929919	 0.9425149399	-0.259103
+C	 0.3774856038	-0.0745580057	 0.5236922509	-0.055746
+O	 1.4294140964	 0.757975968	 0.0649893888	-0.417932
+C	-2.7499854476	 1.3298811968	 3.2638293725	 0.303313
+C	-2.6705501634	 2.3394818421	 3.9118532355	-0.435835
+H	-4.6100633229	-0.7154415254	 3.5307384797	 0.139385
+H	-5.0333883543	 0.2537893892	 2.1095941143	 0.133471
+H	-4.3450859905	-1.3766119364	 1.9038305804	 0.130057
+H	-2.4034497621	-0.8115149068	 0.5811719292	 0.091198
+H	-1.1896745387	 1.3439630407	 0.0983668963	 0.112102
+H	-0.6074007405	 1.4001600045	 1.7662429509	 0.107869
+H	 0.6991351189	-0.7149885049	 1.3580499236	 0.108674
+H	 0.1343695442	-0.734038349	-0.3170048924	 0.109847
+H	 1.7298820709	 1.2878108712	 0.8103054216	 0.282734
+H	-2.587838259	 3.2297845751	 4.4852608577	 0.200103
+19
+0 6042	2.7237138	0.9960937	0.8155867	1.7299	79.7	-0.23947	0.03513	0.2746	1464.9703	0.152612	-422.490981	-422.480644	-422.4797	-422.5266	37.26
+C	 0.3474466882	-0.8126406678	 0.0893218571	-0.385685
+C	 0.8150352776	 0.5952010293	 0.4124302275	-0.035566
+O	 1.6259529011	 1.0517056176	-0.6628760101	-0.246952
+C	 2.1111632809	 2.3327384115	-0.4784657087	 0.103962
+C	 3.3481033689	 2.5619982154	 0.3595136323	-0.383187
+C	 3.394643019	 2.6999524998	-1.165549992	 0.16731
+O	 3.3926363276	 3.9995520772	-1.6949541169	-0.450963
+C	 4.1191891978	 1.7169745639	-1.9268068558	 0.334172
+C	 4.7707937365	 0.9457428893	-2.5797322228	-0.500618
+H	-0.2840290257	-1.1972460405	 0.8957363182	 0.115025
+H	-0.2294186023	-0.8217124652	-0.8395946667	 0.130144
+H	 1.2034472805	-1.4821208292	-0.032872215	 0.129614
+H	-0.0450415143	 1.2712921001	 0.5449227739	 0.090524
+H	 1.3904316302	 0.6135598582	 1.3508156586	 0.092817
+H	 1.3609025746	 3.1248684831	-0.4720774246	 0.103225
+H	 3.4199876855	 3.4820202396	 0.9286415056	 0.120993
+H	 3.8321380774	 1.6908911749	 0.7855941492	 0.130572
+H	 4.3083428017	 4.2994933359	-1.7289903763	 0.287213
+H	 5.3238011946	 0.2515096069	-3.1625041237	 0.197398
+19
+0 6043	3.0093478	0.9795182	0.8995828	2.414	79.86	-0.23899	0.04053	0.27952	1391.9349	0.153836	-422.490929	-422.480932	-422.479988	-422.525884	36.432
+C	 1.2370959845	-0.3576592921	 0.0822112221	-0.230485
+O	-0.1392143979	-0.2578067689	 0.3765465287	-0.245029
+C	-0.4527047977	 0.8867444368	 1.1630790862	-0.091051
+C	-1.9484992977	 0.9390569178	 1.3387356255	-0.101018
+C	-2.5529019464	 1.1503464129	 2.7058284814	-0.337532
+C	-2.5899533555	-0.2258868233	 2.0826758031	 0.221738
+O	-1.7166355764	-1.1676070536	 2.6419392637	-0.458801
+C	-3.843421699	-0.7468060075	 1.5973055894	 0.30229
+C	-4.8836579921	-1.1897652426	 1.1870438734	-0.459941
+H	 1.8467181271	-0.4299813071	 0.9962318553	 0.110001
+H	 1.3795116118	-1.2627506884	-0.5126359964	 0.131808
+H	 1.588775308	 0.509101902	-0.4978181691	 0.11042
+H	 0.0530866919	 0.8169948482	 2.1369012723	 0.102147
+H	-0.0885912332	 1.7988263887	 0.6640985209	 0.0966
+H	-2.5048047801	 1.3155112047	 0.4872549952	 0.10838
+H	-1.8753686573	 1.2604212756	 3.5454231066	 0.128216
+H	-3.4821573257	 1.7016220898	 2.7801917964	 0.127872
+H	-1.1840798216	-1.5058183954	 1.9086399618	 0.291935
+H	-5.8016210127	-1.5865291675	 0.8303491534	 0.19245
+19
+0 6044	2.9404011	0.9234099	0.7675359	2.3127	79.41	-0.25513	0.02384	0.27897000000000005	1533.2498	0.152425	-422.488085	-422.477632	-422.476688	-422.524034	36.665
+C	 1.664187191	-0.4540043176	 0.6685590786	-0.223843
+O	 0.2649281539	-0.4553766761	 0.8229288855	-0.234878
+C	-0.3400221602	 0.7141863576	 0.3180768308	-0.098477
+C	-1.8238499088	 0.6012366198	 0.5411068143	 0.00342
+O	-2.3525763536	 1.1071517086	 1.7657622533	-0.277556
+C	-2.7282227032	 1.7728077171	 0.5434663461	 0.193573
+C	-4.1813556977	 1.6142649494	 0.1422858634	-0.473064
+C	-2.1845094105	 3.1013296477	 0.3618537367	 0.300164
+C	-1.7818571029	 4.2198930189	 0.1828931664	-0.434312
+H	 2.1338765014	 0.3838257738	 1.2072575266	 0.108047
+H	 2.0386708846	-1.3938346405	 1.0808858146	 0.129556
+H	 1.9583473562	-0.3872486787	-0.3913900132	 0.102686
+H	 0.0426765213	 1.6146172997	 0.8196848364	 0.109532
+H	-0.1376003509	 0.8206528931	-0.7629107063	 0.091616
+H	-2.2493342689	-0.3535313464	 0.2276598411	 0.099076
+H	-4.5084924099	 0.5872743095	 0.3202401329	 0.132519
+H	-4.810230129	 2.2895193686	 0.7296092093	 0.139566
+H	-4.3176725045	 1.8565675012	-0.9158680302	 0.132599
+H	-1.4147175683	 5.2057930842	 0.0363912039	 0.199774
+19
+0 6045	2.4385537	1.1992451	1.0340116	3.5134	78.74	-0.23232	0.04835	0.28067	1251.3179	0.15449	-422.509802	-422.499974	-422.499029	-422.544264	36.594
+O	 0.2392061747	 1.0659040153	 1.0587343966	-0.410578
+C	 0.2079263543	 0.3135192046	-0.1574953182	-0.078493
+C	-0.8111347316	 0.9492391401	-1.100154216	-0.229668
+C	-2.241050913	 0.7967993444	-0.6232962669	-0.057487
+C	-3.299037356	 1.8183420732	-0.9583168823	-0.346321
+C	-2.7784616175	 1.7296626304	 0.4597373086	 0.216118
+O	-1.962144293	 2.7883017443	 0.8632183932	-0.46152
+C	-3.6212131915	 1.1645326722	 1.485746161	 0.307246
+C	-4.3085459845	 0.6886098203	 2.3511483451	-0.479191
+H	 0.6552795633	 0.539687487	 1.7465097957	 0.297106
+H	 1.2031265847	 0.3144554322	-0.6251626646	 0.096513
+H	-0.0674341814	-0.7316226052	 0.0447724149	 0.097763
+H	-0.5641571415	 2.0091150196	-1.215731964	 0.124301
+H	-0.7009064019	 0.4852829606	-2.0881905771	 0.102378
+H	-2.5858847504	-0.2313607869	-0.5488558597	 0.093302
+H	-2.9881669394	 2.7058459907	-1.4987141561	 0.12488
+H	-4.3080196383	 1.4788092793	-1.159432049	 0.12159
+H	-1.1586505639	 2.3839188298	 1.2295425853	 0.293275
+H	-4.922026763	 0.2820169581	 3.1161946633	 0.188785
+19
+0 6046	7.6459222	0.5020131	0.4946381	2.0028	83.78	-0.24392	0.02771	0.27163	2225.6968	0.153918	-422.503816	-422.493053	-422.492109	-422.541658	36.145
+C	 1.5445602868	 0.0208046736	-0.0247508222	-0.501505
+C	 0.0900452645	 0.0309262599	-0.0066058535	 0.136526
+C	-1.1144126936	 0.0341029923	 0.0018836338	 0.054537
+C	-2.5509617384	 0.0452202647	 0.0396110256	-0.176592
+O	-3.2479280347	-1.0118684201	-0.6503397543	-0.245935
+C	-3.3705522711	 0.3170239073	-1.1602964839	 0.070118
+C	-4.7367914871	 0.9507337581	-1.0817602258	-0.24411
+C	-5.6920893654	 0.3898658888	-2.1427862054	-0.056844
+O	-6.9618532335	 1.0201084536	-2.1211176748	-0.417568
+H	 1.9547317747	 0.1407498831	 0.9838374918	 0.152315
+H	 1.9244149454	-0.9245850936	-0.4273339628	 0.155916
+H	 1.9425357825	 0.830621073	-0.6460790868	 0.151155
+H	-2.9910297351	 0.2942889652	 1.0054811093	 0.109103
+H	-2.8260457257	 0.4771187168	-2.0926771613	 0.100434
+H	-5.1566370379	 0.7770452264	-0.0829580006	 0.094344
+H	-4.6501792559	 2.0352866968	-1.2193126892	 0.114276
+H	-5.2863976258	 0.5751061202	-3.1436287331	 0.112748
+H	-5.7760727428	-0.700153344	-2.0220508478	 0.108562
+H	-7.3946705468	 0.7822577478	-1.2950431089	 0.282522
+19
+0 6047	7.1675515	0.5263066	0.5151804	2.4922	84.66	-0.24653	0.02797	0.2745	2184.3486	0.153256	-422.487028	-422.476232	-422.475288	-422.525279	35.676
+C	-6.4305397678	 0.4275173058	-2.8304392	-0.224539
+O	-5.1255511024	-0.0648223231	-2.6395183709	-0.231965
+C	-4.5280154933	 0.4126747188	-1.456549195	-0.081573
+C	-3.1437987239	-0.1678916688	-1.3556942361	 0.055991
+O	-3.0087700496	-1.4388921129	-0.7283623189	-0.236173
+C	-2.4632855019	-0.2908353297	-0.0507114711	-0.176438
+C	-1.0348330977	-0.1962167465	 0.0776515796	 0.054495
+C	 0.1591134001	-0.1113913396	 0.2109730524	 0.136959
+C	 1.6025786644	-0.0153033822	 0.3631233087	-0.501568
+H	-6.446704236	 1.527305706	-2.8982212692	 0.103022
+H	-6.8023567711	 0.0099920335	-3.7689350263	 0.131044
+H	-7.1050798146	 0.1248007817	-2.014077025	 0.107034
+H	-4.4652345914	 1.5158112071	-1.471565035	 0.090928
+H	-5.1137237498	 0.121945573	-0.5689700991	 0.095392
+H	-2.5234963649	-0.0355375683	-2.2417597951	 0.108916
+H	-3.029457765	-0.0054012068	 0.8366513311	 0.108953
+H	 1.8869395766	 0.0627492258	 1.418075388	 0.151997
+H	 2.0990341448	-0.8999352479	-0.0503970465	 0.156457
+H	 2.0012734636	 0.8627904341	-0.1567502916	 0.151069
+19
+0 6048	3.946145	0.6680198	0.5956699	2.0372	78.73	-0.25888	0.0452	0.30408	1859.6535	0.153417	-422.484141	-422.473923	-422.472979	-422.520524	35.467
+C	 1.5696440365	 0.0565743184	 0.1266396512	-0.22468
+O	 0.1849651843	 0.2087687771	-0.0754910338	-0.232434
+C	-0.5687786044	-0.0478842806	 1.0868970796	-0.080901
+C	-2.0251584738	 0.1325430468	 0.7613824336	 0.053019
+O	-2.5633790159	 1.4580772107	 0.8800296104	-0.252818
+C	-3.0118171748	 0.4614994829	 1.7937158481	 0.058869
+C	-4.4707116655	 0.0493934856	 1.6705815975	-0.38138
+C	-4.7531976417	-1.1894478615	 2.3859265834	 0.298158
+C	-4.9546473485	-2.2094333005	 2.9883231932	-0.453209
+H	 1.8266926658	-0.9672230624	 0.4431906904	 0.103208
+H	 2.0632953658	 0.2667234165	-0.8249722659	 0.13059
+H	 1.951028313	 0.7558569379	 0.88740488	 0.106792
+H	-0.3969811611	-1.0805030908	 1.4404312426	 0.092914
+H	-0.2873097283	 0.6366348836	 1.9036900486	 0.095644
+H	-2.3620007451	-0.4070953357	-0.1243599214	 0.101688
+H	-2.6631368497	 0.59525702	 2.8188660672	 0.101247
+H	-5.1004051473	 0.8584914433	 2.0629141762	 0.142414
+H	-4.7217838771	-0.0521225942	 0.6084826779	 0.141158
+H	-5.1464802122	-3.1113804572	 3.5147272713	 0.19972
+19
+0 6049	4.1515741	0.6319592	0.5695831	0.9686	77.98	-0.26236	0.04662	0.30898	1901.1202	0.153853	-422.501153	-422.490871	-422.489927	-422.537575	35.997
+O	 3.8282071908	 5.7307906696	 2.4904924429	-0.42072
+C	 4.0972380792	 4.3397559736	 2.4187184533	-0.066663
+C	 3.0228397238	 3.7070474611	 1.5391784138	-0.215088
+C	 3.1859361276	 2.2132102254	 1.4287949456	 0.063044
+O	 4.2717305921	 1.7422707085	 0.6069624292	-0.26283
+C	 2.9353615042	 1.4739579416	 0.1877084424	 0.06017
+C	 2.5261624046	 0.009287456	 0.1874217872	-0.381272
+C	 1.0816362657	-0.1588173319	 0.0813043577	 0.298565
+C	-0.111671668	-0.26546213	-0.0104890774	-0.452692
+H	 4.5337296636	 6.1481354874	 2.9929790809	 0.287007
+H	 5.0868218394	 4.1395030466	 1.9816756286	 0.105642
+H	 4.0789887088	 3.876623944	 3.4195130545	 0.083313
+H	 2.0373518085	 3.93526668	 1.963174668	 0.115281
+H	 3.0647911315	 4.1615407939	 0.5441326743	 0.113964
+H	 3.0839329616	 1.6582638841	 2.364249368	 0.090124
+H	 2.6116037355	 2.0386098515	-0.6873652533	 0.103368
+H	 3.023096814	-0.496655448	-0.6506564717	 0.141409
+H	 2.9029503733	-0.4639916568	 1.1016921314	 0.137936
+H	-1.1651083763	-0.3723166468	-0.0893863753	 0.199443
+19
+0 6050	3.241422	1.0873496	0.8640758	2.8242	79.19	-0.22173	-0.05036	0.17137000000000002	1365.6405	0.156188	-422.577799	-422.568673	-422.567729	-422.612682	32.621
+C	 1.9355710765	-1.09461797	-1.1192225448	-0.385589
+C	 1.4043161222	-0.263246303	 0.0350433722	-0.047962
+O	 2.2185640422	 0.9024597804	 0.1447981527	-0.257702
+C	 1.821653374	 1.8057734068	 1.1470547963	 0.023665
+C	 2.4959187514	 3.1730427176	 0.9351721456	-0.303228
+C	 3.0542507629	 3.5269290891	 2.289398126	-0.053248
+C	 2.9310030044	 2.5421965159	 3.1886479596	-0.164442
+C	 2.2568616446	 1.3781187846	 2.577043375	 0.363307
+O	 2.0736930003	 0.2876320359	 3.0696727958	-0.333777
+H	 1.3241515632	-1.9922907843	-1.2512653195	 0.115532
+H	 1.9183694694	-0.5211512318	-2.0507009424	 0.120543
+H	 2.966589357	-1.4044493217	-0.9261498045	 0.127956
+H	 0.3598238298	 0.0399024867	-0.1517704908	 0.080883
+H	 1.4231235731	-0.8281409784	 0.9730265333	 0.129128
+H	 0.7236120397	 1.9141665405	 1.1559973532	 0.087039
+H	 3.2956996413	 3.0704642876	 0.1925216236	 0.142255
+H	 1.8110189029	 3.9402479928	 0.5587552346	 0.118868
+H	 3.5162736201	 4.4899560198	 2.4811221917	 0.118514
+H	 3.2808454451	 2.5443667016	 4.2130676822	 0.11826
+19
+0 6051	3.1170976	1.0263468	0.8154345	2.8763	78.9	-0.23881	-0.04521	0.1936	1414.6879	0.156484	-422.577702	-422.568565	-422.567621	-422.61265	32.286
+C	 1.4475617397	 0.0240835299	-0.1063725285	-0.229963
+O	 0.042752125	 0.0296797235	-0.0087619749	-0.238143
+C	-0.4211079891	 0.6487438889	 1.1719489441	-0.063656
+C	-1.9428307483	 0.5918620207	 1.1798088378	-0.127292
+C	-2.5438084089	-0.8253095744	 1.2733515995	-0.277661
+C	-3.4712236824	-0.7584434455	 2.4600561023	-0.049598
+C	-3.4606349045	 0.4308431026	 3.074246508	-0.177432
+C	-2.5181210223	 1.3474786571	 2.396173194	 0.372978
+O	-2.2248922441	 2.4760408035	 2.7207529566	-0.344713
+H	 1.9130476691	-0.5275450472	 0.7259968072	 0.103628
+H	 1.7085591576	-0.468725061	-1.0460733693	 0.126967
+H	 1.8606423668	 1.0448353022	-0.1126702514	 0.108317
+H	-0.0151185876	 0.1330999276	 2.0607465578	 0.084821
+H	-0.0963230508	 1.6988993442	 1.2263111283	 0.112256
+H	-2.2959709676	 1.1019545029	 0.2762837232	 0.114396
+H	-3.080473328	-1.1195237641	 0.3643701568	 0.12452
+H	-1.7699685451	-1.5890198682	 1.4205002815	 0.127584
+H	-4.070016519	-1.6107110019	 2.7651018482	 0.115865
+H	-4.0268509307	 0.7228405793	 3.9492016088	 0.117126
+19
+0 6052	3.3102624	0.983868	0.7987869	3.6554	77.91	-0.23806	-0.04805	0.19000999999999998	1416.3579	0.157035	-422.590216	-422.581108	-422.580164	-422.624909	32.823
+O	-0.9602501463	 0.5440202282	 1.1341054832	-0.420428
+C	-0.2563005892	-0.0687951794	 0.0624238697	-0.079932
+C	-0.5536831576	 0.6088277432	-1.2798038561	-0.209052
+C	 0.1245494872	-0.0713071913	-2.4803668592	-0.109063
+C	-0.3958281412	 0.3751026571	-3.8661266037	-0.297148
+C	 0.8487252538	 0.6703478546	-4.6626749535	-0.049867
+C	 1.9700178492	 0.5622266447	-3.941018776	-0.163124
+C	 1.646917598	 0.176153755	-2.5494815181	 0.376003
+O	 2.4247907473	 0.0792509875	-1.6253740876	-0.339461
+H	-0.5367214892	 1.3886584512	 1.3151234939	 0.281417
+H	 0.8245947806	-0.0944709061	 0.2409049952	 0.127088
+H	-0.6085580582	-1.1069560462	 0.031196003	 0.103405
+H	-1.6401007496	 0.6114532423	-1.4275850891	 0.104997
+H	-0.2416578765	 1.6618340502	-1.2336601483	 0.090427
+H	-0.0029529684	-1.1582443928	-2.3825098298	 0.1061
+H	-1.0168481039	-0.3847759985	-4.3545362173	 0.120818
+H	-1.0219166571	 1.2745270259	-3.7933458896	 0.124258
+H	 0.80362452	 0.9557143681	-5.7087868983	 0.117041
+H	 2.9841675209	 0.7464649364	-4.2713145384	 0.116522
+19
+0 6053	2.4809668	1.0340024	0.7796921	2.3426	79.13	-0.24705	0.01732	0.26437	1486.1253	0.15398	-422.487361	-422.477459	-422.476514	-422.523423	34.7
+C	 0.0371426769	-0.3490918455	-0.670970926	-0.386147
+C	 0.9954257026	 0.1263948436	 0.4063719853	-0.047419
+O	 1.4364558467	 1.435429047	 0.0687716329	-0.245085
+C	 2.3023231478	 1.9958648786	 1.0018696711	 0.066683
+C	 2.7847442021	 3.4052878925	 0.6386582619	-0.106775
+O	 4.1692500212	 3.0187687844	 0.7796265249	-0.285545
+C	 3.8210319539	 1.6167542077	 0.9115644252	-0.061608
+C	 4.4429866058	 0.9610010121	 2.0442473157	 0.313652
+C	 4.9294025978	 0.4041518688	 2.9924360424	-0.442603
+H	-0.3258183998	-1.3545021401	-0.4385561184	 0.11904
+H	-0.8221465263	 0.3234038531	-0.7439726916	 0.129326
+H	 0.5353814743	-0.3759788886	-1.6440526071	 0.12975
+H	 0.5015543148	 0.144126195	 1.3912744209	 0.09515
+H	 1.8570228098	-0.5542962809	 0.4885938844	 0.100958
+H	 1.9152707578	 1.8999800081	 2.0250491125	 0.088191
+H	 2.5307575146	 3.6791391663	-0.3926201176	 0.112053
+H	 2.5144639726	 4.2191658258	 1.3185188326	 0.113161
+H	 4.0328058445	 1.0716267528	-0.0191758377	 0.104875
+H	 5.3699954728	-0.0845790707	 3.8261701788	 0.202342
+19
+0 6054	2.5092686	1.0210025	0.7900273	2.3906	78.86	-0.25302	0.0253	0.27832	1477.2263	0.154495	-422.480718	-422.470864	-422.46992	-422.516699	34.305
+C	 1.416517999	-0.1055267692	-0.1077998565	-0.227523
+O	 0.0157769276	-0.0379619594	 0.0218485133	-0.232558
+C	-0.4016126783	 0.7003267824	 1.1464847773	-0.073252
+C	-1.9157263322	 0.6811290644	 1.1919559011	-0.071245
+C	-2.550591679	 1.1769961772	 2.5061062124	-0.096084
+O	-3.0167311084	-0.1466562512	 2.8407046443	-0.277179
+C	-2.5446654423	-0.6899289031	 1.5776937793	-0.06221
+C	-3.6163345041	-1.1863556444	 0.7308651296	 0.344397
+C	-4.5016831114	-1.5893194154	 0.0247399945	-0.450558
+H	 1.8845509853	-0.5934798271	 0.7617027736	 0.106319
+H	 1.6334150677	-0.6938579228	-1.0023333368	 0.131554
+H	 1.8643396007	 0.8942707545	-0.2217503146	 0.105611
+H	 0.0108151714	 0.2640738711	 2.0739504708	 0.091495
+H	-0.037424103	 1.7414370989	 1.0904135362	 0.088979
+H	-2.3267527495	 1.1137761073	 0.2793060422	 0.102033
+H	-1.8525109314	 1.5667265876	 3.2579728224	 0.10078
+H	-3.379071805	 1.8853095616	 2.3881241885	 0.109749
+H	-1.8039581552	-1.4817008003	 1.745504685	 0.10938
+H	-5.2829018619	-1.9524939221	-0.5963302825	 0.200313
+19
+0 6055	2.3394517	1.0663266	0.784195	1.2934	78.66	-0.25455	0.04265	0.2972	1477.8655	0.154405	-422.484088	-422.474175	-422.473231	-422.520146	34.457
+C	 1.2606558789	-0.4009172667	 0.6914681884	-0.223661
+O	-0.0982905074	-0.1437917507	 0.9564925395	-0.232482
+C	-0.560868004	 1.0466204159	 0.3664018277	-0.080228
+C	-2.0258148418	 1.20382145	 0.7256873811	 0.120373
+O	-2.5630957909	 2.4348868136	 0.2032574279	-0.29451
+C	-3.0391227399	 2.843045579	 1.5002663391	-0.077715
+C	-2.3604249099	 1.6245284315	 2.1878849988	-0.24197
+C	-3.190592255	 0.750259651	 2.9860181839	 0.331087
+C	-3.9000433617	 0.0298800312	 3.6365489803	-0.459527
+H	 1.9104508967	 0.3993724313	 1.0794088064	 0.105387
+H	 1.5185712482	-1.3385812544	 1.1892199467	 0.130603
+H	 1.4524151536	-0.5050318422	-0.38794486	 0.107297
+H	 0.0056014976	 1.921840247	 0.7283858261	 0.086972
+H	-0.4562552328	 1.0213157217	-0.7317494753	 0.097884
+H	-2.5949620266	 0.3294077326	 0.3881972654	 0.095661
+H	-2.661932336	 3.8306540503	 1.7867865272	 0.109787
+H	-4.1331510608	 2.8355533692	 1.5600148091	 0.113852
+H	-1.4575066842	 1.9039868658	 2.7383267281	 0.112606
+H	-4.5181951141	-0.6116048061	 4.2142634695	 0.198582
+19
+0 6056	2.3371589	0.9929134	0.7427582	2.3097	77.95	-0.25259	0.01847	0.27105999999999997	1510.7612	0.154705	-422.49589	-422.485964	-422.48502	-422.531903	34.914
+O	 1.5211281638	 0.816547061	-0.1180780735	-0.418958
+C	 0.1968142922	 0.4378977299	 0.2200095939	-0.072906
+C	-0.7502047232	 1.1656525123	-0.7278079187	-0.205294
+C	-2.2132188266	 0.8561005355	-0.4553960303	-0.054565
+C	-3.2922121106	 1.6460257301	-1.224844574	-0.096738
+O	-3.9421922083	 2.0506140588	-0.0004874092	-0.285019
+C	-2.8754535458	 1.4926660791	 0.8056747083	-0.035833
+C	-3.3356225973	 0.6069754666	 1.8600498581	 0.312011
+C	-3.6981884415	-0.1391530982	 2.7303129419	-0.440006
+H	 2.1247484086	 0.3743921648	 0.4858053289	 0.287542
+H	 0.0526982478	-0.6507786004	 0.122788755	 0.089024
+H	-0.0414147539	 0.7019244952	 1.2633133374	 0.094115
+H	-0.5711994848	 2.2448331266	-0.6446553735	 0.109899
+H	-0.4965253259	 0.8845909354	-1.7572887987	 0.111272
+H	-2.3966601159	-0.2210237227	-0.4879077001	 0.093253
+H	-2.9078242195	 2.5087869665	-1.7856559631	 0.100627
+H	-3.9619266492	 1.0680504425	-1.8705823926	 0.11041
+H	-2.2616639973	 2.2964725402	 1.2393950343	 0.09962
+H	-4.0261598026	-0.7919254433	 3.501309316	 0.201547
+19
+0 6057	3.3091751	0.8008556	0.6854634	0.559	78.71	-0.25313	0.03705	0.29018	1627.0366	0.154803	-422.5011	-422.49118	-422.490236	-422.536822	34.986
+O	 1.4988434629	 1.0531452773	 0.0066259812	-0.421817
+C	 0.2228863432	 0.4417591579	 0.1243325057	-0.077777
+C	-0.7685840404	 1.289039066	-0.6653174143	-0.201865
+C	-2.1760592288	 0.7345028729	-0.6084903097	 0.14632
+O	-2.301720989	-0.5632088541	-1.239179146	-0.295538
+C	-3.4672706534	-0.1493818612	-1.972872064	-0.07832
+C	-3.2476207042	 1.3343898181	-1.5684919995	-0.253582
+C	-4.3521605568	 2.0786876778	-1.0061046133	 0.320676
+C	-5.2715490329	 2.6839739983	-0.5219678766	-0.454992
+H	 2.1430323902	 0.4875571274	 0.4420601714	 0.286438
+H	 0.225540525	-0.5817693252	-0.2775316425	 0.109414
+H	-0.0961694644	 0.3826603565	 1.178244084	 0.08457
+H	-0.7702654667	 2.3102618249	-0.2639925395	 0.113682
+H	-0.4357731176	 1.3444783249	-1.7079896489	 0.108151
+H	-2.5403979905	 0.6926713542	 0.4281472012	 0.081352
+H	-3.3916667335	-0.3825959913	-3.0397809837	 0.112442
+H	-4.3898831606	-0.5806934129	-1.5656442218	 0.109805
+H	-2.7712058891	 1.9010153286	-2.3742939742	 0.111334
+H	-6.0829622633	 3.22353261	-0.1000138893	 0.199707
+19
+0 6058	5.5093263	0.4552788	0.4268892	3.0115	84.55	-0.25403	-0.04631	0.20772	2482.4257	0.153526	-422.541722	-422.530588	-422.529644	-422.580683	36.958
+C	-2.3861558066	-2.9726404186	 3.4555338877	-0.476741
+C	-1.1484808542	-2.1053596967	 3.3376767367	 0.247102
+O	-0.2234326057	-2.1696680009	 4.1197193096	-0.277223
+C	-1.1389453501	-1.182169655	 2.2186094022	 0.097282
+C	-1.1364193528	-0.4137590072	 1.2869303996	 0.009768
+C	-1.0922379577	 0.525086316	 0.175866956	-0.366683
+C	 0.3297223687	 1.0281377355	-0.1442140558	-0.193027
+C	 0.3354411623	 2.0431421237	-1.2885975022	-0.057012
+O	 1.640661253	 2.4624580964	-1.6417670232	-0.416639
+H	-2.2932627227	-3.6272949181	 4.323285452	 0.141944
+H	-3.2777689542	-2.3437962313	 3.5529283426	 0.144677
+H	-2.5149947494	-3.5696420489	 2.5462336503	 0.145031
+H	-1.5294077112	 0.0542136163	-0.7149048149	 0.14019
+H	-1.7435834033	 1.3782280534	 0.4117939335	 0.140602
+H	 0.7591279666	 1.4830625193	 0.7570298338	 0.108769
+H	 0.9724189638	 0.1829277273	-0.409849489	 0.126284
+H	-0.0836756144	 1.5894506768	-2.1941605462	 0.114124
+H	-0.3089476048	 2.9008945211	-1.0323084717	 0.087837
+H	 2.0237314628	 2.9130176008	-0.882198641	 0.283715
+19
+0 6059	5.0167786	0.5021885	0.4617501	3.5255	85.61	-0.257	-0.04759	0.20941	2348.6051	0.152594	-422.527004	-422.515837	-422.514893	-422.565651	36.647
+C	-5.9888913264	-2.5016852958	 1.2487611917	-0.387576
+C	-4.6408243814	-3.1934801098	 1.1537745665	-0.020898
+O	-3.6572334726	-2.2164749602	 0.8583312733	-0.241408
+C	-2.3649139472	-2.7704911792	 0.7506294404	-0.208973
+C	-1.3909115804	-1.7332698464	 0.4481008508	-0.019369
+C	-0.5546811458	-0.9002743035	 0.197017088	 0.131125
+C	 0.4430494173	 0.1087955278	-0.1054000675	 0.243768
+C	-0.0858814092	 1.5218454733	-0.2412608434	-0.477714
+O	 1.614388663	-0.1763291848	-0.2370661182	-0.276372
+H	-5.9763701028	-1.7445569994	 2.0375741262	 0.13125
+H	-6.2344809511	-2.0093812775	 0.3038020777	 0.131247
+H	-6.7732623577	-3.2293541852	 1.4766775867	 0.118704
+H	-4.3957404272	-3.7020953171	 2.1015494705	 0.090625
+H	-4.6537885498	-3.9668210465	 0.3671319071	 0.090624
+H	-2.073674423	-3.2772190686	 1.6878369552	 0.127366
+H	-2.3305014357	-3.5403743439	-0.0406033174	 0.12738
+H	-0.5819088806	 1.828287257	 0.685961218	 0.148759
+H	 0.7386693596	 2.1993609551	-0.4675315765	 0.142697
+H	-0.839151689	 1.5665382847	-1.0351614892	 0.148767
+19
+0 6060	5.813077	0.4738382	0.442968	2.538	85.15	-0.25475	-0.04613	0.20861999999999997	2428.1837	0.15304	-422.528485	-422.51731	-422.516366	-422.567844	36.5
+C	-2.918600544	-4.8125864892	 3.865049133	-0.232035
+O	-3.2198236012	-3.9450270748	 2.7963738666	-0.227987
+C	-2.1299927546	-3.1386922832	 2.4199953832	-0.044387
+C	-2.6000678721	-2.2544826364	 1.2587185042	-0.362113
+C	-1.5580856265	-1.3653205828	 0.7716100675	 0.025569
+C	-0.6675027357	-0.6418289277	 0.3951284075	 0.058446
+C	 0.3977173769	 0.2303864374	-0.0621043694	 0.249101
+C	 0.0417893154	 1.1409905238	-1.2203365156	-0.476989
+O	 1.4946464125	 0.2219382439	 0.4557194374	-0.277727
+H	-3.8207235552	-5.3899946959	 4.0797352092	 0.130862
+H	-2.103100987	-5.5068482056	 3.6090946897	 0.109005
+H	-2.6260471042	-4.2580327146	 4.7702710386	 0.109026
+H	-1.791229601	-2.5101855548	 3.259155895	 0.104038
+H	-1.2715358461	-3.752335996	 2.1030169283	 0.103958
+H	-2.9546903675	-2.8985240564	 0.444751382	 0.149018
+H	-3.4679925623	-1.6701811538	 1.5879774858	 0.149121
+H	-0.8042341601	 1.7816367086	-0.9490125405	 0.145464
+H	 0.9058831166	 1.7528193358	-1.4833313525	 0.142078
+H	-0.2735715339	 0.5450519217	-2.0836329398	 0.145552
+19
+0 6061	5.4082715	0.4949837	0.4694812	1.9032	84.54	-0.25381	0.0163	0.27010999999999996	2333.7624	0.153967	-422.479958	-422.469575	-422.468631	-422.517752	34.787
+C	-6.3973623989	 0.0945982104	 1.6668646729	-0.386966
+C	-5.4314649813	-1.0579877517	 1.4558248355	-0.017658
+O	-4.126053857	-0.5278171852	 1.3194054595	-0.240973
+C	-3.1546962967	-1.5339338163	 1.1173087588	-0.208657
+C	-1.8333233139	-0.9393398418	 0.9734756459	 0.024825
+C	-0.7339537205	-0.4661669486	 0.8425260057	 0.171541
+C	 0.5848272807	 0.0884271026	 0.7133869541	-0.12315
+C	 0.8035042844	 1.4377857081	 0.153931116	-0.157857
+O	 1.1023272087	 0.2815674496	-0.6150029441	-0.214292
+H	-6.1347579125	 0.6546540102	 2.5686450274	 0.129567
+H	-6.3665125674	 0.7807011813	 0.8159491172	 0.130238
+H	-7.4193545772	-0.2806166082	 1.7750633926	 0.115987
+H	-5.4698511391	-1.7587750274	 2.3075155989	 0.086941
+H	-5.7036477281	-1.6334881155	 0.5544145737	 0.087921
+H	-3.1507048372	-2.244077993	 1.9629884108	 0.116711
+H	-3.3909264146	-2.1255213836	 0.2152269848	 0.12004
+H	 1.3247842569	-0.2896079709	 1.4179755938	 0.117304
+H	-0.0584209607	 2.0139267735	-0.1764942135	 0.128733
+H	 1.6610606047	 2.0174099265	 0.49360672	 0.119748
+19
+0 6062	7.188741	0.4561122	0.4422504	1.2691	84.28	-0.25027	0.02524	0.27551	2438.9406	0.154389	-422.481282	-422.470886	-422.469941	-422.519418	34.66
+C	-6.6906045607	-0.4393912545	 0.8826230539	-0.230295
+O	-5.513782763	-0.7626354154	 1.5848441704	-0.227231
+C	-4.3435162717	-0.3983622361	 0.8918564774	-0.043208
+C	-3.1486263429	-0.7956744803	 1.7662248639	-0.357701
+C	-1.8715444096	-0.4651033357	 1.149581228	 0.067279
+C	-0.827648589	-0.1744573682	 0.6227940443	 0.10228
+C	 0.4151679491	 0.1467413892	-0.0236411611	-0.116823
+C	 1.5819653975	 0.6440409905	 0.7328331836	-0.159106
+O	 0.8094011693	 1.5302215873	-0.0649817989	-0.215893
+H	-6.7698646362	 0.643010412	 0.6951223201	 0.107036
+H	-6.7438800177	-0.95960413	-0.0868179626	 0.105967
+H	-7.5358994305	-0.7541269798	 1.4991624994	 0.129023
+H	-4.2855120279	-0.9100939334	-0.0825705103	 0.097204
+H	-4.3220505376	 0.6854782435	 0.6940283461	 0.101254
+H	-3.2441155592	-0.2940432097	 2.7366458019	 0.14216
+H	-3.2059132549	-1.8723769348	 1.9670464791	 0.141002
+H	 0.6123588132	-0.3876536916	-0.952566903	 0.115088
+H	 1.4908164015	 0.778379168	 1.8089438866	 0.123745
+H	 2.5842286002	 0.425913499	 0.3655228412	 0.118218
+19
+0 6063	7.8952381	0.4287754	0.4200072	2.8279	83.75	-0.24653	0.02924	0.27577	2476.1657	0.154583	-422.494953	-422.484464	-422.48352	-422.53372	35.224
+O	-5.3023816959	-2.5738224225	 3.8955901402	-0.420956
+C	-5.0232208688	-2.2844475955	 2.5359752044	-0.074294
+C	-3.6611817894	-1.6053933682	 2.4765523399	-0.156583
+C	-3.2599479735	-1.2350918168	 1.0359644763	-0.363106
+C	-1.9563139915	-0.5884458903	 0.9536508754	 0.04887
+C	-0.8742222494	-0.0612696409	 0.899868358	 0.142755
+C	 0.413525198	 0.5760888843	 0.865271011	-0.116237
+C	 1.008104369	 1.0704408966	-0.3927007857	-0.160325
+O	 1.4890884591	-0.1222428137	 0.2118977214	-0.216494
+H	-6.157686947	-3.0106073446	 3.942202865	 0.286825
+H	-5.0079811239	-3.2029020723	 1.9255295422	 0.08598
+H	-5.7897259753	-1.620286808	 2.1022126351	 0.084646
+H	-3.6844962526	-0.7046601617	 3.098392907	 0.118981
+H	-2.9094224262	-2.2720119787	 2.9108327699	 0.122135
+H	-3.2505361394	-2.1390695414	 0.4118461874	 0.13379
+H	-4.0224504842	-0.57594061	 0.5986493579	 0.129456
+H	 0.7156392616	 1.0696510733	 1.7886521569	 0.115278
+H	 0.456334992	 0.9380205666	-1.3214494217	 0.12205
+H	 1.6838782672	 1.9245477039	-0.3611439004	 0.117229
+19
+0 6064	6.6616596	0.4239383	0.4187247	2.7842	84.23	-0.24845	-0.02952	0.21893	2587.4404	0.152613	-422.51877	-422.50769	-422.506746	-422.55806	36.124
+C	 0.6422264808	-0.3653383632	-1.0086124377	-0.386842
+C	 1.2181529067	 0.1131808332	 0.3125125583	-0.018026
+O	 1.4240333172	 1.5112797838	 0.2300184966	-0.241166
+C	 1.9607250106	 2.0482344926	 1.4216622586	-0.205341
+C	 2.1535769877	 3.4858186609	 1.2831495864	 0.012634
+C	 2.3033348295	 4.676324824	 1.191415297	 0.120375
+C	 2.5443661878	 6.1055456672	 1.0673819399	-0.417244
+C	 4.0225851118	 6.4322564239	 0.8398556452	 0.170105
+O	 4.5741293596	 7.3851593942	 1.3180707066	-0.229771
+H	 0.471093764	-1.4455173717	-0.9799316568	 0.116372
+H	-0.3092482249	 0.1326809417	-1.2145966987	 0.129984
+H	 1.3300995436	-0.1433611837	-1.8291767192	 0.129777
+H	 0.5314592157	-0.1211593577	 1.143955336	 0.087532
+H	 2.1712880598	-0.3988530924	 0.5297377524	 0.087437
+H	 1.2893014713	 1.8456893359	 2.2747093058	 0.11698
+H	 2.924238376	 1.565841568	 1.6635934863	 0.115862
+H	 1.9968061964	 6.5011904509	 0.1979049579	 0.160098
+H	 2.1985266007	 6.6669642945	 1.9414706604	 0.155332
+H	 4.5504378356	 5.7146007379	 0.1751541952	 0.095903
+19
+0 6065	4.6635795	0.4492631	0.4218398	1.8993	83.41	-0.24825	-0.02861	0.21964	2517.156	0.153097	-422.519979	-422.508927	-422.507983	-422.55941	35.967
+C	-6.3085321834	 0.6620169116	-0.819144813	-0.230505
+O	-5.4280944887	 0.0674858842	 0.1049810145	-0.227158
+C	-4.0862028485	 0.4430672138	-0.0948983444	-0.042781
+C	-3.2444108282	-0.2701958153	 0.9690340209	-0.353268
+C	-1.8255161481	 0.0428329935	 0.8595597786	 0.050592
+C	-0.6596534528	 0.3281570571	 0.7611109813	 0.0568
+C	 0.7530911767	 0.6364867175	 0.5935219875	-0.41296
+C	 1.3325679475	 0.0244726054	-0.6838762363	 0.171517
+O	 2.1342283039	 0.5788402367	-1.3847827027	-0.230547
+H	-6.291332762	 1.7612063706	-0.7509231161	 0.10652
+H	-6.0646567621	 0.379445738	-1.8553957693	 0.10658
+H	-7.3155521352	 0.3092798502	-0.5843894086	 0.129523
+H	-3.7419877816	 0.1580814524	-1.1024901101	 0.097088
+H	-3.9632861726	 1.5345987404	-0.0041837534	 0.097848
+H	-3.6218403749	 0.0124041918	 1.9591368024	 0.140743
+H	-3.4056362971	-1.3506886531	 0.87368037	 0.139657
+H	 0.9494432698	 1.7135319881	 0.5754633715	 0.153072
+H	 1.3335374998	 0.2209715871	 1.4320940135	 0.154701
+H	 0.9566020476	-0.9971049303	-0.9099585264	 0.09258
+19
+0 6066	5.7973405	0.4041996	0.3952544	1.6187	82.93	-0.24795	-0.02867	0.21928	2661.2962	0.153514	-422.533326	-422.522273	-422.521328	-422.572663	36.463
+O	-1.8734021296	 3.3278862592	-1.7669104862	-0.418002
+C	-1.5285215655	 2.8958759172	-0.4624478359	-0.057005
+C	-1.8950661675	 1.4334512057	-0.2065765863	-0.190304
+C	-1.5782606614	 0.9961327976	 1.2377209379	-0.357088
+C	-1.8957739873	-0.4039659183	 1.4936036434	 0.037573
+C	-2.182390945	-1.559686001	 1.6747871157	 0.091915
+C	-2.4611962524	-2.9700434586	 1.9045165558	-0.413663
+C	-1.1878580285	-3.774966724	 2.1736410183	 0.172029
+O	-0.9992116948	-4.8849480983	 1.7568649998	-0.230899
+H	-1.3632549945	 2.8067236111	-2.3951613901	 0.282123
+H	-0.4571480536	 3.0563937385	-0.2553301889	 0.08688
+H	-2.085750826	 3.5474795276	 0.2204799467	 0.113364
+H	-2.9602961714	 1.2888297086	-0.4136004083	 0.121055
+H	-1.3457733562	 0.7882045358	-0.9042211164	 0.101031
+H	-0.5145356935	 1.1717256595	 1.4483399392	 0.130218
+H	-2.1322882891	 1.6325925029	 1.9407698378	 0.13244
+H	-3.1034224163	-3.0918452398	 2.7908201936	 0.153321
+H	-2.9880368841	-3.435959777	 1.0652644086	 0.153081
+H	-0.4419859034	-3.2476309167	 2.8075099355	 0.091931
+19
+0 6067	2.0722571	0.7450789	0.5739946	3.6295	83.04	-0.25065	-0.04569	0.20495999999999998	1923.6188	0.153357	-422.5425	-422.531146	-422.530202	-422.58243	37.018
+C	 1.4146110372	-0.247956607	 0.0718855613	-0.501309
+C	-0.0268468326	-0.0744991783	 0.0200767198	 0.026972
+C	-1.2241895785	 0.0697069583	-0.0356266016	 0.072567
+C	-2.6621691004	 0.2527677151	-0.1045010215	 0.235457
+O	-3.2030493648	 0.6691037138	-1.10763218	-0.284516
+C	-3.4361635739	-0.109675189	 1.1538304052	-0.304277
+C	-3.3318551401	-1.6032545488	 1.5023936333	-0.175614
+C	-4.0795552153	-1.948717494	 2.7840729044	-0.069693
+O	-3.9109136868	-3.3369112361	 3.0214783577	-0.420761
+H	 1.8220252832	 0.1124459662	 1.0224615621	 0.158962
+H	 1.6777348444	-1.3074593005	-0.0208897413	 0.163894
+H	 1.9101359314	 0.2937951057	-0.7402730174	 0.162353
+H	-3.0379565813	 0.4873070573	 1.9854190767	 0.115731
+H	-4.4761626705	 0.1854360973	 0.9859999789	 0.119974
+H	-3.7376684787	-2.208693956	 0.684211774	 0.119749
+H	-2.2814354623	-1.8891751437	 1.6207029473	 0.120402
+H	-3.6800252774	-1.3480455727	 3.618445988	 0.084378
+H	-5.144755529	-1.6867233905	 2.6764469888	 0.088975
+H	-4.4100889745	-3.5710742671	 3.8092086244	 0.286756
+19
+0 6068	4.656786	0.5799934	0.5224494	2.3861	84.83	-0.26193	-0.02782	0.23410999999999998	2143.7957	0.153668	-422.559475	-422.548363	-422.547418	-422.598398	36.362
+C	 0.5990440418	-0.6135367526	-0.7055026751	-0.384332
+C	 1.13195305	 0.2120088924	 0.4688167666	-0.191659
+C	 1.79385756	 1.497491626	 0.0000481072	-0.044268
+O	 2.2600734157	 2.2017241018	 1.1680460769	-0.234104
+C	 2.8804947187	 3.3733983117	 0.9295246084	 0.25726
+O	 3.0556142261	 3.8402853287	-0.1701329815	-0.360711
+C	 3.3059030916	 3.9930903257	 2.1612606355	-0.07584
+C	 3.6876282806	 4.5614856103	 3.1524525502	 0.231315
+C	 4.143564981	 5.2456542425	 4.3499153748	-0.508641
+H	 0.1265948483	-1.5344137384	-0.3526824534	 0.120344
+H	-0.1479926084	-0.0550097554	-1.27987835	 0.120913
+H	 1.4035893161	-0.8946545217	-1.3936968389	 0.120925
+H	 0.3170437252	 0.463564815	 1.1570874973	 0.11082
+H	 1.8593623552	-0.3716935366	 1.0443533329	 0.110805
+H	 2.6443535796	 1.3005172664	-0.6617678324	 0.12132
+H	 1.0957384477	 2.1388656081	-0.5490251762	 0.121192
+H	 4.413349695	 4.5318876085	 5.1352846028	 0.160032
+H	 5.0179445067	 5.870218049	 4.1393532834	 0.161845
+H	 3.355372049	 5.8957931984	 4.7452647816	 0.162785
+19
+0 6069	1.8292361	0.9527644	0.6364332	3.2737	83.47	-0.25406	-0.04897	0.20509	1766.7042	0.152437	-422.527953	-422.516572	-422.515628	-422.568218	36.731
+C	-2.6846159887	-4.3820697467	-1.4582058482	-0.386471
+C	-3.5852366298	-3.3031230189	-0.8827922914	-0.03046
+O	-2.7934483648	-2.1690958749	-0.5816496765	-0.239074
+C	-3.5302055466	-1.1084523361	-0.0419352007	-0.153504
+C	-2.6410793517	 0.0939184285	 0.2703184055	 0.16955
+O	-3.1303355198	 1.0981780882	 0.7439163758	-0.288202
+C	-1.2326754256	-0.0248891303	-0.018899393	 0.145829
+C	-0.0475991741	-0.072151591	-0.2421654965	 0.006957
+C	 1.3775040539	-0.1343191219	-0.5110069033	-0.501944
+H	-3.2684920212	-5.2745591991	-1.7017754359	 0.116889
+H	-2.1951374524	-4.0269772972	-2.3693747557	 0.128419
+H	-1.9098108808	-4.6588832361	-0.7378178775	 0.128484
+H	-4.3758582364	-3.0310584514	-1.6022820995	 0.090149
+H	-4.0908796323	-3.6631771585	 0.0290521115	 0.090142
+H	-4.3185198908	-0.7609604244	-0.7312376098	 0.11929
+H	-4.0355964916	-1.3929024253	 0.896694293	 0.119258
+H	 1.9470319586	-0.1142630012	 0.4247828946	 0.163087
+H	 1.6444783554	-1.0483962602	-1.0511717561	 0.159202
+H	 1.6990331786	 0.7245360165	-1.1101100161	 0.162397
+19
+0 6070	2.1722804	0.7618945	0.5899959	3.9446	83.55	-0.25423	-0.04974	0.20449	1899.1341	0.152955	-422.527231	-422.515875	-422.514931	-422.568317	36.51
+C	-3.3028147032	 0.5999483715	 4.7702266899	-0.230036
+O	-3.5219362639	 0.9996383299	 3.4381453092	-0.227338
+C	-2.9019731256	 0.1465142744	 2.5032408631	-0.057085
+C	-3.2346460542	 0.6666687755	 1.1035258881	-0.30386
+C	-2.5477406208	-0.132331605	 0.0075098519	 0.223677
+O	-3.1622876398	-0.8080858396	-0.7911517324	-0.28171
+C	-1.1000335321	-0.0405776495	-0.0296607689	 0.069818
+C	 0.1041591652	 0.038580291	-0.0684912002	 0.029622
+C	 1.5532013744	 0.1202558267	-0.1308763123	-0.501517
+H	-3.7015761676	-0.40804334	 4.9656897668	 0.106501
+H	-2.2312656748	 0.5994741436	 5.0264834746	 0.103526
+H	-3.8195526846	 1.3150889197	 5.4146510838	 0.129293
+H	-1.8103357258	 0.1293830657	 2.6556159026	 0.096626
+H	-3.2656360999	-0.8883233821	 2.620566379	 0.098251
+H	-4.3121014057	 0.6197671975	 0.9308996187	 0.130166
+H	-2.9105400456	 1.7123652999	 1.0440587708	 0.127082
+H	 1.9398364035	 0.9171658942	 0.5125775357	 0.158048
+H	 2.0062010846	-0.8239975386	 0.1908130649	 0.164049
+H	 1.8884730658	 0.3149293351	-1.1552193755	 0.164888
+19
+0 6071	2.6750555	0.8236414	0.650413	1.8297	78.28	-0.25799	0.01079	0.26878	1733.2168	0.153455	-422.556733	-422.546023	-422.545079	-422.594949	36.39
+C	-3.2160360315	-3.5767350113	-0.7262093435	-0.384897
+C	-1.7450319401	-3.1568431433	-0.6599319512	-0.189982
+C	-1.5941174511	-1.6599874446	-0.4478450718	-0.04502
+O	-0.1827826481	-1.3628238232	-0.3989990106	-0.22747
+C	 0.138770995	-0.080962556	-0.1883738967	 0.444655
+O	-0.6567655747	 0.8127828195	-0.0536056732	-0.357453
+C	 1.6538577062	 0.1350352328	-0.1940206906	-0.467557
+C	 2.447571279	-0.928776698	 0.4020896103	 0.322176
+C	 3.1221882862	-1.7863464655	 0.9033880195	-0.452388
+H	-3.7449467997	-3.327416036	 0.2000345304	 0.121495
+H	-3.7375207768	-3.0780269204	-1.5504127557	 0.120747
+H	-3.30645103	-4.6554569668	-0.880320241	 0.121627
+H	-1.2357596747	-3.6826409085	 0.155459983	 0.114107
+H	-1.2282012815	-3.4378389388	-1.5845905384	 0.110944
+H	-2.0498981412	-1.0836932542	-1.2603098184	 0.120453
+H	-2.0576136262	-1.3298640223	 0.4877618372	 0.12353
+H	 1.9450431029	 0.2742435629	-1.2444539852	 0.161664
+H	 1.8325837179	 1.0913067711	 0.3055019075	 0.163388
+H	 3.7100637185	-2.5517258573	 1.3459737586	 0.199981
+19
+0 6072	3.5493551	0.7138033	0.6031589	3.3311	79.77	-0.24792	-0.01755	0.23037	1826.4376	0.151939	-422.525207	-422.514265	-422.513321	-422.563304	36.988
+C	 2.2723322055	 3.2987462392	-1.836721642	-0.388118
+C	 1.6164158639	 2.1020273279	-1.1714799794	-0.030417
+O	 1.7882248149	 2.2131783924	 0.2313633684	-0.2421
+C	 1.2163335312	 1.1520290204	 0.9509357468	-0.162167
+C	 1.4296473151	 1.319467344	 2.4559367928	 0.343811
+O	 0.9991386945	 0.4935472395	 3.2182152847	-0.279425
+C	 2.201876223	 2.568902547	 2.8913779721	-0.476289
+C	 2.3815037288	 2.6878437616	 4.3267685004	 0.311853
+C	 2.5339300197	 2.7928439983	 5.5129772571	-0.41586
+H	 3.3404845197	 3.3307774948	-1.6043085128	 0.129715
+H	 2.155282897	 3.2394870898	-2.9226730789	 0.12134
+H	 1.8165452465	 4.2301024841	-1.4891249024	 0.129718
+H	 0.5418730547	 2.0601536615	-1.414393954	 0.094223
+H	 2.0653758358	 1.1610178032	-1.5297321016	 0.094217
+H	 0.1299782088	 1.07825223	 0.7760050079	 0.124739
+H	 1.6502242398	 0.1806408894	 0.6604435275	 0.124725
+H	 3.1641482918	 2.5609203095	 2.3628688941	 0.162001
+H	 1.6782077959	 3.4398585411	 2.4759802194	 0.162029
+H	 2.6661616335	 2.8812454863	 6.5626376301	 0.196002
+19
+0 6073	2.9210674	0.7387942	0.6060826	1.2153	78.81	-0.24793	-0.02065	0.22728	1817.2715	0.152407	-422.524519	-422.513676	-422.512732	-422.562239	36.729
+C	 1.1191885604	-0.5776428021	 0.226077485	-0.228376
+O	-0.109811951	-0.4517531932	 0.9002136585	-0.235835
+C	-0.4732394191	 0.89289479	 1.1239147537	-0.053809
+C	-1.8053747793	 0.8948441518	 1.8579504192	-0.317625
+C	-2.3063213499	 2.2870526077	 2.1701191682	 0.378043
+O	-1.6679670922	 3.283980571	 1.9299543075	-0.295613
+C	-3.7211250649	 2.417452193	 2.7751636048	-0.441566
+C	-4.1262300935	 1.3536218259	 3.6805701408	 0.298005
+C	-4.4508393971	 0.4746869399	 4.4331581366	-0.447893
+H	 1.9471545995	-0.1290263223	 0.7977015064	 0.105405
+H	 1.3153930857	-1.645070282	 0.0990446138	 0.126406
+H	 1.0922188603	-0.1001124151	-0.7663931931	 0.104612
+H	 0.2906785614	 1.4150138636	 1.7205329301	 0.103249
+H	-0.55882148	 1.440759176	 0.1718480351	 0.097584
+H	-2.5676849367	 0.3598921171	 1.2766068205	 0.134222
+H	-1.7253759767	 0.3356514146	 2.7980458415	 0.151942
+H	-3.7705184351	 3.3976806763	 3.2591764441	 0.159317
+H	-4.4129750037	 2.4591072271	 1.9206490446	 0.15794
+H	-4.7402786481	-0.3007584394	 5.0985273828	 0.203992
+19
+0 6074	2.1487917	0.885156	0.6837588	1.0812	77.97	-0.24349	-0.02559	0.2179	1639.8585	0.15327	-422.535256	-422.524409	-422.523465	-422.573275	37.047
+O	 0.2931559441	-1.7049494797	-1.1521160476	-0.41645
+C	-0.0587048491	-0.333092113	-1.171559124	-0.05464
+C	-1.0375203799	 0.0424643274	-0.0560359314	-0.211329
+C	-1.4547341632	 1.5228865187	-0.1365693041	-0.296828
+C	-2.4058266852	 1.9629811095	 0.9639527234	 0.375118
+O	-2.1187734272	 2.8146665188	 1.7666719561	-0.286693
+C	-3.7983722739	 1.2844413748	 1.012227385	-0.417261
+C	-3.786995445	 0.1044449502	 1.8666366735	 0.312275
+C	-3.7586800666	-0.862671135	 2.5796109012	-0.45912
+H	 0.7660548989	-1.8776791709	-0.3317324798	 0.282947
+H	 0.8326809027	 0.3133574382	-1.1219521325	 0.090699
+H	-0.5238664677	-0.1613688232	-2.1491325674	 0.111856
+H	-1.9094823063	-0.6158089104	-0.1172275254	 0.126698
+H	-0.5696948919	-0.1490862177	 0.9184586237	 0.107329
+H	-0.5780859332	 2.1748356471	-0.0814560877	 0.123234
+H	-1.947359477	 1.703351472	-1.1027912859	 0.116721
+H	-4.4980225973	 2.0273150409	 1.4088979275	 0.15676
+H	-4.1242916031	 1.0120546894	 0.0013859907	 0.134779
+H	-3.745904129	-1.7167728971	 3.2104293449	 0.203906
+19
+0 6075	2.8085954	0.7768502	0.6369307	2.9008	79.7	-0.25515	-0.03782	0.21733	1762.2134	0.152135	-422.514721	-422.503795	-422.502851	-422.55229	36.865
+C	 0.7612813154	-0.7550872347	-0.6582511469	-0.38397
+C	 0.8441211209	 0.3212750613	 0.4271276382	-0.184465
+C	 1.8081413474	 1.4383706864	 0.0563837462	-0.041658
+O	 1.8172759083	 2.3901963248	 1.1137898219	-0.251201
+C	 2.6574345299	 3.5020165388	 0.8933772542	-0.12303
+C	 2.3708089338	 4.4673304838	 2.0579825202	 0.157085
+O	 2.3581052754	 5.6607120219	 1.9520474162	-0.233634
+C	 4.0853245193	 3.1655324376	 0.9014396036	 0.327333
+C	 5.2564367563	 2.8983591939	 0.9519174507	-0.471063
+H	 0.0652269392	-1.5476804036	-0.3699958925	 0.120757
+H	 0.4135915329	-0.3378951072	-1.6096731952	 0.118601
+H	 1.7375809909	-1.2189055703	-0.8364678889	 0.119444
+H	-0.1450223247	 0.757238642	 0.6075433873	 0.109278
+H	 1.1707289477	-0.1191822988	 1.3759254048	 0.111004
+H	 2.8220269544	 1.0421158628	-0.1013777391	 0.104989
+H	 1.4949192405	 1.9268098384	-0.8812943328	 0.090831
+H	 2.404025294	 4.0217213139	-0.0435804115	 0.115832
+H	 2.1749097692	 3.9356284687	 3.0124994939	 0.103973
+H	 6.2924809293	 2.6647442903	 0.9825365896	 0.209895
+19
+0 6076	2.7559182	0.8346547	0.6657158	3.3756	80.45	-0.24951	-0.02757	0.22194	1685.158	0.152392	-422.519611	-422.508784	-422.50784	-422.556858	36.704
+C	 6.5834541329	-2.1075790935	 1.4734286221	-0.385716
+C	 5.0804785889	-2.203843633	 1.6673506241	-0.033566
+O	 4.4582774798	-1.2255528408	 0.8525073651	-0.243031
+C	 3.0567909964	-1.2212815864	 0.9503420717	-0.069543
+C	 2.5416340964	-0.0980104293	 0.0360244962	-0.25395
+C	 3.1407646539	 1.2446007586	 0.4866012691	 0.183334
+O	 3.7302507145	 1.9982999366	-0.2342521225	-0.235767
+C	 1.0883355105	-0.0036370262	 0.0924699882	 0.287008
+C	-0.1059798888	 0.1000506498	 0.1805839935	-0.445064
+H	 7.0940108657	-2.8517849993	 2.0916136587	 0.117905
+H	 6.8471857954	-2.2837908467	 0.427000089	 0.131384
+H	 6.943615586	-1.1142742838	 1.7550288779	 0.132438
+H	 4.7148337019	-3.2072398485	 1.3930592931	 0.091625
+H	 4.8115111626	-2.0396324367	 2.7240386248	 0.090992
+H	 2.6231393149	-2.1836548423	 0.6378480499	 0.108254
+H	 2.7291096659	-1.0347425088	 1.9870922937	 0.100651
+H	 2.8835684209	-0.2770989767	-0.9886260736	 0.133595
+H	 2.9595717123	 1.4700908124	 1.5616082655	 0.084444
+H	-1.1631855702	 0.1862557446	 0.2357217234	 0.205008
+19
+0 6077	2.66982	0.7908987	0.6333681	1.3949	80.08	-0.25515	-0.0348	0.22035	1742.4939	0.152519	-422.514909	-422.503996	-422.503052	-422.552539	36.651
+C	 1.3726210225	-0.02463635	-0.1703117269	-0.231891
+O	-0.0122450712	-0.0674413715	 0.0821802925	-0.233063
+C	-0.3940634182	 0.7257157411	 1.1818693025	-0.065646
+C	-1.9044985264	 0.5932976509	 1.3453641039	-0.217964
+C	-2.455295014	 1.4222970656	 2.5362738076	-0.259334
+C	-1.9575535458	 0.8180869133	 3.8549344747	 0.170646
+O	-1.1007185658	 1.3059217031	 4.5404309989	-0.244215
+C	-3.9130117426	 1.4430207504	 2.5446720631	 0.286857
+C	-5.1141983739	 1.4221229626	 2.5838910403	-0.420887
+H	 1.9561823167	-0.3923348796	 0.6883579454	 0.107785
+H	 1.5672827554	-0.6678615552	-1.0316897816	 0.12907
+H	 1.7139739106	 0.9962669697	-0.4038660039	 0.105966
+H	 0.1326805213	 0.4030961542	 2.0954132839	 0.103216
+H	-0.1199266992	 1.782182641	 1.0142135739	 0.091447
+H	-2.3979653201	 0.9265565592	 0.4282332652	 0.130614
+H	-2.166043869	-0.4623915289	 1.4787878068	 0.123315
+H	-2.0604376827	 2.4439371037	 2.4852437424	 0.125904
+H	-2.45143599	-0.1428459544	 4.1205147042	 0.094771
+H	-6.1760543576	 1.4238350549	 2.6083420372	 0.20341
+19
+0 6078	2.6674489	0.7500365	0.6074289	3.623	79.36	-0.25229	-0.03215	0.22014	1780.7302	0.152845	-422.529551	-422.518604	-422.517659	-422.567198	37.157
+O	 6.6658275582	-2.341845713	 1.498614758	-0.418481
+C	 5.2683283919	-2.2907669078	 1.7324781155	-0.079855
+C	 4.6855421391	-1.2131098534	 0.8264215812	-0.178453
+C	 3.1681309564	-1.0820241543	 0.9807988535	-0.210758
+C	 2.5564363549	 0.0246155684	 0.0774352653	-0.255426
+C	 3.0318432269	 1.4000717616	 0.5589762461	 0.17219
+O	 3.8152963117	 2.0923368555	-0.030727852	-0.241272
+C	 1.0989250324	-0.0042834068	 0.1069935609	 0.287861
+C	-0.1016719974	 0.0028074922	 0.1693669694	-0.425642
+H	 7.044040156	-3.0148683191	 2.0717651616	 0.287331
+H	 4.7896289429	-3.259875707	 1.5138664523	 0.085781
+H	 5.0466458661	-2.0505535512	 2.7856527333	 0.086011
+H	 5.1839743385	-0.263169843	 1.0495580344	 0.12543
+H	 4.9380093075	-1.4574596391	-0.2122623422	 0.115195
+H	 2.6757267087	-2.0273204198	 0.7287478557	 0.119878
+H	 2.9028461849	-0.8674646389	 2.0242415141	 0.111736
+H	 2.9214604443	-0.0997819486	-0.948432231	 0.126182
+H	 2.5928557333	 1.7047346332	 1.5355471512	 0.089981
+H	-1.1632476962	-0.0004551987	 0.2031835126	 0.202311
+19
+0 6079	2.7104431	0.9222256	0.7665937	1.6841	78.92	-0.26018	0.0231	0.28328000000000003	1544.0052	0.152998	-422.484076	-422.473808	-422.472864	-422.520478	35.882
+C	 4.0127793086	-1.0469791406	-0.7439433421	-0.38559
+C	 2.669837054	-1.2180520174	-0.0557086158	-0.02334
+O	 1.7129542605	-0.4262699783	-0.734860643	-0.245728
+C	 0.427399296	-0.5024801818	-0.1710040502	-0.138247
+C	-0.4669641671	 0.4956920642	-0.8835313889	 0.198554
+C	-1.1888201266	 0.071417431	-2.0989889152	-0.202675
+O	-1.8651583389	 0.1575667687	-0.8478123528	-0.268256
+C	-0.1475698619	 1.8892901969	-0.6901745089	 0.314589
+C	 0.1314954069	 3.0430992531	-0.504669383	-0.446679
+H	 4.7773030925	-1.6458664322	-0.2402316271	 0.115955
+H	 3.9529001399	-1.366627004	-1.7881081984	 0.127223
+H	 4.3218961693	 0.0017394833	-0.7237600844	 0.130754
+H	 2.3605231551	-2.2769634313	-0.0646317207	 0.087084
+H	 2.731665637	-0.9097726326	 1.0013206125	 0.090736
+H	-0.0110046348	-1.5066169353	-0.2858801324	 0.097039
+H	 0.4531794524	-0.2693170022	 0.9058232769	 0.100335
+H	-1.4694427437	 0.8207067647	-2.8357366851	 0.127256
+H	-1.0256179296	-0.9353176328	-2.4810751669	 0.12067
+H	 0.3740591604	 4.0652318166	-0.3485165843	 0.200321
+19
+0 6080	2.8120051	0.8747634	0.73429	1.0444	78.9	-0.25317	0.02197	0.27514	1581.496	0.153305	-422.482662	-422.472453	-422.471509	-422.518699	35.763
+C	 1.4209371297	-0.1325129165	-0.0266313849	-0.229113
+O	 0.02792404	 0.0659383272	-0.0146210397	-0.231999
+C	-0.429781037	 0.6557626611	 1.1821961851	-0.052
+C	-1.9444980597	 0.8053044419	 1.0792163534	-0.296554
+C	-2.5515502429	 1.4257500897	 2.3238309427	 0.197888
+C	-3.8419261899	 0.9297753292	 2.8473174172	-0.213467
+O	-2.6203194434	 0.5482044356	 3.468531617	-0.262838
+C	-2.1639103264	 2.7875235452	 2.6189577988	 0.317056
+C	-1.8323216467	 3.9231050044	 2.8322637475	-0.444487
+H	 1.746073367	-0.8010146411	 0.7863976026	 0.105103
+H	 1.6784233818	-0.5909380351	-0.9846097186	 0.126066
+H	 1.9705693504	 0.8172081655	 0.0723228387	 0.10387
+H	-0.173649275	 0.0273245616	 2.0508534035	 0.102294
+H	 0.0432362	 1.6392714351	 1.3373789135	 0.098376
+H	-2.1869022945	 1.4219771416	 0.2069016253	 0.118934
+H	-2.3896404475	-0.1819575757	 0.9243498728	 0.116486
+H	-4.47421425	 1.6003730059	 3.4260867758	 0.124182
+H	-4.3615016041	 0.1436514079	 2.3004960404	 0.118705
+H	-1.5415956022	 4.9249800966	 3.032295479	 0.2015
+19
+0 6081	2.762812	0.8273159	0.7004853	2.642	78.12	-0.26126	0.02214	0.2834	1620.2096	0.153734	-422.49706	-422.486861	-422.485917	-422.533073	36.225
+O	 1.8647951045	 0.0513608076	-3.2167274076	-0.418277
+C	 2.2687664918	 0.1531565804	-1.8617282071	-0.057634
+C	 1.0942949695	 0.0961038025	-0.8846830706	-0.199381
+C	 1.5336000072	 0.270074261	 0.5741416048	-0.292368
+C	 0.3724212472	 0.1995098509	 1.5514648506	 0.214111
+C	 0.3239598985	 1.1015915426	 2.7213872751	-0.216
+O	-0.4740542682	 1.3666621182	 1.5729644133	-0.262133
+C	-0.3233384794	-1.0663765195	 1.6247091097	 0.318679
+C	-0.8725346435	-2.1347500392	 1.6706013389	-0.447549
+H	 1.4231539264	-0.7966248795	-3.3280744402	 0.28049
+H	 3.0085093113	-0.6237864266	-1.6045036617	 0.083414
+H	 2.7802598476	 1.1190640917	-1.77992565	 0.111447
+H	 0.3722912095	 0.8767760744	-1.1473659155	 0.124308
+H	 0.5778418408	-0.8669967902	-0.9945508936	 0.100451
+H	 2.2661341989	-0.5008882728	 0.844874359	 0.109535
+H	 2.0227505041	 1.2421701417	 0.7025289081	 0.109154
+H	-0.2206788853	 0.7927216968	 3.6115835955	 0.123888
+H	 1.1541055468	 1.7870387481	 2.8896014386	 0.116623
+H	-1.3701778177	-3.0720295681	 1.7178129428	 0.201242
+19
+0 6082	2.7589149	1.0198882	0.8181608	1.8064	78.76	-0.24853	0.03149	0.28002	1424.4399	0.153979	-422.492774	-422.482862	-422.481918	-422.528318	36.075
+O	-0.9182665766	 5.1069566029	 0.2479029504	-0.42222
+C	-0.4430072285	 4.3310534211	-0.8350846377	-0.063027
+C	-0.8043226976	 2.8638702424	-0.6755265315	-0.090612
+O	-0.188465971	 2.4294181838	 0.5366577678	-0.292139
+C	-0.5178143511	 1.1256825689	 0.9260520333	 0.26317
+C	-0.5255942149	 0.906166041	 2.4171896443	-0.313206
+C	-1.8320367748	 0.9319086846	 1.666484704	-0.316179
+C	-0.0404694067	 0.0790761946	 0.0565282441	 0.317333
+C	 0.3578609703	-0.7793954441	-0.6858447598	-0.503884
+H	-0.5969776045	 4.6689522778	 1.044242731	 0.287538
+H	-0.9092756757	 4.7252530662	-1.7438195015	 0.110013
+H	 0.6487953065	 4.4220347701	-0.9482359748	 0.096572
+H	-1.8949049802	 2.7457712568	-0.6047632701	 0.09986
+H	-0.440356265	 2.2716972948	-1.5263853521	 0.105564
+H	-0.1528424516	-0.0407698276	 2.7878198498	 0.131931
+H	-0.2697599191	 1.7731284977	 3.0151943101	 0.128773
+H	-2.3694493454	 0.0029233309	 1.518899837	 0.130433
+H	-2.4500551158	 1.8169854136	 1.7671642308	 0.129954
+H	 0.7144303517	-1.5412513655	-1.3340934551	 0.200125
+19
+0 6083	7.3842923	0.5586629	0.5539749	2.4105	81.48	-0.2601	0.01919	0.27929	2022.6256	0.15313	-422.483702	-422.473417	-422.472473	-422.520147	35.59
+C	-2.0249136858	 0.2151643382	-2.7646525754	-0.385289
+C	-1.2680388999	 0.8978798835	-1.6387837754	-0.026065
+O	 0.0647817579	 0.4231728733	-1.6403330256	-0.244898
+C	 0.8629945469	 1.0027887066	-0.6369866505	-0.082172
+C	 2.2491840291	 0.4274692225	-0.7445633116	 0.055175
+O	 2.5161531506	-0.78226338	-0.0419558393	-0.233594
+C	 3.158837279	 0.4179422958	 0.4188424442	-0.163936
+C	 4.585376088	 0.5173754229	 0.2653932459	 0.318477
+C	 5.7786691192	 0.6144769072	 0.1608161599	-0.409411
+H	-2.020380939	-0.8694858316	-2.6259793735	 0.131761
+H	-3.0631799308	 0.5591793371	-2.7885405239	 0.115664
+H	-1.5618338945	 0.4392876713	-3.7297092776	 0.127685
+H	-1.2793922076	 1.9935580896	-1.7703315118	 0.085628
+H	-1.743841866	 0.6859704277	-0.66645309	 0.089325
+H	 0.9105352402	 2.0996901292	-0.7605049914	 0.092569
+H	 0.4575485219	 0.7960140698	 0.3671544199	 0.095923
+H	 2.6943395142	 0.4771265935	-1.7377488946	 0.11366
+H	 2.7700056273	 0.786486832	 1.3683479923	 0.115953
+H	 6.8329500692	 0.6963518912	 0.0625606783	 0.203545
+19
+0 6084	8.4639718	0.5388852	0.5304272	1.2221	81.27	-0.25724	0.01997	0.27721	2063.1525	0.153454	-422.481814	-422.471525	-422.470581	-422.518188	35.466
+C	 1.383124769	-0.0599402004	-0.1727907182	-0.230076
+O	-0.0144894452	 0.0672111417	-0.0649886299	-0.231497
+C	-0.4191817927	 0.6517032322	 1.1518666154	-0.045398
+C	-1.9438813447	 0.7154282188	 1.1655778977	-0.246772
+C	-2.4657574038	 1.3626674016	 2.4228464681	 0.066404
+O	-2.4140748067	 0.5854262484	 3.6205048958	-0.242432
+C	-3.7083306236	 0.9092447326	 3.0826140276	-0.163511
+C	-4.5377404586	 1.8056199339	 3.8422469343	 0.318361
+C	-5.2512778421	 2.5439720052	 4.466978681	-0.410701
+H	 1.7990860478	-0.6934345272	 0.6265851138	 0.106219
+H	 1.5959480318	-0.5246236125	-1.1385505999	 0.127666
+H	 1.8876111798	 0.9186761518	-0.1303983355	 0.103661
+H	-0.0609524409	 0.0592424256	 2.0096527061	 0.105365
+H	 0.0090504577	 1.6646117915	 1.2555442032	 0.08426
+H	-2.2847866406	 1.284913219	 0.2927965071	 0.116567
+H	-2.3440675453	-0.2993806794	 1.0749523711	 0.116026
+H	-2.1914347925	 2.4083111728	 2.5724862992	 0.104302
+H	-4.2269614658	 0.0577922092	 2.6425730395	 0.118454
+H	-5.8777988637	 3.1983263153	 5.0214106537	 0.203101
+19
+0 6085	8.1486139	0.5151668	0.5080462	2.6145	80.58	-0.25836	0.01961	0.27797	2111.8701	0.153884	-422.495902	-422.485627	-422.484682	-422.532223	35.943
+O	 2.5722952489	 2.0183961117	-2.7850692054	-0.41674
+C	 2.6684062941	 1.238717016	-1.6053632634	-0.057602
+C	 1.3360368514	 1.1058030355	-0.8666910275	-0.195355
+C	 1.4617856337	 0.3203313663	 0.4461899387	-0.236044
+C	 0.1385951461	 0.1857408027	 1.1579030743	 0.076109
+O	-0.355626468	 1.3448715132	 1.8270003218	-0.241807
+C	 0.0272144383	 0.2147835475	 2.6319281473	-0.165786
+C	-1.0153960925	-0.4854767821	 3.3322422784	 0.319355
+C	-1.8705164332	-1.0783758254	 3.9338851354	-0.411817
+H	 1.9624026841	 1.5745762642	-3.3829805263	 0.280602
+H	 3.0807805047	 0.2379466831	-1.8177789614	 0.083873
+H	 3.3972076813	 1.7550028547	-0.9703031545	 0.113793
+H	 0.9404511273	 2.1063447429	-0.6611132796	 0.127887
+H	 0.6089835885	 0.6065373857	-1.5238773179	 0.08737
+H	 1.8577655777	-0.6849722199	 0.24838928	 0.106097
+H	 2.1749814562	 0.8212991427	 1.1114542447	 0.108894
+H	-0.6333185101	-0.3699114182	 0.6222635277	 0.101732
+H	 0.9435086321	 0.3719301384	 3.2006738869	 0.116428
+H	-2.6301043206	-1.5996780491	 4.4624498608	 0.203012
+19
+0 6086	4.5494697	0.6670907	0.6102057	1.9551	80.74	-0.24933	0.04525	0.29458	1802.2354	0.154241	-422.491909	-422.481946	-422.481002	-422.527797	35.717
+O	-2.4218365929	-2.6932099365	 4.3702787133	-0.420123
+C	-2.2400789884	-3.27628706	 3.0963676116	-0.058808
+C	-2.6284749613	-2.3165518402	 1.9837170388	-0.074879
+O	-1.7808654749	-1.1788435508	 2.1189193565	-0.268905
+C	-2.1012084038	-0.1338238596	 1.2605985579	 0.129195
+C	-1.5530933643	-0.1353018359	-0.1364002243	-0.312936
+C	-0.9669434838	 0.801735726	 0.9229611908	-0.234219
+C	-1.185847437	 2.2158191715	 0.8537556208	 0.311703
+C	-1.3736823587	 3.4023108803	 0.7920146805	-0.44617
+H	-1.9783404927	-1.8375399805	 4.3339439616	 0.290796
+H	-1.1973514284	-3.5979633574	 2.9431143498	 0.093609
+H	-2.8759068578	-4.1665450706	 3.0521753586	 0.110408
+H	-2.5016311158	-2.7811085124	 0.9944338121	 0.094122
+H	-3.6808983918	-2.0159327462	 2.0958067267	 0.101526
+H	-3.0835581077	 0.3088978005	 1.4233179664	 0.107164
+H	-0.9301986676	-0.9737024708	-0.4263242384	 0.125719
+H	-2.1448984646	 0.3074782275	-0.9286106569	 0.129947
+H	-0.0069678953	 0.490258403	 1.3237177262	 0.125188
+H	-1.5366243932	 4.4501618121	 0.7422615781	 0.196664
+19
+0 6087	10.3229921	0.4072305	0.395635	4.039	86.24	-0.26742	-0.06164	0.20578	2674.3428	0.153064	-422.5139	-422.502854	-422.50191	-422.552311	35.861
+C	 0.9336964392	-0.7720986744	-0.676057595	-0.384441
+C	 1.0285059156	 0.2360037936	 0.4718609077	-0.186039
+C	 1.7536457048	 1.5097290677	 0.0629546803	-0.023141
+O	 1.7963977268	 2.3831552361	 1.1784898034	-0.245242
+C	 2.4535865173	 3.5949741471	 0.8903228419	-0.211479
+C	 2.4710153622	 4.4545601699	 2.0635190799	 0.048168
+C	 2.50659985	 5.1974754762	 3.0145335977	 0.086879
+C	 2.5239449911	 6.0482235415	 4.1754942173	 0.020773
+O	 3.0239673715	 7.1491588588	 4.2114426709	-0.229581
+H	 0.4094232605	-1.6776794467	-0.3586730392	 0.121723
+H	 0.38885394	-0.3554707818	-1.5303569974	 0.118354
+H	 1.9268370549	-1.0703498103	-1.029577683	 0.118354
+H	 0.0276400398	 0.5052962356	 0.8273416759	 0.112028
+H	 1.5560422971	-0.2050724165	 1.3249580676	 0.112027
+H	 2.7776098644	 1.2788120425	-0.2786219715	 0.088806
+H	 1.2344110158	 1.9960724736	-0.7810619962	 0.088808
+H	 3.4930571052	 3.4155786465	 0.56216029	 0.130313
+H	 1.9562771418	 4.1299729825	 0.0615678959	 0.130311
+H	 2.028960602	 5.6056874381	 5.063703564	 0.103377
+19
+0 6088	7.4837557	0.423898	0.4052313	3.2065	85.88	-0.26496	-0.05957	0.20538999999999996	2599.7765	0.15338	-422.520926	-422.509897	-422.508953	-422.559769	35.799
+C	-0.1574687392	 2.2454068676	 3.5789978717	-0.385433
+C	 0.1565230576	 1.4325471495	 2.335117288	-0.033849
+O	-0.4511435577	 2.0613367708	 1.220856593	-0.240559
+C	-0.2233124898	 1.3887646059	 0.0077352421	-0.046418
+C	-0.9364719356	 2.1869905054	-1.0909593625	-0.362792
+C	-0.7814011363	 1.5976243925	-2.4096791051	 0.090349
+C	-0.6313283525	 1.0783499038	-3.490300354	 0.017502
+C	-0.4809911175	 0.4984102252	-4.7987973375	 0.024547
+O	 0.140214686	-0.5126989697	-5.0357291066	-0.23107
+H	 0.299654693	 1.7841770255	 4.4593242394	 0.118469
+H	 0.2289587057	 3.2636565363	 3.4799563684	 0.128161
+H	-1.2379529174	 2.302277138	 3.7379957316	 0.128166
+H	 1.2461544361	 1.362746632	 2.1805964136	 0.091117
+H	-0.221024091	 0.4015981702	 2.4383575507	 0.091113
+H	 0.8534071558	 1.3207152252	-0.2156151169	 0.104066
+H	-0.6164550669	 0.3600780798	 0.0408489978	 0.104081
+H	-2.0015394035	 2.2634016467	-0.8398915467	 0.152265
+H	-0.5478494211	 3.2127734787	-1.093645032	 0.152254
+H	-0.9926241858	 1.0629345065	-5.605069095	 0.098033
+19
+0 6089	6.6224054	0.4159441	0.3952146	4.7163	85.79	-0.26273	-0.05822	0.20451000000000003	2643.6079	0.153324	-422.515493	-422.504348	-422.503404	-422.555634	35.765
+C	-6.5355661461	 1.5193980581	-2.4054784201	-0.230978
+O	-5.1328627432	 1.5218141155	-2.2869404912	-0.230564
+C	-4.6665434292	 0.6947341219	-1.2481988282	-0.050299
+C	-3.1458506712	 0.7785557014	-1.2170787694	-0.190105
+C	-2.547747199	-0.101553032	-0.1025205117	-0.369683
+C	-1.0954808789	-0.0472751531	-0.0418392676	 0.073978
+C	 0.1106755607	 0.0199628539	-0.018265886	 0.056884
+C	 1.5475253227	 0.0664514731	 0.049914478	 0.023034
+O	 2.2508860394	 0.7241892845	-0.6827411859	-0.230128
+H	-7.0242950558	 1.8840714101	-1.4879367574	 0.104578
+H	-6.7947253196	 2.1853402279	-3.2318198751	 0.130881
+H	-6.9259369822	 0.5126358009	-2.6240355856	 0.104576
+H	-5.08975072	 1.0141608564	-0.2785243458	 0.08465
+H	-4.9914927638	-0.349376311	-1.4083302047	 0.084658
+H	-2.7475942633	 0.4676424259	-2.1876148798	 0.127789
+H	-2.845103229	 1.819899385	-1.0675199382	 0.127791
+H	-2.9533033443	 0.2002116165	 0.8729315993	 0.143285
+H	-2.8564572492	-1.1466052542	-0.2425337816	 0.143281
+H	 1.982839232	-0.5662655008	 0.8506519908	 0.096372
+19
+0 6090	6.6006458	0.400918	0.3815229	2.9762	84.92	-0.2631	-0.05774	0.20536	2686.7824	0.153761	-422.530816	-422.519688	-422.518744	-422.570166	36.25
+O	 2.2622790293	 2.9100473492	 1.8707651921	-0.420601
+C	 1.0537027241	 2.3166477432	 2.3185465071	-0.08144
+C	 0.1564867136	 2.1169095663	 1.1036679402	-0.163596
+C	-1.1873978657	 1.4780445452	 1.4593378755	-0.180903
+C	-2.0831680476	 1.2839752467	 0.2185985021	-0.369791
+C	-3.3704269725	 0.6782167822	 0.5220435926	 0.074318
+C	-4.4287775435	 0.1735081118	 0.8148696271	 0.05491
+C	-5.7019369246	-0.4261098601	 1.1139400679	 0.022335
+O	-6.0691942044	-0.7462593208	 2.2218778554	-0.231999
+H	 2.834150839	 3.0412224742	 2.6325417984	 0.287559
+H	 1.2405658534	 1.3454258944	 2.805403583	 0.088053
+H	 0.5423741808	 2.9566486527	 3.0561975036	 0.088084
+H	-0.0007157106	 3.0915933447	 0.6251777153	 0.108438
+H	 0.6923894464	 1.4948349436	 0.3759926408	 0.108479
+H	-1.031150499	 0.5042478056	 1.937683227	 0.116397
+H	-1.7228090333	 2.0981029298	 2.1876092539	 0.116455
+H	-2.2524363091	 2.2517823622	-0.2724250399	 0.143509
+H	-1.5625832064	 0.6621442986	-0.5221286011	 0.143392
+H	-6.3490454097	-0.5811137395	 0.2261750488	 0.0964
+19
+0 6091	4.8526425	0.6144525	0.6057902	1.7586	80.81	-0.2777	-0.03994	0.23776	1903.3518	0.1541	-422.549103	-422.538644	-422.5377	-422.585945	35.963
+C	-4.048499356	-1.7573971661	-0.0764140722	-0.379359
+C	-2.9838185862	-1.1774171107	 0.858615164	-0.171256
+C	-1.8535595215	-0.4691269659	 0.102482367	-0.179377
+C	-0.8074897734	 0.1061943006	 1.0500408978	-0.079058
+O	 0.211040654	 0.8429311637	 0.3345944567	-0.235552
+C	 1.2368298393	 0.1219430048	-0.1467382785	 0.294801
+O	 1.3711020115	-1.0712083814	-0.0264549097	-0.358467
+C	 2.1814736145	 0.9751450957	-0.8368302604	 0.230571
+C	 2.9986557723	 1.6327289651	-1.4225577148	-0.36543
+H	-4.840136457	-2.2606085351	 0.4869433812	 0.114627
+H	-4.5157920665	-0.9714492516	-0.6797545921	 0.116393
+H	-3.6123183399	-2.4884109221	-0.7656363889	 0.120252
+H	-3.4542527237	-0.4728073573	 1.5573220022	 0.097246
+H	-2.5602155757	-1.9810639182	 1.474657093	 0.104877
+H	-1.3632510101	-1.1736438714	-0.5783605249	 0.122165
+H	-2.2629354544	 0.3427433191	-0.5111290596	 0.105654
+H	-1.2471546915	 0.84185404	 1.7281578329	 0.115492
+H	-0.3281906431	-0.6843344153	 1.6329303599	 0.133973
+H	 3.7213018976	 2.2150197961	-1.9405206835	 0.212449
+19
+0 6092	3.4722565	0.6920147	0.585431	3.0207	79.8	-0.26542	-0.06073	0.20468999999999998	1781.139	0.152506	-422.517325	-422.506405	-422.505461	-422.556039	36.532
+C	 0.8474974591	-0.691341272	-0.5306335941	-0.383785
+C	 1.4406234427	 0.2341544147	 0.5344207447	-0.185184
+C	 1.6180258386	 1.6586539992	 0.0294570738	-0.034111
+O	 2.1685770346	 2.4451061278	 1.0701579599	-0.242409
+C	 2.3735454376	 3.7801533797	 0.7096766756	-0.158358
+C	 2.9669527306	 4.5803537895	 1.8653153138	 0.197337
+O	 3.2121428583	 5.7592041138	 1.7344776924	-0.279943
+C	 3.2193313096	 3.8754284971	 3.1064125156	 0.334856
+C	 3.4487902114	 3.3397183605	 4.1593475076	-0.46624
+H	 0.7298546438	-1.7076121188	-0.144366048	 0.120113
+H	-0.138995991	-0.344611166	-0.8576088775	 0.118017
+H	 1.4900040576	-0.7455630175	-1.4163813811	 0.118017
+H	 0.7968312607	 0.2577072482	 1.4209007623	 0.110253
+H	 2.4156291008	-0.1407292005	 0.8656246859	 0.110252
+H	 2.2830190354	 1.6767974423	-0.8512636534	 0.08899
+H	 0.6490071873	 2.0789784234	-0.2907676615	 0.088991
+H	 3.0652404493	 3.8787825281	-0.1443512547	 0.12317
+H	 1.4350881603	 4.280058561	 0.4148507094	 0.123171
+H	 3.6493073232	 2.8611257495	 5.0869722193	 0.216862
+19
+0 6093	5.507838	0.5601056	0.5149021	1.8301	80.99	-0.25572	-0.05846	0.19726	2098.4518	0.152618	-422.523797	-422.512965	-422.51202	-422.561349	36.558
+C	 0.3873818824	-4.0319273472	-1.7813580884	-0.38561
+C	-0.7140693659	-3.0801745096	-1.3473574623	-0.030722
+O	-0.1541680963	-2.0997267416	-0.4959644923	-0.250595
+C	-1.1002184876	-1.161680111	-0.0350923819	-0.061696
+C	-0.3680687645	-0.1743814731	 0.8626147172	-0.31689
+C	-1.2771972606	 0.8961917295	 1.4291721364	 0.227189
+O	-2.4646134501	 0.9564529954	 1.1892491141	-0.291485
+C	-0.6283950231	 1.8683003918	 2.2961954242	 0.243156
+C	-0.0747676842	 2.6633159184	 3.0105069869	-0.381555
+H	 0.838323664	-4.5194083326	-0.9122787922	 0.126123
+H	-0.0154348624	-4.8045187947	-2.4430080437	 0.11561
+H	 1.173292611	-3.4914042786	-2.3165798836	 0.126121
+H	-1.1794383254	-2.5992697618	-2.2244535504	 0.087514
+H	-1.514390166	-3.6270843128	-0.820562622	 0.087513
+H	-1.5752552864	-0.6319832374	-0.8755317518	 0.102679
+H	-1.9094864537	-1.6567022334	 0.5240358679	 0.102663
+H	 0.1172412619	-0.6995449641	 1.6952797281	 0.142571
+H	 0.4474735668	 0.3126122946	 0.3127095037	 0.142585
+H	 0.39763183	 3.3750893182	 3.64326801	 0.214829
+19
+0 6094	3.5819738	0.6186988	0.5516278	3.1284	80.34	-0.25921	-0.05824	0.20096999999999998	1977.0367	0.153124	-422.518185	-422.50737	-422.506426	-422.556024	36.262
+C	 1.3045154535	 0.0950147578	-0.2105221468	-0.22945
+O	-0.088509688	 0.2179771531	-0.0533944686	-0.230541
+C	-0.4611190101	 0.6389730617	 1.238320197	-0.046268
+C	-1.9817009911	 0.7140024859	 1.2973062776	-0.209833
+C	-2.4809139636	 1.1699021351	 2.6792391988	-0.306695
+C	-3.9941966307	 1.2764306903	 2.7443351635	 0.254468
+O	-4.678178857	 0.5789064492	 3.4606023676	-0.276336
+C	-4.5944723083	 2.2836562909	 1.8794785952	 0.282035
+C	-5.085084155	 3.123517564	 1.1700096391	-0.459161
+H	 1.7309225172	-0.6454192465	 0.4850051868	 0.104568
+H	 1.4905386084	-0.2356474392	-1.2351542107	 0.1287
+H	 1.8216088278	 1.0541873911	-0.0472085906	 0.1034
+H	-0.0804056666	-0.0647871239	 1.9994725034	 0.087727
+H	-0.0201682488	 1.6260107346	 1.4664758246	 0.084425
+H	-2.3315413472	 1.4047527493	 0.5233145408	 0.125131
+H	-2.39352561	-0.2723927079	 1.0575850105	 0.12275
+H	-2.1758926768	 0.4685021413	 3.4611695361	 0.1251
+H	-2.0571189195	 2.1556143506	 2.9137464166	 0.12179
+H	-5.5339026743	 3.8592208527	 0.5474588292	 0.218189
+19
+0 6095	3.5563466	0.5847742	0.525943	3.3964	79.46	-0.25977	-0.05959	0.20018	2026.1916	0.153586	-422.532418	-422.521604	-422.52066	-422.570319	36.752
+O	-2.2122676705	 0.7083082708	 2.9021194649	-0.416223
+C	-1.8334600142	-0.4657672674	 2.2033215279	-0.060273
+C	-0.3408656189	-0.5055672422	 1.8695413726	-0.195596
+C	 0.0521157982	-1.7450777209	 1.0591333068	-0.195681
+C	 1.5558798787	-1.7800415842	 0.7266081769	-0.302358
+C	 1.9469258491	-3.018722952	-0.058383321	 0.253612
+O	 2.3310569227	-2.9850456659	-1.2069478428	-0.276709
+C	 1.8238079103	-4.2835800676	 0.6558636576	 0.280699
+C	 1.7296459084	-5.3244725616	 1.2536332332	-0.460969
+H	-1.7523616355	 0.7090865746	 3.7475985235	 0.280636
+H	-2.11736048	-1.3740493532	 2.7602008892	 0.086443
+H	-2.4225761594	-0.4613302317	 1.2794044904	 0.114544
+H	-0.0813424451	 0.4071036595	 1.3198928799	 0.112474
+H	 0.2374781814	-0.4825048281	 2.8048933743	 0.087177
+H	-0.2168346336	-2.6525517958	 1.6133080613	 0.113893
+H	-0.5209408156	-1.7700034772	 0.12366216	 0.115693
+H	 1.8418077607	-0.9123643981	 0.1254046694	 0.125592
+H	 2.1333907123	-1.7621383824	 1.6600371956	 0.119269
+H	 1.6515868609	-6.2530398066	 1.7654230502	 0.217778
diff --git a/example-data/QMML/dsgdb7ae.xyz b/example-data/QMML/dsgdb7ae.xyz
old mode 100644
new mode 100755
diff --git a/example-data/QMML/dsgdb7njp.xyz b/example-data/QMML/dsgdb7njp.xyz
new file mode 100755
index 0000000..ca9820c
--- /dev/null
+++ b/example-data/QMML/dsgdb7njp.xyz
@@ -0,0 +1,132812 @@
+5
+-420.9337343048892 2.534576 2.43222 -14.1341 -10.9488 -16.013 1.087 0.1323 4.162 15.72523 -3.98613 36.7680730972 39.6946262426 0.621841405
+C      0.99813803     -0.00263872     -0.00464602
+H      2.09441750     -0.00242373      0.00417336
+H      0.63238996      1.03082951      0.00417296
+H      0.62561232     -0.52974905      0.88151021
+H      0.64010219     -0.50924801     -0.90858051 
+
+8
+-718.4191786915518 4.332028 4.445 -12.5472 -9.5577 -13.549 1.1186 0.1452 3.684 13.41121 -3.49181 11.7174333146 22.62248556 0.62832842
+C      0.99566434     -0.00295079     -0.00645530
+C      2.52433599     -0.00704005      0.00062949
+H      0.59642533      1.02180902     -0.00238364
+H      0.58817563     -0.51880627      0.87523331
+H      0.59641749     -0.50854984     -0.89780318
+H      2.92359554      0.50116660      0.89048719
+H      2.93182660      0.50621547     -0.88257380
+H      2.92355907     -1.03181414     -0.00043407 
+
+6
+-570.0248559034032 4.173282 3.92308 -10.4383 -7.8768 -10.16 1.9456 -0.062 1.231 9.75211 -0.82042 7.1372664886 22.9406708318 0.709059588
+C      0.98946692      0.00007550      0.00000000
+C      2.32461012     -0.00013585      0.00000000
+H      0.41663940      0.92974933      0.00000000
+H      0.41634287     -0.92941467      0.00000000
+H      2.89773268      0.92935495      0.00000000
+H      2.89743801     -0.92980927      0.00000000 
+
+4
+-410.2861527671238 3.512394 3.32175 -11.1629 -8.4021 -10.706 1.1958 0.4143 2.145 10.46577 -1.89847 4.6241074644 15.973798303 2.22847974
+C      0.98972410      0.00000000      0.00000000
+C      2.20043588      0.00000000      0.00000000
+H     -0.08202857      0.00000000      0.00000000
+H      3.27218859      0.00000000      0.00000000 
+
+9
+-868.8554219717826 5.48016 5.78632 -10.8132 -8.3534 -12.365 1.2002 0.269 3.825 11.96491 -3.57487 10.3116552494 17.9005159458 0.556173673
+C     -0.02685201      0.87078057     -0.05692871
+C     -0.73928196     -0.46068850     -0.05716072
+C      0.76666931     -0.41017260      0.04288779
+H      0.01672181      1.42791936     -0.99323318
+H     -0.10696079      1.49356439      0.83453787
+H     -1.17833564     -0.80568159     -0.99374138
+H     -1.30207225     -0.73988932      0.83406126
+H      1.22416472     -0.65503779      1.00190446
+H      1.34779680     -0.72084452     -0.82587738 
+
+11
+-1017.3128026888861 6.170637 6.52733 -11.9831 -9.1147 -12.816 1.0778 0.1173 3.429 12.65897 -3.21095 10.9523777016 15.7693577876 0.538613954
+C      0.97845955     -0.02768979      0.00389766
+C      2.50774209      0.01819297      0.00831353
+C      3.05889059      1.44544974      0.00669378
+H      0.60211829     -1.06093922      0.00127122
+H      0.56966716      0.47973329     -0.88389480
+H      0.56477020      0.47699441      0.89098372
+H      2.89423058     -0.52569991     -0.86988889
+H      2.88881752     -0.52182571      0.89125798
+H      2.72423469      1.99802663     -0.88517904
+H      4.15845772      1.45737554      0.01421023
+H      2.71204162      2.00483205      0.88962461 
+
+9
+-872.6193544888124 6.094932 6.09119 -9.7903 -7.349 -9.562 1.0717 0.169 1.364 9.10045 -0.85739 6.710246306 6.710246306 0.429254796
+C      0.96797053     -0.01219310      0.03712852
+C      2.45732001      0.07634869      0.17261662
+C      3.20126278      1.13572502     -0.16570673
+H      0.67869402     -0.85110128     -0.61581754
+H      0.54471661      0.91181994     -0.38057026
+H      0.49232629     -0.19891972      1.01345648
+H      2.95758301     -0.80754447      0.58493744
+H      2.74826498      2.04015326     -0.58074711
+H      4.28498177      1.13572165     -0.04105743 
+
+7
+-716.9124468159916 5.535045 5.69181 -10.247 -7.6952 -9.925 0.9441 0.0425 2.38 9.58727 -2.0124 4.382719121 14.5559068056 1.445067417
+C      0.98318823      0.00302913      0.01438752
+C      2.43760578      0.00077500      0.00182832
+C      3.65128941     -0.00043559     -0.00398891
+H      0.59037348      1.03032089      0.02906828
+H      0.59576925     -0.51948910      0.90133246
+H      0.57943309     -0.49978425     -0.87673930
+H      4.72201076     -0.00130608     -0.00807838 
+
+8
+-736.3636885680488 4.984783 5.12326 -9.7026 -7.321 -11.109 1.1139 0.0897 3.573 10.47576 -3.37354 9.062384712 20.4384845686 0.380387308
+C     -0.05920440      0.87474790     -0.06163405
+C     -0.76054880     -0.43623157     -0.06104497
+N      0.71652180     -0.38332116     -0.10884352
+H     -0.01756435      1.46779128     -0.97780601
+H     -0.06928588      1.45695877      0.86320280
+H     -1.23099070     -0.80076026     -0.97679165
+H     -1.25002057     -0.75040924      0.86420328
+H      1.09557290     -0.58557574      0.82162412 
+
+10
+-889.7595853842677 5.760087 5.92003 -9.3504 -6.9276 -10.641 1.0384 -0.0011 3.6 10.04543 -3.37275 8.813420824 16.505574257 0.369474881
+C      0.99851568     -0.00462126      0.00528468
+C      2.52332056      0.01617598     -0.01385443
+N      3.01772873      1.40240938      0.03161740
+H      0.61728676     -1.03560805      0.01853973
+H      0.58694446      0.49012320     -0.88884712
+H      0.61763227      0.52532798      0.88954162
+H      2.88460715     -0.55996332     -0.89060400
+H      2.90788005     -0.50009589      0.88078080
+H      2.72754636      1.89770018     -0.81671631
+H      4.04047798      1.41093181      0.02678764 
+
+6
+-628.2557047925212 4.45756 4.66876 -12.0735 -9.4054 -12.005 0.7005 -0.2887 1.418 11.60198 -1.11074 5.3922255316 12.5138821828 0.849750889
+C      0.98647308     -0.00002291     -0.00000091
+C      2.44148072     -0.00000876      0.00000033
+N      3.60751248      0.00002109      0.00000640
+H      0.60763620      1.03029421      0.01179759
+H      0.60759942     -0.52535096      0.88638192
+H      0.60758811     -0.50493268     -0.89816533 
+
+10
+-881.9058743094852 5.804944 5.91386 -8.8174 -6.4807 -10.093 1.0623 0.051 3.833 9.45197 -3.69332 8.2648695642 17.7342011254 0.400285049
+C      0.99473361     -0.01020972     -0.01877491
+N      2.45253321      0.02462639      0.04911034
+C      2.98026566      1.38421790     -0.01381381
+H      0.64860759     -1.05298966     -0.04235117
+H      0.56612260      0.52152103     -0.89604511
+H      0.57695153      0.45771185      0.88663649
+H      2.83753164     -0.52082428     -0.72456982
+H      2.67825786      1.93412560      0.89152731
+H      2.62901551      1.96967610     -0.89128121
+H      4.07871080      1.35601480     -0.03309812 
+
+7
+-667.8444091240374 4.309725 4.53616 -10.3916 -7.9787 -12.207 1.1432 0.1868 3.182 11.33609 -3.00351 9.2905065534 22.5044012936 0.969865629
+C     -0.11615305      0.89582221     -0.06281006
+C     -0.81009471     -0.40118034     -0.06316902
+O      0.62563398     -0.33518528      0.01255526
+H     -0.00902635      1.44795992     -1.00218591
+H     -0.10911202      1.50110455      0.84951253
+H     -1.20973989     -0.79640510     -1.00275757
+H     -1.30982796     -0.74328596      0.84895478 
+
+9
+-822.4877424020314 5.053622 5.29455 -10.4204 -7.918 -12.297 1.0274 -0.0441 3.316 11.73717 -3.10694 10.0555621664 16.8437212748 0.261603598
+C      0.98680622     -0.00556068      0.00384512
+C      2.50927358      0.01966334     -0.01547778
+O      3.05304559      1.34611733      0.02324657
+H      0.61774476     -1.04209472      0.02517547
+H      0.56972738      0.47651307     -0.89423471
+H      0.60027421      0.52068553      0.88771373
+H      2.89022911     -0.53230218     -0.89526213
+H      2.91144160     -0.47770691      0.87951913
+H      2.73168755      1.81986522     -0.76397539 
+
+7
+-691.7884400593227 4.584432 4.66253 -9.948 -7.564 -11.103 1.3801 -0.8793 -0.071 10.23465 0.60414 3.6771395922 18.476021762 0.432603359
+C      0.99247987      0.01741937     -0.01355008
+C      2.49414341      0.06610944      0.00915377
+O      3.17309403      0.89062911     -0.57434571
+H      0.66535275     -0.96243285     -0.39615644
+H      0.57967416      0.82299921     -0.63114005
+H      0.60911841      0.09008858      1.01672297
+H      2.98212737     -0.73830286      0.62150554 
+
+9
+-810.4796555181408 5.116036 5.31348 -9.9342 -7.4877 -11.772 1.066 0.0787 3.563 11.08823 -3.44428 9.5156651294 19.4937484444 0.565780852
+C      0.98729036     -0.00489977      0.00422631
+O      2.40628482      0.01941219      0.00000800
+C      2.90288012      1.34890404     -0.00422560
+H      0.67992688     -1.05837153      0.00430684
+H      0.56972709      0.49412138     -0.89181424
+H      0.57522891      0.49273287      0.90359931
+H      3.99851510      1.28696524     -0.00431284
+H      2.57185326      1.90908978      0.89181076
+H      2.57131345      1.90342581     -0.90359854 
+
+12
+-1168.8906364014688 7.280778 7.72682 -10.998 -8.5616 -12.282 1.0928 0.1531 3.314 12.06392 -3.14312 10.609977964 14.63530744 0.499724581
+C      0.34153625      1.03857962     -0.09372648
+C      1.01486254     -0.33510713      0.17613063
+C     -0.33739712     -1.01387267     -0.17610970
+C     -1.03666848      0.34678097      0.09370222
+H      0.59452012      1.87967860      0.56690688
+H      0.48861590      1.35500735     -1.13748229
+H      1.25482289     -0.45728386      1.24319677
+H      1.90081240     -0.60437811     -0.41588935
+H     -0.38267652     -1.27933338     -1.24318636
+H     -0.65076215     -1.88523276      0.41587614
+H     -1.86226272      0.64633799     -0.56696828
+H     -1.37831311      0.41786337      1.13743982 
+
+12
+-1169.3745639426397 7.351207 7.96732 -10.257 -7.8692 -11.468 1.0987 0.1994 3.413 11.14079 -3.11772 9.4912398874 11.459220071 0.372736657
+C      1.00830484      0.00711468     -0.07133905
+C      2.51625940     -0.06194947      0.00735422
+C      3.30600801     -0.73146853     -1.09255786
+C      3.36606231      0.77151100     -0.92269603
+H      0.61362586      0.85320471      0.51210278
+H      0.54309530     -0.91373668      0.31306051
+H      0.67601273      0.13757955     -1.11260087
+H      2.91607814     -0.19203053      1.01705448
+H      2.74768497     -1.12222934     -1.94536411
+H      4.18589975     -1.31651467     -0.82273057
+H      4.28700730      1.21036876     -0.53724307
+H      2.84795139      1.38516054     -1.66209043 
+
+14
+-1316.176888192253 8.02693 8.76159 -11.7457 -8.9615 -12.564 1.0594 0.1239 3.271 12.40705 -3.04713 10.6746490616 15.6309646144 0.529282652
+C      0.95639262     -0.07346266      0.00118236
+C      2.48371193      0.00778067     -0.00386041
+C      3.01367094      1.44456330      0.01515929
+C      4.54100360      1.52573544      0.01009677
+H      0.60520325     -1.11530998     -0.01271911
+H      0.52921178      0.43481182     -0.87725104
+H      0.53647907      0.40867267      0.89768087
+H      2.88026883     -0.51082700     -0.89450044
+H      2.88742000     -0.53678977      0.86786838
+H      2.61717450      1.96318352      0.90581339
+H      2.60995944      1.98914980     -0.85655901
+H      4.96815948      1.01751471      0.88858078
+H      4.89226886      2.56755766      0.02388590
+H      4.96087569      1.04347983     -0.88635773 
+
+14
+-1316.9514041685295 8.009455 8.58759 -11.6376 -8.9597 -12.657 0.9984 0.0479 3.191 12.42961 -2.93099 10.7340011598 15.3774504402 0.421447313
+C      0.97964482     -0.01169469      0.00638349
+C      2.51253780      0.01164099     -0.01159439
+C      3.06181110     -0.75617544     -1.21961844
+C      3.04263670      1.44999610      0.01511682
+H      0.58034233      0.51014802      0.88907598
+H      0.59377959     -1.04215183      0.01977554
+H      0.57203289      0.48611689     -0.88887711
+H      2.86914417     -0.49711494      0.90298336
+H      2.73256492     -0.28735337     -2.16157028
+H      2.71117932     -1.79921515     -1.22587419
+H      4.16214340     -0.76956514     -1.22056606
+H      2.71364642      2.00304552     -0.88007371
+H      4.14263935      1.47232373      0.03536037
+H      2.67729721      1.99639933      0.89765861 
+
+10
+-1030.3787852977014 8.562859 7.93143 -8.9363 -6.7951 -8.677 0.7021 -1.01 0.226 8.24319 0.24469 5.3150814424 5.3150814424 0.818747738
+C      0.91259776     -0.16539164      0.23387659
+C      2.13174998      0.09712831     -0.27297412
+C      2.76798781      1.40282460     -0.23954322
+C      3.98711724      1.66556601     -0.74632123
+H      0.47659499     -1.16317260      0.18476899
+H      0.31767440      0.61591528      0.71308060
+H      2.70135279     -0.71048777     -0.74684906
+H      2.19827266      2.21034414      0.23435676
+H      4.58225475      0.88446259     -1.22558337
+H      4.42287762      2.66345108     -0.69708194 
+
+8
+-871.4162307928073 7.770683 7.48844 -9.439 -7.1701 -8.955 0.6052 -1.1543 0.428 8.59068 0.03933 4.0762629248 14.3818676574 0.817528483
+C      0.94191728     -0.03829793      0.00000000
+C      2.28602450      0.04223430      0.00000000
+C      3.02070954      1.25580523      0.00000000
+C      3.68967694      2.27300896      0.00000000
+H      0.44284395     -1.00705193      0.00000000
+H      0.31933240      0.85701584      0.00000000
+H      2.88116088     -0.87700867      0.00000000
+H      4.26974451      3.17301419      0.00000000 
+
+6
+-715.3818041316641 7.518621 7.10162 -9.9102 -7.6444 -9.24 0.8388 -1.0544 0.797 8.9547 -0.48781 3.3530897826 14.819674622 3.075847003
+C      0.97420860      0.00000000      0.00000000
+C      2.19395461      0.00000000      0.00000000
+C      3.55444881      0.00000000      0.00000000
+C      4.77419477      0.00000000      0.00000000
+H     -0.09641476      0.00000000      0.00000000
+H      5.84481796      0.00000000      0.00000000 
+
+12
+-1174.5293417175512 8.069913 8.48143 -9.2259 -6.8844 -9.047 1.0504 0.1885 1.465 8.57931 -0.87935 6.3306383698 6.3306383698 0.407044577
+C      0.93796057     -0.01561015      0.03648973
+C      2.43300816      0.03283871      0.12976908
+C      3.18892263      1.10945434     -0.12583363
+C      4.68414524      1.15878815     -0.03717005
+H      0.60828620     -0.77805254     -0.68810584
+H      0.52131482      0.95306027     -0.27485230
+H      0.48394163     -0.28912154      1.00285696
+H      2.93246715     -0.89693336      0.43146271
+H      2.68830636      2.03842740     -0.42768002
+H      5.10286949      0.18917663      0.26790370
+H      5.01695675      1.91890782      0.68824302
+H      5.13253099      1.43559427     -1.00556333 
+
+12
+-1175.0407529943998 7.973585 8.19979 -9.3339 -7.0215 -9.171 0.9536 0.0287 1.456 8.60509 -0.86896 6.428798086 6.428798086 0.411690217
+C      1.01190289     -0.00886876     -0.17003894
+C      2.50403272      0.03885037      0.02515938
+C      3.20706458     -1.29232387      0.00641978
+C      3.16481714      1.19272892      0.20545074
+H      0.56299764      0.99236804     -0.14617258
+H      0.53409945     -0.62242526      0.61143821
+H      0.75764627     -0.48022259     -1.13372185
+H      2.81036693     -1.95544695      0.79288703
+H      4.28950213     -1.18697964      0.15764545
+H      3.03882715     -1.81171915     -0.95145006
+H      2.64346764      2.15198801      0.21815304
+H      4.24756544      1.21205087      0.34575979 
+
+10
+-1022.2052236705812 7.643979 8.47568 -9.5498 -7.0972 -9.269 0.9003 0.0256 2.567 8.88976 -2.09794 4.1617264746 13.9095429904 1.618089804
+C      0.97502486     -0.00001801     -0.00001133
+C      2.43117054     -0.00004721     -0.00000752
+C      3.64699165     -0.00004721      0.00000751
+C      5.10313540     -0.00001801      0.00001133
+H      0.57588030      1.02558105      0.01165187
+H      0.57579851     -0.52284569      0.88234334
+H      0.57577890     -0.50267015     -0.89400153
+H      5.50227888      1.02558127     -0.01165187
+H      5.50236068     -0.52284580     -0.88234353
+H      5.50238028     -0.50267025      0.89400172 
+
+12
+-1171.1453729719244 7.997701 8.29777 -9.6898 -7.3524 -9.514 1.312 0.0341 1.381 9.0094 -0.84282 6.688176798 6.688176798 0.440384309
+C      0.90765567     -0.13966479     -0.11614025
+C      2.41357736      0.04498031      0.12602122
+C      2.83482543      1.48553983      0.10032148
+C      3.41475649      2.14198825      1.11169985
+H      0.63877567     -1.20545304     -0.13345943
+H      0.60352785      0.29890102     -1.07840891
+H      0.32024478      0.34940414      0.67416231
+H      2.96737657     -0.50418276     -0.65618738
+H      2.70021444     -0.40545596      1.08990237
+H      2.62953279      2.02524831     -0.83280063
+H      3.63436849      1.64468711      2.06047559
+H      3.69202446      3.19394757      1.02873378 
+
+10
+-1015.3614058015684 7.431522 7.90333 -10.0822 -7.634 -9.848 0.9965 -0.0032 2.381 9.488 -1.99388 4.366724927 10.67395474 0.768649303
+C      0.97382538     -0.07122743      0.00300771
+C      2.51043398      0.00060804     -0.00009512
+C      3.02304761      1.36632895      0.00002194
+C      3.42800722      2.51111928      0.00010751
+H      0.64208449     -1.11860841      0.00259774
+H      0.55800430      0.42480393     -0.88402436
+H      0.56167771      0.42294119      0.89279042
+H      2.90685379     -0.52899041     -0.88233316
+H      2.91048551     -0.53053028      0.87957452
+H      3.78859001      3.51922514      0.00016280 
+
+11
+-1037.0482286572067 6.812681 7.10065 -8.9137 -6.5953 -10.254 1.0454 0.0587 3.458 9.61627 -3.25747 8.480456421 15.0511068896 0.276200966
+C      0.35971598      1.11748061      0.08314934
+C      1.00493294     -0.28776219      0.01018802
+N     -0.31675370     -0.87230847      0.37415880
+C     -0.99203517      0.37917104     -0.07168961
+H      0.47009825      1.56993294      1.07677329
+H      0.63451014      1.84541854     -0.68914708
+H      1.81839580     -0.52153086      0.71448433
+H      1.33922639     -0.52791710     -1.01714726
+H     -0.57585484     -1.71238509     -0.14875842
+H     -1.32681505      0.36248541     -1.12645321
+H     -1.83217073      0.69767518      0.56479180 
+
+11
+-1038.8326648333823 6.871757 7.32674 -9.4977 -7.2323 -11.022 1.0285 0.0501 3.288 10.36341 -3.01842 8.920296756 11.7049851202 0.236132268
+C      0.98909835     -0.01720793     -0.04517693
+C      2.49420109     -0.09991398      0.00438007
+C      3.28601456     -0.72566762     -1.08907263
+N      3.23164365      0.75027181     -0.95872717
+H      0.62270483      0.85063222      0.52333892
+H      0.53124630     -0.92277830      0.38060235
+H      0.64825531      0.09153199     -1.08393939
+H      2.92246582     -0.19130256      1.00933167
+H      2.76649765     -1.11949691     -1.96683142
+H      4.21012360     -1.24796736     -0.82816295
+H      4.10072883      1.08471866     -0.53085251 
+
+13
+-1188.5126977141576 7.587945 8.10678 -9.2934 -6.9194 -10.634 1.0258 0.0257 3.357 10.01276 -3.12205 8.7732989544 15.879258978 0.297968621
+C      0.96954145     -0.04207506     -0.00553569
+C      2.49719467      0.02022903      0.00628201
+C      3.03839212      1.44915104      0.03830518
+N      4.50937393      1.45079606     -0.00118214
+H      0.61300090     -1.08170442     -0.01826812
+H      0.55645402      0.46123145     -0.89323743
+H      0.53937964      0.44581631      0.88268965
+H      2.91141857     -0.48841668     -0.87877545
+H      2.88164660     -0.52664600      0.88572794
+H      2.61009891      1.97513697      0.91795552
+H      2.68056936      1.98999817     -0.85426855
+H      4.87563745      1.02190686      0.85366893
+H      4.85880237      2.41179628     -0.00572184 
+
+7
+-780.3298576243725 6.435665 6.36061 -10.708 -8.4238 -10.26 0.0886 -1.866 -0.331 9.86647 0.7284 5.0528138566 15.0473625124 0.698982927
+C      0.96360713     -0.00768158      0.00000000
+C      2.30576819      0.02950685      0.00000000
+C      3.05315872      1.24357002      0.00000000
+N      3.69650294      2.22043193      0.00000000
+H      0.43672497     -0.96093907      0.00000000
+H      0.36821980      0.90518446      0.00000000
+H      2.89794825     -0.88854263      0.00000000 
+
+5
+-619.7770148982823 6.147521 5.96463 -11.3629 -8.9771 -10.69 0.2766 -1.8218 -0.11 10.37225 0.34727 3.7894833068 16.6767617272 1.690819441
+C      0.99694423      0.00000000      0.00000000
+C      2.21277709      0.00000000      0.00000000
+C      3.57887763      0.00000000      0.00000000
+N      4.75218280      0.00000000      0.00000000
+H     -0.07432175      0.00000000      0.00000000 
+
+13
+-1190.568862956633 7.596492 7.95413 -9.2172 -6.9414 -10.55 0.9514 -0.0514 3.278 9.91111 -3.02489 8.604566407 15.414497457 0.237639413
+C      0.99638417      0.01021423      0.00193398
+C      2.52526746      0.01360122     -0.02392087
+C      3.06712565     -0.76977631     -1.22865314
+N      2.99775239      1.40923883      0.05640523
+H      0.62449207      0.55017160      0.88287476
+H      0.60116044     -1.01517669      0.02187182
+H      0.59322722      0.50522691     -0.89722973
+H      2.88218904     -0.48298090      0.89620152
+H      2.72511370     -0.31477067     -2.17261057
+H      2.72664818     -1.81731796     -1.21695861
+H      4.16760544     -0.77489402     -1.23484964
+H      2.68587833      1.91717674     -0.77845301
+H      4.02100590      1.42808703      0.02684827 
+
+9
+-926.822344393413 6.293186 6.81112 -11.829 -9.2515 -11.859 0.7911 -0.319 1.469 11.43574 -1.11464 5.3845755954 13.9727634518 0.517920776
+C      0.97386084     -0.06067746      0.00351064
+C      2.51027596     -0.00411384     -0.00015209
+C      3.02519163      1.36307648      0.00016301
+N      3.42098765      2.46041726      0.00035735
+H      0.64010066     -1.10622254      0.00176005
+H      0.56174849      0.43756645     -0.88309846
+H      0.56614311      0.43319267      0.89458820
+H      2.91666976     -0.51891229     -0.88479273
+H      2.92097189     -0.52100673      0.88127403 
+
+13
+-1182.532815803463 7.691157 8.15133 -8.7331 -6.4665 -10.061 1.0365 0.0669 3.555 9.38484 -3.32335 8.2043767948 15.6175121334 0.216583733
+C      0.97235841     -0.06864246      0.01366674
+C      2.49550623     -0.01208342      0.00032950
+N      2.97544433      1.36954792     -0.03475670
+C      4.43122985      1.46456219      0.02262159
+H      0.61937681     -1.10922244     -0.00104556
+H      0.55747334      0.45511712     -0.85889642
+H      0.56597199      0.40644956      0.92048915
+H      2.87845779     -0.51829775     -0.90290001
+H      2.90007489     -0.58040844      0.86883194
+H      2.57318344      1.87782245      0.75738785
+H      4.86113109      1.03680413     -0.89669563
+H      4.89036383      0.93287664      0.88392856
+H      4.73224799      2.52049450      0.06785899 
+
+11
+-1030.844853269464 6.954118 7.27193 -9.0768 -6.8709 -10.548 1.0813 0.1585 3.613 9.89821 -3.36146 8.7027757176 12.4131559564 0.30450366
+C      1.13042194     -0.01720673     -0.08058734
+N      2.58515095     -0.10013365      0.01334320
+C      3.25077013     -0.73297472     -1.12906380
+C      3.32243113      0.74563700     -0.92992788
+H      0.77461394      0.81587245      0.54314618
+H      0.68955443     -0.94845381      0.30425328
+H      0.76494770      0.14082519     -1.11694740
+H      2.62193064     -1.09057067     -1.95222702
+H      4.10787716     -1.36575109     -0.88771546
+H      4.23261370      1.20788390     -0.54113936
+H      2.74105829      1.36583213     -1.62147439 
+
+13
+-1176.5881342600453 7.758274 7.99671 -8.3754 -6.2421 -9.705 1.0056 0.0232 3.655 8.98601 -3.49657 7.775100067 15.2607796142 0.438204052
+C      0.99926028      0.00316381     -0.00954979
+N      2.45692178      0.01746249     -0.02557804
+C      2.97434962     -0.71375726     -1.17569270
+C      2.96674125      1.38302198     -0.00176926
+H      0.63204576      0.51867192      0.88964002
+H      0.63774041     -1.03492722      0.01894915
+H      0.55047269      0.50084128     -0.90057909
+H      2.61536804     -1.75275853     -1.14816129
+H      4.07333538     -0.72994308     -1.14251143
+H      2.66472550     -0.26703625     -2.14915438
+H      2.60160417      1.90072501      0.89700365
+H      2.65716758      1.97758222     -0.89264867
+H      4.06569755      1.36917362      0.03351184 
+
+11
+-1043.0183587352433 6.931136 7.33912 -9.3536 -6.9994 -10.458 1.0347 0.0596 3.707 9.86959 -3.56839 8.6172377762 11.647492812 0.400874757
+N      1.03645061     -0.03827912     -0.15075160
+C      2.47373394     -0.07307926      0.01979074
+C      3.27053239     -0.75546983     -1.06443354
+C      3.29401217      0.75232881     -0.94083903
+H      0.63405950      0.74499349      0.37014441
+H      0.61277398     -0.89220617      0.22090639
+H      2.88050932     -0.16275468      1.03636077
+H      2.69780741     -1.17380560     -1.89229456
+H      4.15985258     -1.31670120     -0.77704298
+H      4.19985777      1.23095178     -0.56821544
+H      2.73660033      1.31734178     -1.68807518 
+
+11
+-1041.6371450087972 7.532805 7.66796 -9.3755 -6.9991 -9.631 1.1714 -0.1652 1.355 9.15167 -0.82588 6.7540629584 6.7540629584 0.431685023
+N      0.89522949     -0.11808492     -0.20517799
+C      2.32649505      0.02880409      0.13007304
+C      2.74855218      1.46892481      0.07974204
+C      3.31797630      2.13761679      1.08700203
+H      0.65358457     -1.11197573     -0.22780600
+H      0.73028091      0.23003458     -1.15435566
+H      2.99707903     -0.55102597     -0.54075454
+H      2.48175648     -0.35972143      1.14903524
+H      2.58153066      1.98273007     -0.87559800
+H      3.49621588      1.66219347      2.05507701
+H      3.62685944      3.17850425      0.98055282 
+
+9
+-885.0635743248774 6.981404 7.26011 -9.6751 -7.2431 -9.82 0.9297 -0.2174 2.348 9.51129 -1.96204 4.4013294196 10.9012706724 0.490122346
+N      0.97806547     -0.03936246      0.02147802
+C      2.45273294     -0.00199788     -0.01670349
+C      2.95541427      1.36866659      0.01031824
+C      3.37712602      2.50643166      0.00022227
+H      0.66901843     -1.01014450     -0.07072170
+H      0.60748690      0.46309859     -0.78931771
+H      2.90242982     -0.51016858     -0.89458760
+H      2.82779124     -0.53248311      0.87486225
+H      3.74573491      3.51182971      0.00258971 
+
+10
+-968.5530003120717 6.058154 6.47572 -9.5912 -7.2138 -11.476 1.0372 0.0794 3.191 10.90196 -3.00546 9.3887406612 15.7468667272 0.392692796
+C      0.35446348      1.07880893     -0.06110893
+C      0.97907408     -0.30670707      0.19335374
+O     -0.32738696     -0.95319044      0.14339207
+C     -0.99017900      0.34553669      0.10849008
+H      0.58241215      1.86254034      0.67133731
+H      0.52539464      1.46322959     -1.07416915
+H      1.44841736     -0.42529745      1.18590506
+H      1.65810314     -0.70008186     -0.57938592
+H     -1.70743168      0.41463121     -0.72444251
+H     -1.51308721      0.55555006      1.05821826 
+
+10
+-971.4451012466668 6.163483 6.69993 -10.0971 -7.8293 -12.022 1.0473 0.1328 2.969 11.13785 -2.73724 9.2523684598 11.3878537294 0.349770132
+C      0.97947744     -0.02058782     -0.05518206
+C      2.47171859     -0.18705497      0.04469402
+C      3.27663397     -0.75202405     -1.05142809
+O      3.28115927      0.66686208     -0.79528801
+H      0.65284354      0.88134021      0.48240013
+H      0.46607658     -0.88505763      0.39211474
+H      0.66732029      0.07012318     -1.10434352
+H      2.87156500     -0.29550673      1.06166922
+H      2.77466900     -1.05559744     -1.97723272
+H      4.21615633     -1.26980684     -0.82972371 
+
+12
+-1121.2299896718878 6.864247 7.42834 -10.2704 -7.8462 -12.169 1.0147 -0.0129 3.103 11.64668 -2.88212 9.952480206 14.9340145112 0.142051617
+C      0.97189843     -0.03265788     -0.00785599
+C      2.50171964      0.00728450      0.01298289
+C      3.04630959      1.43366989      0.03318078
+O      4.47693921      1.50173053      0.00091275
+H      0.60016279     -1.06643645     -0.01486661
+H      0.57285613      0.47039985     -0.90167717
+H      0.54536228      0.46877389      0.87425763
+H      2.91266266     -0.51372633     -0.86639904
+H      2.87422668     -0.53247261      0.90183883
+H      2.64576383      1.97691107      0.91137831
+H      2.71230031      1.97753213     -0.86427503
+H      4.81248845      1.04808141      0.79397266 
+
+8
+-847.3179688263709 6.510548 6.29995 -9.8341 -7.6508 -10.756 -0.0871 -2.0701 -0.988 9.84059 1.46575 3.3931496592 5.7645678882 0.579990064
+C      0.98104227     -0.02132361      0.02314864
+C      2.32254705     -0.00473977     -0.02870622
+C      3.06096798      1.26939400     -0.01393100
+O      4.27884408      1.36341217     -0.05784740
+H      0.40883473     -0.94927164      0.01440824
+H      0.41447129      0.91245063      0.07777618
+H      2.91893969     -0.91896302     -0.08319224
+H      2.41110292      2.18211124      0.04268380 
+
+12
+-1124.3377013195454 6.871774 7.35027 -10.2056 -7.8663 -12.16 0.962 -0.0604 3.064 11.5503 -2.82129 9.8595279018 15.2908462192 0.212151749
+C      0.97715808      0.00370460      0.00413165
+C      2.50441214      0.00295194     -0.02511745
+C      3.06637861     -0.74923067     -1.22996904
+O      3.02924924      1.34296396      0.04578515
+H      0.61001467      0.56312753      0.87500211
+H      0.58099579     -1.02139405      0.05472761
+H      0.57081574      0.47414593     -0.90644360
+H      2.87915601     -0.47002139      0.89783131
+H      2.71127914     -0.29742496     -2.17090521
+H      2.74683059     -1.80194290     -1.22453983
+H      4.16416436     -0.71770080     -1.22458508
+H      2.72844563      1.81532081     -0.75204761 
+
+10
+-997.5011050441734 6.35476 6.74966 -9.4485 -7.2766 -10.679 1.3817 -0.5916 0.236 9.73431 0.41796 3.742207445 16.0399324354 0.247732625
+C      0.98870488      0.02100563     -0.00777406
+C      2.50288943      0.04767470      0.00563311
+C      3.21567869     -1.29734814     -0.00338409
+O      3.13402804      1.09436236      0.02167242
+H      0.58642815      1.03959366     -0.00195952
+H      0.61607549     -0.53670600      0.86563530
+H      0.63133744     -0.52047915     -0.89770343
+H      2.52891720     -2.15252383      0.01788840
+H      3.89244997     -1.34813055      0.86086481
+H      3.84356070     -1.35877868     -0.90363294 
+
+10
+-990.1188233522711 6.376357 6.77144 -9.7532 -7.449 -10.988 1.145 -0.9213 -0.01 10.12206 0.58889 3.686227766 13.3550775984 0.247242407
+C      0.96669647     -0.03425002     -0.05462299
+C      2.49161977      0.03139219      0.10394617
+C      3.00885160      1.44671896      0.03553559
+O      3.74539537      1.96773097      0.85205697
+H      0.62605512     -1.07712703     -0.09472091
+H      0.63784189      0.46056731     -0.98061664
+H      0.45998307      0.45537256      0.78874972
+H      2.96733036     -0.51612746     -0.73038280
+H      2.83203321     -0.42529696      1.04354277
+H      2.65513314      2.02581947     -0.86079787 
+
+12
+-1112.4731548956163 7.003955 7.55628 -9.7535 -7.4133 -11.634 1.0587 0.0984 3.399 10.96116 -3.18422 9.422936 15.8032059656 0.186571824
+C      0.95445569     -0.08809039     -0.00101345
+C      2.46994309     -0.02494825     -0.01143103
+O      2.87389723      1.34282854      0.02721337
+C      4.28625437      1.47562491      0.01957801
+H      0.61835308     -1.13391771     -0.03076387
+H      0.53839199      0.43546073     -0.87269036
+H      0.55290885      0.38011752      0.90815354
+H      2.87675773     -0.50990113     -0.92285844
+H      2.89133266     -0.56464120      0.86180054
+H      4.51231024      2.54905873      0.05046348
+H      4.73169203      1.03932350     -0.89546783
+H      4.74664302      0.98446472      0.89869604 
+
+10
+-969.8473525640021 7.065553 7.13995 -8.8279 -6.5784 -9.42 0.9931 0.0821 1.254 9.00595 -0.79841 6.413423822 6.413423822 0.392772724
+C      0.98091743     -0.12928350      0.05179981
+O      2.37716341     -0.00405597     -0.23369199
+C      2.85142516      1.27814988     -0.20326882
+C      4.09661897      1.59414683     -0.57873543
+H      0.76351946     -1.20322737      0.07757865
+H      0.36993785      0.34655137     -0.73289005
+H      0.73251713      0.31419256      1.03042452
+H      2.14501275      2.03156371      0.16515847
+H      4.79170001      0.84030491     -0.94702388
+H      4.42796783      2.62734758     -0.50989128 
+
+10
+-974.1016412297545 6.210776 6.69822 -9.9525 -7.5922 -11.502 1.0611 0.0459 3.394 11.19957 -3.10134 9.2633164236 11.5095707856 0.219036502
+O      1.03519370     -0.08213794     -0.06462115
+C      2.44367431     -0.04962458      0.04098961
+C      3.19715400     -0.74847019     -1.04610134
+C      3.24661467      0.76702305     -0.94193824
+H      0.69417216      0.75666797      0.29359310
+H      2.82959948     -0.13897723      1.06290604
+H      2.59354109     -1.16521066     -1.85250239
+H      4.08121844     -1.32693974     -0.77834320
+H      4.16543990      1.24337184     -0.59756617
+H      2.68265225      1.32628748     -1.68913626 
+
+6
+-683.0580356042997 5.906678 5.91305 -10.472 -8.2639 -11.093 -0.253 -2.3876 -0.956 10.18545 1.44767 3.492189676 15.8412076746 1.290842867
+O      0.93625128     -0.08141965      0.00002974
+C      2.15588189     -0.00396005     -0.00005177
+C      2.88511485      1.24265922     -0.00002366
+C      3.55029026      2.26088778     -0.00000138
+H      2.80245547     -0.91331116      0.00002804
+H      4.11582625      3.17183385      0.00001903 
+
+10
+-974.5451880230589 6.847734 7.04071 -9.9339 -7.5577 -9.762 1.2112 -0.3199 1.259 9.27469 -0.74467 6.780298396 6.780298396 0.431226023
+O      0.94129915     -0.09779321     -0.27243923
+C      2.32226039     -0.02191080      0.12332658
+C      2.75713175      1.40922452      0.06871581
+C      3.35979450      2.05111936      1.07428090
+H      0.72063290     -1.03625354     -0.39775560
+H      2.95020545     -0.61585986     -0.56987691
+H      2.47182740     -0.42349376      1.14300199
+H      2.56573206      1.92208969     -0.87963490
+H      3.54589669      1.55960630      2.03276196
+H      3.69275973      3.08495130      0.97404939 
+
+8
+-815.6054140365251 6.312589 6.65717 -10.2536 -7.7067 -9.953 0.9398 -0.3903 2.261 9.87551 -1.87869 4.414211565 14.8621522256 0.88982292
+O      0.96153222     -0.02664731     -0.01155655
+C      2.39735992     -0.00920734     -0.00009292
+C      2.87387664      1.36736970     -0.00024467
+C      3.30837483      2.49951094      0.00000092
+H      0.68771311     -0.96030002     -0.01105517
+H      2.80922894     -0.52669391     -0.88729163
+H      2.79491488     -0.52153250      0.89658087
+H      3.68594947      3.50163045      0.00015915 
+
+9
+-836.6785797051283 6.327468 6.35349 -9.7038 -7.4287 -10.67 1.8301 -0.1276 0.459 10.24125 0.08473 5.4998825754 13.403010586 0.321490238
+C      0.99893264      0.00591025     -0.01817013
+C      2.47484389      0.09434526      0.18110833
+N      3.11931588      1.10597060     -0.27147222
+O      4.50591117      0.99527452      0.01902006
+H      0.73771660     -0.90203601     -0.58353468
+H      0.62984172      0.88304374     -0.56336593
+H      0.47811521     -0.05905522      0.94963273
+H      3.00229878     -0.70978999      0.71478733
+H      4.85542411      1.81589685     -0.37237549 
+
+9
+-890.0317547460911 5.91858 6.10972 -9.5418 -7.4004 -10.875 0.7323 -0.2959 0.5 9.79962 0.0708 4.3523673482 16.9157447422 0.217785922
+C      1.00658565     -0.01870424     -0.00550343
+C      2.52712502      0.03794572     -0.00164585
+N      3.14941722     -1.18725950      0.00391046
+O      3.16170137      1.08938643     -0.00381882
+H      0.61876474      1.00419230      0.00764230
+H      0.63030304     -0.56038376      0.87419234
+H      0.63672879     -0.53375172     -0.90381045
+H      2.63478923     -2.05964430      0.00283639
+H      4.16382494     -1.21059093      0.00238705 
+
+9
+-878.2343627027244 6.028808 6.18414 -9.7205 -7.5353 -10.739 0.8077 -0.1388 0.351 10.0207 0.16892 4.354140348 16.3506909458 0.294465169
+C      0.99090357     -0.01162931      0.03736642
+N      2.43431294      0.07427850      0.16310251
+C      3.17783181      1.17909053     -0.13947423
+O      4.39536934      1.26067874     -0.03245940
+H      0.69171535     -0.79567594     -0.67445054
+H      0.61432171      0.94935456     -0.33699366
+H      0.51101163     -0.21159122      1.00716504
+H      2.95577410     -0.73096131      0.50535985
+H      2.53926954      2.01984545     -0.50431599 
+
+9
+-822.0290955030067 6.432679 6.33672 -9.5867 -7.4178 -10.874 1.4828 -0.5344 0.307 10.49639 0.16954 5.338031251 6.6179511276 0.31593753
+C      0.93670895     -0.33768344      0.03248275
+O      2.32883092     -0.09131120     -0.20889929
+N      2.52599484      1.29436110     -0.33645856
+C      3.75821915      1.57064042     -0.55427167
+H      0.84793031     -1.42694813      0.12246452
+H      0.32290393      0.02115719     -0.80695828
+H      0.60841036      0.14428164      0.96527760
+H      3.99843215      2.62783737     -0.66614787
+H      4.54125939      0.80702505     -0.62775920 
+
+11
+-993.0281411272123 6.429806 6.80285 -9.5873 -7.1545 -10.818 0.9783 -0.0633 3.236 10.21538 -2.99851 8.7231094216 15.1075453168 0.181912667
+N      0.96641803      0.04831872      0.00356170
+C      2.43500757     -0.00683671     -0.03400871
+C      3.00766871      1.41094037      0.02158506
+O      4.43733405      1.43550072     -0.04936451
+H      0.58192582     -0.89185086      0.11184287
+H      0.60839669      0.39983689     -0.88841208
+H      2.86232594     -0.52194442     -0.91681142
+H      2.77377657     -0.56224272      0.85739074
+H      2.62990928      1.92380267      0.92395067
+H      2.66231217      1.98746870     -0.85175184
+H      4.78147517      1.06417665      0.78164753 
+
+15
+-1487.1941229236359 8.948622 9.61933 -11.4004 -8.7081 -12.307 0.9975 0.048 3.334 12.16509 -3.07748 10.508371437 11.571303415 0.160410843
+C     -0.79084780     -0.99994886     -0.19535847
+C     -1.18531508      0.41074253      0.26723960
+C     -0.00486674      1.27005142     -0.20969191
+C      1.23957376      0.39547358      0.07088815
+C      0.73087858     -1.07837980      0.07326403
+H     -1.35375476     -1.79711173      0.31134890
+H     -0.99028734     -1.09689848     -1.27553588
+H     -1.25295723      0.44145359      1.36844536
+H     -2.15430036      0.74356701     -0.13266442
+H     -0.10297609      1.45321654     -1.29270813
+H      0.04563224      2.25206531      0.28246723
+H      2.03134724      0.56134387     -0.67348432
+H      1.66943755      0.65035727      1.05132815
+H      1.24514203     -1.69658945     -0.67631007
+H      0.92146399     -1.54479279      1.05152178 
+
+15
+-1469.788936482156 9.254424 10.28515 -9.8906 -7.5929 -11.039 1.0364 0.1704 3.297 10.68272 -3.06262 9.1022214138 11.1081413134 0.250499554
+C      1.00794777      0.00143591     -0.06116905
+C      2.51929900     -0.00356813     -0.02089022
+C      3.31122606     -0.70556320     -1.10418495
+C      3.32639436      0.80572654     -1.00955071
+C      4.58156856      1.53131967     -0.58076579
+H      0.59256870      0.85751965      0.49288542
+H      0.59101457     -0.91784492      0.37872461
+H      0.64303954      0.06706263     -1.09747007
+H      2.95041959     -0.06511602      0.98364229
+H      2.75278153     -1.16764216     -1.92063514
+H      4.21942214     -1.23956359     -0.81783478
+H      2.73462215      1.32486071     -1.77048042
+H      5.12182680      0.95992243      0.18941389
+H      4.35061976      2.52209668     -0.15938478
+H      5.27000947      1.67842380     -1.42752032 
+
+15
+-1469.879521635447 9.164708 9.97715 -10.6407 -8.3138 -11.92 1.0486 0.1329 3.142 11.68367 -2.91053 10.1791514112 10.611031845 0.128765126
+C      0.93978987     -0.01107217      0.01184573
+C      2.45865593      0.01558327      0.04778137
+C      3.18571609      1.06717584      0.93491135
+C      4.25120746     -0.01089243      1.26838662
+C      3.22702946     -1.09049717      0.82755787
+H      0.56642281     -0.87567552     -0.55868889
+H      0.53346080      0.89802210     -0.45818275
+H      0.52445821     -0.07645316      1.03014914
+H      2.85858927      0.07442392     -0.97914270
+H      2.57845044      1.31517449      1.82026573
+H      3.51895784      2.00255897      0.46300505
+H      5.10384064      0.03992283      0.57515666
+H      4.63659046     -0.05462974      2.29624148
+H      3.59483296     -1.96126700      0.26618186
+H      2.63120777     -1.44770424      1.68286147 
+
+15
+-1470.0647681294001 9.23496 10.05604 -9.8767 -7.586 -10.957 0.9922 0.0815 3.092 10.61366 -2.77087 8.8600643572 10.8572432438 0.208230071
+C      0.86732081      0.03030155     -0.25974403
+C      2.35378187     -0.00017563      0.04271816
+C      2.69673262     -0.02839184      1.52043091
+C      3.25360080     -0.76019943     -0.90728466
+C      3.28025113      0.75613662     -0.88437595
+H      0.67779769      0.05090027     -1.34273187
+H      0.39267799      0.92137239      0.18206431
+H      0.36210838     -0.85765073      0.15353712
+H      3.78446454     -0.05024447      1.68034009
+H      2.26678036     -0.91794133      2.00863000
+H      2.29866267      0.86109089      2.03507758
+H      2.79541366     -1.24885557     -1.76895790
+H      4.11063581     -1.29122546     -0.48929307
+H      4.15517544      1.24390335     -0.45102735
+H      2.83996623      1.28629938     -1.73071334 
+
+15
+-1468.2113222008772 9.196489 10.18049 -10.1525 -7.8642 -11.41 1.0632 0.1719 3.241 11.06505 -2.9343 9.430437153 11.2658391068 0.296040393
+C      3.17452228     -1.16276300     -0.42220619
+C      2.44995583      0.05976849      0.15015466
+C      3.32237309      1.29835950      0.18944627
+C      3.46034634      2.16907592     -1.03869545
+C      2.70695157      2.67659258      0.17243667
+H      2.52397585     -2.04924558     -0.43237123
+H      4.06537817     -1.40959260      0.17568450
+H      3.50972507     -0.97574435     -1.45342539
+H      2.08835595     -0.16562472      1.16859618
+H      1.55019390      0.27583801     -0.45212302
+H      4.22851796      1.19397075      0.79506162
+H      2.87540916      1.89445610     -1.91893517
+H      4.43302914      2.60861022     -1.26237790
+H      3.16835821      3.46028640      0.77441895
+H      1.61968747      2.74361228      0.10069550 
+
+17
+-1614.9651352369076 9.898907 11.09542 -11.2256 -8.8954 -12.466 1.0286 0.1059 3.163 12.30773 -2.93955 10.5616978156 11.2384382008 0.255724566
+C      0.96871549     -0.08860393      0.01469608
+C      2.49768592     -0.03912665      0.02357225
+C      3.05611804      1.38620998     -0.01369951
+C      4.58600289      1.45073329     -0.01333693
+C      5.12966244      2.88029396     -0.04652454
+H      0.59618777     -1.12277871      0.04375016
+H      0.56120443      0.38760180     -0.89067099
+H      0.54885690      0.44191286      0.88347310
+H      2.89089665     -0.60483865     -0.83926669
+H      2.87934485     -0.55407454      0.92263231
+H      2.66743577      1.95223812      0.85284063
+H      2.67022815      1.90515703     -0.91043757
+H      4.97217517      0.88798775     -0.88126445
+H      4.97042699      0.92955800      0.88091081
+H      4.78621248      3.41520880     -0.94566584
+H      6.22916063      2.89623129     -0.04891248
+H      4.78946544      3.45515961      0.82887366 
+
+17
+-1616.5503373048082 9.821653 10.57961 -11.3595 -8.9745 -12.788 0.9132 -0.0391 2.945 12.51832 -2.63665 10.8272262332 10.8275361982 0.139276107
+C      0.98527943     -0.01100720     -0.00545149
+C      2.52366327     -0.00750424      0.01067450
+C      3.02484952     -0.72061033      1.27841855
+C      3.05126568     -0.74243832     -1.23366208
+C      3.03330998      1.44407090      0.00338360
+H      0.59756711      0.49513567     -0.90315844
+H      0.57887601      0.50839436      0.87627176
+H      0.59163432     -1.03931565     -0.00192265
+H      2.66302496     -0.21430985      2.18678307
+H      4.12520294     -0.73462502      1.31606031
+H      2.67329837     -1.76355277      1.31125446
+H      2.70642135     -0.25369603     -2.15810692
+H      2.70259335     -1.78665948     -1.25432581
+H      4.15217498     -0.75445776     -1.24932906
+H      2.69004919      1.97974807     -0.89528269
+H      4.13381705      1.47740445      0.01575809
+H      2.66957248      1.99585320      0.88407481 
+
+17
+-1614.9232635242374 9.805338 10.7457 -11.2368 -8.7703 -12.471 0.9936 0.0682 3.096 12.23372 -2.81959 10.5601603892 11.1349098908 0.16321421
+C      0.95640057     -0.08874268      0.03959232
+C      2.48230382      0.02141433      0.09430954
+C      3.03081502      1.45921475      0.05020662
+C      2.56589093      2.29876178      1.24721481
+C      4.56154419      1.44980024     -0.04182323
+H      0.63736477     -1.13955382     -0.01623926
+H      0.55332334      0.42804280     -0.84583232
+H      0.47935725      0.35120825      0.92740948
+H      2.91477417     -0.54073694     -0.75131467
+H      2.85773077     -0.47157219      1.01008463
+H      2.63855610      1.93377852     -0.86992248
+H      2.88121215      1.83271055      2.19577663
+H      1.47269305      2.41100303      1.27520808
+H      3.00135993      3.30867129      1.21224267
+H      5.00502254      0.98431484      0.85373800
+H      4.96383517      2.47107292     -0.11943151
+H      4.90766622      0.88242234     -0.91907934 
+
+11
+-1208.5521866239142 8.674485 8.51215 -8.3884 -6.3247 -8.281 1.0582 -0.6252 0.633 7.84098 -0.12573 4.652946608 7.2098974874 0.605917855
+C      0.00016106      1.25018376      0.00878192
+C      1.18086690      0.32181333      0.00412075
+C      0.73253402     -0.95862412     -0.00269887
+C     -0.73283547     -0.95843564     -0.00293588
+C     -1.18081212      0.32214792      0.00372708
+H      0.00040012      1.92343197     -0.86793554
+H      0.00010692      1.91428508      0.89244398
+H      2.21834534      0.65093392      0.00600679
+H      1.35125184     -1.85595150     -0.00729365
+H     -1.35179774     -1.85559095     -0.00773805
+H     -2.21818087      0.65161623      0.00527148 
+
+13
+-1346.3767108390916 8.810603 9.08273 -9.1331 -6.8118 -8.947 1.0051 0.091 1.457 8.4878 -0.84934 6.1287271688 6.1287271688 0.311457756
+C     -1.29171313     -0.00025868     -0.13100242
+C     -0.38305305     -1.23631901      0.09642507
+C      1.00881049     -0.67101303     -0.05873791
+C      1.00882299      0.66967839     -0.05175383
+C     -0.38306485      1.23331839      0.10933303
+H     -1.63850321      0.00519049     -1.17537014
+H     -2.18382246     -0.00362062      0.50996677
+H     -0.59731722     -2.05252948     -0.61147119
+H     -0.51224670     -1.66346695      1.10810997
+H      1.90121002     -1.29624628     -0.12134452
+H      1.90117597      1.29559122     -0.10786684
+H     -0.51219599      1.64980919      1.12545955
+H     -0.59733286      2.05693637     -0.58992754 
+
+13
+-1323.1597750501478 9.134886 9.63517 -9.3288 -7.0911 -9.33 1.4622 0.0527 1.345 8.83718 -0.77636 6.4943990786 6.4943990786 0.41357949
+C      1.71672791     -0.37998845     -1.24842075
+C      2.22253965      0.12745091     -0.11665856
+C      3.27998310      1.16390572     -0.00848685
+C      3.68666848      2.03565480     -1.16937687
+C      2.90425237      2.64050246     -0.02846701
+H      0.91963813     -1.12379642     -1.22602333
+H      2.08036105     -0.07476605     -2.23205871
+H      1.82884420     -0.23208509      0.84164672
+H      4.07473937      0.91699841      0.70207144
+H      3.16691789      1.90331915     -2.11854254
+H      4.74210012      2.29191232     -1.26499312
+H      3.41697449      3.30993546      0.66321759
+H      1.85540324      2.87703677     -0.21092801 
+
+11
+-1167.8287668028872 8.827253 9.46624 -9.4205 -7.1589 -9.435 1.0752 0.0639 2.29 9.07184 -1.88751 4.3084763042 12.4854769902 0.530404562
+C      0.99514476      0.03739333     -0.09799730
+C      2.20924892      0.00633605     -0.04389955
+C      3.64160672     -0.02920323      0.01840213
+C      4.43450536     -0.75285773     -1.06387953
+C      4.46924829      0.74666580     -0.99979936
+H     -0.07384866      0.06464152     -0.14553795
+H      4.05667611     -0.08200032      1.02764653
+H      3.85738350     -1.21699516     -1.86275104
+H      5.31339491     -1.31059355     -0.74069483
+H      5.37242582      1.23324758     -0.63177302
+H      3.91606425      1.30345571     -1.75519608 
+
+13
+-1324.7668029988056 9.921614 10.19004 -9.5517 -7.3645 -9.269 1.3669 -0.3347 0.946 8.87421 -0.61513 6.2817134942 6.2817134942 0.755837173
+C      1.61292407     -0.96826073      0.74839276
+C      2.38095688     -0.29832822     -0.11797268
+C      3.30490208      0.83771287      0.24109324
+C      4.74570421      0.51561231     -0.06450777
+C      5.51176096      1.17556430     -0.94021796
+H      0.96945099     -1.78733902      0.42402192
+H      1.59947800     -0.71616598      1.81220874
+H      2.37394953     -0.58518045     -1.17562484
+H      3.19388930      1.06474856      1.31540486
+H      3.01391537      1.74432375     -0.31699793
+H      5.16305583     -0.34217947      0.47489577
+H      5.12781130      2.03090667     -1.50273990
+H      6.54803147      0.88680541     -1.12169620 
+
+11
+-1167.8490515086182 9.253174 9.79238 -9.8927 -7.5942 -9.471 1.5112 -0.1563 1.128 9.07458 -0.59234 4.3604264382 10.7531693954 0.75785463
+C      1.68436468     -0.61106530      1.04106340
+C      2.48178462     -0.13287713      0.08250884
+C      3.18664463      1.20335235      0.15183357
+C      4.63050074      1.09594871     -0.04635276
+C      5.82673965      0.98710332     -0.22052957
+H      1.18701206     -1.57599608      0.93646070
+H      1.50184378     -0.05528268      1.96436788
+H      2.65845504     -0.71451312     -0.82731640
+H      2.97878717      1.68508752      1.12113034
+H      2.77580611      1.87321198     -0.62536498
+H      6.88352151      0.89650044     -0.36715103 
+
+9
+-1008.9649232642207 8.602597 9.39841 -10.1858 -7.7579 -9.702 0.9874 -0.0573 1.821 9.43972 -1.58559 4.3566076694 10.7871663566 1.420422324
+C      0.92896487     -0.07952617      0.00000000
+C      2.13894692     -0.01129313      0.00000000
+C      3.60227657      0.04509144      0.00000000
+C      4.14398968      1.40565239      0.00000000
+C      4.61222178      2.52345092      0.00000000
+H     -0.14060549     -0.13181451      0.00000000
+H      3.98606772     -0.49800013     -0.88127920
+H      3.98606772     -0.49800013      0.88127920
+H      5.01836024      3.51428932      0.00000000 
+
+15
+-1474.321976994498 9.881249 10.48561 -8.8189 -6.5764 -8.696 0.925 0.0248 1.502 8.15888 -0.84809 6.0211445166 6.0211445166 0.372067464
+C      0.91895056     -0.12538015      0.00585500
+C      2.42156030      0.00447102      0.00143048
+C      3.12339724      1.15342316      0.00010310
+C      2.47877079      2.51418706      0.00365861
+C      4.62932777      1.15484146     -0.00468234
+H      0.61793166     -1.18114116     -0.00688965
+H      0.45662144      0.35476556     -0.87131264
+H      0.46421524      0.33077618      0.89979919
+H      2.98974202     -0.93179144     -0.00033911
+H      1.38294484      2.46630440      0.00434091
+H      2.79465549      3.09819101     -0.87715253
+H      2.79548070      3.09340481      0.88737057
+H      5.03821438      0.13551166     -0.00472755
+H      5.02826313      1.68559578      0.87628216
+H      5.02244445      1.68326064     -0.88968619 
+
+13
+-1332.9193601071845 10.813755 10.49651 -8.5382 -6.4392 -8.317 0.8297 -0.75 0.345 7.87155 0.19476 5.0823845176 5.0823845176 0.804402695
+C      0.84975702      0.01688772     -0.09582981
+C      2.33934633      0.00694995     -0.21797127
+C      3.16984608      0.90863464      0.34521664
+C      4.61480038      0.88491165      0.21695159
+C      5.44612984      1.78396637      0.77827410
+H      0.48078928     -0.91705569      0.35900587
+H      0.36916606      0.08797200     -1.08541311
+H      0.49836017      0.85853741      0.51688067
+H      2.77816351     -0.80209767     -0.81483699
+H      2.74238251      1.72247720      0.94449566
+H      5.03697855      0.07005548     -0.38266728
+H      5.06285638      2.60977258      1.38252398
+H      6.52664390      1.72046836      0.65065997 
+
+11
+-1174.51157163159 10.000654 10.09364 -8.8826 -6.7856 -8.565 0.8367 -0.8466 0.556 8.18529 -0.01599 4.0916371888 11.4567527496 0.535459894
+C      0.91405771     -0.03006102      0.05434437
+C      2.40230707      0.00773218      0.16559965
+C      3.16864454      1.06209954     -0.18543303
+C      4.58141882      1.10078249     -0.07895046
+C      5.79463047      1.17772295     -0.00299094
+H      0.58798855     -0.85569922     -0.59877134
+H      0.50997419      0.90894730     -0.34725586
+H      0.45042737     -0.21378253      1.03713172
+H      2.89709573     -0.88526919      0.56047163
+H      2.68796657      1.96359375     -0.58305836
+H      6.86146900      1.23165375      0.06732262 
+
+13
+-1332.0941617648343 10.234417 9.92077 -8.782 -6.6904 -8.586 0.6462 -0.9392 0.296 8.04881 0.19423 5.2644207628 5.2644207628 0.75209804
+C      1.02309899     -0.01659993      0.22833369
+C      2.51057327     -0.11451695      0.00977900
+C      3.08075359     -1.23920057     -0.47391464
+C      3.34967100      1.04181097      0.33198220
+C      2.91719423      2.21981639      0.81821041
+H      0.58902599      0.80181779     -0.36672223
+H      0.79145151      0.19481427      1.28376281
+H      0.52067703     -0.95028361     -0.05348847
+H      2.48662476     -2.11921611     -0.72471113
+H      4.15939139     -1.30319322     -0.62989808
+H      4.42165068      0.90788366      0.15108745
+H      1.86201718      2.41348971      1.01891919
+H      3.61507037      3.02996761      1.03034981 
+
+11
+-1173.4928724936774 9.584758 9.68708 -9.1186 -6.971 -8.784 0.7258 -0.9358 0.571 8.30896 -0.05737 4.0657861078 6.0554018484 0.447994056
+C      0.99644274      0.02758157     -0.02099195
+C      2.50517042     -0.04643395      0.03195361
+C      3.17568836     -1.20551576      0.19876892
+C      3.20178328      1.19214651     -0.10554395
+C      3.74024073      2.27705095     -0.22786643
+H      0.61286748      0.68212137      0.77547512
+H      0.55232798     -0.96917212      0.09457528
+H      0.66345993      0.45644050     -0.97765475
+H      2.63811685     -2.14880518      0.30342913
+H      4.26432792     -1.23068030      0.23324804
+H      4.23343433      3.22209643     -0.32835303 
+
+15
+-1470.461652057894 9.854721 10.42462 -9.6223 -7.3591 -9.443 0.9952 0.1122 1.4 8.89917 -0.83436 6.6519976832 6.6519976832 0.447840211
+C      0.87733344     -0.07540829     -0.08177695
+C      2.41106981      0.02094665     -0.00058948
+C      3.07039726     -0.79411118     -1.12721887
+C      2.85782451      1.45818978     -0.05143294
+C      3.52708016      2.09803405      0.91389770
+H      0.39976125      0.48150935      0.73648663
+H      0.54826490     -1.12393549     -0.02468904
+H      0.50869773      0.33961907     -1.03358386
+H      2.73484117     -0.40004273      0.96798244
+H      2.77786005     -0.40417818     -2.11537702
+H      2.76056243     -1.84891603     -1.07911632
+H      4.16651126     -0.75263157     -1.05932276
+H      2.59768161      2.00073742     -0.97060369
+H      3.80434069      1.59262754      1.84341485
+H      3.82148376      3.14378959      0.81269932 
+
+13
+-1314.4752056038005 9.290778 10.041 -9.9667 -7.6205 -9.756 0.9672 -0.0141 2.395 9.3979 -1.96927 4.3472343278 10.6034439018 0.550442392
+C      0.97006808     -0.03622494      0.01595992
+C      2.51059355     -0.00583765     -0.01240222
+C      3.07006945     -0.77981257     -1.22181700
+C      3.01036387      1.36986540      0.00885130
+C      3.41619598      2.51471404      0.00930347
+H      0.57982522      0.49397818      0.89455636
+H      0.61348870     -1.07577566      0.04824992
+H      0.55894153      0.44355510     -0.88376030
+H      2.87682142     -0.50014664      0.90592954
+H      2.72765527     -0.32445047     -2.16209209
+H      2.72382119     -1.82301599     -1.19555811
+H      4.16794159     -0.77640595     -1.22050040
+H      3.77662414      3.52292716      0.01498959 
+
+11
+-1177.575395507951 10.175359 10.5207 -8.8193 -6.6996 -8.527 0.8543 -0.823 0.599 8.12037 -0.07284 3.8418425946 5.9606393486 0.480350968
+C      0.95086388     -0.02695605      0.00004335
+C      2.40327635      0.01408520      0.00011577
+C      3.62259637      0.05925077      0.00008464
+C      5.04069476      0.05265441      0.00003786
+C      5.82120926      1.15142555     -0.00003274
+H      0.52232959      0.98612366      0.01202494
+H      0.56968638     -0.56437661      0.88182853
+H      0.56924038     -0.54344307     -0.89399206
+H      5.51548497     -0.93503821      0.00029021
+H      5.39228196      2.15413940     -0.00027735
+H      6.90730610      1.06150494     -0.00012316 
+
+9
+-1022.8885358725772 10.059005 10.23511 -9.3269 -7.117 -8.745 1.0953 -0.6293 1.005 8.38766 -0.61851 3.221032294 7.958475361 1.81025486
+C      0.99402393      0.00278824     -0.00010509
+C      2.44289955      0.00236450      0.00000018
+C      3.66578298      0.00141584     -0.00001551
+C      5.02549677      0.00078995      0.00004061
+C      6.24663149      0.00026530      0.00007893
+H      0.59955929      1.03004866      0.01211040
+H      0.59903888     -0.52054108      0.88366269
+H      0.59922903     -0.50080422     -0.89539889
+H      7.31675810     -0.00020719      0.00010669 
+
+15
+-1473.0604483489576 10.010429 10.7826 -9.1563 -6.9 -9.002 1.0914 0.1233 1.476 8.50135 -0.86419 6.3055064076 6.3055064076 0.41060268
+C      2.20198345     -0.61466869      1.42797715
+C      2.70926261     -0.10379831      0.07002494
+C      3.15744877      1.32865911      0.11862608
+C      4.40355480      1.76025120     -0.12091575
+C      4.85476227      3.18782070     -0.05308897
+H      1.86195621     -1.65811356      1.35841294
+H      1.35630987     -0.00973754      1.78890712
+H      2.99625717     -0.56224913      2.18674672
+H      1.89841819     -0.20807047     -0.67307613
+H      3.53931593     -0.73729693     -0.28277734
+H      2.39065005      2.06588808      0.39451601
+H      5.16795723      1.01977189     -0.39067172
+H      4.02937357      3.85921465      0.22287785
+H      5.26189629      3.52563514     -1.01998007
+H      5.66204357      3.31670386      0.68620118 
+
+15
+-1472.8145371367652 9.778922 10.3243 -9.2614 -7.0189 -9.135 1.0162 -0.0221 1.466 8.53188 -0.85154 6.4032693686 6.4032693686 0.409513609
+C      2.06375278     -0.31767646      1.50200182
+C      2.51290040      0.04303468      0.07667549
+C      3.08911707      1.43574332     -0.05328323
+C      2.13726497      2.58516878      0.15376258
+C      4.38396686      1.63378170     -0.34600085
+H      1.66118759     -1.34008005      1.53425346
+H      1.27763153      0.35778974      1.86846271
+H      2.90934003     -0.26279361      2.20300687
+H      1.64678052     -0.04996242     -0.60313665
+H      3.26133903     -0.68834666     -0.26522138
+H      1.29811458      2.52949851     -0.55939036
+H      2.63822791      3.55291551      0.02102932
+H      1.69383976      2.56757172      1.16172185
+H      5.06488529      0.79473584     -0.50473314
+H      4.80261169      2.63814938     -0.43865848 
+
+13
+-1320.6385142196928 9.587728 10.83808 -9.4516 -7.059 -9.199 0.9016 0.0039 2.524 8.81362 -2.07604 4.1456330918 10.1686745942 0.737147368
+C      0.96858454     -0.08441307      0.00279225
+C      2.50533081     -0.01124495      0.00045936
+C      3.01893141      1.35563256      0.00029290
+C      3.42066259      2.50379467      0.00026318
+C      3.90427332      3.87728121      0.00024012
+H      0.63436172     -1.13149238      0.00263320
+H      0.55292549      0.41201019     -0.88450938
+H      0.55583367      0.41087993      0.89207982
+H      2.89830381     -0.54618314     -0.88081193
+H      2.90096009     -0.54701703      0.88002086
+H      3.10484355      4.57979297     -0.27980681
+H      4.72994995      4.01042182     -0.71496542
+H      4.27323907      4.17151721      0.99437185 
+
+15
+-1470.0328400900346 9.895329 10.62746 -9.6309 -7.3248 -9.506 1.1193 0.1098 1.377 8.98258 -0.82208 6.6804152744 6.6804152744 0.451249951
+C      0.95632089     -0.08858133      0.02671412
+C      2.48540939     -0.05975179      0.03111352
+C      3.05531245      1.36882080     -0.03123564
+C      4.55524201      1.40476546     -0.01995419
+C      5.32296686      1.89089361     -1.00221937
+H      0.57426034     -1.11859484      0.06990234
+H      0.55291338      0.37862929     -0.88498173
+H      0.54353562      0.45788277      0.88884399
+H      2.87491787     -0.63529716     -0.82474206
+H      2.86555623     -0.56259295      0.93691355
+H      2.66954378      1.93672769      0.83582877
+H      2.67930190      1.87930445     -0.93414862
+H      5.03892711      0.97632411      0.86703743
+H      4.88285970      2.32267630     -1.90545540
+H      6.41210246      1.87674359     -0.93909672 
+
+13
+-1314.403323520701 9.351001 10.27796 -10.0875 -7.6178 -9.832 0.9604 0.0147 2.354 9.45752 -1.97866 4.3684359338 10.6325310174 0.835660397
+C      0.93900485     -0.04939082     -0.00182013
+C      2.46696016     -0.03576863     -0.00536039
+C      3.03610941      1.39776443      0.00794170
+C      4.49278205      1.44518142      0.00489451
+C      5.70702225      1.45857570      0.00210024
+H      0.55213681     -1.07791392     -0.01136437
+H      0.53171924      0.46802531     -0.88394951
+H      0.53599240      0.44993801      0.89260978
+H      2.85130965     -0.56105562     -0.89340256
+H      2.85554478     -0.57908210      0.86990221
+H      2.65842372      1.93367402      0.89610497
+H      2.65415545      1.95172447     -0.86722844
+H      6.77754922      1.47437773     -0.00028799 
+
+14
+-1355.688247656295 8.574839 9.04151 -8.6933 -6.4961 -10.093 0.9967 0.0136 3.369 9.38951 -3.1213 8.3136704538 11.6849241854 0.148067882
+C     -0.81111223     -1.05447391      0.05123213
+C     -1.23493830      0.44287861      0.07385468
+C      0.07901194      1.21523838     -0.15623330
+N      1.09385762      0.28956337      0.36556438
+C      0.71126197     -1.01692178     -0.18803859
+H     -1.03500490     -1.53092353      1.01522932
+H     -1.32756482     -1.62735966     -0.73090109
+H     -1.66593155      0.70452047      1.04996001
+H     -1.98271871      0.68170140     -0.69469610
+H      0.20418982      1.42194737     -1.24208359
+H      0.11366754      2.17605132      0.37821555
+H      2.03720673      0.56064674      0.07981184
+H      0.91886348     -1.09821246     -1.27762295
+H      1.24828142     -1.83027631      0.32190770 
+
+10
+-1103.585118320728 8.150772 7.88735 -8.1459 -6.1332 -8.048 0.8714 -0.0412 1.049 7.6115 -0.52278 4.8686574508 12.4732891664 0.456784335
+N     -1.13400394     -0.00014019      0.00054050
+C     -0.34308036      1.12873455      0.00022068
+C      0.97686858      0.71246674     -0.00013950
+C      0.97686605     -0.71276017     -0.00003682
+C     -0.34309322     -1.12902181      0.00038519
+H     -2.14701509     -0.00015416      0.00083927
+H     -0.78102857      2.12123188      0.00027868
+H      1.84556093      1.36405585     -0.00044333
+H      1.84551744     -1.36439894     -0.00024476
+H     -0.78100181     -2.12153374      0.00059009 
+
+12
+-1212.9822849285688 8.327503 8.44293 -8.7996 -6.5109 -8.961 0.966 0.0096 1.398 8.5741 -0.80932 6.0598033514 6.0598033514 0.266251044
+C     -0.37679571      1.19394500      0.09787655
+N     -1.25153044     -0.00130563     -0.02257907
+C     -0.37581365     -1.19717085      0.08389639
+C      1.03259752     -0.66925075     -0.05245539
+C      1.03205363      0.66881359     -0.04460255
+H     -0.50927977      1.67963420      1.08496993
+H     -0.63928876      1.95151750     -0.65881229
+H     -1.66495044      0.00396372     -0.95503961
+H     -0.63772837     -1.94609226     -0.68155320
+H     -0.50787730     -1.69445913      1.06525988
+H      1.91459142     -1.30943575     -0.08822883
+H      1.91353186      1.31008036     -0.07288181 
+
+14
+-1341.4305685768572 8.822164 9.57463 -8.6924 -6.4801 -9.963 0.9909 0.0534 3.276 9.52179 -2.96621 8.1189380422 11.6930452684 0.183019557
+C      0.98327078     -0.00320291     -0.07406357
+C      2.49252939      0.01123032      0.01036723
+C      3.32745538     -0.67977019     -1.05560326
+C      3.32504908      0.82162829     -0.96921598
+N      4.54853412      1.51974036     -0.62785088
+H      0.53873632      0.82686029      0.49668595
+H      0.56371515     -0.94320380      0.31735929
+H      0.64929387      0.09529381     -1.11828013
+H      2.90548884     -0.04341360      1.02264147
+H      2.80989406     -1.15482092     -1.89099442
+H      4.23417126     -1.19964158     -0.73846587
+H      2.75619601      1.33927393     -1.74872567
+H      5.15781083      0.91553776     -0.07140222
+H      4.33973490      2.33757824     -0.04808194 
+
+14
+-1339.8518253214943 8.73492 9.37777 -8.8128 -6.6064 -10.235 0.9948 0.0351 3.276 9.55094 -3.01986 8.4159341066 14.6586292066 0.132528753
+C      0.96637853     -0.03316777      0.04491904
+C      2.48138815      0.04394635      0.03962939
+C      3.20032543      1.10151236      0.91788322
+C      4.20770467     -0.02114560      1.25647036
+N      3.18741654     -1.01628562      0.82275828
+H      0.61327573     -0.92254528     -0.49886148
+H      0.52993305      0.85269587     -0.44150085
+H      0.59085209     -0.09259587      1.07658575
+H      2.85180124      0.11314521     -1.00373504
+H      2.59012420      1.38547539      1.78667669
+H      3.58230856      2.00181056      0.42216688
+H      5.10101921      0.02482870      0.60593444
+H      4.53246465     -0.12660384      2.30286062
+H      3.55182794     -1.79315046      0.26539269 
+
+14
+-1340.455124611426 8.689205 9.37879 -9.2508 -7.0672 -10.762 0.9329 -0.0145 2.974 10.1654 -2.67086 8.5517979654 11.4734040694 0.240893417
+C      0.83860832     -0.01652208     -0.23889178
+C      2.32600573     -0.05856289      0.04512254
+C      2.70496882     -0.02156594      1.51171215
+C      3.23302574     -0.76193883     -0.90507531
+N      3.14841368      0.72145023     -0.91483601
+H      0.65374188      0.00238908     -1.32061002
+H      0.38524805      0.88677571      0.19836152
+H      0.33127879     -0.89421984      0.19035745
+H      3.79463752     -0.09035600      1.64709016
+H      2.24458079     -0.85725605      2.06139365
+H      2.35891880      0.91376687      1.97988140
+H      2.82029747     -1.24525952     -1.79472433
+H      4.13225216     -1.23519048     -0.50068174
+H      3.96526225      1.10222974     -0.42389967 
+
+14
+-1333.1591658061157 8.889541 9.60034 -8.8672 -6.789 -10.43 1.0447 0.1404 3.317 9.76905 -3.00879 8.5021663696 11.7737849516 0.22577572
+C      0.99910558      0.02499683     -0.07236246
+C      2.50631925     -0.01249281     -0.02528789
+C      3.32666885     -0.74028019     -1.04145306
+N      3.24017574      0.72691276     -1.05969865
+C      4.43931507      1.42912078     -0.61181156
+H      0.61139436      0.93960405      0.40145196
+H      0.56966930     -0.83978075      0.45591731
+H      0.64868477      0.00688531     -1.11325785
+H      2.94622319      0.01866651      0.98100673
+H      2.83749188     -1.25220919     -1.87447887
+H      4.26515194     -1.19249286     -0.70166634
+H      4.15811879      2.42489369     -0.23846155
+H      5.12151362      1.56279003     -1.46440666
+H      4.98809766      0.89638583      0.19241887 
+
+14
+-1337.2694316393222 8.624575 9.21467 -8.787 -6.5219 -10.207 0.9703 0.0134 3.236 9.54402 -2.96541 8.379407831 14.6072618068 0.200623314
+C      0.92299533     -0.01999230      0.23541505
+C      2.40588640      0.02490068     -0.11034502
+C      3.23248770      1.05020984      0.71581256
+N      3.62795185     -0.04960904      1.63678810
+C      3.26778990     -1.05589752      0.60118855
+H      0.43451706     -0.89074548     -0.22779834
+H      0.40506874      0.88321093     -0.12117746
+H      0.78047501     -0.08770818      1.32408362
+H      2.54880748      0.08694656     -1.19829200
+H      2.67715668      1.87091838      1.19908460
+H      4.06575517      1.47763908      0.12803343
+H      4.61030061     -0.04840762      1.91817189
+H      4.11373955     -1.39043747     -0.02770246
+H      2.73997851     -1.94162786      0.99230749 
+
+14
+-1340.7897469268157 8.758884 9.62444 -9.199 -7.0317 -10.745 0.9718 0.0582 3.122 10.16291 -2.88808 8.6082115954 11.7044767776 0.247929828
+C      1.01543587     -0.02112994     -0.08054514
+C      2.51920222      0.05745305      0.01318527
+N      3.37135396     -0.64069440     -0.98054084
+C      3.31754008      0.84446488     -0.96601334
+C      4.59347028      1.55758990     -0.59445662
+H      0.53729831      0.75014122      0.54271969
+H      0.64752871     -1.00078595      0.26178773
+H      0.67513724      0.12616164     -1.11740151
+H      2.92160564     -0.01864382      1.03036561
+H      2.77158043     -0.99451749     -1.73488424
+H      2.73442591      1.32120762     -1.76371846
+H      5.11757609      1.01393456      0.20360391
+H      4.38637886      2.58030434     -0.24414616
+H      5.27255640      1.62423439     -1.45787590 
+
+14
+-1342.6153844788507 8.811567 9.42079 -8.7738 -6.5601 -10.002 0.9469 -0.0254 3.252 9.55559 -2.94147 7.9926087068 12.7638131616 0.318823952
+C      0.89872124      0.04247374     -0.19330698
+C      2.39143978     -0.02641306      0.05027656
+N      2.71261158     -0.01507984      1.47088670
+C      3.24951628     -0.78856553     -0.94831278
+C      3.31229097      0.72985674     -0.86589189
+H      0.67132174      0.06222669     -1.26774313
+H      0.47640654      0.94337143      0.27501633
+H      0.39142637     -0.83515683      0.23900630
+H      3.72342157      0.05679659      1.60728765
+H      2.42591902     -0.90348206      1.89507106
+H      2.77107141     -1.23676118     -1.82127889
+H      4.10266323     -1.34695230     -0.55948675
+H      4.20844870      1.17541141     -0.42960195
+H      2.87497155      1.31355417     -1.67727224 
+
+14
+-1337.5614996422808 8.696294 9.50792 -9.4293 -7.2125 -10.983 0.9867 0.0428 3.152 10.31616 -2.85327 8.8772364182 11.5925174196 0.17386007
+C      1.02747973      0.12956435      0.11002728
+C      2.52206046     -0.02956300     -0.18157982
+C      3.27969638      1.27439810     -0.07445623
+C      3.83581921      1.75563444      1.21998120
+N      4.73287895      1.18006768      0.18927471
+H      0.50146268     -0.83145670      0.02242322
+H      0.55360296      0.83225507     -0.59242077
+H      0.85988299      0.51415992      1.12730879
+H      2.66658759     -0.44519647     -1.19322415
+H      2.97809328     -0.74989705      0.51599317
+H      2.95096123      2.05764415     -0.76889885
+H      3.72206457      1.13605203      2.11379349
+H      3.86433223      2.83217042      1.40673146
+H      5.22217775      1.93855704     -0.29598350 
+
+12
+-1193.0727952080742 8.906787 9.22413 -9.1694 -7.0458 -9.42 1.4697 -0.0178 1.215 8.93875 -0.65822 6.520671712 6.520671712 0.506639357
+C      2.09053736     -1.05490975     -0.84795963
+C      2.05550714      0.26834875     -0.64367682
+C      3.24950832      1.11668349     -0.45948174
+C      3.32903463      2.49323326     -1.04468298
+N      3.07490510      2.32594768      0.39501310
+H      1.17727532     -1.63235632     -0.99215296
+H      3.03505892     -1.60392315     -0.87746174
+H      1.09714534      0.79699736     -0.60715793
+H      4.19995271      0.57748078     -0.38364460
+H      2.48033390      2.87834674     -1.61565963
+H      4.30961797      2.83796871     -1.38376340
+H      3.93836329      2.48969245      0.92203833 
+
+10
+-1033.8625931681727 8.307427 8.80998 -9.5861 -7.3669 -9.719 0.9398 -0.2063 2.163 9.35753 -1.76811 4.36244741 10.6554436302 0.452030129
+C      0.96478829      0.00367746     -0.05104789
+C      2.17897996     -0.00271262     -0.04909655
+C      3.61566898     -0.04143426     -0.01138414
+C      4.41579101     -0.76921651     -1.04896451
+N      4.35208236      0.69972753     -1.07696400
+H     -0.10563743      0.02071679     -0.06498964
+H      4.04463974     -0.02704226      0.99552940
+H      3.88250940     -1.26040271     -1.86481318
+H      5.33056812     -1.26552033     -0.71486970
+H      5.20500958      1.09282692     -0.66500978 
+
+16
+-1487.217217158575 9.454738 10.41838 -9.2762 -6.9109 -10.628 0.9902 0.0152 3.213 9.99678 -2.97584 8.7649794938 11.5948111606 0.163836714
+C      1.13730402     -0.29339225     -0.08766751
+C      2.66210338     -0.16965928     -0.05489995
+C      3.14583398      1.28114229      0.01298901
+C      4.66779655      1.41693305      0.02551621
+N      5.06349211      2.83019208      0.13910468
+H      0.81954622     -1.34492011     -0.13679765
+H      0.71502301      0.22407857     -0.96286585
+H      0.68244589      0.15168700      0.81047218
+H      3.08912111     -0.65742925     -0.94830363
+H      3.05680637     -0.72522718      0.81345198
+H      2.74247475      1.77538757      0.91254149
+H      2.74250124      1.83850503     -0.85285925
+H      5.08221361      0.90447958     -0.86832958
+H      5.07104537      0.88739113      0.90525408
+H      4.76497740      3.33749668     -0.69904619
+H      6.08295499      2.90703508      0.16585997 
+
+10
+-1078.7180605916055 8.082349 8.63371 -10.5432 -8.2723 -10.096 1.1762 -0.6323 0.672 9.59028 -0.20947 5.3660024926 6.6714510866 0.46307575
+C      0.87709486     -0.14762273     -0.14957327
+C      2.16525493      0.03802330      0.14586072
+C      2.85839279      1.37987895      0.06895177
+C      3.51039845      1.75039878      1.32607994
+N      4.03367062      2.03350141      2.32918319
+H      0.42388079     -1.13790215     -0.09998997
+H      0.23147586      0.68088010     -0.45059524
+H      2.79077455     -0.80390159      0.45478758
+H      2.14329910      2.17067084     -0.20474906
+H      3.63631806      1.36222310     -0.71389566 
+
+8
+-918.558966407048 7.488191 8.24993 -10.9957 -8.5088 -10.431 0.8608 -0.3905 1.092 10.05195 -0.80972 4.407826286 11.1857441508 0.625573072
+C      0.94232342     -0.03740344      0.00000020
+C      2.15247056     -0.00040181      0.00000133
+C      3.61358073      0.02694352      0.00000272
+C      4.17072307      1.38497987      0.00000000
+N      4.63969724      2.45151629     -0.00000219
+H     -0.12825998     -0.07028130     -0.00000081
+H      4.00449338     -0.50446869     -0.88386766
+H      4.00449159     -0.50446445      0.88387641 
+
+14
+-1345.4734231272191 9.581434 10.11936 -9.2246 -6.9197 -9.102 1.0794 -0.0349 1.438 8.61292 -0.83439 6.354096521 6.354096521 0.395424766
+C      0.86768834     -0.00134671      0.03478052
+C      2.36334597     -0.07171788     -0.01220040
+C      3.19227036      0.98101865      0.00646768
+C      4.68915603      0.88356382     -0.03714150
+N      5.22060992      1.65888994     -1.17322854
+H      0.47131228     -0.53721601      0.91238333
+H      0.41968145     -0.48050538     -0.85075751
+H      0.51277953      1.03761951      0.07928200
+H      2.80153681     -1.07711798     -0.06026840
+H      2.78377072      1.99825056      0.03761584
+H      4.98208178     -0.18632409     -0.03091783
+H      5.10775142      1.33285946      0.88087253
+H      4.93122661      1.21659668     -2.04963371
+H      6.24288879      1.64219944     -1.16007400 
+
+10
+-1084.4498256218592 8.595792 8.85751 -10.0688 -7.9194 -9.742 0.307 -1.4965 -0.158 9.28451 0.64443 5.0234539718 6.4923905054 0.311287559
+C      0.91249457     -0.01014442      0.04478783
+C      2.39660525      0.04287144      0.16770795
+C      3.15351644      1.10252082     -0.17909015
+C      4.57041536      1.12097311     -0.04941054
+N      5.73611199      1.16634230      0.04547625
+H      0.60824600     -0.84598276     -0.60492598
+H      0.49752249      0.92010817     -0.36436469
+H      0.44950154     -0.19966977      1.02604498
+H      2.89698931     -0.84440334      0.56751437
+H      2.69713705      2.01091445     -0.58284003 
+
+14
+-1343.7555875397084 9.339948 9.71017 -9.2326 -6.9216 -9.22 0.9271 -0.1831 1.454 8.63405 -0.84448 6.4563105794 6.4563105794 0.41183545
+C      1.05296292      0.01869374      0.23773535
+C      2.53651154     -0.15011210      0.05282313
+C      3.11041466     -1.35319410     -0.09000680
+C      3.35494711      1.12184645     -0.00025589
+N      3.14139723      1.97220126      1.18914648
+H      0.83164721      0.47130732      1.21763866
+H      0.52783852     -0.94380599      0.18536805
+H      0.62905791      0.68605189     -0.53168027
+H      2.51855100     -2.27105089     -0.09350903
+H      4.19081558     -1.45822712     -0.20883288
+H      3.11764793      1.63993756     -0.95547370
+H      4.42186640      0.85798855     -0.03751211
+H      2.21870878      2.41248080      1.14287999
+H      3.81456321      2.74157263      1.17444901 
+
+10
+-1082.9858369811013 8.265938 8.53501 -10.2085 -8.0561 -9.884 0.267 -1.5619 -0.161 9.40065 0.5933 5.0521567308 11.5150881626 0.422448083
+C      0.97963357      0.02739559     -0.01755914
+C      2.48556380     -0.04285078     -0.01305871
+C      3.19564645     -1.16593462      0.20301735
+C      3.17466603      1.19187372     -0.25940649
+N      3.69479070      2.21926420     -0.46402910
+H      0.62088993      0.72982170      0.74845197
+H      0.54859553     -0.96171596      0.17806283
+H      0.61056210      0.39053352     -0.98752816
+H      2.68831978     -2.11249794      0.39199078
+H      4.28476212     -1.16189943      0.19540867 
+
+16
+-1487.779702236449 9.371697 10.10199 -9.2136 -6.9159 -10.583 0.9598 -0.0185 3.155 9.94279 -2.87341 8.6904515092 11.3689954588 0.132491167
+C      0.99181124     -0.01542852      0.02616396
+C      2.52252288     -0.01468058     -0.04803598
+C      3.02421939     -0.78768115     -1.27191563
+C      3.05944526      1.42575922     -0.02539489
+N      4.52945193      1.45920306      0.03551721
+H      0.62656320      0.51870571      0.91652868
+H      0.59809524     -1.04173539      0.06285694
+H      0.55767964      0.47370086     -0.86116374
+H      2.90695178     -0.51989636      0.85956193
+H      2.59902668     -0.36319776     -2.19640704
+H      2.72738152     -1.84558818     -1.22268099
+H      4.11798294     -0.73005335     -1.34668871
+H      2.56674757      1.97039472      0.80718322
+H      2.75182522      1.93063541     -0.95813782
+H      4.84291759      1.15417319      0.96116351
+H      4.86215790      2.41891913     -0.07548065 
+
+16
+-1491.0366026850552 9.392636 9.96024 -9.1333 -6.9552 -10.527 0.8771 -0.13 3.026 9.85852 -2.73077 8.42360884 10.9708888114 0.147868164
+C      0.99291399      0.00498201     -0.01065907
+C      2.52848833     -0.01339902     -0.00032635
+C      3.03386414     -0.70553271      1.27402823
+C      3.05198310     -0.75966766     -1.24471718
+N      2.98569022      1.39619678      0.05295196
+H      0.61238025      0.51584513     -0.90948687
+H      0.61291643      0.53857091      0.87164491
+H      0.58715517     -1.01706383     -0.00931933
+H      2.66887091     -0.17573813      2.16491092
+H      4.13503370     -0.71197807      1.30710546
+H      2.69149034     -1.74964365      1.31693524
+H      2.70639782     -0.26755711     -2.16737951
+H      2.70553639     -1.80516889     -1.27102720
+H      4.15318992     -0.76990062     -1.25743065
+H      2.68445117      1.88039975     -0.79901706
+H      4.01051812      1.41872510      0.03664650 
+
+12
+-1226.0650944562078 8.113911 8.91124 -11.5939 -9.1613 -11.768 0.7956 -0.2887 1.507 11.30118 -1.11582 5.3729457086 11.1045829152 0.404569194
+C      0.96815031     -0.02701320      0.01838680
+C      2.50799152     -0.01236311     -0.01292717
+C      3.07609906     -0.77360285     -1.22538960
+C      3.00919436      1.36629191      0.00905403
+N      3.40238508      2.46490942      0.01609037
+H      0.58215764      0.49913723      0.90066768
+H      0.61098744     -1.06542058      0.04648464
+H      0.55825279      0.45712024     -0.87864709
+H      2.88301102     -0.48994002      0.90923981
+H      2.73657160     -0.31474052     -2.16414447
+H      2.72731446     -1.81497467     -1.20187902
+H      4.17346471     -0.77252384     -1.21858597 
+
+12
+-1190.75260336894 9.154331 10.17308 -9.299 -6.9127 -9.212 0.8951 -0.1242 2.518 8.84127 -2.04861 4.1753401374 10.3018355582 0.893616066
+C      0.96612543     -0.01349687     -0.00160811
+C      2.42143685     -0.00635710     -0.00530499
+C      3.63721137      0.00135484      0.00638327
+C      5.09716679      0.01459984     -0.01462235
+N      5.63091461      1.39261820      0.02394750
+H      0.56875417      1.01239473      0.01393324
+H      0.57280380     -0.53590243      0.88327313
+H      0.56425482     -0.51465436     -0.89489721
+H      5.43472909     -0.57565389     -0.89162397
+H      5.47391781     -0.51412070      0.87768173
+H      5.26751943      1.91248757     -0.77934886
+H      6.64705585      1.35550019     -0.09176337 
+
+8
+-929.2045006428167 8.571671 8.91913 -10.5662 -8.3097 -10.035 0.6128 -1.3033 0.146 9.62946 0.17008 3.6038514676 7.8974494518 1.075912069
+C      1.02747314     -0.00388692      0.00292003
+C      2.47339881     -0.00076832      0.00057324
+C      3.69345413      0.00041362     -0.00029201
+C      5.05723882      0.00106392     -0.00077989
+N      6.23202592      0.00132986     -0.00099800
+H      0.63503163      1.02136225      0.06787074
+H      0.64063493     -0.57353909      0.86038638
+H      0.63686260     -0.46244534     -0.91713050 
+
+16
+-1488.5991867191578 9.393317 10.08402 -9.1567 -6.9361 -10.548 0.9595 -0.0061 3.167 9.8858 -2.90154 8.574685781 10.777421057 0.139478675
+C      0.95913004     -0.08571216      0.04760512
+C      2.48348507      0.03037486      0.10129260
+C      3.02443883      1.46736686      0.06161422
+C      2.57196337      2.30407422      1.26744206
+N      4.49011179      1.40288664     -0.10228517
+H      0.64868675     -1.13945604      0.00544335
+H      0.55410556      0.41385443     -0.84642199
+H      0.47623228      0.36241080      0.92821683
+H      2.93067876     -0.51066704     -0.74723166
+H      2.86056303     -0.46203262      1.01732947
+H      2.63281927      1.94441753     -0.85642302
+H      2.92110387      1.84641308      2.20801787
+H      1.47671255      2.39900973      1.32286324
+H      2.98831254      3.32128729      1.21263357
+H      4.89961468      0.95570182      0.72525207
+H      4.87485161      2.35163059     -0.12153855 
+
+12
+-1225.9642696958736 8.192429 9.10969 -11.6583 -9.1908 -11.842 0.7656 -0.2657 1.469 11.39338 -1.10605 5.3855922806 14.4863010652 0.457021435
+C      0.94535804     -0.05313177     -0.00408113
+C      2.47276837     -0.02850875     -0.00294296
+C      3.02251288      1.41204171      0.00803795
+C      4.48109819      1.46611086      0.00930661
+N      5.64740118      1.49069014      0.01025675
+H      0.57176612     -1.08609493     -0.01191533
+H      0.53567114      0.45605793     -0.88942126
+H      0.53455338      0.44298357      0.88813792
+H      2.86437993     -0.55141224     -0.88844229
+H      2.86326702     -0.56441740      0.87524395
+H      2.65758476      1.95410813      0.89573192
+H      2.65862898      1.96718273     -0.87197213 
+
+16
+-1481.2040824975563 9.534152 10.4431 -8.6568 -6.4569 -10.058 1.0118 0.0619 3.334 9.35626 -3.08708 8.177434637 11.4587365256 0.149444682
+C      1.14454151     -0.51305884     -0.09153967
+C      2.66274823     -0.33815663     -0.14860544
+C      3.09994578      1.11230567      0.04690545
+N      4.55632657      1.24408728      0.04103312
+C      4.99921738      2.62987350      0.16518464
+H      0.85800637     -1.56377474     -0.23896894
+H      0.64162835      0.08199593     -0.86909995
+H      0.74404696     -0.19275000      0.88250176
+H      3.03884518     -0.69968505     -1.12230301
+H      3.14923170     -0.95756242      0.62166388
+H      2.73579728      1.47532034      1.02510870
+H      2.60895766      1.75313404     -0.72244154
+H      4.91916954      0.85256207     -0.83218209
+H      4.72443628      3.01272300      1.16063421
+H      4.56166020      3.31911529     -0.58909731
+H      6.09410104      2.67774054      0.08322619 
+
+14
+-1331.549464886268 8.809329 9.45969 -8.959 -6.8601 -10.525 1.0658 0.1477 3.597 9.84458 -3.35271 8.7043007454 12.3292794274 0.210311936
+C      1.20564911      0.29343025      0.12729457
+C      2.67409403      0.06087064     -0.20962567
+N      3.41743346      1.32484415     -0.21491144
+C      3.97411769      1.72674192      1.08207590
+C      4.86196066      1.20641248      0.00050721
+H      0.64590056     -0.65187545      0.09510650
+H      0.75188735      0.99275363     -0.58853491
+H      1.09480333      0.71954633      1.13536201
+H      2.76721515     -0.37772410     -1.21679928
+H      3.11754716     -0.66820421      0.50456883
+H      3.80012307      1.06485926      1.93838737
+H      3.94044646      2.79553466      1.30465696
+H      5.48524224      1.88993487     -0.58056857
+H      5.27651974      0.20190558      0.14230053 
+
+16
+-1483.0522196190504 9.594679 10.47602 -8.6249 -6.4535 -10.032 1.0035 0.0547 3.452 9.32009 -3.30289 8.1521042972 12.360102347 0.304427477
+C      1.08687635     -0.15721805      0.10374081
+C      2.61045395     -0.11273726      0.07036065
+N      3.09920036      1.26253869     -0.04152463
+C      4.55975960      1.35920668     -0.02827498
+C      5.01880729      2.81124760     -0.10201017
+H      0.72705815     -1.19468500      0.15084923
+H      0.66495648      0.32022945     -0.79173904
+H      0.69249074      0.36977754      0.98702859
+H      2.97797603     -0.66760964     -0.81042023
+H      3.02052525     -0.64068237      0.96158763
+H      2.72369098      1.81210822      0.73866455
+H      4.93621637      0.80684417     -0.90684408
+H      5.01239325      0.86758640      0.86313773
+H      4.61961894      3.29920638     -1.00221647
+H      6.11587982      2.87355076     -0.12622367
+H      4.67458644      3.38267644      0.77458408 
+
+14
+-1342.350224098158 9.393483 9.76839 -9.2526 -7.0337 -9.555 1.0009 -0.0305 1.38 9.02729 -0.82289 6.722210955 6.722210955 0.442264957
+C      0.87671282     -0.07620866     -0.06367215
+C      2.41296903      0.01736058      0.01103510
+N      3.11802930     -0.74790732     -1.03988238
+C      2.85515171      1.45720190     -0.05023216
+C      3.40690038      2.13949686      0.95691473
+H      0.40031047      0.46007327      0.77076302
+H      0.55214228     -1.12746199     -0.02742233
+H      0.50601148      0.36107545     -1.00462516
+H      2.74278230     -0.39789792      0.97920210
+H      2.85096174     -0.38182565     -1.95994847
+H      2.79216306     -1.71878538     -1.02362567
+H      2.67441833      1.96410181     -1.00777127
+H      3.60374342      1.66747530      1.92313531
+H      3.68385368      3.18960175      0.85269933 
+
+12
+-1185.5827976269907 8.849916 9.37463 -9.4804 -7.2309 -9.761 0.8967 -0.1657 2.348 9.39793 -1.94347 4.3821239882 10.7091419668 0.490407412
+C      0.95739576     -0.01990060      0.00985949
+C      2.50002216     -0.01944884     -0.03780331
+N      3.09318978     -0.74018829     -1.18306875
+C      3.01129156      1.35466822     -0.00762938
+C      3.38965331      2.50760133      0.00830289
+H      0.58724783      0.49721157      0.90679817
+H      0.58405443     -1.05427041      0.02694581
+H      0.54664582      0.48788728     -0.87455379
+H      2.87001325     -0.52584708      0.87250611
+H      2.81683866     -0.27255884     -2.05160078
+H      2.69552402     -1.68279898     -1.22038744
+H      3.74024341      3.51932465      0.02275099 
+
+16
+-1475.85905607991 9.602306 10.16679 -8.2803 -6.2271 -9.691 1.0039 0.0571 3.501 8.93088 -3.26214 7.7433844482 12.3326518466 0.253349408
+C      0.96865824     -0.07799486      0.09907522
+C      2.48850990      0.02636756      0.19484310
+N      2.99348679      1.39976954      0.09298747
+C      2.59347093      2.22265800      1.22993137
+C      4.44546007      1.40198263     -0.04711277
+H      0.66863516     -1.13470206      0.05926735
+H      0.60446598      0.42068352     -0.81057644
+H      0.46286089      0.37139522      0.96494878
+H      2.93752111     -0.54187605     -0.63578196
+H      2.83953731     -0.46012894      1.13664788
+H      1.49970756      2.29992909      1.28554318
+H      2.99295972      3.23901351      1.10305198
+H      2.96515518      1.82521822      2.20292579
+H      4.73464864      0.82260863     -0.93600936
+H      4.97011970      0.96706091      0.83460661
+H      4.80398282      2.43313507     -0.17975820 
+
+14
+-1333.3659694409885 8.868695 9.34626 -8.4134 -6.2957 -9.783 1.0437 0.1226 3.424 9.05464 -3.21362 7.9615626124 12.2577395054 0.126397158
+C      1.01480657     -0.00307760      0.04781773
+N      2.46327381      0.02561130      0.07919885
+C      3.12067570      1.04154972      0.93714426
+C      4.20352823     -0.00622832      1.28681694
+C      3.16459986     -1.05218522      0.81864892
+H      0.67230961     -0.86782342     -0.54003441
+H      0.63490388      0.90627359     -0.44147239
+H      0.56011448     -0.06908394      1.06256525
+H      2.51061229      1.30579971      1.82725433
+H      3.42225802      1.96528624      0.41914294
+H      5.07053537      0.04984306      0.61685048
+H      4.53826758     -0.05820736      2.32895191
+H      3.50316636     -1.89835227      0.20063834
+H      2.56819826     -1.44019549      1.67192682 
+
+14
+-1335.4088190493178 8.848976 9.55465 -8.7551 -6.5648 -9.948 1.0509 0.1279 3.643 9.2525 -3.35155 8.072542481 12.2745272098 0.245965607
+C      2.94601996     -1.07123061     -0.39126944
+N      2.32195531      0.16050274      0.09417834
+C      3.24711566      1.26177896      0.19361845
+C      3.41078385      2.14250126     -1.02289239
+C      2.67561814      2.65578367      0.19607257
+H      2.20301344     -1.88097624     -0.39756047
+H      3.82056731     -1.40451957      0.20586908
+H      3.28801706     -0.91996669     -1.42606697
+H      1.89413217     -0.00687953      1.00821030
+H      4.15744622      1.10597717      0.79510541
+H      2.80503448      1.88339062     -1.89170143
+H      4.40016372      2.54457693     -1.24236892
+H      3.15916207      3.40926611      0.81819085
+H      1.59086061      2.73617518      0.12224463 
+
+16
+-1482.5671599595278 9.476759 10.14448 -8.6214 -6.4812 -10.041 0.9753 0.0195 3.325 9.32274 -3.04619 8.1205126644 12.2249452084 0.180165412
+C      0.97434069     -0.04898504      0.01402385
+N      2.41817663      0.07022049      0.20907557
+C      2.93689888      1.44094761      0.07615112
+C      2.52584646      2.29263023      1.28086708
+C      4.45873978      1.38167012     -0.05732856
+H      0.70204958     -1.11239298     -0.03307556
+H      0.60027969      0.44725750     -0.90765393
+H      0.43524641      0.38476892      0.86876219
+H      2.88972279     -0.51620545     -0.48337305
+H      2.52631698      1.92898193     -0.83919584
+H      2.91198658      1.84549325      2.20945704
+H      1.43396354      2.37862924      1.36986184
+H      2.92985182      3.31090947      1.18546355
+H      4.90182225      0.90989951      0.83265664
+H      4.88172189      2.39007338     -0.16472210
+H      4.75854603      0.79702181     -0.94109985 
+
+14
+-1336.0084802794731 9.517036 9.99152 -8.7884 -6.6176 -9.616 1.5484 0.0193 1.341 9.1188 -0.79437 6.7336424642 6.7336424642 0.416428822
+C      1.09545333     -0.17241395      0.00178846
+N      2.54757466     -0.07454648     -0.12539816
+C      3.03923564      1.29323715      0.06442688
+C      4.53246294      1.35190564     -0.07071880
+C      5.18557982      2.15362704     -0.91917039
+H      0.77491078     -1.19857437     -0.22470074
+H      0.53171128      0.52302653     -0.65619241
+H      0.80431892      0.04531732      1.04133039
+H      2.83161293     -0.39462643     -1.05494858
+H      2.75638756      1.59883027      1.08937797
+H      2.56975224      2.03081686     -0.62456135
+H      5.09067647      0.66859536      0.57830276
+H      4.64796600      2.83482849     -1.58442734
+H      6.27523746      2.16390656     -0.97289870 
+
+12
+-1178.0077404246 8.967163 9.64044 -9.0007 -6.8058 -9.744 0.9898 -0.0464 2.348 9.45872 -1.94505 4.403238804 12.7196741456 0.568279813
+C      0.97385761     -0.04706461     -0.04722951
+N      2.42883741     -0.01007976      0.07538241
+C      2.94336447      1.36499389      0.04513931
+C      4.40066717      1.40507923     -0.00529326
+C      5.61148776      1.43783262     -0.07559965
+H      0.64048652     -1.09210813     -0.09786924
+H      0.57540039      0.49216966     -0.93315556
+H      0.51903519      0.40303859      0.84902039
+H      2.85699532     -0.53421750     -0.69115496
+H      2.59785153      1.87917698      0.95993910
+H      2.54441212      1.95802603     -0.80951435
+H      6.68067450      1.46614300     -0.12788469 
+
+11
+-1088.424035026492 7.810771 8.48748 -9.6681 -7.4018 -10.668 0.8098 -0.367 1.419 9.98371 -1.0631 5.413662711 12.068611261 0.460121366
+C      0.96584846     -0.03070293     -0.02229426
+N      2.42549972      0.02882021      0.04560349
+C      2.91117767      1.40771505      0.01274244
+C      4.37390841      1.46270760     -0.00894353
+N      5.53758018      1.51450584     -0.05403672
+H      0.65225972     -1.08163484     -0.06204902
+H      0.52809689      0.50089013     -0.89236207
+H      0.53939091      0.40932019      0.89200117
+H      2.83272780     -0.48768398     -0.73725289
+H      2.56329064      1.92705234      0.92208343
+H      2.53955960      2.00272037     -0.85118203 
+
+14
+-1343.4714821562081 8.725731 9.32675 -9.1854 -6.8843 -10.487 0.9741 0.0009 3.242 9.88415 -3.04344 8.5858073252 14.5511085474 0.179190227
+N      0.95171412      0.00994503      0.07778335
+C      2.41377431      0.02654807      0.02402090
+C      3.13020581      1.07674217      0.91088388
+C      4.18219537     -0.00902475      1.26702836
+C      3.15196107     -1.08127771      0.81823151
+H      0.59540168     -0.78681478     -0.45909454
+H      0.57986201      0.84535162     -0.38469507
+H      2.82674424      0.07486728     -1.00454959
+H      2.49766134      1.31950465      1.77769597
+H      3.47627621      2.00668850      0.43812672
+H      5.05163989      0.02860998      0.59513643
+H      4.54078461     -0.04990662      2.30382537
+H      3.51634305     -1.96007018      0.26777526
+H      2.52516630     -1.41015325      1.66046146 
+
+14
+-1339.9400452608709 8.769891 9.5438 -9.2675 -6.9125 -10.613 1.0152 0.0386 3.341 10.0058 -3.01612 8.7057885774 11.3787903528 0.225170811
+N      3.03947341     -1.03115940     -0.53467911
+C      2.38870750      0.08994683      0.16842666
+C      3.27346757      1.31452848      0.18907544
+C      3.39237232      2.17695436     -1.04217402
+C      2.65160092      2.69219189      0.17073649
+H      2.44299096     -1.86073562     -0.48386598
+H      3.90639339     -1.28014261     -0.04985755
+H      2.08861688     -0.14897435      1.21008710
+H      1.46186861      0.33254192     -0.37851666
+H      4.18021869      1.21201809      0.79403770
+H      2.80680620      1.87605151     -1.91193131
+H      4.36253944      2.61430847     -1.27900772
+H      3.11711690      3.47697904      0.76766178
+H      1.56321719      2.75440138      0.11513719 
+
+10
+-1078.8735596436618 7.612548 8.31369 -10.7592 -8.4861 -11.16 0.9056 -0.2498 1.41 10.75268 -1.04888 5.2922680184 11.0005090668 0.436050715
+N      0.99179401      0.07271152     -0.19144431
+C      2.15616393      0.03077720     -0.10242985
+C      3.58720641     -0.02060009      0.00268745
+C      4.39035536     -0.75139866     -1.06570529
+C      4.43960535      0.74547582     -1.00094811
+H      3.95632041     -0.07718068      1.02799907
+H      3.82570199     -1.21133206     -1.87554122
+H      5.25106735     -1.32071548     -0.71643624
+H      5.33489437      1.22470912     -0.60636921
+H      3.90865081      1.30944330     -1.76659229 
+
+9
+-943.5974617735699 7.119777 7.66562 -10.5925 -8.3286 -11.47 0.7103 -0.5679 1.255 11.13523 -0.90528 5.3494255644 11.4896214382 0.378730892
+N      0.96097476      0.01495360     -0.10585560
+C      2.12775651      0.00778543     -0.08260712
+C      3.56900103     -0.03776494     -0.01591367
+C      4.36824326     -0.77040844     -1.04977334
+N      4.30818259      0.69644332     -1.07293571
+H      3.96204876     -0.03110729      1.00407592
+H      3.83933291     -1.25948995     -1.86917816
+H      5.27420752     -1.27179431     -0.70139979
+H      5.15613266      1.09683258     -0.65869252 
+
+14
+-1342.3167720502902 9.439664 9.95296 -9.3852 -7.0392 -9.547 0.9939 0.0013 1.345 9.03606 -0.79694 6.6876064624 6.6876064624 0.444747554
+N      0.92308375     -0.03892993     -0.13876462
+C      2.38170564     -0.20151620     -0.03573597
+C      3.07835029      1.16603211     -0.08202519
+C      4.55669061      1.07264158      0.15373410
+C      5.50534280      1.43976247     -0.71546801
+H      0.46655221     -0.95051658     -0.05861442
+H      0.68081501      0.31542167     -1.06849651
+H      2.82521998     -0.85185165     -0.81647292
+H      2.59585640     -0.68061031      0.93416636
+H      2.61051266      1.80305617      0.68853249
+H      2.88694417      1.64696733     -1.05671703
+H      4.86099724      0.65878133      1.12327807
+H      5.24995426      1.85701524     -1.69341702
+H      6.56619499      1.34294677     -0.47971932 
+
+12
+-1186.7045602986987 8.901619 9.58933 -9.5589 -7.2181 -9.865 0.9042 -0.1082 2.341 9.50061 -1.95368 4.3708288636 10.7042569184 0.821162667
+N      0.95718547      0.00106018      0.00791888
+C      2.42406608     -0.02954888     -0.04510745
+C      2.97435862      1.40872458      0.00106936
+C      4.42995889      1.46154424     -0.00607081
+C      5.64407212      1.47783337     -0.01431269
+H      0.59372257     -0.94664736      0.12663766
+H      0.58041536      0.34016367     -0.88141941
+H      2.84481519     -0.54117182     -0.93223525
+H      2.78763352     -0.57226258      0.84023881
+H      2.57851732      1.90745435      0.90048099
+H      2.58654794      1.97502498     -0.86388385
+H      6.71457693      1.49871528     -0.01674624 
+
+9
+-966.4948142306131 8.445567 8.15714 -8.6984 -6.6334 -8.864 1.0155 -0.7088 0.008 8.35695 0.47252 4.79267883 12.1058938512 0.442328884
+N      0.97137007     -0.10519426      0.00000000
+C      2.32938140     -0.01165455      0.00000000
+C      3.05221618      1.14268053      0.00000000
+C      4.46483799      1.13265063      0.00000000
+N      5.63796087      1.15470007      0.00000000
+H      0.51470271     -1.00607967      0.00000000
+H      0.38515646      0.72127071      0.00000000
+H      2.85046150     -0.97093389      0.00000000
+H      2.56181282      2.11884044      0.00000000 
+
+11
+-1147.8212465808083 7.60446 7.84297 -8.4224 -6.1687 -8.969 1.0061 0.0859 1.257 8.59571 -0.74113 5.8932033632 12.182182437 0.253375449
+C     -1.23643780      0.00704548     -0.15503945
+C     -0.38158216     -1.25597354      0.09306128
+C      1.01863203     -0.69525525     -0.03364601
+C      0.93806590      0.64066771     -0.08432258
+O     -0.33371016      1.15891745     -0.05751931
+H     -1.66438828      0.01818463     -1.16997723
+H     -2.03926110      0.15834926      0.57737879
+H     -0.60372210     -2.04259746     -0.64356937
+H     -0.55450771     -1.68897892      1.09379850
+H      1.93625390     -1.27575133     -0.01781612
+H      1.72648749      1.38995197     -0.12762849 
+
+9
+-1025.247634913649 7.282843 7.23526 -8.8445 -6.6755 -8.454 1.7332 0.0243 0.481 8.05292 -0.00424999999998 4.6534549506 6.9157902968 0.463428876
+O     -0.35894371     -1.09209296     -0.00428923
+C     -1.14594771      0.03148977     -0.00216831
+C     -0.37234025      1.15708115      0.00107275
+C      0.98995464      0.70773251      0.00097055
+C      0.94205367     -0.65719673     -0.00231482
+H     -2.21580127     -0.14441174     -0.00334795
+H     -0.72949265      2.18216469      0.00325506
+H      1.88702381      1.31902196      0.00305494
+H      1.69737347     -1.43504863     -0.00364300 
+
+13
+-1287.064208742672 7.821403 8.40968 -9.3866 -7.0869 -11.386 0.9818 0.0257 3.189 10.71689 -2.97943 9.211353891 11.5467045926 0.139951016
+C     -0.80139535     -1.01491332     -0.20617521
+C     -1.20112651      0.39396736      0.25446746
+C      0.00588849      1.21623694     -0.20047300
+O      1.15230935      0.34635967     -0.09807830
+C      0.70325154     -1.01472035      0.07449300
+H     -1.33134636     -1.81699190      0.32517548
+H     -0.99165881     -1.13157377     -1.28450544
+H     -1.29575249      0.42505309      1.35116631
+H     -2.14484308      0.74692282     -0.18302598
+H     -0.11081927      1.54477471     -1.25081613
+H      0.18961115      2.10531678      0.42214909
+H      1.27408158     -1.65973950     -0.61144898
+H      0.91516976     -1.33635252      1.11154171 
+
+11
+-1144.2476079201049 7.68722 7.87115 -9.199 -6.7922 -9.111 0.995 0.0966 1.252 8.71843 -0.68494 6.104078752 6.104078752 0.304435326
+C     -0.36484290      1.17510096      0.14034475
+O     -1.19218354     -0.00139521      0.21978343
+C     -0.36712093     -1.17852329      0.12725941
+C      1.03577748     -0.67031733     -0.02059284
+C      1.03707627      0.66585462     -0.01317236
+H     -0.49624862      1.78300631      1.05673576
+H     -0.68606271      1.79624802     -0.71836183
+H     -0.68952513     -1.78948685     -0.73828461
+H     -0.49970488     -1.79632884      1.03684034
+H      1.90325566     -1.32217642     -0.11709315
+H      1.90580930      1.31706803     -0.10243888 
+
+13
+-1272.6479156304179 8.072537 8.91749 -9.2632 -7.0353 -10.957 1.0272 0.0341 3.119 10.64796 -2.83425 8.697555907 11.2388225574 0.287371322
+C      0.99970091      0.00762084     -0.06079041
+C      2.50958213     -0.03072486     -0.00141146
+C      3.32230867     -0.71524185     -1.09952195
+C      3.35221903      0.78323038     -0.94482652
+O      4.51040485      1.48161311     -0.53565576
+H      0.59621252      0.84199188      0.53254374
+H      0.55894594     -0.92578612      0.32196791
+H      0.65114808      0.13546060     -1.09649962
+H      2.92979163     -0.13857866      1.00414435
+H      2.79254270     -1.14428865     -1.95274826
+H      4.21167481     -1.27195268     -0.79681358
+H      2.82863998      1.37825356     -1.69621460
+H      4.99086876      0.92646245      0.10351615 
+
+13
+-1272.4416589050463 7.971212 8.71701 -9.3847 -7.1693 -11.383 1.0146 0.0912 3.067 10.7642 -2.83385 9.2843692464 14.69916023 0.117215548
+C      1.00772311     -0.05954496      0.10241507
+C      2.50032331      0.13117874     -0.03833965
+C      3.22041465      1.15126950      0.87107823
+C      4.13882260     -0.02724371      1.23538886
+O      3.27074866     -0.97296598      0.54557487
+H      0.68268027     -0.96155854     -0.43571958
+H      0.47201868      0.80282215     -0.32281141
+H      0.72659272     -0.16518990      1.16003085
+H      2.77381410      0.25080053     -1.10448046
+H      2.59481793      1.49763871      1.70479794
+H      3.68671380      2.01242912      0.37694250
+H      5.13928416      0.01410828      0.76962720
+H      4.24457600     -0.27517395      2.30291557 
+
+13
+-1274.290740753592 7.972454 8.78949 -9.8523 -7.7199 -11.907 0.9523 0.0248 2.729 11.69875 -2.45182 9.1807417476 11.0266205184 0.316970039
+C      0.82763711     -0.02283275     -0.23423835
+C      2.30220376     -0.12048422      0.08765270
+C      2.66935689     -0.06463591      1.55381300
+C      3.21587979     -0.77461756     -0.86911640
+O      3.16458967      0.66438916     -0.78204801
+H      0.66475316     -0.02762342     -1.31951546
+H      0.40714272      0.90819809      0.17449830
+H      0.27574198     -0.86544369      0.20885205
+H      3.75831382     -0.10235849      1.68461058
+H      2.21913618     -0.90690580      2.10040485
+H      2.29882379      0.86759545      2.00587356
+H      2.81436135     -1.20038725     -1.79592511
+H      4.14370976     -1.23105362     -0.50542171 
+
+13
+-1269.2141159764878 7.899066 8.6281 -9.5032 -7.1921 -11.451 0.9487 0.0013 2.937 10.84971 -2.68829 9.2877044698 14.4143519894 0.130159909
+C      0.91448180     -0.00967423      0.03769358
+C      2.43344666      0.02022468      0.01826055
+C      3.16742328      1.02117919      0.93757990
+O      4.02108583     -0.02963618      1.47733436
+C      3.20694102     -1.04673377      0.82400072
+H      0.52503066     -0.87230968     -0.52363531
+H      0.49170221      0.89811648     -0.41849638
+H      0.53405659     -0.07803422      1.06853670
+H      2.80618284      0.08416132     -1.01499080
+H      2.52367852      1.46127919      1.72220821
+H      3.75530127      1.81898411      0.45664138
+H      3.82380911     -1.76423539      0.26002203
+H      2.58199021     -1.59417150      1.55441506 
+
+13
+-1274.9703781077399 8.065151 9.05353 -9.8204 -7.7067 -11.87 0.9915 0.1094 2.855 11.60394 -2.63005 9.2190534216 10.9281756344 0.342700521
+C      0.99701658     -0.01211775     -0.06872487
+C      2.49532346      0.11322248      0.00450954
+O      3.25555604     -0.52040651     -1.05261129
+C      3.28051808      0.92338825     -0.94478274
+C      4.60000687      1.55421910     -0.58818771
+H      0.51704153      0.70913901      0.60990038
+H      0.67767835     -1.02093896      0.23090990
+H      0.63896528      0.17310599     -1.09037630
+H      2.93443980     -0.03782614      1.00072915
+H      2.71753301      1.42471551     -1.74464833
+H      5.08639511      1.00674614      0.23034283
+H      4.45486082      2.59966873     -0.27658479
+H      5.27717508      1.55174416     -1.45476577 
+
+13
+-1274.8347775413101 8.071065 8.82474 -9.2984 -7.0431 -10.825 0.9684 -0.0511 3.055 10.53051 -3.30719 8.4811755398 10.6864401302 0.347190336
+C      0.94795135      0.02004653     -0.11578405
+C      2.44777883     -0.01477330      0.03329483
+O      2.77819268     -0.06602614      1.41482335
+C      3.29328189     -0.76660012     -0.96338498
+C      3.32566095      0.76069614     -0.91488280
+H      0.66162233      0.05527225     -1.17471707
+H      0.53539310      0.90580411      0.38874293
+H      0.50002148     -0.87617192      0.33769684
+H      3.74662438     -0.03711289      1.49916758
+H      2.80388635     -1.25163781     -1.80976624
+H      4.16826836     -1.29891989     -0.58497312
+H      4.22333773      1.23070920     -0.50742307
+H      2.85811057      1.31944385     -1.72749422 
+
+13
+-1270.0381042250497 7.97635 8.85882 -9.9961 -7.7908 -11.958 0.9611 0.0248 2.87 11.07724 -2.60316 9.2447557194 11.291033062 0.28580483
+C      0.99412872      0.12194593      0.06272667
+C      2.50027010     -0.07773964     -0.13559426
+C      3.26286939      1.22267904     -0.06274596
+C      3.88795302      1.69903509      1.18322334
+O      4.69229304      1.14131892      0.12455174
+H      0.45542344     -0.83093019     -0.03002741
+H      0.57906429      0.81179622     -0.68757999
+H      0.77347363      0.53852263      1.05666144
+H      2.69105569     -0.54254694     -1.11717292
+H      2.90527806     -0.76599341      0.62282849
+H      2.96157178      1.98655999     -0.79387727
+H      3.81347392      1.08024930      2.08517703
+H      4.02186492      2.77280305      1.35386910 
+
+11
+-1125.3555587596018 8.200721 8.55583 -9.7107 -7.4794 -9.759 1.3618 -0.3687 0.961 9.2855 -0.42969 6.5947285498 6.5947285498 0.512685573
+C      2.14668092     -1.14547313     -0.89413986
+C      2.12484991      0.17764947     -0.68757117
+C      3.33763225      0.99551166     -0.50273357
+C      3.37699045      2.42000795     -0.90062790
+O      3.25614856      2.06370928      0.48238244
+H      1.22908653     -1.71497723     -1.04170128
+H      3.08732895     -1.70041578     -0.92596007
+H      1.17481509      0.71995601     -0.64394035
+H      4.28921693      0.44965189     -0.48641227
+H      2.48580778      2.87317644     -1.34951252
+H      4.33588264      2.86168344     -1.19385343 
+
+9
+-965.162155344812 7.578753 8.13623 -10.1092 -7.8076 -10.019 1.8141 -0.0377 1.881 9.66151 -1.50698 4.3678160038 10.5984968604 0.432924408
+C      0.95613754      0.01361117     -0.06291646
+C      2.16836714     -0.04702482     -0.04608286
+C      3.60345025     -0.11713061      0.01704278
+C      4.39266703     -0.81307384     -1.02610233
+O      4.35640974      0.61946304     -0.98222964
+H     -0.11286435      0.07127228     -0.08927560
+H      4.03125073     -0.05968113      1.02443595
+H      3.86044744     -1.27054813     -1.86564379
+H      5.34672448     -1.27106797     -0.74389805 
+
+15
+-1419.9112587038346 8.719997 9.70463 -10.2089 -7.818 -12.123 0.9707 -0.0309 2.988 11.60343 -2.7639 9.9238270414 15.0349267166 0.2272049
+C      1.02844893     -0.12266732      0.02830095
+C      2.55585820     -0.04220166      0.05726556
+C      3.08523175      1.39204747     -0.04642835
+C      4.61007409      1.46562489     -0.02982837
+O      5.11908535      2.80466178     -0.07419155
+H      0.67974293     -1.16271912      0.10171212
+H      0.62547172      0.29958537     -0.90497549
+H      0.58481734      0.43867312      0.86457047
+H      2.97174397     -0.64566107     -0.76796500
+H      2.93057077     -0.50011233      0.98881739
+H      2.69205236      2.00293384      0.78335530
+H      2.71087811      1.85146596     -0.98022186
+H      5.02636661      0.85957565     -0.85806193
+H      4.99931477      1.04205470      0.90915401
+H      4.80778310      3.21063872     -0.90220327 
+
+11
+-1143.4371795813381 8.155445 8.50962 -9.7361 -7.4513 -9.843 1.1667 -0.9122 -0.089 10.13415 0.72677 3.6678654394 6.7152925362 0.450410073
+C      1.73695095     -0.75335072     -0.75089347
+C      2.66927158     -0.24508911      0.06065982
+C      3.21607405      1.14503186     -0.05025956
+C      4.72607219      1.25680569      0.00789198
+O      5.49385163      0.33703876      0.21359612
+H      1.36690524     -1.77123621     -0.62255918
+H      1.31221678     -0.17118699     -1.57304702
+H      3.08491923     -0.85983928      0.86406502
+H      2.84814006      1.78544121      0.77726969
+H      2.87207915      1.65175946     -0.96893498
+H      5.10935913      2.30110535     -0.14068842 
+
+13
+-1278.2608252267173 8.853072 9.38169 -9.5907 -7.3244 -9.379 1.3279 -0.1162 1.2 8.88351 -0.61879 6.382365329 6.382365329 0.40123721
+C      0.89371368      0.00089084      0.06971374
+C      2.38613234      0.03160854      0.18258728
+C      3.17327963      1.06270724     -0.15907383
+C      4.66642814      1.04920844     -0.04493219
+O      5.31496130      1.21950581     -1.32007231
+H      0.56188391     -0.83360589     -0.56864732
+H      0.49919063      0.93572662     -0.35133549
+H      0.42614759     -0.15707862      1.05481775
+H      2.86202021     -0.86978185      0.59050513
+H      2.72911849      1.97477426     -0.57559707
+H      5.00052144      0.11813154      0.45055353
+H      5.02166394      1.89623679      0.56288902
+H      4.93461870      0.55121628     -1.91831824 
+
+11
+-1151.4536889564426 8.699527 8.75993 -9.5018 -7.4057 -10.183 0.0989 -1.7397 -0.811 9.53674 1.37913 3.4394088358 5.3793309876 0.583422381
+C      0.95488840     -0.01327587     -0.02946330
+C      2.43729020      0.08665004     -0.13826947
+C      3.18501461      1.15813520      0.19219008
+C      4.64244135      1.13372114      0.03906142
+O      5.38983025      2.06317448      0.31614918
+H      0.67041609     -0.85133055      0.62687503
+H      0.50848537     -0.23198481     -1.01280826
+H      0.50619101      0.90815722      0.36282044
+H      2.96087369     -0.79798668     -0.52393548
+H      2.74049766      2.07805818      0.58334819
+H      5.04990138      0.16904166     -0.36548782 
+
+13
+-1278.1225010456274 8.640679 9.02872 -9.6596 -7.4341 -9.467 1.2323 -0.1905 1.223 8.88647 -0.63269 6.47578878 6.47578878 0.409718891
+C      0.93833091     -0.00754687      0.03763640
+C      2.44088528     -0.07015892      0.01689649
+C      3.13109226     -1.21848812      0.10065800
+C      3.16369891      1.25171394     -0.09699421
+O      2.88875416      2.13209930      1.00836079
+H      0.58930579      0.68513673      0.81777885
+H      0.49150025     -0.99459311      0.21241454
+H      0.55587589      0.38270499     -0.92003837
+H      2.62942684     -2.18501863      0.18337565
+H      4.22326700     -1.22589906      0.07756849
+H      2.81571879      1.80254333     -0.98589380
+H      4.24939367      1.08133784     -0.20798779
+H      3.18586025      1.67290859      1.81470496 
+
+11
+-1150.8023138895453 8.298919 8.37512 -9.6973 -7.5695 -10.205 0.0056 -1.8709 -0.88 9.80941 1.40805 3.4149587966 5.3622829126 0.459828039
+C      0.97107171      0.02894734      0.02620590
+C      2.46784526     -0.04741891      0.00910797
+C      3.18900937     -1.17346693      0.17195192
+C      3.22153800      1.21197649     -0.20333116
+O      2.70426767      2.30751426     -0.36538700
+H      0.63155530      0.71651158      0.81443678
+H      0.51993796     -0.95706772      0.18982691
+H      0.59792171      0.44374077     -0.92146081
+H      2.72146815     -2.14602451      0.33369810
+H      4.28099791     -1.14175757      0.14561755
+H      4.33594695      1.09139519     -0.20625616 
+
+15
+-1420.693829385989 8.656158 9.44464 -10.1506 -7.8151 -12.055 0.9392 -0.072 2.929 11.57379 -2.66239 9.8669794604 10.4770897692 0.097075132
+C      0.98477240     -0.01141146      0.01216652
+C      2.51714660     -0.01356169     -0.03175009
+C      3.04811184     -0.78000631     -1.24675078
+C      3.04455625      1.42731056     -0.00121254
+O      4.47372496      1.52735288      0.03682859
+H      0.60268070      0.51681390      0.89886234
+H      0.58971329     -1.03726941      0.03518908
+H      0.56823064      0.48333819     -0.88010752
+H      2.88424240     -0.51571628      0.88527905
+H      2.65602576     -0.34368618     -2.17998106
+H      2.74160446     -1.83578172     -1.21571513
+H      4.14470819     -0.73693088     -1.29218811
+H      2.59180111      1.97062590      0.85050733
+H      2.74264729      1.95243615     -0.92274775
+H      4.77071410      1.15813632      0.88702008 
+
+15
+-1425.6910885888337 8.672743 9.38763 -10.037 -7.8077 -11.968 0.8805 -0.1398 2.843 11.40584 -2.5549 9.5932183724 12.7524064496 0.126794795
+C      0.97453214     -0.00621532     -0.01046380
+C      2.50919973     -0.03650457     -0.00039660
+C      3.03199696     -0.70054649      1.27449484
+C      3.05196908     -0.74687411     -1.24818483
+O      3.02300240      1.31876968      0.05093361
+H      0.59908816      0.50093013     -0.91357992
+H      0.60088930      0.53504282      0.86983643
+H      0.55458617     -1.02316820     -0.00109132
+H      2.66799614     -0.16138079      2.16003494
+H      4.13061328     -0.68466153      1.28784580
+H      2.69482995     -1.74457538      1.33546805
+H      2.69979098     -0.24949625     -2.16598049
+H      2.71832121     -1.79458407     -1.28859533
+H      4.15068786     -0.72913708     -1.24583024
+H      2.71091661      1.77859115     -0.74868112 
+
+13
+-1289.6010602779797 8.192869 8.83623 -9.5794 -7.3598 -10.857 1.1545 -0.8426 0.069 9.98882 0.54587 3.7182657484 8.3733697128 0.166694566
+C      0.96406888     -0.00590414     -0.02916457
+C      2.50091285      0.00302789      0.01445438
+C      3.10210250     -0.75698186     -1.17914722
+C      2.98818604      1.43688836     -0.01564578
+O      3.64413488      1.98277187      0.85109635
+H      0.53298841      0.49975120      0.84604354
+H      0.59121901     -1.03996148     -0.04531138
+H      0.59038378      0.49755618     -0.93471495
+H      2.85355091     -0.43922743      0.95908272
+H      2.81814258     -0.28519294     -2.13304416
+H      2.73080286     -1.79158365     -1.19592911
+H      4.19926586     -0.78797231     -1.12607563
+H      2.68831143      1.99907829     -0.94376419 
+
+11
+-1123.4618847789436 8.436944 9.41887 -9.7376 -7.3559 -9.444 0.8882 -0.15 2.205 9.06563 -1.79512 4.1675290194 10.0657042212 0.746125853
+C      0.96428913     -0.01242064     -0.00193531
+C      2.41889579     -0.01232353     -0.00347452
+C      3.63563487     -0.01627143      0.01077156
+C      5.09481494      0.01785271     -0.01261769
+O      5.64206057      1.34712376     -0.03511517
+H      0.57277645      1.01557886      0.02008486
+H      0.56910892     -0.53760559      0.88026670
+H      0.56175179     -0.50587527     -0.89894297
+H      5.46164930     -0.57171834     -0.87469435
+H      5.50226296     -0.45176826      0.89617656
+H      5.14771528      1.84629772     -0.70966967 
+
+9
+-991.45961041976 8.245541 8.77913 -9.9218 -7.8759 -10.313 -0.0457 -1.962 -0.718 9.81868 1.291 3.5164785334 10.5179431562 0.688133477
+C      0.97955821     -0.00415256      0.00020126
+C      2.42828479      0.01858499      0.00012255
+C      3.64787448      0.05876652      0.00004970
+C      5.08513448      0.03573748     -0.00004083
+O      5.79578137      1.03351792     -0.00030498
+H      0.56325270      1.01292286      0.01182930
+H      0.60170707     -0.54366723      0.88122448
+H      0.60176736     -0.52292355     -0.89325144
+H      5.52773954     -0.98956643      0.00015997 
+
+15
+-1422.4561654141955 8.654644 9.44786 -10.0641 -7.7875 -12.002 0.9605 -0.011 2.948 11.46641 -2.68891 9.7572270532 14.6255621404 0.100099845
+C      0.90668136     -0.05481971      0.01585867
+C      2.43390316      0.02653755      0.08563767
+C      2.99989578      1.45247436      0.05015114
+C      2.60733014      2.29862639      1.25999208
+O      4.43129096      1.42784962     -0.11580175
+H      0.57214280     -1.10029033     -0.03990528
+H      0.52226918      0.46268108     -0.87690771
+H      0.42757705      0.39668297      0.89656642
+H      2.87627546     -0.52023444     -0.76184016
+H      2.79262879     -0.47289833      1.00497576
+H      2.63876676      1.94917459     -0.86740502
+H      2.94364167      1.81966516      2.19498458
+H      1.51810588      2.43368558      1.32635471
+H      3.07350487      3.29071492      1.19310764
+H      4.80771614      1.01117060      0.68107125 
+
+13
+-1295.8140369352461 8.121965 8.82793 -9.281 -7.1707 -10.568 1.2001 -0.6029 0.286 9.62867 0.39977 3.752932234 11.8282148056 0.220537201
+C      0.90958139     -0.08999596      0.04577134
+C      2.44527176     -0.02093212     -0.02621235
+C      2.92154298      1.42685391     -0.01659320
+C      3.07023713      2.10721457     -1.36329795
+O      3.15335717      2.01246797      1.03208179
+H      0.57228413     -1.13541245      0.06214388
+H      0.43925203      0.39951453     -0.81975440
+H      0.54421471      0.40269162      0.95742782
+H      2.79950903     -0.53160977     -0.93556196
+H      2.88124237     -0.52041873      0.85027648
+H      3.93715667      1.67613114     -1.88899743
+H      3.22391901      3.18368284     -1.23328820
+H      2.19329161      1.92120245     -2.00096582 
+
+13
+-1289.6992855005549 8.190005 8.95671 -9.7103 -7.446 -10.993 1.3255 -0.7694 -0.017 10.10856 0.62354 3.6756765574 12.358118571 0.213444635
+C      0.93492497     -0.03843780      0.00510683
+C      2.46378666     -0.02351793      0.00446632
+C      3.04110191      1.38905331      0.00891499
+C      4.54642694      1.47015008      0.00694401
+O      5.30089176      0.51426627     -0.00267239
+H      0.54894490     -1.06757955      0.00311759
+H      0.52671891      0.47071054     -0.88162489
+H      0.52743939      0.46698940      0.89429930
+H      2.84971493     -0.56328067     -0.87411023
+H      2.85036956     -0.56888678      0.87933099
+H      2.69154186      1.97087456      0.88395624
+H      2.68944777      1.97692548     -0.86134225
+H      4.95553044      2.51578310      0.01414349 
+
+15
+-1411.0800295762353 8.844139 9.81578 -9.6899 -7.4048 -11.617 1.0056 0.0675 3.228 10.92579 -3.0069 9.3955598912 14.8317136626 0.248238239
+C      0.91630172     -0.04694605      0.02310986
+C      2.44561723     -0.02373997      0.00759333
+C      2.99864195      1.39322076      0.00079220
+O      4.42277616      1.34199299     -0.01557475
+C      4.99678932      2.63932794     -0.01433624
+H      0.53707545     -1.07806960      0.02972692
+H      0.49710056      0.45507606     -0.86232476
+H      0.51511649      0.45976928      0.91421647
+H      2.82719098     -0.55406032     -0.87931793
+H      2.84508125     -0.55228623      0.88765122
+H      2.65040764      1.94806413      0.89799685
+H      2.63005963      1.94784846     -0.88843587
+H      6.08686395      2.51309746     -0.03220104
+H      4.71410132      3.20899792      0.89219068
+H      4.68653635      3.22322718     -0.90257695 
+
+15
+-1414.3814322075375 8.900924 9.86615 -9.5784 -7.3489 -11.529 1.0466 0.0972 3.329 10.84587 -3.17534 9.3534170498 12.6191834926 0.220717088
+C      1.12185633     -0.11912105     -0.16176230
+C      2.62186808     -0.13909827      0.06545194
+O      3.14908785      1.15011050     -0.23876342
+C      4.56015752      1.21618015     -0.04627499
+C      5.03493278      2.61551631     -0.39071526
+H      0.68913370     -1.10295337      0.06744400
+H      0.89116065      0.12670932     -1.20742095
+H      0.64220187      0.63002848      0.48306174
+H      3.10479539     -0.90456823     -0.57662674
+H      2.85464724     -0.40225882      1.11804663
+H      5.06346786      0.46332144     -0.68760764
+H      4.80862641      0.96665726      1.00606287
+H      4.80295019      2.85721922     -1.43705434
+H      6.12180732      2.69431225     -0.24862027
+H      4.54570682      3.35998481      0.25233873 
+
+11
+-1129.1054106550328 9.257186 9.09709 -8.6096 -6.5058 -9.14 1.8132 0.0806 1.057 8.73986 -0.7498 6.0191235448 6.0191235448 0.592018398
+C      1.21506709     -0.47026286     -0.42042682
+C      2.50035520     -0.33605953     -0.08397930
+O      3.14720728      0.87419642     -0.16957111
+C      4.46890981      0.91575784      0.20704023
+C      5.17995131      2.04456770      0.14942089
+H      0.74314625     -1.44606216     -0.33847095
+H      0.62627290      0.37442641     -0.77530482
+H      3.11642573     -1.16636625      0.27546607
+H      4.88226118     -0.03677243      0.55342721
+H      4.74185249      2.97853555     -0.19970064
+H      6.22211076      2.03276930      0.45827923 
+
+11
+-1151.9808401980613 8.192512 8.34745 -9.4293 -7.4171 -10.628 -0.031 -1.8628 -0.773 9.47636 1.28243 3.421269684 5.7933822346 0.510333085
+C      0.94251036     -0.10709970      0.00072795
+C      2.44089998     -0.00394356     -0.21665223
+O      3.10176723     -0.97355298     -0.58316799
+C      3.12287808      1.29751050      0.01872337
+C      2.52061192      2.42775758      0.41920342
+H      0.40274594      0.59637127     -0.65001840
+H      0.68007186      0.13929954      1.04004724
+H      0.62201513     -1.12979825     -0.22308002
+H      4.20030104      1.26862049     -0.16549321
+H      1.44654444      2.47652505      0.60822640
+H      3.08662402      3.34780007      0.57218345 
+
+9
+-989.7100966647492 7.748633 8.14717 -9.9131 -7.9195 -10.755 -0.1357 -2.0466 -0.625 9.73593 1.19187 3.5424536004 11.7608284146 0.360722677
+C      0.98317149      0.00666915     -0.00479893
+C      2.49798667     -0.05653314      0.00280108
+O      3.11315858     -1.11690540      0.00977556
+C      3.20401061      1.21439218      0.00023337
+C      3.79338391      2.27814186     -0.00192132
+H      0.60195353      1.03367851      0.01056244
+H      0.60537729     -0.54467723      0.86728102
+H      0.61686004     -0.51090831     -0.90238799
+H      4.32850787      3.20673238     -0.00296522 
+
+13
+-1276.2941269697587 8.693956 9.15003 -9.8953 -7.6529 -9.8 1.4592 -0.166 1.193 9.27665 -0.65151 6.761886475 6.761886475 0.437159545
+C      0.88755455     -0.11799776     -0.09186209
+C      2.39759351      0.07573323      0.05622766
+O      3.12366255     -0.74963877     -0.88255201
+C      2.79834388      1.52133184     -0.07759637
+C      3.43334577      2.22929225      0.86161881
+H      0.34261880      0.42561710      0.69311559
+H      0.63715044     -1.18545232     -0.02487108
+H      0.53816733      0.26074948     -1.06610884
+H      2.72082943     -0.29488061      1.04231365
+H      2.85406169     -0.48096252     -1.78028470
+H      2.53442678      1.99899776     -1.03072360
+H      3.70920817      1.78187868      1.82010111
+H      3.70057709      3.27607163      0.70906186 
+
+11
+-1119.0987902622928 8.142683 8.73733 -10.3029 -7.8967 -10.016 1.0422 -0.1257 2.077 9.63414 -1.70422 4.3762346532 10.80785962 0.553719861
+C      0.96767428     -0.05364945      0.00668510
+C      2.50042059     -0.00955284     -0.03167063
+O      3.02992537     -0.72847486     -1.16178287
+C      3.00175091      1.36811872      0.01168544
+C      3.39407536      2.51725406      0.00277020
+H      0.58875841      0.41559282      0.92512601
+H      0.63510259     -1.09916230     -0.02724434
+H      0.54475817      0.48442958     -0.85353091
+H      2.89628213     -0.55253884      0.84293531
+H      2.88739094     -0.17170770     -1.94919910
+H      3.75371125      3.52614079      0.00323580 
+
+13
+-1273.89329599958 8.681158 9.16425 -8.897 -6.7006 -9.47 0.9867 0.0724 1.207 9.01847 -0.73924 6.4109688992 12.520912189 0.399123365
+C      0.95384060     -1.09045373     -0.01693188
+C      2.05327909     -0.04842259      0.02166699
+O      1.43594017      1.24814016      0.12106705
+C      2.27993982      2.31591149      0.17041324
+C      3.62226627      2.32228182      0.13859891
+H      1.39406699     -2.09410861     -0.09411647
+H      0.29638465     -0.93366695     -0.88273834
+H      0.34360899     -1.04956616      0.89540120
+H      2.67290845     -0.08206888     -0.89210209
+H      2.71875298     -0.19692513      0.89064072
+H      1.70032657      3.23892787      0.24461556
+H      4.23084400      1.42333339      0.06563775
+H      4.13621142      3.27984731      0.18919735 
+
+13
+-1263.3188986301166 8.11861 8.89467 -9.4639 -7.2403 -11.143 1.0565 0.1484 3.397 10.66516 -3.10393 8.947077732 11.6018535654 0.311150478
+C      2.54502822     -0.87320176     -0.87314006
+O      2.00300540      0.30386795     -0.27724395
+C      3.00722314      1.22484701      0.06657845
+C      3.53361663      2.16844077     -0.99039397
+C      2.60303872      2.66282786      0.10562787
+H      1.69751860     -1.52597486     -1.11677111
+H      3.22045853     -1.40316317     -0.17612630
+H      3.10484307     -0.63780262     -1.79608692
+H      3.71278354      0.85970074      0.82472113
+H      3.10394172      2.07151697     -1.98797841
+H      4.58465856      2.45806121     -0.96183608
+H      3.00739577      3.29271820      0.89786886
+H      1.57459810      2.88063170     -0.18271953 
+
+13
+-1270.4579779599514 9.008233 9.52737 -8.3011 -6.208 -8.957 0.9783 0.0975 1.358 8.53492 -0.8218 6.1020453816 6.1020453816 0.361610688
+C      1.16905066     -0.06314938     -0.59438721
+O      2.53513651     -0.09661990     -0.17848626
+C      3.14800854      1.13134524     -0.15530797
+C      4.47381461      1.26904260     -0.01932674
+C      5.16232141      2.59683666      0.06538548
+H      0.78726361     -1.08598391     -0.49545972
+H      1.07765985      0.25888149     -1.64547954
+H      0.57222900      0.60910256      0.04597590
+H      2.47671175      1.99694665     -0.22886590
+H      5.08394205      0.36324263      0.04317458
+H      4.44781481      3.42835409     -0.02140169
+H      5.91351067      2.71470089     -0.73248081
+H      5.69780651      2.71535038      1.02170990 
+
+15
+-1412.9025066332003 8.748186 9.53046 -9.5262 -7.3491 -11.515 1.0028 0.0572 3.158 10.79796 -2.88534 9.2619525776 10.7661507296 0.086960789
+C      1.02040405     -0.09232543      0.13655315
+O      2.41835820      0.06842965      0.32256319
+C      2.87773775      1.41983106      0.13974379
+C      2.47885743      2.32544929      1.30668049
+C      4.38903900      1.33790276     -0.03184851
+H      0.81477475     -1.16931683      0.19375158
+H      0.69888296      0.28071235     -0.85517043
+H      0.42354181      0.41876721      0.91373298
+H      2.42571040      1.81501708     -0.79466734
+H      2.91566289      1.94923314      2.24368344
+H      1.38860782      2.38178559      1.42990462
+H      2.84488713      3.34864733      1.13890745
+H      4.85158720      0.92612147      0.87724001
+H      4.81235634      2.33501872     -0.21576338
+H      4.64586226      0.68458662     -0.87632103 
+
+13
+-1271.0080677377125 8.7596 9.09197 -8.5291 -6.407 -9.096 0.9015 -0.0399 1.348 8.56827 -0.80818 6.1997711468 6.1997711468 0.347622041
+C      1.14438864      0.17892943     -0.80066498
+O      2.37274679      0.14075963     -0.07026374
+C      3.10885089      1.30918438      0.01506545
+C      2.36651600      2.61534931      0.01169758
+C      4.43857226      1.20100920      0.17045074
+H      0.74169904     -0.83982872     -0.75558064
+H      1.30990421      0.45180482     -1.85658613
+H      0.41172344      0.87029964     -0.35478463
+H      1.60113223      2.64014639      0.80330278
+H      1.85754209      2.80348415     -0.94575955
+H      3.06942530      3.43785626      0.18631414
+H      4.92197910      0.22509030      0.16544259
+H      5.04702000      2.08810520      0.33014640 
+
+13
+-1264.441606315557 8.829079 9.38761 -9.7246 -7.4258 -9.716 1.6339 -0.0841 1.302 9.20633 -0.76864 6.7773103334 6.7773103334 0.440648635
+C      2.21884711     -0.85535489     -0.21864043
+O      3.45190889     -0.15181506     -0.25764891
+C      3.26953691      1.23996641      0.00934280
+C      4.60434203      1.91496414      0.04705354
+C      4.90981346      3.01625466     -0.64575776
+H      2.44216244     -1.90960848     -0.42452662
+H      1.51130970     -0.48019663     -0.98280312
+H      1.73574897     -0.77405661      0.77417293
+H      2.76026179      1.36016445      0.99042594
+H      2.61828280      1.70339567     -0.75936628
+H      5.34404467      1.45826616      0.71254114
+H      4.18975195      3.48176494     -1.32371879
+H      5.88614928      3.49411523     -0.55436443 
+
+11
+-1105.5910792107247 8.314969 9.04044 -9.9675 -7.5906 -9.894 1.0489 -0.0748 2.294 9.79978 -1.89853 4.4156745998 12.7588165258 0.429696658
+C      0.98450924     -0.06018276      0.03014630
+O      2.40653481     -0.04056709      0.02941718
+C      2.89597415      1.30071799      0.00063387
+C      4.35170610      1.30944290      0.00059995
+C      5.56332303      1.35473180     -0.00024526
+H      0.68261082     -1.11420901      0.05261717
+H      0.56984848      0.41605403     -0.87858734
+H      0.57023542      0.45427482      0.91797531
+H      2.52270381      1.86498222      0.88042735
+H      2.52286572      1.82667518     -0.90265001
+H      6.63372843      1.38696991     -0.00082454 
+
+13
+-1277.4652906186216 8.012013 8.69715 -9.9583 -7.6245 -11.606 0.9835 -0.0253 3.036 11.26666 -2.83034 9.474328197 14.6969656778 0.182683921
+O      0.94338970      0.01697766      0.07775814
+C      2.36595327     -0.02051073      0.03951495
+C      3.05266344      1.05439993      0.90220978
+C      4.13569970     -0.00089740      1.26210752
+C      3.12946716     -1.10886961      0.84416758
+H      0.60329166     -0.62570440     -0.56861121
+H      2.73181197      0.02149243     -1.00336343
+H      2.41684243      1.28351908      1.77008426
+H      3.35866782      1.99132519      0.41803391
+H      4.99667616      0.04794102      0.58043246
+H      4.50558010     -0.01535494      2.29511881
+H      3.50714482     -1.99015377      0.30671459
+H      2.51619176     -1.43266446      1.69784263 
+
+11
+-1151.6302370974354 7.526477 8.01608 -9.3364 -7.2157 -10.523 1.0397 -0.85 0.312 9.70421 0.42262 3.7439804448 13.453224916 0.189125504
+O      1.11887503     -0.00762386      0.46953048
+C      2.28889162     -0.00925346      0.16403103
+C      3.32604141      1.09943636     -0.08556586
+C      4.32016769     -0.00411748     -0.56066266
+C      3.29951868     -1.11849152     -0.17552978
+H      3.61336244      1.61666783      0.84213822
+H      3.01977970      1.85756572     -0.82027688
+H      4.52971007      0.03698948     -1.63665313
+H      5.27125601     -0.03756349     -0.01627717
+H      2.97586608     -1.80691239     -0.96905133
+H      3.57348128     -1.71605720      0.70683706 
+
+13
+-1272.9681445387353 8.085377 8.92315 -10.2006 -7.7692 -11.573 1.0279 0.0072 3.194 11.28529 -2.88824 9.4738570502 11.9863961444 0.252294996
+O      3.01521442     -0.96252952     -0.62389515
+C      2.36388848      0.10142877      0.09066056
+C      3.26980304      1.30001205      0.10995842
+C      3.30133343      2.23140058     -1.07744444
+C      2.65948134      2.67937017      0.21351037
+H      2.45906786     -1.75586805     -0.54342530
+H      2.13489384     -0.21179835      1.12726564
+H      1.40745066      0.37532587     -0.39712883
+H      4.21658342      1.14203228      0.63224068
+H      2.64756607      1.99128705     -1.91721283
+H      4.25822541      2.67075461     -1.35922517
+H      3.17652758      3.42218353      0.82102701
+H      1.57081444      2.75209100      0.24272903 
+
+11
+-1145.6263753908204 7.723683 8.23302 -9.5768 -7.4183 -10.864 1.1376 -0.7772 0.017 9.88212 0.58745 3.7260768664 12.1392956796 0.281742261
+O      2.13122467     -0.91740342      0.47358566
+C      2.13056611      0.18653366     -0.04400238
+C      3.24074056      1.15750017      0.01335492
+C      3.45046217      2.05839932     -1.20288759
+C      2.87582544      2.64107289      0.04103818
+H      1.23773372      0.54895036     -0.62654905
+H      4.12001724      0.83374795      0.57099298
+H      2.78558598      1.90316740     -2.05402512
+H      4.48529237      2.27768280     -1.46277349
+H      3.50091792      3.27583498      0.66787815
+H      1.81302381      2.88843388      0.05078776 
+
+9
+-986.278607614983 7.663605 8.1778 -9.9545 -7.6911 -10.325 0.8342 -1.2689 -0.203 10.18962 0.82724 3.6551320772 10.846419266 0.746573855
+O      1.21071425     -0.29284661      0.61655808
+C      2.22799879     -0.06413821     -0.00117746
+C      3.01361322      1.24557281      0.12748569
+C      4.44790953      1.05685491     -0.01363439
+C      5.63439576      0.83504702     -0.13722620
+H      2.65702212     -0.79709240     -0.72817108
+H      2.74674965      1.72070644      1.08323131
+H      2.63977825      1.90870113     -0.67504821
+H      6.68628842      0.65891491     -0.23514775 
+
+13
+-1274.828429357936 8.696416 9.22291 -9.669 -7.3367 -9.497 1.0609 -0.1249 1.404 8.9759 -0.86608 6.6913632382 6.6913632382 0.448932768
+O      2.79455259     -0.94255919     -1.19396780
+C      2.37303749     -0.28332486      0.00942941
+C      3.02037723      1.10087884      0.04735505
+C      4.51772329      1.05567310      0.15490787
+C      5.22941224      1.63100267      1.13086378
+H      2.44602531     -1.84900859     -1.17844202
+H      2.67849693     -0.86006326      0.90205485
+H      1.27265661     -0.17264603      0.02964656
+H      2.59631712      1.66504783      0.89330540
+H      2.72902971      1.62830247     -0.87822068
+H      5.03256005      0.49856861     -0.63421978
+H      4.74538445      2.19390322      1.93407938
+H      6.31805696      1.56392519      1.15999797 
+
+11
+-1119.1481868705446 8.159373 8.92274 -10.2506 -7.7578 -9.956 0.9406 -0.1072 2.252 9.5803 -1.89119 4.3750691848 10.6172435436 0.781954136
+O      0.93127735      0.09808867      0.01487064
+C      2.35884745     -0.01138092      0.01606605
+C      2.91363867      1.41697188      0.00019497
+C      4.36926175      1.44676201     -0.00012074
+C      5.58314303      1.44439631     -0.00010241
+H      0.56075990     -0.80001675      0.02492390
+H      2.72294529     -0.55725213     -0.87249824
+H      2.72297332     -0.53738177      0.91652313
+H      2.52399292      1.95729471      0.87838880
+H      2.52400064      1.93766659     -0.88977769
+H      6.65385969      1.45510141     -0.00021840 
+
+10
+-1002.5287265094644 6.954757 7.06512 -9.3228 -7.1011 -10.372 1.6308 -0.2817 0.422 10.00928 0.12499 5.4376664006 12.05453885 0.184719181
+C     -1.27120895     -0.01179942     -0.16005870
+C     -0.40270687     -1.24925710      0.09062357
+C      0.96381540     -0.62238137     -0.01351380
+N      0.96394603      0.66132907     -0.06447491
+O     -0.35696465      1.13411919     -0.04324821
+H     -1.69404342      0.00191938     -1.17689228
+H     -2.07208888      0.13537840      0.57484786
+H     -0.56157641     -2.04413295     -0.65110008
+H     -0.54857349     -1.69248960      1.08967831
+H      1.91765125     -1.14838559     -0.00064176 
+
+8
+-882.1876121995504 6.532384 6.45991 -9.9753 -7.8344 -9.717 1.0924 -0.783 -0.299 9.16786 0.76138 4.999983422 6.9868714706 0.401980649
+O     -0.38451459     -1.07428908     -0.00224012
+C     -1.15622098      0.03534745     -0.00200744
+C     -0.38010801      1.15781600      0.00051064
+C      0.94365821      0.63686244      0.00182037
+N      0.97124368     -0.68219031      0.00036498
+H     -2.22849110     -0.13530321     -0.00380353
+H     -0.70046705      2.19330648      0.00127382
+H      1.88788984      1.17658022      0.00388128 
+
+8
+-905.3908452169933 6.48186 6.46546 -9.5593 -7.3651 -8.968 1.4613 -0.4078 0.099 8.61512 0.44162 4.602918257 13.9994080432 0.470928887
+O     -0.35922942     -1.10096174     -0.00404454
+C     -1.15315273      0.02489904     -0.00208876
+C     -0.33794590      1.11461326      0.00077808
+N      0.99141142      0.69596036      0.00067165
+C      0.91542663     -0.60181359     -0.00221477
+H     -2.22422070     -0.13731550     -0.00308464
+H     -0.60855174      2.16577281      0.00289847
+H      1.72092244     -1.32927463     -0.00331549 
+
+12
+-1140.1780826604404 8.047475 8.38453 -9.3076 -7.1515 -10.294 0.9484 0.0069 0.662 9.7218 -0.01839 5.571000945 12.0013736532 0.327730098
+C      1.00062526      0.02646368     -0.00446410
+C      2.50063386      0.01129152     -0.00286847
+C      3.23492704     -1.29949175     -0.00662148
+N      3.08060067      1.16292510      0.00101645
+O      4.50143002      1.01829042      0.00038838
+H      0.62372179      1.05595058      0.00152257
+H      0.60775679     -0.50512884      0.87677196
+H      0.61003480     -0.49357080     -0.89364957
+H      2.53847557     -2.14607258      0.00179592
+H      3.90015758     -1.36995766      0.86674008
+H      3.88283415     -1.37456924     -0.89270174
+H      4.78431246      1.94919957      0.00472999 
+
+12
+-1135.1646805951975 8.238326 8.57123 -9.6122 -7.4125 -10.617 1.4208 -0.2454 0.502 10.14647 0.07616 5.5175381818 6.6259730218 0.235589275
+C      0.96052098     -0.12607453     -0.07652338
+C      2.47595173      0.06778643      0.08789008
+C      2.87443084      1.50967150      0.06251166
+N      3.45912107      2.03128401      1.07684715
+O      3.74240801      3.40533424      0.85162113
+H      0.70634183     -1.19494568     -0.09698129
+H      0.59836321      0.32298140     -1.01326734
+H      0.41295957      0.34044271      0.75436601
+H      2.99893832     -0.45519398     -0.73191703
+H      2.82605929     -0.37606823      1.03110980
+H      2.64887462      2.11695679     -0.82760350
+H      4.17607052      3.65696534      1.68666671 
+
+12
+-1188.9171554612117 7.70797 8.2402 -9.4342 -7.3662 -10.809 0.7297 -0.2734 0.546 9.72152 0.06721 4.3564092918 6.7958834362 0.128017464
+C      0.92078587     -0.25871106      0.27725023
+C      2.29412247      0.10141612     -0.28433385
+C      2.56832532      1.60596815     -0.24378252
+N      3.45271892      2.05788374     -1.19174095
+O      2.06281330      2.35832750      0.58546778
+H      0.80019146     -1.34847072      0.34176306
+H      0.11758689      0.13877163     -0.35915574
+H      0.79371791      0.17254497      1.27824477
+H      2.41535461     -0.27960784     -1.31125590
+H      3.08614017     -0.37585122      0.31815383
+H      3.87427068      1.44159900     -1.87607838
+H      3.72118240      3.03654973     -1.17342232 
+
+10
+-1038.3021163017931 8.336255 8.06673 -8.9466 -6.9719 -9.449 1.2818 -0.5833 -0.046 8.95388 0.61861 4.2744297486 5.3449248726 0.418993692
+C      0.90133528     -0.39521415      0.02209483
+C      2.15227161      0.07530779     -0.08609191
+N      2.50106449      1.42330286     -0.15842234
+C      3.78919858      1.89945317     -0.26888170
+O      4.08122662      3.08401184     -0.33152913
+H      0.72776106     -1.46728706      0.07188374
+H      0.03277990      0.26340713      0.06290940
+H      3.01273682     -0.59646472     -0.12592304
+H      1.76645767      2.13181301     -0.12951438
+H      4.53882796      1.07572014     -0.29485546 
+
+14
+-1297.438824027463 8.196552 8.74083 -9.6943 -7.3844 -10.763 0.8029 -0.2099 2.972 10.08636 -2.71739 8.5546372448 11.0160693098 0.091510599
+C      0.94424279     -0.00603943     -0.03714249
+C      2.47095106      0.04403774      0.05195479
+N      3.18441472     -0.62277318     -1.05859803
+C      2.99766262      1.48478298      0.11108976
+O      4.41750227      1.50925804      0.14968814
+H      0.47603175      0.50205033      0.82025917
+H      0.58195921     -1.04424314     -0.05130385
+H      0.58937346      0.48969579     -0.95506957
+H      2.80264830     -0.46101177      0.97516807
+H      2.75380517     -0.36555734     -1.95259713
+H      3.10886124     -1.63862064     -0.98014433
+H      2.62676334      1.99246842      1.01493384
+H      2.61142316      2.04497492     -0.76893923
+H      4.67320091      0.76636727     -0.44178914 
+
+12
+-1179.703120489467 7.818896 8.21316 -9.5894 -7.476 -10.637 0.7694 -0.2322 0.363 9.94434 0.17675 4.3352820774 9.4339211596 0.190234742
+C      0.91117409     -0.27744859      0.17964457
+C      2.37873583      0.08876969     -0.04326533
+N      2.64012341      1.51850089      0.09838740
+C      2.83223088      2.35364757     -0.96605432
+O      2.85307583      2.01266455     -2.14422573
+H      0.76701969     -1.36077569      0.05950246
+H      0.26954272      0.23834108     -0.54760447
+H      0.57633913     -0.00418433      1.19133542
+H      2.69032289     -0.17431823     -1.06295719
+H      3.02697432     -0.45901378      0.65848206
+H      2.60136395      1.93894670      1.02311530
+H      2.98293727      3.40881013     -0.63824018 
+
+14
+-1298.78855559911 8.254236 8.85135 -9.6298 -7.317 -10.819 0.8319 -0.1935 3.07 10.17137 -2.80974 8.718137583 11.0613985914 0.108021227
+C      0.87710539     -0.01773133     -0.00242664
+C      2.39628916      0.01232946     -0.03041480
+O      2.84724990     -0.55363801     -1.26175046
+C      2.96198468      1.43171550      0.10962997
+N      4.41708618      1.38474397     -0.12273250
+H      0.49455787      0.37673560      0.95037260
+H      0.51596114     -1.04820175     -0.11874282
+H      0.46744476      0.58423923     -0.82705757
+H      2.78175136     -0.59461122      0.81989413
+H      3.75914871     -0.19841944     -1.35883827
+H      2.67116187      1.85811613      1.08873411
+H      2.51658661      2.05941016     -0.67884787
+H      4.90654835      1.07747459      0.72120668
+H      4.78159402      2.30893712     -0.35590656 
+
+12
+-1123.9298122722214 8.370667 8.60188 -9.4678 -7.3341 -10.813 1.4712 -0.4744 0.341 10.40281 0.15526 5.3265129516 6.5954848644 0.364829751
+C      0.91053247     -0.21379348     -0.24628850
+C      2.41324040     -0.02963169     -0.18543494
+O      2.66025995      1.34612302      0.18340791
+N      4.04382614      1.55922293      0.26193392
+C      4.31266960      2.76716377      0.59608067
+H      0.67660745     -1.25077660     -0.52298716
+H      0.46112001      0.45267491     -0.99523613
+H      0.44784614     -0.00408175      0.72791583
+H      2.88773248     -0.22965659     -1.15977514
+H      2.87371729     -0.68948365      0.56745079
+H      5.37041036      3.01690625      0.67887394
+H      3.54294770      3.52283288      0.79199882 
+
+14
+-1288.5640919519349 8.287609 8.86558 -9.2394 -7.0034 -10.298 0.905 -0.0863 3.238 9.59098 -2.98972 8.2058646268 13.5980033682 0.108163143
+C      1.80181428     -0.41577091      0.67010557
+N      3.15691355      0.04452684      0.36553569
+C      3.21105540      1.41585754     -0.15433461
+C      4.66563167      1.87703508     -0.16907323
+O      5.25511137      1.73225431      1.11926960
+H      1.83577037     -1.45979267      1.01039207
+H      1.10002312     -0.34977709     -0.18594431
+H      1.38900686      0.19044484      1.49014913
+H      3.58054953     -0.58675956     -0.32080663
+H      2.64042185      2.05387599      0.54054112
+H      2.75695164      1.52979913     -1.16162851
+H      4.72858038      2.93890194     -0.45117669
+H      5.23104907      1.29728888     -0.92949934
+H      4.85781090      0.90379568      1.46544014 
+
+12
+-1173.7941501252212 7.857436 8.17574 -9.2201 -7.1611 -10.184 0.7684 -0.1843 0.424 9.81607 0.15673 4.3541155508 12.8076794084 0.275852183
+C      1.02407119      0.02232556     -0.17607347
+N      2.46143301      0.01958137      0.01771150
+C      3.15214294     -1.25953015     -0.00604741
+C      3.16203550      1.17885750      0.22074023
+O      4.37402316      1.26253358      0.39351792
+H      0.65361497      1.05511826     -0.13826021
+H      0.51716831     -0.56024633      0.61066902
+H      0.75635790     -0.40976491     -1.15409782
+H      2.76402883     -1.92462658      0.78183203
+H      4.21767349     -1.06918986      0.16573740
+H      3.01857369     -1.75481285     -0.98102489
+H      2.48885700      2.06784441      0.21141571 
+
+12
+-1181.5742318056953 7.733748 8.19708 -9.2675 -7.2244 -10.596 0.7529 -0.2218 0.552 9.64801 0.0733 4.3616662982 13.0291556002 0.196682994
+C      0.86650220      0.15553426      0.12572490
+N      2.31647488      0.13062965      0.01417218
+C      3.15054984      1.21359973     -0.14261845
+C      2.50064117      2.58168973     -0.02434231
+O      4.35590470      1.06497706     -0.34867724
+H      0.51693788     -0.84886514      0.39306595
+H      0.37033524      0.45003589     -0.81487447
+H      0.53994816      0.84092425      0.92059091
+H      2.77887501     -0.76399029     -0.13110567
+H      1.68225270      2.70624260     -0.74834847
+H      3.26756197      3.34012047     -0.20766001
+H      2.07795625      2.73227179      0.98021269 
+
+12
+-1153.8830403274192 7.83822 8.41802 -9.4041 -7.122 -10.673 1.0442 -1.0314 -0.035 10.13812 0.62976 3.6620876918 13.6339469096 0.168088016
+C      0.95961221     -0.08023315      0.01054261
+N      2.41341291      0.01770829     -0.11661881
+C      2.90073466      1.39076853     -0.12707433
+C      4.41142378      1.43797974      0.00608959
+O      5.11941684      2.29969690     -0.47926820
+H      0.66112634     -1.13654963     -0.03188761
+H      0.39356252      0.47374661     -0.76563650
+H      0.65478684      0.31226128      0.99267282
+H      2.70826708     -0.45091007     -0.97669888
+H      2.50927698      1.89726590      0.77649965
+H      2.59205549      2.00947531     -0.99394576
+H      4.83672434      0.59847030      0.61515541 
+
+14
+-1284.1746405970753 8.376558 9.02709 -9.2956 -6.9227 -10.552 1.0474 0.0763 3.364 9.91726 -3.12447 8.717331674 12.1164822556 0.099559422
+C      1.33241278     -0.28793865     -0.07150424
+O      2.70655394     -0.01653675      0.15729696
+C      3.02492976      1.35904047     -0.06365682
+C      4.52181071      1.53520218      0.11279809
+N      5.24504345      0.81279001     -0.94192453
+H      1.17804237     -1.35945478      0.10921630
+H      1.03943045     -0.05063595     -1.11175881
+H      0.68463390      0.28991273      0.61535276
+H      2.47528449      1.99738287      0.65717571
+H      2.73131841      1.65370108     -1.09065935
+H      4.78478289      1.22573540      1.14490419
+H      4.74972405      2.60955652      0.02403390
+H      5.02248206     -0.18328796     -0.86397179
+H      6.25294074      0.89780284     -0.79563237 
+
+12
+-1126.4246167252854 8.456853 8.70194 -9.1547 -7.037 -10.424 1.6914 -0.1388 0.545 9.9653 0.03713 5.4433325608 13.3154020784 0.339770081
+C      1.59430883     -0.43793225     -0.48719784
+O      3.00314819     -0.25675751     -0.31036550
+N      3.26797491      1.12945814     -0.21762712
+C      4.52258068      1.34909365     -0.05785334
+C      5.02087147      2.74997922      0.06354078
+H      1.44797153     -1.52318636     -0.55222602
+H      1.24654739      0.04261493     -1.41453947
+H      1.03263880     -0.03544970      0.36974660
+H      5.23251507      0.51074941     -0.00998128
+H      4.18916448      3.46156821     -0.00432957
+H      5.74960562      2.97428087     -0.73096707
+H      5.54016303      2.89677139      1.02342983 
+
+12
+-1148.1735058792756 7.642735 8.30367 -9.2773 -6.9486 -10.441 1.0282 0.0682 3.379 9.92718 -3.06619 8.5162759764 11.8642947316 0.136572236
+N      0.98896131     -0.01770883     -0.20194275
+C      2.40727412     -0.09086602      0.06915947
+C      3.28101799     -0.78212888     -0.96335703
+C      3.32023680      0.72055976     -0.80111932
+O      4.41840472      1.33181615     -0.15711739
+H      0.56480782      0.74712951      0.32883878
+H      0.52669983     -0.88047900      0.09456069
+H      2.76033405     -0.19081689      1.10417625
+H      2.78869555     -1.18002865     -1.85123552
+H      4.13338255     -1.34866903     -0.58755278
+H      2.83401443      1.31717479     -1.58020642
+H      5.16924083      1.31204709     -0.77638397 
+
+12
+-1141.6927280998627 7.475526 7.99776 -9.5298 -7.1719 -10.827 0.8389 -0.2094 3.084 10.22769 -2.85427 8.6057690712 14.8540063454 0.145748827
+N      0.92881885      0.00723844      0.10315198
+C      2.38633458      0.02641615     -0.00527048
+C      3.10834880      1.02744443      0.91886769
+O      3.94500814     -0.02648015      1.47969393
+C      3.12942824     -1.04103579      0.82311842
+H      0.55283438     -0.78433380     -0.42698136
+H      0.53837785      0.84484786     -0.33850303
+H      2.77179204      0.07822797     -1.04084641
+H      2.43643200      1.46417800      1.67850959
+H      3.71232754      1.81572788      0.44319237
+H      3.74911061     -1.76947528      0.27738609
+H      2.46715696     -1.55952572      1.53847121 
+
+12
+-1141.0251846962565 7.546435 8.24894 -9.6276 -7.2436 -10.898 0.9205 -0.1243 2.922 10.29411 -2.65787 8.663459757 11.9583753084 0.197574774
+N      1.00848213      0.17567737      0.10653356
+C      2.44036274     -0.04893333     -0.15357849
+C      3.19469794      1.25825129     -0.05650596
+C      3.86126388      1.68280270      1.18158004
+O      4.62725019      1.16118728      0.07233272
+H      0.52416979     -0.72297855      0.15458085
+H      0.58622004      0.67874672     -0.67852729
+H      2.66116813     -0.50762255     -1.13858469
+H      2.83347056     -0.73234641      0.61431120
+H      2.86478066      2.04536840     -0.74960468
+H      3.80938218      1.03138495      2.06054600
+H      4.00656176      2.74878213      1.38498675 
+
+14
+-1292.2582738039534 8.259279 8.94969 -9.3838 -6.9988 -10.693 0.9674 -0.0486 3.099 10.0591 -2.85142 8.7555317606 15.0411508138 0.162143824
+N      1.14270700     -0.17618795      0.08347329
+C      2.61190923     -0.13261355      0.03226992
+C      3.10664286      1.31136411     -0.04927308
+C      4.62647519      1.44051755      0.02212226
+O      5.18539360      0.96382375      1.25538117
+H      0.82746486     -1.14058971      0.20954349
+H      0.75327220      0.13307029     -0.81155347
+H      3.05333143     -0.70666217     -0.80956404
+H      2.99717949     -0.58727008      0.95764792
+H      2.63837466      1.89584112      0.76205118
+H      2.76691457      1.77097601     -0.99532748
+H      4.92265719      2.48978265     -0.16087439
+H      5.10064148      0.82616758     -0.75950041
+H      4.83035622      1.51942040      1.97188365 
+
+10
+-1035.1117543060027 8.662908 8.07349 -8.7346 -6.7669 -9.291 0.7683 -0.9878 -0.652 9.17378 1.25356 3.5251203576 4.6994165608 0.506134074
+N      0.98613733     -0.04964709      0.09805274
+C      2.34028260      0.06101643      0.01128419
+C      3.07201531      1.20965743      0.03139852
+C      4.51600108      1.13959123     -0.02941096
+O      5.28204109      2.10202965     -0.02275182
+H      0.53654155     -0.93570032     -0.09504479
+H      0.40365178      0.77915909      0.04098567
+H      2.86666376     -0.89715678     -0.05003698
+H      2.60762206      2.19723197      0.09244081
+H      4.92219344      0.09164838     -0.08876737 
+
+10
+-1043.8154806295988 7.773428 7.77822 -9.5526 -7.5307 -10.522 0.5617 -1.2753 -0.356 9.58942 0.8352 4.114537403 5.9067426344 0.374322314
+N      1.01178582     -0.02767660      0.24821958
+C      2.28028833     -0.01449329     -0.28240384
+O      2.82080012     -1.03234680     -0.71353356
+C      2.93121400      1.33449867     -0.28582662
+C      4.16662636      1.49560325     -0.77233402
+H      0.56226341      0.80706817      0.60475802
+H      0.51413131     -0.91118460      0.28077850
+H      2.37238005      2.18395443      0.11891890
+H      4.70385111      0.63232672     -1.17066845
+H      4.65707949      2.46873005     -0.78348852 
+
+8
+-881.9277142584448 7.297055 7.47968 -9.946 -7.9161 -10.728 0.6969 -1.2495 -0.347 9.81407 0.82719 3.9210820472 10.9629785046 0.365572125
+N      1.01871333      0.00388642      0.00000000
+C      2.38667301     -0.07088302      0.00000000
+O      3.01498070     -1.12690645      0.00000000
+C      3.05373699      1.22723900      0.00000000
+C      3.67385125      2.27097309      0.00000000
+H      0.53612679      0.89528730      0.00000000
+H      0.48855330     -0.86172623      0.00000000
+H      4.23251463      3.18546989      0.00000000 
+
+10
+-1040.8232618578572 7.077673 7.38726 -9.5873 -7.5076 -10.727 0.7991 -0.1424 0.622 9.78101 0.0267 4.4434474638 14.4556889218 0.293505457
+O      1.18641015     -0.12564340      0.60072789
+C      2.32290418     -0.03374410      0.18359714
+C      3.32153545      1.11702000     -0.11125091
+C      4.30725221      0.00260793     -0.55695176
+N      3.25329164     -0.97023103     -0.22649739
+H      3.61849388      1.68515189      0.77838102
+H      2.98967597      1.80141767     -0.90106794
+H      4.57886157      0.02071410     -1.62271905
+H      5.21246261     -0.09313802      0.06041918
+H      3.21082234     -1.98651505     -0.28464818 
+
+12
+-1142.5417907917865 7.53341 8.02069 -8.8861 -6.6077 -10.298 0.8459 -0.201 3.045 9.74664 -2.78904 8.2293971696 14.3038060718 0.120218174
+O      0.91682630      0.00218723      0.09267917
+C      2.33661593     -0.02945803      0.02352316
+C      3.04533620      1.02332695      0.89079156
+N      4.04213633     -0.00420175      1.36023776
+C      3.13177431     -1.08289384      0.83687427
+H      0.55994050     -0.60168667     -0.58115790
+H      2.68566145      0.01204619     -1.02473833
+H      2.40717415      1.34378092      1.72983076
+H      3.46156097      1.91053826      0.39327945
+H      4.86901378      0.04514936      0.75801799
+H      3.62301354     -1.90168112      0.29062697
+H      2.52714652     -1.50101749      1.65779513 
+
+10
+-1017.2998699806847 7.036768 7.37066 -9.6013 -7.3248 -10.603 0.8847 -1.0309 0.23 9.82036 0.48253 3.7501673462 14.5224429842 0.166446339
+O      1.11940989     -0.01328754      0.65803833
+C      2.25201699     -0.01200016      0.24360296
+C      3.29698801      1.06875911     -0.07460621
+N      4.30649936     -0.01970709     -0.25381387
+C      3.26821674     -1.09167657     -0.16006269
+H      3.52361894      1.77607815      0.73867661
+H      3.03148938      1.63993641     -0.98176261
+H      4.76718047      0.01017437     -1.16412864
+H      2.98841611     -1.58185530     -1.10934225
+H      3.47506412     -1.86701139      0.59433837 
+
+12
+-1141.7918762181948 7.572067 8.26269 -9.6354 -7.3525 -11.077 1.045 -0.0127 3.1 10.4245 -2.8095 8.9035958418 13.7431165826 0.171648424
+O      3.13975112     -1.03189261     -0.57520643
+C      2.36188105      0.01987488      0.01681207
+C      3.20996462      1.26410448      0.05502121
+C      3.24329816      2.20973220     -1.09099678
+N      2.45206857      2.53251331      0.11832558
+H      2.62419919     -1.85303262     -0.51316250
+H      2.05405413     -0.24755085      1.04545399
+H      1.44781135      0.23317587     -0.56676028
+H      4.12566851      1.17804143      0.64913217
+H      2.64570259      1.99255936     -1.97966966
+H      4.17199326      2.75412012     -1.27777187
+H      2.96307747      3.20738442      0.69506252 
+
+10
+-1012.0327022863345 7.173657 7.5703 -9.7528 -7.517 -10.98 0.9594 -1.0501 -0.14 10.08526 0.73301 3.6846407452 12.0730375612 0.236368826
+O      2.20207210     -1.07504866      0.06504950
+C      2.08107850      0.12253406     -0.12091096
+C      3.20981904      1.09089036     -0.10005647
+C      3.27269148      2.14686912     -1.16914849
+N      2.81574399      2.49846886      0.17320076
+H      1.08727012      0.59448564     -0.33694561
+H      4.15729139      0.70343461      0.28327570
+H      2.49736206      2.17398318     -1.93884915
+H      4.27292816      2.43509331     -1.50141801
+H      3.56713315      2.95396953      0.70024273 
+
+10
+-1011.2431473237618 6.954215 7.32747 -9.9422 -7.7638 -11.156 0.9674 -1.0586 0.027 10.30719 0.52474 4.0525196058 14.416224178 0.206016227
+O      2.36600028      0.10473497     -1.15610179
+C      2.24436220      0.36549525      0.02435313
+N      2.83792382      1.46195047      0.73422806
+C      4.18152636      1.85424486      0.18025045
+C      3.01093662      2.68578836     -0.12502039
+H      1.62570911     -0.25540979      0.70780343
+H      4.56673675      1.22709592     -0.62639938
+H      4.88736612      2.15354662      0.95589421
+H      2.83233355      3.61339566      0.42001280
+H      2.60724519      2.61912769     -1.13743051 
+
+10
+-993.692697747284 8.873334 8.20759 -9.0523 -6.9867 -9.572 0.4037 -1.3501 -0.547 9.07363 1.01494 5.2015722594 5.3051625624 0.673850545
+O      0.89054587      0.08247470     -0.03049200
+N      2.28652800     -0.08105600     -0.12615856
+C      2.89602735      1.02424650      0.15196443
+C      4.34131489      1.06702856      0.11079994
+C      5.05469397      2.17513647      0.38582880
+H      0.56549244     -0.80712347     -0.26044507
+H      2.33023235      1.92841814      0.41808061
+H      4.84082961      0.13329675     -0.16096393
+H      4.56673930      3.11349813      0.65825992
+H      6.14344621      2.17295023      0.34549586 
+
+8
+-831.6442429494485 8.162146 7.81085 -9.4761 -7.3522 -9.865 0.2952 -1.5591 -0.441 9.44126 0.91567 3.9130477544 13.3543584796 0.493960922
+O      0.90812803      0.12935864      0.00000000
+N      2.29101062     -0.10718929      0.00000000
+C      2.93414144      1.01707077      0.00000000
+C      4.34824940      1.02799930      0.00000000
+C      5.56061724      1.12665800      0.00000000
+H      0.54703343     -0.77624183      0.00000000
+H      2.39679814      1.97512057      0.00000000
+H      6.62946170      1.19064384      0.00000000 
+
+9
+-999.9758548934556 9.582436 9.37283 -8.778 -6.8812 -8.478 1.1335 -0.5319 0.18 7.98908 0.33175 4.4818087322 12.285710747 0.512894111
+S     -0.52105515     -1.27958021     -0.00258057
+C     -1.31486488      0.25944628     -0.01919123
+C     -0.40705596      1.29242733     -0.03591834
+C      0.94367288      0.83774187     -0.03544236
+C      1.04192299     -0.53394583     -0.01829619
+H     -2.39982446      0.30700466     -0.01551910
+H     -0.69746880      2.34210457     -0.04809515
+H      1.80978642      1.49806149     -0.04721117
+H      1.93476696     -1.15221016     -0.01396589 
+
+8
+-874.1218571030452 8.786918 8.57619 -9.4023 -7.5963 -9.6 0.5934 -1.1743 -0.442 8.96465 0.94161 4.8294902734 12.865531276 0.473751995
+S     -0.40012816     -1.18059421      0.00484930
+C     -1.30698222      0.28128500     -0.02351004
+C     -0.43203554      1.34593706     -0.04066329
+C      0.91127787      0.88229978     -0.02928398
+N      1.10324010     -0.43329744     -0.00518249
+H     -2.39377759      0.29057995     -0.02611653
+H     -0.72883099      2.39286693     -0.06006943
+H      1.79190654      1.52761294     -0.03881354 
+
+8
+-876.2551650536469 8.810012 8.59819 -9.3688 -7.3406 -8.881 0.7273 -0.9879 -0.178 8.45039 0.78536 4.4038711326 12.4449955612 0.667949669
+S     -0.50354853     -1.40803983     -0.00179218
+C     -1.30273674      0.12610027     -0.00118004
+C     -0.37088776      1.13460459     -0.00093957
+N      0.94624392      0.73862559     -0.00124532
+C      1.03007275     -0.56729849     -0.00166357
+H     -2.38620001      0.19475597     -0.00103883
+H     -0.60875636      2.19755780     -0.00057032
+H      1.96424274     -1.12603592     -0.00196017 
+
+16
+-1619.7762416453409 10.295524 11.52755 -9.6342 -7.4337 -10.826 1.074 0.2123 3.183 10.53901 -2.77791 8.8431278696 10.917897195 0.582252027
+C     -0.19296658      0.68980481      0.13834494
+C     -0.46073887     -0.71041577     -0.36474936
+C      0.95505654     -0.27310846     -0.07068322
+C      1.74490765     -0.80071480      1.09212633
+C      1.12767858     -1.63515504      2.18981865
+C      2.08109751     -2.27148658      1.20416565
+H     -0.30948437      1.52421233     -0.55386905
+H     -0.47146426      0.90834970      1.17043306
+H     -0.74445886     -0.83890391     -1.40972565
+H     -0.94797741     -1.40698472      0.31872191
+H      1.56638225     -0.08082530     -0.95800552
+H      2.53224730     -0.11785922      1.42655305
+H      0.07298537     -1.90325079      2.11585971
+H      1.47458676     -1.46703314      3.20981107
+H      3.07516268     -2.55685467      1.54964523
+H      1.64920573     -2.93458444      0.45297320 
+
+16
+-1636.2026377670652 10.099571 10.93331 -10.8122 -8.4477 -11.967 1.0002 0.1045 3.132 11.67946 -2.9151 10.1541806308 12.459601112 0.162667987
+C      0.90852225      0.00050576      0.97479404
+C      0.32042433     -1.03032729     -0.03387329
+C      0.73368818     -0.01485013     -1.14020968
+C      0.33980063      1.02589103     -0.05040300
+C     -1.17941196      0.79591707      0.07702640
+C     -1.19417846     -0.76974417      0.08956133
+H      2.00704868     -0.00971680      0.99111912
+H      0.50730692      0.01252797      2.00038338
+H      0.65212248     -2.07657839     -0.05367001
+H      0.16947122     -0.01714547     -2.08604018
+H      1.81463535     -0.02660661     -1.33651649
+H      0.69113213      2.06525624     -0.08696723
+H     -1.58875916      1.23051987      1.00084823
+H     -1.73569825      1.21772316     -0.77297434
+H     -1.75835056     -1.19454565     -0.75372743
+H     -1.61158376     -1.18174657      1.02010916 
+
+16
+-1639.4390211700672 10.134558 11.03644 -9.6763 -7.4856 -10.7 1.0216 0.1124 3.179 10.32368 -2.97571 8.7927647564 11.2255188596 0.25644207
+C      0.77203006      1.34486069     -0.63363076
+C     -0.32187880      0.97757900      0.34150908
+C     -1.41164720      0.02047179     -0.15045031
+C     -0.80170153     -1.39389658     -0.00227998
+C      0.72823418     -1.20589424     -0.13737409
+C      0.99865198      0.22070881      0.34984620
+H      0.62623695      1.07889394     -1.68432377
+H      1.30799169      2.28186493     -0.47370896
+H     -0.56007253      1.68523832      1.13738045
+H     -2.33500143      0.12828225      0.43685554
+H     -1.67526302      0.23115988     -1.20043085
+H     -1.02640230     -1.77524339      1.00670974
+H     -1.21215252     -2.11774827     -0.72250455
+H      1.28270968     -1.94517613      0.45857210
+H      1.05274341     -1.33199421     -1.18387852
+H      1.72216136      0.37700322      1.15173869 
+
+18
+-1791.5579769663198 10.730128 11.70595 -10.6765 -8.3101 -12.105 0.9807 0.0707 3.093 11.93752 -2.92767 10.537508147 10.5375949372 0.202590284
+C      0.73518528      1.27033139     -0.22375964
+C     -0.73185076      1.26832305      0.22825565
+C     -1.46467978      0.00149138     -0.23490710
+C     -0.73296005     -1.27115820      0.21380332
+C      0.73408863     -1.26928001     -0.23817483
+C      1.46698351     -0.00238307      0.22473790
+H      0.77438234      1.34121276     -1.32640717
+H      1.25179080      2.16313411      0.16464136
+H     -1.24769585      2.16602824     -0.14970396
+H     -0.77097249      1.32641015      1.33166002
+H     -2.49922985     -0.00021672      0.14525629
+H     -1.53692081      0.00781635     -1.33815997
+H     -0.77216152     -1.34177150      1.31647406
+H     -1.24955788     -2.16406052     -0.17435408
+H      1.24988143     -2.16689854      0.14005983
+H      0.77324408     -1.32769105     -1.34156168
+H      1.53957035     -0.00866900      1.32798518
+H      2.50143258     -0.00067883     -0.15569519 
+
+18
+-1769.0976417680295 11.081796 12.28189 -9.5558 -7.3625 -10.667 0.9385 0.0439 3.061 10.28907 -2.71933 8.6160847064 10.599067196 0.240217752
+C      1.04028166      0.08392956     -0.11052490
+C      2.55256501      0.06722481     -0.07240270
+C      3.36001943     -0.63351601     -1.14847059
+C      3.43261424      0.87557094     -1.01324692
+C      2.80961471      1.73354747     -2.09885006
+C      4.70434172      1.46288235     -0.42808152
+H      0.63145912      0.94771962      0.43691081
+H      0.63164208     -0.82708494      0.35348373
+H      0.65194129      0.12626917     -1.13757851
+H      2.96156439     -0.02651237      0.93914442
+H      2.80601641     -1.03593906     -2.00004484
+H      4.22806628     -1.22669873     -0.85411544
+H      1.91241632      1.27467330     -2.53453681
+H      3.52787188      1.89386779     -2.91874231
+H      2.52576829      2.72445875     -1.70844537
+H      5.12422227      0.81278016      0.35333289
+H      4.51352737      2.45045160      0.02272841
+H      5.47453754      1.59377559     -1.20568029 
+
+18
+-1770.7836946190214 11.019543 12.22161 -10.3972 -8.1057 -11.591 1.0002 0.1329 3.024 11.32364 -2.78417 9.8223197032 13.2474453518 0.109905258
+C      0.94202441     -0.00920151      0.01287208
+C      2.46088283      0.02326720      0.06201528
+C      3.17780173      1.08531756      0.94139063
+C      4.24399795      0.01461969      1.29173218
+C      3.22933785     -1.07840891      0.85474651
+C      3.72658743     -2.31723468      0.12785811
+H      0.57510283     -0.87834867     -0.55501334
+H      0.53639545      0.89475344     -0.46744075
+H      0.51866559     -0.06738583      1.02823375
+H      2.87171257      0.06720688     -0.96284110
+H      2.56572018      1.34526708      1.81947795
+H      3.51345875      2.01365453      0.45832137
+H      5.09824204      0.05632986      0.59761469
+H      4.62752795     -0.01899414      2.32110028
+H      2.61758903     -1.37168840      1.72699433
+H      4.33440504     -2.03984354     -0.74801426
+H      2.89023049     -2.93976133     -0.22645051
+H      4.35077786     -2.94417923      0.78335280 
+
+18
+-1768.8151604560287 11.077969 12.51253 -9.644 -7.4261 -10.832 0.9734 0.1082 3.282 10.47677 -3.00176 8.8891886686 12.0003941638 0.296036066
+C      1.00209473      0.00696209     -0.03652683
+C      2.51507369     -0.02248951     -0.01405436
+C      3.34352001     -0.75834814     -1.05740458
+C      2.72703385     -1.52650760     -2.20635808
+C      3.34031304      0.75587768     -1.01798574
+C      4.56632324      1.53389690     -0.59521086
+H      0.62132615      0.87422562      0.52514555
+H      0.57298383     -0.89918826      0.41986725
+H      0.60630085      0.08309865     -1.05922710
+H      2.93943514     -0.05279652      0.99516105
+H      4.25421356     -1.21872934     -0.65962096
+H      1.83617169     -1.02396539     -2.60812793
+H      2.42620577     -2.54038152     -1.89886207
+H      3.44430117     -1.63003397     -3.03515018
+H      2.75296288      1.22619311     -1.81493625
+H      5.10775869      1.00795237      0.20582369
+H      4.29984811      2.53252483     -0.21486388
+H      5.26661359      1.67081898     -1.43411871 
+
+18
+-1787.0962842839308 10.816092 11.88158 -11.159 -8.6044 -12.195 0.977 0.0566 3.133 12.00923 -2.84136 10.3610264746 10.3610264746 0.111222951
+C      0.97176000      0.01314216     -0.05826327
+C      2.49413120      0.00901205      0.05723222
+C      3.08375655      1.13084758      0.92969004
+C      4.52305563      0.66446278      1.17964663
+C      4.38541531     -0.85731829      1.42035825
+C      3.07982715     -1.28081793      0.68728972
+H      0.61325918     -0.82108139     -0.68009456
+H      0.60313048      0.94658836     -0.50976816
+H      0.50616927     -0.08699291      0.93557991
+H      2.92185521      0.12246893     -0.95631673
+H      2.53013380      1.18267705      1.88486010
+H      3.01914180      2.12214734      0.45637209
+H      5.12913660      0.85261314      0.27780521
+H      5.01391053      1.18546286      2.01422973
+H      5.26621866     -1.41064129      1.06474024
+H      4.29861194     -1.06227257      2.49815451
+H      3.25660247     -2.05600062     -0.07285089
+H      2.35569424     -1.70137724      1.40385496 
+
+18
+-1769.7902857792728 10.95557 11.9351 -10.4033 -8.1692 -11.646 0.9546 0.0429 2.951 11.3346 -2.64066 9.7092072754 10.4517842266 0.126870397
+C      0.89384510     -0.02195948      0.12167510
+C      2.41323249     -0.00560154     -0.00644279
+C      2.83700425      0.02136544     -1.47763624
+C      3.17465072      1.07250317      0.83530065
+C      4.21037026     -0.00818357      1.24415416
+C      3.19516925     -1.09491077      0.80138993
+H      0.58339246     -0.04179889      1.17748779
+H      0.46337587     -0.90723802     -0.37394898
+H      0.44671430      0.87054283     -0.34542381
+H      3.93229773      0.03366761     -1.58491149
+H      2.44022168      0.91611421     -1.98337547
+H      2.45756310     -0.86486178     -2.01096336
+H      2.57267078      1.40388102      1.69522466
+H      3.54024275      1.96073483      0.29834928
+H      5.10308581      0.01028201      0.60282350
+H      4.53967020     -0.02147611      2.29197614
+H      3.57729582     -1.95883978      0.23701368
+H      2.59977744     -1.46435117      1.65033727 
+
+18
+-1769.5666180874305 10.991673 12.17679 -10.3991 -8.0548 -11.568 0.9785 0.0937 3.073 11.32111 -2.85534 9.8404340578 10.609110062 0.138572001
+C      0.91003635     -0.00911071      0.04968678
+C      2.42972783      0.00818111      0.03170602
+C      3.18564389      1.06229956      0.89111169
+C      4.24252576     -0.02449159      1.25317448
+C      5.50520524      0.02642031      0.39747256
+C      3.20977015     -1.09925097      0.79764069
+H      0.51186035     -0.87514131     -0.50194705
+H      0.49325821      0.89941728     -0.41268881
+H      0.52864710     -0.06499352      1.08202991
+H      2.78516488      0.05733919     -1.01073389
+H      2.58928130      1.35649901      1.76931683
+H      3.54791785      1.97293002      0.38984353
+H      4.52097780     -0.06726286      2.31761484
+H      5.26194557      0.06605697     -0.67616138
+H      6.13325326     -0.86265342      0.56295093
+H      6.11014653      0.91541773      0.63407094
+H      3.59182311     -1.95511488      0.22033645
+H      2.62071483     -1.48108195      1.64657551 
+
+18
+-1768.6242771687553 11.119269 12.60555 -9.7986 -7.5924 -10.992 1.0019 0.1391 3.179 10.61324 -2.88614 9.0604257332 11.2852429158 0.214519941
+C      3.05357250     -1.20324036     -0.50707811
+C      2.47137667      0.04017468      0.17246107
+C      3.42882159      1.21451082      0.18063683
+C      3.53116262      2.12696147     -1.02525037
+C      2.92885059      2.63675448      0.26717022
+C      3.66002001      3.66607699      1.09945770
+H      2.34093909     -2.04060495     -0.49344254
+H      3.97141468     -1.53776296      0.00028778
+H      3.31260064     -0.99476809     -1.55592990
+H      2.18432078     -0.20521570      1.20986544
+H      1.54068589      0.34074666     -0.33910057
+H      4.37413572      1.02385605      0.70107901
+H      2.86092841      1.93288670     -1.86527543
+H      4.51576459      2.50284645     -1.30983852
+H      1.83934019      2.74345088      0.26001966
+H      4.74752049      3.50114771      1.06047072
+H      3.35393070      3.61991491      2.15617287
+H      3.46667483      4.68781425      0.73763415 
+
+18
+-1768.5839991193477 10.981719 12.21354 -10.4919 -8.205 -11.787 1.0051 0.1137 3.067 11.5355 -2.79819 10.046275615 10.467022106 0.141396688
+C      2.29210237     -0.49189340     -1.47364884
+C      2.47364836      0.03271564     -0.04653654
+C      3.23581343      1.34916753      0.02166945
+C      2.57660416      2.64900720     -0.52862706
+C      3.22283727      3.42546047      0.64968863
+C      3.38954881      2.07192549      1.39049979
+H      1.73301275     -1.43862774     -1.48554910
+H      3.26442205     -0.67191070     -1.95766925
+H      1.74024323      0.22853535     -2.09631913
+H      3.00266185     -0.72228382      0.56088194
+H      1.48510480      0.17044805      0.42660165
+H      4.23219602      1.22534599     -0.43899960
+H      1.48081728      2.60301507     -0.42061720
+H      2.81723516      2.96518722     -1.55320277
+H      4.19655336      3.85074526      0.36537008
+H      2.62668607      4.20898643      1.13723011
+H      4.31064723      1.90209593      1.96567726
+H      2.52427580      1.86320004      2.03965059 
+
+18
+-1768.2880358732214 10.984392 12.16998 -9.7966 -7.5713 -10.917 0.9671 0.0698 3.006 10.5495 -2.66122 8.8038367062 10.69255264 0.187547415
+C      2.48117759     -1.36537131     -0.65818068
+C      1.90986049     -0.03873155     -0.14752449
+C      2.96047434      0.97304657      0.29377628
+C      3.79073312      0.58018087      1.50169766
+C      3.63154842      1.79386289     -0.78725845
+C      2.61832046      2.43843367      0.13653672
+H      1.67604972     -2.03745218     -0.98815381
+H      3.05103786     -1.89309016      0.12031183
+H      3.15508857     -1.20217725     -1.51275714
+H      1.22461151     -0.23134560      0.69709379
+H      1.29476522      0.41776730     -0.94069036
+H      4.50493129      1.37397742      1.76372901
+H      4.37068641     -0.33739486      1.31906564
+H      3.14853920      0.40494310      2.37979240
+H      3.33558819      1.61794114     -1.82315206
+H      4.68259661      2.05732150     -0.65786277
+H      2.98621098      3.13454552      0.89226646
+H      1.64193003      2.69619292     -0.27757003 
+
+18
+-1767.0450847845168 11.074802 12.56551 -10.0597 -7.8154 -11.359 1.0262 0.142 3.142 11.01504 -2.85034 9.4043133028 11.7759671052 0.239482707
+C      1.09086042     -0.22653459     -0.51775691
+C      2.56053113      0.07073509     -0.82050606
+C      3.39866224      0.29879636      0.44327128
+C      4.85464095      0.60255568      0.15981422
+C      5.91440778      0.31167129      1.19528881
+C      5.83843786     -0.52318673     -0.06428139
+H      0.51399432     -0.39607570     -1.43833508
+H      0.61878833      0.60853726      0.02298644
+H      0.98844687     -1.12539664      0.11018818
+H      2.63216637      0.96229139     -1.46735565
+H      2.99979190     -0.76003297     -1.39827265
+H      3.33642661     -0.59654205      1.08835482
+H      2.95759173      1.12624738      1.02846679
+H      5.02099521      1.49935311     -0.44562669
+H      5.59028141     -0.15154271      2.12918927
+H      6.74468081      1.01051501      1.30258968
+H      6.61818241     -0.39568990     -0.81602900
+H      5.46362363     -1.54461128      0.02855393 
+
+18
+-1767.7627182538572 11.016025 12.2925 -10.074 -7.8824 -11.351 1.0029 0.1295 3.053 10.98414 -2.71623 9.3498214558 11.8402786434 0.232001612
+C      1.15545312      0.19752976      0.15808311
+C      2.65105798     -0.02711685     -0.10360407
+C      2.87867599     -0.80227673     -1.40861937
+C      3.40666160      1.29243675     -0.11452327
+C      3.84378682      1.94014905      1.17737507
+C      4.87321108      1.34304823      0.24078013
+H      0.99259022      0.72624729      1.10850734
+H      0.60827171     -0.75629943      0.19818858
+H      0.70718401      0.80522156     -0.64471214
+H      3.05795218     -0.63155893      0.72969220
+H      2.49605832     -0.23259669     -2.27104991
+H      2.35930694     -1.77225191     -1.39393459
+H      3.94887890     -0.98907907     -1.57924929
+H      3.08709864      1.98123091     -0.90484983
+H      3.63677374      1.40437480      2.10617674
+H      3.79128333      3.02622840      1.26200724
+H      5.52253838      2.02199533     -0.31319475
+H      5.35118705      0.40988753      0.54626683 
+
+20
+-1913.764870010005 11.792181 13.53342 -10.9754 -8.7251 -12.424 1.011 0.0985 3.088 12.26643 -2.86877 10.5106527794 11.0825877988 0.334977821
+C      0.55122838      0.29999664      0.58301799
+C      1.89626004     -0.35921782      0.27155913
+C      3.01289102      0.65014133     -0.01228901
+C      4.36758800      0.00281729     -0.31136825
+C      5.48240243      1.01162984     -0.60420357
+C      6.83247976      0.35217293     -0.89254561
+H     -0.23071095     -0.44801803      0.77850865
+H      0.21126120      0.92629833     -0.25638581
+H      0.62222386      0.94807159      1.47035478
+H      1.78594951     -1.03124500     -0.59740773
+H      2.19603390     -1.00338475      1.11658271
+H      3.11623648      1.32976861      0.85331221
+H      2.71649214      1.28891940     -0.86429419
+H      4.26340943     -0.68257001     -1.17229101
+H      4.66653521     -0.62997115      0.54421887
+H      5.58325627      1.69967659      0.25329474
+H      5.18684113      1.63919471     -1.46309265
+H      7.17007144     -0.25289649     -0.03676013
+H      7.61207713      1.09927013     -1.10043636
+H      6.77020363     -0.31664414     -1.76502476 
+
+20
+-1912.7064328808713 11.573318 12.76578 -10.9882 -8.581 -12.208 0.9615 0.0645 2.952 11.93212 -2.64435 10.2842915392 10.8874710306 0.190275509
+C      0.96184692     -0.10459362      0.00900610
+C      2.49414412     -0.00453947     -0.02323719
+C      3.03106614     -0.80820786     -1.21690478
+C      2.98877821      1.46576320     -0.03210136
+C      2.45200800      2.26938002      1.16166365
+C      4.52108065      1.56582233     -0.06452146
+H      0.52908616      0.34154781      0.91415555
+H      0.64188024     -1.15658287     -0.02425486
+H      0.51861192      0.40344915     -0.86366283
+H      2.88460976     -0.47038042      0.90314328
+H      2.72237586     -0.34626355     -2.16951236
+H      2.63306546     -1.83366320     -1.20353260
+H      4.12663103     -0.88136373     -1.21755734
+H      2.59821019      1.93164144     -0.95841998
+H      2.76086264      1.80742091      2.11421081
+H      1.35644057      2.34250718      1.16249488
+H      2.84997704      3.29484783      1.14826680
+H      4.96441734      1.05770202      0.80804969
+H      4.84103582      2.61781282     -0.03121018
+H      4.95372195      1.11976002     -0.96976581 
+
+20
+-1912.6455604292046 11.602928 12.93936 -11.043 -8.6275 -12.297 0.9703 0.0876 3.03 12.11313 -2.7359 10.459954904 10.8120255496 0.195923991
+C      0.91834851     -0.09293862      0.04818765
+C      2.43716121     -0.02368524      0.23393973
+C      3.03493123      1.39253566      0.13618709
+C      2.49639100      2.31823593      1.23518751
+C      4.57544255      1.37466618      0.17525146
+C      5.25289282      0.65604436     -0.99442844
+H      0.56723059     -1.13485971      0.05798194
+H      0.61840202      0.34920478     -0.91508734
+H      0.37771446      0.44161178      0.84237284
+H      2.90929835     -0.66605643     -0.52660569
+H      2.71266910     -0.45647539      1.21358955
+H      2.73273051      1.81356667     -0.84359090
+H      2.76779013      1.93585388      2.23284968
+H      1.40266182      2.41417942      1.19967801
+H      2.92024809      3.32906367      1.14022186
+H      4.90084077      0.92156226      1.12969299
+H      4.92913058      2.41962012      0.20293628
+H      5.01731134     -0.41754544     -1.01603421
+H      6.34680139      0.74721131     -0.93183484
+H      4.93820354      1.08548480     -1.95871517 
+
+20
+-1913.5557467133397 11.558162 12.66724 -10.9689 -8.641 -12.398 0.9004 -0.0209 2.876 12.11852 -2.54433 10.4999651862 10.4999651862 0.159356919
+C      0.94704068     -0.11994987     -0.00522341
+C      2.46974908      0.04481858      0.00500296
+C      3.01355437      1.49683451     -0.01155793
+C      2.55855368      2.23486457     -1.28378823
+C      2.53745012      2.27131802      1.23092599
+C      4.55157489      1.42978188      0.00228711
+H      0.67645083     -1.18576804      0.00789688
+H      0.49100442      0.32038752     -0.90414619
+H      0.47621649      0.34608994      0.87286653
+H      2.89449290     -0.48628535     -0.86552962
+H      2.87988299     -0.46069002      0.89749930
+H      2.85381939      1.68225230     -2.18990939
+H      3.01631969      3.23486888     -1.33675328
+H      1.46717082      2.37007961     -1.30965527
+H      2.81735983      1.74527127      2.15749879
+H      1.44582074      2.40695586      1.23455233
+H      2.99451422      3.27254634      1.26254994
+H      4.91851740      0.91294864      0.90301162
+H      4.98975211      2.44001452     -0.00871994
+H      4.93337534      0.88714084     -0.87682820 
+
+20
+-1913.6687399027671 11.689045 13.11898 -11.0162 -8.6993 -12.371 0.9648 0.0643 3.042 12.16975 -2.76949 10.4851364606 10.8996464558 0.227452727
+C      1.08775963     -0.11396567      0.10097362
+C      2.61260365     -0.24644986      0.11000567
+C      3.32416609      1.09184803     -0.11423292
+C      4.85984861      1.05779781     -0.01087554
+C      5.50466167      0.14913278     -1.06543331
+C      5.43295867      2.47744360     -0.10530225
+H      0.59717494     -1.08642728      0.25221949
+H      0.73050026      0.29473805     -0.85687478
+H      0.74242776      0.56273310      0.89786854
+H      2.91661692     -0.96919538     -0.66458101
+H      2.93866351     -0.67379283      1.07450739
+H      2.94306685      1.81948546      0.62469056
+H      3.04228924      1.49215104     -1.10641669
+H      5.11614312      0.65397990      0.98696928
+H      5.25862756      0.49722703     -2.08229002
+H      5.17071931     -0.89422864     -0.97666518
+H      6.60084679      0.15482129     -0.96888786
+H      5.21241836      2.92110162     -1.08986592
+H      6.52569977      2.47787835      0.02246681
+H      5.00167729      3.13714162      0.66241410 
+
+14
+-1479.49634948692 9.927164 10.44016 -8.7233 -6.5341 -8.284 1.7099 0.0825 1.395 7.84998 -0.7416 5.3010586258 11.6875526886 0.47896365
+C     -1.23026725      0.00926955     -0.51306856
+C     -0.42894664     -0.54986247      0.71474801
+C     -0.56956116      0.89514263      1.31017203
+C     -0.36686153      1.28096935     -0.19729636
+C      1.04414520      0.72176857     -0.43688829
+C      1.00335855     -0.48143960      0.16252658
+H     -1.07182829     -0.47987916     -1.48429837
+H     -2.30197117      0.14995663     -0.30368161
+H     -0.74082671     -1.44671067      1.26358171
+H     -1.58263264      1.11445884      1.68138911
+H      0.19914067      1.22432971      2.02321522
+H     -0.61467101      2.27450051     -0.59014256
+H      1.85634426      1.21216828     -0.96903847
+H      1.77311772     -1.24451217      0.25482156 
+
+14
+-1499.977512525179 9.942086 10.45011 -8.734 -6.5782 -8.741 1.1658 0.1408 1.416 8.28825 -0.79711 5.8747790436 5.8747790436 0.254500153
+C      0.37401690      1.42224429      0.53217658
+C      0.90510712      0.42050126     -0.46195770
+C      0.98262510     -1.04692828     -0.03969043
+C     -0.45459512     -1.40957785      0.26978085
+C     -1.29912935     -0.40332447     -0.01610798
+C     -0.57342616      0.81038714     -0.48764311
+H      0.66681772      2.46325036      0.38679772
+H      0.25040393      1.11414954      1.57275822
+H      1.58192261      0.78431305     -1.23527767
+H      1.64542272     -1.19764906      0.82988429
+H      1.38583360     -1.67893446     -0.85054997
+H     -0.74414290     -2.37138444      0.69554518
+H     -2.38224422     -0.43517189      0.11277903
+H     -0.99715194      1.44834481     -1.26522501 
+
+12
+-1404.0518359690298 10.317761 9.92242 -9.0787 -7.293 -9.109 1.1971 -0.3181 0.682 8.5983 -0.14623 4.6946554984 6.1989404406 0.736205192
+C     -0.76233660      1.17250057     -0.00160413
+C      0.63434847      1.24855589     -0.00064656
+C      1.39860037      0.07698366      0.00104262
+C      0.76617605     -1.17068029      0.00160079
+C     -0.63053550     -1.24674074      0.00055141
+C     -1.39476664     -0.07518872     -0.00113409
+H     -1.35885105      2.08668121     -0.00294479
+H      1.12794675      2.22216640     -0.00106538
+H      2.48856639      0.13639711      0.00186967
+H      1.36266420     -2.08487934      0.00289794
+H     -1.12408593     -2.22037350      0.00099222
+H     -2.48473651     -0.13456224     -0.00193971 
+
+14
+-1508.8337272586434 10.423965 10.63236 -8.9313 -6.6196 -8.571 0.9068 0.0162 1.313 8.37569 -0.98965 5.4844835142 11.2187740212 0.537215045
+C      1.47312027     -0.26081897     -0.00142035
+C      0.43818544     -1.35122675      0.00400911
+C     -0.88083523     -1.11830207      0.02017618
+C     -1.47967434      0.26058939      0.03474674
+C     -0.44485273      1.35101480      0.01977538
+C      0.87416799      1.11808992      0.00360956
+H      2.14933758     -0.38005558      0.86765327
+H      2.13888658     -0.37849288     -0.87855274
+H      0.80351036     -2.38202274     -0.00606574
+H     -1.57717534     -1.96163269      0.02313788
+H     -2.16616517      0.38163782     -0.82579007
+H     -2.13496862      0.37641702      0.92016088
+H     -0.81026414      2.38182619      0.02244077
+H      1.57041736      1.96143655     -0.00676086 
+
+14
+-1508.5946544395917 10.630619 10.6212 -8.2504 -6.1239 -8.071 0.7417 -0.8306 0.507 7.68272 0.05374 4.4882560042 7.305627078 0.493311452
+C      0.30862807     -1.41570347      0.21588878
+C     -1.09119960     -0.95012246     -0.21123095
+C     -1.32693107      0.49828525      0.13904309
+C     -0.29608517      1.36923203      0.14712140
+C      1.06277413      0.91616826     -0.14955117
+C      1.36552178     -0.39889760     -0.13786022
+H      0.53736588     -2.39316187     -0.23402676
+H      0.33045743     -1.57151947      1.31351803
+H     -1.86012782     -1.59420867      0.24093572
+H     -1.20292024     -1.06444049     -1.30867846
+H     -2.34879946      0.84079220      0.31708844
+H     -0.46571340      2.42890643      0.34994463
+H      1.83380831      1.66195892     -0.35509075
+H      2.38858115     -0.73799905     -0.31585180 
+
+16
+-1649.5028042088557 10.594643 11.18144 -9.062 -6.8331 -9. 0.9696 0.0089 1.459 8.4892 -0.826 6.236185835 6.236185835 0.354845353
+C      0.41533948      1.37061065      0.33586626
+C      1.38367779      0.38266139     -0.32506980
+C      1.06240537     -1.06017863      0.08840985
+C     -0.41591423     -1.34630796      0.04837867
+C     -1.35171463     -0.38933401     -0.04875796
+C     -1.03306516      1.08245672     -0.08267300
+H      0.68586881      2.40752482      0.08395277
+H      0.49909875      1.27739395      1.43248273
+H      2.42554349      0.62957709     -0.06937690
+H      1.29555133      0.47156654     -1.42170495
+H      1.44695310     -1.25973940      1.10654635
+H      1.59329158     -1.77116927     -0.56707506
+H     -0.72475518     -2.39488215      0.09598613
+H     -2.40666254     -0.67483451     -0.10104576
+H     -1.22141555      1.47491330     -1.09992383
+H     -1.73404244      1.62647146      0.57284450 
+
+16
+-1623.8674417884959 11.147258 12.0632 -9.0973 -6.9198 -9.233 1.3917 0.1 1.341 8.74091 -0.75473 6.4231815202 6.4231815202 0.422508789
+C      0.98699084     -0.02143830     -0.04931465
+C      2.49641094     -0.07847196     -0.04920664
+C      3.24757376     -0.74888245     -1.17388596
+C      3.30680119      0.75507283     -1.04013919
+C      4.52492705      1.47561029     -0.59708936
+C      5.75765174      0.96445490     -0.47464263
+H      0.61464567      0.83194446      0.53819380
+H      0.55497733     -0.93866208      0.38025689
+H      0.59689969      0.08047023     -1.07343450
+H      2.96273939     -0.17394587      0.93531947
+H      2.66365582     -1.15397205     -2.00217925
+H      4.13768635     -1.32716483     -0.92472338
+H      2.68603336      1.31582321     -1.74659499
+H      4.36873342      2.52876709     -0.33429974
+H      5.98335166     -0.07125087     -0.73803896
+H      6.58482178      1.57219540     -0.10633090 
+
+14
+-1468.683933087126 10.835262 11.91658 -9.2467 -7.041 -9.36 0.9779 0.0779 2.278 8.98382 -1.86361 4.3014586966 9.3919395 0.514279609
+C      1.01303182     -0.00933035     -0.04945423
+C      2.52298883     -0.03040941     -0.01572413
+C      3.31105370     -0.71400505     -1.09670864
+C      3.31142028      0.81155190     -1.01687216
+C      4.49232744      1.51454089     -0.60981206
+C      5.49456390      2.10829444     -0.26090183
+H      0.61288334      0.85197574      0.50576131
+H      0.59683945     -0.92414717      0.39902635
+H      0.64048108      0.05344234     -1.08292195
+H      2.96956586     -0.06671685      0.98079082
+H      2.76383245     -1.15833148     -1.92985131
+H      4.23787929     -1.21920531     -0.82678797
+H      2.70890833      1.32323131     -1.77268771
+H      6.37655424      2.63296900      0.04342349 
+
+16
+-1645.2842400626207 10.812086 11.51283 -8.9821 -6.8473 -9.097 1.4083 -0.0165 1.466 8.47338 -0.81043 6.3364161174 6.3364161174 0.407227326
+C      1.07193576     -0.02224206      0.37557265
+C      2.35438651      0.00473575     -0.00752354
+C      3.22504541      1.24852965     -0.12147557
+C      4.47506343      0.78304354     -0.89188245
+C      4.63979513     -0.68093382     -0.44876451
+C      3.19139044     -1.20365755     -0.40491297
+H      0.51883334     -0.96074668      0.45185987
+H      0.53076280      0.89266477      0.62593944
+H      3.51526078      1.58127792      0.89060618
+H      2.69985585      2.08956210     -0.59637143
+H      4.28371058      0.82254114     -1.97715674
+H      5.36137916      1.40071454     -0.69011074
+H      5.28960054     -1.26606974     -1.11462116
+H      5.08272724     -0.71587590      0.56063589
+H      2.88690739     -1.53929425     -1.41174914
+H      3.04951564     -2.05710939      0.27339422 
+
+12
+-1368.489755206225 11.081977 10.40702 -8.3597 -6.358 -8.27 -0.4444 -2.0255 -0.607 7.68091 1.10311 3.3203574786 6.1339841752 0.58714316
+C      0.88555563      0.00069750      0.00288925
+C      2.23583747      0.00065374     -0.00069226
+C      3.11683247      1.18130245     -0.00285299
+C      4.40276095      0.73738879     -0.00634261
+C      4.40268098     -0.73634643     -0.00656344
+C      3.11669068     -1.18010185     -0.00320423
+H      0.31797435      0.93296647      0.00452970
+H      0.31795706     -0.93156186      0.00425194
+H      2.76926775      2.21201810     -0.00176915
+H      5.29987119      1.35498095     -0.00862301
+H      5.29971442     -1.35404657     -0.00902676
+H      2.76898704     -2.21077130     -0.00242644 
+
+14
+-1503.3444710267097 10.588629 10.9288 -8.8388 -6.6356 -8.711 1.4463 -0.0501 1.359 8.4073 -0.76424 5.9895900796 11.5224405324 0.265651595
+C      1.05326263     -0.00067167      0.19368923
+C      2.37604255     -0.00112215     -0.00500857
+C      3.25406033     -1.24021336     -0.15873529
+C      4.60568003     -0.67154303     -0.51132256
+C      4.60693449      0.66907670     -0.50602993
+C      3.25638671      1.23748920     -0.14894582
+H      0.48906254      0.92985152      0.28184497
+H      0.48731933     -0.93079897      0.27449335
+H      2.86809359     -1.92431720     -0.93374487
+H      3.29352697     -1.82987917      0.77530657
+H      5.47130005     -1.29789528     -0.73106592
+H      5.47372648      1.29552149     -0.72084405
+H      3.29699351      1.81963347      0.78975738
+H      2.87171081      1.92845846     -0.91848448 
+
+14
+-1508.1839481315985 11.261229 10.98474 -8.2784 -6.2147 -8.17 0.881 -0.6578 0.446 7.65994 0.09428 4.948343253 4.948343253 0.621928354
+C      0.99973354      0.01715960     -0.22109968
+C      2.32603118      0.00940264      0.01589037
+C      3.22386521     -1.21957133      0.13754468
+C      4.64012661     -0.66925969      0.45974743
+C      4.45767150      0.82591224      0.44940094
+C      3.17841857      1.17940954      0.20618517
+H      0.43425337     -0.90718676     -0.34813537
+H      0.44606024      0.95453027     -0.29331286
+H      3.22056405     -1.79168348     -0.80180249
+H      2.85909252     -1.89604305      0.92369135
+H      5.39356986     -0.98975087     -0.27919628
+H      5.01026913     -1.01755926      1.43915420
+H      5.27781354      1.52302661      0.62729465
+H      2.80331069      2.20267355      0.15733789 
+
+16
+-1649.3342930350016 10.814207 11.51549 -8.6657 -6.5157 -8.586 0.9502 0.0511 1.546 8.05438 -0.87109 5.8910336082 5.8910336082 0.311638938
+C      0.98704365      0.02618590      0.02001001
+C      2.48121063     -0.01107395     -0.03383396
+C      3.27162977     -1.09603219     -0.10462528
+C      4.73912402     -0.74754175     -0.08010484
+C      4.73767826      0.78361024     -0.32517727
+C      3.31236016      1.25460669      0.04927938
+H      0.55120002     -0.98065396     -0.03044516
+H      0.57505243      0.62216082     -0.81122343
+H      0.63612062      0.50557853      0.94923448
+H      2.90543495     -2.12491641     -0.12934581
+H      5.18418405     -1.00594091      0.89900324
+H      5.32598779     -1.29250678     -0.83684124
+H      4.91382586      0.97793150     -1.39402149
+H      5.52391063      1.30727060      0.23595880
+H      2.93921867      2.04947664     -0.61750632
+H      3.26695847      1.66711501      1.07507887 
+
+14
+-1510.8213690809844 10.694997 10.94924 -8.0334 -6.0169 -7.984 1.0343 -0.5313 0.725 7.52017 -0.15216 4.4773328376 7.1495658998 0.564509195
+C      0.93968684      0.04704198     -0.00370281
+C      2.43381475      0.03489885      0.00013034
+C      3.28857866      1.09243118     -0.00100986
+C      4.67281190      0.61433575      0.00365436
+C      4.68109899     -0.74148341      0.00777318
+C      3.25945774     -1.22969768      0.00589585
+H      0.54950803      1.07378074     -0.00450306
+H      0.52709855     -0.46991993      0.87856297
+H      0.53165806     -0.46944797     -0.88839902
+H      2.99635235      2.14351595     -0.00481496
+H      5.55009042      1.26159301      0.00378948
+H      5.55365591     -1.39199293      0.01183564
+H      3.03977439     -1.86236855     -0.87344178
+H      3.03561340     -1.85692698      0.88807968 
+
+14
+-1511.0983106530032 10.668966 10.99241 -8.1558 -6.1519 -8.146 1.1561 -0.4366 0.709 7.61323 -0.16847 4.6050384176 6.9159638772 0.607539883
+C      0.96305072      0.04505131      0.00188165
+C      2.45934193     -0.01991463      0.00415153
+C      3.24965162     -1.12582033      0.00682464
+C      4.69333554     -0.71471396      0.00854511
+C      4.62987931      0.78606875      0.00645256
+C      3.33022054      1.16788377      0.00397893
+H      0.51597094     -0.95766373     -0.00019274
+H      0.59075430      0.58727204     -0.88192817
+H      0.58797704      0.58478152      0.88606280
+H      2.90935172     -2.16069497      0.00761747
+H      5.23986497     -1.10357347     -0.87037550
+H      5.23712632     -1.10123080      0.89019328
+H      5.50272966      1.43665360      0.00687971
+H      2.96179539      2.19492089      0.00199875 
+
+14
+-1507.0804434550928 10.540226 10.73874 -8.3018 -6.2886 -8.246 0.818 -0.7273 0.675 7.78486 -0.13443 4.6508636432 7.2082112778 0.591384731
+C      0.88029498      0.00147594      0.10266748
+C      2.41805648      0.00028677      0.03673993
+C      3.01758816      1.17710362     -0.68967950
+C      3.84570062      0.73025239     -1.66481447
+C      3.84477600     -0.73642064     -1.66266546
+C      3.01592622     -1.17938790     -0.68639345
+H      0.51212666      0.89167272      0.63203841
+H      0.51083239     -0.88674531      0.63445370
+H      0.45320390      0.00041158     -0.90978864
+H      2.80637369      0.00146173      1.07630196
+H      2.79975232      2.21439149     -0.43906863
+H      4.42739163      1.34696283     -2.35003343
+H      4.42559532     -1.35585597     -2.34616010
+H      2.79673163     -2.21567926     -0.43285780 
+
+16
+-1645.8071450363757 10.585896 11.16927 -9.0815 -6.8154 -8.946 0.9616 0.0668 1.456 8.46454 -0.82749 6.1268673788 6.1268673788 0.306541651
+C      0.99508169      0.00054157      0.04053187
+C      2.52581265     -0.00700705     -0.02397041
+C      3.04740488     -1.23649506     -0.82528136
+C      3.38324412     -0.66669045     -2.18036303
+C      3.39056198      0.67383156     -2.17087309
+C      3.06068457      1.22799066     -0.80791182
+H      0.62206309      0.89014581      0.56988683
+H      0.61302650     -0.88910626      0.56340028
+H      0.56682043      0.00641079     -0.97455505
+H      2.92422967     -0.01628080      1.00213974
+H      2.29382666     -2.04084195     -0.87553227
+H      3.94410125     -1.68294724     -0.35871083
+H      3.61751764     -1.28901751     -3.04600487
+H      3.63174623      1.30560488     -3.02773256
+H      3.96201848      1.65809899     -0.33495404
+H      2.31583016      2.04104206     -0.84670938 
+
+16
+-1645.5858684380903 10.668211 11.23219 -9.0069 -6.8401 -8.909 1.0202 0.0158 1.466 8.41512 -0.83293 6.1169856946 6.1169856946 0.312823555
+C      0.95853543      0.03069556     -0.08890381
+C      2.49444987     -0.01043752     -0.00538015
+C      3.04738011     -1.30255388      0.66468603
+C      3.44160021     -0.90579027      2.11156757
+C      3.53138205      0.59904903      2.04292825
+C      3.03664054      1.08021323      0.89407275
+H      0.57960279     -0.75940675     -0.75447909
+H      0.60470823      0.99711029     -0.47813050
+H      0.50989527     -0.11304772      0.90599588
+H      2.89229867      0.09222986     -1.03027119
+H      3.94367550     -1.64039392      0.12390019
+H      2.31941252     -2.12622175      0.63434658
+H      4.38728085     -1.37378327      2.42854010
+H      2.68481031     -1.21527072      2.85495819
+H      3.92313864      1.20860963      2.85956915
+H      2.96487901      2.13971820      0.63864006 
+
+16
+-1624.098539668405 11.191699 11.97295 -9.3978 -7.2186 -9.394 1.602 0.06 1.369 8.84968 -0.77637 6.5957700322 6.5957700322 0.478581377
+C      1.10267058     -0.35855873     -0.40483758
+C      1.61911696      0.53113671      0.45288875
+C      2.69638746      1.51102655      0.13848742
+C      2.46858279      3.02263082      0.46517037
+C      3.95442854      3.11932209      0.89728353
+C      3.95456983      1.57781894      1.06383717
+H      0.31334352     -1.05103376     -0.10823957
+H      1.45624466     -0.42132185     -1.43760284
+H      1.23732437      0.56127261      1.48227286
+H      3.01259271      1.40107311     -0.91204197
+H      1.79146582      3.13524518      1.32592920
+H      2.11295102      3.66717154     -0.35035675
+H      4.59722535      3.43466961      0.06238849
+H      4.19573714      3.73143718      1.77669274
+H      4.84291360      1.01239466      0.75001315
+H      3.69429566      1.28509536      2.09279504 
+
+14
+-1468.1858271912329 10.603844 11.57042 -9.7899 -7.5043 -9.692 0.9717 0.0348 2.369 9.26311 -1.94385 4.3427708318 10.327351877 0.513042055
+C      0.90838367     -0.02291442      0.00864825
+C      2.12381849     -0.00664935      0.00871759
+C      3.57114052      0.01028125      0.04229786
+C      4.30871633      1.07613837      0.91943716
+C      5.36150262     -0.00634509      1.27212529
+C      4.33538471     -1.09011458      0.85136815
+H     -0.16206616     -0.03742408      0.00507794
+H      3.96605165      0.04749476     -0.98646749
+H      3.69480100      1.34582338      1.78971901
+H      4.64328768      1.99162460      0.41444573
+H      6.22085334      0.02575526      0.58670054
+H      5.73466710     -0.03417932      2.30390017
+H      4.69186025     -1.96362485      0.29015935
+H      3.72887880     -1.42879594      1.70252044 
+
+16
+-1622.0600545147663 11.12395 12.15903 -9.5843 -7.3284 -9.494 1.4519 0.1276 1.358 8.9615 -0.78491 6.6638631434 6.6638631434 0.484916166
+C      1.24438957     -0.77166158      0.06093056
+C      2.24368032      0.06029912     -0.25390217
+C      3.18696400      0.69053933      0.73247730
+C      4.64381944      0.36870423      0.44180808
+C      5.41721595      1.19019331     -0.56389085
+C      5.73731869      1.29806211      0.91062719
+H      0.59542168     -1.20219651     -0.70313199
+H      1.04031250     -1.04750041      1.09932341
+H      2.42102201      0.30791079     -1.30728352
+H      2.92398860      0.36971133      1.75447369
+H      3.06357029      1.78926554      0.70459688
+H      4.88028694     -0.69876887      0.46414245
+H      4.90248465      2.03234952     -1.03069884
+H      6.13226155      0.68292131     -1.21228168
+H      6.66949197      0.86090650      1.26981336
+H      5.43585184      2.21005430      1.42938611 
+
+14
+-1465.7630446396258 10.506452 11.72637 -10.0039 -7.6122 -9.81 1.0081 0.1075 2.339 9.39501 -1.93379 4.3703949126 11.9951123602 0.305809595
+C      5.35330374     -1.89801203     -0.51357355
+C      4.57518510     -1.02584441     -0.18527697
+C      3.65554049      0.03633722      0.21367393
+C      4.30399103      1.41365959      0.25593909
+C      4.39788710      2.24113513     -1.00010945
+C      3.44294388      2.64367291      0.10306033
+H      6.03869370     -2.66740642     -0.80434589
+H      3.23293000     -0.20633790      1.20420027
+H      2.80210058      0.05759396     -0.48610276
+H      5.14536682      1.48948863      0.94841468
+H      3.97126364      1.82119465     -1.91257311
+H      5.29317571      2.84308553     -1.15592236
+H      3.68336540      3.52056802      0.70454258
+H      2.37571283      2.49667510     -0.07276676 
+
+16
+-1625.04912380355 11.167984 12.22407 -8.9136 -6.7355 -8.886 1.0769 0.155 1.441 8.39305 -0.80137 6.169667346 6.169667346 0.397349206
+C      0.84786456      0.06721354     -0.01700823
+C      2.34169863      0.00251651      0.08254251
+C      3.16964569      1.04052506     -0.10689229
+C      4.65336730      1.01112123     -0.04083725
+C      5.45167265     -0.26144854     -0.17376726
+C      5.47580625      0.75024595     -1.29523183
+H      0.46763451     -0.62267715     -0.78817703
+H      0.50217671      1.08048565     -0.26661746
+H      0.37235276     -0.23451544      0.93036263
+H      2.76978399     -0.97472728      0.33346197
+H      2.73141129      2.02021821     -0.33860969
+H      5.08525443      1.76847329      0.62123352
+H      4.91212882     -1.19199264     -0.35192436
+H      6.34381350     -0.36913830      0.44355230
+H      6.38061053      1.33929391     -1.44980359
+H      4.92416839      0.50329601     -2.20318394 
+
+16
+-1625.3722518023458 10.97155 11.82952 -9.0514 -6.8903 -9.029 1.1463 0.0463 1.443 8.41582 -0.79834 6.2922151084 6.2922151084 0.393766862
+C      1.01439692      0.17617002     -0.61561329
+C      2.37844180      0.07114690      0.01781635
+C      2.87286621     -1.09722567      0.45692186
+C      3.11717749      1.36512722      0.12327152
+C      2.93457135      2.24366845      1.35273743
+C      4.26651955      1.58875927      1.07093432
+H      1.08717758      0.58897545     -1.63529524
+H      0.37148299      0.86532338     -0.04413731
+H      0.51565163     -0.80004060     -0.67485472
+H      2.29130086     -2.01815955      0.38581106
+H      3.86906534     -1.17164876      0.89488932
+H      3.16564128      1.92180204     -0.81860784
+H      2.34028015      1.82953160      2.16841243
+H      2.83717983      3.32058503      1.21052462
+H      5.08921793      2.21768282      0.72978367
+H      4.56664910      0.76648238      1.72032581 
+
+14
+-1473.1154175286931 11.056797 12.57111 -8.8497 -6.6737 -8.886 0.9224 0.059 2.454 8.49734 -1.96751 4.0965718316 12.3191993656 0.537352836
+C      0.96689976      0.00504217      0.00373439
+C      2.42227865     -0.00371534      0.01298671
+C      3.63993676     -0.01112876      0.01834610
+C      5.07579279     -0.02395522      0.03326991
+C      5.85050575     -0.74211995     -1.06571288
+C      5.86494350      0.75938062     -1.00945337
+H      0.56904210      1.03132183      0.01101125
+H      0.56165292     -0.51610533      0.88430529
+H      0.57172900     -0.50035338     -0.89051515
+H      5.52711458     -0.06530951      1.02798161
+H      5.25964589     -1.21740204     -1.84801980
+H      6.74768645     -1.28459880     -0.76718868
+H      6.77241689      1.25995908     -0.67145429
+H      5.28467495      1.30343463     -1.75394109 
+
+10
+-1168.70945947526 11.186543 11.26874 -9.1438 -7.0731 -8.668 -0.162 -1.7398 0. 8.19153 0.58301 4.00536773 8.0134259562 0.592147959
+C      0.89329431      0.00086280      0.00000000
+C      2.25062080      0.00804331      0.00000000
+C      3.00931057     -1.20514622      0.00000000
+C      3.66856052     -2.22611128      0.00000000
+C      2.99621912      1.22946830      0.00000000
+C      3.64494664      2.25713884      0.00000000
+H      0.33529897      0.93576834      0.00000000
+H      0.34541142     -0.94002386      0.00000000
+H      4.24949635     -3.12558684      0.00000000
+H      4.21568131      3.16313663      0.00000000 
+
+14
+-1491.7426810832617 14.523588 12.66689 -8.1048 -6.2223 -7.948 -0.0846 -1.5653 -0.341 7.40151 0.91991 4.3422252934 4.3422252934 1.187767208
+C      1.45962689     -0.82353701      0.08755930
+C      2.72554852     -0.38179118     -0.06595823
+C      3.10106231      1.01116843     -0.12876731
+C      4.37707322      1.45531773     -0.27960658
+C      4.75123783      2.84883683     -0.33980403
+C      6.01719274      3.29270560     -0.48655079
+H      1.22769197     -1.88753812      0.12918840
+H      0.62329832     -0.12609749      0.17521612
+H      3.53849838     -1.11191640     -0.15027511
+H      2.29186582      1.74695075     -0.04633331
+H      5.18674552      0.72003277     -0.36139998
+H      3.93686298      3.57773912     -0.25864840
+H      6.85509867      2.59670907     -0.57060301
+H      6.24759682      4.35710990     -0.52622711 
+
+12
+-1332.873184246608 13.48597 12.23106 -8.4956 -6.5255 -8.127 -0.2434 -1.7374 -0.278 7.66316 0.81799 3.9885924242 11.4742347756 0.57707836
+C      1.30080592     -0.39245398     -0.75953341
+C      2.52492642     -0.14955987     -0.24731098
+C      3.19569245      1.12656428     -0.32601879
+C      4.43086433      1.35881784      0.19481782
+C      5.10683486      2.59573007      0.13105764
+C      5.72103993      3.64820275      0.09546765
+H      0.83291303     -1.37311064     -0.67606143
+H      0.73745270      0.38805525     -1.27590439
+H      3.06167404     -0.95608161      0.26450967
+H      2.67261333      1.94265422     -0.83415957
+H      4.95464833      0.54168311      0.70365425
+H      6.25470466      4.57563856      0.06057155 
+
+14
+-1485.3241309578982 12.061566 11.71402 -8.6134 -6.6497 -8.477 0.3144 -1.2577 0.083 7.88569 0.48545 4.9816706898 4.9816706898 0.489905989
+C      2.79554678     -0.75462784     -0.86334466
+C      2.19692258      0.35003882     -0.38341054
+C      2.86796169      1.59710052      0.00314466
+C      2.13122777      2.67351411      0.36850999
+C      4.34557538      1.63890660      0.01694271
+C      5.09132268      2.66889783     -0.40946778
+H      2.21304396     -1.63805814     -1.12517373
+H      3.87418824     -0.80970353     -1.01955744
+H      1.10801614      0.35222434     -0.26727088
+H      1.04052198      2.64040216      0.34544825
+H      2.60207927      3.59590482      0.70836880
+H      4.84833150      0.74521398      0.40170355
+H      4.63700485      3.56014406     -0.84781432
+H      6.17969718      2.64336228     -0.34351863 
+
+12
+-1329.840766359807 11.700848 11.34219 -8.8522 -6.8147 -8.494 0.0541 -1.4793 -0.047 7.97319 0.62755 4.0472502008 5.1969723788 0.557125393
+C      2.83600769     -1.12091617      0.67550830
+C      2.27365561      0.05194202      0.34168276
+C      3.00830309      1.27705125     -0.00745382
+C      2.35191459      2.41944716     -0.33299467
+C      4.43784305      1.24051082      0.00305963
+C      5.65217886      1.17896590      0.02070377
+H      2.22302910     -1.98747199      0.92223363
+H      3.92075078     -1.23852675      0.70844325
+H      1.18380744      0.14631981      0.31505203
+H      1.26155726      2.44723138     -0.34090315
+H      2.89061654      3.32937693     -0.59222337
+H      6.72215598      1.13870965      0.03209164 
+
+12
+-1333.3746809794284 13.32743 12.60669 -8.4463 -6.5073 -8.158 -0.1208 -1.6769 -0.114 7.6582 0.65392 3.4764806498 5.7912868712 0.602587297
+C      0.92228748     -0.14977660      0.00000000
+C      2.26437467     -0.00308597      0.00000000
+C      2.94024022      1.23683964      0.00000000
+C      3.55553340      2.29654719      0.00000000
+C      4.29558920      3.49935721      0.00000000
+C      3.75570665      4.73678799      0.00000000
+H      0.47188843     -1.14195487      0.00000000
+H      0.25642784      0.71365888      0.00000000
+H      2.89867702     -0.89642268      0.00000000
+H      5.38608810      3.39339278      0.00000000
+H      2.67549338      4.88526337      0.00000000
+H      4.39268361      5.62084305      0.00000000 
+
+10
+-1177.9786318594458 13.225911 12.44543 -8.8746 -6.8712 -8.327 -0.2736 -1.8272 -0.065 7.85332 0.65833 3.0042675702 7.9276524414 0.989976661
+C      0.93085324     -0.07630831      0.00000000
+C      2.27555197      0.03879765      0.00000000
+C      2.97529041      1.26276618      0.00000000
+C      3.63085593      2.30159925      0.00000000
+C      4.33871722      3.45676794      0.00000000
+C      4.97816016      4.49836490      0.00000000
+H      0.45852153     -1.05810890      0.00000000
+H      0.28494955      0.80198707      0.00000000
+H      2.89312522     -0.86632958      0.00000000
+H      5.53761478      5.41079381      0.00000000 
+
+16
+-1623.7379131798484 11.838524 12.59904 -9.4818 -7.2726 -9.418 1.7039 0.0406 1.256 9.11964 -0.98925 6.577333314 6.577333314 0.8974253
+C      1.60900388     -0.69180071      1.08184632
+C      2.38133313     -0.27543937      0.07180032
+C      3.07443886      1.05358897      0.00333812
+C      4.61378998      0.92004146     -0.06944355
+C      5.30649165      2.24909287     -0.14178908
+C      6.07217342      2.66543985     -1.15690370
+H      1.13704506     -1.67542709      1.07370210
+H      1.42001996     -0.05694352      1.95188689
+H      2.54632384     -0.94616558     -0.78064746
+H      2.79439459      1.66568007      0.87661273
+H      2.73493850      1.60230215     -0.89264315
+H      4.89327666      0.30613726     -0.94163819
+H      4.95391856      0.37328967      0.82747894
+H      5.14648077      2.92007370      0.71139413
+H      6.25572299      2.03031041     -2.02792444
+H      6.54353817      3.64936986     -1.15240001 
+
+14
+-1467.9001878732577 11.276108 12.22679 -9.7269 -7.4738 -9.549 1.5505 -0.0725 1.22 9.07417 -0.6569 4.3672084724 10.6243851372 0.616644191
+C      1.54978117     -0.54614378      1.10428063
+C      2.32485572     -0.10640710      0.10676685
+C      3.06707819      1.19712564      0.10353104
+C      4.59946228      0.99087221      0.00315094
+C      5.34214593      2.24389881     -0.03427064
+C      5.93508579      3.30320340     -0.06227562
+H      1.03726916     -1.50747779      1.04853415
+H      1.39827335      0.04641631      2.01038037
+H      2.45081051     -0.73371898     -0.78423644
+H      2.83573097      1.77151306      1.01309091
+H      2.74767919      1.81042934     -0.75565312
+H      4.83240421      0.40209514     -0.90026790
+H      4.93911655      0.38708045      0.86070778
+H      6.46557697      4.23291332     -0.08851896 
+
+10
+-1173.2991169432496 12.605356 11.86576 -8.8605 -6.8447 -8.326 -0.3878 -1.9426 -0.184 7.94072 0.69915 3.9524381066 11.0131308416 0.778425159
+C      0.91449253     -0.02988743      0.00000000
+C      2.13235526      0.01154299      0.00000000
+C      3.54274165      0.00564830      0.00000000
+C      4.30659852      1.13234302      0.00000000
+C      5.71698496      1.12644767      0.00000000
+C      6.93484745      1.16787666      0.00000000
+H     -0.15606586     -0.05375754      0.00000000
+H      4.03555705     -0.97095416      0.00000000
+H      3.81378302      2.10894514      0.00000000
+H      8.00540542      1.19174534      0.00000000 
+
+8
+-1022.3842575961936 13.415926 12.2192 -9.1998 -7.2397 -8.492 -0.3266 -1.9538 0.054 8.12457 0.35104 2.6647567064 6.9108432554 3.354865306
+C      0.96492659      0.00000000      0.00000000
+C      2.18802884      0.00000000      0.00000000
+C      3.53727798      0.00000000      0.00000000
+C      4.76970488      0.00000000      0.00000000
+C      6.11895315      0.00000000      0.00000000
+C      7.34205529      0.00000000      0.00000000
+H     -0.10565595      0.00000000      0.00000000
+H      8.41263922      0.00000000      0.00000000 
+
+12
+-1311.762314478253 10.75628 11.89875 -10.092 -7.7247 -9.751 0.9227 -0.0139 1.967 9.5407 -1.78086 4.3681259688 10.6337708774 1.479602798
+C      0.96673945     -0.00217464      0.00026607
+C      2.18047581     -0.02205087      0.00016533
+C      3.63655127     -0.01075875     -0.00013153
+C      4.21483973      1.42994566     -0.00664171
+C      5.67105721      1.44154980     -0.00725529
+C      6.88476272      1.42056921     -0.00716168
+H     -0.10409435      0.00457420      0.00040741
+H      4.01462245     -0.55457256     -0.88016666
+H      4.01494483     -0.54674097      0.88455675
+H      3.83698883      1.97362638      0.87354633
+H      3.83624948      1.96592504     -0.89122380
+H      7.95560256      1.41345750     -0.00727122 
+
+16
+-1632.9121248070549 12.45532 12.38488 -8.3641 -6.332 -8.215 0.8364 -0.6625 0.402 7.68023 0.15018 5.0079929176 5.0079929176 0.732992237
+C      0.86843049     -0.14990775     -0.29315984
+C      2.34812038      0.02192267     -0.16549851
+C      3.04544646      1.13473096      0.17665661
+C      2.40890490      2.45939152      0.50785596
+C      4.50632025      1.05032235      0.22601909
+C      5.35511686      2.05047816      0.53192095
+H      0.51249916     -0.96205757      0.36212830
+H      0.59839945     -0.44666607     -1.32052346
+H      0.30026114      0.75516245     -0.04606198
+H      2.93768872     -0.87664123     -0.38347317
+H      1.31534693      2.42494329      0.45685507
+H      2.75535043      3.24178717     -0.18551457
+H      2.69073003      2.78363163      1.52177532
+H      4.92525122      0.06671276     -0.01481431
+H      5.00911066      3.05514851      0.78067291
+H      6.43276292      1.88605116      0.53987163 
+
+14
+-1473.8989303946614 11.706741 12.14404 -8.5993 -6.5745 -8.392 0.8822 -0.7095 0.647 7.92499 -0.06871 4.0730268902 11.2352269634 0.674108096
+C      0.97532133     -0.23444273     -0.00011682
+C      2.46971854     -0.07544945     -0.00029786
+C      3.13842298      1.10349972      0.00034227
+C      2.46407696      2.45654121      0.00203680
+C      4.56435568      1.11816475      0.00007803
+C      5.78031335      1.19182466      0.00026462
+H      0.69569117     -1.29520101     -0.01593980
+H      0.50886002      0.24299516     -0.87649236
+H      0.51276023      0.21480841      0.89328602
+H      3.06897898     -0.98920755     -0.00023620
+H      1.37123338      2.36760993     -0.00019009
+H      2.76943667      3.04018064     -0.87933441
+H      2.76565474      3.03550826      0.88782939
+H      6.84970596      1.24030801      0.00031042 
+
+16
+-1635.1398700192224 13.098329 13.22697 -8.0568 -6.1212 -8.005 1.0518 -0.5027 0.454 7.5804 0.14793 4.8918180356 4.8918180356 0.781977689
+C      0.79682778      0.04798184     -0.15353915
+C      2.28909384      0.01319460     -0.24443578
+C      3.12541658      0.85593116      0.39717936
+C      4.57136189      0.81292020      0.30172180
+C      5.40813359      1.65550358      0.94293779
+C      6.90035355      1.61991534      0.85130164
+H      0.39652715     -0.90549338      0.22901977
+H      0.33850354      0.19880900     -1.14494798
+H      0.45033012      0.85368906      0.50869903
+H      2.72418076     -0.76282964     -0.88610796
+H      2.69819673      1.63530367      1.04120969
+H      4.99835320      0.03339424     -0.34227981
+H      4.97369702      2.43186083      1.58464573
+H      7.24599813      0.81361506      0.18933101
+H      7.35916354      1.46937831      1.84252524
+H      7.30100258      2.57291614      0.46792961 
+
+18
+-1771.8451585295238 11.757929 12.82769 -9.0019 -6.8838 -8.986 0.9877 0.0378 1.481 8.4601 -0.84077 6.2911860246 6.2911860246 0.404996582
+C      0.86991545      1.13374360     -1.26193151
+C      2.35790628      0.95064200     -1.22054797
+C      3.14884501      1.35124538     -0.21508313
+C      4.64826106      1.21021829     -0.11328933
+C      5.29695352      0.48700533     -1.29632919
+C      5.29618034      2.59031310      0.11187196
+H      0.56610833      1.74330349     -2.12886733
+H      0.49747965      1.62603150     -0.35218849
+H      0.35047855      0.16692325     -1.36494441
+H      2.80465395      0.45017128     -2.08698136
+H      2.67746636      1.85269137      0.64149286
+H      4.84852160      0.61123885      0.79726295
+H      5.14309043      1.04341373     -2.23432661
+H      4.88724304     -0.52464541     -1.42936949
+H      6.38136854      0.39345739     -1.13984964
+H      5.14970694      3.23376818     -0.76943735
+H      6.37767276      2.49217672      0.28881010
+H      4.85582818      3.10363194      0.97942792 
+
+16
+-1634.3547168674538 12.44966 12.54409 -8.4018 -6.3652 -8.251 0.7922 -0.6968 0.41 7.73782 0.14638 5.0652248552 5.0652248552 0.747394977
+C      0.85784097      0.06017365     -0.02463905
+C      2.32497731      0.05928884     -0.31693582
+C      3.23012341      0.84412420      0.30196183
+C      4.66948961      0.87127137      0.04365703
+C      5.24160865     -0.04813161     -1.00546504
+C      5.46242177      1.71320791      0.74255556
+H      0.51526182     -0.93595801      0.30036086
+H      0.27186350      0.30953074     -0.92446575
+H      0.60139386      0.78348169      0.76192294
+H      2.66371336     -0.63653876     -1.09201576
+H      2.87646601      1.53606390      1.07608456
+H      4.79372969      0.14787386     -1.99213947
+H      5.03844534     -1.10280091     -0.76271057
+H      6.32793280      0.08072316     -1.09062055
+H      5.04809515      2.37905364      1.50211471
+H      6.53916674      1.75706634      0.57296454 
+
+14
+-1480.2864353306672 12.440975 13.37889 -8.4651 -6.3622 -8.191 1.0032 -0.5335 0.714 7.80323 -0.12145 3.866813375 10.8140093256 0.463632937
+C      0.88599188     -0.01510413      0.07124197
+C      2.37664496     -0.00212069      0.16975939
+C      3.16145858      1.02484025     -0.22261529
+C      4.57578466      1.04786677     -0.13029016
+C      5.79277661      1.11410272     -0.06547111
+C      7.24228156      1.18112119      0.02032721
+H      0.53607400     -0.86027689     -0.54436087
+H      0.49813717      0.91421396     -0.36892171
+H      0.42427603     -0.14610566      1.06368651
+H      2.85688593     -0.89060454      0.59257575
+H      2.68743804      1.91871564     -0.64720285
+H      7.58617410      2.22033479      0.13387173
+H      7.71592851      0.77079429     -0.88493730
+H      7.61725798      0.60723230      0.88138674 
+
+16
+-1626.853604361624 12.00303 12.7857 -9.1958 -6.9982 -8.912 1.3968 -0.1671 1.032 8.41769 -0.5976 6.0289060402 6.0289060402 0.678882661
+C      0.49118257      0.18529108      0.01095381
+C      1.94505890     -0.08445682      0.25357049
+C      2.94569890      0.75357394     -0.05023463
+C      4.40856691      0.48703536      0.19874163
+C      5.01843899      1.49495005      1.13934123
+C      6.01056011      2.33645968      0.82732664
+H      0.05311960     -0.56767371     -0.66413989
+H      0.33440114      1.17706084     -0.43570869
+H     -0.08570116      0.13626770      0.94852797
+H      2.19233453     -1.05110478      0.71122291
+H      2.70843310      1.72506662     -0.50159368
+H      4.96327401      0.50744776     -0.75551910
+H      4.52229724     -0.52762261      0.61829128
+H      4.57801090      1.53233094      2.14231443
+H      6.46724160      2.33484691     -0.16618420
+H      6.40111267      3.05229704      1.55208981 
+
+14
+-1470.087874419226 11.307075 12.37212 -9.3397 -7.2088 -9.055 1.2079 0.0438 1.224 8.59028 -0.62124 4.355566187 10.720945434 0.836291205
+C      0.77354023      0.02364846      0.15525349
+C      2.26914959      0.03004310      0.23552419
+C      3.06244030      0.98535468     -0.26361824
+C      4.57046329      0.97875074     -0.15857358
+C      5.23486256      1.06282856     -1.45826190
+C      5.76910551      1.14228151     -2.54546360
+H      0.40978363     -0.87249017     -0.37268277
+H      0.39265460      0.90982919     -0.37098319
+H      0.32154621     -0.00050343      1.15991388
+H      2.73363978     -0.82372654      0.74510363
+H      2.62296899      1.84060217     -0.78854917
+H      4.90368801      0.06906285      0.36780083
+H      4.90441386      1.83357829      0.45775509
+H      6.24498344      1.20414057     -3.50256868 
+
+16
+-1632.5682347316313 11.87728 11.96465 -8.668 -6.6367 -8.526 0.5768 -0.9146 0.356 7.94374 0.15845 5.2490588974 5.2490588974 0.711124287
+C      1.09838145     -0.13570344      0.51332231
+C      2.46438332     -0.01041339     -0.11771021
+C      3.04281738     -1.08737585     -0.69200857
+C      3.13915877      1.30610480     -0.08890424
+C      4.50445914      1.43179436     -0.72138349
+C      2.56091233      2.38295292      0.48584395
+H      0.37232822      0.53866025      0.03385728
+H      1.12515829      0.12421606      1.58263771
+H      0.72233052     -1.16223223      0.42142612
+H      2.53494626     -2.05292900     -0.70693699
+H      4.02597920     -1.04423706     -1.15976330
+H      4.47443117      1.17948471     -1.79247926
+H      5.22971755      0.75207361     -0.24842462
+H      4.88360699      2.45659037     -0.62311962
+H      1.57785151      2.33973992      0.95371441
+H      3.06891790      3.34843396      0.50102852 
+
+16
+-1626.9426866136669 11.644643 12.15447 -9.3411 -7.1539 -9.13 1.2688 -0.2473 1.028 8.48819 -0.58791 6.2187534034 6.2187534034 0.650887927
+C      0.70036698     -0.23862329      0.50165345
+C      2.10558001     -0.51770622      0.04224716
+C      2.49848344     -1.72833450     -0.38187080
+C      3.06664911      0.65800823      0.07914479
+C      2.71144616      1.73750054     -0.91114641
+C      2.42652738      3.00720436     -0.60113738
+H      0.69429434      0.09858443      1.55152904
+H      0.06338482     -1.12885067      0.42142943
+H      0.24650871      0.57338199     -0.08775828
+H      1.80715227     -2.57293003     -0.41405668
+H      3.52486005     -1.91298671     -0.70598249
+H      4.08359468      0.28972970     -0.13618690
+H      3.08315035      1.09227546      1.09418634
+H      2.68979227      1.42339985     -1.96122591
+H      2.43462862      3.35660549      0.43483681
+H      2.18258081      3.74153135     -1.37037216 
+
+14
+-1470.3714882040215 11.040277 11.78476 -9.4683 -7.3592 -9.262 1.18 -0.1525 1.236 8.65185 -0.62718 4.3511522854 10.6063575728 0.839314322
+C      1.05210806      0.07332593      0.26993438
+C      2.50634412     -0.20714849      0.01698629
+C      2.98920637     -1.43761388     -0.20174312
+C      3.42984116      1.00438018     -0.00447340
+C      3.43426330      1.76228502      1.24520838
+C      3.43102123      2.38495584      2.28739124
+H      0.91673479      0.57953557      1.23838238
+H      0.45876812     -0.84957950      0.26872218
+H      0.64437191      0.75080141     -0.49870783
+H      2.33241549     -2.30962600     -0.20898799
+H      4.05201310     -1.61357545     -0.37849242
+H      3.11613586      1.68081148     -0.82127293
+H      4.45689377      0.68381353     -0.23999641
+H      3.43324272      2.93509433      3.20607925 
+
+16
+-1623.4542130791351 11.694625 12.27168 -9.4179 -7.301 -9.221 1.3713 -0.2663 1.009 8.80161 -0.66448 6.2356031008 6.2356031008 0.460662848
+C      0.88170332      0.05224535      0.00752456
+C      2.42147362      0.04992231     -0.10767968
+C      2.86058897     -0.69810570     -1.34465748
+C      3.63515808     -1.78800059     -1.34881954
+C      2.95427884      1.46332084     -0.13731190
+C      3.80029685      1.98410121      0.75760391
+H      0.56222068      0.58601915      0.91359295
+H      0.49507497     -0.97580764      0.04706896
+H      0.42389702      0.55311096     -0.85979818
+H      2.84420816     -0.46118304      0.77461678
+H      2.49482242     -0.29500468     -2.29789511
+H      4.02003932     -2.21679162     -0.41952797
+H      3.91337557     -2.28775494     -2.27789093
+H      2.59707696      2.08805092     -0.96621010
+H      4.17921444      1.39182852      1.59498204
+H      4.14512079      3.01661897      0.68466166 
+
+14
+-1467.1403027119927 10.933652 11.63794 -9.7016 -7.4767 -9.472 1.1507 -0.0647 1.268 9.0373 -0.67089 4.332938742 10.6552700498 0.688577919
+C      0.99108587     -0.05588779      0.28622900
+C      2.50586333     -0.00857863     -0.03070049
+C      2.81124007     -0.77496126     -1.30400260
+C      3.42322046     -0.29580738     -2.38996665
+C      2.99607580      1.36826434     -0.04741499
+C      3.38360813      2.51867842     -0.05620287
+H      0.78201754      0.43042094      1.24779833
+H      0.64842073     -1.09890097      0.33871771
+H      0.42247958      0.45955284     -0.49914339
+H      3.02814184     -0.53259290      0.79372741
+H      2.46992159     -1.81575355     -1.28528656
+H      3.77367550      0.73753953     -2.43256969
+H      3.59126053     -0.92631493     -3.26361870
+H      3.72421904      3.53386134     -0.06095650 
+
+18
+-1773.0363268496326 11.783591 12.57883 -8.3897 -6.2684 -8.344 0.8782 -0.0154 1.55 7.78225 -0.82669 5.7574882876 11.4971225912 0.403733995
+C      0.94482993     -0.12445101     -0.00147545
+C      2.44839730     -0.00807971     -0.00331298
+C      3.16136428     -1.35088303     -0.00865013
+C      3.12706492      1.16292552     -0.00116229
+C      2.48900040      2.52944784      0.00269634
+C      4.63517837      1.22252782     -0.00242481
+H      0.42171993      0.83798193      0.00848011
+H      0.60478575     -0.70022336      0.87619709
+H      0.60068696     -0.68471464     -0.88765137
+H      2.43550053     -2.17558138     -0.00441359
+H      3.80699316     -1.48361650      0.87329349
+H      3.79531062     -1.48244975     -0.89929344
+H      1.39397730      2.51107271     -0.00733509
+H      2.82203274      3.11309086     -0.87257485
+H      2.80656496      3.10183172      0.89115268
+H      5.11235964      0.23626752     -0.00126110
+H      5.00281925      1.77682898      0.87823068
+H      5.00152395      1.77391445     -0.88545532 
+
+16
+-1633.880323104767 12.837619 12.61652 -8.1836 -6.2223 -8.066 0.8124 -0.7132 0.418 7.54939 0.1841 4.8853707636 4.8853707636 0.781955667
+C      0.97120759      0.07235232     -0.10689308
+C      2.45206811     -0.16110645      0.01187319
+C      2.88986663     -1.57879085     -0.23221089
+C      3.28936333      0.86163703      0.31802129
+C      4.73030868      0.81077390      0.46953105
+C      5.49121860      1.88070528      0.77737131
+H      0.70430957      1.12083011      0.07889927
+H      0.41377974     -0.55787252      0.60677930
+H      0.60716146     -0.20425626     -1.11097476
+H      2.38969178     -2.26269277      0.47375380
+H      3.97128293     -1.72611722     -0.13663677
+H      2.58986997     -1.90574711     -1.24189195
+H      2.83931300      1.84977451      0.47198253
+H      5.22751343     -0.15327041      0.32499496
+H      5.04606454      2.86672200      0.93225436
+H      6.57316062      1.80160846      0.88250637 
+
+14
+-1477.6180385715306 11.874664 12.06082 -8.5748 -6.5573 -8.28 0.8511 -0.7176 0.65 7.84134 -0.04466 4.057193878 11.3531624466 0.435170998
+C      0.90376342      0.06692915     -0.10688546
+C      2.40043373     -0.02075156     -0.03245754
+C      2.99210231     -1.39901587     -0.05085921
+C      3.16004798      1.10047280      0.04763826
+C      4.57448918      1.12901202      0.12191979
+C      5.78954760      1.20263688      0.18613517
+H      0.54883013      1.10554516     -0.08791221
+H      0.43857683     -0.47441838      0.73332235
+H      0.52975273     -0.41094884     -1.02759967
+H      2.60552986     -1.99571470      0.79175273
+H      4.08692936     -1.37437307      0.00845859
+H      2.69983556     -1.93415389     -0.96939961
+H      2.66081480      2.07489825      0.05722587
+H      6.85700651      1.25999205      0.24306093 
+
+18
+-1769.2937724941428 11.551267 12.3015 -9.5327 -7.3475 -9.42 0.9106 0.0114 1.406 8.84763 -0.81527 6.6354455522 6.6354455522 0.442575187
+C      0.92614685     -0.08747591     -0.07327180
+C      2.46464746     -0.04186496      0.06457336
+C      2.88670296     -0.78024765      1.34255065
+C      3.09932399     -0.73212988     -1.16377659
+C      2.89525407      1.41146713      0.06330244
+C      3.56793246      2.06525290      1.01722083
+H      0.59405832      0.43171814     -0.98506776
+H      0.43997422      0.39428593      0.78746731
+H      0.57480439     -1.12923463     -0.13037503
+H      2.44018533     -0.32191930      2.23737712
+H      3.97992287     -0.77864075      1.46509790
+H      2.55527573     -1.82839716      1.30166353
+H      2.80999024     -0.22551358     -2.09696017
+H      2.76831524     -1.77991634     -1.23117357
+H      4.19697193     -0.72029124     -1.09770101
+H      2.60504302      1.96223443     -0.84087685
+H      3.88823950      1.58146471      1.94185170
+H      3.82287143      3.11967819      0.90175793 
+
+16
+-1613.6034857736242 11.102766 12.07866 -9.9546 -7.6144 -9.702 0.8845 -0.0135 2.426 9.24945 -1.96671 4.330335036 10.5832093866 0.644203524
+C      0.96839061     -0.00885567     -0.01660851
+C      2.51428604     -0.01670843      0.00065592
+C      3.01890084     -0.73296047      1.27444489
+C      3.04709270     -0.74558239     -1.25430978
+C      3.00457141      1.36864913     -0.00054171
+C      3.40998609      2.51382284     -0.00094036
+H      0.58995325      0.50126489     -0.91307380
+H      0.57006049      0.50856899      0.86695671
+H      0.58934384     -1.04192560     -0.01661328
+H      2.65572844     -0.22506303      2.17844619
+H      4.11703711     -0.74699165      1.30606560
+H      2.65595602     -1.77171058      1.28789756
+H      2.70022306     -0.24973847     -2.17132590
+H      2.68844058     -1.78587674     -1.26291091
+H      4.14568383     -0.75558197     -1.26376216
+H      3.76734570      3.52322915     -0.00115046 
+
+18
+-1771.2826273711012 11.548481 12.3733 -9.2033 -7.0133 -9.094 0.8993 0.0051 1.476 8.45545 -0.8333 6.3752485326 6.3752485326 0.414122288
+C      0.95261288     -0.13335324     -0.23676222
+C      2.46785662      0.05686766     -0.04261329
+C      3.25827406     -0.84404907     -1.00817308
+C      2.87878158      1.51874417     -0.15219184
+C      2.68403113      2.21178984     -1.47678897
+C      3.39719818      2.16569355      0.90364354
+H      0.38035948      0.49679639      0.45897197
+H      0.67268696     -1.18212154     -0.05754070
+H      0.64114176      0.11909392     -1.26177569
+H      2.71317598     -0.26113306      0.98529604
+H      3.01734963     -0.62074209     -2.05865178
+H      3.01154055     -1.90167646     -0.83260627
+H      4.34223407     -0.71950346     -0.87250487
+H      1.62934183      2.19072835     -1.79355230
+H      3.26344655      1.72348953     -2.27622947
+H      3.00029138      3.26161186     -1.42334585
+H      3.54035909      1.66325057      1.86296824
+H      3.69394826      3.21510310      0.84353654 
+
+18
+-1769.326182398206 11.63595 12.56154 -9.5619 -7.3126 -9.483 1.0752 0.0624 1.375 8.94565 -0.80619 6.6535103124 6.6535103124 0.445052072
+C      0.90715540     -0.06197290      0.08116448
+C      2.42205667     -0.12277125     -0.14284450
+C      2.76427072     -0.93555616     -1.39584231
+C      3.01593992      1.30356612     -0.20800104
+C      4.51486572      1.34220163     -0.25822332
+C      5.24622009      1.91497746     -1.22155420
+H      0.65771168      0.49385774      0.99735992
+H      0.47686223     -1.07034793      0.16942188
+H      0.40780278      0.44047741     -0.76286899
+H      2.87582865     -0.62969938      0.72905502
+H      2.30810756     -0.48095680     -2.29067148
+H      2.38618947     -1.96514311     -1.31432468
+H      3.84930433     -0.98171189     -1.56356689
+H      2.67653874      1.85483335      0.68790268
+H      2.59888114      1.83355362     -1.08221639
+H      5.03251508      0.85232117      0.57608371
+H      4.77492027      2.41195968     -2.07360216
+H      6.33692954      1.90959122     -1.19212174 
+
+16
+-1613.9620657902021 11.120247 12.22347 -10.025 -7.6141 -9.808 0.9213 -0.0059 2.337 9.3879 -1.96164 4.3550206486 10.4740397136 0.544818118
+C      0.92019787      0.03731521      0.08263599
+C      2.44448080     -0.04140964     -0.04564920
+C      2.86173477     -0.82267255     -1.29448260
+C      3.04632799      1.38672664     -0.04219592
+C      4.50318977      1.42184906     -0.02524272
+C      5.71755380      1.43053212     -0.00779096
+H      0.61620472      0.56973253      0.99627553
+H      0.47700146     -0.96842115      0.11549833
+H      0.48044292      0.56619100     -0.77846861
+H      2.84443110     -0.56374557      0.84088676
+H      2.46875400     -0.34094503     -2.20475011
+H      2.46909559     -1.84942210     -1.26350954
+H      3.95557864     -0.87616262     -1.38491561
+H      2.66600456      1.93832682      0.83456908
+H      2.68055033      1.93199635     -0.93128450
+H      6.78802169      1.44537892      0.00924409 
+
+12
+-1308.0770196064113 10.527284 11.57784 -10.1096 -7.7221 -9.561 0.9476 -0.0755 1.83 9.26017 -1.55948 4.327669337 10.7316206286 1.020958494
+C      0.95969447     -0.03386326      0.02215192
+C      2.50858274     -0.00427700     -0.02022079
+C      3.02728090     -0.76260060     -1.16582643
+C      3.42971685     -1.41421291     -2.10594311
+C      3.01900224      1.37280593     -0.01190742
+C      3.41361742      2.51910860      0.01387163
+H      0.60162191      0.50187332      0.91029676
+H      0.60905203     -1.07295550      0.05940257
+H      0.54779383      0.44780294     -0.87316751
+H      2.88139848     -0.49839300      0.89694804
+H      3.79084804     -1.97893817     -2.94096219
+H      3.76979109      3.52883962      0.02780653 
+
+16
+-1619.7429490454253 11.481283 13.07566 -9.3388 -7.0635 -9.123 0.8704 -0.0194 2.496 8.74207 -2.04679 4.1273451568 10.1995471082 0.476902889
+C      0.95776353     -0.00374404      0.00635581
+C      2.41399754     -0.00389301      0.00672950
+C      3.63071751     -0.00499787      0.00876550
+C      5.09568851      0.00691174     -0.01212030
+C      5.64231314     -0.77066010     -1.22526403
+C      5.64199691      1.44760943      0.02191949
+H      0.55932655      1.02202755      0.01750616
+H      0.55738864     -0.52627586      0.88824456
+H      0.55935436     -0.50614493     -0.88802666
+H      5.44602158     -0.50704682      0.90214658
+H      5.32329580     -0.29347536     -2.16330887
+H      5.27680208     -1.80615835     -1.22816902
+H      6.74180913     -0.78872317     -1.20254460
+H      5.32339719      2.00095848     -0.87346696
+H      6.74148777      1.43778672      0.04982167
+H      5.27589975      1.98821560      0.90487116 
+
+14
+-1479.4741392047893 11.960906 12.80591 -8.5648 -6.552 -8.417 0.9703 -0.6181 0.733 7.91573 -0.16186 3.8339818822 5.871109058 0.452133275
+C      0.98291552     -0.04162019     -0.10840976
+C      2.43450840      0.00327446     -0.04544380
+C      3.65155039      0.06518124      0.00959789
+C      5.07766706      0.06098338      0.06507250
+C      5.74681911     -1.28999672     -0.05530613
+C      5.78034264      1.20418224      0.21682012
+H      0.55936202      0.96319036     -0.25457355
+H      0.55801667     -0.45245609      0.82036149
+H      0.64002368     -0.67617594     -0.93974825
+H      5.41081290     -1.96053470      0.74938244
+H      6.83911786     -1.19419056     -0.00266814
+H      5.47765351     -1.77227791     -1.00668693
+H      5.28108091      2.16887745      0.30272105
+H      6.87028932      1.18680298      0.25716106 
+
+12
+-1329.6387808525392 12.666069 13.79539 -8.7511 -6.654 -8.323 1.3807 -0.2392 1.194 7.9832 -0.74927 3.11018881 7.7210669682 2.108469915
+C      0.96460821     -0.00003443     -0.00001045
+C      2.41454680      0.00003394     -0.00000935
+C      3.63829337      0.00009020     -0.00000295
+C      4.99802686      0.00009020      0.00000295
+C      6.22177344      0.00003394      0.00000935
+C      7.67171171     -0.00003443      0.00001045
+H      0.56722948      1.02652871      0.01175043
+H      0.56725583     -0.52347289      0.88315389
+H      0.56723862     -0.50312553     -0.89491155
+H      8.06909039      1.02652871     -0.01175043
+H      8.06906404     -0.52347289     -0.88315389
+H      8.06908125     -0.50312553      0.89491155 
+
+14
+-1473.3713397489564 11.476711 12.88763 -9.4553 -7.1388 -9.071 1.2399 -0.0339 1.229 8.66781 -0.66142 4.1398181484 10.3029514322 0.529674579
+C      0.93472585     -0.03732076     -0.03248753
+C      2.39002474     -0.01201276     -0.00800547
+C      3.60556462      0.00110384      0.01886420
+C      5.06740757      0.04474142      0.04326351
+C      5.61638746      1.45327209      0.01166981
+C      6.46929227      1.95146859      0.91114823
+H      0.52009925      0.98182383     -0.02006880
+H      0.53190010     -0.57133439      0.84119916
+H      0.55814837     -0.54070225     -0.93554810
+H      5.45339823     -0.51101026     -0.83137433
+H      5.44693488     -0.48067808      0.93546324
+H      5.27040799      2.07616445     -0.81914787
+H      6.82107495      1.35582878      1.75744559
+H      6.84477374      2.97262549      0.83355837 
+
+12
+-1314.9318358981639 10.801725 12.47731 -9.647 -7.2939 -9.218 0.8378 -0.0505 1.933 8.84371 -1.65802 4.1585400344 10.3158707734 1.041067684
+C      0.92747741     -0.05673552     -0.00001904
+C      2.38194299     -0.01662806     -0.00005499
+C      3.59556848      0.02398263     -0.00004399
+C      5.06002530      0.05709352     -0.00007737
+C      5.62522478      1.40909809      0.00004052
+C      6.11071263      2.52006257      0.00013413
+H      0.50637873      0.95952861      0.01129846
+H      0.54386089     -0.58849555      0.88332459
+H      0.54322528     -0.56900533     -0.89452907
+H      5.44185896     -0.48945817     -0.88066524
+H      5.44191526     -0.48963944      0.88037380
+H      6.53247930      3.50422665      0.00021819 
+
+18
+-1771.6084574106671 11.949601 13.09376 -9.0551 -6.913 -8.958 1.2901 0.1397 1.487 8.42506 -0.8474 6.281502718 6.281502718 0.413810678
+C      2.67687665     -1.06646650      1.27026428
+C      3.24993540     -0.42936139     -0.00548586
+C      3.16243668      1.06974295      0.00427132
+C      4.20504308      1.90978074     -0.05811823
+C      4.12067786      3.40849185     -0.01504021
+C      4.86895101      4.01127188      1.18434136
+H      2.74061435     -2.16351327      1.22951996
+H      1.61855077     -0.79712746      1.40768633
+H      3.22572680     -0.72379784      2.15954986
+H      2.69602568     -0.82236454     -0.87701763
+H      4.30024317     -0.73530469     -0.13937505
+H      2.15182001      1.49379916      0.08647799
+H      5.21623389      1.48533214     -0.13095028
+H      3.06276679      3.71665092      0.00820686
+H      4.54777615      3.82552205     -0.94480084
+H      4.44730280      3.64655767      2.13231388
+H      4.80637055      5.10911178      1.18085149
+H      5.93457837      3.73627456      1.16621477 
+
+18
+-1773.5840261292972 11.8958 12.84826 -8.7275 -6.608 -8.645 0.9247 0.0049 1.535 8.08834 -0.85417 6.0380438084 6.0380438084 0.395200619
+C      2.08712345     -0.65126281      1.45697765
+C      2.75613767     -0.24303774      0.13421717
+C      3.24269293      1.17827853      0.14698448
+C      4.49970983      1.63884699     -0.00505572
+C      5.71004506      0.77193634     -0.23490223
+C      4.79201032      3.11689927      0.04042737
+H      1.69465337     -1.67738995      1.40345468
+H      1.24696183      0.01725284      1.69880065
+H      2.80247253     -0.60041035      2.29076141
+H      2.02066944     -0.35941596     -0.68223734
+H      3.57561841     -0.94066480     -0.09407625
+H      2.45716709      1.92669630      0.31439554
+H      5.48041958     -0.29988195     -0.25048390
+H      6.46470794      0.94726123      0.55024374
+H      6.19441818      1.02925835     -1.19195225
+H      3.88365848      3.70915361      0.21489830
+H      5.24836347      3.45766370     -0.90454465
+H      5.51653044      3.35340642      0.83770136 
+
+16
+-1631.4280107133195 12.869858 12.90911 -8.4815 -6.4445 -8.296 0.7322 -0.7861 0.362 7.81356 0.19638 5.0634146596 5.0634146596 0.820655803
+C      2.09502278     -0.80762434     -1.17334540
+C      2.88639723     -0.26427735      0.02754637
+C      3.02801841      1.22664626      0.00574451
+C      4.19679532      1.89961291     -0.03228607
+C      4.30771222      3.34615119     -0.06176057
+C      5.47160032      4.02294790     -0.10881019
+H      1.97565346     -1.89837654     -1.10538691
+H      2.60800493     -0.57634905     -2.11783246
+H      1.09006970     -0.36198375     -1.22114286
+H      3.88439329     -0.72987045      0.06367148
+H      2.36689730     -0.56367473      0.95604881
+H      2.09322064      1.80295644      0.00798140
+H      5.13683284      1.33338180     -0.04093691
+H      3.36560179      3.90633318     -0.04396941
+H      6.43105332      3.50027059     -0.12820713
+H      5.49756646      5.11239594     -0.13040465 
+
+14
+-1473.02988561013 12.034037 12.50179 -8.8751 -6.7817 -8.527 0.6974 -0.8808 0.576 8.12263 -0.0118 4.0924802936 5.9300272052 0.45385042
+C      0.86218292     -0.24628969     -0.12922859
+C      2.35901406     -0.02696990      0.14534861
+C      2.75115717      1.41628555      0.09660845
+C      3.31232366      2.09407954      1.12040179
+C      3.67892732      3.46250561      1.07653201
+C      4.00793022      4.63528628      1.08198676
+H      0.61636569     -1.31745777     -0.12153549
+H      0.57556962      0.15775427     -1.11139086
+H      0.24577644      0.25331714      0.63139279
+H      2.94103961     -0.57996430     -0.61387917
+H      2.63244687     -0.45397532      1.12337263
+H      2.55316617      1.95169394     -0.83865291
+H      3.51079783      1.56959732      2.06256784
+H      4.29384242      5.66684732      1.07332614 
+
+18
+-1770.9027166080484 11.528477 12.50961 -9.066 -7.0001 -9.125 1.0056 0.0012 1.475 8.48841 -0.82793 6.3953342646 6.3953342646 0.396752129
+C      0.94023950     -0.13067620     -0.10011744
+C      2.44190067      0.13437120     -0.01851579
+C      2.87530051      1.58426131     -0.02643769
+C      2.01257655      2.60833979     -0.12377173
+C      4.36510849      1.82994101      0.08921475
+C      5.17192043      1.39675613     -1.14657917
+H      0.73725528     -1.21032009     -0.07617265
+H      0.51095938      0.26861004     -1.03067234
+H      0.40437984      0.32957785      0.74287851
+H      2.94821127     -0.38862598     -0.84929426
+H      2.85014719     -0.33374809      0.89659593
+H      0.93641463      2.45755244     -0.21412130
+H      2.36549406      3.64150168     -0.11460925
+H      4.75193073      1.29182740      0.97319260
+H      4.53630860      2.90151194      0.27471717
+H      5.10315493      0.31408938     -1.32451932
+H      6.23600980      1.64256569     -1.01926487
+H      4.80939815      1.91124451     -2.04855314 
+
+16
+-1629.3878474623848 11.957584 12.00079 -8.7027 -6.653 -8.541 0.5855 -0.9515 0.305 7.9754 0.20396 5.2271133754 5.2271133754 0.725993902
+C      2.61439861     -0.56520390      1.26389140
+C      2.35491813      0.18700438     -0.05250654
+C      2.90087330      1.59921364     -0.04995588
+C      2.08743193      2.65878924      0.15247034
+C      4.33508739      1.82436268     -0.25261513
+C      5.26234239      0.89131045     -0.53750947
+H      2.22373223     -1.59157016      1.20964026
+H      2.11984770     -0.05626580      2.10359685
+H      3.68717801     -0.62074670      1.49421836
+H      1.27120336      0.22845512     -0.23933296
+H      2.79279572     -0.37653668     -0.89286070
+H      1.01192827      2.53444214      0.29098441
+H      2.47898959      3.67771379      0.18215868
+H      4.65648678      2.86862937     -0.17085004
+H      5.01558089     -0.16707983     -0.63837972
+H      6.30662569      1.16738226     -0.68485988 
+
+14
+-1472.0495867928635 11.379441 11.79368 -9.0053 -6.9566 -8.761 0.6841 -0.9432 0.585 8.25396 -0.05067 4.0596240036 11.2707241552 0.451066572
+C      1.05464756     -0.22902653      0.26363252
+C      2.50985423      0.02150970     -0.15213853
+C      2.89620565      1.48909911     -0.12709659
+C      3.24561242      2.16769972     -1.24016965
+C      2.86734709      2.13486463      1.14589361
+C      2.82663571      2.63257525      2.25633069
+H      0.82921960     -1.30463915      0.25499618
+H      0.35816141      0.27302375     -0.42329226
+H      0.86324491      0.15112212      1.27692178
+H      2.68846908     -0.36549618     -1.16668334
+H      3.18209551     -0.52894806      0.52688146
+H      3.26742374      1.66823611     -2.21004282
+H      3.51569617      3.22278597     -1.20309440
+H      2.79815693      3.09436355      3.22198135 
+
+18
+-1772.9161434033008 11.769376 12.71792 -8.7396 -6.5946 -8.657 0.9205 0.0069 1.53 8.09336 -0.84947 6.0367295568 6.0367295568 0.385825027
+C      1.95125875     -0.33140013      1.46054884
+C      2.53437392      0.08098058      0.09875698
+C      3.04213966      1.50702940      0.04457886
+C      1.99171260      2.57647546      0.20192396
+C      4.35417372      1.75280374     -0.14103127
+C      5.05303064      3.07709814     -0.22375944
+H      1.61927794     -1.37958634      1.44076781
+H      1.08239204      0.28291740      1.73771194
+H      2.70445130     -0.22815595      2.25584900
+H      1.75461796     -0.05123308     -0.67400023
+H      3.35570272     -0.60329792     -0.16603309
+H      1.17525313      2.42368687     -0.52363478
+H      2.38561546      3.58907698      0.05745166
+H      1.53026935      2.53985869      1.20193725
+H      5.00963908      0.87977728     -0.24950563
+H      4.37545352      3.93241720     -0.10848230
+H      5.57173026      3.18767047     -1.19048507
+H      5.82979795      3.16047119      0.55418550 
+
+18
+-1769.0198852566823 11.611939 12.51449 -9.5463 -7.3455 -9.421 1.0132 0.1238 1.4 8.86171 -0.82226 6.6279443992 6.6279443992 0.440226552
+C      3.17557634     -1.08930599     -0.69716461
+C      2.62197250     -0.11611776      0.34375316
+C      3.12732842      1.33569625      0.19172064
+C      2.40599446      2.26306036      1.18517586
+C      4.61776272      1.42258234      0.38580345
+C      5.50232521      1.85767817     -0.51859700
+H      2.77588470     -2.10181471     -0.54211806
+H      4.27274215     -1.14694943     -0.65037978
+H      2.90472323     -0.77547402     -1.71728863
+H      2.87306973     -0.47085022      1.35927611
+H      1.52026540     -0.10268825      0.28908675
+H      2.89540304      1.67354619     -0.83512885
+H      2.62659208      1.97028679      2.22384943
+H      1.31573265      2.21125023      1.04661072
+H      2.72180203      3.30762047      1.05611237
+H      4.97977253      1.09949081      1.37121975
+H      5.18520255      2.18762052     -1.51151545
+H      6.57070026      1.90039824     -0.30034586 
+
+16
+-1612.6222639419277 11.145205 12.30761 -9.9321 -7.5825 -9.739 0.9322 -0.0015 2.368 9.29466 -1.94937 4.3444818386 10.559949613 0.640779853
+C      0.97235772     -0.13045741     -0.08890089
+C      2.48933121     -0.01927813      0.06887335
+C      3.02423849      1.43452304      0.01640725
+C      2.49876232      2.31258631      1.16954806
+C      4.48719944      1.43699356     -0.00614633
+C      5.70194164      1.42598070     -0.00369822
+H      0.66423487     -1.18528270     -0.11193877
+H      0.63282465      0.33432985     -1.02766665
+H      0.43107735      0.34950262      0.73874193
+H      2.98615122     -0.59302070     -0.72855182
+H      2.80887941     -0.47273611      1.02171809
+H      2.67956581      1.88053339     -0.93606541
+H      2.79698312      1.89063669      2.14036980
+H      1.40317048      2.38269453      1.14049577
+H      2.90833346      3.32875046      1.10040950
+H      6.77264879      1.42080389     -0.01046565 
+
+16
+-1619.0496085455702 11.516662 13.14819 -9.3342 -7.0245 -9.123 0.9116 0.0294 2.45 8.74304 -2.05537 4.1234891922 11.7102049308 0.698952099
+C      0.97202798     -0.08475956      0.00245474
+C      2.51003801     -0.02751911      0.00093731
+C      3.03050476      1.33686098      0.00169468
+C      3.43669978      2.48410491      0.00211390
+C      3.89103504      3.87189703     -0.00074740
+C      2.74293962      4.88045790     -0.18364812
+H      0.62389783     -1.12726597      0.00190824
+H      0.56380449      0.41806357     -0.88484377
+H      0.56566791      0.41656748      0.89145413
+H      2.89971194     -0.56508690     -0.88055696
+H      2.90142914     -0.56651932      0.88078763
+H      4.63590974      4.00922848     -0.80332288
+H      4.42198388      4.08267480      0.94346154
+H      2.22478790      4.71032339     -1.13726399
+H      3.12767150      5.90997824     -0.17612945
+H      2.00513048      4.77960409      0.62400041 
+
+14
+-1476.0592290165698 12.133438 12.89674 -8.7792 -6.6676 -8.497 0.8002 -0.8129 0.611 8.06826 -0.06734 3.8031217668 11.5573921858 0.512857531
+C      0.96972846     -0.13479063      0.00315749
+C      2.50402272     -0.02326300      0.00002009
+C      2.98590039      1.35168524     -0.00002658
+C      3.35110100      2.51664651     -0.00002880
+C      3.84008774      3.84743639     -0.00004696
+C      3.07379484      4.95608265      0.00002677
+H      0.66392504     -1.19015289      0.00302602
+H      0.54170650      0.35046875     -0.88412108
+H      0.54543911      0.34916247      0.89293946
+H      2.91354134     -0.54671376     -0.88112633
+H      2.91725087     -0.54797708      0.87867572
+H      4.93055689      3.95606222     -0.00007194
+H      1.98481565      4.89436049      0.00005802
+H      3.52804945      5.94664265      0.00000812 
+
+12
+-1321.400651527331 12.13198 12.73275 -9.2161 -7.0691 -8.684 0.9123 -0.6911 1.023 8.32575 -0.62169 3.2098859526 7.903177605 1.904353771
+C      0.98536184     -0.04768047      0.00334681
+C      2.52331879      0.03488294     -0.00012573
+C      3.02675358      1.39785611      0.00005619
+C      3.43156651      2.55258922      0.00012105
+C      3.88385433      3.83461332      0.00011768
+C      4.28905798      4.98662613      0.00008013
+H      0.66439382     -1.09810071      0.00250629
+H      0.56654414      0.44509597     -0.88375623
+H      0.57069672      0.44240287      0.89388630
+H      2.92412325     -0.49229393     -0.88284535
+H      2.92821022     -0.49409890      0.87964359
+H      4.64397883      5.99607745      0.00003925 
+
+18
+-1771.9916711675212 11.937086 13.2476 -9.1012 -6.8778 -8.999 1.0264 0.1511 1.473 8.48248 -0.84488 6.302146387 6.302146387 0.415727641
+C      1.39531314     -0.76435643      0.28463671
+C      2.89211992     -0.49594759      0.12068266
+C      3.21767768      0.99495636     -0.08003985
+C      4.68772019      1.26972136     -0.20844479
+C      5.28515547      1.79991373     -1.28471126
+C      6.75378901      2.06302384     -1.42264117
+H      1.19420154     -1.83567869      0.42959852
+H      0.83206628     -0.43656472     -0.60262693
+H      0.98616722     -0.22673526      1.15398183
+H      3.28372414     -1.06383844     -0.73938836
+H      3.43498228     -0.86778441      1.00634375
+H      2.81186261      1.55745844      0.78138596
+H      2.69139421      1.37039635     -0.97403099
+H      5.30928767      0.99429674      0.65431880
+H      4.66094850      2.07132925     -2.14579246
+H      7.30441586      1.77193386     -0.51696387
+H      6.95213163      3.12970039     -1.61572414
+H      7.17932266      1.50800523     -2.27456440 
+
+18
+-1771.657633953587 11.68347 12.69234 -9.1903 -6.9914 -9.123 0.9658 0.0117 1.463 8.50259 -0.83081 6.3929165376 6.3929165376 0.417172638
+C      0.89674056      0.05153300     -0.03482205
+C      2.40774352     -0.16951542      0.04985458
+C      3.20541390      1.14275976     -0.07304119
+C      4.70539228      0.97053616      0.01105302
+C      5.37732017      0.27653958     -1.14553091
+C      5.40407319      1.42108281      1.06515865
+H      0.34733551     -0.89501610      0.07132516
+H      0.61214082      0.49653185     -1.00077948
+H      0.54787069      0.73066963      0.75824583
+H      2.71852646     -0.87185995     -0.74053361
+H      2.66320461     -0.64906414      1.00920735
+H      2.87532347      1.83499483      0.71856564
+H      2.94803363      1.61969741     -1.03715317
+H      4.98393556     -0.74147653     -1.29313308
+H      6.46235738      0.20227507     -0.99521423
+H      5.19587632      0.82293964     -2.08593022
+H      4.91310841      1.93538990      1.89414842
+H      6.48655351      1.29301252      1.13112930 
+
+16
+-1619.6470238962966 11.541909 13.39631 -9.3636 -7.0467 -9.19 0.908 0.0267 2.488 8.7887 -2.06159 4.1475672734 10.1267053332 0.848718988
+C      0.90943826     -0.00519649      0.02287561
+C      2.43788480     -0.00602801      0.02302802
+C      3.02523218      1.41956893      0.00021848
+C      4.48411197      1.45058216     -0.00026928
+C      5.70051624      1.44409234     -0.00015807
+C      7.15673633      1.44600760     -0.00023134
+H      0.51197714     -1.02983392      0.03919988
+H      0.50925230      0.49318718     -0.87346347
+H      0.50909985      0.52152589      0.90279309
+H      2.81801177     -0.55960490     -0.84984747
+H      2.81787092     -0.53136718      0.91324336
+H      2.64662954      1.98123481      0.87255392
+H      2.64663249      1.95302952     -0.88964306
+H      7.55412083      2.47217790     -0.01182626
+H      7.55670228      0.92419413     -0.88270794
+H      7.55677309      0.94423005      0.89375452 
+
+18
+-1768.8497056234594 11.805099 13.03899 -9.58 -7.3107 -9.493 1.0795 0.09 1.378 8.96237 -0.8158 6.673980401 6.673980401 0.463551531
+C      1.15162563     -0.69224907     -0.06099869
+C      2.67662689     -0.57322567     -0.07876181
+C      3.16320925      0.87288048     -0.20871009
+C      4.69643671      1.00007363     -0.21305538
+C      5.16628132      2.41818566     -0.35303161
+C      5.88946877      3.08478500      0.55425205
+H      0.82875400     -1.73917710      0.03204158
+H      0.71001151     -0.28754531     -0.98486854
+H      0.71954811     -0.13342256      0.78352669
+H      3.08641369     -1.17137188     -0.91145488
+H      3.09246290     -1.01332724      0.84444803
+H      2.75600722      1.47640844      0.62097046
+H      2.75653733      1.31481107     -1.13612979
+H      5.09574870      0.39872374     -1.05080947
+H      5.10887734      0.56394535      0.71251836
+H      4.86460166      2.93470626     -1.27306528
+H      6.20676453      2.60967525      1.48678046
+H      6.18929443      4.12225397      0.39877790 
+
+16
+-1613.2091345621955 11.259434 12.68972 -10.0408 -7.6054 -9.813 0.9523 0.0142 2.346 9.44102 -1.97283 4.3672332696 10.617417124 0.888258963
+C      0.96416754     -0.11847534      0.00713813
+C      2.49159293     -0.03579595      0.01093209
+C      3.01023663      1.40393026      0.00431593
+C      4.55001646      1.47844522      0.00940465
+C      5.06522901      2.84183140      0.00253976
+C      5.47051375      3.98648363     -0.00815459
+H      0.61853159     -1.16201467      0.01208395
+H      0.54171743      0.36932356     -0.88453724
+H      0.53677625      0.37937964      0.89086684
+H      2.89276012     -0.57168286     -0.86688691
+H      2.88779248     -0.56181688      0.89693945
+H      2.62335795      1.94688943      0.88214152
+H      2.62966552      1.93653698     -0.88255137
+H      4.94750764      0.93861988     -0.86764482
+H      4.94101265      0.94926826      0.89582714
+H      5.83457206      4.99334745     -0.01464454 
+
+13
+-1343.2854321904533 9.387967 9.79645 -8.8574 -6.7386 -8.581 1.5863 -0.1152 1.326 8.12255 -0.68307 5.5188152376 11.3779596466 0.262168928
+C     -1.30535144      0.08143490     -0.42056918
+C     -0.51709443     -0.67116198      0.69998115
+N     -0.47772653      0.63699456      1.50506783
+C     -0.34572719      1.20736746      0.08441170
+C      1.02053370      0.62008088     -0.29302345
+C      0.90454466     -0.65085557      0.12333216
+H     -1.20879771     -0.26816659     -1.46050966
+H     -2.35915289      0.26407056     -0.15667369
+H     -0.88298068     -1.57673215      1.19845132
+H     -1.45266338      0.82120532      1.79582088
+H     -0.53134020      2.27774983     -0.06464808
+H      1.85096110      1.14474758     -0.75807789
+H      1.61176498     -1.47576481      0.10045691 
+
+12
+-1254.0257974077472 8.742194 9.06171 -8.5708 -6.4999 -9.182 0.8222 -0.0994 0.904 8.6203 -0.32192 4.9656888944 12.2811356636 0.187618695
+C      0.39896016      1.43807951      0.50059277
+C      0.94364295      0.37707120     -0.41376644
+N      0.93409663     -0.95925243      0.14368624
+C     -0.39984970     -1.30155959      0.34428291
+N     -1.28394671     -0.40213682      0.05349347
+C     -0.56476815      0.74457882     -0.44228987
+H      0.65364326      2.46952244      0.25614980
+H      0.32356012      1.21056756      1.56588084
+H      1.67351195      0.59723089     -1.19254638
+H      1.59117826     -1.65716497     -0.19641256
+H     -0.64702482     -2.27803209      0.76567777
+H     -1.04984395      1.32350548     -1.23029855 
+
+12
+-1237.4595330492655 8.781757 9.05709 -8.3445 -6.2861 -8.935 1.3333 -0.1206 0.745 8.50405 -0.17167 5.0498381926 11.2859992304 0.124176374
+C      0.39950169      1.51469095      0.45187437
+C      0.92203759      0.36071773     -0.34805967
+N      0.92210418     -0.91392309      0.34530957
+N     -0.38049014     -1.35755677      0.57001596
+C     -1.20563050     -0.43894492      0.16142533
+C     -0.57000594      0.75117060     -0.44450153
+H      0.68173008      2.51224746      0.11631388
+H      0.30753528      1.38864435      1.53168215
+H      1.65321079      0.50810881     -1.14396787
+H      1.49664819     -1.65823079     -0.04705119
+H     -2.27806391     -0.59757750      0.26781902
+H     -1.03123730      1.26071318     -1.29259003 
+
+15
+-1488.5594396744789 9.827483 10.88809 -9.3992 -7.2575 -10.999 0.9993 0.0526 3.077 10.31238 -2.6828 8.8399042336 11.3270757922 0.382518462
+C     -0.16249815      0.71970275      0.14756400
+C     -0.56601368     -0.66230316     -0.30901515
+C      0.89133415     -0.34003665     -0.09920460
+C      1.68306707     -0.89214681      1.04586913
+C      1.10356342     -1.69755822      2.15579880
+N      1.89812477     -2.35960934      1.09784247
+H     -0.24143010      1.54884138     -0.55601952
+H     -0.36716530      0.98273210      1.18668859
+H     -0.90757189     -0.78851031     -1.33640403
+H     -1.06393024     -1.31322828      0.40970650
+H      1.47871113     -0.21879902     -1.01402583
+H      2.53817098     -0.26585579      1.32912043
+H      0.04317151     -1.95931923      2.15189171
+H      1.53752096     -1.57390222      3.15167817
+H      2.84068539     -2.55571718      1.44985934 
+
+15
+-1483.4030924749347 10.106431 11.09753 -9.0158 -6.9491 -10.463 1.0721 0.1821 3.581 9.77155 -3.29701 8.6778297344 11.1408984146 0.557069607
+C      0.31786866      0.72969886     -0.24722579
+C     -0.91681618     -0.12335433     -0.04075257
+C      0.45396397     -0.74354289      0.03774528
+N      0.93368201     -1.12022103      1.34697051
+C      1.05708576     -2.56536865      1.58330498
+C      2.27296091     -1.72312454      1.37969831
+H      0.54579907      1.08408361     -1.25260793
+H      0.59627693      1.40506400      0.56167591
+H     -1.54003309     -0.35743020     -0.90405309
+H     -1.44910117     -0.00753365      0.90335154
+H      0.75983073     -1.38900974     -0.80040569
+H      0.77570598     -3.23950310      0.76752642
+H      0.78106882     -2.90407660      2.58420162
+H      2.89736384     -1.43898540      2.22954228
+H      2.80282378     -1.83581633      0.42818820 
+
+15
+-1504.8976546145568 9.610208 10.27504 -9.0499 -6.9791 -10.348 0.9735 0.0494 3.178 9.59279 -3.01955 8.4296469582 12.7602299662 0.099208248
+C      0.90018271      0.00134438      1.00766134
+C      0.34288989      0.99723792     -0.04239534
+C     -1.18655066      0.79406009      0.07991053
+C     -1.19993330     -0.76896610      0.09128781
+C      0.32580464     -1.00004443     -0.02785201
+N      0.78027415     -0.01277737     -1.07204584
+H      1.99569321     -0.00791881      1.02279884
+H      0.47190354      0.01237433      2.01884082
+H      0.72256596      2.02229952     -0.14480154
+H     -1.60372068      1.23642404      0.99697546
+H     -1.72498339      1.22272855     -0.77811342
+H     -1.74570087     -1.20081568     -0.76048580
+H     -1.62450997     -1.19074803      1.01463040
+H      0.68787248     -2.03283869     -0.11525279
+H      0.17179230     -0.01363972     -1.90343848 
+
+15
+-1506.3194604286346 9.755885 10.46546 -8.2255 -6.0956 -9.59 0.9658 0.0264 3.262 9.01335 -2.95991 7.7738850042 11.0049229684 0.19580674
+C      0.81120795      1.34168151     -0.61358336
+C     -0.33590592      0.98741270      0.31669043
+C     -1.39320077     -0.00330730     -0.18267386
+C     -0.74959298     -1.38054909      0.06780955
+N      0.69397205     -1.12730290     -0.13711944
+C      0.96275816      0.21546393      0.38087352
+H      0.72512296      1.05031435     -1.66227445
+H      1.33958736      2.27786427     -0.42356471
+H     -0.60478696      1.69686203      1.09949243
+H     -2.34074743      0.10444083      0.36285984
+H     -1.60283558      0.14319781     -1.25400445
+H     -0.98273147     -1.71316292      1.10067993
+H     -1.10869118     -2.15296341     -0.62950873
+H      1.27295950     -1.82321569      0.33226850
+H      1.65322432      0.31777388      1.22176480 
+
+15
+-1504.2537657092798 9.591071 10.35175 -8.7808 -6.6634 -10.372 0.9984 0.0969 3.099 9.77308 -2.82259 8.4108878764 13.2845667602 0.118859393
+C      0.69884568      1.34016478     -0.55649655
+C     -0.45461534      0.99606795      0.31639688
+C     -1.48735523      0.00455566     -0.21787888
+C     -0.82764199     -1.36980930      0.03297990
+C      0.68357025     -1.07661436     -0.00781710
+N      0.86159781      0.31543902      0.49411454
+H      0.65084975      1.00409800     -1.59871980
+H      1.26759560      2.26003004     -0.39588107
+H     -0.74554279      1.67363083      1.12366128
+H     -2.44915418      0.10293544      0.30369912
+H     -1.67875007      0.16632555     -1.29031972
+H     -1.10323760     -1.73169756      1.03548222
+H     -1.13271660     -2.13782151     -0.69242808
+H      1.25394278     -1.75718458      0.64064283
+H      1.08665193     -1.17462996     -1.03029558 
+
+15
+-1513.4103550979685 9.53496 10.22709 -9.2305 -7.0635 -10.638 0.9354 0.0071 3.099 10.06376 -2.87096 8.5223884862 12.9453038684 0.140568332
+C      0.74621752      1.30419754      0.31940512
+C     -0.73063154      1.19283234     -0.12801058
+C     -1.01985290     -0.29947488     -0.14188437
+N     -0.61059520     -1.10909112      1.02652834
+C      0.28084691     -1.03360639     -0.15157555
+C      1.40906371     -0.01479531     -0.14379855
+H      1.24367091      2.19114483     -0.09603060
+H      0.80910210      1.40132350      1.41387535
+H     -0.86081553      1.58587971     -1.15065124
+H     -1.41262886      1.75959275      0.52576952
+H     -1.90445578     -0.66895832     -0.66642312
+H     -0.26225987     -0.50188014      1.77740822
+H      0.41570923     -1.97845064     -0.68367791
+H      2.25352540     -0.30970545      0.49879523
+H      1.80157391      0.08328157     -1.16994987 
+
+13
+-1363.8813131225468 9.39344 9.76685 -8.5862 -6.4691 -8.804 1.5463 -0.0519 1.311 8.41645 -0.7058 5.8274411888 5.8274411888 0.242043598
+C      0.31060117      1.41803180      0.36817591
+C     -0.75278306      0.79710457     -0.48105537
+C     -1.37297854     -0.42815339      0.09350385
+C     -0.44486058     -1.38382257      0.25328772
+C      0.89272589     -0.91054152     -0.26590152
+N      0.69448750      0.49491257     -0.71325681
+H      0.61683828      2.45316591      0.19760270
+H      0.36790417      1.06867659      1.40434957
+H     -1.27384575      1.38484775     -1.24182246
+H     -2.42777640     -0.50318499      0.35715442
+H     -0.60506077     -2.36201624      0.70782800
+H      1.69161226     -0.95589474      0.49361042
+H      1.23451584     -1.51342574     -1.12563645 
+
+13
+-1369.6144731526886 9.366756 9.69154 -8.866 -6.7379 -9.013 1.4106 -0.2076 1.197 8.57863 -0.59669 5.9186080946 11.6413679036 0.305663561
+C      0.99890999     -0.97299273     -0.01520066
+C     -0.44395228     -1.37747344     -0.23039396
+C     -1.28441810     -0.35021972     -0.00631113
+C     -0.53636854      0.90273653      0.30378181
+N      0.35612270      1.41533441     -0.77543600
+C      0.91924399      0.52801013      0.25683934
+H      1.43809915     -1.50500531      0.84634663
+H      1.63877603     -1.20967605     -0.88297924
+H     -0.73861815     -2.37339358     -0.56429033
+H     -2.37187450     -0.39401426     -0.07866908
+H     -0.94830658      1.66612391      0.96674956
+H      0.16686502      0.87396908     -1.62872931
+H      1.66330127      0.99758103      0.90321235 
+
+15
+-1516.3095640495692 10.252288 10.60874 -8.646 -6.4737 -8.97 0.9487 -0.0406 1.477 8.48929 -0.85343 6.2331605766 6.2331605766 0.347916242
+C      0.40976292      1.32106794      0.30061572
+C     -1.05299294      1.07363873     -0.07851574
+C     -1.37910105     -0.39342147     -0.00047261
+C     -0.42598605     -1.33322511      0.06913005
+C      1.04032220     -1.00637859      0.02118774
+N      1.25955099      0.37197684     -0.42602134
+H      0.71157387      2.34258976      0.02559780
+H      0.51131720      1.22824655      1.40540134
+H     -1.24716607      1.44887082     -1.09878282
+H     -1.71433080      1.64415065      0.59529859
+H     -2.43316179     -0.68482259      0.01051848
+H     -0.69219353     -2.38925338      0.16218369
+H      1.47996840     -1.21669656      1.02514286
+H      1.54470905     -1.68812467     -0.68483672
+H      2.24283761      0.61846107     -0.30423704 
+
+11
+-1275.5710556970816 9.508778 9.13844 -9.5411 -7.5131 -9.196 0.6177 -0.9692 0.146 9.58546 0.4188 4.3981925738 6.5947037526 0.62043558
+C     -1.41207516     -0.07690597     -0.01823045
+C     -0.76132286      1.15846420      0.00483848
+C      0.63635319      1.17596651      0.04385109
+N      1.39903209      0.06953631      0.06063718
+C      0.75564834     -1.11016063      0.03799726
+C     -0.63628037     -1.23795411     -0.00125216
+H     -2.50155279     -0.13376800     -0.04887857
+H     -1.32262466      2.09406567     -0.00705096
+H      1.17461129      2.12896947      0.06269030
+H      1.39015663     -2.00209432      0.05197458
+H     -1.09716569     -2.22682912     -0.01814674 
+
+17
+-1658.755963715732 10.311112 11.04131 -8.3641 -6.2769 -9.834 0.9599 0.0236 3.149 9.14561 -2.93487 7.9980516922 11.024091204 0.128069068
+C      0.74139386      1.28332241     -0.21745091
+C     -0.72585751      1.26133014      0.23217878
+C     -1.41386195     -0.03508653     -0.22310332
+N     -0.71534023     -1.26557611      0.17352418
+C      0.69857985     -1.24277156     -0.22615483
+C      1.46775508      0.00721970      0.22905185
+H      0.77948381      1.35267811     -1.31994022
+H      1.25349740      2.17811900      0.16987473
+H     -1.26714984      2.13639614     -0.16462910
+H     -0.77520471      1.32928822      1.33413293
+H     -2.44572847     -0.08505214      0.15796843
+H     -1.48471303     -0.03949302     -1.32655352
+H     -0.76971161     -1.36319706      1.19216733
+H      1.17975688     -2.15783188      0.15277723
+H      0.72832022     -1.30468294     -1.32974435
+H      1.55357704     -0.00219247      1.33082602
+H      2.49564319     -0.01486001     -0.16986524 
+
+12
+-1263.489196119177 9.286148 9.21586 -7.8942 -5.7858 -8.116 1.4877 -0.2502 0.777 7.68652 -0.23962 4.2786080768 12.1054722988 0.455751357
+C      1.42361464     -0.21006725      0.06117856
+C      0.41907184     -1.33902348     -0.00174086
+C     -0.89798946     -1.08911553     -0.03678442
+N     -1.36431749      0.23155880     -0.01655334
+C     -0.43745941      1.26415681      0.03026576
+N      0.83620068      1.14425998      0.06633453
+H      2.06131423     -0.30455776      0.96112753
+H      2.12918551     -0.26811074     -0.78970759
+H      0.77075351     -2.37129286     -0.01840794
+H     -1.66120821     -1.86477753     -0.08218304
+H     -2.35491191      0.43641699     -0.04750803
+H     -0.88158393      2.26725257      0.03501884 
+
+10
+-1126.5709703825587 8.772308 8.35605 -9.0561 -7.0386 -10.047 0.0098 -1.671 -0.507 10.11342 0.98266 3.6263177308 6.4345262392 0.74283555
+C     -0.65139550     -1.25460341     -0.02323413
+C     -1.41029803     -0.09289103     -0.02627131
+C     -0.71346205      1.11686208      0.06012029
+N      0.62374134      1.20799508      0.14394202
+N      1.35670830      0.08601326      0.14671358
+C      0.73619610     -1.10219714      0.06571422
+H     -1.10410844     -2.24516168     -0.08704381
+H     -2.49912632     -0.10972846     -0.09255153
+H     -1.23838303      2.07554501      0.06375713
+H      1.40320764     -1.96803371      0.07384355 
+
+12
+-1241.2586559474562 9.013537 8.99148 -9.2025 -7.1834 -9.588 0.39 -1.376 0.196 9.2754 0.39006 4.366724927 8.8057088948 0.310103488
+C      0.29879111     -1.40385176      0.25188393
+C     -1.07922789     -0.95107498     -0.24565500
+C     -1.24060676      0.48080329      0.18964510
+N     -0.25707844      1.31200915      0.26594907
+N      0.98402232      0.90018718     -0.27817134
+C      1.27970718     -0.35258084     -0.19371074
+H      0.58347000     -2.38424746     -0.15218966
+H      0.30084957     -1.49108403      1.35377781
+H     -1.89049017     -1.56634308      0.16505537
+H     -1.13549752     -1.02814644     -1.34681348
+H     -2.20937555      0.85142190      0.54309508
+H      2.27795615     -0.63402293     -0.54693615 
+
+15
+-1495.3302863552642 9.593433 10.28167 -8.7733 -6.7166 -10.501 0.9667 0.0671 3.103 9.82927 -2.82495 8.6231271112 11.1727008236 0.106195887
+C      0.88839845     -0.01225684      0.93427847
+C      0.31067581     -1.07505680     -0.03209809
+C      0.71675678     -0.03649987     -1.10626488
+N      0.37473454      1.02325221     -0.06249833
+C     -1.09871127      0.77250983      0.06411312
+C     -1.19634052     -0.79314484      0.09182937
+H      1.98600504      0.01660906      0.96277821
+H      0.47199664      0.07261134      1.94987089
+H      0.63960869     -2.12404267     -0.04729570
+H      0.13643264      0.02529292     -2.03976345
+H      1.79413006     -0.01063376     -1.31836086
+H     -1.46936057      1.24594414      0.98366608
+H     -1.61786357      1.22347630     -0.79275990
+H     -1.77333128     -1.20418824     -0.74920003
+H     -1.62240143     -1.18187278      1.02811509 
+
+10
+-1144.7761701262648 8.803657 8.36995 -9.5489 -7.433 -9.297 -0.0507 -1.7207 -0.519 8.87444 0.86495 3.6331369608 8.6343478442 0.641296694
+C     -0.75140935      1.09844152      0.03075569
+C      0.64517623      1.16893598      0.03326937
+N      1.41828729      0.07123849      0.03575543
+C      0.75973524     -1.09878353      0.03566815
+C     -0.63685591     -1.16927955      0.03316203
+N     -1.40996263     -0.07158467      0.03067263
+H     -1.35811175      2.00910347      0.02872524
+H      1.15705952      2.13607994      0.03329056
+H      1.36643000     -2.00945278      0.03767055
+H     -1.14872864     -2.13642888      0.03314036 
+
+16
+-1526.4102328794984 10.001807 10.46736 -8.3675 -6.2372 -9.702 0.9081 -0.0454 3.382 9.14536 -3.23274 7.9529083896 11.7496944718 0.20866413
+C      0.70295373      1.21161624     -0.21699920
+C     -0.75429345      1.20786830      0.25777746
+N     -1.41722562      0.00211639     -0.24991097
+C     -0.75525864     -1.21047708      0.24250622
+C      0.70197652     -1.20937459     -0.23228506
+N      1.44494427     -0.00158778      0.15664434
+H      0.71642119      1.28652549     -1.31775417
+H      1.23414571      2.08833065      0.18394332
+H     -1.28234791      2.09477443     -0.12732804
+H     -0.76474151      1.26436682      1.37173967
+H     -2.40108373      0.00079557      0.02231471
+H     -0.76577033     -1.28105251      1.35566243
+H     -1.28400637     -2.09202416     -0.15379181
+H      1.23247589     -2.09151639      0.15751668
+H      0.71538476     -1.27036736     -1.33390064
+H      1.57234549     -0.00806403      1.17429506 
+
+10
+-1149.1937947775982 8.661761 8.36762 -9.6073 -7.544 -9.804 0.2197 -1.4411 -0.148 9.73136 0.76001 4.2138129932 6.7611673562 0.495007262
+C     -0.74872583      1.15676506      0.00841916
+C      0.64611968      1.18969522      0.02544117
+N      1.39231983      0.07267511      0.05390512
+C      0.70544239     -1.08092998      0.06482663
+N     -0.62764468     -1.24015321      0.05094285
+C     -1.34527621     -0.10457545      0.02253730
+H     -1.34293516      2.07101380     -0.01459718
+H      1.19024585      2.13933485      0.01605176
+H      1.30183332     -1.99851743      0.08813769
+H     -2.43402920     -0.21612798      0.01079550 
+
+14
+-1403.114105198994 9.480975 9.77533 -8.371 -6.3326 -9.191 0.7825 -0.1804 1.057 8.49816 -0.46663 4.8442942018 8.272097948 0.170578235
+C      0.39449257      1.35856482      0.31469950
+C      1.41546471      0.35947944     -0.23416243
+N      0.97003448     -0.98186517      0.12611190
+C     -0.38020711     -1.26577556      0.18045241
+N     -1.36398034     -0.44164579      0.08764785
+C     -1.01993771      0.96652519     -0.13485469
+H      0.64527391      2.37639292     -0.01940620
+H      0.44404969      1.34861168      1.41509788
+H      2.41186426      0.53622747      0.19848130
+H      1.50272279      0.47113236     -1.33144732
+H      1.60986052     -1.75958043      0.00684049
+H     -0.59858492     -2.32785812      0.35415876
+H     -1.15297953      1.19033004     -1.20926196
+H     -1.76374331      1.58397115      0.39423250 
+
+12
+-1229.4251843422082 8.721548 8.97693 -9.1158 -6.9888 -9.939 1.3581 -0.4377 0.693 9.57415 -0.08828 4.9985203872 12.8097747718 0.21632036
+C      0.44697394      1.41542589      0.30073182
+C      1.14742784      0.33408033     -0.44392731
+C      1.04869205     -1.09004394      0.06414942
+C     -0.45401616     -1.24995281      0.10774915
+N     -1.13891798     -0.25751537     -0.33504158
+N     -0.24859380      0.76410373     -0.84085937
+H      0.72771249      2.45555095      0.12604301
+H      0.05196807      1.19148794      1.29455001
+H      1.92756293      0.59695680     -1.15867194
+H      1.50424942     -1.26218008      1.05261031
+H      1.51257046     -1.80588167     -0.63457162
+H     -0.97293927     -2.12732177      0.50291810 
+
+14
+-1385.2284899373144 9.598818 9.77284 -8.1608 -6.1799 -8.946 0.9656 -0.1073 0.843 8.4399 -0.24665 4.748353835 11.292892852 0.197647827
+C      0.42080713      1.42916371      0.28329968
+C      1.36835577      0.33498096     -0.20857617
+N      0.96031658     -0.93357117      0.39711269
+N     -0.34571571     -1.34162739      0.22581991
+C     -1.24308152     -0.43815792      0.00475914
+C     -1.01912008      1.05083115     -0.09356876
+H      0.70030730      2.40270244     -0.14432473
+H      0.51542553      1.50803978      1.37689646
+H      2.40816578      0.53679158      0.08668468
+H      1.32730330      0.28181489     -1.31621731
+H      1.57815171     -1.71655392      0.19452031
+H     -2.26548634     -0.81864128     -0.08328481
+H     -1.26046846      1.38666041     -1.11791762
+H     -1.74017100      1.56729675      0.56207654 
+
+14
+-1358.393853245561 9.48346 10.49562 -9.3116 -7.1211 -10.812 1.0936 0.0972 2.985 10.58477 -2.63156 8.6204118178 13.4261463736 0.348361112
+C      0.34343483      0.86350729     -0.31321885
+N     -0.78736904      0.13393608      0.30294881
+C      0.50749892     -0.55519918      0.10730071
+C      1.24094169     -0.92587220      1.35640388
+C      1.40038232     -2.34462828      1.77806127
+N      2.53444013     -1.61895490      1.16276270
+H      0.31920763      1.07912066     -1.38451471
+H      0.75909291      1.66121300      0.30803654
+H     -1.45012638     -0.15853548     -0.42109220
+H      0.58905134     -1.29606577     -0.69525295
+H      1.16075018     -0.18449153      2.15861650
+H      0.98337469     -3.14161884      1.15681828
+H      1.42250027     -2.55963129      2.84926362
+H      3.19623051     -1.32769957      1.88847640 
+
+15
+-1502.4476121229181 9.626855 10.30601 -8.6151 -6.4624 -10.115 0.9573 0.0426 3.08 9.42968 -2.85384 8.259079418 13.543486724 0.11614523
+C      0.92473145     -0.01070961      0.98394386
+C      0.32702667     -1.03802121     -0.02589962
+C      0.73715578     -0.01887448     -1.13561866
+C      0.31761412      0.99492456     -0.04098544
+N     -1.15133056      0.76593957      0.01841844
+C     -1.17668669     -0.73978907      0.09024144
+H      2.02322160     -0.01910433      0.98762905
+H      0.53122457      0.00081435      2.01262980
+H      0.63326754     -2.09120722     -0.04954306
+H      0.16511667     -0.00820121     -2.07387887
+H      1.81775832     -0.01689562     -1.32476101
+H      0.58737070      2.05747029     -0.07787698
+H     -1.51245620      1.15024084      0.89594748
+H     -1.75762682     -1.15947811     -0.74598035
+H     -1.60643715     -1.10889874      1.03485392 
+
+15
+-1506.9004209739885 9.641576 10.38575 -8.8044 -6.6758 -10.044 0.9489 -0.0062 3.279 9.37355 -3.11445 8.1925485304 11.2366528024 0.212378766
+C      0.79102153      1.38419090     -0.58544166
+C     -0.32478344      0.96055001      0.34032908
+C     -1.36287674     -0.02738634     -0.21797751
+N     -0.78069091     -1.38802489     -0.12883796
+C      0.68617406     -1.18740367     -0.20773395
+C      0.99483236      0.21343218      0.34696621
+H      0.67238175      1.16521960     -1.65091718
+H      1.31737310      2.31574173     -0.37073382
+H     -0.60294497      1.61605374      1.16697623
+H     -2.31366335      0.01313240      0.33143119
+H     -1.58408804      0.19965517     -1.27543787
+H     -0.98529669     -1.74118737      0.81032838
+H      1.20610112     -1.97954786      0.34875503
+H      1.00253267     -1.26458014     -1.26258636
+H      1.69386755      0.31575457      1.17840020 
+
+14
+-1381.880820589399 9.176077 9.6976 -8.9156 -6.7489 -10.066 0.8976 -0.0386 3.161 9.4287 -2.95977 8.1972847956 11.8575622918 0.223343092
+C      0.61591898      1.31293593     -0.02816380
+N     -0.74394411      1.31869592     -0.61340703
+C     -1.43830407      0.13959788     -0.04834889
+C     -0.35065230     -0.88307985      0.25349986
+N      0.60184614     -1.03254341     -0.87976874
+C      0.93987478     -0.14591895      0.26628674
+H      1.32165569      1.79233072     -0.72225588
+H      0.62630889      1.88220586      0.91818379
+H     -0.62812210      1.13311567     -1.61205429
+H     -1.94769426      0.41180110      0.89292762
+H     -2.19939842     -0.21868625     -0.75667711
+H     -0.53800237     -1.72778621      0.92007870
+H      1.10638190     -1.91783119     -0.76898810
+H      1.75272125     -0.41926722      0.94270712 
+
+12
+-1244.7239458692134 8.586168 8.98602 -9.3032 -7.2036 -9.985 1.3761 -0.3262 0.843 9.52527 -0.25173 4.8770017086 12.1828767586 0.161975414
+C      0.44781606      1.44871378      0.28696272
+C      1.05011382      0.31571237     -0.45963516
+C      0.97502161     -1.07989270      0.15549609
+N     -0.46587849     -1.33863435      0.37016284
+C     -1.09572191     -0.33765358     -0.12069176
+N     -0.36198715      0.72667036     -0.74564137
+H      0.70527834      2.47476076      0.01868568
+H      0.17113464      1.28539670      1.33225407
+H      1.76712152      0.52290600     -1.25583986
+H      1.51450987     -1.18223423      1.11031078
+H      1.37894079     -1.84206129     -0.52960732
+H     -2.18614910     -0.25926384     -0.10977672 
+
+12
+-1244.0112289607416 9.556204 9.24133 -7.9792 -5.9661 -8.339 0.5046 -1.1788 -0.068 7.95912 0.55833 3.8811833524 6.2652977478 0.41633511
+C      0.27918909     -1.40057408      0.15006934
+N     -0.95460458     -0.81396324     -0.38065875
+N     -1.30781237      0.45072136     -0.02276923
+C     -0.31751281      1.27577054      0.20338250
+C      1.06663957      0.90068577     -0.02349040
+C      1.37915415     -0.40673810     -0.13722998
+H      0.44635369     -2.36048674     -0.35848411
+H      0.20384534     -1.60521117      1.24369313
+H     -1.76676561     -1.42495774     -0.39739127
+H     -0.60141559      2.30282776      0.43733317
+H      1.81177550      1.68451148     -0.17301082
+H      2.38346363     -0.75412585     -0.38147358 
+
+17
+-1641.2617695390106 10.682097 11.91622 -9.2266 -6.9041 -10.571 0.9646 0.0275 3.235 9.96274 -2.95922 8.6752880214 11.3526293068 0.1794479
+C      1.02438439     -0.06523162      0.00526058
+C      2.53493568     -0.02620308     -0.05288984
+C      3.27404412     -0.60906761     -1.23716095
+C      3.24690917      0.89189351     -1.01580338
+C      4.51011124      1.61137021     -0.60497226
+N      5.30375552      1.97819552     -1.78943772
+H      0.62686901      0.72709074      0.65825221
+H      0.66373404     -1.03137351      0.39107069
+H      0.58755992      0.07728906     -0.99464383
+H      3.03199277     -0.15935299      0.91348405
+H      2.67951328     -1.02002445     -2.05512279
+H      4.21191882     -1.13625193     -1.04788856
+H      2.61093556      1.46232812     -1.69941113
+H      5.05284107      0.97614204      0.12760941
+H      4.24720468      2.54508941     -0.07886922
+H      5.59345805      1.12671837     -2.27895634
+H      6.16257269      2.45403824     -1.50332094 
+
+17
+-1641.7977946483702 10.668095 11.62386 -8.5809 -6.4238 -9.844 0.8902 -0.0504 3.143 9.42747 -2.83261 7.8636632668 11.104558118 0.139974368
+C      1.01536875      0.06691055     -0.12791763
+C      2.52627578      0.07133926     -0.04540141
+C      3.37705908     -0.62501360     -1.09953710
+C      3.44294178      0.87449137     -0.96661694
+C      2.86547497      1.74705285     -2.06143061
+N      4.69251821      1.42808162     -0.45588553
+H      0.57709047      0.92371301      0.40758875
+H      0.60210946     -0.85124776      0.31863959
+H      0.66149487      0.10820249     -1.16761050
+H      2.91406538     -0.01615663      0.97522568
+H      2.86155021     -1.03331559     -1.97175162
+H      4.23978473     -1.21166947     -0.77620558
+H      1.94737569      1.32397320     -2.48752553
+H      3.60259125      1.86503584     -2.86860164
+H      2.62281282      2.75123992     -1.67623182
+H      5.12478291      0.77482787      0.20198347
+H      4.49612365      2.28207509      0.07672843 
+
+13
+-1379.98492135024 9.572087 10.68778 -10.444 -8.269 -10.971 0.8264 -0.1742 1.417 10.56539 -1.03564 5.2781088172 10.7254957202 0.471792694
+C      1.01305844      0.00322938     -0.05861252
+C      2.52128897     -0.04918554     -0.01228918
+C      3.30992731     -0.72230164     -1.09670574
+C      3.32630352      0.80029502     -0.99428788
+C      4.51512641      1.46939076     -0.55108012
+N      5.48306087      2.00965208     -0.18020277
+H      0.62676028      0.86568166      0.50323801
+H      0.57999514     -0.90816240      0.37907684
+H      0.64894098      0.08182887     -1.09354831
+H      2.95898557     -0.10781259      0.98691787
+H      2.76848178     -1.13708212     -1.94795151
+H      4.22754605     -1.24488035     -0.82946355
+H      2.75483470      1.35012687     -1.74508115 
+
+17
+-1645.295388084594 10.615086 11.56401 -8.8587 -6.6917 -10.195 0.9424 0.0177 2.997 9.62406 -2.73342 8.288650079 10.4607360158 0.09392743
+C      0.93435153      0.00688429     -0.00539363
+C      2.45201666      0.04634023      0.05056309
+C      3.17310882      1.07327304      0.96697321
+C      4.25048252     -0.00387679      1.26347938
+C      3.23195619     -1.07911775      0.81377810
+N      3.75537499     -2.27489232      0.17274671
+H      0.57640723     -0.85966662     -0.58398645
+H      0.51976458      0.91092827     -0.47752249
+H      0.50700688     -0.06564184      1.00740271
+H      2.87178051      0.11992483     -0.96942446
+H      2.57014104      1.29685041      1.86083222
+H      3.50133674      2.02031405      0.51816778
+H      5.08434545      0.05897420      0.54635769
+H      4.66357768     -0.07713519      2.27843452
+H      2.62964466     -1.39963792      1.68210350
+H      4.21914911     -2.02899446     -0.70635936
+H      3.00002541     -2.92331642     -0.06202252 
+
+17
+-1641.4924284628373 10.651204 11.55828 -8.5573 -6.3949 -9.792 0.8701 -0.0746 2.981 9.37976 -2.63913 7.8945109836 11.380798926 0.244166686
+C      0.86944353      0.03441800     -0.25753156
+C      2.35464554      0.03204054      0.04916692
+C      2.68956226      0.02426011      1.52639967
+C      3.26537677     -0.73192261     -0.90089383
+C      3.27119773      0.77429809     -0.92779842
+N      4.47566194      1.49888836     -0.58306531
+H      0.68339396      0.09988339     -1.33977223
+H      0.36695509      0.89019687      0.22209103
+H      0.38377273     -0.88543280      0.10796862
+H      3.77281320      0.06933333      1.70828839
+H      2.31111733     -0.89016376      2.01039778
+H      2.23008309      0.88540240      2.03909286
+H      2.82399473     -1.27339304     -1.73965954
+H      4.14180537     -1.22059863     -0.46684189
+H      2.75053448      1.23094334     -1.77655583
+H      5.08593660      0.93711489      0.01264572
+H      4.25015566      2.35078151     -0.06219236 
+
+17
+-1640.586612472809 10.629465 11.78963 -8.5812 -6.3957 -9.895 0.9388 0.0312 3.26 9.45713 -2.92352 8.0673722648 11.340131518 0.2127575
+C      0.96885180      0.01052453     -0.04437954
+C      2.48066069     -0.00818521      0.01317466
+C      3.33827727     -0.73369754     -1.02354262
+C      2.75885049     -1.51424416     -2.18338060
+C      3.32736363      0.76992289     -0.98501816
+N      4.53491090      1.50388944     -0.65869906
+H      0.56587559      0.84558778      0.54944540
+H      0.53220838     -0.91996171      0.35196843
+H      0.59943474      0.13582666     -1.07218838
+H      2.89360181     -0.04031731      1.02688884
+H      4.24508599     -1.18359487     -0.60359392
+H      1.86155990     -1.03320781     -2.59604768
+H      2.47835964     -2.53492140     -1.88000428
+H      3.49131841     -1.59687060     -3.00056274
+H      2.75934543      1.24671345     -1.79222083
+H      5.14694097      0.93171379     -0.07211525
+H      4.30505436      2.33792206     -0.11063429 
+
+17
+-1657.2688731467163 10.483269 11.33694 -8.6051 -6.5032 -10.066 0.9624 0.0036 3.244 9.32843 -2.97774 8.224487324 12.210637224 0.22260856
+C      1.00163643     -0.03397005      0.00199756
+C      2.52216916     -0.05214324      0.09041040
+C      3.14804924      1.19523591      0.75108100
+C      4.44291581      0.67810671      1.43514400
+C      4.44214983     -0.83921633      1.15304475
+N      3.01712955     -1.13367558      0.95916277
+H      0.61585142     -0.95634022     -0.45818360
+H      0.65623593      0.81138220     -0.61088714
+H      0.56484906      0.05669455      1.00743176
+H      2.93975252     -0.14227106     -0.93962555
+H      2.45135092      1.60385799      1.49829799
+H      3.34243659      1.98452682      0.01166240
+H      5.34978592      1.15785386      1.04196407
+H      4.41118708      0.86892686      2.51666927
+H      5.05075556     -1.04960458      0.24654951
+H      4.85603481     -1.43195654      1.98215879
+H      2.87330017     -2.05239729      0.53338205 
+
+17
+-1640.673524936 10.464139 11.31508 -8.6405 -6.5245 -10.114 0.9241 -0.0149 3.028 9.40563 -2.70889 8.157348905 10.1545277916 0.12288357
+C      0.92042487     -0.03343678      0.14633465
+C      2.43516707      0.02238938     -0.01552368
+C      2.83748586      0.03305353     -1.49333564
+C      3.19303193      1.10233828      0.81737265
+C      4.15766808     -0.02769886      1.24195708
+N      3.15144009     -1.02873099      0.79050504
+H      0.65264045     -0.06955076      1.21093279
+H      0.50963111     -0.93313610     -0.33810624
+H      0.44154908      0.84611101     -0.31149356
+H      3.92997969      0.09444614     -1.61128798
+H      2.39215775      0.89139163     -2.02030630
+H      2.48759329     -0.88350859     -1.99475218
+H      2.58988095      1.48258857      1.65270292
+H      3.61828815      1.94589752      0.25860283
+H      5.09578433     -0.02073119      0.65814958
+H      4.41153184     -0.09939318      2.31085036
+H      3.53632547     -1.79183962      0.22635767 
+
+17
+-1641.190753603979 10.564896 11.5693 -8.5718 -6.5035 -10.096 0.9414 0.0106 3.203 9.38133 -2.97964 8.2521733978 10.2977936146 0.106987718
+C      0.92936609     -0.04569609      0.10945760
+C      2.44145670      0.03964572      0.00039552
+C      3.19465002      1.10704407      0.83812905
+C      4.19737923     -0.01758792      1.21132914
+C      5.50861664      0.01123830      0.43290661
+N      3.19090374     -1.01967957      0.74300378
+H      0.54743561     -0.94334369     -0.39998634
+H      0.45347307      0.83280852     -0.35326932
+H      0.62607506     -0.09945160      1.16511284
+H      2.73173112      0.10567359     -1.06659618
+H      2.60170104      1.45280003      1.69618434
+H      3.60263350      1.97313742      0.30080860
+H      4.41255162     -0.11805899      2.28923576
+H      5.33328736      0.15679999     -0.64449955
+H      6.06341273     -0.93048388      0.56647152
+H      6.15590550      0.82971990      0.78500844
+H      3.58084096     -1.76268582      0.15580817 
+
+13
+-1405.7010727630575 10.166312 10.37391 -7.7587 -5.8284 -7.764 0.8204 -0.0788 1.131 7.2874 -0.53403 4.6942463446 6.317396665 0.43054969
+C      0.95489302     -0.02558562     -0.00835448
+C      2.44569574      0.05921051     -0.00016414
+C      3.30007529      1.15184203      0.00424244
+C      4.64109103      0.66667759      0.01040739
+C      4.58026933     -0.71417327      0.00962013
+N      3.24533752     -1.06880496      0.00319162
+H      0.52706414      0.98468337     -0.00059882
+H      0.56279539     -0.55691940      0.87405429
+H      0.57135125     -0.53973631     -0.90464541
+H      2.98411070      2.19154348      0.00311767
+H      5.55009837      1.26080830      0.01506197
+H      5.36135368     -1.46696731      0.01345690
+H      2.89812454     -2.02123840      0.00145044 
+
+17
+-1636.0207234948648 10.760029 11.59838 -8.3195 -6.2957 -9.762 1.0153 0.1239 3.26 8.99187 -2.98939 7.9159233658 10.5029904446 0.104620075
+C      0.97131545     -0.06193459      0.06248082
+C      2.48518133      0.03809742      0.06343881
+C      3.19562906      1.11786061      0.91898376
+C      4.21846581      0.00965466      1.25717770
+N      3.21196848     -0.99814678      0.84859518
+C      3.67985992     -2.17932748      0.14993147
+H      0.63450456     -0.97431561     -0.45281679
+H      0.52443369      0.79822845     -0.45863448
+H      0.58922175     -0.08942824      1.09310547
+H      2.86692330      0.08047391     -0.98204793
+H      2.59281621      1.41115124      1.78940847
+H      3.56603154      2.01046419      0.40176896
+H      5.09263609      0.04158464      0.57260489
+H      4.57646090     -0.08362726      2.29426761
+H      2.82124957     -2.77526115     -0.19385565
+H      4.26843131     -2.80882467      0.83406391
+H      4.31402104     -1.93764935     -0.73339219 
+
+17
+-1634.4862022001237 10.762186 11.84938 -8.7187 -6.7258 -10.306 0.9941 0.1013 3.209 9.63849 -2.92067 8.3274700956 11.312420647 0.331837806
+C      0.98274748      0.05158157     -0.04487445
+C      2.49005183     -0.02579440     -0.02176489
+C      3.32165224     -0.78032606     -1.01950171
+C      2.76475381     -1.56523040     -2.18240586
+N      3.24098413      0.68622025     -1.06509723
+C      4.42780583      1.41215021     -0.62463536
+H      0.63773879      0.98876910      0.41704734
+H      0.53883307     -0.78420359      0.51699451
+H      0.59559143      0.02526963     -1.07107360
+H      2.93013763      0.01730271      0.98537924
+H      4.25665121     -1.18636164     -0.60614439
+H      1.83899422     -1.11640815     -2.56346006
+H      2.55305672     -2.60424016     -1.88779628
+H      3.48789219     -1.59115968     -3.01138434
+H      4.13540977      2.41612419     -0.28266283
+H      5.11981625      1.52822981     -1.47191952
+H      4.97005340      0.90697663      0.20157943 
+
+17
+-1654.95510205975 10.360974 11.24623 -8.39 -6.1959 -9.87 0.9369 -0.0108 3.14 9.15636 -2.84782 8.009061649 11.351042286 0.129510087
+C      0.96895669      0.00056284     -0.02089162
+C      2.49380106      0.01806413      0.04119457
+C      3.09840141      1.14259512      0.90040983
+C      4.51438133      0.63337319      1.16440259
+N      4.30289359     -0.80181981      1.42983605
+C      3.11660953     -1.25438718      0.66361764
+H      0.59950437     -0.83903931     -0.62880787
+H      0.57502955      0.92806932     -0.46235643
+H      0.54061145     -0.10254376      0.98871853
+H      2.88968094      0.13221813     -0.98396243
+H      2.54581936      1.22832192      1.85114730
+H      3.07964709      2.12192070      0.40182419
+H      5.15059060      0.83008713      0.27573586
+H      4.98999416      1.12118100      2.02999877
+H      5.13020694     -1.35342119      1.20828655
+H      3.37086255     -1.99367599     -0.11571685
+H      2.39303937     -1.73868624      1.34553332 
+
+15
+-1512.6461844771889 10.395731 10.90107 -8.7093 -6.5234 -9.106 1.2078 -0.0883 1.45 8.51598 -0.80763 6.3348414952 6.3348414952 0.394028275
+C      1.03306994     -0.01806589      0.30489414
+C      2.33277646      0.02490142     -0.00616776
+C      3.20674779      1.26327691     -0.09652755
+C      4.45486852      0.75691060     -0.83307587
+N      4.57161408     -0.61811366     -0.32220519
+C      3.20526475     -1.16835200     -0.35997467
+H      0.48931782     -0.96343906      0.35880171
+H      0.46786340      0.89093770      0.51848703
+H      3.48367967      1.59381768      0.91787104
+H      2.70872098      2.10061990     -0.60410637
+H      4.28313217      0.80542448     -1.93043627
+H      5.36103180      1.33494527     -0.60142808
+H      5.22005295     -1.17765738     -0.87816729
+H      2.91106084     -1.54082926     -1.36584369
+H      3.09422882     -2.00109671      0.35127882 
+
+15
+-1515.9685215493637 10.295431 10.84276 -8.6388 -6.3955 -8.632 0.8932 -0.0266 1.488 8.14505 -0.83081 5.857470598 5.857470598 0.276302529
+C      0.97391362      0.02647547      0.03030075
+C      2.46480048     -0.03279253     -0.04660760
+C      3.25854859     -1.11222902     -0.11330056
+C      4.71356519     -0.71743938     -0.08589463
+N      4.71667372      0.76425194     -0.20318849
+C      3.32434125      1.21431419      0.02993051
+H      0.52375524     -0.97470230      0.00690147
+H      0.55340976      0.61262565     -0.80324451
+H      0.64855604      0.52568867      0.95819685
+H      2.91738910     -2.14889980     -0.11819692
+H      5.18565250     -1.03371267      0.86547798
+H      5.30854449     -1.17461940     -0.89390272
+H      4.96967265      1.00263040     -1.16207768
+H      3.02915692      1.98545677     -0.70187018
+H      3.22157046      1.68043201      1.03106571 
+
+17
+-1638.0719633393803 10.474207 11.29341 -8.7486 -6.5515 -10.234 0.9228 -0.0043 2.95 9.54177 -2.62354 8.3067024406 10.3648824392 0.111054323
+C      0.96601561     -0.02152623      0.24945913
+C      2.44908675     -0.00335389     -0.12419075
+C      2.64985456      0.02183312     -1.63378389
+C      3.24867885      1.04439218      0.71098366
+N      3.58160159     -0.02351421      1.69334645
+C      3.26706810     -1.06387332      0.67617193
+H      0.83946140     -0.04324409      1.34112533
+H      0.46569363     -0.90682574     -0.17391214
+H      0.45336667      0.87233715     -0.13978070
+H      3.71711109      0.04247027     -1.89906479
+H      2.17216246      0.90820852     -2.08060412
+H      2.20084644     -0.86683202     -2.10541957
+H      2.68305956      1.89187690      1.13271186
+H      4.11741498      1.43484097      0.14790000
+H      4.55249108     -0.02044311      2.01253453
+H      4.14235321     -1.41964407      0.10051578
+H      2.71683401     -1.93495243      1.06888729 
+
+17
+-1642.6380096902951 10.568346 11.49081 -8.9459 -6.7441 -10.31 0.9322 -0.01 3.052 9.72906 -2.8181 8.4330813704 13.6459363558 0.132467738
+C      0.90026236     -0.00275623      0.07970031
+C      2.41912207     -0.00389932      0.00947698
+C      3.20632132      1.04629767      0.84798665
+C      4.23582987     -0.04934956      1.24192904
+N      5.49485792      0.08171382      0.50569398
+C      3.20003935     -1.12207579      0.75995469
+H      0.47265209     -0.87373332     -0.44050764
+H      0.47651703      0.90247567     -0.38220791
+H      0.55788675     -0.03615441      1.12646773
+H      2.73640874      0.03871986     -1.04591988
+H      2.62202505      1.39141222      1.71453543
+H      3.61757056      1.92350665      0.32778635
+H      4.48639678     -0.09800934      2.31241027
+H      5.31118396      0.11593219     -0.50190349
+H      6.07486344     -0.74806586      0.65980118
+H      3.59529826     -1.96089647      0.16696081
+H      2.61126445     -1.52852777      1.59842549 
+
+13
+-1404.383420301149 10.103479 10.34456 -7.8888 -5.9678 -7.924 0.8704 0.0021 1.094 7.39896 -0.52976 4.8013206542 6.2121573482 0.437091103
+C      0.93174721      0.02808266     -0.00827257
+C      2.43170879      0.00002507     -0.00041433
+C      3.27732743      1.09856890      0.00409138
+N      4.57943377      0.63921729      0.01005010
+C      4.58586022     -0.73787709      0.00953395
+C      3.26838795     -1.15995614      0.00307842
+H      0.55279442      1.05937748      0.00034431
+H      0.51295761     -0.48704311      0.87013038
+H      0.52231409     -0.46873219     -0.90158400
+H      3.05594228      2.16127909      0.00360910
+H      5.40450338      1.22659003      0.01461001
+H      5.51597197     -1.29643257      0.01400807
+H      2.93605088     -2.19469943      0.00123518 
+
+12
+-1275.6627939329285 9.254875 9.613 -9.037 -7.0692 -9.168 0.8899 0.0261 0.527 8.49843 -0.01384 5.0896996916 6.6337965384 0.284054818
+C      0.96120202      0.06285260     -0.00476399
+C      2.45392825     -0.03791459     -0.00553249
+N      3.20997311      1.07308462     -0.01041184
+N      4.48562502      0.61383387     -0.01091908
+C      4.56777474     -0.74516748     -0.00647490
+C      3.26198702     -1.20603787     -0.00291118
+H      0.65969499      1.11734062      0.00748295
+H      0.52699494     -0.43277446      0.87594422
+H      0.52753695     -0.41127625     -0.89764158
+H      5.24778383      1.28265108     -0.01374310
+H      5.52173444     -1.26324513     -0.00594053
+H      2.93659471     -2.24143701      0.00122152 
+
+14
+-1385.5163555680488 9.497473 9.7562 -8.3116 -6.2455 -9.042 0.9918 -0.0905 0.748 8.59481 -0.15771 5.139901623 5.2748727826 0.152171621
+C      1.03424115      0.07118999      0.00630771
+C      2.56017455     -0.04914729      0.01032402
+C      3.07364746     -1.26058112     -0.80197325
+C      3.38726789     -0.59437267     -2.11996436
+N      3.43919308      0.69398931     -2.04706120
+N      3.22093801      1.07123778     -0.72177385
+H      0.71012811      0.99255415      0.51278167
+H      0.57525254     -0.77756252      0.53534185
+H      0.64762728      0.08583333     -1.02361793
+H      2.93498067     -0.06891159      1.04419634
+H      2.33342325     -2.07064829     -0.87872003
+H      3.98975132     -1.68859106     -0.35854291
+H      3.61290112     -1.09830459     -3.05894905
+H      2.72004357      1.96105457     -0.69504901 
+
+14
+-1374.0012004041564 9.74861 10.31613 -8.9921 -7.0008 -9.922 1.0616 -0.1126 0.948 9.2031 -0.3835 4.8798533866 9.0901203802 0.195659255
+C      1.48133674      0.51180617      0.11597231
+C      2.83054635     -0.14982457     -0.02467591
+C      3.10017304     -1.09141937     -1.16679797
+N      3.75654094      0.21038479     -1.10437458
+C      3.53725725      1.22014217     -2.04710959
+N      3.33221740      2.46928473     -1.84363536
+H      1.55603680      1.47704430      0.63817296
+H      0.81537616     -0.13434989      0.70635790
+H      1.01420864      0.69339014     -0.86078119
+H      3.34234188     -0.36437456      0.92000432
+H      2.29334437     -1.21907378     -1.89607550
+H      3.74778762     -1.96045051     -1.02469065
+H      3.64687535      0.86519456     -3.08338238
+H      3.27567746      2.66614582     -0.83277436 
+
+14
+-1348.7846351549647 10.096199 10.47148 -8.5972 -6.5518 -10.245 1.3438 -0.4841 0.683 10.25586 -0.11711 4.7064589656 6.9749316188 0.539433449
+C      1.17060010     -0.38867857      0.19664764
+C      2.66894873     -0.27097880      0.31876725
+C      3.59034825     -1.01781393     -0.56534133
+N      3.50548004      0.46940589     -0.69322923
+N      2.72708213      0.79998223     -1.86562874
+C      3.13449593      1.89065100     -2.39228822
+H      0.67847051      0.55162664      0.48671392
+H      0.81013493     -1.17868407      0.87184421
+H      0.86424971     -0.63262047     -0.82638006
+H      3.02922712     -0.03517892      1.32470103
+H      3.13835534     -1.58494006     -1.38254923
+H      4.55742966     -1.37723249     -0.20962449
+H      2.61925153      2.23736270     -3.29239836
+H      3.96908602      2.47393884     -1.97688439 
+
+17
+-1638.2843325173794 10.521131 11.51405 -8.5337 -6.3938 -10.078 0.9335 0.0286 3.044 9.46227 -2.77135 8.1930816702 11.031220399 0.12530493
+C      0.88851325      0.02719269      0.04436192
+C      2.40860256     -0.00083321      0.03549570
+C      3.19582603      1.01927425      0.89472746
+N      4.09475347     -0.06198216      1.42761949
+C      3.16188729     -1.09380061      0.84601220
+C      3.80752088     -2.25082402      0.11114659
+H      0.46552247     -0.84582205     -0.47607004
+H      0.50060961      0.92750128     -0.45648175
+H      0.50152278      0.02484460      1.07554018
+H      2.78564592      0.00792162     -1.00226918
+H      2.59093686      1.44851259      1.71214976
+H      3.70324242      1.84180888      0.36918707
+H      4.96380870     -0.06960080      0.88351050
+H      2.52512276     -1.48391040      1.66260536
+H      4.40753254     -1.89429506     -0.74180872
+H      3.04652400     -2.94508945     -0.27604066
+H      4.46821846     -2.82024816      0.78241412 
+
+16
+-1512.6402389744292 10.184336 11.06574 -8.4007 -6.2292 -9.698 0.8872 -0.0462 3.189 9.45229 -2.85558 7.9595664378 11.7410278504 0.13609653
+C      0.96732353     -0.02006010     -0.02095089
+C      2.47622683     -0.01508269      0.04532030
+C      3.33550685     -0.73914149     -1.00426195
+N      2.83026772     -1.47419414     -2.14357776
+C      3.30673841      0.75743721     -0.97682976
+N      4.50390424      1.51835964     -0.68271577
+H      0.54056206      0.85803080      0.48809200
+H      0.54234297     -0.91852707      0.45487794
+H      0.60695347     -0.00206720     -1.06042107
+H      2.89791486     -0.03885144      1.05581745
+H      4.25131321     -1.18583939     -0.60046951
+H      2.20396364     -0.89742674     -2.70638020
+H      2.29568343     -2.29260313     -1.84093311
+H      2.71249644      1.21247809     -1.77953225
+H      5.17873123      0.93962590     -0.17895670
+H      4.28161112      2.31038174     -0.07363870 
+
+17
+-1640.3114661737086 10.581319 11.57226 -9.2235 -6.9243 -10.584 0.9286 -0.0399 3.049 9.97708 -2.70205 8.6240074118 11.0355227132 0.173093408
+C      0.82766679      0.21021181     -0.33843833
+C      2.28303395      0.05867127      0.06225397
+C      2.55478275      0.10522675      1.55723350
+N      1.94453464     -1.03392098      2.26652365
+C      3.16491820     -0.83282973     -0.77871808
+C      3.33498665      0.67147195     -0.83713868
+H      0.71941215      0.22546433     -1.43241559
+H      0.40284263      1.14930886      0.05272414
+H      0.21691766     -0.62670729      0.03561189
+H      2.22656149      1.09632178      1.93865295
+H      3.64307471      0.04902082      1.72004500
+H      0.92523849     -0.94196382      2.25855876
+H      2.21676002     -1.00673176      3.25178521
+H      2.71684113     -1.33054568     -1.64018402
+H      3.92704505     -1.41974988     -0.26445904
+H      4.22199805      1.10574713     -0.37183091
+H      2.99727562      1.19236443     -1.73483442 
+
+17
+-1633.4476164093212 10.713298 11.57185 -8.2816 -6.2313 -9.736 0.9881 0.0754 3.224 8.98862 -2.93868 7.883153866 11.8342281266 0.110958311
+C      0.89841671     -0.03901796      0.55237442
+C      2.19195296      0.00280813     -0.25077308
+C      3.22928750      1.05248112      0.23351227
+N      3.90612470     -0.01159183      1.01093671
+C      5.35261523      0.00634957      1.07646015
+C      3.25800399     -1.04531844      0.17060225
+H      0.30259833     -0.92838832      0.29634902
+H      0.27837528      0.84756039      0.34971899
+H      1.10919062     -0.06853361      1.63164327
+H      1.97941977      0.03223008     -1.32810031
+H      2.86413917      1.90420464      0.83132336
+H      3.84961192      1.43417515     -0.60446807
+H      5.71389988     -0.89348841      1.59672284
+H      5.68941581      0.88293723      1.65013062
+H      5.83248868      0.04322178      0.07158008
+H      3.88775729     -1.35918584     -0.68816623
+H      2.91662216     -1.94082367      0.71610373 
+
+12
+-1264.6909100452624 9.69029 9.5581 -7.9991 -5.9718 -8.402 1.3257 -0.2745 0.702 7.80224 -0.10132 4.934208849 5.6617091026 0.231572336
+C      1.05025568      0.05540327      0.16533797
+C      2.37958484      0.00659968     -0.02567331
+C      3.31978935     -1.19632356     -0.09265088
+N      4.67062179     -0.66994669     -0.38015585
+C      4.53171482      0.60805926     -0.43490340
+N      3.24802056      1.09197892     -0.21668411
+H      0.50133753      0.99611083      0.19454041
+H      0.48411298     -0.86416713      0.29873852
+H      3.02175282     -1.91002705     -0.87626608
+H      3.33730787     -1.75119163      0.85916528
+H      5.34672164      1.30797621     -0.62942145
+H      2.95941012      2.06025789     -0.30067710 
+
+16
+-1510.2391267382534 10.053297 10.87974 -9.2764 -7.1096 -10.712 0.8609 -0.1332 2.927 10.18543 -2.59712 8.5505333082 12.1130850392 0.152830121
+C      0.81725549      0.16473016     -0.33520674
+C      2.26331488     -0.02711355      0.07180776
+C      2.54520920      0.04749664      1.56373557
+N      1.84300488     -1.01303179      2.30802825
+C      3.16105339     -0.86439456     -0.76648386
+N      3.24415733      0.61793345     -0.83715219
+H      0.73549944      0.20345949     -1.42886303
+H      0.41955917      1.11030699      0.06644270
+H      0.18854336     -0.66255566      0.02687630
+H      2.30009527      1.07497539      1.90937131
+H      3.62667571     -0.09594998      1.72441511
+H      0.83587667     -0.82962565      2.30371507
+H      2.12566862     -0.98290156      3.29037882
+H      2.77149416     -1.33936651     -1.67049551
+H      3.95777704     -1.41744716     -0.26212399
+H      4.05609537      0.93215429     -0.29238560 
+
+14
+-1402.650205971301 9.408407 9.78165 -8.5634 -6.4898 -9.319 0.8106 -0.1299 0.922 8.72001 -0.34126 5.192967631 12.53560453 0.146282523
+C      1.02548309      0.06180004      0.03855791
+C      2.55170911     -0.01670769     -0.01495417
+C      3.07846441     -1.21270784     -0.86360512
+N      3.42948374     -0.66676998     -2.19212021
+C      3.43038110      0.61130416     -2.04086647
+N      3.14933289      1.11032931     -0.77127031
+H      0.68560114      0.97695039      0.54689739
+H      0.61829194     -0.79646824      0.59351701
+H      0.60101011      0.04673693     -0.97654159
+H      2.96346682     -0.03589633      1.00561669
+H      2.33167138     -2.01585616     -0.96005856
+H      3.98384921     -1.65400883     -0.41392618
+H      3.68512969      1.30886730     -2.84332985
+H      2.68844538      2.01750695     -0.70985654 
+
+12
+-1285.5126511291476 9.288655 9.52735 -8.444 -6.3775 -8.13 0.6698 -0.247 0.824 7.68914 -0.14805 4.6104690044 9.2648786472 0.266477157
+C      0.94901826     -0.01803704     -0.00799229
+C      2.43842896      0.04437856     -0.00055186
+C      3.32852480      1.10025925      0.00340425
+N      4.63751228      0.65898977      0.00907061
+C      4.55550936     -0.65884215      0.00887424
+N      3.24792839     -1.08211151      0.00299884
+H      0.53906718      0.99958328     -0.00073956
+H      0.55056744     -0.54207128      0.87509284
+H      0.55865325     -0.52625669     -0.90388571
+H      3.08772375      2.16045461      0.00233828
+H      5.39023698     -1.35457204      0.01283284
+H      2.92650936     -2.04546476      0.00190753 
+
+10
+-1103.1716449929504 9.248904 8.75915 -9.8875 -7.9194 -9.899 -1.2435 -2.9981 -1.327 9.44142 1.83697 4.194198408 5.2825723132 0.528209465
+C      0.87521160      0.00041139      0.00144561
+C      2.22227258      0.00003827     -0.00019706
+C      3.15615754      1.13080433     -0.00208658
+N      4.39047929      0.73091457     -0.00331602
+N      4.39008591     -0.73201096     -0.00233965
+C      3.15554426     -1.13123327     -0.00057875
+H      0.30628423      0.93185876      0.00151230
+H      0.30574441     -0.93070339      0.00275299
+H      2.89955218      2.19057118     -0.00247933
+H      2.89836800     -2.19086087      0.00043648 
+
+12
+-1244.2957336906138 10.159586 9.52093 -7.9861 -5.9997 -8.441 0.4408 -1.1915 -0.244 8.02026 0.68567 4.3524417398 4.3524417398 0.341504691
+C      0.99193832      0.00678802     -0.16191505
+C      2.32581504     -0.01595878      0.03156514
+C      3.24101205     -1.22358167      0.13318577
+N      4.49608648     -0.61376675      0.62899255
+N      4.45694734      0.75590547      0.48214746
+C      3.23147915      1.11096127      0.20709363
+H      0.40992422     -0.90723311     -0.28167214
+H      0.45064254      0.95213935     -0.20492429
+H      3.38999515     -1.69409209     -0.85481439
+H      2.87143179     -1.98792398      0.83133317
+H      5.37803403     -1.00140201      0.29867060
+H      2.96855390      2.16547427      0.14579756 
+
+12
+-1244.3895471422868 8.881172 9.12019 -9.9587 -7.8866 -9.954 0.2379 -1.5001 0.138 9.64219 0.40373 4.9355478978 12.3073339054 0.251487418
+C      0.88000207      0.00043579      0.07349355
+C      2.41933992      0.00050427      0.05768432
+C      3.06977796      1.12402151     -0.69148813
+N      3.88317057      0.72707157     -1.61333492
+N      3.88322411     -0.73118991     -1.61104319
+C      3.06992201     -1.12531172     -0.68790826
+H      0.49787931      0.88956164      0.59217195
+H      0.49799210     -0.88684238      0.59540624
+H      0.48269929     -0.00145128     -0.95001483
+H      2.79056554      0.00219121      1.10167613
+H      2.90954494      2.18861189     -0.50800446
+H      2.90980216     -2.18933260     -0.50106841 
+
+14
+-1383.7159261238023 9.54119 9.81752 -8.3557 -6.2748 -9.06 1.1053 -0.1753 0.755 8.6197 -0.16046 5.1266599182 5.3021249054 0.137939215
+C      0.95616677      0.03034665     -0.06765026
+C      2.49285953     -0.03898263     -0.00901674
+C      3.03183629     -1.30914479      0.68492861
+N      3.18141754     -0.85018562      2.08494255
+N      3.42840897      0.52337246      2.08177595
+C      3.05941119      1.00141112      0.93969015
+H      0.55338233     -0.76154078     -0.71620697
+H      0.62142478      0.99758675     -0.46904873
+H      0.52408108     -0.08968325      0.93609879
+H      2.90135593      0.06474087     -1.02581427
+H      4.00597961     -1.60367563      0.25229893
+H      2.33963670     -2.16074936      0.62340239
+H      3.89029121     -1.33011076      2.63829098
+H      3.07871807      2.07743497      0.76686864 
+
+12
+-1273.5427967196222 9.189708 9.50495 -8.89 -6.8741 -8.863 0.8558 -0.0037 0.454 8.28442 0.07334 4.8901566232 6.3704378758 0.296303052
+C      0.93292583      0.01214417     -0.00810411
+C      2.43150466      0.01917739     -0.00086858
+C      3.28096960      1.11810009      0.00351524
+N      4.55390175      0.62713358      0.00878308
+N      4.60522564     -0.72399249      0.00834793
+C      3.31572332     -1.09105093      0.00238468
+H      0.52978336      1.03345015      0.00099138
+H      0.52817242     -0.51216502      0.87042123
+H      0.53636667     -0.49311124     -0.90148213
+H      3.07694768      2.18471951      0.00339115
+H      5.42156495      1.15217236      0.01327700
+H      3.06405412     -2.14930757      0.00082313 
+
+17
+-1640.8395853628601 10.566729 11.61186 -8.919 -6.8175 -10.467 0.8844 -0.028 2.91 9.93293 -2.59728 8.2422917136 11.387928121 0.284349969
+C      1.04960663      0.04610728     -0.12235760
+C      2.55494284      0.12554316     -0.04737477
+N      3.41775184     -0.55562063     -1.05036202
+C      3.41413655      0.93388898     -0.96747889
+C      2.81516629      1.73424419     -2.10602029
+C      4.70673361      1.51079921     -0.42305910
+H      0.58308947      0.80659920      0.52286170
+H      0.70143672     -0.93911037      0.22387087
+H      0.66951057      0.19188782     -1.14295595
+H      2.94395611      0.00290324      0.97107530
+H      2.82313698     -0.83838031     -1.83989974
+H      1.87398865      1.30749443     -2.47751387
+H      3.52082621      1.77464549     -2.95117149
+H      2.61561911      2.77174961     -1.79432409
+H      5.11456689      0.86669541      0.36676858
+H      4.54609743      2.51813498     -0.00862259
+H      5.46250410      1.58696831     -1.22049605 
+
+15
+-1494.6161275060956 10.609261 11.38831 -8.9259 -6.8487 -9.307 1.049 -0.022 1.312 8.82776 -0.73375 6.4682628298 6.4682628298 0.43744565
+C      1.01265682     -0.09044417     -0.07168155
+C      2.51730473     -0.00317483     -0.03757042
+N      3.33592110     -0.62285298     -1.09840612
+C      3.27130630      0.85523777     -1.01312110
+C      4.51351651      1.57905859     -0.64378971
+C      5.70160323      0.99782524     -0.43684815
+H      0.55704926      0.65312353      0.59968568
+H      0.66957438     -1.08543153      0.25095061
+H      0.62735711      0.08961289     -1.08727927
+H      2.97443092     -0.11051011      0.95228298
+H      2.72139009     -0.94128571     -1.85602060
+H      2.63409329      1.37287408     -1.74065160
+H      4.40578630      2.66307974     -0.52652334
+H      5.81639110     -0.08074214     -0.56014683
+H      6.57430886      1.58247963     -0.14528057 
+
+13
+-1336.2741985991158 10.29847 11.25686 -9.3174 -7.1806 -9.628 0.9142 -0.1123 2.155 9.26113 -1.75054 4.3566944596 10.5921115814 0.414632545
+C      1.01800622     -0.02098640     -0.07583166
+C      2.52236319      0.02380318      0.00965233
+N      3.36538130     -0.66923680     -0.97899807
+C      3.31696442      0.82742599     -0.97774259
+C      4.51427261      1.53278892     -0.61195611
+C      5.50461263      2.16139127     -0.29704562
+H      0.56482597      0.77108256      0.53853148
+H      0.63640642     -0.98689978      0.28770041
+H      0.67280524      0.11410001     -1.11223283
+H      2.93867458     -0.03423393      1.02027825
+H      2.77409084     -1.00169755     -1.75081204
+H      2.73177165      1.30612537     -1.77036921
+H      6.38682492      2.70217715     -0.02233434 
+
+16
+-1512.7356288290243 10.151871 11.24959 -9.1339 -6.85 -10.516 0.9765 0.0596 3.061 10.14025 -2.81587 8.5312410866 11.6729843336 0.327136098
+C      1.04773206     -0.11254699     -0.03262051
+C      2.55007775      0.03039669     -0.03881758
+N      3.35157672     -0.47765192     -1.17920979
+C      3.22615317      0.98904749     -0.95165043
+C      4.51261221      1.69091426     -0.59245689
+N      5.31375671      1.89542091     -1.80859860
+H      0.59269651      0.54367102      0.72487875
+H      0.74903973     -1.14617045      0.19900036
+H      0.61952659      0.15585484     -1.01035252
+H      3.03360706     -0.16513097      0.92506658
+H      2.71332249     -0.75668332     -1.93305752
+H      2.58335961      1.54252695     -1.64530286
+H      5.02177251      1.09916408      0.19443870
+H      4.27825690      2.67925303     -0.16266396
+H      5.57887635      0.97616620     -2.17485222
+H      6.18615363      2.37540817     -1.57656153 
+
+12
+-1246.328232290004 9.065221 10.03071 -10.1895 -8.0595 -11.182 0.7378 -0.4174 1.269 10.82105 -0.89928 5.3393579012 11.1510900638 0.252445968
+C      1.02012652     -0.00806250     -0.08025001
+C      2.52378365      0.01017492      0.01509572
+N      3.36570431     -0.67178504     -0.97861339
+C      3.32893244      0.81607117     -0.96329185
+C      4.53981607      1.49419565     -0.57030173
+N      5.49659060      2.07814893     -0.24421603
+H      0.57785276      0.79030461      0.53277335
+H      0.62456469     -0.96802739      0.28231486
+H      0.68221589      0.13149514     -1.11801404
+H      2.93580785     -0.06452241      1.02600646
+H      2.78695193     -0.99650052     -1.76244354
+H      2.76896328      1.33411744     -1.74732980 
+
+16
+-1512.7412730836593 10.134728 10.86736 -8.5553 -6.403 -9.977 0.8874 -0.0589 3.048 9.5246 -2.76432 8.0286142412 13.8594526464 0.141026976
+C      0.95275065      0.05793216      0.07984468
+C      2.46513544     -0.00334467      0.02380572
+N      3.21833845      1.04263366      0.80205116
+C      4.17353635     -0.01889155      1.27322247
+C      3.22328106     -1.13630159      0.79028025
+N      3.82039366     -2.29304925      0.14690657
+H      0.50590015     -0.76707956     -0.49607738
+H      0.57611107      1.00167447     -0.34250469
+H      0.59316422     -0.02039618      1.11882511
+H      2.80524922      0.03618780     -1.02944995
+H      2.63539004      1.33565875      1.59333635
+H      5.10596587      0.01883345      0.68394576
+H      4.43560593      0.00711134      2.34060990
+H      2.59724543     -1.49447770      1.62581863
+H      4.30799908     -2.01208885     -0.70862515
+H      3.10889337     -2.97563227     -0.12240942 
+
+16
+-1516.9373440884142 10.25403 10.93511 -8.3764 -6.2266 -9.705 0.7954 -0.1834 3.097 9.34332 -2.75346 7.8430567936 11.183661186 0.154223996
+C      0.97886906     -0.11026055     -0.13236044
+C      2.48586889     -0.05134454      0.01728344
+N      3.04254443     -0.13530152      1.35635595
+C      3.35317726     -0.68870522     -1.05637810
+C      3.30111608      0.81366376     -0.95074136
+N      4.49174975      1.53517592     -0.55707356
+H      0.67288222      0.02541023     -1.18086549
+H      0.49218050      0.68107885      0.46123040
+H      0.57968472     -1.08045898      0.20821137
+H      2.87854656     -1.06494969      1.75247279
+H      2.57422402      0.53436741      1.97388067
+H      2.86451522     -1.17891655     -1.89972206
+H      4.27519344     -1.16453919     -0.71662462
+H      2.72730600      1.33135097     -1.72434718
+H      4.85976215      1.08319768      0.28815013
+H      4.22882969      2.48288142     -0.26879195 
+
+17
+-1643.824874787019 10.534433 11.31095 -8.9257 -6.7908 -10.274 0.9153 -0.0643 3.012 9.69146 -2.73717 8.251950223 13.4554690626 0.101394152
+C      0.91721329     -0.01250961      0.09669045
+C      2.43518977      0.01206710     -0.01479995
+N      2.80131781     -0.02518434     -1.43925041
+C      3.18480859      1.08983191      0.85433507
+C      4.20911204      0.00354117      1.28035598
+C      3.22633159     -1.08375353      0.76746836
+H      0.59882980     -0.01678108      1.14855539
+H      0.51207290     -0.90535166     -0.40112334
+H      0.47317656      0.87461655     -0.38436606
+H      3.82058439     -0.01524898     -1.53970080
+H      2.46474026      0.82691318     -1.89956951
+H      2.57329745      1.43444397      1.70219500
+H      3.56633588      1.96919928      0.31449082
+H      5.13820057      0.04338612      0.69348440
+H      4.48079347     -0.03236919      2.34375437
+H      3.63275179     -1.90058614      0.15419585
+H      2.62400384     -1.51702475      1.57878439 
+
+15
+-1514.4522519538934 10.361481 10.75838 -8.3793 -6.1977 -8.733 0.9805 0.0008 1.457 8.38401 -0.8323 5.9055399702 12.4356842126 0.265041682
+C      0.97944245      0.07273507     -0.27880003
+C      2.44906603     -0.00815230      0.14949532
+N      2.71529596     -1.21659351      0.96827011
+C      3.63227935     -0.87007887      2.07255465
+C      3.54102611      0.62927835      2.13210925
+C      2.89126383      1.10627464      1.06522023
+H      0.70603788     -0.80223566     -0.88596117
+H      0.79431140      0.97479987     -0.88162685
+H      0.32901255      0.09211573      0.60674139
+H      3.07365751      0.01804679     -0.77293151
+H      3.07516666     -1.98270227      0.40124968
+H      4.68276714     -1.18612353      1.89583194
+H      3.31459545     -1.34705129      3.01773214
+H      3.97027978      1.21851469      2.94248141
+H      2.69725791      2.15661228      0.84681343 
+
+14
+-1406.7776392726962 9.578764 10.21813 -8.4557 -6.3798 -9.22 0.8051 -0.1517 1.082 8.60438 -0.43061 5.1969475816 12.3058832692 0.27083462
+C      1.08098114      0.04175576      0.06359981
+C      2.57332089     -0.02491602     -0.00082710
+N      3.24555263     -1.11764483     -0.13980732
+C      4.66951122     -0.73170547     -0.09250944
+C      4.69784789      0.80925756     -0.25784118
+N      3.32578112      1.14882697      0.16228988
+H      0.66773786     -0.96565192     -0.04895712
+H      0.67678154      0.68564860     -0.73274619
+H      0.75470986      0.46179354      1.02628453
+H      5.08527987     -1.03451912      0.88455479
+H      5.24201183     -1.25596113     -0.87055910
+H      4.87956618      1.09939451     -1.30848899
+H      5.44706805      1.30024469      0.37810104
+H      2.92252992      2.00925684     -0.20457363 
+
+12
+-1287.0083645083378 9.325879 9.61676 -8.4506 -6.3846 -8.191 0.6941 -0.2266 0.89 7.78471 -0.21035 4.7139229228 13.0230058946 0.510009249
+C      0.97360476      0.00949593     -0.00411270
+C      2.46490148      0.03163808     -0.00488931
+N      3.22864246      1.11579329     -0.00829041
+C      4.53226090      0.65950325     -0.00911575
+C      4.56771733     -0.71601991     -0.00643004
+N      3.23924466     -1.10647261     -0.00364923
+H      0.61433893      1.04431443      0.00667450
+H      0.56958941     -0.50582974      0.88061574
+H      0.56861370     -0.48709455     -0.89914897
+H      5.37370314      1.34665614     -0.01157393
+H      5.38097406     -1.43327550     -0.00572466
+H      2.90056916     -2.06346880     -0.00106526 
+
+16
+-1513.479249578294 10.105203 10.67968 -8.8408 -6.6525 -10.231 0.8717 -0.1023 3.068 9.67938 -2.7721 8.152761423 13.5905766068 0.109628149
+C      0.97852966     -0.00070063      0.22606662
+C      2.46019232      0.01723147     -0.13402230
+N      2.61215709     -0.03051733     -1.57995666
+C      3.26290965      1.05358265      0.73070320
+N      3.55982261     -0.03924476      1.69385628
+C      3.27811852     -1.05452439      0.64275434
+H      0.85191241     -0.02356981      1.31651519
+H      0.49031854     -0.88322083     -0.21148114
+H      0.47384059      0.90056364     -0.15855192
+H      3.58489889      0.13825614     -1.84746930
+H      2.04721933      0.69702434     -2.02603869
+H      2.71543177      1.91038074      1.15864055
+H      4.14452660      1.42571352      0.17248243
+H      4.51628527     -0.04839490      2.05295666
+H      4.16405935     -1.36546497      0.05677162
+H      2.74242741     -1.95192490      0.99153312 
+
+14
+-1388.8413084964288 9.767286 10.14933 -8.1502 -6.0777 -8.899 0.883 -0.0393 0.916 8.44046 -0.26241 5.1775189754 5.3338405242 0.151747975
+C      1.05093778     -0.03722248      0.00234648
+C      2.54012520      0.02679934     -0.00687924
+N      3.28179038     -1.03167091      0.03415984
+N      4.62399497     -0.64387419      0.16626633
+C      4.74715264      0.76820620     -0.27456123
+C      3.35055699      1.30973632      0.05806891
+H      0.71655552     -1.08021477     -0.05157938
+H      0.62054261      0.52168106     -0.84333126
+H      0.64269924      0.41361608      0.92260205
+H      5.21200012     -1.30271082     -0.34502602
+H      4.93715415      0.83759529     -1.36245699
+H      5.56030046      1.27388709      0.26231453
+H      3.00078973      2.08548403     -0.63675236
+H      3.30409022      1.73000776      1.07951835 
+
+12
+-1251.0862231731794 9.065942 9.36457 -9.8436 -7.6887 -9.601 0.4524 -1.2939 0.224 9.23759 0.35151 4.8802253446 11.6043084882 0.270937439
+C      0.96959053      0.08245928     -0.00516804
+C      2.45780503     -0.00799769     -0.00042875
+N      3.22110973      1.04227389     -0.00389622
+N      4.60363649      0.61545084      0.00101325
+C      4.62857372     -0.67720842      0.00779690
+C      3.26188326     -1.27765852      0.00805599
+H      0.66187260      1.13442358     -0.00249016
+H      0.53984204     -0.41839835      0.87569248
+H      0.54666790     -0.41105616     -0.89356459
+H      5.57474675     -1.22100156      0.01268253
+H      3.06996713     -1.91310952     -0.87246504
+H      3.06627483     -1.90291736      0.89508164 
+
+17
+-1640.2221895041237 10.683585 11.85916 -8.6743 -6.4839 -9.935 0.9508 0.0337 3.122 9.48569 -2.80341 8.0966081636 11.3824355412 0.198224044
+C      3.07886899     -1.21107419     -0.50036744
+C      2.46903955      0.01362859      0.18954010
+C      3.40273239      1.20610792      0.22847416
+C      3.53239843      2.11763976     -0.98273646
+C      2.87120128      2.62782911      0.26767875
+N      3.48251257      3.71341514      1.00923644
+H      2.37193691     -2.05323629     -0.52380067
+H      3.98533416     -1.55046653      0.02366574
+H      3.36357901     -0.97849354     -1.53742860
+H      2.17065489     -0.25224552      1.21873954
+H      1.54067520      0.30538822     -0.33129429
+H      4.33267449      1.04839539      0.78603527
+H      2.90740993      1.91199670     -1.85405575
+H      4.52153896      2.51158676     -1.22621511
+H      1.78120009      2.72149456      0.22087534
+H      4.49329107      3.72328040      0.85281978
+H      3.34505210      3.57578355      2.01454319 
+
+17
+-1638.522062676825 10.528822 11.58687 -8.7557 -6.5893 -10.213 0.958 0.0277 3.166 9.51354 -2.87552 8.3780563836 10.3291868698 0.111340949
+C      2.34089130     -0.53051455     -1.46072383
+C      2.46765728      0.04336473     -0.04781125
+C      3.23984010      1.35339143     -0.01012875
+C      2.59938355      2.64112609     -0.59604681
+C      3.17203491      3.36095598      0.64664689
+N      3.29032800      2.03629599      1.31772509
+H      1.78537851     -1.47873021     -1.45794877
+H      3.32942012     -0.72485588     -1.90502537
+H      1.80814883      0.16400491     -2.12819519
+H      2.97409123     -0.68436420      0.60950274
+H      1.47206412      0.21841525      0.39190687
+H      4.24830049      1.20307012     -0.45065559
+H      1.50127595      2.59046580     -0.57646788
+H      2.93733426      2.97991498     -1.58241186
+H      4.14159186      3.84466374      0.42478278
+H      2.52526757      4.08159032      1.17039249
+H      4.15751194      1.89467550      1.84173842 
+
+15
+-1493.4210009561439 10.7008 11.33668 -8.8901 -6.7583 -9.533 1.5075 -0.0822 1.336 8.995 -0.75228 6.6728273312 6.6728273312 0.458636331
+C      1.10536711     -0.34071452     -0.30710044
+C      1.73831268      0.48933312      0.53073816
+C      2.75367727      1.50194436      0.11469160
+C      2.51367400      3.00450684      0.45487660
+C      4.01517988      3.05139513      0.81869965
+N      3.98208581      1.57069004      0.96473557
+H      0.35395119     -1.04897191      0.04511180
+H      1.31919944     -0.33614033     -1.37946736
+H      1.52157697      0.46316523      1.60486050
+H      2.97479347      1.39061401     -0.96635719
+H      1.86875092      3.11901124      1.33654518
+H      2.15445213      3.64796181     -0.35651994
+H      4.62868908      3.41109468     -0.02871125
+H      4.30976922      3.59397008      1.72973364
+H      4.79146083      1.06884022      0.59081350 
+
+13
+-1334.9832777367856 10.116203 10.96684 -9.1295 -6.9817 -9.746 0.9229 -0.1091 2.351 9.34066 -1.91039 4.381293282 10.5176951842 0.439327902
+C      0.93207444     -0.04902783      0.02578934
+C      2.14617229     -0.02896707      0.04462201
+C      3.59893675      0.02204202      0.05414689
+C      4.32573980      1.10720378      0.90619487
+C      5.33284565     -0.01035146      1.25971647
+N      4.30231547     -1.01451620      0.87366563
+H     -0.13843321     -0.07326943      0.02015657
+H      3.96381383      0.06619611     -0.99196368
+H      3.71535269      1.40738057      1.76608562
+H      4.69370439      1.99032458      0.37265752
+H      6.21714829      0.01278517      0.59577474
+H      5.66864687     -0.08673751      2.30420815
+H      4.64407273     -1.81492272      0.33566586 
+
+17
+-1638.6899199342033 10.450449 11.48173 -9.1879 -7.0479 -10.729 0.9118 -0.0152 2.904 10.12084 -2.57246 8.5079565158 11.35897739 0.148291347
+C      2.70010270     -1.42708093     -0.70112373
+C      2.02783569     -0.11971267     -0.27262879
+C      3.00399006      0.97555701      0.13273896
+C      3.79853230      0.72725312      1.39896420
+C      3.61221113      1.82427970     -0.93111009
+N      2.49128152      2.34841766     -0.10844274
+H      1.95195822     -2.16162934     -1.03106600
+H      3.26971602     -1.88699475      0.11989798
+H      3.39613984     -1.25949575     -1.53725820
+H      1.33977014     -0.30785580      0.57008134
+H      1.40810347      0.27403850     -1.09251338
+H      4.50006530      1.55119173      1.59577304
+H      4.38786212     -0.19957035      1.33221913
+H      3.12645958      0.63356372      2.26687003
+H      3.35992836      1.64736010     -1.98021542
+H      4.61797713      2.21888632     -0.76206650
+H      2.87250641      2.97846174      0.60649018 
+
+17
+-1631.8679936254257 10.737545 11.89001 -8.8212 -6.7705 -10.397 0.9805 0.0873 3.173 9.72194 -2.84307 8.4516420746 11.522948875 0.157797828
+C      3.00414949     -1.21827195     -0.38093025
+C      2.39304003      0.08960935      0.12982829
+C      3.39201878      1.22462296      0.15958664
+C      3.64484231      2.10347593     -1.02435899
+N      2.87919622      2.59785727      0.12806875
+C      3.57692647      3.56012415      0.97580721
+H      2.25811232     -2.02518981     -0.39690197
+H      3.83741453     -1.54887072      0.25780688
+H      3.39593530     -1.10067676     -1.40251007
+H      1.98639759     -0.05722954      1.14507674
+H      1.54435616      0.39193729     -0.50346372
+H      4.26886591      1.05584918      0.80193931
+H      3.07131862      1.95964180     -1.94446749
+H      4.66278962      2.48486977     -1.16302012
+H      3.13962326      3.53827632      1.98494702
+H      3.44049606      4.57138998      0.56469807
+H      4.66590734      3.36352478      1.06202372 
+
+17
+-1635.975044787968 10.446612 11.4234 -8.7154 -6.5037 -10.192 0.9556 0.0182 3.142 9.51943 -2.85006 8.3614050638 10.6097175934 0.115660497
+C      2.24215709     -0.53561294     -1.44929613
+C      2.42151158      0.08634019     -0.06259875
+C      3.38538401      1.27116385     -0.05430921
+C      2.80559617      2.59548585     -0.62859666
+N      2.50957375      3.04018011      0.76089494
+C      3.46572545      2.03321373      1.29690081
+H      1.53023142     -1.37290379     -1.42327586
+H      3.19723216     -0.92072595     -1.83872473
+H      1.86021736      0.19940463     -2.17415539
+H      2.79704774     -0.67934505      0.63817354
+H      1.44711412      0.41950163      0.33265405
+H      4.35664795      0.97162171     -0.47619548
+H      1.91696803      2.51846350     -1.27763960
+H      3.57533428      3.19505741     -1.14900898
+H      2.74623843      4.01351312      0.96345756
+H      4.48154830      2.42279683      1.49480941
+H      3.10689215      1.49968518      2.19318048 
+
+15
+-1491.3868960760776 10.62106 11.16215 -8.8931 -6.6845 -9.372 0.9373 0.0065 1.375 8.83632 -0.79828 6.586384292 6.586384292 0.475038985
+C      0.98405556     -0.33290046     -0.16712119
+C      1.67348912      0.58653665      0.51940260
+C      2.75430550      1.44420756     -0.05072962
+C      2.62478192      2.96039284      0.30076177
+N      3.56113494      2.75576792      1.43613927
+C      4.05345803      1.49897705      0.81446261
+H      0.20357741     -0.93120772      0.30496173
+H      1.17838981     -0.51734604     -1.22710252
+H      1.45486074      0.74655876      1.58206493
+H      2.90621388      1.21901761     -1.11513565
+H      1.62578233      3.32400626      0.58872971
+H      3.01909262      3.59336155     -0.51589426
+H      4.26498487      3.48676991      1.55827243
+H      4.95063358      1.61787258      0.17884809
+H      4.21939968      0.67095554      1.52171009 
+
+13
+-1333.579738174949 10.057503 10.80365 -8.8983 -6.7163 -9.716 0.8506 -0.1829 2.284 9.34522 -1.8555 4.344221468 10.5416492794 0.617833368
+C      0.88677371     -0.02313369      0.06299247
+C      2.10081987     -0.00639517      0.01205005
+C      3.54838691      0.01079427     -0.00043141
+C      4.30813981      1.04830913      0.88698238
+N      5.21270991     -0.01878623      1.42411892
+C      4.33212332     -1.06709956      0.81503970
+H     -0.18335985     -0.03779754      0.09524042
+H      3.91528544      0.05025813     -1.03844642
+H      3.67332453      1.46528871      1.68333326
+H      4.80346248      1.87125544      0.35306513
+H      6.10736821      0.00816726      0.92933218
+H      4.84550277     -1.84052110      0.22688803
+H      3.70746288     -1.55144964      1.58071527 
+
+17
+-1639.4264028247192 10.6107 11.95416 -9.1437 -7.0228 -10.73 0.9449 0.03 3.018 10.12658 -2.74544 8.5806123118 11.340875434 0.131174198
+C      3.07230632     -1.18648745     -0.49646240
+C      2.46189069      0.04211101      0.18701400
+C      3.43589957      1.19189685      0.31829008
+N      3.74166801      2.06074070     -0.84752799
+C      2.97750501      2.60672649      0.30384822
+C      3.65411364      3.69097378      1.10527902
+H      2.33834576     -1.99970152     -0.58563563
+H      3.93018988     -1.57044285      0.07551717
+H      3.43237128     -0.94302634     -1.50693474
+H      2.09897818     -0.23622429      1.19178001
+H      1.57586560      0.38580399     -0.37557245
+H      4.33122984      0.96599350      0.91137697
+H      3.09085464      1.83185911     -1.60844216
+H      1.89969620      2.74413467      0.15338562
+H      4.73076684      3.48885888      1.18768353
+H      3.23065342      3.75536897      2.11909011
+H      3.53169513      4.67192451      0.62184064 
+
+17
+-1642.745176121184 10.560431 11.53907 -9.1512 -6.9792 -10.347 0.9028 -0.0491 3.072 9.71593 -2.72216 8.2999823994 10.9533199952 0.220968745
+C      2.80017998     -1.37457383     -0.36908140
+C      2.24595195     -0.07893787      0.23028017
+C      3.26174899      1.05879011      0.28839826
+N      4.45229019      0.88277789      1.10508403
+C      3.46911592      1.88964837     -0.95840321
+C      2.74227622      2.47660260      0.23577575
+H      2.03183905     -2.16023314     -0.39611149
+H      3.64369789     -1.76543964      0.22069228
+H      3.15587732     -1.21459456     -1.39830180
+H      1.87248337     -0.27164267      1.25244694
+H      1.37296085      0.25159757     -0.35673072
+H      4.18297189      0.68407600      2.07386959
+H      4.98821655      0.07365346      0.77883679
+H      2.88293223      1.63953655     -1.84400387
+H      4.48006659      2.24798965     -1.15101668
+H      3.27950133      3.21676587      0.82842430
+H      1.66432967      2.62634365      0.15971108 
+
+17
+-1635.5296102675518 10.442884 11.52968 -9.388 -7.1944 -10.968 0.9532 0.0295 3.06 10.29827 -2.76638 8.8685573982 11.564732157 0.137327024
+C      2.94321147      0.56586096     -1.95327644
+C      2.73236770     -0.16587865     -0.62468833
+C      3.37108219      0.52647811      0.58843341
+C      4.88291975      0.57736701      0.54579760
+C      5.63832693      1.74423150      0.01067635
+N      5.53414568      1.53180657      1.47224573
+H      2.43291293      0.04683486     -2.77732479
+H      4.00931972      0.63616770     -2.21261513
+H      2.54428571      1.59122302     -1.90739543
+H      3.12644215     -1.19428811     -0.70454196
+H      1.65183210     -0.27275594     -0.43548607
+H      3.06971411     -0.00195328      1.50877394
+H      2.98971896      1.55678826      0.68573352
+H      5.36981970     -0.39822517      0.42076166
+H      5.08795961      2.61392554     -0.35831124
+H      6.59497924      1.56094324     -0.48589842
+H      6.41034205      1.13209437      1.82190560 
+
+15
+-1491.64238368357 10.631579 11.48999 -9.3392 -7.1526 -9.497 1.0445 0.0373 1.343 8.97309 -0.77518 6.6624745002 6.6624745002 0.486812802
+C      1.44875523      0.49086271     -1.34598868
+C      2.29815518     -0.10602661     -0.50200016
+C      3.13182305      0.60053346      0.52856573
+C      4.61680632      0.35641931      0.33169686
+C      5.57103295      0.34155705      1.47267832
+N      5.13694117     -0.92970242      0.84827469
+H      0.87391423     -0.07891619     -2.07768227
+H      1.29438144      1.57332726     -1.32845241
+H      2.42859038     -1.19312686     -0.54583240
+H      2.86449770      0.23316493      1.53421950
+H      2.92744304      1.68371904      0.50542618
+H      5.01443386      0.70446202     -0.62803575
+H      5.19579751      0.49810466      2.48750308
+H      6.58938652      0.69753896      1.29808722
+H      5.87662144     -1.27943731      0.23170011 
+
+13
+-1335.2012547369663 9.992722 11.02453 -9.6537 -7.4484 -9.935 0.9434 -0.0152 2.257 9.52076 -1.84964 4.3732465906 10.627150025 0.361139678
+C      5.39216941     -2.09277763      0.00566746
+C      4.63035010     -1.14761209      0.00453396
+C      3.73576580      0.00480585      0.01684452
+C      4.47712289      1.33121925      0.10607047
+C      4.92771734      2.05125826     -1.11170119
+N      3.72384811      2.50571113     -0.37387338
+H      6.05343832     -2.93486344     -0.00020078
+H      3.03906898     -0.07958925      0.86813812
+H      3.11332616      0.01335024     -0.89251624
+H      5.09689283      1.44710255      1.00086613
+H      4.72015547      1.62269927     -2.09538120
+H      5.84407846      2.64299450     -1.04961425
+H      3.95437613      3.32494136      0.19634637 
+
+15
+-1495.1039369122764 10.979483 11.82435 -8.7607 -6.7068 -8.951 0.9938 0.0587 1.314 8.47548 -0.68778 6.1702004858 6.1702004858 0.466933923
+C      0.73974113      0.18219670      0.12242546
+C      2.18542480      0.24927920      0.50733204
+C      3.20379254      0.43170880     -0.34659616
+C      4.62537635      0.48294148      0.04827226
+C      5.70583037     -0.09914657     -0.80927907
+N      5.51063871      1.36069637     -0.77035202
+H      0.29293604     -0.78341695      0.41007780
+H      0.60435457      0.31252036     -0.96039628
+H      0.15485024      0.96179340      0.63695409
+H      2.41172690      0.13886640      1.57541793
+H      3.00528617      0.55562553     -1.41759547
+H      4.80993441      0.45029073      1.12767680
+H      5.43648155     -0.56754060     -1.75934700
+H      6.56849471     -0.54168608     -0.30376907
+H      6.21530149      1.78937124     -0.16178130 
+
+15
+-1494.615159411991 10.479664 11.17575 -8.8917 -6.815 -9.057 0.9802 -0.0846 1.408 8.4651 -0.77356 6.3035970232 6.3035970232 0.406983888
+C      0.97616951      0.04280580     -0.61524066
+C      2.36424930      0.03280045     -0.03218955
+C      2.97362315     -1.07898227      0.40512153
+C      3.02394548      1.37244701      0.04132600
+C      3.12142814      2.13906028      1.32556772
+N      4.31195308      1.48182388      0.75018880
+H      0.98250710      0.43511359     -1.64576094
+H      0.30640150      0.69772332     -0.03419276
+H      0.54220812     -0.96521053     -0.63544935
+H      2.47329987     -2.04796120      0.36495275
+H      3.98283345     -1.02941462      0.81554313
+H      2.88791011      1.99308302     -0.85386843
+H      2.74948448      1.67158323      2.24052930
+H      3.04019293      3.22893714      1.28556579
+H      4.90050377      2.17722088      0.28240668 
+
+17
+-1637.3665017042804 10.515985 11.63573 -9.369 -7.2106 -10.927 0.9535 0.0402 2.983 10.2601 -2.6519 8.820921977 11.579920442 0.212114524
+C      1.10896177      0.12618565      0.10291939
+C      2.61777114     -0.06808492     -0.09017266
+C      2.93350321     -0.83768762     -1.37826236
+C      3.33752238      1.26774759     -0.07859824
+C      3.81042975      1.90593148      1.17878170
+N      4.77467255      1.24017845      0.26999142
+H      0.88891945      0.66086030      1.03867595
+H      0.58766966     -0.84177256      0.13336216
+H      0.67709746      0.70873764     -0.72687185
+H      3.01470746     -0.64719054      0.76225518
+H      2.55445708     -0.29806501     -2.26155631
+H      2.46603033     -1.83339243     -1.37135641
+H      4.01853880     -0.96828071     -1.49557396
+H      3.03205133      1.95479544     -0.87914291
+H      3.66055083      1.39060205      2.13146665
+H      3.80757191      2.99722365      1.24139366
+H      5.28030490      1.94849154     -0.27082142 
+
+13
+-1339.7270321251503 10.553611 11.90289 -9.1163 -6.907 -9.121 0.9178 -0.084 2.341 8.72634 -1.8628 4.1410332112 12.1827651712 0.434449211
+C      0.96394458      0.00942165      0.01353213
+C      2.41790879     -0.02274152      0.01107828
+C      3.63433005     -0.03615992     -0.00462716
+C      5.07157179     -0.07497211      0.00726805
+C      5.86125096     -0.71297695     -1.09503443
+N      5.79646384      0.75481667     -1.00298115
+H      0.59081079      1.00626077     -0.26572681
+H      0.56432425     -0.22994844      1.01028081
+H      0.54562910     -0.71755751     -0.69894010
+H      5.52031838     -0.13921332      1.00426235
+H      5.31896778     -1.13617821     -1.94274997
+H      6.78247829     -1.23227963     -0.81779972
+H      6.65560140      1.11039852     -0.56996228 
+
+19
+-1786.0438322560974 11.343945 12.83243 -9.2417 -6.9103 -10.628 0.9817 0.012 3.118 9.99037 -2.88693 8.765996179 11.3874817714 0.174878786
+C      0.95160474     -0.08808040      0.00929964
+C      2.48059881     -0.03686600      0.01633810
+C      3.03874835      1.38980156      0.00230089
+C      4.56832679      1.44706269      0.00466943
+C      5.12340378      2.87099658      0.00684204
+N      6.59469315      2.85782621     -0.04002628
+H      0.58277244     -1.12390572      0.02100405
+H      0.54122918      0.40194151     -0.88711324
+H      0.53194879      0.42550885      0.88810081
+H      2.87250534     -0.58731761     -0.85627501
+H      2.86338155     -0.56611938      0.90620016
+H      2.64628797      1.93979278      0.87675157
+H      2.65392298      1.91955907     -0.88790503
+H      4.97147386      0.91598730     -0.87362849
+H      4.95091011      0.91106828      0.89294392
+H      4.70606381      3.41810493      0.87849184
+H      4.76717101      3.39852480     -0.89406609
+H      6.96063371      2.44329555      0.82199524
+H      6.95167364      3.81582901     -0.06479353 
+
+9
+-1076.7532895088032 9.896451 10.07445 -9.9866 -7.8913 -9.416 -0.687 -2.3841 -0.631 9.02095 1.19659 4.0789038266 10.9691282102 0.581712521
+C      0.90193448      0.01334707      0.00000000
+C      2.25604738     -0.02159515      0.00000000
+C      3.01264993     -1.23069694      0.00000000
+C      3.67683189     -2.24749862      0.00000000
+C      3.00841530      1.20576663      0.00000000
+N      3.62161550      2.20012084      0.00000000
+H      0.37053952      0.96334790      0.00000000
+H      0.32865223     -0.91203257      0.00000000
+H      4.26068377     -3.14550917      0.00000000 
+
+11
+-1241.9971401538799 11.718214 10.90688 -9.3451 -7.4183 -9.004 -0.6968 -2.3464 -0.886 8.52156 1.37979 4.606327872 4.606327872 0.823660008
+C      1.32842130     -0.37654965     -0.75777932
+C      2.55248691     -0.15039144     -0.24091507
+C      3.21626218      1.13045287     -0.30682236
+C      4.44886724      1.36485738      0.21124935
+C      5.09211165      2.62638592      0.14126765
+N      5.64823328      3.65655079      0.09879095
+H      0.85380668     -1.35515590     -0.69175314
+H      0.77097117      0.41648765     -1.26079111
+H      3.08873808     -0.96394684      0.25828080
+H      2.68646329      1.94839159     -0.80402493
+H      5.00365821      0.56811762      0.71418717 
+
+11
+-1239.168096983239 10.451646 10.20306 -9.5185 -7.5361 -9.162 -0.3829 -2.061 -0.588 8.7044 1.19115 5.0183457486 5.0183457486 0.612655719
+C      2.83375096     -1.13154354      0.68162956
+C      2.25921356      0.03534309      0.34784171
+C      2.98551965      1.26016342     -0.00276642
+C      2.36759142      2.41841296     -0.33429312
+C      4.42228270      1.20967873      0.01181050
+N      5.58834958      1.13732042      0.03265067
+H      2.22777047     -2.00199565      0.93055516
+H      3.91900333     -1.24614895      0.71404812
+H      1.16963458      0.12493661      0.32228726
+H      1.27895535      2.47549344     -0.35066648
+H      2.93274841      3.31265947     -0.59015697 
+
+9
+-1083.3419675073878 11.403506 11.02258 -9.8049 -7.8183 -9.276 -0.77 -2.4756 -0.716 8.80686 1.14383 3.3809866326 10.757955255 1.399821819
+C      0.94384935     -0.04644800      0.00000000
+C      2.28906953      0.04326265      0.00000000
+C      2.99896189      1.26157009      0.00000000
+C      3.65418359      2.29671284      0.00000000
+C      4.36786574      3.45491255      0.00000000
+N      4.98372990      4.45654113      0.00000000
+H      0.45471387     -1.01973467      0.00000000
+H      0.31335524      0.84265736      0.00000000
+H      2.89824089     -0.86627395      0.00000000 
+
+13
+-1379.1151458000468 10.082881 11.01006 -10.1765 -7.9896 -9.919 1.2973 -0.431 0.94 9.38617 -0.39395 5.3815007426 6.6853747144 0.491279602
+C      1.81621750     -0.77429041     -1.16864702
+C      2.45418563     -0.23721795     -0.12345487
+C      3.18036659      1.07612253     -0.14726053
+C      4.68565553      0.90092123      0.17010125
+C      5.40450929      2.17071199      0.20009131
+N      5.95937711      3.19675149      0.21626844
+H      1.29965036     -1.73176933     -1.09153199
+H      1.78289550     -0.26822608     -2.13696578
+H      2.46312257     -0.77606615      0.83160899
+H      2.74703885      1.75965452      0.60122627
+H      3.06770954      1.55831701     -1.12930877
+H      5.15642428      0.24957533     -0.58244621
+H      4.81606726      0.40640583      1.14591891 
+
+9
+-1081.2465402496516 10.935339 10.54107 -9.7977 -7.7759 -9.262 -0.9133 -2.6062 -0.84 8.84046 1.30093 3.9200529634 11.431323221 0.395104466
+C      0.93066811     -0.04203094      0.00000000
+C      2.14682277      0.01427062      0.00000000
+C      3.55629088      0.02308622      0.00000000
+C      4.30446146      1.15638944      0.00000000
+C      5.72219045      1.13485940      0.00000000
+N      6.89306447      1.15191618      0.00000000
+H     -0.13994341     -0.08009524      0.00000000
+H      4.05897586     -0.94840623      0.00000000
+H      3.82855941      2.13902055      0.00000000 
+
+7
+-925.9164963899065 11.51867 10.78745 -10.2785 -8.2379 -9.501 -0.9088 -2.6598 -0.687 9.13926 1.10029 2.8857493528 6.8995853266 2.087814969
+C      0.98399445      0.00000000      0.00000000
+C      2.20541455      0.00000000      0.00000000
+C      3.55485680      0.00000000      0.00000000
+C      4.78354079      0.00000000      0.00000000
+C      6.13979522      0.00000000      0.00000000
+N      7.31650953      0.00000000      0.00000000
+H     -0.08711135      0.00000000      0.00000000 
+
+11
+-1222.2591801559875 9.56023 10.66623 -10.6829 -8.2676 -10.25 0.7753 -0.2975 1.254 11.50256 -0.94396 4.379371499 10.6330765558 0.830286455
+C      0.96665448      0.00225330     -0.00000359
+C      2.17960573     -0.02284480      0.00003545
+C      3.63521010     -0.02102140      0.00002135
+C      4.20670193      1.42082642     -0.00142452
+C      5.66553951      1.43073134     -0.00144165
+N      6.83173673      1.41363130     -0.00138310
+H     -0.10438909      0.01246321     -0.00001493
+H      4.01155398     -0.56178949     -0.88221496
+H      4.01157299     -0.56002651      0.88332758
+H      3.84686633      1.96753705      0.88266882
+H      3.84684732      1.96576957     -0.88660046 
+
+17
+-1644.304673788102 11.470715 12.53847 -9.1751 -6.9032 -9.038 0.9953 0.039 1.44 8.52909 -0.81863 6.3063247152 6.3063247152 0.409345653
+C      0.64919522      1.05383274      0.82098887
+C      2.14082492      1.04878758      0.96424628
+C      3.01161002      1.43522091      0.02139300
+C      4.50534517      1.42961927      0.16190893
+C      5.12177167      2.83177857      0.05434802
+N      6.59121053      2.75257942      0.07428217
+H      0.23297137      0.04165903      0.95208435
+H      0.33951243      1.42437079     -0.16638340
+H      0.17492774      1.68657574      1.58865212
+H      2.53675511      0.68917021      1.92295047
+H      2.61754912      1.79614303     -0.93849058
+H      4.96239976      0.80491436     -0.62521699
+H      4.78567413      0.97819911      1.12954269
+H      4.68824390      3.47089760      0.84991023
+H      4.82566101      3.28100529     -0.90834884
+H      6.90566135      2.42578789      0.99251735
+H      6.99019656      3.68711846     -0.04177469 
+
+17
+-1645.9028874991513 11.342592 12.06346 -8.8977 -6.7187 -8.738 0.9215 -0.0739 1.512 8.17945 -0.83747 6.0876382084 6.0876382084 0.388469699
+C      0.87848570     -0.17149603      0.18403792
+C      2.36541540      0.01771015      0.17317822
+C      3.05742789      1.15821784     -0.01447641
+C      2.45009167      2.51147891     -0.26867298
+C      4.57105637      1.12916141      0.02460496
+N      5.14196618      1.53462859     -1.27595911
+H      0.56820054     -0.88884825     -0.59332316
+H      0.32537314      0.76181243      0.01996066
+H      0.54455568     -0.59415878      1.14575403
+H      2.95033388     -0.89392350      0.34851948
+H      1.36962541      2.47246516     -0.45188874
+H      2.94044954      2.98136699     -1.13375147
+H      2.62381229      3.17845269      0.59339267
+H      4.90142731      0.13037815      0.37188125
+H      4.92619620      1.86281628      0.77048006
+H      4.95737817      0.80290654     -1.96769226
+H      6.15827464      1.61430142     -1.19974514 
+
+13
+-1384.32357748624 10.310798 10.90826 -9.6381 -7.568 -9.391 0.4074 -1.2933 -0.045 8.90068 0.55964 5.012258036 5.172509941 0.272815629
+C      0.98099301     -0.22843385      0.00037781
+C      2.47141319     -0.05568790      0.00031992
+C      3.12264141      1.13052647      0.00050806
+C      2.46479115      2.48811793      0.00156666
+C      4.55466770      1.13028958      0.00055026
+N      5.72427008      1.17605795      0.00045630
+H      0.71038516     -1.29073779     -0.01768989
+H      0.51401989      0.25014381     -0.87438895
+H      0.51909630      0.21768682      0.89503051
+H      3.08117611     -0.96223393      0.00102702
+H      1.37239158      2.40220542     -0.00074805
+H      2.77237547      3.06898705     -0.88033741
+H      2.76831894      3.06496843      0.88755777 
+
+17
+-1645.2458165743308 11.336578 12.15571 -9.0685 -6.8655 -9.067 0.9569 -0.106 1.448 8.55698 -0.81588 6.3278486848 6.3278486848 0.385405737
+C      0.87821387      1.04162854     -1.23167482
+C      2.36612723      0.86415872     -1.18470664
+C      3.16085260      1.35125262     -0.22196035
+C      4.65995878      1.20855938     -0.11831059
+C      5.31226326      0.47074199     -1.29359929
+N      5.22008236      2.55213562      0.14881417
+H      0.56748655      1.55484044     -2.15620109
+H      0.51429204      1.62737518     -0.37604709
+H      0.36033436      0.06883767     -1.22679412
+H      2.80674126      0.28733917     -2.00547136
+H      2.71683248      1.93476882      0.59325823
+H      4.85964812      0.62133980      0.79944007
+H      5.13813081      1.00476869     -2.24074763
+H      4.92555330     -0.55439182     -1.40004101
+H      6.39893551      0.40180588     -1.13906513
+H      5.07301445      3.14297462     -0.67584314
+H      6.23375302      2.48032467      0.27322978 
+
+13
+-1381.3980974611163 10.121452 11.16063 -9.9164 -7.7456 -9.546 1.2731 -0.3412 0.781 9.03158 -0.2543 5.3602371436 12.0477568158 0.404181304
+C      0.80065426      0.01418644      0.09757824
+C      2.29112094      0.01761034      0.22963403
+C      3.10565946      0.95239028     -0.27314584
+C      4.60737199      0.93606782     -0.10458588
+C      5.32137143      0.94408226     -1.38387262
+N      5.88251051      0.95657639     -2.40641374
+H      0.45652367     -0.90086931     -0.40985086
+H      0.43965970      0.88025258     -0.47314799
+H      0.31562813      0.02469602      1.08635917
+H      2.73256333     -0.82026209      0.78325678
+H      2.69499356      1.79425627     -0.83939522
+H      4.92437854      0.04893469      0.46530792
+H      4.94353445      1.82011830      0.46458601 
+
+17
+-1643.9305435691308 11.222571 12.01031 -9.295 -7.0057 -9.164 0.9118 -0.0399 1.432 8.55191 -0.8052 6.3983471244 6.3983471244 0.41177968
+C      3.69158381     -1.69533319      1.22014810
+C      3.24074469     -0.89281432      0.02662005
+C      2.61337071     -1.46622379     -1.01235354
+C      3.51490672      0.59322609      0.06184569
+C      5.00613715      0.96101467      0.01644313
+N      5.16568502      2.42170767      0.08988247
+H      4.78596710     -1.66196479      1.34175125
+H      3.39380130     -2.74844264      1.13259094
+H      3.26058136     -1.28851892      2.14961978
+H      2.40742977     -2.53849175     -1.03461108
+H      2.28088280     -0.87818109     -1.87049402
+H      3.08950522      1.03301206      0.98108873
+H      3.00514797      1.07541649     -0.78888670
+H      5.45720215      0.49731186     -0.88458349
+H      5.52161072      0.53052230      0.88964992
+H      4.78255209      2.85256705     -0.75637917
+H      6.15908143      2.66282228      0.10465795 
+
+13
+-1381.584491156668 9.888132 10.6411 -9.9827 -7.8404 -9.677 1.0115 -0.5332 0.793 9.06795 -0.26878 5.3626672692 6.3794640566 0.392123807
+C      0.93741709      0.13873737      0.19402019
+C      2.40496079     -0.13623283      0.03242798
+C      2.92143527     -1.36687689     -0.07739385
+C      3.31515657      1.08328081     -0.03017249
+C      3.22433080      1.93007184      1.16028935
+N      3.14323789      2.59763892      2.11334415
+H      0.74155187      0.69490029      1.12413834
+H      0.35826088     -0.79234433      0.21694299
+H      0.55957178      0.76288926     -0.63227999
+H      2.28016637     -2.24952042     -0.06082696
+H      3.99440783     -1.53298786     -0.18690196
+H      3.04827730      1.70807418     -0.90065926
+H      4.36337555      0.77722968     -0.16054848 
+
+13
+-1378.4117122584198 9.780306 10.51729 -10.2312 -8.0384 -9.976 1.1442 -0.4234 0.931 9.44593 -0.35821 5.3593940388 6.6915492172 0.416185508
+C      0.98521798     -0.04267538      0.29104258
+C      2.49896550     -0.01992040     -0.02613087
+C      2.81577345     -0.78859158     -1.29407504
+C      3.41894480     -0.30401023     -2.38199286
+C      2.99600823      1.35796999     -0.07320237
+N      3.37843253      2.45897794     -0.11468256
+H      0.77766172      0.46259060      1.24259465
+H      0.64116316     -1.08287446      0.36428920
+H      0.42019100      0.45700970     -0.50604552
+H      3.02816892     -0.51273362      0.81089645
+H      2.48823515     -1.83261279     -1.26577026
+H      3.75722806      0.73287161     -2.43733063
+H      3.59421950     -0.93777138     -3.25144276 
+
+19
+-1785.926401041159 11.24476 12.43453 -9.2274 -6.9118 -10.618 0.938 -0.0189 3.056 9.97651 -2.77117 8.749010097 10.8507835732 0.114670194
+C      0.81422408     -0.48089149      0.21629728
+C      2.31520734     -0.36326607     -0.08190260
+C      2.76787219     -1.49360162     -1.01483036
+C      2.68994596      1.00422668     -0.67828025
+C      2.44705531      2.20409270      0.23794589
+N      2.87682422      3.44568068     -0.42530642
+H      0.47651861      0.26129427      0.95342911
+H      0.57016575     -1.47681760      0.61528959
+H      0.22284202     -0.33549000     -0.70265474
+H      2.86120203     -0.47568558      0.87407056
+H      2.25015580     -1.42998108     -1.98569260
+H      2.54653401     -2.48115437     -0.58323673
+H      3.84970114     -1.44442284     -1.20989725
+H      2.13983274      1.16373639     -1.62216684
+H      3.76225028      0.98592264     -0.94680909
+H      2.94614217      2.01798273      1.21304099
+H      1.37036914      2.30357920      0.44890338
+H      3.89063365      3.42611471     -0.56815575
+H      2.69145357      4.24887064      0.17953582 
+
+17
+-1645.73810976807 11.456952 12.17609 -8.9012 -6.6909 -8.73 0.9048 -0.1081 1.497 8.17908 -0.82442 6.0754751818 6.0754751818 0.384675016
+C      0.98019815      0.02915381      0.05508229
+C      2.47712917     -0.14812078      0.04133275
+C      2.93806899     -1.56911525      0.23821052
+C      3.29134196      0.91281145     -0.12336311
+C      4.79127699      0.93813019     -0.15554642
+N      5.25788604      1.63983128     -1.36906630
+H      0.69194738      1.07814991     -0.09354661
+H      0.55084441     -0.31357135      1.01157451
+H      0.50408463     -0.57663674     -0.73403283
+H      2.44134427     -2.23802768     -0.48391914
+H      2.65603850     -1.93247844      1.24075151
+H      4.02228033     -1.69336282      0.13076388
+H      2.83005109      1.89659528     -0.26696222
+H      5.20553420     -0.08075443     -0.03579878
+H      5.15339296      1.52451236      0.70853008
+H      5.00005299      1.09395733     -2.19563642
+H      6.27920793      1.69761586     -1.36519372 
+
+13
+-1388.2495299790548 10.424896 10.82476 -9.6294 -7.5994 -9.377 0.3675 -1.3135 -0.025 8.82821 0.58719 4.9629488038 5.1077396546 0.285163438
+C      0.90249902      0.07396206     -0.13354882
+C      2.39586970     -0.00056464     -0.01675437
+C      3.00373975     -1.37038388     -0.03180024
+C      3.13578362      1.12879659      0.09644794
+C      4.55252198      1.13694251      0.21168297
+N      5.71928742      1.17328520      0.30785029
+H      0.53423281      1.10718883     -0.12062088
+H      0.42399658     -0.47870335      0.69094396
+H      0.56476435     -0.40663943     -1.06571939
+H      2.59868873     -1.97611428      0.79456098
+H      4.09625298     -1.34424380      0.05432133
+H      2.73650352     -1.89564102     -0.96258435
+H      2.65355954      2.10913522      0.10334057 
+
+19
+-1786.886104998709 11.130967 12.03628 -9.1732 -6.9187 -10.556 0.8746 -0.0922 2.922 9.90905 -2.59299 8.6187876012 10.8450058256 0.124438599
+C      1.00150771      0.01723580     -0.00434658
+C      2.53721833     -0.05051845      0.00947166
+C      3.00478240     -0.79753921      1.27133686
+C      3.03808057     -0.78624899     -1.24402723
+C      3.07904746      1.39982269      0.02445348
+N      4.54861613      1.46394705      0.07214404
+H      0.63585746      0.55908000     -0.89088053
+H      0.61391233      0.53066714      0.88979851
+H      0.56570308     -0.99315862     -0.02701617
+H      2.68708491     -0.27335234      2.18732982
+H      4.09994727     -0.90217668      1.29150040
+H      2.57800245     -1.81168433      1.30250306
+H      2.65261856     -0.30975327     -2.15920952
+H      2.70235050     -1.83460132     -1.24317220
+H      4.13562771     -0.76664346     -1.28851331
+H      2.58641603      1.94055579      0.85992058
+H      2.75568198      1.89583735     -0.90604215
+H      4.87807055      1.29996598      1.02618216
+H      4.86206456      2.40390486     -0.17575288 
+
+15
+-1525.3931388975825 9.902897 10.9295 -11.4141 -9.1101 -11.664 0.7513 -0.2216 1.561 11.12392 -1.14085 5.3634607796 13.0646775892 0.463538994
+C      0.96655749     -0.00048268     -0.01770229
+C      2.51108646     -0.02521055      0.00007779
+C      3.02244142     -0.72813452      1.27718585
+C      3.05153705     -0.73891835     -1.25887493
+C      3.00286584      1.36389032     -0.00012514
+N      3.39236273      2.46405246     -0.00021620
+H      0.59031565      0.50935802     -0.91459575
+H      0.56993736      0.51652289      0.86621309
+H      0.58731986     -1.03246189     -0.01789389
+H      2.65665387     -0.22125655      2.18006603
+H      4.12008587     -0.74074534      1.30814199
+H      2.66100365     -1.76642474      1.28912165
+H      2.70542395     -0.24070383     -2.17423893
+H      2.69161719     -1.77774122     -1.26949471
+H      4.14960161     -0.75039400     -1.26526457 
+
+19
+-1786.9146054246482 11.162824 12.13059 -9.0841 -6.9172 -10.47 0.9264 -0.019 3.005 9.80463 -2.70599 8.4576181998 11.1886082274 0.126541363
+C      0.97704310     -0.09721599      0.02675511
+C      2.50813868     -0.00670496     -0.02489033
+C      3.03936936     -0.76312547     -1.24970605
+C      3.01928206      1.45415672      0.00264664
+C      2.43728269      2.27469209      1.16504661
+N      4.49730422      1.44789938     -0.00968616
+H      0.55756390      0.30777719      0.95760562
+H      0.65364523     -1.14555641     -0.05317962
+H      0.52477424      0.45060642     -0.81691530
+H      2.90879151     -0.49936897      0.88453402
+H      2.60974934     -0.34657444     -2.17552574
+H      2.75801303     -1.82554280     -1.20283723
+H      4.13090644     -0.68550286     -1.32164842
+H      2.70511300      1.92720891     -0.94776472
+H      2.67049826      1.79765887      2.13206945
+H      1.34578350      2.39298789      1.09996867
+H      2.87775396      3.28311298      1.17557636
+H      4.83419734      1.09095989      0.89150992
+H      4.83874014      2.41106155     -0.06726883 
+
+15
+-1525.6992940920675 9.962043 11.06737 -11.4866 -9.1034 -11.802 0.7493 -0.2607 1.47 11.31959 -1.09272 5.3746567154 12.7345152698 0.154673476
+C      0.88043055      0.13108165      0.32243815
+C      2.37892926      0.00979276      0.03040107
+C      2.64104084     -0.71970272     -1.29000157
+C      3.02125257      1.41963797      0.03645353
+C      4.47291842      1.39736240     -0.11504999
+N      5.63297950      1.35711496     -0.23296653
+H      0.69127007      0.62463379      1.28709383
+H      0.41101981     -0.86218205      0.35526949
+H      0.37160716      0.71331375     -0.46240687
+H      2.85008625     -0.56455741      0.84635645
+H      2.17506145     -0.18425866     -2.13278330
+H      2.21615177     -1.73311816     -1.26253475
+H      3.71670320     -0.80893918     -1.49662620
+H      2.78455174      1.94085700      0.97791906
+H      2.59783741      2.02839390     -0.78064238 
+
+11
+-1218.027309366623 9.3718 10.40584 -10.7793 -8.4142 -10.304 0.8166 -0.3862 1.12 9.88775 -0.80962 4.3808717296 10.9371894166 0.466536362
+C      0.95322974     -0.02121073      0.03492115
+C      2.50079582     -0.02174319     -0.01282613
+C      3.02185198     -0.78063518     -1.15363790
+C      3.42642844     -1.42683386     -2.09517951
+C      3.02015551      1.35746433     -0.01571414
+N      3.40323240      2.45809115      0.00919096
+H      0.60463232      0.53087145      0.91624339
+H      0.59276930     -1.05525992      0.08872579
+H      0.54586097      0.45060085     -0.86695132
+H      2.88039420     -0.49121024      0.91329490
+H      3.79120932     -1.99381466     -2.92744718 
+
+15
+-1492.038280083794 11.078146 12.66708 -9.3151 -6.9982 -9.227 0.903 -0.0543 2.499 8.82665 -2.03551 4.1496502382 12.9593142864 0.742476231
+C      0.95581514     -0.01566847     -0.00943354
+C      2.41177942     -0.00207938     -0.00290913
+C      3.62816447     -0.00504436      0.00170930
+C      5.08588469      0.02505225      0.00956201
+C      5.66038072      1.45315466      0.04145718
+N      7.12853342      1.39989931      0.01885331
+H      0.54755388      1.00631170     -0.00005976
+H      0.55776261     -0.54126854      0.87178808
+H      0.56526552     -0.52195341     -0.90515411
+H      5.48854677     -0.49255163     -0.87680530
+H      5.46001953     -0.53287328      0.88697381
+H      5.23070671      1.98750362      0.91127816
+H      5.32364941      1.98703169     -0.86013809
+H      7.47903915      1.05318529      0.91606024
+H      7.50938857      2.34193055     -0.08920214 
+
+15
+-1491.2209310128676 11.053969 12.39658 -9.1961 -6.9555 -9.155 0.852 -0.1103 2.486 8.74231 -2.02885 4.1576969296 10.244777201 0.83204589
+C      0.97203537     -0.00995454     -0.00399465
+C      2.42743094      0.00156938     -0.01344028
+C      3.64313468      0.01763190      0.00052215
+C      5.10885847      0.02239825     -0.02876417
+C      5.63106369     -0.77783478     -1.24085306
+N      5.60259834      1.41460985      0.05447174
+H      0.56980713      1.01405017      0.01652216
+H      0.58532044     -0.53710285      0.88112973
+H      0.56797485     -0.51088128     -0.89653564
+H      5.46218230     -0.48401319      0.88895090
+H      5.29313872     -0.31454312     -2.17933675
+H      5.26663955     -1.81524817     -1.21868320
+H      6.73117422     -0.79713857     -1.23470386
+H      5.24131396      1.94175884     -0.74638194
+H      6.62250733      1.40847810     -0.03887316 
+
+11
+-1225.3455223045123 9.669432 11.24336 -10.1833 -7.8656 -9.736 0.6987 -0.3045 1.214 9.31691 -0.89243 4.1761088506 9.9535588842 0.698250925
+C      0.94713703     -0.02456758      0.00006869
+C      2.40088097     -0.00831616      0.00001013
+C      3.61426919      0.01008309      0.00000500
+C      5.07565810      0.02568064     -0.00004390
+C      5.64268962      1.38103422      0.00012107
+N      6.11290379      2.44737685      0.00024261
+H      0.54609106      0.99934349      0.01150302
+H      0.55689681     -0.54961692      0.88396799
+H      0.55655420     -0.52991541     -0.89508618
+H      5.46960909     -0.50540724     -0.88327327
+H      5.46968014     -0.50565498      0.88300485 
+
+17
+-1643.977797220865 11.543755 12.50662 -9.1824 -6.923 -9.058 1.0298 -0.0948 1.449 8.53613 -0.81818 6.3304399922 6.3304399922 0.40080718
+C      1.67641923     -0.48661563     -1.14295476
+C      2.67417337     -0.17646052     -0.01671079
+C      3.04674137      1.27595442      0.05359399
+C      4.28521890      1.77108650     -0.07726427
+C      4.63054049      3.23016825     -0.00971353
+N      5.63978322      3.46995770      1.03833822
+H      1.40010577     -1.55087077     -1.14326203
+H      2.10524474     -0.24376958     -2.12590722
+H      0.75210472      0.09957593     -1.02789500
+H      3.58454269     -0.78431066     -0.14163832
+H      2.22390084     -0.47905894      0.94575530
+H      2.21686300      1.97864458      0.21221771
+H      5.13267274      1.09047360     -0.22367162
+H      3.69713224      3.81824928      0.10510811
+H      5.08497782      3.53839155     -0.96800876
+H      5.22528344      3.28622307      1.95589347
+H      5.91949540      4.45349121      1.03503949 
+
+13
+-1382.9968406374487 10.580753 11.21013 -9.9707 -7.891 -9.686 0.2208 -1.5035 -0.131 9.19982 0.63864 5.0191516576 10.7727467848 0.351473441
+C      0.85351037     -0.24547752     -0.11395202
+C      2.35664520     -0.03285646      0.13012392
+C      2.74379891      1.41001399      0.09426257
+C      3.33132735      2.07043535      1.11172580
+C      3.68341074      3.44772073      1.04733664
+N      3.98387553      4.57871928      1.02510323
+H      0.61117582     -1.31688927     -0.12266109
+H      0.54304014      0.17807418     -1.08021467
+H      0.25510869      0.23549568      0.67231212
+H      2.92246841     -0.56351448     -0.65640381
+H      2.65645903     -0.47837324      1.09135802
+H      2.51802822      1.96003862     -0.82574163
+H      3.56829160      1.55811315      2.04899092 
+
+17
+-1643.3623398248897 11.160567 11.83036 -9.344 -7.08 -9.185 0.9782 -0.1058 1.454 8.55505 -0.81903 6.430471897 6.430471897 0.407594283
+C      2.52316362     -0.48368621     -1.29154293
+C      2.28381996      0.23278175      0.04703427
+C      2.78490612      1.65837716      0.07178991
+C      1.95562316      2.70550986      0.20436940
+C      4.27807349      1.87446245     -0.06240000
+N      5.01791531      1.12929824      0.97405970
+H      2.09754251     -1.49699937     -1.26693110
+H      3.59593254     -0.58425860     -1.50987285
+H      2.05373765      0.06173582     -2.12380136
+H      2.79750382     -0.33056058      0.84293871
+H      1.20843634      0.22969795      0.28203191
+H      0.87482285      2.57053269      0.28775944
+H      2.33201393      3.73107368      0.22722566
+H      4.47745890      2.96365962     -0.07128283
+H      4.61234932      1.48447636     -1.03943894
+H      4.83699245      1.55210094      1.88875528
+H      6.02313801      1.21459825      0.80982572 
+
+13
+-1381.7711569177086 10.078268 10.64745 -10.0717 -8.019 -9.843 0.2343 -1.545 -0.135 9.32233 0.58708 5.047036109 6.4988377774 0.343227768
+C      0.97297896     -0.19294104      0.21528358
+C      2.44094530      0.07314857     -0.14269076
+C      2.80693859      1.54210316     -0.10706815
+C      3.21969133      2.24813029     -1.17658113
+C      2.68504115      2.19370249      1.16606235
+N      2.57349610      2.68056672      2.22375154
+H      0.76336066     -1.27093346      0.19341730
+H      0.29785127      0.30296015     -0.49619007
+H      0.73606070      0.17691968      1.22269015
+H      2.66815225     -0.30934102     -1.14866265
+H      3.09329759     -0.46693756      0.56312713
+H      3.31727716      1.76655498     -2.15034489
+H      3.46807893      3.30619703     -1.10239440 
+
+19
+-1785.208096441571 11.099953 12.154 -9.1802 -6.8987 -10.582 0.8982 -0.0775 3.088 9.93969 -2.78561 8.693030418 10.9144999786 0.123258227
+C      3.49085012     -1.04203522     -0.22272452
+C      2.96904039     -0.02656224      0.79605883
+C      3.22884326      1.44570910      0.42790052
+C      2.51481871      2.38613440      1.40889358
+C      4.72752658      1.78700175      0.31703352
+N      5.44901282      1.54478106      1.57783380
+H      3.18717949     -2.06319672      0.04951706
+H      4.58902561     -1.03493439     -0.27933647
+H      3.09919020     -0.83738460     -1.23205588
+H      3.42429792     -0.22577475      1.77957390
+H      1.88070710     -0.16133121      0.91692423
+H      2.80329545      1.62399820     -0.57817938
+H      2.85973610      2.22311878      2.44227715
+H      1.42872999      2.21193756      1.40104509
+H      2.68671906      3.44311610      1.15225328
+H      4.81426005      2.83054070     -0.05189481
+H      5.18639770      1.14726378     -0.45287181
+H      5.21649753      2.26932919      2.26129152
+H      6.45556193      1.61904851      1.42007040 
+
+19
+-1788.33709554477 11.134346 12.02634 -9.1021 -6.9391 -10.509 0.869 -0.0877 2.95 9.82072 -2.62955 8.381329614 10.5903137844 0.127054673
+C      0.94903826     -0.12061361      0.01001517
+C      2.46902129      0.04987019      0.01279971
+C      3.00653813      1.50098342     -0.00123650
+C      2.57425538      2.23903123     -1.27680226
+C      2.52908776      2.27824421      1.24180737
+N      4.48410483      1.38301382     -0.05439878
+H      0.68652671     -1.18822984      0.01816381
+H      0.48753846      0.31958086     -0.88591212
+H      0.47713181      0.33668018      0.89192086
+H      2.90603330     -0.46484857     -0.85780709
+H      2.88373105     -0.45215786      0.90569859
+H      2.90179355      1.68596614     -2.16833444
+H      3.02922762      3.24145985     -1.31317071
+H      1.48455518      2.37187521     -1.31984861
+H      2.83387633      1.76159363      2.16565809
+H      1.43501956      2.39805527      1.26667909
+H      2.97177761      3.28621618      1.25621566
+H      4.81613284      0.91680304      0.79598134
+H      4.89851032      2.32011664     -0.03847919 
+
+15
+-1524.3407181536488 9.948539 11.11987 -11.4446 -9.0611 -11.713 0.7642 -0.2518 1.512 11.20839 -1.10728 5.3715942612 10.9827914674 0.293528421
+C      0.97719890     -0.13351192     -0.08683358
+C      2.49377362     -0.02390536      0.06855565
+C      3.01756078      1.43346647      0.01791671
+C      2.50810894      2.31812559      1.17143327
+C      4.48393720      1.43104411     -0.00521348
+N      5.65082708      1.41805149     -0.01088436
+H      0.67320305     -1.18904639     -0.11001659
+H      0.63550599      0.33023466     -1.02485604
+H      0.43736134      0.34338592      0.74303309
+H      2.98931682     -0.59480002     -0.73110561
+H      2.81511374     -0.47731948      1.02000205
+H      2.69324059      1.88161670     -0.93882887
+H      2.79666882      1.89211773      2.14253783
+H      1.41441400      2.39856412      1.13555801
+H      2.92755913      3.32988637      1.10316192 
+
+15
+-1489.168940245338 11.08182 12.51383 -9.2291 -6.8932 -9.17 0.9201 -0.0942 2.472 8.76912 -2.02556 4.162457992 10.2931069438 0.73329998
+C      0.97335400     -0.09181435      0.00273844
+C      2.51053802     -0.02218345     -0.00354069
+C      3.01857927      1.34599808     -0.00796400
+C      3.40970394      2.49773799      0.00662410
+C      3.88878241      3.87697588     -0.01321465
+N      2.76961038      4.83882562     -0.10457496
+H      0.63725956     -1.13801862      0.01281230
+H      0.55736433      0.39736013     -0.88842703
+H      0.56474567      0.41416684      0.88761717
+H      2.90253483     -0.56097740     -0.88292649
+H      2.90779978     -0.55121683      0.87936528
+H      4.63427912      3.97173840     -0.83001556
+H      4.43083117      4.08335411      0.92578288
+H      2.23209941      4.64245330     -0.95324227
+H      3.15172810      5.78168030     -0.21538453 
+
+11
+-1227.8398315050813 10.584156 11.34465 -10.421 -8.2239 -9.956 0.4868 -1.3181 0.175 9.54014 0.16447 3.5895930776 7.8406018708 1.124047444
+C      0.98249433     -0.04966879      0.00364672
+C      2.52086902      0.02850188      0.00014622
+C      3.02453713      1.38841988      0.00004204
+C      3.42789655      2.54075800     -0.00003744
+C      3.87984226      3.82725790     -0.00014086
+N      4.26781760      4.93625874     -0.00021220
+H      0.66432365     -1.10020137      0.00396836
+H      0.56432379      0.44078732     -0.88450637
+H      0.56841282      0.44008663      0.89410014
+H      2.92549366     -0.49400315     -0.88289720
+H      2.92956918     -0.49536704      0.88050058 
+
+19
+-1787.6971801018935 11.286197 12.49567 -9.1244 -6.9197 -10.497 0.9083 -0.0412 3.098 9.83634 -2.84125 8.5367708622 11.382038786 0.159101811
+C      1.14760800     -0.31569271      0.01534892
+C      2.67592662     -0.29358551     -0.04010041
+C      3.25495722      1.12196730      0.02514446
+C      4.78959755      1.18415033      0.02490411
+C      5.28563654      2.62782084     -0.14205149
+N      5.30846351      0.50608648      1.22974819
+H      0.75792835     -1.34229287     -0.04407933
+H      0.70563603      0.25674069     -0.81550272
+H      0.77690932      0.12621512      0.95353691
+H      3.01857003     -0.77706049     -0.97177131
+H      3.09743541     -0.88753018      0.78513717
+H      2.88409588      1.63180154      0.93557762
+H      2.87763945      1.71448264     -0.82637613
+H      5.15016130      0.59322170     -0.83740605
+H      4.92869911      3.25904410      0.68823462
+H      4.92536167      3.07399357     -1.08255778
+H      6.38534190      2.66960984     -0.14876244
+H      5.05415787      1.05714666      2.05705223
+H      6.33166425      0.49935096      1.20475344 
+
+15
+-1524.8350681698325 10.08984 11.47187 -11.5225 -9.1313 -11.805 0.7728 -0.2438 1.471 11.37241 -1.104 5.3830877634 12.094710314 0.256459403
+C      1.13091458     -0.35831857      0.03778657
+C      2.65101487     -0.18826540      0.04873999
+C      3.08158536      1.27601525     -0.06369088
+C      4.61479445      1.43409822     -0.04970390
+C      5.04378456      2.82537319     -0.15318561
+N      5.36551948      3.94348853     -0.23865317
+H      0.84804305     -1.41691328      0.12108274
+H      0.69298932      0.03239382     -0.89300620
+H      0.66384368      0.17950872      0.87646290
+H      3.09361527     -0.76404557     -0.78223762
+H      3.06470933     -0.62025268      0.97620538
+H      2.65351572      1.85945708      0.76683446
+H      2.68428906      1.71572248     -0.99227132
+H      5.06576908      0.87243076     -0.88389866
+H      5.03492219      1.01272746      0.87804530 
+
+19
+-1779.9368413491218 11.42702 12.86306 -8.6312 -6.4513 -10.057 0.9943 0.0555 3.202 9.34381 -2.95431 8.1741738052 11.4174739848 0.26174699
+C      0.95956120     -0.11389207      0.01007409
+C      2.48819178     -0.05439158      0.01231652
+C      3.03476091      1.37581942      0.01081667
+C      4.56087771      1.43789867      0.01541924
+N      5.04575869      2.81729448     -0.02742207
+C      6.50193022      2.90675499      0.03289851
+H      0.59749924     -1.15209408      0.01109043
+H      0.54360284      0.38440489     -0.87894048
+H      0.54037149      0.38676993      0.89640522
+H      2.87801977     -0.59140091     -0.86965072
+H      2.87641132     -0.59346026      0.89363652
+H      2.64684167      1.91270575      0.89637825
+H      2.66140516      1.92244839     -0.87119875
+H      4.95141279      0.91971390     -0.87892076
+H      4.95228661      0.87487358      0.89450796
+H      4.64494940      3.33148286      0.76152137
+H      6.93237065      2.47448334     -0.88408126
+H      6.95746506      2.37641425      0.89698113
+H      6.80652350      3.96186445      0.07538811 
+
+19
+-1780.531729478822 11.283712 12.34019 -8.5616 -6.4678 -10.036 0.9476 0.0306 3.196 9.29905 -2.90891 8.0993110584 11.715375147 0.134688131
+C      3.25851674     -1.14250663     -0.05620845
+C      2.43518384     -0.12735381      0.74133796
+C      2.89661779      1.33148301      0.60816384
+C      1.92501730      2.26768602      1.33233543
+N      4.25486425      1.48046122      1.15389124
+C      4.89867413      2.75138425      0.82129249
+H      2.80950654     -2.14425439      0.00603827
+H      4.28925570     -1.23824655      0.31845754
+H      3.30999229     -0.86728260     -1.12137667
+H      2.44056982     -0.39603393      1.81146311
+H      1.38599626     -0.17729955      0.40797053
+H      2.87900790      1.59495690     -0.47820341
+H      1.91166647      2.03970852      2.40899569
+H      0.90741502      2.14814329      0.93341098
+H      2.20432377      3.32317298      1.21022545
+H      4.83285055      0.72480352      0.78129919
+H      4.44852040      3.57391479      1.39642296
+H      4.83578531      3.01933933     -0.25585067
+H      5.95985593      2.70280364      1.10194451 
+
+14
+-1374.0853867718672 12.409398 11.57999 -7.933 -5.9914 -8.402 0.7633 -0.7968 -0.109 7.97494 0.64078 4.65195472 4.65195472 0.566518581
+C      0.93798875     -0.00523784     -0.07773763
+C      2.42328844      0.01354877      0.08956147
+C      3.19146182      1.12378158      0.06378091
+C      4.62597468      1.11697772      0.22851176
+N      5.30542426      2.21966598      0.18424208
+N      6.65068812      2.14618174      0.42591771
+H      0.63941221     -0.62581630     -0.93889136
+H      0.53454461      1.00557993     -0.22821619
+H      0.44279046     -0.44432502      0.80419401
+H      2.91110451     -0.95621692      0.24758584
+H      2.73473337      2.10734014     -0.08924163
+H      5.12494522      0.14283027      0.39507415
+H      7.13837112      2.92323470     -0.01445568
+H      7.09462242      1.24063525      0.22603456 
+
+14
+-1399.572177249373 10.872359 11.00656 -8.849 -6.9067 -9.284 0.6589 -0.9601 0.028 8.65294 0.43733 4.5860065666 5.4867772552 0.552866587
+C      0.87554498      0.08301398     -0.05969043
+C      2.35768813      0.05702022     -0.25383633
+C      3.21851393      0.93848841      0.28553686
+C      4.68296100      0.95494403      0.08355153
+N      5.25463520     -0.20378020     -0.43542437
+N      5.44150380      1.98250034      0.29825939
+H      0.51914517     -0.86143918      0.38244799
+H      0.35461999      0.18756323     -1.02497047
+H      0.56327986      0.90914409      0.59337942
+H      2.74865931     -0.72791081     -0.91076652
+H      2.83152082      1.75126022      0.90901116
+H      4.87242624     -1.07924898     -0.08697901
+H      6.27259758     -0.16920664     -0.41702780
+H      4.86780400      2.78345128      0.58795857 
+
+14
+-1369.8681980828055 11.457505 11.01223 -8.0622 -6.0908 -8.612 0.5287 -1.0579 -0.059 8.14493 0.55856 4.6027446766 6.4525166078 0.268858374
+C      1.06285236      0.09563793      0.16184590
+C      2.54748220     -0.09788421     -0.02796547
+C      3.12577352     -1.31443723      0.03454648
+C      3.30616002      1.13266244     -0.29199374
+N      4.59693747      1.16495573     -0.33751334
+N      5.19859179      2.33843451     -0.68451328
+H      0.85346308      0.76346932      1.01289948
+H      0.55769319     -0.86094939      0.34435685
+H      0.60684772      0.56019151     -0.72732187
+H      2.53390828     -2.20630469      0.24232588
+H      4.19855267     -1.43146973     -0.11967507
+H      2.71741829      2.05623908     -0.45425492
+H      6.13983636      2.39488102     -0.30197480
+H      4.65045305      3.19391371     -0.52428209 
+
+14
+-1396.3597180238312 10.296583 10.51902 -8.8277 -6.8541 -9.419 0.7846 -0.8439 0.268 8.81841 0.14127 4.6284469744 12.3076686676 0.244347023
+C      0.98381753      0.03039643     -0.07175731
+C      2.49148916     -0.01945692     -0.07765398
+C      3.16206826     -1.18286673     -0.07438708
+C      3.24485939      1.28354985     -0.08663131
+N      2.69370462      2.29060550      0.69106008
+N      4.34910398      1.51595156     -0.71481336
+H      0.59890912      0.68605854     -0.86794503
+H      0.59381462      0.41130211      0.88682556
+H      0.56008767     -0.97172744     -0.21544086
+H      2.63463352     -2.13786161     -0.09761817
+H      4.25177964     -1.21403179     -0.03363772
+H      1.69925580      2.26708243      0.88317157
+H      3.08385626      3.21353090      0.51666036
+H      4.64190043      0.67465717     -1.22227275 
+
+14
+-1369.911500783983 10.857143 10.68772 -8.1919 -6.2974 -8.72 0.5742 -1.0892 0.023 8.24735 0.43853 4.5139459034 6.436609204 0.402265062
+C      1.04991506      0.02251005      0.03528533
+C      2.55730166      0.04099650      0.08511743
+C      3.23311552     -1.26220109      0.05462250
+C      4.41846778     -1.61405449      0.59633986
+N      3.11759667      1.21840854      0.09064598
+N      4.47790880      1.33468511      0.17316007
+H      0.66702673      1.04933970      0.01187359
+H      0.62766933     -0.49325889      0.91222038
+H      0.68905474     -0.51279768     -0.85775036
+H      2.66880847     -2.04340555     -0.46999949
+H      5.01171330     -0.93997161      1.21463451
+H      4.78658872     -2.63573803      0.49329188
+H      4.76511499      2.21717857     -0.24690072
+H      5.02095821      0.53384885     -0.18168096 
+
+16
+-1511.2978174633654 11.045445 11.43338 -8.5854 -6.5364 -9.2 1.1939 -0.1025 0.867 8.76133 -0.27124 4.9729048796 5.6954084974 0.189595917
+C      0.92273016     -0.10680149     -0.02184251
+C      2.45335407      0.04530745     -0.01105581
+C      3.09358248     -0.73161094     -1.17500171
+C      2.84355965      1.49646928     -0.06512441
+N      3.53415159      2.04260396      0.86930256
+N      3.93079054      3.35410720      0.70433455
+H      0.46661504      0.39899124      0.84079158
+H      0.63594199     -1.16840230      0.01072958
+H      0.48979080      0.32641854     -0.93791139
+H      2.84662432     -0.35033133      0.93933651
+H      2.75377069     -0.33841717     -2.14652701
+H      2.81655096     -1.79555699     -1.13127403
+H      4.18961678     -0.65931602     -1.14461328
+H      2.51896450      2.07537456     -0.95448340
+H      4.05014114      3.79422524      1.61462038
+H      3.32223530      3.91511878      0.09377836 
+
+16
+-1539.2374211195618 10.318512 10.9279 -8.9312 -6.9085 -9.882 0.7857 -0.2012 1.092 9.13067 -0.48151 4.8982777062 6.3977271944 0.188177705
+C      0.90647836     -0.05600102     -0.22008076
+C      2.42782769      0.07241929     -0.04005721
+C      3.18627910     -0.82475121     -1.03369862
+C      2.91894078      1.51918265     -0.11926806
+N      2.57402428      2.20014078     -1.27797833
+N      3.67143635      2.10921503      0.74592749
+H      0.35935514      0.61287563      0.45944396
+H      0.58661383     -1.08731651     -0.01170375
+H      0.59351095      0.16805420     -1.25257131
+H      2.67129555     -0.26384683      0.98147360
+H      2.97777280     -0.52866975     -2.07199214
+H      2.88334396     -1.87496194     -0.91022527
+H      4.27183337     -0.75917422     -0.87753690
+H      1.68766291      1.96543569     -1.71386532
+H      2.77549231      3.19707965     -1.23926393
+H      3.90673264      1.45970858      1.50505656 
+
+12
+-1216.671409367894 11.831191 11.73253 -8.1872 -6.1948 -8.524 0.7351 -0.8793 0.09 8.13808 0.43869 3.7391201936 10.7493754238 0.521081945
+C      0.94185249     -0.05853081     -0.02336425
+C      2.39229084      0.01703094     -0.00887294
+C      3.60907838      0.11114318     -0.00794592
+C      5.02262633      0.11416233      0.01667567
+N      5.70963509      1.20359980     -0.15359527
+N      7.06571245      1.08533788     -0.18791863
+H      0.49548016      0.94198662      0.07744495
+H      0.56593865     -0.67955988      0.80395768
+H      0.57368110     -0.49653357     -0.96410840
+H      5.52621577     -0.85607641      0.18453560
+H      7.51788176      1.96002200      0.06624717
+H      7.47052698      0.26739790      0.28492433 
+
+12
+-1244.3791005480105 10.541323 11.19465 -8.9129 -6.9753 -9.435 1.0084 -0.6801 0.3 8.77139 0.19839 3.719951958 10.229712902 0.557018558
+C      0.94905945     -0.02389145     -0.00331142
+C      2.40154140     -0.02859662     -0.00420281
+C      3.61981302     -0.02539493     -0.00990517
+C      5.05847669      0.04117698      0.01924944
+N      5.70754231     -1.17197969     -0.15758344
+N      5.74577562      1.13041270      0.15233901
+H      0.55572360      0.99806551     -0.10708586
+H      0.55557957     -0.44305678      0.93487901
+H      0.55160827     -0.62700703     -0.83305909
+H      5.20547904     -2.00707546      0.12592079
+H      6.69730293     -1.14929583      0.07878316
+H      5.11263810      1.93521260      0.19850637 
+
+16
+-1514.5098388445115 10.769426 11.18434 -8.3821 -6.3481 -9.019 0.8397 -0.1569 0.962 8.54878 -0.3139 4.9283071154 5.6473887196 0.185338722
+C      1.99566332     -0.30287482      1.43095540
+C      2.51559624      0.09642680      0.04118988
+C      3.05432954      1.50275067     -0.02258150
+C      2.11203191      2.66440734      0.16868768
+N      4.31825565      1.64345813     -0.25662998
+N      4.81118114      2.93335934     -0.38032690
+H      1.60079961     -1.32886549      1.41890774
+H      1.18485340      0.35875754      1.77108434
+H      2.80247867     -0.25762957      2.17687400
+H      1.69582377     -0.00698162     -0.69300455
+H      3.32061492     -0.58368983     -0.27148691
+H      1.07102430      2.32959220      0.25752376
+H      2.18239402      3.36004842     -0.68411644
+H      2.34799852      3.24563736      1.07831497
+H      5.81678074      2.91580805     -0.22096029
+H      4.36204425      3.63512548      0.21978881 
+
+16
+-1510.5279722075663 10.939237 11.29822 -8.624 -6.5211 -9.24 1.1368 -0.1626 0.833 8.81682 -0.24915 4.954170595 11.490154578 0.205298326
+C      3.63457793     -1.16191279     -1.00950677
+C      3.01910638     -0.32578794      0.11370008
+C      3.31032307      1.18259341     -0.01253502
+C      4.75433947      1.53016937      0.18221394
+N      5.42837888      2.14649352     -0.72159408
+N      6.72323559      2.51725277     -0.42353610
+H      3.41919036     -2.23151684     -0.87490018
+H      4.72696094     -1.03957197     -1.04894926
+H      3.23655167     -0.85892585     -1.98995264
+H      3.38621164     -0.68477648      1.09109165
+H      1.92686911     -0.47043234      0.12874049
+H      2.71092428      1.71979823      0.74447262
+H      2.99455502      1.55540315     -0.99924618
+H      5.22291286      1.24265605      1.14530283
+H      7.27296580      2.57007176     -1.27893718
+H      7.18600700      1.93548596      0.28720580 
+
+16
+-1539.4903726281286 10.432368 11.18094 -8.9245 -6.897 -9.884 0.7843 -0.2091 1.079 9.13631 -0.48714 4.8970998392 6.4032817672 0.193677322
+C      1.78876965     -0.71749242     -0.34184900
+C      3.28540000     -0.53872966     -0.08412460
+C      3.70106004      0.94278808     -0.02215360
+C      5.19306433      1.14198532      0.18471651
+N      5.62536172      0.94817666      1.48924929
+N      6.05246912      1.48939304     -0.71128424
+H      1.51582325     -1.78123061     -0.38716619
+H      1.49246182     -0.25568352     -1.29579072
+H      1.18768331     -0.25065459      0.45313771
+H      3.86595668     -1.03848861     -0.87619987
+H      3.55692194     -1.04405353      0.85808891
+H      3.14684513      1.44691265      0.78815027
+H      3.41364295      1.43943892     -0.96144347
+H      5.08237430      0.32427006      2.07722993
+H      6.63446445      0.85535208      1.58399187
+H      5.57552130      1.66977613     -1.60133282 
+
+17
+-1630.228752867371 10.665672 11.78445 -8.9249 -6.8526 -10.52 0.9989 0.0949 3.405 9.81863 -3.33792 8.7025897386 12.2693817908 0.202618556
+C      1.04059592     -0.31379167     -0.05301403
+C      2.56041905     -0.26417882     -0.21579888
+C      3.17675426      0.97930073      0.42306522
+N      4.62860150      1.01727416      0.23054090
+C      5.36778213      1.84141371      1.19076290
+C      5.41520088      0.35155108      1.27556693
+H      0.61914230     -1.21391384     -0.52187769
+H      0.55939128      0.55983466     -0.51893420
+H      0.75035622     -0.32503501      1.00889623
+H      2.83250687     -0.28038880     -1.28302222
+H      3.01544281     -1.16205830      0.23486514
+H      2.90588742      1.01788919      1.50263551
+H      2.75667653      1.88588686     -0.04556566
+H      4.79298282      2.36098473      1.96538578
+H      6.21291217      2.40115000      0.78420728
+H      6.29619193     -0.19581339      0.93364053
+H      4.86989592     -0.11221529      2.10543626 
+
+15
+-1484.472157693764 10.578848 11.25266 -9.0644 -6.9835 -9.579 1.6498 0.014 1.403 9.04634 -0.83759 6.7453095468 6.7453095468 0.433468198
+C      1.61846748      0.37196421     -1.69416200
+C      2.36776145     -0.20403941     -0.74838374
+C      2.95111770      0.51682554      0.43185971
+N      4.39141869      0.24924833      0.55160141
+C      5.25923956      1.17082776     -0.19010411
+C      5.15140960      1.25829269      1.29649595
+H      1.20207544     -0.20316668     -2.52244044
+H      1.38810521      1.44040789     -1.66691324
+H      2.59191847     -1.27433971     -0.80198979
+H      2.48061739      0.14609259      1.36015933
+H      2.72670874      1.60318343      0.35919362
+H      4.77849182      1.96440892     -0.77205363
+H      6.13877115      0.72078694     -0.65505616
+H      5.95034431      0.87256428      1.93376177
+H      4.60187298      2.11390321      1.70418133 
+
+13
+-1326.2349033911703 10.086913 10.94639 -9.2626 -7.1572 -9.774 1.0227 0.0431 2.432 9.53512 -2.00574 4.4088057754 10.6755169636 0.544434675
+C      4.73263732     -2.15093102     -0.72519986
+C      4.20286222     -1.15708548     -0.27465889
+C      3.54661972      0.03325544      0.25855091
+N      4.42451784      1.21404000      0.21413586
+C      4.40569942      1.94519655     -1.05877377
+C      3.70810295      2.49382554      0.14123378
+H      5.20599025     -3.02857768     -1.11541054
+H      3.27270951     -0.14083670      1.31260971
+H      2.59756630      0.19765974     -0.29817212
+H      3.77693893      1.55132912     -1.86400245
+H      5.36679230      2.35424713     -1.37573556
+H      4.14945439      3.31072459      0.71563659
+H      2.61293884      2.46878277      0.13200634 
+
+17
+-1632.5977485485098 10.619505 11.5418 -8.8916 -6.8638 -10.506 1.0139 0.1096 3.391 9.79447 -3.34722 8.7080575212 12.35458497 0.164626257
+C      1.30951439      0.29176387      0.14409105
+C      2.78055427     -0.01014174     -0.14048376
+C      2.95710762     -0.84856233     -1.40616137
+N      3.50920506      1.26068412     -0.30091034
+C      3.96669873      1.88787461      0.94299501
+C      4.93727715      1.21607974      0.02875941
+H      1.19768366      0.89086642      1.05922844
+H      0.73975715     -0.63926965      0.27344343
+H      0.86986941      0.85778016     -0.69026889
+H      3.19769693     -0.57984312      0.72193072
+H      2.55648670     -0.30964800     -2.27730905
+H      2.42722115     -1.80718099     -1.31426335
+H      4.01900187     -1.06166584     -1.59549638
+H      3.74375181      1.37458580      1.88531709
+H      3.90061924      2.97739101      0.98027122
+H      5.59404352      1.80531439     -0.61485094
+H      5.35271133      0.26101153      0.36990768 
+
+19
+-1781.7586764769824 11.453209 12.86888 -8.5792 -6.4451 -10.029 0.9864 0.0551 3.299 9.29263 -3.07048 8.133047649 11.4505782468 0.163745648
+C      0.97560326     -0.15625489      0.00880583
+C      2.50098831     -0.04530127      0.01159925
+C      2.99076931      1.40172086     -0.01473345
+N      4.45028588      1.47989525      0.04181556
+C      4.95736155      2.85071330     -0.03124970
+C      6.48170636      2.87843986     -0.03613960
+H      0.65238337     -1.20662280      0.02540009
+H      0.53947818      0.31257245     -0.88650703
+H      0.53912545      0.33967954      0.88932115
+H      2.91044928     -0.58064534     -0.86350478
+H      2.91942374     -0.54053252      0.90226251
+H      2.59301748      1.93700091      0.86616448
+H      2.56750186      1.91808676     -0.90744167
+H      4.84132682      0.94164297     -0.73799151
+H      4.58025407      3.39100492      0.85424376
+H      4.57067898      3.40140356     -0.91855810
+H      6.88217805      2.37500274      0.85498257
+H      6.85295612      3.91281132     -0.05112676
+H      6.88559193      2.36861237     -0.92499263 
+
+17
+-1642.1313766144779 11.082592 11.66467 -9.1745 -7.0336 -9.531 0.8919 -0.1013 1.389 8.97399 -0.8031 6.70454295 6.70454295 0.435564942
+C      0.92684027     -0.07244479     -0.06815940
+C      2.46881089     -0.03960205      0.06952931
+C      2.89136923     -0.77471229      1.34606972
+N      3.15280244     -0.70384330     -1.07075657
+C      2.91147480      1.41236962      0.05252981
+C      3.45081839      2.11098327      1.05520198
+H      0.60594611      0.44283462     -0.98638574
+H      0.43330346      0.41692238      0.78518779
+H      0.57350882     -1.11440054     -0.12096678
+H      2.42772709     -0.33027153      2.23755396
+H      3.98343223     -0.75484476      1.45740284
+H      2.57103734     -1.82657598      1.29584955
+H      2.89222253     -0.23366532     -1.94336904
+H      2.79930470     -1.66237755     -1.15494374
+H      2.73237087      1.92108786     -0.90407973
+H      3.65629131      1.66789425      2.03153292
+H      3.71167953      3.16265611      0.92838311 
+
+15
+-1485.8027092711793 10.64307 11.43667 -9.3752 -7.2149 -9.683 0.8384 -0.1286 2.378 9.27568 -1.94153 4.3631541302 10.9607591552 0.364787789
+C      0.95926753      0.00205530     -0.01192592
+C      2.50779873     -0.02759882     -0.01024237
+C      3.02002116     -0.75776127      1.24836369
+N      3.08131005     -0.71796092     -1.19300928
+C      3.00680702      1.35785523     -0.01065066
+C      3.38469969      2.51111780      0.00023270
+H      0.58486207      0.51147926     -0.91061224
+H      0.56655299      0.52884668      0.86977867
+H      0.57096906     -1.02780146     -0.00336429
+H      2.65803324     -0.26555664      2.16017905
+H      4.11662691     -0.76905302      1.25488185
+H      2.65633980     -1.79674443      1.24692395
+H      2.79078862     -0.22548919     -2.04253104
+H      2.67224347     -1.65605851     -1.24831400
+H      3.72987967      3.52479999      0.00601990 
+
+19
+-1773.818483161463 11.366088 12.18007 -8.2191 -6.2177 -9.681 0.9767 0.0647 3.28 8.88616 -2.97622 7.6641449956 12.2612111134 0.172520208
+C      0.96778304     -0.11624089      0.01606717
+C      2.49770943     -0.01072926     -0.00738793
+C      3.03851077     -0.79870221     -1.20698575
+N      2.93684484      1.40196834     -0.05211595
+C      2.42020110      2.17744052      1.07491107
+C      4.39334063      1.52715450     -0.09019352
+H      0.52692517      0.28522582      0.93715735
+H      0.66864796     -1.17111268     -0.05431045
+H      0.53654360      0.42304209     -0.84132484
+H      2.89051406     -0.48869164      0.92433622
+H      2.74786051     -0.30582923     -2.14748309
+H      2.61585552     -1.81286064     -1.20430550
+H      4.13073676     -0.90234401     -1.19154833
+H      1.32580577      2.23912254      1.04181881
+H      2.80978817      3.20306402      1.01195401
+H      2.71818138      1.75962680      2.06432154
+H      4.80186476      1.09384928     -1.01104545
+H      4.89527790      1.04186234      0.77860853
+H      4.66109863      2.59292431     -0.08089388 
+
+17
+-1641.2008489924297 11.234531 11.98919 -9.2669 -6.9905 -9.473 1.0168 -0.0663 1.369 8.92414 -0.79468 6.6533119348 6.6533119348 0.447212984
+C      1.10522122     -0.00633500      0.29120124
+C      2.50899927      0.08614610     -0.32804945
+C      2.63855485     -0.81746041     -1.57465023
+N      2.39484183     -2.22937949     -1.24025890
+C      2.84963513      1.50757170     -0.68517363
+C      3.88349987      2.20683524     -0.20375841
+H      1.05573691      0.55008268      1.23715939
+H      0.84018735     -1.05619679      0.47276782
+H      0.35228830      0.41949373     -0.39148035
+H      3.24909783     -0.26499618      0.41589278
+H      3.62718798     -0.62807194     -2.03746163
+H      1.87676266     -0.51187026     -2.31266600
+H      3.18617353     -2.59896020     -0.70595475
+H      2.34602625     -2.78561273     -2.09619749
+H      2.17070845      1.98904239     -1.40187090
+H      4.58067644      1.76954002      0.51640984
+H      4.06664215      3.23920116     -0.50623936 
+
+15
+-1486.3163714065945 10.636882 11.50158 -9.3151 -7.0162 -9.727 0.9474 -0.0084 2.374 9.30138 -1.93847 4.3328023574 10.6192025224 0.663375883
+C      0.95369066     -0.02180652      0.07093773
+C      2.49067250     -0.01956856     -0.01609509
+C      2.98462547     -0.77032370     -1.27179412
+N      4.44445729     -0.89779443     -1.26061412
+C      3.02345411      1.34371107      0.00946780
+C      3.46936517      2.47398737     -0.00219798
+H      0.61225241      0.50008594      0.97399207
+H      0.57783041     -1.05442687      0.10339540
+H      0.51272076      0.48278968     -0.80039295
+H      2.90345597     -0.55389746      0.85821491
+H      2.57180756     -0.25414274     -2.16301199
+H      2.55054387     -1.78296307     -1.24889937
+H      4.86361075      0.03544625     -1.31706471
+H      4.75614184     -1.40662802     -2.09023602
+H      3.85946122      3.47121106      0.00721843 
+
+19
+-1787.2997326848028 11.194977 12.37934 -9.0236 -6.8882 -10.46 0.9126 -0.0466 3.046 9.79247 -2.77392 8.4624288566 11.1749945646 0.149790148
+C      1.02278858     -0.13669586      0.41428591
+C      2.52963644      0.00606978      0.63568614
+C      3.07468888      1.43280103      0.41666230
+N      2.49930106      2.45918289      1.30600206
+C      4.60657622      1.45810117      0.54323172
+C      5.24668810      2.78353944      0.12842770
+H      0.69178990     -1.17196232      0.57869059
+H      0.74291544      0.14205602     -0.61394047
+H      0.44600923      0.49997920      1.10271489
+H      3.06238515     -0.68277411     -0.04295306
+H      2.78866265     -0.31306957      1.66231613
+H      2.81506680      1.74106851     -0.61493291
+H      2.62873258      2.16992018      2.28191048
+H      1.48930321      2.52593531      1.16193111
+H      5.02095180      0.63515016     -0.06263058
+H      4.87199742      1.22607993      1.59172904
+H      5.06379823      2.99292600     -0.93697662
+H      6.33528800      2.76439688      0.28213560
+H      4.82615033      3.61624536      0.70784998 
+
+17
+-1641.4789845337891 11.09053 11.83492 -9.1761 -7.0087 -9.548 1.0242 -0.1918 1.36 9.03024 -0.78165 6.6881520008 6.6881520008 0.39703007
+C      1.58060378     -0.53662444      0.87121837
+C      3.04361000     -0.09021820      0.87909705
+C      3.27674982      1.27703862      0.21112944
+N      2.55370594      2.41678756      0.81316522
+C      4.73031210      1.67704263      0.10686303
+C      5.79593551      0.97142652      0.50269372
+H      1.46922797     -1.53067740      1.32653335
+H      1.18641488     -0.59636333     -0.15538612
+H      0.93693988      0.15236320      1.43903148
+H      3.65075784     -0.84673693      0.35461447
+H      3.41813210     -0.05091048      1.91682450
+H      2.89758234      1.20542135     -0.82838516
+H      2.84041524      2.51954663      1.79154244
+H      1.54834683      2.23101191      0.82027044
+H      4.87506728      2.67057762     -0.33023038
+H      5.71117676     -0.01817230      0.95572439
+H      6.80499174      1.36728705      0.37900377 
+
+15
+-1484.1879364996016 10.702656 11.64372 -9.3616 -7.1679 -9.739 0.8728 -0.165 2.317 9.35897 -1.92572 4.381417268 10.673024845 0.491835159
+C      0.97096796     -0.13480038     -0.04671089
+C      2.49055229     -0.02612418      0.07254920
+C      3.00931277      1.43684365      0.03786077
+N      2.53774115      2.32104722      1.12133656
+C      4.47471850      1.44441042      0.00937423
+C      5.68756789      1.40050779      0.00038336
+H      0.65453353     -1.18714063     -0.04734053
+H      0.60856922      0.32131992     -0.98119353
+H      0.45422881      0.35620246      0.79192423
+H      2.97000142     -0.57825311     -0.75161233
+H      2.83965392     -0.49430813      1.00794221
+H      2.65734317      1.89184038     -0.90784449
+H      2.85945153      1.95339872      2.02170288
+H      1.51528296      2.31222284      1.14447373
+H      6.75820488      1.38175303     -0.00992541 
+
+19
+-1774.4211062042234 11.446469 12.50215 -8.2419 -6.2218 -9.691 0.963 0.0448 3.324 8.90845 -3.06044 7.733378778 11.458662134 0.099968182
+C      0.92451331     -0.13047492     -0.02445172
+C      2.44302669     -0.22930942      0.13741334
+C      3.14921503      1.05746026     -0.29477134
+N      4.59118804      1.07042512     -0.02890612
+C      5.31666523      0.11837868     -0.86477265
+C      5.13400935      2.41307498     -0.20934925
+H      0.42967013     -1.06367289      0.27919468
+H      0.64498898      0.06872887     -1.07048971
+H      0.50880716      0.68260993      0.59050355
+H      2.81270856     -1.08393747     -0.45130951
+H      2.70333396     -0.43360595      1.18862244
+H      2.70940994      1.90012964      0.26533081
+H      2.93672044      1.25217960     -1.37477084
+H      4.97101046     -0.90587999     -0.67392347
+H      6.38766057      0.15985570     -0.62018998
+H      5.20299630      0.32765044     -1.95382057
+H      4.61899371      3.11632993      0.46109616
+H      5.02932740      2.78962980     -1.25294571
+H      6.20366472      2.41740771      0.04645990 
+
+8
+-982.2880505508962 8.64677 8.92829 -11.1883 -8.9912 -10.508 -1.3367 -3.103 -1.269 10.10145 1.83056 5.0230696152 10.406020994 0.407474412
+C      0.93159747      0.01310671      0.00000000
+C      2.28300446      0.00843694      0.00000000
+C      3.03206598     -1.21571718      0.00000000
+N      3.63735527     -2.21437657      0.00000000
+C      3.04052772      1.22743434      0.00000000
+N      3.65331398      2.22149936      0.00000000
+H      0.38198244      0.95255217      0.00000000
+H      0.37557267     -0.92256578      0.00000000 
+
+14
+-1383.4109920082435 10.854318 11.09341 -8.7201 -6.7451 -9.486 1.2862 -0.4034 0.897 8.72798 -0.38088 5.0427833892 6.025533621 0.324141849
+C      0.94576373     -0.26595477     -0.71118187
+C      2.14751618     -0.17614838     -0.13139168
+C      3.04626099      1.02360352     -0.24007310
+N      4.34975916      0.67433424     -0.79583280
+C      5.54497154      1.15899865     -0.31028595
+N      6.72892425      1.07109414     -0.80364908
+H      0.32231902     -1.15400935     -0.60193570
+H      0.54162587      0.55486471     -1.30977863
+H      2.54113501     -1.01228164      0.45624908
+H      3.23179372      1.44284156      0.76280757
+H      2.54720529      1.81387121     -0.83078567
+H      4.35335801      0.25179330     -1.72214791
+H      5.42375307      1.67032885      0.65758920
+H      6.72572417      0.57758395     -1.70965344 
+
+14
+-1391.2673777904386 11.273936 11.09925 -8.151 -6.1954 -8.51 1.3162 -0.304 0.653 7.96318 -0.12097 4.9425407082 5.146844839 0.409336841
+C      0.67604588      0.09353645      0.03879069
+C      2.15997141     -0.09332477      0.10191902
+C      3.05013493      0.90929069     -0.00366145
+N      4.43433981      0.75917256      0.05227316
+C      5.38143567      1.77101459     -0.04796754
+N      5.23997986      3.03588055     -0.21461018
+H      0.23220134     -0.47734582     -0.79301636
+H      0.40813986      1.15051612     -0.09911958
+H      0.18496417     -0.26050297      0.95973456
+H      2.52799932     -1.11605467      0.24290704
+H      2.71338163      1.93843606     -0.14466724
+H      4.79301440     -0.18282162      0.18513230
+H      6.40124034      1.37026569      0.03467308
+H      4.25286139      3.31774715     -0.28154749 
+
+14
+-1392.599211932259 11.165888 10.85801 -8.2175 -6.3023 -8.737 1.2728 -0.3094 0.557 8.05304 -0.0739 4.986654927 5.2914869066 0.461679138
+C      0.99320589     -0.26121141      0.15155784
+C      2.48750916     -0.35409028      0.02445527
+C      3.14345997     -1.53252919      0.02946682
+N      3.19172486      0.85391535     -0.10216111
+C      2.68017853      2.13936288     -0.12461181
+N      3.32091186      3.24812770     -0.24043455
+H      0.69673797      0.31508230      1.04113565
+H      0.57043556     -1.26789536      0.24004938
+H      0.54060056      0.22538276     -0.72572885
+H      2.59574962     -2.46653312      0.12745497
+H      4.22903253     -1.58902540     -0.06301752
+H      4.20419725      0.77109460     -0.18759439
+H      1.58946073      2.17971649     -0.02948680
+H      4.33763551      3.09220265     -0.32285490 
+
+12
+-1267.0829564327473 10.186444 10.22023 -8.4474 -6.4719 -8.642 0.9518 -0.6417 0.047 8.1764 0.46034 4.679541605 4.679541605 0.311529988
+C      0.94139284      0.07741982     -0.01621144
+C      2.45179172     -0.00260846     -0.01532852
+C      3.12206265     -1.19060141     -0.03681888
+N      2.52733980     -2.42448007     -0.11089950
+C      3.20355040      1.20011882     -0.00548918
+N      3.79106602      2.21586652      0.00569208
+H      0.60551098      1.11246217      0.11258292
+H      0.50574831     -0.51349175      0.80689117
+H      0.51768541     -0.29553276     -0.96294049
+H      4.21267373     -1.20162459     -0.04316994
+H      1.53368380     -2.49908394      0.08690796
+H      3.07769434     -3.23523434      0.14636383 
+
+18
+-1662.847193151814 10.689982 11.39574 -8.8939 -6.7198 -10.349 0.8163 -0.1786 2.983 9.79308 -2.67007 8.3045450842 10.9329118996 0.118058194
+C      0.92291478     -0.07351450      0.06105856
+C      2.45454461     -0.09722258      0.07478039
+C      2.95556633     -0.79461537      1.35069512
+N      2.92252890     -0.89112820     -1.08026662
+C      2.98299952      1.36212695      0.02791342
+N      4.45236756      1.39953884     -0.05425694
+H      0.54304155      0.43190530     -0.84160803
+H      0.52416857      0.45778700      0.93753863
+H      0.53001405     -1.09991710      0.06709986
+H      2.65732056     -0.23886761      2.25305384
+H      4.05194063     -0.88723729      1.34412091
+H      2.54125634     -1.81021888      1.40878429
+H      3.92328672     -0.68827676     -1.19446189
+H      2.47504624     -0.53216552     -1.93037625
+H      2.57197244      1.92716293      0.88983475
+H      2.58605453      1.83629815     -0.88505018
+H      4.86411289      1.28671209      0.87492674
+H      4.76344378      2.31040253     -0.39480662 
+
+16
+-1531.3323692352992 10.414657 10.95508 -8.6541 -6.6898 -9.521 0.7512 -0.1934 1.026 8.71213 -0.49412 5.003021079 8.6792183776 0.243453935
+C      1.00185543     -0.52187752      0.48227452
+C      2.26519614     -0.27843404     -0.34394611
+C      2.86456420     -1.58721286     -0.87951474
+N      1.96661629      0.67178903     -1.41478949
+C      2.91256943      1.42843382     -2.07134834
+N      4.16716989      1.58985155     -1.82887115
+H      0.61351399      0.41799150      0.89754107
+H      1.21169887     -1.20929714      1.31288872
+H      0.21352763     -0.98191848     -0.13529133
+H      3.00975632      0.21072301      0.30859972
+H      2.12164155     -2.13310677     -1.48062723
+H      3.18036539     -2.23938745     -0.05227203
+H      3.73788478     -1.38893244     -1.51528182
+H      1.06062115      0.58378791     -1.86651550
+H      2.47769913      1.98751057     -2.91352472
+H      4.47807981      1.02307932     -1.02739156 
+
+10
+-1125.6393478032871 8.297708 9.28529 -12.3445 -9.8643 -12.079 0.6424 -0.7836 0.487 11.76342 -0.32342 5.3269221054 11.5700139606 0.431899555
+C      0.95472440     -0.02740150      0.01354009
+C      2.50243292     -0.00865508     -0.00897304
+C      3.03408426     -0.77000535     -1.14990930
+N      3.42427432     -1.40542758     -2.04500267
+C      3.02379439      1.36681825     -0.01224636
+N      3.40348889      2.46766219      0.02140396
+H      0.59601620      0.51880937      0.89338278
+H      0.60279803     -1.06421400      0.06159281
+H      0.55387895      0.44571207     -0.88992555
+H      2.88484763     -0.49395836      0.90657728 
+
+18
+-1658.4226918930244 10.724835 11.64259 -8.9125 -6.6073 -10.36 0.9236 -0.0337 3.127 10.08967 -2.82553 8.6132702242 11.3197110238 0.124258473
+C      1.22840515     -0.15590726      0.42219752
+C      2.51410415      0.12227072     -0.36113517
+C      2.55235498     -0.65792875     -1.68428469
+N      2.63745293     -2.11165196     -1.44275448
+C      2.69918549      1.62920558     -0.59989245
+N      4.04170498      1.94088408     -1.12023748
+H      1.26002468      0.29311652      1.42630044
+H      1.07267251     -1.23775512      0.52448672
+H      0.35528806      0.26287656     -0.10526438
+H      3.37359282     -0.22075701      0.25020824
+H      3.37515177     -0.25465572     -2.30166329
+H      1.60994598     -0.46619131     -2.22795391
+H      3.57769962     -2.34241405     -1.10761815
+H      2.52985229     -2.61292433     -2.32752528
+H      2.45133381      2.16477322      0.33908148
+H      1.96225364      1.96283464     -1.35179585
+H      4.73307831      1.82223556     -0.37458913
+H      4.08997882      2.92455864     -1.39416014 
+
+18
+-1659.939398468689 10.678278 11.55816 -8.9103 -6.6848 -10.274 0.9233 -0.072 3.132 9.79314 -2.84773 8.4355238946 12.0452894944 0.1384938
+C      1.20060756     -0.32517828      0.92844286
+C      2.64974807     -0.34308194      0.44101421
+C      3.29785414      1.05169664      0.33386461
+N      3.33130557      1.82556262      1.59138306
+C      4.73365554      0.97077330     -0.21369677
+N      5.64816791      0.39880670      0.79193946
+H      0.78130979     -1.34091597      0.96448440
+H      0.55926401      0.27438670      0.26240749
+H      1.11576935      0.09547346      1.94213326
+H      2.69043434     -0.82094712     -0.55342826
+H      3.27302363     -0.96193621      1.10765156
+H      2.71313908      1.65137712     -0.38766001
+H      3.69970415      1.22120630      2.33348579
+H      2.38092952      2.07030661      1.87577868
+H      5.03338883      1.98233779     -0.54710657
+H      4.74058830      0.31382174     -1.09767399
+H      5.92028217      1.13615969      1.44733396
+H      6.51125804      0.08961085      0.34217626 
+
+16
+-1529.539874984987 10.47189 11.10386 -8.7605 -6.7436 -9.641 0.7606 -0.1945 0.999 8.86185 -0.48269 4.9974789048 8.6716304344 0.240664628
+C      1.73440786     -1.17194552      1.19346708
+C      2.10090053     -0.30287541     -0.01153352
+C      3.13648209      0.78178197      0.28988308
+N      4.42767302      0.20672175      0.64081641
+C      5.50084607      0.97296313      1.04395100
+N      5.55191623      2.22551290      1.33693461
+H      0.99160107     -1.93350544      0.91853533
+H      1.30566146     -0.56088222      2.00191178
+H      2.61199916     -1.69065778      1.60455329
+H      1.19847890      0.19545346     -0.39908037
+H      2.47170389     -0.93428963     -0.83856369
+H      2.78694557      1.39417156      1.13969106
+H      3.23195520      1.46103050     -0.57909213
+H      4.64710038     -0.69944115      0.23584741
+H      6.42155913      0.37919094      1.14363161
+H      4.63928944      2.68226093      1.19776706 
+
+12
+-1226.6026239169128 12.197022 10.8795 -9.0293 -7.0985 -9.013 -0.3056 -1.9687 -0.533 8.54912 1.18909 4.2571956946 4.8721786532 1.065091157
+C      0.90437464     -0.34627643     -0.09446452
+C      2.23623133     -0.15266092     -0.05316335
+C      2.83204523      1.16557585     -0.08830843
+N      4.12017236      1.30844781     -0.04587507
+N      4.48097368      2.67000746     -0.09148887
+C      5.75641132      2.82429155     -0.04864141
+H      0.47159819     -1.34616906     -0.06733076
+H      0.21189168      0.49624037     -0.15720784
+H      2.92860129     -0.99617108      0.00950156
+H      2.17723212      2.04925628     -0.15116258
+H      6.14233910      3.84600579     -0.07836713
+H      6.45008905      1.97415237      0.01541840 
+
+14
+-1357.5530305015936 11.183681 11.18974 -8.4719 -6.4655 -9.142 1.4708 -0.2615 0.626 8.58196 -0.09484 4.8195589948 5.3805832462 0.391927471
+C      1.53165586     -0.56511965     -1.14755431
+C      2.13407619     -0.08457358     -0.05465885
+C      2.95995457      1.16833646     -0.03163385
+N      4.30756684      0.88473000      0.46213761
+N      5.01558879      1.96846384      0.87536050
+C      6.30168507      1.90785405      0.86872626
+H      0.92315624     -1.46979366     -1.11537524
+H      1.61968953     -0.05926260     -2.11266224
+H      2.04214947     -0.61138963      0.90083854
+H      2.53069812      1.89970802      0.67126479
+H      2.96728881      1.63957195     -1.03355970
+H      4.82734230      0.20481303     -0.10967651
+H      6.84887843      2.76362867      1.26387276
+H      6.86619978      1.03534309      0.49950024 
+
+14
+-1372.2230255354434 10.939665 10.92018 -8.7067 -6.7408 -9.371 0.5642 -1.1253 0.308 8.90361 0.39663 4.3530988656 5.5327884598 0.651436945
+C      0.77408419      0.12590576     -0.02627738
+C      2.22816385     -0.22266859      0.07198618
+C      2.62046244     -1.67132197     -0.07382960
+N      3.05078456      0.75818642      0.27646448
+N      4.39702761      0.33155479      0.35515058
+C      5.18967152      1.31996912      0.55998639
+H      0.62505387      1.20454780      0.09571656
+H      0.19896979     -0.41438757      0.74269846
+H      0.36963659     -0.19337395     -1.00026729
+H      1.73713470     -2.30698593     -0.21021723
+H      3.18119553     -2.01022935      0.80771420
+H      3.29478184     -1.80209362     -0.93156011
+H      6.25885412      1.10670053      0.63863947
+H      4.82552937      2.35367656      0.65472528 
+
+16
+-1504.9141485399655 11.106398 11.35336 -8.3617 -6.3616 -9.101 1.5031 -0.2006 0.695 8.52798 -0.17626 4.7591034212 5.3813395608 0.33353965
+C      0.92353726     -0.20112170     -0.13379060
+C      2.44266294     -0.10153476     -0.25407552
+C      2.99563200     -1.01932680     -1.34271327
+N      2.78258582      1.30119152     -0.55298957
+N      4.10660230      1.59769520     -0.57072479
+C      4.47651339      2.81335788     -0.36571339
+H      0.53617199      0.44873053      0.66637512
+H      0.62980214     -1.23202893      0.10453978
+H      0.43970697      0.08641488     -1.07941030
+H      2.89428859     -0.39335576      0.71548929
+H      2.51922014     -0.79676698     -2.30932612
+H      2.80295232     -2.07091363     -1.08710755
+H      4.07796333     -0.87616546     -1.44943361
+H      2.19190496      1.98070325     -0.05378923
+H      5.54064140      3.03846371     -0.43895783
+H      3.77191443      3.63062704     -0.13559240 
+
+16
+-1505.7278649506122 11.346003 11.76834 -8.139 -6.1393 -8.881 1.381 -0.0545 0.872 8.36407 -0.2717 4.903832279 5.3834349242 0.21168076
+C      1.83987659     -0.93180428      0.99606266
+C      2.83998020     -0.38044715     -0.03285487
+C      2.87248488      1.11694513     -0.06644511
+N      3.93221550      1.76980277      0.26157640
+N      3.87299032      3.13794617      0.31431983
+C      5.15223659      3.79380911      0.07364801
+H      1.81602306     -2.03073123      0.97071988
+H      0.81965052     -0.57082238      0.79593417
+H      2.11360021     -0.61756962      2.01332758
+H      2.56909375     -0.76010397     -1.03424697
+H      3.85611949     -0.73905719      0.18717452
+H      1.94102219      1.64659559     -0.35067678
+H      3.09968128      3.54471865     -0.22944618
+H      5.89083158      3.38666348      0.77583653
+H      5.03682974      4.86818518      0.27028164
+H      5.53508411      3.65598976     -0.95454130 
+
+14
+-1368.0971425296234 11.092796 11.18369 -9.0074 -6.9922 -9.644 0.5278 -1.191 0.229 9.25637 0.4364 4.4741092016 5.7573890988 0.733522996
+C      0.82018025     -0.41081941      0.11700190
+C      2.34192707     -0.19803976      0.05385325
+C      2.70066881      1.22885025     -0.19569524
+N      3.37597403      1.57895084     -1.23358664
+N      3.58512998      2.98278780     -1.26222427
+C      4.23075621      3.33998181     -2.31176117
+H      0.58683155     -1.45742276      0.35488132
+H      0.35037847     -0.16578332     -0.84565792
+H      0.35819055      0.22142367      0.88932002
+H      2.79560337     -0.82132707     -0.72953976
+H      2.78627619     -0.50003572      1.01885710
+H      2.36186130      1.99415097      0.52371333
+H      4.44589699      4.40447253     -2.43419110
+H      4.56360524      2.61915017     -3.07216082 
+
+16
+-1531.4121058021515 10.432023 11.01109 -8.4564 -6.4941 -9.537 0.8386 -0.1191 1.106 8.73541 -0.49186 4.9044274118 8.6035373232 0.198540306
+C      0.99533103     -0.55464448     -0.29755745
+C      1.65431897      0.53469364      0.56328206
+C      2.95669097      1.04705409     -0.02869978
+N      3.11121183      2.16909475     -0.65242194
+N      4.04552897      0.19065842      0.04026275
+C      4.25438571     -0.77876528      1.10504351
+H      0.04804317     -0.88496519      0.15087544
+H      1.64514908     -1.43395134     -0.40758675
+H      0.78206055     -0.17433180     -1.30642669
+H      1.82311621      0.15304523      1.58350746
+H      0.97448207      1.39267420      0.66345255
+H      2.21597488      2.66673330     -0.70682094
+H      4.88647376      0.64415829     -0.31528778
+H      4.35515381     -0.32412625      2.10821705
+H      5.17517425     -1.33604521      0.89092714
+H      3.43518474     -1.51067236      1.13822337 
+
+16
+-1502.7999268254962 11.172686 11.67119 -8.3835 -6.3466 -9.108 1.5373 -0.1756 0.683 8.54952 -0.17213 4.8012462626 5.3833357354 0.361750345
+C      0.95181102     -0.20455519      0.06514861
+C      2.46683878     -0.15344519      0.26606130
+C      3.01522507      1.26883496      0.17352397
+N      4.46527383      1.28256246      0.35482687
+N      5.01794299      2.50888192      0.54113053
+C      6.25336373      2.68835303      0.22550623
+H      0.57668072     -1.23480979      0.13668335
+H      0.66430569      0.18752921     -0.92219268
+H      0.42892090      0.39440212      0.82607833
+H      2.95802719     -0.78551663     -0.49473930
+H      2.73862023     -0.57695304      1.24602224
+H      2.59100905      1.90029935      0.96838901
+H      2.71968275      1.72359422     -0.79372240
+H      4.97270600      0.67041647     -0.30024821
+H      6.69488545      3.66054804      0.44407196
+H      6.87906660      1.90717806     -0.23855981 
+
+17
+-1633.8659800151256 10.758257 11.88953 -8.7901 -6.7812 -10.409 1.0217 0.1277 3.313 9.71564 -2.99977 8.5037533904 11.7542075622 0.230612317
+C      3.04392041     -1.07182866     -0.54452902
+C      2.49469305      0.18514769      0.12131922
+N      3.49584391      1.25610860      0.12929718
+C      3.50363154      2.11783494     -1.06314272
+C      2.97719440      2.62380814      0.24087272
+C      3.74096736      3.59498672      1.10667920
+H      2.30391362     -1.88386016     -0.51116980
+H      3.95706135     -1.41022239     -0.03566841
+H      3.29300229     -0.88254731     -1.59914114
+H      2.23286772     -0.02714818      1.17117209
+H      1.55921579      0.50538535     -0.38834840
+H      2.77343082      1.90387293     -1.85218577
+H      4.49009081      2.43208417     -1.41434316
+H      1.88311606      2.71346420      0.28856543
+H      4.82257862      3.43950483      0.99533128
+H      3.48583199      3.46131267      2.16875486
+H      3.50715026      4.63382646      0.82909646 
+
+17
+-1633.7336133887438 10.710088 11.56578 -8.3253 -6.2909 -9.772 1.0219 0.1166 3.402 9.00941 -3.20441 7.9485068866 11.0570962772 0.100998735
+C      2.33542698     -0.46065734     -1.39948879
+C      2.40405676      0.10301862      0.01657819
+N      3.20142095      1.31818104      0.07707732
+C      2.63347992      2.55692029     -0.51637253
+C      3.25245458      3.35815998      0.65267802
+C      3.31711012      2.00003050      1.38951206
+H      1.74110819     -1.38489173     -1.42174232
+H      3.34382989     -0.68168977     -1.77672520
+H      1.86330348      0.25479249     -2.08944691
+H      2.87075507     -0.63420086      0.69134367
+H      1.37125586      0.28287793      0.40118291
+H      1.52299863      2.57410263     -0.47851567
+H      2.96347815      2.78242471     -1.54178471
+H      4.24818839      3.74932880      0.40919496
+H      2.64067375      4.14843839      1.10241389
+H      4.22237717      1.75142191      1.96499882
+H      2.42381209      1.84425242      2.03086631 
+
+17
+-1635.965510782515 10.75433 11.9212 -8.6356 -6.5539 -9.927 1.0307 0.1086 3.492 9.19456 -3.31089 8.04421168 11.6164839134 0.221970246
+C      1.15644653     -0.22951605     -0.01764975
+C      2.67722255     -0.23530249     -0.12339011
+N      3.25319624      0.95871108      0.50611990
+C      4.69365370      0.99526869      0.46020720
+C      5.33435804      1.65729285     -0.73704676
+C      5.36171044      2.33747448      0.61412531
+H      0.72711012     -1.11401786     -0.50860059
+H      0.73777533      0.67129556     -0.48797892
+H      0.83110152     -0.24468061      1.03474174
+H      2.98095245     -0.22648129     -1.18321329
+H      3.07965212     -1.17806065      0.30888253
+H      2.94297587      1.00849763      1.48150449
+H      5.23706677      0.13052283      0.87393044
+H      4.65472059      2.06850801     -1.48401032
+H      6.26180280      1.23688677     -1.12678821
+H      6.30673042      2.38304729      1.15580401
+H      4.70242452      3.19496376      0.75108233 
+
+17
+-1640.6893282354147 10.605557 11.6609 -9.1409 -6.9263 -10.539 0.9465 0.0129 3.121 9.8755 -2.78851 8.5225992624 10.8689971166 0.155859396
+C      1.10097302      0.18422259      0.14208303
+C      2.60097208     -0.02205907     -0.12031397
+N      2.90639659     -0.75002799     -1.36919730
+C      3.33983363      1.30259164     -0.11127369
+C      3.82735831      1.88786894      1.19405424
+C      4.81570670      1.34591940      0.18566780
+H      0.92845233      0.68879734      1.10524787
+H      0.56729778     -0.77792863      0.16139695
+H      0.65118197      0.80443238     -0.64983011
+H      3.01430805     -0.63509352      0.70196151
+H      2.57742696     -0.19820176     -2.16850223
+H      2.36658304     -1.62007296     -1.39395306
+H      2.97269450      2.02463570     -0.84927501
+H      3.65854133      1.30583573      2.10218818
+H      3.76674004      2.96759789      1.33380320
+H      5.43591971      2.05472505     -0.36330105
+H      5.30171394      0.39433728      0.40488366 
+
+16
+-1509.110209969499 10.10895 10.99552 -9.1469 -6.932 -10.514 0.8981 -0.0487 3.022 9.88059 -2.69709 8.4370737196 11.8045706754 0.192014044
+C      1.11303711      0.11377102      0.15802935
+C      2.60588434     -0.08110734     -0.14984890
+N      2.88224976     -0.74142852     -1.44020358
+C      3.34439705      1.24360159     -0.11195130
+C      3.73038069      1.90163311      1.16526149
+N      4.74831987      1.21626250      0.33582261
+H      0.95870030      0.57305547      1.14666938
+H      0.58398026     -0.85048126      0.14448801
+H      0.64053678      0.76643901     -0.59393193
+H      3.05920053     -0.71485426      0.63113850
+H      2.39650511     -0.23611956     -2.18893744
+H      2.47901744     -1.68211548     -1.43520997
+H      3.09306393      1.91981579     -0.94021777
+H      3.51634319      1.40412945      2.11533157
+H      3.71824140      2.99395802      1.20741038
+H      5.29672225      1.90573047     -0.18695040 
+
+17
+-1643.7293564515733 11.100914 11.73385 -9.1506 -6.9595 -9.132 0.8567 -0.1053 1.469 8.51188 -0.83438 6.3930405236 6.3930405236 0.405464369
+C      0.95426384     -0.17377129     -0.14197987
+C      2.47356354      0.06087637     -0.02599818
+N      3.27714147     -0.71512972     -0.99601612
+C      2.81165504      1.54320577     -0.12716709
+C      2.78963717      2.16404484     -1.49838144
+C      3.10111802      2.25560960      0.97097879
+H      0.40229529      0.39100859      0.62386384
+H      0.72314143     -1.24244187     -0.01551266
+H      0.57769385      0.13549083     -1.12939129
+H      2.79350749     -0.27359621      0.97460583
+H      2.90288990     -0.57519997     -1.94012690
+H      3.15688324     -1.71240648     -0.80064377
+H      1.81969846      2.01787530     -2.00117974
+H      3.56133470      1.70836476     -2.13883143
+H      2.98464698      3.24311712     -1.44805862
+H      3.13777364      1.79012139      1.95849905
+H      3.31337595      3.32557096      0.91907962 
+
+17
+-1642.8356099310447 11.193598 11.88181 -9.2234 -7.0111 -9.506 0.9273 -0.0121 1.346 8.98529 -0.783 6.6520100818 6.6520100818 0.436039368
+C      0.82736899     -0.29243402     -0.02393112
+C      2.35280335     -0.13956483      0.03325186
+N      3.09501979     -1.12833711     -0.77187936
+C      2.80741508      1.26994616     -0.39742747
+C      2.33469342      2.36931301      0.50610838
+C      1.60522088      3.42646945      0.13054224
+H      0.31976834      0.45256661      0.60712125
+H      0.52164841     -1.29340455      0.31534358
+H      0.46559632     -0.15872389     -1.05679869
+H      2.67942336     -0.28742495      1.07912974
+H      2.81829571     -1.03482859     -1.75539605
+H      2.81060283     -2.07258888     -0.49602155
+H      2.46773134      1.46394010     -1.43083970
+H      3.91062428      1.25620181     -0.41761697
+H      2.63152270      2.28099571      1.55903510
+H      1.28706949      3.55842073     -0.90723253
+H      1.30681573      4.19749326      0.84259130 
+
+15
+-1485.9394498915435 10.74482 11.69222 -9.262 -7.0559 -9.772 0.827 -0.1543 2.401 9.36808 -2.01909 4.3758131008 10.6580597348 0.822376378
+C      0.91657942      0.01299607      0.09515142
+C      2.44107924     -0.05523996     -0.07784009
+N      2.89159259     -0.78013831     -1.27318522
+C      3.03706701      1.37235774     -0.09432152
+C      4.49037978      1.42236492     -0.01064438
+C      5.69833755      1.47793024      0.09317317
+H      0.63201935      0.51265206      1.03450895
+H      0.48396975     -0.99784179      0.10766265
+H      0.45341550      0.56689379     -0.73766317
+H      2.87324640     -0.58150396      0.79004033
+H      2.45505019     -0.37446406     -2.10753052
+H      2.57426763     -1.75144959     -1.22899265
+H      2.60979572      1.94654566      0.74447737
+H      2.70206769      1.88367034     -1.01555525
+H      6.76553217      1.51487684      0.16873892 
+
+19
+-1774.7059550125307 11.455126 12.36296 -8.1955 -6.2158 -9.682 1.0006 0.0937 3.452 8.87947 -3.2332 7.722220038 12.189559604 0.119189077
+C      1.00325812     -0.17975303      0.64308002
+C      2.48826248     -0.00367051      0.95450306
+N      3.02071690      1.30619537      0.55690155
+C      2.47535667      2.37458896      1.39069916
+C      4.48958768      1.33420040      0.59858177
+C      5.15625376      0.49798208     -0.49183789
+H      0.69433559     -1.21155539      0.86377141
+H      0.80823051      0.02094528     -0.42002449
+H      0.36550209      0.48572520      1.24103570
+H      3.04853476     -0.77284408      0.40416096
+H      2.67221671     -0.19160895      2.03972122
+H      1.38290116      2.41905272      1.29284400
+H      2.87908328      3.34153999      1.05869113
+H      2.72039689      2.24876698      2.47087718
+H      4.87148015      1.02533694      1.60083694
+H      4.79026226      2.38555176      0.46518766
+H      4.99373614     -0.58065519     -0.35846195
+H      6.24279404      0.66537608     -0.47799879
+H      4.77266082      0.78311538     -1.48179865 
+
+19
+-1783.0194703152174 11.383228 12.49476 -8.5491 -6.4716 -10.019 0.9425 0.0204 3.305 9.26874 -3.02882 8.0954922896 11.6840438848 0.170065838
+C      1.13167062     -0.22172898     -0.50805970
+C      2.65359121     -0.18574829     -0.42122796
+N      3.14536183      1.19429488     -0.46115926
+C      4.58096334      1.34548011     -0.17368344
+C      5.42621171      0.83734683     -1.34567862
+C      4.87476037      2.81921072      0.10909652
+H      0.76462740     -1.25745395     -0.52129009
+H      0.78338639      0.28433941     -1.41963461
+H      0.67267440      0.28229392      0.35732876
+H      3.07826147     -0.73349622     -1.27789181
+H      2.98924788     -0.72469980      0.49396238
+H      2.62350516      1.73614837      0.23469628
+H      4.86507334      0.75560429      0.72953812
+H      5.17346563      1.39149791     -2.26225941
+H      5.26487257     -0.23264007     -1.53639959
+H      6.49609862      0.97682913     -1.13358920
+H      4.61584287      3.43503837     -0.76543097
+H      5.93921031      2.96810735      0.33785951
+H      4.29287489      3.18401602      0.96988308 
+
+17
+-1636.6028599684803 11.452368 12.39054 -8.6896 -6.6025 -9.601 1.3859 0.0328 1.348 9.09442 -0.79319 6.7291665696 6.7291665696 0.428557065
+C      1.75452999     -1.35272958      0.51120106
+C      3.25278116     -1.09097505      0.61068091
+N      3.64386418      0.05807836     -0.20856097
+C      5.06432687      0.39605342     -0.08043977
+C      5.41685246      1.57363669     -0.94110387
+C      5.99697918      2.69255649     -0.49319040
+H      1.47338732     -2.23806565      1.09838602
+H      1.45748692     -1.51575424     -0.53421224
+H      1.17645344     -0.49980246      0.90009709
+H      3.80987203     -1.96843485      0.23906609
+H      3.54116323     -0.96880136      1.67908904
+H      3.08918905      0.87328359      0.07079362
+H      5.63906439     -0.48536406     -0.42154633
+H      5.37973656      0.59081387      0.96886273
+H      5.15576258      1.47704900     -2.00047469
+H      6.25473429      2.81443482      0.56245022
+H      6.24110635      3.51858100     -1.16276852 
+
+15
+-1478.6305510827247 10.899014 12.03851 -8.9016 -6.7866 -9.736 0.969 -0.0372 2.354 9.43879 -1.94495 4.4026684684 10.9006507424 0.756281569
+C      1.22549720     -0.32372150     -0.10519168
+C      2.73757959     -0.17733521      0.01260361
+N      3.14667042      1.21376021     -0.19347569
+C      4.59210493      1.39712818     -0.00991197
+C      4.97427555      2.80459143     -0.03909447
+C      5.28677805      3.97692514     -0.03337780
+H      0.92648238     -1.37417669      0.01444243
+H      0.87628809      0.03148054     -1.08445187
+H      0.70886298      0.25917028      0.67305471
+H      3.23168563     -0.78792565     -0.76298563
+H      3.08027881     -0.58029625      0.99233618
+H      2.65484045      1.81674049      0.47263396
+H      5.11182791      0.86386709     -0.82597077
+H      4.96913386      0.94988919      0.93818179
+H      5.56463416      5.01103276     -0.04151281 
+
+18
+-1654.279681738534 10.981064 11.98205 -8.5769 -6.425 -10.019 0.9747 -0.0024 3.445 9.33866 -3.30091 8.2176432968 12.7734220766 0.133216457
+C      1.15970072     -0.56275674      0.16700330
+C      2.63641007     -0.80089140     -0.12766145
+N      3.39188929      0.45489766     -0.10023648
+C      4.83065782      0.25962824     -0.29326013
+C      5.55764906      1.59885583     -0.39344060
+N      5.32014111      2.41665022      0.81166743
+H      0.59252573     -1.50218403      0.10611250
+H      0.73159971      0.15247132     -0.54942018
+H      1.01764773     -0.15526340      1.18029989
+H      2.74846795     -1.23523435     -1.13599912
+H      3.04228990     -1.55478204      0.58375555
+H      3.26258929      0.88137973      0.82359435
+H      4.97687663     -0.29392167     -1.23643152
+H      5.28950862     -0.34512163      0.51932897
+H      5.24829419      2.10256696     -1.32936331
+H      6.63832013      1.40073209     -0.46549555
+H      4.43272634      2.91577926      0.70997827
+H      6.03557570      3.14192392      0.88685808 
+
+18
+-1659.8189746676512 10.8248 11.81213 -8.9396 -6.6409 -10.363 0.8975 -0.065 3.12 9.875 -2.84712 8.525525332 10.842637693 0.115944858
+C      1.00579367     -0.58380142      0.11101412
+C      2.46879396     -0.22171102     -0.18464958
+N      3.09682908     -1.06380828     -1.22319910
+C      2.60216007      1.25854250     -0.56760300
+C      4.04239323      1.75904844     -0.66982637
+N      4.05885276      3.20631786     -0.95935553
+H      0.59650783      0.01917320      0.93668851
+H      0.91129885     -1.64471417      0.38809211
+H      0.37660263     -0.40966166     -0.77731364
+H      3.05692763     -0.38465365      0.73770206
+H      2.54632737     -0.99212859     -2.08634907
+H      3.04261370     -2.04711167     -0.94301154
+H      2.06775847      1.87804118      0.17030790
+H      2.08688286      1.41968156     -1.53520125
+H      4.58971673      1.13895129     -1.40306971
+H      4.53941428      1.61194529      0.30433173
+H      3.68403771      3.36806317     -1.89905615
+H      5.02604917      3.53805597     -0.98843149 
+
+12
+-1272.421607763257 10.107506 10.18225 -8.5577 -6.5777 -8.715 0.8313 -0.7562 0.099 8.13739 0.45395 4.6380434908 11.4244295994 0.278010266
+C      0.88283686      0.07296602      0.02359920
+C      2.38279014      0.02902827      0.03165656
+N      2.94174387     -1.21826616      0.11430512
+C      3.13489010      1.17487378      0.00527626
+C      4.54494214      1.12208460     -0.00960327
+N      5.71463858      1.01691807     -0.02837773
+H      0.52006286      1.10568634     -0.00892383
+H      0.47647821     -0.41361313      0.92293537
+H      0.48265238     -0.46020707     -0.85302565
+H      2.38166968     -2.02288646     -0.14156285
+H      3.94640397     -1.30835407     -0.01903992
+H      2.64900121      2.14800983      0.00000072 
+
+18
+-1662.517484344954 10.720722 11.44733 -8.8814 -6.6969 -10.4 0.8594 -0.1016 2.999 9.77792 -2.69785 8.4212655046 11.663425013 0.098959548
+C      0.95380843     -0.09981157     -0.03349178
+C      2.47508334      0.07696179      0.06755167
+N      3.22105487     -0.65232215     -0.98028771
+C      2.92424703      1.56235052      0.02072556
+C      2.27007866      2.42051009      1.10264977
+N      4.38368702      1.72732494      0.09246349
+H      0.42325274      0.33812833      0.82421184
+H      0.69018067     -1.16714414     -0.07567655
+H      0.56764116      0.37664728     -0.94993790
+H      2.81932657     -0.33323204      1.03560216
+H      2.82000780     -0.42694014     -1.89706876
+H      3.09432126     -1.65976367     -0.85989576
+H      2.60629512      1.95579719     -0.96672787
+H      2.48005080      2.01214301      2.10572368
+H      1.18088572      2.48350334      0.98437450
+H      2.67900477      3.43913457      1.06011971
+H      4.80033275      0.96767979     -0.45786527
+H      4.68573130      1.56741285      1.05971921 
+
+16
+-1524.1098634960292 10.526941 10.96557 -8.3445 -6.4257 -9.206 0.7685 -0.179 1.063 8.33443 -0.50978 5.0073729876 8.9638406392 0.187779915
+C      2.10729233     -0.21991150      1.51071866
+C      2.46202074      0.12623724      0.06166631
+N      3.00070780      1.47175862     -0.12236679
+C      2.11195299      2.60472578      0.06671989
+C      4.36544169      1.67383143     -0.13669386
+N      5.04063121      2.76882383     -0.06023466
+H      1.71039096     -1.24365568      1.57244207
+H      1.34111556      0.45953849      1.91124414
+H      2.99393345     -0.15369070      2.15725205
+H      1.57273575      0.01516568     -0.58198362
+H      3.21503961     -0.58038918     -0.31889161
+H      1.07872175      2.28660339     -0.12418432
+H      2.35864960      3.40294772     -0.65023347
+H      2.16399446      3.02746532      1.08660712
+H      4.92277619      0.73310507     -0.26123762
+H      4.42829590      3.58477448      0.07842571 
+
+16
+-1535.2597524882672 10.4909 11.30087 -8.6245 -6.6768 -9.571 0.7453 -0.1887 1.141 8.77223 -0.53797 5.0289589502 12.5946342646 0.220827615
+C      1.89529987     -0.09431264     -0.43631040
+C      3.17256821     -0.27760933      0.37464461
+N      4.07770637      0.84561856      0.17801269
+C      5.33091131      0.90226013      0.76907938
+C      6.18489175      2.05311965      0.29203779
+N      5.79016058      0.10869218      1.67935709
+H      1.20757900     -0.93214441     -0.26120857
+H      2.10925621     -0.06096179     -1.51548822
+H      1.37957504      0.83525606     -0.15595380
+H      3.66356137     -1.23103921      0.09842887
+H      2.92195269     -0.34559276      1.44709930
+H      3.95667837      1.37129812     -0.68380822
+H      5.69603199      3.01686944      0.49889254
+H      6.36319999      1.99251117     -0.79298912
+H      7.14724523      2.01954576      0.81220823
+H      5.11192202     -0.63101095      1.90622785 
+
+14
+-1390.6540030156712 9.547964 10.46397 -9.5538 -7.4147 -10.518 0.9178 -0.2172 1.363 9.79453 -0.99503 5.3783762954 12.0295432724 0.194338298
+C      0.75993200     -0.49260662      0.08468897
+C      2.24652021     -0.19942581     -0.07122787
+N      2.52383909      1.21822316      0.20735285
+C      3.93328781      1.57986813      0.10170825
+C      4.83166553      0.86657594      1.03542856
+N      5.47801209      0.27608339      1.80771157
+H      0.54623197     -1.53985779     -0.16867933
+H      0.16171098      0.15593029     -0.57016091
+H      0.43018301     -0.33053865      1.12258510
+H      2.56059360     -0.39463655     -1.11081314
+H      2.83586446     -0.88087931      0.57516451
+H      2.18693905      1.45063675      1.14644430
+H      4.04797238      2.66067850      0.27428199
+H      4.28067785      1.38248858     -0.92536486 
+
+16
+-1526.8571891306087 10.973013 11.5306 -8.3439 -6.3727 -9.147 0.8727 -0.0501 1.104 8.43928 -0.50501 4.8306929376 5.8012925414 0.227370485
+C      1.69267579     -0.20999100     -0.34242186
+C      2.99357127     -0.00243913      0.43642679
+N      3.45807056      1.37196536      0.33644339
+C      4.60378260      1.56073812     -0.20737390
+N      5.12731774      2.80986047     -0.43926221
+C      4.48514894      3.99768882      0.10191595
+H      1.31241783     -1.23263464     -0.20209282
+H      1.85105799     -0.04393929     -1.41798495
+H      0.92487056      0.49815370     -0.00029044
+H      3.75798489     -0.72900700      0.08372730
+H      2.80900459     -0.22600236      1.50220601
+H      5.25643902      0.74012119     -0.56600604
+H      6.12673135      2.85068678     -0.60483430
+H      3.44257355      4.03560298     -0.24013916
+H      5.01500938      4.88617493     -0.26169830
+H      4.47242394      4.00191107      1.20522452 
+
+16
+-1498.2565898907199 11.021121 11.16495 -8.0459 -6.1242 -8.715 1.1235 -0.1227 0.772 8.04423 -0.22795 4.6079272914 5.119877884 0.278810473
+C      2.33869467     -0.96330480      0.59238515
+C      1.74553768      0.43718689      0.50891710
+N      2.73938309      1.45184303      0.12344159
+C      2.23215979      2.69954297     -0.42673125
+N      3.82211616      1.47112752      0.93629371
+C      4.57331936      2.52052835      1.02262072
+H      1.55588415     -1.68132912      0.87524908
+H      3.13936455     -1.00202588      1.34075018
+H      2.75857909     -1.26604604     -0.37754037
+H      1.27145229      0.70933928      1.47373297
+H      0.95751670      0.46484112     -0.25813574
+H      1.33172278      2.48970303     -1.01513859
+H      2.97949468      3.15359614     -1.09500839
+H      1.98570037      3.43574451      0.36477176
+H      5.45299318      2.43209114      1.66128450
+H      4.40668144      3.46675186      0.49368758 
+
+14
+-1354.0165417954906 10.374958 10.81412 -8.6351 -6.6234 -10.18 1.6177 -0.1053 0.868 9.67709 -0.2311 4.8773116736 6.7054232506 0.434816799
+C      0.94278399      0.26487872     -0.50773867
+C      2.25536129      0.02360118      0.16001946
+N      3.20039759      0.88465239      0.08368860
+N      4.37858391      0.44119194      0.80539882
+C      5.58705497      0.97529018      0.12001628
+C      5.08464895      1.63501359      1.34555839
+H      0.72647327     -0.53742028     -1.23034989
+H      0.94248483      1.23023276     -1.02785960
+H      0.12731770      0.25039582      0.23215946
+H      2.40276119     -0.91185123      0.72404364
+H      5.40835375      1.48418981     -0.82880014
+H      6.44813906      0.30654674      0.15782463
+H      5.56598755      1.46486266      2.30964991
+H      4.56759196      2.58820573      1.22207910 
+
+14
+-1378.375626281306 9.764325 10.33783 -9.0827 -7.1024 -10.073 0.9457 -0.0411 1.059 9.34222 -0.43012 4.8697609262 12.8256201826 0.322211079
+C      1.45325142      0.15880631      0.57791159
+C      2.13180310     -0.14211538     -0.73761789
+N      2.44283491     -1.29685442     -1.20839643
+N      2.34927159      1.01075423     -1.51984959
+C      3.47402805      1.04987640     -2.44104778
+C      3.46948635      1.90989128     -1.21264159
+H      2.06856567      0.83850146      1.18604535
+H      1.27447248     -0.75850247      1.15034631
+H      0.49441348      0.66616917      0.40081470
+H      2.13907445     -2.03131115     -0.55738646
+H      3.26327777      1.49942488     -3.41350378
+H      4.12457259      0.17251796     -2.44783846
+H      4.14575371      1.61635991     -0.40408481
+H      3.25313444      2.97832182     -1.28367117 
+
+14
+-1375.4921806910402 11.3951 11.50498 -8.7787 -6.8391 -9.304 0.8215 -0.8539 0.378 8.91742 0.33273 4.5031963172 5.5741377908 0.695660598
+C      0.76454321      0.19488575     -0.03576848
+C      2.24206082      0.02290518     -0.10504883
+N      3.03728687      0.90900245      0.38313377
+N      4.39450397      0.54440598      0.20852191
+C      5.18979565      1.43136847      0.69501962
+C      6.66730707      1.25949751      0.62529307
+H      0.30443209     -0.64670672      0.50603599
+H      0.32886398      0.18799038     -1.04755053
+H      0.50431901      1.13485688      0.46507537
+H      2.65421701     -0.88092448     -0.58344181
+H      4.77772322      2.33588527      1.17218920
+H      6.92738876      0.31807253      0.12711103
+H      7.10370818      1.26966473      1.63672606
+H      7.12684015      2.09949608      0.08051363 
+
+16
+-1501.7095354959479 11.196434 11.44797 -7.8434 -5.9166 -8.554 0.9412 -0.0323 0.914 7.93748 -0.3051 4.7324464312 13.4275474154 0.272986215
+C      1.08476288      0.33092214     -0.63294214
+C      2.52662853      0.18218446     -0.25882023
+N      3.24857668      1.23691979     -0.06750232
+N      4.54436133      1.13637340      0.35885553
+C      5.22642910     -0.14676212      0.29592709
+C      5.33753064      2.29335925     -0.03911366
+H      0.85932026     -0.20068981     -1.57155258
+H      0.83303902      1.39185582     -0.75621365
+H      0.42524300     -0.09840027      0.13959432
+H      2.91361514     -0.84009562     -0.13373731
+H      4.74363553     -0.87357121      0.96598590
+H      6.26123868     -0.01049983      0.63207244
+H      5.23470836     -0.57067482     -0.72958115
+H      4.72417668      3.19075918      0.10073438
+H      5.65687163      2.24744931     -1.09924205
+H      6.23131254      2.36194034      0.59643541 
+
+14
+-1396.1538807738232 11.3082 10.99021 -8.0471 -6.142 -8.716 1.372 -0.2222 0.636 8.00826 -0.11095 4.8976825734 5.2581966656 0.478213138
+C      0.80460216     -0.61316378      0.12682607
+C      2.13731193     -0.05430759     -0.31168292
+N      3.19153980     -0.73220283     -0.62116642
+N      2.24016375      1.32785871     -0.39098452
+C      1.27442940      2.28332757     -0.11755748
+C      1.45187144      3.61402256     -0.21548319
+H     -0.00024362     -0.31799924     -0.56227730
+H      0.53117174     -0.25934007      1.13182391
+H      0.85434485     -1.70742475      0.14884386
+H      3.00548731     -1.73559156     -0.52841025
+H      3.16315536      1.64275699     -0.69152397
+H      0.31246351      1.87794887      0.19779938
+H      2.40052249      4.05305045     -0.52775037
+H      0.63252987      4.28806466      0.02060319 
+
+12
+-1213.246294800796 10.963975 10.60259 -8.3409 -6.3697 -8.657 0.7423 -0.8883 0.082 8.22713 0.43406 3.9851952078 11.2810645876 0.571050778
+C      0.97584433      0.03128062     -0.01396289
+C      2.48436109     -0.04270401     -0.04446137
+N      3.15753883     -1.15984248     -0.10648329
+N      2.44573780     -2.31628004     -0.19712938
+C      3.22703888      1.17048050     -0.01168091
+C      3.78091123      2.25442793      0.02797088
+H      0.63738120      1.07193095      0.01232954
+H      0.56634935     -0.47762806      0.87625061
+H      0.54548316     -0.45573149     -0.90413864
+H      3.01483590     -3.11378714      0.07444198
+H      1.50291237     -2.33366642      0.20552625
+H      4.29613584      3.19237962      0.05515723 
+
+16
+-1507.7336498550792 11.343298 11.83853 -8.1118 -6.1169 -8.909 1.1635 0.0365 0.852 8.3792 -0.2628 4.8873173438 5.3805956448 0.271117406
+C      1.14291162     -0.31212781     -0.85959811
+C      2.24735917     -0.23970688      0.18731551
+N      3.11767279      0.90971909     -0.06685028
+N      4.23712960      0.95179834      0.72247033
+C      4.76564052      2.09591979      0.98359972
+C      6.04118416      2.19797637      1.75561683
+H      0.50167377     -1.18495996     -0.67643500
+H      1.56467530     -0.39324975     -1.87118070
+H      0.49847682      0.58054528     -0.82813583
+H      2.88621168     -1.13365837      0.14366181
+H      1.80812783     -0.20480538      1.20403866
+H      2.59891848      1.79925431     -0.10724683
+H      4.29625947      3.03398221      0.62849410
+H      6.38129767      1.19854600      2.05449148
+H      5.91293906      2.81585836      2.65901730
+H      6.83390205      2.67487841      1.15572102 
+
+17
+-1632.1902912827177 10.614346 11.5566 -8.5485 -6.5279 -10.091 0.9383 0.0234 3.011 9.42915 -2.67154 8.010487488 11.7062993718 0.143445132
+C      1.16632130      0.08739875     -0.13448373
+N      2.62432097      0.05789684     -0.08387443
+C      3.31412086     -0.63811793     -1.17793470
+C      3.41583624      0.85169056     -1.05177382
+C      2.73985078      1.72951802     -2.08910506
+C      4.67038203      1.45692952     -0.45153467
+H      0.80050832      0.98692521      0.38263726
+H      0.78472206     -0.79056422      0.40767716
+H      0.73176155      0.06836847     -1.15257564
+H      2.69910281     -1.02527036     -1.99972422
+H      4.14951787     -1.28194274     -0.88642988
+H      1.86237021      1.25528326     -2.54547406
+H      3.44712102      1.96216389     -2.89938930
+H      2.42309391      2.68641765     -1.64393190
+H      5.08618861      0.79394377      0.31788455
+H      4.44626543      2.42700382      0.01964575
+H      5.43497601      1.62521548     -1.22592330 
+
+15
+-1487.5574584749065 10.989854 11.58226 -8.8226 -6.7934 -9.338 1.4254 -0.0475 1.23 8.86181 -0.65458 6.4725775426 6.4725775426 0.515728758
+C      1.06334609      0.28687103     -0.38214136
+N      2.42091945     -0.00173969      0.07260585
+C      3.08536271     -1.12013224     -0.58752316
+C      3.48952752      0.29499199     -0.90376427
+C      4.73842895      0.89083043     -0.39035648
+C      5.52085566      1.72424192     -1.08895764
+H      0.83320171      1.34383648     -0.18530861
+H      0.35539826     -0.33293941      0.18790436
+H      0.90908686      0.08738800     -1.46261385
+H      2.54126998     -1.65698525     -1.37328938
+H      3.72440991     -1.73901671      0.04785170
+H      3.16258253      0.65844032     -1.88706884
+H      5.00757013      0.60791272      0.63255139
+H      5.26557628      2.02675643     -2.10756675
+H      6.44136397      2.12906397     -0.66772296 
+
+13
+-1328.5317885294485 10.410183 11.2135 -9.1403 -7.068 -9.612 0.9814 0.0215 2.181 9.25552 -1.76552 4.3562233128 10.5822918902 0.283980899
+C      1.13414434     -0.02308469     -0.06159000
+N      2.59377703     -0.06304152     -0.00316364
+C      3.25479798     -0.71347650     -1.12835154
+C      3.27629960      0.78708456     -1.00457914
+C      4.45026801      1.51161551     -0.60325844
+C      5.44809598      2.13268050     -0.29761702
+H      0.77299342      0.82541382      0.53615342
+H      0.73762109     -0.94986890      0.37748124
+H      0.73618540      0.07429083     -1.09239087
+H      2.63310860     -1.12325493     -1.93276692
+H      4.15738412     -1.27777436     -0.88616706
+H      2.62623142      1.31702713     -1.71218797
+H      6.32535302      2.67691856     -0.01389207 
+
+16
+-1504.1315259673788 10.276724 11.2112 -8.9482 -6.8205 -10.409 0.9573 -0.0086 3.263 9.76295 -2.92738 8.4680206252 11.878912681 0.179242465
+C      1.16960044     -0.09110865      0.01166903
+N      2.62828255     -0.07777131     -0.06098714
+C      3.20597422     -0.62196954     -1.29656689
+C      3.20871378      0.85157465     -1.03243969
+C      4.46170097      1.59306366     -0.62411247
+N      5.15572844      2.09949334     -1.81862532
+H      0.83532745      0.69549953      0.70380029
+H      0.83584185     -1.06138950      0.40791090
+H      0.67758180      0.07376993     -0.96884023
+H      2.51724557     -0.99184759     -2.06414504
+H      4.12077055     -1.20799630     -1.16853129
+H      2.50792187      1.43921612     -1.63969572
+H      5.06406118      0.92366603      0.02069594
+H      4.17706684      2.46149046     -0.00683974
+H      5.53319388      1.31417624     -2.35596071
+H      5.95745861      2.66899293     -1.54064192 
+
+12
+-1238.4785884444937 9.16373 9.9943 -9.9087 -7.8041 -11.012 0.795 -0.2598 1.287 10.43549 -0.91184 5.339395097 11.1372656248 0.295925524
+C      1.13022303     -0.01745515     -0.06479902
+N      2.59059201     -0.07670907     -0.00639349
+C      3.25512957     -0.71744229     -1.13263632
+C      3.28239669      0.77951940     -0.98597407
+C      4.46570649      1.47627907     -0.54491164
+N      5.42988214      2.04680186     -0.21710060
+H      0.78130741      0.82909005      0.54177360
+H      0.72684745     -0.94369784      0.36712415
+H      0.73566424      0.09311839     -1.09457430
+H      2.64060336     -1.10170741     -1.95440869
+H      4.15104322     -1.29215803     -0.89163548
+H      2.66641440      1.34499103     -1.69452415 
+
+13
+-1397.8735954031386 10.158048 10.24044 -7.9521 -6.037 -7.973 0.8734 0.0004 1.117 7.48818 -0.54689 4.8373509858 12.2868142224 0.480409795
+C      0.97669336      0.01220803     -0.00846606
+N      2.42980945     -0.00396704      0.00079184
+C      3.24622846      1.10824559      0.00426299
+C      4.56286273      0.67913928      0.01019303
+C      4.54258363     -0.74395621      0.00999032
+C      3.21462297     -1.13823161      0.00399610
+H      0.63127729      1.05210912      0.00231523
+H      0.57393130     -0.49830338      0.87822529
+H      0.58446656     -0.47664246     -0.91205635
+H      2.81950553      2.10645667      0.00245582
+H      5.43877405      1.32091198      0.01462180
+H      5.40065667     -1.40967929      0.01416892
+H      2.76284798     -2.12542069      0.00188105 
+
+17
+-1651.340371296169 10.610409 11.32507 -8.2669 -6.2328 -9.667 1.0027 0.0632 3.381 8.88714 -3.11013 7.8016702668 12.17976471 0.175920945
+C      1.07627636     -0.00727963     -0.12246603
+N      2.50695409     -0.04126357      0.12425022
+C      2.99655015      1.08706743      0.92042039
+C      4.42889095      0.67291291      1.29819532
+C      4.39782006     -0.88253316      1.26391621
+C      2.95060030     -1.22212831      0.86933676
+H      0.77899709     -0.87755010     -0.72562480
+H      0.81442786      0.90024519     -0.68574948
+H      0.47825296     -0.01646655      0.81806730
+H      2.37977970      1.22616159      1.84039275
+H      2.94694562      2.02130330      0.34062119
+H      5.14885600      1.06048808      0.56491502
+H      4.71475620      1.06683864      2.28287993
+H      5.10304972     -1.26622513      0.51412111
+H      4.66623952     -1.33036505      2.23037158
+H      2.86435742     -2.12729436      0.24896948
+H      2.32784599     -1.37727129      1.78293305 
+
+15
+-1507.5917012988177 10.388028 10.72893 -8.1037 -5.9966 -8.693 0.981 0.0726 1.458 8.38695 -0.83672 5.843956124 11.4653201822 0.258646552
+C      1.19658714     -0.00536114      0.40659965
+N      2.47723008     -0.00799303     -0.27313741
+C      2.73685940     -1.19238412     -1.10663283
+C      3.67795055     -0.66939222     -2.15691128
+C      3.68632792      0.66883590     -2.14603351
+C      2.75177946      1.18642758     -1.08729796
+H      1.12122127      0.87668650      1.05950408
+H      1.10945546     -0.89736704      1.04436221
+H      0.32753941      0.00634587     -0.29056363
+H      1.81161718     -1.59190455     -1.58904929
+H      3.16069298     -2.01403996     -0.50205482
+H      4.23280826     -1.31314030     -2.83893740
+H      4.24931107      1.31657678     -2.81755678
+H      3.18572180      1.99278495     -0.46949633
+H      1.83165801      1.60520476     -1.56308469 
+
+12
+-1269.0527282106923 9.315407 9.49547 -8.9661 -7.0508 -9.091 0.8821 0.0112 0.513 8.43066 0.00591 4.9932633808 12.8167675822 0.437209222
+C      1.00099015     -0.00891159     -0.00733766
+N      2.45251874      0.03868792      0.00132259
+C      3.25451770      1.14222237      0.00373095
+C      4.56391041      0.68281331      0.01041313
+C      4.44272966     -0.72351068      0.01157243
+N      3.15889692     -1.11662079      0.00570551
+H      0.61288327      1.01542647     -0.00013451
+H      0.63762732     -0.54342048      0.88006537
+H      0.64655365     -0.52747766     -0.90785113
+H      2.83951059      2.14537649      0.00060974
+H      5.46887670      1.28107480      0.01435213
+H      5.22954489     -1.47329014      0.01643145 
+
+14
+-1380.3187583773677 9.876256 10.04109 -7.9886 -6.0387 -8.82 1.4014 -0.0364 0.758 8.29076 -0.15372 5.0340671734 12.0454754734 0.197070283
+C      1.13342371     -0.00742454     -0.05435023
+N      2.44557616     -0.11160847      0.56208613
+C      3.32043838     -1.19977188      0.06915607
+C      4.71634734     -0.68404674      0.44421705
+C      4.43093118      0.80063236      0.47280799
+N      3.17024552      1.07900303      0.53519030
+H      0.54684623     -0.90281538      0.19360932
+H      1.19059356      0.08531723     -1.15808686
+H      0.62292655      0.87438851      0.35003070
+H      3.22048530     -1.29324646     -1.03323767
+H      3.05252856     -2.15805628      0.53267817
+H      5.50079292     -0.97722119     -0.26562106
+H      5.02386965     -1.03102807      1.44750934
+H      5.17029494      1.59798789      0.53826076 
+
+12
+-1277.3435115303116 9.233917 9.39951 -8.5844 -6.5471 -8.343 0.735 -0.1578 0.823 7.90372 -0.16913 4.7578759598 6.5784615866 0.361314383
+C      0.97184724      0.00188144     -0.00833773
+N      2.42845495      0.01131578     -0.00007927
+C      3.25073033      1.12428639      0.00322615
+C      4.53975919      0.63462692      0.00871639
+N      4.53615581     -0.74394999      0.00886911
+C      3.25647146     -1.08358316      0.00324999
+H      0.60732250      1.03457251      0.00368057
+H      0.58257365     -0.51630450      0.87852516
+H      0.59149899     -0.49275093     -0.91247368
+H      2.84617792      2.13096600      0.00165326
+H      5.46682435      1.20120048      0.01303675
+H      2.86510360     -2.09813093      0.00160331 
+
+16
+-1506.9877695417133 10.290337 10.89437 -8.4157 -6.3397 -9.807 0.9499 0.0097 3.278 9.06687 -3.02106 7.8830670758 10.7968496632 0.094318207
+C      0.98891093      0.00303824      0.05544663
+N      2.43724989     -0.00153282      0.07675653
+C      3.12994060      1.01206627      0.90918069
+C      4.20746224     -0.04652284      1.25243610
+N      5.40881596      0.09278676      0.43665309
+C      3.12437455     -1.08530275      0.81707226
+H      0.62158009     -0.86401117     -0.51345254
+H      0.62556342      0.91208142     -0.44678976
+H      0.54098791     -0.03412788      1.07491717
+H      2.54529518      1.30992683      1.80471539
+H      3.46752312      1.91328148      0.37307011
+H      4.50397223     -0.09643409      2.30857927
+H      5.14559814      0.08943315     -0.55358093
+H      6.02441330     -0.71216043      0.57776928
+H      3.44776173     -1.94239528      0.20271233
+H      2.53812070     -1.45426689      1.68649437 
+
+14
+-1395.710253445706 9.661501 9.9727 -8.2423 -6.2175 -9.062 0.8704 -0.1152 0.96 8.37215 -0.36273 5.0967420964 12.7010142526 0.239871893
+C      1.11723311     -0.01128699     -0.23144078
+N      2.56799423     -0.02619117     -0.26989577
+C      3.28586700     -1.20222626      0.25222005
+C      4.69729663     -0.61103759      0.48691302
+N      4.51274608      0.85574232      0.57609399
+C      3.32053134      1.06970642      0.13881927
+H      0.70998751     -0.76117110     -0.92458774
+H      0.75215661      0.97443027     -0.54963077
+H      0.72223834     -0.22419080      0.78169833
+H      3.26660305     -2.03626024     -0.46360102
+H      2.81521014     -1.53942240      1.19814379
+H      5.36553223     -0.82658807     -0.36470535
+H      5.18192483     -0.99917199      1.39309406
+H      2.89065890      2.07000760      0.03269892 
+
+17
+-1635.704698077146 10.750018 11.94605 -8.6501 -6.5074 -9.909 0.9866 0.096 3.366 9.20995 -3.05653 8.040306121 11.8122454088 0.260703655
+C      2.87552101     -1.10988264     -0.47265660
+N      2.36175143      0.12709776      0.11758355
+C      3.34879586      1.17647845      0.17876134
+C      3.46700723      2.09376529     -1.02052378
+C      2.87153601      2.60408259      0.27451581
+C      3.61311134      3.61311886      1.12161655
+H      2.09357195     -1.88175728     -0.44587563
+H      3.78057077     -1.51236836      0.02892487
+H      3.13316576     -0.92772774     -1.52680217
+H      2.00786029     -0.06229357      1.05858035
+H      4.29625602      0.95105211      0.69703575
+H      2.78429190      1.90160177     -1.84885327
+H      4.46108404      2.44588752     -1.30180462
+H      1.78315491      2.70727144      0.26267103
+H      4.69806676      3.43143266      1.09721905
+H      3.29104713      3.57093792      2.17383396
+H      3.44232758      4.63856324      0.75932381 
+
+16
+-1507.341919546043 10.32537 11.20785 -8.6851 -6.5 -9.9 0.9057 -0.0284 3.459 9.49416 -3.48453 7.9875624766 12.0770175118 0.208725428
+C      2.91117916     -1.12139175     -0.47674519
+N      2.37154231      0.09024235      0.14394707
+C      3.32825762      1.16216106      0.23399844
+C      3.46540362      2.07786458     -0.97167797
+C      2.81675172      2.59182493      0.28307199
+N      3.44668890      3.65717936      1.03384678
+H      2.14223908     -1.90679061     -0.47862423
+H      3.81867050     -1.52190016      0.02102208
+H      3.17362141     -0.90465237     -1.52300565
+H      2.01256694     -0.13037334      1.07616505
+H      4.26641865      0.97649265      0.78524300
+H      2.82238124      1.87324763     -1.82805790
+H      4.46291851      2.44732269     -1.21828731
+H      1.72801446      2.68230623      0.23837542
+H      4.45918857      3.64336275      0.89435824
+H      3.28607731      3.53099398      2.03703016 
+
+17
+-1636.02215342559 10.63574 11.58271 -8.581 -6.4571 -9.979 0.9956 0.0708 3.241 9.25787 -3.02099 8.0602306712 13.4901975412 0.100543076
+C      2.15153225     -0.49849698     -1.33992942
+N      2.28720681      0.09531482     -0.00974613
+C      3.11757550      1.29059736     -0.00689978
+C      2.47029082      2.61214553     -0.50987026
+C      3.18106691      3.34798981      0.65888836
+C      3.35212631      1.97397494      1.36239515
+H      1.57647531     -1.43202109     -1.27096747
+H      3.11911168     -0.71783149     -1.84041134
+H      1.59005985      0.18885774     -1.99094538
+H      2.70102484     -0.59200469      0.62651351
+H      4.08946626      1.13583480     -0.52825392
+H      1.38150325      2.57118005     -0.35777443
+H      2.68650853      2.94076234     -1.53570221
+H      4.14762848      3.77018704      0.34870516
+H      2.61489743      4.12381521      1.19094744
+H      4.29569493      1.76930337      1.88725942
+H      2.50614084      1.76115123      2.03295130 
+
+17
+-1634.421128884971 10.587713 11.51342 -8.3697 -6.2978 -9.676 0.9601 0.0289 3.247 9.02734 -2.90468 7.6666867086 11.2554738772 0.208316364
+C      2.26133937     -0.75490450     -1.36838915
+N      1.84223917      0.32959069     -0.47755001
+C      2.93543444      1.12960566      0.04962048
+C      3.69150036      0.45373005      1.17712021
+C      3.70889993      2.06285050     -0.87508012
+C      2.71460181      2.61449278      0.13323647
+H      2.91948778     -0.43042037     -2.20062388
+H      1.36915539     -1.23361071     -1.79472583
+H      2.80055973     -1.52378516     -0.79570101
+H      1.18515659      0.93854681     -0.96794302
+H      4.48429973      1.10817608      1.56449845
+H      4.17023328     -0.47787224      0.83863578
+H      3.00449550      0.20594729      1.99952816
+H      3.42019452      2.08553166     -1.92756788
+H      4.77292078      2.22663212     -0.69382355
+H      3.09891643      3.14168886      1.00788502
+H      1.77330518      3.01540049     -0.24980011 
+
+16
+-1501.2919200196254 10.119611 10.8527 -8.5371 -6.328 -9.888 0.8808 -0.0773 3.291 9.35485 -3.01926 7.985504309 11.8652246266 0.100158894
+C      2.21291999     -0.53172970     -1.37943526
+N      2.32186990      0.05124329     -0.04237019
+C      3.14486011      1.24998415     -0.01870640
+C      2.49286480      2.56724700     -0.51078536
+N      2.95049191      3.29059450      0.72738897
+C      3.30663850      1.96384934      1.34148884
+H      1.63747027     -1.46618500     -1.32944400
+H      3.19018643     -0.74527633     -1.86275916
+H      1.66225282      0.15982375     -2.03550373
+H      2.72234113     -0.64050880      0.59706419
+H      4.13365614      1.10631309     -0.50995254
+H      1.39304486      2.49692139     -0.52947945
+H      2.84805936      2.98911728     -1.46210532
+H      3.81258355      3.80013731      0.51584132
+H      4.29324134      1.91345915      1.82436793
+H      2.53253888      1.65616958      2.06335015 
+
+17
+-1633.6637038307108 10.725862 11.90285 -8.646 -6.4747 -10.065 0.999 0.0892 3.321 9.34417 -2.98849 8.1516827448 11.4166432786 0.325507543
+C      1.07935028      0.12591930     -0.57756895
+N      2.52830172     -0.02843480     -0.48517787
+C      3.14841304      0.97495808      0.38036294
+C      4.65166350      0.83717549      0.39457977
+C      5.48171076      1.53714843     -0.66055627
+C      5.51111438      2.01751817      0.77262024
+H      0.67330303     -0.60358479     -1.29181223
+H      0.74699504      1.14066710     -0.88684209
+H      0.62649840     -0.08367348      0.40444435
+H      2.94192262      0.04719564     -1.41843928
+H      2.74973204      0.82821461      1.40060802
+H      2.88249827      2.01946916      0.09012928
+H      5.00702435     -0.14694199      0.71058076
+H      4.95707262      2.16066654     -1.38783337
+H      6.36202287      1.02681740     -1.05245447
+H      6.40965651      1.83220834      1.36153495
+H      5.00673056      2.95824679      1.00028421 
+
+17
+-1629.610969561837 10.779267 11.67048 -8.3255 -6.3226 -9.626 1.0334 0.1281 3.539 8.8292 -3.56591 7.6571025908 11.3903334494 0.424791157
+C      1.21239044      0.17154586      0.17532459
+N      2.62765663      0.00229205     -0.14635770
+C      2.80526570     -0.73157410     -1.39736306
+C      3.31627739      1.26916457     -0.17635834
+C      3.78927883      1.85197130      1.13034884
+C      4.78876374      1.28544501      0.14355446
+H      1.11405964      0.69406361      1.13689862
+H      0.73351331     -0.81441202      0.26592278
+H      0.65860463      0.75394635     -0.59456226
+H      2.33441435     -1.72208925     -1.31472877
+H      3.87748157     -0.87282430     -1.59152068
+H      2.35934560     -0.21033969     -2.27374829
+H      2.97380216      1.99177383     -0.93807074
+H      3.59486149      1.26023746      2.02517500
+H      3.73921456      2.93284454      1.26303474
+H      5.43006540      1.97442386     -0.40639174
+H      5.24110457      0.32713092      0.39983254 
+
+16
+-1502.5259599637213 10.206864 11.2272 -8.7665 -6.5549 -10.161 0.9727 0.0406 3.224 9.45376 -2.90849 8.1747193436 11.6187404586 0.20513421
+C      1.19350677      0.04365489     -0.40672845
+N      2.65362975      0.06767147     -0.44678933
+C      3.22328705      1.10624986      0.41090695
+C      4.73149337      1.10016162      0.33159482
+C      5.46296322      1.93848608     -0.66080372
+N      5.40651356      2.34175796      0.76235840
+H      0.81660418     -0.70980191     -1.11227799
+H      0.71417212      1.01727046     -0.64509763
+H      0.86174953     -0.24991306      0.60148731
+H      2.96329065      0.22958588     -1.40879829
+H      2.91372897      0.89428346      1.44973822
+H      2.86032484      2.13160250      0.17772858
+H      5.19675098      0.14441660      0.59527503
+H      4.89945610      2.59137721     -1.33354308
+H      6.40236827      1.55568493     -1.06731736
+H      6.29317063      2.10769205      1.21918654 
+
+17
+-1629.8333835405851 11.363414 11.97076 -8.3434 -6.3441 -9.547 1.6113 0.0083 1.369 9.03011 -0.80606 6.6953927832 6.6953927832 0.410378894
+C      0.94247067     -0.64280212      0.25936240
+N      2.21908703     -0.30208755     -0.36279324
+C      2.70161833     -1.40338879     -1.18800579
+C      2.12485489      0.93696475     -1.14309800
+C      1.90921822      2.14795966     -0.28060930
+C      0.95182373      3.06163252     -0.47320235
+H      0.59830352      0.18881238      0.88827754
+H      1.06886097     -1.53034852      0.89586922
+H      0.14600400     -0.86204514     -0.48873387
+H      2.81493340     -2.30548330     -0.56954855
+H      3.68551666     -1.15175523     -1.60959599
+H      2.01543045     -1.65034738     -2.03048991
+H      1.32899679      0.88176130     -1.92331459
+H      3.08519428      1.05417978     -1.67564377
+H      2.61902852      2.26477946      0.54592738
+H      0.22495640      2.96285218     -1.28387781
+H      0.86468215      3.94147600      0.16603663 
+
+15
+-1472.0457870920081 10.833084 11.63024 -8.5501 -6.5323 -9.678 0.945 -0.0338 2.381 9.4046 -1.95581 4.384640904 10.7168910918 0.52355322
+C      0.94623970      0.06212091      0.09671842
+N      2.39389395     -0.00759032     -0.06738660
+C      2.75049408     -0.76489120     -1.26437726
+C      2.95985180      1.34779713     -0.09771821
+C      4.42038494      1.36744865     -0.09781498
+C      5.63280585      1.41278955     -0.10771607
+H      0.69968085      0.59035776      1.02930601
+H      0.53816873     -0.95603906      0.16329224
+H      0.43532833      0.58325154     -0.74511600
+H      2.35979841     -1.78818233     -1.17584932
+H      3.84334776     -0.81742524     -1.35621508
+H      2.34047445     -0.31406812     -2.19660703
+H      2.60013552      1.88367382      0.79656470
+H      2.59669646      1.92801001     -0.98051714
+H      6.70314918      1.44642691     -0.10830369 
+
+19
+-1781.0403851596823 11.130275 12.02868 -8.4574 -6.3633 -9.867 0.8923 -0.0483 3.03 9.11404 -2.70404 7.7759555704 11.975435782 0.137692568
+C      0.96548606     -0.08106606     -0.01765969
+N      2.41647702      0.09405171      0.02721453
+C      2.93616267      1.48345490     -0.03254759
+C      2.50441821      2.24378492     -1.30542872
+C      2.46646243      2.24831049      1.21564612
+C      4.46757255      1.36458113     -0.00721721
+H      0.74707457     -1.15783798     -0.04768332
+H      0.45216773      0.38983722     -0.88064138
+H      0.50761783      0.31177530      0.90176769
+H      2.83638908     -0.43135669     -0.74397408
+H      2.85080525      1.71906390     -2.20963884
+H      2.93004972      3.25856023     -1.32252883
+H      1.41118956      2.34515061     -1.36701208
+H      2.73205986      1.69155565      2.12573321
+H      1.37858167      2.40838293      1.21222005
+H      2.94405059      3.23775527      1.25787806
+H      4.79366407      0.82982457      0.89582213
+H      4.94049617      2.35693912     -0.02350419
+H      4.83078496      0.80679281     -0.88542585 
+
+17
+-1635.9058512573417 11.230671 11.82971 -8.5241 -6.4976 -9.432 1.5614 0.0181 1.332 8.95331 -0.75784 6.584214537 6.584214537 0.390273399
+C      3.08163307     -0.86144459     -0.72883058
+N      2.59457398      0.04568721      0.31068897
+C      3.11377526      1.42674269      0.21608450
+C      2.38174601      2.30269360      1.23525127
+C      4.61084370      1.49984916      0.39877894
+C      5.49992597      1.74952948     -0.57032779
+H      2.67255826     -1.86479388     -0.54604900
+H      4.18412767     -0.93782953     -0.80385922
+H      2.70241425     -0.52352767     -1.70603877
+H      2.82535203     -0.33167612      1.23489378
+H      2.86896230      1.77972328     -0.80218802
+H      2.59699365      1.96608281      2.26230417
+H      1.29668947      2.24079135      1.07655674
+H      2.70067480      3.35079817      1.15377848
+H      4.96955125      1.28015153      1.41363680
+H      5.17715928      1.97328539     -1.59104414
+H      6.57483905      1.74997712     -0.38137616 
+
+15
+-1477.840897245591 10.785224 11.68684 -8.8517 -6.7563 -9.673 0.9535 -0.0175 2.367 9.35573 -1.9319 4.3796070724 10.9257951032 0.359615399
+C      1.06197315     -0.15713646     -0.21542391
+N      2.44926824      0.00932804      0.21568657
+C      2.94993984      1.38972966      0.04339024
+C      2.44312317      2.30534821      1.17208098
+C      4.41305784      1.37886476     -0.00500252
+C      5.62600230      1.37055186     -0.04820694
+H      0.80593929     -1.22466701     -0.18754974
+H      0.85637288      0.22575133     -1.23796290
+H      0.38173631      0.35733898      0.47894770
+H      3.04972564     -0.61486763     -0.32633469
+H      2.59734801      1.81823234     -0.92430814
+H      2.78779857      1.92475857      2.14229907
+H      1.34542336      2.34016543      1.17436504
+H      2.81755279      3.32771176      1.03170291
+H      6.69622861      1.36351016     -0.08558367 
+
+17
+-1638.1817512580171 11.568959 12.58541 -8.6496 -6.5137 -9.11 1.0267 0.0949 1.438 8.59849 -0.81541 6.3593411288 6.3593411288 0.398595124
+C      1.24357063     -0.30734387     -0.23583213
+N      2.67499953     -0.22376471      0.04228473
+C      3.19374563      1.14359671     -0.07363323
+C      4.66763742      1.18725275      0.20038096
+C      5.58515235      1.65685418     -0.65612536
+C      7.05985874      1.71627824     -0.39927620
+H      0.92357906     -1.35815959     -0.20857002
+H      0.94225387      0.12436441     -1.21458548
+H      0.68712864      0.23011847      0.54809140
+H      3.18702666     -0.81921660     -0.61386323
+H      2.65996619      1.75412373      0.67894340
+H      2.98189224      1.60979409     -1.06237313
+H      4.98403634      0.78757135      1.17125959
+H      5.24354630      2.04010944     -1.62644677
+H      7.31482153      1.30764594      0.58837659
+H      7.43067153      2.75290739     -0.44771948
+H      7.61938333      1.15015807     -1.16138165 
+
+19
+-1780.3920193064023 11.322809 12.46169 -8.6416 -6.462 -10.036 0.9523 0.0261 3.143 9.32036 -2.84534 8.1355025718 11.1126048094 0.118863832
+C      1.12675640      1.91892441      1.11968486
+N      2.58451500      2.00822353      1.10831056
+C      3.17548895      1.43353021     -0.10054362
+C      4.70824199      1.52308703     -0.10369487
+C      5.28446944      0.76173141     -1.30261026
+C      5.19319912      2.97687341     -0.07996287
+H      0.73992324      2.29761956      2.07619425
+H      0.73083895      0.89174602      0.96482559
+H      0.71601036      2.55491481      0.31981252
+H      2.95540176      1.50967063      1.92208944
+H      2.78023354      1.99747309     -0.96626415
+H      2.87249237      0.37244053     -0.25642250
+H      5.06796244      1.02420952      0.81777776
+H      4.94767822      1.21284828     -2.25019976
+H      4.97109290     -0.29313464     -1.30287631
+H      6.38392010      0.78826348     -1.29645703
+H      4.91040467      3.49137833     -1.01310677
+H      6.28827770      3.02843724      0.01159246
+H      4.74242285      3.52773315      0.75596069 
+
+17
+-1638.099408122594 11.309724 12.04999 -8.7463 -6.5937 -9.222 1.0432 -0.0136 1.444 8.61071 -0.82079 6.456632943 6.456632943 0.416744843
+C      1.40514819     -0.31284968     -0.00158293
+N      2.85269297     -0.50044901     -0.06347973
+C      3.58675485      0.76779501      0.02884360
+C      5.08301597      0.55131776     -0.00809196
+C      5.66392876     -0.29190560      1.09386487
+C      5.83222255      1.09828510     -0.97785113
+H      0.90213789     -1.27923790     -0.14520078
+H      1.00452298      0.40405245     -0.75000496
+H      1.12840891      0.06115798      0.99660687
+H      3.09814155     -0.94906878     -0.95022286
+H      3.31245100      1.22703272      0.99734810
+H      3.29707135      1.49444718     -0.76085591
+H      5.49580997      0.18508561      2.07393112
+H      6.74309856     -0.44388255      0.96279114
+H      5.16238853     -1.26986704      1.13571266
+H      5.38462984      1.70945920     -1.76465678
+H      6.91505612      0.96022755     -1.00908131 
+
+15
+-1483.6890554955564 11.182027 12.74776 -8.7827 -6.6034 -9.182 0.8971 -0.0222 2.518 8.80417 -2.03196 4.178142221 10.1256142564 0.529806496
+C      0.96618096     -0.02289050     -0.05270779
+N      2.41551257     -0.00282154      0.12599423
+C      2.95864271      1.36003153      0.02316609
+C      4.41784743      1.37552411      0.02210208
+C      5.63314251      1.38657508     -0.00576220
+C      7.08854162      1.40395147     -0.02274536
+H      0.61269595     -1.06283152     -0.04964782
+H      0.61307722      0.46492802     -0.98694785
+H      0.48522864      0.49310458      0.79324402
+H      2.86192871     -0.58146530     -0.58965517
+H      2.58439176      1.93766734      0.88789370
+H      2.59365573      1.89630791     -0.88309906
+H      7.46990068      2.43608339     -0.02622617
+H      7.48484400      0.89961772     -0.91672903
+H      7.50338951      0.89747771      0.86148033 
+
+17
+-1634.9652672730213 11.418376 12.37341 -8.7627 -6.5727 -9.534 1.0298 0.0632 1.353 9.01291 -0.79662 6.6836637076 6.6836637076 0.456813985
+C      1.14561826     -0.13514373      0.54984489
+N      2.60345667     -0.06082674      0.48713865
+C      3.07872122      1.21536894     -0.04675921
+C      4.60895025      1.23441194     -0.15510627
+C      5.14350234      2.56258565     -0.60322686
+C      5.85960600      2.77280882     -1.71364622
+H      0.84098659     -1.14186003      0.86776770
+H      0.63515443      0.09803644     -0.40901643
+H      0.77551360      0.57688169      1.30387618
+H      2.95052064     -0.81603343     -0.11037897
+H      2.75015486      2.01149106      0.64469078
+H      2.63790207      1.46118153     -1.03872914
+H      4.94190300      0.44775330     -0.85380953
+H      5.01837395      0.97893634      0.83776936
+H      4.91132642      3.41572429      0.04609317
+H      6.11410888      1.95238462     -2.39012237
+H      6.21984082      3.76711931     -1.98166573 
+
+15
+-1479.2041229896824 10.878202 12.00711 -8.9223 -6.7349 -9.854 0.9317 -0.0435 2.351 9.45058 -1.95183 4.3715107866 10.6593491892 0.923530389
+C      0.97945461     -0.06206893      0.01094510
+N      2.43978681      0.00436969      0.03570265
+C      2.93999033      1.37353917     -0.05531121
+C      4.47720397      1.38625631      0.00603104
+C      5.03665929      2.73001799     -0.04541962
+C      5.48228131      3.85846535     -0.09036369
+H      0.65991079     -1.11320914      0.01070392
+H      0.51445852      0.44514089     -0.86055253
+H      0.57820815      0.40725044      0.92236869
+H      2.81104652     -0.53894460     -0.74866765
+H      2.54326998      1.94037282      0.80264828
+H      2.60565534      1.90782474     -0.97069667
+H      4.88247866      0.79440034     -0.83382460
+H      4.79859533      0.87716556      0.92915997
+H      5.87887039      4.85246937     -0.12328368 
+
+18
+-1652.1414277629415 10.976527 12.16588 -8.6725 -6.4805 -10.073 0.9856 0.0099 3.265 9.36386 -3.00407 8.1689911904 11.8845416454 0.156937365
+C      0.98336085     -0.05507878      0.00059309
+N      2.44083101      0.00288418      0.06622374
+C      2.95700843      1.36908281     -0.01467781
+C      4.48378286      1.38964620     -0.00693156
+C      5.06456419      2.80254152      0.01405951
+N      6.53429495      2.75711493     -0.04611331
+H      0.65487399     -1.10373984     -0.00816281
+H      0.54440037      0.45601884     -0.88330409
+H      0.55867824      0.41751224      0.90022409
+H      2.83444665     -0.54438441     -0.70373096
+H      2.57348929      1.92052234      0.86261132
+H      2.58183199      1.91438406     -0.91173190
+H      4.87545445      0.86479578     -0.89499333
+H      4.83664129      0.82805746      0.87493637
+H      4.66744245      3.34032191      0.90060174
+H      4.71303497      3.35582297     -0.87291503
+H      6.89739605      2.31467492      0.80297748
+H      6.91213797      3.70719287     -0.05230654 
+
+14
+-1384.3039254637272 10.97725 10.6224 -8.2708 -6.3821 -8.682 1.1349 -0.4824 0.614 7.94883 -0.095 4.919454515 5.1778289404 0.370130511
+C      1.01090682      0.01305624      0.01001890
+N      2.46580716      0.00538147     -0.05380791
+C      3.11965956     -1.21965197     -0.10450782
+C      2.53699723     -2.43380630     -0.10305924
+C      3.15628857      1.22494858     -0.06413118
+N      4.41013211      1.48335670     -0.11882021
+H      0.65871080      1.04972011      0.04625278
+H      0.65733549     -0.51342740      0.91044062
+H      0.57882247     -0.47755892     -0.87631031
+H      4.20661236     -1.14003547     -0.14796795
+H      1.45925874     -2.58149374     -0.06132695
+H      3.16422105     -3.32132265     -0.14549214
+H      2.46004400      2.07332664     -0.01534622
+H      4.99560363      0.63899670     -0.16323237 
+
+18
+-1646.340036316056 10.970926 11.82207 -8.3125 -6.2538 -9.728 0.9452 -0.0193 3.434 8.95252 -3.16588 7.7584611458 12.2888847886 0.174396175
+C      0.88996147     -0.34464393      0.07571607
+N      2.30169844     -0.01213192     -0.09781563
+C      2.91496638     -0.91276593     -1.06919495
+C      2.49406086      1.38499413     -0.49551210
+C      2.15270690      2.38883846      0.60927111
+N      2.51086045      3.74466329      0.16413791
+H      0.44267504      0.26549814      0.87158334
+H      0.79743778     -1.39894141      0.37337142
+H      0.29469426     -0.19457040     -0.85441252
+H      2.80586849     -1.95297377     -0.72899100
+H      3.98871850     -0.69202410     -1.15557494
+H      2.46244390     -0.83419295     -2.08419447
+H      1.91576394      1.64511022     -1.41151590
+H      3.56074969      1.50759571     -0.75060646
+H      2.65013292      2.05980434      1.54317764
+H      1.06852916      2.38560066      0.80124868
+H      3.52925272      3.84518185      0.14222959
+H      2.17280910      4.43379763      0.83838222 
+
+16
+-1525.2326355275732 10.463585 10.96244 -8.3487 -6.4312 -9.304 0.7636 -0.19 1.125 8.45479 -0.5045 4.9249842906 12.6261515058 0.194682256
+C      1.01012023     -0.05036741      0.16843760
+N      2.41355102      0.07158317     -0.21217143
+C      3.12349396     -1.19107926     -0.34836995
+C      3.15533490      1.21108938      0.10926352
+C      2.37725088      2.49477882      0.29505124
+N      4.44376696      1.27612502      0.21236552
+H      0.49364144      0.90783981      0.05536299
+H      0.88146794     -0.39388036      1.21318558
+H      0.51582526     -0.77683535     -0.49242410
+H      2.43629972     -1.94033978     -0.76194022
+H      3.51407981     -1.57296819      0.61438109
+H      3.96359309     -1.08404388     -1.04928982
+H      1.76792631      2.47370967      1.21096513
+H      1.70654903      2.69596069     -0.55304901
+H      3.10332934      3.30895549      0.38122482
+H      4.88153010      0.35269217      0.10930703 
+
+14
+-1382.7504097991555 9.663167 10.47648 -9.1539 -7.0588 -10.284 0.7707 -0.3086 1.463 9.50177 -1.08742 5.4038802156 12.039226579 0.261327604
+C      0.91065323      0.08786256      0.07025408
+N      2.36468986      0.02969220     -0.05401479
+C      2.76969599     -0.72839422     -1.23732624
+C      2.91946782      1.38242611     -0.06421095
+C      4.38425487      1.38553661      0.00635235
+N      5.54897956      1.40672598      0.04851654
+H      0.63419733      0.61224409      0.99618901
+H      0.51418822     -0.93485606      0.12725793
+H      0.41903251      0.60179020     -0.78547069
+H      2.37512006     -1.75041302     -1.16095033
+H      3.86529508     -0.78772913     -1.28543522
+H      2.39764664     -0.27889241     -2.18433465
+H      2.54051861      1.92889152      0.81408378
+H      2.62429021      1.97040558     -0.96527080 
+
+12
+-1259.3233536192565 10.675129 10.65498 -8.3628 -6.427 -8.712 0.861 -0.7571 0.032 8.12478 0.48158 4.6848234086 4.6848234086 0.36089455
+C      0.90311062      0.01756521     -0.20299008
+N      2.33839257      0.00487458      0.03191459
+C      3.08764859      1.14219384      0.04090780
+C      4.44763517      1.20993041     -0.04607507
+C      5.13706654      2.43842998      0.04697960
+N      5.73372483      3.44695772      0.11371102
+H      0.44769696     -0.87620051      0.24214807
+H      0.64417391      0.05044788     -1.27518372
+H      0.46461491      0.89700529      0.28631797
+H      2.82422197     -0.86510401     -0.17282151
+H      2.51117186      2.06261766      0.16441392
+H      5.05169207      0.30997194     -0.18264260 
+
+18
+-1655.3204889576734 10.901583 11.67987 -8.3391 -6.2531 -9.889 0.8944 -0.0772 3.274 9.19721 -2.9782 8.0341936112 12.3805476384 0.126990001
+C      1.44942625     -0.18231921      0.75823810
+N      2.82396035      0.24940590      0.98974025
+C      3.13587684      1.57658841      0.45628716
+C      2.55713694      2.68789316      1.33401832
+C      4.66140090      1.70693397      0.35425094
+N      5.21728328      0.64847859     -0.50568703
+H      1.34557437     -1.23604140      1.05280898
+H      1.11794185     -0.08392522     -0.29931478
+H      0.74989802      0.39780211      1.37931895
+H      3.46962270     -0.39953789      0.52711532
+H      2.71834945      1.70127233     -0.57486868
+H      2.95521862      2.60890367      2.35689903
+H      1.46178454      2.62619356      1.39092109
+H      2.81179613      3.67855083      0.92870620
+H      5.08173884      1.57385435      1.36439210
+H      4.90838884      2.73387328      0.02239421
+H      6.23031794      0.58977168     -0.38966513
+H      5.05015415      0.87136189     -1.49037501 
+
+14
+-1388.411597689386 9.596057 10.50992 -9.4853 -7.3161 -10.587 0.7747 -0.2798 1.468 9.87316 -1.07207 5.4001234398 11.2154263992 0.206114456
+C      1.00422505     -0.08724346     -0.23241008
+N      2.41107858      0.02907160      0.15488292
+C      2.93483966      1.39888048      0.01460265
+C      2.45020775      2.31461506      1.15134249
+C      4.40342026      1.34856469     -0.00670077
+N      5.56851113      1.31380117     -0.04106464
+H      0.72958811     -1.14979471     -0.24245310
+H      0.77318096      0.34396491     -1.22886532
+H      0.36153800      0.40703840      0.50961921
+H      2.97342291     -0.59658062     -0.42528751
+H      2.63197468      1.85913009     -0.95450124
+H      2.74081792      1.89140786      2.12111865
+H      1.35776549      2.41077923      1.11702370
+H      2.88464950      3.31702532      1.04807305 
+
+18
+-1653.89490645759 10.841769 11.67569 -8.5773 -6.4154 -10.001 0.9424 -0.0418 3.254 9.3556 -2.95851 8.2034221026 10.8902111212 0.140520715
+C      1.31142491     -0.25890485      0.21409496
+N      2.75596618     -0.12493318      0.03720084
+C      3.18409464      1.27362255     -0.03692166
+C      4.71830385      1.39282800     -0.05318254
+C      5.33317557      1.09882678      1.32187109
+N      5.25053596      0.54465795     -1.14217529
+H      1.03062774     -1.32086254      0.17362674
+H      0.70808420      0.28888794     -0.54123852
+H      1.02588805      0.12280983      1.20669203
+H      3.01655273     -0.56653117     -0.84922866
+H      2.79252936      1.79735382      0.85155290
+H      2.77362790      1.79203712     -0.93009428
+H      4.94820163      2.43606576     -0.32951103
+H      5.06285453      0.08329195      1.64797959
+H      4.97041115      1.80614810      2.08399730
+H      6.43008263      1.17569580      1.28502803
+H      5.31945641     -0.41952560     -0.80052273
+H      6.20956255      0.82690174     -1.35595879 
+
+14
+-1390.4897867525985 9.716208 10.80707 -9.3654 -7.1407 -10.517 0.74 -0.3074 1.452 11.41367 -1.08232 5.3857286652 11.5895789514 0.278380179
+C      1.44690921     -0.39730957     -0.11876078
+N      2.88065225     -0.10339903     -0.11420593
+C      3.15872558      1.32554782     -0.02886933
+C      4.67769801      1.55508652      0.06641553
+C      5.02173104      2.96562907      0.20140120
+N      5.27771631      4.09824976      0.31227641
+H      1.29766608     -1.47753717     -0.24814685
+H      0.87616929      0.13250494     -0.90893289
+H      1.01509174     -0.11544945      0.85340312
+H      3.29965352     -0.47764751     -0.97009111
+H      2.68122732      1.71335319      0.88497381
+H      2.75009196      1.91537977     -0.87666354
+H      5.18025497      1.16239473     -0.83289544
+H      5.07832273      0.99956692      0.92795579 
+
+18
+-1645.567727778828 11.028554 12.19471 -8.5992 -6.4104 -10.079 1.0029 0.0566 3.433 9.82382 -3.16687 8.2029633544 12.4663459504 0.19883736
+C      1.01597386     -0.10630345      0.02346457
+N      2.47346416     -0.01423775      0.06521785
+C      2.95179843      1.36522640     -0.01844890
+C      4.47730447      1.42096784      0.01414170
+N      4.95540218      2.80077013     -0.06516513
+C      6.41309919      2.89261916     -0.03005068
+H      0.71299821     -1.16258848      0.01317765
+H      0.55100197      0.39955605     -0.84970334
+H      0.59547828      0.35045724      0.93312799
+H      2.86209342     -0.54468723     -0.71936121
+H      2.54937409      1.90934279      0.85603421
+H      2.58920345      1.90526883     -0.91981280
+H      4.87963620      0.87986086     -0.86223391
+H      4.84013143      0.87801844      0.91366976
+H      4.57056019      3.32734706      0.72388744
+H      6.82904702      2.44196847     -0.94483218
+H      6.88248227      2.38112075      0.83741891
+H      6.71603117      3.94884287     -0.01429194 
+
+16
+-1524.371968784671 10.775364 11.28708 -8.1751 -6.2075 -9.183 0.8306 -0.1097 1.111 8.46558 -0.45558 4.584816301 5.7750447052 0.197690005
+C      0.93645581      0.15957905     -0.60146967
+N      2.22406338      0.24222294      0.07403556
+C      3.03946537      1.37039350      0.00799058
+C      2.31735868      2.69699314     -0.07637948
+N      4.31320688      1.18201536      0.07311419
+C      5.21057124      2.32371250      0.13948637
+H      0.46798398     -0.79920185     -0.34526529
+H      1.00464777      0.22613096     -1.70408061
+H      0.26229423      0.95294215     -0.25173149
+H      2.79488608     -0.60204961      0.01939245
+H      1.47242010      2.73283567      0.62565457
+H      1.91403035      2.86091809     -1.08763944
+H      2.99501162      3.52600606      0.15314595
+H      6.24424306      1.95557440      0.19998839
+H      5.04013709      2.95789815      1.02968871
+H      5.14940436      2.97668951     -0.75055080 
+
+14
+-1362.9770226260957 10.304503 10.83925 -9.4029 -7.3192 -10.164 1.3918 -0.1637 0.999 9.61069 -0.40098 4.6341999248 6.7835964236 0.282928338
+C      1.10271789      0.19448785     -0.02259266
+N      2.35755975      0.32864081     -0.73764751
+C      3.34316698      0.80524183     -0.09788095
+N      4.61142457      0.96854462     -0.72119067
+C      5.75279746      0.70086767      0.19193029
+C      5.40143843      2.09371589     -0.16305643
+H      0.78947663     -0.86047588     -0.04239370
+H      0.32472884      0.76415996     -0.55323686
+H      1.14066748      0.53615249      1.03080645
+H      3.27279613      1.11877078      0.97393748
+H      6.59449999      0.19763315     -0.28653633
+H      5.52113774      0.36724529      1.20854944
+H      4.93198246      2.70766237      0.61256005
+H      5.98004565      2.64198318     -0.90816861 
+
+16
+-1519.7759076587108 11.100221 11.51805 -8.0112 -6.0768 -8.877 0.8715 -0.0535 1.131 8.06542 -0.51794 4.7793255378 12.666595739 0.241146329
+C      0.96626380      0.11425089      0.26666973
+N      2.40557157     -0.02147724      0.16709233
+C      3.08048547      1.05927629      0.01815447
+N      4.44057800      1.09354979     -0.19150027
+C      5.20356317     -0.14114433     -0.11347398
+C      5.17013768      2.32765390      0.03093173
+H      0.60599670     -0.36717337      1.19050346
+H      0.47690517     -0.40829578     -0.57220571
+H      0.61256517      1.16616807      0.26468070
+H      2.61946605      2.06716205      0.01034158
+H      4.55688044     -0.97020459     -0.42166497
+H      5.55654917     -0.34206327      0.91519673
+H      6.07717864     -0.07529828     -0.77830592
+H      4.49840545      3.18478709     -0.11028999
+H      5.99543607      2.41438091     -0.69232233
+H      5.59833744      2.38581787      1.05011242 
+
+14
+-1387.3954016848425 11.925788 11.58633 -8.0184 -6.0998 -8.603 1.5447 -0.0647 0.658 7.87837 -0.11973 4.7904346834 5.1778785348 0.53060978
+C      0.98831486     -0.25915027     -0.00867134
+N      2.40075470      0.02182162     -0.17175353
+C      2.78321412      1.22652563      0.01757426
+N      4.10414918      1.60119605     -0.11675179
+C      4.58918780      2.88696772      0.06832272
+C      5.87074405      3.27036000     -0.06759934
+H      0.84863676     -1.03537908      0.76085851
+H      0.58088983     -0.66865168     -0.94704071
+H      0.38330482      0.62512335      0.27471529
+H      2.11308291      2.06136009      0.29882089
+H      4.74945765      0.85643813     -0.37848707
+H      3.81532710      3.60611180      0.34765995
+H      6.66140086      2.57237486     -0.34640204
+H      6.14525535      4.30815180      0.10239422 
+
+14
+-1388.7497116045993 10.583436 10.72837 -8.7449 -6.8496 -9.418 0.6742 -0.9952 -0.005 8.64655 0.42416 4.7090750702 5.5705793926 0.324084068
+C      0.70958115      1.05579759      0.41652535
+N      2.08524361      0.60557370      0.31995666
+C      3.12891847      1.51263499      0.22675904
+N      3.02731880      2.79580995      0.06159711
+C      4.49825049      0.95071210      0.28022726
+C      4.83761777     -0.34267265      0.18269534
+H      0.05920953      0.18201480      0.54122780
+H      0.40526263      1.56887024     -0.50848315
+H      0.54105639      1.74234549      1.26633652
+H      2.30498771     -0.26822951      0.78869178
+H      2.04267011      3.09282426      0.03623856
+H      5.26526111      1.72023283      0.38797681
+H      4.10432168     -1.13665674      0.02373047
+H      5.88185055     -0.65195705      0.22954045 
+
+12
+-1228.1088544365061 10.140145 10.52746 -8.8875 -6.9957 -9.565 0.9917 -0.7474 0.246 8.75757 0.22424 4.1516216156 10.598633245 0.347470281
+C      1.04544283     -0.12954326      0.18223680
+N      2.43024494      0.12953185     -0.15578315
+C      2.95946129      1.40937739     -0.12223415
+N      2.40338100      2.48696857      0.33092394
+C      4.30377125      1.48320476     -0.64670656
+C      5.42877661      1.50521431     -1.10150454
+H      0.84105826     -1.19648704      0.03767683
+H      0.34421425      0.44993899     -0.44407154
+H      0.84775319      0.11055199      1.23890233
+H      2.92913729     -0.55453475     -0.71487137
+H      1.44850619      2.29420857      0.66161106
+H      6.42371291      1.55576864     -1.49473965 
+
+14
+-1357.0067354419461 10.33339 10.32873 -8.1824 -6.2237 -8.853 1.3255 -0.1185 0.76 8.236 -0.20432 4.7298055294 5.245661681 0.293859415
+C      1.62041912     -0.20259652      0.45610268
+N      2.68080033      0.02301771     -0.24747576
+N      2.95494862      1.28469515     -0.62800804
+C      2.57740047      2.52827362      0.09556980
+C      3.89562097      3.15744812     -0.41928413
+C      4.35206878      1.72706639     -0.81540937
+H      1.40314147     -1.24046357      0.70823100
+H      0.92471875      0.58203331      0.78590910
+H      2.55701242      2.37126248      1.19108067
+H      1.62936923      2.98494783     -0.22465338
+H      3.74644475      3.81667760     -1.28248321
+H      4.50947064      3.66639722      0.33117564
+H      4.74516076      1.57631981     -1.83142952
+H      5.03706368      1.27028085     -0.08141546 
+
+14
+-1356.267181263771 10.466688 10.80005 -8.477 -6.4545 -9.073 1.4936 -0.2367 0.671 8.49663 -0.14767 4.8394091534 5.3394818872 0.335509516
+C      2.12501190     -0.32762560     -0.12125016
+N      3.38022344     -0.17561800     -0.35969445
+N      3.80161468      1.00770922     -0.88994865
+C      5.17882325      1.34635170     -0.64909365
+C      6.21834602      0.70978760     -1.53314313
+C      5.86843370      2.16844458     -1.71019533
+H      1.79423035     -1.29868183      0.24729332
+H      1.37592918      0.46656522     -0.28246906
+H      3.14755075      1.79489787     -0.77864669
+H      5.46180407      1.53285932      0.39390457
+H      5.85022739      0.00795230     -2.28050967
+H      7.17529376      0.45218504     -1.08012749
+H      6.58145101      2.92449563     -1.38209892
+H      5.27641050      2.43629695     -2.58575069 
+
+10
+-1064.1106284384991 11.381076 10.48799 -9.3433 -7.3948 -9.263 -0.477 -2.194 -0.463 8.87422 1.10886 3.8899615612 5.5648140436 0.627915088
+C      1.40615918     -0.31911920     -0.54415737
+N      2.65128546     -0.16585660     -0.26415708
+N      3.02005992      1.19536442     -0.30343237
+C      4.27893009      1.32719168     -0.01919547
+C      4.89756606      2.60017258      0.00881269
+C      5.50793545      3.65133920      0.05555865
+H      1.01045841     -1.33745494     -0.54312407
+H      0.74903289      0.52967547     -0.77874794
+H      4.89597937      0.44445607      0.20800439
+H      6.02596318      4.58805132      0.09107857 
+
+12
+-1199.0815620667222 10.561173 10.82294 -8.6828 -6.6632 -9.256 1.3462 -0.4276 0.552 8.72321 -0.02448 4.4096736774 10.7937376146 0.478850526
+C      1.14628693     -0.09177530      0.25022545
+N      2.40473097     -0.04130913     -0.01383467
+N      2.97694494      1.17080331     -0.24163703
+C      4.42011641      1.19945480      0.02168456
+C      4.99727379      2.48225433     -0.36161083
+C      5.47677913      3.55842558     -0.64938738
+H      0.69499763     -1.07741053      0.36380246
+H      0.51064782      0.80324190      0.35067176
+H      2.47423226      1.98620177      0.13440123
+H      4.87334678      0.38452297     -0.56370953
+H      4.65410101      1.00003814      1.08591705
+H      5.90538233      4.50268215     -0.91732306 
+
+16
+-1509.8789076390535 11.049246 11.46637 -7.9654 -5.9831 -8.711 0.8369 -0.0897 0.975 8.18827 -0.32234 4.8639583814 5.3540998366 0.206415825
+C      1.53251218     -0.47168519     -0.98074127
+N      2.97986691     -0.30908868     -0.89412925
+N      3.36004389      0.98068214     -0.59815638
+C      4.54668524      1.17798444     -0.11895607
+C      5.52037283      0.06498126      0.17526918
+C      4.96962031      2.59734846      0.12925701
+H      1.31568651     -1.49390613     -1.32011142
+H      1.14257291      0.23427447     -1.72493727
+H      1.00901752     -0.29187693     -0.02370090
+H      3.42210425     -1.03049650     -0.31270177
+H      5.14204555     -0.61503387      0.95984074
+H      6.48524812      0.45600390      0.51987658
+H      5.69618717     -0.54916243     -0.72423680
+H      4.16095257      3.28498258     -0.14569242
+H      5.86827823      2.85255857     -0.45708127
+H      5.22721580      2.75744391      1.18945133 
+
+14
+-1365.88078552539 12.643809 11.49975 -7.7962 -5.9226 -8.375 0.597 -0.9702 -0.197 7.87278 0.68584 4.5022540236 4.5022540236 0.553103518
+C      1.26693041     -0.32661670     -0.13405661
+N      2.69352648     -0.21760938     -0.39905391
+N      3.20483783      1.03314186     -0.33954952
+C      4.48004780      1.16903483     -0.12639848
+C      5.09021668      2.47627017     -0.12986153
+C      6.40169143      2.70185405      0.09268755
+H      0.93962483     -1.34398643     -0.38522850
+H      0.73587936      0.38392385     -0.77964722
+H      1.00163150     -0.11198385      0.91686103
+H      3.27016245     -0.95687296      0.02342306
+H      5.12659586      0.29027063      0.05865590
+H      4.41081958      3.31072993     -0.32758875
+H      7.09564377      1.88138332      0.28946861
+H      6.81373204      3.71033068      0.08329837 
+
+12
+-1204.7766685991223 11.803997 11.11418 -8.0927 -6.1758 -8.483 0.5483 -1.078 -0.027 8.0149 0.5252 3.9763302088 11.1624223842 0.282289993
+C      0.95450464     -0.12488623      0.03200951
+N      2.33608764     -0.00897263     -0.40707407
+N      2.84875926      1.23239935     -0.43974180
+C      4.14544442      1.36060290     -0.42781521
+C      4.76308245      2.62618214     -0.53686516
+C      5.37865718      3.67486165     -0.61683420
+H      0.58841540     -1.12917033     -0.21748221
+H      0.35510042      0.61609080     -0.51040812
+H      0.83001137      0.04622975      1.11587632
+H      2.96709947     -0.76222853     -0.10476465
+H      4.80855194      0.48165492     -0.34035855
+H      5.89573581      4.60878621     -0.69537185 
+
+15
+-1497.5410367801644 10.692825 11.36012 -9.011 -6.8323 -9.233 0.9491 0.0223 1.304 8.76071 -0.72696 6.392284209 6.392284209 0.407181158
+N      1.02129729     -0.06632275     -0.10582127
+C      2.46418583     -0.09716849     -0.02581014
+C      3.20391944     -0.76782031     -1.15264546
+C      3.24341382      0.73903401     -1.04203925
+C      4.45149942      1.48872537     -0.62542251
+C      5.67928563      0.98780111     -0.42926943
+H      0.64430709      0.66706733      0.49973823
+H      0.62981814     -0.95301926      0.22294994
+H      2.94601503     -0.16704147      0.95880099
+H      2.59654300     -1.17993513     -1.95884699
+H      4.10163994     -1.33533472     -0.90709294
+H      2.58193589      1.26654190     -1.73404397
+H      4.29177768      2.55887746     -0.44874622
+H      5.91127154     -0.06443456     -0.60703036
+H      6.49835027      1.62182950     -0.08832061 
+
+13
+-1342.347177629409 10.382045 11.21582 -9.1368 -6.9068 -9.357 0.9063 -0.0426 2.255 9.01159 -1.84117 4.3006775848 9.2047950316 0.473607383
+N      1.04794744     -0.04814212     -0.12647869
+C      2.48510871     -0.04633538      0.00881636
+C      3.27327493     -0.74598574     -1.05938870
+C      3.25676860      0.78008768     -1.01873781
+C      4.42524692      1.51032988     -0.62787096
+C      5.41695461      2.12673916     -0.28805898
+H      0.63612964      0.71974038      0.40913916
+H      0.65740359     -0.91764183      0.24511318
+H      2.93316493     -0.04919252      1.01044999
+H      2.70726125     -1.20621614     -1.86903774
+H      4.20162375     -1.24040971     -0.77667009
+H      2.62286848      1.25244478     -1.77254440
+H      6.28974715      2.66944154      0.01094868 
+
+16
+-1518.8179630167756 10.178841 10.92049 -8.8021 -6.6175 -10.097 0.854 -0.1276 3.093 9.62418 -2.85653 8.2146180384 10.4206017476 0.080176802
+N      0.94783031      0.01348350      0.04230022
+C      2.40854324      0.04960935      0.02081001
+C      3.10648421      1.07895610      0.94163986
+C      4.18319938      0.00439855      1.25405482
+C      3.16554861     -1.07219839      0.80260058
+N      3.68822566     -2.27827468      0.18301597
+H      0.60838746     -0.73849990     -0.56538556
+H      0.57074368      0.87988382     -0.35330763
+H      2.85037498      0.11702338     -0.99770651
+H      2.47695446      1.28485917      1.81960962
+H      3.43476590      2.02745111      0.49664478
+H      5.02908922      0.06294312      0.55147204
+H      4.57826627     -0.06269762      2.27576835
+H      2.53480323     -1.36563190      1.65792855
+H      4.15146234     -2.05537645     -0.70206368
+H      2.93865104     -2.94149915     -0.02599143 
+
+17
+-1660.5870321292857 10.382619 11.2298 -9.1766 -6.9353 -10.568 0.935 -0.0387 3.271 9.90464 -2.99255 8.6435352068 11.8977089586 0.120459416
+N      0.99966812      0.01870014     -0.09727125
+C      2.46361772     -0.00800157      0.02617377
+C      3.00231302      1.13423280      0.89775280
+C      4.42813679      0.68053317      1.25723271
+C      4.36228257     -0.87598819      1.30932382
+C      2.95922136     -1.25489806      0.77570553
+H      0.68592631     -0.77438404     -0.66353657
+H      0.71084186      0.85691234     -0.60916399
+H      2.98221349      0.03797941     -0.95716890
+H      2.36758454      1.20097269      1.79738730
+H      2.97573490      2.11334882      0.39537797
+H      5.13498193      1.00302104      0.47687881
+H      4.77830398      1.11976424      2.20193535
+H      5.15775625     -1.31813277      0.69193188
+H      4.51091863     -1.25579860      2.33014843
+H      2.97059139     -2.15618292      0.14420552
+H      2.25866717     -1.44107851      1.60615681 
+
+13
+-1375.904305724254 10.075522 10.11644 -8.4043 -6.3605 -8.311 0.6835 -0.9025 0.629 7.85909 -0.09829 4.6360721134 7.604123373 0.415617353
+N      0.86570872      0.00258842      0.12385686
+C      2.33589707      0.00121050      0.03732734
+C      2.91544959      1.18145907     -0.70568645
+C      3.77111212      0.73326380     -1.65250483
+C      3.76975926     -0.73608490     -1.65134881
+C      2.91337488     -1.18125030     -0.70377850
+H      0.55966738      0.82036563      0.65781902
+H      0.55822680     -0.81361779      0.65939900
+H      2.83764337      0.00155446      1.03823436
+H      2.68882543      2.21803028     -0.46060147
+H      4.37666645      1.34879773     -2.31772601
+H      4.37427850     -1.35375531     -2.31554042
+H      2.68491041     -2.21700158     -0.45695008 
+
+15
+-1518.964347198048 10.203457 10.57413 -9.054 -6.7824 -8.966 0.9062 -0.0507 1.484 8.48119 -0.86372 6.1703740662 6.1703740662 0.314399866
+N      1.01254241     -0.00718479      0.03408133
+C      2.48729729     -0.00935261     -0.00930157
+C      2.97097351     -1.24025640     -0.82675862
+C      3.34184482     -0.66817689     -2.17050543
+C      3.34406842      0.67097435     -2.16295030
+C      2.97506066      1.22907926     -0.81283245
+H      0.68656538      0.80778930      0.56173375
+H      0.68390963     -0.82737777      0.55190494
+H      2.94605621     -0.01578448      0.99824137
+H      2.17597288     -2.00174864     -0.89742384
+H      3.83828032     -1.73032911     -0.34998611
+H      3.59219822     -1.29063285     -3.03120102
+H      3.59647291      1.30225290     -3.01659123
+H      3.84397133      1.71089101     -0.33059172
+H      2.18256600      1.99392673     -0.87489911 
+
+15
+-1518.2985655081493 10.263643 10.61497 -9.1158 -6.863 -9.056 1.0049 -0.133 1.447 8.54852 -0.82034 6.2165092568 6.2165092568 0.321626209
+N      0.97535405     -0.01501044     -0.03015702
+C      2.46020428     -0.02557368     -0.04097192
+C      3.00590801     -1.30467121      0.64593920
+C      3.33824014     -0.89719942      2.10235737
+C      3.44312455      0.60427449      2.01891027
+C      2.98745177      1.07760362      0.85140420
+H      0.62855021     -0.62400842     -0.77765922
+H      0.63781905      0.92528240     -0.25576007
+H      2.86909996      0.06761063     -1.06741215
+H      3.92674161     -1.62481177      0.13554518
+H      2.28175940     -2.12911265      0.58680249
+H      4.26499708     -1.36797575      2.46670785
+H      2.54169826     -1.18517487      2.81004716
+H      3.82008789      1.21961620      2.83829659
+H      2.93355374      2.13297087      0.57582008 
+
+14
+-1410.135304591065 9.650524 10.07405 -8.613 -6.6257 -9.604 0.7931 -0.1562 1.156 8.82859 -0.53242 5.0771151126 6.195208462 0.180259248
+N      1.10833901     -0.03819434      0.41042106
+C      2.32606415     -0.02691369     -0.00248768
+C      3.19614840      1.22222306     -0.01019515
+C      4.42811439      0.83078205     -0.84152074
+C      4.51806333     -0.69274714     -0.64335749
+N      3.10782763     -1.06032360     -0.51169106
+H      0.70540861     -0.98477083      0.36077880
+H      3.46818141      1.45036190      1.03301847
+H      2.64131621      2.08419089     -0.39922219
+H      4.25252926      1.05027651     -1.90505376
+H      5.34773518      1.34489282     -0.53438849
+H      4.98465763     -1.20607788     -1.49683176
+H      5.09703261     -0.94121555      0.26696512
+H      2.84624215     -2.02280420     -0.31668513 
+
+10
+-1121.2209873156658 9.136109 8.74715 -10.0306 -7.9405 -9.939 -1.1831 -2.9712 -1.425 9.21549 1.74988 3.557282326 5.4773543192 0.464881609
+N      0.92803656     -0.12879068      0.00223619
+C      2.20581080     -0.01301424     -0.00134749
+C      3.06517483      1.20733218     -0.00152015
+C      4.33953378      0.76551530     -0.00622411
+C      4.25325428     -0.71870440     -0.00888431
+N      3.04054138     -1.18220230     -0.00614326
+H      0.50066953      0.81025675      0.00536483
+H      2.69725893      2.23057913      0.00159723
+H      5.25854289      1.34879346     -0.00784114
+H      5.11599702     -1.39003520     -0.01278781 
+
+12
+-1269.4421545272103 9.549424 9.50399 -7.983 -5.9659 -8.52 0.7583 -0.168 0.829 7.98738 -0.32089 5.0052776242 11.9863961444 0.258023372
+N      1.09760760      0.00641843      0.33956646
+C      2.34310762      0.02057163      0.02788714
+C      3.22436070     -1.22251186     -0.10438753
+C      4.57662213     -0.67714756     -0.48856633
+C      4.48861249      0.66354194     -0.56162852
+N      3.18819518      1.09991589     -0.25895004
+H      0.70459159      0.95684011      0.37097051
+H      2.79740761     -1.90352471     -0.85735829
+H      3.23184570     -1.77625780      0.84775842
+H      5.46818083     -1.26788071     -0.67260401
+H      5.25609868      1.39349074     -0.80876506
+H      2.88802986      2.06784389     -0.26459276 
+
+12
+-1279.8328348607045 9.6135 9.6412 -7.9083 -5.8825 -7.802 0.8576 -0.0851 1.086 7.35625 -0.50119 4.6857285064 6.2894502206 0.408207151
+N      0.94045274     -0.22611112     -0.07831572
+C      2.34341430     -0.01507586     -0.01794965
+C      3.15403554      1.10379661      0.12273381
+C      4.50836687      0.66148439      0.09119948
+C      4.49621326     -0.71481320     -0.06359599
+N      3.17887574     -1.10980333     -0.13141794
+H      0.49638481      0.42448124     -0.72777651
+H      0.49803306     -0.10033992      0.83514379
+H      2.80235701      2.12483179      0.24227487
+H      5.39755072      1.27912039      0.17691663
+H      5.30569089     -1.43376245     -0.12960679
+H      2.83211508     -2.05212853     -0.27687598 
+
+16
+-1528.340498716623 9.90612 10.47969 -8.742 -6.6096 -10.036 0.8434 -0.1346 3.176 9.35551 -2.89333 8.2681551932 11.2614500024 0.095329508
+N      1.08024131      0.03352825      0.54597973
+C      2.42314207     -0.02394248     -0.06383857
+C      3.28359761      1.16955825      0.41501326
+C      4.16095806      0.56090284      1.52575872
+N      4.45424119     -0.81697726      1.09289386
+C      3.19477971     -1.27244152      0.47519013
+H      0.56760000     -0.82762760      0.33555544
+H      0.53959729      0.79110171      0.11948724
+H      2.38953717     -0.04939802     -1.17054682
+H      2.65494689      2.00343216      0.76190730
+H      3.91808729      1.53881134     -0.40676622
+H      5.09064381      1.11449363      1.71620237
+H      3.59308935      0.51599257      2.46973339
+H      5.17596055     -0.77570929      0.36728080
+H      3.39902050     -2.02257342     -0.30139256
+H      2.56975719     -1.74600118      1.25234193 
+
+16
+-1516.0751171170461 10.135132 10.82843 -8.9035 -6.6683 -10.248 0.8667 -0.1029 3.133 9.76764 -2.91063 8.4003738636 11.6239726678 0.081246615
+N      0.91520923      0.02067115      0.16833445
+C      2.36907446      0.01135990     -0.00353794
+C      3.15413504      1.05907354      0.82970568
+C      4.17528608     -0.04187213      1.23194881
+N      5.44330680      0.07342286      0.50795794
+C      3.13016488     -1.10824727      0.75354581
+H      0.50367534     -0.77883683     -0.32265477
+H      0.51959392      0.85474308     -0.27617316
+H      2.68944121      0.04615967     -1.06450804
+H      2.55197061      1.39249647      1.68691141
+H      3.56799143      1.93347773      0.30766334
+H      4.41459780     -0.08611208      2.30443584
+H      5.27460552      0.08688299     -0.50238886
+H      6.02074108     -0.75284847      0.68790591
+H      3.51442068     -1.95717482      0.16872537
+H      2.51811595     -1.48259578      1.58825820 
+
+12
+-1277.8425633315755 9.711466 9.59235 -7.3579 -5.3752 -7.743 0.8994 0.0199 1.064 7.22941 -0.52922 4.6391097704 5.9405164208 0.36406046
+N      0.91699613      0.01061745     -0.23793367
+C      2.32248936      0.00567031     -0.08061853
+C      3.16346396      1.10989341     -0.02589073
+N      4.46631639      0.63626961      0.03478191
+C      4.46664528     -0.73502340      0.02687580
+C      3.14893569     -1.15862947     -0.04843813
+H      0.49381638      0.87757478      0.09105548
+H      0.47822093     -0.76891044      0.25108641
+H      2.94710356      2.17260891     -0.03842562
+H      5.29090478      1.22052286      0.08724121
+H      5.39079889     -1.30097748      0.07272842
+H      2.81311864     -2.19104653     -0.08823254 
+
+12
+-1270.0410745368374 9.732281 9.52185 -8.5717 -6.6095 -9.068 0.8814 -0.7847 0.1 8.4555 0.35323 4.8537791308 5.306848772 0.399879629
+N      1.05802158      0.00164071     -0.36371640
+C      2.29481065     -0.01705312      0.00482799
+N      3.11183463     -1.08598003      0.39844403
+C      4.50049500     -0.66949128      0.55821568
+C      4.40769962      0.82402384      0.41485023
+C      3.15050564      1.18185932      0.10605323
+H      0.65604643     -0.94610004     -0.36682850
+H      2.89338132     -2.02703754      0.08816140
+H      5.16381110     -1.10583555     -0.21318041
+H      4.90790378     -0.96509862      1.54237519
+H      5.26282017      1.48213514      0.55856140
+H      2.76039008      2.18158716     -0.06770383 
+
+16
+-1511.9668056816195 10.269732 11.22496 -8.7434 -6.5605 -9.991 0.901 -0.056 3.205 9.51851 -2.86959 8.118789259 11.9976168774 0.156115158
+N      2.90269696     -1.05449529     -0.62876573
+C      2.39349576      0.04566080      0.21203418
+C      3.34617677      1.21840563      0.23207331
+C      3.45900864      2.12418131     -0.97988173
+C      2.82052683      2.64693598      0.27468940
+N      3.44970998      3.72699454      1.00627692
+H      2.25250579     -1.84395643     -0.59400547
+H      3.78520456     -1.40041940     -0.24154480
+H      2.17723420     -0.25504790      1.25866342
+H      1.43507578      0.37506407     -0.22429826
+H      4.27770282      1.05450140      0.78509921
+H      2.82803258      1.89853134     -1.84049196
+H      4.44825206      2.50777193     -1.23839693
+H      1.73025302      2.74458267      0.24835547
+H      4.45459642      3.74618529      0.81890919
+H      3.34068782      3.58707407      2.01431379 
+
+17
+-1640.715059033213 10.553306 11.56727 -9.194 -6.8955 -10.564 0.9781 0.0067 3.117 9.95356 -2.85509 8.6741969446 10.381471766 0.094343701
+N      2.26520564     -0.41686082     -1.44719511
+C      2.42286158      0.02998305     -0.05389326
+C      3.19230802      1.33880550      0.01102943
+C      2.54346367      2.63019086     -0.56145289
+C      3.13646671      3.41350051      0.64046856
+C      3.31689442      2.06130622      1.38247639
+H      1.70178884     -1.26903362     -1.48183459
+H      3.18018889     -0.66470038     -1.83403920
+H      2.92065927     -0.71066862      0.60822591
+H      1.41327220      0.19539946      0.36033571
+H      4.19725649      1.19936723     -0.42690624
+H      1.44563442      2.56673981     -0.50706526
+H      2.82386114      2.94297886     -1.57565188
+H      4.10664567      3.86680143      0.38947372
+H      2.50680856      4.17735604      1.11690372
+H      4.23580241      1.90872754      1.96573664
+H      2.45091207      1.83635691      2.02520834 
+
+13
+-1379.5090527428138 9.36347 10.35952 -11.22 -8.9051 -11.563 0.7878 -0.2384 1.5 11.12107 -1.09978 5.3505910328 12.8278519306 0.223468782
+N      0.90907558     -0.03842240      0.05415933
+C      2.07649995     -0.01840474      0.02764243
+C      3.52786088      0.00528143      0.03747092
+C      4.25500723      1.07660389      0.91291085
+C      5.30741526     -0.00399927      1.27497373
+C      4.29100388     -1.09407916      0.84491500
+H      3.89170550      0.04381155     -1.00070677
+H      3.63798499      1.35302143      1.77804756
+H      4.58965665      1.98684815      0.40036020
+H      6.17445963      0.03150252      0.60026082
+H      5.66621375     -0.03052883      2.31121376
+H      4.65500255     -1.95895452      0.27681406
+H      3.68434415     -1.44427004      1.69044812 
+
+16
+-1510.5170552566483 10.099531 10.95326 -8.7713 -6.5711 -10.185 0.9292 -0.0472 3.238 9.51815 -2.94608 8.3729481604 11.1694771876 0.119476282
+N      2.29096835     -0.46064871     -1.40563833
+C      2.42832970      0.04701923     -0.03182228
+C      3.20214520      1.35688067     -0.02711310
+C      2.53271419      2.63707527     -0.58752107
+C      3.10726782      3.35408453      0.65706408
+N      3.28761154      2.02293286      1.30493342
+H      1.67683710     -1.27737853     -1.41640821
+H      3.19875937     -0.78484343     -1.75034636
+H      2.92270824     -0.65454341      0.67309752
+H      1.42197757      0.24306082      0.37077503
+H      4.19552087      1.20135866     -0.50006627
+H      1.43716942      2.56038327     -0.56811072
+H      2.85678928      2.98903650     -1.57281870
+H      4.05463060      3.87653003      0.42840066
+H      2.44723964      4.04090131      1.20926474
+H      4.17719110      1.89997095      1.79426957 
+
+12
+-1245.4388678903229 8.883765 9.75367 -9.7393 -7.5387 -10.844 0.7484 -0.4253 1.449 10.13005 -1.04136 5.3931926224 11.3469631466 0.235064934
+N      0.93125560     -0.08349505      0.08469667
+C      2.09757956     -0.05577057      0.07305595
+C      3.55877276      0.00977493      0.04724183
+C      4.26855369      1.10390634      0.89907307
+C      5.28081025     -0.00764576      1.26311585
+N      4.26636716     -1.01991355      0.85283156
+H      3.88020599      0.06478167     -1.01067251
+H      3.65312039      1.40911669      1.75275126
+H      4.63451138      1.98300979      0.35908503
+H      6.17596686      0.02468185      0.61631100
+H      5.59472871     -0.08651193      2.31344406
+H      4.61676766     -1.81610441      0.31534623 
+
+16
+-1508.5392991415285 10.033586 10.78049 -8.6935 -6.4588 -10.206 0.9358 -0.0322 3.205 9.53744 -2.91029 8.3889423544 11.681774941 0.113792612
+N      2.13283165     -0.42666282     -1.38025848
+C      2.36528650      0.08407628     -0.02052715
+C      3.33664421      1.25959222     -0.04957543
+C      2.73803199      2.56325252     -0.63736919
+N      2.44760333      3.02228625      0.75276634
+C      3.42702424      2.03766813      1.28973337
+H      1.39267758     -1.13132655     -1.37031128
+H      2.97339064     -0.89969188     -1.72343414
+H      2.75175682     -0.67662934      0.69027136
+H      1.40030840      0.43587686      0.37963786
+H      4.29992917      0.94442358     -0.47881791
+H      1.85341021      2.44774612     -1.28208967
+H      3.49739300      3.16687364     -1.16767767
+H      2.67581311      4.00064284      0.93978019
+H      4.44068129      2.44356104      1.46471370
+H      3.09261785      1.51285110      2.20113811 
+
+12
+-1244.227966562283 8.838048 9.61579 -9.4398 -7.2088 -10.613 0.6243 -0.4968 1.401 10.00027 -1.03738 5.347702159 10.7612284854 0.307107953
+N      0.87265038     -0.04037991      0.17933676
+C      2.03642194     -0.01919615      0.08637954
+C      3.48538725      0.00593098      0.00753215
+C      4.25603575      1.05287060      0.87283029
+N      5.13476158     -0.01691435      1.43859658
+C      4.28878675     -1.07272245      0.80119863
+H      3.78699516      0.04618545     -1.04916390
+H      3.62969046      1.51449522      1.65030895
+H      4.76656634      1.84318190      0.30612806
+H      6.06015602      0.01191873      1.00627294
+H      4.82284533     -1.80695382      0.18308211
+H      3.67776304     -1.60473620      1.54515788 
+
+16
+-1514.858238144015 10.167425 10.94629 -9.0818 -6.8624 -10.19 0.8212 -0.2026 3.156 9.63901 -3.52876 8.2035832844 11.3243481002 0.292484172
+N      2.52752941     -1.24769088     -0.32042376
+C      2.02592982      0.02332361      0.23231155
+C      3.11497999      1.08730402      0.25602856
+N      4.32484258      0.80111192      1.00603516
+C      3.31465687      1.93338311     -0.97617408
+C      2.67462696      2.53246668      0.25979793
+H      1.74422210     -1.87878114     -0.50089190
+H      3.10822381     -1.72098338      0.37703349
+H      1.60857121     -0.07260331      1.25827068
+H      1.20231748      0.36816963     -0.41256267
+H      4.10068160      0.57568026      1.97992446
+H      4.80172252     -0.00966418      0.60178376
+H      2.68379987      1.72588890     -1.84103648
+H      4.33643434      2.23540501     -1.20498256
+H      3.27569837      3.22469196      0.84933457
+H      1.60422307      2.74514777      0.23831129 
+
+17
+-1639.2628752100798 10.616946 11.86974 -9.2664 -6.9167 -10.628 0.9802 0.0216 3.191 9.99879 -2.87277 8.7632932842 11.3970162948 0.194854676
+N      0.81035786      0.19996568     -0.21784142
+C      2.26507280      0.00789005     -0.33727105
+C      3.01841418      1.06417118      0.47469769
+C      4.52050084      0.88236745      0.43535702
+C      5.33070062      1.45086709     -0.70884405
+C      5.44093374      2.05564189      0.67322906
+H      0.31939154     -0.53865212     -0.72683855
+H      0.54171488      1.07853440     -0.67031801
+H      2.64073865      0.02319372     -1.38082155
+H      2.50214095     -0.99038058      0.06756000
+H      2.65315209      1.03421715      1.51477971
+H      2.76813736      2.06844824      0.08579521
+H      4.87273777     -0.07626394      0.82882218
+H      4.79507098      2.02238860     -1.46948285
+H      6.17471454      0.87426302     -1.08863995
+H      6.35946540      1.88927792      1.23678971
+H      4.98038580      3.03141024      0.83802684 
+
+13
+-1377.2655994455497 9.346741 10.54753 -10.9829 -8.7281 -11.625 0.8473 -0.1542 1.461 11.26647 -1.07955 5.3850715394 11.835765553 0.347168368
+N      5.28663653     -2.00282014     -0.34732385
+C      4.55393917     -1.11100292     -0.17922627
+C      3.64572808      0.01536920      0.03923216
+C      4.37242256      1.34646673      0.15374517
+C      4.74685717      2.10838581     -1.09196664
+C      3.63811626      2.61694608     -0.19806750
+H      3.05995993     -0.18832163      0.95064013
+H      2.92892747      0.04472289     -0.79747241
+H      5.07513983      1.40132329      0.98750499
+H      4.46575160      1.67486526     -2.05299780
+H      5.69603527      2.64343037     -1.09917527
+H      3.82603146      3.50057153      0.41171673
+H      2.61251466      2.52898353     -0.56059943 
+
+16
+-1508.4097932728694 10.119768 11.1857 -9.3316 -6.978 -10.703 0.9372 -0.0199 3.099 10.32749 -2.78957 8.7368718676 11.5269288256 0.20477019
+N      0.86994278      0.08250882     -0.17999847
+C      2.33204930     -0.07381877     -0.23316094
+C      3.02423804      1.17909108      0.30640946
+C      4.52792168      1.04181981      0.35916940
+C      5.39574151      1.35989589     -0.80905221
+N      5.30997105      2.29825495      0.33410102
+H      0.41622357     -0.76696569     -0.52360411
+H      0.58136141      0.83292213     -0.81414297
+H      2.72770423     -0.29511638     -1.24596134
+H      2.59554317     -0.93651082      0.40193394
+H      2.63103035      1.39828014      1.31261121
+H      2.77834143      2.04998413     -0.32472085
+H      4.89622812      0.24508160      1.01694343
+H      4.93906163      1.73090419     -1.73073908
+H      6.30969661      0.77740158     -0.95085042
+H      6.14396512      2.19802733      0.92091194 
+
+12
+-1246.3709678561484 8.850233 9.86173 -10.155 -7.9561 -11.431 0.7634 -0.2524 1.361 10.74428 -0.98713 5.3850963366 11.7172597342 0.304419855
+N      5.26858917     -1.90904827     -0.58307169
+C      4.52249259     -1.05742525     -0.30305792
+C      3.60613944      0.02344744      0.05259985
+C      4.30039172      1.37592161      0.12743575
+C      4.43840694      2.24170760     -1.07132231
+N      3.40635703      2.53321101     -0.04878497
+H      3.13891397     -0.21657174      1.02109096
+H      2.79607919      0.07244745     -0.69071556
+H      5.09432053      1.44009170      0.87735351
+H      4.04348465      1.90147035     -2.03161912
+H      5.31960844      2.88364282     -1.13598379
+H      3.71253633      3.30631528      0.54942529 
+
+15
+-1497.1363872605202 11.255751 11.61295 -9.3781 -7.2173 -9.279 1.2228 -0.4485 0.952 8.87793 -0.61326 6.2600035456 6.2600035456 0.474397465
+N      1.05962234     -0.08889987      0.21793072
+C      2.42396047      0.14009725     -0.30410940
+C      2.56204762     -0.60851351     -1.60886626
+C      3.48356404     -1.54704487     -1.84801116
+C      2.59991433      1.62284584     -0.53258504
+C      3.55709437      2.36680290      0.03090724
+H      0.95088420      0.39607958      1.11210256
+H      0.92592694     -1.08750033      0.39533035
+H      3.22797430     -0.20322880      0.37903512
+H      1.82593490     -0.34322202     -2.37542241
+H      4.21833191     -1.82973909     -1.08957357
+H      3.53995002     -2.06125066     -2.80851131
+H      1.86102597      2.07916587     -1.20021058
+H      4.29577058      1.92781450      0.70665812
+H      3.64025800      3.43646320     -0.16679437 
+
+13
+-1336.6733307564832 10.454565 11.00748 -9.4616 -7.2657 -9.64 1.0007 -0.2891 1.247 9.19576 -0.65494 4.3685103254 10.7676757574 0.405071181
+N      0.99963342     -0.01006593      0.29532657
+C      2.45384812     -0.00119016     -0.01029184
+C      2.69239337     -0.76057044     -1.30259180
+C      3.35697114     -0.31389505     -2.36933448
+C      2.94304912      1.37748342     -0.04572967
+C      3.36332267      2.51546301     -0.04739820
+H      0.84777946      0.45822431      1.19268185
+H      0.69915404     -0.98103699      0.42101043
+H      3.05028806     -0.52298248      0.77275961
+H      2.27424159     -1.77334656     -1.30160728
+H      3.78190821      0.69166376     -2.39043130
+H      3.49155709     -0.94128599     -3.25088437
+H      3.72702371      3.52272909     -0.05677953 
+
+11
+-1177.0014917312828 10.076544 10.94902 -9.7769 -7.5306 -9.619 0.9013 -0.3676 1.8 9.32982 -1.53816 4.3724158844 11.054715746 0.866741776
+N      0.96431561     -0.00755243     -0.00128216
+C      2.44797227     -0.00661443     -0.01361818
+C      2.94113384     -0.76923431     -1.17018035
+C      3.34845144     -1.44173938     -2.09241584
+C      2.94959952      1.37548188     -0.02853846
+C      3.36572130      2.51294058      0.01303687
+H      0.64884522      0.47750486      0.84310150
+H      0.64345532     -0.97701192      0.06909307
+H      2.88954546     -0.48791915      0.88712518
+H      3.70615272     -2.02008884     -2.91977104
+H      3.72928731      3.52017315      0.02943941 
+
+15
+-1503.6324178783811 12.397242 12.21552 -8.5447 -6.5539 -8.353 0.6742 -0.9069 0.328 7.89353 0.22218 5.0963453412 5.0963453412 0.815247889
+N      1.64952546     -0.79000801     -0.45068386
+C      3.01894891     -0.40900613     -0.06114393
+C      3.05390430      1.02174913      0.38150944
+C      3.88289349      1.95908821     -0.12207933
+C      3.91376078      3.34397343      0.31020944
+C      4.73356042      4.28221786     -0.20145201
+H      1.61153817     -1.78902538     -0.66370486
+H      1.38787445     -0.29559777     -1.30747394
+H      3.78614013     -0.56769082     -0.84591375
+H      3.29954354     -1.05319784      0.79154684
+H      2.33039293      1.29559624      1.15796972
+H      4.58867798      1.67427982     -0.91271614
+H      3.21210401      3.62247728      1.10454394
+H      5.44641990      4.04144574     -0.99388585
+H      4.71480553      5.31239825      0.15400430 
+
+13
+-1343.269752234907 11.5263 11.84711 -8.9674 -6.8572 -8.615 0.6229 -0.9975 0.549 8.21602 0.0078 4.092219923 11.4354643534 0.735669685
+N      1.81496927     -0.42111630      1.57159184
+C      2.41375363     -0.05843665      0.27087621
+C      2.94357046      1.34244147      0.29329690
+C      4.21767206      1.67848511      0.00738621
+C      4.71714998      3.00490154     -0.01022224
+C      5.18776443      4.12777420     -0.03774167
+H      1.40680873     -1.35716571      1.50540966
+H      1.03463398      0.20978265      1.77704871
+H      1.70262778     -0.14064436     -0.58004262
+H      3.23769683     -0.75963476      0.06500023
+H      2.23111351      2.13678001      0.54216379
+H      4.93745601      0.88767194     -0.23339205
+H      5.59244332      5.11877086     -0.05553497 
+
+15
+-1501.9692331429565 11.532624 11.46552 -8.7127 -6.6541 -8.583 0.6665 -0.8867 0.303 8.02894 0.20253 5.2657722102 5.2657722102 0.747307098
+N      0.82507418      0.14394041      0.06634610
+C      2.28984836      0.19373614      0.13456620
+C      2.83860023      1.60636915      0.14681399
+C      2.02887046      2.68414064      0.20397578
+C      4.29185418      1.78342159      0.10135923
+C      5.22137011      0.80947145      0.08426216
+H      0.51116479     -0.81792229      0.20514589
+H      0.51343440      0.41542770     -0.87012917
+H      2.79368848     -0.35829767     -0.68497494
+H      2.60118633     -0.30425287      1.06924536
+H      0.94736587      2.57060832      0.27227416
+H      2.44410708      3.69341596      0.20845188
+H      4.62892726      2.82568144      0.09449604
+H      4.96265347     -0.25071862      0.09398226
+H      6.28388480      1.05264866      0.06348507 
+
+13
+-1342.911100071473 10.985515 11.22473 -9.0233 -6.9465 -8.794 0.6741 -0.9634 0.567 8.30913 -0.03325 4.0639015206 6.0725987066 0.430540297
+N      2.77093404     -0.60165878      1.34520987
+C      2.41297712      0.00786477      0.05976864
+C      2.91270632      1.44184987     -0.01809041
+C      2.05665778      2.47771504     -0.14199421
+C      4.32319341      1.64197849      0.03917335
+C      5.53175064      1.78051015      0.06364902
+H      2.54389383     -1.59759531      1.33838374
+H      2.22840406     -0.17365343      2.09906896
+H      1.32868440      0.01700623     -0.16770605
+H      2.90781606     -0.57605229     -0.73330973
+H      0.98036828      2.30316752     -0.18790425
+H      2.41049855      3.50632502     -0.20696704
+H      6.59464551      1.90488272      0.09369813 
+
+13
+-1345.9804903659945 11.69217 12.24213 -8.8243 -6.681 -8.504 0.7589 -0.8725 0.597 8.0899 -0.0605 3.8858080302 11.6398924702 0.586039066
+N      0.97621629     -0.11747510      0.00757699
+C      2.44947964     -0.03088464     -0.01328710
+C      2.91225991      1.35108770      0.00858850
+C      3.29189448      2.51070754     -0.00178862
+C      3.78358835      3.83989257     -0.00635362
+C      3.01939804      4.94952716      0.01681210
+H      0.70096487     -1.09841944     -0.08530158
+H      0.59981656      0.36919237     -0.81015613
+H      2.92460800     -0.53493231     -0.88126775
+H      2.83028624     -0.54615065      0.88581737
+H      4.87396734      3.94394963     -0.03190944
+H      1.93085412      4.89001682      0.04438132
+H      3.47624615      5.93868835      0.00948797 
+
+11
+-1190.855563430498 11.642898 12.04724 -9.2708 -7.0646 -8.722 0.689 -0.9255 0.989 8.35422 -0.5986 3.2291657756 7.9003507242 1.608758173
+N      0.99268508     -0.02026063      0.02121008
+C      2.46623799      0.03507737     -0.01727295
+C      2.95579875      1.40539973      0.01241422
+C      3.37102604      2.55559655      0.00164682
+C      3.83398143      3.83375446     -0.00063615
+C      4.24845149      4.98214672     -0.00280869
+H      0.69687799     -0.99692051     -0.04835797
+H      0.61320406      0.46037520     -0.79844580
+H      2.92474869     -0.46666152     -0.89518777
+H      2.84792365     -0.49317662      0.87368511
+H      4.60890483      5.98979924     -0.00369689 
+
+17
+-1641.0240872537122 11.366458 12.36052 -9.2818 -6.9578 -9.503 0.9691 -0.0364 1.369 8.97943 -0.80825 6.6788282536 6.6788282536 0.46362875
+N      0.99611001     -0.50716973      0.06928847
+C      2.46609599     -0.54940186      0.07516248
+C      3.04581801      0.85524608     -0.08972231
+C      4.58200339      0.88081326     -0.03472217
+C      5.15032325      2.25366724     -0.24677162
+C      5.90633410      2.92231929      0.63147211
+H      0.61782559     -1.44214681      0.23532875
+H      0.66273700     -0.22646885     -0.85707498
+H      2.90276596     -1.21230834     -0.70182137
+H      2.78286826     -0.95769374      1.04959291
+H      2.63058918      1.50714443      0.69475355
+H      2.70937792      1.27464377     -1.05522047
+H      4.97594760      0.20276705     -0.81441030
+H      4.92911428      0.48361386      0.93386930
+H      4.90169375      2.73158650     -1.20248412
+H      6.17519981      2.48702680      1.59776776
+H      6.28257589      3.92381104      0.41753202 
+
+15
+-1485.229493564399 10.646269 11.59764 -9.3101 -6.9602 -9.812 0.9677 -0.0094 2.338 9.43611 -1.92679 4.3555537884 10.5950004552 0.62815937
+N      1.11739960     -0.32916843      0.21109505
+C      2.57346989     -0.32258002      0.42942580
+C      3.18980776      0.93999230     -0.16936484
+C      4.71247578      1.04216742      0.05078654
+C      5.48276539      0.00400344     -0.62662409
+C      6.11848210     -0.85488950     -1.20401539
+H      0.70234724     -1.14286709      0.67066160
+H      0.92264130     -0.44277820     -0.78790937
+H      3.09824642     -1.20838401      0.02117718
+H      2.74688165     -0.32393828      1.51898337
+H      2.70309671      1.82046680      0.27738521
+H      2.98332558      0.97328974     -1.25239221
+H      4.93222560      1.00510202      1.13214117
+H      5.06475164      2.02670561     -0.29807679
+H      6.67897333     -1.61312180     -1.71129325 
+
+18
+-1658.352812953178 10.89871 12.13855 -9.2923 -6.9225 -10.64 0.9708 -0.0032 3.16 10.39579 -2.912 8.7628469346 12.1726107178 0.221645099
+N      0.94699684     -0.02742834      0.02167320
+C      2.41841385     -0.04323868     -0.01602554
+C      2.97349879      1.38104479     -0.00899951
+C      4.50229780      1.43381541      0.00367499
+C      5.05743682      2.85807259      0.01075783
+N      6.52875945      2.84228411     -0.02991581
+H      0.58799753     -0.98470624      0.04543258
+H      0.58696088      0.38633640     -0.84324521
+H      2.84031189     -0.59024938     -0.88497732
+H      2.76804977     -0.57151122      0.88696089
+H      2.56059511      1.91006501      0.86582972
+H      2.59728115      1.91524519     -0.90093492
+H      4.91505419      0.90499931     -0.87134385
+H      4.87863924      0.89942535      0.89544188
+H      4.63725085      3.40441811      0.88096463
+H      4.70601162      3.38704541     -0.89112950
+H      6.89060258      2.42740639      0.83371676
+H      6.88773166      3.79958579     -0.05325084 
+
+8
+-986.7289715452199 9.407033 9.29031 -11.0053 -8.8763 -10.386 -1.5602 -3.3425 -1.53 9.96404 1.87976 4.8682358984 4.8973974056 0.426504525
+N      0.93614843     -0.04588454      0.00000000
+C      2.10549713     -0.00678979      0.00000000
+C      3.52419897     -0.00313280      0.00000000
+C      4.24684063      1.14112239      0.00000000
+C      5.66554394      1.14478013      0.00000000
+N      6.83489284      1.18387539      0.00000000
+H      4.01684639     -0.97752082      0.00000000
+H      3.75419168      2.11551004      0.00000000 
+
+6
+-826.2482781929957 9.842585 9.45599 -11.5164 -9.3975 -10.729 -1.559 -3.4556 -1.441 10.33881 1.66312 3.1981320798 7.4220127362 2.110608895
+N      0.96886396      0.00000000      0.00000000
+C      2.14396561      0.00000000      0.00000000
+C      3.50197417      0.00000000      0.00000000
+C      4.72620567      0.00000000      0.00000000
+C      6.08421445      0.00000000      0.00000000
+N      7.25931614      0.00000000      0.00000000 
+
+10
+-1131.3185143511141 8.415748 9.4883 -12.219 -9.788 -12.09 0.5821 -0.6401 0.835 11.83181 -0.70232 5.3811039874 11.5968693282 0.59377004
+N      0.96597738     -0.01411202     -0.00008225
+C      2.13180244     -0.02080670     -0.00014199
+C      3.59056321     -0.00993656     -0.00007994
+C      4.14873791      1.43513433      0.01051484
+C      5.60746716      1.44165577      0.01047033
+N      6.77313480      1.42098175      0.01022895
+H      3.95085582     -0.54810299     -0.88903608
+H      3.95087385     -0.56108250      0.88088138
+H      3.78940946      1.97381412      0.89951860
+H      3.78930797      1.98682479     -0.87043385 
+
+16
+-1516.2731881170466 11.090989 11.81765 -9.2181 -6.9284 -9.148 1.0215 -0.1941 1.413 8.64089 -0.78998 6.3770091338 6.3770091338 0.393403252
+N      1.52214680     -0.39145329     -0.96758521
+C      2.60874719     -0.18481191      0.00738677
+C      2.96833933      1.27037237      0.08619031
+C      4.19897336      1.76401301     -0.10752442
+C      4.55865790      3.21914516     -0.02827993
+N      5.64379662      3.42552401      0.94844826
+H      1.22978467     -1.37114319     -0.96150091
+H      1.86925364     -0.19535251     -1.91006495
+H      3.52555036     -0.77607040     -0.18956250
+H      2.22338787     -0.51133601      0.98953067
+H      2.13524100      1.95164765      0.29821563
+H      5.03203891      1.08269074     -0.31951318
+H      3.64167720      3.81057153      0.16732074
+H      4.94562172      3.54563509     -1.00979581
+H      5.29502337      3.22947263      1.89033443
+H      5.93624006      4.40519511      0.94292009 
+
+16
+-1515.9982807413344 10.68216 11.22059 -9.1033 -6.8694 -9.173 0.9665 -0.1396 1.476 8.57789 -0.84699 6.4446558954 6.4446558954 0.404011615
+N      2.67540496     -0.52352039      1.28189154
+C      2.36061854      0.16281858      0.01232692
+C      2.81312535      1.60482784      0.05454497
+C      1.94953646      2.61464349     -0.12622220
+C      4.28916346      1.81484881      0.30498506
+N      4.70048326      3.21862981      0.22111043
+H      2.44149961     -1.51582579      1.20559865
+H      2.08246481     -0.14217703      2.02452606
+H      1.28932058      0.13546132     -0.26682700
+H      2.91466946     -0.36615976     -0.78364717
+H      0.89079744      2.41929187     -0.30880359
+H      2.28036721      3.65272851     -0.07993699
+H      4.84057536      1.13723181     -0.38362686
+H      4.51922975      1.44101522      1.31591269
+H      4.66781046      3.53423580     -0.75206091
+H      5.67217329      3.30951993      0.52206840 
+
+14
+-1358.766201727617 10.629198 11.86706 -9.2309 -6.8654 -9.166 1.0153 -0.1543 2.443 8.80054 -1.9956 4.1873915766 10.3737350396 0.700536479
+N      0.97871665     -0.08715292      0.06361704
+C      2.45235949     -0.02396012     -0.02463038
+C      2.93420249      1.35474169      0.00941808
+C      3.33585977      2.50222781      0.01353391
+C      3.83388951      3.87557692     -0.00953025
+N      2.73418399      4.85028730     -0.16374380
+H      0.68271835     -1.05699541     -0.07391372
+H      0.57421483      0.45079987     -0.70747105
+H      2.87277598     -0.51399764     -0.92716297
+H      2.86311692     -0.56718632      0.84367041
+H      4.61332013      3.94464756     -0.79666299
+H      4.33851082      4.09043048      0.94776806
+H      2.23511646      4.65694182     -1.03609039
+H      3.13620461      5.78611896     -0.26223194 
+
+16
+-1502.2452225165246 10.201679 11.11377 -9.006 -6.8649 -10.551 1.0044 0.0232 3.542 9.86841 -3.33357 8.725886708 12.5242226152 0.184505696
+N      0.47667127      0.23184702      0.03043487
+C      1.83188352      0.01399979     -0.49902417
+C      2.87067077      0.44506213      0.53570559
+N      4.22822449      0.25088424      0.02306105
+C      5.27310385      0.14687316      1.04528840
+C      4.81748318     -1.06503688      0.30278765
+H     -0.21391028     -0.16021230     -0.61275036
+H      0.28009469      1.23556897      0.07538867
+H      2.04811998      0.53655128     -1.45102509
+H      1.94978490     -1.06459587     -0.69256768
+H      2.68796655     -0.10585714      1.48262766
+H      2.74895155      1.52044698      0.75499902
+H      4.96968871      0.22572353      2.09506703
+H      6.22567931      0.62119241      0.79826502
+H      5.43275277     -1.48905010     -0.49391607
+H      4.20998474     -1.78666720      0.86062841 
+
+12
+-1236.561515783058 8.939881 9.80107 -9.8616 -7.7264 -11.1 0.8782 -0.2479 1.507 10.45834 -1.12806 5.421473829 12.5996309004 0.240947462
+N      4.82109847     -2.18096889     -0.65767147
+C      4.28461928     -1.20006446     -0.32827473
+C      3.58196335      0.02323170      0.07198335
+N      4.47926421      1.18089303      0.05875605
+C      4.60434224      1.85272768     -1.24304318
+C      3.79787433      2.46683352     -0.14867471
+H      3.20107823     -0.11546897      1.09655885
+H      2.70168195      0.13985606     -0.59605885
+H      4.05701660      1.43033251     -2.09164271
+H      5.60198613      2.22989449     -1.47311412
+H      4.19648082      3.30010032      0.43265389
+H      2.70923438      2.45797301     -0.26655237 
+
+16
+-1515.0195185877703 10.634241 11.14678 -9.0543 -6.8621 -9.615 0.9659 -0.2316 1.316 9.09502 -0.74635 6.700885363 6.700885363 0.394338624
+N      1.43730939     -0.50380501     -0.71715452
+C      2.77140882     -0.30250580     -0.12438525
+C      3.09851497      1.20140664     -0.09693263
+N      2.08548390      2.02069246      0.59286636
+C      4.45571373      1.53827352      0.46439929
+C      5.37457138      0.68301626      0.92853696
+H      1.11306061     -1.45638727     -0.54274600
+H      1.48993332     -0.40278068     -1.73444310
+H      3.57797723     -0.84895042     -0.65161537
+H      2.74084227     -0.67834438      0.91166502
+H      3.10018596      1.54865030     -1.15197776
+H      2.14094038      1.82514599      1.59832896
+H      1.16824332      1.67261665      0.29073187
+H      4.66130926      2.61381936      0.49447121
+H      5.22326045     -0.39829204      0.93456232
+H      6.32678501      1.04412442      1.32000267 
+
+14
+-1358.314291616896 10.26483 10.94414 -9.1595 -6.95 -9.712 0.807 -0.2302 2.302 9.37828 -1.89951 4.3808965268 10.8238910098 0.606917239
+N      0.93600886     -0.00256530      0.03876352
+C      2.40268886     -0.01526299     -0.03558953
+C      2.93317940      1.44199216      0.07141796
+N      2.46367565      2.16414259      1.26616932
+C      4.39232728      1.45028973     -0.01064533
+C      5.60410505      1.40540497     -0.06521379
+H      0.58104326     -0.92705770      0.28533255
+H      0.53381622      0.23097716     -0.87237371
+H      2.81165958     -0.48006391     -0.95265473
+H      2.79009559     -0.58367601      0.82390515
+H      2.54610210      1.99179306     -0.80954498
+H      2.97653809      1.81676243      2.08237314
+H      1.48366726      1.88511902      1.39733217
+H      6.67375279      1.38879479     -0.11453174 
+
+14
+-1382.113168614796 9.984135 10.38753 -8.373 -6.4187 -9.334 0.9309 -0.038 1.037 8.47739 -0.47332 4.9594276014 5.829077804 0.212238051
+N      1.14212010      0.14040664      0.53776647
+C      2.35673489      0.11674879      0.10406100
+N      3.15931610      1.22182061      0.15880516
+C      2.69090579      2.61136652      0.32072116
+C      3.96089351      3.08427059     -0.43897865
+C      4.25777273      1.59150994     -0.75758007
+H      0.72562440     -0.79248364      0.45651676
+H      2.88065529     -0.76072352     -0.31774352
+H      2.58703731      2.92883430      1.36813451
+H      1.73693509      2.79132870     -0.20133585
+H      3.78355504      3.72500834     -1.30976594
+H      4.71364096      3.54980149      0.20820248
+H      4.06696117      1.31351891     -1.80809154
+H      5.24650762      1.21284232     -0.45583196 
+
+14
+-1384.6619725789985 10.051908 10.73029 -8.6936 -6.6946 -9.551 1.0282 0.0263 0.972 8.74458 -0.44349 4.9457519456 5.9959753586 0.241895105
+N      1.27305636      1.17274637     -1.80404399
+C      2.51648530      1.40013739     -1.56428463
+N      3.29197715      0.51119441     -0.85363403
+C      4.51965602      0.90546425     -0.22244384
+C      5.66596930     -0.07530282     -0.23656094
+C      5.72783829      1.16443576     -1.09492542
+H      0.88959498      1.91795400     -2.39389029
+H      3.09391730      2.27539389     -1.90940669
+H      2.76153924     -0.24239891     -0.41499115
+H      4.42883692      1.52988236      0.67453387
+H      5.49190168     -1.02357490     -0.74508691
+H      6.29692580     -0.13062108      0.65004247
+H      6.40049392      1.97026565     -0.80227012
+H      5.59640774      1.03340362     -2.16872833 
+
+14
+-1393.5867256179256 9.804675 10.39142 -8.9341 -6.9245 -9.758 0.7596 -0.2219 1.05 9.00632 -0.45637 4.9964126252 12.045115914 0.319750121
+N      2.59030153     -1.11240613     -0.71109585
+C      2.21564206      0.20551783     -0.45156922
+N      1.02742627      0.62232804     -0.17576768
+C      3.36048687      1.16792885     -0.45626248
+C      3.15411223      2.53305957     -1.09735043
+C      3.26618722      2.42034293      0.39224760
+H      3.44734111     -1.25187580     -1.24012106
+H      1.84253458     -1.75177056     -0.96720517
+H      0.33667507     -0.13697849     -0.22549423
+H      4.35167479      0.72155865     -0.56072455
+H      2.15897978      2.70967851     -1.50616823
+H      3.98762536      2.95394768     -1.66044380
+H      4.17953382      2.76356424      0.87836741
+H      2.34328931      2.51578467      0.96456768 
+
+12
+-1228.822372830561 10.078514 10.65439 -8.9096 -6.9205 -9.633 0.857 -0.0975 0.879 8.87794 -0.33565 4.4013542168 10.877477759 0.449161746
+N      3.02160789     -1.51901511      0.62587909
+C      2.35417184     -0.54276199      0.11461119
+N      2.92242660      0.68728033     -0.08486842
+C      4.35742427      0.86954675      0.13266454
+C      4.76774961      2.23412138     -0.16440606
+C      5.10717736      3.36862693     -0.42748570
+H      2.41755385     -2.33805328      0.73757584
+H      1.29291958     -0.56709790     -0.18655543
+H      2.45219075      1.35151049     -0.68995950
+H      4.93569226      0.15459631     -0.48152322
+H      4.58737976      0.61513518      1.18054183
+H      5.41734624      4.36920089     -0.65035415 
+
+14
+-1394.3768458341312 10.395326 10.69687 -9.1343 -7.1029 -9.795 1.2704 -0.3303 0.755 9.23769 -0.29491 5.027322335 6.5298590746 0.408632601
+N      2.82131076     -1.28637493     -1.12214601
+C      2.44957708     -0.39879102     -0.12005068
+N      1.47462484     -0.52477682      0.71194256
+C      3.27194859      0.88438476     -0.10552408
+C      4.75063536      0.63980796      0.01392684
+C      5.66064536      0.97273006     -0.91029435
+H      3.78274094     -1.21648319     -1.45082381
+H      2.47379200     -2.23838811     -1.04726754
+H      0.98880104     -1.42469985      0.57986349
+H      2.90221462      1.47195925      0.74611499
+H      3.06146520      1.44892978     -1.02874090
+H      5.07935034      0.14367562      0.93446076
+H      5.37226150      1.47668838     -1.83691878
+H      6.72284236      0.76993812     -0.76488251 
+
+12
+-1237.9046433132662 9.83411 10.30565 -9.2398 -7.1978 -9.956 0.7613 -0.2111 0.905 9.29019 -0.2885 4.3451389644 10.7224084688 0.624509627
+N      1.21726191      0.12506482      0.52364859
+C      2.38606233     -0.16417362     -0.15741836
+N      2.63391490     -1.16556610     -0.92521825
+C      3.46343901      0.92074227     -0.05349373
+C      3.51487614      1.62249666      1.22165978
+C      3.52288739      2.19796956      2.29112947
+H      1.30434821      0.75040820      1.32367930
+H      0.55819006     -0.63800762      0.64744581
+H      1.83224544     -1.81039602     -0.97082495
+H      3.28118464      1.64899959     -0.86181005
+H      4.42435671      0.43706457     -0.27582588
+H      3.55900327      2.71273770      3.22965827 
+
+12
+-1251.3209579013464 9.817471 9.5088 -8.1081 -6.1344 -8.045 0.758 -0.2634 1.018 7.55541 -0.46471 4.8180711628 6.1401834752 0.417825011
+N      0.93023589      0.02748755     -0.29803608
+N      2.33905310      0.00224916     -0.07639188
+C      3.14139296      1.11532888     -0.04585385
+C      4.45806955      0.67518337      0.03678132
+C      4.43379314     -0.74292892      0.03813310
+C      3.10272268     -1.13771538     -0.04304792
+H      0.58042990      0.83698910      0.22762642
+H      0.55584886     -0.78830327      0.19982550
+H      2.71610018      2.11261509     -0.09357672
+H      5.33276741      1.31562964      0.09439821
+H      5.28603400     -1.41286691      0.09671618
+H      2.64355233     -2.12005831     -0.08759429 
+
+14
+-1365.2493340736503 10.686049 10.91545 -8.3099 -6.2684 -9.057 1.2204 -0.0984 0.796 8.64116 -0.21053 4.9561791682 12.808063765 0.259753494
+N      0.74073495      1.10100294     -0.43071629
+N      2.03934983      0.63418923     -0.35602678
+C      2.99301231      1.48180360     -0.51380646
+C      4.40262461      1.08363827     -0.36181659
+C      5.46569113      1.73333719     -1.23496964
+C      5.40312514      2.06616674      0.22906793
+H      0.12762598      0.34858523     -0.74000407
+H      0.62045212      1.93704913     -1.01810538
+H      2.78973741      2.54280137     -0.76481718
+H      4.54092733      0.03017429     -0.11379825
+H      5.13378316      2.49153399     -1.94630835
+H      6.27596125      1.09834977     -1.59355881
+H      6.16875815      1.66085754      0.89085434
+H      5.02918665      3.05020072      0.51563556 
+
+14
+-1365.7634828042144 11.174942 11.19975 -8.7063 -6.633 -9.181 1.1718 -0.4571 0.527 8.74349 -0.02315 4.9229013258 5.5573252892 0.304312615
+N      0.79048703      0.57158723      0.48471037
+N      2.15185700      0.56256788      0.68667768
+C      2.89284422      1.19946296     -0.14824352
+C      4.39194383      1.16231343     -0.03468459
+C      4.97718232      2.52882065      0.21484932
+C      5.81191797      3.16837347     -0.61208052
+H      0.30662790      0.43676018      1.37019607
+H      0.43060708      1.38852031     -0.02541270
+H      2.45771162      1.80162736     -0.96825759
+H      4.82703491      0.74509139     -0.95952986
+H      4.64442811      0.48012646      0.79266115
+H      4.66486199      3.01410365      1.14639825
+H      6.14096158      2.71511998     -1.55109822
+H      6.20058445      4.16028503     -0.37717584 
+
+12
+-1208.874190027611 10.479745 10.82095 -8.9086 -6.8105 -9.287 1.3176 -0.2924 0.606 8.87804 -0.03481 4.360711606 10.8159435072 0.715043891
+N      0.87084885      0.04953242      0.41514622
+N      2.23650739     -0.04175556      0.29761086
+C      2.88644435      0.99775222     -0.08014232
+C      4.39419315      0.96720438     -0.11779362
+C      4.93534255      1.36536650     -1.41527796
+C      5.36282371      1.70703004     -2.49874076
+H      0.44808232     -0.86768812      0.28873151
+H      0.42646643      0.76080562     -0.17895364
+H      2.38557148      1.93538095     -0.38007340
+H      4.72426730     -0.05040602      0.14187384
+H      4.80046216      1.64296170      0.65723253
+H      5.75256032      2.00183588     -3.45146326 
+
+12
+-1276.6684562224555 8.631592 9.20097 -9.1642 -7.0151 -8.905 1.2936 -0.4193 1.085 8.44587 -0.47446 5.5873422998 13.0990093126 0.445711713
+C     -1.35776619      0.04678441     -0.42097921
+C     -0.46526309     -0.74862366      0.57861222
+O     -0.47376168      0.45660974      1.44420291
+C     -0.39791081      1.14332609      0.13099085
+C      0.96560133      0.65988219     -0.39822398
+C      0.91911004     -0.64625723     -0.08926610
+H     -1.30746882     -0.20759458     -1.48842815
+H     -2.38825811      0.16856848     -0.06131300
+H     -0.77451432     -1.67224719      1.08047451
+H     -0.63625022      2.21237225      0.16129526
+H      1.73743095      1.25423982     -0.88001383
+H      1.64146091     -1.44380033     -0.24166147 
+
+12
+-1300.708068628256 8.678432 9.20108 -8.2844 -6.2114 -8.787 1.12 0.1292 1.21 8.41708 -0.67452 5.676265059 11.8604015712 0.262864777
+C      0.38878015      1.42299110      0.52393971
+C      0.85058663      0.37422230     -0.44391357
+O      0.90318524     -0.98571355      0.00084998
+C     -0.39567903     -1.34405200      0.29681839
+C     -1.31384364     -0.39899423      0.02579293
+C     -0.61005139      0.81842549     -0.46141668
+H      0.74085044      2.43464102      0.32082899
+H      0.28497781      1.15720633      1.57665376
+H      1.59113930      0.58588361     -1.21414837
+H     -0.50442681     -2.34409227      0.70986800
+H     -2.38788181     -0.50520123      0.14838929
+H     -1.03606690      1.43932342     -1.25081243 
+
+14
+-1421.088960081873 9.109645 10.21457 -9.8803 -7.7288 -11.707 1.0028 0.1062 2.795 11.02083 -2.43646 9.1853664254 11.6530225876 0.26071599
+C     -0.12249963      0.72485939      0.15843518
+C     -0.63421358     -0.61551884     -0.30942749
+C      0.84621194     -0.41001252     -0.11292003
+C      1.60573195     -1.01920771      1.01956314
+C      0.99599004     -1.80650402      2.10500301
+O      1.74056357     -2.46325855      1.06369137
+H     -0.13983877      1.56549578     -0.53525832
+H     -0.29585415      0.99190189      1.20191801
+H     -0.99182794     -0.70218174     -1.33531816
+H     -1.17490378     -1.23492180      0.40581545
+H      1.43615998     -0.31765632     -1.02892730
+H      2.54395152     -0.50111711      1.26163959
+H     -0.08084266     -2.00472129      2.10165482
+H      1.46858150     -1.80779717      3.09366072 
+
+14
+-1436.216871945127 8.894879 9.72067 -9.3151 -7.2642 -11.258 0.9858 0.0928 3.006 10.44095 -2.83991 9.0004413064 12.1017899146 0.125163969
+C      0.90022237      0.00225134      1.02716995
+C      0.32724239      0.97940101     -0.02071151
+C     -1.20060851      0.79529188      0.09408700
+C     -1.21358658     -0.76681852      0.10335933
+C      0.31100378     -0.97763515     -0.00907767
+O      0.67968351     -0.00836048     -1.06504639
+H      1.99606560     -0.00687030      1.01972944
+H      0.49416351      0.01170101      2.04987173
+H      0.73407910      1.98157190     -0.20189801
+H     -1.61484732      1.24461204      1.00798915
+H     -1.71824644      1.21886787     -0.77585027
+H     -1.73823117     -1.19203706     -0.76156610
+H     -1.63514832     -1.19833590      1.02247735
+H      0.70110809     -1.98850964     -0.17830401 
+
+14
+-1437.8675950847141 9.008272 9.81903 -9.1551 -6.9771 -10.738 1.0079 0.1034 3.077 10.39623 -2.8042 8.625334062 11.0821662464 0.163607016
+C      0.80878358      1.32318006     -0.61301559
+C     -0.36153655      1.02796411      0.31144576
+C     -1.39645793      0.00901212     -0.17122939
+C     -0.69648358     -1.33571217      0.09647653
+O      0.72249340     -1.07588764      0.01556327
+C      0.92796230      0.26018885      0.44752596
+H      0.74180862      0.97729521     -1.64607548
+H      1.34860009      2.25989161     -0.46407018
+H     -0.65233262      1.77654729      1.04826450
+H     -2.33831240      0.09347595      0.38905355
+H     -1.62517529      0.13901248     -1.24023106
+H     -0.94784419     -1.71096369      1.10691061
+H     -0.92936428     -2.11800579     -0.63931717
+H      1.60996883      0.36922161      1.29397870 
+
+14
+-1447.5231258611807 8.891347 9.69098 -9.7118 -7.6025 -11.661 0.9652 0.0609 2.973 10.88821 -2.76052 9.0037145368 10.701665611 0.203292162
+C      0.78948816      1.37817826      0.24565409
+C     -0.70687572      1.23805097     -0.12654296
+C     -0.97080413     -0.25092773     -0.03323156
+O     -0.45450267     -0.86121999      1.17650116
+C      0.31472362     -0.97110740     -0.04775139
+C      1.44501432      0.03255944     -0.15071531
+H      1.26559462      2.23787156     -0.24441472
+H      0.88221658      1.52201550      1.32986309
+H     -0.89922492      1.56129865     -1.16399326
+H     -1.36243977      1.82881429      0.53074295
+H     -1.89784343     -0.68884712     -0.41542665
+H      0.41864559     -1.98660510     -0.44158890
+H      2.30176601     -0.22412046      0.48981858
+H      1.80362174      0.04720912     -1.19400514 
+
+12
+-1301.235190447252 8.699677 9.14421 -9.4441 -7.2298 -9.386 1.3022 -0.3734 1.044 8.89506 -0.45906 6.1069056328 6.1069056328 0.270735292
+C      0.96781591     -1.05972232     -0.02461583
+C     -0.48359099     -1.48829376     -0.07452089
+C     -1.32363702     -0.44334714      0.03048071
+C     -0.55168261      0.83068206      0.10593156
+O      0.25870208      1.08302541     -1.08652365
+C      0.88164165      0.45978983      0.05306564
+H      1.48758898     -1.47445852      0.85581558
+H      1.52951110     -1.38918400     -0.91399601
+H     -0.78573697     -2.52597821     -0.22310209
+H     -2.41199279     -0.49366001      0.02118193
+H     -0.93132130      1.72807851      0.59981286
+H      1.66854195      1.04562816      0.53608017 
+
+14
+-1446.5296533666958 9.505673 9.97606 -9.4055 -7.1011 -9.171 1.0259 0.0165 1.306 8.67577 -0.70401 6.2592596296 6.2592596296 0.356774086
+C      0.42324346      1.30144788      0.13281686
+C     -1.07048091      1.06265963     -0.08749758
+C     -1.38623871     -0.39965777      0.07513687
+C     -0.41625638     -1.32372281      0.06653070
+C      1.02366536     -0.96547925     -0.16663964
+O      1.21492345      0.37482406     -0.61872364
+H      0.73021133      2.30092533     -0.20549407
+H      0.66122555      1.21202726      1.21190522
+H     -1.36963589      1.41232250     -1.09117476
+H     -1.64938854      1.66211100      0.63562872
+H     -2.42937524     -0.69523926      0.21344498
+H     -0.64182680     -2.38171174      0.22522125
+H      1.61393978     -1.14614330      0.75873877
+H      1.45563352     -1.60788351     -0.95104368 
+
+16
+-1589.8138335199783 9.641359 10.48715 -9.3458 -7.2008 -11.37 0.9867 0.0685 3.034 10.71062 -2.85091 9.2517237326 11.1781190118 0.162959626
+C      0.74579721      1.28918765     -0.20600758
+C     -0.72525241      1.24399736      0.22902527
+C     -1.37840654     -0.05630884     -0.23885326
+O     -0.67493730     -1.21112313      0.23185642
+C      0.67423756     -1.22425411     -0.24732613
+C      1.46141959     -0.00000913      0.21959711
+H      0.79771762      1.38884792     -1.30537396
+H      1.25029652      2.17271903      0.21505749
+H     -1.28427164      2.10233241     -0.17757548
+H     -0.79287148      1.29902333      1.32845707
+H     -2.40400386     -0.15372532      0.14528781
+H     -1.42311780     -0.07827309     -1.34909300
+H      1.11679032     -2.15691446      0.13107718
+H      0.67120603     -1.27032085     -1.35770732
+H      1.55061873     -0.03389510      1.31834608
+H      2.48211746     -0.04064368     -0.19400770 
+
+12
+-1311.8869181408274 9.115261 9.30592 -8.342 -6.1402 -8.64 1.6814 -0.0388 1.031 8.40978 -0.73924 5.1036109208 11.0053941152 0.54175655
+C      1.50758059     -0.26690728      0.05290105
+C      0.43609055     -1.32457534     -0.00997160
+C     -0.86562002     -1.03174551     -0.10469749
+O     -1.39176809      0.24711426     -0.15654213
+C     -0.45809174      1.26718886     -0.10425143
+C      0.86496543      1.09469481     -0.00948469
+H      2.10862336     -0.37366503      0.97666627
+H      2.23272862     -0.39530109     -0.77390804
+H      0.71637571     -2.37812638      0.02145106
+H     -1.66152939     -1.77375013     -0.15216005
+H     -0.95049061      2.23754935     -0.15142743
+H      1.49031559      1.98768348      0.02229448 
+
+14
+-1451.628872589268 9.415512 9.90981 -8.4623 -6.2981 -9. 0.9552 0.0023 1.276 8.56316 -0.72705 6.0140153216 6.0140153216 0.281117705
+C      0.39477031      1.37442327      0.32226156
+C      1.34041118      0.30857251     -0.21887276
+O      0.99736117     -1.01546109      0.24971068
+C     -0.34527339     -1.28773107      0.20423207
+C     -1.32185168     -0.38970140     -0.01030543
+C     -1.03953400      1.08275219     -0.14036498
+H      0.73392688      2.36604561     -0.01338260
+H      0.44394377      1.36443473      1.42267824
+H      2.37687771      0.46903074      0.10629149
+H      1.31292597      0.29535921     -1.32362110
+H     -0.53215734     -2.34925938      0.37476453
+H     -2.34980008     -0.75169667     -0.04254472
+H     -1.18533762      1.42270694     -1.18154847
+H     -1.75600288      1.65983442      0.46702149 
+
+14
+-1386.584867246032 8.56632 9.27365 -9.2409 -7.0511 -11.176 1.0637 0.1512 3.007 10.85839 -3.18211 8.9870880142 12.3641194934 0.240881435
+C      0.70151253      1.17236893     -0.24051459
+C     -0.73784150      1.17046982      0.25308068
+O     -1.43211082      0.00195095     -0.20035603
+C     -0.73996531     -1.17359609      0.23795972
+C      0.69937741     -1.17169219     -0.25569233
+O      1.39365422     -0.00318823      0.19777882
+H      0.71541282      1.22509835     -1.34771532
+H      1.25560142      2.03133876      0.16557832
+H     -1.29038624      2.03565733     -0.14180339
+H     -0.75163501      1.20890701      1.36088409
+H     -0.75381959     -1.22628721      1.34515838
+H     -1.29405964     -2.03257990     -0.16809171
+H      1.25195336     -2.03689319      0.13911105
+H      0.71309634     -1.21005435     -1.36349768 
+
+12
+-1249.1722480930741 8.243109 8.64933 -8.2205 -6.0567 -9.106 0.9942 0.0402 1.052 8.75814 -0.58259 5.891504755 13.4164878642 0.313422643
+C      0.31557334      1.35353197      0.16792690
+C      1.35200912      0.28653390     -0.15837068
+O      0.97359130     -0.97815188      0.40879906
+C     -0.36685141     -1.23753552      0.20232964
+C     -1.25841572     -0.31694500     -0.20531995
+O     -0.95771642      1.01578353     -0.40559343
+H      0.60134246      2.32628926     -0.25425291
+H      0.20754617      1.44650654      1.26250518
+H      2.33128669      0.54106183      0.26870490
+H      1.44605815      0.17991130     -1.25299269
+H     -0.64129458     -2.27155462      0.39798353
+H     -2.29949909     -0.55920129     -0.40593954 
+
+14
+-1392.0671673473864 8.490324 9.25682 -9.8639 -7.7276 -11.774 0.9802 0.0544 2.982 11.45264 -2.76549 9.4773534554 14.0531435756 0.16839176
+C      0.69939596      1.24550133     -0.22347937
+C     -0.75743025      1.19632674      0.23598014
+O     -1.38781767     -0.01115246     -0.22049108
+C     -0.66629597     -1.13893132      0.23886078
+O      0.66195883     -1.19048453     -0.24767729
+C      1.39821902     -0.04372919      0.20706169
+H      0.73568166      1.33419285     -1.31971245
+H      1.20850159      2.12035034      0.21133520
+H     -1.34993919      2.02565851     -0.17301298
+H     -0.81091871      1.24199610      1.34341145
+H     -0.65139162     -1.13865881      1.35278915
+H     -1.18248187     -2.02730381     -0.14509029
+H      1.48708130     -0.07968559      1.31257221
+H      2.40444691     -0.13431014     -0.22355716 
+
+12
+-1222.2435492546476 8.094776 9.17188 -10.2129 -8.0005 -11.91 1.1027 0.2361 2.444 11.69849 -2.13748 9.1277997256 10.8513415102 0.631106953
+C      0.32455368      0.97412529     -0.21042385
+O     -0.78527305      0.19477728      0.27861674
+C      0.49244595     -0.45469593      0.10434462
+C      1.17072803     -0.89374952      1.36098943
+C      1.34002697     -2.32265291      1.67484759
+O      2.44870810     -1.54237931      1.18463549
+H      0.25034196      1.28643724     -1.25704171
+H      0.71092089      1.72474124      0.48743165
+H      0.54134749     -1.17074862     -0.72569384
+H      1.12247338     -0.17814560      2.19140558
+H      0.95320676     -3.07337165      0.97709326
+H      1.41624983     -2.63572750      2.72101505 
+
+14
+-1433.5467292747949 8.930147 9.73359 -9.184 -7.0257 -11.28 0.9722 0.087 2.906 10.60253 -2.69223 9.1009815538 13.3586607938 0.160571513
+C      0.93899954     -0.02058033      0.98078020
+C      0.34270938     -1.05073270     -0.03270430
+C      0.75161431     -0.03254131     -1.14629927
+C      0.32373079      0.96517213     -0.04236582
+O     -1.10433869      0.73444211      0.08480400
+C     -1.14823103     -0.72780595      0.09697384
+H      2.03620469     -0.01832910      0.97947948
+H      0.53855792      0.00152832      2.00398290
+H      0.63451895     -2.10754844     -0.05242993
+H      0.17836931     -0.02147162     -2.08387538
+H      1.83213734     -0.03136273     -1.33685919
+H      0.51559165      2.04337329     -0.06532733
+H     -1.75218223     -1.08812376     -0.75132033
+H     -1.59394192     -1.07792991      1.04194112 
+
+12
+-1237.3858765291618 7.845083 8.60142 -9.6716 -7.3969 -11.029 1.0347 0.1347 3.167 10.75467 -3.01484 8.593965604 12.8965649718 0.163368298
+C      0.74163723      1.34046189     -0.61269855
+C     -0.32567493      0.97069305      0.39533563
+O     -1.31089667      0.04954972     -0.06377942
+C     -0.71777493     -1.23179024      0.15637721
+O      0.68477817     -1.08627967     -0.07546691
+C      0.97767870      0.22889163      0.38763540
+H      0.56471961      1.04058725     -1.64554249
+H      1.27706801      2.27982485     -0.46365326
+H     -0.64863952      1.64939588      1.18640772
+H     -0.89906752     -1.56107832      1.20001793
+H     -1.12923396     -1.94721466     -0.56798131
+H      1.73316582      0.29390863      1.17232804 
+
+14
+-1442.2408793666768 9.000845 9.80867 -9.5786 -7.308 -10.832 0.981 0.0812 3.145 10.59426 -3.00484 8.7883012604 11.3578739146 0.190114894
+C      0.77895161      1.36468499     -0.60156097
+C     -0.34596449      0.91600178      0.30019510
+C     -1.34680693     -0.04627766     -0.31048500
+O     -0.56597908     -1.02774783     -1.01609535
+C      0.67520358     -1.18405100     -0.30481582
+C      0.97564589      0.17238678      0.30380935
+H      0.67738945      1.17901832     -1.67333025
+H      1.29658968      2.28575522     -0.33429976
+H     -0.65186753      1.53427181      1.14458839
+H     -1.95251939     -0.51885532      0.48836988
+H     -2.02593967      0.40640336     -1.04930532
+H      0.58226591     -1.94510701      0.49547817
+H      1.41768524     -1.53141979     -1.03966030
+H      1.65948572      0.23383635      1.15081190 
+
+12
+-1243.3374464009944 7.853243 8.51827 -9.8629 -7.5775 -11.352 0.9423 0.0386 2.756 10.91844 -2.58924 8.8456323868 11.8992587836 0.247922532
+C      0.66504824      1.23016005     -0.29010610
+O     -0.64799681      1.18739977     -0.87162305
+C     -1.37131523      0.07908926     -0.31257066
+C     -0.32522720     -0.89763775      0.17029052
+O      0.69183005     -1.18402803     -0.81491387
+C      0.95442445     -0.17435942      0.18436225
+H      1.35658500      1.58859241     -1.06710182
+H      0.70636429      1.92094497      0.57621752
+H     -1.99902413      0.39174374      0.54627466
+H     -2.02176177     -0.32123721     -1.10445294
+H     -0.57530358     -1.70297115      0.86651255
+H      1.76163669     -0.38201666      0.89226093 
+
+12
+-1309.3911689567942 9.487427 9.42337 -8.1075 -6.0037 -8.154 0.7605 -0.8755 0.333 7.78831 0.19726 4.33145091 7.4504179288 0.207672358
+C      0.25890290     -1.36421702      0.08361251
+O     -1.00335103     -0.85760300     -0.44647086
+C     -1.25700486      0.43303175     -0.09869267
+C     -0.28508868      1.32305889      0.21914813
+C      1.09633641      0.92020493      0.01679323
+C      1.38131543     -0.39041497     -0.13356295
+H      0.41785538     -2.32139475     -0.42799269
+H      0.10016541     -1.56084817      1.16463256
+H     -2.31366133      0.68472238     -0.20527746
+H     -0.55631559      2.34897608      0.46073000
+H      1.86478530      1.68701402     -0.09806928
+H      2.37487067     -0.75576014     -0.39359050 
+
+12
+-1252.144609819808 8.277548 8.7004 -8.9212 -6.7045 -9.197 1.0254 0.04 1.1 8.78581 -0.57837 6.047975087 6.047975087 0.288285135
+C      0.35211414      1.26302322      0.02077621
+O      1.22680721      0.36287494     -0.60419521
+C      1.03812783     -0.96929659     -0.08550866
+C     -0.42017046     -1.27339381      0.08460550
+C     -1.34261475     -0.31187626     -0.08100707
+O     -1.03032919      1.00713773     -0.29072320
+H      0.57367546      2.26456126     -0.36406634
+H      0.45491683      1.21442346      1.12275113
+H      1.60642773     -1.09190227      0.85881323
+H      1.49497230     -1.63577517     -0.83365545
+H     -0.73437892     -2.29704243      0.28509975
+H     -2.41951817     -0.48255407     -0.06681990 
+
+16
+-1574.4407069919134 9.935445 11.17956 -9.9639 -7.6761 -11.365 0.9577 0.0353 2.995 11.0258 -2.71085 9.1827255236 11.3232818206 0.146427731
+C      1.02911989     -0.05125447     -0.00340958
+C      2.53983219     -0.02657351     -0.05317322
+C      3.28176205     -0.62387538     -1.22645765
+C      3.26310861      0.88134715     -1.02061681
+C      4.53023716      1.58588190     -0.60891328
+O      5.39610521      1.87866360     -1.71475975
+H      0.63608118      0.75157578      0.63869005
+H      0.65900735     -1.00982931      0.39118655
+H      0.59936166      0.08364727     -1.00717658
+H      3.03160397     -0.15378987      0.91639408
+H      2.69033395     -1.03651924     -2.04556676
+H      4.21357174     -1.15736880     -1.02450364
+H      2.63017263      1.44965613     -1.70860420
+H      5.05733930      0.97926973      0.15452227
+H      4.30396112      2.56289240     -0.15453108
+H      5.50200200      1.04996661     -2.21623040 
+
+16
+-1574.4330805747657 9.911822 11.01102 -9.0484 -6.9035 -10.613 0.9276 -0.0427 2.974 10.29791 -2.67635 8.3037515738 10.405711029 0.206100597
+C      1.03339192      0.07811242     -0.10492132
+C      2.54397590      0.01853641     -0.05203923
+C      3.35968630     -0.68144194     -1.13925350
+C      3.45663999      0.81609316     -0.95575755
+C      2.92700599      1.75687985     -2.00826305
+O      4.64803075      1.37293588     -0.41071658
+H      0.64377372      0.93414635      0.46693285
+H      0.59201045     -0.83760997      0.31758107
+H      0.66589942      0.17079848     -1.13649236
+H      2.94228794     -0.11376185      0.96088361
+H      2.82424661     -1.05948357     -2.01352688
+H      4.21158867     -1.29238884     -0.83398512
+H      2.02721346      1.35716229     -2.49065068
+H      3.69115217      1.91300716     -2.78327569
+H      2.68365526      2.73339998     -1.56416686
+H      4.94051145      0.80700419      0.32432130 
+
+14
+-1446.3673035824681 9.670029 10.56743 -9.4296 -7.3293 -10.803 1.0949 -0.7339 0.029 9.81641 0.59667 3.7190344616 7.298807848 0.254623774
+C      1.01044601      0.02151970     -0.06832165
+C      2.52010459     -0.01021729     -0.02312087
+C      3.31711745     -0.72447922     -1.05946226
+C      3.31152163      0.80588499     -1.05184984
+C      4.52986434      1.49710169     -0.59260984
+O      4.92683542      2.57649592     -1.00065608
+H      0.61522205      0.92407258      0.41960471
+H      0.58795767     -0.85474137      0.44597914
+H      0.64463741      0.00931579     -1.10514720
+H      2.95408374     -0.00532329      0.98147999
+H      2.78960357     -1.19495285     -1.89001352
+H      4.24389966     -1.21892575     -0.76334686
+H      2.74602443      1.31993813     -1.83101701
+H      5.09883203      0.93968094      0.20305130 
+
+16
+-1578.7651757413207 9.843337 10.90816 -9.7607 -7.5416 -11.45 0.9726 0.0189 2.816 11.11462 -2.5888 9.2800917294 9.880878291 0.097541469
+C      0.94185001     -0.01543718     -0.00868651
+C      2.45828687      0.03478650      0.05845377
+C      3.17843602      1.07108827      0.96954800
+C      4.26619155      0.00329644      1.26558137
+C      3.23444004     -1.06766204      0.83169792
+O      3.64753236     -2.25748486      0.17848620
+H      0.60062094     -0.90079037     -0.56600322
+H      0.52770486      0.87433232     -0.50679100
+H      0.50728196     -0.06562081      1.00201298
+H      2.88622083      0.10267246     -0.95899938
+H      2.57812888      1.29517141      1.86428833
+H      3.49891201      2.01658549      0.51349847
+H      5.08950967      0.06580846      0.53572138
+H      4.69074924     -0.06147446      2.27618132
+H      2.64228185     -1.40484128      1.69843906
+H      4.20068291     -1.99640035     -0.58014871 
+
+16
+-1574.705709804674 9.922079 10.9767 -9.571 -7.3612 -10.83 0.9404 -0.0158 3.013 10.50054 -2.69212 8.6517182828 10.655914777 0.261982642
+C      0.87595552      0.05937136     -0.27778048
+C      2.34480238     -0.00698408      0.09543147
+C      2.62031065     -0.05236198      1.58550893
+C      3.27302702     -0.78904146     -0.82716603
+C      3.31565050      0.72433533     -0.79790696
+O      4.40552807      1.38627787     -0.18967426
+H      0.73586086      0.12381685     -1.36659826
+H      0.39425293      0.93901472      0.17781994
+H      0.34248425     -0.83775006      0.07460848
+H      3.69651223     -0.02900644      1.79633871
+H      2.19409134     -0.96651779      2.02742500
+H      2.16275814      0.81264003      2.09113443
+H      2.85517198     -1.28659967     -1.70461787
+H      4.11114763     -1.30461490     -0.35453429
+H      2.88496530      1.25913753     -1.65380340
+H      5.17719120      1.27423269     -0.77226543 
+
+16
+-1571.9206528897303 9.87202 11.10559 -9.1052 -6.8939 -10.776 0.942 -0.0006 3.114 10.78761 -2.84653 8.5493554412 10.6132759916 0.261439792
+C      0.99199513      0.01195992     -0.02058265
+C      2.50376019     -0.04302550      0.01136481
+C      3.34563548     -0.77945561     -1.04367865
+C      2.74613579     -1.52226022     -2.21772459
+C      3.35296913      0.72491771     -0.96787533
+O      4.48786187      1.48074125     -0.59036190
+H      0.62197272      0.86549586      0.56742541
+H      0.54469681     -0.90297188      0.39830438
+H      0.60750133      0.12908803     -1.04335150
+H      2.92608577     -0.10551077      1.02035125
+H      4.24003093     -1.25504330     -0.62600577
+H      1.87997113     -0.99297909     -2.63848217
+H      2.40968150     -2.53037593     -1.92958457
+H      3.48527689     -1.63364352     -3.02538334
+H      2.82408687      1.25880995     -1.76211044
+H      4.96194846      0.98828310      0.10230507 
+
+14
+-1452.2009244814592 9.339586 10.21739 -9.1647 -7.0841 -10.397 0.8953 -0.8129 0.353 9.59345 0.41473 3.7477372206 8.1352669984 0.123682727
+C      0.91730991     -0.01252014      0.07961754
+C      2.43588978      0.04926414      0.01592648
+C      3.23167424      1.09792996      0.85984634
+C      4.22188093     -0.00763630      1.33427793
+C      3.24461485     -1.03987462      0.74954368
+O      3.08851918     -2.23010496      0.90392944
+H      0.54662852     -0.92321829     -0.41102092
+H      0.46235507      0.85514925     -0.41925871
+H      0.56899935     -0.02820755      1.12299171
+H      2.77753695      0.07263532     -1.03469449
+H      2.62735887      1.49284728      1.68819699
+H      3.66812663      1.93584477      0.30333702
+H      5.17948033     -0.00688291      0.79169025
+H      4.42888540     -0.10156597      2.40901672 
+
+12
+-1329.3983617253937 9.337453 9.76128 -8.4062 -6.3063 -8.121 0.957 0.1058 0.61 7.68947 -0.06158 4.479180229 6.8770322732 0.447405242
+C      0.98133195     -0.04036933     -0.00728051
+C      2.45958786      0.11052242      0.00058686
+C      3.30463711      1.18825180      0.00309567
+C      4.64248640      0.66970858      0.01042036
+C      4.52351528     -0.68931932      0.01194278
+O      3.19854760     -1.05344803      0.00594983
+H      0.50803441      0.94882455      0.00015208
+H      0.62908304     -0.59793036      0.87397712
+H      0.63609727     -0.58106096     -0.90184115
+H      3.00421624      2.23185301      0.00005756
+H      5.57038810      1.23344779      0.01424120
+H      5.23545473     -1.50704014      0.01705821 
+
+16
+-1589.585049866922 9.731611 10.72292 -9.2716 -7.0844 -11.295 0.9739 0.0466 3.098 10.60458 -2.83324 9.1363671582 10.9530224288 0.125996346
+C      1.01495074     -0.04366900      0.01577292
+C      2.52956625      0.04329214      0.06862620
+C      3.10834023      1.19507818      0.89366980
+C      4.51497027      0.67494285      1.21529749
+C      4.28375589     -0.83947089      1.37023124
+O      3.04308131     -1.14965438      0.70113655
+H      0.69876829     -0.94348704     -0.52933143
+H      0.59834283      0.83349665     -0.50017733
+H      0.59704509     -0.08922275      1.03207127
+H      2.92980377      0.10232714     -0.96642313
+H      2.51541454      1.32111784      1.81440540
+H      3.11204455      2.14944950      0.34908743
+H      5.19576334      0.87816777      0.37482186
+H      4.95101964      1.12559456      2.11699818
+H      5.10012060     -1.43327399      0.92547807
+H      4.18070267     -1.13444857      2.42830548 
+
+14
+-1451.4621272562558 9.791366 10.34656 -8.381 -6.2547 -9.053 0.8914 -0.0299 1.383 8.49395 -0.80998 6.209528845 6.209528845 0.40257247
+C      1.06702645     -0.06562013      0.11122319
+C      2.38465239      0.03242092     -0.11292968
+C      3.27442681      1.25057073     -0.00685808
+C      4.48264667      0.85744897     -0.86983614
+C      4.52252857     -0.65519209     -0.65633653
+O      3.13959405     -1.05751003     -0.50232392
+H      0.54721782     -1.01704969      0.01470124
+H      0.49955892      0.81647503      0.39829619
+H      3.58208317      1.39474960      1.04242376
+H      2.76743312      2.16521488     -0.33739431
+H      4.29087627      1.08691005     -1.92842199
+H      5.41618894      1.35047134     -0.56941501
+H      4.93761767     -1.22098388     -1.50098919
+H      5.07590915     -0.92336571      0.26117046 
+
+12
+-1310.0017384413513 9.532332 9.74017 -8.22 -6.0978 -8.729 1.4796 -0.1203 1.094 8.38862 -0.52096 5.6181900166 11.9413272334 0.223865196
+C      1.08048266      0.07117799      0.11734116
+C      2.38964101     -0.04910844     -0.12556395
+C      3.28460321     -1.27705694     -0.12721270
+C      4.62455773     -0.68291835     -0.48288578
+C      4.46321470      0.63500524     -0.63956136
+O      3.16387495      1.07713509     -0.44168065
+H      0.58738466      1.04040371      0.07604447
+H      0.48982500     -0.80891861      0.36128416
+H      2.94184453     -2.02480344     -0.86136261
+H      3.28798279     -1.77450057      0.85683885
+H      5.55573719     -1.22998874     -0.59152923
+H      5.16762157      1.42256307     -0.89417235 
+
+14
+-1453.043681192315 9.609998 10.34659 -8.0518 -5.9844 -8.639 0.9773 0.0762 1.368 8.15717 -0.77572 5.7187550612 5.7187550612 0.25566876
+C      1.04607621      0.08355447      0.00525847
+C      2.52300907     -0.07931865     -0.06903319
+C      3.29562571     -1.17802359     -0.11006021
+C      4.74846535     -0.76493034     -0.08015856
+C      4.62555220      0.75149370     -0.33238976
+O      3.23294492      1.10819562     -0.06901059
+H      0.55036061     -0.89393613      0.00514288
+H      0.67566509      0.67326163     -0.84654654
+H      0.76498904      0.62319151      0.92238403
+H      2.93204764     -2.20146743     -0.08566799
+H      5.21497060     -0.98976928      0.89589871
+H      5.36316622     -1.25073568     -0.85282595
+H      4.83353903      1.00295209     -1.38558572
+H      5.25437831      1.37267208      0.31802442 
+
+16
+-1574.8456439946779 9.738669 10.73228 -9.2366 -7.1202 -11.314 0.9388 0.0134 2.859 10.63674 -2.55703 9.1193810762 14.101795682 0.143902133
+C      1.03028946     -0.09931484      0.22421519
+C      2.50523442      0.07452208     -0.10846216
+C      2.75674348      0.12604595     -1.60864030
+C      3.26007264      1.14054701      0.73264246
+C      4.04045562     -0.04586145      1.32044654
+O      3.30417917     -1.00548059      0.51198517
+H      0.88066567     -0.15704901      1.31109591
+H      0.64624277     -1.02659158     -0.22573565
+H      0.44099693      0.74404358     -0.16696757
+H      3.83042619      0.22341114     -1.81996761
+H      2.23094646      0.98031507     -2.06176701
+H      2.39394330     -0.79550789     -2.08717946
+H      2.63242079      1.69124197      1.44483772
+H      3.85489889      1.85155543      0.14511154
+H      5.11973402     -0.06818256      1.09461408
+H      3.89610019     -0.22772433      2.39853115 
+
+14
+-1450.3411975999916 9.434351 10.00265 -8.2811 -6.108 -8.918 0.9798 0.0622 1.293 8.5179 -0.75081 5.8810403366 11.8832645896 0.294610385
+C      0.97596254     -0.00033673      0.07073133
+C      2.48430432     -0.01296400     -0.11397617
+C      3.01993020     -1.26520851     -0.86085634
+C      3.47136990     -0.68291043     -2.17876741
+C      3.35509793      0.65010074     -2.11961672
+O      2.86080946      1.15194444     -0.94350255
+H      0.64305253      0.95030538      0.50857403
+H      0.67109642     -0.81776968      0.74076108
+H      0.47147472     -0.13694903     -0.89704329
+H      2.99149132      0.13661658      0.85090385
+H      2.22723738     -2.02347950     -0.97634672
+H      3.84933555     -1.74737293     -0.31655032
+H      3.84707479     -1.24989123     -3.02557017
+H      3.59851295      1.40684491     -2.86374059 
+
+16
+-1575.6737028691205 9.847452 10.99921 -9.2283 -7.1163 -11.311 0.9637 0.0667 3.017 10.64464 -2.81139 9.223752491 13.312810771 0.14884354
+C      0.96118371     -0.10038699      0.25706365
+C      2.39589646      0.15411708     -0.15813968
+C      3.21468884      1.17206043      0.66450788
+C      4.12150147     -0.02416346      1.02566070
+C      5.56124658      0.01346075      0.55521489
+O      3.29491952     -0.93673654      0.22972191
+H      0.57068920     -0.99849126     -0.24235866
+H      0.32519235      0.75292958     -0.02557001
+H      0.88815443     -0.24941262      1.34432481
+H      2.45133132      0.31552868     -1.25033727
+H      2.67280963      1.62224321      1.50678533
+H      3.70657142      1.96229340      0.08195604
+H      4.07890452     -0.31221417      2.09192546
+H      5.62113879      0.31282599     -0.50135371
+H      6.02539249     -0.97747321      0.66103370
+H      6.14124928      0.72951913      1.15786498 
+
+12
+-1326.8169873735098 9.20624 9.64869 -8.5493 -6.4757 -8.308 0.9494 0.1071 0.554 7.81143 -0.04111 4.592007489 11.9811639352 0.48203237
+C      0.92362878      0.02941095     -0.00801234
+C      2.42096514     -0.00203526     -0.00069152
+C      3.27529689      1.06684722      0.00326706
+O      4.58605392      0.65413622      0.00918251
+C      4.55687127     -0.71581895      0.00870675
+C      3.26857587     -1.16639680      0.00292121
+H      0.54715486      1.06082327      0.00058925
+H      0.50882075     -0.48708678      0.87070884
+H      0.51770977     -0.46899072     -0.90129343
+H      3.12068736      2.14067876      0.00281716
+H      5.52343768     -1.20754720      0.01324823
+H      2.95197772     -2.20572072      0.00160628 
+
+16
+-1586.95079344597 9.657404 10.62271 -9.33 -7.075 -11.372 0.9346 0.0067 2.964 10.68186 -2.69583 9.1927807882 11.3401687138 0.199428622
+C      0.96577115     -0.00697068     -0.04681811
+C      2.48947091      0.02103677      0.02848141
+C      3.08353008      1.14031946      0.89963506
+C      4.49590210      0.62295535      1.16720636
+O      4.40277386     -0.81834125      1.19335940
+C      3.11364688     -1.21491100      0.68964246
+H      0.60777781     -0.85438093     -0.65019902
+H      0.57278969      0.91290852     -0.50355934
+H      0.52575809     -0.09953531      0.95859048
+H      2.90401207      0.11717597     -0.99090390
+H      2.51429142      1.22068700      1.84084535
+H      3.07467585      2.12340758      0.40819179
+H      5.19140620      0.92618299      0.36194713
+H      4.91240993      0.96227746      2.12841157
+H      3.25531708     -2.05440167     -0.00962135
+H      2.48012687     -1.56519026      1.52901071 
+
+14
+-1443.475774501141 9.64419 10.25475 -9.4253 -7.1446 -9.325 1.2991 -0.2034 1.274 8.72349 -0.65182 6.3743186376 6.3743186376 0.408651404
+C      1.01959991     -0.02429188      0.24396143
+C      2.33418578      0.03794665      0.01040712
+C      3.20129358      1.27879134     -0.06762403
+C      4.47806067      0.73859616     -0.72478652
+O      4.58956690     -0.61226694     -0.25181162
+C      3.25610110     -1.14052697     -0.25393640
+H      0.49187334     -0.97930556      0.28553440
+H      0.42349726      0.87563693      0.40326041
+H      3.42698831      1.64495881      0.94697886
+H      2.72804028      2.09490013     -0.63036307
+H      4.38660794      0.75453005     -1.82927175
+H      5.39605673      1.26679098     -0.43615810
+H      3.02288425     -1.59702735     -1.23759047
+H      3.20070395     -1.92423235      0.51540973 
+
+14
+-1447.4325710935534 9.656297 10.25045 -8.9364 -6.6137 -8.769 0.8831 -0.0144 1.352 8.28688 -0.71516 5.8965385866 5.8965385866 0.315889831
+C      0.97684229      0.03250685      0.02832446
+C      2.46847712     -0.04067671      0.01224386
+C      3.26344775     -1.11635578     -0.06166816
+C      4.70387204     -0.70668570     -0.04639108
+O      4.69088781      0.73206714      0.04258918
+C      3.33111759      1.19229250      0.08322251
+H      0.52272339     -0.96501335     -0.02711813
+H      0.60049917      0.62899542     -0.81858409
+H      0.61425653      0.52478687      0.94528042
+H      2.93565344     -2.15423246     -0.12438315
+H      5.25700447     -1.12331425      0.81822692
+H      5.24528127     -1.01293994     -0.96287532
+H      3.14360846      1.87941916     -0.76633033
+H      3.15821866      1.76659025      1.01564292 
+
+16
+-1569.7615276518875 9.71401 10.63632 -9.4619 -7.2091 -11.454 0.8792 -0.0677 2.7 11.66698 -2.40003 9.205278577 13.7072474328 0.150830523
+C      0.87147070     -0.02222658      0.12405657
+C      2.38920356     -0.00660453     -0.02668928
+C      2.81417190      0.01960557     -1.49431357
+C      3.14841686      1.02408725      0.85005446
+O      3.96461628     -0.01558378      1.46078433
+C      3.16637841     -1.05018499      0.81855156
+H      0.57373651     -0.04036986      1.18265779
+H      0.43603783     -0.90687472     -0.36629809
+H      0.42023124      0.86850564     -0.34031517
+H      3.90983631      0.02999252     -1.58957926
+H      2.41962900      0.91377528     -2.00172798
+H      2.43402563     -0.86457009     -2.02944998
+H      2.52122701      1.53910384      1.59992903
+H      3.76438286      1.76563610      0.31415431
+H      3.79490289     -1.76441696      0.26058120
+H      2.54831301     -1.59843469      1.55227406 
+
+14
+-1451.9145818982367 9.36237 10.27147 -9.2464 -7.1505 -10.511 1.0748 -0.7498 0.327 9.65881 0.43005 3.7563914434 13.3811022598 0.134415354
+C      0.93340302     -0.01392070      0.09039430
+C      2.45173133      0.02320904      0.01075585
+C      3.19603214      1.09651577      0.87076578
+C      4.12257579     -0.02112254      1.36989153
+O      5.18145405     -0.03430578      1.95566494
+C      3.24098050     -1.11020588      0.74349896
+H      0.52733483     -0.89059859     -0.43567102
+H      0.48638893      0.88362752     -0.36222987
+H      0.59523030     -0.06506882      1.13759150
+H      2.77703045      0.09014196     -1.03850625
+H      2.57658337      1.49398178      1.69186360
+H      3.68368075      1.93945401      0.36161768
+H      3.76176481     -1.86749296      0.14114999
+H      2.64035974     -1.62544481      1.51123300 
+
+16
+-1575.5885081560054 9.807473 10.81881 -9.7916 -7.5467 -11.561 0.9194 -0.0549 2.869 11.20342 -2.65757 9.4087520016 14.1295933432 0.137354177
+C      0.90333445     -0.01073948      0.07678782
+C      2.42166690      0.01362425      0.00846478
+C      3.19030896      1.07019243      0.85811265
+C      4.22379314     -0.02194872      1.25703457
+O      5.47014673      0.02800805      0.56094566
+C      3.21940544     -1.09812030      0.75436427
+H      0.49129060     -0.88340789     -0.45269057
+H      0.46560031      0.89185080     -0.37645247
+H      0.56087709     -0.06065161      1.12278558
+H      2.73780074      0.06829526     -1.04717636
+H      2.59710404      1.40494058      1.72353327
+H      3.59720610      1.95531528      0.34785573
+H      4.50089954     -0.06904104      2.31888142
+H      5.28173179      0.07084038     -0.39396684
+H      3.64921787     -1.91913623      0.16225144
+H      2.63652628     -1.52996175      1.58299906 
+
+12
+-1276.0297194398172 8.091445 8.97569 -10.2701 -8.1319 -11.4 0.7389 -0.2056 0.139 10.444 0.4855 4.3774125202 11.755546611 0.135321982
+C      1.02769823     -0.09423046      0.11126641
+C      2.49410645      0.19228023     -0.09726226
+C      3.19794108      1.17017891      0.85891748
+C      4.00622177     -0.05312648      1.28256181
+O      4.89313537     -0.31372790      2.04853105
+O      3.35491997     -0.91810011      0.41767917
+H      0.72093434     -0.98394535     -0.45490710
+H      0.42675285      0.75783862     -0.23850943
+H      0.80779829     -0.26462774      1.17464535
+H      2.73996168      0.34788124     -1.15759951
+H      2.57396437      1.58791573      1.65933377
+H      3.79866560      1.96485331      0.40057327 
+
+16
+-1573.0713889222984 9.804457 10.93477 -9.3246 -7.1438 -11.332 0.936 0.0378 2.869 10.70704 -2.61432 9.167958791 9.969900239 0.099626298
+C      0.86958936      0.04775300      0.04939525
+C      2.38750205     -0.01298976      0.02732712
+C      3.18961572      0.96376193      0.90989706
+O      4.01451753     -0.11622848      1.43354842
+C      3.10706588     -1.10991788      0.85115628
+C      3.83674759     -2.22703606      0.14178435
+H      0.42761853     -0.81182803     -0.47673712
+H      0.49876813      0.95970422     -0.44213063
+H      0.48910845      0.04381725      1.08226335
+H      2.76253762     -0.00682629     -1.00845728
+H      2.58592825      1.43415944      1.70873196
+H      3.79436942      1.73424671      0.40688650
+H      2.44793012     -1.52076406      1.64254482
+H      4.48452130     -1.82819935     -0.65191053
+H      3.11657787     -2.92874044     -0.30609894
+H      4.46173217     -2.78993220      0.85012939 
+
+14
+-1378.8416897205962 8.735446 9.83188 -9.5568 -7.2529 -10.983 0.9294 -0.0472 3.045 10.73158 -2.76819 8.6726471196 10.727020748 0.192794672
+C      1.00687625      0.03866974      0.08668330
+C      2.50610219     -0.15043960      0.03447141
+C      3.18241268     -0.80630806     -1.15213886
+O      2.35330150     -1.26338757     -2.19751206
+C      3.36128521      0.66773483     -0.91857068
+O      4.65263899      1.10275527     -0.55005645
+H      0.73980949      0.89128601      0.72877032
+H      0.51161277     -0.85707510      0.48952754
+H      0.59482044      0.21592684     -0.91501413
+H      2.99046498     -0.38271459      0.98736431
+H      4.05150989     -1.43465822     -0.92570007
+H      2.84531003     -1.15722579     -3.03085303
+H      2.81556663      1.32636501     -1.60677678
+H      4.54954897      1.81677122      0.10405517 
+
+12
+-1272.880916992264 8.021213 8.86798 -10.2408 -8.1031 -11.29 0.9845 -0.3868 0.151 10.40234 0.48979 4.3647907454 12.3295769938 0.124810431
+C      0.91001812     -0.01355401      0.04321229
+C      2.43014553      0.06826888      0.00956123
+C      3.15352884      1.05444352      0.94348143
+O      3.85221852     -0.06588038      1.61473614
+C      3.19516217     -0.99097057      0.81376579
+O      3.28455413     -2.18709422      0.85346794
+H      0.56591508     -0.91921568     -0.47400993
+H      0.45996616      0.85568105     -0.45616425
+H      0.53598743     -0.05068682      1.07626200
+H      2.80303753      0.10769294     -1.02507124
+H      2.51474977      1.58447939      1.66244053
+H      3.88119673      1.73418590      0.48308808 
+
+12
+-1310.3547754978472 10.056914 9.70118 -7.9494 -5.9033 -8.244 0.8425 -0.7146 0.25 7.78042 0.26664 4.788401313 4.788401313 0.533142299
+C      0.97424517     -0.01278845     -0.13447421
+C      2.31499078      0.04300216      0.00129783
+C      3.26577931     -1.14305296     -0.00335615
+O      4.60879940     -0.59221192      0.18900817
+C      4.45212106      0.76022413      0.28103008
+C      3.17731499      1.19890352      0.18238923
+H      0.45102423     -0.96086147     -0.26177500
+H      0.36971758      0.89376817     -0.12089443
+H      3.26907507     -1.68851655     -0.95855789
+H      3.07983867     -1.85138485      0.81704121
+H      5.37803465      1.31422200      0.42390148
+H      2.85594909      2.23506623      0.23296969 
+
+14
+-1449.8388850316296 9.574446 10.21932 -8.05 -5.8938 -8.62 0.916 0.0145 1.357 8.18209 -0.76543 5.6875105892 5.6875105892 0.241139566
+C      0.97867792      0.01615989      0.04863167
+C      2.46648065      0.03144845     -0.05783310
+C      3.30418871     -1.01215982     -0.15361124
+O      4.64649059     -0.70698970     -0.19533233
+C      4.71276303      0.75024260     -0.32353107
+C      3.31264193      1.28903800      0.02636644
+H      0.58402615     -1.00817125      0.00370583
+H      0.50604617      0.59466455     -0.76271043
+H      0.63820514      0.46688317      0.99667025
+H      3.08425081     -2.07849845     -0.18249891
+H      4.98227975      0.97232308     -1.36890444
+H      5.51406854      1.10300738      0.33800081
+H      2.99011592      2.07120849     -0.67869492
+H      3.26640469      1.72713359      1.04035145 
+
+16
+-1573.607332812878 9.864845 10.89932 -10.0393 -7.7639 -11.253 0.922 -0.0771 2.818 10.88342 -2.4849 8.8908996754 11.1819377806 0.208648786
+C      0.83994808      0.20051545     -0.30067566
+C      2.30748939      0.05135549      0.05258811
+C      2.62516959      0.08742439      1.53633041
+O      2.10192451     -1.02275941      2.28086456
+C      3.17354808     -0.82628595     -0.82094218
+C      3.33555152      0.67748506     -0.86646513
+H      0.69287516      0.20342129     -1.39003615
+H      0.42741061      1.14270737      0.09573962
+H      0.24056089     -0.63331859      0.10046295
+H      2.26835194      1.04434653      1.96638711
+H      3.71444907      0.04450528      1.68591183
+H      1.13106373     -0.96865893      2.25092048
+H      2.70392127     -1.31532094     -1.67592308
+H      3.95308133     -1.41521683     -0.33559410
+H      4.23219198      1.11097977     -0.41917745
+H      2.97142285      1.20806003     -1.74779133 
+
+14
+-1447.6624622608456 9.502284 9.99432 -8.3575 -6.2083 -8.925 0.9766 0.0146 1.258 8.51486 -0.71191 5.8649221566 5.8649221566 0.237860857
+C      0.95471409      0.00455391     -0.06439636
+C      2.49175590      0.01100886     -0.02456781
+C      3.10471649     -1.23870421      0.65471614
+O      3.54962294     -0.83170958      1.98949363
+C      3.56625834      0.54133633      1.96723477
+C      3.04764550      1.10480417      0.86790300
+H      0.57763666     -0.82127735     -0.68702679
+H      0.56865340      0.94520279     -0.48336765
+H      0.54242194     -0.10721920      0.94919787
+H      2.87272632      0.09455906     -1.05589560
+H      3.99400417     -1.60189539      0.11557287
+H      2.39243520     -2.06533841      0.78307967
+H      3.98714778      0.99872239      2.86107873
+H      2.95153128      2.17152664      0.68524753 
+
+14
+-1391.5572423096864 8.549563 9.46783 -9.8345 -7.494 -11.521 0.9639 0.0222 2.897 11.06176 -2.62429 9.2643827032 10.9481001846 0.12972724
+C      1.01272210     -0.04092720      0.00167445
+C      2.51954784     -0.02810982      0.14775365
+C      3.10515985      1.15314493      0.94356721
+O      4.21925010      0.59578578      1.66438369
+C      4.24853267     -0.79880047      1.34582911
+O      2.94923600     -1.16091438      0.93038356
+H      0.68263038     -0.94477810     -0.52704076
+H      0.67942989      0.83295050     -0.57573506
+H      0.53220808     -0.01472848      0.98972958
+H      3.00548453     -0.08066180     -0.84800038
+H      2.37471760      1.55196802      1.66839542
+H      3.45008853      1.96878723      0.28770698
+H      4.98391678     -0.97843040      0.53180559
+H      4.51112565     -1.37544581      2.24439699 
+
+12
+-1251.2499334427755 8.588289 9.08246 -8.8797 -6.6991 -9.319 0.9618 0.0441 1.17 8.79227 -0.61985 6.262098909 6.262098909 0.39987507
+C      1.07170543     -0.06185324      0.10880590
+C      2.38427545      0.00836467     -0.13473392
+C      3.32317020      1.18918795     -0.00281759
+O      4.47054619      0.78716710     -0.76784000
+C      4.50518498     -0.61319486     -0.61620056
+O      3.13621408     -1.06022336     -0.57458319
+H      0.52410013     -0.99534129     -0.00279590
+H      0.53188547      0.82874056      0.42253020
+H      3.59887115      1.36124400      1.05578284
+H      2.92605249      2.11688056     -0.43203379
+H      5.00389716     -1.06253821     -1.48480166
+H      4.99859726     -0.90866387      0.33212769 
+
+12
+-1251.3041502738822 8.422394 9.07731 -7.9949 -5.8126 -8.816 0.9462 0.0525 1.084 8.4379 -0.5675 5.5382190466 11.5487627602 0.323322398
+C      1.04653070      0.08348663     -0.00020816
+C      2.51971390     -0.04447979     -0.06979833
+C      3.35070624     -1.09336806     -0.14627366
+O      4.68530960     -0.68282466     -0.07921106
+C      4.59469237      0.72593235     -0.32983695
+O      3.27259867      1.13581925      0.04469558
+H      0.57854844     -0.90746160     -0.04025681
+H      0.65545743      0.69132140     -0.83009355
+H      0.74506602      0.57344163      0.93872457
+H      3.16200900     -2.15956911     -0.18028996
+H      4.73782009      0.91183931     -1.41622574
+H      5.33589755      1.25969264      0.27855407 
+
+14
+-1376.2788273841504 8.634653 9.63447 -9.9037 -7.7196 -11.87 0.8573 -0.2166 2.478 11.10489 -2.17997 9.1400495424 11.0499794808 0.192405835
+C      0.82108130      0.08906494     -0.29145952
+C      2.27104935     -0.09558582      0.08757014
+C      2.60537455     -0.01417284      1.57019062
+O      2.00706472     -1.06185746      2.34337327
+C      3.18872981     -0.83005834     -0.80087965
+O      3.22761866      0.61311026     -0.74282878
+H      0.69923800      0.06108699     -1.38156630
+H      0.44677782      1.05882528      0.07153393
+H      0.19940778     -0.70844374      0.14279387
+H      2.31467515      0.98175114      1.95330261
+H      3.69248796     -0.11440817      1.69602253
+H      1.07109923     -0.83903615      2.48328584
+H      2.80882577     -1.24479659     -1.74090899
+H      4.06023990     -1.33923950     -0.37505957 
+
+16
+-1576.5058083481413 9.863563 11.06621 -9.6075 -7.5679 -11.488 0.9035 -0.0003 2.677 10.77707 -2.38148 9.0283009606 10.6838240256 0.313913426
+C      1.03706638      0.05687259     -0.13159804
+C      2.53614121      0.18179879     -0.05714980
+O      3.31692941     -0.44087169     -1.10511227
+C      3.38401675      1.00629582     -0.95150774
+C      2.80281506      1.80724033     -2.09570502
+C      4.71401633      1.51184458     -0.43214375
+H      0.56210284      0.75334172      0.57601445
+H      0.73171341     -0.96232215      0.14715560
+H      0.65194175      0.26082409     -1.13771239
+H      2.94722942     -0.00131552      0.94699571
+H      1.87179884      1.36971382     -2.47271852
+H      3.52066995      1.84229609     -2.92893809
+H      2.60422326      2.84312289     -1.78114587
+H      5.08446029      0.87334506      0.38025068
+H      4.62165455      2.54214558     -0.05640991
+H      5.46294055      1.51292800     -1.23862504 
+
+14
+-1428.3017695760514 9.918122 10.81159 -9.5094 -7.2978 -9.525 1.4821 -0.1704 1.153 9.04119 -0.59609 6.525259194 6.525259194 0.455163736
+C      1.00560098     -0.09668338     -0.07995301
+C      2.49692600      0.09215168     -0.02737783
+O      3.26746598     -0.47823362     -1.10704273
+C      3.23263771      0.95804088     -0.98499295
+C      4.49350725      1.65158145     -0.62618209
+C      5.66039032      1.03320447     -0.40920543
+H      0.50584951      0.59568649      0.61382702
+H      0.73766786     -1.12169400      0.21538021
+H      0.62383241      0.08053491     -1.09431978
+H      2.96950291     -0.03900117      0.95522321
+H      2.62300001      1.45557699     -1.75276096
+H      4.42033237      2.74215729     -0.55202991
+H      5.74061822     -0.05117845     -0.50551761
+H      6.55608846      1.59301645     -0.14031813 
+
+12
+-1269.1091821828966 9.588096 10.65049 -9.9733 -7.6695 -9.927 1.4892 0.0176 1.904 9.56064 -1.51526 4.3641584168 12.138167407 0.426718221
+C      0.99519772     -0.01929363     -0.06814210
+C      2.49190976      0.10274196      0.01407404
+O      3.26320699     -0.53019325     -1.02428799
+C      3.26799843      0.92193700     -0.95172825
+C      4.50103418      1.56674266     -0.58851586
+C      5.53478934      2.13543912     -0.30193151
+H      0.51437484      0.71984007      0.58928532
+H      0.67665408     -1.01997044      0.25762747
+H      0.64308972      0.13731393     -1.09634735
+H      2.93418414     -0.00921247      1.01216498
+H      2.70880462      1.40689665     -1.76116491
+H      6.45079619      2.62682840     -0.04466385 
+
+14
+-1378.8309826629088 8.749139 9.96202 -10.0053 -7.7699 -11.818 0.9418 0.0588 2.561 11.11991 -2.31925 9.1969219206 11.0958914966 0.23852448
+C      1.01639437     -0.07472938     -0.03178788
+C      2.51130333      0.09266365     -0.08135958
+O      3.17627236     -0.32914383     -1.29565791
+C      3.17155114      1.08294203     -0.95168859
+C      4.52645869      1.65998582     -0.63415264
+O      5.32574663      1.82028721     -1.80951984
+H      0.59340805      0.51179752      0.79730866
+H      0.75298945     -1.12951938      0.13217997
+H      0.55316720      0.25571799     -0.97072914
+H      3.05042496     -0.20373941      0.82879171
+H      2.54154102      1.69148674     -1.61343667
+H      5.03329716      1.01939062      0.11112463
+H      4.41576188      2.66750496     -0.20416149
+H      5.40022377      0.93819546     -2.21779123 
+
+12
+-1246.2414283640983 8.454221 9.2948 -9.9351 -7.7259 -11.184 0.624 -1.3799 -0.386 10.27946 0.9764 3.6389643028 12.8199788196 0.228185683
+C      0.97484444      0.07519035     -0.13374135
+C      2.45286621      0.22364649      0.10402239
+O      3.33381789     -0.68633352     -0.56486406
+C      3.36287786      0.70125519     -0.97334762
+C      4.59025816      1.45640301     -0.59152706
+O      4.98269087      2.45061485     -1.17477728
+H      0.44954352      0.99910739      0.14797551
+H      0.57290183     -0.74415679      0.47928262
+H      0.76698268     -0.14481845     -1.18861755
+H      2.75445531      0.43881292      1.13837890
+H      2.94214176      0.92483697     -1.95966993
+H      5.12904947      1.03015159      0.29434542 
+
+14
+-1379.4990772301223 8.695466 9.64993 -9.6786 -7.4596 -11.496 0.9776 -0.0637 2.673 10.96768 -2.43587 9.0181713044 10.5406945872 0.089794023
+C      0.98686431      0.04802286      0.09041050
+C      2.48975922     -0.06315672      0.00346242
+O      3.19671247      0.96997723      0.76741420
+C      4.15564970     -0.01074606      1.25385292
+C      3.24353402     -1.16370700      0.79090208
+O      3.78520177     -2.28031167      0.11568042
+H      0.51818095     -0.78633836     -0.45202606
+H      0.63791749      0.98751252     -0.36107701
+H      0.65498499      0.02188243      1.13798329
+H      2.82453371     -0.04495595     -1.05545391
+H      5.10873519      0.03070173      0.69040701
+H      4.35933873      0.10397874      2.32899299
+H      2.63238656     -1.57244323      1.60845255
+H      4.34757089     -1.94866654     -0.60862141 
+
+14
+-1381.9543712700067 8.745222 9.69393 -9.2208 -6.9829 -10.68 0.8549 -0.1926 2.947 10.41023 -2.92749 8.3011850636 10.2658300238 0.234631473
+C      0.91858819      0.00335156     -0.12857614
+C      2.41046328     -0.06091215      0.06848877
+O      2.76522749     -0.14868949      1.43065410
+C      3.29256063     -0.78483522     -0.93983656
+C      3.34864214      0.72770119     -0.81123893
+O      4.43138748      1.32271367     -0.11830698
+H      0.66424682      0.07618355     -1.19477643
+H      0.50036071      0.87444389      0.39589116
+H      0.44486892     -0.90360790      0.27512493
+H      3.58363583      0.38129443      1.52533794
+H      2.84739168     -1.21117855     -1.84051612
+H      4.13015513     -1.34374536     -0.51852931
+H      2.93107655      1.34564693     -1.61366639
+H      5.25364515      1.10232345     -0.59003003 
+
+12
+-1250.8414606809238 8.183667 8.97341 -9.8262 -7.6369 -10.704 0.7321 -1.1807 0.033 9.96323 0.70271 3.721129825 14.0261518234 0.160080241
+C      1.01896966      0.05827799      0.14338137
+C      2.50707172     -0.07667227     -0.10489966
+O      3.32060960      0.96366576      0.53810543
+C      4.12884865      0.00287791      1.27406307
+C      3.28478834     -1.13399653      0.69555627
+O      3.22756267     -2.33107123      0.82709450
+H      0.49088346     -0.79581326     -0.30337961
+H      0.64091050      0.98054053     -0.31808647
+H      0.79911827      0.08798501      1.21893885
+H      2.73009173     -0.13007061     -1.18735138
+H      5.18631788     -0.00240316      0.95824989
+H      4.06832752      0.13655986      2.36693775 
+
+12
+-1312.7245678958243 10.205982 9.82857 -8.1549 -6.1026 -8.282 0.7854 -0.8199 0.294 7.80395 0.21058 4.8904665882 4.8904665882 0.569571703
+C      1.03855164     -0.04317098     -0.09525954
+C      2.36434259      0.04621783      0.12925134
+O      3.14768143     -1.06392889      0.39937971
+C      4.51436068     -0.63655682      0.59181680
+C      4.48383583      0.84852752      0.41098640
+C      3.22135752      1.22523516      0.14209243
+H      0.52237872     -1.00038914     -0.07370528
+H      0.46985997      0.85970735     -0.30285173
+H      5.15509367     -1.15210621     -0.14672912
+H      4.84456425     -0.94575277      1.60035897
+H      5.36203156      1.48605875      0.49155424
+H      2.85792214      2.23384819     -0.04171422 
+
+16
+-1577.7451609496795 9.801216 10.73141 -9.7004 -7.4911 -11.322 0.9103 -0.0987 2.835 10.99277 -2.56791 9.0866487722 13.6752094504 0.211224129
+C      0.93416902     -0.01464249      0.07369761
+C      2.44814891      0.00270880      0.00512853
+O      2.77964267      0.03904343     -1.39375696
+C      3.21053701      1.08105252      0.84276379
+C      4.21645795     -0.00969404      1.30599445
+C      3.23298262     -1.09788258      0.79157181
+H      0.59310600     -0.04256334      1.11726250
+H      0.53905158     -0.89772131     -0.44930925
+H      0.52044852      0.88340014     -0.40778780
+H      3.74958160      0.05146160     -1.47469389
+H      2.59824066      1.46704238      1.67073100
+H      3.60083483      1.93281982      0.26778738
+H      5.16124085      0.01327417      0.74318291
+H      4.46300437     -0.03226694      2.37557539
+H      3.64042942     -1.91349175      0.17741454
+H      2.62911400     -1.53480041      1.60019800 
+
+14
+-1446.5705833532186 9.622572 10.13605 -9.0811 -6.801 -9.067 1.2984 0.0022 1.277 8.63805 -0.68055 6.0878613832 6.0878613832 0.302488274
+C      0.92169095      0.06531534     -0.16418995
+C      2.41480274     -0.02508384      0.14327250
+O      2.68640749     -1.22056711      0.91654343
+C      3.45530669     -0.88556089      2.08345008
+C      3.53920363      0.61166000      2.08602484
+C      2.95924113      1.09736932      0.98520913
+H      0.59033593     -0.84224970     -0.68662879
+H      0.71444246      0.93009997     -0.81159977
+H      0.34293926      0.16897533      0.76413573
+H      2.97155918     -0.09378545     -0.81577383
+H      4.45784515     -1.35585967      2.02590829
+H      2.95224202     -1.28994329      2.98155971
+H      4.02128212      1.18464687      2.87760489
+H      2.87821127      2.14605312      0.70073374 
+
+14
+-1393.6485370433286 8.605536 9.56201 -9.8102 -7.5425 -11.521 1.0232 0.0926 3.118 10.93088 -2.85355 9.2570303334 13.2267148926 0.144115809
+C      1.07302300      0.00912918      0.05350917
+C      2.58140459     -0.00557612      0.07908002
+O      3.08600903      1.06791020      0.86445292
+C      4.42008390      0.65720678      1.17657527
+C      4.29034702     -0.86631435      1.37127909
+O      3.06613311     -1.20692081      0.69609922
+H      0.70474927     -0.85102583     -0.51942527
+H      0.71581524      0.93022354     -0.42459324
+H      0.68475614     -0.04599243      1.07875544
+H      3.00874175      0.06576214     -0.94745756
+H      5.10389040      0.89632109      0.34035538
+H      4.74471084      1.19495793      2.07626703
+H      5.13850885     -1.41422171      0.92918426
+H      4.19045686     -1.14748961      2.43129828 
+
+12
+-1251.3303263158373 8.386171 8.96913 -8.0564 -5.9309 -9.094 1.0753 0.1763 1.007 8.77908 -0.54449 5.6839273938 14.3916625514 0.524265405
+C      0.90119849     -0.00192011      0.14452570
+C      2.32907015     -0.00676206     -0.33405626
+O      2.60287919     -1.15588617     -1.16917351
+C      3.48000642     -0.66348331     -2.13222229
+C      3.48953712      0.67372792     -2.11720315
+O      2.61938271      1.15685428     -1.14319868
+H      0.72246993      0.88502813      0.76584632
+H      0.71091511     -0.89734101      0.75000314
+H      0.21556284      0.01017548     -0.71221270
+H      3.05851445     -0.02138554      0.50658688
+H      3.96955993     -1.38433968     -2.77647589
+H      3.98956367      1.40183205     -2.74503956 
+
+14
+-1378.425573809724 8.620314 9.43687 -9.7861 -7.5272 -11.605 0.899 -0.1568 2.579 11.28399 -2.30988 8.9967589222 14.0939101724 0.109222218
+C      0.92299099     -0.01476389      0.11440282
+C      2.43296543      0.00398766     -0.03800549
+O      2.71273108      0.04196666     -1.43085871
+C      3.15698935      1.02619171      0.87807659
+O      3.54061699     -0.03203867      1.80145896
+C      3.17858509     -1.04825853      0.82451812
+H      0.64668781     -0.03979681      1.17683238
+H      0.50280673     -0.90020836     -0.38280454
+H      0.48516476      0.88245503     -0.34513757
+H      3.67995738      0.04516593     -1.54526574
+H      2.54919089      1.80449838      1.36602363
+H      4.03922787      1.48988725      0.39663381
+H      4.07024295     -1.46747960      0.32007436
+H      2.58793268     -1.86393676      1.27030138 
+
+16
+-1571.4859227233444 9.912351 11.17175 -9.2424 -7.0306 -10.922 0.953 -0.0001 2.982 10.59365 -2.68031 8.6764286926 11.1579092938 0.232796245
+C      3.09380483     -1.19531342     -0.45569321
+C      2.45241738      0.04212629      0.17975321
+C      3.37324006      1.24484187      0.19707263
+C      3.53379038      2.12662656     -1.04172278
+C      2.84068630      2.65036876      0.18942105
+O      3.38236420      3.68358851      0.98607264
+H      2.39827201     -2.04673113     -0.46642661
+H      3.99252959     -1.50474938      0.09918595
+H      3.39824653     -0.99298584     -1.49349810
+H      2.13626153     -0.18875418      1.21140699
+H      1.53259352      0.30441780     -0.37053597
+H      4.29378972      1.10668584      0.77627616
+H      2.93130293      1.90173466     -1.92479166
+H      4.53080038      2.51252135     -1.26405381
+H      1.75657756      2.77385109      0.14165929
+H      4.34913307      3.57374122      1.01123423 
+
+16
+-1571.1159804847202 9.754383 10.93565 -9.305 -7.1381 -11.33 0.9562 0.0336 2.989 10.71056 -2.72289 9.2388911816 10.2977068244 0.117385037
+C      2.15314427     -0.51339274     -1.38768826
+C      2.47100621      0.10771579     -0.02552249
+C      3.28517429      1.38146292     -0.14460238
+C      2.58919354      2.67650180     -0.62130017
+C      3.14234821      3.28879788      0.67659418
+O      3.58523721      1.98618637      1.15649585
+H      1.56858422     -1.43635447     -1.27272241
+H      3.07244404     -0.76740972     -1.93698930
+H      1.56717829      0.17328572     -2.01750813
+H      3.03890297     -0.60462530      0.59529233
+H      1.54255530      0.33566377      0.52357808
+H      4.22747563      1.17941959     -0.69187438
+H      1.49373962      2.59399784     -0.64133911
+H      2.94265899      3.11218081     -1.56368811
+H      3.99527205      3.97459884      0.53082994
+H      2.41716515      3.75131089      1.36432437 
+
+14
+-1425.2100310490457 9.710517 10.39683 -9.4177 -7.2422 -9.46 1.3245 -0.0413 1.363 8.94692 -0.80202 6.6396858734 6.6396858734 0.445155103
+C      1.10822285      0.05973716      0.94675389
+C      1.85793232      0.40814311     -0.10415023
+C      3.04494455      1.31026341     -0.03343334
+C      2.89280958      2.76891618     -0.54946217
+C      3.42934746      3.16172960      0.83705641
+O      3.36545690      1.78288901      1.30843157
+H      0.25320034     -0.60759846      0.83691185
+H      1.34704123      0.43313583      1.94374581
+H      1.62986159      0.02421002     -1.10520178
+H      3.92385725      0.80205811     -0.47917466
+H      1.84864211      3.05595013     -0.72284104
+H      3.50746075      3.04592253     -1.41419227
+H      4.46735725      3.53628756      0.84083790
+H      2.79742581      3.82749581      1.44483806 
+
+12
+-1265.9179178171867 9.349092 10.22306 -9.732 -7.5136 -9.87 1.6012 -0.0673 2.236 9.47196 -1.79652 4.3777472824 10.5543826416 0.605289324
+C      0.98999071     -0.10973107      0.16395708
+C      2.19658506     -0.01961579      0.06367901
+C      3.63591808      0.11674685     -0.05910154
+C      4.35336909      1.15506862      0.84515210
+C      5.23620689     -0.02805612      1.27407188
+O      4.39386059     -0.98037355      0.55544640
+H     -0.07350261     -0.20084533      0.25103731
+H      3.90747588      0.21388260     -1.12684676
+H      3.70773431      1.54525534      1.63956319
+H      4.84492267      1.98144642      0.31931226
+H      6.26031036     -0.01308198      0.86428422
+H      5.27383897     -0.25509600      2.34997485 
+
+16
+-1572.4215780953502 9.73502 10.88027 -9.775 -7.675 -11.835 0.9022 -0.0211 2.668 10.89626 -2.3582 9.1724098884 10.9093049652 0.212556614
+C      2.70059569     -1.51085965     -0.83135356
+C      1.98618582     -0.23177836     -0.38135338
+C      2.92757807      0.87956421      0.05059499
+C      3.74822317      0.64050979      1.29815684
+C      3.40175683      1.84693007     -0.95911933
+O      2.35409950      2.21360224     -0.03931895
+H      1.97461344     -2.25800882     -1.18106209
+H      3.27557435     -1.96947813     -0.01403206
+H      3.39700367     -1.30828957     -1.65898055
+H      1.30535252     -0.45784685      0.45714166
+H      1.35827834      0.15856388     -1.19672882
+H      4.34991515      1.52611724      1.53880918
+H      4.42568196     -0.21665432      1.17175343
+H      3.08917497      0.42808590      2.15372953
+H      3.08678407      1.73592521     -2.00364496
+H      4.35697244      2.36324715     -0.80855193 
+
+16
+-1567.9622096363164 9.69896 10.80253 -9.4721 -7.1793 -11.445 0.928 -0.0057 2.86 10.83008 -2.5838 9.2904693576 10.5416492794 0.132928991
+C      2.33906634     -0.52618234     -1.47677474
+C      2.46827157      0.01703586     -0.05156173
+C      3.23282480      1.33285418      0.01670759
+C      2.53240321      2.60847356     -0.50662275
+O      2.73042807      3.29782387      0.76205127
+C      3.26604291      2.08402321      1.36535741
+H      1.77311708     -1.46806772     -1.49800801
+H      3.32821151     -0.71942413     -1.91940353
+H      1.81701068      0.18854903     -2.13138419
+H      2.97685993     -0.72783898      0.58448642
+H      1.46529503      0.16270114      0.38654145
+H      4.23859088      1.20965478     -0.41440093
+H      1.45786675      2.47812077     -0.73344056
+H      3.01776070      3.14329889     -1.33875838
+H      4.25582012      2.25700752      1.81799637
+H      2.58079040      1.67501037      2.13051429 
+
+14
+-1423.2543067420836 9.863291 10.54832 -9.5849 -7.3289 -9.608 1.4329 -0.2098 1.123 9.08729 -0.56245 6.5800982018 6.5800982018 0.48064908
+C      0.99359704     -0.29882672     -0.29626573
+C      1.62123421      0.56312599      0.51340132
+C      2.72556918      1.47472017      0.10189242
+C      2.62546490      2.97335514      0.49186700
+O      3.95078094      2.96224494      1.09243118
+C      4.00990766      1.51339345      0.97187767
+H      0.19023443     -0.94158595      0.06588283
+H      1.26547025     -0.38996305     -1.35095684
+H      1.31978885      0.62372510      1.56687663
+H      2.95853380      1.34479672     -0.96476332
+H      1.84103590      3.18939204      1.23934744
+H      2.55338217      3.69480689     -0.33677157
+H      4.94123118      1.17663269      0.49088620
+H      3.90041948      1.01781260      1.95326477 
+
+12
+-1266.4012688114624 9.290982 10.14759 -9.8083 -7.5345 -9.909 0.9941 -0.0152 2.114 9.5171 -1.72867 4.3523177538 10.5827258412 0.47949454
+C      0.88395043     -0.02339325      0.03295258
+C      2.09823920     -0.00638385      0.01164843
+C      3.54448622      0.01221405      0.01227965
+C      4.28595981      1.02742566      0.92655644
+O      5.15645807     -0.01637738      1.44158192
+C      4.31191056     -1.04406690      0.85577642
+H     -0.18670027     -0.03762153      0.04613707
+H      3.92997519      0.05228021     -1.01728290
+H      3.64165173      1.45249627      1.71448962
+H      4.84998350      1.82628625      0.42296217
+H      4.89528851     -1.79246488      0.29947723
+H      3.67899706     -1.53772465      1.61233137 
+
+16
+-1573.7126238921155 9.923323 11.3897 -9.7554 -7.6679 -11.768 0.9789 0.1074 2.792 10.90925 -2.54627 9.199699207 10.8362896098 0.317335798
+C      3.13242350     -1.25175579     -0.33534163
+C      2.44006283     -0.01589146      0.24761881
+C      3.39850372      1.12593044      0.47986254
+O      3.83070613      1.86253508     -0.69240567
+C      3.02809529      2.54135102      0.30350510
+C      3.69077657      3.66099098      1.06057371
+H      2.41617748     -2.06928448     -0.49700005
+H      3.91835664     -1.62357007      0.33947110
+H      3.60189861     -1.01358352     -1.30020252
+H      1.96189440     -0.26851641      1.21001350
+H      1.64056629      0.32586612     -0.42869503
+H      4.22024704      0.91315897      1.18021367
+H      2.00162041      2.74229856     -0.03453486
+H      4.70173852      3.37288285      1.37851399
+H      3.10156569      3.92368112      1.95221506
+H      3.76994688      4.56017659      0.43224228 
+
+16
+-1575.1620840125374 9.863885 10.98548 -9.6526 -7.4311 -11.002 0.9168 -0.0569 2.902 10.67769 -2.5555 8.6730190776 12.2905338024 0.129305288
+C      3.06758889     -1.21524440     -0.46778364
+C      2.36731337      0.01193393      0.12094647
+C      3.26828879      1.23004219      0.21618337
+O      4.41914597      1.05442834      1.03336210
+C      3.51495495      2.07893723     -0.99563701
+C      2.67519240      2.61828594      0.15449815
+H      2.39436580     -2.08386703     -0.48727447
+H      3.95413513     -1.47991171      0.12473410
+H      3.40158538     -1.02125713     -1.49789122
+H      1.98326033     -0.22225010      1.13075764
+H      1.48511855      0.27464618     -0.48528935
+H      4.11212668      1.01074300      1.95751772
+H      3.01333484      1.80960302     -1.92604149
+H      4.51887729      2.48766436     -1.10785101
+H      3.13829462      3.38050973      0.78166872
+H      1.59810700      2.72031645      0.01209992 
+
+16
+-1568.788136494902 9.847107 11.20026 -9.9522 -7.766 -11.925 0.9506 0.0299 2.814 11.04837 -2.54101 9.2379984824 11.2209437762 0.334562471
+C      1.20242797     -0.27300418     -0.37521370
+C      2.71434574     -0.24234943     -0.14516312
+C      3.20730026      1.10366808      0.40185606
+C      4.69541946      1.11780503      0.65031998
+C      5.65441116      1.62263463     -0.34769184
+O      5.32689262      2.40664820      0.81653419
+H      0.87687047     -1.24665249     -0.76816958
+H      0.89385640      0.49883832     -1.09672768
+H      0.65343403     -0.08949489      0.56097284
+H      3.23848127     -0.46407347     -1.09014399
+H      2.99602033     -1.04627134      0.55638130
+H      2.68650563      1.33126316      1.34832069
+H      2.95676785      1.91756926     -0.29848893
+H      5.06357008      0.35970908      1.35601677
+H      5.27420939      2.01869975     -1.29669226
+H      6.67672734      1.22976030     -0.37331074 
+
+14
+-1423.288286210433 9.76247 10.65489 -9.7916 -7.5377 -9.792 1.5627 -0.0925 1.101 9.26578 -0.55166 6.6866145744 6.6866145744 0.450480884
+C      1.64837945      0.08049268     -1.42565817
+C      2.36875935     -0.15239685     -0.32303864
+C      3.09466080      0.89815459      0.46972136
+C      4.58331435      0.62101839      0.56259583
+C      5.55010184      1.24194756     -0.35527431
+O      5.41778384      1.70966706      1.00503870
+H      1.14103604     -0.72645150     -1.95609374
+H      1.53553055      1.08947426     -1.83076244
+H      2.45118135     -1.18071210      0.04834243
+H      2.69205384      0.92944880      1.49800980
+H      2.93949581      1.89506177      0.02974846
+H      4.85480978     -0.34897945      1.00114639
+H      5.18485896      1.93348438     -1.12255773
+H      6.49254404      0.73307041     -0.58296792 
+
+12
+-1267.124438699768 9.263074 10.33186 -10.1634 -7.8277 -10.117 1.018 0.0874 2.048 9.7229 -1.66885 4.3786771774 10.474027315 0.44093772
+C      0.89361114     -0.11404949     -0.08237992
+C      2.10450092     -0.05849303     -0.02345488
+C      3.55711139      0.04863414      0.04556064
+C      4.02518193      1.49585179      0.09802357
+C      4.31258412      2.16510917      1.37413316
+O      5.38344717      1.69917681      0.52139528
+H     -0.17396696     -0.17661825     -0.13674442
+H      4.00706784     -0.44035283     -0.83486605
+H      3.93979963     -0.48245813      0.93205475
+H      3.71520392      2.11426352     -0.75301785
+H      4.18632407      1.60792254      2.30867528
+H      4.21891484      3.25299375      1.44925043 
+
+14
+-1427.778475338152 10.280822 11.12834 -9.2505 -7.0798 -9.263 1.439 -0.0945 1.07 8.7827 -0.46661 6.2265893186 6.2265893186 0.474115297
+C      0.71023466      0.17547308      0.06222231
+C      2.12800258      0.21116829      0.53816619
+C      3.20177286      0.41687253     -0.24027743
+C      4.58530885      0.42764795      0.26641603
+C      5.73551814      0.07884527     -0.59479463
+O      5.47269753      1.45190513     -0.27156340
+H      0.24185739     -0.79779753      0.28077470
+H      0.64030228      0.35480119     -1.01942580
+H      0.10174368      0.93582614      0.57767642
+H      2.28669505      0.05218954      1.61186664
+H      3.07975142      0.59435934     -1.31487935
+H      4.70081129      0.26988154      1.34620073
+H      5.55358376     -0.20072903     -1.63891249
+H      6.63400050     -0.35106342     -0.13795993 
+
+14
+-1426.8533148012148 9.766481 10.52568 -9.3737 -7.1507 -9.24 1.3106 -0.0822 1.242 8.66265 -0.6299 6.3255053494 6.3255053494 0.416019997
+C      0.85662413     -0.09445141     -0.56509874
+C      2.28029733      0.03633222     -0.09385206
+C      3.02434611     -0.99464758      0.33156226
+C      2.83032180      1.42403735     -0.13862505
+C      3.07809819      2.21047980      1.09221127
+O      4.16705216      1.64810369      0.33825352
+H      0.75432303      0.23744461     -1.61106878
+H      0.17855155      0.53487750      0.03385090
+H      0.51021638     -1.13352060     -0.50009227
+H      2.61623772     -2.00561899      0.37043346
+H      4.05754578     -0.84225438      0.64523169
+H      2.58008862      1.99568154     -1.04413883
+H      2.88917301      1.73270552      2.05960462
+H      3.00480420      3.30335073      1.06425801 
+
+16
+-1569.7233393019906 9.80028 10.99378 -9.9256 -7.7642 -11.905 0.9369 0.0352 2.739 11.02448 -2.43666 9.228649938 11.3386684832 0.196131546
+C      1.08264197      0.14453259      0.03708011
+C      2.59422803     -0.09384245     -0.07892983
+C      2.95017447     -0.89867960     -1.33543716
+C      3.33219464      1.22869566     -0.06993032
+C      3.85890776      1.83331295      1.16453097
+O      4.74606674      1.19346721      0.22437582
+H      0.82787909      0.68576232      0.95999471
+H      0.53689243     -0.80985187      0.04080374
+H      0.71012949      0.73542118     -0.81488702
+H      2.93603813     -0.65917046      0.80592078
+H      2.62106453     -0.37234409     -2.24576357
+H      2.45983462     -1.88295869     -1.32311267
+H      4.03537988     -1.05582147     -1.40619561
+H      3.07557428      1.90953809     -0.89569142
+H      3.72823653      1.30196133      2.11444907
+H      3.96582742      2.92089731      1.24014241 
+
+12
+-1271.6021986100495 9.820599 11.17549 -9.5578 -7.2709 -9.38 0.8356 -0.0312 2.069 8.98764 -1.61027 4.139644568 10.216880351 0.447180921
+C      0.95686342      0.00384053      0.01329392
+C      2.40929173     -0.04475407      0.01096991
+C      3.62542209     -0.07599120     -0.00358781
+C      5.06149491     -0.11825107      0.02240289
+C      5.84954162     -0.67625611     -1.10159074
+O      5.78415713      0.74233789     -0.90405441
+H      0.59705499      0.96187584     -0.39036476
+H      0.55916139     -0.10054764      1.03362885
+H      0.52889731     -0.80240125     -0.60052864
+H      5.51515938     -0.15762282      1.01972107
+H      5.31293337     -1.05294217     -1.97803392
+H      6.81942266     -1.13925792     -0.88866637 
+
+18
+-1718.7323067372306 10.604314 12.08703 -10.1635 -7.8018 -12.091 0.9534 -0.0336 2.918 11.58391 -2.69822 9.9200206712 11.6601021882 0.15349937
+C      0.95083620     -0.07086828      0.00658008
+C      2.48010592     -0.03525491      0.01186435
+C      3.05085991      1.38629760      0.00151353
+C      4.58200095      1.42984860      0.01189669
+C      5.13573530      2.85279807      0.02358589
+O      6.56713629      2.90997855     -0.02123566
+H      0.57189857     -1.10294461      0.01394292
+H      0.54407163      0.42744933     -0.88686017
+H      0.53765625      0.44259170      0.88850716
+H      2.86622541     -0.58631498     -0.86291442
+H      2.85905047     -0.57043017      0.89981337
+H      2.66002934      1.93941072      0.87475022
+H      2.67554135      1.92081074     -0.88971735
+H      4.98402214      0.90166665     -0.86876189
+H      4.95624149      0.88935902      0.90125852
+H      4.74783141      3.40172972      0.90395332
+H      4.79879422      3.39779716     -0.87205386
+H      6.90419316      2.45865510      0.77256730 
+
+12
+-1309.078259170397 11.81866 10.78878 -9.3988 -7.4547 -9.306 -0.8245 -2.4505 -1.325 8.78458 1.90073 3.3645956834 4.4884543818 0.9794161
+C      1.43701618     -0.53888377     -0.21492730
+C      2.73991273     -0.25875676     -0.00989704
+C      3.28856788      1.07498764     -0.09217935
+C      4.59259679      1.39324644      0.10672317
+C      5.05592554      2.77579379      0.00032139
+O      6.21575503      3.13695242      0.16485831
+H      1.05455273     -1.55712688     -0.14587474
+H      0.72011761      0.24856932     -0.45837070
+H      3.43600191     -1.06810179      0.23238759
+H      2.58788989      1.88421915     -0.33502046
+H      5.34084765      0.63396670      0.35137424
+H      4.25255607      3.51743374     -0.25191512 
+
+12
+-1302.1786024011558 10.342768 10.12252 -9.3492 -7.2843 -9.233 -0.4991 -2.2191 -0.922 9.71758 1.61891 3.408065175 5.5556390796 0.538432314
+C      3.10507505     -1.05804313     -0.12432826
+C      2.51619879      0.15093097     -0.07076612
+C      3.16801372      1.46296077     -0.02988619
+C      2.45550750      2.61159080     -0.08547834
+C      4.65808877      1.56835267      0.10317975
+O      5.28118120      2.61687921      0.05236207
+H      2.49690584     -1.96208816     -0.15852087
+H      4.18578339     -1.20046711     -0.14433841
+H      1.42139443      0.18796551     -0.06791848
+H      1.36759943      2.60299727     -0.16635641
+H      2.96912574      3.57297901     -0.05108694
+H      5.19935614      0.60749218      0.27308821 
+
+10
+-1146.1639988222555 11.058026 10.79539 -9.7122 -7.7294 -9.483 -0.9001 -2.6316 -1.166 9.63933 1.80653 3.218428588 5.9337963796 0.370446563
+C      0.94368349     -0.02672156      0.00000000
+C      2.29110525      0.03553070      0.00000000
+C      3.01580945      1.24803550      0.00000000
+C      3.65266260      2.29423286      0.00000000
+C      4.43337142      3.49785750      0.00000000
+O      3.95907715      4.62901457      0.00000000
+H      0.43211892     -0.98892697      0.00000000
+H      0.33469004      0.87758714      0.00000000
+H      2.87860510     -0.88793967      0.00000000
+H      5.53700657      3.33088994      0.00000000 
+
+14
+-1443.4236024129038 10.081398 10.84048 -9.6084 -7.3643 -9.705 1.1946 -0.8697 -0.079 10.09205 0.71577 3.6680514184 6.6694673106 0.458509245
+C      1.44723388     -0.67621345      0.41268427
+C      2.38308627     -0.12037384     -0.36515879
+C      3.11924745      1.15030211     -0.05604053
+C      4.63265991      0.93628723      0.04060305
+C      5.43694890      2.18377434      0.30488558
+O      4.97740179      3.30477479      0.42172294
+H      0.94620732     -1.60346505      0.13132847
+H      1.14632803     -0.21601370      1.35760873
+H      2.65210901     -0.61647982     -1.30600122
+H      2.74803247      1.58804267      0.88274896
+H      2.92487922      1.89917194     -0.84245697
+H      5.04055905      0.48485678     -0.88374692
+H      4.88723655      0.21027164      0.83474253
+H      6.54193015      2.00843436      0.39155991 
+
+16
+-1578.4047841275947 10.5991 11.43547 -9.47 -7.2327 -9.156 1.208 -0.0341 1.284 8.64518 -0.67686 6.2745966978 6.2745966978 0.404644275
+C      0.64709625      0.27561086      0.03157717
+C      2.10620976      0.00581624      0.23945680
+C      3.10534516      0.82956359     -0.11483627
+C      4.56405192      0.57220013      0.12869922
+C      5.11821437      1.48378974      1.23583115
+O      4.49442702      1.24832942      2.49795521
+H      0.19431384     -0.48399521     -0.62583746
+H      0.47818187      1.26339334     -0.41958078
+H      0.09342167      0.23215332      0.98304066
+H      2.36370612     -0.95590663      0.70119274
+H      2.85294344      1.79192523     -0.58046062
+H      5.14362915      0.75707930     -0.79215375
+H      4.72357839     -0.47810342      0.41938304
+H      5.00909649      2.54397406      0.93259893
+H      6.19031196      1.28852802      1.38558579
+H      3.53237258      1.22509200      2.33076816 
+
+16
+-1578.9201769139581 10.621687 11.36865 -9.1921 -7.0003 -8.969 0.901 -0.1044 1.292 8.41776 -0.63937 6.0992680952 6.0992680952 0.389768385
+C      0.88528963     -0.16880794      0.17357157
+C      2.37174923      0.01729108      0.17395355
+C      3.06915828      1.15667216     -0.00643138
+C      2.47329484      2.51418485     -0.26648061
+C      4.57799849      1.11457143      0.04080090
+O      5.18966791      1.48306208     -1.21155267
+H      0.57952988     -0.88141920     -0.60958025
+H      0.33449139      0.76621385      0.01239957
+H      0.54695098     -0.59768954      1.13060862
+H      2.95350841     -0.89510456      0.35618902
+H      1.39237839      2.48338286     -0.44853218
+H      2.95916729      2.98123019     -1.13637273
+H      2.65472975      3.18413460      0.59092084
+H      4.91800358      0.11440990      0.36562535
+H      4.96379315      1.85246290      0.76334292
+H      4.85138880      0.85953534     -1.87976252 
+
+14
+-1453.489897538058 10.436793 10.74568 -9.3693 -7.3472 -9.679 0.1823 -1.5401 -0.718 9.51968 1.33211 3.460201288 5.0194740212 0.476637778
+C      0.93599448     -0.16600027     -0.08116681
+C      2.40849025      0.06228078     -0.11681867
+C      3.08189746      1.23097407      0.00684298
+C      2.49221086      2.59439978      0.21454169
+C      4.55463377      1.14542880     -0.07358766
+O      5.31375998      2.10246046      0.00822344
+H      0.67712704     -0.87335483      0.72379384
+H      0.59873249     -0.63803490     -1.01850019
+H      0.35764882      0.75318966      0.06943056
+H      3.02136401     -0.83657201     -0.26360425
+H      1.39674478      2.58835653      0.20388800
+H      2.85287620      3.28377038     -0.56249586
+H      2.83355429      3.01339606      1.17287959
+H      4.95143558      0.10659549     -0.22251665 
+
+16
+-1578.9269276561922 10.591676 11.47351 -9.4243 -7.2176 -9.331 1.0982 -0.1342 1.23 8.81069 -0.62082 6.3598122756 6.3598122756 0.390354942
+C      0.81653091      0.07266731      0.09841914
+C      2.30733063      0.01287882      0.23325657
+C      3.15131003      0.98392883     -0.14514946
+C      4.65497134      0.95724658     -0.05619464
+C      5.25791054     -0.29626110      0.57113499
+O      5.22084710      1.20942928     -1.36651344
+H      0.44136207     -0.75268002     -0.52799034
+H      0.48655659      1.02080758     -0.34796301
+H      0.32681443     -0.03500011      1.07954859
+H      2.71152715     -0.89965550      0.68539617
+H      2.74657715      1.89805617     -0.59638822
+H      4.98070726      1.83374577      0.53163511
+H      4.96913014     -1.20100750      0.01463380
+H      4.93608403     -0.41525701      1.61593833
+H      6.35263591     -0.21931791      0.55210777
+H      4.82185472      0.55626880     -1.97068136 
+
+14
+-1455.58656892629 10.378924 10.8953 -9.1437 -7.2183 -10.07 0.1299 -1.5742 -0.62 9.22197 1.21519 3.4618007074 5.3930438392 0.510389181
+C      0.82778710      0.09371496      0.15919613
+C      2.31072084      0.01463290      0.00907986
+C      3.12166472      1.06808997     -0.20533494
+C      4.59334539      1.00697980     -0.35496411
+C      5.29979398     -0.33655463     -0.27091026
+O      5.22956502      2.04365074     -0.54631622
+H      0.32515292     -0.52306634     -0.60306788
+H      0.46115919      1.12466507      0.07181656
+H      0.51252730     -0.30900937      1.13520204
+H      2.74954508     -0.98660662      0.08327200
+H      2.70923151      2.07911707     -0.28305945
+H      4.93043837     -1.02605566     -1.04408806
+H      5.12662348     -0.81183889      0.70578294
+H      6.37408511     -0.17669901     -0.41049861 
+
+14
+-1445.9081246734156 10.309047 11.02847 -9.3655 -7.1668 -9.525 0.7969 -1.1044 -0.167 9.03039 0.79446 3.6574382168 5.6522861666 0.247054111
+C      0.79228716      0.11183155      0.07572555
+C      2.28115333      0.00593508      0.18865931
+C      3.15268901      0.93607544     -0.22864492
+C      4.64880141      0.84339981     -0.08852407
+C      5.13344274      1.79961696      0.99030239
+O      5.88002970      2.74094132      0.80403264
+H      0.38182937     -0.70711204     -0.53659298
+H      0.48713900      1.06561623     -0.37610412
+H      0.31356171      0.03105502      1.06471033
+H      2.67263776     -0.91591773      0.63706882
+H      2.77149371      1.86034060     -0.67814419
+H      5.16681872      1.09071185     -1.02663264
+H      4.93164384     -0.17689919      0.22229570
+H      4.71972254      1.58314509      2.00990819 
+
+16
+-1578.2614233127767 10.349614 11.00071 -9.5484 -7.3304 -9.263 1.1037 -0.2185 1.27 8.64838 -0.65216 6.3365153062 6.3365153062 0.393843788
+C      0.64514668     -0.09922258     -0.00966324
+C      2.09560024     -0.49205636     -0.10724664
+C      2.48982231     -1.77793445     -0.11775306
+C      3.10134300      0.63559319     -0.13240668
+C      3.38782445      1.17063974      1.28315850
+O      3.97764437      0.18698952      2.12977357
+H      0.46239271      0.55482982      0.85833483
+H     -0.01052675     -0.97535739      0.07683141
+H      0.34202384      0.47415940     -0.90081628
+H      1.76911260     -2.59614024     -0.05705398
+H      3.54364336     -2.04763168     -0.21446256
+H      2.72705863      1.46881322     -0.75138916
+H      4.05051467      0.28993145     -0.56884844
+H      2.45791345      1.57194910      1.73181158
+H      4.11110309      1.99714819      1.22618181
+H      3.44629336     -0.62670095      2.02436833 
+
+14
+-1454.5145752084238 9.972583 10.49769 -9.312 -7.3472 -10.084 0.0207 -1.704 -0.67 9.47253 1.23422 3.4404627168 5.3819594908 0.394878328
+C      0.94638250     -0.08039812      0.07160193
+C      2.44706128     -0.08679088     -0.00168639
+C      3.18694227     -1.18836503      0.22825101
+C      3.08973955      1.22507554     -0.35217604
+C      4.60281205      1.32108747     -0.45050493
+O      2.38530005      2.21149689     -0.55587536
+H      0.59824076      0.64961404      0.81634298
+H      0.55904267     -1.07312760      0.33145746
+H      0.51326466      0.23663610     -0.88791601
+H      2.71711718     -2.14066033      0.48246330
+H      4.27541681     -1.17996885      0.17186065
+H      4.99414833      0.63755500     -1.21763795
+H      5.07961276      1.05408474      0.50357005
+H      4.86840914      2.35040104     -0.71275069 
+
+14
+-1445.8728030651273 10.02002 10.52932 -9.4508 -7.2685 -9.616 0.7358 -1.1665 -0.231 9.0246 0.82598 3.6669851388 6.5207213064 0.221168433
+C      0.89774525      0.00885439     -0.04942341
+C      2.37655426     -0.25486935      0.03635298
+C      2.88910917     -1.48402543      0.20440901
+C      3.26707948      0.97166750     -0.02922496
+C      3.24387986      1.69176203      1.30965325
+O      2.77237228      2.79598183      1.50015356
+H      0.57629843      0.73333766      0.71521979
+H      0.31616181     -0.91269402      0.07726177
+H      0.63890250      0.45292398     -1.02399750
+H      2.24190073     -2.35968811      0.28205197
+H      3.96591569     -1.65544576      0.25576046
+H      2.93613557      1.67349048     -0.80841913
+H      4.30738027      0.66725589     -0.22606961
+H      3.68530469      1.09946892      2.15303183 
+
+14
+-1443.2544799862103 10.035165 10.61239 -9.5032 -7.3494 -9.962 0.6578 -1.2092 -0.25 9.4624 0.84374 3.6611082024 5.9830932132 0.280604499
+C      0.86208897      0.17703391     -0.03954852
+C      2.38720892      0.09634440     -0.11392487
+C      2.89277377     -0.45908065     -1.42387494
+C      3.82759699     -1.40829750     -1.55051338
+C      3.05495726      1.45610011      0.10096117
+O      2.46601983      2.51265595      0.21783562
+H      0.54156008      0.62290700      0.91112021
+H      0.42101865     -0.82413154     -0.13016369
+H      0.46474325      0.80750390     -0.84688727
+H      2.78429277     -0.54508701      0.69640406
+H      2.45864505     -0.00491270     -2.32213114
+H      4.28106405     -1.88526802     -0.67791331
+H      4.16273137     -1.74833469     -2.53126602
+H      4.17426905      1.40835683      0.13226210 
+
+18
+-1718.5199541164454 10.503896 11.70922 -10.159 -7.8065 -12.091 0.9038 -0.0642 2.86 11.57802 -2.59726 9.8975296108 10.4464156328 0.118659273
+C      0.90000097     -0.25796052      0.40111446
+C      2.35045377     -0.21318501     -0.09910012
+C      2.63470765     -1.39638674     -1.03250050
+C      2.68935953      1.11630217     -0.79858924
+C      2.60640444      2.35032955      0.09821456
+O      2.96328118      3.56169457     -0.58001607
+H      0.68986166      0.52261927      1.14571972
+H      0.67900690     -1.22814760      0.87029668
+H      0.19514975     -0.12389321     -0.43557096
+H      3.01636718     -0.30867215      0.77936317
+H      1.99267908     -1.35172307     -1.92692161
+H      2.43938066     -2.35520410     -0.52967271
+H      3.68137237     -1.39958780     -1.37159759
+H      2.02390603      1.26099884     -1.66766301
+H      3.71768782      1.04810598     -1.19953281
+H      3.23578283      2.20379872      0.99821511
+H      1.57595436      2.51616501      0.44401123
+H      3.87128385      3.45510608     -0.91413031 
+
+16
+-1578.6429998744193 10.709979 11.41055 -9.1962 -7.0171 -9. 0.979 -0.1981 1.265 8.43028 -0.61374 6.0971603332 6.0971603332 0.377281367
+C      1.00042198      0.01100544      0.06616133
+C      2.50214724     -0.10940822      0.04152144
+C      3.01795459     -1.51830347      0.17660531
+C      3.27714886      0.98849943     -0.07922815
+C      4.77145520      1.05697728     -0.14195155
+O      5.23328602      1.63255071     -1.38284003
+H      0.67148238      1.05313361     -0.03784789
+H      0.58936722     -0.38846928      1.00830718
+H      0.54529483     -0.58056115     -0.74561554
+H      2.55650053     -2.16946253     -0.58374157
+H      2.73473223     -1.93950080      1.15547963
+H      4.10698910     -1.59663675      0.08038753
+H      2.77879426      1.96034571     -0.17415671
+H      5.23762209      0.07049276      0.02590318
+H      5.15569327      1.73490549      0.63692599
+H      4.77159019      1.15897176     -2.09790015 
+
+14
+-1452.0353919488698 10.607665 10.8106 -9.2265 -7.2307 -9.783 -0.0156 -1.6931 -0.719 9.28835 1.36304 3.4176988872 5.0584676182 0.565858306
+C      1.02770980      0.00676553     -0.12619511
+C      2.52577809     -0.02242219     -0.02364453
+C      3.13074364     -1.39839720     -0.05018009
+C      3.22820717      1.13488085      0.08107826
+C      4.68024799      1.25977425      0.18556691
+O      5.26159891      2.33795045      0.27848013
+H      0.63120183      1.02919144     -0.10927242
+H      0.57301098     -0.56058571      0.70225836
+H      0.69458105     -0.48434664     -1.05508044
+H      2.70515296     -2.01056099      0.76088776
+H      4.22051720     -1.40813884      0.04808228
+H      2.86451696     -1.90614499     -0.99121346
+H      2.69193928      2.08847257      0.09089213
+H      5.27081414      0.31077146      0.17786022 
+
+18
+-1720.0613181275808 10.410934 11.37854 -9.9923 -7.7566 -11.904 0.8662 -0.1421 2.714 11.47561 -2.40177 9.6981601228 10.8979478476 0.122615969
+C      0.99669199      0.01105066     -0.01031017
+C      2.53290287     -0.04433732      0.01108856
+C      3.00406621     -0.76995306      1.28323215
+C      3.05139062     -0.78042823     -1.23464730
+C      3.05237997      1.41146302      0.01235818
+O      4.47826288      1.54301753      0.00949437
+H      0.62945015      0.53512796     -0.90645307
+H      0.59979002      0.53306225      0.87459149
+H      0.57100014     -1.00373965     -0.01945981
+H      2.65693750     -0.25267020      2.19211104
+H      4.10213430     -0.84569377      1.32295685
+H      2.61113246     -1.79735842      1.31356577
+H      2.67848316     -0.30613418     -2.15558880
+H      2.71928509     -1.82963392     -1.23651781
+H      4.14972773     -0.76336691     -1.26907774
+H      2.61227282      1.95263184      0.87296609
+H      2.71393247      1.91891016     -0.90521217
+H      4.80287960      1.26231225      0.88234238 
+
+16
+-1589.5919384343167 9.928169 10.77446 -9.4742 -7.3277 -10.806 1.1241 -0.7869 0.1 9.92647 0.54901 3.7293996912 8.304024343 0.163941978
+C      0.98952962     -0.00398607     -0.03613134
+C      2.53060743     -0.03600671      0.04434920
+C      3.00533709     -0.72762846      1.32416044
+C      3.09673876     -0.73209252     -1.21153938
+C      3.00419732      1.41306461     -0.00394642
+O      3.66938674      1.97846554      0.84205640
+H      0.64278328      0.54228371     -0.92675601
+H      0.55391039      0.47525922      0.85257928
+H      0.59793131     -1.03011002     -0.09845618
+H      2.62137450     -0.21377512      2.21600693
+H      4.10193676     -0.72579524      1.39014460
+H      2.65656022     -1.77041487      1.34535626
+H      2.80412743     -0.20448725     -2.13233461
+H      2.70840119     -1.75934195     -1.27569904
+H      4.19474124     -0.78274455     -1.17830317
+H      2.67707673      1.95906968     -0.93139694 
+
+18
+-1721.2476288604255 10.437038 11.52192 -9.9621 -7.7508 -11.864 0.9227 -0.0332 2.81 11.39105 -2.51724 9.6250827744 10.271310205 0.090261542
+C      0.95843709     -0.08510062      0.00040044
+C      2.49196747     -0.01798701     -0.01331925
+C      3.05081784     -0.78486683     -1.21782243
+C      3.01311194      1.43603267      0.00462223
+C      2.49688871      2.26753698      1.17775830
+O      4.45374607      1.47610441     -0.03858203
+H      0.52527308      0.33850174      0.91644225
+H      0.61923221     -1.12844019     -0.07448612
+H      0.53676497      0.45977892     -0.85993634
+H      2.86487385     -0.50154287      0.91181635
+H      2.65646097     -0.36627182     -2.15820017
+H      2.75900626     -1.84449786     -1.17660225
+H      4.14573055     -0.72380991     -1.25740956
+H      2.70825478      1.91978492     -0.94083478
+H      2.73611938      1.78129326      2.13835806
+H      1.40866997      2.41022236      1.13548271
+H      2.97181339      3.25765909      1.16540235
+H      4.77706148      1.13854275      0.81694024 
+
+16
+-1594.466491372809 9.894241 10.8429 -9.1408 -7.0881 -10.507 1.3026 -0.5084 0.314 9.55282 0.40988 3.7542092898 11.6207366332 0.191765981
+C      0.96668240     -0.15557069     -0.12327577
+C      2.49981884     -0.02924422     -0.04062015
+C      3.19177807     -0.87123052     -1.12116456
+C      2.89281127      1.45201631     -0.08101874
+C      2.90149530      2.15387576     -1.42716209
+O      3.18024732      2.05152509      0.94629865
+H      0.47492546      0.43162515      0.66458355
+H      0.67014991     -1.20731002      0.00056855
+H      0.58442882      0.18421326     -1.09795104
+H      2.81997464     -0.37727593      0.95421570
+H      2.87239682     -0.58060372     -2.13327664
+H      2.93819841     -1.93316874     -0.98897859
+H      4.28643862     -0.78082733     -1.06787679
+H      2.04183603      1.86686085     -2.04924342
+H      3.80807924      1.86329841     -1.98066712
+H      2.91633884      3.23861635     -1.27504154 
+
+16
+-1588.3019258516213 10.020825 11.00636 -9.6053 -7.3927 -10.922 1.1498 -0.8548 0.017 10.04607 0.6036 3.6878023882 8.2586950614 0.121619745
+C      0.98234753     -0.46695907      0.19777500
+C      2.37520448     -0.14594017     -0.35441631
+C      2.89172607     -1.27295504     -1.25727201
+C      2.36736598      1.20599056     -1.10100533
+C      3.75290913      1.68627558     -1.44812705
+O      4.12843680      2.03045187     -2.55361980
+H      0.62900115      0.31833339      0.88214798
+H      0.98857602     -1.41877146      0.74889988
+H      0.24820459     -0.55865823     -0.61813506
+H      3.06645633     -0.04737090      0.50335662
+H      2.23496658     -1.40358387     -2.13196807
+H      2.92108145     -2.22821359     -0.71331812
+H      3.90496754     -1.06822061     -1.63287663
+H      1.92775335      1.97401911     -0.43753408
+H      1.75877052      1.15901428     -2.01704475
+H      4.46126247      1.71369814     -0.57511228 
+
+14
+-1424.5554824926476 10.345417 11.88445 -9.5419 -7.2062 -9.372 0.8791 -0.115 2.296 8.95414 -1.87723 4.1518323918 10.1660832868 0.663841334
+C      0.96665785      0.00914053     -0.01194537
+C      2.42244089     -0.00926876      0.00039884
+C      3.63830813     -0.04293480      0.00747881
+C      5.09622695     -0.02570319      0.01752534
+C      5.66555195      1.40710651      0.02523319
+O      7.09380381      1.42669466     -0.01494887
+H      0.58175350      1.03996010     -0.00409850
+H      0.55385872     -0.50775136      0.86740941
+H      0.56978892     -0.48820200     -0.90968013
+H      5.49539304     -0.55580858     -0.86287815
+H      5.46878385     -0.56748016      0.90547235
+H      5.27553423      1.95620263      0.90031423
+H      5.33256396      1.93871814     -0.87711669
+H      7.42323420      1.09470627      0.83854554 
+
+14
+-1425.0623720358378 10.334346 11.71598 -9.6708 -7.3561 -9.365 0.8137 -0.141 2.213 8.94938 -1.79605 4.148757539 9.8281470452 0.40047367
+C      0.96355858     -0.00456192     -0.00265530
+C      2.41836458     -0.00490427     -0.01412138
+C      3.63525796     -0.00723296     -0.00447752
+C      5.10001720      0.01761946     -0.03347478
+C      5.66082599     -0.76479285     -1.22817245
+O      5.61184442      1.36732307      0.00065816
+H      0.57012782      1.02271087      0.02146190
+H      0.57566796     -0.53020527      0.88261484
+H      0.55478101     -0.49996996     -0.89585040
+H      5.48064631     -0.43520694      0.89813406
+H      5.29464687     -0.33839638     -2.17318279
+H      5.34907601     -1.81772378     -1.18323046
+H      6.75749855     -0.71330751     -1.21499185
+H      5.10901674      1.87616844     -0.66145204 
+
+12
+-1297.5542275710895 10.111423 11.16966 -9.4717 -7.5566 -10.055 0.0816 -1.6628 -0.415 9.42762 1.05403 3.4955620952 10.1923435216 0.617075151
+C      0.96936234      0.00864261     -0.00074932
+C      2.41936519      0.00167296     -0.00019571
+C      3.63922677      0.01145478      0.00090493
+C      5.08625345      0.02862169      0.00250521
+C      5.78676889     -1.31903463     -0.00490314
+O      5.71353910      1.08513734      0.00817234
+H      0.57345075      1.03408111      0.01066916
+H      0.57852408     -0.52186185      0.88015044
+H      0.57950451     -0.50148070     -0.89404294
+H      5.08626284     -2.16163054      0.01474630
+H      6.45661520     -1.37105632      0.86462513
+H      6.41472687     -1.38167646     -0.90477239 
+
+12
+-1292.388681350683 9.841451 11.15624 -9.5773 -7.3112 -9.694 0.9634 -1.0652 -0.094 9.29728 0.74086 3.6535202592 10.357728447 0.512261877
+C      0.97684473      0.00873833     -0.01066505
+C      2.43176055     -0.00933219     -0.00407520
+C      3.64706280     -0.04843088      0.00547254
+C      5.10229632     -0.01487268      0.02100398
+C      5.64931447      1.41102062     -0.06804838
+O      6.61687672      1.80202284      0.55048814
+H      0.59407797      1.03985005      0.00852927
+H      0.57180540     -0.51420908      0.86827011
+H      0.57592432     -0.48222519     -0.90970719
+H      5.50559919     -0.55524628     -0.85689033
+H      5.52669507     -0.49569006      0.91534914
+H      5.08647246      2.07978455     -0.76662703 
+
+16
+-1576.7993190038928 10.776129 11.67676 -9.5126 -7.3245 -9.331 1.2796 -0.1615 1.217 8.79968 -0.60753 6.3582004576 6.3582004576 0.404900368
+C      1.98598243     -0.62034257      1.07993956
+C      2.85947019     -0.18215749     -0.10565987
+C      3.15665811      1.28799759     -0.09278093
+C      4.37783517      1.84059650     -0.03862912
+C      4.62766830      3.31682015      0.00039908
+O      5.31055143      3.72502913      1.20120426
+H      1.76547648     -1.69615927      1.03101316
+H      1.02681446     -0.08103599      1.08801458
+H      2.49147174     -0.41837191      2.03544104
+H      2.33463348     -0.43377631     -1.04439375
+H      3.80306931     -0.75044261     -0.11188098
+H      2.28436149      1.95559433     -0.12537848
+H      5.26630309      1.19929821      0.00640722
+H      3.67501795      3.86558923     -0.12209159
+H      5.29709408      3.62350160     -0.81866057
+H      4.79559229      3.37200940      1.94910639 
+
+14
+-1449.943651181345 10.674155 11.09347 -9.4294 -7.3864 -10.128 -0.0018 -1.7426 -0.777 9.4878 1.36933 3.4478770796 5.3547445638 0.596873075
+C      0.91144965     -0.14491437     -0.05145579
+C      2.43669462      0.01046526      0.07392417
+C      2.86407482      1.44172809      0.07406068
+C      3.55082092      2.06834508      1.04973539
+C      3.89660892      3.48841340      0.93641646
+O      4.51386093      4.12640715      1.77982356
+H      0.63254122     -1.20651632     -0.09327421
+H      0.53554170      0.33906434     -0.96467469
+H      0.39875740      0.31084187      0.80704768
+H      2.91501766     -0.49604397     -0.78357798
+H      2.80021978     -0.49134830      0.98354842
+H      2.57145443      2.03362865     -0.80474584
+H      3.87354734      1.55026059      1.95791142
+H      3.54516063      3.97737852     -0.01135927 
+
+16
+-1576.3847553366058 10.389194 11.18117 -9.6244 -7.4151 -9.455 1.1419 -0.1565 1.234 8.84345 -0.6128 6.4676305012 6.4676305012 0.397758514
+C      0.99621902      0.00667034      0.13578790
+C      2.49490608      0.27745657      0.03078853
+C      2.91967346      1.72679560      0.02963626
+C      2.07205394      2.76817452      0.03191179
+C      4.41270404      1.96557887      0.03936770
+O      5.04760758      1.47134582      1.23408536
+H      0.80031075     -1.07455854      0.13476137
+H      0.44351471      0.44471296     -0.70850138
+H      0.57658475      0.42118113      1.06450791
+H      2.89345695     -0.18738915     -0.89042968
+H      3.03106074     -0.22900370      0.85154031
+H      0.98865942      2.64067633      0.03214594
+H      2.44709008      3.79407005      0.02383636
+H      4.62406910      3.04013767     -0.10488973
+H      4.89652513      1.41307903     -0.78229617
+H      4.63739426      1.93963250      1.98378753 
+
+14
+-1448.8207106469695 10.084919 10.48059 -9.6157 -7.5322 -10.146 -0.0796 -1.8743 -0.868 9.77467 1.41704 3.4155911252 5.33077807 0.449670547
+C      1.06159567     -0.37087279     -0.09615186
+C      2.49480757      0.13654270      0.13674137
+C      2.60249117      1.63553571      0.05068135
+C      3.14129626      2.30979716     -0.98404356
+C      2.08730263      2.44881236      1.18008751
+O      1.61610867      1.99102307      2.21111900
+H      1.03004556     -1.46760879     -0.03453537
+H      0.69428838     -0.07399888     -1.08905529
+H      0.37606364      0.03108139      0.66136678
+H      3.17978982     -0.31750310     -0.59496018
+H      2.82399160     -0.17751293      1.13991146
+H      3.56640429      1.80268577     -1.85186350
+H      3.17124251      3.40240475     -0.98024010
+H      2.17154223      3.55595358      1.02623238 
+
+18
+-1718.6033390785558 10.450816 11.63814 -10.1022 -7.798 -12.016 0.8987 -0.0865 2.847 11.53503 -2.56648 9.8411655752 10.8842225974 0.134345058
+C      0.94928672     -0.07529908     -0.00113645
+C      2.47396241      0.03799526      0.07467306
+C      3.00867021      1.48124192      0.09538800
+C      2.54902425      2.27148359      1.32493523
+C      4.54088227      1.46560306     -0.00663495
+O      5.13569486      2.76678871     -0.10014703
+H      0.63561634     -1.12680116     -0.06965130
+H      0.55620502      0.44752780     -0.88712540
+H      0.46107027      0.35591619      0.88441493
+H      2.91608907     -0.49120471     -0.78740329
+H      2.83740356     -0.48858583      0.97569021
+H      2.62604238      1.99144461     -0.81242281
+H      2.82433050      1.73916881      2.25050057
+H      1.46086686      2.42230415      1.33357225
+H      3.03093411      3.25812871      1.35080416
+H      4.84962319      0.83399949     -0.86153281
+H      4.97103483      1.01823923      0.90463836
+H      4.85309315      3.15793925     -0.94542272 
+
+18
+-1723.1660538551332 10.408923 11.43212 -9.9188 -7.731 -11.818 0.8788 -0.0897 2.762 11.32334 -2.45173 9.4928517054 10.3480823362 0.111482669
+C      0.89577191     -0.09918330      0.00011834
+C      2.41969815      0.04987302      0.00531751
+C      2.97429671      1.49166190     -0.00440524
+C      2.58232432      2.24586386     -1.27586255
+C      2.55518857      2.27426460      1.24697516
+O      4.42286138      1.41992107     -0.06020965
+H      0.61534837     -1.16212771      0.00626167
+H      0.44495177      0.35142335     -0.89582070
+H      0.43244973      0.36571056      0.88239761
+H      2.84949109     -0.46754286     -0.86764307
+H      2.82624235     -0.45851317      0.89891388
+H      2.90389340      1.68691709     -2.16596901
+H      3.07425045      3.22823614     -1.29171962
+H      1.49685256      2.40217325     -1.32930932
+H      2.85544640      1.73897120      2.16206539
+H      1.46719311      2.42730439      1.28957784
+H      3.04232755      3.25912338      1.24973997
+H      4.71931217      0.92728323      0.72600179 
+
+16
+-1588.1774169723958 9.976042 10.97224 -9.5121 -7.325 -10.838 1.0969 -0.8323 0.088 9.95928 0.5461 3.7289657402 10.7360965232 0.108085616
+C      3.00135024     -1.04868867     -0.69106159
+C      2.66233086     -0.03992998      0.40831759
+C      3.12614299      1.39901299      0.10308628
+C      2.61753303      2.38879073      1.16542354
+C      4.63919930      1.45427774      0.08104482
+O      5.32819228      1.81509921     -0.85435085
+H      2.64032538     -2.05272445     -0.42800005
+H      4.08567090     -1.11857457     -0.86227689
+H      2.53676432     -0.76393580     -1.64679324
+H      3.10642134     -0.36163355      1.36756241
+H      1.57254921     -0.01657506      0.57330864
+H      2.77201205      1.70286095     -0.89538907
+H      3.01404381      2.13989793      2.16229257
+H      1.52044118      2.35015803      1.22362842
+H      2.91200457      3.42055258      0.92875463
+H      5.11600852      1.12942193      1.04828279 
+
+14
+-1420.1171050816022 10.436967 11.90766 -9.5091 -7.1237 -9.248 0.946 -0.2216 2.391 8.83717 -1.95512 4.177584284 10.1781223274 0.401318872
+C      0.97348201     -0.08478304      0.00724010
+C      2.51077417     -0.01367339      0.00231742
+C      3.01390610      1.35534925     -0.00585101
+C      3.39129107      2.51114225     -0.01715214
+C      3.88963923      3.87860834     -0.01953560
+O      2.85694474      4.77526990     -0.47218009
+H      0.64029237     -1.13182132      0.00769796
+H      0.55850760      0.41242961     -0.87948825
+H      0.56324333      0.41217235      0.89638593
+H      2.90475011     -0.55232617     -0.87606087
+H      2.90912325     -0.53869897      0.88704657
+H      4.77694758      3.93887742     -0.67897968
+H      4.21958600      4.14650183      1.00277393
+H      3.23325244      5.67251194     -0.45374425 
+
+12
+-1290.1057822992884 10.201933 11.1483 -9.8548 -7.8435 -10.217 -0.0638 -1.9258 -0.697 9.77009 1.29091 3.4762202792 10.7784625394 0.535623437
+C      0.96767279     -0.08846460      0.00307522
+C      2.50304767     -0.00062441     -0.00006005
+C      3.01024451      1.36105896      0.00003389
+C      3.38557615      2.52321315      0.00010503
+C      3.90049080      3.86447231      0.00018847
+O      3.20654286      4.87454466      0.00026135
+H      0.64988318     -1.13957536      0.00293345
+H      0.54727373      0.40253012     -0.88396613
+H      0.55098474      0.40114758      0.89263154
+H      2.91475247     -0.52398453     -0.88005482
+H      2.91845238     -0.52557295      0.87723865
+H      5.01548873      3.92886508     -0.00023661 
+
+18
+-1721.6272458271528 10.55201 11.88503 -10.0217 -7.7933 -11.943 0.9112 -0.0573 2.909 11.436 -2.64727 9.7247303226 10.546373146 0.094293434
+C      1.08235229     -0.21431202      0.01819247
+C      2.60959023     -0.13222432     -0.00073100
+C      3.13076797      1.30682638      0.02531137
+C      4.65971518      1.42034222      0.05146208
+C      5.13761168      2.86831526     -0.03995866
+O      5.22433769      0.76097111      1.20283587
+H      0.73479598     -1.25733513     -0.00127012
+H      0.64148777      0.30002109     -0.85019190
+H      0.66944522      0.25653874      0.92414633
+H      2.99682220     -0.63776063     -0.90259800
+H      3.02951301     -0.67936068      0.85782603
+H      2.72337642      1.83588740      0.90907113
+H      2.75237517      1.85505071     -0.85607168
+H      5.07130299      0.85116239     -0.80037300
+H      4.73832023      3.46450005      0.79745177
+H      4.80021505      3.34078213     -0.97438018
+H      6.23438535      2.91261247     -0.00285910
+H      4.94994557      1.26899284      1.98823659 
+
+16
+-1595.8002769170157 9.996245 11.26771 -9.2753 -7.2068 -10.635 1.3339 -0.5043 0.254 9.65592 0.46047 3.736876047 11.3156070872 0.194391605
+C      1.26389571     -0.36970940      0.15829791
+C      2.78746936     -0.38525218      0.03095296
+C      3.39431474      1.01550565      0.04078632
+C      4.91249380      1.04965177     -0.08443204
+C      5.55456781      2.42505741     -0.10707281
+O      5.58121983      0.02859434     -0.16270251
+H      0.85446804     -1.38988648      0.14825669
+H      0.79552344      0.18360863     -0.67061390
+H      0.94252745      0.10723177      1.09737705
+H      3.08681352     -0.89732816     -0.89653375
+H      3.23257862     -0.97311279      0.84828361
+H      3.12357444      1.55696967      0.96673565
+H      2.97467059      1.63470766     -0.77391309
+H      5.15985443      3.01867590     -0.94565076
+H      6.64159198      2.32874829     -0.20208939
+H      5.31028625      2.97731792      0.81317807 
+
+16
+-1588.5433417453753 10.065492 11.29294 -9.6722 -7.4329 -10.985 1.3135 -0.7567 -0.009 10.09289 0.62672 3.6779702984 13.6632695986 0.206030014
+C      1.11408669     -0.40981664      0.03512544
+C      2.64313340     -0.36805834      0.00319759
+C      3.19728662      1.05893205     -0.03444810
+C      4.72077033      1.11135903     -0.07727490
+C      5.32042047      2.49406336     -0.11268501
+O      4.69011058      3.53583141     -0.09920836
+H      0.74007217     -1.44306408      0.06376874
+H      0.68515228      0.07693368     -0.85399117
+H      0.72079124      0.11322305      0.92008180
+H      3.00812220     -0.92725805     -0.87599050
+H      3.04451644     -0.89473289      0.88659626
+H      2.84229354      1.62188667      0.84410732
+H      2.79451340      1.59362350     -0.91017151
+H      5.12538360      0.56868546     -0.95336095
+H      5.17325230      0.59444992      0.79119800
+H      6.44238474      2.50947185     -0.15499466 
+
+18
+-1709.7699468237356 10.737133 12.21605 -9.6766 -7.3949 -11.615 0.995 0.0701 3.121 10.9085 -2.8989 9.3920262902 11.6299363944 0.254872048
+C      0.96525303     -0.13335268      0.00461546
+C      2.49347268     -0.05965551      0.01042134
+C      3.01931026      1.37873706     -0.00208330
+C      4.53834203      1.44908386      0.00086742
+O      4.94407678      2.81560131      0.00270490
+C      6.35634293      2.94630106      0.00055353
+H      0.61273244     -1.17461594      0.01672658
+H      0.54757114      0.35099211     -0.89123165
+H      0.53980563      0.37424969      0.88379121
+H      2.89063408     -0.60370047     -0.86401040
+H      2.88303680     -0.58485702      0.89964573
+H      2.63856849      1.92589391      0.87637189
+H      2.64182128      1.90982263     -0.89173461
+H      4.95234022      0.93362798     -0.89166464
+H      4.94879804      0.93287111      0.89464811
+H      6.58401649      4.01987847      0.00982833
+H      6.80680006      2.48974230     -0.90217582
+H      6.81105761      2.47351013      0.89269592 
+
+16
+-1570.975208642383 10.6285 11.48002 -8.4011 -6.3766 -8.976 0.9533 0.0531 1.296 8.52914 -0.74151 6.072958266 6.072958266 0.326208739
+C      1.66237229     -0.70118508     -0.92577982
+C      2.96239891     -0.47646059     -0.13845429
+C      3.15677179      0.95279746      0.28739196
+C      4.20082870      1.69308959     -0.12219804
+O      4.49343638      2.99487844      0.17737135
+C      3.56956720      3.66351493      1.03635002
+H      1.54306511     -1.75921471     -1.20220674
+H      1.65354695     -0.10119935     -1.84735750
+H      0.78368571     -0.40987275     -0.33029939
+H      3.82423605     -0.79853122     -0.74585189
+H      2.95471699     -1.13014073      0.75210662
+H      2.39478409      1.38138924      0.94365940
+H      4.97183135      1.28560613     -0.78185168
+H      3.95777676      4.67940530      1.16948010
+H      3.50298054      3.15904629      2.01496243
+H      2.56533118      3.70520706      0.58190746 
+
+16
+-1574.1263475105943 10.491772 11.28267 -8.5644 -6.5459 -9.117 0.9756 0.0552 1.321 8.52649 -0.75715 6.212380523 6.212380523 0.347320177
+C      2.26469045     -0.47707683      1.43911130
+C      2.15600642      0.17313297      0.05190339
+C      2.73920294      1.55980622     -0.00488562
+C      2.02229555      2.67946259     -0.21797780
+O      4.09650592      1.51382495      0.19927949
+C      4.78944801      2.76145720      0.19642577
+H      1.84264451     -1.49181036      1.42529556
+H      1.71778761      0.11052434      2.19069024
+H      3.31308165     -0.54780072      1.75842110
+H      1.10411804      0.22880531     -0.26184093
+H      2.68218262     -0.45367216     -0.68770867
+H      0.94815640      2.59740611     -0.36979852
+H      2.45872742      3.67516757     -0.24917648
+H      5.84358337      2.52390618      0.37962911
+H      4.41361122      3.42513194      0.99258258
+H      4.68715788      3.26895468     -0.77709054 
+
+18
+-1711.502559084068 10.553625 11.71778 -9.4956 -7.3387 -11.494 0.9804 0.0731 3.08 10.75996 -2.79406 9.2316503992 11.418056719 0.107861026
+C      2.34153485     -1.25093089      0.05213478
+C      1.57221488      0.00296300      0.46817211
+C      2.46993373      1.18140664      0.84838901
+C      1.66374732      2.45125572      1.12570946
+O      3.23272823      0.77116218      1.99813881
+C      4.38397847      1.56540532      2.23740685
+H      1.65425454     -2.07009432     -0.20259281
+H      2.99660712     -1.59345247      0.86435122
+H      2.97033019     -1.05605334     -0.83060836
+H      0.92109472     -0.21924971      1.33059938
+H      0.91022158      0.33048991     -0.34993727
+H      3.17885381      1.37454683      0.01414675
+H      0.94716480      2.27594795      1.94174775
+H      1.10339953      2.75230608      0.22868116
+H      2.31047323      3.29325888      1.40849484
+H      4.93263819      1.09053066      3.06152885
+H      4.13488122      2.60055090      2.53491723
+H      5.04080361      1.60507666      1.34691026 
+
+12
+-1275.7830492704334 9.05749 9.52395 -10.0562 -8.0238 -10.368 0.1736 -1.5993 -0.74 9.85878 1.24555 4.074241953 5.55023329 0.490910452
+C      0.88093634      0.04525859      0.05106343
+C      2.37366784      0.00341346      0.07218087
+C      3.17786078      1.04537750     -0.19896878
+C      4.66182460      1.05581930     -0.12510531
+O      5.31338022     -0.15325182     -0.15457087
+O      5.30352273      2.08355639     -0.03451587
+H      0.48042001     -0.70403647     -0.64991009
+H      0.50538518      1.03415419     -0.24113825
+H      0.47078081     -0.20712055      1.04165495
+H      2.81026171     -0.96092320      0.36506434
+H      2.75245853      2.02414245     -0.43360707
+H      4.66556124     -0.86026983     -0.33690736 
+
+12
+-1275.151880086946 8.700905 9.1359 -10.2187 -8.1421 -10.323 0.2018 -1.5715 -0.667 9.80004 1.13734 4.1106566412 5.5269735164 0.330268847
+C      0.99172386     -0.00412660     -0.09915501
+C      2.48732785     -0.09775631     -0.01580778
+C      3.16449049     -1.25911740     -0.04182162
+C      3.19689318      1.21266602      0.20760066
+O      4.47597484      1.31253492     -0.27281855
+O      2.68753711      2.15102066      0.78388052
+H      0.68518470      0.60047382     -0.96606647
+H      0.59957014      0.50879308      0.79010541
+H      0.53580253     -0.99797882     -0.17956193
+H      2.64331529     -2.21189227     -0.14929837
+H      4.24693719     -1.31293765      0.09280728
+H      4.67098284      0.51222055     -0.79793414 
+
+14
+-1416.6749921443952 8.689854 9.55153 -10.0233 -7.889 -11.301 0.662 -0.4507 0.131 10.29596 0.47169 4.3316492876 13.9092702212 0.16599165
+C      0.96469502     -0.03175962     -0.09206641
+C      2.50094109      0.00532878     -0.04762144
+C      3.12676860     -0.89556950     -1.12475303
+C      3.03340462      1.43735215     -0.13027152
+O      2.75545826      2.12226600     -1.28995735
+O      3.66812763      1.98265676      0.74443803
+H      0.52367223      0.62228786      0.67228770
+H      0.61003749     -1.05635133      0.08844972
+H      0.57071858      0.27971458     -1.07278346
+H      2.83222227     -0.34644431      0.94021446
+H      2.80450868     -0.61327399     -2.13988968
+H      2.81791440     -1.93839348     -0.96569777
+H      4.22407780     -0.85583389     -1.09543648
+H      2.24055334      1.54727999     -1.88871278 
+
+10
+-1119.288755561537 8.779069 9.6503 -10.2349 -8.1267 -10.442 0.4608 -1.4471 -0.603 10.1485 1.13829 3.6542517766 10.1062724404 0.458158134
+C      0.96893346      0.00726059      0.00013804
+C      2.41841438     -0.02140268      0.00008131
+C      3.63641176     -0.02842499      0.00002219
+C      5.08084756      0.02016752     -0.00004859
+O      5.69318059     -1.20846100     -0.00003341
+O      5.73549012      1.04053760      0.00001943
+H      0.59620568      1.04130868      0.01162892
+H      0.56871180     -0.51275955      0.88262872
+H      0.56947449     -0.49246018     -0.89436776
+H      4.99747017     -1.89543600     -0.00007885 
+
+14
+-1417.833397997954 8.762856 9.81664 -10.217 -8.0761 -11.458 0.6377 -0.413 0.075 10.40299 0.51969 4.3245200926 11.1711262014 0.226034746
+C      0.67270267     -0.70387960     -0.30711554
+C      2.08099236     -0.19839560      0.00591166
+C      2.17008802      1.32738330     -0.01778747
+C      3.56032113      1.86268857      0.29235310
+O      3.67771700      3.23377469      0.25854790
+O      4.52837345      1.18790023      0.55679489
+H      0.63395225     -1.80172384     -0.28571756
+H      0.34047912     -0.37974289     -1.30548801
+H     -0.06119404     -0.33175121      0.42436813
+H      2.80412470     -0.60765932     -0.71548807
+H      2.40691880     -0.55781643      0.99344926
+H      1.46408839      1.76457856      0.71123699
+H      1.86293518      1.71474494     -1.00595891
+H      2.81261097      3.62486860      0.03016364 
+
+18
+-1712.9769946078616 10.764861 12.22634 -9.5418 -7.3407 -11.516 1.0054 0.0778 3.206 10.80989 -2.99772 9.3316327096 12.3130124642 0.172913233
+C     -0.78063741     -0.13182989      0.48693224
+C      0.28554979     -0.41635445     -0.57216283
+C      1.66858170      0.04511503     -0.13712372
+O      2.60586375     -0.25055844     -1.16783281
+C      3.93151756      0.14548222     -0.82342597
+C      4.85891218     -0.20208480     -1.97300290
+H     -1.76996086     -0.47407484      0.15335261
+H     -0.85719934      0.94506420      0.70189162
+H     -0.55405657     -0.64505126      1.43406941
+H      0.02888944      0.08698892     -1.51780256
+H      0.32865149     -1.49512334     -0.79092143
+H      1.96586095     -0.46374099      0.80455947
+H      1.66352933      1.13641040      0.07073322
+H      4.24903342     -0.37144826      0.10577564
+H      3.95709076      1.23519408     -0.61544347
+H      4.83995964     -1.28233723     -2.17283322
+H      5.89074885      0.08839756     -1.73071246
+H      4.55572532      0.32404110     -2.88866284 
+
+10
+-1145.6191015311517 9.895651 9.8712 -9.8157 -7.6829 -9.42 -0.5874 -2.3311 -1.081 9.02877 1.66585 3.4124418808 11.5111206106 0.428472361
+C      0.93093948     -0.02060994     -0.04384457
+C      2.28271326      0.04049042     -0.00324781
+C      3.02932629     -1.25958265      0.01831138
+O      4.23806860     -1.37753482      0.05449191
+C      3.02199602      1.25340727      0.01967905
+C      3.69549795      2.26439030      0.04053879
+H      0.31092626      0.87446895     -0.06185656
+H      0.43210120     -0.99166492     -0.05935493
+H      2.34946028     -2.14994910     -0.00257042
+H      4.28703066      3.15686450      0.05883315 
+
+12
+-1305.221971795712 10.295476 10.31809 -9.3449 -7.4702 -10.305 -0.7676 -2.4462 -0.954 9.2463 1.67931 3.2909975938 5.363882332 0.769183211
+C      2.20337846     -1.43056546      0.47639703
+C      3.41573587     -0.86833848      0.36591745
+C      3.58743598      0.61406861      0.28317058
+O      2.62870031      1.38697236      0.31215669
+C      4.99605369      1.09954128      0.16480702
+C      5.28525892      2.40653352      0.08598868
+H      2.07353907     -2.51116481      0.53684794
+H      1.31429972     -0.79664550      0.50707816
+H      4.31816539     -1.48543994      0.33333845
+H      5.79066390      0.34826256      0.14425277
+H      4.47716718      3.14122939      0.10813687
+H      6.31109151      2.76477646     -0.00068163 
+
+10
+-1145.0509467904797 9.603694 9.69561 -9.8432 -7.9614 -10.6 -0.6971 -2.494 -1.197 9.46965 1.82106 3.2976804392 5.5687567984 0.458067006
+C      0.93404689     -0.08247591      0.05563125
+C      2.26484791      0.02791875     -0.07547706
+C      3.00808155      1.30203042      0.06127440
+O      4.23181953      1.35826793     -0.06769164
+C      2.24470594      2.50710193      0.35678053
+C      1.65563932      3.54149745      0.60298104
+H      0.42957447     -1.04289949     -0.05383949
+H      0.31670628      0.79054745      0.27697594
+H      2.89939464     -0.83362114     -0.29669665
+H      1.15371347      4.46346261      0.81979167 
+
+14
+-1425.7139687685706 10.544672 11.04794 -8.9135 -6.79 -9.53 1.5321 -0.2274 1.155 9.25031 -0.67965 6.3985207048 6.3985207048 0.402171939
+C      0.64904850      1.01454815      1.80545057
+C      1.01937421      0.26140536      0.76573371
+C      2.42891750      0.14692347      0.28030381
+O      2.74956459     -1.24960139      0.12594803
+C      3.98971869     -1.52456384     -0.36829970
+C      4.96062848     -0.66452033     -0.71420458
+H     -0.39765879      1.10820889      2.09663546
+H      1.38173265      1.57011250      2.39632045
+H      0.27207709     -0.29369467      0.19008701
+H      3.13439176      0.61830623      0.98686093
+H      2.54238218      0.64240384     -0.70301881
+H      4.11641162     -2.60590608     -0.45692039
+H      4.87020938      0.41696618     -0.63369134
+H      5.89679213     -1.06593830     -1.09657516 
+
+14
+-1430.0572336427044 11.331798 11.65654 -8.2595 -6.2089 -8.825 0.9646 0.1224 1.149 8.40349 -0.64513 5.8272924056 5.8272924056 0.577806869
+C     -0.01911446      0.09242138      0.03223514
+C      1.41832400     -0.31438029      0.13076849
+C      2.43761473      0.51882239     -0.10360915
+O      3.74851084      0.09966446     -0.00438938
+C      4.72874474      1.02571575     -0.25789685
+C      6.02682127      0.71138692     -0.21354457
+H     -0.55652176     -0.51360133     -0.71450774
+H     -0.12321103      1.14840869     -0.25465938
+H     -0.54284389     -0.04923838      0.99101357
+H      1.64908509     -1.34672329      0.40734824
+H      2.30279664      1.56843190     -0.38621317
+H      4.36699566      2.03155046     -0.49447061
+H      6.36409508     -0.29659285      0.02386881
+H      6.76643308      1.48101418     -0.41883340 
+
+14
+-1433.0050680330507 10.718702 11.04266 -8.6649 -6.5962 -9.034 1.5553 -0.045 1.079 8.51176 -0.6537 5.9715253194 5.9715253194 0.380994041
+C      0.63606424     -0.79179526     -0.04839998
+C      2.12449568     -0.92767214      0.01692826
+C      2.79650821     -1.98467905      0.50020301
+O      2.73071568      0.22144188     -0.47200819
+C      4.04792604      0.14614642     -0.86746023
+C      4.85626909      1.20731497     -0.80875465
+H      0.31148358      0.10133423      0.50619521
+H      0.14736116     -1.67188317      0.38369804
+H      0.30221250     -0.66810690     -1.08935832
+H      2.24398806     -2.85158980      0.85536639
+H      3.88167938     -2.00310505      0.57984902
+H      4.34514383     -0.82367946     -1.27862920
+H      4.52519109      2.15255060     -0.37973505
+H      5.86439148      1.13587273     -1.21140431 
+
+12
+-1284.17156160032 9.466106 10.23424 -9.7998 -7.5613 -10.049 0.8635 -1.0971 -0.088 10.121 0.75591 3.67928455 10.7563310384 0.342208878
+C      0.96758637     -0.04608544      0.08275184
+C      2.51092976      0.01835812     -0.01345440
+C      2.97279307     -0.80415356     -1.22374671
+O      3.67432020     -0.41847110     -2.13131570
+C      3.02189661      1.38026518     -0.00315449
+C      3.43287874      2.52109722      0.00566526
+H      0.62938796      0.41312266      1.01924999
+H      0.62297179     -1.08979282      0.06211400
+H      0.50939163      0.49499995     -0.75531588
+H      2.92142574     -0.52736515      0.86010164
+H      2.57846610     -1.85481087     -1.19465555
+H      3.80306204      3.52585581      0.00597001 
+
+16
+-1576.873901408358 10.383064 11.08106 -9.8422 -7.6183 -9.763 1.2358 -0.159 1.209 9.20936 -0.64005 6.7364817436 6.7364817436 0.424912987
+C      0.93493051     -0.10358657     -0.10030019
+C      2.45708519     -0.00054512      0.09425079
+C      2.89365324     -0.73139487      1.36118247
+O      3.13168061     -0.69978816     -0.98901620
+C      2.87429173      1.45728863      0.05716652
+C      3.48703084      2.15372809      1.01927953
+H      0.62293255      0.40445480     -1.02618598
+H      0.39638522      0.36474919      0.73613382
+H      0.64098822     -1.16042960     -0.16922126
+H      2.41057582     -0.30355653      2.24949897
+H      3.98334554     -0.67635174      1.48213776
+H      2.60859803     -1.78909644      1.28488751
+H      2.88891507     -0.25782240     -1.82239962
+H      2.62686780      1.96598056     -0.88472136
+H      3.75324553      1.70839316      1.97976284
+H      3.74613410      3.20364701      0.87547443 
+
+14
+-1420.462744206285 9.950896 10.84899 -10.1615 -7.8412 -9.918 0.9039 -0.0959 2.103 9.4935 -1.71842 4.3565084806 10.697016136 0.530885653
+C      0.97221708     -0.02509355     -0.03350934
+C      2.51141289     -0.01489422      0.00271720
+C      3.04219739     -0.78598822      1.21787065
+O      3.04146067     -0.71117272     -1.15234348
+C      3.00236164      1.37413912      0.01708863
+C      3.39018922      2.52476393     -0.00477257
+H      0.60253780      0.51038744     -0.91905735
+H      0.55508025      0.46225350      0.85844361
+H      0.62182087     -1.06530932     -0.07503563
+H      2.67966143     -0.33387140      2.14948153
+H      4.13894520     -0.77713066      1.21862297
+H      2.69445762     -1.82657614      1.16232977
+H      2.85719275     -0.15859564     -1.93315209
+H      3.74484520      3.53529789     -0.01806389 
+
+16
+-1574.0331871817075 10.405382 11.10953 -8.6501 -6.6033 -9.368 0.961 0.0438 1.229 8.90152 -0.74029 6.3331552856 6.3331552856 0.330851651
+C      1.23367120     -1.41270147      0.88152841
+C      2.16664733     -1.18955199     -0.29988472
+C      3.11946074     -2.35926579     -0.53140218
+O      1.30865953     -0.99936785     -1.45877565
+C      1.81393256     -0.31750785     -2.52354512
+C      3.02545291      0.23888763     -2.68882828
+H      0.56293333     -0.55385765      1.01561463
+H      1.81674783     -1.54813491      1.80295131
+H      0.62179677     -2.31243335      0.72317698
+H      2.73629754     -0.25611985     -0.14433661
+H      2.54995918     -3.29309751     -0.64485628
+H      3.79881701     -2.47047917      0.32592339
+H      3.72553117     -2.21050419     -1.43412225
+H      1.05215781     -0.25590599     -3.30506974
+H      3.82458223      0.19722639     -1.95133697
+H      3.22518285      0.76752354     -3.61857692 
+
+16
+-1575.7295015692323 10.434829 11.15255 -9.8274 -7.5825 -9.603 1.4119 -0.1947 1.205 9.05262 -0.63956 6.6125081422 6.6125081422 0.436066555
+C      0.95976635     -0.16002939      0.13615662
+C      2.46485814      0.04836143     -0.08232288
+C      2.89707964     -0.53500270     -1.44480589
+O      4.30482980     -0.48406326     -1.65660059
+C      2.84205634      1.50339135     -0.02254133
+C      3.88114639      2.00672253      0.65736691
+H      0.64641952      0.22417271      1.11634614
+H      0.70058085     -1.22786659      0.08957665
+H      0.37164675      0.36363564     -0.63358061
+H      3.02923412     -0.49433896      0.69538478
+H      2.34981043     -0.01153596     -2.25520248
+H      2.62129381     -1.59970654     -1.49160945
+H      4.58689799      0.42903858     -1.45385976
+H      2.22403780      2.17886617     -0.62903666
+H      4.51648932      1.36858500      1.27707947
+H      4.11944274      3.07134999      0.63284907 
+
+14
+-1419.6006986702066 9.914417 10.79644 -10.0526 -7.7234 -9.913 0.9501 -0.0526 2.197 9.48689 -1.77885 4.337836189 10.9401650806 0.342250661
+C      0.94031645     -0.02444759      0.04186848
+C      2.47940991     -0.02009220      0.02231796
+C      3.02467852     -0.77484576     -1.21362662
+O      4.44409412     -0.83160522     -1.25455204
+C      3.02560638      1.33663800      0.04245407
+C      3.51661951      2.44780141      0.00556704
+H      0.55940512      0.49860480      0.92811241
+H      0.56380509     -1.05706734      0.06052762
+H      0.53812702      0.47772388     -0.84923314
+H      2.85520687     -0.54676706      0.91759218
+H      2.61004892     -0.30604976     -2.12702237
+H      2.67684957     -1.81802791     -1.17625500
+H      4.76395359      0.09045449     -1.21711818
+H      3.93022893      3.43585027     -0.00167241 
+
+16
+-1596.1713218470115 9.901155 11.19643 -9.2183 -7.1776 -10.621 1.3267 -0.4585 0.275 9.63063 0.45854 3.743695277 11.6565065942 0.30829908
+C      1.42602286     -0.61943143     -0.45794646
+C      2.89802950     -0.34359140     -0.17473502
+C      3.23569717      1.13623478     -0.02429063
+O      2.37984783      2.00633595     -0.10383625
+C      4.70228427      1.46816640      0.23171657
+C      4.98525097      2.95835485      0.38089715
+H      1.24331166     -1.69813132     -0.55399022
+H      1.10575641     -0.12905503     -1.38690395
+H      0.79075267     -0.22956912      0.34834437
+H      3.54322053     -0.75588071     -0.97057085
+H      3.22967592     -0.85471537      0.74672757
+H      5.29157711      1.03041026     -0.59356281
+H      5.02002610      0.90850948      1.12936882
+H      4.68681832      3.50721908     -0.52215900
+H      6.05445402      3.13600140      0.55821382
+H      4.41861469      3.38444217      1.21948687 
+
+14
+-1450.768422900191 9.977455 10.61861 -9.324 -7.3699 -10.576 -0.0257 -1.8113 -0.745 9.42551 1.2832 3.4231790684 5.7774252364 0.499022188
+C      1.33432633     -1.29228239     -0.31786850
+C      2.33888209     -0.17499057     -0.05821054
+C      1.69198648      1.19600438      0.10375832
+O      0.47550845      1.34936634      0.01643673
+C      2.55457896      2.38028673      0.37345935
+C      3.88928596      2.36579058      0.50952273
+H      1.85070126     -2.25408871     -0.43791327
+H      0.75070540     -1.09432500     -1.22647028
+H      0.62067428     -1.38183126      0.51172899
+H      3.07417756     -0.10797370     -0.87865212
+H      2.93298399     -0.38222937      0.84838857
+H      1.99391411      3.31529037      0.46057190
+H      4.47331420      1.44711374      0.42887708
+H      4.44613093      3.28241887      0.70976105 
+
+12
+-1288.815581862298 9.496931 10.20706 -9.7469 -7.7987 -10.716 -0.0898 -1.925 -0.565 9.6782 1.16234 3.562985682 11.6608089084 0.318408249
+C      0.98608853     -0.04981287      0.18184752
+C      2.48981733      0.04587158     -0.11966162
+C      3.00768904      1.47145269     -0.06583683
+O      3.45230313      2.06755520     -1.04073874
+C      2.94596139      2.12368439      1.23633830
+C      2.89931014      2.66276126      2.32540974
+H      0.66033966     -1.09816742      0.15213794
+H      0.40054558      0.50984202     -0.56099240
+H      0.75175743      0.35108813      1.17761781
+H      2.72205161     -0.34139709     -1.12134026
+H      3.05224653     -0.54662907      0.62161391
+H      2.86287963      3.15698118      3.27595464 
+
+18
+-1721.4168267480766 10.486709 11.82126 -9.9818 -7.7778 -11.911 0.9113 -0.0638 2.879 11.41571 -2.60547 9.671279958 11.166675104 0.131434009
+C      1.04357001     -0.19276829     -0.06908721
+C      2.56431206     -0.07301868      0.02911770
+C      3.07045843      1.37407587      0.06253445
+O      2.51081014      2.10603072      1.17136335
+C      4.60176636      1.45316827      0.05040342
+C      5.14542161      2.87954662     -0.03130868
+H      0.72595995     -1.24488664     -0.05009378
+H      0.67323554      0.25230212     -1.00528609
+H      0.55306413      0.33050283      0.76310126
+H      3.03807943     -0.58669433     -0.82433056
+H      2.92810388     -0.59109123      0.93594004
+H      2.67986611      1.90765073     -0.82304986
+H      2.82573261      1.67571223      1.98798736
+H      4.97335841      0.85956812     -0.80179624
+H      4.98413362      0.95259860      0.95942155
+H      4.83648249      3.36538105     -0.96948946
+H      6.24394493      2.88874839      0.00443512
+H      4.76833029      3.49242364      0.79882764 
+
+16
+-1575.0868136007698 10.375444 11.22793 -9.8364 -7.6055 -9.848 1.241 -0.309 1.135 9.31585 -0.57804 6.7404616942 6.7404616942 0.410241184
+C      1.09143319     -0.24726595     -0.32957045
+C      2.56757598     -0.20277538      0.06701893
+C      3.14270836      1.21633125      0.06348539
+O      2.41281076      2.09681560      0.95164892
+C      4.61536562      1.32199041      0.37206795
+C      5.44212850      0.31891202      0.69176935
+H      0.70379198     -1.27475063     -0.28880089
+H      0.94549843      0.12490977     -1.35518297
+H      0.48574904      0.37745073      0.34072666
+H      3.15950247     -0.82081455     -0.62801739
+H      2.70172437     -0.64186238      1.07103830
+H      2.96884130      1.65880072     -0.93476861
+H      2.67690591      1.85692654      1.85921823
+H      4.99676341      2.34896992      0.35553879
+H      5.11119040     -0.72094423      0.72439385
+H      6.49058027      0.50710617      0.92705392 
+
+14
+-1417.904530811549 10.016685 11.05289 -10.1934 -7.8303 -9.995 1.0281 -0.1168 2.077 9.59617 -1.68835 4.3765694154 10.7883442236 0.412311726
+C      0.92642558     -0.04110668     -0.05806301
+C      2.45207297     -0.00940524      0.00859478
+C      3.01446417      1.42563551      0.04200661
+O      2.53001942      2.17667807      1.17314390
+C      4.47835991      1.42653140     -0.01095917
+C      5.69248348      1.40159369     -0.00679772
+H      0.55637137     -1.07542443     -0.03940234
+H      0.55990261      0.42884915     -0.98348822
+H      0.48437630      0.49830726      0.79036239
+H      2.89023185     -0.52547613     -0.86065940
+H      2.81551704     -0.54213490      0.90327878
+H      2.62813560      1.97546867     -0.83425539
+H      3.04789552      1.89056830      1.94793131
+H      6.76351417      1.39560534     -0.01256250 
+
+16
+-1572.52535617336 10.533185 11.45153 -8.8354 -6.6865 -9.463 0.9396 0.0184 1.212 9.00037 -0.73484 6.408154417 6.408154417 0.350074884
+C      0.79920480      1.83410662     -1.27977346
+C      0.42116848      0.55203711     -0.53600060
+C      1.60742233     -0.03912911      0.20787874
+O      1.17405251     -1.23154625      0.88392458
+C      2.11938455     -1.89200825      1.60866720
+C      3.41386679     -1.57728386      1.77668836
+H     -0.06773009      2.24936303     -1.81127710
+H      1.58848737      1.65050003     -2.02447018
+H      1.16623310      2.60760541     -0.58819318
+H      0.03458068     -0.19934005     -1.24233147
+H     -0.38542148      0.75361371      0.18629064
+H      2.00535154      0.67596479      0.95153395
+H      2.42628725     -0.29409853     -0.49014338
+H      1.67484730     -2.77451889      2.07464683
+H      3.88805528     -0.70707626      1.32725544
+H      4.02886960     -2.22611948      2.39677364 
+
+10
+-1120.078961654432 8.404518 8.53896 -9.7941 -7.6314 -10.979 -1.0942 -2.9405 -1.699 10.61146 2.23728 3.3457374128 5.5052759664 0.479008823
+C      0.96233219      0.00340000      0.01590522
+C      2.30954788     -0.00529639     -0.00630989
+C      3.07720370     -1.29498959     -0.00277618
+O      2.54383084     -2.39198645      0.02025792
+C      3.05848200      1.27515073     -0.03505874
+O      4.27628079      1.36072654     -0.05640362
+H      0.40368255      0.94197877      0.01339542
+H      0.40541112     -0.93522073      0.03695685
+H      4.18325626     -1.17822319     -0.02253854
+H      2.41244266      2.19080031     -0.03571844 
+
+10
+-1117.9502659429997 8.440708 8.63244 -9.7367 -7.613 -10.906 -1.2771 -3.2404 -2.089 10.11383 2.50744 2.6258622982 4.8641939548 0.301785257
+C      1.43183969     -1.02569654      0.42875904
+C      2.11740249      0.11920508      0.28311837
+C      1.63539393      1.19258729     -0.61279095
+O      0.60964805      1.15562336     -1.28700666
+C      2.49960178      2.46366567     -0.70444959
+O      3.53901103      2.62411554     -0.09626207
+H      1.78079137     -1.82153893      1.08712551
+H      0.49973195     -1.18122767     -0.11927937
+H      3.05256691      0.31053067      0.81284220
+H      2.06871279      3.22986554     -1.39512648 
+
+12
+-1260.7356573669122 8.926502 9.46487 -10.2621 -7.95 -9.988 1.3404 -0.4326 -0.206 9.47382 0.73183 4.3704569056 6.7853074304 0.467254567
+C      1.00949908     -0.28675051      0.93392150
+C      1.83346786     -0.28202917     -0.11848032
+C      3.02455577      0.60912466     -0.23043892
+O      4.19820465     -0.23310691     -0.48713352
+C      5.32935244      0.44240773     -0.78897813
+O      5.45034385      1.64681702     -0.85946889
+H      0.12269021     -0.92077715      0.96024888
+H      1.19035645      0.35219609      1.80176900
+H      1.63704063     -0.93197574     -0.97677030
+H      3.19627463      1.18766518      0.68884594
+H      2.93081806      1.31815732     -1.06801567
+H      6.13941636     -0.29270853     -0.96421957 
+
+12
+-1264.9703463533488 9.258483 9.6159 -9.3118 -7.1612 -9.46 1.1952 -0.7343 -0.223 10.73878 0.79196 4.356186117 6.3118916866 0.358132862
+C      0.67319342      0.07141288     -0.11181643
+C      2.10614562      0.02427748      0.31506879
+C      3.00230752      0.95823567     -0.01119930
+O      4.32198032      0.83016463      0.43206624
+C      5.19712384      1.82304942      0.08815040
+O      4.94550912      2.81051115     -0.56332984
+H      0.40795890     -0.81822445     -0.70440430
+H      0.45797785      0.96168787     -0.71802438
+H      0.00133853      0.08120356      0.76079768
+H      2.43546103     -0.82095526      0.92646400
+H      2.80581910      1.84723689     -0.61075467
+H      6.18422475      1.56348017      0.51358181 
+
+12
+-1264.3574346792473 8.731807 9.16625 -9.8285 -7.5539 -9.665 1.3532 -0.5866 -0.245 10.86119 0.78522 4.3665017522 6.436981162 0.3102944
+C      0.67468520     -0.22510389      0.16247066
+C      2.15366008     -0.29749143     -0.02894644
+C      2.98508020     -1.24682879      0.40190847
+O      2.70713023      0.71863234     -0.86045839
+C      2.66588692      2.00850569     -0.41968039
+O      2.24711796      2.39943367      0.64468508
+H      0.39822291      0.67009621      0.73631986
+H      0.32063295     -1.11447698      0.69705054
+H      0.16572693     -0.17266416     -0.81204730
+H      2.60412995     -2.08555158      0.98165828
+H      4.05098570     -1.20161262      0.18400953
+H      3.09592097      2.64827155     -1.21489989 
+
+12
+-1260.9733045321502 8.375068 8.98016 -9.8454 -7.6963 -11.212 0.1585 -1.8285 -0.945 10.57872 1.33328 3.567139213 12.115168004 0.173565793
+C      0.89207823     -0.00936427     -0.13712114
+C      2.40243360      0.13004358     -0.27459347
+C      2.99628901     -0.67585999     -1.42582195
+O      4.18579595     -0.88602294     -1.56362545
+C      2.86675979      1.58363195     -0.44050877
+O      2.11902660      2.53799899     -0.40732798
+H      0.51982033      0.61161547      0.68685321
+H      0.61138513     -1.05327146      0.05696458
+H      0.38211221      0.32494745     -1.05133968
+H      2.93918727     -0.21915596      0.62753229
+H      2.24739017     -1.04185290     -2.17452605
+H      3.96675171      1.69482008     -0.59380560 
+
+16
+-1530.6770269227466 9.267983 10.17207 -9.8945 -7.6591 -11.73 0.7939 -0.2846 2.608 11.31354 -2.31588 9.2455492298 12.8492147184 0.063777647
+C      0.89318911      0.01408737      0.03083421
+C      2.41997173     -0.00360200      0.03549082
+C      2.95660199     -0.78642556      1.24478197
+O      2.83254464     -0.64929816     -1.18396524
+C      2.96200161      1.43864365      0.01927146
+O      4.37738448      1.47727330     -0.23116122
+H      0.51864701      0.56746430     -0.84144771
+H      0.49843277      0.47957944      0.94528603
+H      0.50907074     -1.01380139     -0.02650960
+H      2.62532831     -0.34148588      2.19566690
+H      4.05707008     -0.82240122      1.23971600
+H      2.59769272     -1.82344932      1.20107795
+H      3.75327110     -0.35562195     -1.33362149
+H      2.70720739      1.96327223      0.95721288
+H      2.50396389      1.98084730     -0.82091994
+H      4.83516243      1.24363788      0.59518698 
+
+14
+-1396.3101247031088 8.804618 9.56238 -9.6046 -7.3864 -10.912 0.9126 -1.0835 -0.109 10.14924 0.74483 3.6734076136 8.2558805792 0.13443184
+C      1.01228646      0.00384059     -0.08453347
+C      2.54150510     -0.00569634      0.05469115
+C      3.00305131     -0.74601334      1.30433900
+O      3.16078566     -0.65668259     -1.07150005
+C      3.01138887      1.45952567      0.07819645
+O      3.12485074      2.14751646      1.07160415
+H      0.69434911      0.56421825     -0.97874268
+H      0.54295405      0.47206462      0.79144026
+H      0.65101596     -1.03043925     -0.17585947
+H      2.69779690     -0.19460340      2.20203051
+H      4.09737951     -0.83385006      1.30562615
+H      2.56987017     -1.75445491      1.32486529
+H      2.69608770     -0.37906700     -1.88120134
+H      3.24228847      1.86641131     -0.94446594 
+
+14
+-1410.360654315983 8.804626 9.62718 -10.4438 -8.2205 -11.768 1.8337 -0.1143 -0.119 10.74334 0.63707 4.3736433458 13.3773330854 0.136717103
+C      0.83454904     -0.26134742     -0.06700192
+C      2.33303275     -0.00546349     -0.14452878
+C      3.05393337     -0.88551976     -1.15136164
+O      2.56273591      1.38630037     -0.58223176
+C      2.59017911      2.32646382      0.38593894
+O      2.44524923      2.15160347      1.57842726
+H      0.36151317      0.40307038      0.66719017
+H      0.65101669     -1.29950635      0.24456232
+H      0.36337010     -0.10678501     -1.04836845
+H      2.78095860     -0.10219773      0.85548396
+H      2.63339641     -0.75438170     -2.15869680
+H      2.94433805     -1.94108264     -0.86651733
+H      4.12511376     -0.64702437     -1.18587897
+H      2.77620382      3.31019044     -0.09007698 
+
+16
+-1526.2141954953781 9.27413 10.19804 -9.8514 -7.5311 -11.929 0.8654 -0.1852 2.649 11.60394 -2.38029 9.618461922 9.6613238822 0.068694006
+C      1.14516754     -0.24712140      0.23804654
+C      2.56262814      0.11802224     -0.21849518
+C      2.88436447     -0.54135707     -1.56891745
+O      4.24283296     -0.39667400     -1.97757993
+C      2.70594445      1.64357338     -0.28452208
+O      4.01985125      2.09601504     -0.68058379
+H      0.90352176      0.21045556      1.20851460
+H      1.03421406     -1.33544892      0.34392924
+H      0.39258321      0.09583021     -0.48960874
+H      3.28796575     -0.26803254      0.52255380
+H      2.19130974     -0.13412652     -2.33624800
+H      2.69533393     -1.62479462     -1.50507929
+H      4.45137345      0.55373098     -1.86391316
+H      2.42351234      2.09812850      0.68222170
+H      2.02477312      2.04845088     -1.05076764
+H      4.62896383      1.90852827      0.05604936 
+
+14
+-1391.7274107317044 8.78828 9.6253 -9.5111 -7.2798 -10.884 1.0793 -0.9139 0.004 10.02729 0.61569 3.6966673872 13.0214684682 0.081840415
+C      1.00894187      0.18412313     -0.04341513
+C      2.53840807      0.03754581     -0.09106416
+C      3.01944199     -0.58342394     -1.42173177
+O      2.64244983      0.15511932     -2.58596366
+C      3.19074218      1.38776301      0.13613767
+O      3.85726067      1.67428688      1.11475932
+H      0.67704969      0.52638876      0.94597064
+H      0.52199688     -0.78190774     -0.24678067
+H      0.64952248      0.91549519     -0.78342380
+H      2.87524577     -0.62164937      0.72572503
+H      2.65193886     -1.62541399     -1.47292988
+H      4.11868252     -0.62203656     -1.43983302
+H      1.68926284      0.02696110     -2.73103681
+H      3.01399636      2.13788842     -0.67636376 
+
+14
+-1403.0510355136691 8.747771 9.75561 -10.0163 -7.9343 -10.973 0.9036 -0.9419 -0.048 9.98191 0.75518 3.7882310482 11.7228639014 0.150887622
+C      0.96657032     -0.20351729     -0.00391636
+C      2.45792646      0.11325852     -0.05516353
+C      2.77667334      1.59311856     -0.05011226
+O      1.91699219      2.46614768      0.00653719
+C      4.23853724      2.01671989     -0.11709613
+O      4.36816093      3.41701905     -0.09450286
+H      0.80309240     -1.28912580     -0.00414025
+H      0.44284314      0.22669600     -0.86757235
+H      0.50617918      0.21714173      0.89953586
+H      2.93143519     -0.32631799     -0.95084862
+H      2.99312689     -0.34197636      0.79710158
+H      4.68390132      1.59157078     -1.03845628
+H      4.77711149      1.55480511      0.73377280
+H      3.43897990      3.74128012     -0.04380880 
+
+12
+-1263.5899073024752 8.311997 9.11269 -9.7155 -7.5238 -11.112 -0.729 -2.8423 -1.919 10.44085 2.18387 2.727258049 7.2114473124 0.216303614
+C      0.91160605     -0.22597657      0.11990730
+C      2.38160080      0.11670941     -0.08118830
+C      2.64989459      1.58749916     -0.25938211
+O      1.80261777      2.46879379     -0.23319891
+C      4.11188702      2.02013266     -0.49330776
+O      5.04972986      1.24952552     -0.53619554
+H      0.78184259     -1.30872200      0.24446605
+H      0.30939017      0.09787580     -0.73945199
+H      0.50638713      0.27588033      1.00856181
+H      2.81691880     -0.40107611     -0.95397757
+H      3.00860503     -0.22522656      0.76154890
+H      4.21969018      3.12645457     -0.61894190 
+
+16
+-1528.393616629011 9.3706 10.4731 -10.0041 -7.6941 -11.832 0.833 -0.2501 2.762 11.4321 -2.49681 9.432668901 14.0795153978 0.093342173
+C      1.22547770     -0.38919951     -0.02216663
+C      2.73944321     -0.30983870      0.18387153
+C      3.33301849      1.03346424     -0.22952573
+O      2.74751780      2.06393991      0.57286630
+C      4.85331110      1.06718865     -0.07625552
+O      5.37207452      2.38664935     -0.32579384
+H      0.83513515     -1.36621877      0.29554650
+H      0.96162147     -0.25042031     -1.08191845
+H      0.71346140      0.39062458      0.55698767
+H      3.24123042     -1.10394481     -0.39487275
+H      2.98386420     -0.48007604      1.24594753
+H      3.08827446      1.21524125     -1.30166245
+H      3.34948408      2.82928401      0.49070790
+H      5.32867564      0.31808858     -0.73387820
+H      5.12362217      0.84103229      0.96644619
+H      5.34652820      2.53874526     -1.28742005 
+
+14
+-1397.1297453296577 8.75257 9.50192 -10.2644 -8.01 -11.221 0.6722 -1.3194 -0.286 10.35192 0.9004 3.7151660984 12.0230712032 0.122521357
+C      0.91273965     -0.57740425      0.25568306
+C      2.32553690     -0.00490902      0.13881338
+C      2.36069635      1.49648919     -0.20866073
+O      1.74232098      1.76599571     -1.44862020
+C      1.75177488      2.34219713      0.88632867
+O      0.87739678      3.16346227      0.66163262
+H      0.94729857     -1.65802721      0.44955703
+H      0.35286392     -0.41573765     -0.67498699
+H      0.34678011     -0.10997333      1.07579656
+H      2.88382664     -0.53115060     -0.65006878
+H      2.89088795     -0.15481795      1.07423678
+H      3.43175946      1.80349960     -0.24007924
+H      1.10817563      2.49478502     -1.26628739
+H      2.15892216      2.18804111      1.91533522 
+
+14
+-1407.3480379139992 8.804862 9.65859 -10.5455 -8.309 -11.847 1.8484 -0.1651 -0.152 10.80346 0.65677 4.3803261912 9.4750473158 0.17090785
+C      0.16002550     -0.31451331     -0.17327016
+C      1.59572155     -0.84460355     -0.18423299
+C      2.60044318      0.27515127      0.04913805
+O      3.96661095     -0.23978140      0.12047928
+C      4.63803512     -0.30611540     -1.05145672
+O      4.22701087      0.02316891     -2.14417303
+H     -0.55903825     -1.12836105     -0.33673482
+H      0.00337337      0.43233822     -0.96575677
+H     -0.08700942      0.15962196      0.78876839
+H      1.81439556     -1.32282372     -1.15112880
+H      1.72636245     -1.61063388      0.59624987
+H      2.44190529      0.75895880      1.02285280
+H      2.54932726      1.02800915     -0.74996400
+H      5.64874656     -0.71250600     -0.84913110 
+
+14
+-1412.2619556655359 8.763725 9.86886 -10.0955 -8.0014 -11.438 0.9291 -0.0101 0.155 10.34771 0.47125 4.4371985694 12.7018449588 0.235668728
+C      0.64676261     -0.03494470      0.22569055
+C      2.02064887     -0.69418194      0.17542977
+C      3.06273041      0.15500211     -0.52445130
+O      2.87995887      1.25478886     -1.01257880
+O      4.26913497     -0.48436728     -0.54152109
+C      5.33237818      0.24969324     -1.19056179
+H     -0.07152094     -0.68627108      0.74122435
+H      0.26812122      0.16702363     -0.78487474
+H      0.68813320      0.92469140      0.75745266
+H      1.98430876     -1.66673233     -0.34130997
+H      2.39966694     -0.91704431      1.18583224
+H      5.50679726      1.20627783     -0.68069346
+H      5.07896486      0.44691409     -2.24046233
+H      6.21525478     -0.39328953     -1.11964609 
+
+16
+-1565.227522329362 10.02648 11.2563 -9.3047 -7.1823 -11.096 1.0463 0.1374 3.332 10.57431 -3.09228 8.93195144 11.5486387742 0.23844081
+C      1.29532948     -1.05235078     -0.21199393
+C      2.35644403     -0.02555774     -0.55802249
+O      3.63119886     -0.52796271     -0.13263553
+C      4.67631201      0.36350347     -0.42553509
+C      6.03165866     -0.23958601     -0.60897982
+C      5.29725390      0.34663672     -1.80408848
+H      0.30485023     -0.69382019     -0.52508221
+H      1.27155458     -1.23811840      0.87064692
+H      1.49647461     -2.00493210     -0.72151724
+H      2.15015441      0.93822676     -0.05153273
+H      2.37884227      0.17119544     -1.64699447
+H      4.60310661      1.33099697      0.08882432
+H      6.08454249     -1.32669919     -0.54891654
+H      6.89395355      0.29109971     -0.20534895
+H      5.65087252      1.28490926     -2.23310479
+H      4.88051178     -0.36514122     -2.51747898 
+
+14
+-1422.6023454309009 10.141682 10.90446 -8.6473 -6.5829 -9.394 1.0912 0.1003 1.273 8.93603 -0.77699 6.399227425 6.399227425 0.434891335
+C      1.39834396      0.18580451     -1.45567516
+C      2.64366061      0.20857916     -0.96785676
+O      3.43766332      1.32663300     -1.03908231
+C      4.65994094      1.22448698     -0.32885656
+C      5.80895946      0.47597761     -0.95509991
+C      5.80870853      1.99358901     -0.89493664
+H      0.81805249     -0.73127572     -1.39252138
+H      0.94994882      1.06284324     -1.92185307
+H      3.11133716     -0.66247444     -0.49724316
+H      4.53473926      1.18612026      0.75800238
+H      5.62545940      0.02186209     -1.92906473
+H      6.48224623     -0.07954685     -0.30175739
+H      6.48225430      2.49808029     -0.20266692
+H      5.61857551      2.52305087     -1.82847839 
+
+14
+-1451.8967572821966 9.433512 10.39413 -9.2417 -7.241 -10.526 1.2408 -0.5201 0.287 9.50127 0.42322 3.7911447192 12.0960989572 0.311856526
+C      1.01586497     -0.14967490      0.01344304
+C      1.99957276      0.64313093     -0.82304202
+O      2.05712079      0.52528657     -2.04332116
+C      2.89739105      1.57754286     -0.07799347
+C      4.30492610      1.78765339     -0.62985604
+C      3.29646884      2.87380190     -0.77845902
+H      0.36523266      0.53402597      0.58043680
+H      1.55622642     -0.75946070      0.75419910
+H      0.40804814     -0.79513981     -0.62927287
+H      2.77617930      1.61437702      1.00571603
+H      4.54289816      1.20380183     -1.51968322
+H      5.10479401      1.90369033      0.10097293
+H      3.37911017      3.76285975     -0.15381733
+H      2.85990664      3.01665485     -1.76759277 
+
+16
+-1574.8111435227756 9.886047 11.03753 -9.9498 -7.7454 -11.674 0.9719 0.021 2.903 11.31462 -2.56856 9.4550111782 11.5598099128 0.209734798
+C      1.06309270      0.24872437      0.08508762
+C      2.55844283      0.00710627     -0.12206608
+O      2.79964409     -0.77505306     -1.30996880
+C      3.35008772      1.29929117     -0.11905241
+C      3.90320406      1.83939939      1.18150206
+C      4.83526197      1.27075625      0.13747669
+H      0.87703371      0.76389324      1.03877314
+H      0.51667479     -0.70376729      0.08416543
+H      0.65682902      0.88072438     -0.72137394
+H      2.93790967     -0.63374554      0.69271732
+H      2.52202365     -0.23751452     -2.07392953
+H      2.99202151      2.04868127     -0.83426051
+H      3.73201846      1.25071191      2.08487114
+H      3.89408373      2.91824232      1.33904466
+H      5.46830260      1.96212729     -0.41913502
+H      5.28747948      0.29653256      0.32896824 
+
+12
+-1248.6823356278796 8.193195 8.96876 -9.6086 -7.5286 -10.878 0.857 -1.0342 -0.102 9.90334 0.7726 3.741401536 7.8530624638 0.188624367
+C      1.00112889     -0.25025179      0.14952706
+C      2.31817278      0.15245707     -0.46844361
+O      2.73849981     -0.31209552     -1.51976357
+C      3.16198118      1.16239624      0.26710727
+C      2.60956829      2.49256100      0.61917286
+O      2.81015710      1.49707749      1.62622560
+H      0.43025662      0.61773395      0.50708599
+H      1.20174617     -0.86998629      1.03723041
+H      0.41770107     -0.82598835     -0.57627862
+H      4.23406580      1.08978088      0.05479254
+H      1.56539070      2.72403160      0.38244222
+H      3.29525158      3.34528372      0.64900184 
+
+14
+-1377.5938438933485 8.667295 9.73067 -10.0806 -7.8257 -11.852 0.951 0.0411 2.551 11.2259 -2.26734 9.227224099 11.7301790754 0.224459962
+C      0.91708893      0.13266096      0.08052069
+C      2.41282924     -0.01204108     -0.15610728
+O      2.58646346     -0.59677833     -1.45671672
+C      3.12921300      1.31860441     -0.08845266
+C      3.91443920      1.72150514      1.08898113
+O      4.57607433      1.23738384     -0.09690909
+H      0.71859107      0.54036984      1.08119339
+H      0.42862439     -0.84685190     -0.00220688
+H      0.47237332      0.80228551     -0.66961292
+H      2.85290820     -0.67571998      0.61466018
+H      3.54668918     -0.64152689     -1.61787070
+H      2.72740076      2.10102889     -0.74565614
+H      3.96474287      1.05207569      1.95485335
+H      4.06080205      2.78540390      1.30151366 
+
+12
+-1266.4496363766068 10.071231 10.74536 -9.1554 -6.9989 -9.635 1.1288 -0.0109 1.068 9.14773 -0.56883 4.4198901238 10.7714945262 0.690274249
+C      2.87581443     -1.26388124     -0.24911131
+C      2.31534379     -0.07551482      0.02309120
+O      2.92134716      1.13966886      0.16201642
+C      4.35162257      1.13185533     -0.00881872
+C      4.86924683      2.47935019      0.15721361
+C      5.34748651      3.58538799      0.28717272
+H      2.22839236     -2.13500992     -0.32374689
+H      3.94241198     -1.41644297     -0.40145198
+H      1.23953025      0.03992303      0.17015459
+H      4.60037525      0.74785223     -1.01531479
+H      4.80755340      0.45179266      0.73407950
+H      5.75866547      4.56746866      0.40375566 
+
+14
+-1449.7542035614313 9.975122 10.55517 -9.2099 -7.1293 -9.823 0.8307 -0.9396 0.012 9.52465 0.63006 3.7156620424 6.137368993 0.275063115
+C      2.89362642     -1.19047501     -1.22245760
+C      3.04258904     -0.57653873      0.15208793
+O      2.90084784     -1.22007205      1.18020638
+C      3.41872183      0.91347668      0.19503746
+C      4.91728856      1.05958440      0.18023736
+C      5.62086706      1.64877124     -0.79356526
+H      3.75225027     -0.92492356     -1.85644518
+H      1.99668164     -0.77676667     -1.70994443
+H      2.79608505     -2.27867165     -1.14551205
+H      3.00791497      1.32023014      1.13129503
+H      2.97932478      1.44811053     -0.66077477
+H      5.43891056      0.62317708      1.03844244
+H      5.13289989      2.09690943     -1.66303895
+H      6.70877209      1.71312818     -0.74660836 
+
+12
+-1293.0125903128067 9.411495 10.1605 -9.4935 -7.3637 -10.152 1.0099 -0.8284 0.113 9.71649 0.63038 3.724787412 10.7404856276 0.699065885
+C      1.04829620      0.03864430      0.27817055
+C      2.38273207      0.01279606     -0.42034978
+O      2.66771773     -0.79493046     -1.28742430
+C      3.41998302      1.09697296     -0.03483734
+C      3.30226093      1.67458407      1.29336000
+C      3.20254266      2.14371122      2.40857663
+H      0.61025339      1.04704831      0.23759311
+H      1.19059285     -0.18699906      1.34569233
+H      0.37498174     -0.69500811     -0.17666396
+H      3.31207139      1.89008540     -0.79687309
+H      4.41636614      0.65805070     -0.19287909
+H      3.11996188      2.55731460      3.39295493 
+
+16
+-1577.8427581262424 10.388638 11.10998 -9.4844 -7.2629 -9.335 0.8827 -0.1219 1.309 8.72407 -0.68752 6.4182220802 6.4182220802 0.377059576
+C      0.91883241     -0.09059187     -0.09976634
+C      2.43149838      0.09080459      0.05229582
+O      3.15139530     -0.81288746     -0.81170979
+C      2.87263610      1.53559889     -0.14143455
+C      2.80388845      2.10086395     -1.53497367
+C      3.30246565      2.25566321      0.90462319
+H      0.37473757      0.55281114      0.60595872
+H      0.64710650     -1.13743673      0.09375841
+H      0.58440933      0.16928397     -1.11695001
+H      2.72452225     -0.21723883      1.06845587
+H      2.74964764     -0.75843942     -1.69716223
+H      3.45688665      1.53459435     -2.21823381
+H      3.12810293      3.14921965     -1.55267879
+H      1.78273730      2.05579621     -1.94712429
+H      3.36823049      1.82052518      1.90440813
+H      3.60191305      3.30043317      0.79810334 
+
+16
+-1577.138145831738 10.377675 11.05762 -9.7789 -7.559 -9.656 1.2476 -0.2859 1.19 9.12818 -0.63927 6.6399586426 6.6399586426 0.435727878
+C      0.89274475     -0.18028032      0.07908053
+C      2.41276660     -0.02405143      0.01081365
+O      2.97866854     -0.83922987     -1.02363264
+C      2.88045231      1.44679190     -0.13273570
+C      2.44151632      2.07564060     -1.42311286
+C      3.23870969      2.25894066     -2.48544622
+H      0.47444362      0.37851866      0.93017522
+H      0.63516500     -1.24085457      0.20073445
+H      0.40908168      0.18031649     -0.84105251
+H      2.85044434     -0.41774295      0.94295522
+H      2.81001946     -0.37791431     -1.86867768
+H      3.97928837      1.45603675     -0.07033283
+H      2.49031527      2.02220373      0.72327211
+H      1.38857001      2.36867341     -1.50052981
+H      4.29876883      1.99293214     -2.45153990
+H      2.86580521      2.69656912     -3.41292101 
+
+14
+-1419.7784345880846 10.026408 11.07399 -9.9459 -7.5655 -9.859 0.8343 -0.1912 2.289 9.45739 -1.94268 4.3815288554 10.6227609206 0.365402155
+C      0.89769740      0.06987857      0.16993725
+C      2.41267424      0.00779021     -0.01382227
+O      2.77317852     -0.68748658     -1.21101368
+C      3.03671156      1.42331002      0.04259675
+C      4.49157558      1.43677688     -0.01281499
+C      5.70455281      1.44360024     -0.04764180
+H      0.62871051      0.50579349      1.14333309
+H      0.47237974     -0.94042118      0.11182756
+H      0.43089921      0.68599083     -0.61602167
+H      2.85841270     -0.59634235      0.79215450
+H      2.40462878     -0.19329330     -1.96641408
+H      2.70237625      1.91969351      0.96967467
+H      2.62671577      2.02424276     -0.79006432
+H      6.77454694      1.44399688     -0.08343102 
+
+16
+-1574.124770538479 10.648606 11.69175 -8.3437 -6.3042 -8.991 0.9766 0.0761 1.307 8.54991 -0.76069 6.0879853692 6.0879853692 0.330692347
+C      1.26192949     -0.28488538      0.18628624
+C      2.74938498     -0.45449794     -0.05162935
+O      3.37222091      0.83351129      0.07625420
+C      4.72603610      0.87450652     -0.10527273
+C      5.56814472     -0.13482076     -0.38605045
+C      7.04477905      0.07505652     -0.55626067
+H      0.75613941     -1.25531893      0.08827040
+H      0.82547902      0.40868668     -0.54528530
+H      1.06893284      0.10611389      1.19451013
+H      2.95092506     -0.85469870     -1.06188786
+H      3.19629813     -1.14769324      0.68391095
+H      5.08363334      1.90137322      0.01142793
+H      5.19393212     -1.15448883     -0.49902204
+H      7.31602671      1.13361218     -0.43373031
+H      7.38764574     -0.24410384     -1.55376736
+H      7.62492239     -0.50552267      0.17933623 
+
+18
+-1714.670772052761 10.661233 11.86605 -9.3649 -7.2832 -11.394 0.9938 0.0594 3.155 10.67707 -2.87961 9.1941942286 12.704783427 0.135214698
+C      1.40611535      2.61752435     -1.41142184
+C      2.57869229      2.42156644     -0.46733392
+O      3.70360053      1.98502978     -1.22860174
+C      4.85387869      1.64065052     -0.43561786
+C      5.74351593      0.77483203     -1.31872055
+C      5.58779198      2.88119613      0.08009190
+H      0.52078458      2.95173387     -0.85226543
+H      1.15975801      1.67865212     -1.92645720
+H      1.64236154      3.37584815     -2.17079162
+H      2.33484709      1.66255586      0.30446452
+H      2.80095512      3.36861750      0.06217410
+H      4.50959280      1.03946269      0.43199366
+H      6.06222549      1.34002877     -2.20695647
+H      5.20068689     -0.11857002     -1.65485586
+H      6.64084536      0.45624017     -0.77012792
+H      5.93666579      3.49391895     -0.76456011
+H      6.46173526      2.58600993      0.67935142
+H      4.94426729      3.50325275      0.71768493 
+
+16
+-1577.7168316802208 10.574179 11.4644 -8.5289 -6.5006 -9.116 0.9508 0.0446 1.331 8.53941 -0.77517 6.216410068 6.216410068 0.346345774
+C      1.49561553      0.44393955     -0.77960804
+C      2.78938820     -0.11986318     -0.22590479
+O      3.86388737      0.73574718     -0.64771959
+C      5.13156092      0.38864771     -0.25573299
+C      6.12224609      1.38470890     -0.78102058
+C      5.45434032     -0.68470762      0.49128435
+H      0.65216414     -0.19101035     -0.47467197
+H      1.52214608      0.47945047     -1.87717799
+H      1.31724494      1.46005057     -0.40242107
+H      2.97260198     -1.14328878     -0.59978629
+H      2.76968627     -0.15994653      0.87816390
+H      5.89741880      2.39031160     -0.39491520
+H      6.06839488      1.43755845     -1.87868015
+H      7.14175973      1.11109121     -0.48733246
+H      4.72388470     -1.39727668      0.86671310
+H      6.49933005     -0.85809250      0.73891977 
+
+16
+-1566.3883305137563 10.764245 11.78801 -9.5756 -7.3725 -9.693 1.6172 -0.0469 1.319 9.17391 -0.77659 6.7729460262 6.7729460262 0.447635572
+C      1.20651053     -0.56067498     -0.01505158
+C      2.72330607     -0.57888359     -0.01213218
+O      3.19829312      0.75833070     -0.16729724
+C      4.62473107      0.82086344     -0.17271740
+C      5.05607300      2.23123944     -0.42857320
+C      5.93673464      2.89724852      0.32449198
+H      0.81555420     -1.58094886      0.10386680
+H      0.82389316     -0.15040302     -0.95967888
+H      0.82409679      0.05572785      0.80992979
+H      3.11020878     -1.21279097     -0.83663327
+H      3.10657150     -1.00635849      0.93693845
+H      5.01913930      0.15872675     -0.97411440
+H      5.03719940      0.45539963      0.78941749
+H      4.61378591      2.70554791     -1.31055911
+H      6.38184929      2.44707088      1.21550377
+H      6.24878325      3.91227480      0.07481898 
+
+14
+-1407.6366495393077 10.246593 11.43295 -9.8449 -7.537 -9.873 1.0147 -0.0598 2.31 9.76299 -1.90815 4.4147323062 11.035497916 0.450430494
+C      0.91787699     -0.02269960      0.00677008
+C      2.43388128     -0.03971760      0.00283447
+O      2.90233141      1.31166627      0.00784141
+C      4.32817745      1.36210308      0.00442909
+C      4.78738729      2.74415758      0.01026185
+C      5.20417138      3.88281331      0.01448392
+H      0.52953311     -1.05057303      0.00327399
+H      0.53365370      0.49767887     -0.88098715
+H      0.53821909      0.48989390      0.90099913
+H      2.81901985     -0.56647750     -0.89387746
+H      2.82356035     -0.57462823      0.89273460
+H      4.73075048      0.84419787     -0.89078113
+H      4.73530711      0.83511145      0.89224549
+H      5.56548050      4.89087362      0.01828170 
+
+16
+-1519.3497763232444 9.529746 10.62711 -9.9549 -7.7133 -11.754 0.9646 0.0051 3.105 11.05112 -2.88602 9.385802193 12.5836615036 0.124383767
+C      1.04322773     -0.01158051      0.09059207
+C      2.55704389     -0.09042385      0.04060599
+O      3.08507492      1.23484496     -0.04146827
+C      4.51233312      1.25803377     -0.05778826
+C      4.94275585      2.71320479     -0.02767383
+O      4.50906468      3.37828807      1.15855059
+H      0.61341069     -1.02184571      0.13536839
+H      0.65110366      0.49289947     -0.80323511
+H      0.71087275      0.54506566      0.97782546
+H      2.89040568     -0.67701527     -0.83893925
+H      2.95539813     -0.59462143      0.94366991
+H      4.90105524      0.76151819     -0.96996648
+H      4.91088450      0.72616371      0.82862206
+H      4.56041929      3.22383800     -0.93200831
+H      6.04110591      2.77148139     -0.04039248
+H      3.55201395      3.20296875      1.22478750 
+
+12
+-1243.2230024745666 8.865611 9.42978 -9.4379 -7.2238 -9.924 0.7952 -1.3174 -0.12 10.22934 0.7285 3.6581821328 12.5548595558 0.365615825
+C      3.05822523     -1.47512312      1.02837272
+C      2.42045067     -0.52438577      0.33056099
+O      2.95841445      0.57067378     -0.28565781
+C      4.37091571      0.72340917     -0.17628282
+C      4.76477125      1.98754206     -0.91493919
+O      5.91131580      2.38000258     -0.98325056
+H      2.47031926     -2.28428291      1.45619365
+H      4.13345912     -1.48815096      1.19526162
+H      1.33959410     -0.53464562      0.17794557
+H      4.90254382     -0.13845746     -0.62054975
+H      4.68527510      0.80605035      0.88058160
+H      3.91305550      2.53212790     -1.39471603 
+
+14
+-1403.1359585876505 8.775031 9.6916 -9.7024 -7.5791 -10.808 0.929 -0.9391 0.01 9.8714 0.69765 3.738239893 12.0952310552 0.198949658
+C      1.54862352     -0.82605576     -0.44147743
+C      3.02966908     -0.55301070     -0.30297189
+O      3.86075057     -1.44821554     -0.42871258
+C      3.44210579      0.87803113      0.00676154
+C      4.94300343      1.12701627     -0.15754908
+O      5.72919771      0.34597443      0.73660075
+H      0.99244589     -0.39597129      0.40437487
+H      1.36523854     -1.90394601     -0.50829743
+H      1.16966958     -0.33418540     -1.35116782
+H      3.13820405      1.08620876      1.04861384
+H      2.85496387      1.56905199     -0.62277001
+H      5.16981274      2.18064084      0.06271234
+H      5.23066942      0.93731941     -1.20960801
+H      5.52912580     -0.58127812      0.49570091 
+
+12
+-1272.097316453989 8.282764 9.07417 -9.3521 -7.2451 -10.885 -0.5463 -2.5333 -1.627 10.52908 1.92209 2.8410400012 12.491031563 0.343296343
+C      1.01744888     -0.30295242      0.35552778
+C      2.21372766      0.04036210     -0.48832541
+O      2.80132288     -0.75530453     -1.20562551
+C      2.70889987      1.51793693     -0.41530711
+C      3.90260070      1.86227845     -1.26238965
+O      2.12403803      2.31251913      0.30543379
+H      0.16808317      0.33993549      0.08259529
+H      1.22800519     -0.08382009      1.41239109
+H      0.76099745     -1.35860687      0.22382824
+H      3.69124760      1.63923257     -2.31823725
+H      4.75424342      1.22271568     -0.98861074
+H      4.15642516      2.91897356     -1.13398052 
+
+12
+-1268.1257942963516 8.457415 9.09329 -9.6625 -7.5667 -11.04 0.4598 -1.5224 -0.715 10.40172 1.01308 3.6343644222 12.1299471352 0.190738627
+C      0.87120198     -0.16976136      0.41580326
+C      2.06127412     -0.19359672     -0.51240020
+O      2.36274086     -1.16367357     -1.19018990
+C      2.93485621      1.06722560     -0.53624123
+C      4.30010157      0.75470186      0.05984507
+O      4.81478005      1.40213145      0.94921800
+H      1.19789188      0.07318883      1.43892921
+H      0.35824866     -1.13722359      0.40138977
+H      0.17562162      0.62789158      0.11239286
+H      2.49300600      1.92191278     -0.00974605
+H      3.09911352      1.31666179     -1.59706513
+H      4.79982352     -0.13919865     -0.38584566 
+
+16
+-1528.810156347953 9.315659 10.29004 -9.8826 -7.5458 -11.909 0.844 -0.1751 2.707 11.53255 -2.44439 9.5955617078 9.5955617078 0.075307794
+C      1.20658852     -0.83102891      0.40604860
+C      2.56052205     -0.23215306      0.04400688
+O      3.20736388     -1.01650517     -0.99631439
+C      2.47917662      1.24913324     -0.34144614
+C      3.84096324      1.88738515     -0.62775013
+O      4.47719259      1.37126027     -1.79594409
+H      0.76310515     -0.30835140      1.26568040
+H      1.31208902     -1.89399416      0.66159355
+H      0.50148472     -0.74221228     -0.43662467
+H      3.24626912     -0.33703682      0.90228007
+H      2.57321242     -1.09352192     -1.73387812
+H      1.99850800      1.79761467      0.48700640
+H      1.82627903      1.36558928     -1.22523636
+H      4.49208314      1.76666581      0.26317791
+H      3.71867315      2.96854911     -0.79447602
+H      4.40652935      0.39662618     -1.71873390 
+
+16
+-1531.4339086777845 9.304405 10.26249 -9.902 -7.6095 -11.677 0.8539 -0.1704 2.653 11.34072 -2.37785 9.270185248 10.812633081 0.077791875
+C      0.97437092     -0.12630901     -0.10166606
+C      2.46552445      0.05038247      0.15102997
+O      3.25371323     -0.68190564     -0.81889970
+C      2.93624995      1.51581134      0.16671485
+C      2.35971940      2.33292637      1.31377864
+O      4.36146246      1.55350858      0.28009205
+H      0.37513278      0.30722984      0.71073592
+H      0.72979338     -1.19464728     -0.17286135
+H      0.67101664      0.36467639     -1.04138040
+H      2.74581123     -0.40395923      1.11658023
+H      2.89800256     -0.46968245     -1.70210780
+H      2.62539412      1.97721361     -0.79908717
+H      2.56866970      1.84642912      2.27820528
+H      1.27502112      2.46862819      1.20760661
+H      2.82834568      3.32593491      1.32596543
+H      4.67801237      0.79901279     -0.25681648 
+
+14
+-1401.057114207995 8.743966 9.64317 -9.2309 -7.1046 -10.663 1.0216 -0.7666 0.121 9.77942 0.59245 3.738983809 11.9558831898 0.094865312
+C      0.93197297     -0.27787247      0.17765061
+C      2.37657771      0.05269390     -0.18643257
+O      2.85183092     -0.69430403     -1.31315978
+C      2.59009487      1.57838196     -0.32631963
+C      3.37609191      2.07134633     -1.51755920
+O      2.15374930      2.33075595      0.53333402
+H      0.61579871      0.31778666      1.04278389
+H      0.83400856     -1.34535171      0.41330670
+H      0.25665324     -0.03838286     -0.65995912
+H      3.03485506     -0.24489107      0.64998286
+H      2.12731516     -0.74666286     -1.96160492
+H      4.32565191      1.52518620     -1.60469263
+H      3.54641982      3.14877448     -1.42297210
+H      2.82515987      1.86273951     -2.44752814 
+
+14
+-1395.43644363325 8.926742 9.86761 -9.5418 -7.288 -10.876 1.2051 -0.8318 0.049 10.01193 0.56131 3.6725769074 8.2923820576 0.130784415
+C      1.07608974     -0.36739507      0.57872848
+C      2.17094554     -0.15096969     -0.46209424
+O      1.97215591     -0.97926569     -1.62329154
+C      2.19920757      1.29796029     -0.96799924
+C      3.34740769      1.57284656     -1.91166601
+O      4.14496805      2.48312704     -1.76762005
+H      1.24284396      0.26486597      1.46286263
+H      1.06292305     -1.41488220      0.91609144
+H      0.09071845     -0.12884798      0.15327725
+H      3.15416928     -0.38255584     -0.00601280
+H      2.00173162     -1.90787683     -1.33591846
+H      2.25618223      2.00358933     -0.12798545
+H      1.25783705      1.47635563     -1.51918695
+H      3.42737987      0.87023847     -2.77731507 
+
+14
+-1414.6765947585857 8.77953 9.74688 -10.075 -7.9743 -11.409 1.1372 0.0016 0.154 10.32375 0.4535 4.4209564034 12.2882648586 0.252027792
+C      2.58204900     -0.16949817      0.51440216
+C      3.91446502     -0.87546583      0.69198460
+O      4.64463917     -0.95629746     -0.56797614
+C      5.45016985      0.10628121     -0.86014590
+C      6.14918829     -0.10951570     -2.17987641
+O      5.58466285      1.08008103     -0.14163063
+H      2.02150979     -0.19614505      1.46009204
+H      1.97573570     -0.66300181     -0.25766023
+H      2.73119548      0.88172582      0.23531264
+H      3.78015856     -1.92363255      0.99093678
+H      4.54516786     -0.35939764      1.42841518
+H      5.41627833     -0.31394787     -2.97141915
+H      6.80914254     -0.98531739     -2.11236789
+H      6.73701755      0.77869141     -2.42857705 
+
+14
+-1384.6608683423353 9.056228 10.15119 -9.9421 -7.6371 -11.015 1.0344 -1.081 -0.035 10.15714 0.63489 3.6673570968 14.0758330136 0.237132724
+C      0.55294736     -1.69496278      0.06299991
+C      1.69705582     -0.70585934      0.16832430
+O      1.15378368      0.61580501      0.24055079
+C      2.15660138      1.60797208      0.33710950
+C      1.48926026      2.96787503      0.40974074
+O      2.10401636      4.01203195      0.49647264
+H      0.94455860     -2.72012202      0.01094753
+H     -0.04326453     -1.50470956     -0.83987556
+H     -0.10731508     -1.61964599      0.93776325
+H      2.36815978     -0.78339654     -0.71029883
+H      2.30962756     -0.90489966      1.07033670
+H      2.84003037      1.59694976     -0.53709628
+H      2.78663710      1.47807770      1.24153437
+H      0.37019134      2.93234436      0.37930094 
+
+16
+-1513.771328875312 9.457555 10.47379 -10.0328 -7.8422 -11.857 1.0252 0.1018 3.325 11.19365 -3.16127 9.5958220784 12.4549144412 0.10308227
+C      0.65381928      0.03713500     -0.60798256
+C      2.15116935     -0.16893918     -0.49064143
+O      2.74280064      1.05574260     -0.01942256
+C      4.14533455      0.97653681      0.11548536
+O      4.58618911      0.15301215      1.17712872
+C      4.26961615      0.69632550      2.46188094
+H      0.17515137     -0.88023158     -0.97825784
+H      0.42392228      0.85492964     -1.30465972
+H      0.21713686      0.28312700      0.36989126
+H      2.59365436     -0.42746951     -1.47288009
+H      2.38445327     -0.99070553      0.20801345
+H      4.47825834      2.01950453      0.26630022
+H      4.60678552      0.54389171     -0.79040360
+H      4.69748005      0.01494578      3.20680196
+H      3.18115780      0.77287541      2.61406105
+H      4.71732107      1.69946966      2.58555484 
+
+12
+-1269.9633383712257 9.080688 9.55449 -9.5342 -7.3584 -9.83 1.2145 -0.6133 -0.007 10.40285 0.6571 4.400139154 6.6543782144 0.404882456
+C      0.18082475     -0.93647091     -0.44305555
+C      1.06135554      0.22119986     -0.06276958
+O      2.15248657      0.47919865     -0.52321352
+O      0.43995222      0.98064382      0.91957982
+C      1.12453384      2.09703039      1.38298962
+C      0.59628152      2.85367871      2.34499874
+H     -0.78787209     -0.56867507     -0.80707195
+H     -0.01821383     -1.56194173      0.43753875
+H      0.67473528     -1.52730802     -1.21934474
+H      2.08510356      2.26900360      0.89759711
+H     -0.37057471      2.62632417      2.79253554
+H      1.14449735      3.72561655      2.69510576 
+
+16
+-1563.7967591643305 10.038038 11.27737 -9.3233 -7.1527 -10.989 1.0065 0.1324 3.264 10.57114 -3.01322 8.8300597452 11.0419823838 0.145781524
+C      2.44532929     -0.87485395     -0.83578348
+O      2.05489743      0.31239270     -0.14832403
+C      3.13937368      1.18520021      0.04441608
+C      3.54805500      2.12092199     -1.07463246
+C      2.82663458      2.64327978      0.15972380
+C      3.53912029      3.51280003      1.17040327
+H      1.54350672     -1.48976022     -0.94740909
+H      3.20118048     -1.44287734     -0.26201013
+H      2.85989003     -0.64592412     -1.83415847
+H      3.93624440      0.77840624      0.68302125
+H      2.97249267      2.06239379     -1.99922876
+H      4.60725089      2.35526075     -1.19809369
+H      1.77121308      2.87691769     -0.00358324
+H      4.58540520      3.19746547      1.29791559
+H      3.05105279      3.46113771      2.15543029
+H      3.54822347      4.56609927      0.85142309 
+
+14
+-1368.0659246004875 8.876259 9.91868 -9.4112 -7.1859 -11.096 0.9869 0.024 3.233 10.73038 -3.12322 8.8793565788 11.0382380066 0.222167699
+C      2.40871985     -0.89630157     -0.91758723
+O      2.02685730      0.28581169     -0.21414451
+C      3.12833812      1.10907109      0.05821977
+C      3.64477996      2.06630648     -1.00738600
+C      2.86431854      2.56497418      0.19847222
+O      3.52676064      3.22592785      1.25283757
+H      1.49032966     -1.46899560     -1.09610180
+H      3.10843285     -1.51022594     -0.32156936
+H      2.88529265     -0.65452980     -1.88441261
+H      3.87899407      0.68348549      0.73654503
+H      3.13043052      2.08453648     -1.96911536
+H      4.71940961      2.25086071     -1.03235375
+H      1.83088266      2.87795145      0.01272107
+H      3.73406357      4.12761749      0.94926496 
+
+16
+-1566.8279864899341 9.902529 10.9429 -9.4325 -7.247 -11.249 0.9923 0.0825 3.074 10.66141 -2.84529 9.0863636044 11.371747948 0.149673817
+C      2.02438812     -0.45938229     -1.26938166
+O      2.23883220      0.09767229      0.02191526
+C      3.03085144      1.26947116     -0.02626240
+C      2.39949964      2.60248319     -0.52495042
+C      3.14375519      3.31091366      0.64121506
+C      3.28423446      1.92995580      1.34090400
+H      1.41962303     -1.36497099     -1.13420240
+H      2.98103224     -0.73208460     -1.75507822
+H      1.48106178      0.23898482     -1.93225679
+H      3.98114893      1.06286700     -0.56040653
+H      1.31290662      2.58653445     -0.35271491
+H      2.60459431      2.93231120     -1.55243375
+H      4.11747450      3.70859451      0.32227748
+H      2.60267187      4.09866904      1.18064604
+H      4.22031441      1.69228631      1.86303715
+H      2.43322125      1.72934446      2.00761208 
+
+16
+-1564.6174356352153 9.87793 10.90914 -9.3879 -7.2449 -10.908 0.9778 0.075 3.041 10.55704 -2.69319 8.6312729914 10.945856038 0.191593266
+C      2.02584017     -0.69420791     -1.23378961
+O      1.71236263      0.39961791     -0.37303726
+C      2.85442918      1.10777309      0.08251848
+C      3.71217688      0.36974788      1.08702442
+C      3.48577815      2.07450553     -0.89624621
+C      2.61277758      2.57940322      0.24309126
+H      2.63808598     -0.36964832     -2.09425482
+H      1.06846370     -1.08593741     -1.60042273
+H      2.55840394     -1.50363500     -0.70424933
+H      4.52197439      1.01647043      1.45112029
+H      4.17725632     -0.52603109      0.64871671
+H      3.10399179      0.05871641      1.94954680
+H      3.05584565      2.11876499     -1.89736960
+H      4.56286358      2.24121136     -0.84637493
+H      3.08650880      3.09170025      1.08130789
+H      1.61768126      2.93671865     -0.02124136 
+
+14
+-1364.4044501554235 8.672904 9.59412 -9.6477 -7.3421 -11.437 0.9243 -0.0347 2.877 10.98527 -2.61964 9.0323677014 14.383057923 0.138039913
+C      2.02138762     -0.51562860     -1.23964948
+O      2.22062149      0.08818488      0.03552339
+C      3.02189251      1.24782561     -0.03985534
+C      2.36157042      2.58126129     -0.46992506
+O      2.81997305      3.22763135      0.75349834
+C      3.22336156      1.94169767      1.31273159
+H      1.42646034     -1.42223462     -1.07422287
+H      2.98432020     -0.79315265     -1.70797424
+H      1.47260961      0.15182799     -1.92898125
+H      3.96315569      1.03599036     -0.58102957
+H      1.25952348      2.51610192     -0.51338350
+H      2.74996891      3.08783736     -1.36700221
+H      4.24242488      1.97391956      1.72618682
+H      2.51237025      1.57930788      2.07485338 
+
+16
+-1562.8580885102695 10.066758 11.3056 -9.6433 -7.3936 -11.403 1.0255 0.1169 3.205 10.88833 -2.89344 9.2787898764 11.822871009 0.214813439
+C      1.25908997     -0.18920777     -0.33767738
+O      2.66872953     -0.03150745     -0.34385138
+C      3.05782168      1.25379175      0.14163800
+C      4.55696130      1.35383998      0.15861915
+C      5.29978246      1.71788881     -1.10406367
+C      5.20263014      2.71475387      0.02606137
+H      1.04365062     -1.19792578     -0.71280453
+H      0.76200805      0.55229274     -0.99337590
+H      0.83991818     -0.08638268      0.68239467
+H      2.64708984      1.40615225      1.16192605
+H      2.63215612      2.04977732     -0.50620958
+H      5.05043996      0.64340830      0.82607414
+H      4.70449806      1.90141431     -1.99980986
+H      6.26066037      1.23751122     -1.28827119
+H      6.09418407      2.91652480      0.61995591
+H      4.54760966      3.57711832     -0.11054580 
+
+14
+-1363.1076750295294 8.822358 9.95609 -10.0195 -7.7111 -11.779 0.999 0.0561 2.854 11.18989 -2.57724 9.2740660098 11.2467948572 0.192529331
+C      1.62090770     -0.57027347     -0.36067205
+O      2.98460208     -0.17199315     -0.32671659
+C      3.12432365      1.20437668      0.00761571
+C      4.59649183      1.51594662      0.11647934
+C      5.34675048      2.07541601     -1.01738589
+O      4.93482621      2.91565505      0.08167219
+H      1.60297086     -1.63574795     -0.62164571
+H      1.05085479     -0.00223284     -1.11999419
+H      1.13311179     -0.42923393      0.62241281
+H      2.62403413      1.41932418      0.97403923
+H      2.66233700      1.85483128     -0.76182413
+H      5.14527887      0.93027981      0.86388414
+H      4.82487971      2.25625267     -1.96321322
+H      6.42489092      1.90058903     -1.08938163 
+
+16
+-1572.3888613161696 10.93977 11.66366 -8.0752 -5.9854 -8.61 0.9184 0.0403 1.441 8.12495 -0.83252 5.8635335134 5.8635335134 0.321832911
+C      1.19006051     -0.11473614     -0.59199067
+O      2.55084518     -0.15652783     -0.16379480
+C      3.16906676      1.07345304     -0.13945958
+C      4.50260584      1.21546896     -0.04241425
+C      5.43847073      0.04056155      0.00126861
+C      5.11293081      2.58642557      0.04405324
+H      0.79790179     -1.13356320     -0.49108888
+H      1.10969002      0.20391335     -1.64532640
+H      0.59285425      0.56655664      0.03895476
+H      2.49545225      1.93811955     -0.17117157
+H      4.90220858     -0.91070549     -0.09660050
+H      6.00320364      0.02335703      0.94892841
+H      6.18580719      0.10623367     -0.80756346
+H      4.35456082      3.38033289     -0.00735222
+H      5.83505571      2.75158683     -0.77381119
+H      5.67271593      2.71467358      0.98649853 
+
+14
+-1431.496865670747 11.455183 11.18877 -7.9438 -6.0549 -8.324 1.1779 -0.4514 0.229 7.89367 0.30052 4.9516164834 4.9516164834 0.727892595
+C      3.52115627     -1.11532536     -0.28664533
+O      2.54989520     -0.08906284     -0.05562710
+C      3.02243480      1.18060557      0.04218092
+C      4.30346812      1.60841984     -0.05140826
+C      4.65035941      3.00829139      0.07541051
+C      5.89941485      3.50896922     -0.00782600
+H      2.96097124     -2.05510667     -0.33740666
+H      4.24938177     -1.15883157      0.53904847
+H      4.05255355     -0.94565594     -1.23677171
+H      2.19717493      1.87526665      0.21770332
+H      5.11705712      0.90109777     -0.22716237
+H      3.81779255      3.69911858      0.25256132
+H      6.76222188      2.86220165     -0.18340005
+H      6.09041830      4.57641171      0.09706295 
+
+12
+-1271.908949343122 11.097975 11.17147 -8.3021 -6.2452 -8.484 0.9548 -0.6307 0.474 8.12239 0.03721 4.0692577158 5.7788262782 0.384108507
+C      0.98584293      0.04293255     -0.57783880
+O      2.38309204     -0.04898544     -0.26617119
+C      3.04441667      1.13624424     -0.25550184
+C      4.37100792      1.19906405      0.00077764
+C      5.08840135      2.41434889      0.02546313
+C      5.74397902      3.44175421      0.05889871
+H      0.59218440     -0.97791802     -0.52609853
+H      0.83462250      0.44302976     -1.59289183
+H      0.45961231      0.67576012      0.15427468
+H      2.45112393      2.03332147     -0.46127665
+H      4.91287060      0.26994564      0.19836270
+H      6.30969634      4.34993251      0.08425199 
+
+14
+-1431.4569187051127 10.97679 10.92058 -8.4949 -6.4778 -8.558 0.8 -0.7895 0.28 8.01812 0.19885 5.2156198732 5.2156198732 0.713588742
+C      2.61883825      0.14489524     -1.49668513
+O      3.77780963      0.77970984     -0.95886053
+C      3.56689064      1.75273171     -0.01870476
+C      2.35466001      2.15302208      0.43244277
+C      4.81183692      2.34510806      0.47603856
+C      6.04619988      1.99759470      0.07732494
+H      2.98709541     -0.59229780     -2.21919602
+H      1.96864550      0.87286113     -2.00934214
+H      2.04299993     -0.36592757     -0.70733049
+H      1.41459180      1.73272517      0.08475141
+H      2.30802125      2.93794824      1.18402119
+H      4.67625585      3.12666161      1.22757173
+H      6.19981505      1.21995820     -0.67107725
+H      6.92708987      2.48543939      0.49387571 
+
+12
+-1269.9566109582527 10.324995 10.66041 -8.8127 -6.7564 -8.839 0.9049 -0.7477 0.445 8.349 0.03751 4.1955994498 11.2240434262 0.593792798
+C      1.08035139     -0.12436030     -0.21284437
+O      2.50736967     -0.05263453     -0.20009535
+C      3.04484560      1.19511200      0.00282800
+C      2.35493269      2.34294140      0.18847258
+C      4.47335758      1.15626828     -0.00218018
+C      5.68780143      1.12781881     -0.00574103
+H      0.83766270     -1.17857190     -0.38469689
+H      0.65950341      0.49192224     -1.02433299
+H      0.65815289      0.20281121      0.75158521
+H      1.26860699      2.38260778      0.19407991
+H      2.90470077      3.26800418      0.33910459
+H      6.75831489      1.10182084     -0.00901948 
+
+16
+-1570.3888616357845 10.69863 11.42323 -8.331 -6.198 -8.698 0.8888 -0.0207 1.419 8.19456 -0.81279 5.9077717182 5.9077717182 0.266452564
+C      1.16156263      0.10793200     -0.78818814
+O      2.31000198      0.21396951      0.05632209
+C      3.01178875      1.41656103      0.00251331
+C      2.19091595      2.67320552      0.03409224
+C      4.35446357      1.32941962      0.01803436
+C      5.34398250      2.45054684      0.10199421
+H      0.79488802     -0.91887904     -0.66906025
+H      1.42433955      0.27523773     -1.84742009
+H      0.35862629      0.80586958     -0.49823393
+H      1.47747082      2.64606365      0.87284891
+H      1.60834302      2.81209373     -0.88960341
+H      2.82780026      3.55606791      0.15676819
+H      4.76285671      0.31459832     -0.00668556
+H      4.87211782      3.44080945      0.14433022
+H      6.02202992      2.44563255     -0.76714458
+H      5.98293220      2.34902157      0.99483244 
+
+18
+-1712.018301264004 10.443657 11.43725 -9.3732 -7.2854 -11.427 0.9269 -0.0114 2.876 10.68246 -2.55434 9.0293796388 11.595356699 0.115629617
+C      0.97584034     -0.05629483     -0.01697652
+O      2.38476611      0.12521572     -0.00734197
+C      2.87046357      1.49656264     -0.01873047
+C      2.42643861      2.22718087     -1.29461820
+C      2.40936730      2.25383618      1.23540922
+C      4.39226833      1.32985997     -0.00671582
+H      0.81151130     -1.14196339     -0.00418479
+H      0.49801612      0.35461940     -0.92435352
+H      0.48258738      0.37806739      0.87100332
+H      2.71470524      1.64982366     -2.18480487
+H      2.90699989      3.21435767     -1.35281702
+H      1.33961779      2.39034370     -1.31952624
+H      2.68603662      1.69555877      2.14129346
+H      1.32225776      2.41679727      1.24249729
+H      2.88876710      3.24232837      1.27905256
+H      4.70570869      0.77976722      0.89140545
+H      4.89183980      2.30842121     -0.01331324
+H      4.71776805      0.76161816     -0.88911862 
+
+16
+-1566.409020509423 10.502924 11.24617 -9.5813 -7.4587 -9.727 1.496 -0.1378 1.219 9.17728 -0.6629 6.7136807182 6.7136807182 0.419182995
+C      3.45470475     -0.88123486      0.65177222
+O      2.97446348      0.31784612      1.25056697
+C      3.09794240      1.46903634      0.39172106
+C      2.26540579      2.57467852      1.03211687
+C      4.54141160      1.87213538      0.23321020
+C      5.19589837      1.92252668     -0.93177407
+H      3.28553121     -1.68465812      1.37990959
+H      4.53150418     -0.82794916      0.41392627
+H      2.90098662     -1.11496055     -0.27772091
+H      2.68272019      1.21842559     -0.60685881
+H      2.66160448      2.82103404      2.02767910
+H      1.22379234      2.24504245      1.14529515
+H      2.28945703      3.48038346      0.41180488
+H      5.05574210      2.12903955      1.16677931
+H      4.70101514      1.66375980     -1.87202349
+H      6.24084031      2.23129475     -0.99169432 
+
+14
+-1405.9414398098374 10.085565 11.07029 -9.7694 -7.5279 -9.81 0.9475 -0.0405 2.322 9.66444 -1.8974 4.3938530638 10.930481774 0.289399533
+C      1.13055877     -0.26917114     -0.15139530
+O      2.46068062     -0.02289885      0.28941636
+C      2.90921620      1.31363247     -0.00256221
+C      2.33954128      2.35041015      0.97739364
+C      4.37266910      1.30945495      0.02110060
+C      5.58470222      1.34812985      0.04165228
+H      0.93544799     -1.33303146      0.03267316
+H      1.01945703     -0.06593886     -1.23343976
+H      0.38102609      0.32642832      0.40028332
+H      2.58715494      1.57583871     -1.03255469
+H      2.64442631      2.10070808      2.00190531
+H      1.24300686      2.37513551      0.92350647
+H      2.71742201      3.35136621      0.73002678
+H      6.65522058      1.37068605      0.06034404 
+
+16
+-1566.8158610337412 10.894187 11.97286 -9.4142 -7.1536 -9.207 1.1402 0.1217 1.396 8.68171 -0.79267 6.4017815366 6.4017815366 0.412382178
+C      3.24755451     -1.18421044      0.34470860
+O      4.17795366     -0.11314377      0.31200228
+C      3.59057484      1.07635961     -0.22707809
+C      4.57977895      2.19478869     -0.16076913
+C      4.98069552      2.90660593     -1.22222649
+C      5.93671811      4.05772014     -1.17995026
+H      3.76679519     -2.05069376      0.77356392
+H      2.88939618     -1.44560784     -0.66990128
+H      2.36770401     -0.94284030      0.97260295
+H      2.68444363      1.33105139      0.36397520
+H      3.26517177      0.90588332     -1.27342973
+H      4.97215843      2.43104604      0.83482216
+H      4.58158734      2.63950427     -2.20881727
+H      6.29434608      4.24989875     -0.15909586
+H      5.46634585      4.97945868     -1.55873967
+H      6.81146592      3.86801929     -1.82228733 
+
+18
+-1710.5848141577635 10.651063 11.85371 -9.6523 -7.4087 -11.611 0.963 0.0456 3.084 10.89189 -2.81441 9.3715562016 11.5217834066 0.124787524
+C      1.67540262      2.69935124      0.68637541
+O      3.00558976      2.27373212      0.93212337
+C      3.65187400      1.84009386     -0.26146555
+C      5.08582159      1.41427967      0.04919728
+C      5.73242501      0.81647457     -1.20532612
+C      5.90869513      2.57943339      0.60877800
+H      1.25106680      3.01431597      1.64841882
+H      1.05612778      1.88149771      0.26978510
+H      1.64454218      3.55285533     -0.01808492
+H      3.65591658      2.66232980     -1.01008609
+H      3.09008002      0.99209527     -0.70575577
+H      5.02527230      0.62713866      0.82179237
+H      5.79949341      1.56565912     -2.01069407
+H      5.16005492     -0.04141313     -1.58908801
+H      6.75354717      0.47031625     -0.99069694
+H      6.00437866      3.38304230     -0.13995803
+H      6.92305449      2.25025933      0.87828033
+H      5.43338759      3.00341852      1.50309481 
+
+16
+-1566.9435473095093 10.66009 11.46378 -9.467 -7.2372 -9.27 1.1664 -0.0686 1.418 8.6671 -0.80432 6.4741397662 6.4741397662 0.42688693
+C      1.53796117     -0.21318233      0.67359600
+O      2.95455168     -0.13530144      0.68784695
+C      3.42405000      1.03667696      0.01650465
+C      4.93065559      1.04071190     -0.00828593
+C      5.58716023     -0.17782037     -0.59401356
+C      5.61621786      2.10052357      0.44420229
+H      1.25962949     -1.13701082      1.19654770
+H      1.14247869     -0.24934377     -0.35996228
+H      1.07651823      0.64806399      1.19379283
+H      3.04231374      1.94750298      0.51755546
+H      3.03522822      1.03938697     -1.02580025
+H      5.25820875     -0.33818435     -1.63410276
+H      5.29629035     -1.07689811     -0.03107879
+H      6.68103927     -0.08971603     -0.58328423
+H      5.10781008      2.96416772      0.87751868
+H      6.70602664      2.13916311      0.39006324 
+
+14
+-1411.6822377342867 10.545315 12.12801 -9.4603 -7.1408 -9.246 0.9261 -0.0067 2.461 9.0555 -1.99117 4.1869204298 9.99389153 0.680276418
+C      0.96721452     -0.05398484      0.03021189
+O      2.38790896     -0.04603517      0.02960760
+C      2.88917100      1.29479307      0.00055182
+C      4.34401529      1.29619595      0.00065079
+C      5.55859301      1.32984179      0.00003965
+C      7.01273733      1.35627365     -0.00033520
+H      0.65451841     -1.10514178      0.05272194
+H      0.55522895      0.42608460     -0.87824788
+H      0.55577911      0.46441387      0.91760955
+H      2.51181548      1.85729678      0.88007880
+H      2.51193795      1.81862810     -0.90259047
+H      7.38632987      2.39106325     -0.01139891
+H      7.41987065      0.84387470     -0.88453615
+H      7.41970945      0.86308603      0.89479658 
+
+16
+-1564.7123468288644 10.687759 11.58113 -9.6446 -7.3482 -9.455 1.1977 -0.0186 1.443 8.92096 -0.89437 6.6869245394 6.6869245394 0.45900711
+C      3.54059120     -0.77714310      1.18471814
+O      4.50658511      0.23173253      0.93255251
+C      4.01675804      1.21888299      0.02808503
+C      5.11628227      2.24840660     -0.22940283
+C      6.31146437      1.68100977     -0.93999021
+C      6.79503928      2.13475546     -2.10194759
+H      3.98795497     -1.48532618      1.89366101
+H      3.26534592     -1.31720662      0.25861887
+H      2.61888543     -0.35474345      1.62952320
+H      3.12519321      1.71712119      0.46098339
+H      3.70686416      0.74139893     -0.92383462
+H      5.42339779      2.65926358      0.74831838
+H      4.68767133      3.07889386     -0.81271009
+H      6.79640059      0.83151699     -0.44839150
+H      6.33534161      2.98059934     -2.62108037
+H      7.66793473      1.68019810     -2.57307332 
+
+14
+-1408.9598251533591 10.165586 11.3466 -9.9252 -7.6603 -9.907 0.9922 0.0422 2.283 9.52946 -1.91922 4.3740277024 10.5751750938 0.688219407
+C      1.47153864     -0.38183382     -0.22389883
+O      2.85788447     -0.07210188     -0.19072679
+C      3.08328368      1.31976384     -0.00782416
+C      4.59856061      1.54583211      0.01653868
+C      4.94365742      2.94945222      0.19363750
+C      5.20556679      4.12494971      0.34569478
+H      1.38703294     -1.46589975     -0.37005302
+H      0.95989582      0.13626092     -1.05671422
+H      0.97119389     -0.10449956      0.72296985
+H      2.63186374      1.66793520      0.94175500
+H      2.62555323      1.90178012     -0.83148858
+H      5.02914331      1.16645376     -0.92424653
+H      5.03489080      0.94416151      0.83016454
+H      5.44422465      5.16023562      0.47891179 
+
+16
+-1516.7602383674869 9.440139 10.37251 -9.8504 -7.4824 -11.747 0.8843 -0.0751 3.006 11.13325 -2.76849 9.4090867638 10.579849366 0.110248064
+C      2.10921486     -0.76757996     -0.21089519
+O      3.40342076     -0.17942635     -0.15075751
+C      3.34136430      1.24430918      0.01976186
+C      4.75408294      1.80202994      0.12043186
+C      5.54413227      1.25379580      1.31117307
+O      5.91125027     -0.11747490      1.16144704
+H      2.24835923     -1.84730059     -0.34499821
+H      1.53128044     -0.36756745     -1.06437097
+H      1.53911431     -0.58569942      0.71893217
+H      2.76905980      1.47777075      0.94151676
+H      2.79834359      1.69383607     -0.83499101
+H      4.67402809      2.89812529      0.21192856
+H      5.30458311      1.58951300     -0.81026262
+H      4.95725775      1.40855756      2.24125698
+H      6.48558475      1.81301865      1.42535967
+H      5.11459352     -0.56977757      0.81790755 
+
+14
+-1376.9943120061662 9.512824 10.09274 -8.8925 -6.8214 -9.321 0.929 -0.0347 1.023 8.88031 -0.49034 6.1175560302 6.1175560302 0.315708575
+C      3.18671521     -0.86291337     -1.11439159
+O      2.53478140      0.01892044     -0.19461720
+C      3.17985341      1.18463500      0.07964859
+C      4.35476699      1.63081382     -0.40404678
+C      4.92104326      2.94688246      0.02886019
+O      6.16362964      2.81254765      0.74829331
+H      2.52815248     -1.73190922     -1.21838573
+H      4.16764667     -1.18174370     -0.72597237
+H      3.32301300     -0.37700157     -2.09419727
+H      2.59034325      1.77786823      0.78491787
+H      4.94948403      1.04124292     -1.10445288
+H      4.17469677      3.50051816      0.63032331
+H      5.17380425      3.57469170     -0.83969029
+H      6.01027964      2.14731749      1.44351085 
+
+12
+-1252.4622833072685 9.417382 9.48186 -9.2887 -7.2693 -10.085 0.432 -1.3529 -0.933 9.57576 1.49332 3.4586638616 5.1551023066 0.517084365
+C      3.31682684     -1.14765396     -0.18994918
+O      2.55262859      0.05059248      0.04270212
+C      3.23527917      1.20613949      0.07801746
+C      4.56697131      1.41031580     -0.07712237
+C      5.08451444      2.76895301      0.00249710
+O      6.26563827      3.07872933     -0.12039659
+H      2.59187945     -1.96757358     -0.18356830
+H      4.05848725     -1.29232634      0.60945061
+H      3.82290787     -1.09793119     -1.16537310
+H      2.55615323      2.04459636      0.26011612
+H      5.28201069      0.60812951     -0.25994642
+H      4.30563290      3.55465910      0.19252255 
+
+14
+-1378.434997978491 9.314486 9.94398 -9.0436 -6.9159 -9.43 0.9239 -0.0532 1.101 8.88885 -0.55572 6.2847635498 6.2847635498 0.343613315
+C      1.96759827      0.17896286     -0.87489119
+O      3.28225624      0.58647379     -0.49037235
+C      3.42584568      1.87972416     -0.05044271
+C      2.43816164      2.77614918      0.11093794
+C      4.87981486      2.14595365      0.23946342
+O      5.72214682      1.94420808     -0.90069642
+H      2.06048711     -0.85357218     -1.22906333
+H      1.57971582      0.81984547     -1.68311864
+H      1.27773840      0.21585525     -0.01616092
+H      1.38927903      2.55435909     -0.07462626
+H      2.68766056      3.78016712      0.44728716
+H      5.20015211      1.49912037      1.07959850
+H      5.00750765      3.19225976      0.54370262
+H      5.52295581      1.05177339     -1.23714780 
+
+12
+-1246.5927614805207 8.898899 9.26531 -9.3444 -7.282 -10.052 -0.0333 -1.9161 -0.856 9.90377 1.3835 3.4213192784 5.1042060536 0.28945834
+C      1.54761059     -0.06794601     -0.28375712
+O      2.93946521      0.17677888     -0.07250063
+C      3.33107645      1.48609174     -0.09538117
+C      2.56430151      2.57602509     -0.29405967
+C      4.80374337      1.58414506      0.14017512
+O      5.43204878      2.62750022      0.17415510
+H      1.41812844     -1.15428336     -0.23275285
+H      1.23097890      0.30057675     -1.27314600
+H      0.94167281      0.41825424      0.49819215
+H      1.49191533      2.53957157     -0.46799165
+H      3.06298261      3.54357376     -0.27658999
+H      5.29603602      0.59117206      0.28741669 
+
+16
+-1518.452631859401 9.364443 10.34156 -9.9678 -7.6885 -11.708 0.922 -0.0138 2.889 11.00369 -2.61274 9.2744131706 11.4521280718 0.094627553
+C      3.13473228      0.55570810      2.69641514
+O      3.94727398      1.47272637      1.97336848
+C      3.39683983      1.86344206      0.69917425
+C      2.27505475      2.88855657      0.83786930
+C      4.58342621      2.41008827     -0.09168264
+O      5.63319446      1.45504045     -0.20973174
+H      3.71093454      0.24732188      3.57812807
+H      2.89852720     -0.33745646      2.08880981
+H      2.18918720      1.01331072      3.03688629
+H      3.02480640      0.95252956      0.18766176
+H      2.63989489      3.78885513      1.35306690
+H      1.42461804      2.48615302      1.40435467
+H      1.90014064      3.18086577     -0.15398944
+H      4.93927635      3.33814565      0.39836630
+H      4.26257933      2.66365149     -1.11275738
+H      5.76808393      1.11700140      0.69686023 
+
+14
+-1383.9169701486385 8.905746 9.7489 -9.5634 -7.3296 -10.931 0.8557 -1.1663 -0.096 10.16909 0.70989 3.6964070166 8.2540951808 0.113551197
+C      3.17469233     -0.90643429      0.69631993
+O      2.96622106      0.36420706      1.31361457
+C      3.17477191      1.45001601      0.41189507
+C      2.64799942      2.71947502      1.07774218
+C      4.66529466      1.62554205      0.12334729
+O      5.12899080      2.00547874     -0.93392161
+H      2.97052518     -1.66536099      1.46116668
+H      4.21152675     -1.03208620      0.33576825
+H      2.48663338     -1.05300322     -0.15601312
+H      2.65278212      1.27288593     -0.54837597
+H      3.19289518      2.92190286      2.01072952
+H      1.58501279      2.58877149      1.31945397
+H      2.76097894      3.57873252      0.40438430
+H      5.31823547      1.39299302      1.00736894 
+
+16
+-1518.5693722338644 9.433024 10.43127 -10.0615 -7.7738 -11.837 0.9378 -0.0297 2.984 11.3409 -2.71411 9.4170590636 10.5634584168 0.106756596
+C      1.05808734     -0.05727656      0.16772097
+O      2.47484639      0.02898936      0.21451580
+C      2.94340908      1.36527303      0.02832583
+C      4.46834004      1.32048834     -0.05160163
+C      5.12103272      0.87160700      1.25675066
+O      4.87725848      0.49940398     -1.15564977
+H      0.79284504     -1.11328534      0.30380677
+H      0.66311776      0.29439083     -0.80379630
+H      0.59091768      0.53861484      0.97394897
+H      2.61250699      2.01200579      0.86573057
+H      2.53701307      1.77807083     -0.91533314
+H      4.81455234      2.33711542     -0.30256252
+H      4.76053612     -0.12436605      1.55009196
+H      4.89139905      1.57381678      2.07254490
+H      6.21055361      0.82793571      1.13077226
+H      4.37356428     -0.33221397     -1.06537534 
+
+14
+-1388.3221664330902 8.827382 9.63408 -9.2654 -7.1293 -10.717 1.0858 -0.7929 0.12 9.8246 0.5668 3.7487291086 8.0288002202 0.136295765
+C      3.46538366     -1.06432958      1.20739689
+O      3.29622740     -0.40193501     -0.04363498
+C      3.46907440      1.00352097      0.06167649
+C      4.92273871      1.50236219      0.02091568
+C      5.94441733      0.61434701     -0.64934683
+O      5.19177916      2.60707644      0.46921603
+H      3.30828592     -2.13435941      1.02405512
+H      2.72576197     -0.71016479      1.94831649
+H      4.47762191     -0.91750521      1.62769857
+H      2.98690276      1.41816701      0.96528170
+H      2.96621767      1.44852033     -0.81456688
+H      6.06217586     -0.32679907     -0.09180736
+H      6.90467230      1.13748484     -0.70708608
+H      5.59723094      0.32795427     -1.65349483 
+
+14
+-1383.122310678957 9.010108 9.96518 -9.6045 -7.323 -10.897 1.0961 -0.9218 0.055 10.03091 0.54914 3.676494865 11.8874553164 0.143724445
+C      2.54069057     -0.94393667      0.62246045
+O      3.88868931     -0.49229766      0.59359535
+C      4.00805549      0.78528378     -0.02347718
+C      5.46803078      1.22269900      0.04421729
+C      5.92325091      1.57203957      1.44410279
+O      6.69350495      2.47838977      1.70559502
+H      2.54065906     -1.92687840      1.10911210
+H      2.12677845     -1.04511825     -0.39834821
+H      1.89447380     -0.25447631      1.19745173
+H      3.35375415      1.51974267      0.49049900
+H      3.67763354      0.73580754     -1.07990503
+H      5.66136089      2.08014575     -0.61547786
+H      6.09273723      0.38241247     -0.30738801
+H      5.50091088      0.92559676      2.25418255 
+
+16
+-1504.589273114837 9.660333 10.9182 -9.7358 -7.463 -11.565 1.0485 0.1137 3.23 11.29607 -3.00171 9.3909972064 12.451666008 0.192772775
+C      1.06428677     -0.15743686     -0.02004116
+O      2.47864160     -0.03645507     -0.00582808
+C      2.89148281      1.32424943     -0.00661517
+C      4.41204566      1.34744269      0.00648862
+O      4.82453122      2.70810076      0.02795992
+C      6.23891097      2.82937700      0.03726018
+H      0.83136260     -1.22963070     -0.01137991
+H      0.62683544      0.30107967     -0.92736760
+H      0.60741252      0.31963214      0.86794376
+H      2.50104827      1.85562630      0.88381509
+H      2.51456405      1.85059375     -0.90581251
+H      4.80433873      0.83012645     -0.89136973
+H      4.78733720      0.80719058      0.89810218
+H      6.47131984      3.90142685      0.06195474
+H      6.69060059      2.38143679     -0.86838304
+H      6.68201173      2.34213023      0.92668272 
+
+14
+-1364.7706821312013 9.331126 9.96124 -8.0105 -5.9361 -9.04 0.9781 0.08 1.082 8.68468 -0.60428 5.910164648 12.8912831682 0.318961163
+C      3.46725025     -0.22797061     -1.89440584
+O      2.74819125     -0.03075150     -0.68070284
+C      3.30628570      0.85220941      0.21479230
+C      4.45323566      1.54193930      0.04942376
+O      5.01179934      2.42418474      0.94533634
+C      4.29913774      2.61198135      2.16429483
+H      2.88946207     -0.95366799     -2.47760874
+H      4.47674432     -0.63063655     -1.69918610
+H      3.55784327      0.71437187     -2.46287824
+H      2.68599969      0.92868414      1.10582712
+H      5.07303760      1.46619574     -0.84200929
+H      4.87814508      3.33586677      2.74854645
+H      4.21492086      1.66558207      2.72703154
+H      3.28725718      3.01286126      1.97805871 
+
+16
+-1513.6536917124793 9.319539 10.30098 -9.9253 -7.7331 -11.89 1.0088 0.0909 3.158 11.12572 -2.86339 9.470856589 10.6770791872 0.090542943
+C      2.15319295      4.08000036      2.15724425
+O      2.32617705      2.71229958      2.54274060
+C      3.23225846      1.96869948      1.72862519
+C      2.86722268      1.93724527      0.25218092
+O      4.56489107      2.45176779      1.81612360
+C      5.12875944      2.30370685      3.12098159
+H      1.59163245      4.55602157      2.97055180
+H      1.57261732      4.17491379      1.22348895
+H      3.12074479      4.59276355      2.03447644
+H      3.17576325      0.95480085      2.17027947
+H      3.04969529      2.91105972     -0.22049987
+H      1.81002165      1.66709985      0.13305921
+H      3.48484513      1.19020258     -0.26194456
+H      6.16145444      2.66789460      3.05928963
+H      5.13500255      1.24248702      3.43120359
+H      4.57505149      2.88793714      3.87341920 
+
+12
+-1266.838127036842 8.906114 9.4213 -10.1665 -8.1443 -10.665 0.2512 -1.5501 -0.679 10.14413 1.21158 4.1964673518 5.7478793726 0.410981832
+C      2.67599317     -1.66998749     -0.94702191
+O      3.93251969     -1.06467456     -0.57007791
+C      3.91039902      0.30169645     -0.51940198
+O      2.92206356      0.97150679     -0.76726636
+C      5.24578645      0.81780439     -0.12518295
+C      5.46611348      2.13271168     -0.00767967
+H      2.85091701     -2.75006855     -0.91537140
+H      2.38637473     -1.35196710     -1.95731815
+H      1.88505748     -1.38142662     -0.24254823
+H      6.02594083      0.07744256      0.06016714
+H      4.65988093      2.84265722     -0.20205099
+H      6.44219364      2.52281525      0.28034241 
+
+10
+-1102.7194040841093 8.479928 9.15458 -10.4998 -8.3422 -10.952 0.3365 -1.5686 -0.698 10.35205 1.2218 3.8555182504 10.9391235982 0.27341058
+C      1.44962945     -0.40288052      0.93515527
+O      2.82993100     -0.23921954      0.52693756
+C      3.23740939      1.05408880      0.44283971
+O      2.53949760      2.02416213      0.68040973
+C      4.62124611      1.13281105      0.03097455
+C      5.77522763      1.28782908     -0.30935565
+H      1.28320020     -1.48396405      0.95317471
+H      0.77868559      0.08459185      0.21628275
+H      1.29120455      0.03427851      1.92931960
+H      6.79480848      1.42267269     -0.61010824 
+
+14
+-1370.5632667697898 9.393692 9.96585 -9.0475 -6.8613 -9.589 0.9893 0.0739 1.08 9.14581 -0.6199 6.404310851 6.404310851 0.356026242
+C      3.37090527     -1.96064965     -0.42827519
+O      2.56656229     -0.77735454     -0.52520399
+C      3.14749040      0.33247747      0.06324815
+O      4.27142625      0.76262213     -0.73495090
+C      4.95682107      1.84413462     -0.26945671
+C      4.70788960      2.58308121      0.82426626
+H      2.75555668     -2.78491705     -0.80663212
+H      3.64634362     -2.16016559      0.62248314
+H      4.28500781     -1.87322535     -1.03440372
+H      3.51601319      0.11734310      1.08810176
+H      2.38709876      1.13004602      0.08135493
+H      5.79334201      2.06556800     -0.93590254
+H      3.88261136      2.40029068      1.50933806
+H      5.36678169      3.42093897      1.04230289 
+
+10
+-1103.6108127358134 7.824207 8.01294 -7.8539 -5.6717 -8.806 1.5506 -0.2915 0.717 8.62711 -0.4732 4.7982086056 12.9824872698 0.703967747
+O      1.45487846     -0.25823052     -0.07398996
+C      0.47945359     -1.25672420     -0.07722675
+C     -0.83458911     -1.02349445     -0.08308464
+O     -1.40693669      0.24964536     -0.08675950
+C     -0.43151074      1.24813015     -0.08350591
+C      0.88252626      1.01490368     -0.07764806
+H      0.90150456     -2.25763145     -0.07445582
+H     -1.57529755     -1.81804449     -0.08551505
+H     -0.85355029      2.24905061     -0.08626169
+H      1.62322151      1.80946533     -0.07520262 
+
+14
+-1428.932266746689 10.005535 10.63455 -8.9599 -6.8035 -9.338 1.2282 -0.0783 1.132 8.87387 -0.57522 6.3402224876 6.3402224876 0.407625031
+O      1.05708779     -0.15087328      0.01254388
+C      2.46253997     -0.09226996     -0.01141412
+C      3.13015840     -0.74968471     -1.16961951
+C      3.18021149      0.76594625     -1.06292888
+C      4.40648571      1.50948165     -0.70107569
+C      5.60597902      0.98665797     -0.40501634
+H      0.73593841      0.60336122      0.53828815
+H      2.95908755     -0.15622041      0.96365791
+H      2.47127454     -1.15461420     -1.93791604
+H      4.03939963     -1.32299696     -0.98893156
+H      2.48695801      1.29063266     -1.72499762
+H      4.28602289      2.59723826     -0.64409370
+H      5.80453640     -0.08608493     -0.45774844
+H      6.43770020      1.62423644     -0.10524804 
+
+12
+-1273.4060326442993 9.669016 10.50222 -9.2653 -7.0219 -9.521 0.946 -0.0491 2.069 9.17888 -1.67969 4.3003800184 9.300995769 0.433445825
+O      1.05089228     -0.10198008     -0.05571796
+C      2.45063741     -0.02530626      0.02982012
+C      3.21263021     -0.73658335     -1.03160092
+C      3.21488385      0.79698284     -1.01398906
+C      4.38939002      1.52396525     -0.64018283
+C      5.38564716      2.13395709     -0.30149040
+H      0.68024096      0.68659512      0.37983968
+H      2.86880414     -0.02073654      1.04175641
+H      2.62685291     -1.20064558     -1.82497263
+H      4.13553948     -1.24527747     -0.75669274
+H      2.57780831      1.26069759     -1.77106360
+H      6.26536326      2.66884140     -0.00827608 
+
+12
+-1250.141067766869 8.554818 9.22222 -9.5463 -7.4274 -11. 0.9523 -0.9242 -0.196 10.01017 0.79889 3.6822974098 7.111465002 0.234441786
+O      1.04022760     -0.04594861     -0.08422476
+C      2.43575131      0.00583722      0.02372024
+C      3.21025550     -0.75832032     -0.97449115
+C      3.22615277      0.77164784     -1.06065699
+C      4.43165040      1.51008048     -0.64959514
+O      4.77412564      2.59664192     -1.08949258
+H      0.67499759      0.77328091      0.29570629
+H      2.83130115      0.06471925      1.04370019
+H      2.64632999     -1.26326620     -1.75798934
+H      4.12556201     -1.25682917     -0.65250383
+H      2.62593000      1.23044060     -1.84743282
+H      5.04426605      0.99473608      0.14065989 
+
+14
+-1386.0392253492669 8.678244 9.61276 -9.5874 -7.3281 -11.352 0.8999 -0.1209 2.651 11.12338 -2.42901 8.9649069188 13.1635192284 0.113791503
+O      0.94520158      0.03154749      0.02375473
+C      2.36332832      0.01033778      0.03234102
+C      3.03746933      1.06302692      0.93469112
+C      4.14164758      0.01487700      1.24819516
+C      3.12649981     -1.08055677      0.82732855
+O      3.54616264     -2.28002763      0.19838084
+H      0.63683808     -0.69408224     -0.54744758
+H      2.77341650      0.06965154     -0.99711644
+H      2.40655084      1.26081110      1.81236142
+H      3.33363029      2.01379460      0.47645630
+H      4.97386605      0.08131946      0.52975736
+H      4.55161524     -0.02906958      2.26438420
+H      2.51227582     -1.38859623      1.68768158
+H      4.15750792     -2.03863343     -0.52077827 
+
+12
+-1257.2550000296542 8.189672 8.87752 -9.618 -7.5062 -10.68 0.7193 -1.1119 -0.051 9.84334 0.74361 3.6884347168 7.4384408812 0.090866524
+O      1.00414231     -0.04071776     -0.30289846
+C      2.39292912      0.04488063     -0.12681915
+C      3.05159223      1.06630358      0.87228675
+C      4.10305532     -0.01427154      1.26939377
+C      3.10387659     -1.03081943      0.70150146
+O      2.73893932     -2.13503430      1.04472532
+H      0.68744712     -0.76830682      0.26671307
+H      2.87681479      0.15528459     -1.11396243
+H      2.36800231      1.28805731      1.70176266
+H      3.42469004      1.99661285      0.43013667
+H      5.02439903      0.04447335      0.67268647
+H      4.35976184     -0.13898247      2.32798386 
+
+16
+-1593.6244298095817 9.644203 10.56761 -9.9988 -7.7004 -11.891 0.9298 -0.0469 3.025 11.40439 -2.7438 9.6718130978 11.6008244816 0.102363319
+O      0.98449288      0.05399025     -0.02216338
+C      2.41636898     -0.01161929      0.02026020
+C      2.96604135      1.12288961      0.88625344
+C      4.39785895      0.66641467      1.18580375
+C      4.27104660     -0.85970401      1.42662878
+C      2.98232187     -1.29537279      0.67479968
+H      0.67186322     -0.62944178     -0.63895532
+H      2.82205290      0.09456867     -1.00565602
+H      2.36651432      1.16978296      1.81120207
+H      2.90310090      2.10230500      0.39242924
+H      5.04004888      0.86043264      0.31080769
+H      4.84860931      1.19485605      2.03733054
+H      5.16302223     -1.40217631      1.08297929
+H      4.17051730     -1.06778400      2.50201161
+H      3.17114054     -2.08560596     -0.06684572
+H      2.22461977     -1.67686571      1.37620415 
+
+14
+-1470.3104561451564 9.116598 9.89843 -9.13 -7.0444 -10.519 1.1184 -0.6667 0.341 9.59762 0.40048 3.7454558782 12.5064926172 0.231385005
+O      1.23658964     -0.04857866      0.75040127
+C      2.34302924     -0.01298406      0.24452103
+C      3.17940689      1.24793402     -0.00158913
+C      4.32348620      0.79382513     -0.91792919
+C      4.55327566     -0.68365475     -0.52584822
+C      3.14113820     -1.22161566     -0.25818695
+H      3.56064652      1.57297475      0.98249599
+H      2.55290256      2.06352763     -0.38587289
+H      4.00449099      0.85333256     -1.97135939
+H      5.23080931      1.40429243     -0.81670832
+H      5.09430309     -1.24668983     -1.29814987
+H      5.15367343     -0.73379059      0.39714117
+H      2.65634191     -1.55649699     -1.19202903
+H      3.07391634     -2.05609598      0.45220350 
+
+10
+-1180.2668755523532 8.801806 8.75938 -9.4096 -7.2092 -9.273 -1.1643 -3.0159 -1.65 8.82479 1.88684 2.8942919882 6.696607846 0.890122272
+O      0.87619966      0.00009003      0.00719031
+C      2.09702525      0.00023159      0.00204899
+C      3.00627277      1.20772274     -0.00154073
+C      4.27176581      0.75168944     -0.00700283
+C      4.27193342     -0.75078863     -0.00728451
+C      3.00652750     -1.20708539     -0.00199285
+H      2.64558747      2.23251116      0.00018399
+H      5.18171499      1.35061130     -0.01072819
+H      5.18201000     -1.34951449     -0.01123348
+H      2.64599313     -2.23192775     -0.00065070 
+
+12
+-1327.875749963178 8.924384 9.33983 -9.3424 -7.238 -9.666 1.0568 -0.7926 0.291 9.63121 0.45114 3.7324497468 12.3754518138 0.361299241
+O      1.17586187     -0.00143013      0.56671461
+C      2.32915840     -0.00127064      0.18353954
+C      3.18410871     -1.24567327     -0.10876176
+C      4.50201212     -0.67268209     -0.54856895
+C      4.50434890      0.67083298     -0.54095071
+C      3.18843180      1.24336915     -0.09466931
+H      2.68769377     -1.86695526     -0.87333123
+H      3.24826518     -1.87333975      0.79625778
+H      5.35155308     -1.29197430     -0.83824725
+H      5.35603442      1.29042180     -0.82361428
+H      3.25474795      1.86053062      0.81739328
+H      2.69420379      1.87500089     -0.85214172 
+
+12
+-1332.6686985414824 9.168052 9.32821 -9.0984 -7.122 -10.145 0.2397 -1.4816 -0.537 9.25099 1.11415 3.5463467608 5.4622900202 0.429199067
+O      1.09753765      0.00688981     -0.54839773
+C      2.26556951      0.01683494     -0.18459126
+C      3.14679241     -1.22113900      0.05635231
+C      4.51432988     -0.67309624      0.49801185
+C      4.33686913      0.82285396      0.48331382
+C      3.10105178      1.20463951      0.10783369
+H      3.19453412     -1.81186139     -0.86935109
+H      2.66921966     -1.85770669      0.81449653
+H      5.33356741     -0.97329058     -0.17600983
+H      4.80987218     -1.01906916      1.50228973
+H      5.14735608      1.50238831      0.75471289
+H      2.72694020      2.22349652      0.01850910 
+
+12
+-1307.8201803814302 9.345869 9.46576 -8.6384 -6.495 -8.472 0.4602 -1.1606 0.455 8.0226 0.04838 4.5760628894 7.1276699722 0.431324394
+O      0.86803997     -0.03811719      0.19219179
+C      2.28862030      0.02810927      0.03831122
+C      2.86591895      1.20397610     -0.72491897
+C      3.72125747      0.73389572     -1.65933121
+C      3.70312665     -0.74026184     -1.64275910
+C      2.83800948     -1.16850589     -0.69793292
+H      0.58993249      0.73556136      0.71270258
+H      2.78517885      0.02982313      1.03812437
+H      2.65545342      2.24533451     -0.48589457
+H      4.34008288      1.33279495     -2.32766727
+H      4.30515857     -1.36951597     -2.29786964
+H      2.58306096     -2.19308413     -0.43667628 
+
+14
+-1452.6730229907964 9.497578 9.95173 -9.2791 -6.9756 -9.074 0.908 -0.0677 1.387 8.57923 -0.78044 6.179772205 6.179772205 0.318193719
+O      1.02325136     -0.06204549      0.05336252
+C      2.45980785      0.00823587      0.00013561
+C      2.93178228     -1.22350642     -0.80546479
+C      3.26374143     -0.66609353     -2.16561395
+C      3.27261072      0.67394810     -2.17022661
+C      2.95682666      1.23809056     -0.80819763
+H      0.70592262      0.73541532      0.51144368
+H      2.86847634      0.00579283      1.02616945
+H      2.13286303     -1.98123248     -0.82528436
+H      3.81254983     -1.69744883     -0.33881756
+H      3.48457993     -1.29750485     -3.02757206
+H      3.49693045      1.29816389     -3.03656454
+H      3.85420861      1.68553067     -0.34406167
+H      2.18876889      2.02972436     -0.83459810 
+
+14
+-1452.0662903067919 9.560448 9.9952 -9.498 -7.224 -9.221 1.0315 -0.2199 1.354 8.69951 -0.74639 6.2787006344 6.2787006344 0.323363845
+O      0.97183472      0.05175588     -0.04974854
+C      2.41742589     -0.03721543     -0.02754082
+C      2.95399208     -1.31812677      0.66251122
+C      3.31332150     -0.90522735      2.11000637
+C      3.38532949      0.59793371      2.02811669
+C      2.92338817      1.07014131      0.86220531
+H      0.65614848     -0.51514441     -0.77500483
+H      2.79553575      0.05295334     -1.06280536
+H      3.86094024     -1.65647795      0.13885092
+H      2.21691363     -2.13187923      0.61346725
+H      4.26121904     -1.35417317      2.44643473
+H      2.54758746     -1.21420865      2.84258077
+H      3.75035288      1.21644070      2.85054581
+H      2.83661067      2.12159803      0.58717049 
+
+10
+-1134.9406142741307 8.069102 8.26787 -8.194 -6.073 -8.27 0.8141 -0.2477 0.424 7.89214 0.09121 4.4307388988 6.870250239 0.414005558
+O      0.99201088     -0.13988729     -0.00315028
+C      2.32897720      0.07625619      0.00188819
+C      3.13401071      1.18447066      0.00317899
+C      4.47807668      0.67153379      0.00958173
+C      4.38489231     -0.68712185      0.01162824
+O      3.05148188     -1.07098155      0.00688087
+H      0.54960303      0.72664911     -0.00650818
+H      2.81764435      2.22216586      0.00004303
+H      5.39653805      1.25026150      0.01229276
+H      5.10049491     -1.49971641      0.01600465 
+
+12
+-1287.4005438219183 7.935392 8.64902 -10.0288 -7.906 -11.327 0.8138 -0.2418 0.209 10.28854 0.41425 4.3560373338 12.5755652178 0.16501094
+O      1.18104096     -0.15563526      0.38000644
+C      2.33317695     -0.02723661      0.04178576
+C      3.19135576      1.23346810      0.02859176
+C      4.37061181      0.86284348     -0.87103903
+C      4.44619799     -0.65803911     -0.68350578
+O      3.08825137     -1.09015488     -0.40567749
+H      3.50433669      1.43046708      1.06673750
+H      2.59630267      2.09059894     -0.30582981
+H      4.14152755      1.10327391     -1.91940002
+H      5.31156131      1.35998832     -0.60360388
+H      4.78801435     -1.20228118     -1.57263338
+H      5.07724256     -0.94042279      0.17504791 
+
+10
+-1144.6395462191128 7.694138 8.07147 -9.5384 -7.3366 -9.874 1.1298 -0.7383 0.065 10.427 0.5467 4.3667001298 12.811721352 0.343423276
+O      1.18537904      0.14383314      0.35474490
+C      2.33602902      0.01344602      0.02977028
+C      3.20536429     -1.23695248     -0.06689929
+C      4.52381321     -0.69760159     -0.52814414
+C      4.39621726      0.62733541     -0.66147702
+O      3.12819449      1.11354727     -0.34768903
+H      2.73748374     -1.94920750     -0.76442013
+H      3.23662934     -1.73208845      0.91626297
+H      5.42399107     -1.27274517     -0.72137227
+H      5.10408854      1.39134336     -0.97066627 
+
+10
+-1130.6430058863007 8.011489 8.22143 -8.4591 -6.3495 -8.469 0.9026 -0.1587 0.318 8.0019 0.14179 4.5447936202 6.5437703038 0.421928976
+O      0.89724799     -0.02846297     -0.00555032
+C      2.26612458      0.01918876     -0.00008032
+C      3.11372479      1.09738184      0.00376379
+O      4.42073331      0.65486880      0.00878819
+C      4.37333302     -0.71073503      0.00801129
+C      3.08255650     -1.15715295      0.00266770
+H      0.55131370      0.88112503     -0.00654558
+H      2.96886673      2.17127837      0.00365371
+H      5.33268354     -1.21589997      0.01164246
+H      2.74040586     -2.18666188      0.00086908 
+
+14
+-1393.2428973938272 8.498156 9.2603 -9.5588 -7.2859 -11.51 0.8816 -0.1441 2.865 10.8288 -2.5813 9.1416985562 14.5126108944 0.112298726
+O      1.17661730      0.03021637      0.92322274
+C      2.29996689     -0.00315253      0.02590294
+C      3.19393383      1.18738379      0.38269934
+C      4.04622412      0.60647559      1.50931880
+O      4.32274451     -0.74724658      1.10379367
+C      3.23540365     -1.20188174      0.27858162
+H      0.67231005     -0.79290858      0.80390169
+H      1.95327230      0.02738080     -1.02235420
+H      2.59472127      2.05810129      0.67810557
+H      3.82393942      1.45538696     -0.47824570
+H      5.01155841      1.11272475      1.64719863
+H      3.49188027      0.61840572      2.46576124
+H      3.65661715     -1.59602799     -0.66176028
+H      2.69027082     -2.01793784      0.78777394 
+
+12
+-1266.6089808255065 8.004078 8.68206 -9.4595 -7.3132 -10.76 0.8968 -0.9958 0.117 9.8702 0.59478 3.7511840314 13.1558692922 0.15087274
+O      1.14086708     -0.05494134      0.58389957
+C      2.29237286      0.01535861      0.20488096
+C      3.13191386      1.27764807     -0.00155308
+C      4.33050798      0.75176294     -0.78970683
+O      4.50146189     -0.61690845     -0.35631853
+C      3.19524168     -1.15853098     -0.18172940
+H      3.43341947      1.64786163      0.99134555
+H      2.54445273      2.06080328     -0.49641560
+H      4.13216279      0.78402016     -1.87854401
+H      5.27428361      1.27224519     -0.58682830
+H      2.80227549     -1.60986125     -1.11654209
+H      3.21713056     -1.93328785      0.59695176 
+
+12
+-1258.0175311809191 8.227291 8.98688 -9.3708 -7.2636 -10.665 0.9849 -0.9019 0.191 9.80783 0.54306 3.7580528558 12.6827263176 0.180068918
+O      0.93671461      0.01797489      0.21863987
+C      2.34387472     -0.01206479      0.02536747
+C      3.06970588      1.07755303      0.85408674
+C      4.03907011     -0.00951175      1.33403063
+O      5.12409586      0.01058650      1.86868799
+C      3.15580953     -1.12794544      0.76159010
+H      0.53604895     -0.67421796     -0.33521098
+H      2.60421447      0.04372529     -1.04518568
+H      2.42707756      1.42647752      1.67809370
+H      3.49893074      1.94541800      0.33747991
+H      3.65866312     -1.90675953      0.17273814
+H      2.55278444     -1.59669577      1.55518212 
+
+14
+-1382.374888516972 8.655391 9.52578 -9.9027 -7.6485 -11.622 0.8204 -0.214 2.741 11.40202 -2.54056 9.3614761398 13.7212330536 0.119017266
+O      0.90561460      0.02189969      0.16679923
+C      2.31998124     -0.02653504      0.01829680
+C      3.05948833      1.05087707      0.83916015
+C      4.12046330     -0.01449932      1.24068907
+O      5.35585853      0.03911722      0.52580419
+C      3.12246374     -1.11920553      0.78343151
+H      0.51433451     -0.66062031     -0.40585691
+H      2.59434049      0.00848008     -1.05269068
+H      2.44282180      1.35042136      1.69906721
+H      3.42170829      1.95024932      0.32248353
+H      4.41220723     -0.03335170      2.29848752
+H      5.15922458      0.10076986     -0.42596249
+H      3.54594889     -1.95948768      0.21493863
+H      2.53192447     -1.50508502      1.62712226 
+
+12
+-1254.3618616360623 8.441208 8.76432 -8.7543 -6.5959 -9.208 0.9052 -0.2843 1.131 8.77667 -0.60394 5.9863292478 5.9863292478 0.244781472
+O      0.95719582     -0.01453957     -0.02158725
+C      2.40413696     -0.02872686     -0.02957151
+C      3.01658240     -1.26026814      0.67820316
+O      3.47203588     -0.82294265      1.99435935
+C      3.43277303      0.54311951      1.95799390
+C      2.91109860      1.08296587      0.84505005
+H      0.65175502     -0.52189771     -0.79430656
+H      2.75938807      0.04180253     -1.07237911
+H      3.89907382     -1.64052269      0.14140333
+H      2.28315370     -2.06420753      0.82336322
+H      3.82822213      1.02545056      2.85062414
+H      2.77004457      2.14034670      0.64556727 
+
+10
+-1147.290405850192 7.89626 8.09845 -10.1505 -8.1031 -10.475 0.213 -1.5824 -0.719 10.00073 1.19823 4.162705964 5.606894892 0.42949754
+O      1.11591950     -0.11956101     -0.28125676
+C      2.28661963      0.00043905     -0.00226462
+O      3.08837988     -1.09323270      0.33141593
+C      4.41829995     -0.63276987      0.60903440
+C      4.37937073      0.85004393      0.41943220
+C      3.13909189      1.21060742      0.06467402
+H      5.12022134     -1.13026518     -0.08139325
+H      4.68896482     -0.92167948      1.63867264
+H      5.24867666      1.49078455      0.55972650
+H      2.75186561      2.20198331     -0.15261106 
+
+14
+-1376.0932638441304 8.812968 9.89866 -9.4863 -7.2532 -11.115 0.9545 -0.0747 2.938 10.76526 -2.64152 8.7487125306 11.2177077416 0.239498474
+O      2.90775913     -0.97648466     -0.72736122
+C      2.35432726      0.05989866      0.10270580
+C      3.30345121      1.22342179      0.12272618
+C      3.35550243      2.19672311     -1.05071317
+C      2.78127262      2.63346824      0.26517381
+O      3.40720452      3.58762397      1.09466776
+H      2.31746427     -1.74724538     -0.67216331
+H      2.19645988     -0.30994429      1.13340877
+H      1.37292159      0.39117785     -0.28982245
+H      4.26277278      1.02650178      0.60932155
+H      2.68271572      2.03308931     -1.89427136
+H      4.33928296      2.57989982     -1.33009323
+H      1.69804167      2.75994604      0.32633267
+H      4.33976397      3.65955378      0.82674820 
+
+16
+-1573.4022697524329 9.854198 10.93889 -10.2506 -7.8067 -11.716 0.9957 -0.0044 3.017 11.5324 -2.7604 9.7194609176 10.4415677802 0.120525819
+O      2.26934574     -0.40448344     -1.39371139
+C      2.36026429      0.03712222     -0.03022860
+C      3.12483143      1.34185149      0.00237481
+C      2.45187449      2.63319007     -0.54251637
+C      3.08422718      3.41275698      0.64161711
+C      3.28661078      2.05750881      1.37281451
+H      1.74966259     -1.22522554     -1.41003476
+H      2.88208608     -0.71484640      0.59408726
+H      1.35134827      0.19270748      0.40090207
+H      4.10762869      1.19420482     -0.47430804
+H      1.35634701      2.57145128     -0.44893175
+H      2.70004512      2.94782595     -1.56439631
+H      4.04645127      3.86465450      0.36019529
+H      2.47162004      4.17570554      1.14086808
+H      4.22194231      1.90035035      1.92761056
+H      2.43919470      1.83272589      2.03998751 
+
+14
+-1441.8574017705246 9.305402 10.09354 -9.5509 -7.3707 -10.827 0.7329 -1.1617 -0.01 9.96568 0.66389 3.6441717148 12.3851227218 0.152849654
+O      1.04798012      0.08648061      0.71615345
+C      2.05215525      0.08199095      0.02301653
+C      3.06022081      1.20113823      0.01029822
+C      2.51704881      2.65453241     -0.19409972
+C      3.50468960      3.14778935      0.89256580
+C      3.61205281      1.68549930      1.39241698
+H      2.26357554     -0.78837551     -0.65127434
+H      3.87645324      0.97371882     -0.69170328
+H      1.47497967      2.70902478      0.15056665
+H      2.59571579      3.07528189     -1.20506806
+H      4.45030717      3.49614152      0.45272708
+H      3.14496272      3.90415245      1.60284873
+H      4.59652154      1.30457788      1.69405763
+H      2.87435692      1.47072730      2.17814432 
+
+14
+-1374.8230342428692 8.610089 9.63303 -9.5563 -7.2958 -11.403 0.9804 -0.1047 2.958 10.82069 -2.69483 9.2688461992 14.0558464704 0.067531074
+O      2.04402366     -0.41643356     -1.26582979
+C      2.35008516      0.12539902      0.02505029
+C      3.17486648      1.37987684     -0.19430401
+C      2.45060756      2.67343385     -0.62052981
+C      3.04670401      3.27029164      0.66716012
+O      3.57525604      1.97211195      1.07923498
+H      1.52234167     -1.22523718     -1.13653456
+H      2.94327912     -0.58000309      0.63619601
+H      1.43362522      0.38317934      0.58798188
+H      4.05465272      1.13391783     -0.81683183
+H      1.35661259      2.58295874     -0.62001813
+H      2.77907825      3.12257941     -1.56466290
+H      3.86017832      3.99854462      0.50820265
+H      2.33821920      3.67278059      1.40819510 
+
+12
+-1241.7623922934094 8.088075 8.89684 -9.6512 -7.3909 -10.959 0.6947 -1.3149 -0.135 10.18442 0.76128 3.6736307884 13.649494754 0.149500185
+O      1.12430325     -0.17485827     -0.44464446
+C      2.09654127      0.16569266      0.20189853
+C      3.01513420      1.29842567     -0.20955604
+C      2.43142620      2.73094694     -0.11816225
+C      3.59894912      2.98936477      0.85276749
+O      4.02611264      1.59267781      0.79101557
+H      2.38105928     -0.32852131      1.16739293
+H      3.46000841      1.05119970     -1.19163663
+H      1.43085485      2.78008053      0.32811483
+H      2.44150579      3.29893175     -1.05441466
+H      4.38341411      3.66220181      0.47059923
+H      3.32898089      3.28271795      1.87904546 
+
+14
+-1372.84017446296 8.58543 9.52635 -9.5669 -7.2613 -11.483 0.904 -0.1406 2.844 10.89572 -2.58479 9.3123900824 14.3131422176 0.151856916
+O      2.14053835     -0.40048506     -1.33740450
+C      2.32897483      0.04000156      0.01406571
+C      3.12605083      1.32836294     -0.02188349
+C      2.34936161      2.57905756     -0.48270287
+O      2.34798015      3.13225854      0.86897441
+C      3.22096241      2.06325547      1.33124135
+H      1.57884949     -1.19327703     -1.32251643
+H      2.87848861     -0.71820108      0.60535162
+H      1.35704355      0.22135801      0.51256834
+H      4.08149438      1.15974126     -0.53741861
+H      1.32928498      2.40312321     -0.85915635
+H      2.89375038      3.23296636     -1.18373358
+H      4.22551058      2.43967454      1.58831579
+H      2.79666985      1.53585372      2.20297863 
+
+12
+-1239.5263846997852 8.049142 8.74718 -9.8722 -7.5786 -11.153 0.446 -1.5245 -0.262 10.23431 0.88192 3.648660008 9.7061572198 0.149807226
+O      1.02546768      0.07896351      0.72201290
+C      2.02885302      0.06186651      0.03089386
+C      3.03885055      1.18336438      0.00321399
+C      2.47745360      2.62345297     -0.14878196
+O      3.15396636      3.08110606      1.05257312
+C      3.52612444      1.71547102      1.37888283
+H      2.24581891     -0.81468084     -0.63114206
+H      3.85807593      0.95899169     -0.69203167
+H      1.38129770      2.67216115     -0.04148779
+H      2.80629698      3.17411193     -1.04285940
+H      4.60416712      1.61716430      1.57613243
+H      2.93733773      1.32494733      2.22524376 
+
+14
+-1381.2446213037224 8.771939 9.74377 -9.5657 -7.3228 -11.008 0.8781 -0.1961 2.843 10.67929 -2.51509 8.5793848504 11.7175325034 0.218158505
+O      2.84020172     -1.01024167     -0.28326940
+C      2.08480471      0.13631868      0.15623628
+C      3.05036006      1.28399789      0.28853273
+O      4.07341646      1.05248566      1.23625061
+C      3.38073638      2.13175134     -0.92165759
+C      2.54875876      2.69305003      0.22006098
+H      2.31538898     -1.80684379     -0.10017468
+H      1.62103018     -0.05938112      1.13964637
+H      1.29059157      0.38892888     -0.56943746
+H      4.49457160      0.21433044      0.96428828
+H      2.88677291      1.90600440     -1.86754501
+H      4.41054365      2.47879086     -1.00022548
+H      3.03514964      3.40096360      0.89100485
+H      1.48303339      2.86179479      0.05958954 
+
+16
+-1572.0248887961502 9.893893 11.11938 -10.1778 -7.8282 -11.36 0.973 -0.0256 3.16 11.01722 -2.87121 9.4226012378 11.7962016204 0.3222601
+O      2.08996351     -1.11712561     -0.94090874
+C      2.05310020      0.26904454     -0.56257396
+C      2.98192063      0.46226456      0.62943852
+C      4.43943672      0.20955860      0.30605396
+C      5.28521919      1.31429227     -0.28532699
+C      5.52369373      0.85175151      1.13602931
+H      1.54459325     -1.22545160     -1.73725406
+H      1.02485194      0.56865366     -0.28568849
+H      2.38485004      0.91117200     -1.40051077
+H      2.65247133     -0.20873238      1.44107624
+H      2.85819974      1.49446772      0.99916802
+H      4.64848789     -0.79769156     -0.06045921
+H      4.81799670      2.29146269     -0.42520790
+H      6.02441228      1.05533677     -1.04396445
+H      6.42570384      0.27676483      1.34794144
+H      5.21505904      1.51985201      1.94243707 
+
+14
+-1441.01354854208 9.370877 10.4056 -9.6317 -7.3902 -10.92 1.2777 -0.7811 -0.017 10.08963 0.6453 3.67308525 11.3250424218 0.222351259
+O      2.48653721      1.54025437      1.48996531
+C      2.19908681      1.46356607      0.31024218
+C      3.18876916      1.42973180     -0.83204459
+C      4.63982122      1.38310909     -0.42568500
+C      5.33253295      0.05384392     -0.24528909
+C      5.68759312      0.93872150     -1.41884456
+H      1.12439372      1.43123233     -0.01385655
+H      2.96523689      2.32012244     -1.45318694
+H      2.91933583      0.57227142     -1.47636282
+H      4.93442334      2.16763739      0.27408931
+H      4.75531290     -0.85023738     -0.44674101
+H      6.05021500     -0.04213423      0.56910385
+H      6.65247091      1.44625546     -1.41012894
+H      5.35160093      0.62779582     -2.40980114 
+
+14
+-1374.1290276645077 8.683357 9.83335 -9.9793 -7.7375 -11.921 1.0078 -0.0372 2.855 11.06939 -2.59408 9.2550217602 11.682146899 0.170648986
+O      2.79450684      0.19508330     -1.72106333
+C      2.20393154     -0.04424660     -0.43337622
+C      2.94235878      0.81085482      0.58993658
+C      4.37777840      0.38597894      0.77959152
+C      5.05135566      0.47918373      2.08443079
+O      4.59256702     -0.79526265      1.59237302
+H      2.41594338     -0.44199852     -2.34902435
+H      2.28713343     -1.10925493     -0.15114255
+H      1.13242377      0.22841086     -0.43792873
+H      2.41497371      0.74823616      1.55454159
+H      2.91487741      1.86282085      0.25889617
+H      5.00110139      0.41490055     -0.12155797
+H      4.49670118      0.87268627      2.94429739
+H      6.13928748      0.59848723      2.12918608 
+
+12
+-1241.9742845768792 8.134363 9.05154 -9.9082 -7.6522 -11.254 1.0283 -1.0824 -0.302 10.39081 0.90876 3.6765444594 11.4213671452 0.357272911
+O      2.19717339     -1.11644524      0.04936711
+C      1.95259354      0.06019202     -0.14185395
+C      2.94147342      1.18987616      0.02162053
+C      4.33027368      0.75928522      0.41916456
+C      5.40205644      0.58709557     -0.57302272
+O      5.36192924      1.75727179      0.27020119
+H      0.92829594      0.38825500     -0.45930739
+H      2.51927430      1.88395865      0.77277387
+H      2.96270059      1.76969404     -0.91793113
+H      4.39742749      0.17516748      1.34366120
+H      5.18603025      0.76788854     -1.63202027
+H      6.22032171     -0.10971923     -0.36651300 
+
+8
+-980.7267053133241 9.362272 9.64562 -10.3048 -8.3043 -10.469 -1.0471 -2.8464 -1.222 9.74147 1.81593 3.3796227866 10.7415023128 0.557303607
+O      0.90946480     -0.00036702      0.00000000
+C      2.13905343     -0.00025467      0.00000000
+C      2.91657949     -1.22236761      0.00000000
+C      3.54882952     -2.26048208      0.00000000
+C      2.91636420      1.22199504      0.00000000
+C      3.54845586      2.26020591      0.00000000
+H      4.10045925     -3.17952439      0.00000000
+H      4.09997345      3.17931482      0.00000000 
+
+10
+-1148.7664249660227 10.992102 10.39716 -9.6883 -7.7159 -9.556 -0.9755 -2.6895 -1.324 9.10661 1.83884 3.3325453024 4.2636801624 0.451615992
+O      0.98836815     -0.24196677     -0.06947817
+C      2.20126331     -0.08081855     -0.03748422
+C      2.86193485      1.22650831     -0.04043463
+C      4.21615126      1.30486265     -0.00235814
+C      4.96157978      2.50016737     -0.00066194
+C      5.63803492      3.51290978      0.00203930
+H      2.90099190     -0.95696849     -0.00269110
+H      2.23104595      2.11700424     -0.07359057
+H      4.79096470      0.37055668      0.03009243
+H      6.22476519      4.40914476      0.00409704 
+
+8
+-988.8337753920307 10.895841 10.58262 -10.2085 -8.066 -9.584 -1.1304 -2.8977 -1.239 9.79087 1.9092 2.7784394698 8.3211840054 0.940133601
+O      0.93909485     -0.11331521      0.00000000
+C      2.16000203     -0.01523426      0.00000000
+C      2.86423483      1.23669802      0.00000000
+C      3.51257185      2.27920620      0.00000000
+C      4.21152711      3.43858735      0.00000000
+C      4.84310161      4.48338156      0.00000000
+H      2.82134718     -0.91380558      0.00000000
+H      5.39489055      5.40133192      0.00000000 
+
+12
+-1287.4712760785885 9.53191 10.48646 -9.8677 -7.5788 -10.017 1.0244 -1.05 -0.163 10.16956 0.80346 3.6608850276 10.774321407 0.427166893
+O      2.69304586     -1.18125331     -0.42774520
+C      2.19336387     -0.10816885     -0.14405529
+C      2.96348874      1.15900183      0.12545784
+C      4.48529216      0.99563616      0.01250909
+C      5.20335955      2.23485022      0.27688182
+C      5.78995402      3.27396840      0.49970473
+H      1.08030092      0.00114124     -0.06474224
+H      2.67199571      1.52075830      1.12749352
+H      2.59008088      1.93177256     -0.56972865
+H      4.73783691      0.62304960     -0.99292765
+H      4.82022023      0.21191474      0.71042903
+H      6.31306115      4.18755911      0.69518300 
+
+14
+-1430.1602261129892 10.57609 10.97317 -9.6591 -7.4036 -9.333 1.1669 -0.5035 0.838 8.84128 -0.3696 6.2837220674 6.2837220674 0.708264781
+O      1.06963311     -0.12541259      0.11791250
+C      2.47260795      0.09742913     -0.09656101
+C      2.86858974     -0.49457093     -1.42408620
+C      2.02553475     -1.05591898     -2.29571643
+C      2.78891011      1.57320806     -0.05022933
+C      3.63202371      2.13328733      0.82473259
+H      0.82867032      0.35858849      0.92609574
+H      3.06391560     -0.41054135      0.69421553
+H      3.93819757     -0.42787954     -1.64415738
+H      0.95949179     -1.12799484     -2.07894315
+H      2.38659107     -1.46170037     -3.24126734
+H      2.26100688      2.18169221     -0.79215540
+H      4.16359643      1.53047472      1.56608562
+H      3.82733097      3.20658866      0.82687426 
+
+12
+-1270.2176014462502 9.773574 10.36172 -10.0483 -7.759 -9.827 1.112 -0.4214 1.177 9.31107 -0.59246 4.3676796192 10.8389429102 0.46278698
+O      0.97857431     -0.01808273      0.27024245
+C      2.39089731      0.01276998     -0.03423903
+C      2.57289043     -0.75228791     -1.32458350
+C      3.29223277     -0.34970012     -2.37338342
+C      2.91529406      1.37976062     -0.06213081
+C      3.33072252      2.51997750     -0.03463284
+H      0.84612014      0.51581362      1.07398506
+H      2.94283630     -0.53861747      0.75666151
+H      2.06159490     -1.71901988     -1.32513021
+H      3.80000049      0.61687636     -2.37781539
+H      3.39287106     -0.97954024     -3.25764946
+H      3.69660571      3.52653027     -0.01687435 
+
+10
+-1108.6101013130035 9.427732 10.28949 -10.4703 -8.0587 -9.747 1.0289 -0.5862 1.657 9.45617 -1.38133 4.3792351144 10.663849881 0.994861056
+O      0.95550420     -0.03321888      0.02971251
+C      2.39684034     -0.00441277     -0.00999940
+C      2.84712272     -0.77698465     -1.17143107
+C      3.25277918     -1.43486802     -2.10401189
+C      2.92149011      1.36830873     -0.03333864
+C      3.31920252      2.51317153      0.01289647
+H      0.68260626      0.64257637      0.67703226
+H      2.80443211     -0.50120496      0.89534838
+H      3.60112481     -2.01173187     -2.93646516
+H      3.67578775      3.52320452      0.02840654 
+
+14
+-1434.8451940082814 11.673237 11.57247 -8.6921 -6.6621 -8.457 0.5574 -1.0384 0.276 7.98485 0.26566 5.128618897 5.128618897 0.827767339
+O      1.81671977     -0.67415425     -1.17139600
+C      2.72920382     -0.36996289     -0.09967206
+C      2.85941472      1.11301056      0.01216194
+C      4.03311826      1.77588795     -0.00495989
+C      4.16384003      3.21297757      0.14671187
+C      5.33794587      3.87243001      0.13825612
+H      1.58365564     -1.61566885     -1.10319347
+H      3.72122566     -0.82607895     -0.27639366
+H      2.33809836     -0.77387097      0.85529225
+H      1.92124645      1.66717683      0.12639192
+H      4.96280609      1.20893547     -0.13846010
+H      3.23301717      3.77733371      0.27169401
+H      6.28534662      3.34184136      0.01666060
+H      5.38522154      4.95547244      0.25094647 
+
+12
+-1275.9557952384507 10.856591 11.17686 -9.1696 -6.9971 -8.691 0.4371 -1.1602 0.48 8.29883 0.07436 4.0871612942 5.9816053812 0.450015474
+O      1.67102054     -0.32140845      1.46425365
+C      2.37563796     -0.05889995      0.23926285
+C      2.88355774      1.34493446      0.26933674
+C      4.16862699      1.67539505      0.02711554
+C      4.66572982      3.00150766     -0.01096924
+C      5.13054296      4.12617050     -0.05199831
+H      1.16196610     -1.14087606      1.34301058
+H      1.69171259     -0.17107084     -0.62545969
+H      3.21535958     -0.76469378      0.09712331
+H      2.14780015      2.12536694      0.48233522
+H      4.89681367      0.87846164     -0.16371954
+H      5.52930190      5.11933284     -0.08340112 
+
+14
+-1433.9753309726364 10.871757 10.85542 -8.7812 -6.7121 -8.609 0.6409 -0.943 0.276 8.06603 0.2362 5.2630941126 5.2630941126 0.753977549
+O      0.83083094      0.00687300     -0.00755081
+C      2.25853447      0.03986200      0.00645482
+C      2.75373432      1.46511855      0.01749469
+C      1.89892693      2.50767104      0.00550993
+C      4.19990900      1.68569217      0.04131089
+C      5.15737499      0.73924153      0.05924917
+H      0.55897498     -0.92456841     -0.00627653
+H      2.67377661     -0.47245527     -0.88341036
+H      2.65647231     -0.48090877      0.89906437
+H      0.82168105      2.35241679     -0.01124049
+H      2.27518329      3.53176605      0.01345728
+H      4.50368572      2.73779528      0.04481069
+H      4.93050042     -0.32837038      0.05716598
+H      6.21249497      1.01216643      0.07685038 
+
+12
+-1276.27323573064 10.233999 10.39881 -9.4859 -7.3154 -8.999 0.3805 -1.2479 0.383 8.53925 0.14913 4.0622525068 6.0929076134 0.457489514
+O      2.66209551     -0.72661036      1.19891950
+C      2.26782670     -0.02366819      0.02106800
+C      2.78653857      1.40569017     -0.02439248
+C      1.97098994      2.46975281     -0.16032542
+C      4.20219973      1.53469677      0.08406439
+C      5.41425714      1.53524183      0.20329822
+H      3.63571558     -0.68594551      1.24714376
+H      1.16927834     -0.01394004      0.02105135
+H      2.60841529     -0.55444849     -0.88884576
+H      0.89058391      2.33446092     -0.22502102
+H      2.36235690      3.48535075     -0.21386316
+H      6.48011237      1.58070933      0.29835263 
+
+12
+-1276.724198390615 11.027227 11.61686 -8.9536 -6.7802 -8.543 0.704 -0.9241 0.588 8.13248 -0.05312 3.9531944212 11.4335673676 0.514280935
+O      0.96611093     -0.10270116     -0.00842502
+C      2.40238918     -0.04312337     -0.00029662
+C      2.84317606      1.34183946     -0.00030867
+C      3.23181263      2.49785114      0.00000394
+C      3.72304706      3.82676498      0.00029340
+C      2.95486896      4.93376062     -0.00011164
+H      0.72049553     -1.04437147     -0.00794696
+H      2.82489640     -0.55275880     -0.88835084
+H      2.81463702     -0.54940889      0.89448196
+H      4.81355583      3.93096781      0.00075440
+H      1.86636240      4.87010100     -0.00063069
+H      3.40929802      5.92403867     -0.00000327 
+
+10
+-1121.2436033948652 10.966062 11.3928 -9.4141 -7.2043 -8.777 0.5073 -1.1523 0.919 8.56848 -0.52544 3.2312115446 8.006271964 1.930128911
+O      0.97525526     -0.00731728     -0.00791053
+C      2.41019371      0.03406313      0.00122339
+C      2.86696484      1.41241079      0.00057774
+C      3.30019344      2.55539168      0.00030195
+C      3.77465821      3.82875474     -0.00011434
+C      4.20187190      4.97223009     -0.00037042
+H      0.71633932     -0.94551456     -0.00734715
+H      2.83094722     -0.47709098     -0.88662764
+H      2.81943531     -0.47245716      0.89707864
+H      4.57319078      5.97609955     -0.00069164 
+
+16
+-1573.465428099517 10.461781 11.32245 -9.701 -7.3989 -9.594 1.3105 -0.0015 1.274 9.06567 -0.72338 6.6598211998 6.6598211998 0.440832746
+O      0.52459087      0.16799342     -0.42299002
+C      1.89174239     -0.27130937     -0.43062802
+C      2.77207532      0.94046990     -0.16226330
+C      4.27582613      0.61450813     -0.18811814
+C      4.71618132     -0.30860360      0.91266296
+C      5.36419785     -1.46702763      0.74333067
+H     -0.04052365     -0.61344823     -0.54106343
+H      2.15704223     -0.71372939     -1.41124041
+H      2.06364647     -1.04386672      0.34100366
+H      2.49523623      1.36876685      0.81543137
+H      2.54849521      1.70901370     -0.91874817
+H      4.82875340      1.56552163     -0.09401146
+H      4.55624541      0.18601666     -1.16525106
+H      4.47899916      0.02124144      1.93220265
+H      5.62025654     -1.83555363     -0.25369065
+H      5.66480512     -2.08278316      1.59238334 
+
+14
+-1417.752251568292 9.921796 10.94532 -10.1217 -7.6708 -9.906 0.9691 -0.0401 2.29 9.50839 -1.87865 4.3577731378 10.446316444 0.468564052
+O      0.83910679      0.05117189     -0.06737687
+C      2.25471031     -0.15420564     -0.18166743
+C      2.93657042      1.18107327      0.07510869
+C      4.47429126      1.09129510      0.01748080
+C      4.99931623      0.72156329     -1.29341865
+C      5.42670120      0.42147270     -2.38979536
+H      0.39608011     -0.78252685     -0.29641705
+H      2.52431317     -0.52370384     -1.18717499
+H      2.60396029     -0.90045030      0.55881717
+H      2.64005868      1.54681161      1.07028614
+H      2.57805192      1.91403739     -0.66329719
+H      4.83320336      0.36387170      0.76643028
+H      4.90231589      2.06398104      0.30914614
+H      5.80609038      0.15721864     -3.35546167 
+
+16
+-1525.8142174504965 9.319428 10.20042 -9.5739 -7.265 -11.787 0.8129 -0.2467 2.92 11.18091 -2.68339 9.7592604236 10.5887515608 0.118514168
+O      2.24966019     -0.97276632      0.99425415
+C      2.11177346     -0.03994328     -0.10487871
+C      2.93776331      1.20999841      0.17278400
+C      4.46516308      1.09217286      0.02551616
+C      5.20437808      0.30029753      1.11025304
+O      5.02030638     -1.11072961      1.04349702
+H      1.72931441     -1.76711141      0.78513516
+H      1.04874095      0.23878267     -0.20705854
+H      2.44051510     -0.51224217     -1.04866147
+H      2.68045094      1.57940168      1.18088141
+H      2.58048795      1.97677222     -0.53447405
+H      4.87980919      2.11515879      0.02748132
+H      4.71333474      0.65611895     -0.95784562
+H      4.91896337      0.69331952      2.10835132
+H      6.28692682      0.46690991      0.99576669
+H      4.05465204     -1.26526975      1.14963810 
+
+10
+-1121.9014448335558 9.279637 9.04076 -10.1303 -8.0768 -11.194 -1.5236 -3.4038 -2.284 10.6545 2.49118 3.1080686494 5.2007911476 0.838567756
+O      1.23430692     -0.49659078     -0.34225824
+C      2.38545863     -0.22781952     -0.03437791
+C      2.97502550      1.11612660     -0.18096740
+C      4.25201114      1.37655008      0.17010660
+C      4.84155412      2.72050429      0.02348990
+O      5.99263831      2.98935628      0.33155090
+H      3.07326773     -1.00413868      0.38578205
+H      2.32353986      1.89504899     -0.59014468
+H      4.90349211      0.59765178      0.57933848
+H      4.15371568      3.49680097     -0.39666970 
+
+8
+-953.8931332138155 8.730202 9.07646 -10.6641 -8.5934 -11.192 -1.6498 -3.65 -2.159 10.64668 2.34212 3.0278125116 11.2263991602 0.72362024
+O      0.93071893     -0.05537692      0.00000000
+C      2.14995950      0.00211133      0.00000000
+C      2.88893459      1.24805185      0.00000000
+C      3.53577731      2.28420177      0.00000000
+C      4.33071721      3.49519426      0.00000000
+O      3.84711920      4.61589659      0.00000000
+H      2.78509861     -0.91329737      0.00000000
+H      5.43204467      3.32639850      0.00000000 
+
+12
+-1261.2831818860602 8.331001 9.04127 -9.8321 -7.5709 -11.051 0.8201 -1.2845 -0.519 10.59316 1.12954 3.6747466624 11.9205471798 0.164687151
+O      2.56356312     -1.16104297     -0.59194958
+C      2.11973618     -0.06846863     -0.29081509
+C      2.95865465      1.14673917      0.02897579
+C      4.47023837      0.90050596      0.07331269
+C      4.91748586      0.22855992      1.35350674
+O      5.90262170      0.55419718      1.98837975
+H      1.01419447      0.10784873     -0.25088126
+H      2.57671125      1.58344351      0.96913938
+H      2.71103092      1.89944464     -0.74114165
+H      5.04101427      1.82998144     -0.04968086
+H      4.73720056      0.21729426     -0.75223087
+H      4.27104865     -0.61967319      1.69609496 
+
+12
+-1250.8961461990884 8.878408 9.27975 -10.0444 -7.806 -10.145 0.3319 -1.6141 -0.507 9.67199 1.11702 3.680214445 6.7764176342 0.280240055
+O      1.41198532     -0.23729058      0.25327103
+C      2.68553610      0.29272264     -0.04257177
+C      3.14969524     -0.08468040     -1.42832334
+C      4.37548851     -0.53544263     -1.71416755
+C      2.66891787      1.81190515      0.08630360
+O      1.65398147      2.41228520      0.39431971
+H      0.85916377      0.54247227      0.48817619
+H      3.44097908     -0.06041136      0.69313551
+H      2.40096123      0.05403148     -2.21414120
+H      5.12201534     -0.69784224     -0.93277327
+H      4.67108131     -0.76754242     -2.73766992
+H      3.63115474      2.33505289     -0.11933899 
+
+14
+-1380.3975616391212 9.638314 10.40736 -9.7963 -7.5319 -9.548 1.0014 -0.488 1.119 9.03006 -0.52431 6.4363488334 6.4363488334 0.386921148
+O      2.57765194     -0.93237483      1.25549265
+C      2.68363047     -0.26491879     -0.01538595
+C      3.05145231      1.16332284      0.23143286
+C      4.09648290      1.78646839     -0.33018456
+C      4.44966214      3.22168530     -0.08601518
+O      5.77165127      3.36390840      0.46342119
+H      2.16175113     -1.79761355      1.10230623
+H      1.71349842     -0.30425119     -0.54825569
+H      3.44288226     -0.74578534     -0.65959108
+H      2.39095225      1.71153724      0.91366085
+H      4.77242457      1.23225934     -0.99214389
+H      3.69166778      3.69611990      0.56447185
+H      4.47674151      3.78410851     -1.03265607
+H      5.80466105      2.81162378      1.26558680 
+
+12
+-1252.4455870688912 9.462177 9.80508 -9.5903 -7.517 -10.278 -0.1488 -1.9423 -0.862 9.5949 1.4281 3.4339658504 5.4165515848 0.582152369
+O      2.22745959     -0.68157425      1.41132801
+C      2.66392883     -0.18625085      0.14085114
+C      3.16347349      1.20871132      0.32378479
+C      4.21577740      1.75055504     -0.31643274
+C      4.57837446      3.15792421     -0.10930946
+O      5.50336164      3.72593521     -0.67405586
+H      1.78578788     -1.53497719      1.26526022
+H      1.81941524     -0.15394640     -0.57782676
+H      3.45157248     -0.82374090     -0.30061987
+H      2.58361359      1.82443522      1.02237599
+H      4.83647638      1.17754669     -1.01165540
+H      3.93153903      3.70110190      0.62889993 
+
+14
+-1380.6397546777591 9.300254 9.93738 -9.6782 -7.392 -9.437 1.0536 -0.2042 1.255 8.8665 -0.65108 6.4877410304 6.4877410304 0.407399177
+O      0.76607479      0.01730245      0.01372145
+C      2.18612130      0.04667922     -0.13227125
+C      2.71053517      1.44873501      0.02135662
+C      1.91194846      2.51212075      0.18847829
+C      4.21302099      1.57966243     -0.00945635
+O      4.85179261      0.92621118      1.10471667
+H      0.48361205     -0.90965339     -0.03982977
+H      2.49026201     -0.32764588     -1.13198382
+H      2.68343371     -0.59994786      0.61478959
+H      0.82817039      2.40398038      0.22306171
+H      2.33323471      3.51462405      0.28723242
+H      4.48970876      2.64773023     -0.05650719
+H      4.63331318      1.08524253     -0.90021465
+H      4.48924188      1.33208889      1.91316628 
+
+12
+-1253.5321216136392 8.975284 9.28229 -9.7387 -7.631 -10.16 -0.0416 -1.8837 -0.914 9.84769 1.47912 3.43131255 5.2873333756 0.450861174
+O      0.97021951      0.04595594     -0.06074893
+C      2.39162096      0.07633385      0.05834048
+C      2.87247247      1.49802468      0.03162809
+C      2.06587780      2.56853718     -0.08736376
+C      4.32910972      1.71441433      0.14489410
+O      5.15518796      0.81815405      0.25739297
+H      0.69153428     -0.88355787     -0.04001545
+H      2.88444255     -0.47559390     -0.76382936
+H      2.73480102     -0.39170513      0.99996668
+H      0.98548501      2.45996137     -0.17364804
+H      2.48982398      3.57493187     -0.09912170
+H      4.63966473      2.79043363      0.12007491 
+
+12
+-1222.2557413766694 9.242056 10.47192 -9.7949 -7.4164 -9.48 0.9142 -0.4814 2.073 9.10754 -1.67564 4.1783529972 10.0465731814 0.543822906
+O      0.96304779     -0.03512127     -0.04596491
+C      2.39984693     -0.02529351     -0.00039272
+C      2.87869089      1.35072238      0.00525315
+C      3.31352003      2.48592445      0.02774292
+C      3.78831976      3.86651944     -0.01302699
+O      2.75941969      4.80844643     -0.34899737
+H      0.68475101     -0.96754855     -0.03976538
+H      2.82654249     -0.55477481     -0.87382177
+H      2.77203976     -0.53377261      0.90977640
+H      4.63732825      3.93735519     -0.72020616
+H      4.16280049      4.17357715      0.97594461
+H      2.24644292      4.42436572     -1.08261179 
+
+10
+-1089.7179930318912 9.111196 9.87304 -10.0561 -7.992 -10.458 -0.1582 -2.0714 -0.73 9.82617 1.3088 3.5370230136 10.5794526108 0.862123665
+O      0.95925437     -0.05884990     -0.00915021
+C      2.38824871     -0.00977300     -0.00070601
+C      2.84664924      1.36744341     -0.00040727
+C      3.25664193      2.51643236     -0.00011804
+C      3.80099529      3.84718216      0.00028337
+O      3.12947270      4.87054749     -0.00270712
+H      0.70135530     -0.99718880     -0.00935992
+H      2.81974397     -0.51411951     -0.88757313
+H      2.80907877     -0.51084277      0.89314654
+H      4.91735972      3.88098858      0.00377179 
+
+14
+-1393.995178061228 8.766675 9.6332 -9.6872 -7.4269 -11.011 1.3074 -0.7712 -0.027 10.12596 0.63656 3.6958490796 8.1243810276 0.152828043
+O      2.61975391     -0.72184208     -1.28321601
+C      2.23845698     -0.10655410     -0.03866636
+C      2.89914474      1.26467092      0.03116107
+C      4.42609997      1.20068941      0.02905336
+C      5.05954508      0.75090443      1.32035331
+O      4.46117650      0.48883448      2.34936273
+H      2.26899825     -1.62743741     -1.28945078
+H      2.55706323     -0.72302885      0.81931652
+H      1.14112631      0.01450384      0.01416776
+H      2.54996619      1.76976716      0.94457504
+H      2.55895492      1.86087361     -0.82934183
+H      4.87404101      2.18457336     -0.20382730
+H      4.79221024      0.53295680     -0.77139085
+H      6.17870267      0.67681843      1.28324334 
+
+8
+-954.2030436289243 7.977656 8.28289 -10.1852 -8.0448 -11.188 -1.4385 -3.4752 -2.251 10.39202 2.5705 2.714735463 10.8727414938 0.327755661
+O      2.63346571     -0.98332042      0.52608112
+C      2.14421166      0.02290650      0.06397794
+C      2.93631593      1.30682198     -0.26847357
+O      2.33009143      2.26564048     -0.73358365
+C      4.35115404      1.28885908     -0.00545587
+C      5.54282324      1.24046122      0.22823043
+H      1.05895078      0.13799680     -0.17572307
+H      6.59557722      1.21256436      0.42938668 
+
+10
+-1086.5583565695053 8.299812 8.90471 -9.9038 -7.6268 -10.236 0.6095 -1.4435 -0.319 9.91088 0.96712 3.6294917724 10.7939359922 0.417774777
+O      1.06267160     -0.13683035      0.39017095
+C      2.42943559     -0.00581669     -0.01831751
+C      2.64921673     -0.71464585     -1.38298703
+O      3.60700601     -0.55727280     -2.10273346
+C      2.90773834      1.36822686     -0.01910617
+C      3.24281712      2.53335666     -0.05712934
+H      0.57733343      0.62812155      0.03026441
+H      3.01553095     -0.60231771      0.70767482
+H      1.81684464     -1.42778230     -1.61533807
+H      3.54976557      3.55933062     -0.08259860 
+
+12
+-1257.8693273444676 8.953377 9.31636 -10.0836 -8.0612 -10.761 -0.4012 -2.2202 -0.858 9.75231 1.45503 3.547487432 5.6616471096 0.40189809
+O      0.95201802     -0.33167364      0.11606459
+C      2.29323437     -0.46479984      0.50227657
+C      3.09520007      0.78110319      0.17287732
+O      2.52416098      1.72605744     -0.37278990
+C      4.53287373      0.78073457      0.53427948
+C      5.32709539      1.83046745      0.27722275
+H      0.90571171      0.57009059     -0.28005878
+H      2.77378733     -1.32787969     -0.00260120
+H      2.38128901     -0.65458344      1.59149781
+H      4.92307765     -0.11693339      1.02290138
+H      4.91791140      2.71677887     -0.21210341
+H      6.38394033      1.82895790      0.54390339 
+
+10
+-1095.858175815978 8.529343 9.00142 -10.6555 -8.312 -11.1 -0.4897 -2.3669 -0.899 10.0206 1.48713 3.6149606132 11.105364027 0.331113886
+O      1.61246045     -0.79076111     -0.71611658
+C      2.35127450     -0.14219855      0.28420753
+C      2.02379799      1.33975331      0.33300104
+O      1.20087869      1.81294096     -0.44926165
+C      2.71390502      2.13314018      1.31981215
+C      3.31576969      2.76573534      2.16529944
+H      1.06664690     -0.08055532     -1.12535450
+H      3.44119993     -0.24708498      0.11597829
+H      2.14508282     -0.57250978      1.28401826
+H      3.83538400      3.34418996      2.90347602 
+
+14
+-1380.8508046046838 9.311977 10.0055 -9.8172 -7.5416 -9.723 0.8515 -0.2549 1.262 9.19426 -0.71209 6.7529470844 6.7529470844 0.43619931
+O      2.85214131     -0.76142363      1.14068244
+C      2.40124126     -0.08325084     -0.04634509
+C      2.97385586      1.33547296      0.00655659
+O      2.53767806      1.98851692      1.21028317
+C      4.47732968      1.35357130     -0.11121298
+C      5.14045733      1.97782961     -1.08954129
+H      2.33574539     -1.57644570      1.24408021
+H      1.29941235     -0.01935715     -0.06389571
+H      2.75223704     -0.59963988     -0.95729308
+H      2.53910781      1.90993063     -0.82818771
+H      2.66739018      1.33287608      1.92351379
+H      5.02268366      0.81896192      0.67323683
+H      4.61301302      2.52187029     -1.87802487
+H      6.23046705      1.97205749     -1.13842229 
+
+12
+-1220.8280065580045 8.869358 9.73028 -10.302 -7.9527 -10.106 0.9206 -0.2283 1.97 9.72949 -1.59164 4.3830166874 10.6352215136 0.336097256
+O      0.95992559     -0.00617313     -0.20781574
+C      2.36940430     -0.04633013     -0.00430548
+C      2.88079822      1.40259043      0.04310423
+O      2.37247642      2.13817902      1.16258141
+C      4.34575880      1.41725735     -0.00506349
+C      5.55968169      1.40867252      0.01369131
+H      0.62137937     -0.91494060     -0.15433016
+H      2.88834582     -0.56915358     -0.82909230
+H      2.63659341     -0.54875232      0.94487370
+H      2.47652807      1.92284122     -0.84184646
+H      2.86866422      1.84812450      1.94994623
+H      6.63080408      1.42053472      0.01960676 
+
+14
+-1376.053751204791 9.370252 10.15248 -8.9812 -6.7782 -9.519 0.9563 -0.1271 1.176 9.0703 -0.70373 6.43053389 6.43053389 0.354756425
+O      0.35664874      0.13406287      0.36473958
+C      1.65601070     -0.39307533      0.07958187
+C      2.58237962      0.80391691     -0.06587996
+O      3.88972242      0.29309473     -0.35220885
+C      4.87506350      1.22107556     -0.51989984
+C      4.77804783      2.55739300     -0.45110913
+H     -0.25566812     -0.61303675      0.46367887
+H      1.66309334     -0.97767322     -0.85775905
+H      2.02169351     -1.04199889      0.89541526
+H      2.59764879      1.39256415      0.86760699
+H      2.23870491      1.45700186     -0.88656766
+H      5.82033494      0.71672776     -0.73177075
+H      3.85021991      3.08607345     -0.24196070
+H      5.67542991      3.15074389     -0.61306664 
+
+12
+-1258.1687028327071 8.2662 9.09183 -10.3219 -8.1392 -11.678 1.8285 -0.2402 -0.156 10.80753 0.68109 4.3781068418 11.9152033832 0.277672385
+O      2.20392095      2.87902050     -0.62922577
+C      2.43313684      2.21925021     -1.61863927
+O      3.48977921      1.38884054     -1.81193509
+C      4.42747785      1.30981952     -0.72750112
+C      5.59779467      0.41382089     -0.97000933
+C      5.78094599      1.92180893     -0.94004217
+H      1.79863048      2.18244652     -2.52564350
+H      3.95502282      1.36758181      0.25212153
+H      5.65107215     -0.07017824     -1.94514447
+H      5.96318258     -0.18402727     -0.13529325
+H      6.26884463      2.38538512     -0.08270372
+H      5.95168181      2.41597147     -1.89634383 
+
+12
+-1270.466127852311 8.162938 8.95171 -10.0446 -7.9506 -11.312 0.7339 -0.3892 0.056 10.21629 0.53199 4.3090342412 11.4833601452 0.279777677
+O      1.07501828      0.36875446     -0.67818007
+C      2.24892375      0.08940585     -0.01576873
+O      2.38372641     -0.98799075      0.52268976
+C      3.30367838      1.14783414      0.00124706
+C      3.54205468      2.07107855     -1.18495130
+C      2.96204893      2.62898422      0.07788685
+H      1.10708216      1.26627088     -1.06030433
+H      4.18389492      0.81798553      0.55132861
+H      2.89897239      1.95726260     -2.05919727
+H      4.58046339      2.29548245     -1.42658806
+H      3.59575479      3.24265624      0.71730281
+H      1.90793191      2.91048583      0.09849467 
+
+10
+-1101.310711688441 8.429303 9.12566 -10.7407 -8.2248 -10.193 1.6715 -0.4435 -0.304 10.05526 0.83125 4.366414962 10.7023723312 0.628894213
+O      3.00506797     -1.05333349     -0.76219695
+C      2.46572324      0.00362837     -1.00802481
+O      2.98578022      1.23484530     -0.79183759
+C      4.32891847      1.21852495     -0.20574134
+C      4.78006972      2.58443840     -0.02660625
+C      5.20107629      3.70866796      0.14023130
+H      1.45792347      0.12504576     -1.45019241
+H      4.99974664      0.65845764     -0.87484829
+H      4.28975886      0.67930733      0.75297269
+H      5.56449511      4.70584778      0.28472365 
+
+12
+-1273.2195113606413 8.714454 9.17068 -9.9569 -7.8279 -10.248 0.8192 -0.9293 -0.007 10.25865 0.59173 4.27317749 6.4836866882 0.254031595
+O      2.66525924     -0.98715010     -1.23690745
+C      2.16373183     -0.09720900     -0.33407099
+O      1.00063002     -0.13052175     -0.00351046
+C      3.16142475      0.95836477      0.17503296
+C      4.59615271      0.51776424      0.16965540
+C      5.50300621      0.88396037     -0.74744645
+H      3.62557609     -0.80415798     -1.33953750
+H      2.82356159      1.24191580      1.18066029
+H      3.02720100      1.83976622     -0.47304556
+H      4.89157939     -0.17957756      0.96126794
+H      5.25445223      1.58606692     -1.54805447
+H      6.52638492      0.50733807     -0.71832370 
+
+10
+-1116.9206210784391 8.198771 8.77631 -10.2401 -8.1025 -10.552 1.6141 -0.2673 -0.014 10.36873 0.64974 4.2690983506 10.6919575072 0.542210277
+O      2.78207326     -0.93382539      0.96271639
+C      2.15710671      0.02592701      0.24081901
+O      0.97465784     -0.02022650     -0.00545697
+C      3.04391744      1.19247108     -0.25495246
+C      4.44356594      1.10270182      0.12504355
+C      5.59156412      0.93676195      0.48629305
+H      3.73331537     -0.68872091      1.03582301
+H      2.58893034      2.11822927      0.12925509
+H      2.93424575      1.22693389     -1.34959759
+H      6.61340321      0.82627779      0.78968692 
+
+11
+-1155.2921962918385 7.992356 8.41051 -9.2411 -7.1179 -10.2 1.2587 -0.4761 0.395 9.801 0.16956 5.4648441318 11.929065018 0.182224901
+C      0.38182528      1.49847429      0.49824296
+C      0.88232062      0.35205579     -0.32094402
+O      0.90507514     -0.93628720      0.29409013
+N     -0.42188530     -1.31756394      0.61239105
+C     -1.22872430     -0.40693577      0.17421476
+C     -0.57738674      0.76546373     -0.44153044
+H      0.69904510      2.49188735      0.18305654
+H      0.25394255      1.35613237      1.57167825
+H      1.64041316      0.46290858     -1.09619476
+H     -2.30030762     -0.56708973      0.28924132
+H     -1.01757789      1.27622452     -1.29793579 
+
+15
+-1456.2063833011969 9.259348 9.83333 -8.4791 -6.331 -9.94 0.953 -0.0015 3.147 9.31241 -3.01004 7.9586117456 11.928321102 0.120945522
+C      0.70739369      1.20770224     -0.21918417
+C     -0.74650530      1.17760050      0.24963728
+O     -1.41939383      0.00183190     -0.21651769
+C     -0.74802141     -1.18031564      0.23536652
+C      0.70584159     -1.20658443     -0.23384440
+N      1.45726920     -0.00222996      0.15140203
+H      0.72821264      1.29299730     -1.31928579
+H      1.22354927      2.09005883      0.19075343
+H     -1.31800600      2.03132380     -0.14481532
+H     -0.78637587      1.21293445      1.35964837
+H     -0.78789025     -1.22904807      1.34487393
+H     -1.32058347     -2.02850397     -0.16936228
+H      1.22086731     -2.09454329      0.16525257
+H      0.72649286     -1.27850021     -1.33491014
+H      1.59504958     -0.00849347      1.16747567 
+
+13
+-1300.1347109023613 8.809599 9.11305 -9.1978 -7.1173 -10.422 1.1354 -0.2551 0.472 9.96048 0.1194 5.1197910938 6.463204201 0.222893914
+C      0.40861283      1.43573062      0.29467027
+C      1.33157912      0.32916750     -0.19104157
+O      0.99195904     -0.94960889      0.39297553
+N     -0.36145140     -1.32546385      0.32828996
+C     -1.23368173     -0.41534953      0.05905776
+C     -1.01607520      1.06156378     -0.11723577
+H      0.71254334      2.40362937     -0.12913869
+H      0.48445332      1.51256485      1.38988107
+H      2.37820687      0.48609789      0.10153022
+H      1.27813384      0.23418111     -1.29169764
+H     -2.25396489     -0.81074221      0.02004356
+H     -1.21417472      1.34160258     -1.16650213
+H     -1.76623040      1.59912679      0.48453743 
+
+13
+-1288.0915295252528 8.676997 9.72568 -9.6946 -7.4915 -11.246 0.9822 -0.0382 2.686 10.58524 -2.34441 8.7686370808 11.7230994748 0.170318166
+C      0.07452397      0.87851478     -0.10922874
+N     -0.74618642     -0.33795153      0.07244558
+C      0.73019748     -0.45256201     -0.00480558
+C      1.45257851     -0.88619190      1.24324957
+C      1.12431622     -2.16012700      1.90487245
+O      2.31632792     -2.03704710      1.10390245
+H      0.08152873      1.38296770     -1.07852539
+H      0.08464804      1.54516092      0.75723187
+H     -1.15800025     -0.61328348     -0.82496035
+H      1.16404359     -0.86812032     -0.91986731
+H      1.88459293     -0.08559004      1.85685952
+H      0.33061856     -2.77857681      1.47467407
+H      1.29369070     -2.27235323      2.98081186 
+
+13
+-1315.1107576058325 8.448925 9.04977 -9.08 -6.8784 -10.217 1.0055 0.0943 2.879 9.57846 -2.69485 8.1149580916 11.0362046362 0.194500825
+C      0.61057110      1.32747883     -0.03491489
+N     -0.78420034      1.38794560     -0.52436594
+C     -1.44382233      0.14838544     -0.05846826
+C     -0.33660287     -0.88157851      0.10094936
+O      0.55604034     -0.93710888     -1.03859211
+C      0.93875433     -0.14962174      0.11543779
+H      1.27929128      1.86004642     -0.72601547
+H      0.69564174      1.81019740      0.95593146
+H     -0.74558274      1.34105766     -1.54397706
+H     -1.92071203      0.30864209      0.92576623
+H     -2.22861056     -0.15346688     -0.76634974
+H     -0.49246082     -1.82368434      0.63469145
+H      1.82167291     -0.49555309      0.66093719 
+
+13
+-1310.1139042994846 8.57029 9.16698 -9.3234 -7.1039 -10.755 0.845 -0.1117 3.049 10.23711 -2.86929 8.3465143452 11.8727381782 0.229105055
+C      0.67753224      1.20861619     -0.29418554
+O     -0.61354842      1.12596926     -0.92089188
+C     -1.36278455      0.05978204     -0.31399159
+C     -0.33924344     -0.89573846      0.25785732
+N      0.72049440     -1.24649826     -0.72056746
+C      0.95535934     -0.16671254      0.27058139
+H      1.39142278      1.52435286     -1.06996591
+H      0.68068812      1.95254141      0.52745345
+H     -2.01250714      0.43596505      0.50139407
+H     -1.99145411     -0.38033853     -1.10281523
+H     -0.62012213     -1.59445950      1.04845729
+H      1.19556546     -2.09576066     -0.39656832
+H      1.68662746     -0.29542887      1.07110241 
+
+11
+-1157.0747080698902 8.696286 8.58514 -9.0341 -6.9513 -9.322 0.043 -1.7093 -0.412 8.85488 0.90511 4.5053288764 6.8681052812 0.347725572
+C      0.26503470     -1.34487223      0.08199207
+O     -0.93685654     -0.81901781     -0.54662021
+N     -1.28900351      0.48020542     -0.15782371
+C     -0.29932487      1.25726359      0.17504566
+C      1.10020201      0.90806494      0.00312815
+C      1.40722439     -0.39643737     -0.11959680
+H      0.41699163     -2.31883449     -0.39967485
+H      0.05246805     -1.50594462      1.15877304
+H     -0.60932366      2.26506243      0.45982580
+H      1.83450035      1.70640018     -0.10985303
+H      2.40949745     -0.75886004     -0.35125611 
+
+11
+-1187.3319693384913 8.543452 8.92583 -9.4619 -7.3984 -9.3 1.1702 -0.5547 -0.121 8.66925 0.66731 4.7920093056 11.783815419 0.421413195
+C      0.96986338     -0.03372929     -0.00719730
+C      2.44928045      0.11090513      0.00036064
+C      3.29747022      1.18633414      0.00243518
+C      4.59183334      0.60066558      0.01011939
+N      4.55378946     -0.71759831      0.01210808
+O      3.17655617     -1.03695716      0.00626239
+H      0.49490911      0.95372087      0.00053062
+H      0.62650843     -0.59524025      0.87330719
+H      0.63348538     -0.57769036     -0.90141352
+H      3.03322705      2.23792667     -0.00079490
+H      5.56250701      1.09202298      0.01407223 
+
+13
+-1304.990439065043 8.768229 9.20025 -9.1409 -7.0319 -10.294 1.3873 -0.2452 0.453 9.89514 0.12247 5.4218953814 6.1870625818 0.178874282
+C      0.96909005      0.00021212      0.04800465
+C      2.48466631     -0.03841592     -0.06907515
+C      3.03353908     -1.25670336     -0.83180897
+C      3.46073453     -0.60310741     -2.11589587
+N      3.40537248      0.68127452     -2.11051085
+O      2.92764218      1.12625246     -0.87257548
+H      0.64014829      0.95428675      0.48019352
+H      0.61478727     -0.81470357      0.69657463
+H      0.50294323     -0.11144334     -0.94159545
+H      2.95865474      0.08483546      0.91575467
+H      2.26883436     -2.03296439     -0.98851455
+H      3.89045974     -1.73484186     -0.33039681
+H      3.82225774     -1.10897147     -3.01054434 
+
+11
+-1186.3363758464689 8.467233 8.88429 -9.7205 -7.6627 -9.632 1.2107 -0.5309 -0.127 9.02351 0.63928 5.0629559114 11.866452088 0.489427135
+C      0.95561989      0.04692516     -0.00524996
+C      2.44830027     -0.02873291     -0.00153413
+N      3.16472698      1.08344209      0.00040486
+O      4.51522854      0.66840308      0.00300343
+C      4.54689481     -0.68261248      0.00271862
+C      3.28246581     -1.18993068     -0.00003118
+H      0.63275352      1.09446585      0.00285684
+H      0.53662967     -0.45790721      0.87653518
+H      0.54202898     -0.44207741     -0.89850942
+H      5.53559940     -1.13225577      0.00486010
+H      2.98213212     -2.23212971     -0.00073436 
+
+13
+-1342.7418477540332 8.925707 9.62978 -9.419 -7.3893 -10.634 0.7479 -0.1942 0.64 9.72156 0.03538 4.4341981082 6.4244957718 0.146202839
+C      0.95092862     -0.03701718      0.17808565
+C      2.45323173      0.06497815     -0.02547416
+C      3.22369805      1.12731121      0.81474306
+C      4.01158707     -0.06438333      1.41239178
+O      4.92930930     -0.20570497      2.19572636
+N      3.25920663     -0.95891499      0.67612550
+H      0.54471378     -0.94181123     -0.29730283
+H      0.44525243      0.83057029     -0.27036525
+H      0.70445400     -0.07075727      1.24926673
+H      2.70015297      0.11880250     -1.09910211
+H      2.61296227      1.67275263      1.54560177
+H      3.84597928      1.82870815      0.24581047
+H      3.35995387     -1.96375396      0.53672305 
+
+13
+-1320.4603243732151 9.126267 9.85327 -9.5671 -7.5338 -10.729 1.142 -0.5309 0.245 9.97903 0.36203 4.1277915064 12.8392214468 0.185050914
+C      0.88438291     -0.06171425     -0.08666199
+C      2.37126585      0.17963666     -0.13994948
+C      3.29175012     -0.68552432     -0.96692619
+N      2.94224840      0.67013482     -1.38446591
+C      3.84585229      1.72298144     -1.46646935
+O      3.74550474      2.78056111     -0.86589263
+H      0.35046352      0.87799854      0.11202449
+H      0.63819823     -0.77212261      0.71553739
+H      0.52040184     -0.46887276     -1.03958639
+H      2.81553573      0.61370482      0.76262288
+H      2.86626253     -1.49212901     -1.57003034
+H      4.30622662     -0.85573747     -0.59559698
+H      4.64752722      1.51954303     -2.21353551 
+
+15
+-1445.9632375431095 9.44805 10.42345 -8.7714 -6.5592 -10.086 0.884 -0.0853 3.169 9.66703 -2.85876 8.0386199114 13.2798180964 0.143371505
+C      0.93833776     -0.00735579     -0.04306090
+C      2.43966151     -0.09668402      0.09683399
+C      3.32331075     -0.83608748     -0.92655564
+N      2.85395020     -1.47373597     -2.13768034
+C      3.35560767      0.66408855     -0.82118958
+O      4.45547351      1.32951145     -0.23744371
+H      0.54702418      0.89500905      0.45050466
+H      0.44356974     -0.87942083      0.41204559
+H      0.62653342      0.03158224     -1.09725108
+H      2.81357366     -0.16928386      1.12195740
+H      4.18769534     -1.33891211     -0.48327048
+H      2.27900196     -0.83594590     -2.69045030
+H      2.26854166     -2.28407543     -1.91889503
+H      2.86766961      1.21567587     -1.63870557
+H      5.19747903      1.27898424     -0.86694901 
+
+13
+-1341.2113938231355 8.882354 9.53244 -9.3992 -7.3628 -10.645 0.8336 -0.1321 0.665 9.67721 0.02286 4.4224194382 12.292343998 0.188629915
+C      0.93530641     -0.02192889      0.14611189
+C      2.44191121      0.07040574     -0.03828464
+C      3.23304184      1.09629576      0.83008453
+N      3.96643747     -0.04480682      1.39934260
+C      3.28752097     -1.01500223      0.68921255
+O      3.34856518     -2.22870134      0.67767773
+H      0.55056314     -0.93341397     -0.33195629
+H      0.42350883      0.84088830     -0.30383723
+H      0.66757838     -0.06378405      1.21225048
+H      2.71248884      0.12818850     -1.10329447
+H      2.61586982      1.63922530      1.56249656
+H      3.86511333      1.80226067      0.27147537
+H      4.68890458     -0.10949696      2.11501091 
+
+11
+-1210.0403228272476 8.49773 8.92249 -9.11 -6.9352 -8.559 1.5368 -0.1969 0.225 8.18198 0.39267 4.374350066 9.5210957162 0.266179274
+C      0.97721367     -0.03593300     -0.00688903
+C      2.45450903      0.09308274      0.00011437
+C      3.33711278      1.13388806      0.00208370
+N      4.64456429      0.65102187      0.00862500
+C      4.50299709     -0.63988843      0.01040852
+O      3.20278345     -1.07279395      0.00549614
+H      0.52111814      0.96133695     -0.00015589
+H      0.61781429     -0.58603103      0.87543314
+H      0.62441275     -0.57087217     -0.90121243
+H      3.12056955      2.19799211     -0.00079144
+H      5.26954496     -1.40854316      0.01549793 
+
+15
+-1443.9747832200985 9.326108 10.28981 -9.477 -7.1736 -10.84 0.8646 -0.1526 2.698 10.23879 -2.39565 8.5823233186 13.3883554408 0.09789273
+C      0.80938607      0.08935401     -0.31117517
+C      2.25151433     -0.07971046      0.10633955
+C      2.54486640      0.03279003      1.59456263
+N      1.87205990     -1.03539469      2.35388139
+C      3.18613222     -0.82920678     -0.74918982
+O      3.21841608      0.61578791     -0.72423207
+H      0.71719601      0.05219525     -1.40403766
+H      0.41823698      1.05864004      0.03481404
+H      0.18514446     -0.71008075      0.11507363
+H      2.27656232      1.05927133      1.91955349
+H      3.63037009     -0.07264003      1.73349393
+H      0.87932904     -0.81648064      2.46752361
+H      2.25806680     -1.07703298      3.29888317
+H      2.82648335     -1.26844055     -1.68635056
+H      4.05098595     -1.32548170     -0.29537018 
+
+11
+-1183.7562548385013 8.407867 8.8179 -9.5448 -7.4452 -9.37 1.1395 -0.6189 -0.225 8.8092 0.74514 4.7859959846 6.7651473068 0.37877615
+C      0.92654113      0.01442683     -0.00732780
+C      2.42254587      0.02346979     -0.00120829
+C      3.28186695      1.08705591      0.00250896
+O      4.57144652      0.67383101      0.00737130
+N      4.58838596     -0.73526235      0.00633456
+C      3.31836686     -1.08946610      0.00162618
+H      0.52443229      1.03534668      0.00154142
+H      0.52668417     -0.51087930      0.87214856
+H      0.53367391     -0.49270857     -0.90058195
+H      3.13185392      2.16302702      0.00261085
+H      3.07601241     -2.15087092      0.00037621 
+
+11
+-1209.1253402830198 8.425989 8.91345 -9.1827 -7.0219 -8.672 1.4705 -0.2565 0.176 8.19202 0.40771 4.413839607 13.4859076256 0.319008005
+C      0.96539876     -0.01382997     -0.00678704
+C      2.45590725      0.03324339      0.00021570
+C      3.29525769      1.10824747      0.00165775
+O      4.59779495      0.65065295      0.00828889
+C      4.46023513     -0.70849261      0.01058995
+N      3.23176523     -1.13174654      0.00606231
+H      0.53739583      0.99630172      0.00085748
+H      0.59117468     -0.55831332      0.87204360
+H      0.59830045     -0.54151309     -0.89889479
+H      3.16170816      2.18354718     -0.00116979
+H      5.37725189     -1.28968718      0.01611595 
+
+15
+-1443.117165161562 9.356274 10.2211 -9.4509 -7.2986 -10.989 0.9048 -0.1362 2.691 10.3518 -2.37266 8.5367584636 11.4383408286 0.164821658
+C      0.82390524      0.14863520     -0.29578447
+C      2.28745661     -0.02324104      0.05002724
+C      2.63258895      0.05584106      1.52750059
+O      2.03967314     -0.97742784      2.32450518
+C      3.16927552     -0.84702951     -0.81985472
+N      3.22784508      0.63473457     -0.89201933
+H      0.69022237      0.15953488     -1.38490486
+H      0.43673215      1.10073909      0.10060376
+H      0.21819391     -0.67470164      0.11294755
+H      2.35498373      1.05545089      1.91559052
+H      3.72010715     -0.06209723      1.65792653
+H      1.08314623     -0.80578638      2.37281601
+H      2.75372168     -1.32634587     -1.70958265
+H      3.99280932     -1.38796092     -0.34623227
+H      4.05411892      0.96376475     -0.37782907 
+
+11
+-1161.9857763438051 9.239716 8.85999 -8.8314 -6.7737 -9.297 0.1014 -1.6007 -0.578 8.82188 1.01753 4.9314067654 4.9314067654 0.457591158
+C      0.98425866      0.00900723     -0.12687824
+C      2.32445239     -0.01003065     -0.00152743
+C      3.26701412     -1.18616108     -0.01708854
+O      4.59635199     -0.59897628      0.16773750
+N      4.47348581      0.78720625      0.27843036
+C      3.22261829      1.11716654      0.18552061
+H      0.40591532     -0.90482743     -0.26257754
+H      0.43307938      0.94868091     -0.09565307
+H      3.27066331     -1.73017628     -0.97385422
+H      3.09575542     -1.89546529      0.80672525
+H      2.94626531      2.16823608      0.25191533 
+
+13
+-1302.106840741024 8.776744 9.18192 -9.2209 -7.1001 -10.341 1.1717 -0.4096 0.446 9.93123 0.13215 5.4262720872 6.236123842 0.160652721
+C      0.95920919      0.01001218     -0.04945141
+C      2.49668148     -0.02106576     -0.02408742
+C      3.10706214     -1.26886908      0.63147934
+O      3.53230671     -0.84486509      1.96940268
+N      3.57593708      0.55923793      1.99582611
+C      3.06195641      1.02176626      0.91236920
+H      0.56690286     -0.77325132     -0.71365298
+H      0.58842235      0.97816095     -0.41496316
+H      0.55126447     -0.15225402      0.95822781
+H      2.88228724      0.11517724     -1.04634318
+H      4.00046376     -1.62650541      0.09513239
+H      2.39576996     -2.09576134      0.76127939
+H      2.99829636      2.10196746      0.78105122 
+
+15
+-1445.895321094937 9.395015 10.49579 -9.4942 -7.2915 -10.932 0.8937 -0.037 2.816 10.35218 -2.56762 8.5977967714 11.572915233 0.176192456
+C      1.06127165     -0.11972589     -0.01702928
+C      2.56128385      0.03489322     -0.04885265
+N      3.34351251     -0.45265870     -1.21035786
+C      3.21544529      1.01131212     -0.96129602
+C      4.52628195      1.68022868     -0.62725035
+O      5.40208433      1.71397401     -1.75730393
+H      0.61583640      0.52987879      0.75144122
+H      0.77594267     -1.15662174      0.21620290
+H      0.61286754      0.14881180     -0.98560760
+H      3.06517554     -0.16671298      0.90317222
+H      2.69126827     -0.72413189     -1.95492242
+H      2.55938636      1.57316691     -1.63524097
+H      4.99874036      1.15382829      0.22327423
+H      4.36418487      2.72807481     -0.33275385
+H      5.48143842      0.78622256     -2.05000562 
+
+13
+-1314.3672457873201 9.106834 9.88052 -9.5539 -7.3831 -10.888 0.9438 -0.992 -0.121 10.00903 0.73938 3.6780198928 11.9461626874 0.192562872
+C      0.98057889      0.09538343     -0.18769196
+C      2.46780007      0.12780837      0.06044051
+N      3.38781635     -0.76420095     -0.64347180
+C      3.38853394      0.68480407     -0.99583412
+C      4.60006349      1.43627865     -0.57987115
+O      4.95410098      2.49368569     -1.07240727
+H      0.50598629      1.02873824      0.14816270
+H      0.51553298     -0.73537272      0.36369579
+H      0.75717039     -0.03416497     -1.25706886
+H      2.76152548      0.29446101      1.10300303
+H      2.88353086     -1.27326421     -1.37846906
+H      2.92421200      1.01823114     -1.92802253
+H      5.17010825      0.95025225      0.25411472 
+
+15
+-1445.8541870130978 9.378417 10.21891 -8.8583 -6.6818 -10.299 0.9865 0.0215 2.852 9.72579 -2.60413 8.0989267018 12.2747875804 0.072601516
+C      0.96506716      0.02238782      0.06344605
+C      2.47834912     -0.01505515      0.03259765
+N      3.21338393      1.03868624      0.82324697
+C      4.19854308     -0.00475775      1.27157560
+C      3.24126767     -1.12421361      0.80447131
+O      3.72700721     -2.27736907      0.13924366
+H      0.54708136     -0.81806729     -0.50970716
+H      0.58259902      0.95538522     -0.37612010
+H      0.58918575     -0.05096059      1.09653807
+H      2.83480112      0.03153042     -1.01504451
+H      2.62877931      1.30358548      1.62323863
+H      5.11481146      0.04950939      0.65710844
+H      4.48617570      0.02392276      2.33215649
+H      2.63086309     -1.50168846      1.64089321
+H      4.29642504     -1.97768541     -0.59301430 
+
+15
+-1451.1646902004081 9.443257 10.20976 -8.867 -6.6929 -10.279 0.7701 -0.2202 2.959 9.87369 -2.62654 8.0649545378 10.7855297414 0.187366582
+C      0.98923092     -0.08009469     -0.12184201
+C      2.49810286     -0.05830680     -0.01329408
+N      3.08851519     -0.08867488      1.31772049
+C      3.33136294     -0.73879003     -1.08833808
+C      3.32776249      0.77410147     -0.97761582
+O      4.45321716      1.43644296     -0.47311222
+H      0.66429059      0.03483900     -1.16652908
+H      0.54035332      0.74404590      0.45658861
+H      0.57493096     -1.02925996      0.25637438
+H      3.08318495     -1.03628802      1.70300561
+H      2.55005100      0.50227763      1.95719959
+H      2.80021545     -1.21311558     -1.91515376
+H      4.24921502     -1.23710802     -0.77213856
+H      2.81409575      1.35498061     -1.74737637
+H      4.52589138      1.09238041      0.44952131 
+
+13
+-1318.8923440518606 8.834166 9.49916 -9.3663 -7.1933 -10.458 0.8646 -0.9794 0.262 9.71178 0.48826 3.7266100062 12.8947175804 0.118422738
+C      1.00353539      0.01223470      0.21767933
+C      2.49321426     -0.02056745     -0.09995361
+N      3.36855858      1.00592832      0.56499635
+C      4.09297574     -0.02679308      1.37013491
+C      3.30469091     -1.11242521      0.62538674
+O      3.30345445     -2.31983568      0.61855190
+H      0.49912912     -0.85144229     -0.23818358
+H      0.54402882      0.92575655     -0.18683951
+H      0.82273367     -0.01886339      1.30273315
+H      2.64739663     -0.03661255     -1.19347768
+H      2.82324910      1.63927350      1.15381841
+H      5.18272606     -0.04356196      1.20688782
+H      3.90063728     -0.02636146      2.45691578 
+
+11
+-1211.227034448173 8.51179 9.00331 -9.1309 -6.9681 -8.667 1.5564 -0.1505 0.315 8.26981 0.30737 4.5380983762 12.7687478044 0.291851034
+C      1.00399314     -0.00854463     -0.00475924
+C      2.48533511      0.08533638     -0.00572104
+N      3.23842607      1.15084153     -0.00704828
+C      4.54364894      0.66356328     -0.00869783
+C      4.51687640     -0.69544783     -0.00801458
+O      3.19727086     -1.09397497     -0.00604655
+H      0.58716092      1.00347127      0.00593511
+H      0.64289053     -0.55578911      0.87769821
+H      0.64050496     -0.53727198     -0.89760033
+H      5.40403081      1.32567279     -0.01003174
+H      5.26162227     -1.48235673     -0.00831372 
+
+15
+-1444.8236751404002 9.341602 10.03736 -9.3373 -7.1297 -10.438 0.8314 -0.1755 2.796 9.8831 -2.52077 8.0802048158 12.3232661064 0.107041122
+C      0.92692641     -0.00150689      0.13178443
+C      2.43977646      0.01649590     -0.05481379
+N      2.76123122     -0.03258745     -1.47316869
+C      3.15084706      1.03088659      0.89645283
+O      3.52454624     -0.03930041      1.80823221
+C      3.17502942     -1.03880511      0.80806874
+H      0.66935653     -0.02552175      1.19935612
+H      0.49197027     -0.88351479     -0.35913354
+H      0.46858244      0.89950570     -0.30659411
+H      3.76110953      0.12142032     -1.62498970
+H      2.26219458      0.69997139     -1.98432975
+H      2.53264382      1.79792677      1.39213818
+H      4.04065113      1.50527723      0.44014415
+H      4.07378741     -1.45063024      0.31338625
+H      2.57504748     -1.86015724      1.23095667 
+
+13
+-1307.2739133783537 8.933255 9.4519 -8.9102 -6.8104 -10.044 0.8356 -0.1576 0.634 9.54597 0.01153 5.4725436624 11.67204204 0.216097618
+C      1.03233334     -0.02553343      0.03966539
+C      2.51881669      0.04194512     -0.05256459
+N      3.23691115     -1.02277417     -0.15521191
+O      4.60282309     -0.68244938     -0.19061482
+C      4.71438124      0.77213055     -0.33505731
+C      3.33508263      1.31310603      0.03742549
+H      0.69521231     -1.06808861      0.00683504
+H      0.55982016      0.52788600     -0.78694030
+H      0.67939158      0.43375662      0.97678997
+H      4.97235590      0.98945692     -1.38490859
+H      5.53001122      1.10493634      0.31939867
+H      2.97665770      2.09488791     -0.64712038
+H      3.28359297      1.72073008      1.06205333 
+
+15
+-1446.1801556802552 9.478994 10.6962 -9.4463 -7.1036 -10.711 0.9823 0.0399 2.803 10.05512 -2.55838 8.5387546382 11.213975763 0.133418446
+C      1.01051743     -0.08483984     -0.03612073
+C      2.50467877      0.09700817     -0.07128513
+O      3.19136072     -0.36121325     -1.26010665
+C      3.16662115      1.06146669     -0.96595297
+C      4.49740915      1.68913980     -0.63942799
+N      5.24297864      1.94482616     -1.87962646
+H      0.56767680      0.53323607      0.75946950
+H      0.75366309     -1.13418029      0.16952528
+H      0.55942906      0.19983551     -0.99600813
+H      3.03308337     -0.16141537      0.85691771
+H      2.54019377      1.63872619     -1.65858350
+H      5.02030229      1.03793798      0.08928381
+H      4.31279738      2.65789436     -0.14466888
+H      5.47385530      1.05018419     -2.32044451
+H      6.13279308      2.39985362     -1.66596137 
+
+11
+-1177.6855889860383 8.401788 9.44247 -11.013 -8.8541 -11.69 1.4893 -0.4636 0.997 11.33288 -0.64971 5.342184782 10.8132034166 0.225115165
+C      1.00100846      0.00444328     -0.06882639
+C      2.49884726      0.08327311      0.01244714
+O      3.25583928     -0.54299963     -1.04354767
+C      3.28833816      0.89482357     -0.94849026
+C      4.54395711      1.49678682     -0.55593676
+N      5.54514891      2.00933691     -0.24459985
+H      0.54435605      0.75421682      0.59298692
+H      0.65787107     -0.98782239      0.25595769
+H      0.65048312      0.17366909     -1.09517773
+H      2.94473140     -0.05677705      1.00464826
+H      2.76023917      1.42909946     -1.74609135 
+
+15
+-1447.0517363208148 9.430356 10.30113 -9.257 -7.0228 -10.402 0.8699 -0.1048 2.875 9.86676 -2.60609 8.1963796978 12.5572276884 0.087565961
+C      0.96947557      0.09021443      0.10284445
+C      2.47017494     -0.04735893     -0.00342445
+O      3.19411820      0.97655287      0.75165113
+C      4.13400624     -0.02112438      1.24434874
+C      3.21799938     -1.16789998      0.78118103
+N      3.85458742     -2.30280113      0.14347003
+H      0.47224135     -0.72221698     -0.44914399
+H      0.63387864      1.04501481     -0.32697691
+H      0.64942036      0.05317240      1.15423522
+H      2.79195142     -0.03086888     -1.06603514
+H      5.09107782      0.00996799      0.68974288
+H      4.33053382      0.08892235      2.32134557
+H      2.59281187     -1.53747321      1.60885914
+H      4.32509833     -2.01782338     -0.71953321
+H      3.17131463     -3.02028798     -0.10593447 
+
+15
+-1448.6898354336745 9.532784 10.38114 -8.6389 -6.4347 -9.831 0.8496 -0.1584 2.902 9.42268 -2.56414 7.8097417554 12.8870180498 0.176861912
+C      1.01833060      0.01916592     -0.05106428
+C      2.52497085      0.05806014      0.02419385
+O      3.04993925      0.17126875      1.33965807
+C      3.37509408     -0.70273436     -0.98168602
+C      3.34374590      0.80995985     -1.01153044
+N      4.54099031      1.55576881     -0.69097079
+H      0.67727324      0.03481818     -1.09637150
+H      0.58675661      0.88782911      0.46818227
+H      0.61463813     -0.89540908      0.41531181
+H      2.93205101     -0.69063970      1.77810205
+H      2.88640220     -1.26181548     -1.78162624
+H      4.29160011     -1.15490321     -0.59607243
+H      2.77407656      1.26113894     -1.82849112
+H      4.94910653      1.16139467      0.16261892
+H      4.27604463      2.51392748     -0.44165416 
+
+15
+-1447.4048030889237 9.368422 10.07047 -9.0974 -6.8793 -10.526 0.8417 -0.1719 2.857 9.81563 -2.57461 8.2767102272 13.1801829468 0.191509388
+C      0.95657633     -0.01735782      0.22898129
+C      2.43429044      0.00510689     -0.11746787
+O      2.53122459      0.04162199     -1.53427260
+C      3.25591886      1.04912577      0.69976265
+N      3.57798695     -0.02922816      1.67167700
+C      3.27553240     -1.06319008      0.64670084
+H      0.82673673     -0.04601669      1.31863700
+H      0.47789379     -0.90289642     -0.21272087
+H      0.46130478      0.88024669     -0.16779336
+H      3.47607910      0.05625491     -1.76893629
+H      2.72258163      1.91580154      1.12147763
+H      4.12123550      1.40685520      0.10700065
+H      4.53988745     -0.02894193      2.01543480
+H      4.14698569     -1.37465604      0.03715627
+H      2.75859578     -1.95961586      1.02415288 
+
+13
+-1296.5122282101208 11.119505 10.80161 -8.6495 -6.6501 -9.179 0.5685 -1.0782 -0.396 8.62418 0.94408 5.0582444434 5.0582444434 0.638772777
+C      0.93086636      0.01291231     -0.05975674
+C      2.42075113      0.04571851     -0.15873856
+C      3.20050289      1.07383952      0.23612842
+C      4.64041343      1.06359987      0.12151446
+N      5.32408537      2.08582427      0.52020229
+O      6.70593908      1.86657314      0.31736330
+H      0.59351312     -0.83650578      0.55637775
+H      0.47114884     -0.12514624     -1.05201523
+H      0.53129099      0.93705153      0.37931284
+H      2.90395990     -0.84038140     -0.58732827
+H      2.75423536      1.97489103      0.66832268
+H      5.14540716      0.18511958     -0.30553873
+H      7.09200635      2.69548366      0.65369579 
+
+13
+-1347.371452065739 9.921181 10.31432 -9.302 -7.3579 -9.966 0.6865 -0.9806 -0.205 9.38707 0.76336 4.1606725936 5.5258452438 0.401824389
+C      0.89974526     -0.00299922     -0.09755385
+C      2.38619272      0.07621293     -0.18287678
+C      3.15035609      1.03408151      0.36386647
+C      4.63401658      1.00872075      0.21147595
+N      5.28355637      2.05630783      0.82500149
+O      5.24770772      0.13640362     -0.40546541
+H      0.58763510     -0.94979326      0.37179058
+H      0.45230950     -0.00013623     -1.10448857
+H      0.46978296      0.82864378      0.47680082
+H      2.91056658     -0.71045492     -0.73727126
+H      2.69413335      1.85202450      0.93206054
+H      4.78911689      2.77864826      1.33441697
+H      6.29483088      2.09824044      0.75914305 
+
+13
+-1291.6562086134727 10.256474 10.26794 -8.7696 -6.7399 -9.373 0.3012 -1.3897 -0.387 8.78656 0.90244 4.9992767018 7.0311096754 0.327762488
+C      1.02951523      0.05228724      0.06806714
+C      2.53013699     -0.08147875     -0.00708909
+C      3.15708766     -1.26532349      0.13786818
+C      3.25018621      1.17903261     -0.25070120
+N      4.53484955      1.23224210     -0.33201564
+O      4.96659532      2.55394613     -0.56967739
+H      0.73262413      0.73945694      0.87610773
+H      0.55380594     -0.91904376      0.25090403
+H      0.62155161      0.46511425     -0.86816891
+H      2.58979740     -2.17820938      0.32111416
+H      4.24277602     -1.33977275      0.07894326
+H      2.65945298      2.09982920     -0.36433827
+H      5.93438095      2.44585967     -0.60699400 
+
+13
+-1345.19649902784 9.474617 9.85768 -9.4426 -7.4758 -10.008 0.6163 -1.0929 -0.27 9.57831 0.74786 4.10517646 5.5714224974 0.288925442
+C      0.99801213     -0.01609377     -0.11776908
+C      2.49211423     -0.12631403     -0.02123500
+C      3.15388000     -1.29607379     -0.03458681
+C      3.21156869      1.18269378      0.19636697
+N      4.50428714      1.25170736     -0.27349165
+O      2.67829062      2.12127439      0.78887306
+H      0.70265155      0.57297395     -0.99968082
+H      0.60777527      0.52149250      0.75786278
+H      0.52987700     -1.00609581     -0.18008828
+H      2.62007814     -2.24245442     -0.14149130
+H      4.23448010     -1.35213518      0.10400587
+H      4.81778812      0.61171890     -0.99493746
+H      4.95048701      2.16285612     -0.22057829 
+
+13
+-1292.1524365969372 10.042304 10.12703 -8.9383 -6.931 -9.509 0.3578 -1.3043 -0.304 8.94931 0.83737 5.013063945 7.0617590146 0.398477887
+C      1.03801831      0.02829291     -0.09279499
+C      2.53808117      0.06870611      0.07209132
+C      3.21070378     -1.22291069      0.24399226
+C      4.51959237     -1.50007419      0.41039449
+N      3.03536480      1.26898567      0.03667500
+O      4.44111633      1.29917439      0.19050536
+H      0.64048857      1.04204600     -0.21442096
+H      0.56378411     -0.43786238      0.78444427
+H      0.76164705     -0.57192584     -0.97309628
+H      2.51693744     -2.07087139      0.22829482
+H      5.28488131     -0.73058216      0.43842538
+H      4.83422049     -2.53900041      0.52240505
+H      4.61406428      2.25523198      0.13590427 
+
+15
+-1434.4642017473602 10.101259 10.71044 -9.5363 -7.4037 -10.556 1.5444 -0.161 0.548 10.04026 0.06226 5.5540892546 6.6204308476 0.216136266
+C      0.92687613     -0.07096495     -0.05409075
+C      2.46077169      0.03296510     -0.00202228
+C      3.11175212     -0.74202879     -1.16046625
+C      2.88737761      1.47261556     -0.03256280
+N      3.53854832      1.97344863      0.95035460
+O      3.84114106      3.34394614      0.71728890
+H      0.46328864      0.44976794      0.79502163
+H      0.61252696     -1.12447225     -0.02543487
+H      0.53173440      0.37124428     -0.98209928
+H      2.81512646     -0.38765929      0.95283681
+H      2.80692733     -0.32766939     -2.13426023
+H      2.80541803     -1.79798431     -1.13572238
+H      4.20804253     -0.70023357     -1.10131007
+H      2.63131506      2.08613593     -0.91097330
+H      4.32439367      3.57948897      1.52951026 
+
+15
+-1486.4735399218462 9.463508 10.24494 -9.2338 -7.2078 -10.692 0.7135 -0.3032 0.577 9.63251 0.06716 4.3601040746 11.9201504246 0.174666354
+C      0.96586002     -0.03667084     -0.11156848
+C      2.50138320      0.00085731     -0.06805879
+C      3.12547027     -0.91865235     -1.12929685
+C      3.04646019      1.43462988     -0.15437279
+N      2.77437918      2.10964880     -1.31806368
+O      3.68771197      1.95220206      0.75842923
+H      0.52741579      0.63019251      0.64383226
+H      0.60654928     -1.05722090      0.08597169
+H      0.57475254      0.26339008     -1.09635581
+H      2.83112161     -0.33806273      0.92534582
+H      2.80583292     -0.64781129     -2.14775933
+H      2.81746079     -1.96015644     -0.95591945
+H      4.22320793     -0.87918311     -1.09773116
+H      2.24801616      1.69762925     -2.07923212
+H      3.11791815      3.05956776     -1.41333054 
+
+11
+-1138.5715761571812 10.580972 10.90256 -8.8791 -6.9055 -9.401 0.5537 -1.2113 -0.238 8.8935 0.78312 3.6572398392 13.0555770168 0.731352834
+C      0.94798022     -0.04699415     -0.00000096
+C      2.39732950      0.02691496      0.00004395
+C      3.61395058      0.10948734      0.00006471
+C      5.02661847      0.10366080      0.00009483
+N      5.69202168      1.21592070     -0.00011596
+O      7.07527779      0.94737451     -0.00003104
+H      0.50232223      0.95824130      0.01196698
+H      0.57960536     -0.59148437      0.88250138
+H      0.57859437     -0.57066967     -0.89461423
+H      5.55458086     -0.86050069      0.00030289
+H      7.45339894      1.84550928     -0.00021255 
+
+11
+-1189.4791452990626 9.584641 10.47169 -9.5161 -7.5214 -10.075 0.9654 -0.856 -0.142 9.53956 0.69873 3.717534231 10.7011572684 0.406298325
+C      0.97036765      0.01095308      0.00010016
+C      2.42116449     -0.03544010      0.00008424
+C      3.63830099     -0.06303427      0.00006175
+C      5.09053949      0.01671879      0.00003571
+N      5.72265865     -1.20218962     -0.00006179
+O      5.69501779      1.08883378      0.00010251
+H      0.60960646      1.04965374      0.01151099
+H      0.56122692     -0.50251078      0.88265675
+H      0.56218863     -0.48243220     -0.89429398
+H      5.19942615     -2.06995609     -0.00014011
+H      6.73729278     -1.21863632     -0.00006623 
+
+15
+-1438.381437698181 9.896605 10.53872 -9.2133 -7.1457 -10.257 1.0783 -0.0875 0.695 9.64828 -0.01971 5.5841930554 6.4453130212 0.20601351
+C      1.93574485     -0.33759096      1.37506241
+C      2.51280108      0.07001818      0.01089762
+C      3.06858769      1.47033484     -0.00234941
+C      2.15623250      2.64892744      0.18902929
+N      4.34206444      1.56772452     -0.17884755
+O      4.76063486      2.93325679     -0.15794100
+H      1.52005572     -1.35401904      1.33003855
+H      1.12940346      0.33748137      1.69735184
+H      2.71759344     -0.32272086      2.14778461
+H      1.72195366      0.00074143     -0.75662381
+H      3.31561232     -0.62077911     -0.28306042
+H      1.10405025      2.34084004      0.21206248
+H      2.30404972      3.37875568     -0.61997776
+H      2.39241285      3.17597757      1.12594474
+H      5.71595315      2.83869210     -0.31646160 
+
+15
+-1433.7673417029694 9.993714 10.592 -9.5512 -7.3909 -10.603 1.3819 -0.244 0.506 10.11642 0.08957 5.5222248526 6.6146407014 0.217659262
+C      2.83383475     -0.86832181      1.28173391
+C      2.55275220     -0.08221438      0.00033235
+C      3.11608330      1.35317212      0.02472028
+C      4.61117973      1.39478425      0.05039994
+N      5.22644343      1.96381052      1.02071163
+O      6.63519305      1.88821859      0.84399279
+H      2.41740894     -1.88381523      1.22285713
+H      2.38718221     -0.37111110      2.15622504
+H      3.91352878     -0.95682408      1.47102662
+H      1.46599535     -0.02265927     -0.17057840
+H      2.96986796     -0.61987982     -0.86830371
+H      2.73167077      1.90337428      0.89725137
+H      2.76911076      1.88623679     -0.87771482
+H      5.17615984      0.92554244     -0.77001569
+H      6.95817894      2.35338669      1.63645158 
+
+15
+-1487.5995930803708 9.565008 10.57205 -9.3942 -7.359 -10.814 0.7166 -0.2539 0.538 9.7116 0.09932 4.3531980544 11.4944568922 0.179398637
+C      1.61164716     -0.94684842     -0.27985684
+C      3.11377254     -0.66401504     -0.31338378
+C      3.44267782      0.78594255      0.03644373
+C      4.94151429      1.09190178      0.00740529
+N      5.26237834      2.39643901      0.29653450
+O      5.80166395      0.25513601     -0.25479325
+H      1.40067339     -1.99580406     -0.53166465
+H      1.06621115     -0.31682073     -0.99979794
+H      1.18671966     -0.75332564      0.71752151
+H      3.52357951     -0.89293749     -1.30871512
+H      3.64384016     -1.32875644      0.38521289
+H      3.05742135      1.03400841      1.04147570
+H      2.93280790      1.47415801     -0.66071508
+H      4.56130088      3.08491900      0.54315426
+H      6.24251190      2.65811303      0.31848880 
+
+13
+-1333.0875147177783 9.791245 10.1343 -9.5373 -7.4472 -9.824 1.3537 -0.3666 0.279 9.93325 0.29429 4.323267834 6.1242016798 0.309243363
+C      1.00892123     -0.63331991     -0.66335679
+C      2.18784178     -0.41617660     -0.07011586
+C      3.08099418      0.75316788     -0.37048756
+N      4.40830900      0.32723246     -0.81271690
+C      5.56095516      0.67996271     -0.16790535
+O      5.63009392      1.40124846      0.82119005
+H      0.38561828     -1.48897521     -0.40115515
+H      0.62182309      0.04887968     -1.42505660
+H      2.55796050     -1.11303433      0.68950060
+H      3.25776096      1.35621620      0.53375583
+H      2.61802239      1.40658346     -1.12800342
+H      4.47797850     -0.30073395     -1.60947000
+H      6.45738101      0.23124914     -0.65487885 
+
+13
+-1339.4080446358323 10.437282 10.58537 -8.6154 -6.5978 -9.043 1.4339 -0.3389 0.058 8.58589 0.56843 4.2918497816 12.9481431478 0.425450616
+C      0.70700097      0.11372984     -0.06291295
+C      2.15694830     -0.11824353      0.22894528
+C      3.11006763      0.81550256      0.08075821
+N      4.46979843      0.62568093      0.34605048
+C      5.44435860      1.58365330      0.19385449
+O      6.63131259      1.40507885      0.42982923
+H      0.33755599     -0.57685156     -0.83797380
+H      0.52391990      1.13989872     -0.41122538
+H      0.08532380     -0.05520117      0.83103131
+H      2.44188830     -1.11469339      0.58408284
+H      2.87087974      1.82273886     -0.27071940
+H      4.79103175     -0.28410218      0.67936996
+H      5.02706401      2.55020876     -0.17119027 
+
+13
+-1339.707599294507 10.103241 10.07514 -8.7705 -6.7846 -9.226 1.0166 -0.6636 -0.036 8.64322 0.61714 4.246210535 5.2440374644 0.398372306
+C      0.87017714     -0.23160625     -0.20513979
+C      2.35400696     -0.28788819      0.02437239
+C      3.06013507     -1.43216866     -0.04942838
+N      3.00302915      0.92335215      0.32717434
+C      2.46200269      2.18306306      0.44667725
+O      3.12514439      3.17719157      0.71629896
+H      0.61422309      0.42586091     -1.04964051
+H      0.33578524      0.14254634      0.68108354
+H      0.49730443     -1.23705977     -0.42970667
+H      2.56152700     -2.36994494     -0.28316809
+H      4.13722587     -1.45818372      0.11965203
+H      4.01164182      0.88733029      0.48354616
+H      1.36657715      2.21320721      0.27542877 
+
+13
+-1332.3625892805576 10.215254 10.02069 -8.4014 -6.4478 -8.923 0.3542 -1.32 -0.694 8.44482 1.34452 3.4526257434 4.3007147806 0.384025743
+C      0.99474126     -0.01369320     -0.04239078
+C      2.49961569     -0.05176794      0.01203545
+C      3.14013589     -1.35389927      0.01150941
+O      2.54360098     -2.43226406     -0.01722804
+C      3.22906278      1.10947197      0.05002374
+N      4.58360528      1.27063212      0.18120861
+H      0.62076041      1.01912891     -0.05180881
+H      0.55701024     -0.53426690      0.82241855
+H      0.61988209     -0.53086856     -0.93801994
+H      4.26414574     -1.35739115      0.02952983
+H      2.68863754      2.06082934      0.01972562
+H      5.19889585      0.47098448      0.07417733
+H      4.98466625      2.16406424     -0.07677097 
+
+17
+-1597.6446626982718 9.932782 10.68781 -9.6131 -7.3791 -10.707 0.7582 -0.2481 2.76 10.01155 -2.45992 8.354300666 10.604212615 0.075887564
+C      0.98472747      0.01910178     -0.05654240
+C      2.51219651      0.00495242      0.09687044
+C      2.92184108     -0.75770574      1.36212996
+N      3.20872204     -0.61937141     -1.05814622
+C      3.04661488      1.45690852      0.15090064
+O      4.46591292      1.49495956      0.12617049
+H      0.68595960      0.53577697     -0.98207163
+H      0.50198729      0.53760920      0.78692997
+H      0.58633544     -1.00616402     -0.09321027
+H      2.43919302     -0.32081667      2.24745304
+H      4.00946471     -0.71115241      1.50494206
+H      2.61653979     -1.81392978      1.29946686
+H      2.75847697     -0.33470112     -1.93306118
+H      3.13513098     -1.63846412     -1.00971013
+H      2.71289351      1.95258612      1.07618651
+H      2.61932743      2.02167184     -0.70535433
+H      4.69860635      0.77095884     -0.49880378 
+
+15
+-1480.24622322099 9.621648 10.33726 -9.4606 -7.3956 -10.552 0.7468 -0.2127 0.389 9.89189 0.17811 4.3346993432 6.200415874 0.179343613
+C      0.93779264     -0.52631240      0.24630083
+C      2.33186041     -0.09668138     -0.20923792
+C      2.94811624     -1.07240110     -1.21855815
+N      2.27115656      1.26619976     -0.75265102
+C      3.30532968      2.15233534     -0.67279936
+O      4.38164934      1.93908384     -0.12235681
+H      0.53405251      0.16597091      0.99801528
+H      0.97356643     -1.53147337      0.68782369
+H      0.23740045     -0.56546828     -0.60406693
+H      3.00116108     -0.02973448      0.66259930
+H      2.31892196     -1.15843895     -2.11792766
+H      3.04761611     -2.07327695     -0.77400236
+H      3.94637623     -0.72928811     -1.52011084
+H      1.44494781      1.54664852     -1.27561546
+H      3.05753255      3.12274666     -1.16425258 
+
+17
+-1591.245213453502 10.00119 10.96999 -9.2421 -6.9155 -10.642 0.8862 -0.1123 2.908 10.00699 -2.62228 8.6933775788 10.4525653384 0.083799048
+C      1.25784607     -0.26985782      0.46739813
+C      2.51341443      0.20563740     -0.27067078
+C      2.59171663     -0.36565366     -1.69451097
+N      2.73759423     -1.83328157     -1.67181973
+C      2.57565865      1.73846906     -0.28455523
+O      3.78341889      2.27953232     -0.83898728
+H      1.27119306      0.02914430      1.52574168
+H      1.17835454     -1.36291534      0.41062357
+H      0.35196673      0.15774543      0.00784337
+H      3.40205665     -0.15687747      0.28629859
+H      3.39796618      0.15829245     -2.24024607
+H      1.64630906     -0.13272716     -2.21532212
+H      3.68557348     -2.07617354     -1.37043095
+H      2.64455813     -2.20323444     -2.62023105
+H      2.41008487      2.12192176      0.73991363
+H      1.76346714      2.13804465     -0.91466181
+H      4.50814125      2.06536365     -0.22620298 
+
+17
+-1595.8139783187544 9.97848 10.93506 -9.5898 -7.329 -10.712 0.7745 -0.2232 2.85 10.02994 -2.58384 8.480828379 10.881569297 0.151227114
+C      1.30403094     -0.03179835      1.09871218
+C      2.75670060     -0.00981603      0.61933733
+C      3.23633905      1.36431522      0.12889448
+N      3.25567804      2.43544859      1.14798709
+C      4.65183530      1.29648183     -0.46339167
+O      5.10040005      2.58270610     -0.86635011
+H      1.00821731     -1.03818896      1.42670713
+H      0.61537647      0.27213140      0.29514019
+H      1.14665678      0.64789109      1.94999031
+H      2.88256467     -0.73711323     -0.20143884
+H      3.42481759     -0.34828368      1.43197955
+H      2.56251020      1.71718222     -0.67215939
+H      3.65385830      2.08054635      2.02335618
+H      2.31123697      2.75854920      1.36237911
+H      4.66617826      0.64149558     -1.34826555
+H      5.33793959      0.85303767      0.29136591
+H      4.72520989      3.17773498     -0.17880392 
+
+15
+-1478.3681651350912 9.607294 10.32723 -9.5261 -7.4473 -10.614 0.7296 -0.2628 0.371 9.92924 0.18294 4.3378113918 6.233210171 0.18287806
+C      3.34065485     -2.16919540     -0.61241755
+C      2.46319530     -0.93601267     -0.39257319
+C      3.24752679      0.37740531     -0.27707842
+N      3.97783909      0.73994438     -1.48934268
+C      3.48141409      1.60187727     -2.42550101
+O      2.39834154      2.17415531     -2.35991401
+H      2.73395952     -3.08456838     -0.65341800
+H      4.07184443     -2.29228164      0.20234006
+H      3.89650002     -2.10687198     -1.56031470
+H      1.87870539     -1.05572187      0.53445708
+H      1.73391337     -0.83503718     -1.21165997
+H      3.96829316      0.32015360      0.55457971
+H      2.55801851      1.20781754     -0.07288690
+H      4.88180676      0.31610424     -1.67481152
+H      4.19056717      1.74140147     -3.27503891 
+
+15
+-1424.9111355010505 10.403388 10.98964 -9.0884 -7.0284 -10.377 1.3358 -0.2501 0.586 9.87927 0.03153 5.4592647618 6.4528761672 0.253467005
+C      2.13595612     -0.88409062      1.53801277
+C      2.87324229     -0.58529692      0.22376482
+C      2.62585199      0.80627830     -0.26744490
+N      3.60450459      1.62784967     -0.38594612
+O      3.16076609      2.88918231     -0.84629867
+C      4.29587941      3.75334761     -0.96126839
+H      2.30153570     -1.92539611      1.84738196
+H      1.05122904     -0.73342812      1.43364236
+H      2.49103916     -0.22666524      2.34401190
+H      2.53638434     -1.29672859     -0.55035856
+H      3.95698851     -0.72548394      0.34529909
+H      1.59891518      1.11974015     -0.50893384
+H      3.89301716      4.71945613     -1.29010507
+H      5.01029235      3.37266421     -1.70764017
+H      4.80309807      3.87002116      0.00857282 
+
+9
+-1052.642863749703 8.616355 8.73363 -10.5362 -8.4091 -10.715 -1.1559 -2.9948 -1.6 10.29075 2.12396 3.3801187306 5.259052169 0.388466571
+C      0.95642972      0.01340751     -0.04607255
+C      2.30517388      0.02225123      0.00619018
+C      3.04434419     -1.28056991      0.01853876
+O      4.25144592     -1.39398089      0.06392086
+C      3.06136802      1.23555261      0.05028818
+N      3.68743892      2.22077098      0.08655746
+H      0.36800279      0.92948700     -0.05715510
+H      0.42389116     -0.93904406     -0.07806398
+H      2.36151540     -2.16621448     -0.01863381 
+
+9
+-1051.139658392073 8.507576 8.59566 -10.744 -8.8243 -11.165 -1.3379 -3.2036 -1.859 10.18401 2.41828 3.1950200312 11.5648065486 0.502118674
+C      0.95192634     -0.06744088      0.05416824
+C      2.28618952      0.03222311     -0.06136296
+C      3.01334315      1.30804091      0.03958024
+O      4.22763240      1.41944026     -0.06348958
+C      2.19149788      2.51790647      0.28134679
+N      1.57277788      3.48945870      0.47150378
+H      0.44693178     -1.03007362     -0.02612009
+H      0.32902305      0.81213729      0.23222061
+H      2.92500799     -0.83540225     -0.23943702 
+
+11
+-1193.647561687984 8.336504 9.11104 -10.466 -8.2451 -11.366 0.4089 -1.627 -0.486 10.5243 1.12741 3.642956652 11.0854890712 0.188438925
+C      0.96906579     -0.02908959      0.08523206
+C      2.51115777      0.01020111     -0.01064332
+C      2.98138214     -0.78778857     -1.23691036
+O      3.68269144     -0.37207820     -2.12869328
+C      3.03161341      1.37419752      0.00638074
+N      3.42374631      2.47140165      0.03512917
+H      0.63393397      0.42720470      1.02375912
+H      0.61822030     -1.06960974      0.05940420
+H      0.51691518      0.51811958     -0.75139920
+H      2.92816184     -0.52385368      0.86440615
+H      2.58981186     -1.83763479     -1.23031528 
+
+17
+-1599.4415123082974 9.976601 10.80441 -9.4793 -7.2777 -10.772 0.775 -0.2371 2.831 10.11594 -2.52836 8.6366663824 10.5431619086 0.103857378
+C      0.91049475      0.02532797     -0.00713683
+C      2.43537502      0.00269454      0.06698004
+C      2.90980815     -0.84436051      1.26072785
+O      2.91488487     -0.57522355     -1.15788146
+C      2.99111485      1.44381923      0.15523211
+N      4.44461075      1.42967253     -0.08992208
+H      0.57926438      0.60657072     -0.87901584
+H      0.47596896      0.46705140      0.90165121
+H      0.52433267     -0.99820872     -0.11162494
+H      2.53982410     -0.44233584      2.21678962
+H      4.00842584     -0.88946429      1.30067004
+H      2.54281901     -1.87386952      1.14959789
+H      3.82792442     -0.21686019     -1.23743179
+H      2.70194150      1.90239650      1.11966318
+H      2.52421980      2.03156814     -0.64953752
+H      4.96236450      1.25096485      0.77246650
+H      4.76237643      2.33224675     -0.44295800 
+
+13
+-1330.7403563083703 8.805745 9.7282 -11.1142 -8.8896 -11.876 0.8106 -0.359 1.278 11.397 -0.88142 5.3774464004 12.7232325438 0.223366607
+C      0.97337088     -0.01833559     -0.03572948
+C      2.50984079     -0.02564815      0.00320500
+C      3.04598417     -0.76888717      1.23091260
+O      3.05698920     -0.70663653     -1.13885431
+C      2.99958817      1.37629552      0.01650304
+N      3.37026128      2.48248314     -0.00560422
+H      0.60723243      0.50579387     -0.92950921
+H      0.55938740      0.48606025      0.84765634
+H      0.61728423     -1.05659740     -0.05957015
+H      2.69239566     -0.29586269      2.15515323
+H      4.14255403     -0.76826599      1.22427365
+H      2.68977138     -1.80678827      1.19581889
+H      2.75872037     -0.24149099     -1.94167539 
+
+13
+-1330.303322655549 8.784155 9.71821 -10.8049 -8.457 -11.786 0.8234 -0.3109 1.345 11.36017 -0.95443 5.3601379548 13.0106940848 0.19927648
+C      0.95691550      0.00383308      0.03216332
+C      2.49471213     -0.02661813      0.00840852
+C      3.03889974     -0.76993764     -1.23772072
+O      4.45162662     -0.89757963     -1.24534470
+C      3.06165556      1.32384197      0.04060036
+N      3.54473245      2.38613973      0.01280505
+H      0.58747040      0.52558072      0.92337651
+H      0.56641413     -1.02259187      0.04532106
+H      0.56049195      0.51733317     -0.85426734
+H      2.87322729     -0.55418054      0.90024147
+H      2.66471505     -0.26706730     -2.14864125
+H      2.63871315     -1.79430349     -1.22518104
+H      4.83549602     -0.00706008     -1.34976125 
+
+11
+-1194.7737630120328 8.376666 9.11073 -10.7265 -8.6739 -11.513 -0.6314 -2.656 -1.354 10.49234 1.79135 3.4169673698 11.9684057758 0.16882927
+C      0.98176473     -0.08449163      0.14930024
+C      2.48860460      0.06275375     -0.11687748
+C      2.95422875      1.49588096     -0.04945037
+O      3.47853890      2.11773773     -0.95571382
+C      2.72786140      2.16813650      1.25502283
+N      2.55892082      2.69470923      2.28345585
+H      0.70110558     -1.14485790      0.12142495
+H      0.39440033      0.44494563     -0.61281183
+H      0.70521365      0.31175237      1.13578355
+H      2.76732115     -0.31989834     -1.10759895
+H      3.05370009     -0.50244831      0.64421502 
+
+17
+-1597.380804788826 10.083625 11.13343 -9.5816 -7.3212 -10.812 0.8099 -0.1979 2.998 10.14964 -2.7234 8.713798073 10.7776194346 0.121533824
+C      1.10724574     -0.29592746      0.22820511
+C      2.62152860     -0.14245493      0.07641239
+C      3.06978301      1.30949012     -0.05134610
+O      2.71663032      2.01990144      1.13614578
+C      4.58094405      1.43854903     -0.28440797
+N      4.95423121      2.86164119     -0.18853518
+H      0.82438005     -1.35292111      0.33324193
+H      0.57843281      0.10760395     -0.64914769
+H      0.75005860      0.24571977      1.11424187
+H      2.96995771     -0.69302393     -0.81435787
+H      3.13369531     -0.58184980      0.94933746
+H      2.54619910      1.76405021     -0.92454946
+H      3.32604921      2.79165566      1.13156831
+H      4.85483260      0.96088733     -1.24419815
+H      5.10359772      0.90091539      0.52282320
+H      4.74824163      3.34729910     -1.06492379
+H      5.95521232      2.96780405     -0.02018983 
+
+13
+-1327.72113829578 8.86644 9.89631 -11.1757 -8.8999 -11.917 0.9031 -0.4695 1.215 11.50445 -0.83497 5.3901797626 12.408580873 0.250363117
+C      0.94472857     -0.09087258     -0.02485316
+C      2.47021426     -0.03123984      0.02566822
+C      2.99830294      1.41500343      0.05129566
+O      2.54846174      2.16915896      1.17975978
+C      4.47208649      1.43027283     -0.03852731
+N      5.63829011      1.41943170     -0.07090598
+H      0.59845313     -1.13269305     -0.00166475
+H      0.55983615      0.36981884     -0.94692916
+H      0.49842256      0.43832108      0.82741284
+H      2.90997599     -0.53934371     -0.84723588
+H      2.85452212     -0.55681441      0.91591197
+H      2.60750204      1.96000957     -0.82454077
+H      2.96308391      1.79044717      1.97731854 
+
+13
+-1275.8121770497228 10.313349 10.47659 -9.4869 -7.3863 -9.678 1.375 -0.5413 0.289 9.14635 0.23824 5.340944922 6.5315328856 0.551937166
+C      0.40206316      0.01544947     -0.14772548
+C      1.62425453     -0.22770425      0.33616160
+C      2.74870213      0.75518424      0.28589200
+O      3.86597346      0.11988112     -0.38231584
+N      5.03040639      0.86803064     -0.13503078
+C      6.03418363      0.38928928     -0.77120479
+H     -0.40485333     -0.71210390     -0.05245103
+H      0.16630679      0.95778393     -0.64843976
+H      1.84425578     -1.18164526      0.82575441
+H      3.07343155      1.03856285      1.30122940
+H      2.45872964      1.66967106     -0.25829771
+H      6.98277440      0.90632122     -0.62566941
+H      5.96945189     -0.48749040     -1.42615260 
+
+15
+-1425.7246228008953 10.18595 10.63719 -9.3311 -7.2865 -10.733 1.4525 -0.4324 0.369 10.29308 0.14303 5.2976242136 6.5563920786 0.397549246
+C      0.85791744     -0.47727224     -0.13321349
+C      2.36318719     -0.28417655     -0.25863636
+C      2.96434129     -0.97932436     -1.47011760
+O      2.68637559      1.12907802     -0.42414288
+N      2.51115653      1.79474246      0.79477887
+C      2.73289096      3.05237704      0.68140451
+H      0.47061499      0.09436953      0.72037213
+H      0.61982674     -1.53910593      0.02465850
+H      0.34788626     -0.13766205     -1.04693867
+H      2.86382249     -0.62253171      0.66410989
+H      2.50570156     -0.60740491     -2.39792991
+H      2.78473329     -2.06121811     -1.40841350
+H      4.04775754     -0.80782519     -1.52369132
+H      2.63393997      3.63992026      1.59429736
+H      3.01022817      3.53175375     -0.26483753 
+
+15
+-1482.6525766249704 9.583509 10.52882 -9.2387 -7.274 -10.554 0.7426 -0.2282 0.618 9.52972 0.04655 4.3545990962 12.5577484296 0.150160516
+C      1.55182343     -0.26531706      0.44342338
+C      3.01010004     -0.31105798     -0.01514519
+C      3.47745887      1.02868765     -0.58340133
+O      2.76153370      1.72311426     -1.30679362
+N      4.76045572      1.38389657     -0.24571187
+C      5.39756459      2.58858138     -0.74883156
+H      1.20324809     -1.26466015      0.73702489
+H      0.91438740      0.10802194     -0.36830444
+H      1.42778435      0.40749633      1.30414124
+H      3.12069891     -1.04869923     -0.82780002
+H      3.67005983     -0.64194800      0.80306004
+H      5.29164946      0.75774509      0.35057703
+H      4.64170103      3.13510181     -1.32600134
+H      6.24694546      2.35155024     -1.40798089
+H      5.75098910      3.22469715      0.07606369 
+
+15
+-1422.4722462777538 10.277573 10.93682 -9.4329 -7.3219 -10.807 1.458 -0.4641 0.344 10.37691 0.1639 5.3261409936 6.5907733964 0.430318836
+C      0.84650680     -0.00669102      0.43511859
+C      2.35297263     -0.05954649      0.17316590
+C      2.98423008      1.32142992      0.23007015
+O      4.39546256      1.16620606     -0.03217513
+N      5.01637551      2.42244313      0.02579614
+C      6.27533224      2.33157177     -0.19758467
+H      0.40622159     -1.01208819      0.39119957
+H      0.33002271      0.61573903     -0.31096722
+H      0.62519444      0.41045352      1.42901666
+H      2.55108317     -0.50234905     -0.81586764
+H      2.84520751     -0.70817402      0.91508912
+H      2.84934462      1.78352370      1.22268328
+H      2.54685590      1.99400152     -0.52729628
+H      6.83490387      3.26656045     -0.17107429
+H      6.78202636      1.38199968     -0.40618419 
+
+15
+-1441.197501248936 9.392023 10.33695 -9.3355 -7.1028 -10.659 0.8436 -0.126 2.753 9.97187 -2.45687 8.325597907 11.567459849 0.366035224
+C      1.08351501      0.14558141      0.09412700
+C      2.58256372     -0.11876298     -0.12701608
+N      2.90430877     -0.83940462     -1.37129309
+C      3.35103640      1.18800397     -0.10654490
+C      3.79597801      1.81313730      1.14914320
+O      4.73555700      1.15143710      0.27941725
+H      0.89272317      0.63520595      1.06151479
+H      0.51946623     -0.79809116      0.07350397
+H      0.67958485      0.79450149     -0.69943176
+H      2.97124470     -0.73119878      0.70427306
+H      2.49910301     -0.34076058     -2.17034720
+H      2.45683340     -1.75948737     -1.35920509
+H      3.14818106      1.85378845     -0.95918275
+H      3.60331119      1.30140612      2.09938291
+H      3.89662348      2.90217369      1.21085871 
+
+17
+-1588.8606971539334 10.082289 10.96701 -9.1064 -6.9823 -10.217 0.8879 -0.0894 3.242 9.4711 -3.12936 8.124306636 12.4554103852 0.106999904
+C      1.00912958     -0.14325994      0.04669933
+C      2.53016760     -0.17306461      0.13146441
+N      3.10207153      1.14662659     -0.16586479
+C      4.56243718      1.22357287     -0.01784275
+C      5.23283239      0.73755644     -1.30657401
+O      4.68468992      1.41301347     -2.43345240
+H      0.58911516     -1.13573439      0.25970976
+H      0.67770041      0.16724516     -0.95411262
+H      0.58451826      0.56063462      0.77965384
+H      2.92604514     -0.89245014     -0.60342604
+H      2.84644228     -0.53917636      1.13197259
+H      2.65679517      1.84546564      0.43132469
+H      4.94046248      0.64509332      0.85113952
+H      4.82795752      2.28067571      0.13511420
+H      5.11429499     -0.36021564     -1.40876188
+H      6.31240994      0.94958125     -1.27293726
+H      3.73776045      1.52407602     -2.19162660 
+
+17
+-1596.789179152065 10.039598 10.84135 -9.4535 -7.1904 -10.528 0.7596 -0.2272 2.895 9.94138 -2.63278 8.4409544814 11.5509449138 0.105790243
+C      0.98700907     -0.15624811      0.13050995
+C      2.50050328     -0.06243487     -0.09214572
+N      2.97577626     -0.84784393     -1.26103391
+C      2.97491685      1.39196106     -0.23416857
+C      4.49860385      1.54152804     -0.29282036
+O      5.07918233      0.96724309     -1.45984004
+H      0.68030414      0.38489169      1.03843589
+H      0.66675279     -1.20365060      0.23702801
+H      0.44142921      0.28081093     -0.72136384
+H      3.01289296     -0.49487106      0.78654219
+H      2.42863332     -0.58516673     -2.08818383
+H      2.79690804     -1.84381997     -1.10756764
+H      2.59245753      1.97118794      0.62292167
+H      2.53115773      1.83607758     -1.14384365
+H      4.93739009      1.10031419      0.62827078
+H      4.76672131      2.61018429     -0.29508560
+H      4.61532125      0.09996646     -1.56442534 
+
+13
+-1335.4888545771641 10.431685 10.20603 -8.5366 -6.6247 -9.142 0.358 -1.2679 -0.596 8.52072 1.26694 3.4974094866 4.5087384914 0.461109082
+C      1.00752048     -0.02869920     -0.00959943
+C      2.51036649     -0.03943842      0.03264817
+N      3.06018654     -1.29330317      0.12372489
+C      3.22820660      1.13297089      0.02930908
+C      4.66625585      1.23206977      0.03116497
+O      5.30680824      2.28516125      0.03131909
+H      0.62375182      0.99577716     -0.05044610
+H      0.59143024     -0.52521030      0.88025459
+H      0.63967245     -0.57120286     -0.89509891
+H      2.49126013     -2.08922085     -0.14179693
+H      4.06141569     -1.41004462      0.00818396
+H      2.67770845      2.07397147      0.01653790
+H      5.23163702      0.25713888      0.02392872 
+
+17
+-1598.996489330404 10.00266 10.8583 -9.5271 -7.2978 -10.717 0.7984 -0.1842 2.863 10.03504 -2.58141 8.4934997482 14.1800556452 0.091408533
+C      0.91624504     -0.07064797     -0.09895365
+C      2.43269587      0.03609035      0.08246748
+N      3.21638039     -0.65956856     -0.96383975
+C      2.94583658      1.49336105      0.12145386
+C      2.43093712      2.29936127      1.30509120
+O      4.37208143      1.48590804      0.17880707
+H      0.36844529      0.38756292      0.73704999
+H      0.60627478     -1.12398693     -0.16150006
+H      0.59725543      0.43110105     -1.02716291
+H      2.72340243     -0.42639793      1.04226793
+H      2.82585357     -0.44776984     -1.88764862
+H      3.15215699     -1.67257548     -0.84699358
+H      2.61122710      1.98765031     -0.82037063
+H      2.67307146      1.79210370      2.25113983
+H      1.34512006      2.45497767      1.24920969
+H      2.91598754      3.28455778      1.31441756
+H      4.61715891      0.70289256     -0.36509542 
+
+15
+-1473.479947323267 9.62116 10.25983 -9.0865 -7.112 -10.115 0.7913 -0.1709 0.448 9.75896 0.15479 4.351102691 5.8684309604 0.185875858
+C      2.18776962     -0.01588691      1.77974845
+C      2.52727568      0.17594108      0.30027156
+N      3.07400369      1.49939815     -0.00408237
+C      2.16846472      2.63251540     -0.06824736
+C      4.41744474      1.64671359     -0.22648200
+O      5.25216738      0.74719703     -0.18612112
+H      1.79321404     -1.02837846      1.94521195
+H      1.42610872      0.69780167      2.12526190
+H      3.08668823      0.10636465      2.39928452
+H      1.63244340      0.02352324     -0.32642220
+H      3.29275435     -0.54825273     -0.00985600
+H      1.39778777      2.47700489     -0.84084835
+H      2.73834536      3.53574377     -0.32244454
+H      1.66515246      2.80483996      0.89603629
+H      4.68165984      2.70480468     -0.46004074 
+
+15
+-1484.4464728338628 9.64447 10.51033 -9.2318 -7.2498 -10.494 0.7343 -0.2394 0.611 9.54513 0.03754 4.3560373338 12.4050348734 0.201713425
+C      2.57916796     -1.01612331      1.31195336
+C      3.00341898     -0.38253817     -0.01329903
+N      3.34915806      1.02842789      0.11055454
+C      4.64686297      1.47923509      0.08624450
+C      4.81673438      2.97651603      0.28735229
+O      5.61104310      0.73307327     -0.08945075
+H      2.33243972     -2.07763009      1.16545181
+H      1.69079273     -0.52023493      1.73102539
+H      3.39115049     -0.95025915      2.04900613
+H      2.20596565     -0.48885036     -0.76596629
+H      3.90393806     -0.87528285     -0.40428162
+H      2.60943221      1.69667750      0.30312790
+H      3.87021823      3.52983573      0.35265050
+H      5.41017982      3.37501917     -0.54548823
+H      5.39221764      3.14331419      1.20798949 
+
+15
+-1454.57987948585 9.74799 10.76467 -9.2823 -7.0915 -10.633 1.0596 -0.9938 -0.021 10.11275 0.62904 3.6636127196 12.914257774 0.114913908
+C      1.72943500     -0.98483185      0.40522367
+C      3.17958211     -0.52085436      0.34707275
+N      3.26817175      0.86497790     -0.12800126
+C      4.62846985      1.38630484     -0.16045477
+C      4.69222389      2.70446796     -0.90942702
+O      5.47782211      3.59986972     -0.66309342
+H      1.67055152     -2.03615774      0.71837835
+H      1.24961160     -0.88392529     -0.57797679
+H      1.15082131     -0.39132138      1.13003188
+H      3.74473447     -1.14801480     -0.36335422
+H      3.65802085     -0.66091336      1.34051281
+H      2.69310456      1.45789700      0.47787704
+H      5.24847443      0.68233447     -0.74885850
+H      5.12879147      1.50227765      0.82211835
+H      3.94352508      2.78805924     -1.73962886 
+
+11
+-1135.1508847982789 9.846015 9.92158 -9.1591 -7.1199 -9.691 0.4735 -1.2537 -0.217 9.16929 0.75396 3.9322531858 11.355195817 0.520257204
+C      0.98908172      0.00221222     -0.00575292
+C      2.49477091     -0.04308274     -0.00035206
+N      3.19747593     -1.13876439      0.00120291
+O      2.34786484     -2.26390103     -0.00352232
+C      3.23492008      1.17281564      0.00324516
+C      3.78558597      2.25746073      0.00171708
+H      0.63151193      1.03628714     -0.00207564
+H      0.59343767     -0.52711979      0.87299390
+H      0.60006818     -0.51812675     -0.89284441
+H      2.99325536     -2.99332386     -0.00166807
+H      4.29677741      3.19826283      0.00223637 
+
+13
+-1317.758671271732 8.879038 9.58572 -9.2546 -7.1967 -10.622 1.0987 -0.7367 0.115 9.64421 0.57912 3.7264116286 12.0744634002 0.209252471
+C      1.97973893     -0.38975050     -1.54336306
+C      2.77785341     -0.17705067     -0.27636021
+O      3.00910190     -1.08137595      0.51763360
+C      3.32747971      1.19596645     -0.00657879
+C      3.96093666      2.02219656     -1.09011055
+N      2.62419987      2.36408366     -0.60045166
+H      2.67287695     -0.61258160     -2.37009371
+H      1.41054037      0.50906690     -1.81280069
+H      1.32209007     -1.25588813     -1.41336927
+H      3.75462359      1.29088872      0.99521317
+H      3.98984336      1.63706795     -2.11192670
+H      4.81860005      2.63299316     -0.79873035
+H      2.67673512      3.14890345      0.05643822 
+
+15
+-1446.1862901409909 9.355055 10.36364 -9.6394 -7.4155 -11.128 0.9289 -0.0326 2.815 10.49099 -2.50614 8.8327254442 11.8881868338 0.118032685
+C      0.92240902      0.15068025      0.05822210
+C      2.42508739      0.02547405     -0.13640807
+O      2.65148220     -0.55168836     -1.43211243
+C      3.13948111      1.35881891     -0.03662916
+C      3.94431561      1.73108940      1.15605698
+N      4.61763227      1.24632297     -0.07132132
+H      0.69523498      0.56678097      1.04965146
+H      0.44492219     -0.83428144     -0.02621008
+H      0.48976793      0.80948524     -0.70879656
+H      2.84586084     -0.64142507      0.64305529
+H      3.62062944     -0.54715246     -1.55003949
+H      2.68218942      2.17262319     -0.61072283
+H      3.99919337      1.04306407      2.00344898
+H      4.02222114      2.78948597      1.41594509
+H      5.01389309      2.04137231     -0.58128998 
+
+17
+-1586.0927632854214 10.262891 11.32628 -9.2591 -6.8992 -10.538 1.0222 0.0664 3.309 9.89597 -3.14945 8.721051254 12.1126386896 0.134243066
+C      1.35387092      1.88473335     -1.10039585
+C      2.58109793      1.34153500     -0.39290806
+O      3.66579249      2.24677199     -0.59047617
+C      4.86192132      1.80913011      0.05577137
+C      5.92549262      2.87470767     -0.13425111
+N      5.54631164      4.10272001      0.57662699
+H      0.50330643      1.20309327     -0.96073460
+H      1.54064972      1.99032138     -2.17795128
+H      1.07783958      2.86928800     -0.69801695
+H      2.85124115      0.34181889     -0.79092282
+H      2.38714740      1.22110913      0.69214960
+H      5.20107634      0.84777225     -0.38016753
+H      4.67395844      1.65800339      1.13724826
+H      6.09026368      3.00708662     -1.22299484
+H      6.86626620      2.49501323      0.29590722
+H      4.66505364      4.44534364      0.18465959
+H      6.24174051      4.83254209      0.40992620 
+
+11
+-1175.0753782909728 8.902425 9.55459 -9.7116 -7.5114 -9.986 1.3098 -0.3778 0.764 11.8751 -0.90368 5.4179650252 6.4846041846 0.374050029
+C      3.46518048     -1.35034013     -1.79112777
+C      2.85452228     -0.74580971     -0.76330525
+O      3.37018755      0.18339943      0.10176739
+C      4.73267095      0.53789588     -0.14030426
+C      5.14817167      1.52640471      0.85270193
+N      5.52598886      2.31473026      1.62256641
+H      2.89835184     -2.06983880     -2.37787489
+H      4.49814978     -1.17042513     -2.08290900
+H      1.81644713     -0.94595216     -0.49348262
+H      4.85084468      0.96814497     -1.15115073
+H      5.38676479     -0.34929932     -0.06333121 
+
+13
+-1338.0160453609965 10.352054 10.18152 -8.5409 -6.6097 -9.214 0.6744 -0.9781 -0.518 8.94262 1.14538 3.5281332174 4.6992057846 0.440646133
+C      3.38058958     -1.31779426      0.39213814
+C      2.55808620     -0.04118039      0.23113910
+O      1.32354755     -0.09145986      0.27923763
+C      3.24290032      1.23152103      0.02198891
+C      4.59368244      1.38127817     -0.03062846
+N      5.26299146      2.54920940     -0.28280370
+H      4.05712905     -1.25383829      1.25748004
+H      3.99312629     -1.51359573     -0.50057415
+H      2.68983657     -2.15469716      0.54147406
+H      2.58409018      2.09674044     -0.09598894
+H      5.25036678      0.51615871      0.09176017
+H      4.74752644      3.42375778     -0.25345708
+H      6.24714716      2.61251019     -0.05163572 
+
+11
+-1202.9585548152609 8.334432 9.0565 -10.1457 -8.065 -11.087 0.5726 -1.3351 -0.285 10.1676 1.00092 3.7303171876 11.9965010034 0.410320424
+C      1.05583087     -0.01898643      0.19756170
+C      2.41999331      0.03532109     -0.43231776
+O      2.79031903     -0.70816106     -1.32033949
+C      3.40362998      1.13692782      0.05899164
+C      3.12544735      1.70556593      1.36813490
+N      2.87997512      2.13853064      2.42349981
+H      0.57047887      0.96766203      0.15016724
+H      1.15038788     -0.25972040      1.26728911
+H      0.44288171     -0.77303474     -0.30596223
+H      3.37415212      1.93967744     -0.69646062
+H      4.41822374      0.71532768      0.03107570 
+
+17
+-1596.4275364016785 9.9292 10.70134 -9.3762 -7.1692 -10.586 0.7612 -0.245 2.979 10.03836 -2.71074 8.6290908378 11.9522132042 0.117830441
+C      3.33416253     -1.09305915     -1.19187474
+C      2.78084293     -0.24805354     -0.03896471
+O      3.13015864     -0.81443484      1.23042940
+C      3.18216210      1.23841922     -0.12344709
+C      4.68881769      1.50883786     -0.06493988
+N      5.26518503      1.00955314      1.20526932
+H      3.01024909     -0.70347825     -2.16986422
+H      2.97329476     -2.12545505     -1.09286766
+H      4.43373227     -1.12507150     -1.17710594
+H      1.67820621     -0.29163646     -0.08690822
+H      4.03861840     -0.47429129      1.41881801
+H      2.68501865      1.77263387      0.70458457
+H      2.78685271      1.66975540     -1.05807039
+H      4.87337924      2.58762982     -0.22878009
+H      5.19577024      0.97676937     -0.88477778
+H      4.97184135      1.61265079      1.97902042
+H      6.28587816      1.05357060      1.17506899 
+
+13
+-1330.90435353876 8.891374 9.90993 -10.7886 -8.5117 -11.755 0.6195 -0.4848 1.458 11.35917 -1.09934 5.3916303988 11.821693142 0.264658589
+C      0.90544655      0.05446237      0.30861378
+C      2.39492274      0.00403926     -0.01861123
+O      2.65053820     -0.60334049     -1.28404763
+C      3.02403312      1.41765702      0.07042978
+C      4.46878032      1.42161232     -0.13144885
+N      5.62595572      1.42934187     -0.27489277
+H      0.72950632      0.42967596      1.32705932
+H      0.47449239     -0.95187239      0.23102947
+H      0.36935791      0.71519696     -0.39196815
+H      2.91126152     -0.64575620      0.70506969
+H      2.12370950     -0.13650702     -1.95868085
+H      2.81157294      1.85842017      1.05761077
+H      2.55922278      2.07802017     -0.68124333 
+
+13
+-1318.4569667979672 8.910072 9.88876 -10.649 -8.4123 -11.996 1.1423 -0.2833 1.259 11.5819 -0.90322 5.4016608662 11.4751026776 0.168976486
+C      1.02208666     -1.68511618      0.04437706
+C      1.93685163     -0.48090609      0.12705344
+O      1.11558045      0.69382450      0.27440613
+C      1.86859466      1.88257353      0.39680540
+C      2.60035171      2.24320889     -0.83407438
+N      3.17925202      2.51290000     -1.80995298
+H      1.61918621     -2.60067505     -0.06458743
+H      0.35213178     -1.60373269     -0.82189247
+H      0.41026104     -1.77519676      0.95212812
+H      2.55477019     -0.38955510     -0.78469170
+H      2.62035654     -0.55704130      0.99520896
+H      2.60290471      1.82360918      1.22420038
+H      1.15809240      2.68913708      0.62951946 
+
+13
+-1323.1579154609951 8.954493 9.67513 -9.3294 -7.3419 -10.53 1.2374 -0.2633 0.459 9.66009 0.22274 4.1575109506 13.2607118538 0.226638772
+C      1.40571441      0.40713816     -1.09630876
+C      2.78905228      0.29872334     -0.48724335
+O      3.53344330     -0.65669570     -0.66312655
+N      3.12746705      1.36282409      0.36499435
+C      4.46594310      1.91395825      0.41857012
+C      3.31029595      2.74246348     -0.07704577
+H      1.47203072      0.94471602     -2.05461971
+H      0.71456860      0.95751145     -0.44594346
+H      1.02301672     -0.59871422     -1.30067637
+H      5.18175598      1.53813931     -0.31694816
+H      4.86333206      2.09493442      1.41922639
+H      2.87523826      3.51400211      0.56281438
+H      3.26633158      2.94139928     -1.15140313 
+
+13
+-1343.6360805466222 10.154415 10.2736 -8.744 -6.7383 -9.16 1.1561 -0.5208 0.229 8.63431 0.44187 4.2797983424 5.3132712468 0.306714698
+C      1.10788722     -0.06284685      0.33245675
+C      2.60715393     -0.21904458      0.16204678
+O      3.16506688     -1.31154164      0.15390316
+N      3.30802474      0.97534284      0.03709504
+C      4.69614689      1.03715548     -0.08703148
+C      5.40169119      2.17231518     -0.20107140
+H      0.73554203      0.94115871      0.08994138
+H      0.84728074     -0.29272827      1.37524177
+H      0.60439802     -0.80154356     -0.30255994
+H      2.78467339      1.84729400      0.04800058
+H      5.15582674      0.04813596     -0.08122271
+H      4.93115953      3.15731834     -0.20610254
+H      6.48456871      2.13068440     -0.29250739 
+
+15
+-1428.2916166419657 10.435659 11.08574 -9.0262 -6.9695 -10.377 1.6937 -0.0879 0.575 9.89379 0.02554 5.4301280518 12.8834224558 0.334462319
+C      0.68374302     -0.29766258      0.25232802
+C      2.07929488     -0.86221794      0.07577216
+O      2.94535853      0.23875406     -0.26717705
+N      4.25633715     -0.25180222     -0.44470517
+C      5.06627453      0.69211066     -0.76248177
+C      6.50779641      0.38494999     -0.99513695
+H     -0.01171235     -1.10639483      0.51556523
+H      0.32921956      0.17426752     -0.67444811
+H      0.66039640      0.45225057      1.05508448
+H      2.11307767     -1.61302327     -0.73117614
+H      2.44536559     -1.33494809      1.00240341
+H      4.70599508      1.72618650     -0.86412466
+H      6.70080523     -0.68506655     -0.85162904
+H      7.14504100      0.95931730     -0.30466194
+H      6.80693731      0.66872887     -2.01628248 
+
+15
+-1436.6461826059663 9.548567 10.48767 -9.1764 -7.0599 -10.615 0.9317 -0.0525 3. 9.93766 -2.67492 8.4288286506 11.7055058614 0.132782884
+C      1.17470586     -0.08679192      0.01425886
+N      2.63356431     -0.07750284     -0.06698199
+C      3.20598269     -0.61797627     -1.30462264
+C      3.21392678      0.85586163     -1.03527798
+C      4.47423045      1.58029837     -0.62130605
+O      5.22971549      2.04650008     -1.74619600
+H      0.84762734      0.70033864      0.70866953
+H      0.84261873     -1.05636374      0.41278575
+H      0.67781543      0.07881842     -0.96319067
+H      2.51441355     -0.98003064     -2.07329862
+H      4.11822206     -1.20933011     -1.18104245
+H      2.51318462      1.45031396     -1.63598735
+H      5.07150807      0.91915596      0.03238116
+H      4.22341559      2.48315595     -0.04412271
+H      5.45059903      1.26855252     -2.28920885 
+
+13
+-1306.507924727144 9.205121 9.86929 -9.4909 -7.356 -10.89 0.8934 -1.0304 -0.111 10.012 0.72767 3.6787762074 13.7315486888 0.255658115
+C      1.07214184      0.06873266     -0.16206677
+N      2.52135874      0.01617282      0.02904893
+C      3.26619140     -0.77578639     -0.92806738
+C      3.31087358      0.73333978     -0.99136942
+C      4.51787165      1.44754290     -0.49905898
+O      5.05205596      2.37336582     -1.08422935
+H      0.68623913      1.00155557      0.27103985
+H      0.61647099     -0.77668288      0.37231895
+H      0.76778532      0.01793775     -1.22612897
+H      2.72535092     -1.26017737     -1.74900359
+H      4.12220371     -1.32886683     -0.53292260
+H      2.78836896      1.20356769     -1.83167016
+H      4.91479781      1.05064847      0.47082950 
+
+13
+-1337.9134084744119 9.057311 9.66949 -9.1232 -7.1361 -10.082 0.7856 -0.1355 0.694 9.63563 0.00339 4.4865945918 11.7194790836 0.151737632
+C      1.09976007     -0.00738290      0.23995573
+N      2.50731433      0.00530780     -0.07698701
+C      3.49380091      1.09223082     -0.17220992
+C      4.55085486      0.01418096     -0.53614900
+C      3.39483213     -1.00511478     -0.39475336
+O      3.25685490     -2.20977792     -0.50398846
+H      0.76013916     -1.05007668      0.19556180
+H      0.51917300      0.58705065     -0.48343543
+H      0.91218638      0.38475171      1.25235033
+H      3.66590620      1.61850743      0.78010337
+H      3.27325118      1.82250204     -0.96693151
+H      4.96616183      0.08137987     -1.54904940
+H      5.35917505     -0.12196901      0.19252286 
+
+13
+-1312.294645583834 9.023816 9.62969 -9.0283 -6.9262 -10.556 0.9836 -0.9168 0.279 9.75281 0.46373 3.764338946 11.740420319 0.110098635
+C      1.00999181     -0.00332737      0.07994391
+N      2.46187845      0.02883602      0.05647825
+C      3.12432571      1.07262643      0.88537010
+C      4.07650505     -0.01601873      1.39731370
+O      5.10676022     -0.03115587      2.02430632
+C      3.17000485     -1.07622936      0.75848723
+H      0.64916615     -0.86632685     -0.49734861
+H      0.61159361      0.90530992     -0.39321638
+H      0.59246554     -0.07273189      1.10969039
+H      2.49875586      1.46218017      1.71558465
+H      3.56005649      1.91835473      0.33177865
+H      3.63984487     -1.83169019      0.11031408
+H      2.56356140     -1.58697703      1.53546772 
+
+15
+-1440.145624922871 9.518162 10.2181 -8.6955 -6.5916 -10.028 0.9546 0.0094 3.063 9.26271 -2.82116 7.8978338084 12.1967879878 0.10252911
+C      0.99943683     -0.00104946      0.04053997
+N      2.44805322      0.01695363      0.08028115
+C      3.11589917      1.03342110      0.93123228
+C      4.20966749     -0.01857695      1.25162953
+O      5.36742499      0.03934449      0.43031626
+C      3.14481606     -1.06211202      0.82418776
+H      0.65322800     -0.86686271     -0.54291535
+H      0.62860570      0.90832265     -0.45487236
+H      0.54216922     -0.05772003      1.05412657
+H      2.52790801      1.29716651      1.83565519
+H      3.43163037      1.95375403      0.41487246
+H      4.56982012     -0.06642642      2.28587555
+H      5.05610096      0.08165091     -0.49333892
+H      3.48486733     -1.91616102      0.21732433
+H      2.56561252     -1.43253471      1.69631557 
+
+15
+-1440.4473964796778 9.556642 10.57457 -8.7884 -6.5875 -10.025 1.0193 0.0661 3.366 9.33347 -3.05791 8.05847007 11.0638411156 0.264918119
+C      2.88117977     -1.14561724     -0.47573359
+N      2.36432214      0.09844870      0.09862706
+C      3.36635343      1.12667264      0.21036032
+C      3.58339162      2.04315056     -0.98449619
+C      2.91129781      2.55157510      0.27117292
+O      3.61439548      3.39579619      1.15816340
+H      2.08180922     -1.89920574     -0.49378367
+H      3.75056368     -1.56982306      0.06760537
+H      3.19434834     -0.96139743     -1.51424963
+H      1.96727640     -0.08703235      1.02320101
+H      4.27641254      0.91473897      0.79322545
+H      2.95545630      1.88283147     -1.86159574
+H      4.60498777      2.37350816     -1.17401567
+H      1.82893080      2.71287735      0.22324796
+H      3.65954470      4.27794668      0.74845100 
+
+15
+-1434.2905290320848 9.368391 10.20093 -9.0248 -6.8168 -10.275 0.8921 -0.093 3.075 9.55968 -2.82685 8.0586932448 14.3733746164 0.084814811
+C      2.19425890     -0.53569832     -1.35254098
+N      2.29852188      0.06893394     -0.02373473
+C      3.12126481      1.26810039     -0.01615335
+C      2.42661529      2.57479600     -0.46043985
+O      2.78331475      3.23633690      0.79036253
+C      3.25931034      1.97577380      1.34389019
+H      1.62388166     -1.47186235     -1.28614119
+H      3.17316749     -0.75178147     -1.82981565
+H      1.63991266      0.14084628     -2.02080718
+H      2.70067397     -0.61304762      0.62506155
+H      4.09872162      1.13173158     -0.52454313
+H      1.33349913      2.46553528     -0.56768860
+H      2.84702395      3.10344003     -1.33004087
+H      4.27298516      2.07059348      1.76354616
+H      2.56656838      1.57770209      2.10633510 
+
+15
+-1434.383833556973 9.482028 10.55545 -9.0225 -6.7851 -10.35 0.9151 -0.0524 2.927 9.63978 -2.64532 8.1440080114 11.3538567682 0.36254864
+C      1.14659611     -0.21131551     -0.29354558
+N      2.59649504     -0.11580270     -0.13058919
+C      3.06067869      1.26548176     -0.01383217
+C      4.55162520      1.30053449      0.23041303
+C      5.51197385      1.48857776     -0.87230380
+O      5.20513701      2.56926913      0.03048503
+H      0.86246536     -1.26166183     -0.44515017
+H      0.74330855      0.38563243     -1.13848149
+H      0.65287803      0.13779362      0.62647744
+H      3.05520600     -0.55354172     -0.93388977
+H      2.54858599      1.72188203      0.85087973
+H      2.82507377      1.90105992     -0.89569227
+H      4.89164896      0.75018311      1.11624336
+H      5.13469279      1.61912502     -1.89334567
+H      6.52521464      1.08220251     -0.78661848 
+
+17
+-1588.535955749836 10.098414 10.90052 -9.1426 -6.9612 -10.182 0.8486 -0.1168 3.078 9.52571 -2.82561 8.1727107704 11.597588447 0.11020648
+C      1.50782841     -0.44046414      0.62969580
+N      2.94212037     -0.32965205      0.35419083
+C      3.36004640      1.04857905      0.03620699
+C      4.87613503      1.14117075     -0.15215047
+C      5.66147670      0.78099819      1.11251796
+O      5.48102304     -0.57381060      1.51721604
+H      1.24186727     -1.49494424      0.78159765
+H      0.86924385     -0.02790738     -0.17717502
+H      1.27277181      0.10301781      1.55664530
+H      3.17540128     -0.92829410     -0.44411083
+H      3.05913343      1.68369989      0.88826174
+H      2.83108194      1.44628300     -0.85629276
+H      5.12988110      2.17066065     -0.45494502
+H      5.19232718      0.47924357     -0.97766308
+H      5.37057575      1.48011209      1.92581075
+H      6.73999865      0.92177760      0.93716799
+H      4.51307778     -0.74373007      1.40246615 
+
+13
+-1334.2220803939895 10.013235 9.93081 -8.7744 -6.8061 -9.255 1.2429 -0.4903 0.02 8.6797 0.59613 4.2615724004 5.167860466 0.392125043
+C      0.98980094      0.09687354     -0.13026594
+N      2.44430963      0.08402027     -0.04031254
+C      3.14796674     -1.11905997     -0.13067360
+C      2.61030996     -2.33805478     -0.30077136
+C      3.12614997      1.27783229      0.13675247
+O      2.60498993      2.37973112      0.22721853
+H      0.66286671      1.13742704     -0.03682748
+H      0.55438805     -0.50693017      0.67903203
+H      0.66615696     -0.31240361     -1.09814948
+H      4.22984060     -0.98998366     -0.04827298
+H      1.53858174     -2.50882163     -0.38686930
+H      3.26575644     -3.20416307     -0.35640412
+H      4.22575233      1.11648262      0.18733377 
+
+17
+-1582.0630695786876 10.133427 10.84376 -8.7979 -6.7349 -9.884 0.8898 -0.0631 3.213 9.09152 -2.95358 7.7091023192 11.1449279596 0.099125963
+C      0.94156898     -0.71069164      0.47402120
+N      2.13879394     -0.09529419     -0.09879650
+C      2.94030676     -1.08824255     -0.81055216
+C      1.81708983      1.06142539     -0.94688310
+C      1.48192300      2.27660455     -0.08047780
+O      2.50145190      2.49036250      0.89131135
+H      0.37008509      0.02730954      1.05224395
+H      1.23529916     -1.51925494      1.15799300
+H      0.27158510     -1.13799152     -0.30382607
+H      3.22542306     -1.89517465     -0.12013711
+H      3.85932582     -0.62087079     -1.19016051
+H      2.39997924     -1.54510508     -1.66804814
+H      0.98899622      0.84785919     -1.65864085
+H      2.71563319      1.29548645     -1.53809382
+H      0.49414010      2.14938992      0.40588929
+H      1.41999945      3.17558838     -0.71276052
+H      2.79899915      1.58096943      1.11626782 
+
+15
+-1475.4273352845878 9.629739 10.29605 -8.9014 -6.9372 -10.046 0.7507 -0.1892 0.607 9.41365 0.07068 4.307645598 12.968625635 0.209824445
+C      0.95681143     -0.10420397     -0.03152914
+N      2.40504562      0.01093490     -0.00779092
+C      3.13592297     -1.24851152     -0.01261672
+C      3.11094678      1.19829413      0.00997683
+C      2.30578006      2.49097101      0.01645092
+O      4.34515654      1.22190086      0.02322496
+H      0.48157302      0.87946540      0.00650677
+H      0.60189274     -0.69244518      0.83207153
+H      0.62089733     -0.61651608     -0.95003055
+H      2.88721739     -1.84288144      0.88140359
+H      4.20665933     -1.02123596     -0.01552993
+H      2.88045166     -1.83998402     -0.90657617
+H      1.66113133      2.58267165     -0.86926413
+H      3.02423556      3.31625339      0.01804214
+H      1.66990823      2.57338685      0.90977084 
+
+15
+-1448.098675287117 9.709832 10.43968 -8.9123 -6.8067 -10.261 1.0438 -1.0001 0.019 10.07573 0.59899 3.6783670536 12.4383127158 0.128391669
+C      1.12168529     -0.33842183      0.28420263
+N      2.31608040     -0.27012485     -0.55303500
+C      2.30902685     -1.32274671     -1.56798853
+C      2.47845953      1.04189497     -1.16353542
+C      3.89084787      1.25269089     -1.68201153
+O      4.18587251      2.01248966     -2.58393216
+H      1.17520105      0.42653058      1.07176763
+H      1.07139241     -1.32389393      0.76891033
+H      0.17854680     -0.18761281     -0.28597228
+H      2.25805736     -2.30549878     -1.07897115
+H      3.23608077     -1.28653216     -2.15832094
+H      1.45122788     -1.23581954     -2.27128900
+H      2.33181836      1.81348737     -0.38579689
+H      1.75451625      1.26488419     -1.97814796
+H      4.66763666      0.66049294     -1.13017971 
+
+13
+-1328.0558512376795 10.952058 10.58212 -8.3412 -6.4674 -9.037 0.7224 -0.9207 -0.593 8.38642 1.23164 3.539552328 4.5191161196 0.536079747
+C      1.01394562     -0.01967453     -0.29307681
+N      2.46192991     -0.01409420     -0.16997468
+C      3.20096333      1.11755349     -0.04488787
+C      4.55972925      1.22662216     -0.12915667
+C      5.19028752      2.50957426      0.07876806
+O      6.39959072      2.73542848      0.02455649
+H      0.60604705     -0.94690009      0.13054774
+H      0.67651456      0.06795178     -1.33987955
+H      0.59869455      0.82190828      0.27657674
+H      2.95252816     -0.86129803     -0.44540882
+H      2.61211711      2.01630390      0.17230486
+H      5.19923477      0.36856443     -0.35175709
+H      4.46733745      3.34269007      0.30319760 
+
+17
+-1587.6917811983917 9.875073 10.69865 -9.0966 -6.9578 -10.122 0.8073 -0.1645 2.97 9.36287 -2.68572 7.9018633534 10.9074575738 0.106861026
+C      3.78626771      0.76887912      2.74254103
+N      3.62658397      0.49140927      1.31169248
+C      3.57010564      1.66557487      0.41150169
+C      2.64135210      2.80786519      0.83657946
+C      5.01344199      2.15038816      0.18804844
+O      5.86587849      1.05892536     -0.12929971
+H      3.84679191     -0.18618288      3.28190231
+H      2.97170809      1.36688440      3.19206753
+H      4.73294312      1.30020008      2.91648232
+H      2.80272527     -0.09201827      1.16328276
+H      3.21898813      1.26389280     -0.55426673
+H      2.97743945      3.28628853      1.76806638
+H      1.61157293      2.45165236      0.98740635
+H      2.61474579      3.58417270      0.05755910
+H      5.37273089      2.68774931      1.09104496
+H      5.04002003      2.86623777     -0.64867494
+H      5.45412449      0.31015123      0.36293657 
+
+15
+-1455.234324064115 9.527954 10.26795 -8.8275 -6.6309 -10.088 0.9585 -0.9924 -0.033 9.47674 0.65521 3.6350091494 8.223061485 0.118976061
+C      2.69626977     -0.81835072     -0.99726269
+N      2.51639421     -0.01087481      0.21488392
+C      3.03073195      1.34497717      0.09665501
+C      2.53261740      2.22960774      1.25522635
+C      4.55399409      1.46380870      0.04682642
+O      5.32389121      0.57013092      0.34686011
+H      2.30155383     -1.82688715     -0.81377347
+H      3.74412115     -0.91445973     -1.33782315
+H      2.10404665     -0.37737828     -1.81391891
+H      3.00296950     -0.46975072      0.99093861
+H      2.65071978      1.77779612     -0.84884883
+H      2.85743646      1.81187051      2.21951478
+H      1.43634359      2.26202609      1.24250179
+H      2.92057967      3.25553365      1.18010437
+H      4.93981075      2.47369050     -0.26004431 
+
+17
+-1587.738758127458 10.096624 11.02633 -8.8443 -6.6379 -10.178 0.9628 -0.0287 3.042 9.48403 -2.75625 8.17129733 12.3354043358 0.10730807
+C      1.43144698     -0.27357343     -0.29120918
+N      2.82312463      0.04210108     -0.61062325
+C      3.30479268      1.23866392      0.08100792
+C      4.81849211      1.42329138     -0.11265991
+C      5.64633665      0.37154435      0.61971311
+O      5.14536929      1.46033874     -1.51829534
+H      1.09695070     -1.12371355     -0.90218405
+H      0.72592971      0.56901477     -0.45191744
+H      1.35639604     -0.57337070      0.76547044
+H      2.89249022      0.22200588     -1.61594594
+H      3.09670620      1.12266071      1.15841566
+H      2.78302835      2.16200129     -0.25093997
+H      5.08578546      2.42603847      0.26061266
+H      5.35252450     -0.63875415      0.29662956
+H      5.48670411      0.43421803      1.70620853
+H      6.71623783      0.52046993      0.42012012
+H      5.23917454      0.53419329     -1.80565291 
+
+15
+-1460.0829851473839 9.601881 10.49567 -9.1679 -6.9665 -10.531 1.2197 -0.6073 0.272 9.6436 0.43475 3.7396161376 11.9161456768 0.215673499
+C      1.83125902     -0.40238067      1.32141347
+N      3.10705346     -0.23848787      0.62230745
+C      3.26703656      1.09563715      0.05406801
+C      4.66087297      1.38241610     -0.51096824
+C      5.83025190      0.63757909      0.09109535
+O      4.80013371      2.21717850     -1.39369441
+H      1.73481645     -1.44024935      1.66818482
+H      0.94043234     -0.15419394      0.70853641
+H      1.81846080      0.24840470      2.20924314
+H      3.16083008     -0.93020544     -0.12957624
+H      3.13172946      1.82759018      0.87312809
+H      2.52799470      1.36821785     -0.72636637
+H      5.77479538      0.64887324      1.18847008
+H      6.76707652      1.07839820     -0.26540801
+H      5.78844665     -0.42335774     -0.19852354 
+
+15
+-1454.3063900406016 9.688171 10.62829 -8.9614 -6.7305 -10.32 1.2512 -0.8326 -0.043 10.13119 0.65101 3.6764824664 11.7103661126 0.188452552
+C      1.00550141     -0.07726302     -0.03158383
+N      2.46437683      0.00771613      0.03153610
+C      2.94699885      1.38398357     -0.08468432
+C      4.46762998      1.42923409     -0.01564441
+C      5.06238547      2.81225854      0.01534388
+O      4.42586515      3.85061274      0.02869903
+H      0.69754936     -1.13178174     -0.01745032
+H      0.56013793      0.40620523     -0.92649635
+H      0.57408851      0.40826899      0.85733442
+H      2.86126376     -0.55118144     -0.72919892
+H      2.53214327      1.96535552      0.75456426
+H      2.60087383      1.89518558     -1.00844267
+H      4.93440352      0.89463559     -0.86519213
+H      4.82966223      0.89240772      0.88122426
+H      6.18429989      2.83333251      0.03280102 
+
+17
+-1576.9017350684064 10.362256 11.39024 -8.6566 -6.4505 -9.989 1.0251 0.1047 3.353 9.26892 -3.09197 8.160386562 11.3822123664 0.108742407
+C      1.22444724     -0.21239382      0.83487756
+N      2.64811517     -0.02010475      0.57489463
+C      2.97262166      1.35903354      0.22202945
+C      4.43419907      1.49348399     -0.15931672
+O      4.66309000      0.73367657     -1.34757428
+C      6.02780105      0.75558428     -1.73656481
+H      1.02294342     -1.27751948      1.01408685
+H      0.56132402      0.13499849      0.01353085
+H      0.93839998      0.33724296      1.74581967
+H      2.93808893     -0.61726609     -0.20366386
+H      2.78259082      2.00306381      1.09808105
+H      2.34743479      1.75340599     -0.61063549
+H      5.07505041      1.11256184      0.66037483
+H      4.68607040      2.55862050     -0.33419017
+H      6.11642968      0.14937983     -2.64702144
+H      6.68077879      0.32842324     -0.95202455
+H      6.37044456      1.78532909     -1.95458358 
+
+13
+-1337.79090870183 9.75412 10.12761 -9.3074 -7.3769 -10.335 0.5876 -1.1522 -0.297 9.44444 0.80949 4.1161120252 5.830875601 0.434547395
+C      1.14595105     -0.29685613     -0.19996778
+N      2.59057589     -0.13916149     -0.20177042
+C      3.18136463      1.02319824      0.22981223
+O      2.52044225      1.96863530      0.66794246
+C      4.67379441      1.02859956      0.12917547
+C      5.38073676      2.10223533      0.49947472
+H      0.89920705     -1.34069003     -0.42477168
+H      0.66773382      0.35725086     -0.94549216
+H      0.74221663     -0.03105503      0.78628014
+H      3.16912929     -0.86828502     -0.60514932
+H      5.17279248      0.13304092     -0.25504450
+H      4.85691365      2.98162286      0.88003877
+H      6.46824210      2.12708463      0.43430207 
+
+11
+-1174.0097442190943 9.113824 9.53956 -9.5574 -7.6197 -10.578 0.6226 -1.2002 -0.283 9.65586 0.81077 3.872516731 11.2398144454 0.354501076
+C      0.96399974     -0.09484829      0.00613614
+N      2.40863732      0.10061443     -0.00179084
+C      3.06426350      1.30303854      0.00084450
+O      4.29291995      1.40737759     -0.00281492
+C      2.20091344      2.47807568      0.00802359
+C      1.55336265      3.50549375      0.01413110
+H      0.76323381     -1.17193624     -0.00940493
+H      0.49016914      0.35785156     -0.87678437
+H      0.50208791      0.33021971      0.90912427
+H      3.02459156     -0.70873380     -0.00401172
+H      0.99295099      4.41877706      0.01948719 
+
+13
+-1274.0785837817364 9.555371 10.0172 -9.343 -7.2688 -10.717 1.3767 -0.5397 0.318 10.2928 0.20311 5.390043378 6.5370130668 0.358162311
+C      2.67429646      0.84683690     -1.29256070
+N      3.83947631      1.21633523     -0.91074510
+O      4.82533393      0.30008922     -1.35002213
+C      6.09936441      0.73489817     -0.90476673
+C      7.24240718      0.26551921     -1.74887731
+C      6.85458918      1.73315985     -1.73504257
+H      1.84613204      1.49000425     -0.99385680
+H      2.49424396     -0.05825910     -1.88485957
+H      6.20043610      0.75647528      0.18307037
+H      6.98507640     -0.30707037     -2.64009279
+H      8.15491694     -0.05048579     -1.24396692
+H      7.49790108      2.44577121     -1.21846435
+H      6.34327599      2.12061593     -2.61599541 
+
+11
+-1116.8919330840497 9.747057 10.11209 -9.7411 -7.5706 -9.861 1.2031 -0.7229 0.217 9.47604 0.31241 4.4173856066 10.9261050682 0.568668401
+C      1.20352838     -0.25263254     -0.70580923
+N      2.43914786     -0.18469914     -0.37669106
+O      2.89344485      1.14872895     -0.38530056
+C      4.29120874      1.13509089     -0.00468526
+C      4.78733161      2.50066548     -0.00192034
+C      5.23459149      3.62744325      0.01051580
+H      0.76937068     -1.25237872     -0.72473468
+H      0.59848989      0.62587256     -0.95745417
+H      4.85927819      0.51740812     -0.72040684
+H      4.39338434      0.68301522      0.99611994
+H      5.62695399      4.62395594      0.02065641 
+
+15
+-1435.2830855641823 9.604749 10.54562 -8.8475 -6.6258 -10.017 0.9485 0.012 3.256 9.57493 -2.94928 8.079671676 9.9510171712 0.120887986
+C      2.42750001     -0.88141545     -0.77046009
+O      2.05145889      0.28511415     -0.03857778
+C      3.12565927      1.17307138      0.12882049
+C      3.50448341      2.11331168     -1.00508603
+C      2.80416872      2.64063104      0.22547916
+N      3.48198599      3.56998888      1.10343870
+H      1.52634085     -1.49943798     -0.87029266
+H      3.20460677     -1.45864322     -0.23616018
+H      2.80815821     -0.62232186     -1.77467570
+H      3.94522494      0.79163538      0.75487277
+H      2.92093370      2.05704035     -1.92464284
+H      4.56123381      2.35251687     -1.14426800
+H      1.74538944      2.87559241      0.08358885
+H      4.49315031      3.42324012      1.06911986
+H      3.19372566      3.41518626      2.07359344 
+
+15
+-1431.8491049338065 9.417075 10.23947 -8.7802 -6.5635 -10.21 0.8925 -0.0828 3.074 9.65257 -2.79713 8.2017110958 14.1238279942 0.126753278
+C      2.07010961     -0.49485827     -1.32796458
+O      2.23640843      0.07495817     -0.03422625
+C      3.03032483      1.24410452     -0.05937735
+C      2.41415341      2.59455922     -0.51629462
+N      2.97233083      3.26907346      0.70830693
+C      3.24057389      1.91320808      1.30745017
+H      1.48036551     -1.41161605     -1.20264356
+H      3.04553821     -0.75159214     -1.78364285
+H      1.53116034      0.18660224     -2.01156511
+H      3.99005357      1.04493216     -0.57878229
+H      1.31260737      2.57930870     -0.47285622
+H      2.73551317      3.01612663     -1.47959801
+H      3.86725441      3.70251927      0.46409351
+H      4.21589909      1.78584868      1.79747983
+H      2.44068733      1.64303534      2.01490040 
+
+15
+-1431.6040902922343 9.539958 10.62124 -9.5587 -7.3087 -11.016 1.0194 0.0597 3.126 10.36896 -2.8247 8.9026039538 11.6487202734 0.159257753
+C      1.36994306     -0.22751028     -0.66712615
+O      2.76995719      0.00335719     -0.62300638
+C      3.08258275      1.19864258      0.08748233
+C      4.57867886      1.36860928      0.12303729
+C      5.29836548      2.07693197     -0.96736672
+N      5.03887439      2.76091441      0.31999162
+H      1.21278745     -1.16267672     -1.21953545
+H      0.83899333      0.59278001     -1.18715677
+H      0.94194499     -0.33126092      0.34845117
+H      2.68014965      1.14448747      1.12044361
+H      2.62647169      2.08278225     -0.40056475
+H      5.12269576      0.56808948      0.63434820
+H      4.72932552      2.47062788     -1.81310236
+H      6.31601953      1.75607647     -1.20138736
+H      5.89201035      2.75976893      0.88714172 
+
+17
+-1582.0344463838578 10.240196 11.35439 -9.2217 -6.8549 -10.573 1.0226 0.0849 3.238 9.94644 -2.9825 8.804989776 12.2394267732 0.150375372
+C      1.07579928      1.60968233      1.38787927
+O      2.47822400      1.79104348      1.27808463
+C      2.97364563      1.33124524      0.02029418
+C      4.47832865      1.53670391     -0.04209109
+C      4.90307204      3.00518456     -0.02524307
+N      6.36381449      3.11397841     -0.19052458
+H      0.77495937      1.98215769      2.37534829
+H      0.79626343      0.54140091      1.30437705
+H      0.52896486      2.17362183      0.60747016
+H      2.47212673      1.88296553     -0.80340471
+H      2.72819351      0.25723943     -0.10774113
+H      4.86147941      1.06690849     -0.96205742
+H      4.94188974      1.00369176      0.80613789
+H      4.51374183      3.48332214      0.89306975
+H      4.43286914      3.52148425     -0.87964651
+H      6.82918395      2.71862018      0.63194563
+H      6.63437394      4.10013987     -0.21338834 
+
+15
+-1443.803057486662 10.2392 10.82072 -8.6286 -6.5204 -9.067 0.9771 -0.0059 1.255 8.62456 -0.70891 6.110278052 6.110278052 0.315243675
+C      3.48009089     -1.19958259     -0.22212195
+O      2.54198603     -0.12847585     -0.09535154
+C      3.07360694      1.12155356      0.03559310
+C      4.36814364      1.48346103      0.05563737
+C      4.78883502      2.91643091      0.20195650
+N      5.65051160      3.08408343      1.38862835
+H      2.88513341     -2.11492340     -0.31495685
+H      4.12823506     -1.26441633      0.66722232
+H      4.10788659     -1.06928776     -1.11909131
+H      2.26920909      1.85786777      0.11968375
+H      5.17114416      0.74685596     -0.01124335
+H      3.88607077      3.56170490      0.19606822
+H      5.39234979      3.21551988     -0.67315501
+H      5.10212379      2.89875078      2.23271645
+H      5.97088323      4.05363773      1.45327393 
+
+11
+-1182.6891259509882 9.643935 9.90909 -9.3036 -7.2299 -9.573 0.4924 -1.214 -0.253 9.13559 0.71121 4.946731435 5.1046400046 0.281451122
+C      1.14462682     -0.04658351     -0.57832115
+O      2.54976530     -0.06954470     -0.26341162
+C      3.14948469      1.13591548     -0.22628759
+C      4.46721754      1.25767187      0.05511250
+C      5.09656120      2.52359978      0.09612660
+N      5.64404129      3.55906241      0.13868378
+H      0.81478468     -1.09036394     -0.56573332
+H      0.97748695      0.38134475     -1.57795341
+H      0.58635901      0.52599516      0.17729254
+H      2.52354549      2.01032626     -0.43335769
+H      5.07348702      0.37337646      0.25840936 
+
+15
+-1445.2352471869544 10.039379 10.64738 -8.7659 -6.6473 -9.219 0.991 -0.0332 1.298 8.65 -0.74113 6.2715094464 6.2715094464 0.348420004
+C      1.39634004     -0.05474309     -0.23312425
+O      2.77711920      0.20298564      0.02281118
+C      3.17289501      1.51789988      0.00790375
+C      2.36800388      2.57798804     -0.18021615
+C      4.65534204      1.60474164      0.25695653
+N      5.41068214      0.90618611     -0.79941357
+H      1.27959812     -1.14387352     -0.20416648
+H      1.10213631      0.32695314     -1.22449606
+H      0.75866327      0.40724919      0.53868118
+H      1.29415086      2.49559271     -0.33287287
+H      2.80157603      3.57541090     -0.18749735
+H      4.84586667      1.21195020      1.27801799
+H      4.94271401      2.66509688      0.25283920
+H      5.13709731     -0.07992619     -0.80106074
+H      6.40681510      0.92646846     -0.56965236 
+
+11
+-1178.1143807875776 9.037593 9.46595 -9.698 -7.6084 -9.875 0.4589 -1.3458 -0.284 9.40665 0.68402 5.1355249172 5.3816619244 0.231733704
+C      1.06088614     -0.12572227     -0.21496904
+O      2.49191016     -0.05893794     -0.20121552
+C      3.02467241      1.18070420      0.00143608
+C      2.37119986      2.34517590      0.19101067
+C      4.46300355      1.13663216     -0.00491093
+N      5.63052023      1.12062584     -0.00692676
+H      0.81689849     -1.17865484     -0.38768811
+H      0.64795805      0.49292750     -1.02738994
+H      0.64417483      0.20213402      0.75048445
+H      1.28650979      2.41155689      0.20133091
+H      2.94634648      3.25496855      0.33968820 
+
+17
+-1584.8654624001183 10.09872 11.05185 -9.1887 -6.8623 -10.52 0.9981 0.0793 3.115 9.87093 -2.82599 8.6545699608 11.7894195862 0.097026966
+C      1.89106491     -0.40936883      1.03906951
+O      3.12551710      0.27942796      1.18056372
+C      3.16279796      1.54954152      0.49857431
+C      2.41903660      2.63420682      1.27605001
+C      4.63953160      1.88299417      0.31170920
+N      5.28021170      0.88848094     -0.55677964
+H      2.01623116     -1.38828526      1.51977344
+H      1.63479654     -0.56116290     -0.02610890
+H      1.05337092      0.11709091      1.53135804
+H      2.71066814      1.41914135     -0.50538489
+H      2.88249684      2.78775339      2.26149213
+H      1.36450555      2.36860923      1.42973842
+H      2.44193933      3.58586102      0.72559230
+H      5.09421333      1.97395176      1.32032771
+H      4.71170769      2.87066504     -0.17080409
+H      5.20476410     -0.02615671     -0.10283103
+H      6.27836653      1.09059959     -0.64152023 
+
+13
+-1315.9444622545075 8.92516 9.90902 -10.4648 -8.2525 -11.663 0.777 -0.318 1.412 11.30639 -1.02441 5.406719495 13.6400594194 0.211024639
+C      1.11814633     -0.24665190     -0.20370103
+O      2.43935717     -0.00178195      0.27489768
+C      2.89124151      1.32655069      0.00160214
+C      2.34167720      2.37068990      0.98274054
+C      4.36346718      1.30026009      0.04503609
+N      5.52815172      1.32621541      0.07741206
+H      0.91744503     -1.30806288     -0.01588394
+H      1.04226658     -0.05137865     -1.28922680
+H      0.35968386      0.35657708      0.32494298
+H      2.61021562      1.60759563     -1.03442250
+H      2.62544360      2.10624849      2.00901938
+H      1.24767577      2.41798036      0.91119763
+H      2.74443843      3.36447773      0.74671579 
+
+17
+-1584.2870596073321 10.170007 11.07334 -9.1318 -6.8902 -10.447 0.9643 -0.01 3.196 9.76811 -2.92414 8.4913175946 10.8688359348 0.131696134
+C      2.17666470      2.47158373     -2.23109734
+O      3.43772800      2.19698127     -1.64208196
+C      3.30758519      1.46368012     -0.42313209
+C      4.69198651      1.26631420      0.19045656
+C      5.60670432      0.43000119     -0.71809839
+N      5.22769884      2.58673404      0.56345329
+H      2.36371574      3.03978345     -3.15137552
+H      1.53637985      3.07289858     -1.55791397
+H      1.63702496      1.53927392     -2.48657432
+H      2.83362556      0.48098433     -0.62136046
+H      2.66950971      2.02505972      0.28660170
+H      4.52519514      0.70826628      1.12979827
+H      5.75980326      0.93550709     -1.68208278
+H      5.17688908     -0.56449131     -0.91787462
+H      6.58795006      0.28160130     -0.24384596
+H      5.30066882      3.15636826     -0.28512695
+H      6.17983026      2.48161384      0.92210453 
+
+13
+-1319.913548877443 9.022649 10.16716 -10.4121 -8.1051 -11.871 0.8472 -0.1895 1.393 11.46097 -1.04648 5.3865965672 11.9450468134 0.521987079
+C      1.01227896     -0.04567287      0.00584891
+O      2.43373821      0.03413040     -0.00094495
+C      2.88588288      1.37771184      0.00315228
+C      4.41862339      1.33234514     -0.00531734
+C      5.00260695      2.66764678     -0.00206465
+N      5.44713929      3.74587996      0.00067031
+H      0.75267965     -1.11101278      0.00224628
+H      0.57691570      0.43714065     -0.88812197
+H      0.58596218      0.42884174      0.90858205
+H      2.52633033      1.91471438      0.90210667
+H      2.51673258      1.92339211     -0.88663887
+H      4.76558255      0.78726320     -0.89621713
+H      4.77513734      0.77876944      0.87652841 
+
+15
+-1429.8799137743526 10.205582 10.7674 -8.8566 -6.828 -10.086 0.9305 0.0389 0.741 9.50282 -0.0613 5.5046932322 11.9450096176 0.320844783
+C      1.62139571     -0.28225417     -0.73404765
+O      3.03373575     -0.18856930     -0.52878421
+N      3.34895172      1.16988893     -0.26382182
+C      4.61451272      1.32338801     -0.05988210
+C      5.61532651      0.20308768     -0.09844376
+C      5.07286826      2.72196232      0.22992324
+H      1.42549791     -1.34075661     -0.94673877
+H      1.30413880      0.33628897     -1.58784158
+H      1.06899925      0.02695753      0.16693806
+H      5.35322135     -0.57155084      0.63770022
+H      6.62901311      0.56711381      0.10737738
+H      5.60182269     -0.29101143     -1.08144918
+H      4.22442498      3.41633484      0.22320956
+H      5.81138460      3.05001225     -0.51909709
+H      5.56962666      2.77077802      1.21213769 
+
+13
+-1283.6651180194342 11.286015 10.69549 -8.6941 -6.7445 -9.445 0.3397 -1.3254 -0.479 8.93147 0.97157 5.1338387076 5.2399707236 0.708250983
+C      5.95957906     -0.83509180     -0.06039819
+O      5.76432901      0.33954714      0.73937895
+N      5.20475548      1.34276825     -0.06071872
+C      5.01447181      2.42544170      0.62317144
+C      4.44095090      3.58298665     -0.02524087
+C      4.20991237      4.74807055      0.60984830
+H      6.39007787     -1.57924694      0.62033714
+H      6.65576113     -0.63327751     -0.88791220
+H      5.00171468     -1.19896581     -0.46052762
+H      5.28312427      2.47279722      1.68802839
+H      4.19698251      3.46627907     -1.08463291
+H      4.44890303      4.87766412      1.66760700
+H      3.77578789      5.60080736      0.08893928 
+
+11
+-1121.7131182752576 10.508321 10.29272 -9.0876 -7.0712 -9.717 0.2135 -1.5144 -0.358 9.27386 0.8636 3.9111259714 11.4910596758 0.368983396
+C      1.37665157     -0.30156610     -0.59785160
+O      2.77210077     -0.18974909     -0.27306302
+N      3.13460379      1.15566239     -0.30225048
+C      4.39225343      1.28877419     -0.01261260
+C      4.98429392      2.57181447      0.01882639
+C      5.57108044      3.63669920      0.06764844
+H      1.15793814     -1.37494489     -0.55698988
+H      1.18131790      0.08723473     -1.60739910
+H      0.76312411      0.23891852      0.13695309
+H      5.01530199      0.41248970      0.21215186
+H      6.07139395      4.58252688      0.10601691 
+
+15
+-1447.6913762882336 9.488183 10.49977 -9.4219 -7.1396 -10.51 0.8861 -0.0664 3.031 9.95552 -2.71391 8.4800348686 13.808878757 0.189135679
+N      1.05848173     -0.09400270     -0.06592267
+C      2.50468853     -0.06137141     -0.02561277
+C      3.24015254     -0.64795033     -1.20623707
+C      3.20108919      0.85651580     -1.00208971
+C      4.45518512      1.59042115     -0.60131111
+O      5.31169260      1.88421779     -1.71374171
+H      0.66892614      0.64307091      0.52708732
+H      0.71402033     -0.98457990      0.30152485
+H      3.00766615     -0.18114977      0.94450827
+H      2.62723801     -1.06043153     -2.00774337
+H      4.17577245     -1.17553039     -1.00832484
+H      2.53287864      1.39969231     -1.67463994
+H      4.99820740      1.00698705      0.16876321
+H      4.20968318      2.56930771     -0.16043800
+H      5.40973799      1.05737332     -2.21983246 
+
+15
+-1452.387708685432 9.405352 10.2543 -9.2759 -6.997 -10.58 0.8953 -0.0859 2.876 9.97408 -2.66145 8.4082841704 13.8525590248 0.111319889
+N      0.95541528      0.00897119      0.04347806
+C      2.41277338      0.05215103      0.02889425
+C      3.12151518      1.08285919      0.94701266
+C      4.19658717      0.00468568      1.25771189
+C      3.15498522     -1.05440419      0.81729117
+O      3.55192896     -2.25609096      0.17523528
+H      0.63442053     -0.82863356     -0.45103066
+H      0.57071522      0.80667208     -0.47035398
+H      2.86390744      0.11026094     -0.98673004
+H      2.49547326      1.29657954      1.82464032
+H      3.45491873      2.02579289      0.49557219
+H      5.03452974      0.05605062      0.54440442
+H      4.60039840     -0.06163697      2.27585011
+H      2.53081899     -1.36234333      1.67041745
+H      4.15203251     -2.01400416     -0.55325314 
+
+11
+-1204.7427411589506 8.996529 9.00621 -7.6908 -5.6261 -7.83 0.8467 -0.1257 0.653 7.40201 -0.11207 4.2609524704 6.8161551472 0.397091869
+N      0.98508030     -0.06781836     -0.23406102
+C      2.35892711      0.09558713     -0.07674206
+C      3.18658129      1.18882053     -0.01136958
+C      4.52383339      0.66384831      0.03703839
+C      4.42140180     -0.69327010      0.00270293
+O      3.08447041     -1.06224074     -0.07205299
+H      0.46201346      0.75359465      0.06141704
+H      0.63327236     -0.90320926      0.23368342
+H      2.88389478      2.23069752      0.00177814
+H      5.44618575      1.23385380      0.09532057
+H      5.12843936     -1.51320347      0.02473516 
+
+11
+-1200.4184237663674 8.820316 8.91054 -7.9471 -5.9009 -8.124 0.8745 -0.0923 0.532 7.60741 -0.04974 4.4417116598 12.0602670032 0.404605479
+N      0.91236694     -0.00125804     -0.23435798
+C      2.30912661      0.00274358     -0.07021790
+C      3.15905339      1.07921416      0.00114507
+O      4.47134485      0.65012509      0.05894279
+C      4.43556476     -0.71295414      0.03324261
+C      3.14898986     -1.16499032     -0.04932801
+H      0.47875050      0.88160835      0.03038755
+H      0.46172499     -0.76204548      0.27176288
+H      3.00956409      2.15250057      0.00583406
+H      5.39677469     -1.21296018      0.07835152
+H      2.82962934     -2.20182360     -0.10083258 
+
+15
+-1459.4524105790756 9.216205 9.97087 -9.46 -7.1833 -10.774 0.862 -0.1335 3.086 10.13162 -2.8439 8.6465728638 11.5896285458 0.136426925
+N      0.96654092     -0.02975359      0.04887727
+C      2.43162261      0.00213763     -0.03067012
+C      3.03419671      1.14734891      0.79983604
+C      4.42101502      0.61209993      1.20447636
+O      4.42943249     -0.80601446      0.91693005
+C      3.08329818     -1.20670935      0.65082429
+H      0.60035920     -0.76136657     -0.56631129
+H      0.58327241      0.84844382     -0.31005670
+H      2.82005499      0.06386426     -1.06741215
+H      2.39367147      1.30372126      1.68149804
+H      3.09473483      2.09301359      0.24343486
+H      5.23957566      1.06794862      0.62499335
+H      4.62442444      0.77619787      2.27713640
+H      3.12663060     -2.10900384      0.02299208
+H      2.52818048     -1.43971808      1.58155153 
+
+15
+-1449.0097521542948 9.386719 10.16352 -9.3469 -7.0625 -10.606 0.8142 -0.1856 2.933 10.02897 -2.7229 8.5074109774 13.5372502282 0.132116635
+N      0.92053614      0.00810133      0.16317592
+C      2.37337025      0.02223367     -0.00670130
+C      3.13819339      1.07951127      0.83505240
+C      4.16154706     -0.01666600      1.25015242
+O      5.41730454      0.01639473      0.56939907
+C      3.15001290     -1.08853230      0.75142810
+H      0.51962625     -0.79052705     -0.33757071
+H      0.51220303      0.84303613     -0.26752203
+H      2.69471475      0.06487886     -1.06771390
+H      2.52469138      1.40631914      1.68768833
+H      3.54962894      1.95934395      0.32028169
+H      4.42437813     -0.05621406      2.31530435
+H      5.24343080      0.05067237     -0.38822414
+H      3.57093569     -1.92151151      0.17057604
+H      2.54034675     -1.48686053      1.57591377 
+
+15
+-1449.064456488555 9.399295 10.20915 -9.3396 -7.1582 -10.322 0.8108 -0.1769 2.943 9.78409 -2.61712 8.0398473728 11.1300124438 0.168523561
+N      0.84973429      0.25729469     -0.16277535
+C      2.28264523      0.12487740      0.06448064
+C      2.57517025      0.07929286      1.55415165
+O      1.80847570     -0.93105470      2.20132270
+C      3.06899180     -0.76463442     -0.85581887
+C      3.31748409      0.73417662     -0.85889127
+H      0.58022064     -0.10704245     -1.07709791
+H      0.56328388      1.23935442     -0.12458622
+H      2.36317064      1.07669196      1.99463294
+H      3.63865444     -0.14224936      1.73181768
+H      0.93839333     -0.89048626      1.74998697
+H      2.55431341     -1.19285500     -1.71853661
+H      3.82077306     -1.41867977     -0.41262193
+H      4.24918906      1.10447770     -0.42589441
+H      2.95591019      1.30402632     -1.71642003 
+
+13
+-1322.1119434217976 9.127518 9.33389 -8.5101 -6.3818 -9.043 0.944 -0.0894 1.153 8.64885 -0.62045 5.8798872668 5.8798872668 0.244500513
+N      1.03027473     -0.19604768     -0.30932105
+C      2.49712046     -0.10939759     -0.13486750
+C      3.03968234     -1.27552482      0.72469342
+O      3.39077643     -0.72608868      2.03406038
+C      3.40269025      0.63462973      1.87163608
+C      2.98899210      1.07627297      0.67301165
+H      0.72673030      0.49835163     -0.99743845
+H      0.57761669      0.06901488      0.57209205
+H      2.93511705     -0.15153277     -1.14404846
+H      3.95943890     -1.70308958      0.29834417
+H      2.29198030     -2.06538038      0.87205373
+H      3.73103798      1.18701967      2.75127379
+H      2.91296246      2.11675263      0.36863019 
+
+15
+-1445.1220078882272 9.510094 10.57761 -9.3209 -6.9765 -10.669 0.9834 0.0071 3.189 10.06699 -2.89181 8.6793051678 11.068912143 0.212912187
+N      2.85055181     -1.08635297     -0.60645367
+C      2.35630354      0.05765768      0.18088931
+C      3.36828626      1.17995554      0.20904273
+C      3.56735830      2.07581943     -1.00049656
+C      2.92157311      2.60977314      0.25564197
+O      3.64834900      3.46678617      1.11305875
+H      2.16240589     -1.84278187     -0.58109686
+H      3.69741633     -1.46180294     -0.17027193
+H      2.08558642     -0.19753099      1.22627788
+H      1.43374065      0.41696925     -0.30519012
+H      4.27426317      0.98450589      0.79090421
+H      2.94073081      1.89585255     -1.87552260
+H      4.58471245      2.40580604     -1.21316830
+H      1.84075271      2.79646345      0.23167319
+H      3.68073955      4.34356964      0.69115200 
+
+15
+-1442.933244669287 9.310844 10.2596 -9.2994 -7.0248 -10.713 0.9469 -0.0656 3.05 10.10795 -2.78546 8.6890380688 10.9005639522 0.071960741
+N      2.09020748     -0.43180227     -1.32521436
+C      2.43291870      0.11282545     -0.00311513
+C      3.25142496      1.38242198     -0.17179616
+C      2.53110232      2.66701174     -0.62703634
+C      3.08031584      3.27474881      0.67630344
+O      3.60225978      1.98339203      1.11436901
+H      1.41380038     -1.19075114     -1.22627176
+H      2.91963978     -0.84513809     -1.75919204
+H      2.99894143     -0.57634457      0.65556288
+H      1.49890945      0.36671039      0.52304871
+H      4.16718057      1.16281735     -0.75664901
+H      1.43938118      2.55981832     -0.66300757
+H      2.88262130      3.11810542     -1.56197869
+H      3.89363692      4.00794726      0.53859194
+H      2.34558991      3.67817733      1.39099507 
+
+11
+-1175.06904834184 8.123424 9.00948 -10.5105 -8.256 -11.79 1.3151 -0.5362 1.3 11.38615 -0.90594 5.3806948336 13.6066699896 0.189500764
+N      1.05170249     -0.30082165      0.47129041
+C      2.18130516     -0.13237400      0.23277493
+C      3.59484041      0.10904005     -0.06775007
+C      4.31223635      1.15984201      0.81948101
+C      5.19111324     -0.02094099      1.27146017
+O      4.46620932     -0.95414184      0.40537667
+H      3.69908421      0.26276598     -1.15565519
+H      3.68417496      1.60811097      1.59602984
+H      4.82353904      1.94527145      0.25280234
+H      6.25359366      0.03470929      0.99041263
+H      5.09990115     -0.30707126      2.33006726 
+
+15
+-1440.4466264596501 9.28618 10.14091 -9.4284 -7.1437 -10.768 0.8539 -0.1427 2.938 10.14104 -2.66697 8.6683696026 14.2832243958 0.124407267
+N      2.19619058     -0.42472386     -1.39531596
+C      2.39415724      0.03706145     -0.01452202
+C      3.20152457      1.32768291      0.00337243
+C      2.46493084      2.57966896     -0.51370265
+O      2.41342986      3.15845341      0.82722215
+C      3.22775050      2.07286166      1.35383958
+H      1.57158859     -1.23357859     -1.41221111
+H      3.08677977     -0.74108727     -1.78867280
+H      2.88864276     -0.70223247      0.65016524
+H      1.40015843      0.23789879      0.41936867
+H      4.19358972      1.16465670     -0.44607651
+H      1.46115074      2.39962862     -0.92997423
+H      3.04019611      3.21837663     -1.20468069
+H      4.22010869      2.42985726      1.67929747
+H      2.73279162      1.55936579      2.19648043 
+
+11
+-1176.2528805129227 8.129255 8.99924 -10.3829 -8.0718 -11.787 0.8656 -0.3174 1.214 11.5014 -0.86771 5.35309555 11.289049286 0.39952651
+N      0.87582074     -0.04214395      0.08176491
+C      2.04214051     -0.01984251      0.04285407
+C      3.49159543      0.00701150      0.01534123
+C      4.22847782      1.02797314      0.92516984
+O      5.10446043     -0.01248677      1.43470691
+C      4.26526961     -1.04644843      0.85481952
+H      3.84162834      0.04847103     -1.02506385
+H      3.58762308      1.45267317      1.71517844
+H      4.78416000      1.82588267      0.41292456
+H      4.84831733     -1.78764353      0.29043898
+H      3.64084669     -1.54611630      1.61350539 
+
+15
+-1447.5353109985208 9.445762 10.35155 -9.2747 -6.9413 -10.625 0.8586 -0.1534 2.948 10.00262 -2.60392 8.4324986362 11.7789551678 0.122836738
+N      2.78116172     -1.11055604     -0.47500306
+C      2.16258725      0.04193270      0.19334529
+C      3.13831406      1.19645144      0.26762479
+O      4.29532619      0.91739402      1.04988183
+C      3.40177910      2.03985184     -0.94040535
+C      2.63393036      2.61899678      0.23866304
+H      2.19448619     -1.93951426     -0.36016213
+H      3.67121817     -1.31401009     -0.01107084
+H      1.80582973     -0.16800294      1.22668210
+H      1.27972347      0.35771527     -0.38613328
+H      4.01780097      0.91588292      1.98463482
+H      2.86141062      1.79643413     -1.85508965
+H      4.42686796      2.38201230     -1.07975603
+H      3.16275477      3.33941786      0.86366302
+H      1.56141944      2.79218409      0.13428546 
+
+15
+-1441.1246823653826 9.446453 10.59212 -9.4215 -7.063 -10.69 0.9419 -0.0395 2.833 10.04665 -2.56024 8.7161910028 11.3651394942 0.329630622
+N      0.86469174      0.23601887     -0.41661481
+C      2.31040163     -0.02984951     -0.41154697
+C      2.99944734      0.78402911      0.68732920
+C      4.48309846      0.52705976      0.75239540
+C      5.22566512      0.50999711      2.02360374
+O      4.90202612     -0.72320575      1.35102969
+H      0.39943199     -0.38055545     -1.08622021
+H      0.68675430      1.19117883     -0.73940070
+H      2.81217366      0.17415816     -1.38075324
+H      2.45700394     -1.09995746     -0.19748592
+H      2.53453454      0.54713580      1.65651079
+H      2.84061155      1.86251038      0.50385453
+H      5.05125778      0.78016431     -0.15367019
+H      4.68202699      0.68532102      2.95860154
+H      6.28998483      0.76877480      2.03700714 
+
+11
+-1177.4720441901861 8.151685 9.1929 -10.7967 -8.5753 -12.038 0.9728 -0.1654 1.156 11.66648 -0.79825 5.3828273928 13.0998152216 0.366876021
+N      5.28380211     -2.06887422      0.12185237
+C      4.54962765     -1.16498243      0.05875460
+C      3.65583075     -0.01280378     -0.01788813
+C      4.41975075      1.30402379      0.02238966
+C      4.82138460      1.99144950     -1.21289795
+O      3.68828039      2.44696995     -0.43734978
+H      2.94701436     -0.05750806      0.82414896
+H      3.06582228     -0.06886274     -0.94509123
+H      5.01208208      1.46916007      0.92983554
+H      4.57232835      1.54290140     -2.18023039
+H      5.69001668      2.65616654     -1.20131365 
+
+17
+-1594.9434030661837 9.998938 10.71845 -9.2367 -6.9919 -10.633 0.7454 -0.2535 2.991 10.036 -2.73934 8.7016846408 11.1172294872 0.103712847
+N      2.19356631     -0.95657973      1.02444025
+C      2.16699957     -0.09984458     -0.18102838
+C      3.08651836      1.11984728     -0.04756929
+C      4.60353041      0.86605392     -0.10907642
+C      5.24444270      0.17981901      1.10444661
+O      4.95594729     -1.20510413      1.22711376
+H      1.63479615     -1.79971019      0.87346933
+H      1.76473100     -0.46236810      1.81214178
+H      1.14531171      0.25031945     -0.41973587
+H      2.50266180     -0.71769380     -1.02938130
+H      2.83885600      1.65661673      0.88771944
+H      2.81842269      1.81087705     -0.86387160
+H      5.09988131      1.84454745     -0.23252948
+H      4.84456321      0.27682264     -1.01107585
+H      4.95835681      0.73641489      2.02420709
+H      6.33989492      0.25937943      1.01568731
+H      3.96290975     -1.27400731      1.27030262 
+
+15
+-1448.8912091573718 10.354505 11.05891 -9.459 -7.1714 -9.416 1.0374 -0.3568 1.182 8.90454 -0.58071 6.4059350676 6.4059350676 0.405335047
+N      1.90288992     -0.56997410     -1.18403723
+C      2.75836058     -0.21723473     -0.03780441
+C      3.06773203      1.25134758     -0.05209214
+C      4.30090797      1.77689840     -0.00977043
+C      4.59066560      3.24697222      0.00072110
+O      5.30146125      3.65545397      1.18513527
+H      1.62294524     -1.55128338     -1.12161305
+H      2.43610880     -0.47236521     -2.05189854
+H      3.70517862     -0.78976863      0.02888166
+H      2.18150239     -0.44718827      0.87558895
+H      2.19692394      1.91456371     -0.12480966
+H      5.17353602      1.11538172      0.05235547
+H      3.65347043      3.82114367     -0.12048617
+H      5.25938805      3.51784187     -0.83141721
+H      4.77175915      3.36006115      1.94747640 
+
+15
+-1448.580333144405 9.95957 10.53403 -9.5032 -7.2045 -9.384 0.9263 -0.2682 1.293 8.78925 -0.6832 6.4694530954 6.4694530954 0.414613647
+N      2.85095824     -0.72068268      0.99523700
+C      2.27196878      0.20301757      0.00069891
+C      2.80611307      1.60329050      0.20038404
+C      1.99556847      2.64131684      0.44992998
+C      4.30801879      1.74648333      0.09102888
+O      4.79713110      3.08479130      0.13403873
+H      2.57103702     -1.68046500      0.78392477
+H      2.47153436     -0.50339584      1.92059073
+H      1.16523162      0.24108231     -0.00288116
+H      2.58406044     -0.16008321     -0.99484991
+H      0.91396729      2.50774222      0.51386383
+H      2.39089614      3.64552523      0.61048452
+H      4.64455413      1.22646006     -0.82941689
+H      4.78730127      1.21655957      0.92764788
+H      4.40260929      3.56196781     -0.61821130 
+
+13
+-1290.389570175428 10.016351 11.28426 -9.4349 -7.1244 -9.398 0.8776 -0.2825 2.389 8.98182 -1.93414 4.2085931826 10.2268736226 0.765403282
+N      1.14018029     -0.20768594      0.40951031
+C      2.43645094      0.01535660     -0.26204046
+C      2.89355988      1.39225146     -0.11309249
+C      3.25611870      2.54930865     -0.02920303
+C      3.70752777      3.92231818      0.13232767
+O      3.41186146      4.68264746     -1.05421560
+H      0.82102228     -1.15840539      0.20702870
+H      0.44301076      0.42543786      0.00933815
+H      2.43689820     -0.22170825     -1.34599196
+H      3.17695746     -0.65871652      0.20163693
+H      4.79531071      3.92079302      0.33714255
+H      3.20549485      4.36059314      1.01572332
+H      3.72638669      5.58982971     -0.89517408 
+
+15
+-1449.6809719093965 9.985546 10.50705 -9.6852 -7.4071 -9.7 1.0017 -0.2397 1.231 9.16297 -0.67994 6.7252362134 6.7252362134 0.446331275
+N      1.00542540     -0.14411409     -0.59880238
+C      2.43384028      0.03245505     -0.23557816
+C      3.23878419     -0.84608932     -1.21884682
+O      2.87128223     -0.58228187     -2.56517566
+C      2.80225913      1.48532441     -0.36317910
+C      3.23464729      2.24162227      0.65136037
+H      0.43519144      0.56586083     -0.13472044
+H      0.67225902     -1.05514061     -0.27108021
+H      2.66513734     -0.30115758      0.79545996
+H      3.06545147     -1.91198321     -0.95927724
+H      4.31536713     -0.64537444     -1.11467732
+H      1.90030368     -0.43533155     -2.51720732
+H      2.70737638      1.91004125     -1.36787156
+H      3.33950635      1.83744673      1.66214750
+H      3.50804868      3.28790213      0.50624837 
+
+13
+-1290.4978026686551 9.470874 10.16297 -9.6428 -7.3571 -9.882 0.9082 -0.2482 2.187 9.53316 -1.76964 4.36864671 11.0321378954 0.319386256
+N      0.97259573     -0.04353186     -0.03409673
+C      2.44810657     -0.03914844      0.02763283
+C      2.99712557     -0.78363786     -1.21511497
+O      4.41435020     -0.88661658     -1.21533227
+C      2.96445898      1.32930716      0.04337703
+C      3.44298997      2.44540876      0.02642980
+H      0.59724832      0.61529619      0.65124491
+H      0.63131272     -0.97026394      0.23351631
+H      2.85993846     -0.55079309      0.92206839
+H      2.60718776     -0.27957066     -2.11658660
+H      2.61454478     -1.81555349     -1.20394179
+H      4.76637138      0.02341739     -1.23023606
+H      3.84820956      3.43698641      0.02159915 
+
+15
+-1451.0912596904564 10.09618 10.69062 -9.4713 -7.2299 -9.623 0.8669 -0.2799 1.281 9.1099 -0.72641 6.6974013564 6.6974013564 0.425697516
+N      1.43431122     -0.35998451     -0.78420649
+C      2.88862933     -0.23077872     -0.59292297
+C      3.19967486      1.22762607     -0.18973819
+O      2.30691170      1.61850588      0.85301060
+C      4.61523251      1.36956409      0.28412246
+C      5.58254101      1.99657892     -0.39274215
+H      1.13467527     -1.33117554     -0.69579483
+H      1.15958316     -0.04435827     -1.71718681
+H      3.49522279     -0.50783030     -1.47349950
+H      3.17817211     -0.89033375      0.24005711
+H      3.05308724      1.87311042     -1.08334630
+H      1.48337651      1.11915990      0.64177120
+H      4.82747969      0.89834689      1.25034007
+H      5.38055377      2.49077204     -1.34670235
+H      6.60604883      2.04235689     -0.01832185 
+
+13
+-1292.1391718311568 9.55953 10.34729 -9.6791 -7.3902 -9.833 0.7324 -0.3484 2.279 9.46157 -1.8552 4.3933075254 11.0017861226 0.4642742
+N      0.95514923      0.05639037      0.09232425
+C      2.41233053      0.00029105     -0.09363233
+C      2.96243421      1.44173909      0.03718184
+O      2.44425952      2.04315381      1.22228153
+C      4.42288426      1.44710063      0.04919862
+C      5.63509020      1.41588179      0.01214436
+H      0.59082532     -0.83804489      0.41986886
+H      0.47868681      0.27341270     -0.78560562
+H      2.74067348     -0.43529206     -1.05322389
+H      2.84302882     -0.59894051      0.72098545
+H      2.63036090      2.01790273     -0.85500604
+H      1.53596964      1.66303238      1.27353612
+H      6.70580708      1.40211292     -0.00404316 
+
+15
+-1445.299633166551 10.082264 10.69076 -8.8992 -6.7308 -9.475 0.9676 0.0125 1.205 9.01535 -0.72885 6.4135974024 6.4135974024 0.358135973
+N      1.91031518     -0.89971428     -0.97353100
+C      2.06655505     -0.24156742      0.32873491
+C      2.84044788      1.05403344      0.18007415
+O      4.18811946      0.71830018     -0.20417024
+C      5.03851112      1.76357860     -0.40754166
+C      4.78766807      3.07675468     -0.28893502
+H      1.38734469     -1.77082491     -0.86489352
+H      2.83451974     -1.15817778     -1.32915967
+H      2.56678487     -0.85884070      1.10238617
+H      1.06643072      0.01486778      0.71319391
+H      2.86195015      1.61082164      1.13328275
+H      2.38600583      1.68537608     -0.60295024
+H      6.02237076      1.38673683     -0.69653577
+H      3.81907213      3.48361322     -0.00574651
+H      5.59399435      3.77917264     -0.48911827 
+
+13
+-1340.263204350806 8.906953 9.639 -9.2991 -7.2972 -10.711 0.7611 -0.2645 0.451 9.60362 0.17424 4.2946766624 12.4422554706 0.369723867
+N      1.15434097      0.29923033     -0.61110471
+C      2.35081991      0.05379880      0.03392837
+O      2.58975462     -1.03592224      0.55254226
+C      3.37158897      1.15304262      0.02508713
+C      3.58301419      2.03751834     -1.19463639
+C      3.00286263      2.62760968      0.05563182
+H      0.84682392      1.24497638     -0.81113110
+H      0.43042327     -0.39946224     -0.47228991
+H      4.26222378      0.85870022      0.57955909
+H      2.92475189      1.87092365     -2.04764444
+H      4.61286963      2.28088132     -1.45553516
+H      3.63132866      3.27659180      0.66538998
+H      1.94556756      2.89620133      0.07231305 
+
+13
+-1341.9466560018293 9.551415 10.0273 -9.3885 -7.2841 -9.804 0.7232 -0.2809 0.353 9.63914 0.24391 4.322337939 6.839129753 0.267442576
+N      1.70343864     -0.81949719      0.98557393
+C      2.34528413     -0.20658436     -0.06112499
+O      2.23071097     -0.58723919     -1.22217836
+C      3.20712569      1.00515111      0.31817878
+C      4.66152883      0.72964818      0.05132605
+C      5.64133847      0.88500574      0.94787973
+H      1.93395593     -0.59997155      1.94763562
+H      1.21798737     -1.69077098      0.79191749
+H      3.05637036      1.31305867      1.36385915
+H      2.86193282      1.82709094     -0.33046571
+H      4.88957775      0.37404948     -0.95814965
+H      5.44119599      1.23888679      1.96275133
+H      6.68023305      0.67068236      0.69413664 
+
+11
+-1187.1163441342223 8.986125 9.50805 -9.5132 -7.4674 -10.2 0.7824 -0.1832 0.434 9.72576 0.23277 4.3140680728 10.7772226794 0.80240071
+N      2.65678008     -0.86490612      1.01047873
+C      2.13342317      0.08307494      0.18717150
+O      0.96229547      0.11459618     -0.17493926
+C      3.12556641      1.16958993     -0.29447697
+C      4.49758614      1.06109511      0.17190456
+C      5.63220930      0.93087830      0.58612506
+H      3.63767542     -0.83953897      1.27314544
+H      2.04947320     -1.60224943      1.35159561
+H      2.68990686      2.13497737      0.00679223
+H      3.08790553      1.14977025     -1.39474054
+H      6.63993843      0.83973244      0.93744364 
+
+11
+-1184.2072348115723 8.454083 9.3233 -10.263 -8.0257 -11.028 0.7601 -0.312 1.201 10.69596 -0.8429 5.26754521 10.5981249024 0.211690046
+O      1.04721502     -0.07138617     -0.08370552
+C      2.44158905     -0.03144538      0.02318498
+C      3.20469706     -0.74243250     -1.03495471
+C      3.23209803      0.78854623     -1.00965852
+C      4.41455034      1.48536144     -0.60206199
+N      5.37507655      2.04514788     -0.23992689
+H      0.68216340      0.68676340      0.40749512
+H      2.84978326     -0.04073926      1.03857105
+H      2.62549891     -1.18352433     -1.84555194
+H      4.11467480     -1.27004070     -0.75409644
+H      2.62865359      1.28766940     -1.76939514 
+
+13
+-1359.2983456337595 8.699727 9.27964 -9.1869 -7.1532 -10.54 0.7771 -0.1806 0.627 9.62181 0.03845 4.367220871 12.4948255346 0.166745049
+O      1.18850918     -0.15437117      0.56278800
+C      2.32854109     -0.04613722      0.12806185
+C      3.17098795      1.23051173      0.01935989
+C      4.37082429      0.83094048     -0.85094107
+C      4.49003472     -0.69568980     -0.64448387
+N      3.11391549     -1.07474604     -0.34670612
+H      3.47022675      1.51328246      1.04152523
+H      2.56798486      2.05255689     -0.38445144
+H      4.15179350      1.03810889     -1.90852938
+H      5.30026455      1.35275876     -0.59030068
+H      4.86271605     -1.21161256     -1.54113850
+H      5.16641436     -0.93733869      0.19593538
+H      2.81717721     -2.03673372     -0.20695928 
+
+9
+-1059.7406487496226 8.010616 7.98861 -10.0676 -7.9963 -10.4 -1.5017 -3.4251 -1.891 9.86271 2.13687 2.985644873 7.0518773304 0.449426755
+O      0.94094997     -0.09135623      0.00414768
+C      2.14986561     -0.03892786     -0.00014248
+C      3.01642075      1.20290932     -0.00098491
+C      4.28510834      0.76942720     -0.00648305
+C      4.21401986     -0.73196558     -0.00915282
+N      3.01925142     -1.22082605     -0.00580647
+H      2.61960918      2.21373676      0.00246473
+H      5.20524971      1.35090020     -0.00871608
+H      5.09524517     -1.38016775     -0.01369661 
+
+11
+-1218.2080727604236 8.553365 8.71493 -8.584 -6.497 -9.092 1.2697 -0.4554 0.343 8.66764 0.29101 4.3651007104 12.893366133 0.357742276
+O      1.17772440      0.12091125      0.50657467
+C      2.33956056      0.03535458      0.13774563
+C      3.19920021     -1.22187472     -0.08027660
+C      4.52921283     -0.68602555     -0.53168791
+C      4.45458986      0.65782565     -0.56959634
+N      3.17881445      1.10178245     -0.18058965
+H      2.70677566     -1.87228655     -0.82030786
+H      3.24550059     -1.79537702      0.85891439
+H      5.40189158     -1.28005573     -0.78454549
+H      5.21605443      1.38248708     -0.84730196
+H      2.87493544      2.06883855     -0.12753887 
+
+11
+-1211.3467020866838 8.856937 8.90816 -7.6442 -5.5989 -7.928 0.8792 -0.1353 0.98 7.50657 -0.41956 4.6839679052 6.327687503 0.417931114
+O      0.94992935     -0.11361079     -0.00621938
+C      2.30927187      0.05559013      0.00000671
+C      3.13452695      1.16501561      0.00381273
+C      4.47799201      0.66801116      0.00998989
+C      4.42623600     -0.70976392      0.00971456
+N      3.08455768     -1.07369815      0.00354356
+H      0.54143872      0.76871304     -0.00805235
+H      2.81661896      2.20330287      0.00236942
+H      5.38351567      1.26694267      0.01415520
+H      5.20749023     -1.46082009      0.01329707
+H      2.71479256     -2.01740254      0.00185260 
+
+15
+-1460.7077820566321 9.206949 9.94699 -8.5708 -6.3483 -10.026 0.853 -0.1456 3.049 9.31691 -2.76385 7.9512717744 13.5533932054 0.086017377
+O      0.97270779      0.02923472      0.05818354
+C      2.40328930     -0.00769901      0.01908874
+C      2.98001670      1.12969399      0.86424580
+C      4.39169117      0.63256964      1.16440244
+N      4.18512999     -0.80238434      1.44620777
+C      3.03193517     -1.27678909      0.64893356
+H      0.63624819     -0.63081975     -0.57154212
+H      2.75079352      0.10300474     -1.02582059
+H      2.39132303      1.20690294      1.79153207
+H      2.95611607      2.09847434      0.34912271
+H      5.05086588      0.82111490      0.29120038
+H      4.84095815      1.13610255      2.03415979
+H      5.02560141     -1.34864192      1.26399057
+H      3.32133523     -2.00718937     -0.12708628
+H      2.27980839     -1.75656434      1.29998159 
+
+13
+-1336.975426045676 8.719555 9.30364 -9.2343 -7.0171 -10.537 1.0779 -0.7599 0.318 9.65369 0.40637 3.751692374 13.5945317602 0.170222468
+O      1.17466419     -0.04693701      0.64788993
+C      2.30913830      0.00560431      0.21525217
+C      3.15581034      1.26108240      0.00208665
+C      4.30346642      0.76596608     -0.88072541
+N      4.49319749     -0.61986127     -0.40567106
+C      3.15188748     -1.18699408     -0.24765103
+H      3.52678628      1.57810380      0.99059733
+H      2.55485786      2.07765318     -0.41590835
+H      4.00139615      0.82576683     -1.94817899
+H      5.23123145      1.34103075     -0.75616610
+H      5.07209595     -1.16480799     -1.04521426
+H      2.68554580     -1.55612614     -1.18809849
+H      3.11729228     -2.00362086      0.48747761 
+
+9
+-1051.3932373926548 8.007309 7.99308 -9.8751 -7.7607 -9.916 -1.5908 -3.5544 -2.058 9.47914 2.34269 2.7246419444 6.9941370502 0.659451444
+O      0.86058015     -0.02789600      0.00514643
+C      2.07701539      0.03413641      0.00157888
+C      2.97988125      1.21922877     -0.00180314
+C      4.22790031      0.72106481     -0.00514163
+N      4.28515376     -0.74830830     -0.00436749
+C      3.06566156     -1.14820351     -0.00054283
+H      2.65483918      2.25448455     -0.00152000
+H      5.17667354      1.25458892     -0.00826815
+H      2.77315486     -2.20009565      0.00097793 
+
+11
+-1208.6894727117344 8.866557 8.88466 -7.8283 -5.808 -8.082 0.8236 -0.0661 0.866 7.59783 -0.35339 4.7565493096 6.1440146426 0.383997095
+O      0.90455071     -0.02565089     -0.00633901
+C      2.28035949      0.01661180     -0.00019271
+C      3.11585138      1.12441115      0.00425441
+N      4.41583475      0.64045775      0.00975386
+C      4.40715932     -0.73220456      0.00882252
+C      3.08719504     -1.15383756      0.00264379
+H      0.56726342      0.88640440     -0.00722416
+H      2.90158152      2.18758364      0.00400272
+H      5.24635897      1.21887549      0.01383421
+H      5.33025332     -1.30146881      0.01256998
+H      2.73280208     -2.17933242      0.00039439 
+
+11
+-1218.7171904484753 8.628034 8.72869 -9.3357 -7.3567 -10.182 0.6833 -1.0683 -0.331 9.72265 0.78979 4.184403514 5.7083278386 0.374217126
+O      1.10804030     -0.10125732     -0.46439947
+C      2.28500507     -0.02442043     -0.12621557
+N      3.13430745     -1.08659344      0.15345223
+C      4.46721920     -0.66640071      0.52606519
+C      4.36488975      0.83293007      0.44865195
+C      3.12663326      1.19428591      0.07858342
+H      2.82389028     -2.04999624      0.09441845
+H      5.23881013     -1.05289051     -0.16512074
+H      4.74392308     -0.99845892      1.54373196
+H      5.20748239      1.48558777      0.67193450
+H      2.73280907      2.19710382     -0.06732194 
+
+15
+-1443.0289811702423 9.376077 10.31323 -8.916 -6.7087 -10.286 1.0378 0.0082 3.127 9.59913 -2.84322 8.3947325006 13.7849742562 0.108549699
+O      2.24659003     -0.43212993     -1.35326864
+C      2.34062352      0.06340250     -0.01014285
+C      3.12861428      1.35998674     -0.04710366
+C      2.44056501      2.64916130     -0.56377966
+C      3.06898671      3.34980410      0.66358714
+N      3.27963545      2.01029036      1.28553186
+H      1.69503780     -1.23134097     -1.34005735
+H      2.86072415     -0.65870525      0.64912625
+H      1.34322839      0.26195919      0.42326886
+H      4.08652017      1.18317082     -0.57355345
+H      1.34595880      2.58147492     -0.49951783
+H      2.72823149      3.00884546     -1.55760603
+H      4.00433774      3.87664839      0.40185415
+H      2.43199966      4.02705471      1.25286401
+H      4.19359679      1.88002766      1.72509720 
+
+13
+-1311.3852514543246 8.910768 9.60863 -9.3359 -7.1023 -10.631 0.8441 -1.0941 0.004 9.99574 0.64011 3.6743003128 8.0637146778 0.139718895
+O      1.58986622     -0.53165827     -0.83299238
+C      2.03728515      0.12607118      0.08849886
+C      3.01825019      1.26452853     -0.07316642
+C      2.39182618      2.69461807      0.01016388
+C      3.59757670      3.04724646      0.91250436
+N      3.80978601      1.59138103      1.13799176
+H      1.71737845     -0.04273740      1.15090863
+H      3.59378934      1.12574737     -1.00631803
+H      1.44076212      2.69810278      0.55952828
+H      2.27512673      3.23013068     -0.93758432
+H      4.40532053      3.54056539      0.34265888
+H      3.39818486      3.62568658      1.82730341
+H      4.78193753      1.27632759      1.11935309 
+
+15
+-1441.182036379379 9.31441 10.15686 -8.8304 -6.5801 -10.271 0.9879 -0.0002 3.097 9.60101 -2.82577 8.391062515 13.9976846378 0.123255081
+O      2.07182062     -0.43228601     -1.29834944
+C      2.27879395      0.08051009      0.02738719
+C      3.24952095      1.24200698     -0.06428374
+C      2.63358977      2.54883621     -0.62897022
+N      2.40665209      3.01455623      0.76964279
+C      3.40048526      2.02378683      1.26745085
+H      1.39200620     -1.12489791     -1.24889036
+H      2.70306199     -0.70065123      0.68776826
+H      1.32867127      0.42974743      0.47218462
+H      4.18113712      0.90797311     -0.54079972
+H      1.71986036      2.44767720     -1.23495658
+H      3.37783560      3.14003038     -1.19263361
+H      2.64996981      3.99207863      0.94331525
+H      4.42468396      2.41948523      1.39593840
+H      3.10193104      1.50641683      2.19493631 
+
+13
+-1309.3988720745854 8.814707 9.41573 -9.1539 -6.9343 -10.575 1.0012 -0.9603 0.012 10.04442 0.62729 3.6950183734 12.95281742 0.111120718
+O      0.71519767      0.33983627     -0.16226647
+C      1.87382837      0.18346056      0.17284338
+C      2.99528503      1.15677893     -0.09439712
+C      2.57742621      2.63848963     -0.21879754
+N      2.99104136      2.83486007      1.20132036
+C      3.79057600      1.58094048      1.17286971
+H      2.19418980     -0.74871968      0.71140364
+H      3.60678518      0.73581888     -0.90862963
+H      1.51026618      2.81880234     -0.41336441
+H      3.19068540      3.18387948     -0.95723947
+H      3.53322706      3.68294157      1.37792517
+H      4.86598760      1.71550626      0.95815364
+H      3.68166415      0.94866521      2.06994872 
+
+15
+-1441.4049690961363 9.383947 10.43538 -9.4097 -7.1908 -10.978 0.9306 -0.0881 3.077 10.2952 -2.79792 8.9020212196 11.6380822746 0.198327494
+O      2.03861989     -1.29171655     -0.30330130
+C      2.06389419      0.13634822     -0.47045647
+C      2.90367358      0.73258956      0.65031054
+C      4.35605331      0.31503840      0.59445981
+C      5.35614113      1.07624316     -0.20399314
+N      5.31756545      1.21412887      1.27155046
+H      1.52405117     -1.67130143     -1.03449163
+H      1.04030142      0.55213717     -0.42707292
+H      2.50085541      0.40560583     -1.45120232
+H      2.46934761      0.43251623      1.61838260
+H      2.84741049      1.83130528      0.59923125
+H      4.52743073     -0.76221369      0.67906414
+H      5.04243366      1.97199068     -0.74755886
+H      6.17978483      0.52440424     -0.66393670
+H      6.07441712      0.65900402      1.68324455 
+
+13
+-1310.2705769469392 8.844361 9.71275 -9.6277 -7.4025 -11.034 1.2078 -0.873 -0.124 10.20149 0.74298 3.674883047 11.5893929724 0.152178662
+O      2.25497257      0.40162203      1.48291584
+C      2.03650467      0.86837846      0.37963960
+C      3.08904433      1.36206903     -0.58113049
+C      4.51347650      1.15755042     -0.13087369
+C      5.28323676     -0.05596165     -0.50994845
+N      5.53349296      1.23082336     -1.20030470
+H      0.98451648      0.97289558      0.00324767
+H      2.87992784      2.43461149     -0.75944842
+H      2.91745978      0.88304129     -1.56126586
+H      4.75676677      1.59521495      0.84144255
+H      4.81181871     -0.82021304     -1.13322602
+H      6.02299333     -0.43305016      0.19968888
+H      6.38932930      1.65664823     -0.83140691 
+
+7
+-884.534796630833 8.192581 8.50097 -11.2879 -9.2602 -11.378 -1.6964 -3.6431 -1.97 10.49504 2.456 3.2749414068 6.3441528438 0.25478252
+O      0.91839702      0.04961666      0.00000000
+C      2.13984725     -0.00345244      0.00000000
+C      2.90469841     -1.22234629      0.00000000
+C      3.55197714     -2.25053833      0.00000000
+C      2.95055247      1.22620670      0.00000000
+N      3.56584131      2.21884098      0.00000000
+H      4.11359641     -3.16389728      0.00000000 
+
+9
+-1054.706611366684 9.374406 9.15787 -10.3847 -8.3686 -10.758 -1.5518 -3.3801 -1.955 10.29152 2.27255 3.2437961236 4.9619321186 0.555688429
+O      0.98862956     -0.14275548     -0.08749285
+C      2.20197380     -0.03069568     -0.02065466
+C      2.90509012      1.26375543     -0.04515424
+C      4.25397808      1.30066834      0.03448794
+C      5.01391803      2.49871443      0.01871913
+N      5.66300768      3.47241437      0.00775966
+H      2.86894926     -0.92645069      0.06561840
+H      2.30027536      2.16866353     -0.12819687
+H      4.82393811      0.36905577      0.11686351 
+
+7
+-890.8125024045098 9.20999 9.25667 -10.9567 -8.9791 -10.922 -1.7011 -3.6349 -1.894 10.47618 2.3165 3.1896266402 10.5380412868 1.145403095
+O      0.94750525     -0.07173907      0.00000000
+C      2.16669942     -0.00914706      0.00000000
+C      2.88948887      1.24230780      0.00000000
+C      3.52918570      2.28473979      0.00000000
+C      4.23302511      3.45079072      0.00000000
+N      4.84359688      4.45392169      0.00000000
+H      2.81310878     -0.91591387      0.00000000 
+
+11
+-1198.213589377443 8.390511 9.30238 -10.4062 -8.167 -11.365 0.6546 -1.4625 -0.461 10.53807 1.09392 3.6669975374 12.6803085906 0.225367386
+O      2.01529133     -0.97755761     -0.80209437
+C      1.85300361      0.09198316     -0.24599560
+C      2.97013466      0.99955613      0.20855706
+C      4.36201154      0.43463063     -0.10368646
+C      5.42827706      1.32352791      0.34169546
+N      6.26570094      2.04918628      0.70576118
+H      0.82516535      0.47969763     -0.02936804
+H      2.84111065      1.17984266      1.28965640
+H      2.81916829      1.98500127     -0.26475586
+H      4.46632924      0.26125754     -1.18517225
+H      4.48839733     -0.54747561      0.37593248 
+
+11
+-1179.723149884491 8.681798 9.26565 -10.6647 -8.322 -10.235 0.7412 -0.9148 0.828 9.70877 -0.26722 5.3795789596 6.8018347642 0.398013345
+O      1.04134069     -0.16535130      0.27692412
+C      2.42564508      0.08406567     -0.00431947
+C      2.76831032     -0.62346965     -1.29252004
+C      3.34569004     -0.06128300     -2.35556666
+C      2.71464596      1.53129432     -0.04913691
+N      2.92898069      2.67759521     -0.04438401
+H      0.84110186      0.19780926      1.15879980
+H      3.05976242     -0.33911058      0.80145517
+H      2.50507921     -1.68418116     -1.28086265
+H      3.60617770      0.99893812     -2.37647191
+H      3.57808602     -0.65272689     -3.24109744 
+
+9
+-1016.6659061893462 8.316045 9.1516 -11.0993 -8.6484 -10.417 0.6558 -1.1151 0.858 10.03514 -0.5506 4.424626389 10.7861248742 0.274389488
+O      0.96814994     -0.01174193     -0.00009494
+C      2.39901266      0.01549086     -0.00800596
+C      2.88963917     -0.71155225     -1.17753607
+C      3.33216951     -1.32352286     -2.12327810
+C      2.91617195      1.40578460      0.00410877
+N      3.28919054      2.50765667      0.08222471
+H      0.66925679      0.47322370      0.79161463
+H      2.80732296     -0.47672144      0.89813007
+H      3.71158648     -1.86337734     -2.96732311 
+
+11
+-1185.1946061422902 9.405802 9.9108 -10.3092 -8.0653 -9.872 -0.0445 -1.7772 -0.231 9.41356 0.72403 5.0331248798 10.7838559304 0.31015756
+O      1.68136122     -0.31493977      1.46415817
+C      2.41137333     -0.08250769      0.25407363
+C      2.92930460      1.31815673      0.28170240
+C      4.19770730      1.64997435     -0.02194705
+C      4.66559175      2.99366808     -0.05326345
+N      5.08494242      4.08533435     -0.09112404
+H      1.16818934     -1.13327795      1.35398216
+H      1.74862014     -0.18668559     -0.62805620
+H      3.24441216     -0.79960616      0.13442278
+H      2.20703668      2.09416693      0.54884922
+H      4.93689106      0.88242671     -0.26869762 
+
+11
+-1184.8881691727279 8.972261 9.36307 -10.5885 -8.3759 -10.128 -0.079 -1.8427 -0.33 9.64576 0.78135 5.0371420262 6.5489157228 0.268237963
+O      2.30758184     -0.69090202      1.23903589
+C      2.14873111      0.00835757      0.00765224
+C      2.77246580      1.39518687      0.02711472
+C      2.07691210      2.53265051     -0.14708606
+C      4.18633896      1.41865946      0.25567130
+N      5.33708665      1.34561964      0.45404599
+H      3.25141853     -0.90947391      1.34868014
+H      1.06671138      0.11008197     -0.15214228
+H      2.56859135     -0.56519979     -0.83889542
+H      0.99905571      2.49890417     -0.30985740
+H      2.56060657      3.50879552     -0.13535912 
+
+9
+-1026.638652428286 9.416086 10.03744 -10.6226 -8.3164 -10.059 0.0395 -1.8072 0.068 9.86223 0.24623 3.6241479758 10.6750458168 1.372663437
+O      0.97802374      0.00002772     -0.11970854
+C      2.40319654      0.02483345     -0.00261359
+C      2.87050976      1.40072257     -0.00454916
+C      3.30427911      2.53998967     -0.00193931
+C      3.78744713      3.81562592      0.00106481
+N      4.20714347      4.91243623      0.00401034
+H      0.70457225     -0.93396668     -0.11394664
+H      2.89262585     -0.50633669     -0.84176203
+H      2.74558213     -0.45361220      0.93533413 
+
+13
+-1330.4105263188287 8.751232 9.719 -10.8095 -8.3457 -11.79 0.8172 -0.2685 1.482 11.36186 -1.10926 5.375846981 12.5378114808 0.306821972
+O      2.36247012     -0.45091490     -1.47495284
+C      2.26127242     -0.14531596     -0.07598031
+C      3.05561584      1.12632328      0.18040507
+C      4.55882543      0.97383063     -0.13176934
+C      5.22128243      0.01305365      0.74610375
+N      5.72618713     -0.75936653      1.46021584
+H      1.98036177     -1.33165938     -1.62204574
+H      2.66331864     -0.97091603      0.53904341
+H      1.20812534      0.01842708      0.21636098
+H      2.91893493      1.42987670      1.22883961
+H      2.65652949      1.93222233     -0.45395597
+H      5.07180259      1.94223702     -0.03290196
+H      4.68514388      0.63733210     -1.17190253 
+
+15
+-1434.5203745304277 9.4834 10.46415 -9.1206 -6.9775 -10.635 1.0198 -0.0079 3.39 9.93688 -3.28266 8.7330530988 12.28329302 0.174943537
+O      0.75966310      0.29274672     -0.35297781
+C      2.16249886      0.01196745     -0.44737240
+C      2.87197497      0.89589987      0.57114995
+N      4.31511127      0.66145830      0.52172289
+C      5.06309573      1.54103642     -0.38797638
+C      5.13942529      1.73191968      1.08992434
+H      0.29336939     -0.30528275     -0.95985321
+H      2.54630344      0.23271938     -1.46143749
+H      2.38139097     -1.04709860     -0.22321403
+H      2.51218403      0.64117231      1.58068768
+H      2.60447796      1.95679799      0.37906318
+H      4.49503763      2.28728891     -0.95439107
+H      5.88865511      1.07288559     -0.92822085
+H      6.02122587      1.40441822      1.64497281
+H      4.62544637      2.60633051      1.50313239 
+
+13
+-1302.5184739218641 8.945442 9.75601 -9.638 -7.4418 -10.873 1.025 -1.0362 0.038 10.05332 0.58087 3.6598683424 12.6036604454 0.23350778
+O      1.38804165      1.68944022     -0.00703679
+C      2.58530752      1.89960955     -0.02511566
+C      3.49318814      1.52593230     -1.18423413
+N      4.88279809      1.43652401     -0.75058398
+C      5.33568962      0.09241377     -0.36032698
+C      5.77708508      0.69959704     -1.64968795
+H      3.10855733      2.41314766      0.82199560
+H      3.41058032      2.34439021     -1.92335208
+H      3.09712280      0.60951110     -1.66788699
+H      4.61110419     -0.72649707     -0.41772375
+H      6.01608257      0.05604090      0.49253104
+H      6.78404761      1.11051403     -1.74779660
+H      5.35041508      0.28316628     -2.56798173 
+
+13
+-1327.9160663737648 9.052395 9.64154 -9.1061 -7.0957 -10.133 0.7863 -0.1702 0.504 9.73486 0.11773 4.3953904902 13.267493888 0.236320206
+O      1.38177289     -0.02289262      0.99816475
+C      2.38611018      0.07120954      0.29514245
+N      2.95292963      1.24167194     -0.08523951
+C      2.63582808      2.62398617      0.30221774
+C      3.92238460      3.07737997     -0.44789617
+C      4.20248985      1.58370164     -0.78915052
+H      2.93771815     -0.80932936     -0.11496676
+H      2.63454144      2.77656613      1.39186606
+H      1.68248939      2.98581562     -0.10999003
+H      3.73805492      3.71145380     -1.32219461
+H      4.68061397      3.54749647      0.18781182
+H      4.19280246      1.33448498     -1.86117917
+H      5.10557443      1.15876572     -0.32441606 
+
+13
+-1330.3840748235302 9.013968 9.8368 -9.4917 -7.3955 -10.568 1.0695 -0.1262 0.353 9.94806 0.21487 4.3198954148 12.6257175548 0.248224222
+O      1.16592975     -0.60337351     -0.75056009
+C      2.30829883     -0.37957483     -0.36968097
+N      3.09396442      0.64998642     -0.82008252
+C      4.36263893      1.00947246     -0.24706960
+C      5.49077967      0.00414727     -0.27940742
+C      5.53634342      1.21721244     -1.17411752
+H      2.83970149     -1.01158024      0.37891728
+H      2.63547609      1.30976276     -1.44912948
+H      4.31604017      1.66240403      0.63056207
+H      5.28722982     -0.95683660     -0.75092392
+H      6.15362122     -0.03611942      0.58443914
+H      6.23207794      2.02080750     -0.93473645
+H      5.35735825      1.05859173     -2.23773051 
+
+11
+-1174.3416632329413 9.173028 9.82718 -9.8095 -7.6826 -10.113 0.8191 -0.158 0.243 10.03684 0.33739 4.3275949454 11.0817074982 0.519689327
+O      2.74518680     -1.10614142      0.06765922
+C      2.21111093     -0.00425543     -0.00049478
+N      2.88924635      1.17734553     -0.04031199
+C      4.35460494      1.20873024     -0.00554660
+C      4.85283148      2.57564043     -0.00101723
+C      5.26260694      3.71704349      0.00181614
+H      1.10758342      0.14507209     -0.03599810
+H      2.38318078      2.05626868     -0.10109014
+H      4.75580928      0.65934866     -0.87414242
+H      4.70705458      0.66871095      0.88912224
+H      5.63580451      4.72104678      0.00597367 
+
+11
+-1172.704864786915 9.017484 8.86396 -8.3601 -6.3366 -8.248 0.8019 -0.33 0.847 7.78685 -0.30217 4.8667108706 6.2791965784 0.446351185
+O      0.94133929      0.19988148     -0.32210872
+N      2.31991567      0.11469517     -0.12716555
+C      3.16626483      1.19743047     -0.12652406
+C      4.44921607      0.68894194      0.00965146
+C      4.35156462     -0.72986207      0.07740230
+C      3.01021845     -1.06853403     -0.01814019
+H      0.56699702      0.26747263      0.58015465
+H      2.77901852      2.20431177     -0.23097245
+H      5.35789119      1.28176784      0.05017040
+H      5.17075553     -1.43490322      0.18013698
+H      2.48802880     -2.01821199     -0.02894482 
+
+13
+-1287.2195087312007 9.429636 9.94373 -9.2158 -7.0986 -10.303 1.4424 -0.2675 0.481 9.81531 0.1236 5.4514536438 6.36730103 0.229315926
+O      0.94210321      1.23084978     -0.96273617
+N      2.34607968      1.22811347     -1.17669842
+C      2.97497062      1.03047845     -0.07486232
+C      4.45155367      1.04692688     -0.02281340
+C      5.27848254      1.33644355     -1.25191453
+C      5.19630056      2.37471681     -0.16681167
+H      0.60423910      1.35709035     -1.86764174
+H      2.41985015      0.86821292      0.86056632
+H      4.87481669      0.35613759      0.70988488
+H      4.72768172      1.52141926     -2.17309624
+H      6.20998342      0.78231958     -1.36676754
+H      6.06338075      2.53643646      0.47453637
+H      4.58364789      3.25698491     -0.35482553 
+
+13
+-1288.5754478711767 10.189237 10.47144 -9.632 -7.4707 -9.834 1.1006 -0.6397 0.236 9.3046 0.31062 5.4880791082 6.138980811 0.437369666
+O      0.74560568      0.72231597     -0.98302722
+N      2.15862042      0.64763697     -1.08287605
+C      2.72210558      1.26420920     -0.11018978
+C      4.22097070      1.31424813     -0.03355074
+C      4.74294757      2.72637990     -0.12821816
+C      5.43629736      3.34911873      0.83070267
+H      0.46424456      0.21549418     -1.76597133
+H      2.12692559      1.77335507      0.66115368
+H      4.62407991      0.70056024     -0.85476451
+H      4.55272307      0.86524756      0.91787896
+H      4.51302969      3.25459908     -1.05977597
+H      5.67904733      2.85231474      1.77380064
+H      5.79066255      4.37295024      0.70416781 
+
+11
+-1131.1556427004557 9.53988 10.07737 -9.8522 -7.679 -10.112 1.354 -0.4928 0.278 9.72044 0.30866 4.36616699 10.7396921172 0.435081052
+O      0.86229744      0.51684473     -0.73353616
+N      2.26346581      0.45080885     -0.91671726
+C      2.88012847      1.09467696      0.00199670
+C      4.38655584      1.11559202     -0.01910584
+C      4.92667116      2.47235539      0.00187588
+C      5.35983798      3.60515261      0.03264479
+H      0.53659498      0.00494166     -1.49593462
+H      2.34510437      1.62774474      0.79871873
+H      4.73366157      0.57410373     -0.91252811
+H      4.76820169      0.56487122      0.85957063
+H      5.74671070      4.60356808      0.04749525 
+
+12
+-1301.2652236629697 11.623556 11.8298 -8.4652 -6.5304 -8.168 1.0428 -0.4499 0.301 7.65531 0.28113 4.3220155754 11.7743552872 0.47833476
+C      0.85993029      0.09349390     -0.00837300
+C      2.35709804      0.05257458     -0.00002127
+C      3.24901054      1.10200684      0.00400356
+C      4.61565100      0.69534383      0.01091437
+C      4.76261417     -0.66974366      0.01212752
+S      3.22212129     -1.46666348      0.00486512
+H      0.51878527      1.13713817     -0.00107632
+H      0.42984535     -0.40679076      0.87214559
+H      0.44032303     -0.39095552     -0.90277464
+H      2.92607538      2.14343052      0.00210014
+H      5.45751665      1.38667072      0.01495283
+H      5.67506898     -1.25877515      0.01714610 
+
+11
+-1176.0672575022086 10.785781 11.00125 -9.1877 -7.4307 -9.206 0.5775 -1.0341 -0.284 8.50841 0.86729 4.6553767336 10.1300653538 0.540697556
+C      0.88591209      0.04653219     -0.00796649
+C      2.38254412      0.05906728      0.00043903
+C      3.24534819      1.13718742      0.00313200
+C      4.60196724      0.71626136      0.01040641
+N      4.83742585     -0.59091718      0.01393378
+S      3.35303166     -1.38150916      0.00741633
+H      0.49857053      1.07329096     -0.00066691
+H      0.48142168     -0.47460208      0.87163357
+H      0.49166217     -0.45803416     -0.90184675
+H      2.92004038      2.17684232      0.00004137
+H      5.46144607      1.39012105      0.01388767 
+
+12
+-1301.3495778679671 11.610617 11.89832 -8.5878 -6.6738 -8.348 1.1502 -0.3798 0.257 7.76807 0.28406 4.4349544228 6.2945708424 0.399147178
+C      0.92245289      0.01760875     -0.00877301
+C      2.42565757      0.05266964     -0.00054714
+C      3.18063917      1.20544704      0.00301439
+S      4.88245502      0.87766348      0.01122938
+C      4.59846747     -0.83060455      0.01035288
+C      3.25498646     -1.11492040      0.00371407
+H      0.49882096      1.03012101     -0.00091978
+H      0.53263652     -0.51818846      0.86998991
+H      0.54186438     -0.50043948     -0.90218543
+H      2.83142815      2.23466570      0.00115845
+H      5.43887020     -1.51857723      0.01482227
+H      2.86235121     -2.13204550      0.00220402 
+
+11
+-1177.6720098568492 10.852669 11.1391 -9.0435 -7.2497 -9.531 0.7016 -0.9473 -0.277 8.83195 0.81596 4.8493776278 11.611040928 0.37513892
+C      0.93780186      0.01198184     -0.00554806
+C      2.43883895      0.04275185     -0.00120562
+N      3.06644626      1.21814709      0.00166310
+S      4.72581156      0.95472266      0.00562099
+C      4.60735770     -0.76282400      0.00294926
+C      3.27840752     -1.11474578     -0.00049475
+H      0.54125219      1.03342215      0.00314342
+H      0.55380957     -0.52360528      0.87497602
+H      0.55882329     -0.50603528     -0.89874662
+H      5.48391299     -1.40572946      0.00447233
+H      2.91303811     -2.14070580     -0.00247007 
+
+11
+-1177.9661412763128 10.822313 11.00767 -8.9131 -7.0158 -8.511 0.7678 -0.873 -0.063 8.06038 0.74557 4.2000133514 10.5279984208 0.308527142
+C      0.86484422      0.08874107     -0.00822071
+C      2.35869520      0.01944929     -0.00034733
+C      3.27049717      1.04944777      0.00434312
+N      4.60276343      0.70769004      0.01086044
+C      4.73835170     -0.59188644      0.01110036
+S      3.23596851     -1.49040197      0.00369453
+H      0.54561868      1.13934011     -0.00203719
+H      0.42692351     -0.40197693      0.87317056
+H      0.43710018     -0.38844408     -0.90202103
+H      2.99159523      2.10371300      0.00331091
+H      5.69276216     -1.11578186      0.01587634 
+
+11
+-1175.4547313331168 10.772692 11.05912 -9.0768 -7.2174 -9.285 0.6205 -1.0059 -0.365 8.63739 0.91078 4.6659775366 10.429020397 0.360752852
+C      0.94510559      0.00719690     -0.00763017
+C      2.44716102      0.04664529     -0.00101199
+C      3.23259643      1.18227096      0.00211028
+S      4.89573877      0.73784525      0.00868222
+N      4.60674575     -0.91738685      0.00717220
+C      3.29269295     -1.10481995      0.00230010
+H      0.51853911      1.01785548      0.00195842
+H      0.55833785     -0.52992818      0.87094795
+H      0.56557414     -0.50993161     -0.90131378
+H      2.91316584      2.22184581      0.00111693
+H      2.92512256     -2.13430309      0.00095784 
+
+11
+-1179.5786824327374 10.872581 11.18327 -8.939 -6.987 -8.602 0.7996 -0.8329 -0.1 8.05349 0.74419 4.2381762422 11.0326710352 0.470907251
+C      0.96258008     -0.00973533     -0.00736970
+C      2.45827035      0.07709778      0.00028196
+C      3.20101332      1.23627666      0.00148462
+S      4.89352708      0.87435685      0.01040719
+C      4.48495296     -0.82419524      0.01169537
+N      3.20459939     -1.08642353      0.00629679
+H      0.50408698      0.98651345     -0.00035363
+H      0.60622337     -0.56666415      0.87110894
+H      0.61384998     -0.55021621     -0.89921585
+H      2.85278772      2.26498513     -0.00220163
+H      5.26876877     -1.57970541      0.01732593 
+
+11
+-1179.9852135527049 10.872195 11.10111 -8.9025 -6.9608 -8.607 0.7741 -0.8187 0.04 8.13499 0.64051 4.361145557 11.6027090688 0.406090488
+C      0.90003683      0.08257283     -0.00474737
+C      2.39215979     -0.01031384     -0.00537045
+N      3.20369047      1.01822921     -0.00879589
+C      4.52063136      0.62025157     -0.00963981
+C      4.74175653     -0.73223969     -0.00709360
+S      3.22510049     -1.56889404     -0.00320820
+H      0.61928129      1.14209474      0.00494816
+H      0.46467691     -0.40613676      0.87845627
+H      0.46554788     -0.38900594     -0.89777453
+H      5.30527991      1.37590232     -0.01224227
+H      5.68340853     -1.27286040     -0.00699231 
+
+14
+-1300.4107970458729 9.881291 11.05336 -10.2633 -8.2777 -10.299 0.659 -0.318 0.063 9.97321 0.26571 5.2893419488 10.6009517832 0.129170914
+C      0.98258409     -0.06971572     -0.03697903
+C      2.49944794      0.04932568     -0.02223735
+S      3.10772266      1.75931377      0.07266310
+C      2.61883304      2.48764255     -1.50338414
+O      2.36141331      2.45491560      1.13600022
+O      4.57871811      1.69640099      0.09291740
+H      0.69128707     -1.12512246      0.05260481
+H      0.54817291      0.31363985     -0.97034979
+H      0.54357952      0.48161560      0.80435614
+H      2.98809984     -0.39798574     -0.89918907
+H      2.94250372     -0.40047313      0.87898181
+H      3.08807719      1.92645842     -2.31898985
+H      3.00483867      3.51351062     -1.47467077
+H      1.52643190      2.49621398     -1.58119349 
+
+10
+-1097.053014058834 10.202268 10.53933 -8.2584 -6.3617 -8.551 0.7245 -0.2371 0.517 8.06052 0.09506 3.9701681046 10.8813709194 0.636482438
+Cl      0.94337090      0.07093421     -0.01059095
+C      2.68214468      0.01743388     -0.00162183
+C      3.51378171      1.12340424      0.00286568
+N      4.80444860      0.63955328      0.00949750
+C      4.79853630     -0.73728575      0.00934285
+C      3.48028288     -1.15852529      0.00260445
+H      3.28846895      2.18291624      0.00175185
+H      5.63610341      1.21829027      0.01392784
+H      5.72260540     -1.30481482      0.01411416
+H      3.12429716     -2.18293626      0.00068845 
+
+9
+-1017.4907635555458 9.33806 9.83901 -8.9084 -6.8823 -8.947 1.2601 -0.3568 -0.052 8.4875 0.61591 3.9414033526 10.8677572566 0.487704536
+Cl      0.93196208      0.06942416     -0.00929832
+C      2.66431988      0.01533023     -0.00134379
+C      3.50554377      1.09311273      0.00209490
+O      4.80380538      0.65462515      0.00821588
+C      4.76397715     -0.71618939      0.00858367
+C      3.47495501     -1.16466620      0.00283424
+H      3.34757432      2.16432188      0.00094489
+H      5.72649382     -1.21491870      0.01322646
+H      3.13307858     -2.19379986      0.00167207 
+
+9
+-993.6441011906975 11.792263 12.06808 -8.8266 -6.9949 -8.974 0.6606 -0.8799 -0.327 8.4346 0.92371 4.0871736928 10.7328108942 0.595461616
+Cl      0.93066569      0.01516477     -0.01171728
+C      2.67630065      0.05668544     -0.00219938
+C      3.40032384      1.22421357      0.00141786
+S      5.09604306      0.88148205      0.01084500
+C      4.81384680     -0.82781473      0.00982192
+C      3.47374793     -1.12406014      0.00253489
+H      3.03536243      2.24558900     -0.00088890
+H      5.65651831     -1.51263691      0.01466390
+H      3.06233129     -2.13091306      0.00055198 
+
+12
+-1151.5744204179891 9.819433 10.69876 -10.421 -8.451 -10.325 0.3572 -1.3835 -0.17 9.70124 0.76213 5.2458228628 6.6899002034 0.157280825
+C      0.96169619     -0.13990778      0.22541785
+S      2.71373175     -0.01083334     -0.16895426
+O      3.46443776     -0.66769608      0.91383293
+O      2.88497437     -0.40426835     -1.57654352
+C      3.02010367      1.74788327     -0.02312902
+C      3.36098740      2.45922460     -1.09658178
+H      0.38707563      0.38789828     -0.54298707
+H      0.78994223      0.27476576      1.22501533
+H      0.73608306     -1.21331551      0.21488498
+H      2.97321454      2.12998443      0.99806436
+H      3.40971347      1.98243595     -2.07755926
+H      3.61224993      3.51773878     -1.01700055 
+
+10
+-985.2645115749048 9.387235 10.63627 -10.7524 -8.7258 -10.61 0.7303 -1.1429 -0.874 10.22276 1.35376 4.462628098 11.5188077426 0.269046197
+C      1.05521202      0.03682190     -0.00072533
+S      2.84108303     -0.11258043      0.01194584
+O      3.25442969     -0.68473973      1.29551927
+O      3.27185078     -0.69243586     -1.26246513
+C      3.31716005      1.56113808      0.00933112
+C      3.70584266      2.71156603     -0.00044326
+H      0.75491808      0.56111056     -0.91397825
+H      0.74240450      0.56600672      0.90548891
+H      0.67933310     -0.99425641     -0.00050882
+H      4.04975609      3.72753914     -0.00890436 
+
+11
+-1174.9763420197287 11.306761 11.08914 -7.6825 -5.7933 -7.866 0.9842 -0.2641 0.351 7.36841 0.22438 4.104680516 6.2773615856 0.35774165
+N      0.86169379      0.05014167     -0.22697186
+C      2.25386411      0.01536001     -0.07836024
+C      3.14571356      1.06526648     -0.01040826
+C      4.50608267      0.63593871      0.03420015
+C      4.65091934     -0.72616685      0.00425658
+S      3.10156012     -1.51990246     -0.10710517
+H      0.47423318      0.96730215     -0.01062742
+H      0.36904822     -0.66801500      0.30246009
+H      2.83373679      2.10928491      0.01328073
+H      5.35053353      1.32125066      0.09969960
+H      5.55386469     -1.32660027      0.04869580 
+
+11
+-1176.8324638007527 11.272562 11.13777 -7.7563 -5.9049 -8.131 1.2613 -0.2925 0.255 7.53541 0.25326 4.273859413 6.022062013 0.357353428
+N      0.93745969     -0.01178046     -0.22314414
+C      2.33439355      0.04686757     -0.06887087
+C      3.08700361      1.20484164     -0.00876054
+S      4.78659591      0.86285237      0.07124036
+C      4.49702896     -0.84018865      0.03571248
+C      3.15674379     -1.12674251     -0.04447394
+H      0.45990164      0.83773779      0.07100134
+H      0.51867900     -0.82102348      0.23170434
+H      2.74218224      2.23475549     -0.01405944
+H      5.33296370     -1.53232650      0.06954170
+H      2.76052791     -2.14097327     -0.09459128 
+
+10
+-1104.792019039389 10.377864 10.38284 -8.1322 -6.2161 -8.298 1.3396 -0.245 0.123 7.84648 0.42068 4.2730906998 6.313553099 0.363416965
+O      0.82665867      0.09908918     -0.00614515
+C      2.19184642      0.10154161      0.00034129
+C      3.08635169      1.14544720      0.00480055
+C      4.44023159      0.68931935      0.01117766
+C      4.55558026     -0.67615674      0.01147972
+S      2.99388627     -1.45163772      0.00385815
+H      0.52263787      1.02460162     -0.00736701
+H      2.78960423      2.19397140      0.00357915
+H      5.29954410      1.35848945      0.01538699
+H      5.45108889     -1.28934535      0.01560865 
+
+10
+-1107.7541347562499 10.371577 10.40484 -8.2795 -6.4155 -8.499 1.1542 -0.458 0.049 7.95017 0.43746 4.4021105314 11.083790463 0.430014833
+O      0.90992859     -0.05243079     -0.00722606
+C      2.27879653      0.06062708     -0.00073770
+C      3.01628046      1.22534148      0.00283594
+S      4.71769044      0.87962091      0.01090001
+C      4.42537281     -0.82634189      0.00937635
+C      3.08463391     -1.11740642      0.00300700
+H      0.52152391      0.83978449     -0.00901271
+H      2.66693335      2.25368901      0.00127622
+H      5.26508609     -1.51459157      0.01330682
+H      2.66907390     -2.12322230      0.00095413 
+
+12
+-1160.136048414056 9.213885 10.27934 -10.2665 -8.3673 -10.211 0.6975 -0.281 0.233 9.87961 0.05409 5.245723674 11.5202583788 0.171756243
+O      0.83670237     -0.04325199      0.24459421
+S      2.26143556     -0.00378365     -0.11004501
+O      2.69606914      0.04496612     -1.51474367
+C      3.24720918      1.16478614      0.91345764
+C      4.18353599     -0.00451828      1.31583223
+C      3.29569381     -1.18672526      0.84688060
+H      2.62011424      1.54660737      1.72808293
+H      3.68437328      1.98201315      0.33033142
+H      5.12581777      0.03071698      0.75680428
+H      4.40646412     -0.03031991      2.38887751
+H      3.76542449     -1.95101575      0.21900844
+H      2.68576004     -1.63948492      1.63785941 
+
+17
+-1779.743611057929 11.234834 12.31053 -9.3311 -7.2027 -10.146 1.0085 0.1622 2.94 9.76041 -2.74744 8.1254969016 11.0264841338 0.220930888
+C      1.77589240     -0.00006298     -0.54842693
+C      0.84501153      0.76298943      0.36623729
+C      0.84493919     -0.76314201      0.36612577
+C     -0.61647903     -1.02710652     -0.05248416
+C     -0.88487519      0.00014157     -1.18465274
+C     -0.61638427      1.02716503     -0.05230925
+C     -1.35983603     -0.00001832      0.87481373
+H      1.63378343      0.00000328     -1.62950613
+H      2.82545675     -0.00012913     -0.24907962
+H      1.25903376      1.33263331      1.19941732
+H      1.25885547     -1.33295388      1.19925029
+H     -0.93574328     -2.07392360     -0.13870954
+H     -1.94284309      0.00021069     -1.47685351
+H     -0.25769189      0.00019889     -2.08551965
+H     -0.93556247      2.07402450     -0.13834337
+H     -1.09539366     -0.00012562      1.94318621
+H     -2.45180364      0.00004534      0.73958429 
+
+17
+-1734.3305667525703 11.741567 12.87713 -8.0996 -6.0551 -8.245 1.0166 0.1733 2.429 7.83085 -2.03599 5.6806913592 11.351104279 0.205863495
+C     -1.74431714      0.95161569      0.33257525
+C     -1.39828491     -0.39602628     -0.26735071
+C     -0.41934552     -1.38941782      0.46261702
+C      0.89862667     -0.87428282     -0.13052703
+C      2.12233988     -0.00034135      0.02614920
+C      0.73417363      0.63132355      0.08641887
+C     -0.59124109      0.87813798     -0.64268933
+H     -2.67416608      1.41483749     -0.00446235
+H     -1.51349454      1.13804800      1.38460755
+H     -2.11968428     -0.82227340     -0.96864455
+H     -0.47171686     -1.29323199      1.55769943
+H     -0.65344954     -2.43296916      0.19882368
+H      0.81773175     -1.04727337     -1.21323219
+H      2.67895065      0.11389024      0.96056216
+H      2.75100195      0.02173859     -0.86728781
+H      0.56228226      0.81760605      1.15505276
+H     -0.66917682      1.34574860     -1.62543196 
+
+17
+-1816.2059375693973 11.037504 12.06474 -9.6538 -7.5188 -11.017 0.9722 0.0894 3.198 10.58512 -2.91153 8.969023254 12.414222236 0.376256634
+C      0.57325645      1.20957977      0.66672024
+C     -0.86787668      0.76746030      0.43323421
+C     -0.88002358     -0.01213237     -0.87456737
+C      0.55411901     -0.01911240     -1.39420518
+C      1.25628962      0.00031056     -0.01547475
+C      0.57373708     -1.18969611      0.70023873
+C     -0.86756499     -0.75486358      0.45450048
+H      0.81472428      2.16334601      0.17187968
+H      0.82945784      1.29004295      1.73476662
+H     -1.72979075      1.34466074      0.76381545
+H     -1.75108447     -0.02143471     -1.52763925
+H      0.79500608     -0.92245261     -1.97626265
+H      0.79464097      0.86773098     -2.00125636
+H      2.35246896      0.00039091     -0.02566823
+H      0.82996827     -1.24022550      1.77011111
+H      0.81559316     -2.15679764      0.23219260
+H     -1.72925125     -1.32295729      0.80105468 
+
+19
+-1918.578028834672 12.202358 13.93366 -9.9015 -7.7365 -11.222 1.0448 0.2067 3.099 11.07898 -2.74465 9.3389230864 11.2743197492 0.34418699
+C      1.25812676      0.20114692      0.11978451
+C      0.99836471     -0.04337955      1.59377238
+C      0.12809272     -1.19680377      2.03382140
+C      1.61677132     -1.22606206      2.30175888
+C      2.50521266      1.01946621     -0.15443518
+C      3.85493873      0.35396416     -0.28766832
+C      3.18088727      0.95109786     -1.50347265
+H      1.33945921     -0.77019194     -0.40036689
+H      0.38441270      0.71304711     -0.32281095
+H      0.90855093      0.86791333      2.19284411
+H     -0.26028032     -1.85938967      1.25804414
+H     -0.54626326     -1.04794574      2.87781971
+H      1.95956685     -1.09861043      3.32900020
+H      2.22447726     -1.90897578      1.70583778
+H      2.51252294      2.00317729      0.32485009
+H      3.89174077     -0.73393536     -0.21220668
+H      4.72890583      0.86298972      0.11973006
+H      3.59439866      1.86713063     -1.92641512
+H      2.76390425      0.26215108     -2.24056747 
+
+19
+-1956.8085647312341 11.697576 12.75414 -10.4177 -8.0907 -11.652 0.9274 0.006 3.112 11.49404 -2.93408 10.0813264572 11.1326657442 0.239092833
+C     -1.25038627     -0.78209455     -0.52854907
+C     -1.25341843      0.78176630     -0.52271011
+C     -0.00517262      1.13181802      0.31974819
+C      1.25540846      0.78437101     -0.50556809
+C      1.25836824     -0.77948907     -0.50793136
+C     -0.00237024     -1.13388838      0.31385545
+C     -0.01166632     -0.00377353      1.36619706
+H     -1.19184494     -1.20406081     -1.54312862
+H     -2.16267247     -1.18159378     -0.06029525
+H     -2.16601802      1.17394319     -0.04880877
+H     -1.19930109      1.21183775     -1.53411225
+H     -0.00893353      2.15698282      0.71513752
+H      2.16050452      1.18132379     -0.02145284
+H      1.21223632      1.21170354     -1.51867092
+H      2.16378079     -1.17423456     -0.02252360
+H      1.21937498     -1.20419469     -1.52229188
+H     -0.00450577     -2.16109728      0.70390959
+H     -0.91322336     -0.00633987      1.99801606
+H      0.88029976     -0.00452990      2.01148891 
+
+19
+-1939.9226163088915 11.779329 12.85885 -10.0865 -7.832 -11.387 0.9322 0.0187 3.001 11.1578 -2.8217 9.675557475 10.3754708436 0.191055758
+C     -0.86874456      0.00112032     -1.15399051
+C     -0.63963328      1.06530596     -0.03701458
+C     -1.16845950     -0.00146975      0.96150796
+C     -0.64000495     -1.06591513     -0.03967815
+C      0.86262487     -1.28857561      0.20558686
+C      1.66538147     -0.00062911     -0.08747384
+C      0.86305527      1.28686234      0.20879275
+H     -1.91506601      0.00173431     -1.49084796
+H     -0.20777367      0.00209634     -2.03383562
+H     -1.18514480      2.01784498     -0.10815740
+H     -0.74810225     -0.00282406      1.98020278
+H     -2.26697319     -0.00133806      1.01722953
+H     -1.18579203     -2.01811616     -0.11319629
+H      1.00329204     -1.61348051      1.25066217
+H      1.24033669     -2.10601974     -0.42991275
+H      1.93304862      0.00066007     -1.15546191
+H      2.62036269     -0.00146296      0.45918615
+H      1.24104577      2.10574602     -0.42467937
+H      1.00384682      1.60912076      1.25467019 
+
+19
+-1922.4147968125421 12.166092 13.50168 -9.7444 -7.615 -10.373 1.0215 0.1739 2.972 9.99118 -2.75381 8.439851006 11.3720827102 0.322374993
+C     -1.75487780      0.72099119      0.28504737
+C     -1.76602748     -0.73983226     -0.29530422
+C     -0.24955780     -0.77450883      0.06713638
+C      1.07934459     -1.19873561     -0.54399445
+C      2.01461646     -0.03122288     -0.02309145
+C      1.09790464      1.14406321      0.51214716
+C     -0.24089720      0.73706828     -0.08878373
+H     -2.41111278      1.46914753     -0.17979244
+H     -1.91863849      0.71274265      1.37340723
+H     -1.93773845     -0.72948958     -1.38243007
+H     -2.42797584     -1.47987066      0.17440214
+H     -0.20690385     -0.98333652      1.15436474
+H      1.44717571     -2.18561742     -0.22759351
+H      1.03118726     -1.19243158     -1.64416542
+H      2.67673868     -0.39400610      0.77583803
+H      2.66535263      0.32664429     -0.83356226
+H      1.05925663      1.13253550      1.61269407
+H      1.47440891      2.12821399      0.19742560
+H     -0.20376580      0.94562479     -1.17628518 
+
+19
+-1919.963478487485 12.081373 13.57686 -9.7662 -7.6041 -11.023 1.0119 0.1414 3.008 10.74093 -2.65121 9.0662530752 10.2878251402 0.163158017
+C      0.71685623      1.08010856     -0.35775425
+C     -0.49632074      0.24240970     -0.01835656
+C      0.86839775     -0.40139697     -0.09895639
+C      1.59366612     -0.91642870      1.12207181
+C      1.46112505     -0.21225900      2.50465185
+C      1.49672815     -1.61410956      3.17218651
+C      1.10984349     -2.23129148      1.80321115
+H      0.82923449      1.44809073     -1.37804674
+H      1.08046370      1.76257545      0.41252265
+H     -1.21176493      0.02367272     -0.81157084
+H     -0.94741300      0.38550952      0.96487571
+H      1.03250519     -1.01284376     -0.99173570
+H      2.66683977     -1.01162360      0.88056015
+H      0.47498893      0.25898921      2.63215416
+H      2.23713041      0.51363009      2.78402092
+H      2.51828426     -1.89340586      3.46831667
+H      0.82380858     -1.79039022      4.02230937
+H      1.58853889     -3.17413743      1.50335409
+H      0.01870765     -2.33767940      1.70431543 
+
+19
+-1939.3594806692156 12.065417 13.41736 -9.6438 -7.4471 -10.837 0.9753 0.1009 3.018 10.47566 -2.65703 8.7457740624 10.7264132166 0.295716005
+C      1.89187843      0.13168620     -0.72171549
+C      1.84558812     -0.13036072      0.76911945
+C      0.56250876      0.00682423     -0.01730106
+C     -0.35205744      1.22795735      0.20173411
+C     -1.76545500      0.73111375     -0.16019613
+C     -1.73086870     -0.75938552      0.21506835
+C     -0.34351077     -1.20838219     -0.27387159
+H      2.20531925      1.12247904     -1.05673221
+H      2.20243800     -0.68732469     -1.37403495
+H      2.12957168     -1.12351236      1.12296910
+H      2.12218941      0.68705865      1.43849070
+H     -0.32345046      1.53312585      1.26102723
+H     -0.04352457      2.09749845     -0.39766518
+H     -2.56061631      1.29153634      0.35214676
+H     -1.93638911      0.83262204     -1.24495210
+H     -2.55301395     -1.33923268     -0.22865355
+H     -1.79983476     -0.86900503      1.31041577
+H     -0.38586330     -1.42213471     -1.35577017
+H      0.01780069     -2.11866402      0.22719095 
+
+19
+-1938.5822687231882 11.847266 13.15974 -9.5899 -7.4587 -10.843 0.9779 0.0834 3.12 10.40272 -3.1154 8.9099315264 11.2234358948 0.179937367
+C     -1.75567696      0.85788666      0.51652661
+C     -1.15112959     -0.23813498     -0.33071951
+C     -0.34163506     -1.36228298      0.29572235
+C      1.10139732     -1.36662548     -0.25137537
+C      1.78562600      0.03035925     -0.17252262
+C      0.87148005      1.11531582      0.43479938
+C     -0.48354075      1.12500689     -0.25452519
+H     -2.67559315      1.32777701      0.16651300
+H     -1.68185681      0.76128993      1.60281401
+H     -1.67272376     -0.48504068     -1.25907666
+H     -0.32217012     -1.24377532      1.39139207
+H     -0.81745603     -2.33653315      0.10586311
+H      1.69562515     -2.11587369      0.29449063
+H      1.07519110     -1.70475979     -1.29954887
+H      2.71624177     -0.03110555      0.41289790
+H      2.08341031      0.35176082     -1.18333025
+H      0.74117207      0.92884008      1.51324804
+H      1.35520030      2.10081225      0.35514747
+H     -0.56793183      1.76981292     -1.13318611 
+
+21
+-2083.5903052053823 12.487706 13.82093 -10.8512 -8.4354 -11.955 0.9392 0.0281 3.101 11.96044 -2.86483 10.185387907 10.6197356622 0.176749848
+C     -1.53921093      0.76188048      0.12832939
+C     -1.54292512     -0.75615216     -0.09378213
+C     -0.30796585     -1.52196605      0.40857627
+C      0.96347978     -1.24813260     -0.41373078
+C      1.77693297      0.00134612     -0.02250383
+C      0.97462884      1.25279402      0.38566237
+C     -0.31655094      1.52626556     -0.40540395
+H     -2.45258978      1.17839901     -0.32890506
+H     -1.62227954      0.96764606      1.21148785
+H     -1.65383324     -0.96174870     -1.17447452
+H     -2.44481665     -1.17166388      0.38659750
+H     -0.13087820     -1.30450073      1.47740805
+H     -0.53440821     -2.59931927      0.35469595
+H      1.63528057     -2.11979527     -0.35309360
+H      0.66963816     -1.17872726     -1.47584804
+H      2.45254807     -0.25454614      0.81121405
+H      2.43555394      0.25554962     -0.87021264
+H      0.70699305      1.18626221      1.45486069
+H      1.64555202      2.12362973      0.30636631
+H     -0.54089250      2.60383832     -0.34731210
+H     -0.16615643      1.30738091     -1.47802176 
+
+19
+-1940.251699699156 12.05409 13.30365 -9.3608 -7.2264 -10.317 0.9619 0.0787 3.019 9.91865 -2.66781 8.2829343244 11.1895257238 0.146931902
+C      1.40128414     -0.26419577     -0.42997574
+C      2.80131390      0.05443298      0.04355771
+C      3.65083475     -1.03532338      0.65933962
+C      4.04394325     -0.44872963     -0.68029835
+C      5.09829642      0.66029842     -0.67732451
+C      4.31446670      1.94854533     -0.33329218
+C      3.10977381      1.48627781      0.51725329
+H      1.08381340      0.42504380     -1.22892403
+H      0.67257714     -0.18132329      0.39226672
+H      1.33855329     -1.28844194     -0.82559189
+H      3.24170786     -2.04815681      0.66871587
+H      4.27083976     -0.78843416      1.52574749
+H      3.94363738     -1.08260875     -1.56429756
+H      5.88058806      0.45849003      0.07378483
+H      5.60493539      0.73957846     -1.65019374
+H      4.93117326      2.71014974      0.16768140
+H      3.93965751      2.39721975     -1.26752469
+H      3.35099597      1.50201057      1.59318465
+H      2.23803803      2.14285684      0.37668111 
+
+19
+-1938.231322459004 12.002211 13.26478 -10.3752 -8.2189 -11.621 0.9475 0.0604 2.917 11.30622 -2.59092 9.6354975984 9.9376390818 0.087802934
+C      1.00533308     -0.10118926     -0.05746675
+C      2.50816505      0.05749061     -0.01086951
+C      3.45352923     -0.54821154     -1.09857310
+C      4.53290827     -0.35860990      0.00446121
+C      3.40500403     -0.70653573      1.01665929
+C      4.60330975      1.17673556      0.12107730
+C      3.07337075      1.49236463      0.10936953
+H      0.53643788      0.30815428      0.85135059
+H      0.71439110     -1.15909801     -0.13943276
+H      0.57822226      0.43393692     -0.92035164
+H      3.57338458      0.00021878     -2.04660858
+H      3.23150522     -1.60749209     -1.29239531
+H      5.48250711     -0.90836771     -0.01493892
+H      3.17789985     -1.78209857      1.04011136
+H      3.47977371     -0.30596235      2.04030062
+H      5.09637301      1.50063454      1.04960579
+H      5.13761488      1.63381141     -0.72494676
+H      2.77362079      2.12060883     -0.74356390
+H      2.73267945      1.98790961      1.03154156 
+
+19
+-1934.4202339894914 11.93193 13.20699 -10.2228 -8.0208 -11.594 0.9686 0.098 3.022 11.27988 -2.76345 9.699796738 10.8772793814 0.145205404
+C      1.03571812      0.00307978      0.07601854
+C      2.55225967     -0.00136537     -0.06372749
+C      3.19515601      1.04957583     -1.03169734
+C      2.87951145      0.05430786     -2.18716882
+C      3.18606889     -1.00390252     -1.08692393
+C      4.69106696     -0.77387283     -0.84817404
+C      4.69807447      0.79412707     -0.80695239
+H      0.70677805      0.85776767      0.68706562
+H      0.68934635     -0.91304030      0.57900132
+H      0.51355012      0.06782386     -0.88889725
+H      3.00951915     -0.03166219      0.94187198
+H      2.85610959      2.09461922     -1.05401298
+H      3.53394239      0.07532256     -3.07254646
+H      1.82920719      0.06671834     -2.50059003
+H      2.83821765     -2.04338658     -1.16480722
+H      5.03572068     -1.22238738      0.09562039
+H      5.30965636     -1.17864721     -1.66285112
+H      5.31941260      1.23550779     -1.60027306
+H      5.04758431      1.18974438      0.15842427 
+
+19
+-1938.216331028358 11.887882 13.12504 -9.5132 -7.3787 -10.601 0.9209 0.0224 3.137 10.20349 -2.94733 8.7144675974 10.5139012126 0.175085075
+C      0.75442450      0.00073098     -0.07688317
+C      2.24922008      0.01929175      0.15104528
+C      3.22818770     -0.85388275     -0.61292500
+C      2.77141146     -1.50187397     -1.92091794
+C      2.86305526     -0.38795592     -2.99570884
+C      2.78881215      0.96194294     -2.23636938
+C      3.23892164      0.65803217     -0.80657222
+H      0.29660174      0.94357572      0.26020934
+H      0.28377232     -0.81842252      0.48848191
+H      0.48312936     -0.13411038     -1.13279527
+H      2.51816465      0.15221832      1.20375999
+H      4.02047276     -1.34224186     -0.04253289
+H      3.41480198     -2.35683347     -2.17396002
+H      1.74566072     -1.89717159     -1.84039042
+H      3.83792928     -0.45992034     -3.50366324
+H      2.08898154     -0.48202614     -3.77285101
+H      3.44358458      1.71649678     -2.69553041
+H      1.76878745      1.37897124     -2.25984006
+H      4.03898085      1.26322903     -0.37622664 
+
+19
+-1920.241708914309 12.250801 14.03833 -9.3478 -7.2191 -10.522 1.005 0.1605 3.14 10.21859 -2.73852 8.6157127484 10.6020304614 0.345518229
+C      1.14688993     -0.13660517      0.10388536
+C      2.62888706     -0.08062906     -0.18721565
+C      3.16128436     -0.42608047     -1.56013844
+C      3.21238226      1.00490706     -1.06602511
+C      4.49426660      1.70108946     -0.71135618
+C      5.81440786      0.97562566     -0.59515202
+C      5.57561789      1.92572939     -1.74635985
+H      0.87640857      0.52028912      0.94533321
+H      0.82557594     -1.15847696      0.35897044
+H      0.56202384      0.18551603     -0.77123300
+H      3.27612974     -0.38400676      0.64131376
+H      2.43602740     -0.66023560     -2.34161718
+H      4.08881285     -0.99665170     -1.62549198
+H      2.47025971      1.66793203     -1.52461612
+H      4.36011832      2.52121826      0.00125511
+H      5.84704359     -0.09113793     -0.82074552
+H      6.49516394      1.28546465      0.19829036
+H      6.10336039      2.88009699     -1.75267384
+H      5.41567977      1.48399501     -2.73128337 
+
+19
+-1919.1956107121396 12.217917 13.73732 -9.19 -7.053 -10.298 0.9881 0.1257 2.921 10.01407 -2.50638 8.1689787918 10.369631103 0.576747626
+C      0.79015444      0.01130346     -0.54406210
+C      2.22192896      0.00226184     -0.04283762
+C      3.23660600     -0.76994237     -0.86342897
+C      3.24979177      0.74446914     -0.87461874
+C      2.44331865      0.01105752      1.45076913
+C      1.55968115      0.77852730      2.40873922
+C      1.55225049     -0.73542947      2.41839111
+H      0.77118833      0.00212060     -1.64275140
+H      0.24798540      0.91105004     -0.21471839
+H      0.23126036     -0.87243349     -0.19962497
+H      2.88496518     -1.28701166     -1.75782154
+H      4.03877332     -1.28350177     -0.33082138
+H      4.06090211      1.25181434     -0.34964680
+H      2.90703891      1.25429882     -1.77658679
+H      3.50482754      0.00745902      1.71724378
+H      0.67846286      1.28031875      2.00782528
+H      2.03529655      1.30213125      3.23865653
+H      2.02284468     -1.25304827      3.25489880
+H      0.66620331     -1.23373505      2.02378484 
+
+19
+-1935.4796493078675 11.9224 13.13134 -10.5837 -8.3843 -11.841 0.967 0.0929 3.07 11.57821 -2.76139 10.0432751538 10.9836221736 0.098700346
+C      0.96434081      0.02494664     -0.02222858
+C      2.48912759      0.02104191      0.05470460
+C      3.10594896     -1.11859536      0.94044666
+C      3.95364683     -0.26592124      1.90479908
+C      4.59850966      0.77047024      0.93717875
+C      3.12211596      1.23656986      0.77592452
+C      2.96274477      0.87304214      2.28257136
+H      0.59206324     -0.89743169     -0.49341665
+H      0.59720276      0.87449658     -0.61861215
+H      0.50573651      0.09269427      0.97610649
+H      2.89109552     -0.03712216     -0.97099108
+H      3.71523156     -1.82577953      0.35837766
+H      2.32958453     -1.69277841      1.47004389
+H      4.54290746     -0.79624853      2.66444654
+H      5.12158376      0.39281040      0.04420116
+H      5.21969122      1.50783735      1.46425912
+H      2.86636477      2.23201236      0.38783485
+H      3.42180503      1.62521473      2.93887877
+H      1.96741904      0.59632044      2.66197502 
+
+19
+-1938.7619818078645 11.920798 13.17953 -9.6003 -7.486 -10.688 0.9763 0.0886 3.036 10.30148 -2.76608 8.7886484212 11.176408005 0.27011121
+C      1.05171718      0.05901192      0.45193581
+C      2.53125505      0.00723560      0.05247044
+C      2.86510473     -1.32240132     -0.67761876
+C      2.62516989     -1.04433324     -2.16399034
+C      3.74036586     -0.37620971     -2.93330561
+C      2.62632936      0.46604905     -2.35749074
+C      2.86645428      1.10956379     -0.98911448
+H      0.80106069      1.01769161      0.93055267
+H      0.80055918     -0.74756359      1.15714348
+H      0.40466249     -0.05432921     -0.43250928
+H      3.14747283      0.12312524      0.95962572
+H      2.23422505     -2.14724933     -0.31389530
+H      3.91201504     -1.61792468     -0.49743874
+H      1.92648404     -1.67442054     -2.71652997
+H      4.72321910     -0.31603986     -2.45743071
+H      3.76873827     -0.51471537     -4.01526222
+H      1.92856020      0.93742901     -3.05132083
+H      3.91356132      1.44019940     -0.88887131
+H      2.23619546      1.99996123     -0.84533982 
+
+21
+-2067.2626572165887 12.920131 14.30558 -9.3317 -7.2063 -10.44 0.8807 -0.0164 2.935 10.02314 -3.06652 8.344629758 10.890372303 0.296777022
+C      0.91904824      0.14081719     -0.26563826
+C      2.41756882      0.10271864     -0.01146116
+C      2.73226652     -0.00578166      1.47208344
+C      3.29812101     -0.65155574     -0.99355573
+C      3.36979660      0.86528954     -0.94067596
+C      2.81239617      1.65626064     -2.11345525
+C      4.62479383      1.51050108     -0.37477892
+H      0.66378363      0.12881756     -1.33213415
+H      0.46293280      1.03962446      0.18069801
+H      0.43721748     -0.73629237      0.19534394
+H      3.80362863     -0.11953935      1.67684526
+H      2.22280973     -0.88349332      1.90106661
+H      2.37624033      0.88200908      2.01991697
+H      2.81915601     -1.11105322     -1.86150569
+H      4.14240525     -1.21785344     -0.59306398
+H      1.95531963      1.16783974     -2.59257052
+H      3.58928662      1.78255526     -2.88445410
+H      2.49435410      2.66351509     -1.79834394
+H      5.09716204      0.91226753      0.41369765
+H      4.40574477      2.50688027      0.04283271
+H      5.37129776      1.64538304     -1.17384694 
+
+21
+-2067.189541384814 12.858909 14.41971 -9.3342 -7.1891 -10.47 0.8648 -0.0298 3.048 10.08196 -2.68052 8.4373216916 10.3914154432 0.289735243
+C      1.02973301      0.09256319     -0.07738233
+C      2.54300619      0.05531369     -0.04961993
+C      3.37425374     -0.68696366     -1.08924477
+C      2.76091229     -1.45270181     -2.24224963
+C      3.42616881      0.83428769     -1.01686778
+C      2.80455355      1.67675133     -2.11602601
+C      4.69159732      1.45015150     -0.44515362
+H      0.64860152      0.97507263      0.45977247
+H      0.60833815     -0.79899817      0.41271513
+H      0.61866814      0.12823250     -1.09477005
+H      2.94523132      0.00049614      0.96769872
+H      4.26516745     -1.17785099     -0.68298254
+H      1.85242123     -0.98023975     -2.63796448
+H      2.48780926     -2.47320151     -1.93137683
+H      3.47284803     -1.54220244     -3.07750145
+H      1.88845010      1.24212065     -2.53409815
+H      3.51494530      1.81112151     -2.94777209
+H      2.54994821      2.67946125     -1.73619918
+H      5.12216751      0.81963993      0.34665855
+H      4.48912068      2.44300630     -0.01059900
+H      5.45896818      1.57847001     -1.22633702 
+
+21
+-2069.723405964636 12.744257 14.0916 -10.1378 -7.9507 -11.403 0.9134 0.0268 2.865 11.08069 -2.5479 9.4972160126 9.6482557578 0.102508139
+C      0.92118241     -0.00444280     -0.02015793
+C      2.43905544     -0.02067484      0.07629658
+C      3.16225936      1.03458873      0.95428098
+C      4.20504707     -0.04834765      1.33343132
+C      3.19804315     -1.15142173      0.87153860
+C      2.39891168     -1.70731457      2.05366241
+C      3.77055365     -2.28827452      0.03026460
+H      0.53827973     -0.87503128     -0.57549381
+H      0.57734870      0.89833658     -0.54891132
+H      0.44862009     -0.00398900      0.97384867
+H      2.86811249      0.01051685     -0.94061758
+H      2.54596383      1.33131142      1.81715920
+H      3.52597594      1.94592844      0.45922557
+H      5.08778894     -0.01147291      0.67706871
+H      4.54444483     -0.09029486      2.37921248
+H      1.98846350     -0.90929468      2.69023199
+H      3.04752875     -2.33421368      2.68596010
+H      1.55850054     -2.33269299      1.71359418
+H      4.35832388     -1.89966129     -0.81547996
+H      2.96883923     -2.92460592     -0.37879370
+H      4.43065682     -2.93448929      0.63147890 
+
+19
+-1942.5633430928308 11.912075 13.19918 -9.6647 -7.5189 -10.838 0.9667 0.0763 3.062 10.44961 -2.72633 8.904984485 11.0571706688 0.198466881
+C      1.26630754      0.33414635      0.64517407
+C      2.48814294     -0.11188390     -0.16008240
+C      2.32567819     -1.49844376     -0.82962260
+C      3.29794400     -1.49906293     -2.02870924
+C      3.37547747     -0.04042600     -2.46327970
+C      2.07118324      0.71416460     -2.59564029
+C      2.87254174      0.81216352     -1.31475476
+H      1.42976325      1.31770315      1.11044736
+H      1.03482228     -0.38109438      1.44896850
+H      0.37952554      0.41291442     -0.00330565
+H      3.35939437     -0.15442234      0.51981064
+H      1.28783471     -1.61645454     -1.18051999
+H      2.51452301     -2.32376480     -0.12856535
+H      4.30001305     -1.83264015     -1.71174909
+H      2.96852945     -2.17559223     -2.83382642
+H      4.22118449      0.28187765     -3.07335798
+H      2.07055761      1.59086399     -3.24399499
+H      1.13198396      0.15653938     -2.60102080
+H      3.34333316      1.76845197     -1.07780132 
+
+21
+-2086.550293382898 12.62138 14.02432 -10.7512 -8.4153 -12.034 0.95 0.0706 2.997 11.77472 -2.68899 10.171625461 10.840467938 0.11264837
+C      0.99126820      0.00211415     -0.07040620
+C      2.51244810      0.02200042      0.06001153
+C      3.07274847      1.14079914      0.95227375
+C      4.51957947      0.69779909      1.19984094
+C      4.40723210     -0.82763460      1.41567660
+C      3.11518120     -1.27774673      0.66377891
+C      3.35720908     -2.37152249     -0.37752210
+H      0.64947166     -0.83829085     -0.69342376
+H      0.61329880      0.92754272     -0.53013533
+H      0.51669704     -0.09979662      0.91887437
+H      2.94903292      0.15385419     -0.94908638
+H      2.51459660      1.16767001      1.90566750
+H      2.99070094      2.13816472      0.49449016
+H      5.12390497      0.91064489      0.30240300
+H      4.99924823      1.21562685      2.04269146
+H      5.29791209     -1.36275174      1.05273825
+H      4.31900209     -1.05372204      2.48949246
+H      2.39320978     -1.66413008      1.40543118
+H      4.11435716     -2.04912252     -1.11039777
+H      2.43736019     -2.61430746     -0.93152166
+H      3.71729089     -3.30079107      0.08850308 
+
+21
+-2069.5647798591813 12.757698 14.30827 -10.1693 -7.8924 -11.332 0.9371 0.0683 2.966 11.06505 -2.71011 9.556406929 10.46503833 0.125445528
+C      0.92400210     -0.02181871      0.04353214
+C      2.44420286      0.00356064      0.04413157
+C      3.18782851      1.07022997      0.89530765
+C      4.26065252      0.00104322      1.25901009
+C      5.52626586      0.08897064      0.41058069
+C      3.22380569     -1.09363664      0.82766281
+C      3.67296354     -2.35886198      0.11318225
+H      0.53537221     -0.90185348     -0.49227064
+H      0.50727428      0.87264522     -0.44494895
+H      0.53238164     -0.05437535      1.07268789
+H      2.81415429      0.03747435     -0.99535984
+H      2.59117140      1.36658897      1.77204006
+H      3.53885692      1.97908270      0.38381433
+H      4.54056587     -0.03549767      2.32359588
+H      5.29933214      0.16612415     -0.66397947
+H      6.17310613     -0.79006572      0.55283451
+H      6.10998673      0.98012185      0.68703042
+H      2.62838287     -1.36795903      1.71671961
+H      4.27167478     -2.13018268     -0.78124848
+H      2.80592372     -2.95479031     -0.21132254
+H      4.28265594     -2.99858013      0.77033002 
+
+21
+-2089.3974558678897 12.452557 13.73716 -10.5028 -8.1967 -11.9 0.9093 -0.0015 2.995 11.72436 -2.73776 10.2056968138 10.3419078334 0.182368607
+C      0.95508302      0.03695018      0.16240644
+C      2.48290099      0.01086506      0.00574039
+C      2.99639153     -1.33938261     -0.53911740
+C      2.67952051     -1.54476484     -2.02815500
+C      3.20958171     -0.38164848     -2.87839659
+C      2.68796167      0.96908662     -2.36838887
+C      3.00421846      1.16471952     -0.87784532
+H      0.62217014      0.99220673      0.59609859
+H      0.61582206     -0.76970737      0.82996340
+H      0.43100650     -0.08838885     -0.79643034
+H      2.91218757      0.14592410      1.01451653
+H      2.57895242     -2.16717552      0.05800038
+H      4.09225878     -1.37821463     -0.40403112
+H      3.11348484     -2.49699962     -2.37325706
+H      1.58861282     -1.63551469     -2.17202534
+H      4.31459865     -0.38015647     -2.83943406
+H      2.93439706     -0.52382774     -3.93598084
+H      3.12852982      1.79240807     -2.95340211
+H      1.59768174      1.02588994     -2.53279841
+H      4.10038322      1.23136728     -0.75666283
+H      2.59228650      2.12396331     -0.52259044 
+
+21
+-2086.1088460014835 12.546833 13.80881 -10.7927 -8.4661 -12.114 0.8978 -0.0268 2.922 11.93285 -2.57974 10.2791585188 11.6340775268 0.14438068
+C      0.93933295      0.02103749     -0.04741247
+C      2.46969247     -0.00449958      0.01522614
+C      3.04500451      0.04957539     -1.41205658
+C      3.04554771      1.14478816      0.87768091
+C      4.46352978      0.68872903      1.28675200
+C      4.44072575     -0.86747287      1.21484879
+C      3.00867092     -1.24187371      0.77305371
+H      0.50088171     -0.01656551      0.96178011
+H      0.55035912     -0.83760213     -0.61691995
+H      0.57591526      0.93658611     -0.53990435
+H      4.14479598      0.03109450     -1.41631864
+H      2.72485586      0.96853136     -1.92720827
+H      2.69481080     -0.80834891     -2.00684242
+H      2.41405510      1.26342017      1.77415557
+H      3.04071177      2.11030549      0.34862750
+H      5.21848922      1.09536065      0.59719396
+H      4.72991497      1.05315379      2.28915708
+H      5.18041641     -1.23005485      0.48591775
+H      4.70036790     -1.33093577      2.17723647
+H      2.97262811     -2.15783943      0.16286885
+H      2.37418372     -1.41694939      1.65815384 
+
+21
+-2070.472601438927 12.867467 14.3403 -10.1757 -7.9979 -11.473 0.9027 0.0212 2.899 11.25546 -2.60125 9.672891776 9.6808516772 0.126259051
+C      0.94739140     -0.01121328      0.11528371
+C      2.46583119      0.00767492      0.04207457
+C      3.24464374      1.07551362      0.86015594
+C      4.31459948     -0.00527544      1.22360583
+C      4.77826092     -0.04093495      2.67637312
+C      5.51255246      0.03488115      0.27041104
+C      3.26888435     -1.08738479      0.79858040
+H      0.53112765     -0.88662715     -0.40727723
+H      0.51242072      0.88930716     -0.34577919
+H      0.60414214     -0.05102447      1.16146975
+H      2.78288195      0.04137009     -1.01302263
+H      2.67366368      1.38650891      1.75020773
+H      3.59528725      1.97590523      0.33292316
+H      3.92178313     -0.06949538      3.36690654
+H      5.38109453      0.84826574      2.92245850
+H      5.40041156     -0.92916706      2.87286236
+H      5.19389501      0.05955457     -0.78256759
+H      6.15147648     -0.85227656      0.40636484
+H      6.13054704      0.92812768      0.45460717
+H      3.63941519     -1.94831652      0.22139636
+H      2.70539015     -1.46116344      1.66904561 
+
+21
+-2086.5868829166616 12.698529 14.18691 -10.9233 -8.4729 -12.026 0.9484 0.0645 3.055 11.83288 -2.78322 10.1994851152 11.0042658426 0.20083105
+C      0.94786993      0.02403151     -0.03668163
+C      2.47272429      0.02460524      0.04878121
+C      3.07067220      1.14121771      0.92449821
+C      4.50787191      0.66845869      1.16810535
+C      4.38473129     -0.85936467      1.39612871
+C      5.62248378     -1.64319692      0.95684700
+C      3.07644097     -1.26962604      0.65064801
+H      0.57861006     -0.80342781     -0.66138970
+H      0.56638879      0.96207196     -0.46802113
+H      0.50341872     -0.09046256      0.96554412
+H      2.87944230      0.15321385     -0.97156344
+H      2.51829224      1.19778865      1.88012701
+H      3.00962470      2.13347225      0.45162639
+H      5.11773768      0.85925640      0.26707259
+H      5.00315096      1.17985890      2.00720168
+H      4.23705157     -1.03188029      2.47607708
+H      5.80259375     -1.51251735     -0.12277026
+H      5.50743504     -2.72071714      1.14906397
+H      6.52458237     -1.30410690      1.48923136
+H      3.27171790     -2.02381486     -0.12795775
+H      2.35925953     -1.72317059      1.35452123 
+
+21
+-2067.4603058615066 12.960052 14.85826 -9.7452 -7.58 -10.942 0.9742 0.1203 3.133 10.54881 -2.87119 9.0159891508 10.9429795628 0.230449926
+C      2.03033563     -0.93028174     -0.97443599
+C      2.03357497      0.23601110      0.01903165
+C      3.27523262      1.09875841     -0.08068513
+C      3.36062712      2.20105187     -1.11688802
+C      3.26717724      2.54609751      0.35335489
+C      4.45235584      3.14170597      1.08569858
+C      4.41234811      2.89070899      2.59629449
+H      1.11634004     -1.53472686     -0.88200766
+H      2.88981617     -1.59687352     -0.80463114
+H      2.09327208     -0.56647454     -2.01104122
+H      1.94163318     -0.15439044      1.04745499
+H      1.14464189      0.86822738     -0.14836062
+H      4.21354519      0.56439544      0.10735037
+H      2.48397830      2.37657216     -1.74397947
+H      4.31573989      2.36950945     -1.61815827
+H      2.29365002      2.92467422      0.68447609
+H      4.49456700      4.22751886      0.89116986
+H      5.38104486      2.72075967      0.66332252
+H      3.50800550      3.32819441      3.04627671
+H      5.28314476      3.33370351      3.10114343
+H      4.40413959      1.81292816      2.81788394 
+
+21
+-2067.806104321463 12.969851 14.65914 -9.5015 -7.3656 -10.626 0.9096 0.0352 3.03 10.22823 -2.69731 8.5925893594 10.4512262896 0.201341862
+C      2.83786567     -1.03391841     -0.41995620
+C      2.34820730      0.24247062      0.27349795
+C      3.38376249      1.34864865      0.24181430
+C      3.50370632      2.27508815     -0.95468031
+C      3.06296624      2.82721675      0.38724028
+C      1.62708276      3.29106783      0.55020983
+C      4.06430878      3.67297830      1.15367252
+H      2.07538835     -1.82577640     -0.38846661
+H      3.74618914     -1.42485295      0.06375463
+H      3.08253958     -0.83928478     -1.47505823
+H      2.08430676      0.01334181      1.32097226
+H      1.41768325      0.58159845     -0.20889057
+H      4.33909399      1.05593996      0.69318894
+H      2.74256615      2.17784396     -1.73306715
+H      4.49707331      2.53546190     -1.32526227
+H      0.92238408      2.69657785     -0.04590805
+H      1.52640770      4.34032606      0.22924787
+H      1.30852068      3.23509856      1.60390564
+H      5.09225314      3.31136328      1.00522925
+H      3.85372794      3.65394061      2.23540283
+H      4.02714638      4.72434980      0.82450309 
+
+21
+-2069.3986924386622 12.853748 14.52048 -10.2567 -8.0482 -11.51 0.9638 0.1138 2.97 11.22292 -2.70911 9.7646042202 9.7646042202 0.12446884
+C      2.25085889     -0.48910670     -1.53405546
+C      2.44122059      0.01471958     -0.09986978
+C      3.21391210      1.32475814     -0.02053790
+C      2.56564090      2.63591451     -0.55049091
+C      3.24362805      3.39201071      0.62259639
+C      3.39929776      2.03077992      1.35696358
+C      4.65010694      1.75850955      2.17709744
+H      1.68735901     -1.43311942     -1.55910416
+H      3.22073062     -0.66568346     -2.02466245
+H      1.70024267      0.24348532     -2.14373576
+H      2.96585670     -0.75400395      0.49457217
+H      1.45476470      0.15310259      0.37831570
+H      4.20839280      1.19819424     -0.48842200
+H      1.47054025      2.60785254     -0.43050426
+H      2.79982802      2.95586244     -1.57516165
+H      4.22640383      3.79200635      0.32656682
+H      2.67634414      4.18879091      1.12409816
+H      2.49855088      1.84692021      1.97013488
+H      5.55780544      1.93518347      1.57810342
+H      4.68085426      0.71708063      2.53388317
+H      4.70163145      2.41195239      3.06196258 
+
+21
+-2067.161434944962 12.852317 14.48843 -9.4851 -7.3529 -10.633 0.9104 0.0266 2.975 10.23135 -2.61235 8.5639857892 10.5283455816 0.204295846
+C      2.22111479     -1.08182927     -0.73972198
+C      1.90590309      0.28573560     -0.12348513
+C      3.13221777      1.14498528      0.17224600
+C      4.06051030      0.58048809      1.23270719
+C      3.73975538      1.89951221     -0.99664808
+C      2.94640821      2.65037229      0.05514090
+C      3.60669715      3.65820099      0.97030589
+H      1.29680634     -1.62854392     -0.97604143
+H      2.81000971     -1.71333182     -0.05883445
+H      2.79483433     -0.97112284     -1.67257036
+H      1.33397638      0.14650446      0.81185266
+H      1.24259652      0.84284107     -0.80637338
+H      4.92722356      1.22942928      1.41294299
+H      4.45196363     -0.40346931      0.93304116
+H      3.53192329      0.45215037      2.19168042
+H      3.30177163      1.76691966     -1.98818220
+H      4.82314912      2.04091136     -0.99841712
+H      1.93915475      2.94365478     -0.25874549
+H      4.63340322      3.36993581      1.23396191
+H      3.04292968      3.78213576      1.90821258
+H      3.66209114      4.64378015      0.48300792 
+
+21
+-2067.540098106723 12.928063 14.77641 -9.597 -7.413 -10.798 0.951 0.0908 3.18 10.41224 -2.84733 8.8580681826 11.9734148102 0.217161704
+C      2.91674334     -1.09007995     -0.66947840
+C      2.38699616      0.14669215      0.06479646
+C      3.37566966      1.29559790      0.08228308
+C      3.49829234      2.30507962     -1.05221393
+C      2.63286147      2.26478879     -2.29309918
+C      2.93675559      2.72941629      0.28861810
+C      3.70035201      3.66227457      1.20156524
+H      2.19185967     -1.91667009     -0.64015123
+H      3.85182217     -1.44975414     -0.21314844
+H      3.13025199     -0.86377883     -1.72461909
+H      2.13775974     -0.12283530      1.10607345
+H      1.43868994      0.47139980     -0.39306216
+H      4.33000115      1.03867554      0.55740543
+H      4.52279989      2.64328868     -1.24108921
+H      1.60988581      1.92934811     -2.07157349
+H      3.04733869      1.58719828     -3.05597944
+H      2.55562583      3.26553648     -2.74580540
+H      1.84969568      2.87122775      0.29625645
+H      4.78229774      3.46841572      1.14455603
+H      3.39616286      3.53787996      2.25272795
+H      3.53758826      4.71678868      0.92842776 
+
+21
+-2085.4573274096397 12.644969 14.16224 -10.958 -8.632 -12.235 0.9427 0.0468 3.058 12.03116 -2.7507 10.3823024722 10.8650047674 0.202967241
+C      2.08613916     -0.34554363     -1.52659514
+C      2.41888911      0.06024502     -0.08808865
+C      3.11555510      1.41807336      0.03582820
+C      2.28833305      2.63054873     -0.42988382
+C      3.03857424      3.84398927      0.14951588
+C      3.67855738      3.34092448      1.47657338
+C      3.48199435      1.80287638      1.48386043
+H      1.62939849     -1.34503429     -1.56534211
+H      2.99245899     -0.36940710     -2.15202434
+H      1.38060193      0.35834472     -1.99249152
+H      3.05906644     -0.71366217      0.36970155
+H      1.49240668      0.08441471      0.51452497
+H      4.04624927      1.38940723     -0.56526520
+H      1.27406408      2.56017410      0.00421779
+H      2.17337937      2.68750121     -1.52218101
+H      3.82520108      4.16258826     -0.55243942
+H      2.37954828      4.71115743      0.30056950
+H      4.74496068      3.60710380      1.51916671
+H      3.20602066      3.80419459      2.35494426
+H      4.36653396      1.26132833      1.85115893
+H      2.64217770      1.52964557      2.14598960 
+
+21
+-2067.672100602176 12.69015 14.06926 -10.2072 -8.0221 -11.553 0.9235 0.0279 2.889 11.30011 -2.54962 9.658695379 9.7179358898 0.145260542
+C      1.85516750     -0.59583289     -1.36056549
+C      2.35875522     -0.03983799     -0.02528558
+C      3.19976653      1.23801076     -0.12828598
+C      4.50060665      1.01517337     -0.90528951
+C      2.45067025      2.52808921     -0.60807153
+C      3.11871396      3.32144517      0.54592549
+C      3.47018609      1.97260955      1.22696052
+H      1.20290894     -1.46632442     -1.20060067
+H      2.68064363     -0.91985102     -2.01047287
+H      1.27177989      0.15788018     -1.91154974
+H      2.95054937     -0.81209230      0.49859607
+H      1.49183454      0.17317751      0.62387407
+H      5.10881240      1.93172405     -0.93481185
+H      4.30635019      0.71693986     -1.94636105
+H      5.10787812      0.22697338     -0.43221820
+H      1.36272599      2.43868586     -0.46496841
+H      2.64242811      2.86642535     -1.63697655
+H      4.01357823      3.86595177      0.21337477
+H      2.48280453      4.01718146      1.10975273
+H      4.47590411      1.86406780      1.65941397
+H      2.72745573      1.69308331      1.98977979 
+
+21
+-2066.502220178215 12.731516 14.28661 -9.7138 -7.5597 -10.884 0.9365 0.0504 2.936 10.49563 -2.5699 8.7484025656 10.6281047172 0.205806057
+C      2.10446385     -1.33206390     -0.20864650
+C      1.79650572      0.14841319      0.03856158
+C      3.03096092      1.01692375      0.25602303
+C      3.90758501      0.68069126      1.45784081
+C      3.19553529      0.80207188      2.80901465
+C      3.72987214      1.53430951     -0.98314682
+C      2.91923881      2.47924413     -0.11968462
+H      1.18338709     -1.89580852     -0.41504062
+H      2.58734125     -1.80030077      0.66193153
+H      2.77775825     -1.45790180     -1.07018804
+H      1.12000612      0.24650081      0.90520570
+H      1.23831432      0.55139939     -0.82309105
+H      4.78083830      1.35395887      1.44647773
+H      4.31486832     -0.33869153      1.34364353
+H      2.77038154      1.80829350      2.94320777
+H      3.89291384      0.61729496      3.63872832
+H      2.37302353      0.07806000      2.90462630
+H      3.31994876      1.25587165     -1.95588316
+H      4.81722934      1.62763208     -0.96197376
+H      3.46256281      3.20645108      0.48676474
+H      1.96685479      2.84064047     -0.51183112 
+
+21
+-2068.3248547196954 12.818148 14.45367 -10.2375 -7.9784 -11.474 0.9484 0.0827 3.025 11.21789 -2.77199 9.7634759476 10.4757135246 0.148686997
+C      2.19195203     -0.55236950     -1.46450787
+C      2.40670294      0.00126074     -0.05359536
+C      3.27137034      1.25514548     -0.02325133
+C      2.69867164      2.57731934     -0.61657911
+C      3.30241456      3.35793580      0.59045521
+C      4.62097066      4.06144827      0.28451437
+C      3.46234293      1.99576167      1.33077213
+H      1.55587344     -1.44924296     -1.45434846
+H      3.15000636     -0.82722414     -1.93261680
+H      1.70767338      0.19213040     -2.11479890
+H      2.87096577     -0.77257750      0.58280803
+H      1.42972615      0.23228248      0.40811847
+H      4.25179126      1.03073638     -0.47719494
+H      1.59721255      2.57934253     -0.59855789
+H      3.03399506      2.87821426     -1.62041135
+H      2.61123207      4.06645861      1.07271191
+H      5.33778621      3.37939497     -0.19956982
+H      5.09125086      4.43948352      1.20538176
+H      4.46735592      4.91706835     -0.39101873
+H      4.40522146      1.83081176      1.87377488
+H      2.62336440      1.79794956      2.01606378 
+
+21
+-2067.451680890395 12.982663 14.94562 -9.7713 -7.5706 -10.98 0.9894 0.1323 3.123 10.59758 -2.81784 9.0484486856 10.8017099144 0.196453617
+C      1.08554408      3.06781944     -0.94135858
+C      2.55905760      3.08003868     -0.53071950
+C      3.20613234      1.68973195     -0.56545517
+C      4.66145176      1.68974500     -0.14770813
+C      5.59820205      0.59452483     -0.61090346
+C      5.75635983      2.00288408     -1.14288001
+C      6.95219025      2.83977099     -0.74912579
+H      0.64695430      4.07536303     -0.90254933
+H      0.49251928      2.42011039     -0.27712113
+H      0.96122022      2.68940021     -1.96790148
+H      2.65580381      3.49729328      0.48657301
+H      3.12589516      3.75702811     -1.19223357
+H      3.12278846      1.27341763     -1.58567148
+H      2.63466871      1.00578383      0.08838160
+H      4.84191538      2.05972790      0.86782726
+H      5.19403299     -0.16876302     -1.27877754
+H      6.35196421      0.22965030      0.08954140
+H      5.41281479      2.15050458     -2.17220644
+H      7.23907853      2.64693183      0.29584730
+H      6.73920990      3.91607512     -0.84209182
+H      7.82644635      2.61405185     -1.37940714 
+
+21
+-2068.1666661396735 12.921534 14.68649 -9.7594 -7.5964 -10.937 0.948 0.0944 3.031 10.5437 -2.68605 8.9917374892 11.4059184896 0.150430034
+C      3.10401119     -1.10986819     -0.60733982
+C      2.44598942      0.10600385      0.05895527
+C      1.87445286     -0.25670482      1.43641533
+C      3.41827657      1.26962349      0.15946756
+C      3.65148655      2.18753073     -1.02135902
+C      2.92916382      2.69779446      0.20813160
+C      3.58192597      3.71631660      1.11457855
+H      3.49334335     -0.85569181     -1.60391946
+H      2.38923398     -1.93892377     -0.71950890
+H      3.94788485     -1.47681649     -0.00100662
+H      1.60671994      0.43360899     -0.58331573
+H      2.67592516     -0.58969987      2.11549573
+H      1.14088005     -1.07347400      1.36158895
+H      1.37797367      0.60706392      1.90220171
+H      4.30300339      1.05988900      0.77297225
+H      3.06573933      2.00925272     -1.92573174
+H      4.66450443      2.55181988     -1.20327296
+H      1.84681756      2.81693823      0.09085436
+H      4.66562222      3.53899845      1.18843227
+H      3.16772529      3.67252265      2.13386595
+H      3.43873036      4.74080599      0.73716471 
+
+21
+-2067.3349301486332 12.887376 14.6715 -10.3776 -8.1659 -11.738 0.9735 0.1044 3.013 11.47562 -2.73842 10.0257311348 10.4435143604 0.138879173
+C      1.00443598      0.21376162      0.85428215
+C      2.48419676      0.04422357      0.50443782
+C      3.28448898      1.34898669      0.59521563
+C      4.76004771      1.18150005      0.26053391
+C      5.72754949      2.38840238      0.42499706
+C      6.81477640      1.39720032      0.91988545
+C      5.68206508      0.38219147      1.22906109
+H      0.45986097     -0.73856375      0.77648110
+H      0.51509550      0.93367889      0.17990786
+H      0.87814474      0.58650714      1.88265003
+H      2.57767207     -0.36536164     -0.51657510
+H      2.93706994     -0.70595822      1.17527882
+H      3.19242240      1.76559841      1.61579499
+H      2.83835892      2.09945255     -0.08302687
+H      4.86474754      0.77017029     -0.75946003
+H      5.39082096      3.04997090      1.23916717
+H      5.94599817      3.00248114     -0.46027078
+H      7.44898090      1.05005046      0.09069646
+H      7.46335164      1.71400060      1.74826122
+H      5.86533159     -0.68106433      1.01994573
+H      5.33058425      0.48292147      2.26888629 
+
+21
+-2068.1061191976273 12.780933 14.31599 -10.2954 -8.1372 -11.705 0.9609 0.0835 2.951 11.4286 -2.63512 9.9775129794 9.9775129794 0.176472463
+C      2.31908699     -0.43601221     -1.44928608
+C      2.50340615      0.02912734      0.00033944
+C      3.20001601     -1.04632859      0.84285460
+C      3.25753976      1.35652966      0.06398293
+C      2.60878424      2.63672023     -0.54030612
+C      3.20022071      3.44707408      0.64307232
+C      3.36270407      2.11424498      1.42028842
+H      1.79759257      0.32061842     -2.05380264
+H      1.73408799     -1.36657885     -1.49717081
+H      3.29493716     -0.63050610     -1.92326152
+H      1.49962929      0.20615867      0.43329562
+H      4.20560087     -1.26144755      0.44623384
+H      2.63078420     -1.98781345      0.83591717
+H      3.31340707     -0.72956387      1.89008773
+H      4.26945819      1.22204783     -0.36097342
+H      1.50987285      2.58238308     -0.47760931
+H      2.88952924      2.93118594     -1.56112891
+H      4.17620520      3.88265658      0.38389730
+H      2.57477706      4.23053369      1.09242897
+H      4.26900051      1.97526004      2.02603232
+H      2.48179988      1.90884007      2.04980813 
+
+21
+-2067.0469769112406 12.719647 14.1904 -9.7395 -7.5785 -10.879 0.9128 0.0338 2.875 10.49285 -2.50321 8.720245345 11.0273644344 0.185805681
+C      2.71922347     -1.40637759     -0.57508629
+C      2.02504848     -0.10549208     -0.14741434
+C      0.95688124     -0.37235231      0.92260437
+C      3.02682634      0.97229293      0.28735970
+C      3.89056478      0.66362664      1.49824573
+C      3.65442263      1.80024453     -0.81302938
+C      2.60273622      2.41169341      0.09148600
+H      3.48604915     -1.21642132     -1.34055301
+H      1.99160838     -2.11855676     -0.99176349
+H      3.20844704     -1.90031809      0.27852788
+H      1.50676697      0.29915897     -1.03647309
+H      1.39449611     -0.83293488      1.82166514
+H      0.18789416     -1.06163842      0.54338859
+H      0.45791672      0.55891996      1.22878724
+H      4.56076599      1.50686892      1.71860846
+H      4.52171299     -0.22296396      1.33249755
+H      3.28188211      0.48410354      2.39775859
+H      3.37092438      1.58254766     -1.84465551
+H      4.68888852      2.12483645     -0.68827304
+H      2.92628925      3.14961264      0.82755368
+H      1.61624507      2.60262977     -0.33560479 
+
+21
+-2067.0085722652443 12.871363 14.5744 -9.7192 -7.5345 -10.881 0.9325 0.0565 2.962 10.51207 -2.6177 8.784222121 10.7351914254 0.202327988
+C      0.94365402      2.82315437     -0.57045467
+C      2.41453875      2.88040661     -0.15262672
+C      3.13320497      1.53584640     -0.32378941
+C      4.61263333      1.54927898      0.03978207
+C      4.93341929      1.82840885      1.49703397
+C      5.51382145      0.57862341     -0.69261097
+C      5.58366133      2.05987547     -1.00410828
+H      0.44898636      3.79592180     -0.43662282
+H      0.38882358      2.08241217      0.02614848
+H      0.84005311      2.53852199     -1.62899144
+H      2.48032788      3.20695895      0.89831298
+H      2.94105262      3.64745505     -0.74594955
+H      3.02862187      1.20857066     -1.37320005
+H      2.62079488      0.76891349      0.28653084
+H      6.01569205      1.76682902      1.68087459
+H      4.43989351      1.09546498      2.15565978
+H      4.60340085      2.83276225      1.80322051
+H      5.06260475     -0.07852448     -1.43820282
+H      6.34305399      0.13311194     -0.14035491
+H      6.46104044      2.61293711     -0.66452230
+H      5.17968098      2.39807098     -1.96012928 
+
+21
+-2065.843959827148 12.972426 15.01743 -10.0118 -7.7985 -11.325 0.9961 0.1223 3.068 10.97879 -2.7976 9.3916171364 11.7584354848 0.243027049
+C      1.07870969      0.95292059      1.13353400
+C      2.15663648      1.29615185      0.10342764
+C      3.25001216      2.21508843      0.65593436
+C      4.33790824      2.55719924     -0.36896814
+C      5.42218155      3.46122709      0.17885921
+C      6.23720702      4.33054462     -0.74889846
+C      5.23012414      4.96078810      0.18831159
+H      0.31057709      0.28999299      0.70962324
+H      0.57295090      1.86069894      1.49733868
+H      1.51303651      0.44419041      2.00806904
+H      1.68893085      1.77606356     -0.77397451
+H      2.61919164      0.36599110     -0.27046721
+H      3.71678132      1.73608476      1.53555851
+H      2.79327169      3.15000288      1.02604073
+H      3.87460969      3.04355776     -1.24627338
+H      4.79362251      1.62284676     -0.74356627
+H      5.96355935      3.05143529      1.03744581
+H      5.99019082      4.30129733     -1.81184971
+H      7.29773224      4.46927117     -0.53590130
+H      5.60371391      5.53149317      1.03920966
+H      4.30925220      5.35233396     -0.24879352 
+
+21
+-2065.677151954105 12.843206 14.51647 -9.9776 -7.7714 -11.297 0.9704 0.1044 3.005 10.95316 -2.7008 9.3285082624 11.7321380542 0.236125126
+C      1.25039348     -0.50477640     -0.25748648
+C      2.78117877     -0.42646059     -0.30246492
+C      3.30225713     -0.75479083     -1.70701080
+C      3.26432954      0.94755366      0.20225121
+C      4.76502775      1.08308874      0.36771169
+C      5.63432578      1.63385856     -0.74103847
+C      5.38943121      2.45245945      0.50584850
+H      0.86643208     -0.31048621      0.75540088
+H      0.89163813     -1.49666767     -0.57057609
+H      0.80061294      0.24015007     -0.93433435
+H      3.17889364     -1.18979446      0.39321200
+H      2.93616959     -0.01732602     -2.44065881
+H      2.95488539     -1.74688182     -2.03257848
+H      4.40002376     -0.74952194     -1.74585459
+H      2.78077028      1.14891312      1.17498924
+H      2.90260231      1.73368504     -0.48698174
+H      5.22357256      0.29808391      0.97808670
+H      5.13850204      1.95144971     -1.65993093
+H      6.62600618      1.20430564     -0.88899106
+H      6.21232227      2.58105021      1.20967690
+H      4.72723517      3.31634784      0.42252959 
+
+21
+-2065.383730831352 12.716262 14.14349 -10.0007 -7.845 -11.259 0.9236 0.0376 2.809 10.90273 -2.42127 9.161697498 10.4554542122 0.16654622
+C      1.16237041      0.28513698      0.11537699
+C      2.66347908     -0.04234053     -0.00331541
+C      3.07830366     -0.92107043      1.18859056
+C      2.91876519     -0.81641511     -1.31112155
+C      3.43832426      1.28161502     -0.07264826
+C      3.88403108      2.06664567      1.13837283
+C      4.91065456      1.41224000      0.23651621
+H      0.82221108      0.89215099     -0.73784982
+H      0.95530043      0.85127507      1.03593811
+H      0.55779013     -0.63487036      0.13628657
+H      2.88181716     -0.42671482      2.15124854
+H      4.14343400     -1.19308475      1.15004703
+H      2.50145615     -1.85795639      1.17833532
+H      2.61559853     -0.22226693     -2.18702454
+H      2.35012674     -1.75910032     -1.33000037
+H      3.98639078     -1.05865941     -1.42174103
+H      3.10149213      1.90364308     -0.90916099
+H      3.73973492      1.62676075      2.12586448
+H      3.78638963      3.15256676      1.11320630
+H      5.51783511      2.04831326     -0.40860570
+H      5.43796498      0.54345147      0.63289473 
+
+21
+-2065.442914246442 12.766722 14.36945 -9.9726 -7.8231 -11.291 0.9777 0.1337 2.974 10.92215 -2.62907 9.282459862 11.7206817478 0.187815723
+C      2.97533679     -0.82559918     -1.12656763
+C      2.53289907      0.00112867      0.08264994
+C      3.10694023      1.43016635      0.15021458
+C      2.47401121      2.20464396      1.31542566
+C      4.62427885      1.44371276      0.26151681
+C      5.51194035      1.46009137     -0.96220817
+C      5.40262858      2.69066008     -0.09143057
+H      2.48843485     -1.81156987     -1.12652867
+H      4.06195325     -0.98818759     -1.13213152
+H      2.70871251     -0.32446202     -2.07038505
+H      2.80611046     -0.52959175      1.01274257
+H      1.43174368      0.07222053      0.08995515
+H      2.83931884      1.94761319     -0.79190854
+H      2.70707684      1.72080401      2.27761364
+H      1.37865066      2.24468449      1.21928394
+H      2.85219090      3.23590166      1.36108393
+H      5.01081938      0.87847403      1.11716555
+H      5.02526560      1.48991093     -1.93863103
+H      6.44186385      0.89036648     -0.93947303
+H      6.25735374      2.96594292      0.52715267
+H      4.84041034      3.53892898     -0.48729022 
+
+23
+-2212.566285595354 13.696272 16.03747 -10.8037 -8.6033 -12.405 0.9829 0.0872 3.033 12.24472 -2.82001 10.4841569712 10.949017681 0.380683578
+C      0.91177971     -0.08002642     -0.01170525
+C      2.44054968     -0.03194255      0.01802559
+C      3.00212820      1.39296795     -0.00670228
+C      4.53201150      1.45119520      0.01194920
+C      5.09549464      2.87482432      0.00151918
+C      6.62622463      2.93043129      0.00691755
+C      7.17949816      4.35670187      0.00847584
+H      0.53887610     -1.11425409      0.01103750
+H      0.51650305      0.39700261     -0.92198752
+H      0.48007088      0.44917195      0.85200087
+H      2.84435650     -0.59560338     -0.84114563
+H      2.80892741     -0.55047416      0.92045247
+H      2.60372747      1.95505802      0.85765676
+H      2.62736768      1.91560507     -0.90569305
+H      4.92762753      0.89648693     -0.85832622
+H      4.90595649      0.91866587      0.90534128
+H      4.70885587      3.42733578      0.87732077
+H      4.71593769      3.41245819     -0.88655242
+H      7.01132267      2.38579817     -0.87286370
+H      7.00549018      2.38651091      0.88967378
+H      6.84218077      4.91546347     -0.87833206
+H      8.27910488      4.36430532      0.00846876
+H      6.84222830      4.91312768      0.89676857 
+
+23
+-2210.210354764843 13.273958 14.6211 -10.7032 -8.4627 -12.136 0.8749 -0.0241 2.757 11.82649 -2.39692 10.1362522552 10.4446550316 0.151224852
+C      0.96639710     -0.09430204     -0.01604041
+C      2.49938521      0.01571419     -0.05039310
+C      3.04171652     -0.83717472     -1.20880091
+C      3.03080371      1.49174245     -0.04497237
+C      2.58818170      2.27257586     -1.29675280
+C      2.51089148      2.22646690      1.20720969
+C      4.57160431      1.48918483      0.01850776
+H      0.52598841      0.40809514      0.85573116
+H      0.66665355     -1.15199884      0.02984790
+H      0.50848261      0.33190715     -0.92228663
+H      2.87873241     -0.43226413      0.88862796
+H      2.70826173     -0.45391461     -2.18580702
+H      2.66854358     -1.86867346     -1.12249443
+H      4.13888177     -0.88656948     -1.21958822
+H      2.96601628      1.81261244     -2.22175893
+H      2.97921839      3.30106991     -1.25835336
+H      1.49285665      2.34099901     -1.37121953
+H      2.75825452      1.67202732      2.12665469
+H      1.42162607      2.37154085      1.18024167
+H      2.97265927      3.22298904      1.28340992
+H      4.93494403      0.89270827      0.87066758
+H      4.94933072      2.51568145      0.14384530
+H      5.02342998      1.08360246     -0.89779593 
+
+23
+-2212.415856790837 13.463368 15.11498 -10.8386 -8.5583 -12.191 0.8813 0. 2.966 11.97271 -2.69454 10.3647088588 10.7042817156 0.217612744
+C      1.99556651     -1.25035467      0.35694458
+C      3.41321364     -0.86468822     -0.08513056
+C      3.66158621     -1.29913347     -1.53538757
+C      3.63694348      0.64418147      0.12716815
+C      5.03162356      1.20806985     -0.20264363
+C      5.04382307      2.72811331      0.00561053
+C      6.14463313      0.54338947      0.61773207
+H      1.81137786     -0.96811353      1.40451739
+H      1.82761041     -2.33375886      0.26414902
+H      1.24004893     -0.74108081     -0.26356935
+H      4.12178299     -1.41397973      0.56083433
+H      2.99623937     -0.75480847     -2.22591592
+H      3.46443731     -2.37422521     -1.66209974
+H      4.69758255     -1.11344744     -1.85340057
+H      3.40917731      0.88514811      1.18254319
+H      2.88818136      1.19126344     -0.47601082
+H      5.23753348      1.01921999     -1.27174845
+H      4.85641088      2.97984747      1.06235372
+H      4.26668769      3.22172510     -0.59723068
+H      6.01520252      3.16309980     -0.27332376
+H      5.96861714      0.67943194      1.69767975
+H      7.12382087      0.98660789      0.38211470
+H      6.21552972     -0.53655745      0.42397362 
+
+23
+-2210.6884564119046 13.273326 14.73059 -10.7616 -8.467 -12.188 0.8891 -0.0105 2.816 11.91335 -2.46206 10.2850230566 10.2850230566 0.154547741
+C      2.63738063     -0.83741102     -1.20144887
+C      2.26463698      0.10555780     -0.05344892
+C      2.91447073      1.51419638     -0.07113291
+C      2.46995674      2.28677340     -1.32740667
+C      2.42183931      2.28352459      1.16895613
+C      4.46385726      1.44025254     -0.07462617
+C      5.11909217      0.71228434      1.10296962
+H      2.10529197     -1.79445772     -1.09955775
+H      3.71397818     -1.06344292     -1.21782352
+H      2.36916522     -0.41917127     -2.18266115
+H      2.50649295     -0.38248261      0.90601585
+H      1.16923293      0.24588015     -0.04531721
+H      2.85474003      1.82639927     -2.24954279
+H      2.83998112      3.32340910     -1.29708436
+H      1.37144739      2.32464709     -1.39936072
+H      2.65127623      1.74698193      2.10155640
+H      1.33064435      2.42570823      1.12995622
+H      2.88817163      3.27977658      1.22654702
+H      4.84652813      2.47544193     -0.11435622
+H      4.79072786      0.96864046     -1.01692124
+H      4.89050486      1.19481549      2.06448603
+H      6.21321249      0.71026486      0.99188213
+H      4.79679084     -0.33746859      1.17134910 
+
+23
+-2210.298273818318 13.29761 14.85071 -10.7715 -8.4344 -12.05 0.8805 0.0002 2.913 11.81554 -2.58814 10.1991627516 10.595099644 0.190607859
+C      2.85777353     -0.89738015     -1.09005787
+C      2.47470418     -0.04987027      0.12581960
+C      3.09143330      1.36323880      0.16930630
+C      2.50461113      2.14952694      1.35103706
+C      4.64560808      1.36296910      0.13723341
+C      5.21760401      2.78247154      0.00717214
+C      5.29094284      0.63197577      1.32334661
+H      2.29328143     -1.84113511     -1.10361881
+H      3.92651520     -1.15685472     -1.09819259
+H      2.63763093     -0.36602296     -2.02955979
+H      2.73080592     -0.59172168      1.05315655
+H      1.37752420      0.06600035      0.14695579
+H      2.77262349      1.87740182     -0.75889726
+H      2.77100055      1.69092945      2.31597575
+H      1.40612497      2.16581153      1.29081719
+H      2.84802817      3.19328893      1.36705096
+H      4.93614262      0.82077223     -0.78035067
+H      5.06833951      3.36770317      0.92758622
+H      4.74683232      3.33283092     -0.82208791
+H      6.30063873      2.74837163     -0.18453838
+H      5.04573064      1.11803016      2.28044537
+H      6.38703028      0.63927873      1.22653908
+H      4.97361397     -0.41893619      1.38815124 
+
+23
+-2209.9237653086034 13.286113 14.97098 -10.8807 -8.5246 -12.256 0.9031 -0.0029 2.962 12.01348 -2.64666 10.2996286074 10.5181911282 0.163403773
+C      0.99857571     -0.85938193      1.29276621
+C      2.32228885     -0.38365642      1.89694730
+C      2.75555403      1.03888644      1.48892586
+C      1.68725363      2.11288951      1.79005111
+C      1.32564707      2.29112438      3.26840369
+C      4.13361448      1.35990387      2.10141726
+C      4.73579578      2.70263947      1.67972600
+H      0.81920760     -1.91965594      1.52289609
+H      0.99865073     -0.75256450      0.19638453
+H      0.13977051     -0.29160806      1.68051602
+H      3.12543312     -1.07872765      1.59731026
+H      2.27009187     -0.44964410      2.99799802
+H      2.88587560      1.03274276      0.38829342
+H      0.77495998      1.86989629      1.22132892
+H      2.03324295      3.07693757      1.38299037
+H      0.91977957      1.36686023      3.70661134
+H      0.56185349      3.07295262      3.38920149
+H      2.19615270      2.58810738      3.87242373
+H      4.82627113      0.54960089      1.81563815
+H      4.06526317      1.31510776      3.20263510
+H      4.77250633      2.79605720      0.58274469
+H      5.76350138      2.80917994      2.05632344
+H      4.15720031      3.55497229      2.06542700 
+
+23
+-2211.3682105909184 13.486362 15.31873 -10.8203 -8.5461 -12.253 0.933 0.072 2.989 12.05653 -2.69474 10.4430432136 10.635705059 0.213157407
+C      0.97130849     -0.14051145     -0.13247997
+C      2.50130056     -0.11617626     -0.14946894
+C      3.06759390      1.30585210     -0.23708957
+C      4.59987954      1.41353452     -0.13505466
+C      5.30457603      0.67913548     -1.28356441
+C      5.07167696      2.88009827     -0.08311382
+C      4.61052948      3.67481557      1.14128946
+H      0.58249553     -1.16794030     -0.08262996
+H      0.55744935      0.32929228     -1.03845941
+H      0.57456110      0.41007710      0.73476082
+H      2.86305837     -0.72134351     -0.99651598
+H      2.88846612     -0.60351471      0.76297484
+H      2.60864733      1.90436868      0.56801369
+H      2.74041682      1.77107487     -1.18681310
+H      4.90555283      0.93344656      0.81590336
+H      5.01627971      1.11086761     -2.25619677
+H      5.05697683     -0.39095612     -1.30644692
+H      6.39781496      0.76406145     -1.19311330
+H      4.74009933      3.39181722     -1.00520882
+H      6.17469146      2.88657808     -0.11567766
+H      3.51789524      3.79111210      1.17537748
+H      5.04463509      4.68507182      1.14017270
+H      4.92216496      3.18062866      2.07507093 
+
+23
+-2212.1790412239966 13.453524 15.06399 -10.7972 -8.5798 -12.267 0.8732 -0.0214 2.846 11.99486 -2.50879 10.4200190134 10.4278549286 0.196198757
+C      1.59862486      0.63687121      1.51343028
+C      2.96574941      1.32413949      1.45197304
+C      3.72852926      0.98823337      0.16533917
+C      5.13297048      1.61988164     -0.01858190
+C      6.09061638      1.16473022      1.09846934
+C      5.69055598      1.14514928     -1.37288932
+C      5.04691437      3.15756294     -0.02969856
+H      1.06255239      0.88834529      2.44024743
+H      1.70030697     -0.45900911      1.47409618
+H      0.96139299      0.93877099      0.66747627
+H      3.55885946      1.02441350      2.33190403
+H      2.82388175      2.41466533      1.53260170
+H      3.10601401      1.28296583     -0.69988578
+H      3.83717745     -0.11021192      0.09698322
+H      5.76954038      1.52493782      2.08679565
+H      7.10616809      1.55105820      0.92029550
+H      6.15355704      0.06577900      1.14200827
+H      5.03696406      1.45732598     -2.20244632
+H      5.77366542      0.04747246     -1.40502006
+H      6.69202347      1.56431222     -1.55696162
+H      4.34785046      3.50904204     -0.80516430
+H      6.03252504      3.59979530     -0.24262360
+H      4.70836030      3.55684891      0.93756139 
+
+23
+-2212.480433760903 13.58462 15.56458 -10.8267 -8.5923 -12.308 0.9378 0.0602 2.999 12.10142 -2.74189 10.4509411218 10.8196134928 0.25914034
+C      2.21501823     -0.51584205     -1.14845208
+C      3.39423701      0.26148911     -0.56102568
+C      3.10978748      1.75692884     -0.38686093
+C      4.27947070      2.52252539      0.23982966
+C      4.10254219      4.04895698      0.33110332
+C      2.91109590      4.45470915      1.20805063
+C      5.39057899      4.70790055      0.84038810
+H      2.45444657     -1.58227530     -1.26908668
+H      1.93213589     -0.12303577     -2.13730246
+H      1.32914307     -0.44406448     -0.49861754
+H      4.27995221      0.13521313     -1.20773413
+H      3.66904003     -0.16968956      0.41734319
+H      2.20370981      1.87641523      0.23150221
+H      2.86916234      2.19711024     -1.37199946
+H      5.19189402      2.31384819     -0.34718532
+H      4.47366680      2.12483210      1.25382571
+H      3.91242528      4.42172329     -0.69338604
+H      3.04374009      4.08693858      2.23897000
+H      1.95982181      4.05633568      0.82831782
+H      2.81560671      5.54985655      1.25607766
+H      5.61977615      4.37312857      1.86532595
+H      5.29808794      5.80411304      0.86159056
+H      6.25197079      4.45257252      0.20508553 
+
+15
+-1655.7217953536174 11.111437 11.68245 -8.6079 -6.4593 -7.817 1.0967 -0.462 0.882 7.52484 -0.5537 4.2139245806 11.2392813056 0.378640694
+C     -0.00642944      0.02831186     -1.39766489
+C      0.03254842     -1.11782889     -0.34073443
+C      1.27013610     -0.64969989      0.45293456
+C      1.23580078      0.69053480      0.48175064
+C     -0.02504107      1.12837943     -0.29239046
+C     -1.24767936      0.62644331      0.50375471
+C     -1.21330239     -0.71380026      0.47496691
+H      0.89474106      0.06493880     -2.02671247
+H     -0.91926012      0.01810134     -2.01067495
+H      0.05596715     -2.15102484     -0.70637077
+H      1.98039041     -1.31589281      0.93956644
+H      1.91157104      1.37064477      0.99736802
+H     -0.05489829      2.17619081     -0.61323246
+H     -1.94833787      1.27103726      1.03162241
+H     -1.87946644     -1.41551570      0.97385672 
+
+15
+-1667.4726038670158 11.8264 11.98773 -7.9275 -5.9988 -7.874 0.7254 -0.7717 0.479 7.48856 0.09625 4.2918869774 11.312730612 0.525606948
+C     -1.43866628      0.81636873      0.54816519
+C     -1.18032996     -0.43599840     -0.24745121
+C     -0.24711131     -1.45059532      0.24921440
+C      1.04073387     -1.15401023      0.56706675
+C      1.63089005      0.11793233      0.20364903
+C      0.91804034      1.06011200     -0.46845380
+C     -0.53285685      0.95905718     -0.64666849
+H     -2.43326214      1.25354871      0.46311150
+H     -0.97484052      0.88323834      1.53304406
+H     -2.01076084     -0.78843051     -0.86341469
+H     -0.60788576     -2.47891359      0.32344992
+H      1.69055868     -1.93112680      0.97417235
+H      2.70416972      0.25387277      0.35029615
+H      1.42813569      1.90860280     -0.93006116
+H     -0.96116469      1.47243200     -1.51054001 
+
+17
+-1798.0256215486704 11.896706 12.8433 -8.9838 -6.7414 -8.914 0.9693 0.124 1.458 8.43724 -0.79837 6.1225650646 11.2683312254 0.306307687
+C      0.65267966     -0.09963075      0.16475387
+C      2.06358894      0.38128988     -0.09391273
+C      0.90127099      1.33854181     -0.21907324
+C      0.71593195      2.47519597      0.80536907
+C      0.31693922      3.65259432     -0.04597157
+C      0.18996121      3.32912832     -1.34064609
+C      0.47969650      1.87373239     -1.60172615
+H      0.36439034     -0.31031394      1.19658321
+H      0.19028311     -0.75362002     -0.57730907
+H      2.55605537      0.05358652     -1.01176527
+H      2.73030172      0.49715729      0.76307444
+H      1.63992793      2.67440874      1.37647850
+H     -0.06506345      2.23825409      1.55093164
+H      0.14417435      4.64714132      0.36898745
+H     -0.10117668      4.02231914     -2.13176867
+H     -0.41306395      1.35267047     -1.99343632
+H      1.27327281      1.74108443     -2.35818907 
+
+17
+-1809.1748276855474 11.506635 12.20728 -8.9117 -6.788 -8.538 0.9599 0.0862 1.39 8.02248 -0.74724 5.6293859524 5.6293859524 0.217744474
+C      0.41144683      1.42685273      0.77172408
+C      1.37451560      0.46195148      0.01772446
+C      0.39750033     -0.37799576     -0.87791570
+C     -0.63681661      0.70751375     -1.25530078
+C     -0.99801915      1.01952246      0.21533024
+C     -1.25882229     -0.38436482      0.73649319
+C     -0.42648109     -1.21795531      0.08432928
+H      0.62724413      2.47771137      0.52676671
+H      0.46458722      1.31895619      1.86348853
+H      1.95704379     -0.17762221      0.69449981
+H      2.08413275      1.01863931     -0.61267646
+H      0.88638526     -0.91566082     -1.69987265
+H     -0.19599593      1.56467075     -1.78829362
+H     -1.48620976      0.30423167     -1.82419238
+H     -1.78669526      1.76095622      0.39407456
+H     -1.90551446     -0.62582224      1.58057077
+H     -0.25817136     -2.27551477      0.28984996 
+
+17
+-1802.9730070044302 11.759678 12.53496 -8.5993 -6.4767 -8.701 1.0107 -0.0133 1.4 8.21929 -0.75936 5.896712167 5.896712167 0.288838116
+C      0.87097781     -1.21311356      0.87615940
+C      1.14551040     -0.41655208     -0.36991128
+C      0.98022281      1.09078127     -0.43375821
+C     -0.23291416      1.61787550      0.35769289
+C     -1.46821178      0.78418443      0.13786998
+C     -1.40349941     -0.52525090     -0.16207137
+C     -0.11980483     -1.25635299     -0.28739986
+H      1.47460041     -2.10260278      1.06123531
+H      0.54000097     -0.69141633      1.77542457
+H      1.92935056     -0.81348202     -1.02040624
+H      1.89720759      1.59104725     -0.08311602
+H      0.85340366      1.36898486     -1.49383105
+H      0.00976579      1.64802776      1.43539500
+H     -0.42560289      2.66523021      0.07589006
+H     -2.44206607      1.26906447      0.24194358
+H     -2.32449463     -1.09508479     -0.31275817
+H     -0.14779624     -2.18591030     -0.85949860 
+
+17
+-1801.262243017778 11.747518 12.43137 -9.0033 -6.8025 -8.891 1.0086 0.0919 1.457 8.39552 -0.80696 6.08585281 6.08585281 0.299455069
+C      1.64608905     -0.23836370      0.58337972
+C      0.97029683     -1.61371143      0.32115614
+C     -0.14704112     -0.88207075     -0.48516929
+C     -1.36294789     -0.47514155      0.30154662
+C     -1.38306349      0.83819084      0.58112241
+C     -0.18680788      1.57288280      0.01882144
+C      0.71768816      0.42838951     -0.47668749
+H      2.72621415     -0.18192414      0.39042599
+H      1.45332010      0.14422141      1.59632848
+H      1.57778729     -2.26888317     -0.31979022
+H      0.64659541     -2.18568555      1.20276099
+H     -0.40811865     -1.33844556     -1.45409012
+H     -2.13650932     -1.18598197      0.60131025
+H     -2.17525646      1.34196534      1.13893538
+H      0.31895498      2.19632845      0.77698275
+H     -0.48936965      2.25857925     -0.79315595
+H      1.23326849      0.65368022     -1.41975709 
+
+17
+-1798.7925655507288 11.600223 12.34439 -8.8842 -6.7184 -8.785 0.9384 0.0544 1.439 8.26741 -0.78682 5.9735090954 5.9735090954 0.286670852
+C     -1.05330234     -0.00768646     -1.03652288
+C     -0.64786971      1.04847083      0.03501772
+C     -1.00035246     -0.03576548      1.09722268
+C     -0.60656469     -1.08119040      0.00598077
+C      0.90452546     -1.17515399     -0.03269754
+C      1.61089084     -0.03383272     -0.03531081
+C      0.87266838      1.28361797      0.00027670
+H     -2.14203491     -0.01856836     -1.18916838
+H     -0.53349755      0.00336404     -2.00550712
+H     -1.20143257      1.99835400      0.06128230
+H     -0.43316064     -0.04990092      2.03921618
+H     -2.08018585     -0.05133680      1.30330585
+H     -1.10207065     -2.06089260      0.00537474
+H      1.38985924     -2.15364966     -0.05750236
+H      2.70336385     -0.03154221     -0.06235353
+H      1.14278014      1.89520328     -0.87998549
+H      1.18660348      1.87211949      0.88174116 
+
+17
+-1774.7897630687503 11.968455 12.88598 -8.9555 -6.8557 -9.087 1.0208 0.1438 1.355 8.53152 -0.6875 6.1968078814 6.1968078814 0.32740849
+C      2.11936351     -0.19466642     -0.04938592
+C      0.75541499     -0.80589876      0.19301465
+C     -0.39502720     -1.44374969     -0.54703480
+C     -1.56927407     -0.50576024     -0.23725523
+C     -1.45258179      0.73710926      0.28535642
+C     -0.12476517      1.46077459      0.54583321
+C      0.87009227      0.63980096     -0.23798844
+H      2.68075924     -0.38718065     -0.96616529
+H      2.74251980     -0.10360373      0.84285148
+H      0.57420685     -0.86412037      1.27354257
+H     -0.63540176     -2.46526460     -0.20362010
+H     -0.22276438     -1.51007727     -1.63575488
+H     -2.57581025     -0.89685839     -0.41556271
+H     -2.37023922      1.29310113      0.50129357
+H      0.09954091      1.49185322      1.62662602
+H     -0.20150059      2.50981003      0.20994485
+H      0.65753686      0.73162094     -1.31044542 
+
+15
+-1670.2043195340468 12.61502 12.22038 -8.2475 -6.3836 -8.166 0.3576 -1.1072 0.299 7.64794 0.36556 4.475584635 5.7240368648 0.634691521
+C      0.90072755     -1.25379283      0.44248765
+C     -0.39670646     -1.50804750     -0.27718367
+C     -1.41949658     -0.61478541     -0.22922116
+C     -1.33721838      0.71480667      0.31861724
+C     -0.21583605      1.50962668      0.31845385
+C      1.06585340      1.14692234     -0.22964403
+C      1.57000906     -0.11393897     -0.27763990
+H      1.53531400     -2.14906092      0.45183740
+H      0.69456185     -0.96263198      1.48825513
+H     -0.51594807     -2.43797266     -0.83922747
+H     -2.38219148     -0.90557011     -0.66119821
+H     -2.27955339      1.18318224      0.61760669
+H     -0.34572336      2.55394020      0.61749272
+H      1.65872566      1.95895008     -0.66217086
+H      2.48665225     -0.30949783     -0.84005538 
+
+17
+-1805.6751683420248 12.715865 12.91029 -8.1849 -6.1831 -8.117 0.6045 -0.8942 0.414 7.6755 0.18003 4.664105348 4.664105348 0.353889627
+C     -1.43230543      0.69781996      0.22988227
+C     -1.48805839     -0.79442373     -0.12039248
+C     -0.28228777     -1.61212940      0.24555744
+C      1.00292914     -1.20671984      0.35435770
+C      1.60088630      0.10172999      0.10298374
+C      1.02936300      1.25741308     -0.30433780
+C     -0.42328771      1.53663948     -0.56441759
+H     -2.43469553      1.12496957      0.06762926
+H     -1.21656594      0.80419420      1.30544938
+H     -1.69347644     -0.91617896     -1.20101402
+H     -2.36414106     -1.23738142      0.38332127
+H     -0.48189076     -2.66837502      0.45204897
+H      1.72448006     -1.97565024      0.64763683
+H      2.68596472      0.12809598      0.24239949
+H      1.70204258      2.10603962     -0.46352075
+H     -0.60870218      2.60205553     -0.34562900
+H     -0.62362460      1.43309119     -1.64788472 
+
+17
+-1800.3684275665707 12.352459 12.92402 -8.948 -6.7587 -8.745 0.9154 -0.0723 1.362 8.3672 -0.70543 5.8197912526 6.3391190122 0.358891814
+C      1.13396655      1.21302439     -0.31171116
+C     -0.18636566      1.57956585      0.38810681
+C     -1.39678445      0.82962647     -0.10553271
+C     -1.53247865     -0.50109419     -0.19994158
+C     -0.54429369     -1.57540493      0.16717951
+C      0.93762293     -1.31223936      0.15296896
+C      1.63439628     -0.18581416     -0.06544284
+H      1.91395841      1.91811864      0.02082676
+H      1.02536984      1.38384921     -1.39807016
+H     -0.06340045      1.40977972      1.47270187
+H     -0.35953737      2.65969423      0.26673924
+H     -2.25578966      1.43914933     -0.40350206
+H     -2.49603371     -0.88247938     -0.55397793
+H     -0.71956864     -2.44168609     -0.49755521
+H     -0.81949549     -1.97011692      1.16811887
+H      1.52696195     -2.21910760      0.32933848
+H      2.72507181     -0.28693524     -0.06049685 
+
+19
+-1942.602099032432 12.364329 13.31015 -8.9396 -6.8123 -8.962 0.9324 -0.0391 1.43 8.43725 -0.77515 6.1843720856 6.1843720856 0.34987196
+C      1.73348942     -0.14466482     -0.02885274
+C      0.82227880     -1.25427999      0.51703478
+C     -0.43054577     -1.54024522     -0.32573889
+C     -1.54475962     -0.53390398     -0.15561360
+C     -1.43768562      0.76312886      0.17877169
+C     -0.17177908      1.57081171      0.35275964
+C      0.99966223      1.10981281     -0.52945655
+H      2.34293408     -0.54547951     -0.85669123
+H      2.44645052      0.13955939      0.76369151
+H      1.41394322     -2.17860231      0.61583499
+H      0.49052818     -0.99549707      1.53635408
+H     -0.82968785     -2.52864860     -0.04425909
+H     -0.15875129     -1.63689840     -1.39438595
+H     -2.55649525     -0.93006778     -0.29264387
+H     -2.37082197      1.32108419      0.30934695
+H      0.13377082      1.58610621      1.41634076
+H     -0.40896535      2.61933021      0.11007454
+H      1.72904902      1.93010011     -0.62641523
+H      0.60563553      0.93123417     -1.54373180 
+
+17
+-1781.2687011435949 11.847144 12.80458 -8.5883 -6.4958 -8.266 1.6471 0.0645 1.392 7.80546 -0.70208 5.2733601534 11.3049318926 0.22849486
+C      0.80814360      0.02528751     -0.55200156
+C      2.11531197     -0.08901651      0.19948550
+C      2.57629119     -1.40803458      0.92678067
+C      3.96205471     -0.67860671      0.88964039
+C      3.51647916     -0.15380027     -0.51739414
+C      3.64776900      0.55168390      1.75328697
+C      2.44172670      0.93767964      1.30352290
+H     -0.05016767     -0.05457939      0.13272828
+H      0.71122673     -0.76936637     -1.30618711
+H      0.73366228      0.99293213     -1.07165428
+H      2.53205247     -2.29358753      0.27253540
+H      2.14126673     -1.61766778      1.91465353
+H      4.90943228     -1.20746639      1.04702577
+H      3.95011092      0.79536199     -0.86399716
+H      3.55803448     -0.92487014     -1.30349969
+H      4.27672797      0.97780943      2.53213691
+H      1.80810749      1.76790107      1.61154761 
+
+17
+-1800.8794807523857 11.863303 12.73527 -8.6098 -6.5216 -8.705 1.0581 0.0698 1.417 8.2364 -0.7752 5.8337148804 10.685423445 0.304823323
+C      1.37119414      0.30963325      0.63790798
+C      2.66407440     -0.10778995     -0.02241455
+C      3.42166144      0.88566975     -0.87127870
+C      4.02806745      0.40871653      0.44274662
+C      4.96116691     -0.74554027      0.31460931
+C      4.33775318     -1.83418235     -0.16916774
+C      2.85909457     -1.59067201     -0.37088133
+H      1.38415008      1.37625506      0.90536092
+H      1.19163212     -0.26732272      1.55886001
+H      0.51192138      0.14728446     -0.03283619
+H      3.02558662      1.90303457     -0.89911036
+H      3.90186838      0.54799352     -1.79262792
+H      4.12582744      1.12026606      1.26583920
+H      6.02469997     -0.68242664      0.55123596
+H      4.82115623     -2.78274303     -0.40818540
+H      2.53159797     -1.82125436     -1.39929854
+H      2.25609770     -2.23418186      0.29662074 
+
+17
+-1779.613045368243 11.707134 12.63906 -8.5593 -6.5093 -8.242 1.5935 0.0037 1.388 7.77678 -0.71076 5.2550598198 11.4220118724 0.215981974
+C      0.91370043     -0.16303384     -0.20170164
+C      2.32217237      0.32013340      0.08709264
+C      3.59512712     -0.45048321     -0.44252681
+C      4.35281577      0.90397199     -0.21789207
+C      2.99397581      1.48361445     -0.74386536
+C      2.98503370      0.88840351     -2.15875670
+C      3.37995362     -0.38205508     -1.96079439
+H      0.17334067      0.58889474      0.11096213
+H      0.69871333     -1.08791499      0.35481622
+H      0.76829867     -0.36455567     -1.27224519
+H      2.43836679      0.52393628      1.16549962
+H      3.93302038     -1.39582161      0.00074204
+H      4.54573713      1.12916288      0.84242158
+H      5.24241642      1.08407617     -0.83688860
+H      2.71113921      2.53572032     -0.61193493
+H      2.71274627      1.40105156     -3.07886103
+H      3.51835230     -1.19098090     -2.67494749 
+
+17
+-1799.172662880977 11.710639 12.5351 -8.6106 -6.5102 -8.684 0.9805 0.0546 1.404 8.21659 -0.76752 5.811161827 10.8289868344 0.272755364
+C      1.00186115     -0.02042362     -0.51331195
+C      2.28195997     -0.02057615      0.28858403
+C      3.52090829      0.75288829     -0.10489118
+C      3.68260931      1.21288165     -1.55594594
+C      3.74102914     -0.07508632     -2.34722327
+C      3.69275236     -1.15494755     -1.54733078
+C      3.54834770     -0.78063730     -0.11404558
+H      0.43873602      0.91079339     -0.34554747
+H      0.35535391     -0.85997976     -0.21613364
+H      1.19120902     -0.11161835     -1.59154181
+H      2.11864643     -0.03151951      1.37074541
+H      4.04169255      1.30751583      0.67659205
+H      4.60273832      1.80797972     -1.68797411
+H      2.84980580      1.85935243     -1.88695103
+H      3.78495890     -0.10009027     -3.43743477
+H      3.72156434     -2.19034459     -1.89093582
+H      4.06555678     -1.35844787      0.65469586 
+
+19
+-1926.003209797775 12.944304 14.23166 -8.8314 -6.7627 -8.966 0.9608 0.0683 1.438 8.34621 -0.77703 6.2468114352 6.2468114352 0.401649624
+C      1.00592282      0.03628620     -0.01626263
+C      2.51020868     -0.10234902     -0.02366833
+C      3.22858329     -0.72946457     -1.19518108
+C      3.37055360      0.75300470     -0.94789318
+C      4.62130714      1.39129041     -0.44268726
+C      4.44122577      2.79133233      0.08765753
+C      5.81701942      0.77972785     -0.43955190
+H      0.67836792      0.85263614      0.64563442
+H      0.52213815     -0.89029650      0.32995294
+H      0.62540501      0.25146685     -1.02613151
+H      2.96666566     -0.30312445      0.94999355
+H      2.62784521     -1.03797215     -2.05274501
+H      4.08180185     -1.37502165     -0.98626253
+H      2.78558789      1.39676085     -1.61474010
+H      4.04192093      3.45694769     -0.69507565
+H      5.38710112      3.21520576      0.44952535
+H      3.71177627      2.80631155      0.91366946
+H      5.95323521     -0.22392968     -0.84441915
+H      6.70049408      1.27385771     -0.03129492 
+
+19
+-1922.5017599885623 13.083798 14.64975 -9.4426 -7.2578 -9.461 1.2389 0.105 1.363 8.92876 -0.78249 6.651600928 6.651600928 0.497236535
+C      0.99126376     -0.19273009      0.02095154
+C      2.49691515     -0.07792740     -0.04456457
+C      3.25354409     -0.59096025     -1.25075111
+C      3.15740183      0.89857911     -0.98956677
+C      4.38818768      1.68299319     -0.56472467
+C      5.24063277      2.10466142     -1.72855592
+C      5.56699484      3.36753780     -2.02638380
+H      0.55826964      0.56707945      0.68973272
+H      0.68062972     -1.18234320      0.39011103
+H      0.54325246     -0.05469388     -0.97461831
+H      3.00892960     -0.20762191      0.91420672
+H      2.67241154     -1.00886834     -2.07478925
+H      4.21884413     -1.07438708     -1.08733604
+H      2.47821415      1.44918310     -1.64783572
+H      4.98667480      1.04620257      0.11252896
+H      4.09062457      2.57128755      0.01796324
+H      5.59680613      1.29460072     -2.37594728
+H      5.22613738      4.20373966     -1.40968044
+H      6.18590575      3.61033757     -2.89151032 
+
+17
+-1766.2019716917198 12.471408 14.24691 -9.8135 -7.5321 -9.763 0.9454 0.0612 2.335 9.35274 -1.9269 4.3682003604 10.5299078052 0.271326796
+C      1.25265385     -0.26840147      0.28748526
+C      2.71127989     -0.15866839     -0.09486321
+C      3.16721230     -0.47931701     -1.50305356
+C      3.18937826      0.94699075     -1.00585324
+C      4.51697992      1.64191860     -0.73287633
+C      5.11388268      2.24210844     -1.92318719
+C      5.59498659      2.74083800     -2.92018305
+H      1.01336860      0.37202493      1.15023993
+H      0.98647337     -1.30315700      0.55230352
+H      0.60326755      0.03816121     -0.54616072
+H      3.41339892     -0.44355882      0.69543889
+H      2.40601060     -0.75379510     -2.23522988
+H      4.12556131     -0.98459039     -1.63580539
+H      2.41544606      1.60670583     -1.40764062
+H      5.22709493      0.91566138     -0.30090910
+H      4.37694911      2.42534381      0.03237464
+H      6.02064605      3.17815521     -3.79989995 
+
+17
+-1792.9612011233992 12.090748 12.91245 -8.9616 -6.8474 -9.003 0.9414 0.1046 1.552 8.32875 -0.88244 6.3833696156 6.3833696156 0.446959148
+C      1.04603020      0.01823237      0.04172644
+C      2.38200101      0.02082175      0.00849667
+C      3.35359369     -1.16221145      0.05410088
+C      4.67501577     -0.36575375     -0.02825890
+C      4.35345553      0.66923460     -1.14581081
+C      3.32511575      1.19467069     -0.08566217
+C      4.40910211      0.79540052      0.97389428
+H      0.48027620     -0.91313395      0.11086303
+H      0.47417229      0.94727032      0.00055939
+H      3.21791510     -1.85026745     -0.79469489
+H      3.26476897     -1.74293126      0.98537861
+H      5.61112934     -0.93763333     -0.01879985
+H      3.96001826      0.29990621     -2.10458040
+H      5.17411372      1.38168973     -1.30733712
+H      2.88887004      2.19959736     -0.13391744
+H      5.23476686      1.51953048      1.00663282
+H      4.06773516      0.54365718      1.98903947 
+
+17
+-1782.6877013870057 11.915723 12.93969 -8.3353 -6.207 -7.967 0.9388 0.1044 1.509 7.45383 -0.78936 5.1445139022 11.6076437116 0.26715571
+C      1.32897804      0.26808956      0.33087533
+C      2.76806354     -0.05921055      0.13488112
+C      3.38704965     -1.11258946     -0.43314065
+C      4.87873190     -0.77610597     -0.28651426
+C      4.86672555      0.73821687     -0.69347723
+C      3.95261812      0.82590626      0.57768794
+C      4.90613376     -0.25648803      1.19252184
+H      0.67949189     -0.52289050     -0.06841256
+H      1.06248904      1.21488063     -0.16836163
+H      1.08963260      0.40206586      1.39915606
+H      2.96396642     -2.00281837     -0.89541822
+H      5.62045406     -1.48464835     -0.67557539
+H      4.41241138      0.99619203     -1.66099109
+H      5.84098966      1.23476362     -0.56177775
+H      3.73090475      1.77518164      1.08328883
+H      5.88409360      0.14989249      1.49524160
+H      4.48905604     -0.91678774      1.96662606 
+
+17
+-1800.2730605174193 11.943992 12.84444 -9.1499 -6.9697 -9.063 1.1606 -0.0992 1.481 8.44221 -0.82495 6.3290637476 6.3290637476 0.382696193
+C      1.52922007      0.02873450      1.10480044
+C      2.30554377      0.00071774      0.01539815
+C      2.84410309     -1.24761106     -0.66258856
+C      4.16159461     -0.80324924     -1.28471730
+C      5.11142720     -0.03575612     -0.39345333
+C      4.17724235      0.71779601     -1.31278077
+C      2.86944524      1.21179714     -0.70794344
+H      1.20374320      0.97186496      1.54831373
+H      1.18486226     -0.89063568      1.58331083
+H      2.15277374     -1.56733085     -1.46334481
+H      2.94332016     -2.08959645      0.03959301
+H      4.57656655     -1.38029146     -2.11204921
+H      4.91005041     -0.01389985      0.68069545
+H      6.16865362     -0.05152946     -0.65948090
+H      4.60374677      1.25527699     -2.16063108
+H      2.98632639      2.07674575     -0.03724989
+H      2.18458059      1.51601708     -1.52009230 
+
+17
+-1802.7798439600383 11.952217 12.93494 -8.4295 -6.3044 -8.402 0.9644 0.0905 1.503 7.89778 -0.8169 5.6588078302 5.6588078302 0.264328915
+C      0.92126206      0.00319456      0.31424457
+C      2.36993516      0.00555180     -0.05667355
+C      3.13936114      1.07043804     -0.35739172
+C      4.56332203      0.69589974     -0.58595916
+C      5.27160830      0.09245263      0.61689782
+C      4.60905192     -0.81777438     -0.38834687
+C      3.17989175     -1.27983284     -0.11587339
+H      0.34183204     -0.65594568     -0.35423431
+H      0.48810075      1.01123100      0.26282052
+H      0.76999486     -0.38133877      1.33635484
+H      2.78408257      2.10258598     -0.38965914
+H      5.15809778      1.20116722     -1.34912570
+H      6.36284071      0.10714276      0.62164852
+H      4.80017831      0.22956982      1.59269152
+H      5.25526991     -1.43431914     -1.01343897
+H      3.09553117     -1.85888246      0.82081167
+H      2.80588955     -1.93818029     -0.92091666 
+
+19
+-1922.781488376208 12.680056 13.63267 -9.4056 -7.2483 -9.333 0.9869 0.0846 1.421 8.76197 -0.81585 6.5657282244 6.5657282244 0.421693866
+C      0.76128423      0.24636987      0.32672462
+C      2.24864354      0.03537633      0.03267495
+C      3.24052337      0.98231520      0.80591052
+C      4.13665803     -0.24610932      1.10495129
+C      2.93909089     -1.16540966      0.75315786
+C      2.49134668      0.12141679     -1.45195883
+C      3.01844076     -0.80498289     -2.26065164
+H      0.57774536      0.25944201      1.41155016
+H      0.15482219     -0.55769237     -0.11740349
+H      0.40613208      1.20253019     -0.08910079
+H      2.76830886      1.38310913      1.71561564
+H      3.68231395      1.81316929      0.23724544
+H      4.95275122     -0.34157333      0.37580263
+H      4.55506624     -0.32805471      2.11705397
+H      3.13885574     -2.07357244      0.16832832
+H      2.36891176     -1.45227955      1.64897918
+H      2.18474102      1.08030931     -1.89172480
+H      3.34683687     -1.78068354     -1.89743686
+H      3.13974719     -0.61395031     -3.32772816 
+
+17
+-1767.4570875259847 12.301704 13.46212 -9.6459 -7.4336 -9.585 0.9264 0.0665 2.42 9.14299 -1.95399 4.310063325 10.2190253088 0.294694048
+C      0.87293700     -0.01980946      0.14583064
+C      2.39760155     -0.00395661     -0.00227897
+C      3.18354774      1.07599320      0.83254585
+C      4.22259813     -0.00603902      1.21946846
+C      3.20291113     -1.09428260      0.79990993
+C      2.78356310      0.02032319     -1.40851527
+C      3.09890380      0.03729241     -2.58229615
+H      0.59676219     -0.03849610      1.21009546
+H      0.44217149     -0.90566186     -0.34249893
+H      0.42633625      0.87273128     -0.31534702
+H      2.57862707      1.39539025      1.69387058
+H      3.53457805      1.96073575      0.28668389
+H      5.09386734      0.01177562      0.55069725
+H      4.57394363     -0.01857472      2.25959145
+H      3.56937244     -1.95597991      0.22795000
+H      2.60388517     -1.44990385      1.65111551
+H      3.37544394      0.05257244     -3.61652269 
+
+19
+-1922.941018667758 12.97994 14.33151 -8.9029 -6.8203 -9.186 1.0865 0.0376 1.343 8.68593 -0.74033 6.3857997412 6.3857997412 0.415534441
+C      1.00002460     -0.02193218     -0.02713410
+C      2.51021029     -0.08818037     -0.03064651
+C      3.30876257     -0.81356110     -1.09644024
+C      2.66177455     -1.54037135     -2.25552467
+C      3.33948716      0.69812067     -1.05031102
+C      4.52234272      1.48571649     -0.62669883
+C      5.76023639      1.01999867     -0.40853998
+H      0.64823801      0.84555807      0.55157879
+H      0.56280744     -0.92436805      0.42869021
+H      0.58758976      0.07077211     -1.04130891
+H      2.96281855     -0.12477528      0.96500395
+H      4.20832570     -1.30599446     -0.71707399
+H      1.78637154     -1.00230083     -2.64534292
+H      2.32968334     -2.54853449     -1.96218184
+H      3.37291087     -1.65166010     -3.08787290
+H      2.72254291      1.19193458     -1.80998569
+H      4.33196718      2.55399662     -0.46561205
+H      6.02023632     -0.02948368     -0.56586770
+H      6.55826008      1.67989467     -0.06668160 
+
+17
+-1768.2026158555107 12.742064 14.24872 -9.0727 -6.9172 -9.289 0.8836 0.0125 2.27 8.89956 -1.84456 4.2935359912 9.2672591784 0.542888811
+C      1.00219653      0.00333479     -0.02644458
+C      2.51271054     -0.04651045     -0.00636398
+C      3.33493077     -0.77327846     -1.04304958
+C      2.73256007     -1.52574404     -2.20708430
+C      3.32512474      0.75752685     -1.02489168
+C      4.48475855      1.49821152     -0.62689565
+C      5.47135157      2.12234149     -0.28516274
+H      0.63671087      0.88160361      0.52591521
+H      0.57197729     -0.89276523      0.44665983
+H      0.60150506      0.06626922     -1.04741498
+H      2.95035923     -0.04901469      0.99502788
+H      4.26109969     -1.20636992     -0.65703497
+H      1.83176695     -1.03413105     -2.59885646
+H      2.45281721     -2.54884219     -1.91237086
+H      3.45375826     -1.60103373     -3.03414587
+H      2.73216979      1.22114611     -1.81977637
+H      6.33963288      2.67273618      0.01278911 
+
+19
+-1923.099632128593 12.737378 13.8962 -9.317 -7.1672 -9.385 1.1353 0.0195 1.392 8.84633 -0.79731 6.5858635508 6.5858635508 0.417925406
+C      0.74321168     -0.08319999      0.23189890
+C      2.25211993     -0.03282978      0.06174309
+C      3.06027651      1.07572668      0.79294762
+C      4.17795105      0.03633461      1.08937857
+C      3.12920385     -1.09008542      0.78841826
+C      5.35807214      0.00223272      0.16488031
+C      5.69460929      0.90245606     -0.76677145
+H      0.31737729     -0.98536956     -0.23398083
+H      0.25879580      0.79007965     -0.23151030
+H      0.46671231     -0.09405623      1.29832508
+H      2.51081998     -0.02325808     -1.00926890
+H      2.55823587      1.38228583      1.72361036
+H      3.32452282      1.98070897      0.22833495
+H      4.54839726      0.03087200      2.12806675
+H      3.47533158     -1.95705386      0.20722804
+H      2.64880014     -1.44559947      1.71296270
+H      5.99820888     -0.88067177      0.28793665
+H      5.10722253      1.80551597     -0.94400763
+H      6.58112111      0.76423167     -1.38709214 
+
+17
+-1767.9924895795104 12.422265 13.77284 -9.7672 -7.4449 -9.65 0.9263 0.0271 2.396 9.25773 -1.9631 4.328909197 10.4032685048 0.240365858
+C      0.90191599     -0.00219004      0.06615512
+C      2.42048641      0.00802341      0.02932809
+C      3.18581937      1.06273510      0.87512742
+C      4.24716286     -0.03250646      1.24172038
+C      3.19861714     -1.10505128      0.78357243
+C      5.45266226      0.00893263      0.43460972
+C      6.45898077      0.04062377     -0.24649120
+H      0.49402094     -0.87059661     -0.47344087
+H      0.48412198      0.90390979     -0.39878174
+H      0.53371732     -0.04780003      1.10344805
+H      2.77413246      0.05413641     -1.01317890
+H      2.61406944      1.35560116      1.76873277
+H      3.55792637      1.96276016      0.36936651
+H      4.52299897     -0.07564681      2.30625763
+H      3.58104104     -1.95480448      0.20409398
+H      2.63084227     -1.47855861      1.64914935
+H      7.34674440      0.07228188     -0.84402874 
+
+19
+-1925.2193075358698 13.03441 14.2015 -9.2173 -7.1579 -9.372 1.5884 0.077 1.36 8.82225 -0.75691 6.5740104892 6.5740104892 0.477525667
+C      0.99837244     -0.38357420      0.33842661
+C      2.40738763      0.13022971      0.10175792
+C      2.95474009      1.32143502      0.93441121
+C      4.33725828      0.62161026      0.94467209
+C      3.61903806     -0.72376212      0.61420693
+C      4.26314977     -1.69158285     -0.31585600
+C      4.43335730     -3.00008896     -0.08368526
+H      0.81862945     -1.31844893     -0.21396507
+H      0.24416914      0.34860730      0.01129103
+H      0.82833497     -0.58540168      1.40763545
+H      2.55995351      0.33925282     -0.97160817
+H      2.50495499      1.33669124      1.93965816
+H      2.88528832      2.32903739      0.50177502
+H      4.96229690      0.94847599      0.09963314
+H      4.93799334      0.65854297      1.86343248
+H      3.32960482     -1.23140976      1.55086777
+H      4.61103184     -1.27257597     -1.26947931
+H      4.10449740     -3.45759277      0.85339721
+H      4.90749176     -3.65570547     -0.81564121 
+
+17
+-1769.4485573198112 12.489481 13.86002 -9.6834 -7.4225 -9.656 0.9432 0.0695 2.331 9.22187 -1.90608 4.3380717624 10.176584901 0.397596959
+C      0.94747075     -0.02082214      0.01086274
+C      2.46298773      0.03163250      0.05583039
+C      3.17960145      1.08852655      0.94069637
+C      4.25018389      0.02528926      1.29238615
+C      3.23158332     -1.07818887      0.85902506
+C      3.70176326     -2.25874444      0.16658790
+C      4.10551246     -3.23150417     -0.44078693
+H      0.59639516     -0.90450146     -0.54293260
+H      0.53411919      0.87070500     -0.48491523
+H      0.52450957     -0.06620520      1.02661005
+H      2.87891175      0.06438957     -0.96403763
+H      2.56640716      1.34984670      1.81723453
+H      3.51647283      2.01446246      0.45624488
+H      5.10280852      0.05626571      0.60060612
+H      4.62224576     -0.02180634      2.32380038
+H      2.62013450     -1.37343895      1.72938870
+H      4.45978270     -4.09025618     -0.97288087 
+
+17
+-1801.0358851213791 12.186585 12.95352 -8.6632 -6.5974 -8.842 1.0368 0.0901 1.475 8.21578 -0.81457 6.1925303644 6.1925303644 0.437634822
+C      1.30674190      0.12663826      0.74256186
+C      2.38005889     -0.04550732     -0.04302764
+C      2.81974878     -1.35140364     -0.68518931
+C      4.36193140     -1.25063368     -0.77239789
+C      4.65649208      0.24450106     -0.83095553
+C      3.87016582      1.06866025     -1.80968083
+C      3.40376681      0.98391551     -0.35979698
+H      1.06341183      1.10248309      1.16703048
+H      0.63937171     -0.70242796      0.98335406
+H      2.38218166     -1.43398267     -1.69394395
+H      2.47746055     -2.22861483     -0.12011955
+H      4.81808065     -1.66887166      0.13901639
+H      4.77294895     -1.80227691     -1.63213571
+H      5.64501794      0.59749971     -0.53347094
+H      4.29925356      2.02301470     -2.11600712
+H      3.27749079      0.57218566     -2.58050947
+H      3.46165666      1.88500044      0.25146214 
+
+15
+-1661.2751624362518 12.445023 12.42393 -8.1603 -6.2344 -8.143 0.6742 -0.8763 0.391 7.63673 0.14861 4.8064288774 4.8064288774 0.529040924
+C      0.97451055     -0.02813507      0.02453433
+C      2.30934048      0.14816023     -0.04682433
+C      3.05017480      1.37911693      0.25405838
+C      4.36718119      1.23102743     -0.02100802
+C      4.67060209     -0.15257012     -0.48610538
+C      4.40128298     -1.23974437      0.53907271
+C      3.32544638     -0.87088333     -0.47040682
+H      0.50985864     -0.97832549     -0.24156720
+H      0.31653265      0.77713054      0.35439107
+H      2.58322799      2.27222594      0.67029799
+H      5.13296775      1.99532009      0.11588083
+H      5.41617115     -0.33211116     -1.26214676
+H      4.88972769     -2.20464125      0.39470088
+H      4.26395753     -0.93214340      1.57704546
+H      3.06650813     -1.60993698     -1.22860313 
+
+17
+-1802.8670592401033 11.925471 12.91698 -8.4637 -6.3364 -8.425 0.9678 0.1168 1.513 7.87385 -0.82664 5.6910441902 11.2987449912 0.33678383
+C      1.04306036     -0.13132621     -0.04359771
+C      2.50549514      0.16799681      0.05680861
+C      3.14190732      1.29570965     -0.31684719
+C      4.62699649      1.24601269     -0.03804289
+C      4.85294315     -0.17849100      0.46863117
+C      4.50083601     -1.32530473     -0.44602974
+C      3.48358261     -0.84194148      0.57484799
+H      0.86134739     -1.01023863     -0.68361716
+H      0.48223437      0.71862681     -0.45454345
+H      0.62167688     -0.37244633      0.94616906
+H      2.65727594      2.15186724     -0.79054524
+H      5.23124536      1.47028842     -0.93434760
+H      4.91578503      1.99096338      0.72483501
+H      5.61208010     -0.35620953      1.23043785
+H      4.99641310     -2.27778772     -0.25096486
+H      4.29241350     -1.11524610     -1.49762142
+H      3.20992726     -1.49913327      1.40327758 
+
+17
+-1798.8881313991935 11.793734 12.63018 -8.6307 -6.5769 -8.719 1.2135 0.0405 1.421 8.23739 -0.77302 5.8552264514 5.8552264514 0.247647429
+C      1.00644550     -0.17538886     -0.01312199
+C      2.49565123      0.19776137     -0.05262498
+C      2.85258778      1.44546112      0.73587057
+C      3.90366301      1.25440251      1.55080786
+C      4.37910434     -0.15925210      1.51248665
+C      3.36265450     -1.17621079      2.00835654
+C      3.44202440     -0.85906725      0.53373223
+H      0.81390241     -1.08111883     -0.60628573
+H      0.38576385      0.63404594     -0.42527030
+H      0.67304347     -0.36596153      1.01743901
+H      2.76813831      0.36233628     -1.11329992
+H      2.28693214      2.37489792      0.64560390
+H      4.34366262      2.01210342      2.20152387
+H      5.44253602     -0.39455677      1.57863809
+H      3.73769678     -2.15362358      2.31626536
+H      2.52440482     -0.79527567      2.59487596
+H      3.82034882     -1.64109320     -0.12522711 
+
+15
+-1666.3748435196558 13.13926 12.71923 -8.0183 -6.1265 -8.038 0.232 -1.2953 0.045 7.50702 0.56397 4.538445537 4.538445537 0.433731508
+C      1.08364527     -0.00669308      0.31496269
+C      2.39664027     -0.00498310      0.03764877
+C      3.23592150     -1.24604715     -0.25120502
+C      4.61314735     -0.68756024     -0.48955676
+C      4.62955877      0.65621790     -0.37184538
+C      3.29942339      1.17834643     -0.04570665
+C      2.98195213      2.47928750      0.13787338
+H      0.53772804      0.91700198      0.51380808
+H      0.51205227     -0.93527565      0.35180898
+H      2.85846372     -1.80021166     -1.12793898
+H      3.21949844     -1.95649092      0.59328557
+H      5.47503551     -1.31141200     -0.72660615
+H      5.50424600      1.29505001     -0.49780969
+H      1.96705908      2.79664309      0.37922646
+H      3.73917825      3.25864687      0.04917469 
+
+17
+-1804.065893637541 12.853099 13.26659 -8.4281 -6.4095 -8.495 0.3608 -1.1128 0.431 7.89572 0.10323 5.0590503524 6.9652979066 0.47704337
+C      1.05950677      0.00246450      0.31652951
+C      2.37960562      0.00909990      0.06382981
+C      3.23496505      1.25653233     -0.09026120
+C      4.44419874      0.78164363     -0.91638151
+C      4.66280789     -0.66062395     -0.42403756
+C      3.25889821     -1.17171728     -0.14296275
+C      2.89732607     -2.46612722     -0.11798397
+H      0.49599520     -0.92664398      0.41701716
+H      0.50090866      0.93284259      0.42899742
+H      3.57528723      1.58841223      0.90715029
+H      2.68710776      2.09433262     -0.54296906
+H      4.18254498      0.77299597     -1.98653274
+H      5.32979856      1.41972062     -0.79186369
+H      5.21182112     -1.29526508     -1.13300382
+H      5.23946555     -0.64688523      0.51814442
+H      1.87125369     -2.77472045      0.08959167
+H      3.62236890     -3.25926117     -0.30658398 
+
+15
+-1670.474616744205 12.913343 12.71495 -7.994 -6.0699 -8.007 -0.3539 -1.9196 -0.521 7.37757 1.04623 3.1550593434 6.00464198 0.583908074
+C      0.93381950      0.05976746     -0.00637000
+C      2.42844561      0.04133377     -0.00222645
+C      3.28553054      1.10070590      0.00323091
+C      4.67633591      0.61589441      0.00563240
+C      4.67356112     -0.74284868      0.00163990
+C      3.26755278     -1.18464476     -0.00347253
+C      2.82844656     -2.46021876     -0.00829989
+H      0.55814099      1.09157654     -0.00297279
+H      0.51582503     -0.45093869      0.87605569
+H      0.52084326     -0.44326753     -0.89555313
+H      2.99705547      2.15190761      0.00551829
+H      5.55422832      1.26061408      0.00993070
+H      5.53085812     -1.41226180      0.00207413
+H      1.76332434     -2.69922337     -0.01189081
+H      3.52677244     -3.29897617     -0.00882642 
+
+17
+-1811.8516623842436 12.520967 13.27591 -7.9307 -5.9468 -8.022 1.0926 -0.3781 0.758 7.43531 -0.18316 4.5402185368 6.6230965466 0.607872988
+C      0.98850731      0.06954630      0.00783861
+C      2.48517102     -0.00291464      0.00699018
+C      3.24986457     -1.12546986      0.01015666
+C      4.69998425     -0.74613213      0.00481733
+C      4.66643719      0.75251782     -0.00308796
+C      3.37707826      1.18198957     -0.00088425
+C      2.89802303      2.60935243     -0.00184504
+H      0.54517969     -0.93487877      0.01207872
+H      0.60909269      0.60255329     -0.87885344
+H      0.60990784      0.61036205      0.89006567
+H      2.88520743     -2.15202245      0.01454893
+H      5.23264599     -1.15409198     -0.87431255
+H      5.23640597     -1.14446632      0.88611468
+H      5.55608435      1.38178580     -0.00896846
+H      1.80350047      2.67404523     -0.06279134
+H      3.31028966      3.16927355     -0.85408441
+H      3.20722030      3.13602012      0.91359668 
+
+17
+-1811.2088428307359 13.087272 13.26684 -8.0957 -6.1269 -8.07 0.8713 -0.5975 0.507 7.50802 0.04926 4.901538538 4.901538538 0.590197763
+C      0.99977149      0.03028774      0.14860387
+C      2.49085076     -0.00285980      0.02526233
+C      3.26701407     -1.10201025     -0.11880969
+C      4.73291706     -0.77991675     -0.20487089
+C      4.77662262      0.76827800     -0.11705641
+C      3.32668330      1.20579716      0.05200353
+C      2.88719561      2.47093315      0.19884184
+H      0.57092385     -0.97882809      0.09692805
+H      0.55109742      0.63755899     -0.65323176
+H      0.69357029      0.48645595      1.10326610
+H      2.88379582     -2.12372177     -0.16415953
+H      5.29761480     -1.25952659      0.61297312
+H      5.17707893     -1.15848957     -1.14097960
+H      5.20898736      1.20983120     -1.02727053
+H      5.39263673      1.11315984      0.72619214
+H      3.57540311      3.31751160      0.21102839
+H      1.82551679      2.69515921      0.31111904 
+
+17
+-1809.4714014482079 12.500016 13.05421 -7.9858 -5.9952 -7.958 0.8274 -0.6019 0.765 7.47367 -0.16328 4.4882808014 7.1552692558 0.550282163
+C      0.88346388      0.04316241      0.10751096
+C      2.42173066      0.03574715      0.05710239
+C      3.01286166      1.20210597     -0.69402895
+C      3.82483296      0.73583233     -1.67256785
+C      3.82808756     -0.72846194     -1.64192286
+C      3.01757556     -1.17081733     -0.64544039
+C      2.72653038     -2.58135006     -0.25127124
+H      0.51303528      0.94217674      0.61976600
+H      0.49963889     -0.83440108      0.64755437
+H      0.46821268      0.03225822     -0.91031791
+H      2.80254168      0.05369952      1.09856033
+H      2.79473050      2.24317009     -0.46026594
+H      4.39525066      1.33983696     -2.37855379
+H      4.40178370     -1.36163742     -2.32040689
+H      3.25934024     -3.29173939     -0.89753659
+H      1.64913162     -2.80856718     -0.31742678
+H      3.02555208     -2.78334500      0.79063516 
+
+17
+-1802.6605787676879 12.444202 13.05837 -8.8382 -6.6683 -8.678 1.156 -0.1225 1.369 8.33443 -0.74673 5.9778858012 6.0071960916 0.246815562
+C      0.92003694     -0.06171977     -0.19893231
+C      2.44320539      0.01305928      0.01079714
+C      3.17395757     -1.21880039     -0.47542686
+C      4.11228894     -0.93745077     -1.38968724
+C      4.20069518      0.53978013     -1.67517395
+C      3.12472664      1.13902388     -0.77542267
+C      2.82049746      2.43894999     -0.68813464
+H      0.42891473      0.85776157      0.14963760
+H      0.48981171     -0.90733530      0.35828875
+H      0.68265126     -0.19383729     -1.26444856
+H      2.62718584      0.15479650      1.09344353
+H      2.93396193     -2.21918708     -0.10995603
+H      4.75336950     -1.67312901     -1.87777748
+H      5.20059471      0.94571618     -1.43896284
+H      4.02389649      0.77036832     -2.74071366
+H      3.34437097      3.19047065     -1.28227962
+H      2.03732474      2.80061312     -0.01839117 
+
+19
+-1945.0163080235761 12.4708 13.39157 -8.9312 -6.8465 -8.91 0.9846 0.0132 1.467 8.3956 -0.81347 6.1154730654 6.1154730654 0.307207267
+C      1.01606824      0.01305847      0.07372172
+C      2.54221537     -0.04635447     -0.04353172
+C      2.99726498     -1.28431676     -0.87199234
+C      3.37905969     -0.70401589     -2.20927398
+C      3.42365103      0.63494300     -2.18011135
+C      3.10837037      1.19356127     -0.81150907
+C      4.34576903      1.81891146     -0.14490276
+H      0.69213911      0.91029698      0.62275835
+H      0.62188800     -0.86679657      0.60432154
+H      0.55074771      0.04180184     -0.92436204
+H      2.97213018     -0.08292635      0.97037556
+H      2.19338832     -2.03617774     -0.95171203
+H      3.85567881     -1.80527609     -0.41162356
+H      3.61042540     -1.31978663     -3.08076223
+H      3.69857986      1.27113370     -3.02435288
+H      2.33021059      1.97633180     -0.88020010
+H      5.14140417      1.06919495     -0.01755934
+H      4.09496169      2.22622369      0.84624248
+H      4.75485746      2.64028336     -0.75224626 
+
+17
+-1807.5304759218986 13.006825 13.05048 -8.1987 -6.2382 -8.152 0.8579 -0.6614 0.447 7.6121 0.11482 4.9336633106 4.9336633106 0.607133832
+C      1.04788337      0.05120292      0.19245660
+C      2.55854813     -0.03597423     -0.06338781
+C      2.94426360     -1.27291318     -0.92857879
+C      3.51266485     -0.68448853     -2.19061285
+C      3.58184400      0.66204358     -2.13282858
+C      3.07881287      1.16556438     -0.85989869
+C      3.06765125      2.45139279     -0.45721272
+H      0.79273595      0.95688338      0.76086456
+H      0.69440903     -0.82126069      0.76230382
+H      0.49705559      0.08636578     -0.75986076
+H      3.07712122     -0.07805436      0.90786746
+H      2.07111048     -1.91635839     -1.13492870
+H      3.68338186     -1.91807757     -0.42304923
+H      3.83208533     -1.29370859     -3.03751750
+H      3.96664305      1.31165019     -2.92051095
+H      2.68368348      2.74483187      0.52138057
+H      3.44820593      3.24760064     -1.09905643 
+
+19
+-1948.2092753635325 12.572007 13.56687 -8.6133 -6.534 -8.555 0.9345 0.0052 1.555 7.99117 -0.8556 5.8790565606 5.8790565606 0.313177104
+C      0.92571091      0.07336193      0.03450783
+C      2.46254639     -0.00662702      0.01480329
+C      3.01809544     -1.31387719      0.64349024
+C      3.47952436     -0.93437533      2.07347865
+C      3.63797385      0.56176002      1.98917313
+C      3.10375965      1.07940172      0.86979417
+C      3.06385024      2.52228459      0.47508483
+H      0.48562113     -0.72161969     -0.58549930
+H      0.56366071      1.03623985     -0.35532045
+H      0.54055632     -0.04010324      1.05971300
+H      2.79214436      0.08809661     -1.03598550
+H      3.88743700     -1.65688791      0.06256634
+H      2.27840364     -2.12805696      0.63459232
+H      4.41180707     -1.44756955      2.35954660
+H      2.73226682     -1.20950449      2.84038852
+H      4.10929333      1.15448531      2.77702332
+H      3.55488913      2.67869091     -0.49984908
+H      3.56674628      3.15780531      1.21664258
+H      2.02861337      2.88450516      0.36511949 
+
+19
+-1944.9269054249276 12.591727 13.64316 -8.9403 -6.8577 -9.071 1.1195 -0.0989 1.471 8.42005 -0.78706 6.3134663088 6.3134663088 0.390580287
+C      0.95407178      0.02062485     -0.01406044
+C      2.47868472      0.00908595      0.06641568
+C      3.09959691      1.14871471      0.89970209
+C      4.52892111      0.65879460      1.17520970
+C      4.34893410     -0.84859271      1.44747683
+C      3.10167154     -1.24766563      0.66853950
+C      2.62044800     -2.49232202      0.55975981
+H      0.57593532     -0.78646547     -0.65778737
+H      0.59047786      0.97133951     -0.43105620
+H      0.51064496     -0.10946812      0.98483039
+H      2.88159950      0.10462172     -0.96170212
+H      2.54503725      1.25249081      1.84897707
+H      3.06195188      2.12005060      0.38539676
+H      5.15175128      0.81054004      0.27847015
+H      5.01623844      1.18789590      2.00599835
+H      5.22779180     -1.44761167      1.16731660
+H      4.17597578     -1.02108968      2.52303184
+H      1.70146977     -2.70839052      0.01201857
+H      3.12945803     -3.34297287      1.01739279 
+
+15
+-1705.152883663078 12.360069 12.41958 -8.7604 -6.9412 -8.748 1.0952 -0.308 0.724 8.5312 -0.14059 4.5863537274 6.0796783072 0.74314892
+C      0.96987084      0.01263711      0.05970808
+C      2.47549373      0.03744755     -0.02856818
+C      3.18092677      1.24856958     -0.08022640
+C      4.57667423      1.26753843     -0.17321726
+C      5.29350007      0.06932728     -0.21493275
+C      4.60335288     -1.14685409     -0.16239567
+C      3.21016070     -1.16005453     -0.07028376
+H      0.55944077      1.02197039      0.19599609
+H      0.62918041     -0.60892390      0.90100602
+H      0.52608454     -0.40901486     -0.85540286
+H      2.62827630      2.19085771     -0.04625019
+H      5.10435034      2.22244968     -0.21304140
+H      6.38238886      0.08105606     -0.28618281
+H      5.15348399     -2.08948204     -0.19056738
+H      2.67984557     -2.11509437     -0.02903153 
+
+19
+-1949.037134093047 12.682176 13.57361 -9.0045 -6.9423 -9.078 1.0071 -0.1076 1.496 8.42944 -0.84368 6.3864072726 6.3864072726 0.431485344
+C      0.99297325      0.02877384      0.06095822
+C      2.33372676      0.00617949      0.03169852
+C      3.13103802     -1.27588320      0.01221070
+C      4.10857994     -1.30975099     -1.17944433
+C      4.99356621     -0.05783285     -1.21232116
+C      4.15066280      1.22316805     -1.22016766
+C      3.17290243      1.26001551     -0.02879468
+H      0.43888256      0.97014689      0.06223189
+H      0.40835062     -0.89342313      0.09243693
+H      2.45899227     -2.14689822     -0.00839794
+H      3.71994784     -1.34308090      0.94668138
+H      4.72878863     -2.21857716     -1.12848349
+H      3.52783381     -1.37109010     -2.11614292
+H      5.65283837     -0.05453583     -0.32518113
+H      5.65468613     -0.08295454     -2.09313506
+H      4.80069064      2.11210337     -1.19786523
+H      3.57194922      1.27374608     -2.15877206
+H      3.76390101      1.33799326      0.90351593
+H      2.52981949      2.15149043     -0.07804790 
+
+15
+-1674.4142893271264 13.39573 12.59913 -7.9712 -6.0903 -7.815 0.5925 -0.92 0.141 7.31253 0.49315 4.6209334228 4.6209334228 0.695565165
+C      0.90037892      0.00286432     -0.24567055
+C      2.22988201      0.00843886      0.02590088
+C      2.98431064      1.25310240      0.18089640
+C      4.30394710      1.26989802      0.45036371
+C      5.11544217      0.02053969      0.61550230
+C      4.31438718     -1.23557012      0.45065546
+C      2.99465521     -1.22984249      0.18118310
+H      0.34956937     -0.93180685     -0.35883956
+H      0.34177665      0.93287352     -0.35904770
+H      2.43563137      2.19205375      0.06954536
+H      4.82574107      2.22423201      0.55755166
+H      5.96169194      0.02398918     -0.10037710
+H      5.61188434      0.02272875      1.60665557
+H      4.84410220     -2.18550790      0.55802857
+H      2.45384984     -2.17337314      0.07003191 
+
+15
+-1670.0860972344624 13.196745 12.51624 -7.679 -5.7658 -7.636 0.0296 -1.4911 -0.117 7.13118 0.7043 3.7995137742 10.9065028816 0.476205029
+C      0.85467941     -0.05711054     -0.00237811
+C      2.20763715     -0.01801017     -0.01253377
+C      2.96820848      1.30702131     -0.03927562
+C      4.46755221      1.19475426     -0.01477212
+C      5.10062299      0.00555186      0.00531538
+C      4.34738666     -1.24107838      0.00873022
+C      2.98997955     -1.24484026      0.00023586
+H      0.25123677      0.85228264     -0.00799976
+H      0.32176462     -1.00901126      0.01133611
+H      2.64466504      1.93597303      0.80925784
+H      2.67355642      1.88152258     -0.93620695
+H      5.03632719      2.12741671     -0.01828806
+H      6.19136720     -0.03860221      0.01933436
+H      4.89497146     -2.18536945      0.02153988
+H      2.44096484     -2.18974013      0.00793474 
+
+15
+-1670.171145262225 14.256724 13.03509 -7.8423 -6.0167 -7.833 0.1426 -1.3559 -0.237 7.22481 0.77438 4.2074277142 4.2074277142 0.800927475
+C      1.00337478      0.03233312     -0.32987911
+C      2.30698040      0.01960395      0.01553749
+C      3.17557982     -1.20641942      0.26881199
+C      4.54451525     -0.63762122      0.62116331
+C      5.65715981     -1.33465284      0.92937088
+C      4.42233767      0.81173519      0.56085111
+C      3.15796375      1.18311692      0.21875422
+H      0.43592140     -0.88979832     -0.46231160
+H      0.47346023      0.97268435     -0.48815969
+H      3.22744319     -1.85074528     -0.62205835
+H      2.77334459     -1.81968689      1.08944530
+H      5.66327235     -2.42522671      0.95155077
+H      6.59171277     -0.82443413      1.16695063
+H      5.25036272      1.49068027      0.76723106
+H      2.80540127      2.20883101      0.10559198 
+
+17
+-1806.5780219129242 12.510879 13.03807 -9.0868 -6.9107 -8.985 0.9734 -0.1055 1.336 8.54093 -0.67507 6.1858227218 6.1858227218 0.39646394
+C      1.00434465      0.07064371      0.59287031
+C      2.18873788     -0.01038536     -0.02909980
+C      2.94064747      1.19580710     -0.52995047
+C      4.33071637      1.28741431      0.12989183
+C      5.03065441     -0.04468677      0.14586540
+C      4.39541961     -1.21058748     -0.04307230
+C      2.90575189     -1.32187143     -0.25542969
+H      0.50657540      1.03141851      0.74126274
+H      0.49309947     -0.81872166      0.96833255
+H      2.36280672      2.11511549     -0.35587139
+H      3.08559557      1.09818091     -1.62119129
+H      4.23070900      1.66599965      1.16353042
+H      4.94947236      2.02899875     -0.40225195
+H      6.11026723     -0.04470355      0.32082780
+H      4.96385791     -2.14500926     -0.03786815
+H      2.71698208     -1.67392951     -1.28926925
+H      2.48720199     -2.10165341      0.40206323 
+
+17
+-1801.864337596341 12.78476 13.50458 -9.0783 -6.8932 -8.999 1.0582 -0.3596 1.373 8.5098 -0.67472 6.2188649908 6.2188649908 0.727349689
+C      1.01620826      0.01139670      0.06669814
+C      2.35295585      0.00661968      0.01479941
+C      3.25437692      1.22257998      0.05210879
+C      4.42353491      0.82832367     -0.87258730
+C      4.57594173     -0.66573760     -0.65483158
+C      5.69997288     -1.37273699     -0.81825296
+C      3.23863804     -1.21440454     -0.17214688
+H      0.43812893     -0.91285891      0.00316382
+H      0.45571425      0.94149421      0.17883516
+H      3.63499530      1.36481623      1.07955120
+H      2.73973248      2.14658111     -0.24356868
+H      4.13400090      1.01544786     -1.92194805
+H      5.35260220      1.38285722     -0.68194253
+H      5.73133541     -2.44872907     -0.63437738
+H      6.62680264     -0.89838585     -1.14671372
+H      2.80089321     -1.93196293     -0.88323546
+H      3.36817609     -1.75385078      0.78160801 
+
+17
+-1810.9951899323582 13.117478 13.13237 -8.328 -6.3336 -8.251 0.7954 -0.7027 0.414 7.70974 0.15048 5.0213834056 5.0213834056 0.693459595
+C      0.85900133     -0.02778404     -0.15869449
+C      2.19712853      0.00134439      0.01254465
+C      2.95200899      1.27734928      0.32365977
+C      4.33734197      1.28865562     -0.33665238
+C      5.15857255      0.06479240      0.08902883
+C      4.35386550     -1.20264495      0.00970326
+C      3.00522878     -1.21416466     -0.05491931
+H      0.25667215      0.88103285     -0.11198963
+H      0.33433050     -0.96677950     -0.34593209
+H      2.36065468      2.15322800      0.01862981
+H      3.08012597      1.34476930      1.41961617
+H      4.87277435      2.21672182     -0.08557230
+H      4.21343239      1.27305637     -1.43230122
+H      5.53471510      0.19765702      1.12179820
+H      6.06001809     -0.02921938     -0.53910351
+H      4.89953035     -2.14995895     -0.00932047
+H      2.47298878     -2.16458558     -0.15452529 
+
+19
+-1951.7682504181116 12.603332 13.62247 -8.6553 -6.5452 -8.65 0.9299 0.011 1.534 8.0795 -0.83355 5.988089849 5.988089849 0.348302839
+C      0.95310469     -0.01629097      0.04118540
+C      2.45564892      0.01743226     -0.00758766
+C      3.14416218      1.16090834     -0.17571365
+C      4.64727902      1.25436710     -0.19249078
+C      5.31679847     -0.02075015      0.33526822
+C      4.63938501     -1.26505892     -0.24532327
+C      3.15812140     -1.31375090      0.14861654
+H      0.54369652     -0.64590145     -0.76668441
+H      0.51920786      0.98858647     -0.05218184
+H      0.59774115     -0.45620116      0.98859936
+H      2.58795939      2.09574634     -0.30640732
+H      4.99188674      1.46228497     -1.22367581
+H      4.96886960      2.12629323      0.40218339
+H      6.39157319     -0.01439242      0.09643236
+H      5.23438238     -0.04531993      1.43583336
+H      5.15098750     -2.18060348      0.08965281
+H      4.72113475     -1.24009492     -1.34582641
+H      3.05324999     -1.65165652      1.19766507
+H      2.63004121     -2.07356788     -0.45410537 
+
+19
+-1949.964084238412 12.734733 13.78703 -8.2459 -6.1818 -8.225 0.8946 0.0088 1.592 7.66913 -0.85644 5.5881606074 5.5881606074 0.27619723
+C      0.97175867      0.08759686      0.01203428
+C      2.46521982      0.01803559     -0.04821558
+C      3.22947587     -1.09079017     -0.12841581
+C      2.75484380     -2.51915836     -0.17495225
+C      4.70419174     -0.74494461     -0.09335027
+C      4.73039778      0.78316364     -0.32279332
+C      3.31291638      1.26872610      0.05745677
+H      0.50557029     -0.90508627     -0.04753074
+H      0.56707582      0.70318459     -0.80883657
+H      0.63530661      0.56289781      0.94940113
+H      3.60185797     -3.21590068     -0.23942876
+H      2.10920453     -2.70872106     -1.04677513
+H      2.17467486     -2.79139022      0.72119126
+H      5.13744114     -1.02283959      0.88686898
+H      5.28503541     -1.29638769     -0.85142988
+H      4.90937487      0.98596278     -1.38967196
+H      5.52417621      1.28943783      0.24398735
+H      2.95485132      2.08201406     -0.59582694
+H      3.27615690      1.66626938      1.09011745 
+
+17
+-1812.6364643073398 12.647239 13.27508 -7.8159 -5.855 -7.845 1.15 -0.3539 0.783 7.30588 -0.18201 4.4126989358 6.863307023 0.555562734
+C      0.91573669     -0.02317018     -0.00249694
+C      2.41021919      0.01575225      0.00195155
+C      3.24240734      1.09739508      0.00526052
+C      2.88426860      2.55233126      0.00538808
+C      4.63588617      0.62075064      0.00898305
+C      4.66473966     -0.73194188      0.00792021
+C      3.25094442     -1.23744458      0.00335397
+H      0.47772999      0.98382068      0.00039673
+H      0.52218022     -0.55821206      0.87794839
+H      0.52709110     -0.55103810     -0.88946307
+H      1.79843586      2.71337839     -0.00078425
+H      3.30440274      3.06376779     -0.87556181
+H      3.29401722      3.06118861      0.89272652
+H      5.50361528      1.28241400      0.01204799
+H      5.54556658     -1.37115670      0.00990780
+H      3.04295609     -1.87108884     -0.87843097
+H      3.03779285     -1.87251635      0.88287224 
+
+17
+-1811.4513958961757 12.768721 13.07697 -7.9452 -5.8909 -7.83 0.7756 -0.6911 0.594 7.39195 0.02867 4.360773599 7.2047520684 0.440232205
+C      0.94114500      0.03469920      0.16070942
+C      2.43319075      0.06305573      0.03102516
+C      3.17292414      1.18805800      0.16761170
+C      4.61929636      1.17758767     -0.03733056
+C      5.30606107      0.01680281     -0.08089751
+C      4.58065944     -1.28894887      0.12182274
+C      3.13275065     -1.21631408     -0.38255586
+H      0.62099561     -0.66061919      0.95462291
+H      0.47421952     -0.32661931     -0.77223050
+H      0.53145571      1.02883936      0.38534457
+H      2.68403866      2.13674603      0.40555813
+H      5.14018767      2.13325824     -0.13124461
+H      6.39221579      0.01112408     -0.19403649
+H      5.11121999     -2.11638550     -0.37295581
+H      4.58569659     -1.52755964      1.20479710
+H      2.56624084     -2.09457139     -0.03557795
+H      3.12050220     -1.26401314     -1.49041244 
+
+17
+-1812.9784680480277 12.756344 13.53557 -7.6931 -5.7399 -7.723 1.0063 -0.4587 0.808 7.27982 -0.17575 4.3268758266 7.0780383764 0.533581544
+C      0.90827971      0.07318429     -0.00509428
+C      2.40206914      0.04781981      0.00013451
+C      3.27019119      1.09307855     -0.00259287
+C      4.64858293      0.59855613      0.00392878
+C      4.65406239     -0.76022555      0.01096938
+C      5.82307382     -1.69055022      0.01985694
+C      3.21636761     -1.22481841      0.00904865
+H      0.52677372      1.10337513     -0.00483229
+H      0.48896681     -0.44127960      0.87592068
+H      0.49520405     -0.43828655     -0.89086075
+H      2.99133417      2.14809491     -0.00872240
+H      5.53451893      1.23568943      0.00331188
+H      6.77258279     -1.13805652      0.01690855
+H      5.81923810     -2.35799378     -0.85833192
+H      5.81676591     -2.34412676      0.90843693
+H      2.99346746     -1.85782314     -0.86942362
+H      2.98811126     -1.84871774      0.89264183 
+
+17
+-1811.779930957383 13.540135 13.57005 -8.0034 -5.9962 -7.921 0.9278 -0.4928 0.549 7.35768 0.05986 4.8044575 4.8044575 0.640250124
+C      0.97993101      0.02288585      0.05426785
+C      2.47136618     -0.00140540      0.00061067
+C      3.27781935     -1.08843861      0.00957321
+C      4.68829771     -0.72949603     -0.05395179
+C      5.73751104     -1.57527653     -0.02723946
+C      4.75462740      0.79232293     -0.15874652
+C      3.28452146      1.27282851     -0.06221344
+H      0.55519713     -0.98701864      0.12463541
+H      0.56155646      0.51103781     -0.84188634
+H      0.62433415      0.60847981      0.91826431
+H      2.92934267     -2.12182301      0.06396101
+H      6.76563920     -1.21348834     -0.07572322
+H      5.59093838     -2.65414407      0.04412207
+H      5.20898313      1.08808194     -1.11596363
+H      5.38309550      1.21757866      0.63662187
+H      2.98475569      1.89567896     -0.92242197
+H      3.10414353      1.89072616      0.83523996 
+
+15
+-1671.5130438219567 13.310592 13.05666 -8.1076 -6.1914 -8.145 -0.3041 -1.8365 -0.515 7.39816 1.03529 3.2912951602 6.0106429024 0.594978286
+C      0.95169023      0.05492075      0.00466714
+C      2.44369296     -0.01773749      0.00268011
+C      3.23568783     -1.12795647     -0.00019930
+C      4.64008949     -0.69651330     -0.00096824
+C      5.73715791     -1.48476432     -0.00360013
+C      4.62339816      0.77788253      0.00147323
+C      3.32420401      1.17428051      0.00376008
+H      0.49730353     -0.94424948      0.00150628
+H      0.58079484      0.60410372     -0.87606968
+H      0.58283947      0.59751530      0.89035266
+H      2.90812785     -2.16617143     -0.00162488
+H      5.65428507     -2.57308772     -0.00553761
+H      6.74178012     -1.05831402     -0.00417566
+H      5.51111456      1.40705516      0.00147984
+H      2.95984396      2.20187625      0.00591616 
+
+17
+-1811.8696865144427 12.678907 13.56837 -7.776 -5.8168 -7.854 1.0185 -0.461 0.772 7.31378 -0.16596 4.4134800476 6.8144689376 0.561700197
+C      0.93848999      0.05952224     -0.00050459
+C      2.43198733      0.01620005      0.00241876
+C      3.30852946      1.05383451      0.00380963
+C      4.69401081      0.56196404      0.00236156
+C      5.90479143      1.45555997      0.00426954
+C      4.66267798     -0.79753174      0.00075330
+C      3.23458979     -1.26200808      0.00159419
+H      0.56989225      1.09429103      0.00064043
+H      0.51494382     -0.45020751      0.88083902
+H      0.51920260     -0.44648839     -0.88608342
+H      3.03914462      2.11226795      0.00424466
+H      5.62033216      2.51556284     -0.04115188
+H      6.55850601      1.24939381     -0.85599621
+H      6.50800955      1.31361773      0.91345762
+H      5.52223610     -1.46693226     -0.00080333
+H      2.99742264     -1.88719173     -0.87894436
+H      2.99847343     -1.88684445      0.88271508 
+
+17
+-1811.298127508491 12.423751 13.06235 -8.6427 -6.4784 -8.398 0.8781 0.0033 1.371 8.04125 -0.8051 5.4039794044 6.7786369836 0.439078228
+C      0.95712645     -0.04706927      0.10114211
+C      2.45260472      0.02631825     -0.02548377
+C      3.11250483      1.19344268     -0.10159687
+C      4.60434590      1.32046326     -0.22377937
+C      5.30933450     -0.00450447     -0.26949079
+C      4.66842994     -1.17752336     -0.19677181
+C      3.17722245     -1.29832991     -0.06117153
+H      0.50216664      0.95226452      0.13053180
+H      0.66429546     -0.58577736      1.01810811
+H      0.51403466     -0.60289269     -0.74232085
+H      2.53942648      2.12606335     -0.07227017
+H      4.99993653      1.92449975      0.61657995
+H      4.86102007      1.91182803     -1.12438735
+H      6.39841435      0.01163961     -0.36694752
+H      5.24050964     -2.10894921     -0.23619842
+H      2.77287577     -1.91549070     -0.88848061
+H      2.92809161     -1.87723249      0.85089709 
+
+17
+-1806.4623914618498 12.654707 13.49274 -8.6613 -6.4659 -8.5 1.3987 -0.0088 1.446 8.00462 -0.7718 5.8296853354 11.1750193618 0.297660531
+C      0.97776194      0.01654457      0.15156234
+C      2.46194213     -0.02437383     -0.02165605
+C      3.25234312     -1.11089916     -0.05686761
+C      4.70685872     -0.77235459     -0.25122055
+C      4.70561671      0.75075080     -0.35209795
+C      5.77934742      1.52157146     -0.55851601
+C      3.27375898      1.24311602     -0.18513637
+H      0.55482213     -0.98928732      0.27601448
+H      0.49153031      0.48850333     -0.71844949
+H      0.69737467      0.61963855      1.03073413
+H      2.89252365     -2.13698707      0.04438168
+H      5.33265452     -1.12224055      0.58948517
+H      5.12847518     -1.23934615     -1.15925026
+H      6.77793966      1.09434805     -0.67209283
+H      5.69931902      2.60888134     -0.62182175
+H      2.93648693      1.83611067     -1.05453551
+H      3.16740488      1.90526386      0.69390659 
+
+17
+-1810.588636435568 12.630685 13.12486 -8.0509 -5.9892 -7.959 0.8198 -0.6727 0.584 7.4891 0.00348 4.4536143158 6.9676164448 0.503839966
+C      0.93538934     -0.05804959     -0.15403417
+C      2.42670801      0.04761647      0.01419601
+C      3.10418934      1.20982193     -0.12093788
+C      4.59155000      1.27653408      0.12056261
+C      5.28754598     -0.04009045     -0.25086861
+C      4.51504167     -1.22912232      0.26064394
+C      3.17247066     -1.16957087      0.36874069
+H      0.67385450     -0.77353465     -0.94972450
+H      0.48933102      0.91328470     -0.40540434
+H      0.46014015     -0.42476012      0.77031563
+H      2.56564995      2.13613773     -0.34035011
+H      5.03995291      2.11198835     -0.43768570
+H      4.76640090      1.49721825      1.19358778
+H      6.31960250     -0.04832890      0.13015856
+H      5.36675911     -0.12296785     -1.35388205
+H      5.05060155     -2.15464722      0.48408817
+H      2.60621240     -2.04538955      0.69712398 
+
+17
+-1805.5723275232947 12.311338 12.77744 -8.2054 -6.2397 -8.171 0.7832 -0.729 0.722 7.70552 -0.15456 4.6237603036 7.2583016218 0.621038741
+C      0.93027790     -0.00151514      0.05759848
+C      2.47671658      0.00006491      0.08741661
+C      2.98088077      0.00303670      1.54964884
+C      3.03766334      1.17542776     -0.68698869
+C      3.79040882      0.73286859     -1.72045178
+C      3.79183223     -0.73637971     -1.71798715
+C      3.03987647     -1.17685486     -0.68302373
+H      0.55960491     -0.00257612     -0.97651932
+H      0.53389383      0.88833035      0.56891798
+H      0.53572728     -0.89151216      0.57007016
+H      4.07887081      0.00325533      1.58418707
+H      2.61557594     -0.88586322      2.08518846
+H      2.61533689      0.89396850      2.08163537
+H      2.84019119      2.21333273     -0.41878353
+H      4.31727662      1.35238036     -2.44662592
+H      4.31990782     -1.35733778     -2.44202301
+H      2.84435859     -2.21420625     -0.41127984 
+
+19
+-1945.3522678012275 12.38548 13.26191 -8.9777 -6.8278 -8.94 0.922 0.0258 1.451 8.43695 -0.79938 6.1088150172 11.6560974404 0.325558364
+C      0.96532283      0.00236667     -0.04085941
+C      2.50241927     -0.00048874      0.01511476
+C      2.97668440     -0.00153007      1.47199205
+C      3.03857243     -1.23016650     -0.78765876
+C      3.35366304     -0.67220684     -2.15106257
+C      3.35617390      0.66844236     -2.15093930
+C      3.04316807      1.22731258     -0.78741892
+H      0.61344885      0.00263330     -1.08369944
+H      0.55406870      0.89367497      0.45778086
+H      0.55072079     -0.88700952      0.45846397
+H      4.07579792     -0.00322129      1.53054387
+H      2.60867155     -0.88929975      2.00966511
+H      2.61137864      0.88710691      2.01007447
+H      2.30117381     -2.05024234     -0.81719062
+H      3.94942674     -1.64958649     -0.32163323
+H      3.58159255     -1.29984345     -3.01449682
+H      3.58645221      1.29542471     -3.01422188
+H      3.95560054      1.64320426     -0.32131723
+H      2.30887377      2.05016921     -0.81680692 
+
+19
+-1945.2507855220151 12.513082 13.34802 -9.0163 -6.8613 -8.861 0.9353 0.0274 1.468 8.33946 -0.80694 6.0706769236 6.0706769236 0.308926935
+C      0.95277629      0.02858450     -0.00222552
+C      2.49620857     -0.00051043     -0.03823617
+C      2.97894980      0.14900052     -1.48911631
+C      3.05850133     -1.28935946      0.63892273
+C      3.38907692     -0.90431490      2.10084148
+C      3.51514814      0.59845623      2.03206371
+C      3.04510554      1.08394195      0.87546615
+H      0.57724873     -0.12249607      1.02045717
+H      0.53337257     -0.76087611     -0.64564333
+H      0.56812859      0.99552907     -0.36165551
+H      4.07742185      0.17218041     -1.53970766
+H      2.59733874      1.07776754     -1.94120826
+H      2.62537840     -0.69111523     -2.10719580
+H      3.98763431     -1.58321495      0.12593533
+H      2.35998637     -2.13552241      0.56287493
+H      4.30407776     -1.39507145      2.46857767
+H      2.58405541     -1.19204228      2.80133657
+H      3.90506645      1.20047289      2.85507534
+H      2.99097424      2.14273018      0.61079748 
+
+17
+-1809.6718421667572 12.580087 13.32843 -8.0591 -6.1208 -8.112 0.8918 -0.5655 0.746 7.56047 -0.17394 4.6009096838 6.9227707086 0.605991507
+C      0.83585022      0.09428402      0.07619456
+C      2.36973632     -0.03343518      0.05692057
+C      3.08288548      1.12935278     -0.58472217
+C      3.89772059      0.67120438     -1.56319835
+C      3.78638569     -0.79585382     -1.65685346
+C      4.55164068     -1.62969937     -2.63730728
+C      2.89422781     -1.21159210     -0.72143816
+H      0.52305943      0.98458264      0.64064572
+H      0.37597007     -0.78529555      0.54894736
+H      0.44531596      0.17914727     -0.94772205
+H      2.71963710     -0.11773418      1.10663576
+H      2.94132074      2.16595184     -0.28093974
+H      4.54584333      1.27685670     -2.19895666
+H      4.33659136     -1.32140771     -3.67275096
+H      4.30154012     -2.69444175     -2.54052390
+H      5.63814391     -1.51839666     -2.49221658
+H      2.58763119     -2.24137331     -0.53661467 
+
+17
+-1808.042181963186 12.432058 12.91961 -8.8852 -6.6668 -8.545 0.9039 -0.0118 1.319 8.31932 -0.97086 5.4743166622 6.8963988864 0.549173043
+C      0.92016848     -0.00196752     -0.30716189
+C      2.44003057      0.00053243     -0.03305445
+C      2.86310326      1.25532181      0.68750573
+C      3.51000772      1.26862749      1.86028950
+C      3.91073317      0.02329837      2.59843684
+C      3.50979868     -1.23461967      1.88207192
+C      2.86304307     -1.24162322      0.70914759
+H      0.62561238     -0.89545127     -0.87753609
+H      0.62464749      0.88416649     -0.88843423
+H      0.35902157      0.00356890      0.63843119
+H      2.93645937     -0.00800804     -1.02571548
+H      2.60235677      2.20307846      0.20568670
+H      3.77275984      2.22541659      2.32066874
+H      5.00412542      0.02473987      2.77468772
+H      3.47440060      0.03221544      3.61634712
+H      3.77224052     -2.18325585      2.35919011
+H      2.60207108     -2.19758029      0.24394901 
+
+19
+-1948.9472471738043 12.664319 13.86218 -8.6142 -6.5103 -8.581 0.9236 0.0448 1.54 8.02834 -0.84218 5.8720885474 5.8720885474 0.302029593
+C      1.10220997     -0.09129480      0.55198737
+C      2.43495120      0.01857980     -0.18482210
+C      2.82166166     -1.23349825     -1.01795863
+C      3.60138892     -0.65684966     -2.17195232
+C      3.44476971      0.67411817     -2.28114989
+C      4.01150990      1.57470849     -3.33194225
+C      2.52364041      1.19106506     -1.19472332
+H      0.88434781      0.82049701      1.12845085
+H      1.10140017     -0.93695705      1.25610231
+H      0.27374107     -0.24515429     -0.15762922
+H      3.23652040      0.17083967      0.55893705
+H      1.91951539     -1.76258182     -1.38234212
+H      3.39119337     -1.96850465     -0.42642258
+H      4.18516636     -1.26806900     -2.86395644
+H      4.62646980      2.37242715     -2.88285619
+H      3.20855493      2.08039919     -3.89426344
+H      4.63466568      1.02237550     -4.04870729
+H      2.88915584      2.12177334     -0.72957696
+H      1.53043741      1.42924613     -1.62386483 
+
+17
+-1808.1348565090386 12.554697 12.9516 -8.1997 -6.1292 -8.062 0.6436 -0.8684 0.507 7.6505 0.07855 4.4649590348 7.3021678686 0.435449949
+C      0.95947674     -0.01473958      0.44342789
+C      2.41150454      0.00145712     -0.04396876
+C      2.72841457      1.27076399     -0.85290957
+C      4.08137305      1.20404078     -1.51589206
+C      4.57460705      0.01682578     -1.92550762
+C      3.81462898     -1.21237276     -1.70442530
+C      2.77815344     -1.23195638     -0.84032858
+H      0.74181243      0.86279485      1.06997951
+H      0.75078274     -0.91411599      1.04134941
+H      0.26088606     -0.00458064     -0.40752721
+H      3.06919502      0.00243718      0.85231802
+H      2.65099841      2.15602335     -0.20327308
+H      1.95724186      1.40120136     -1.64168990
+H      4.61882506      2.13287747     -1.71910361
+H      5.52995204     -0.03850929     -2.45171596
+H      4.11262315     -2.11974090     -2.23461483
+H      2.23011486     -2.15837635     -0.64607835 
+
+17
+-1807.6563756805422 13.258659 13.33838 -8.1973 -6.2409 -8.159 0.8022 -0.7005 0.46 7.62341 0.10376 4.9402717644 4.9402717644 0.621935704
+C      1.01821837      0.12078175     -0.45791738
+C      2.44881792     -0.01126261      0.08080561
+C      2.70768723     -1.31965209      0.88288696
+C      3.40825921     -0.88996833      2.16642615
+C      3.96814567     -1.69423247      3.09072733
+C      3.36163019      0.56935976      2.20028691
+C      2.83249479      1.06967039      1.06466171
+H      0.78364810     -0.69636034     -1.15614266
+H      0.87913786      1.07058189     -0.99524733
+H      0.28853547      0.08632134      0.36550820
+H      3.13947800      0.03959840     -0.78294252
+H      3.29861254     -2.05342823      0.31702870
+H      1.74762772     -1.80134785      1.13024119
+H      3.96996381     -2.77978065      2.98125770
+H      4.44100665     -1.28254514      3.98398431
+H      3.73215734      1.15717094      3.04170317
+H      2.70448914      2.13142323      0.84423194 
+
+19
+-1945.1763749269167 12.62143 13.58873 -9.018 -6.8578 -8.885 0.9937 -0.0441 1.465 8.35937 -0.8016 6.087650607 6.087650607 0.309872423
+C      0.94972002      0.03619253     -0.09482084
+C      2.48591112     -0.00718614     -0.01441929
+C      3.03860076     -1.28901491      0.66928524
+C      3.39470744     -0.89583207      2.12905957
+C      4.65107198     -1.58875157      2.66780293
+C      3.50138707      0.61127981      2.03867081
+C      3.03181287      1.08796974      0.87780308
+H      0.56781957     -0.75925978     -0.75223735
+H      0.59777348      0.99965203     -0.49289137
+H      0.50202882     -0.09642730      0.90201009
+H      2.88106564      0.08680681     -1.04125132
+H      3.96242666     -1.60525525      0.15820135
+H      2.33190881     -2.13069446      0.61690360
+H      2.55583004     -1.14866169      2.80757879
+H      5.52216259     -1.35881838      2.03479339
+H      4.52361368     -2.68147087      2.68697431
+H      4.88135400     -1.26173601      3.69292403
+H      3.89061042      1.22161142      2.85718619
+H      2.97862505      2.14541607      0.60870678 
+
+19
+-1949.5317843475716 12.486899 13.48622 -9.0176 -6.8401 -9. 0.9505 0.0202 1.463 8.46906 -0.80902 6.2341524646 6.2341524646 0.348881365
+C      1.05045467     -0.00510166      0.62160106
+C      2.43446452      0.01743073     -0.02949533
+C      2.60336197      1.20716819     -0.98631688
+C      4.03164414      1.29051175     -1.54039130
+C      4.54813319     -0.05406734     -1.97794386
+C      3.95412418     -1.21091275     -1.64935024
+C      2.73008850     -1.29447481     -0.77616879
+H      0.86976891      0.90687941      1.21016753
+H      0.93603594     -0.86837441      1.29524896
+H      0.26029311     -0.07261412     -0.14408658
+H      3.19394831      0.12244067      0.76836613
+H      2.33608248      2.14685623     -0.47695599
+H      1.89342571      1.08892322     -1.82461552
+H      4.71121223      1.71437788     -0.77721458
+H      4.07088422      1.99569081     -2.38784224
+H      5.44983914     -0.06950200     -2.59735641
+H      4.36833375     -2.15260124     -2.02180513
+H      1.85434084     -1.57374853     -1.39451713
+H      2.84654419     -2.11864202     -0.05105369 
+
+19
+-1945.3512982552652 12.749682 13.89984 -9.0238 -6.8458 -9.098 1.1681 -0.0335 1.465 8.45699 -0.79334 6.336056558 6.336056558 0.419947749
+C      0.98567283      0.01758101     -0.14541298
+C      2.49514097     -0.01974759      0.07329176
+C      3.05515745      1.14516755      0.91309837
+C      4.46495625      0.67313962      1.30830464
+C      4.34740629     -0.84210130      1.41967064
+C      5.27049544     -1.66438891      1.93354574
+C      3.00445673     -1.25712397      0.84163997
+H      0.64214095     -0.84347498     -0.73812378
+H      0.68002759      0.93078046     -0.67787773
+H      0.45166812     -0.00405581      0.81831759
+H      2.99861537      0.00185722     -0.91139754
+H      2.43016738      1.27230737      1.81444699
+H      3.05235453      2.10281022      0.37246711
+H      5.18246726      0.92298219      0.50769248
+H      4.84292981      1.13570196      2.23140601
+H      5.12188212     -2.74589372      1.95820989
+H      6.20657230     -1.28532191      2.34939530
+H      3.06781755     -2.16433883      0.22236855
+H      2.30315105     -1.47913059      1.66804697 
+
+19
+-1948.57958147981 12.700629 13.73736 -8.6094 -6.5499 -8.55 0.9298 0.001 1.553 7.99493 -0.85518 5.8763288686 5.8763288686 0.311398292
+C      0.95200137      0.02219219     -0.09431364
+C      2.48890476     -0.02147490     -0.02441526
+C      3.04061698     -1.30570846      0.66158446
+C      3.43944238     -0.88366555      2.09634063
+C      3.54626098      0.62548333      2.01430607
+C      4.10446054      1.43439931      3.14207381
+C      3.04595136      1.07766270      0.85203506
+H      0.56296142     -0.78019869     -0.73956439
+H      0.59760926      0.98182723     -0.49981354
+H      0.51315220     -0.09909531      0.90806792
+H      2.87634293      0.05931426     -1.05548510
+H      3.93349222     -1.65457866      0.12202245
+H      2.31016398     -2.12769809      0.64662202
+H      4.38365976     -1.35038560      2.42336842
+H      2.68236173     -1.17139834      2.84919221
+H      4.09055293      2.50980722      2.91943351
+H      5.14394179      1.14132973      3.36446878
+H      3.53015212      1.26874259      4.06899753
+H      2.98059129      2.13394502      0.57828908 
+
+19
+-1948.2930698496498 12.464453 13.34018 -8.9615 -6.8667 -8.954 0.9174 0.0058 1.472 8.41141 -0.81398 6.2177863126 6.2177863126 0.360057701
+C      0.91796050      0.07719540     -0.10387729
+C      2.43227365     -0.02765115      0.15943963
+C      3.20191197      1.24052321     -0.26249035
+C      3.49548170      1.25728032     -1.76716481
+C      4.36124292      0.05533269     -2.16434958
+C      3.88384294     -1.21975493     -1.52243790
+C      3.01572156     -1.25484028     -0.49953372
+H      0.48029180      0.91578459      0.45868349
+H      0.39893644     -0.84331124      0.20214900
+H      0.70945037      0.23205503     -1.17288767
+H      2.55715655     -0.15031632      1.25129486
+H      2.63530589      2.13762512      0.03331056
+H      4.15903496      1.27438577      0.28534924
+H      3.99244939      2.19720938     -2.05169671
+H      2.54736724      1.22100299     -2.32939955
+H      5.41549988      0.23476062     -1.88045498
+H      4.37070245     -0.06414387     -3.26075081
+H      4.27468085     -2.15926709     -1.92479860
+H      2.69386893     -2.22366025     -0.10382481 
+
+17
+-1778.7396975658933 13.162896 14.03148 -8.9876 -6.9147 -9.18 1.4468 -0.0321 1.247 8.83071 -0.63033 6.297620898 6.5780648314 0.538382338
+C      1.59810611     -0.71165670     -0.31771885
+C      1.89764536      0.54445447     -0.67713142
+C      3.14681677      1.25111598     -0.33613726
+C      3.75826670      2.23546929     -1.32245800
+C      3.11214914      2.74420365     -0.05087391
+C      3.93294149      3.37217607      1.01608047
+C      4.55316987      2.74461457      2.02330407
+H      0.65353329     -1.17414572     -0.60430862
+H      2.28791011     -1.31510080      0.27701247
+H      1.17304852      1.11438639     -1.27216793
+H      3.86354106      0.66831600      0.24711075
+H      3.23816731      2.39924261     -2.26760296
+H      4.84701484      2.26427299     -1.37736020
+H      2.13812553      3.22037777     -0.20331497
+H      4.02696878      4.46217797      0.93858227
+H      4.48099683      1.66405440      2.16467711
+H      5.15366828      3.29889107      2.74555696 
+
+15
+-1622.3179196980925 12.899294 13.79424 -8.9687 -6.9178 -9.045 1.351 -0.2831 1.153 8.70524 -0.55946 4.2982598578 6.2778327324 0.328677236
+C      1.59759952     -0.29931499     -1.18036394
+C      2.23728619      0.14385343     -0.08996090
+C      3.35838634      1.11413247     -0.06714377
+C      3.71523067      1.98262596     -1.23632568
+C      3.04279660      2.62529261     -0.03044777
+C      3.77465427      3.49343959      0.84184319
+C      4.39970733      4.22849574      1.58188243
+H      0.76472007     -0.99829193     -1.09893553
+H      1.88470221      0.01239325     -2.18691593
+H      1.91965826     -0.21828886      0.89420621
+H      4.18780066      0.84342121      0.59123066
+H      3.11547458      1.91302609     -2.14372124
+H      4.76809455      2.21365503     -1.39354968
+H      1.98562894      2.86972528     -0.16044495
+H      4.94880980      4.87629511      2.23364690 
+
+13
+-1466.0447867957464 12.530668 13.63373 -9.3003 -7.1245 -9.169 1.0503 0.0426 1.891 8.88585 -1.66085 4.2960033126 10.7128987426 0.62582706
+C      0.99729464      0.01586227     -0.07828287
+C      2.21185347      0.00479790     -0.03687022
+C      3.64341665     -0.01215129      0.00738261
+C      4.44158746     -0.74000996     -1.05456317
+C      4.43934320      0.77477863     -1.05761312
+C      5.60290537      1.50876893     -0.65890744
+C      6.59264751      2.12732784     -0.32014153
+H     -0.07273997      0.02871578     -0.11250450
+H      4.08617540      0.00803730      1.00537742
+H      3.88164080     -1.23673397     -1.84586216
+H      5.35603321     -1.23628867     -0.73216698
+H      3.82039625      1.24835550     -1.82251211
+H      7.46271601      2.67497973     -0.02116594 
+
+19
+-1924.2592630167683 13.267862 14.49876 -8.7587 -6.7199 -9.079 1.1741 0.0995 1.33 8.57867 -0.74425 6.3473020882 6.3473020882 0.524990462
+C      0.81513307      0.62933310      0.94431852
+C      1.72635098      0.72652584     -0.28289351
+C      3.10954976      1.24828838      0.04651523
+C      3.95264628      1.93066846     -0.99091479
+C      3.34862682      2.75175047      0.14410593
+C      4.21508110      3.30234943      1.20048950
+C      4.02663503      4.47288598      1.82754749
+H     -0.18052154      0.24824124      0.67496829
+H      0.68633549      1.61286778      1.41981279
+H      1.23968409     -0.04975056      1.69925587
+H      1.26610156      1.38474824     -1.03962922
+H      1.81875970     -0.26556006     -0.75833332
+H      3.65674651      0.65232800      0.78447335
+H      3.52739687      2.07397813     -1.98590645
+H      5.03208633      1.77281278     -0.97580696
+H      2.49482071      3.37896206     -0.13010909
+H      5.07729260      2.68363425      1.47965303
+H      3.18397372      5.12351695      1.58057790
+H      4.70677092      4.81589953      2.60741545 
+
+17
+-1767.501689795636 12.75069 14.33028 -9.2062 -7.0323 -9.341 0.9401 0.0464 2.278 8.95244 -1.857 4.2996361024 9.390513661 0.374572978
+C      2.99269146     -1.20713694     -0.52201327
+C      2.45220543      0.05267016      0.16192980
+C      3.44933922      1.19164793      0.16096274
+C      3.55903347      2.11824475     -1.01768449
+C      2.96028503      2.63122780      0.29034795
+C      3.68062903      3.57536893      1.09313898
+C      4.30138308      4.37267503      1.76976669
+H      2.24894105     -2.01648168     -0.50968936
+H      3.89680476     -1.57657156     -0.01512672
+H      3.25791829     -1.00618134     -1.57060289
+H      2.16819311     -0.18059974      1.20197928
+H      1.52828915      0.38238704     -0.34357714
+H      4.38686102      0.98919647      0.68641460
+H      2.86421234      1.97753388     -1.84777698
+H      4.54044792      2.50316860     -1.29294855
+H      1.87375979      2.75650855      0.29366386
+H      4.84680585      5.07507211      2.36554550 
+
+19
+-1940.3612059233867 12.574007 13.68844 -9.4629 -7.2649 -9.458 0.9789 0.0096 1.396 8.88832 -0.79457 6.6475837816 6.6475837816 0.441557388
+C      0.80899020      0.03498010      0.09947974
+C      2.14420563      0.07027565      0.19105947
+C      3.00815990      1.29781014      0.18253849
+C      2.30658367      2.66218197      0.13259130
+C      3.43635996      3.64986253      0.46040870
+C      4.30547481      2.92377692      1.52177400
+C      3.91948459      1.42154744      1.43422008
+H      0.26585521     -0.91085840      0.12238693
+H      0.21195613      0.94361775     -0.00377207
+H      2.68645688     -0.87870864      0.28537131
+H      3.67279414      1.22904953     -0.70215550
+H      1.52761388      2.70185916      0.91374888
+H      1.82129032      2.86469706     -0.83328534
+H      4.03036572      3.84163234     -0.44764495
+H      3.06399868      4.62302457      0.81063641
+H      5.37714296      3.08222578      1.33449284
+H      4.10183618      3.31358923      2.52967230
+H      4.79419595      0.75783980      1.37472355
+H      3.34412520      1.11822706      2.32300387 
+
+17
+-1807.10910338849 13.37638 13.42458 -8.2602 -6.303 -8.141 0.7588 -0.774 0.356 7.59276 0.22046 4.8813412186 4.8813412186 0.688065565
+C      1.05272449     -0.14835605     -0.37134018
+C      2.39128401      0.00810267     -0.35854421
+C      3.08987038      1.27369109     -0.22739726
+C      4.43409797      1.42138844     -0.16508412
+C      4.85165311      2.85331261      0.02354054
+C      3.54896682      3.63998599     -0.27057380
+C      2.40033886      2.61877148     -0.08435195
+H      0.60126422     -1.13552038     -0.47198717
+H      0.37242175      0.70050796     -0.28036752
+H      3.02709279     -0.87940002     -0.45028055
+H      5.14367211      0.59183804     -0.20174699
+H      5.20800148      3.01803941      1.05807790
+H      5.68446870      3.14938496     -0.63458724
+H      3.56357724      3.98384798     -1.31570839
+H      3.43552199      4.52907031      0.36453228
+H      1.59207012      2.75943854     -0.81845473
+H      1.93565397      2.69682697      0.91501339 
+
+15
+-1669.3318674733737 13.600018 12.85871 -7.7344 -5.8999 -7.711 0.1183 -1.376 -0.068 7.154 0.65841 3.9158746352 6.415903542 0.501713286
+C      2.48470124     -1.08494581      0.59392432
+C      2.08271050      0.16198611      0.26873836
+C      2.93042706      1.32428799      0.13022107
+C      2.52541591      2.59189344     -0.20007318
+C      3.67255998      3.48734369     -0.24043581
+C      4.79720778      2.78911793      0.06290001
+C      4.42882698      1.35623344      0.32509110
+H      1.77075106     -1.90397615      0.67590545
+H      3.53306487     -1.32204594      0.78676183
+H      1.01635616      0.33640050      0.08715217
+H      1.49626024      2.89024268     -0.40376119
+H      3.62089732      4.54952819     -0.47872898
+H      5.81293730      3.17682759      0.11512586
+H      4.94649838      0.66778466     -0.36543197
+H      4.71646522      1.03943168      1.34276096 
+
+15
+-1667.950824372907 13.205793 12.91822 -8.026 -6.1539 -7.97 0.5167 -0.9986 0.203 7.36748 0.42122 4.3740029052 5.6827247296 0.502611767
+C      1.17168744     -0.23138381     -0.61690579
+C      2.46627214     -0.05294036     -0.29352656
+C      3.14535107      1.22754785     -0.16138911
+C      4.46101316      1.40084886      0.16735225
+C      4.78591890      2.86284726      0.20245806
+C      3.47949886      3.51601365     -0.14943569
+C      2.54424978      2.56089993     -0.35656817
+H      0.74325239     -1.23049111     -0.69466970
+H      0.50314677      0.60849212     -0.81387684
+H      3.08895373     -0.93438437     -0.10715196
+H      5.17800201      0.60754884      0.37473955
+H      5.58662084      3.12840374     -0.51272287
+H      5.15743799      3.18448358      1.19304824
+H      3.33395389      4.59257750     -0.22069716
+H      1.50381103      2.73805631     -0.62651424 
+
+15
+-1659.4526549440734 12.241443 12.47702 -8.3909 -6.3915 -8.256 0.7333 -0.7982 0.585 7.74347 -0.02294 4.5882507132 7.2405220294 0.53174774
+C      1.48536837     -0.45442819     -1.09316846
+C      2.06877765      0.09407952     -0.02200368
+C      3.17855787      1.11834996     -0.04050315
+C      2.77587201      2.45509044      0.54939405
+C      3.11784972      3.44057460     -0.31414405
+C      3.73972002      2.84886510     -1.50243118
+C      3.76593434      1.50016175     -1.37299032
+H      0.67776101     -1.17882112     -0.97968705
+H      1.78485662     -0.19343242     -2.10963822
+H      1.72688550     -0.19513065      0.97799603
+H      4.00697788      0.72325917      0.58882288
+H      2.28942628      2.56532751      1.51698525
+H      2.96404438      4.50897300     -0.16250391
+H      4.12415240      3.41984305     -2.34775305
+H      4.17491595      0.78289828     -2.08237514 
+
+17
+-1798.1536034572475 12.250802 12.81224 -9.0559 -6.8823 -9. 1.0532 0.007 1.383 8.86743 -0.80625 6.1170848834 6.6303869234 0.452821239
+C      1.26034123      0.02784847     -1.06140358
+C      2.08184938      0.30984759     -0.04396402
+C      3.35714621      1.11702187     -0.07327823
+C      3.86156260      1.50796728     -1.48866293
+C      3.42018298      2.94116853     -1.64806327
+C      3.02367292      3.47353853     -0.48416853
+C      3.12571365      2.48890132      0.65231130
+H      0.34589350     -0.54420220     -0.89932802
+H      1.45699900      0.35588998     -2.08378742
+H      1.80517959     -0.04466113      0.95671379
+H      4.12531343      0.54032191      0.46663038
+H      3.47564373      0.84148549     -2.27511392
+H      4.96249699      1.43596328     -1.54595970
+H      3.46143164      3.47407936     -2.59954384
+H      2.68823104      4.50267329     -0.34585339
+H      3.97154511      2.74241005      1.31608233
+H      2.22384701      2.47207637      1.28589905 
+
+17
+-1798.9124868589524 12.320032 12.86357 -9.1578 -6.9867 -8.949 1.0457 0.018 1.346 8.90295 -0.75374 6.089634383 6.6647682412 0.386759024
+C      0.81227402      0.54336749      0.00411509
+C      2.09832474      0.19054784      0.11577235
+C      3.29530417      1.11269817      0.02625803
+C      3.98753049      1.33530005      1.41261484
+C      3.52928103      2.73721570      1.88618898
+C      3.07787034      3.40056117      0.60829449
+C      2.96101710      2.52553060     -0.39978706
+H      0.01486151     -0.19489866      0.10016406
+H      0.51681773      1.57873791     -0.18058928
+H      2.34386077     -0.86094895      0.30785828
+H      4.01170082      0.64531354     -0.67366888
+H      5.07859175      1.33542114      1.27401872
+H      3.74277509      0.54078074      2.13085955
+H      4.33895169      3.28892762      2.38940388
+H      2.69536825      2.68251716      2.60843148
+H      2.84759300      4.46559721      0.54105278
+H      2.61871751      2.76817126     -1.40716732 
+
+17
+-1785.2942899715838 12.249071 13.56388 -9.7574 -7.4893 -9.692 0.8919 -0.0375 2.392 9.24076 -1.95622 4.3494412786 10.555424124 0.361827153
+C      0.96239229      0.00487356     -0.20828687
+C      2.17237251     -0.01025703     -0.09881506
+C      3.61900281     -0.02977966      0.05609110
+C      4.19766115      1.13147939      0.89835957
+C      5.64096133      0.68154326      1.17867278
+C      5.58803443     -0.87260212      1.25725446
+C      4.16904897     -1.27989708      0.78999120
+H     -0.10340271      0.01810509     -0.31048664
+H      4.07674084      0.01568209     -0.95012212
+H      3.61924110      1.20972122      1.83274479
+H      4.13108072      2.09936429      0.38308039
+H      6.29616719      0.99618307      0.35180687
+H      6.04419447      1.13606069      2.09418751
+H      6.36059942     -1.31947050      0.61468574
+H      5.78021777     -1.23386063      2.27755300
+H      4.16021028     -2.17132039      0.14810851
+H      3.51754742     -1.49045525      1.65187476 
+
+15
+-1649.0300115896734 12.776027 13.27928 -8.6132 -6.5697 -8.317 0.8154 -0.7439 0.632 7.83804 -0.03954 4.0587313044 11.2016143588 0.586092596
+C      0.95442489      0.04976626      0.02484427
+C      2.17001311     -0.02525607     -0.00709906
+C      3.58463665     -0.04523181     -0.04054092
+C      4.37498062     -1.14124479     -0.10514220
+C      5.83589575     -0.78712158     -0.06118030
+C      5.84007981      0.74055391     -0.31776968
+C      4.42072938      1.22506064      0.05810155
+H     -0.11458950      0.09936239      0.05202968
+H      4.00069014     -2.16492267     -0.13739994
+H      6.25814662     -1.04021627      0.92967323
+H      6.43421817     -1.34438261     -0.79913166
+H      6.01445792      0.92557074     -1.38827853
+H      6.62831991      1.26420352      0.23971964
+H      4.04778994      2.02059533     -0.60309680
+H      4.37146661      1.61807300      1.08857073 
+
+13
+-1511.8925111830688 13.051718 12.70215 -8.0845 -6.1771 -7.855 0.0826 -1.4126 0.063 7.378 0.49865 3.9063773076 7.251693168 0.288238535
+C      0.96267499     -0.04924746     -0.00005626
+C      2.18072700      0.01296781      0.00002747
+C      3.58787493      0.04221330      0.00035667
+C      4.41032811      1.13913638     -0.00484909
+C      5.79885306      0.70683579     -0.00220433
+C      5.85227015     -0.65091644      0.00459986
+C      4.45755583     -1.19764466      0.00683611
+H     -0.10676531     -0.09424098     -0.00018329
+H      4.07389678      2.17480749     -0.01011574
+H      6.65311126      1.38306440     -0.00528498
+H      6.74805055     -1.26896746      0.00797813
+H      4.25386285     -1.83458179     -0.87136019
+H      4.25323982     -1.82584636      0.89115564 
+
+13
+-1510.1535868805631 12.590851 12.75823 -8.3686 -6.3985 -8.132 0.2913 -1.1982 0.262 7.5864 0.36935 4.087694434 6.3927057614 0.697292857
+C      0.94499077      0.02723683     -0.00112546
+C      2.16142548     -0.01697838      0.00053109
+C      3.57873041     -0.02691228      0.00228362
+C      4.39811094     -1.12144537      0.00672223
+C      5.82394359     -0.66568861      0.00686268
+C      5.72117625      0.83221652      0.00205247
+C      4.41702849      1.18970782     -0.00047848
+H     -0.12512010      0.05574744     -0.00262391
+H      4.07698672     -2.16053453      0.00957025
+H      6.37802776     -1.04592972     -0.87116816
+H      6.37618964     -1.04044778      0.88839374
+H      6.57833394      1.50275599      0.00093421
+H      4.01126610      2.20010208     -0.00410428 
+
+13
+-1502.5041514612014 11.872909 12.38192 -8.6447 -6.5846 -8.33 0.5598 -0.9593 0.465 7.88144 0.10275 4.3166221844 7.282875647 0.667532553
+C      0.91969538      0.00033666      0.10801685
+C      2.12919729      0.00012133      0.00923245
+C      3.58459494     -0.00014946     -0.10254906
+C      4.17419300      1.18689391     -0.84089090
+C      5.01113061      0.73239394     -1.80089875
+C      5.01100260     -0.73453309     -1.80022380
+C      4.17378436     -1.18797551     -0.83994159
+H     -0.14773872      0.00052831      0.19096798
+H      4.01019551      0.00020110      0.92405703
+H      3.94030073      2.21812826     -0.58788904
+H      5.60254775      1.34969606     -2.47663828
+H      5.60215690     -1.35257498     -2.47550397
+H      3.93956965     -2.21892653     -0.58608892 
+
+15
+-1643.8907444712497 12.047434 12.94287 -9.296 -7.0967 -9.118 0.9212 0.0114 1.289 8.59296 -0.62704 4.3460688594 10.573464087 0.85316305
+C      1.03104157     -0.00062214      0.68340778
+C      2.18247742     -0.00031446      0.29640495
+C      3.55770679      0.00016504     -0.17925479
+C      3.94386430     -1.23669933     -1.05108926
+C      4.97173135     -0.66949884     -1.99744998
+C      4.97214773      0.67081883     -1.99653811
+C      3.94467107      1.23773332     -1.04972255
+H      0.01729514     -0.00090865      1.02788206
+H      4.22611885     -0.00043484      0.69948310
+H      3.06762305     -1.62014392     -1.60267711
+H      4.31893532     -2.06684275     -0.43367458
+H      5.59745030     -1.29621027     -2.63482884
+H      5.59877237      1.29776032     -2.63230936
+H      4.32050597      2.06675875     -0.43181702
+H      3.06906877      1.62241893     -1.60096630 
+
+15
+-1642.7521321413703 11.989873 12.78849 -9.3498 -7.1888 -8.952 0.9865 -0.0131 1.195 8.48195 -0.58119 4.3231314494 10.549410803 0.696902976
+C      0.94620540      0.02482251     -0.07925907
+C      2.16032850      0.00838554     -0.04036166
+C      3.62319574     -0.00391571      0.01953047
+C      4.22033579     -1.29537983      0.67256166
+C      4.60852511     -0.89642051      2.11624866
+C      4.67926222      0.60835107      2.05554228
+C      4.15316563      1.10008946      0.92753437
+H     -0.12369386      0.03682707     -0.11768561
+H      4.00002131      0.11350117     -1.01164340
+H      5.12271169     -1.57899676      0.11255023
+H      3.51754239     -2.13613438      0.62844284
+H      5.55845607     -1.35568423      2.43113366
+H      3.84966933     -1.21310713      2.85341906
+H      5.07894186      1.21644606      2.86888527
+H      4.04184283      2.15511566      0.67714127 
+
+19
+-1946.3497553282618 12.795147 13.95834 -8.5336 -6.4605 -8.65 0.9166 0.0349 1.535 8.06243 -0.81707 5.9929748974 5.9929748974 0.36983013
+C      1.10182784     -0.15031461      0.49246812
+C      2.39439858      0.07413285     -0.23509703
+C      3.05445421      1.23838775     -0.33558271
+C      2.65082976      2.56932195      0.28955700
+C      3.66239767      3.59201445     -0.26859531
+C      4.92813439      2.75590279     -0.52126208
+C      4.36739205      1.43574816     -1.07942473
+H      1.23965443     -0.83039154      1.34971382
+H      0.35344378     -0.62598482     -0.16161536
+H      0.67055744      0.78413205      0.87505168
+H      2.83149069     -0.80756788     -0.71862277
+H      2.74116696      2.50759654      1.38845440
+H      1.60700797      2.84364889      0.07446966
+H      3.29332041      3.99886426     -1.22479324
+H      3.83024443      4.44266315      0.40705538
+H      5.64217081      3.24461631     -1.19938738
+H      5.44888120      2.56880969      0.43285082
+H      4.16835952      1.55154933     -2.16037501
+H      5.05067786      0.58174070     -0.96742526 
+
+15
+-1671.6562783027966 13.367393 12.90766 -8.0723 -6.1637 -8.106 -0.2978 -1.787 -0.485 7.49855 1.06385 3.3352729944 4.5800180428 0.594800266
+C      0.90233736     -0.15514815      0.05908083
+C      2.38319066      0.00128566      0.11330491
+C      3.08142352      1.16220623      0.02749948
+C      2.56973144      2.52954535     -0.13827031
+C      3.64328381      3.37044848     -0.17430938
+C      4.87657452      2.58641174     -0.03446686
+C      4.54746683      1.26985939      0.08621560
+H      0.61519828     -0.81941366     -0.77242236
+H      0.37926034      0.80035584     -0.06199070
+H      0.53289477     -0.64119991      0.97713532
+H      2.95980040     -0.92295893      0.23556595
+H      1.52240735      2.80987072     -0.21696535
+H      3.60701773      4.45325421     -0.28807888
+H      5.88163868      3.00565695     -0.03026082
+H      5.22235430      0.42469606      0.20583258 
+
+17
+-1804.7142427123788 12.566692 13.35965 -8.5734 -6.3688 -8.435 0.8977 0.0502 1.434 8.04221 -0.74094 5.8057188416 11.306779284 0.317950534
+C      1.02054592     -0.07156597      0.29042580
+C      2.42557606      0.08776649     -0.20853294
+C      3.13479817      1.22591053     -0.21875877
+C      4.56600360      1.35991398     -0.73528693
+C      4.87509124      2.82217495     -0.53934569
+C      3.84610912      3.48861468      0.00232963
+C      2.66119155      2.59342670      0.26755508
+H      0.96489714     -0.83378129      1.08473891
+H      0.34811978     -0.41327494     -0.51378250
+H      0.61253514      0.86455615      0.69438881
+H      2.90178124     -0.81952745     -0.59870494
+H      4.65286287      1.06070939     -1.79499829
+H      5.26902550      0.71470860     -0.17896274
+H      5.83333353      3.26561901     -0.81384602
+H      3.84225921      4.55488313      0.23367321
+H      2.38658956      2.58497221      1.33817571
+H      1.75977036      2.93788384     -0.27122833 
+
+17
+-1808.7723844964685 13.369263 13.478 -7.9475 -5.9165 -7.865 0.9405 -0.5095 0.528 7.38402 0.06563 4.7381993816 4.7381993816 0.598138841
+C      0.95362868     -0.10806912     -0.20776468
+C      2.38315929      0.06050053      0.20899363
+C      3.09709667      1.20735122      0.19538045
+C      4.56130647      1.34046730      0.61604134
+C      4.86748142      2.86235954      0.57879781
+C      3.62009087      3.46316580     -0.01437058
+C      2.65475560      2.53957291     -0.20911455
+H      0.86321408     -0.83031561     -1.03610508
+H      0.49465408      0.83404689     -0.53398040
+H      0.34332451     -0.50820520      0.61888699
+H      2.88779616     -0.84756601      0.55806806
+H      5.20697846      0.79841489     -0.09194345
+H      4.73868499      0.90430863      1.60928892
+H      5.76410354      3.09880820     -0.01736493
+H      5.05673040      3.27177733      1.58671925
+H      3.51969711      4.52736749     -0.23272506
+H      1.66398767      2.75825521     -0.60768775 
+
+19
+-1947.3033093369365 12.660611 13.76137 -8.5982 -6.5188 -8.551 0.943 0.0147 1.556 7.98765 -0.85837 5.873588778 5.873588778 0.31558308
+C      2.51799776     -0.54914775      1.45692793
+C      2.61578145      0.00009858      0.02325912
+C      3.10576316      1.41709628     -0.04744871
+C      4.25423396      1.84728668     -0.59894864
+C      4.45754162      3.33262683     -0.43746533
+C      3.05761315      3.82615739      0.00832047
+C      2.34648279      2.57469946      0.57637938
+H      2.15651223     -1.58746257      1.45287354
+H      1.82354400      0.04299552      2.07039826
+H      3.50086159     -0.53231678      1.95036359
+H      1.61714371     -0.06101472     -0.44622192
+H      3.28212789     -0.64334624     -0.57275174
+H      4.98929553      1.19445261     -1.07560103
+H      5.22688666      3.53743361      0.33029866
+H      4.80369700      3.82610809     -1.35946848
+H      2.50604436      4.18781850     -0.87276707
+H      3.10523476      4.65553454      0.72758088
+H      1.27082248      2.55197550      0.33428479
+H      2.41682589      2.53053446      1.67873631 
+
+17
+-1808.932419313183 12.59205 13.19424 -8.0267 -6.0259 -7.95 0.9325 -0.5465 0.739 7.45988 -0.14545 4.461326245 7.1431930194 0.565987299
+C      2.45777660     -0.63452572     -1.37473744
+C      2.32609795      0.07161017     -0.01326567
+C      2.91377682      1.45031617      0.01271361
+C      2.26577034      2.63554061      0.17351759
+C      3.22500913      3.74057065      0.12629873
+C      4.47292393      3.24419510     -0.06086785
+C      4.38661883      1.74685671     -0.15217547
+H      1.99054757     -1.62955260     -1.34719763
+H      3.51203725     -0.76992452     -1.65724393
+H      1.97027406     -0.04854792     -2.16731196
+H      2.81153721     -0.55360296      0.75801394
+H      1.26229552      0.13328240      0.26584358
+H      1.19094316      2.75382573      0.31974698
+H      2.96128226      4.79353363      0.22803808
+H      5.39910789      3.81045583     -0.13981050
+H      4.77762842      1.37342204     -1.11605007
+H      4.99027306      1.24735469      0.62764800 
+
+17
+-1809.2309367774533 12.552942 13.25131 -8.1591 -6.1518 -8.124 1.0324 -0.4654 0.715 7.5593 -0.15813 4.5949955516 6.8917246142 0.602047458
+C      1.97572665     -0.40170347      1.40678436
+C      2.51516882      0.01124744      0.02710494
+C      3.07744206      1.40415368      0.00736914
+C      4.37952999      1.77522538     -0.11824323
+C      4.48666670      3.27151428     -0.06596360
+C      3.06274492      3.71806456      0.10593483
+C      2.26401119      2.62455127      0.14907757
+H      1.57105767     -1.42376254      1.38190992
+H      1.17184142      0.27069032      1.74057211
+H      2.77355055     -0.36606581      2.16259169
+H      1.70041165     -0.06144019     -0.71466041
+H      3.29316046     -0.69869744     -0.29396243
+H      5.23018066      1.10562486     -0.24180432
+H      4.94039129      3.68984720     -0.98348283
+H      5.12921924      3.61606688      0.76530013
+H      2.75096561      4.75881152      0.17635618
+H      1.17855113      2.62819204      0.26108597 
+
+17
+-1805.5382464576119 12.408021 13.01051 -8.2618 -6.2759 -8.239 0.8161 -0.7076 0.67 7.75967 -0.11508 4.6402008472 7.1920063076 0.633882189
+C      2.99328037     -1.25278008     -0.59987878
+C      2.43965417     -0.02647841      0.12703328
+C      3.35605736      1.21592810      0.04965288
+C      2.85431426      2.39669532      0.84037441
+C      2.78712073      3.48485750      0.03574048
+C      3.22311315      3.11123696     -1.31297286
+C      3.55153175      1.79611700     -1.32877075
+H      2.31163985     -2.10901124     -0.49502294
+H      3.97058569     -1.55276535     -0.19134004
+H      3.12267940     -1.06497620     -1.67544752
+H      2.28247900     -0.27125005      1.19014912
+H      1.45324944      0.24494274     -0.28187775
+H      4.35084997      0.92380453      0.44786526
+H      2.59179950      2.34542563      1.89614745
+H      2.46312166      4.48403730      0.32692591
+H      3.27185168      3.79697910     -2.15902437
+H      3.91882200      1.23056716     -2.18313376 
+
+19
+-1944.461703076118 12.454894 13.56816 -8.99 -6.8063 -8.938 0.9581 0.067 1.456 8.44407 -0.81294 6.1103152478 6.1103152478 0.298311291
+C      3.06285026     -1.15734048     -0.64552505
+C      2.54423491      0.03077639      0.16871579
+C      3.33964223      1.32050111     -0.04770681
+C      3.31784664      1.87522950     -1.50009816
+C      3.39499065      3.37003191     -1.30510615
+C      3.15542251      3.71879444     -0.03275708
+C      2.87782935      2.51405319      0.83256577
+H      2.49060973     -2.07137320     -0.43150860
+H      4.11983864     -1.36361014     -0.41479215
+H      2.99138043     -0.96769826     -1.72709024
+H      2.56444406     -0.22593802      1.24195288
+H      1.48428236      0.21916216     -0.08055960
+H      4.39684220      1.12032338      0.20533237
+H      2.37784484      1.60416815     -2.02025468
+H      4.13768902      1.47708976     -2.11851969
+H      3.58032330      4.06935165     -2.12258881
+H      3.11652920      4.74438495      0.33909893
+H      3.39861608      2.54430266      1.80303028
+H      1.79667357      2.44793087      1.06359101 
+
+19
+-1944.4352836517673 12.605544 13.64952 -8.9535 -6.8118 -8.918 1.0268 0.056 1.454 8.41377 -0.8015 6.0962180396 6.0962180396 0.315248599
+C      2.44819492     -0.48059271     -1.65623783
+C      2.46111681      0.02009723     -0.21040876
+C      3.30587622      1.28553390      0.01092277
+C      3.41382470      1.70240213      1.50322333
+C      3.44451740      3.24998083      1.51611223
+C      2.84160722      3.60758712      0.17902840
+C      2.77176582      2.54652852     -0.63757439
+H      1.86669191     -1.40889660     -1.75110305
+H      3.46908145     -0.68918785     -2.01266575
+H      2.00257345      0.25716746     -2.33994319
+H      2.85066601     -0.77650112      0.44658133
+H      1.42974648      0.22238735      0.12765218
+H      4.31793854      1.08274084     -0.39746039
+H      4.27967704      1.24930342      2.00596704
+H      2.50928708      1.35390935      2.02854879
+H      4.47657816      3.64037433      1.58752780
+H      2.89360354      3.68020492      2.36754219
+H      2.54687444      4.62411544     -0.08896961
+H      2.41652882      2.58065546     -1.66924309 
+
+19
+-1925.697274578979 13.198937 14.77379 -8.6926 -6.6059 -8.819 0.9921 0.1585 1.44 8.32793 -0.78343 6.1225030716 6.1225030716 0.401221641
+C      0.97437987      0.21896974     -1.00982723
+C      2.46558698      0.19872823     -0.86178837
+C      3.18408256      1.11823270     -0.19995734
+C      4.66108378      1.15388606     -0.05808302
+C      5.59088475      0.35419118     -0.94193234
+C      5.53088566      1.85609764     -1.09562181
+C      6.69022406      2.72613618     -0.67114146
+H      0.67769873      0.25789321     -2.07096446
+H      0.52844796      1.08442730     -0.49965919
+H      0.52055117     -0.69567590     -0.59440346
+H      2.98803596     -0.64076767     -1.33473837
+H      2.64809803      1.94313820      0.28769977
+H      5.00870492      1.30069740      0.97070182
+H      5.15644298     -0.25944784     -1.73148342
+H      6.48176962     -0.07276211     -0.47760134
+H      4.98132712      2.20435145     -1.97492602
+H      7.18414997      2.31511885      0.22239604
+H      6.36077863      3.74892554     -0.43086858
+H      7.44876724      2.79607984     -1.46635121 
+
+17
+-1773.8893608087587 13.093816 15.18476 -8.7534 -6.5831 -8.832 0.8847 0.0628 2.438 8.43293 -1.94504 4.0908188812 9.0302847366 0.417269818
+C      0.96413518      0.00353965     -0.00031372
+C      2.41979125      0.00408362      0.01222729
+C      3.63770553      0.00357008      0.02635189
+C      5.07302172      0.00333928      0.04064308
+C      5.86000267     -0.73735358     -1.03915645
+C      5.86755603      0.76602600     -1.01652918
+C      7.10835662      1.52873031     -0.61589693
+H      0.55905837      1.02721964      0.00221209
+H      0.56006960     -0.51699463      0.88137486
+H      0.57359974     -0.50762030     -0.89352554
+H      5.52626978     -0.00840118      1.03659866
+H      5.27863152     -1.24400765     -1.80901576
+H      6.76272355     -1.26032353     -0.71821186
+H      5.24689754      1.24700462     -1.77649163
+H      7.66490653      0.99468037      0.16902993
+H      6.85659625      2.52755683     -0.22881295
+H      7.78642811      1.65934046     -1.47326378 
+
+19
+-1922.514749038753 12.834726 14.06811 -9.4814 -7.267 -9.484 1.1521 0.1057 1.365 8.94246 -0.78575 6.657614249 6.657614249 0.456431881
+C      2.34316851      3.03243315     -0.46805040
+C      2.78212127      1.77143403     -0.55809778
+C      3.35615413      0.96930578      0.57300420
+C      4.80756676      0.54862475      0.33393716
+C      5.93126418      1.62341285      0.37792686
+C      6.83861426      0.58342912      1.08896555
+C      5.56083334     -0.21634193      1.45885347
+H      1.94612263      3.56316720     -1.33472186
+H      2.36290384      3.57461076      0.48126375
+H      2.74545135      1.26678443     -1.53176959
+H      2.75013953      0.05573386      0.71894231
+H      3.29217865      1.54756117      1.51107285
+H      4.87906323     -0.01954836     -0.60994006
+H      5.65587038      2.44819043      1.05411408
+H      6.27568077      2.05153524     -0.57327190
+H      7.46286376      0.03390013      0.36921374
+H      7.47791162      0.93602970      1.90978357
+H      5.59725076     -1.31348645      1.40211856
+H      5.18002104      0.07343414      2.45106549 
+
+17
+-1766.8206257094193 12.324297 13.77303 -9.8904 -7.5498 -9.786 0.9492 0.0553 2.313 9.42218 -1.94957 4.3656338502 10.4825575518 0.398656565
+C      3.57137454     -1.09295516     -2.44511181
+C      3.58645937     -0.61464061     -1.32895079
+C      3.62805604     -0.00866037     -0.00327961
+C      4.37419670      1.33029177      0.03096474
+C      3.74869088      2.57121573     -0.66264700
+C      4.26268097      3.43408286      0.52153249
+C      4.38194751      2.13351445      1.36099269
+H      3.55212233     -1.52225061     -3.42567325
+H      4.10446071     -0.71152690      0.70224920
+H      2.59644847      0.14343606      0.36033792
+H      5.40511364      1.18147154     -0.32803544
+H      2.64929595      2.50626756     -0.66256277
+H      4.08653584      2.81906217     -1.67742089
+H      5.25034556      3.86745112      0.30775009
+H      3.60458204      4.22754787      0.90015977
+H      5.24756884      2.01861328      2.02791074
+H      3.46269060      1.94620923      1.93829390 
+
+19
+-1923.5424000905796 12.944941 14.2853 -8.8674 -6.7855 -8.9 1.5554 0.1302 1.428 8.37374 -0.76371 6.1488872924 6.1488872924 0.374346527
+C      0.89886918      1.73614307      1.28353238
+C      2.38841083      1.57896713      1.25660459
+C      3.12023355      1.35276596      0.15478647
+C      4.61391296      1.19365493      0.11826177
+C      5.54699091      2.27615900      0.75384784
+C      6.50380688      1.14126352      1.20092402
+C      5.32638304      0.14646016      1.03618695
+H      0.60812423      2.71761947      1.69230616
+H      0.42885470      0.97817378      1.93121478
+H      0.46526382      1.64269706      0.27781663
+H      2.89491379      1.65985748      2.22713858
+H      2.59124794      1.27584631     -0.80313031
+H      4.93478981      1.02255839     -0.92136416
+H      5.05479319      2.75184512      1.61488162
+H      5.93659284      3.06026720      0.08946821
+H      7.29254032      0.96083531      0.45595663
+H      6.96954704      1.22449500      2.19232158
+H      5.53204304     -0.84444747      0.60745878
+H      4.77133191      0.01865858      1.97720748 
+
+19
+-1925.0092669759067 12.868915 13.92995 -9.0142 -6.9268 -9.06 0.9134 0.0528 1.444 8.4152 -0.77547 6.3323245794 6.3323245794 0.441482271
+C      0.97007115      0.22404121      0.76944084
+C      2.32254033      0.03322747      0.13143277
+C      2.64835722     -1.11950229     -0.47847793
+C      3.30521421      1.17174537      0.19410503
+C      2.90988311      2.60597288     -0.28547926
+C      3.81211772      3.18362464      0.83549004
+C      3.70246242      1.81770948      1.56093901
+H      0.42171607      1.06074323      0.30804516
+H      1.05758931      0.45784860      1.84230080
+H      0.35481263     -0.67912532      0.66855987
+H      1.94973856     -1.95723684     -0.53200360
+H      3.62622928     -1.25767711     -0.94459592
+H      4.22701820      0.87069501     -0.32982035
+H      1.84895400      2.81699993     -0.08513257
+H      3.13234286      2.86682282     -1.32952562
+H      4.83487706      3.36605325      0.47418459
+H      3.46202608      4.07803811      1.36885662
+H      4.59025798      1.41610979      2.06832917
+H      2.85858180      1.81307977      2.26641136 
+
+17
+-1773.5135905697089 12.858172 14.78436 -9.2017 -6.9785 -9.086 0.8746 0.0333 2.457 8.63076 -2.017 4.1240719264 9.9614443938 0.771911858
+C      0.94151576     -0.00493417     -0.01201774
+C      2.39714265     -0.01467872      0.00053124
+C      3.61480261     -0.02177040      0.00684921
+C      5.06333615     -0.02695686      0.04632686
+C      5.81875168      1.08605011      0.84709478
+C      6.85364221      0.01499274      1.27843518
+C      5.80964231     -1.07845263      0.93407207
+H      0.54452383      0.88784299      0.49470816
+H      0.53227498     -0.88812146      0.50180147
+H      0.55031905     -0.00643278     -1.04074463
+H      5.46708121     -0.07001039     -0.97955160
+H      5.20755149      1.42525577      1.69508620
+H      6.16909774      1.95984943      0.28160559
+H      7.71305299     -0.01619086      0.59266509
+H      7.22786163      0.05489343      2.30971214
+H      6.15276370     -1.99748569      0.44047430
+H      5.19609000     -1.34377051      1.80629167 
+
+19
+-1920.9466598343238 12.968088 14.50094 -9.4868 -7.279 -9.494 1.3254 0.1247 1.366 8.95848 -0.79497 6.6676199192 6.6676199192 0.467988565
+C      2.12506336     -0.46601283      1.58008993
+C      2.51288477      0.16861777      0.46771900
+C      3.28774274      1.45255576      0.42606330
+C      4.64384113      1.31302018     -0.29295445
+C      5.40837362      2.61728433     -0.37230251
+C      6.26840576      3.06564299      0.78748893
+C      6.91228760      2.61514239     -0.50532286
+H      1.56818356     -1.40340874      1.54026224
+H      2.34992858     -0.06358131      2.57171485
+H      2.26665733     -0.27405060     -0.50576096
+H      3.44797104      1.82865642      1.44958816
+H      2.69204576      2.21900429     -0.10307104
+H      4.47837799      0.91769792     -1.31073845
+H      5.25568827      0.56102191      0.23399633
+H      4.88831877      3.41683929     -0.90922470
+H      6.34176558      2.39687010      1.64745768
+H      6.29801611      4.12674966      1.03679044
+H      7.37890129      3.36948077     -1.13961848
+H      7.41658674      1.64719972     -0.50872742 
+
+15
+-1623.587787413934 12.650103 13.46804 -8.8876 -6.8977 -8.716 0.644 -0.9486 0.576 8.17272 -0.00837 4.0667036042 10.9374125914 0.438849199
+C      1.81775614     -0.53058156     -1.25416244
+C      2.17804480      0.04954897     -0.08940950
+C      1.59668682     -0.36756229      1.14759667
+C      1.14431668     -0.69487325      2.22914042
+C      3.18677702      1.15288811      0.02214472
+C      3.58710240      2.00488473     -1.15392563
+C      2.73531972      2.60049016     -0.05797696
+H      2.27911778     -0.23336304     -2.19564646
+H      1.06046579     -1.31316415     -1.28044566
+H      0.73166636     -0.99129240      3.17154893
+H      3.96319931      0.95744995      0.76632981
+H      3.10788888      1.82273109     -2.11576493
+H      4.63238166      2.30717660     -1.22181774
+H      3.18540900      3.31487053      0.63162992
+H      1.68280765      2.77600655     -0.28279114 
+
+17
+-1783.4909961639726 14.139195 14.33402 -8.2708 -6.3225 -8.193 0.7013 -0.815 0.342 7.71505 0.23155 4.9586712868 4.9586712868 0.812525363
+C      1.51874497     -0.51136206     -0.25057119
+C      2.75721607     -0.19337161      0.17501598
+C      3.41664280      1.07217805     -0.08257668
+C      4.66056647      1.37383554      0.34959477
+C      5.40792163      2.62514579      0.09334757
+C      6.21091912      2.78928203     -1.19628270
+C      4.98860250      3.63630192     -0.94461434
+H      1.06939488     -1.47841154     -0.02514777
+H      0.92314736      0.19074593     -0.83916705
+H      3.32371552     -0.92665093      0.76068142
+H      2.84933315      1.81167796     -0.65915918
+H      5.19600802      0.62278021      0.94416667
+H      5.90857039      3.03390045      0.97662824
+H      6.12314229      1.98884258     -1.93155408
+H      7.19592711      3.25252348     -1.12929527
+H      5.13032445      4.69097143     -0.70712406
+H      4.10159328      3.42503077     -1.54236232 
+
+17
+-1782.0715268215058 13.143963 13.55576 -8.6468 -6.648 -8.548 0.5894 -0.9314 0.304 7.95374 0.22713 5.2379993462 5.2379993462 0.714666608
+C      2.64631813     -1.32682776      0.27215564
+C      2.15696671     -0.13486353     -0.11490088
+C      2.90735837      1.12475765     -0.17663277
+C      2.30044656      2.24202146     -0.63320618
+C      4.32900947      1.11515321      0.28873486
+C      5.44456668      0.71315130     -0.66145041
+C      5.34138078      2.13556544     -0.16672243
+H      2.01284597     -2.21380491      0.29232526
+H      3.68858278     -1.45278764      0.56979162
+H      1.10553249     -0.06785916     -0.41453754
+H      1.26499556      2.21646177     -0.97785517
+H      2.81562985      3.20180862     -0.67167926
+H      4.45292186      0.75457223      1.31427310
+H      5.16213171      0.52172250     -1.69736813
+H      6.24605331      0.07986924     -0.27917182
+H      6.07205792      2.48304532      0.56407270
+H      5.02618186      2.89282426     -0.88457860 
+
+15
+-1628.920452918472 13.874585 14.69039 -8.3499 -6.3995 -8.282 0.7545 -0.8119 0.605 7.83584 -0.05078 3.7796636156 8.767484011 0.507554623
+C      0.91894846      0.14275172     -0.23966288
+C      2.19960295      0.18315923      0.18223580
+C      3.05843484      1.30440553      0.09296806
+C      3.83805890      2.24469260      0.03636619
+C      4.73541884      3.35634852     -0.03524889
+C      4.68510716      4.30506783     -1.23146987
+C      4.20270904      4.78097657      0.10602509
+H      0.32765184     -0.76609020     -0.13201104
+H      0.44230159      1.00978819     -0.69833222
+H      2.63635119     -0.71385577      0.63613693
+H      5.72852057      3.17971148      0.38529315
+H      3.94136112      4.08422489     -1.99616050
+H      5.64080359      4.67369942     -1.60422287
+H      4.82173739      5.48167175      0.66632195
+H      3.12889253      4.88564824      0.25636110 
+
+17
+-1765.3486536249434 12.467602 14.20824 -9.8695 -7.544 -9.8 0.9689 0.0836 2.322 9.44345 -1.95418 4.3656958432 10.4234162298 0.420913808
+C      0.87428386      0.18686348     -0.11361766
+C      2.08047460      0.11650510     -0.23573619
+C      3.53124426      0.06101021     -0.35988274
+C      4.25294715      1.19797591      0.39633788
+C      5.75703794      1.11305972      0.26090189
+C      6.65001003      1.70754512      1.32303841
+C      6.55123586      0.20562243      1.17383423
+H     -0.19018425      0.24104926     -0.01198604
+H      3.80494788      0.09983190     -1.42834631
+H      3.89392322     -0.91171527      0.01321495
+H      3.97253181      1.15326123      1.46127077
+H      3.88954961      2.16710908      0.01780440
+H      6.12812996      1.19213836     -0.76572859
+H      6.16761567      2.16306278      2.18953792
+H      7.57192671      2.19782090      1.00930719
+H      7.40722545     -0.32983927      0.76222476
+H      6.00183025     -0.34203094      1.94215513 
+
+15
+-1625.0670102528711 13.376286 14.00996 -8.6224 -6.6264 -8.417 0.6402 -0.9111 0.549 8.00135 0.03323 4.0791641972 11.211558036 0.413455523
+C      0.96891926      0.43636944     -1.10847166
+C      2.18222055      0.40564812     -1.00173348
+C      3.59336035      0.32866126     -0.90934505
+C      4.34680198      1.11540957     -0.10826026
+C      5.82140390      1.10182579     -0.01330506
+C      6.70793275      0.38201211     -0.99860586
+C      6.65928948      1.88818742     -1.02178479
+H     -0.09749048      0.47243491     -1.19445937
+H      4.07664854     -0.42799435     -1.53588877
+H      3.83456705      1.84667425      0.52578677
+H      6.19938695      1.16054578      1.01150537
+H      6.23974950     -0.14742029     -1.82871891
+H      7.60378334     -0.10004602     -0.60707027
+H      7.51408010      2.44928682     -0.64299387
+H      6.11911672      2.36167518     -1.84204479 
+
+13
+-1474.24557090723 13.916815 14.58441 -8.7996 -6.7622 -8.467 0.822 -0.7532 0.995 8.05091 -0.61056 3.1657593352 7.6225228954 2.018882845
+C      0.98308088      0.03132193     -0.06710417
+C      2.20469316      0.01516877     -0.04246700
+C      3.56225823     -0.00273031     -0.01557825
+C      4.78777328     -0.01732446      0.00614637
+C      6.21423381     -0.03394482      0.03037665
+C      6.99080313     -0.74702721     -1.07563777
+C      7.00732015      0.75042560     -1.01399695
+H     -0.08673212      0.04502940     -0.08793208
+H      6.65972920     -0.08008082      1.02751904
+H      6.39900680     -1.22036101     -1.85812099
+H      7.88175029     -1.29502238     -0.76928556
+H      7.90989239      1.25153483     -0.66449779
+H      6.42673081      1.29927049     -1.75440151 
+
+19
+-1924.0294880837077 13.180931 14.79861 -9.0062 -6.8936 -8.994 1.0215 0.1812 1.452 8.46792 -0.80908 6.2872308712 6.2872308712 0.440097056
+C      1.27792571      0.43715202      1.62014521
+C      2.65145385      0.51585941      1.02597528
+C      3.05433734      1.41870329      0.12131861
+C      4.43761506      1.49968201     -0.46158637
+C      5.11736712      2.83219885     -0.19122945
+C      6.21076769      3.32912426     -1.10641761
+C      4.86215179      4.01473629     -1.09732870
+H      0.80800277     -0.53804598      1.41311230
+H      0.62085135      1.22388664      1.22358456
+H      1.31152922      0.53973257      2.71700248
+H      3.37371343     -0.23600110      1.36987282
+H      2.34073020      2.17859285     -0.22304772
+H      4.38763961      1.35484759     -1.55689804
+H      5.05540526      0.67622681     -0.06481549
+H      5.23786832      3.06675550      0.86997860
+H      6.45987735      2.71402450     -1.97327371
+H      7.05950898      3.85229129     -0.66488496
+H      4.78982249      5.00724575     -0.65159708
+H      4.21163244      3.85839743     -1.96011074 
+
+19
+-1925.4081170104603 12.960798 14.26564 -8.5584 -6.5374 -8.596 0.9327 0.0613 1.509 8.02043 -0.79949 5.9610361038 5.9610361038 0.372418803
+C      0.86151559     -0.15040021      0.03624083
+C      2.34981810      0.02593630      0.08198752
+C      3.05697326      1.16731777     -0.02862227
+C      2.45347148      2.53965091     -0.19213435
+C      4.55382605      1.17282523      0.01012815
+C      5.40221800     -0.01358256     -0.36769400
+C      5.35315048      1.18871327     -1.28330804
+H      0.57622432     -0.85734332     -0.76047439
+H      0.31772041      0.78650483     -0.14013908
+H      0.48856877     -0.58313792      0.97930015
+H      2.91853612     -0.89893844      0.22688548
+H      1.35723709      2.53379252     -0.19381512
+H      2.79721862      3.00387511     -1.13081188
+H      2.78584078      3.20446482      0.62257625
+H      4.97118713      1.81311606      0.79585050
+H      4.90056505     -0.91898019     -0.71025359
+H      6.31325470     -0.19169969      0.20446007
+H      6.22797007      1.83685100     -1.34766045
+H      4.79035398      1.08039451     -2.21212576 
+
+19
+-1923.7036060663706 12.880719 14.11174 -9.14 -7.0109 -9.13 1.0965 0.0217 1.448 8.49564 -0.80078 6.3938712298 6.3938712298 0.446835539
+C      2.54696592     -1.04309343     -1.38839647
+C      2.55641284     -0.72599970      0.08388580
+C      1.86876191     -1.46118592      0.97176276
+C      3.37873904      0.46720952      0.52398751
+C      4.87125045      0.32691901      0.26482911
+C      5.49090905      0.81461626     -1.02541736
+C      5.75009067      1.55579388      0.26644622
+H      2.18507690     -0.18106351     -1.97300982
+H      1.90389420     -1.90479175     -1.61024268
+H      3.56222226     -1.26294542     -1.75292542
+H      1.27197575     -2.32109666      0.66020027
+H      1.87984504     -1.22306519      2.03758574
+H      3.21111410      0.64143562      1.59937126
+H      3.01929487      1.37108648     -0.00280814
+H      5.31651565     -0.57461867      0.69529374
+H      4.83197279      1.28894959     -1.75495336
+H      6.30664683      0.23743461     -1.46233644
+H      6.74148656      1.48374256      0.71428505
+H      5.26187520      2.52267272      0.40196224 
+
+19
+-1921.0634109549474 12.849422 14.14687 -9.5336 -7.3304 -9.433 1.2175 0.1115 1.384 8.86059 -0.78905 6.6340321118 6.6340321118 0.452946939
+C      1.19319390      0.23174371      0.29537557
+C      2.62731090     -0.00128613     -0.21372355
+C      2.61669649     -0.66285541     -1.56744440
+C      3.11525999     -1.87257766     -1.84472826
+C      3.40461075      1.31016299     -0.25902383
+C      4.08900022      1.82587074      0.98570672
+C      4.90969691      1.30926962     -0.17661475
+H      1.20672686      0.72585158      1.27773589
+H      0.64693537     -0.71732995      0.38708739
+H      0.63232638      0.87754330     -0.39839006
+H      3.14538471     -0.67597294      0.49245117
+H      2.15259636     -0.07953472     -2.37318620
+H      3.58347615     -2.48661664     -1.07060582
+H      3.07318206     -2.29302095     -2.85071381
+H      2.96036615      2.07058050     -0.90969839
+H      4.03664807      1.20522710      1.88270869
+H      4.08097555      2.89923665      1.17874705
+H      5.46483186      2.02895320     -0.77884564
+H      5.40321129      0.34271503     -0.06004776 
+
+19
+-1927.1964381684966 13.480689 14.65631 -8.212 -6.2352 -8.392 0.9239 0.0704 1.48 7.88272 -0.78305 5.8252714338 5.8252714338 0.44291099
+C      0.90614863     -0.07530165     -0.41852185
+C      2.32503107     -0.35208598      0.00575281
+C      2.46493691     -1.35276032      1.12258172
+C      3.35947259      0.26766203     -0.59837120
+C      4.80193246      0.11889211     -0.32112940
+C      5.79425652      0.20517436     -1.47306749
+C      5.72061049      1.32376622     -0.47176100
+H      0.85933871      0.65057126     -1.24140260
+H      0.31003720      0.31893081      0.42223404
+H      0.40304244     -1.00029763     -0.74792691
+H      1.90171681     -1.02406254      2.01239808
+H      3.50478494     -1.52213674      1.42637700
+H      2.03678723     -2.32569866      0.82736131
+H      3.12051634      0.97548295     -1.40292264
+H      5.07690986     -0.57541226      0.47448895
+H      5.38429880      0.38190125     -2.46841894
+H      6.65680959     -0.46156635     -1.44929656
+H      6.53290874      1.43407530      0.24754854
+H      5.26161068      2.26268583     -0.78488386 
+
+17
+-1764.9098459779043 12.352478 13.86608 -9.8507 -7.5677 -9.722 0.9777 0.0689 2.346 9.27006 -1.91086 4.3483502018 10.3909938908 0.421902492
+C      1.14460414      0.23572891      0.05980694
+C      2.65567316     -0.01392709     -0.12156257
+C      2.91843163     -0.81393950     -1.32067234
+C      3.12217685     -1.46482332     -2.32557159
+C      3.44193108      1.29496117     -0.15090154
+C      3.83068469      1.95739351      1.14911162
+C      4.88773370      1.32447728      0.27015314
+H      0.96698735      0.80637336      0.98186881
+H      0.59362866     -0.71217300      0.11746506
+H      0.74620992      0.81090331     -0.78781086
+H      3.01430953     -0.59531258      0.74900762
+H      3.31280204     -2.03685109     -3.21033686
+H      3.16223205      1.95822220     -0.97390220
+H      3.57146088      1.44366004      2.07707274
+H      3.78733314      3.04515836      1.20971248
+H      5.57029320      1.97790266     -0.27328604
+H      5.33300798      0.38681579      0.60712561 
+
+17
+-1771.0829445520508 12.709656 14.86731 -9.391 -7.057 -9.181 0.889 0.0574 2.475 8.73611 -2.01648 4.1492410844 9.9490829896 0.385911802
+C      0.89776042     -0.10150950      0.00037062
+C      2.35209804     -0.03257066     -0.00779099
+C      3.56723555      0.01791600     -0.01027191
+C      5.02628568      0.10407864     -0.02172304
+C      5.55205650      1.53090076      0.06485967
+C      5.72019041      2.19144830      1.40911555
+C      6.93780191      1.78231348      0.60797992
+H      0.45194741      0.90455754      0.01861238
+H      0.52904070     -0.64492924      0.88351102
+H      0.51684777     -0.61872472     -0.89322379
+H      5.41346492     -0.37480455     -0.93856394
+H      5.43561463     -0.48083312      0.82110460
+H      5.22462901      2.17760402     -0.75253000
+H      5.47214022      1.60094554      2.29286189
+H      5.49126828      3.25370946      1.49700690
+H      7.54067967      2.56419608      0.14513720
+H      7.50933888      0.92068197      0.95853393 
+
+19
+-1921.7584135719385 13.1533 14.72098 -8.9294 -6.81 -8.892 1.2697 -0.0286 1.432 8.35503 -0.75985 6.1519497466 6.1519497466 0.400828929
+C      2.58016063     -0.96796109      1.11739230
+C      3.01389303     -0.23461219     -0.16124459
+C      3.30778991      1.21870952      0.07062662
+C      4.48709302      1.81579429     -0.15736972
+C      4.75833064      3.27052191      0.05123023
+C      4.98285116      3.83125571      1.44524312
+C      6.13223828      3.73715972      0.47172853
+H      2.33981561     -2.02045735      0.90881996
+H      1.68687700     -0.50100945      1.55922056
+H      3.37807622     -0.94198546      1.87372870
+H      2.20801058     -0.32612784     -0.91173937
+H      3.90096734     -0.72407649     -0.59519817
+H      2.48104777      1.82098710      0.47112317
+H      5.31347952      1.20954388     -0.55191424
+H      4.22650846      3.93907714     -0.63270315
+H      4.95798826      3.12219875      2.27333136
+H      4.57537906      4.81684201      1.67343123
+H      6.52405532      4.65798591      0.03892148
+H      6.88282819      2.96596392      0.65558200 
+
+19
+-1923.1000854171125 12.80324 14.05585 -9.0069 -6.9028 -8.999 1.1876 0.0704 1.454 8.34705 -0.78139 6.2746090964 6.2746090964 0.39085844
+C      2.28722282     -0.35990770      1.74529173
+C      2.21359601     -0.02016704      0.24758189
+C      2.92954658      1.26217331     -0.12375179
+C      2.25259249      2.35406083     -0.51494887
+C      4.42129892      1.22197040     -0.03238559
+C      5.23478242      0.73782524     -1.22417235
+C      5.31613534      2.17890048     -0.77589823
+H      1.73620495     -1.28669963      1.96003876
+H      1.84816829      0.44611916      2.35103074
+H      3.32351027     -0.50824281      2.08144112
+H      1.15806810      0.05885410     -0.05482947
+H      2.65086640     -0.85321818     -0.32985358
+H      1.16439994      2.34001493     -0.60333298
+H      2.75749486      3.29116541     -0.75438358
+H      4.80491868      0.88181347      0.93437261
+H      4.68627999      0.53385960     -2.14508096
+H      6.08566720      0.08113759     -1.03824493
+H      6.22636851      2.51407383     -0.27779939
+H      4.85019824      2.92741700     -1.41695512 
+
+17
+-1771.5377868036317 12.998817 14.94445 -8.809 -6.6525 -8.84 0.9305 0.0623 2.461 8.42634 -1.95093 4.0809743928 11.8024009204 0.432277044
+C      0.97121994     -0.01049293      0.01027272
+C      2.50987488     -0.01838510     -0.00770412
+C      3.09370539      1.31898405      0.00732274
+C      3.55805042      2.44534173      0.02078792
+C      4.11258619      3.76989607      0.03830675
+C      3.88792123      4.71229383     -1.13836455
+C      3.19866904      4.98264927      0.16936503
+H      0.58209113     -1.03844584      0.00167175
+H      0.57367463      0.51687096     -0.86764912
+H      0.59403957      0.49601977      0.90907202
+H      2.86488987     -0.56397221     -0.89891031
+H      2.88478775     -0.58424430      0.86223901
+H      5.08339855      3.85877675      0.53274472
+H      3.28716307      4.32799261     -1.96204561
+H      4.72178117      5.35088933     -1.43043827
+H      3.55546300      5.80811743      0.78570221
+H      2.12949418      4.78337858      0.23451712 
+
+13
+-1467.4782020254452 12.646755 13.28796 -9.2085 -7.1785 -8.866 0.4455 -1.1691 0.423 8.34139 0.14683 4.0671499538 6.011647189 0.456615934
+C      0.97955240      0.29907359      0.25686208
+C      2.29407499      0.12269291      0.01872985
+C      2.90825968     -1.27442332     -0.07312959
+C      3.42111207     -1.59695173     -1.40065226
+C      3.83626423     -1.86870763     -2.50763895
+C      3.18580797      1.22099001     -0.14087230
+C      3.98874117      2.12548808     -0.27220230
+H      0.54955978      1.29706362      0.33314603
+H      0.31402655     -0.55658120      0.37636771
+H      2.14764114     -2.01499941      0.21945248
+H      3.72974476     -1.35096568      0.65930196
+H      4.20753110     -2.10386974     -3.48396210
+H      4.68484415      2.93006048     -0.39285261 
+
+15
+-1627.9829803161851 14.183384 14.57217 -8.6333 -6.7099 -8.395 0.5811 -1.0045 0.208 7.90625 0.35789 4.3565828722 5.0564342478 0.811048872
+C      1.12937747     -0.55665178     -0.47876658
+C      2.40585990     -0.29261992     -0.14106353
+C      3.02692564      1.01408109     -0.25486389
+C      4.30115102      1.27926562      0.09224769
+C      4.94093709      2.64191544     -0.00689095
+C      6.17518339      2.63632608     -0.79083230
+C      7.20190621      2.60922276     -1.43742627
+H      0.70789434     -1.55640393     -0.37565800
+H      0.47255935      0.22452269     -0.86858610
+H      3.03580511     -1.10082988      0.24671771
+H      2.40054852      1.82316460     -0.65049108
+H      4.93743849      0.47491758      0.47560758
+H      5.17530709      3.01461825      1.00756374
+H      4.22810036      3.36054189     -0.44331782
+H      8.10418601      2.59451950     -2.01370020 
+
+15
+-1626.3002606872537 13.19007 13.44212 -8.8127 -6.8619 -8.663 0.463 -1.1154 0.19 8.09044 0.35501 4.3496520548 5.2552581974 0.750498716
+C      2.60181395     -1.09564247     -0.25886863
+C      2.05190469      0.13084341     -0.20697358
+C      2.76950631      1.39495936     -0.04765072
+C      2.09900916      2.56412737     -0.00265347
+C      4.28679490      1.37662559      0.10079262
+C      5.00408738      1.01154665     -1.11878239
+C      5.60596051      0.72275845     -2.13231103
+H      1.97724881     -1.98196556     -0.37111883
+H      3.68006767     -1.25558564     -0.21200461
+H      0.96340264      0.22435251     -0.28297456
+H      1.01179188      2.59246229     -0.09497784
+H      2.61444736      3.51731598      0.12225225
+H      4.56485268      0.67391042      0.90585927
+H      4.62411258      2.37218156      0.42856622
+H      6.13459948      0.46944009     -3.02824470 
+
+17
+-1776.1556077139905 13.465138 14.03522 -9.4508 -7.3799 -9.248 1.1464 -0.4903 0.776 8.71913 -0.35915 6.2062556146 6.2062556146 0.702682263
+C      2.28548975     -1.00353526      1.92969781
+C      2.96317994     -0.51852778      0.88348024
+C      3.58724097      0.86428077      0.77990307
+C      3.54818012      1.63524039      2.07610874
+C      2.86791449      2.76928322      2.27191382
+C      5.01937438      0.73644231      0.29609164
+C      5.47204280      1.18314091     -0.87967856
+H      1.86723774     -2.01068346      1.90752621
+H      2.11386088     -0.41076667      2.83057806
+H      3.10595243     -1.14367294     -0.00464567
+H      3.02337072      1.42934045      0.01432794
+H      4.14005157      1.21283281      2.89648998
+H      2.26641342      3.21886984      1.47775830
+H      2.88950568      3.28837733      3.23129339
+H      5.70246758      0.22350871      0.98271562
+H      4.81615028      1.69846278     -1.58607644
+H      6.51391723      1.05242660     -1.17555414 
+
+15
+-1618.7581085725258 13.023849 13.86268 -9.5743 -7.4707 -9.251 1.1545 -0.498 0.813 8.86378 -0.44707 4.3169197508 10.710840575 0.539286214
+C      1.79808199     -0.97226028     -0.59767957
+C      2.69645724     -0.46045973      0.24725158
+C      3.12132900      0.99988648      0.25771525
+C      2.71813539      1.66415721      1.56532723
+C      1.84259847      2.66831254      1.65532829
+C      4.57004460      1.11285683      0.05153689
+C      5.77338449      1.18828807     -0.09015395
+H      1.51900582     -2.02581095     -0.55756293
+H      1.31183126     -0.35688189     -1.35845470
+H      3.17834713     -1.09498627      0.99749856
+H      2.60621059      1.51875582     -0.56983569
+H      3.19535707      1.26050751      2.46370902
+H      1.36160960      3.09006595      0.76948773
+H      1.57796448      3.10403028      2.61946944
+H      6.83229288      1.26369844     -0.22988715 
+
+13
+-1459.590416092389 12.178971 13.24618 -9.998 -7.7415 -9.509 1.4125 -0.2109 1.03 9.09005 -0.44948 4.313100982 6.5915793054 0.253317129
+C      1.69439188     -0.58108977      1.24149776
+C      2.47524230     -0.15532917      0.24822922
+C      3.11949399      1.22880650      0.16296018
+C      2.82333316      2.09512864      1.30839839
+C      2.56252270      2.81215842      2.25019968
+C      4.56863765      1.10693367     -0.06270665
+C      5.75547502      0.97959725     -0.27419921
+H      1.26502238     -1.58291988      1.22052288
+H      1.46471972      0.05580938      2.09765199
+H      2.71003321     -0.79935192     -0.60312062
+H      2.69674134      1.72159006     -0.73669823
+H      2.34447719      3.45482002      3.07859417
+H      6.80670946      0.87510681     -0.44928956 
+
+13
+-1469.8620768618973 13.293238 14.53562 -9.0109 -6.8888 -8.597 0.6022 -0.9938 0.52 8.1613 0.03878 3.834081071 5.9644829146 0.521398077
+C      0.90889395      0.00434990     -0.00000316
+C      2.25451090      0.06997869      0.00000349
+C      3.00742042      1.27159237      0.00000225
+C      3.69067481      2.28070270      0.00000116
+C      4.50993949      3.49236634     -0.00000013
+C      3.73746847      4.73711281     -0.00000027
+C      3.11717141      5.77845986     -0.00000040
+H      0.40082234     -0.95967860      0.00001165
+H      0.29503176      0.90560543      0.00001776
+H      2.83497410     -0.85904405     -0.00000109
+H      5.17788916      3.48261730     -0.88024860
+H      5.17788986      3.48261816      0.88024783
+H      2.56404334      6.69539908     -0.00000050 
+
+17
+-1784.5286385954528 14.740994 14.86447 -8.4408 -6.5223 -8.312 0.6802 -0.8812 0.266 7.78522 0.3211 5.0038641838 5.0038641838 0.871808144
+C      1.47448189      0.93241717      1.75736049
+C      2.15114108      0.74991538      0.61911789
+C      3.11490791      1.74355589      0.01892742
+C      4.48731898      1.16553325     -0.18517554
+C      5.62313266      1.66047376      0.34673915
+C      6.93827545      1.08429115      0.13756431
+C      8.07746784      1.56697090      0.66970911
+H      0.78712781      0.17644166      2.13964194
+H      1.58481677      1.84629014      2.34677852
+H      2.01703177     -0.18336650      0.06007300
+H      3.16930076      2.64537207      0.64863329
+H      2.71644768      2.06087789     -0.96446737
+H      4.54860832      0.26783308     -0.81269257
+H      5.56980433      2.55356439      0.98144465
+H      6.98286030      0.19358415     -0.49967062
+H      8.07479923      2.45195192      1.31064495
+H      9.04045722      1.09222370      0.48220135 
+
+15
+-1626.431366409767 14.137076 14.56863 -8.8746 -6.8767 -8.528 0.5009 -1.0921 0.373 8.06408 0.18605 4.0854998818 5.7428703382 0.564943354
+C      1.27711838     -0.23094502      0.88743392
+C      2.18493373     -0.08697458     -0.08398262
+C      3.18554826      1.03940591     -0.16919790
+C      4.60191429      0.54209412     -0.10104937
+C      5.51176904      0.70121700     -1.08557660
+C      6.84642208      0.22776455     -1.03325066
+C      8.00018817     -0.16223364     -1.03014337
+H      0.58087044     -1.07062532      0.89697520
+H      1.19697087      0.49077213      1.70468478
+H      2.24236332     -0.83287053     -0.88424846
+H      3.00027640      1.74437131      0.65981141
+H      3.04135031      1.59668123     -1.11061985
+H      4.89001104      0.00293493      0.80666258
+H      5.22277745      1.23505874     -1.99864460
+H      9.01256622     -0.51001084     -1.01572446 
+
+17
+-1782.792549641811 13.813383 13.94124 -8.6867 -6.7295 -8.564 0.4837 -1.066 0.218 7.93719 0.32226 5.1984478122 5.1984478122 0.690805316
+C      1.98717341      0.37270087      1.51307740
+C      3.04215795      1.13217463      1.19887170
+C      3.79371549      1.04819312     -0.10641779
+C      5.28748852      0.84227726      0.07967244
+C      5.84227998     -0.37679518     -0.08956539
+C      6.13309109      1.97748043      0.45523454
+C      5.74435704      3.25864066      0.59542462
+H      1.47649183      0.47627184      2.47154923
+H      1.59726881     -0.37857637      0.82110542
+H      3.40840524      1.86736633      1.92264181
+H      3.63036475      1.97730649     -0.68160615
+H      3.38309431      0.22598972     -0.71118935
+H      5.24417130     -1.24313452     -0.37581066
+H      6.91247152     -0.53520845      0.05697743
+H      7.18695666      1.73216310      0.62597590
+H      4.71329390      3.58049439      0.43823220
+H      6.46140821      4.03262567      0.86920664 
+
+15
+-1625.060305927416 13.245696 13.7441 -9.0368 -7.0405 -8.799 0.5502 -1.0566 0.471 8.22558 0.10407 4.061347409 5.971723697 0.369159709
+C      1.24101204     -0.47105533      0.64480893
+C      2.18969765      0.03942771     -0.14674263
+C      3.23851830      1.02101390      0.30518697
+C      4.66030720      0.54951088      0.02550734
+C      5.53985830      0.29204051      1.01484526
+C      5.02093761      0.39494929     -1.34581697
+C      5.27187773      0.28734249     -2.53220013
+H      0.49890300     -1.17337621      0.26267784
+H      1.17253263     -0.20221517      1.70222804
+H      2.23318750     -0.25438276     -1.20070970
+H      3.13098607      1.22225745      1.38113490
+H      3.08817508      1.97684529     -0.22842118
+H      5.25271561      0.41326174      2.06012716
+H      6.55441472     -0.04150967      0.79869510
+H      5.51532655      0.18372986     -3.56972093 
+
+15
+-1628.6361374188994 14.184085 15.20481 -8.8383 -6.7488 -8.548 0.7124 -0.873 0.559 8.09018 0.00438 3.8017951166 5.8795897004 0.67263723
+C      1.54076040     -0.60737705      1.00510536
+C      2.39368799     -0.16005069      0.07970799
+C      3.13037065      1.15796111      0.16836504
+C      4.57898431      1.01100373      0.06817787
+C      5.79014980      0.88800679     -0.01513305
+C      7.19013404      0.68393279     -0.10588655
+C      8.11899717      1.66009227     -0.09764709
+H      1.02483672     -1.56111085      0.88805683
+H      1.32956361     -0.03577056      1.91240542
+H      2.59778099     -0.75684795     -0.81455924
+H      2.87061355      1.66780274      1.11164168
+H      2.78637473      1.82308142     -0.64577251
+H      7.51550346     -0.35935555     -0.18538002
+H      7.83854947      2.71113134     -0.01891693
+H      9.17941308      1.41912044     -0.16749481 
+
+13
+-1473.7208370997312 14.124273 14.87333 -9.222 -7.1425 -8.672 0.8049 -0.8445 0.758 8.21776 -0.41138 3.2072326522 8.0210758924 1.3062558
+C      1.54359821     -0.52984684      0.98958673
+C      2.42230110     -0.12693178      0.06861804
+C      3.18386113      1.17969933      0.13960956
+C      4.62644158      0.99914190      0.06261465
+C      5.83490950      0.82394332     -0.00796379
+C      7.17942397      0.63903601     -0.08711010
+C      8.38705203      0.47366921     -0.15922716
+H      1.00836374     -1.47431313      0.88621038
+H      1.32899321      0.06955642      1.87773172
+H      2.62994769     -0.74954944     -0.80645046
+H      2.92463573      1.71381343      1.06926728
+H      2.86770521      1.83436460     -0.69392777
+H      9.44543689      0.32796698     -0.22138908 
+
+19
+-1922.6571455174255 13.777868 15.07116 -9.5021 -7.263 -9.384 1.5342 -0.0101 1.251 9.09399 -0.99674 6.603184395 6.603184395 0.942225602
+C      1.50854456     -0.73516466     -0.60152903
+C      2.39812191      0.10883232     -1.13705378
+C      2.98883928      1.29861111     -0.43917423
+C      4.51857599      1.21089292     -0.29748808
+C      5.11816186      2.43117392      0.42280405
+C      6.61017234      2.35303127      0.56167413
+C      7.47881580      3.23357414      0.05122630
+H      1.12248697     -1.59080934     -1.15747088
+H      1.13439072     -0.59424536      0.41639722
+H      2.75040886     -0.07136474     -2.16049491
+H      2.52645002      1.41155071      0.55604712
+H      2.74260882      2.21434817     -1.00789271
+H      4.97909415      1.11647022     -1.29544400
+H      4.77900893      0.29061228      0.25219855
+H      4.66204456      2.50228859      1.42763704
+H      4.84402484      3.35525715     -0.11376968
+H      6.99592578      1.48925893      1.11766597
+H      7.13689557      4.10617443     -0.51242936
+H      8.55600903      3.11701795      0.17899627 
+
+17
+-1766.9188521637577 13.05591 14.27498 -9.5748 -7.3078 -9.453 1.0195 0.0064 1.315 8.98442 -0.75474 4.3549586556 10.7242434616 0.51469975
+C      1.42131920     -0.24725285      0.60828388
+C      2.16502667      0.44576109     -0.26176888
+C      3.02502587      1.62659365      0.07934668
+C      4.50909154      1.38975338     -0.24162059
+C      5.39836945      2.61860123      0.04202342
+C      5.08000423      3.77731348     -0.78497880
+C      4.80916449      4.72893752     -1.48926330
+H      0.81799637     -1.09992876      0.29344507
+H      1.38754665      0.02091813      1.66779878
+H      2.16931531      0.14038071     -1.31548154
+H      2.90908569      1.87611592      1.14759113
+H      2.68451015      2.50725738     -0.49368309
+H      4.61928699      1.10571725     -1.30065261
+H      4.88360204      0.54422425      0.35669662
+H      6.45517965      2.34772974     -0.11700331
+H      5.30975564      2.90042391      1.10565703
+H      4.57466006      5.57341397     -2.10441048 
+
+11
+-1297.6146925516398 11.712803 13.17172 -10.2459 -7.926 -9.574 1.0499 -0.1108 1.66 9.3366 -1.36376 4.3416921536 9.1104664828 0.101550262
+C      0.92579674     -0.02714210      0.03278735
+C      2.13514914      0.00732312     -0.01730991
+C      3.60863630      0.03608877     -0.05510387
+C      4.14005194     -0.71575427     -1.20645732
+C      4.58610545     -1.34688170     -2.13863405
+C      4.12763977      1.41546645     -0.01729131
+C      4.56381160      2.54395551      0.03269301
+H     -0.14398386     -0.05510857      0.07262301
+H      3.96872669     -0.47345839      0.86189720
+H      4.97815956     -1.90160438     -2.96653791
+H      4.94733667      3.54301556      0.07255380 
+
+13
+-1469.0794288590178 13.360338 14.14428 -9.0699 -7.0471 -8.619 0.493 -1.1225 0.392 8.20875 0.18293 4.0864173782 5.8880083498 0.304819321
+C      2.69065344     -0.80428850      2.76275756
+C      3.11184176     -0.47297912      1.67411786
+C      3.62143890     -0.05269181      0.37026033
+C      4.14259014      1.36205155      0.37623129
+C      5.38516143      1.69785846     -0.02390221
+C      5.88983475      3.02160973     -0.04820594
+C      6.36371482      4.14245135     -0.08685370
+H      2.31870848     -1.09923695      3.72264200
+H      2.80297710     -0.13618732     -0.36866913
+H      4.41205937     -0.74503651      0.03765751
+H      3.45593679      2.13718897      0.72566940
+H      6.07135236      0.91151785     -0.35940501
+H      6.76946064      5.13288230     -0.11390995 
+
+11
+-1314.450063669687 13.352249 14.45123 -9.3888 -7.2947 -8.764 0.7645 -0.9163 0.839 8.36673 -0.4361 3.2237227902 7.6064915056 1.333782233
+C      0.94304002     -0.09634394      0.00000000
+C      2.15130440     -0.00557194      0.00000000
+C      3.61351950      0.08337804      0.00000000
+C      4.11846325      1.45289994      0.00000000
+C      4.55270244      2.59447409      0.00000000
+C      5.03634791      3.86484089      0.00000000
+C      5.47470823      5.00387904      0.00000000
+H     -0.12516192     -0.17196070      0.00000000
+H      4.01161063     -0.45089912     -0.88141673
+H      4.01161063     -0.45089912      0.88141673
+H      5.85777490      6.00319282      0.00000000 
+
+15
+-1611.2298764870336 12.271868 13.47951 -10.0154 -7.6352 -9.785 0.9238 -0.0365 2.235 9.45509 -1.89021 4.3552314248 10.6060848036 1.128097465
+C      2.31098348      0.64859900      2.25046347
+C      3.00952739      0.18769484      1.37043889
+C      3.85805460     -0.32744751      0.30170475
+C      4.66272541      0.77200586     -0.42002216
+C      5.69068444      1.47376315      0.48961825
+C      6.74977195      0.58549942      0.95538944
+C      7.62413463     -0.17091365      1.32704818
+H      1.69090196      1.03734854      3.03210165
+H      3.23062767     -0.85931970     -0.43177761
+H      4.55585607     -1.07371218      0.71795846
+H      3.96966510      1.52965564     -0.81523408
+H      5.18425266      0.31919855     -1.27652145
+H      5.16891343      1.90619430      1.36014173
+H      6.14287464      2.31750238     -0.05642500
+H      8.39850658     -0.82991864      1.66263548 
+
+17
+-1786.0783210745487 14.237113 14.17417 -8.269 -6.3403 -8.144 0.4365 -1.0426 0.185 7.54475 0.4366 4.7423653112 4.7423653112 0.514676842
+C      0.88072924     -0.62454830      0.11031045
+C      2.32331418     -0.24088619      0.19191924
+C      2.88345531      0.98122962     -0.02420099
+C      2.08752774      2.17891385     -0.30953603
+C      2.58030569      3.37120082     -0.69547466
+C      4.35159164      1.13758676      0.07070289
+C      5.25721693      0.29687949     -0.45194441
+H      0.74548085     -1.43855897     -0.62107075
+H      0.22011010      0.19861092     -0.18608475
+H      0.52620173     -1.02042404      1.07627762
+H      3.00714392     -1.05089268      0.46507584
+H      1.00460376      2.08661848     -0.19424756
+H      3.64774619      3.53519001     -0.85285989
+H      1.91787362      4.21773044     -0.87759677
+H      4.70334163      2.02444044      0.60972099
+H      4.95580348     -0.56939807     -1.04504395
+H      6.32672399      0.45756742     -0.30975725 
+
+15
+-1631.1594318261848 13.968075 13.89013 -8.4386 -6.4669 -8.127 0.2157 -1.2373 0.057 7.62177 0.58926 4.0627856466 4.9837784518 0.420968204
+C      1.03592205     -0.32124333      0.40747671
+C      2.50230486     -0.05431706      0.33249583
+C      3.12487666      1.11294866     -0.00303752
+C      2.41191284      2.34714347     -0.35884531
+C      2.99889410      3.51124253     -0.68678280
+C      4.55525990      1.14833194     -0.01111418
+C      5.77014737      1.20995470     -0.02819861
+H      0.76687692     -1.16649852     -0.24680129
+H      0.41341496      0.53551056      0.12581663
+H      0.75323316     -0.62444233      1.42923389
+H      3.15121493     -0.89920426      0.57911968
+H      1.32143359      2.29229385     -0.34809338
+H      4.08531365      3.61293368     -0.70939769
+H      2.40066837      4.38682648     -0.93831783
+H      6.84011664      1.24524963     -0.03773415 
+
+21
+-2070.7668434516886 13.488396 14.76501 -8.6148 -6.5972 -8.651 0.8729 -0.0089 1.533 8.06013 -0.82531 6.0286704668 6.0286704668 0.371521084
+C      0.84905007     -0.15675351      0.21658139
+C      2.33754472      0.03075428      0.24893062
+C      3.04553540      1.14698715     -0.01154420
+C      2.41453535      2.46779594     -0.37848509
+C      4.57129566      1.17182644      0.04729984
+C      5.21301065     -0.02473845      0.75727835
+C      5.18305731      1.33650521     -1.35937485
+H      0.57151962     -0.93988045     -0.50828240
+H      0.29722056      0.75263204     -0.05198905
+H      0.47695824     -0.49902592      1.19635048
+H      2.89384497     -0.87148245      0.52074182
+H      1.31990313      2.44674383     -0.33014711
+H      2.69287434      2.78104039     -1.39726031
+H      2.76564775      3.26309460      0.29966419
+H      4.84163404      2.07775978      0.62452494
+H      5.06512074     -0.95877597      0.19338335
+H      4.80222427     -0.16577178      1.76723275
+H      6.29790830      0.13085490      0.84918689
+H      4.94639318      0.46047680     -1.98315731
+H      6.27808357      1.42479417     -1.29778453
+H      4.80698811      2.23058300     -1.87522977 
+
+19
+-1932.6438059588643 14.048138 14.43172 -8.2893 -6.3046 -8.189 0.759 -0.6547 0.458 7.62256 0.11637 5.0230200208 5.0230200208 0.696262703
+C      0.90508501     -0.08747298     -0.33063749
+C      2.38586533      0.12095174     -0.39987715
+C      3.11342093      1.17659230      0.04410422
+C      2.48245914      2.37172688      0.71701675
+C      4.58548757      1.19081600     -0.12148719
+C      5.26270871      0.01863710     -0.79378754
+C      5.33922010      2.22574540      0.31253715
+H      0.66852439     -0.99698545      0.24669009
+H      0.48986824     -0.25041310     -1.33907213
+H      0.36011412      0.74820885      0.12453131
+H      2.92674081     -0.70217467     -0.87434641
+H      1.39494022      2.27484589      0.80058208
+H      2.69358097      3.29651161      0.15830406
+H      2.88337582      2.50978233      1.73297221
+H      4.89528830     -0.12673419     -1.82129712
+H      5.08444708     -0.92078276     -0.24804473
+H      6.34695176      0.18032850     -0.84263903
+H      4.91296222      3.09957571      0.80345039
+H      6.42231929      2.21867084      0.18170053 
+
+17
+-1779.5353785380953 14.114819 15.45999 -8.2547 -6.1984 -8.075 1.0429 -0.4072 0.798 7.59565 -0.1704 3.8527781598 10.625848172 0.630582723
+C      0.94480914     -0.22527789     -0.00013161
+C      2.44232067     -0.09003403      0.00037403
+C      3.13271771      1.07708605      0.00038348
+C      2.47316206      2.43831521      0.00078222
+C      4.55914133      1.07629528      0.00066896
+C      5.77763230      1.14364458      0.00050254
+C      7.23098852      1.19090473      0.00013646
+H      0.64905176     -1.28193496     -0.01952971
+H      0.48386056      0.26065848     -0.87501255
+H      0.48709112      0.22638512      0.89486444
+H      3.02647728     -1.01362569      0.00167452
+H      1.37893625      2.36461981     -0.00134552
+H      2.78581138      3.01770244     -0.88107556
+H      2.78191012      3.01461481      0.88606991
+H      7.59633814      2.22881067     -0.01145783
+H      7.64665110      0.68035765     -0.88231570
+H      7.64655056      0.70029773      0.89389191 
+
+19
+-1927.2237292567595 13.693691 14.64825 -8.7619 -6.7272 -8.696 1.3444 -0.0976 1.11 8.06679 -0.61504 5.904151327 5.904151327 0.525222371
+C      0.72256057     -0.61098493     -0.02481879
+C      2.10085613     -0.02330359     -0.06901475
+C      2.45159422      1.27670580     -0.10907943
+C      1.48441176      2.42975620     -0.12142275
+C      3.91992381      1.67105200     -0.13685563
+C      4.33204269      2.35707792     -1.41425853
+C      4.84839953      3.58855004     -1.49812004
+H      0.55675763     -1.28898345     -0.87773352
+H     -0.07055069      0.14679999     -0.04085762
+H      0.58580554     -1.21884022      0.88475084
+H      2.91586755     -0.75714724     -0.05849118
+H      0.43600194      2.11161701     -0.14690354
+H      1.66717199      3.08068223     -0.99079239
+H      1.62595499      3.06119741      0.77208561
+H      4.53165247      0.76275660     -0.00341486
+H      4.14171799      2.33961640      0.71428681
+H      4.18106073      1.77620350     -2.33188928
+H      5.01018118      4.19994941     -0.60609962
+H      5.13300998      4.02603494     -2.45638134 
+
+17
+-1770.9014202779056 13.069635 14.25727 -9.0584 -6.9189 -8.792 0.9016 -0.0592 1.303 8.20675 -0.63675 4.3459696706 10.6331757446 0.754825115
+C      0.79734575     -0.25281141      0.26737464
+C      2.28604215     -0.09102619      0.21012141
+C      2.98836117      1.02217527     -0.06822644
+C      2.40377352      2.36825820     -0.39289406
+C      4.51194811      0.97055727     -0.04778149
+C      5.12944253      1.30059623     -1.33149147
+C      5.63098498      1.57540157     -2.40263614
+H      0.46133915     -1.01768512     -0.45135736
+H      0.25328114      0.67436762      0.04901708
+H      0.48006035     -0.60205642      1.26332727
+H      2.85807577     -1.00202369      0.42255386
+H      1.30843614      2.36136447     -0.42409649
+H      2.77439849      2.72139152     -1.36785757
+H      2.71813033      3.11783766      0.35271390
+H      4.84505927     -0.03109747      0.26775932
+H      4.89142187      1.67997120      0.71161608
+H      6.07523929      1.81627928     -3.34655253 
+
+13
+-1472.5139254995554 13.361414 13.67806 -8.7369 -6.7118 -8.284 0.0368 -1.4326 0.123 7.83928 0.52415 4.0179399104 7.8514382472 0.598099804
+C      0.97048490     -0.24566848      0.09478472
+C      2.45014820     -0.08757546      0.10126209
+C      3.12109037      1.09498439     -0.00514295
+C      2.44513620      2.34849224     -0.13947175
+C      1.88682845      3.42320328     -0.25020162
+C      4.55054620      1.13762866      0.01353377
+C      5.76505251      1.19381996      0.02726426
+H      0.65560367     -0.90971761     -0.72688356
+H      0.45570894      0.71697645     -0.01247277
+H      0.62933764     -0.72711803      1.02606426
+H      3.05776408     -0.99077576      0.20010396
+H      1.39735669      4.37037180     -0.34873725
+H      6.83469216      1.23772855      0.03937683 
+
+19
+-1936.0183652066748 15.153964 15.37413 -7.8223 -5.9305 -7.781 0.9666 -0.48 0.521 7.31502 0.13953 4.7242509566 4.7242509566 0.759695817
+C      0.68476901      0.68689297      0.82611116
+C      2.17110444      0.59452895      0.69092188
+C      2.99568813      1.63340265      0.43450458
+C      4.43418110      1.51013581      0.30970622
+C      5.33428070      2.49254145      0.05384061
+C      4.98106459      3.93973094     -0.15379102
+C      6.80282262      2.18036093     -0.04171551
+H      0.34961715      0.33605809      1.81638877
+H      0.17436065      0.04911311      0.08528570
+H      0.32801874      1.71773899      0.69131029
+H      2.61305834     -0.40221600      0.81216493
+H      2.54815412      2.62632147      0.31441800
+H      4.82719871      0.49453921      0.44049056
+H      3.90645982      4.14212286     -0.08199557
+H      5.32567201      4.28315814     -1.14378482
+H      5.49601491      4.57325336      0.58803928
+H      7.00639682      1.11325890      0.11782180
+H      7.37962363      2.75617126      0.70225701
+H      7.20491451      2.46402692     -1.02943387 
+
+17
+-1794.297793696565 17.167436 15.52856 -7.7814 -5.9548 -7.697 0.0616 -1.3575 -0.235 7.16568 0.87463 4.2046380292 4.2046380292 1.170477703
+C      0.71157332      2.09418298     -0.57608502
+C      2.05048088      1.45703882     -0.39713386
+C      3.19118587      2.11501476     -0.08904821
+C      4.47626258      1.48331799      0.08170055
+C      5.62452345      2.14349223      0.39148705
+C      6.90879413      1.50594949      0.55863450
+C      8.05312742      2.15494419      0.86143058
+H     -0.02559368      1.67662422      0.12953010
+H      0.31138312      1.90445418     -1.58580074
+H      0.75430414      3.18146127     -0.42329363
+H      2.09846037      0.36927523     -0.52821384
+H      3.15310517      3.20350988      0.04378950
+H      4.51636670      0.39515217     -0.05082643
+H      5.58883824      3.23152606      0.52438769
+H      6.93507352      0.41818888      0.42542451
+H      8.07004150      3.23827682      1.00213802
+H      8.99753327      1.62335084      0.97579923 
+
+15
+-1635.7262841845916 16.104315 15.11182 -8.134 -6.2385 -7.857 -0.0722 -1.5081 -0.165 7.40989 0.76891 3.9975070176 4.108834047 0.644703485
+C      0.74258638      0.02555961     -0.14580034
+C      2.23334722     -0.01861428     -0.21376386
+C      3.06615952      0.86692132      0.37897877
+C      4.50357418      0.80078936      0.29757850
+C      5.34098505      1.69262801      0.89493373
+C      6.74914311      1.63837982      0.82279242
+C      7.96801066      1.62690080      0.78526889
+H      0.33789633     -0.89998824      0.29582331
+H      0.30151074      0.10232528     -1.15327229
+H      0.38626454      0.87598649      0.45136746
+H      2.67546222     -0.83841073     -0.79256478
+H      2.63727429      1.69192699      0.96106873
+H      4.93881734     -0.01983368     -0.28166453
+H      4.91329382      2.51700723      1.47659036
+H      9.03761461      1.60830202      0.74638361 
+
+17
+-1787.768405513023 14.191964 14.32036 -8.3827 -6.4463 -8.287 0.3851 -1.1207 0.162 7.7072 0.4514 4.8543742636 4.8543742636 0.409964401
+C      0.88892590      0.58331474     -0.04312895
+C      2.34770870      0.37884671     -0.30435498
+C      3.33339017      1.14072463      0.20043739
+C      4.77631309      0.92474926     -0.02491938
+C      5.32317583     -0.31531325     -0.01075854
+C      5.64022992      2.09206244     -0.24457513
+C      5.22964821      3.36388884     -0.39662287
+H      0.33279058      0.73092819     -0.98273862
+H      0.70924723      1.45225910      0.60507616
+H      0.44691126     -0.30234702      0.44226647
+H      2.61601186     -0.45099657     -0.96834235
+H      3.06262263      2.00393350      0.81977741
+H      4.72323092     -1.20100335      0.19920974
+H      6.38810379     -0.45963246     -0.20150036
+H      6.71253189      1.87538292     -0.29186782
+H      4.17400555      3.63962338     -0.37691047
+H      5.94742249      4.16847895     -0.55711770 
+
+15
+-1632.4868698369057 13.968267 14.02365 -8.4641 -6.5279 -8.241 0.2103 -1.2796 0.065 7.70563 0.57695 4.0445101102 5.0354558166 0.549078544
+C      0.83446810      0.14676488     -0.10121615
+C      2.30934156      0.18029721     -0.33774344
+C      3.17929174      0.95188561      0.34039175
+C      4.62947579      0.99411860      0.11755914
+C      5.43573919      1.80453777      0.85084830
+C      5.19096361      0.15733704     -0.89831290
+C      5.64904484     -0.56158039     -1.76586432
+H      0.50155948     -0.86910400      0.16728324
+H      0.28250636      0.41933148     -1.01553092
+H      0.53041913      0.83223235      0.70178015
+H      2.70142569     -0.47521128     -1.12312991
+H      2.81096648      1.61558236      1.13039336
+H      5.01675437      2.44596946      1.62726876
+H      6.51116726      1.83521080      0.68457619
+H      6.06550642     -1.18925190     -2.52683323 
+
+19
+-1934.8141411279157 14.685586 15.13503 -7.9432 -6.0425 -7.941 1.0497 -0.4275 0.507 7.43429 0.10576 4.8533203826 4.8533203826 0.724328695
+C      0.98609806      0.19032794      0.87753217
+C      2.46660989      0.09644357      0.67531797
+C      3.26805938      1.14387072      0.39161632
+C      4.71692821      1.10438223      0.19012983
+C      5.40715859     -0.22990390      0.31354116
+C      5.36278058      2.26355324     -0.09565337
+C      6.82190711      2.48485412     -0.34058282
+H      0.69669092     -0.15930165      1.88256892
+H      0.44193050     -0.44708460      0.16100185
+H      0.62525996      1.22177239      0.75891830
+H      2.90292822     -0.90344908      0.77177356
+H      2.80735387      2.13561228      0.29908452
+H      5.00278498     -0.94738666     -0.41772651
+H      5.24182349     -0.66378645      1.31223100
+H      6.48837566     -0.16018145      0.15212069
+H      4.74326803      3.16623032     -0.15933447
+H      7.42432298      1.57312930     -0.24463474
+H      7.22679057      3.23097604      0.36314184
+H      6.99157899      2.89425164     -1.35065625 
+
+21
+-2071.0269703298018 13.59785 14.907 -9.0514 -6.9021 -8.922 0.8709 0.0134 1.495 8.37151 -0.83527 6.2577346018 6.2577346018 0.411256674
+C      0.86782023      0.97078505     -1.01740978
+C      2.36094082      0.83391893     -1.04787484
+C      3.18778278      1.28996500     -0.09726391
+C      4.70021128      1.19302761     -0.05183491
+C      5.09795875      0.42733534      1.23015269
+C      5.28563581      0.47376525     -1.27591218
+C      5.27539770      2.62532937      0.02327686
+H      0.50008900      1.52804047     -1.89429549
+H      0.52816558      1.49511578     -0.11304017
+H      0.37589679     -0.01503913     -1.04634410
+H      2.77761690      0.32047414     -1.92117728
+H      2.74433373      1.80163238      0.76884500
+H      4.69340584      0.92042333      2.12719694
+H      6.19353060      0.38510156      1.33260124
+H      4.71311433     -0.60273448      1.20752653
+H      5.03733323      1.00084646     -2.20917008
+H      4.91152003     -0.55795492     -1.35351745
+H      6.38222916      0.42764079     -1.19868053
+H      5.01976886      3.19898970     -0.87961402
+H      6.37221988      2.59839901      0.11707042
+H      4.87503870      3.16732838      0.89359504 
+
+19
+-1925.491999575199 13.77947 14.90503 -9.0128 -6.9459 -8.874 1.4439 -0.0985 1.097 8.33633 -0.63189 6.0025838124 6.0025838124 0.446518696
+C      0.70385646      1.01191910      0.23285898
+C      2.18238747      0.94097099      0.46623064
+C      3.12220635      1.31891698     -0.41023403
+C      4.61272669      1.23587866     -0.17866450
+C      5.27354061      0.30350461     -1.21746710
+C      5.23112143      2.61303433     -0.23517276
+C      5.89357778      3.20246033      0.76589058
+H      0.23817516      0.01639705      0.31545521
+H      0.47086505      1.41664580     -0.76203399
+H      0.21199740      1.64908726      0.98575158
+H      2.50389758      0.54684349      1.43888534
+H      2.81083323      1.71739249     -1.38590782
+H      4.78592627      0.82091087      0.82948541
+H      5.12231808      0.68538733     -2.23923604
+H      4.83515969     -0.70307779     -1.16539617
+H      6.35593076      0.22856044     -1.04130108
+H      5.11620327      3.14479180     -1.18858002
+H      6.02622633      2.70611784      1.73106986
+H      6.32148038      4.20040841      0.65907592 
+
+17
+-1768.389064761149 13.067785 14.42783 -9.3098 -7.1315 -8.982 0.9283 -0.0045 1.233 8.50993 -0.61159 4.3319344554 10.6518604348 0.7253538
+C      0.84533698      0.67043565     -1.10285734
+C      2.34165478      0.60241043     -1.05116190
+C      3.09555554      1.20474142     -0.12370665
+C      4.61132487      1.15741747     -0.02501529
+C      5.30750154      0.33808235     -1.12521151
+C      5.14851065      2.52163373      0.03984859
+C      5.58948181      3.65199524      0.08959439
+H      0.50227203      1.11934491     -2.04902278
+H      0.43816856      1.26636781     -0.27430011
+H      0.39940135     -0.33592576     -1.05453648
+H      2.82474894      0.01576148     -1.83951011
+H      2.60807471      1.80010952      0.65623292
+H      4.85230328      0.68176709      0.94666612
+H      5.11134519      0.76688463     -2.11756429
+H      4.95257224     -0.70166837     -1.11209047
+H      6.39282473      0.33627321     -0.96350908
+H      5.98039279      4.64766919      0.13551397 
+
+15
+-1636.3644458260815 16.192261 15.76358 -8.064 -6.2244 -7.893 0.0302 -1.4623 -0.009 7.40442 0.61138 3.5175572116 5.7265909764 0.617460529
+C      0.88162104     -0.04166218      0.02394970
+C      2.37143270     -0.02892577      0.11422074
+C      3.13968577      1.06555366     -0.09474366
+C      4.54808451      1.08989294     -0.01472752
+C      5.76999990      1.17589151      0.03645903
+C      7.17953725      1.21209786      0.10907621
+C      7.93862986      2.30811304     -0.10563440
+H      0.53799956     -0.76698398     -0.73156260
+H      0.48062498      0.94672194     -0.23956808
+H      0.42933377     -0.35430499      0.97935993
+H      2.86665913     -0.97210198      0.36579319
+H      2.64998564      2.01433766     -0.34672062
+H      7.67206236      0.26571092      0.35935240
+H      7.48969496      3.26954736     -0.35703630
+H      9.02454857      2.25578200     -0.03155803 
+
+13
+-1481.3494322752906 15.851842 15.48988 -8.4908 -6.5643 -8.043 -0.0837 -1.5629 0.056 7.56546 0.59843 3.0186375476 7.7940203306 0.946810355
+C      0.93252989     -0.00838305      0.07486154
+C      2.42150334     -0.00536082      0.15825652
+C      3.20500818      1.03938690     -0.19750301
+C      4.61096715      1.04763726     -0.11921231
+C      5.83773329      1.10372408     -0.06994897
+C      7.19046551      1.15016571     -0.00929161
+C      8.41120019      1.19268707      0.04406521
+H      0.57671730     -0.82160523     -0.57838185
+H      0.54184695      0.94288071     -0.31053413
+H      0.48393343     -0.19145123      1.06487186
+H      2.90549069     -0.91207550      0.53470588
+H      2.73362284      1.95475748     -0.57620333
+H      9.47962124      1.23008660      0.09128421 
+
+19
+-1928.8757805933135 14.092072 15.45046 -8.8745 -6.8034 -8.679 1.4487 0.002 1.113 8.31767 -0.68935 5.887289231 5.887289231 0.716103824
+C      0.81587088      0.85395347      1.06139874
+C      2.30980210      0.79472583      0.96019264
+C      3.04167854      1.37557847     -0.00062249
+C      4.54534975      1.32718905     -0.09767167
+C      5.16819038      2.69659687      0.00026015
+C      5.88211063      3.29133538     -0.96557688
+C      6.48821019      4.65873526     -0.87347840
+H      0.37269105     -0.15448956      1.02499193
+H      0.38016519      1.44798105      0.24583071
+H      0.49731937      1.29968445      2.01763701
+H      2.82995889      0.22375949      1.74027762
+H      2.53217737      1.95579161     -0.78036577
+H      4.84429601      0.86611579     -1.05532386
+H      4.93525324      0.67904534      0.70658506
+H      4.98897794      3.23627483      0.93879494
+H      6.04764110      2.74606899     -1.90387476
+H      6.27565880      5.12908125      0.09680708
+H      6.10338517      5.32060034     -1.66624926
+H      7.58193339      4.62057209     -1.00343279 
+
+21
+-2071.2590739645916 13.682329 15.16402 -9.0568 -6.8741 -8.98 0.963 0.0946 1.47 8.45075 -0.82822 6.277101215 6.277101215 0.409436779
+C      1.05830181      0.33692835     -1.68515614
+C      2.49852363      0.62130977     -1.38462644
+C      2.94741992      1.35008011     -0.35304057
+C      4.38947190      1.63021328     -0.04679622
+C      4.75554950      3.13272257     -0.01995597
+C      6.19606341      3.32511455      0.46712119
+C      4.54220842      3.79164949     -1.38668660
+H      0.77848556      0.70703856     -2.68491512
+H      0.39117950      0.80595954     -0.94816508
+H      0.85751565     -0.74672010     -1.68722874
+H      3.23346562      0.18686399     -2.07433145
+H      2.21323204      1.78773620      0.33747604
+H      5.03307029      1.11401333     -0.78111639
+H      4.63711630      1.20345006      0.94256911
+H      4.08121838      3.62411300      0.70639620
+H      6.90898353      2.84752399     -0.22463277
+H      6.34774613      2.88188558      1.46287524
+H      6.45719930      4.39209217      0.52827820
+H      5.21212670      3.34644129     -2.14106137
+H      4.75636915      4.86992461     -1.34446525
+H      3.50983328      3.66016966     -1.74027785 
+
+19
+-1928.9937155563264 13.708662 14.73839 -9.0626 -6.9962 -8.911 1.2909 -0.0818 1.123 8.39797 -0.74213 6.0680112246 6.0680112246 0.699841092
+C      0.79050268      0.55875527     -0.97541050
+C      2.27881607      0.71095488     -0.89532703
+C      2.93402697      1.45985122      0.00230676
+C      4.43202831      1.60165403      0.08685434
+C      4.91156687      3.03174515     -0.09291165
+C      4.66032603      3.65030317     -1.44122459
+C      5.52350541      3.69362587      0.90083193
+H      0.49118891     -0.49481813     -0.85389009
+H      0.40924253      0.87935498     -1.95844270
+H      0.28148866      1.15002300     -0.20143321
+H      2.86569846      0.15197163     -1.63539212
+H      2.35868761      2.02688687      0.74529806
+H      4.89571813      0.96107136     -0.68435433
+H      4.78186875      1.23469061      1.06640793
+H      5.15656065      3.06779371     -2.23563643
+H      5.02846704      4.68341173     -1.48889292
+H      3.58537126      3.64806106     -1.68082379
+H      5.70016647      3.22459398      1.87115643
+H      5.86932919      4.72168961      0.77496392 
+
+17
+-1775.483217918669 13.537682 15.57057 -9.1838 -6.9426 -8.803 0.9191 0.0416 1.321 8.43321 -0.69049 4.1357638062 10.1972781644 0.752961934
+C      0.83295783      0.49904130     -1.01432015
+C      2.32998762      0.55223721     -0.99418591
+C      3.06749654      1.15287512     -0.05260795
+C      4.57853623      1.18718877     -0.04625880
+C      5.12290705      2.54507636     -0.01645660
+C      5.55728138      3.68049512      0.01626704
+C      6.08416574      5.03716598      0.04829574
+H      0.43270486      0.96991775     -1.92686795
+H      0.39822161      1.01263764     -0.14561014
+H      0.47081722     -0.54164145     -1.01487625
+H      2.84598501      0.05727009     -1.82673937
+H      2.57302995      1.66551918      0.78027496
+H      4.96265558      0.64966302     -0.92957972
+H      4.95477942      0.63708881      0.83622194
+H      5.30814068      5.77146600     -0.21562669
+H      6.91356681      5.15874645     -0.66471577
+H      6.46308649      5.29605264      1.04850559 
+
+19
+-1925.752849128771 13.927398 15.30194 -9.0057 -6.928 -9.021 1.3088 0.1344 1.319 8.93342 -0.75972 6.2678518594 6.2678518594 0.612295823
+C      0.20561315      0.81323595      0.31920590
+C      1.62201852      0.88145313     -0.16562390
+C      2.65364571      1.38409994      0.52670286
+C      4.07074146      1.45964553      0.03891977
+C      4.59605682      2.91157092     -0.05368640
+C      6.01343613      2.98588373     -0.53969973
+C      7.04333181      3.48064183      0.15664285
+H     -0.47433409      1.35809173     -0.35563765
+H      0.10309118      1.24132787      1.32630187
+H     -0.15586302     -0.22744472      0.35122057
+H      1.81381672      0.47889544     -1.16878838
+H      2.46514639      1.79032073      1.52980021
+H      4.15213677      0.97288863     -0.94730417
+H      4.73270512      0.89959235      0.72282960
+H      4.51405242      3.39953576      0.93175073
+H      3.93821705      3.47123357     -0.74164522
+H      6.19750427      2.58269471     -1.54342932
+H      6.90513665      3.88944672      1.16141276
+H      8.05506694      3.49811616     -0.25131234 
+
+17
+-1770.0548671396944 13.381617 14.95366 -9.2858 -7.0902 -9.094 0.9699 0.0693 1.317 8.57282 -0.68393 4.3660182068 10.6892794096 0.719255134
+C      0.77982688      0.81046987      1.08387227
+C      2.27729033      0.76869188      1.06839946
+C      3.05353552      1.19002949      0.06039844
+C      4.55285548      1.14361668      0.05013193
+C      5.18270219      2.55542935     -0.06338354
+C      6.63834870      2.52938655     -0.12291672
+C      7.85068684      2.47634595     -0.16852559
+H      0.35525194     -0.19959398      1.20134520
+H      0.37718927      1.24508256      0.15828342
+H      0.40729979      1.40531456      1.93332579
+H      2.76141399      0.35040978      1.96014691
+H      2.57283336      1.61005178     -0.83339867
+H      4.90876412      0.54275522     -0.80367310
+H      4.92600269      0.65397021      0.96239251
+H      4.86011400      3.16552216      0.79651538
+H      4.79119008      3.06043412     -0.96292723
+H      8.91998480      2.43976381     -0.20949646 
+
+17
+-1793.1729765571029 16.061002 14.72198 -8.0035 -6.1672 -7.925 -0.0285 -1.4701 -0.29 7.3298 0.88316 4.3479038522 4.3479038522 1.126344198
+C      3.97375689     -0.30233387      2.25885304
+C      3.26582811     -0.46008576      0.93641051
+C      2.50700793     -1.55038234      0.67494888
+C      3.40572367      0.58160662     -0.07082742
+C      4.14514692      1.71548578      0.04939092
+C      4.25343887      2.71944494     -0.98496643
+C      4.99344244      3.84312864     -0.88339485
+H      3.64481849      0.61144199      2.77741755
+H      5.06269500     -0.22046134      2.11913498
+H      3.77629761     -1.15882237      2.91518703
+H      2.38375782     -2.34865747      1.40816635
+H      1.99428935     -1.66594790     -0.28181173
+H      2.85899382      0.41772462     -1.00685604
+H      4.70377387      1.90377640      0.97260591
+H      3.68843284      2.53531405     -1.90604727
+H      5.57104513      4.06092784      0.01819464
+H      5.04274123      4.57004016     -1.69386606 
+
+15
+-1634.4627886139615 15.091672 14.36654 -8.3598 -6.4566 -8.092 -0.1755 -1.6359 -0.217 7.57654 0.77506 3.9921880182 4.1976576174 0.532907359
+C      1.53870075     -0.49700174      0.78955804
+C      2.88562126     -0.31725755      0.13673159
+C      3.47780520     -1.32506949     -0.54559475
+C      3.56360849      0.96609118      0.24339461
+C      3.08120562      2.05787716      0.89525884
+C      3.76403242      3.29118593      0.98287470
+C      4.32395867      4.36973519      1.07924170
+H      0.80380542      0.21804039      0.38875424
+H      1.59813970     -0.32722418      1.87570547
+H      1.15458578     -1.51085624      0.62295912
+H      3.00140753     -2.30110619     -0.64736980
+H      4.45324654     -1.19259790     -1.01703945
+H      4.53943763      1.04392621     -0.24485660
+H      2.10752495      2.01007969      1.39266527
+H      4.82190003      5.31403755      1.15984703 
+
+17
+-1785.6518823603553 13.644819 13.73152 -8.7073 -6.7494 -8.6 0.532 -1.0116 0.234 7.99589 0.31806 5.2147643698 5.2147643698 0.683255666
+C      2.19600548     -0.91206613      1.16388716
+C      2.11295115     -0.00457786     -0.03909354
+C      1.45945805     -0.34763650     -1.16042137
+C      2.77151201      1.33421851      0.08494773
+C      2.02591626      2.45703383      0.18480718
+C      4.23652294      1.41622583      0.10941826
+C      5.08373724      0.41375265     -0.18519888
+H      3.23774022     -1.06971268      1.47978669
+H      1.73742988     -1.88823983      0.95796674
+H      1.67582352     -0.45487927      2.02107658
+H      0.96332784     -1.31649356     -1.25138955
+H      1.41138269      0.32723608     -2.01616341
+H      0.93650122      2.41773779      0.16448705
+H      2.49683770      3.43725003      0.28760299
+H      4.64508352      2.40014121      0.36377859
+H      4.72225368     -0.57581190     -0.47189792
+H      6.16288660      0.56582181     -0.16638429 
+
+15
+-1630.9076283016093 13.417135 13.50773 -8.6391 -6.756 -8.466 0.1133 -1.418 0.003 7.90119 0.60368 4.0103519672 5.164512844 0.551829606
+C      1.12384159     -0.17950956      0.59285845
+C      2.43251462     -0.02004520     -0.13671563
+C      2.97814665     -1.04106987     -0.82730817
+C      3.10596562      1.30174066     -0.07131707
+C      2.59266965      2.35570746      0.61299257
+C      4.34970062      1.46395038     -0.76120414
+C      5.40703419      1.59988749     -1.34657926
+H      0.36686213      0.52724587      0.21909030
+H      1.23995318      0.00797052      1.67152211
+H      0.73380655     -1.19651563      0.46384226
+H      2.48352770     -2.01195857     -0.87502024
+H      3.92489903     -0.92648251     -1.35538670
+H      1.65061319      2.28014047      1.15356764
+H      3.11640838      3.30982720      0.63790758
+H      6.33833689      1.72514129     -1.85982972 
+
+21
+-2068.789944290586 13.236399 14.26933 -9.1655 -7.0237 -9.1 0.8677 -0.0206 1.468 8.43727 -0.80085 6.369222813 6.369222813 0.404700604
+C      2.51050577     -0.85845409      1.26028949
+C      2.50050977     -0.07123184     -0.02966734
+C      1.90242925     -0.58696667     -1.11646672
+C      3.19230714      1.30158043     -0.02583449
+C      3.01349462      2.04510888     -1.35999589
+C      2.60629441      2.18336885      1.10097317
+C      4.70785971      1.11162797      0.22090754
+H      3.53068251     -1.00979949      1.64486347
+H      2.05670132     -1.84728834      1.11427582
+H      1.94556615     -0.34450612      2.05331030
+H      1.43329100     -1.57230019     -1.07841527
+H      1.85510496     -0.06252327     -2.07001433
+H      3.45891984      1.48954801     -2.19804459
+H      3.51160364      3.02466117     -1.30858966
+H      1.95120429      2.21884568     -1.58620282
+H      2.78115604      1.75128701      2.09615906
+H      1.52220132      2.32021074      0.97147739
+H      3.07889410      3.17717949      1.08443671
+H      4.91204733      0.64274486      1.19368250
+H      5.21661616      2.08771569      0.21111237
+H      5.15651067      0.48416124     -0.56323669 
+
+15
+-1635.2539201585098 15.288407 15.01566 -8.3284 -6.4066 -8.105 -0.065 -1.544 -0.037 7.54353 0.58109 3.4569652534 5.7783303342 0.503584712
+C      0.98559555      0.00728656     -0.00570419
+C      2.49485756     -0.07290672      0.05635513
+C      3.15619165     -1.24966722      0.14399215
+C      3.19678914      1.16254171      0.01840847
+C      3.73600698      2.26213009     -0.01546924
+C      4.42997154      3.49223357     -0.05362410
+C      3.84626251      4.70793862     -0.11112363
+H      0.59551210      0.60388599      0.83180505
+H      0.53792365     -0.99389253      0.03416545
+H      0.66265600      0.50306354     -0.93289919
+H      2.61024369     -2.19338531      0.17341590
+H      4.24420060     -1.28624904      0.18796931
+H      5.52336472      3.42722140     -0.03373488
+H      2.76159886      4.81690950     -0.13143238
+H      4.45066546      5.61410984     -0.13813385 
+
+13
+-1480.0311059735025 15.049204 14.83754 -8.6769 -6.7477 -8.263 -0.1376 -1.645 0.05 7.71562 0.55213 2.9955513544 7.6841315388 1.042176841
+C      1.00171422      0.04523751     -0.03798971
+C      2.50853912     -0.05741509      0.04981962
+C      3.15675485     -1.23814891      0.17161166
+C      3.22834593      1.16434194     -0.00170299
+C      3.79614782      2.25238435     -0.04651804
+C      4.44285717      3.44276487     -0.09654235
+C      5.02300265      4.51754613     -0.14179396
+H      0.60755605      0.66365163      0.78148373
+H      0.54079369     -0.94922161      0.01579441
+H      0.70078674      0.52578588     -0.98028539
+H      2.60073489     -2.17553587      0.21196582
+H      4.24353892     -1.28459651      0.23246914
+H      5.53213794      5.45808568     -0.18123194 
+
+19
+-1929.1527560828893 13.358083 14.11186 -9.1642 -7.0991 -9.117 1.2145 -0.2007 1.115 8.62644 -0.75961 6.221927445 6.221927445 0.715271258
+C      4.57042657     -2.76074835     -0.43150218
+C      3.71862917     -1.74498243      0.28080992
+C      2.66613830     -2.09376559      1.03660213
+C      4.11316003     -0.29127498      0.08840636
+C      5.48545582      0.05017988      0.64177039
+C      5.65248946     -0.09317096      2.13051577
+C      6.48251074      0.46250195     -0.15601435
+H      4.55047857     -2.59010004     -1.52071994
+H      4.22874937     -3.78506922     -0.23481561
+H      5.62545942     -2.67558484     -0.12669852
+H      2.37949996     -3.13948874      1.16678204
+H      2.05556670     -1.34332884      1.54337670
+H      3.35809043      0.34790660      0.57716991
+H      4.09672789     -0.05278147     -0.98882245
+H      4.94445355      0.56074395      2.66622734
+H      6.67075661      0.16298387      2.45016997
+H      5.42788593     -1.12104325      2.45652721
+H      6.34333368      0.56533474     -1.23435835
+H      7.46607781      0.71561772      0.24546366 
+
+19
+-1925.403043188378 13.621472 14.64758 -9.1222 -7.0375 -9.148 1.5149 0.0037 1.276 8.99944 -0.72035 6.3717397288 6.3717397288 0.618098129
+C      3.06425930     -2.48792488     -1.27753765
+C      2.95253981     -1.69085612     -0.00352852
+C      2.48793992     -2.23478826      1.13236567
+C      3.38311306     -0.24310298     -0.06642425
+C      4.89589050     -0.04802771     -0.33135248
+C      5.29055620      1.39962018     -0.34204337
+C      5.80020338      2.05096645     -1.39389744
+H      2.52786011     -1.98771495     -2.10065702
+H      2.65203046     -3.49828650     -1.15866815
+H      4.11269727     -2.58613714     -1.60201249
+H      2.17285800     -3.27955220      1.17708932
+H      2.40475707     -1.65061488      2.05134691
+H      3.11553353      0.25914957      0.87681198
+H      2.82520938      0.26982604     -0.87005522
+H      5.17897647     -0.51091979     -1.28981417
+H      5.45417810     -0.57787347      0.46076425
+H      5.12425248      1.95003869      0.59246265
+H      5.97774047      1.54220271     -2.34558455
+H      6.05892449      3.10963523     -1.34239544 
+
+17
+-1769.5991548271984 13.105332 14.34379 -9.3691 -7.1833 -9.212 1.0489 -0.0717 1.312 8.5951 -0.6715 4.3659934096 6.3763148122 0.448704259
+C      2.80167704     -1.30163438      1.16005290
+C      2.61748012     -0.41256344     -0.04242843
+C      1.97235170     -0.83182650     -1.14214365
+C      3.18333079      0.98587935      0.04770198
+C      4.73372551      1.01599459      0.08350571
+C      5.26880780      2.36898814      0.15420482
+C      5.68704555      3.50759348      0.20969340
+H      3.86710433     -1.47727353      1.37896036
+H      2.32373467     -2.27885519      1.01428478
+H      2.36972729     -0.83503722      2.06052038
+H      1.55781279     -1.83968126     -1.21073851
+H      1.83447485     -0.17778352     -2.00560609
+H      2.80988891      1.48254436      0.95928161
+H      2.84097391      1.58477136     -0.80835847
+H      5.12455355      0.51351210     -0.81707085
+H      5.10393834      0.43930575      0.94685209
+H      6.06482287      4.50819592      0.26008798 
+
+15
+-1633.3131831554765 15.261391 14.35338 -8.1971 -6.331 -7.941 -0.1024 -1.5701 -0.158 7.41847 0.73717 3.9843769002 4.166487537 0.58157954
+C      0.88726738      0.36177384     -0.28644847
+C      2.34075784      0.08274108      0.01606149
+C      2.85752064     -1.13846914      0.34712682
+C      2.13344287     -2.38133011      0.47051562
+C      2.71795054     -3.55168248      0.80474319
+C      3.20726114      1.20755980     -0.06098591
+C      3.90204364      2.20596691     -0.13870142
+H      0.49447718      1.12128692      0.40554278
+H      0.26265253     -0.53440535     -0.20755901
+H      0.78206962      0.77050012     -1.30238668
+H      3.93341896     -1.18744605      0.54027542
+H      1.05618264     -2.37324941      0.28268017
+H      3.79051948     -3.61415044      1.00257152
+H      2.14101295     -4.47241812      0.88843903
+H      4.52921259      3.07124241     -0.20365456 
+
+13
+-1475.974965919289 14.285781 13.85508 -8.5705 -6.6469 -8.136 -0.2061 -1.7131 -0.049 7.69072 0.60025 3.9276037108 5.6310473648 0.410406229
+C      0.94558850      0.12602427     -0.06008246
+C      2.44590046     -0.00320491     -0.02287155
+C      3.09387671     -1.20333285      0.06171297
+C      2.45493232     -2.45920247      0.12395917
+C      1.94834502     -3.56712578      0.17553560
+C      3.19834076      1.19972236     -0.08089174
+C      3.79315545      2.26159881     -0.13252517
+H      0.59411811      0.74067169      0.78172066
+H      0.46736204     -0.85913988     -0.00993432
+H      0.62849342      0.63404514     -0.98274614
+H      4.18669255     -1.20662997      0.08343728
+H      1.49773419     -4.53739170      0.22057762
+H      4.33213046      3.18558527     -0.18156192 
+
+17
+-1791.122725827757 15.840098 14.54616 -7.9374 -6.1453 -7.83 -0.0072 -1.4694 -0.268 7.229 0.8612 4.2525462196 4.2525462196 1.041523571
+C      1.04854145      0.05013163     -0.00495664
+C      2.54300657     -0.13465831      0.04407141
+C      3.06615427     -1.49538380      0.03227611
+C      2.32230335     -2.61945144     -0.01840598
+C      3.35644840      0.96438579      0.09992009
+C      4.80037967      1.00200240      0.15243918
+C      5.51101527      2.14789844      0.21646501
+H      0.78094521      1.11411083      0.00749484
+H      0.55847091     -0.43631676      0.85326021
+H      0.62108734     -0.39964293     -0.91506246
+H      4.15240271     -1.60741734      0.06924307
+H      1.23229616     -2.59629118     -0.05682791
+H      2.79316532     -3.60248649     -0.02212156
+H      2.86819403      1.94570837      0.10762242
+H      5.34748780      0.05544058      0.13950030
+H      5.01471295      3.12128181      0.23283112
+H      6.60006859      2.14354840      0.25540079 
+
+15
+-1634.4933840061337 14.596411 13.92347 -8.2922 -6.4307 -8.006 -0.1202 -1.6169 -0.18 7.49114 0.72711 3.9650474828 4.124270304 0.469513228
+C      0.83906970      0.21479482     -0.17027819
+C      2.33300053      0.04366391     -0.20145318
+C      2.89579565     -1.27772608     -0.44468001
+C      2.18349705     -2.40298946     -0.65200191
+C      3.14740290      1.12436808     -0.00220907
+C      4.55992476      1.10657525     -0.00576660
+C      5.77866718      1.14868260      0.00185974
+H      0.56207662      1.25882607      0.02176883
+H      0.38598091     -0.41113767      0.61421576
+H      0.38636632     -0.09088093     -1.12637384
+H      3.98835310     -1.33139106     -0.45433002
+H      1.09208734     -2.41238732     -0.65393545
+H      2.68327910     -3.35585229     -0.82729157
+H      2.68613044      2.10061111      0.17759463
+H      6.84885839      1.17775296      0.00708088 
+
+19
+-1924.8255655624073 13.315737 14.09218 -9.2677 -7.1314 -9.058 1.3291 -0.1756 1.013 8.39656 -0.5623 6.151937348 6.151937348 0.622222902
+C      1.06512387      0.01508118      0.25688562
+C      2.43410559      0.23766254     -0.40111639
+C      2.65821278     -0.58534376     -1.65264218
+C      1.78331362     -1.40990384     -2.24057910
+C      2.70720545      1.71425282     -0.69151482
+C      1.75613732      2.42131763     -1.62018245
+C      3.76263115      2.33710205     -0.14481769
+H      0.97157756      0.63608191      1.15837456
+H      0.94346275     -1.03679022      0.55205985
+H      0.23691046      0.27165530     -0.41926469
+H      3.20935765     -0.07900457      0.32083490
+H      3.65298494     -0.46578775     -2.09704586
+H      0.77738873     -1.56980085     -1.84781717
+H      2.05187716     -1.96262827     -3.14194787
+H      0.74003074      2.46314371     -1.19707539
+H      1.67479730      1.89008456     -2.58140240
+H      2.08325328      3.45058043     -1.81567538
+H      4.44661019      1.81562357      0.52830290
+H      3.97412946      3.38842355     -0.35120644 
+
+19
+-1931.1340235315495 14.502505 14.49627 -8.0763 -6.147 -7.97 0.7633 -0.6825 0.444 7.39058 0.17191 4.8011966682 4.8011966682 0.711583606
+C      0.89359470     -0.10330609     -0.24488398
+C      2.38757549     -0.09938192     -0.04512370
+C      2.96145251     -1.49018255     -0.15917074
+C      3.12606153      1.02377309      0.20689597
+C      2.52029514      2.40422702      0.31382985
+C      4.57795650      0.96600327      0.39283822
+C      5.38860221      2.01531536      0.64121320
+H      0.42931459      0.88729763     -0.22335689
+H      0.40783465     -0.71999276      0.53070298
+H      0.63943114     -0.57362800     -1.20979294
+H      2.44980978     -2.16869674      0.54380887
+H      4.03584956     -1.56127053      0.03297018
+H      2.77304586     -1.89602822     -1.16762610
+H      1.43511573      2.41518780      0.18058293
+H      2.95673071      3.07761950     -0.44078312
+H      2.73914591      2.84668865      1.29823985
+H      5.05157197     -0.01472492      0.32466344
+H      5.02180201      3.03867118      0.72780906
+H      6.46176000      1.86885823      0.76598294 
+
+17
+-1775.188237291513 13.589552 14.15386 -8.2804 -6.3308 -8.101 0.9829 -0.5302 0.729 7.60343 -0.09019 4.024833532 11.0135275968 0.505247591
+C      0.94076638     -0.17638269     -0.01028178
+C      2.43829806     -0.06338053     -0.00480900
+C      3.18327764     -1.37910289     -0.01098950
+C      3.11786025      1.11815975      0.00191602
+C      2.50195339      2.50120526      0.00625514
+C      4.54375909      1.10861167      0.00371002
+C      5.76193532      1.15551665      0.00507114
+H      0.41826451      0.78616410     -0.01293245
+H      0.60015769     -0.74661763      0.87040535
+H      0.60632761     -0.74818426     -0.89229696
+H      2.48877908     -2.22875194      0.02951913
+H      3.87125766     -1.45498478      0.84459477
+H      3.79952261     -1.48497197     -0.91720394
+H      1.40697799      2.47641824     -0.00235174
+H      2.83962015      3.07334127     -0.87105654
+H      2.82602733      3.06183299      0.89611288
+H      6.83215523      1.18260674      0.00629746 
+
+19
+-1931.4329927912515 14.488825 14.65753 -8.02 -6.1409 -8.008 0.8582 -0.6171 0.478 7.44448 0.14231 4.8778448134 4.8778448134 0.733081164
+C      0.96677031      0.17095644      0.21398742
+C      2.39745675     -0.21256422     -0.07253444
+C      2.53081441     -1.59824950     -0.64653678
+C      3.38446178      0.67903263      0.19781853
+C      4.84218016      0.64362000      0.04446189
+C      5.58063218     -0.54679512     -0.51989881
+C      5.54718404      1.73442107      0.42738249
+H      0.88520420      1.17865541      0.64115018
+H      0.50233015     -0.54097817      0.91719665
+H      0.35896934      0.13587650     -0.70612291
+H      2.08492346     -2.33435452      0.04354929
+H      3.55694677     -1.90757692     -0.85353793
+H      1.95450000     -1.67466749     -1.58428194
+H      3.03999951      1.63127063      0.61804103
+H      5.25236089     -0.77903634     -1.54393246
+H      5.42417293     -1.44829037      0.09119946
+H      6.65920988     -0.34467146     -0.54979272
+H      5.05207753      2.61565121      0.83961868
+H      6.63382571      1.76988023      0.33738238 
+
+19
+-1927.4251227238992 13.942668 14.91435 -8.7408 -6.719 -8.602 1.3134 -0.109 1.089 8.02643 -0.61124 5.7914728502 5.7914728502 0.590690012
+C      0.68606616      0.32663415      0.13146495
+C      2.09216455     -0.21532522      0.17766482
+C      2.18818569     -1.66844573      0.56142559
+C      3.14276142      0.57523433     -0.11553371
+C      4.60768846      0.21820344     -0.12179449
+C      5.38984478      1.02842550      0.88078619
+C      6.37448692      1.88214096      0.57806359
+H      0.66593246      1.38730083     -0.15202573
+H      0.19081729      0.22148956      1.11133798
+H      0.07032440     -0.23569994     -0.59040892
+H      1.62357635     -2.29333998     -0.15042492
+H      1.73108814     -1.83690456      1.55071835
+H      3.21763860     -2.04422910      0.59719990
+H      2.93338912      1.62024871     -0.37252776
+H      5.02751282      0.39713238     -1.12731721
+H      4.74589587     -0.85386629      0.09237222
+H      5.09252866      0.90053721      1.92804008
+H      6.69011033      2.04051458     -0.45681768
+H      6.89914800      2.44692921      1.35005678 
+
+17
+-1770.743467443114 13.215575 14.49402 -9.0567 -6.915 -8.726 0.8463 -0.0564 1.288 8.18262 -0.62093 4.3497264464 10.6428838484 0.754305114
+C      0.79371854      0.04265858      0.07226623
+C      2.28354776     -0.18451755      0.04144016
+C      2.70587208     -1.60059932      0.32944248
+C      3.12114251      0.83327114     -0.22800545
+C      4.63166185      0.79065745     -0.28592946
+C      5.16062306      1.25380724     -1.56850973
+C      5.58274939      1.64532622     -2.63747444
+H      0.53446116      1.08816298     -0.13971897
+H      0.37461514     -0.22459818      1.05648532
+H      0.28488890     -0.59641296     -0.66839473
+H      2.22162570     -2.29505433     -0.37656387
+H      2.37790696     -1.90378626      1.33753080
+H      3.78878921     -1.75937853      0.26581267
+H      2.68830935      1.81745595     -0.43388863
+H      5.01181193     -0.22238185     -0.08464528
+H      5.04629204      1.43389714      0.51215447
+H      5.95721441      1.98485228     -3.58130157 
+
+19
+-1921.8135070069416 13.252153 14.00211 -9.4945 -7.3413 -9.269 0.9846 0.0566 1.275 8.80201 -0.67398 6.434377456 6.434377456 0.375219393
+C      0.91008856     -0.01082810      0.07172740
+C      2.46004349      0.04752303      0.06313366
+C      2.99705322     -0.74247494      1.27361230
+C      2.95058934     -0.63560558     -1.20496490
+C      3.85509465     -0.17006566     -2.07312753
+C      2.86731359      1.50532036      0.08510665
+C      3.63371727      2.12232901      0.99108472
+H      0.48928470      0.54374310     -0.77924166
+H      0.51533085      0.42689173      0.99975987
+H      0.56290271     -1.05299642      0.00509889
+H      2.60610040     -0.32883641      2.21519893
+H      4.09504870     -0.72219627      1.30648165
+H      2.68227622     -1.79422334      1.20989098
+H      2.50405630     -1.62237711     -1.38147642
+H      4.33788243      0.80023601     -1.93853129
+H      4.14696598     -0.75585958     -2.94608203
+H      2.45587223      2.09590240     -0.74247584
+H      4.07929298      1.59708803      1.83785938
+H      3.84162640      3.19052974      0.91179524 
+
+17
+-1766.0636756106705 12.770574 13.717 -9.6291 -7.4841 -9.418 0.8976 0.055 1.295 8.93085 -0.67674 4.314402835 10.5954344062 0.648081938
+C      0.97083451      0.00330543      0.13588740
+C      2.51620663     -0.01931933     -0.00598880
+C      3.13371355     -0.76167715      1.20901560
+C      2.87766915     -0.77704861     -1.27638642
+C      3.55652273     -0.30638655     -2.32543164
+C      3.01665833      1.35925900     -0.03197118
+C      3.42027073      2.50440356     -0.03060195
+H      0.51246694      0.53275627     -0.70922907
+H      0.67970201      0.50750737      1.06760912
+H      0.58210866     -1.02540767      0.15835954
+H      2.85357212     -0.26072021      2.14582731
+H      4.22856933     -0.78217959      1.13449210
+H      2.76445154     -1.79726192      1.24192330
+H      2.51889645     -1.81298210     -1.28020325
+H      3.92503539      0.72126447     -2.34676491
+H      3.76125959     -0.93847831     -3.19021140
+H      3.77439235      3.51493533     -0.02560576 
+
+21
+-2067.9663395550338 13.417721 14.50945 -9.5061 -7.2994 -9.482 0.9838 -0.0313 1.365 8.93537 -0.78436 6.6428351178 6.6428351178 0.45039953
+C      0.93670250      0.04182174     -0.00348418
+C      2.45794670     -0.18758635      0.00524677
+C      2.83978501     -0.97768010      1.26953774
+C      2.86165460     -0.98412428     -1.24661073
+C      3.15167455      1.20805558     -0.00324182
+C      4.65238997      1.19610887      0.01582255
+C      5.43560801      1.68022990     -0.95597661
+H      0.62571934      0.60715135     -0.89562299
+H      0.61469672      0.60776321      0.88451500
+H      0.39553781     -0.91671002     -0.00690264
+H      2.57893497     -0.41921782      2.18217741
+H      3.91579878     -1.20208835      1.30224312
+H      2.30238851     -1.93778394      1.29953692
+H      2.57584142     -0.44847575     -2.16538049
+H      2.36333650     -1.96551667     -1.25996874
+H      3.94786369     -1.15144517     -1.28191171
+H      2.78912772      1.76454515      0.88089478
+H      2.80645049      1.76508523     -0.89088200
+H      5.12844213      0.76540910      0.90397071
+H      5.01082454      2.12597134     -1.85954853
+H      6.52392605      1.65206698     -0.88159454 
+
+19
+-1913.3019947159346 12.861612 14.11423 -9.8597 -7.6078 -9.798 0.8631 -0.0727 2.308 9.38731 -1.94682 4.342733636 10.4289212082 0.698769045
+C      0.80294693      0.26489624      0.01120716
+C      2.32091218      0.02095187      0.01424117
+C      2.72088482     -0.75118262      1.28156653
+C      2.72177732     -0.77719208     -1.23657158
+C      3.02316872      1.41348147      0.00005913
+C      4.47994416      1.37156183      0.00063983
+C      5.69403797      1.33396003      0.00109064
+H      0.48930245      0.82176305     -0.88541891
+H      0.48870542      0.84018288      0.89592069
+H      0.25696284     -0.69017416      0.02090541
+H      2.42797173     -0.20231219      2.19004537
+H      3.80766043     -0.91323743      1.31899384
+H      2.22643020     -1.73376880      1.30699643
+H      2.42959622     -0.24715855     -2.15639914
+H      2.22725457     -1.76005751     -1.24210237
+H      3.80856704     -0.94004920     -1.26982517
+H      2.68330295      1.99108949      0.87742789
+H      2.68351220      1.97295691     -0.88906143
+H      6.76437182      1.30801877      0.00141451 
+
+15
+-1607.1704119810317 12.37408 13.63409 -9.9173 -7.706 -9.445 0.9438 -0.0036 1.83 9.11023 -1.52456 4.2965984454 10.6978344436 0.961319247
+C      0.95912128     -0.00541040     -0.01601984
+C      2.51259563     -0.01899785      0.00400674
+C      3.01835707     -0.73278352      1.28803281
+C      3.01040666     -0.73657271     -1.18301766
+C      3.39681081     -1.35592207     -2.15188029
+C      3.01408977      1.36669804     -0.01465456
+C      3.40656327      2.51441942      0.00334723
+H      0.59039308      0.49661118     -0.91857615
+H      0.58402283      0.52913132      0.86683210
+H      0.58155620     -1.03650424     -0.00313107
+H      2.64999515     -0.20035350      2.17499432
+H      4.11462308     -0.74852654      1.31308894
+H      2.64740315     -1.76622405      1.30550887
+H      3.74787368     -1.89372738     -3.00870637
+H      3.76351833      3.52396229      0.00977492 
+
+21
+-2072.800117359268 13.771668 15.05425 -8.719 -6.6218 -8.585 0.8474 -0.0157 1.548 8.01033 -0.84527 6.00402205 6.00402205 0.398555145
+C      2.16549190     -0.64697624      1.52617934
+C      2.81359897     -0.28325070      0.17760515
+C      1.84547831     -0.56729914     -0.98514874
+C      3.23913844      1.16169630      0.16814902
+C      4.47413213      1.68072876      0.02927442
+C      5.73226370      0.87140554     -0.15114506
+C      4.69106237      3.17260581      0.04480076
+H      2.86596187     -0.48905457      2.35855326
+H      1.84606859     -1.70028222      1.53805854
+H      1.27579323     -0.02429418      1.71273963
+H      3.69782160     -0.92788901      0.04501847
+H      0.94310245      0.05966532     -0.90383439
+H      1.52389590     -1.61998962     -0.98242555
+H      2.31624398     -0.35267635     -1.95499594
+H      2.41005716      1.87239080      0.29225692
+H      5.55531798     -0.21046137     -0.16392221
+H      6.45074161      1.08884048      0.65675212
+H      6.23535602      1.14452874     -1.09386341
+H      3.74981587      3.72148771      0.18280568
+H      5.15400728      3.51422266     -0.89649540
+H      5.38166064      3.46365128      0.85414737 
+
+19
+-1930.7230139213686 14.813583 15.17363 -8.3634 -6.4471 -8.232 0.7792 -0.7636 0.384 7.74237 0.1947 5.0367204738 5.0367204738 0.833178633
+C      0.72502530     -0.36342137      0.05144862
+C      2.25252712     -0.21732577     -0.07548726
+C      2.84514986     -1.39086245     -0.87724011
+C      2.61341010      1.09713273     -0.70768306
+C      3.34644354      2.06980270     -0.12815711
+C      3.68234800      3.33248160     -0.75957535
+C      4.41393064      4.30425930     -0.18090103
+H      0.29509405      0.45042428      0.65167855
+H      0.46445169     -1.32007696      0.52856985
+H      0.24639476     -0.34210603     -0.94039723
+H      2.68727117     -0.23798869      0.93944073
+H      2.44263548     -1.40694504     -1.90242840
+H      2.59365296     -2.35159070     -0.40339678
+H      3.93928047     -1.31490800     -0.94496322
+H      2.23874120      1.25773879     -1.72821214
+H      3.72301835      1.91459531      0.89087349
+H      3.30363800      3.48404804     -1.77696524
+H      4.80867250      4.18979634      0.83155939
+H      4.63848481      5.23623591     -0.69943371 
+
+17
+-1772.3285150419713 13.96763 14.76214 -8.7722 -6.7768 -8.472 0.7221 -0.8484 0.6 8.04379 -0.01391 4.0935341746 5.903903355 0.456424881
+C      0.80357779     -0.20365189     -0.09354018
+C      2.33578888     -0.07698760     -0.01217972
+C      3.01173415     -0.86491461     -1.14910923
+C      2.74860243      1.36605698     -0.05202920
+C      3.41054855      2.00621457      0.93478909
+C      3.79744182      3.36938137      0.89262933
+C      4.14695605      4.53627896      0.89478357
+H      0.31530998      0.32114522      0.73922824
+H      0.50049185     -1.26080169     -0.06184484
+H      0.42424366      0.22633218     -1.03390833
+H      2.66907445     -0.50186522      0.95114383
+H      2.72105885     -0.46176619     -2.13199112
+H      2.71151522     -1.92289938     -1.11845322
+H      4.10673046     -0.81393469     -1.07338701
+H      2.48373638      1.92523047     -0.95751348
+H      3.67901293      1.45417664      1.84339412
+H      4.45059657      5.56279488      0.88875812 
+
+19
+-1927.5615878618926 13.67297 14.09786 -8.5533 -6.6515 -8.538 0.6582 -0.9164 0.318 7.9485 0.20867 5.2304857946 5.2304857946 0.710437938
+C      1.09563022     -0.47129268      0.22972464
+C      2.49731850     -0.01031791     -0.22002833
+C      3.03663890     -0.93393103     -1.31818933
+C      2.47711914      1.46390454     -0.60321014
+C      2.46445220      1.88501900     -1.88690481
+C      2.45397514      2.47524018      0.46112384
+C      2.53482502      2.26683328      1.78838555
+H      0.68994229      0.16833059      1.02459644
+H      1.13015045     -1.50564149      0.60317481
+H      0.39552775     -0.43850381     -0.61890263
+H      3.17561364     -0.10554733      0.64657437
+H      2.36473181     -0.96491011     -2.18945167
+H      3.12057566     -1.96201261     -0.93689220
+H      4.03041074     -0.61455426     -1.66294068
+H      2.50080348      1.19689112     -2.73067777
+H      2.42151943      2.95015396     -2.12275541
+H      2.37420739      3.50881561      0.10632425
+H      2.62083841      1.27014977      2.22411159
+H      2.52199987      3.10521318      2.48514750 
+
+17
+-1770.7390065935065 13.148372 13.91921 -8.9699 -6.9375 -8.755 0.6874 -0.8812 0.604 8.22286 -0.04455 4.058991675 6.0389489062 0.424982298
+C      1.16787157     -0.18785660      0.33680207
+C      2.63555079     -0.05052449     -0.10856060
+C      2.89183498     -0.82045348     -1.40517264
+C      3.03538249      1.42328832     -0.17930663
+C      3.38497443      2.06559200     -1.31379653
+C      3.01877228      2.12531972      1.06483653
+C      3.00403588      2.67660492      2.15031553
+H      0.98539031      0.34301431      1.28077936
+H      0.90856997     -1.24662250      0.48120576
+H      0.49378743      0.22985424     -0.42654449
+H      3.26322933     -0.49580659      0.68488843
+H      2.25895415     -0.44974239     -2.22621750
+H      2.65126483     -1.88327469     -1.26051990
+H      3.94246291     -0.75152114     -1.72118648
+H      3.41569803      1.55087512     -2.27330596
+H      3.64994294      3.12232351     -1.29790290
+H      3.00262768      3.17451973      3.09815595 
+
+21
+-2066.659959291746 13.339658 14.4868 -9.4996 -7.3272 -9.43 0.9544 0.0409 1.389 8.86007 -0.79665 6.6211871622 6.6211871622 0.442879604
+C      3.30060947     -1.36305404      0.55976231
+C      2.58933926     -0.08923588      1.02945553
+C      2.40958396     -0.10068337      2.55393027
+C      3.29901330      1.18967036      0.48548283
+C      2.44218953      2.45243982      0.68749298
+C      4.67326048      1.39581348      1.06690178
+C      5.82256089      1.32488273      0.38482809
+H      3.37806368     -1.39761529     -0.53774953
+H      2.75490556     -2.26044831      0.88747132
+H      4.32127488     -1.41972387      0.96837331
+H      1.58078737     -0.08053626      0.57584892
+H      3.37863620     -0.16527879      3.07230799
+H      1.81807312     -0.97632491      2.85959069
+H      1.88524271      0.79343372      2.92037670
+H      3.41871168      1.03548609     -0.60240890
+H      2.34201731      2.70964882      1.75263532
+H      1.43085427      2.30932940      0.27758105
+H      2.89820366      3.31533750      0.18231650
+H      4.71103362      1.64483998      2.13450304
+H      5.83731022      1.08951586     -0.68294580
+H      6.78647884      1.50126296      0.86521559 
+
+19
+-1911.4972498816203 12.904989 14.27244 -9.8188 -7.5815 -9.666 0.9307 0.0078 2.342 9.20546 -1.9232 4.311055213 10.335596946 0.364597312
+C      0.93881014     -0.08125053      0.14822813
+C      2.46493606     -0.03615250      0.00615196
+C      2.90267611     -0.77614865     -1.26313460
+C      3.00615743      1.42664340      0.02062462
+C      2.55850782      2.23674474      1.25600686
+C      4.46724997      1.44968114     -0.07551957
+C      5.68145683      1.47184563     -0.11196767
+H      0.59028331      0.32428780      1.10733616
+H      0.58363952     -1.11989658      0.08136054
+H      0.45063373      0.48672020     -0.66093946
+H      2.91342381     -0.54699569      0.87767951
+H      2.45153403     -0.31695100     -2.15787524
+H      2.57865517     -1.82648493     -1.22974175
+H      3.99394732     -0.75658771     -1.38566659
+H      2.60599974      1.92952357     -0.88194765
+H      2.86971829      1.73089875      2.18171746
+H      1.46841568      2.36250433      1.27348255
+H      3.01783356      3.23360799      1.24493250
+H      6.75114147      1.49184003     -0.15785777 
+
+17
+-1775.1456057205828 14.116978 15.23506 -8.719 -6.669 -8.454 0.7311 -0.8376 0.629 8.00215 -0.07071 3.7861356848 5.9224516606 0.499462241
+C      0.96197514     -0.09366864      0.01822423
+C      2.50126592     -0.02787580     -0.01495013
+C      3.07354497     -0.79427863     -1.22475714
+C      2.97386316      1.35551337      0.00362018
+C      3.34493518      2.51900875      0.00227043
+C      3.83622722      3.84915408      0.00565132
+C      3.07095800      4.95858561      0.00569826
+H      0.56296689      0.43046361      0.89660797
+H      0.62781687     -1.14062392      0.05453261
+H      0.53779822      0.37446105     -0.88170133
+H      2.88124404     -0.51664494      0.90186530
+H      2.71840924     -0.34885976     -2.16513205
+H      2.74927393     -1.84454929     -1.19412244
+H      4.17117600     -0.76788453     -1.22696307
+H      4.92681476      3.95680788      0.00807993
+H      1.98194530      4.89780493      0.00306109
+H      3.52607517      5.94879623      0.00823483 
+
+15
+-1620.5245941132603 14.115178 15.06507 -9.116 -7.0553 -8.62 0.9178 -0.6634 1.039 8.26288 -0.61718 3.1981320798 7.8489833244 1.982509579
+C      0.97749639     -0.01254086      0.01984478
+C      2.51973066      0.02117055     -0.01312923
+C      3.08036048     -0.75735983     -1.22152387
+C      3.01447682      1.39271083      0.00173849
+C      3.42260660      2.54669206      0.00019281
+C      3.87714531      3.82785591      0.00088704
+C      4.28505025      4.97894925      0.00084455
+H      0.58900793      0.51709318      0.89930659
+H      0.62665506     -1.05367265      0.05477637
+H      0.56301367      0.46429244     -0.87954180
+H      2.89012712     -0.46746336      0.90748346
+H      2.73687115     -0.30579984     -2.16289893
+H      2.73335874     -1.79984490     -1.18872973
+H      4.17802894     -0.75391072     -1.21952146
+H      4.64231088      5.98751793      0.00059095 
+
+21
+-2071.005627315033 13.410529 14.60843 -9.1589 -6.9932 -9.109 0.8906 -0.0379 1.46 8.47381 -0.81391 6.3745418124 6.3745418124 0.412846203
+C      1.09702684     -0.13451139     -0.18833315
+C      2.61932848     -0.29205172     -0.09725822
+C      3.14213128     -1.23156002     -1.18908474
+C      3.30184014      1.09473661     -0.15958303
+C      4.80430904      1.08978347      0.00734060
+C      5.33904946      0.58525789      1.32277578
+C      5.62167391      1.52998351     -0.96246409
+H      0.71029030      0.51781619      0.60906321
+H      0.59116734     -1.10784187     -0.10437136
+H      0.80731412      0.30921627     -1.15473701
+H      2.85040689     -0.74316845      0.88472617
+H      2.91121721     -0.83064248     -2.18949207
+H      2.67590190     -2.22469140     -1.11076117
+H      4.23232861     -1.35848099     -1.12928398
+H      2.86148484      1.72619823      0.63461184
+H      3.04455046      1.57156074     -1.12089272
+H      4.89992142      1.14411006      2.16559179
+H      6.43151980      0.68031349      1.37657129
+H      5.08197132     -0.47421850      1.48263758
+H      5.22899972      1.89874252     -1.91248474
+H      6.70638690      1.54032783     -0.83449195 
+
+21
+-2067.3372292219397 13.378769 14.59904 -9.5496 -7.3107 -9.484 1.0967 0.029 1.376 8.94548 -0.80178 6.6536714942 6.6536714942 0.436433031
+C      1.43307294     -1.40086606      0.32968908
+C      2.90959188     -1.08603776      0.59873569
+C      3.79982063     -2.25400872      0.15654855
+C      3.30166293      0.23921506     -0.07938714
+C      4.71934081      0.75723661      0.23228799
+C      4.94503907      1.05734381      1.68632466
+C      5.93527701      0.56179594      2.43798548
+H      0.77850475     -0.58370781      0.66904648
+H      1.11968354     -2.32104270      0.84522125
+H      1.25366287     -1.54635527     -0.74866071
+H      3.03961873     -0.95557019      1.68878112
+H      3.73681429     -2.40284156     -0.93433337
+H      3.48413214     -3.19141236      0.63853684
+H      4.85566818     -2.09111067      0.41470791
+H      2.57190591      1.01411364      0.21595883
+H      3.19925060      0.12505375     -1.17367243
+H      4.87141359      1.68579636     -0.34687365
+H      5.48241425      0.04571586     -0.12204917
+H      4.22599727      1.74599949      2.14884144
+H      6.67373074     -0.12845841      2.02102802
+H      6.04668787      0.83154097      3.48924313 
+
+19
+-1911.9381330215522 12.863263 14.26892 -10.0111 -7.6057 -9.806 0.8917 -0.0243 2.376 9.38615 -1.95287 4.353830383 10.6467770088 0.571418053
+C      0.77723432     -0.30143028      0.70964354
+C      2.15530056     -0.47800908      0.06074966
+C      2.37633164     -1.93739905     -0.35643894
+C      2.31193203      0.50036460     -1.11526278
+C      3.70685198      0.52388719     -1.77732947
+C      4.78463135      0.89700273     -0.86768962
+C      5.67272374      1.20838687     -0.09989136
+H      0.62031283      0.73529990      1.04333277
+H      0.66236825     -0.95840281      1.58448165
+H     -0.02800158     -0.55032057     -0.00124249
+H      2.92392909     -0.21663544      0.81008618
+H      1.65571461     -2.23816937     -1.13516493
+H      2.23871343     -2.61277962      0.50094605
+H      3.38979451     -2.10965733     -0.74641041
+H      2.07748331      1.51910278     -0.76547683
+H      1.56952791      0.25415632     -1.89518855
+H      3.69189758      1.23474358     -2.62017225
+H      3.93555592     -0.46084397     -2.21799178
+H      6.46143853      1.48352357      0.56998956 
+
+17
+-1768.6724227892644 12.857098 13.87208 -9.394 -7.2918 -9.18 1.3131 -0.043 1.245 8.54645 -0.61888 4.3277809244 10.5193689952 0.632151299
+C      0.93634457     -0.16601064     -0.17576280
+C      2.46247419      0.05730566     -0.04659243
+C      3.19222846     -0.74221431     -1.03463791
+C      3.78834439     -1.40513255     -1.85935051
+C      2.84025877      1.53871802     -0.13303245
+C      2.61892168      2.23139701     -1.44918480
+C      3.33524491      2.16895466      0.94146526
+H      0.40850388      0.42004940      0.58869464
+H      0.69648404     -1.22841082     -0.03772647
+H      0.57280209      0.13573767     -1.16670543
+H      2.76879370     -0.29671859      0.95316121
+H      4.31667847     -1.99450908     -2.58046521
+H      1.55546636      2.22334043     -1.73535040
+H      3.16814402      1.71946013     -2.25419543
+H      2.95115798      3.27612362     -1.40644434
+H      3.50079958      1.64709161      1.88624218
+H      3.59280290      3.22938779      0.90808488 
+
+19
+-1922.806127158058 13.527159 14.46012 -9.4384 -7.2376 -9.436 1.484 0.0156 1.334 8.98934 -0.76211 6.5563424842 6.5563424842 0.521190946
+C      0.90620882      0.29941382      0.29172166
+C      2.41591419      0.24650012      0.00287482
+C      2.69115833     -0.64347485     -1.23844557
+C      4.14679931     -0.89823250     -1.49720139
+C      4.71254441     -2.10995107     -1.54611510
+C      2.96342998      1.63615986     -0.18614717
+C      3.89974490      2.21701566      0.57241873
+H      0.69845728      0.89431188      1.19189845
+H      0.50094328     -0.71193031      0.44457544
+H      0.36066031      0.75719114     -0.54861638
+H      2.92625219     -0.21251435      0.86766428
+H      2.24039398     -0.14744539     -2.11896755
+H      2.16475198     -1.60399005     -1.11340525
+H      4.77344076     -0.01106504     -1.64179262
+H      4.12390625     -3.02008493     -1.40032235
+H      5.77967636     -2.23498797     -1.73625347
+H      2.53032506      2.20066787     -1.02314932
+H      4.35763894      1.69087638      1.41418504
+H      4.23975365      3.23575973      0.37930775 
+
+17
+-1766.6996945401354 13.039325 14.20584 -9.631 -7.4116 -9.492 1.4538 -0.0786 1.228 9.02253 -0.64825 4.3463416286 10.6228477108 0.43491379
+C      1.06175311     -0.04345950      0.54468033
+C      2.50250764      0.00424125      0.00270005
+C      2.61429646     -0.61189588     -1.42274887
+C      2.30173289     -2.07845258     -1.45834784
+C      1.34417234     -2.64630578     -2.20052309
+C      3.02248401      1.37093612      0.00769368
+C      3.43664322      2.51259393     -0.00820595
+H      1.01681094      0.35427910      1.56683129
+H      0.69131743     -1.07748437      0.54977082
+H      0.39455547      0.56041745     -0.08712312
+H      3.14376564     -0.59669836      0.67433984
+H      3.64585285     -0.44997363     -1.77725906
+H      1.94891533     -0.06000589     -2.10565000
+H      2.92879651     -2.71769232     -0.82407512
+H      0.69667152     -2.04855295     -2.84746762
+H      1.17931692     -3.72475074     -2.19393755
+H      3.80678770      3.51731416     -0.01318779 
+
+17
+-1767.1939749520247 13.054692 14.20243 -9.6447 -7.422 -9.454 1.4961 -0.0365 1.244 8.95348 -0.65743 4.3525781244 6.5967123258 0.433269777
+C      0.84968446     -0.00719752      0.23480986
+C      2.30733607      0.17334566     -0.21448663
+C      2.64118645     -0.74177882     -1.42845863
+C      2.49563397     -2.16409395     -1.14785084
+C      2.38377284     -3.34601324     -0.89196388
+C      2.58984528      1.60762140     -0.57200034
+C      3.49543672      2.38888863      0.02640207
+H      0.63959384      0.60244356      1.12404470
+H      0.64498333     -1.06006497      0.47412828
+H      0.15321923      0.30279992     -0.56047747
+H      2.97457957     -0.11934869      0.61381186
+H      3.67485281     -0.54139019     -1.75409802
+H      1.98848750     -0.46813962     -2.27645489
+H      2.28448725     -4.39016948     -0.67649806
+H      1.98323796      2.02139536     -1.38847498
+H      4.11625357      2.01596496      0.84551154
+H      3.64571916      3.42617699     -0.27654456 
+
+15
+-1609.9361664865833 12.391483 13.67231 -9.8576 -7.5713 -9.746 0.8806 -0.0754 2.114 9.44977 -1.84552 4.3507679288 10.8146912486 0.56790147
+C      0.95350133      0.00284752      0.05692364
+C      2.49288985     -0.01210902      0.01406292
+C      2.99423084     -0.81497769     -1.22295302
+C      4.43200363     -1.04323968     -1.24307488
+C      5.62913332     -1.24208612     -1.24436536
+C      3.03268966      1.34623408      0.02514638
+C      3.44941196      2.48629313      0.01999111
+H      0.59728543      0.55150360      0.93785033
+H      0.56178896     -1.02325635      0.10299095
+H      0.54492343      0.49420992     -0.83743790
+H      2.86560991     -0.53203264      0.91383498
+H      2.68883933     -0.28173972     -2.13849272
+H      2.47308635     -1.78667791     -1.23152920
+H      6.68677869     -1.40815872     -1.25324817
+H      3.83289731      3.48600961      0.01950096 
+
+17
+-1783.1863235170567 14.338492 15.34031 -8.21 -6.1679 -7.94 0.9883 -0.4317 0.799 7.52231 -0.14418 3.8431072518 10.7155768402 0.464841531
+C      0.93874596     -0.04494846     -0.00006003
+C      2.39172460      0.00645370      0.00013952
+C      3.61176612      0.06063435      0.00022508
+C      5.02895662      0.05621904      0.00011359
+C      5.82421045      1.15586350      0.00104997
+C      5.27469259      2.55194675      0.00236411
+C      7.32025161      1.02601443      0.00087639
+H      0.50409003      0.96597638      0.01173271
+H      0.55769618     -0.58246595      0.88213625
+H      0.55715070     -0.56197733     -0.89419938
+H      5.50632177     -0.93013097     -0.00080716
+H      4.17772909      2.55621783      0.00186169
+H      5.62984504      3.11055325     -0.87968282
+H      5.62899316      3.10855393      0.88602426
+H      7.64209881     -0.02372556     -0.00005034
+H      7.75796465      1.52160183      0.88370494
+H      7.75794262      1.52316329     -0.88107878 
+
+15
+-1639.0231995998988 16.290898 15.69938 -8.0541 -6.1757 -7.838 -0.016 -1.4685 -0.136 7.35709 0.72018 3.7496714022 4.993474157 0.533159289
+C      0.92806144     -0.05989340     -0.02614874
+C      2.37918159     -0.00150960     -0.00485309
+C      3.59907698      0.05931217      0.02169700
+C      5.00940091      0.07998712      0.03046076
+C      5.77216513      1.11747264      0.47255437
+C      7.21543500      1.10459390      0.46650452
+C      7.98836412      2.12293542      0.89863743
+H      0.48859188      0.94876636     -0.03096296
+H      0.53964113     -0.58911094      0.85802786
+H      0.56394074     -0.59178312     -0.91812975
+H      5.51479430     -0.81531316     -0.35142871
+H      5.27463776      2.01440165      0.85499552
+H      7.69485675      0.19759428      0.08078491
+H      7.54779831      3.04286066      1.28974816
+H      9.07617396      2.06287604      0.87252271 
+
+13
+-1479.8674578808984 15.394286 15.36644 -8.3881 -6.4711 -8.013 -0.1528 -1.6459 -0.028 7.61221 0.59375 3.7493862344 10.580035345 0.759381832
+C      0.92131845     -0.02871643     -0.00000114
+C      2.37279953      0.00333377      0.00018049
+C      3.59363055      0.04203464      0.00021887
+C      5.00309014      0.02796720      0.00024182
+C      5.78165512      1.14593852     -0.00002422
+C      7.19206230      1.12434782     -0.00006480
+C      8.41077644      1.15439379     -0.00013893
+H      0.49987732      0.98711731      0.01206455
+H      0.53759750     -0.56465847      0.88158647
+H      0.53742535     -0.54347841     -0.89407356
+H      5.49197002     -0.95146916      0.00044905
+H      5.30008976      2.12822229     -0.00022587
+H      9.48133752      1.16470711     -0.00021273 
+
+15
+-1636.014463651896 14.042106 14.44644 -8.4786 -6.5086 -8.238 0.2391 -1.2374 0.084 7.68641 0.52461 3.8093582626 5.0935556562 0.519594789
+C      0.97754161      0.05418642      0.01467153
+C      2.43071285      0.02422847      0.00501634
+C      3.64837642     -0.02302417     -0.00742966
+C      5.07741509     -0.04036400     -0.01158432
+C      5.76122265     -1.16929768     -0.33197712
+C      5.79681909      1.19432540      0.33979849
+C      5.21978939      2.36048153      0.67237340
+H      0.59962631      1.08710003      0.03655192
+H      0.57718912     -0.46831320      0.89686099
+H      0.56524653     -0.43654425     -0.87977765
+H      5.24395794     -2.09100665     -0.59383567
+H      6.85203426     -1.17400644     -0.33290320
+H      6.88808179      1.11442818      0.31658534
+H      4.13328572      2.46227545      0.70201273
+H      5.82033122      3.23517090      0.92129687 
+
+13
+-1475.3117942164815 13.625265 14.51279 -8.7303 -6.7193 -8.38 0.0244 -1.4661 0.152 7.8661 0.47307 3.8052667246 10.1757293976 0.588751273
+C      0.98729486      0.05575943      0.00004714
+C      2.43842489      0.00003978      0.00010035
+C      3.65550226     -0.05208925      0.00006033
+C      5.08468386     -0.07869404      0.00000083
+C      5.79006485     -1.23967834     -0.00010269
+C      5.74782677      1.19134029      0.00004949
+C      6.29045132      2.27920377      0.00009087
+H      0.63234154      1.09673538      0.01128946
+H      0.57145902     -0.45298006      0.88281285
+H      0.57237843     -0.43335904     -0.89418844
+H      5.27545481     -2.19926545     -0.00014700
+H      6.87876950     -1.22569391     -0.00014105
+H      6.77156789      3.23561143      0.00012787 
+
+19
+-1918.8116187067671 13.307684 15.17425 -9.2228 -7.0673 -9.088 0.8203 -0.0527 2.432 8.61613 -2.0457 4.112367648 10.0777184646 0.7964444
+C      0.95837759     -0.00008514     -0.00074396
+C      2.41476628     -0.00009146     -0.00092127
+C      3.63160972     -0.00002610     -0.00059633
+C      5.10265159      0.00006880      0.00132405
+C      5.61254719     -0.71743818      1.27264191
+C      5.61668870     -0.74140304     -1.25440992
+C      5.61470906      1.45904719     -0.01174638
+H      0.55932150      1.02565077      0.01099180
+H      0.55943515     -0.52294063      0.88184812
+H      0.55902475     -0.50283430     -0.89474370
+H      5.25650695     -0.20592143      2.17773975
+H      6.71322961     -0.72634691      1.28691941
+H      5.25534835     -1.75623755      1.30313131
+H      5.26130785     -0.24886774     -2.17023973
+H      5.26213664     -1.78150901     -1.26498038
+H      6.71741304     -0.74787596     -1.26636351
+H      5.26314345      1.98715771     -0.90904583
+H      6.71540842      1.47418060     -0.00678679
+H      5.25483416      2.00598239      0.87085144 
+
+17
+-1772.4107266018018 13.422176 15.10994 -9.3199 -7.1018 -8.954 1.235 -0.0094 1.231 8.52606 -0.65088 4.1107930258 10.1696912794 0.508810401
+C      0.94844538     -0.01233718     -0.00130512
+C      2.40412697     -0.00784425     -0.00957393
+C      3.62061667     -0.00696235      0.00200307
+C      5.08700424      0.01553281     -0.00859031
+C      5.65096119     -0.82499381     -1.17791788
+C      5.59240946      1.44269476     -0.07518795
+C      6.38511691      2.01090431      0.83806785
+H      0.54838039      1.01278373      0.01576932
+H      0.55853014     -0.53683720      0.88410301
+H      0.54360102     -0.51446470     -0.89289380
+H      5.44676294     -0.42628930      0.93859289
+H      5.33536638     -0.40299104     -2.14260342
+H      5.28314632     -1.85828678     -1.12039406
+H      6.74892135     -0.83283860     -1.14154222
+H      5.26819982      2.01204730     -0.95345457
+H      6.71267344      1.46575380      1.72732569
+H      6.73022738      3.04015850      0.73096143 
+
+15
+-1613.9576470917561 12.760497 14.72499 -9.54 -7.2706 -9.096 0.8289 -0.0649 1.942 8.70473 -1.63339 4.1324285828 10.2004770032 0.926351031
+C      0.93598228     -0.04045301      0.00356008
+C      2.39070356     -0.01386101     -0.00179824
+C      3.60518990      0.02068185     -0.00002168
+C      5.07391397      0.03001994     -0.02116419
+C      5.63245681     -0.76839123     -1.22616729
+C      5.60528312      1.39999439     -0.00027024
+C      6.07156108      2.51988065      0.00671576
+H      0.52350422      0.97954298      0.00270915
+H      0.55044119     -0.55751376      0.89486795
+H      0.54401364     -0.56111845     -0.88286876
+H      5.42643334     -0.46824064      0.90244903
+H      5.30721309     -0.30811945     -2.16757167
+H      5.26148655     -1.80069049     -1.19013358
+H      6.72962944     -0.77618071     -1.19550164
+H      6.47423782      3.51194892      0.01451533 
+
+13
+-1485.1690199477152 16.199005 16.24902 -8.3827 -6.4822 -8. -0.0275 -1.5245 0.093 7.53191 0.56435 2.8893325482 7.6559371224 0.988380008
+C      0.94282383     -0.02803987     -0.00001360
+C      2.39115207     -0.00557588      0.00006471
+C      3.61613473      0.01421741      0.00009928
+C      4.97023369      0.03372428      0.00010641
+C      6.19920067      0.07072231      0.00008094
+C      7.60870481      0.04719999      0.00002743
+C      8.40073431      1.14076428     -0.00006940
+H      0.52983429      0.99211044      0.01175682
+H      0.55520170     -0.55887952      0.88302819
+H      0.55500569     -0.53841272     -0.89495878
+H      8.07152865     -0.94649869     -0.00002272
+H      7.98092220      2.14696245     -0.00001550
+H      9.48553336      1.03933552     -0.00009378 
+
+11
+-1330.3069030197885 16.540231 16.08154 -8.7636 -6.8195 -8.135 -0.1 -1.5994 0.235 7.76473 0.22337 2.587153869 6.6447692994 3.072201437
+C      1.09530284      0.01552415      0.03398035
+C      2.54206031      0.01154217      0.02305191
+C      3.76838842      0.00898038      0.01311893
+C      5.11641135      0.00586455      0.00423719
+C      6.35013035      0.00305666     -0.00196999
+C      7.69944846      0.00041834     -0.00594537
+C      8.92332603     -0.00185808     -0.00665777
+H      0.70339728      1.04402329      0.04797217
+H      0.70548790     -0.50626298      0.92135920
+H      0.69194043     -0.48758999     -0.85804274
+H      9.99352663     -0.00377848     -0.00656388 
+
+19
+-1919.201552108093 13.323584 15.34023 -9.3655 -7.0499 -9.174 0.8538 -0.0115 2.472 8.7264 -2.03148 4.1354786384 9.957501639 0.663486982
+C      0.92039200      0.02954889      0.07962322
+C      2.37657347      0.04184363      0.07503498
+C      3.59321080      0.04395121      0.06921709
+C      5.05234299      0.06592045      0.05667015
+C      5.67036311      1.48683493      0.04532210
+C      5.28378103      2.27574069      1.29907009
+C      7.19131427      1.39536553     -0.11258027
+H      0.51305952      1.05182909      0.05321710
+H      0.52759720     -0.46214351      0.98269822
+H      0.52293727     -0.50938510     -0.79396155
+H      5.41488205     -0.48864297     -0.82643092
+H      5.43623382     -0.48046739      0.93821620
+H      5.25844337      2.01160364     -0.83470147
+H      5.68902112      1.79317021      2.20371169
+H      4.19191869      2.33608692      1.40870371
+H      5.68316693      3.29979132      1.25861866
+H      7.64365180      0.86252942      0.73982057
+H      7.64419094      2.39664015     -0.15576645
+H      7.47157963      0.85878289     -1.03160312 
+
+17
+-1775.8265938886132 13.248118 14.85997 -9.3535 -7.1319 -9.032 0.9121 -0.0683 1.331 8.51506 -0.69701 4.1320690234 10.069089039 0.749421257
+C      0.95542107     -0.02089451     -0.10660536
+C      2.40962551     -0.00320990     -0.03554978
+C      3.62377927      0.00823164      0.03180642
+C      5.08408569      0.03739125      0.11479375
+C      5.67813329      1.43398986     -0.01732994
+C      5.37577407      2.16444835     -1.29502766
+C      6.43889949      1.95081859      0.95732250
+H      0.54533099      1.00030009     -0.10623833
+H      0.52218572     -0.55315854      0.75361718
+H      0.60444469     -0.52185916     -1.02138626
+H      5.49759675     -0.60164089     -0.68816385
+H      5.41052772     -0.41043601      1.06706859
+H      5.74801770      1.60020532     -2.16645764
+H      5.83307221      3.16200632     -1.30676447
+H      4.28843418      2.27121132     -1.43195409
+H      6.63986851      1.40030511      1.87838025
+H      6.88362314      2.94336116      0.86263868 
+
+15
+-1620.639553918961 13.007561 15.71683 -9.3148 -7.0065 -8.929 0.7899 -0.0402 2.035 8.63376 -1.72513 4.128423835 10.064625543 1.230693737
+C      0.89788625     -0.11471267     -0.00203156
+C      2.35179344     -0.05211537     -0.00134215
+C      3.56480156      0.01021014     -0.00029762
+C      5.02941411      0.06896513      0.00228268
+C      5.57293373      1.43031798      0.00212960
+C      6.03619916      2.55311149      0.00170554
+C      6.58140869      3.90237607     -0.00000513
+H      0.46018500      0.89475348      0.00886330
+H      0.52148156     -0.65216555      0.88121124
+H      0.52121744     -0.63319764     -0.89642106
+H      5.41728383     -0.47766815     -0.87637986
+H      5.41385374     -0.47635959      0.88325095
+H      5.80976778      4.63910973     -0.26927066
+H      7.40344883      3.99896811     -0.72492891
+H      6.97382487      4.17552684      0.99098363 
+
+17
+-1773.2794492438434 13.519843 15.47104 -9.3369 -7.0796 -9.171 1.1139 -0.0101 1.29 8.97683 -0.70724 4.1476168678 10.1410257162 0.801698163
+C      0.94736504     -0.02448103     -0.01957622
+C      2.40334879     -0.00831807     -0.00777727
+C      3.61963156     -0.01050274      0.00231013
+C      5.07781052      0.02041693      0.01950922
+C      5.65702490      1.45607725     -0.05624478
+C      7.15677965      1.46520187     -0.07821366
+C      7.93558208      2.05719716      0.83456382
+H      0.53713232      0.99657965     -0.01202919
+H      0.54780781     -0.55040317      0.86060210
+H      0.56106262     -0.53222467     -0.91617272
+H      5.46971803     -0.57413990     -0.82399006
+H      5.44987777     -0.46775470      0.93596879
+H      5.28440463      2.04443343      0.79595663
+H      5.26704175      1.93243240     -0.97158808
+H      7.62960450      0.93361660     -0.91341847
+H      7.50641247      2.59633003      1.68339351
+H      9.02388558      2.02933895      0.76365626 
+
+15
+-1617.378303823063 13.02588 15.17281 -9.5447 -7.2745 -9.258 0.8029 -0.0685 2.057 9.4841 -1.86865 4.1479392314 10.170323608 1.024563143
+C      0.93492550     -0.01391504     -0.00005372
+C      2.39063529     -0.01415463     -0.00003500
+C      3.60679453     -0.02645118      0.00000496
+C      5.06414653     -0.00542638      0.00001000
+C      5.63460637      1.43880114      0.00006382
+C      7.09079064      1.46480782      0.00000753
+C      8.30492843      1.45865575     -0.00003970
+H      0.53821802      1.01235681      0.01154550
+H      0.53650101     -0.53578934      0.88288215
+H      0.53643676     -0.51578193     -0.89448213
+H      5.45134717     -0.54076564     -0.88188119
+H      5.45135645     -0.54084097      0.88185148
+H      5.25221164      1.97607669      0.88244853
+H      5.25214186      1.97615887     -0.88224042
+H      9.37568978      1.46526804     -0.00008180 
+
+21
+-2071.3355496981976 13.717006 15.04187 -8.6004 -6.6123 -8.614 0.9159 0.0279 1.54 8.02573 -0.83425 6.0131598182 6.0131598182 0.391155011
+C      3.87839251     -1.65262886      1.31684906
+C      4.30785054     -0.93064009      0.02875764
+C      4.02383851      0.54378473      0.07233735
+C      4.89177676      1.57375304      0.02426664
+C      6.38549394      1.42244310     -0.11012333
+C      4.38595065      2.99984067      0.09628644
+C      4.84096533      3.77045171      1.34625498
+H      4.03405859     -2.73834011      1.23387782
+H      2.81251840     -1.48097769      1.53192281
+H      4.45370257     -1.28814904      2.18053557
+H      3.75991289     -1.37319563     -0.82224514
+H      5.37384103     -1.12511842     -0.16033746
+H      2.95992038      0.79737997      0.17020662
+H      6.69962211      0.38229344     -0.25475610
+H      6.90734917      1.80573192      0.78124838
+H      6.75630712      2.01067890     -0.96578130
+H      3.28546899      2.99319216      0.05403323
+H      4.73053946      3.54736358     -0.80044033
+H      4.51343366      3.25815387      2.26289256
+H      4.41671103      4.78493394      1.35340049
+H      5.93488635      3.87202881      1.38996407 
+
+19
+-1931.3084067360453 14.515121 14.80783 -8.2821 -6.3386 -8.178 0.7555 -0.7094 0.419 7.62281 0.15391 4.9871260738 4.9871260738 0.748248599
+C      2.21953927     -0.75057242     -1.48700267
+C      2.91370774     -0.38307289     -0.16390483
+C      3.39519072      1.03513765     -0.14405451
+C      4.65859303      1.50527143      0.01377117
+C      5.86686373      0.62836250      0.21762707
+C      4.86769960      2.95442485     -0.01103359
+C      6.04400681      3.59485991      0.13252636
+H      1.83872102     -1.78160565     -1.45805052
+H      2.91649219     -0.66586271     -2.33306163
+H      1.36861891     -0.08252296     -1.68727779
+H      3.73538978     -1.08747672      0.03062470
+H      2.18966805     -0.52048055      0.66017532
+H      2.60748910      1.78563200     -0.29029323
+H      5.61976515     -0.43868723      0.19933004
+H      6.34914716      0.84740381      1.18320539
+H      6.61891321      0.81558844     -0.56468081
+H      3.96262382      3.55391302     -0.16160808
+H      6.98403210      3.06224863      0.28613407
+H      6.09564861      4.68319888      0.09915356 
+
+17
+-1773.0842931619406 13.782159 14.57734 -8.5516 -6.5818 -8.345 0.8455 -0.6643 0.695 7.86357 -0.09332 4.0790650084 5.7647538672 0.407240926
+C      1.61203629     -0.24732756      1.54160269
+C      2.32294771      0.02811578      0.20539745
+C      3.00750172      1.36009596      0.18810974
+C      4.32240112      1.62189315     -0.01593587
+C      5.39248615      0.58754948     -0.28628549
+C      4.78112976      2.97388304      0.01280011
+C      5.22996181      4.10605664      0.02968762
+H      1.07400100     -1.20539399      1.50920387
+H      0.88149267      0.54212218      1.77246234
+H      2.33403187     -0.28638940      2.36971893
+H      1.56993784      0.01232763     -0.60329644
+H      3.02652777     -0.78715218     -0.01577238
+H      2.35821025      2.22215438      0.37519827
+H      5.00048047     -0.43512383     -0.25332664
+H      6.20198401      0.67474162      0.45285688
+H      5.84369051      0.75392643     -1.27587713
+H      5.60506905      5.10857065      0.04682605 
+
+19
+-1933.6766949125408 15.201131 15.71961 -8.0596 -6.1308 -7.973 0.915 -0.5502 0.469 7.53149 0.15186 4.8744351984 4.8744351984 0.788751083
+C      1.31338265     -0.39779395     -0.69879296
+C      2.63713827     -0.22113021      0.06403884
+C      3.03443970      1.21542383      0.21859938
+C      4.16571832      1.76821505     -0.26748266
+C      4.53148598      3.16349655     -0.12296356
+C      5.66338317      3.71353964     -0.61032183
+C      6.05176342      5.15068417     -0.47119904
+H      1.03955940     -1.46032115     -0.77097449
+H      1.39109264      0.00733473     -1.71789539
+H      0.49024384      0.12762686     -0.19180510
+H      3.44137710     -0.77432056     -0.44730000
+H      2.52870796     -0.67879472      1.06399286
+H      2.32929260      1.85865190      0.76116843
+H      4.87134896      1.12942974     -0.81406775
+H      3.82634697      3.80327881      0.42281501
+H      6.36283765      3.06706677     -1.15415776
+H      5.29566313      5.72377118      0.08344699
+H      6.18620705      5.62572832     -1.45699080
+H      7.01484116      5.25538305      0.05520984 
+
+21
+-2070.9280859772425 13.848654 15.37208 -9.0167 -6.9228 -8.897 0.9878 0.0757 1.501 8.33878 -0.83825 6.2479273092 6.2479273092 0.420683988
+C      1.71420502     -0.49842181      1.22414325
+C      2.62958784     -0.18713216      0.02956824
+C      3.01873196      1.26138486     -0.04680598
+C      4.26849957      1.73763003      0.03692307
+C      4.66207074      3.19028131     -0.02471887
+C      5.32752250      3.63356825      1.29004103
+C      5.59329236      3.45775357     -1.22003292
+H      1.41783899     -1.55736581      1.23021186
+H      0.79576823      0.10676861      1.18926234
+H      2.22217194     -0.27894876      2.17440279
+H      2.10512988     -0.47190883     -0.90003601
+H      3.53701084     -0.81042759      0.08012717
+H      2.19258561      1.97561722     -0.16712561
+H      5.09769509      1.02630973      0.16194236
+H      3.74203970      3.78552717     -0.16362259
+H      6.24485076      3.05317721      1.47832941
+H      4.65412639      3.48651164      2.14608684
+H      5.60736512      4.69712714      1.24868846
+H      6.52278063      2.87328266     -1.12909022
+H      5.87111080      4.52148588     -1.26972652
+H      5.11319601      3.18158969     -2.16932811 
+
+19
+-1932.8862307347274 14.487423 14.94923 -8.2537 -6.3732 -8.219 0.7629 -0.7365 0.426 7.68698 0.14981 5.049019885 5.049019885 0.760568972
+C      2.41652803     -0.92260763     -1.14063200
+C      3.61883862     -0.31362501     -0.40128285
+C      3.26366637      0.92134943      0.37083520
+C      3.79992175      2.14100059      0.16258683
+C      3.46716960      3.36635514      0.88876911
+C      2.43556740      3.30781980      1.98664843
+C      4.08235954      4.52599932      0.56813610
+H      2.70462892     -1.84178409     -1.67078841
+H      2.00980406     -0.21461780     -1.87700628
+H      1.60721336     -1.17838016     -0.44030822
+H      4.42371350     -0.08316115     -1.11765030
+H      4.02437249     -1.07102174      0.29371705
+H      2.49850796      0.79680620      1.14613122
+H      4.56061744      2.24880041     -0.62034285
+H      1.46541035      2.95720225      1.60150590
+H      2.28761291      4.29621198      2.43977479
+H      2.73987604      2.60761970      2.78012866
+H      4.82915804      4.56813050     -0.22724068
+H      3.85518361      5.45694226      1.08955832 
+
+17
+-1778.8200339409118 14.521747 15.90826 -8.4295 -6.3665 -8.158 0.8658 -0.5816 0.731 7.75324 -0.11671 3.8706073466 5.7382332618 0.4593439
+C      1.91540136     -0.50989609      1.66317126
+C      2.47536632     -0.08420712      0.29581620
+C      2.97512593      1.32721742      0.28773333
+C      4.24202651      1.69319055     -0.00435684
+C      4.72634118      3.02531859     -0.00509570
+C      5.19190500      4.15338238     -0.01729767
+C      5.73160838      5.50299405     -0.02364297
+H      1.52495255     -1.53689284      1.62529037
+H      1.09388764      0.15079703      1.97782642
+H      2.69462635     -0.46646632      2.43736415
+H      1.67478186     -0.18703623     -0.45901569
+H      3.28444328     -0.76673598     -0.01075843
+H      2.25359713      2.10872131      0.55177703
+H      4.96843691      0.91330221     -0.26524322
+H      4.96734374      6.23684791     -0.32099797
+H      6.57395765      5.59185735     -0.72617216
+H      6.09841821      5.79016578      0.97409190 
+
+19
+-1925.3893583118943 13.967851 15.15386 -9.0515 -7.0069 -8.877 1.3708 -0.1942 1.043 8.35096 -0.59886 6.0077788258 6.0077788258 0.677526208
+C      2.57186434     -1.12898489      1.18972391
+C      3.17102025     -0.44837833     -0.05086514
+C      3.09717320      1.04983535      0.01549766
+C      4.15030600      1.87836387     -0.01193172
+C      4.07778650      3.38188736      0.07632706
+C      4.80885051      3.91751321      1.28106221
+C      5.86460135      4.73805805      1.23736337
+H      2.62812556     -2.22392628      1.10689098
+H      1.51347428     -0.85669683      1.31997649
+H      3.10876039     -0.82613640      2.10036846
+H      2.62700509     -0.80006884     -0.94582804
+H      4.22022075     -0.75890022     -0.18092906
+H      2.09033537      1.48069157      0.10665996
+H      5.15912424      1.45381160     -0.09090560
+H      3.01811470      3.68779991      0.11938978
+H      4.50932682      3.83421018     -0.83356397
+H      4.43588893      3.57303927      2.25248883
+H      6.26972611      5.09404988      0.28613754
+H      6.35803561      5.08330154      2.14707729 
+
+17
+-1768.6563257896248 13.239272 14.70522 -9.3762 -7.2107 -9.014 1.295 -0.0029 1.239 8.51873 -0.6117 4.3554793968 10.7061663028 0.765246785
+C      1.77350327     -0.65927644     -1.12659215
+C      2.69574147     -0.25859698      0.03489878
+C      3.02512435      1.20582950      0.03654030
+C      4.25741852      1.72077308     -0.04843635
+C      4.56384335      3.20129336     -0.03856193
+C      5.32364400      3.63472066     -1.20968428
+C      5.95709898      3.97641155     -2.18721938
+H      1.52491823     -1.72918126     -1.08108414
+H      2.25289831     -0.45901286     -2.09544841
+H      0.82955702     -0.09426255     -1.09776714
+H      3.62722057     -0.84579008     -0.00253053
+H      2.19988421     -0.51755917      0.98738654
+H      2.17016764      1.89257978      0.09932244
+H      5.12260294      1.05367868     -0.13006204
+H      5.14522294      3.45503768      0.86669707
+H      3.62513704      3.77596371      0.02519923
+H      6.50950716      4.28512132     -3.05089800 
+
+19
+-1931.609960877938 14.177483 14.64999 -8.2911 -6.3341 -8.23 0.7659 -0.7145 0.415 7.6767 0.15751 5.0354558166 5.0354558166 0.723511504
+C      2.25614194     -0.47885512      1.41335862
+C      2.22330164      0.19023892      0.02847511
+C      2.90684635      1.54224979      0.00034156
+C      2.17878762      2.68097713      0.02536070
+C      4.36856998      1.61847190     -0.03445601
+C      5.23089712      0.58630919     -0.13250262
+C      6.71978564      0.72611746     -0.18099646
+H      1.77183298     -1.46556647      1.38175480
+H      1.72552796      0.13805469      2.15271477
+H      3.28532937     -0.61585135      1.77285928
+H      1.17656068      0.31893003     -0.28588237
+H      2.68965695     -0.47646298     -0.71547667
+H      1.08769251      2.65828426      0.03774911
+H      2.65727470      3.66242242      0.03296657
+H      4.78511320      2.63248317      0.01264851
+H      4.84205595     -0.43649407     -0.18541575
+H      7.03062815      1.77906014     -0.13241546
+H      7.13204983      0.28857175     -1.10514389
+H      7.19858743      0.18824914      0.65407017 
+
+21
+-2069.0910923643005 13.264705 14.60273 -9.1144 -6.9829 -9.088 0.8931 -0.0213 1.48 8.42495 -0.80589 6.363085506 6.363085506 0.381092956
+C      0.94893782     -0.11721050     -0.15914499
+C      2.44846949      0.13032809     -0.00991801
+C      2.90815006      1.57388241     -0.00209283
+C      2.05155888      2.60683592     -0.02314770
+C      4.42238216      1.75562822      0.02673508
+C      5.02642812      1.53117866     -1.37485873
+C      4.88862272      3.10091724      0.59419798
+H      0.73603510     -1.19548838     -0.15801491
+H      0.56479393      0.29943039     -1.10179204
+H      0.37944065      0.33456916      0.66617523
+H      2.98653167     -0.40642790     -0.81142875
+H      2.80634302     -0.33697229      0.92654575
+H      0.97261441      2.45689040     -0.07041394
+H      2.39539154      3.64114149      0.00595727
+H      4.82199989      0.96094900      0.68546086
+H      4.68114215      2.31411921     -2.06710670
+H      4.74160651      0.55789621     -1.79809723
+H      6.12524364      1.56947847     -1.33500129
+H      4.60540171      3.93675874     -0.06359162
+H      5.98475042      3.11561986      0.68462551
+H      4.45894611      3.28923561      1.58826103 
+
+19
+-1926.720574483031 13.389435 14.15317 -8.7149 -6.6544 -8.658 0.8788 -0.5716 0.762 8.04013 -0.26182 5.3630516258 6.6053293528 0.482637571
+C      2.45556564     -0.49031988      1.47788358
+C      2.77184086     -0.00027731      0.05481175
+C      3.19495719      1.45892572     -0.02334940
+C      2.27125569      2.43391755     -0.12014007
+C      4.64745042      1.78215058      0.01766273
+C      5.50783426      1.07330579      1.03636078
+C      5.18005537      2.66582750     -0.84768881
+H      2.13010212     -1.54103810      1.46211038
+H      1.65022585      0.11156161      1.92261902
+H      3.32830495     -0.42027928      2.14199925
+H      1.87357627     -0.12666664     -0.56958357
+H      3.55097241     -0.63864109     -0.39261193
+H      1.20704172      2.19740811     -0.19427981
+H      2.55105295      3.48812780     -0.11089588
+H      5.16937135      1.29405587      2.06105683
+H      6.55753196      1.38099538      0.94513118
+H      5.46272763     -0.02014266      0.91416781
+H      4.57220292      3.14427914     -1.61646730
+H      6.24237045      2.91670990     -0.81531653 
+
+17
+-1777.992517275008 13.746997 14.91355 -8.6099 -6.5452 -8.4 0.836 -0.6376 0.745 7.87388 -0.15393 3.8282289318 10.6499262532 0.486459192
+C      2.84261717     -0.60592458      1.44353838
+C      2.47576869      0.01564229      0.08956566
+C      2.92096433      1.46137770     -0.04684784
+C      2.03888203      2.47303801     -0.19715170
+C      4.32729437      1.70097924     -0.00240014
+C      5.53811386      1.84477290      0.03775103
+C      6.97767939      2.04262919      0.08223626
+H      2.52360920     -1.65687623      1.48826765
+H      2.35691071     -0.06441977      2.26828362
+H      3.92866677     -0.57157759      1.60972908
+H      1.38725000     -0.03061247     -0.06741151
+H      2.94405410     -0.57191925     -0.71796156
+H      0.96644136      2.27520136     -0.23144639
+H      2.37037436      3.50712037     -0.29030141
+H      7.23265123      3.11279809      0.09026247
+H      7.46858196      1.58723814     -0.79146268
+H      7.41445046      1.58618259      0.98364908 
+
+19
+-1925.168095176356 13.408718 14.36842 -9.2723 -7.1389 -9.131 1.2434 -0.2181 1.038 8.45481 -0.58683 6.223973214 6.223973214 0.630623374
+C      0.40531515      0.21308180     -0.00436409
+C      1.91168873      0.37452321      0.18181150
+C      2.45585753      1.78189257      0.10913902
+C      1.69974291      2.86466249     -0.12778246
+C      3.95436122      1.90890713      0.33448029
+C      4.36443631      1.60506265      1.75263729
+C      5.22060408      0.64586468      2.12207241
+H      0.12048026     -0.84567954      0.06790287
+H      0.07690196      0.58013128     -0.98768920
+H     -0.15616080      0.76247293      0.76539802
+H      2.44542664     -0.23175656     -0.57386804
+H      2.21781584     -0.06014799      1.14981481
+H      0.62242167      2.79806103     -0.28323634
+H      2.14390496      3.86093911     -0.17648702
+H      4.26094651      2.93791883      0.08395084
+H      4.49408799      1.23149656     -0.34989543
+H      3.90403873      2.23741379      2.52042552
+H      5.69741582     -0.00700109      1.38633269
+H      5.47895450      0.48474712      3.16982729 
+
+17
+-1768.654876328611 12.810349 14.00221 -9.4644 -7.3384 -9.263 1.0838 -0.1302 1.249 8.61732 -0.60937 4.349242901 10.4395964028 0.463607454
+C      0.85572748      0.19244841     -0.34149323
+C      2.36792647      0.37041999     -0.23321839
+C      2.86368167      1.77973625     -0.02264517
+C      2.07130155      2.85403846      0.09389492
+C      4.37780978      1.92876948      0.08017113
+C      5.09904562      1.48610126     -1.11132477
+C      5.69505281      1.11867792     -2.10310246
+H      0.60542402     -0.86606596     -0.49683748
+H      0.44449773      0.76017677     -1.18887460
+H      0.34101835      0.52605360      0.57151171
+H      2.85835038     -0.02637391     -1.13945574
+H      2.75795785     -0.25426971      0.59223473
+H      0.98484382      2.77674517      0.04538038
+H      2.48894340      3.85167107      0.24099263
+H      4.74020732      1.34203016      0.94458360
+H      4.63132440      2.98010975      0.28824410
+H      6.21916737      0.79596130     -2.97919135 
+
+19
+-1929.59048513982 14.08147 14.46602 -8.2246 -6.3334 -8.186 0.7204 -0.8039 0.374 7.6267 0.19713 4.9497566934 4.9497566934 0.693106567
+C      1.81520861     -0.29338651     -1.33294311
+C      2.23906757      0.22661238      0.05117198
+C      2.90537528      1.58844357      0.00987772
+C      2.06600216      2.77537155     -0.15960824
+C      0.71908559      2.80581857     -0.19252380
+C      4.25692860      1.66935807      0.11620974
+C      5.13299156      2.88217260      0.07780583
+H      1.31326321     -1.26824931     -1.24726400
+H      2.69250707     -0.41861667     -1.98400627
+H      1.12659170      0.40103028     -1.83344520
+H      2.93554468     -0.49285984      0.50843823
+H      1.35981766      0.26490047      0.71547914
+H      2.59030655      3.72923694     -0.26157414
+H      0.10759788      1.90707509     -0.09759514
+H      0.18561352      3.74888468     -0.31336943
+H      4.79450774      0.72330515      0.25224746
+H      4.58295462      3.82190595     -0.05103683
+H      5.86521463      2.80501374     -0.74284999
+H      5.72094139      2.96326330      1.00692605 
+
+17
+-1773.0881727240578 13.54048 14.27457 -8.5363 -6.5707 -8.356 0.9096 -0.6342 0.688 7.86812 -0.09226 4.0708819324 11.208396393 0.440124535
+C      2.67273660     -0.66936550      1.42766688
+C      2.47044592     -0.02073919      0.05056103
+C      2.92173375      1.42863812      0.00886333
+C      2.09867635      2.50315637     -0.07958376
+C      0.60613054      2.50654822     -0.15873685
+C      4.33266641      1.63249595      0.08742085
+C      5.54424510      1.74426712      0.14894879
+H      2.37510606     -1.72744717      1.40725685
+H      2.07285971     -0.15873135      2.19488649
+H      3.72696493     -0.61729148      1.73436700
+H      1.41461115     -0.09145898     -0.24557151
+H      3.04703137     -0.58157672     -0.70290039
+H      2.57534852      3.48808312     -0.09427344
+H      0.16415197      1.50346033     -0.12674598
+H      0.26785124      2.99941396     -1.08510420
+H      0.17864242      3.09104521      0.67235282
+H      6.60640796      1.86521200      0.20602208 
+
+19
+-1922.032977834101 13.489842 14.43096 -9.4769 -7.3058 -9.223 1.3086 -0.2504 1.011 8.78935 -0.65497 6.2432902328 6.2432902328 0.470936117
+C      1.78406179     -0.86086183      0.92487975
+C      3.20043249     -0.36586011      0.63214431
+C      3.36035477      1.17388909      0.74570255
+C      3.11925390      1.64724039      2.15896755
+C      2.15156832      2.48803405      2.53993981
+C      4.73955889      1.58833573      0.29176801
+C      5.00048142      2.36935302     -0.76182383
+H      1.72365852     -1.95437293      0.82948402
+H      1.05885969     -0.42362404      0.22129628
+H      1.46388114     -0.58977901      1.94103277
+H      3.50044025     -0.66209714     -0.38577801
+H      3.91818065     -0.84798669      1.31871139
+H      2.61558773      1.65054883      0.08336717
+H      3.81133154      1.25077889      2.91310196
+H      1.44439441      2.90664462      1.81911641
+H      2.03436621      2.78983971      3.58190463
+H      5.57297776      1.19442373      0.88685684
+H      4.19708750      2.78474607     -1.37594898
+H      6.02292301      2.62269761     -1.04583262 
+
+17
+-1765.8259705920716 12.994331 14.13833 -9.6526 -7.5043 -9.325 1.4827 -0.1356 1.134 8.88308 -0.57123 4.3141052686 6.4658699 0.329306163
+C      2.80923481     -1.00835020     -0.74010701
+C      2.43867622      0.03797549      0.30933935
+C      3.03221364      1.44502434      0.02009843
+C      2.54705160      2.45767507      1.03685277
+C      1.74733271      3.48959930      0.75363676
+C      4.49694046      1.41499394     -0.00628475
+C      5.71111726      1.38486055      0.00112726
+H      2.36603331     -1.98288590     -0.49170466
+H      3.89907522     -1.13624522     -0.80486205
+H      2.44412210     -0.71888048     -1.73748640
+H      2.77962381     -0.28548755      1.30616987
+H      1.34503195      0.15303362      0.36706998
+H      2.67872022      1.76336010     -0.97844173
+H      2.88637286      2.29044605      2.06466384
+H      1.40437206      3.68492068     -0.26581528
+H      1.41042025      4.17732980      1.53037473
+H      6.78175153      1.36556041      0.00117891 
+
+21
+-2071.5569889036865 13.631734 14.72852 -8.3077 -6.3142 -8.315 0.8916 -0.0265 1.563 7.72544 -0.8171 5.7430191214 5.763365224 0.283905053
+C      2.16957077     -0.52244788      1.32940496
+C      2.50501916      0.05851612     -0.05456728
+C      3.07667757      1.46474520      0.00413813
+C      2.00679945      2.52976376      0.04665588
+C      4.40627487      1.72229473      0.02906716
+C      5.46417824      0.64436240      0.02458763
+C      5.00529080      3.10740417      0.06662909
+H      1.70138469     -1.51414057      1.24066445
+H      1.47257636      0.12695406      1.87983465
+H      3.07734782     -0.62636847      1.94165055
+H      1.58288529      0.08530580     -0.66050007
+H      3.18714572     -0.62477156     -0.58034507
+H      1.25497174      2.28862986      0.81612958
+H      1.46234880      2.57133007     -0.91231687
+H      2.38399047      3.53493799      0.26335753
+H      5.06211968     -0.37431552      0.04868658
+H      6.12846664      0.75967977      0.89787388
+H      6.11079150      0.73538123     -0.86520111
+H      4.26843264      3.91510302      0.00322353
+H      5.71315059      3.23706993     -0.76969756
+H      5.59201719      3.25468589      0.98954438 
+
+19
+-1931.6162951487336 14.751569 14.89707 -8.109 -6.2213 -8.04 0.7467 -0.7402 0.429 7.4985 0.19295 4.866698472 4.866698472 0.791123483
+C      2.20230767     -0.67459303      1.11129202
+C      2.56802283      0.18379922     -0.11173524
+C      2.37484646      1.66840374      0.09288591
+C      0.95951695      2.11875307      0.33762969
+C      3.44207454      2.50566887      0.05032086
+C      3.44329544      3.94345828      0.23627508
+C      4.55320736      4.70805829      0.19080933
+H      2.38831363     -1.73820178      0.90459204
+H      1.14187439     -0.57186789      1.38239509
+H      2.80462840     -0.38753863      1.98571361
+H      1.94838718     -0.14190704     -0.96760215
+H      3.61567681     -0.00848175     -0.39082956
+H      0.28368583      1.68637802     -0.41820880
+H      0.84371339      3.20826052      0.30877650
+H      0.59536409      1.77158770      1.31820600
+H      4.42491919      2.05875094     -0.14246161
+H      2.48541567      4.43524251      0.43089003
+H      5.53761013      4.27073652      0.00581102
+H      4.50823003      5.78684246      0.34016017 
+
+17
+-1775.4156697757808 13.798148 14.36084 -8.5608 -6.5503 -8.249 0.7408 -0.742 0.663 7.78347 -0.03432 4.0560532068 5.7431927018 0.40321413
+C      2.07739968     -0.68936534      1.45148576
+C      2.63337112     -0.18341234      0.10866643
+C      2.99581491      1.28081891      0.10846082
+C      1.87662208      2.27068008      0.25128450
+C      4.29144380      1.66334064     -0.02119287
+C      4.75855113      3.00044792     -0.03407624
+C      5.20920928      4.13299316     -0.04928153
+H      1.85379551     -1.76390921      1.39330723
+H      1.14851089     -0.17245276      1.73052927
+H      2.80691012     -0.53617304      2.25982528
+H      1.87711136     -0.36175209     -0.67699790
+H      3.51906893     -0.77713961     -0.16563637
+H      1.12330330      2.11727747     -0.53881203
+H      2.24107911      3.30330892      0.19369648
+H      1.35324917      2.14350576      1.21219660
+H      5.05868261      0.88920571     -0.12912911
+H      5.59309699      5.13213583     -0.06146632 
+
+21
+-2066.960734230377 13.273911 14.3446 -9.4921 -7.3322 -9.397 0.8974 0.0218 1.407 8.80778 -0.80097 6.6114542612 6.6114542612 0.436712107
+C      2.99283718     -0.81740519     -1.24896518
+C      2.51739105      0.04073698     -0.07476274
+C      3.01925346      1.51421756     -0.05977706
+C      2.53793403      2.26720512     -1.30858158
+C      2.43308886      2.20026473      1.19545342
+C      4.52785338      1.51583722      0.07811994
+C      5.42644379      2.07483412     -0.74071287
+H      2.64309247     -1.85353447     -1.13513566
+H      4.09070120     -0.83731657     -1.31291735
+H      2.60932650     -0.44706719     -2.21068081
+H      2.83064458     -0.43372378      0.87178469
+H      1.41363519      0.06201065     -0.05421725
+H      2.94443868      1.83753274     -2.23470395
+H      2.83532014      3.32540732     -1.26859631
+H      1.43984168      2.23014788     -1.37234097
+H      2.76146169      1.69347988      2.11575736
+H      1.33252914      2.17519278      1.16952841
+H      2.75333139      3.25066149      1.25354517
+H      4.89435784      0.99484749      0.97300793
+H      5.13780374      2.60891002     -1.64831539
+H      6.49442401      2.01666123     -0.52431983 
+
+19
+-1910.7316683079716 12.895311 14.24815 -9.8495 -7.567 -9.684 0.8626 -0.0346 2.366 9.21595 -1.9531 4.32649147 10.5344332942 0.38678579
+C      0.99075653     -0.21696555      0.01871001
+C      2.50884011     -0.02415026      0.01451109
+C      3.00860742      1.45439939      0.00010336
+C      2.52948247      2.19227735     -1.27200617
+C      2.52980318      2.21681492      1.25777120
+C      4.47792159      1.42462897      0.00016033
+C      5.69253491      1.39586653      0.00024674
+H      0.75162210     -1.28997500      0.02810565
+H      0.51401352      0.21370044     -0.87350662
+H      0.51714153      0.22860376      0.90524124
+H      2.94221525     -0.53116538     -0.86251221
+H      2.94490464     -0.51492433      0.89940245
+H      2.85187426      1.66033988     -2.17806138
+H      2.94700970      3.20776644     -1.30547937
+H      1.43342510      2.27295572     -1.28302242
+H      2.85142506      1.70197075      2.17392089
+H      1.43381906      2.29868000      1.26687444
+H      2.94825547      3.23237117      1.27197559
+H      6.76300810      1.37033520      0.00034518 
+
+21
+-2070.9146907886184 13.641947 15.06159 -9.0435 -6.9057 -8.922 0.9411 0.1097 1.489 8.37961 -0.84013 6.2504938194 6.2504938194 0.409094359
+C      3.06395534     -0.97549530     -0.94680406
+C      2.53959967     -0.08005260      0.17648770
+C      3.04318322      1.37895377      0.10905202
+C      2.33565418      2.24409030      1.16702979
+C      4.53736483      1.45695128      0.27988566
+C      5.40638394      1.94503672     -0.61577831
+C      6.89105272      2.02852538     -0.42552118
+H      2.68000098     -2.00114699     -0.85014802
+H      4.16250807     -1.02207076     -0.94138300
+H      2.75497897     -0.59483949     -1.93288234
+H      2.82031736     -0.50553104      1.15692012
+H      1.43643810     -0.06706679      0.15491101
+H      2.79179823      1.77893435     -0.89093884
+H      2.57262865      1.89187850      2.18372450
+H      1.24273129      2.20166352      1.04432760
+H      2.65107238      3.29443398      1.09469581
+H      4.92439134      1.08116703      1.23873700
+H      5.01618312      2.31997032     -1.57087512
+H      7.19552352      1.62662447      0.55117875
+H      7.24467741      3.07037228     -0.49192973
+H      7.42678667      1.46795107     -1.20880937 
+
+21
+-2069.8821168014156 13.295223 14.45186 -9.1404 -7.009 -9.078 0.8923 0.0147 1.475 8.42578 -0.82162 6.3565266466 6.3565266466 0.407535306
+C      3.23459834     -1.12404680     -0.71276810
+C      2.65930372     -0.13848345      0.30478219
+C      3.30667928      1.26387965      0.26601833
+C      2.58148292      2.21829716      1.23204357
+C      4.80598583      1.23013659      0.52656539
+C      5.27869506      0.69753485      1.85559775
+C      5.67671281      1.66590148     -0.39774530
+H      2.72071368     -2.09451731     -0.65842909
+H      4.30762249     -1.29852307     -0.54563953
+H      3.12282050     -0.74273786     -1.73958671
+H      2.74819160     -0.55379348      1.32361169
+H      1.57781862     -0.01400781      0.12656682
+H      3.17247169      1.65834403     -0.75735221
+H      2.62171529      1.85299668      2.26944561
+H      1.52023470      2.30794742      0.95622135
+H      3.02693359      3.22302754      1.20739131
+H      4.96652494     -0.34857828      2.00509276
+H      4.85917041      1.27372948      2.69519517
+H      6.37321298      0.73762396      1.93053764
+H      5.33618532      2.04832157     -1.36264469
+H      6.75439623      1.65565764     -0.21955394 
+
+19
+-1917.8335518050005 13.364485 15.48701 -9.2222 -7.0361 -9.114 0.8679 0.0001 2.479 8.65035 -2.02973 4.1258573248 10.1652897764 0.500701398
+C      0.96202099     -0.13144577     -0.08309739
+C      2.47970538     -0.01875675      0.07046633
+C      3.01727751      1.43373225      0.01563392
+C      2.48399205      2.31054115      1.16607601
+C      4.48203955      1.43894397     -0.00486146
+C      5.69885312      1.43286700     -0.00074658
+C      7.15524503      1.43170852     -0.00440388
+H      0.65396993     -1.18640630     -0.10939742
+H      0.61907241      0.33714197     -1.01882166
+H      0.42281181      0.34508451      0.74798039
+H      2.97401276     -0.59394668     -0.72771947
+H      2.80089275     -0.47238429      1.02292962
+H      2.66783415      1.87746655     -0.93650499
+H      2.77832667      1.88895528      2.13867084
+H      1.38807003      2.38047826      1.13339436
+H      2.89298932      3.32739157      1.09945782
+H      7.55492474      2.45701100     -0.01519593
+H      7.55219101      0.91030136     -0.88849648
+H      7.55651076      0.92745641      0.88764599 
+
+21
+-2066.3497951197996 13.356645 14.5961 -9.5189 -7.2939 -9.496 1.1015 -0.0121 1.369 8.95458 -0.7931 6.655382501 6.655382501 0.454485379
+C      2.80353667     -1.34952781      0.03007217
+C      2.29707830     -0.16546625      0.85727063
+C      2.88921974      1.20297614      0.47043278
+C      2.21736247      2.32932297      1.26393025
+C      4.43522375      1.27352740      0.59713330
+C      4.97148831      1.03623599      1.97962017
+C      5.65408163      1.93055913      2.70498317
+H      2.27486466     -2.27397030      0.30366084
+H      3.87786861     -1.53228503      0.17897995
+H      2.64128762     -1.18102431     -1.04604207
+H      2.47862846     -0.35348481      1.92967188
+H      1.20115507     -0.09775492      0.75087562
+H      2.66558268      1.36211532     -0.60117721
+H      2.41780933      2.22893722      2.34160031
+H      1.12677627      2.31577101      1.11916677
+H      2.58758836      3.31672198      0.94901346
+H      4.77056454      2.26255891      0.24367128
+H      4.87801197      0.53118796     -0.08938897
+H      4.78761669      0.04615194      2.41291372
+H      5.86839215      2.93115448      2.31940907
+H      6.02550272      1.69490297      3.70367289 
+
+19
+-1911.8141538415182 12.762745 14.11515 -9.9569 -7.6033 -9.822 0.9033 -0.0282 2.357 9.41126 -1.94687 4.346019265 10.5072927588 0.815700537
+C      2.84078088     -0.87955684     -1.06042397
+C      2.45029423     -0.04701172      0.16284065
+C      2.98356089      1.39559498      0.16247062
+C      2.42113036      2.19327178      1.34318719
+C      4.53499252      1.46211936      0.13545000
+C      5.18290079      0.82647395      1.27788975
+C      5.71344072      0.29085045      2.23037433
+H      2.35362765     -1.86474841     -1.03496888
+H      3.92510499     -1.05719701     -1.10905941
+H      2.53730333     -0.38429550     -1.99638289
+H      2.79570903     -0.55109807      1.08163524
+H      1.35064193      0.00090422      0.23226169
+H      2.64975356      1.87929193     -0.77423759
+H      2.75244002      1.76116452      2.29966739
+H      1.32147321      2.18749940      1.33085065
+H      2.75399117      3.24168475      1.31521846
+H      4.84420012      2.52033821      0.09355719
+H      4.91193799      0.99794743     -0.79053949
+H      6.18665660     -0.18294343      3.06586906 
+
+15
+-1607.138006546332 12.377452 13.78823 -9.9402 -7.6705 -9.53 0.9572 -0.0394 1.831 9.21097 -1.5456 4.3192506876 10.7217141472 0.860612653
+C      0.98066309     -0.11439599     -0.15706622
+C      2.49283063     -0.03625874      0.03164022
+C      3.03582921      1.42464351      0.00007320
+C      2.47366604      2.24268173      1.08260958
+C      1.98657889      2.89780982      1.97954197
+C      4.50327454      1.44575715      0.02306378
+C      5.71585963      1.42874857      0.02495945
+H      0.64255821     -1.15924703     -0.12347144
+H      0.67561534      0.30448057     -1.12816000
+H      0.45159140      0.43894083      0.63140156
+H      3.01280531     -0.59132078     -0.76328330
+H      2.79074541     -0.48839201      0.98929532
+H      2.71132699      1.87640419     -0.95792146
+H      1.56842451      3.48965170      2.76770784
+H      6.78655080      1.42472647      0.03261949 
+
+21
+-2070.6371822285755 13.53905 14.84151 -8.6099 -6.5798 -8.585 0.9155 0.0218 1.541 7.98885 -0.8381 5.9736082842 5.9736082842 0.355309268
+C      1.76958834     -0.18411739     -1.36007797
+C      2.34811849      0.21106366      0.00865477
+C      3.02480086      1.56618048      0.01500215
+C      2.10470928      2.76932882      0.00294142
+C      1.61633107      3.15754651      1.40923070
+C      4.36862396      1.65463824      0.05076650
+C      5.21136760      2.89530710      0.05711543
+H      1.26653650     -1.16055145     -1.30476641
+H      2.56701544     -0.25252007     -2.11402833
+H      1.03189965      0.54810843     -1.71968297
+H      3.06914270     -0.55642785      0.33078826
+H      1.53326490      0.20339059      0.75430067
+H      1.22935765      2.55099542     -0.63113238
+H      2.60278142      3.63474510     -0.45880403
+H      1.10778256      2.31735292      1.90452215
+H      0.90741606      3.99727175      1.36349796
+H      2.46054925      3.45594662      2.04724525
+H      4.93145367      0.71354502      0.08621544
+H      4.61992970      3.81733766     -0.01039551
+H      5.92676625      2.89002534     -0.78139279
+H      5.81485466      2.95475311      0.97761969 
+
+21
+-2067.447500048275 13.376521 14.68238 -9.404 -7.3305 -9.399 0.9626 0.1123 1.398 8.8221 -0.80499 6.600518696 6.600518696 0.429881143
+C      2.93469587     -0.94294548     -0.96911788
+C      2.58978872     -0.15880339      0.29743052
+C      3.13395802      1.28775277      0.31563779
+C      2.57886894      2.05833347      1.53492592
+C      2.91807017      3.54936207      1.54247954
+C      4.63877670      1.29764367      0.31063471
+C      5.41977197      1.82608556     -0.63872979
+H      2.52208725     -1.96121858     -0.92903577
+H      4.02222942     -1.02273969     -1.10919462
+H      2.52217768     -0.45032199     -1.86345996
+H      2.97304296     -0.69320946      1.18498525
+H      1.49409939     -0.11440334      0.41733293
+H      2.78211822      1.79788423     -0.60151065
+H      2.95773584      1.58319612      2.45747521
+H      1.48346639      1.92878498      1.55252168
+H      4.00499192      3.71477342      1.54510326
+H      2.49683355      4.04670939      2.42791227
+H      2.51028112      4.05189553      0.65139095
+H      5.11134421      0.81857838      1.17946684
+H      4.99264975      2.31215347     -1.52008150
+H      6.50850190      1.79281888     -0.57044670 
+
+19
+-1912.0976047110082 12.887261 14.35829 -9.846 -7.5902 -9.701 0.9516 -0.0045 2.366 9.34661 -1.92744 4.312047101 10.3780125566 0.402598807
+C      2.83129824     -0.90985000     -1.05312685
+C      2.44503927     -0.00893856      0.11906646
+C      3.01471610      1.42758167      0.02738631
+C      2.47046540      2.32384491      1.16625212
+C      2.89613184      3.78805433      1.06597775
+C      4.47821283      1.41724161      0.01378304
+C      5.69297423      1.39541977      0.03029508
+H      2.40468233     -1.91561920     -0.93213841
+H      3.92316758     -1.01125843     -1.13071619
+H      2.46305452     -0.50298359     -2.00758107
+H      2.78559642     -0.45696605      1.06714243
+H      1.34738298      0.07333023      0.18361016
+H      2.67782494      1.86320750     -0.93410059
+H      2.80082466      1.90029409      2.12906801
+H      1.37045402      2.25028452      1.14837912
+H      3.99075900      3.88423233      1.09756747
+H      2.47925741      4.37576388      1.89600320
+H      2.54625700      4.24190147      0.12582060
+H      6.76365122      1.38025952      0.03574133 
+
+17
+-1778.7360515942983 14.434158 15.84104 -8.4088 -6.338 -8.166 0.9574 -0.5332 0.723 7.76112 -0.11673 3.8322584768 11.5874587908 0.58469735
+C      0.96850149     -0.14169778      0.00315566
+C      2.50330477     -0.03478890     -0.00004464
+C      2.98678314      1.34010913      0.00020181
+C      3.35341338      2.50496082      0.00029789
+C      3.84084503      3.83561824      0.00073251
+C      3.07096895      4.94529150     -0.00626276
+C      3.60170369      6.34185917     -0.00571584
+H      0.65825389     -1.19592262      0.00270416
+H      0.54218179      0.34579701     -0.88389024
+H      0.54601450      0.34391527      0.89306177
+H      2.90954543     -0.56051120     -0.88158564
+H      2.91339706     -0.56219421      0.87868723
+H      4.93179519      3.95271732      0.00749419
+H      1.98283421      4.82470484     -0.01288779
+H      4.70042589      6.35960425      0.00094095
+H      3.24294531      6.90257317      0.87290907
+H      3.25364628      6.89919400     -0.89075832 
+
+19
+-1918.1753007771777 13.429259 15.487 -9.2336 -7.0292 -9.053 0.8684 -0.0208 2.448 8.57545 -2.01586 4.10517646 10.234114405 0.34090751
+C      0.96174693     -0.09536006      0.00490407
+C      2.49884160     -0.02846168      0.00783642
+C      3.01582968      1.33709686      0.00888417
+C      3.41845349      2.48596339      0.01119984
+C      3.89610857      3.87072090     -0.01254237
+C      4.97536929      4.07129166     -1.09422899
+C      2.72602425      4.85642076     -0.19886389
+H      0.62247226     -1.14080887      0.00204326
+H      0.55161847      0.40461649     -0.88300954
+H      0.54833511      0.40074043      0.89347419
+H      2.89291675     -0.56414368     -0.87254708
+H      2.88976205     -0.56625718      0.88833259
+H      4.36024116      4.08127053      0.96881350
+H      4.55848527      3.87919457     -2.09359265
+H      5.82082624      3.38760515     -0.94048339
+H      5.35277213      5.10411243     -1.06916507
+H      2.23426372      4.68955965     -1.16829107
+H      3.09184259      5.89324619     -0.16988078
+H      1.97366044      4.72987246      0.59096680 
+
+17
+-1777.9416477734624 13.938073 15.29423 -8.5666 -6.5253 -8.391 0.8981 -0.6129 0.742 7.87267 -0.15622 3.79335167 11.3477938528 0.567118468
+C      0.98771590     -0.12276833     -0.06638726
+C      2.52147381     -0.00295394     -0.05263722
+C      2.99364712      1.37545794     -0.01120874
+C      3.34372441      2.54408163      0.02786770
+C      3.83458522      3.88325547      0.06656260
+C      5.33324761      4.04615632     -0.05668114
+C      3.00175993      4.93738035      0.20471401
+H      0.68661378     -1.17890730     -0.10356844
+H      0.56505111      0.38984683     -0.94086037
+H      0.55384666      0.33040157      0.83500138
+H      2.94198384     -0.50101453     -0.94329904
+H      2.92934173     -0.54857812      0.81597515
+H      5.84959508      3.50115203      0.74766426
+H      5.61928124      5.10485799     -0.00807153
+H      5.69012908      3.62624234     -1.00911212
+H      1.92403606      4.80105369      0.29065786
+H      3.39235743      5.95548606      0.23256290 
+
+15
+-1628.1250599359169 14.790977 16.45688 -8.6331 -6.6197 -8.268 1.1037 -0.3491 1.209 7.92462 -0.73642 3.1004311118 7.6719189178 2.094359399
+C      0.96288365     -0.09035598      0.00355883
+C      2.50115841     -0.02144480      0.00003241
+C      3.01649582      1.33813598      0.00002934
+C      3.42238641      2.49339698      0.00009266
+C      3.87524047      3.77550236      0.00015749
+C      4.27900858      4.93077412      0.00019836
+C      4.75519256      6.30013549      0.00012651
+H      0.63026478     -1.13751762      0.00335415
+H      0.54847927      0.40650839     -0.88359280
+H      0.55262506      0.40486404      0.89354459
+H      2.89465120     -0.55523757     -0.88225080
+H      2.89876930     -0.55680506      0.87951630
+H      3.95284031      6.99883184     -0.28252002
+H      5.58243634      6.43343094     -0.71373984
+H      5.12050784      6.59432088      0.99598281 
+
+17
+-1771.7987408243612 13.403 15.22336 -9.3501 -7.1034 -9.015 1.5576 0.0019 1.232 8.57281 -0.66188 4.1189141088 10.3110353194 0.466028432
+C      0.97514175     -0.13737727     -0.00858560
+C      2.51099904     -0.04826932     -0.02596160
+C      3.00830480      1.32410654     -0.00738507
+C      3.39931973      2.47580771      0.01944783
+C      3.84871365      3.86749587      0.04088812
+C      2.71136165      4.85256512     -0.10904732
+C      2.45283453      5.84448325      0.74767025
+H      0.65293468     -1.18811657     -0.01090734
+H      0.54514745      0.35862961     -0.88921822
+H      0.56638942      0.34930119      0.88713718
+H      2.90109093     -0.56508010     -0.91912232
+H      2.92164134     -0.59160121      0.84191037
+H      4.56925937      4.02174568     -0.78365175
+H      4.39764334      4.07484793      0.97462217
+H      2.07844102      4.71139203     -0.99071570
+H      3.06027203      6.00068667      1.64280113
+H      1.62394527      6.53447286      0.58430786 
+
+15
+-1613.3701139096565 12.704892 14.78509 -9.5474 -7.2531 -9.155 0.8352 -0.0261 1.92 8.74505 -1.63777 4.141194393 10.3265087722 0.868825601
+C      0.94589542      0.14409022      0.00366146
+C      2.48317773      0.07370513     -0.00016770
+C      3.11559968      1.38896202     -0.00011477
+C      3.61303527      2.49741234     -0.00000043
+C      4.23316799      3.82461109      0.00008879
+C      3.27172088      4.93037230      0.00006699
+C      2.49302047      5.85971771      0.00004875
+H      0.51725400     -0.86769647      0.00347355
+H      0.57813078      0.67774274     -0.88287757
+H      0.58245332      0.67558206      0.89327590
+H      2.82680031     -0.49181895     -0.88268734
+H      2.83108342     -0.49393587      0.87931038
+H      4.89226490      3.92502322     -0.88050678
+H      4.89216365      3.92496761      0.88076658
+H      1.79869219      6.67487486      0.00003219 
+
+21
+-2070.510619385916 13.886043 15.59675 -9.0206 -6.8921 -8.953 1.029 0.1273 1.483 8.40621 -0.82922 6.2752910194 6.2752910194 0.417023749
+C      1.12122416      3.38247986     -1.23622785
+C      2.36048870      2.48665841     -1.21040067
+C      3.19851897      2.66205210      0.06880813
+C      4.41300598      1.78147104      0.10357896
+C      5.68190486      2.21028924      0.15668936
+C      6.89947439      1.33147170      0.15329992
+C      7.81683812      1.59401150     -1.05151134
+H      0.53727520      3.23587557     -2.15623341
+H      1.39950317      4.44656200     -1.18407977
+H      0.45857617      3.17213068     -0.38234374
+H      2.99731209      2.69985262     -2.08499822
+H      2.05832664      1.42914255     -1.30286836
+H      2.55406437      2.43929184      0.93987751
+H      3.50345429      3.71785862      0.16843970
+H      4.22770875      0.69897072      0.06377107
+H      5.86816993      3.29299304      0.18884432
+H      6.58913376      0.27400860      0.16657613
+H      7.47589753      1.50025365      1.08075988
+H      7.28605496      1.40456831     -1.99592126
+H      8.70645620      0.94829571     -1.02238509
+H      8.16166176      2.63921225     -1.06735528 
+
+21
+-2072.489621430645 13.817737 15.29285 -8.6209 -6.5916 -8.64 0.9058 0.0172 1.529 8.06851 -0.83407 6.0292036066 6.0292036066 0.392586271
+C      0.83221037      1.01667891     -1.32802208
+C      2.36097452      1.04288754     -1.29696123
+C      2.92607236      1.66852614     -0.00754079
+C      4.42681655      1.66701151      0.03053184
+C      5.26683037      2.72059987      0.03773204
+C      4.83332153      4.16338561      0.03227079
+C      6.76042425      2.51687937      0.05533836
+H      0.45644713      0.56191328     -2.25598406
+H      0.41533310      2.03390000     -1.26340114
+H      0.42489779      0.43878528     -0.48385949
+H      2.74532234      1.60671288     -2.16308683
+H      2.75420015      0.01719488     -1.40254501
+H      2.54167704      1.09212982      0.85487006
+H      2.52405829      2.68766978      0.10587058
+H      4.88397806      0.66890614      0.03005261
+H      3.74515470      4.29007039     -0.00826806
+H      5.26970921      4.69433807     -0.83020411
+H      5.20227908      4.68251511      0.93289721
+H      7.02730268      1.45159888      0.05315133
+H      7.21417003      2.98394059      0.94591174
+H      7.23467045      2.99285596     -0.81964375 
+
+19
+-1930.3459469329466 14.881445 15.45268 -8.3556 -6.4292 -8.279 0.798 -0.7649 0.361 7.795 0.21037 5.0584552196 5.0584552196 0.836937513
+C      0.84363162     -0.12727194     -0.04849799
+C      2.36666226     -0.09532034      0.08641373
+C      2.95270905      1.31919302     -0.08154931
+C      4.44655668      1.35156583      0.00859593
+C      5.15827521      2.03434661      0.92933791
+C      6.60697386      2.03582594      1.01048614
+C      7.31971189      2.70272862      1.93918281
+H      0.45189176     -1.14642483      0.08004010
+H      0.52301871      0.23229340     -1.03850203
+H      0.36319648      0.51241161      0.70780264
+H      2.82118246     -0.76546394     -0.66311363
+H      2.66642564     -0.48945439      1.07132940
+H      2.51789823      1.99352950      0.67543374
+H      2.63689075      1.70921036     -1.06774298
+H      4.99142775      0.75059299     -0.73143481
+H      4.62381725      2.63427552      1.67692521
+H      7.13745249      1.44469512      0.25490236
+H      6.82847902      3.30173380      2.70987135
+H      8.40898890      2.66632312      1.95594942 
+
+17
+-1771.9602664613867 14.052877 15.06332 -8.7743 -6.7616 -8.522 0.7384 -0.8544 0.576 8.10386 0.00272000000001 4.0913768182 5.9252041498 0.458229563
+C      0.92941070     -0.20844285      0.10001225
+C      2.45593172     -0.12555539      0.06184913
+C      2.96982459      1.32180250     -0.06051499
+C      4.46208063      1.41866284     -0.04369877
+C      5.21008272      1.93213360     -1.04366142
+C      6.62480571      2.01563668     -1.02929184
+C      7.83933468      2.10580356     -1.05369324
+H      0.58880874     -1.25028755      0.18265164
+H      0.48388167      0.21683854     -0.81223186
+H      0.52114749      0.34637251      0.95866503
+H      2.84469335     -0.71423794     -0.78493906
+H      2.87716891     -0.58261464      0.97308129
+H      2.56138982      1.90612068      0.78527843
+H      2.57334339      1.78179400     -0.98106334
+H      4.97429114      1.03062452      0.84377121
+H      4.71053836      2.32100608     -1.93878421
+H      8.90734637      2.17783284     -1.06628024 
+
+21
+-2069.216497688518 13.318412 14.51756 -9.1224 -7.0004 -9.094 0.908 0.0088 1.474 8.43993 -0.81779 6.3702270996 6.3702270996 0.408006043
+C      3.39323368      2.45077742     -2.15697156
+C      3.48089123      2.67099658     -0.64613221
+C      4.25570993      1.56320477      0.09702464
+C      5.70559653      1.41876862     -0.31393129
+C      6.17048427      0.27287111     -0.83725364
+C      6.61748588      2.61074569     -0.11390807
+C      6.77479903      3.04667807      1.35147048
+H      2.82293045      3.25515482     -2.64347772
+H      2.89395576      1.49721063     -2.38941923
+H      4.39158281      2.41648865     -2.61768318
+H      2.46546133      2.72203561     -0.22064760
+H      3.94299322      3.65069521     -0.43919029
+H      3.74503120      0.59886709     -0.05869491
+H      4.20356917      1.77034303      1.18016141
+H      5.51916045     -0.59108470     -0.98739451
+H      7.21691793      0.16291054     -1.13123461
+H      6.23452934      3.46627697     -0.69802824
+H      7.60720002      2.37151562     -0.53263607
+H      5.81958788      3.37046996      1.78931536
+H      7.47552168      3.89021938      1.42951103
+H      7.16522821      2.22281495      1.96654022 
+
+19
+-1928.3041726365498 13.836124 14.34833 -8.5533 -6.635 -8.531 0.6303 -0.9494 0.305 7.95191 0.21863 5.2209388726 5.2209388726 0.719618744
+C      1.01818869     -0.04906587      0.75793483
+C      2.45986891     -0.45549693      0.44978657
+C      3.32471674      0.73374618     -0.01151997
+C      4.74946206      0.34783886     -0.34340246
+C      5.75086683      0.56360036      0.53780170
+C      5.05039411     -0.28929849     -1.62877260
+C      4.18895644     -0.50703765     -2.63972208
+H      0.42475728     -0.90909009      1.10009381
+H      0.52028803      0.36666188     -0.13194110
+H      0.97903391      0.71834494      1.54665187
+H      2.47173258     -1.24162116     -0.32168544
+H      2.92453760     -0.89944275      1.34543340
+H      3.33734285      1.49528537      0.78455920
+H      2.85108462      1.20947345     -0.88749477
+H      5.57023970      1.04990517      1.49807296
+H      6.77657055      0.26046163      0.31752019
+H      6.09307201     -0.59928534     -1.75919507
+H      3.13713740     -0.22097325     -2.58454902
+H      4.52078966     -0.97847629     -3.56498201 
+
+17
+-1770.9407758396985 13.296318 14.19934 -8.9381 -6.9371 -8.752 0.6807 -0.9333 0.586 8.23087 -0.03546 4.0579501926 6.042519703 0.443784049
+C      0.99485322     -0.02938621     -0.08464516
+C      2.51861531     -0.10157737      0.02083392
+C      3.17610936      1.28761823     -0.00859115
+C      4.69038478      1.24215338      0.06171680
+C      5.38506796      1.73041518      1.11099060
+C      5.36268247      0.64132004     -1.04533440
+C      5.88467277      0.12663791     -2.01745048
+H      0.54600189     -1.03246302     -0.05616181
+H      0.68296210      0.44949760     -1.02555681
+H      0.56217012      0.55299702      0.74349685
+H      2.92390367     -0.70817367     -0.80484372
+H      2.80859316     -0.61316495      0.95347831
+H      2.80390247      1.89554748      0.83146015
+H      2.87936673      1.80413349     -0.93794279
+H      4.86686580      2.19232552      1.95268209
+H      6.47312566      1.68088059      1.14543844
+H      6.36471254     -0.32230123     -2.86271083 
+
+21
+-2071.518279106589 13.488529 14.71646 -8.621 -6.5875 -8.645 0.8934 -0.0181 1.526 8.06706 -0.83286 6.019954251 6.019954251 0.382775933
+C      3.17365887      1.01676405     -2.46212160
+C      3.22273213      0.15232597     -1.20124826
+C      3.79651154      0.88819058      0.02828843
+C      5.23504924      1.34107131     -0.11137514
+C      6.25059755      0.23577382     -0.24694402
+C      5.54035182      2.65390077     -0.09932605
+C      6.88832393      3.30073532     -0.21531788
+H      2.76213597      0.45758892     -3.31446727
+H      4.17562641      1.37378354     -2.74175595
+H      2.54188017      1.90539764     -2.30729885
+H      3.81117713     -0.75954663     -1.39676442
+H      2.20693463     -0.19494540     -0.95076728
+H      3.71895901      0.21331840      0.90053539
+H      3.16203104      1.76258249      0.24908836
+H      6.09351508     -0.33985290     -1.17388280
+H      6.15240551     -0.48218971      0.58429300
+H      7.28412908      0.60091028     -0.25694684
+H      4.70284124      3.35353160      0.01109895
+H      7.71050318      2.57876837     -0.29914531
+H      7.09184424      3.94168045      0.65828855
+H      6.93317223      3.95972111     -1.09819101 
+
+21
+-2067.754084946457 13.512264 14.92327 -9.5118 -7.3268 -9.411 0.9848 0.0983 1.399 8.8404 -0.80736 6.6203316588 6.6203316588 0.442569257
+C      1.19371586      2.20085189     -1.55343460
+C      2.41756383      2.50529790     -0.68716399
+C      3.61978334      1.61885600     -1.02150216
+C      4.86738169      1.86269315     -0.14470202
+C      5.95707192      0.82199491     -0.45831006
+C      5.41233068      3.25407665     -0.32934785
+C      5.54797651      4.17704879      0.62954323
+H      0.34798497      2.85499389     -1.29657961
+H      0.86098876      1.15903974     -1.42484923
+H      1.41566581      2.34712441     -2.62194947
+H      2.15758026      2.37362146      0.37773200
+H      2.70056595      3.56448144     -0.80062238
+H      3.89756866      1.75896419     -2.08270742
+H      3.32871873      0.55828561     -0.92064930
+H      4.57005029      1.74916606      0.91397144
+H      6.29749183      0.91504502     -1.50178053
+H      5.57272605     -0.19979401     -0.32067018
+H      6.83178324      0.95387713      0.19378060
+H      5.73083757      3.49881170     -1.35175156
+H      5.24400197      3.97598916      1.66038226
+H      5.96613209      5.16313494      0.42042084 
+
+19
+-1912.0850784123406 12.980467 14.55647 -9.8787 -7.6019 -9.713 0.9439 -0.0095 2.375 9.2609 -1.93572 4.329219162 10.6525423578 0.402792189
+C      0.99322101     -0.13364874     -0.00392346
+C      2.52279910     -0.11411278      0.01028640
+C      3.09690731      1.30358494     -0.01464939
+C      4.64209118      1.36868224     -0.00154695
+C      5.14668626      2.81475081     -0.17584186
+C      5.19724386      0.76885664      1.21293265
+C      5.65266187      0.29018022      2.23244624
+H      0.60554616     -1.16231631      0.01126340
+H      0.59353418      0.36005462     -0.90337168
+H      0.58124016      0.39052334      0.87213455
+H      2.90827979     -0.67647927     -0.85809935
+H      2.89506913     -0.63761804      0.90568501
+H      2.71439965      1.87638809      0.84791174
+H      2.74785895      1.82777026     -0.92125550
+H      5.00889584      0.77310402     -0.85900600
+H      4.79599007      3.44771811      0.65175307
+H      4.76976371      3.23575523     -1.11897644
+H      6.24385578      2.85087162     -0.19109827
+H      6.05341599     -0.13272501      3.13079584 
+
+19
+-1918.0644186567572 13.548583 15.98781 -9.2577 -7.0094 -9.12 0.8895 -0.0168 2.529 8.71881 -2.03935 4.1283494434 11.7116431684 0.801848973
+C      0.89563640     -0.01401857      0.01943136
+C      2.42393597     -0.01433910      0.01941233
+C      3.01175365      1.41136950      0.00010783
+C      4.47075847      1.44024911     -0.00036148
+C      5.68777882      1.42933754     -0.00029502
+C      7.14790774      1.45618644     -0.00027547
+C      7.72968677      2.88059787     -0.00127434
+H      0.49853542     -1.03884793      0.03320874
+H      0.49495952      0.48639949     -0.87560270
+H      0.49499308      0.51025119      0.90072329
+H      2.80447464     -0.56546770     -0.85483545
+H      2.80452112     -0.54164807      0.90820972
+H      2.63367139      1.97116306      0.87399939
+H      2.63350122      1.94736387     -0.88850373
+H      7.52103039      0.90522632     -0.88037681
+H      7.52091613      0.90651167      0.88067837
+H      7.39995344      3.43568747     -0.88992078
+H      8.82831249      2.84689189     -0.00120180
+H      7.39987336      3.43697597      0.88653656 
+
+17
+-1775.1067532164186 14.246906 15.73064 -8.7522 -6.6528 -8.49 0.7982 -0.7874 0.616 8.0464 -0.06328 3.8095194444 11.5616573042 0.77860736
+C      0.89980024     -0.02571393      0.01782903
+C      2.42792902     -0.01970607      0.01797046
+C      3.00439574      1.41072885      0.00037006
+C      4.45943663      1.45962918      0.00014568
+C      5.67957222      1.49994845      0.00014971
+C      7.09747611      1.49589876      0.00002208
+C      7.87567653      2.59650944     -0.00048920
+H      0.50664795     -1.05182547      0.03045562
+H      0.49752129      0.47422449     -0.87671611
+H      0.49729999      0.49614296      0.89966874
+H      2.81174893     -0.56696113     -0.85712499
+H      2.81149390     -0.54516227      0.90643341
+H      2.62310986      1.96965309      0.87403675
+H      2.62363694      1.94770446     -0.88720262
+H      7.57404797      0.50902909     -0.00015937
+H      7.44338779      3.59783799     -0.00032417
+H      8.96200889      2.50968210     -0.00049507 
+
+15
+-1620.4677510136937 14.207162 15.41718 -9.138 -7.05 -8.676 0.9972 -0.6369 1.029 8.30226 -0.61348 3.2096503792 7.884579705 2.011140271
+C      0.94816052     -0.00041314      0.01278197
+C      2.47593919     -0.01098881      0.01232943
+C      3.06602882      1.41651666      0.00027030
+C      4.51732379      1.44444271     -0.00008254
+C      5.74101557      1.44126691     -0.00010204
+C      7.10036106      1.44001530     -0.00012421
+C      8.32162117      1.43709043     -0.00011502
+H      0.54725507     -1.02345325      0.02122054
+H      0.55031719      0.50619716     -0.87974074
+H      0.55097022      0.52058475      0.89727867
+H      2.85476402     -0.55694598     -0.86528825
+H      2.85538231     -0.54231796      0.89861338
+H      2.69428377      1.97528350      0.87774604
+H      2.69411085      1.96045195     -0.88640101
+H      9.39161646      1.43435978     -0.00009652 
+
+21
+-2070.777934443187 13.860223 15.72904 -9.064 -6.8665 -8.988 1.0007 0.1275 1.472 8.46401 -0.83584 6.2946080382 6.2946080382 0.419886041
+C      0.66416541      0.84852855     -0.00334069
+C      2.17112160      0.60593505     -0.10692494
+C      2.98911388      1.90041884     -0.11778661
+C      4.50562550      1.66351258     -0.22761453
+C      5.30231178      2.93551487     -0.23723966
+C      6.21801683      3.28301295      0.67794405
+C      7.00133823      4.56059068      0.67974365
+H      0.10252970     -0.09668482      0.01014352
+H      0.29735205      1.44251820     -0.85472874
+H      0.41241096      1.39938050      0.91606928
+H      2.39112359      0.02805454     -1.02153168
+H      2.50209735     -0.02398945      0.73713894
+H      2.78168176      2.47643626      0.80067441
+H      2.65767679      2.53628523     -0.95832146
+H      4.70392214      1.09682929     -1.15645317
+H      4.84159763      1.02339438      0.60587196
+H      5.09144015      3.63359761     -1.05897948
+H      6.42382494      2.58406139      1.49905757
+H      6.72360352      5.20575137     -0.16570254
+H      8.08468871      4.36644895      0.62021651
+H      6.83789748      5.12751300      1.61067361 
+
+21
+-2070.4764385763806 13.5901 15.11635 -9.1673 -6.9812 -9.118 0.9361 0.0018 1.464 8.48766 -0.82398 6.3921726216 6.3921726216 0.429858813
+C      1.12614567      0.24631950     -0.71731635
+C      2.60388086      0.52184416     -0.43275030
+C      2.93102677      2.01611402     -0.35770336
+C      4.42216842      2.29234774     -0.09307267
+C      4.77183735      3.75789734      0.03008088
+C      4.58878493      4.60570030     -1.20243246
+C      5.22409933      4.27659810      1.18273496
+H      0.91741760     -0.83223829     -0.76437424
+H      0.81716481      0.68787083     -1.67761170
+H      0.48290248      0.67684321      0.06574077
+H      3.22536192      0.05274551     -1.21570760
+H      2.89512599      0.03808016      0.51599128
+H      2.33149822      2.48579482      0.44188228
+H      2.62103397      2.49879742     -1.30052745
+H      5.01164130      1.85078285     -0.91886017
+H      4.72843013      1.76852316      0.82709694
+H      5.12999700      4.17320955     -2.06024044
+H      4.95027074      5.63029125     -1.04537127
+H      3.52877094      4.66136858     -1.49813356
+H      5.35665650      3.65621712      2.07183651
+H      5.47746505      5.33521268      1.27230794 
+
+19
+-1918.4460409597218 13.463927 15.91256 -9.2943 -7.0382 -9.177 0.8966 0.0273 2.475 8.77636 -2.05638 4.1473069028 10.0965643366 0.832897612
+C      0.92098722     -0.12867356     -0.01105411
+C      2.44845309     -0.04988532      0.01453536
+C      2.97288033      1.38764728     -0.00431072
+C      4.51239298      1.46099467      0.02142623
+C      5.03182819      2.82448754      0.00717192
+C      5.44090313      3.96996983     -0.00475198
+C      5.93383419      5.34018874     -0.01806531
+H      0.57135264     -1.17094411      0.00361291
+H      0.51346702      0.34781412     -0.91586420
+H      0.48186250      0.38340952      0.85884749
+H      2.86103759     -0.59966099     -0.84942619
+H      2.82966131     -0.56486392      0.91363584
+H      2.57450992      1.94349468      0.86059642
+H      2.60537937      1.90934344     -0.90348613
+H      4.91750956      0.90578183     -0.84317509
+H      4.88628616      0.93651867      0.91870066
+H      5.10291003      6.06216843     -0.01858619
+H      6.54599852      5.53643219     -0.91158518
+H      6.55625625      5.54965695      0.86532827 
+
+21
+-2067.311014658699 13.476961 15.30503 -9.4979 -7.2883 -9.523 0.9656 0.0682 1.381 8.98799 -0.80783 6.6816923302 6.6816923302 0.429654981
+C      0.95802804      0.45052507     -1.26566791
+C      2.38946758      0.31045863     -0.74408053
+C      3.04874214      1.65500706     -0.42303221
+C      4.49004094      1.52797919      0.07968375
+C      5.12811489      2.88002502      0.39925543
+C      6.55027206      2.85602349      0.88628140
+C      7.32182299      1.77623659      1.06230121
+H      0.51071542     -0.52908478     -1.48774189
+H      0.92847539      1.04778003     -2.19030557
+H      0.31245348      0.95231693     -0.52816258
+H      3.00310427     -0.22505412     -1.48939637
+H      2.39310042     -0.32064452      0.16174247
+H      2.44145768      2.18555375      0.33304627
+H      3.03141272      2.29200675     -1.32630027
+H      5.09592653      1.00528699     -0.68104403
+H      4.50870963      0.88988291      0.98056555
+H      4.51331908      3.40750521      1.15317390
+H      5.08128228      3.52900086     -0.49601490
+H      6.97603224      3.84073765      1.11284773
+H      6.96559004      0.76468321      0.85726904
+H      8.34741218      1.87296408      1.42133951 
+
+19
+-1912.0249942080043 13.187649 15.21025 -9.9766 -7.5979 -9.808 0.9206 0.0089 2.341 9.43502 -1.96958 4.3667745214 10.6106350898 0.960712792
+C      1.04234857     -0.45344977      0.49982102
+C      2.54798872     -0.30942669      0.27040456
+C      2.98105502      1.13521472      0.00321809
+C      4.48616991      1.28458407     -0.22602256
+C      4.90106289      2.74558173     -0.49251793
+C      6.33268462      2.91152884     -0.71053773
+C      7.52865587      3.02362528     -0.88867650
+H      0.76222877     -1.49958530      0.68910089
+H      0.47145495     -0.10829775     -0.37595976
+H      0.71277403      0.14201020      1.36521307
+H      2.85458296     -0.94218974     -0.58029849
+H      3.09448710     -0.69464525      1.14848381
+H      2.67377825      1.76985394      0.85426012
+H      2.43504752      1.52084357     -0.87690647
+H      4.80091408      0.66354389     -1.08044126
+H      5.04019906      0.91101392      0.65047458
+H      4.58989839      3.37744436      0.35748376
+H      4.35528447      3.12813160     -1.37248538
+H      8.58225482      3.13043839     -1.04628382 
+
+16
+-1677.9270412134697 10.511579 11.41868 -8.9506 -7.0052 -10.361 0.9681 0.0895 3.27 10.70442 -2.93926 8.6096870288 12.044681963 0.219915679
+C      0.56912415      1.15829545      0.63222199
+C     -0.89822440      0.76473407      0.43252867
+C     -0.91593529     -0.01259762     -0.87130685
+C      0.54236165     -0.01864398     -1.34173162
+N      1.24931737      0.00006234     -0.02446181
+C      0.56997835     -1.13983991      0.66435400
+C     -0.89765876     -0.75312279      0.45375296
+H      0.84749493      2.09377104      0.12511237
+H      0.86899912      1.21981018      1.68866771
+H     -1.74308170      1.35844079      0.77601717
+H     -1.77452017     -0.02226398     -1.53988283
+H      0.82026425     -0.92216443     -1.90405196
+H      0.81960714      0.86898898     -1.92912871
+H      0.86988906     -1.17162485      1.72210217
+H      0.84902456     -2.08892321      0.18357262
+H     -1.74206025     -1.33764209      0.81372412 
+
+16
+-1636.355409023039 10.737731 11.63698 -8.5474 -6.5686 -9.948 0.9836 0.1294 2.95 9.55536 -2.61335 7.8867742572 11.2291888452 0.168979155
+C      1.75132252      0.00537209     -0.55261736
+C      0.85127781      0.80700350      0.36511075
+C      0.79509128     -0.71789783      0.35848985
+N     -0.61286401     -1.03296269     -0.05473455
+C     -0.86479028      0.00524360     -1.14194426
+C     -0.61139825      1.06463228     -0.05409140
+C     -1.31646672     -0.00165142      0.84755022
+H      1.62938418      0.01832088     -1.63572138
+H      2.79591450     -0.05257764     -0.24050111
+H      1.27401794      1.38146750      1.18987206
+H      1.17068680     -1.34045275      1.17020991
+H     -1.91810076     -0.05561801     -1.44366293
+H     -0.23013507     -0.05775660     -2.03374175
+H     -0.94443477      2.10903761     -0.14347516
+H     -1.03372352     -0.05723339      1.90873883
+H     -2.40734164     -0.06709713      0.72268829 
+
+16
+-1649.1404693324114 10.641269 11.52272 -9.2036 -7.121 -10.308 0.9477 0.0923 2.809 9.89644 -2.86668 8.008751684 10.2763688338 0.172202766
+C     -0.90550059      0.00007257     -1.19167800
+C     -0.60278291      1.02694877     -0.07109791
+C     -1.30878397      0.00000758      0.88504089
+C     -0.60289953     -1.02694434     -0.07117483
+C      0.87567717     -0.74752468      0.30391680
+N      1.76894960     -0.00015600     -0.59658833
+C      0.87577262      0.74730673      0.30395467
+H     -1.96985715      0.00007932     -1.45778292
+H     -0.30872090      0.00008127     -2.11655852
+H     -0.91755463      2.07551668     -0.14346140
+H     -0.99977771     -0.00005155      1.94140746
+H     -2.40625987      0.00007593      0.80045423
+H     -0.91781703     -2.07546124     -0.14363645
+H      1.35978296     -1.35981768      1.06706861
+H      1.43590403     -0.00011962     -1.56556773
+H      1.35997789      1.35949626      1.06712341 
+
+15
+-1534.5434262262247 10.470849 10.93946 -8.0612 -6.0869 -8.789 1.2522 -0.1467 0.864 8.27019 -0.25583 4.9010673912 8.9156844768 0.152326823
+C     -1.04534658      0.02095499     -1.02308958
+C     -0.61765859      1.03628730      0.07930548
+C     -1.02918424     -0.05410741      1.11008584
+C     -0.59888527     -1.07030668      0.00523129
+C      0.91060538     -1.08139336     -0.03547446
+N      1.59511651      0.01988006     -0.02908217
+N      0.84313491      1.16353663      0.15208082
+H     -2.13524618      0.02647292     -1.14943310
+H     -0.53816493      0.05510917     -1.99696770
+H     -1.07008630      2.03605865      0.12282967
+H     -0.49457127     -0.07144392      2.06867254
+H     -2.11525207     -0.06032988      1.26659401
+H     -1.04863668     -2.07039919     -0.02691627
+H      1.47966338     -2.01081372     -0.11036768
+H      1.25830193      1.94761443     -0.34693870 
+
+16
+-1645.0724205960391 10.705164 11.63263 -8.8159 -6.7818 -10.556 0.9745 0.1371 2.889 9.90965 -2.58406 8.446360271 11.8121214228 0.15320895
+C      1.74303024      0.07299687     -0.45415071
+C      0.80281844      0.89074775      0.35997836
+C     -0.64977076      1.08711705     -0.09820460
+C     -1.34288721      0.07973753      0.89209615
+C     -0.52022216     -0.93811620      0.04429441
+C     -0.85176565     -0.02161568     -1.16378951
+N      0.86910375     -0.60196022      0.53363980
+H      1.58054499     -0.06176302     -1.52417202
+H      2.79438699      0.06076679     -0.15779858
+H      1.17429511      1.49884010      1.18933404
+H     -1.00465248      2.11498981     -0.24284658
+H     -1.08118615      0.14889377      1.95725229
+H     -2.42883705      0.00189876      0.74730548
+H     -0.70995898     -2.01802479      0.04872893
+H     -1.90773904     -0.11432868     -1.44602341
+H     -0.23357004     -0.03826984     -2.07024406 
+
+15
+-1553.447375190964 10.420159 10.94836 -8.3741 -6.4186 -9.245 0.7746 -0.1558 0.959 8.55168 -0.35029 4.8006635284 7.5388199468 0.171605883
+C     -1.02156730      0.03484922     -1.02823608
+C     -0.62617654      1.05592559      0.07975119
+C     -1.00435315     -0.05322880      1.10246862
+C     -0.55480287     -1.05208333     -0.00834573
+N      0.91396060     -1.16367986     -0.02729277
+C      1.50650060     -0.01813789     -0.00892692
+N      0.83634231      1.18700797      0.12426840
+H     -2.10920378      0.00904934     -1.17297485
+H     -0.49796133      0.08511483     -1.99307629
+H     -1.09803831      2.04511216      0.13298894
+H     -0.45916451     -0.07577179      2.05535332
+H     -2.08871760     -0.08440856      1.26892527
+H     -1.00735409     -2.05075855     -0.04710839
+H      2.59995635      0.04283348     -0.05646768
+H      1.26182961      2.01680618     -0.28215702 
+
+16
+-1592.477634302302 11.169424 12.02119 -8.1838 -6.1383 -8.237 0.9912 0.0359 2.036 7.84266 -1.71405 5.2956652348 11.3382593294 0.10799701
+C     -1.67366117      0.99343515      0.33199264
+C     -1.34320662     -0.37134198     -0.24184601
+C     -0.38335126     -1.36996497      0.51900432
+C      0.93535287     -0.85983248     -0.11379092
+N      2.14362087      0.00385454     -0.01771598
+C      0.77925838      0.60511935      0.13970399
+C     -0.51875146      0.89343078     -0.63522234
+H     -2.59605393      1.46208158     -0.01717166
+H     -1.44871788      1.19257806      1.38343235
+H     -2.06464498     -0.80113333     -0.94050819
+H     -0.43723209     -1.25456107      1.61154368
+H     -0.62094316     -2.41432767      0.26561333
+H      0.85537642     -1.06425150     -1.18832734
+H      2.56443312      0.06839600      0.91959885
+H      0.59729729      0.81400610      1.20202284
+H     -0.56920641      1.34532147     -1.62652957 
+
+16
+-1654.7992030891717 10.667485 11.62345 -8.8054 -6.7602 -10.262 0.9849 0.1099 2.999 9.61678 -2.7028 8.2864927226 11.4322035216 0.190033619
+C     -1.29234438      0.95618242      0.54027512
+C     -1.42639359     -0.39539248     -0.12394404
+C     -0.38321510     -1.47264575      0.18234734
+C      0.93376635     -0.94818507     -0.39365405
+C      1.56382490      0.27886260      0.16653764
+N      0.71782139      0.37789355     -1.04002808
+C     -0.69510143      0.72820625     -0.83137020
+H     -2.18509306      1.58254846      0.57728176
+H     -0.64960159      1.06030388      1.41476381
+H     -2.41818849     -0.71729701     -0.44641138
+H     -0.31086933     -1.70512986      1.25686484
+H     -0.65955278     -2.40476444     -0.33191623
+H      1.55773807     -1.65201362     -0.95272686
+H      1.19585559      0.66851924      1.11780925
+H      2.62389551      0.47318262     -0.01626406
+H     -1.13404205      1.25177920     -1.68156485 
+
+16
+-1683.6243517315788 10.565603 11.43516 -8.4921 -6.4228 -9.867 0.9341 0.0345 3.198 9.25702 -2.89599 8.058594056 11.6168806686 0.131198521
+C      0.56554317      1.22894461      0.66744596
+C     -0.87507631      0.79241085      0.43787600
+C     -0.88105972     -0.00239850     -0.87039380
+C      0.55134838     -0.01319409     -1.39038726
+C      1.22597865     -0.00678942     -0.00179511
+N      0.55980875     -1.18042568      0.62921161
+C     -0.82762554     -0.73536615      0.45157984
+H      0.82245188      2.17144191      0.16025863
+H      0.82459447      1.31604333      1.73491654
+H     -1.73991063      1.35810001      0.77981329
+H     -1.75508421     -0.04721217     -1.51728490
+H      0.79310124     -0.92420107     -1.95530238
+H      0.80690448      0.87477124     -1.98636954
+H      2.31938141     -0.07084213      0.02389380
+H      0.78583469     -1.19640212      1.63100491
+H     -1.63276069     -1.36836060      0.81922243 
+
+16
+-1683.2168957830636 10.496501 11.37843 -8.9885 -6.9588 -10.682 0.9267 0.0437 3.088 10.07403 -2.81891 8.6134686018 11.3864030932 0.206797221
+C      0.59622311      1.22559873      0.65607845
+C     -0.84158171      0.78464096      0.41016998
+C     -0.85488600      0.01689186     -0.87345743
+C      0.57490916     -0.00411142     -1.40014527
+C      1.26547110      0.00917401     -0.01930109
+C      0.50134117     -1.13431023      0.67242515
+N     -0.90718502     -0.71024241      0.43344163
+H      0.83436692      2.17772699      0.15767617
+H      0.84298146      1.31169561      1.72497707
+H     -1.70697255      1.32040105      0.79916642
+H     -1.73093702     -0.06433344     -1.51626583
+H      0.80467280     -0.90714776     -1.98543870
+H      0.81188211      0.88336765     -2.00670297
+H      2.36014395     -0.03039328     -0.00694761
+H      0.69023342     -1.20007995      1.75415886
+H      0.67428709     -2.12000837      0.21562517 
+
+13
+-1398.6022107219906 11.353583 10.61064 -8.5278 -6.7695 -8.675 -0.2982 -1.9003 -0.559 8.16223 1.40802 3.0639172348 5.973087543 0.27883968
+C     -1.37112212      0.62752262      0.15066740
+C     -1.43160566     -0.83660497     -0.00227994
+C     -0.32991945     -1.60901389      0.26723408
+C      0.94288941     -1.06234762      0.58395858
+C      1.36074252      0.21480584      0.23857156
+N      0.76316900      0.96271092     -0.75151112
+N     -0.45959247      1.08528343     -0.98136983
+H     -2.33816871      1.12340415      0.01692373
+H     -0.89145803      0.92764308      1.09978950
+H     -2.34514933     -1.29996296     -0.38040964
+H     -0.42934618     -2.69703458      0.24077798
+H      1.69895478     -1.72679904      1.01101781
+H      2.37689624      0.53872299      0.47063991 
+
+16
+-1660.411194441611 10.747699 11.77458 -8.8192 -6.7861 -10.42 0.9916 0.1328 3.106 9.8198 -2.71803 8.4330193774 12.6083347176 0.109383601
+C     -1.79445991      0.84636718      0.34198008
+C     -1.15017058     -0.33465231     -0.35239972
+C     -0.31986940     -1.25975439      0.53445271
+N      0.82951791     -0.47706698      1.07329993
+C      1.78347111     -0.07525375      0.01754681
+C      0.75418127      0.89118025      0.48684048
+C     -0.47253683      1.02078800     -0.36827124
+H     -2.67615228      1.28934527     -0.12137039
+H     -1.79485064      0.85330383      1.43471944
+H     -1.62042705     -0.73393006     -1.25145103
+H     -0.90221003     -1.63500836      1.39168263
+H      0.05274235     -2.13386345     -0.02304380
+H      2.81872898      0.01787731      0.35284713
+H      1.64874828     -0.49582769     -0.98491132
+H      1.03024742      1.71086571      1.15724390
+H     -0.43231060      1.62227944     -1.27870562 
+
+13
+-1396.3971485153552 10.205098 10.36537 -8.9304 -6.9539 -9.266 0.2401 -1.4158 0.117 8.93477 0.50457 4.218561657 9.2232689456 0.199567183
+C     -1.47203193      0.76506608      0.54416950
+C     -1.15902897     -0.45514541     -0.28135127
+C     -0.18104990     -1.41573230      0.23976082
+N      1.03477569     -1.17244719      0.61691542
+N      1.61614673      0.09105656      0.31436471
+C      0.91687683      0.97056069     -0.33150062
+C     -0.52185395      0.92980380     -0.61271588
+H     -2.46580269      1.19186130      0.41661494
+H     -1.05811962      0.81558803      1.55121880
+H     -1.95162385     -0.84074777     -0.92500209
+H     -0.49024072     -2.46501081      0.32330133
+H      1.48619755      1.83074016     -0.70506426
+H     -0.88212518      1.48402687     -1.48118141 
+
+16
+-1647.3230049397248 10.702855 11.62968 -8.8605 -6.8294 -9.814 0.9765 0.111 2.938 9.34168 -2.86127 7.730961051 10.082169562 0.163541131
+C      1.78745602     -0.00017359     -0.51928647
+C      0.82832402      0.76229821      0.36624096
+C      0.82823933     -0.76236905      0.36638568
+C     -0.63560834     -0.99664284     -0.08443451
+C     -0.85850189     -0.00009466     -1.24739940
+C     -0.63549665      0.99664990     -0.08462400
+N     -1.43080706      0.00012755      0.74812401
+H      1.66961175     -0.00026837     -1.60307035
+H      2.83126784     -0.00019938     -0.19671561
+H      1.21516655      1.34252901      1.20553634
+H      1.21501796     -1.34248221      1.20579185
+H     -1.00046539     -2.03147099     -0.11338727
+H     -1.90738212     -0.00006561     -1.56017030
+H     -0.18827086     -0.00021511     -2.11313926
+H     -1.00023651      2.03151374     -0.11377576
+H     -1.10525465      0.00020340      1.72695409 
+
+15
+-1515.5376896382402 10.109355 10.86085 -8.7016 -6.6325 -9.908 1.0008 0.109 2.821 9.52029 -2.68115 7.5430726666 10.482644342 0.142322249
+C     -0.87643765      0.00004221     -1.25073528
+C     -0.61663244      0.99650111     -0.09806055
+N     -1.38004337     -0.00008671      0.76520907
+C     -0.61664161     -0.99656829     -0.09819141
+C      0.86539773     -0.74690858      0.30595574
+N      1.78860932     -0.00000752     -0.56735318
+C      0.86540376      0.74677526      0.30605663
+H     -1.93304551      0.00006598     -1.53537330
+H     -0.23865920      0.00009613     -2.14397539
+H     -0.97747432      2.03258282     -0.11237149
+H     -1.01943067     -0.00015049      1.73219793
+H     -0.97749242     -2.03264573     -0.11263422
+H      1.32576842     -1.36494369      1.07981058
+H      1.47796793      0.00006416     -1.54349637
+H      1.32577002      1.36470334      1.08000125 
+
+15
+-1529.2393395337012 10.289818 11.09475 -8.8396 -6.7436 -10.481 0.8538 -0.0599 2.986 9.89405 -2.6272 8.3424476044 11.708989868 0.161425468
+C     -1.63576096      0.67806838      0.59810546
+C     -1.08165847     -0.31266094     -0.36554607
+C      0.01233821     -1.18107462      0.17901745
+N      1.22854407     -1.15657450     -0.67403887
+C      1.14484687     -0.28355273      0.53114773
+C      0.75596517      1.14382423      0.17237075
+N     -0.62490914      1.10360056     -0.39157607
+H     -2.63195070      1.09557528      0.43959426
+H     -1.32874038      0.58143874      1.64529702
+H     -1.65799801     -0.64944192     -1.23105224
+H     -0.22355089     -2.07514179      0.76163148
+H      1.80028224     -1.97745216     -0.44619520
+H      1.79303677     -0.49005612      1.38487397
+H      0.78601770      1.81085366      1.04782593
+H      1.42527751      1.54987394     -0.60115560 
+
+15
+-1530.5293947931805 10.086501 10.81442 -8.9361 -6.8166 -10.093 0.9903 0.0355 2.864 9.87665 -2.52953 7.8964451652 11.8723910174 0.284845824
+C     -1.32067606      0.66348050     -0.00990118
+C     -1.06545306     -0.83928392     -0.13112185
+N     -0.24789418     -1.54835360      0.87330232
+C      0.40239022     -1.04961709     -0.35175033
+C      1.08227230      0.31471524     -0.36272840
+N      1.09676914      1.14992646      0.85159324
+C      0.03194557      1.36282838     -0.14888064
+H     -1.97148405      0.98110572     -0.84038526
+H     -1.84696845      0.93325903      0.92121537
+H     -1.83313572     -1.46127749     -0.60005929
+H     -0.04393677     -0.95148856      1.68383651
+H      0.81126932     -1.82308277     -1.00518951
+H      1.94180138      0.44550209     -1.02342936
+H      0.74814939      0.63813989      1.67095082
+H      0.06332098      2.34412611     -0.63074244 
+
+16
+-1592.3894572339589 11.228501 12.14839 -7.7764 -5.7813 -8.049 0.9731 0.1038 2.172 7.66203 -1.75133 5.2388052552 11.5924926224 0.205346928
+C     -1.68700643      0.97237646      0.34846718
+C     -1.32873429     -0.34098472     -0.31687802
+N     -0.39720899     -1.33997889      0.31046769
+C      0.87358426     -0.76415318     -0.19343939
+C      2.14767630     -0.01136293      0.04760080
+C      0.78813197      0.73654511      0.04839998
+C     -0.55566857      0.97558812     -0.65645874
+H     -2.63962561      1.41639498      0.05069788
+H     -1.43987587      1.12289300      1.40216882
+H     -2.04276866     -0.76849898     -1.02311632
+H     -0.44775189     -1.25304350      1.33077795
+H      0.84294008     -0.94181919     -1.27549920
+H      2.64058138      0.08223882      1.01806800
+H      2.83977571     -0.03435862     -0.79889394
+H      0.61672331      0.89945617      1.12034464
+H     -0.67323270      1.47501737     -1.61871733 
+
+15
+-1535.5356120641682 10.870836 11.46384 -8.0574 -6.0929 -8.92 0.9664 -0.024 0.726 8.47934 -0.09729 5.1369755534 12.3240596168 0.220771066
+C      0.62462511     -0.02979499      0.01775806
+C      2.10886582      0.30779341     -0.02452629
+C      1.09085493      1.39031983     -0.20561380
+C      0.82864157      2.51334398      0.79611617
+C      0.04056376      3.45777732     -0.07961211
+N      0.08538911      3.16410062     -1.33727631
+N      0.91420430      2.05416309     -1.50744037
+H      0.17418167     -0.27695287      0.98123251
+H      0.20638646     -0.57294280     -0.83245347
+H      2.67197349     -0.00340758     -0.90586579
+H      2.67514941      0.28212339      0.90781447
+H      1.77021879      2.98492528      1.13410572
+H      0.28248718      2.18053574      1.69094250
+H     -0.48808172      4.35040287      0.25240827
+H      0.54964012      1.46233270     -2.25610955 
+
+15
+-1552.5184875950047 10.760218 11.46755 -8.3015 -6.2839 -9.145 0.8022 -0.1142 0.908 8.5906 -0.28095 5.1497337128 12.385333498 0.196422205
+C      0.67316683     -0.08608227     -0.02983731
+C      2.13034719      0.35856759     -0.00053063
+C      1.04038164      1.36263670     -0.22440870
+C      0.67656847      2.47490670      0.77763842
+N     -0.02846893      3.51213343     -0.00188456
+C      0.10674560      3.17038298     -1.23515683
+N      0.85784677      2.02880131     -1.51489136
+H      0.19297553     -0.36645349      0.90992169
+H      0.34006433     -0.65961548     -0.89763961
+H      2.75688769      0.08747839     -0.85164335
+H      2.64992417      0.37456265      0.95962525
+H      1.58359496      2.91865116      1.22455912
+H      0.04282769      2.11415125      1.60248389
+H     -0.29416999      3.75592397     -2.06674587
+H      0.56978805      1.45828512     -2.30891016 
+
+18
+-1787.179702131051 11.526549 12.72091 -8.7206 -6.5141 -10.182 0.9358 0.0132 3.075 9.51179 -2.69732 8.3259822636 11.001525752 0.168624368
+C      0.61113968      1.07219720     -0.35984912
+C     -0.51692911      0.22725578      0.18914842
+C      0.82308766     -0.40247351     -0.10537821
+C      1.74125517     -0.89447655      0.99333775
+C      1.63755786     -0.20395363      2.38277380
+N      0.80741182     -1.33712158      2.87169701
+C      1.25899619     -2.18019522      1.73013962
+H      0.55015854      1.41624975     -1.39282343
+H      1.08975421      1.77821637      0.32152599
+H     -1.34977185     -0.01075060     -0.47293391
+H     -0.79447201      0.35397582      1.23635895
+H      0.85797785     -1.02914136     -1.00203377
+H      2.76844893     -0.95628676      0.60438069
+H      1.13818628      0.77797805      2.43719949
+H      2.62876998     -0.11646453      2.86330996
+H      1.06896812     -1.69089022      3.79420603
+H      2.09359808     -2.86536451      1.96589248
+H      0.44988260     -2.75105449      1.24637825 
+
+18
+-1788.0184023007464 11.7014 13.24164 -9.3727 -7.197 -10.944 0.9686 0.0515 3.019 10.29186 -2.66768 8.8676523004 11.729199586 0.282122571
+C      1.11451847      0.07889638      0.10213241
+C      0.71423414      0.57214789      1.47859563
+C     -0.39948368     -0.11117017      2.23549074
+C      1.03032152     -0.24359673      2.71131982
+C      2.52353797      0.47176394     -0.28959103
+C      3.70117272     -0.39249194     -0.00642099
+N      3.14625273     -0.31422276     -1.37832390
+H      1.03077832     -1.01951395      0.05399358
+H      0.41304996      0.47567463     -0.65289472
+H      0.76930414      1.65774634      1.60700715
+H     -0.86168292     -0.98408844      1.77106104
+H     -1.08359781      0.50419885      2.82071496
+H      1.32186707      0.27943786      3.62262219
+H      1.52363113     -1.20615203      2.56607662
+H      2.71722900      1.55148507     -0.28385041
+H      3.55325319     -1.35733150      0.48551873
+H      4.65842797      0.08996820      0.20679744
+H      3.73809607      0.29478835     -1.95171925 
+
+18
+-1781.803493877162 11.909983 13.35048 -8.8925 -6.8465 -10.486 1.0246 0.1526 3.389 9.80881 -3.31292 8.709706535 11.8763585694 0.21491797
+C      0.89915134      0.05888606     -0.00543771
+C      0.71418182      0.24804912      1.48124808
+C      0.08070945      1.51199705      2.00640727
+C     -0.67806461      0.20602121      2.06752741
+N      2.10903060      0.73288569     -0.49307630
+C      3.33710594     -0.06718890     -0.41803426
+C      2.67160748      0.18405040     -1.73034097
+H      0.91668675     -1.02852299     -0.24553891
+H      0.03811611      0.49384970     -0.54184382
+H      1.50823787     -0.18459802      2.09654093
+H     -0.23494544      2.25324652      1.27064517
+H      0.46103454      1.93256847      2.93760682
+H     -0.81408965     -0.27012476      3.03897774
+H     -1.51361833      0.06950712      1.37824976
+H      3.26128044     -1.08376120     -0.01477903
+H      4.24248896      0.47747561     -0.14192201
+H      3.08267779      0.91613300     -2.42912907
+H      2.15668893     -0.66607409     -2.19220111 
+
+18
+-1788.2035354148284 11.866589 13.27332 -8.6796 -6.6334 -9.833 1.0468 0.1687 3.533 9.08411 -3.68189 7.9229409734 12.2428611854 0.442707187
+C      1.53353905      1.55850064     -0.43354530
+C      0.15362257      1.04485396     -0.08544045
+C      1.27389628      0.07320304     -0.35421616
+N      1.81125541     -0.65456121      0.77341360
+C      3.11380407     -1.23353729      0.53205010
+C      4.33290498     -0.43278758      0.92174866
+C      3.92646268     -1.64340075      1.73311398
+H      1.69247416      2.00133223     -1.41703269
+H      2.11745051      1.99490988      0.37618282
+H     -0.64085473      1.13265851     -0.82684242
+H     -0.16424767      1.14597046      0.95272778
+H      1.23640266     -0.45531138     -1.31910413
+H      1.15531071     -1.39124623      1.04815601
+H      3.22355183     -1.86206138     -0.36496556
+H      4.15129861      0.54482087      1.36745583
+H      5.21814463     -0.50216633      0.28906782
+H      4.53021648     -2.54835254      1.66169258
+H      3.47982778     -1.45712488      2.71028754 
+
+18
+-1824.5766522988647 11.254612 12.14709 -8.5074 -6.4451 -10.025 0.8822 -0.0657 3.154 9.31363 -2.85113 8.2082823538 10.4377862072 0.100593969
+C     -1.25380504     -0.78614149     -0.51816827
+C     -1.23438308      0.77766540     -0.52963701
+C      0.01613648      1.10034094      0.31594832
+C     -0.02119246     -0.01592138      1.38226145
+C     -0.00182158     -1.13543953      0.32108899
+C      1.24423899     -0.73573789     -0.50141868
+N      1.20294291      0.76504912     -0.51822547
+H     -1.20334393     -1.21803208     -1.52852432
+H     -2.16510239     -1.17280181     -0.03738384
+H     -2.14087678      1.19731836     -0.06889424
+H     -1.13409254      1.19678346     -1.53949569
+H      0.07010276      2.13796300      0.67092419
+H     -0.93443018     -0.02004598      1.99686010
+H      0.86288471     -0.01344382      2.03814195
+H      0.02633800     -2.16936507      0.69007569
+H      2.17026806     -1.10867987     -0.03353892
+H      1.19962680     -1.13742040     -1.52719306
+H      2.03764925      1.12200903     -0.04828119 
+
+18
+-1805.062188785633 11.411833 12.53878 -8.275 -6.1162 -9.751 0.9634 0.057 3.226 9.04723 -2.89581 7.8308069768 10.880701395 0.145555532
+C     -1.75199740      0.85581238      0.53750075
+C     -1.17226250     -0.24969402     -0.31218516
+C     -0.33256023     -1.35708125      0.30477291
+C      1.09538440     -1.31866008     -0.26934598
+N      1.69020218      0.04229566     -0.25170798
+C      0.86225959      1.07906031      0.39063497
+C     -0.50211766      1.11200247     -0.27195715
+H     -2.67852994      1.32456883      0.20497114
+H     -1.65025709      0.77297429      1.62245225
+H     -1.71248402     -0.50881461     -1.22581792
+H     -0.30053049     -1.24237176      1.39993154
+H     -0.77646157     -2.34520894      0.11083453
+H      1.73204910     -2.02791348      0.28738306
+H      1.06199451     -1.67815668     -1.31436138
+H      2.60693218      0.01491902      0.19306178
+H      0.73180380      0.93310070      1.48439450
+H      1.37796360      2.04345585      0.26441972
+H     -0.59226846      1.74218132     -1.15896157 
+
+18
+-1807.0034694405108 11.660888 12.81854 -8.6359 -6.4785 -10.051 0.9548 0.0522 3.048 9.33119 -2.69284 8.1807946576 10.7943699432 0.217287809
+C      1.88317120      0.12826905     -0.72922836
+C      1.84689080     -0.13348075      0.76244919
+C      0.56131621      0.01926009     -0.01111282
+C     -0.35571961      1.23307770      0.20916096
+C     -1.74230490      0.70359601     -0.18617731
+N     -1.66551947     -0.70399094      0.23360482
+C     -0.36602256     -1.17550196     -0.27092738
+H      2.20297226      1.11492733     -1.06993948
+H      2.17779227     -0.69434631     -1.38456065
+H      2.12035927     -1.12998568      1.11447979
+H      2.13611586      0.67966599      1.43136396
+H     -0.35536766      1.52215067      1.27116971
+H     -0.05632558      2.10640393     -0.38775883
+H     -2.56517867      1.22005374      0.32928521
+H     -1.89033492      0.82392875     -1.28194062
+H     -2.43818090     -1.25605296     -0.14330779
+H     -0.38162242     -1.39886783     -1.36046167
+H     -0.04886116     -2.08617683      0.26076126 
+
+18
+-1827.0969069289886 11.240678 12.14029 -8.8092 -6.814 -10.172 0.9005 -0.0549 3.07 9.38899 -2.88461 8.3505438902 10.0767389752 0.123498914
+C     -1.26013480     -0.78013627     -0.53720140
+C     -1.26239380      0.77953894     -0.53203811
+C     -0.00509700      1.09696559      0.32137008
+C      1.25750917      0.78336266     -0.50846165
+C      1.25975551     -0.77807729     -0.51264076
+C     -0.00233920     -1.09964116      0.31479757
+N      0.05789981     -0.00423346      1.32087835
+H     -1.20537152     -1.20739834     -1.54987043
+H     -2.16451830     -1.18582336     -0.05889680
+H     -2.16760486      1.17935217     -0.05034047
+H     -1.20962137      1.21374825     -1.54184814
+H     -0.00717050      2.09130605      0.78767638
+H      2.15235674      1.17896251     -0.00962721
+H      1.20612029      1.21843461     -1.51649224
+H      2.15538628     -1.17368914     -0.01520484
+H      1.21035569     -1.20796684     -1.52299460
+H     -0.00223246     -2.09670687      0.77522784
+H     -0.79974969     -0.00698804      1.88610645 
+
+18
+-1807.7403700129785 11.313431 12.26302 -8.6012 -6.5209 -10.186 0.8861 -0.0538 3.056 9.54489 -2.88423 8.3206756628 10.7328728872 0.119746893
+C     -1.17176194     -0.00131385      0.99832554
+C     -0.63852378     -1.03209800     -0.02279823
+C      0.85713010     -1.28864594      0.20877737
+C      1.65997144     -0.00067911     -0.08859814
+C      0.85791768      1.28693890      0.21234456
+C     -0.63787748      1.03193560     -0.01997248
+N     -0.76620616      0.00147118     -1.13560482
+H     -0.75527725     -0.00284196      2.01953624
+H     -2.27093042     -0.00103180      1.04513048
+H     -1.20604460     -1.96108626     -0.17980500
+H      0.99931621     -1.62813416      1.24817840
+H      1.21338423     -2.09952344     -0.44515765
+H      1.89112173      0.00073768     -1.16201115
+H      2.62087581     -0.00171807      0.44644913
+H      1.21469757      2.09943634     -0.43929059
+H      1.00026566      1.62342226      1.25270036
+H     -1.20485368      1.96167737     -0.17445989
+H     -1.75317511      0.00220326     -1.41963410 
+
+18
+-1787.5353673986958 11.671611 12.82024 -8.4805 -6.4497 -9.648 0.9777 0.08 2.85 9.13503 -2.54571 7.72370787 11.6421862112 0.107053789
+C     -1.65712626      0.62843987      0.26722505
+C     -1.59868298     -0.85819556     -0.25708803
+C     -0.11228822     -0.80801579      0.19098712
+N      1.18523084     -1.30521576     -0.27957539
+C      2.07555350     -0.19161701      0.22644536
+C      1.20011916      1.11014388      0.56054598
+C     -0.12679011      0.68534812     -0.04967230
+H     -2.31491404      1.33024709     -0.26089800
+H     -1.87323227      0.65957059      1.34509812
+H     -1.71184808     -0.88559926     -1.35137021
+H     -2.25758818     -1.60587662      0.20356356
+H     -0.12734362     -0.97093133      1.28682117
+H      1.18653879     -1.25767316     -1.30412874
+H      2.57863007     -0.53661135      1.14150424
+H      2.85487172      0.01866246     -0.51907375
+H      1.13000606      1.24275565      1.65046826
+H      1.64352790      2.01992398      0.13145899
+H     -0.06456427      0.82428420     -1.14631142 
+
+18
+-1807.0227908049558 11.359917 12.22055 -8.2481 -6.1599 -9.649 0.9105 -0.0086 3.051 8.9954 -2.80856 7.7858744504 10.8485022308 0.0907864
+C     -0.85799637      0.01398975     -1.14892606
+C     -0.64550675      1.07999243     -0.02904221
+C     -1.16882021      0.00550541      0.96544815
+C     -0.60042722     -1.04479601     -0.04055861
+N      0.84783366     -1.25381802      0.12100830
+C      1.62241936     -0.01480410     -0.10780820
+C      0.85821217      1.29027282      0.22118320
+H     -1.90709476     -0.01705473     -1.47275594
+H     -0.20541698      0.01732699     -2.03338169
+H     -1.19141631      2.03163415     -0.10147135
+H     -0.75838266      0.00444850      1.98791552
+H     -2.26846381     -0.01833269      1.00581965
+H     -1.10445126     -2.02004569     -0.11605759
+H      1.01747294     -1.59392271      1.07101419
+H      1.90904868      0.01027014     -1.17212266
+H      2.56410752     -0.08211786      0.45572996
+H      1.25097032      2.10600665     -0.40828543
+H      1.00748168      1.59276497      1.27180078 
+
+18
+-1793.4440358828695 11.987975 12.93465 -8.1415 -6.1832 -9.28 1.0527 0.1785 3.055 8.4655 -2.74484 7.3756915666 12.4316546676 0.156617656
+C     -1.81187132      0.79543792      0.17602676
+C     -1.70756640     -0.67937066     -0.33788864
+N     -0.27465440     -0.59822095      0.02223148
+C      0.98133740     -1.05846789     -0.53266863
+C      1.93310895      0.07922673      0.00038293
+C      1.01157094      1.26718137      0.48020478
+C     -0.29515657      0.84143989     -0.17515402
+H     -2.47686145      1.47817062     -0.36651600
+H     -2.00153129      0.83336829      1.25661022
+H     -1.89433772     -0.73450870     -1.43211416
+H     -2.27843156     -1.46380184      0.17935222
+H      1.26874131     -2.05534599     -0.16648732
+H      0.98581768     -1.07500831     -1.64523046
+H      2.55264073     -0.28862575      0.82869617
+H      2.61263549      0.40919387     -0.79767475
+H      0.92016742      1.26947924      1.57538618
+H      1.39442300      2.24286325      0.14966598
+H     -0.23315222      1.09503890     -1.26714272 
+
+17
+-1677.0467559346846 11.108565 12.11657 -8.7387 -6.569 -10.148 0.875 -0.0482 2.931 9.45773 -2.59462 8.1244058248 11.4462387368 0.2463635
+C      1.92039030      0.12941583     -0.70354766
+N      1.75833803     -0.01003779      0.76522327
+C      0.56405655      0.06221259     -0.10297442
+C     -0.36678534      1.26706288      0.09525914
+C     -1.77095850      0.68540631     -0.13725884
+N     -1.61121017     -0.71792434      0.28201191
+C     -0.34809177     -1.14500798     -0.33429461
+H      2.32573097      1.09185018     -1.02789194
+H      2.26894076     -0.73212585     -1.28197805
+H      1.92837737     -0.98554472      1.03381028
+H     -0.25407049      1.62807191      1.12690046
+H     -0.13926826      2.09571456     -0.58920880
+H     -2.54711178      1.18294401      0.46167615
+H     -2.04708851      0.78441234     -1.20965188
+H     -2.39593451     -1.29508875     -0.02579732
+H     -0.43829049     -1.33152971     -1.42761643
+H      0.03500584     -2.06359147      0.13792873 
+
+15
+-1542.6908844387435 10.452748 11.04682 -8.9198 -6.8965 -10.009 1.1174 -0.3422 0.909 9.4232 -0.28599 4.5443596692 11.6390865612 0.226271054
+C      0.93854832     -1.19201742      0.83613801
+C      1.19728943     -0.35310946     -0.36161279
+C      0.98951813      1.14327626     -0.39943904
+C     -0.27567152      1.57420263      0.35548888
+N     -1.43961714      0.70640370      0.16578312
+C     -1.23437221     -0.52827462     -0.09269965
+N     -0.00315808     -1.22459783     -0.32649914
+H      1.50008402     -2.11592086      0.98982959
+H      0.58146382     -0.70461296      1.74665089
+H      1.94354315     -0.73357439     -1.06707889
+H      1.87397364      1.66947843     -0.00637217
+H      0.89041576      1.43758470     -1.45705639
+H     -0.08140104      1.62556384      1.44079500
+H     -0.56269275      2.59437344      0.05864097
+H     -2.10635353     -1.18864547     -0.18515840 
+
+15
+-1524.0312819634298 10.610277 11.03298 -8.4876 -6.4894 -9.8 1.077 -0.3929 0.785 9.32102 -0.1424 4.604034131 11.5195888544 0.223899707
+C      0.94280286     -1.20809012      0.82778523
+C      1.21914490     -0.33885636     -0.34928661
+C      1.05861308      1.16237860     -0.38639654
+C     -0.24381390      1.63243906      0.27034758
+C     -1.34874394      0.61703065      0.17934373
+N     -1.25985040     -0.64897507     -0.02111996
+N      0.01663740     -1.22943062     -0.33456018
+H      1.51965922     -2.12230221      0.98630787
+H      0.55388579     -0.74100012      1.73652232
+H      1.95707731     -0.72344685     -1.06022096
+H      1.93083033      1.65748539      0.06829988
+H      1.04949142      1.46264569     -1.44626642
+H     -0.08820445      1.84469415      1.34300885
+H     -0.58216056      2.58454874     -0.16690707
+H     -2.37072906      0.97008907      0.36863226 
+
+18
+-1798.6932789615582 11.294607 12.19673 -8.1163 -6.077 -9.875 0.9066 -0.0108 3.055 9.23801 -2.78638 8.0810727178 10.7596042688 0.098987306
+C     -0.86534198      0.00877237     -1.11056425
+C     -0.64065698      1.09927473     -0.03313209
+C     -1.12880435      0.00791893      0.94121154
+N     -0.67934202     -1.05165048     -0.04120312
+C      0.77305554     -1.26187871      0.17053114
+C      1.64228328      0.00333281     -0.06794646
+C      0.86443287      1.31674038      0.19355322
+H     -1.90294876     -0.02687218     -1.47482177
+H     -0.17868527     -0.05125204     -1.96813779
+H     -1.19890978      2.04658452     -0.09881554
+H     -0.65707623     -0.04963741      1.93557343
+H     -2.22406428     -0.03233567      1.05040113
+H      0.88890393     -1.63773298      1.19978223
+H      1.10592572     -2.07114421     -0.49963380
+H      1.98006355      0.00228680     -1.11523392
+H      2.55811607     -0.04160870      0.54017619
+H      1.24545405      2.10858443     -0.47110882
+H      1.01708462      1.67191740      1.22659869 
+
+18
+-1785.0980542759783 11.672507 12.7583 -8.637 -6.5712 -9.895 0.9411 0.0529 2.818 9.41598 -2.50602 7.8487849468 11.7781492588 0.106902144
+C     -1.74177934      0.59553201      0.27414152
+N     -1.70993630     -0.85003157     -0.21688317
+C     -0.21364826     -0.77715147      0.07963879
+C      1.08805494     -1.19089257     -0.58620122
+C      2.02356521     -0.03495861     -0.03224611
+C      1.10996829      1.13638025      0.53175115
+C     -0.22886692      0.72263775     -0.06986679
+H     -2.45508384      1.24974668     -0.24561726
+H     -1.95220587      0.59848395      1.35471055
+H     -1.82195033     -0.80885729     -1.23988478
+H     -0.14059951     -1.03111602      1.15523429
+H      1.46460526     -2.18716585     -0.31490641
+H      1.01384124     -1.13729633     -1.68365140
+H      2.67917641     -0.42203594      0.75999252
+H      2.67782142      0.33794474     -0.83222456
+H      1.08506254      1.10960820      1.63182497
+H      1.48069969      2.12419004      0.22438465
+H     -0.19376462      0.93493201     -1.15632672 
+
+18
+-1787.9734076837392 11.672717 12.82759 -8.4376 -6.3484 -9.928 0.9739 0.086 2.925 9.22453 -2.63012 7.884951663 10.7830500214 0.149583754
+C     -1.75720219      0.71266454      0.28910513
+C     -1.78967933     -0.72808694     -0.33829480
+C     -0.28181422     -0.80977838      0.05693347
+C      1.06901982     -1.19368696     -0.52297538
+N      1.95167154     -0.08630377      0.00886322
+C      1.10444551      1.05080261      0.54652086
+C     -0.24158301      0.70722285     -0.06678325
+H     -2.38819168      1.49017995     -0.16140761
+H     -1.93658064      0.67339848      1.37400689
+H     -1.93869968     -0.67954181     -1.42726564
+H     -2.47502809     -1.46830115      0.09542221
+H     -0.26407314     -1.04720135      1.13836603
+H      1.46441324     -2.16942344     -0.20365021
+H      1.06370571     -1.16975955     -1.62636268
+H      2.53070679     -0.45605111      0.76248544
+H      1.05973593      1.05116757      1.64982736
+H      1.52613577      2.01139730      0.21286204
+H     -0.18499234      0.94090115     -1.14700309 
+
+14
+-1538.2361203415217 11.446114 11.84599 -7.9014 -5.9623 -7.892 0.8845 0.0562 1.11 7.31469 -0.557 4.837623755 6.165389829 0.372815842
+C      2.50893395      0.23082570      0.99285395
+C      2.13573138     -0.04978898     -0.52514147
+C      2.46098680      1.41572897     -0.78381234
+C      2.61478490      2.58114537     -1.50703576
+N      3.04104214      3.52742428     -0.57820502
+C      3.15799537      2.98927703      0.70106581
+C      2.79292463      1.66515627      0.56564709
+H      3.37508506     -0.34036835      1.35893595
+H      1.67347911      0.09726208      1.69615947
+H      1.08776265     -0.34336567     -0.68649687
+H      2.78933994     -0.78074986     -1.02411316
+H      2.47819658      2.85705947     -2.54799524
+H      3.24407223      4.49363303     -0.80670731
+H      3.48152524      3.61078067      1.53019491 
+
+15
+-1538.0335968649642 10.639744 11.04096 -8.2029 -6.1782 -8.922 1.1233 -0.192 0.79 8.46075 -0.17009 5.0730979662 10.9015434416 0.122829106
+C      1.80168038     -0.24949452      0.26521656
+C      0.90763103     -1.50074304      0.51697433
+C     -0.17113986     -0.91243276     -0.45781147
+C     -1.46444801     -0.44049647      0.14216321
+N     -1.46044914      0.80261015      0.49896411
+N     -0.19150652      1.34256667      0.28365058
+C      0.64673878      0.42023290     -0.52264723
+H      2.67298707     -0.46782709     -0.36855280
+H      2.13192374      0.30515312      1.15373492
+H      1.33960865     -2.46309654      0.21154343
+H      0.54496524     -1.58921338      1.54982873
+H     -0.29742843     -1.48518349     -1.38749943
+H     -2.35898249     -1.04286830      0.30044565
+H     -0.27572345      2.29775025     -0.06194278
+H      0.89840301      0.85082251     -1.50465782 
+
+16
+-1676.5572282003875 11.007688 11.55864 -8.8647 -6.7993 -8.664 0.9081 -0.0094 1.385 8.15406 -0.7491 5.7263306058 5.7263306058 0.217627887
+C      0.37287909      1.56691856      0.56348460
+C      1.40919394      0.54316331      0.02098928
+C      0.49814454     -0.39027504     -0.86326438
+N     -0.51014845      0.54825687     -1.42795792
+C     -0.95948949      1.04963323     -0.10013125
+C     -1.26923843     -0.26861824      0.58675490
+C     -0.37423594     -1.15280668      0.11807080
+H      0.59455773      2.58779385      0.21786162
+H      0.31668180      1.58863411      1.66068405
+H      1.93256787     -0.00763499      0.81482174
+H      2.16943445      1.03209884     -0.60651087
+H      1.02820780     -0.97904148     -1.62147331
+H     -0.02124216      1.30567592     -1.92319515
+H     -1.77052166      1.78555650     -0.15626989
+H     -1.99643386     -0.40240654      1.38587545
+H     -0.20054723     -2.17646825      0.44557032 
+
+16
+-1672.8072739305096 11.287306 11.89928 -8.7471 -6.6164 -8.93 0.987 -0.1411 1.318 8.44155 -0.68383 6.0058694414 6.0058694414 0.287426186
+C     -0.45006459     -1.56125364     -0.32468649
+C      0.79539617     -1.21777701      0.51819565
+C      1.18602796      0.24211781      0.42452323
+N      1.05769283      0.88741949     -0.89558852
+C      0.09936785      1.24647065      0.20498336
+C     -1.29204965      0.75121715      0.06875622
+C     -1.54999510     -0.54603736     -0.16805138
+H     -0.81205319     -2.56538911     -0.05515316
+H     -0.15997931     -1.61043258     -1.38746151
+H      1.63889948     -1.85787007      0.21415571
+H      0.59039868     -1.43835774      1.57967665
+H      2.01774457      0.54965507      1.06796587
+H      1.75538918      1.63435170     -0.97994899
+H      0.22517420      2.23218764      0.66101087
+H     -2.10684906      1.47227384      0.17016266
+H     -2.58399001     -0.88387585     -0.27413017 
+
+17
+-1679.7258485527318 11.077982 11.91317 -8.5159 -6.3844 -9.999 0.8706 -0.0871 3.126 9.25943 -2.85322 8.054688497 11.6885073808 0.10569973
+C     -1.50796095      0.80064371      0.18401798
+C     -1.38744642     -0.69809962     -0.11845618
+C     -0.00160448     -1.22935537      0.22806870
+N      1.04327798     -1.06360803     -0.81514685
+C      1.12722914     -0.27014371      0.42625020
+C      0.87098980      1.22181458      0.33095525
+N     -0.36614367      1.50933885     -0.39592229
+H     -2.43234855      1.19994450     -0.25889178
+H     -1.57925211      0.94435056      1.28788195
+H     -1.57466005     -0.87300942     -1.18878830
+H     -2.14979620     -1.24909180      0.45393428
+H      0.02765893     -2.15232145      0.81574666
+H      1.70652373     -1.84328523     -0.76145561
+H      1.89531991     -0.54190696      1.15823252
+H      0.84897004      1.60550594      1.37792616
+H      1.71110355      1.71284021     -0.18712503
+H     -0.53321064      2.51569325     -0.39517765 
+
+17
+-1649.1099362369714 11.185509 12.07509 -8.4519 -6.3838 -9.519 0.9669 0.042 2.903 9.17938 -2.5633 7.4060929338 12.2804165448 0.09850243
+C     -1.74694169      0.61484909      0.24005607
+N     -1.71729544     -0.81475787     -0.30070452
+C     -0.22546810     -0.78564188      0.05537181
+C      1.11611454     -1.15213672     -0.55351571
+C      1.96048117      0.11147208     -0.03180229
+N      1.03267506      1.18579619      0.50870233
+C     -0.22906144      0.70712340     -0.07746035
+H     -2.43637234      1.29982674     -0.27154636
+H     -1.97935694      0.58022407      1.31545381
+H     -1.79729397     -0.74207096     -1.32453577
+H     -0.20708783     -1.05259822      1.12913182
+H      1.54967166     -2.10281067     -0.21390168
+H      1.08634702     -1.15369695     -1.65320295
+H      2.67694698     -0.17706099      0.74905114
+H      2.53308575      0.53453284     -0.86925570
+H      0.97914489      1.06025755      1.52516577
+H     -0.17803932      0.94737231     -1.15763741 
+
+15
+-1557.4451681695643 10.556168 11.04807 -8.4363 -6.4095 -9.152 0.7957 -0.1374 0.946 8.5671 -0.32926 5.131842533 8.6316077536 0.135913765
+C      1.85871211     -0.33586191      0.20789723
+C      1.00488135     -1.57788136      0.60895932
+C     -0.15121861     -1.07752798     -0.31107187
+N     -1.41067823     -0.75128030      0.36895825
+C     -1.34675696      0.50932434      0.62954458
+N     -0.18414240      1.19383160      0.27864772
+C      0.63662315      0.27233963     -0.52470349
+H      2.67507768     -0.58144458     -0.48638852
+H      2.26179645      0.27051990      1.03056492
+H      1.43106061     -2.55784583      0.35503311
+H      0.70040348     -1.58770463      1.66390904
+H     -0.33478146     -1.70479195     -1.19480508
+H     -2.14039201      1.05393285      1.14867868
+H     -0.25764823      2.16970088      0.00068226
+H      0.80307307      0.65802932     -1.54212614 
+
+13
+-1404.5257277852513 10.531963 10.97626 -8.5902 -6.7203 -8.47 0.8018 -0.0497 0.622 7.75525 0.01862 4.6565917964 11.6911110868 0.315253198
+C      1.35607915      0.77700713      0.13584598
+C      2.55513815     -0.26130949      0.02397259
+C      3.49140624      0.95302392     -0.01128390
+C      2.44762361      1.83481916      0.08558187
+N      2.95667180      3.09291184      0.08137459
+N      4.32339232      3.05526218     -0.01664731
+C      4.65827759      1.74932299     -0.07405998
+H      0.78580960      0.71915106      1.07425496
+H      0.65903213      0.76522060     -0.71453750
+H      2.52996786     -0.87356923     -0.88872668
+H      2.65687369     -0.91934798      0.89871635
+H      2.50433485      3.99913584      0.13687997
+H      5.71045302      1.48886197     -0.15541093 
+
+18
+-1790.2273637233 11.590496 12.90632 -9.294 -7.1445 -10.806 0.9455 0.0313 2.96 10.22075 -2.60268 8.737665378 10.443278787 0.134038627
+C      0.63332727      1.04492783     -0.31077035
+N     -0.45118849      0.13370958      0.12214544
+C      0.91281182     -0.40132984     -0.09498774
+C      1.64324341     -0.91962406      1.11889308
+C      1.45379529     -0.21702930      2.49307821
+C      1.45781559     -1.61705281      3.16417304
+C      1.13916783     -2.23801572      1.77866976
+H      0.63024132      1.42579383     -1.33520245
+H      0.94068715      1.76824326      0.44914443
+H     -1.04472778     -0.09832622     -0.67952271
+H      1.06832399     -0.99543597     -1.00411559
+H      2.71706514     -1.00347475      0.87914595
+H      0.45846075      0.24740984      2.54655283
+H      2.21733569      0.50806222      2.80740451
+H      2.46284939     -1.89811084      3.51177537
+H      0.74156141     -1.79264443      3.97831533
+H      1.63831159     -3.17744319      1.50232358
+H      0.05430863     -2.34528941      1.63053732 
+
+18
+-1785.3421338261032 11.862641 13.09994 -8.891 -6.8525 -10.463 0.9927 0.098 3.304 9.75218 -3.31507 8.6907614742 13.0225223492 0.129138368
+C      0.61067903      0.35274641     -0.79465671
+C      0.06369931      1.32245053      0.19769503
+N      0.11835951     -0.11312939      0.50994155
+C      1.15338855     -0.49941833      1.45819553
+C      0.74134595     -0.59003638      2.94993939
+C      1.60077610     -1.87959887      3.05861208
+C      1.53230772     -2.00170967      1.51141013
+H      0.01400025      0.05122433     -1.65827608
+H      1.69425119      0.36419275     -0.95532270
+H     -0.93781422      1.73850131      0.06859076
+H      0.78278818      1.98004306      0.69826241
+H      2.06703554      0.12551160      1.34748068
+H     -0.33254749     -0.81491757      3.02325506
+H      0.98196987      0.25815802      3.60536533
+H      2.62095915     -1.66245133      3.40648721
+H      1.19707926     -2.71036947      3.65196784
+H      2.43089857     -2.32803733      0.97016111
+H      0.67341352     -2.61033968      1.19353139 
+
+18
+-1809.6941428588261 11.50468 12.71228 -9.1219 -6.9998 -10.722 0.9171 0.0189 2.904 10.09896 -2.5603 8.5125315992 11.3430699862 0.27054554
+C      1.93101087      0.13442675     -0.66512727
+N      1.72477162     -0.02041250      0.79723171
+C      0.55427198      0.04916530     -0.11394406
+C     -0.37187815      1.26497542      0.06473458
+C     -1.80368453      0.71410143     -0.11495699
+C     -1.68573536     -0.77370743      0.26085811
+C     -0.33560810     -1.17402903     -0.35537403
+H      2.33697963      1.10453084     -0.96584360
+H      2.30860778     -0.71823490     -1.23798779
+H      1.89528406     -1.00027202      1.05141944
+H     -0.22332480      1.66582374      1.07869832
+H     -0.14078703      2.07247593     -0.64513233
+H     -2.54652134      1.25442902      0.48847397
+H     -2.11485139      0.80005511     -1.16929509
+H     -2.52616246     -1.38112074     -0.10389871
+H     -1.64543432     -0.88295185      1.35741766
+H     -0.45924249     -1.33761646     -1.44008892
+H      0.09111402     -2.09612861      0.06862500 
+
+16
+-1664.128627202959 11.116376 11.73584 -8.7366 -6.6532 -8.926 0.9158 -0.0527 1.424 8.40629 -0.77531 6.0848237262 6.0848237262 0.296829998
+C     -0.99562838     -0.04589729      1.12160020
+C     -0.63909694      1.01581250      0.04960547
+C      0.87335465      1.27765458     -0.00425158
+C      1.61858983     -0.03697955     -0.01392710
+C      0.91276123     -1.17649621     -0.01326709
+C     -0.59550999     -1.04471560      0.00049276
+N     -0.95849571      0.00820408     -1.04675878
+H     -0.43608155     -0.06977649      2.06983997
+H     -2.07815643     -0.06036174      1.31589060
+H     -1.21983350      1.94918290      0.01354242
+H      1.11462376      1.85843327     -0.91100090
+H      1.18507432      1.89447918      0.85746919
+H      2.71112324     -0.03046818     -0.02876019
+H      1.38224234     -2.16177947     -0.01685102
+H     -1.12304334     -2.00351447     -0.08961400
+H     -1.98478353     -0.00923752     -1.11821994 
+
+16
+-1656.936297765378 11.085865 11.68302 -8.289 -6.272 -8.843 1.4671 -0.0386 1.358 8.34323 -0.72159 5.9503237134 5.9503237134 0.284638492
+C     -0.97819398     -0.04153083      1.05944699
+C     -0.60515279     -1.11611004      0.00502972
+C     -1.02836958     -0.01707960     -1.00426757
+N     -0.67884415      1.03546501      0.03233244
+C      0.78956638      1.24573447     -0.00082970
+C      1.58542415     -0.04338163     -0.03559504
+C      0.90850278     -1.20204525     -0.03283990
+H     -0.37763274      0.00252166      1.97929162
+H     -2.05157455     -0.01435725      1.29988049
+H     -1.11187045     -2.09181700      0.00578086
+H     -2.11215185      0.01518794     -1.19152718
+H     -0.47319926      0.04911558     -1.95090755
+H      1.02370591      1.87074247     -0.88062660
+H      1.06653197      1.84969569      0.88122525
+H      2.67757984     -0.00040000     -0.06176890
+H      1.40752833     -2.17299123     -0.05661492 
+
+18
+-1779.3388097314617 11.620883 12.60041 -8.704 -6.612 -9.537 0.9125 0.0371 2.64 9.13669 -2.36921 7.059328889 10.7526982486 0.19676119
+C     -1.49584318      0.78331000     -0.03916441
+C     -1.50826735     -0.78074776      0.05566395
+C     -0.21163571     -1.46855141      0.61556709
+C      0.83570841     -0.74265897     -0.20365407
+N      2.12949865     -0.01012237     -0.09059159
+C      0.84196051      0.68270948      0.19089003
+C     -0.18760867      1.45211987     -0.59751766
+H     -2.36470088      1.09776990     -0.63862274
+H     -1.66228032      1.19288416      0.97212934
+H     -1.67797015     -1.18954395     -0.95505361
+H     -2.38230195     -1.08233769      0.65452708
+H     -0.09494293     -1.29252786      1.69649438
+H     -0.26704274     -2.55743494      0.45109637
+H      0.65259458     -0.89887359     -1.27393754
+H      2.59128263     -0.15447604      0.81530878
+H      0.66929887      0.81547222      1.26834589
+H     -0.21734572      2.53835485     -0.41098409
+H     -0.07681402      1.29208411     -1.68039719 
+
+16
+-1638.444892939598 11.404961 12.05886 -8.8061 -6.7102 -9.292 1.0646 0.0146 1.153 8.75192 -0.50141 6.185227589 10.9051514342 0.339285455
+C     -0.08968237      1.45659484      0.57433862
+C     -1.41842226      0.73839670      0.27603267
+C     -1.53468164     -0.50281535     -0.25646707
+C     -0.36189620     -1.45217767     -0.56196266
+C      0.74698048     -0.81248146      0.24932816
+N      2.09300412     -0.19340863      0.11089701
+C      0.87418750      0.59525248     -0.20108754
+H      0.11807207      1.47346294      1.65716415
+H     -0.14238160      2.50528643      0.23489586
+H     -2.33727313      1.29846818      0.47402113
+H     -2.54197026     -0.88810615     -0.44264584
+H     -0.61433471     -2.47979455     -0.24938207
+H     -0.15485327     -1.48588345     -1.64547558
+H      0.53746090     -0.91178675      1.31985884
+H      2.54592962     -0.40859745     -0.78511268
+H      0.69663074      0.70297989     -1.27894300 
+
+18
+-1809.8335112441746 11.92643 12.67033 -8.4442 -6.32 -9. 0.8974 -0.0905 1.401 8.4784 -0.75147 6.1926295532 6.1926295532 0.353173089
+C      0.80496307     -1.21173396      0.51102184
+C     -0.44018869     -1.52539381     -0.34332723
+C     -1.56530277     -0.53351117     -0.17242408
+C     -1.45165363      0.75983200      0.17269938
+C     -0.17493374      1.54732107      0.35585432
+C      1.00360755      1.06220291     -0.49434662
+N      1.67771432     -0.11642377      0.06865060
+H      1.43691184     -2.11022744      0.58341008
+H      0.45964548     -0.99731788      1.53711107
+H     -0.81596521     -2.52051214     -0.04979718
+H     -0.15911317     -1.62476964     -1.40865382
+H     -2.57625436     -0.93056624     -0.30953714
+H     -2.37833910      1.32611451      0.31117588
+H      0.12344891      1.57883361      1.41996711
+H     -0.38156283      2.59393451      0.08034386
+H      1.75480771      1.86634812     -0.55904084
+H      0.62203549      0.89516213     -1.52374562
+H      2.33205913     -0.47454282     -0.62974162 
+
+15
+-1543.47585906328 11.744362 11.47686 -7.8247 -5.979 -8.345 0.4707 -1.1021 -0.117 7.91176 0.64053 4.0055165132 6.3698923374 0.265013672
+C     -1.39353082      0.67946125      0.15216079
+C     -1.49903296     -0.81185357     -0.17742891
+C     -0.27675100     -1.59260591      0.18485207
+C      0.96453353     -1.09755165      0.40347368
+C      1.48834492      0.25137035      0.23858191
+N      0.96195507      1.34960768     -0.23101538
+N     -0.34866804      1.39026773     -0.59242565
+H     -2.34208573      1.17912933     -0.09202590
+H     -1.22161537      0.79640203      1.23789000
+H     -1.73653269     -0.93148561     -1.24718891
+H     -2.36422970     -1.22982161      0.36863010
+H     -0.42016981     -2.66630162      0.33602795
+H      1.72872137     -1.81701912      0.71286214
+H      2.55125018      0.36817315      0.47136441
+H     -0.59816895      2.35659756     -0.79238830 
+
+16
+-1642.2693471788225 11.664705 12.29291 -8.6871 -6.707 -9.06 1.062 0.1311 1.4 8.52188 -0.74199 6.2265397242 6.2265397242 0.331182374
+C      2.03503695     -0.21969954     -0.04074669
+C      0.69762665     -0.86244551      0.21535166
+C     -0.44730613     -1.53114861     -0.50579087
+C     -1.60340312     -0.57172789     -0.19698529
+C     -1.44567891      0.68144400      0.28223129
+C     -0.08438348      1.35376652      0.45664501
+N      0.79981429      0.49526817     -0.30264898
+H      2.62765301     -0.40958503     -0.94005159
+H      2.62409924     -0.02568375      0.86797467
+H      0.52297089     -0.90419794      1.30715181
+H     -0.68344264     -2.53849260     -0.12297148
+H     -0.27599962     -1.61158326     -1.59105671
+H     -2.61879461     -0.95713900     -0.32624933
+H     -2.32876619      1.27707891      0.52734623
+H      0.17454353      1.44672995      1.53637690
+H     -0.10700986      2.37232558      0.03227339 
+
+20
+-1950.9496536108952 12.064317 13.17613 -8.2177 -6.1288 -9.72 0.9154 -0.0191 3.087 8.99109 -2.85093 7.7553738944 10.8162782694 0.200341362
+C     -1.53336782      0.75676498      0.12530162
+C     -1.55592929     -0.76121171     -0.08950808
+C     -0.32145626     -1.51996445      0.41671538
+C      0.95972736     -1.19915134     -0.37810762
+N      1.72247912      0.01080441     -0.04096198
+C      0.98807087      1.20986983      0.39069769
+C     -0.29181919      1.49165334     -0.40481753
+H     -2.43497612      1.18812212     -0.34017986
+H     -1.61746050      0.96975042      1.20641212
+H     -1.66190125     -0.97080025     -1.16965513
+H     -2.46119298     -1.16907890      0.38986056
+H     -0.16198366     -1.33697055      1.49406163
+H     -0.51764885     -2.60056617      0.31437692
+H      1.66715929     -2.03784097     -0.28759542
+H      0.68449210     -1.16001338     -1.44920316
+H      2.41562884     -0.21772205      0.67186845
+H      0.70774780      1.17963853      1.46637556
+H      1.67809230      2.06275219      0.27639415
+H     -0.48684939      2.57425830     -0.34680143
+H     -0.12464239      1.26955564     -1.47274388 
+
+15
+-1561.5789198650261 11.557314 11.45102 -7.841 -5.9047 -8.009 0.8654 -0.5305 0.439 7.53979 0.1979 4.0967578106 6.5955468574 0.181886021
+C     -1.48669887      0.68058740      0.19508610
+C     -1.43736961     -0.79667236     -0.24643685
+C     -0.27659751     -1.54745921      0.33532864
+C      0.99369432     -1.08937271      0.44152769
+N      1.57549020      0.09240479     -0.00863493
+C      0.93466661      1.15583360     -0.37602338
+N     -0.39704410      1.47508857     -0.35804148
+H     -2.42357137      1.14714761     -0.14395246
+H     -1.47705294      0.72218594      1.29609720
+H     -1.42776473     -0.82451290     -1.34942888
+H     -2.37815259     -1.27656572      0.06591778
+H     -0.47485850     -2.54486573      0.73550885
+H      1.72831204     -1.75943471      0.90121456
+H      1.53908294      1.98139046     -0.77794253
+H     -0.63061588      2.40256496     -0.69797030 
+
+13
+-1402.1990970150437 10.941314 10.53742 -8.7726 -6.9346 -9.076 0.118 -1.4858 -0.072 8.52681 0.65845 3.8474591604 6.1790530862 0.472379973
+C      0.88923571     -1.24591996      0.41785637
+C     -0.41252422     -1.53475464     -0.26828638
+C     -1.40435293     -0.60451210     -0.26124531
+C     -1.23739424      0.68752646      0.36353859
+N     -0.14465971      1.42170331      0.43108423
+N      0.93087110      1.10053877     -0.32634061
+C      1.44633437     -0.07783345     -0.36968897
+H      1.57113243     -2.10414002      0.41138647
+H      0.71752712     -0.92440605      1.45969814
+H     -0.54921718     -2.48789133     -0.78491178
+H     -2.38407519     -0.85269699     -0.67948848
+H     -2.11453285      1.16043741      0.81983672
+H      2.27415558     -0.22661140     -1.07040901 
+
+17
+-1678.8634053774445 11.395629 11.88813 -8.1449 -6.1501 -8.964 0.9194 -0.1461 0.827 8.43437 -0.20092 4.5169215674 8.9478960396 0.19341926
+C      1.75749802     -0.14611717     -0.01645070
+C      0.87152226     -1.28042399      0.51839453
+C     -0.41015068     -1.49273466     -0.29979592
+C     -1.47780350     -0.43697165     -0.07344775
+N     -1.38782639      0.79709888      0.29651290
+N     -0.15443075      1.39800947      0.46779706
+C      0.93602222      1.06624001     -0.46521610
+H      2.35153462     -0.49877562     -0.87656371
+H      2.47412796      0.15488148      0.76369254
+H      1.44931854     -2.21737731      0.54755791
+H      0.58551270     -1.05619465      1.55785808
+H     -0.86292520     -2.45781693     -0.01983461
+H     -0.17616753     -1.58841553     -1.37637592
+H     -2.51500339     -0.77869179     -0.16506682
+H     -0.32060270      2.40092430      0.51785383
+H      1.58179643      1.95380258     -0.54466168
+H      0.50656740      0.88789257     -1.47019364 
+
+18
+-1789.285599489099 11.655532 12.97872 -8.7324 -6.6009 -10.226 0.9606 0.0408 3.094 9.51828 -2.70585 8.3165965234 11.6272706954 0.114480727
+C      0.70056505      1.02672906     -0.39214943
+C     -0.51946014      0.22047104     -0.01171284
+C      0.82634537     -0.45088315     -0.08988954
+C      1.56273161     -0.91755931      1.14241418
+C      1.46977379     -0.15025783      2.48774090
+C      1.43007161     -1.54660228      3.15082465
+N      1.00545050     -2.11717653      1.84388847
+H      0.81034978      1.35621641     -1.42571910
+H      1.09120210      1.72667466      0.34884227
+H     -1.24933660     -0.01235868     -0.78702792
+H     -0.95264614      0.38304270      0.97587658
+H      0.97934681     -1.09625990     -0.95993661
+H      2.63308881     -1.05047573      0.87985804
+H      0.51610936      0.38152400      2.60384991
+H      2.30010911      0.51661849      2.74659603
+H      2.43726840     -1.86443334      3.47990477
+H      0.71708718     -1.70722504      3.97390633
+H      1.45003339     -3.00480456      1.59581329 
+
+17
+-1658.8835543961432 11.159126 12.31881 -8.7093 -6.5604 -10.206 0.9277 0.0004 3.019 9.50283 -2.64375 8.2585090824 11.2231631256 0.122011201
+C      0.65213267      0.92609100     -0.47045038
+N     -0.46883758      0.21191828      0.18056077
+C      0.79955461     -0.49916958     -0.06586607
+C      1.61086916     -0.91982317      1.13700990
+C      1.41843638     -0.17437935      2.48242305
+C      1.40493311     -1.57457384      3.13896053
+N      1.14258845     -2.17542638      1.80044264
+H      0.59414845      1.15534995     -1.53772000
+H      1.10083485      1.71121137      0.14472598
+H     -1.16409794     -0.06586417     -0.51774554
+H      0.81075024     -1.23035339     -0.88295124
+H      2.68072258     -0.95587435      0.84659179
+H      0.43818551      0.31718774      2.51732319
+H      2.20929173      0.51898722      2.79116142
+H      2.38831194     -1.83920113      3.56883399
+H      0.62239497     -1.77938800      3.88562755
+H      1.70488087     -3.00309220      1.58876243 
+
+18
+-1802.97425753438 11.368354 12.47721 -8.6284 -6.5413 -10.226 0.9623 0.0664 3.075 9.59755 -2.77038 8.3066156504 10.8375294698 0.146313165
+C     -1.72008230      0.80997182      0.52005310
+C     -1.14620932     -0.29933994     -0.29419056
+C     -0.33305557     -1.41494924      0.33460653
+C      1.10341880     -1.39620683     -0.23283886
+C      1.71188161      0.03512973     -0.22507934
+C      0.76915882      1.06058260      0.41712425
+N     -0.52095043      1.05000164     -0.29633077
+H     -2.62221580      1.33140719      0.19084543
+H     -1.59361762      0.74670836      1.60729004
+H     -1.63077761     -0.54545174     -1.24565627
+H     -0.30551432     -1.29958861      1.42895428
+H     -0.80781183     -2.38801243      0.13905511
+H      1.73259313     -2.09056984      0.34434261
+H      1.08286189     -1.78308088     -1.26333516
+H      2.67422324      0.04995303      0.30799069
+H      1.91706873      0.36144471     -1.25599220
+H      0.65355535      0.84566832      1.49804367
+H      1.19420324      2.07285208      0.33725746 
+
+17
+-1695.7730942229716 11.309791 11.90433 -8.3952 -6.3995 -9.258 0.7506 -0.2322 1.025 8.59243 -0.41146 4.5317626916 5.7901957944 0.150433491
+C      1.74742809     -0.13045181      0.02234714
+C      0.82459793     -1.25893449      0.51943939
+C     -0.45782254     -1.46007896     -0.30378972
+N     -1.55455929     -0.52433812     -0.02532793
+C     -1.34805482      0.70930968      0.25621434
+N     -0.16911105      1.44826777      0.29971449
+C      0.97899384      1.07021566     -0.53623716
+H      2.40977606     -0.50504287     -0.77561525
+H      2.40004898      0.19630016      0.84752180
+H      1.39066701     -2.20413243      0.54407649
+H      0.52171122     -1.05606142      1.55914950
+H     -0.85552059     -2.46407150     -0.08457271
+H     -0.23453383     -1.46767750     -1.38672319
+H     -2.22450689      1.30977067      0.54347644
+H     -0.32510149      2.44899127      0.38504747
+H      1.64270572      1.94400955     -0.60345814
+H      0.63318164      0.85419433     -1.56283295 
+
+15
+-1540.7618701187355 10.828689 11.03127 -9.0525 -7.0996 -9.507 0.8086 -0.8873 0.519 9.07835 0.10759 4.398279364 5.5895244534 0.25647516
+C     -1.62180208      0.65270947     -0.10007331
+C     -1.30966879     -0.85736177     -0.27068373
+C     -0.16300873     -1.27336288      0.61036189
+N      1.05868816     -0.89165608      0.43991541
+N      1.35502641     -0.15448306     -0.69145546
+C      0.76146658      0.98198538     -0.84520119
+C     -0.32857384      1.49527922      0.05585705
+H     -2.20269459      0.98886737     -0.97359534
+H     -2.25511476      0.82112824      0.78534076
+H     -1.02231132     -1.04131196     -1.31979052
+H     -2.20360246     -1.46113103     -0.06218132
+H     -0.33801342     -1.90974371      1.48491130
+H      1.07655365      1.56130708     -1.72037224
+H      0.02003286      1.41362129      1.09940962
+H     -0.53439767      2.55635245     -0.14157291 
+
+17
+-1650.5534456646037 11.347793 12.35597 -8.6211 -6.4606 -10.012 0.8754 -0.082 3.361 9.84996 -3.24206 8.2922828688 12.534054705 0.257578732
+C      0.58381248      0.36881180     -0.80470986
+C      0.01251175      1.29015428      0.21835939
+N      0.12837248     -0.15006544      0.49416746
+C      1.19057356     -0.51745566      1.41778666
+C      0.79915136     -0.70235564      2.90245113
+N      1.51020909     -2.02776226      2.95412615
+C      1.60844102     -2.00595409      1.45252461
+H     -0.01357118      0.06522145     -1.66712373
+H      1.66353511      0.42731483     -0.98049420
+H     -1.00690848      1.66721445      0.11174618
+H      0.71033071      1.96462651      0.72660509
+H      2.07770841      0.14532873      1.31704432
+H     -0.28649558     -0.84375022      3.02454885
+H      1.14897094      0.05508588      3.61882036
+H      2.44350103     -1.88989826      3.35107162
+H      2.59127868     -2.26819703      1.03477985
+H      0.83925860     -2.65706933      1.00762611 
+
+17
+-1650.7795574874158 11.385332 12.6654 -9.0195 -6.9124 -10.544 0.9521 0.0186 3.285 9.89982 -3.25968 8.720617303 11.3849152612 0.159187706
+C      0.85131435     -0.13992082      0.03191102
+C      0.53540886     -0.13437675      1.50992071
+C     -0.69066779      0.51515104      2.04086779
+N     -0.62525910     -0.95994901      1.91084594
+N      1.62057279      1.04827455     -0.34776572
+C      3.07938474      0.90367933     -0.25056732
+C      2.40199812      0.91481925     -1.58028094
+H      1.38710446     -1.08068942     -0.22624576
+H     -0.09476811     -0.13955889     -0.53219346
+H      1.40983128     -0.13332427      2.17035418
+H     -1.37840129      1.00232255      1.34534028
+H     -0.64623366      0.96136685      3.03731756
+H     -0.44873614     -1.37683264      2.83002057
+H      3.47462016     -0.05943360      0.09235907
+H      3.62173025      1.78367451      0.10225891
+H      2.44091348      1.80457345     -2.21267531
+H      2.35044760     -0.03855611     -2.11783751 
+
+16
+-1666.1843927729992 11.282279 11.83439 -8.4541 -6.4458 -8.815 1.1586 -0.1606 1.273 8.37986 -0.64668 5.8983611808 5.8983611808 0.29037291
+C      0.81352369     -1.24090664      0.74051701
+C     -0.25640789     -1.27286607     -0.32044856
+C     -1.51036357     -0.51136931     -0.11861994
+C     -1.51249773      0.79940742      0.18349377
+C     -0.22258183      1.55044072      0.34974646
+C      0.89114224      0.93556237     -0.52737555
+N      1.00875944     -0.52894583     -0.51904855
+H      1.45424214     -2.11491969      0.88537344
+H      0.58061542     -0.67797301      1.64981233
+H     -0.33735341     -2.17859847     -0.92997532
+H     -2.44951038     -1.05172837     -0.26046956
+H     -2.45695254      1.33472464      0.30498294
+H      0.08898488      1.55301560      1.40912585
+H     -0.34797586      2.61151378      0.07949917
+H      1.87164636      1.34690741     -0.24423861
+H      0.70962904      1.21731544     -1.57655487 
+
+17
+-1668.7282903116525 10.921058 11.83827 -8.4795 -6.3068 -9.807 0.9048 -0.0198 3.18 9.14031 -2.85057 7.863440092 11.857215131 0.122401818
+C     -1.69481919      0.75966963      0.44810928
+C     -1.08122171     -0.36968397     -0.30820137
+C     -0.26730965     -1.42509058      0.41306620
+N      1.10453307     -1.40849875     -0.12827636
+C      1.72001687     -0.05786417     -0.16646097
+C      0.79812067      1.02351294      0.40338358
+N     -0.47595724      0.98687075     -0.33848707
+H     -2.59185910      1.25324738      0.06730677
+H     -1.60618744      0.73695585      1.54053821
+H     -1.51822615     -0.67115810     -1.26516665
+H     -0.31836270     -1.24918842      1.50715853
+H     -0.69746159     -2.42221182      0.23231839
+H      1.68935945     -2.04566492      0.41115306
+H      2.67391499     -0.04951648      0.38497407
+H      1.94678666      0.20555858     -1.21465089
+H      0.65864096      0.87911019      1.49238242
+H      1.25463212      2.01532189      0.26249280 
+
+18
+-1818.9875691084128 11.226005 12.11213 -8.555 -6.5927 -10.142 0.9251 0.0022 3.092 9.34628 -2.82177 8.3669968324 11.1013468806 0.118256464
+C     -1.24224190     -0.80625874     -0.53764678
+C     -1.19853641      0.76200103     -0.50301392
+N     -0.00649385      1.12696794      0.31485225
+C      1.19889654      0.76618951     -0.48534350
+C      1.25009662     -0.80187657     -0.51721400
+C     -0.00226563     -1.15600096      0.31042997
+C     -0.01217800      0.02382188      1.31178998
+H     -1.17662417     -1.21504961     -1.55651460
+H     -2.16533635     -1.19137148     -0.07911084
+H     -2.09340255      1.17371083     -0.01348060
+H     -1.11927014      1.22086744     -1.49803827
+H      2.08490352      1.18275856      0.01601680
+H      1.13152227      1.22318594     -1.48211501
+H      2.16692513     -1.18217996     -0.04231738
+H      1.20377798     -1.21235778     -1.53646142
+H     -0.00391440     -2.16957232      0.73240577
+H     -0.91477661      0.07013854      1.93906014
+H      0.88051794      0.07320574      1.95285142 
+
+17
+-1664.8767524618258 10.862296 11.59393 -8.2699 -6.2235 -9.832 0.8578 -0.0793 3.224 9.18752 -2.93502 7.8745244404 12.8618240946 0.104009625
+C     -0.86782693     -0.02039391     -1.12532170
+C     -0.59743755      1.08452803     -0.06257385
+C     -1.12754408      0.03273604      0.92859074
+N     -0.67672984     -1.05449571     -0.02816296
+C      0.78199811     -1.22053787      0.19235575
+C      1.61128552      0.05340110     -0.10957194
+N      0.83821116      1.27686544      0.21112082
+H     -1.91311588     -0.04395739     -1.46668133
+H     -0.19883258     -0.11348815     -1.99341478
+H     -1.09322401      2.06463284     -0.14074723
+H     -0.66012645      0.00505092      1.92369917
+H     -2.22449156      0.01583307      1.01600055
+H      0.91045758     -1.53932984      1.23821608
+H      1.14598178     -2.04274951     -0.44422421
+H      1.90632135      0.02993133     -1.17569359
+H      2.54428549      0.04557415      0.47582774
+H      1.19184788      2.04685946     -0.36010925 
+
+14
+-1541.9944434605688 11.44776 11.83294 -7.7446 -5.8802 -7.705 0.853 0.0027 1.283 7.18386 -0.62743 4.7032725254 6.1324219516 0.431356672
+C      2.72075912      0.29414507      0.90362735
+C      2.25538534      0.03735579     -0.57901906
+C      2.54887331      1.51591387     -0.79465819
+C      2.54793382      2.74445990     -1.43578828
+C      3.01142473      3.67601793     -0.44799997
+C      3.26060945      3.01000665      0.75375844
+N      2.98285474      1.69057414      0.49093890
+H      3.62025129     -0.24852198      1.22790841
+H      1.92801410      0.20363893      1.66046898
+H      1.20210457     -0.26160042     -0.67398155
+H      2.88575440     -0.66852942     -1.13791505
+H      2.26672862      2.97397359     -2.45875298
+H      3.16562650      4.74006619     -0.60599197
+H      3.62735001      3.36926975      1.70907499 
+
+16
+-1665.8918008766038 11.251894 11.80994 -8.39 -6.3368 -8.918 1.2664 0.0734 1.403 8.47623 -0.76775 6.0307782288 6.0307782288 0.25998324
+C      0.85534083     -1.57805946      0.61514186
+C      1.49821652     -0.17092426      0.61226214
+N      0.60245359      0.25488476     -0.50881877
+C     -0.21037489      1.45610493     -0.22959788
+C     -1.45337698      0.92999315      0.45548959
+C     -1.47856674     -0.41045909      0.43751845
+C     -0.26276017     -0.95547734     -0.26307736
+H      1.44650561     -2.33086007      0.07837792
+H      0.54765451     -1.97792028      1.58922634
+H      2.57020793     -0.11028846      0.36956134
+H      1.31041405      0.38311425      1.54995953
+H      0.36318521      2.16304727      0.39496111
+H     -0.46471728      1.99383890     -1.16203548
+H     -2.23124612      1.57404436      0.86905676
+H     -2.27999416     -1.03881168      0.82917175
+H     -0.53190190     -1.52675698     -1.17016730 
+
+13
+-1420.9521489346635 10.537278 10.98243 -8.368 -6.4037 -8.087 0.7424 -0.1362 1.064 7.63092 -0.32218 4.671110557 6.5501059884 0.265100507
+C      2.23480155      0.46952696     -0.84626317
+C      2.39960656     -0.02577892      0.64245728
+C      2.95791275      1.36594186      0.89393442
+N      3.34042692      2.33076785      1.70955329
+C      3.47796876      3.41032439      0.84106814
+C      3.15333319      3.09536788     -0.47628122
+N      2.84572347      1.75044452     -0.40305243
+H      1.19469648      0.58026676     -1.18157337
+H      2.82943902     -0.06153206     -1.60171962
+H      3.09878548     -0.86192746      0.77719072
+H      1.45166267     -0.25185649      1.14896067
+H      3.81928796      4.37528743      1.20759224
+H      3.16018522      3.68092729     -1.38820695 
+
+13
+-1419.999903995951 10.542177 10.95153 -8.3444 -6.3809 -8.067 0.7139 -0.155 1.01 7.56119 -0.2624 4.6890761284 8.8296133956 0.402999404
+C      2.67253725      0.26555621      0.90579154
+C      2.19235849      0.05971775     -0.57516946
+C      2.57193810      1.52483373     -0.77818665
+C      2.76504068      2.74923774     -1.38902617
+N      3.29058165      3.62271221     -0.45134400
+C      3.41804601      2.96205569      0.69745615
+N      2.98380042      1.67479652      0.52108173
+H      3.56140584     -0.30650816      1.20191878
+H      1.89192149      0.19123234      1.67403743
+H      1.12438143     -0.17405610     -0.67733065
+H      2.78303360     -0.66852787     -1.14645665
+H      2.57119434      3.06676366     -2.40857810
+H      3.80152070      3.36477628      1.62936605 
+
+15
+-1548.743712072093 10.519349 11.01931 -8.538 -6.5493 -9.472 1.0501 -0.0379 0.886 8.89639 -0.26622 4.8921280006 12.5288968874 0.119135726
+C      1.89939466     -0.14419390      0.20774659
+C      1.02068883     -1.42333903      0.19181198
+N     -0.15621416     -0.61143722     -0.28865305
+C     -1.03974158     -0.14659605      0.70231044
+N     -1.06561884      1.11038538      0.97410242
+C     -0.00995389      1.74462772      0.15384203
+C      0.74134402      0.58103844     -0.52661423
+H      2.85939426     -0.20292424     -0.32125547
+H      2.06565089      0.24785066      1.22096948
+H      1.31843334     -2.16377102     -0.56376392
+H      0.85518881     -1.93011241      1.15324030
+H     -1.70267640     -0.86828974      1.18949126
+H      0.63707569      2.36719500      0.79397539
+H     -0.47701082      2.41360158     -0.58664423
+H      0.92984519      0.74640483     -1.59677898 
+
+13
+-1410.3721677818198 10.544281 11.03208 -8.8143 -6.9393 -8.844 0.7845 -0.0872 0.735 8.06852 -0.12782 5.034203558 6.3573573528 0.305088106
+C      2.15173375      0.15053516      0.90954021
+C      2.43099727     -0.00833637     -0.63827158
+C      2.53761690      1.51447865     -0.65848184
+C      2.70566620      2.81939319     -1.11109781
+C      2.53442021      3.58222917      0.08162734
+N      2.28104243      2.83790653      1.18732347
+N      2.29832871      1.59934760      0.66544715
+H      2.91810676     -0.26544739      1.57785930
+H      1.14651789     -0.14071205      1.24379526
+H      1.59350076     -0.43362231     -1.20677679
+H      3.35463028     -0.55211903     -0.87656189
+H      2.91390524      3.19180235     -2.10779130
+H      2.58629361      4.66353450      0.18218848 
+
+15
+-1533.7447859987594 10.672861 11.02982 -8.1661 -6.1898 -9.26 1.5095 -0.0817 0.754 8.81273 -0.12948 4.9975408978 11.293512782 0.126500212
+C      1.75247810     -0.09444709      0.41205839
+C      0.91643078     -1.39248511      0.24964706
+N     -0.18703973     -0.61844664     -0.42480272
+N     -1.23981200     -0.34109054      0.46723762
+C     -1.27951286      0.92474419      0.71635034
+C     -0.16287556      1.74349811      0.10288326
+C      0.70448650      0.62155082     -0.47616537
+H      2.77733093     -0.12341894      0.01946340
+H      1.77444066      0.28354416      1.44374804
+H      1.35040273     -2.13187326     -0.43853785
+H      0.58523445     -1.88954261      1.17046499
+H     -2.08617394      1.32921977      1.33038115
+H      0.35282790      2.36678692      0.85262151
+H     -0.53631591      2.42228721     -0.68176965
+H      1.04826796      0.82059300     -1.49973017 
+
+18
+-1786.6133853785639 11.981521 13.19641 -8.343 -6.3739 -9.704 1.0424 0.1519 3.396 8.91074 -3.16895 7.8581458898 12.0730995542 0.295911459
+C      0.80638285      0.40017019     -0.82343311
+C     -0.02550702      1.24541642      0.11460088
+C      0.23232954     -0.20742578      0.43384738
+N      1.13217537     -0.50826690      1.50409943
+C      0.56989560     -0.68617362      2.87046267
+C      1.60154825     -1.81393780      3.10877379
+C      1.72290167     -1.87271960      1.56771813
+H      0.37316906      0.10500674     -1.77934945
+H      1.88228762      0.57491021     -0.83114056
+H     -1.03063603      1.53104880     -0.19634553
+H      0.50124026      1.97821474      0.72595134
+H     -0.61863243     -0.89892760      0.30241383
+H     -0.46815698     -1.07697958      2.85532975
+H      0.60845087      0.21010710      3.50813181
+H      2.51880160     -1.44675612      3.58609045
+H      1.25106493     -2.71698174      3.62122766
+H      2.72329704     -1.96672674      1.11852277
+H      1.05557780     -2.64515873      1.13349876 
+
+18
+-1808.9498556259034 11.642804 12.78496 -8.6817 -6.639 -9.897 0.9198 0.0023 3.107 9.23315 -2.76494 7.9490400264 11.2482206962 0.238378166
+C      1.97171220      0.07532456     -0.59121387
+C      1.65040997     -0.17994225      0.87106856
+C      0.54351617      0.05056193     -0.13384111
+C     -0.35141405      1.30074526     -0.04944105
+C     -1.79028543      0.72306436      0.03495685
+C     -1.57244116     -0.80434263      0.16979103
+N     -0.28268788     -1.10287771     -0.48223555
+H      2.40207722      1.03994911     -0.86475254
+H      2.32487625     -0.77256292     -1.17982754
+H      1.77787986     -1.19863027      1.23805035
+H      1.86759283      0.61393994      1.58765577
+H     -0.10148730      1.91831085      0.82567333
+H     -0.23088801      1.93310621     -0.94256642
+H     -2.36618617      1.13979612      0.87361221
+H     -2.34862807      0.94513885     -0.88686325
+H     -2.37852232     -1.40532975     -0.27291832
+H     -1.48981684     -1.08496878      1.23286935
+H     -0.42749728     -1.09345288     -1.49877780 
+
+18
+-1806.4564939920062 11.40902 12.47595 -8.2433 -6.2071 -9.559 0.9682 0.0556 3.141 8.88792 -2.85638 7.6931701182 11.7199130346 0.175264087
+C     -1.71460266      0.84259429      0.53810218
+C     -1.17769024     -0.28515019     -0.31220175
+C     -0.34009377     -1.39812994      0.29908706
+C      1.07846372     -1.35425511     -0.29583152
+C      1.72912652      0.05343049     -0.12151830
+N      0.81814723      1.11927736      0.33988065
+C     -0.48016823      1.07024325     -0.29461036
+H     -2.63526427      1.33567645      0.22380950
+H     -1.59323765      0.76704286      1.62225981
+H     -1.74721780     -0.54632712     -1.20796278
+H     -0.29435492     -1.28795107      1.39527052
+H     -0.80149162     -2.37923008      0.11223116
+H      1.71416518     -2.12518184      0.16612624
+H      1.01216783     -1.60532623     -1.36659224
+H      2.55735215      0.00764555      0.60128657
+H      2.17439185      0.37477154     -1.07778746
+H      0.71362846      1.07546740      1.35332293
+H     -0.58384179      1.71512241     -1.17385221 
+
+17
+-1673.9204770552938 10.983187 11.79806 -8.0808 -6.0089 -9.381 0.9053 -0.0535 3.319 8.9048 -3.30636 7.5852898996 11.4720278248 0.162071711
+C     -1.69472956      0.82271905      0.52359499
+C     -1.14450606     -0.24248589     -0.38708696
+N     -0.39697833     -1.35581159      0.15408147
+C      0.99727122     -1.33274594     -0.31181663
+C      1.71258841      0.05206858     -0.13323324
+N      0.83331459      1.13054764      0.34740434
+C     -0.46244578      1.12301861     -0.29147055
+H     -2.62838913      1.30608298      0.23225277
+H     -1.57745517      0.69217861      1.60309146
+H     -1.71818019     -0.47303055     -1.29156967
+H     -0.43785842     -1.35790874      1.17351081
+H      1.54831302     -2.12393374      0.21786166
+H      0.99202523     -1.61508967     -1.37745019
+H      2.54706040     -0.03326783      0.57851212
+H      2.15359322      0.36773470     -1.09391340
+H      0.73483993      1.08897575      1.36071665
+H     -0.57248338      1.81945803     -1.13020565 
+
+18
+-1809.6772791065016 12.034608 12.74169 -8.5405 -6.4278 -8.942 0.8942 -0.069 1.484 8.42209 -0.83435 6.212504509 6.212504509 0.347517354
+C      0.81453358     -1.26607161      0.50721152
+C      1.71695038     -0.10245380      0.06545107
+N      0.95821486      0.99601595     -0.53570467
+C     -0.11205161      1.55491705      0.29470809
+C     -1.40190152      0.77306824      0.20608240
+C     -1.53204034     -0.51790000     -0.13439205
+C     -0.40942232     -1.49528351     -0.39581110
+H      1.42993427     -2.17869001      0.55088519
+H      0.45272502     -1.08957484      1.53303042
+H      2.42226179     -0.45688752     -0.70465118
+H      2.32551272      0.21534781      0.94152947
+H      1.60251733      1.73941882     -0.80620204
+H      0.18097917      1.67615863      1.36492116
+H     -0.31359874      2.57497325     -0.07055267
+H     -2.30879558      1.34606165      0.42467934
+H     -2.54690571     -0.92285116     -0.19854588
+H     -0.79327656     -2.51299877     -0.22329020
+H     -0.10980675     -1.45699016     -1.45787887 
+
+19
+-1819.4607678309217 11.744891 12.50786 -8.1483 -6.072 -9.482 0.8767 -0.0758 3.172 8.95978 -2.87894 7.6362109498 7.6362109498 0.124035606
+C     -1.50160069      0.75566867      0.13860310
+C     -1.49890968     -0.76223936     -0.10581269
+N     -0.32567292     -1.52837230      0.32192827
+C      0.89887435     -1.23648146     -0.41952026
+C      1.71174415      0.02940162     -0.03072148
+N      0.97762289      1.24620969      0.32695370
+C     -0.27144533      1.51266768     -0.39183891
+H     -2.41802573      1.18050574     -0.31195768
+H     -1.58033099      0.95425470      1.22394693
+H     -1.61732702     -0.95026097     -1.18801484
+H     -2.38569933     -1.20475636      0.37801590
+H     -0.17913497     -1.44162886      1.33084756
+H      1.58173049     -2.10255298     -0.34436207
+H      0.61108457     -1.17609094     -1.48230624
+H      2.36387232     -0.20507234      0.82605520
+H      2.39361292      0.24992512     -0.87443969
+H      0.78804156      1.25287274      1.33042825
+H     -0.47422656      2.59595774     -0.33493346
+H     -0.11037002      1.29132185     -1.46083158 
+
+15
+-1505.5745027931114 10.92805 11.42612 -8.5869 -6.5796 -9.156 1.3445 -0.0326 0.696 8.67956 -0.06004 4.6918534148 9.784169211 0.166451661
+C      2.12700378     -0.17694563     -0.03623058
+C      0.79760032     -0.86684555      0.17027166
+C     -0.40268821     -1.43125410     -0.54627310
+C     -1.50592222     -0.45298056     -0.07244044
+N     -1.37671676      0.69994810      0.51341216
+N     -0.09207531      1.23815944      0.74474365
+C      0.83803144      0.61442437     -0.14677614
+H      2.67960850     -0.24170498     -0.97575381
+H      2.75321295     -0.13215841      0.85586308
+H      0.65012691     -0.98196538      1.24978662
+H     -0.66930739     -2.45500750     -0.23251780
+H     -0.32272541     -1.44122563     -1.64564073
+H     -2.54763570     -0.78116450     -0.15571886
+H     -0.17977164      2.25488526      0.71161897
+H      0.59760875      0.80366506     -1.20353466 
+
+16
+-1668.4352303347234 11.344356 12.14994 -9.1129 -6.8921 -9.056 0.9159 0.0334 1.358 8.55371 -0.70477 6.1477590198 6.1477590198 0.307283225
+C      0.71959028     -0.05550221      0.19280655
+N      2.03414377      0.60768988      0.00175431
+C      0.78239047      1.37938989     -0.18131108
+C      0.54842285      2.52642013      0.81298187
+C      0.33821617      3.71829302     -0.08422002
+C      0.24307091      3.37176270     -1.37678467
+C      0.37206126      1.88270051     -1.57551624
+H      0.50030476     -0.34015282      1.22575384
+H      0.37126986     -0.76705700     -0.56187955
+H      2.40849287      0.34942663     -0.91854804
+H      1.41330610      2.63227863      1.48693992
+H     -0.33718244      2.34494666      1.44840046
+H      0.25685781      4.73820094      0.29480262
+H      0.07113992      4.06507008     -2.20134859
+H     -0.58463573      1.43949007     -1.90699265
+H      1.12090114      1.61935289     -2.34327871 
+
+17
+-1658.4667797115567 11.287267 12.77186 -9.1635 -7.0196 -10.727 0.973 0.02 2.975 10.47924 -2.65572 8.767298032 11.349120503 0.346437979
+C      1.29794732      0.20386368      0.22841065
+C      1.21020072     -0.04115392      1.71796289
+C      0.69637576     -1.31744733      2.28069490
+N      2.15365225     -1.04629869      2.26693736
+C      2.43896080      1.12986538     -0.12805201
+C      2.38269643      2.03806669     -1.30345343
+N      2.18184160      2.57880875      0.06208945
+H      1.43384463     -0.76144540     -0.28639306
+H      0.35281222      0.64615089     -0.12716421
+H      1.03610738      0.85971267      2.31602531
+H      0.37910138     -2.11350979      1.60188803
+H      0.16076029     -1.28455758      3.23274584
+H      2.45237815     -0.76182693      3.20507001
+H      3.42989692      0.75714959      0.15242004
+H      1.48666792      2.04969458     -1.92968083
+H      3.31417035      2.26157170     -1.82950447
+H      3.04161586      3.04360572      0.37032353 
+
+16
+-1674.5873185983928 11.000921 11.59006 -8.598 -6.5189 -8.68 0.9145 -0.0105 1.364 8.15926 -0.72526 5.7285003608 5.7285003608 0.222766612
+C      0.39038028      1.35546946      0.78792144
+N      1.29541567      0.31186985      0.20853300
+C      0.41700920     -0.39952302     -0.79433782
+C     -0.47979990      0.73318617     -1.34100724
+C     -0.98048289      1.10259937      0.07597875
+C     -1.42847809     -0.26615114      0.56948702
+C     -0.58875573     -1.17602082      0.04388334
+H      0.76140910      2.37100413      0.57606237
+H      0.30595545      1.23746359      1.87888066
+H      2.03664359      0.78441506     -0.31580804
+H      1.02149906     -0.97600809     -1.50443975
+H      0.09156632      1.53477457     -1.83498027
+H     -1.29080936      0.38307422     -1.99390865
+H     -1.70062910      1.92450749      0.16781193
+H     -2.20190284     -0.43481998      1.31908726
+H     -0.52375076     -2.23751086      0.27876598 
+
+16
+-1667.704572883411 11.345139 11.91911 -8.2026 -6.1036 -8.659 1.0033 -0.0961 1.417 8.23673 -0.78417 5.8656412754 5.8656412754 0.258319683
+C      0.86681824     -1.23403707      0.87368230
+C      1.15917307     -0.34543390     -0.32013909
+N      0.99229341      1.09182902     -0.35877948
+C     -0.17763757      1.63685621      0.35174365
+C     -1.41775083      0.82200559      0.11858037
+C     -1.36800438     -0.48119611     -0.19931213
+C     -0.07983728     -1.20055633     -0.33670917
+H      1.48023631     -2.12451986      1.02216914
+H      0.48601072     -0.77650944      1.78798482
+H      1.97308422     -0.67115769     -0.97239066
+H      1.83765337      1.53893233      0.00136145
+H     -0.01261392      1.72119757      1.44965638
+H     -0.33812420      2.66719660     -0.00773694
+H     -2.37735794      1.32750699      0.24446711
+H     -2.29097447     -1.04626308     -0.35266160
+H     -0.08060875     -2.08090084     -0.98199617 
+
+16
+-1668.4467850970204 11.236105 11.78988 -8.5428 -6.4503 -9.075 0.9329 -0.057 1.426 8.55934 -0.77682 6.2080906074 6.2080906074 0.300729585
+C      1.64311472     -0.36108943      0.56885699
+N      0.81658663     -1.60535425      0.40024602
+C     -0.14521319     -0.84225310     -0.47605937
+C     -1.42130464     -0.47142987      0.23134014
+C     -1.42337092      0.81206315      0.62215392
+C     -0.16355690      1.55306684      0.23348079
+C      0.72215202      0.45182060     -0.38125451
+H      2.68686898     -0.45776490      0.23319061
+H      1.64389070     -0.00803733      1.61330782
+H      1.32324348     -2.30643097     -0.14508110
+H     -0.31098846     -1.29655063     -1.46703471
+H     -2.22146904     -1.18845712      0.42025659
+H     -2.23754248      1.29348747      1.16820258
+H      0.31545828      2.03505799      1.10422031
+H     -0.38044763      2.36320621     -0.48425770
+H      1.21707846      0.76457534     -1.30955839 
+
+16
+-1670.4620707023855 11.30596 11.84713 -8.6088 -6.4772 -8.923 0.9389 -0.0256 1.453 8.42318 -0.80769 6.1121254434 6.1121254434 0.307180679
+C      0.90928223     -1.52008407      0.57125809
+N      1.43390176     -0.17064288      0.92729504
+C      0.73929638      0.45340481     -0.23871440
+C     -0.22611421      1.58916870      0.14997405
+C     -1.50294369      0.84937213      0.47628069
+C     -1.43841551     -0.45863770      0.18035690
+C     -0.10750045     -0.85112046     -0.39754338
+H      1.62580957     -2.16490393      0.03200677
+H      0.49466130     -2.07898864      1.42594994
+H      2.45244398     -0.09543166      0.90087107
+H      1.39779049      0.70392549     -1.08647297
+H      0.16721044      2.14707146      1.01600734
+H     -0.37649810      2.31681503     -0.66732207
+H     -2.37554593      1.34301522      0.90858584
+H     -2.25065834     -1.17224291      0.33153938
+H     -0.18326993     -1.31573059     -1.39179230 
+
+17
+-1691.5529531538987 10.802554 11.52285 -8.5356 -6.441 -10.071 0.8041 -0.1648 3.166 9.74268 -2.91736 8.1802615178 11.40175256 0.166814735
+C     -1.20775426     -0.72736118     -0.53827537
+N     -1.20827661      0.77568250     -0.51442028
+C     -0.02552313      1.10377637      0.32549013
+C      1.21710715      0.73076795     -0.51362282
+N      1.21731521     -0.77236588     -0.49757422
+C      0.02027733     -1.10477676      0.32014412
+C     -0.01188553     -0.00331978      1.40018766
+H     -1.08240869     -1.10001962     -1.56544736
+H     -2.13913517     -1.14077793     -0.12109460
+H     -2.04691373      1.09726281     -0.02526261
+H     -0.04900537      2.14818615      0.66131452
+H      2.14116230      1.14201269     -0.07839121
+H      1.10939951      1.10874386     -1.54085853
+H      2.04739071     -1.09646794      0.00437946
+H      0.03805073     -2.15093349      0.65083060
+H     -0.91804112      0.00212610      2.02503545
+H      0.88343066     -0.01203583      2.04043504 
+
+13
+-1401.521537526981 10.947377 11.1055 -7.5742 -5.694 -7.881 0.8838 0.0438 1.016 7.32589 -0.49813 4.7452913808 6.0889896558 0.236077066
+C      2.58350675     -0.00422860      0.70397771
+N      1.59001895      0.33802415     -0.41168447
+C      2.32928238      1.57135413     -0.58773974
+C      2.49233432      2.84250854     -1.09947747
+N      3.49372940      3.40247170     -0.29507813
+C      3.93664353      2.52197173      0.68726871
+C      3.21034297      1.36659555      0.48954625
+H      3.22958263     -0.86434291      0.47109428
+H      2.06861888     -0.17077644      1.66088286
+H      1.64063741     -0.30594281     -1.20779627
+H      2.05210153      3.40635088     -1.91393811
+H      3.92057215      4.30278749     -0.47770942
+H      4.70920911      2.82312658      1.38738381 
+
+17
+-1655.2935815774276 11.055425 12.17295 -8.4666 -6.2775 -10.066 0.8664 -0.0698 2.911 9.48784 -2.53616 8.2021822426 13.1986568608 0.11352593
+C      0.61492200      1.04405333     -0.34766470
+N     -0.46943188      0.16867959      0.15069223
+C      0.87120346     -0.40295980     -0.10620349
+C      1.64488537     -0.90547246      1.08762263
+C      1.47606580     -0.21111607      2.46411234
+N      1.24709033     -1.53390362      3.14535684
+C      1.15630459     -2.19669613      1.80023142
+H      0.58137095      1.39832789     -1.38100666
+H      0.96787603      1.78058076      0.37941194
+H     -1.10281255     -0.06976961     -0.61774029
+H      0.98115036     -1.01922505     -1.00688936
+H      2.70926599     -0.98688962      0.81179299
+H      0.56848352      0.40865263      2.52050528
+H      2.33677884      0.36516374      2.83396749
+H      2.11081792     -1.82863077      3.60789368
+H      1.77396675     -3.09845054      1.67443217
+H      0.10906252     -2.44529426      1.56390550 
+
+18
+-1807.4445637496626 11.331793 12.21057 -8.4487 -6.3555 -9.871 0.8814 -0.0579 3.021 9.16043 -2.81128 7.9819583094 12.5797559446 0.101308805
+C     -0.86625347      0.00144016     -1.15622624
+C     -0.64906599      1.05788557     -0.03350895
+C     -1.20289151     -0.00145175      0.95811199
+C     -0.64931803     -1.05817125     -0.03644266
+C      0.86259460     -1.23205500      0.22160099
+N      1.63685228     -0.00044516     -0.02637861
+C      0.86290170      1.23066101      0.22501525
+H     -1.90366059      0.00205590     -1.51770320
+H     -0.18053733      0.00256389     -2.01872348
+H     -1.16122696      2.02909285     -0.10318049
+H     -0.79687652     -0.00291427      1.98309663
+H     -2.30173635     -0.00138423      0.99790171
+H     -1.16175213     -2.02903984     -0.10881441
+H      1.00803984     -1.55726320      1.26835000
+H      1.27981514     -2.02449374     -0.41909343
+H      1.91625147      0.00087653     -1.00741862
+H      1.28031309      2.02476931     -0.41347933
+H      1.00842076      1.55292321      1.27266285 
+
+17
+-1675.115679058367 10.855318 11.60414 -8.5088 -6.4002 -9.958 0.8533 -0.1067 3.073 9.633 -2.86623 8.106018701 9.987010307 0.103551199
+C     -1.21172099     -0.00142751      0.98456921
+C     -0.64036960     -1.02528227     -0.02137577
+C      0.86791736     -1.22521174      0.23830853
+N      1.63981016     -0.00063358     -0.05210489
+C      0.86841137      1.22348448      0.24160940
+C     -0.63995661      1.02487760     -0.01861550
+N     -0.74642364      0.00132725     -1.14068909
+H     -0.82118897     -0.00288482      2.01650107
+H     -2.31149100     -0.00123836      1.00265917
+H     -1.17157353     -1.97478092     -0.18483987
+H      1.01641637     -1.52893323      1.28991386
+H      1.26919105     -2.03036364     -0.39485424
+H      1.77276279      0.00071344     -1.06563210
+H      1.27002107      2.03016477     -0.38938949
+H      1.01704447      1.52430638      1.29402667
+H     -1.17075400      1.97503921     -0.17953481
+H     -1.72586630      0.00194295     -1.44944216 
+
+17
+-1650.0150564657215 11.18336 12.08802 -8.6655 -6.5786 -9.766 0.9686 0.047 2.861 9.41986 -2.51474 7.6425838302 9.2344028884 0.109641925
+C     -1.67703231      0.62986815      0.19614486
+N     -1.65454764     -0.80635672     -0.31942704
+C     -0.17157802     -0.77424376      0.05094560
+C      1.17374882     -1.15010825     -0.54583525
+N      2.03661623     -0.04832983      0.02660239
+C      1.17725152      1.08941717      0.55834174
+C     -0.15242628      0.73029028     -0.08538071
+H     -2.35094547      1.31006545     -0.34177821
+H     -1.93299549      0.61880622      1.26649108
+H     -1.71936292     -0.74693873     -1.34551774
+H     -0.15163513     -1.04666708      1.12333000
+H      1.57583072     -2.12920025     -0.24831780
+H      1.16935633     -1.09611499     -1.64837574
+H      2.59616348     -0.42877362      0.78933733
+H      1.11825864      1.08208302      1.66015186
+H      1.60234338      2.05118285      0.23485590
+H     -0.06832585      0.95288008     -1.16574826 
+
+16
+-1670.9702400787212 12.360191 12.34058 -8.2392 -6.2066 -8.109 0.5986 -0.9146 0.446 7.67051 0.13935 4.683819122 7.3645948196 0.411668673
+C     -0.42148826      1.47779066     -0.58178861
+N     -1.32861856      0.66609105      0.23035345
+C     -1.44003814     -0.74742631     -0.13184480
+C     -0.25745043     -1.59419512      0.24317618
+C      1.03042434     -1.20681146      0.35964162
+C      1.62869814      0.09624190      0.08879503
+C      1.04028766      1.23328507     -0.33944231
+H     -0.63407432      2.53203269     -0.33863057
+H     -0.61054167      1.38000103     -1.67783458
+H     -2.25897912      1.08221984      0.18019995
+H     -1.64675858     -0.90483417     -1.21755193
+H     -2.32249925     -1.14312800      0.39729590
+H     -0.48763671     -2.64764659      0.42716980
+H      1.74591161     -1.98132932      0.65156978
+H      2.71560429      0.12871628      0.20909452
+H      1.68860899      2.08813246     -0.55319344 
+
+15
+-1521.4454857855796 10.850953 11.44293 -8.6348 -6.6519 -9.395 0.869 -0.0473 0.873 8.84144 -0.24432 4.4087809782 5.8924594472 0.125162043
+C      2.12666499     -0.17853572      0.00586614
+C      0.76596190     -0.83628066      0.15164594
+C     -0.44322880     -1.39195655     -0.56208623
+N     -1.57767528     -0.50754311     -0.14869310
+C     -1.35257376      0.65147861      0.37037124
+N     -0.10850259      1.30301625      0.60331479
+C      0.86257810      0.62815030     -0.21117339
+H      2.73432392     -0.27824635     -0.89585551
+H      2.69809820     -0.12396478      0.93360921
+H      0.57174685     -0.90973487      1.22832589
+H     -0.70774578     -2.41544612     -0.25226455
+H     -0.36396651     -1.39388911     -1.66079878
+H     -2.21881364      1.23911157      0.69986539
+H     -0.16273816      2.32276645      0.57780477
+H      0.70337054      0.79317408     -1.28532181 
+
+15
+-1552.1405256838739 11.475028 11.5754 -8.4269 -6.4993 -8.944 0.6796 -0.2959 1.077 8.50551 -0.46155 4.5079821768 6.3703138898 0.401233013
+C      1.17366468      1.22452340     -0.17463773
+N     -0.21128291      1.54255745      0.15301534
+C     -1.34469419      0.75836714      0.00817309
+N     -1.55700234     -0.50336862     -0.03515005
+C     -0.56361340     -1.54278695      0.08507742
+C      0.91979039     -1.31537986      0.08645410
+C      1.63426859     -0.18721900     -0.01017767
+H      1.81206235      1.86844306      0.45441968
+H      1.38892893      1.52394542     -1.22171113
+H     -0.41660172      2.53507860      0.07008955
+H     -2.24206001      1.39556125     -0.02487125
+H     -0.77129285     -2.28255762     -0.71328668
+H     -0.80795536     -2.10164965      1.01124411
+H      1.48831487     -2.24941721      0.17077591
+H      2.72472296     -0.27597741     -0.01453471 
+
+15
+-1539.8628746480463 10.722617 11.14897 -8.0687 -6.0624 -8.851 1.0183 -0.129 0.8 8.3764 -0.19616 4.6772850598 11.8632036548 0.229504517
+C      0.91537815     -1.20755659      0.88407356
+C      1.15154138     -0.41668587     -0.36768556
+C      0.91797198      1.07818691     -0.37814111
+N     -0.23099274      1.42486324      0.47988581
+N     -1.43721222      0.78008592      0.24939302
+C     -1.36839577     -0.46802277     -0.08844676
+C     -0.11619461     -1.23980925     -0.25086304
+H      1.49829901     -2.11520031      1.03938583
+H      0.64087132     -0.66385591      1.78812581
+H      1.91366592     -0.77183053     -1.06531394
+H      1.79070978      1.62908813      0.00691564
+H      0.74650341      1.39388311     -1.42792301
+H     -0.41032336      2.42771310      0.48631771
+H     -2.32929917     -0.97346278     -0.21897207
+H     -0.18939309     -2.16993640     -0.81686190 
+
+15
+-1534.7400296549436 11.410746 11.52276 -8.1948 -6.2613 -9.007 0.9515 -0.1847 0.804 8.50648 -0.1752 4.4049622094 6.322790056 0.252367838
+C      1.05382785      1.16559209     -0.18489736
+N     -0.17132054      1.44926687      0.58359968
+N     -1.37292009      0.87123088      0.21972836
+C     -1.47097490     -0.39145132     -0.01473240
+C     -0.50565362     -1.54487284      0.10932022
+C      0.97969477     -1.34794602      0.09900417
+C      1.65475485     -0.19915113     -0.01095648
+H      1.78537809      1.92627933      0.12680712
+H      0.86584344      1.33143296     -1.26699401
+H     -0.33420759      2.45620810      0.58125892
+H     -2.49737299     -0.70119651     -0.24618793
+H     -0.76323158     -2.28868636     -0.66824459
+H     -0.77823676     -2.05956635      1.05414118
+H      1.55588646     -2.27413564      0.18728250
+H      2.74717262     -0.23820408     -0.02225939 
+
+18
+-1809.50890125319 11.608059 12.68884 -8.5398 -6.4828 -9.729 0.9462 0.0511 3.23 9.02464 -2.90354 7.7913918274 10.4664765676 0.135393672
+C      1.42049545     -0.22172391     -0.42047611
+C      2.82890004      0.05545149      0.05060501
+C      3.66931999     -1.04151107      0.67366353
+C      4.06151698     -0.46175237     -0.67207483
+C      5.10060048      0.65915685     -0.68217018
+C      4.26807098      1.90519140     -0.29328915
+N      3.10560194      1.42818901      0.48846768
+H      1.13132492      0.49037563     -1.20774023
+H      0.70232676     -0.11575373      0.40705366
+H      1.32897869     -1.24160925     -0.82167892
+H      3.25634379     -2.05283125      0.68985225
+H      4.29264597     -0.79014945      1.53608977
+H      3.95222058     -1.09578047     -1.55397691
+H      5.90754891      0.46797796      0.04443191
+H      5.56933482      0.76857254     -1.67175351
+H      4.83203320      2.65718988      0.27819641
+H      3.89858278      2.39925478     -1.20846357
+H      3.33286374      1.43471194      1.48524321 
+
+15
+-1539.9646890558574 10.705497 11.34561 -8.2017 -6.2204 -8.88 1.0056 -0.1139 0.766 8.42034 -0.16595 5.0478048222 10.990181033 0.145744934
+C      1.36658912      0.11002622      0.52062150
+C      2.70717203     -0.07774145     -0.13766616
+C      3.45077159      1.04244217     -0.80521451
+C      4.08011440      0.37439763      0.41619646
+C      4.91327390     -0.81495887      0.14595918
+N      4.29658194     -1.78842938     -0.45827948
+N      2.99183287     -1.38378880     -0.72310295
+H      1.28241287      1.12188768      0.93881215
+H      1.21441835     -0.61167633      1.33757875
+H      0.55212984     -0.01243381     -0.21014175
+H      3.06182061      2.04904790     -0.64798320
+H      3.90076320      0.85828112     -1.78201037
+H      4.21654812      0.95961547      1.32840845
+H      5.95971254     -0.93440324      0.42459707
+H      2.32877862     -2.13137631     -0.51689515 
+
+15
+-1556.3776911564391 10.656952 11.35665 -8.4283 -6.4435 -9.145 0.7824 -0.1375 0.917 8.5545 -0.30513 4.9539474202 9.915346399 0.215367248
+C      1.28800816      0.18816441      0.49007295
+C      2.65343756     -0.08546962     -0.07851891
+C      3.47975922      0.95359508     -0.79092532
+C      4.02632312      0.35809270      0.49524806
+N      4.92722403     -0.76205965      0.39076588
+C      4.25764677     -1.72006117     -0.16601480
+N      2.94381944     -1.44058471     -0.52430225
+H      1.23800300      1.21592718      0.87358889
+H      1.05504121     -0.49376885      1.32264825
+H      0.50336726      0.08570224     -0.27661412
+H      3.12572019      1.98332288     -0.72600585
+H      3.96764419      0.68122378     -1.72900410
+H      4.14923295      1.00559271      1.36652894
+H      4.68120932     -2.70043131     -0.39393923
+H      2.22974357     -2.16062566     -0.43148840 
+
+18
+-1815.9367323162498 11.45797 12.59205 -9.0636 -6.9887 -10.491 0.8935 -0.0212 2.953 9.94484 -2.60648 8.3052766016 12.3712362898 0.116401678
+C      1.40998150      0.45008836     -0.18899859
+C      2.78707785     -0.11595700      0.04929299
+C      2.95908971     -1.62938910      0.15339748
+C      4.47687203     -1.88141883      0.01486240
+C      5.00176036     -0.70369330     -0.83967424
+C      4.04356127      0.43754077     -0.54524964
+N      3.70119856      0.71767112      0.86890487
+H      1.45458835      1.54338814     -0.27547023
+H      0.73536048      0.20663081      0.64705594
+H      0.96859966      0.03938530     -1.11020741
+H      2.40860354     -2.10125187     -0.67837868
+H      2.54325753     -2.04029623      1.08780280
+H      4.95929519     -1.88274147      1.00436898
+H      4.70159046     -2.85801263     -0.43490781
+H      6.05173707     -0.45606704     -0.61659565
+H      4.94789712     -0.94445724     -1.91488022
+H      4.03744285      1.31450761     -1.19884265
+H      4.26712646      0.13098260      1.49257966 
+
+16
+-1672.0731277881414 11.292002 12.04106 -8.707 -6.6595 -8.959 1.3493 -0.1839 1.212 8.5116 -0.59066 5.8773207566 5.8773207566 0.229978002
+C      1.35559396      0.43125632     -0.42127877
+C      2.65655042     -0.09129624      0.13344897
+C      2.83987479     -1.60475406      0.31030633
+C      4.32606973     -1.82482549      0.14242585
+C      4.95888942     -0.68382213     -0.18864764
+C      4.01274776      0.46830657     -0.20700662
+N      3.35202797      0.79061938      1.09387793
+H      1.39435170      1.52344869     -0.52252635
+H      0.51778182      0.18575847      0.25025920
+H      1.14217408     -0.00897408     -1.40698651
+H      2.26698956     -2.15927296     -0.45447370
+H      2.46499699     -1.95487744      1.28790169
+H      4.80675084     -2.79069598      0.30389429
+H      6.02809768     -0.58496671     -0.38096315
+H      4.16327446      1.32138759     -0.87280290
+H      3.80333880      0.22726807      1.82597139 
+
+18
+-1805.997201699414 11.527461 12.66351 -8.705 -6.6896 -10.216 0.9066 -0.007 2.951 9.54446 -2.61066 8.1844150488 11.3887092328 0.125206048
+C      1.03656941     -0.11102308     -0.01643374
+C      2.52936142      0.09158378     -0.05233942
+C      3.46504678     -0.54085918     -1.12356557
+C      4.48930731     -0.32568970      0.01560609
+C      4.60081999      1.20635592      0.10301692
+C      3.07604759      1.53403894      0.04831440
+N      3.38338909     -0.57078979      1.03393664
+H      0.61651375      0.29941968      0.91419873
+H      0.76998201     -1.17712909     -0.07276438
+H      0.55573581      0.40253157     -0.86258676
+H      3.60789172     -0.02617401     -2.08977601
+H      3.23862530     -1.60554892     -1.28265150
+H      5.40841114     -0.91772448      0.11183252
+H      5.06608863      1.52021971      1.04639292
+H      5.16905371      1.63352971     -0.73525925
+H      2.79110708      2.14265387     -0.82202310
+H      2.71573453      2.02684694      0.96148529
+H      3.16762475     -1.57783187      0.98347622 
+
+18
+-1806.7223230963277 11.500431 12.62937 -8.6229 -6.6 -10.23 0.9503 0.0593 2.902 9.63354 -2.56394 8.1398544804 11.314280437 0.146008397
+C      1.31842365     -0.17390227     -0.38126604
+C      2.72534693      0.09124709      0.09858852
+C      3.59218383     -1.01050075      0.60074465
+N      3.84336334     -0.44002423     -0.74151083
+C      4.91340453      0.59409101     -0.74674673
+C      4.23517133      1.92452643     -0.37363888
+C      3.08659864      1.50841775      0.56836809
+H      1.02431937      0.55454200     -1.15305247
+H      0.59973836     -0.09828264      0.44939619
+H      1.24153312     -1.17943965     -0.81563747
+H      3.22975374     -2.04311343      0.60086555
+H      4.30577740     -0.77464184      1.39852583
+H      5.71071467      0.33216821     -0.03006815
+H      5.36649828      0.62758736     -1.74821711
+H      4.93026712      2.64806501      0.07641165
+H      3.81641024      2.38802408     -1.28041510
+H      3.41036255      1.50982180      1.62072652
+H      2.22351290      2.18463409      0.49172579 
+
+18
+-1805.722250295101 11.532185 12.67686 -8.5129 -6.4348 -10.042 0.9144 0.0087 2.945 9.35549 -2.66395 8.0518492176 10.1228741658 0.107168747
+C      1.03434979     -0.04551838     -0.04509300
+C      2.53954410      0.03433615     -0.01025410
+C      3.47037962     -0.57595656     -1.11052450
+C      4.54439196     -0.36796495     -0.00294079
+C      3.42107115     -0.74291005      1.01013718
+C      4.54651586      1.16270528      0.13243939
+N      3.06517645      1.42011855      0.18142340
+H      0.60753716      0.38046353      0.87444533
+H      0.69799730     -1.08724879     -0.14038975
+H      0.62828273      0.51892002     -0.89961251
+H      3.57947019     -0.02039245     -2.05592634
+H      3.26832464     -1.63854355     -1.30516463
+H      5.51572099     -0.87735412     -0.01915761
+H      3.20149978     -1.81836138      1.01767587
+H      3.47914076     -0.33788924      2.03062977
+H      5.03337001      1.50573834      1.05913116
+H      5.03302511      1.65964635     -0.72200624
+H      2.79397239      1.98683125     -0.62822263 
+
+16
+-1650.180992248432 11.2719 12.16766 -8.4122 -6.381 -8.413 1.3732 -0.2533 1.242 7.99264 -0.57868 5.2384580944 5.2384580944 0.165848891
+C      0.95383905      0.02339210     -0.61753513
+C      2.18280003     -0.08251837      0.25056234
+C      2.59682287     -1.38604926      1.03008109
+C      3.96463031     -0.63197323      0.97014827
+N      3.54180756     -0.21626259     -0.41977782
+C      3.64373567      0.60604164      1.83592545
+C      2.44637479      0.97741696      1.35271722
+H      0.04066826     -0.01901996     -0.00575152
+H      0.92481656     -0.79802951     -1.34588118
+H      0.94449016      0.97386328     -1.17224470
+H      2.57178627     -2.28222607      0.39480755
+H      2.14897191     -1.55283066      2.01707324
+H      4.93183505     -1.13606039      1.08550409
+H      3.92473444      0.71175210     -0.65325092
+H      4.23923159      1.01770494      2.64834172
+H      1.77807546      1.78182902      1.65556029 
+
+18
+-1808.645560540805 11.59306 12.61475 -8.5237 -6.4476 -9.732 0.9398 0.051 2.981 9.04311 -2.63483 7.8970898924 11.624431416 0.115630061
+C      1.35641120     -0.27062855     -0.37153373
+C      2.77115851      0.05422966      0.04874826
+C      3.65999765     -1.03576757      0.61182974
+C      3.98311245     -0.41937298     -0.73633290
+N      4.97776275      0.64115706     -0.79766766
+C      4.28797134      1.88899898     -0.39918327
+C      3.10046103      1.48450376      0.50587421
+H      0.99769933      0.43478258     -1.13774459
+H      0.66451994     -0.21865971      0.48380073
+H      1.28869672     -1.28497240     -0.79030845
+H      3.26505181     -2.05473241      0.62155394
+H      4.31592004     -0.79132671      1.45150330
+H      3.85430673     -1.02842718     -1.63606622
+H      5.74457908      0.44288816     -0.15134478
+H      4.99451190      2.58432970      0.07778084
+H      3.90393237      2.38445230     -1.30785640
+H      3.37409798      1.51382941      1.57322747
+H      2.23455917      2.15085590      0.36969950 
+
+18
+-1797.3714710371053 11.441588 12.57866 -8.6268 -6.6268 -10.449 0.8731 -0.0314 2.835 9.77193 -2.49425 8.4659376604 10.5179059604 0.121655855
+C      0.96876971     -0.08898384     -0.05434631
+C      2.47153408      0.07346827     -0.01288097
+C      3.44079639     -0.53276276     -1.06692462
+N      4.52824049     -0.40022521     -0.00920623
+C      3.40126991     -0.68868737      0.97340191
+C      4.57128096      1.09492140      0.10602233
+C      3.05867073      1.49514788      0.10693133
+H      0.50106476      0.31539880      0.85664891
+H      0.68243143     -1.14812892     -0.13837426
+H      0.53563686      0.44652958     -0.91328143
+H      3.62957354      0.01704778     -2.00258282
+H      3.25365607     -1.59582155     -1.27561521
+H      3.20924984     -1.77055027      1.01062314
+H      3.55238537     -0.28816637      1.98835634
+H      5.09459143      1.37244685      1.03162399
+H      5.12958577      1.50848440     -0.74537442
+H      2.77791746      2.13305566     -0.74484790
+H      2.74311522      1.99762567      1.03385622 
+
+15
+-1531.951878195455 10.609456 11.2439 -8.9011 -6.8803 -9.876 1.2903 -0.4135 0.705 9.49644 -0.07772 4.9743679144 11.1878271156 0.237957771
+C      1.08797215      0.17779393      0.48067329
+C      2.48020753     -0.13017180     -0.00753491
+C      3.35327582      0.94519178     -0.56131581
+N      3.63300850      0.42519508      0.80508753
+N      4.70110200     -0.54581571      0.73447286
+C      4.27579809     -1.61155501      0.15546215
+C      2.85465443     -1.56577773     -0.34800102
+H      1.03375849      1.19898580      0.88003944
+H      0.79368832     -0.51760507      1.28117357
+H      0.35586545      0.08947131     -0.33636493
+H      2.98131773      1.97211669     -0.58746264
+H      4.08532832      0.68846183     -1.33111298
+H      4.94583735     -2.46887417      0.04621502
+H      2.79009645     -1.81859867     -1.41855506
+H      2.21073938     -2.28420825      0.18985348 
+
+18
+-1808.0298098153983 11.611413 12.68515 -8.3776 -6.2077 -9.712 0.9574 0.0664 3.07 9.09869 -2.69685 7.840688661 11.7828111324 0.142966253
+C      1.41228862     -0.20511403     -0.43260580
+C      2.81227483      0.08088656      0.05866515
+C      3.66516244     -1.02817251      0.63294901
+C      4.05272262     -0.38750243     -0.68207290
+C      5.07930353      0.73442552     -0.63422713
+N      4.31580139      1.92283686     -0.19541283
+C      3.13371302      1.48627838      0.57511473
+H      1.11282592      0.51511242     -1.20985853
+H      0.67951178     -0.14191186      0.38754555
+H      1.34168966     -1.21543733     -0.86109639
+H      3.26119467     -2.04194521      0.60080142
+H      4.28327928     -0.81066250      1.50827101
+H      3.95558122     -0.97410697     -1.59714365
+H      5.91461522      0.47287874      0.04738202
+H      5.51422835      0.91436605     -1.63122700
+H      4.89725754      2.57148526      0.33713376
+H      3.30167879      1.46874830      1.67176612
+H      2.28862113      2.16911474      0.38394547 
+
+18
+-1804.5527747782917 11.507446 12.61479 -8.5279 -6.4281 -10.098 0.9003 0.0045 2.855 9.39427 -2.54059 8.2069805008 10.5223446592 0.103704352
+C      1.00066765     -0.08561554     -0.05558330
+C      2.50496404      0.04344710     -0.00286184
+C      3.45443882     -0.56155076     -1.09278897
+C      4.51314776     -0.33614964      0.01327559
+C      3.39874695     -0.72420649      1.02778173
+N      4.57227814      1.14998526      0.05686654
+C      3.10212169      1.46125129      0.10662988
+H      0.53484437      0.31814960      0.85712739
+H      0.69274800     -1.13688257     -0.15429041
+H      0.58735443      0.46804849     -0.91329662
+H      3.58693267     -0.01055035     -2.03509095
+H      3.24759981     -1.62427710     -1.27584249
+H      5.50244117     -0.80919825     -0.00603021
+H      3.17681486     -1.80084146      1.04371066
+H      3.47172490     -0.32647762      2.05297288
+H      5.00855578      1.44020044      0.93646553
+H      2.80710039      2.10237468     -0.74059584
+H      2.80560857      1.96334292      1.04230043 
+
+17
+-1684.0614128811897 10.978655 11.92225 -8.8185 -6.6914 -9.887 0.8754 -0.1019 2.915 9.32315 -2.56845 7.893134739 10.6981444086 0.108569937
+C      1.43244864      0.29370261     -0.27457168
+C      2.82782630     -0.15941230      0.06824551
+C      3.08577108     -1.64343359      0.35122092
+N      4.53961891     -1.86546744      0.23997598
+C      5.05360876     -0.81344449     -0.66126585
+C      4.08102285      0.35564503     -0.55856009
+N      3.68900932      0.80071480      0.79660064
+H      1.42057398      1.36780321     -0.49933852
+H      0.74468571      0.11945225      0.56771135
+H      1.04424956     -0.25385707     -1.14712059
+H      2.55406053     -2.24249391     -0.41108414
+H      2.72101407     -1.97139590      1.33751600
+H      4.97654400     -1.77897404      1.15756773
+H      6.09014327     -0.55633618     -0.39333947
+H      5.06470381     -1.17915137     -1.70431136
+H      4.07832031      1.12943108     -1.33081517
+H      4.25646890      0.30263729      1.49608874 
+
+15
+-1547.4680244137949 10.47448 11.25783 -9.1139 -7.1208 -9.935 1.2767 -0.3104 0.862 9.45412 -0.24726 4.866822458 6.357072185 0.152299644
+C      1.20930341      0.14340178      0.56882525
+C      2.55849673     -0.13137047     -0.04384155
+C      3.35612339      0.95723687     -0.66935373
+N      3.76949826      0.40788586      0.66311428
+C      4.71946534     -0.64871216      0.47159460
+N      4.35047972     -1.73711977     -0.09489257
+C      2.92676051     -1.56614046     -0.44421754
+H      1.15057282      1.17278710      0.94608432
+H      1.01767309     -0.54200548      1.40775989
+H      0.41077498      0.00423851     -0.17547139
+H      2.98469525      1.98393221     -0.63222623
+H      3.99672370      0.71621438     -1.52247207
+H      5.73523165     -0.49161038      0.84483790
+H      2.77786784     -1.78617775     -1.51296562
+H      2.32579330     -2.29687025      0.12338446 
+
+18
+-1804.2716969175137 11.464414 12.57768 -8.9402 -6.908 -10.287 0.9448 0.0552 3.085 9.50696 -2.80848 8.3164973346 11.8525408588 0.190595021
+C      1.04339925      0.00228632      0.06065691
+C      2.56044348     -0.00236394     -0.03466921
+C      3.19007246     -0.97247140     -1.08182910
+C      4.70541195     -0.77135274     -0.84911795
+C      4.71312415      0.79294621     -0.80342297
+C      3.19987471      1.02220206     -1.02275940
+N      2.82573029      0.05817752     -2.11716536
+H      0.69130828      0.86532641      0.64602488
+H      0.68038544     -0.90720881      0.56325832
+H      0.59147488      0.05105049     -0.93831180
+H      3.02461916     -0.03472516      0.96420158
+H      2.81713541     -1.99537744     -1.23138854
+H      5.05808383     -1.23112957      0.08652558
+H      5.30555741     -1.18043677     -1.67519691
+H      5.31670670      1.24345490     -1.60512439
+H      5.07097691      1.19416443      0.15684731
+H      2.83689207      2.05568547     -1.11169596
+H      3.48976364      0.07822204     -2.90333300 
+
+18
+-1804.6779006345118 11.368593 12.36759 -8.5002 -6.4722 -10.147 0.8936 -0.0188 3.04 9.52486 -2.77668 8.1102714208 11.4680478742 0.148809353
+C      0.77056546      0.00509052     -0.27138448
+C      2.22951996     -0.12250389      0.10555094
+C      3.22050094     -1.00623204     -0.57968606
+C      2.90079595     -1.57989450     -1.95291943
+C      2.58565124     -0.35841321     -2.85221003
+C      3.07100530      0.87310094     -2.04228699
+N      3.36545295      0.47172788     -0.64922974
+H      0.43513365      1.05093338     -0.19059845
+H      0.16371236     -0.58372397      0.43261090
+H      0.53479462     -0.34959935     -1.28182187
+H      2.39060785      0.01183009      1.18172233
+H      3.96704158     -1.53275775      0.02281855
+H      3.78112425     -2.12540246     -2.32365697
+H      2.06757742     -2.29923908     -1.92525605
+H      3.10191220     -0.42879196     -3.82049693
+H      1.51164335     -0.29191813     -3.07289793
+H      4.01117699      1.26743927     -2.45739079
+H      2.34184391      1.69808425     -2.05278699 
+
+16
+-1663.8836621710586 11.183579 11.82217 -8.3409 -6.3011 -8.724 1.3809 -0.0687 1.309 8.32151 -0.6841 5.7469246804 5.7469246804 0.226811441
+C      1.12302140      0.04832087     -0.46891846
+C      2.38646757     -0.19229858      0.31662190
+C      3.56485556     -0.98879751     -0.17787778
+C      3.66877890     -1.22739990     -1.63941125
+C      3.77469040     -0.06149820     -2.29635089
+C      3.78902235      1.08888994     -1.31932930
+N      3.67237394      0.49198821      0.03973777
+H      0.74212650      1.06443238     -0.28043819
+H      0.34531094     -0.65880925     -0.14504072
+H      1.26345629     -0.07266488     -1.55091314
+H      2.21853867     -0.24857206      1.39837955
+H      4.10486221     -1.63882026      0.51764445
+H      3.64993112     -2.21932477     -2.09100861
+H      3.81925033      0.06290907     -3.37948420
+H      4.72893721      1.66531479     -1.37262236
+H      2.96905662      1.80787016     -1.49707879 
+
+18
+-1795.1295411878632 11.443292 12.58921 -8.6304 -6.6516 -10.438 0.9408 0.0715 3.043 9.74812 -2.74798 8.5129531516 10.8795359266 0.096539742
+C      1.05545032     -0.01167990      0.05068552
+C      2.56408096      0.03235627     -0.10460041
+C      3.20614513      1.10388340     -1.03547670
+C      2.88599160      0.08720024     -2.15545882
+N      3.13227535     -0.99091154     -1.10381663
+C      4.59344671     -0.75605650     -0.87018491
+C      4.69848833      0.81192581     -0.80865804
+H      0.72635458      0.79477671      0.72268919
+H      0.75156008     -0.96984827      0.49563266
+H      0.51613597      0.10319147     -0.89877331
+H      3.03335712     -0.06460002      0.89012537
+H      2.88420179      2.15526298     -1.05588946
+H      3.55400033      0.03794314     -3.02884076
+H      1.84173196      0.07072237     -2.48624485
+H      4.89634855     -1.24558459      0.06577382
+H      5.17113934     -1.19518343     -1.69521190
+H      5.33876740      1.23293089     -1.59720292
+H      5.05669446      1.17930097      0.16414215 
+
+18
+-1805.8212497971354 11.51093 12.5716 -8.124 -6.0568 -9.514 0.8994 -0.02 3.2 8.923 -2.91222 7.6955754466 11.5916247204 0.164045014
+C      0.77642200      0.07447590     -0.05505882
+C      2.26836980      0.03462820      0.17036545
+C      3.21096039     -0.87707767     -0.61120842
+C      2.74280298     -1.49147657     -1.93351427
+C      2.96758310     -0.36641990     -2.96338061
+N      2.73755911      0.86651169     -2.17856359
+C      3.25054663      0.61952010     -0.83267578
+H      0.33262806      0.92351842      0.48631907
+H      0.28486237     -0.84394533      0.30114461
+H      0.54424435      0.21071216     -1.12014139
+H      2.57359615      0.16301571      1.21373960
+H      4.00658594     -1.37947221     -0.05962696
+H      3.32440711     -2.38908320     -2.18397884
+H      1.68195617     -1.78479355     -1.89636060
+H      4.00145345     -0.43141266     -3.36215874
+H      2.26992209     -0.41965969     -3.81404969
+H      3.18254484      1.68118831     -2.59873441
+H      4.08423544      1.23384027     -0.48190662 
+
+15
+-1532.207262139145 10.740706 11.45209 -8.8814 -6.8423 -9.792 1.3822 -0.3703 0.717 9.43314 -0.08864 4.9719377888 11.689276094 0.205473855
+C      0.97823331      0.01305199      0.55464778
+C      2.31901246      0.04975500     -0.13010871
+C      2.60101738      0.98624190     -1.25490185
+C      4.03778993      1.29124273     -1.62835128
+C      4.55130297     -0.11144089     -1.86564601
+N      3.68101132     -1.05223080     -1.77266093
+N      2.37661776     -0.49027821     -1.51995797
+H      0.95012838      0.73543009      1.38401677
+H      0.77729353     -0.98788095      0.96254704
+H      0.17344626      0.26113173     -0.14991621
+H      3.18001378     -0.23033692      0.48694396
+H      1.80147543      1.63979673     -1.60880351
+H      4.61848644      1.80875128     -0.84740226
+H      4.10352634      1.90831886     -2.54029851
+H      5.59293471     -0.36099253     -2.08432830 
+
+18
+-1800.5472331218136 11.444912 12.5449 -8.4688 -6.3643 -10.054 0.9065 0.0213 2.956 9.37958 -2.69395 8.1616512192 10.9662393364 0.111619972
+C      1.02243324      0.00780789      0.07491912
+C      2.53975836      0.00682376     -0.05363770
+C      3.19078526      1.05613393     -1.02172513
+C      2.87859603      0.05646878     -2.17964089
+C      3.21301143     -0.97458304     -1.07339043
+N      4.67258430     -0.74155038     -0.90498865
+C      4.68346670      0.76601941     -0.80452980
+H      0.68441905      0.86264351      0.68061851
+H      0.67476896     -0.90768315      0.57780637
+H      0.50674557      0.06753055     -0.89329176
+H      2.99330253     -0.02483541      0.95399190
+H      2.87604719      2.10771384     -1.04689119
+H      3.53594975      0.06479121     -3.05983829
+H      1.82636350      0.05408178     -2.48142655
+H      2.94980426     -2.03793363     -1.14798720
+H      4.97053086     -1.13721481     -0.00857031
+H      5.32269931      1.20270699     -1.58799422
+H      5.04133367      1.11854878      0.17595620 
+
+18
+-1808.3761784846074 11.494104 12.52523 -8.468 -6.3059 -9.725 0.8741 -0.0529 3.221 9.09006 -2.95845 7.8913121448 10.6937801014 0.14753332
+C      0.70673740      0.00116017     -0.07906562
+C      2.20269800      0.01865924      0.15788182
+C      3.21329523     -0.84484526     -0.57472549
+C      2.84887229     -1.44659169     -1.92098066
+N      2.25667400     -0.32886681     -2.68182477
+C      2.86826625      0.92959446     -2.21163894
+C      3.22532164      0.66423395     -0.75933972
+H      0.25086569      0.94233145      0.26543856
+H      0.23665409     -0.81827327      0.48655859
+H      0.47077669     -0.13037421     -1.14285419
+H      2.46701595      0.14584665      1.21296238
+H      3.98779259     -1.34916487      0.00541217
+H      3.77338274     -1.85739062     -2.37788510
+H      2.11975097     -2.27241573     -1.84652821
+H      2.36409096     -0.45285095     -3.68816882
+H      3.79846573      1.20319987     -2.75216966
+H      2.15267250      1.76064551     -2.33998677
+H      4.00862730      1.28126213     -0.31610558 
+
+15
+-1545.2686595952664 10.375715 11.04942 -8.9623 -6.9544 -9.826 1.3832 -0.2868 0.85 9.36691 -0.23997 4.840351447 12.0309071184 0.207607171
+C      1.08701704     -0.08090836     -0.33120561
+C      2.40402580      0.15433574      0.36364135
+C      3.51664841      0.95199781     -0.22203976
+C      3.54535687      1.20562597     -1.72874750
+N      3.61196783     -0.13041298     -2.36039635
+C      3.65366887     -0.98212988     -1.40309140
+N      3.68736502     -0.53018472     -0.04755483
+H      0.39785413      0.74146229     -0.08672105
+H      0.62441036     -1.01574638      0.01738805
+H      1.18094070     -0.13219428     -1.42352150
+H      2.32919600      0.17833098      1.45537078
+H      4.12928035      1.57341941      0.43501277
+H      4.43176158      1.79052457     -2.01966607
+H      2.66448832      1.74655198     -2.11394166
+H      3.70087872     -2.06045214     -1.57818723 
+
+16
+-1643.7506565554634 11.175624 11.95905 -8.7332 -6.7008 -8.535 1.4357 -0.1864 1.326 8.04397 -0.65806 5.4753705432 11.2965256418 0.209055881
+C      0.87156984     -0.14756676     -0.08440188
+C      2.32768158      0.20562360      0.16538378
+C      3.52801735     -0.64690392     -0.39217443
+N      4.42027493      0.59316354     -0.25972483
+C      3.11325785      1.27343084     -0.68436019
+C      2.99545780      0.69958650     -2.10106881
+C      3.27582444     -0.59855824     -1.90351428
+H      0.21231236      0.67110985      0.24172304
+H      0.58709119     -1.04511005      0.48550312
+H      0.68091334     -0.34075890     -1.14899786
+H      2.48973870      0.40384281      1.23987939
+H      3.86884241     -1.58370845      0.06633223
+H      4.51868157      0.76877249      0.75474738
+H      3.01801928      2.35604392     -0.53322819
+H      2.75981717      1.24532098     -3.01099427
+H      3.33690020     -1.42716819     -2.60421419 
+
+15
+-1554.6953174815608 10.728628 11.46646 -8.379 -6.3673 -9.082 0.8119 -0.0701 0.912 8.53968 -0.30422 4.9494839242 12.1367911624 0.208249974
+C      1.03643314     -0.02316712      0.62413727
+C      2.42946232      0.01991262      0.04081442
+C      2.65948341      0.79800317     -1.22587446
+N      4.03962449      1.15252029     -1.48431950
+C      4.73406805     -0.04111515     -1.66603847
+N      4.05935364     -1.13710534     -1.53064776
+C      2.70164312     -0.75831691     -1.23414833
+H      0.84227621      0.85414377      1.26000925
+H      0.89108152     -0.92636822      1.23571580
+H      0.27211058     -0.03473931     -0.16760424
+H      3.25299300      0.03896500      0.76199194
+H      1.88067924      1.42110322     -1.66818245
+H      4.25592043      1.95494491     -2.07098665
+H      5.80514824     -0.01305121     -1.87595769
+H      1.91290262     -1.40018970     -1.63449912 
+
+15
+-1538.205879473049 10.776071 11.46388 -8.1772 -6.1802 -8.866 1.4897 -0.026 0.752 8.42464 -0.15559 5.0224496852 10.5652066194 0.138210915
+C      0.95358507     -0.00718946      0.56178201
+C      2.38838445     -0.01047235      0.08987544
+C      2.75744056      0.77733686     -1.13093316
+N      4.16211928      1.12222554     -1.24935326
+N      4.93659036     -0.01601990     -1.47610450
+C      4.16259893     -1.05978301     -1.42119365
+C      2.73149585     -0.76976287     -1.19073765
+H      0.75669543      0.85060181      1.22276232
+H      0.71425985     -0.92558836      1.11889061
+H      0.25452127      0.05737461     -0.28560827
+H      3.14990655     -0.04193772      0.87440483
+H      2.02764920      1.42674180     -1.61929568
+H      4.40794294      1.86352230     -1.90346722
+H      4.59314970     -2.05042900     -1.56218847
+H      1.95284056     -1.36406025     -1.67561335 
+
+18
+-1789.0112002563956 11.771164 13.37088 -9.3555 -7.2234 -10.931 0.9417 0.029 3.047 10.2928 -2.65088 8.806849566 11.0290754412 0.226168803
+C      1.13597155     -0.11631169      0.10168805
+C      2.62442419     -0.08563953     -0.16015035
+C      3.18912902     -0.54400939     -1.48455412
+C      3.22664733      0.92157717     -1.11937250
+C      4.49682062      1.63788545     -0.78014357
+C      5.81815648      0.97149084     -0.61629352
+N      5.53293426      1.75719820     -1.83698700
+H      0.84864933      0.60453129      0.88270663
+H      0.80795877     -1.11485017      0.42928953
+H      0.57150063      0.13583895     -0.80872356
+H      3.25047690     -0.31350822      0.70820667
+H      2.48388779     -0.84251975     -2.26207920
+H      4.12254611     -1.10750509     -1.48902561
+H      2.50239090      1.54898181     -1.64964529
+H      4.34599346      2.52251985     -0.14860449
+H      5.91799353     -0.10322923     -0.78653664
+H      6.50115311      1.37881338      0.13382751
+H      5.98827602      2.67310614     -1.76838255 
+
+18
+-1789.3116850398126 11.72135 13.07527 -9.1023 -7.0053 -10.48 0.9314 -0.0031 2.863 10.17792 -2.45644 8.2880797434 10.6158425018 0.286627655
+C      0.79318557      0.01820398     -0.50586129
+C      2.23542636      0.02487412     -0.03904881
+C      3.24993012     -0.76606011     -0.84227111
+C      3.26237997      0.74620957     -0.88777131
+C      2.46383983      0.06478902      1.44939285
+C      1.54739606      0.72717929      2.41948786
+N      1.57389609     -0.74992976      2.30788201
+H      0.73979139     -0.14456682     -1.59102396
+H      0.29474970      0.97566851     -0.28957564
+H      0.23224787     -0.78429440     -0.00596681
+H      2.89200311     -1.30504487     -1.72052092
+H      4.05513487     -1.26686205     -0.30185374
+H      4.07743317      1.26566504     -0.38017546
+H      2.91105379      1.23757621     -1.79635643
+H      3.52603575      0.08694529      1.72353442
+H      0.62031138      1.18721460      2.07039415
+H      1.99206182      1.20304912      3.29755489
+H      2.10855315     -1.15081675      3.08395930 
+
+20
+-1939.6907541799822 12.522387 14.23218 -9.2369 -6.9079 -10.617 0.9502 0.0116 3.153 10.63876 -2.83449 8.7593753266 11.3456984894 0.224276133
+C      0.91053106     -0.14259001     -0.05834157
+C      2.41977262     -0.22033357     -0.09776852
+C      3.13244741     -0.64279200     -1.36384505
+C      3.23242763      0.78815360     -0.87998055
+C      4.53895438      1.32945745     -0.34094577
+C      4.35160934      2.51736416      0.60590411
+N      5.65514544      3.04650383      1.03951921
+H      0.56285985      0.55060407      0.72345926
+H      0.46190369     -1.12804642      0.14189760
+H      0.51074824      0.21355085     -1.01998449
+H      2.88515598     -0.56323875      0.83231501
+H      2.52154333     -0.84592347     -2.24546732
+H      4.02068191     -1.27112608     -1.27452050
+H      2.64179915      1.51374402     -1.45035713
+H      5.19780092      1.64152999     -1.16866732
+H      5.07253634      0.52098915      0.19192095
+H      3.68650112      2.20967475      1.43911114
+H      3.82778263      3.32511395      0.06749339
+H      6.13605267      2.34681789      1.61225602
+H      5.51744632      3.85873659      1.64539155 
+
+20
+-1940.2942638076756 12.407224 13.8146 -9.1829 -6.9153 -10.574 0.8838 -0.0488 3.023 10.35509 -2.66427 8.5917586532 11.058435326 0.218992321
+C      1.08246565     -0.00802527     -0.07304578
+C      2.59096278      0.09982565     -0.11817690
+C      3.39676169     -0.55272592     -1.22346063
+C      3.33208906      0.96312874     -1.12372043
+C      2.56833705      1.74147963     -2.17900705
+C      4.58597716      1.66180512     -0.61643747
+N      5.55751655      1.86974027     -1.70317935
+H      0.63469542      0.83433419      0.47716462
+H      0.77567378     -0.93651662      0.43242630
+H      0.63923085     -0.02194533     -1.07806287
+H      3.06173958      0.06195887      0.87000701
+H      2.84128522     -1.02699515     -2.03559512
+H      4.32704091     -1.05992058     -0.95731221
+H      1.75523201      1.15318629     -2.62348975
+H      3.25341776      2.04401071     -2.98336947
+H      2.12905856      2.65726705     -1.75040747
+H      4.98838074      1.08168330      0.23991566
+H      4.31025588      2.65667344     -0.22438739
+H      5.91081684      0.96314688     -2.02170602
+H      6.36588252      2.38970873     -1.35559566 
+
+16
+-1677.823150107935 11.291513 13.01034 -10.5245 -8.3504 -11.296 0.7914 -0.1815 1.469 10.98764 -1.08344 5.3825918194 11.0173711628 0.316288369
+C      1.01327982     -0.05502624      0.02401721
+C      2.52287264     -0.04394049     -0.05381530
+C      3.23881364     -0.63551997     -1.24850765
+C      3.23417364      0.85982472     -1.03315400
+C      4.51195269      1.57124895     -0.61442241
+C      5.38117535      1.89133757     -1.74738202
+N      6.06378814      2.14555542     -2.65843115
+H      0.63736760      0.74646027      0.67768833
+H      0.64474538     -1.01338753      0.41963799
+H      0.56631143      0.08682696     -0.97109421
+H      3.03141637     -0.17973394      0.90605146
+H      2.63168854     -1.03204635     -2.06348047
+H      4.17499607     -1.17062137     -1.08112064
+H      2.59718752      1.44307164     -1.70284929
+H      5.08431287      0.94363407      0.08774192
+H      4.28167830      2.51010631     -0.08431975 
+
+17
+-1665.240308120707 12.458301 13.14786 -8.2616 -6.2414 -9.045 1.3196 -0.1155 0.799 8.62456 -0.18882 4.8992076012 5.5399176548 0.191853992
+C      1.08214256      0.05990874      0.05697616
+C      2.58678463     -0.00720100     -0.05238571
+C      3.24888388     -0.76800447     -1.16825710
+C      3.31463082      0.74351261     -1.17310466
+C      4.58222362      1.45171350     -0.89285542
+N      5.65484854      0.82790178     -0.55402577
+N      6.74526097      1.58020807     -0.16356606
+H      0.75558569      0.95705789      0.60492238
+H      0.68429619     -0.81995967      0.58646599
+H      0.61462223      0.08566325     -0.93909292
+H      3.13215686     -0.00996568      0.89538775
+H      2.60571565     -1.23934813     -1.91355712
+H      4.18296949     -1.28688612     -0.95446803
+H      2.65637674      1.26245200     -1.87526486
+H      4.55967269      2.55766414     -0.94692027
+H      7.60221194      1.07262562     -0.37718045
+H      6.77043750      2.52926747     -0.56117390 
+
+17
+-1694.2762202117315 11.697915 12.69579 -8.8688 -6.9 -9.822 0.7869 -0.1287 1.065 9.04969 -0.44227 4.895897175 11.5683525482 0.232503288
+C      0.99665623      0.00852632     -0.04328524
+C      2.50214444     -0.11700939     -0.02923483
+C      3.24987505     -0.69271991     -1.20177775
+C      3.36613536      0.78304060     -0.90987668
+C      4.62039413      1.38628316     -0.34666119
+N      4.50456708      2.74934815     -0.09827562
+N      5.74309791      0.80055878     -0.10518982
+H      0.65139710      0.80228355      0.63644151
+H      0.51941019     -0.93189811      0.27198696
+H      0.62893860      0.24597635     -1.05251876
+H      2.94443823     -0.33855331      0.94619823
+H      2.68042890     -0.97719329     -2.08786998
+H      4.11291258     -1.32899664     -0.99671454
+H      2.81012197      1.44645150     -1.57854090
+H      3.58116076      3.09103214      0.15266472
+H      5.26397997      3.12589652      0.46589624
+H      5.71990149     -0.16706640     -0.44492235 
+
+18
+-1783.7782188696738 12.010742 13.47418 -8.9185 -6.8851 -10.38 1.0006 0.1473 3.426 9.72579 -3.29022 8.6617735474 10.9131485312 0.298480141
+C      1.08430622      0.33825702     -0.30925275
+C      2.54381171      0.02079042     -0.07800365
+C      3.21441231     -1.12408280     -0.81096929
+C      3.57385656      0.30480346     -1.14231379
+N      4.87145847      0.77818505     -0.72050372
+C      5.83791867      1.01980245     -1.80025860
+C      5.19110279      2.16370055     -1.09103360
+H      0.85406186      1.38293577     -0.04833784
+H      0.43410690     -0.31112009      0.29722905
+H      0.80760453      0.18843935     -1.36395030
+H      2.90824695      0.18293991      0.93969478
+H      2.62560626     -1.68478398     -1.53910624
+H      3.96524025     -1.70148046     -0.27115424
+H      3.19557625      0.70233835     -2.09834252
+H      5.51219899      0.82332556     -2.82714341
+H      6.87192297      0.74543641     -1.57885980
+H      5.74613720      2.73611751     -0.34422936
+H      4.43496110      2.72915551     -1.64590472 
+
+18
+-1782.2224568463505 11.768308 12.96837 -8.7742 -6.779 -10.179 0.98 0.0958 3.247 9.43375 -3.35101 8.3026480984 10.9022873576 0.481220864
+C      0.73731675     -0.05318581     -0.55892540
+C      2.17701022     -0.00751132     -0.07976701
+C      3.21918468     -0.74649480     -0.88900738
+C      3.17717253      0.76805160     -0.90791198
+N      2.48198908      0.01800922      1.34604466
+C      1.60109359      0.74263832      2.26542962
+C      1.65600626     -0.75269981      2.27880814
+H      0.71122388     -0.07339539     -1.65667829
+H      0.16607656      0.83112635     -0.23778550
+H      0.21086643     -0.95336570     -0.20654289
+H      2.88833291     -1.28648147     -1.77734516
+H      4.02838086     -1.21557643     -0.32959102
+H      3.95880954      1.29427913     -0.36029370
+H      2.81871324      1.26658748     -1.80959145
+H      0.68360046      1.19537237      1.87828436
+H      2.11050388      1.32400497      3.03799209
+H      2.20608488     -1.28131671      3.06101087
+H      0.77445424     -1.27781198      1.89958004 
+
+20
+-1925.6849864571047 12.517357 13.92941 -7.8625 -5.8953 -9.263 0.9339 0.0521 3.326 8.54061 -3.03301 7.2439316444 12.40851888 0.159358363
+C      1.06620556     -0.04333973      0.05676664
+C      2.56448733     -0.14422806     -0.12800186
+C      3.15869026     -0.63666044     -1.43831867
+C      3.28259842      0.82730009     -1.01868932
+N      4.52679914      1.49680292     -0.68941151
+C      5.40631474      0.79748913      0.23757867
+C      5.24050300      1.87144998     -1.90847824
+H      0.80676184      0.67796495      0.84660485
+H      0.63277604     -1.01741497      0.33112626
+H      0.57597232      0.28725335     -0.87106380
+H      3.10530287     -0.47948909      0.76025316
+H      2.48203569     -0.88158599     -2.25926592
+H      4.04325520     -1.27175072     -1.37339946
+H      2.62082249      1.50640250     -1.56648803
+H      4.89344703      0.61645844      1.19119330
+H      6.27479821      1.43915097      0.44558143
+H      5.79508148     -0.17202056     -0.14792684
+H      4.57335712      2.45110947     -2.56277746
+H      5.61022149      0.99518238     -2.48484379
+H      6.10230976      2.50469536     -1.65117940 
+
+19
+-1814.2756780054851 12.013611 13.22164 -8.3698 -6.2627 -9.799 0.8471 -0.1202 3.154 9.35523 -2.82313 7.7710953192 11.114538991 0.173339721
+C      1.03397498      0.01496678     -0.11029242
+C      2.54595223      0.03923112     -0.11592247
+C      3.33901391     -0.63454738     -1.22951599
+C      3.32740733      0.88601559     -1.08869931
+N      2.62763433      1.75181060     -2.02195701
+C      4.59566973      1.55213449     -0.58921367
+N      5.50569355      1.81910000     -1.71757001
+H      0.62481346      0.86645371      0.45365781
+H      0.66006173     -0.91105305      0.35195092
+H      0.61453513      0.06480478     -1.12534565
+H      2.99229401     -0.04218965      0.88093904
+H      2.76316437     -1.06072126     -2.05466513
+H      4.23665776     -1.20004993     -0.96689854
+H      1.92776925      1.23107343     -2.55304641
+H      3.32667637      2.08214195     -2.69668743
+H      5.03725018      0.92766383      0.21166080
+H      4.32387405      2.52309309     -0.14394079
+H      5.92213761      0.94158879     -2.04037059
+H      6.27718003      2.41827310     -1.41848315 
+
+17
+-1684.176382451812 11.672474 12.72357 -8.7367 -6.7741 -9.583 0.7675 -0.1252 1.003 8.79258 -0.46286 5.0071622114 9.0383438266 0.194053725
+C      0.85783131      0.15636475     -0.15799800
+C      2.31999311     -0.18739748      0.01326145
+C      3.04195887     -1.03072160     -1.01009738
+C      3.36236829      0.44750143     -0.87597973
+N      4.61725163      0.82524144     -0.29411859
+C      5.79844604      0.80876628     -1.01913493
+N      6.03088394      0.31882026     -2.18396457
+H      0.59079665      1.06960466      0.39497377
+H      0.21730557     -0.65969682      0.20822155
+H      0.61081270      0.32131311     -1.21697831
+H      2.64536075     -0.34483673      1.04529672
+H      2.48898484     -1.34810834     -1.89560186
+H      3.80069033     -1.72858587     -0.65711199
+H      2.98957601      1.09931201     -1.67667756
+H      4.58357226      1.46704020      0.49432796
+H      6.63205501      1.26480649     -0.46469072
+H      5.17099270     -0.07770379     -2.59058781 
+
+17
+-1656.8832511227176 12.399714 13.18329 -8.3653 -6.3921 -9.036 1.5015 -0.2175 0.675 8.44663 -0.1401 4.837065818 5.321107162 0.363184064
+C      0.36457000      0.21921371      0.12024673
+C      1.84136688     -0.09737629      0.14852854
+C      2.52346758     -0.73184473     -1.04229165
+C      2.80705140      0.70889739     -0.68359080
+N      4.10507445      0.99576203     -0.13415508
+N      4.16498828      2.04994156      0.72788372
+C      5.29417152      2.64530430      0.89125735
+H      0.11985550      1.02604143      0.82685751
+H     -0.23562018     -0.66282818      0.38970788
+H      0.04587358      0.54207763     -0.88211033
+H      2.24311739     -0.39190874      1.12049140
+H      1.93081472     -0.91834202     -1.93916166
+H      3.31591728     -1.45592824     -0.85039123
+H      2.36799687      1.47958262     -1.33033569
+H      4.87583777      0.94017224     -0.81417023
+H      5.34028237      3.44866678      1.62669998
+H      6.20825459      2.37610850      0.33526355 
+
+18
+-1802.3650515931479 11.452098 12.52476 -8.793 -6.7219 -10.256 0.9135 0.0219 3.07 9.58316 -2.76152 8.322684236 11.0257278192 0.089826431
+C      0.97571834      0.01975022     -0.00925648
+C      2.50033055      0.00313625      0.02081864
+C      3.12545294     -1.14000782      0.89487576
+C      3.93163136     -0.26542347      1.87021917
+C      4.61298159      0.76626032      0.93459360
+C      3.13333473      1.19542187      0.77663712
+N      2.87783995      0.77894931      2.22131857
+H      0.57875547     -0.90695391     -0.45002371
+H      0.59690115      0.86250916     -0.60819640
+H      0.57908515      0.11389754      1.01173122
+H      2.89445459     -0.03019482     -1.00795867
+H      3.76161072     -1.82814228      0.32085946
+H      2.35545797     -1.72029801      1.42199393
+H      4.45444477     -0.76036276      2.69921500
+H      5.16925487      0.41153540      0.04955252
+H      5.20434063      1.50624177      1.49266980
+H      2.82928032      2.20706867      0.47516882
+H      3.34974488      1.48024258      2.80917165 
+
+16
+-1657.3661697160298 11.583823 12.28462 -8.9157 -6.8717 -9.16 0.8952 0.0129 1.511 8.49699 -0.84386 6.475602801 6.475602801 0.44357973
+C      1.03284143      0.01291972     -0.00540869
+C      2.36678742     -0.00673231      0.00150130
+C      3.34083699     -1.18421016      0.04462858
+C      4.64202318     -0.35862228     -0.04077693
+C      4.33262177      0.67122285     -1.15746357
+C      3.33311123      1.15338590     -0.06233510
+N      4.34173338      0.70879331      1.00590160
+H      0.44878690     -0.90878630      0.02767298
+H      0.47899216      0.95302362     -0.03880307
+H      3.21623192     -1.87973525     -0.79822878
+H      3.27765853     -1.74335545      0.98853898
+H      5.59669888     -0.89363159      0.03474422
+H      3.94010147      0.32347027     -2.12767811
+H      5.15425804      1.38749141     -1.30095495
+H      2.93167471      2.17249886     -0.01023328
+H      5.11707199      1.38618739      0.95311481 
+
+16
+-1646.8093985942182 11.395328 12.31215 -8.6103 -6.5086 -8.223 0.9274 0.0454 1.445 7.68362 -0.73515 5.33015814 5.33015814 0.210799426
+C      1.15259785      0.19719014     -0.03888653
+C      2.61011599     -0.09730168     -0.04020052
+C      3.33172668     -1.14525872     -0.47729136
+C      4.76229416     -0.73908330     -0.10565038
+C      4.78900125      0.74584637     -0.58936226
+C      3.71284259      0.81136264      0.54000918
+N      4.51555327     -0.23469440      1.32599131
+H      0.58102000     -0.60879956     -0.51814925
+H      0.93223278      1.13718938     -0.57142229
+H      0.77526820      0.32205945      0.98947429
+H      3.01396482     -2.07331146     -0.94697926
+H      5.58448465     -1.44599984     -0.27056421
+H      4.48398627      0.96798943     -1.62435920
+H      5.72062241      1.27207341     -0.32580368
+H      3.42245394      1.73712042      1.05378453
+H      5.38866514      0.23758773      1.61681964 
+
+18
+-1808.4981274539964 11.496824 12.56829 -8.5176 -6.4728 -9.716 0.948 0.0572 3.113 8.98979 -2.8277 7.8094317904 11.2323504882 0.157485474
+C      1.04209292      0.05790174      0.45416257
+C      2.49652830      0.01886703     -0.02211296
+C      2.85039412     -1.34263858     -0.68790912
+C      2.64867106     -1.08565626     -2.18117306
+C      3.75121996     -0.36104052     -2.92150503
+C      2.57994949      0.41909446     -2.36370070
+N      2.72144709      1.05921478     -1.06464199
+H      0.79207411      1.05542275      0.83967346
+H      0.86576647     -0.68376054      1.24762066
+H      0.35864827     -0.16331141     -0.38002163
+H      3.15744785      0.23285683      0.83382939
+H      2.20015716     -2.15452240     -0.32930386
+H      3.88964270     -1.63526166     -0.46725046
+H      1.98974379     -1.74155814     -2.75118821
+H      4.71760188     -0.25519572     -2.42127071
+H      3.80847250     -0.48883889     -4.00420618
+H      1.86654689      0.86638230     -3.06024299
+H      3.65814544      1.45506423     -0.96629919 
+
+18
+-1795.801983090737 11.430353 12.49363 -8.6719 -6.6869 -10.471 0.947 0.0755 3.051 9.76379 -2.78764 8.6016651346 11.062092913 0.097126309
+C      1.00932501      0.07279328      0.01171595
+C      2.52649006      0.02331111      0.10628341
+C      3.12121045     -1.15491046      0.96212219
+C      3.96560099     -0.30033071      1.92231651
+C      4.54574568      0.75377288      0.94798040
+N      3.11000583      1.24088583      0.78299532
+C      2.97108701      0.83689408      2.25031237
+H      0.63294060     -0.81668772     -0.51451040
+H      0.68609666      0.96551307     -0.54168760
+H      0.53368622      0.09419588      1.00334474
+H      2.94252771      0.00710896     -0.91373711
+H      3.72753048     -1.85353809      0.36732642
+H      2.34265173     -1.73025760      1.48606421
+H      4.56508452     -0.81901220      2.68475230
+H      5.02960558      0.41565953      0.01843163
+H      5.14852377      1.53106322      1.43713734
+H      3.39156901      1.62879152      2.88456846
+H      1.95395869      0.58416741      2.58252384 
+
+18
+-1803.4715334968912 11.372988 12.50602 -8.7247 -6.6492 -10.358 0.9412 0.0541 2.997 9.75758 -2.73276 8.3971130318 12.0526418642 0.114114244
+C      1.03221376      0.00872427      0.43749527
+C      2.50924243     -0.01087574      0.02632374
+C      2.90311556     -1.36212282     -0.62503199
+C      2.65028258     -1.13882468     -2.11446926
+C      3.69471890     -0.43159337     -2.90092748
+N      2.53194526      0.32387415     -2.39309800
+C      2.79986849      1.01033164     -1.09745753
+H      0.75082568      0.98515171      0.85876465
+H      0.82065458     -0.75959416      1.19587840
+H      0.38186371     -0.18135721     -0.43007697
+H      3.13282985      0.19802146      0.91074740
+H      2.30057265     -2.19295038     -0.23121509
+H      3.95984656     -1.60351635     -0.43108398
+H      1.92513778     -1.77560551     -2.62812503
+H      4.66359058     -0.27176632     -2.41366988
+H      3.73834249     -0.53295603     -3.98861675
+H      3.84286118      1.36743678     -1.05493270
+H      2.14357796      1.89068253     -1.02612480 
+
+16
+-1664.2378019424434 11.390519 12.13057 -8.9233 -6.9007 -9.183 1.2476 -0.2183 1.406 8.55953 -0.75901 6.3705122674 6.3705122674 0.395280836
+C      1.51910811      0.10590135      1.02881374
+C      2.33443764     -0.04591736     -0.02019265
+C      2.87429716     -1.34932908     -0.57281107
+C      4.19134204     -0.93706411     -1.21200791
+C      5.08932361     -0.07159950     -0.39985371
+N      4.21895097      0.53974419     -1.42776761
+C      2.95675147      1.06191431     -0.85107008
+H      1.20385077      1.09598578      1.36492385
+H      1.12772446     -0.75175353      1.57958092
+H      2.19530303     -1.74616794     -1.34771938
+H      2.98358741     -2.12366056      0.20018879
+H      4.60274848     -1.54578062     -2.02034350
+H      4.82842618      0.07444967      0.65406033
+H      6.15589981     -0.02574473     -0.62807874
+H      3.14458998      1.97960332     -0.27453875
+H      2.29776888      1.32575879     -1.69644424 
+
+16
+-1666.9202907562928 11.392464 12.22236 -8.3264 -6.2732 -8.482 1.1158 -0.0265 1.403 8.02041 -0.73148 5.6361307908 5.6361307908 0.259656892
+C      0.96178075     -0.07864039      0.32483446
+C      2.39500805      0.10773427     -0.05340002
+C      3.13750654      1.22812869      0.00111199
+C      4.54296170      0.94886564     -0.39685583
+C      5.26661754     -0.03338647      0.46908014
+N      4.61987640     -0.49747517     -0.77102096
+C      3.25017293     -1.03449544     -0.57045836
+H      0.85966712     -0.78742565      1.16304484
+H      0.38279704     -0.50077204     -0.51338385
+H      0.49408035      0.86896415      0.62278954
+H      2.78308827      2.21177748      0.31158991
+H      5.10011851      1.65738713     -1.01665267
+H      6.35811861     -0.08942655      0.44813827
+H      4.79636538     -0.27222399      1.42901369
+H      3.27533813     -1.89378637      0.12242359
+H      2.86812267     -1.41550530     -1.53536474 
+
+18
+-1812.93381777411 11.382933 12.49816 -9.1695 -7.0429 -10.626 0.8935 -0.0088 2.909 10.03249 -2.62943 8.5120232566 11.3729754094 0.296763677
+C      1.38653679      0.10594267      0.88554240
+C      2.48078789     -0.02210292     -0.17284223
+C      2.44174122     -1.35182695     -0.96865832
+C      3.06574518     -1.03401445     -2.31647963
+N      4.34079934     -0.28501063     -2.34901665
+C      3.06510920      0.44908094     -2.49608971
+C      2.43978114      1.07857213     -1.26347717
+H      1.45886221      1.06394361      1.42156198
+H      1.45596978     -0.69906510      1.63227634
+H      0.38716003      0.05261547      0.42609170
+H      3.45159627      0.04179413      0.34844409
+H      1.39624819     -1.67019826     -1.12797240
+H      2.95071625     -2.17109700     -0.43546427
+H      2.92114732     -1.72546200     -3.15066186
+H      4.71274693     -0.17000720     -1.39973531
+H      2.91997907      0.92104378     -3.47113708
+H      2.94591633      2.00304198     -0.94157575
+H      1.39363685      1.34649980     -1.49479612 
+
+16
+-1671.0947392423411 11.404519 12.07825 -9.2431 -7.0767 -9.223 1.1507 -0.2445 1.356 8.60866 -0.71011 6.3603206182 6.3603206182 0.384181989
+C      1.40157840      0.02107584      0.99929335
+C      2.30074518      0.00031492      0.00870893
+C      2.92376207     -1.24208627     -0.60542449
+C      4.29467966     -0.77627391     -1.07239502
+N      5.12665607     -0.01861783     -0.11451831
+C      4.30369388      0.71920566     -1.09543611
+C      2.93851866      1.21560528     -0.64345742
+H      1.01985797      0.96121798      1.40267076
+H      1.00868797     -0.90150027      1.43148851
+H      2.33672018     -1.57187848     -1.48220925
+H      2.96017521     -2.08790143      0.09797402
+H      4.85078510     -1.37770855     -1.79497210
+H      4.66803107     -0.00167353      0.80588846
+H      4.86690142      1.29140613     -1.83602031
+H      2.98498509      2.08234743      0.03335843
+H      2.35532206      1.52498702     -1.53020943 
+
+16
+-1672.6615698819708 11.365792 12.1369 -8.5498 -6.482 -8.658 1.2157 -0.1419 1.294 8.16026 -0.62629 5.6952225184 11.3796706534 0.39913327
+C      0.94982194      0.00704476     -0.23881982
+C      2.42453544      0.04399630      0.00176226
+C      3.23224697      1.12513046      0.00398853
+C      4.66548527      0.74747269      0.16084303
+N      5.24909947     -0.10038626     -0.91950477
+C      4.68116341     -0.74942155      0.27659654
+C      3.23041170     -1.22123928      0.25063433
+H      0.70619325     -0.57264897     -1.14449363
+H      0.53542022      1.01667846     -0.35981251
+H      0.42356164     -0.48406669      0.59629685
+H      2.89788056      2.15466734     -0.13679602
+H      5.37622342      1.40351551      0.66728997
+H      4.57010465     -0.14453440     -1.69046421
+H      5.40875478     -1.28215921      0.89191549
+H      2.94848437     -1.68077984      1.21466178
+H      3.04941291     -1.98994934     -0.52147783 
+
+20
+-1941.7416230242952 12.409655 13.83377 -9.21 -6.913 -10.605 0.9425 0.013 2.991 9.95529 -2.73253 8.6882321598 9.8566514266 0.116170184
+C      0.94180527      0.01566656     -0.00427305
+C      2.46032700      0.03202523      0.06567134
+C      3.17306665      1.08704216      0.95724758
+C      4.22455496      0.00789038      1.32702433
+C      3.20671131     -1.07600021      0.86688322
+C      3.71489521     -2.30509484      0.13133153
+N      4.43153573     -3.20469278      1.05036041
+H      0.57129469     -0.85518728     -0.56674894
+H      0.55585277      0.91889052     -0.50184172
+H      0.50299732     -0.02463651      1.00497947
+H      2.88406893      0.07748191     -0.95371670
+H      2.54935608      1.35136121      1.82547222
+H      3.52496009      2.01291730      0.48103853
+H      5.09293413      0.04729230      0.64922978
+H      4.58375844     -0.02551399      2.36473009
+H      2.59213957     -1.39830974      1.72492215
+H      4.32304569     -1.96791649     -0.73610390
+H      2.85616526     -2.86266752     -0.28043770
+H      5.27290582     -2.73675632      1.39887251
+H      4.75778505     -4.03252189      0.54672886 
+
+20
+-1940.1777655292246 12.519733 13.95288 -9.1623 -6.8761 -10.475 0.8781 -0.0384 3.023 9.93353 -2.67571 8.5877415068 11.0432098452 0.164344674
+C      0.86678506      0.03520047     -0.22407223
+C      2.36466795      0.02994698      0.02589722
+C      2.73104169     -0.06211685      1.49683964
+C      3.23829104     -0.68207196     -0.98776316
+C      3.21583238      0.83709563     -0.93781604
+C      4.44716246      1.61734074     -0.53701180
+N      5.27830255      1.87729266     -1.72678024
+H      0.63840092      0.09849456     -1.29768592
+H      0.38666365      0.89358285      0.27304102
+H      0.39888311     -0.88274025      0.16732305
+H      3.81515056     -0.12481049      1.65787166
+H      2.27779079     -0.96064883      1.94546142
+H      2.35621365      0.81102739      2.05508265
+H      2.76013603     -1.18774718     -1.82873712
+H      4.13533156     -1.17985021     -0.60988258
+H      2.66043991      1.32188795     -1.74686379
+H      4.98243576      1.08313320      0.27273969
+H      4.14564466      2.59616118     -0.12549595
+H      5.59746434      0.98484178     -2.11483937
+H      6.12015193      2.39243037     -1.45831817 
+
+20
+-1940.757277243625 12.514882 13.65403 -8.4184 -6.3466 -9.705 0.8135 -0.1333 2.902 9.29696 -2.54027 7.6747086028 11.2846105872 0.167935821
+C      0.90238870      0.11790573     -0.27537929
+C      2.39542061      0.10325292      0.00841158
+C      2.69673708      0.00770834      1.49331838
+C      3.30925571     -0.64087525     -0.95906807
+C      3.37732348      0.86573739     -0.90601180
+C      2.86006562      1.67754082     -2.07886753
+N      4.60836765      1.45634900     -0.39596563
+H      0.67321298      0.10422016     -1.34809435
+H      0.42110282      1.00870908      0.16067725
+H      0.42130918     -0.76775300      0.17164951
+H      3.77225765     -0.03091676      1.71269995
+H      2.24444625     -0.90231866      1.91930105
+H      2.27757619      0.87012920      2.03787654
+H      2.86057414     -1.10254375     -1.84165248
+H      4.14892996     -1.20312895     -0.54136683
+H      1.97944666      1.22696695     -2.55104757
+H      3.65320998      1.76694443     -2.83497539
+H      2.58364722      2.69649231     -1.76024439
+H      5.06183716      0.84011992      0.27927378
+H      4.40022094      2.32973013      0.09886532 
+
+16
+-1679.1781481322676 11.076654 12.30649 -10.9036 -8.7154 -11.375 0.7897 -0.1332 1.567 10.91046 -1.13261 5.3346464332 10.0800989958 0.207844589
+C      0.89658460     -0.01710138      0.08919611
+C      2.42464800      0.00059607      0.00252205
+C      3.19477806      1.07743478      0.85216730
+C      4.22579581     -0.00624810      1.25622261
+C      3.21739053     -1.09374427      0.80785382
+C      2.85599244      0.03359410     -1.39426971
+N      3.19750515      0.05990579     -2.51083061
+H      0.58853216     -0.04176369      1.14368616
+H      0.48359185     -0.90106092     -0.41650226
+H      0.46506284      0.87791418     -0.38029519
+H      2.56605873      1.39010206      1.69791842
+H      3.55475463      1.96659710      0.32001471
+H      5.11249206      0.01618889      0.60831788
+H      4.55256332     -0.02424989      2.30359426
+H      3.59551456     -1.95280527      0.24003079
+H      2.59564525     -1.45363944      1.63987366 
+
+20
+-1940.2866692980954 12.491729 14.12413 -9.1826 -6.887 -10.531 0.9155 -0.0079 3.225 9.94604 -2.91628 8.6523382128 12.0520715286 0.249902224
+C      1.02542118     -0.06385063      0.03240434
+C      2.53768308     -0.03446651     -0.02222578
+C      3.33848034     -0.70047049     -1.13002141
+C      2.69040918     -1.45256445     -2.27225740
+C      3.27398090      0.81328062     -1.03589581
+C      4.49183124      1.61659889     -0.64320100
+N      5.32104341      1.91161923     -1.82403592
+H      0.64178733      0.77015447      0.63979210
+H      0.65706922     -0.99965507      0.48119177
+H      0.57473643      0.02671913     -0.96555447
+H      3.01409495     -0.08460441      0.96256156
+H      4.28340867     -1.13947556     -0.79034614
+H      1.76778780     -0.96404202     -2.61446952
+H      2.43345929     -2.48335580     -1.98162600
+H      3.36733501     -1.50910175     -3.13836267
+H      2.64732640      1.29711145     -1.79267284
+H      5.02742205      1.07120025      0.16306200
+H      4.17368341      2.58149568     -0.21229933
+H      5.67605853      1.03489480     -2.21597491
+H      6.14100157      2.45784215     -1.54965858 
+
+20
+-1940.2231701505032 12.433728 13.75112 -8.4449 -6.3425 -9.772 0.8374 -0.086 3.149 9.35446 -2.8107 7.802253001 10.695404318 0.138090776
+C      0.99648971      0.08264477     -0.08225071
+C      2.50899865      0.05792907     -0.02360972
+C      3.37155695     -0.68161599     -1.04981138
+C      2.79560300     -1.44092411     -2.22515099
+C      3.42733816      0.82833137     -0.97457010
+C      2.84823900      1.68586020     -2.08085383
+N      4.67827316      1.40126878     -0.48541559
+H      0.59470059      0.96793503      0.43514394
+H      0.56910392     -0.80677853      0.40756646
+H      0.60935723      0.10288798     -1.10952341
+H      2.89803960      0.00281129      0.99925960
+H      4.25136779     -1.17454505     -0.62023241
+H      1.90828604     -0.95630749     -2.65334858
+H      2.50006717     -2.45887510     -1.92741034
+H      3.53855105     -1.53331184     -3.03204837
+H      1.90745086      1.29032748     -2.48141351
+H      3.57096395      1.77243473     -2.90524528
+H      2.64312932      2.70287296     -1.70844330
+H      5.12179361      0.76185176      0.17841042
+H      4.48080024      2.26268266      0.03515710 
+
+16
+-1679.7664153508092 11.449974 12.96486 -10.1684 -8.0769 -10.817 0.7195 -0.2112 1.426 10.40155 -1.02477 5.2643711684 10.5204848692 0.447051092
+C      1.00177916      0.01198171     -0.03054084
+C      2.51069221     -0.05943318      0.00178335
+C      3.33375246     -0.78403379     -1.03320228
+C      2.73764397     -1.51612087     -2.21277800
+C      3.33333635      0.74661120     -1.00668782
+C      4.50009616      1.46192655     -0.58077793
+N      5.45536995      2.03357334     -0.22313125
+H      0.64473254      0.89260510      0.52237132
+H      0.56069549     -0.88036712      0.43823163
+H      0.60904180      0.08092431     -1.05377547
+H      2.94080107     -0.07188537      1.00613644
+H      4.25386319     -1.22719693     -0.64473387
+H      1.84242263     -1.01590041     -2.60539081
+H      2.45191975     -2.54020062     -1.92974047
+H      3.46629109     -1.58570384     -3.03300093
+H      2.76763218      1.23955990     -1.80143305 
+
+16
+-1679.6620031251246 11.193738 12.56463 -11.0308 -8.7039 -11.448 0.784 -0.2128 1.521 11.05042 -1.11968 5.3414532646 12.3031555772 0.24888378
+C      0.92216942     -0.00588630      0.04623847
+C      2.44029898      0.01198116      0.02802026
+C      3.19036784      1.06746075      0.88745461
+C      4.24958065     -0.02450457      1.26013509
+C      3.21485613     -1.10104872      0.78735804
+C      5.45109383      0.02667798      0.44273226
+N      6.40913444      0.06802272     -0.22395030
+H      0.52680206     -0.87113964     -0.50681211
+H      0.50720321      0.90184056     -0.41711413
+H      0.54052416     -0.06229791      1.07794075
+H      2.80778546      0.06409115     -1.00952667
+H      2.61337717      1.34729406      1.78102334
+H      3.56081524      1.97455002      0.39430133
+H      4.54796173     -0.06985434      2.31713475
+H      3.60519084     -1.95045265      0.21344033
+H      2.64514882     -1.47464428      1.65081400 
+
+20
+-1945.4257817269206 12.334194 13.45496 -8.7436 -6.6763 -10.157 0.8728 -0.0665 2.886 9.58153 -2.58972 8.1141521826 9.8892349474 0.09034379
+C      0.91149774      0.01569519     -0.02513868
+C      2.42877105      0.00755977      0.06936590
+C      3.16015653      1.03544637      0.97201271
+C      4.21515831     -0.05295786      1.29926460
+C      3.20471550     -1.14272382      0.83257050
+C      2.41768395     -1.73193184      2.00151590
+N      3.80238817     -2.24368396      0.07909242
+H      0.53668557     -0.85347576     -0.58894575
+H      0.55339611      0.91919691     -0.54250697
+H      0.44281834     -0.00159040      0.97039639
+H      2.86073611      0.06234989     -0.94621029
+H      2.55573699      1.30081040      1.85285156
+H      3.51431406      1.96298761      0.50209167
+H      5.07522457     -0.00343118      0.61437179
+H      4.59027260     -0.12759564      2.33013334
+H      2.00392007     -0.94819965      2.65094844
+H      3.07975532     -2.36920471      2.60478347
+H      1.57674375     -2.34909086      1.64602606
+H      4.23223585     -1.88749064     -0.77889222
+H      3.08182941     -2.91208981     -0.20940085 
+
+16
+-1680.9102844664167 11.243147 12.63037 -10.9618 -8.7066 -11.423 0.791 -0.1624 1.493 10.98965 -1.06549 5.3438337958 12.012073645 0.161120363
+C      0.94247674     -0.01996582      0.01589877
+C      2.45784291      0.02760032      0.05077960
+C      3.18669615      1.07774322      0.93515862
+C      4.25203411      0.00807284      1.28447764
+C      3.22513562     -1.08434566      0.85021082
+C      3.69970879     -2.25172766      0.13223688
+N      4.09101224     -3.17099104     -0.47299438
+H      0.58358658     -0.90029257     -0.53742747
+H      0.53421533      0.87401296     -0.47850973
+H      0.52385192     -0.06193023      1.03321578
+H      2.86817027      0.06063002     -0.97078260
+H      2.57866141      1.34347630      1.81349737
+H      3.52978598      1.99955232      0.44858844
+H      5.10590081      0.03540618      0.59507808
+H      4.62063403     -0.04752618      2.31594373
+H      2.62113714     -1.41138499      1.71199844 
+
+18
+-1808.5330008284814 11.371215 12.4922 -8.7689 -6.7287 -10.454 0.9502 0.0673 3.109 9.78557 -2.83569 8.5190656614 11.9625660352 0.161945034
+C      1.34879503      0.41739549      0.53863950
+C      2.52812149     -0.12133285     -0.26026787
+C      2.33273463     -1.54380398     -0.83781211
+C      3.25014473     -1.56688260     -2.07461540
+C      3.29588522     -0.11060503     -2.51536434
+C      2.00443371      0.62868414     -2.57034474
+N      2.89233561      0.77539134     -1.39441386
+H      1.55767120      1.43272143      0.90263374
+H      1.14271370     -0.22464301      1.40700221
+H      0.43769494      0.45504548     -0.07817863
+H      3.42267365     -0.12479927      0.38758778
+H      1.28126458     -1.70408394     -1.12256515
+H      2.58641757     -2.32305196     -0.10599708
+H      4.26590330     -1.89332024     -1.80083568
+H      2.88929886     -2.24317522     -2.86417798
+H      4.14172936      0.22883222     -3.11899034
+H      1.92081273      1.53064381     -3.18016520
+H      1.07774970      0.05512419     -2.47654483 
+
+16
+-1663.9489515336263 11.245966 11.93369 -8.5074 -6.4616 -8.792 1.4039 -0.106 1.327 8.3659 -0.69115 5.8315327268 5.8315327268 0.24115925
+C      1.19759259     -0.28988051     -0.04919364
+C      2.63544830      0.22965312     -0.01758267
+C      2.86314612      1.49645531      0.78338908
+C      3.88818054      1.34498342      1.63506399
+C      4.40895689     -0.04934283      1.56309514
+C      3.41820299     -1.09598925      1.96563692
+N      3.60152344     -0.77067639      0.53766265
+H      1.14776787     -1.23093730     -0.61376156
+H      0.53911573      0.43989777     -0.54098824
+H      0.80796484     -0.46928358      0.96283935
+H      2.94791425      0.40262719     -1.06547210
+H      2.25320742      2.39409189      0.67031407
+H      4.28413813      2.10332209      2.31089355
+H      5.48326647     -0.25029751      1.59664113
+H      3.75685198     -2.10074875      2.23069611
+H      2.52992243     -0.73974468      2.49500622 
+
+18
+-1813.382772850728 11.446336 12.57126 -8.9581 -6.8626 -10.551 0.8994 -0.0182 3.03 10.00862 -2.68443 8.3869833756 11.3060725638 0.152142366
+C      1.23747915      0.31287175      0.60982713
+C      2.48326892     -0.11906152     -0.16329111
+C      2.37750506     -1.53895466     -0.77914255
+C      3.31543539     -1.54408528     -2.00732062
+C      3.31683126     -0.09813976     -2.47152460
+N      1.94880080      0.48687655     -2.54204156
+C      2.81928271      0.75796681     -1.36323785
+H      1.36188190      1.31379923      1.05050385
+H      1.01400791     -0.38615599      1.42948492
+H      0.36755561      0.34136115     -0.06309946
+H      3.36003914     -0.08356200      0.50978162
+H      1.34219853     -1.70511958     -1.10933377
+H      2.62577876     -2.32530940     -0.05248167
+H      4.34323101     -1.82583735     -1.72356912
+H      2.98072824     -2.24395273     -2.78812739
+H      4.07747047      0.25574428     -3.17148501
+H      1.97571039      1.30390458     -3.16039176
+H      3.19583474      1.77249390     -1.20836104 
+
+16
+-1670.3003127617062 11.689902 12.29439 -8.7489 -6.6711 -9.059 1.0166 -0.0726 1.387 8.44343 -0.73397 6.3013776738 6.3013776738 0.442192226
+C      1.30413465      0.12724286      0.73751793
+C      2.35949218     -0.08479374     -0.05966109
+C      2.82541767     -1.40954179     -0.63737375
+C      4.36750486     -1.28249041     -0.73736451
+C      4.61173518      0.21320861     -0.86486409
+N      3.76277698      0.84333402     -1.89925923
+C      3.36729692      0.93527611     -0.45069666
+H      1.05590959      1.12797110      1.09674940
+H      0.65454726     -0.69066407      1.05369163
+H      2.40044967     -1.52149919     -1.64643882
+H      2.49958784     -2.26925311     -0.03730040
+H      4.84684774     -1.64345398      0.18651059
+H      4.78424421     -1.85100761     -1.58208113
+H      5.59985881      0.62990426     -0.65714152
+H      4.18012196      1.74362498     -2.15936638
+H      3.39393447      1.90840196      0.04267803 
+
+14
+-1529.7654756675338 11.801796 11.63318 -8.6161 -6.6733 -8.491 0.3093 -1.2925 0.152 8.00987 0.36882 4.8708272058 4.8708272058 0.498146519
+C      1.00696511     -0.06488273     -0.00885730
+C      2.34317058      0.10428826      0.01006325
+C      3.07987576      1.36298794     -0.17337422
+C      4.40624429      1.17187512      0.02271511
+C      4.69995149     -0.26830739      0.29049097
+N      4.37731667     -1.22252152     -0.80431136
+C      3.36958263     -0.96364076      0.25653121
+H      0.55591546     -1.04284376      0.16480833
+H      0.33307374      0.77212874     -0.19802552
+H      2.60494321      2.29901907     -0.46892639
+H      5.17785506      1.93895284     -0.04432214
+H      5.52153800     -0.57165758      0.94193185
+H      4.12772695     -0.68278909     -1.64295460
+H      3.12726105     -1.82687914      0.87881083 
+
+16
+-1672.5270503627005 11.339716 12.14627 -8.5792 -6.526 -8.665 1.0956 0.0363 1.305 8.13258 -0.63794 5.7158909846 5.7158909846 0.25250019
+C      1.04483200     -0.12613975      0.04960775
+C      2.51591104      0.13918783     -0.00405951
+C      3.16478605      1.27647404      0.32178310
+C      4.65533234      1.17305274      0.09069601
+C      4.85845945     -0.28564213     -0.31320155
+N      4.47118701     -1.34872930      0.63134411
+C      3.50038426     -0.91546381     -0.41341945
+H      0.81363819     -0.96000302      0.73200697
+H      0.66337563     -0.41878526     -0.94236621
+H      0.48594027      0.75899612      0.38086238
+H      2.68885979      2.16576290      0.73972198
+H      4.98445593      1.84903058     -0.71766225
+H      5.24780880      1.44610793      0.98145657
+H      5.67811980     -0.55068047     -0.98383838
+H      4.18812055     -0.92507187      1.52456155
+H      3.23356889     -1.68207651     -1.14520307 
+
+16
+-1669.4405787485891 11.293377 11.93053 -8.7433 -6.7266 -8.959 1.2293 -0.2513 1.214 8.49726 -0.58601 5.8886282798 5.8886282798 0.241634251
+C      0.97939240      0.05165679     -0.01183832
+C      2.51433942     -0.00448575     -0.00496639
+C      3.14068393      1.30021849      0.44974885
+C      3.79976187      1.16421126      1.61558065
+C      3.81390900     -0.25799083      2.06259782
+N      4.49903062     -1.22037567      1.15215530
+C      3.04870683     -1.01732261      1.01415892
+H      0.55467233     -0.91558223     -0.32021722
+H      0.61391748      0.81978465     -0.70830935
+H      0.59753576      0.29395337      0.99068556
+H      2.85835785     -0.26597946     -1.02360480
+H      3.06647453      2.22094378     -0.13216728
+H      4.30475874      1.96579425      2.15648634
+H      3.83344078     -0.52650385      3.12057936
+H      4.99231630     -0.67945810      0.43008523
+H      2.43883218     -1.89188408      1.25605532 
+
+20
+-1960.7498257964635 12.197868 13.38351 -8.8809 -6.7616 -10.323 0.925 -0.0093 3.006 9.68919 -2.68923 8.3644179236 10.4503335904 0.114354513
+C      1.06107948      0.00376452     -0.23238463
+C      2.56517310      0.03614776      0.01367524
+C      3.04107634      1.15732037      0.95145272
+C      4.45326462      0.72161660      1.42759891
+C      4.55506501     -0.79353578      1.11346445
+C      3.13955733     -1.23178336      0.69421664
+N      3.15680268     -2.48731320     -0.05901284
+H      0.77431920     -0.84231940     -0.87686906
+H      0.71077710      0.92238419     -0.72616599
+H      0.51178231     -0.09402919      0.71833009
+H      3.08683986      0.14285796     -0.95863764
+H      2.35149186      1.22025336      1.81090131
+H      3.03784351      2.14599364      0.46955151
+H      5.23801591      1.28264834      0.89943995
+H      4.59016717      0.92666968      2.49909058
+H      5.23784114     -0.96754529      0.26445987
+H      4.93734138     -1.39135856      1.95166432
+H      2.53793520     -1.41736870      1.60568720
+H      3.65381606     -2.34976260     -0.94516012
+H      2.20392075     -2.76986034     -0.30223251 
+
+18
+-1822.550839618341 12.219595 12.99612 -8.7899 -6.6268 -8.635 0.9283 -0.0475 1.514 8.07925 -0.81946 5.8926702234 5.8926702234 0.301530513
+C      0.99080504      0.02129555      0.01772189
+C      2.48293132     -0.02036399     -0.05219525
+C      3.27384159     -1.10603307     -0.09555675
+C      4.74215984     -0.76309419     -0.06436452
+C      4.74422197      0.75624649     -0.34756672
+C      3.31583466      1.25533145      0.00989820
+N      2.75522062      2.33949670     -0.81082092
+H      0.55546757     -0.98476942     -0.04790485
+H      0.57407942      0.64746817     -0.78510078
+H      0.65977037      0.48227598      0.96345196
+H      2.90707740     -2.13508757     -0.09220271
+H      5.17056394     -0.98904518      0.92937294
+H      5.33804843     -1.33578256     -0.79303119
+H      4.90133930      0.92684063     -1.42557892
+H      5.53434785      1.30012714      0.19008874
+H      3.29165415      1.62814155      1.05317887
+H      2.88089047      2.11199204     -1.80258643
+H      3.27839606      3.20314027     -0.64776356 
+
+16
+-1680.5785618625548 12.03274 12.3972 -8.0607 -6.0738 -8.042 0.6465 -0.8573 0.668 7.58642 -0.08107 4.4228657878 7.2537141398 0.521360619
+C      0.93773695      0.09736912     -0.02419987
+C      2.42919359      0.08478986     -0.01074145
+C      3.28626193      1.13007747      0.09160546
+C      4.67368349      0.64345246      0.05426946
+C      4.67832615     -0.70188233     -0.07616242
+C      3.25277491     -1.20252052     -0.08817856
+N      2.98381659     -2.15518665     -1.17696165
+H      0.54520904      1.12301019     -0.02409264
+H      0.51654123     -0.42388289      0.85189881
+H      0.53794053     -0.41556789     -0.91634105
+H      3.00353392      2.18021696      0.18490997
+H      5.55235426      1.28435020      0.12940766
+H      5.53948554     -1.36409822     -0.14008572
+H      3.09008254     -1.74666120      0.86624959
+H      3.10617125     -1.67415383     -2.07311806
+H      2.00640810     -2.45752274     -1.14121951 
+
+20
+-1944.7968616929518 12.334055 13.41416 -8.7073 -6.6317 -10.124 0.8585 -0.082 2.807 9.56362 -2.47561 8.1783273362 10.3963128902 0.09082205
+C      0.89018845     -0.02194167      0.09881575
+C      2.40924813      0.01662047     -0.02322954
+C      2.83791478      0.08147559     -1.48944574
+C      3.16315885      1.07285253      0.84565441
+C      4.21378526     -0.00504370      1.22325405
+C      3.20201862     -1.09072071      0.79355784
+N      3.73809869     -2.31010632      0.21491918
+H      0.57781016     -0.06797300      1.15337384
+H      0.47204409     -0.90274629     -0.41601351
+H      0.42663299      0.87164014     -0.34970000
+H      3.93163507      0.13869957     -1.60258599
+H      2.41266983      0.97426931     -1.97368115
+H      2.48592223     -0.80005007     -2.04894823
+H      2.56418220      1.38476310      1.71423059
+H      3.52552334      1.97229715      0.32735419
+H      5.08229719      0.01676419      0.54737829
+H      4.58235310     -0.03740719      2.25721278
+H      2.58352554     -1.37999732      1.66027509
+H      4.23216083     -2.11007167     -0.65840624
+H      2.99114064     -2.97160412     -0.00936563 
+
+18
+-1817.6066699361704 12.009379 12.72198 -9.0391 -6.8596 -8.961 0.8997 -0.0351 1.393 8.44774 -0.74275 6.0603364912 6.0603364912 0.299176411
+C      0.92766836     -0.00466725      0.09349145
+C      2.44953586     -0.00954900     -0.06426494
+C      3.03179547     -1.22714282     -0.75330739
+C      4.09777486     -0.91389474     -1.50515054
+C      4.39050962      0.56532892     -1.44087233
+C      3.05968597      1.16754999     -0.89367006
+N      2.12308353      1.61312647     -1.93532720
+H      0.58330385      0.92481520      0.56797870
+H      0.60907963     -0.84879751      0.72303380
+H      0.41734722     -0.08509690     -0.87547579
+H      2.89127008      0.04317899      0.95106184
+H      2.63937271     -2.23476246     -0.60120143
+H      4.70662558     -1.62543175     -2.06541475
+H      5.23197476      0.76113642     -0.74917108
+H      4.67181287      1.00715005     -2.41097072
+H      3.25175520      2.03672337     -0.24554774
+H      1.98510607      0.85544295     -2.61254790
+H      2.54623834      2.38372007     -2.45868390 
+
+18
+-1818.5423290509161 12.028359 12.71018 -8.9716 -6.8431 -9.072 0.9371 -0.1164 1.424 8.55015 -0.78029 6.2106943134 6.2106943134 0.3024935
+C      1.01178327      0.00270988      0.09661784
+C      2.53609968     -0.06601907     -0.03645184
+C      2.97741104     -1.29625607     -0.87929402
+C      3.41548502     -0.70008418     -2.19158401
+C      3.45895912      0.63856623     -2.15558062
+C      3.10520145      1.18836062     -0.79446181
+N      4.27826014      1.87114112     -0.21932155
+H      0.69800501      0.90026394      0.65150982
+H      0.61407918     -0.87607295      0.62595570
+H      0.53730211      0.03910592     -0.89711459
+H      2.98064990     -0.10384829      0.97124243
+H      2.14805766     -2.01302331     -1.00669911
+H      3.79879519     -1.86668414     -0.41066328
+H      3.67325450     -1.31056603     -3.05956972
+H      3.76857757      1.28922468     -2.97435851
+H      2.31644004      1.95922527     -0.87278822
+H      5.03947774      1.19754684     -0.09378485
+H      4.04999140      2.23745955      0.70872633 
+
+20
+-1944.2446577710589 12.345465 13.66781 -8.7665 -6.6413 -10.145 0.8944 -0.0238 2.955 9.58518 -2.69511 8.2284052816 9.902017904 0.093707453
+C      0.91646702     -0.00185746      0.02170469
+C      2.43620422      0.02488521      0.03106604
+C      3.18448334      1.06118512      0.91636192
+C      4.25540166     -0.01999636      1.25027423
+C      5.51434183      0.06718921      0.39139636
+C      3.21759493     -1.09523549      0.79334761
+N      3.71573840     -2.30644851      0.15830026
+H      0.53291064     -0.87229982     -0.53421580
+H      0.49557763      0.90001095     -0.44921032
+H      0.51973165     -0.05739411      1.04818126
+H      2.81734952      0.08209102     -1.00377831
+H      2.58930941      1.33996335      1.79955956
+H      3.54149638      1.97971691      0.42806998
+H      4.54404824     -0.09116017      2.31026587
+H      5.28038411      0.20880726     -0.67590320
+H      6.12306702     -0.84367357      0.48791054
+H      6.13285175      0.92215246      0.70294476
+H      2.62270109     -1.40400883      1.67028853
+H      4.13065491     -2.09092146     -0.75190295
+H      2.95166624     -2.96300571     -0.01474104 
+
+14
+-1578.8649562672997 11.596585 11.689 -9.1085 -7.309 -8.888 0.6398 -0.8724 0.238 8.37107 0.37219 4.3639600392 6.5392324162 0.585709612
+C      1.01965641     -0.02308301      0.07591778
+C      2.52093158      0.04874963     -0.01645410
+C      3.19501371      1.27837266     -0.09102502
+C      4.58683037      1.29100202     -0.18945252
+C      5.26863689      0.07341127     -0.20971832
+C      4.51544518     -1.10113263     -0.12992365
+N      3.17764570     -1.13016084     -0.03504355
+H      0.57331363      0.96206574      0.26062534
+H      0.72318288     -0.71087256      0.87917889
+H      0.60168321     -0.42412956     -0.85978445
+H      2.62945141      2.21190887     -0.07370015
+H      5.12928248      2.23621352     -0.25076256
+H      6.35589348      0.02927611     -0.28391268
+H      5.01416308     -2.07585121     -0.14133502 
+
+20
+-1957.3890326443977 12.014225 13.09461 -8.2834 -6.2631 -9.813 0.8928 -0.0449 3.092 9.08461 -2.83582 7.9005986962 10.461132771 0.099366087
+C      0.96709083      0.05548387      0.13921622
+C      2.49015383      0.01538525     -0.03753259
+C      2.99550534     -1.35274796     -0.55096478
+C      2.68711119     -1.56474731     -2.03994059
+C      3.21317762     -0.38910318     -2.87331304
+C      2.68850249      0.94320973     -2.31798460
+N      2.94022085      1.14635219     -0.88249938
+H      0.65932241      1.04230905      0.51022222
+H      0.64324712     -0.70825950      0.86104156
+H      0.43025863     -0.13248397     -0.80166522
+H      2.93470504      0.19152319      0.95672802
+H      2.56501319     -2.16771597      0.05437293
+H      4.08965054     -1.39618687     -0.40534915
+H      3.12745306     -2.51304869     -2.38578295
+H      1.59749461     -1.65912340     -2.18929293
+H      4.31814837     -0.38415588     -2.84507427
+H      2.92215425     -0.49926436     -3.93123934
+H      3.13245729      1.79284579     -2.85944714
+H      1.59969821      1.00631682     -2.48806945
+H      3.94850512      1.26278121     -0.74755552 
+
+20
+-1955.9697958484842 12.129252 13.21996 -8.2499 -6.195 -9.733 0.8792 -0.066 3.025 8.97084 -2.6885 7.7216249052 10.5598008298 0.13354639
+C      0.97610561     -0.00568112      0.02701794
+C      2.50913408      0.01882587      0.00439630
+C      3.00531497      0.11368045     -1.45403313
+C      3.09028519      1.16062542      0.86453908
+C      4.50276069      0.67451846      1.21693235
+C      4.33596636     -0.85480546      1.35256044
+N      3.03809585     -1.17602907      0.71109468
+H      0.61567605     -0.09602343      1.06086733
+H      0.58991097     -0.86468388     -0.54293798
+H      0.55628834      0.90830694     -0.42016678
+H      4.10294214      0.15326740     -1.50843724
+H      2.60651509      1.00856974     -1.95717702
+H      2.67130545     -0.76441627     -2.02908530
+H      2.48338347      1.26417866      1.77810614
+H      3.07960711      2.12587475      0.33889912
+H      5.20530711      0.91778257      0.40576717
+H      4.89471931      1.13599868      2.13363542
+H      5.18284494     -1.39090747      0.89111190
+H      4.30615794     -1.15476493      2.41451757
+H      3.11944933     -1.97006732      0.07527203 
+
+18
+-1815.616805769901 11.834184 12.54699 -8.5101 -6.4396 -9.055 0.8723 -0.0833 1.401 8.54382 -0.7666 6.2295029896 6.2295029896 0.345074497
+C      1.07180131      0.11511234     -0.37230899
+C      2.47099515     -0.02582696      0.23523631
+C      3.15911061     -1.33829871     -0.20663218
+C      3.77538590     -1.21520845     -1.57603582
+C      3.97822025     -0.03075917     -2.17111929
+C      3.62511411      1.27268192     -1.50407597
+N      3.28692124      1.16831182     -0.07635043
+H      0.63353136      1.08332287     -0.09416859
+H      0.41334002     -0.68513630     -0.00569674
+H      1.09723605      0.04545850     -1.46973057
+H      2.36044649     -0.03818837      1.33225500
+H      2.43350061     -2.17049144     -0.19726930
+H      3.93739334     -1.62100094      0.52639749
+H      4.05698576     -2.13820373     -2.09080667
+H      4.39666508      0.01578981     -3.18129992
+H      4.45990656      1.98636413     -1.60077035
+H      2.78078032      1.74506440     -2.04342990
+H      4.16183584      1.09668829      0.44988589 
+
+18
+-1814.3895786008309 12.370359 13.32655 -8.6307 -6.5189 -9.097 1.0512 -0.1214 1.457 8.49012 -0.79793 6.3325601528 6.3325601528 0.404695536
+C      0.97898478     -0.02894552      0.00782009
+C      2.49975630     -0.05191225      0.06515347
+C      3.14660892      1.17866315      0.72427101
+C      4.48747663      0.66360983      1.20768564
+C      5.53914556      1.39389403      1.59232739
+C      4.43046529     -0.85475599      1.15030091
+N      3.00233626     -1.13562633      0.93096746
+H      0.58299026     -0.95264347     -0.44009191
+H      0.62334534      0.81419297     -0.60220707
+H      0.56287754      0.06523497      1.02147920
+H      2.90006367     -0.13422048     -0.97184986
+H      2.53233391      1.48697017      1.58793197
+H      3.23499408      2.03813029      0.04549357
+H      6.46248168      0.92516568      1.93864194
+H      5.51256155      2.48482121      1.57615816
+H      5.07937227     -1.20714464      0.31932797
+H      4.78952036     -1.32724165      2.07750118
+H      2.85646560     -2.05402196      0.50737886 
+
+20
+-1943.152745132063 12.414358 13.73995 -8.5518 -6.5447 -10.095 0.8757 -0.041 3.007 9.3398 -2.68505 8.1384038442 10.0355756232 0.08934113
+C      0.98737610     -0.05451936      0.19299011
+C      2.49581319      0.03562118      0.04228915
+C      3.26571412      1.13337392      0.81743564
+C      4.30295792      0.03107788      1.18683713
+C      4.71464406     -0.06648761      2.65171782
+C      5.52887531      0.04662192      0.26815138
+N      3.27324686     -0.99422669      0.79556981
+H      0.59612756     -0.96366417     -0.28829020
+H      0.49607070      0.81233405     -0.27539833
+H      0.71035350     -0.08667399      1.25661404
+H      2.75710550      0.06826306     -1.03344054
+H      2.70600393      1.48961891      1.69430593
+H      3.63659859      1.99241371      0.24361510
+H      3.82649580     -0.10000024      3.29679906
+H      5.33469917      0.79475567      2.94539915
+H      5.30023263     -0.98167293      2.83164267
+H      5.23876660      0.12949487     -0.78999351
+H      6.11638107     -0.87699591      0.39279077
+H      6.18960219      0.89540608      0.50407857
+H      3.64191519     -1.75613035      0.21840625 
+
+20
+-1957.6958897852605 12.336045 13.60632 -8.1987 -6.1937 -9.734 0.9249 0.0092 3.208 8.97901 -2.92075 7.807522406 11.0926430634 0.158475574
+C      1.00021565     -0.03434844     -0.02052552
+C      2.52344202      0.02510323      0.04865683
+C      3.08391616      1.16353162      0.91146922
+C      4.51374903      0.69250555      1.19324173
+C      4.35852228     -0.83018262      1.39354998
+C      5.55462267     -1.64510462      0.90754366
+N      3.08961777     -1.17767226      0.69805564
+H      0.66401440     -0.89026220     -0.62421733
+H      0.59116607      0.87918642     -0.47858919
+H      0.57982207     -0.14762548      0.98958283
+H      2.91479627      0.15876732     -0.98384833
+H      2.50561416      1.23229575      1.84813294
+H      3.03181236      2.13782418      0.40582926
+H      5.15270825      0.88918503      0.31524634
+H      4.97845379      1.18436693      2.05968671
+H      4.22634292     -1.03528812      2.47341039
+H      5.74791583     -1.46018990     -0.16139355
+H      5.38322567     -2.72331052      1.04808807
+H      6.46360710     -1.38069158      1.46899353
+H      3.23269555     -1.93286027      0.02685681 
+
+16
+-1706.9221661955442 12.180716 12.98702 -7.4165 -5.515 -7.489 0.7812 -0.1026 1.207 7.0314 -0.54174 4.52610893 11.9005606366 0.490462284
+C      0.94588574     -0.03351284     -0.00858896
+C      2.43420671      0.08252358     -0.00041795
+C      3.26752348      1.18958132      0.00488458
+C      4.61699267      0.72827211      0.01171040
+C      4.59380428     -0.65746767      0.01044752
+C      5.69460774     -1.67112327      0.01448905
+N      3.25983027     -1.02838503      0.00290699
+H      0.49864486      0.96847171     -0.00137028
+H      0.56279257     -0.57156565      0.87418622
+H      0.57092033     -0.55527814     -0.90457406
+H      2.93280796      2.22358819      0.00419586
+H      5.51387198      1.34191052      0.01711659
+H      5.29357414     -2.69482462      0.02546338
+H      6.34194991     -1.56522222      0.89811303
+H      6.33512913     -1.58136450     -0.87604078
+H      2.93411822     -1.98925350      0.00087840 
+
+16
+-1698.4415232382746 12.060086 12.54165 -7.5629 -5.6952 -7.673 0.8158 -0.0635 1.184 7.14852 -0.54646 4.6439700216 6.1413737408 0.452001292
+C      0.99443559      0.02016466     -0.01051861
+N      2.44732726     -0.00281040     -0.00226274
+C      3.24425029      1.12700765      0.00801609
+C      4.56622570      0.72242804      0.01457499
+C      4.56947479     -0.69923400      0.00813548
+C      3.25007605     -1.13448034     -0.00231318
+C      2.69678633     -2.52605602     -0.01439581
+H      0.66298019      1.06455294     -0.00555664
+H      0.58052170     -0.47683937      0.87919492
+H      0.59061069     -0.46545721     -0.91107721
+H      2.79734080      2.11608499      0.01028712
+H      5.43088331      1.37932883      0.02324969
+H      5.44129147     -1.34831253      0.01066342
+H      1.59926421     -2.53461584     -0.00271646
+H      3.03546660     -3.09973413      0.86157568
+H      3.01648504     -3.07867726     -0.91107675 
+
+20
+-1952.282077661858 12.441933 13.49937 -8.1888 -6.2458 -9.674 1.0011 0.0925 3.252 8.858 -2.95143 7.7683800258 12.0275842936 0.209894392
+C      1.10363457     -0.05702247     -0.14897725
+C      2.61822157      0.01941678      0.00152051
+C      3.10186367      1.20426792      0.86163455
+C      4.42231925      0.71443388      1.51190858
+C      4.57009042     -0.73220879      1.01083462
+N      3.19836758     -1.14313919      0.69775833
+C      3.14372714     -2.38511629     -0.05626429
+H      0.79298549     -0.89245399     -0.79221292
+H      0.72127744      0.86702768     -0.60603186
+H      0.62973353     -0.18131207      0.83621455
+H      3.07425011      0.10729400     -1.01620444
+H      2.34972683      1.43053681      1.63221390
+H      3.23452962      2.10988934      0.25334911
+H      5.28763463      1.32693314      1.22395211
+H      4.34865471      0.74076571      2.60756691
+H      5.21224097     -0.75998413      0.09866946
+H      5.01671490     -1.41137329      1.75317128
+H      2.10148437     -2.68374701     -0.23281314
+H      3.62619506     -3.18784811      0.51970928
+H      3.65935814     -2.31073992     -1.04161929 
+
+18
+-1803.5804352460934 11.95039 12.7085 -8.2083 -6.2009 -8.992 1.0701 0.0361 1.411 8.49806 -0.76593 6.0859272016 6.0859272016 0.275037208
+C      0.94707578     -0.01168578      0.08480452
+C      2.46450032     -0.02807700     -0.07915218
+C      3.03861099     -1.26347962     -0.75397842
+C      4.08960070     -0.92197890     -1.50767179
+C      4.30781854      0.57309639     -1.41632037
+N      3.04823663      1.11842042     -0.84941308
+C      2.18270509      1.60701167     -1.92854808
+H      0.60822160      0.92897573      0.54152942
+H      0.64828558     -0.83144721      0.75351051
+H      0.42204556     -0.15072315     -0.87038438
+H      2.90164126      0.02814816      0.93983943
+H      2.66747286     -2.27436777     -0.57860661
+H      4.73702266     -1.60071260     -2.06370595
+H      5.15584850      0.79241863     -0.73778766
+H      4.53956446      1.05023920     -2.38104390
+H      2.69862381      2.43505561     -2.43474483
+H      1.25156318      2.01423367     -1.51364294
+H      1.92228248      0.84342255     -2.69269368 
+
+18
+-1788.842756119599 12.499294 13.50271 -8.6541 -6.6989 -9.235 1.3441 -0.0432 1.311 8.75571 -0.71862 6.3990042502 6.3990042502 0.401515975
+C      0.99770530      0.13773670     -0.02835369
+C      2.50031390      0.03880992      0.01029220
+C      3.31871928     -0.75463783     -0.99292080
+C      2.73380023     -1.53615451     -2.10934154
+C      2.18497819     -1.01601117     -3.21504900
+N      3.26930273      0.70866135     -1.03849570
+C      4.48379800      1.39798874     -0.61353982
+H      0.66820738      1.13190122      0.30824768
+H      0.54392027     -0.61330230      0.63520212
+H      0.61978339     -0.02414524     -1.04595671
+H      2.94504424      0.06677135      1.01556723
+H      4.22753611     -1.19599329     -0.55812009
+H      2.77057128     -2.62360924     -1.98233078
+H      2.15216493      0.06529013     -3.36137046
+H      1.76844789     -1.65628829     -3.99310981
+H      4.22751126      2.41785849     -0.29072836
+H      5.17763968      1.46928383     -1.46360513
+H      5.00543592      0.88788013      0.22248263 
+
+16
+-1631.1841056486376 12.257256 13.39495 -8.9622 -6.9735 -9.542 0.9568 0.021 2.177 9.17838 -1.7511 4.339138042 10.446626409 0.302231682
+C      0.99118968      0.02666269     -0.06551607
+C      2.49626470      0.00020749     -0.01795654
+C      3.33396863     -0.75671573     -1.02582868
+C      2.76224935     -1.50332372     -2.11160836
+C      2.28208003     -2.16868136     -3.00751511
+N      3.23356425      0.72164407     -1.05111045
+C      4.43763656      1.42622942     -0.61866549
+H      0.60963084      0.96435015      0.36472496
+H      0.57190726     -0.81058687      0.51139386
+H      0.63588896     -0.05145923     -1.10049372
+H      2.93944403      0.01783172      0.98827666
+H      4.26978641     -1.17118146     -0.62912104
+H      1.86061760     -2.74259678     -3.80702767
+H      4.15556454      2.43118684     -0.27262449
+H      5.12041206      1.53471884     -1.47326357
+H      4.97853510      0.91249394      0.20229571 
+
+20
+-1935.511703965445 12.437009 13.67345 -8.0369 -6.072 -9.507 0.942 0.0516 3.195 8.69936 -2.96658 7.6040737786 10.2760092744 0.108686942
+C      0.95395392     -0.07803264      0.10280420
+C      2.46814858      0.02157720      0.03032360
+C      3.20292090      1.10864168      0.85539659
+C      4.23627452      0.00826540      1.21952116
+C      5.53314728      0.08281730      0.41351292
+N      3.22252868     -1.00426874      0.79126631
+C      3.62387211     -2.22622055      0.12255206
+H      0.59072768     -0.98856686     -0.39768428
+H      0.48309668      0.78377809     -0.39435803
+H      0.62250069     -0.10735712      1.15096639
+H      2.78605465      0.06232188     -1.03563045
+H      2.61262907      1.44376361      1.71907915
+H      3.58661807      1.97839844      0.30682709
+H      4.47960510     -0.08208674      2.29292086
+H      5.34581019      0.22374580     -0.66169534
+H      6.14154670     -0.82532026      0.53827040
+H      6.13509561      0.93499241      0.76343999
+H      2.72688476     -2.81292249     -0.12721460
+H      4.23587122     -2.84037251      0.80059814
+H      4.19766360     -2.06752390     -0.81649616 
+
+15
+-1557.984672902649 11.631145 11.90327 -7.704 -5.8241 -7.791 0.7413 -0.2285 1.101 7.26934 -0.48769 4.6778181996 6.1759658348 0.451330548
+C      0.91949311      0.03603187      0.10458888
+C      2.40795074      0.08004608      0.03168064
+C      3.28990594      1.15054992      0.00627270
+C      4.61699106      0.63606110     -0.06957588
+C      4.52660608     -0.74263738     -0.08891622
+N      3.18117471     -1.06893427     -0.02698002
+N      2.62132098     -2.36069607     -0.02566037
+H      0.52904531      1.06020473      0.15642137
+H      0.56602142     -0.51302695      0.99074455
+H      0.47737319     -0.45711067     -0.77484044
+H      2.99944074      2.19700950      0.03943545
+H      5.53785615      1.21086035     -0.10577033
+H      5.28307141     -1.51934475     -0.14049502
+H      2.91563622     -2.84537483     -0.87873154
+H      2.99606295     -2.87865862      0.77453624 
+
+14
+-1576.9404134974502 11.536315 11.59438 -9.1033 -7.2978 -8.871 0.6738 -0.8394 0.205 8.40683 0.40868 4.3699237658 6.4863647858 0.606763648
+C      0.97536012     -0.02529011      0.05027804
+C      2.47978860     -0.00505338     -0.02562566
+C      3.21008315      1.18749728     -0.09155637
+C      4.60418375      1.13814702     -0.15815536
+C      5.22978488     -0.10982562     -0.15675495
+N      4.55759948     -1.27279076     -0.09475604
+C      3.22030080     -1.20047464     -0.03164163
+H      0.56040433      0.99060884      0.01639339
+H      0.62997376     -0.49954517      0.98106064
+H      0.54163742     -0.59556927     -0.78444725
+H      2.68850027      2.14784840     -0.09078702
+H      5.19754908      2.05246676     -0.21049525
+H      6.32026678     -0.18521251     -0.20775123
+H      2.69350758     -2.16089684      0.01746870 
+
+20
+-1957.7520852371188 12.117774 13.16917 -8.5016 -6.4264 -9.98 0.9085 -0.027 3.094 9.2427 -2.80856 8.1190744268 10.5710339614 0.139899587
+C      0.96316266      0.07248442      0.12726422
+C      2.48994740      0.00974263     -0.00857297
+C      2.98990891     -1.35226795     -0.53473368
+C      2.70192704     -1.54031809     -2.03129322
+C      3.22598526     -0.34682028     -2.83317646
+N      2.63136792      0.88768391     -2.31134055
+C      3.03168518      1.12608412     -0.92041494
+H      0.65192396      1.02367199      0.58541998
+H      0.59050694     -0.74428534      0.76376875
+H      0.47074925      0.00233735     -0.85221408
+H      2.92843025      0.16623835      0.99272246
+H      2.54268934     -2.17186819      0.05080544
+H      4.08155066     -1.41091086     -0.37635762
+H      3.17145212     -2.46810983     -2.39430275
+H      1.61801433     -1.63583804     -2.20454947
+H      4.33981629     -0.33699750     -2.77209711
+H      2.95479346     -0.44756320     -3.89523569
+H      2.90712062      1.68105562     -2.89130295
+H      4.13953321      1.16685163     -0.80412072
+H      2.62998519      2.10114925     -0.60210865 
+
+18
+-1815.2152419505644 12.318027 13.00585 -8.6487 -6.5538 -9.155 0.9443 -0.1786 1.497 8.52144 -0.84722 6.4433292452 6.4433292452 0.427794977
+C      1.00992601      0.06008812      0.10561364
+C      2.34449034     -0.00117684      0.01302116
+C      3.12093533     -1.29419572     -0.02625223
+C      4.13171822     -1.29396511     -1.18812646
+C      4.98103463     -0.02224206     -1.15876053
+N      4.10462933      1.15083549     -1.23229086
+C      3.21113734      1.23441036     -0.06449835
+H      0.48250541      1.01628869      0.12339946
+H      0.40259711     -0.84555443      0.17149860
+H      2.43790439     -2.15418270     -0.09231373
+H      3.68226607     -1.39736329      0.92228856
+H      4.78074382     -2.18129788     -1.12751218
+H      3.59006047     -1.33538447     -2.14648014
+H      5.60747462     -0.03037252     -0.23570657
+H      5.66501735      0.00029710     -2.02074990
+H      4.66840359      2.00143604     -1.28532839
+H      3.78290685      1.31508631      0.89152410
+H      2.58598912      2.13429291     -0.15662619 
+
+18
+-1818.6431586202827 12.239259 13.02951 -8.5847 -6.4467 -8.645 0.9129 -0.0376 1.552 8.08778 -0.86093 6.0050883296 6.0050883296 0.349502008
+C      0.96675431     -0.03682717      0.08148999
+C      2.46491397      0.04372227      0.00351137
+C      3.14324666      1.20208921      0.05872041
+C      4.64532160      1.27888027      0.02547370
+C      5.26547930     -0.09417131      0.28985528
+N      4.58652004     -1.08727912     -0.54706489
+C      3.19269654     -1.27252597     -0.13788166
+H      0.64469053     -0.69086118      0.90910138
+H      0.54137421     -0.46451796     -0.84185789
+H      0.51949018      0.95367509      0.23922675
+H      2.58787425      2.14246901      0.13807492
+H      4.98244256      1.66004771     -0.95499669
+H      5.00265604      1.99989943      0.77999199
+H      6.33520281     -0.09112909      0.03307567
+H      5.18189980     -0.32159240      1.37676188
+H      5.07699842     -1.98138670     -0.49809681
+H      3.08834893     -1.82579385      0.82648498
+H      2.68321985     -1.88626824     -0.90147041 
+
+18
+-1816.8881766665047 12.2161 13.10388 -8.4131 -6.2178 -8.284 0.8265 -0.0724 1.539 7.76036 -0.82049 5.5712365184 5.5712365184 0.244165821
+C      0.95596557      0.09897136      0.02185644
+C      2.44553807      0.00440278     -0.05787738
+C      3.20805227     -1.10157507     -0.13954529
+C      2.76275168     -2.53706578     -0.17092204
+C      4.67271920     -0.71760423     -0.10624435
+N      4.71058686      0.76009708     -0.19849124
+C      3.32662409      1.23193955      0.04546881
+H      0.47512932     -0.88785231     -0.01579888
+H      0.54726061      0.70703461     -0.80253818
+H      0.64081719      0.59218669      0.95714301
+H      3.62328635     -3.21950027     -0.21042303
+H      2.13666970     -2.75107080     -1.05093196
+H      2.17269883     -2.80650865      0.71924199
+H      5.13588868     -1.06543253      0.84022716
+H      5.25642128     -1.17901528     -0.92153439
+H      4.96294806      1.00832434     -1.15513494
+H      3.04946329      2.02583130     -0.66966031
+H      3.23691896      1.68146723      1.05593457 
+
+18
+-1822.4742794744063 12.169463 12.97561 -8.8258 -6.6553 -8.647 0.8736 -0.0331 1.483 8.09321 -0.79808 5.8822306022 5.8822306022 0.310493311
+C      0.98174006      0.02323003      0.02604925
+C      2.47555708     -0.02258445     -0.02556266
+C      3.25976076     -1.11397753     -0.08831127
+C      4.72438097     -0.76326761     -0.06585246
+C      4.73614359      0.76787925     -0.37160302
+N      4.96413934      1.11725741     -1.78379817
+C      3.31754340      1.23460618      0.03931789
+H      0.54195878     -0.98221457     -0.01995732
+H      0.57334444      0.61814061     -0.80734481
+H      0.63300898      0.50754317      0.95328803
+H      2.88711728     -2.14034641     -0.11812217
+H      5.16431205     -0.97726468      0.92643997
+H      5.32627764     -1.32422525     -0.80059539
+H      5.51382824      1.28143339      0.21378439
+H      4.26321980      0.63931641     -2.36079764
+H      5.87164567      0.75123798     -2.08531636
+H      2.96325503      2.03530945     -0.63027378
+H      3.30548688      1.65078660      1.06291551 
+
+20
+-1954.0768980243024 12.093351 13.12804 -8.6302 -6.5889 -10.054 0.8705 -0.0745 2.815 9.32943 -2.47583 8.2232350654 10.6857458086 0.132783497
+C      1.01519670     -0.00693902      0.16342528
+C      2.53262044     -0.00098437     -0.05866447
+C      2.83933249      0.01612467     -1.56550585
+C      3.24026284      1.19542311      0.65895699
+C      4.34251672      0.55156568      1.54298957
+N      4.55631290     -0.82289898      1.05109744
+C      3.21693010     -1.23386189      0.61126288
+H      0.77248407      0.00413159      1.23713641
+H      0.55336032     -0.90527104     -0.27651859
+H      0.53820022      0.87035750     -0.29995634
+H      3.92313842     -0.03684827     -1.75558318
+H      2.46908117      0.94096523     -2.03457347
+H      2.36373853     -0.83537953     -2.07715883
+H      2.52922470      1.77932950      1.26272306
+H      3.67608841      1.88438582     -0.08092844
+H      5.28799410      1.11181802      1.54656792
+H      3.99788682      0.48702367      2.58910568
+H      5.17268645     -0.78679567      0.23318006
+H      3.27235378     -2.10757015     -0.05470231
+H      2.64028082     -1.53250586      1.50536616 
+
+20
+-1944.5390513964362 12.429819 13.6335 -8.8699 -6.7382 -10.284 0.8759 -0.0502 2.858 9.67564 -2.54753 8.366389301 10.6391394712 0.092119335
+C      1.08980928     -0.03682484      0.48438463
+C      2.43581181     -0.00911395     -0.24644385
+C      2.22835195      0.04891041     -1.75678101
+C      3.40967645      1.05433584      0.35839369
+C      4.04976188     -0.04949659      1.23403801
+N      5.48438263      0.05205230      1.46107881
+C      3.41179599     -1.11103931      0.28006873
+H      1.21551667     -0.07770971      1.57657146
+H      0.49897038     -0.91618801      0.18284103
+H      0.49915907      0.86276786      0.24955140
+H      3.19014283      0.06174900     -2.29115124
+H      1.67052804      0.95446022     -2.04561217
+H      1.65562454     -0.82233308     -2.11299523
+H      2.97354884      1.92741753      0.86519673
+H      4.12872568      1.40824109     -0.39789414
+H      3.56346214     -0.08632365      2.22144213
+H      5.98436242     -0.01356536      0.56942754
+H      5.81385923     -0.72609722      2.03814741
+H      4.13015859     -1.41179658     -0.49990326
+H      2.96933159     -2.01559598      0.72474933 
+
+20
+-1944.4991256157064 12.426077 13.69822 -8.8657 -6.7658 -10.265 0.8733 -0.0676 2.928 9.67077 -2.67612 8.2385101406 9.7912612102 0.103945451
+C      0.94114748     -0.00852193      0.11573047
+C      2.45940675     -0.00768280      0.03635829
+C      3.25300594      1.06299454      0.83798861
+C      4.31322168     -0.01721562      1.21289730
+C      4.80193274     -0.04825720      2.65427681
+N      5.48376914      0.09411246      0.32678972
+C      3.25199017     -1.10237421      0.80479199
+H      0.51272325     -0.88621864     -0.39230593
+H      0.51448774      0.89039885     -0.35554269
+H      0.60359485     -0.02971890      1.16409110
+H      2.76859776      0.00965658     -1.02222331
+H      2.69112083      1.39531881      1.72467646
+H      3.62861411      1.94688734      0.30225419
+H      3.95828188     -0.09300019      3.35710366
+H      5.40065239      0.84751747      2.87405889
+H      5.43605788     -0.93183388      2.83487205
+H      5.18486647      0.12782707     -0.65196426
+H      6.05754862     -0.75053716      0.41625646
+H      3.62070607     -1.97047492      0.23800275
+H      2.68310426     -1.46255768      1.67721743 
+
+20
+-1940.7485824481448 12.374793 13.77341 -9.2044 -6.8969 -10.589 0.915 -0.0238 3.047 9.95007 -2.82605 8.7248080298 9.8676861806 0.118382867
+C      0.87405738      0.01619814      0.11980356
+C      2.39111462      0.02351398      0.02308332
+C      3.18692894      1.06223332      0.86468596
+C      4.22598802     -0.04560637      1.22197863
+C      5.50492001     -0.00713732      0.39266555
+N      6.37301932      1.09900732      0.82563700
+C      3.19425202     -1.10396130      0.73458386
+H      0.44105413     -0.84079042     -0.41893057
+H      0.44046087      0.93309946     -0.30877828
+H      0.54942954     -0.04888277      1.17051085
+H      2.69382409      0.08647076     -1.03476989
+H      2.61655945      1.38726735      1.74821686
+H      3.55345496      1.96026451      0.34254605
+H      4.50265181     -0.09796864      2.28558637
+H      5.23835877      0.02378936     -0.68598759
+H      6.05547660     -0.94944119      0.55414195
+H      5.89806208      1.99064248      0.65906994
+H      7.22161221      1.12152418      0.25571560
+H      3.57754754     -1.92515046      0.10961210
+H      2.62656763     -1.53785239      1.57182873 
+
+20
+-1959.941664919568 12.261862 13.49208 -8.9235 -6.7785 -10.417 0.9175 -0.0105 3.016 9.75901 -2.72068 8.4469058094 10.9161861882 0.099122094
+C      0.93539993      0.03695361     -0.02224563
+C      2.46089322      0.02599033      0.04019433
+C      3.07822821      1.12765020      0.92373009
+C      4.51421288      0.64598270      1.13965507
+C      4.37983214     -0.87364064      1.37754191
+N      5.62523383     -1.57603807      1.04571552
+C      3.07357519     -1.27791507      0.61056266
+H      0.55065732     -0.77090911     -0.66279097
+H      0.55603785      0.98931191     -0.42341323
+H      0.50458688     -0.09952043      0.98295586
+H      2.85124490      0.17201685     -0.98402072
+H      2.54102018      1.17274780      1.88855125
+H      3.01323607      2.12659415      0.46687080
+H      5.10533460      0.81285119      0.22118667
+H      5.04432965      1.14922059      1.95987242
+H      4.21569327     -1.04044051      2.45559105
+H      5.79520974     -1.51371546      0.03670189
+H      5.53498420     -2.57241698      1.25931591
+H      3.29583803     -2.00900738     -0.18256593
+H      2.35958191     -1.76340569      1.29685106 
+
+15
+-1577.8536638661021 11.262265 12.23067 -8.589 -6.682 -8.807 0.7723 -0.105 0.628 8.07865 -0.04335 5.0290829362 11.5516144382 0.362468178
+C      0.92322304     -0.05359682     -0.01015516
+C      2.41186127      0.07106448      0.00020137
+C      3.25553450      1.17559702      0.00784400
+C      4.57576388      0.65613309      0.01455985
+C      5.87057295      1.41065908      0.02543674
+N      4.56587359     -0.68672255      0.01152826
+N      3.24671607     -1.00909316      0.00281797
+H      0.46390836      0.94210591     -0.00209862
+H      0.55161280     -0.59902490      0.87091349
+H      0.56226693     -0.57977222     -0.90725913
+H      2.95311422      2.21870678      0.00827353
+H      5.68994681      2.49283475      0.01152471
+H      6.48565948      1.15403828     -0.84895487
+H      6.46015327      1.17317543      0.92266940
+H      2.98461284     -1.98944518     -0.00132154 
+
+13
+-1430.2333843682102 10.831245 10.85388 -8.8048 -6.8729 -9.631 0.0661 -1.5381 -0.407 9.24689 0.93228 3.6068891246 6.3061015404 0.760447822
+C      1.01007744     -0.04086987     -0.07077700
+C      2.50579797      0.03396807      0.05369542
+C      3.18743385      1.26399147      0.07962067
+C      4.56672185      1.23578719      0.19477194
+C      5.17246909     -0.02320457      0.27550153
+N      4.48913981     -1.17544417      0.24746134
+N      3.15421922     -1.14619439      0.13705267
+H      0.69192517     -1.08903317     -0.03703217
+H      0.67179163      0.40268731     -1.01897834
+H      0.51739946      0.50986963      0.74378216
+H      2.63691231      2.20466071      0.00999474
+H      5.16350460      2.14891340      0.22197972
+H      6.25614759     -0.13086160      0.36757732 
+
+15
+-1574.4117059747618 12.045475 12.06506 -8.1363 -6.2497 -8.737 0.7865 -0.2102 0.778 8.05364 -0.2158 5.0580212686 5.4343187786 0.455813106
+C      1.06041978     -0.10830723      0.20588213
+C      2.37839878      0.00368090     -0.02984982
+C      3.21457691      1.27119999     -0.07582825
+C      4.53368956      0.84249658     -0.74588391
+C      4.55457627     -0.67357180     -0.63778673
+N      5.58274302     -1.39955389     -0.88435722
+N      3.26644237     -1.05190376     -0.25960749
+H      0.55629924     -1.07408191      0.23751110
+H      0.46183859      0.78287464      0.38268519
+H      3.39523987      1.61547221      0.95438446
+H      2.69350239      2.07744567     -0.60652868
+H      4.55195860      1.10510528     -1.81455620
+H      5.43223180      1.27160092     -0.28786453
+H      5.37799229     -2.40204995     -0.77310013
+H      2.97853052     -2.02546765     -0.21437994 
+
+15
+-1575.5134133806018 11.598245 12.05665 -7.6917 -5.7804 -8.325 0.7865 -0.1013 0.909 7.72387 -0.36752 4.914681054 11.6605237406 0.277748658
+C      1.02815627      0.09142019      0.08618303
+C      2.50444317     -0.06854671     -0.04400632
+C      3.26432323     -1.18481610     -0.06079206
+C      4.71235950     -0.79013032     -0.20543750
+C      4.66501273      0.74233118     -0.29290435
+N      5.57812319      1.63265989     -0.45125543
+N      3.32058151      1.07125530     -0.16188792
+H      0.54528093     -0.88901156      0.17259269
+H      0.60343449      0.60913561     -0.78852442
+H      0.76934722      0.68427795      0.97765333
+H      2.89238747     -2.20139582      0.02825308
+H      5.33158917     -1.09730745      0.65394914
+H      5.19186545     -1.20591227     -1.10672882
+H      6.49818965      1.18505805     -0.52695639
+H      2.99250601      2.02860208     -0.23663808 
+
+17
+-1686.1373139728732 11.302398 11.87827 -8.2269 -6.2319 -9.004 0.8406 -0.1193 0.756 8.52172 -0.14066 5.131098617 5.2453021216 0.154905405
+C      1.00025955      0.06286876     -0.05919687
+C      2.53118130     -0.03638817      0.04244925
+C      2.99260690     -0.02442787      1.49964216
+C      3.06007145     -1.24886815     -0.76979652
+C      3.36364641     -0.59714004     -2.09440283
+N      3.40134779      0.69341288     -2.03723166
+N      3.17856074      1.08312802     -0.71970468
+H      0.68018093      0.06658216     -1.11123437
+H      0.63693211      0.98480807      0.42032374
+H      0.51763380     -0.78823516      0.44498356
+H      4.08833450     -0.07052776      1.55604458
+H      2.57289480     -0.87996678      2.04900241
+H      2.66248750      0.89316759      2.00954497
+H      2.33106907     -2.07008236     -0.83366538
+H      3.98257215     -1.65911324     -0.31997009
+H      3.60049889     -1.10942635     -3.02645044
+H      2.66581212      1.96699839     -0.70290782 
+
+17
+-1689.8878778116455 11.552234 12.26777 -8.0126 -6.0275 -8.829 0.8552 -0.0808 0.932 8.34053 -0.25872 5.1770850244 5.2904578228 0.150928263
+C      1.03876526      0.08507192      0.03486617
+C      2.56399458     -0.04478279      0.01090513
+C      3.04992959     -1.27541954     -0.78078774
+C      3.33800221     -0.65581215     -2.13365984
+C      3.61008451     -1.42622941     -3.38058713
+N      3.39703077      0.63519940     -2.08677679
+N      3.22013441      1.05169386     -0.76044340
+H      0.72985821      1.01607603      0.53315239
+H      0.58468480     -0.75269825      0.58567992
+H      0.63188112      0.08666109     -0.98753255
+H      2.95661261     -0.04124047      1.03873548
+H      2.30495385     -2.08471922     -0.82034805
+H      3.97615218     -1.69885508     -0.35324484
+H      3.79144453     -0.74057151     -4.21709231
+H      2.76501351     -2.08564096     -3.63529118
+H      4.49410999     -2.07492137     -3.26156756
+H      2.70650788      1.93528844     -0.75365768 
+
+19
+-1811.8704792814783 11.927806 13.16234 -8.6014 -6.5063 -10.035 0.8462 -0.117 3.173 9.3607 -2.96405 8.2033229138 10.2682601494 0.097770886
+C      0.92603156     -0.08798336      0.15850126
+C      2.43228645      0.03238680      0.00750619
+C      3.17814087      1.13743059      0.80274511
+C      4.21082471      0.04315593      1.18877371
+C      5.51111855      0.07830245      0.38571948
+N      6.39082787      1.14868997      0.87639889
+N      3.22684476     -0.99056319      0.75433712
+H      0.55424278     -1.00522031     -0.32281761
+H      0.41625406      0.76846020     -0.30930293
+H      0.65097244     -0.12706589      1.22243270
+H      2.69349835      0.08056810     -1.06752623
+H      2.59666048      1.49803155      1.66206339
+H      3.54935991      1.99838615      0.22968887
+H      4.46552453     -0.01640358      2.25981548
+H      5.26699773      0.14418402     -0.69655994
+H      6.03596155     -0.88036525      0.53932488
+H      5.98357116      2.06174588      0.65705844
+H      7.29021845      1.11588933      0.39201315
+H      3.62270378     -1.73818938      0.17666804 
+
+17
+-1686.8018502184539 11.55176 12.0768 -8.1415 -6.1624 -8.919 0.9306 -0.113 0.862 8.37837 -0.24354 4.7399723814 11.099970636 0.259098451
+C      1.00069852     -0.06190752      0.48637984
+C      2.39688435      0.00687758     -0.11985199
+C      2.64560331      1.29043834     -0.91817328
+C      4.05331453      1.26014085     -1.52846206
+C      4.43284681     -0.13100812     -1.96817194
+N      3.76826431     -1.21594851     -1.74367278
+N      2.58774033     -1.12219312     -1.03989523
+H      0.85362117      0.75659793      1.20503682
+H      0.84421892     -1.00910738      1.02491989
+H      0.23391210      0.01737676     -0.29783527
+H      3.15272775     -0.04220572      0.69416667
+H      2.51266102      2.17070309     -0.27167988
+H      1.88803892      1.34879810     -1.71609796
+H      4.80519066      1.63091338     -0.80884006
+H      4.11430437      1.94208205     -2.39362763
+H      5.34039231     -0.26199155     -2.56561866
+H      2.37450063     -2.03055616     -0.63032648 
+
+17
+-1711.7466379185753 11.614759 12.41888 -8.5376 -6.6147 -9.576 0.7595 -0.1746 1.171 8.77468 -0.52722 5.0697999386 6.186839407 0.184561818
+C      0.97124878     -0.02999097      0.05034387
+C      2.49445867     -0.01083942      0.07123000
+C      3.11285962      1.18160665      0.82744082
+C      4.48117635      0.65748699      1.28574335
+C      4.28947313     -0.84775315      1.40691113
+N      5.14615208     -1.62620474      1.96675827
+N      3.06364386     -1.14131445      0.81702900
+H      0.58506254     -0.91777780     -0.47221274
+H      0.58605414      0.85588234     -0.47528332
+H      0.57295560     -0.03143897      1.07547138
+H      2.86781862     -0.01179497     -0.97405617
+H      2.48147833      1.41367696      1.69989096
+H      3.17028050      2.08073268      0.19996391
+H      5.25973211      0.83957450      0.52765594
+H      4.83964224      1.08445083      2.23005790
+H      4.84326039     -2.60959746      1.92136803
+H      2.87691304     -2.09304904      0.51067768 
+
+15
+-1581.8952252393044 11.657921 12.23329 -7.4767 -5.5495 -7.526 0.8318 -0.0823 1.169 7.10327 -0.51959 4.5189549378 6.2454103934 0.395472159
+C      0.93948089     -0.00839264     -0.05219051
+C      2.43041161      0.05483373     -0.01036902
+C      3.29522871      1.13457934      0.08799409
+C      4.63264820      0.63691714      0.09287281
+C      4.56182936     -0.74356018     -0.00954815
+N      5.52415817     -1.78523109     -0.08060605
+N      3.22003871     -1.07775932     -0.07314540
+H      0.52608543      1.00520676      0.02331445
+H      0.52344631     -0.59821312      0.78067542
+H      0.56501212     -0.44885358     -0.99063735
+H      2.98774421      2.17495819      0.15527647
+H      5.54739073      1.21771841      0.17375131
+H      5.89730018     -2.02163228      0.84223518
+H      6.31318038     -1.51302633     -0.66823499
+H      2.89673497     -2.03128503     -0.20185827 
+
+18
+-1793.6296128404495 12.163667 12.9954 -8.7081 -6.6471 -9.391 1.3432 0.0013 1.348 8.85559 -0.75435 6.5567020436 6.5567020436 0.410962335
+C      0.76538505      0.28157976      0.32891688
+C      2.24782387      0.06005160      0.02396543
+C      3.26536035      0.98735889      0.77756333
+C      4.04988698     -0.30321393      1.10124548
+N      2.83665673     -1.09675798      0.76373277
+C      2.48354008      0.09575671     -1.46857921
+C      3.08964285     -0.83452183     -2.21354650
+H      0.60733437      0.29306319      1.41555376
+H      0.15780556     -0.52842119     -0.10153507
+H      0.41163518      1.23409537     -0.09437864
+H      2.81244297      1.44846928      1.66550519
+H      3.77547555      1.75096880      0.17808757
+H      4.90174218     -0.45244518      0.41498649
+H      4.39611734     -0.43455090      2.13788660
+H      3.00122695     -1.93333429      0.19798688
+H      2.09977379      0.99767553     -1.96165440
+H      3.49334511     -1.75540714     -1.78364442
+H      3.20587511     -0.71031667     -3.29074213 
+
+16
+-1637.3832937739141 11.822733 12.82245 -8.8629 -6.841 -9.597 0.9292 0.0564 2.302 9.24258 -1.8561 4.3230942536 10.6242611512 0.179404165
+C      0.89536589     -0.03105088      0.16830725
+C      2.41287050      0.03068729     -0.00004626
+C      3.19093353      1.10983831      0.83029346
+C      4.18016479     -0.01635363      1.19858081
+N      3.15642405     -1.02004014      0.78604829
+C      2.78804639      0.05176022     -1.41584046
+C      3.10855125      0.02720506     -2.58853383
+H      0.65014918     -0.06099112      1.23805214
+H      0.49163899     -0.93420689     -0.31043796
+H      0.41811692      0.84504354     -0.29340126
+H      2.59185314      1.44930160      1.68530617
+H      3.57919633      1.96999024      0.27499404
+H      5.07991400      0.00131399      0.55978799
+H      4.48550371     -0.10050359      2.25205654
+H      3.51703253     -1.78150703      0.20463371
+H      3.38759882      0.00906302     -3.62228064 
+
+18
+-1793.6006795057197 12.297874 13.26714 -8.6639 -6.6644 -9.552 1.3648 -0.0945 1.302 9.04373 -0.71256 6.6613090318 6.6613090318 0.41627454
+C      0.77092311     -0.11599091      0.30951678
+C      2.25991505     -0.01199549      0.03589054
+C      3.07416636      1.11282397      0.72458753
+C      4.14202004      0.03529398      1.03591145
+N      3.10461568     -1.02077445      0.75308816
+C      5.33838372     -0.04256789      0.13075816
+C      5.76450617      0.87987772     -0.74041016
+H      0.35911421     -1.04870998     -0.10408581
+H      0.23017582      0.72443387     -0.15183684
+H      0.57873186     -0.11099540      1.39226193
+H      2.44420740     -0.00427431     -1.05523667
+H      2.58324368      1.47816676      1.63658655
+H      3.37438756      1.96759053      0.10748188
+H      4.48372818     -0.00356076      2.08586484
+H      3.44882753     -1.77688338      0.15257252
+H      5.90343987     -0.97994418      0.21966002
+H      5.26167412      1.84143972     -0.86312052
+H      6.64669964      0.70662021     -1.35818037 
+
+16
+-1638.087308421671 11.964022 13.07035 -8.8886 -6.8771 -9.645 0.946 0.0332 2.296 9.3038 -1.85578 4.3465028104 10.279989225 0.276146823
+C      0.93112808     -0.03660082      0.09502776
+C      2.44309969      0.05149653      0.01314469
+C      3.18659398      1.10700147      0.87019698
+C      4.20530212     -0.02366372      1.21500795
+N      3.18202367     -1.02045369      0.75561105
+C      5.43307510      0.00941201      0.43002845
+C      6.44817682     -0.00241316     -0.23901276
+H      0.55900993     -0.92266519     -0.44089020
+H      0.46447223      0.85060080     -0.35952855
+H      0.60693386     -0.11094996      1.14303875
+H      2.76315794      0.12864281     -1.04323622
+H      2.60887597      1.40670552      1.75479394
+H      3.58634662      1.98971245      0.36026377
+H      4.45704072     -0.13193935      2.28296972
+H      3.57293231     -1.75879026      0.16376376
+H      7.34532093     -0.01095544     -0.82363910 
+
+15
+-1548.2928409403871 10.622074 11.68467 -9.496 -7.4465 -10.599 0.8903 -0.0922 1.448 9.90523 -1.01956 5.3399282368 11.880896457 0.187601556
+C      0.91688097     -0.03254426      0.10784049
+C      2.43833551      0.03013459      0.01127906
+C      3.20017032      1.11228592      0.84845057
+C      4.18884557     -0.01253773      1.22796684
+N      3.16625139     -1.01251793      0.80300518
+C      2.86777509      0.05776310     -1.39854861
+N      3.23086673      0.03423561     -2.50881008
+H      0.63028637     -0.06632954      1.16647997
+H      0.53252092     -0.93334593     -0.38995493
+H      0.45984762      0.84603897     -0.36848728
+H      2.58300779      1.44259618      1.69332951
+H      3.59083201      1.97737387      0.30324363
+H      5.09456983      0.00455902      0.59842572
+H      4.48024126     -0.09811508      2.28440668
+H      3.51991863     -1.79850678      0.25113326 
+
+17
+-1674.2597585935232 11.882318 12.86548 -9.5315 -7.5656 -10.829 1.6662 -0.0907 0.912 10.15283 -0.35964 4.9528811406 11.3162518144 0.329367678
+C      0.86914744      0.08257917     -0.23777423
+C      2.37649935      0.07869205     -0.25282642
+C      3.21932948     -0.77807481     -1.12627271
+C      2.69499789     -1.77325027     -2.12980413
+N      3.04233450      0.67053360     -1.45438278
+C      4.17558136      1.48553342     -1.16088393
+N      4.53010524      2.51048509     -1.82645249
+H      0.49221599      1.07427724      0.05097109
+H      0.49224864     -0.64899592      0.49279629
+H      0.45357489     -0.16146969     -1.22269615
+H      2.83988023      0.34562501      0.70606977
+H      4.19873250     -1.03558249     -0.70211304
+H      1.72972951     -1.45976803     -2.54489843
+H      2.57051272     -2.76048845     -1.65987877
+H      3.40173856     -1.88256784     -2.96494644
+H      4.78302961      1.19030398     -0.28270149
+H      3.86462209      2.64810795     -2.60518613 
+
+15
+-1548.7199703392823 10.748318 11.9316 -9.5468 -7.4999 -10.661 0.9044 -0.1718 1.401 9.95526 -0.99446 5.3520292704 12.1835958774 0.170069719
+C      0.95565352     -0.03574125      0.07176071
+C      2.46721146      0.05142870      0.01366062
+C      3.19944151      1.10806812      0.88156810
+C      4.21027922     -0.02461460      1.23421285
+N      3.19593521     -1.01555237      0.77524719
+C      5.43354363      0.01571019      0.42767913
+N      6.39711087      0.00501435     -0.23270646
+H      0.59214360     -0.92275284     -0.46766063
+H      0.49890092      0.84984437     -0.39489722
+H      0.61363383     -0.10480810      1.11417727
+H      2.80811273      0.12367340     -1.03621921
+H      2.61607272      1.39740838      1.76493608
+H      3.60111792      1.99511524      0.38168223
+H      4.49269765     -0.13015128      2.29369845
+H      3.57405521     -1.78114232      0.21087088 
+
+17
+-1682.243880119664 11.812891 12.43772 -8.2092 -6.3429 -9.133 0.7717 -0.1424 1.119 8.23507 -0.52864 5.075304917 8.94187032 0.21332196
+C      0.89777173      0.26437566      0.36811659
+C      2.36217001      0.13128415     -0.02762102
+C      3.36655157      1.07154823      0.70752079
+C      4.01744075     -0.18685295      1.34817511
+N      3.09515309     -1.01228149      0.56503955
+C      2.77762426     -2.33411770      0.69887582
+N      3.34356758     -3.23067985      1.43594905
+H      0.28951956     -0.54623812     -0.05761006
+H      0.49425600      1.21621197     -0.00880409
+H      0.78109112      0.24428220      1.46161483
+H      2.45920146      0.16007800     -1.12751213
+H      2.89459105      1.75740461      1.42168887
+H      4.03041213      1.63682274      0.04336146
+H      5.08092278     -0.34994548      1.10803857
+H      3.88132466     -0.28285974      2.43981203
+H      1.93475371     -2.63642499      0.05880623
+H      4.11680854     -2.81974724      1.98148838 
+
+17
+-1648.087799758751 11.902065 12.57824 -8.3029 -6.3476 -10.054 1.3622 -0.4451 0.702 10.17711 -0.11803 4.6522150906 6.9343881968 0.56478199
+C      1.16669142     -0.17425820      0.06347978
+C      2.66715640     -0.28738222      0.16463007
+C      3.50128421     -1.12590220     -0.73296420
+C      2.95105934     -1.96784969     -1.85676513
+N      3.59615812      0.38091652     -0.82445530
+N      2.86151083      0.87029413     -1.96443443
+C      3.40781560      1.92385150     -2.43843162
+H      0.83577137      0.82544219      0.38234156
+H      0.69896130     -0.91041008      0.73415136
+H      0.79454406     -0.33860753     -0.95258865
+H      3.05121463     -0.13547400      1.17870776
+H      4.42811206     -1.51967051     -0.30300568
+H      2.01927972     -1.56983294     -2.27061060
+H      2.76722135     -2.98929296     -1.49160553
+H      3.67988322     -2.03317727     -2.67842750
+H      2.93653698      2.38780192     -3.30964911
+H      4.31700938      2.36558134     -2.00419277 
+
+17
+-1659.84848191342 12.267185 12.6572 -8.1116 -6.2339 -8.871 1.3204 -0.1241 0.765 8.22358 -0.19583 4.7216100548 5.2639372174 0.318645577
+C      0.81744910      0.44276052     -0.00729668
+C      2.29150569      0.10938881      0.10580163
+C      3.23952442      1.05318500      0.90110153
+C      3.81546567     -0.20315431      1.59590946
+N      2.64283371     -0.95697035      1.07914638
+N      2.63412269     -2.24965184      0.69703906
+C      3.45464128     -3.07457558      1.25863077
+H      0.26074642     -0.41544504     -0.40918543
+H      0.66591735      1.29559138     -0.68544017
+H      0.40004336      0.69572463      0.97801288
+H      2.71400640     -0.12792628     -0.88852222
+H      2.69314187      1.70916705      1.59138243
+H      3.94312709      1.64582319      0.30626525
+H      4.76019554     -0.56404747      1.14633655
+H      3.91644093     -0.18769788      2.69113606
+H      3.39146280     -4.12073406      0.95866021
+H      4.18216567     -2.78581777      2.03031230 
+
+18
+-1802.21694882426 11.318487 12.40462 -8.6967 -6.6265 -10.366 0.9142 0.0059 2.918 9.75196 -2.58338 8.3729109646 11.5570574236 0.139775558
+C      0.96507651      0.14137026      0.26353281
+C      2.46162686     -0.05977423     -0.00838295
+C      2.82032702     -1.48205789     -0.51877053
+C      3.00217948     -1.33577871     -2.04134588
+N      3.47282647      0.05800449     -2.28782401
+C      2.35402858      1.01742714     -2.39248664
+C      3.05800062      0.84826941     -1.09283552
+H      0.74050893      1.19165057      0.50055853
+H      0.64184057     -0.47190709      1.11774313
+H      0.34731341     -0.14511036     -0.60041138
+H      3.00097765      0.13837270      0.93136293
+H      2.06018732     -2.23163983     -0.25205628
+H      3.77149095     -1.80362433     -0.06848416
+H      3.75656204     -2.03291660     -2.43374575
+H      2.06216210     -1.52848430     -2.58562758
+H      2.55503975      1.89602113     -3.01150387
+H      1.34196824      0.61280134     -2.49096086
+H      3.76941350      1.61624630     -0.77602200 
+
+16
+-1664.6302000477795 11.618867 12.2356 -8.6183 -6.652 -9.033 1.3969 -0.1163 1.324 8.44005 -0.67931 6.2219026478 6.2219026478 0.421900981
+C      1.17897023      0.10592862      0.68518309
+C      2.30400244     -0.03294522     -0.02927529
+C      2.86013207     -1.31562388     -0.62092904
+C      4.38472376     -1.05846680     -0.64547385
+N      4.61495323      0.41166440     -0.65204640
+C      3.84830168      1.10028932     -1.69733685
+C      3.30109066      1.03379741     -0.30255397
+H      0.87310794      1.07719492      1.07838498
+H      0.52716548     -0.74372038      0.89289757
+H      2.45733900     -1.47505867     -1.63404926
+H      2.59088016     -2.19852029     -0.02676491
+H      4.85429697     -1.44624871      0.27108947
+H      4.89329348     -1.51528068     -1.50689150
+H      4.29281556      2.03637715     -2.04220182
+H      3.34787140      0.51240415     -2.47256147
+H      3.32468594      1.92180866      0.33282923 
+
+16
+-1666.836857396699 11.359949 12.21694 -8.3712 -6.3161 -8.503 0.9611 0.0406 1.408 8.0056 -0.73737 5.6679331998 5.6679331998 0.260004579
+C      0.97989983     -0.09749762     -0.13562111
+C      2.44118495      0.14929083      0.05951813
+C      3.15655905      1.24859009     -0.23883012
+C      4.60021361      1.08385315      0.16731870
+N      4.72801008     -0.29939809      0.70432585
+C      4.43939040     -1.35011546     -0.28675330
+C      3.35735990     -0.88477135      0.63437697
+H      0.80731862     -0.95431708     -0.80678522
+H      0.47409881      0.78019220     -0.55810922
+H      0.49274747     -0.34538730      0.82137723
+H      2.76465424      2.14435175     -0.72385363
+H      5.30855137      1.22909123     -0.66625791
+H      4.88989681      1.79745482      0.95909679
+H      4.95755596     -2.29365673     -0.09702186
+H      4.33636557     -1.06652168     -1.33965203
+H      3.02896332     -1.50872875      1.47174070 
+
+20
+-1956.4558234002295 12.17891 13.40312 -8.5666 -6.5422 -10.022 0.9328 0.0132 2.995 9.28252 -2.69183 8.153133381 10.7317198174 0.147259335
+C      1.02772038     -0.03818967     -0.03499475
+C      2.55433109      0.01436860     -0.02166477
+C      3.14293224      1.18531811      0.80026843
+C      4.44200089      0.60976173      1.44150835
+N      4.60806440     -0.77851883      0.95931901
+C      3.24949751     -1.22448053      0.59781204
+C      3.27627965     -2.46276463     -0.28557541
+H      0.65466328     -0.88727974     -0.62755392
+H      0.59693177      0.87724523     -0.46660549
+H      0.63275146     -0.14090139      0.98863914
+H      2.91625102      0.09329079     -1.06446538
+H      2.43099866      1.50039124      1.57986770
+H      3.33986518      2.06529120      0.17085807
+H      5.33908293      1.19872170      1.20439411
+H      4.34764857      0.59488960      2.53976644
+H      5.16423356     -0.76064458      0.09743784
+H      2.72568065     -1.47086734      1.54410137
+H      3.78964778     -2.25029629     -1.23823561
+H      2.25858988     -2.80305563     -0.52292032
+H      3.80462911     -3.28730957      0.21238315 
+
+20
+-1943.1269577887251 12.336814 13.62332 -8.8085 -6.6743 -10.22 0.8804 -0.049 2.921 9.64827 -2.65654 8.3184439148 10.8306482468 0.110392598
+C      0.92235571     -0.02132246      0.05340956
+C      2.44273744     -0.00741361      0.04010047
+C      3.19944175      1.06042511      0.87980646
+C      4.26001019     -0.00686697      1.26290298
+N      5.49377150      0.14996185      0.49330550
+C      3.21601906     -1.10739126      0.82548242
+C      3.67729872     -2.36259603      0.10514418
+H      0.52192020     -0.90359607     -0.46983836
+H      0.50585496      0.87163526     -0.43798451
+H      0.54189219     -0.04235341      1.08729876
+H      2.80096028      0.01544698     -1.00477445
+H      2.60803159      1.38025464      1.75124848
+H      3.58203115      1.95363735      0.36486185
+H      4.54070707     -0.04292686      2.32692914
+H      5.28848113      0.21489587     -0.50789589
+H      6.09514051     -0.67010452      0.61157275
+H      2.62218154     -1.38388278      1.71536504
+H      4.32252173     -2.11964930     -0.75405372
+H      2.81917552     -2.93555389     -0.27874150
+H      4.24505778     -3.03019992      0.77230082 
+
+13
+-1430.8963655103423 11.926999 11.30156 -7.6178 -5.7971 -8.103 -0.0181 -1.6119 -0.39 7.61573 0.91204 3.9148331528 6.5888392148 0.390013771
+C      1.01724853      0.02918468     -0.17297695
+C      2.35016001     -0.05213722      0.02423673
+C      3.19351425     -1.21939013      0.24195150
+C      4.47269833     -0.78670466      0.38308502
+N      4.54244615      0.60346826      0.26835853
+C      3.26434138      1.14447484      0.05362940
+N      2.90400973      2.37063528     -0.09121172
+H      0.54821921      1.00194296     -0.32099359
+H      0.39099957     -0.86282312     -0.18730048
+H      2.86001176     -2.25128036      0.28099931
+H      5.37872921     -1.36126485      0.55814043
+H      5.38611539      1.15427074      0.37003724
+H      3.70507646      3.01250357     -0.03444541 
+
+15
+-1568.0863636336867 11.596528 11.78502 -8.4153 -6.5822 -9.359 0.5261 -1.0885 0.106 8.52804 0.3385 4.6247273944 5.8825033714 0.307142696
+C      1.03770912     -0.03754320      0.20900169
+C      2.36328911      0.02866787      0.03899275
+C      3.21936324      1.27216724     -0.05315611
+C      4.49649896      0.78124874     -0.76447002
+N      4.52574066     -0.63247094     -0.40548340
+C      3.26793007     -1.15538286     -0.14269843
+N      3.04351227     -2.42348066     -0.09137721
+H      0.51986967     -0.99797264      0.25496411
+H      0.42630917      0.86026295      0.30705181
+H      3.47193723      1.62088884      0.96130036
+H      2.72735419      2.09850171     -0.58200269
+H      4.41592290      0.93072467     -1.85761126
+H      5.40135611      1.29704534     -0.41278429
+H      5.22613864     -1.26204255     -0.78788984
+H      2.06606866     -2.59677450      0.16914251 
+
+13
+-1424.9480382128452 10.983956 11.01715 -9.512 -7.5199 -9.509 -1.0408 -2.7771 -1.281 8.77034 1.67689 3.601607321 5.5328876486 0.402022106
+C      0.92534169      0.03268851     -0.00599591
+C      2.41409358      0.06208023     -0.00258226
+C      3.27278887      1.10675167      0.00187309
+C      4.63680109      0.52819219      0.00274474
+N      4.67346488     -0.77051948     -0.00055075
+C      3.29331400     -1.16330090     -0.00428084
+N      2.96806337     -2.40315819     -0.00793552
+H      0.50572165      1.04622917      0.00233029
+H      0.53406934     -0.50256012      0.87363628
+H      0.53805042     -0.48628121     -0.89710984
+H      3.03436973      2.16952332      0.00431793
+H      5.55815121      1.11727580      0.00611895
+H      1.93931018     -2.48890099     -0.00981617 
+
+15
+-1574.1229904379484 11.598962 11.86158 -8.4535 -6.5415 -8.882 0.9769 -0.5893 0.2 8.28592 0.27288 4.8579202632 5.2285888088 0.424352104
+C      0.99809868      0.05550649      0.04424822
+C      2.48535249     -0.03111146      0.01397935
+C      3.28266810     -1.11386478     -0.07468952
+C      4.72986539     -0.71441096     -0.07660429
+N      4.65705045      0.72698023      0.13549506
+C      3.33771515      1.18575005      0.06706352
+N      2.86674731      2.38756804      0.06206453
+H      0.53340551     -0.93490926     -0.03858288
+H      0.63871773      0.69583010     -0.77454506
+H      0.66129562      0.53549335      0.97504063
+H      2.96117676     -2.15335916     -0.12771253
+H      5.30100048     -1.21653490      0.72569062
+H      5.22025539     -0.97080842     -1.03535377
+H      5.41403566      1.32708272     -0.17561811
+H      3.62139527      3.08592798      0.10155423 
+
+19
+-1812.8065564974054 12.026267 13.10439 -8.2201 -6.1093 -9.512 0.8006 -0.1284 2.888 9.25557 -2.52686 7.611810505 11.577254743 0.195896752
+C      0.84162945      0.02982048     -0.21134225
+C      2.33010630      0.00661228      0.06441274
+C      2.69703968      0.00628085      1.53327201
+C      3.25802039     -0.76086248     -0.89486244
+N      2.85773490     -1.54839792     -2.04104355
+C      3.24449400      0.73668865     -0.93616606
+N      4.42797981      1.50840984     -0.62318587
+H      0.61966624      0.03431584     -1.28835660
+H      0.37481119      0.92740986      0.22557432
+H      0.33805216     -0.84938838      0.22465239
+H      3.78542720     -0.01611065      1.68854886
+H      2.27254733     -0.87296908      2.04430055
+H      2.31016692      0.90378948      2.04461242
+H      4.13510500     -1.18833213     -0.39257146
+H      2.27934185     -1.00080470     -2.67957857
+H      2.30274045     -2.35786210     -1.75186358
+H      2.69698985      1.15738439     -1.78915121
+H      5.09105339      0.95891109     -0.07506596
+H      4.18931388      2.33360467     -0.06735575 
+
+15
+-1569.2009265993158 11.382164 11.64863 -7.8924 -5.9878 -8.509 1.178 -0.2301 0.877 7.96667 -0.32524 5.0032194566 11.2589082894 0.128208247
+C      0.95534577      0.00914299     -0.10779389
+C      2.48531822     -0.03055932      0.01338757
+C      3.14946480     -1.26308469     -0.55777491
+C      4.06463119     -0.88390556     -1.46715801
+N      4.12138066      0.51743052     -1.57253674
+C      3.15786121      1.11866036     -0.75522346
+N      2.84115230      2.35579919     -0.62441831
+H      0.58285018      0.98657125      0.22608633
+H      0.49630758     -0.77856338      0.50593543
+H      0.64601607     -0.14181802     -1.15161652
+H      2.75336200      0.08941240      1.07913563
+H      2.92849756     -2.28459176     -0.26266052
+H      4.73479035     -1.49364041     -2.06930754
+H      4.62331887      1.01311247     -2.30125008
+H      3.40904324      2.96174396     -1.23155498 
+
+19
+-1817.934607061682 11.91079 12.96809 -8.6279 -6.4835 -9.965 0.8163 -0.1638 2.911 9.62662 -2.64068 8.0575649722 12.9662822996 0.071820062
+C      0.91459567      0.00560886      0.02994530
+C      2.43487995      0.01608608      0.02621868
+C      3.19988026      1.05175624      0.90145241
+C      4.25223738     -0.03236850      1.25547108
+N      5.48398776      0.10771187      0.47814551
+C      3.21052475     -1.11010920      0.78615827
+N      3.73597428     -2.30238088      0.14105888
+H      0.51721747     -0.86152329     -0.52091011
+H      0.49944651      0.91133157     -0.43855099
+H      0.52646952     -0.04399459      1.05993058
+H      2.80303467      0.06585505     -1.01442652
+H      2.61253610      1.35780756      1.77999293
+H      3.58912317      1.95333773      0.40736814
+H      4.53723396     -0.10530491      2.31599716
+H      5.27493225      0.27590738     -0.51021115
+H      6.01397461     -0.76808039      0.52061467
+H      2.61700840     -1.43153698      1.65930806
+H      4.13267741     -2.06911512     -0.77289180
+H      2.99448589     -2.98551848     -0.02645111 
+
+17
+-1711.2815669623592 11.461917 12.19111 -8.3933 -6.4635 -9.463 0.843 -0.1049 1.205 8.63468 -0.54917 4.923360074 6.0995284658 0.187604511
+C      0.94484178      0.00597041      0.04457938
+C      2.47051684      0.01747386      0.05439548
+C      3.11278813      1.17933383      0.83659628
+C      4.47905916      0.61883550      1.26212295
+N      4.17132156     -0.79252176      1.45177950
+C      3.11166981     -1.23075009      0.68067816
+N      2.81630879     -2.47740771      0.55861573
+H      0.55298691     -0.86338986     -0.50358716
+H      0.54896582      0.90780962     -0.44390711
+H      0.54736996     -0.03376518      1.06949178
+H      2.83426975      0.04941087     -0.98982091
+H      2.50906791      1.39594333      1.73241312
+H      3.19916766      2.10357949      0.24983765
+H      5.23804395      0.77960789      0.47160552
+H      4.85319514      1.07375634      2.19087207
+H      4.87639282     -1.46898627      1.73133826
+H      1.97825401     -2.58672027     -0.02328069 
+
+14
+-1577.7271375323535 11.535807 11.59511 -9.3726 -7.4217 -9.162 0.659 -0.8307 0.233 8.65443 0.3974 4.4777047956 6.200911818 0.615039334
+C      0.95901108      0.01517477      0.03721111
+C      2.46287807      0.03661757     -0.02305509
+C      3.18809087      1.23461255     -0.05353613
+C      4.58408598      1.19508227     -0.11544795
+N      5.30339002      0.06163115     -0.14864609
+C      4.60269697     -1.08631646     -0.11871062
+C      3.21029490     -1.15090914     -0.05696456
+H      0.54519606      1.02627236      0.14201028
+H      0.60652471     -0.59018378      0.88501322
+H      0.53750177     -0.43131169     -0.87604993
+H      2.67086975      2.19648785     -0.02783308
+H      5.15663504      2.12797454     -0.13866401
+H      5.19233311     -2.00827093     -0.14476276
+H      2.71109167     -2.12254109     -0.03405440 
+
+16
+-1698.686710114585 12.172104 12.84583 -7.7131 -5.8862 -7.854 0.865 0.0148 1.159 7.28571 -0.55415 4.7728782658 6.0943210538 0.450966939
+C      0.94555855      0.03218319     -0.00857741
+N      2.39740598      0.01594971      0.00046855
+C      3.21626404      1.12423936      0.00418115
+C      4.53087137      0.69076778      0.01020346
+C      4.51836019     -0.73746428      0.00991017
+C      5.70685149     -1.65219258      0.01509169
+C      3.18450238     -1.11914677      0.00368114
+H      0.60043351      1.07238921      0.00155976
+H      0.54136822     -0.47756625      0.87838959
+H      0.55164466     -0.45709189     -0.91167678
+H      2.79358512      2.12438200      0.00265090
+H      5.40883884      1.33141235      0.01494080
+H      5.39705674     -2.70638507      0.02193131
+H      6.34148621     -1.48684051      0.89962333
+H      6.34076545     -1.49818760     -0.87207103
+H      2.73434725     -2.10792865      0.00150339 
+
+20
+-1956.5350413664191 12.023858 13.07031 -8.3217 -6.2626 -9.838 0.8743 -0.0654 2.993 9.14639 -2.7022 8.0061975724 10.58902433 0.154169878
+C      0.95611281      0.03696519      0.17596972
+C      2.48322503      0.01097530      0.01271194
+C      2.99288505     -1.33404974     -0.54817000
+C      2.71245281     -1.48415137     -2.05199954
+N      3.20474306     -0.36843894     -2.87254633
+C      2.71947317      0.92360731     -2.36695887
+C      3.00021344      1.16352417     -0.87488875
+H      0.62699904      0.99123032      0.61438057
+H      0.62129423     -0.77136325      0.84350764
+H      0.42616715     -0.08551823     -0.77989003
+H      2.91678071      0.14140719      1.01964228
+H      2.54040540     -2.17342927      0.00740296
+H      4.08379636     -1.39924817     -0.38686809
+H      3.15853399     -2.41637419     -2.43201262
+H      1.62562316     -1.56824446     -2.22873536
+H      4.22961494     -0.36788649     -2.84537667
+H      3.17091235      1.72411966     -2.97344057
+H      1.63306677      0.96586876     -2.56034260
+H      4.09165138      1.26145430     -0.73505960
+H      2.55334916      2.12025191     -0.55406608 
+
+18
+-1816.4460736844824 12.333894 12.89728 -8.3576 -6.31 -9.059 0.9052 -0.2385 1.441 8.46281 -0.79819 6.3462482072 6.3462482072 0.423244743
+C      0.98694619      0.02597336      0.06183730
+C      2.32860064      0.00784434      0.05029086
+C      3.13609090     -1.26524006      0.02009008
+C      4.12720385     -1.24673502     -1.16829196
+N      4.96176534     -0.04480877     -1.23592988
+C      4.15955344      1.18030624     -1.20138278
+C      3.16986004      1.25757495     -0.01418295
+H      0.43059100      0.96598095      0.05897420
+H      0.40562803     -0.89854470      0.08423906
+H      2.47732073     -2.14602636     -0.04037988
+H      3.71949273     -1.35285295      0.95588706
+H      4.78486236     -2.12864843     -1.13148750
+H      3.55447062     -1.30985413     -2.11002828
+H      5.61665029     -0.04278781     -0.44823230
+H      4.84044443      2.04510044     -1.18847851
+H      3.58822518      1.23294043     -2.14461631
+H      3.75583340      1.35487974      0.91904434
+H      2.53485083      2.15369778     -0.09865256 
+
+18
+-1818.6503692942451 12.164269 12.94697 -8.5071 -6.4369 -8.721 0.8935 -0.0539 1.473 8.16164 -0.78667 5.9959381628 5.9959381628 0.346832961
+C      0.96968951     -0.00844015      0.02523824
+C      2.47214618      0.01461014     -0.01031983
+C      3.18829267      1.13124563      0.20830238
+C      4.69464609      1.17890802      0.13953437
+N      5.33059924     -0.01495934     -0.43360591
+C      4.66644529     -1.23904522      0.02837732
+C      3.16757978     -1.29617640     -0.30581105
+H      0.60207988     -0.69345925      0.80731188
+H      0.55704762     -0.37419034     -0.93043549
+H      0.55260055      0.98965127      0.21689669
+H      2.67240350      2.06475338      0.45933259
+H      5.01781062      2.05368254     -0.44899700
+H      5.10529691      1.34200344      1.15616752
+H      5.24863068      0.03438967     -1.45353121
+H      4.79567395     -1.28823889      1.12316353
+H      5.19367752     -2.10780622     -0.39426330
+H      2.68396738     -2.10714504      0.26878259
+H      3.01901263     -1.56113322     -1.37022332 
+
+18
+-1822.3519317598877 12.267423 13.05833 -8.9304 -6.7814 -8.707 0.8889 -0.1169 1.508 8.13244 -0.81815 5.9683636764 5.9683636764 0.309140168
+C      0.98094943      0.02415568      0.03372261
+C      2.47544089      0.01120951     -0.02824006
+C      3.28001221     -1.06431147     -0.07213684
+C      4.74701320     -0.70849931     -0.04240346
+N      5.34471950     -1.18724530      1.21983673
+C      4.72539516      0.83301478     -0.29906971
+C      3.27747726      1.29643441     -0.01777914
+H      0.56400688     -0.99160475      0.04047542
+H      0.55343341      0.56772210     -0.82475314
+H      0.62954331      0.54687173      0.93881259
+H      2.94151235     -2.10191145     -0.05073787
+H      5.30172609     -1.22021560     -0.84818730
+H      4.88581075     -0.72610863      2.01114749
+H      6.33396730     -0.92693629      1.25802166
+H      4.97726866      1.03115651     -1.35213193
+H      5.47355009      1.35297087      0.31689898
+H      2.91575193      2.01043586     -0.77622483
+H      3.16709160      1.80928137      0.95510881 
+
+16
+-1680.6888502529541 12.10638 12.63231 -8.1271 -6.1551 -8.191 0.6781 -0.8361 0.654 7.66971 -0.10056 4.5311179644 7.0286795498 0.545478615
+C      0.91446624      0.07791236      0.07329211
+C      2.40695520     -0.00617885      0.00193134
+C      3.18449339     -1.11285022     -0.08453315
+C      4.64842704     -0.71869652     -0.09287366
+N      5.53080841     -1.24127229     -1.15298196
+C      4.58343486      0.79083222     -0.06705489
+C      3.29332861      1.18024142      0.01436487
+H      0.45125766     -0.91588887      0.01649230
+H      0.51296088      0.69236415     -0.74874825
+H      0.58872102      0.55393671      1.01200780
+H      2.83966042     -2.14692856     -0.11177763
+H      5.08833126     -1.04005992      0.87469621
+H      5.11435278     -1.01521306     -2.06152672
+H      5.55390985     -2.26323658     -1.09933658
+H      5.47124128      1.41976804     -0.09415061
+H      2.93278110      2.20786996      0.08165882 
+
+20
+-1939.153602909187 12.423235 13.87883 -9.2128 -6.8954 -10.557 0.9079 -0.0266 2.966 9.98547 -2.61229 8.701523459 10.7206850634 0.20221788
+C      0.97890349      0.91013273     -0.46324769
+C      2.28944702      0.14310012     -0.45869006
+C      2.98974731      0.01873139      0.88775560
+C      3.47947906      1.34478658      1.47633729
+N      4.24300516      1.10131223      2.71273482
+C      2.40098814     -1.03478543     -1.40266160
+C      3.16585436      0.24080037     -1.69059508
+H      0.52039499      0.89914144     -1.46272166
+H      1.11891746      1.96337579     -0.17585325
+H      0.25831208      0.46163315      0.23997095
+H      3.86049542     -0.65018116      0.79274476
+H      2.30281048     -0.46627583      1.60706335
+H      2.62030925      2.03174098      1.61378909
+H      4.15788344      1.82648641      0.75254800
+H      3.61864080      0.72200023      3.43102238
+H      4.59039584      1.98826436      3.08493633
+H      1.54032603     -1.26714930     -2.03232527
+H      2.96894372     -1.90621614     -1.07244679
+H      4.24837983      0.22508173     -1.55207351
+H      2.82474614      0.86682036     -2.51685766 
+
+18
+-1818.627512327196 12.171879 12.8709 -8.9841 -6.8062 -8.972 0.9407 -0.1699 1.423 8.46322 -0.77343 6.1244496518 6.1244496518 0.297796073
+C      0.94696433      0.03968886     -0.09050915
+C      2.48366705     -0.00435294     -0.01543262
+C      3.03618551     -1.29634953      0.64735625
+C      3.42735378     -0.91778271      2.10830734
+N      4.64366672     -1.52587949      2.66815060
+C      3.52563287      0.58972503      2.03603083
+C      3.03514367      1.07770948      0.88923397
+H      0.56414337     -0.75163194     -0.75211335
+H      0.59491912      1.00541933     -0.48300521
+H      0.50059089     -0.09838514      0.90602557
+H      2.87237582      0.10902812     -1.04292603
+H      3.95207993     -1.61654677      0.12469710
+H      2.32264256     -2.13283569      0.60114552
+H      2.61242094     -1.18775502      2.80695949
+H      5.42492370     -1.37708032      2.02147300
+H      4.52149081     -2.53886842      2.74559636
+H      3.92938910      1.17386622      2.86455728
+H      2.96916981      2.13823094      0.63586304 
+
+20
+-1950.6903463746794 12.45794 13.55399 -8.1946 -6.2117 -9.65 0.9687 0.0588 3.162 8.85524 -2.84328 7.7733270672 10.9047422804 0.13812807
+C      0.98160711     -0.11033720      0.44872753
+C      2.38582010      0.10619118     -0.12005435
+C      3.15887935      1.24649933      0.61126752
+C      4.50359047      0.61710762      0.99155691
+N      4.15604415     -0.78899089      1.20434943
+C      5.30076756     -1.66752799      1.36367378
+C      3.30926272     -1.12380612      0.05624080
+H      0.44297592     -0.89856648     -0.09867539
+H      0.38121007      0.80997754      0.38626250
+H      1.03814048     -0.40627522      1.50748045
+H      2.29957809      0.33957251     -1.19269634
+H      2.61261132      1.54012708      1.52061326
+H      3.27842840      2.14384988     -0.01159709
+H      5.24005994      0.73259632      0.15998603
+H      4.95208606      1.04953006      1.89920625
+H      4.96013313     -2.70163700      1.51748146
+H      5.88322863     -1.36824800      2.24691903
+H      5.97834946     -1.65553008      0.47905399
+H      3.92396258     -1.27720734     -0.86215209
+H      2.75361445     -2.05622520      0.24529633 
+
+13
+-1453.7022105652272 10.729091 10.87333 -9.3789 -7.4193 -9.599 0.2968 -1.2778 -0.014 9.48385 0.68936 4.2574188694 6.5611903368 0.432685842
+C      1.00981398     -0.02173904      0.04762719
+C      2.50788079      0.05063339     -0.02150279
+C      3.20327653      1.26684070     -0.04736418
+C      4.59461882      1.21286967     -0.10927297
+N      5.27478389      0.05474832     -0.14443468
+C      4.51148114     -1.04985125     -0.11626479
+N      3.17524848     -1.12257054     -0.05704421
+H      0.55200639      0.97426695      0.08175327
+H      0.70420028     -0.58892902      0.93818056
+H      0.62050155     -0.56624700     -0.82436530
+H      2.67695164      2.22239710     -0.02017898
+H      5.19146362      2.13026298     -0.13076906
+H      5.04409289     -2.00622226     -0.14238406 
+
+15
+-1571.8897603937137 11.334362 12.11529 -8.6705 -6.7537 -8.903 0.8768 0.0331 0.619 8.33753 -0.06183 4.9031875518 6.5900666762 0.293868143
+C      1.01022465     -0.02751769     -0.00702226
+N      2.45852950      0.05728742      0.00132281
+C      3.23395587      1.17775164      0.00444441
+C      4.55197857      0.74927766      0.01045363
+C      4.47714481     -0.66630060      0.01041673
+C      5.59361670     -1.66244172      0.01529483
+N      3.19723619     -1.08049471      0.00471603
+H      0.59681445      0.98706287      0.00009647
+H      0.65849636     -0.57017134      0.88054127
+H      0.66676997     -0.55428345     -0.90743802
+H      2.79619888      2.17158138      0.00245470
+H      5.44101515      1.37200837      0.01474028
+H      5.18407309     -2.68001314      0.02224998
+H      6.23559990     -1.54104935      0.90035703
+H      6.23313592     -1.55257734     -0.87312789 
+
+15
+-1566.9569313933598 11.766004 11.67777 -8.0558 -6.1853 -8.578 1.1659 -0.342 0.661 7.87856 -0.08194 4.8292423014 5.173377843 0.285327017
+C      0.88516634     -0.03262236      0.32332152
+C      2.19135156     -0.00770753     -0.00025178
+C      2.96653920      1.22577860     -0.39069955
+C      4.39224285      1.17839281      0.18102102
+N      5.10338571     -0.06771491     -0.11622363
+C      4.36405308     -1.11399446     -0.19661920
+N      2.98141379     -1.16271433     -0.06416634
+H      0.30715834      0.88899537      0.33263462
+H      0.36798776     -0.96126256      0.56950468
+H      2.43036706      2.12715180     -0.06430055
+H      3.03262683      1.25824372     -1.49244661
+H      4.36186419      1.30296682      1.27918658
+H      4.98433823      2.01833377     -0.21221166
+H      4.82592597     -2.09164115     -0.37690332
+H      2.52850909     -2.07071561     -0.01403579 
+
+15
+-1567.5925147838589 11.267358 11.63929 -7.9196 -5.9482 -8.19 0.7125 -0.218 0.887 7.73115 -0.31655 4.4283211718 6.8839258948 0.233596498
+C      0.98485304     -0.12407943      0.04430864
+C      2.46936564      0.06339165      0.03749313
+C      3.12443320      1.22190163     -0.15466068
+C      4.63157896      1.24996355     -0.11269974
+N      5.25021294     -0.03743285     -0.48546881
+C      4.55223244     -1.08544077     -0.26658209
+N      3.24187899     -1.10971411      0.22667908
+H      0.47590892      0.83685900     -0.09574206
+H      0.64538851     -0.55460519      1.00013038
+H      0.66099529     -0.80607704     -0.75932347
+H      2.56425782      2.13551677     -0.35597385
+H      4.99794072      1.51730515      0.89953147
+H      5.02782708      2.02715912     -0.78580215
+H      4.97371796     -2.07446776     -0.48204273
+H      2.74904849     -1.99521972      0.13294288 
+
+17
+-1703.2958085143405 11.207048 11.88126 -8.4677 -6.4737 -9.282 0.7585 -0.1786 0.931 8.6462 -0.3234 5.1702409972 8.1968756418 0.147931808
+C      0.97655409      0.06006674     -0.03069263
+C      2.51003207     -0.00569652      0.02540794
+C      3.01321916     -0.00682219      1.46967159
+C      3.05571407     -1.20683864     -0.81655153
+N      3.42952957     -0.67715705     -2.14159179
+C      3.41670262      0.60337070     -2.00716926
+N      3.10586158      1.11728119     -0.75279172
+H      0.62533083      0.03367309     -1.07235060
+H      0.60011258      0.97984973      0.44397256
+H      0.53372422     -0.79476079      0.50203138
+H      4.11111434     -0.00082404      1.49358023
+H      2.65620789     -0.90125640      2.00152723
+H      2.65178477      0.87468188      2.02094226
+H      2.31266978     -2.01297392     -0.91686481
+H      3.95298405     -1.64180222     -0.34226142
+H      3.68249048      1.29186453     -2.81442755
+H      2.63121789      2.01886389     -0.71477188 
+
+19
+-1809.372400836918 11.866446 13.18464 -9.1948 -6.9749 -10.591 0.8573 -0.1045 2.841 10.12871 -2.50133 8.4782370716 11.250799605 0.177702934
+C      0.86302970      0.15474722     -0.42276287
+C      2.30268528     -0.03042625      0.01618474
+C      2.57862860      0.04998193      1.51013153
+C      2.30997496      1.42401921      2.13333630
+N      2.76516532      1.43911722      3.53352262
+C      3.19350473     -0.90107926     -0.80225907
+N      3.29714142      0.57606626     -0.90927792
+H      0.78496105      0.06887917     -1.51433098
+H      0.48147997      1.14661089     -0.13908004
+H      0.21287761     -0.60637698      0.03575487
+H      3.63146492     -0.21286443      1.70698097
+H      1.96657973     -0.70963576      2.03108183
+H      1.24091243      1.68650438      2.00872596
+H      2.88725615      2.18787594      1.58653693
+H      2.18653163      0.80293654      4.09005726
+H      2.62255682      2.36931354      3.93380370
+H      2.79849918     -1.39440585     -1.69443983
+H      3.98927317     -1.44732705     -0.28819356
+H      4.11150734      0.88749330     -0.36711245 
+
+15
+-1565.2474973486517 11.206016 11.40019 -7.9805 -6.056 -8.246 0.7018 -0.2326 0.844 7.81947 -0.22333 4.4316068008 6.9686703258 0.236030961
+C      0.95974470     -0.05398217     -0.04202385
+C      2.49670544      0.00346404     -0.07950504
+C      3.03573683      1.26837916      0.54985882
+C      3.47633424      1.24960831      1.81767911
+N      3.49855356      0.03659042      2.52884737
+C      3.44092569     -1.13297855      1.76659865
+N      3.04183092     -1.22016042      0.55393132
+H      0.60648072     -0.99045573     -0.49739885
+H      0.52881096      0.79389934     -0.59502220
+H      0.59790006     -0.00954177      0.99552752
+H      2.80095834     -0.03365150     -1.14108719
+H      3.06631565      2.19388548     -0.02533346
+H      3.85916012      2.12181367      2.34635963
+H      4.04250174     -0.00055004      3.38580537
+H      3.79761104     -2.02975022      2.28752279 
+
+19
+-1828.8757202613147 11.810275 12.77803 -8.33 -6.2198 -9.768 0.8394 -0.1311 3.191 9.12205 -2.94197 7.8776240904 10.833400736 0.161735177
+C      0.99967691     -0.01520040     -0.04272285
+C      2.52191032     -0.01399051      0.05386482
+C      3.11218969      1.12820422      0.88959640
+C      4.54005560      0.64682786      1.19355500
+N      5.44994373      1.05224664      0.10644891
+C      4.33752327     -0.88455602      1.38120544
+N      3.02420203     -1.20067861      0.77387287
+H      0.63810256     -0.88698461     -0.60821872
+H      0.63935341      0.88857849     -0.55657053
+H      0.55715347     -0.05596643      0.96342717
+H      2.92903355      0.05878158     -0.98159106
+H      2.53532128      1.21941744      1.82401371
+H      3.10939530      2.09703878      0.37347355
+H      4.92874909      1.10196289      2.11745285
+H      5.13615107      0.64081952     -0.77810044
+H      6.38182244      0.66438007      0.27745080
+H      5.17411123     -1.43404571      0.91353051
+H      4.32918780     -1.15353159      2.45293494
+H      3.06201724     -2.02523361      0.17517661 
+
+17
+-1704.7004593303848 11.428703 12.07325 -8.3163 -6.3403 -9.185 0.7772 -0.1831 1.07 8.46477 -0.45572 4.8395703352 8.2113696052 0.19614963
+C      0.95100158     -0.05546850      0.43730602
+C      2.40489505      0.02360982     -0.01792919
+C      2.68985154      1.24022351     -0.90689570
+C      4.11883975      1.18528151     -1.46285464
+N      4.49480706     -0.09918720     -2.06078164
+C      3.82047334     -1.12649127     -1.68228253
+N      2.75649074     -1.16281248     -0.80075226
+H      0.69430589      0.81973118      1.05068116
+H      0.77136199     -0.95373423      1.04827200
+H      0.27497222     -0.08713302     -0.42975427
+H      3.05371372      0.08686005      0.87900626
+H      2.52682455      2.16633107     -0.33456489
+H      1.96936126      1.23555106     -1.74185408
+H      4.84836764      1.42116708     -0.66664854
+H      4.24996854      1.96645104     -2.22882273
+H      4.06772569     -2.10583291     -2.11286324
+H      2.48627945     -2.07068671     -0.43397172 
+
+15
+-1579.9710249107932 11.749997 12.21063 -7.0873 -5.1914 -7.537 0.8389 -0.0304 1.15 7.0133 -0.54965 4.5420907254 5.8852682592 0.386823718
+C      0.95336692     -0.02446830      0.01145854
+C      2.44450001      0.04943708     -0.01282649
+C      3.29638455      1.14504237     -0.06703184
+C      4.64179761      0.66397772     -0.06937521
+N      5.79888286      1.46785905     -0.19967527
+C      4.58179584     -0.72039625     -0.01743112
+N      3.23681166     -1.07408162      0.01067273
+H      0.53166194      0.98828638     -0.00071296
+H      0.57545885     -0.52876340      0.91578501
+H      0.54936875     -0.56077963     -0.86270015
+H      2.98175681      2.18458565     -0.11332154
+H      5.71186460      2.34082945      0.32049082
+H      6.63931675      0.98610409      0.11778298
+H      5.36531850     -1.47043886     -0.01335277
+H      2.89194435     -2.02529371      0.05272726 
+
+16
+-1705.7579051457903 12.082185 12.69426 -7.507 -5.6357 -7.612 0.8156 -0.0566 1.145 7.05242 -0.51309 4.5834772522 6.1113815274 0.408985742
+C      0.92127066     -0.09637322     -0.00241750
+C      2.40994137      0.01852073     -0.00273305
+C      3.23953875      1.13652377     -0.00053171
+C      2.80484329      2.57508494      0.00352937
+C      4.58743533      0.66105210     -0.00328876
+C      4.55486581     -0.72097079     -0.00709901
+N      3.22851158     -1.09723358     -0.00673966
+H      0.46915886      0.90350445      0.01031361
+H      0.54315460     -0.63728508      0.88085275
+H      0.54075899     -0.61570828     -0.89759934
+H      3.67924225      3.24004010      0.01001985
+H      2.19973576      2.82535918      0.88922641
+H      2.20724603      2.83276571     -0.88516302
+H      5.48436819      1.27504397     -0.00232915
+H      5.35020094     -1.45857314     -0.00960653
+H      2.89568759     -2.05465085     -0.00881427 
+
+15
+-1580.7062581741054 11.52558 11.97066 -7.7191 -5.7751 -7.686 0.8064 -0.1324 1.117 7.15452 -0.49782 4.6195075838 6.0978298576 0.404512432
+C      0.91962308      0.03178034      0.10639355
+C      2.41609541     -0.00042735      0.02876330
+C      3.25956632      1.10550443     -0.04215111
+N      3.04647898      2.50909084     -0.06490677
+N      4.56059789      0.63698537     -0.10121423
+C      4.57006729     -0.73689351     -0.06939010
+C      3.25362045     -1.15843870      0.01050511
+H      0.54739175      1.06544561      0.15925077
+H      0.54672919     -0.49922574      0.99619634
+H      0.45348138     -0.44186587     -0.77231365
+H      2.59406907      2.84137786      0.78901836
+H      2.46456103      2.79393933     -0.85502627
+H      5.36438909      1.25250613     -0.16127152
+H      5.49817815     -1.29737459     -0.10419822
+H      2.92432094     -2.19360414      0.05295444 
+
+15
+-1570.489442676947 11.179927 11.76946 -8.5519 -6.698 -8.769 0.7831 -0.1047 0.611 8.02474 -0.02484 4.935324723 6.404310851 0.316127936
+C      0.98726639      0.05284371     -0.00523577
+N      2.43774043     -0.03358352     -0.00519231
+N      3.16475661      1.11586704     -0.00782840
+C      4.43979053      0.70144216     -0.00761557
+C      4.53577624     -0.70430201     -0.00485004
+C      3.21947915     -1.15922775     -0.00339947
+C      2.66657836     -2.54936487     -0.00247882
+H      0.73572512      1.11763881     -0.00114770
+H      0.56130502     -0.42202985      0.88997432
+H      0.56138758     -0.41534444     -0.90403444
+H      5.23918069      1.43809285     -0.00920374
+H      5.43226366     -1.31678505     -0.00383695
+H      1.56969418     -2.55513288      0.02037832
+H      3.01935229     -3.11401530      0.87283144
+H      2.98221376     -3.10196891     -0.89965088 
+
+15
+-1541.4954999073116 11.017986 12.18487 -9.6595 -7.6743 -10.843 0.778 -0.2383 1.303 10.2825 -0.9116 5.3232025254 12.1667709772 0.27458165
+C      0.99047719      0.02002437     -0.07526896
+C      2.49480687     -0.00219342     -0.02004329
+C      3.33921738     -0.75077258     -1.02698173
+C      2.74941622     -1.47496560     -2.12447611
+N      2.26772690     -2.08813856     -2.99366454
+N      3.23623309      0.72157323     -1.04680392
+C      4.44366514      1.42678602     -0.61927054
+H      0.60761301      0.94454434      0.38004657
+H      0.57002576     -0.83375283      0.47520764
+H      0.63771204     -0.02572360     -1.11324807
+H      2.93748657      0.00138872      0.98608761
+H      4.26839543     -1.19240491     -0.64844075
+H      4.15981929      2.43436424     -0.28475187
+H      5.12493722      1.52595455     -1.47537744
+H      4.98040790      0.91876603      0.20643539 
+
+19
+-1805.8610531169334 12.123504 13.41413 -8.8296 -6.7454 -10.271 0.9897 0.0821 3.142 9.64427 -2.83208 8.3076447342 11.3351844766 0.230764102
+C      0.95929998      0.14220222     -0.10541117
+C      2.46027899     -0.00423263     -0.02444325
+C      3.29782463     -0.87126169     -0.91694433
+C      2.76711091     -1.70245866     -2.05983500
+N      3.79083163     -1.78511314     -3.11635182
+N      3.28317111      0.59265504     -1.08500411
+C      4.48176194      1.30163857     -0.64365322
+H      0.64828608      1.11794658      0.29789457
+H      0.45675849     -0.64017782      0.48347805
+H      0.60436195      0.08113882     -1.14157936
+H      2.86558100      0.09832328      0.99266411
+H      4.20452946     -1.28652913     -0.45598830
+H      1.80239005     -1.28402449     -2.40177649
+H      2.57023892     -2.72428551     -1.69397922
+H      3.92120415     -0.84906269     -3.51138087
+H      3.45255112     -2.37261532     -3.88199093
+H      4.21939603      2.34166980     -0.39882368
+H      5.21987521      1.31604107     -1.45900081
+H      4.95854836      0.84242574      0.24642584 
+
+17
+-1679.4176655166407 11.497228 12.01183 -7.7526 -5.8174 -8.586 0.9581 -0.027 0.794 7.99611 -0.16926 4.8572631374 11.172750418 0.143782779
+C      1.10813245      0.20805803     -0.02072676
+C      2.61381818     -0.07981701      0.03411855
+C      3.00877665     -1.29294015     -0.83627374
+C      3.45418066     -0.59063994     -2.09663899
+N      3.68641510      0.66955207     -1.92059049
+N      3.45321180      0.98702891     -0.59147954
+C      3.14164021      2.38652365     -0.35379359
+H      0.84096160      1.10431341      0.55585393
+H      0.55546308     -0.63995744      0.40881026
+H      0.76908251      0.34811725     -1.05774095
+H      2.93107239     -0.20596041      1.08049322
+H      2.18076463     -2.00106457     -0.98447376
+H      3.85261693     -1.85352776     -0.39560441
+H      3.66351927     -1.05648332     -3.05836330
+H      3.16133957      2.57819704      0.72830772
+H      2.16005937      2.70266673     -0.75403163
+H      3.92052562      2.99503353     -0.82899651 
+
+13
+-1429.282581040417 10.802481 10.77491 -8.8592 -6.9204 -9.826 0.1365 -1.4375 -0.39 9.27653 0.91437 3.6844795634 6.256147581 0.624292031
+C      0.96169643     -0.02395947      0.02174383
+C      2.46310366      0.00588579     -0.01053747
+C      3.20484501      1.18111224     -0.07288874
+C      4.59909814      1.07479003     -0.09650650
+N      5.26578797     -0.08840506     -0.06264273
+N      4.56246253     -1.23011993     -0.00265930
+C      3.22479474     -1.17745197      0.02179721
+H      0.53913432      0.98780731     -0.02609496
+H      0.59859641     -0.50368881      0.94256325
+H      0.56202347     -0.60319810     -0.82346832
+H      2.71986130      2.15963167     -0.10304738
+H      5.23156519      1.96526821     -0.14526581
+H      2.73203082     -2.15404190      0.07061692 
+
+15
+-1556.5176565209383 11.67464 12.09809 -7.8933 -5.9732 -7.95 0.7692 -0.1857 1.064 7.384 -0.47561 4.770671315 6.1121254434 0.44798594
+C      0.91435917      0.00577300     -0.07378827
+C      2.41339523      0.01368129     -0.01400613
+C      3.23556926      1.12721244     -0.08848970
+N      4.54491599      0.70302551      0.00635977
+N      5.63426349      1.59560780     -0.03390164
+C      4.58134163     -0.67071969      0.14150821
+C      3.27223684     -1.12044995      0.13137996
+H      0.51587175      1.02474321     -0.17341278
+H      0.47552783     -0.43487854      0.83489944
+H      0.54533592     -0.58018506     -0.92990144
+H      3.01670785      2.18382635     -0.20130613
+H      6.17131099      1.49236020      0.83261137
+H      6.24339876      1.32977482     -0.81380531
+H      5.52636167     -1.19666375      0.23389353
+H      2.96131364     -2.15855761      0.21967911 
+
+13
+-1399.2065458291304 11.318687 10.83746 -9.1202 -7.209 -9.018 -0.4599 -2.1446 -0.542 8.58202 1.09337 4.0530651442 4.4835693334 0.297552286
+C      0.89778316     -0.05048672      0.27429353
+C      2.20854354      0.02503350     -0.02016723
+C      2.97417262      1.29968319     -0.26526666
+C      4.39193067      1.11544332      0.20568336
+N      4.99894786     -0.01667434      0.28599909
+N      4.33338081     -1.18181307     -0.18390840
+C      3.03598622     -1.16545618     -0.21327931
+H      0.28734038      0.84243604      0.42025727
+H      0.40175941     -1.01800207      0.37297990
+H      2.51338192      2.16988433      0.22259937
+H      2.98332913      1.51783898     -1.35155753
+H      4.96022605      1.98690835      0.55049535
+H      2.55166824     -2.12118534     -0.44736873 
+
+15
+-1546.615125693336 12.179379 11.66721 -7.9099 -6.0397 -8.472 0.5032 -1.064 -0.19 7.98429 0.67727 4.2963504734 4.6915310512 0.28307259
+C      0.89644085     -0.06789978     -0.20484949
+C      2.22658096      0.02747566      0.00343492
+C      2.93252837      1.33453027      0.29501304
+C      4.37017912      1.25179948     -0.21698415
+N      5.00105193      0.06169827      0.35739766
+N      4.38192171     -1.14533069      0.19862354
+C      3.08957511     -1.14713672      0.01711137
+H      0.25348103      0.81375089     -0.20917878
+H      0.41998470     -1.03623450     -0.36928107
+H      2.40349214      2.18207780     -0.16299992
+H      2.94973683      1.50044385      1.38543090
+H      4.95798607      2.13235218      0.07762655
+H      4.36131415      1.18915700     -1.32393927
+H      5.99583733     -0.03681407      0.16650483
+H      2.63766968     -2.13797964     -0.08379013 
+
+15
+-1547.7233953266448 11.646322 11.6518 -7.7178 -5.7932 -8.154 0.6021 -0.9974 0.047 7.75603 0.51632 3.879087989 6.185103603 0.434668786
+C      0.93907377      0.02220017      0.14554005
+C      2.42587641      0.06560981      0.01325354
+C      3.18326838      1.18357513      0.08003838
+C      4.62659440      1.08438907     -0.03443086
+N      5.26960174     -0.04431524      0.10099514
+N      4.48304792     -1.14533553      0.30088287
+C      3.16097936     -1.21511557     -0.32570978
+H      0.63413775     -0.64779160      0.96669322
+H      0.47396269     -0.37997127     -0.77162757
+H      0.51836321      1.01847611      0.33520233
+H      2.73055210      2.16101731      0.26392337
+H      5.24933343      1.97512382     -0.13331799
+H      5.04013906     -1.99282745      0.22736532
+H      2.64131489     -2.09573636      0.08243450
+H      3.21740490     -1.34556840     -1.43330251 
+
+15
+-1573.7111468356584 11.851923 12.05071 -8.4025 -6.506 -8.855 0.9046 -0.6368 0.213 8.19944 0.31562 4.876741338 5.2084782796 0.465698685
+C      0.99262106      0.03866786      0.03033986
+C      2.48264376     -0.02506418      0.00282081
+C      3.28463714     -1.10622986     -0.05257003
+C      4.70037704     -0.70258251     -0.05685218
+N      5.69278273     -1.51594753     -0.19745146
+N      4.69234869      0.68890945      0.13609442
+C      3.33700932      1.22053723      0.04601378
+H      0.54879137     -0.96338466     -0.02069008
+H      0.60317403      0.63100327     -0.81338974
+H      0.63355110      0.52722161      0.95053940
+H      2.98425574     -2.15078086     -0.09970721
+H      6.59062460     -1.01277160     -0.16975583
+H      5.46983464      1.23707713     -0.21860912
+H      3.18176933      1.83443570     -0.86255923
+H      3.08567947      1.85646896      0.91498663 
+
+13
+-1425.1369546192739 11.258942 11.2965 -9.5949 -7.604 -9.572 -0.9867 -2.7165 -1.305 8.78418 1.66027 3.5867785954 8.997478041 0.415949089
+C      0.95567071      0.04955389      0.00532335
+C      2.44031216     -0.07159667      0.00209168
+C      3.23845425     -1.16389307     -0.00021168
+C      4.63991831     -0.67163665     -0.00260523
+N      5.75310192     -1.31027354     -0.00510264
+N      4.63841392      0.76977891     -0.00173499
+C      3.38278552      1.08977854      0.00097552
+H      0.46482416     -0.93124031      0.00270572
+H      0.60729216      0.61315916     -0.87465171
+H      0.61070085      0.60659941      0.89083262
+H      2.94679319     -2.21209772     -0.00034420
+H      5.56286688     -2.32432098     -0.00534285
+H      3.06356597      2.13711902      0.00220441 
+
+15
+-1546.3713556109035 11.527171 11.68678 -7.8465 -5.8789 -8.261 0.5857 -1.0098 0.005 7.84575 0.5192 3.8940778964 6.125652316 0.383474678
+C      0.94422823     -0.06630393     -0.06502342
+C      2.43481766      0.08007020      0.05984754
+C      3.10622556      1.22512329     -0.19199356
+C      4.59684009      1.24013085      0.03774054
+N      5.10042330     -0.07948169     -0.35471508
+N      4.50715885     -1.19401841      0.15757094
+C      3.22796232     -1.09936491      0.40153349
+H      0.67971244     -0.81120653     -0.83126962
+H      0.46896945      0.88643396     -0.33273955
+H      0.50553734     -0.41364838      0.88403843
+H      2.59525242      2.13788736     -0.50525769
+H      5.09846728      1.99416642     -0.58567121
+H      4.83489227      1.47160566      1.10265852
+H      6.11203790     -0.18221825     -0.34987930
+H      2.74687488     -2.01350564      0.75755998 
+
+15
+-1543.3125259239864 10.63976 11.13738 -9.8311 -7.8197 -9.874 0.2332 -1.4436 0.224 9.53498 0.34131 4.9803564382 9.8318294294 0.250423775
+C      0.92493719     -0.00224106      0.05424742
+C      2.46992073      0.00039984      0.09156414
+C      2.99046168      0.00402619      1.54668937
+C      3.05602876      1.12186726     -0.72413290
+N      3.77669197      0.73049477     -1.72017204
+N      3.77910536     -0.73223508     -1.71740043
+C      3.05960149     -1.12220623     -0.71997493
+H      0.55162410     -0.00293967     -0.97825740
+H      0.53045999      0.88634424      0.56669698
+H      0.53354250     -0.89217749      0.56673294
+H      4.08795468      0.00398444      1.57701198
+H      2.62712528     -0.88379732      2.08293498
+H      2.62736421      0.89469121      2.07838052
+H      2.91046040      2.18712826     -0.52706865
+H      2.91746166     -2.18718934     -0.51894196 
+
+17
+-1683.5281132905072 11.352528 11.90448 -8.3092 -6.2911 -9.042 0.924 -0.0782 0.778 8.57585 -0.14991 5.1327352322 5.3066999888 0.125433655
+C      0.93907607      0.02697104     -0.00408094
+C      2.48236950     -0.02339427     -0.04248830
+C      2.99379673      0.13403445     -1.47837419
+C      3.02167513     -1.29260820      0.66381059
+N      3.14322928     -0.84027772      2.06693547
+N      3.39618091      0.53417442      2.07018502
+C      3.03819128      1.01213933      0.92583805
+H      0.56891232     -0.13210666      1.01825004
+H      0.51102210     -0.75074904     -0.65550020
+H      0.57123909      1.00222446     -0.35555545
+H      4.09249565      0.12672916     -1.51364131
+H      2.64483071      1.08141467     -1.91610566
+H      2.62298642     -0.68086537     -2.11902971
+H      4.00697117     -1.57218094      0.24340474
+H      2.34009637     -2.15136447      0.58422966
+H      3.84123457     -1.32282197      2.63213339
+H      3.05952269      2.08864112      0.74978880 
+
+15
+-1541.0939482924452 10.896962 11.25291 -9.1295 -7.1667 -9.572 0.3376 -1.3735 0.208 9.23058 0.40673 4.373358178 8.703259263 0.265964872
+C      0.97140079     -0.05306444      0.41772305
+C      2.42982360      0.03192778     -0.03268876
+C      2.74640951      1.27554455     -0.87717402
+C      4.16237975      1.12881691     -1.36605627
+N      4.69710136     -0.00818644     -1.65727080
+N      3.83235998     -1.12991082     -1.70750854
+C      2.83442415     -1.14269350     -0.89209187
+H      0.70242666      0.80720694      1.04654968
+H      0.79148862     -0.96699952      1.00234965
+H      0.29136876     -0.06560406     -0.44724473
+H      3.08380976      0.04708312      0.86179486
+H      2.63934064      2.20152273     -0.29537554
+H      2.04479873      1.34344136     -1.73073178
+H      4.82745024      1.99831743     -1.41781581
+H      2.21660745     -2.05001204     -0.90207912 
+
+17
+-1684.4463184186031 11.501532 11.91534 -8.1694 -6.1998 -8.897 0.8831 -0.0609 0.869 8.36799 -0.24499 4.7310825852 10.6561131546 0.18071758
+C      0.93779969      0.02953276     -0.13446205
+C      2.45257211     -0.00316761      0.13294120
+C      3.15909744      1.30756762     -0.26844020
+C      3.60641892      1.22188706     -1.72752087
+N      4.50294641      0.07519380     -1.86255821
+N      4.03632355     -1.15280968     -1.45136209
+C      3.10790548     -1.18223783     -0.55183760
+H      0.45220768      0.80425270      0.47828524
+H      0.46887408     -0.93634278      0.10455641
+H      0.72854151      0.24503547     -1.19301416
+H      2.58875637     -0.15341811      1.22001166
+H      2.49054416      2.16917831     -0.12007763
+H      4.04905644      1.46450955      0.35953296
+H      4.15097557      2.12522793     -2.03765227
+H      2.71833848      1.11229599     -2.38420807
+H      4.93496922     -0.02386998     -2.77867814
+H      2.80399290     -2.18727520     -0.23975618 
+
+18
+-1785.7626833728707 12.04775 13.49646 -8.8486 -6.8637 -10.345 1.0325 0.168 3.295 9.64599 -2.96193 8.472645303 11.091601581 0.410290625
+C      1.06843323      0.39006188     -0.41553169
+C      2.49088409      0.01732148     -0.07939893
+C      3.18838252     -1.14440813     -0.70987876
+N      3.51442010      0.23377931     -1.11346763
+C      4.78871013      0.73245576     -0.65333364
+C      5.85951191      0.95477638     -1.69007037
+C      5.16522993      2.13756916     -1.04701653
+H      0.89550135      1.46580873     -0.26084586
+H      0.35903761     -0.16293018      0.21869300
+H      0.84982304      0.15787474     -1.46679173
+H      2.80408980      0.23987215      0.94938485
+H      2.67489110     -1.74560528     -1.46521000
+H      3.92419644     -1.68461940     -0.10460548
+H      5.12092932      0.38726229      0.33794591
+H      5.58871656      0.72144462     -2.71973580
+H      6.89399541      0.74331054     -1.41860773
+H      5.71982125      2.74309726     -0.32981937
+H      4.44230620      2.67946870     -1.65710021 
+
+18
+-1789.9143142637315 11.683586 13.02261 -8.904 -6.8456 -10.367 0.9334 0.0362 2.804 9.95512 -2.39906 8.1145861336 11.7097833784 0.214586677
+C      0.75669122     -0.15449796     -0.51962487
+C      2.19189540     -0.09429990     -0.03933147
+C      3.25494183     -0.70799148     -0.88776285
+N      3.07002623      0.76411039     -0.88320905
+C      2.44593338     -0.06374291      1.44598500
+C      1.67385760      0.85258795      2.37334073
+C      1.48216750     -0.64319523      2.45911134
+H      0.73441678     -0.05633758     -1.61207056
+H      0.15399746      0.66684189     -0.10347377
+H      0.28132723     -1.10786198     -0.24620697
+H      2.98520058     -1.19844120     -1.82730825
+H      4.12802272     -1.13262080     -0.38386210
+H      3.78857778      1.18953013     -0.28601880
+H      3.50440383     -0.18684264      1.69804310
+H      0.85983899      1.44163089      1.94958289
+H      2.22476222      1.35371459      3.16975330
+H      1.90090624     -1.17438146      3.31432607
+H      0.53863302     -1.04982271      2.09388624 
+
+17
+-1659.3524319686044 11.214839 12.3704 -9.0751 -6.9849 -10.525 0.8089 -0.1549 2.726 10.11528 -2.33799 8.1888041532 11.0930398186 0.271498886
+C      0.75539423     -0.08951904     -0.50236593
+C      2.19483929     -0.05998022     -0.03938702
+C      3.24891837     -0.74336447     -0.84516252
+N      3.11193336      0.73176003     -0.90049220
+C      2.44360196      0.01949706      1.44453034
+C      1.59989789      0.81178063      2.38541470
+N      1.49310788     -0.66318573      2.34935658
+H      0.71763533     -0.20781904     -1.59220147
+H      0.24110495      0.85030191     -0.25246454
+H      0.21506003     -0.91835530     -0.02555541
+H      2.97038250     -1.26100136     -1.76657208
+H      4.10281978     -1.17622098     -0.31563009
+H      3.83952941      1.16229919     -0.31717571
+H      3.50850070     -0.04041769      1.70619605
+H      0.71646933      1.33702438      2.01661329
+H      2.09846732      1.28953154      3.23276287
+H      1.99784768     -1.07437091      3.13983313 
+
+18
+-1786.7898801021486 12.579314 13.78804 -8.8845 -6.9006 -9.557 1.5914 0.0431 1.416 9.01498 -0.84144 6.7396557852 6.7396557852 0.441607696
+C      0.91577572     -0.13959976      0.06128526
+C      2.40009178     -0.27079907     -0.17361647
+C      3.00174842     -0.30796685     -1.54141799
+N      3.11025668      0.89877009     -0.70756325
+C      4.44301992      1.15053969     -0.14209837
+C      5.27937985      1.96846806     -1.08328981
+C      6.51933951      1.65036800     -1.46990396
+H      0.71035919      0.36086209      1.01964240
+H      0.43579089     -1.12951543      0.08493873
+H      0.45181409      0.45353672     -0.73855848
+H      2.94426253     -0.85217414      0.58305277
+H      2.36208806     -0.21434194     -2.42283770
+H      3.90511348     -0.91104939     -1.68384424
+H      4.97852791      0.21223626      0.11849412
+H      4.29044942      1.71283463      0.79682389
+H      4.80633427      2.88267459     -1.45678259
+H      7.01058464      0.73880210     -1.11793840
+H      7.09008365      2.29176433     -2.14324592 
+
+16
+-1628.6261955109442 12.085014 13.47589 -9.0796 -7.0668 -9.749 0.9676 0.0142 2.44 9.51274 -2.01022 4.4066112232 10.665337713 0.3453306
+C      1.27052252     -0.16006196      0.13807864
+C      2.74487299     -0.06775680     -0.16364289
+C      3.31486952     -0.35761525     -1.51409962
+N      3.19069164      1.02887993     -1.03796748
+C      4.45792885      1.66148140     -0.63995221
+C      5.15738205      2.25390089     -1.77669932
+C      5.75362190      2.74219553     -2.71358753
+H      0.99047755      0.52270412      0.95399765
+H      0.99965318     -1.18223192      0.44209515
+H      0.67983485      0.10805507     -0.74798152
+H      3.41122516     -0.30659993      0.67650092
+H      2.65309897     -0.62487567     -2.34162779
+H      4.31820731     -0.79396974     -1.56046142
+H      5.14330198      0.94542598     -0.13523240
+H      4.22320434      2.45017745      0.09468996
+H      6.27368720      3.17470090     -3.54368014 
+
+19
+-1804.5457471470957 12.161909 13.60956 -8.8384 -6.797 -10.439 0.994 0.0317 3.295 9.74183 -2.98298 8.5254385418 11.696777247 0.148547743
+C      0.79958052     -0.11591558     -0.12759552
+C      2.27841774     -0.36671987     -0.28969314
+C      2.97568846     -0.25317156     -1.60582856
+N      3.13688469      0.78844593     -0.57733294
+C      4.43695766      0.80419903      0.09525266
+C      5.42077042      1.70800816     -0.64716153
+N      6.71609676      1.72291919      0.05049856
+H      0.56939527      0.24454750      0.88625665
+H      0.22586936     -1.03927099     -0.29823086
+H      0.45848842      0.64366694     -0.84405015
+H      2.70483346     -1.11615543      0.39085739
+H      2.41689550      0.04529685     -2.49675498
+H      3.82217055     -0.92511760     -1.78762134
+H      4.88159057     -0.20841633      0.19445839
+H      4.27938965      1.19297909      1.11698779
+H      4.95235453      2.70291139     -0.77645884
+H      5.58546697      1.29854233     -1.65716134
+H      6.62365155      2.22487879      0.93811053
+H      7.39818791      2.25073216     -0.49830276 
+
+17
+-1679.0560513301702 11.522208 12.35029 -8.7737 -6.9125 -9.819 0.8423 -0.0662 1.09 9.08129 -0.44045 4.8715711218 6.4960480924 0.159019032
+C      1.17398338     -0.28494811     -0.45915776
+C      2.56529042     -0.05345493      0.07903760
+C      3.75588193     -0.53968810     -0.69854827
+N      3.49937088      0.88511048     -0.56320468
+C      3.17660545      1.70456845     -1.66685952
+C      2.27165411      2.85906676     -1.32299082
+N      3.67579624      1.60455126     -2.84801620
+H      0.45945193      0.44939341     -0.05964559
+H      0.82047948     -1.28375403     -0.16280521
+H      1.15325345     -0.22573284     -1.55674526
+H      2.64613119     -0.05592911      1.17188998
+H      3.54730585     -1.00202763     -1.67062205
+H      4.64063459     -0.91902576     -0.18129329
+H      2.71282982      3.45444396     -0.51044736
+H      1.29009430      2.50769260     -0.97271579
+H      2.13596654      3.48784673     -2.20859643
+H      4.28852044      0.77723685     -2.90917933 
+
+15
+-1539.1386125854444 10.911576 12.26886 -9.6677 -7.6077 -10.978 0.8118 -0.2574 1.526 10.31825 -1.13661 5.4210150808 10.8010279914 0.117187101
+C      1.00534234     -0.06753536      0.02041489
+C      2.51062165     -0.07633155     -0.05720602
+C      3.25539995     -0.61857581     -1.23302967
+N      3.14087785      0.83604418     -1.02747930
+C      4.36144510      1.49134321     -0.55372474
+C      5.23780508      1.85469811     -1.67219676
+N      5.95229637      2.13711354     -2.54874006
+H      0.64643838      0.75799084      0.65220071
+H      0.63633421     -1.01053507      0.44971356
+H      0.57019443      0.05388522     -0.98025001
+H      3.03069298     -0.18051337      0.90433089
+H      2.70854647     -1.00371414     -2.09638742
+H      4.22783241     -1.08697784     -1.05029763
+H      4.95504282      0.86773670      0.14846948
+H      4.08357996      2.41396132     -0.01895793 
+
+18
+-1794.5043619930086 11.378969 12.45893 -8.6596 -6.6379 -10.461 0.9151 0.0388 2.955 9.78418 -2.65703 8.5614316776 11.1463166028 0.095128358
+C      0.95830891      0.01817975     -0.01546144
+C      2.48363712      0.05006689      0.03645183
+C      3.14704269     -1.04052517      0.95512608
+N      3.98244363     -0.24287419      1.91051341
+C      4.56523533      0.77550459      0.93303381
+C      3.11128394      1.27016575      0.74557939
+C      2.99076885      0.86813319      2.23657210
+H      0.60053446     -0.92822292     -0.44853497
+H      0.55960919      0.83581319     -0.63495986
+H      0.51254816      0.10847270      0.98702403
+H      2.87642766     -0.02011257     -0.99190350
+H      3.79062798     -1.74050141      0.40405381
+H      2.40335018     -1.62223912      1.52028080
+H      5.09578760      0.34085730      0.07121116
+H      5.21543371      1.47732077      1.47300907
+H      2.85559404      2.26898800      0.36197969
+H      3.45487697      1.58601858      2.92645850
+H      2.02398955      0.52702469      2.63615607 
+
+16
+-1651.2023018352343 11.531129 12.228 -8.8128 -6.8454 -9.108 0.9246 0.0747 1.454 8.44876 -0.80429 6.3990290474 6.3990290474 0.450841114
+C      1.03334920      0.01337128      0.04619388
+C      2.36761262      0.05424873      0.00576556
+C      3.39202749     -1.08658959      0.04077992
+N      4.69476567     -0.34183222     -0.04122275
+C      4.32976587      0.67817018     -1.11567647
+C      3.29887738      1.23494596     -0.08913338
+C      4.39146202      0.79500802      0.93016789
+H      0.49676366     -0.93517586      0.11543041
+H      0.43024845      0.92249253      0.01168006
+H      3.30323091     -1.77604347     -0.81154053
+H      3.35688884     -1.67315109      0.97050041
+H      3.96151224      0.25230487     -2.06021960
+H      5.18054304      1.34997175     -1.29298681
+H      2.86414725      2.24223696     -0.13350510
+H      5.24906909      1.47971434      0.97836224
+H      4.08235628      0.48050760      1.93748427 
+
+20
+-1940.5385175730535 12.403893 13.67817 -8.8121 -6.8026 -10.397 0.8393 -0.08 2.77 9.84535 -2.44416 8.0865281018 11.0944160632 0.255542906
+C      0.92014227      0.11638278     -0.26006788
+C      2.41165138      0.16983147      0.02226145
+C      2.71242059      0.02678958      1.50480836
+N      3.34327536     -0.57370845     -0.87417686
+C      3.34971484      0.91760809     -0.89165077
+C      2.83303420      1.63979448     -2.12393198
+C      4.62304897      1.55116132     -0.35669865
+H      0.67752219      0.17939210     -1.32796965
+H      0.39269591      0.93515569      0.25468931
+H      0.50426610     -0.83045046      0.12023620
+H      3.78602499     -0.05821918      1.70140900
+H      2.23237459     -0.88404391      1.89550261
+H      2.31682423      0.88394395      2.07181873
+H      2.81855901     -0.91215958     -1.68993623
+H      1.92815317      1.18614461     -2.54636261
+H      3.60627323      1.63312944     -2.90880409
+H      2.60743401      2.69373928     -1.89664946
+H      5.07293409      0.95748409      0.44567809
+H      4.42888205      2.56690507      0.02209880
+H      5.36709881      1.63133963     -1.16467436 
+
+18
+-1791.0723608795463 12.21206 13.04994 -8.7639 -6.6215 -9.433 1.1612 -0.0089 1.326 8.87527 -0.72129 6.5799866144 6.5799866144 0.43317651
+C      0.86725447      0.20697048      0.41269134
+C      2.30692814      0.02575958     -0.08989708
+C      3.30591605      0.93759296      0.69979977
+N      3.55922017     -0.19659790      1.62860357
+C      3.02991161     -1.15640797      0.61962818
+C      2.36025038      0.12724067     -1.58391731
+C      2.72696775     -0.83005558     -2.44402656
+H      0.84271253      0.18484155      1.51128143
+H      0.21892860     -0.59409639      0.02787363
+H      0.45334304      1.16970384      0.07540412
+H      2.88684440      1.83749487      1.17944782
+H      4.17253847      1.22272640      0.07653183
+H      4.54440055     -0.33459337      1.86272223
+H      3.80654696     -1.61207875     -0.01966175
+H      2.39140719     -1.95089163      1.03845272
+H      2.03348087      1.09609209     -1.98430889
+H      3.05095354     -1.81770416     -2.10822796
+H      2.71085530     -0.65870671     -3.52121708 
+
+16
+-1635.6640580278583 11.86012 12.87891 -8.9766 -6.8222 -9.67 0.9027 0.0041 2.324 9.24498 -1.85694 4.322585911 10.25116248 0.407493948
+C      0.94721097     -0.02070518      0.24173238
+C      2.43763072     -0.00323902     -0.12762154
+C      3.25088439      1.04645388      0.70652893
+N      3.57535409     -0.02149424      1.68820688
+C      3.26793370     -1.06440893      0.67465665
+C      2.63998558      0.02006693     -1.56513851
+C      2.80253758      0.03910070     -2.76941873
+H      0.83683411     -0.03796719      1.33466471
+H      0.45541437     -0.90844688     -0.17999298
+H      0.44128721      0.87139334     -0.15325289
+H      2.67471278      1.89093956      1.11690827
+H      4.11353566      1.42857817      0.13414754
+H      4.54452347     -0.01856484      2.01176442
+H      4.13654813     -1.41497485      0.09118267
+H      2.70559196     -1.93016651      1.05911285
+H      2.95292529      0.05611507     -3.82935063 
+
+20
+-1939.6536733754433 12.400063 13.6924 -8.483 -6.377 -9.821 0.8231 -0.1129 3.019 9.36464 -2.66094 7.999762699 11.4352411786 0.153210129
+C      1.03396883      0.05364368     -0.06691267
+C      2.54512054      0.04136746     -0.01947912
+C      3.37961916     -0.69347376     -1.07968484
+N      2.83832664     -1.37923648     -2.23257671
+C      3.41881441      0.81949715     -1.00060427
+C      2.77203609      1.65661869     -2.08990514
+C      4.69052027      1.44403220     -0.45339461
+H      0.61998067      1.01604554      0.27215968
+H      0.62219269     -0.73087125      0.58656606
+H      0.64512637     -0.13677927     -1.07789971
+H      2.95342449     -0.01262665      0.99514214
+H      4.27496505     -1.19389712     -0.69617107
+H      2.24425694     -0.76819227     -2.79327694
+H      2.26732089     -2.17949318     -1.94915204
+H      1.80891308      1.26010276     -2.43762492
+H      3.43759025      1.74378052     -2.96335381
+H      2.57840183      2.67563366     -1.71900694
+H      5.14448090      0.81355954      0.32452510
+H      4.48583435      2.43136659     -0.00820061
+H      5.43796654      1.58228220     -1.25138957 
+
+18
+-1794.9546682835842 12.532249 13.62464 -8.6025 -6.4906 -9.205 0.9496 -0.1036 1.319 8.74835 -0.72293 6.4100390042 6.4100390042 0.416276092
+C      0.98012598     -0.03970980     -0.01849378
+C      2.48776935     -0.10169116      0.00319632
+C      3.29430676     -0.82092713     -1.07780201
+N      2.73307960     -1.47947339     -2.23854537
+C      3.32670312      0.67981466     -1.01691181
+C      4.51318998      1.46642831     -0.59700457
+C      5.76152159      1.00634174     -0.43921570
+H      0.60810430      0.88122649      0.45514970
+H      0.54098165     -0.89199194      0.52360751
+H      0.58455314     -0.06599300     -1.04451873
+H      2.93577310     -0.15047419      1.00020628
+H      4.18914781     -1.33213279     -0.71236040
+H      2.06793884     -0.87428653     -2.72235459
+H      2.22467555     -2.32419623     -1.96354910
+H      2.70998478      1.17800566     -1.77546033
+H      4.31489402      2.52392354     -0.38610376
+H      6.02387872     -0.03272440     -0.64906286
+H      6.56455173      1.66079015     -0.09882681 
+
+16
+-1639.7748503184846 12.287099 13.52749 -8.8489 -6.7278 -9.363 0.7876 -0.1585 2.249 8.97944 -1.82527 4.300082452 9.4779981826 0.235528738
+C      0.99935861     -0.01254068     -0.00705617
+C      2.50760784     -0.05580968      0.01696430
+C      3.32342686     -0.77187112     -1.04610631
+N      2.79030098     -1.45540300     -2.20173383
+C      3.31288654      0.74782453     -1.01579261
+C      4.47552187      1.49385860     -0.63659985
+C      5.46414213      2.11734108     -0.30082083
+H      0.62094113      0.90466695      0.46759947
+H      0.57306030     -0.87118977      0.53447323
+H      0.60157107     -0.04098675     -1.03223137
+H      2.95489133     -0.06417621      1.01444688
+H      4.25291137     -1.22371510     -0.69136446
+H      2.02029408     -0.93178284     -2.62192836
+H      2.41547730     -2.36886359     -1.93128120
+H      2.70457798      1.21174451     -1.79996655
+H      6.33613059      2.66516306     -0.00878235 
+
+20
+-1938.768205312632 12.25273 13.4306 -8.4451 -6.3886 -10.033 0.8584 -0.0571 2.895 9.37742 -2.57546 8.0108718446 9.6931510884 0.10983651
+C      0.87273085      0.03994553      0.03797127
+C      2.39161969     -0.03843320      0.05466775
+C      3.19533730      0.98584559      0.88666189
+N      4.07430377     -0.09405834      1.45004788
+C      3.14546501     -1.14756833      0.87640847
+C      2.33236552     -1.77573633      2.00883109
+C      3.85005114     -2.21888169      0.05493754
+H      0.42604709     -0.82241549     -0.48043270
+H      0.53800205      0.94695906     -0.48895857
+H      0.45482276      0.07638031      1.05496139
+H      2.76938065     -0.05658796     -0.98160748
+H      2.60197737      1.45940959      1.68804643
+H      3.71881573      1.77966731      0.33293119
+H      4.95918596     -0.11373971      0.93398341
+H      1.88255841     -1.00554554      2.65005749
+H      2.99256916     -2.38671210      2.64148647
+H      1.52858321     -2.41880722      1.61892051
+H      4.41428472     -1.77605737     -0.78037505
+H      3.12673533     -2.93403131     -0.36579266
+H      4.55308429     -2.78739279      0.68413370 
+
+18
+-1792.8900905108437 12.522894 13.38213 -8.5465 -6.5084 -9.349 1.3766 -0.1328 1.301 8.89442 -0.71266 6.5333554798 6.5333554798 0.443979111
+C      0.86611788     -0.19144173      0.63137270
+C      2.23292390     -0.02382370     -0.01732440
+C      3.02090742      1.23964956      0.42162857
+N      3.81850202      0.39893932      1.35544184
+C      3.37902928     -0.85370749      0.65868567
+C      4.38424514     -1.42770920     -0.28629359
+C      4.85997854     -2.67874334     -0.22240946
+H      0.45774426     -1.19557688      0.44150225
+H      0.14846012      0.54248826      0.23454815
+H      0.92999822     -0.04877363      1.72047554
+H      2.16601748     -0.16889098     -1.10504556
+H      2.43925825      2.03106487      0.92365556
+H      3.59587135      1.69520146     -0.40425551
+H      4.82928460      0.55576249      1.33643791
+H      3.03455990     -1.63392793      1.36123853
+H      4.75950959     -0.74801586     -1.06227027
+H      4.50991920     -3.37748397      0.54193641
+H      5.60611287     -3.04727126     -0.92792435 
+
+16
+-1635.831478546345 11.880873 12.97096 -8.8613 -6.7928 -9.614 0.9297 0.0334 2.285 9.27676 -1.84663 4.3443702512 10.2812166864 0.334797232
+C      0.82769023      0.18182362      0.29827170
+C      2.27716965     -0.09661524     -0.06995590
+C      3.31936985      0.85935448      0.56888451
+N      3.60156211     -0.16141640      1.61779728
+C      2.95077848     -1.22841493      0.78857240
+C      3.86335247     -2.09227197      0.05425945
+C      4.65495053     -2.79920876     -0.53931672
+H      0.17289079     -0.64621321     -0.01167619
+H      0.46884346      1.09601008     -0.19786995
+H      0.71721025      0.31946676      1.38414176
+H      2.39017677     -0.24331576     -1.15172234
+H      2.93240012      1.80963756      0.97045957
+H      4.16647480      1.07037402     -0.10583740
+H      4.59458368     -0.33380002      1.79025710
+H      2.24497073     -1.84720990      1.37044821
+H      5.34756606     -3.42468033     -1.06434348 
+
+19
+-1808.7882673081058 11.897028 13.14818 -8.6211 -6.5026 -10.152 0.8693 -0.0797 3. 9.54299 -2.72502 8.241659385 11.1081413134 0.109409634
+C      0.89131377      0.04068707      0.04556219
+C      2.41139875      0.00683509      0.04261694
+C      3.20520482      1.01725806      0.90695277
+N      4.12997866     -0.06634762      1.39734690
+C      3.15312080     -1.08636536      0.85363095
+C      3.75089996     -2.27370414      0.12533741
+N      4.39485962     -3.19332845      1.07313009
+H      0.46792793     -0.82606431     -0.48424309
+H      0.50973704      0.94724078     -0.44819295
+H      0.50221286      0.02858009      1.07548012
+H      2.79503299      0.01927872     -0.99298601
+H      2.61132388      1.41381057      1.74754289
+H      3.69485647      1.85880072      0.39581347
+H      4.95131024     -0.07064046      0.77989435
+H      2.53606864     -1.45760322      1.69184634
+H      4.42438867     -1.88833433     -0.67298349
+H      2.93544097     -2.81716848     -0.38358539
+H      5.09889802     -2.68908288      1.61846019
+H      4.88813591     -3.93428186      0.57112635 
+
+19
+-1813.2530994004246 11.982223 13.31696 -9.0735 -6.8415 -10.459 0.8905 -0.0351 2.874 10.04367 -2.55286 8.390380592 11.5439521034 0.186930392
+C      0.88363061     -0.01264069     -0.22602164
+C      2.36907602      0.10797313      0.05895614
+C      2.72721453     -0.03308562      1.52590182
+N      3.31252374     -0.54785262     -0.88471104
+C      3.18220304      0.93633861     -0.88407680
+C      4.42656850      1.71272223     -0.52604593
+N      5.31810690      1.75099235     -1.69747732
+H      0.66541070      0.13572516     -1.29373607
+H      0.31047332      0.73692220      0.34141077
+H      0.51142625     -1.00691377      0.06823773
+H      3.81263293     -0.05381977      1.67586477
+H      2.31762901     -0.97514445      1.92269265
+H      2.30360857      0.79370493      2.11673394
+H      2.78932536     -0.93719616     -1.67650751
+H      2.63094895      1.37648502     -1.72357583
+H      4.89001123      1.27157497      0.37533686
+H      4.14276104      2.74916589     -0.27737900
+H      5.62253206      0.79350717     -1.89814170
+H      6.16455725      2.27876142     -1.47190185 
+
+15
+-1546.7000459345693 10.629409 11.69059 -9.4639 -7.2886 -10.744 0.7755 -0.1987 1.456 10.99085 -1.02631 5.3384528034 10.433669872 0.32050112
+C      0.93309919     -0.01975715      0.23608792
+C      2.42271042      0.00269424     -0.12721357
+C      3.25065989      1.05020033      0.69222801
+N      3.59514563     -0.02434358      1.65784954
+C      3.27068034     -1.06306772      0.64707187
+C      2.62240065      0.03581060     -1.56885272
+N      2.78528027      0.06105888     -2.72498607
+H      0.82896989     -0.04444776      1.32868183
+H      0.44231023     -0.90608602     -0.18840034
+H      0.42454609      0.87410243     -0.14990863
+H      2.67622964      1.88776530      1.11693487
+H      4.10022814      1.44125707      0.10698669
+H      4.56810564     -0.02172680      1.96912632
+H      4.12708507     -1.41331303      0.04612185
+H      2.71197892     -1.92833679      1.03563244 
+
+19
+-1812.7747966414502 12.042543 13.41711 -8.6671 -6.5198 -9.918 0.9016 -0.0141 3.178 9.45396 -2.89406 8.073534369 11.1338932056 0.231222344
+C      1.02603961     -0.09981638      0.05534408
+C      2.53565535     -0.05846331      0.01342475
+C      3.33087763     -0.69826507     -1.12760291
+N      2.75423768     -1.36181832     -2.27764436
+C      3.26420079      0.80298390     -0.99929139
+C      4.49053129      1.60335317     -0.62758660
+N      5.27047837      1.92928884     -1.83201549
+H      0.61558626      0.77403853      0.58377370
+H      0.66504931     -1.00212185      0.57369795
+H      0.59177952     -0.10587414     -0.95528342
+H      3.01903009     -0.13073493      0.99353109
+H      4.28021297     -1.15123703     -0.82039127
+H      2.09174439     -0.75302553     -2.75983893
+H      2.24315419     -2.20329449     -1.99840026
+H      2.62376831      1.29892875     -1.73800516
+H      5.05656455      1.04066875      0.14487097
+H      4.18105550      2.55385922     -0.15990315
+H      5.58327400      1.06185509     -2.27720553
+H      6.11480019      2.44620481     -1.57606407 
+
+19
+-1812.4751928176506 11.978441 13.01067 -8.3214 -6.2205 -9.647 0.7891 -0.1595 3.09 9.37639 -2.77183 7.7682560398 11.5275735528 0.097874539
+C      1.00229287      0.04847632     -0.07531057
+C      2.51181007      0.04507841      0.00796483
+C      3.38171980     -0.68788551     -1.03492425
+N      2.87772535     -1.37568071     -2.20054937
+C      3.41971928      0.81657877     -0.95539736
+C      2.80972555      1.66068764     -2.05662802
+N      4.66800379      1.40885771     -0.48798975
+H      0.57345810      1.01455961      0.23359905
+H      0.57409658     -0.72620977      0.57993955
+H      0.64356983     -0.16154821     -1.09379792
+H      2.90597171     -0.01197019      1.02829559
+H      4.26625032     -1.18475689     -0.61947610
+H      2.35399494     -0.75102758     -2.81414173
+H      2.25326537     -2.14146246     -1.93723192
+H      1.83508854      1.28769913     -2.39708741
+H      3.49419749      1.71611701     -2.91529596
+H      2.64589653      2.68803836     -1.69434571
+H      5.16461602      0.75483194      0.12118795
+H      4.46277788      2.23601644      0.08240910 
+
+17
+-1681.1368803423404 11.849674 12.55372 -8.4023 -6.4796 -9.334 0.7624 -0.2047 1.051 8.47934 -0.47414 5.005562792 11.3869238344 0.250654113
+C      0.99125657      0.06907241      0.25962490
+C      2.48085602      0.11510723     -0.04462024
+C      3.34141192      0.97152711      0.93503897
+N      3.93979984     -0.27098749      1.44496076
+C      3.30303969     -1.12531601      0.42328764
+C      5.16814853     -0.41916797      2.03712893
+N      5.91117014      0.47836069      2.58823124
+H      0.48348123     -0.68757967     -0.35663880
+H      0.51566181      1.04009208      0.05598820
+H      0.81322502     -0.17968063      1.31701338
+H      2.65366807      0.36919759     -1.09922147
+H      2.77683431      1.54686077      1.68745414
+H      4.07564391      1.63730854      0.44678596
+H      4.00729857     -1.51724945     -0.32968141
+H      2.70955064     -1.95728359      0.83644439
+H      5.51114071     -1.46579575      2.04196905
+H      5.47237302      1.40985412      2.51888437 
+
+15
+-1546.4002227001472 10.664457 11.77881 -9.5123 -7.4093 -10.622 0.9504 -0.1707 1.398 9.94018 -0.9868 5.3468714528 12.0068786316 0.183212103
+C      0.85708339      0.07542267      0.27074983
+C      2.32913671     -0.06204196     -0.08488824
+C      3.28246395      0.93691490      0.62697100
+N      3.60959880     -0.11582921      1.63064331
+C      3.07640485     -1.17705254      0.73201967
+C      4.08869129     -1.89500132     -0.04358898
+N      4.92811196     -2.44379280     -0.64307818
+H      0.27560345     -0.77935361     -0.10447319
+H      0.43778339      0.98788543     -0.17789050
+H      0.71796332      0.13726421      1.36007218
+H      2.47010323     -0.13958364     -1.17015444
+H      2.81826002      1.83441353      1.06401623
+H      4.12910499      1.23776091     -0.01269248
+H      4.59977165     -0.21326664      1.86521252
+H      2.43355900     -1.91332994      1.24423128 
+
+17
+-1657.4481022388366 12.209414 12.62866 -8.1094 -6.1976 -8.861 1.1349 -0.1118 0.756 8.22377 -0.18908 4.735521284 5.2468643452 0.3192798
+C      0.89322316      0.01039900      0.15854789
+C      2.38672211      0.02695071     -0.11825106
+C      3.25355121      1.08403173      0.61974758
+N      4.22449690      0.00059795      0.92337664
+C      3.26599783     -1.06203972      0.56309620
+N      4.97739743     -0.10657653      2.03567163
+C      5.32635998      0.96981594      2.65964496
+H      0.41521968     -0.86754218     -0.30154644
+H      0.40260823      0.90652917     -0.24990280
+H      0.69000970     -0.02315415      1.23956443
+H      2.57914990      0.05942958     -1.20050869
+H      2.77505389      1.47340457      1.54013679
+H      3.65615528      1.92346367      0.03328850
+H      3.68334538     -1.85947406     -0.06928131
+H      2.77965299     -1.50636482      1.44933237
+H      5.97427447      0.85302631      3.52849773
+H      5.02913186      1.98162286      2.34966558 
+
+18
+-1804.6178461299871 11.488829 12.53285 -8.1458 -6.0852 -9.577 0.915 -0.0138 3.068 8.97329 -2.71934 7.7632842012 10.8061114174 0.137777144
+C      0.99754887      0.08857489      0.18082878
+C      2.49525262     -0.08702298     -0.09442691
+C      2.86787594     -1.51221747     -0.57538386
+N      2.84052283     -1.41087528     -2.05015163
+C      3.36057944     -0.08679467     -2.39176111
+C      2.31296193      0.99233221     -2.51818542
+C      3.06891556      0.80723358     -1.21122090
+H      0.75586420      1.13824455      0.40280252
+H      0.68832120     -0.51947326      1.04395112
+H      0.39190843     -0.22468722     -0.68146838
+H      3.04475907      0.13468480      0.83426734
+H      2.14902996     -2.27176160     -0.22842256
+H      3.86994784     -1.78344439     -0.18355405
+H      3.37913049     -2.15113419     -2.49835038
+H      4.29690549     -0.02075393     -2.95249103
+H      2.55156927      1.88730687     -3.09601998
+H      1.27872697      0.65365691     -2.58458033
+H      3.77109988      1.59129119     -0.92648323 
+
+16
+-1666.2588489518032 11.68669 12.28444 -8.2691 -6.2602 -8.86 1.0892 -0.0318 1.4 8.28762 -0.75579 6.1458992298 6.1458992298 0.424244737
+C      1.25561741      0.08074341      0.58345134
+C      2.42191510     -0.06321761     -0.06229851
+C      3.00183862     -1.37755985     -0.58109971
+N      4.47803898     -1.21811752     -0.63374256
+C      4.71266932      0.22244278     -0.69065363
+C      4.01302101      0.98686584     -1.76622529
+C      3.42477032      0.98759825     -0.34962224
+H      0.89314277      1.06034705      0.89912865
+H      0.62280255     -0.77913070      0.81110003
+H      2.62186319     -1.57455833     -1.59797781
+H      2.72566858     -2.24267666      0.03560273
+H      4.85882475     -1.54602523      0.25818635
+H      5.69256108      0.55286412     -0.34570032
+H      4.47409463      1.92018758     -2.08909340
+H      3.48514586      0.44527574     -2.55256152
+H      3.41411584      1.91828114      0.21790587 
+
+20
+-1954.4619052088506 12.147983 13.32792 -8.571 -6.5135 -10.04 0.9071 -0.0125 2.924 9.31893 -2.63017 8.2696678224 10.6184958022 0.128493893
+C      0.97011171      0.01720489     -0.02617220
+C      2.49566366      0.00560491      0.03777754
+C      3.11825636      1.11192525      0.91171046
+N      4.48652098      0.67284993      1.22466902
+C      4.37028139     -0.79086065      1.41321689
+C      3.10377256     -1.28884677      0.64110945
+C      3.39766324     -2.37276012     -0.39634626
+H      0.58269099     -0.81430570     -0.63391429
+H      0.59162120      0.95136068     -0.46814498
+H      0.53772451     -0.07614283      0.98294366
+H      2.89657043      0.12595628     -0.98688579
+H      2.54921786      1.20550182      1.85579910
+H      3.12634359      2.10175590      0.43268631
+H      5.06930429      0.84670736      0.40130579
+H      5.29121962     -1.28833039      1.07429583
+H      4.26422875     -1.00415936      2.48989624
+H      2.38228897     -1.69465849      1.37222055
+H      4.14738246     -2.02365484     -1.12490370
+H      2.49284613     -2.65351012     -0.95748272
+H      3.78868129     -3.28698774      0.07522910 
+
+16
+-1670.7638421824588 12.39556 12.57592 -8.5684 -6.603 -8.589 0.3011 -1.245 0.347 8.0059 0.17701 5.0802147626 7.0517781416 0.454802021
+C      1.05120737      0.01338140      0.31693548
+C      2.36895755     -0.00124596      0.05739823
+C      3.25642792      1.22539799     -0.12913164
+N      4.43785297      0.76839331     -0.89025051
+C      4.63787490     -0.62193601     -0.43073664
+C      3.24782463     -1.17728759     -0.13822877
+C      2.91115304     -2.47710952     -0.10461579
+H      0.47413618     -0.90721779      0.42372513
+H      0.50631592      0.95195566      0.43066629
+H      3.59451242      1.59660163      0.85571385
+H      2.75181253      2.05606664     -0.64020102
+H      4.17024022      0.72931759     -1.87883511
+H      5.19565041     -1.20886211     -1.17239690
+H      5.23729972     -0.60257157      0.49786733
+H      1.88846446     -2.80315631      0.09486721
+H      3.65234976     -3.25929736     -0.27668714 
+
+20
+-1933.2754424847783 12.39886 13.63506 -8.0007 -6.0166 -9.484 0.9324 0.0372 3.121 8.69787 -2.84068 7.5549257282 10.041502154 0.092348118
+C      0.85590757      0.06940315      0.61453501
+C      2.15967829     -0.17715565     -0.13198533
+C      3.25588173      0.90113642      0.08606287
+N      3.88611277      0.02275473      1.08974273
+C      5.32825034      0.01650923      1.21674909
+C      3.14649570     -1.16507904      0.56482258
+C      3.89478128     -2.08640451     -0.39666076
+H      0.20674077     -0.81924021      0.58445974
+H      0.29589422      0.90717514      0.17179997
+H      1.05367949      0.31175972      1.66928075
+H      1.96616204     -0.42014737     -1.18749776
+H      2.93042748      1.88246643      0.47265711
+H      3.87754568      1.06587815     -0.81897975
+H      5.63716091     -0.74658746      1.94736507
+H      5.65913070      0.99313513      1.60227402
+H      5.87163531     -0.17205208      0.26494429
+H      2.70195395     -1.76717685      1.37940508
+H      4.31750246     -1.53700820     -1.25148881
+H      3.20257070     -2.84438064     -0.79382277
+H      4.71576861     -2.61910610      0.10616688 
+
+18
+-1812.2419083818932 12.107724 12.93756 -8.8107 -6.7434 -9.162 0.9705 -0.2408 1.396 8.52745 -0.72775 6.3326717402 6.3326717402 0.393376304
+C      0.93897034      0.03605634      0.04258627
+C      2.46603434     -0.00151753      0.03768586
+C      3.15615253      1.12356353      0.84815646
+N      4.50355149      0.63453055      1.18782487
+C      4.30317999     -0.80497948      1.45706846
+C      3.09645960     -1.25286884      0.63602975
+C      2.66831502     -2.51261620      0.49650256
+H      0.51223111     -0.78568796     -0.54994915
+H      0.56625251      0.97867655     -0.38524404
+H      0.55146375     -0.05345519      1.06874986
+H      2.81891704      0.08274701     -1.00883134
+H      2.59743022      1.29734735      1.78604798
+H      3.21214797      2.08090779      0.31174801
+H      5.09161743      0.72322311      0.35384728
+H      5.21547378     -1.37780541      1.23834894
+H      4.08664675     -0.93849355      2.53254474
+H      1.77940451     -2.75953822     -0.08760961
+H      3.19265163     -3.34753985      0.96656310 
+
+19
+-1827.850120282432 11.718353 12.69725 -8.4592 -6.3288 -9.972 0.8347 -0.1165 2.95 9.29706 -2.64525 8.1344982852 11.7626882046 0.092930357
+C      1.03551704      0.02128165     -0.20496103
+C      2.54238119      0.04351599      0.02183967
+C      3.04897907      1.10460612      1.00808487
+N      4.40732061      0.68453509      1.41502627
+C      4.47900906     -0.78821240      1.23263823
+C      3.11441532     -1.24630337      0.66042646
+N      3.25170086     -2.44627321     -0.16580863
+H      0.74072643     -0.80494009     -0.87107272
+H      0.67759765      0.95404267     -0.66566791
+H      0.49904773     -0.10847303      0.74892197
+H      3.05969927      0.19318621     -0.94680116
+H      2.38714429      1.12905497      1.89530083
+H      3.06777912      2.12320593      0.59369414
+H      5.08636979      1.12931773      0.79720101
+H      5.28602207     -1.06438215      0.53282194
+H      4.69360069     -1.29740391      2.18573260
+H      2.45161885     -1.51896615      1.50245545
+H      3.76454768     -2.21973263     -1.02396214
+H      2.33198327     -2.78666941     -0.45658985 
+
+19
+-1813.8355008323829 11.855818 12.76938 -8.4323 -6.3628 -9.919 0.8061 -0.1491 2.842 9.42534 -2.50065 7.8606256098 10.7733791134 0.068396575
+C      0.92791549      0.04033332      0.15838524
+C      2.43411755     -0.02314911     -0.04899411
+C      2.79310564      0.01945977     -1.53254285
+N      3.21645440      1.03928937      0.69423395
+C      4.14102880     -0.01081705      1.23982596
+C      3.20250336     -1.13925501      0.77105820
+N      3.81921806     -2.31662903      0.19086578
+H      0.67050618     -0.02042524      1.22747172
+H      0.42379799     -0.79130694     -0.35820029
+H      0.51426115      0.97965370     -0.24165510
+H      3.88268202      0.02951527     -1.68195719
+H      2.39554919      0.93955736     -1.98495584
+H      2.37442896     -0.84375215     -2.07285753
+H      2.63801940      1.40754590      1.45518077
+H      5.10219921     -0.00380869      0.69764482
+H      4.35544594      0.05140327      2.31657776
+H      2.55774427     -1.47295924      1.60119472
+H      4.34206574     -2.07526098     -0.65471873
+H      3.11932666     -3.01265453     -0.07365727 
+
+19
+-1811.495494427775 12.014395 13.09507 -8.544 -6.4374 -9.793 0.8159 -0.137 2.934 9.3525 -2.56796 7.8793350972 11.1724528516 0.154769649
+C      0.80856425      0.24493666     -0.34843127
+C      2.26280766      0.13877960      0.06954125
+C      2.51505522      0.23461292      1.56137979
+N      2.12490250     -0.99882276      2.26977925
+C      3.16381622     -0.77801524     -0.74006386
+C      3.31054612      0.70896552     -0.89989793
+N      4.55230078      1.35584228     -0.54131378
+H      0.71025753      0.23435441     -1.44408552
+H      0.35439868      1.17932116      0.02018164
+H      0.20771885     -0.59761769      0.03264352
+H      2.00122786      1.14485855      1.93903788
+H      3.59106181      0.38855720      1.74380021
+H      1.11764867     -1.15021211      2.17040739
+H      2.28980956     -0.88330089      3.27278116
+H      2.73148801     -1.36015291     -1.55546705
+H      3.94456652     -1.30191210     -0.18395699
+H      2.88007688      1.13203889     -1.81402904
+H      5.08911865      0.79370172      0.12014007
+H      4.38627423      2.26736482     -0.10754670 
+
+19
+-1817.176285216958 11.905132 12.94387 -8.6322 -6.496 -10.141 0.8109 -0.137 2.878 9.66843 -2.58958 8.1562702268 11.3203433524 0.095173765
+C      0.90570757     -0.03602848     -0.04774997
+C      2.42047460      0.01875923      0.03303061
+C      3.13955919      1.07866869      0.95530925
+N      2.45278147      1.56427914      2.15246147
+C      4.19385505     -0.01188339      1.28677659
+C      3.20480156     -1.09893321      0.79667979
+N      3.77570782     -2.26522585      0.13920845
+H      0.56997263     -0.93682391     -0.58529153
+H      0.49117348      0.83491150     -0.57975741
+H      0.45045111     -0.06164154      0.95501584
+H      2.85181888      0.10484723     -0.98063233
+H      3.52266934      1.95926389      0.41826865
+H      2.10288302      0.78417916      2.71549906
+H      1.63470866      2.12152934      1.89182223
+H      5.06790729      0.05311367      0.62135841
+H      4.54595392     -0.05992993      2.32664395
+H      2.59612484     -1.46675511      1.64130859
+H      4.26101253     -1.98193765     -0.71711365
+H      3.04170702     -2.91980277     -0.14220802 
+
+16
+-1676.2990387470861 12.747795 12.54608 -8.3698 -6.3962 -8.259 0.8057 -0.7423 0.413 7.72974 0.14301 5.0304591808 5.0304591808 0.697202109
+C      0.86405388     -0.03443367     -0.12259567
+C      2.20640221     -0.02695232     -0.00135176
+C      2.99045489      1.24296358      0.25885597
+N      4.27884920      1.18589574     -0.44254239
+C      5.11541989      0.08435409      0.03561245
+C      4.35461935     -1.20866538      0.02074530
+C      3.00756359     -1.24456899     -0.03612025
+H      0.28144462      0.88779583     -0.08929609
+H      0.31449108     -0.96843142     -0.25459837
+H      2.42857058      2.11619843     -0.10227991
+H      3.10715767      1.35303092      1.36249195
+H      4.77396810      2.07094396     -0.32348934
+H      5.51108836      0.24659808      1.06761912
+H      5.99650180      0.00127237     -0.62226782
+H      4.93576069     -2.13309885      0.04664342
+H      2.48148409     -2.20156237     -0.09176661 
+
+18
+-1814.529191612079 12.040217 12.74112 -8.6203 -6.555 -8.878 0.9024 -0.0089 1.426 8.41646 -0.78051 6.0197186776 12.2242508868 0.283559547
+C      0.93379003      0.05317689     -0.01488726
+C      2.47621321      0.02114070      0.00130483
+C      3.01873348      0.10437308     -1.43133026
+N      2.94812347     -1.23762387      0.66432461
+C      3.41540172     -0.88589376      2.02791826
+C      3.52546718      0.61919877      2.03071454
+C      3.01159634      1.12249581      0.90368451
+H      0.53831315     -0.08539536      1.00057640
+H      0.54584825     -0.75706952     -0.64885233
+H      0.56051810      1.01335262     -0.40242714
+H      4.11786033      0.15366476     -1.43401605
+H      2.63641043      0.99736814     -1.94634836
+H      2.70253442     -0.77718233     -2.00985028
+H      3.75377998     -1.57840328      0.13665949
+H      4.36681376     -1.39232296      2.26034669
+H      2.69044943     -1.22372299      2.79414074
+H      3.91892935      1.19420875      2.87029866
+H      2.91472737      2.18213457      0.66089295 
+
+20
+-1940.6580656046951 12.275932 13.41614 -9.1748 -6.9356 -10.537 0.8925 -0.0578 2.943 9.90215 -2.60719 8.6327236276 12.8058568142 0.080255019
+C      0.86819625     -0.09490806      0.16944139
+C      2.38315598     -0.03127881      0.00357990
+C      2.78932728     -0.04406102     -1.47909250
+N      2.29282476      1.13668271     -2.20136747
+C      3.13054507      1.08798899      0.79575020
+C      4.18607370      0.04209874      1.24573468
+C      3.21655419     -1.08619467      0.80033061
+H      0.59449474     -0.14233386      1.23406949
+H      0.44850530     -0.98686916     -0.32501679
+H      0.37874096      0.79656584     -0.25332045
+H      2.45847166     -1.01182385     -1.91457359
+H      3.88975940     -0.03050363     -1.54452942
+H      1.29008279      1.04704833     -2.37960577
+H      2.73891052      1.19761811     -3.11813209
+H      2.53028832      1.45862456      1.63998705
+H      3.47000517      1.94693894      0.20070215
+H      5.09996589      0.07638801      0.63590749
+H      4.48097817      0.05310063      2.30372270
+H      3.63717601     -1.92405702      0.22237066
+H      2.64511384     -1.49926478      1.64503177 
+
+20
+-1956.2781759186446 12.22973 13.5298 -8.6108 -6.5978 -10.051 0.9191 0.0018 3.005 9.30315 -2.7244 8.2023682216 10.83389668 0.134722536
+C      0.91073171      0.02254581      0.17818944
+C      2.42508295      0.02914659     -0.03106084
+C      3.16894231      1.11774063      0.78769705
+N      4.52209774      0.61451934      1.05945837
+C      4.32131250     -0.82929652      1.31083301
+C      5.60791715     -1.62401347      1.13939023
+C      3.14516409     -1.28093507      0.39457229
+H      0.42185738     -0.75475025     -0.42768598
+H      0.46200680      0.98909065     -0.09858694
+H      0.66379704     -0.17107441      1.23456759
+H      2.62776230      0.21255558     -1.10015673
+H      2.65392539      1.26889272      1.75446720
+H      3.20846268      2.09306009      0.28189953
+H      5.08212951      0.71146561      0.20428553
+H      3.99331953     -0.91544841      2.36355166
+H      5.96630276     -1.56617833      0.09820872
+H      5.44821340     -2.68518494      1.37716517
+H      6.39793587     -1.23880665      1.79911473
+H      3.52817071     -1.82557017     -0.48299713
+H      2.46302818     -1.96370881      0.92564711 
+
+18
+-1815.518656100233 12.122171 12.77216 -8.5975 -6.4709 -8.92 0.888 -0.0375 1.492 8.40996 -0.84356 6.2119837678 6.2119837678 0.350425212
+C      0.91821330      0.04912943     -0.10854190
+C      2.42798223     -0.03904624      0.17415396
+C      3.18895812      1.20782821     -0.30961905
+N      3.34306471      1.14975819     -1.76703391
+C      4.24868751      0.07227614     -2.16975427
+C      3.87761975     -1.21734501     -1.49431443
+C      3.04050564     -1.26978445     -0.44868501
+H      0.46032154      0.87123439      0.46265517
+H      0.40495204     -0.88312604      0.16918027
+H      0.74942342      0.22858963     -1.17942651
+H      2.56758409     -0.11087111      1.26898106
+H      2.62568894      2.11854078     -0.05426149
+H      4.16576291      1.25722256      0.22141590
+H      3.68875649      2.04264959     -2.12035310
+H      5.31987223      0.29206207     -1.94484778
+H      4.18272361     -0.05280023     -3.26397611
+H      4.32495641     -2.13076204     -1.89481953
+H      2.77728705     -2.23770586     -0.01101328 
+
+13
+-1448.6090223605586 10.888521 10.87492 -9.3103 -7.2827 -8.975 -0.0466 -1.5959 -0.418 8.51958 0.81554 3.6072114882 7.297505995 0.521630639
+C      1.02622200     -0.01142649      0.06037174
+C      2.52597688      0.02265127     -0.01524073
+C      3.24091078      1.23234436     -0.04768090
+N      4.57778397      1.29145052     -0.12725197
+C      5.21035600      0.10859197     -0.17242959
+C      4.51263007     -1.10117572     -0.13486418
+N      3.17542484     -1.15827300     -0.05734383
+H      0.60409430      0.99227566      0.19514580
+H      0.70203267     -0.65162126      0.89224455
+H      0.60949035     -0.44536742     -0.86045631
+H      2.70920952      2.18875809     -0.00515887
+H      6.30202318      0.12755668     -0.23995492
+H      5.04711545     -2.05591466     -0.16818079 
+
+15
+-1580.8605059871786 11.309877 12.07714 -8.1964 -6.2907 -8.086 0.7487 -0.1238 0.88 7.57694 -0.18598 4.6025215018 6.4394732806 0.358691104
+C      0.93128992      0.05543849     -0.00819797
+N      2.38286916     -0.01830463     -0.00026592
+C      3.26302610      1.03252701      0.00334854
+N      4.52323659      0.63064919      0.00914359
+C      4.47005427     -0.75161927      0.00917457
+C      5.71158145     -1.58404538      0.01492411
+C      3.15288107     -1.17034890      0.00327455
+H      0.63020748      1.10954926      0.00130040
+H      0.51104670     -0.43731219      0.87976676
+H      0.52090667     -0.41873311     -0.91086303
+H      2.92022964      2.06483672      0.00186111
+H      5.47179686     -2.65533014      0.02215679
+H      6.32764331     -1.36137817      0.89868564
+H      6.32819692     -1.37374511     -0.87156767
+H      2.70137386     -2.15733375      0.00158852 
+
+19
+-1825.3872031498756 11.713486 12.53294 -8.266 -6.1936 -9.658 0.8511 -0.0962 3.248 9.0722 -2.94484 7.8540667504 11.4931798364 0.114629339
+C      0.96827423      0.00016774      0.10681493
+C      2.49175484      0.01047495     -0.05316265
+C      3.03028085     -1.32777323     -0.60068771
+N      2.64241484     -1.47860130     -2.00684259
+C      3.22883059     -0.41224688     -2.82400292
+C      2.69929628      0.93481968     -2.32225792
+N      2.92620067      1.15810558     -0.88501063
+H      0.61867066      0.98295020      0.45047900
+H      0.66756889     -0.75755263      0.84518038
+H      0.46770630     -0.24437156     -0.83965451
+H      2.93905562      0.16951372      0.94272992
+H      2.61681272     -2.17073464     -0.02426402
+H      4.13722531     -1.33627975     -0.46560059
+H      2.93383481     -2.39290948     -2.35413099
+H      4.34356801     -0.40057243     -2.77227799
+H      2.94259974     -0.56649620     -3.87661512
+H      3.17013444      1.76100114     -2.87682946
+H      1.61586886      0.98760572     -2.51663200
+H      3.93172236      1.29181937     -0.73879512 
+
+19
+-1811.4100571188492 11.807611 12.79571 -8.5699 -6.4857 -10.068 0.8481 -0.1164 3.008 9.3742 -2.66155 8.1256332862 10.8584583066 0.084333922
+C      0.89898318     -0.10122269      0.17934097
+C      2.40787703      0.00668449     -0.00392627
+C      2.80793592     -0.00271402     -1.48979500
+N      2.23971749      1.13561005     -2.22620072
+C      3.14518727      1.12015962      0.79424614
+C      4.14848628      0.02536749      1.22514177
+N      3.17370473     -1.01514315      0.78757238
+H      0.65795406     -0.16601950      1.24877799
+H      0.50698653     -1.00720793     -0.31103750
+H      0.38212493      0.77583797     -0.23938955
+H      2.52917272     -0.99601243     -1.90601788
+H      3.90562491      0.07572901     -1.55506743
+H      1.24248187      0.98642667     -2.39503351
+H      2.67562425      1.20961475     -3.14713203
+H      2.54644649      1.50405736      1.63075627
+H      3.52316738      1.95919837      0.19782378
+H      5.08617667      0.05466862      0.64169319
+H      4.40571388     -0.03026687      2.29424041
+H      3.57506440     -1.76857784      0.21991700 
+
+17
+-1708.191280577014 11.377116 12.31343 -8.3439 -6.3654 -9.175 0.7844 -0.1507 1.093 8.52837 -0.41999 5.2101768878 7.9206224352 0.147571511
+C      0.98931047     -0.02756994     -0.02056615
+C      2.51756463      0.03397460     -0.04174630
+C      3.17033376     -1.16474601     -0.79110893
+N      3.48437142     -0.68766741     -2.14938563
+C      3.37259516      0.59796641     -2.10956318
+C      3.64694968      1.50055644     -3.26987562
+N      3.03016308      1.14926071     -0.86724941
+H      0.55480548      0.88865277      0.40763307
+H      0.64868466     -0.87452439      0.59351847
+H      0.59263832     -0.16052253     -1.03838123
+H      2.90243850      0.12372748      0.98596947
+H      2.50648299     -2.04267793     -0.82938055
+H      4.10617404     -1.48015755     -0.29845262
+H      4.46202401      2.19951169     -3.03134164
+H      2.76007355      2.10082654     -3.52619763
+H      3.93173016      0.89728342     -4.13803461
+H      2.48429008      2.01065568     -0.87472751 
+
+17
+-1697.214203543603 11.614749 12.33027 -8.1499 -6.2165 -9.039 0.8534 -0.0797 0.975 8.32346 -0.33619 5.084417888 12.574226169 0.146565844
+C      0.97720595      0.12872754     -0.36020842
+C      2.40340516      0.00301442      0.16036518
+C      2.70487190     -1.33041442      0.89646858
+N      3.61916542     -0.88521313      1.96047629
+C      3.81215858     -1.72655191      3.12801874
+C      3.39686102      0.48235226      2.07663440
+N      2.74186139      1.07000277      1.13683604
+H      0.75594239     -0.65308615     -1.10207522
+H      0.83182399      1.10800881     -0.83539943
+H      0.25643969      0.03943119      0.46607614
+H      3.10407576      0.11674418     -0.68866059
+H      3.17008699     -2.09324156      0.25619124
+H      1.78348313     -1.75894072      1.34419956
+H      4.34489303     -2.64722326      2.85080456
+H      2.85262447     -2.00987768      3.60388466
+H      4.42476989     -1.19215673      3.86633670
+H      3.82321123      1.01098439      2.93476158 
+
+15
+-1589.056821463473 11.339509 12.20875 -8.065 -6.0601 -7.879 0.6583 -0.2483 0.972 7.44582 -0.22516 4.5255013986 6.7761572636 0.239353044
+C      0.93224567     -0.00907355     -0.00834232
+C      2.42150438      0.05362285     -0.00041012
+C      3.31304258      1.10611781      0.00550448
+N      4.62056843      0.66109533      0.01210397
+C      4.54779505     -0.66065630      0.01007064
+C      5.70158691     -1.60890175      0.01426566
+N      3.23272589     -1.07355841      0.00249135
+H      0.52310251      1.00907815     -0.00211645
+H      0.53163463     -0.53175335      0.87506560
+H      0.54026257     -0.51754822     -0.90385523
+H      3.07468395      2.16708873      0.00570168
+H      5.36566727     -2.65425907      0.02416127
+H      6.33535411     -1.44365457      0.89693950
+H      6.33056437     -1.45915082     -0.87475577
+H      2.90874170     -2.03620683      0.00008574 
+
+15
+-1578.895160183064 11.127423 11.66891 -8.1236 -6.1999 -8.019 0.6871 -0.2211 0.9 7.53263 -0.17471 4.5704091278 6.5228042712 0.316515055
+C      0.97798711      0.03456491     -0.01074895
+N      2.43080868     -0.00574732     -0.00225398
+C      3.26612856      1.08694179      0.00884590
+N      4.54099876      0.74090439      0.01574155
+C      4.53293978     -0.63682622      0.00852825
+C      3.24253415     -1.13558462     -0.00256008
+C      2.71655273     -2.53591639     -0.01481566
+H      0.65958146      1.08332117     -0.00545853
+H      0.56202591     -0.45899670      0.87901787
+H      0.57261525     -0.44704675     -0.91185942
+H      2.87500675      2.10164039      0.01183778
+H      5.45777730     -1.20896682      0.01187027
+H      1.61920941     -2.56309271     -0.00322120
+H      3.06559891     -3.10185095      0.86131108
+H      3.04642524     -3.08088415     -0.91167487 
+
+19
+-1809.3553965054934 12.091164 13.02845 -8.3386 -6.3347 -9.799 0.9001 -0.0291 3.115 9.02001 -2.80821 7.8368698922 12.0035062124 0.095922963
+C      0.95102458     -0.11556701     -0.00928073
+C      2.45948662      0.01791453      0.04775268
+C      3.14609690      1.11155698      0.94868520
+N      2.46410777      1.58623339      2.14534699
+C      4.18133916      0.00417792      1.25738915
+N      3.18955329     -1.01143760      0.83210266
+C      3.67497664     -2.18627973      0.13523559
+H      0.65912480     -1.05451713     -0.50312349
+H      0.50712263      0.71156071     -0.58437417
+H      0.51411248     -0.11660381      0.99994061
+H      2.87398066      0.09984896     -0.98280760
+H      3.52875727      1.98096421      0.39722884
+H      2.07834939      0.79151208      2.66292343
+H      1.67432705      2.18602793      1.89388866
+H      5.05970804      0.06188078      0.58143468
+H      4.52648649     -0.08107022      2.30001461
+H      2.82666239     -2.79131905     -0.21755463
+H      4.26631403     -2.81140020      0.82100485
+H      4.31275982     -1.93343274     -0.74204733 
+
+17
+-1696.8033452602735 11.486309 12.10812 -8.1523 -6.2043 -9.038 0.8605 -0.1407 0.975 8.31817 -0.34572 5.080822294 9.4262588248 0.161342845
+C      1.13222298     -0.01461683      0.38577587
+C      2.56182139      0.01552159     -0.13945250
+C      2.95490115     -1.18109000     -1.04626310
+N      3.83015258     -0.63792581     -2.10639092
+C      3.69070071      0.64008527     -2.02767056
+N      2.83457372      1.14609708     -1.05583477
+C      3.02776850      2.47402726     -0.50125075
+H      0.89635925      0.87538140      0.98764240
+H      0.98297396     -0.89402485      1.02912447
+H      0.41814651     -0.06858153     -0.44874889
+H      3.26582847      0.08844432      0.71814660
+H      2.05622517     -1.61537604     -1.52157980
+H      3.45907839     -1.98757343     -0.49595622
+H      4.17873487      1.34027752     -2.71267465
+H      2.09618403      2.83739654     -0.04562608
+H      3.29838843      3.17100128     -1.30574786
+H      3.82463990      2.49638623      0.26865675 
+
+13
+-1451.106643757532 10.68338 10.78529 -9.3844 -7.3842 -9.324 0.1917 -1.3526 -0.102 9.57538 0.77032 4.1464390008 6.7227440948 0.403629371
+C      0.97001100     -0.00869905      0.00385774
+C      2.47332196      0.00907143      0.00304956
+C      3.21095902      1.20230587      0.00351381
+N      4.55108866      1.24059694      0.00338113
+C      5.16654502      0.04696390      0.00254761
+N      4.58601300     -1.16126464      0.00164881
+C      3.24331262     -1.16036489      0.00180700
+H      0.58483342     -1.03676967     -0.01137831
+H      0.56524126      0.51716526     -0.87324786
+H      0.56685737      0.48971810      0.89771695
+H      2.69725141      2.17096307      0.00361580
+H      6.26074517      0.06334679      0.00277691
+H      2.75560007     -2.14233311      0.00050087 
+
+15
+-1558.309843465418 11.394619 11.59058 -8.3972 -6.4597 -9.161 0.8408 -0.3324 0.948 8.55418 -0.3065 4.8021761576 6.4022154876 0.387914296
+C      0.97815531      0.02220523      0.49842491
+C      2.21067216     -0.00126888     -0.02307067
+C      2.95875835      1.25818894     -0.38935585
+N      4.30574485      1.17862992      0.17866171
+C      4.92315075     -0.04856270      0.30600186
+N      4.40588585     -1.21418559      0.14296753
+C      2.99648986     -1.26587298     -0.27126522
+H      0.44653357      0.95975810      0.67612929
+H      0.45602136     -0.90171907      0.75636139
+H      2.44481399      2.14556440      0.00653903
+H      3.00440230      1.35504742     -1.49255765
+H      4.90079190      1.99822050      0.11405710
+H      5.97332984      0.01874166      0.61835008
+H      2.97367731     -1.51167542     -1.35074474
+H      2.51570260     -2.11293153      0.24161123 
+
+15
+-1566.938856219595 11.588046 11.99029 -8.5029 -6.5712 -9.435 1.0453 -0.4532 1.048 8.65943 -0.44141 4.9387591352 6.0495125134 0.310939144
+C      1.01673048     -0.00961163      0.13650805
+C      2.34546887     -0.01596952     -0.00075967
+C      3.22395499      1.22276700     -0.07635459
+N      4.43636240      0.71404019     -0.70152056
+C      4.57831817     -0.65784943     -0.64792193
+N      5.67364107     -1.25320219     -0.96422015
+C      3.24527489     -1.22154220     -0.15625465
+H      0.44277936     -0.93661170      0.17824760
+H      0.45754121      0.92475747      0.21480375
+H      3.41637903      1.63019449      0.93627306
+H      2.75619983      2.01897295     -0.67661505
+H      5.27138759      1.28218992     -0.81088426
+H      5.55906767     -2.26919302     -0.88635924
+H      2.84159944     -1.96666570     -0.85633503
+H      3.41122503     -1.73233664      0.80686268 
+
+15
+-1563.8682949943923 11.410974 11.56701 -7.5699 -5.5604 -7.738 1.1326 -0.4712 0.47 7.3555 0.18282 3.8934455678 6.7547944758 0.278108016
+C      0.96342270      0.05371265      0.01848860
+C      2.47124610      0.04343271     -0.00597558
+C      3.22325656      1.16399563     -0.01051077
+N      4.62967976      1.21418142     -0.05081102
+C      5.21051191      0.05630322     -0.01776008
+N      4.58622178     -1.15769752      0.04736919
+C      3.13237496     -1.31626315     -0.05645276
+H      0.55578725     -0.96735154     -0.00716884
+H      0.54516974      0.59231678     -0.84537172
+H      0.57214475      0.53676661      0.92692723
+H      2.73783326      2.14457194      0.01806567
+H      6.30511161      0.00292213     -0.02259305
+H      5.16347594     -1.99181182      0.04210180
+H      2.76337769     -1.95247280      0.77286398
+H      2.85764601     -1.84639624     -0.99477265 
+
+15
+-1571.5902673655162 11.60704 12.02734 -7.7316 -5.7774 -8.294 0.9196 -0.1575 0.914 7.80385 -0.32663 4.8619002138 11.1649516986 0.37008468
+C      0.97370979      0.00183947      0.12340237
+C      2.45634442      0.00050841     -0.03527432
+C      3.28247628     -1.05933705     -0.13152423
+N      4.63359987     -0.65976786     -0.21131185
+C      4.73441143      0.73552959     -0.27649291
+N      5.76269218      1.48270635     -0.45852964
+C      3.30917128      1.24974513     -0.07948836
+H      0.57020460     -1.02014439      0.12452366
+H      0.48069610      0.55855176     -0.69111138
+H      0.66580966      0.48575018      1.06573889
+H      3.03508612     -2.11930524     -0.11920366
+H      5.38097261     -1.27445249     -0.51588729
+H      6.62072060      0.92418306     -0.56464635
+H      3.03726820      1.93786748     -0.89558335
+H      3.24893686      1.83424559      0.85386842 
+
+19
+-1808.6336466878563 11.791888 12.79412 -8.6472 -6.4614 -10.163 0.8618 -0.1037 2.919 9.49366 -2.57208 8.2585090824 9.9001209182 0.061127521
+C      0.95567286     -0.08343748      0.22222305
+C      2.44605257     -0.03604107     -0.11657739
+C      2.70605545     -0.07033276     -1.62151753
+N      2.16373327      1.12167207     -2.29267594
+C      3.20799209      1.05879540      0.68769768
+N      3.58254408      0.02653026      1.69600302
+C      3.27296562     -1.05590024      0.72325354
+H      0.81328935     -0.09564684      1.31204231
+H      0.48441162     -0.98798100     -0.19520922
+H      0.42593239      0.79805679     -0.17049517
+H      2.31831981     -1.03269782     -2.02188366
+H      3.79537065     -0.07455556     -1.78934208
+H      1.14299124      1.07208606     -2.32978766
+H      2.48004056      1.14670348     -3.26391859
+H      2.61156398      1.89134862      1.09387081
+H      4.05220932      1.47408638      0.10799431
+H      4.55707781      0.05973572      2.00164381
+H      4.14712937     -1.43775329      0.16130506
+H      2.72673797     -1.91116871      1.15495365 
+
+17
+-1679.6022221967578 11.736116 12.24207 -7.8891 -6.0039 -8.751 1.0694 -0.221 0.782 8.19332 -0.15217 5.0038021908 5.0038021908 0.117870236
+C      0.99408735      0.07593649     -0.27989285
+C      2.49978989     -0.03990985      0.01994463
+C      2.88470429     -1.32161539      0.78328618
+N      2.83017980     -0.88378878      2.19346704
+C      3.58987261     -1.66581682      3.15330369
+N      3.09828178      0.48124783      2.23983633
+C      2.93758535      0.97817177      1.05673898
+H      0.67633774     -0.70002139     -0.99183699
+H      0.75533336      1.05486647     -0.71950364
+H      0.40582085     -0.03627485      0.64194333
+H      3.06671618      0.05404557     -0.91863940
+H      3.91747829     -1.63711450      0.52634176
+H      2.20095274     -2.16411287      0.60566933
+H      3.16304803     -2.67642902      3.21461807
+H      3.51226427     -1.18790615      4.13693944
+H      4.66124316     -1.74914048      2.87864019
+H      3.00658430      2.05524198      0.90390391 
+
+17
+-1703.2794484635413 11.351674 12.01342 -8.341 -6.3436 -9.197 0.7678 -0.1602 1.059 8.48518 -0.44637 4.8331230632 8.256351726 0.225611468
+C      1.03357571     -0.02370529      0.50303083
+C      2.46684846      0.02770669     -0.02248318
+C      2.70203757      1.26407241     -0.89861106
+N      4.05340070      1.20195680     -1.44202599
+C      4.59491113     -0.02247522     -1.78036858
+N      4.11891912     -1.18947383     -1.52455487
+C      2.83240825     -1.23362595     -0.82439414
+H      0.78852130      0.86470725      1.10495344
+H      0.87880658     -0.90882473      1.13712073
+H      0.31103738     -0.07882420     -0.32692696
+H      3.16341621      0.09659238      0.83173393
+H      2.59356286      2.18497756     -0.30442802
+H      1.94221914      1.29632222     -1.70441145
+H      4.43042148      2.02338935     -1.90259453
+H      5.56005820      0.05037736     -2.29883147
+H      2.03757708     -1.44267986     -1.56644666
+H      2.84285883     -2.10462295     -0.14819201 
+
+17
+-1711.400306245545 11.560179 12.37386 -8.4236 -6.4762 -9.489 0.8014 -0.118 1.186 8.66486 -0.54405 4.9423671278 8.6644020506 0.219542845
+C      0.95841081      0.03100220     -0.04418887
+C      2.47952602     -0.03539787      0.03853364
+C      3.11989728      1.11805860      0.84088856
+N      4.40498195      0.55163337      1.22541571
+C      4.37650353     -0.82624093      1.34272023
+N      5.33001505     -1.49547019      1.88966752
+C      3.04807548     -1.28319814      0.74263216
+H      0.55618142     -0.80198639     -0.63850205
+H      0.62283988      0.96645216     -0.51671596
+H      0.50583290     -0.02159425      0.95828353
+H      2.90104485      0.00231282     -0.98018782
+H      2.49160167      1.37363926      1.71827645
+H      3.24671747      2.02857652      0.23615785
+H      5.07942030      1.06682469      1.78454668
+H      5.12502117     -2.49941501      1.83844126
+H      3.17887211     -2.14517044      0.07447485
+H      2.38777810     -1.59980642      1.56859626 
+
+16
+-1704.408346686683 11.969911 12.63358 -7.6819 -5.7965 -7.821 0.8689 0.0413 1.121 7.25517 -0.51808 4.7405675142 6.0460285068 0.425923486
+C      0.93715574      0.06577067     -0.01000475
+C      2.43682239      0.02783767     -0.00198388
+C      3.27905663      1.12964153      0.00839011
+N      4.57878484      0.67274354      0.01338170
+C      4.58530315     -0.70521702      0.00660093
+C      3.26835985     -1.14240064     -0.00316835
+C      2.80139338     -2.57109159     -0.01390716
+H      0.57137155      1.10182871     -0.00293598
+H      0.50837415     -0.44043730      0.86945975
+H      0.51800062     -0.42507076     -0.90272475
+H      3.05347740      2.19147604      0.01281806
+H      5.40389569      1.25956741      0.02144393
+H      5.51718231     -1.26231060      0.00927116
+H      1.70430519     -2.62602550     -0.00658283
+H      3.16082158     -3.12842733      0.86475551
+H      3.14784553     -3.11117483     -0.90855344 
+
+15
+-1578.9360180800968 11.621391 11.93071 -7.2308 -5.3135 -7.716 0.9122 0.016 1.109 7.15435 -0.54405 4.6523390766 5.8453571658 0.327132039
+C      0.93304391      0.03025625      0.02802951
+C      2.43058741      0.01497230      0.01710433
+C      3.28488015      1.10728091     -0.03521953
+N      4.57842286      0.64610170     -0.01551070
+C      4.58306952     -0.73891851      0.04501184
+C      3.25853060     -1.15421656      0.06640417
+N      2.76903215     -2.47360319      0.20970175
+H      0.54789041      1.05889064      0.03381811
+H      0.53002010     -0.48246517      0.91623033
+H      0.50485656     -0.47065822     -0.85744399
+H      3.06234188      2.16856047     -0.08197297
+H      5.40618061      1.22756762     -0.02181401
+H      5.50967809     -1.30202337      0.07665218
+H      1.92050751     -2.62620787     -0.33627064
+H      3.45762823     -3.17514699     -0.05955038 
+
+16
+-1705.811714046015 12.138873 13.0055 -7.4867 -5.6339 -7.637 0.8196 -0.0501 1.159 7.11317 -0.52472 4.6195695768 6.1146299606 0.430811826
+C      0.92954623     -0.03471631     -0.00999980
+C      2.42084177      0.03902804      0.00058681
+C      3.28379233      1.12538186      0.00856181
+C      4.62961895      0.64473222      0.01503568
+C      5.87841960      1.48052481      0.02608662
+C      4.55171330     -0.73926962      0.01084074
+N      3.21415863     -1.09009982      0.00228686
+H      0.50948112      0.97885005     -0.00260629
+H      0.53133660     -0.56315350      0.87157934
+H      0.54293924     -0.54542621     -0.90710830
+H      2.97673377      2.16881937      0.00932872
+H      5.62796316      2.55000149      0.00885418
+H      6.51698515      1.27915223     -0.84756911
+H      6.48692255      1.30098227      0.92574024
+H      5.32912787     -1.49698456      0.01358554
+H      2.86457973     -2.04154231     -0.00283303 
+
+15
+-1580.7492233349433 11.631443 12.22771 -7.547 -5.6334 -7.67 0.8379 -0.0795 1.141 7.18274 -0.52251 4.6158995912 6.1068436398 0.416830157
+C      0.92973233      0.03309947      0.04406072
+C      2.42838790      0.00581040      0.00024822
+C      3.26777221      1.10613432     -0.06858092
+N      4.57130986      0.64933341     -0.08512429
+C      4.58795335     -0.72847919     -0.02320033
+N      5.83860965     -1.39680219     -0.06617143
+C      3.26798495     -1.15278943      0.03365508
+H      0.55117838      1.06319417     -0.01323384
+H      0.54056944     -0.41215863      0.97314135
+H      0.48961417     -0.52938564     -0.79422862
+H      3.03934316      2.16668587     -0.10300889
+H      5.40783391      1.20838075     -0.21131684
+H      5.76512189     -2.26832837     -0.59151819
+H      6.18316428     -1.62806986      0.86940728
+H      2.94228452     -2.18775509      0.10668070 
+
+15
+-1575.9542061977884 11.114907 11.86306 -8.6238 -6.7345 -8.781 0.8612 0.0237 0.552 8.18627 0.01966 4.846922705 11.314714388 0.336388421
+C      0.90812816      0.08026695     -0.00881164
+C      2.40685032      0.05010857     -0.00254717
+C      3.27582428      1.13361822      0.00683358
+N      4.53656112      0.61793986      0.00964247
+N      4.55937469     -0.73477270      0.00275331
+C      3.26280032     -1.08948007     -0.00471240
+C      2.87214661     -2.53633665     -0.01449648
+H      0.53264495      1.11232472     -0.00094568
+H      0.48665223     -0.43017931      0.87091949
+H      0.49418247     -0.41400606     -0.90127397
+H      3.09226441      2.20412105      0.01179011
+H      5.41531952      1.12366315      0.01637575
+H      1.78055859     -2.64884342     -0.00955791
+H      3.27296822     -3.06075446      0.86492498
+H      3.26297410     -3.04647986     -0.90684445 
+
+13
+-1389.414300599591 11.207602 10.89972 -8.5845 -6.6747 -8.976 0.0476 -1.6226 -0.329 8.47815 0.79724 4.6093283332 5.050259745 0.300661579
+C      0.90078737      0.04143000      0.17552821
+C      2.23064655      0.07063544     -0.04324869
+C      3.11927938      1.23163637      0.05949689
+N      4.34860779      1.00886404     -0.28240599
+N      4.45695300     -0.33263198     -0.79456820
+C      4.37336088     -1.29521418      0.32036860
+C      3.14279466     -1.00687102     -0.49650605
+H      0.32315541     -0.87845107      0.08607063
+H      0.36057856      0.94741270      0.45104482
+H      2.82647337      2.21639129      0.43044304
+H      4.89294879     -2.24102473      0.15603962
+H      4.43211559     -0.87914490      1.32835270
+H      2.80454867     -1.75218196     -1.21728559 
+
+15
+-1528.40449878336 10.526356 11.1173 -8.9784 -6.9581 -9.907 1.1212 -0.5095 0.711 9.50352 -0.0711 5.0015704428 11.0021704792 0.150040415
+C      0.94163874     -0.07883093      0.07495043
+C      2.45020574      0.12179808     -0.13147063
+C      3.03811539      1.27389283      0.65942368
+N      4.08156250      1.01554309      1.36176106
+N      4.48361175     -0.35907743      1.13953906
+C      3.50633008     -1.25730163      1.80792070
+C      3.36875908     -0.99223963      0.34742410
+H      0.58401582     -0.94336153     -0.50136290
+H      0.37609652      0.80263702     -0.26040041
+H      0.70559488     -0.25401266      1.13403558
+H      2.63045970      0.29482740     -1.20944491
+H      2.61039171      2.28082773      0.68076424
+H      3.91799224     -2.21295585      2.13843768
+H      2.81204452     -0.77633512      2.50065806
+H      3.68594134     -1.76106137     -0.35855574 
+
+15
+-1549.7124140158262 10.821643 11.44267 -9.5939 -7.6136 -9.571 0.3634 -1.3018 0.294 9.17711 0.31358 4.9092628658 8.8724505586 0.188087854
+C      0.86193576      0.07303767      0.09600519
+C      2.39978197      0.03750696      0.08702871
+C      3.06429275      1.11890177     -0.70870809
+N      3.86139861      0.66591941     -1.61839104
+N      3.83885653     -0.78284409     -1.55605501
+C      3.02622376     -1.14511711     -0.61133851
+C      2.77681073     -2.57736648     -0.28085221
+H      0.49643033      0.99387996      0.56975842
+H      0.45476348     -0.77919747      0.65702401
+H      0.46826804      0.03365945     -0.92869175
+H      2.76711711      0.07588000      1.13098196
+H      2.92277090      2.19309249     -0.56990076
+H      3.34736372     -3.21987921     -0.96124788
+H      1.70728334     -2.82466709     -0.36859976
+H      3.07391296     -2.80243627      0.75518670 
+
+17
+-1687.846998597146 11.475926 12.18892 -8.0714 -6.0588 -8.857 0.8964 -0.1205 0.939 8.36804 -0.26023 5.1638061238 10.8987661552 0.183284611
+C      0.89652760      0.04104667      0.06317467
+C      2.43167946     -0.04325301     -0.01946464
+C      3.01409084     -1.30489706      0.64479604
+N      3.26382861     -0.82679271      2.02444253
+N      3.54883690      0.54536797      1.96631615
+C      3.09665762      1.02004384      0.85101375
+C      3.13640432      2.47607916      0.52975658
+H      0.42974249     -0.75840468     -0.53036117
+H      0.52898705      1.00229235     -0.32376688
+H      0.55942067     -0.06015624      1.10475355
+H      2.74575528      0.03963384     -1.07193241
+H      3.95431694     -1.60520941      0.14462832
+H      2.32022034     -2.15763768      0.64370125
+H      4.01853528     -1.30510163      2.51631639
+H      3.65376450      2.65833720     -0.42601467
+H      3.65629552      3.02361298      1.32529260
+H      2.12124655      2.89393841      0.42665793 
+
+15
+-1569.7301125057475 11.278767 12.06837 -8.5748 -6.6497 -8.697 0.8471 0.0054 0.55 8.12755 0.02182 4.76292219 6.2639215032 0.291007248
+C      0.97627247     -0.01855911     -0.00954305
+N      2.42722773      0.02117257      0.00174513
+C      3.23724034      1.12090615      0.00787464
+C      4.55081956      0.66635900      0.01558922
+C      5.80911432      1.48097491      0.02590649
+C      4.41381685     -0.74344730      0.01311226
+N      3.12986581     -1.13452337      0.00444835
+H      0.59384313      1.00799968     -0.00223992
+H      0.60680911     -0.55102800      0.87686075
+H      0.61918601     -0.53373936     -0.91122504
+H      2.82882703      2.12751174      0.00638433
+H      5.58701082      2.55639229      0.01233916
+H      6.43945184      1.26202192     -0.84906858
+H      6.41413814      1.27924311      0.92273181
+H      5.19921684     -1.49627422      0.01720445 
+
+15
+-1540.7470643834793 11.493267 11.62017 -8.2731 -6.3049 -9.014 0.9977 -0.3181 0.744 8.48929 -0.09608 4.7118275594 6.5069960562 0.235839795
+C      0.88391042      0.05194636      0.37976069
+C      2.16107526     -0.00715588     -0.01453727
+C      2.98884848      1.21309924     -0.31909356
+N      4.23067786      1.15177108      0.47027806
+N      5.00475305      0.02004799      0.35787692
+C      4.41817504     -1.09025268      0.05746389
+C      2.94011952     -1.28795268     -0.18791982
+H      0.36867006      1.00804350      0.49053024
+H      0.31130491     -0.85079112      0.60136234
+H      2.45414808      2.13739456     -0.06104591
+H      3.22249206      1.23032173     -1.40546943
+H      4.82635857      1.96991570      0.35654539
+H      5.06926951     -1.96832967      0.02587689
+H      2.80108322     -1.68471523     -1.21176901
+H      2.55364397     -2.06855291      0.48818059 
+
+17
+-1685.5480858626968 11.46753 12.01922 -8.1747 -6.174 -8.93 0.904 -0.0708 0.85 8.39845 -0.23145 4.7536356386 5.4373316384 0.180899255
+C      0.95758094      0.01851686      0.45996402
+C      2.42464864      0.00896343      0.03519003
+C      2.77406120      1.20309526     -0.85844019
+N      4.19783301      1.15134222     -1.18898625
+N      4.68835051      0.00006600     -1.76455091
+C      4.05513864     -1.10493671     -1.54591170
+C      2.80607287     -1.27663120     -0.71793814
+H      0.71148505      0.92110209      1.03918016
+H      0.72195785     -0.85587521      1.08443292
+H      0.29372735     -0.01112857     -0.41894490
+H      3.06127072      0.08467717      0.93296148
+H      2.57530822      2.15510670     -0.34304134
+H      2.14374229      1.16766349     -1.77264917
+H      4.54181281      1.95457648     -1.71066226
+H      4.51164857     -1.99305050     -1.99361364
+H      1.97405935     -1.59748854     -1.37344350
+H      2.95330198     -2.10622898     -0.00490661 
+
+18
+-1792.1080842969313 11.733811 13.3541 -9.0488 -6.9737 -10.492 0.9334 0.0445 3.014 10.06054 -2.66711 8.407986604 10.7313726566 0.16630084
+C      1.17716008     -0.19663436      0.00982978
+C      2.65438071     -0.02559043     -0.24223437
+N      3.21404776     -0.21345689     -1.60243834
+C      3.18293355      1.14337186     -1.00023023
+C      4.50460869      1.78680738     -0.69985833
+C      5.76620179      0.96147702     -0.64499372
+C      5.54495237      1.92183814     -1.79025818
+H      0.88632209      0.25597987      0.97039129
+H      0.89994096     -1.26161406      0.04607373
+H      0.58128702      0.28354681     -0.78199839
+H      3.31033078     -0.43972788      0.53177320
+H      2.44143718     -0.30016066     -2.27152516
+H      2.42195815      1.83236435     -1.38822330
+H      4.43790633      2.61967107      0.00612638
+H      5.66350208     -0.09995656     -0.87342382
+H      6.51129474      1.21513640      0.10931327
+H      6.13777607      2.83612184     -1.83033112
+H      5.30287965      1.48129610     -2.75866268 
+
+17
+-1660.4420620822893 11.397336 12.93216 -9.0755 -6.9585 -10.572 1.0181 0.0996 2.915 10.15946 -2.58167 8.4046513806 11.547870061 0.187243984
+C      0.96928220      0.21544254     -0.30593159
+C      2.42652695      0.16651957      0.08013759
+N      3.29574064     -0.94268250     -0.37809888
+C      3.49455992      0.42383110     -0.92490948
+C      4.78520724      1.08842885     -0.56923178
+C      5.84202493      1.34301852     -1.58640258
+N      4.98072971      2.45112479     -1.11613565
+H      0.55217426      1.22000279     -0.13969706
+H      0.37697603     -0.49653967      0.28890246
+H      0.83331549     -0.03256586     -1.36970439
+H      2.63932071      0.45776172      1.11531129
+H      2.78429557     -1.51016873     -1.06335820
+H      3.15452493      0.62681242     -1.94668216
+H      5.13026118      0.88258984      0.44967670
+H      5.67116362      1.04788295     -2.62500022
+H      6.88476695      1.30344345     -1.26166293
+H      5.49256967      3.02453823     -0.43891313 
+
+18
+-1796.8248382546237 12.434753 13.59435 -8.7029 -6.6886 -9.008 0.8988 -0.0447 1.413 8.40714 -0.76371 6.2718442086 6.2718442086 0.414025118
+C      1.02414078     -0.10453506     -0.02014756
+C      2.53169201     -0.07204916     -0.01064496
+N      3.30904691     -0.58905812     -1.15594725
+C      3.29964441      0.86709175     -0.89364862
+C      4.56982103      1.52053426     -0.45678777
+C      4.43550096      2.97010044     -0.07124876
+C      5.72856829      0.84705736     -0.39894273
+H      0.60875767      0.56571907      0.74758921
+H      0.65046454     -1.11925136      0.18653608
+H      0.62611444      0.21249406     -0.99639900
+H      3.00192044     -0.31652021      0.94834380
+H      2.67012132     -0.79261294     -1.93262143
+H      2.67034126      1.48882395     -1.54446146
+H      4.05908890      3.57180106     -0.91517044
+H      5.39746185      3.39154709      0.24803017
+H      3.71221869      3.09604870      0.75139951
+H      5.77077330     -0.20225832     -0.69334794
+H      6.64441321      1.33058743     -0.05492085 
+
+18
+-1793.3176672970953 12.503492 13.82648 -9.2151 -7.1323 -9.593 1.0629 0.0412 1.277 9.05403 -0.70124 6.6738440164 6.6738440164 0.487767223
+C      0.84465320     -0.47053464     -0.15690549
+C      2.33065887     -0.47848820     -0.41909770
+N      2.86223026     -0.15108427     -1.76436538
+C      3.08509501      0.78666472     -0.63575735
+C      4.52262288      0.97078045     -0.18450122
+C      4.62016529      1.44584543      1.23757908
+C      5.19144703      2.59052098      1.62932869
+H      0.63334024     -0.45358463      0.92328803
+H      0.36300369     -1.36662660     -0.57734599
+H      0.36848476      0.41478440     -0.60586479
+H      2.87631029     -1.30642297      0.04915468
+H      2.09340149      0.19964723     -2.34708142
+H      2.48254579      1.70271639     -0.62033942
+H      5.03240308      1.68125331     -0.85609929
+H      5.03540918      0.00030739     -0.29904492
+H      4.17043634      0.79073469      1.99321656
+H      5.64859420      3.27372078      0.90826867
+H      5.22797840      2.88146555      2.68023726 
+
+16
+-1636.8150527862388 11.981151 13.60725 -9.2643 -7.1659 -9.741 0.8849 -0.0141 2.287 9.35221 -1.90909 4.3700601504 10.6943628356 0.417446786
+C      1.18654204     -0.19815314      0.24865934
+C      2.66874983     -0.06388216     -0.00106297
+N      3.26312106     -0.47967743     -1.29405645
+C      3.19861069      0.95570889     -0.94561803
+C      4.53240723      1.65208725     -0.71404502
+C      5.10929950      2.19661822     -1.93883823
+C      5.56148277      2.65614230     -2.96743024
+H      0.87440104      0.40779638      1.11281403
+H      0.91509306     -1.24369088      0.45917690
+H      0.60552046      0.13576201     -0.62444774
+H      3.30466237     -0.33205969      0.85088287
+H      2.51385243     -0.70658147     -1.95740057
+H      2.45398096      1.56882865     -1.46479502
+H      5.23180906      0.92777256     -0.26624781
+H      4.39745524      2.46746796      0.01745323
+H      5.96875228      3.05387054     -3.87418430 
+
+19
+-1810.3681757213456 12.015171 13.56257 -9.2514 -6.955 -10.693 0.9097 -0.0181 3.018 10.13343 -2.74026 8.5715365366 11.3691318434 0.142619484
+C      0.94950515     -0.21419837     -0.07821370
+C      2.45777183     -0.18324565     -0.07423761
+N      3.22306643     -0.55854586     -1.28717788
+C      3.21351774      0.85461286     -0.83026891
+C      4.53039479      1.42314114     -0.35610296
+C      4.35891943      2.61636150      0.58576436
+N      5.66802698      3.19849559      0.92095947
+H      0.53926192      0.34790491      0.77493418
+H      0.57211693     -1.24596480     -0.01013090
+H      0.54744933      0.23470359     -0.99947549
+H      2.92399647     -0.56464553      0.84200168
+H      2.56848225     -0.66505898     -2.07074990
+H      2.59226056      1.55204723     -1.40731728
+H      5.13694013      1.73786934     -1.22124135
+H      5.09499634      0.62074845      0.14826481
+H      3.76576392      2.29623810      1.46759659
+H      3.76914023      3.39863139      0.07812972
+H      6.22585320      2.51360987      1.43920729
+H      5.54503638      3.99616523      1.54876788 
+
+19
+-1812.718760142796 11.864043 13.13526 -8.9871 -6.8081 -10.411 0.9025 -0.0165 2.874 9.92088 -2.54705 8.2321372602 11.4774088172 0.20679989
+C      1.12704323     -0.10786984     -0.10980697
+C      2.61250571      0.15884545     -0.10425160
+N      3.50334656     -0.39762863     -1.15787105
+C      3.30022344      1.08003346     -1.05820421
+C      2.54422793      1.80916280     -2.14916545
+C      4.56308509      1.78810845     -0.58550254
+N      5.55184740      1.81561135     -1.67344350
+H      0.60353486      0.58640866      0.56573714
+H      0.91962519     -1.13023386      0.24128930
+H      0.68402978     -0.00130844     -1.10931414
+H      3.06373440      0.07868169      0.89245425
+H      2.91452111     -0.75505835     -1.92026123
+H      1.71796551      1.21387087     -2.55911807
+H      3.23493414      2.05699647     -2.96752847
+H      2.12383368      2.75319042     -1.76696352
+H      4.92042514      1.28205826      0.33270233
+H      4.31638176      2.82842908     -0.31333940
+H      5.84348012      0.85078872     -1.85729582
+H      6.38793495      2.32139344     -1.37511707 
+
+15
+-1548.2350759049198 10.81357 12.37022 -9.7642 -7.6809 -11.005 0.7259 -0.226 1.438 10.46698 -1.06176 5.3795913582 11.6182817104 0.310388342
+C      1.01458749     -0.05327232     -0.01953635
+C      2.52187438      0.00950363     -0.03759117
+N      3.29600211     -0.56834547     -1.16119891
+C      3.23866379      0.89651572     -0.99327720
+C      4.55141262      1.57091542     -0.62161532
+C      5.34816710      1.91954132     -1.79676919
+N      5.95942418      2.21001834     -2.74677269
+H      0.59798850      0.66201562      0.70531017
+H      0.66841126     -1.05768984      0.26607601
+H      0.59445370      0.18414052     -1.00847999
+H      3.00212223     -0.17155037      0.93105742
+H      2.65810628     -0.85659310     -1.91117175
+H      2.61640908      1.46831693     -1.68926223
+H      5.14049684      0.89409156      0.01538704
+H      4.36145046      2.49246203     -0.04805585 
+
+18
+-1803.407722155375 11.498279 12.55209 -8.5289 -6.4817 -10.086 0.9182 0.0225 3.036 9.35354 -2.76508 8.2257767784 10.6379492056 0.120741716
+C      0.97740378      0.01396424      0.00507074
+C      2.49953175      0.02858537      0.08297923
+N      3.04295845     -1.05808282      0.98476426
+C      3.91901226     -0.25412107      1.87796976
+C      4.60842587      0.78154289      0.93874976
+C      3.13299870      1.25736083      0.77212584
+C      2.96461779      0.89610243      2.28204345
+H      0.62419558     -0.94416190     -0.40179641
+H      0.61221023      0.81964505     -0.65043015
+H      0.52435695      0.13771766      0.99852424
+H      2.90915563     -0.07196407     -0.93854602
+H      3.62237819     -1.69689050      0.43278052
+H      4.46266097     -0.86182668      2.61245123
+H      5.13269358      0.39798984      0.04881552
+H      5.23103551      1.51248689      1.47289214
+H      2.87400843      2.24474383      0.36862514
+H      3.44377773      1.63287832      2.93863032
+H      1.97114861      0.61764968      2.65819044 
+
+15
+-1559.3521533322794 10.719104 11.61643 -8.359 -6.3776 -9.04 0.7932 -0.1286 1.068 8.45504 -0.39385 4.995085975 11.8751683038 0.15567084
+C      1.00416920     -0.00871382      0.29772215
+C      2.45693187     -0.00762681     -0.05195004
+N      3.12308330      1.04528874     -0.41680564
+C      4.48898298      0.64344101     -0.62692834
+C      5.26353887      0.10693066      0.56280359
+C      4.56038449     -0.87393910     -0.33449042
+N      3.20387804     -1.18701367      0.06049077
+H      0.46959346     -0.82026211     -0.21964079
+H      0.56437236      0.95152883      0.00892803
+H      0.86049665     -0.15628266      1.37792009
+H      5.03031982      1.14874271     -1.42883181
+H      6.35058910      0.14505857      0.48930432
+H      4.85086662      0.27859119      1.55885481
+H      5.10208232     -1.61599786     -0.92073592
+H      2.78861092     -2.06633569     -0.23932078 
+
+20
+-1930.7765396277093 12.400603 13.69658 -8.2482 -6.2673 -9.829 0.8554 -0.0539 2.969 9.17114 -2.62183 7.7149296612 11.3919948618 0.258327207
+C      1.03460433      0.03459265     -0.08069243
+C      2.54562133      0.08210450     -0.03598998
+N      3.41845990     -0.60286904     -1.01543105
+C      2.82163648     -1.33230760     -2.12924915
+C      3.39530053      0.87963989     -0.98912820
+C      2.76488365      1.68058582     -2.11347637
+C      4.68536562      1.48903779     -0.47001345
+H      0.62008815      0.81216152      0.57882520
+H      0.66580026     -0.93582338      0.28630556
+H      0.61402003      0.19449759     -1.08078146
+H      2.93692043     -0.01014966      0.98618871
+H      2.60804752     -2.35988145     -1.79805377
+H      3.55987616     -1.39446455     -2.94276851
+H      1.88920977     -0.91408254     -2.55066964
+H      1.82415864      1.26013032     -2.48669306
+H      3.45985956      1.75484684     -2.96515706
+H      2.55606911      2.70602042     -1.77195783
+H      5.11332716      0.86261805      0.32342503
+H      4.51193820      2.49985480     -0.06839507
+H      5.43018317      1.56891805     -1.27783747 
+
+20
+-1937.6720862565373 12.246719 13.40001 -8.4616 -6.3948 -10.052 0.86 -0.0516 2.83 9.42617 -2.48939 8.0736087606 10.579043457 0.125521169
+C      0.94323299      0.04969239      0.05373150
+C      2.45442709     -0.06785063      0.05428828
+N      3.21411321      1.00582108      0.78392425
+C      4.14483296     -0.04567838      1.31648517
+C      3.19559441     -1.19348305      0.86240603
+C      2.38890064     -1.75431041      2.03435578
+C      3.81278259     -2.31649486      0.03489233
+H      0.48216477     -0.76550238     -0.52360611
+H      0.64278650      0.99888080     -0.41501606
+H      0.52447865      0.02617760      1.07104993
+H      2.81027156     -0.07884663     -0.99298586
+H      2.62988066      1.35291633      1.55209006
+H      5.09972400     -0.02624395      0.76505982
+H      4.35999936      0.01678246      2.39464760
+H      1.96575076     -0.95428696      2.66118921
+H      3.03552229     -2.37083791      2.67816294
+H      1.55735376     -2.38826825      1.68927668
+H      4.40503474     -1.91495437     -0.80128753
+H      3.03504764     -2.97372626     -0.38611556
+H      4.47713142     -2.94534660      0.64874151 
+
+18
+-1792.6126688601416 12.504578 13.44204 -8.5855 -6.493 -9.421 1.3678 -0.0369 1.283 8.889 -0.6918 6.5608927704 6.5608927704 0.476806659
+C      0.97196541     -0.32731524      0.47126754
+C      2.37183725      0.05479127      0.03504976
+N      2.92974520      1.32886733      0.60436429
+C      4.18301177      0.60505304      0.99144758
+C      3.56794027     -0.77410913      0.61211778
+C      4.32354138     -1.66568963     -0.31135087
+C      4.56353452     -2.96794055     -0.11002800
+H      0.67692558     -1.29289761      0.03397911
+H      0.24141672      0.42840574      0.14388874
+H      0.90978723     -0.41521117      1.56756417
+H      2.41517004      0.10130656     -1.06805749
+H      2.40038864      1.58946749      1.44133203
+H      5.02681474      0.89886095      0.34567442
+H      4.49370917      0.71832410      2.04018046
+H      3.25205164     -1.33250198      1.50879797
+H      4.69842898     -1.19271319     -1.22823319
+H      4.20798927     -3.47809801      0.78883349
+H      5.11930218     -3.56686996     -0.83331780 
+
+16
+-1636.463447181703 11.984247 13.13241 -8.7918 -6.6907 -9.671 0.8788 -0.0721 2.25 9.30483 -1.82592 4.3410226292 10.408562707 0.459023577
+C      0.96608387      0.04241421      0.09359796
+C      2.47578771     -0.02452128      0.02619596
+N      3.24001966      1.04451509      0.75767748
+C      4.17292869     -0.00015131      1.29172342
+C      3.21250059     -1.14227711      0.84080699
+C      3.74207920     -2.29684592      0.14693168
+C      4.20065777     -3.24070533     -0.46646358
+H      0.51631021     -0.80878462     -0.43826121
+H      0.59806151      0.96673792     -0.37602656
+H      0.61218382      0.02027455      1.13669928
+H      2.81012781     -0.04126500     -1.02489987
+H      2.65543197      1.39294198      1.52484901
+H      5.11864588     -0.00339754      0.72942953
+H      4.39252404      0.05926145      2.36640794
+H      2.57820712     -1.46336144      1.68444298
+H      4.60225015     -4.07807565     -0.99939101 
+
+19
+-1809.9772365003914 11.846584 13.01928 -8.6176 -6.4798 -10.097 0.921 -0.0224 3.077 9.41152 -2.79622 8.2007935994 11.9387731218 0.119268897
+C      0.98753611      0.21200101      0.33638420
+C      2.40962969     -0.15943550     -0.06359762
+N      3.47842671      0.79162929      0.37323417
+C      3.88206647     -0.12558403      1.47352322
+C      3.07192167     -1.27055860      0.80377805
+C      3.89780439     -2.28298971      0.02155620
+N      4.57267769     -3.22058406      0.93508395
+H      0.28182679     -0.58586187      0.05641049
+H      0.66492532      1.13381004     -0.17235337
+H      0.90522457      0.37142952      1.42302803
+H      2.44821314     -0.34942200     -1.15232984
+H      3.12486881      1.69973857      0.68442152
+H      4.97435508     -0.26915862      1.54833145
+H      3.50000787      0.14464239      2.47307646
+H      2.38514950     -1.80466804      1.47654492
+H      4.58407539     -1.73436833     -0.65587321
+H      3.21859577     -2.87205384     -0.61782154
+H      5.28015960     -2.71816120      1.47895141
+H      5.08479542     -3.92198501      0.39481150 
+
+19
+-1812.8793438407674 12.098805 13.32355 -8.6539 -6.5291 -9.945 0.823 -0.1291 3.162 9.49672 -2.85635 7.9106911566 10.9781791882 0.205828904
+C      0.89384552      0.00411624     -0.14128674
+C      2.39934598      0.00148268      0.02820286
+N      2.77244228     -0.04737250      1.43562459
+C      3.23443262     -0.67212495     -1.05442872
+C      3.21220814      0.84933869     -0.91849533
+C      4.46007225      1.59886999     -0.50939418
+N      5.25870809      1.92149818     -1.70324808
+H      0.61397404      0.07484557     -1.20102826
+H      0.44961502      0.85208650      0.40007631
+H      0.45379999     -0.92410553      0.25912261
+H      3.78754720     -0.00686868      1.54421079
+H      2.47864673     -0.94692626      1.82926875
+H      2.73545437     -1.13406494     -1.90884742
+H      4.14576071     -1.18026467     -0.72816353
+H      2.63523080      1.38357060     -1.67907786
+H      5.02025153      1.01387498      0.25040125
+H      4.17708450      2.54959947     -0.02775630
+H      5.55320739      1.05274117     -2.15836448
+H      6.11397285      2.41202345     -1.43176625 
+
+19
+-1817.1349200067405 12.114219 13.01112 -8.248 -6.1666 -9.596 0.7524 -0.2154 2.991 9.22804 -2.63914 7.6000814294 12.7022045182 0.145741236
+C      1.01702011     -0.02413591     -0.18499886
+C      2.52532047      0.01499352     -0.02348326
+N      3.03314448     -0.12812074      1.33378202
+C      3.41059496     -0.63280073     -1.07852990
+C      3.42867655      0.87116310     -0.93987005
+C      2.83763569      1.72590517     -2.03938919
+N      4.64489358      1.45628195     -0.39775905
+H      0.69941024      0.07234214     -1.23198740
+H      0.53540431      0.78778172      0.38485517
+H      0.61542767     -0.97950204      0.19252095
+H      2.83902260     -1.07160255      1.68227747
+H      2.54464318      0.51926972      1.96032990
+H      2.92596002     -1.06675707     -1.95543634
+H      4.29058768     -1.17192081     -0.72191916
+H      1.97875705      1.24908473     -2.52650924
+H      3.60314449      1.91380126     -2.80697851
+H      2.50425450      2.70219918     -1.64908095
+H      4.85581175      0.96603007      0.47935501
+H      4.44982067      2.42787731     -0.13109861 
+
+19
+-1813.2660400270565 11.848614 12.77112 -8.4732 -6.3892 -9.96 0.8194 -0.1335 2.878 9.48401 -2.55658 7.9060416816 13.0147856228 0.071082996
+C      0.93257352      0.07365757      0.05068625
+C      2.44410449     -0.03687686      0.05165931
+N      3.20305630      1.01011347      0.81562544
+C      4.15583920     -0.04877357      1.28901255
+C      3.20320913     -1.18513512      0.82528356
+C      2.40941887     -1.78489332      1.98167981
+N      3.84920979     -2.26518358      0.08686357
+H      0.47677471     -0.75048263     -0.51895773
+H      0.61931254      1.01639448     -0.42268310
+H      0.51830273      0.05222581      1.07005362
+H      2.80689928     -0.02128506     -0.99464216
+H      2.62635817      1.31602621      1.60644490
+H      5.08855250     -0.01763471      0.70158002
+H      4.41351079     -0.01921371      2.35863773
+H      1.97226389     -1.00284415      2.61880508
+H      3.07329373     -2.40412353      2.60130271
+H      1.58520546     -2.41958941      1.61862160
+H      4.28296550     -1.90077420     -0.76595429
+H      3.16309938     -2.96652769     -0.20455889 
+
+15
+-1547.2510554988048 10.761738 11.91743 -9.2777 -7.1955 -10.548 0.6994 -0.3429 1.388 9.92916 -0.98031 5.3416640408 10.5202988902 0.204286936
+C      0.97028062      0.02842157      0.09535933
+C      2.47929903     -0.02773828      0.01682833
+N      3.24354217      1.03323012      0.75714412
+C      4.17739637     -0.00878688      1.28953567
+C      3.22329131     -1.14772048      0.82156374
+C      3.77432665     -2.27830025      0.09812962
+N      4.23215895     -3.16420384     -0.50976284
+H      0.52049451     -0.81664986     -0.44544632
+H      0.59863778      0.95700360     -0.36192619
+H      0.62218006     -0.00629592      1.13962359
+H      2.80742624     -0.03295437     -1.03593511
+H      2.65966450      1.38774243      1.52150056
+H      5.12959793     -0.00280093      0.73942608
+H      4.38237678      0.03539529      2.36694178
+H      2.59684709     -1.51347220      1.65024763 
+
+18
+-1812.3490176111554 11.471137 12.55895 -8.7175 -6.6475 -9.851 0.9532 0.0653 3.156 9.19589 -2.96563 7.9575950604 11.2253328806 0.180849259
+C      1.11523161      0.29248222      0.56772786
+C      2.35332523     -0.21125143     -0.16457382
+N      2.09519322     -1.50222662     -0.84477910
+C      3.04285321     -1.58256425     -1.97494302
+C      3.35857261     -0.14659248     -2.39160304
+C      2.17879384      0.78163175     -2.55725743
+C      2.91605395      0.72774799     -1.23869004
+H      1.33975246      1.21267451      1.12465991
+H      0.75193515     -0.45986952      1.28212034
+H      0.30426122      0.52064819     -0.14217112
+H      3.15827843     -0.37731190      0.57713786
+H      1.14098859     -1.48346505     -1.21374778
+H      3.97400429     -2.07400703     -1.64195283
+H      2.61385008     -2.19925758     -2.77982748
+H      4.27979661      0.05927919     -2.93917584
+H      2.32123980      1.66995013     -3.17268794
+H      1.17618990      0.34829402     -2.62127501
+H      3.50426979      1.59238786     -0.92581153 
+
+15
+-1550.8804286082961 10.551433 11.48266 -9.0243 -7.0221 -9.713 1.4903 -0.0042 1.036 9.09906 -0.36066 4.9246743256 11.7813728948 0.20380165
+C      1.21350240     -0.14452390      0.02353178
+C      2.65626661      0.23055768      0.04868150
+N      3.14911700      1.28538024     -0.49465527
+C      4.59728267      1.29107444     -0.22109101
+C      4.88271159     -0.02990507      0.48896923
+C      4.50046852     -1.28839058     -0.19959043
+N      3.55426086     -0.65067869      0.76796433
+H      1.08602835     -1.15210374     -0.40009624
+H      0.64307334      0.58014047     -0.56626241
+H      0.81969203     -0.18052605      1.04975004
+H      5.15626047      1.42459137     -1.16131293
+H      4.84148875      2.15034462      0.42456484
+H      5.60223498     -0.06499122      1.30908816
+H      4.91509520     -2.24101574      0.13583018
+H      4.23705722     -1.23133383     -1.25989177 
+
+17
+-1683.1248369357493 11.002927 11.93268 -8.7948 -6.722 -10.04 0.8716 -0.0464 3.054 9.36105 -2.71234 8.0716869776 12.5018307436 0.10924855
+C      1.09856612      0.27967408      0.54116761
+C      2.35256126     -0.22033398     -0.16420785
+N      2.12439437     -1.53983257     -0.80545591
+C      3.07422110     -1.63007919     -1.93531106
+C      3.31871593     -0.19717827     -2.39160772
+N      2.04762284      0.56583022     -2.51859577
+C      2.87148785      0.68361923     -1.28467422
+H      1.30095585      1.21170976      1.08725350
+H      0.73570629     -0.46619968      1.26196907
+H      0.30294300      0.47848919     -0.19271969
+H      3.17064065     -0.33008008      0.57353733
+H      1.18758191     -1.49425654     -1.21744451
+H      4.02928221     -2.06924368     -1.59661955
+H      2.66124593     -2.28043250     -2.72064152
+H      4.17005996      0.05764888     -3.02701158
+H      2.21586248      1.38912432     -3.10515211
+H      3.37306226      1.62700079     -1.05559602 
+
+20
+-1940.4675519183131 12.320659 13.66741 -8.475 -6.4446 -10.061 0.8921 -0.0256 3.062 9.33344 -2.78285 8.15703894 11.5674722476 0.109956776
+C      0.96095116      0.11518889      0.57989857
+C      2.26073799     -0.23145799     -0.13806551
+N      3.34946120      0.78682690     -0.04240227
+C      4.03035740      0.00095115      1.02747953
+C      5.54702142     -0.02819997      0.94480883
+C      3.18155132     -1.24487777      0.60579135
+C      3.85981613     -2.26839207     -0.29523612
+H      0.25549757     -0.72983393      0.54146806
+H      0.46878116      0.97896465      0.10619580
+H      1.13982562      0.36027554      1.63841992
+H      2.04128182     -0.50415154     -1.18682403
+H      3.03324051      1.71837009      0.24096667
+H      3.73343607      0.31812985      2.04634637
+H      5.88550106     -0.33334561     -0.05482138
+H      5.97024481     -0.71940624      1.69031299
+H      5.95868469      0.97240620      1.14682251
+H      2.69195045     -1.75099887      1.45205436
+H      4.31900450     -1.78991278     -1.17259582
+H      3.12533685     -3.00191131     -0.66125648
+H      4.64510828     -2.82435518      0.23914666 
+
+18
+-1816.5860343600052 12.129367 12.95832 -8.4618 -6.3193 -8.558 0.8803 -0.0566 1.519 8.05397 -0.83293 5.8388355022 5.8388355022 0.282388158
+C      0.93950168      0.10749324     -0.01598532
+C      2.46832510     -0.01952044      0.07898898
+N      2.86639022     -1.28014222      0.76647838
+C      3.51287867     -0.92031057      2.05393215
+C      3.66848380      0.57456343      2.00496003
+C      3.10175277      1.09099351      0.90469221
+C      3.02541288      2.52917387      0.50199907
+H      0.52621529     -0.74389157     -0.57351415
+H      0.64141584      1.03411083     -0.52957580
+H      0.49412611      0.10574467      0.98983845
+H      2.87399455     -0.01112819     -0.95141463
+H      3.54523616     -1.77020199      0.18567480
+H      4.47658720     -1.44489009      2.17457763
+H      2.88477975     -1.22816843      2.91309040
+H      4.14966809      1.15148016      2.79711767
+H      3.47593477      2.68648296     -0.49187499
+H      3.54757433      3.17658099      1.21905016
+H      1.98125280      2.87380985      0.43146498 
+
+18
+-1813.6135700756201 12.121856 12.98642 -8.8015 -6.7707 -9.177 1.2173 -0.1118 1.398 8.53878 -0.72933 6.3451199346 6.3451199346 0.391775397
+C      0.98698050      0.06124537      0.04595726
+C      2.50783048     -0.00703937      0.06701345
+N      3.10935871      1.12142925      0.81558626
+C      4.46268046      0.64953008      1.16158738
+C      4.33524160     -0.86018998      1.47133985
+C      3.11447291     -1.27887489      0.66940744
+C      2.64276504     -2.52339189      0.52972377
+H      0.56532907     -0.73179179     -0.58611045
+H      0.65419361      1.02857627     -0.35495073
+H      0.57552082     -0.06282737      1.05968594
+H      2.87781909      0.07636975     -0.97454968
+H      2.57675345      1.23065500      1.68665576
+H      5.11728554      0.80461592      0.28739165
+H      4.87498264      1.23699174      1.99253184
+H      5.23229088     -1.44108310      1.20937983
+H      4.14929948     -1.01443928      2.54729445
+H      1.74522957     -2.73571653     -0.05458477
+H      3.13697616     -3.37968920      0.99319075 
+
+19
+-1829.8192654539787 11.745194 12.73907 -8.3642 -6.2842 -9.876 0.9028 -0.0478 3.029 9.33264 -2.72938 7.94626274 11.3810716952 0.119491805
+C      1.06626394      0.05480065     -0.15174298
+C      2.57309593      0.03044674      0.04520449
+N      3.03842664      1.11821765      0.92100738
+C      4.39832580      0.71386991      1.35947520
+C      4.51056260     -0.82828772      1.20559212
+C      3.12991188     -1.27420407      0.68035688
+N      3.21490618     -2.48122490     -0.14396785
+H      0.74361310     -0.75181189     -0.82646598
+H      0.73802992      1.00956924     -0.58515920
+H      0.54537863     -0.08307928      0.81064665
+H      3.06895585      0.15902079     -0.93962031
+H      2.42357544      1.14266717      1.74111630
+H      5.14265285      1.21900465      0.72225593
+H      4.57328687      1.05593265      2.38883947
+H      5.28420706     -1.09667707      0.46822168
+H      4.77298904     -1.33765532      2.14256230
+H      2.47655369     -1.51874204      1.53945081
+H      3.76907880     -2.28837808     -0.98442374
+H      2.28415577     -2.76014907     -0.46475914 
+
+19
+-1819.1823217064937 11.916322 12.82083 -8.6358 -6.5578 -10.069 0.843 -0.1297 2.875 9.79696 -2.57671 8.067459055 10.6767816208 0.083561066
+C      0.94143389     -0.00986246      0.01323739
+C      2.46006608      0.03817096     -0.00673235
+N      2.92380557      0.03697669     -1.40603488
+C      3.18320256      1.07641041      0.91302548
+C      4.24561706     -0.00439631      1.25300683
+C      3.23166509     -1.08839906      0.80125069
+N      3.73391822     -2.27866433      0.14215385
+H      0.56605836     -0.06500307      1.04453628
+H      0.57689963     -0.89041367     -0.53781754
+H      0.50268202      0.88736924     -0.45440857
+H      3.88526596      0.38497461     -1.46295808
+H      2.35870675      0.69200960     -1.95266334
+H      2.57217022      1.34039695      1.78970457
+H      3.52773869      2.00307041      0.43100729
+H      5.10931737      0.03236494      0.57104740
+H      4.62457716     -0.05883496      2.28256850
+H      2.61519388     -1.38802070      1.66395837
+H      3.88078339     -2.05441182     -0.84955567
+H      3.02372810     -3.01432743      0.15423376 
+
+19
+-1813.8339633282505 11.919193 12.99928 -8.4464 -6.3732 -9.94 0.8493 -0.0884 3.025 9.42812 -2.74247 7.9787346734 12.1941098902 0.105922762
+C      0.92604905      0.04707985      0.12075443
+C      2.43454018     -0.02435217     -0.00933932
+N      3.22926690      1.03087827      0.71241843
+C      4.19997342     -0.02131891      1.19442672
+C      5.52772478      0.05318753      0.45307424
+C      3.21579439     -1.14336467      0.74451120
+N      3.76018807     -2.32865984      0.10347723
+H      0.44576118     -0.77846853     -0.42652566
+H      0.53592194      0.98994982     -0.29156796
+H      0.61630110     -0.01959069      1.17647451
+H      2.71307032     -0.00520918     -1.08050194
+H      2.67802119      1.37449658      1.50548833
+H      4.38449938      0.01104270      2.28064214
+H      5.37817642      0.09939159     -0.63625658
+H      6.15543584     -0.81948450      0.68473317
+H      6.06845837      0.96426575      0.74528350
+H      2.62232934     -1.47634179      1.61284098
+H      4.17562535     -2.09519660     -0.80169472
+H      3.02653277     -3.01741520     -0.07284869 
+
+20
+-1960.4779630627602 12.114481 13.18756 -8.9705 -6.8708 -10.421 0.8605 -0.1202 2.987 9.74917 -2.65921 8.3283379976 10.5997243218 0.074851573
+C      0.95597059      0.02255948     -0.04368642
+C      2.48374278      0.00986180      0.01567552
+N      2.98162768      0.05454114     -1.38083027
+C      3.05984441      1.13553750      0.91450960
+C      4.49982548      0.69048048      1.20395785
+C      4.40555293     -0.85275009      1.34721219
+C      3.05530461     -1.26154642      0.69425300
+H      0.52128847     -0.02913130      0.96495776
+H      0.58816249     -0.82885811     -0.63326292
+H      0.58858839      0.94512775     -0.52109560
+H      4.00498892      0.02333969     -1.39003602
+H      2.72553315      0.95334067     -1.80208957
+H      2.48518724      1.17973403      1.85625652
+H      2.99009060      2.12623878      0.43876932
+H      5.15623404      0.96105954      0.36089181
+H      4.92391234      1.17278824      2.09583773
+H      5.26303775     -1.35396186      0.87560585
+H      4.42170380     -1.14325579      2.40784569
+H      3.15664856     -2.06999100     -0.04349094
+H      2.34944577     -1.60876453      1.46339890 
+
+16
+-1677.6262094603512 11.850409 12.12455 -8.2428 -6.2425 -8.238 0.5733 -0.9894 0.616 7.80347 -0.06578 4.5368089218 7.3195631044 0.577371528
+C      0.95003157     -0.01024473      0.05874975
+C      2.49126590     -0.01479944      0.10982333
+N      2.90623018      0.04338377      1.53378562
+C      3.06013457      1.16967885     -0.65397315
+C      3.77948796      0.73364267     -1.70963368
+C      3.77905917     -0.74174519     -1.72554037
+C      3.04776806     -1.19174130     -0.68322644
+H      0.59319914     -0.00662760     -0.97979694
+H      0.56497956      0.87669746      0.57995365
+H      0.54917722     -0.90566000      0.55846157
+H      3.93021230      0.04014936      1.57603030
+H      2.60235818     -0.81729535      2.00046775
+H      2.87397876      2.19979387     -0.35409649
+H      4.28686309      1.35699319     -2.44623722
+H      4.29780947     -1.34950860     -2.46736946
+H      2.84996486     -2.23030697     -0.41687822 
+
+18
+-1819.7066278248087 11.957015 12.61652 -9.0419 -6.8782 -8.988 0.8774 -0.0581 1.385 8.4944 -0.74545 6.0897707676 6.0897707676 0.295126161
+C      0.98953926     -0.01060917     -0.01286726
+C      2.52325813     -0.01553920      0.01283848
+N      2.94881314      0.05908826      1.41974547
+C      3.05101449     -1.24253141     -0.81215273
+C      3.34326146     -0.67046870     -2.17399341
+C      3.35115783      0.67118454     -2.15446241
+C      3.06648278      1.21318837     -0.77992456
+H      0.62088027     -0.01671215     -1.04851463
+H      0.60337465      0.88179518      0.49919750
+H      0.58784070     -0.90218222      0.49479009
+H      3.96751995     -0.02954197      1.47849029
+H      2.56137316     -0.73321795      1.94040429
+H      2.32195838     -2.07034853     -0.83215548
+H      3.97214399     -1.64990811     -0.35469775
+H      3.55488692     -1.28498666     -3.05130473
+H      3.56869112      1.30809711     -3.01379648
+H      3.99042237      1.59886516     -0.31030306
+H      2.34949140      2.04988745     -0.77276362 
+
+18
+-1820.2709663057308 12.117557 12.69436 -8.819 -6.7127 -8.959 0.8884 -0.0304 1.392 8.46663 -0.73951 6.096453613 6.096453613 0.319747806
+C      0.95561624      0.03723955     -0.06683710
+C      2.49082821      0.00947510     -0.01956024
+N      2.98310412      0.08859187     -1.41364538
+C      3.03875647     -1.28640329      0.65424125
+C      3.43008314     -0.90349172      2.09987939
+C      3.54245098      0.60053096      2.04071526
+C      3.02238916      1.09325984      0.90852626
+H      0.53035928     -0.12332607      0.93342928
+H      0.58739585     -0.74734352     -0.74376416
+H      0.58901550      1.00926431     -0.43376408
+H      3.99726528      0.23430192     -1.40121199
+H      2.58367266      0.91302155     -1.87324824
+H      3.93272377     -1.60910387      0.09957888
+H      2.31403291     -2.11058212      0.60257808
+H      4.36113557     -1.38979847      2.43226051
+H      2.65374746     -1.19948965      2.82835860
+H      3.96561863      1.19482911      2.85316688
+H      2.94300475      2.15312450      0.65378679 
+
+18
+-1815.0828525975676 12.202045 12.99314 -8.539 -6.4748 -8.857 0.9915 -0.0805 1.432 8.4127 -0.78368 6.0013191552 6.0013191552 0.255563308
+C      0.98233214      0.04268057     -0.14416437
+C      2.50166492     -0.03393831      0.07486654
+N      2.89108859     -1.26186408      0.82638312
+C      3.37084175     -0.85907309      2.17652130
+C      4.67263059     -1.56505110      2.55962797
+C      3.47107699      0.64760255      2.10414812
+C      3.01316545      1.10230047      0.93315559
+H      0.64007291     -0.81593152     -0.73796294
+H      0.70538386      0.96716017     -0.67372784
+H      0.45688918      0.02576649      0.82155628
+H      2.98889457     -0.03605732     -0.91757701
+H      3.66932419     -1.70778424      0.33781052
+H      2.60760255     -1.13359095      2.93377666
+H      5.48709339     -1.27994255      1.87540697
+H      4.54432320     -2.65696134      2.52086847
+H      4.97692521     -1.30008906      3.58252327
+H      3.83413146      1.25636660      2.93382867
+H      2.94295905      2.14953673      0.63540867 
+
+18
+-1817.5911267632448 12.408032 13.28754 -8.2511 -6.1175 -8.457 0.8994 0.0021 1.546 7.99638 -0.8564 5.7630056646 5.7630056646 0.27221499
+C      0.97350089      0.05735047     -0.32541755
+C      2.43581192     -0.02863977      0.12552072
+N      2.67125129     -1.21323770      0.98696689
+C      3.60394633     -0.84502926      2.06652207
+C      3.53320144      0.66345188      2.09843660
+C      4.14777616      1.45910148      3.20344633
+C      2.88534723      1.10444482      1.01059771
+H      0.70035743     -0.82457760     -0.92288869
+H      0.80419431      0.95155910     -0.94513888
+H      0.31169656      0.09688037      0.55130353
+H      3.07224366     -0.04597171     -0.78971891
+H      3.00545720     -2.01022596      0.44738676
+H      4.65308578     -1.16983747      1.88701391
+H      3.29650518     -1.29337997      3.03041474
+H      3.99388417      2.53646351      3.05993701
+H      5.23249239      1.27393687      3.26981583
+H      3.72129425      1.17681384      4.17963700
+H      2.70341380      2.15119710      0.76161493 
+
+18
+-1816.0826974764748 12.090473 12.75587 -8.4729 -6.3983 -8.915 0.8971 -0.0457 1.489 8.40567 -0.83963 6.2091072926 6.2091072926 0.354046168
+C      0.96401040      0.12621931     -0.05162748
+C      2.48930034     -0.02939806      0.12844195
+N      3.27284201      1.14566380     -0.29525122
+C      3.49753332      1.20587599     -1.74404968
+C      4.39122196      0.03624178     -2.15906877
+C      3.87380454     -1.24850505     -1.57427483
+C      2.99852987     -1.26977451     -0.55933064
+H      0.59072035      0.97680901      0.53929442
+H      0.42981063     -0.77498963      0.28565608
+H      0.70708979      0.29154448     -1.10801927
+H      2.68006528     -0.16055537      1.21108854
+H      2.80004757      1.99504361      0.01955176
+H      3.98433192      2.16509239     -1.97494967
+H      2.56022576      1.16201615     -2.34080002
+H      5.42757761      0.21278127     -1.82044629
+H      4.42867529     -0.03550943     -3.25893653
+H      4.22696140     -2.18933085     -2.00607435
+H      2.61932194     -2.22150490     -0.17698400 
+
+13
+-1453.767334212481 10.750395 10.95676 -9.2894 -7.3048 -9.454 0.2517 -1.2949 -0.03 9.48095 0.68731 4.1466249798 6.751409658 0.527353709
+C      1.00773178     -0.00171799     -0.07211523
+C      2.50262407     -0.02616380      0.07169864
+N      3.14761743      1.15841700      0.06530454
+C      4.48385738      1.10968155      0.18528017
+C      5.18454438     -0.08817759      0.31087952
+C      4.41715444     -1.25394980      0.30661471
+N      3.08275358     -1.24032100      0.18897824
+H      0.63807187      1.02844265     -0.05393287
+H      0.53983354     -0.58558643      0.73201675
+H      0.71566596     -0.47577906     -1.02070650
+H      5.00571600      2.07214775      0.18038277
+H      6.26995488     -0.11366374      0.40836948
+H      4.88624468     -2.23879956      0.40181979 
+
+17
+-1707.3469376370306 11.444118 12.27768 -8.2058 -6.2484 -9.092 0.779 -0.1475 1.187 8.36241 -0.50943 4.8301597978 11.338891658 0.166032171
+C      1.02647732     -0.05735584      0.12897015
+C      2.52724596      0.02345801      0.00932428
+N      3.08714516      1.17085389     -0.18275004
+C      4.54664542      1.20357670     -0.29752187
+C      5.27098886      0.01304188      0.34199149
+C      4.61480689     -1.28943166     -0.11310690
+N      3.18520582     -1.19031208      0.15888319
+H      0.59879166     -0.68231556     -0.67094853
+H      0.61124833      0.95212241      0.04906078
+H      0.72933684     -0.49705232      1.09292416
+H      4.80910764      1.27261368     -1.36971438
+H      4.89910524      2.14393699      0.15688637
+H      6.33866427      0.01398187      0.07613104
+H      5.20004840      0.08338116      1.43922665
+H      5.02352949     -2.15182496      0.43527119
+H      4.81150268     -1.45472223     -1.19005260
+H      2.62588002     -2.03236194      0.07187500 
+
+15
+-1567.711916272108 11.410814 11.71632 -7.6656 -5.6862 -7.867 1.1408 -0.4298 0.541 7.3794 0.13523 4.0421047818 6.8457506054 0.236436183
+C      1.00659699      0.02005797      0.02606348
+C      2.51253916      0.05393221      0.02946002
+N      3.12174608      1.19998472      0.16439390
+C      4.51521386      1.15490242      0.00993733
+C      5.25058497      0.02858882     -0.06634336
+C      4.58867191     -1.31673480      0.07105921
+N      3.15220009     -1.14025423     -0.18428533
+H      0.60319936     -1.00118880      0.04607542
+H      0.62572240      0.53322397     -0.86779937
+H      0.63307864      0.56773919      0.90053108
+H      4.99459458      2.13476434     -0.06448871
+H      6.33256942      0.06734562     -0.19356654
+H      4.99418326     -2.03900995     -0.65787478
+H      4.76076549     -1.75498073      1.07928759
+H      2.57848378     -1.97633076     -0.23108996 
+
+15
+-1570.0177353839142 12.148534 12.24737 -7.7559 -5.8249 -8.057 1.0702 -0.4284 0.486 7.46744 0.20817 4.5754429594 4.5754429594 0.3228589
+C      1.07311325      0.03785978      0.06993497
+C      2.56179381     -0.00120448     -0.02485327
+N      3.27811992     -1.07865888      0.14097884
+C      4.62793911     -0.69858908     -0.01100884
+C      5.66472213     -1.55528464     -0.00076608
+C      4.69803887      0.82010953     -0.20337958
+N      3.27342922      1.14179338     -0.36681866
+H      0.70153867     -0.95720656      0.33392824
+H      0.63117445      0.34868569     -0.88833128
+H      0.74326146      0.75751895      0.83535167
+H      6.68883404     -1.20734993     -0.13007129
+H      5.49023136     -2.62090891      0.13845583
+H      5.28296971      1.11082710     -1.08791263
+H      5.12627137      1.32360911      0.68033559
+H      2.92418264      2.05213894     -0.07860351 
+
+15
+-1580.4264227600952 11.189892 11.77112 -8.1451 -6.22 -8.078 0.7184 -0.1828 0.958 7.64 -0.23197 4.6582036144 6.5305657948 0.320032503
+C      0.96764296      0.03167572     -0.00966914
+N      2.42406396      0.01578036     -0.00246293
+C      3.24489959      1.13362470      0.00725051
+C      4.53224098      0.64682176      0.01147778
+N      4.53036562     -0.73040791      0.00458347
+C      3.25160402     -1.08916984     -0.00375952
+C      2.75641817     -2.49898758     -0.01484429
+H      0.62576988      1.07242756     -0.00435638
+H      0.56314003     -0.47018433      0.88043466
+H      0.57192216     -0.45836365     -0.91024187
+H      2.83797318      2.13929739      0.01056891
+H      5.45873013      1.21482124      0.01918727
+H      1.66118637     -2.55547864     -0.00619390
+H      3.13439953     -3.04442585      0.86150655
+H      3.11904341     -3.02668094     -0.90861113 
+
+19
+-1828.3818502252207 11.67447 12.55073 -8.4434 -6.2882 -9.883 0.8345 -0.1499 2.98 9.16667 -2.65117 7.9661128986 11.1686092856 0.113134681
+C      0.96704713      0.00759238      0.00208019
+C      2.49550097      0.02039264     -0.00331049
+N      2.94041824      0.08803659     -1.41556029
+C      3.09398746      1.14192263      0.88739740
+C      4.50835114      0.63981597      1.16941673
+N      4.29489478     -0.79599131      1.42056757
+C      3.11365689     -1.24665769      0.64463272
+H      0.57867923     -0.06454165      1.02766034
+H      0.58788051     -0.84216513     -0.58277555
+H      0.56621632      0.92993129     -0.44729726
+H      3.96358519      0.09640413     -1.45896366
+H      2.63674304      0.97939098     -1.82146552
+H      2.53306304      1.21216632      1.83369925
+H      3.06731463      2.12418651      0.39389474
+H      5.16547913      0.85001637      0.29751478
+H      4.96666555      1.12605547      2.04482907
+H      5.12356350     -1.35005706      1.21091916
+H      3.36405187     -1.97564370     -0.14371670
+H      2.38317138     -1.72484475      1.31958748 
+
+19
+-1819.6448636695031 11.993304 12.98546 -8.8532 -6.7173 -10.283 0.8398 -0.1142 2.917 9.70661 -2.64499 8.180224322 8.3829662292 0.107714329
+C      1.06872543     -0.00716858      0.49755834
+C      2.40513144      0.01704485     -0.24314863
+N      2.13817776     -0.00516694     -1.68139191
+C      3.39825662      1.07193993      0.36480888
+C      4.03649333     -0.05468547      1.21189098
+N      5.47517264      0.02689771      1.42573462
+C      3.38140992     -1.09267975      0.24477335
+H      1.21144941     -0.04029452      1.58655668
+H      0.48240430     -0.88605981      0.19316088
+H      0.48150000      0.89690821      0.26757438
+H      3.01089769      0.11689953     -2.20190593
+H      1.53492926      0.78199799     -1.93908784
+H      2.98405174      1.94678211      0.88758037
+H      4.10910496      1.42068333     -0.40249026
+H      3.55982110     -0.10471597      2.20347398
+H      5.96457418     -0.01947641      0.52696790
+H      5.80142808     -0.77336332      1.97390151
+H      4.08486610     -1.36638887     -0.55869207
+H      2.94345607     -2.01176403      0.66160475 
+
+15
+-1545.432621750324 10.432845 11.18146 -9.204 -7.1792 -9.95 1.2978 -0.3219 0.857 9.46315 -0.23529 4.8704552478 6.3527698708 0.172094825
+C      0.94529905     -0.09978770      0.10936266
+C      2.43461123      0.20066960     -0.05340588
+N      2.84563880      1.38524095      0.74225345
+C      3.89282805      1.05322332      1.39905668
+N      4.44319056     -0.26382744      1.23752426
+C      3.49476938     -1.26872412      1.81707415
+C      3.40457429     -0.90668950      0.37844670
+H      0.65136138     -0.95104947     -0.52065645
+H      0.34907843      0.77358482     -0.18565343
+H      0.70296973     -0.34197983      1.15371562
+H      2.62619517      0.44252328     -1.11419672
+H      4.41426318      1.73831598      2.07335628
+H      3.96136976     -2.21164729      2.10762626
+H      2.73261487     -0.88696811      2.50104934
+H      3.78323612     -1.60846448     -0.36681293 
+
+15
+-1565.8996102625338 11.551349 11.70559 -7.8539 -5.9804 -8.366 1.1852 -0.2944 0.725 7.7347 -0.09489 4.933712905 5.6495336774 0.229914811
+C      0.98492050     -0.10769355     -0.12180970
+C      2.50283099      0.01886299      0.02408921
+N      3.18600938     -1.22397322     -0.41681539
+C      4.02769599     -0.85830740     -1.31803147
+N      4.07694427      0.50271565     -1.58987434
+C      3.11475384      1.15520034     -0.80725550
+C      2.82303122      2.46740831     -0.81315306
+H      0.48469876      0.80449065      0.23194595
+H      0.62420931     -0.96203970      0.46602280
+H      0.71295171     -0.26730554     -1.17427608
+H      2.74677254      0.16970611      1.09058901
+H      4.69268754     -1.53896259     -1.85383824
+H      4.61444077      0.93588798     -2.33303720
+H      3.34030306      3.17418694     -1.46178077
+H      2.05227013      2.86039303     -0.15325523 
+
+17
+-1703.7973159403123 11.303311 12.02913 -8.4417 -6.4645 -9.246 0.7929 -0.1139 0.945 8.61252 -0.33415 5.1834951006 8.5959369814 0.1220354
+C      1.02608936     -0.05332690      0.04731387
+C      2.55294629     -0.04162171     -0.02077321
+N      3.09084167     -1.15972586     -0.82518814
+C      3.41093513     -0.62351262     -2.06718905
+N      3.46445323      0.65884194     -2.16604892
+C      3.13088185      1.17779911     -0.81595262
+C      4.37891589      1.78284261     -0.16978361
+H      0.66389161      0.80123613      0.63837440
+H      0.64913632     -0.97061311      0.52490514
+H      0.59307038      0.01903244     -0.96161849
+H      2.97522053     -0.08049832      0.99678766
+H      2.60583047     -2.05495780     -0.79342363
+H      3.64935690     -1.29933383     -2.89339138
+H      2.36221672      1.96303133     -0.91871470
+H      5.15210353      1.01320150     -0.02849045
+H      4.13977198      2.22262114      0.81015833
+H      4.79431814      2.56916395     -0.81404520 
+
+13
+-1436.9529027552883 12.823233 11.54535 -8.0868 -6.3321 -8.438 -0.2113 -1.79 -0.712 7.72028 1.14386 4.2949742288 4.2949742288 0.64310242
+C      1.03308846     -0.04786991     -0.18037117
+C      2.35994573      0.00754762      0.07735671
+N      3.21587138     -1.06731276      0.33185553
+C      4.53357073     -0.64136989      0.55896036
+N      5.59697636     -1.32302472      0.82365233
+C      4.47723768      0.82506605      0.43130566
+C      3.20823851      1.19899290      0.15038645
+H      0.48538784     -0.98883292     -0.21385485
+H      0.48137287      0.87163417     -0.36244595
+H      2.92139187     -2.03689274      0.35130842
+H      5.39739636     -2.33196762      0.86423005
+H      5.35707683      1.44977208      0.55573452
+H      2.82833538      2.20597776     -0.00482805 
+
+13
+-1431.375442987267 11.316446 11.38473 -9.6906 -7.7354 -9.821 -0.9442 -2.6571 -1.222 9.06735 1.60638 3.8631309908 5.3644650662 0.481853165
+C      1.03435727     -0.01770040      0.00399317
+C      2.52246603     -0.02680218      0.00178921
+N      3.23251698     -1.12171502     -0.00032718
+C      4.59643508     -0.68497270     -0.00075027
+N      5.62818535     -1.44670387     -0.00205446
+C      4.64399015      0.79970765      0.00078258
+C      3.36030765      1.21067961      0.00249536
+H      0.64157092     -1.04006789     -0.00474560
+H      0.65266729      0.52939202     -0.87238442
+H      0.65602245      0.51203792      0.89254549
+H      5.30330388     -2.42795760     -0.00270207
+H      5.56097305      1.38251883      0.00051237
+H      2.97724390      2.23016364      0.00393584 
+
+15
+-1571.0547165025705 11.725696 11.8489 -8.4861 -6.6156 -9.024 0.7157 -0.8454 0.131 8.39149 0.34943 4.8512870122 5.304493038 0.402583769
+C      0.92092936      0.10140454     -0.22633421
+C      2.40187428     -0.06085860      0.13696649
+N      2.65936277     -1.22975044      0.98458804
+C      3.45142716     -0.90592668      2.09444212
+N      4.00828638     -1.66389601      2.97811194
+C      3.53563182      0.56808976      2.09363839
+C      2.95196799      1.05673223      0.98788264
+H      0.56622448     -0.75941514     -0.81034726
+H      0.77135677      1.00605860     -0.83349523
+H      0.31226951      0.17961745      0.68468084
+H      2.99039138     -0.12522228     -0.80181447
+H      2.75408254     -2.14674864      0.55837977
+H      3.82212205     -2.65806586      2.78582357
+H      4.02214039      1.11617276      2.89691924
+H      2.85196313      2.10374831      0.70465814 
+
+15
+-1587.4580737562212 11.235143 11.9226 -8.0784 -6.076 -7.857 0.6796 -0.2091 0.858 7.357 -0.1389 4.4266225636 12.1030421732 0.305402283
+C      0.89546489     -0.14346611     -0.00655185
+C      2.37968617      0.00119653     -0.00346194
+C      3.20930807      1.11140423     -0.00714223
+C      2.82674884      2.56038896     -0.01524620
+N      4.53920854      0.72148333     -0.00299257
+C      4.52567061     -0.59947560      0.00300614
+N      3.24370941     -1.08551973      0.00292205
+H      0.42641525      0.84845837      0.00146381
+H      0.52706952     -0.68832530      0.87770229
+H      0.52898208     -0.67296371     -0.90096600
+H      3.73994096      3.16809110     -0.00361929
+H      2.22455920      2.83627630      0.86392530
+H      2.24985110      2.83304964     -0.91229137
+H      5.39546285     -1.25074952      0.00801901
+H      2.96938250     -2.06329847      0.00739284 
+
+15
+-1579.4208010884026 11.737805 11.98352 -7.085 -5.1683 -7.464 0.8175 -0.0965 1.125 6.931 -0.52626 4.4562056232 5.8777671062 0.349800179
+C      0.91559846     -0.06928142     -0.02463364
+C      2.40283249      0.04578968     -0.01645437
+C      3.23970454      1.15666669     -0.07697260
+N      2.84165981      2.50895039     -0.22283040
+C      4.58972152      0.68944211     -0.06275183
+C      4.55108299     -0.69237093      0.00980062
+N      3.23086233     -1.07100001      0.03660916
+H      0.45392064      0.92737271     -0.02158745
+H      0.52789265     -0.60640818      0.85735672
+H      0.53718035     -0.58666055     -0.92285742
+H      3.51668667      3.14249386      0.20461450
+H      1.92959918      2.69064221      0.19580773
+H      5.48710529      1.30074714     -0.10558392
+H      5.35068000     -1.42409779      0.04608592
+H      2.89973309     -2.02709592      0.07934699 
+
+15
+-1534.6609845687894 10.722799 11.43838 -8.8104 -6.7898 -9.626 1.3074 -0.2373 0.88 9.11225 -0.19231 5.0298764466 11.3712272068 0.20199002
+C      1.04867843      0.13913263      0.17242163
+C      2.47723784     -0.11140078     -0.18317949
+N      3.22042159      0.80478350     -0.70224486
+N      4.53626086      0.28354579     -0.99262468
+C      5.26743558      0.05874905      0.28193143
+C      4.58690712     -1.09331363     -0.37070240
+C      3.17595341     -1.44129660      0.04620000
+H      0.38512380     -0.55489796     -0.36678371
+H      0.76991655      1.16859922     -0.08019179
+H      0.87915757     -0.02671865      1.24787090
+H      6.35252205      0.15190566      0.20629914
+H      4.81549942      0.49150785      1.17793637
+H      5.18484326     -1.82394338     -0.91661340
+H      3.07018787     -1.77741755      1.09078748
+H      2.74559467     -2.23327516     -0.59011662 
+
+15
+-1541.7053381701887 10.79686 11.54403 -8.0673 -6.0842 -8.753 0.9531 -0.0423 0.922 8.28175 -0.26515 5.077288693 11.0069067444 0.188640424
+C      1.09473385     -0.02849370     -0.12866031
+C      2.57580419      0.14944107     -0.08626692
+N      3.15741683      1.18541429     -0.61927282
+N      4.54446735      1.06613206     -0.46266274
+C      4.86482542     -0.11675848      0.31730879
+C      4.56544768     -1.41968414     -0.36122644
+C      3.51334694     -0.80724947      0.55796102
+H      0.81362554     -0.90979261     -0.72771756
+H      0.61707908      0.85845062     -0.56238085
+H      0.69444099     -0.19224067      0.88469049
+H      4.93483366      1.94494376     -0.12330312
+H      5.66172464     -0.03780949      1.05776346
+H      5.08389679     -2.30102473      0.01560598
+H      4.37943251     -1.40484870     -1.43642278
+H      3.22624452     -1.33216982      1.47194379 
+
+13
+-1408.2381721059833 11.113522 11.08367 -9.6512 -7.6658 -9.544 -1.151 -2.8249 -1.194 9.02894 1.73115 4.0044254364 5.3241696162 0.465741405
+C      0.96190540      0.11260085     -0.00648339
+C      2.44954755      0.01362228     -0.00078252
+N      3.22459806      1.05962862      0.00600009
+N      4.61325841      0.61230949      0.00930908
+C      4.61848488     -0.68426149      0.00461076
+C      3.25645644     -1.22477702     -0.00238090
+C      2.85019759     -2.50756076     -0.00795561
+H      0.66678434      1.16807767      0.00302612
+H      0.52608375     -0.38420832      0.87340162
+H      0.53460111     -0.36538966     -0.90092029
+H      5.54889196     -1.25329225      0.00597755
+H      1.79064081     -2.77093737     -0.01244806
+H      3.56606970     -3.33142204     -0.00801445 
+
+15
+-1548.725007508816 12.046024 11.85299 -7.7298 -5.8788 -8.357 0.4937 -1.0915 -0.106 7.86782 0.57549 4.3987505108 4.3987505108 0.314469816
+C      1.05855016     -0.03254640      0.09875362
+C      2.54652093      0.02394598      0.01529753
+N      3.27417981     -1.05690224     -0.09529012
+N      4.61295348     -0.71790643     -0.00628912
+C      4.77524071      0.74710214     -0.14426487
+C      3.36081074      1.23991932      0.07836830
+C      2.93967847      2.50063489      0.30116484
+H      0.71640143     -1.06810912     -0.01168351
+H      0.59363936      0.58399284     -0.68572515
+H      0.70246253      0.35173349      1.06804281
+H      5.17478344     -1.30482217     -0.62130278
+H      5.13171701      1.01410252     -1.15509805
+H      5.49255696      1.13675727      0.59175551
+H      3.62923430      3.34443954      0.33485430
+H      1.88243067      2.71660837      0.45695669 
+
+17
+-1684.8434354433086 11.343935 11.97032 -8.2095 -6.2255 -8.979 1.0761 -0.089 0.773 8.49993 -0.15429 5.1261763728 5.2485505548 0.138346575
+C      1.03063703     -0.06864661      0.00962832
+C      2.55932244     -0.00858348     -0.00260540
+N      3.16458916     -1.12473770     -0.77853986
+N      3.38758139     -0.71010591     -2.09014190
+C      3.37521461      0.58177366     -2.11621182
+C      3.11620966      1.22120350     -0.76875982
+C      4.40411117      1.79870768     -0.15661809
+H      0.61293060      0.78142113      0.57028592
+H      0.67435169     -0.99156085      0.49116115
+H      0.63180521     -0.03508186     -1.01519241
+H      2.94689400     -0.03543426      1.02844534
+H      2.63992712     -2.00044222     -0.77228714
+H      3.61324675      1.11117178     -3.03878908
+H      2.35594881      2.01777852     -0.83152677
+H      5.17424716      1.01907437     -0.06908212
+H      4.21128268      2.21028228      0.84533221
+H      4.80876051      2.60772997     -0.78151854 
+
+15
+-1545.590693836848 11.968928 11.65314 -7.8896 -5.9789 -8.394 0.3777 -1.1807 -0.226 7.93926 0.69155 4.3236149948 4.3236149948 0.336063914
+C      1.01695257      0.06942049      0.23577989
+C      2.48702603     -0.06523413     -0.15266254
+N      2.70769657     -1.12820016     -1.16858977
+N      3.60341036     -0.71791356     -2.12899006
+C      3.78347549      0.56942168     -2.00480871
+C      3.09412628      1.14176707     -0.85902219
+C      2.99763521      2.44004676     -0.50983215
+H      0.88393990      0.88936297      0.95563367
+H      0.64666679     -0.85386147      0.70319514
+H      0.40825902      0.28059609     -0.65314984
+H      3.08989038     -0.29393417      0.74754304
+H      2.91553072     -2.06860778     -0.83715828
+H      4.38444839      1.10906208     -2.73487214
+H      2.45619533      2.76350205      0.37971106
+H      3.46669695      3.21610207     -1.11532712 
+
+17
+-1688.7348363693038 11.655903 12.22644 -7.9664 -5.9955 -8.741 0.8959 -0.0955 0.992 8.2017 -0.31059 4.7697042242 5.418560158 0.179810387
+C      1.03310224      0.07799254      0.01555544
+C      2.52995195      0.01104961     -0.08989492
+N      3.15351680      1.09782088     -0.41480887
+N      4.52953918      1.05718440     -0.57046901
+C      5.26706490      0.03869611      0.17701306
+C      4.68338935     -1.32547205     -0.18010666
+C      3.18704007     -1.33140859      0.16020493
+H      0.55176798     -0.58355537     -0.72436163
+H      0.68810950      1.10511685     -0.15174403
+H      0.68974063     -0.25668141      1.00837332
+H      4.88861625      2.00140835     -0.44371231
+H      6.32823242      0.10979357     -0.10273177
+H      5.18593138      0.20133797      1.27229782
+H      5.21331386     -2.12719410      0.35411117
+H      4.82608820     -1.49448142     -1.25837471
+H      3.02388425     -1.61156386      1.21661239
+H      2.65945105     -2.10086350     -0.42944420 
+
+15
+-1546.5525652582412 11.083542 11.42577 -8.8972 -6.9727 -9.273 0.5173 -1.1561 0.353 8.85632 0.29858 4.3497884394 8.6734778258 0.244091611
+C      1.01142956      0.05595706      0.25279119
+C      2.48489499      0.04044044     -0.01160675
+N      3.16267405      1.11972662      0.21640161
+N      4.53000046      1.14027973     -0.14486958
+C      5.18660867      0.03379968     -0.05616475
+C      4.52779268     -1.29309617      0.20225693
+C      3.15483271     -1.23382464     -0.47535559
+H      0.73898939     -0.70563998      0.99997623
+H      0.45456511     -0.18945494     -0.66638270
+H      0.70022441      1.04509643      0.60747641
+H      6.26111384      0.09464732     -0.26169250
+H      5.14797855     -2.11023552     -0.18969017
+H      4.41404953     -1.46224210      1.28888943
+H      2.53375127     -2.10521146     -0.22737642
+H      3.27076479     -1.21905248     -1.57460336 
+
+15
+-1556.1553673259732 11.106582 11.9577 -9.3172 -7.3106 -9.258 0.5317 -1.1241 0.377 8.87318 0.26444 4.8713355484 9.5399539868 0.223774584
+C      0.94998096      0.13648398     -0.00690855
+C      2.43269036     -0.02278758     -0.00064362
+N      3.24486878      0.98930508     -0.00501471
+N      4.60212270      0.50224573      0.00171643
+C      4.58540125     -0.79530949      0.01043863
+C      5.83104737     -1.61513425      0.01981158
+C      3.18002500     -1.32584768      0.01029692
+H      0.69268380      1.20207920     -0.00458306
+H      0.49497619     -0.34299080      0.87352131
+H      0.50401673     -0.33599449     -0.89584225
+H      6.70717940     -0.95633709      0.01368198
+H      5.87661666     -2.27832354     -0.85783428
+H      5.87529250     -2.25952238      0.91147078
+H      2.95957772     -1.95296084     -0.86938429
+H      2.95475059     -1.94024584      0.89772313 
+
+15
+-1547.1615770146848 11.565607 11.77728 -7.7296 -5.8223 -8.276 0.5998 -1.0285 0.076 7.81913 0.45126 3.9597904764 6.2284863044 0.36234424
+C      1.00800850      0.03993268     -0.14104343
+C      2.49512026     -0.00512291      0.05900265
+N      3.10555286      1.10622062      0.38125968
+N      4.45555096      1.01536247      0.61094272
+C      5.24022212      0.06919369     -0.18625687
+C      4.56514916     -1.26976717     -0.02955400
+C      3.21889204     -1.27370591      0.02696447
+H      0.49194908     -0.62448101      0.57076814
+H      0.72970850     -0.29256112     -1.15340995
+H      0.64249841      1.06333342      0.00606075
+H      4.85395513      1.94903503      0.67758612
+H      6.26697019      0.06132552      0.20622074
+H      5.29057267      0.36294240     -1.26166670
+H      5.15587728     -2.18625885     -0.00278879
+H      2.65403285     -2.20515888      0.11027446 
+
+15
+-1545.3628666993332 11.518229 11.57733 -7.8685 -5.9536 -8.314 0.4593 -1.1741 -0.054 7.90114 0.56946 3.8634161586 6.2420379742 0.446564517
+C      0.93642099      0.04405838      0.32903392
+C      2.40599592     -0.00389297     -0.07629801
+N      2.70404925      1.08821950     -1.01585579
+N      3.93071610      1.18532101     -1.59337808
+C      4.54400989      0.05206976     -1.82154246
+C      3.90267815     -1.22731821     -1.58361582
+C      2.80186279     -1.27073743     -0.80489814
+H      0.69201419      0.99207477      0.83100406
+H      0.71534286     -0.76894231      1.03448174
+H      0.28526951     -0.06603183     -0.54954785
+H      3.02856068      0.10274560      0.84504504
+H      2.35579185      2.00529239     -0.74475441
+H      5.50465402      0.12704746     -2.33286479
+H      4.27413997     -2.11375489     -2.10201842
+H      2.22485382     -2.18435123     -0.64962100 
+
+20
+-1940.10583619512 12.563935 14.30766 -9.2037 -6.9027 -10.559 0.9419 0.021 3.134 9.94789 -2.84972 8.6706137492 11.09302742 0.225133689
+C      2.14469636     -0.89126285     -0.63864167
+C      1.90912567      0.42090363      0.11611362
+C      3.14871973      1.28772120      0.20196149
+C      3.51764018      2.21383735     -0.93736780
+C      3.04063831      2.78066606      0.38657460
+C      4.00708151      3.52304820      1.27878755
+N      4.07031723      4.94391640      0.89928002
+H      1.22840182     -1.49743001     -0.68500972
+H      2.92138201     -1.49749413     -0.14800425
+H      2.47694578     -0.69905287     -1.66976779
+H      1.54565942      0.20201750      1.13513532
+H      1.10549332      0.99332800     -0.37813520
+H      3.99784656      0.81378901      0.70733894
+H      2.84010179      2.26415489     -1.79208165
+H      4.57498504      2.32328203     -1.18907313
+H      2.02733462      3.19352727      0.38788082
+H      4.98683125      2.99958199      1.24833828
+H      3.65558666      3.47390448      2.32349432
+H      4.43492079      5.02400996     -0.05399671
+H      4.72790197      5.44102189      1.50430297 
+
+14
+-1533.1371007227697 11.521791 12.51904 -9.8104 -7.7313 -9.718 1.0498 -0.6506 0.842 9.22937 -0.28162 5.2685494966 11.0012281856 0.494323079
+C      1.64308709     -0.33841772     -1.20168173
+C      2.20418527      0.15888365     -0.09281575
+C      3.32076952      1.13662527     -0.05003337
+C      3.69183640      2.00735238     -1.21106523
+C      2.98706387      2.64047990     -0.01912264
+C      3.70777130      3.50609165      0.86819849
+N      4.30091082      4.20304973      1.59529671
+H      0.81520451     -1.04550049     -1.14417818
+H      1.99344869     -0.06794885     -2.20015136
+H      1.83111747     -0.16192146      0.88576499
+H      4.14092612      0.87004194      0.62192118
+H      3.10385819      1.94156425     -2.12599956
+H      4.74412178      2.25053400     -1.35161060
+H      1.93523897      2.89818575     -0.15546295 
+
+12
+-1376.0049757586041 11.195234 12.34756 -10.0278 -7.8588 -9.846 1.448 -0.3277 1.178 9.47746 -0.81553 4.3275825468 11.1881494792 0.392343794
+C      1.00146186      0.03539828     -0.08816346
+C      2.21444865      0.00628432     -0.03867893
+C      3.64593980     -0.02873582      0.01397149
+C      4.44264142     -0.74677277     -1.05263087
+C      4.44468215      0.76770104     -1.03844850
+C      5.61705537      1.47850681     -0.61610003
+N      6.57599604      2.04738307     -0.26685713
+H     -0.06841174      0.06016829     -0.12825816
+H      4.08389701     -0.02533963      1.01439271
+H      3.88702186     -1.22295286     -1.85888626
+H      5.35422899     -1.25175639     -0.73671692
+H      3.84862858      1.27270566     -1.79951395 
+
+20
+-1940.5045514602684 12.552302 13.97993 -8.5026 -6.4257 -9.813 0.8733 -0.052 3.052 9.38568 -2.73354 7.84273443 11.1596326992 0.186781647
+C      2.83257287     -1.05037681     -0.42763958
+C      2.33469468      0.22064848      0.27057937
+C      3.36971852      1.32843858      0.26311566
+C      3.51497391      2.26451100     -0.93061056
+C      3.06604176      2.81860979      0.39684297
+C      1.64190705      3.30784672      0.55909534
+N      4.00497278      3.69761720      1.08580738
+H      2.06774636     -1.84059516     -0.41836206
+H      3.73101105     -1.44880241      0.06821177
+H      3.09640404     -0.84545268     -1.47610475
+H      2.05531075     -0.01761343      1.31204456
+H      1.41144211      0.56621111     -0.22151484
+H      4.32045407      1.03835825      0.72663327
+H      2.76701579      2.18654530     -1.72343495
+H      4.51627911      2.51788869     -1.28598440
+H      0.92577284      2.68946740      0.00349799
+H      1.56394948      4.34319030      0.19722021
+H      1.34056881      3.29749563      1.61956914
+H      4.96670547      3.41660468      0.87971934
+H      3.88795856      3.59504738      2.09945411 
+
+16
+-1678.8417133972425 11.47258 13.05057 -10.3426 -8.2414 -10.934 0.8031 -0.1865 1.426 10.51526 -1.0348 5.2766457824 10.6863657386 0.453304561
+C      3.07177942     -1.19833670     -0.48964529
+C      2.46515931      0.04836456      0.16140366
+C      3.41618516      1.22595775      0.15547674
+C      3.51571085      2.13405606     -1.03569268
+C      2.85689120      2.64352219      0.24304744
+C      3.52888021      3.62588887      1.04382669
+N      4.08603055      4.41957941      1.69649462
+H      2.36248802     -2.03735510     -0.47120408
+H      3.98233814     -1.51899697      0.03782091
+H      3.34329354     -1.00720922     -1.53822547
+H      2.17441287     -0.17617919      1.20087598
+H      1.53793766      0.33031544     -0.36590668
+H      4.34721621      1.07610655      0.70872238
+H      2.84477151      1.95564871     -1.87736606
+H      4.48510059      2.55779098     -1.29511811
+H      1.76917476      2.74083667      0.23116995 
+
+20
+-1934.5793000991664 12.584363 14.18425 -8.6252 -6.4932 -9.859 0.9778 0.1006 3.23 9.18089 -2.89644 8.0179514452 11.418552663 0.174588853
+C      2.76775578     -1.18011171     -0.71224138
+C      2.37175941      0.03371186      0.13438616
+C      3.42264320      1.12424968      0.13169710
+C      3.49437014      2.12179482     -1.00692894
+C      3.05393373      2.57114173      0.36557158
+N      3.96478838      3.38705635      1.12939380
+C      3.68482589      3.36581999      2.56562428
+H      1.98610425     -1.95342164     -0.69671191
+H      3.69733749     -1.63626271     -0.33877544
+H      2.93900487     -0.89120728     -1.76006907
+H      2.18013538     -0.28650573      1.17336872
+H      1.41966456      0.44888541     -0.23805762
+H      4.39412141      0.84315090      0.54939378
+H      2.73603963      2.06188690     -1.78994839
+H      4.48174326      2.44697509     -1.33556200
+H      1.97508651      2.76633611      0.48874504
+H      3.92921884      4.34964819      0.78486201
+H      3.85891134      2.35069814      2.95307520
+H      2.64566337      3.65267178      2.83106047
+H      4.37456256      4.04583210      3.08489662 
+
+20
+-1934.228215722196 12.313835 13.6428 -8.5365 -6.4582 -9.776 0.914 0.003 3.084 9.03366 -2.70977 7.7233483106 10.9978433678 0.337554119
+C      3.25536694     -0.51302316      0.93176712
+C      2.37977373      0.70743356      0.63377948
+C      3.10659016      1.80598503     -0.14100917
+C      3.16569895      1.68377115     -1.64725231
+C      2.27827383      2.73069269     -1.00508710
+N      4.27550006      2.42727170      0.45643793
+C      4.03085340      3.09570659      1.73550179
+H      2.68895090     -1.28642827      1.46980355
+H      4.12000667     -0.24743664      1.55963949
+H      3.64131075     -0.96146026      0.00355393
+H      1.98767706      1.12316685      1.57804992
+H      1.49625196      0.39537253      0.05366350
+H      2.68948446      0.81768870     -2.10968949
+H      4.07490114      2.03586049     -2.13439526
+H      2.60754787      3.76766543     -1.07189818
+H      1.19823886      2.57890434     -1.03194856
+H      5.01874858      1.73226093      0.56095793
+H      3.29365702      3.89909036      1.58569166
+H      4.96493714      3.56098597      2.08126977
+H      3.65439052      2.44122199      2.54753400 
+
+20
+-1943.9162257581236 12.450835 13.84525 -8.7866 -6.6824 -10.161 0.9233 0.0152 2.929 9.59128 -2.64142 8.269494242 9.9797447274 0.102827051
+C      2.31936781     -0.52343152     -1.55323276
+C      2.48125827     -0.00212307     -0.12205915
+C      3.23456677      1.31760359     -0.03565645
+C      2.58033339      2.62899766     -0.55784175
+C      3.25015780      3.38581992      0.62051861
+C      3.39829951      2.02936912      1.35024825
+N      4.55397554      1.85445624      2.21519546
+H      1.75986389     -1.46986107     -1.57703959
+H      3.29895237     -0.70187612     -2.02305909
+H      1.77790395      0.20019959     -2.18109954
+H      3.00766694     -0.75895951      0.48676241
+H      1.48593124      0.12633216      0.33950027
+H      4.23791746      1.21054043     -0.48974727
+H      1.48497519      2.59661629     -0.44617044
+H      2.82145760      2.95601410     -1.57780855
+H      4.23850641      3.77658429      0.33114716
+H      2.69025104      4.18443932      1.12542949
+H      2.49414682      1.83836626      1.95495168
+H      5.41652998      1.90553600      1.66600291
+H      4.54125803      0.93334631      2.65976835 
+
+20
+-1939.7035886541937 12.423402 13.73503 -8.5126 -6.3976 -9.759 0.8498 -0.0821 2.899 9.33178 -2.53866 7.856062925 11.3220171634 0.221161584
+C      1.97992074     -1.09475171     -0.62117537
+C      1.73642239      0.33731165     -0.13057665
+C      2.99189816      1.06777473      0.32819730
+C      3.64464749      0.51629554      1.57927549
+C      3.88885161      1.64761252     -0.75699221
+C      3.04046223      2.57779363      0.06861073
+N      3.66776532      3.56849029      0.91523486
+H      1.04730018     -1.55208954     -0.98220285
+H      2.37406650     -1.73865005      0.17846295
+H      2.70457837     -1.10981497     -1.44943527
+H      1.00751538      0.32339182      0.69999504
+H      1.26467901      0.91909643     -0.94083488
+H      4.47774146      1.14833084      1.91845683
+H      4.04791183     -0.49470690      1.41547058
+H      2.91772787      0.45614644      2.40644141
+H      3.62784815      1.48622987     -1.80469089
+H      4.96473140      1.65818674     -0.56371904
+H      2.15260949      2.97465046     -0.43568782
+H      4.62910405      3.30935345      1.14071470
+H      3.16552836      3.66519877      1.80147507 
+
+20
+-1939.247516092955 12.484933 14.02755 -8.5282 -6.3954 -9.864 0.9151 0.0177 3.118 9.41619 -2.7666 8.0454143442 11.1321821988 0.147937025
+C      2.93708810     -1.09978479     -0.68176372
+C      2.38480853      0.11521662      0.07259738
+C      3.35151112      1.28162130      0.12214790
+C      3.47666841      2.31147819     -1.00293151
+C      2.65545604      2.26981052     -2.27388366
+C      2.87707414      2.71411243      0.31625516
+N      3.53360803      3.70258601      1.15103995
+H      2.22011222     -1.93398476     -0.67998826
+H      3.86945620     -1.46027859     -0.22086541
+H      3.16185800     -0.84857318     -1.72873424
+H      2.13075302     -0.17993070      1.10585794
+H      1.43517397      0.43417166     -0.38692465
+H      4.30319664      1.04920652      0.61419863
+H      4.50052265      2.67081876     -1.15607825
+H      1.63649664      1.90040668     -2.09348462
+H      3.11681131      1.61736389     -3.03138928
+H      2.56550527      3.27655180     -2.70950424
+H      1.78850947      2.84164588      0.30546315
+H      4.54177260      3.69329346      0.97869814
+H      3.40793763      3.46867831      2.14013960 
+
+20
+-1955.6171017451327 12.283616 13.5882 -8.5563 -6.4888 -10.053 0.9335 0.0024 3.159 9.29377 -2.86 8.182766035 11.9947651994 0.131299997
+C      2.31532461     -0.38665302     -1.55385706
+C      2.36703174      0.13556782     -0.11647131
+C      3.14111742      1.44559209      0.02968617
+C      2.49714541      2.67204737     -0.65710030
+C      2.87460478      3.88113438      0.24321206
+C      3.71727782      3.26323347      1.37605010
+N      3.21748057      1.88465712      1.43358094
+H      1.77306728     -1.34114817     -1.60953860
+H      3.32717071     -0.55508280     -1.95434006
+H      1.80670960      0.32243442     -2.22397696
+H      2.83398743     -0.62663438      0.53114403
+H      1.34835032      0.29383138      0.27524624
+H      4.15967972      1.30184845     -0.40421576
+H      1.40432241      2.54431088     -0.69469250
+H      2.85228729      2.78965880     -1.69002670
+H      3.43368899      4.65557898     -0.29965437
+H      1.97037189      4.35209325      0.65313334
+H      4.79636807      3.31913409      1.11240307
+H      3.57896610      3.77114706      2.34212240
+H      3.83381785      1.27880879      1.98046528 
+
+18
+-1808.623646605379 12.190203 13.14901 -8.6796 -6.596 -9.529 1.0202 -0.0614 1.378 9.0035 -0.77989 6.682101484 6.682101484 0.420239694
+C      0.85705036      0.03580431     -0.04554694
+C      2.11897345      0.12227357      0.38816939
+C      3.02238017      1.31808471      0.26362991
+C      2.35199044      2.68550005      0.01711841
+C      3.30953734      3.71531267      0.67783423
+C      4.43907072      2.85770107      1.28372089
+N      3.78283476      1.56363094      1.50629084
+H      0.28533689     -0.88670366      0.06426466
+H      0.35026626      0.87460557     -0.52710443
+H      2.57742289     -0.75723354      0.85542283
+H      3.71696737      1.12087521     -0.59000114
+H      1.36846408      2.70499843      0.50755417
+H      2.19958634      2.87378673     -1.05414537
+H      3.70297461      4.44757055     -0.04024829
+H      2.78559911      4.27298698      1.46599397
+H      5.28296797      2.79071057      0.56235293
+H      4.83077623      3.26422243      2.22777009
+H      4.46284101      0.81970342      1.68087387 
+
+16
+-1652.5473450886805 11.85509 12.99612 -8.904 -6.8238 -9.689 0.8871 -0.0951 2.374 9.30181 -1.93739 4.3853972186 10.7867696014 0.600688095
+C      0.94176608      0.00471798     -0.04266809
+C      2.15263062     -0.03420260      0.03338174
+C      3.60938507     -0.07202815      0.09049970
+C      4.26927294      1.19908306      0.69193814
+C      5.58768874      0.67792768      1.32390908
+C      5.56014347     -0.84512979      1.08015996
+N      4.12438568     -1.13278491      0.97850203
+H     -0.12710700      0.03927078     -0.09662779
+H      3.98513454     -0.19155661     -0.95224725
+H      3.60510622      1.62462460      1.45479283
+H      4.42922264      1.96026702     -0.08261402
+H      6.47862838      1.13924709      0.87712314
+H      5.60449023      0.89401988      2.40033215
+H      6.11518105     -1.08495004      0.14715809
+H      6.01116638     -1.42137874      1.90070201
+H      3.93590496     -2.06144725      0.59483827 
+
+20
+-1938.6487265398525 12.214649 13.4412 -8.5798 -6.506 -10.092 0.8995 -0.017 2.955 9.36783 -2.60625 8.1149828888 9.985584468 0.135555915
+C      1.76262682     -0.59749048     -1.21680266
+C      2.36894172     -0.01689791      0.06335712
+C      3.20113206      1.25436628     -0.13652565
+C      4.44851297      1.01056209     -0.99066284
+C      2.42242075      2.53872717     -0.56454242
+C      3.15827312      3.26107212      0.58670042
+N      3.50962219      1.93674751      1.16976848
+H      1.11575541     -1.45625831     -0.98754861
+H      2.53226630     -0.94681011     -1.92056213
+H      1.14484748      0.14847949     -1.74102761
+H      3.00265901     -0.77419194      0.55822656
+H      1.57056880      0.22968270      0.78097082
+H      5.03086357      1.93632726     -1.11208675
+H      4.19075461      0.64661128     -1.99664314
+H      5.09689170      0.25566432     -0.51714057
+H      1.34172609      2.44962919     -0.38792781
+H      2.59768724      2.90823382     -1.58285024
+H      4.02068858      3.85175958      0.22836151
+H      2.55305769      3.89622190      1.25206122
+H      4.48726388      1.84863403      1.46149430 
+
+20
+-1936.9531325848159 12.200025 13.5999 -9.1273 -7.0436 -10.7 0.891 -0.0162 2.826 10.07567 -2.47413 8.4660616464 11.3733473674 0.153875187
+C      0.57936620      0.22306710      0.43813740
+C      1.78242817      0.11369942     -0.50343148
+C      2.93195080      1.04417101     -0.13883920
+C      3.58782336      0.84642374      1.22135765
+C      4.23253804     -0.53067283      1.41517724
+C      3.77745640      1.59941310     -1.23334596
+N      2.72419753      2.43861997     -0.60906235
+H     -0.24884186     -0.41075315      0.09043008
+H      0.21723917      1.26089630      0.47920737
+H      0.82545016     -0.09289320      1.46312204
+H      1.46545876      0.36460012     -1.52723064
+H      2.14952383     -0.92614677     -0.53438595
+H      2.84046104      1.01910022      2.01483525
+H      4.35592878      1.62866824      1.34965609
+H      3.48584275     -1.33733462      1.38300213
+H      4.74082000     -0.59151547      2.38814039
+H      4.97782661     -0.73374162      0.63148056
+H      3.57934570      1.31945171     -2.27170765
+H      4.82557592      1.81907034     -1.00942703
+H      3.16660865      3.08634637      0.05318408 
+
+20
+-1939.9085217109625 12.376041 13.83739 -8.5494 -6.4879 -10.077 0.9081 0.0075 3.138 9.34898 -2.86323 8.2292111906 10.1602931406 0.132419747
+C      2.06260973     -0.55558451     -1.34142853
+C      2.38165120      0.04176589      0.03060044
+C      3.26690639      1.27807403     -0.05367939
+C      2.66260264      2.59716724     -0.60776485
+C      3.33220792      3.30869701      0.59884353
+C      4.61988277      4.05541011      0.26835632
+N      3.50930831      1.97195762      1.24660618
+H      1.42295312     -1.44478810     -1.25114891
+H      2.97981776     -0.85793318     -1.87049673
+H      1.53486753      0.16863362     -1.98092064
+H      2.88691397     -0.71040335      0.66056254
+H      1.45473384      0.31674702      0.56059955
+H      4.20145782      1.01859245     -0.59080359
+H      1.56473663      2.60597093     -0.55465352
+H      2.98391077      2.92042733     -1.60627305
+H      2.66662348      3.96711433      1.18327930
+H      5.29269399      3.44289957     -0.35215485
+H      5.15803647      4.33259971      1.18816436
+H      4.40351471      4.98489070     -0.28142778
+H      4.44052095      1.82167159      1.64495960 
+
+14
+-1563.6826493166898 13.073715 12.33021 -7.5759 -5.8045 -7.549 0.7426 -0.754 0.173 6.97977 0.39203 4.029235035 4.029235035 0.432353146
+C      2.97109378     -1.19936947      0.37865031
+C      2.39891975      0.00442076      0.17226633
+C      3.04959262      1.29093337      0.08849707
+C      2.48896073      2.55364360     -0.12072755
+C      3.53666999      3.50876824     -0.12436706
+C      4.72186444      2.81878079      0.08214244
+N      4.41591081      1.48504641      0.20883669
+H      2.36715434     -2.10449720      0.42043995
+H      4.04752286     -1.33073872      0.51296555
+H      1.31311461      0.05158700      0.04781575
+H      1.42824215      2.74665676     -0.25499371
+H      3.44496251      4.58176185     -0.26188882
+H      5.74726668      3.16763266      0.14748987
+H      5.09164474      0.74660395      0.36753316 
+
+12
+-1405.8937827282327 12.439723 12.12121 -7.9015 -6.0626 -7.679 1.0717 -0.4563 0.39 7.19927 0.15188 4.0286523008 6.089634383 0.425208443
+C      0.93449733     -0.05237972     -0.00468776
+C      2.15156027      0.00851777     -0.00131336
+C      3.55777719      0.07415498      0.00241659
+C      4.42758427      1.16780696      0.00462932
+C      5.75200474      0.66595389      0.00842239
+C      5.67587948     -0.71987924      0.00840683
+N      4.34960756     -1.06759201      0.00478135
+H     -0.13482293     -0.09926579     -0.00755024
+H      4.11530875      2.20713230      0.00359660
+H      6.66805997      1.24862326      0.01088109
+H      6.45395509     -1.47582949      0.01069447
+H      3.97999827     -2.01190291      0.00392272 
+
+16
+-1703.9062824422745 12.079112 12.64689 -7.706 -5.833 -7.725 0.8002 -0.1363 1.144 7.22292 -0.52638 4.6736894658 6.3084200786 0.435250435
+C      2.50357764     -0.60431437     -1.40929824
+C      2.42681789      0.05345831     -0.02027960
+C      2.90916215      1.47032327      0.01696284
+C      2.21805723      2.66747134      0.13782500
+C      3.16278768      3.73378840      0.08355468
+C      4.41493356      3.16784075     -0.06961968
+N      4.24715643      1.79816199     -0.10985478
+H      2.12477744     -1.63634760     -1.37680515
+H      3.53766012     -0.64000578     -1.78342852
+H      1.90737315     -0.03959912     -2.13985967
+H      2.99151448     -0.55794702      0.70605652
+H      1.38388824      0.04826811      0.32973303
+H      1.14144966      2.75779826      0.25531997
+H      2.95261918      4.79700130      0.15270673
+H      5.39971421      3.61623528     -0.14748654
+H      4.99878094      1.12490689     -0.20813659 
+
+20
+-1934.6111947136906 12.565459 13.86476 -8.2759 -6.2802 -9.747 0.9529 0.083 3.158 8.95832 -2.84927 7.8903326554 10.2673302544 0.114742244
+C      2.27291966     -0.56297093     -1.42504616
+C      2.44869379      0.02822660     -0.02431145
+C      3.22870159      1.33455886     -0.02937663
+C      2.57914669      2.62628940     -0.59200075
+C      3.23528338      3.33955637      0.61197264
+N      3.36629252      2.02466015      1.28212568
+C      4.56552495      1.77960229      2.05975637
+H      1.70158081     -1.50129504     -1.39273805
+H      3.24518268     -0.78057221     -1.89345351
+H      1.73333820      0.13103427     -2.08749880
+H      2.97141553     -0.69645970      0.62342791
+H      1.46805534      0.21433092      0.44358792
+H      4.22496323      1.17756959     -0.50465384
+H      1.48301543      2.59888750     -0.51720245
+H      2.87778387      2.95126081     -1.59507317
+H      4.21790396      3.77817485      0.33724390
+H      2.64981993      4.08890463      1.16733465
+H      4.58353341      0.73430235      2.40229355
+H      4.56795229      2.42190881      2.95321764
+H      5.50067275      1.97625048      1.48734454 
+
+20
+-1930.2683005998595 12.40502 13.74673 -8.5221 -6.5101 -10.069 0.8989 -0.0001 2.938 9.39215 -2.5727 7.9672039754 11.2671285612 0.121186877
+C      2.33238216     -1.36935252     -0.47228959
+C      1.95284975      0.03018033      0.02142098
+C      3.14435059      0.91353089      0.37384468
+C      3.93931924      0.46640966      1.58609692
+C      3.84729639      1.63460519     -0.73740839
+N      2.89211175      2.35147278      0.11770384
+C      3.44242174      3.36337892      1.01382933
+H      1.43722990     -1.93473124     -0.76779063
+H      2.84908240     -1.95704556      0.30074698
+H      2.99666868     -1.31309694     -1.34848600
+H      1.29734991     -0.04870079      0.90689437
+H      1.36907798      0.55711830     -0.74841896
+H      4.81114973      1.10290481      1.78078389
+H      4.31294230     -0.55767060      1.44181619
+H      3.30618936      0.46330926      2.48818727
+H      3.54135820      1.48787422     -1.77811879
+H      4.91386369      1.84892427     -0.59668172
+H      2.78557601      3.47412049      1.88914988
+H      3.45500819      4.32441268      0.47895310
+H      4.47125204      3.16559583      1.37128665 
+
+20
+-1933.1287166437864 12.591367 14.09788 -8.685 -6.7131 -10.278 0.9452 0.06 3.127 9.5951 -2.79522 8.2891708202 11.1843059132 0.140235418
+C      2.98000268     -1.13885898     -0.60244817
+C      2.37483972      0.12443172      0.01760358
+C      3.35086122      1.28069183      0.04433518
+C      3.52170368      2.28373581     -1.06233483
+C      2.73216148      2.28882343     -2.34898621
+N      2.82667770      2.64473819      0.18113140
+C      3.54926231      3.52567600      1.09300446
+H      2.26615896     -1.97428967     -0.57911816
+H      3.88309521     -1.45808631     -0.05982843
+H      3.26699180     -0.96937619     -1.65097962
+H      2.05229141     -0.08431862      1.05208271
+H      1.46766621      0.42415215     -0.52741573
+H      4.27542625      1.07032019      0.60406280
+H      4.54526448      2.67440596     -1.15762731
+H      1.72469550      1.87911051     -2.20412305
+H      3.24206433      1.69652924     -3.12396082
+H      2.62214068      3.31573264     -2.72892763
+H      3.17179358      3.38030502      2.11620131
+H      3.36897012      4.57302910      0.80815450
+H      4.64506266      3.34932799      1.09758403 
+
+20
+-1953.5522236805798 12.22449 13.46035 -8.5809 -6.4468 -10.055 0.9369 0.0128 3.071 9.32806 -2.75659 8.260257285 10.9846140616 0.135321061
+C      1.81446968     -0.34270174     -1.35045636
+C      2.34553958      0.15687697     -0.00532600
+C      3.28835997      1.36338517     -0.11905571
+C      2.59740108      2.63688708     -0.69280680
+C      3.01188391      3.76235970      0.26415941
+N      3.07668732      3.05485416      1.54780827
+C      3.83998756      1.83210677      1.25548922
+H      1.16195681     -1.21824521     -1.22070181
+H      2.64019582     -0.63781501     -2.01698366
+H      1.22943881      0.43073791     -1.87060901
+H      2.88167605     -0.66561920      0.49826320
+H      1.50434969      0.43126553      0.65498478
+H      4.13423723      1.07638744     -0.76608460
+H      1.50377777      2.51422753     -0.65979468
+H      2.88180455      2.84630168     -1.73279393
+H      3.99179216      4.18595843     -0.05138268
+H      2.28260397      4.58523762      0.30498861
+H      3.52412511      3.61608948      2.27501826
+H      4.93179597      2.01950237      1.17135462
+H      3.68668699      1.08195330      2.04697888 
+
+18
+-1808.0112428717334 12.134674 12.9965 -8.698 -6.6101 -9.469 0.9184 -0.1205 1.329 8.95678 -0.73446 6.62953142 6.62953142 0.441883548
+C      0.80852407      0.07234684      0.19260533
+C      2.14170094      0.08683165      0.31787388
+C      3.05635419      1.26816142      0.17614040
+C      2.41375108      2.65863958      0.00171358
+C      3.43565439      3.64833542      0.64390883
+N      4.54796158      2.85036295      1.21673425
+C      3.99674541      1.50157013      1.39054626
+H      0.24229113     -0.85099291      0.32371793
+H      0.23606720      0.96980018     -0.05055806
+H      2.64898132     -0.85945440      0.54503318
+H      3.71776299      1.07021282     -0.69043759
+H      1.45684216      2.70239018      0.54408928
+H      2.20469044      2.88940252     -1.05226291
+H      3.83347146      4.37875518     -0.07473085
+H      2.95020564      4.22094189      1.45098439
+H      5.29632998      2.79716129      0.52039557
+H      4.80101882      0.75713732      1.47434631
+H      3.40537720      1.46601795      2.32316021 
+
+16
+-1673.3975779685752 12.821132 12.7275 -8.4638 -6.4451 -8.217 0.6336 -0.9266 0.288 7.68644 0.2772 4.8931570844 4.8931570844 0.689182746
+C      1.05304115     -0.15212291     -0.35632229
+C      2.39387651     -0.01631782     -0.34169492
+C      3.10427669      1.24332008     -0.23559639
+C      4.44360042      1.40813219     -0.16831938
+C      4.79701389      2.85975568      0.01160023
+N      3.52878626      3.60036130     -0.20510298
+C      2.43605033      2.60302926     -0.10355578
+H      0.58609627     -1.13397599     -0.43365250
+H      0.38470254      0.70834362     -0.28744001
+H      3.01671471     -0.91468961     -0.40977059
+H      5.17788322      0.60096115     -0.17453201
+H      5.18149987      3.03904965      1.03590584
+H      5.58117506      3.21302305     -0.67762100
+H      3.53844525      3.95276184     -1.16326106
+H      1.66899432      2.78555350     -0.87236072
+H      1.92998351      2.67834502      0.87803357 
+
+16
+-1653.2131719511437 11.808631 12.78007 -8.8773 -6.802 -9.648 0.7976 -0.1972 2.316 9.28465 -1.89325 4.3405762796 10.6034191046 0.510313588
+C      0.97371976     -0.04771068      0.15414575
+C      2.18457246     -0.04301530      0.05103787
+C      3.63494636     -0.06954883     -0.04550061
+C      4.35445611      1.16034405      0.59640874
+C      5.53365897      0.54082475      1.40271152
+N      5.67130111     -0.86871248      0.99091135
+C      4.30449375     -1.28442350      0.67803430
+H     -0.09357118     -0.04688134      0.23774870
+H      3.90724386     -0.12426052     -1.11368657
+H      3.66645127      1.71748807      1.24576478
+H      4.70403802      1.84973464     -0.18419880
+H      6.48299950      1.07466361      1.26185481
+H      5.30068904      0.56309300      2.47975142
+H      6.23425552     -0.91180289      0.13610110
+H      4.28987081     -2.20003445      0.07306500
+H      3.76256464     -1.48691812      1.61675064 
+
+14
+-1515.4486244948139 12.287277 12.57893 -8.7865 -6.7135 -8.403 0.6908 -0.9063 0.556 7.93883 0.02384 4.049320767 11.1457586658 0.368545283
+C      0.95890838      0.07328953      0.00481846
+C      2.17280391     -0.03007364     -0.02246275
+C      3.58354611     -0.06361929     -0.05611679
+C      4.39096981     -1.14417171     -0.11222951
+C      5.83616546     -0.71785855     -0.04972061
+N      5.82119489      0.75172145     -0.24553292
+C      4.44546811      1.19662125      0.05520964
+H     -0.10920714      0.13949995      0.03248004
+H      4.05578287     -2.18077915     -0.13199383
+H      6.26549549     -0.97322956      0.93959063
+H      6.47494923     -1.20678483     -0.80185929
+H      5.99172129      0.92885630     -1.23721951
+H      4.12688208      1.99822753     -0.62652370
+H      4.37489951      1.59520073      1.08424013 
+
+18
+-1813.8442630188638 12.380104 13.34291 -8.5374 -6.3715 -8.672 0.917 -0.0058 1.523 8.10746 -0.81764 6.008423553 6.008423553 0.374677772
+C      1.04177416     -0.15849772      0.42077405
+C      2.36982354      0.06469393     -0.23880655
+C      3.05395295      1.21691871     -0.26450589
+C      2.66277673      2.54218607      0.37050622
+C      3.69688967      3.52545387     -0.20123226
+N      4.88760994      2.67579548     -0.35260076
+C      4.39263383      1.42498591     -0.95303430
+H      1.10945385     -0.94268355      1.19288445
+H      0.28767226     -0.50376497     -0.30575294
+H      0.65690912      0.75103757      0.90092901
+H      2.81011729     -0.80631646     -0.73824143
+H      2.76358881      2.48209791      1.46673947
+H      1.62929095      2.84089348      0.14395659
+H      3.32391614      3.93137294     -1.16703483
+H      3.90577929      4.37271902      0.46802135
+H      5.59829582      3.11962595     -0.93670613
+H      4.23111829      1.50636467     -2.05157923
+H      5.09606734      0.59701720     -0.77665681 
+
+18
+-1813.722995130367 12.124219 13.07372 -8.6456 -6.4546 -8.625 0.8979 -0.0581 1.495 8.09171 -0.81348 5.8729440508 5.8729440508 0.293175268
+C      2.52543232     -0.54400979      1.48934926
+C      2.60699008     -0.01100557      0.04827593
+C      3.12020503      1.39547282     -0.04610809
+C      4.25032292      1.82750795     -0.62726728
+C      4.42319930      3.31434777     -0.43583214
+N      3.12948808      3.78659692      0.12428004
+C      2.41616681      2.57639070      0.60151676
+H      2.15236054     -1.57788591      1.50078176
+H      1.84706658      0.06108548      2.10772733
+H      3.51559392     -0.53306866      1.96764086
+H      1.59896968     -0.05804869     -0.40266681
+H      3.24854742     -0.67312450     -0.55395605
+H      4.98722016      1.19346180     -1.12364140
+H      5.24929620      3.52363191      0.27251887
+H      4.66580723      3.85585415     -1.36454521
+H      2.58771723      4.17721427     -0.64806262
+H      1.34268869      2.62911149      0.35332808
+H      2.47903782      2.50349786      1.70504070 
+
+20
+-1935.8574128382234 12.207729 13.39514 -8.6587 -6.5153 -10.199 0.9169 0.0049 2.893 9.49991 -2.54186 8.2693454588 10.1538830644 0.132632289
+C      1.81298290     -0.61204223     -1.28144274
+C      2.33705741      0.03515541      0.00340569
+C      3.29382375      1.22228079     -0.20273699
+C      4.54146684      0.84909151     -0.99413740
+C      2.54560496      2.51894855     -0.64821928
+N      2.43799621      2.92489708      0.77914376
+C      3.53237181      1.98303534      1.13802228
+H      1.07094127     -1.38913625     -1.04887266
+H      2.61605969     -1.08976785     -1.86074548
+H      1.32164756      0.12523782     -1.93462743
+H      2.85806719     -0.72603276      0.61104292
+H      1.48771545      0.38925017      0.61009983
+H      5.23235939      1.70195305     -1.06748832
+H      4.29406512      0.53363797     -2.01905279
+H      5.08087965      0.01830114     -0.51107550
+H      1.57550179      2.39912509     -1.15854012
+H      3.19415503      3.16955598     -1.26462027
+H      2.64361499      3.90898257      0.96129409
+H      4.53945950      2.43955541      1.17454799
+H      3.36035949      1.42082122      2.07126242 
+
+20
+-1941.391651108188 12.405709 13.76625 -8.9029 -6.743 -10.303 0.921 -0.0057 2.989 9.71341 -2.72116 8.4342964332 10.7740858336 0.116441946
+C      2.19473667     -0.53984933     -1.47231037
+C      2.40943719      0.00429939     -0.05783667
+C      3.27912180      1.25465010     -0.01559289
+C      2.70549719      2.58587368     -0.59015318
+C      3.28974185      3.35463154      0.62848025
+N      4.48822730      4.12016676      0.27904978
+C      3.47227814      1.97528951      1.34930286
+H      1.55527271     -1.43433690     -1.46778350
+H      3.15230540     -0.81642437     -1.94045353
+H      1.71439186      0.20976100     -2.11957353
+H      2.86828700     -0.77565303      0.57480300
+H      1.43265418      0.23767929      0.40337784
+H      4.25673058      1.02913644     -0.47670111
+H      1.60436641      2.58737978     -0.58876494
+H      3.05748685      2.92404321     -1.57525460
+H      2.59402965      4.04705172      1.12631491
+H      5.17860891      3.50763561     -0.16635673
+H      4.93267743      4.47552941      1.13038757
+H      4.42221848      1.81946534      1.88290629
+H      2.64024037      1.75821087      2.03904857 
+
+14
+-1561.8162237841684 12.627152 12.27085 -7.7053 -5.9092 -7.759 1.2969 -0.2262 0.543 7.12716 0.13308 4.5543281436 5.2611847282 0.519669622
+C      2.64192117     -1.20966641      0.35750923
+C      2.19992463      0.04783262      0.17092861
+C      3.01358973      1.25184237      0.09443687
+C      2.51125926      2.53769878     -0.09958826
+N      3.57022370      3.41324638     -0.11676194
+C      4.75164653      2.72046066      0.06243752
+C      4.43963799      1.38419715      0.19570485
+H      1.94706130     -2.04788174      0.40037695
+H      3.70295776     -1.43988447      0.47248842
+H      1.12127714      0.20689867      0.06304214
+H      1.48975449      2.88272481     -0.22438602
+H      3.49509951      4.41576798     -0.24217056
+H      5.70648032      3.23524576      0.07952582
+H      5.15715648      0.58403746      0.34964638 
+
+12
+-1405.2641413856074 12.046386 12.0918 -8.0508 -6.1887 -7.91 0.678 -0.1853 0.67 7.35489 -0.01761 4.1186165424 6.0214172858 0.575500958
+C      0.90931129      0.03986948     -0.00439581
+C      2.12683073      0.02900181     -0.00150521
+C      3.54146400     -0.00070301      0.00248799
+C      4.38900457      1.10728463      0.00510558
+N      5.67934057      0.64278422      0.00860745
+C      5.68991243     -0.73799057      0.00830907
+C      4.37977030     -1.16720544      0.00453011
+H     -0.16080964      0.05045523     -0.00686076
+H      4.15819497      2.16645545      0.00472130
+H      6.50482030      1.23065000      0.01105353
+H      6.62213708     -1.29215335      0.01077681
+H      4.03655341     -2.19640845      0.00332993 
+
+16
+-1702.7565853836493 11.994102 12.60643 -7.8411 -5.9805 -7.905 0.8427 -0.0124 1.101 7.35015 -0.51775 4.7917861308 6.1913153016 0.426603015
+C      2.41409243     -0.62876342     -1.39703339
+C      2.35597979      0.04367001     -0.01630630
+C      2.95016562      1.42463530      0.00613255
+C      2.25634918      2.61698177      0.14684088
+N      3.16605662      3.65348608      0.09378205
+C      4.43596763      3.14876327     -0.07880723
+C      4.33130411      1.77056890     -0.13768575
+H      1.98003455     -1.63921223     -1.36479255
+H      3.45166022     -0.71710931     -1.75068450
+H      1.86014961     -0.03958776     -2.14230148
+H      2.87932092     -0.59334371      0.71699228
+H      1.30836285      0.09679831      0.32101805
+H      1.19605650      2.80532297      0.28434621
+H      2.93507366      4.63612896      0.17731376
+H      5.29823691      3.80440052     -0.14027504
+H      5.16183940      1.08106033     -0.26554955 
+
+13
+-1431.6298114547258 11.641096 11.4506 -8.4116 -6.5821 -8.619 0.9711 -0.628 0.021 8.11433 0.5606 4.7171837546 4.7171837546 0.320026921
+C      2.71602328     -1.22050124      0.33345747
+C      2.27057844      0.03144259      0.13661613
+C      3.09568758      1.22906690      0.06361900
+N      2.49924188      2.42429126     -0.14050186
+N      3.51735511      3.30920401     -0.15683140
+C      4.74032972      2.73222343      0.02803350
+C      4.50788379      1.37894986      0.17536295
+H      2.02575050     -2.06235854      0.37455820
+H      3.77696581     -1.44547227      0.45924269
+H      1.19989809      0.21687661      0.01474607
+H      3.31087684      4.29236213     -0.29857716
+H      5.65471823      3.31699893      0.03937865
+H      5.25268073      0.60794635      0.34010577 
+
+11
+-1272.197799270437 11.155388 11.28945 -8.8668 -6.9257 -8.821 1.0572 -0.563 0.067 8.41696 0.52935 4.0822886444 6.385155014 0.326649392
+C      0.94250566      0.07987824      0.00187865
+C      2.15778177      0.06215195     -0.00101288
+C      3.57375877     -0.01571294     -0.00402767
+N      4.34181008      1.09912184     -0.00906132
+N      5.60117003      0.62105764     -0.01052372
+C      5.67638270     -0.74107307     -0.00667326
+C      4.37167403     -1.19551116     -0.00236266
+H     -0.12751295      0.10788064      0.00437225
+H      6.37031962      1.28330420     -0.01422335
+H      6.62726256     -1.26414586     -0.00730059
+H      4.02667772     -2.22308148      0.00144453 
+
+15
+-1573.932964550813 11.135726 11.84411 -8.9734 -7.0681 -9.154 0.8681 0.0125 0.541 8.46806 -0.00870999999999 5.0807107066 11.2664094424 0.268396467
+C      2.30040816     -0.56912390     -1.39342100
+C      2.38407861      0.04753518      0.01168981
+C      3.01653653      1.40774796      0.02449992
+N      2.26185272      2.50736651      0.19374715
+N      3.14144658      3.53590048      0.12342388
+C      4.42569296      3.13236288     -0.08299086
+C      4.38400911      1.74989290     -0.15420266
+H      1.83388368     -1.56418708     -1.35737064
+H      3.29875172     -0.67939236     -1.84164505
+H      1.70165688      0.06630371     -2.06154623
+H      2.95356169     -0.62423417      0.67467929
+H      1.37558758      0.14066577      0.44075404
+H      2.79806797      4.48428645      0.23022728
+H      5.24597231      3.83980273     -0.15509145
+H      5.22541351      1.08140293     -0.30807350 
+
+15
+-1536.847480539268 11.282817 11.68479 -8.4068 -6.3797 -9.151 1.2017 -0.2616 0.693 8.67217 -0.07107 5.1146828706 6.8089639592 0.298395802
+C      1.71876220     -0.74360590     -0.94905078
+C      2.09180678      0.13280399     -0.01133718
+C      3.11092205      1.22315120     -0.17554951
+C      3.52740926      1.61835062     -1.60367292
+C      3.81317938      3.08723931     -1.39525135
+N      3.30968298      3.56100895     -0.30437218
+N      2.62220628      2.53831318      0.34674930
+H      0.98331437     -1.51941819     -0.73368961
+H      2.13050081     -0.72270486     -1.96009873
+H      1.65383339      0.05652477      0.99006053
+H      4.02460432      0.93293017      0.38825458
+H      2.68748467      1.49346583     -2.31259011
+H      4.38145756      1.04441541     -1.98505937
+H      4.30738446      3.75206122     -2.10285424
+H      2.70100148      2.66071431      1.35711157 
+
+13
+-1380.5780983755021 10.837086 11.24731 -8.5999 -6.6051 -9.16 1.3894 -0.3128 0.626 8.71313 -0.00146999999998 4.3629557526 10.7989698238 0.621675417
+C      0.94664458      0.02243801      0.02735738
+C      2.16050945     -0.01798762      0.01513196
+C      3.62259467     -0.01969468     -0.00077692
+C      4.23081153     -1.21826207     -0.77960558
+C      4.53429725     -0.55871230     -2.10363674
+N      4.47934995      0.72824023     -2.07202178
+N      4.19089706      1.14028376     -0.77023720
+H     -0.12391591      0.05388409      0.03625584
+H      3.99621328      0.02092980      1.03300253
+H      3.54292764     -2.07007028     -0.85345315
+H      5.15838689     -1.56759552     -0.29584717
+H      4.83199475     -1.07335646     -3.01626381
+H      3.57639885      1.95605304     -0.79713537 
+
+17
+-1684.100436649441 11.389674 12.14214 -8.2979 -6.2547 -9.072 0.8613 -0.0684 0.749 8.60855 -0.14562 5.1334915468 5.2926027806 0.156270037
+C      3.22126073     -1.18610687     -0.48949233
+C      2.48627565      0.00471280      0.12957578
+C      3.25400013      1.31827485      0.00036601
+C      3.43065745      1.86518700     -1.43246547
+C      3.36312451      3.35033471     -1.16507665
+N      2.87814308      3.64320846     -0.00444368
+N      2.53698244      2.45477540      0.64205225
+H      2.65573693     -2.11725090     -0.34597066
+H      4.21339281     -1.32560668     -0.03295946
+H      3.36857459     -1.05171442     -1.57148978
+H      2.30016769     -0.19397992      1.19847671
+H      1.49670986      0.13539388     -0.33798370
+H      4.25793923      1.20202791      0.46165337
+H      2.58978031      1.55443617     -2.08281068
+H      4.36157278      1.54236193     -1.91646914
+H      3.60567376      4.14355335     -1.87164417
+H      2.68521804      2.55472233      1.64660159 
+
+20
+-1932.7643402730123 12.574635 14.10397 -8.7468 -6.7754 -10.377 1. 0.1228 3.171 9.67511 -2.83996 8.4620073042 11.783753426 0.202043602
+C      1.90938685     -0.32136213      1.32770131
+C      1.92623278      0.36879879     -0.03895939
+C      3.15918898      1.22034845     -0.24260744
+C      3.16772621      2.45075098     -1.08897001
+N      3.17316540      2.54986431      0.37896299
+C      4.44534888      2.97416354      0.97211863
+C      4.53084685      4.49423467      1.05342838
+H      1.00584987     -0.93434459      1.45632515
+H      1.93166210      0.42414567      2.13601994
+H      2.78131395     -0.98207915      1.45257812
+H      1.03759967      1.01077181     -0.14623177
+H      1.87653510     -0.38301730     -0.84522139
+H      4.11210469      0.67179101     -0.21272830
+H      2.25038496      2.78204364     -1.58301230
+H      4.09608761      2.69044672     -1.62031296
+H      5.31333889      2.57636913      0.40135553
+H      4.49782483      2.53732334      1.98314745
+H      4.50053692      4.94461081      0.05035514
+H      5.46778603      4.80541621      1.53658369
+H      3.68851943      4.89785410      1.63206723 
+
+15
+-1529.5310668027591 11.948379 12.40066 -9.1299 -7.2167 -9.596 1.0956 -0.5047 0.848 9.30041 -0.29217 4.85467183 6.6858334626 0.392174729
+C      1.92995528     -0.83066032     -0.17952928
+C      2.01754548      0.38744546     -0.72761758
+C      3.04367344      1.38427639     -0.35658054
+C      3.69415958      2.28302435     -1.38656422
+N      2.69537878      2.80614179     -0.46557434
+C      3.03015518      3.72598007      0.54192898
+N      2.86029015      3.61876940      1.80551772
+H      1.16501260     -1.54101198     -0.49305821
+H      2.62179750     -1.15671809      0.60092733
+H      1.30971688      0.70023551     -1.50189849
+H      3.68408218      1.11326517      0.49193775
+H      3.38760080      2.21039801     -2.43314658
+H      4.74265566      2.54383408     -1.21303393
+H      3.41951399      4.66992183      0.13245374
+H      2.47532250      2.69045835      2.04215764 
+
+17
+-1671.600131263788 11.771082 12.73833 -9.6189 -7.6317 -10.832 1.4643 -0.1929 0.898 10.18864 -0.35427 4.956402343 9.082222472 0.259454725
+C      0.45124014      1.18221361      0.25067302
+C      1.71463695      0.84276636     -0.54345344
+C      2.97410018      1.34090823      0.12513021
+C      4.19299892      1.72672176     -0.61717401
+N      3.29972712      2.78864157     -0.07562837
+C      3.80927082      3.43739231      1.09028054
+N      3.51759294      4.62245020      1.44872294
+H     -0.44869594      0.81259142     -0.25991370
+H      0.35002614      2.26979784      0.37343178
+H      0.47595147      0.72979537      1.25346561
+H      1.65829507      1.27967444     -1.55251665
+H      1.80088330     -0.24971459     -0.67193240
+H      3.14181643      0.96622634      1.14353721
+H      4.20803410      1.68053232     -1.70821614
+H      5.16267555      1.58655203     -0.12943355
+H      4.50880129      2.85136867      1.71801109
+H      2.86700552      5.02986210      0.75643588 
+
+15
+-1505.1216583304513 12.433516 12.64039 -8.6902 -6.7506 -9.3 1.1023 -0.6899 0.597 8.83485 -0.00695000000002 4.7764862584 6.3685160928 0.608424291
+C      1.47582260     -0.39441370     -0.11840965
+C      1.80220122      0.69762484     -0.82265709
+C      3.17477239      1.21952298     -0.93969679
+C      3.69147997      1.88220888     -2.16752216
+N      3.30827854      2.72486631     -1.01359257
+N      4.49898989      3.11401619     -0.28982218
+C      4.29274124      4.16256298      0.41173739
+H      0.44793391     -0.75446891     -0.07283999
+H      2.22845623     -0.96462034      0.43117200
+H      1.03002137      1.25599111     -1.36125243
+H      3.93545287      0.73669567     -0.31980556
+H      3.04257943      2.00532505     -3.03650702
+H      4.76111998      1.78982221     -2.36577032
+H      5.12993306      4.54074897      1.00436239
+H      3.32389731      4.68083779      0.43521400 
+
+17
+-1649.790107278506 12.162859 12.99992 -8.6468 -6.6787 -10.291 1.3375 -0.4801 0.684 9.69437 -0.11022 4.7457625276 6.9284988618 0.590993143
+C      2.40281443     -1.04799226     -0.10111458
+C      2.04090476      0.43952921     -0.04457569
+C      3.26281877      1.32547497     -0.09317437
+C      3.85544234      1.82202392     -1.35563024
+N      3.04020380      2.74302738     -0.51043740
+N      3.92802108      3.60425481      0.24045230
+C      3.34933470      4.69522671      0.56957709
+H      1.50122399     -1.67469164     -0.05624708
+H      3.05089382     -1.33497979      0.74064644
+H      2.93787328     -1.29208630     -1.03087930
+H      1.47996497      0.65637697      0.88007627
+H      1.37666677      0.70442494     -0.88200671
+H      3.97059485      1.21575668      0.73526629
+H      3.38823527      1.58691578     -2.31437139
+H      4.92877638      2.01875722     -1.37354358
+H      3.93092547      5.41798583      1.14819776
+H      2.30932534      4.92182557      0.29478420 
+
+20
+-1936.9680688394772 12.337675 13.77118 -8.4726 -6.3611 -10.045 0.8961 0.0072 2.981 9.41411 -2.68691 8.1647508692 10.7453210816 0.156803066
+C      2.24815578     -0.52094192     -1.57543367
+C      2.38619547     -0.02640434     -0.13306215
+C      3.23135678      1.23515915     -0.01305154
+C      2.65861892      2.57653502     -0.53977417
+N      2.99131715      3.27143727      0.75025807
+C      3.34557239      1.94297747      1.36651068
+C      4.66466586      1.87840234      2.11125345
+H      1.62412144     -1.42403078     -1.63432109
+H      3.23124335     -0.76427404     -2.00726211
+H      1.78550378      0.24485669     -2.21658906
+H      2.82948627     -0.82244541      0.49014933
+H      1.38570740      0.17490714      0.28884547
+H      4.23881267      1.05265623     -0.42792665
+H      1.56635729      2.55160630     -0.69760745
+H      3.12799648      3.00393009     -1.43795731
+H      3.84730362      3.82241980      0.63159053
+H      2.52577093      1.63486053      2.04230241
+H      5.50483763      2.14312718      1.44919624
+H      4.84644197      0.86561213      2.50212131
+H      4.66752485      2.57166915      2.96615771 
+
+20
+-1939.5344939664335 12.340636 13.86654 -9.0158 -6.9805 -10.625 0.86 -0.0613 2.839 10.02132 -2.50078 8.3798045862 11.2713564838 0.144209466
+C      2.27284957     -1.21566747     -0.71416590
+C      1.90113534      0.13742218     -0.09542602
+C      3.09701035      0.98991201      0.31629834
+C      3.94233678      0.41850276      1.43795411
+N      3.86603601      1.66606321     -0.76523460
+C      2.97922489      2.46941322      0.11488969
+C      3.63086549      3.52314033      0.97746298
+H      1.37370713     -1.75022697     -1.05147277
+H      2.79179356     -1.86546575      0.00448623
+H      2.93391718     -1.08915818     -1.58489586
+H      1.25822869     -0.02602054      0.78741785
+H      1.29195358      0.71227688     -0.81412487
+H      4.80181984      1.06198092      1.65698327
+H      4.33786451     -0.57066640      1.16410826
+H      3.34635517      0.30398232      2.35707136
+H      3.40328329      1.50380124     -1.66701064
+H      2.02343870      2.78704676     -0.32118563
+H      4.60578396      3.19007227      1.35412491
+H      2.99221780      3.78170078      1.83591827
+H      3.79870818      4.44052045      0.39331102 
+
+19
+-1811.2662229365073 12.051676 13.31869 -8.3584 -6.2339 -9.681 0.8753 -0.0628 3.048 9.42998 -2.70449 7.9217879036 9.4240890698 0.172583924
+C      3.00360357     -1.16095321     -0.63768247
+C      2.40005315      0.07694156      0.03648704
+C      3.36533454      1.24014803      0.10950268
+C      3.47425840      2.28197751     -1.01865328
+N      2.68319132      2.30138117     -2.23019327
+C      2.87168598      2.67259576      0.29398736
+N      3.49819333      3.67459957      1.13243490
+H      2.28676557     -1.99458712     -0.66631612
+H      3.89789753     -1.50739826     -0.09764227
+H      3.30922218     -0.94234460     -1.67201220
+H      2.06195910     -0.18646404      1.05386106
+H      1.49215241      0.38379567     -0.51045539
+H      4.31952201      1.01433950      0.60008721
+H      4.49011721      2.65670902     -1.18723559
+H      1.68584318      2.24321599     -2.02099995
+H      2.91300461      1.50484563     -2.82997817
+H      1.77901622      2.77307011      0.27649850
+H      4.49221354      3.75408446      0.90885989
+H      3.43876614      3.40119325      2.11728007 
+
+20
+-1938.077098912478 12.305291 13.57483 -9.1343 -6.87 -10.49 0.8984 -0.0441 2.93 9.87064 -2.56413 8.5196731928 11.0551620956 0.200415588
+C      0.66679707      0.49605360      0.72713775
+C      1.84161832      0.27483464     -0.23303305
+C      3.07131424      1.14964170      0.00514273
+C      3.95871692      0.81546513      1.19573052
+N      3.28163111      1.02277945      2.48866346
+C      3.80126378      1.65071594     -1.22470841
+C      2.98041165      2.61104778     -0.39315841
+H     -0.18403836     -0.14349119      0.44888084
+H      0.32272727      1.54138136      0.69193835
+H      0.95578194      0.27260333      1.76124375
+H      1.49612164      0.44818108     -1.26630105
+H      2.15636880     -0.78305455     -0.19436658
+H      4.89893045      1.39666621      1.09339201
+H      4.24104650     -0.25042710      1.13729389
+H      3.04220633      2.01350483      2.58899473
+H      3.92637841      0.80510825      3.25194196
+H      3.41050377      1.35557697     -2.19958800
+H      4.88818126      1.73935714     -1.18095376
+H      3.51750365      3.34955432      0.20561914
+H      2.03622525      2.96837110     -0.80756986 
+
+20
+-1932.1540198556086 12.568951 13.86216 -8.2403 -6.2179 -9.724 0.9668 0.0705 3.139 8.96234 -2.82789 7.8709040492 10.6066675378 0.108389344
+C      1.86841706     -0.58591381     -1.33161021
+C      2.29170543      0.09788957     -0.02950885
+C      3.55651453      0.94128192     -0.17828775
+C      3.36545117      2.30498491     -0.89891059
+N      3.25916436      2.96141057      0.42491143
+C      3.86361767      4.26679468      0.58904429
+C      3.92151482      1.79943327      1.06214037
+H      0.95560589     -1.18284854     -1.19275728
+H      2.65665938     -1.26065159     -1.70071341
+H      1.66415719      0.14979555     -2.12444430
+H      2.46740026     -0.66652822      0.74727775
+H      1.47716054      0.74095545      0.34360199
+H      4.37919243      0.32626975     -0.57165204
+H      2.48451219      2.43254694     -1.55019081
+H      4.27595980      2.60623315     -1.45794017
+H      3.80001137      4.57796247      1.64277436
+H      3.31835952      5.00897362     -0.01308132
+H      4.93499549      4.29115440      0.28418407
+H      5.01918040      1.93090007      1.16464836
+H      3.49978051      1.50246584      2.03718409 
+
+15
+-1553.3838954134646 11.130058 11.64991 -8.5926 -6.5755 -9.378 1.0469 -0.3278 0.882 8.75433 -0.26702 5.1419101962 6.6967194334 0.402732963
+C      1.69158535     -0.64495769     -1.02046951
+C      1.98138993      0.23898095     -0.06055647
+C      3.10241320      1.24305484     -0.09853548
+C      3.65726083      1.64438335     -1.49581034
+N      3.96567344      3.08878719     -1.42489233
+C      3.40992846      3.50385739     -0.34182342
+N      2.70214313      2.57749387      0.42015071
+H      0.88278949     -1.36565066     -0.89563958
+H      2.24575575     -0.68618689     -1.96040298
+H      1.39544116      0.22766674      0.86532353
+H      3.93093518      0.85003799      0.52702954
+H      2.89295781      1.48895481     -2.27704106
+H      4.55013570      1.07184417     -1.78043560
+H      3.42534204      4.55027795     -0.02468435
+H      2.69297854      2.71028600      1.43010734 
+
+13
+-1397.659026882651 10.747442 11.27278 -8.8268 -6.8629 -9.457 0.9877 -0.1452 0.79 8.84838 -0.17001 4.3703081224 10.7294508736 0.28611455
+C      0.94218377     -0.01982091      0.03754233
+C      2.15651113     -0.00989572      0.01736143
+C      3.61709083      0.00433006     -0.00788314
+C      4.25302048     -1.19410487     -0.80821956
+N      4.68182362     -0.64691163     -2.10453319
+C      4.57669156      0.62895089     -2.00293038
+N      4.16255653      1.15390231     -0.77658871
+H     -0.12875066     -0.03144366      0.05141264
+H      3.99391458      0.03143477      1.02617977
+H      3.54089214     -2.01868085     -0.94546787
+H      5.13188222     -1.58528753     -0.27091027
+H      4.84636865      1.31920402     -2.80623766
+H      3.58983515      1.99732311     -0.79568539 
+
+15
+-1564.7392598735585 11.656868 11.97889 -7.7572 -5.7635 -8.134 0.7349 -0.2083 0.781 7.60203 -0.13139 4.7908562358 5.4574173704 0.218601255
+C      0.97933485     -0.01344051      0.20234015
+C      2.41894058      0.08820887     -0.21038306
+C      3.17295025      1.20141919     -0.17216270
+C      4.64269392      1.39857899     -0.54153349
+N      4.91985466      2.84617408     -0.41885102
+C      3.82433111      3.36743493      0.00880015
+N      2.77333371      2.48799524      0.24680354
+H      0.80035225     -0.92575284      0.79182072
+H      0.29869232     -0.06188636     -0.66519985
+H      0.65863691      0.83436263      0.82597346
+H      2.89797411     -0.81952234     -0.58392752
+H      4.87153608      1.05811147     -1.56362923
+H      5.30997481      0.84407593      0.13894764
+H      3.69039767      4.43230607      0.21044879
+H      1.80594678      2.77833465      0.33899242 
+
+19
+-1810.7175117235918 11.729745 12.94739 -8.9594 -6.8757 -10.685 0.8 -0.1812 2.849 10.07838 -2.49525 8.4506625852 11.3706816684 0.247636206
+C      0.72484728      0.26229802      0.56057044
+C      1.82282978      0.17365178     -0.50480996
+C      3.11742886      0.87034767     -0.11198637
+C      3.86673956      0.22689526      1.05604663
+N      5.07481229      0.97626199      1.43097026
+C      3.89084060      1.60724651     -1.14829767
+N      3.06146072      2.34643065     -0.16234275
+H     -0.21702899     -0.16542005      0.18917417
+H      0.54007351      1.31324281      0.82593474
+H      0.98876459     -0.28187922      1.47941126
+H      1.45993246      0.63814969     -1.43439664
+H      2.03985220     -0.88254171     -0.74470105
+H      4.06074482     -0.83494402      0.80644607
+H      3.19684341      0.22507171      1.93072408
+H      5.87915466      0.66457330      0.88406067
+H      5.30718904      0.80618648      2.40948741
+H      3.52052398      1.63237663     -2.17680103
+H      4.97719252      1.67593354     -1.04600824
+H      3.71241870      2.68382894      0.56194796 
+
+17
+-1700.9628712182462 11.264419 12.10878 -8.5024 -6.453 -9.307 0.7891 -0.1397 0.941 8.69682 -0.33842 5.1649343964 12.3726373316 0.22914564
+C      3.15626195     -1.16283482     -0.53185379
+C      2.46006409      0.04483202      0.10016646
+C      3.31918175      1.30886585      0.06578288
+C      3.59817393      1.88238696     -1.35633030
+N      3.49001214      3.35373220     -1.25550611
+C      2.97544975      3.57700465     -0.09775396
+N      2.65254455      2.47597819      0.69020288
+H      2.52685410     -2.06085464     -0.46469106
+H      4.10870754     -1.38490363     -0.02594982
+H      3.37692374     -0.99231453     -1.59605447
+H      2.19849917     -0.18701181      1.14632967
+H      1.51098031      0.25904205     -0.41855698
+H      4.27775162      1.10727926      0.58484610
+H      2.83957816      1.52155296     -2.07554745
+H      4.58389035      1.59726472     -1.74958527
+H      2.73585450      4.57992104      0.26651564
+H      2.72246234      2.58130953      1.70066559 
+
+15
+-1583.7345295244234 11.176863 11.77734 -8.2916 -6.3716 -8.09 0.6654 -0.3026 0.837 7.62243 -0.14129 4.588597874 9.2434786636 0.334085048
+C      2.50873659     -0.60784028     -1.41001252
+C      2.40765616      0.05284323     -0.02477083
+C      2.92066673      1.45652305      0.02606649
+C      2.29019129      2.67261576      0.20690251
+N      3.18771055      3.72125345      0.16053993
+C      4.36354382      3.15701467     -0.04821229
+N      4.25780807      1.79006430     -0.13828034
+H      2.09372592     -1.62554180     -1.38792853
+H      3.55252543     -0.68307135     -1.74954886
+H      1.95667428     -0.02548671     -2.16073348
+H      2.93415663     -0.56962633      0.71979476
+H      1.35503191      0.07699765      0.29447379
+H      1.22883245      2.84197616      0.37167181
+H      5.31558383      3.67285346     -0.14067383
+H      5.02047635      1.13737473     -0.29124861 
+
+13
+-1442.5466933863368 11.783131 11.53018 -8.0776 -6.1383 -7.845 1.1622 -0.369 0.51 7.33013 0.0963 4.4728445444 4.7077980144 0.428060552
+C      2.68745018     -1.12796077      0.38478676
+C      2.17816006      0.09576421      0.16340395
+C      2.96039383      1.32110685      0.09982004
+C      2.48553369      2.60545594     -0.12490019
+N      3.59663629      3.42289734     -0.09517025
+C      4.68493788      2.61808084      0.14222706
+N      4.33993113      1.35316245      0.26419479
+H      2.04468706     -2.00700455      0.42034682
+H      3.75917916     -1.26589199      0.53375390
+H      1.10048053      0.21642905      0.01589080
+H      1.48722512      2.99272310     -0.29706288
+H      3.60464828      4.42967902     -0.22461724
+H      5.69373679      3.01624853      0.21394643 
+
+11
+-1283.159906703155 11.21082 11.30746 -8.4382 -6.5066 -8.052 0.5496 -0.3407 0.526 7.59347 -0.07689 4.1583540554 6.5125134332 0.431065229
+C      0.95122954     -0.01371881     -0.00273851
+C      2.16721607     -0.01202984      0.00067881
+C      3.58388552      0.00946878      0.00426788
+C      4.40077737      1.13197993      0.00362096
+N      5.68718415      0.64420131      0.00815039
+C      5.60763611     -0.72809026      0.01133375
+N      4.35854951     -1.14715210      0.00911241
+H     -0.11905610     -0.02245178     -0.00572597
+H      4.17297449      2.19131662      0.00044076
+H      6.53559992      1.20240939      0.00898324
+H      6.49153342     -1.35980324      0.01515627 
+
+13
+-1396.1873313468154 10.567611 10.80112 -9.8245 -7.7282 -9.691 0.1637 -1.5643 0.073 9.37002 0.52046 4.8376113564 6.6450420686 0.23962456
+C      1.47892077     -0.37131110     -1.11283464
+C      2.12112952      0.03938740     -0.01440164
+C      3.19811731      1.09787359      0.02060245
+C      2.76718211      2.44661038      0.53891330
+N      3.06697337      3.41559273     -0.25871534
+N      3.73603717      2.85232871     -1.42330115
+C      3.78869011      1.57083539     -1.27299459
+H      0.69707390     -1.12852623     -1.05022663
+H      1.70286327      0.03235885     -2.10195691
+H      1.85668843     -0.38915254      0.95701801
+H      4.02739557      0.73946318      0.66640421
+H      2.25656504      2.62946960      1.48585376
+H      4.26161342      0.93527004     -2.02386082 
+
+15
+-1536.4010115181895 11.285735 11.60605 -8.4442 -6.4011 -9.123 1.417 -0.2572 0.67 8.6703 -0.06062 5.1202746392 6.784885878 0.219080179
+C      0.88186013      0.22704806     -0.19230319
+C      2.20563493      0.06923770     -0.07723551
+C      3.20719860      1.17924481      0.09122770
+C      3.71997775      1.37789272      1.54077398
+N      4.06519812      2.81846474      1.53368626
+N      3.23388340      3.47281245      0.62445762
+C      2.74864608      2.59692628     -0.19061848
+H      0.21929852     -0.63234582     -0.30184887
+H      0.41642215      1.21519521     -0.17762051
+H      2.62168587     -0.94401380     -0.09525040
+H      4.07593381      0.96575371     -0.56547082
+H      4.59572625      0.76401264      1.78674434
+H      2.90290261      1.15819975      2.25359595
+H      4.02406048      3.28703671      2.43874480
+H      2.15734128      2.91406484     -1.04894287 
+
+11
+-1238.2504031561084 10.27153 10.70253 -10.0189 -7.9142 -9.818 -0.004 -1.7665 -0.044 9.60886 0.62528 4.3580955014 9.489454489 0.48774417
+C      0.92478107      0.00008046      0.05701468
+C      2.13670270      0.00005262      0.01572926
+C      3.58836230     -0.00001403     -0.05708195
+C      4.23578165      1.13404641     -0.81895549
+N      5.06898985      0.72601560     -1.71242013
+N      5.06896953     -0.72897992     -1.71114232
+C      4.23578482     -1.13542497     -0.81693908
+H     -0.14547957      0.00010918      0.09656098
+H      4.01039888      0.00089641      0.97038451
+H      4.05789437      2.19419163     -0.63572222
+H      4.05789440     -2.19524340     -0.63182825 
+
+13
+-1379.1767768172783 10.886133 11.35481 -8.576 -6.5667 -9.142 1.3454 -0.3332 0.519 8.67021 0.06809 4.3372658534 10.8946994144 0.377336293
+C      0.96742518      0.01222943      0.01914084
+C      2.18110729     -0.00713527      0.00072628
+C      3.64348009     -0.00949362     -0.01842477
+C      4.29432083     -1.26522822      0.62294189
+N      4.56457009     -0.79855215      2.00096617
+N      4.73140925      0.57945555      1.99336469
+C      4.22501683      1.06123058      0.91054084
+H     -0.10304843      0.02606067      0.03922051
+H      3.98317193      0.12605378     -1.05720864
+H      5.22944923     -1.50891866      0.08778650
+H      3.62968131     -2.13724928      0.62128750
+H      5.34320545     -1.24824948      2.48086981
+H      4.14812095      2.13480668      0.75084839 
+
+15
+-1545.349077443508 12.260049 11.94625 -7.7225 -5.7697 -8.184 0.533 -1.0127 -0.132 7.7746 0.64435 4.2441151716 4.2441151716 0.343895181
+C      0.97388019     -0.07197571     -0.18591495
+C      2.42200673      0.04925865      0.17522915
+C      3.13795721      1.19514304      0.20245799
+C      4.60982718      1.34794502      0.55266088
+N      4.88862166      2.72729445      0.09090090
+N      3.70750350      3.41537966     -0.10465685
+C      2.72254356      2.55850809     -0.10363366
+H      0.83423217     -0.77240022     -1.02572553
+H      0.52807561      0.88866869     -0.47350712
+H      0.38682753     -0.47761120      0.65466703
+H      2.93044523     -0.88408271      0.43886221
+H      5.25709367      0.62297986      0.03912673
+H      4.77393252      1.25346951      1.64190659
+H      5.55346267      3.27961097      0.62930397
+H      1.71701057      2.90244190     -0.33614735 
+
+15
+-1542.9731651751001 10.730923 11.33774 -9.8735 -7.85 -9.932 0.2502 -1.4708 0.138 9.60259 0.42115 4.9222937944 12.2924803826 0.320775129
+C      3.12318703     -1.25315371     -0.56748420
+C      2.44675727     -0.05905703      0.10692940
+C      3.29876809      1.23115453      0.07395450
+C      2.70037241      2.41959301      0.76221034
+N      2.59517073      3.45905164      0.00201163
+N      3.11525023      3.10415213     -1.31151095
+C      3.50006346      1.87070986     -1.26664976
+H      2.49309468     -2.14965657     -0.48687949
+H      4.09137730     -1.48217676     -0.09756305
+H      3.30237442     -1.07204624     -1.63663668
+H      2.23436208     -0.30045479      1.16005106
+H      1.47629999      0.14969042     -0.36943701
+H      4.28740508      1.00857198      0.52330507
+H      2.37134345      2.45363527      1.80297222
+H      3.93432379      1.39564626     -2.14810309 
+
+17
+-1682.3634663783025 11.441929 12.16076 -8.3107 -6.2654 -9.08 1.1464 -0.1692 0.746 8.62871 -0.12836 5.120683793 9.1290519842 0.149624257
+C      2.38728700     -0.47494072     -1.61937281
+C      2.48136473      0.00373070     -0.16884929
+C      3.31367158      1.28091323      0.00632070
+C      3.49695833      1.73951986      1.46763878
+N      3.60285805      3.20914661      1.31802352
+N      2.88454404      3.59314642      0.18374081
+C      2.72714917      2.55552595     -0.56945255
+H      1.80235610     -1.40257728     -1.69164196
+H      3.38572781     -0.67659336     -2.03657493
+H      1.90140575      0.27136900     -2.26473877
+H      2.92819460     -0.79429690      0.44765886
+H      1.47092628      0.17997046      0.23677751
+H      4.30783313      1.11724917     -0.45796038
+H      4.39460394      1.32812653      1.94688150
+H      2.60630117      1.45637974      2.06370252
+H      3.29805592      3.76019510      2.12023495
+H      2.27480241      2.66826548     -1.55429845 
+
+13
+-1430.1164681487505 11.614629 11.40329 -8.2931 -6.4579 -8.316 1.0154 -0.5581 0.19 7.82584 -0.16061 4.597152908 11.5354838596 0.306271327
+C      2.67333289     -1.19749534      0.36412075
+C      2.20334217      0.04750163      0.16950777
+C      2.99416240      1.26758101      0.09650770
+C      2.50349898      2.55853914     -0.10559682
+N      3.58071033      3.38792529     -0.10450896
+N      4.75686487      2.74021089      0.08436467
+C      4.40300362      1.45758805      0.20605054
+H      1.99663339     -2.05043465      0.40351582
+H      3.73770578     -1.40493254      0.48924950
+H      1.12302429      0.18140186      0.05171944
+H      1.49194059      2.92754318     -0.24527884
+H      3.58986201      4.39514432     -0.22538171
+H      5.17458869      0.70982717      0.36884015 
+
+11
+-1273.503580013855 11.112251 11.2098 -8.7357 -6.799 -8.505 1.1542 -0.4311 0.166 8.07649 0.43657 4.143178169 6.1287767632 0.438972789
+C      0.91033830      0.00864290     -0.00285983
+C      2.12682140      0.02960690     -0.00051134
+C      3.53985680      0.02869871      0.00216463
+C      4.39705469      1.13156573      0.00503689
+N      5.65746841      0.62812451      0.00679920
+N      5.70296253     -0.72680340      0.00544477
+C      4.41999856     -1.09438128      0.00240137
+H     -0.15984918     -0.00810425     -0.00492700
+H      4.19023392      2.19632294      0.00590911
+H      6.52935875      1.14750035      0.00905175
+H      4.15130581     -2.14669312      0.00067045 
+
+15
+-1571.8428330141878 11.075885 11.74545 -8.7704 -6.8768 -8.803 0.8446 -0.0297 0.456 8.20906 0.09206 4.8537791308 6.3420202846 0.289945395
+C      2.29979790     -0.56890189     -1.41390137
+C      2.46406997      0.00345050      0.00397830
+C      2.98734186      1.41208343      0.02270586
+C      2.26161575      2.59795809     -0.00222546
+N      3.17395830      3.61179249     -0.01337823
+N      4.45536827      3.18031197      0.00413219
+C      4.33890600      1.84438191      0.02344384
+H      1.92494068     -1.60243250     -1.38133107
+H      3.25877757     -0.56995719     -1.95175326
+H      1.59152396      0.03349677     -2.00109150
+H      3.14875577     -0.64031442      0.57931476
+H      1.49661163     -0.03716325      0.52931258
+H      1.19261485      2.78991364     -0.00733960
+H      2.99267576      4.60982955     -0.02002714
+H      5.23766174      1.23176092      0.04595011 
+
+20
+-1938.4297139312407 12.449321 14.21346 -9.0727 -7.0131 -10.665 0.9233 0.0344 2.985 10.06733 -2.72933 8.53829589 11.1293677166 0.13376872
+C      1.41432082     -0.21634796      1.18449975
+C      1.91133211      0.47211045     -0.09137278
+C      3.14383826      1.31751134      0.14191334
+N      3.56822718      2.33596380     -0.84867847
+C      3.03295904      2.76467859      0.47078047
+C      3.99962173      3.48562468      1.38194209
+C      4.15823830      4.96390640      1.01524031
+H      0.52413625     -0.82985654      0.98620224
+H      1.15228195      0.52202248      1.95654301
+H      2.18720316     -0.87769869      1.60353147
+H      1.11258641      1.11114587     -0.50703130
+H      2.13339498     -0.28842103     -0.85975950
+H      3.99424557      0.77385512      0.57248886
+H      2.83472292      2.42799598     -1.56108292
+H      2.01044107      3.16584093      0.47548544
+H      4.97593449      2.97860004      1.32433320
+H      3.64887371      3.38965065      2.42388430
+H      4.51879926      5.06763483     -0.01843681
+H      4.87551807      5.46772713      1.67853230
+H      3.19882471      5.49862596      1.09464501 
+
+16
+-1648.948155051789 12.940213 13.42716 -8.7735 -6.78 -9.055 1.1386 -0.4997 0.979 8.67913 -0.50076 6.167435598 6.167435598 0.712430462
+C      1.76096224     -0.25740363     -1.29903211
+C      2.45086195     -0.02077432     -0.17495665
+C      3.52095500      0.98904260     -0.00182117
+N      3.86838890      1.97762374     -1.02678377
+C      3.15741253      2.44754469      0.19257809
+C      3.91097880      3.31286340      1.11741284
+C      3.34900592      4.22912085      1.91743800
+H      0.97266402     -1.00951280     -1.32904300
+H      1.95633439      0.28010315     -2.23028347
+H      2.23535234     -0.61550952      0.71929469
+H      4.38880202      0.63850738      0.56821106
+H      3.19618402      1.92579463     -1.80013441
+H      2.08800583      2.66393975      0.09708313
+H      4.99544230      3.16260402      1.12456236
+H      2.27009096      4.40167958      1.91646329
+H      3.94799878      4.83581647      2.59648113 
+
+14
+-1489.6593323324892 12.357798 13.11884 -9.1348 -7.071 -9.241 1.0932 -0.5549 1.014 8.91371 -0.43547 4.352342551 6.317520651 0.40872296
+C      1.69070340     -0.22372039     -1.26432866
+C      2.23970713      0.16188714     -0.10512265
+C      3.37075499      1.10697620      0.04958234
+N      3.92267625      1.89001539     -1.05967629
+C      3.12101013      2.60023365     -0.02299662
+C      3.80069574      3.52551625      0.83888595
+C      4.34317154      4.30591759      1.59489840
+H      0.84789330     -0.91440581     -1.28689419
+H      2.06245123      0.12121334     -2.23235693
+H      1.84996326     -0.24501740      0.83397572
+H      4.13189727      0.80387910      0.77585274
+H      3.33057215      1.77467383     -1.89054624
+H      2.09727137      2.87870955     -0.29185386
+H      4.83461224      4.99563155      2.24997029 
+
+12
+-1332.2074372387992 12.000294 12.94009 -9.3484 -7.2472 -9.386 1.4068 -0.2179 1.727 9.13364 -1.45428 4.3287356166 8.236080015 0.346230135
+C      1.00398213     -0.03078356     -0.12999866
+C      2.21495878      0.02128802     -0.04209977
+C      3.64556937      0.05104554      0.05390340
+N      4.48366148     -0.68395898     -0.92478516
+C      4.44223546      0.79890562     -0.99753975
+C      5.63327846      1.52034959     -0.64740752
+C      6.61941519      2.16200382     -0.34818560
+H     -0.06361392     -0.07154930     -0.20362957
+H      4.05890278      0.04218602      1.06580846
+H      3.87061212     -1.05800313     -1.65899719
+H      3.84087214      1.24856559     -1.79303845
+H      7.49783600      2.71600076     -0.08706019 
+
+20
+-1939.3286685496207 12.442053 13.99795 -8.8646 -6.8126 -10.446 0.8644 -0.036 2.876 9.9011 -2.57354 8.2209785202 11.1641705868 0.240312109
+C      2.86728969     -1.00453576     -0.45548968
+C      2.34356572      0.23333278      0.28305939
+C      3.37995773      1.33201891      0.36424214
+N      3.64655305      2.23524592     -0.79122841
+C      3.08038642      2.79300225      0.47127076
+C      1.65568645      3.30913102      0.47738977
+C      4.05518620      3.67131586      1.23195046
+H      2.10127839     -1.79103068     -0.50810792
+H      3.74658689     -1.42615134      0.05445446
+H      3.17022582     -0.75559740     -1.48332945
+H      2.04099945     -0.04997887      1.30654816
+H      1.43327858      0.60139027     -0.21671224
+H      4.31118404      1.00505415      0.84596328
+H      2.87850626      2.11857056     -1.46520873
+H      0.96115072      2.64743768     -0.05626053
+H      1.61100968      4.30024864     -0.00157990
+H      1.28543630      3.42537133      1.50829807
+H      5.07634931      3.27749218      1.14707966
+H      3.78646029      3.72722146      2.29817371
+H      4.05267901      4.69481105      0.82559699 
+
+18
+-1793.9276287214982 12.687062 13.79937 -8.8951 -6.8695 -9.336 1.2353 -0.0237 1.224 8.84188 -0.64321 6.466303851 6.466303851 0.52160361
+C      1.54944328     -0.40114426      1.13428620
+C      2.10474948      0.25264823     -0.13520849
+C      3.28683920      1.15671307      0.13734252
+N      3.73154626      2.15659020     -0.84641225
+C      3.07668870      2.61501362      0.41776176
+C      3.92286759      3.36841189      1.36285224
+C      3.46813931      4.30796376      2.20306649
+H      0.70416806     -1.06420001      0.90241195
+H      1.20106381      0.35686640      1.85089116
+H      2.31890470     -1.00568874      1.63770807
+H      1.31265015      0.83883097     -0.63376510
+H      2.41112283     -0.52848881     -0.85240721
+H      4.12430391      0.67168189      0.65383480
+H      3.04395624      2.20916781     -1.60751427
+H      2.03726741      2.95689208      0.34787855
+H      4.98764351      3.11214091      1.34693144
+H      2.41181868      4.58882922      2.22955439
+H      4.13420689      4.82422179      2.89446775 
+
+16
+-1634.9215229495185 12.207184 13.6856 -9.2569 -7.1672 -9.602 0.88 -0.132 2.157 9.22384 -1.74768 4.3550206486 10.5697569056 0.458648042
+C      3.00691915     -1.20199057     -0.52156111
+C      2.45439258      0.04363931      0.17980642
+C      3.47286906      1.15593690      0.28136051
+N      3.77522617      2.02597541     -0.86948295
+C      3.03805512      2.59120670      0.30486118
+C      3.70718684      3.58587343      1.09730330
+C      4.24496796      4.42102160      1.79615955
+H      2.24665997     -1.99322136     -0.57915846
+H      3.87375040     -1.60852484      0.01990980
+H      3.33455839     -0.97249166     -1.54610152
+H      2.11514437     -0.22067154      1.19573418
+H      1.56431726      0.41673217     -0.35680544
+H      4.36881667      0.91758400      0.86520646
+H      3.08794774      1.84897824     -1.61323139
+H      1.96230891      2.75646446      0.18181025
+H      4.73053939      5.15932776      2.40057922 
+
+19
+-1811.3802056015436 12.019495 13.64133 -9.1038 -6.8485 -10.511 0.9523 0.0343 2.969 10.11208 -2.70233 8.5171438784 11.3662553682 0.228992995
+C      2.75741618     -0.99169182     -0.75252811
+C      2.23350672      0.15027704      0.12521394
+C      3.26560910      1.22781445      0.37233569
+N      3.56743407      2.24048933     -0.67138937
+C      2.86979375      2.64425971      0.58075718
+C      3.64591585      3.58391762      1.46986279
+N      3.54644853      4.95307952      0.94186248
+H      1.98699791     -1.75969579     -0.90921930
+H      3.62728589     -1.47949837     -0.28761819
+H      3.07398263     -0.62377752     -1.73964962
+H      1.90106306     -0.25306697      1.09742654
+H      1.34154237      0.60585760     -0.33921520
+H      4.17133830      0.88052203      0.88512617
+H      2.87603138      2.15068647     -1.42529862
+H      1.80143668      2.87414639      0.49878426
+H      4.68321238      3.20215227      1.55397935
+H      3.20606540      3.57110867      2.48127730
+H      4.00662611      4.97777335      0.02688362
+H      4.06464369      5.59838600      1.54208910 
+
+13
+-1399.2095666233843 11.007941 11.83989 -9.8765 -7.8325 -9.86 0.7913 -0.9575 0.686 9.39108 -0.14761 5.3265253502 6.4835503036 0.489332329
+C      1.77028115     -0.26760320     -1.30149074
+C      2.22212486      0.16912419     -0.11977968
+C      3.32491187      1.14230859      0.07555146
+N      3.89590843      1.94023103     -1.01119419
+C      3.03436728      2.62434576     -0.01584882
+C      3.67266248      3.56423889      0.87207437
+N      4.15598829      4.31979576      1.61934073
+H      0.94734323     -0.97955910     -1.36098929
+H      2.20523371      0.05320844     -2.25113348
+H      1.77731725     -0.21282332      0.80478170
+H      4.06658401      0.86008704      0.83006949
+H      3.34660812      1.81311056     -1.86902784
+H      2.01616932      2.89668536     -0.30608371 
+
+11
+-1240.9671272881126 10.689783 11.6539 -10.1273 -7.9686 -10.054 1.1324 -0.6808 1.026 9.72741 -0.69106 4.349490873 10.3966848482 0.214360646
+C      1.01083101     -0.01229135     -0.12999162
+C      2.22129932      0.03147194     -0.04350394
+C      3.65213999      0.04308773      0.05533523
+N      4.48575108     -0.68641720     -0.92787938
+C      4.44879666      0.78971784     -0.99455682
+C      5.65439929      1.49215570     -0.62887097
+N      6.60853860      2.09167052     -0.32526570
+H     -0.05753206     -0.04334808     -0.20207693
+H      4.06566653      0.02474373      1.06707341
+H      3.88048794     -1.05854863     -1.66907996
+H      3.86703164      1.27085781     -1.78457334 
+
+15
+-1545.0284077048354 10.954945 12.40327 -10.1275 -8.0304 -11.152 0.6966 -0.4202 1.281 10.8239 -0.90055 5.336543419 11.0794385544 0.285441407
+C      3.11230567     -1.18652585     -0.48091670
+C      2.46941042      0.04111341      0.17320952
+C      3.42324054      1.20889338      0.27576679
+N      3.70028252      2.08282316     -0.87632936
+C      2.89949427      2.61472256      0.26060760
+C      3.50571269      3.65420035      1.05596114
+N      3.96849242      4.48640333      1.73129469
+H      2.39875740     -2.01963907     -0.53712035
+H      3.98425384     -1.53002958      0.09437757
+H      3.45429101     -0.96482583     -1.50220463
+H      2.11805708     -0.21609689      1.18632010
+H      1.57609048      0.35158107     -0.39630614
+H      4.31625371      1.03544598      0.88551376
+H      3.05097466      1.86201377     -1.64155481
+H      1.82027330      2.73351021      0.12837079 
+
+20
+-1936.7392251910078 12.348179 13.83332 -8.4486 -6.3764 -10.079 0.9194 0.0185 2.988 9.44596 -2.72215 8.1778561894 9.8413019598 0.116307529
+C      2.28751409     -0.45389015     -1.58922087
+C      2.42566606      0.03970752     -0.14571840
+C      3.31553380      1.26313769     -0.00653321
+N      2.83289189      2.53795711     -0.65728419
+C      3.20960371      3.28744368      0.59042796
+C      3.41359933      1.96806381      1.37475657
+C      4.66049299      1.78644609      2.22578829
+H      1.61685510     -1.32237662     -1.65189882
+H      3.26392158     -0.75191927     -1.99944634
+H      1.88381811      0.33205378     -2.24387594
+H      2.84114725     -0.76434164      0.48702290
+H      1.42899994      0.27519672      0.27087293
+H      4.32277460      1.03106824     -0.40541745
+H      1.80969674      2.49799690     -0.72152635
+H      4.15133151      3.84072814      0.43149097
+H      2.45254865      3.99135720      0.96699958
+H      2.51040654      1.73599357      1.96611440
+H      5.56893743      2.01828320      1.64775696
+H      4.75068641      0.75310490      2.59467246
+H      4.64535427      2.44813914      3.10546854 
+
+20
+-1942.3454449189746 12.423473 13.86775 -8.9759 -6.8584 -10.181 0.8534 -0.085 3.037 9.61467 -2.68108 8.1702310504 11.689462073 0.146907173
+C      2.66655348     -1.26476038     -0.43731133
+C      2.22976048      0.04208352      0.23156825
+C      3.31927553      1.11028332      0.27753788
+N      4.52467261      0.81795697      1.03528279
+C      3.53467647      1.95524775     -0.96171071
+C      2.87675164      2.56659575      0.26074103
+C      3.58422187      3.63372338      1.06346319
+H      1.84530974     -1.99533356     -0.45485992
+H      3.50715856     -1.73290671      0.09740981
+H      2.98501669     -1.09052265     -1.47639399
+H      1.89283371     -0.16395468      1.26406919
+H      1.35308680      0.44891805     -0.29963526
+H      4.27955581      0.53942215      1.99049112
+H      5.02026298      0.02637830      0.61715554
+H      2.92300603      1.75043900     -1.84207034
+H      4.56122395      2.26184325     -1.16915788
+H      1.79322340      2.69858965      0.18080567
+H      4.64943290      3.39140473      1.17197134
+H      3.15366483      3.72577613      2.07313851
+H      3.49613250      4.61552599      0.57326510 
+
+19
+-1811.1617582818194 11.96319 13.17084 -8.515 -6.3967 -9.974 0.8716 -0.0539 2.957 9.51067 -2.65704 8.0171083404 11.7226407266 0.074262223
+C      2.34708014     -0.49087250     -1.58705732
+C      2.46696824      0.01218219     -0.14480661
+C      3.32331231      1.25853656     -0.00548398
+N      2.80898596      2.52349712     -0.64605049
+C      3.22592676      3.28968316      0.57954207
+C      3.41693681      1.98125520      1.37676066
+N      4.56656863      1.89623182      2.26008774
+H      1.70488449     -1.38087737     -1.64830193
+H      3.33420137     -0.75882137     -1.99285255
+H      1.92114622      0.28045301     -2.24459662
+H      2.90046649     -0.77979965      0.49139169
+H      1.46267632      0.22295199      0.26657422
+H      4.33894657      1.05773580     -0.40174587
+H      1.78414403      2.47576956     -0.66598631
+H      4.18169555      3.80979469      0.39687811
+H      2.49863307      4.02114591      0.95949438
+H      2.51253545      1.75859296      1.96901921
+H      5.43507312      1.96547006      1.72248444
+H      4.58995846      1.00178085      2.75388917 
+
+19
+-1815.444814436829 12.006224 13.11853 -8.3288 -6.2089 -9.666 0.7803 -0.1885 2.958 9.29529 -2.59553 7.7907471002 12.791263662 0.152419494
+C      2.68078924     -1.25920435     -0.45810029
+C      2.22109052      0.03285863      0.22574803
+C      3.28582414      1.11969898      0.27828919
+N      4.47989293      0.88458865      1.07101746
+C      3.52279675      1.95992459     -0.96789367
+C      2.84776063      2.58714863      0.22347501
+N      3.52468480      3.64351801      0.94358566
+H      1.87359057     -2.00510527     -0.48658545
+H      3.53010761     -1.71664975      0.07208219
+H      2.99753863     -1.06580665     -1.49434752
+H      1.88898018     -0.19002229      1.25666608
+H      1.33492787      0.42880629     -0.29904997
+H      4.22306544      0.56719497      2.01073037
+H      5.05127908      0.14542004      0.65398394
+H      2.93217612      1.74751932     -1.86070396
+H      4.55181985      2.27021603     -1.16028268
+H      1.77147080      2.75835666      0.13294318
+H      4.47764624      3.31820471      1.14376301
+H      3.07820860      3.76432280      1.85820941 
+
+16
+-1665.9208407693823 11.833298 12.27394 -8.889 -6.8115 -9.023 1.0134 -0.1187 1.334 9.04796 -0.7463 6.0893492152 6.7438589106 0.381463595
+C      0.84873949      0.48803718     -0.07842952
+C      2.13388674      0.21356894      0.16796155
+C      3.30211941      1.16907013      0.01522128
+N      4.01370896      1.32988687      1.32213839
+C      3.63268324      2.66612757      1.84355860
+C      3.08615158      3.41533198      0.65073394
+C      2.91146156      2.57980960     -0.37978032
+H      0.07328927     -0.26588224      0.06439387
+H      0.52553649      1.47337739     -0.42115653
+H      2.42022408     -0.77994376      0.52825396
+H      4.00036860      0.71595105     -0.71280389
+H      5.01482539      1.35585584      1.12082791
+H      4.49890811      3.15804980      2.31279996
+H      2.85757865      2.57300472      2.62764729
+H      2.82734090      4.47482245      0.66887163
+H      2.49470753      2.83978248     -1.35272813 
+
+14
+-1508.1583773216003 11.507095 12.19957 -8.998 -6.9253 -8.967 0.8531 -0.1616 1.144 8.54581 -0.54425 4.3555165926 10.788765776 0.335911152
+C      0.93102419      0.05277892     -0.10633299
+C      2.14158963     -0.00501983     -0.03596969
+C      3.61125623     -0.02383344      0.03560945
+N      4.14261104     -1.25455988      0.69102380
+C      4.67996424     -0.85840446      2.01561616
+C      4.72104948      0.64813374      1.99383763
+C      4.13263802      1.12369176      0.89272490
+H     -0.13817253      0.08362000     -0.15599938
+H      3.99194527      0.03895918     -1.00016784
+H      4.90796207     -1.60659460      0.11709605
+H      5.66751478     -1.31650915      2.18702102
+H      4.02108893     -1.21399540      2.83065519
+H      5.12872068      1.24897357      2.80742351
+H      3.96321797      2.16888960      0.63785217 
+
+20
+-1941.96444058833 12.272104 13.46797 -8.8687 -6.7765 -10.257 0.8872 -0.0726 2.953 9.66411 -2.64453 8.2119771366 9.8403224704 0.113880614
+C      1.94839093     -0.56941365     -1.38904330
+C      2.38280775     -0.00195464     -0.03461544
+C      3.21192720      1.28091363     -0.12531158
+N      4.47303786      1.00242169     -0.83030829
+C      2.44309409      2.57729708     -0.58795720
+C      3.10649652      3.35947899      0.57783060
+C      3.50900729      2.00598229      1.22358051
+H      1.29994338     -1.44742983     -1.25812428
+H      2.81084209     -0.89470353     -1.98981924
+H      1.38386980      0.17318416     -1.97458507
+H      2.97669460     -0.75288965      0.51242640
+H      1.48908999      0.21003383      0.57524712
+H      5.06518325      1.83768268     -0.82315226
+H      4.28132524      0.80692998     -1.81749298
+H      1.35412536      2.48365235     -0.45500557
+H      2.64418888      2.92590802     -1.61153131
+H      3.97622089      3.94830152      0.25235898
+H      2.45398023      4.01688894      1.16782601
+H      4.53623723      1.89907699      1.60069255
+H      2.81026741      1.69492914      2.01371434 
+
+18
+-1812.4329867515416 12.088118 12.90856 -8.5132 -6.3758 -8.835 0.9618 -0.026 1.432 8.4342 -0.80057 5.9870855624 5.9870855624 0.25679703
+C      2.33898143     -0.42013798     -1.59188232
+C      2.46346833      0.12617691     -0.16877113
+C      3.48937941      1.27026256     -0.02374294
+N      3.62249563      1.70422837      1.39745787
+C      3.15357174      3.10698813      1.51124107
+C      2.88826181      3.54237572      0.09472640
+C      3.08825143      2.53060935     -0.75709694
+H      1.65073752     -1.27650982     -1.62658286
+H      3.31297961     -0.76408537     -1.97510932
+H      1.95442659      0.33686204     -2.29147271
+H      2.76993216     -0.67744114      0.51929008
+H      1.48764453      0.49075206      0.19199381
+H      4.46173431      0.89108275     -0.39597686
+H      4.60321319      1.65834334      1.66812913
+H      3.90323468      3.74229114      2.01435619
+H      2.23178111      3.17344434      2.12166838
+H      2.54013764      4.54217515     -0.16766716
+H      2.94145887      2.57246245     -1.83635068 
+
+15
+-1561.2443364882479 11.836456 12.05265 -8.393 -6.4866 -8.987 0.5333 -1.1421 -0.091 8.33194 0.5714 4.8022629478 5.2195998238 0.32083937
+C      0.93046221      0.08084102      0.05398280
+C      2.23722146      0.17213557     -0.23947912
+C      3.03971723      1.39104771     -0.15352603
+N      4.33046144      1.37245496     -0.28767277
+C      4.78111640      2.75847521     -0.07658390
+C      3.50871369      3.63583635     -0.17168204
+N      2.46444197      2.63890594      0.13479675
+H      0.40002851     -0.86714088     -0.03412987
+H      0.35355630      0.93457767      0.41498608
+H      2.80298492     -0.70365725     -0.56308616
+H      5.23812439      2.82800002      0.92665935
+H      5.55403449      3.03349567     -0.80809599
+H      3.38039137      4.05002142     -1.18789623
+H      3.49753704      4.46328293      0.55065391
+H      1.54342856      2.80820366     -0.26609678 
+
+13
+-1399.5734251959498 11.314764 11.87224 -8.6001 -6.662 -9.165 0.711 -0.9956 0.148 8.52637 0.37686 4.1273575554 6.913025409 0.204306499
+C      1.07609284      0.09149176      0.07489889
+C      2.28621056     -0.00213450      0.05112958
+C      3.71246476     -0.05113994      0.00492649
+N      4.39495810     -1.14038581     -0.15653976
+C      5.81000695     -0.72499669     -0.09767076
+C      5.81272921      0.81576031     -0.25555822
+N      4.44341229      1.13394202      0.18934337
+H      0.00686695      0.14663121      0.10116142
+H      6.21691286     -1.02611386      0.88380349
+H      6.39623658     -1.24037766     -0.87061512
+H      5.97158641      1.11460055     -1.30729241
+H      6.56242487      1.31397265      0.37335128
+H      4.01296763      1.99160995     -0.15160823 
+
+17
+-1704.699129906725 11.396121 12.4268 -8.3708 -6.3565 -9.192 0.8053 -0.1787 1.102 8.54985 -0.42472 5.2020310076 11.191100346 0.129517416
+C      2.75076561     -0.53991796      1.42567035
+C      2.55038819      0.08378151      0.03550564
+C      3.09435774      1.47917063     -0.06436881
+N      4.16698575      1.79029178     -0.71193111
+C      4.38549148      3.23090004     -0.47609208
+C      3.05805950      3.76855822      0.11625783
+N      2.47625310      2.52150071      0.64498878
+H      2.33762660     -1.55768284      1.45487528
+H      2.25793230      0.05223162      2.20922946
+H      3.82047307     -0.59761802      1.67045600
+H      1.47575322      0.09027937     -0.21663294
+H      3.06257909     -0.51411517     -0.72946969
+H      5.21609296      3.34869642      0.24237503
+H      4.67906127      3.74040375     -1.40465920
+H      2.41581705      4.20922975     -0.66783176
+H      3.20698038      4.51409409      0.90934668
+H      1.46177272      2.47906610      0.72891055 
+
+13
+-1443.1678967444645 12.07643 11.53152 -8.1484 -6.2881 -7.971 0.4538 -1.1058 -0.167 7.5029 0.73293 4.0057768838 6.3663215406 0.404255734
+C      3.02633433     -1.22081038      0.35942387
+C      2.45295124     -0.02494250      0.13204650
+C      3.11242459      1.26155967      0.04882340
+N      2.48405420      2.41819236     -0.17992476
+C      3.45944245      3.38279076     -0.18191087
+C      4.70171800      2.82318267      0.04670777
+N      4.46797373      1.47346323      0.19200755
+H      2.42564777     -2.12822945      0.40075843
+H      4.10098684     -1.34617722      0.51148081
+H      1.37269327      0.04424827     -0.01353831
+H      3.22475572      4.43070734     -0.34708635
+H      5.69730361      3.24774801      0.11701106
+H      5.17171426      0.76471725      0.37238090 
+
+11
+-1282.9180203446479 11.528151 11.32464 -8.4479 -6.562 -8.099 0.7564 -0.8567 0.051 7.69116 0.54044 4.0274620352 6.5470435342 0.292862846
+C      0.95912301     -0.01100734      0.00241873
+C      2.17405150      0.04362676     -0.00091773
+C      3.58668026      0.06796930     -0.00438036
+N      4.37444414      1.14600183     -0.00908411
+C      5.65667272      0.66093383     -0.01060668
+C      5.66556574     -0.72204009     -0.00685815
+N      4.34163117     -1.09040589     -0.00290197
+H     -0.11112448     -0.03937283      0.00533454
+H      6.51356926      1.32879414     -0.01431148
+H      6.46885128     -1.45057010     -0.00647507
+H      3.97159541     -2.03620962      0.00037228 
+
+15
+-1585.2516989175085 11.222343 11.87978 -8.3155 -6.3689 -8.138 0.6883 -0.2587 0.919 7.71317 -0.21237 4.7009043928 6.7978052192 0.268941312
+C      2.33993972     -0.53499436     -1.42576067
+C      2.54447657      0.00997493     -0.00161906
+C      3.01560752      1.42966874      0.02577398
+N      2.24241863      2.50786759      0.02270755
+C      3.10068749      3.58824407     -0.00569486
+C      4.41238384      3.17004265     -0.01965830
+N      4.34461539      1.78784256     -0.00040583
+H      1.97653896     -1.57209707     -1.39732493
+H      3.27714350     -0.51907824     -2.00092814
+H      1.60289608      0.07500639     -1.96526638
+H      3.25401271     -0.62991789      0.54807261
+H      1.59269552     -0.02647577      0.54704483
+H      2.72871913      4.60907812     -0.00813914
+H      5.35674540      3.70278984     -0.03046074
+H      5.13721954      1.15346844      0.00409909 
+
+19
+-1811.3812833159286 11.835701 12.79747 -8.7802 -6.6238 -10.226 0.858 -0.0947 3.002 9.66163 -2.67793 8.1245298108 10.3098822496 0.117063849
+C      1.86411097     -0.57202227     -1.28222708
+C      2.38752345      0.06347038      0.00893846
+C      3.32141340      1.26335631     -0.19575800
+N      4.52509285      0.85428112     -0.90359655
+C      2.54147880      2.56378191     -0.61481985
+N      2.44933042      2.92658886      0.82385889
+C      3.58583344      2.01820138      1.13713793
+H      1.13825749     -1.36571196     -1.05565604
+H      2.66741905     -1.03740456     -1.87333773
+H      1.35377499      0.16501800     -1.92140712
+H      2.93352557     -0.69029374      0.59969822
+H      1.54022183      0.40702784      0.62213293
+H      5.10323525      1.66864998     -1.12358709
+H      4.28885146      0.41200912     -1.79493905
+H      1.56931151      2.45518546     -1.12380202
+H      3.19178198      3.22900874     -1.21574288
+H      2.62196491      3.91239379      1.02931385
+H      4.58070572      2.50328017      1.12061703
+H      3.48046690      1.44641948      2.07352609 
+
+15
+-1546.752376859372 12.580027 12.00771 -7.7915 -5.9343 -8.403 0.5619 -1.0144 -0.211 7.90705 0.71804 4.461388238 4.461388238 0.408190945
+C      0.92030830      0.01233169     -0.16208955
+C      2.26376907      0.13581729     -0.18197329
+C      2.98226829      1.38164758     -0.07306545
+N      4.28873157      1.40858119     -0.04909365
+N      4.70681432      2.70399893      0.17562104
+C      3.60734616      3.64611388     -0.14260693
+C      2.37527881      2.76369353      0.10904491
+H      0.44405474     -0.96350374     -0.25103777
+H      0.26186326      0.87631682     -0.05317660
+H      2.89558026     -0.75091586     -0.28399668
+H      5.60817507      2.87818231     -0.26756563
+H      3.65249338      3.96532961     -1.20017541
+H      3.65649722      4.53434856      0.50027396
+H      1.54679483      2.96971442     -0.58092011
+H      1.99404472      2.87363380      1.13898118 
+
+13
+-1407.1053214708886 11.530383 11.17454 -9.1775 -7.2475 -9.023 -0.423 -2.0761 -0.537 8.57576 1.12032 4.542475082 11.2490390038 0.406229876
+C      2.80002522     -1.21987305      0.35463388
+C      2.30406200      0.00894967      0.12162100
+C      3.09299685      1.22204742      0.02844045
+N      2.52238707      2.37787783     -0.20225118
+N      3.53121875      3.39640290     -0.24351236
+C      4.68268375      2.83995628     -0.03813646
+C      4.58317023      1.36418579      0.16743798
+H      2.14494630     -2.08890839      0.41159421
+H      3.86828527     -1.39752054      0.49486565
+H      1.22989422      0.15774920     -0.01515914
+H      5.59893288      3.43253191     -0.02673001
+H      5.14471918      0.79202768     -0.58874176
+H      4.95819828      1.04708330      1.15396774 
+
+13
+-1385.7388445676686 11.962349 11.85033 -8.0371 -6.1753 -8.554 0.6275 -1.0297 0.011 8.0917 0.5304 3.934571724 11.0947508254 0.475810932
+C      1.03882414     -0.02837733     -0.00088206
+C      2.25651389     -0.06766069      0.00987153
+C      3.66480714      0.00190814      0.00598042
+N      4.43242995     -1.05571702      0.03999034
+N      5.74182128     -0.64210299      0.13568205
+C      5.85983858      0.77414801     -0.28639227
+C      4.46010408      1.30207430      0.05804204
+H     -0.03164138     -0.02597286     -0.00334756
+H      6.36941708     -1.31506743     -0.30233816
+H      6.05401441      0.84890716     -1.37229957
+H      6.66870504      1.27694407      0.25869444
+H      4.08939301      2.06273541     -0.63920658
+H      4.41610278      1.72115122      1.07762538 
+
+11
+-1245.841516632591 11.119582 11.01211 -9.5888 -7.559 -9.218 -0.5398 -2.1884 -0.423 8.82854 1.02178 3.892292498 8.6496105208 0.287713749
+C      0.95370833      0.09254473     -0.00043678
+C      2.16997916      0.08528849      0.00023954
+C      3.58071600      0.01179384      0.00077614
+N      4.35751685      1.06785205     -0.00718813
+N      5.71987786      0.62433548     -0.00397921
+C      5.73773994     -0.67121731      0.00577616
+C      4.37203345     -1.26685113      0.01033881
+H     -0.11696225      0.12012739     -0.00117913
+H      6.68095986     -1.21977584      0.00981175
+H      4.16797938     -1.89879938     -0.86920675
+H      4.16807141     -1.88556832      0.89925759 
+
+17
+-1686.9361454631962 11.62601 12.38355 -8.0919 -6.0756 -8.866 0.9246 -0.077 0.943 8.38117 -0.26156 5.195447351 11.0210659456 0.255286909
+C      2.51328867     -0.53205667      1.40656000
+C      2.61762012      0.06015087     -0.00945126
+C      3.06888925      1.48645941     -0.02509584
+N      4.21384893      1.84339890     -0.50978280
+N      4.40982314      3.21058874     -0.25968220
+C      3.08480265      3.82827367     -0.00503212
+C      2.31961538      2.64807835      0.60800273
+H      2.17848373     -1.57814796      1.36520928
+H      1.79425721      0.02271598      2.02722395
+H      3.48883147     -0.50554403      1.91278100
+H      1.63181248     -0.01294486     -0.50224562
+H      3.32669921     -0.52500540     -0.61256095
+H      4.93015745      3.62006012     -1.03634310
+H      2.60143803      4.15063627     -0.94728419
+H      3.17900283      4.69437095      0.66290714
+H      1.24422727      2.65431495      0.38297195
+H      2.43198218      2.61802071      1.70712203 
+
+15
+-1549.2344486992267 10.915126 11.56833 -9.7301 -7.6645 -9.562 0.4221 -1.2791 0.25 9.16424 0.34867 4.8833993862 10.986957397 0.202962657
+C      2.44620773     -0.56728236     -1.39534141
+C      2.36788195      0.07089189      0.00131442
+C      2.99234336      1.42883652      0.07205572
+N      2.30350571      2.49541155      0.34599287
+N      3.18738886      3.64095108      0.33452752
+C      4.38077470      3.22751907      0.05706425
+C      4.44312093      1.75153081     -0.15695192
+H      1.94811050     -1.54640555     -1.39667418
+H      3.48662709     -0.72355130     -1.71565800
+H      1.94987078      0.06689919     -2.14333912
+H      2.86402993     -0.59095118      0.73202650
+H      1.31997541      0.17497735      0.31597671
+H      5.21707857      3.92600494     -0.00568472
+H      4.79315335      1.48247499     -1.16737715
+H      5.11262115      1.23950299      0.55442851 
+
+20
+-1939.0964396010734 12.551255 14.22083 -8.6583 -6.4772 -9.948 0.9464 0.0456 3.057 9.48753 -2.74139 8.1079776798 11.764535596 0.180043656
+C      0.98731837     -0.24371787     -0.40717638
+C      2.49820385     -0.11921490     -0.61297661
+C      3.18576375      0.72906834      0.46419381
+C      4.67969160      0.86686218      0.26332004
+C      5.59092998      1.20556829      1.43062042
+C      5.64738736     -0.16643928      0.81831441
+N      6.85754924     -0.60267893      0.15064801
+H      0.52070359     -0.84776849     -1.19858709
+H      0.50229838      0.74476684     -0.41209370
+H      0.75472651     -0.72067961      0.55747412
+H      2.70046506      0.32319783     -1.60387175
+H      2.95610728     -1.12300806     -0.62782951
+H      2.99396814      0.28363959      1.45735213
+H      2.72064384      1.73197657      0.48993985
+H      4.97861540      1.30304803     -0.69639391
+H      5.14461816      1.31677596      2.42057553
+H      6.43320718      1.87527300      1.24357932
+H      5.18744563     -0.96505023      1.41036003
+H      7.39002890      0.20464271     -0.18084325
+H      6.62545778     -1.15996198     -0.67622547 
+
+18
+-1797.8538337930686 12.932464 13.97966 -8.1403 -6.0983 -8.699 0.9627 0.0164 1.342 8.28911 -0.69933 5.9779105984 5.9779105984 0.388558342
+C      0.98623419      0.25382615     -1.04182635
+C      2.47840082      0.25165141     -0.90036525
+C      3.17207064      1.07605079     -0.09735811
+C      4.64229102      1.16521626      0.03531451
+C      5.60256468      0.34320752     -0.80596609
+C      5.49909389      1.81100167     -1.07756867
+N      6.63189577      2.67120434     -0.84456730
+H      0.68096006      0.44727393     -2.08321072
+H      0.52234181      1.02132494     -0.40575443
+H      0.55577090     -0.72337482     -0.76812012
+H      3.01845289     -0.48876807     -1.50134492
+H      2.60707098      1.79553068      0.50949859
+H      5.00022546      1.40030820      1.04241254
+H      5.19971501     -0.35416000     -1.54083212
+H      6.50839916     -0.01216620     -0.30981319
+H      4.92703223      2.08886445     -1.96744298
+H      7.22505410      2.29910028     -0.09983053
+H      6.32604639      3.60205848     -0.54975484 
+
+18
+-1797.2167845147696 12.463777 13.54121 -8.6441 -6.5158 -9.035 0.9649 -0.1132 1.379 8.43059 -0.72318 6.2430298622 6.2430298622 0.379658362
+C      2.58475464     -0.89131460     -1.31097314
+C      2.34486457      0.16191238     -0.25904386
+C      1.28666878      0.11062533      0.56689001
+C      3.36247229      1.25475043     -0.22416995
+C      3.15752665      2.52721392     -1.05197922
+C      3.15521479      2.59926525      0.44699682
+N      4.20575279      3.32584624      1.13164152
+H      3.55566815     -1.38786895     -1.15078872
+H      2.62625186     -0.43910969     -2.31474580
+H      1.80064902     -1.65986927     -1.30523482
+H      0.55145326     -0.69244927      0.49012974
+H      1.12017139      0.86141751      1.34052208
+H      4.39997904      0.90043827     -0.22500381
+H      2.20505680      2.64178054     -1.57125180
+H      4.02102392      2.93285263     -1.58379728
+H      2.17609983      2.76034740      0.90454692
+H      5.05696020      3.33707051      0.56523785
+H      4.44480204      2.85674139      2.00936345 
+
+20
+-1939.7609596524348 12.48537 13.94694 -8.6391 -6.4863 -9.912 0.9005 0.0012 2.958 9.45761 -2.60946 8.0713522154 11.5803791902 0.186676968
+C      1.16539350      0.15522861      0.22083382
+C      2.64659261     -0.04289452     -0.13008895
+C      2.80971831     -0.80666355     -1.45144066
+C      3.38570039      1.28461758     -0.17116722
+C      3.85971814      1.94261039      1.11336587
+C      4.86670807      1.37339159      0.15160940
+N      5.80371760      2.25979036     -0.51016893
+H      1.05060696      0.69142491      1.17405582
+H      0.64102588     -0.80860646      0.30495672
+H      0.65657360      0.74495155     -0.55873126
+H      3.10727581     -0.64886094      0.67327659
+H      2.36792419     -0.23909135     -2.28641993
+H      2.30821433     -1.78528303     -1.41263216
+H      3.87089079     -0.97716209     -1.68506973
+H      3.03838328      1.97592930     -0.94887670
+H      3.68842140      1.41890085      2.05611582
+H      3.79506419      3.03036230      1.18972522
+H      5.33491715      0.43279918      0.46127103
+H      5.40725928      3.19914614     -0.58618104
+H      5.97893453      1.93912917     -1.46655373 
+
+16
+-1646.0142156549225 12.764453 14.40031 -8.3279 -6.2111 -8.769 0.8734 -0.0308 2.345 8.43661 -1.86591 4.0794617636 9.7988739506 0.237091332
+C      0.94974349     -0.00741912     -0.01477381
+C      2.40489394     -0.00010171      0.01812214
+C      3.62315286     -0.00719244      0.05331615
+C      5.05552445      0.00100377      0.06960728
+C      5.85352173     -0.69707842     -1.03691977
+C      5.85681661      0.79480026     -0.98598311
+N      7.07579109      1.50454542     -0.69374333
+H      0.53904769      1.01232633     -0.07544065
+H      0.53536957     -0.48016532      0.88883423
+H      0.57477848     -0.57035833     -0.88324159
+H      5.52009859     -0.02878923      1.05975531
+H      5.28694567     -1.19198325     -1.82512093
+H      6.76135744     -1.21919683     -0.72790356
+H      5.23506209      1.30067811     -1.72877076
+H      7.70154608      0.93765749     -0.11763749
+H      6.87919022      2.36315329     -0.17307010 
+
+20
+-1937.2251588528393 12.429208 14.03338 -8.7316 -6.5834 -10.207 0.934 0.0233 3.091 9.49869 -2.80049 8.3712991466 10.2802123998 0.118983901
+C      1.20049519     -0.00025685     -0.66069819
+C      2.71210484      0.06706440     -0.88713682
+C      3.48117512      0.58889320      0.33040597
+C      4.98438420      0.65268095      0.10773838
+C      5.57815833      1.72379205     -0.84705864
+C      6.68182629      1.90673599      0.22000589
+N      5.77767797      1.26622770      1.21563661
+H      0.67611183     -0.37640195     -1.55103827
+H      0.78938811      0.99331170     -0.42518958
+H      0.95387496     -0.66725600      0.17965101
+H      2.92433372      0.71330835     -1.75630766
+H      3.08916424     -0.93562005     -1.15419875
+H      3.27761916     -0.05882358      1.20217465
+H      3.12784179      1.59766411      0.60478913
+H      5.36104468     -0.35206268     -0.17822153
+H      4.92416286      2.60438723     -0.92252895
+H      5.88581552      1.40374966     -1.84954988
+H      7.58276894      1.31259542     -0.02222006
+H      6.98883599      2.93252406      0.47595293
+H      6.23161626      0.59588630      1.84124375 
+
+18
+-1792.3859120784807 12.367724 13.43394 -8.7743 -6.6463 -9.517 0.9512 -0.0001 1.337 8.99158 -0.76268 6.6624249058 6.6624249058 0.449655513
+C      2.42269159      3.43340730     -0.51518413
+C      2.82223733      2.17218051     -0.71755027
+C      3.24016560      1.21308587      0.35739622
+C      4.69076196      0.75026204      0.20722744
+C      5.84362069      1.72961803      0.54775552
+C      6.51211968      0.52670721      1.25310139
+N      5.18294431     -0.14609962      1.29412148
+H      2.13735004      4.08196265     -1.34488013
+H      2.36054720      3.85673274      0.49075356
+H      2.86687663      1.79308198     -1.74605046
+H      2.59515833      0.31592107      0.32375397
+H      3.11365171      1.66260530      1.35485463
+H      4.84117865      0.32220109     -0.80526453
+H      5.52036576      2.50431371      1.25685838
+H      6.37883481      2.19632347     -0.28701292
+H      7.25106986      0.02865147      0.59877410
+H      6.96640359      0.69572013      2.24125507
+H      5.19467226     -1.14182498      1.05972066 
+
+16
+-1636.906745704752 11.851483 13.11108 -8.9536 -6.8226 -9.824 0.9063 -0.0301 2.305 9.47111 -1.92107 4.3676176262 10.5218735124 0.383974041
+C      3.49536769     -1.20116362     -2.38048555
+C      3.54739479     -0.67396078     -1.28768135
+C      3.63083049     -0.00726876      0.00491023
+C      4.39948714      1.31988284     -0.05871920
+C      3.75013282      2.53524268     -0.76611628
+C      4.24016335      3.36331936      0.44557059
+N      4.38588994      2.09346733      1.21272969
+H      3.43805488     -1.67650561     -3.33818225
+H      4.12345726     -0.67303881      0.73436287
+H      2.62072893      0.19409563      0.39860979
+H      5.41625119      1.13270197     -0.45475923
+H      2.65546220      2.45013597     -0.80218432
+H      4.13113483      2.80375865     -1.75738267
+H      5.19630103      3.87503955      0.23284700
+H      3.53996992      4.08478636      0.89301507
+H      5.23737355      2.01961724      1.77458562 
+
+18
+-1795.242397290237 12.53357 13.72311 -8.7797 -6.648 -8.905 0.9505 0.0294 1.511 8.38398 -0.85506 6.255155693 6.255155693 0.409915425
+C      0.87029566      1.62399301      1.25842275
+C      2.32909186      1.28749582      1.21902960
+C      3.15477609      1.55024733      0.19711861
+C      4.61292056      1.21451451      0.17296578
+C      5.66703037      2.33949907      0.42773928
+C      6.42529933      1.28077634      1.25895012
+N      5.16328995      0.49548647      1.35617506
+H      0.63966789      2.28375261      2.11062936
+H      0.25572729      0.71898636      1.39433203
+H      0.54034587      2.12533228      0.33721794
+H      2.75726888      0.79279102      2.09810017
+H      2.76871649      2.04796449     -0.70174954
+H      4.85594283      0.70839854     -0.78567960
+H      5.24854646      3.14025685      1.05094132
+H      6.17468196      2.76574373     -0.44546225
+H      7.21863846      0.78828672      0.66623909
+H      6.84342726      1.59153256      2.22860555
+H      5.26758279     -0.51427771      1.23153475 
+
+18
+-1795.1498630324013 12.387785 13.28303 -8.8316 -6.734 -9.144 0.9148 0.001 1.431 8.50645 -0.77275 6.3825761052 6.3825761052 0.428438677
+C      1.03800280      0.27855456      0.88657626
+C      2.37088121      0.02671868      0.23717593
+C      2.70864687     -1.16363288     -0.28551963
+C      3.34444025      1.17777359      0.18690189
+C      2.95190412      2.51747545     -0.50833194
+C      3.66469857      3.21490721      0.67189293
+N      3.52198463      1.95592938      1.45351663
+H      1.18114715      0.70918222      1.88849895
+H      0.45158685     -0.64571945      0.96630268
+H      0.44560651      1.01021275      0.31340658
+H      2.01793045     -2.00947868     -0.28161826
+H      3.68966627     -1.32486968     -0.73908572
+H      4.30461374      0.81553095     -0.23063174
+H      1.86799625      2.68902376     -0.49766337
+H      3.34341943      2.68203316     -1.51883735
+H      4.70958336      3.47600195      0.42057800
+H      3.17637557      4.09111377      1.12517420
+H      4.33982596      1.68628324      2.00610395 
+
+20
+-1938.3058702589908 12.336398 13.70725 -8.6847 -6.5905 -10.187 0.9268 0.0095 3.02 9.47789 -2.68696 8.3252631448 10.2813902668 0.164228272
+C      1.09137890      0.08425430      0.19805049
+C      2.60026752      0.00149307     -0.05850249
+C      2.91533498     -0.78425201     -1.33593821
+C      3.21570263      1.39813098     -0.11749038
+C      3.27401049      2.26527675      1.16872985
+C      4.70759152      2.63793094      0.72566270
+N      4.70884030      1.44711952     -0.16887741
+H      0.86629783      0.62308684      1.13060288
+H      0.64974243     -0.92000077      0.27702929
+H      0.57914740      0.60827827     -0.62541492
+H      3.07999636     -0.51738739      0.79138933
+H      2.46522953     -0.29921059     -2.21810371
+H      2.51718622     -1.80833253     -1.28059326
+H      4.00102069     -0.85419912     -1.49634233
+H      2.74055660      1.96943429     -0.94446993
+H      3.26538815      1.64533567      2.07653331
+H      2.54677117      3.07926997      1.26959207
+H      4.73000138      3.60588428      0.19135632
+H      5.50110228      2.63468128      1.48904527
+H      5.10459362      1.61045625     -1.09776887 
+
+20
+-1937.682549034469 12.191596 13.52344 -9.1399 -7.0424 -10.687 0.8806 -0.0186 2.792 10.07704 -2.43209 8.4381028034 11.3279560928 0.187931591
+C      0.80803303     -0.07242929     -0.02210225
+C      2.30248706     -0.21695711     -0.33766373
+C      2.53926366     -0.61704374     -1.79958816
+C      3.09670720      1.03550826      0.04652563
+C      2.79084696      2.31541177     -0.70710925
+C      3.58868696      1.15165485      1.44832175
+N      4.51802098      0.74391933      0.36396458
+H      0.64466021      0.21817921      1.02656234
+H      0.28266804     -1.02318847     -0.19477685
+H      0.32929038      0.68539567     -0.66183498
+H      2.71095000     -1.02406046      0.29461441
+H      2.10820772      0.11777382     -2.49746688
+H      2.07024353     -1.58797496     -2.01688607
+H      3.61517989     -0.70479065     -2.00849626
+H      3.38162987      3.15275761     -0.30712451
+H      1.72895013      2.59203341     -0.62424459
+H      3.02835487      2.21564856     -1.77721578
+H      3.36317435      0.36234082      2.17119381
+H      3.68759055      2.15248533      1.87815464
+H      5.09452460      1.55089604      0.10010214 
+
+16
+-1640.7335336501603 12.394756 14.18046 -8.9226 -6.7865 -9.132 0.8873 -0.0341 2.471 8.69004 -1.99852 4.1568414262 10.1260730046 0.410428533
+C      0.92850939      0.00297094     -0.02358380
+C      2.38315311      0.01197694     -0.00972819
+C      3.59967347      0.01183684      0.01574109
+C      5.05242931      0.02588509      0.04219518
+C      5.80488636      1.09789061      0.88900857
+C      6.77743490     -0.04312539      1.26245924
+N      5.72224153     -1.02275509      0.88017183
+H      0.52615161      1.02706823     -0.00703734
+H      0.52909541     -0.52622785      0.85457117
+H      0.53819707     -0.49547375     -0.92357976
+H      5.43645415      0.04699833     -0.99815836
+H      5.19686826      1.42444376      1.74122706
+H      6.20312024      1.96517364      0.35059482
+H      7.66709340     -0.05166258      0.60504619
+H      7.10431403     -0.11717213      2.31023052
+H      6.04838775     -1.83544761      0.35064177 
+
+20
+-1937.4714103619929 12.331378 13.9037 -9.1449 -7.033 -10.69 0.9033 -0.0036 2.867 10.09596 -2.53402 8.4808779734 11.3685119134 0.204018527
+C      1.04321655      0.09353317     -0.40682839
+C      2.49944944     -0.32098870     -0.62600501
+C      3.45626088      0.34393893      0.37072146
+C      4.90293014     -0.11289341      0.25055447
+C      5.60553557      0.20692413     -1.05488548
+C      5.73227398     -0.19934649      1.48542319
+N      5.16359004     -1.43226894      0.88381776
+H      0.37107167     -0.40267668     -1.12183852
+H      0.91471212      1.18090643     -0.52705316
+H      0.70491231     -0.16956206      0.60754593
+H      2.79625701     -0.07138688     -1.65841913
+H      2.59676142     -1.41464886     -0.52574735
+H      3.11281934      0.12157324      1.39411134
+H      3.41562778      1.44214620      0.25366576
+H      6.66469758     -0.08702082     -1.01511591
+H      5.56538619      1.28655738     -1.26928922
+H      5.13980628     -0.31886892     -1.90210359
+H      5.30130443      0.07587975      2.45172243
+H      6.80693826     -0.01821021      1.39413154
+H      5.90143903     -1.91741728      0.36134187 
+
+20
+-1930.9001443438542 12.60562 14.22817 -8.82 -6.7695 -10.383 0.996 0.1338 3.087 9.70911 -2.77385 8.4510469418 11.4821946768 0.134524129
+C      1.24722139     -0.40233834     -0.63782743
+C      2.75688736     -0.15820200     -0.61229594
+C      3.19538535      0.78022468      0.51822540
+C      4.68849872      1.00963576      0.54706911
+C      5.44236957      1.30082371      1.80426383
+N      5.52135073     -0.02458949      1.17584542
+C      6.78430235     -0.32289105      0.50669451
+H      0.96179942     -1.07493130     -1.45941867
+H      0.69210544      0.53945956     -0.76941082
+H      0.90372280     -0.86016015      0.30251396
+H      3.07992935      0.26307583     -1.58035210
+H      3.28870396     -1.11721209     -0.49771870
+H      2.88525668      0.35972282      1.48928503
+H      2.68387517      1.75406777      0.41464500
+H      5.10756341      1.46897082     -0.36016520
+H      4.91522208      1.33963416      2.76144994
+H      6.31770202      1.95558609      1.72651800
+H      6.61327422     -1.08422325     -0.26871427
+H      7.49567114     -0.73245713      1.23921810
+H      7.24948883      0.56412359      0.02841482 
+
+18
+-1789.5835420507383 13.102441 14.28436 -8.5373 -6.5471 -8.89 1.0926 0.0941 1.327 8.41282 -0.68158 6.136749063 6.136749063 0.474204036
+C      0.89515626      0.11439119     -0.49187420
+C      2.35689423      0.19370229     -0.17650733
+C      3.27915411      0.80354207     -0.93668340
+C      4.71932455      0.85360873     -0.61693844
+C      5.78721522      0.76454366     -1.67285890
+N      5.47964965      2.04664106     -1.04427896
+C      6.46701436      2.53464353     -0.08573492
+H      0.56334269     -0.93248741     -0.58596417
+H      0.65600988      0.63377638     -1.43024995
+H      0.28833632      0.56102757      0.31261908
+H      2.68331565     -0.29418471      0.75067692
+H      2.97996240      1.30511071     -1.86424110
+H      4.99944861      0.42552895      0.35502326
+H      5.50548445      0.66986881     -2.72485913
+H      6.71624951      0.25657438     -1.38836528
+H      5.97384409      3.20721382      0.63068285
+H      7.23771902      3.10718254     -0.62297361
+H      6.96840899      1.72340643      0.48176728 
+
+20
+-1931.6280380439987 12.527885 13.96503 -8.8072 -6.7815 -10.372 0.9393 0.0729 3.001 9.68944 -2.6443 8.4026056116 12.8446644322 0.117623068
+C      1.14304464      0.11510889      0.16224233
+C      2.64678360     -0.05292902     -0.08770760
+C      2.92712140     -0.79235968     -1.40172519
+C      3.34446895      1.29496549     -0.07728387
+C      3.85260095      1.93617444      1.17239609
+N      4.78161463      1.32168659      0.21215612
+C      5.57535712      2.26013506     -0.57658633
+H      0.94959577      0.63088126      1.11432819
+H      0.63733930     -0.86105376      0.19498793
+H      0.67345255      0.70521263     -0.64121717
+H      3.08084597     -0.64189980      0.73900123
+H      2.51640089     -0.23642924     -2.26032312
+H      2.46794314     -1.79199514     -1.40225395
+H      4.00870978     -0.91248338     -1.55707609
+H      2.99879361      1.99525849     -0.85351545
+H      3.75626601      1.41861621      2.13105403
+H      3.82472838      3.03013485      1.22814479
+H      5.88398572      1.77469116     -1.51416827
+H      6.48205200      2.53057118     -0.01534367
+H      5.03077561      3.19349378     -0.82964002 
+
+16
+-1634.3205617342128 12.706339 14.46678 -8.7939 -6.7235 -9.047 0.8978 0.045 2.354 8.64976 -1.85768 4.13617296 9.3886910668 0.247442096
+C      0.96225308      0.02096447      0.00335019
+C      2.41668509      0.01238627      0.00570255
+C      3.63337678      0.01100077     -0.00396026
+C      5.07030839     -0.00800487      0.00563094
+C      5.88123545     -0.77508504     -1.00521245
+N      5.79869276      0.67966976     -1.08681712
+C      6.99461952      1.40363409     -0.66360446
+H      0.57004044      1.04544448     -0.08618355
+H      0.56202699     -0.41042155      0.93333549
+H      0.56207429     -0.56622612     -0.83709004
+H      5.53060316      0.06062297      1.00005400
+H      5.36297084     -1.32385575     -1.79414473
+H      6.81364188     -1.22369084     -0.64268631
+H      6.70873975      2.41402743     -0.33834782
+H      7.67582690      1.49666547     -1.52201892
+H      7.54203467      0.90754847      0.16432249 
+
+20
+-1934.7421975842803 12.333394 13.8213 -8.6889 -6.5039 -10.192 0.9379 0.013 3.077 9.51141 -2.7901 8.3633764412 11.4845876066 0.150978613
+C      1.04350965     -0.24712658     -0.00210741
+C      2.48004185     -0.12851006     -0.51517574
+C      3.37914803      0.70442680      0.40361104
+C      4.82552179      0.79980089     -0.07592583
+C      5.79011138      1.51210498      0.91174195
+N      6.22899526      0.18013991      1.41063591
+C      5.69071212     -0.46714379      0.18310803
+H      0.41704392     -0.83654669     -0.68691660
+H      0.57722698      0.74403434      0.10795782
+H      1.01385586     -0.73690441      0.98322548
+H      2.47738712      0.32198672     -1.52329215
+H      2.91070313     -1.13751114     -0.63435846
+H      3.36852559      0.27914556      1.42273721
+H      2.96321051      1.72458420      0.48879831
+H      4.85974657      1.17798413     -1.10887257
+H      5.33109349      2.15568538      1.68095697
+H      6.57421795      2.08762332      0.38537382
+H      7.23681997      0.07974550      1.54570720
+H      6.43709406     -0.63125048     -0.61615750
+H      5.15639476     -1.41403859      0.36935253 
+
+18
+-1790.0014430206943 12.269772 13.22052 -8.7672 -6.5633 -9.505 0.9374 0.0094 1.365 8.96322 -0.79064 6.6667520172 6.6667520172 0.448082907
+C      2.39977624      3.07316618     -0.63397373
+C      2.70649270      1.77182071     -0.57429447
+C      3.41491678      1.09928345      0.56471920
+C      4.75149393      0.47191989      0.14525448
+C      5.90323774      1.49186619     -0.06577912
+N      6.36562940      1.21418722      1.32317840
+C      5.60103463     -0.06246015      1.33048647
+H      1.88821799      3.50145182     -1.49747320
+H      2.64560626      3.75323578      0.18620336
+H      2.44131601      1.12674690     -1.42163766
+H      2.77248292      0.29671739      0.97117878
+H      3.59178892      1.81812100      1.38093027
+H      4.59695594     -0.23852045     -0.67978514
+H      5.61599903      2.53910053     -0.25311753
+H      6.60396672      1.16397209     -0.85543352
+H      7.37676149      1.11357543      1.43092668
+H      6.19071800     -0.95340452      1.04562769
+H      5.07064529     -0.27106945      2.27471905 
+
+16
+-1634.2955848322247 11.776447 12.9446 -8.9154 -6.7046 -9.808 0.8897 -0.0427 2.329 9.39346 -1.92788 4.3646543608 10.6010261748 0.352544766
+C      3.11901125     -0.95025568     -2.41852105
+C      3.31544362     -0.48786081     -1.31287589
+C      3.57508276      0.08827051      0.00097460
+C      4.54486903      1.27998316     -0.04665236
+C      3.92532414      2.57871833     -0.62676472
+N      3.62353547      3.01921475      0.76466911
+C      4.62966073      2.05909184      1.29308870
+H      2.93725114     -1.36411047     -3.38908932
+H      3.98650603     -0.69153822      0.66467841
+H      2.62468382      0.41889001      0.45351694
+H      5.50138305      0.96975889     -0.48673933
+H      3.04285916      2.46746518     -1.27663997
+H      4.68243368      3.19259103     -1.14772153
+H      3.81654131      4.00342577      0.96117909
+H      5.63704355      2.48618859      1.45196666
+H      4.31872127      1.52849713      2.20868066 
+
+18
+-1790.750134014065 12.33036 13.36211 -8.7633 -6.5734 -8.841 0.925 0.0058 1.455 8.32806 -0.8041 6.1216599668 6.1216599668 0.367928965
+C      1.03356674      1.77993128      1.45938853
+C      2.51049320      1.63026730      1.25940819
+C      3.09987086      1.33488482      0.09022561
+C      4.58175946      1.16862912     -0.12015340
+C      5.50475579      2.23421907      0.55205886
+N      5.77337482      1.28481919      1.66427440
+C      5.29998935      0.15058666      0.82669002
+H      0.78312347      2.77979135      1.84998108
+H      0.65699698      1.05566134      2.20031231
+H      0.47944337      1.62966489      0.52173519
+H      3.14477328      1.76812073      2.14449311
+H      2.46439576      1.19030926     -0.79188772
+H      4.79044812      1.00695106     -1.18532478
+H      5.01768435      3.17194713      0.86258966
+H      6.38489635      2.46916543     -0.07470447
+H      6.75145050      1.22670096      1.95563785
+H      6.10286255     -0.40187909      0.30378260
+H      4.64870504     -0.56292049      1.35589296 
+
+18
+-1792.5392314154583 12.307996 13.07046 -8.8193 -6.648 -9.037 0.8792 -0.0428 1.444 8.4061 -0.79527 6.3175082524 6.3175082524 0.43998278
+C      1.03915038      0.38182128      0.79377835
+C      2.34081618      0.01606508      0.12902261
+C      2.53754915     -1.19731591     -0.41477930
+C      3.43510698      1.05115240      0.08630392
+C      3.03072575      2.47579768     -0.41258009
+N      2.97753376      2.94354549      0.99651981
+C      3.77236214      1.76705306      1.43393331
+H      0.57855471      1.26121414      0.31821732
+H      1.19102030      0.65384453      1.84955986
+H      0.32683393     -0.45195612      0.74884578
+H      1.75966533     -1.96341122     -0.39592843
+H      3.48245933     -1.45986604     -0.89520756
+H      4.30989785      0.63033097     -0.42628382
+H      2.07940957      2.56708528     -0.96157740
+H      3.83608702      2.92668697     -1.02077297
+H      3.41141739      3.85195846      1.17093197
+H      4.85867229      1.94916798      1.52618758
+H      3.41349794      1.29160597      2.36117908 
+
+20
+-1935.1501646670692 12.240382 13.49677 -8.6652 -6.4934 -10.167 0.9216 0.0031 3. 9.48645 -2.67201 8.328635564 10.5011058574 0.15435061
+C      1.12053244     -0.05079533      0.25786235
+C      2.62328290      0.00609209     -0.04543563
+C      2.94981220     -0.82494828     -1.29295567
+C      3.09742170      1.45555569     -0.21085651
+C      3.10316019      2.31695329      1.08474444
+N      4.56544971      2.07817609      1.21614150
+C      4.63905034      1.66553433     -0.21117851
+H      0.86119096      0.52036722      1.16085224
+H      0.78825898     -1.08795670      0.41318324
+H      0.53802399      0.36333602     -0.58156490
+H      3.16981519     -0.42416765      0.81411332
+H      2.41443681     -0.43241071     -2.17314797
+H      2.64570642     -1.87372095     -1.15946691
+H      4.02501362     -0.81697931     -1.52271593
+H      2.57247025      1.91486751     -1.06365918
+H      2.51034218      1.95090394      1.93907374
+H      2.82384782      3.36765789      0.88405687
+H      5.11820562      2.90315819      1.45663346
+H      4.94765244      2.46701608     -0.90771493
+H      5.27062626      0.77948060     -0.39000503 
+
+16
+-1639.1289389643944 12.303597 13.9697 -8.6934 -6.5248 -9.15 0.8429 -0.1022 2.391 8.71197 -1.93935 4.1250390172 10.1706707688 0.538851705
+C      0.94173639     -0.00857539      0.01995056
+C      2.39709193     -0.01958324      0.00644827
+C      3.61445439     -0.02964470     -0.01005328
+C      5.06336688     -0.03865160      0.00673801
+C      5.83277107      1.06818538      0.79590307
+N      6.72375302      0.04594186      1.43612525
+C      5.81837801     -1.04056323      0.93747578
+H      0.55554566      0.80739985      0.64928118
+H      0.54110193     -0.95341427      0.41743401
+H      0.53357616      0.12768217     -0.99288734
+H      5.45493666     -0.11033008     -1.02145646
+H      5.19942897      1.56155358      1.54901122
+H      6.34028578      1.83554217      0.19428166
+H      7.61168908      0.00588908      0.92930822
+H      6.31493014     -1.88822001      0.44426199
+H      5.17902392     -1.42013156      1.74918785 
+
+20
+-1938.3033592379704 12.477468 14.26717 -9.1106 -7.0064 -10.705 0.9156 0.0266 2.973 10.09655 -2.68192 8.572825991 11.2145337 0.147725992
+C      0.87490106     -0.02369862     -0.02862001
+C      2.38452334     -0.13957599     -0.24643563
+C      3.16665276      1.05185169      0.32257766
+C      4.65487061      0.96567347      0.07111933
+N      5.60618275      1.80769476      0.83685505
+C      5.57458620      0.33892185      1.06035922
+C      6.80951723     -0.42632838      0.65556156
+H      0.34073948     -0.88702434     -0.45026395
+H      0.47266168      0.88316370     -0.50583804
+H      0.62884897      0.02956096      1.04313667
+H      2.59575249     -0.22577695     -1.32593070
+H      2.75862539     -1.06963374      0.21333527
+H      2.98639109      1.12516651      1.41090065
+H      2.77637802      1.98634576     -0.12014838
+H      4.93457970      0.87945909     -0.98634172
+H      5.09252705      2.27596688      1.59271375
+H      5.09633066     -0.00354248      1.98650996
+H      7.22872987     -0.01116705     -0.27116969
+H      6.57933436     -1.48965046      0.48974728
+H      7.58532729     -0.36224668      1.43315174 
+
+18
+-1796.4677319583961 12.705369 14.08204 -8.6988 -6.6621 -8.94 0.9416 0.0798 1.303 8.47379 -0.66063 6.117097282 6.117097282 0.401835494
+C      1.05704423      0.09650714     -1.03637030
+C      2.54000312      0.17878529     -0.83821396
+C      3.17271962      1.15150800     -0.16494734
+C      4.63651252      1.27736956      0.03633209
+N      5.62080758      0.42834156     -0.66631808
+C      5.52318838      1.86241082     -1.02375185
+C      6.71235223      2.72750198     -0.69335153
+H      0.79517595      0.09630400     -2.10694993
+H      0.53865292      0.93953330     -0.55894391
+H      0.65119773     -0.83807551     -0.61666160
+H      3.12634724     -0.63606534     -1.28013655
+H      2.57282082      1.93970436      0.30685610
+H      4.93070507      1.49335255      1.07096853
+H      5.13629310     -0.12884563     -1.37865412
+H      5.01162060      2.09462777     -1.96470564
+H      7.15718165      2.41919046      0.26257733
+H      6.42222129      3.78645294     -0.62182700
+H      7.48712595      2.63847676     -1.46980222 
+
+20
+-1938.9189133973678 12.405367 14.02796 -9.0935 -7.0257 -10.698 0.8902 -0.0098 2.882 10.08055 -2.5523 8.5336960094 11.2486422486 0.166307559
+C      1.18030951      0.14316160      0.21898082
+C      2.66422225     -0.02497901     -0.13777003
+C      2.83595532     -0.74082080     -1.48492366
+C      3.37733979      1.31482820     -0.14683925
+N      3.74425067      1.99356680      1.12006559
+C      4.80791256      1.43912567      0.24119135
+C      5.74311979      2.43762446     -0.39400899
+H      1.05288203      0.65295184      1.18491268
+H      0.67387132     -0.83150612      0.27737367
+H      0.66288707      0.74433393     -0.54536691
+H      3.14119431     -0.64567943      0.64542210
+H      2.39085943     -0.14842210     -2.30007810
+H      2.33843748     -1.72181303     -1.47796003
+H      3.89780079     -0.89724089     -1.72336116
+H      3.00369907      2.01729807     -0.90420492
+H      3.57983637      1.34444246      1.89905296
+H      5.28062051      0.50789722      0.57784222
+H      5.19410500      3.34388456     -0.68427483
+H      6.22073671      2.01541808     -1.29129697
+H      6.53759001      2.73518849      0.30695348 
+
+16
+-1643.8257927772079 12.604667 14.45347 -8.751 -6.6866 -9.039 0.8015 -0.0583 2.266 8.67186 -1.77409 4.1102970818 9.708413765 0.328318648
+C      0.95292610     -0.03395251     -0.00842787
+C      2.40683043      0.00735085      0.01215561
+C      3.62422904      0.04618588      0.03203747
+C      5.05960219      0.06317734      0.05994296
+N      5.84352361     -0.64924565     -0.99906951
+C      5.83402971      0.82629400     -0.97583847
+C      7.13754143      1.50447281     -0.64096806
+H      0.52312575      0.97341830     -0.11959854
+H      0.55696986     -0.46752523      0.92243915
+H      0.58555412     -0.64900622     -0.84414956
+H      5.51222916     -0.03040571      1.05249032
+H      5.17913743     -0.98328074     -1.70636867
+H      5.21494673      1.32936806     -1.72625041
+H      7.68319126      0.93319748      0.12231535
+H      6.96514089      2.52315916     -0.26365730
+H      7.77829229      1.57321218     -1.53273250 
+
+20
+-1941.9202515322074 12.289917 13.56045 -9.0544 -6.9396 -10.288 0.8569 -0.0783 2.895 9.6548 -2.51725 8.1959829426 10.8896159884 0.326919575
+C      0.95274416      0.12161729      0.19130565
+C      2.39333750     -0.23322576     -0.19952675
+C      2.45618873     -0.82877630     -1.61210503
+C      3.33788007      0.96938195     -0.04572864
+N      3.11374650      2.15577805     -0.85462734
+C      3.89297287      1.24917182      1.33191057
+C      4.79168807      0.68147057      0.25062710
+H      0.90511637      0.53668788      1.20899268
+H      0.30407016     -0.76591250      0.15514869
+H      0.52392392      0.86515239     -0.49989363
+H      2.75181347     -1.00470205      0.50587409
+H      2.07756216     -0.11593986     -2.36243552
+H      1.83778437     -1.73538749     -1.68589822
+H      3.48700442     -1.09655126     -1.88764290
+H      3.15595766      1.92343593     -1.85058969
+H      2.18210755      2.54024472     -0.67591744
+H      3.59481396      0.59002813      2.14887905
+H      4.03906243      2.29488569      1.60169155
+H      5.52723514      1.35476661     -0.18900977
+H      5.10102050     -0.36147581      0.33657555 
+
+20
+-1939.9192750738605 12.455831 13.95051 -8.6764 -6.5723 -9.976 0.9078 -0.0303 3.058 9.49402 -2.72741 7.944464943 12.5875670626 0.164353751
+C      0.93804300     -0.13510499     -0.30048437
+C      2.46627520     -0.11318541     -0.24289089
+C      3.02427043      1.23398247      0.22873106
+C      4.54428894      1.30379593      0.24670635
+N      5.12847134      1.15880982     -1.08032197
+C      5.20753447      2.17956209      1.29860004
+C      5.27488252      0.66346615      1.39541695
+H      0.56207957     -1.11347548     -0.63350800
+H      0.55413837      0.62357792     -1.00053655
+H      0.49433948      0.07309640      0.68612665
+H      2.89021151     -0.34138092     -1.23281008
+H      2.82497107     -0.90656439      0.43489971
+H      2.64531627      1.46201739      1.23956355
+H      2.64124731      2.03931719     -0.42637765
+H      6.13397712      0.98991178     -1.01171575
+H      5.01453798      2.03204675     -1.60431841
+H      4.57920777      2.71313477      2.01482879
+H      6.12055455      2.70497326      1.01286709
+H      6.23325182      0.18153429      1.19082240
+H      4.68514127      0.16942499      2.16943107 
+
+20
+-1934.3448654489391 12.340635 13.92094 -9.3649 -7.19 -10.96 0.9172 0.0172 3.009 10.28453 -2.7255 8.8655197412 11.5257881544 0.251231866
+C      0.64134422     -0.26646678      0.30297790
+C      2.05923079     -0.40074342     -0.25559732
+C      2.94803677      0.80129996      0.08428191
+C      4.36404209      0.74494424     -0.50633038
+C      5.22667724     -0.36425186      0.05612983
+C      5.36846102     -1.69301417     -0.60152048
+N      6.45386364     -0.69093782     -0.70531456
+H      0.02133961     -1.13761148      0.04658489
+H      0.13987884      0.62921381     -0.09543991
+H      0.65286579     -0.17699207      1.40041662
+H      2.01446887     -0.51646007     -1.35273652
+H      2.52146528     -1.32408906      0.12998291
+H      3.01352356      0.90363412      1.18306396
+H      2.45470086      1.72165902     -0.27261511
+H      4.87366113      1.70505345     -0.31814922
+H      4.31866069      0.63113151     -1.60231601
+H      5.31017947     -0.36735617      1.15051506
+H      4.84125146     -1.88437276     -1.54011606
+H      5.51662557     -2.57284193      0.03049064
+H      7.20894311     -0.93678852     -0.05796815 
+
+18
+-1789.4719652558256 12.214233 13.25209 -9.3305 -7.1565 -9.58 1.126 0.0321 1.289 9.05615 -0.72613 6.662759668 6.662759668 0.434921624
+C      2.23480741      3.09987707      1.68939012
+C      2.82358610      1.94296285      1.36585476
+C      3.16733548      1.49747141     -0.02672683
+C      4.64934379      1.12081422     -0.22146610
+C      5.59502517      2.29524052     -0.10619703
+C      6.24847282      2.67379659      1.17494024
+N      7.02048119      1.96694268      0.12633566
+H      1.99923724      3.35163822      2.72443319
+H      1.96497623      3.83455577      0.92590785
+H      3.07694547      1.23728610      2.16725813
+H      2.87923151      2.28143314     -0.74757790
+H      2.55878042      0.60950825     -0.27338284
+H      4.77371868      0.66110690     -1.21604500
+H      4.94942475      0.35503860      0.51261495
+H      5.38127409      3.12468207     -0.79213692
+H      6.05278178      2.07972013      2.07106975
+H      6.44791517      3.73218042      1.36099440
+H      7.61510270      2.63810507     -0.36970642 
+
+14
+-1490.9130313217147 12.123031 12.81921 -9.065 -7.0389 -8.844 0.5651 -1.0562 0.502 8.33768 0.0698 4.0570326962 6.0607952394 0.412051823
+C      0.95091508     -0.00808318      0.04025448
+C      2.29880033     -0.04426378      0.03202248
+C      3.01965893     -1.27224608     -0.04613531
+C      3.68647915     -2.28707806     -0.12754545
+C      3.14620653      1.19753834      0.06846652
+C      2.72948072      2.44651459      0.75702292
+N      3.73828296      1.55907215      1.37726703
+H      0.41908966      0.94253518      0.07937334
+H      0.36163723     -0.92387343      0.00622365
+H      4.26183411     -3.18767417     -0.19234615
+H      3.78853953      1.31353557     -0.81160839
+H      1.77811261      2.48122979      1.29198748
+H      3.04830134      3.39610922      0.31943446
+H      4.67917182      1.93894385      1.23171294 
+
+16
+-1653.4982257456888 14.127191 13.99641 -8.2585 -6.3659 -8.266 0.6334 -0.9135 0.247 7.79562 0.31501 4.9706235372 4.9706235372 0.885514304
+C      1.57368671     -0.68701423     -1.11293701
+C      2.47799770     -0.18308600     -0.25024899
+C      3.24112922      1.02808595     -0.47464622
+C      4.14490730      1.52820420      0.39612223
+C      4.90711520      2.76788013      0.18158823
+C      5.19122760      3.72257922      1.30383663
+N      6.25730318      2.83637058      0.81449288
+H      1.02682715     -1.60405149     -0.89463213
+H      1.35810176     -0.19213583     -2.06283478
+H      2.66629557     -0.70881988      0.69276503
+H      3.05791481      1.55925060     -1.41710283
+H      4.34555423      1.00255675      1.33649228
+H      4.79103535      3.22544832     -0.80686878
+H      4.82649293      3.48614846      2.30639315
+H      5.21779309      4.78795690      1.05903349
+H      6.88868820      3.35739634      0.19763681 
+
+16
+-1651.3041855645972 12.679368 12.91422 -8.5472 -6.6146 -8.57 0.6387 -0.9439 0.252 7.9917 0.28465 5.221112453 5.221112453 0.727586191
+C      2.55685090     -1.26686190      0.65338344
+C      2.17141445     -0.03804961      0.26114235
+C      3.04878157      1.10880076      0.01737825
+C      2.55425269      2.26809418     -0.46558752
+C      4.50820896      0.95521527      0.31318728
+C      5.50859818      0.66988568     -0.76249351
+N      5.41682788      2.01638839     -0.16278647
+H      1.82619242     -2.06140649      0.80555717
+H      3.60451973     -1.52131305      0.82305610
+H      1.10577540      0.15020331      0.09263248
+H      1.49176109      2.37154071     -0.69170783
+H      3.21506422      3.11490275     -0.65088006
+H      4.72895952      0.50829312      1.28913771
+H      5.15891538      0.61326845     -1.79604242
+H      6.36311051      0.03298849     -0.51794974
+H      6.17228709      2.14490995      0.51682279 
+
+14
+-1495.0702970908521 13.296367 14.03362 -8.6118 -6.606 -8.444 0.6203 -0.9662 0.541 8.01041 0.00181000000001 3.8416318184 5.9284401844 0.493661251
+C      0.90338236      0.05478054     -0.17038357
+C      2.22082194      0.07971322      0.11521207
+C      3.04131719      1.23205657      0.06212359
+C      3.77442391      2.20832909      0.03046901
+C      4.65319507      3.33995491     -0.02436861
+C      4.68855991      4.26048392     -1.21065343
+N      4.03534618      4.70065792      0.02996285
+H      0.33812287     -0.87419949     -0.10296250
+H      0.37015783      0.95696940     -0.47155181
+H      2.71911753     -0.84816043      0.41706533
+H      5.60730261      3.20649112      0.49598350
+H      4.00400712      4.06392787     -2.03774857
+H      5.66056635      4.67592003     -1.48946722
+H      4.66659913      5.31712533      0.55303937 
+
+16
+-1633.794227435446 11.660806 12.83145 -9.4285 -7.2616 -9.897 0.9051 -0.055 2.293 9.49104 -1.88007 4.3590501936 10.6143050754 0.557209384
+C      3.93685223      0.09365315     -2.95302367
+C      3.79120657      0.04273937     -1.74857896
+C      3.59890935     -0.01247913     -0.30291434
+C      4.26454429      1.14405616      0.47404286
+C      5.77472265      1.12274870      0.41488839
+C      6.53800417      1.85420904     -0.63125295
+N      6.45291971      2.39601031      0.74490636
+H      4.06424371      0.13646632     -4.01525237
+H      3.98027747     -0.97809765      0.07283976
+H      2.51702458     -0.01104030     -0.09090638
+H      3.94453377      1.07857771      1.52694310
+H      3.90598479      2.11097039      0.09057768
+H      6.23659917      0.19973646      0.78669397
+H      5.99191819      2.42954326     -1.38199054
+H      7.48146365      1.42324386     -0.97509219
+H      7.32646571      2.20212236      1.24399927 
+
+14
+-1494.8300386113528 13.240408 13.60672 -8.6583 -6.6775 -8.501 0.5576 -1.0138 0.444 8.09437 0.12515 4.0753206312 5.8203119938 0.386646759
+C      0.88511719      0.01704745      0.09499702
+C      2.09570053      0.13561346      0.16063177
+C      3.50062559      0.25614066      0.28172395
+C      4.31327225      0.74642077     -0.68077698
+C      5.77375414      0.84431538     -0.54159893
+C      6.69170731      0.55875152     -1.69430134
+N      6.43487082      1.94855192     -1.29488941
+H     -0.17847552     -0.08371464      0.02591900
+H      3.93668251     -0.07942009      1.22988115
+H      3.89015321      1.09596391     -1.62689757
+H      6.17012173      0.59941566      0.44950323
+H      6.26154231      0.27202528     -2.65708293
+H      7.65409606      0.09629288     -1.45911814
+H      7.22001186      2.30611582     -0.74157084 
+
+12
+-1339.8668198367996 13.323981 13.90216 -9.0601 -6.9897 -8.65 0.6421 -0.9503 0.894 8.25023 -0.47841 3.1962226954 7.772930312 2.110824937
+C      0.94927842      0.00745424     -0.02175928
+C      2.17057631      0.00117802     -0.02385395
+C      3.52842192     -0.00455545     -0.02455832
+C      4.75268126     -0.00529351     -0.03157256
+C      6.18333006     -0.03969426     -0.00671454
+C      6.97680502     -0.76680558     -1.05494126
+N      6.90942821      0.69994125     -1.08355638
+H     -0.12085801      0.01306036     -0.02124573
+H      6.62307803     -0.02524285      0.99607241
+H      6.43527255     -1.26123291     -1.86331650
+H      7.89370230     -1.26294243     -0.72614907
+H      7.76415393      1.09635313     -0.67797482 
+
+18
+-1793.6098623776952 12.685745 14.12174 -9.0051 -6.8358 -8.997 0.9787 0.063 1.437 8.47799 -0.79786 6.284478382 6.284478382 0.441866698
+C      1.02157462      0.57511735      1.19334840
+C      2.47431957      0.56481680      0.82539728
+C      3.04759029      1.36341284     -0.08553198
+C      4.50566330      1.35607586     -0.44712058
+C      5.16938803      2.69693947     -0.19234499
+C      6.31815155      3.17874493     -1.00573039
+N      4.96258318      3.73230213     -1.23062726
+H      0.55253872     -0.40189912      0.99260741
+H      0.46855084      1.34072230      0.63133555
+H      0.88292719      0.77184955      2.26879966
+H      3.10333169     -0.16667629      1.34936303
+H      2.43124890      2.09907418     -0.61696325
+H      4.62416823      1.12485108     -1.51989809
+H      5.03342440      0.57073507      0.11941072
+H      5.14290978      3.02842822      0.85179451
+H      6.69441462      2.55817970     -1.82341505
+H      7.07109839      3.80190050     -0.51666916
+H      4.89241670      4.65578543     -0.79258582 
+
+18
+-1793.9151790593398 12.43992 13.61408 -8.8498 -6.7676 -8.792 0.9554 -0.0863 1.439 8.20996 -0.73182 6.0593694004 6.0593694004 0.37722943
+C      0.84602571     -0.14011797      0.13417153
+C      2.33687185      0.01071155      0.15175204
+C      3.05895937      1.13184059     -0.03090148
+C      2.50124921      2.50311523     -0.30013237
+C      4.55481770      1.09096403      0.05456334
+C      5.38372582      0.00420248     -0.52886087
+N      5.29887424      1.31537019     -1.21484415
+H      0.53542299     -0.86663643     -0.63452755
+H      0.31890098      0.80194659     -0.06149810
+H      0.48271490     -0.53527757      1.09696374
+H      2.89526135     -0.91301947      0.34184706
+H      1.40914135      2.51517219     -0.39375729
+H      2.93599739      2.90187105     -1.22975039
+H      2.77923087      3.20254850      0.50644053
+H      4.96997977      1.58370810      0.94434926
+H      4.89430114     -0.81197361     -1.06466896
+H      6.31191930     -0.26738616     -0.01910074
+H      6.14846607      1.85562071     -1.02018561 
+
+18
+-1793.049287954278 12.348708 13.40371 -9.2502 -7.071 -9.228 0.8945 -0.0102 1.362 8.60051 -0.72007 6.4017939352 6.4017939352 0.441771114
+C      2.83649416     -1.09000988     -1.30953284
+C      2.63250629     -0.45046297      0.03908103
+C      1.87481249     -1.02157657      0.98825100
+C      3.32239927      0.87570377      0.27555551
+C      4.83861680      0.79038636      0.24084444
+C      5.63116033      1.03258197     -0.99672502
+N      5.55560746      2.07121197      0.05509729
+H      2.51647920     -0.41140872     -2.11738456
+H      2.27194396     -2.02698251     -1.40107299
+H      3.90104736     -1.30845811     -1.48850196
+H      1.37107042     -1.97557275      0.81859240
+H      1.73021832     -0.54854795      1.96184644
+H      3.01361236      1.28351439      1.25106695
+H      3.00938755      1.60760590     -0.48962020
+H      5.26818904      0.07541415      0.95214577
+H      5.11349112      1.29290619     -1.92393661
+H      6.56363917      0.47804263     -1.13047089
+H      6.42046470      2.06623213      0.60451425 
+
+18
+-1790.6094106648504 12.326417 13.44259 -9.2666 -7.1214 -9.46 0.956 0.0146 1.357 8.90743 -0.76195 6.6412109012 6.6412109012 0.481390132
+C      1.74473906     -0.14350766      0.45608309
+C      2.61574312      0.08852095     -0.78047018
+C      2.09153168     -0.53516829     -2.05085670
+C      0.96757546     -1.24808712     -2.19140884
+C      2.84865292      1.57823976     -1.00944888
+C      3.97032188      2.30825696     -0.36021998
+N      4.04579452      1.94309253     -1.79486466
+H      2.20170141      0.32225015      1.34053742
+H      1.62263902     -1.21605168      0.66224798
+H      0.74190777      0.29189686      0.32697664
+H      3.61714024     -0.34649975     -0.59996148
+H      2.72188787     -0.35336134     -2.92833117
+H      0.30315055     -1.46239047     -1.35183178
+H      0.67525871     -1.64998005     -3.16264459
+H      1.93332830      2.15378490     -1.19241352
+H      4.66591104      1.76007745      0.28117702
+H      3.81884013      3.35544254     -0.08690471
+H      3.84842630      2.76712424     -2.37070568 
+
+20
+-1935.0519604279777 12.333364 13.81765 -9.3677 -7.2033 -10.957 0.9076 -0.0014 2.928 10.2787 -2.63044 8.8577334204 10.8387073368 0.13706407
+C      0.79761383     -0.65208863      0.22926674
+C      2.27739148     -0.52167232     -0.15129639
+C      2.77260312     -1.79232311     -0.85413276
+C      2.50438086      0.74345576     -0.99942127
+C      3.95580588      1.06111570     -1.28386242
+C      4.64829707      0.63807175     -2.53312982
+N      4.21176101      2.04219013     -2.36399134
+H      0.44214653      0.23484052      0.77471080
+H      0.62637389     -1.53261391      0.86628765
+H      0.17121003     -0.76479263     -0.67045056
+H      2.85623713     -0.40485163      0.78481549
+H      2.22694949     -1.95211777     -1.79866540
+H      2.61129095     -2.67889351     -0.22294166
+H      3.84415618     -1.73722454     -1.09115524
+H      2.05827246      1.60856009     -0.47844232
+H      1.96796462      0.65322476     -1.96004738
+H      4.59198270      1.13379283     -0.39266621
+H      4.09071115      0.08075400     -3.29060540
+H      5.71502131      0.40364541     -2.48222279
+H      5.01973031      2.62295709     -2.11952972 
+
+18
+-1795.672372014463 12.897155 13.93073 -8.5205 -6.4661 -8.607 0.8674 -0.0378 1.38 8.07782 -0.68813 5.914256186 5.914256186 0.444744761
+C      0.93228328     -0.01147609     -0.35139038
+C      2.35741332     -0.31617594      0.03019130
+C      2.52611276     -1.52494453      0.91296508
+C      3.36879327      0.45715709     -0.41224212
+C      4.81197385      0.29415469     -0.14393323
+C      5.83269497      0.51618828     -1.21883991
+N      5.62540686      1.54568470     -0.18636630
+H      0.86109044      0.87946506     -0.98887559
+H      0.31107079      0.15477385      0.54481193
+H      0.47772567     -0.85907209     -0.89162892
+H      1.92247599     -1.42032675      1.82973621
+H      3.56491676     -1.70979086      1.21039744
+H      2.15800250     -2.43027747      0.40160703
+H      3.12935581      1.31706213     -1.04793981
+H      5.09205339     -0.44488461      0.61206117
+H      5.49478717      0.80145260     -2.21819914
+H      6.73618453     -0.09946439     -1.19525600
+H      6.37021864      1.48600433      0.51531124 
+
+20
+-1935.7939524543326 12.219482 13.48921 -9.2877 -7.1996 -10.852 0.8874 -0.035 2.768 10.19041 -2.38896 8.7237665474 12.856604284 0.130393139
+C      1.11143021      0.19843171      0.07461340
+C      2.62512378     -0.07268770      0.01477397
+C      3.05510888     -0.91826774      1.22367407
+C      2.97294254     -0.82446618     -1.28386473
+C      3.35055792      1.27662368     -0.02323583
+C      3.87089491      2.00641813      1.16526544
+N      4.80147542      1.29841375      0.25487837
+H      0.77640368      0.79250962     -0.79019687
+H      0.84359920      0.74996540      0.98870120
+H      0.54626138     -0.74597098      0.07053418
+H      2.70965402     -0.47686978      2.17023191
+H      4.14930308     -1.01203570      1.26173284
+H      2.62161862     -1.92656780      1.15282054
+H      2.67543278     -0.24450000     -2.17171155
+H      2.45468641     -1.79438757     -1.32674739
+H      4.05552657     -1.00925312     -1.34272420
+H      3.00297375      1.91776197     -0.84398228
+H      3.79513619      1.56413309      2.16054894
+H      3.84080421      3.09901571      1.14754562
+H      5.26666644      1.97089351     -0.36165762 
+
+16
+-1633.9385217107972 11.866846 13.21466 -9.4493 -7.2871 -9.708 0.9039 -0.019 2.302 9.27664 -1.8978 4.3504331666 10.580469296 0.423464949
+C      1.12766829      0.14627149      0.04041690
+C      2.64664597     -0.07269927     -0.10652815
+C      2.95832841     -0.84515651     -1.31023115
+C      3.19711615     -1.46304518     -2.32791504
+C      3.39886344      1.25575987     -0.11182687
+C      3.74256363      1.95474904      1.15541096
+N      4.78296425      1.23033506      0.39016349
+H      0.91214420      0.69748630      0.96634999
+H      0.59853072     -0.81481569      0.07073765
+H      0.73441173      0.72290295     -0.80867851
+H      3.01595295     -0.64134044      0.76546491
+H      3.41866091     -2.01835905     -3.21611218
+H      3.18215375      1.88838616     -0.97979696
+H      3.48658668      1.49412002      2.11357782
+H      3.74108992      3.04774550      1.15578020
+H      5.35936901      1.89296974     -0.13700306 
+
+16
+-1640.6184459551673 12.181948 14.13025 -9.394 -7.092 -9.293 0.8658 -0.0171 2.405 8.85086 -1.93849 4.1516464128 9.8937232406 0.500067939
+C      0.88271718     -0.11385856     -0.02407648
+C      2.33661209     -0.03651278     -0.01811804
+C      3.55140251      0.02022050     -0.00887433
+C      5.00878236      0.11017073      0.00090330
+C      5.51733377      1.54114207      0.09849632
+C      5.74752104      2.19460082      1.41172459
+N      6.89281574      1.69068353      0.61513135
+H      0.43109659      0.88956293     -0.00716065
+H      0.50926962     -0.66192867      0.85412793
+H      0.51353799     -0.63074257     -0.92270870
+H      5.41818798     -0.35467906     -0.91297589
+H      5.42473560     -0.46173049      0.84698641
+H      5.20344154      2.19325085     -0.72309927
+H      5.55284045      1.63374849      2.32931537
+H      5.58677875      3.27269161      1.48643673
+H      7.35648678      2.47436061      0.14523136 
+
+18
+-1793.6444665673525 12.966752 14.23571 -8.7086 -6.7164 -8.91 1.0071 0.049 1.325 8.40551 -0.67342 6.1479326002 6.1479326002 0.471219198
+C      2.40986800     -1.14857863      0.70605003
+C      3.33652369     -0.37468368     -0.24468411
+C      3.26728892      1.11156311     -0.04929559
+C      4.29884062      1.89626317      0.29700493
+C      4.20653981      3.35465266      0.50748079
+C      4.99275615      4.05055009      1.57476375
+N      5.41925740      4.15416630      0.16846359
+H      2.46036095     -2.22996220      0.51378632
+H      1.36224557     -0.83477041      0.58253634
+H      2.68877319     -0.97312916      1.75507840
+H      3.05636883     -0.61632314     -1.28556672
+H      4.37661257     -0.71404853     -0.11479431
+H      2.28054986      1.57195303     -0.19412882
+H      5.29448513      1.45985012      0.43976095
+H      3.23230966      3.79767708      0.27387621
+H      5.66226522      3.46486664      2.20958935
+H      4.52919921      4.91214705      2.06268230
+H      5.12741523      5.05783650     -0.21696339 
+
+18
+-1791.134522998153 12.247513 13.37974 -9.2554 -7.1863 -9.235 1.0279 -0.1879 1.382 8.57877 -0.70946 6.402885012 6.402885012 0.403565031
+C      2.77217706     -0.82099819     -1.30827853
+C      2.30815326      0.02881247     -0.11441129
+C      3.01505439      1.35806538      0.00541918
+C      2.37627719      2.53263454     -0.10035068
+C      4.49579561      1.30148476      0.23956243
+C      5.18526502      2.14470292      1.25137638
+N      4.93376437      0.71063719      1.53081197
+H      2.21104772     -1.76531712     -1.35171159
+H      3.83924192     -1.07719458     -1.23515615
+H      2.61604800     -0.28904354     -2.25850179
+H      2.48726539     -0.53340037      0.81802005
+H      1.22370692      0.20409589     -0.18397728
+H      1.30131903      2.57958993     -0.28744544
+H      2.90761442      3.48130682     -0.00200582
+H      5.09024945      1.03628267     -0.64370301
+H      4.59499484      2.82975021      1.86386246
+H      6.20735718      2.47046351      1.04151645
+H      5.79867823      0.17873751      1.38801268 
+
+20
+-1935.1812036148851 12.26513 13.70897 -9.3278 -7.1977 -10.913 0.9284 0.0329 2.902 10.24733 -2.56704 8.8054981186 10.8072768858 0.119023221
+C      3.67406340     -0.41107610     -0.84101709
+C      2.81731132      0.08512429      0.32653020
+C      3.09049559      1.53548059      0.76558300
+C      2.08079407      1.99290806      1.82600156
+C      4.50552554      1.71459494      1.28741987
+C      5.64247199      2.15194135      0.43178726
+N      5.00337914      3.10757457      1.36475531
+H      3.39253485     -1.43424773     -1.12882769
+H      4.74360279     -0.41887068     -0.58760608
+H      3.54672879      0.23005034     -1.72713330
+H      2.95530515     -0.58131746      1.19744558
+H      1.75122495      0.00480232      0.05511558
+H      2.98666857      2.19498272     -0.11572983
+H      2.13786566      1.35710740      2.72466758
+H      1.05094194      1.93706733      1.44364888
+H      2.28177835      3.03037885      2.12710424
+H      4.76431882      1.05082519      2.12356990
+H      5.46517151      2.36788420     -0.62513927
+H      6.64185391      1.77278652      0.66178948
+H      5.59336367      3.22063327      2.19474484 
+
+16
+-1638.1668692379917 12.49914 14.30464 -9.0608 -6.879 -9.08 0.9371 -0.069 2.357 8.65752 -1.84787 4.1305563942 11.7564021144 0.441380432
+C      0.97585846     -0.01704626      0.00783562
+C      2.51468067     -0.03374676     -0.00138270
+C      3.09931119      1.30234809      0.01443304
+C      3.54531981      2.43487202      0.02900854
+C      4.11397886      3.75552070      0.04422507
+C      3.99066391      4.69094194     -1.12015778
+N      3.17180975      4.91498082      0.08285678
+H      0.58276454     -1.04325111      0.00013019
+H      0.58662122      0.51105378     -0.87291157
+H      0.59727603      0.49466977      0.90265901
+H      2.87402332     -0.57808058     -0.89136490
+H      2.88404019     -0.59983603      0.87053987
+H      5.03591711      3.85101342      0.62752474
+H      3.42733037      4.35923746     -1.99443337
+H      4.83797187      5.34993534     -1.32713682
+H      3.59531271      5.65441740      0.65373428 
+
+22
+-2084.835619764238 13.245717 15.32124 -9.2323 -6.9081 -10.626 0.9644 0.0073 3.052 9.9837 -2.8271 8.7655126336 11.0452680128 0.161991963
+C      0.92906531      0.72953733      0.13164216
+C      2.42087593      0.55304562     -0.15853784
+C      3.21105595      1.86352203     -0.09105295
+C      4.70635129      1.69444755     -0.37734402
+C      5.49228594      3.00669483     -0.31349632
+C      6.98133579      2.83813291     -0.61348243
+N      7.68714438      4.12411199     -0.49006334
+H      0.39100021     -0.22775517      0.07479970
+H      0.46205554      1.41819837     -0.58930706
+H      0.76609279      1.14475226      1.13815684
+H      2.55139466      0.10298310     -1.15803055
+H      2.85291040     -0.16715650      0.55778766
+H      3.07948736      2.31667655      0.90796471
+H      2.78108240      2.58421285     -0.81003578
+H      4.83449426      1.23581477     -1.37439008
+H      5.13457266      0.97672207      0.34539085
+H      5.38615839      3.46728785      0.68274719
+H      5.05976666      3.72491467     -1.03437034
+H      7.09542589      2.35600336     -1.60738779
+H      7.42176742      2.14539657      0.12338411
+H      7.35254345      4.76821155     -1.21257703
+H      8.68528332      3.99333544     -0.67017769 
+
+12
+-1376.17448845304 11.351981 12.12768 -10.5228 -8.1389 -9.801 -0.0394 -1.7791 -0.272 9.36487 0.77102 4.368894682 10.5542834528 0.384508798
+C      0.96106660      0.22581016      0.24806901
+C      2.26624666      0.05726825     -0.02653397
+C      2.93427792     -1.31140714     -0.09336685
+C      3.42830910     -1.64209485     -1.42578415
+C      3.83167057     -1.91109743     -2.53710176
+C      3.10918723      1.19186199     -0.25945974
+N      3.82393157      2.10076654     -0.43270072
+H      0.51529549      1.21834324      0.29649375
+H      0.31665658     -0.63511922      0.42838880
+H      2.20774308     -2.06939836      0.23745277
+H      3.77302097     -1.33705752      0.62289296
+H      4.19183423     -2.14509566     -3.51813010 
+
+14
+-1538.8538411346678 12.920883 13.30491 -9.1106 -7.1249 -8.736 0.2047 -1.4004 -0.109 8.25815 0.64842 5.0555787444 5.0555787444 0.861211125
+C      2.05902563     -1.26972227     -0.51702727
+C      3.00376518     -0.50323258      0.05868421
+C      3.30378574      0.85696252     -0.34876621
+C      4.25286587      1.62400991      0.22048092
+C      4.57550888      3.02715071     -0.22895532
+C      4.48252333      4.00383465      0.85917624
+N      4.41471455      4.77234857      1.73380525
+H      1.86545516     -2.28662077     -0.17661325
+H      1.45259966     -0.89574994     -1.34513547
+H      3.59397043     -0.90756856      0.88800181
+H      2.70923079      1.26499193     -1.17523930
+H      4.84568571      1.23335676      1.05283008
+H      3.90081781      3.34080311     -1.04027543
+H      5.60341127      3.07868594     -0.62923626 
+
+14
+-1537.397849441603 12.062466 12.30894 -9.2316 -7.2693 -8.958 0.1198 -1.4997 -0.097 8.42111 0.64546 5.2637264412 5.2637264412 0.751835207
+C      2.96353429     -1.11703791     -0.68069584
+C      2.30917653      0.00404603     -0.32912112
+C      2.91312621      1.29755666     -0.01679687
+C      2.15494237      2.35613643      0.33165532
+C      4.42986434      1.43482625     -0.05768410
+C      4.99542662      1.35362360     -1.40555587
+N      5.46005146      1.29822642     -2.47388084
+H      2.41804901     -2.03648145     -0.89198569
+H      4.04849332     -1.15936357     -0.78931539
+H      1.21706318     -0.02181565     -0.25967625
+H      1.06819535      2.27387593      0.38363952
+H      2.59337330      3.32576507      0.56975946
+H      4.89935347      0.64748047      0.55546739
+H      4.72729056      2.39989173      0.37727028 
+
+14
+-1529.3173541446765 11.78859 12.63802 -10.1654 -8.0352 -9.779 0.7575 -0.9441 0.441 9.37534 -0.10901 5.3130976664 6.3030266876 0.444530037
+C      1.40955364     -0.30104131     -1.08258451
+C      2.27537742     -0.03268544     -0.10318371
+C      3.03590087      1.27879847      0.01315144
+C      2.66060687      2.02568041      1.28336877
+C      2.08278347      3.22855696      1.29036211
+C      4.48540003      1.02412762     -0.01108641
+N      5.63270463      0.81218983     -0.01433937
+H      0.87142870     -1.24866347     -1.11567245
+H      1.20813436      0.41397029     -1.88354719
+H      2.46994415     -0.76307999      0.68729202
+H      2.79764692      1.91096392     -0.85876251
+H      2.88400057      1.50666116      2.21979932
+H      1.85915520      3.76414362      0.36490991
+H      1.81380316      3.71956794      2.22589256 
+
+12
+-1369.1227917990082 10.999891 12.03623 -10.5078 -8.3238 -10.028 1.0963 -0.6735 0.568 9.56406 -0.08223 4.3601412704 6.5435099332 0.326792135
+C      1.42221944     -0.45607237      0.97620081
+C      2.32187600     -0.09911632      0.06049098
+C      3.01999475      1.26030786      0.01119111
+C      2.64835374      2.17911502      1.08845460
+C      2.32739130      2.94181516      1.97274274
+C      4.48388890      1.07060127     -0.03956689
+N      5.63407378      0.89542950     -0.11005992
+H      0.95262682     -1.43878700      0.93795885
+H      1.13094021      0.21813966      1.78344390
+H      2.61805241     -0.77788732     -0.74277072
+H      2.74766428      1.73774898     -0.95160441
+H      2.05056837      3.61866555      2.75551895 
+
+12
+-1379.8141847617358 12.117347 13.28187 -9.3638 -7.309 -8.909 0.3292 -1.3399 0.283 8.48392 0.26222 3.8858080302 6.0412550458 0.462407302
+C      0.91464761     -0.02339040     -0.00001989
+C      2.25915553      0.04748887      0.00000235
+C      3.00025173      1.25645440      0.00000152
+C      3.67399257      2.27075500      0.00000073
+C      4.47778042      3.48842444     -0.00000018
+C      3.67441194      4.71768388     -0.00000006
+N      3.05677175      5.70576401      0.00000004
+H      0.40965378     -0.98874125      0.00001459
+H      0.29789915      0.87576366      0.00001937
+H      2.84952210     -0.87452842      0.00000272
+H      5.13947614      3.51359762     -0.88300406
+H      5.13947728      3.51359820      0.88300286 
+
+14
+-1536.0497180249956 12.630036 13.22169 -9.9657 -7.8831 -9.529 -0.0092 -1.6905 -0.282 9.06604 0.81476 5.0140930288 10.7918902232 0.402878203
+C      1.55702944     -0.67047084      1.11459517
+C      2.30809462     -0.33389569      0.06111139
+C      3.01313435      0.99185717     -0.10254098
+C      4.50312437      0.82617976     -0.16184790
+C      5.26615800      1.17478029     -1.21641579
+C      6.67781818      0.99635587     -1.24691958
+N      7.83943312      0.86497396     -1.30266747
+H      1.07072624     -1.64464956      1.17759962
+H      1.39812153      0.01954011      1.94735030
+H      2.45094116     -1.05133854     -0.75390287
+H      2.75624948      1.64140058      0.75178223
+H      2.66125805      1.49645114     -1.01790563
+H      4.98083068      0.37367078      0.71225242
+H      4.82075079      1.62301495     -2.10944092 
+
+14
+-1534.408637205872 11.936263 12.45499 -10.0244 -7.8808 -9.622 0.0428 -1.6822 -0.247 9.2095 0.76221 5.051313626 6.7586504404 0.268788754
+C      1.28979432     -0.10435674     -1.15025682
+C      2.12790735      0.01259777     -0.11601894
+C      3.03102945      1.19569486      0.12177722
+C      4.50283273      0.81579727      0.09730205
+C      5.30355652      0.83854249      1.17904858
+C      5.02872000      0.40356625     -1.17160141
+N      5.42755235      0.09005819     -2.22522916
+H      0.65867670     -0.98513431     -1.27344077
+H      1.20957274      0.67623026     -1.91065473
+H      2.19663495     -0.79345886      0.62238054
+H      2.81913378      1.64221482      1.10636044
+H      2.84057154      1.96597560     -0.64198938
+H      4.91414667      1.15695772      2.14683254
+H      6.35154090      0.54701467      1.12065983 
+
+12
+-1379.8781981272766 12.533392 13.41303 -10.3015 -8.1611 -9.732 0.3355 -1.4633 0.037 9.32466 0.30974 3.5843236726 10.4744984618 1.037734963
+C      1.64013550     -0.57173894      1.05878056
+C      2.46251488     -0.13779490      0.10133398
+C      3.19872207      1.18467573      0.16012979
+C      4.63841798      1.03041456      0.03758436
+C      5.84398526      0.87835277     -0.07486660
+C      7.19171820      0.71347882     -0.20170421
+N      8.35233081      0.57065193     -0.31401589
+H      1.11853417     -1.52459966      0.96533924
+H      1.45812058      0.00866221      1.96644863
+H      2.63857271     -0.73956245     -0.79458798
+H      2.96682051      1.70690093      1.10298370
+H      2.85201733      1.84256900     -0.65771558 
+
+16
+-1678.6371094230005 11.572697 12.55911 -9.9012 -7.7356 -9.722 1.0134 -0.3362 1.144 9.1882 -0.58973 5.3738260092 6.6628340596 0.42397447
+C      0.79188081      0.25700648      0.82927613
+C      1.75843111      0.09796618     -0.08250737
+C      2.95308058      0.99438118     -0.24195479
+C      4.28799029      0.27263017      0.01966801
+C      4.45272816     -0.20663886      1.47685600
+C      4.49390238      0.89637151      2.43362900
+N      4.52365751      1.79258378      3.18016170
+H     -0.05101558     -0.43265338      0.89430703
+H      0.81015988      1.08992836      1.53700986
+H      1.70186856     -0.75272871     -0.77358798
+H      2.86409635      1.86421433      0.42853957
+H      2.97853190      1.38779825     -1.27230742
+H      5.12406961      0.93959672     -0.23764732
+H      4.36913641     -0.61148977     -0.63242154
+H      5.37965447     -0.79011571      1.58626656
+H      3.61587755     -0.86684052      1.75612256 
+
+12
+-1379.3397200297954 12.13136 12.89485 -9.5719 -7.4747 -8.98 0.0706 -1.5596 0.032 8.57364 0.50893 4.0722953728 5.8049873242 0.231828182
+C      0.93539681     -0.05942000      0.04496466
+C      2.14937397      0.02076147      0.01590735
+C      3.56481524      0.06067611     -0.00550894
+C      4.28995803      1.16425224     -0.27335116
+C      5.79724489      1.17923100     -0.25751213
+C      6.36864099      1.65913286     -1.51786807
+N      6.81717694      2.04629315     -2.52226572
+H     -0.13380405     -0.11776442      0.06337472
+H      4.07917498     -0.88180296      0.21538156
+H      3.78809175      2.10599018     -0.50619513
+H      6.19589764      0.17446726     -0.04965827
+H      6.16381282      1.84332310      0.54516112 
+
+10
+-1205.9683269026998 10.582553 11.97095 -10.8865 -8.5527 -10.11 0.9309 -0.4657 0.913 9.80463 -0.58945 4.3596825222 9.086809954 0.131677341
+C      0.92936145     -0.00096642      0.03458052
+C      2.13836990      0.01292370     -0.00886274
+C      3.60904236      0.01738543     -0.04634537
+C      4.14877266     -0.71470075     -1.20262005
+C      4.59800297     -1.32892300     -2.14321112
+C      4.13841349      1.39985229      0.00334071
+N      4.56838172      2.48025347      0.06971398
+H     -0.14114578     -0.01198130      0.07164171
+H      3.97503448     -0.48097287      0.87366186
+H      4.99520674     -1.87115055     -2.97730949 
+
+10
+-1223.5364412098647 12.150306 13.17789 -9.8893 -7.7438 -9.135 0.3745 -1.344 0.465 8.75922 -0.11088 3.2371380754 7.9775816036 1.95780716
+C      0.87664352     -0.03013918      0.00000000
+C      2.09627952     -0.01042167      0.00000000
+C      3.45516594      0.00825349      0.00000000
+C      4.67548032      0.02347282      0.00000000
+C      6.13228451      0.02400372      0.00000000
+C      6.71434364      1.37282388      0.00000000
+N      7.20030211      2.43168246      0.00000000
+H     -0.19381535     -0.04442800      0.00000000
+H      6.51451790     -0.51521876     -0.88397388
+H      6.51451790     -0.51521876      0.88397388 
+
+12
+-1378.1871123512196 11.897021 12.80945 -10.2683 -8.0914 -9.674 -0.0538 -1.761 -0.295 9.24232 0.81632 4.3657826334 10.7490406616 0.99253277
+C      0.93326862     -0.08400327     -0.08803863
+C      2.14326905     -0.04075041     -0.01854731
+C      3.59993226      0.03889220      0.05785629
+C      4.09732550      1.45963029      0.01837920
+C      4.91671022      1.98628796      0.94643215
+C      5.39732886      3.32446413      0.88694077
+N      5.81314550      4.41786877      0.86436403
+H     -0.13562733     -0.12996912     -0.13815508
+H      4.03066321     -0.51229704     -0.79839473
+H      3.95963725     -0.46713042      0.96819105
+H      3.76129514      2.07452551     -0.82007261
+H      5.25378173      1.39359140      1.80184486 
+
+10
+-1219.9259650389715 11.802325 13.00134 -10.557 -8.3143 -9.885 0.2671 -1.5776 0.029 9.50457 0.30884 3.6055376772 8.0466790014 0.808980718
+C      0.94581272     -0.06301414      0.00000000
+C      2.15507619      0.00202395      0.00000000
+C      3.61708658      0.06684668      0.00000000
+C      4.13423243      1.43036371      0.00000000
+C      4.57563941      2.56600870      0.00000000
+C      5.07045325      3.83726495      0.00000000
+N      5.49824685      4.93085843      0.00000000
+H     -0.12349501     -0.12344009      0.00000000
+H      4.01447380     -0.46612110     -0.88203773
+H      4.01447380     -0.46612110      0.88203773 
+
+14
+-1522.3680483937253 11.296865 12.64692 -10.499 -8.1332 -10.136 0.7348 -0.3481 1.398 9.72465 -1.05129 4.3577483406 10.6222029836 0.590499541
+C      4.30607576     -0.66119802      2.66839229
+C      4.20327748     -0.41834599      1.48337883
+C      4.09690833     -0.09245008      0.06576189
+C      4.36748410      1.39317193     -0.24295640
+C      5.79003530      1.81778391      0.16494059
+C      6.05463622      3.22479688     -0.11266300
+N      6.24842307      4.35115997     -0.34600630
+H      4.38632891     -0.88760606      3.71217278
+H      3.08745072     -0.35217323     -0.29143452
+H      4.79742580     -0.72576784     -0.50560456
+H      3.63558358      2.01888581      0.28761693
+H      4.22571003      1.56538566     -1.31969431
+H      6.54105959      1.21324858     -0.36963625
+H      5.94095111      1.63592847      1.24105201 
+
+20
+-1942.620703565279 13.217733 14.51636 -8.9425 -6.6841 -9.01 0.9695 0.0139 1.431 8.49994 -0.7964 6.2770268234 6.2770268234 0.405644392
+C      0.51146910      0.63461146     -0.74685424
+C      2.00702788      0.69242141     -0.82450363
+C      2.80980676      1.25033067      0.09272054
+C      4.31053182      1.29483812      0.03238428
+C      4.90228144      2.71354015      0.11836587
+C      4.55704706      3.59413093     -1.08140069
+N      5.22742263      4.90115377     -0.97174995
+H      0.04477855      1.13782312     -1.60939528
+H      0.13633465      1.11015785      0.17044169
+H      0.15121065     -0.40705647     -0.76294529
+H      2.46735999      0.23297387     -1.70879958
+H      2.35105311      1.71298758      0.97802343
+H      4.65850463      0.80183918     -0.89151795
+H      4.71907309      0.70430672      0.87164885
+H      5.99876701      2.65511735      0.20554929
+H      4.54229278      3.20110658      1.04335386
+H      3.45530695      3.65723060     -1.18064610
+H      4.92715638      3.10629483     -1.99974144
+H      4.84940849      5.41246333     -0.16870589
+H      5.01081704      5.47172893     -1.79258779 
+
+14
+-1541.5616586513743 12.65874 12.68668 -9.1037 -7.1732 -8.787 -0.2046 -1.7664 -0.443 8.33191 1.12205 4.790013131 4.790013131 0.623529134
+C      1.03929376     -0.32380170      0.40964087
+C      2.50046848     -0.04267407      0.32898502
+C      3.09679377      1.13402247     -0.01097514
+C      2.39896850      2.37216460     -0.36940660
+C      3.00469720      3.52754259     -0.69309553
+C      4.53298208      1.17401612     -0.02009028
+N      5.70018315      1.23794177     -0.03706914
+H      0.78011503     -1.17353172     -0.24183377
+H      0.40800394      0.52666280      0.12998385
+H      0.76837536     -0.63001873      1.43315872
+H      3.16201870     -0.87773954      0.57358881
+H      1.30851351      2.32632307     -0.36390007
+H      4.09216804      3.62016088     -0.71063690
+H      2.41938849      4.41039147     -0.94799984 
+
+20
+-1944.0747648249617 13.222485 14.46775 -8.781 -6.6305 -8.683 0.8894 -0.024 1.496 8.11 -0.80516 6.0304806624 6.0304806624 0.386975335
+C      0.52522554     -0.39869105      0.23694689
+C      1.97958913     -0.03418531      0.22500392
+C      2.54029384      1.17199541      0.00742708
+C      1.76090632      2.42931415     -0.28426015
+C      4.04454297      1.33037634      0.04057843
+C      4.56393653      2.17114204      1.21743437
+N      6.02662561      2.31140027      1.13411264
+H      0.31705096     -1.20259821     -0.48804979
+H     -0.13521375      0.44528097      0.00039390
+H      0.22545057     -0.78804349      1.22403003
+H      2.66443157     -0.86912398      0.41783050
+H      0.68884302      2.24609505     -0.42162519
+H      2.14249122      2.91502455     -1.19725001
+H      1.86811574      3.16644813      0.52821657
+H      4.39815610      1.80660102     -0.89097512
+H      4.51442604      0.33324253      0.08621515
+H      4.20293175      1.71558885      2.16213214
+H      4.13532484      3.18473142      1.16768384
+H      6.46875658      1.39884027      1.27716219
+H      6.36215541      2.90823103      1.89372259 
+
+20
+-1944.732191986599 13.065679 14.12351 -8.854 -6.7142 -8.736 0.8533 -0.093 1.519 8.15019 -0.81742 6.086286761 6.086286761 0.378063476
+C      0.84952441     -0.13849826      0.22923516
+C      2.34039386      0.02855369      0.25720129
+C      3.05250661      1.14428471      0.00906480
+C      2.45126282      2.47767691     -0.35312604
+C      4.57904003      1.15907183      0.06813904
+C      5.22860067     -0.06762140      0.71969980
+N      5.09210093      1.44980040     -1.29246949
+H      0.55461045     -0.89557952     -0.51578860
+H      0.31290100      0.78885623     -0.00573880
+H      0.47926368     -0.50268604      1.20157308
+H      2.88924651     -0.88156893      0.51837109
+H      1.37126354      2.43063649     -0.53483921
+H      2.94520031      2.87570600     -1.25139494
+H      2.62630626      3.20878939      0.45486747
+H      4.85392399      2.04116121      0.67884056
+H      5.04348418     -0.98152707      0.13433104
+H      4.86203522     -0.23288158      1.74416791
+H      6.31812180      0.07537570      0.77047338
+H      4.90320714      0.63970605     -1.89195406
+H      6.11065661      1.54786419     -1.25770351 
+
+16
+-1682.5285875782133 11.903029 13.06931 -9.4341 -7.3684 -9.163 0.8676 -0.3377 0.872 8.58852 -0.28806 5.3561580042 11.4588977074 0.29586788
+C      0.83998309     -0.24917273      0.19214890
+C      2.32552898     -0.06418970      0.17594153
+C      3.01391078      1.07077442     -0.04079608
+C      2.42171425      2.42150450     -0.32901016
+C      4.53585036      1.03470387      0.01807951
+C      5.16768926      1.42616977     -1.24411668
+N      5.65938453      1.73949269     -2.25466418
+H      0.53275051     -0.97721151     -0.57549216
+H      0.28603523      0.68046738      0.01421319
+H      0.51036211     -0.65970837      1.15993219
+H      2.90628250     -0.97477644      0.36438442
+H      1.32700608      2.40321039     -0.36350631
+H      2.78570014      2.80758709     -1.29460479
+H      2.72554132      3.15311463      0.43781462
+H      4.88965432      0.02713295      0.28276692
+H      4.90557653      1.72318106      0.79871908 
+
+12
+-1381.6013405012466 12.009126 12.41878 -9.4927 -7.5048 -9.018 -0.4369 -2.0278 -0.473 8.6158 1.111 4.0727045266 10.8740929412 0.428100347
+C      0.97610247     -0.25428828      0.09006167
+C      2.45005632     -0.07036165      0.10604522
+C      3.09407166      1.12548716      0.00387203
+C      2.42778667      2.37885423     -0.13354028
+C      1.88429964      3.45986523     -0.24707548
+C      4.53027217      1.16106032      0.03279011
+N      5.69863975      1.18775990      0.05533216
+H      0.68425326     -0.92443931     -0.73461845
+H      0.44130820      0.69683965     -0.01794234
+H      0.64386971     -0.74863065      1.01710254
+H      3.07374432     -0.96184899      0.20798605
+H      1.40592584      4.41270237     -0.34829322 
+
+18
+-1805.9714727719681 14.757104 15.01947 -8.204 -6.2393 -8.039 0.7896 -0.6763 0.435 7.60029 0.17751 4.901476545 4.901476545 0.785237439
+C      0.63425037      0.74873369      0.39382926
+C      2.10690490      0.56725554      0.57693444
+C      3.05504952      1.41620788      0.12825039
+C      4.48044730      1.22486481      0.31090161
+C      5.43212783      2.07474419     -0.12853384
+C      6.90392932      1.87999022      0.07184562
+N      7.61420001      1.96116962     -1.21810835
+H      0.11218248      0.78624810      1.36418007
+H      0.19352586     -0.09644243     -0.16047226
+H      0.40521712      1.67336008     -0.15405034
+H      2.42713684     -0.33002823      1.12066087
+H      2.74504498      2.31767231     -0.41492109
+H      4.78893497      0.32076141      0.85188252
+H      5.14357230      2.97368031     -0.68542636
+H      7.07372482      0.94012488      0.63549391
+H      7.29303159      2.70081466      0.70122605
+H      7.35496252      1.15996138     -1.79970997
+H      8.62342725      1.89865158     -1.06546252 
+
+14
+-1545.537399585891 14.301312 13.70761 -8.9139 -7.0588 -8.657 -0.5355 -2.0882 -0.758 8.14984 1.32198 4.4153646348 4.4153646348 0.846886106
+C      0.83045135     -0.27493686     -0.43268300
+C      2.31965010     -0.25514160     -0.36850043
+C      3.06017122      0.67086085      0.28163425
+C      4.49982433      0.64847002      0.31776887
+C      5.25814322      1.56985786      0.96837055
+C      6.67427135      1.52922790      0.99185439
+N      7.84559638      1.52076839      1.02817995
+H      0.43279443     -1.21549178     -0.01821382
+H      0.48251966     -0.23069726     -1.47747611
+H      0.38346412      0.56340660      0.11779527
+H      2.84511583     -1.06135132     -0.89390099
+H      2.55502997      1.48534860      0.81345910
+H      5.00433127     -0.16430870     -0.21362099
+H      4.79024675      2.39611731      1.51036294 
+
+18
+-1804.1220573429655 13.749938 14.17485 -8.3466 -6.3357 -8.269 0.8111 -0.6474 0.415 7.7309 0.15503 5.0729615816 5.0729615816 0.741370899
+C      1.29694000      2.90870088      0.10585651
+C      2.77091952      2.65290965      0.06124364
+C      3.33489750      1.42890470      0.11559429
+C      4.76290673      1.11453697      0.05717844
+C      5.17754103     -0.16984264      0.08497367
+C      5.74657606      2.26432405     -0.04235514
+N      7.14832535      1.83516925      0.02427752
+H      1.02734750      3.54861802      0.96229217
+H      0.72585311      1.97303183      0.18484298
+H      0.95701614      3.44246908     -0.79697160
+H      3.40862335      3.53941631     -0.02380827
+H      2.67114633      0.55933114      0.19764730
+H      4.45646127     -0.98571831      0.15936187
+H      6.23481420     -0.42065388      0.00733130
+H      5.47403429      3.01227649      0.72996096
+H      5.59437665      2.76508312     -1.01439888
+H      7.37436866      1.54194197      0.97852161
+H      7.75617231      2.62941137     -0.18273835 
+
+14
+-1542.304937485449 12.751001 12.84226 -9.0772 -7.1514 -8.795 -0.2456 -1.8384 -0.472 8.30799 1.12802 4.8131861144 4.8131861144 0.641643092
+C      0.86251886      0.07550453     -0.09665457
+C      2.34051611      0.07556110     -0.30389670
+C      3.20772291      0.87057265      0.35178243
+C      4.65772380      0.87671243      0.15379762
+C      5.50251319      1.69109553      0.83187407
+C      5.20314943     -0.03522584     -0.81561557
+N      5.62187602     -0.78492868     -1.60835931
+H      0.51199567     -0.92127473      0.21596940
+H      0.33620355      0.30405623     -1.03734828
+H      0.55103365      0.80635552      0.66161229
+H      2.73379925     -0.62760494     -1.04667184
+H      2.83856201      1.58108813      1.09843753
+H      5.11520388      2.39171777      1.57196226
+H      6.57655169      1.66838030      0.65822066 
+
+20
+-1943.1513235620826 13.282576 14.62235 -9.0421 -6.8396 -8.972 0.9451 -0.0128 1.461 8.4373 -0.81696 6.2743611244 6.2743611244 0.411977861
+C      0.76140427      0.92882095      0.11265107
+C      2.23431268      0.81661382      0.36723545
+C      3.19824333      1.27316896     -0.44386449
+C      4.67911011      1.15267848     -0.20429582
+C      5.35710476      0.34450682     -1.32272540
+C      5.31090406      2.55422879     -0.05698440
+N      6.74360651      2.46797927      0.26898124
+H      0.28849521     -0.06570586      0.06445892
+H      0.55383617      1.45109032     -0.83195725
+H      0.25480951      1.47497067      0.92491660
+H      2.53004397      0.31000088      1.29522847
+H      2.90689327      1.77512898     -1.37796326
+H      4.82752752      0.62048066      0.75471876
+H      5.15211181      0.79863225     -2.30566582
+H      4.98007565     -0.68743392     -1.34399672
+H      6.44549643      0.33074566     -1.17771248
+H      4.71489926      3.12510478      0.68226902
+H      5.21846904      3.08633314     -1.01976353
+H      6.85825944      2.14813976      1.23483596
+H      7.16611701      3.39764560      0.22713369 
+
+20
+-1945.362677649667 13.153434 14.25591 -9.0076 -6.8869 -9.001 0.8509 -0.0712 1.467 8.46304 -0.81419 6.2964802268 6.2964802268 0.390347846
+C      0.88039824      0.93111160     -1.02878626
+C      2.37620316      0.83152863     -1.06405783
+C      3.18891345      1.23170895     -0.07742600
+C      4.70350295      1.15736643     -0.03916576
+C      5.12088948      0.25539485      1.13983419
+C      5.31166149      0.61284899     -1.34382665
+N      5.17346166      2.52981630      0.28288797
+H      0.41291788     -0.06108212     -1.13640336
+H      0.50257008      1.54501452     -1.86242014
+H      0.52675297      1.37584079     -0.08821412
+H      2.80535997      0.39389198     -1.97213798
+H      2.75288908      1.67847937      0.82480510
+H      4.69550957      0.63370119      2.07938912
+H      6.21791964      0.24046354      1.24201984
+H      4.77695420     -0.77613117      0.98371208
+H      5.04441031      1.24854735     -2.20107629
+H      4.97862475     -0.41398897     -1.55972154
+H      6.40899352      0.59699333     -1.26321781
+H      4.93864854      3.15435327     -0.49425801
+H      6.19612906      2.52717118      0.35145345 
+
+16
+-1679.8453756969002 11.847348 13.19472 -9.7418 -7.6527 -9.489 0.9533 -0.2521 0.784 8.9588 -0.24995 5.33697737 6.2505186166 0.377312826
+C      0.78611997      0.08200478      0.08908899
+C      2.27354306      0.07208790      0.26055335
+C      3.09678294      1.01795759     -0.20616384
+C      4.60684555      1.04266611     -0.03668952
+C      5.20482640     -0.12231759      0.76905835
+C      5.24421943      1.13192483     -1.36009080
+N      5.74661593      1.19907080     -2.41113901
+H      0.45002901     -0.81237663     -0.45890228
+H      0.44491376      0.96970834     -0.46027202
+H      0.27595778      0.06128983      1.06489872
+H      2.68933843     -0.78025015      0.80744553
+H      2.68391185      1.86568651     -0.76289281
+H      4.86696218      1.98654054      0.47932892
+H      5.00119029     -1.08517540      0.28244199
+H      4.77485311     -0.13677712      1.77901215
+H      6.29215030     -0.00635036      0.85577228 
+
+16
+-1648.6761091915016 14.058494 15.29458 -8.4802 -6.3826 -8.188 0.8894 -0.602 0.707 7.7932 -0.10602 3.9002152034 5.7596704412 0.458456368
+C      0.87993117     -0.02160792      0.06641781
+C      2.37070934     -0.00928777      0.16227815
+C      3.15184380      1.02889691     -0.20600269
+C      4.56589325      1.05293694     -0.12238040
+C      5.78301233      1.11841576     -0.05933154
+C      7.23956905      1.17227182     -0.01784200
+N      7.73440851      2.56311847      0.03921529
+H      0.52979792     -0.85032070     -0.57067867
+H      0.48992368      0.91875953     -0.34709958
+H      0.42146610     -0.17939502      1.05633007
+H      2.85282534     -0.90783726      0.56039601
+H      2.67615003      1.93319499     -0.60450541
+H      7.62843412      0.58736746     -0.87825815
+H      7.59108038      0.65282503      0.89050986
+H      7.39869862      3.07115297     -0.78337220
+H      8.75570635      2.55368878     -0.02234654 
+
+12
+-1387.4392516522296 13.98646 13.96163 -9.3525 -7.4307 -8.903 -0.5829 -2.1777 -0.577 8.40433 1.07555 3.3739194306 10.7369768238 1.51960129
+C      0.93405870     -0.01241412      0.06444782
+C      2.42072100      0.01322777      0.15001533
+C      3.19159846      1.06471554     -0.21254769
+C      4.59571802      1.07630861     -0.12336673
+C      5.81901705      1.12527044     -0.05634746
+C      7.17532047      1.16868675      0.03161587
+N      8.34846302      1.20788870      0.10824729
+H      0.59636206     -0.83874034     -0.58131072
+H      0.52559102      0.92760182     -0.32831062
+H      0.49231353     -0.19987438      1.05622834
+H      2.91543636     -0.88371597      0.53474070
+H      2.72143029      1.97521517     -0.60103213 
+
+20
+-1944.8090221606556 13.23344 14.46436 -9.0383 -6.8488 -9.007 0.9254 0.0123 1.44 8.48862 -0.80479 6.2766796626 6.2766796626 0.402387115
+C      0.68649467      0.49314274      0.40750295
+C      2.16046878      0.63391469      0.63920350
+C      3.01167568      1.29442828     -0.15837816
+C      4.49053647      1.42047562      0.05790831
+C      4.99731119      2.87366230      0.15746696
+C      4.41551907      3.60374916      1.37466467
+N      6.47261665      2.85101262      0.11026503
+H      0.39484612     -0.56673557      0.32744896
+H      0.37148054      1.00370480     -0.51344095
+H      0.10758878      0.91164012      1.24693349
+H      2.56060935      0.14478402      1.53677697
+H      2.61304618      1.78314307     -1.05826179
+H      5.03332315      0.95268199     -0.78132883
+H      4.78141421      0.87202802      0.97236710
+H      4.66858427      3.40254578     -0.75616177
+H      4.73046392      3.10804825      2.30768676
+H      3.31537451      3.61249543      1.35490054
+H      4.76553983      4.64635489      1.40999364
+H      6.82526193      2.36928492      0.94488571
+H      6.82863471      3.80894886      0.17741688 
+
+16
+-1681.5209717990354 12.172462 13.66411 -9.6042 -7.5 -9.385 1.036 -0.1975 1.043 8.85234 -0.42804 5.3807940224 6.2878508012 0.439970754
+C      0.57751807      0.02794870     -0.17774023
+C      2.06683124      0.04557839     -0.32997847
+C      2.89794727      0.90141086      0.28069234
+C      4.38899620      0.91054917      0.11194671
+C      5.11810619      0.60188800      1.44325295
+C      6.57145384      0.64453490      1.31774829
+N      7.73161542      0.67700287      1.19896005
+H      0.22732310     -0.94960616      0.19008560
+H      0.07940051      0.19197215     -1.14671465
+H      0.23194383      0.80249228      0.52061552
+H      2.49743726     -0.70439131     -1.00556597
+H      2.47823903      1.65627239      0.95829343
+H      4.72739423      1.89682836     -0.24593260
+H      4.69211495      0.17323082     -0.64610730
+H      4.82744061     -0.39573496      1.80731496
+H      4.81659825      1.32336354      2.21942938 
+
+20
+-1942.3862219097123 12.948838 13.99889 -9.0463 -6.7847 -9.146 0.8798 -0.0709 1.42 8.53021 -0.78293 6.376475994 6.376475994 0.406739109
+C      2.47881241     -1.28794775     -1.60642287
+C      2.39954634     -0.65314718     -0.24224847
+C      1.58559532     -1.13247428      0.71176023
+C      3.25922011      0.57066566     -0.00980929
+C      4.77792253      0.34562792     -0.14072903
+C      5.34254592     -0.64821393      0.87302675
+N      6.80930347     -0.71822700      0.76049742
+H      2.23605594     -0.55579358     -2.39431128
+H      1.78664518     -2.13513181     -1.69723807
+H      3.49477639     -1.65465400     -1.82378505
+H      0.95128540     -2.00425447      0.53727984
+H      1.52631459     -0.66309993      1.69606286
+H      3.03880964      0.98063060      0.98917528
+H      2.96661322      1.34709329     -0.73940071
+H      5.29784411      1.30781751     -0.01104229
+H      5.02019708      0.00249975     -1.16220640
+H      4.83226899     -1.62475743      0.75272853
+H      5.10257888     -0.29569619      1.89073910
+H      7.06472281     -1.11710840     -0.14751620
+H      7.18051168     -1.36217878      1.46271965 
+
+18
+-1805.1527054338885 14.034848 14.27364 -8.451 -6.4736 -8.301 0.6258 -0.845 0.39 7.7572 0.17584 5.0769043364 5.0769043364 0.75592516
+C      3.99156566     -1.53562226     -0.26540464
+C      2.97204199     -0.50057034      0.13690217
+C      1.72657179     -0.85742591      0.52106024
+C      3.34750306      0.91303004      0.10823701
+C      4.54932338      1.41074161     -0.24650612
+C      4.88205683      2.87273136     -0.26834692
+N      6.08965737      3.13444647      0.53676584
+H      4.88833646     -1.47830339      0.37079022
+H      4.32470141     -1.38102446     -1.30350528
+H      3.57620169     -2.54789249     -0.18435383
+H      1.41859323     -1.90369691      0.55391836
+H      0.98628774     -0.10946181      0.81200954
+H      2.56008962      1.61771888      0.40354415
+H      5.36928889      0.74270532     -0.52915140
+H      3.98897013      3.45716431      0.03223830
+H      5.11994080      3.16944271     -1.30601132
+H      5.87915211      2.97938575      1.52609577
+H      6.36516784      4.11479112      0.44618790 
+
+14
+-1543.9483077683067 13.360086 13.01676 -9.1621 -7.306 -8.918 -0.6331 -2.2236 -0.824 8.34585 1.34704 4.5708182816 4.5708182816 0.768965325
+C      1.03705803      0.01132047      0.25011433
+C      2.51716804     -0.11485128      0.00086459
+C      3.06979419     -1.26221339     -0.45472691
+C      3.38388287      1.02647392      0.25536376
+C      2.96814796      2.23517397      0.71194838
+C      3.85843881      3.31504140      0.94304510
+N      4.56966392      4.22409864      1.14294828
+H      0.59718131      0.81013734     -0.36636613
+H      0.83126989      0.25966095      1.30254482
+H      0.51839674     -0.92552891      0.01379450
+H      2.46281648     -2.14471445     -0.66063451
+H      4.14364820     -1.34193481     -0.63185687
+H      4.44997474      0.88338077      0.05867043
+H      1.91505884      2.43217538      0.92457023 
+
+18
+-1800.2357521904232 12.913778 13.60427 -8.7245 -6.6344 -8.694 1.0197 -0.4461 0.797 8.1027 -0.30252 5.4136379138 6.6549361514 0.469249892
+C      2.79137041     -1.04491727      1.34704999
+C      2.38142905     -0.23787051      0.13748245
+C      1.42948861     -0.67529878     -0.70694317
+C      3.07772353      1.05845827     -0.08661267
+C      2.40491460      2.17909961     -0.40180907
+C      4.58757831      1.04406765      0.07305016
+N      5.21972349      2.30424195     -0.32392291
+H      3.84247503     -1.36779572      1.28187271
+H      2.16987881     -1.94368965      1.44855541
+H      2.69700352     -0.44870594      2.26874861
+H      0.90087620     -1.61325698     -0.52485780
+H      1.16427527     -0.11300671     -1.60304870
+H      1.31705174      2.17540450     -0.47512650
+H      2.93249170      3.12158812     -0.55008946
+H      4.97268979      0.15441233     -0.47019581
+H      4.82789701      0.87088380      1.13655364
+H      5.12998759      2.43041665     -1.33592286
+H      6.22051535      2.26186869     -0.12430402 
+
+14
+-1540.8068010034985 12.17587 12.32649 -9.3369 -7.4068 -9.051 -0.3671 -1.9744 -0.549 8.5055 1.16722 4.9636803212 4.9636803212 0.58335331
+C      1.07284282     -0.14612897      0.44863149
+C      2.47231341     -0.06764585     -0.09927650
+C      3.05651989     -1.11592584     -0.71347466
+C      3.19583556      1.21355381      0.05967694
+C      2.68536787      2.31417282      0.66183043
+C      4.53358091      1.28878613     -0.46380327
+N      5.61898521      1.33951484     -0.89400752
+H      0.41397517      0.59730449     -0.02591877
+H      1.05557490      0.04551678      1.53247706
+H      0.64651676     -1.14070465      0.27185163
+H      2.52384278     -2.05981819     -0.83109446
+H      4.07059131     -1.05776455     -1.11003862
+H      1.67845302      2.31406551      1.07545477
+H      3.26964039      3.22853368      0.74710148 
+
+20
+-1942.5058503411221 12.785737 13.65881 -9.0651 -6.9378 -9.12 0.8439 -0.1259 1.464 8.47286 -0.79981 6.3755708962 6.3755708962 0.397077598
+C      2.71903643     -0.93284495      1.22636219
+C      2.47070058     -0.04245861      0.03433971
+C      1.65037630     -0.43895053     -0.95018049
+C      3.17753133      1.32412952      0.03672346
+C      3.21875061      1.96683468     -1.35574306
+C      2.42384993      2.26936066      1.00589158
+N      4.59127900      1.10956899      0.44444910
+H      3.77324402     -1.24871703      1.26196084
+H      2.09748298     -1.83629657      1.17561849
+H      2.49580407     -0.42481336      2.17873429
+H      1.13954391     -1.40235041     -0.89538776
+H      1.45944594      0.16312680     -1.83787275
+H      3.71985594      1.30374597     -2.07312339
+H      3.77797962      2.91420369     -1.30934444
+H      2.21221937      2.20190425     -1.72532620
+H      2.41140934      1.86644481      2.02929300
+H      1.38114170      2.42102598      0.68917618
+H      2.92276772      3.25057985      1.03715143
+H      4.63013494      0.84510661      1.43291622
+H      5.08447627      2.00500964      0.38070159 
+
+16
+-1647.975591730382 13.518483 14.60152 -8.6367 -6.5608 -8.404 0.8355 -0.6801 0.725 7.89554 -0.14622 3.8765338774 5.8794285186 0.465589543
+C      0.99759329      0.03605832      0.04982426
+C      2.50617543     -0.06936375      0.04733135
+C      3.15116777     -1.25545323      0.07462009
+C      3.21916022      1.16556347      0.01995511
+C      3.76840358      2.25480380      0.01207324
+C      4.46142204      3.53734160     -0.02067414
+N      3.52641826      4.65988156     -0.23581388
+H      0.65211090      0.61024629      0.92186281
+H      0.53540343     -0.95891967      0.07305700
+H      0.64498236      0.56969907     -0.84506555
+H      2.59220235     -2.19165190      0.10264942
+H      4.23944616     -1.30986602      0.07323895
+H      5.27333510      3.46887310     -0.77466942
+H      4.95866209      3.69600484      0.95213430
+H      3.04906525      4.53070427     -1.13180305
+H      4.06349177      5.52713825     -0.31551048 
+
+12
+-1385.7134173358738 13.251427 13.37374 -9.5506 -7.6173 -9.134 -0.6362 -2.2694 -0.608 8.5678 1.03984 3.3650172358 10.6814806902 1.47551114
+C      0.99716661      0.04371055     -0.03050247
+C      2.50416846     -0.04763273      0.04708018
+C      3.17393260     -1.21349779      0.18206633
+C      3.21584574      1.17734783     -0.02833464
+C      3.77899132      2.26299624     -0.09876642
+C      4.42281622      3.45920271     -0.17617834
+N      4.97725413      4.49388354     -0.24394659
+H      0.60423669      0.66586320      0.78618194
+H      0.54705378     -0.95412801      0.03586437
+H      0.68557138      0.51164388     -0.97517496
+H      2.63382375     -2.15897285      0.24095112
+H      4.26150931     -1.24212658      0.23516948 
+
+16
+-1680.9170584968547 11.903436 13.10374 -9.6988 -7.6119 -9.519 1.141 -0.3607 1.032 8.89061 -0.41385 5.3781283234 6.3944663626 0.447308341
+C      0.67529578     -0.09688265     -0.05984025
+C      2.11864225     -0.50585655      0.07444974
+C      2.48755537     -1.78650120      0.22930210
+C      3.15142215      0.59636332      0.00707751
+C      3.08426772      1.55482206      1.22344860
+C      4.09204365      2.60740239      1.15452057
+N      4.90714781      3.43894798      1.08219021
+H      0.35946766      0.57017330      0.75833750
+H      0.00941936     -0.96894684     -0.05355120
+H      0.51112545      0.45743771     -0.99815650
+H      1.75054823     -2.59087460      0.26807926
+H      3.53832134     -2.07053215      0.31432511
+H      3.00510251      1.19186483     -0.90941811
+H      4.16017242      0.16377978     -0.04572788
+H      3.23340668      0.98849494      2.15613143
+H      2.09540162      2.03335768      1.29220191 
+
+14
+-1542.9680356188417 13.558906 13.05273 -9.0089 -7.1303 -8.719 -0.552 -2.1196 -0.731 8.22446 1.2602 4.4916656192 4.4916656192 0.809184558
+C      0.91182603      0.40205674     -0.29665178
+C      2.35515366      0.06636249     -0.01956216
+C      2.85554806     -1.15602551      0.32072174
+C      2.10315522     -2.37787398      0.48708686
+C      2.67997422     -3.55176073      0.81751699
+C      3.27045548      1.15823623     -0.13394927
+N      3.98662179      2.07940499     -0.23527425
+H      0.56184119      1.18702386      0.38974294
+H      0.25892246     -0.47007898     -0.18737727
+H      0.79931091      0.79516659     -1.31791001
+H      3.93433690     -1.22937458      0.48585037
+H      1.02081542     -2.34669548      0.33836389
+H      3.75791433     -3.63007299      0.97524729
+H      2.09121434     -4.46095863      0.93718466 
+
+12
+-1384.5258422292702 12.663974 12.54454 -9.4076 -7.4783 -8.945 -0.6882 -2.3156 -0.686 8.52882 1.16459 3.9216523828 11.0145566806 0.515193011
+C      0.93965780      0.14159993     -0.06793366
+C      2.43520280     -0.00697107     -0.05571490
+C      3.09726781     -1.19553172      0.03360429
+C      2.46647188     -2.45314720      0.12687012
+C      1.96806882     -3.56178429      0.20781554
+C      3.20251864      1.19397033     -0.14570627
+N      3.79188882      2.20261405     -0.22151511
+H      0.60768436      0.76269660      0.77650059
+H      0.45670528     -0.83955785     -0.00248892
+H      0.60986702      0.64611013     -0.98757051
+H      4.19034211     -1.19173859      0.03411230
+H      1.52479466     -4.53427029      0.27983653 
+
+18
+-1802.762353778131 13.930029 14.06826 -8.454 -6.4596 -8.265 0.5569 -0.91 0.342 7.7133 0.22466 4.9910936258 4.9910936258 0.726383171
+C      1.01613298      0.07698067      0.18241214
+C      2.51358506     -0.10739425      0.22775390
+C      3.02440364     -1.45376127      0.48712483
+C      2.27171783     -2.54219176      0.74165388
+C      3.32757020      0.96196467      0.03526903
+C      4.82614858      1.01748465      0.05277238
+N      5.30925405      1.72496605     -1.14884442
+H      0.75541559      1.11653739     -0.05218248
+H      0.55405771     -0.18154067      1.14841150
+H      0.55757834     -0.57448321     -0.57776387
+H      4.11019200     -1.57995882      0.46919941
+H      1.18228362     -2.50193119      0.78756128
+H      2.73473766     -3.51350449      0.91746958
+H      2.86096130      1.93131716     -0.17249005
+H      5.26673014      0.01411029      0.19498321
+H      5.13928774      1.61899400      0.92557292
+H      5.11234156      1.15818618     -1.97770500
+H      6.32528199      1.83258458     -1.10415823 
+
+14
+-1544.3121536473755 12.949935 12.63454 -9.1613 -7.2816 -8.884 -0.5917 -2.1736 -0.73 8.31815 1.25765 4.53664774 4.53664774 0.663969727
+C      0.83504407      0.22265508     -0.16628847
+C      2.32799707      0.05575082     -0.19630138
+C      2.90147017     -1.26369341     -0.43553872
+C      2.18869817     -2.38753114     -0.63941057
+C      3.13268400      1.14079323      0.00069193
+C      4.55043697      1.09388647     -0.00796443
+N      5.72207841      1.08704214     -0.00942831
+H      0.55255022      1.26502113      0.02261752
+H      0.38697572     -0.40418243      0.61940469
+H      0.38722250     -0.08854511     -1.12211147
+H      3.99373676     -1.31692821     -0.44509514
+H      1.09762747     -2.39523168     -0.64087918
+H      2.68726412     -3.34112716     -0.81225154
+H      2.69424436      2.12492026      0.17916506 
+
+22
+-2084.7558413433417 13.138366 14.86478 -9.2552 -6.9128 -10.624 0.9208 -0.0131 3.008 9.98393 -2.73853 8.764198382 11.189054577 0.121174883
+C      3.15075870     -1.28665380      1.75748973
+C      2.73193240     -0.85516911      0.34589403
+C      1.21410066     -0.98936078      0.17068760
+C      3.18865839      0.57603695      0.00901278
+C      4.70512755      0.78633908     -0.03020890
+C      5.09636153      2.19948691     -0.46169955
+N      6.56024902      2.34300664     -0.52056889
+H      4.24186810     -1.27386197      1.88831083
+H      2.80351872     -2.30735507      1.97661203
+H      2.71217644     -0.61581104      2.51508086
+H      3.21781086     -1.53784572     -0.37681617
+H      0.67863469     -0.32405164      0.86786482
+H      0.87781736     -2.01809639      0.36918338
+H      0.90217272     -0.72318000     -0.85057259
+H      2.73587081      1.27353377      0.73901067
+H      2.76841226      0.85224153     -0.97479585
+H      5.17241645      0.06667488     -0.72359166
+H      5.14143597      0.58803516      0.96465707
+H      4.59909685      2.93063610      0.21024091
+H      4.70386446      2.38920545     -1.47512975
+H      6.95193737      2.25999818      0.42202586
+H      6.80566869      3.28137088     -0.84478720 
+
+20
+-1944.8618753111302 13.357435 14.61728 -8.785 -6.6453 -8.682 0.8719 -0.0485 1.5 8.11574 -0.81026 6.03749827 6.03749827 0.388257908
+C      0.75007636      0.23390084     -0.17735837
+C      2.17406267     -0.25746075     -0.11457083
+C      2.32806877     -1.74571215     -0.28647026
+C      3.19266333      0.60506873      0.06876542
+C      4.66344690      0.31808422      0.15153994
+C      5.27754164      0.76977524      1.48467167
+N      6.73976712      0.60295515      1.46235166
+H      0.68693886      1.32144508     -0.03929350
+H      0.13027311     -0.24900256      0.59673840
+H      0.28781061     -0.01710865     -1.14680190
+H      1.72558316     -2.28602284      0.46263434
+H      3.36571190     -2.08891421     -0.19838913
+H      1.94941157     -2.06207693     -1.27305620
+H      2.92917470      1.66535934      0.17528034
+H      5.19665176      0.85269965     -0.65443874
+H      4.87169398     -0.75362450      0.00294308
+H      4.76931942      0.23155995      2.31060881
+H      5.06638075      1.84221290      1.63043358
+H      6.97088271     -0.39392028      1.42003455
+H      7.14216069      0.94610179      2.33766716 
+
+20
+-1944.0718749158755 13.218511 14.11504 -8.5504 -6.452 -8.41 0.8439 -0.1407 1.538 7.82061 -0.79918 5.8130960086 11.282973972 0.2562495
+C      0.92053411     -0.13076182      0.16570603
+C      2.42649853     -0.07224805      0.07262274
+C      3.05155689     -1.44735680      0.09090118
+C      3.12476260      1.08516234     -0.01951089
+C      2.49701115      2.45625528     -0.09939850
+C      4.63901140      1.13708140     -0.06385036
+N      5.10702465      1.52654446     -1.41247969
+H      0.44844286      0.84851454      0.29876119
+H      0.61866676     -0.76490325      1.01593646
+H      0.48912175     -0.59972637     -0.73550803
+H      2.59051561     -2.08060757     -0.68557225
+H      2.85722953     -1.95286144      1.05225417
+H      4.13396770     -1.45056560     -0.07761930
+H      1.43812541      2.44443804     -0.38066110
+H      3.04002068      3.05317046     -0.84723318
+H      2.58672992      2.98696849      0.86437653
+H      5.07977406      0.19613452      0.30790311
+H      4.97346304      1.92960389      0.62876830
+H      4.90111902      0.77025964     -2.07064496
+H      6.12388433      1.63899784     -1.40705147 
+
+16
+-1686.2326806057492 12.171176 12.94634 -9.1957 -7.2133 -9.004 0.535 -1.0756 0.072 8.4552 0.51326 4.9405073378 4.953674651 0.270232186
+C      0.93740261     -0.16728422     -0.00679121
+C      2.43295524     -0.05468333     -0.00403477
+C      3.18480723     -1.36576404     -0.00972289
+C      3.10068117      1.13170410      0.00090862
+C      2.50639427      2.52067741      0.00412344
+C      4.53133820      1.09784080      0.00248444
+N      5.70266245      1.09698637      0.00329453
+H      0.41423345      0.79446955     -0.00083661
+H      0.60389093     -0.74563150      0.87027519
+H      0.60562441     -0.73408409     -0.89211710
+H      2.49480553     -2.21853985      0.01261046
+H      3.85763962     -1.44560987      0.85676529
+H      3.81545772     -1.45995493     -0.90626792
+H      1.41191932      2.50206510     -0.00952708
+H      2.85061501      3.08987341     -0.87190789
+H      2.82926285      3.07733509      0.89631350 
+
+16
+-1682.331022742594 12.000269 13.24316 -9.4658 -7.4104 -9.173 0.7893 -0.2963 0.853 8.58872 -0.26645 5.3500702916 11.8456968316 0.42299912
+C      0.84301395      0.00055256      0.08323581
+C      2.33712561     -0.18541344      0.02945589
+C      2.79804029     -1.60806902      0.19498692
+C      3.14403457      0.87485860     -0.15507739
+C      4.65433233      0.86610879     -0.21509854
+C      5.16457695      1.39628448     -1.48136129
+N      5.56222692      1.82299778     -2.49156118
+H      0.55516063      1.05200935     -0.04270326
+H      0.43788841     -0.35766494      1.04348779
+H      0.34942523     -0.59010772     -0.70551155
+H      2.34271339     -2.24705124     -0.57853673
+H      2.46391340     -2.00894794      1.16558270
+H      3.88525831     -1.73503594      0.13457691
+H      2.68893598      1.86214121     -0.27551582
+H      5.06695185     -0.14313816     -0.07770457
+H      5.07294217      1.48908562      0.59427430 
+
+16
+-1677.6120889824638 11.599904 12.58688 -10.1156 -7.9811 -9.883 1.3647 -0.2883 0.97 9.31753 -0.37815 5.3488924246 6.6524192356 0.428584835
+C      0.96699035      0.01234128      0.14456573
+C      2.50928779     -0.03747535     -0.00550215
+C      3.13900900     -0.75591153      1.21554881
+C      2.87166187     -0.78705837     -1.27896531
+C      3.55169608     -0.30863967     -2.32328362
+C      3.02059282      1.34144307     -0.05370809
+N      3.42008014      2.43716695     -0.07842622
+H      0.50927262      0.53704903     -0.70330951
+H      0.68505441      0.52563059      1.07362926
+H      0.57181363     -1.01265529      0.17758994
+H      2.86531786     -0.24515254      2.14845162
+H      4.23274614     -0.78041528      1.13259144
+H      2.76733111     -1.78921118      1.26063048
+H      2.51169224     -1.82177441     -1.28498982
+H      3.92313230      0.71811609     -2.34571035
+H      3.75681164     -0.93687338     -3.19039221 
+
+22
+-2084.251515735934 12.996728 14.3652 -9.2078 -6.9045 -10.609 0.8546 -0.077 2.841 9.97402 -2.49908 8.742376846 10.6322210524 0.132050958
+C      0.99057291      0.05515367      0.01135803
+C      2.52265548     -0.09949828      0.00127994
+C      2.95315068     -0.85200823      1.27430364
+C      2.92824282     -0.91328190     -1.24225600
+C      3.13913753      1.32107879     -0.03400788
+C      4.66534513      1.42598226     -0.04789819
+N      5.06224441      2.84582790     -0.02929751
+H      0.64024939      0.58601801     -0.88753753
+H      0.65547488      0.62582043      0.89118826
+H      0.49545557     -0.92787252      0.03681877
+H      2.68906106     -0.28196566      2.17860409
+H      4.03698076     -1.03787741      1.29575457
+H      2.45011864     -1.82941265      1.33478827
+H      2.65612510     -0.38261109     -2.16830544
+H      2.41374253     -1.88670871     -1.25162578
+H      4.00958887     -1.11118481     -1.27071735
+H      2.77225544      1.89307237      0.83524653
+H      2.74817475      1.84042013     -0.92936867
+H      5.07407200      0.86577160     -0.91222466
+H      5.08178207      0.96039491      0.85985380
+H      4.74012129      3.30066043     -0.88877612
+H      6.08220868      2.92133079     -0.03828078 
+
+18
+-1825.2194449608082 11.699482 12.96731 -11.3282 -9.0199 -11.753 0.6916 -0.3104 1.472 11.30274 -1.08967 5.364812227 10.6456611348 0.166829761
+C      0.80747654      0.25528504      0.01032007
+C      2.32665441      0.01903061      0.01395759
+C      2.73511729     -0.74668867      1.28268709
+C      2.73715571     -0.77270728     -1.23802724
+C      3.01494244      1.41695251      0.00003832
+C      4.47333236      1.35986328      0.00144483
+N      5.63861004      1.29944838      0.00267600
+H      0.48891066      0.80797159     -0.88675969
+H      0.48752999      0.82644366      0.89525924
+H      0.27163845     -0.70498440      0.01986579
+H      2.44282553     -0.19818565      2.19120004
+H      3.82174777     -0.91070540      1.31861552
+H      2.24319668     -1.72981952      1.31049720
+H      2.44647402     -0.24300457     -2.15813669
+H      2.24514280     -1.75614827     -1.24640999
+H      3.82382235     -0.93753108     -1.26872818
+H      2.69537054      1.99954761      0.87962001
+H      2.69638241      1.98138216     -0.89166990 
+
+14
+-1517.4832530461672 11.195543 12.45468 -10.6108 -8.3322 -10.214 0.9769 -0.2679 1.137 9.77619 -0.80225 4.3494164814 10.8155963464 0.807760872
+C      0.95740633      0.00173334     -0.01183478
+C      2.50951904     -0.03217954      0.00508869
+C      3.02463781     -0.72724178      1.29443378
+C      3.01173943     -0.73791404     -1.18362439
+C      3.40369578     -1.34872793     -2.15440034
+C      3.01184039      1.35947301     -0.01427774
+N      3.38462234      2.46418289      0.00778221
+H      0.59015169      0.50084371     -0.91619572
+H      0.58646956      0.53986083      0.87004825
+H      0.57732835     -1.02756211      0.00517776
+H      2.65727583     -0.19151695      2.17924716
+H      4.12062954     -0.74315826      1.31525230
+H      2.65387061     -1.75983430      1.31601695
+H      3.75807329     -1.88336888     -3.01219415 
+
+20
+-1943.3152370304158 13.409288 14.68554 -9.1625 -6.9273 -8.994 1.0019 -0.0559 1.463 8.44309 -0.80815 6.2946204368 6.2946204368 0.403909833
+C      0.89305685     -0.18349003     -0.01061793
+C      2.42844329     -0.10706313     -0.07956438
+C      2.96949401     -1.04616963     -1.17201209
+C      2.88099039      1.30959910     -0.31564572
+C      3.64832291      2.03525906      0.50900383
+C      4.08165956      3.44857710      0.24758058
+N      3.66358288      4.32475898      1.35769091
+H      0.49830941      0.45354012      0.79329606
+H      0.56052167     -1.21634347      0.17256289
+H      0.44225923      0.14990557     -0.95908850
+H      2.83572899     -0.43641211      0.89254407
+H      2.59685860     -0.74691492     -2.16469432
+H      2.64534384     -2.08224886     -0.99179642
+H      4.06785109     -1.02897037     -1.20462402
+H      2.54083500      1.76615164     -1.25663122
+H      3.98527631      1.60611526      1.46032085
+H      3.71455666      3.76205892     -0.75075970
+H      5.18457289      3.48747657      0.20794315
+H      2.64234964      4.38961737      1.37288018
+H      4.01569676      5.27285283      1.20669180 
+
+16
+-1682.3735874262388 12.491634 13.43242 -9.8628 -7.8682 -9.613 0.2339 -1.4572 -0.094 9.09183 0.62483 5.0114769242 10.6638746782 0.460871031
+C      0.82295098     -0.17573707     -0.10121910
+C      2.35483936     -0.06472382      0.01054865
+C      3.04644404     -0.83538119     -1.12931926
+C      2.77383312      1.37428316     -0.00633020
+C      3.42185108      1.99990162      0.99581661
+C      3.80290828      3.37002262      0.94184540
+N      4.12866503      4.49416308      0.92583497
+H      0.32140328      0.34624573      0.72495332
+H      0.51539351     -1.23112994     -0.08039670
+H      0.46588566      0.26027061     -1.04680004
+H      2.66858635     -0.50610628      0.97224630
+H      2.76477882     -0.42196839     -2.10987149
+H      2.74548017     -1.89271273     -1.11126809
+H      4.14024106     -0.78637968     -1.04096493
+H      2.52631036      1.94510590     -0.90881568
+H      3.68668891      1.46524639      1.91264022 
+
+20
+-1941.6771798142515 12.896019 13.87556 -9.2711 -7.0448 -9.176 0.9284 -0.1027 1.454 8.51647 -0.79035 6.4175649544 6.4175649544 0.394916706
+C      1.12761496     -0.29963130      0.49953132
+C      2.41325797      0.07324020     -0.24310068
+C      2.93155077     -1.13311211     -1.05245465
+C      2.28928904      1.30848536     -1.12091585
+C      1.12276829      1.90737031     -1.41007538
+C      3.57912456      1.87163855     -1.68977328
+N      4.55575440      2.16828598     -0.62472547
+H      0.74713138      0.53754173      1.10239332
+H      1.31481040     -1.14630967      1.17595242
+H      0.33210429     -0.60702585     -0.19783075
+H      3.19107415      0.31419747      0.50340359
+H      2.22554372     -1.39444508     -1.85621870
+H      3.04203036     -2.01050414     -0.39825651
+H      3.91220029     -0.93476504     -1.50562453
+H      0.16629860      1.53809320     -1.03926234
+H      1.09368057      2.79601003     -2.04491835
+H      3.32686203      2.73945382     -2.32883746
+H      4.04443303      1.12043483     -2.35061247
+H      4.23265423      2.97263916     -0.08020279
+H      5.44908698      2.44040256     -1.04040142 
+
+16
+-1680.7112622265659 11.836365 12.73011 -9.9855 -7.9827 -9.822 0.2581 -1.4638 -0.106 9.27242 0.58259 5.0447051722 6.479818325 0.319423555
+C      1.07803019     -0.14561818      0.27180216
+C      2.55846017      0.02607441     -0.11662778
+C      2.89638827     -0.75363682     -1.38784130
+C      2.91623298      1.50542166     -0.20739575
+C      3.33897560      2.15132535     -1.31096519
+C      2.77178645      2.24635724      1.01382982
+N      2.64673519      2.81158311      2.03034163
+H      0.83682459      0.39456830      1.19746366
+H      0.84857640     -1.20884858      0.42833159
+H      0.42308003      0.23373302     -0.52684999
+H      3.16639991     -0.38313364      0.71105483
+H      2.29332595     -0.41133408     -2.24290769
+H      2.67632473     -1.81954819     -1.23701066
+H      3.95898634     -0.66366493     -1.65438613
+H      3.46914336      1.62641663     -2.25625785
+H      3.56410985      3.21685469     -1.28810134 
+
+22
+-2083.3050373142387 12.896696 14.28964 -9.1692 -6.9136 -10.569 0.8657 -0.0691 2.926 9.90786 -2.60366 8.6646128268 10.4488457584 0.125379911
+C      3.26789846     -0.77631115      1.66476422
+C      2.75260218     -0.10588757      0.38197036
+C      1.25196960     -0.37308598      0.20382892
+C      3.08727381      1.40673529      0.28723860
+C      2.48581589      2.25912282      1.41168900
+C      4.60454335      1.64069794      0.16837878
+N      4.89935167      3.02841024     -0.22538775
+H      4.35217807     -0.64896845      1.79597892
+H      3.06420139     -1.85723121      1.64015328
+H      2.76968395     -0.37109372      2.55882434
+H      3.27196404     -0.58553861     -0.46962376
+H      0.66677851      0.02936864      1.04495005
+H      1.05107003     -1.45371665      0.15329968
+H      0.86909156      0.08408170     -0.72143308
+H      2.64442428      1.75446266     -0.66795068
+H      2.84944280      1.93374537      2.39844939
+H      1.38777561      2.21162938      1.42277659
+H      2.78441734      3.30727940      1.27895047
+H      5.02498553      0.88299668     -0.52597645
+H      5.08148979      1.47125382      1.14833749
+H      4.63044642      3.17380152     -1.20242588
+H      5.90569571      3.20035785     -0.17938247 
+
+22
+-2085.6758782452835 12.846415 13.99838 -9.0098 -6.9078 -10.435 0.8462 -0.0939 2.826 9.74442 -2.47892 8.2554962226 10.6984047792 0.091459653
+C      0.96658992     -0.09608819      0.05917348
+C      2.49358162      0.01977804     -0.04818720
+C      2.99897112     -0.77946698     -1.25789156
+C      3.02403624      1.49208708     -0.02625349
+C      2.65679419      2.26298183     -1.30344467
+C      2.46935418      2.24603477      1.20044238
+N      4.50598975      1.40833569      0.01920925
+H      0.57018260      0.34020481      0.98586646
+H      0.67004835     -1.15520200      0.04244477
+H      0.46472102      0.39209935     -0.79089735
+H      2.92000679     -0.45025809      0.86018321
+H      2.48884607     -0.46844330     -2.18290588
+H      2.79350714     -1.85111982     -1.11868538
+H      4.07875653     -0.64316779     -1.39693215
+H      3.10285117      1.79429345     -2.19020008
+H      3.03423630      3.29596884     -1.24370008
+H      1.56816490      2.32083527     -1.44126825
+H      2.67489124      1.68892002      2.12862730
+H      1.38425667      2.41631628      1.14040878
+H      2.95347316      3.23111467      1.28440802
+H      4.78930876      0.98560578      0.90939880
+H      4.89291227      2.35693028      0.02765365 
+
+18
+-1823.5480972471473 11.715617 13.11027 -11.2904 -8.9743 -11.641 0.771 -0.2216 1.516 11.20323 -1.09396 5.3429782924 10.6881263398 0.247657724
+C      0.93425086     -0.08188621      0.12573367
+C      2.46199559     -0.03872194      0.00724616
+C      2.92762595     -0.78146582     -1.24990771
+C      2.98592230      1.42870209      0.02153901
+C      2.57953660      2.23337136      1.27188692
+C      4.44678855      1.45408421     -0.11529591
+N      5.61044940      1.47710703     -0.20063592
+H      0.57022992      0.33840982      1.07252860
+H      0.58288015     -1.12195755      0.07183710
+H      0.45866869      0.47063972     -0.70081823
+H      2.89656182     -0.54048876      0.89032036
+H      2.50792703     -0.31780414     -2.15713408
+H      2.59134510     -1.82749023     -1.22505154
+H      4.02210633     -0.77973844     -1.34301055
+H      2.58140605      1.93742586     -0.87362169
+H      2.91234157      1.72253500      2.18635040
+H      1.49049368      2.35470548      1.31359722
+H      3.03359042      3.23213252      1.25510618 
+
+18
+-1788.279436022984 12.98528 14.81183 -9.1873 -6.8973 -9.108 0.8544 -0.1227 2.44 8.66919 -1.99682 4.1413927706 10.259469542 0.566618617
+C      0.97287474     -0.05307146      0.01525239
+C      2.51360645     -0.02322914     -0.01790221
+C      3.06567493     -0.80803513     -1.22353368
+C      3.00887368      1.35459960     -0.00410289
+C      3.40245142      2.50592889      0.00744175
+C      3.88179003      3.88495690     -0.00824424
+N      2.76456631      4.84836828     -0.10752573
+H      0.58641775      0.48510692      0.89065984
+H      0.61385196     -1.09178261      0.05475128
+H      0.56014091      0.42187147     -0.88671066
+H      2.87964669     -0.51516585      0.90244375
+H      2.72162699     -0.35746300     -2.16596072
+H      2.71689982     -1.85057891     -1.19101132
+H      4.16384657     -0.80841509     -1.22659272
+H      4.63376596      3.97939583     -0.81917225
+H      4.41710573      4.09001066      0.93498239
+H      2.23063108      4.65036184     -0.95810142
+H      3.14877897      5.79028083     -0.21949360 
+
+14
+-1527.0751505898322 12.530322 13.62908 -10.3262 -8.1817 -9.867 0.4801 -1.2706 0.202 9.45533 0.15765 3.5737972612 7.7866431636 1.170290828
+C      0.97444881     -0.01265828      0.01994853
+C      2.51708036      0.01447147     -0.01375246
+C      3.08187970     -0.75912091     -1.22372611
+C      3.01203653      1.38301739      0.00355318
+C      3.41860623      2.53476994      0.00137762
+C      3.87409821      3.82015045      0.00238730
+N      4.26591791      4.92788176      0.00218131
+H      0.58683461      0.51790894      0.89887365
+H      0.62488677     -1.05347045      0.05741577
+H      0.56042959      0.46135659     -0.88062252
+H      2.88941023     -0.46982242      0.90781780
+H      2.73620976     -0.30942942     -2.16470157
+H      2.73649676     -1.80141046     -1.18864336
+H      4.17925453     -0.75445459     -1.22127913 
+
+22
+-2086.601660765768 13.073942 14.50291 -9.0865 -6.9289 -10.482 0.8521 -0.0781 3.023 9.81445 -2.75777 8.518148165 10.5384504406 0.114050051
+C      1.76493909     -0.88431678      0.30164662
+C      3.22942209     -0.50116181      0.05800883
+C      3.71659592     -1.04381467     -1.29092754
+C      3.40188261      1.02345529      0.17040574
+C      4.83960237      1.55596713      0.07676373
+C      4.85124320      3.09110243      0.11799135
+N      5.67154291      0.91768362      1.11498377
+H      1.41345958     -0.52656032      1.28146609
+H      1.62847055     -1.97565602      0.27332779
+H      1.10813532     -0.44665712     -0.46828141
+H      3.84847576     -0.96044861      0.84686349
+H      3.18124412     -0.56453585     -2.12759820
+H      3.54162401     -2.12775276     -1.36162625
+H      4.79337410     -0.87578450     -1.43275208
+H      2.97510181      1.35946397      1.13497714
+H      2.79631339      1.51340626     -0.61341473
+H      5.26422115      1.24221610     -0.89300268
+H      4.42692320      3.45822724      1.06665217
+H      4.25824543      3.52106488     -0.70476640
+H      5.87675882      3.48089109      0.03257116
+H      5.33354013      1.20541510      2.03975326
+H      6.63124442      1.26664534      1.04793817 
+
+18
+-1823.7068810539636 11.713797 13.13518 -11.4409 -9.0402 -11.771 0.75 -0.2617 1.481 11.31468 -1.08426 5.373677226 12.9120384246 0.144738622
+C      0.93695945     -0.55184904      0.62975726
+C      2.31017419     -0.42558081     -0.04084935
+C      2.71559970     -1.74720616     -0.70553873
+C      2.29950793      0.75186784     -1.03015077
+C      3.65959989      1.07972442     -1.68160960
+C      4.69143286      1.43075034     -0.70848074
+N      5.50432407      1.71315658      0.07938449
+H      0.65219611      0.37956860      1.14107812
+H      0.93435381     -1.35958189      1.37575731
+H      0.15506590     -0.78129308     -0.11252452
+H      3.05255392     -0.19430350      0.74419923
+H      2.02283335     -2.00602872     -1.52331133
+H      2.69108638     -2.57061169      0.02284624
+H      3.73388591     -1.71438197     -1.11929476
+H      1.93489289      1.65415634     -0.51401399
+H      1.58486182      0.54144009     -1.84418177
+H      3.54943755      1.92552655     -2.37789451
+H      4.02729426      0.22958607     -2.27695258 
+
+16
+-1678.118993172673 11.813544 12.96807 -10.0939 -7.9206 -9.878 1.2349 -0.4155 0.957 9.33127 -0.39429 5.3689781566 6.657366277 0.480857354
+C      1.02225551      0.00735692      0.44287482
+C      2.49408858     -0.00168122     -0.00583230
+C      2.69288932     -0.62335345     -1.41810769
+C      2.34717143     -2.08276920     -1.45997825
+C      1.42683672     -2.63068127     -2.26097631
+C      3.05093196      1.35379390      0.02329275
+N      3.48544258      2.43674883      0.03240608
+H      0.92279354      0.41377133      1.45722622
+H      0.62587889     -1.01602896      0.43040458
+H      0.41547332      0.62238537     -0.23603923
+H      3.08274745     -0.59607885      0.71566466
+H      3.74922192     -0.48881002     -1.70352003
+H      2.08738315     -0.06272543     -2.14718408
+H      2.91702285     -2.73093514     -0.78289283
+H      0.83915105     -2.02234804     -2.95321259
+H      1.23641174     -3.70469477     -2.26004579 
+
+14
+-1520.7648925788358 11.226925 12.53372 -10.4328 -8.0668 -10.131 0.7204 -0.3474 1.412 9.7113 -1.02756 4.3839961768 10.8229735134 0.45317821
+C      0.95699164      0.02346656      0.06839771
+C      2.49400852     -0.02650125      0.00983966
+C      2.98868542     -0.80750517     -1.24098131
+C      4.42679604     -1.02965244     -1.26468595
+C      5.62583616     -1.21193520     -1.26096297
+C      3.05246838      1.32887776      0.03595522
+N      3.46290466      2.42052815      0.05304035
+H      0.61787308      0.56774766      0.95827516
+H      0.55269462     -0.99694912      0.10901754
+H      0.54821120      0.52777608     -0.81778967
+H      2.87616740     -0.54547396      0.90471200
+H      2.67635630     -0.26525476     -2.14852391
+H      2.46503290     -1.77729474     -1.25456509
+H      6.68600367     -1.36342956     -1.26566874 
+
+18
+-1790.4865127638277 12.819722 14.60895 -9.1032 -6.7871 -9.202 0.8396 -0.0577 2.496 8.77851 -2.00962 4.1365945124 10.0358979868 0.455728799
+C      0.92914559     -0.05121034      0.03245946
+C      2.38503665     -0.02376871      0.01322582
+C      3.60141755     -0.00588136     -0.00631414
+C      5.06242026      0.02012204     -0.01532377
+C      5.67148145      1.43673311     -0.02763652
+C      5.35019139      2.22281764     -1.29707020
+N      5.99552688      3.54605298     -1.25786862
+H      0.51093469      0.96678053      0.03824368
+H      0.55084418     -0.57114289      0.92559935
+H      0.52797229     -0.57074718     -0.85090919
+H      5.43069042     -0.54123291     -0.89245843
+H      5.43537690     -0.52298382      0.86894262
+H      6.76502485      1.35969537      0.07621083
+H      5.30316996      1.99127605      0.85219980
+H      4.25092861      2.25723933     -1.42877844
+H      5.75793467      1.67969054     -2.16668790
+H      5.56406023      4.11439856     -0.52314167
+H      5.81834342      4.04215107     -2.13450269 
+
+16
+-1650.9090571891484 14.101978 15.20387 -8.5148 -6.4688 -8.223 0.7693 -0.7175 0.695 7.82087 -0.08668 3.8667389834 5.7600052034 0.449984446
+C      0.92102415     -0.04879075      0.02848918
+C      2.37331129      0.00888455      0.01717048
+C      3.59198719      0.07037700      0.00073564
+C      5.00915815      0.08087792     -0.01486802
+C      5.77608183      1.16476929     -0.26173654
+C      7.27394444      1.14719418     -0.26029052
+N      7.79305437      1.71285774     -1.51808172
+H      0.48171939      0.95962889      0.05113448
+H      0.55084996     -0.59680009      0.90832794
+H      0.53694168     -0.56087526     -0.86734257
+H      5.50340375     -0.87584059      0.19700661
+H      5.30321128      2.12414192     -0.49210096
+H      7.62839271      0.12183438     -0.03012630
+H      7.63629902      1.79822676      0.55573073
+H      7.57168383      1.08442867     -2.29455710
+H      8.81210698      1.78333539     -1.47642133 
+
+12
+-1388.7715510028936 13.681173 13.92297 -9.2283 -7.3178 -8.862 -0.6691 -2.2722 -0.667 8.38844 1.18495 3.6528879306 10.7977671596 0.828347816
+C      0.93327211     -0.03412930      0.00006808
+C      2.38275039      0.01130050      0.00022185
+C      3.60283783      0.05846687      0.00021665
+C      5.01020799      0.04861600      0.00020028
+C      5.78375108      1.16698573     -0.00008537
+C      7.20003520      1.11632319     -0.00014080
+N      8.37153126      1.10879031     -0.00021257
+H      0.50153685      0.97684622      0.01205610
+H      0.55898565     -0.57627325      0.88147307
+H      0.55869881     -0.55509612     -0.89392672
+H      5.50141487     -0.92959690      0.00038057
+H      5.32832796      2.15928673     -0.00027113 
+
+16
+-1649.1611740788028 13.294775 14.25388 -8.7033 -6.6494 -8.454 0.7844 -0.7391 0.713 7.94751 -0.12682 3.8263195474 5.8947035938 0.455667476
+C      1.02445916      0.10028969      0.09021678
+C      2.47595701      0.03645030      0.04356355
+C      3.69207766     -0.05415932     -0.00183741
+C      5.11783785     -0.07839133     -0.03670275
+C      5.81016800     -1.22471320     -0.19835688
+C      5.80641644      1.26853419      0.09897786
+N      5.45792182      1.91675338      1.37516367
+H      0.66887252      1.14129415      0.09912034
+H      0.63521523     -0.39566732      0.99252334
+H      0.57846199     -0.39933952     -0.78313768
+H      5.30314022     -2.18150977     -0.32259994
+H      6.90074244     -1.21866393     -0.20916662
+H      5.53748092      1.86951291     -0.79485812
+H      6.89497916      1.10940295      0.07299625
+H      4.43806117      1.99883843      1.43496466
+H      5.82214842      2.87252838      1.37882294 
+
+12
+-1384.237223112463 12.356875 13.25596 -9.3969 -7.4144 -8.999 -0.4532 -2.076 -0.47 8.55633 1.0712 3.8184092406 10.6191281308 0.639207142
+C      0.96606042      0.05063944      0.00004679
+C      2.41540968     -0.01111294      0.00008441
+C      3.63192921     -0.06899180      0.00005024
+C      5.05583232     -0.08852052      0.00001314
+C      5.80330120     -1.21954922     -0.00010488
+C      5.70929101      1.19605676      0.00011166
+N      6.23123759      2.24149391      0.00019023
+H      0.61905175      1.09384320      0.01130791
+H      0.55012543     -0.45624513      0.88329606
+H      0.55112562     -0.43657346     -0.89469230
+H      5.32083667     -2.19551534     -0.00018638
+H      6.89056909     -1.16832491     -0.00011688 
+
+18
+-1790.7786112153726 12.90613 14.78108 -9.1904 -6.944 -9.151 0.8591 -0.068 2.474 8.69606 -2.01324 4.129663695 9.9220912374 0.355420965
+C      0.95195755      0.00602921      0.00655679
+C      2.40828625      0.00377459      0.00915289
+C      3.62502909     -0.00930805      0.01487529
+C      5.08828151     -0.00780374     -0.01242980
+C      5.63729203     -0.80218986     -1.21165871
+C      5.62606361      1.44518270      0.01282268
+N      7.08735604      1.45756464      0.16892810
+H      0.55404305      1.03204810      0.01084388
+H      0.54982871     -0.51089885      0.89100415
+H      0.55464931     -0.50135832     -0.88554993
+H      5.44382256     -0.49849310      0.91471050
+H      5.25010191     -0.38556791     -2.15322271
+H      5.33360534     -1.85582925     -1.15482194
+H      6.73308642     -0.73891303     -1.22292647
+H      5.08083305      2.00272060      0.79779659
+H      5.37901454      1.92092969     -0.94974761
+H      7.33610864      1.25786232      1.14139091
+H      7.45182040      2.39058025     -0.03204462 
+
+18
+-1791.358038381657 12.856041 14.52524 -9.1264 -6.9661 -9.086 0.7923 -0.1202 2.441 8.64296 -2.02429 4.141008414 10.126990501 0.676707944
+C      0.96924871     -0.00512748     -0.01418045
+C      2.42496759     -0.00020565     -0.01346313
+C      3.64065715      0.01389044      0.00310672
+C      5.11295691      0.00344386     -0.00260636
+C      5.63284036     -0.69714416      1.26988707
+C      5.60616171     -0.75611482     -1.25924837
+N      5.58280651      1.41331671      0.04318990
+H      0.57120291      1.02055299      0.00438979
+H      0.57346254     -0.53155422      0.86738573
+H      0.56941082     -0.50352131     -0.91005784
+H      5.27683386     -0.16577922      2.16096183
+H      6.73397162     -0.69469656      1.27458263
+H      5.28907733     -1.73905836      1.30919516
+H      5.25358356     -0.25697813     -2.17269327
+H      5.23844067     -1.79259180     -1.27136846
+H      6.70692947     -0.77815261     -1.27303603
+H      5.20221701      1.91591896     -0.76384353
+H      6.60187127      1.41797135     -0.06908139 
+
+14
+-1524.6704925255049 11.592054 13.48628 -10.0146 -7.7949 -9.627 0.7238 -0.3092 1.239 9.18245 -0.89022 4.1497742242 9.9519594648 0.335928396
+C      0.94539505     -0.01009396      0.00808823
+C      2.39921072     -0.00896327      0.00068094
+C      3.61349132      0.00178273     -0.00018631
+C      5.07921703      0.00184277     -0.02224976
+C      5.65556566     -0.77420955     -1.23213087
+C      5.60330937      1.37971897      0.00307035
+N      6.04870623      2.45724221      0.01356253
+H      0.55518565      1.01813926      0.02078785
+H      0.55369472     -0.53064937      0.89413253
+H      0.54446171     -0.51167041     -0.88478056
+H      5.44446224     -0.47967177      0.90409495
+H      5.32432204     -0.31384559     -2.17067354
+H      5.29621263     -1.80980649     -1.19947601
+H      6.75225563     -0.76983552     -1.19904033 
+
+14
+-1497.7981335068473 14.332752 15.74039 -8.774 -6.6471 -8.306 0.8532 -0.5979 1.175 7.95042 -0.71203 3.114156362 7.691843468 1.98221326
+C      0.95574194     -0.00958646     -0.00170388
+C      2.40518489     -0.01286781     -0.00286942
+C      3.62886661     -0.01002505     -0.00059637
+C      4.98787417     -0.00034738      0.00263236
+C      6.21170167      0.00857174      0.01391524
+C      7.66675028      0.01553892     -0.01448140
+N      8.20850987      1.38924203      0.02391332
+H      0.56469392      1.01935462      0.00872929
+H      0.55804517     -0.52806819      0.88409397
+H      0.55469651     -0.51221942     -0.89507427
+H      7.99218278     -0.58014426     -0.89347825
+H      8.04194379     -0.51938169      0.87563634
+H      7.85738780      1.91047269     -0.78383525
+H      9.22582061      1.34605027     -0.07656168 
+
+10
+-1235.144105647481 14.559079 14.48418 -9.7056 -7.7273 -9.054 -0.6345 -2.2575 -0.483 8.51595 0.97659 2.769971226 6.542059297 2.111879829
+C      1.07919846     -0.00004333     -0.00000074
+C      2.52389717     -0.00003555     -0.00009353
+C      3.74949862      0.00001183     -0.00013778
+C      5.09645587      0.00001274     -0.00028373
+C      6.32709149      0.00003612     -0.00012411
+C      7.68246903     -0.00010914     -0.00039079
+N      8.86002994     -0.00021293     -0.00050449
+H      0.68751907      1.02793059     -0.01839110
+H      0.68750231     -0.49804923      0.89945232
+H      0.68741805     -0.52991109     -0.88102605 
+
+18
+-1792.716595393587 12.872925 14.61187 -9.1745 -6.9541 -9.193 0.8451 -0.0772 2.476 8.75878 -2.02213 4.1359497852 9.929108845 0.6681988
+C      0.96780685     -0.00692019      0.01061596
+C      2.42398583      0.00740904      0.01152443
+C      3.64057364      0.00967595      0.00857422
+C      5.09811001      0.02926465     -0.01385480
+C      5.71480260      1.44771482      0.01103673
+C      5.33458040      2.21282496      1.28363892
+N      7.16473027      1.30714107     -0.21321331
+H      0.55868836      1.01478750      0.02460891
+H      0.57230280     -0.53593756      0.89096295
+H      0.57485046     -0.50989992     -0.88599031
+H      5.46978839     -0.48179398     -0.91669958
+H      5.48942326     -0.54163543      0.84939712
+H      5.31283933      1.99035238     -0.86163720
+H      5.73495672      1.70154008      2.17471553
+H      4.24265499      2.28535308      1.39657500
+H      5.74756378      3.23221547      1.26339964
+H      7.59336864      0.87017837      0.61017653
+H      7.58825367      2.23614972     -0.28355073 
+
+14
+-1528.3264297081362 11.813395 13.85097 -9.9089 -7.6483 -9.582 0.6648 -0.3044 1.332 9.17058 -1.00294 4.1521795526 10.1149266632 0.897304475
+C      0.96185757     -0.00037920     -0.00005009
+C      2.41696002     -0.00447493     -0.00004237
+C      3.63263075     -0.02329567     -0.00001671
+C      5.08916700     -0.01930408     -0.00001565
+C      5.66215477      1.42276416      0.00110751
+C      7.12102526      1.43579908      0.00104359
+N      8.28743869      1.42077492      0.00098075
+H      0.56843441      1.02684801      0.01155611
+H      0.56393307     -0.52162215      0.88312999
+H      0.56388410     -0.50161974     -0.89470902
+H      5.47191366     -0.55582307     -0.88271010
+H      5.47193099     -0.55720814      0.88182811
+H      5.30176558      1.96771377      0.88621033
+H      5.30167413      1.96911705     -0.88309246 
+
+20
+-1942.810122109869 13.426817 14.90452 -9.0555 -6.8448 -8.984 0.9678 0.0215 1.462 8.44348 -0.81238 6.2821970396 6.2821970396 0.415579249
+C      1.82163876     -0.61239327      1.22047225
+C      2.64332711     -0.20397389     -0.01185867
+C      3.00228719      1.25390001     -0.01619886
+C      4.24832292      1.74775823     -0.02877905
+C      4.60138286      3.20613951     -0.01981200
+C      5.43481683      3.61447235      1.20341770
+N      5.75460797      5.04893326      1.15101567
+H      1.54618357     -1.67611275      1.17898239
+H      0.89182698     -0.02761203      1.28880908
+H      2.39110815     -0.44136239      2.14557552
+H      2.05799656     -0.43658784     -0.91961173
+H      3.56241927     -0.80946559     -0.06946525
+H      2.15893715      1.95775473      0.00118254
+H      5.09011949      1.04208378     -0.04089480
+H      3.69206765      3.82598620     -0.05491467
+H      5.18532398      3.44693111     -0.92874787
+H      6.32439223      2.95334317      1.26831437
+H      4.84046050      3.43328495      2.11339397
+H      6.38699757      5.23344262      0.36710114
+H      6.26144326      5.32446786      1.99497827 
+
+20
+-1944.3685424748842 13.282667 14.39188 -8.8482 -6.7324 -8.694 0.9349 -0.0452 1.521 8.10976 -0.82218 6.0612539876 6.0612539876 0.391820985
+C      2.08684712     -0.66836494      1.46903335
+C      2.72495151     -0.26505302      0.12989858
+C      3.26674649      1.13527309      0.15329097
+C      4.53659273      1.54539931     -0.03156575
+C      5.70955660      0.64503169     -0.31463077
+C      4.86218948      3.02312458      0.03809653
+N      5.78464150      3.30673217      1.15531685
+H      1.64120626     -1.67208451      1.41255750
+H      1.29167681      0.03616813      1.75632271
+H      2.83575046     -0.66998621      2.27444733
+H      1.95742387     -0.33519404     -0.66203228
+H      3.50903641     -0.98742896     -0.14157438
+H      2.51677796      1.91153711      0.35637565
+H      5.49597104     -0.41384623     -0.12555821
+H      6.56542153      0.94961187      0.30449869
+H      6.02563754      0.74328181     -1.36736040
+H      3.91563602      3.59688684      0.07595498
+H      5.38274600      3.32159084     -0.88942860
+H      5.29063209      3.17047548      2.04139405
+H      6.07260859      4.28739498      1.12952318 
+
+16
+-1683.6123175455405 12.354685 13.30073 -9.5317 -7.5532 -9.329 0.4362 -1.2081 0.018 8.81268 0.52258 5.0124936094 5.1800978842 0.280847904
+C      1.63434873     -0.26789355      1.53830302
+C      2.33952679      0.01373220      0.20029824
+C      3.02316611      1.34400127      0.19153866
+C      4.33776109      1.59746448     -0.01086058
+C      5.42351627      0.58602305     -0.28942593
+C      4.77673285      2.96178600      0.03506728
+N      5.17685563      4.06126078      0.06594307
+H      1.10196445     -1.22832599      1.50094951
+H      0.90032722      0.51631703      1.77510841
+H      2.35881437     -0.30899591      2.36380646
+H      1.58331170      0.01206715     -0.60512396
+H      3.04107860     -0.79964337     -0.03181092
+H      2.37651232      2.20605221      0.38561021
+H      5.03611398     -0.43856198     -0.28564233
+H      6.22072719      0.66113318      0.46473347
+H      5.88735270      0.77969345     -1.26770461 
+
+20
+-1943.7908926542716 13.295985 14.54986 -9.006 -6.8695 -9.026 0.919 -0.157 1.459 8.48401 -0.79971 6.3052336384 6.3052336384 0.389504612
+C      1.75344314     -0.67071082     -1.06111833
+C      2.76452669     -0.27170268      0.02423281
+C      3.00157122      1.21046122      0.09053643
+C      4.19350749      1.80203952     -0.06839791
+C      4.49435188      3.28045341     -0.01341240
+C      3.28309684      4.16580336      0.30243418
+N      5.64626830      3.46957124      0.89565826
+H      1.57630244     -1.75585042     -1.05576368
+H      2.11605624     -0.38830566     -2.06009262
+H      0.78438814     -0.17281122     -0.90451326
+H      3.72213183     -0.79014275     -0.14390138
+H      2.38671055     -0.62020698      1.00233476
+H      2.11141985      1.82549480      0.27082572
+H      5.07909230      1.17941070     -0.24311563
+H      4.86538620      3.56457517     -1.01767934
+H      2.86754867      3.92752691      1.29399766
+H      2.48289988      4.04721365     -0.44406871
+H      3.58078338      5.22454059      0.30616642
+H      5.35841443      3.23367015      1.85075183
+H      5.91030052      4.45855980      0.91097520 
+
+16
+-1679.9734274968948 12.046805 13.47384 -9.8226 -7.732 -9.495 1.1784 -0.3868 0.797 8.94779 -0.24816 5.3582781648 6.2535686722 0.386506081
+C      1.75559701     -0.70883787     -1.00869298
+C      2.87619460     -0.27260839     -0.05229619
+C      3.00288884      1.21869523      0.04362324
+C      4.09770880      1.92113393     -0.26949919
+C      4.19351759      3.42505357     -0.15228491
+C      4.54224661      4.06879681     -1.42088130
+N      4.82803417      4.57002732     -2.43468273
+H      1.66739333     -1.80393969     -1.03467353
+H      1.95252213     -0.35598395     -2.03090900
+H      0.78311334     -0.30111976     -0.69473190
+H      3.83718653     -0.70569631     -0.37179177
+H      2.66595573     -0.67932333      0.95266407
+H      2.10944336      1.75799131      0.38579019
+H      4.99597239      1.40861750     -0.62835202
+H      4.96507318      3.70965841      0.58410413
+H      3.24062240      3.84664522      0.20318389 
+
+20
+-1942.0516105988063 12.991853 14.25811 -9.2584 -6.9965 -9.152 0.9091 -0.0227 1.441 8.5085 -0.78448 6.3891473632 6.3891473632 0.397523191
+C      0.82663182     -0.18311378      0.08187046
+C      2.32549739      0.10141772      0.01983585
+C      2.73997954      1.55518234     -0.05496764
+C      1.86057212      2.56864869     -0.10402353
+C      4.23041506      1.81412443     -0.06127641
+C      4.94025168      1.37912348     -1.35384841
+N      6.38487673      1.63612885     -1.24575571
+H      0.64387142     -1.26485265      0.14651266
+H      0.30714236      0.18926666     -0.81324907
+H      0.36332055      0.28777074      0.96125044
+H      2.75933935     -0.43342293     -0.84400637
+H      2.82345979     -0.34416583      0.90083509
+H      0.78218197      2.40646021     -0.10129659
+H      2.20226316      3.60499946     -0.14366923
+H      4.71313934      1.28676346      0.77960136
+H      4.41067779      2.89125447      0.09205628
+H      4.45003464      1.88245781     -2.21186593
+H      4.81140633      0.29540708     -1.50312531
+H      6.55306610      2.64560420     -1.20771541
+H      6.86082287      1.30323558     -2.08734251 
+
+20
+-1942.508414010761 12.892927 13.89292 -9.1955 -7.0514 -9.163 0.9254 -0.1137 1.462 8.50127 -0.79881 6.413237843 6.413237843 0.387143141
+C      2.62366047     -0.29661465     -1.63131225
+C      2.39833412      0.20794473     -0.19606412
+C      2.82191105      1.64674409      0.00503932
+C      1.92022368      2.63768972      0.08203216
+C      4.32456711      1.88457957      0.12010586
+C      4.75345331      3.35251458      0.01978050
+N      4.79868095      1.20075950      1.34596491
+H      2.30682800     -1.34535199     -1.72645171
+H      3.68379537     -0.24760838     -1.92073635
+H      2.04926863      0.30084635     -2.35473823
+H      2.96578845     -0.42358921      0.50557046
+H      1.33208499      0.10768771      0.05917151
+H      0.85058331      2.42580211      0.02014539
+H      2.20392838      3.68369833      0.20303014
+H      4.79751675      1.34316928     -0.72049271
+H      4.35585699      3.94348118      0.85917844
+H      4.41320812      3.81451315     -0.91920191
+H      5.85051007      3.42419592      0.05355931
+H      4.42395940      1.69498715      2.16233607
+H      5.81749084      1.27951084      1.40554319 
+
+16
+-1679.5841332712557 11.691734 12.77642 -9.8683 -7.8052 -9.635 1.1153 -0.4703 0.823 8.9891 -0.266 5.3614522064 6.3526830806 0.349544256
+C      2.58861252     -0.24826672     -1.59840410
+C      2.36756630      0.25934767     -0.16439471
+C      2.88855835      1.65335313      0.08472699
+C      2.09767079      2.67886573      0.42718676
+C      4.38603432      1.87724747     -0.09037134
+C      5.20293009      0.97484592      0.72231853
+N      5.84574787      0.24758164      1.36934423
+H      2.14499867     -1.24579063     -1.72192066
+H      3.65668324     -0.33766927     -1.84433296
+H      2.12232317      0.42407807     -2.33330790
+H      2.85917184     -0.43410480      0.53985290
+H      1.29381377      0.24174357      0.07347218
+H      1.01941580      2.54655004      0.53221906
+H      2.49537014      3.67806014      0.61483984
+H      4.65053982      2.91379529      0.16543427
+H      4.67518330      1.72404274     -1.14445307 
+
+16
+-1683.8314164972537 12.176022 13.06002 -9.5325 -7.547 -9.336 0.4723 -1.1833 0.011 8.81898 0.52329 5.0109933788 5.1846853662 0.270474005
+C      2.37438554     -0.66553941      1.45261169
+C      2.21093291      0.04299622      0.10010348
+C      2.79891978      1.43969193      0.08991725
+C      2.11703576      2.60645717      0.00352104
+C      0.63957611      2.78418879     -0.10707701
+C      4.22712154      1.50020003      0.20018860
+N      5.39398163      1.49885117      0.29243924
+H      1.96679933     -1.68478965      1.40426067
+H      1.84636132     -0.12149305      2.24865788
+H      3.43355403     -0.73751873      1.73727708
+H      1.14884862      0.09243121     -0.17490810
+H      2.71126085     -0.54777063     -0.68419201
+H      2.70690368      3.52770088      0.01513852
+H      0.08255762      1.84030154     -0.09700180
+H      0.38782772      3.32364435     -1.03432384
+H      0.26981357      3.40976819      0.72094731 
+
+16
+-1677.126120626699 11.794477 12.96567 -10.2493 -8.1248 -9.965 1.1571 -0.5779 0.682 9.41163 -0.20105 5.3300217554 6.6105243662 0.472208941
+C      2.82470767     -0.84561016     -1.16517855
+C      2.43419217     -0.00984033      0.05243196
+C      3.00413298      1.43503134      0.02274578
+C      2.52942105      2.25505375      1.20459527
+C      1.74440548      3.32999888      1.10000086
+C      4.47269486      1.40887745     -0.01445858
+N      5.63888773      1.37092663     -0.02939989
+H      2.39437604     -1.85381968     -1.09451542
+H      3.91593187     -0.95010759     -1.24643724
+H      2.45802004     -0.39003386     -2.09732110
+H      2.77386496     -0.50008970      0.97850106
+H      1.33993929      0.08366364      0.12332623
+H      2.66820838      1.92644790     -0.90783730
+H      2.85630766      1.90135939      2.18740025
+H      1.41404724      3.70780981      0.12923582
+H      1.40690257      3.87109251      1.98455084 
+
+22
+-2083.469781685685 13.04327 14.6336 -9.1981 -6.8945 -10.607 0.925 -0.0027 2.995 9.97735 -2.69087 8.7516014044 10.6267656684 0.113150624
+C      2.94532083     -0.87274826     -1.03609830
+C      2.45295346     -0.03123769      0.14395699
+C      2.95624414      1.42568563      0.16969365
+C      2.22590575      2.21273019      1.26697627
+C      4.48604731      1.49573646      0.32259719
+C      5.08800959      2.89820151      0.22013081
+N      6.55837614      2.81679809      0.16157916
+H      2.49344035     -1.87483746     -1.01948768
+H      4.03606890     -1.00714617     -1.02498072
+H      2.67807819     -0.40361737     -1.99609698
+H      2.73537111     -0.52079789      1.09403442
+H      1.34966582     -0.01176680      0.13163904
+H      2.69732791      1.88099871     -0.80682060
+H      2.47986471      1.81815848      2.26487137
+H      1.13475986      2.13459478      1.14687329
+H      2.48412556      3.28077926      1.25523859
+H      4.97013634      0.88174162     -0.45254683
+H      4.76615142      1.04844970      1.29642035
+H      4.71411234      3.53198846      1.04833149
+H      4.74469734      3.36737832     -0.71830193
+H      6.91291957      2.42218542      1.03788789
+H      6.95591337      3.75687504      0.09666252 
+
+20
+-1943.4281760036936 13.278033 14.37823 -8.8324 -6.6816 -8.69 0.925 -0.0716 1.505 8.10715 -0.80729 6.0455077656 6.0455077656 0.382439416
+C      2.31555637     -0.37100877      1.39386533
+C      2.62194990      0.22946623      0.01205409
+C      2.82244505      1.73164853      0.02246113
+C      1.57641345      2.54897999      0.25224448
+C      4.04962955      2.24866692     -0.18529508
+C      4.46422954      3.69122434     -0.21307388
+N      5.61022534      3.90223100      0.69497007
+H      2.19385737     -1.46181070      1.32547948
+H      1.38940506      0.03611948      1.82473762
+H      3.13437687     -0.16413246      2.09817418
+H      1.79353686     -0.01892023     -0.67611788
+H      3.52398504     -0.25041729     -0.39816305
+H      0.88928668      2.44853390     -0.60470386
+H      1.78145482      3.61741095      0.38983530
+H      1.02464991      2.19361576      1.13613290
+H      4.88033028      1.55183020     -0.34777961
+H      3.60197656      4.35503503     -0.01364190
+H      4.81642876      3.93774238     -1.23094526
+H      5.30337979      3.76921503      1.66251577
+H      5.93690280      4.86868971      0.62318016 
+
+16
+-1686.0857862446744 12.307876 13.07349 -9.5553 -7.5715 -9.335 0.2967 -1.3156 -0.002 8.75562 0.58868 4.9571338604 10.5772952544 0.295414219
+C      2.09261012     -0.69430805      1.45027283
+C      2.64563324     -0.19834777      0.10252797
+C      3.00994071      1.26459938      0.09780301
+C      1.89682801      2.25872089      0.24238767
+C      4.30596187      1.63817761     -0.03612215
+C      4.74465903      2.99010871     -0.04710812
+N      5.13135011      4.09566613     -0.06188950
+H      1.86787875     -1.76820388      1.39511607
+H      1.16525357     -0.17547209      1.72927579
+H      2.82497817     -0.54043064      2.25548844
+H      1.88641314     -0.37262934     -0.68000112
+H      3.52791213     -0.79541230     -0.17269253
+H      1.15026471      2.11146468     -0.55432176
+H      2.25721961      3.29313268      0.19851471
+H      1.36756952      2.11833424      1.19732020
+H      5.08957732      0.88460976     -0.14673151 
+
+22
+-2083.9794421752144 12.861077 14.1146 -9.1366 -6.9048 -10.553 0.8633 -0.0833 2.859 9.89672 -2.50506 8.599792946 10.7226688394 0.151427866
+C      2.94100220     -0.90139904     -1.10939227
+C      2.51367917      0.05136983      0.01017237
+C      3.04214012      1.50576452     -0.07595692
+C      2.56924911      2.19202634     -1.36899583
+C      2.48878811      2.29069903      1.12796322
+C      4.58964391      1.54742075     -0.05280551
+N      5.16427446      0.90186838      1.13830209
+H      2.48524500     -1.89110399     -0.96039917
+H      4.03092071     -1.04830774     -1.12467072
+H      2.63042613     -0.54785181     -2.10383800
+H      2.84504136     -0.36701273      0.97348458
+H      1.41100425      0.09803763      0.04534899
+H      2.96815936      1.69782326     -2.26712842
+H      2.89481479      3.24365743     -1.39711096
+H      1.47049265      2.18048293     -1.43732109
+H      2.76518248      1.81603664      2.08187965
+H      1.38919905      2.33199170      1.09208968
+H      2.86188936      3.32759741      1.13339385
+H      4.89818265      2.60721257     -0.17623158
+H      4.97124631      1.01019022     -0.93585619
+H      5.05489276      1.50719930      1.95515857
+H      6.17045607      0.77923737      1.01242364 
+
+18
+-1822.6403762954903 11.675963 13.04972 -11.2171 -8.9728 -11.609 0.7273 -0.246 1.551 11.0807 -1.13886 5.360968661 10.6570182524 0.276251107
+C      1.01193540     -0.25013727      0.01705110
+C      2.52762749     -0.04536609      0.01456090
+C      3.00203679      1.44082584     -0.00011658
+C      2.53489945      2.17738067     -1.27567102
+C      2.53480827      2.20238834      1.26062950
+C      4.47551382      1.41919405      0.00013818
+N      5.64254673      1.39800936      0.00036520
+H      0.78637270     -1.32557359      0.02756578
+H      0.53251147      0.17296797     -0.87684651
+H      0.53310057      0.19025876      0.90287108
+H      2.96624232     -0.54789484     -0.86193715
+H      2.96676734     -0.53063200      0.90047107
+H      2.85797520      1.64469432     -2.18044267
+H      2.94894573      3.19389341     -1.30931572
+H      1.43949342      2.25473379     -1.28564948
+H      2.85771491      1.68758742      2.17575513
+H      1.43940937      2.28003148      1.26892986
+H      2.94894900      3.21932838      1.27430135 
+
+22
+-2084.729701957396 12.90982 14.26626 -9.0691 -6.9182 -10.49 0.8422 -0.088 2.976 9.80883 -2.65588 8.4727320932 10.2492654942 0.104747501
+C      3.51389749     -1.07782398     -0.49664569
+C      2.85935526     -0.17150706      0.54906097
+C      3.29882990      1.30440862      0.50286322
+C      2.40024324      2.14788137      1.41940123
+C      4.80784031      1.48324600      0.81656569
+C      5.31821372      2.88928692      0.46251294
+N      5.09403345      1.07198005      2.20519393
+H      3.06335853     -2.08091995     -0.48156270
+H      4.59123237     -1.20693276     -0.31730953
+H      3.38857331     -0.67391598     -1.51420119
+H      3.06363276     -0.56226500      1.55925735
+H      1.76508447     -0.20323815      0.41232281
+H      3.15641488      1.66407462     -0.53416900
+H      2.46061850      1.80074252      2.46302087
+H      1.34809260      2.05813645      1.11169545
+H      2.65762573      3.21670957      1.39544938
+H      5.35149972      0.77041577      0.17386337
+H      4.85740641      3.65963662      1.10005941
+H      5.10240211      3.14631127     -0.58680295
+H      6.40764161      2.95100363      0.60520432
+H      4.75557130      1.79038282      2.85249471
+H      6.10600234      1.02883664      2.34584541 
+
+18
+-1823.768319823707 11.62562 13.0069 -11.3736 -9.034 -11.797 0.7436 -0.2734 1.479 11.32838 -1.08159 5.3681226532 10.3433708682 0.173836362
+C      3.40950816     -0.73019344     -0.65077874
+C      2.71847751     -0.01099356      0.50969682
+C      3.14066138      1.45398051      0.71293615
+C      2.30815652      2.12741203      1.80834130
+C      4.65768371      1.60245180      1.00131065
+C      5.08442593      0.90665397      2.21348111
+N      5.40719712      0.34284743      3.18278212
+H      2.98585496     -1.73414229     -0.79239305
+H      4.48752672     -0.86060532     -0.47613391
+H      3.28321198     -0.18086453     -1.59679418
+H      2.89111038     -0.56522694      1.44808932
+H      1.62858584     -0.02187349      0.34532867
+H      2.97199257      1.99258846     -0.23708073
+H      2.46353957      1.63480730      2.78015248
+H      1.23668638      2.07027958      1.57018637
+H      2.57231884      3.18914552      1.92189458
+H      4.91480833      2.66787583      1.11135542
+H      5.25411411      1.21782714      0.15997562 
+
+14
+-1517.231572443714 11.208916 12.56719 -10.657 -8.3641 -10.266 0.8324 -0.3222 1.13 9.83491 -0.80541 4.367158878 10.942942367 0.262035794
+C      1.01874694     -0.15053094     -0.27055421
+C      2.52081562     -0.05121462     -0.02302054
+C      3.02427561      1.42367333      0.00416665
+C      2.42330675      2.20973798      1.08540939
+C      1.90594661      2.84103227      1.98098679
+C      4.49360878      1.46232114      0.08328569
+N      5.65873532      1.45815427      0.12087367
+H      0.70392488     -1.20265256     -0.27910602
+H      0.74157093      0.28946498     -1.24033756
+H      0.44964270      0.36760005      0.51360793
+H      3.08071976     -0.57355937     -0.81263374
+H      2.79223611     -0.52148748      0.93325716
+H      2.75024987      1.89587405     -0.95849063
+H      1.45659011      3.40598690      2.77227541 
+
+22
+-2082.8181326797385 12.869389 14.3272 -9.1424 -6.8992 -10.567 0.8857 -0.0654 3.001 9.91071 -2.68338 8.6646872184 10.5536015298 0.139434415
+C      1.23521508     -0.73564684      1.60910666
+C      2.72511198     -0.38844423      1.65568810
+C      3.06732569      1.04075551      1.19489455
+C      2.37835270      2.15025667      2.01901284
+C      2.68780747      2.15061741      3.51985713
+C      4.59502618      1.21769494      1.13071086
+N      4.97207097      2.51884775      0.55447155
+H      1.06837412     -1.78935506      1.87579754
+H      0.82168912     -0.57836402      0.60030618
+H      0.64656556     -0.12302415      2.30755828
+H      3.27790714     -1.09818810      1.01645111
+H      3.10860088     -0.54809569      2.67847073
+H      2.69168876      1.14186876      0.15621525
+H      1.28856850      2.07616895      1.87296002
+H      2.68575780      3.11695359      1.59251210
+H      2.36957591      1.22018765      4.01433471
+H      2.16458205      2.97988383      4.01753805
+H      3.76216321      2.28440004      3.71535507
+H      5.01808547      0.35027330      0.58308356
+H      5.01262359      1.17211303      2.15068367
+H      4.72572893      2.53793600     -0.43948959
+H      5.98675891      2.63598067      0.59577160 
+
+18
+-1824.1648194957613 11.719461 13.24682 -11.326 -9.0357 -11.699 0.794 -0.2486 1.513 11.2108 -1.09073 5.3471814178 11.4929814588 0.240916006
+C      2.86520127     -0.89887079     -1.08960864
+C      2.45266619     -0.03029930      0.09762233
+C      2.98137606      1.42073513      0.02548270
+C      2.45075305      2.30505776      1.17721312
+C      2.85980900      3.77314346      1.06877771
+C      4.44812452      1.43403542     -0.00041893
+N      5.61528916      1.43433549      0.00128493
+H      2.45274819     -1.91238377     -0.99304194
+H      3.95869404     -0.98609920     -1.16020135
+H      2.49865333     -0.47747664     -2.03791813
+H      2.79889237     -0.48377683      1.04024898
+H      1.35434488      0.02928402      0.15967813
+H      2.64930846      1.86324529     -0.93242713
+H      2.79826313      1.88213953      2.13346478
+H      1.35264008      2.21661387      1.17240660
+H      3.95305640      3.88598077      1.08816235
+H      2.44696146      4.35554775      1.90363341
+H      2.49110840      4.22128806      0.13366108 
+
+18
+-1790.4462356654942 13.014106 15.00006 -9.2598 -6.9904 -9.157 0.8889 -0.0584 2.437 8.75768 -2.01707 4.130531597 11.8620381864 0.544446119
+C      0.96936563     -0.10836812     -0.00230461
+C      2.50625061     -0.03043076     -0.00751665
+C      3.01189737      1.33947095     -0.00147314
+C      3.41759737      2.48681777      0.00308605
+C      3.87552909      3.87140207      0.00976216
+C      2.71719747      4.88598999      0.03365533
+N      3.25063212      6.25473052      0.00791906
+H      0.63652072     -1.15585367     -0.00419928
+H      0.55150301      0.38986800     -0.88766111
+H      0.55783191      0.38462985      0.88895852
+H      2.90006728     -0.55871784     -0.89260948
+H      2.90641672     -0.56856255      0.86880031
+H      4.50106022      4.07726010     -0.87454655
+H      4.52164063      4.04125008      0.88996423
+H      2.06766368      4.65948655      0.90160160
+H      2.10571953      4.74065132     -0.86977543
+H      3.68221906      6.47907050      0.90856904
+H      2.48734759      6.92303523     -0.11432006 
+
+18
+-1789.6477302781707 13.00317 14.83435 -9.1514 -6.9406 -9.109 0.8461 -0.0946 2.46 8.66575 -2.00506 4.1430293858 10.2341392022 0.640847577
+C      0.97000342     -0.09362170      0.00445452
+C      2.50690743     -0.01837099     -0.00578848
+C      3.01152387      1.35131165     -0.01638864
+C      3.39619456      2.50532600     -0.00278896
+C      3.88637708      3.88688924     -0.03094312
+C      4.98095376      4.05398251     -1.10615771
+N      2.74164909      4.81565020     -0.16203360
+H      0.63708471     -1.14085080      0.01785969
+H      0.55025711      0.39232394     -0.88672381
+H      0.56206778      0.41338082      0.88904944
+H      2.89941470     -0.55969040     -0.88344564
+H      2.90871410     -0.54224118      0.87824030
+H      4.34296383      4.09948724      0.95382334
+H      4.57256987      3.83803804     -2.10420999
+H      5.82374673      3.37125419     -0.92431764
+H      5.36320113      5.08570727     -1.09839212
+H      2.24585644      4.60692815     -1.03412352
+H      3.10164439      5.76998582     -0.25515406 
+
+14
+-1523.8236967289824 11.571279 13.55125 -10.0384 -7.7963 -9.657 0.6887 -0.2633 1.219 9.2018 -0.89444 4.1593211462 9.846844134 0.556211471
+C      0.96320952      0.05562138      0.00312678
+C      2.50151563      0.02854410     -0.00014211
+C      3.09409817      1.36109162     -0.00013617
+C      3.55790752      2.48326803     -0.00002889
+C      4.13066533      3.82785354      0.00007103
+C      3.11698838      4.89093245      0.00006808
+N      2.32868576      5.74920276      0.00006823
+H      0.56614918     -0.96852335      0.00294741
+H      0.57979146      0.57716322     -0.88369269
+H      0.58353369      0.57539935      0.89258921
+H      2.86411806     -0.52444916     -0.88268037
+H      2.86783112     -0.52608610      0.87983335
+H      4.77555000      3.97562066     -0.88310523
+H      4.77545616      3.97553150      0.88333137 
+
+20
+-1942.9123065052925 13.461297 14.94212 -9.1552 -6.9109 -9.051 1.0627 -0.0309 1.446 8.51276 -0.79868 6.322604077 6.322604077 0.404459532
+C      1.09554149     -0.56848114     -0.00993905
+C      2.60817731     -0.34348916     -0.00053136
+C      2.99201670      1.14558739     -0.06852412
+C      4.47285830      1.37910717     -0.00631242
+C      5.20710246      1.96785269     -0.96071058
+C      6.68881108      2.19322103     -0.88325646
+N      7.35958234      1.60159100     -2.05623221
+H      0.84832193     -1.63883604      0.03474437
+H      0.63790464     -0.15842444     -0.92337466
+H      0.61435675     -0.07779975      0.85017930
+H      3.07212942     -0.86918862     -0.85142280
+H      3.04460409     -0.78862361      0.91000540
+H      2.50325662      1.66887026      0.77439076
+H      2.58422673      1.59131264     -0.99133374
+H      4.98059150      1.02552236      0.90175141
+H      4.72456504      2.31109964     -1.88383485
+H      7.06174246      1.82745694      0.09500002
+H      6.89038498      3.27865566     -0.91464037
+H      7.28019327      0.58209459     -2.01450503
+H      8.35865291      1.81849140     -2.03332362 
+
+16
+-1681.9791620127978 12.58414 13.71204 -9.87 -7.853 -9.675 0.2429 -1.4748 -0.128 9.17241 0.64863 5.0185441262 6.4718584238 0.304622995
+C      0.98582302     -0.24618307      0.17185321
+C      2.50721915     -0.09952772      0.12860466
+C      2.95158721      1.34778498     -0.15959799
+C      4.43571608      1.50934293     -0.15633892
+C      5.16063365      1.94006366     -1.20806782
+C      6.57714145      2.07190388     -1.17735910
+N      7.74128565      2.19307797     -1.18357066
+H      0.69347314     -1.28584747      0.37471178
+H      0.52907758      0.04809854     -0.78527696
+H      0.54596676      0.38527976      0.95878986
+H      2.92877800     -0.76283094     -0.64394881
+H      2.94245522     -0.42757625      1.08740847
+H      2.52315094      2.00495440      0.61984686
+H      2.53515298      1.68509827     -1.12285397
+H      4.96155957      1.24142226      0.76637188
+H      4.67366960      2.21377882     -2.14876247 
+
+20
+-1942.1855388891408 13.07273 14.217 -9.2863 -7.0603 -9.173 0.9616 -0.1199 1.451 8.5264 -0.80068 6.420986968 6.420986968 0.410411762
+C      0.92106662      0.17826781      0.14741676
+C      2.43210963     -0.05908534      0.13201221
+C      3.22423559      1.23394280     -0.13906382
+C      4.72300103      1.04901211     -0.13001759
+C      5.46063854      1.10822445     -1.25002043
+C      5.38281690      0.79190426      1.20988807
+N      5.10273497      1.88976242      2.15418586
+H      0.36882937     -0.75485747      0.32996111
+H      0.57237198      0.59108878     -0.81213679
+H      0.64175990      0.89336152      0.93628178
+H      2.68854568     -0.80639998     -0.63757073
+H      2.74228137     -0.48863827      1.09870331
+H      2.95945915      1.97484447      0.63371063
+H      2.91498729      1.64697936     -1.11271834
+H      5.00320439      1.28920222     -2.22537320
+H      6.54443005      0.97174034     -1.22611268
+H      6.45999734      0.59870457      1.04118728
+H      4.96157644     -0.12723803      1.65249055
+H      5.58969164      2.73569955      1.84616918
+H      5.47675212      1.65841443      3.07689684 
+
+16
+-1680.7332478493356 11.995919 13.0265 -9.9982 -7.9775 -9.827 0.2215 -1.5266 -0.131 9.29146 0.59853 5.0445439904 6.4934443864 0.346900468
+C      1.29130250     -0.35607567     -0.52458017
+C      2.79122706     -0.43589967     -0.23976693
+C      3.40514768      0.94472785      0.04684910
+C      4.89515047      0.90005517      0.30236730
+C      5.47655488      1.23056891      1.47109493
+C      5.71260815      0.45975702     -0.79226984
+N      6.33912330      0.09987957     -1.71211646
+H      0.87335719     -1.35302709     -0.72130865
+H      1.08567166      0.27169829     -1.40480927
+H      0.74260886      0.07364024      0.32738915
+H      3.31079666     -0.89194717     -1.09771365
+H      2.97805783     -1.09538762      0.62343209
+H      2.91836702      1.40115090      0.92271553
+H      3.21193620      1.60929983     -0.81269144
+H      4.86975150      1.56852584      2.31195393
+H      6.55568905      1.17423361      1.60902438 
+
+22
+-2083.932327428323 12.994145 14.54339 -9.1479 -6.9034 -10.582 0.8783 -0.0815 3.045 9.93122 -2.74446 8.6909598518 11.0407301252 0.164593052
+C      1.56601969      2.09022803     -1.39188512
+C      2.84660434      2.36019715     -0.59842480
+C      3.97226148      1.38078256     -0.94397690
+C      5.25172207      1.52712915     -0.10125676
+C      6.23420136      0.38709230     -0.40453745
+C      5.92898021      2.90291318     -0.25688218
+N      6.31008408      3.18332475     -1.65171013
+H      0.77292582      2.80879027     -1.13851098
+H      1.17848005      1.07925786     -1.19086992
+H      1.75031904      2.16401451     -2.47478380
+H      2.62906634      2.30450636      0.48336495
+H      3.17899435      3.39260937     -0.79541676
+H      4.23729748      1.49544329     -2.00868184
+H      3.59502002      0.34962926     -0.82107234
+H      4.96797349      1.44983508      0.96577378
+H      6.52031265      0.37778498     -1.46837957
+H      5.78185599     -0.59129824     -0.18490135
+H      7.15245954      0.47470090      0.19704214
+H      6.78049614      2.94627023      0.45434265
+H      5.22434216      3.68922851      0.05562350
+H      7.12802209      2.62719177     -1.91241882
+H      6.59356162      4.16055872     -1.74292830 
+
+22
+-2087.125464260898 13.021613 14.44767 -9.0244 -6.9177 -10.461 0.8378 -0.1178 2.922 9.7768 -2.59984 8.3363350946 10.6323202412 0.118638573
+C      0.92856367      1.54038921      0.96466182
+C      2.43544888      1.68941862      1.18600317
+C      3.25345650      1.20268356     -0.01388236
+C      4.77745881      1.46863486      0.03873127
+C      5.41402009      0.84448629      1.28955111
+C      5.42598752      0.85884446     -1.22053715
+N      4.98249724      2.93526107      0.12077943
+H      0.35868938      1.88886270      1.83825888
+H      0.64922220      0.49055235      0.78261876
+H      0.59386321      2.12587350      0.09392019
+H      2.72472711      1.12543315      2.08791507
+H      2.68866704      2.74252211      1.38335228
+H      2.86148777      1.68399853     -0.93012446
+H      3.09502940      0.11893774     -0.15508042
+H      5.02496162      1.31007311      2.20442893
+H      6.50635118      0.98623668      1.27674922
+H      5.21938299     -0.23704283      1.33238827
+H      4.99022894      1.29549750     -2.13293368
+H      5.28016925     -0.23219016     -1.26788742
+H      6.50936484      1.05548009     -1.23352517
+H      4.65968868      3.36861561     -0.75036642
+H      5.98659369      3.13173184      0.17336868 
+
+18
+-1823.9604677382429 11.798054 13.40552 -11.3652 -9.0431 -11.696 0.783 -0.2584 1.515 11.23445 -1.09344 5.3589104934 11.4144239292 0.165777615
+C      1.11337438     -0.29864217      0.25483236
+C      2.61802067     -0.18616106      0.00448537
+C      3.14539526      1.23326531      0.22350220
+C      4.66185575      1.39689932     -0.02522205
+C      5.11971195      2.86262300      0.09409890
+C      5.43414960      0.54516431      0.88622880
+N      6.04132554     -0.12653192      1.62249190
+H      0.75805141     -1.32496722      0.08757911
+H      0.54418441      0.36519501     -0.41394021
+H      0.86153368     -0.02365688      1.29029189
+H      2.84697800     -0.50326192     -1.02764116
+H      3.15743213     -0.88157559      0.66789577
+H      2.91927719      1.56400249      1.25136949
+H      2.62685573      1.93260476     -0.45378698
+H      4.88576040      1.03857192     -1.04633052
+H      4.91290825      3.25295923      1.09995933
+H      4.57673665      3.47817494     -0.63579593
+H      6.19559901      2.96127645     -0.09816828 
+
+18
+-1788.1431603187648 13.098448 15.26948 -9.2006 -6.8775 -9.165 0.8656 -0.1453 2.489 8.74406 -2.01364 4.1648509218 10.2618500732 0.817605245
+C      0.90318232     -0.01266728      0.01808617
+C      2.43148532     -0.01343207      0.01662580
+C      3.01532659      1.41390188     -0.00266554
+C      4.47341636      1.44555751     -0.00592296
+C      5.68979702      1.44546346      0.00530619
+C      7.15002174      1.45802469     -0.01648512
+N      7.68234750      2.83673940      0.02607244
+H      0.50506162     -1.03695002      0.03198422
+H      0.50257809      0.48875905     -0.87643801
+H      0.50437857      0.51213708      0.89984293
+H      2.81163259     -0.56398137     -0.85822869
+H      2.81337129     -0.54031980      0.90510863
+H      2.63934291      1.97216459      0.87291864
+H      2.63429376      1.94899400     -0.89057911
+H      7.48734959      0.87018699     -0.89547512
+H      7.52777545      0.92673148      0.87413543
+H      7.31380518      3.35962905     -0.77299164
+H      8.69818409      2.80278138     -0.09357425 
+
+14
+-1527.0045669775884 12.642164 13.95592 -10.3693 -8.195 -9.938 0.5222 -1.2687 0.185 9.50827 0.17009 3.5894070986 7.8235661944 1.170338635
+C      0.93418683      0.01947855      0.00613960
+C      2.46144039     -0.00652880      0.00470496
+C      3.05922915      1.41863771      0.00003307
+C      4.50770748      1.43670322     -0.00150222
+C      5.72867261      1.42337553     -0.00272437
+C      7.09226327      1.41290832     -0.00410698
+N      8.26719194      1.40225490     -0.00529517
+H      0.52623187     -1.00036757      0.00946833
+H      0.54053258      0.53330458     -0.88373638
+H      0.54229242      0.53839611      0.89383606
+H      2.83508823     -0.54965240     -0.87646977
+H      2.83683677     -0.54460488      0.88822994
+H      2.69793939      1.97703099      0.88130324
+H      2.69613706      1.97199375     -0.88367033 
+
+22
+-2086.489633539459 13.183942 14.94442 -9.1012 -6.9145 -10.49 0.8908 -0.0416 3.047 9.82334 -2.80679 8.5310179118 10.767130219 0.140434512
+C      1.06461293      0.03124990     -0.64343068
+C      2.57729352      0.21260330     -0.50174084
+C      2.98214466      1.64876465     -0.15794837
+C      4.49526667      1.83645621     -0.02729654
+C      4.93560968      3.27197376      0.29668095
+C      6.43718393      3.33141840      0.61382001
+N      4.51705036      4.17446751     -0.79382822
+H      0.80117200     -1.00978630     -0.88077697
+H      0.66270982      0.66968830     -1.44531910
+H      0.54298690      0.30402834      0.28716601
+H      3.07331572     -0.08909465     -1.44121414
+H      2.95980731     -0.47263316      0.27553995
+H      2.49804293      1.94507009      0.79070852
+H      2.59951668      2.34270178     -0.92362658
+H      4.98988326      1.52193830     -0.96687180
+H      4.88484328      1.16503984      0.75753161
+H      4.37878856      3.59884412      1.19454433
+H      7.02908779      2.99005844     -0.25136814
+H      6.69763103      2.69252971      1.47246806
+H      6.75006852      4.35948493      0.85118664
+H      5.06365135      3.95813957     -1.63457548
+H      4.75331309      5.13957693     -0.54955923 
+
+18
+-1823.670353049253 12.005965 13.94578 -11.4095 -9.0731 -11.786 0.7532 -0.2338 1.474 11.36073 -1.09993 5.3829389802 10.81343899 0.346458362
+C      0.91507158     -0.08846576      0.01536857
+C      2.44415510     -0.05129679      0.01309338
+C      3.00992723      1.37220711      0.00721511
+C      4.53918588      1.41096762      0.00556326
+C      5.08274463      2.85333148      0.00145529
+C      6.54115051      2.91250466     -0.00183524
+N      7.70747372      2.94010213     -0.00118476
+H      0.53965796     -1.12145427      0.01949989
+H      0.50275712      0.41261527     -0.87377388
+H      0.50525066      0.41888412      0.90210450
+H      2.82633509     -0.59651510     -0.86686373
+H      2.82870634     -0.58991279      0.89606680
+H      2.62881083      1.91883991      0.88860966
+H      2.62687096      1.91246899     -0.87725635
+H      4.93021394      0.87892651     -0.87613338
+H      4.93197907      0.88318337      0.88903579
+H      4.71893794      3.40236591      0.88520189
+H      4.71466145      3.39906762     -0.88263680 
+
+22
+-2078.7453976819547 13.326892 15.34779 -8.6196 -6.4497 -10.057 0.9738 0.0478 3.114 9.33805 -2.87278 8.1744093786 11.18291727 0.318460631
+C      2.21443562     -1.84388986      0.11124288
+C      3.48667946     -1.00728879      0.25847077
+C      3.32136437      0.43464098     -0.23059809
+C      4.58704853      1.28112078     -0.07328516
+C      4.41939830      2.71537371     -0.57086664
+N      5.62280168      3.51273065     -0.33355565
+C      5.51492317      4.86984062     -0.86171189
+H      2.36359521     -2.87253624      0.46979628
+H      1.89454275     -1.89990047     -0.94078146
+H      1.38327875     -1.40724544      0.68632429
+H      4.31069622     -1.48632684     -0.29845019
+H      3.80132406     -0.99613505      1.31636712
+H      2.49294697      0.91171946      0.32370080
+H      3.01163523      0.42456930     -1.29123559
+H      5.41672115      0.80065912     -0.62426642
+H      4.89291549      1.30999045      0.98579225
+H      3.58759291      3.19771288     -0.02638572
+H      4.12010761      2.70313007     -1.64487020
+H      6.41978579      3.04412927     -0.77280805
+H      4.74445615      5.42011091     -0.29900924
+H      5.24153950      4.92137159     -1.93797234
+H      6.46798107      5.39875290     -0.72124773 
+
+20
+-1936.7161858223988 13.551249 15.0434 -8.6401 -6.5129 -9.064 1.0845 0.0203 1.451 8.52164 -0.80282 6.3357093972 6.3357093972 0.404544497
+C      2.60014197     -1.54332401      0.96584869
+C      3.62082029     -0.84141061      0.05693811
+C      3.25573011      0.58406620     -0.23991983
+C      3.98961736      1.65755837      0.08404792
+C      3.60058345      3.07643684     -0.20855315
+N      4.62974834      3.75138427     -1.00614037
+C      4.28447429      5.13606305     -1.31633743
+H      2.88026405     -2.59258927      1.13773235
+H      1.59520596     -1.53356391      0.51729814
+H      2.53437364     -1.04176192      1.94218499
+H      3.69143329     -1.40088698     -0.89305989
+H      4.62134013     -0.87639982      0.51700296
+H      2.29390230      0.74015455     -0.74786630
+H      4.95620790      1.52370286      0.58443696
+H      3.51164205      3.63713739      0.74106919
+H      2.59321366      3.10000864     -0.68202385
+H      4.76014135      3.22721569     -1.87518548
+H      4.27695195      5.72748414     -0.38727014
+H      3.29237690      5.26268761     -1.80088086
+H      5.04915101      5.56707690     -1.97736201 
+
+20
+-1936.3178817817577 13.090183 14.29608 -8.6958 -6.5604 -9.212 0.9958 -0.0006 1.454 8.5697 -0.79931 6.4511031674 6.4511031674 0.404836926
+C      0.31945094     -0.49934348      0.32849094
+C      1.78450007     -0.07239700      0.34996877
+C      2.07976639      1.35038273     -0.06286647
+C      1.13983289      2.25280601     -0.38494388
+C      3.54560251      1.72613868     -0.09712902
+N      4.28428830      0.93462499     -1.08966430
+C      5.70788083      1.26065813     -1.11649634
+H      0.22104893     -1.54950224      0.63718204
+H     -0.11206057     -0.40649863     -0.67934835
+H     -0.29205019      0.10679912      1.01344257
+H      2.38805429     -0.73540104     -0.29253100
+H      2.19957060     -0.21847578      1.36494727
+H      0.07511584      2.01676810     -0.36625011
+H      1.41548973      3.26976109     -0.67209190
+H      4.00010638      1.50987525      0.88796410
+H      3.64415752      2.82150332     -0.25852604
+H      3.87705649      1.11671407     -2.01099305
+H      6.17016052      0.95309481     -0.16544288
+H      5.92716117      2.34032551     -1.26080435
+H      6.19959736      0.69764634     -1.92198800 
+
+22
+-2077.5378185094723 13.024995 14.4552 -8.5937 -6.4426 -10.041 0.8926 -0.04 3.067 9.32379 -2.74954 8.146624116 10.7926341392 0.171656665
+C      2.80879827     -1.28573035      1.20615621
+C      2.14748593      0.09044408      1.31862099
+C      2.87529299      1.22769914      0.57407000
+C      2.07327756      2.53279887      0.65396246
+C      4.32850749      1.43003324      1.04105246
+N      4.43270236      1.78347488      2.45872503
+C      5.81296431      2.02818997      2.86981156
+H      2.20273683     -2.05661978      1.70356967
+H      3.80810212     -1.30727209      1.66649255
+H      2.92688824     -1.58469580      0.15289478
+H      2.02731737      0.36629435      2.38165265
+H      1.12084351      0.02883539      0.92012839
+H      2.94210945      0.92776593     -0.48895584
+H      2.03018905      2.89923001      1.68949642
+H      1.04411512      2.38768316      0.29309072
+H      2.53730290      3.32081166      0.04192267
+H      4.76639498      2.26343166      0.46383848
+H      4.93296117      0.53087256      0.78438482
+H      4.05286427      1.01882968      3.02205860
+H      6.19027698      2.93124190      2.36439827
+H      6.51351863      1.19778679      2.63341529
+H      5.85015047      2.21310476      3.95261382 
+
+22
+-2078.576837673673 12.856107 14.09884 -8.3952 -6.3474 -9.832 0.8785 -0.0409 2.955 9.06028 -2.61069 7.7057546972 10.8556686216 0.114712203
+C      2.31855329     -0.87157072     -1.32737127
+C      2.01347029     -0.03519801     -0.08330356
+C      2.71912952      1.34336624     -0.00609756
+C      2.28566179      2.23706417     -1.17854769
+C      2.31300502      2.02895834      1.31720522
+N      4.18520564      1.16078333     -0.14395195
+C      4.87415612      0.43733172      0.92354663
+H      1.84536860     -1.86143358     -1.25180821
+H      3.40141245     -1.01201055     -1.45172832
+H      1.93965824     -0.39686612     -2.24411464
+H      2.27731082     -0.61282343      0.81886535
+H      0.92783109      0.14470399     -0.00949180
+H      2.60248896      1.80838781     -2.13846685
+H      2.73914430      3.23732217     -1.08875676
+H      1.19387035      2.36738914     -1.18978636
+H      2.59062390      1.42286739      2.19182168
+H      1.22475111      2.18794514      1.35958719
+H      2.80077906      3.01180834      1.41317186
+H      4.61168989      2.08430665     -0.25127535
+H      4.55413372     -0.61557291      0.93572260
+H      4.73485272      0.84329360      1.94616419
+H      5.95177312      0.44158729      0.70672559 
+
+22
+-2078.0836253840957 12.953565 14.35375 -8.4948 -6.4351 -9.989 0.9023 -0.0232 3.124 9.23107 -2.81504 8.0163272286 10.5799609534 0.13260187
+C      0.98024119     -0.52813417      0.05277855
+C      2.23314671     -0.30035371      0.89970714
+C      2.66341910      1.17008974      1.02310306
+C      1.58798967      2.07491141      1.66150480
+C      1.17818058      1.68634666      3.08434307
+N      3.91512794      1.22738233      1.79469767
+C      4.65693046      2.47821816      1.65194649
+H      0.78602420     -1.60232498     -0.07657108
+H      1.08895865     -0.08689025     -0.95021986
+H      0.08547793     -0.08690926      0.51539554
+H      3.07333175     -0.85948154      0.45030617
+H      2.09347261     -0.72038146      1.90901792
+H      2.82528153      1.55551795     -0.01267690
+H      0.70758326      2.08590949      0.99919490
+H      1.96342775      3.11094040      1.65985687
+H      0.65747329      0.71736689      3.11272800
+H      0.49737371      2.43622846      3.51210294
+H      2.06116563      1.60931423      3.73424709
+H      4.51246355      0.45415693      1.49394046
+H      4.14647753      3.29269267      2.18741586
+H      4.79401541      2.80382534      0.59763529
+H      5.64953758      2.36451472      2.10916601 
+
+18
+-1782.125537082346 13.125266 15.13938 -8.772 -6.6016 -9.142 0.8765 -0.0041 2.465 8.73297 -2.00839 4.1664379426 11.8055377662 0.6853546
+C      0.97022974     -0.11436468      0.01330217
+C      2.50708872     -0.03584076      0.02108614
+C      3.00787132      1.33526200      0.00536096
+C      3.40043006      2.48604723     -0.02467424
+C      3.87146473      3.86713456     -0.02831644
+N      2.77213528      4.82933908     -0.19805062
+C      3.22581594      6.20594387     -0.01846146
+H      0.64047116     -1.16263742      0.01237951
+H      0.56010880      0.38007252     -0.87739170
+H      0.54989373      0.38014578      0.89946894
+H      2.90876833     -0.57698682     -0.85226667
+H      2.90005066     -0.55739347      0.91020804
+H      4.57925417      4.01374371     -0.86444378
+H      4.45636998      4.04972019      0.90265943
+H      2.04541425      4.61091465      0.48788926
+H      3.91312553      6.47483848     -0.83609064
+H      3.75693637      6.39140727      0.94008245
+H      2.36390122      6.88445381     -0.07451135 
+
+22
+-2079.2462638655775 13.194272 14.78266 -8.529 -6.4612 -10.028 0.9374 0.0451 3.117 9.28095 -2.84279 8.0939548632 10.885474856 0.171341679
+C      1.44703010      0.59503911     -2.20304604
+C      2.52322860      1.50332330     -1.60364822
+C      3.88897685      0.81504090     -1.50491821
+C      4.99708250      1.64386963     -0.83924501
+C      6.25501537      0.79388145     -0.63836188
+N      5.30192848      2.82550974     -1.66119739
+C      6.12426309      3.82976554     -0.98716294
+H      0.47436623      1.10415809     -2.26115426
+H      1.31403586     -0.31458611     -1.59738378
+H      1.72021912      0.27746140     -3.22103162
+H      2.21099334      1.83541509     -0.59793623
+H      2.59452563      2.41487880     -2.22166616
+H      4.23174250      0.52048921     -2.51276863
+H      3.77029211     -0.11722540     -0.92667888
+H      4.63135966      1.95179801      0.17079132
+H      6.64923830      0.46286123     -1.61097733
+H      6.02245638     -0.09344186     -0.03199891
+H      7.04795665      1.34912146     -0.11890768
+H      4.41966110      3.26527676     -1.92814851
+H      7.16611811      3.48655620     -0.90919132
+H      5.77519951      4.08334505      0.03745261
+H      6.13104051      4.75111241     -1.58575092 
+
+17
+-1674.6391534733832 13.966732 13.5188 -7.762 -5.9335 -8.336 0.8734 -0.6789 -0.034 7.83894 0.59213 4.636332484 4.636332484 0.537339121
+C      0.96439831     -0.15617616     -0.21565366
+C      2.43886320      0.07445650     -0.12860592
+C      3.09630127      1.23923270      0.10553477
+C      2.43579486      2.57239552      0.33295096
+C      4.55296182      1.20688605      0.14155368
+N      5.25592732      2.27288521      0.34817423
+N      6.61722418      2.12700937      0.44433749
+H      0.64024264     -0.90205995      0.52929894
+H      0.69021864     -0.56968337     -1.20066433
+H      0.37339417      0.75417561     -0.05809328
+H      3.05786791     -0.81929244     -0.27304203
+H      1.34343419      2.51285914      0.27580338
+H      2.78847522      3.30516575     -0.40758407
+H      2.71670880      2.97426238      1.31757796
+H      5.03863197      0.22423964     -0.01402096
+H      7.08610300      2.99194089      0.18294459
+H      7.00983247      1.31285317     -0.04626175 
+
+17
+-1698.9979931883656 12.474613 12.91559 -8.7574 -6.8295 -9.058 0.7817 -0.7411 0.18 8.45005 0.30357 4.6105805918 5.3370641602 0.461514381
+C      0.87119919     -0.07070551     -0.27866086
+C      2.35917285      0.07062528     -0.34730308
+C      3.11464254      1.13031298      0.01979408
+C      2.55626197      2.41819745      0.56925962
+C      4.60048592      1.08991531     -0.16362899
+N      5.17859880     -0.17728610     -0.21780377
+N      5.36893151      2.11896132     -0.32125329
+H      0.59496419     -0.98463582      0.27173007
+H      0.44874616     -0.18446368     -1.29057174
+H      0.36947474      0.77890882      0.19976167
+H      2.88302278     -0.78289089     -0.78875075
+H      1.50248333      2.32091072      0.85282294
+H      2.61706235      3.22980145     -0.17395344
+H      3.12079177      2.74725085      1.45366854
+H      4.79691280     -0.86483123      0.42674544
+H      6.19621983     -0.13041605     -0.21235482
+H      4.81221927      2.97920508     -0.36012162 
+
+17
+-1675.6518953794427 13.890902 13.5295 -7.7416 -5.8843 -8.279 0.895 -0.6208 -0.007 7.80068 0.55635 4.5834772522 4.5834772522 0.325953806
+C      1.06560287     -0.29298803      0.64470663
+C      2.54897462     -0.25766996      0.44713821
+C      3.26591306      0.87239662      0.27333690
+C      4.70487196      0.99080195      0.08392889
+C      5.60948515     -0.21018200     -0.00484433
+N      5.15419767      2.21467417     -0.00832206
+N      6.49433094      2.38963745     -0.24082642
+H      0.80127419     -0.74960185      1.61314288
+H      0.57286744     -0.90451438     -0.12933531
+H      0.62917907      0.71500011      0.61257054
+H      3.05487571     -1.22902536      0.45276039
+H      2.74745884      1.83726572      0.27718221
+H      5.05132856     -1.15182610      0.00912558
+H      6.32389970     -0.24062950      0.83644821
+H      6.19927343     -0.17689317     -0.93515938
+H      6.77309581      3.33000033      0.02924307
+H      7.12780099      1.67693401      0.13805399 
+
+17
+-1667.8739811971666 13.257348 13.82796 -8.5841 -6.5468 -8.98 1.2188 -0.3183 0.614 8.65779 -0.05652 4.9343204364 5.531263432 0.335203857
+C      0.70584576      0.91334717     -0.75022831
+C      2.20222787      0.89524449     -0.82311928
+C      3.02579225      1.54378938      0.01208074
+C      4.53099638      1.51996027     -0.06443928
+C      5.11359572      2.88454203     -0.30771015
+N      5.90226614      3.42933497      0.54812007
+N      6.46260886      4.64743910      0.23075223
+H      0.26554868      1.28926154     -1.68795308
+H      0.34902692      1.54700607      0.07380840
+H      0.30207637     -0.10130063     -0.60168366
+H      2.64371508      0.29053387     -1.62577039
+H      2.59791341      2.15422519      0.81708213
+H      4.84141806      0.83445437     -0.87252483
+H      4.96112577      1.14046283      0.87634604
+H      4.82776972      3.40258254     -1.24301295
+H      6.67903238      5.16128993      1.08272461
+H      5.91587063      5.21816687     -0.42693229 
+
+17
+-1697.6307501977583 12.466088 13.21548 -8.8727 -6.8832 -9.312 1.2091 -0.1526 0.85 9.07725 -0.34233 4.8480633762 6.1925799588 0.35082419
+C      0.79032138      1.43201154     -1.31608852
+C      2.26022398      1.21267285     -1.12763355
+C      2.98745715      1.68341031     -0.10311218
+C      4.46339696      1.45873509      0.08219818
+C      5.28586306      2.74979943      0.05870617
+N      5.06371805      3.52618995     -1.06394858
+N      6.16976403      3.11104264      0.92377287
+H      0.57694606      1.89298735     -2.29350220
+H      0.37305702      2.07857599     -0.53205264
+H      0.24339549      0.47574168     -1.29911058
+H      2.76397065      0.60470570     -1.89036743
+H      2.49085860      2.28718029      0.66692957
+H      4.83887525      0.79463187     -0.71400766
+H      4.65551833      0.96003033      1.04525409
+H      4.14342631      3.45897866     -1.49057879
+H      5.46258492      4.46059605     -1.01797719
+H      6.26169275      2.39661024      1.65410842 
+
+17
+-1670.6035365957152 12.875362 12.93146 -7.9155 -5.9977 -8.542 0.8181 -0.7001 0.187 8.03834 0.35012 4.6405232108 6.343371732 0.317803944
+C      0.99088328      0.11698040     -0.69130367
+C      2.35180380      0.06074899     -0.03738806
+C      2.83082393     -1.09389169      0.46626922
+C      3.14333475      1.31636915      0.03165531
+C      2.45829649      2.66113527      0.05240225
+N      4.43771513      1.20265019      0.09374631
+N      5.18025954      2.34174448      0.27034011
+H      1.03588850      0.59226056     -1.68393028
+H      0.26717060      0.69209292     -0.09170733
+H      0.58366036     -0.89459389     -0.81415431
+H      2.26464349     -2.02222717      0.37759223
+H      3.80107612     -1.12718188      0.96096512
+H      1.36972974      2.57815722     -0.01771711
+H      2.79131090      3.30374357     -0.78257111
+H      2.69823020      3.19677031      0.98608930
+H      6.13131085      2.19021838     -0.05878988
+H      4.78194231      3.21541319     -0.09218808 
+
+17
+-1667.9298463238965 12.885415 13.16211 -8.6595 -6.6316 -9.157 1.2103 -0.3347 0.58 8.74355 -0.03292 4.9302041012 5.5814653634 0.284309895
+C      3.25242020     -1.55342337     -0.99847948
+C      2.89028122     -0.61683746      0.12222837
+C      2.17323631     -1.00929002      1.18632027
+C      3.38656167      0.81180724     -0.01654207
+C      4.88322209      0.92064291      0.07853878
+N      5.58259402      1.35442497     -0.90840470
+N      6.93809195      1.51261190     -0.72441116
+H      2.82634501     -1.20012786     -1.95186721
+H      2.88724974     -2.57113770     -0.81005843
+H      4.34320309     -1.59208651     -1.14555672
+H      1.81896829     -2.03740350      1.28630294
+H      1.91173172     -0.31293617      1.98594978
+H      2.92482850      1.42980195      0.77160646
+H      3.08342989      1.22785361     -0.99101835
+H      5.35548614      0.61097970      1.03081208
+H      7.42248161      1.42628959     -1.61548152
+H      7.35451856      0.90826070     -0.00445902 
+
+17
+-1697.8925937852111 12.149269 12.63332 -8.9289 -6.9434 -9.423 1.0661 -0.3675 0.808 9.12544 -0.31186 4.8576846898 6.3803319586 0.500676493
+C      3.45291733     -1.10671615      1.87596649
+C      3.35002016     -0.81581180      0.40287312
+C      3.10699766     -1.77159822     -0.50906523
+C      3.55365896      0.62935619     -0.00122209
+C      4.98642562      1.12033080      0.22181360
+N      5.93777467      0.35442621     -0.42548580
+N      5.34426554      2.17057797      0.87749446
+H      4.41382182     -0.75507267      2.28371140
+H      3.35283901     -2.17896634      2.08720936
+H      2.66607232     -0.56976841      2.43054407
+H      2.97337927     -2.81527401     -0.21686588
+H      3.02015211     -1.53677329     -1.57202688
+H      2.88158076      1.28039022      0.57908301
+H      3.30636718      0.75607196     -1.06680517
+H      5.71113966     -0.62420391     -0.58139806
+H      6.89848150      0.55097415     -0.15631733
+H      4.51704645      2.65968728      1.23606094 
+
+17
+-1664.4778309390247 12.93663 13.22733 -8.6227 -6.6101 -9.084 1.2049 -0.387 0.519 8.63625 -0.01161 4.9389451142 5.5141657626 0.314885652
+C      1.00107166      0.06670154      0.06803104
+C      2.49900773      0.15496802     -0.25248297
+C      2.90128667     -0.52869096     -1.54249634
+C      2.08532043     -1.11315441     -2.42803785
+C      2.95940135      1.59300032     -0.29285779
+N      3.88217068      2.01608788      0.49374547
+N      4.32151841      3.31316706      0.34607998
+H      0.79325298      0.53430341      1.03998441
+H      0.66815707     -0.98017123      0.11177767
+H      0.39616228      0.58375678     -0.69261084
+H      3.07211661     -0.31781811      0.56453889
+H      3.97772725     -0.51110267     -1.74457306
+H      1.00423989     -1.16075092     -2.28388344
+H      2.48084503     -1.57535698     -3.33359878
+H      2.48045429      2.25519071     -1.04009430
+H      4.67943680      3.66042249      1.23362200
+H      3.63690087      3.96085707     -0.06503410 
+
+17
+-1694.0720465394354 12.13998 12.68193 -8.9161 -6.9489 -9.692 1.1633 -0.4173 0.706 9.14628 -0.27559 4.8158146176 6.4992965256 0.597546563
+C      0.78520604      0.02642369     -0.20090320
+C      2.29520715      0.28919384     -0.16070757
+C      2.98121150     -0.31780264     -1.36089679
+C      3.93464858     -1.25657642     -1.31282519
+C      2.64000624      1.79032754     -0.05762272
+N      3.99895768      2.02504954      0.07155973
+N      1.81879939      2.78072985     -0.02400811
+H      0.28617506      0.43560673      0.68873069
+H      0.59432573     -1.05448426     -0.22871961
+H      0.32278621      0.47059074     -1.09512057
+H      2.71436462     -0.18513050      0.74428879
+H      2.64888658      0.06283983     -2.33452500
+H      4.28454433     -1.66510459     -0.36085901
+H      4.38862674     -1.65504070     -2.22150123
+H      4.61726538      1.35427913     -0.37759164
+H      4.26199430      3.00094915     -0.04668096
+H      0.84947445      2.44970907     -0.05616760 
+
+17
+-1674.7919702073846 14.439226 13.68101 -7.7057 -5.8352 -8.182 0.7011 -0.7833 -0.025 7.69245 0.62269 4.520653546 4.520653546 0.561603579
+C      1.01398865      0.06617095     -0.12124298
+C      2.50746106     -0.07558333     -0.01789231
+C      3.01310735     -1.49104489     -0.07635469
+C      3.29682302      1.02092381      0.11298911
+C      4.73601848      1.05748281      0.21737793
+N      5.35066887      2.19417221      0.33894222
+N      6.72029399      2.17601249      0.34642593
+H      0.69603195      1.11545980     -0.06481602
+H      0.50634981     -0.49251153      0.68360553
+H      0.64243217     -0.35590733     -1.07074491
+H      2.57779748     -2.09022303      0.74102825
+H      4.10401153     -1.57154366     -0.00835399
+H      2.69627765     -1.97507371     -1.01543885
+H      2.82149792      2.00613285      0.14254543
+H      5.31124175      0.11457681      0.18687979
+H      7.08624047      2.98485516      0.84444885
+H      7.15404783      1.29784058      0.65936072 
+
+17
+-1699.2343789826134 12.672193 13.03753 -8.6497 -6.7386 -9.021 0.8492 -0.67 0.324 8.40881 0.18019 4.6249505692 5.4421050994 0.413973942
+C      1.00362273      0.12204195     -0.22644951
+C      2.48120769     -0.09497351     -0.03087770
+C      2.88513811     -1.53321567      0.15239954
+C      3.32012841      0.96494437      0.01180040
+C      4.78594315      0.99569501      0.24467017
+N      5.54960815     -0.00182557     -0.35581787
+N      5.38450549      1.87326449      0.98394302
+H      0.75333277      1.18240910     -0.35999153
+H      0.43505434     -0.26440838      0.63547603
+H      0.64347266     -0.43305812     -1.10838020
+H      2.28012929     -1.98725326      0.95406998
+H      3.94505971     -1.64945409      0.40035786
+H      2.66821573     -2.11599790     -0.75874010
+H      2.87603221      1.96258112     -0.06606888
+H      5.22959627     -0.31824168     -1.26732465
+H      6.54918703      0.18997133     -0.30772632
+H      4.69005626      2.48994082      1.42173975 
+
+19
+-1810.3488337642434 12.774976 13.36599 -8.5841 -6.5411 -9.191 1.0142 -0.1155 0.886 8.73318 -0.26309 4.9471405888 5.7018929652 0.18388392
+C      0.94753224     -0.10129428     -0.03450230
+C      2.48778604     -0.01649715      0.04439400
+C      2.98764712     -0.71439496      1.31606114
+C      3.09462116     -0.69798417     -1.20291365
+C      2.88184938      1.44504778      0.01905727
+N      3.58047776      1.99711158      0.94181432
+N      3.96078434      3.31284893      0.77078612
+H      0.56351452      0.41550769     -0.92772818
+H      0.48268930      0.35624823      0.85110072
+H      0.62330481     -1.15178148     -0.08901707
+H      2.56877864     -0.24421667      2.21644738
+H      4.08181995     -0.65794148      1.39373826
+H      2.69004628     -1.77356717      1.30339304
+H      2.76554987     -0.20320366     -2.12971873
+H      2.78049097     -1.75190857     -1.25403311
+H      4.19329840     -0.66667186     -1.17108238
+H      2.53984055      2.02475455     -0.86319804
+H      4.08550518      3.75470112      1.67980449
+H      3.33452347      3.86585157      0.17032675 
+
+19
+-1837.3624392240229 12.014606 12.81732 -8.867 -6.8908 -9.894 0.7634 -0.2072 1.103 9.12128 -0.45826 4.8610323118 6.4019179212 0.176239607
+C      0.97254902     -0.20875011      0.42884503
+C      2.42427586      0.02399843     -0.01669897
+C      3.37322791     -0.66331916      0.98969331
+C      2.60976833     -0.59802707     -1.41936412
+C      2.74340626      1.53714810     -0.06687813
+N      4.04135046      1.84593616     -0.46016995
+N      1.97005722      2.51050397      0.27103171
+H      0.25371717      0.25646325     -0.26166060
+H      0.79065252      0.18291052      1.44038052
+H      0.76245134     -1.28784067      0.45198529
+H      3.24906208     -0.23682677      1.99559951
+H      4.42667300     -0.54157206      0.70429923
+H      3.15219075     -1.74014089      1.04319595
+H      1.99134737     -0.08243697     -2.16847484
+H      2.31130035     -1.65691287     -1.40121642
+H      3.65609313     -0.56911632     -1.75901789
+H      4.48434499      1.23275197     -1.13695906
+H      4.16853572      2.83780141     -0.65252907
+H      1.07368653      2.15780908      0.61836849 
+
+19
+-1813.2539260968995 12.570864 13.27859 -8.341 -6.3464 -8.978 0.7975 -0.1563 0.987 8.48419 -0.31378 4.9456279596 10.8991009174 0.205063307
+C      0.93896095     -0.10290956     -0.21718908
+C      2.45575413      0.05430418     -0.01014288
+C      3.24397215     -0.81799637     -1.00168841
+C      2.87850624      1.50963139     -0.06909130
+C      2.71797653      2.29452561     -1.34628698
+N      3.34962730      2.02245378      1.02052771
+N      3.66740064      3.37160630      1.01807494
+H      0.37760104      0.48739093      0.52083296
+H      0.64252211     -1.15711030     -0.10978732
+H      0.62939280      0.22441636     -1.22222883
+H      2.69992191     -0.27582788      1.01222495
+H      3.04378907     -0.53142845     -2.04631525
+H      2.95850341     -1.87500630     -0.89312155
+H      4.32691063     -0.73870563     -0.82906445
+H      2.25926616      1.69601641     -2.14227902
+H      3.69055795      2.65364257     -1.72819133
+H      2.09043428      3.18552762     -1.17914316
+H      4.33048183      3.55275919      1.76934996
+H      4.01952087      3.74006015      0.12650905 
+
+19
+-1810.1612781613048 12.874964 13.62471 -8.5914 -6.5235 -9.232 1.2854 -0.0839 0.83 8.79608 -0.23174 4.9475869384 5.6845845196 0.171139975
+C      0.89648058     -0.39442571      0.13740513
+C      2.36989785     -0.20784252     -0.24076956
+C      2.79077178     -1.19293390     -1.33692012
+C      2.66201950      1.24681273     -0.68008395
+C      2.48582842      2.25651263      0.41061362
+N      1.61225067      3.19544918      0.32535240
+N      1.45351539      4.03482663      1.40874200
+H      0.58576234      0.31184828      0.92006816
+H      0.70915082     -1.41527453      0.50187048
+H      0.24763176     -0.22444373     -0.73692748
+H      2.98412747     -0.41482304      0.65598288
+H      2.21381148     -1.02040496     -2.25981894
+H      2.61507515     -2.23302867     -1.02467507
+H      3.85808536     -1.08966594     -1.58440732
+H      2.00709078      1.52290644     -1.52218829
+H      3.70410488      1.29411946     -1.04554291
+H      3.13059703      2.15887683      1.30769966
+H      1.11359325      4.94145758      1.09296325
+H      2.28768549      4.13411324      2.00261605 
+
+19
+-1838.9355574766132 12.166193 13.10305 -8.9049 -6.9027 -9.872 0.7394 -0.2275 1.079 9.11112 -0.47192 4.89620714 6.3877339228 0.188949647
+C      0.91850137      0.08127582      0.04690804
+C      2.43570949     -0.08582107     -0.09690478
+C      2.78481038     -1.00127357     -1.27548570
+C      3.11300729      1.29856991     -0.22760129
+C      4.63050666      1.25808517     -0.28412443
+N      5.24257124      0.93133227      0.91819860
+N      5.37137671      1.53125067     -1.30376343
+H      0.66064760      0.70635689      0.91477073
+H      0.42366594     -0.89301069      0.17160436
+H      0.49217323      0.55894793     -0.84979593
+H      2.80586812     -0.56607539      0.82872158
+H      2.40554623     -0.57795427     -2.21983348
+H      2.32975029     -1.99455269     -1.14927400
+H      3.87066601     -1.13252055     -1.38289380
+H      2.80505574      1.93165934      0.62169744
+H      2.74609255      1.78801435     -1.14375747
+H      4.72188937      0.35622555      1.57255268
+H      6.22947861      0.69772150      0.83291608
+H      4.78422318      1.82436884     -2.09221521 
+
+15
+-1537.096384106401 11.655816 12.35131 -8.9349 -7.0179 -9.84 0.8753 -0.18 0.952 9.13196 -0.30887 4.3242721206 10.5771960656 0.356598127
+C      0.95712605     -0.08711545      0.05345139
+C      2.49953396      0.02722340     -0.01228960
+C      3.03366131     -0.68822286     -1.16898697
+C      3.47288644     -1.25627459     -2.14897814
+C      2.92446891      1.51320749      0.02900196
+N      3.02238391      2.11704535     -1.20484817
+N      3.07675325      2.19834291      1.10788173
+H      0.58350193      0.41864502      0.95320587
+H      0.65467272     -1.14166900      0.08497823
+H      0.50179796      0.38275721     -0.82763451
+H      2.92447722     -0.43682495      0.89391970
+H      3.85894314     -1.77887760     -3.00048281
+H      3.29466120      1.52326560     -1.98431702
+H      3.42685837      3.04982986     -1.18886875
+H      2.90589362      1.61575762      1.93494709 
+
+17
+-1667.355896062814 12.578006 12.91643 -8.4116 -6.4443 -8.972 1.2933 -0.2382 0.646 8.44829 -0.11363 4.8193730158 6.4590630686 0.285184872
+C      1.04850412      0.05748223      0.11882268
+C      2.54221848      0.13981555     -0.00900701
+C      3.31495694     -1.16993000     -0.02886678
+C      3.55338006     -1.64420302     -1.44052661
+C      3.11515604     -2.80760660     -1.93444773
+N      3.06960597      1.31213109     -0.13916774
+N      4.42900504      1.42149880     -0.36724270
+H      0.60945967      1.06031753      0.05916318
+H      0.75605166     -0.40612154      1.07514053
+H      0.62285051     -0.56680583     -0.68402518
+H      2.75552148     -1.93521004      0.53059583
+H      4.28388854     -1.05048464      0.49348105
+H      4.09957896     -0.95160669     -2.08924496
+H      2.55936485     -3.51820159     -1.31670468
+H      3.29947942     -3.09010785     -2.97200533
+H      4.74395578      2.33460249     -0.04423393
+H      5.01063248      0.67259011      0.02995941 
+
+15
+-1511.8500291821767 11.85328 12.46625 -8.4457 -6.5039 -9.08 1.0658 -0.1222 0.763 8.59127 -0.12504 4.3264666728 10.7609433176 0.59875363
+C      0.97658349      0.04679057      0.29853970
+C      2.45862835     -0.00815989      0.07999819
+C      3.10796759     -1.37707423     -0.12061039
+C      3.60699762     -1.59437498     -1.47632173
+C      4.02692701     -1.73414543     -2.60773104
+N      3.12958894      1.09315108      0.09700206
+N      4.50176672      1.01813140     -0.07261574
+H      0.66011184      1.08374057      0.46105431
+H      0.67996000     -0.55850703      1.17132125
+H      0.43389483     -0.35781297     -0.57141051
+H      2.38834381     -2.17006592      0.13383399
+H      3.95222225     -1.46445268      0.58901676
+H      4.38003729     -1.87383620     -3.60904478
+H      4.80752537      0.33786860     -0.77943931
+H      4.84956489      1.94740712     -0.30182277 
+
+15
+-1519.2242034034052 13.387976 13.85113 -7.9776 -6.0552 -8.409 0.938 -0.6011 0.251 7.94822 0.33052 3.7449847314 10.6681397966 0.375394475
+C      0.93970072     -0.05750812     -0.01567609
+C      2.39197969     -0.00583607     -0.02187436
+C      3.60955928      0.07158224     -0.03798771
+C      5.03222573      0.05650755     -0.04334490
+C      5.74162345     -1.27607950      0.04287902
+N      5.65449561      1.20125420     -0.12908183
+N      7.02061936      1.16762963     -0.19378704
+H      0.51110839      0.94366248      0.14046552
+H      0.56572590     -0.71136457      0.78709906
+H      0.54858271     -0.44415516     -0.96965778
+H      5.02066292     -2.09933349      0.07189316
+H      6.36434788     -1.34263787      0.95249078
+H      6.40579000     -1.41897148     -0.82509236
+H      7.40675737      2.07080318      0.07043941
+H      7.49412098      0.38539699      0.27152512 
+
+15
+-1514.2081083926396 12.718894 13.95117 -8.7149 -6.64 -9.047 1.3514 -0.1578 0.7 8.72412 -0.10563 4.1386650786 10.3090887392 0.41625288
+C      0.96399395     -0.01549460     -0.10220210
+C      2.41755042     -0.01331340     -0.02202412
+C      3.63090174     -0.01670824      0.05769491
+C      5.09082650      0.00764959      0.14226480
+C      5.65528196      1.40383211      0.04902229
+N      6.43799581      1.84485699      0.96501782
+N      6.86776952      3.14933686      0.88205794
+H      0.55238580      0.97639798      0.13757143
+H      0.52902260     -0.73641820      0.60609068
+H      0.61773563     -0.28746230     -1.11067684
+H      5.50815196     -0.61452170     -0.67112973
+H      5.43373632     -0.43571392      1.09008992
+H      5.35468820      2.01917820     -0.81837021
+H      7.76277470      3.25233254      1.35594116
+H      6.89146489      3.54328811     -0.06682793 
+
+15
+-1544.4808639483088 12.081097 13.31715 -8.882 -6.8799 -9.431 0.6657 -0.237 1.032 9.06796 -0.38129 4.1236999684 10.232502587 0.4875469
+C      0.97564360     -0.03209307     -0.34755071
+C      2.40961124      0.01897003     -0.10127213
+C      3.60591687      0.04391067      0.12000102
+C      5.04162924      0.10628504      0.36723068
+C      5.72350910      1.43297021     -0.01416493
+N      5.14679815      2.07915153     -1.08320393
+N      6.79835718      1.88915867      0.52725215
+H      0.53692648      0.97672995     -0.36522112
+H      0.46284686     -0.60331842      0.44049702
+H      0.75194017     -0.51404729     -1.31081988
+H      5.54625438     -0.69394868     -0.20120176
+H      5.24999479     -0.08510537      1.43109493
+H      4.15440099      1.91651914     -1.23454956
+H      5.48682450      3.02239166     -1.24977542
+H      7.12678645      1.25730590      1.26533365 
+
+17
+-1672.6284181776011 14.538522 14.03832 -7.8736 -5.9902 -8.361 0.6916 -0.8273 -0.088 7.91453 0.63941 4.6334932046 4.6334932046 0.541430364
+C      2.39489460     -0.83690687      1.23036621
+C      2.88626779     -0.20942800     -0.08454228
+C      3.09456640      1.27059074      0.01680309
+C      4.26545505      1.90867693     -0.19781656
+C      4.43989184      3.33753406     -0.08635487
+N      5.59255029      3.88639151     -0.31181590
+N      5.70374921      5.23430143     -0.10792785
+H      2.21404313     -1.91452858      1.10918129
+H      1.45380229     -0.37374343      1.56344260
+H      3.13600325     -0.70058206      2.03087387
+H      2.13992221     -0.41749591     -0.87293258
+H      3.82270608     -0.69281154     -0.40585369
+H      2.21715321      1.86589071      0.30263788
+H      5.15947861      1.34066865     -0.47629136
+H      3.56154012      3.94773874      0.20036148
+H      6.45915591      5.62429134     -0.66716564
+H      4.83355001      5.77575226     -0.18746570 
+
+17
+-1698.0982647721532 12.867069 13.38438 -8.8028 -6.899 -9.246 0.5604 -0.9939 0.049 8.59589 0.43727 4.5922678596 5.4697911732 0.558845334
+C      2.56131762     -0.68387649      1.50228504
+C      3.25425938     -0.26355427      0.19610929
+C      3.16887728      1.21123473     -0.05537396
+C      4.22287342      2.03037019     -0.21873831
+C      4.16123941      3.48351005     -0.48766947
+N      2.94268974      4.11217855     -0.24738308
+N      5.13602748      4.17994802     -0.98012229
+H      2.61312196     -1.77306841      1.63938252
+H      1.49920379     -0.39671259      1.49945681
+H      3.03635839     -0.20692938      2.37142887
+H      2.77451783     -0.79535597     -0.64483110
+H      4.30939409     -0.57931288      0.20795067
+H      2.15698383      1.62882009     -0.12403764
+H      5.23514755      1.61320070     -0.18901068
+H      2.43426235      3.79449050      0.57383135
+H      3.01343898      5.12589366     -0.31673017
+H      5.93107690      3.56434352     -1.18830784 
+
+17
+-1671.5959633978846 13.511572 13.09835 -8.0822 -6.1802 -8.579 0.5757 -0.9574 -0.155 8.07929 0.65765 4.6610180966 4.7485026182 0.521332353
+C      2.38055816     -0.54838893      1.24438707
+C      2.46429819      0.18758883     -0.10290937
+C      2.94019331      1.61693729      0.03112228
+C      2.08495165      2.66368860     -0.01172458
+C      4.36236952      1.86731178      0.22775191
+N      5.22934645      0.90659791      0.24751375
+N      6.55045013      1.24278560      0.34394031
+H      2.01786523     -1.57652751      1.10067488
+H      1.68974103     -0.03550507      1.92950776
+H      3.36697410     -0.59972537      1.72449733
+H      1.47484336      0.19037290     -0.58493237
+H      3.15461561     -0.35587036     -0.76618822
+H      1.01548840      2.51550510     -0.16746434
+H      2.43463285      3.69160258      0.10562768
+H      4.67729056      2.92151023      0.34784464
+H      7.09036893      0.48320777      0.75202950
+H      6.75338253      2.15152867      0.77977176 
+
+17
+-1696.2220283232323 12.169243 12.61171 -8.8919 -6.9636 -9.411 0.6209 -0.9401 0.173 8.76981 0.25005 4.6331336452 5.641548979 0.440224132
+C      3.40914543     -0.36075470     -1.57559018
+C      2.97851743      0.16973248     -0.19936858
+C      3.29968077      1.63204270      0.00338865
+C      2.33567917      2.56334664      0.12198515
+C      4.74918641      2.01463570      0.08693541
+N      5.05215960      3.29195412     -0.36561370
+N      5.69644062      1.29145920      0.58831266
+H      3.17820943     -1.43102955     -1.66988269
+H      4.48956009     -0.23266582     -1.73000803
+H      2.88346471      0.17267140     -2.38065959
+H      3.46809722     -0.42918090      0.58798108
+H      1.89660408      0.02596352     -0.06125677
+H      1.28041352      2.28533539      0.08559754
+H      2.57159392      3.61391984      0.29470361
+H      4.51254376      3.63241930     -1.15615237
+H      6.05285626      3.47111036     -0.42040635
+H      5.31629757      0.41919032      0.97071415 
+
+17
+-1668.695401462036 13.146629 12.893 -8.0709 -6.1984 -8.581 0.2677 -1.2798 -0.195 8.06396 0.68099 4.3198830162 4.7829707262 0.337902548
+C      1.42380672      0.15924355      1.52289088
+C      1.90099110      0.47317877      0.09472266
+C      2.78186686      1.70038243      0.00716085
+C      2.19429954      3.03467716     -0.08735823
+C      0.88513327      3.33756206      0.02634276
+N      4.06707019      1.46478247      0.00592167
+N      4.95346102      2.51013523     -0.04143989
+H      0.79090532     -0.74017877      1.53311365
+H      0.84191854      0.98609495      1.95435190
+H      2.28442053     -0.02332583      2.18220972
+H      1.03275409      0.59302397     -0.57341788
+H      2.48854190     -0.37463786     -0.28509926
+H      2.87705084      3.85434464     -0.33159424
+H      0.12854717      2.58595513      0.25642519
+H      0.53376938      4.36022625     -0.11417220
+H      5.87596095      2.18577698      0.23882619
+H      4.68725259      3.36394889      0.45855622 
+
+19
+-1809.816924749676 12.813736 13.5415 -8.5849 -6.5365 -9.189 1.1618 -0.1161 0.871 8.73959 -0.25974 4.9710574882 5.6871882256 0.179951282
+C      3.09827410     -0.94148022     -0.74786473
+C      2.67245063      0.01758702      0.36448600
+C      3.06849744      1.48896789      0.11057401
+C      2.45160623      2.41325055      1.17464475
+C      4.56275650      1.65222021      0.07780186
+N      5.17687112      2.06029348     -0.97383384
+N      6.55578796      2.10810048     -0.94572584
+H      2.80093581     -1.97415058     -0.51631295
+H      4.18752753     -0.92724607     -0.89685671
+H      2.63428341     -0.66451403     -1.70675085
+H      3.10540148     -0.30677453      1.32804498
+H      1.57786053     -0.02602809      0.49473396
+H      2.69534484      1.78636215     -0.88407004
+H      2.83402628      2.17072773      2.17912280
+H      1.35728915      2.30235761      1.19969028
+H      2.68557258      3.46727637      0.96911797
+H      5.11804157      1.40205559      1.00583874
+H      6.88756230      2.82094523     -1.59288037
+H      6.96409053      2.23396923     -0.01001002 
+
+19
+-1838.0831754394503 12.068575 13.01992 -8.8292 -6.8523 -9.775 0.7707 -0.1789 1.127 9.00321 -0.49971 4.9122757256 6.3459258436 0.181571962
+C      2.98967735     -0.96827513     -1.01737850
+C      2.52222384     -0.04863655      0.11116100
+C      3.17223314      1.34839541      0.09261020
+C      2.56514652      2.26438073      1.16679270
+C      4.69344384      1.25941103      0.26340900
+N      5.42672610      1.74547744     -0.80606416
+N      5.32015583      0.74765335      1.26723392
+H      2.49540625     -1.94810505     -0.95770377
+H      4.07545097     -1.13487206     -0.97190207
+H      2.75773058     -0.53686943     -2.00341148
+H      2.72497036     -0.52211467      1.08779289
+H      1.42863759      0.08458259      0.05886813
+H      2.96447487      1.79257433     -0.89843550
+H      2.72769376      1.85112761      2.17350546
+H      1.48095782      2.36925967      1.01573148
+H      3.01400665      3.26757222      1.14300146
+H      5.00047501      2.45668834     -1.39032871
+H      6.41996069      1.86816452     -0.61906145
+H      4.65280883      0.36567565      1.94753941 
+
+19
+-1811.4009800752826 12.507745 13.31245 -8.2999 -6.3162 -8.969 0.8832 -0.2117 0.995 8.46963 -0.3186 4.8770389044 5.6329443506 0.178563935
+C      1.33301801      0.01858343     -1.20614877
+C      2.10321274      0.29276438      0.09679795
+C      3.00583464      1.50012081      0.00907885
+C      2.37366271      2.87523824      0.03913412
+C      2.30541350      3.47082822      1.45869943
+N      4.27434156      1.27200179     -0.09285693
+N      5.13477467      2.34731025     -0.26374507
+H      0.67961226     -0.85895781     -1.09723103
+H      2.03302622     -0.17457606     -2.03167805
+H      0.69817664      0.86979607     -1.49445826
+H      2.72467545     -0.57755195      0.35148138
+H      1.38247223      0.43432356      0.92243662
+H      1.35246908      2.80864339     -0.36677889
+H      2.92378765      3.55499130     -0.63262883
+H      1.71990136      2.82310175      2.12683849
+H      1.82962954      4.46192227      1.44757429
+H      3.30358328      3.57993000      1.90761427
+H      6.07168194      2.06034293      0.01277561
+H      4.86664651      3.20998741      0.22101483 
+
+15
+-1515.1409472092605 13.843948 14.19135 -8.1285 -6.1736 -8.501 0.7066 -0.8719 0.102 8.09796 0.44354 3.693666926 11.1287229894 0.394718907
+C      0.97429773     -0.06043976     -0.00080148
+C      2.51269168     -0.04679004      0.03355969
+C      3.07230344      1.29791170      0.02040576
+C      3.49163502      2.44478442      0.01762425
+C      4.08366157      3.72831840     -0.00254595
+N      3.37477755      4.81425844      0.07477985
+N      4.05128312      5.99571395      0.12441143
+H      0.60109037     -1.09379063      0.01079301
+H      0.60119551      0.43477397     -0.90708381
+H      0.56171777      0.46902451      0.86821568
+H      2.90993979     -0.61238487     -0.82709629
+H      2.86937951     -0.57790324      0.93335576
+H      5.18591238      3.77249143     -0.08323033
+H      3.47235892      6.76484005     -0.20367644
+H      4.99763564      6.00184167     -0.27659115 
+
+15
+-1542.899348960563 12.486528 13.62286 -8.8449 -6.952 -9.397 0.999 -0.6588 0.316 8.72544 0.1988 3.677982697 11.3461696362 0.293697396
+C      0.95623118     -0.06076659      0.00007132
+C      2.49466132     -0.06043161      0.00374501
+C      3.07347871      1.27615596      0.01184957
+C      3.53202584      2.40562985      0.02331205
+C      4.01477562      3.76240807      0.01304259
+N      5.38809292      3.89963392      0.15328473
+N      3.26380290      4.81378728     -0.07252268
+H      0.57714412     -1.09181458     -0.00566505
+H      0.56739217      0.45635697     -0.88713221
+H      0.56358621      0.44775997      0.89050386
+H      2.87120386     -0.60500265     -0.87881509
+H      2.86781727     -0.61449572      0.88165638
+H      5.96212605      3.12468608     -0.16246759
+H      5.73584807      4.82899779     -0.07348853
+H      2.27817378      4.53352525     -0.09808437 
+
+19
+-1813.3216757796065 12.704121 13.62163 -8.3329 -6.325 -9. 0.8296 -0.1112 0.964 8.51564 -0.29973 4.9346675972 5.6249472536 0.170623074
+C      0.92649207      0.03972426     -0.23860327
+C      2.44597991     -0.09406853     -0.12314503
+C      3.13765759      1.24917977      0.17459282
+C      4.64001574      1.15865667      0.24259887
+C      5.42159866      0.87477406     -1.01581472
+N      5.19133910      1.31578948      1.40212912
+N      6.56423707      1.15356639      1.49345716
+H      0.45236546     -0.93129037     -0.44222659
+H      0.64711144      0.72582062     -1.05340007
+H      0.49038049      0.43615527      0.69119001
+H      2.84858603     -0.52408749     -1.05603046
+H      2.70157021     -0.80489057      0.67982847
+H      2.77787275      1.64400889      1.13665371
+H      2.85080122      1.97758802     -0.60684182
+H      4.76179498      0.75302581     -1.88322039
+H      6.02701725     -0.04066444     -0.90974266
+H      6.12259376      1.69617432     -1.24993125
+H      6.89791716      1.64430890      2.32092291
+H      7.09827908      1.43553894      0.66257316 
+
+19
+-1809.3348068777248 12.841613 13.6643 -8.5994 -6.5139 -9.237 1.0924 -0.1678 0.832 8.80708 -0.23786 4.9504014206 5.6896183512 0.17428407
+C      1.45297733     -1.06397719     -0.01530452
+C      2.94284033     -0.71793406     -0.02931571
+C      3.20999073      0.78213503      0.12473887
+C      4.70444220      1.15528891      0.10650256
+C      5.46756283      0.63836381      1.28769856
+N      6.49622908     -0.11848744      1.14524331
+N      7.20580632     -0.46961553      2.27505288
+H      1.28890582     -2.14477266     -0.13365499
+H      0.91706106     -0.55433750     -0.83117482
+H      0.98108660     -0.75681929      0.93106258
+H      3.39785738     -1.06839866     -0.97185091
+H      3.46084429     -1.26649131      0.77513655
+H      2.75384166      1.14182803      1.06510953
+H      2.70031470      1.32892637     -0.68682388
+H      4.78968167      2.25680160      0.08387482
+H      5.18667412      0.77658380     -0.80796701
+H      5.11849657      0.94360343      2.29534261
+H      7.66736932     -1.36506682      2.12689608
+H      6.65911801     -0.46819053      3.14651349 
+
+19
+-1838.3277640668698 12.32391 13.56171 -8.8983 -6.8847 -9.868 0.7612 -0.2133 1.088 9.11783 -0.4822 4.8977445664 6.4008144458 0.193137131
+C      0.95540774     -0.19659656     -0.02998460
+C      2.48002639     -0.08355189      0.01587365
+C      2.97410124      1.36589595     -0.00377409
+C      4.50885652      1.47830351      0.04340989
+C      5.00343126      2.91493333      0.04597520
+N      5.02424342      3.51937679     -1.20344175
+N      5.41273449      3.58431628      1.06917064
+H      0.62966286     -1.24638945     -0.01355452
+H      0.54886510      0.26426453     -0.94349719
+H      0.49248665      0.31025410      0.83053194
+H      2.91848008     -0.62814860     -0.83835299
+H      2.86158989     -0.58333739      0.92298949
+H      2.54704440      1.91542520      0.85223665
+H      2.58724908      1.86561485     -0.90959248
+H      4.94485879      0.94074053     -0.81598241
+H      4.88288162      0.98256041      0.95217839
+H      4.37448582      3.17615115     -1.90340081
+H      5.12848633      4.53134930     -1.17545907
+H      5.41156833      2.98535798      1.90194408 
+
+20
+-1928.963908933518 12.55604 14.20565 -8.922 -6.8453 -10.518 0.9722 0.0821 3.265 9.80758 -3.3297 8.7019326128 11.2365164178 0.177572257
+C      0.43165868     -0.51345533     -0.71114087
+C      1.89057868     -0.56281608     -0.25352208
+C      2.57243382      0.80800696     -0.27349916
+C      4.03283121      0.75346765      0.17109045
+N      4.64300725      2.08592498      0.16933161
+C      6.10438673      2.10698311      0.06072866
+C      5.25169140      2.49206656     -1.10283771
+H     -0.03187301     -1.51015545     -0.68595135
+H      0.35108873     -0.13331332     -1.74109817
+H     -0.16505278      0.14956941     -0.06630060
+H      2.45371321     -1.26088020     -0.89707367
+H      1.94197066     -0.98068280      0.76683012
+H      2.02984903      1.50960719      0.38162719
+H      2.52055827      1.23088218     -1.29209330
+H      4.59567443      0.04599482     -0.47899946
+H      4.09606400      0.36275889      1.20114260
+H      6.62467223      1.14512087     -0.00676158
+H      6.61359770      2.87090687      0.65234068
+H      5.12812068      3.54203324     -1.37670071
+H      5.20782907      1.78313046     -1.93752266 
+
+18
+-1784.037189751707 12.541195 13.69923 -8.9944 -6.9505 -9.485 1.737 0.1077 1.392 8.9573 -0.82654 6.675096275 6.675096275 0.460942531
+C      2.06792245     -1.03013916     -0.12751295
+C      2.23133411      0.23728155     -0.52386485
+C      3.06977717      1.26353905      0.17893440
+C      4.20489233      1.80074082     -0.70343946
+N      4.91587408      2.88999523     -0.03019134
+C      6.04071943      2.47266462      0.81658733
+C      6.28288120      3.13092787     -0.50114817
+H      1.44119686     -1.72757703     -0.68521313
+H      2.55289854     -1.41047710      0.77547641
+H      1.72471877      0.57492698     -1.43638874
+H      3.48963596      0.83800344      1.10474875
+H      2.44362988      2.12327988      0.47391677
+H      3.78847627      2.20508517     -1.64154509
+H      4.88636208      0.96683569     -0.98038116
+H      6.26043149      1.40076215      0.87957267
+H      6.16814321      3.03133069      1.74632761
+H      6.58823894      4.17863387     -0.54886744
+H      6.66458723      2.49520629     -1.30774162 
+
+16
+-1628.3541220463044 12.039789 13.39252 -9.1572 -7.1091 -9.798 0.9978 0.0949 2.393 9.42991 -1.98309 4.3695270106 10.6159788864 0.880798712
+C      1.39411606     -0.65652931     -0.89287882
+C      2.58114520     -0.41013316     -0.82691466
+C      4.00120831     -0.10949632     -0.71109411
+C      4.44835039      0.09258949      0.74784965
+N      5.88530290      0.35886853      0.79497530
+C      6.26278832      1.77669463      0.71043132
+C      6.35367263      1.04104014      2.00542078
+H      0.34934337     -0.87975655     -0.96381371
+H      4.23430433      0.79912046     -1.29148109
+H      4.59800604     -0.92333731     -1.15361317
+H      4.25018557     -0.82613014      1.32119854
+H      3.85013357      0.90768541      1.20711753
+H      5.45715966      2.51356038      0.61683208
+H      7.16425217      1.99382188      0.13366072
+H      7.32240534      0.71079090      2.38639244
+H      5.61058616      1.29120096      2.77037720 
+
+18
+-1786.651589233912 12.624811 13.83286 -8.9363 -6.8885 -9.064 0.9933 0.137 1.495 8.53305 -0.85814 6.3631351004 6.3631351004 0.404829993
+C      1.18222854      1.52969410      1.30893487
+C      2.55653038      1.18951977      0.81925340
+C      3.26141499      1.90608761     -0.06626068
+C      4.62845921      1.53879762     -0.56249353
+N      5.57675444      2.64816160     -0.37415784
+C      6.26196499      2.66559241      0.92227704
+C      6.98805333      2.25531822     -0.31660070
+H      0.46444469      0.72874312      1.06888138
+H      0.81417032      2.46386327      0.86272797
+H      1.16787821      1.64249196      2.40491806
+H      3.00352862      0.27210016      1.22349059
+H      2.83941514      2.83117167     -0.47580206
+H      4.59270723      1.33621159     -1.64792094
+H      4.97162941      0.60568530     -0.06493714
+H      6.01365331      1.87507372      1.63865318
+H      6.42604786      3.65338287      1.35853693
+H      7.69063810      2.93776518     -0.80022074
+H      7.22675121      1.19105982     -0.42051980 
+
+18
+-1786.8104739642188 12.394759 13.34245 -8.9691 -6.9381 -9.158 1.2682 0.031 1.506 8.53024 -0.86551 6.4496401326 6.4496401326 0.411165892
+C      3.12148751     -1.49610323      1.21596380
+C      2.78592857     -0.56888981      0.08093327
+C      2.10201002     -0.96080142     -1.00462289
+C      3.25573103      0.86065313      0.22745200
+N      4.71645042      0.93119087      0.39285841
+C      5.47668601      1.03211550     -0.85809875
+C      5.31995744      2.21837392      0.03522313
+H      4.20470082     -1.48985240      1.40663969
+H      2.79636475     -2.52370289      1.00990120
+H      2.63984941     -1.15762821      2.14839302
+H      1.74452610     -1.98702759     -1.11297753
+H      1.87165945     -0.26520890     -1.81446714
+H      2.81123465      1.30318363      1.13725896
+H      2.90638129      1.45963692     -0.63987565
+H      4.91158526      1.03648744     -1.79638312
+H      6.41897408      0.48097199     -0.88514637
+H      6.14576509      2.54596299      0.67119122
+H      4.65369812      3.01591804     -0.31258326 
+
+18
+-1785.3839938085696 12.403771 13.36844 -8.9692 -6.9678 -9.506 1.3449 -0.0064 1.422 8.9373 -0.83526 6.7117713338 6.7117713338 0.435808855
+C      1.40495039      0.32815879      0.14652118
+C      2.84518914     -0.00826223     -0.25744122
+C      2.89341065     -0.70078468     -1.59350090
+C      3.29780855     -1.96050833     -1.78468207
+N      3.62054930      1.24575692     -0.34299575
+C      4.20303874      1.70575769      0.92318575
+C      5.06525126      1.10551797     -0.13710624
+H      1.38940864      0.85971370      1.10898507
+H      0.80824162     -0.58851368      0.24288772
+H      0.93791161      0.97580648     -0.60906387
+H      3.28353809     -0.68961490      0.50675906
+H      2.56073122     -0.09422275     -2.44349720
+H      3.63917896     -2.58239488     -0.95256955
+H      3.29628312     -2.41721871     -2.77560867
+H      4.02531322      1.09846820      1.81787896
+H      4.19332910      2.78599168      1.08529858
+H      5.69523944      1.74085870     -0.76356005
+H      5.45677696      0.09964003      0.04929919 
+
+20
+-1929.5647031648973 12.478285 13.83793 -8.895 -6.8489 -10.472 0.9432 0.0624 3.215 9.76158 -2.89366 8.6730438748 12.2400343046 0.210589896
+C      0.86524702     -0.52432826      0.17763497
+C      2.36316432     -0.42200954     -0.13088462
+C      2.76505564     -1.35634402     -1.27703490
+C      2.74190422      1.03507927     -0.43143416
+N      4.18624138      1.20452873     -0.61194096
+C      4.68725179      2.56611643     -0.41072573
+C      4.93773634      1.50735771      0.61175491
+H      0.58010750      0.11423955      1.02747189
+H      0.58366502     -1.55858017      0.42366852
+H      0.26296681     -0.21551092     -0.69227767
+H      2.92231553     -0.72475915      0.77403940
+H      2.19742539     -1.11461217     -2.19069292
+H      2.55771999     -2.40608292     -1.02190363
+H      3.83347230     -1.25531300     -1.50900690
+H      2.35604840      1.69070950      0.38119746
+H      2.25007268      1.35532827     -1.36754269
+H      3.96040082      3.34293560     -0.14787760
+H      5.48431968      2.88412337     -1.08666246
+H      5.92119098      1.03968731      0.69559519
+H      4.37481417      1.58378441      1.54907190 
+
+20
+-1929.2629720605398 12.261112 13.37684 -8.6276 -6.6725 -10.203 0.9358 0.0267 3.064 9.42372 -2.69472 8.25560781 12.5844922098 0.174496757
+C      1.26756642      0.35499202      0.09623030
+C      2.74454618     -0.04982842     -0.02558578
+C      3.14077784     -0.91422421      1.18631908
+C      2.97084295     -0.84427108     -1.32066604
+N      3.50175760      1.22362865     -0.19230294
+C      3.96697192      1.97662397      0.97121907
+C      4.93768475      1.27502757      0.07366691
+H      0.96726831      0.95837458     -0.77147185
+H      1.10226570      0.95491998      1.00369232
+H      0.62087263     -0.53265812      0.15109315
+H      2.95234975     -0.40163440      2.14067332
+H      4.19692669     -1.21912256      1.15481301
+H      2.53966100     -1.83469885      1.19020719
+H      2.69103906     -0.23564727     -2.19170062
+H      2.37026604     -1.76515814     -1.32533158
+H      4.02927790     -1.12607219     -1.42596817
+H      3.84066707      1.55282172      1.97204767
+H      3.83582349      3.06001477      0.91218546
+H      5.52929000      1.83532539     -0.65473387
+H      5.43926468      0.39733661      0.49340335 
+
+16
+-1627.080197746648 11.92846 13.07824 -9.1305 -7.1084 -9.719 0.9852 0.0165 2.45 9.30545 -1.98921 4.3877777498 10.8447206578 0.312616843
+C      1.29839127      0.28544551      0.07887080
+C      2.79509273      0.02230936     -0.14017864
+C      3.03191551     -0.76883179     -1.35065478
+C      3.21542370     -1.44125765     -2.34388232
+N      3.51175012      1.31249622     -0.23358869
+C      3.97186848      1.84683482      1.05602713
+C      4.94140542      1.25467437      0.08852805
+H      1.15150536      0.85438161      1.00727424
+H      0.74853870     -0.66130299      0.15339104
+H      0.89529265      0.86734385     -0.75979903
+H      3.17876729     -0.57138957      0.72145130
+H      3.37953111     -2.02832044     -3.22432090
+H      3.75489739      1.26499387      1.95882077
+H      3.89111917      2.92972498      1.17051850
+H      5.58332662      1.89674639     -0.51766785
+H      5.36760446      0.27920147      0.34473039 
+
+16
+-1632.014445550215 12.318716 14.05478 -9.0279 -6.9264 -9.159 0.8954 0.0324 2.605 8.84374 -2.08993 4.1823081506 10.1685630068 0.710997365
+C      0.98383014     -0.00871931      0.05450700
+C      2.43761345      0.00131630     -0.00190917
+C      3.65173463      0.01798364     -0.05444519
+C      5.11058487      0.01278504     -0.10399879
+N      5.67561692      1.37431236     -0.10996525
+C      5.86816999      1.96310270      1.22033012
+C      7.03610417      1.46281453      0.43661635
+H      0.58522594      1.01657557      0.07273053
+H      0.62142252     -0.52491454      0.95602353
+H      0.55422995     -0.51796468     -0.82103656
+H      5.44924916     -0.48730562     -1.02737991
+H      5.50017479     -0.58908676      0.74708054
+H      5.56056606      1.37029665      2.08811621
+H      5.66719685      3.03371181      1.29376484
+H      7.70281397      2.16008974     -0.07474316
+H      7.50922659      0.53900257      0.78730891 
+
+20
+-1930.5600976621818 12.411971 13.75995 -8.8491 -6.848 -10.494 0.9475 0.0671 3.259 9.76408 -3.33236 8.699911641 12.2261230754 0.171475266
+C      1.08399727      0.09170347     -0.12844643
+C      2.57033341      0.23097985      0.20639750
+C      3.03134556      1.67537603      0.45064512
+C      2.39499304      2.30553633      1.68966677
+N      4.49544294      1.68093808      0.61886723
+C      5.27579496      1.71827268     -0.62177771
+C      5.16963426      2.92822891      0.24691670
+H      0.83404715     -0.95220579     -0.36507378
+H      0.81082434      0.70366334     -1.00237648
+H      0.44093242      0.39965659      0.70859410
+H      3.17037676     -0.18252330     -0.62111995
+H      2.82105549     -0.36721355      1.09818801
+H      2.74872075      2.28320390     -0.44143030
+H      2.64077446      1.71467094      2.58459175
+H      1.30234055      2.36041059      1.59340779
+H      2.77022527      3.32748801      1.84320134
+H      4.72646503      1.74551963     -1.56983263
+H      6.18812897      1.11780432     -0.63037194
+H      6.00295700      3.23023090      0.88507330
+H      4.55040036      3.74968906     -0.13110041 
+
+22
+-2080.4549739043805 13.362511 15.35303 -8.534 -6.4401 -10.03 0.9705 0.0466 3.183 9.28393 -2.94262 8.1308902926 11.398776896 0.292526107
+C     -0.36380069      0.74223747     -0.44634798
+C      1.08520951      0.27392943     -0.59512424
+C      2.10084195      1.41448481     -0.48090176
+C      3.54784912      0.94906657     -0.63252372
+N      4.48803268      2.06746542     -0.55114569
+C      5.88711599      1.65147924     -0.66576263
+C      6.83177068      2.83851343     -0.51463289
+H     -1.06933257     -0.09694122     -0.53045640
+H     -0.62586484      1.47786596     -1.22232421
+H     -0.52956198      1.22042812      0.53150608
+H      1.21094763     -0.22715927     -1.57072238
+H      1.30567987     -0.49061473      0.16994674
+H      1.97789729      1.91179740      0.49929130
+H      1.89410702      2.18263509     -1.24488690
+H      3.67763019      0.47673079     -1.62293420
+H      3.76230508      0.15371814      0.11884804
+H      4.35850430      2.54463055      0.34720506
+H      6.01726979      1.19912122     -1.66423478
+H      6.15884162      0.86054367      0.07011668
+H      6.60461755      3.61271352     -1.26086838
+H      7.87731624      2.52449800     -0.64204013
+H      6.74265358      3.29342641      0.48460241 
+
+12
+-1377.9347738521815 11.505606 12.13849 -9.6666 -7.5788 -9.17 0.0662 -1.5779 0.085 8.68463 0.47445 4.066368842 6.0161602794 0.351873422
+C      0.97059681      0.27737316      0.18409528
+C      2.30027667      0.14368154      0.01534178
+C      2.95448540     -1.23601977     -0.04374251
+C      3.57503480     -1.52401041     -1.33652372
+N      4.06355482     -1.76783489     -2.36676396
+C      3.17488681      1.26035740     -0.09586430
+C      3.97024821      2.17531551     -0.19205862
+H      0.50942807      1.26210169      0.24492973
+H      0.32322039     -0.59649033      0.26269139
+H      2.20371840     -2.01206213      0.16460759
+H      3.73332835     -1.31084474      0.73223148
+H      4.65915128      2.99003297     -0.28623414 
+
+18
+-1801.598607526143 13.729324 13.81328 -8.3799 -6.3748 -8.211 0.6904 -0.7792 0.376 7.68179 0.19886 4.990312514 4.990312514 0.726478168
+C      1.00705713     -0.40875733     -0.34336205
+C      2.44918822     -0.02808186     -0.41885820
+C      3.03767700      1.09610223      0.05939225
+C      2.27133608      2.17335095      0.79773942
+N      1.81584568      3.22933422     -0.13271314
+C      4.46859470      1.29597638     -0.17674530
+C      5.21465198      2.34929349      0.21017126
+H      0.86755791     -1.31332113      0.27236557
+H      0.62749988     -0.65899323     -1.34690870
+H      0.37388274      0.38984465      0.06056045
+H      3.09851284     -0.74452883     -0.93638532
+H      2.90877490      2.54825773      1.62253590
+H      1.38060023      1.73818731      1.27381444
+H      2.62247210      3.59617341     -0.64535122
+H      1.43660587      4.01445230      0.40328985
+H      4.95996957      0.49532159     -0.74146375
+H      4.79814598      3.18534774      0.77545980
+H      6.27676719      2.40132039     -0.02819127 
+
+16
+-1643.6040525857943 13.114588 13.68396 -8.6695 -6.5997 -8.398 0.7901 -0.6986 0.666 7.92666 -0.06669 4.0742667502 5.7991103878 0.392744156
+C      0.99344970     -0.35962528     -0.19057814
+C      2.46419789     -0.09507410     -0.13214648
+C      3.09144729      1.10160405     -0.01254177
+C      2.37342981      2.43821938      0.08088554
+N      2.46161446      2.97438607      1.44817916
+C      4.51586551      1.15348713      0.04079926
+C      5.73041843      1.23394318      0.06412433
+H      0.70365708     -1.07835400      0.59306114
+H      0.72106401     -0.82897389     -1.15043917
+H      0.38024060      0.54160932     -0.06932588
+H      3.10418460     -0.98086895     -0.19159977
+H      1.34300619      2.32594334     -0.30476013
+H      2.88709694      3.14833798     -0.58628332
+H      1.92072328      2.38655142      2.08731786
+H      2.05168772      3.91016489      1.48373945
+H      6.79831649      1.30081948      0.09472791 
+
+18
+-1798.3235168681492 12.954259 13.77799 -9.1407 -6.9956 -9.038 1.0616 -0.1346 1.29 8.51588 -0.71455 6.2153685856 6.2153685856 0.392818535
+C      0.96941292      0.76904146     -1.56442988
+C      2.45369807      0.71881374     -1.35864207
+C      3.10333596      1.24252600     -0.31124227
+C      4.59613483      1.19143606     -0.06221258
+N      5.41499573      0.39669912     -0.99152526
+C      5.23324727      2.56294134      0.04833324
+C      4.65052159      3.72956533     -0.24859567
+H      0.71640467      1.28557005     -2.50454665
+H      0.46271576      1.29131699     -0.74077515
+H      0.54231463     -0.24391959     -1.64229548
+H      3.03208449      0.20810010     -2.13847129
+H      2.52165841      1.74918589      0.46949635
+H      4.73102850      0.71826395      0.93283886
+H      5.35358592      0.80085035     -1.93039196
+H      5.04716207     -0.55623109     -1.05206433
+H      6.27740608      2.53968527      0.37599313
+H      3.61713750      3.78376298     -0.59776357
+H      5.19528561      4.67008206     -0.15389543 
+
+16
+-1639.834806071021 12.589602 13.70954 -9.3287 -7.2247 -9.05 0.8808 -0.1449 1.15 8.59258 -0.54301 4.3576863476 10.7938863978 0.498838167
+C      0.73876983      0.08262691      0.08604149
+C      2.22489698      0.07192097      0.27925896
+C      3.07208043      0.96509154     -0.24348136
+C      4.58682771      0.97377171     -0.05124450
+N      5.17449949     -0.05822515      0.81514025
+C      5.23912421      0.94771709     -1.36816980
+C      5.73950894      0.92893669     -2.47346854
+H      0.39648981     -0.84982124     -0.39079557
+H      0.41631081      0.92532437     -0.54062097
+H      0.21262010      0.15063374      1.05172275
+H      2.62647728     -0.74107259      0.89614664
+H      2.68721281      1.77898846     -0.86848931
+H      4.84542438      1.94846260      0.40863435
+H      5.00352934     -0.98237889      0.40914283
+H      4.70534498     -0.03791567      1.72422417
+H      6.19622289      0.90914946     -3.44180138 
+
+20
+-1931.993762749474 13.431315 14.56426 -8.2163 -6.2491 -9.047 0.9701 0.0839 1.464 8.5205 -0.82583 6.3216989792 6.3216989792 0.393138694
+C      0.78913617      0.17076468     -1.11722856
+C      2.22470248      0.59499228     -1.17249855
+C      2.83136330      1.38778093     -0.27892238
+C      4.28123613      1.77546412     -0.32049106
+N      4.47970897      3.23006074     -0.27005841
+C      5.87981428      3.55888533     -0.03174598
+C      3.99408932      3.88116447     -1.48281422
+H      0.24869865      0.47588064     -2.02793734
+H      0.27298508      0.60469883     -0.24944768
+H      0.70008784     -0.92598601     -1.05563265
+H      2.81451412      0.21329021     -2.01578266
+H      2.25863281      1.79090844      0.56523794
+H      4.76856347      1.31976581     -1.21496596
+H      4.78877879      1.35502357      0.56592100
+H      6.21545561      3.10299093      0.91121654
+H      5.99314338      4.64928601      0.05655618
+H      6.55560738      3.20986415     -0.84603419
+H      2.93542832      3.63524293     -1.64053652
+H      4.55924905      3.57212138     -2.39245256
+H      4.08521485      4.97178057     -1.37692294 
+
+18
+-1797.6527190885517 12.889879 13.46997 -9.1449 -7.0359 -9.098 1.1903 -0.3576 0.916 8.48567 -0.54874 6.136315112 6.136315112 0.673705886
+C      2.82502215     -1.62595801      1.28743450
+C      2.46469609     -0.17056686      1.15477195
+C      1.37573296      0.35275952      1.73738560
+C      3.42806322      0.67149792      0.30437996
+N      2.95467286      1.99187897     -0.13360806
+C      4.73126224      0.84820352      1.05197075
+C      5.89192927      0.26692754      0.73582264
+H      3.81713172     -1.74722231      1.74963599
+H      2.88077209     -2.10526675      0.29582861
+H      2.08849422     -2.17079556      1.89204983
+H      0.70566115     -0.26365333      2.33952437
+H      1.11223614      1.40672224      1.63060445
+H      3.64441681      0.08577796     -0.60891590
+H      2.85692686      2.61190606      0.67579795
+H      2.01902114      1.89966546     -0.53905834
+H      4.67130602      1.49849941      1.93403529
+H      5.98340688     -0.38685724     -0.13529074
+H      6.79093819      0.42906143      1.33229113 
+
+16
+-1640.323671996766 12.441313 13.17297 -9.1711 -7.1399 -9.261 1.2437 -0.2378 1.154 8.66408 -0.5352 4.3592113754 10.784612245 0.526700247
+C      0.95237903     -0.00535810      0.28519412
+C      2.42571582     -0.09309153     -0.00136929
+C      3.02292445     -1.21938561     -0.41882746
+C      3.25419368      1.18667264      0.16641815
+N      2.93787544      2.25689410     -0.80810631
+C      3.14484596      1.71278191      1.53036861
+C      3.03122174      2.12294925      2.66687580
+H      0.46286197      0.75672124     -0.34199955
+H      0.77910884      0.28486256      1.33309140
+H      0.45445495     -0.96534304      0.10013270
+H      2.45687346     -2.13847589     -0.58289491
+H      4.09855394     -1.25893503     -0.60484292
+H      4.31189962      0.91408468      0.00188128
+H      2.00611499      2.63390410     -0.61528823
+H      2.90356605      1.84070919     -1.74301698
+H      2.94506007      2.49527952      3.66723357 
+
+12
+-1384.856664752735 12.607963 12.5426 -9.4669 -7.5434 -9.069 -0.7094 -2.3264 -0.669 8.55157 1.17808 3.927380536 10.8960260646 0.365466702
+C      0.96419038      0.06643833     -0.04697597
+C      2.46547250     -0.02861387     -0.00640278
+C      3.14234960     -1.20713497      0.10734851
+C      2.49772740     -2.46555862      0.19959250
+N      1.99218794     -3.51970642      0.27761824
+C      3.19130631      1.18852303     -0.09436145
+C      3.76199119      2.26066764     -0.17182004
+H      0.60333740      0.69360876      0.78130800
+H      0.49881092     -0.92341171      0.02186335
+H      0.64300969      0.55191712     -0.97998134
+H      4.23301448     -1.21541964      0.13075400
+H      4.28136219      3.19497034     -0.24120302 
+
+16
+-1644.8255912722814 13.325167 13.89881 -8.6816 -6.6568 -8.407 0.711 -0.7973 0.662 7.93487 -0.06693 4.0774407918 11.2127607002 0.548604078
+C      0.86721761      0.39776302      0.28644238
+C      2.32911150      0.08852983      0.04800413
+C      2.85349652     -1.14556872     -0.15337326
+C      2.12663283     -2.45500068     -0.19093144
+N      2.57457614     -3.24100609     -1.35538640
+C      3.19557155      1.22338445      0.05839976
+C      3.88228562      2.22904215      0.07182407
+H      0.53373567      1.20149591     -0.38555554
+H      0.71604104      0.75774809      1.31545365
+H      0.22665052     -0.47858682      0.13387151
+H      3.93199604     -1.22359262     -0.31789259
+H      1.03237396     -2.30477016     -0.13543317
+H      2.40646635     -3.03069049      0.71054520
+H      2.25703923     -2.78873176     -2.21661543
+H      2.14362074     -4.16789606     -1.33561914
+H      4.50594469      3.09916995      0.08190626 
+
+20
+-1927.9277146236836 13.144494 13.99511 -8.273 -6.3145 -9.376 1.2647 -0.0282 1.402 8.81548 -0.81501 6.5946169624 6.5946169624 0.419184136
+C      1.36806742     -0.12711543      0.15507963
+C      2.69926768      0.15305363     -0.56279696
+C      2.67960388     -0.55168484     -1.89778739
+C      3.42283890     -1.61616793     -2.21679849
+N      2.92148667      1.60238732     -0.75943482
+C      2.84850887      2.36185652      0.48702954
+C      4.20951145      1.85522123     -1.40633745
+H      1.37834599      0.22176309      1.19590978
+H      1.18013567     -1.20849837      0.16655603
+H      0.53752283      0.36517434     -0.37299435
+H      3.52452176     -0.28371713      0.05113381
+H      1.95715006     -0.15005204     -2.61864672
+H      4.15489070     -2.03063577     -1.51839012
+H      3.32434404     -2.11129832     -3.18416645
+H      1.84458688      2.30731175      0.92511026
+H      3.05862386      3.41861698      0.27010183
+H      3.58587211      2.01857363      1.24904229
+H      4.26757222      1.31824048     -2.36118485
+H      5.07449256      1.53709224     -0.78052276
+H      4.30976643      2.93128863     -1.60616282 
+
+20
+-1939.6116946620411 12.900858 13.80997 -9.1586 -6.9681 -9.441 0.8866 -0.1274 1.378 8.86929 -0.77884 6.6348132236 6.6348132236 0.441703724
+C      0.96523119     -0.07120882      0.06336506
+C      2.50829400     -0.08540249      0.02943920
+C      3.05050974     -0.66100621      1.34519637
+C      2.99395586     -0.96007693     -1.16552343
+N      2.54297184     -2.35649995     -1.06461974
+C      2.99691146      1.32273932     -0.23514093
+C      3.83756349      2.05213095      0.50792469
+H      0.55556351      0.40293610     -0.84210689
+H      0.60058711      0.49182692      0.93458063
+H      0.58405086     -1.10044399      0.11063152
+H      2.75651121     -0.03563032      2.20084697
+H      4.14951639     -0.73101031      1.33579320
+H      2.64000481     -1.66638322      1.51728352
+H      4.09449623     -0.85165734     -1.23769498
+H      2.57118137     -0.53838547     -2.09218966
+H      3.16049143     -2.88363984     -0.44354776
+H      2.60858514     -2.80752542     -1.97857975
+H      2.59669097      1.76976694     -1.15480683
+H      4.27331550      1.67684679      1.43587258
+H      4.11533788      3.06414331      0.20937624 
+
+18
+-1785.0663448097832 12.392153 13.47359 -9.2109 -6.9775 -9.664 0.8816 -0.0221 2.407 9.2423 -1.94659 4.3172669116 10.6048821394 0.376177604
+C      0.95543862      0.01383511     -0.02725574
+C      2.49889966     -0.02468597      0.01062083
+C      2.98257309     -0.76067977      1.27942265
+C      3.01163280     -0.75082133     -1.26625836
+N      4.47502046     -0.79511682     -1.31795672
+C      3.01815375      1.35028129      0.00749704
+C      3.45468448      2.48425956     -0.01491089
+H      0.59378909      0.54081023     -0.92117346
+H      0.55990327      0.52912729      0.85829725
+H      0.55619522     -1.01154999     -0.03836907
+H      2.67427443     -0.21828270      2.18328910
+H      4.07481472     -0.85752552      1.27044271
+H      2.54359979     -1.76943057      1.30991928
+H      2.53884453     -0.26090001     -2.14139745
+H      2.63701112     -1.78721094     -1.22806695
+H      4.83635350      0.15430052     -1.45020165
+H      4.77824614     -1.34036099     -2.12669353
+H      3.83513533      3.48525062     -0.01732504 
+
+20
+-1939.9908435107402 12.855826 13.75368 -9.0425 -6.9046 -9.408 0.9079 -0.1504 1.404 8.89518 -0.81781 6.6141323588 6.6141323588 0.443107044
+C      0.87342138     -0.49463541      0.50226196
+C      2.29833883     -0.30755990     -0.03460659
+C      2.75954372     -1.53878400     -0.82192253
+C      2.46239557      1.02590629     -0.83745905
+N      3.85118541      1.41429000     -1.10849350
+C      1.64440474      1.03563410     -2.10619126
+C      2.06232497      1.46185064     -3.30355709
+H      0.52560322      0.39849409      1.04399717
+H      0.83005257     -1.34551502      1.19815134
+H      0.15454737     -0.70094095     -0.30527529
+H      2.96454739     -0.19562549      0.84171010
+H      2.12410740     -1.70743491     -1.70493627
+H      2.71216451     -2.44142766     -0.19518101
+H      3.79836985     -1.43849434     -1.17101298
+H      2.04222224      1.81758789     -0.18469450
+H      4.30085145      0.70470751     -1.69474112
+H      4.37593961      1.44186588     -0.23120432
+H      0.61905676      0.66591487     -2.00555795
+H      3.06631082      1.86685636     -3.44072588
+H      1.40051221      1.43846005     -4.17058123 
+
+18
+-1783.1340338052541 12.442311 13.58141 -9.2484 -7.104 -9.733 0.8654 -0.1342 2.297 9.3321 -1.90638 4.3568308442 10.7392457676 0.335463059
+C      0.93678111     -0.10284878      0.02365020
+C      2.46760449     -0.06485326     -0.03242404
+C      2.97697123     -0.80923320     -1.27170844
+C      2.99658112      1.40713429      0.00047822
+N      2.54608383      2.24607225      1.12664762
+C      4.46282947      1.43489046     -0.03706676
+C      5.67658333      1.43071665     -0.03465282
+H      0.53633209      0.34573729      0.94407553
+H      0.57851855     -1.14175864     -0.01183146
+H      0.49704015      0.42718662     -0.83742616
+H      2.86813648     -0.56518765      0.86836720
+H      2.60376000     -0.33355021     -2.19350922
+H      2.62564385     -1.85127463     -1.27134201
+H      4.07405382     -0.81664878     -1.31498092
+H      2.63100229      1.89966714     -0.92230060
+H      2.87596347      1.84016266      2.00710285
+H      1.52472006      2.25235610      1.16244290
+H      6.74728464      1.44569168     -0.04412209 
+
+22
+-2073.785731195911 13.239369 14.48853 -8.1986 -6.2231 -9.655 0.9042 -0.0008 3.147 8.86013 -2.83556 7.6823461404 11.1000078318 0.174086043
+C      1.92225376     -1.35067288      0.26853334
+C      3.17207450     -0.75505891     -0.39086812
+C      2.89229587     -0.32786981     -1.83499393
+C      3.69251078      0.41698732      0.45812794
+N      4.89561014      1.07194719     -0.06477043
+C      5.14278980      2.32838023      0.63505055
+C      6.07120035      0.21035076      0.01208028
+H      2.12212092     -1.67249308      1.30185265
+H      1.55927386     -2.22426673     -0.29249815
+H      1.10460337     -0.61195183      0.29807426
+H      3.94455413     -1.54484893     -0.40513611
+H      2.08206849      0.41903866     -1.86689301
+H      2.58077199     -1.18652753     -2.44786074
+H      3.78068543      0.12889888     -2.29109149
+H      3.85503307      0.06185267      1.50494306
+H      2.89914325      1.18386588      0.50550855
+H      4.27310208      2.99247529      0.52663046
+H      6.01577911      2.83226162      0.19483893
+H      5.33917941      2.19008154      1.72339456
+H      5.92678852     -0.69596818     -0.59125651
+H      6.30962151     -0.10135349      1.05555730
+H      6.94289965      0.74490135     -0.39190339 
+
+18
+-1770.2715604167938 12.630717 13.67264 -8.4226 -6.4751 -9.59 0.9422 -0.0077 2.396 9.20434 -1.93595 4.3199450092 10.6858821932 0.270163393
+C      0.96099876     -0.09006202     -0.00717091
+C      2.49743114      0.01681095     -0.00959335
+C      3.02501337     -0.70827096     -1.17205759
+C      3.41882877     -1.35530921     -2.12029031
+N      2.96410958      1.42242785     -0.00919202
+C      2.46094971      2.15666481      1.15000673
+C      4.42554542      1.49474453     -0.04182018
+H      0.53515754      0.26252106      0.94023704
+H      0.66777694     -1.13858453     -0.14062345
+H      0.54431284      0.49987461     -0.83486656
+H      2.87896896     -0.50808133      0.90195134
+H      3.77557226     -1.91589379     -2.96008588
+H      1.36781085      2.24149064      1.11977027
+H      2.87259227      3.17488373      1.12603854
+H      2.75421439      1.69268737      2.11987777
+H      4.80539571      0.97214957     -0.92833237
+H      4.89946368      1.04586767      0.86032060
+H      4.73136782      2.54843906     -0.10117968 
+
+16
+-1678.650759689894 11.86335 13.00327 -10.0517 -7.9427 -9.831 1.3222 -0.3796 0.961 9.26542 -0.39919 5.3683086322 6.6451288588 0.493284429
+C      1.05060411      0.03325226      0.24140035
+C      2.40757518      0.13147477     -0.47096448
+C      2.46536574     -0.81091451     -1.70716531
+C      2.28040661     -2.21707718     -1.36327458
+N      2.13722617     -3.33659847     -1.06727663
+C      2.69318931      1.54173878     -0.91443179
+C      3.74225969      2.27306947     -0.52484584
+H      1.03810129      0.67577776      1.13162916
+H      0.84359624     -0.99924532      0.55615076
+H      0.23375973      0.35832061     -0.42175354
+H      3.20200913     -0.18536232      0.22506705
+H      3.43541653     -0.70251572     -2.21591054
+H      1.68639055     -0.52536777     -2.43361167
+H      1.95997425      1.98044560     -1.60359528
+H      4.49211123      1.87559150      0.16410887
+H      3.88539427      3.29571054     -0.87633655 
+
+14
+-1520.7663164194532 11.240812 12.50925 -10.4124 -8.0924 -10.064 0.698 -0.3475 1.367 9.62057 -1.0111 4.362013459 10.83141696 0.412526292
+C      0.95197165     -0.00549719      0.07163994
+C      2.49060958     -0.00660911      0.01881601
+C      2.98113104     -0.79422639     -1.23045432
+C      4.42585536     -0.99230468     -1.26643972
+N      5.57875443     -1.16614201     -1.28643580
+C      3.02653850      1.35275219      0.02810330
+C      3.45241451      2.48861083      0.01664614
+H      0.60211434      0.53412473      0.96028647
+H      0.56697704     -1.03407800      0.11480962
+H      0.53238269      0.49115821     -0.81438082
+H      2.87369295     -0.53154980      0.91104225
+H      2.67322512     -0.26347325     -2.14467802
+H      2.49757904     -1.78351520     -1.24469033
+H      3.84276376      3.48591967      0.01215528 
+
+20
+-1940.0565282324037 13.061576 14.22632 -9.234 -6.9185 -9.433 0.9459 -0.0011 1.378 8.86867 -0.79332 6.619922505 6.619922505 0.440869381
+C      1.40415862      0.35084266      0.80587098
+C      2.69488588      0.55296462     -0.00799913
+C      2.45239005      0.21257031     -1.49299269
+C      3.71353511      0.22314376     -2.35581275
+N      3.37951519     -0.09126176     -3.75386632
+C      3.20108540      1.96196823      0.15794264
+C      4.36402687      2.31337791      0.71821935
+H      1.57156864      0.55629039      1.87228756
+H      1.03740675     -0.68161164      0.70542063
+H      0.60843962      1.02535284      0.45261213
+H      3.46520399     -0.13503530      0.38628668
+H      1.72141047      0.91821523     -1.92397617
+H      1.98702946     -0.78804197     -1.54833676
+H      4.46172515     -0.46300998     -1.90476419
+H      4.16138550      1.22924126     -2.33454895
+H      3.05392923     -1.05960713     -3.82203776
+H      4.21888750     -0.03370382     -4.33444639
+H      2.52978084      2.74733344     -0.21464439
+H      5.06066981      1.56260913      1.10112727
+H      4.66057593      3.35907182      0.81479827 
+
+18
+-1783.3175862383503 12.446487 13.70728 -9.2385 -6.9259 -9.754 0.9177 -0.0142 2.363 9.33587 -1.90797 4.337712203 10.5081606608 0.516123705
+C      1.36877128     -0.18060568      1.02759007
+C      2.50650431      0.00006887      0.00181123
+C      2.12010445     -0.47538379     -1.42091251
+C      0.96921340      0.28899551     -2.07545254
+N      0.72192776     -0.25083828     -3.42327267
+C      3.00735557      1.37639295      0.00237480
+C      3.42584131      2.51702891      0.00728367
+H      1.72223410      0.05032960      2.04111715
+H      1.00990648     -1.21990493      1.01245745
+H      0.52214709      0.48371070      0.80893483
+H      3.34562783     -0.64196203      0.32579411
+H      1.85688447     -1.54421372     -1.37516332
+H      3.01222547     -0.39439833     -2.06460299
+H      1.19832379      1.37268042     -2.05542112
+H      0.04611570      0.14497095     -1.49168581
+H      1.51870548     -0.03552995     -4.02955393
+H     -0.08433022      0.21814428     -3.84187300
+H      3.79746173      3.52114450      0.01512457 
+
+16
+-1643.8421448880204 12.990825 14.37912 -9.0812 -6.9639 -8.993 1.181 -0.1898 1.19 8.59166 -0.62338 4.1153185148 6.5205601246 0.409925353
+C      0.94056525      0.00324999      0.01587930
+C      2.39589659      0.00771414      0.01127777
+C      3.61375664      0.01292088      0.02118330
+C      5.08574741      0.00629408     -0.02389771
+N      5.64897493     -0.80019858     -1.13676022
+C      5.60935709      1.42457763     -0.11106356
+C      6.34567888      2.01666033      0.83204886
+H      0.54093220      1.02847428      0.02937047
+H      0.54799638     -0.52006633      0.90060145
+H      0.53884869     -0.50036236     -0.87636974
+H      5.46530771     -0.43672375      0.91334886
+H      5.27770518     -0.43150541     -2.01902554
+H      5.27240843     -1.75053241     -1.06423983
+H      5.33067889      1.97096255     -1.01906105
+H      6.62654998      1.49240189      1.74881793
+H      6.69235575      3.04490308      0.72153973 
+
+14
+-1484.6939549004344 12.341901 13.9893 -9.2949 -7.184 -9.146 0.8426 -0.2298 1.881 8.78171 -1.57906 4.1373384284 11.0467434462 0.374465474
+C      0.91921984     -0.02411661      0.01943738
+C      2.37365455      0.00392508      0.00889767
+C      3.58935995      0.04381206      0.00243668
+C      5.06307063      0.02648887     -0.04538955
+N      5.63604619     -0.71663960     -1.19541594
+C      5.60429983      1.39304005     -0.01483045
+C      6.04597044      2.52162481      0.01364166
+H      0.50595550      0.99537542      0.03214530
+H      0.53769801     -0.55283376      0.90545817
+H      0.52473628     -0.53450829     -0.87192336
+H      5.42636069     -0.48629137      0.86535605
+H      5.32160360     -0.25969322     -2.05719938
+H      5.21516655     -1.65056261     -1.20294551
+H      6.43816795      3.51770918      0.03759130 
+
+18
+-1777.7471498499924 13.075571 14.74804 -8.3577 -6.3617 -9.152 0.8551 -0.0283 2.557 8.74905 -2.0409 4.1607469852 10.131144032 0.850090733
+C      0.96333792     -0.01428077      0.04556183
+C      2.41818209      0.00974325      0.00956051
+C      3.63287025      0.03965916     -0.02810468
+C      5.09322997      0.03636570     -0.06778384
+N      5.68833386      1.38022175     -0.00253187
+C      5.37342429      2.04385069      1.25912023
+C      7.13022272      1.29538735     -0.20191591
+H      0.55398130      1.00687431      0.06483720
+H      0.59215724     -0.54082810      0.93754970
+H      0.55144716     -0.52065942     -0.84019917
+H      5.42556965     -0.42839776     -1.01158620
+H      5.47481779     -0.61686653      0.75480109
+H      4.28387248      2.10405964      1.38075458
+H      5.78003578      3.06495115      1.24562950
+H      5.79598803      1.51200876      2.14231083
+H      7.34735726      0.83899158     -1.17881487
+H      7.64590605      0.69690407      0.58413278
+H      7.56049616      2.30674516     -0.19463170 
+
+22
+-2085.750633076222 12.851183 14.10174 -8.9934 -6.8842 -10.458 0.864 -0.0688 2.869 9.77516 -2.52454 8.320328502 10.403975225 0.117024751
+C      2.99110042     -0.92365189     -1.17583920
+C      2.54967097     -0.04202776     -0.00231208
+C      3.02680198      1.43681309     -0.00744767
+C      2.44304461      2.18657767     -1.21356970
+N      2.55649073      2.15401355      1.20279742
+C      4.56994946      1.55212293     -0.05262076
+C      5.32564265      0.90054528      1.10848167
+H      2.58328677     -1.93962183     -1.06909702
+H      4.08589439     -1.01554270     -1.23088174
+H      2.63865839     -0.53073925     -2.14067667
+H      2.88314351     -0.50765920      0.94094004
+H      1.44638677     -0.02938958      0.04500965
+H      2.80641996      1.77293752     -2.16432521
+H      2.72635908      3.24740273     -1.16643356
+H      1.34272538      2.12692897     -1.21813357
+H      2.82216758      1.62596848      2.03927248
+H      1.53202765      2.17010266      1.20341369
+H      4.80917820      2.62725112     -0.07919435
+H      4.92781455      1.12759553     -1.00475048
+H      5.03569848      1.33270565      2.07797488
+H      6.40760458      1.06254652      0.99981175
+H      5.16266388     -0.18650950      1.15655042 
+
+20
+-1941.7599940015818 12.849019 13.74397 -9.0816 -6.9786 -9.343 0.8454 -0.0876 1.434 8.79196 -0.83694 6.5979397872 6.5979397872 0.438379198
+C      3.00743385     -0.84049143      1.18412645
+C      2.59722077     -0.01278826     -0.03461619
+C      3.07309491      1.47194257     -0.02151600
+C      2.55527298      2.16294690     -1.29891006
+N      2.57072290      2.24477178      1.12971682
+C      4.58957424      1.50469345     -0.04310588
+C      5.37825180      2.23907124      0.74809623
+H      2.65288388     -1.87657036      1.08877783
+H      2.57830343     -0.43819606      2.11487367
+H      4.10047827     -0.86712789      1.30457891
+H      1.49714368     -0.01024385     -0.13035427
+H      2.98362294     -0.49458992     -0.95000661
+H      2.95236578      1.67633691     -2.20074986
+H      2.85867389      3.21790461     -1.30291349
+H      1.45538814      2.11049619     -1.34443843
+H      2.82053851      1.76991072      2.00155168
+H      1.54802690      2.26822532      1.09640951
+H      5.04471637      0.85841659     -0.80326518
+H      4.95699140      2.90785271      1.50089682
+H      6.46420536      2.20374878      0.64811805 
+
+18
+-1783.4143904712298 12.434818 13.60639 -9.2581 -7.1493 -9.66 0.8095 -0.1579 2.319 9.23603 -1.92014 4.3597569138 10.9401774792 0.30303399
+C      1.00816152     -0.24647907      0.01547318
+C      2.52353513     -0.04355136      0.00985168
+C      2.99862950      1.44706297      0.01073499
+C      2.50207031      2.19299383     -1.24563439
+N      2.55831977      2.22477156      1.19402279
+C      4.47115916      1.43459214      0.00960242
+C      5.68381230      1.38184772      0.00036707
+H      0.77158426     -1.31830820      0.07240104
+H      0.53165156      0.14472126     -0.89467962
+H      0.53049363      0.23290588      0.88386434
+H      2.96331370     -0.54279880     -0.86873214
+H      2.96683227     -0.52972370      0.89405552
+H      2.81047399      1.66775269     -2.15916089
+H      2.91563224      3.20849209     -1.25818921
+H      1.40496319      2.26648705     -1.23813815
+H      2.90203616      1.77200420      2.04565734
+H      1.53579823      2.20670608      1.24155617
+H      6.75424307      1.35162367     -0.00372212 
+
+22
+-2072.311296756641 12.96926 14.21964 -7.9472 -6.0024 -9.368 0.9128 0.0017 3.147 8.55364 -2.83068 7.2950138764 11.0857618404 0.12281497
+C      4.27134761     -0.99424634     -0.60518537
+C      3.22319945     -0.42529278      0.35096736
+C      3.42331095      1.06252571      0.69195698
+C      2.25044970      1.59231198      1.53871704
+N      4.76750774      1.31112001      1.25843155
+C      5.17631064      2.70603600      1.16924972
+C      4.97304279      0.79194741      2.60567992
+H      4.08153575     -2.05677776     -0.81508695
+H      5.28111612     -0.89582008     -0.18417062
+H      4.26186707     -0.45618765     -1.56605016
+H      3.19887582     -1.01783376      1.28208364
+H      2.21783052     -0.53023774     -0.08972100
+H      3.41994395      1.61249775     -0.26735775
+H      2.13590460      1.02172914      2.47275386
+H      1.30744936      1.50349206      0.97994698
+H      2.38112278      2.65213773      1.80107257
+H      5.06649722      3.06032767      0.13367020
+H      6.23843901      2.79269976      1.44560348
+H      4.60458235      3.39371747      1.83242248
+H      4.70101981     -0.27140063      2.65493979
+H      4.40168258      1.33235262      3.39214468
+H      6.04075418      0.87151143      2.86023157 
+
+20
+-1942.865961432284 13.132936 14.22901 -8.8329 -6.7231 -8.7 0.8759 -0.1116 1.514 8.1112 -0.81631 6.0580303516 6.0580303516 0.385778269
+C      1.44115913      0.08605113      1.32790576
+C      2.04028690      0.54139018     -0.01305085
+C      2.90837751      1.77767228      0.09378181
+C      2.18220501      3.07150829      0.39350228
+N      1.19525161      3.37381531     -0.66580253
+C      4.24351109      1.69430298     -0.07376483
+C      5.27527015      2.78178508     -0.00698404
+H      0.84435729     -0.82795312      1.19415985
+H      0.77575436      0.84944849      1.75721194
+H      2.23160688     -0.12746895      2.06326626
+H      1.21760767      0.75080194     -0.71568786
+H      2.63723003     -0.27842908     -0.44237687
+H      2.90815547      3.88498605      0.57147687
+H      1.61642953      2.95263908      1.33388729
+H      1.69190970      3.58917892     -1.53484172
+H      0.67193463      4.21625705     -0.41616381
+H      4.65007785      0.69681176     -0.28367021
+H      4.84676828      3.78356361      0.12366697
+H      5.88752239      2.79255961     -0.92310914
+H      5.97390450      2.60731938      0.82816283 
+
+20
+-1939.6350508331464 13.001287 14.10695 -9.2181 -6.977 -9.459 1.0194 -0.0684 1.367 8.89337 -0.7795 6.6331518112 6.6331518112 0.438632827
+C      2.94027044     -1.06910904     -0.18087507
+C      2.69181634     -0.03831801      0.92082445
+C      3.54318610      1.24189334      0.78312086
+C      3.04966083      2.34848103      1.74293791
+N      1.66999477      2.75313690      1.42866939
+C      5.00141655      0.96515501      1.02840805
+C      5.99284345      1.15055997      0.14923166
+H      2.32084343     -1.96503065     -0.03012691
+H      3.99294904     -1.38743599     -0.21104071
+H      2.69093418     -0.65660179     -1.17132739
+H      2.89681819     -0.48923133      1.90881311
+H      1.63408380      0.26581626      0.92959957
+H      3.43502698      1.62344975     -0.25101471
+H      3.77853244      3.18205081      1.71603410
+H      3.05701303      1.95208712      2.77295223
+H      1.66177461      3.30159226      0.56440256
+H      1.31526086      3.37280909      2.15995447
+H      5.24439434      0.57454307      2.02602306
+H      5.79710160      1.53140208     -0.85693839
+H      7.03092903      0.92647012      0.40074176 
+
+18
+-1784.2585482481513 12.509234 13.79568 -9.381 -7.1368 -9.753 0.8701 -0.0931 2.35 9.31069 -1.91767 4.3369186926 10.6478184912 0.366849795
+C      2.79533625     -0.87966632     -1.11693944
+C      2.48404843     -0.01736617      0.10485850
+C      3.03983714      1.42167035      0.00808425
+C      2.50087598      2.32943772      1.14413581
+N      1.04593973      2.49451477      1.02789582
+C      4.50130400      1.44338392     -0.00315606
+C      5.71595526      1.45639861      0.02094194
+H      2.38365075     -1.89204608     -0.99784910
+H      3.87953668     -0.97229560     -1.27699457
+H      2.35659415     -0.44800069     -2.03010586
+H      2.89837313     -0.48511480      1.01350780
+H      1.39735133      0.07133694      0.25135185
+H      2.69197011      1.85593670     -0.95034757
+H      3.06845139      3.27848038      1.13017133
+H      2.71716870      1.84086793      2.10731773
+H      0.82762229      3.17647589      0.29709004
+H      0.66627466      2.87441460      1.89656743
+H      6.78657001      1.46644186      0.03552011 
+
+22
+-2085.9795976695664 13.091055 14.82343 -8.9795 -6.8763 -10.441 0.8997 -0.0338 2.979 9.76641 -2.71068 8.448901984 11.0928042452 0.123707922
+C      1.22398823     -0.16566276     -0.52904602
+C      2.73648533     -0.03996157     -0.33205221
+C      3.23814808      1.40016367     -0.46846129
+C      4.75786760      1.58295058     -0.28104578
+N      5.59619788      0.86472984     -1.25955878
+C      5.13293165      3.07394204     -0.29695717
+C      6.58342473      3.35833201      0.09451157
+H      0.88626244     -1.20680176     -0.42382086
+H      0.92514437      0.18313921     -1.52978208
+H      0.67495373      0.44026825      0.20813671
+H      3.24925294     -0.68542759     -1.06612026
+H      3.01320339     -0.42741454      0.66466125
+H      2.71103561      2.03065042      0.27067542
+H      2.95598556      1.79501165     -1.46354363
+H      5.03052082      1.17672613      0.71240741
+H      5.31642820      1.13885756     -2.20785847
+H      5.43123787     -0.14210607     -1.19541021
+H      4.44870603      3.61355098      0.37868609
+H      4.93356302      3.47060393     -1.31013615
+H      6.77793901      3.05193930      1.13396224
+H      6.81374094      4.43040901      0.01449419
+H      7.27598256      2.80249971     -0.55125198 
+
+20
+-1939.5951310227013 13.02026 14.18863 -9.0869 -6.9463 -9.533 0.9065 -0.0017 1.38 8.97637 -0.79515 6.697909699 6.697909699 0.433306349
+C      0.93191166     -0.25147271      0.08011036
+C      2.45377850     -0.33921162      0.21198716
+C      3.15759779      0.98195120     -0.11287952
+C      4.70273659      0.93541499     -0.04352017
+N      5.36063105      2.16733957     -0.53134185
+C      5.17914788      0.66092536      1.35948199
+C      5.82349611     -0.43840876      1.76131422
+H      0.45056301     -1.21070091      0.31976587
+H      0.63378125      0.02445833     -0.94345317
+H      0.51663497      0.50820579      0.76056774
+H      2.83789092     -1.12684290     -0.46011182
+H      2.72270059     -0.65594450      1.23265240
+H      2.79529613      1.77547117      0.56777048
+H      2.87617013      1.30109868     -1.13307030
+H      5.05200901      0.11048294     -0.69066713
+H      5.09397538      2.95317167      0.07097625
+H      4.99684233      2.39592451     -1.46135318
+H      4.95046748      1.44549555      2.09409273
+H      6.07294458     -1.24073357      1.06211843
+H      6.12879464     -0.57327476      2.80018949 
+
+18
+-1783.1784068194215 12.513308 13.82035 -9.3026 -7.137 -9.736 0.8868 -0.1312 2.334 9.35007 -1.91294 4.3681631646 10.737621551 0.390669526
+C      1.14642693     -0.35546880     -0.03451601
+C      2.65660910     -0.26825019     -0.26435109
+C      3.25928448      1.04451618      0.24251959
+C      4.78366809      1.18992089      0.00375351
+N      5.34730032      2.51016429      0.35413386
+C      5.52880865      0.14534874      0.71314876
+C      6.11081839     -0.72186142      1.33156279
+H      0.73895823     -1.30526712     -0.40943793
+H      0.61431053      0.46098758     -0.54694765
+H      0.90307269     -0.28852195      1.03698394
+H      2.87312583     -0.37404106     -1.34181166
+H      3.15990010     -1.11172427      0.23487160
+H      3.06296725      1.15783582      1.32294309
+H      2.76735913      1.89471080     -0.26254840
+H      4.96842044      1.04772003     -1.07812722
+H      5.24860174      2.65800041      1.36293935
+H      4.78856975      3.23668770     -0.10237448
+H      6.64308835     -1.48410761      1.86298796 
+
+22
+-2073.1612126224927 13.352801 14.93929 -8.2413 -6.2165 -9.691 0.9327 0.045 3.202 8.89976 -2.94399 7.7336143514 11.422644201 0.210967762
+C      2.24336131     -0.42275689     -1.93172389
+C      3.28514089      0.38494918     -1.15527684
+C      2.68847921      1.59881841     -0.43558924
+C      3.74639646      2.41034405      0.31409857
+N      3.19913905      3.49024203      1.14202143
+C      4.22764850      4.03011100      2.02554164
+C      2.61485933      4.56043025      0.33896583
+H      2.69802707     -1.28628969     -2.43828620
+H      1.75359508      0.19503566     -2.70029085
+H      1.45618269     -0.80374400     -1.26305000
+H      4.07783069      0.72263994     -1.84530312
+H      3.78224240     -0.26804603     -0.41691262
+H      1.92129229      1.26961890      0.28573945
+H      2.17269525      2.23127208     -1.17753010
+H      4.49836069      2.80368664     -0.41330582
+H      4.29311620      1.73120875      0.98989930
+H      4.62930923      3.22913922      2.66290993
+H      3.78901962      4.79934706      2.67773710
+H      5.07810637      4.49280437      1.47340214
+H      1.78616442      4.17802078     -0.27068250
+H      3.35596871      5.04068774     -0.34160133
+H      2.21012454      5.33684056      1.00366712 
+
+11
+-1284.8922860362059 10.239109 11.02016 -10.9312 -8.7572 -10.305 -0.5068 -2.2432 -0.617 9.79542 1.1146 5.049515829 6.5042807628 0.329756771
+C      1.04254740      0.29860507      0.15317039
+C      2.36160497      0.10794338     -0.01838595
+C      2.99966791     -1.27587029     -0.03644809
+C      3.52385703     -1.64480848     -1.35163147
+N      3.93304409     -1.95117504     -2.39918538
+C      3.24961434      1.21996905     -0.17361748
+N      4.00448083      2.10557699     -0.28449909
+H      0.61579359      1.30018475      0.17495683
+H      0.36706355     -0.54843673      0.27428771
+H      2.25385378     -2.02417369      0.26759613
+H      3.82631251     -1.31843501      0.69038640 
+
+15
+-1550.6912614835114 14.875553 13.28517 -7.8225 -6.0341 -8.046 0.3577 -1.1559 0.011 7.50843 0.48079 4.4795397884 4.4795397884 0.836662087
+C      2.82055490     -1.67392970     -0.19526061
+C      3.64794620     -0.68747578      0.20900016
+C      3.40189843      0.72387149      0.03438183
+C      4.26789149      1.68183947      0.44774873
+N      4.07282201      3.04345515      0.29889109
+C      4.93967873      4.05647813      0.70718289
+N      6.07946059      3.98889145      1.28971305
+H      3.06741306     -2.72243541     -0.03312326
+H      1.87617310     -1.45511480     -0.69892640
+H      4.58488837     -0.95755658      0.70983756
+H      2.46825777      1.01782272     -0.45880000
+H      5.20189695      1.40429698      0.93991637
+H      3.21264258      3.34278546     -0.15441241
+H      4.53297199      5.04811685      0.46786454
+H      6.37711384      3.02094457      1.47159645 
+
+15
+-1547.5092458253175 13.112492 12.6269 -8.3139 -6.518 -8.599 0.1638 -1.4111 -0.073 7.97908 0.58518 4.8948680912 4.8948680912 0.474131544
+C      3.31682480     -0.71038569      0.08169668
+C      2.55014106      0.34880100      0.39372755
+C      2.67669228      1.70659689     -0.14680590
+C      1.71803914      2.63477656      0.09037615
+N      3.82480463      1.96694463     -0.91416790
+C      3.95214500      2.94814876     -1.88460333
+N      5.01403678      3.33593149     -2.49303797
+H      3.14828192     -1.67823948      0.55251556
+H      4.11320054     -0.66511353     -0.66401308
+H      1.74739069      0.22845082      1.12578317
+H      0.81536720      2.34626312      0.62516061
+H      1.79982529      3.66673446     -0.24512553
+H      4.65453025      1.41826143     -0.69675044
+H      2.99100066      3.40062947     -2.15985296
+H      5.85369976      2.85305007     -2.13700260 
+
+11
+-1276.5483399661248 9.943159 10.9184 -11.0387 -8.8612 -10.493 0.6923 -1.1545 0.177 9.95744 0.23371 5.3071959328 6.5909841726 0.255253924
+C      1.38256807     -0.51579946      0.72215684
+C      2.30282382     -0.07388624     -0.13374247
+C      3.05197042      1.25112175      0.00329362
+C      2.66312964      2.01525439      1.19640929
+N      2.31542451      2.61388265      2.13287751
+C      4.50989686      1.03313622     -0.02872132
+N      5.65529046      0.83231813     -0.09831679
+H      0.88119887     -1.46719132      0.54681664
+H      1.10006265      0.04828095      1.61279295
+H      2.58677501     -0.64609587     -1.01920516
+H      2.81144969      1.88179880     -0.87448110 
+
+17
+-1684.4695210811694 12.359794 12.87346 -8.7017 -6.7517 -9.617 1.1166 -0.4445 0.963 8.88619 -0.44577 4.988080766 6.649059215 0.399470815
+C      0.93797186      1.81145904      1.53494131
+C      1.71666207      1.77774143      0.44622620
+C      2.75505815      0.73025721      0.16281451
+C      4.17435178      1.31135766      0.07182240
+N      4.55131455      1.93818336      1.32706231
+C      5.80464055      2.47042174      1.54371682
+N      6.87156057      2.38076517      0.82834420
+H      0.20292034      2.60321463      1.68665877
+H      1.00078200      1.03648124      2.30377913
+H      1.61921545      2.57294625     -0.30318833
+H      2.53431281      0.24148049     -0.80068697
+H      2.72683799     -0.04894199      0.94067059
+H      4.23389418      2.02948008     -0.77030167
+H      4.88275458      0.49600131     -0.14779838
+H      3.78571567      2.33501450      1.86910219
+H      5.86392223      3.01834561      2.49568947
+H      6.70019524      1.85759229     -0.04202253 
+
+9
+-1111.9582542439935 9.521941 10.80941 -11.6709 -9.2424 -10.817 0.7083 -0.9109 0.336 10.40022 -0.14112 4.4103432018 8.6212797198 0.100949189
+C      0.93837235     -0.01265305      0.01287786
+C      2.14696874      0.00650603     -0.01299711
+C      3.61424025      0.02382540     -0.03383660
+C      4.15846602     -0.72269671     -1.18826442
+N      4.59166112     -1.33775987     -2.07670739
+C      4.15008369      1.40148592     -0.00219355
+N      4.57620641      2.48326427      0.05667459
+H     -0.13273131     -0.03036747      0.03697833
+H      3.99003273     -0.48317452      0.87678829 
+
+17
+-1691.511521247212 13.290759 13.32208 -7.7916 -5.9736 -8.384 0.7295 -0.1627 0.639 7.77729 -0.10503 5.0044965124 5.079892399 0.457633808
+C      1.06909421     -0.60731411      0.04118914
+C      2.37667776      0.10383014      0.20380814
+C      2.60709196      1.43689602      0.19828524
+C      1.55547544      2.49426730      0.02294781
+N      3.92875029      1.90237476      0.36515251
+C      4.37860582      3.20716663      0.41795292
+N      5.58592439      3.62900019      0.56995678
+H      1.10168962     -1.30673020     -0.81083918
+H      0.22378760      0.07223608     -0.12577655
+H      0.83228274     -1.21352783      0.93156149
+H      3.24626434     -0.54941424      0.34532850
+H      0.56938973      2.04078048     -0.11364729
+H      1.76314617      3.12416780     -0.85574775
+H      1.50243886      3.15773161      0.90005250
+H      4.63988680      1.17894932      0.46747569
+H      3.58322255      3.95322683      0.31464097
+H      6.25198171      2.84522923      0.65632910 
+
+11
+-1286.9067656029777 10.688487 11.24884 -10.5707 -8.4699 -9.995 -1.1674 -2.7843 -1.103 9.53657 1.74918 4.929373395 10.3770454658 0.355568545
+C      0.97534122     -0.19659648      0.00592059
+C      2.46104729     -0.07650063      0.00583272
+C      3.13840744      1.10374661     -0.00090480
+C      2.43993992      2.35443721     -0.00843126
+N      1.82892001      3.35066462     -0.01324512
+C      4.56961534      1.14594813      0.00111970
+N      5.73774145      1.17609865      0.00236957
+H      0.65934567     -1.24430540     -0.02939968
+H      0.53544470      0.33539346     -0.85180591
+H      0.54489662      0.26839906      0.90679145
+H      3.06327034     -0.98762523      0.01389274 
+
+19
+-1816.1412664249378 12.713423 13.57297 -9.0637 -6.8689 -8.793 0.8879 -0.0761 1.506 8.20526 -0.81449 6.1260614698 6.1260614698 0.372155951
+C      1.09113190     -0.89852206     -0.01364147
+C      2.47150135     -0.32259236     -0.12286732
+C      2.84810226      0.96587614     -0.01461989
+C      1.90190664      2.11583613      0.24532334
+N      2.04057726      2.57150955      1.64644485
+C      4.30594263      1.35318681     -0.12898164
+N      4.52933673      2.17705774     -1.33426000
+H      1.04126079     -1.63537880      0.80445109
+H      0.81610493     -1.44033663     -0.93313829
+H      0.32144870     -0.13822466      0.17142360
+H      3.26663963     -1.05787095     -0.30155004
+H      0.86914190      1.84306717     -0.03926066
+H      2.21056829      2.94981377     -0.40508939
+H      1.64736649      1.86669048      2.27575149
+H      1.49611336      3.42565741      1.78783780
+H      4.93023015      0.43925778     -0.08353683
+H      4.56302018      1.97492359      0.74453990
+H      4.47724852      1.58674487     -2.16828142
+H      5.46968830      2.57699402     -1.31529511 
+
+19
+-1817.3491885505666 12.844686 13.80581 -8.7275 -6.6427 -8.971 0.9146 -0.0422 1.444 8.47609 -0.80488 6.2665748036 6.2665748036 0.409031212
+C      0.67193505      0.59874653     -1.01906107
+C      2.00316207      0.67908821     -0.33425645
+C      3.06083212      1.37761189     -0.77239253
+C      4.40291760      1.42306003     -0.08918806
+N      5.47143007      0.73712634     -0.85558895
+C      4.86673677      2.86619314      0.18936892
+N      5.22138789      3.55667043     -1.06395799
+H      0.42002301     -0.44083069     -1.28565606
+H      0.65519725      1.20082389     -1.93831104
+H     -0.13732189      0.95563961     -0.36140272
+H      2.10101588      0.11295929      0.60189109
+H      2.98727006      1.95518078     -1.70261957
+H      4.32275326      0.91109592      0.88551909
+H      5.48725914      1.14452620     -1.79751166
+H      5.19921787     -0.24020551     -0.99036103
+H      5.70305789      2.82263816      0.91211203
+H      4.03910356      3.41178231      0.66666435
+H      6.19558584      3.35254886     -1.29879047
+H      5.16669656      4.56786459     -0.93682790 
+
+17
+-1685.8658707767186 12.941806 13.73233 -8.5634 -6.6433 -9.242 1.31 -0.1324 0.971 8.65622 -0.44437 5.0416551166 5.994475128 0.418999891
+C      0.57676312      0.53826527      1.03573316
+C      2.04517671      0.77586962      1.20351929
+C      2.86366426      1.27129517      0.26498088
+C      4.33691449      1.48423901      0.46237670
+N      4.71704899      2.88082566      0.25787784
+C      5.87975682      3.26970338     -0.37020563
+N      6.42702003      4.43144898     -0.44403076
+H      0.33126426     -0.52703840      1.17263972
+H      0.22672687      0.84522529      0.04071355
+H     -0.00326508      1.09034364      1.79225648
+H      2.47404398      0.50814842      2.17790167
+H      2.46365311      1.55783974     -0.71473741
+H      4.90683157      0.89357988     -0.27422547
+H      4.63618403      1.12202405      1.46361232
+H      4.24594008      3.56923653      0.84187398
+H      6.36681145      2.43476628     -0.89790812
+H      5.89057531      5.13488747      0.08743181 
+
+19
+-1816.4099060560088 12.43593 13.11727 -9.0924 -6.8698 -9.168 0.795 -0.1392 1.382 8.55508 -0.73599 6.3567870172 6.3567870172 0.399669624
+C      2.64737612     -0.72296128      1.83208254
+C      2.52276403     -0.22341192      0.41443290
+C      1.77465021     -0.86764129     -0.49661352
+C      3.27834955      1.04749423      0.03607397
+N      2.96394330      2.22483289      0.86759578
+C      4.80179412      0.83788261      0.04614315
+N      5.19406391     -0.16792477     -0.94626955
+H      2.28973251      0.02581276      2.55700441
+H      3.69547546     -0.94072797      2.09582498
+H      2.06275308     -1.63992606      1.98143091
+H      1.22328522     -1.77768792     -0.24824556
+H      1.69367410     -0.50036141     -1.52200714
+H      3.00405418      1.29981783     -1.00145508
+H      3.24936280      2.05987230      1.83722866
+H      1.95082132      2.36673921      0.88725779
+H      5.12404485      0.60868570      1.08597710
+H      5.26247657      1.79979461     -0.22448014
+H      4.74847104     -1.06454646     -0.73133823
+H      6.20344763     -0.32152308     -0.91157294 
+
+17
+-1685.738476668182 12.593755 13.07844 -8.6392 -6.7183 -9.404 1.1316 -0.3033 0.92 8.756 -0.39814 5.0549216186 6.0051007282 0.344828972
+C      2.81508336     -1.04647625      1.70854992
+C      2.74757625     -0.86320669      0.21800379
+C      2.23294442     -1.78252697     -0.61243796
+C      3.29112959      0.44176167     -0.32820800
+N      4.70715438      0.63222075     -0.03128570
+C      5.23671587      1.77856030      0.51738058
+N      6.46516749      2.11306092      0.69843521
+H      2.22562924     -0.27078340      2.22419135
+H      3.84878100     -0.94410364      2.07090477
+H      2.43316664     -2.02908736      2.01232734
+H      1.82287506     -2.72374336     -0.24155746
+H      2.19795768     -1.61561635     -1.69136751
+H      2.75568468      1.28799926      0.13388862
+H      3.10251907      0.49557871     -1.41442072
+H      5.35592925     -0.04400448     -0.42910573
+H      4.45434014      2.47651784      0.85406233
+H      7.11036588      1.38957904      0.34519917 
+
+11
+-1289.8720743160902 11.114119 11.28395 -10.4834 -8.4738 -9.994 -1.3754 -3.0813 -1.371 9.51203 1.75804 4.7291236064 4.7291236064 0.432821963
+C      0.95498356      0.07071948     -0.00609852
+C      2.46057702     -0.01423799     -0.00151347
+C      3.15540373     -1.18370838      0.00349437
+C      2.50513899     -2.44290365      0.00593026
+N      1.97699765     -3.48790890      0.00829974
+C      3.19445942      1.21001452     -0.00471105
+N      3.75605327      2.23652696     -0.00797170
+H      0.61469591      1.11042254      0.02553953
+H      0.54072034     -0.46484716      0.85936606
+H      0.55075068     -0.40478346     -0.91085743
+H      4.24606944     -1.18806397      0.00501219 
+
+17
+-1692.4358228904457 13.296015 13.27312 -7.8858 -6.0107 -8.243 0.6678 -0.2644 0.726 7.71624 -0.14562 4.949149162 4.9878203954 0.406180135
+C      0.96887928     -0.01046342     -0.11698830
+C      2.46358691     -0.14544900     -0.02103594
+C      2.99066244     -1.55384240     -0.00230094
+C      3.24075588      0.95709870      0.04064829
+N      4.63199472      0.98758146      0.13067325
+C      5.42591878      2.12600347      0.19277499
+N      5.10861068      3.37021697      0.18351520
+H      0.65164052      1.04099667     -0.12941682
+H      0.46820934     -0.50584917      0.73232063
+H      0.58271237     -0.49183786     -1.03162057
+H      2.55840529     -2.12057848      0.83911762
+H      4.08316893     -1.62612192      0.08709831
+H      2.70344982     -2.09082624     -0.92180995
+H      2.77658699      1.94401716      0.02115593
+H      5.12341738      0.09925977      0.15248167
+H      6.49111379      1.86445774      0.25964148
+H      4.09236686      3.51671654      0.11847515 
+
+19
+-1829.1398162859546 12.356658 13.14927 -8.5743 -6.6511 -9.586 0.7108 -0.2259 1.002 8.77332 -0.45667 5.0144029938 6.0808437756 0.210072797
+C      1.02861864     -0.32705059     -0.10104128
+C      2.55538518     -0.44886121      0.00464851
+C      2.90821619     -1.43355507      1.13191908
+C      3.13778934     -0.93630920     -1.33654526
+N      3.06149905      0.90555179      0.34109374
+C      4.38903676      1.19397426      0.58313228
+N      4.99224942      2.33174719      0.56719422
+H      0.74290163      0.38487574     -0.89129015
+H      0.59758690      0.01611314      0.85010892
+H      0.58374523     -1.29919471     -0.35379985
+H      2.53248170     -1.06580861      2.09666115
+H      3.99197905     -1.58947627      1.22044813
+H      2.45216934     -2.41264654      0.92769614
+H      2.88018471     -0.24082787     -2.14879746
+H      2.74438286     -1.92989331     -1.59818395
+H      4.23384709     -1.00595120     -1.28624483
+H      2.52707811      1.66871381     -0.07431189
+H      4.98031622      0.31358682      0.86984954
+H      4.34752258      3.08844183      0.28693294 
+
+13
+-1425.6005748527634 10.090642 11.31573 -12.1041 -9.7403 -11.973 0.9954 -0.6633 0.507 11.57598 -0.31568 5.3002899126 11.1925385836 0.388648657
+C      0.95286568      0.00305469     -0.01351718
+C      2.50416859     -0.02157748      0.01311221
+C      3.03156803     -0.73313081      1.28722113
+C      3.00012181     -0.73319297     -1.18221309
+N      3.36504878     -1.33933024     -2.10839396
+C      3.01303955      1.36479737     -0.01554193
+N      3.38814375      2.46800968      0.00922804
+H      0.58468212      0.50743187     -0.91418414
+H      0.58458988      0.53642560      0.87141921
+H      0.57450334     -1.02647520      0.00024226
+H      2.66792509     -0.20132098      2.17501101
+H      4.12735049     -0.74731941      1.30260381
+H      2.65993290     -1.76504212      1.30531264 
+
+21
+-1956.8692370830759 12.418754 13.50365 -8.8036 -6.5667 -10.299 0.8595 -0.0955 2.904 10.02447 -2.55308 8.487399637 10.5792170374 0.103035399
+C      0.98294734     -0.01195181      0.11590539
+C      2.51774264     -0.06134516      0.07115482
+C      3.05022732     -0.68662580      1.37284532
+C      2.98245785     -0.88926756     -1.15123838
+N      2.58784952     -2.30922639     -1.05612191
+C      3.04728852      1.38509267     -0.07637993
+N      4.51750424      1.47539538     -0.04147512
+H      0.57943164      0.52249157     -0.75932269
+H      0.62577321      0.50390917      1.02069857
+H      0.57385712     -1.03145617      0.10715026
+H      2.78748590     -0.06375486      2.24304045
+H      4.14522007     -0.80131178      1.34860576
+H      2.60632513     -1.67952912      1.53592385
+H      4.06979478     -0.73481868     -1.27319266
+H      2.49394329     -0.47094557     -2.04785094
+H      3.25091272     -2.81265523     -0.46139623
+H      2.66397745     -2.74264898     -1.97846335
+H      2.54954878      2.00748280      0.69625924
+H      2.71471791      1.77529975     -1.05339293
+H      4.84983262      1.41003166      0.92327095
+H      4.81322194      2.39306411     -0.37836046 
+
+21
+-1957.8532391157596 12.442531 13.55842 -8.8701 -6.6812 -10.277 0.8909 -0.0865 2.96 9.7537 -2.63466 8.382941432 13.119082646 0.102620605
+C      1.25673621     -0.31575467      1.16443470
+C      2.71634820     -0.36326387      0.69393382
+C      2.88491138     -1.47760276     -0.34961875
+C      3.18708214      1.01950122      0.16488939
+N      3.02908300      2.13303841      1.12508871
+C      4.65162655      1.03469006     -0.30811643
+N      5.57370437      0.85562782      0.82823358
+H      1.09715587      0.42582554      1.95997456
+H      0.94350202     -1.29211205      1.56232689
+H      0.58065665     -0.06787764      0.32856834
+H      3.35998104     -0.60561716      1.55850260
+H      2.36156291     -1.22629157     -1.28748555
+H      2.45881989     -2.42204016      0.02050361
+H      3.93930304     -1.66924655     -0.58919720
+H      2.56659892      1.27256588     -0.71562612
+H      3.38985556      1.83363896      2.03704729
+H      2.03832886      2.33269505      1.27204096
+H      4.81078764      1.98433003     -0.85264038
+H      4.82312357      0.21695991     -1.02217409
+H      5.66240880      1.74698073      1.32363735
+H      6.50960337      0.63500283      0.48347672 
+
+19
+-1829.0342494941465 12.339169 13.31343 -8.7274 -6.7394 -9.634 0.7223 -0.2125 1.002 8.8384 -0.47512 4.994032094 8.67406056 0.310068009
+C      0.88239320     -0.11595606      0.19837240
+C      2.39311773     -0.19161638     -0.05236832
+C      2.71240412     -1.10183721     -1.24329652
+C      3.00935419      1.19683775     -0.27588361
+N      2.88844481      2.04360518      0.90131487
+C      3.22708878      3.38099800      0.90032006
+N      3.53470524      4.15268121     -0.08300136
+H      0.63870096      0.54119198      1.04449080
+H      0.47018048     -1.11314464      0.40977635
+H      0.36404273      0.28033824     -0.68940011
+H      2.87594488     -0.62797346      0.84382916
+H      2.26619769     -0.70592907     -2.16952550
+H      2.30601966     -2.11084639     -1.08532470
+H      3.79647754     -1.19502038     -1.40386528
+H      2.48510709      1.68966010     -1.11426734
+H      4.06942399      1.08835800     -0.57842822
+H      2.92239378      1.57363164      1.80242551
+H      3.18422529      3.81937815      1.90843769
+H      3.55825782      3.63728334     -0.97405586 
+
+13
+-1429.8363232251309 10.127556 11.4145 -11.9559 -9.5393 -11.962 0.4822 -0.6585 0.967 11.66195 -0.74895 5.370515583 11.0003602836 0.126320292
+C      0.95850943      0.01323134      0.07131781
+C      2.49630936     -0.01434843      0.01230902
+C      2.99145631     -0.78088723     -1.24524378
+C      4.43140766     -1.01597032     -1.25490209
+N      5.57900521     -1.22074906     -1.24807884
+C      3.03648011      1.34861517      0.03872190
+N      3.43164521      2.44551586      0.05251073
+H      0.61833813      0.55549285      0.96162793
+H      0.56704019     -1.01164759      0.11702825
+H      0.54098295      0.51208357     -0.81355784
+H      2.88507336     -0.53281839      0.90429416
+H      2.71148088     -0.22864751     -2.15542158
+H      2.48201121     -1.75591025     -1.28309567 
+
+17
+-1665.418184427544 12.5713 14.01924 -8.8916 -6.7131 -9.253 0.7604 -0.1732 2.298 8.85178 -1.86581 4.1364581278 10.7171390638 0.262790566
+C      0.94995821      0.03932355      0.08376391
+C      2.40421964      0.00998323      0.02549880
+C      3.62127883     -0.02689681     -0.01446971
+C      5.08433212     -0.03358736     -0.11442000
+N      5.61133585     -0.73989639     -1.30591084
+C      5.65318333      1.41354751     -0.10908575
+N      7.10875385      1.50708912     -0.11805667
+H      0.57181927      1.07257614      0.10268572
+H      0.57823666     -0.46947502      0.98585620
+H      0.50569516     -0.46249555     -0.78915013
+H      5.50011367     -0.55275695      0.76836727
+H      5.09963963     -0.40559149     -2.12932996
+H      5.38994989     -1.73592936     -1.23279233
+H      5.25639524      1.94774398      0.76654680
+H      5.25646881      1.93229552     -0.99914718
+H      7.46330700      0.85632943     -0.82672307
+H      7.48227282      1.17998044      0.77716695 
+
+15
+-1530.4550269525 12.453483 13.87888 -8.7548 -6.7808 -9.382 0.6905 -0.2087 0.955 8.81089 -0.39811 4.1790473188 8.8010470212 0.444548864
+C      0.93422867     -0.11745426      0.09763322
+C      2.38230795     -0.03281902     -0.01219543
+C      3.59339474      0.03597274     -0.08823373
+C      5.04464656      0.13071895     -0.21560250
+N      5.55489841      1.44588302      0.17712438
+C      6.82080086      1.61946526      0.69476830
+N      7.50190243      2.69834251      0.85214553
+H      0.48524437      0.88542911      0.15074048
+H      0.63556524     -0.66664905      1.00267407
+H      0.49898934     -0.63352256     -0.77072325
+H      5.33576675     -0.12668970     -1.25264494
+H      5.52648743     -0.61571243      0.43709382
+H      5.11296966      2.24809014     -0.26735100
+H      7.26161428      0.67365463      1.04682537
+H      6.99807331      3.52046067      0.48471567 
+
+17
+-1689.9262984855075 13.317238 13.49384 -8.0621 -6.2115 -8.478 1.1824 -0.3647 0.667 7.91906 -0.12099 4.9442269178 5.1293132186 0.406580371
+C      5.12176415     -0.99992319     -0.02956592
+C      3.88747208     -0.22189930     -0.51242792
+C      3.63767509      1.03217524      0.27174331
+C      3.62535087      2.26643822     -0.26252575
+N      3.37070854      3.44243055      0.44005967
+C      3.47344056      4.73689773     -0.05494523
+N      3.84545315      5.16215137     -1.20761660
+H      5.25806972     -1.92335904     -0.61068765
+H      5.02310551     -1.28237806      1.02939163
+H      6.03282862     -0.39249614     -0.12968561
+H      3.00413675     -0.88224048     -0.44177402
+H      3.99789568      0.02829683     -1.58024691
+H      3.46661115      0.91572870      1.34905162
+H      3.80207174      2.41048402     -1.33069132
+H      3.10382936      3.35083779      1.41681145
+H      3.17136648      5.47710777      0.69878538
+H      4.12473056      4.39816799     -1.83771615 
+
+17
+-1689.9725829206145 12.928544 12.97344 -8.1375 -6.2838 -8.716 1.1839 -0.3085 0.578 8.01403 -0.07917 4.9877460038 5.294512165 0.438391273
+C      2.88141091      0.01787418     -1.66536533
+C      2.41956671      0.40749014     -0.25113529
+C      2.32057827      1.89806874     -0.02784412
+C      1.13223750      2.53270722      0.04296137
+N      3.51931780      2.62698859      0.06188709
+C      4.81117031      2.14501621      0.17722756
+N      5.90031072      2.81555834      0.31058834
+H      2.90921888     -1.07569542     -1.77057860
+H      3.88364255      0.40273739     -1.89868617
+H      2.18793667      0.41671627     -2.41868161
+H      3.08357305     -0.04694354      0.50278149
+H      1.42134458     -0.01240133     -0.06542706
+H      0.20440365      1.97224616     -0.04487689
+H      1.05900608      3.61258950      0.18218959
+H      3.41463153      3.63919808      0.12756716
+H      4.87966801      1.05222087      0.14546364
+H      5.71990276      3.83162858      0.33096883 
+
+15
+-1565.5050398107742 11.98411 12.36381 -8.3176 -6.4581 -8.608 0.6872 -0.6826 0.088 8.12513 0.43578 4.7013259452 4.7013259452 0.31194625
+C      2.19191051     -0.54676362      1.44371408
+C      2.26985497      0.07659912      0.04161727
+C      2.87223797      1.46805219      0.03419465
+C      2.15392132      2.62314195     -0.07428982
+N      0.79650623      2.72461649     -0.25397267
+C      4.28167908      1.56918375      0.18004292
+N      5.44779463      1.59808802      0.30709834
+H      1.76550021     -1.55920926      1.39976656
+H      1.56886355      0.06026997      2.11663351
+H      3.19283477     -0.61916954      1.89169569
+H      1.26899275      0.10426301     -0.41884026
+H      2.87483108     -0.57071358     -0.61264813
+H      2.68152632      3.57839202     -0.07262150
+H      0.21192942      1.92128560     -0.04620192
+H      0.36430718      3.62241388     -0.07204872 
+
+21
+-1959.9198832253412 12.426735 13.53331 -8.8113 -6.6621 -10.204 0.8814 -0.0755 2.928 9.71902 -2.5911 8.2169117794 10.5274404838 0.103566351
+C      0.98854894     -0.10777324      0.19597992
+C      2.45858032     -0.10233396     -0.22795528
+C      3.20438816      1.25158095     -0.07947385
+C      2.64236613      2.30521277     -1.04006603
+N      3.15466563      1.80681325      1.29285296
+C      4.70235815      1.03586156     -0.40915870
+N      5.37716325      0.24241835      0.63236913
+H      0.55878029     -1.11355509      0.08311415
+H      0.37495068      0.57711133     -0.40838266
+H      0.86826025      0.17647006      1.25285768
+H      2.53305361     -0.42602906     -1.28143041
+H      3.01827210     -0.84501862      0.36430240
+H      2.74167343      1.97631149     -2.08521754
+H      3.18062213      3.25609014     -0.91875999
+H      1.57549417      2.49545490     -0.85036790
+H      3.37414174      1.05405515      1.95329318
+H      2.19971808      2.10292004      1.51000742
+H      5.16325066      2.03055121     -0.55940185
+H      4.77577065      0.48916717     -1.36286621
+H      5.67657436      0.86562970      1.38588763
+H      6.22707728     -0.18063811      0.25739595 
+
+19
+-1829.234668840642 12.452421 13.40228 -8.5889 -6.6535 -9.548 0.7668 -0.1553 0.999 8.73836 -0.4569 5.0347986908 6.0543107716 0.220346144
+C      2.95004243     -1.16125169     -0.35878139
+C      2.36720045     -0.03240239      0.49052147
+C      3.06241889      1.32423326      0.29063438
+C      2.31585595      2.46108139      1.00132260
+N      4.46692680      1.24834741      0.70921045
+C      5.47545744      1.94271115      0.07372656
+N      6.66818091      2.21598451      0.47222579
+H      2.43720239     -2.11242172     -0.15912479
+H      4.02058290     -1.30052392     -0.15332548
+H      2.84242184     -0.94372732     -1.43256253
+H      2.41689992     -0.29819172      1.56216273
+H      1.29648600      0.09549599      0.26279088
+H      3.08644136      1.54018829     -0.79195788
+H      2.27104893      2.27970517      2.08698296
+H      1.28294172      2.54626278      0.63289580
+H      2.82226197      3.42233982      0.83862624
+H      4.62130818      1.04033884      1.69629350
+H      5.18703521      2.25769554     -0.94111262
+H      6.82669671      1.88049460      1.43517133 
+
+13
+-1425.212580134754 10.138186 11.45179 -12.113 -9.7236 -12.013 0.6874 -0.6747 0.512 11.7047 -0.33456 5.3214667214 11.4743711602 0.291408034
+C      1.07767652     -0.20359321     -0.27048682
+C      2.58827570     -0.07365888     -0.10239810
+C      3.05352118      1.41100524     -0.01867055
+C      2.45866088      2.10405319      1.13389948
+N      1.94309426      2.62708651      2.03837786
+C      4.51936165      1.50933596      0.01328516
+N      5.68380979      1.54713189      0.00441337
+H      0.79696903     -1.26300702     -0.33411618
+H      0.73062575      0.28989982     -1.19032164
+H      0.53727758      0.23659978      0.57899042
+H      3.11874270     -0.52460967     -0.95312031
+H      2.93076182     -0.59087307      0.80514350
+H      2.71086313      1.94176946     -0.92599619 
+
+21
+-1956.2160247430907 12.53315 13.84451 -8.8924 -6.6248 -10.362 0.9012 -0.0227 3.061 10.08497 -2.74493 8.6062030222 10.5299202038 0.075345677
+C      2.73643716     -0.70789522     -1.13521392
+C      2.57302716     -0.03060820      0.22776485
+C      3.12398378      1.40420782      0.30374670
+C      2.52079355      2.17451333      1.49006253
+N      1.07964269      2.41865186      1.28976734
+C      4.65977162      1.43412003      0.36781724
+N      5.18347174      2.78752808      0.10881473
+H      2.31558807     -1.72389461     -1.12569346
+H      3.79150267     -0.79529054     -1.43675044
+H      2.21259396     -0.14042696     -1.92041146
+H      3.06139250     -0.64046592      1.00972259
+H      1.50403780      0.01355235      0.48705544
+H      2.82086611      1.93344239     -0.62338414
+H      3.11510608      3.09302127      1.64536440
+H      2.62988711      1.55505374      2.39796139
+H      0.95703596      3.14678110      0.58013870
+H      0.67143554      2.79563957      2.14792555
+H      5.06748372      0.66598815     -0.31756334
+H      4.97549013      1.14276872      1.38504691
+H      5.05366334      3.01793913     -0.88035718
+H      6.19253931      2.80832391      0.27248557 
+
+21
+-1958.6118706468649 12.567735 13.93938 -8.8744 -6.6739 -10.254 0.9071 -0.0619 3.053 9.76652 -2.77841 8.4187485888 11.4155522018 0.112661801
+C      0.97886875      0.51405288     -0.88143352
+C      2.47862186      0.37075586     -0.61097245
+C      3.19841085      1.71829830     -0.51716034
+C      4.70829708      1.62611636     -0.22159481
+N      5.50061462      0.87935408     -1.22010944
+C      5.33987689      3.02072512     -0.06136546
+N      5.42821151      3.70966006     -1.36223965
+H      0.48309437     -0.46572429     -0.94201642
+H      0.79653995      1.04122204     -1.83046287
+H      0.48438069      1.09032744     -0.08431363
+H      2.93096818     -0.23926131     -1.41178088
+H      2.62996179     -0.19219341      0.32769770
+H      2.72324221      2.31779989      0.28066891
+H      3.06232813      2.28765285     -1.45299091
+H      4.84348730      1.10144805      0.74182251
+H      5.25005948      1.22232084     -2.15353724
+H      5.23960300     -0.10829933     -1.20540810
+H      6.32227997      2.90033454      0.43327500
+H      4.70372244      3.62442610      0.60479904
+H      6.25866970      3.37454901     -1.85734857
+H      5.57089122      4.71040491     -1.21792885 
+
+19
+-1828.2950009604567 12.236922 13.21128 -8.6387 -6.6725 -9.515 0.7293 -0.2123 1.028 8.70833 -0.50148 5.0308063416 8.7040775706 0.313999623
+C      1.37727746     -1.25701262     -0.40864324
+C      2.67932187     -0.74436654      0.20955597
+C      3.02482374      0.68247570     -0.22434611
+C      4.32855179      1.22162671      0.38583425
+N      5.53456660      0.52998159     -0.04576233
+C      6.18553413      0.77866397     -1.23354264
+N      5.93182922      1.64373167     -2.15314968
+H      1.15343019     -2.28252750     -0.08197357
+H      1.43591058     -1.26197023     -1.50764696
+H      0.52382898     -0.62216032     -0.12514007
+H      3.50583385     -1.41933725     -0.06960204
+H      2.60489856     -0.78113517      1.31115723
+H      2.20607109      1.36432171      0.06433521
+H      3.09559433      0.72603681     -1.32402796
+H      4.28226127      1.15518955      1.48432030
+H      4.44156315      2.29190950      0.14518959
+H      5.87715137     -0.23952237      0.51814948
+H      7.05977350      0.12451497     -1.36910409
+H      5.09168833      2.19720982     -1.93288336 
+
+15
+-1521.3338081738414 13.140792 13.18862 -9.0623 -7.0833 -9.466 0.3398 -1.3567 0.076 9.0418 0.61023 4.4724973836 5.622021184 0.947674906
+C      1.30198047     -0.29888925      1.09258251
+C      2.19349845     -0.19809313      0.10125651
+C      2.97749213      1.04805392     -0.22947397
+C      4.44943455      0.84096761     -0.03270768
+N      5.26704871      0.93036131     -1.02182708
+N      6.60419694      0.68961377     -0.60776224
+C      7.42465313      0.80872914     -1.58679510
+H      0.76470982     -1.22906357      1.28174186
+H      1.07414040      0.54863457      1.74420560
+H      2.40058845     -1.06815536     -0.53072855
+H      2.64262317      1.87169070      0.42383464
+H      2.80930492      1.34702488     -1.27571193
+H      4.81664027      0.59306793      0.97604637
+H      8.48519883      0.64413612     -1.38040161
+H      7.09456977      1.06603135     -2.60330934 
+
+17
+-1656.471523585766 13.087111 13.52124 -8.4121 -6.4351 -9.13 1.4324 -0.2922 0.631 8.55816 -0.10299 4.7776021324 6.6664668494 0.430412913
+C      1.29605337      0.51047059      1.73706225
+C      1.86204285      0.62195640      0.52956160
+C      2.78394091      1.72593966      0.10616518
+C      4.17440847      1.20331894     -0.28637815
+N      5.03544326      2.27526650     -0.78818077
+N      4.68189409      2.78665027     -1.99541961
+C      5.57181688      3.39189408     -2.70136340
+H      0.63002344     -0.31815551      1.98198330
+H      1.47516946      1.25278546      2.51960076
+H      1.65260165     -0.14627036     -0.22504534
+H      2.88904693      2.47284993      0.90811198
+H      2.36867076      2.24547404     -0.77340955
+H      4.07263401      0.38879951     -1.02854884
+H      4.67670434      0.78330018      0.59787814
+H      6.04087288      2.10789807     -0.65861245
+H      5.25301995      3.83998330     -3.64236333
+H      6.62687674      3.48534894     -2.39409178 
+
+15
+-1530.0612719892592 14.771312 13.66344 -8.8097 -6.9178 -8.675 -0.1921 -1.7265 -0.405 8.1552 1.13547 4.276835077 4.6689036062 1.027526579
+C      0.64286998      0.14201084     -0.01287173
+C      2.11223629      0.00576582      0.20027109
+C      3.03016119      0.96598217     -0.04455112
+C      4.44008010      0.76413866      0.18529821
+N      5.29870451      1.70642256     -0.06034748
+N      6.60915191      1.28567385      0.23683499
+C      7.47290152      2.20733313     -0.00315038
+H      0.27681811     -0.62209763     -0.71770464
+H      0.37414501      1.13244154     -0.40310255
+H      0.09373470     -0.02298482      0.92839035
+H      2.46500594     -0.95756995      0.58783558
+H      2.72917682      1.94417673     -0.43169496
+H      4.78425016     -0.20784964      0.57468137
+H      8.52278792      1.97937537      0.19568991
+H      7.18615582      3.19444137     -0.39267862 
+
+17
+-1659.9063400048262 13.298615 13.83403 -8.2881 -6.3603 -8.997 1.5434 -0.1797 0.673 8.48644 -0.13073 4.8099500798 5.3525872074 0.451998237
+C      0.74215488      1.00818682      0.85107108
+C      2.23675661      0.95995882      0.77623347
+C      2.97403276      1.35854583     -0.26955707
+C      4.47054127      1.27532145     -0.32512306
+N      5.04988526      2.60414091     -0.53566341
+N      6.34802649      2.62047977     -0.93188034
+C      7.05825428      3.66750406     -0.69054904
+H      0.32027158      0.00025572      0.99397702
+H      0.30448556      1.43677782     -0.06110732
+H      0.40742726      1.61008062      1.71111652
+H      2.75645256      0.55202901      1.65293772
+H      2.48221711      1.77925775     -1.15455381
+H      4.79817433      0.66596412     -1.18214114
+H      4.85972377      0.78918509      0.59071105
+H      4.79448797      3.28897507      0.18916238
+H      8.07910390      3.68378623     -1.07249642
+H      6.68004441      4.54119091     -0.13333763 
+
+15
+-1529.0449490852109 13.822611 12.93552 -8.9377 -7.0454 -8.91 -0.2761 -1.8367 -0.458 8.33641 1.14601 4.2554970864 4.82429526 0.97496387
+C      0.93049682     -0.17744737      0.01178310
+C      2.41766704     -0.39727325      0.01567575
+C      2.98397231     -1.61277971      0.18231807
+C      3.29792411      0.75023128     -0.16865733
+N      2.82532508      1.94491564     -0.33393364
+N      3.86519831      2.88435760     -0.49069236
+C      3.41021997      4.07481974     -0.65542749
+H      0.64214656      0.53109829      0.80139587
+H      0.39266626     -1.12164616      0.16181274
+H      0.60878206      0.27347837     -0.93791629
+H      2.37936239     -2.50945608      0.32470136
+H      4.06870800     -1.73437086      0.17918471
+H      4.38627097      0.58095779     -0.16490828
+H      4.13802256      4.87923013     -0.78606067
+H      2.33370755      4.29736459     -0.66599555 
+
+17
+-1659.6781984315728 13.015265 13.26075 -8.4029 -6.4363 -9.143 1.4907 -0.2259 0.618 8.564 -0.08257 4.8143391842 5.371631457 0.42032425
+C      2.57791767     -1.69440219      1.53745596
+C      2.86875074     -1.12513618      0.17589814
+C      2.94159404     -1.87984338     -0.93101146
+C      3.06656189      0.37234550      0.09865644
+N      4.22704132      0.79054318      0.88815902
+N      4.24758760      2.09722903      1.25678592
+C      5.38081065      2.65468715      1.50866218
+H      1.64555198     -1.26939107      1.94365775
+H      3.37395849     -1.43036398      2.24974317
+H      2.47757775     -2.78664409      1.50540421
+H      2.78185733     -2.95930366     -0.89778196
+H      3.15215439     -1.43725064     -1.90697275
+H      2.20276915      0.89765441      0.53679754
+H      3.14768044      0.68890165     -0.95781238
+H      5.12021096      0.41008713      0.54594301
+H      5.36783085      3.68458497      1.86492105
+H      6.34953474      2.14006217      1.39600415 
+
+15
+-1527.625040271564 13.538547 12.75808 -8.656 -6.7961 -8.936 -0.2508 -1.8048 -0.401 8.39961 1.08146 4.044671292 4.846860712 0.908912428
+C      0.87163599     -0.03391006     -0.06160435
+C      2.34060972     -0.33462650      0.04107730
+C      2.81109966     -1.72194111     -0.00098329
+C      2.00364931     -2.78999014     -0.12970760
+N      3.12014031      0.70829548      0.16652189
+N      4.48908747      0.39494248      0.26091328
+C      5.20354513      1.45664370      0.36938741
+H      0.71699549      1.04877008     -0.00341458
+H      0.31215623     -0.52194340      0.75057578
+H      0.45919234     -0.40556774     -1.01173768
+H      3.89062913     -1.85068270      0.08183640
+H      0.91900646     -2.70056506     -0.21555327
+H      2.41275886     -3.80107726     -0.15185422
+H      6.28647969      1.33421021      0.45118462
+H      4.75952422      2.46292201      0.38239831 
+
+19
+-1804.8068472337002 12.792895 13.26047 -8.2566 -6.3155 -9.029 1.363 -0.1929 0.707 8.42242 -0.17486 4.7405799128 5.3298729722 0.338729302
+C      0.85689582     -0.61168304     -0.15667869
+C      2.37508711     -0.40640680     -0.22475729
+C      3.05423212     -1.00190637      1.02200043
+C      2.94442268     -1.04193719     -1.50002801
+N      2.58613091      1.06139356     -0.29533168
+N      3.87175980      1.48325841     -0.37043006
+C      4.16302003      2.67703705      0.01376546
+H      0.36404073     -0.18132653     -1.03999186
+H      0.43106997     -0.14120883      0.74417065
+H      0.62088767     -1.68353984     -0.11287550
+H      2.64379763     -0.55948628      1.94296053
+H      4.13427136     -0.80143743      0.99621226
+H      2.90251658     -2.09030584      1.07019259
+H      2.44176849     -0.63666290     -2.38943104
+H      2.79987868     -2.13116953     -1.47730372
+H      4.01799760     -0.83017522     -1.58535518
+H      1.99382987      1.58597841      0.36441646
+H      5.19234191      3.01338920     -0.11270005
+H      3.42238107      3.37072918      0.44690470 
+
+17
+-1667.40712044311 13.006934 13.40018 -8.9429 -6.977 -9.594 0.5679 -1.1577 0.264 9.17171 0.41839 4.4891982978 5.7389895764 0.743200586
+C      0.86403381     -0.25791517      0.04500193
+C      2.39366699     -0.09356680      0.00202417
+C      3.01040225     -0.92197456     -1.13927863
+C      2.75111800      1.35169566     -0.16186869
+N      3.44473046      1.97768552      0.72223272
+N      3.65701723      3.33196185      0.34872426
+C      4.35905194      3.95437703      1.22368984
+H      0.42430647      0.31060990      0.87605665
+H      0.59938201     -1.31719997      0.17535357
+H      0.40116561      0.09146837     -0.89103138
+H      2.82040435     -0.42664766      0.96131332
+H      2.62569707     -0.59651244     -2.11832038
+H      2.75824726     -1.98514714     -1.01591354
+H      4.10500814     -0.82801266     -1.15425692
+H      2.40538843      1.87822750     -1.06901395
+H      4.58390963      5.00738043      1.03630280
+H      4.73044035      3.46619014      2.13602423 
+
+19
+-1802.0187699909586 13.033008 13.7006 -8.3236 -6.3256 -9.059 1.506 -0.1724 0.685 8.47945 -0.16452 4.801481836 5.3509133964 0.39009415
+C      0.57669265     -1.09964497      0.17618117
+C      2.08329377     -0.94050330     -0.05284634
+C      2.60188210     -1.93971852     -1.09296487
+C      2.44597315      0.49057293     -0.47550247
+N      2.13792292      1.46038180      0.57275885
+N      2.02218682      2.75097440      0.17069375
+C      2.23403707      3.69122112      1.02539312
+H      0.20221568     -0.35538670      0.89185647
+H      0.33870904     -2.10234193      0.56014183
+H      0.02684786     -0.96255799     -0.76889854
+H      2.60339081     -1.14929167      0.90236166
+H      2.11904456     -1.77362370     -2.06939601
+H      2.38484755     -2.97333519     -0.78776409
+H      3.68910126     -1.85030461     -1.23610877
+H      1.85958007      0.78928384     -1.35810487
+H      3.51507973      0.53312886     -0.76460955
+H      2.66707361      1.31905039      1.44479393
+H      2.07022671      4.71790476      0.69834133
+H      2.55510464      3.50542048      2.06415339 
+
+13
+-1371.5788714796247 14.126175 13.8271 -9.0111 -7.1358 -8.875 -0.3049 -1.8828 -0.295 8.40455 0.99868 3.6386667364 5.3916180002 0.661819868
+C      0.91002263     -0.11109955     -0.03272452
+C      2.35386193      0.01641791      0.00169099
+C      3.56638156      0.14605609      0.03783639
+C      4.97795148      0.19531596      0.05180498
+N      5.62102607      1.28325206      0.35478421
+N      7.01160171      1.06021892      0.29257515
+C      7.67267548      2.12243830      0.58784093
+H      0.42399073      0.87509890     -0.03495442
+H      0.54798515     -0.66542901      0.84645417
+H      0.58372323     -0.65876721     -0.92920904
+H      5.53476538     -0.72015861     -0.20327952
+H      8.76321061      2.05904388      0.57007255
+H      7.17813404      3.06795236      0.85089814 
+
+15
+-1505.0924086327004 12.842708 13.98601 -8.4141 -6.4789 -9.035 1.459 -0.2974 0.626 8.58673 -0.08242 4.1802003886 10.178444691 0.770867349
+C      0.94310062     -0.08035766      0.03530565
+C      2.39668934     -0.01871442      0.02354424
+C      3.61115097      0.02508244      0.00125914
+C      5.06825656      0.07429265      0.00802514
+N      5.55364766      1.40801354     -0.37334065
+N      6.90652416      1.50470986     -0.43770863
+C      7.45382956      2.66148031     -0.29718250
+H      0.50684973      0.92931746      0.05794011
+H      0.57551284     -0.62278918      0.91905842
+H      0.55866072     -0.59138733     -0.85980697
+H      5.48469445     -0.64219761     -0.71761363
+H      5.44252382     -0.22630634      1.00645691
+H      5.06750561      2.17415573      0.11206614
+H      8.53549397      2.72565511     -0.41698185
+H      6.88405998      3.58014543     -0.07918151 
+
+19
+-1808.134504484095 12.955163 13.68919 -7.9025 -5.982 -8.665 0.8294 -0.1049 0.997 8.11849 -0.31784 4.8689674158 5.3434742364 0.187999135
+C      1.49746202     -0.18429881     -1.30707111
+C      2.22241390      0.21545483     -0.01208966
+C      2.61110052      1.67052139      0.03862749
+C      1.53340687      2.72241192      0.11297940
+N      3.87652750      1.94804021      0.03523587
+N      4.25868896      3.26503852      0.14047511
+C      5.62530751      3.50461329     -0.30955206
+H      1.22200380     -1.24867184     -1.28810072
+H      2.14235238     -0.01471324     -2.18161259
+H      0.57245466      0.39352406     -1.45369796
+H      3.13975678     -0.37867260      0.10534842
+H      1.57061513     -0.01506513      0.85055463
+H      0.53444328      2.27372803      0.17845624
+H      1.53715210      3.38656715     -0.77018733
+H      1.68268212      3.36578393      0.99700971
+H      3.59000532      3.93927417     -0.24831005
+H      6.30239775      2.85412940      0.25851033
+H      5.88437706      4.55071325     -0.09670466
+H      5.77687233      3.30803148     -1.38678105 
+
+17
+-1670.5529632376345 12.568442 12.93392 -8.6981 -6.8388 -9.365 0.8873 -0.7875 0.533 8.76202 0.09506 4.1590731742 5.6329691478 0.502170836
+C      2.10455980     -0.33684169      1.51256758
+C      2.24833362      0.03022780      0.02769722
+C      2.48574261      1.49912972     -0.20418834
+C      1.41858275      2.48671466      0.18201385
+N      3.61800819      1.84223455     -0.72562519
+N      3.81009640      3.16117575     -1.03113323
+C      4.76091385      3.78085637     -0.43229421
+H      1.92336439     -1.41454720      1.62755809
+H      1.26566674      0.19393675      1.98569786
+H      3.02049398     -0.08571475      2.06676614
+H      1.32567805     -0.26011725     -0.50599754
+H      3.08174898     -0.52495852     -0.42438323
+H      0.42671664      2.01543221      0.20455427
+H      1.42286567      3.32722105     -0.52795784
+H      1.60903290      2.91270222      1.17989731
+H      4.95980002      4.81150031     -0.73348521
+H      5.37384542      3.31911800      0.35525248 
+
+19
+-1802.6787468437797 12.914257 13.53899 -8.2822 -6.3315 -9.09 1.4212 -0.21 0.692 8.49858 -0.1652 4.7622774628 5.364440269 0.348094272
+C      3.13376014     -1.07995295      0.32659685
+C      2.16319851      0.02207456      0.76287609
+C      2.59016736      1.44866610      0.39242094
+C      1.47321113      2.45968201      0.64492973
+N      3.77936846      1.81235088      1.18298483
+N      4.37665734      2.98428001      0.84286325
+C      5.61429223      3.16242828      1.14908521
+H      2.73039252     -2.07369489      0.56671769
+H      4.11313686     -1.00863386      0.82417418
+H      3.31119092     -1.04401950     -0.75900600
+H      1.99697579     -0.02190775      1.85308212
+H      1.18364276     -0.15838537      0.29308171
+H      2.84442352      1.46467599     -0.68775335
+H      1.13899574      2.41061548      1.69206727
+H      0.61592575      2.25145003     -0.01082305
+H      1.82907421      3.47774467      0.44368733
+H      4.42819124      1.03146802      1.34222403
+H      6.05932146      4.12924143      0.91373977
+H      6.23280407      2.39425687      1.64372142 
+
+21
+-1950.0956649338311 12.53134 13.75003 -8.5451 -6.4188 -9.978 0.8815 -0.0575 3.199 9.26624 -2.8763 8.0389050792 11.0779879182 0.1149576
+C      1.93515919     -0.99040206      2.27505479
+C      1.80784071     -0.13781901      1.00799828
+C      2.57657137      1.19502379      1.02296673
+C      2.04620339      2.17361543      2.08673795
+N      0.65694104      2.56161065      1.79168508
+N      4.01418055      0.96043110      1.23227373
+C      4.88093588      2.01181108      0.70252110
+H      1.42471522     -1.95457287      2.13871527
+H      1.47224138     -0.49774333      3.14196487
+H      2.98443899     -1.19452590      2.53098153
+H      0.74839292      0.09631453      0.82679991
+H      2.15623390     -0.71922467      0.13574322
+H      2.40276848      1.67367091      0.02835651
+H      2.74202649      3.03198696      2.15666800
+H      2.06820664      1.67596170      3.06834197
+H      0.63515017      3.16669643      0.96595556
+H      0.28311973      3.12113478      2.56065164
+H      4.26088823      0.07860544      0.77693997
+H      4.77409931      2.93370366      1.29280186
+H      4.67855678      2.26908797     -0.36011202
+H      5.92989964      1.69482342      0.78778406 
+
+19
+-1804.3050524218606 13.104108 13.80045 -8.1066 -6.1359 -8.876 1.3427 -0.061 0.873 8.34832 -0.25561 4.9040678524 5.3770992396 0.196302392
+C      3.38382978     -1.19517270     -1.04768690
+C      2.65574582     -0.33854825     -0.01046795
+C      2.75585529      1.17567693     -0.28870170
+C      4.14656221      1.71517617     -0.15257756
+N      4.77368322      2.22516785     -1.15470584
+N      6.07731024      2.61326458     -0.98665593
+C      6.49501844      3.68352565     -1.88404317
+H      3.29317248     -2.26591669     -0.81478590
+H      4.45420088     -0.94664011     -1.09267864
+H      2.96869357     -1.03249854     -2.05420301
+H      3.05701774     -0.54915429      0.99625365
+H      1.58998565     -0.61763588      0.02249030
+H      2.09380353      1.70693961      0.41803270
+H      2.39665829      1.39925050     -1.30515932
+H      4.63092820      1.63606547      0.84177845
+H      6.34050912      2.78078636     -0.00579891
+H      6.28027979      3.37715326     -2.91563460
+H      7.57896736      3.82543075     -1.77841751
+H      5.98621838      4.64634934     -1.69272817 
+
+17
+-1666.6900556339358 12.856518 13.20729 -8.9658 -6.9824 -9.636 0.5433 -1.181 0.231 9.23509 0.44591 4.4795645856 5.748300925 0.732934253
+C      3.25627041     -1.00763995      1.18841692
+C      2.72588416     -0.23673120     -0.02140986
+C      2.98395347      1.28226367      0.06113513
+C      4.43402174      1.62617558     -0.01198105
+N      5.02049939      2.28526068      0.92548842
+N      6.39491498      2.48693569      0.62960686
+C      6.99115582      3.11388938      1.57705437
+H      3.04349376     -2.08205466      1.09670297
+H      2.79115174     -0.65007610      2.11947739
+H      4.34399256     -0.88814102      1.29870217
+H      1.64061171     -0.39589385     -0.11952547
+H      3.17893776     -0.63146901     -0.94653924
+H      2.56309179      1.70049442      0.98782080
+H      2.47532930      1.77232775     -0.78805850
+H      5.01134336      1.29551546     -0.89249521
+H      8.05709147      3.32105271      1.45393196
+H      6.46799659      3.43887045      2.48761233 
+
+19
+-1832.9689112264443 12.30845 13.54747 -8.4404 -6.5061 -9.486 0.7858 -0.1769 1.154 8.64642 -0.52184 4.909473642 8.5637502158 0.230418246
+C      1.00907843     -0.50508609      1.49324583
+C      2.09011337     -0.63686228      0.42007265
+C      3.19049953      0.43148226      0.55214834
+C      4.25131669      0.31979076     -0.53101046
+N      4.20220917      0.86428818     -1.70379484
+N      5.30363496     -0.51416843     -0.21537120
+C      6.43124454     -0.65733648     -1.12238266
+H      0.23436817     -1.27612341      1.37577944
+H      0.51360046      0.47670985      1.44181341
+H      1.43305921     -0.60927807      2.50403719
+H      1.63743580     -0.55719463     -0.58146007
+H      2.55192075     -1.63620479      0.46949836
+H      3.65146533      0.35560600      1.55342178
+H      2.74034249      1.43512291      0.49287423
+H      3.33365291      1.40194564     -1.79764485
+H      5.47655022     -0.67552049      0.77062798
+H      6.06603543     -0.96737556     -2.11012262
+H      7.10995066     -1.42394168     -0.72862531
+H      6.98186187      0.28894630     -1.25800721 
+
+19
+-1801.573995259363 13.10849 14.13874 -8.3373 -6.3294 -9.096 1.5085 -0.1714 0.684 8.52708 -0.16946 4.8000311998 5.374235163 0.413465672
+C      0.72540096     -0.33149249     -0.13375149
+C      2.23711531     -0.20523519      0.06166205
+C      2.77829189      1.17155634     -0.33352780
+C      4.28452945      1.29813492     -0.11864547
+N      4.75364999      2.63052100     -0.49348653
+N      6.10069910      2.77326085     -0.57979159
+C      6.61360508      3.94437212     -0.42351634
+H      0.36519731     -1.32893459      0.15563871
+H      0.44455991     -0.16681703     -1.18521382
+H      0.18230894      0.40867299      0.47396412
+H      2.75188290     -0.98094115     -0.53063031
+H      2.49085970     -0.40812893      1.11622009
+H      2.25518823      1.94585800      0.25739681
+H      2.54740148      1.37909311     -1.39172371
+H      4.82942893      0.58205630     -0.75157641
+H      4.53690325      1.05754037      0.93394591
+H      4.26194596      3.39745797     -0.01308415
+H      7.68959062      4.04719162     -0.56222634
+H      6.01771102      4.83780378     -0.17156374 
+
+20
+-1932.5387025104073 12.637974 14.3057 -8.7446 -6.7722 -10.404 0.9809 0.0949 3.28 9.69069 -2.98689 8.49986023 11.7579891352 0.114309815
+C      0.88717056     -0.14661398     -0.38822293
+C      2.41282320     -0.18526606     -0.48653460
+C      3.09134789      0.67153133      0.58132014
+N      4.55075036      0.58592926      0.49014853
+C      5.18358040      1.56644876     -0.40559909
+C      5.29936708      1.70294816      1.07805305
+C      6.56616962      1.37932121      1.82997316
+H      0.42167457     -0.77157019     -1.16330913
+H      0.50190656      0.87748947     -0.51137932
+H      0.53973491     -0.51598388      0.58904184
+H      2.73393088      0.16339100     -1.48246814
+H      2.77754581     -1.21998840     -0.38761502
+H      2.79990530      0.31447613      1.58433601
+H      2.73551877      1.72334876      0.49627259
+H      4.53110763      2.27568280     -0.92800156
+H      6.03167468      1.19717412     -0.98864287
+H      4.68789668      2.50585221      1.51256642
+H      7.11164583      0.56698994      1.33100503
+H      6.34319545      1.05720652      2.85842324
+H      7.22433383      2.25963284      1.88511264 
+
+20
+-1934.8935347241645 12.553499 13.92064 -8.7253 -6.7838 -10.387 0.9805 0.091 3.304 9.66394 -2.9931 8.5011744816 11.695537387 0.202126671
+C      1.30756207      0.23830949      0.18618100
+C      2.77972229     -0.00775852     -0.14407058
+C      2.94985348     -0.78764396     -1.44806709
+N      3.46864853      1.28840523     -0.26565263
+C      3.92625077      1.88448083      0.99687016
+C      4.90521920      1.29166244      0.03507871
+C      5.80522347      2.13371502     -0.83442207
+H      1.20189129      0.80227384      1.12414104
+H      0.76904298     -0.71355803      0.29703011
+H      0.83031012      0.81932336     -0.61671495
+H      3.23145164     -0.60199217      0.68351182
+H      2.51123190     -0.22637573     -2.28631028
+H      2.45202219     -1.76569483     -1.38361197
+H      4.01269940     -0.96002579     -1.67125853
+H      3.73404111      1.33029666      1.92293890
+H      3.82200159      2.97011095      1.07470639
+H      5.32640363      0.32668630      0.35037507
+H      5.30442903      3.07197828     -1.10896751
+H      6.06605265      1.60392250     -1.76306903
+H      6.74045266      2.37833412     -0.30849856 
+
+20
+-1932.3910630081211 12.581793 13.96632 -8.2736 -6.2796 -9.765 0.9796 0.0936 3.322 8.98114 -3.19211 7.9306281054 11.0373205102 0.13156501
+C      0.91611618     -0.37046085     -0.52566276
+C      2.40930768     -0.20092585     -0.80931905
+C      3.18010777      0.34927096      0.39087344
+N      4.59606260      0.51407364      0.10530591
+C      5.00177449      1.62924046     -0.78951821
+C      6.24239307      1.85134420      0.10660296
+C      5.45685688      1.06384688      1.18134436
+H      0.38648905     -0.77250248     -1.40088441
+H      0.44589089      0.59018312     -0.26440919
+H      0.74449741     -1.06238200      0.31356013
+H      2.54669611      0.47782637     -1.66826046
+H      2.85809427     -1.16428938     -1.10015694
+H      3.08740452     -0.34958612      1.24076136
+H      2.72011811      1.31447083      0.71738966
+H      4.30085380      2.48999417     -0.73704990
+H      5.15743580      1.35427180     -1.84378060
+H      7.12153530      1.30317484     -0.25455417
+H      6.51766235      2.88632126      0.33941834
+H      5.99055819      0.30973471      1.78069281
+H      4.90563554      1.74637344      1.86228670 
+
+18
+-1787.123744902268 12.512956 13.40308 -8.3812 -6.4091 -9.559 1.6771 0.0496 1.386 9.03944 -0.81226 6.7272819824 6.7272819824 0.415074475
+C      2.42730423      3.23528411      1.65878525
+C      2.71662582      1.97596282      1.31398569
+C      3.86011686      1.17914459      1.87390673
+N      4.72487593      0.66988904      0.81817043
+C      5.62380404      1.63149997      0.12745131
+C      6.70658357      0.52811391      0.08474934
+C      5.90056479     -0.14165416      1.22223655
+H      1.57646808      3.76582034      1.22879553
+H      3.03142625      3.77757401      2.39095631
+H      2.10464706      1.45777890      0.56807235
+H      3.46115567      0.30287594      2.41660225
+H      4.42220221      1.79518910      2.61461453
+H      5.92583583      2.47415434      0.78386658
+H      5.23784273      2.03470334     -0.82024071
+H      6.67646254     -0.05237249     -0.84578933
+H      7.73782253      0.82572038      0.30582133
+H      5.74570886     -1.23126322      1.19355856
+H      6.29422301      0.14470906      2.21996731 
+
+16
+-1629.106323686944 11.982688 13.08852 -8.5906 -6.5903 -9.666 0.9765 0.0238 2.398 9.36842 -1.96759 4.4033503914 10.7702422676 0.305560893
+C      3.51114525     -1.22996024     -2.37397012
+C      3.58868381     -0.69733354     -1.28663483
+C      3.65549462     -0.05385869      0.02267147
+N      4.39894498      1.20067038     -0.00956678
+C      3.79028313      2.35084834     -0.72831457
+C      4.32433112      3.27755579      0.38926686
+C      4.42382616      1.99369537      1.24556087
+H      3.44795273     -1.70044221     -3.33376121
+H      4.15779489     -0.73163702      0.73432226
+H      2.61490739      0.09196347      0.40011457
+H      2.68150287      2.31159299     -0.73054299
+H      4.14946093      2.49445080     -1.75722952
+H      5.30922952      3.69713079      0.15018847
+H      3.65712017      4.06942322      0.74734233
+H      5.31487773      1.84014844      1.87312291
+H      3.51239472      1.84666211      1.86233030 
+
+20
+-1934.3984651300073 12.508682 13.64433 -8.2595 -6.2941 -9.76 0.977 0.09 3.308 8.96941 -3.02493 7.9019625422 11.0223182042 0.127361584
+C      1.12506139      0.09471774      0.16661392
+C      2.63456505     -0.04365762     -0.03869226
+C      2.95736823     -0.73294902     -1.36556583
+N      3.26243177      1.27553083     -0.00005105
+C      3.22473875      2.02739215      1.28157236
+C      4.65674408      2.53078831      0.99033143
+C      4.74740683      1.34053099      0.00854696
+H      0.89055253      0.57703861      1.12639171
+H      0.64437449     -0.89374193      0.16314994
+H      0.68503059      0.70168960     -0.63888357
+H      3.04251553     -0.67481535      0.79008711
+H      2.55986852     -0.14539375     -2.20678520
+H      2.50969816     -1.73632273     -1.39640993
+H      4.04158077     -0.84616986     -1.50863131
+H      3.20309055      1.35683381      2.16685387
+H      2.41505438      2.76734542      1.36926940
+H      4.66296258      3.49939535      0.47515342
+H      5.36437701      2.54878133      1.82700349
+H      5.21687552      1.50339563     -0.97323200
+H      5.20860328      0.45217047      0.49017754 
+
+20
+-1934.6574217803131 12.624184 14.32771 -8.5908 -6.543 -9.922 1.0018 0.0968 3.306 9.16751 -3.05178 8.0236052068 12.2464319822 0.331937579
+C      1.40618633     -0.80005114      1.58465783
+C      2.42718238     -0.68773028      0.45164939
+C      2.99243469      0.72339555      0.30366521
+N      3.99267254      0.79250236     -0.76687120
+C      4.53878118      2.11350144     -0.95636185
+C      5.77066424      2.47645893     -0.16040765
+C      5.87246264      2.22556377     -1.64928640
+H      1.01876384     -1.82470571      1.67316063
+H      0.54733103     -0.13176481      1.41901399
+H      1.85516413     -0.52926520      2.55254066
+H      1.95520235     -0.99007925     -0.50003147
+H      3.26320377     -1.38555989      0.61843554
+H      3.49016632      1.02268957      1.24198295
+H      2.15528785      1.44159894      0.15204239
+H      3.57271769      0.46836816     -1.64330955
+H      3.82773363      2.93596212     -1.13466979
+H      6.16449959      1.70180023      0.49796669
+H      5.86917978      3.49922453      0.20402171
+H      6.03882948      3.07566920     -2.31115154
+H      6.33741654      1.29067147     -1.96240754 
+
+18
+-1789.48564084237 12.668118 13.91178 -8.7311 -6.6892 -9.594 1.6596 0.0509 1.339 9.08539 -0.77489 6.7192476896 6.7192476896 0.442434987
+C      1.08586413      0.44420578      0.22607133
+C      2.40800511      0.53075732      0.04125943
+C      3.29316315      1.55488174      0.68829306
+N      4.06099079      2.29619550     -0.32236943
+C      4.97237836      3.25911167      0.24536317
+C      6.36689503      2.78214373      0.57778693
+C      6.13729634      3.70054028     -0.60277489
+H      0.48972580     -0.32882367     -0.26113117
+H      0.55632185      1.14174507      0.88101862
+H      2.91441846     -0.17249003     -0.62918433
+H      4.02856614      1.04487232      1.33615848
+H      2.68680068      2.21038480      1.34988678
+H      3.41054467      2.76519930     -0.95924205
+H      4.55210360      4.01615863      0.92609330
+H      6.58646546      1.73790668      0.35363611
+H      6.85386459      3.18501716      1.46604357
+H      6.46330061      4.73814164     -0.52848049
+H      6.21098522      3.25659207     -1.59560840 
+
+14
+-1533.2818521549923 11.332908 12.25573 -9.8423 -7.8312 -9.714 0.1729 -1.5466 -0.134 9.18453 0.6203 5.048647927 6.3591303526 0.254493048
+C      1.86964774     -0.58932346     -1.21148219
+C      2.24070723      0.02202054     -0.06965260
+C      1.67205008     -0.40908306      1.17742757
+N      1.23826811     -0.73452169      2.21356683
+C      3.21559965      1.14973956      0.03771773
+C      3.57441260      2.00995570     -1.14533525
+C      2.71978002      2.58418987     -0.04175837
+H      2.30490470     -0.29714744     -2.16691462
+H      1.13122238     -1.38977639     -1.20897042
+H      4.00418423      0.97636958      0.77420973
+H      3.08967236      1.81055079     -2.10094065
+H      4.61021983      2.33947251     -1.22625411
+H      3.15752441      3.30928871      0.64392652
+H      1.66022666      2.72980476     -0.25336016 
+
+16
+-1631.5598468029314 12.105779 13.55908 -8.9348 -6.8624 -9.719 0.9954 0.0324 2.342 9.42809 -1.92561 4.4012798252 10.5602223822 0.300473573
+C      0.96034363      0.04839303      0.23472791
+C      2.13464895      0.13976382     -0.05695023
+C      3.55227085      0.21893686     -0.39026595
+N      4.33079215      0.87828494      0.67166513
+C      5.74871642      0.84498098      0.41168071
+C      6.33316098      1.98745871     -0.38690919
+C      6.60259952      1.87916756      1.09749397
+H     -0.07854920     -0.02094405      0.48516267
+H      3.67924200      0.80543326     -1.31637521
+H      3.91787041     -0.80606589     -0.62113209
+H      4.12349613      0.42700835      1.56671598
+H      6.21194546     -0.14083888      0.24686485
+H      5.63567622      2.76283137     -0.70497890
+H      7.14441012      1.76978816     -1.08173430
+H      7.59852102      1.58313586      1.42708691
+H      6.08384536      2.58405591      1.74715775 
+
+20
+-1935.8162989701561 12.530916 13.88069 -8.5387 -6.544 -9.892 0.9761 0.0737 3.297 9.14017 -3.00272 7.9659269196 11.5883390914 0.248038026
+C      0.84851728      0.01860240     -0.03071819
+C      2.34902766     -0.23868618     -0.16676208
+C      2.63389566     -1.29948674     -1.23277449
+N      3.01784604      1.03374134     -0.50233859
+C      4.45454702      1.02100337     -0.36013169
+C      5.30661812      0.82495253     -1.59464739
+C      5.21626068      2.18499257     -0.94108352
+H      0.63836542      0.75433653      0.76127316
+H      0.31603565     -0.90804708      0.22452744
+H      0.43982796      0.40598343     -0.97623032
+H      2.72260772     -0.62953589      0.80742149
+H      2.26199323     -0.96285315     -2.21259635
+H      2.13528226     -2.24477196     -0.97381205
+H      3.70996139     -1.49779081     -1.32416686
+H      2.63616406      1.76729321      0.10163658
+H      4.86034565      0.59499139      0.57156269
+H      4.77157792      0.69280865     -2.53481928
+H      6.23517141      0.26131001     -1.49706843
+H      6.07983836      2.56048184     -0.39203183
+H      4.62606651      2.94322455     -1.45654027 
+
+20
+-1939.255246766872 12.302294 13.53225 -9.0367 -6.9138 -10.5 0.8795 -0.054 2.877 9.81006 -2.49675 8.3044830912 11.3670612772 0.136341229
+C      1.12090525      0.28579029      0.09476332
+C      2.62681034     -0.04644012      0.00272658
+C      3.02589652     -0.91098878      1.20728000
+N      2.96491341     -0.82384788     -1.21669580
+C      3.40153621      1.27329943     -0.08482070
+C      3.93301147      2.01722507      1.11792381
+C      4.88837764      1.37641987      0.13566228
+H      0.79550467      0.85743739     -0.78815052
+H      0.89391130      0.88623590      0.98962058
+H      0.52104713     -0.63668395      0.14242852
+H      2.75905682     -0.43088153      2.15868238
+H      4.10088531     -1.13476285      1.20085579
+H      2.49029185     -1.87150255      1.16267039
+H      2.77692549     -0.25065717     -2.04497813
+H      2.33572558     -1.63005307     -1.28603977
+H      3.01319858      1.91985696     -0.88033503
+H      3.83764776      1.55082402      2.09923122
+H      3.84605363      3.10443180      1.12847223
+H      5.45908831      2.02315957     -0.53165421
+H      5.42051272      0.47969760      0.45402706 
+
+16
+-1676.5750029308879 11.163266 12.67666 -10.8048 -8.6545 -11.507 0.8406 -0.1781 1.502 11.09711 -1.07715 5.371569464 11.8310664836 0.267422327
+C      1.09591533      0.25321557      0.07768729
+C      2.60142363     -0.01070296     -0.11883732
+C      2.83079638     -0.82103453     -1.32293810
+N      3.00341414     -1.45717699     -2.28569315
+C      3.41683220      1.27651615     -0.17977623
+C      3.86839886      1.92273986      1.10792419
+C      4.87737853      1.26885318      0.19149221
+H      0.94333433      0.82451027      1.00271910
+H      0.53379491     -0.68695161      0.14454036
+H      0.69336697      0.83568884     -0.76199847
+H      2.97062315     -0.61022063      0.73299804
+H      3.12226442      1.94824445     -0.99001420
+H      3.62846247      1.41433413      2.04372761
+H      3.85043127      3.01097169      1.16886079
+H      5.55331141      1.90650298     -0.37765883
+H      5.31307198      0.32016958      0.50873670 
+
+20
+-1938.446164680446 12.374738 13.88106 -9.182 -6.8967 -10.57 0.9275 -0.0017 3.027 9.93352 -2.67467 8.677718147 10.8240025972 0.212497641
+C      2.07869246     -0.02942702      0.67383753
+C      2.80447369     -0.17263792     -0.66903645
+C      1.98236533     -0.99335947     -1.67883941
+N      1.75842304     -2.36864640     -1.20212542
+C      3.16402717      1.18287561     -1.25339702
+C      4.40817560      1.90755065     -0.79840588
+C      4.33406617      1.33492845     -2.19717739
+H      2.72115714      0.45721540      1.42127938
+H      1.76938753     -1.01236184      1.05210348
+H      1.17365309      0.58827269      0.55649696
+H      3.75340354     -0.71980519     -0.49638990
+H      2.48467149     -0.93643313     -2.66515302
+H      0.99354697     -0.51725163     -1.79869639
+H      2.63476058     -2.89626937     -1.25109404
+H      1.10402676     -2.85085871     -1.82177534
+H      2.29878317      1.82124162     -1.46427251
+H      5.05078235      1.39855987     -0.07741192
+H      4.36856187      2.99095805     -0.68127677
+H      4.24367676      2.02777161     -3.03464689
+H      4.92987530      0.44491672     -2.41072899 
+
+20
+-1938.5334458849393 12.345647 13.70979 -9.0299 -6.8614 -10.489 0.9432 0.0427 3.007 9.82122 -2.67538 8.4540722002 11.9077022302 0.151135646
+C      3.09257873     -0.61102102     -1.14918103
+C      2.54466433     -0.00594527      0.14614485
+C      3.10512247      1.38595355      0.50971685
+N      2.43750481      2.00345149      1.67473146
+C      4.60289756      1.35311471      0.75662873
+C      5.58526306      1.65411887     -0.35423815
+C      5.38793360      2.64108605      0.77044351
+H      2.60654743     -1.57191219     -1.37136020
+H      4.17525255     -0.78763746     -1.08748082
+H      2.91283010      0.05690978     -2.00615479
+H      2.73891657     -0.69024690      0.99216469
+H      1.44664571      0.08072282      0.06987646
+H      2.92274106      2.06129685     -0.34900032
+H      2.66706763      1.46538882      2.51678882
+H      1.42212106      1.92558020      1.56423672
+H      4.91898175      0.58974037      1.47736420
+H      5.17747589      1.91065953     -1.33337810
+H      6.51537698      1.08530424     -0.38948601
+H      6.18500441      2.75373462      1.50563494
+H      4.83082430      3.55534095      0.56241818 
+
+13
+-1400.2742064444928 10.793106 11.6028 -10.0655 -7.9281 -9.963 0.0451 -1.6651 -0.208 9.43454 0.6984 5.0393985714 6.518006013 0.215198381
+C      1.88800931     -0.61909480     -1.23643517
+C      2.18234682      0.06975216     -0.11929013
+C      1.50630604     -0.21829008      1.11234939
+N      0.99591899     -0.43284468      2.14241438
+C      3.22492852      1.14664080     -0.03896948
+C      3.54059734      2.04143184     -1.18252808
+N      2.72309340      2.53771959     -0.05592295
+H      2.41630469     -0.41443832     -2.16743133
+H      1.12225590     -1.39375572     -1.24110215
+H      4.04342676      0.91690169      0.65174210
+H      2.99228936      1.93942782     -2.12128046
+H      4.57446659      2.38022414     -1.28459651
+H      3.29050629      3.11560556      0.57209038 
+
+19
+-1808.7366844710316 11.805043 12.87084 -9.075 -6.9326 -10.508 0.8374 -0.1141 2.813 9.83521 -2.44304 8.2626378162 11.7021458408 0.097668922
+C      1.12244833      0.23625772      0.12113996
+C      2.62515060     -0.08882899     -0.00726860
+C      3.08231834     -0.97276832      1.15745019
+N      2.94887419     -0.81009984     -1.26331874
+C      3.39627570      1.23384649     -0.06437843
+C      3.75853353      2.05818358      1.12028971
+N      4.79010523      1.27387635      0.40499731
+H      0.78334515      0.86576741     -0.71689030
+H      0.90133885      0.77372540      1.05652215
+H      0.52688439     -0.68931410      0.11049614
+H      2.85398815     -0.51103044      2.12801862
+H      4.16256528     -1.15009921      1.09393331
+H      2.55542680     -1.93854350      1.12180081
+H      2.56167621     -0.29508846     -2.06067030
+H      2.47059245     -1.71620815     -1.26038646
+H      3.16436491      1.80876940     -0.97132254
+H      3.54204520      1.69936430      2.12934523
+H      3.73800619      3.14586302      1.01033595
+H      5.34864051      1.88225735     -0.19993401 
+
+15
+-1545.4075315143405 10.68415 12.0202 -9.9654 -7.8359 -11.187 0.7519 -0.2486 1.473 10.59988 -1.06344 5.3703172054 11.1368936668 0.209403284
+C      1.08949539      0.16013027      0.04768513
+C      2.60281750     -0.07422274     -0.11692591
+C      2.87935004     -0.86903666     -1.31955212
+N      3.08289135     -1.48400248     -2.28984260
+C      3.38389227      1.23577014     -0.16778186
+C      3.79429628      1.92873987      1.08304329
+N      4.78207021      1.17464509      0.28096178
+H      0.90171898      0.71463511      0.97658020
+H      0.54745576     -0.79267752      0.09004113
+H      0.69056437      0.74316514     -0.79346324
+H      2.98740022     -0.65116937      0.74128660
+H      3.14355376      1.86854659     -1.02869248
+H      3.56272313      1.47923997      2.05244901
+H      3.81863788      3.02109723      1.07453236
+H      5.36019287      1.81447936     -0.27144128 
+
+19
+-1808.126114924981 11.882347 13.22817 -9.1263 -6.8536 -10.562 0.9355 0.0187 2.955 9.93947 -2.61053 8.667675281 11.5675342406 0.116818074
+C      2.01558544     -0.01294107      0.63231443
+C      2.76897765     -0.09542665     -0.69940744
+C      2.13434046     -1.11145900     -1.66417366
+N      2.19990491     -2.47803745     -1.11788530
+C      2.86156003      1.26467024     -1.36274841
+C      3.96604629      2.21624966     -1.06787098
+N      3.95740260      1.45592578     -2.34074186
+H      2.54040397      0.63469975      1.34942912
+H      1.90771975     -1.01401353      1.06943589
+H      1.00425991      0.39964890      0.48362960
+H      3.80696815     -0.42653345     -0.50779365
+H      2.62431921     -0.99951191     -2.65087856
+H      1.06807719     -0.85690753     -1.79840453
+H      3.16913728     -2.80762219     -1.14721997
+H      1.66907286     -3.11550154     -1.71515835
+H      1.89257575      1.72041296     -1.60555465
+H      4.75506194      1.91962789     -0.37142035
+H      3.74932256      3.28725330     -1.08913117
+H      3.64284404      2.06823584     -3.09993018 
+
+19
+-1809.1059496027083 11.792626 13.01696 -8.8269 -6.6612 -10.226 0.8806 -0.0642 2.963 9.67994 -2.62665 8.1867707828 11.8776232266 0.211845513
+C      3.24507861     -0.85441948     -1.14722759
+C      2.73593808     -0.32247416      0.19619683
+C      3.24652227      1.08484640      0.58238343
+N      2.59245582      1.65036987      1.76901653
+C      4.75504838      1.08158206      0.80020852
+C      5.44590403      2.06509600      1.67332790
+N      5.20929433      0.67955917      2.15331117
+H      2.75671445     -1.80497248     -1.40521992
+H      4.32921604     -1.04006374     -1.13717545
+H      3.03594585     -0.14360571     -1.96238915
+H      2.99898073     -1.02045399      1.00986827
+H      1.63358120     -0.27928616      0.16814784
+H      3.04369145      1.76608115     -0.26711575
+H      2.87579380      1.09112179      2.58134041
+H      1.57882150      1.55842976      1.67910710
+H      5.33292015      0.70779707     -0.05043873
+H      4.84725846      2.82086383      2.18381234
+H      6.46412442      2.35820274      1.40479395
+H      6.07328044      0.13425588      2.08422230 
+
+22
+-2080.3955792822376 13.329403 15.33093 -8.5241 -6.4419 -10.033 0.9726 0.0516 3.226 9.27203 -3.07769 8.120215098 11.3501247896 0.257726804
+C      0.69021679      1.06900093     -1.20011200
+C      2.01889005      0.99505630     -0.44643159
+C      2.83388883      2.28200315     -0.55989736
+N      4.07727541      2.20466572      0.20734175
+C      4.90528223      3.40423417      0.08107538
+C      6.20548330      3.27973508      0.87334315
+C      7.07365279      4.53564843      0.78531796
+H      0.12387973      0.13164600     -1.10751797
+H      0.84705999      1.25902002     -2.27311245
+H      0.05645298      1.88010953     -0.80939625
+H      2.61766103      0.15235561     -0.83619764
+H      1.84423921      0.78346324      0.62058770
+H      2.24381656      3.12433683     -0.15544464
+H      3.00675851      2.51565052     -1.63661442
+H      4.61668367      1.39636446     -0.12037969
+H      4.32031131      4.25626679      0.47226126
+H      5.14134524      3.65407116     -0.97992892
+H      6.77538956      2.41045359      0.49908762
+H      5.95619254      3.05740261      1.92318374
+H      7.35398386      4.75809341     -0.25582766
+H      8.00186412      4.42279768      1.36294058
+H      6.54170230      5.41515479      1.17999147 
+
+18
+-1790.0670420758677 13.372123 14.35453 -8.7773 -6.7393 -9.523 1.4854 -0.1948 1.229 9.25069 -0.97623 6.6585565426 6.6585565426 0.575197871
+C      1.50804899     -0.36886022     -1.11224394
+C      2.32870401      0.10192591     -0.16681816
+C      2.97809999      1.45413573     -0.20261650
+N      4.43483638      1.33910655     -0.07410950
+C      5.11362014      2.63925959     -0.09167819
+C      6.59635141      2.47285458      0.06810882
+C      7.50757629      2.94676550     -0.78863446
+H      1.05266663     -1.35724234     -1.03504585
+H      1.25836704      0.22545724     -1.99512246
+H      2.57429338     -0.51573052      0.70360175
+H      2.62440822      2.04832414      0.66052572
+H      2.65612837      1.99987365     -1.11648098
+H      4.79196387      0.76779775     -0.84550092
+H      4.72120563      3.21925659      0.76444979
+H      4.90002871      3.23754253     -1.00449375
+H      6.91491122      1.91243823      0.95339917
+H      7.21233305      3.49904677     -1.68488477
+H      8.57686668      2.80905832     -0.62181577 
+
+16
+-1631.9252748194735 12.825955 14.02051 -8.9856 -6.9151 -9.631 1.3889 -0.1907 1.258 9.1474 -0.69973 4.4022841118 10.8837018562 0.472355104
+C      1.04175067     -0.22652901     -1.00103647
+C      2.07055635     -0.13526994     -0.15133562
+C      2.91390340      1.09250746      0.03027952
+N      4.33362848      0.78320959     -0.17321602
+C      5.18530475      1.96658946      0.01198354
+C      6.57545521      1.70070313     -0.34017613
+C      7.72664989      1.48997974     -0.66022699
+H      0.45145640     -1.13981142     -1.08718957
+H      0.75039115      0.61556600     -1.63436454
+H      2.35243011     -0.99479263      0.46582320
+H      2.80704207      1.45290947      1.07067865
+H      2.53956191      1.90763033     -0.62765068
+H      4.46875758      0.42222879     -1.12174080
+H      5.13092551      2.26314382      1.07473468
+H      4.83692973      2.84828681     -0.57213880
+H      8.74526678      1.29928841     -0.93025397 
+
+14
+-1473.5220163101621 12.274429 13.65091 -9.1962 -7.0951 -9.797 0.982 -0.2126 2.12 9.7282 -1.94959 4.4044538668 10.867620872 0.705482667
+C      1.07803853     -0.21456414     -0.56719564
+C      2.27001406     -0.17831184     -0.34545595
+C      3.69636742     -0.12274391     -0.05106343
+N      4.26711557      1.19586236     -0.36050129
+C      5.65975793      1.28928482      0.10077674
+C      6.18660691      2.64115722     -0.03728793
+C      6.61817043      3.77144389     -0.12403999
+H      0.02691055     -0.24555138     -0.76972455
+H      4.22292145     -0.87636887     -0.66377770
+H      3.85124481     -0.42418413      1.00995384
+H      3.71034081      1.92087594      0.09981458
+H      6.26970304      0.59816637     -0.50825232
+H      5.78876018      0.96543279      1.15860893
+H      7.00377830      4.76648087     -0.21391528 
+
+20
+-1942.591979597197 12.970755 13.86153 -9.1419 -7.0023 -9.5 0.8801 -0.0843 1.339 8.96971 -0.76304 6.639946244 6.639946244 0.441939228
+C      0.87145770     -0.16953905     -0.06687243
+C      2.40796170     -0.19746939      0.03639522
+C      2.83898400     -0.99980816      1.27238071
+N      3.04742228     -0.83751760     -1.13804102
+C      2.97374490      1.24948748      0.08698201
+C      2.52533119      2.09008217      1.24524769
+C      1.83813355      3.23445646      1.14469733
+H      0.55271116      0.37124795     -0.97178264
+H      0.41073186      0.32968544      0.79885551
+H      0.47265770     -1.19404400     -0.12478988
+H      2.41050068     -0.58403553      2.19450974
+H      3.93462018     -1.01284065      1.35920413
+H      2.49248677     -2.04200957      1.19036227
+H      2.74705174     -0.35347231     -1.99062125
+H      2.69610717     -1.79647576     -1.22700750
+H      2.70692702      1.76033712     -0.85486895
+H      4.07342681      1.15544690      0.09872613
+H      2.80634213      1.73619814      2.24396882
+H      1.54134261      3.63690152      0.17208944
+H      1.55459886      3.81105885      2.02671466 
+
+18
+-1786.281789943157 12.463871 13.56934 -9.1758 -7.0432 -9.746 0.7681 -0.2116 2.373 9.32294 -2.01255 4.3600544802 10.6210375152 0.418482384
+C      0.78482070      0.27054880      0.01225828
+C      2.30611465      0.01875554     -0.00379784
+C      2.72445765     -0.76025196      1.24882058
+N      2.74930161     -0.74997149     -1.18311053
+C      3.01815426      1.40359802     -0.04706146
+C      4.47226373      1.36464846      0.02816667
+C      5.68341893      1.36265961      0.10912169
+H      0.47074376      0.83437789     -0.88018989
+H      0.46969398      0.83999426      0.90102351
+H      0.24141853     -0.68607106      0.01582126
+H      2.45387675     -0.21251531      2.16288533
+H      3.80885395     -0.93058405      1.24636003
+H      2.21658817     -1.73657877      1.27955506
+H      2.41417348     -0.29771074     -2.03916918
+H      2.31773299     -1.67829817     -1.16367150
+H      2.63224906      2.02084420      0.78166574
+H      2.71858895      1.91962011     -0.97678046
+H      6.75197885      1.34736464      0.17186270 
+
+22
+-2082.282800901583 13.103363 14.4574 -8.3317 -6.3663 -9.823 0.8737 -0.0319 3.248 9.03195 -2.97286 7.8421268986 11.6271467094 0.144180622
+C      2.66608755     -1.56145055     -0.20158059
+C      3.95802081     -0.76931128     -0.41238520
+C      4.17945530     -0.47717235     -1.89921495
+N      3.85720672      0.48361559      0.35404264
+C      5.06557814      1.32000855      0.46334141
+C      4.69774876      2.58703607      1.23878917
+C      6.28566866      0.62478120      1.09119381
+H      2.51190953     -1.79397847      0.86373883
+H      2.69787695     -2.51356768     -0.74972479
+H      1.79991070     -0.98126178     -0.55370060
+H      4.80045552     -1.40649834     -0.06382450
+H      3.36653148      0.15613469     -2.28582188
+H      4.19935741     -1.41468268     -2.47322331
+H      5.13204391      0.03978547     -2.08141674
+H      3.53418301      0.26113884      1.30111824
+H      5.33531945      1.62406040     -0.56287522
+H      4.40620924      2.33865273      2.27287886
+H      3.85211512      3.09922063      0.76049720
+H      5.54925134      3.28008165      1.29223033
+H      6.06964835      0.32123212      2.12864382
+H      7.15350213      1.30117001      1.11258276
+H      6.58178993     -0.27305481      0.53016071 
+
+20
+-1936.5031640253496 13.287891 14.45762 -8.6128 -6.6122 -9.578 1.1812 -0.004 1.352 9.06789 -0.79221 6.7163712144 6.7163712144 0.437654742
+C      0.80480331     -0.59426106      0.80509285
+C      2.11209329     -0.61001606      0.01232952
+C      2.26005613     -1.91940610     -0.76804685
+N      2.12240423      0.54686485     -0.90009591
+C      3.43800244      0.86349953     -1.46936735
+C      3.36430188      2.10144536     -2.31401148
+C      4.14219007      3.17796422     -2.15496605
+H      0.70524624      0.33163317      1.39257386
+H      0.76296605     -1.44044667      1.50486827
+H     -0.05623681     -0.66224772      0.12323458
+H      2.95723373     -0.54750937      0.73706569
+H      1.44033916     -2.02107773     -1.49507075
+H      2.23140145     -2.77812640     -0.08201134
+H      3.21164286     -1.96907680     -1.31524867
+H      1.79995350      1.36927834     -0.38171662
+H      3.74308611      0.01857691     -2.11129713
+H      4.23238530      0.98051062     -0.69867332
+H      2.60207231      2.08772709     -3.10066997
+H      4.90236394      3.21940120     -1.37010966
+H      4.05339481      4.04810661     -2.80719964 
+
+18
+-1778.6495865049249 12.73498 14.11733 -8.8095 -6.781 -9.711 0.9123 -0.0651 2.348 9.41307 -1.93801 4.3979817976 10.855904195 0.871839405
+C      1.00462837     -1.00861933      0.55829330
+C      2.33656844     -0.74903949     -0.14511285
+C      3.10380558     -2.05595748     -0.36711920
+N      2.06453080     -0.08172470     -1.42982598
+C      3.26002805      0.50920334     -2.05069673
+C      2.91138480      1.41583785     -3.13881803
+C      2.61558517      2.19015438     -4.02507882
+H      0.46338065     -0.06894619      0.74781886
+H      1.16678642     -1.50253382      1.52624081
+H      0.36493843     -1.65486644     -0.06098632
+H      2.95718680     -0.09683049      0.51315314
+H      2.52743744     -2.72594984     -1.02257291
+H      3.27635544     -2.56407757      0.59243759
+H      4.08691687     -1.88661790     -0.82853275
+H      1.38651425      0.66918824     -1.27570586
+H      3.89314570     -0.29903115     -2.45379449
+H      3.89155116      1.06389172     -1.31950208
+H      2.35760564      2.86453887     -4.81591770 
+
+16
+-1680.0651526783217 11.679955 12.71136 -9.8303 -7.7556 -9.6 1.1881 -0.4421 0.803 8.958 -0.26671 5.3459291592 6.3239307272 0.341364414
+C      0.98394858     -0.21434844     -0.17127404
+C      2.49135100      0.07030879      0.02486678
+C      3.28748435     -0.76704697     -0.88283829
+N      3.91166336     -1.43076153     -1.61189154
+C      2.85140503      1.54799736     -0.14601999
+C      2.69340719      2.14005695     -1.51874286
+C      3.27478385      2.25422142      0.91107195
+H      0.40437523      0.40174340      0.52823238
+H      0.76659187     -1.27248152      0.02259158
+H      0.66374123      0.01600399     -1.19524144
+H      2.77006762     -0.22821457      1.04925705
+H      1.64939572      2.08669112     -1.86542026
+H      3.30189358      1.59101684     -2.25450666
+H      3.00165001      3.19267403     -1.52973733
+H      3.39657619      1.79893389      1.89586143
+H      3.51463519      3.31513524      0.82152124 
+
+18
+-1803.7125522725119 14.21269 14.15865 -8.2882 -6.3268 -8.107 0.6541 -0.8163 0.4 7.5748 0.21335 4.9015633352 4.9015633352 0.792418838
+C      1.17857854      0.15905866      0.11432668
+C      2.60445616     -0.26890366     -0.09321886
+C      2.78458541     -1.54194688     -0.88931233
+N      2.20700229     -2.69103043     -0.16012959
+C      3.63569971      0.45260836      0.41455830
+C      5.05497993      0.16703779      0.31697710
+C      6.01500975      0.95307684      0.84501896
+H      1.10497817      1.02759793      0.78135972
+H      0.58916866     -0.67017463      0.53301507
+H      0.70806691      0.42165675     -0.84882943
+H      3.84270531     -1.67728310     -1.17498677
+H      2.21652808     -1.44038719     -1.83124422
+H      2.78228919     -2.89043779      0.66269233
+H      2.24311957     -3.52638576     -0.74879550
+H      3.38497435      1.36374465      0.97167736
+H      5.36184476     -0.74020917     -0.21212241
+H      5.76450462      1.87076751      1.38301666
+H      7.07183858      0.70228013      0.75371695 
+
+16
+-1646.068723612376 13.241942 13.63912 -8.6051 -6.5458 -8.299 0.7132 -0.7695 0.648 7.84381 -0.02428 4.0488496202 11.3158426606 0.550261683
+C      0.87127047      0.15653312     -0.11978458
+C      2.36555631      0.03715522     -0.10985680
+C      2.94488513     -1.35092470     -0.25209002
+N      2.29159057     -2.12226156     -1.32738245
+C      3.15485029      1.12656600      0.05766148
+C      4.57169112      1.11852908      0.07859200
+C      5.78955865      1.16177216      0.10853407
+H      0.54418183      1.19293135      0.03263804
+H      0.41853267     -0.46756196      0.66992447
+H      0.46685237     -0.19822828     -1.08105584
+H      2.88159175     -1.84256121      0.74374930
+H      4.01445191     -1.26589737     -0.48919838
+H      1.38992340     -2.48572420     -1.00870133
+H      2.86167659     -2.94216455     -1.54314392
+H      2.68109791      2.10387078      0.19823989
+H      6.85942901      1.19235612      0.12975407 
+
+20
+-1941.9967158306138 12.933365 13.96721 -9.1508 -6.9454 -9.116 0.8829 -0.0873 1.448 8.47047 -0.79734 6.3721612812 6.3721612812 0.415534641
+C      1.15136861     -0.15698697      0.28422092
+C      2.43108468      0.34911615     -0.40154252
+C      2.90368741     -0.63028627     -1.50002335
+N      3.27989026     -1.92686253     -0.91456769
+C      2.29046655      1.76242464     -0.94465001
+C      1.24722108      2.00988682     -2.00501668
+C      3.07448009      2.75495686     -0.49450871
+H      0.86291845      0.50050022      1.11665722
+H      1.31615340     -1.17151036      0.67008240
+H      0.30867688     -0.20323070     -0.42281057
+H      3.23226420      0.38089492      0.35990815
+H      3.71786292     -0.14470859     -2.07481975
+H      2.07610535     -0.81447798     -2.20525223
+H      4.15672718     -1.82653662     -0.39570022
+H      3.46706447     -2.60283241     -1.65812836
+H      0.23604508      1.77765754     -1.63584701
+H      1.41276050      1.37647929     -2.89107516
+H      1.25641887      3.05782286     -2.33199654
+H      3.82860532      2.57896700      0.27591561
+H      2.98505870      3.77356611     -0.87853552 
+
+20
+-1939.8918145229509 13.034013 14.15254 -9.0993 -6.8321 -9.477 1.0243 -0.0092 1.335 8.95568 -0.75777 6.631453203 6.631453203 0.446945581
+C      1.40955908     -0.45205472      0.99971865
+C      2.23272777     -0.33177280     -0.28628226
+C      2.03304868     -1.55026383     -1.20146048
+N      2.50841515     -2.78709027     -0.55654516
+C      1.90549670      0.98317541     -1.02881143
+C      2.82189350      1.30653664     -2.17294738
+C      2.43830386      1.57752662     -3.42632979
+H      1.64430262      0.36102560      1.70263610
+H      1.60491333     -1.41342156      1.49242248
+H      0.33142195     -0.40067757      0.77439895
+H      3.30528084     -0.29915834     -0.00958323
+H      2.51053360     -1.34537527     -2.17919319
+H      0.95214181     -1.66871695     -1.39512065
+H      3.53175883     -2.77978700     -0.51750567
+H      2.25579398     -3.59476928     -1.12997657
+H      1.96436902      1.80416330     -0.29116096
+H      0.85957518      0.95824508     -1.38195526
+H      3.89259521      1.33379340     -1.93226481
+H      1.38314128      1.56385165     -3.71313954
+H      3.16006760      1.82631989     -4.20588981 
+
+18
+-1784.7001442755848 12.500978 13.78503 -9.2271 -6.9482 -9.777 0.922 -0.0117 2.314 9.38608 -1.90461 4.3510902924 10.4603392606 0.356163095
+C      0.98130448     -0.06672339      0.24070744
+C      2.45395659     -0.04914034     -0.17527843
+C      2.68880229     -0.82986896     -1.47760012
+N      2.39022074     -2.26037709     -1.29513461
+C      2.96074696      1.40804628     -0.30641335
+C      4.39977098      1.53390317     -0.50611493
+C      5.60130124      1.63065336     -0.65616669
+H      0.83692367      0.38559147      1.23297747
+H      0.61001667     -1.09936688      0.26659811
+H      0.36621751      0.49639668     -0.48031631
+H      3.05334049     -0.53310404      0.61772185
+H      3.71845156     -0.62939493     -1.83036701
+H      2.00218667     -0.43981334     -2.24955014
+H      3.13288552     -2.69565562     -0.74071886
+H      2.40049727     -2.73495629     -2.20010984
+H      2.67936609      1.96642232      0.60225455
+H      2.43175713      1.90145045     -1.14192817
+H      6.65962414      1.72297715     -0.78952094 
+
+20
+-1943.0759348180475 13.175505 14.36102 -8.9874 -6.8544 -9.033 0.9249 0.0379 1.472 8.49181 -0.82922 6.3231124196 6.3231124196 0.407813054
+C      3.34014794     -1.26789707      0.02688137
+C      2.59595244     -0.12378770      0.71838905
+C      3.05867544      1.29063598      0.29220072
+N      2.21225902      2.37987425      0.82983197
+C      4.48828872      1.54108825      0.69254805
+C      5.50882246      1.74922773     -0.14834537
+C      6.93148873      1.98449858      0.25803599
+H      2.95512873     -2.24561941      0.35016534
+H      4.41655325     -1.23650070      0.24853535
+H      3.22609291     -1.21003102     -1.06698469
+H      2.70073988     -0.21128256      1.81495421
+H      1.51585860     -0.20439066      0.50436978
+H      2.99450860      1.35322121     -0.80966721
+H      2.30853157      2.40783417      1.85060798
+H      1.22757255      2.15825351      0.65090760
+H      4.68461605      1.53550624      1.77497479
+H      5.30278359      1.75645751     -1.22593199
+H      7.05050671      1.95697421      1.35026180
+H      7.28933064      2.96276780     -0.10146342
+H      7.60226217      1.22751968     -0.17965132 
+
+22
+-2084.746993136327 12.883728 14.22586 -8.9855 -6.8679 -10.451 0.8602 -0.0652 2.963 9.77869 -2.6555 8.4303536784 11.1009377268 0.130681685
+C      3.27287724     -1.10449623     -0.79228111
+C      2.69996272     -0.17827390      0.28492438
+C      3.25154975      1.26428917      0.28256443
+N      2.54864468      2.15679065      1.22571584
+C      4.78297517      1.35330109      0.51275489
+C      5.30752865      2.75383597      0.17259586
+C      5.20085490      0.94694228      1.93329598
+H      2.73945378     -2.06580706     -0.80943696
+H      4.33743842     -1.32447368     -0.62753600
+H      3.17734154     -0.65544259     -1.79350788
+H      2.85106354     -0.62572158      1.28336953
+H      1.60644124     -0.10888719      0.15146025
+H      3.06701593      1.68103738     -0.72572733
+H      2.53038297      1.72541185      2.15486886
+H      1.56955146      2.24549407      0.94383395
+H      5.24985157      0.64237275     -0.19083777
+H      4.83379579      3.50840584      0.81642860
+H      5.08589256      3.01721593     -0.87293165
+H      6.39786225      2.81022226      0.30963485
+H      4.80454886      1.65232203      2.68047553
+H      6.29661387      0.95949899      2.02830623
+H      4.86104311     -0.06528802      2.19880955 
+
+20
+-1942.5807453347188 12.810639 13.82308 -9.117 -6.9965 -9.161 0.9658 -0.0931 1.452 8.52221 -0.7986 6.3980247608 6.3980247608 0.372321297
+C      3.14929904     -1.73840033     -0.08640839
+C      2.71712721     -0.40225121      0.52417558
+C      3.66467701      0.77328274      0.22062772
+N      3.12273569      2.10354586      0.57748232
+C      5.05684731      0.68063759      0.84263553
+C      6.10930731      1.51118926      0.15829958
+C      5.32394488     -0.04311608      1.94015457
+H      2.41333968     -2.52808922      0.12249728
+H      4.12107385     -2.06771095      0.30659521
+H      3.24428409     -1.65643214     -1.18064084
+H      2.58353143     -0.50006738      1.61572937
+H      1.72467469     -0.12820057      0.12652323
+H      3.81118015      0.79590468     -0.87730869
+H      2.93907588      2.12741688      1.58530059
+H      2.22086599      2.24211025      0.11323018
+H      5.75541788      2.54573814      0.03651714
+H      6.31132697      1.11967539     -0.85281449
+H      7.05318453      1.51707197      0.71896897
+H      4.57026327     -0.65465258      2.43882960
+H      6.32433314     -0.04675232      2.37828554 
+
+18
+-1789.755043735254 12.936459 14.81851 -9.0859 -6.8998 -9.142 0.8464 -0.0987 2.452 8.71239 -2.01246 4.1577961184 10.2278903078 0.754878128
+C      0.96528428     -0.13919182     -0.04787104
+C      2.48460590     -0.02619047      0.07447732
+C      3.00348578      1.43653369      0.03630882
+N      2.51956684      2.32001166      1.11820179
+C      4.46909140      1.45120166      0.01525255
+C      5.68472249      1.42310955      0.01264970
+C      7.14036891      1.41755980     -0.00288726
+H      0.64884867     -1.19164596     -0.04561736
+H      0.60420333      0.31426716     -0.98436580
+H      0.44587056      0.35446847      0.78784066
+H      2.96681156     -0.58063406     -0.74688965
+H      2.83244341     -0.49106786      1.01233354
+H      2.64782567      1.88813389     -0.91039359
+H      2.85959368      1.96337716      2.01653163
+H      1.49757066      2.28491744      1.15325136
+H      7.54071141      2.44247730     -0.01512281
+H      7.52512258      0.89743441     -0.89304139
+H      7.54892287      0.90837799      0.88295153 
+
+20
+-1941.171505434301 13.019813 14.12523 -9.1082 -6.9504 -9.48 0.8995 -0.02 1.349 8.95274 -0.77313 6.6357431186 6.6357431186 0.438706779
+C      0.67581658      0.09911659      0.73545783
+C      2.20336849      0.03148185      0.75884185
+C      2.89826572      1.33406869      0.31901310
+N      2.62656858      2.51042303      1.16545844
+C      4.42897821      1.15943310      0.22584259
+C      4.88069579      0.18564364     -0.82082996
+C      5.66229860     -0.87980655     -0.60836270
+H      0.23123745     -0.86072680      1.03458376
+H      0.30348515      0.33629696     -0.27364073
+H      0.28570751      0.86403247      1.42469305
+H      2.54366866     -0.78755102      0.10357340
+H      2.55313560     -0.22495740      1.77586741
+H      2.52925489      1.59148383     -0.69217781
+H      2.92214599      2.31044766      2.12713073
+H      1.61936172      2.68234057      1.21216315
+H      4.82451699      0.85824472      1.21237754
+H      4.84626624      2.15638194      0.00394778
+H      4.54076151      0.39339061     -1.84341813
+H      6.02768491     -1.12685784      0.39209020
+H      5.96953141     -1.53635609     -1.42386149 
+
+18
+-1785.841011226138 12.48685 13.74657 -9.2768 -7.1153 -9.78 0.8506 -0.0983 2.336 9.38107 -1.92296 4.3512018798 10.509301332 0.669201634
+C      1.10447691     -0.38035435      0.43885759
+C      2.61751784     -0.16509799      0.48661069
+C      3.05859616      1.25325027      0.08372683
+N      2.57970282      2.34002837      0.95423340
+C      4.60074848      1.36991778      0.01067545
+C      5.22375513      0.49114513     -0.96923508
+C      5.72746189     -0.24256840     -1.79570164
+H      0.84204775     -1.41019663      0.71911459
+H      0.71046391     -0.20221343     -0.57388833
+H      0.57037351      0.28962175      1.13015932
+H      3.11327227     -0.88796040     -0.18160830
+H      2.99604254     -0.37245900      1.50467578
+H      2.66687584      1.46475457     -0.92708223
+H      2.82288393      2.13192072      1.92878772
+H      1.55893097      2.38593050      0.92275311
+H      5.02400311      1.15913731      1.00988022
+H      4.84857408      2.41850937     -0.21733428
+H      6.18126286     -0.88259558     -2.52427483 
+
+20
+-1934.2934241441174 13.013043 14.00216 -8.489 -6.4859 -9.402 1.522 0.0054 1.339 8.90617 -0.75195 6.5611407424 6.5611407424 0.387295876
+C      2.83915986     -0.89952053     -1.11254473
+C      2.62388075     -0.20587588      0.23318813
+C      3.23532795      1.20195875      0.31423224
+N      2.80474106      1.83843956      1.57814816
+C      3.14997594      3.25571076      1.69574447
+C      4.73732730      1.17420815      0.17108597
+C      5.45565156      1.92438290     -0.67377888
+H      2.39252298     -1.90363976     -1.11292527
+H      3.90777996     -1.00503329     -1.34897507
+H      2.37487438     -0.32788521     -1.93078020
+H      3.05363668     -0.82286522      1.04350059
+H      1.54912116     -0.11009559      0.45203518
+H      2.81424132      1.81680227     -0.50317797
+H      3.20915502      1.31977082      2.36372222
+H      2.59283624      3.82485293      0.93511071
+H      4.22567343      3.48755321      1.56914543
+H      2.82717986      3.61965466      2.68112875
+H      5.25872093      0.50552800      0.87009662
+H      4.97042954      2.59875815     -1.38492782
+H      6.54645407      1.88806534     -0.69360852 
+
+18
+-1778.3040272928297 12.471633 13.6731 -8.8102 -6.7846 -9.659 0.9783 0.0334 2.279 9.20588 -1.85416 4.323143848 10.615557334 0.373380153
+C      2.82485239     -0.49639014     -1.70900876
+C      2.44459527      0.00671846     -0.31750609
+C      3.00185730      1.40630233      0.01290748
+N      2.44937018      1.87112014      1.29793421
+C      2.80249188      3.25318481      1.63185571
+C      4.47492877      1.42530552     -0.02615791
+C      5.69002342      1.44454959      0.01444214
+H      2.39806499     -1.49206609     -1.89308395
+H      3.91570238     -0.56858642     -1.82398830
+H      2.44750652      0.17806201     -2.49301016
+H      2.80360558     -0.70010780      0.44957982
+H      1.35140134      0.07135288     -0.20934800
+H      2.63442286      2.10907788     -0.75913566
+H      2.79743875      1.24972297      2.03450241
+H      2.34553256      3.93043364      0.89383054
+H      3.89092633      3.45454141      1.65436992
+H      2.37954003      3.50010787      2.61507691
+H      6.76068944      1.46327096      0.03507969 
+
+22
+-2073.477916377789 13.323149 14.83933 -8.1606 -6.207 -9.674 0.9531 0.0571 3.278 8.85105 -3.03669 7.6999397538 11.4712219158 0.156418521
+C      1.06017931     -0.22989528     -0.20589968
+C      2.58867891     -0.16454501     -0.23940868
+C      3.09530561      1.26177968     -0.46741530
+N      4.54915147      1.41249806     -0.34031609
+C      5.25297928      0.74443837     -1.43245231
+C      4.91157448      2.83355369     -0.26113912
+C      6.36175044      3.07761099      0.15064550
+H      0.70910691     -1.25984211     -0.05088993
+H      0.62238042      0.13186744     -1.14902281
+H      0.65091106      0.38786821      0.60840439
+H      2.95868950     -0.83478845     -1.03146805
+H      3.00814100     -0.53520373      0.71004366
+H      2.63404140      1.91664774      0.29093293
+H      2.73437761      1.62769058     -1.45995504
+H      5.00588551     -0.32444353     -1.44725986
+H      6.33816762      0.82440982     -1.29082164
+H      4.99877572      1.17431587     -2.42953490
+H      4.24937978      3.29154114      0.49073553
+H      4.70419467      3.35591204     -1.22597253
+H      6.59492591      2.53627140      1.07906101
+H      6.52370441      4.15089150      0.32463853
+H      7.07775897      2.76285157     -0.62135562 
+
+22
+-2081.6826730418693 13.256521 14.89758 -8.4924 -6.461 -10.015 0.9283 0.0252 3.241 9.24078 -3.07988 8.0764356414 11.44886724 0.197823163
+C      1.15278002      0.72130229     -2.16553833
+C      2.15782253      0.95760036     -1.03707939
+C      2.23598748      2.42293840     -0.61134746
+N      3.15986924      2.60287478      0.51091633
+C      3.43999419      4.00589037      0.85938670
+C      2.22856040      4.64685656      1.54404115
+C      4.66673298      4.05157152      1.77089640
+H      1.12608968     -0.33671884     -2.46197538
+H      1.40613093      1.31146574     -3.05957201
+H      0.13498354      1.00583137     -1.85741761
+H      3.15942262      0.62065178     -1.35949986
+H      1.89382722      0.34939375     -0.15698990
+H      1.23200539      2.75601417     -0.29860878
+H      2.51319903      3.04794109     -1.49214256
+H      4.04812283      2.15416665      0.26702583
+H      3.66608835      4.60083811     -0.05667260
+H      1.96967812      4.08687173      2.45553307
+H      1.34682829      4.66156810      0.88850725
+H      2.45127919      5.68754119      1.82079021
+H      4.48235217      3.47243339      2.68834671
+H      4.90521211      5.08624820      2.05426913
+H      5.55227368      3.62915928      1.27063109 
+
+20
+-1935.2768731704998 13.342874 14.85613 -8.643 -6.5942 -9.599 1.3003 0.0563 1.348 9.0864 -0.78867 6.726922423 6.726922423 0.439935264
+C     -0.09949802     -0.27064006      0.86976953
+C      1.41263227     -0.49829972      0.84782507
+C      2.20213964      0.79188971      0.63569273
+N      3.64540649      0.54687500      0.65100810
+C      4.43386767      1.75315459      0.38140165
+C      5.90362203      1.45171584      0.40654577
+C      6.75098660      1.72698857     -0.59116621
+H     -0.64284359     -1.21416841      1.01939179
+H     -0.45305127      0.17117654     -0.07445655
+H     -0.38790112      0.41171032      1.68404049
+H      1.66576335     -1.21155039      0.04330467
+H      1.74485013     -0.96277011      1.78989453
+H      1.97329022      1.50086990      1.45177009
+H      1.86153993      1.28192309     -0.30567992
+H      3.87307284     -0.15458803     -0.06061328
+H      4.20028719      2.47891652      1.18282278
+H      4.16922849      2.24905457     -0.57913720
+H      6.26799262      0.96342098      1.31684178
+H      6.40665662      2.20314648     -1.51332012
+H      7.81473792      1.49556461     -0.51892570 
+
+18
+-1777.3116775677574 12.800901 14.52131 -8.8534 -6.7734 -9.734 0.9345 -0.0271 2.354 9.43014 -1.94032 4.4021477272 10.8833546954 0.794993188
+C      0.61047188     -0.37967776      0.36737949
+C      2.13720122     -0.37682633      0.27643158
+C      2.71568820      1.02789092      0.11761803
+N      4.17852549      1.00054269      0.07126931
+C      4.74890951      2.33550482     -0.15216070
+C      6.19051199      2.28723072     -0.37096516
+C      7.38554488      2.24935948     -0.57760200
+H      0.22067258     -1.40139525      0.47552119
+H      0.15296105      0.05786157     -0.53301979
+H      0.26176213      0.20246361      1.23403642
+H      2.45644742     -0.99656969     -0.57999858
+H      2.57625901     -0.83806973      1.17506220
+H      2.41814327      1.64600759      0.98387870
+H      2.26775470      1.51363793     -0.77998113
+H      4.48530804      0.38544212     -0.68789216
+H      4.53937397      2.95164663      0.74042359
+H      4.28065298      2.86917816     -1.01054926
+H      8.44153170      2.21383252     -0.75165172 
+
+21
+-1952.944732543876 12.857822 14.41592 -8.5376 -6.4164 -10.019 0.9698 0.0044 3.307 9.31618 -3.08244 8.1991197884 11.480669649 0.145803523
+C      2.08409477     -1.32245273      0.85863320
+C      3.14725637     -0.46059222      0.17583942
+C      3.00353461      1.02540201      0.49984048
+N      4.05734522      1.82062542     -0.13577261
+C      3.90174490      3.25895947      0.09235678
+C      5.08037848      4.03745461     -0.48835306
+N      5.22372627      3.77349397     -1.93320731
+H      2.21111598     -2.38545534      0.60951326
+H      1.06913305     -1.02731081      0.55120299
+H      2.13908434     -1.22915965      1.95424183
+H      3.08551087     -0.59867523     -0.91831952
+H      4.15599836     -0.78883780      0.47365375
+H      3.08375100      1.17088480      1.59210255
+H      1.98187788      1.36713686      0.21467231
+H      4.00225616      1.66575523     -1.14812634
+H      3.86557766      3.43091290      1.18165566
+H      2.95571632      3.65657285     -0.33644130
+H      5.99087032      3.79121479      0.09115854
+H      4.88356043      5.11241755     -0.35431043
+H      5.76668247      2.91667306     -2.06764485
+H      5.77153456      4.51669026     -2.37056537 
+
+15
+-1543.8284461456105 11.375938 12.28589 -9.613 -7.5261 -9.815 1.1898 -0.4162 1.124 9.30131 -0.59783 5.3790954142 6.7376100162 0.418738996
+C      0.43356047     -0.22681880     -1.60769825
+C      1.13957481     -0.32459604     -0.47638268
+C      2.36598136      0.48704760     -0.17864030
+N      3.49935580     -0.40001138      0.13723399
+C      4.72336665      0.30740480      0.49869250
+C      5.25950191      1.20054761     -0.55122443
+N      5.62949159      1.87750812     -1.42727865
+H     -0.46038749     -0.82828525     -1.77767455
+H      0.72385239      0.46804234     -2.40001191
+H      0.83870519     -1.03345320      0.30208084
+H      2.18599541      1.10696206      0.71885023
+H      2.57379489      1.18070247     -1.01719963
+H      3.68001481     -1.00847583     -0.66604731
+H      5.50324119     -0.42405648      0.75862646
+H      4.53857101      0.91169199      1.40141370 
+
+13
+-1385.127412370836 10.895971 12.02072 -9.8444 -7.6643 -9.992 0.9567 -0.4015 1.247 9.87102 -0.86543 4.4093885096 10.8405175324 0.718102411
+C      1.19437479     -0.43904682      0.62094368
+C      2.36533848     -0.33728575      0.32250664
+C      3.78049293     -0.22540497     -0.00627356
+N      4.26600788      1.15432712      0.19107052
+C      5.70107236      1.29666681     -0.03392447
+C      6.55695707      0.46966160      0.84341799
+N      7.16947453     -0.20571411      1.57222168
+H      0.15875197     -0.52846760      0.87891521
+H      3.93113298     -0.48675174     -1.06849044
+H      4.34585661     -0.97181099      0.58931511
+H      4.02991282      1.45782521      1.13957449
+H      5.98132853      2.35132862      0.10318942
+H      5.93175906      1.03964262     -1.08050625 
+
+17
+-1685.0966266855366 13.067457 13.15176 -7.914 -6.0876 -8.356 1.2902 -0.2731 0.705 7.71233 -0.13279 4.9316175416 5.0071002184 0.36912752
+C      1.47377540     -1.00778596      0.86588688
+C      2.87884245     -0.69636328      0.44741643
+C      3.34871204      0.56193818      0.33301543
+N      4.63523792      0.93565770     -0.05141378
+C      5.59792787     -0.10686976     -0.37355683
+C      5.02816205      2.27567468     -0.13512252
+N      4.38508014      3.36054158      0.09929887
+H      0.93388211     -1.56733129      0.08442260
+H      0.90251056     -0.09266857      1.07780076
+H      1.45238498     -1.63472417      1.77213287
+H      3.52867683     -1.54750817      0.23050611
+H      2.68904245      1.40381257      0.55200701
+H      5.24414933     -0.72154101     -1.21650246
+H      5.76868072     -0.76509885      0.49344429
+H      6.54983677      0.35804541     -0.65287275
+H      6.07343818      2.36087626     -0.46213010
+H      3.41630019      3.19656468      0.40209717 
+
+17
+-1695.410324247627 13.153058 13.56864 -7.8921 -6.084 -8.449 1.1844 -0.1324 0.787 7.88224 -0.19118 4.9824022072 5.1851813102 0.385725492
+C      1.06812764     -0.06748583      0.85124684
+C      2.45545008      0.34696446      0.46843909
+C      2.81721673      1.61886092      0.22105203
+N      4.09580474      2.03574642     -0.13854338
+C      4.50384152      3.34538116     -0.40624244
+C      5.96212711      3.44079977     -0.78394113
+N      3.79141541      4.41778230     -0.36383459
+H      0.64442149     -0.78274141      0.12729882
+H      0.39032453      0.79639450      0.90380554
+H      1.05081243     -0.56784224      1.83339231
+H      3.20843275     -0.44570923      0.38878586
+H      2.08294647      2.42420464      0.29502885
+H      4.80536905      1.31253234     -0.22454345
+H      6.60639765      3.05752351      0.02199963
+H      6.20927528      4.49013812     -0.96958871
+H      6.17396769      2.85662809     -1.69259225
+H      2.81737943      4.22751250     -0.09570302 
+
+17
+-1692.9520343867878 12.696574 12.94506 -8.033 -6.2143 -8.64 0.986 -0.2561 0.727 7.96551 -0.16718 4.9133915996 5.33945709 0.399323935
+C      3.47366656     -2.09771345      0.82025942
+C      2.93529763     -0.83104545      0.21068474
+C      1.62745661     -0.70256402     -0.09918193
+N      3.82405410      0.21620026     -0.09348193
+C      5.14594852      0.48040946      0.28488904
+C      5.68421891      1.72357199     -0.38881086
+N      5.91594304     -0.16701591      1.08919259
+H      4.36048787     -2.46396153      0.28428766
+H      2.69822938     -2.87157586      0.77606216
+H      3.74206785     -1.96494032      1.87937746
+H      0.93809154     -1.52533743      0.07472281
+H      1.22339595      0.21214281     -0.53568429
+H      3.39681047      0.95688014     -0.64498222
+H      5.09892219      2.61144619     -0.10304198
+H      5.64607838      1.63232505     -1.48467814
+H      6.72187849      1.86966917     -0.07497457
+H      5.44649254     -0.97433109      1.50811004 
+
+21
+-1954.2076178443488 12.789543 14.02089 -8.485 -6.4149 -9.992 0.92 -0.0339 3.325 9.27527 -3.04672 8.1560966464 12.1673289142 0.136413709
+C      2.43976901     -1.67721041      0.14858107
+C      3.72617526     -1.00616642     -0.33454810
+C      3.92023735     -1.22106498     -1.83855667
+N      3.65907862      0.43089800     -0.01464424
+C      4.95077925      1.12072810     -0.04788651
+C      4.77825823      2.60046149      0.29326345
+N      4.12575572      2.76759231      1.60710525
+H      2.31435372     -1.56122224      1.23633730
+H      2.45169556     -2.75330007     -0.07404566
+H      1.56581298     -1.22853231     -0.34781459
+H      4.58384998     -1.48502759      0.19270433
+H      3.08300819     -0.77387857     -2.39557784
+H      3.96408806     -2.29518168     -2.07024452
+H      4.85303190     -0.76792688     -2.20192634
+H      3.31277430      0.51423989      0.94661687
+H      5.37478153      1.04625760     -1.06186782
+H      5.68572213      0.66874144      0.65438352
+H      4.22593445      3.09439929     -0.52822877
+H      5.77707175      3.06074999      0.34247479
+H      3.11060229      2.78565221      1.48566719
+H      4.37272973      3.67210084      2.01040728 
+
+21
+-1959.2442819319774 12.561932 13.75685 -8.8991 -6.6456 -10.345 0.8222 -0.1414 2.919 9.81861 -2.59155 8.3388272132 10.7435976762 0.108062798
+C      0.91368849     -0.28471460      0.08685580
+C      2.45516607     -0.32723022      0.05168253
+C      2.97237205     -0.98346934      1.34105384
+N      2.96747769     -1.12565616     -1.09016691
+C      2.98264574      1.11849105     -0.09656834
+C      4.50178703      1.29209079     -0.06764331
+N      4.84324451      2.71221567     -0.28092502
+H      0.51539125      0.17778647     -0.82989363
+H      0.54080812      0.29658276      0.94504006
+H      0.49987825     -1.30238779      0.16194865
+H      2.70300540     -0.38421428      2.22272426
+H      4.06343200     -1.10200356      1.31406363
+H      2.52842610     -1.98342081      1.46829712
+H      2.54978469     -0.77358009     -1.95775857
+H      2.63729812     -2.09143406     -0.99781837
+H      2.53983999      1.74954526      0.69103237
+H      2.60153828      1.51934177     -1.05566362
+H      4.95733991      0.59757552     -0.79725423
+H      4.88696550      1.01412624      0.92642493
+H      4.59571107      2.98121009     -1.23798424
+H      5.85665973      2.83380529     -0.21294696 
+
+19
+-1823.501934722118 12.33322 13.09397 -8.2053 -6.3388 -9.103 0.7181 -0.221 1.107 8.18956 -0.53063 5.037427194 11.3909409808 0.211437956
+C      0.94221977     -0.19972195      0.05839633
+C      2.44176305      0.06155148     -0.13979940
+C      3.05755264     -0.87691709     -1.18636085
+N      2.72411545      1.47635951     -0.43136860
+C      2.19220240      2.09807121     -1.63164295
+C      3.42715098      2.25237752      0.46293566
+N      3.72929789      3.50517238      0.40895103
+H      0.53124925      0.45783900      0.83664759
+H      0.77142630     -1.24312092      0.36009410
+H      0.37625712     -0.02909195     -0.86980626
+H      2.94667805     -0.13156255      0.82063711
+H      2.59274235     -0.74453572     -2.17499236
+H      2.90848358     -1.92592054     -0.89270709
+H      4.13609259     -0.69426116     -1.28677560
+H      1.68503317      1.34622955     -2.24614472
+H      2.99799053      2.54392067     -2.23853388
+H      1.46327156      2.89119974     -1.39032409
+H      3.76887122      1.67836518      1.33732539
+H      3.36200212      3.95012563     -0.44318140 
+
+19
+-1835.2358313876064 12.240299 13.29423 -8.483 -6.6013 -9.457 0.7272 -0.2055 1.16 8.62107 -0.53429 5.025958489 12.3228693512 0.218364533
+C      0.84153568     -0.35932360     -0.12450268
+C      2.36444859     -0.17065425     -0.19530097
+C      3.02394991     -1.18897650     -1.12649058
+N      2.74162266      1.17844559     -0.61377349
+C      2.65768140      2.29933608      0.19784192
+C      2.89626493      3.59914036     -0.53621490
+N      2.43646589      2.33316692      1.47081245
+H      0.37829348      0.41519350      0.50156678
+H      0.58758347     -1.34225070      0.29860018
+H      0.39884976     -0.29673979     -1.13034988
+H      2.78641722     -0.31488932      0.81480551
+H      2.65961806     -1.06786932     -2.15962478
+H      2.78254333     -2.21316315     -0.81096546
+H      4.11622721     -1.07234661     -1.12842072
+H      2.74777314      1.34725076     -1.61654847
+H      3.86173300      3.58516741     -1.06344019
+H      2.89276938      4.41967336      0.18780871
+H      2.10645931      3.77925247     -1.28210553
+H      2.27946358      1.39049678      1.85226210 
+
+17
+-1690.7798986262424 11.318622 12.46334 -9.4351 -7.3981 -10.494 0.8376 -0.2421 1.379 9.72737 -0.9955 5.3772604214 12.797896913 0.165971103
+C      0.94962980     -0.24913329      0.21968631
+C      2.40511160     -0.33733443     -0.23697563
+C      2.60301106     -1.47570199     -1.23995994
+N      2.77013611      0.96030090     -0.84928507
+C      4.19530279      1.16335245     -1.09419673
+C      5.05330069      1.07256339      0.10745466
+N      5.67255444      1.00246146      1.09470981
+H      0.81243787      0.55081359      0.96325806
+H      0.63475121     -1.19267782      0.68537633
+H      0.28822210     -0.04425769     -0.63538427
+H      3.03635652     -0.54238444      0.65326258
+H      2.00083860     -1.29841849     -2.14361573
+H      2.29226290     -2.43022249     -0.79260687
+H      3.65429262     -1.58995131     -1.54050952
+H      2.43288620      1.71334791     -0.24386659
+H      4.34360011      2.15613245     -1.54480502
+H      4.55775539      0.43007978     -1.83020239 
+
+21
+-1956.409157792901 12.464021 13.65811 -9.0507 -6.7707 -10.556 0.8909 -0.0778 3.115 9.92283 -2.80781 8.7276597078 10.8469028114 0.132234856
+C      1.01519351     -0.03925886      0.20354684
+C      2.51183872     -0.05968341     -0.13544542
+C      2.81333738     -1.00473069     -1.31227517
+N      2.24542842     -0.51923161     -2.58259712
+C      3.02962762      1.37144971     -0.36893487
+C      4.53257474      1.49567457     -0.62864425
+N      5.32468923      0.90545255      0.46543932
+H      0.82390437      0.55397169      1.11035330
+H      0.63015791     -1.05526070      0.38268746
+H      0.42073819      0.41360560     -0.60659717
+H      3.05564021     -0.47795891      0.72836945
+H      2.46747291     -2.02090512     -1.03073120
+H      3.90459118     -1.07425016     -1.43867002
+H      1.22656258     -0.61237225     -2.56756073
+H      2.56761205     -1.11006383     -3.35159039
+H      2.76555857      1.98648405      0.51084567
+H      2.49919103      1.80967121     -1.22934793
+H      4.76275028      2.56357175     -0.81809507
+H      4.78763222      0.95713575     -1.55513021
+H      5.18260103      1.44906739      1.32182848
+H      6.32151784      0.97710127      0.24984903 
+
+19
+-1815.6192815738848 12.826526 13.6882 -9.0211 -6.8262 -8.788 0.7921 -0.2942 1.482 8.2066 -0.79106 6.1092489682 6.1092489682 0.382945098
+C      1.09171906      0.05943185     -0.12072510
+C      2.57860780     -0.16090083     -0.02690304
+C      3.01665908     -1.60205176     -0.17946613
+N      2.57502295     -2.40092136      0.98423308
+C      3.42470347      0.86483287      0.19411777
+C      4.92047756      0.83315851      0.32249112
+N      5.52629866      1.73205213     -0.68042279
+H      0.81948673      1.10313884      0.08419287
+H      0.56422696     -0.59500158      0.58942605
+H      0.72347919     -0.20318126     -1.12706259
+H      4.10311105     -1.65799718     -0.37477131
+H      2.51150265     -2.02455606     -1.06557114
+H      3.10039151     -2.10799877      1.81267273
+H      2.80023499     -3.38675142      0.83082604
+H      2.99904228      1.87204248      0.27343744
+H      5.30069979     -0.20558565      0.28905041
+H      5.19485297      1.23475386      1.31430564
+H      5.35144202      1.36137056     -1.61819867
+H      6.54135129      1.75856478     -0.55853235 
+
+21
+-1958.1914199020734 12.631411 14.12775 -8.8719 -6.6084 -10.321 0.8796 -0.0662 3.013 9.80912 -2.73251 8.4460875018 11.6828536192 0.121953057
+C      0.90036632     -0.07180295     -0.06299832
+C      2.41770894      0.02136130      0.10340771
+C      2.95857044      1.46280155      0.20922505
+N      2.43779254      2.24020311      1.35167791
+C      4.49274571      1.46700958      0.24800117
+C      5.12357953      2.85096540      0.09738268
+N      6.59509458      2.74233927      0.08635457
+H      0.57403360     -1.11734094     -0.15587146
+H      0.56605400      0.46163278     -0.96680835
+H      0.36549562      0.35834815      0.79765877
+H      2.90730753     -0.47376753     -0.75262437
+H      2.73129700     -0.53883911      1.00329024
+H      2.63990862      2.00730163     -0.70063487
+H      2.63371593      1.73149262      2.22091503
+H      1.41950463      2.31334457      1.29125463
+H      4.88463679      0.81473832     -0.54875410
+H      4.82279355      1.01647928      1.20457248
+H      4.71988488      3.51824825      0.88032381
+H      4.81684035      3.27649784     -0.87344869
+H      6.91843035      2.43338523      1.00818083
+H      7.00474909      3.66951164     -0.05204472 
+
+15
+-1570.4200790579946 11.968942 12.43991 -8.4657 -6.5376 -8.684 0.7205 -0.763 0.126 8.0772 0.45288 4.6326377012 4.6326377012 0.274056793
+C      2.06579275     -0.67500637      1.34012000
+C      2.65458978     -0.19755490      0.00240374
+C      3.05559428      1.25591946      0.00385226
+N      2.03383194      2.16540502      0.06469350
+C      4.37142101      1.63160048     -0.08630561
+C      4.74760349      2.99106755     -0.04546688
+N      4.99864811      4.13760835      0.00176133
+H      1.81443018     -1.74289246      1.28540556
+H      1.14426888     -0.13692053      1.60690389
+H      2.78575642     -0.53301803      2.15799034
+H      1.92122628     -0.35943403     -0.80552917
+H      3.53880122     -0.79966216     -0.24651932
+H      1.12785820      1.86113669      0.40107493
+H      2.26541526      3.14264701      0.22780682
+H      5.14832219      0.87813392     -0.19736139 
+
+21
+-1960.4766912830364 12.492728 13.72978 -8.8301 -6.6975 -10.215 0.866 -0.0951 3.013 9.73055 -2.7237 8.3103972234 11.697893121 0.099078874
+C      1.04715568     -0.18015076      0.34355284
+C      2.57171448     -0.15124741      0.23035292
+C      3.19936570      1.22965671      0.49726109
+N      2.91766338      1.78694249      1.83581088
+C      4.73555336      1.20197927      0.28972662
+C      5.29596544      2.60810437      0.04376645
+N      5.35592017      0.50387919      1.43542349
+H      0.65243069     -1.18321870      0.12748118
+H      0.57833323      0.52028839     -0.36630159
+H      0.70715827      0.09115178      1.35461605
+H      2.86575085     -0.47747067     -0.78263282
+H      3.02544552     -0.87252827      0.93080244
+H      2.78414564      1.94648323     -0.23434236
+H      3.04141619      1.04343499      2.53064199
+H      1.93964890      2.07384237      1.89819025
+H      4.93189254      0.57997964     -0.60083031
+H      5.04217703      3.26495478      0.88938408
+H      4.87779311      3.05436826     -0.87267275
+H      6.39062186      2.58092620     -0.06355813
+H      5.38150945      1.15572887      2.22678549
+H      6.33276851      0.29487527      1.21681217 
+
+17
+-1689.8655816795879 11.314861 12.57311 -9.408 -7.3328 -10.456 0.9034 -0.1787 1.416 9.71648 -1.00372 5.3471938164 11.9390954854 0.086566459
+C      2.89189959     -0.74251546     -1.38735040
+C      2.44741457     -0.03444150     -0.10858541
+C      2.97933404      1.40542280      0.02129101
+N      2.41724348      2.06535344      1.20116544
+C      2.79686913      3.47434039      1.34447864
+C      4.46338956      1.42021633      0.01807992
+N      5.62789004      1.46037886      0.09783309
+H      2.47548599     -1.75784978     -1.43040283
+H      3.98651539     -0.82678509     -1.44346239
+H      2.54784500     -0.20340271     -2.28288101
+H      2.77353671     -0.60803601      0.77480395
+H      1.35109746      0.03766907     -0.05853324
+H      2.65510821      1.98159102     -0.86478571
+H      2.70411119      1.54573863      2.03558248
+H      2.39227286      4.04496255      0.49488048
+H      3.88844926      3.65020620      1.39042997
+H      2.33916753      3.87142126      2.25993599 
+
+19
+-1822.5498645499113 12.328697 13.18279 -8.2499 -6.3541 -9.147 0.7596 -0.163 1.08 8.25268 -0.50775 5.0251897758 8.4569734726 0.218301547
+C      0.80420811      0.05384150      0.00397051
+C      2.31384138     -0.18777415      0.02025874
+C      3.11076703      1.12597691      0.03814696
+N      4.55687023      0.95263936      0.04379749
+C      5.20518005      0.74916893      1.32793499
+C      5.26290367      0.80052974     -1.13244635
+N      4.86430825      0.81492692     -2.35786899
+H      0.24931386     -0.89436955     -0.00561029
+H      0.49979217      0.62550456     -0.88623041
+H      0.47847177      0.62112597      0.88954420
+H      2.61582459     -0.77489720     -0.86143086
+H      2.58690655     -0.78823317      0.90338188
+H      2.83853706      1.71707023      0.92915176
+H      2.83863124      1.74235045     -0.83562199
+H      5.01272925      1.59927289      2.00255512
+H      6.28963011      0.67082339      1.17850658
+H      4.86326051     -0.17337700      1.82848703
+H      6.33953706      0.66705086     -0.94847299
+H      3.84351711      0.92546935     -2.43054339 
+
+19
+-1833.4932599469457 12.293956 13.42985 -8.5834 -6.6611 -9.577 0.733 -0.2033 1.136 8.76824 -0.52431 5.0186681122 11.5289869932 0.166862887
+C      1.81426477     -1.29765855      1.00083737
+C      1.84037642     -0.16230798     -0.02508288
+C      3.08273150      0.72731719      0.05673261
+N      4.28975519     -0.01182317     -0.28460512
+C      5.55649050      0.54931045     -0.21006390
+C      6.64279809     -0.31200425     -0.81022671
+N      5.87463638      1.67729211      0.33381047
+H      0.90547479     -1.90602358      0.89227232
+H      1.83158588     -0.89996463      2.02676938
+H      2.68192501     -1.96394062      0.89270094
+H      0.95777165      0.48222698      0.11063589
+H      1.75730753     -0.57138390     -1.04790523
+H      3.18759376      1.10762894      1.08800745
+H      2.95593569      1.60942862     -0.60126986
+H      4.17172304     -0.75118104     -0.97361941
+H      6.65022891     -1.31429644     -0.35707856
+H      7.61018074      0.16993937     -0.63934712
+H      6.49446502     -0.43390064     -1.89461943
+H      5.04254514      2.17102111      0.68275178 
+
+17
+-1689.3890069469821 11.398233 12.77 -9.4661 -7.3923 -10.504 0.9148 -0.1878 1.366 9.75699 -0.9909 5.3787854492 12.180818591 0.217679662
+C      0.96920237     -0.86939645      0.11097641
+C      2.46340924     -0.56555080      0.22877438
+C      2.77765977      0.91228842      0.00844242
+N      4.21438670      1.17346089      0.17337277
+C      4.59503205      2.56433765     -0.04532412
+C      4.31133427      3.08275152     -1.40196347
+N      4.07833798      3.41840627     -2.49554764
+H      0.76944508     -1.93929259      0.26042609
+H      0.58036079     -0.59209668     -0.88026333
+H      0.38936589     -0.31411772      0.86377713
+H      3.02033649     -1.16565387     -0.51222458
+H      2.83937108     -0.86492886      1.22001180
+H      2.24349225      1.51945929      0.76064815
+H      2.39853273      1.22806525     -0.98566888
+H      4.74341321      0.57544125     -0.46772978
+H      5.67187022      2.68449213      0.14713915
+H      4.06769987      3.20172429      0.68253350 
+
+17
+-1687.942690105996 14.094719 14.27168 -7.6832 -5.8096 -8.303 0.9495 0.1091 0.746 7.64497 -0.15616 4.8082762688 5.014551777 0.515250511
+C      1.01904117      0.18581238     -1.32173008
+C      2.48145205      0.42866217     -1.10643772
+C      2.97234990      1.49216531     -0.44465211
+N      4.31888681      1.75531252     -0.21632979
+C      4.80777505      2.86423086      0.43750214
+N      6.06156227      3.05859970      0.60209742
+C      6.45594508      4.26264906      1.30532552
+H      0.77037183      0.12233858     -2.39385133
+H      0.40993236      0.99032247     -0.88506846
+H      0.69278410     -0.76435409     -0.86745181
+H      3.17807688     -0.31131150     -1.51531724
+H      2.30127715      2.24845051     -0.02719166
+H      5.02110427      1.10254270     -0.56265988
+H      4.01682718      3.55130277      0.79545233
+H      7.05192388      3.99885617      2.19366701
+H      5.60336634      4.89018516      1.63480495
+H      7.10578369      4.87631524      0.66099072 
+
+19
+-1798.3955220873033 12.686639 13.13925 -7.8855 -6.0219 -8.562 0.9388 -0.0616 0.803 7.84766 -0.2442 4.6106425848 5.0244830556 0.294139878
+C      1.48500173     -0.78838505      0.98134119
+C      2.42442160     -0.27548229     -0.10904610
+C      3.22433224     -1.41275771     -0.75997336
+N      1.67900287      0.52562237     -1.10769107
+C      2.41768750      1.50466839     -1.88796318
+N      0.62933078     -0.11968027     -1.65767357
+C      0.10710272      0.28057296     -2.77257695
+H      0.94950039      0.04405167      1.45790798
+H      2.06233528     -1.32096020      1.74999016
+H      0.74222082     -1.47664159      0.55807721
+H      3.13025121      0.43624326      0.35049383
+H      2.53970376     -2.12880403     -1.23775179
+H      3.81705751     -1.95032150     -0.00540444
+H      3.91700046     -1.03339138     -1.52537634
+H      3.27269414      1.85835979     -1.30046460
+H      1.77738510      2.37073232     -2.11867087
+H      2.78442166      1.08870474     -2.84740614
+H     -0.76976025     -0.26760076     -3.11901333
+H      0.46211047      1.12847927     -3.37092862 
+
+21
+-1952.0246518283354 12.705736 14.04513 -8.6655 -6.4921 -10.048 0.931 0.008 3.127 9.85283 -2.82692 8.159890618 11.0690609262 0.098969686
+C      0.87215640      0.28654760      1.38772064
+C      2.33700545      0.10271550      0.98940125
+C      2.96644593      1.33708654      0.31849186
+N      3.09163077      2.53007628      1.17571943
+C      4.35553798      1.02258977     -0.25825041
+N      4.30330475      0.00317595     -1.30686352
+C      5.62776027     -0.34253134     -1.81832102
+H      0.46933113     -0.62414787      1.85372233
+H      0.24706664      0.51193311      0.50888603
+H      0.73840901      1.10590233      2.11173723
+H      2.43630690     -0.74833367      0.29689548
+H      2.94105343     -0.14974404      1.88064416
+H      2.31718505      1.63614778     -0.52822514
+H      3.62940425      2.28706448      2.01468627
+H      2.16840678      2.81527864      1.51025256
+H      5.00027937      0.63220413      0.55202286
+H      4.81234738      1.97694273     -0.59506558
+H      3.73384593      0.36040839     -2.07930553
+H      6.20477870     -0.84366841     -1.02532768
+H      6.22449008      0.52757273     -2.16635012
+H      5.52840382     -1.05003061     -2.65353110 
+
+19
+-1823.5049249635963 12.466976 13.42797 -8.2691 -6.3553 -9.137 0.7597 -0.1509 1.149 8.38449 -0.46743 4.8498735718 5.7789130684 0.173973665
+C      0.65392893      0.36913133     -0.74571957
+C      1.55409130      0.50303706      0.49248781
+C      2.69454286      1.47655098      0.28502485
+N      2.39236559      2.83101334      0.34117460
+C      1.22334306      3.38966412      1.00717089
+N      3.86009511      0.99720183     -0.00834811
+C      4.93367707      1.94364179     -0.25771807
+H     -0.13935432     -0.37185540     -0.57196267
+H      1.24728586      0.03973692     -1.61005263
+H      0.17302431      1.32107458     -1.01425031
+H      2.02132312     -0.46428897      0.71686570
+H      0.95142032      0.78946557      1.36960349
+H      3.20159548      3.44475930      0.31097570
+H      1.21456482      3.21467716      2.09784893
+H      0.29584869      2.98046524      0.58419890
+H      1.20902331      4.47390852      0.83619135
+H      5.86582200      1.39453313     -0.44751900
+H      5.12639503      2.61961124      0.60219988
+H      4.74141744      2.58333227     -1.14234174 
+
+19
+-1824.3929041027407 12.915894 13.79106 -8.2976 -6.351 -9.173 0.8908 -0.0154 1.074 8.47432 -0.45998 4.8049162482 5.8041814152 0.241813633
+C      2.45664253     -0.56359022      1.56750604
+C      2.52488409     -0.33204127      0.05783652
+C      3.12392066      1.02855955     -0.32491864
+N      4.52466537      1.12508615      0.04941757
+C      4.87778360      2.12890402      0.76231551
+N      6.18889802      2.39341924      1.08734325
+C      6.53421395      3.19468162      2.24990169
+H      2.02484574     -1.54661704      1.80392024
+H      1.83478668      0.20154366      2.05974825
+H      3.46000938     -0.51977850      2.01573115
+H      1.51516227     -0.39977910     -0.38055759
+H      3.13190792     -1.12121774     -0.41483970
+H      2.51312286      1.84206439      0.12644129
+H      3.04874203      1.14539809     -1.42101837
+H      4.16930391      2.89499531      1.13788573
+H      6.82748687      1.63848860      0.84078229
+H      5.83912398      4.04251883      2.32272921
+H      7.54577418      3.60516587      2.13183146
+H      6.49045597      2.63489856      3.20196411 
+
+19
+-1796.8864819765656 12.933285 13.57472 -8.006 -6.1111 -8.702 1.0819 -0.1304 0.771 8.01101 -0.21656 4.6130479132 5.1055946968 0.308453892
+C      1.06659397     -0.48116575      0.80375330
+C      2.53406846     -0.72982740      0.45315482
+C      3.26579882      0.56721415      0.11172964
+N      4.68252327      0.35553700     -0.21776074
+C      5.33406842      1.35497255     -1.05060517
+N      5.37641585     -0.23406329      0.78500986
+C      6.66431699     -0.13477324      0.85263050
+H      0.55433091     -1.42267541      1.04661326
+H      0.52162885     -0.01245177     -0.03066017
+H      0.97116538      0.18220939      1.67714760
+H      2.61471969     -1.41585884     -0.40592024
+H      3.05336095     -1.21399686      1.29245709
+H      3.16432128      1.28750376      0.94950848
+H      2.80026107      1.03093973     -0.77150321
+H      4.60423279      1.75768498     -1.76165225
+H      6.15525212      0.89917298     -1.62459757
+H      5.75429754      2.18760607     -0.45097658
+H      7.14653099     -0.67938808      1.66525442
+H      7.29607263      0.42930003      0.15573694 
+
+14
+-1451.8085541486746 11.574726 11.6101 -8.0034 -6.1563 -8.318 0.5137 -0.5187 0.153 7.75596 0.40511 4.4189974246 4.4189974246 0.282982308
+C      0.96784954     -0.10111137      0.04077767
+C      2.47750478     -0.01739929      0.00641954
+C      3.23678552     -1.20852257     -0.01231565
+N      3.89176184     -2.18517369     -0.02075095
+C      3.16383546      1.17835269     -0.01587727
+N      2.53326402      2.40237747     -0.18255459
+N      4.54003359      1.27634559      0.13671995
+H      0.53692538      0.64079313      0.73265159
+H      0.64945947     -1.08852432      0.39730992
+H      0.51085376      0.04878778     -0.95131651
+H      1.51821226      2.37153753     -0.14862107
+H      2.92180677      3.15855356      0.37855226
+H      5.01247536      0.37266825      0.14941980
+H      4.98598225      1.93240523     -0.50319467 
+
+14
+-1447.130484248759 10.52992 11.20868 -9.4259 -7.4479 -10.231 0.7831 -0.4621 0.574 9.45594 0.02506 4.8236505328 6.2700464116 0.178816809
+C      0.97422403     -0.09482601      0.08559399
+C      2.51295076      0.02399443     -0.01166426
+C      3.01669823     -0.70070393     -1.17913978
+N      3.41941927     -1.23524581     -2.13562702
+C      2.95159341      1.50852699     -0.01277424
+N      3.06372142      2.08004997     -1.25924676
+N      3.09368606      2.21501786      1.05147663
+H      0.62640101      0.41877969      0.99026058
+H      0.67132273     -1.14811576      0.13464766
+H      0.49816885      0.37003682     -0.78654527
+H      2.97095585     -0.44178758      0.87583552
+H      3.33513152      1.48622125     -2.03843885
+H      3.45286381      3.01962773     -1.26074081
+H      2.91148305      1.66103435      1.89495262 
+
+15
+-1510.5981748351555 13.167894 12.87922 -8.6231 -6.7284 -9.193 0.2721 -1.357 -0.207 8.67622 0.72006 4.536213789 5.3392215166 0.838447034
+C      1.83346602     -0.10165998      1.63514669
+C      2.73790142     -0.18633949      0.64317888
+C      3.18720114      0.96783008     -0.11389268
+N      4.05730323      0.82951159     -1.05586520
+N      4.36252170      2.09493111     -1.67624738
+C      4.69615899      1.85647551     -3.11127459
+C      5.78297759      2.07337432     -2.13403801
+H      1.51160012     -0.98298215      2.18968881
+H      1.39066006      0.85579596      1.91908803
+H      3.17835715     -1.14694205      0.36284217
+H      2.77390933      1.95982320      0.12910950
+H      4.37142529      2.65972017     -3.77396388
+H      4.54206825      0.83741839     -3.46974852
+H      6.36442894      1.20109850     -1.83107631
+H      6.28091077      3.04079485     -2.05684749 
+
+15
+-1532.6467814863968 11.695893 12.01931 -9.0306 -7.1797 -9.623 0.4046 -1.2898 -0.061 8.95146 0.51581 4.512284491 5.7523800644 0.536229181
+C      2.66814435     -1.04854443      0.30049827
+C      2.33060407      0.20007326     -0.05365425
+C      3.00744576      1.42840896      0.41591574
+N      2.54419855      2.62572087      0.27690652
+N      4.21017492      1.21984868      1.12293469
+C      5.45773297      1.00164041      0.37359010
+C      5.21382702      2.27509262      1.12137426
+H      2.11556032     -1.90996850     -0.07558031
+H      3.49470245     -1.23437206      0.98744768
+H      1.48264448      0.36731288     -0.72473514
+H      1.62621865      2.59004206     -0.18514783
+H      5.39896835      1.04540317     -0.71737498
+H      6.12566878      0.23888872      0.78068688
+H      5.71063983      2.44022492      2.07953920
+H      4.97169950      3.17099843      0.54532915 
+
+13
+-1348.5580786102419 12.431301 12.49735 -8.8933 -6.9827 -9.481 0.1294 -1.5311 -0.058 9.02421 0.60231 3.9646259304 6.1843844842 0.516747309
+C      1.45642925      1.53624751     -1.39238183
+C      2.48098478      1.31879795     -0.77444832
+C      3.61442124      1.03940499      0.03366157
+N      4.81227319      1.15470024     -0.43418970
+N      5.78064000      0.81574941      0.57700533
+C      6.97589378      0.21883625     -0.09263253
+C      7.01305455      1.62850914      0.34479307
+H      0.56719334      1.73335042     -1.95558204
+H      3.44245952      0.72068407      1.07313455
+H      6.87269232      0.02865403     -1.16196840
+H      7.45611874     -0.56282938      0.49705251
+H      7.52138790      1.91514962      1.26607192
+H      6.93511138      2.39503574     -0.42764613 
+
+17
+-1656.2065954557409 12.122796 12.83758 -8.3229 -6.4141 -9.805 1.5646 0.0464 1.022 9.16605 -0.30565 4.869860115 6.4577240198 0.354730447
+C      1.11047935      0.31432069     -0.68429644
+C      2.45098489     -0.10392649     -0.15065056
+C      2.73008222     -1.58182277     -0.01926469
+N      3.27247582      0.83921586      0.15903629
+N      4.53569893      0.33470213      0.66366403
+C      5.61194650      1.28652666      0.27612255
+C      5.07100726      1.30896616      1.65300241
+H      1.03609647      1.40695746     -0.72924970
+H      0.30387503     -0.08049301     -0.04618996
+H      0.95117523     -0.10413020     -1.69086774
+H      1.86969024     -2.17620637     -0.35143329
+H      2.96584887     -1.83869980      1.02270497
+H      3.61284211     -1.86199607     -0.61037876
+H      5.30887880      2.09683094     -0.38965208
+H      6.56990693      0.81117271      0.05921105
+H      5.61993926      0.85047929      2.47711072
+H      4.40479210      2.13424283      1.91138121 
+
+15
+-1537.7291377560791 10.755715 11.91392 -9.6777 -7.6464 -11.033 0.8246 -0.2466 1.554 10.36686 -1.13511 5.4123980538 12.1216648704 0.124328107
+C      1.26338997      0.29497762      0.11397328
+C      2.75115232      0.02533162     -0.14469950
+C      2.93843148     -0.75140219     -1.38186187
+N      3.08452315     -1.38800840     -2.34754005
+N      3.48746176      1.29483585     -0.25841701
+C      4.00042759      1.81308850      1.01891033
+C      4.92844171      1.21162831      0.01816541
+H      1.15210648      0.84222791      1.05913378
+H      0.70466293     -0.64661817      0.18292671
+H      0.84539110      0.90242028     -0.69807416
+H      3.15425438     -0.60567677      0.67922693
+H      3.80207613      1.23072884      1.92516886
+H      3.93922500      2.89613763      1.13936065
+H      5.55616512      1.84703164     -0.60842419
+H      5.34827089      0.22873734      0.25421083 
+
+19
+-1803.020836747338 11.971972 13.10442 -8.9377 -6.8483 -10.468 0.8894 -0.0569 3.353 9.78379 -3.31454 8.6875006424 11.2757455882 0.110812452
+C      2.16471393     -0.22846281      0.46156336
+C      2.80680524     -0.52458487     -0.89053876
+C      2.00926516     -1.56235490     -1.69589408
+N      2.02114593     -2.87122688     -1.02492860
+N      2.88854923      0.71087302     -1.68460273
+C      4.03130187      1.57987840     -1.39005039
+C      3.99154889      0.77988700     -2.64950772
+H      2.79904085      0.43389069      1.06758772
+H      2.00252768     -1.16567404      1.00888227
+H      1.19411164      0.26768691      0.31278066
+H      3.82918562     -0.94027081     -0.71846234
+H      2.40752998     -1.58030502     -2.72972713
+H      0.96521481     -1.21705190     -1.76281719
+H      2.93938736     -3.31029522     -1.13336236
+H      1.35238799     -3.49863049     -1.47567158
+H      4.73763611      1.25055587     -0.61967080
+H      3.82990051      2.65319795     -1.40784670
+H      3.76003009      1.25841357     -3.60377799
+H      4.67285713     -0.07679649     -2.71010563 
+
+17
+-1652.3835814111064 12.31819 13.13767 -8.5507 -6.6053 -10.129 1.2999 -0.2326 0.899 9.55031 -0.23223 4.8941117766 6.693694175 0.397549468
+C      1.19042995     -0.15834290      0.95732908
+C      2.68880159     -0.08126054      0.62422216
+C      3.04185979      1.18213453     -0.09586133
+N      3.53270378      1.15619409     -1.27850329
+N      3.78169151      2.49522894     -1.77878158
+C      3.53767485      2.51348449     -3.24756457
+C      4.92321203      2.44843263     -2.73231506
+H      0.96532754     -1.06982548      1.52785342
+H      0.58601230     -0.17148690      0.03941148
+H      0.86873460      0.70373778      1.56017748
+H      2.99847900     -0.93753779      0.00820057
+H      3.26957337     -0.12049710      1.56239374
+H      2.85547402      2.14637647      0.40725177
+H      3.11965566      3.45255115     -3.61252113
+H      3.12171426      1.59848204     -3.67318882
+H      5.43774288      1.48909507     -2.81066711
+H      5.55396287      3.33800350     -2.70956679 
+
+17
+-1676.3695019736078 11.570662 12.54247 -9.0091 -7.0904 -10.05 1.087 -0.0633 1.085 9.29666 -0.42917 4.8630656822 6.4637497394 0.137254573
+C      1.99005688     -0.88805832     -0.14669708
+C      2.29766771      0.60528115      0.04947643
+C      3.49788976      1.05496351     -0.76083671
+N      3.48405732      1.66060632     -1.89483910
+N      4.72697603      0.64225148     -0.20344447
+C      5.92914544      1.41355842     -0.47891552
+C      5.32214381      1.41959753      0.89214722
+H      1.12790379     -1.19077854      0.46378524
+H      2.85263034     -1.50341237      0.14198826
+H      1.75670441     -1.10450818     -1.19913719
+H      2.49157970      0.80043200      1.11685725
+H      1.42826471      1.21421750     -0.24025542
+H      2.51271687      1.81391329     -2.19463260
+H      5.79971124      2.30337575     -1.09953760
+H      6.82798056      0.82241211     -0.66653158
+H      5.77064271      0.83777322      1.70106321
+H      4.80798871      2.33619511      1.19708965 
+
+15
+-1507.5796044562323 12.260909 12.86697 -8.7695 -6.7633 -9.247 1.2449 -0.2423 0.632 8.8322 -0.03799 4.3398075664 10.7440564244 0.514686902
+C      0.98751869     -0.04553668      0.07043629
+C      2.51833935      0.02850305     -0.05719014
+C      3.05228276     -0.58995688     -1.33657121
+N      2.27376199     -1.18641819     -2.16110157
+N      2.83332172     -1.80880864     -3.25187551
+C      3.01219772      1.40423237      0.06661895
+C      3.41995437      2.54413136      0.16096040
+H      0.67227090      0.37864698      1.03187669
+H      0.65523486     -1.08879716      0.00491341
+H      0.50655175      0.51647845     -0.74005447
+H      2.96054519     -0.54334985      0.78382062
+H      4.14039728     -0.50314442     -1.50783573
+H      3.73215552     -1.41842459     -3.56246557
+H      2.15827748     -1.84999853     -4.01280243
+H      3.77554040      3.55057274      0.24608028 
+
+17
+-1681.4519957571 11.445201 12.51959 -8.991 -6.9728 -10.247 0.7719 -0.2478 1.519 9.43483 -1.09354 5.3520664662 11.4667460212 0.174996276
+C      0.97501503     -0.06695108      0.08433195
+C      2.51190292      0.00532919      0.09457627
+C      3.02498725     -0.76845060     -1.05083098
+N      3.39970267     -1.41717239     -1.94429049
+N      3.02901560      1.38455439      0.03712547
+C      2.53756730      2.18841437      1.15585068
+C      4.49388910      1.40248255      0.01135003
+H      0.56000409      0.31777698      1.02303121
+H      0.65352282     -1.10989997     -0.02507075
+H      0.57701635      0.51594886     -0.75664956
+H      2.88225163     -0.52079276      1.00881865
+H      1.44798127      2.30373992      1.10938158
+H      2.97928435      3.19105788      1.08357338
+H      2.80976961      1.76451790      2.14851204
+H      4.86306511      0.83780121     -0.85438442
+H      4.94620410      0.97283500      0.93214114
+H      4.83580081      2.44123854     -0.08788619 
+
+21
+-1944.4164562786877 12.543856 13.65304 -8.0318 -6.0314 -9.449 0.8923 -0.043 3.215 8.63886 -2.89131 7.3777993286 11.7099321616 0.162491958
+C      0.88234584     -0.87898403      0.18408734
+C      2.03539176     -0.14973846     -0.52358028
+C      2.67655841     -1.03363325     -1.61106525
+N      3.34146468     -2.19788999     -1.00273782
+N      1.71753212      1.18503887     -1.07592184
+C      0.64049136      1.19807327     -2.06157436
+C      1.48152501      2.18426511     -0.04124487
+H      0.50193333     -0.30970611      1.04392273
+H      1.24086701     -1.85265435      0.54335904
+H      0.04332663     -1.06388218     -0.50387941
+H      2.82714586      0.03781847      0.22645382
+H      3.34287671     -0.38837579     -2.21549860
+H      1.89435953     -1.42109495     -2.28461975
+H      4.21590125     -1.90305184     -0.56015758
+H      3.60377359     -2.86798719     -1.72798852
+H      0.84556263      0.48094737     -2.86792500
+H      0.58711528      2.19887487     -2.51593562
+H     -0.36294063      0.96972323     -1.63985986
+H      2.32191433      2.19032868      0.66863339
+H      0.54242884      2.03018942      0.53553952
+H      1.42308642      3.18044886     -0.50590708 
+
+17
+-1673.8317479109778 13.398096 13.90377 -8.7283 -6.8205 -9.273 0.7105 -0.8815 0.405 8.86286 0.32209 4.5138095188 5.5676037286 0.702691623
+C      2.03178313     -1.99528113      0.41126518
+C      3.11629055     -0.99702733     -0.02630358
+C      2.97186528      0.32611466      0.65145128
+N      2.78054398      1.40527751     -0.02212551
+N      2.66130678      2.53645819      0.82221710
+C      2.43655074      3.60877550      0.14747571
+C      2.27399137      4.92464437      0.82549148
+H      2.19337962     -2.97469674     -0.05938120
+H      1.03287351     -1.63827303      0.12399735
+H      2.03725568     -2.14077606      1.50158151
+H      3.09318939     -0.84203052     -1.11433735
+H      4.10823603     -1.41052764      0.22897150
+H      3.01634372      0.36358291      1.75378170
+H      2.36127262      3.56056631     -0.95159882
+H      2.37366494      4.81931247      1.91226600
+H      1.28959437      5.35953231      0.59001942
+H      3.02549827      5.64144823      0.45781826 
+
+19
+-1800.2765467800991 13.190987 13.75593 -7.7926 -5.9205 -8.516 0.9248 -0.0161 0.94 7.88088 -0.30078 4.7478206952 5.1263375546 0.208230304
+C      1.75314928     -0.04641656      1.70483295
+C      2.71010056     -0.29163842      0.52870604
+C      2.82946515      0.89519647     -0.38203252
+N      3.98618936      1.43304721     -0.58956205
+N      4.13509799      2.46808827     -1.47013493
+C      2.96304954      3.19115502     -1.93830057
+C      5.29997170      3.28668540     -1.15568371
+H      1.65340543     -0.94763248      2.32671827
+H      0.74710790      0.22659721      1.35088088
+H      2.11753286      0.77150649      2.34312717
+H      2.34645656     -1.15963795     -0.05123843
+H      3.71598556     -0.54824323      0.89228868
+H      1.90258664      1.25957459     -0.85211062
+H      2.30925895      2.52773975     -2.52372548
+H      3.29247580      4.00714897     -2.59261449
+H      2.36926557      3.61757493     -1.10332808
+H      6.11697123      2.61770750     -0.86270804
+H      5.11118409      3.99569457     -0.32520470
+H      5.59921583      3.85745226     -2.04577037 
+
+19
+-1824.3279783585363 12.287293 13.12409 -8.0784 -6.2594 -9.22 0.8308 -0.0997 1.142 8.31598 -0.4883 4.796770368 8.3264906062 0.19241702
+C      2.04297401     -0.76604953      0.91597900
+C      2.25771204      0.20998977     -0.25113499
+C      3.24647660      1.32338431      0.06919366
+N      2.90430435      2.55058125      0.31124578
+N      4.58365035      0.96361393      0.18335110
+C      5.13922583     -0.17643889     -0.53191121
+C      5.54101934      2.02644010      0.47058578
+H      1.28005274     -1.51531316      0.66159171
+H      1.70550723     -0.22626367      1.81204238
+H      2.96683818     -1.29863840      1.18168736
+H      1.30274875      0.69211605     -0.50461421
+H      2.56543292     -0.34006328     -1.15474430
+H      1.88317209      2.63233546      0.27162543
+H      4.46577744     -1.03976433     -0.49798597
+H      6.08079226     -0.47347965     -0.04799851
+H      5.36227328      0.05402463     -1.59237196
+H      5.08800156      2.73319398      1.17333437
+H      5.82078030      2.58985874     -0.43881248
+H      6.44654072      1.58136266      0.90619707 
+
+17
+-1693.5497350279015 13.074309 13.09145 -7.9756 -6.121 -8.698 1.0615 -0.2828 0.665 7.97527 -0.1166 4.8915328678 5.2653878536 0.472988087
+C      0.65453605      0.20144510      1.11815904
+C      1.43613075      0.66593740     -0.12200045
+C      2.85005074      1.10912129      0.19944958
+N      3.24901025      2.32875163      0.34932442
+N      3.80638275      0.11893753      0.38669729
+C      3.68466460     -1.25508882      0.25434961
+C      4.68898624     -2.13640124      0.41832218
+H     -0.36620912     -0.09492176      0.84030356
+H      0.58556737      1.01150364      1.85756677
+H      1.13522748     -0.65627654      1.60873211
+H      0.92324029      1.52250666     -0.58165167
+H      1.44852798     -0.12888804     -0.88442993
+H      2.46899364      2.97503038      0.19058524
+H      4.72334393      0.49625302      0.62857575
+H      2.68305400     -1.60258807      0.00003342
+H      5.70248021     -1.82105356      0.67115805
+H      4.50205284     -3.20060862      0.29821506 
+
+15
+-1510.6347056488064 12.680448 12.69564 -8.2051 -6.3466 -8.64 0.6512 -0.9317 0.119 8.17994 0.42226 3.99172927 11.3596841102 0.266305814
+C      2.06744931     -0.41106921      1.36540536
+C      2.35251916      0.12287262     -0.04953568
+C      2.91792101      1.53143732     -0.05072434
+N      2.21207176      2.62936939     -0.06439970
+N      0.85534030      2.52549546     -0.13589860
+C      4.33489881      1.67124724     -0.01359284
+C      5.55215431      1.68298308      0.03004041
+H      1.65433482     -1.42880097      1.32276441
+H      1.35145405      0.22192405      1.91026365
+H      2.99236928     -0.44235473      1.95767928
+H      1.43832827      0.09952007     -0.66621470
+H      3.07631840     -0.53748287     -0.54766170
+H      0.41481661      3.39568618      0.15009174
+H      0.41262671      1.69777862      0.27292198
+H      6.62126719      1.72937375      0.06040073 
+
+19
+-1806.371494273533 13.256857 14.29255 -8.0822 -6.1106 -8.914 1.1261 0.0306 0.853 8.36569 -0.25393 4.8884828122 5.3843896164 0.310333636
+C      0.79168366     -0.83411194      0.92981887
+C      2.22930235     -0.61764993      0.45480047
+C      2.56599745      0.86181606      0.28387495
+N      3.94376120      1.03206635     -0.17832069
+N      4.37714494      2.33274080     -0.18329586
+C      5.28415942      2.67683401     -1.02890929
+C      5.86608531      4.05335476     -1.01945209
+H      0.56744337     -1.90356829      1.04504972
+H      0.06637115     -0.41604215      0.21531989
+H      0.61688171     -0.34970384      1.90245021
+H      2.37927600     -1.14082184     -0.50637540
+H      2.94084728     -1.06511694      1.16699366
+H      2.48565827      1.38938906      1.24652571
+H      1.83753910      1.33558403     -0.40577057
+H      4.13243785      0.52640288     -1.05621609
+H      5.66810316      1.95552251     -1.77631294
+H      5.38029030      4.66272088     -0.24691618
+H      5.73733942      4.54717300     -1.99622482
+H      6.94966805      4.02766058     -0.81814956 
+
+20
+-1932.7293151335812 12.526366 13.90551 -8.4703 -6.5283 -10.068 0.9202 0.0225 3.018 9.3706 -2.66182 8.0043749782 11.5718985478 0.173272121
+C      2.86662645     -0.93125407     -0.37730904
+C      2.35469875      0.37818306      0.21686425
+N      3.41065156      1.39257011      0.18055348
+C      3.45026704      2.26895820     -0.99909461
+C      3.07671350      2.82547745      0.34151991
+C      1.64873822      3.28061340      0.58225398
+C      4.11366498      3.59984264      1.13250840
+H      2.09215297     -1.70995489     -0.32568626
+H      3.75501083     -1.28129548      0.16635473
+H      3.14571526     -0.79877561     -1.43329516
+H      2.07420876      0.22620154      1.27256159
+H      1.43664419      0.68843985     -0.32269278
+H      2.64251863      2.16281637     -1.73442171
+H      4.43985364      2.45972492     -1.42566913
+H      0.91742201      2.73802068     -0.02920472
+H      1.55312419      4.34956439      0.33999536
+H      1.37190454      3.15751530      1.64147886
+H      5.11859296      3.20252634      0.94040224
+H      3.91683180      3.51892884      2.21344018
+H      4.09670972      4.66794697      0.86466041 
+
+18
+-1788.271751563275 12.920495 13.97314 -8.7612 -6.7858 -9.328 1.4787 -0.0091 1.239 8.83796 -0.65387 6.4722303818 6.4722303818 0.531589779
+C      2.51971510     -1.00641888     -0.34935516
+C      2.22500528      0.42487180      0.08557349
+N      3.44790724      1.23532502      0.07169420
+C      3.75662438      1.89228031     -1.19530276
+C      3.24230678      2.69410170     -0.03056804
+C      4.12085952      3.56642450      0.77301772
+C      3.75919743      4.76021093      1.26134059
+H      1.60837661     -1.61931623     -0.30532971
+H      3.27747642     -1.46028405      0.30396836
+H      2.89867831     -1.03553143     -1.38161059
+H      1.83663517      0.43678854      1.11683846
+H      1.43866834      0.86514899     -0.56571828
+H      3.06325656      1.75502517     -2.03373558
+H      4.81439199      1.94075613     -1.46527872
+H      2.20261781      3.03353298     -0.12882110
+H      5.12734600      3.17684209      0.95744818
+H      2.75778099      5.16543517      1.09540689
+H      4.45194606      5.37297726      1.83849204 
+
+16
+-1629.2740240728247 12.337774 13.59459 -9.0709 -7.0549 -9.603 0.9528 0.0107 2.192 9.23366 -1.76646 4.35624811 9.8066974672 0.342267804
+C      3.01884723     -1.10458009     -0.61438651
+C      2.51508367      0.13740937      0.11144126
+N      3.53309171      1.19545498      0.09073574
+C      3.49057266      2.08910570     -1.06290662
+C      3.00946445      2.56550634      0.28136238
+C      3.76316573      3.48160104      1.09248258
+C      4.37647826      4.28253175      1.76861135
+H      2.27113081     -1.90842604     -0.56619354
+H      3.95072966     -1.46638467     -0.15888902
+H      3.21832713     -0.88999626     -1.67463213
+H      2.30889925     -0.09498182      1.16835023
+H      1.56028885      0.48279538     -0.34186230
+H      2.71653305      1.92367635     -1.82158664
+H      4.45745581      2.43474603     -1.43322075
+H      1.91991679      2.65851448      0.37399680
+H      4.92816493      4.97767745      2.36745716 
+
+19
+-1804.8521247837946 12.166703 13.57206 -8.864 -6.8137 -10.393 0.9493 -0.0038 3.259 9.71725 -2.92088 8.4724097296 11.8539171034 0.16973986
+C      2.64473724     -0.95095221     -0.66917070
+C      2.28942094      0.27946743      0.15759558
+N      3.35802069      1.28267417      0.09738163
+C      3.26452067      2.23985989     -1.01403628
+C      2.95591110      2.65913533      0.38902778
+C      3.90577569      3.50471880      1.20689059
+N      3.57437283      4.92899726      1.04431992
+H      1.85647334     -1.71260700     -0.58741543
+H      3.59094227     -1.38941546     -0.32364655
+H      2.75781727     -0.69264572     -1.73231703
+H      2.16376862      0.00029312      1.21656356
+H      1.31864790      0.69891914     -0.18497108
+H      2.41953579      2.14130098     -1.70499403
+H      4.21587785      2.51866032     -1.47661562
+H      1.89343978      2.83198631      0.60597329
+H      4.94194856      3.22840149      0.93023636
+H      3.78044347      3.24986931      2.27243112
+H      3.77884613      5.22280748      0.08541619
+H      4.16753987      5.49737938      1.65205068 
+
+15
+-1539.3271044719793 11.071907 12.32195 -9.775 -7.7688 -10.996 0.7813 -0.2497 1.304 10.38387 -0.91655 5.340139013 10.9986864726 0.357148281
+C      3.07606135     -1.09124817     -0.56565801
+C      2.50844674      0.14993804      0.11105335
+N      3.49262687      1.24243669      0.08665229
+C      3.45593817      2.11247264     -1.08267150
+C      2.92224851      2.59210075      0.23884974
+C      3.65032056      3.53336613      1.05365379
+N      4.22415441      4.31501288      1.70346553
+H      2.35633264     -1.91915987     -0.50920853
+H      4.00801090     -1.40535957     -0.07698916
+H      3.29252008     -0.90205535     -1.62700139
+H      2.28441049     -0.05866304      1.16858041
+H      1.55693890      0.45207783     -0.37633749
+H      2.70230807      1.91916143     -1.85446661
+H      4.42037180      2.48239984     -1.43440184
+H      1.83268051      2.68090978      0.31594943 
+
+20
+-1936.318045650907 12.612351 13.85427 -8.2347 -6.2892 -9.747 0.9953 0.1216 3.258 8.94167 -2.98088 7.9056201292 10.4688942946 0.103428701
+C      2.29490023     -0.46736212     -1.41356980
+C      2.38498551      0.10565670     -0.00210338
+N      3.18830485      1.31870671      0.04030711
+C      2.60597817      2.55865229     -0.53166303
+C      3.25589190      3.35578857      0.62170561
+C      3.35358589      1.99500214      1.35711006
+C      4.60646325      1.64046172      2.13667829
+H      1.69277289     -1.38690536     -1.42255215
+H      3.29725162     -0.69902273     -1.80057926
+H      1.82122466      0.24754712     -2.10282970
+H      2.85703217     -0.63135506      0.66895116
+H      1.35863466      0.29261167      0.39475056
+H      1.49722571      2.57681127     -0.46654274
+H      2.90980371      2.78758236     -1.56435435
+H      4.24671895      3.74769135      0.35386543
+H      2.65754633      4.14410781      1.09314436
+H      2.45206758      1.84846650      1.99346106
+H      5.50028235      1.80340095      1.51740425
+H      4.59392883      0.58531861      2.44934173
+H      4.68745076      2.25586947      3.04550480 
+
+20
+-1932.8474423695466 12.528089 14.0403 -8.444 -6.4903 -10.069 0.9555 0.0716 3.171 9.38703 -2.89121 8.0852758432 11.4685562168 0.3034292
+C      2.94870782     -0.98428786     -0.68480107
+C      2.42099053      0.27252004      0.00202146
+N      3.43207617      1.33324656      0.00329941
+C      3.47411939      2.31028732     -1.11052895
+C      2.55840567      2.26327597     -2.31401350
+C      2.97461365      2.70778651      0.24292388
+C      3.76848809      3.55717534      1.20639945
+H      2.21767019     -1.80231914     -0.61274275
+H      3.88703124     -1.31162599     -0.21579888
+H      3.14899183     -0.80174783     -1.75045168
+H      2.19814605      0.05156905      1.05916509
+H      1.46186646      0.58187754     -0.46065298
+H      4.50502280      2.59476453     -1.35461608
+H      1.51761235      2.03769255     -2.04824225
+H      2.89577325      1.51468516     -3.04735946
+H      2.56253540      3.24173441     -2.81763877
+H      1.88373008      2.84068148      0.29545572
+H      4.84384552      3.36833757      1.08544686
+H      3.49997583      3.32851536      2.24908165
+H      3.57991771      4.62795144      1.03514288 
+
+16
+-1698.3065131255362 11.979147 12.41908 -7.894 -6.0044 -7.953 0.8777 -0.0302 1.137 7.45237 -0.54718 4.8328998884 6.2366693804 0.490685254
+C      2.33084818     -0.49723243     -1.42059638
+C      2.49394610      0.03339478      0.00447854
+N      3.01371203      1.39613702      0.05918756
+C      2.25199882      2.54514849     -0.00322353
+C      3.10934135      3.63233990     -0.03496495
+C      4.43862173      3.12387531      0.00109733
+C      4.34940177      1.74282736      0.05380980
+H      1.93760389     -1.52381807     -1.40069303
+H      3.29441394     -0.50672103     -1.94821210
+H      1.63393131      0.12851700     -1.99475129
+H      3.17850657     -0.60820073      0.57895681
+H      1.52900765      0.02288145      0.53273253
+H      1.16755889      2.49093228     -0.00929548
+H      2.80967339      4.67575535     -0.06608553
+H      5.35882273      3.70067598      0.00316931
+H      5.11989166      0.97905734      0.09828041 
+
+14
+-1556.005889926927 12.512764 12.10356 -8.2403 -6.3594 -8.165 0.9057 -0.6251 0.509 7.59692 -0.04901 4.6715817038 5.784008893 0.336393539
+C      2.68355948     -1.17769888      0.29596708
+C      2.23898231      0.07776287      0.14748793
+N      3.02126661      1.24136281      0.08605896
+C      2.49205935      2.51881987     -0.06973968
+C      3.53339555      3.42004022     -0.08947396
+C      4.74296844      2.67315407      0.05900426
+C      4.40338186      1.34098646      0.16465696
+H      1.96568807     -1.99384882      0.32824920
+H      3.73907801     -1.42980911      0.38737983
+H      1.17190322      0.28874767      0.05925801
+H      1.41923760      2.66018315     -0.15157028
+H      3.43918955      4.49614027     -0.19830419
+H      5.75400696      3.06896886      0.08562522
+H      5.02293300      0.46080056      0.28823068 
+
+20
+-1950.9415522172535 12.454148 13.59161 -8.1754 -6.2297 -9.668 0.9856 0.0692 3.38 8.85225 -3.10882 7.7893708556 11.5418939358 0.171459166
+C      2.25931820     -0.26304119     -1.55002495
+C      2.40715639      0.15245442     -0.08858175
+N      3.06597855      1.44393836      0.08266887
+C      2.29899132      2.59406851     -0.41003236
+C      3.03645487      3.80768585      0.18235886
+C      3.72764098      3.25233579      1.45922158
+C      3.32118569      1.77060759      1.48971411
+H      1.83380760     -1.27459277     -1.61387973
+H      3.23682513     -0.26516201     -2.05323823
+H      1.58974793      0.41110488     -2.10277266
+H      3.01684177     -0.59813243      0.44073067
+H      1.40511489      0.15331139      0.40418705
+H      1.24741072      2.56030663     -0.03667192
+H      2.26447415      2.60878402     -1.50855806
+H      3.78400356      4.18787570     -0.52721374
+H      2.34154328      4.62974711      0.40175975
+H      4.81894380      3.35180755      1.38208141
+H      3.41089851      3.77496031      2.37211536
+H      4.09696368      1.10958016      1.90498577
+H      2.39906897      1.63824014      2.10413996 
+
+18
+-1807.5246423231968 12.229934 12.97156 -8.0172 -5.9852 -8.682 0.967 0.0711 1.472 8.36334 -0.84082 5.8471549628 11.4533803304 0.253299163
+C      3.15458914     -1.06841492     -0.78721038
+C      2.61826708      0.09778259      0.03939931
+N      3.34352634      1.33838584     -0.20055592
+C      3.22225950      1.88948937     -1.56262771
+C      3.37623193      3.37005923     -1.34903064
+C      3.27202674      3.66696550     -0.04881600
+C      3.03263403      2.41831452      0.75267851
+H      2.61482684     -1.99298753     -0.53791634
+H      4.22472638     -1.22253849     -0.58780467
+H      3.02980381     -0.89357500     -1.86567417
+H      2.72019067     -0.14232595      1.11030058
+H      1.52582622      0.22229913     -0.15567344
+H      2.23015178      1.66933751     -2.02724379
+H      3.98889451      1.46729881     -2.23544819
+H      3.51976724      4.07929633     -2.16382225
+H      3.31489104      4.66263455      0.39167410
+H      3.66989435      2.34327437      1.65193150
+H      1.97371243      2.38979414      1.10550952 
+
+20
+-1933.8227932578718 12.561699 13.82293 -8.2304 -6.2262 -9.726 0.9633 0.075 3.225 8.94815 -2.93678 7.8763222374 11.7481818426 0.113043461
+C      2.22536732     -0.50322851     -1.37579299
+C      2.35911753      0.07537969      0.02946533
+N      3.19726026      1.26317312      0.04835291
+C      2.65964972      2.50890764     -0.55408444
+C      3.31820478      3.31928582      0.59535338
+C      4.67460883      3.92451218      0.25711106
+C      3.37624481      1.95993855      1.34394675
+H      1.60079173     -1.40744281     -1.36617869
+H      3.21276200     -0.76213567     -1.78321143
+H      1.75412277      0.21895373     -2.05923936
+H      2.82160236     -0.66923023      0.69901189
+H      1.34497120      0.29412643      0.44376946
+H      1.55084052      2.56115548     -0.51474046
+H      2.99578911      2.71473107     -1.58352432
+H      2.66257206      4.06915578      1.05916570
+H      5.33079369      3.17380393     -0.20740679
+H      5.17560038      4.30386247      1.16074588
+H      4.56868208      4.76620660     -0.44421281
+H      4.30486158      1.70642112      1.88219891
+H      2.51140727      1.82869359      2.02749000 
+
+15
+-1569.636135673007 11.152614 11.68142 -8.8591 -7.0242 -9.064 0.9573 -0.0352 0.538 8.38976 -0.000720000000001 4.983493284 6.650051103 0.307702264
+C      2.40727652     -0.49447699     -1.42065529
+C      2.44662641      0.07096644     -0.00206380
+N      2.94232653      1.44358451      0.04412469
+C      2.21252279      2.59625227      0.05075211
+C      3.12053863      3.64452806      0.00400803
+C      4.38330542      3.01401769     -0.03543073
+N      4.27577076      1.67618403     -0.01561674
+H      2.05385943     -1.53491811     -1.40307408
+H      3.41078633     -0.47492606     -1.86522825
+H      1.73120111      0.08966070     -2.06036993
+H      3.10991129     -0.52720764      0.63771138
+H      1.44669601      0.06984518      0.45485582
+H      1.12767942      2.58071889      0.09480757
+H      2.89758345      4.70631969      0.00909990
+H      5.36968591      3.46947134     -0.06814068 
+
+13
+-1426.2708499621765 11.686688 11.37408 -8.5649 -6.7381 -8.679 0.7486 -0.8579 0.11 8.14009 0.43846 4.5454383474 6.0215412718 0.304694265
+C      2.65889251     -1.11188177      0.36098044
+C      2.16776666      0.11681501      0.16942842
+N      2.94482777      1.28919850      0.10340367
+C      2.46936193      2.56333568     -0.09197154
+C      3.56599591      3.40307489     -0.08852158
+C      4.67008221      2.54009182      0.11719557
+N      4.29915837      1.26120476      0.23372914
+H      1.97819229     -1.95920267      0.39743199
+H      3.72746950     -1.27986653      0.48097562
+H      1.10233749      0.31396382      0.04614759
+H      1.40818420      2.75564456     -0.21431575
+H      3.56858613      4.48017975     -0.21582056
+H      5.72450503      2.79563219      0.18578699 
+
+17
+-1680.332350733809 11.788803 12.2854 -7.9479 -6.021 -8.802 1.2887 -0.0115 0.773 8.24093 -0.1504 5.0328521106 11.9435837786 0.196304198
+C      2.46250436     -0.80882235      1.00371361
+C      2.51686788      0.24861593     -0.09410449
+N      2.74211257      1.58871116      0.44418497
+C      4.08823894      1.86989560      0.99854147
+C      4.17287210      3.39874974      0.88331406
+C      3.18962275      3.61874736     -0.24199740
+N      2.42015835      2.60282429     -0.45646328
+H      2.24449758     -1.79307959      0.56647733
+H      1.67725666     -0.57074641      1.73492017
+H      3.41854413     -0.89260035      1.54067624
+H      1.56371472      0.29201248     -0.63817829
+H      3.30700930     -0.00964990     -0.83231559
+H      4.86251948      1.38395925      0.36705366
+H      4.18134430      1.49604377      2.02553806
+H      5.18497781      3.76986656      0.67491744
+H      3.81580910      3.89613550      1.80333606
+H      3.03031996      4.54838695     -0.78711401 
+
+15
+-1578.2105063562285 11.070884 11.5711 -8.4551 -6.5303 -8.327 0.7708 -0.1831 0.853 7.86744 -0.1771 4.7703985458 6.5454317162 0.376373121
+C      2.25535245     -0.47387476     -1.41935981
+C      2.56045644      0.01267073     -0.00320807
+N      3.03295092      1.39552872      0.04017586
+C      2.26790561      2.53793562     -0.11762574
+C      3.15707183      3.59103532     -0.06388826
+N      4.44510057      3.13334554      0.11781972
+C      4.33369475      1.81568544      0.17238527
+H      1.91796772     -1.51949274     -1.39403944
+H      3.14922271     -0.41308051     -2.05491039
+H      1.46394032      0.12939427     -1.88454102
+H      3.34134013     -0.60815599      0.45894249
+H      1.66862399     -0.06594308      0.63687556
+H      1.19073086      2.49374536     -0.24110745
+H      2.93624153      4.65238673     -0.13909122
+H      5.14921017      1.11023933      0.31429250 
+
+13
+-1434.0772633342497 11.429977 11.23608 -8.6375 -6.7463 -8.462 0.6334 -0.9933 0.236 7.96591 0.31166 4.548302424 5.7219910958 0.402217489
+C      2.71329125     -1.17294609      0.30766868
+C      2.24144265      0.07059360      0.15803043
+N      3.00750103      1.25067353      0.09299882
+C      2.48648852      2.53308547     -0.06311575
+C      3.56845732      3.37809278     -0.07578317
+N      4.74656405      2.66572959      0.06720518
+C      4.38126239      1.40305202      0.16529251
+H      2.01228471     -2.00356893      0.34316199
+H      3.77358116     -1.40453160      0.39716853
+H      1.17061331      0.25983173      0.07194471
+H      1.41862590      2.70329620     -0.14703581
+H      3.56843135      4.45931691     -0.17965791
+H      5.05091637      0.55798479      0.28880180 
+
+15
+-1554.8913550554275 12.08809 11.90249 -7.753 -5.9139 -8.404 1.1469 -0.4679 0.602 7.61253 -0.05554 4.790323096 4.790323096 0.304706226
+C      1.12084344     -0.09560324     -0.59264004
+C      2.37053025      0.08352582     -0.12123998
+N      3.03748691      1.28174927      0.09740870
+C      4.41696387      1.37413196      0.61174560
+C      4.62600811      2.91576572      0.66487512
+N      3.39243660      3.53999928      0.14150392
+C      2.58860812      2.57459462     -0.13496693
+H      0.74232918     -1.10837021     -0.70601432
+H      0.45746474      0.72232430     -0.86994811
+H      2.97871780     -0.78571383      0.13860788
+H      5.11675837      0.87227812     -0.07479674
+H      4.49292584      0.89665844      1.60045576
+H      5.48390472      3.23906995      0.05685128
+H      4.80285197      3.27403008      1.69051134
+H      1.58665008      2.72738970     -0.53765348 
+
+19
+-1807.389564309285 12.138557 13.13985 -8.3437 -6.3357 -9.802 0.9391 0.0173 3.27 9.03 -3.01614 7.8867990544 10.7653572192 0.11154171
+C      2.28358517     -0.49484149     -1.39814095
+C      2.38038409      0.07405924      0.01428831
+N      3.20786021      1.26870608      0.06539828
+C      2.67412416      2.51993425     -0.53372028
+C      3.32513172      3.32022332      0.62183189
+N      4.59132859      3.93396491      0.23765712
+C      3.35085200      1.95097977      1.37270386
+H      1.66703671     -1.40470261     -1.40736787
+H      3.28173215     -0.74348554     -1.78548549
+H      1.82122080      0.22756524     -2.08721921
+H      2.83218376     -0.67270640      0.68844941
+H      1.35597023      0.28288389      0.40595068
+H      1.56586491      2.57547984     -0.50095226
+H      3.02350173      2.74796333     -1.55257544
+H      2.68915251      4.08938801      1.08007631
+H      5.21416603      3.21604792     -0.14458644
+H      5.05987950      4.31626570      1.06321992
+H      4.25890785      1.69013119      1.94129360
+H      2.45986787      1.82678334      2.02438856 
+
+17
+-1695.827838583824 11.550303 12.21411 -8.1544 -6.2106 -9.041 0.8663 -0.0909 0.982 8.32771 -0.36047 5.083983937 9.5006628234 0.138377951
+C      2.06088549     -0.69145565      1.00024295
+C      2.45333441      0.22069470     -0.15953867
+N      2.76456022      1.58000173      0.26985941
+C      4.02629736      1.83864209      0.98990466
+C      4.19907821      3.36054265      0.75994618
+N      3.36272707      3.69282742     -0.41484370
+C      2.61663486      2.65946611     -0.59683560
+H      1.81171466     -1.69479744      0.62706059
+H      1.18810032     -0.29005209      1.53371832
+H      2.88309499     -0.80072214      1.72150644
+H      1.62286335      0.28599818     -0.87934913
+H      3.31876410     -0.21516837     -0.70157166
+H      4.84675674      1.25327531      0.52707853
+H      3.95554189      1.56308920      2.05076627
+H      5.24429695      3.65365478      0.58993023
+H      3.83001085      3.93723537      1.62549305
+H      1.84660854      2.60545814     -1.37201789 
+
+20
+-1936.2738453446375 12.677505 14.40518 -8.5572 -6.4984 -9.891 0.9759 0.0899 3.333 9.15507 -3.04947 8.0158064874 11.7857248034 0.288806662
+C      1.02792887      0.98742424     -0.71020486
+C      2.37084612      1.03400604      0.00931303
+N      3.38622012      1.70676985     -0.80973063
+C      4.67143015      1.80532861     -0.16304027
+C      5.64145077      0.65846316     -0.35889314
+C      5.89448285      1.99321658     -1.02666365
+C      7.03313708      2.87889943     -0.57434419
+H      0.27924701      0.45742646     -0.10466758
+H      1.12256035      0.47514162     -1.67811902
+H      0.64236650      2.00179367     -0.89957750
+H      2.73066620      0.00958844      0.20092815
+H      2.24525647      1.51267087      1.00558360
+H      3.05410609      2.64495300     -1.05359633
+H      4.70518827      2.28918132      0.82743813
+H      5.30121373     -0.16493722     -0.98750853
+H      6.27878054      0.37712276      0.48125158
+H      5.67821669      2.01164875     -2.09794324
+H      7.17068914      2.82149831      0.51582677
+H      6.85156146      3.93358715     -0.83339433
+H      7.98219161      2.57646695     -1.04300799 
+
+20
+-1941.206209108081 12.522667 14.07727 -9.106 -6.9143 -10.489 0.9145 0.0032 3.09 9.85594 -2.75141 8.5089608024 11.1121708584 0.183268073
+C      3.10473235     -1.16282090     -0.55074201
+C      2.47056910      0.06307297      0.12552223
+N      1.96956277     -0.18691396      1.49325852
+C      3.43649889      1.23192868      0.14908838
+C      3.54221215      2.16085908     -1.04240979
+C      2.93368167      2.64834185      0.25478406
+C      3.65481298      3.66520346      1.10905260
+H      3.42074833     -0.93390506     -1.58027707
+H      2.39528758     -2.00325506     -0.59118614
+H      3.99310918     -1.49675093      0.00934430
+H      1.59273504      0.37108216     -0.47241386
+H      2.75961828     -0.43235360      2.09934667
+H      1.36104650     -1.01078882      1.48635767
+H      4.37937548      1.02204640      0.66978446
+H      2.87831081      1.97760339     -1.88991057
+H      4.53015856      2.53638389     -1.31596769
+H      1.84349723      2.73977053      0.25720918
+H      4.74412374      3.51052816      1.07284872
+H      3.34062220      3.59308141      2.16151603
+H      3.45453718      4.69227636      0.76641429 
+
+19
+-1807.9321470031855 12.24484 13.63913 -8.6414 -6.502 -9.901 0.8955 -0.0241 3.365 9.48067 -3.12143 7.9626164934 12.0382098938 0.177229741
+C      1.00159493      0.51958689      0.40946225
+C      2.50139717      0.54153630      0.68052199
+N      3.17497476      1.54290050     -0.15574481
+C      4.59562935      1.62243975      0.06356254
+C      5.47918266      0.67893836     -0.73630543
+C      5.47679887      2.14719660     -1.05763242
+N      6.67631018      2.93068851     -0.84840090
+H      0.50739527     -0.25521228      1.01221601
+H      0.80155109      0.31844338     -0.65242815
+H      0.53657130      1.48464505      0.66556793
+H      2.94233997     -0.43912223      0.43646608
+H      2.68342059      0.70503152      1.76563818
+H      2.74715445      2.46008772      0.00400714
+H      4.95333492      1.84178868      1.08395243
+H      4.98188459      0.00630090     -1.43561866
+H      6.36082252      0.26575776     -0.24215827
+H      4.93436034      2.42210336     -1.96633622
+H      7.26137449      2.50407032     -0.12723501
+H      6.43787254      3.86945891     -0.51715468 
+
+19
+-1812.8802562668645 12.093814 13.34061 -8.6064 -6.4405 -9.872 0.8576 -0.0737 3.016 9.42988 -2.67178 8.0686493206 10.8667405714 0.130338644
+C      3.10149290     -1.15740465     -0.55858593
+C      2.45553213      0.04752937      0.14402415
+N      1.95826332     -0.23611446      1.50737761
+C      3.40358577      1.22951537      0.19683292
+C      3.55382938      2.15317688     -1.00104835
+C      2.87839612      2.64979443      0.24694788
+N      3.48001468      3.72133886      1.01423783
+H      3.42106909     -0.90124931     -1.58049419
+H      2.39835507     -2.00169062     -0.62392018
+H      3.98958554     -1.49883173     -0.00281228
+H      1.57369759      0.35754502     -0.44689062
+H      2.74876721     -0.51382618      2.09888966
+H      1.33772215     -1.05052795      1.47958116
+H      4.32504033      1.04839055      0.76394122
+H      2.94205117      1.96230895     -1.88501881
+H      4.55103762      2.53811741     -1.22504562
+H      1.78912760      2.73870773      0.19710485
+H      4.49763765      3.70272433      0.91171637
+H      3.28428467      3.58477600      2.01009233 
+
+20
+-1936.5696139651359 12.558354 14.023 -8.4969 -6.4499 -9.963 0.966 0.0644 3.229 9.20569 -3.00508 8.0430834074 10.292387825 0.097056738
+C      1.60123655      2.53382440      1.65367199
+C      2.90217620      2.51476606      0.85979495
+N      3.78347741      1.43189710      1.30831537
+C      5.01164332      1.33917057      0.53234883
+C      6.13459947      2.36681218      0.84761753
+C      7.16400139      1.21197095      0.70965088
+C      5.99707527      0.20683072      0.91201612
+H      0.95708358      3.36331284      1.32969481
+H      1.80323480      2.64571718      2.72822051
+H      1.03562189      1.59937636      1.51051928
+H      3.44204094      3.46510237      1.00950011
+H      2.67832276      2.45275811     -0.22938495
+H      3.27900152      0.54208712      1.23261787
+H      4.82232892      1.32669372     -0.56484414
+H      6.04419678      2.70407778      1.89085041
+H      6.24299549      3.23810198      0.18726692
+H      7.58032243      1.15462014     -0.30630987
+H      7.99252312      1.17991821      1.42953933
+H      5.98751358     -0.71084618      0.30731155
+H      5.87405458     -0.05313161      1.97406250 
+
+20
+-1941.442946716776 12.376072 13.68158 -9.0987 -6.9161 -10.503 0.9119 -0.013 2.994 9.83857 -2.68869 8.4933757622 10.2933921116 0.104896603
+C      2.29872655     -0.44223035     -1.47703801
+C      2.51692754      0.01351803     -0.02621020
+N      3.21420256     -0.96946197      0.82503985
+C      3.26969860      1.33920291      0.03582839
+C      2.60415868      2.61978515     -0.54622518
+C      3.19842518      3.41976005      0.64443642
+C      3.39275866      2.07629896      1.39764260
+H      1.73878603      0.30529444     -2.06063199
+H      1.73363161     -1.38600864     -1.51141332
+H      3.26553340     -0.60859655     -1.97983231
+H      1.52633397      0.17739184      0.43952722
+H      4.13525736     -1.16992864      0.42058092
+H      2.70572357     -1.85792697      0.81189296
+H      4.27273136      1.20640849     -0.41213354
+H      1.50612386      2.55637871     -0.47844948
+H      2.87601345      2.92950716     -1.56508214
+H      4.16228295      3.87868686      0.37919546
+H      2.56446340      4.18530037      1.11271605
+H      4.31310872      1.93377120      1.97870203
+H      2.53356253      1.83971895      2.04382427 
+
+20
+-1940.1248519185406 12.318702 13.58253 -9.1138 -6.9372 -10.515 0.8687 -0.0654 2.917 9.85528 -2.54873 8.4463850682 11.1459570434 0.145238542
+C      2.61758408     -1.40763596     -0.46746803
+C      2.00100931     -0.09213435      0.03824663
+N      1.08861095     -0.25532351      1.18961242
+C      3.06529311      0.96121369      0.35901272
+C      4.02803953      0.63552246      1.48709445
+C      3.59609744      1.75943877     -0.81261361
+C      2.66014323      2.40484229      0.18881264
+H      3.28527373     -1.23606244     -1.32643148
+H      1.82942929     -2.10683485     -0.78462063
+H      3.20218854     -1.90329235      0.32310729
+H      1.38425022      0.32578503     -0.77758579
+H      1.59239683     -0.70708802      1.95957686
+H      0.34207273     -0.90815624      0.93529634
+H      4.75561869      1.44930620      1.61785482
+H      4.59819400     -0.28578744      1.29196306
+H      3.49946271      0.51951068      2.44673078
+H      3.20430052      1.53783958     -1.80750230
+H      4.64727173      2.05301665     -0.79905533
+H      3.07752344      3.13778626      0.88124065
+H      1.63389993      2.60879356     -0.11969147 
+
+20
+-1936.1095309250709 12.485419 13.90617 -8.4701 -6.4706 -9.787 0.9355 0.027 3.218 9.01543 -2.85569 7.7649704108 11.0819678688 0.399697998
+C      1.38528602      2.05938999     -0.43025371
+C      2.70142187      1.77127875      0.28450095
+N      3.83975754      2.00738848     -0.61166487
+C      5.14403731      1.69612506     -0.05451907
+C      5.60535696      2.46697694      1.17342907
+C      5.56104598      0.24791790     -0.19134400
+C      6.18639801      1.30586886     -1.07797970
+H      0.53021263      1.85721169      0.23025307
+H      1.28807958      1.43982685     -1.33282831
+H      1.32365595      3.11557495     -0.73660227
+H      2.73902885      0.71174139      0.58751162
+H      2.74581496      2.36770176      1.22005030
+H      3.82987534      2.98339516     -0.92525429
+H      6.60867344      2.14740286      1.48929870
+H      4.92622965      2.31530599      2.02620464
+H      5.64924379      3.54797799      0.96219435
+H      4.84611797     -0.43003055     -0.65758203
+H      6.17052495     -0.18741261      0.60163731
+H      7.22191435      1.59214655     -0.88862546
+H      5.87649485      1.32232198     -2.12270627 
+
+19
+-1811.1317735995303 11.965605 13.09218 -8.576 -6.453 -10.033 0.8953 -0.041 3.055 9.36618 -2.73139 8.1794556088 10.8266682962 0.094467405
+C      2.39455524     -0.46776947     -1.47968340
+C      2.56266610      0.00412037     -0.02864653
+N      3.28801994     -0.94101566      0.84238397
+C      3.27898728      1.35002743      0.04160947
+C      2.67745962      2.60612819     -0.64162028
+C      3.13795280      3.36789328      0.62427026
+N      3.17828845      2.06637700      1.33981908
+H      1.81396491      0.24874576     -2.08129738
+H      1.87362540     -1.43590690     -1.51473274
+H      3.37633046     -0.59721560     -1.96441325
+H      1.56902966      0.15415197      0.42754481
+H      4.14703609     -1.24356852      0.37084401
+H      2.72969989     -1.78686204      0.97961654
+H      4.33131731      1.21020140     -0.29481935
+H      1.58183697      2.54709004     -0.70961166
+H      3.09537838      2.91473072     -1.60696349
+H      4.12835358      3.83855671      0.47183311
+H      2.45249528      4.11095986      1.06048210
+H      3.95703264      1.92139547      1.98524473 
+
+19
+-1809.908380506164 11.789128 12.90151 -9.0251 -6.881 -10.413 0.8469 -0.0992 2.826 10.12602 -2.47313 8.2863687366 11.5625995978 0.178568066
+C      2.69384381     -1.50421555     -0.42133518
+C      2.00955435     -0.18743855     -0.02093104
+N      1.06329170     -0.31945434      1.10540573
+C      3.02769722      0.91699756      0.28241794
+C      3.78242691      0.79863625      1.59083572
+C      3.69520355      1.59530739     -0.86372486
+N      2.58258028      2.26311205     -0.14461485
+H      3.38924897     -1.36391486     -1.26322774
+H      1.94409089     -2.25145474     -0.71978151
+H      3.26632159     -1.92664771      0.42004232
+H      1.42225308      0.18528672     -0.87563396
+H      1.47118644     -0.91667775      1.83135142
+H      0.22278070     -0.80637850      0.78693431
+H      4.52793049      1.60164958      1.68602180
+H      4.32094842     -0.15881775      1.66812628
+H      3.08851720      0.87379001      2.44152916
+H      3.45648786      1.30239455     -1.89055995
+H      4.71789457      1.95551235     -0.71880913
+H      2.96427196      2.96617328      0.49788355 
+
+19
+-1803.649323610275 12.141783 13.38045 -8.7773 -6.7124 -10.298 0.884 -0.0429 3.04 9.85094 -2.68794 8.3328634866 11.8108195698 0.220870601
+C      3.14136643     -1.18832287     -0.51894049
+C      2.46729315      0.03670916      0.11884961
+N      1.92618398     -0.19885298      1.47212864
+C      3.42415439      1.21260679      0.17713854
+C      3.73520644      2.06889864     -1.00738862
+N      2.87184844      2.56070250      0.07316296
+C      3.45925515      3.56549599      0.95318701
+H      3.49564572     -0.97249233     -1.53877399
+H      2.43925432     -2.03326654     -0.57401625
+H      4.00970117     -1.51138557      0.07801994
+H      1.61719965      0.35212098     -0.50916067
+H      2.66638350     -0.58439650      2.06847082
+H      1.20173608     -0.92062978      1.42910359
+H      4.25714551      1.08274633      0.88623502
+H      3.23590115      1.88995518     -1.96421492
+H      4.75204045      2.47187541     -1.08117609
+H      2.94440676      3.53348185      1.92398181
+H      3.31161800      4.56343915      0.51450993
+H      4.54609972      3.41814458      1.12573315 
+
+19
+-1802.797754210649 12.01684 13.2668 -8.3922 -6.2801 -9.751 0.9079 -0.0353 3.215 9.11895 -2.94785 7.7931524286 12.0126067848 0.141144593
+C      1.41972330      0.00769430      1.67767448
+C      2.78300924     -0.07984513      1.00056821
+N      3.52062207      1.18031294      1.13666042
+C      4.83543041      1.17131333      0.53340242
+C      5.69390650      2.44498827      0.70227387
+N      6.91235793      1.62785354      1.02592154
+C      6.05292002      0.40295602      1.15020068
+H      0.85313588     -0.92359835      1.53831492
+H      0.83425933      0.84070249      1.26411452
+H      1.52531060      0.17162376      2.76159751
+H      2.65103344     -0.26820162     -0.07891901
+H      3.34159351     -0.95221416      1.40403443
+H      3.60557681      1.41886729      2.13065590
+H      4.71859151      0.90915487     -0.53179182
+H      5.38709003      3.04579925      1.57617935
+H      5.77936234      3.11621085     -0.16483187
+H      7.50061435      1.54845163      0.19334684
+H      6.42152366     -0.48888007      0.62083085
+H      5.89953908      0.14272078      2.21290676 
+
+19
+-1808.9222984503613 11.839109 12.86102 -8.6409 -6.4379 -10.173 0.8869 -0.0475 3.06 9.85179 -2.73996 8.3566068056 10.8751592208 0.10596514
+C      2.18408966     -0.45052632     -1.43820634
+C      2.50376636      0.06388965     -0.02692814
+N      3.12445258     -0.94561844      0.85277043
+C      3.41469542      1.29504157     -0.06988277
+C      2.75147251      2.59717403     -0.59814462
+N      2.52100798      3.02376606      0.80802295
+C      3.54148136      2.04413782      1.28188837
+H      1.70182669      0.31838992     -2.06106452
+H      1.50624454     -1.31596671     -1.39424989
+H      3.10680228     -0.76998455     -1.95009082
+H      1.56203015      0.36948949      0.46298569
+H      3.95523981     -1.33038798      0.39030060
+H      2.48398575     -1.73442785      0.97471598
+H      4.36889516      1.02854941     -0.55292290
+H      1.83017072      2.49403246     -1.19579919
+H      3.46776749      3.22471620     -1.16036665
+H      2.74042454      4.00283679      1.00112261
+H      4.55053514      2.47097804      1.42657793
+H      3.25516186      1.47612043      2.17954127 
+
+19
+-1811.4920423653282 12.000523 13.41883 -9.1735 -7.0518 -10.632 0.8563 -0.0865 2.935 10.00907 -2.61615 8.4857010288 11.9125500828 0.11228956
+C      3.11873265     -1.14798441     -0.51610654
+C      2.46059934      0.05719222      0.17457482
+N      1.88209170     -0.23747699      1.50085280
+C      3.43977783      1.20761008      0.31251764
+N      3.77412889      2.06075035     -0.85271978
+C      2.98186181      2.61832468      0.27718674
+C      3.63795051      3.70554320      1.08981240
+H      3.51686234     -0.88007835     -1.50717548
+H      2.39594199     -1.96663737     -0.64979290
+H      3.95626217     -1.52926837      0.08932018
+H      1.62475014      0.41127683     -0.45850241
+H      2.62987245     -0.54397107      2.13220097
+H      1.24467324     -1.03519415      1.42330430
+H      4.31848593      0.97656439      0.93088708
+H      3.13959114      1.82748319     -1.62604231
+H      1.90681358      2.74806604      0.10665048
+H      4.71260994      3.50604770      1.20145884
+H      3.18611077      3.76846291      2.09111188
+H      3.52615358      4.68552913      0.60178128 
+
+19
+-1815.0554871444187 11.892082 12.9529 -8.9824 -6.8496 -10.137 0.7812 -0.2106 2.953 9.57258 -2.57939 8.083019298 12.2644347494 0.160346706
+C      2.83246588     -1.30657296     -0.47018808
+C      2.25909441     -0.06359750      0.22844000
+N      1.73887880     -0.32439850      1.58647804
+C      3.27951042      1.08074160      0.28577802
+N      4.45395075      0.92153416      1.12316453
+C      3.48690508      1.89053615     -0.97412463
+C      2.75347963      2.49088182      0.20844219
+H      3.18110842     -1.07456667     -1.48841869
+H      2.07398009     -2.10000040     -0.54122337
+H      3.68539287     -1.71747187      0.09476822
+H      1.40290627      0.30105059     -0.36527634
+H      2.45238934     -0.82572510      2.12606763
+H      0.94460662     -0.96645476      1.52707960
+H      4.17832830      0.83532120      2.10509766
+H      4.98447455      0.08499611      0.86709035
+H      2.90621656      1.62536721     -1.85949201
+H      4.49923713      2.24490841     -1.16803754
+H      3.28116101      3.24447977      0.79250671
+H      1.67355389      2.62481072      0.13800770 
+
+20
+-1934.2381898869048 12.640196 14.32507 -8.5276 -6.4607 -10.034 0.9716 0.0675 3.288 9.28155 -2.97752 8.1124907702 11.3953424838 0.365963149
+C      1.00546354      0.50107755      0.23771614
+C      2.49446675      0.31175751     -0.02895515
+N      3.19494408      1.59563989     -0.06472039
+C      4.63827412      1.45889558     -0.26017825
+C      5.33109039      2.79800836     -0.18259729
+C      5.75533385      3.34464362      1.16409955
+C      6.79492841      2.86914939      0.17467732
+H      0.48219793     -0.46533151      0.23583212
+H      0.55314683      1.14694393     -0.52783108
+H      0.83502312      0.96864139      1.22022975
+H      2.63659659     -0.17255202     -1.01063200
+H      2.92433585     -0.38606006      0.72557537
+H      3.03156850      2.09298816      0.81651709
+H      4.80221514      1.01017974     -1.25644969
+H      5.11043035      0.76566080      0.47539805
+H      4.97031065      3.53272312     -0.90660054
+H      5.57722062      2.71973268      2.04187127
+H      5.66348672      4.41608841      1.34398566
+H      7.41054850      3.61628795     -0.32660901
+H      7.30926805      1.93175552      0.39355108 
+
+20
+-1939.6159559246605 12.458372 13.91991 -9.1383 -6.9373 -10.546 0.9124 -0.0132 3.078 9.87094 -2.76917 8.5675069916 11.3528896774 0.286151981
+C      3.38114446     -1.73038261      0.42305178
+C      2.77125157     -0.40461878     -0.05391934
+N      1.30158655     -0.34100715      0.07309432
+C      3.36592324      0.81228396      0.67418303
+C      4.85009515      1.02254388      0.46157103
+C      5.34133822      1.69805022     -0.79987613
+C      5.43055201      2.41573740      0.52841705
+H      4.46672563     -1.77384815      0.24546300
+H      2.92589567     -2.58105536     -0.10612411
+H      3.20704825     -1.87159883      1.50275263
+H      2.99487928     -0.28807116     -1.12965503
+H      1.04477417     -0.45792516      1.05940847
+H      0.88175001     -1.13643907     -0.41612250
+H      3.15837647      0.71501999      1.75715517
+H      2.81683996      1.70459396      0.33179080
+H      5.49745428      0.23356915      0.85410718
+H      4.58821203      2.04376949     -1.51044623
+H      6.26525905      1.34276209     -1.25742428
+H      6.41530031      2.54635129      0.97828958
+H      4.73901369      3.24143485      0.70514357 
+
+20
+-1928.199516227484 12.561283 13.74588 -8.2622 -6.3288 -9.655 1.0179 0.1414 3.422 8.82459 -3.19276 7.6589003878 12.0115900996 0.234548735
+C      3.44865865     -0.66181380     -0.51652799
+C      2.72067278      0.09241531      0.59198097
+N      3.15814887      1.48700924      0.76541554
+C      2.25791630      2.18391412      1.68639614
+C      4.52566427      1.58762794      1.22053047
+C      5.64369733      1.68542655      0.21026978
+C      5.24523079      2.89805489      1.01901723
+H      2.99939112     -1.65745773     -0.64166489
+H      4.51354185     -0.80098993     -0.28880748
+H      3.36750973     -0.12446274     -1.47240387
+H      2.81495358     -0.47163593      1.54950447
+H      1.64450770      0.12556478      0.35721138
+H      1.23533177      2.17280466      1.28194546
+H      2.57693385      3.22912856      1.79419066
+H      2.23312285      1.72455522      2.69956183
+H      4.76191590      1.04858139      2.15528069
+H      5.35404515      1.68009141     -0.83992111
+H      6.58802069      1.18988432      0.43840539
+H      5.91158324      3.24644429      1.80819906
+H      4.69705359      3.68031745      0.49307630 
+
+19
+-1803.0940713508335 12.121353 13.63722 -8.6681 -6.5432 -10.134 0.9404 0.0288 3.203 9.39141 -2.89639 8.1419250466 11.5659472198 0.191836727
+C      1.35089205      0.50899752      0.53708887
+C      2.72883994      0.43444089     -0.11052936
+N      3.47334046      1.68044412      0.08259342
+C      4.82977351      1.62791204     -0.46207464
+C      5.55393792      2.93133823     -0.22068385
+C      6.37015551      3.15263228      1.00698766
+N      7.02872366      2.87460883     -0.28972455
+H      0.78621778     -0.41710884      0.36038630
+H      0.77590132      1.35337115      0.13173950
+H      1.43161153      0.64463670      1.62713665
+H      2.62061124      0.27738208     -1.19755315
+H      3.27752560     -0.45265030      0.27842942
+H      3.52934874      1.88093626      1.08626012
+H      4.75328251      1.45217314     -1.54956655
+H      5.44781441      0.79952838     -0.05175286
+H      5.05435905      3.81323494     -0.63556692
+H      6.46891990      2.34717881      1.74050835
+H      6.41729103      4.16306472      1.42059352
+H      7.38689384      3.74884905     -0.68596191 
+
+19
+-1808.4366415068146 11.938519 13.25981 -9.0407 -6.8772 -10.579 0.8982 -0.0506 2.982 9.94321 -2.68508 8.5352334358 10.8086407318 0.161220972
+C      1.17578647     -0.33348136      0.03123150
+C      2.69553483     -0.22654728     -0.16651477
+N      3.15811515     -0.60738772     -1.51462661
+C      3.19193237      1.18704214      0.17297255
+C      4.69664840      1.33265178      0.20194134
+C      5.48281623      1.81927421     -0.95892668
+N      5.21658298      2.72184421      0.18625149
+H      0.88405037     -0.11299370      1.07008705
+H      0.82048050     -1.34654390     -0.21023656
+H      0.64681288      0.37565995     -0.62582869
+H      3.18076531     -0.93165960      0.53425178
+H      2.72595048      0.01630553     -2.20485843
+H      2.81828535     -1.54677236     -1.73793495
+H      2.78977532      1.47469470      1.15907072
+H      2.77583401      1.91189826     -0.54922127
+H      5.21051295      0.61786892      0.85612201
+H      4.96199386      2.08888655     -1.88102264
+H      6.49059892      1.42144285     -1.10193691
+H      6.05367363      2.78349681      0.77390908 
+
+18
+-1796.477037942431 12.782175 13.36171 -9.2684 -7.1893 -9.396 1.0419 -0.0403 1.242 8.93999 -0.65433 6.4988749732 6.4988749732 0.395902399
+C      0.87392674      0.13563251     -0.01024730
+C      2.41754668      0.03480236      0.02616284
+N      2.77030704     -0.82400113      1.17352089
+C      2.87790569     -0.71582340     -1.21621295
+C      3.81836610     -0.32592582     -2.08247226
+C      2.97848646      1.44795374      0.06219930
+C      3.77510090      1.96095374      1.00499243
+H      0.53890473      0.73600335     -0.86663126
+H      0.50370427      0.61209628      0.90965695
+H      0.43752789     -0.86958161     -0.08447987
+H      2.44439664     -0.38987849      2.04205153
+H      3.78813741     -0.90546290      1.24158893
+H      2.37727017     -1.68074766     -1.34962693
+H      4.35456151      0.61853195     -1.96853176
+H      4.08702902     -0.95092492     -2.93554371
+H      2.66217881      2.08850112     -0.76933975
+H      4.12072535      1.36771937      1.85522599
+H      4.10943461      2.99830150      0.95969693 
+
+16
+-1640.0072253951378 12.330077 13.05681 -9.3305 -7.2738 -9.617 1.3115 -0.0613 1.264 9.0628 -0.64978 4.3174528906 6.6891810846 0.353072729
+C      0.98522305     -0.01660704      0.16683789
+C      2.52207610     -0.00855742     -0.00333027
+N      3.10458403     -0.74680389      1.14861956
+C      2.88322724     -0.79267890     -1.25637314
+C      3.49986915     -0.31600961     -2.34016688
+C      2.99909107      1.38464867     -0.06611694
+C      3.40239977      2.53109202     -0.06320404
+H      0.50339062      0.49783402     -0.67350345
+H      0.70369839      0.49550937      1.09805858
+H      0.63183172     -1.05538161      0.21320564
+H      2.85877394     -0.25303861      2.01226008
+H      4.12579374     -0.70696432      1.07924634
+H      2.58426271     -1.84397068     -1.19592111
+H      3.81034612      0.72894791     -2.40412666
+H      3.70801820     -0.96114224     -3.19449450
+H      3.75690416      3.54169233     -0.05908109 
+
+14
+-1479.1216871597671 11.947717 12.97364 -9.5381 -7.4458 -9.498 1.0022 -0.1411 1.772 9.17509 -1.47624 4.3231562466 10.86241346 0.588006315
+C      0.96646761     -0.01786094      0.01018425
+C      2.51466591     -0.01164983      0.01540815
+N      2.97201617     -0.71404932      1.24407538
+C      3.01733218     -0.75254540     -1.15641645
+C      3.41854240     -1.36634755     -2.12173209
+C      3.00492106      1.38377380     -0.05051078
+C      3.40174439      2.53149027     -0.03392470
+H      0.58414873      0.46472191     -0.89676094
+H      0.59582010      0.53230802      0.88593880
+H      0.61737628     -1.05637642      0.05597220
+H      2.70631376     -0.13850323      2.04960740
+H      3.99591639     -0.74276092      1.24066416
+H      3.77468112     -1.90975184     -2.97306860
+H      3.75618390      3.54214143     -0.03265677 
+
+20
+-1945.0551181065798 13.331788 14.40414 -8.8667 -6.7463 -8.688 0.8429 -0.0535 1.532 8.10673 -0.83466 6.071780399 6.071780399 0.399214843
+C      2.16329626     -0.63794910      1.54375726
+C      2.76273585     -0.27264165      0.17155187
+N      1.83275002     -0.47654166     -0.96398750
+C      3.22707036      1.16031605      0.16967771
+C      4.47408778      1.64221820      0.01842265
+C      5.70153155      0.79915681     -0.20808111
+C      4.73688303      3.12597343      0.06378969
+H      2.90875992     -0.53378370      2.34714272
+H      1.80062484     -1.67769149      1.54628707
+H      1.31209141      0.01950688      1.78363989
+H      3.62208252     -0.93783716     -0.01213495
+H      1.05419138      0.18621123     -0.88135491
+H      1.41147979     -1.40775482     -0.88995217
+H      2.42049999      1.89045354      0.32781621
+H      5.48799354     -0.27428842     -0.26501971
+H      6.43637741      0.96039744      0.59822734
+H      6.19991823      1.09495918     -1.14593088
+H      3.81525260      3.70056336      0.22707823
+H      5.19680733      3.47104642     -0.87746836
+H      5.44805616      3.37750547      0.86853895 
+
+18
+-1803.507103991892 14.158131 14.27233 -8.4563 -6.5111 -8.346 0.6664 -0.8716 0.344 7.85373 0.22282 5.081752189 5.081752189 0.809183653
+C      0.78555450     -0.38407408      0.07966408
+C      2.29410427     -0.16010100     -0.08106246
+N      2.99245604     -1.20214388     -0.86479595
+C      2.66972679      1.17694722     -0.66487850
+C      1.83574389      2.18908813     -0.98023891
+C      2.27871738      3.45165401     -1.54372210
+C      1.46009927      4.47294983     -1.86133187
+H      0.32693155      0.36715860      0.74058800
+H      0.59696584     -1.37358379      0.52040297
+H      0.27485480     -0.34416300     -0.89495938
+H      2.75019522     -0.19970263      0.92827825
+H      2.59688908     -1.23047938     -1.80991049
+H      2.81197560     -2.12011184     -0.44939853
+H      3.74371967      1.29493011     -0.84846484
+H      0.75831668      2.08435490     -0.81152417
+H      3.35597660      3.55666266     -1.71492153
+H      0.38085874      4.40513261     -1.70441323
+H      1.84345409      5.40109152     -2.28507135 
+
+16
+-1643.9896783482602 13.451831 14.08395 -8.9055 -6.8758 -8.549 0.6753 -0.9201 0.58 8.1298 -0.00337999999999 4.0956543352 11.4224458234 0.478808111
+C      0.82996339     -0.16329436     -0.08274719
+C      2.36677026     -0.06897271     -0.00026722
+N      3.08186704     -0.84066794     -1.03857085
+C      2.80470690      1.36795190     -0.07425538
+C      3.34816480      2.05556239      0.94957867
+C      3.72748640      3.42010256      0.89301485
+C      4.06862142      4.58905896      0.88653954
+H      0.34828990      0.38450697      0.74086998
+H      0.50746135     -1.21429827     -0.03166054
+H      0.46497231      0.25934910     -1.03192672
+H      2.68990160     -0.47548068      0.97350163
+H      2.80511309     -0.49950400     -1.96508609
+H      2.77733954     -1.81765450     -0.99994630
+H      2.63956977      1.88134777     -1.02887218
+H      3.51902912      1.54491990      1.90436506
+H      4.36561312      5.61737291      0.86963274 
+
+18
+-1800.2680124176625 13.270705 13.43547 -8.6675 -6.6483 -8.542 0.6018 -0.9066 0.327 7.96452 0.19473 5.2370074582 5.2370074582 0.715408587
+C      1.46835310     -0.56849850      0.80520085
+C      2.59461392     -0.05865463     -0.12010228
+N      3.41459577     -1.14635875     -0.67915667
+C      2.02626200      0.83494762     -1.21638109
+C      2.01458458      0.45511941     -2.51133945
+C      1.48482007      2.15037143     -0.85930182
+C      1.55052566      2.77080055      0.33369795
+H      0.85797110      0.24779249      1.21511865
+H      1.89408507     -1.13829268      1.64450105
+H      0.79883750     -1.23577739      0.24049244
+H      3.28318984      0.56377553      0.47860649
+H      2.79972222     -1.86490129     -1.07561431
+H      3.91266656     -1.60686703      0.08609955
+H      2.47203193     -0.47614620     -2.84195194
+H      1.57939975      1.10086328     -3.27611704
+H      1.00657793      2.68320906     -1.68856534
+H      2.02215297      2.32218107      1.20946362
+H      1.13677001      3.77113603      0.46265933 
+
+16
+-1644.079326650161 12.720245 13.22423 -8.914 -6.8911 -8.736 0.7396 -0.8467 0.619 8.21864 -0.06513 4.0452540262 6.0528601354 0.423033282
+C      1.12988400     -0.14967288      0.36884642
+C      2.56037041     -0.02890717     -0.18706240
+N      2.74476472     -0.65082947     -1.50429189
+C      3.02101983      1.43286919     -0.21137899
+C      3.52926180      2.02217572     -1.31271295
+C      2.90576939      2.15121039      1.01562240
+C      2.81272706      2.72581990      2.08513476
+H      1.03978035      0.30839358      1.36372798
+H      0.84345977     -1.20833657      0.44678630
+H      0.41713845      0.35380825     -0.30306254
+H      3.24178823     -0.55295529      0.50758841
+H      1.99486498     -0.34403916     -2.13285445
+H      2.63868245     -1.66327755     -1.41252495
+H      3.65623538      1.44730050     -2.22929198
+H      3.84651055      3.06416556     -1.29264731
+H      2.73671265      3.24837497      3.01654118 
+
+22
+-2084.898903355746 12.855784 13.99772 -9.0484 -6.918 -10.455 0.8461 -0.0922 2.812 9.7766 -2.45554 8.3821851174 10.1945504724 0.119627327
+C      0.95655566     -0.09759664      0.06032258
+C      2.48274901      0.02218511     -0.08134595
+N      3.00134835     -0.68569673     -1.27200342
+C      3.02312202      1.49107402     -0.05131869
+C      2.60790592      2.26444573     -1.31693387
+C      2.49008583      2.22672484      1.19200787
+C      4.56046017      1.44642620      0.02711680
+H      0.58140577      0.33179316      1.00041168
+H      0.66483648     -1.15824675      0.04351206
+H      0.43572391      0.40045647     -0.77267365
+H      2.94004560     -0.48013769      0.79103189
+H      2.44242411     -0.42579259     -2.09050120
+H      2.85648834     -1.69100310     -1.15188703
+H      3.02904658      1.80465595     -2.22321997
+H      2.98567473      3.29713392     -1.27025853
+H      1.51437913      2.32184909     -1.42774561
+H      2.69335444      1.65496363      2.11167782
+H      1.40760595      2.41116051      1.13718631
+H      2.98561148      3.20412366      1.29394629
+H      4.89106053      0.95554077      0.95669056
+H      4.97805261      2.46493388      0.01874312
+H      4.97586337      0.88380656     -0.81902906 
+
+20
+-1941.0933539673686 12.927487 13.86636 -9.0874 -6.9476 -9.407 0.9734 -0.0737 1.4 8.84761 -0.81156 6.6123469604 6.6123469604 0.434831518
+C      2.92761054     -0.93189116     -0.83615994
+C      2.53914081     -0.07439340      0.37466725
+N      2.90810712     -0.66749264      1.67542679
+C      3.10325302      1.37452152      0.26524412
+C      2.41130308      2.30771735      1.27223354
+C      4.59711104      1.41635862      0.44956680
+C      5.48923796      1.73821825     -0.49510957
+H      2.57960821     -0.48189331     -1.77958132
+H      2.48474121     -1.93613995     -0.75812084
+H      4.02125168     -1.04319868     -0.90160677
+H      1.43960783      0.02882058      0.38746205
+H      3.88146296     -0.98616547      1.63796867
+H      2.34875852     -1.50832283      1.83495056
+H      2.87772272      1.72521377     -0.75754869
+H      2.56590322      1.94297478      2.29746784
+H      1.32729787      2.34363059      1.08511867
+H      2.80617575      3.33055543      1.19726397
+H      4.95595679      1.18145867      1.45968176
+H      5.17660222      1.99721762     -1.51065664
+H      6.56025746      1.76273027     -0.28592822 
+
+18
+-1783.461266741126 12.526037 13.70418 -9.1383 -6.9672 -9.633 0.8362 -0.1019 2.403 9.19239 -2.00438 4.3422624892 10.5092517376 0.480952871
+C      0.93833925     -0.10045418      0.04798871
+C      2.47107833     -0.05855577     -0.04636291
+N      3.00959626     -0.73608691     -1.23471643
+C      3.02217609      1.39691240     -0.01869957
+C      2.48303931      2.23444537      1.15929672
+C      4.48575478      1.40806598     -0.00508108
+C      5.69586025      1.46735313      0.07426562
+H      0.55827480      0.29163612      1.00243995
+H      0.58923746     -1.13929701     -0.04349501
+H      0.47891059      0.48006064     -0.76911173
+H      2.89433940     -0.57758405      0.83170256
+H      2.58660102     -0.33708684     -2.07904683
+H      2.73963870     -1.72236642     -1.22128809
+H      2.69074271      1.88050888     -0.95936888
+H      2.71301177      1.74659255      2.11776870
+H      1.39672767      2.37396007      1.08634307
+H      2.95600877      3.22462554      1.16481600
+H      6.76519284      1.49399048      0.11717919 
+
+16
+-1646.4013076425915 13.636015 14.52664 -8.8768 -6.7861 -8.541 0.5974 -0.9711 0.596 8.09793 -0.04762 3.7985962778 11.1559007206 0.635519488
+C      0.94660094     -0.06645791     -0.00439947
+C      2.48885631     -0.03312083     -0.04026786
+N      3.10550825     -0.76341954     -1.16838395
+C      2.97695342      1.34730909     -0.02529586
+C      3.33356846      2.51425925     -0.02069743
+C      3.82557198      3.84418085     -0.01488100
+C      3.06036942      4.95186012      0.03940467
+H      0.55885362      0.46055068      0.87931796
+H      0.59433077     -1.10783942      0.03081491
+H      0.53193965      0.41466215     -0.90194835
+H      2.86045092     -0.52178253      0.88021680
+H      2.81975584     -0.32158008     -2.04741541
+H      2.73066771     -1.71608183     -1.18675580
+H      4.91524170      3.95023501     -0.05664742
+H      1.97225877      4.89005436      0.08135638
+H      3.51454223      5.94247063      0.04346184 
+
+14
+-1491.4000524294033 13.617731 14.36249 -9.1816 -7.0842 -8.666 0.7633 -0.8336 1.01 8.26646 -0.59247 3.2178582524 7.8491693034 1.630528312
+C      0.96921321      0.01735405      0.01377539
+C      2.51287500      0.00831356     -0.04196040
+N      3.09917559     -0.72514987     -1.18135581
+C      3.03108866      1.37567572     -0.02198930
+C      3.41598583      2.53655694     -0.01410423
+C      3.85915332      3.82169021      0.00067505
+C      4.25556061      4.97641389      0.01300168
+H      0.60482022      0.54521498      0.90666422
+H      0.59399194     -1.01586908      0.04368056
+H      0.55700566      0.51602747     -0.87492522
+H      2.88412854     -0.49177437      0.87232845
+H      2.79871518     -0.28515865     -2.05614985
+H      2.72428894     -1.67757237     -1.18831731
+H      4.60662729      5.98730751      0.02428677 
+
+20
+-1944.5246494665798 12.96776 13.92348 -9.1378 -6.9529 -9.133 0.8475 -0.0742 1.431 8.50777 -0.79015 6.369904736 6.369904736 0.40605068
+C      2.84440160     -2.13306482      0.32030742
+C      2.89710604     -0.76914455     -0.37902497
+N      1.57495994     -0.18581534     -0.67946682
+C      3.69585527      0.26691913      0.44076954
+C      5.15005426     -0.07050785      0.67099203
+C      6.02602079     -0.15304670     -0.55245369
+C      5.64357391     -0.26504200      1.90437789
+H      3.85155716     -2.54092893      0.49694536
+H      2.28164533     -2.86070934     -0.28339525
+H      2.34548473     -2.04496951      1.29960765
+H      3.39932496     -0.89514677     -1.35440884
+H      1.05535531     -0.06377421      0.19663482
+H      1.02840315     -0.85236302     -1.23214222
+H      3.19424297      0.40516723      1.41445964
+H      3.62194713      1.22690256     -0.09845543
+H      5.71483066     -0.97458209     -1.21754163
+H      7.07801497     -0.31641902     -0.28491836
+H      5.95652143      0.77205777     -1.14709443
+H      5.00683924     -0.19933504      2.78897647
+H      6.69970115     -0.49032752      2.06740082 
+
+20
+-1941.842037617655 13.259284 14.50031 -9.0739 -6.8942 -9.418 0.8647 -0.0845 1.406 8.9015 -0.83919 6.653522711 6.653522711 0.474462569
+C      1.00235787     -0.29446267      0.00100911
+C      2.53528525     -0.24676365     -0.06498597
+N      3.11215556     -0.96613769     -1.21733920
+C      3.04285621      1.20312412     -0.06404138
+C      4.56722886      1.32524130      0.09422392
+C      5.05736454      2.73530934     -0.04027732
+C      5.72184929      3.42144587      0.89755021
+H      0.62060341      0.20405421      0.90573106
+H      0.64067710     -1.33365216      0.00993261
+H      0.56014415      0.21011359     -0.87340307
+H      2.93553590     -0.74443340      0.83745563
+H      2.69579026     -0.60222818     -2.08154802
+H      2.84615602     -1.95330227     -1.17369174
+H      2.54338207      1.76121559      0.74450783
+H      2.72876230      1.68594262     -1.00869140
+H      5.03546695      0.68897937     -0.67608146
+H      4.87177701      0.91721883      1.07298118
+H      4.83628702      3.22881368     -0.99545115
+H      5.96399149      2.97339644      1.86522662
+H      6.05153874      4.44807507      0.73033255 
+
+18
+-1786.4979071904497 12.695548 14.13176 -9.2735 -7.0645 -9.722 0.8183 -0.1434 2.363 9.33262 -1.99892 4.3610463682 10.7132830992 0.592091563
+C      0.89330751     -0.08516916      0.10907797
+C      2.41777791     -0.08764489     -0.07288485
+N      2.89262128     -0.91371706     -1.19909388
+C      2.95266311      1.34245886     -0.23430433
+C      4.49172551      1.41105862     -0.23776968
+C      5.00725419      2.75443570     -0.46408256
+C      5.41465292      3.88331273     -0.65173169
+H      0.59100473      0.49731680      0.99327940
+H      0.51106235     -1.10927039      0.23268916
+H      0.39808615      0.35664792     -0.77069075
+H      2.87369728     -0.51925321      0.83732939
+H      2.42110389     -0.61296184     -2.05891848
+H      2.61617791     -1.88803183     -1.05450247
+H      2.55846510      1.97578645      0.57525816
+H      2.56866936      1.76845637     -1.17782658
+H      4.87372526      0.72419412     -1.00953883
+H      4.87664590      1.03418702      0.72569436
+H      5.78247963      4.87416379     -0.82155434 
+
+22
+-2072.5332859096566 12.995767 14.24063 -7.9346 -6.0105 -9.411 0.8982 -0.0002 3.245 8.57431 -2.92571 7.3418681858 11.5257509586 0.076088872
+C      3.64632186     -1.17235864     -0.10662646
+C      2.65587562     -0.22781199      0.57183985
+N      3.15512808      1.13979770      0.75630715
+C      2.06306986      2.02625326      1.14903075
+C      4.35571039      1.23798655      1.62072275
+C      5.04015663      2.59852033      1.44933594
+C      4.12118598      0.91941727      3.11011703
+H      3.13758272     -2.10814474     -0.37895884
+H      4.49082850     -1.44181692      0.54309425
+H      4.04771144     -0.71726909     -1.02389446
+H      2.30221300     -0.68239029      1.52666033
+H      1.76113527     -0.14364408     -0.06654621
+H      1.29373020      2.01421633      0.36236020
+H      2.42086241      3.06005441      1.24251308
+H      1.56760146      1.74428638      2.10407648
+H      5.05571020      0.48483408      1.22581531
+H      4.45895482      3.41505013      1.90384632
+H      5.18165999      2.82541830      0.38355415
+H      6.02424780      2.59057573      1.93972673
+H      3.48641243      1.67881193      3.59152975
+H      5.07985581      0.90098011      3.64896096
+H      3.64432553     -0.06169677      3.25045494 
+
+20
+-1928.840805651027 13.269434 14.24035 -8.2558 -6.3328 -9.506 1.5612 0.0678 1.38 8.9851 -0.80872 6.6738688136 6.6738688136 0.422571507
+C      2.81379471     -1.46364395      0.72898459
+C      2.25864513     -0.14008254      1.25015249
+N      2.97610587      1.04300605      0.75795625
+C      2.20905407      2.25669983      1.03022484
+C      4.32771467      1.14667309      1.32237531
+C      5.17255824      2.16623922      0.61160170
+C      5.88060167      3.12703047      1.21503105
+H      2.15805368     -2.28999897      1.03848852
+H      3.81732076     -1.68528230      1.11873266
+H      2.86616244     -1.45359002     -0.36904199
+H      2.22314391     -0.15621223      2.36507153
+H      1.21543032     -0.03886148      0.91064337
+H      1.22995075      2.19314762      0.53412456
+H      2.74120742      3.13186188      0.63347803
+H      2.03879930      2.42482432      2.11822712
+H      4.81451628      0.16469785      1.20605866
+H      4.30574851      1.36915602      2.41532395
+H      5.20056653      2.06813261     -0.47938721
+H      5.86013875      3.25168483      2.30107628
+H      6.50880702      3.81558771      0.64790828 
+
+18
+-1772.1955565811163 12.383435 13.43955 -8.4101 -6.4832 -9.581 0.9344 0.0372 2.289 8.8216 -1.87898 4.3627945708 10.7365428728 0.878161183
+C      3.39261946     -1.46069926      1.09862091
+C      2.78358920     -0.08884808      1.37282359
+N      3.26453098      0.95924420      0.45902905
+C      2.50199586      2.19535559      0.63162699
+C      4.71211036      1.20174164      0.55203061
+C      5.19612719      1.65069012      1.86825308
+C      5.52992463      2.00564411      2.98146677
+H      2.88521381     -2.22078018      1.70912220
+H      4.46058216     -1.50215985      1.35614895
+H      3.27726405     -1.73485205      0.03999686
+H      2.95008486      0.19181841      2.43584916
+H      1.69297602     -0.14382166      1.22729791
+H      1.43932715      1.99057430      0.43841117
+H      2.84338536      2.94327259     -0.09906558
+H      2.59387160      2.63481490      1.64680805
+H      4.97537297      1.95703677     -0.20637901
+H      5.24602514      0.28177702      0.26820226
+H      5.84224918      2.32587144      3.95456704 
+
+22
+-2072.664649870801 13.075979 14.4 -7.9049 -5.998 -9.395 0.9376 0.0319 3.378 8.55206 -3.15574 7.366504204 12.8177470716 0.126359222
+C      2.72350261     -1.17031564     -0.45278605
+C      2.51485981     -0.24967066      0.75078061
+N      3.17243630      1.05478811      0.60587657
+C      2.54156252      2.09746112      1.42881121
+C      2.64869066      1.95553352      2.95659762
+C      4.62813073      0.96259044      0.76741471
+C      5.37148636      2.23280469      0.35807743
+H      2.12913249     -2.08776644     -0.33095447
+H      3.77266759     -1.47699753     -0.56952254
+H      2.40893296     -0.66905901     -1.37939195
+H      2.83070608     -0.78099802      1.67690683
+H      1.43518704     -0.05628815      0.85857378
+H      1.47764154      2.12587974      1.14155261
+H      2.96036140      3.06944782      1.12494164
+H      2.20610269      1.01398175      3.31290912
+H      2.11109950      2.78106571      3.44587103
+H      3.69190307      1.99127546      3.30282392
+H      4.97337653      0.13962215      0.12427786
+H      4.91660052      0.67974263      1.80571333
+H      5.08520133      2.53737009     -0.65911221
+H      6.45577869      2.05231664      0.37375584
+H      5.17167958      3.07404559      1.03701311 
+
+22
+-2080.2259921769937 13.089103 14.55655 -8.4855 -6.434 -9.999 0.8998 -0.0069 3.203 9.2377 -2.901 8.05723021 10.836004442 0.129764695
+C      2.73740683     -0.32720791     -1.76913589
+C      3.95029077     -0.07749398     -0.87931390
+N      4.49290350      1.26454451     -1.10454053
+C      5.53302423      1.67813030     -0.14758993
+C      6.82121762      0.87468272     -0.35836271
+C      5.76511209      3.19578826     -0.27163067
+C      6.29820523      3.67316268     -1.62616708
+H      2.35139960     -1.34645875     -1.62867257
+H      3.00058981     -0.19582968     -2.82835424
+H      1.92037068      0.37285923     -1.53258447
+H      4.73234503     -0.81601203     -1.11788943
+H      3.67370153     -0.24567499      0.18691655
+H      3.71828290      1.93258564     -1.03374762
+H      5.19598422      1.49031703      0.89928057
+H      7.16530935      0.95164486     -1.39950180
+H      6.67624120     -0.18958453     -0.12806161
+H      7.61569513      1.24811388      0.30433034
+H      6.45650568      3.50058060      0.53128323
+H      4.80935370      3.70570937     -0.05398737
+H      7.30931395      3.28876910     -1.82274836
+H      6.35307190      4.77074154     -1.65545288
+H      5.64948505      3.33842215     -2.44715962 
+
+22
+-2081.416431837778 13.051024 14.39513 -8.3468 -6.3561 -9.835 0.8666 -0.0489 3.03 9.04906 -2.69192 7.754828356 11.910529111 0.167534528
+C      1.80873340      0.66495073      0.04299709
+C      2.99785763      1.47117730      0.55853064
+N      4.21003334      1.10580801     -0.17892186
+C      5.46747562      1.82228108      0.15166976
+C      5.87990121      1.47837381      1.59262779
+C      6.52929185      1.28142419     -0.81837964
+C      5.36290582      3.35461908     -0.01081021
+H      0.89936633      0.90120858      0.61338485
+H      2.00645784     -0.41306629      0.12498533
+H      1.60486455      0.89276734     -1.01532013
+H      3.15597727      1.23697816      1.62327214
+H      2.75051249      2.55286969      0.50540802
+H      4.02894729      1.23236779     -1.17988289
+H      5.17856951      1.89470101      2.32998598
+H      6.87372966      1.89373197      1.81361393
+H      5.91754561      0.38793689      1.72739429
+H      6.25647533      1.50645402     -1.86201734
+H      6.61868308      0.19084553     -0.71608426
+H      7.51012110      1.73840841     -0.62385812
+H      5.07598246      3.61921404     -1.04068599
+H      6.32715868      3.83989239      0.20410595
+H      4.61753993      3.78604627      0.67282466 
+
+20
+-1936.364293422169 13.15716 14.21696 -8.4363 -6.4908 -9.433 1.3733 0.0102 1.339 8.93523 -0.75377 6.5914181236 6.5914181236 0.392914157
+C      0.93893176      1.97648308      0.64132466
+C      2.44782195      2.13623154      0.79045121
+N      3.15093326      1.40518093     -0.27021351
+C      4.62481367      1.49931056     -0.22323680
+C      5.21692345      0.56491159     -1.28206639
+C      5.12946768      2.91252308     -0.39748540
+C      5.71232363      3.65492910      0.55142937
+H      0.41090393      2.49512387      1.45391255
+H      0.65330090      0.91523845      0.65726115
+H      0.58658997      2.40842020     -0.30894068
+H      2.77313320      1.70687442      1.75407984
+H      2.71016739      3.21366701      0.82536535
+H      2.82427332      1.73781954     -1.18465239
+H      4.92754910      1.14098952      0.77755342
+H      4.93145841      0.89299628     -2.29475466
+H      4.84250006     -0.45737727     -1.13648568
+H      6.31432781      0.55975786     -1.23031095
+H      4.95334613      3.35124120     -1.38958225
+H      5.90347457      3.25295359      1.55060199
+H      6.02485981      4.68379547      0.36511917 
+
+18
+-1780.1234189405309 12.588914 13.86995 -8.7712 -6.7896 -9.688 0.9672 0.0153 2.298 9.19463 -1.86739 4.3391256434 10.7394441452 0.662377511
+C      1.16179724     -0.15826514      0.06107108
+C      2.66478132     -0.40254804     -0.00651640
+N      3.39772921      0.72053138      0.59188473
+C      4.86184801      0.56130815      0.58610053
+C      5.52617765      1.84570986      1.10209886
+C      5.33034650     -0.61632098      1.34086020
+C      5.65787742     -1.59085080      1.98970040
+H      0.61406811     -0.98052689     -0.42017944
+H      0.89477369      0.78236605     -0.44058993
+H      0.81656180     -0.09765839      1.10501945
+H      2.98322041     -0.47738055     -1.06052735
+H      2.91148920     -1.37291565      0.47034621
+H      3.09359183      0.83233383      1.56543630
+H      5.15602177      0.41980989     -0.47018641
+H      5.24923347      2.02699922      2.15082704
+H      5.19168204      2.69757403      0.49620681
+H      6.61964372      1.76580454      1.05031774
+H      5.96044660     -2.44795050      2.55612017 
+
+20
+-1938.7550458616313 13.513064 15.04749 -8.5579 -6.5031 -9.1 0.9877 0.0827 1.445 8.58141 -0.81637 6.3573697514 6.3573697514 0.401722858
+C      0.97266480     -0.03523982     -0.17342932
+C      2.49327774     -0.00964656     -0.07150902
+N      3.00193318      1.36248912     -0.11149772
+C      4.45613377      1.44122623      0.06481317
+C      4.92597701      2.86541033      0.03695023
+C      5.60073531      3.45988941      1.03042859
+C      6.08549132      4.87734841      1.02305719
+H      0.59846148     -1.06851223     -0.18137429
+H      0.63731989      0.46708859     -1.09157933
+H      0.50959781      0.47865145      0.68361165
+H      2.93331076     -0.55212601     -0.92630816
+H      2.81661893     -0.55663447      0.84315609
+H      2.55664015      1.90778040      0.63340649
+H      4.91342838      0.88531709     -0.77511794
+H      4.81187853      0.94856574      0.99750461
+H      4.67045863      3.43467010     -0.86476540
+H      5.83204252      2.87074714      1.92741896
+H      5.80655095      5.39530108      0.09496239
+H      7.18186809      4.92295958      1.12519453
+H      5.67044073      5.44399442      1.87216729 
+
+22
+-2080.933876802175 13.243419 14.86829 -8.5388 -6.4507 -10.008 0.9354 0.0227 3.133 9.259 -2.83833 8.0968933314 11.0992763144 0.156511395
+C      1.72078611     -0.50728885     -0.65953095
+C      3.17628047     -0.12734344     -0.41153462
+N      3.33228128      1.32325262     -0.29016305
+C      4.70911680      1.73153539     -0.00807835
+C      4.85362321      3.25449190      0.12624419
+C      6.28035779      3.61782983      0.55231562
+C      4.45516058      3.98186864     -1.16262524
+H      1.61468164     -1.59495240     -0.77631778
+H      1.34195248     -0.01789025     -1.56777271
+H      1.08100601     -0.20082639      0.18309360
+H      3.79632284     -0.45704841     -1.26294583
+H      3.55994915     -0.67302566      0.48057155
+H      2.72976704      1.65415704      0.47104815
+H      5.34022999      1.38305374     -0.84695812
+H      5.11590874      1.24750077      0.90950842
+H      4.16656608      3.57955873      0.93228050
+H      7.00676453      3.31157279     -0.21813452
+H      6.56225891      3.12433752      1.49465487
+H      6.38671934      4.70336113      0.69350209
+H      5.15937930      3.73851038     -1.97480352
+H      4.47043274      5.07270263     -1.02261017
+H      3.45121499      3.68127227     -1.48923414 
+
+20
+-1938.6807530989167 13.234059 14.43136 -8.6276 -6.5768 -9.21 1.0229 -0.0084 1.453 8.58929 -0.82024 6.4549715306 6.4549715306 0.424722238
+C      1.29406220     -0.30516148     -0.12207107
+C      2.78373719      0.00963844     -0.04392710
+N      3.01889478      1.45464392     -0.03379590
+C      4.43959285      1.80350829      0.08765943
+C      4.64866305      3.30136671      0.05837880
+C      4.18989993      4.01547569     -1.18363367
+C      5.22022367      3.93612399      1.09325763
+H      1.12651293     -1.39051589     -0.16368465
+H      0.84707304      0.15350709     -1.01522069
+H      0.75993080      0.07911359      0.76096076
+H      3.29761042     -0.40279770     -0.92925293
+H      3.22841697     -0.50109074      0.83971236
+H      2.51719501      1.86797494      0.75890542
+H      4.95710976      1.35123330     -0.77917970
+H      4.91547756      1.38067191      0.99849341
+H      4.75181254      3.65940556     -2.06331376
+H      4.32657531      5.10139144     -1.10122324
+H      3.13071216      3.79725568     -1.38401605
+H      5.54659385      3.39219826      1.98250086
+H      5.38738598      5.01521698      1.07970009 
+
+18
+-1784.3047505698494 13.125214 15.24212 -8.6747 -6.5899 -9.174 0.8863 -0.0135 2.522 8.78676 -2.03106 4.1774355008 10.2957230484 0.711356634
+C      1.15411198     -0.65801890     -0.13061858
+C      2.66338637     -0.46584491     -0.21685600
+N      3.03485821      0.91964453      0.07580864
+C      4.49258422      1.11358681      0.07592219
+C      4.87293099      2.43979971      0.55011076
+C      5.18818389      3.53801386      0.96531933
+C      5.56644705      4.85867680      1.44591141
+H      0.87776916     -1.69050694     -0.38590889
+H      0.63582313      0.02436974     -0.81840591
+H      0.78678900     -0.45848020      0.88809420
+H      3.00895343     -0.69395914     -1.24034605
+H      3.17413562     -1.19411244      0.45338312
+H      2.67473687      1.18165659      0.99839522
+H      4.85202746      0.97663847     -0.96016120
+H      5.02440916      0.34822828      0.68689533
+H      4.68416723      5.50767105      1.54983613
+H      6.26041768      5.35136426      0.74893536
+H      6.05929854      4.80386243      2.42792496 
+
+20
+-1935.5422128107896 13.365057 14.8588 -8.6531 -6.5568 -9.528 0.9664 0.0505 1.358 8.99874 -0.79482 6.6830189804 6.6830189804 0.466629274
+C      0.98307889     -0.05508506     -0.00549649
+C      2.50680646     -0.05251795      0.03858193
+N      3.03729140      1.30767230     -0.07444064
+C      4.49236178      1.36659530      0.06223186
+C      4.99522061      2.81561475      0.01249264
+C      6.49211100      2.91045983      0.04153126
+C      7.20989464      3.52080390      0.99141368
+H      0.59279510     -1.08132652      0.04006727
+H      0.62019780      0.41763563     -0.92889260
+H      0.56123011      0.49799193      0.84849034
+H      2.90430558     -0.63598762     -0.80981690
+H      2.85523617     -0.56864522      0.96137315
+H      2.61340849      1.88567413      0.65845588
+H      4.93273001      0.79777573     -0.77568917
+H      4.86048143      0.88491017      0.99525528
+H      4.57255378      3.38476206      0.85820320
+H      4.60584654      3.27459363     -0.91285350
+H      7.01850780      2.42640402     -0.79031320
+H      6.72775457      4.01465959      1.83947790
+H      8.29979784      3.55141940      0.95377811 
+
+18
+-1779.795817445643 12.835528 14.51664 -8.7986 -6.7155 -9.847 0.9074 -0.0451 2.357 9.43687 -1.9553 4.3715231852 10.653931001 0.970747308
+C      0.93069724     -0.16154975      0.28784688
+C      2.44492634     -0.28499281      0.16598493
+N      3.07327658      1.03282537      0.03337094
+C      4.53172598      0.96694418     -0.00870274
+C      5.12557601      2.37684308     -0.17478367
+C      6.57937742      2.37456391     -0.26262604
+C      7.79115294      2.35211019     -0.33403047
+H      0.46302148     -1.15376963      0.35254889
+H      0.51242910      0.36737872     -0.57985433
+H      0.64937613      0.39635993      1.19488106
+H      2.69988297     -0.86603437     -0.73672805
+H      2.84475617     -0.85987127      1.03077510
+H      2.78746831      1.61149680      0.83025613
+H      4.82315936      0.35280878     -0.87612767
+H      4.98036091      0.48524387      0.88652117
+H      4.81684292      3.00761467      0.67768148
+H      4.69250223      2.83921445     -1.07666837
+H      8.85961793      2.33719388     -0.40123525 
+
+21
+-1952.6900877356113 12.905971 14.6407 -8.5957 -6.4705 -10.05 0.9675 0.0079 3.239 9.30825 -2.99244 8.1328492714 11.8680391088 0.197185187
+C      1.01128292     -0.07296087     -0.00821795
+C      2.53453075     -0.05000529      0.05018890
+N      3.05162926      1.31459603     -0.06176990
+C      4.50960466      1.38530891      0.04110829
+C      5.00293103      2.83000292     -0.00129108
+C      6.52662533      2.94328111      0.00067674
+N      6.93924013      4.35550993      0.03862789
+H      0.63510761     -1.10441803      0.04266877
+H      0.65109989      0.38610281     -0.93956632
+H      0.57265661      0.48181152      0.83600310
+H      2.94581451     -0.62998370     -0.79401047
+H      2.88123539     -0.56182448      0.97633072
+H      2.63966308      1.88577518      0.68305974
+H      4.93010268      0.82445659     -0.81267765
+H      4.89714317      0.88857704      0.96029821
+H      4.61145961      3.39070740      0.86455591
+H      4.59392609      3.31420351     -0.90452163
+H      6.92962503      2.38065815     -0.86762881
+H      6.92831882      2.45610924      0.90493589
+H      6.64910390      4.81979384     -0.82672037
+H      7.95937953      4.41960820      0.06421002 
+
+15
+-1541.0814186435007 12.909601 12.38923 -8.2267 -6.428 -8.53 0.9834 -0.624 0.514 7.73006 0.05964 4.875005534 5.2241873058 0.335962665
+C      2.39980982     -0.97928311      0.82229937
+C      2.07423410      0.20323886      0.27785341
+N      2.95165392      1.29408623      0.11819329
+C      2.44796864      2.60462464      0.12176955
+C      1.27945296      2.98983704      0.65994801
+C      4.32999955      1.06918989     -0.06979391
+N      5.30043450      1.89473918      0.05572077
+H      1.67275043     -1.78879457      0.81808094
+H      3.37088280     -1.17105699      1.27790194
+H      1.07320931      0.39534351     -0.11630434
+H      3.08748194      3.31477522     -0.40697132
+H      0.64298636      2.31288084      1.22868994
+H      0.94594776      4.01783399      0.53379352
+H      4.53348748      0.04112448     -0.39343628
+H      4.98667045      2.80332077      0.42515509 
+
+21
+-1958.3443168282204 12.5629 13.75697 -9.0787 -6.8162 -10.493 0.9041 -0.0586 3.168 9.8207 -2.89748 8.5675937818 10.5511838028 0.100601062
+C      0.82371565     -0.34509672     -0.24486809
+C      2.32356384     -0.64481672     -0.38375448
+N      2.69035090     -1.29369746     -1.65896673
+C      3.15236888      0.63451273     -0.19225289
+C      4.67437252      0.44378769     -0.24385752
+C      5.25313327     -0.44528573      0.86119059
+N      4.91468617      0.06573761      2.20197785
+H      0.58655878      0.08575014      0.74066487
+H      0.22536925     -1.26125400     -0.36531629
+H      0.49861976      0.37415998     -1.01507717
+H      2.60136184     -1.35422823      0.41581278
+H      2.39753025     -0.69031364     -2.43581551
+H      2.15545139     -2.15989476     -1.76665468
+H      2.87476878      1.08028481      0.77516812
+H      2.85739765      1.36022594     -0.97310700
+H      5.15577989      1.43697670     -0.18988718
+H      4.95727776      0.00652905     -1.21375172
+H      6.34351040     -0.54845311      0.68543425
+H      4.83038892     -1.45922454      0.77431746
+H      5.40144965      0.95217817      2.36417120
+H      5.25805445     -0.57863791      2.91731213 
+
+15
+-1570.1888141839988 11.946421 12.30741 -8.2464 -6.3133 -8.446 0.8849 -0.6429 0.166 7.90237 0.41096 4.5158304906 4.5158304906 0.264629893
+C      0.94095755     -0.16090174     -0.01161654
+C      2.43772181     -0.03688039     -0.00717420
+N      3.09885669     -1.24342543     -0.11711632
+C      3.11594776      1.15959910      0.03186364
+C      2.50825734      2.54236197      0.01797314
+C      4.53408667      1.08887827      0.06380014
+N      5.70369502      0.98872909      0.09746164
+H      0.43838645      0.79331131      0.16766435
+H      0.61515888     -0.86441143      0.77107249
+H      0.59432709     -0.56035842     -0.97715923
+H      2.62308028     -2.06706752      0.23658136
+H      4.10722264     -1.23706416      0.02822592
+H      1.41340258      2.51023087      0.00474606
+H      2.83346008      3.10781626     -0.86862173
+H      2.81754916      3.11930222      0.90244928 
+
+19
+-1815.288288714606 12.940209 14.01387 -9.1517 -6.9404 -9.093 0.9613 -0.1214 1.451 8.54832 -0.80273 6.3617588558 6.3617588558 0.406321414
+C      2.16360904     -0.62155014      1.39190702
+C      2.58833302     -0.11870178     -0.00110531
+N      1.53241018     -0.23344545     -1.03120894
+C      3.05220575      1.31300089      0.07370083
+C      4.30588124      1.73321204     -0.13115133
+C      4.75713260      3.16129943     -0.03542529
+N      5.88194915      3.28057585      0.91079603
+H      2.99800307     -0.57338020      2.10790466
+H      1.81693517     -1.66504912      1.33816089
+H      1.33792869     -0.00992809      1.79014440
+H      3.43644857     -0.73216584     -0.35096954
+H      0.72440222      0.33161495     -0.74828222
+H      1.19602362     -1.20059238     -1.05958318
+H      2.27841925      2.05006307      0.33410536
+H      5.09007656      1.00744034     -0.37731181
+H      3.88487805      3.80481880      0.19902651
+H      5.13300670      3.48286574     -1.02282467
+H      5.54815294      3.09907261      1.86097815
+H      6.24366418      4.23674928      0.90553845 
+
+19
+-1815.1661445810394 12.401307 13.28813 -8.9573 -6.713 -9.154 0.8758 -0.1585 1.485 8.53251 -0.82634 6.428240149 6.428240149 0.385496418
+C      0.94854484     -0.14635586     -0.01801502
+C      2.44889365      0.14261377     -0.14073156
+N      3.06222235     -0.37894152     -1.38642323
+C      2.82403443      1.61381072     -0.00848769
+C      1.94767742      2.61998075     -0.13640988
+C      4.29381938      1.85227484      0.26679061
+N      4.69282774      3.25867934      0.12125021
+H      0.53652134      0.22869935      0.93087227
+H      0.77177714     -1.23111877     -0.06116619
+H      0.38462192      0.31438933     -0.84354096
+H      2.96098849     -0.38937488      0.68448844
+H      2.58369139      0.04714386     -2.18655466
+H      2.88901984     -1.38580743     -1.45348968
+H      0.88800292      2.44519577     -0.32253550
+H      2.28406949      3.65211387     -0.03193624
+H      4.86453289      1.14607718     -0.36603881
+H      4.49226565      1.55639669      1.31352157
+H      4.66589440      3.51663021     -0.86981948
+H      5.66544473      3.36611278      0.41604582 
+
+21
+-1957.6300545595066 12.525676 13.71103 -8.8208 -6.5838 -10.255 0.8806 -0.0507 2.983 9.79103 -2.6673 8.407242688 10.8480186854 0.096567054
+C      1.09362236     -0.24294233      0.21115667
+C      2.62128626     -0.09788307      0.14712957
+N      3.21704354     -0.80145465     -1.01000677
+C      3.08814468      1.37693916      0.13845735
+C      2.41792467      2.23384412      1.21913033
+C      4.62114440      1.46886116      0.25947080
+N      5.09326631      2.83344103     -0.05038731
+H      0.66844835      0.17330896      1.13574602
+H      0.81113672     -1.30541259      0.16402720
+H      0.61815784      0.26941322     -0.64175752
+H      3.04924164     -0.57324810      1.05064315
+H      2.76995989     -0.46040038     -1.86822894
+H      2.98465016     -1.79683809     -0.95655694
+H      2.80965760      1.79314561     -0.85235143
+H      2.53269166      1.76839933      2.21257058
+H      1.34525429      2.38359760      1.03670806
+H      2.90324043      3.21873561      1.24955782
+H      5.07162342      0.68336196     -0.37057082
+H      4.89922406      1.25226625      1.30618290
+H      5.03247578      2.98689422     -1.06129441
+H      6.08646595      2.91096097      0.18040370 
+
+21
+-1961.7000991402906 12.405875 13.31337 -8.7978 -6.6692 -10.334 0.7941 -0.165 2.781 9.70551 -2.4356 8.2413370214 11.3597585018 0.107699329
+C      0.88091057     -0.11930490      0.09416325
+C      2.40280606     -0.01303023     -0.00560905
+N      2.86977786     -0.86359000     -1.10711519
+C      2.95247731      1.45942527     -0.04961021
+C      2.49059273      2.21151473     -1.30355987
+C      2.52577048      2.23273653      1.21249959
+N      4.42860806      1.32287521     -0.13702315
+H      0.48347990      0.38627719      0.98340604
+H      0.59675559     -1.17885916      0.14810774
+H      0.38917306      0.31198156     -0.79257073
+H      2.82493284     -0.44489792      0.92464598
+H      3.84282561     -0.60622239     -1.30580898
+H      2.33535230     -0.64934750     -1.95424441
+H      2.79757718      1.68194003     -2.21649409
+H      2.93808159      3.21734246     -1.33326743
+H      1.39954312      2.33903773     -1.31730618
+H      2.79986322      1.67571237      2.12307772
+H      1.44245857      2.42104619      1.24495141
+H      3.03276580      3.20908661      1.25091302
+H      4.79070446      0.98153938      0.75932632
+H      4.84987370      2.24520687     -0.27780178 
+
+17
+-1659.8061070884812 12.548994 14.13221 -9.2526 -6.9866 -9.216 0.8155 -0.1798 2.426 8.79125 -1.98237 4.1772619204 10.3265211708 0.719679996
+C      0.96058611     -0.03172430      0.01306230
+C      2.50312820     -0.03107481     -0.04434967
+N      3.08510755     -0.76504972     -1.18885601
+C      3.01224816      1.34286061     -0.02590067
+C      3.38931099      2.49863058     -0.00210690
+C      3.87228249      3.87586227      0.00223716
+N      2.76320888      4.84571877     -0.11480603
+H      0.59643106      0.49161018      0.90879820
+H      0.58588718     -1.06573558      0.03714490
+H      0.54477599      0.47193084     -0.87173743
+H      2.87660151     -0.53496703      0.86654393
+H      2.80743428     -0.29850528     -2.05775144
+H      2.67638883     -1.70353562     -1.22045571
+H      4.64386828      3.96883802     -0.78995731
+H      4.38735655      4.06947113      0.95880166
+H      2.25850026      4.67109521     -0.98792034
+H      3.15424368      5.78833474     -0.18991665 
+
+21
+-1959.6308764566488 12.630363 13.75563 -9.1427 -6.9449 -10.501 0.8489 -0.0919 3.039 10.22798 -2.76952 8.5375147782 11.4984740386 0.117518031
+C      2.96491199     -0.84346893      1.40142556
+C      2.61258060     -0.23898721      0.03408078
+N      1.16250197     -0.19207498     -0.24206326
+C      3.16428784      1.18283728     -0.14362704
+C      4.68588583      1.35994516     -0.03926996
+C      5.45061395      0.52943290     -1.08074520
+N      4.97137413      2.80754886     -0.10357788
+H      4.05147488     -0.95364494      1.54215944
+H      2.51659891     -1.84249490      1.51039771
+H      2.58232483     -0.20866811      2.21721758
+H      3.04595215     -0.88386319     -0.75089696
+H      0.70613473      0.39728821      0.46265514
+H      0.76188471     -1.12681557     -0.12318423
+H      2.70121978      1.84388268      0.61010322
+H      2.82779187      1.54795738     -1.13002181
+H      5.00857030      1.03568093      0.96601257
+H      5.12924040      0.79441008     -2.10122279
+H      5.29432749     -0.55258657     -0.94899528
+H      6.53248297      0.71646481     -1.00663487
+H      4.69054205      3.16392577     -1.02356640
+H      5.98224863      2.95919036     -0.04438632 
+
+17
+-1683.5858054082526 12.686487 12.69922 -8.1545 -6.3222 -8.625 1.0812 -0.4889 0.628 7.86642 -0.09291 4.9189089766 5.1313341904 0.350310137
+C      1.85699019     -0.22230083      1.44624103
+C      2.29986227      0.23093259      0.05366858
+N      2.91432625      1.56285056      0.03455892
+C      2.11151401      2.69789506     -0.01530847
+C      0.76608829      2.74810039      0.00873980
+C      4.31100566      1.64986825      0.10639248
+N      5.08689532      2.66019817      0.25105233
+H      1.39034503     -1.21623463      1.38876205
+H      1.12934956      0.47342364      1.88425254
+H      2.71748837     -0.28703396      2.12662042
+H      1.45045215      0.24134326     -0.64665212
+H      3.03875765     -0.47401339     -0.35494796
+H      2.67929088      3.62476301     -0.11304075
+H      0.12968868      1.87134010      0.11616829
+H      0.27474949      3.71385296     -0.08603903
+H      4.77400159      0.65779230      0.00851052
+H      4.57332461      3.54380254      0.36879137 
+
+21
+-1945.2320818924152 12.8429 14.07324 -8.2186 -6.2357 -9.707 0.9441 -0.001 3.403 8.8911 -3.14533 7.7249725272 12.2024417494 0.151711315
+C      0.77132497     -0.44970870      0.28819739
+C      1.91482526     -0.14395576      1.25370393
+N      2.72837415      1.01294545      0.85342689
+C      1.97064547      2.25723561      0.96722374
+C      3.96814700      1.10028164      1.63345075
+C      5.00363196      0.03087002      1.27002296
+N      6.25987736      0.30867020      1.98368787
+H      0.28092544     -1.39087627      0.57528004
+H      1.15291805     -0.55603831     -0.73734595
+H     -0.00036116      0.33234203      0.28846751
+H      2.57639547     -1.02101011      1.29310197
+H      1.51160319     -0.00499529      2.28497773
+H      1.09063446      2.23236954      0.31127988
+H      2.59937546      3.10038536      0.64821108
+H      1.62146685      2.45855382      2.00615383
+H      3.78356613      1.07132784      2.73100976
+H      4.41590704      2.08581238      1.41966418
+H      5.09264289     -0.00258380      0.16638185
+H      4.65916711     -0.96263014      1.59644007
+H      6.70801983      1.13910479      1.58706051
+H      6.91756310     -0.46103032      1.84611402 
+
+19
+-1824.6128593180024 12.171979 13.01267 -8.1108 -6.3078 -9.159 0.7738 -0.1648 1.162 8.26319 -0.51698 4.9520504344 12.1434864064 0.239365388
+C      2.63318630     -0.47644185      1.54235336
+C      2.79960885      0.02274881      0.10195095
+N      3.30004649      1.39187089     -0.01254676
+C      2.30537881      2.44009822      0.18450697
+C      4.66776682      1.63748196      0.11416647
+C      5.10019123      3.08678447      0.07167106
+N      5.60478543      0.74974704      0.22502226
+H      2.28419463     -1.51906136      1.54899093
+H      1.89485286      0.12692833      2.08939057
+H      3.58445538     -0.42896364      2.08983361
+H      1.83155051     -0.01450462     -0.42236881
+H      3.47508746     -0.64041044     -0.46017333
+H      1.38613285      2.16951737     -0.35554657
+H      2.65807920      3.39410046     -0.21971372
+H      2.04160590      2.59367961      1.24780010
+H      4.77077130      3.58613258     -0.85148932
+H      6.19326509      3.10287273      0.11433563
+H      4.70421946      3.65913035      0.92356539
+H      5.22730143     -0.20438091      0.27089121 
+
+17
+-1683.5473484780177 11.259525 12.35028 -8.975 -7.0015 -10.072 0.8199 -0.1662 1.387 9.2562 -1.00429 5.376776876 11.8022149414 0.178650866
+C      3.48650653     -1.13435193      0.20730032
+C      3.30914823     -0.05390929      1.26924040
+N      3.20618708      1.30655296      0.71168084
+C      2.82382090      2.27611209      1.74070563
+C      4.40042607      1.73283411     -0.01211686
+C      5.62924007      1.79435005      0.81476139
+N      6.55024436      1.80947855      1.53178867
+H      3.40278499     -2.12608850      0.67251976
+H      4.47319874     -1.09249821     -0.27565878
+H      2.71220244     -1.05096824     -0.56861769
+H      4.12514156     -0.12166345      2.02085262
+H      2.36687125     -0.23102071      1.81019496
+H      1.86084220      1.97365710      2.17410734
+H      2.69534893      3.26759641      1.28317799
+H      3.56420140      2.36289693      2.56228784
+H      4.22363440      2.73215501     -0.43867636
+H      4.59069084      1.05400711     -0.85593804 
+
+19
+-1823.5343990359115 12.332331 13.13005 -8.1548 -6.3302 -9.084 0.7634 -0.1794 1.105 8.16484 -0.52598 5.0397333336 12.300527074 0.196867477
+C      1.39036597     -0.34898677     -0.22785876
+C      2.59043836      0.41485992     -0.79487009
+N      2.82660391      1.70813424     -0.15736989
+C      1.98989911      2.83923901     -0.54387670
+C      2.61370339      3.71564953     -1.63502492
+C      3.81692487      1.84874792      0.79135237
+N      4.18328987      2.87817224      1.47586013
+H      1.25994023     -1.30448370     -0.75664300
+H      0.45773850      0.22293149     -0.33770045
+H      1.53464186     -0.56060533      0.84079435
+H      2.46371855      0.57006555     -1.88019268
+H      3.50500001     -0.18574611     -0.67599814
+H      1.77494969      3.44121514      0.35491344
+H      1.02027629      2.44355057     -0.88269048
+H      3.57851746      4.12471856     -1.30606444
+H      1.94790771      4.55549595     -1.88101054
+H      2.78625941      3.13828453     -2.55441536
+H      4.35908842      0.90585478      0.96156790
+H      3.62420639      3.71133248      1.24609727 
+
+15
+-1560.0862050072005 12.608999 12.90019 -8.2513 -6.3713 -8.657 0.901 -0.6786 0.055 8.03594 0.47365 4.659455873 4.659455873 0.384580299
+C      2.63667707     -0.61264985     -1.66431249
+C      2.68196791     -0.27151623     -0.17354347
+N      3.24106884      1.04492170      0.12092576
+C      4.57763390      1.25917103      0.26683873
+C      5.20733458      2.47003471      0.26159427
+C      6.59563561      2.58503223      0.49128016
+N      7.74825697      2.70846643      0.67572942
+H      2.20720071     -1.61357003     -1.81503657
+H      3.64484111     -0.60018746     -2.10143258
+H      2.01597785      0.10693720     -2.21767970
+H      3.28728901     -1.01179500      0.37103984
+H      1.67113232     -0.31523413      0.26011625
+H      2.66738743      1.84772104     -0.12938802
+H      5.16389412      0.35210109      0.43672041
+H      4.65405259      3.39535727      0.08559800 
+
+21
+-1955.7547196789963 12.80856 14.02523 -8.2755 -6.2476 -9.87 0.8621 -0.0844 3.262 9.14437 -2.96302 8.0172199278 12.3320691124 0.158175346
+C      1.94452316      0.30404246     -1.75704032
+C      3.22401651      0.22065590     -0.93091906
+N      4.02610852      1.43376212     -1.08881429
+C      5.19937384      1.50945294     -0.21596552
+C      6.34407014      0.63298336     -0.72906825
+C      5.64085278      2.97711186     -0.12842482
+N      4.54839908      3.81897465      0.38731882
+H      1.34902728     -0.61351544     -1.65034815
+H      2.17876353      0.44811880     -2.82120161
+H      1.31810366      1.14888628     -1.43070896
+H      3.81715611     -0.64517453     -1.26880629
+H      2.96686864      0.02348043      0.13586001
+H      3.44646257      2.24921332     -0.85548252
+H      4.94878181      1.17469277      0.82188388
+H      6.62666849      0.93743824     -1.74806117
+H      6.05645804     -0.42677231     -0.75969201
+H      7.22493944      0.71817874     -0.07517418
+H      5.87869850      3.32314494     -1.14763402
+H      6.57213597      3.03148545      0.46812243
+H      4.75571087      4.80712608      0.23443579
+H      4.45613107      3.69400393      1.39867023 
+
+17
+-1691.5521533137548 11.421513 12.73415 -9.345 -7.3339 -10.438 0.8889 -0.2018 1.419 9.68511 -1.005 5.3581665774 12.8407216774 0.186061398
+C      1.04844776     -0.00021148      0.28226120
+C      2.54749456     -0.12216395      0.03973599
+N      3.22934998      1.13329063      0.39038237
+C      4.68286383      1.10609162      0.22277838
+C      5.28980360      2.48768029      0.49738209
+C      5.33756320      0.07496699      1.06683850
+N      5.78337527     -0.74747494      1.76590067
+H      0.53394928     -0.92289073     -0.01883376
+H      0.62551320      0.83899012     -0.28723103
+H      0.83164305      0.16505779      1.34901597
+H      2.74007200     -0.31162812     -1.02993887
+H      2.94985925     -0.99157956      0.59780322
+H      3.01330507      1.37511847      1.36336417
+H      4.88650967      0.82831571     -0.82654459
+H      5.10623153      2.79107169      1.53758839
+H      4.82306636      3.22038504     -0.17208582
+H      6.37438239      2.47894042      0.33166311 
+
+21
+-1954.4848340319868 12.73357 14.00474 -8.5174 -6.4096 -9.975 0.9183 -0.0343 3.242 9.29284 -2.95088 8.1646144846 10.8794491364 0.158894964
+C      1.07145562     -0.13825866      0.03031918
+C      2.58731736     -0.03462542     -0.09382773
+N      3.03906070      1.34959696      0.07033718
+C      4.49845525      1.47853596      0.06631266
+C      4.93320065      2.95448501      0.04304839
+C      4.70371971      3.59998047     -1.33025097
+N      4.26852822      3.66340234      1.15797854
+H      0.73539220     -1.17167677     -0.13398155
+H      0.57611398      0.51236654     -0.70402781
+H      0.73423805      0.16368145      1.03421629
+H      2.90234423     -0.37279315     -1.09588024
+H      3.06822417     -0.72583996      0.63423938
+H      2.70772075      1.68652814      0.98037479
+H      4.88268258      0.97734476     -0.83804045
+H      4.96720539      0.97992280      0.94132562
+H      6.01397256      2.96693603      0.26562032
+H      3.64019342      3.53558345     -1.60492859
+H      5.28706682      3.09377347     -2.11549359
+H      5.00002399      4.65940995     -1.32025251
+H      3.31499620      3.90322422      0.86706918
+H      4.73584817      4.55821242      1.32009189 
+
+17
+-1691.1345677713775 11.657644 13.26407 -9.2331 -7.1089 -10.48 0.7223 -0.2896 1.459 11.39709 -1.08236 5.3859146442 11.9261761442 0.302730766
+C      1.06351058     -0.27131915      0.09267688
+C      2.58687318     -0.27048524      0.06354684
+N      3.11247441      1.09978422      0.07665612
+C      4.56923919      1.14941527      0.12089775
+C      5.04296289      2.61122957      0.03046830
+C      6.49658760      2.72812512      0.02332458
+N      7.66073473      2.80145465      0.01533579
+H      0.67538987     -1.29772245      0.04087087
+H      0.65783950      0.29963665     -0.75391000
+H      0.68293936      0.17939403      1.02256329
+H      2.94288187     -0.75156229     -0.86307332
+H      2.97885569     -0.88155099      0.90566412
+H      2.73244733      1.58708578      0.89483464
+H      4.95835593      0.59494626     -0.74768499
+H      5.00927937      0.67610114      1.02397488
+H      4.65520840      3.19213202      0.88350264
+H      4.63742008      3.07181543     -0.88327840 
+
+21
+-1946.1394979156025 12.955541 14.65844 -8.5474 -6.4022 -10.061 0.9781 0.047 3.374 9.33735 -3.14357 8.173219113 11.855913278 0.214530215
+C      1.00634572     -0.04896981     -0.00830454
+C      2.53014868     -0.04612023      0.03335272
+N      3.05915577      1.31674336     -0.05452137
+C      4.51707169      1.37106799      0.05118931
+C      5.01975893      2.81146289     -0.01632769
+N      6.47840652      2.86404667      0.07821758
+C      6.99594365      4.22914233      0.02009703
+H      0.61622228     -1.07575855      0.02599895
+H      0.64236127      0.43484061     -0.92551766
+H      0.58523700      0.49414453      0.85247853
+H      2.92638644     -0.61206803     -0.82749803
+H      2.88154673     -0.58055906      0.94466712
+H      2.65308444      1.87194369      0.70592366
+H      4.93393340      0.80118849     -0.79957991
+H      4.91227133      0.89482950      0.97412418
+H      4.61139831      3.37969421      0.83973394
+H      4.61866350      3.29296045     -0.93446747
+H      6.87632709      2.32506142     -0.69588902
+H      6.68531097      4.77602474      0.92412730
+H      6.64830914      4.81253902     -0.85925002
+H      8.09452713      4.20701579      0.00793540 
+
+19
+-1827.7543900092048 12.642063 13.69386 -8.1221 -6.2156 -9.092 0.7954 -0.1136 1.176 8.33625 -0.48989 4.6060055084 5.752826414 0.194562834
+C      2.32273454     -0.30092914     -0.26302550
+C      3.84745671     -0.37712934     -0.29968873
+N      4.43006044      0.88820282      0.12359922
+C      5.71420363      1.00726052      0.13499145
+C      6.71012252     -0.07690985     -0.21698063
+N      6.27481494      2.23374863      0.44974171
+C      5.43880467      3.30909419      0.95814146
+H      1.87227401     -1.25170642     -0.58414894
+H      1.96231732      0.49804870     -0.92656464
+H      1.97278918     -0.07455850      0.75422679
+H      4.17034504     -0.64471440     -1.32645350
+H      4.18254267     -1.21061208      0.35113230
+H      6.56935922     -0.95233672      0.43358999
+H      7.75039781      0.26218589     -0.12734565
+H      6.55265013     -0.41621110     -1.25140288
+H      7.23748863      2.21240898      0.76942841
+H      4.65058516      3.53461076      0.22816230
+H      6.06064582      4.20065238      1.10633980
+H      4.94060757      3.04241468      1.90602703 
+
+19
+-1819.6442893600463 12.881449 13.66932 -7.8785 -6.0164 -8.793 0.8606 -0.0402 1.162 7.93898 -0.53156 4.7977374588 5.5056479244 0.223763044
+C      2.05661498      0.01999548      1.74434552
+C      2.49153484      0.17845932      0.28273050
+N      3.04194327      1.48657510     -0.05135193
+C      2.13951372      2.62625469     -0.09711051
+C      4.39325017      1.70785384      0.07235763
+N      4.93016596      2.87408756      0.08136755
+C      6.37819589      2.92590764      0.10923481
+H      1.65395861     -0.98908943      1.91514635
+H      1.27263039      0.74232848      2.01239927
+H      2.90734538      0.17111619      2.42444531
+H      1.63481579     -0.01168127     -0.38607779
+H      3.25607647     -0.57519927      0.03706507
+H      1.22310307      2.34145670     -0.63373326
+H      2.64284460      3.44542869     -0.62417921
+H      1.86590552      2.99376554      0.90783042
+H      4.97996517      0.76874757      0.13240202
+H      6.71692582      3.53699672      0.96216355
+H      6.75846349      3.41876045     -0.80123392
+H      6.86286688      1.93005600      0.18462862 
+
+19
+-1795.1673672904124 12.958864 13.35076 -7.8711 -6.0441 -8.662 1.1021 -0.199 0.789 7.95424 -0.21899 4.4579290286 5.1248497226 0.289928611
+C      2.61097134     -0.62383747     -0.20468525
+C      1.60820961      0.40302073      0.30648207
+N      2.25458944      1.60890935      0.85071503
+C      1.45555982      2.84138366      0.77601639
+C      1.42116150      3.43969311     -0.63004067
+N      3.03929179      1.31944979      1.91893521
+C      3.46187295      2.20622893      2.75546680
+H      2.08258142     -1.51182656     -0.57964810
+H      3.28615267     -0.93344153      0.60266477
+H      3.21680821     -0.20558984     -1.02109721
+H      0.95182524     -0.04936780      1.07555212
+H      0.95916289      0.73287343     -0.51685228
+H      1.89127790      3.57815040      1.46016798
+H      0.42811468      2.64226855      1.14106139
+H      2.43795996      3.67064828     -0.97589536
+H      0.83335805      4.36904898     -0.63011512
+H      0.96116358      2.75887511     -1.35982814
+H      4.12863264      1.84451440      3.53938834
+H      3.23091632      3.27972849      2.73360203 
+
+19
+-1802.9925577328072 12.035677 13.16543 -8.976 -6.8872 -10.468 0.948 0.0151 3.319 9.81999 -3.3229 8.652920947 12.6168277586 0.179388734
+C      2.84293586     -1.32021348      0.92589804
+C      2.47146630     -0.20520142     -0.05769533
+N      1.02251062      0.02877782     -0.20934387
+C      3.12340237      1.13274886      0.32048146
+N      4.58522643      1.04356667      0.32859674
+C      5.23236731      1.36664437     -0.95085423
+C      5.28554245      2.32387194      0.19279805
+H      3.93414608     -1.42564487      1.00826550
+H      2.41911493     -2.28346640      0.60531519
+H      2.44955004     -1.09216898      1.93035542
+H      2.84854607     -0.47950860     -1.05961875
+H      0.61455948      0.21106371      0.71411302
+H      0.57504751     -0.83078768     -0.53879855
+H      2.80117955      1.41985047      1.33821967
+H      2.75098471      1.91088979     -0.37735442
+H      4.58492224      1.63779820     -1.79197786
+H      6.10527901      0.76311557     -1.20892946
+H      6.19775863      2.42983362      0.78409275
+H      4.67765041      3.23098041      0.10610661 
+
+17
+-1669.2070503795799 12.185943 12.99317 -8.8438 -6.9193 -9.64 1.237 -0.0766 1.031 9.03522 -0.38512 4.7832434954 6.1751475272 0.22570856
+C      2.22249322     -0.11366671     -1.37078384
+C      3.32061025     -0.08713866     -0.30678157
+N      4.08669718      1.14908838     -0.38103623
+C      4.16371879      1.85317040      0.68115182
+N      4.95554409      3.00234922      0.78317085
+C      5.09462178      3.88531557     -0.36624085
+C      4.31923376      4.32536001      0.83997031
+H      1.69483551     -1.07814875     -1.35881479
+H      2.65310672      0.03752962     -2.37068761
+H      1.48657724      0.68432619     -1.19365865
+H      4.01737406     -0.92349224     -0.49040123
+H      2.88002875     -0.24825489      0.69962235
+H      3.67172795      1.58557359      1.63648551
+H      4.53542501      3.60762734     -1.26279929
+H      6.09876119      4.28073233     -0.53171815
+H      4.75935272      5.02841617      1.55027119
+H      3.23065178      4.36641246      0.74197019 
+
+13
+-1387.5132411598279 12.641768 12.45594 -8.4734 -6.6108 -8.727 0.1858 -1.3836 0.102 8.09674 0.39049 4.1546964684 5.2364743184 0.276019232
+C      0.79811346      0.06043256      0.06812765
+C      2.15133344      0.02365823      0.01979447
+N      2.95164220     -1.13717591     -0.02175584
+C      2.51464345     -2.45158185     -0.00947749
+N      3.22482751     -3.51996286     -0.04233137
+C      2.91603185      1.23085733      0.00607937
+C      3.60528876      2.23199910     -0.00723697
+H      0.30078820      1.02548387      0.09766701
+H      0.17933900     -0.83340564      0.07908594
+H      3.95588982     -0.97678898     -0.05773582
+H      1.42469564     -2.55260434      0.03389380
+H      4.23384449     -3.30629556     -0.08197187
+H      4.19494218      3.12612405     -0.01606888 
+
+15
+-1548.0128033468557 13.162834 12.74592 -8.305 -6.4668 -8.787 0.2378 -1.3908 -0.215 7.93826 0.72869 4.6668454386 5.7211107952 0.511007919
+C      1.13736648     -0.48610179      0.07011407
+C      2.47151540     -0.32082171      0.06240637
+N      3.12526160      0.89949109     -0.01618697
+C      4.50514954      1.10282143     -0.04363009
+N      5.43565967      0.20307072     -0.02819540
+C      4.95313737      2.51200452     -0.09448187
+C      4.19765826      3.61940089     -0.09534407
+H      0.71599789     -1.48567400      0.14048757
+H      0.44424223      0.35453866      0.00940215
+H      3.13361868     -1.18558746      0.12507981
+H      2.53830568      1.72797604     -0.06088415
+H      5.05676524     -0.75144897      0.00244090
+H      6.04117186      2.59017113     -0.13286437
+H      3.10564663      3.61469963     -0.05377533
+H      4.66040346      4.60532981     -0.13664861 
+
+13
+-1387.1107963543604 12.842482 12.58859 -8.4784 -6.629 -8.887 0.2788 -1.3412 -0.003 8.12847 0.56133 4.1311143312 6.669144947 0.299759887
+C      1.11853300     -0.06924157     -0.02921105
+C      2.43088655     -0.24160385      0.20369980
+N      3.41342576      0.70795771     -0.03511242
+C      4.78657856      0.55385952      0.19647762
+N      5.42379500     -0.46495725      0.66580549
+C      5.53003929      1.73721998     -0.16210560
+C      6.12037082      2.75035848     -0.47512242
+H      0.42011435     -0.87285903      0.18995110
+H      0.71510640      0.85913274     -0.43618399
+H      2.80216098     -1.18291166      0.61147270
+H      3.12400419      1.60621476     -0.41552469
+H      4.79282531     -1.24578872      0.88451803
+H      6.66655980      3.63195890     -0.74339458 
+
+19
+-1815.7622965406226 12.418242 13.16409 -8.983 -6.7581 -9.531 0.8864 -0.1295 1.297 8.9781 -0.70749 6.6378136848 6.6378136848 0.440821515
+C      0.97469224      0.02485824      0.05469946
+C      2.51157601     -0.07384947      0.03104031
+N      2.93517251     -0.93266137      1.15340758
+C      2.99229314     -0.77198733     -1.27008286
+N      2.37981046     -2.09519235     -1.41243319
+C      3.08697774      1.33291744      0.04145410
+C      3.87289995      1.86996897      0.98051341
+H      0.61497645      0.65519292     -0.77065265
+H      0.63588159      0.47809161      0.99819010
+H      0.53382583     -0.97307506     -0.05637757
+H      2.52455663     -0.59403880      2.02739483
+H      3.95168498     -0.87264306      1.26713032
+H      4.10338103     -0.78265813     -1.24039474
+H      2.70362859     -0.15047834     -2.13379085
+H      2.59784973     -2.63310753     -0.56768520
+H      2.79507403     -2.58938997     -2.20414528
+H      2.80387894      1.94669863     -0.82260306
+H      4.18202778      1.31028277      1.86692566
+H      4.23122239      2.89681082      0.89860963 
+
+17
+-1660.6621611903136 11.978204 12.8353 -9.0596 -6.9693 -9.688 0.8685 -0.0705 2.288 9.29982 -1.86509 4.3218543936 10.6947347936 0.332798273
+C      0.98485445     -0.00203720      0.04528450
+C      2.52240053     -0.01796673      0.00121425
+N      3.03582787     -0.78813280      1.15207698
+C      2.99869109     -0.74829303     -1.28111917
+N      4.46277140     -0.81725934     -1.32231639
+C      3.03191840      1.36980759     -0.02180832
+C      3.46998177      2.50457746     -0.01291402
+H      0.57134206      0.52585053     -0.82513085
+H      0.63272317      0.50798051      0.95227469
+H      0.61539287     -1.03642825      0.06116294
+H      2.95510830     -0.22718537      2.00370142
+H      4.03720533     -0.94178004      0.98350704
+H      2.53655126     -0.24982734     -2.15431581
+H      2.60707478     -1.77520251     -1.22168606
+H      4.84648907      0.09830397     -1.57098807
+H      4.76786427     -1.47595317     -2.03985776
+H      3.85059338      3.50554573      0.00526462 
+
+19
+-1814.5139230403513 12.414185 13.12853 -8.9147 -6.8008 -9.486 0.8659 -0.1704 1.389 8.93505 -0.80542 6.6527911936 6.6527911936 0.415806926
+C      3.09578139     -1.30620631     -0.78012358
+C      2.56752413     -0.26302112      0.20939658
+N      2.59292056     -0.68959318      1.62277673
+C      3.29137532      1.11628984      0.08652725
+N      2.65282993      2.17100668      0.89393131
+C      4.74523325      1.02796017      0.48249308
+C      5.77890449      1.01540329     -0.36555126
+H      3.02482375     -0.94764247     -1.81952192
+H      2.51936646     -2.24063283     -0.70757109
+H      4.15296934     -1.53689546     -0.57934468
+H      1.50866378     -0.05696732     -0.03029099
+H      3.49903271     -1.11938329      1.83289299
+H      1.89499207     -1.41973127      1.77840389
+H      3.24158201      1.42084828     -0.97287805
+H      2.45638065      1.76152591      1.81551922
+H      1.73892954      2.39420116      0.48975909
+H      4.93547992      0.97952921      1.56128918
+H      5.63130026      1.08555370     -1.44684571
+H      6.80850047      0.94802502     -0.01026205 
+
+17
+-1654.8649292278121 12.073238 13.02069 -9.0278 -6.8694 -9.656 0.7666 -0.2124 2.35 9.28792 -1.97623 4.383215065 10.7389358026 0.25772818
+C      0.93878614     -0.13124585      0.05225347
+C      2.46806401     -0.08355883     -0.07129039
+N      2.98746545     -0.71302070     -1.29250883
+C      3.00762536      1.38423109     -0.01506395
+N      2.51674420      2.22596329      1.08929317
+C      4.47302790      1.39411494      0.00433923
+C      5.68313973      1.40866200      0.08939153
+H      0.57587187      0.25239584      1.01803598
+H      0.58780289     -1.16946165     -0.03630630
+H      0.46179131      0.45235925     -0.75308251
+H      2.91459857     -0.62358538      0.78210266
+H      2.52044054     -0.31510777     -2.11393840
+H      2.76641251     -1.71129916     -1.29342799
+H      2.67825546      1.87440761     -0.95344916
+H      2.83717190      1.84304090      1.98287126
+H      1.49515882      2.22291115      1.10324631
+H      6.75272334      1.41925327      0.13710393 
+
+21
+-1947.0559862013513 12.77232 13.80149 -8.2777 -6.2567 -9.689 0.8843 -0.047 3.236 8.90231 -2.9307 7.70882955 11.5694188278 0.118288898
+C      2.89630051     -0.65712424      1.39481584
+C      2.55297660     -0.17547072     -0.01862032
+N      1.10929986     -0.12366171     -0.32019347
+C      3.12387097      1.22400992     -0.30520159
+N      4.56627333      1.35262875     -0.07990562
+C      5.34423154      0.60553229     -1.06452554
+C      4.96445634      2.75696689     -0.08209094
+H      3.98234406     -0.64792918      1.56610753
+H      2.51822876     -1.67650517      1.56382606
+H      2.43737248      0.00584360      2.14685893
+H      2.98403270     -0.88293363     -0.74844091
+H      0.63767934      0.44233456      0.39379651
+H      0.71102642     -1.06226402     -0.23291451
+H      2.62245096      1.93859618      0.37219820
+H      2.83645503      1.50859656     -1.34252496
+H      5.11991827     -0.46806957     -1.00210664
+H      6.41600641      0.73462576     -0.85641398
+H      5.15107666      0.93924990     -2.10997865
+H      4.41379511      3.30148111      0.69853758
+H      4.77505178      3.26299507     -1.05647312
+H      6.03916286      2.83640766      0.13777962 
+
+17
+-1683.1952704187818 12.511731 13.0316 -8.6572 -6.7512 -9.466 1.2271 -0.34 0.918 8.70834 -0.3856 5.0121092528 6.0359608436 0.315236713
+C      0.88906487      0.09820304      0.34967264
+C      2.21443946      0.49227329     -0.31022932
+N      2.26578480      0.12723770     -1.73273763
+C      2.64826545     -1.12674821     -2.16420808
+N      2.49285059     -1.68549212     -3.31162709
+C      2.58439196      1.95168682     -0.17659343
+C      1.87624660      2.89494652      0.45364701
+H      0.90431729      0.30307943      1.42950848
+H      0.70517444     -0.97458919      0.20563968
+H      0.04729613      0.64993243     -0.09466784
+H      3.02579185     -0.08992458      0.16563035
+H      1.64619086      0.65556317     -2.34650009
+H      3.19900941     -1.68296219     -1.38923698
+H      1.96346255     -1.07966087     -3.95757322
+H      3.52452141      2.22044286     -0.66957977
+H      0.93193271      2.67756592      0.95593612
+H      2.22719963      3.92672596      0.49268918 
+
+15
+-1524.890090260514 12.067984 12.84807 -8.6951 -6.8506 -9.516 0.8439 -0.147 0.929 8.74779 -0.36672 4.383896988 10.8217212548 0.385675577
+C      0.99355135     -0.00524581      0.47850916
+C      2.44486913      0.01103781     -0.04150774
+N      2.57081223     -0.53146450     -1.39612635
+C      2.89928094     -1.84426911     -1.65483841
+N      2.87802355     -2.49333224     -2.76373207
+C      3.01678818      1.36041183      0.02601647
+C      3.44867089      2.49286657      0.08134829
+H      0.94908613      0.37139561      1.50928210
+H      0.60268645     -1.03095993      0.45328509
+H      0.35514474      0.63273167     -0.14796319
+H      3.05390571     -0.64563067      0.60429698
+H      2.18453521      0.02911549     -2.15306463
+H      3.24879995     -2.37099592     -0.75306520
+H      2.53392399     -1.90773001     -3.54011492
+H      3.84885155      3.48530922      0.12805443 
+
+19
+-1820.2339474981231 13.120168 13.8815 -7.9226 -6.0701 -8.818 0.8456 -0.0666 1.147 7.99194 -0.50634 4.7902859002 5.5302343482 0.223724359
+C      3.60605049     -1.31070983     -0.71395855
+C      2.89869080     -0.03211722     -0.25894128
+N      3.65522425      1.15453938     -0.62336960
+C      4.07872284      1.89168335      0.33814588
+N      4.88623415      2.99254557      0.16853384
+C      5.03132000      3.95550396      1.24330282
+C      5.19282141      3.45701602     -1.17414579
+H      2.99151125     -2.19615955     -0.49323627
+H      4.57395751     -1.42459550     -0.20396233
+H      3.79585503     -1.27928019     -1.79617527
+H      2.70576994     -0.08491957      0.83484533
+H      1.91245746      0.02261722     -0.75343330
+H      3.85263157      1.68711999      1.40391293
+H      4.81877826      3.47098031      2.20526525
+H      4.34655123      4.81740035      1.12932527
+H      6.06254467      4.34076895      1.27157294
+H      5.12651564      2.60456293     -1.85889863
+H      6.20710868      3.88219112     -1.19620947
+H      4.47896483      4.23106270     -1.51142378 
+
+17
+-1687.8643291235403 14.003329 14.02902 -7.8948 -6.1027 -8.58 1.4415 -0.0993 0.669 7.83707 -0.10572 4.8032672344 5.1680960394 0.551356805
+C      1.96759859     -0.50408469      0.26985061
+C      3.35811149     -0.45247609     -0.36524350
+N      3.70402972      0.90333092     -0.76293217
+C      4.75733104      1.41442643     -0.24929581
+N      5.17260615      2.69366493     -0.55646184
+C      6.30010887      3.31098695     -0.03636206
+C      6.71789201      4.55579302     -0.32581204
+H      1.68384464     -1.54167213      0.49806551
+H      1.21855800     -0.07931408     -0.41272523
+H      1.94240078      0.07466893      1.20431489
+H      3.36072459     -1.08307708     -1.27166183
+H      4.10621294     -0.88741353      0.33138280
+H      5.42067627      0.89499653      0.46850978
+H      4.58614358      3.20065233     -1.21865756
+H      6.85617274      2.68135049      0.66279478
+H      6.18112937      5.20304252     -1.02075647
+H      7.62046922      4.94491453      0.13841015 
+
+19
+-1801.343601177997 13.078228 13.65109 -7.7508 -5.916 -8.558 0.9687 -0.0341 0.924 7.90872 -0.29995 4.6666842568 5.1363184276 0.249600199
+C      0.70926506     -0.73156429      0.87410047
+C      0.78638038      0.64119293      0.21796718
+N      2.00146047      1.38281880      0.59318354
+C      2.35938296      2.49313520     -0.27763134
+N      2.10569806      1.54179211      1.94642188
+C      2.78920824      2.51168028      2.45739680
+C      2.94780443      2.60462124      3.94356972
+H     -0.20871865     -1.24456945      0.55445952
+H      0.69839102     -0.63911348      1.96677885
+H      1.57362755     -1.34794421      0.58879330
+H     -0.12017354      1.23200695      0.46322481
+H      0.81467944      0.53017941     -0.87632876
+H      2.15489277      2.20739402     -1.31618243
+H      3.43332311      2.71671899     -0.19369364
+H      1.79337934      3.41737583     -0.03875047
+H      3.29512972      3.27594147      1.84893629
+H      2.36708774      1.81532764      4.43761618
+H      2.61001398      3.58371188      4.31962076
+H      4.00495791      2.50037468      4.23919734 
+
+19
+-1827.191880079682 12.976432 14.04113 -8.2505 -6.3525 -9.137 0.8527 -0.0512 1.114 8.39727 -0.49289 4.8248160012 5.7963826958 0.228656173
+C      1.15067397      0.62536632     -0.65555672
+C      2.41806995      1.38597629     -0.28828563
+N      3.60551558      0.58483638     -0.56912886
+C      4.86692343      1.12294620     -0.47834395
+N      5.08808516      2.37677915     -0.32585558
+C      6.47741434      2.80598864     -0.33155707
+C      6.83023869      3.56221053      0.95048625
+H      0.26477464      1.24229944     -0.45453570
+H      1.04844585     -0.29878145     -0.06491622
+H      1.14570904      0.35460410     -1.72109661
+H      2.39667596      1.69230577      0.77429459
+H      2.50652679      2.31427637     -0.87124097
+H      3.53386137     -0.41411601     -0.39809546
+H      5.67131527      0.36848137     -0.58958750
+H      6.62787032      3.48019232     -1.19376580
+H      7.17788463      1.95339087     -0.46935952
+H      6.15090489      4.41499218      1.09061601
+H      7.86235765      3.94032388      0.90916424
+H      6.73587248      2.90733765      1.82926449 
+
+19
+-1833.2156795246563 12.284036 13.4666 -8.5274 -6.6239 -9.518 0.7253 -0.2133 1.178 8.69627 -0.54276 5.0380719212 11.3044483472 0.197151008
+C      1.35778866     -0.29243833     -0.52760860
+C      2.86110567     -0.25410413     -0.28035949
+N      3.37052901      1.10493369     -0.38561298
+C      4.70063756      1.42346702     -0.16833413
+N      5.68241475      0.59282243     -0.03877324
+C      4.98135355      2.91159083     -0.08013085
+C      4.72820031      3.47535659      1.32632240
+H      0.98591847     -1.32341123     -0.46177774
+H      1.11113995      0.09617656     -1.52603322
+H      0.81498733      0.30434803      0.22137008
+H      3.37423591     -0.88301617     -1.02819030
+H      3.09377566     -0.68356247      0.71342754
+H      2.69268142      1.85071777     -0.25373661
+H      5.35753130     -0.38261742     -0.07186737
+H      4.37095499      3.45210902     -0.82238815
+H      6.03544072      3.05130325     -0.35229464
+H      3.67826436      3.35726279      1.63492880
+H      4.96659571      4.54761360      1.36498080
+H      5.35676467      2.95711817      2.06359772 
+
+17
+-1689.0254395030493 12.467172 13.05493 -8.6258 -6.8147 -9.41 0.7133 -0.9693 0.007 8.60964 0.42747 4.7008795956 5.5748941054 0.321098374
+C      1.84815929     -0.49315921     -0.48740934
+C      3.32767555     -0.40181261     -0.13288250
+N      3.91327934      0.81983194     -0.66710671
+C      5.24049898      1.14759933     -0.43653953
+N      6.14653214      0.39006118      0.10212541
+C      5.67759598      2.48800806     -0.89173404
+C      5.00039647      3.32378956     -1.69196933
+H      1.41908610     -1.42442233     -0.09486318
+H      1.70180054     -0.48008414     -1.57670468
+H      1.28085711      0.34286129     -0.05060095
+H      3.86410441     -1.26394496     -0.56336515
+H      3.45821493     -0.45718738      0.96599029
+H      3.27648122      1.60966619     -0.74308712
+H      5.75440635     -0.51659582      0.38792993
+H      6.66963365      2.75384857     -0.52142230
+H      4.02847931      3.07239336     -2.12244746
+H      5.41767864      4.29160696     -1.97072337 
+
+15
+-1528.394300767671 12.067854 12.91806 -8.7377 -6.9551 -9.554 1.0237 -0.721 0.259 8.72013 0.23052 4.1491542942 10.5138516182 0.343673521
+C      1.53295586      0.37705146      0.44565555
+C      2.86235877     -0.02908786     -0.17835867
+N      3.86137832      1.01110537      0.01305612
+C      5.14272097      0.90429570     -0.50422109
+N      5.69821043     -0.12959437     -1.05113041
+C      5.91512326      2.11809216     -0.36526745
+C      6.52628811      3.16005782     -0.24745649
+H      0.78995858     -0.41914546      0.30755478
+H      1.13473620      1.28889886     -0.02424507
+H      1.64162488      0.56022718      1.52385618
+H      2.72737602     -0.24382559     -1.25595018
+H      3.22431937     -0.95963373      0.29195299
+H      3.52896330      1.95196317      0.20685158
+H      5.03702676     -0.91598794     -1.10010445
+H      7.09206917      4.06437324     -0.15175338 
+
+12
+-1294.7601275082322 11.374567 11.24787 -9.1198 -7.246 -9.398 -0.2618 -1.9549 -0.558 8.71763 1.01433 4.9101307678 4.9752110192 0.331233899
+C      0.73471790      0.07429509      0.06148134
+C      2.08499327      0.00811398      0.02299472
+N      2.88940039     -1.14259328     -0.00430575
+C      2.44464865     -2.45936153      0.01147752
+N      3.15247582     -3.52620055     -0.00801423
+C      2.84867762      1.22463096      0.00590530
+N      3.50290102      2.19276780     -0.00907180
+H      0.25537004      1.04865657      0.07935474
+H      0.09961880     -0.80749591      0.07565129
+H      3.89509022     -0.98875518     -0.03279967
+H      1.35402148     -2.55521755      0.04442436
+H      4.16330478     -3.32166039     -0.03856783 
+
+12
+-1293.85552058513 11.613774 11.37162 -9.0098 -7.1685 -9.267 -0.1428 -1.9206 -0.723 8.5853 1.16043 4.5879903426 5.972281634 0.292784965
+C      1.18459546     -0.31465980     -0.22835203
+C      2.44623605     -0.43096579      0.21463180
+N      3.44366296      0.51806034      0.01657258
+C      4.75769757      0.42045880      0.46684668
+N      5.35361503     -0.50298310      1.13484615
+C      5.54137510      1.58764250      0.08903624
+N      6.13555541      2.53874503     -0.23233929
+H      0.46666665     -1.10601592     -0.02886652
+H      0.84089267      0.55475938     -0.79041606
+H      2.76349035     -1.31130063      0.77442081
+H      3.20036062      1.36034353     -0.50122781
+H      4.73076212     -1.28779434      1.35992745 
+
+14
+-1434.6191411767795 10.805526 11.56527 -9.4369 -7.4958 -10.082 0.8647 -0.4812 0.604 9.32074 -0.09039 4.940532135 6.2092932716 0.205466125
+C      0.91437771      0.16395406      0.67952018
+C      2.26392035     -0.18185211      0.03560162
+N      2.09118293     -0.86291604     -1.24541936
+C      3.01818240     -1.79353327     -1.70304585
+N      3.18873353     -2.25020582     -2.88676106
+C      3.10153026      1.03133036     -0.09583650
+N      3.74139819      1.99762234     -0.23088583
+H      1.06434261      0.65903099      1.64723522
+H      0.33854967     -0.75754933      0.82755967
+H      0.33946720      0.84346668      0.03571741
+H      2.80752952     -0.87833763      0.69515740
+H      1.61454112     -0.31724799     -1.96387310
+H      3.63490386     -2.20564251     -0.88968222
+H      2.56789065     -1.79074972     -3.57047758 
+
+14
+-1436.3173463893816 10.87797 11.70693 -9.4018 -7.5649 -10.131 0.6294 -1.2779 -0.493 9.24083 0.83531 4.6688292146 7.8694286158 0.210149116
+C      1.04775749     -0.82975787     -0.08827507
+C      2.25011583      0.07457551      0.14896623
+N      1.83016717      1.45974871      0.30938875
+C      2.72611299      2.47877237      0.54004693
+N      4.01616202      2.45669350      0.56068183
+C      2.07105960      3.76077240      0.77094490
+N      1.50638099      4.76354505      0.96127222
+H      1.37791650     -1.86877276     -0.21380053
+H      0.50220922     -0.53458664     -0.99542346
+H      0.35337444     -0.80114184      0.76405465
+H      2.94288737      0.01016525     -0.70752563
+H      2.80711535     -0.25781192      1.04438023
+H      0.84471393      1.64929999      0.46833301
+H      4.37477711      1.50733827      0.39717596 
+
+17
+-1656.4282127346928 12.38761 13.25382 -8.4546 -6.5315 -10.1 1.5662 -0.0883 0.882 9.48453 -0.22844 4.8402026638 6.66858701 0.465893642
+C      1.67898020      0.86672495     -1.70493584
+C      2.66802630      0.87310556     -0.58748481
+N      3.92711382      0.90558927     -0.82212107
+N      4.69534655      0.90793886      0.40577759
+C      5.98552735      0.19523355      0.17584415
+C      5.95867225      1.67573377      0.20342459
+C      6.44071451      2.48495864      1.37913721
+H      1.04670844     -0.03355518     -1.65368126
+H      2.18827773      0.89578417     -2.67561466
+H      1.00144471      1.73118442     -1.62436572
+H      2.29912680      0.84829156      0.45114641
+H      6.09428150     -0.29299075     -0.79440140
+H      6.33493450     -0.36767676      1.04408754
+H      6.02715075      2.15403391     -0.77837826
+H      6.28445144      1.93866755      2.31901930
+H      5.90242244      3.44207416      1.44580381
+H      7.51476070      2.70372233      1.28094241 
+
+17
+-1660.4500762942434 12.422689 12.93284 -7.8388 -6.001 -8.676 1.0159 0.0009 0.922 8.07747 -0.28795 4.804829458 5.253844757 0.261131785
+C      1.42225112      2.47217750      0.33479300
+C      2.86722151      2.16234754      0.56375038
+N      3.46214099      1.25723404     -0.13905288
+N      4.75726587      0.95607105      0.13700595
+C      5.76934463      1.90792889      0.67259993
+C      6.82876415      1.16880304     -0.18010042
+C      5.64993281      0.53253312     -0.96261004
+H      0.82006165      2.25665978      1.23304205
+H      1.03484680      1.87224246     -0.49841676
+H      1.27454819      3.53922186      0.10315912
+H      3.39255748      2.71003229      1.36406804
+H      5.88683006      1.90219851      1.76627332
+H      5.57720898      2.94311934      0.32903665
+H      7.51040590      1.79988300     -0.76034580
+H      7.40434586      0.43629315      0.39825610
+H      5.42919329      1.06091452     -1.90620426
+H      5.67147071     -0.55223010     -1.14255437 
+
+17
+-1685.2975488175234 11.69464 12.47933 -8.199 -6.3164 -9.281 0.8196 -0.111 1.186 8.40335 -0.52464 4.9429374634 5.8631367582 0.179012549
+C      1.15683582      0.15964208      0.48722922
+C      2.56753417      0.10552129     -0.06031490
+N      3.14897791     -0.90506260     -0.62075702
+N      3.28684777      1.27064585      0.10091299
+C      2.79896490      2.66574769      0.05810590
+C      4.20339975      3.09422400     -0.44682776
+C      4.53103748      1.58653953     -0.62462771
+H      1.14786279      0.51948910      1.52612273
+H      0.69727939     -0.83500445      0.45602578
+H      0.53045583      0.84464229     -0.10497855
+H      2.52243559     -1.71659245     -0.60887604
+H      2.47716543      3.06944796      1.03068224
+H      1.99650502      2.82989989     -0.68302020
+H      4.21598500      3.70003220     -1.35967200
+H      4.80820970      3.58528140      0.32492226
+H      4.50796346      1.22384592     -1.66551640
+H      5.44194999      1.20798030     -0.13947055 
+
+17
+-1659.9557213768076 12.556406 13.3642 -8.1391 -6.2115 -8.873 1.6179 0.0536 0.841 8.30666 -0.2291 4.9294229894 5.3369649714 0.294664102
+C      1.89757376     -0.74148086      1.27418116
+C      2.98524101     -0.17316618      0.42153763
+N      3.40924813      1.02810984      0.59893416
+N      4.35294580      1.51917698     -0.27387547
+C      5.19832875      2.54840068      0.27184314
+C      5.75387355      3.55282004     -0.70768831
+C      4.66983929      3.95863219      0.26321447
+H      2.22935358     -1.66077766      1.78323356
+H      1.01943058     -1.01547612      0.66695037
+H      1.58814618     -0.00845035      2.02940258
+H      3.40527059     -0.81422063     -0.37820410
+H      4.87739490      0.79065631     -0.77790879
+H      5.83835503      2.26610339      1.11721735
+H      5.46714461      3.43012635     -1.75249324
+H      6.76883598      3.91417087     -0.54287558
+H      4.93320717      4.60211409      1.10227230
+H      3.66363110      4.09177106     -0.13241123 
+
+17
+-1686.9550144485095 11.766149 12.67369 -8.4522 -6.5407 -9.458 0.8693 -0.0541 1.108 8.6332 -0.48526 4.9238064236 5.99720282 0.2116832
+C      4.27908636     -1.93063161      1.18973363
+C      3.16608327     -1.01448467      0.73396979
+N      1.89919992     -1.22344263      0.87142940
+N      3.56193790      0.14224239      0.07085706
+C      4.84258411      0.76830453      0.24406970
+C      6.00700727      0.32556156     -0.61707028
+C      5.33448216      1.65138755     -0.87512725
+H      4.90241531     -2.24663241      0.34100213
+H      3.85889088     -2.82059776      1.67148918
+H      4.94360161     -1.42616649      1.90649182
+H      1.74004504     -2.13644156      1.30996000
+H      2.77292637      0.77134116     -0.08176958
+H      5.09357251      1.10225333      1.25916218
+H      5.80973150     -0.47444279     -1.33018905
+H      7.00090368      0.31961126     -0.16919876
+H      5.85861104      2.56741722     -0.60421376
+H      4.70056106      1.72363093     -1.75917621 
+
+17
+-1667.0331543541683 12.017934 12.74528 -8.1774 -6.1959 -8.891 0.8399 -0.1069 0.94 8.40208 -0.2696 4.8705792338 5.5385290116 0.18273716
+C      1.06130250      0.04439080     -0.82462300
+C      2.33904785      0.12447966     -0.02731011
+N      2.86627955     -0.89258556      0.57280476
+N      2.23716637     -2.11915035      0.43565174
+C      3.00527986      1.45186117      0.09823004
+C      2.92930943      2.21832214      1.41839087
+C      4.23525904      1.63450889      0.94670421
+H      0.82954669      1.00079475     -1.30775938
+H      0.19850503     -0.21676079     -0.18562350
+H      1.13380344     -0.73467112     -1.60087614
+H      2.52721462     -2.72522096      1.20066070
+H      1.21321144     -2.08348925      0.37044226
+H      2.93241836      2.07335040     -0.79865239
+H      2.42432957      1.71424001      2.24342480
+H      2.78820586      3.29914600      1.37704332
+H      5.00171222      2.31665072      0.57881970
+H      4.60214818      0.74208349      1.45236210 
+
+17
+-1678.1895200274407 13.256904 13.53445 -8.4351 -6.5766 -9.036 0.801 -0.7572 0.499 8.57432 0.2636 4.3583682706 5.424573479 0.643794302
+C      0.92727784      0.96898306      0.47726279
+C      2.40854449      0.83807493      0.38629370
+N      3.15019255      1.84432295      0.08203227
+N      4.51428200      1.49323307      0.03420464
+C      5.32402332      2.50431048     -0.01179867
+C      4.93390463      3.95590485      0.01903456
+C      6.78926057      2.18564980     -0.08710972
+H      0.57844359      0.71029524      1.48982118
+H      0.43639931      0.26164288     -0.21015634
+H      0.60900946      1.99029226      0.23610846
+H      2.86979736     -0.14346880      0.58696530
+H      3.85351379      4.07536652     -0.10802883
+H      5.47467717      4.51183732     -0.76119533
+H      5.22840146      4.40002811      0.98348594
+H      6.94640552      1.10104970     -0.08320761
+H      7.32845800      2.63482237      0.76224214
+H      7.22955895      2.61536526     -1.00119449 
+
+15
+-1532.5416843333287 14.726654 13.64531 -8.7643 -6.9373 -8.744 -0.1671 -1.7355 -0.39 8.30698 1.0789 4.2546539816 4.7496680866 1.058873906
+C      1.45786296      3.19412343     -0.57914583
+C      2.67177467      2.44957718     -0.14752394
+N      3.85109440      2.85670586     -0.47410709
+N      4.85330226      2.01249415      0.03365776
+C      6.03640077      2.42205900     -0.30363994
+C      7.21349547      1.69354761      0.11766594
+C      8.46304675      2.07689183     -0.20672772
+H      0.86905695      3.50987452      0.29681114
+H      0.80010292      2.54284806     -1.17663566
+H      1.73162628      4.07562242     -1.17078410
+H      2.55525932      1.53719440      0.45993243
+H      6.15780053      3.33031583     -0.91548034
+H      7.03700261      0.80036757      0.72301010
+H      8.64337710      2.96863035     -0.81144708
+H      9.33577701      1.51261779      0.12170432 
+
+13
+-1370.3987046196078 13.916752 13.27612 -9.0513 -7.2141 -8.965 -0.3617 -1.9354 -0.303 8.58833 0.99653 3.9072204124 5.4271895836 0.546230683
+C      0.84627588      0.13300249     -0.04547645
+C      2.32940229      0.03838947     -0.08570784
+N      3.06964197      0.98406485      0.38615443
+N      4.43558510      0.68394014      0.24350332
+C      5.16840661      1.64285872      0.71968709
+C      6.58236602      1.57206852      0.69049304
+C      7.79882040      1.59601153      0.70741801
+H      0.42470287     -0.71613723      0.51552353
+H      0.43186686      0.06670158     -1.06398626
+H      0.52505512      1.07265527      0.41875198
+H      2.80033343     -0.85524278     -0.52612969
+H      4.70301107      2.53832092      1.15953594
+H      8.86978238      1.59438651      0.71107289 
+
+19
+-1808.5050446195128 13.181936 13.89414 -8.0552 -6.1228 -8.898 1.1297 0.0323 0.862 8.33845 -0.25901 4.8520433268 5.3711231144 0.292408624
+C      1.87282100      2.22370263      1.89382997
+C      3.26356876      1.75745255      1.60846108
+N      4.19138543      2.58903101      1.28803454
+N      5.46492795      2.11663055      1.11047183
+C      6.30297538      2.92992222      0.21042780
+C      6.55068507      4.30560763      0.82725123
+C      7.60444735      2.16907944     -0.03524935
+H      1.14407948      1.74135099      1.22239689
+H      1.80613680      3.31141305      1.76649903
+H      1.57038214      1.97006185      2.92316605
+H      3.47621213      0.67381053      1.69586674
+H      5.50831108      1.11338455      0.88350011
+H      5.78538846      3.06855750     -0.76087853
+H      7.11849567      4.20740781      1.76468885
+H      5.59736966      4.80075690      1.05054725
+H      7.12121345      4.93821145      0.13236887
+H      8.14211583      2.00565752      0.91094061
+H      8.25706035      2.74066853     -0.70871072
+H      7.41969401      1.18930329     -0.50281228 
+
+17
+-1661.2237088655675 13.287776 13.81995 -8.1381 -6.2295 -8.969 1.6324 -0.0635 0.798 8.40778 -0.1811 4.9089900966 5.3877372384 0.340201819
+C      4.02513454     -1.92883158     -1.20554285
+C      4.11361503     -0.44903081     -1.02023481
+N      5.24127501      0.12450240     -0.78585268
+N      5.27632613      1.49411002     -0.71309279
+C      6.34442226      2.01898907      0.14032979
+C      6.52832324      3.48891278     -0.09920665
+C      6.46237217      4.42100456      0.85755743
+H      3.33403943     -2.38110734     -0.47626314
+H      5.01597072     -2.38384435     -1.08602858
+H      3.63932731     -2.18232273     -2.20638591
+H      3.18178309      0.14259187     -1.10726222
+H      4.36475941      1.93333627     -0.52181535
+H      7.25571957      1.46816767     -0.14272801
+H      6.16627923      1.82620616      1.21666565
+H      6.72653602      3.77884113     -1.13632918
+H      6.25508105      4.15331854      1.89709733
+H      6.62307580      5.47775633      0.63976197 
+
+15
+-1502.9257891930233 12.686253 13.47334 -8.3785 -6.4128 -9.065 1.488 -0.1443 0.731 8.53194 -0.10978 4.4075907126 10.651885232 0.422544761
+C      1.68263585      0.57360083     -2.05614238
+C      2.76326681      0.65054384     -1.02783261
+N      3.60810446      1.62080153     -1.02510469
+N      4.52087313      1.68875238     -0.00202090
+C      5.75106572      2.38863875     -0.39399581
+C      6.67219916      2.49560066      0.73102201
+C      7.45466895      2.55913598      1.65570117
+H      1.73341591     -0.37402005     -2.61601138
+H      1.77041794      1.40987320     -2.76043911
+H      0.68587963      0.61098796     -1.58676227
+H      2.80577011     -0.14302389     -0.25763749
+H      4.71386251      0.79129345      0.46406590
+H      5.45844616      3.39080109     -0.74459927
+H      6.26773432      1.89166724     -1.23923266
+H      8.14063936      2.62912703      2.47513949 
+
+17
+-1689.913088731412 12.58423 13.31229 -8.4635 -6.575 -9.347 0.9452 -0.1783 1.068 8.54895 -0.78466 4.8550685852 6.597357053 0.295737761
+C      1.15448983     -1.18940089      0.27003876
+C      2.41055553     -0.82070728     -0.49426331
+N      2.77413330     -1.28956018     -1.64234117
+N      3.20270201      0.10266162      0.15705421
+C      4.37080957      0.70710283     -0.47371236
+C      5.45099249      0.97870931      0.53058928
+C      5.99746586      2.18036619      0.74879860
+H      1.37860727     -1.41813220      1.32225698
+H      0.67415816     -2.06590621     -0.18026156
+H      0.43462999     -0.35694513      0.25160604
+H      2.10245150     -1.99526454     -1.95836245
+H      2.80192631      0.59006899      0.95207583
+H      4.10717228      1.63327653     -1.01711810
+H      4.70654558     -0.02133097     -1.22874348
+H      5.79350300      0.11034807      1.10439478
+H      5.66926907      3.06273676      0.19300695
+H      6.79787825      2.32150710      1.47622101 
+
+15
+-1532.2521578091973 11.89987 12.95879 -8.743 -6.8269 -9.597 0.7894 -0.1852 1.022 8.80192 -0.38308 4.399271252 10.6712146494 0.395233156
+C      1.22349259     -0.50873234     -0.26870473
+C      2.73492377     -0.41975362     -0.31636444
+N      3.55184779     -1.29755167     -0.79792097
+N      3.24607961      0.72478615      0.25953278
+C      4.67517677      1.01296082      0.14049334
+C      5.01292461      2.27562627      0.78287365
+C      5.28718394      3.33491181      1.30701040
+H      0.76181322      0.32607683     -0.81745094
+H      0.86268111     -0.46739512      0.76916411
+H      0.88003318     -1.44600347     -0.72043033
+H      3.02996743     -2.11129545     -1.13718581
+H      2.63121774      1.52436810      0.37244418
+H      4.98608628      1.02971782     -0.92071466
+H      5.23589771      0.18299396      0.59985020
+H      5.54317424      4.26525994      1.77155322 
+
+13
+-1367.0846445865143 12.829369 12.43934 -8.8403 -6.9686 -9.014 -0.0178 -1.5961 -0.094 8.48167 0.72177 3.9385516746 5.5055735328 0.453074144
+C      1.01767768      0.33583587     -0.13799323
+C      2.45376059      0.25264803      0.31138876
+N      2.99138321     -0.81058405      0.83819856
+N      2.18869417     -1.86323606      1.09726570
+C      2.36862519     -2.97036771      0.47318596
+C      3.28774613      1.39651337      0.14462915
+C      3.92870676      2.41326023     -0.04439437
+H      0.67796051      1.37652452     -0.17534422
+H      0.39012267     -0.24849416      0.55061464
+H      0.89783034     -0.09988648     -1.14121548
+H      1.75939460     -3.82334739      0.77749605
+H      3.10173764     -3.08591678     -0.33640966
+H      4.51762050      3.29548059     -0.19339186 
+
+17
+-1657.7887575920681 12.969382 13.25231 -8.3684 -6.4627 -9.205 1.4443 -0.2663 0.634 8.60028 -0.08971 4.7673980846 5.4134271376 0.392383847
+C      0.91435959      0.15547995      0.49942035
+C      2.33178333      0.13242513     -0.08224098
+N      2.30305736     -0.36287925     -1.47364518
+N      1.80251213     -1.61624265     -1.63842039
+C      2.16220004     -2.29574473     -2.67033376
+C      2.93762552      1.51077862     -0.10039116
+C      4.04652476      1.85778252      0.56086412
+H      0.94792720      0.46837976      1.55117843
+H      0.46555773     -0.84324562      0.43437460
+H      0.28063743      0.85817722     -0.06079032
+H      2.96598539     -0.52473906      0.54558227
+H      3.18047671     -0.17685453     -1.97907833
+H      1.70793913     -3.27634532     -2.81350286
+H      2.88945122     -1.92955141     -3.41472375
+H      2.39480748      2.25533228     -0.69438749
+H      4.60273711      1.13033850      1.15781641
+H      4.43014788      2.87876860      0.53886803 
+
+15
+-1499.7247153095327 12.428738 12.91689 -8.5139 -6.6071 -9.19 1.3111 -0.4196 0.572 8.63952 -0.03018 4.386810659 10.6637382936 0.415103614
+C      1.13981818     -0.07259900      0.81412825
+C      2.42113281      0.00588165     -0.02836785
+N      2.14181881     -0.36787900     -1.43367821
+N      1.88616914     -1.69095765     -1.61196983
+C      2.05664785     -2.20323646     -2.77984201
+C      3.01240716      1.34328693     -0.01404684
+C      3.50770693      2.45082069     -0.00144350
+H      1.36483015      0.14195402      1.86671949
+H      0.72207020     -1.08365946      0.73339028
+H      0.40164575      0.65222951      0.44729963
+H      3.16603490     -0.69477704      0.39885048
+H      2.79684330      0.05707397     -2.10287374
+H      1.79586544     -3.25327361     -2.91219033
+H      2.43831851     -1.63334953     -3.64269510
+H      3.94239087      3.42956497      0.01357927 
+
+19
+-1806.265062283998 13.341481 14.20735 -8.0421 -6.117 -8.866 1.2056 -0.0725 0.882 8.3171 -0.26378 4.8975957832 5.3764297152 0.243762082
+C      3.50152364      5.14283781     -2.73414813
+C      3.73575301      4.49135690     -1.37698131
+N      5.02027289      3.78916519     -1.36149556
+N      5.40545279      3.34586773     -0.12450245
+C      6.17270152      2.31544656     -0.04669366
+C      6.70156668      1.83528116      1.27032382
+C      6.30311351      0.38469434      1.58020725
+H      2.54077352      5.67541489     -2.74074269
+H      3.46732694      4.39429218     -3.54066031
+H      4.30051155      5.85967607     -2.96812704
+H      2.89521105      3.81374358     -1.12736392
+H      3.78345513      5.24988981     -0.58249750
+H      5.09484905      3.07914766     -2.10500309
+H      6.46712313      1.75199064     -0.95465056
+H      6.33574673      2.51537816      2.05362537
+H      7.80434835      1.91059570      1.26762841
+H      5.21091731      0.28631545      1.66033308
+H      6.74720540      0.04814285      2.52797965
+H      6.64472780     -0.30183669      0.79064864 
+
+19
+-1810.4033070457253 13.029629 13.85653 -7.8797 -5.964 -8.696 0.7985 -0.104 0.985 8.14352 -0.31702 4.8657809756 12.585756867 0.317331969
+C      0.66725206      2.76499507      0.31359907
+C      2.06002097      2.17747804      0.50332201
+N      3.07108631      3.05669232     -0.08913044
+N      4.33833563      2.52162246     -0.07247488
+C      5.34845418      3.32403533     -0.18177233
+C      5.21561246      4.82332545     -0.28031756
+C      6.71936176      2.71367372     -0.23862886
+H     -0.09100883      2.09223052      0.73707662
+H      0.44483304      2.91445326     -0.75227732
+H      0.56535206      3.73598479      0.82345767
+H      2.14596217      1.20710460     -0.00654765
+H      2.25584950      1.99558025      1.57820761
+H      3.00567441      4.01810261      0.26869118
+H      4.59287603      5.10701861     -1.14539827
+H      6.19469009      5.30591872     -0.38728236
+H      4.73285019      5.25291048      0.61608580
+H      6.64958916      1.62192295     -0.16329552
+H      7.35715743      3.08734224      0.57983687
+H      7.23087138      2.97259860     -1.18104166 
+
+17
+-1666.430241299555 14.771322 14.00328 -7.6511 -5.8924 -8.343 0.6408 -0.9429 -0.187 7.82324 0.68526 4.4927318988 4.4927318988 0.611962655
+C      2.86586379     -1.25799913     -1.87669659
+C      2.14490164     -0.98449820     -0.56284346
+N      2.36996024      0.39383959     -0.13090373
+N      1.58962569      0.83348650      0.88060649
+C      2.00807547      1.83570828      1.59496789
+C      1.17886659      2.39131896      2.63656136
+C      1.53999799      3.42502554      3.42482387
+H      2.69451787     -2.29509882     -2.19453213
+H      3.95360231     -1.12206170     -1.77484412
+H      2.50944449     -0.58617050     -2.66953741
+H      2.47098531     -1.70605357      0.21130345
+H      1.05823953     -1.10338789     -0.67764542
+H      3.36118703      0.67004295     -0.08788797
+H      3.00265676      2.28839964      1.42033128
+H      0.20329835      1.91296856      2.76452684
+H      2.50843696      3.91789403      3.31069250
+H      0.87756997      3.80470577      4.20205714 
+
+15
+-1505.3557757216863 13.925295 13.63574 -8.0221 -6.1438 -8.463 0.5278 -1.0494 -0.013 7.96811 0.52536 3.9781404044 4.283220356 0.310707183
+C      0.91427355     -0.28174844     -0.61819734
+C      2.07251747     -0.41487259      0.36202198
+N      2.86735649      0.81156527      0.39202366
+N      4.08127091      0.73055458      0.96010675
+C      4.63880126      1.83150207      1.37845578
+C      5.94421867      1.83886386      1.91819543
+C      7.05757990      1.93633316      2.40405919
+H      0.32417336     -1.20773833     -0.63257659
+H      1.27820778     -0.08346091     -1.63571514
+H      0.23443100      0.53502781     -0.33078486
+H      2.75617650     -1.22039855      0.06057393
+H      1.69448788     -0.66748363      1.37083397
+H      2.33431487      1.67688798      0.55632955
+H      4.11269459      2.80068866      1.31828198
+H      8.04143579      1.99575908      2.82157172 
+
+12
+-1277.159994461662 12.343239 11.94974 -9.7551 -7.8463 -9.864 -0.8986 -2.6099 -1.005 9.48338 1.55178 4.1346355336 4.9314687584 0.651090009
+C      0.84640100      0.16149647     -0.02120575
+C      2.32251716      0.03843618     -0.11063998
+N      3.09729291      0.93972450      0.39496398
+N      4.44763016      0.61216095      0.19004629
+C      5.22340876      1.51433768      0.69604793
+C      6.63946892      1.36961242      0.59478811
+N      7.80689937      1.32056772      0.55149494
+H      0.42524016     -0.71388431      0.49814874
+H      0.40558418      0.16017104     -1.03070384
+H      0.55580492      1.07706128      0.50596614
+H      2.76055869     -0.83656548     -0.61643727
+H      4.83351378      2.40391153      1.20970071 
+
+14
+-1412.8162245694505 11.462819 12.23225 -8.9206 -6.9288 -9.478 1.1589 -0.528 0.463 8.95079 0.15387 4.9773435784 5.5409467386 0.319656109
+C      0.25692606      0.59635013      0.82815034
+C      1.14009104      0.15169857     -0.29021888
+N      2.24133953     -0.46918830     -0.05650562
+N      2.96431379     -0.93418890     -1.13389681
+C      4.38920405     -1.04053960     -0.82117355
+C      5.10673879     -1.71202836     -1.90588572
+N      5.69284134     -2.21570738     -2.77842001
+H     -0.73134368      0.11292965      0.76422308
+H      0.08194245      1.68283749      0.78510329
+H      0.71077670      0.34468764      1.79441943
+H      0.81048351      0.35740382     -1.32600537
+H      2.78927441     -0.43400055     -2.01637210
+H      4.48398515     -1.63447410      0.09994435
+H      4.87922687     -0.06493011     -0.63483242 
+
+14
+-1442.1320559763633 10.741612 11.73167 -9.215 -7.3378 -10.028 0.6301 -0.4598 0.719 9.19633 -0.09156 4.8273081198 6.1576778998 0.189082625
+C      0.55140826     -0.35454248      0.15603343
+C      2.00973318      0.04559238      0.12041370
+N      3.02837393     -0.68772761      0.41466199
+N      2.21456793      1.36657612     -0.24487644
+C      3.57181199      1.84081395     -0.46507614
+C      3.65532405      3.29415512     -0.33034783
+N      3.72081966      4.45541054     -0.24770871
+H     -0.01851696      0.30498434      0.82607682
+H      0.44606127     -1.38712210      0.50667917
+H      0.10172288     -0.28572422     -0.84620453
+H      2.72274864     -1.61246999      0.73058316
+H      1.46890312      1.84510136     -0.74056585
+H      3.97457687      1.55136844     -1.45343110
+H      4.21228516      1.35089415      0.28443232 
+
+12
+-1273.772924050994 11.588103 11.33503 -9.6737 -7.7329 -9.955 -0.9587 -2.6536 -0.966 9.54459 1.52051 4.1381939318 5.0468873258 0.592360945
+C      1.00671523      0.68871017     -0.13411988
+C      2.46365596      0.35828771      0.05733110
+N      2.98848917     -0.80987248      0.28077262
+N      2.01026324     -1.82089970      0.33445068
+C      2.55210735     -2.96677165      0.55058843
+C      3.40422883      1.44559292     -0.01098443
+N      4.10454322      2.37888166     -0.08010229
+H      0.86670742      1.76318397     -0.28835204
+H      0.43132375      0.36163889      0.74185098
+H      0.60923873      0.13775385     -0.99691553
+H      1.89021161     -3.83369522      0.61354150
+H      3.63761548     -3.08909011      0.66961888 
+
+14
+-1409.4244500233158 11.193291 11.71626 -9.0846 -7.1262 -9.659 0.9583 -0.8184 0.301 9.09671 0.23421 4.836197916 5.5332348094 0.374205096
+C      0.95882416      0.05020113      0.42737003
+C      2.41554210     -0.03322523     -0.04734496
+N      2.49840528     -0.55148650     -1.42687697
+N      2.17893202     -1.87506738     -1.51719394
+C      2.61041550     -2.54195713     -2.52759891
+C      3.06714217      1.28206607     -0.01612536
+N      3.59041490      2.32331995      0.01865301
+H      0.91631757      0.38898744      1.46993855
+H      0.51289740     -0.94843136      0.35363871
+H      0.39242813      0.74508259     -0.20483776
+H      2.98459766     -0.68354048      0.64609689
+H      3.35383463     -0.26689446     -1.92155320
+H      2.30250935     -3.58438919     -2.60896146
+H      3.25935913     -2.11232546     -3.30738461 
+
+14
+-1414.889973512554 12.436761 12.33242 -8.7252 -6.8901 -9.143 0.1489 -1.5698 -0.726 8.5109 1.13853 4.4452576594 4.4452576594 0.393710602
+C      0.83158221     -0.54502299      0.11368548
+C      2.31555494     -0.20162595      0.13546175
+N      2.54645744      1.14794673     -0.37323772
+N      3.73061608      1.43867278     -0.88936320
+C      4.04548484      2.68872019     -1.08777165
+C      5.28277570      3.01580574     -1.69827632
+N      6.28696338      3.36076595     -2.19356638
+H      0.67562184     -1.55727795      0.50880751
+H      0.43081569     -0.50402880     -0.90799796
+H      0.24834408      0.14437616      0.74235345
+H      2.89231071     -0.87501287     -0.51201053
+H      2.71956865     -0.30254644      1.15925742
+H      1.98118658      1.90526634      0.03149900
+H      3.38689786      3.52667112     -0.81150084 
+
+16
+-1640.921896190454 11.210677 11.94073 -8.3169 -6.354 -8.399 1.3484 -0.2722 1.273 7.96387 -0.6157 5.2686362868 11.499329542 0.28438013
+C      0.93067473      0.02000789     -0.20196486
+N      2.26889924      0.49810157      0.12268556
+C      3.46874109     -0.29795348     -0.34011541
+C      4.25638758      1.04293325     -0.15713372
+C      2.90149649      1.56419154     -0.74386434
+C      2.95708352      0.93128866     -2.15452888
+C      3.34052935     -0.32730607     -1.88161100
+H      0.20381494      0.80230366      0.06149464
+H      0.71117843     -0.86060917      0.41921390
+H      0.79024215     -0.25174635     -1.26659449
+H      3.71364501     -1.22074167      0.20147927
+H      4.40334386      1.31604038      0.89586296
+H      5.15351612      1.18310593     -0.77107380
+H      2.55054465      2.59758884     -0.62653647
+H      2.75161458      1.41370824     -3.10767657
+H      3.53677827     -1.16391321     -2.54870679 
+
+18
+-1794.143780200446 11.5387 12.55835 -8.1579 -6.1665 -9.679 0.9729 0.0967 3.203 8.94561 -2.94226 7.7826756116 11.3162518144 0.213710254
+C      1.13511613      0.00114840      0.06075575
+N      2.58960777     -0.00282489     -0.07034187
+C      3.15158838      1.02080622     -1.04851168
+C      2.82844575      0.06002993     -2.22262630
+C      3.14025219     -0.97278678     -1.10807417
+C      4.64892716     -0.77441329     -0.87146402
+C      4.65808277      0.79132466     -0.82566116
+H      0.83947213      0.87050513      0.66671331
+H      0.82988778     -0.90134167      0.61084652
+H      0.55429931      0.03412743     -0.88401309
+H      2.76441039      2.04679398     -0.98739326
+H      3.46789050      0.08323341     -3.11915078
+H      1.77267938      0.07466540     -2.51599106
+H      2.74114933     -1.99604152     -1.10829591
+H      4.96756985     -1.22270566      0.07840100
+H      5.25882353     -1.18841507     -1.68689254
+H      5.27163537      1.24477092     -1.61706763
+H      4.98341228      1.18009340      0.14787689 
+
+18
+-1802.2160408525403 11.429924 12.3314 -8.4589 -6.4097 -9.842 0.8906 -0.0252 3.106 9.1743 -2.85718 7.89418862 11.2280977684 0.220786828
+C      0.71014069     -0.01922540     -0.30261403
+N      2.11159430      0.03016122      0.09461229
+C      3.13703474     -0.81170715     -0.52986787
+C      2.87682310     -1.48746574     -1.86897524
+C      2.53378640     -0.36171410     -2.88176159
+C      2.88143346      0.98620649     -2.19396034
+C      3.13986820      0.67816546     -0.72568696
+H      0.22883170      0.92011725      0.00746591
+H      0.22251008     -0.83692718      0.24854752
+H      0.50665150     -0.16627452     -1.37901717
+H      3.80835552     -1.31142623      0.17589001
+H      3.79122393     -2.02505526     -2.16584213
+H      2.07678176     -2.24308443     -1.80625359
+H      3.09597534     -0.48585974     -3.81868891
+H      1.46936478     -0.39557699     -3.15501780
+H      3.79774522      1.42534054     -2.61918900
+H      2.08432904      1.73543159     -2.32882350
+H      3.81346022      1.34061420     -0.17257760 
+
+16
+-1661.1106006095588 11.226213 11.75612 -8.5617 -6.5821 -8.959 1.4418 -0.1443 1.225 8.48041 -0.60686 5.8907236432 5.8907236432 0.239272633
+C      0.99300318     -0.00472667     -0.61373037
+N      2.14146497     -0.02559593      0.28363581
+C      3.34709912      0.73498523     -0.04630501
+C      3.59462151      1.19778668     -1.48391895
+C      3.68309078     -0.08750105     -2.27456214
+C      3.60804235     -1.16697907     -1.47459408
+C      3.37739004     -0.77875623     -0.05498066
+H      0.42041193      0.91250372     -0.41141769
+H      0.35032783     -0.86512692     -0.37689138
+H      1.23154960     -0.03881554     -1.69295872
+H      3.76382059      1.32103359      0.77711728
+H      4.53104835      1.77689301     -1.54629314
+H      2.79644030      1.86279658     -1.85867262
+H      3.75892720     -0.11130216     -3.36335789
+H      3.65359241     -2.20394082     -1.80994645
+H      3.77935984     -1.38164443      0.76344600 
+
+17
+-1670.6643806809254 11.036782 11.75602 -8.4482 -6.3071 -9.577 0.8492 -0.0785 3.301 9.16424 -3.07713 7.7578536144 11.4729701184 0.22842133
+C      0.71245907     -0.00213874     -0.15599396
+N      2.14388404      0.03031551      0.15028755
+C      3.11276263     -0.81618633     -0.54864237
+C      2.77687389     -1.43450038     -1.89541848
+N      2.23226043     -0.32418566     -2.69887075
+C      2.78611023      0.94485849     -2.19112427
+C      3.11854263      0.67249795     -0.73367970
+H      0.26613027      0.93772187      0.20090563
+H      0.25883877     -0.82111461      0.42142860
+H      0.47272650     -0.13508302     -1.22458116
+H      3.83038837     -1.34286746      0.08730240
+H      3.71011326     -1.87560438     -2.30286070
+H      2.03273950     -2.24726719     -1.82185860
+H      2.40311355     -0.44874669     -3.69583381
+H      3.72242292      1.26555573     -2.69330885
+H      2.04830672      1.75673632     -2.31955965
+H      3.84074720      1.33334858     -0.24530187 
+
+18
+-1783.0090155535843 11.891002 13.34337 -8.8289 -6.8193 -10.422 1.0071 0.129 3.1 9.72921 -2.67545 8.4080361984 11.289483237 0.287139947
+C      1.30725592     -0.18657157      0.07099945
+N      2.73828366     -0.15120859     -0.21564916
+C      3.10865142     -0.41828397     -1.60914321
+C      3.19319297      0.96801181     -1.05427008
+C      4.46728144      1.67322979     -0.70467505
+C      5.80752035      0.98501016     -0.73945421
+C      5.46584101      2.01219616     -1.79234388
+H      1.09992927      0.43091587      0.95739311
+H      1.00690800     -1.22078977      0.29584915
+H      0.68106351      0.18361090     -0.76747598
+H      2.30312286     -0.61241159     -2.32676445
+H      4.00681356     -1.02428578     -1.75069272
+H      2.39686478      1.63974528     -1.40624079
+H      4.34660470      2.42806539      0.07790962
+H      5.84406017     -0.06259889     -1.03745812
+H      6.52992062      1.25574184      0.03054025
+H      5.96228045      2.98229554     -1.75788811
+H      5.24685533      1.64755742     -2.79727583 
+
+17
+-1651.524749650807 11.391195 12.69969 -8.9583 -6.9102 -10.527 0.9694 0.0328 2.975 9.82341 -2.56956 8.4317423216 11.4948412488 0.214311376
+C      1.24909153     -0.10526455      0.05938946
+N      2.69514050     -0.13378370     -0.14389003
+C      3.13940369     -0.60201012     -1.46117268
+C      3.22411666      0.84523091     -1.10274152
+C      4.49393846      1.55385975     -0.73901296
+C      5.84827421      0.96747957     -0.91626697
+N      5.35008101      1.98256215     -1.87073626
+H      1.00624878      0.63152292      0.83903162
+H      0.91369693     -1.09384288      0.40564592
+H      0.68120153      0.15465860     -0.85761060
+H      2.37205535     -0.88271483     -2.19136182
+H      4.03346220     -1.22917068     -1.46260757
+H      2.48215475      1.48814924     -1.59678432
+H      4.38400010      2.25314106      0.09818116
+H      5.95737625     -0.03311044     -1.33950043
+H      6.61967246      1.24781714     -0.19457220
+H      5.77046559      2.89235587     -1.65691079 
+
+18
+-1787.7918174687734 12.46941 13.52435 -8.905 -6.9179 -9.253 1.1819 -0.0176 1.386 8.61972 -0.72272 6.4266035338 6.4266035338 0.41389825
+C      1.12360041      0.11964569     -0.07894422
+N      2.57516100     -0.00016979      0.03480067
+C      3.22348701     -0.80073231     -1.01365392
+C      3.35512597      0.68512713     -1.01086022
+C      4.59292793      1.41385211     -0.58681501
+C      4.35461450      2.67651147      0.19489152
+C      5.81579501      0.96887673     -0.90955325
+H      0.79374613      1.03858212      0.42782775
+H      0.64978741     -0.73727894      0.42225321
+H      0.76610799      0.15167337     -1.12903270
+H      2.58347312     -1.24551584     -1.78386707
+H      4.05681823     -1.42274668     -0.67976086
+H      2.75494960      1.21104268     -1.76891286
+H      3.76412016      3.39802839     -0.39352745
+H      5.29634821      3.15909785      0.48662631
+H      3.77426728      2.45476056      1.10377591
+H      5.95539542      0.05006768     -1.48157057
+H      6.71376460      1.51431777     -0.61259724 
+
+18
+-1785.6460886888979 12.662089 13.89734 -8.9026 -6.8858 -9.571 1.4392 0.0711 1.287 9.03716 -0.71064 6.669330926 6.669330926 0.488623498
+C      1.12836743     -0.34059821      0.01045061
+N      2.58019210     -0.23371347     -0.10315048
+C      3.12947429     -0.48884526     -1.44115597
+C      3.07893410      0.89988248     -0.88752157
+C      4.31411865      1.61990947     -0.37718227
+C      5.05969603      2.32555059     -1.47404622
+C      5.29967902      3.64085194     -1.51893414
+H      0.78565773      0.27079599      0.85816833
+H      0.85782183     -1.38780313      0.21085450
+H      0.58895805     -0.00948137     -0.90082390
+H      2.42630287     -0.73473133     -2.24462333
+H      4.07584472     -1.03645496     -1.46621576
+H      2.31790278      1.55207411     -1.33728289
+H      4.96444262      0.86764491      0.10094121
+H      4.02625338      2.34006608      0.40665717
+H      5.41481768      1.69142106     -2.29495904
+H      4.95862071      4.30829681     -0.72284142
+H      5.84766604      4.09508430     -2.34589482 
+
+16
+-1629.4705839329602 12.059158 13.49325 -9.0431 -7.0211 -9.896 0.9731 0.0699 2.273 9.47865 -1.85633 4.3725274718 10.596525483 0.379003618
+C      1.18108960     -0.16574856      0.10563131
+N      2.63095863     -0.10191130     -0.06229093
+C      3.14680944     -0.59797138     -1.34683729
+C      3.12016609      0.86263366     -1.04720286
+C      4.37774154      1.63711618     -0.67565698
+C      5.07667541      2.17464245     -1.83807511
+C      5.63802638      2.61277100     -2.82125141
+H      0.86827068      0.58644895      0.84429980
+H      0.90633089     -1.15889855      0.48994613
+H      0.62058742      0.01147887     -0.83498996
+H      2.42374587     -0.97008724     -2.08085532
+H      4.08829560     -1.15093010     -1.29698852
+H      2.36527594      1.44566451     -1.58949556
+H      5.04587336      0.97060751     -0.10696705
+H      4.10905875      2.46270107      0.00561605
+H      6.14781441      2.99958291     -3.67958232 
+
+19
+-1803.1632425816606 12.141439 13.52158 -8.8881 -6.7589 -10.389 1.0005 0.0708 3.123 9.75708 -2.79152 8.4583621158 11.6703434318 0.163772992
+C      0.94884677     -0.45351365     -0.01432910
+N      2.37996149     -0.59777842     -0.26639146
+C      2.78629158     -0.44532970     -1.66938212
+C      3.08721447      0.62580510     -0.67174072
+C      4.47098688      0.85599695     -0.11285487
+C      4.44751122      1.45171766      1.29628466
+N      5.81809929      1.69984857      1.77299851
+H      0.79314560     -0.15035363      1.03169338
+H      0.45345823     -1.42365345     -0.16817802
+H      0.45938000      0.29505263     -0.67141745
+H      2.00367294     -0.23905489     -2.40810338
+H      3.58122066     -1.11550664     -2.00760180
+H      2.46317332      1.52703600     -0.76064698
+H      5.03741992      1.52962888     -0.77718196
+H      5.00677112     -0.10818172     -0.09521373
+H      3.85261765      0.78356299      1.95091950
+H      3.92449241      2.42286301      1.26893957
+H      6.30426304      0.80608893      1.89082916
+H      5.79048341      2.12763136      2.70148681 
+
+19
+-1803.3106116968697 11.940073 13.08217 -8.5961 -6.5592 -10.098 0.8954 -0.055 2.991 9.4341 -2.62786 8.010239516 11.9566147072 0.135005922
+C      1.21837998     -0.02769109     -0.09081668
+N      2.67339068      0.08444622     -0.13704026
+C      3.35321710     -0.54604378     -1.27486592
+C      3.30347615      0.94925753     -1.15697550
+C      2.47745178      1.75648387     -2.13828195
+C      4.54122659      1.66703085     -0.63103658
+N      5.48332030      1.95938473     -1.72453690
+H      0.80492475      0.82649969      0.46554409
+H      0.96087819     -0.94433024      0.46005282
+H      0.72166451     -0.07457175     -1.07842398
+H      2.72854571     -0.99965626     -2.05368357
+H      4.26530907     -1.10270865     -1.03544663
+H      1.69767409      1.16397584     -2.63181392
+H      3.14497103      2.16189619     -2.91109851
+H      1.99761919      2.60962310     -1.63171090
+H      4.95741133      1.05516337      0.19121659
+H      4.22961860      2.62988874     -0.19032421
+H      5.90817181      1.08717178     -2.05181207
+H      6.25098913      2.53698985     -1.37618594 
+
+15
+-1540.6989900212532 10.890451 12.27831 -9.5234 -7.4435 -10.849 0.8265 -0.1496 1.384 10.13806 -0.99729 5.3837324906 11.9498574702 0.192523661
+C      1.15714311     -0.10087734      0.03130329
+N      2.61564020     -0.09167452     -0.06635786
+C      3.17872558     -0.62812096     -1.31337158
+C      3.18806721      0.83760023     -1.03694448
+C      4.45073185      1.56525714     -0.59478042
+C      5.24573330      2.04222371     -1.72437874
+N      5.86822016      2.41876803     -2.63609771
+H      0.83627465      0.67820027      0.73754298
+H      0.83251400     -1.07494054      0.42348216
+H      0.65054517      0.07213194     -0.93904612
+H      2.48258971     -0.98177334     -2.08107700
+H      4.09539549     -1.21363587     -1.20700722
+H      2.49117369      1.44407547     -1.62782421
+H      5.06449488      0.88920550      0.01907993
+H      4.19011102      2.42842027      0.03874697 
+
+18
+-1795.7877712355487 11.540025 12.50654 -8.0365 -6.0356 -9.564 0.9615 0.0858 3.11 8.79183 -2.85932 7.651548018 12.4960034016 0.08642009
+C      1.03554006      0.02448438     -0.01215648
+N      2.48842122      0.01983861      0.09288337
+C      3.03666066     -1.08416398      0.95030349
+C      3.90697881     -0.26333536      1.91617075
+C      4.53904543      0.77368469      0.93630355
+C      3.05707773      1.20037609      0.79496604
+C      2.91886220      0.87582439      2.31575462
+H      0.70618509     -0.88719979     -0.53198049
+H      0.71623396      0.88494656     -0.61933319
+H      0.50026543      0.07076915      0.96188770
+H      3.61360910     -1.80485998      0.34898628
+H      2.23562219     -1.62807509      1.48095306
+H      4.50097671     -0.81689592      2.65451629
+H      5.03661426      0.40093795      0.02984866
+H      5.15252575      1.52141324      1.45473659
+H      2.74788780      2.15320602      0.34662980
+H      3.38719637      1.63230010      2.95904701
+H      1.92965722      0.59664894      2.70794296 
+
+18
+-1799.3497952083783 11.434064 12.52506 -8.2748 -6.2753 -9.626 0.9546 0.0533 3.258 8.88341 -3.07982 7.7363048476 11.176965942 0.170237528
+C      1.09282168      0.05202505      0.38419210
+N      2.51834063      0.00695532      0.03803020
+C      2.84778170     -1.25748568     -0.66302986
+C      2.56021639     -1.04122597     -2.15946842
+C      3.64603027     -0.38163353     -2.97508004
+C      2.56094980      0.46420660     -2.35331247
+C      2.84861684      1.05237153     -0.96038319
+H      0.86848879      1.01015769      0.87451755
+H      0.86781653     -0.75054877      1.10113514
+H      0.41194374     -0.05983537     -0.48701585
+H      2.26790970     -2.08768407     -0.23761933
+H      3.91654957     -1.48221160     -0.50494749
+H      1.83062285     -1.67309702     -2.66666096
+H      4.64729183     -0.32570041     -2.53650277
+H      3.63320522     -0.52091931     -4.05727501
+H      1.83195515      0.94760683     -3.00424994
+H      3.91752260      1.30916557     -0.86419194
+H      2.26924669      1.96361314     -0.75931772 
+
+17
+-1668.4650722107024 10.873333 11.74384 -8.3485 -6.3041 -9.723 0.9161 0.0142 3.15 9.04723 -2.93536 7.696740915 11.2607060864 0.204862414
+C      1.10128104      0.04162673      0.37721371
+N      2.52087077     -0.00282413      0.00790510
+C      2.84449571     -1.27379356     -0.68825582
+C      2.69818018     -1.02793978     -2.19423046
+N      3.82027874     -0.36029248     -2.88791846
+C      2.69635643      0.45377382     -2.37788760
+C      2.84210154      1.06024631     -0.97763894
+H      0.88602105      0.99707778      0.87633268
+H      0.88755805     -0.76346674      1.09448168
+H      0.40490430     -0.06550265     -0.48276220
+H      2.18645519     -2.07804758     -0.33073215
+H      3.88247319     -1.57020562     -0.45112334
+H      2.10937707     -1.70925658     -2.81228520
+H      4.61683330     -0.27905708     -2.24101373
+H      2.10609606      0.96225975     -3.14334535
+H      3.87950911      1.40753905     -0.82055647
+H      2.18256826      1.92628275     -0.82702345 
+
+18
+-1784.975906759166 12.380103 13.16025 -8.3724 -6.3567 -9.306 1.578 -0.031 1.372 8.77968 -0.78083 6.4781693112 6.4781693112 0.384406533
+C      0.89659967      0.07333038      0.16378883
+N      2.34213565      0.15436361      0.11041337
+C      3.02249710      1.04802554      1.07476603
+C      4.15990506     -0.00925384      1.23096222
+C      3.12067727     -0.99882929      0.61604862
+C      5.40679985      0.23138312      0.42113696
+C      5.44240656      0.53753560     -0.88284181
+H      0.54024186     -0.69853645     -0.53428811
+H      0.45784705      1.03354473     -0.14537304
+H      0.51515001     -0.17312275      1.18114970
+H      2.45400429      1.17575927      2.01971226
+H      3.30584747      2.03417550      0.67543934
+H      4.42341722     -0.23021318      2.27232852
+H      3.48456905     -1.69053199     -0.15936314
+H      2.58564303     -1.56796323      1.40484966
+H      6.35391077      0.14294305      0.96397105
+H      4.52542294      0.63653375     -1.47014835
+H      6.39197515      0.69579617     -1.39614210 
+
+16
+-1630.4156834361181 12.184208 13.19694 -8.4888 -6.4567 -9.655 0.9115 -0.034 2.379 9.28896 -1.96557 4.342919615 10.441790955 0.672796997
+C      0.94963184      0.00243772      0.12077952
+N      2.39731906      0.01361877      0.06737938
+C      3.11237656      1.03639706      0.85971939
+C      4.19700478     -0.02957752      1.21947048
+C      3.12470894     -1.06994985      0.76142289
+C      5.41033897      0.01301565      0.42836271
+C      6.43690701      0.04246373     -0.22035430
+H      0.56399206     -0.86304712     -0.43789146
+H      0.55323814      0.91142222     -0.35513274
+H      0.55434845     -0.04853946      1.16103700
+H      2.55864598      1.35352186      1.76795451
+H      3.44109599      1.92126775      0.29542543
+H      4.44718929     -0.07776455      2.28817296
+H      3.46378002     -1.89444989      0.11746345
+H      2.57528949     -1.47676101      1.63589487
+H      7.33905340      0.06893463     -0.79618407 
+
+20
+-1935.0933317435217 12.358789 13.4422 -8.062 -6.0913 -9.514 0.9261 0.0258 3.028 8.70973 -2.68289 7.531715549 10.1187206348 0.112913537
+C      1.00550131     -0.02698102      0.00835873
+N      2.44976903     -0.04752076      0.13044749
+C      3.10628425      0.99670829      0.94099518
+C      4.16195011     -0.04412068      1.37627577
+C      3.15108252     -1.13433770      0.90427759
+C      2.34883618     -1.71441642      2.07647611
+C      3.69181925     -2.24184920      0.00639852
+H      0.65995196     -0.92808532     -0.52057444
+H      0.70856217      0.84213302     -0.59867799
+H      0.46610301      0.03796570      0.97882274
+H      2.48785093      1.34856124      1.79399160
+H      3.44795010      1.87540930      0.37044755
+H      5.06770036     -0.01687970      0.75628648
+H      4.43836615     -0.06174589      2.43803620
+H      1.95704672     -0.92638891      2.73649971
+H      2.99221199     -2.36951981      2.68264825
+H      1.49887613     -2.31740841      1.72211428
+H      4.26037060     -1.81104593     -0.82878385
+H      2.86893888     -2.84213539     -0.41313134
+H      4.34717835     -2.92276241      0.57129142 
+
+18
+-1789.7010911287223 12.686148 13.54817 -8.3854 -6.417 -9.541 1.4658 -0.0872 1.338 8.98338 -0.73724 6.6788530508 6.6788530508 0.459835251
+C      1.06169573     -0.36264656      0.35123466
+N      2.41099938      0.12458298      0.13998891
+C      2.88088945      1.27504389      0.94593736
+C      4.27684159      0.61591370      1.00226122
+C      3.53725346     -0.70819597      0.65023033
+C      4.14276311     -1.65995479     -0.32752196
+C      4.38472294     -2.95264262     -0.07859530
+H      0.91142238     -1.29019919     -0.22036309
+H      0.33656420      0.37978833     -0.01420548
+H      0.83890985     -0.57070158      1.42185748
+H      2.40857652      1.31577301      1.95022740
+H      2.77827327      2.25738742      0.45969798
+H      4.93215103      0.94716524      0.18601256
+H      4.81941734      0.64018541      1.95391388
+H      3.26011767     -1.24669191      1.58379287
+H      4.39297288     -1.23025579     -1.30433056
+H      4.13140668     -3.40084959      0.88602205
+H      4.84601252     -3.60435198     -0.82207032 
+
+16
+-1631.4071175659092 12.142569 13.22967 -8.6013 -6.6238 -9.733 0.9538 0.0369 2.358 9.31617 -1.89878 4.380735345 10.6150985858 0.406574833
+C      1.03645298     -0.03457002      0.02970607
+N      2.48406699      0.02328623      0.09317342
+C      3.11562214      1.06160823      0.94275343
+C      4.20948967      0.04025690      1.32440803
+C      3.18103532     -1.03925192      0.87427418
+C      3.62506414     -2.21171978      0.14027566
+C      4.00748210     -3.19556017     -0.46025086
+H      0.72971250     -0.92500983     -0.53787772
+H      0.65604790      0.85077021     -0.50041788
+H      0.55892340     -0.07383368      1.03416006
+H      2.49173406      1.33542026      1.81946250
+H      3.41264229      1.97630067      0.40879311
+H      5.07396072      0.07385618      0.65146084
+H      4.53596800      0.00090996      2.36895603
+H      2.57489216     -1.36330529      1.74997259
+H      4.34243563     -4.05890796     -0.99798946 
+
+19
+-1806.6274661889822 12.093348 13.18626 -8.3445 -6.3247 -9.776 0.9506 -0.0055 3.222 8.9956 -2.91791 7.9162209322 10.3892332896 0.126034266
+C      1.04380512      0.00691894      0.00971855
+N      2.49166658      0.01527084      0.09603404
+C      3.12480584      1.05008281      0.94753073
+C      4.17282119      0.00275546      1.38869003
+C      3.15024262     -1.05322327      0.89186449
+C      3.63559333     -2.25927413      0.10012265
+N      4.28548315     -3.22839323      0.99624373
+H      0.70573668     -0.87724331     -0.55064891
+H      0.69885492      0.89774395     -0.53639437
+H      0.55046319     -0.00293751      1.00771913
+H      2.47752715      1.35781969      1.79534834
+H      3.46756288      1.94911468      0.41189471
+H      5.07693765      0.02873310      0.76349588
+H      4.44852430     -0.01843560      2.44904539
+H      2.51537117     -1.40220534      1.73474090
+H      4.27106665     -1.89299854     -0.73120958
+H      2.76269024     -2.75485104     -0.35697017
+H      5.16975940     -2.84258016      1.33849655
+H      4.53151793     -4.07257734      0.47549791 
+
+15
+-1541.4693509917713 10.950807 11.98028 -8.9689 -6.9248 -10.214 0.75 -0.2907 1.505 9.43553 -1.1232 5.350863802 11.3338578264 0.380660635
+C      0.98284917      0.00085778      0.07993418
+N      2.43200949      0.01785765      0.07397379
+C      3.12034719      1.03937551      0.89002181
+C      4.20424181     -0.02281490      1.25332921
+C      3.14439002     -1.06627014      0.78128717
+C      5.40930230      0.03266667      0.44446183
+N      6.38752900      0.07662705     -0.19090727
+H      0.62125034     -0.86276217     -0.49641897
+H      0.60072139      0.91045602     -0.40521466
+H      0.55486315     -0.05690582      1.10565730
+H      2.55541163      1.33434315      1.79810839
+H      3.44735754      1.93625695      0.34532215
+H      4.48174171     -0.07435462      2.31356641
+H      3.49105012     -1.89476634      0.14769108
+H      2.58737512     -1.46578677      1.65359758 
+
+15
+-1541.8376875876195 10.894279 12.0033 -9.1393 -7.1329 -10.362 0.7884 -0.2209 1.458 9.55399 -1.03576 5.3917419862 10.5860238688 0.149271721
+C      1.02132083     -0.02668990      0.04038875
+N      2.47114332      0.01853624      0.09521910
+C      3.12478466      1.05274024      0.93612052
+C      4.20945976      0.01768051      1.31228054
+C      3.16548298     -1.04370798      0.86208937
+C      3.60921723     -2.20409344      0.09266822
+N      3.97096449     -3.13421705     -0.51180714
+H      0.70189008     -0.90375632     -0.54020679
+H      0.65028416      0.87045333     -0.47497111
+H      0.55095320     -0.07497673      1.04636298
+H      2.51192440      1.34020699      1.81475445
+H      3.43237660      1.95787400      0.39326752
+H      5.07464348      0.04557987      0.64091065
+H      4.53389564     -0.03254597      2.35631411
+H      2.57440919     -1.40574381      1.73115883 
+
+18
+-1804.4312188439133 11.571402 12.58009 -7.935 -5.9382 -9.301 0.9761 0.0868 3.301 8.58944 -2.97296 7.3842218034 11.0246119452 0.237562851
+C      1.41385431      0.28627168      0.60235103
+N      2.50448154     -0.15849086     -0.25417463
+C      2.26398312     -1.47544644     -0.86895403
+C      3.20003576     -1.51689012     -2.08916938
+C      3.29661339     -0.05741898     -2.51549102
+C      2.00687827      0.73847772     -2.61401611
+C      2.83760925      0.75210860     -1.33622481
+H      1.65925167      1.26521379      1.03860743
+H      1.28077499     -0.42653040      1.42949813
+H      0.44437803      0.37838159      0.06474918
+H      1.20703013     -1.58359554     -1.19510487
+H      2.46141158     -2.27958431     -0.14319992
+H      4.19998994     -1.87117673     -1.79498212
+H      2.82064539     -2.18625987     -2.87563939
+H      4.15188541      0.25907130     -3.11360329
+H      2.02637410      1.63665123     -3.23239259
+H      1.05457245      0.20471251     -2.62582270
+H      3.33693066      1.67429484     -1.03113092 
+
+15
+-1574.2490134708319 11.585633 11.83977 -7.5673 -5.6446 -7.682 0.8253 -0.1022 1.154 7.1974 -0.53316 4.6188256608 6.1189818692 0.447946447
+C      0.95813493      0.05293921      0.05069855
+N      2.40939506      0.01756564      0.00746948
+C      3.24034189      1.11542926     -0.09320367
+C      4.55000623      0.66860741     -0.10040425
+C      4.51653633     -0.75164466     -0.02215357
+C      3.18290513     -1.13545010      0.03943063
+N      2.54888109     -2.39455486      0.18837288
+H      0.62682542      0.89222342      0.67618345
+H      0.60602258     -0.88944399      0.48683433
+H      0.52477099      0.16515386     -0.95564709
+H      2.82782572      2.11779697     -0.15063441
+H      5.43291794      1.29842241     -0.15773965
+H      5.36660187     -1.42836287     -0.01542055
+H      2.36788601     -2.85050102     -0.70963295
+H      3.12723881     -3.02358068      0.74456682 
+
+15
+-1566.5050636160227 11.57385 11.74097 -7.586 -5.6944 -8.265 1.4109 -0.1373 0.864 7.58814 -0.32843 4.7529661142 11.8540782852 0.161327655
+C      1.10101598      0.02353605     -0.18903781
+N      2.53064112     -0.00701222      0.04369950
+C      3.30445123     -1.15786636      0.24665855
+C      4.60201809     -0.86186002      0.45456666
+C      4.75032452      0.63743953      0.39282590
+C      3.32684101      1.13684186      0.11919574
+N      2.84178178      2.32017526     -0.02831060
+H      0.82152363      1.07424207     -0.33116210
+H      0.54710167     -0.38257191      0.67184017
+H      0.83341870     -0.54752207     -1.09122745
+H      2.81902264     -2.13148023      0.21794895
+H      5.40219509     -1.57293072      0.63242702
+H      5.12933865      1.07178368      1.33235233
+H      5.42934157      0.97037402     -0.40904831
+H      3.58252433      3.02265105      0.05945145 
+
+15
+-1564.8345356645432 11.615177 11.68307 -8.1748 -6.3555 -8.877 0.9062 -0.7262 0.169 8.06352 0.30688 4.8414177266 5.1367771758 0.242206292
+C      1.15162712      0.02704770      0.26037770
+N      2.58825801      0.02200343      0.12700541
+C      3.33349549     -1.19830550     -0.13837625
+C      4.70931822     -0.68754868     -0.45636549
+C      4.70909734      0.65495861     -0.45226665
+C      3.35485158      1.15919743     -0.14711325
+N      3.03219377      2.41116260     -0.15593343
+H      0.83188856      0.92354271      0.81060164
+H      0.82966721     -0.84770467      0.84233564
+H      0.62810044      0.01261680     -0.71402267
+H      2.90849240     -1.76582932     -0.99157837
+H      3.32746112     -1.87757670      0.73535147
+H      5.55141050     -1.34752712     -0.65496168
+H      5.53936460      1.32744582     -0.65272607
+H      2.03367363      2.54530690      0.05118199 
+
+17
+-1705.3147226016863 11.567987 12.22979 -8.2578 -6.3712 -9.232 0.7937 -0.1358 1.206 8.36676 -0.54872 5.0267272022 5.8886158812 0.154082342
+C      1.14179451     -0.05315561      0.26015693
+N      2.49717027     -0.01951734     -0.24042514
+C      3.26744546      1.22268600     -0.20649884
+C      4.58576444      0.81926876     -0.88320581
+C      4.73980177     -0.65890313     -0.49603865
+C      3.31933633     -1.14379214     -0.24844240
+N      3.02613138     -2.38556227     -0.07376274
+H      0.62577487     -0.94719146     -0.11731132
+H      0.59362143      0.82641377     -0.10422302
+H      1.09521214     -0.06409666      1.36594555
+H      3.43429249      1.56480425      0.83574916
+H      2.73461547      2.02410650     -0.74170274
+H      4.48221321      0.91913254     -1.97360765
+H      5.42733423      1.44592719     -0.56168080
+H      5.23773760     -1.27629430     -1.25333987
+H      5.30483910     -0.77533272      0.44265744
+H      2.02826529     -2.51451337      0.13930988 
+
+20
+-1950.7394903161462 12.061084 13.10179 -7.8499 -5.8553 -9.282 0.9221 0.0075 3.157 8.50514 -2.93802 7.3115040144 13.2361626258 0.12389714
+C      0.98401587      0.03832632      0.15275542
+N      2.42886499      0.00605218     -0.04910352
+C      2.92453302     -1.28206857     -0.55148124
+C      2.62897096     -1.54157158     -2.03952004
+C      3.16067443     -0.38557789     -2.89892605
+C      2.63705157      0.96191837     -2.38161983
+C      2.93217449      1.10905885     -0.87816304
+H      0.70631629      0.99855256      0.61325488
+H      0.70038858     -0.76183085      0.85311233
+H      0.36740891     -0.08431875     -0.76292638
+H      2.50662552     -2.08398468      0.07760251
+H      4.01970834     -1.29291860     -0.40022657
+H      3.08620681     -2.49630016     -2.34611276
+H      1.54163598     -1.65019242     -2.19303901
+H      4.26554396     -0.38295606     -2.85334256
+H      2.89057493     -0.52931460     -3.95695275
+H      3.10034369      1.79645829     -2.93252783
+H      1.55034267      1.03245586     -2.55975769
+H      4.02754628      1.15307072     -0.73446386
+H      2.52003271      2.05298101     -0.48752202 
+
+18
+-1810.77528954767 12.417891 13.26841 -7.9997 -5.933 -8.438 0.9077 0.0268 1.55 8.00115 -0.86482 5.7324059198 5.7324059198 0.24435941
+C      1.22270888     -0.06823992      0.51029248
+N      2.42853168      0.02259172     -0.28880653
+C      2.76980775     -1.19449755     -1.04286418
+C      3.54426134     -0.66057683     -2.21432506
+C      3.38448234      0.66668550     -2.32808302
+C      3.93694705      1.58836765     -3.36521693
+C      2.47087221      1.15131051     -1.22637274
+H      1.08755126      0.85637130      1.09088455
+H      1.31010411     -0.89934604      1.22546575
+H      0.30249087     -0.23092677     -0.09720896
+H      1.86489822     -1.74690573     -1.39588321
+H      3.34463853     -1.89696804     -0.41270799
+H      4.12523827     -1.29249833     -2.88697769
+H      4.56422206      2.37089696     -2.90762124
+H      3.12802037      2.10927445     -3.90396264
+H      4.54556637      1.04789706     -4.10224656
+H      2.83875374      2.06723989     -0.72749968
+H      1.46771493      1.40004416     -1.65443637 
+
+20
+-1934.109852571144 12.557549 13.70226 -8.2571 -6.2373 -9.74 0.8994 0.0026 2.95 8.96762 -2.60695 7.8176644608 12.2977497876 0.113242624
+C      1.02287031     -0.00629696      0.11875757
+N      2.47114565      0.01131066      0.08720441
+C      3.17120794      1.04414203      0.88512862
+C      4.27050291     -0.00387190      1.23673125
+C      4.74372472     -0.04323799      2.68407046
+C      5.44511275      0.03948651      0.25857822
+C      3.19501908     -1.05274646      0.82012400
+H      0.64920942     -0.88364232     -0.43029878
+H      0.62852503      0.89277485     -0.37818277
+H      0.60982034     -0.04152475      1.15281822
+H      2.60095499      1.35067327      1.78782710
+H      3.47149638      1.94381083      0.32224346
+H      3.89760986     -0.07444592      3.38577218
+H      5.35067091      0.84430968      2.92361254
+H      5.37056768     -0.93006575      2.86880241
+H      5.08651909      0.06803039     -0.77994439
+H      6.08714476     -0.84742142      0.37805276
+H      6.06805015      0.93076442      0.43364594
+H      3.51522253     -1.90882705      0.20285236
+H      2.63253551     -1.42745213      1.70173443 
+
+18
+-1808.6201527199742 11.875775 12.55699 -8.0586 -6.0393 -9.039 0.9099 -0.0216 1.419 8.5305 -0.78349 6.229118633 6.229118633 0.338978549
+C      0.95837556      0.02306453     -0.47562708
+N      2.27845371     -0.00092825      0.15422857
+C      3.08508861      1.17971267     -0.18119254
+C      3.47946938      1.26462767     -1.66766774
+C      3.95592225     -0.07221835     -2.16854309
+C      3.75442622     -1.20486560     -1.47850643
+C      3.02374734     -1.22805341     -0.15609013
+H      0.44704815      0.95759802     -0.20057971
+H      0.35776583     -0.81313129     -0.08826267
+H      0.96924307     -0.05176002     -1.58335777
+H      4.00169224      1.13533362      0.43132841
+H      2.53147010      2.08014865      0.12830663
+H      4.26777510      2.02470957     -1.80265165
+H      2.62749476      1.61438834     -2.28003003
+H      4.48184088     -0.10354752     -3.12718588
+H      4.14178713     -2.15646334     -1.85533520
+H      2.31911895     -2.07541469     -0.12669540
+H      3.75143072     -1.41763061      0.65781171 
+
+18
+-1808.2617718642616 12.504859 13.30101 -8.3125 -6.3076 -9.081 1.3547 -0.0321 1.464 8.48696 -0.80468 6.3307003628 6.3307003628 0.399570664
+C      1.07174001      0.00527120     -0.12822577
+N      2.49864411     -0.02761433      0.13514857
+C      2.98866665      1.10435577      0.92864811
+C      4.41394901      0.67376561      1.29515810
+C      4.29528671     -0.83577374      1.42245457
+C      5.20014638     -1.67076857      1.94337561
+C      2.93884120     -1.22185046      0.86611920
+H      0.78556678     -0.85372543     -0.75261353
+H      0.81485698      0.92253794     -0.67780096
+H      0.46110909     -0.02534746      0.80331345
+H      2.38270982      1.25125467      1.85368889
+H      2.94307878      2.03435770      0.34253315
+H      5.10596358      0.92414572      0.47545207
+H      4.78789019      1.14900650      2.21239329
+H      5.03024077     -2.74873143      1.97755883
+H      6.14332687     -1.30531015      2.35397601
+H      2.97052105     -2.10269513      0.20587370
+H      2.24843201     -1.45975841      1.71199670 
+
+15
+-1539.7527705009902 11.83013 11.63666 -7.6142 -5.7299 -8.056 0.4503 -1.1505 -0.042 7.56196 0.56293 3.6553428534 6.0987969484 0.411893301
+C      1.01421888     -0.02014876      0.18286558
+N      2.46456766      0.02025478      0.24193596
+C      3.08040420      1.23973077     -0.29647754
+C      4.54343529      1.21818975      0.06190866
+C      5.16308286      0.02031714      0.08429633
+C      4.36946485     -1.17871612     -0.08397161
+N      3.06467286     -1.17812194      0.03540263
+H      0.59799400      0.78573113      0.80385778
+H      0.67625844     -0.98804867      0.56740672
+H      0.64346252      0.10705909     -0.85347407
+H      2.56409083      2.10269007      0.14991546
+H      2.92481546      1.30474145     -1.40316255
+H      5.06870700      2.15639383      0.24331790
+H      6.23086492     -0.07050369      0.29114595
+H      4.83027024     -2.16196883     -0.18690720 
+
+15
+-1540.1563727435407 12.534642 12.00215 -7.6029 -5.7777 -8.218 0.3981 -1.1774 -0.2 7.69275 0.67243 4.1378963654 4.1378963654 0.32853195
+C      1.11913313      0.00625864     -0.22312222
+N      2.56697103     -0.04413207     -0.30480288
+C      3.27295331     -1.22450386      0.23877018
+C      4.61539792     -0.64340682      0.63812647
+C      5.74392920     -1.30005990      0.97467548
+C      4.39363439      0.79200934      0.54978704
+N      3.22177248      1.10522701      0.06109065
+H      0.69204089     -0.81458751     -0.81499479
+H      0.78337786      0.96144234     -0.64285675
+H      0.75016612     -0.07600814      0.81820773
+H      3.33913556     -2.02886593     -0.50755206
+H      2.72951854     -1.61282660      1.12292289
+H      5.79337048     -2.38880275      0.99886271
+H      6.64950727     -0.75285853      1.23776346
+H      5.10545184      1.57410478      0.80787208 
+
+17
+-1684.7481887774275 11.972586 12.58556 -7.7697 -5.8444 -8.638 0.8997 -0.021 0.936 8.08556 -0.25136 5.0819133708 12.3880983858 0.134210012
+C      1.17701903      0.03450058     -0.07873859
+N      2.47208409     -0.09525208      0.56912604
+C      3.31678730     -1.21802316      0.10495995
+C      4.71994551     -0.73446353      0.48005674
+C      4.49293490      0.76623446      0.46005414
+C      5.57427524      1.79005794      0.52273927
+N      3.23690478      1.07645107      0.50131650
+H      0.55969633     -0.83852251      0.17410343
+H      1.25865520      0.10433344     -1.18318564
+H      0.68287347      0.93790944      0.29755530
+H      3.22611469     -1.33042852     -0.99687173
+H      3.01528149     -2.15965009      0.58273145
+H      5.50561644     -1.07254696     -0.20926532
+H      5.00688229     -1.05436969      1.49878782
+H      5.14387390      2.79854597      0.50490262
+H      6.27388136      1.68457436     -0.32154361
+H      6.17013399      1.67961928      1.44469163 
+
+17
+-1680.2312795922242 11.771154 12.18521 -7.8457 -5.9231 -8.647 0.9642 -0.1436 0.878 8.02886 -0.24322 4.6698211026 11.274976875 0.194012835
+C      0.99389876     -0.04507642     -0.11138766
+N      2.41777532      0.08929485     -0.38723995
+C      3.06207416      1.23748967      0.25098441
+C      4.50791847      1.34859098     -0.22888459
+C      5.24861941      0.04384684      0.08772123
+C      4.34255284     -1.14648622     -0.09700775
+N      3.06714703     -1.12263718     -0.31174004
+H      0.46894370      0.85255289     -0.46777322
+H      0.78013140     -0.17574883      0.96849959
+H      0.61755790     -0.92175052     -0.65065452
+H      2.48600234      2.13842511     -0.00704106
+H      3.03571432      1.12587894      1.35728250
+H      4.99915131      2.21139365      0.24319788
+H      4.50492851      1.52462636     -1.31525547
+H      5.63913350      0.05033684      1.12103793
+H      6.13279797     -0.07026978     -0.56129438
+H      4.78457307     -2.14766719     -0.09264491 
+
+15
+-1572.3202761145437 11.819158 12.06319 -7.1626 -5.2898 -7.669 0.8829 0.0179 1.129 7.12322 -0.55415 4.6077289138 5.843770145 0.353184495
+C      0.97074111      0.02197096      0.01467447
+N      2.42025056      0.00377921      0.00725620
+C      3.23882483      1.10453702     -0.00669645
+C      4.55628552      0.67353992     -0.05539696
+C      4.53546845     -0.75261561     -0.06957486
+N      5.66592444     -1.59189447     -0.19412791
+C      3.20177474     -1.14359683     -0.03077797
+H      0.62795663      1.05801358      0.11925717
+H      0.57672265     -0.56130059      0.86053787
+H      0.56213366     -0.38960589     -0.92133684
+H      2.82327924      2.10706336      0.01837762
+H      5.43554092      1.31107927     -0.08316331
+H      5.48617199     -2.53599489      0.14520143
+H      6.47446439     -1.21724868      0.30103602
+H      2.74790088     -2.12954635     -0.03436646 
+
+15
+-1557.3151926563598 11.399415 11.59416 -7.7672 -5.8403 -8.163 1.4539 -0.187 0.879 7.6533 -0.23801 4.3511894812 11.9520272252 0.30191917
+C      1.03455756     -0.02138320     -0.30255061
+N      2.47940071      0.00449945     -0.10865502
+C      3.10464487      1.23748358      0.16072301
+C      4.39750312      1.27953150      0.51994292
+C      5.18767142     -0.00278341      0.56266887
+N      4.34261849     -1.18635530      0.81116721
+C      3.12140863     -1.11484725      0.43503170
+H      0.72531717     -1.04056879     -0.56518855
+H      0.76030113      0.63912653     -1.13628295
+H      0.47978528      0.29417952      0.59875037
+H      2.46036081      2.11527591      0.10407014
+H      4.85818260      2.22797236      0.79579077
+H      5.73130934     -0.16683494     -0.39032555
+H      5.96371077      0.03671760      1.34401410
+H      2.46952811     -1.98940354      0.55490358 
+
+19
+-1808.7010233440276 12.118142 13.07159 -8.3807 -6.352 -9.809 0.8748 -0.0554 3.022 9.04655 -2.70272 7.8319848438 12.358862487 0.17708618
+C      1.02264681     -0.00576869      0.09002738
+N      2.47175530     -0.00632650      0.08557361
+C      3.17136647      1.02968210      0.88291806
+C      4.26692510     -0.01718152      1.23236888
+C      4.79098498     -0.05001726      2.65808832
+N      5.39097307      0.10151436      0.29798359
+C      3.16969738     -1.06923456      0.84593281
+H      0.64777571     -0.88457524     -0.45550835
+H      0.64848050      0.89272558     -0.42312340
+H      0.59285148     -0.02421676      1.11738888
+H      2.60241754      1.33880977      1.78470554
+H      3.49097810      1.92238996      0.32211464
+H      3.96914911     -0.09841489      3.38507406
+H      5.39437449      0.84617919      2.86174526
+H      5.43411653     -0.93073270      2.81769123
+H      5.02699551      0.09024286     -0.65971271
+H      5.99845523     -0.71905134      0.38601106
+H      3.48206954     -1.94418640      0.25161184
+H      2.59451716     -1.41071797      1.73320931 
+
+19
+-1804.5260598270202 12.097713 13.17311 -8.3252 -6.2654 -9.751 0.9517 0.0014 3.181 9.00477 -2.87516 7.8811824886 10.7512972068 0.10101172
+C      0.95975314      0.03326598      0.09818917
+N      2.40816939      0.03372036      0.07705415
+C      3.11663697      1.01679042      0.92890396
+C      4.18522512     -0.06596468      1.24852801
+C      5.44183818     -0.01019454      0.38891603
+N      6.32489333      1.08173376      0.83429459
+C      3.11690137     -1.07664919      0.75680163
+H      0.57853814     -0.80963351     -0.49754754
+H      0.58020631      0.96172789     -0.35415013
+H      0.54003682     -0.04954736      1.12695723
+H      2.54050094      1.30156237      1.83368644
+H      3.43397065      1.93572868      0.40572398
+H      4.46697083     -0.14118172      2.30709075
+H      5.14148336      0.05116578     -0.67665476
+H      5.99457306     -0.95640248      0.51498476
+H      5.87942266      1.98264792      0.63778581
+H      7.18721720      1.07416297      0.28458760
+H      3.44405903     -1.89320110      0.09107034
+H      2.53920353     -1.50668157      1.60134796 
+
+19
+-1824.7111262794278 12.001544 12.81019 -8.3802 -6.3538 -9.706 0.9147 -0.0156 3.247 8.93985 -2.94178 7.781671325 11.575828904 0.150796532
+C      1.16747071     -0.07146025     -0.19701862
+N      2.57318000     -0.12369977      0.16378465
+C      3.04444860      1.06270949      0.88757241
+C      4.41949464      0.63728100      1.43405383
+C      4.39798099     -0.92061661      1.41881404
+N      5.40443035     -1.42353519      0.47115745
+C      2.92945477     -1.22933500      1.05406678
+H      0.88229961     -0.98917079     -0.73168117
+H      0.98491826      0.78160431     -0.86691779
+H      0.50140524      0.03591438      0.68925755
+H      2.35349919      1.31444350      1.72635782
+H      3.08668586      1.93436338      0.21700732
+H      5.24143240      0.98347202      0.79241917
+H      4.59752386      1.03746080      2.44116018
+H      4.64511962     -1.33448342      2.40789316
+H      5.12792068     -1.13444822     -0.47337423
+H      5.39355133     -2.44756160      0.46890662
+H      2.80881424     -2.20152399      0.55128469
+H      2.29350965     -1.23330406      1.97361613 
+
+17
+-1697.1776118026016 11.573377 12.11414 -8.0094 -6.0804 -8.89 0.802 -0.1686 1.098 8.07426 -0.46379 4.8369294334 8.0051436914 0.167326325
+C      0.96057034     -0.04609276      0.01500255
+N      2.39536591      0.04764251     -0.16211853
+C      3.04955240      1.27927808      0.26615317
+C      4.48704636      1.29889700     -0.25275793
+C      5.19502017     -0.01078749      0.10951026
+N      4.44273841     -1.21325731     -0.25808723
+C      3.16351625     -1.08806360     -0.33817516
+H      0.45168628      0.77083293     -0.52139661
+H      0.66547085      0.00570065      1.08044974
+H      0.60221045     -1.00003958     -0.39382896
+H      2.47629534      2.13384773     -0.13101563
+H      3.03217499      1.36236396      1.37153473
+H      5.02139315      2.16719066      0.16077663
+H      4.47023435      1.41189306     -1.34843317
+H      5.40213194     -0.04359457      1.19541420
+H      6.17749038     -0.05815053     -0.38680161
+H      2.56921242     -1.97231073     -0.60728643 
+
+17
+-1700.418064262129 11.523484 12.30668 -8.027 -6.0822 -8.94 0.8232 -0.1039 1.114 8.22865 -0.42681 5.1083719832 12.2153610906 0.28543188
+C      1.18030213      0.01489442     -0.40075543
+N      2.63031731      0.00433370     -0.33120667
+C      3.27867999     -1.17274783      0.26763984
+C      4.68655003     -0.61679400      0.56645806
+N      4.53293682      0.84929720      0.62409779
+C      3.37457178      1.10879068      0.11110062
+C      2.85979247      2.50066057     -0.07975012
+H      0.83404003     -0.80538064     -1.04535921
+H      0.82940099      0.95508455     -0.84313341
+H      0.70676411     -0.10760032      0.59491529
+H      3.27387060     -2.02904490     -0.42243161
+H      2.74591054     -1.46739269      1.19551184
+H      5.39295901     -0.86474416     -0.24525800
+H      5.11181888     -1.00406962      1.50282892
+H      1.95072135      2.68349246      0.51298663
+H      2.61351890      2.68769910     -1.13573030
+H      3.63557503      3.20561147      0.23642577 
+
+19
+-1817.2204708040867 11.684441 12.44653 -7.5649 -5.5607 -9.122 0.9137 -0.0214 3.276 8.52333 -3.09458 7.2246146256 11.7764010562 0.167764413
+C      0.98481287      0.03851286      0.16828062
+N      2.42887542      0.00590901     -0.04533150
+C      2.92095466     -1.27991256     -0.56159018
+C      2.65988482     -1.48337176     -2.06256226
+N      3.15467716     -0.37157326     -2.89243255
+C      2.66729551      0.92032777     -2.37951038
+C      2.92808746      1.11110303     -0.87679137
+H      0.71394677      0.99691969      0.63657224
+H      0.70816191     -0.76527917      0.86725129
+H      0.35865707     -0.07843009     -0.74107659
+H      2.46922191     -2.09258067      0.03145426
+H      4.01240377     -1.31357891     -0.38298191
+H      3.12717623     -2.41837063     -2.41055575
+H      1.57648863     -1.58186029     -2.25035971
+H      4.18014918     -0.37003416     -2.85654907
+H      3.14042620      1.73027534     -2.95730158
+H      1.58446004      0.97364450     -2.58763468
+H      4.01985688      1.18339447     -0.71208311
+H      2.48172351      2.05236484     -0.51491778 
+
+15
+-1548.2469946105555 10.796936 11.41538 -7.9372 -6.0598 -8.739 0.8412 -0.106 1.008 7.9924 -0.38073 5.0393241798 12.5906171182 0.167219959
+C      1.05351931      0.00008233     -0.02064999
+N      2.48889123      0.07780297      0.15372492
+C      3.20419513      1.22102544      0.44998006
+N      4.46550569      1.22300219      0.14327495
+C      4.74309929     -0.06889390     -0.43065233
+C      4.54631622     -1.30089930      0.43242383
+C      3.40747049     -0.85963767     -0.44797441
+H      0.63243973     -0.87175312      0.50288776
+H      0.77653355     -0.06444670     -1.08831501
+H      0.59488586      0.90644715      0.39475727
+H      2.69749452      2.05607282      0.93928754
+H      5.48501668     -0.10290579     -1.23058782
+H      5.08681081     -2.19400386      0.11872269
+H      4.44683104     -1.16252880      1.51087488
+H      3.02573046     -1.46797377     -1.27054435 
+
+15
+-1560.731349389705 11.66168 11.73893 -7.6791 -5.8243 -8.223 1.269 -0.2631 0.745 7.52161 -0.11623 4.7825615724 9.5150080036 0.249786526
+C      1.11176430      0.03151664     -0.23082222
+N      2.52087353      0.02092704      0.08619885
+C      3.27601515     -1.06200634      0.52598741
+N      4.52586647     -0.84439004      0.74041841
+C      4.72770791      0.58363727      0.41902193
+C      3.37169117      1.13067523     -0.01552246
+C      3.01906869      2.36869259     -0.41116417
+H      0.57003678      0.74608978      0.41007381
+H      0.69752429     -0.97064194     -0.06884560
+H      0.94896792      0.31438361     -1.28379369
+H      2.78550764     -2.02790542      0.66790607
+H      5.11916991      1.11046068      1.30372909
+H      5.48466365      0.68182772     -0.37505621
+H      3.76427562      3.16047752     -0.45388610
+H      1.99855696      2.62033565     -0.69633512 
+
+15
+-1532.6978562055278 10.905676 11.4451 -7.8931 -5.9763 -8.611 1.1392 -0.1578 0.789 8.0434 -0.18069 4.848658509 12.0242366716 0.18613682
+C      1.11022178      0.05239562      0.03266518
+N      2.50363206     -0.03681501      0.44388561
+N      3.10349413      1.19549267      0.67255763
+C      4.31106299      1.17649335      0.18483912
+C      4.69928898     -0.09258840     -0.46537417
+C      4.63673720     -1.33390579      0.41763787
+C      3.39544198     -0.90506471     -0.30371335
+H      0.63083210     -0.92920521      0.14421109
+H      0.99510974      0.39734661     -1.01314469
+H      0.60986306      0.76975290      0.69331322
+H      4.94266879      2.05829759      0.28392550
+H      5.33514074     -0.09866533     -1.35270796
+H      5.14136175     -2.22152998      0.03712922
+H      4.67269222     -1.19714624      1.49928865
+H      2.95330247     -1.52026807     -1.08955291 
+
+20
+-1935.5553488767785 12.590367 13.96785 -8.577 -6.4733 -9.839 0.9048 0.0103 3.098 9.14818 -2.74403 7.9740604012 10.751693962 0.279449905
+C      2.58631364     -0.88514924     -0.43152508
+N      2.22399765      0.36158828      0.24483141
+C      3.30278238      1.31712738      0.27202141
+C      3.45799376      2.23330019     -0.92714875
+C      3.00301449      2.80111057      0.40322820
+C      1.56245056      3.25596982      0.53204291
+C      3.99999927      3.63412491      1.18682111
+H      1.74404308     -1.58937846     -0.38000334
+H      3.48549984     -1.38417712     -0.01338345
+H      2.78649829     -0.67496363     -1.49275441
+H      1.92402747      0.15629732      1.20102906
+H      4.24725757      0.98794846      0.73771893
+H      2.70059234      2.13041460     -1.70628054
+H      4.46429685      2.46398890     -1.28068965
+H      0.88452867      2.57651441      0.00079386
+H      1.44066658      4.27013064      0.11991352
+H      1.25283128      3.28850550      1.58966804
+H      5.02454733      3.25052879      1.07482490
+H      3.75537839      3.63595489      2.26146216
+H      3.99455055      4.68017378      0.84073972 
+
+18
+-1789.7796851387059 12.642961 13.75862 -8.7776 -6.6719 -9.247 1.2495 0.0237 1.325 8.7557 -0.73686 6.4223012196 6.4223012196 0.430406254
+C      2.03651960     -0.72818091     -0.32213571
+N      1.86448541      0.68351538      0.03243028
+C      3.11815181      1.37539870      0.19146667
+C      3.73708659      2.00530865     -1.03325971
+C      3.12750182      2.88984245      0.02951958
+C      3.93404041      3.73512289      0.94299347
+C      5.23631768      4.02578167      0.82114552
+H      1.05264294     -1.21424468     -0.37466436
+H      2.67128713     -1.29972158      0.38611400
+H      2.50029792     -0.79736823     -1.31733155
+H      1.32609421      0.75365332      0.89970171
+H      3.83569536      0.98193553      0.92932585
+H      3.17958039      1.90976973     -1.96533902
+H      4.82224838      1.97230117     -1.13054111
+H      2.13910148      3.28767685     -0.21795486
+H      3.38606407      4.14145441      1.80186943
+H      5.83114743      3.66847944     -0.02259099
+H      5.74893736      4.63855521      1.56362081 
+
+16
+-1634.553627750453 12.362271 13.64081 -8.8799 -6.7662 -9.362 0.9439 0.0396 2.269 8.99281 -1.84359 4.3026985566 9.4709929736 0.263340199
+C      2.83131236     -1.11385426     -0.51503609
+N      2.36742595      0.12357103      0.12000640
+C      3.38113086      1.14374562      0.16453625
+C      3.49144272      2.07027428     -1.01351240
+C      2.90051772      2.58387995      0.29779157
+C      3.62306594      3.51624889      1.11143886
+C      4.23834120      4.30589485      1.80162447
+H      2.02832014     -1.86265934     -0.48040375
+H      3.73786208     -1.55026788     -0.04862210
+H      3.06066850     -0.91405899     -1.57203876
+H      2.04815747     -0.07725651      1.07102868
+H      4.32544756      0.92075449      0.68399810
+H      2.78312091      1.92243150     -1.82882738
+H      4.47839228      2.43856454     -1.29045591
+H      1.81322379      2.69190236      0.29898050
+H      4.77830053      5.00311949      2.40831159 
+
+19
+-1806.9439909370117 12.189857 13.62906 -8.6783 -6.53 -9.908 0.9303 0.0075 3.291 9.21495 -2.96303 8.0221545706 11.0788682188 0.205729711
+C      1.79031598     -0.61492621     -0.79755889
+N      1.80256115      0.55215128      0.08562461
+C      3.06407528      1.25023201      0.08104874
+C      3.24979968      2.35684015     -0.93448925
+C      3.08049560      2.68542700      0.53693704
+C      4.24345938      3.22834617      1.33395549
+N      4.31069947      4.69315605      1.20358841
+H      0.82431272     -1.13118678     -0.70891201
+H      2.59839489     -1.34845228     -0.59440661
+H      1.89880693     -0.28059532     -1.84023175
+H      1.57590982      0.26464635      1.04084851
+H      3.96901581      0.66030924      0.30425289
+H      2.40713962      2.56062753     -1.59556646
+H      4.23955845      2.47640341     -1.38014283
+H      2.10518835      3.09501280      0.81051620
+H      5.16820573      2.70111485      1.01727830
+H      4.09729157      2.99588936      2.40289971
+H      4.45935129      4.93834620      0.22057837
+H      5.11715828      5.05478820      1.71792953 
+
+19
+-1808.3500411020216 12.193979 13.29476 -8.4923 -6.3925 -9.746 0.8391 -0.0928 3.225 9.37854 -2.88497 7.8253515928 12.9341327298 0.234825736
+C      2.59016125     -0.90269695     -0.44448731
+N      2.22432928      0.33489976      0.24791134
+C      3.29768990      1.29332281      0.29977469
+C      3.47383753      2.21641649     -0.89887769
+C      3.00971150      2.79062834      0.41357721
+C      1.57949821      3.26356361      0.54771865
+N      3.94512980      3.66127545      1.11109187
+H      1.74292345     -1.60251063     -0.41943309
+H      3.47917872     -1.41429455     -0.02054098
+H      2.80848717     -0.67503697     -1.49846976
+H      1.90738623      0.11703926      1.19547251
+H      4.23970050      0.97384406      0.77935057
+H      2.73007911      2.12589036     -1.69218837
+H      4.48664155      2.44261268     -1.23802286
+H      0.89228714      2.56520764      0.05534810
+H      1.47050672      4.26389776      0.10486386
+H      1.29031463      3.33265057      1.60961564
+H      4.90822469      3.36373968      0.93876008
+H      3.79503263      3.58935062      2.12273551 
+
+15
+-1545.76328242175 11.088184 12.37111 -9.3895 -7.2676 -10.402 0.7982 -0.1711 1.405 9.68645 -1.0177 5.277154125 11.1568554128 0.296220063
+C      2.90265775     -1.10548345     -0.47588375
+N      2.37908154      0.12341396      0.13035051
+C      3.35053471      1.18088750      0.17973308
+C      3.46209045      2.07981730     -1.01721091
+C      2.79690010      2.59966990      0.25273408
+C      3.46176691      3.57878619      1.06279587
+N      4.01161540      4.37104558      1.72321811
+H      2.12307341     -1.87849600     -0.45286644
+H      3.80860023     -1.50578247      0.02118828
+H      3.15316152     -0.91184769     -1.52895157
+H      2.04290437     -0.07419095      1.07599966
+H      4.28333720      1.01716615      0.73994972
+H      2.78672890      1.88504226     -1.84992853
+H      4.43954262      2.48700686     -1.27154588
+H      1.70865490      2.67633487      0.22697776 
+
+19
+-1801.5965060729752 12.197975 13.52725 -8.5159 -6.3835 -9.798 0.9614 0.0633 3.574 9.19696 -3.28811 7.9922367488 11.4278640116 0.271549067
+C      2.33500488     -0.97560858     -0.82755501
+N      2.17793909      0.18739620      0.04731358
+C      3.33987435      1.03914547      0.06874148
+C      3.43738917      2.11586166     -0.99166408
+C      3.15372386      2.49250520      0.44200279
+N      4.20474813      3.13200923      1.19270762
+C      4.00778851      3.04771862      2.64029464
+H      1.44115546     -1.61101943     -0.75639572
+H      3.22486973     -1.59888532     -0.60202355
+H      2.42359307     -0.63463256     -1.86961896
+H      1.96519244     -0.12380499      0.99835101
+H      4.30395842      0.60543279      0.37675429
+H      2.61079778      2.18948519     -1.69859115
+H      4.42912201      2.34982400     -1.37900276
+H      2.11206104      2.77256204      0.66415669
+H      4.27631505      4.11177952      0.90882119
+H      4.08235011      1.99575836      2.95522244
+H      3.02789385      3.43501853      2.98962933
+H      4.80340305      3.60633407      3.15274616 
+
+20
+-1936.7566777765012 12.487878 13.87876 -8.5356 -6.4436 -9.983 0.9365 0.0515 3.081 9.24362 -2.81758 8.0411368272 9.907969232 0.107369545
+C      2.11386783     -0.49506226     -1.36869525
+N      2.26238814      0.08155495     -0.03224713
+C      3.09088410      1.27883441     -0.02360590
+C      2.44880237      2.60153282     -0.52105921
+C      3.18524511      3.33190410      0.63400933
+C      3.34016212      1.95989783      1.34937922
+C      4.61243307      1.65564765      2.12414839
+H      1.54191852     -1.43112505     -1.30601895
+H      3.07640977     -0.70546871     -1.88224258
+H      1.54361159      0.19894169     -2.00467057
+H      2.68568785     -0.61484455      0.58763833
+H      4.06607080      1.12853613     -0.54285223
+H      1.36202972      2.57484086     -0.35311938
+H      2.65385175      2.92415036     -1.55064426
+H      4.16226599      3.72402107      0.31152646
+H      2.64535144      4.12694199      1.16565154
+H      2.45095885      1.77789558      1.97650254
+H      5.50379127      1.82303915      1.49938798
+H      4.63764758      0.61187706      2.47494241
+H      4.70053212      2.30097492      3.01171926 
+
+20
+-1933.7018260416626 12.453218 13.81237 -8.2933 -6.2467 -9.637 0.9122 0.0085 3.195 8.98083 -3.24114 7.6322557964 10.887024681 0.168188803
+C      2.07234454     -0.69414273     -1.26850888
+N      1.82762538      0.41913893     -0.34865445
+C      3.02496767      1.13770796      0.06207578
+C      3.81056330      0.40015263      1.12916270
+C      3.78308826      1.98107501     -0.96274011
+C      2.91796072      2.64432661      0.09750864
+C      3.51594485      3.50455016      1.18865229
+H      2.66738424     -0.41978572     -2.16385461
+H      1.10812119     -1.10182030     -1.60168644
+H      2.60502675     -1.50361281     -0.74818739
+H      1.17304731      1.07499325     -0.77861526
+H      4.71954273      0.94318601      1.41672120
+H      4.12714075     -0.58941449      0.76685049
+H      3.18972319      0.24939394      2.02481804
+H      3.42599966      1.97950095     -1.99431665
+H      4.86685593      2.07447129     -0.85833336
+H      1.95920519      3.02370748     -0.27449199
+H      4.50342792      3.14100115      1.50470897
+H      2.86871851      3.53389026      2.07867031
+H      3.64754191      4.53841041      0.83485069 
+
+20
+-1935.212244528232 12.549666 14.10947 -8.5319 -6.4185 -9.795 0.9366 0.0596 3.321 9.13683 -3.01153 7.9680966746 11.2358468934 0.148927572
+C      2.75634809     -0.99192975     -0.68353928
+N      2.26985809      0.25235306     -0.08508108
+C      3.29533275      1.25896847      0.03244553
+C      3.44971415      2.29352557     -1.07780123
+C      2.57905755      2.26431246     -2.31351133
+C      2.87616204      2.69138982      0.26675765
+C      3.64092136      3.58210514      1.21982805
+H      1.95498399     -1.74382355     -0.67113015
+H      3.64540033     -1.42043192     -0.17500647
+H      3.02983537     -0.80887220     -1.73323637
+H      1.87683973      0.05905816      0.83892992
+H      4.23857961      0.95082662      0.51504860
+H      4.48253699      2.61456444     -1.24687267
+H      1.60701938      1.80519416     -2.08756923
+H      3.04873256      1.68122962     -3.12122988
+H      2.40278455      3.28116857     -2.69700360
+H      1.79056689      2.83260564      0.25992868
+H      4.71987758      3.37074189      1.17870051
+H      3.31316332      3.43693934      2.26123837
+H      3.50300567      4.64557445      0.97048400 
+
+19
+-1811.191913643574 12.099974 13.21544 -8.6357 -6.5243 -10.037 0.8499 -0.0936 3.093 9.32015 -2.83483 8.0048957194 8.2778137026 0.088348075
+C      2.20181504     -0.52280122     -1.42310208
+N      2.33398024      0.03984482     -0.07847931
+C      3.12325976      1.25982185     -0.04740901
+C      2.45682434      2.57766222     -0.52376341
+C      3.19337151      3.30957211      0.63141295
+C      3.34913440      1.94023912      1.33828680
+N      4.53213770      1.73078663      2.15594160
+H      1.65354777     -1.47406599     -1.37370581
+H      3.17064486     -0.70129350     -1.93716200
+H      1.61509738      0.16528569     -2.05049827
+H      2.77772799     -0.65390055      0.53057217
+H      4.11103656      1.15216869     -0.55606517
+H      1.37169800      2.53566818     -0.34953485
+H      2.65139326      2.91321111     -1.55034720
+H      4.17276513      3.69413191      0.30724388
+H      2.66418637      4.10482426      1.17169421
+H      2.45896571      1.74540520      1.95944072
+H      5.37566638      1.74345582      1.57665721
+H      4.50367759      0.82465367      2.62841757 
+
+19
+-1806.179965842632 12.015792 13.06489 -8.283 -6.2131 -9.573 0.8776 -0.0686 3.135 9.03576 -2.77833 7.5347408074 12.2550614078 0.174690213
+C      2.12998198     -0.71886517     -1.30772185
+N      1.84242197      0.35677227     -0.35663744
+C      3.00783282      1.10388029      0.08201733
+C      3.79197042      0.40519685      1.17193290
+C      3.76658183      1.97962266     -0.92297641
+C      2.86988273      2.61928342      0.10851762
+N      3.42191913      3.50490587      1.10819477
+H      2.71028169     -0.39597441     -2.19656624
+H      1.18355055     -1.15947764     -1.65067416
+H      2.69917719     -1.51772160     -0.80976861
+H      1.15953665      0.99864926     -0.76371395
+H      4.63282848      1.01755518      1.52512683
+H      4.21173237     -0.54669026      0.81293962
+H      3.13590008      0.18417552      2.02732205
+H      3.44054810      1.98189899     -1.96452822
+H      4.84549278      2.09796312     -0.79121342
+H      1.90997724      2.98759830     -0.27496465
+H      4.41982290      3.33424079      1.24003886
+H      2.96820109      3.36053656      2.01402496 
+
+19
+-1806.9195232035768 12.114373 13.36446 -8.6091 -6.4734 -9.866 0.8734 -0.0396 3.402 9.19981 -3.05064 7.919791729 11.6190132278 0.138023574
+C      2.77912898     -1.00212179     -0.70490166
+N      2.27404605      0.21538561     -0.06705925
+C      3.27505257      1.23890092      0.08270659
+C      3.42890969      2.29273590     -1.01878812
+C      2.59765163      2.26255786     -2.28161309
+C      2.82176120      2.67382656      0.30313986
+N      3.48796745      3.62316264      1.17118140
+H      1.98673840     -1.76360288     -0.72332290
+H      3.67002395     -1.43705356     -0.20576162
+H      3.05614914     -0.77957807     -1.74584181
+H      1.87660419     -0.01323542      0.84691516
+H      4.21889955      0.95803236      0.58161581
+H      4.46081659      2.63356585     -1.15597561
+H      1.62902123      1.78134021     -2.09221695
+H      3.10428791      1.70058099     -3.08124791
+H      2.41291560      3.28149193     -2.65347067
+H      1.73477369      2.80298117      0.28272243
+H      4.49713447      3.60511074      1.00969621
+H      3.34465770      3.37266899      2.15356214 
+
+20
+-1952.6325851264635 12.282228 13.51595 -8.564 -6.4716 -10.012 0.9305 0.0081 3.261 9.25832 -2.962 8.0881399198 11.7422553118 0.182284331
+C      2.14192306     -0.30607613     -1.53032855
+N      2.30120844      0.13946350     -0.14639836
+C      3.03291027      1.39972485     -0.01511733
+C      2.22583789      2.62998675     -0.46521604
+C      2.94513720      3.82517640      0.19491019
+C      3.67153946      3.24477726      1.44607634
+C      3.35313327      1.73528955      1.44833531
+H      1.69895886     -1.31161923     -1.54136891
+H      3.09016189     -0.33622487     -2.10923274
+H      1.44859646      0.36294050     -2.06118818
+H      2.80400448     -0.58268133      0.37486477
+H      3.98688509      1.38020059     -0.59549542
+H      1.20171711      2.51731299     -0.07187502
+H      2.15504954      2.73206404     -1.55753420
+H      3.67596863      4.26786234     -0.49819940
+H      2.23861628      4.62496605      0.45767298
+H      4.75624496      3.41181495      1.37005940
+H      3.34396198      3.72679084      2.37784074
+H      4.17236792      1.12533901      1.85857976
+H      2.44931721      1.52515194      2.04416468 
+
+20
+-1935.4005638976644 12.283301 13.41978 -8.419 -6.3423 -9.812 0.9216 0.0147 3.049 9.05922 -2.73488 7.7402847982 10.8701253892 0.128132911
+C      1.63930112     -0.53988620     -1.05287470
+N      2.21797927      0.04907574      0.15523420
+C      3.09390226      1.20592390     -0.06973770
+C      4.31337664      0.92701407     -0.95938203
+C      2.33956226      2.50619191     -0.49603238
+C      3.12989932      3.28798285      0.58774025
+C      3.49612027      1.93303289      1.24915787
+H      0.95769076     -1.35245183     -0.76368011
+H      2.36750810     -0.94898394     -1.78217258
+H      1.03798590      0.22146668     -1.57353756
+H      2.74642959     -0.66771126      0.66236201
+H      4.93710771      1.82647715     -1.07410878
+H      4.01413788      0.60486699     -1.96790041
+H      4.94311027      0.13790396     -0.51792581
+H      1.27277403      2.42774500     -0.24360785
+H      2.44560609      2.83226539     -1.54075484
+H      4.00880530      3.80219667      0.17393128
+H      2.56457493      4.00436486      1.19781875
+H      4.52834246      1.79485026      1.60287529
+H      2.79324584      1.66793488      2.05143511 
+
+16
+-1668.213595155016 12.020695 12.42053 -8.3432 -6.3565 -8.288 0.7135 -0.8724 0.64 7.82291 -0.0948 4.6192100174 7.5029631956 0.468690379
+C      2.92390932     -1.22991628     -0.44279172
+N      2.31097414     -0.01318337      0.08784577
+C      3.19661577      1.15366675      0.02559061
+C      2.73082091      2.33865710      0.83573206
+C      2.76282258      3.44779986      0.06232239
+C      3.18013091      3.07933388     -1.29714769
+C      3.39972522      1.74567848     -1.35302087
+H      2.25223332     -2.08067251     -0.26474575
+H      3.91679875     -1.46587007     -0.00257510
+H      3.05414231     -1.13846965     -1.53134331
+H      2.05142983     -0.16683586      1.06441519
+H      4.22909677      0.90832587      0.39812601
+H      2.46273296      2.28069264      1.88995175
+H      2.52755658      4.46231443      0.38408528
+H      3.29349106      3.78444189     -2.12078905
+H      3.72124956      1.17433682     -2.22132557 
+
+18
+-1811.3934386131768 12.11601 12.91931 -8.6655 -6.5446 -8.946 0.9295 0.0248 1.45 8.4609 -0.81546 6.1126585832 6.1126585832 0.299806744
+C      2.98612344     -1.10258119     -0.51980821
+N      2.44382329      0.09584052      0.11998150
+C      3.29485765      1.27492051     -0.05306566
+C      3.27571325      1.83028620     -1.50508250
+C      3.31055113      3.32497061     -1.30604044
+C      3.07356174      3.66700392     -0.03181549
+C      2.83737903      2.45784077      0.83769029
+H      2.35979753     -1.96910368     -0.26691551
+H      4.03527161     -1.33151043     -0.23359798
+H      2.95892608     -0.98478872     -1.61347827
+H      2.34003743     -0.08527120      1.12150191
+H      4.35574838      1.04769815      0.19881438
+H      2.34330782      1.52334652     -2.01355000
+H      4.11482480      1.45944987     -2.11452734
+H      3.47230006      4.03008257     -2.12327569
+H      3.01214777      4.69011917      0.34274274
+H      3.38253807      2.49787246      1.79426731
+H      1.76286090      2.35576395      1.07914895 
+
+20
+-1935.6077454204637 12.469429 13.80759 -8.5294 -6.4299 -9.962 0.9525 0.0552 3.13 9.24571 -2.88112 8.0593875664 10.055450579 0.089581536
+C      2.04550912     -0.56399676     -1.30859905
+N      2.23005264      0.05941862      0.00189401
+C      3.14177861      1.19512956     -0.03824411
+C      2.56471299      2.53602918     -0.57462683
+C      3.25030887      3.27669691      0.61457458
+C      4.56208873      3.96982887      0.25892436
+C      3.41959310      1.89380583      1.31528880
+H      1.40803260     -1.45316396     -1.20875171
+H      2.99292632     -0.86442539     -1.80569338
+H      1.52923114      0.14051555     -1.97849141
+H      2.60275031     -0.63489596      0.65586864
+H      4.09225861      0.95113370     -0.56180461
+H      1.46863195      2.53753227     -0.48454754
+H      2.85074063      2.84994930     -1.58926345
+H      2.59704003      3.98150422      1.15070700
+H      5.24299880      3.29417028     -0.28194291
+H      5.08518941      4.31574702      1.16391818
+H      4.38475305      4.84671604     -0.38274574
+H      4.38387214      1.69218916      1.80495882
+H      2.60113098      1.69069556      2.02147633 
+
+18
+-1810.6283478816413 12.233005 13.0003 -8.6099 -6.5008 -9.006 0.9827 0.0158 1.453 8.50395 -0.80809 6.1673612064 6.1673612064 0.314262586
+C      2.46108003     -0.44531166     -1.65606863
+N      2.35614998      0.08963585     -0.29905523
+C      3.22475503      1.25429878     -0.06471121
+C      3.32750764      1.59596185      1.44087019
+C      3.37576268      3.14093345      1.52369160
+C      2.78486961      3.56522818      0.20172773
+C      2.69234362      2.54320164     -0.65901655
+H      1.88659720     -1.37928836     -1.72645857
+H      3.50371317     -0.64896024     -1.98290170
+H      2.02058851      0.26300722     -2.37384226
+H      2.62579317     -0.64233480      0.36327008
+H      4.24341379      1.06884430     -0.48639043
+H      4.18474071      1.11125115      1.92845065
+H      2.40556688      1.23311308      1.92242649
+H      4.41162811      3.51256652      1.62273084
+H      2.82094791      3.53797944      2.38842590
+H      2.50564520      4.59719049     -0.01909465
+H      2.33129674      2.61801310     -1.68553425 
+
+17
+-1703.1803929989967 11.783189 12.49694 -8.1283 -6.1852 -9.099 0.8368 -0.0732 1.251 8.37876 -0.55139 4.697705554 5.8595535628 0.206524668
+C      1.14809106     -0.09836192      0.29911551
+N      2.34910323      0.11981014     -0.48224895
+C      2.92161409      1.26565694     -0.44594428
+C      2.61281594      2.52785326      0.36489440
+C      3.59362606      3.58023856     -0.18284212
+C      4.75023225      2.73751559     -0.74673032
+N      4.04774380      1.54759678     -1.21373303
+H      1.29110829     -0.97032287      0.95895684
+H      0.30892772     -0.35250269     -0.37082175
+H      0.83007614      0.75268059      0.93067176
+H      2.80045691      2.31667905      1.43049860
+H      1.56151973      2.83038967      0.27475263
+H      3.12139718      4.14362147     -1.00070171
+H      3.93009860      4.29811080      0.57613668
+H      5.27618374      3.23856595     -1.57227332
+H      5.49195754      2.50680387      0.04375833
+H      4.56090772      0.74798482     -1.57666926 
+
+13
+-1414.886026591128 11.427171 11.17856 -9.5188 -7.5981 -9.81 -1.1784 -2.8689 -1.345 9.00336 1.7219 3.3611116768 4.9469422112 0.51788831
+C      0.99243361     -0.10762463      0.00653239
+N      2.44613337     -0.04093104     -0.00502445
+C      3.01276701      1.11073250     -0.00570522
+C      2.44324598      2.48519347      0.00424103
+C      3.50290734      3.32438851     -0.00077539
+C      4.70921426      2.46207152     -0.01414943
+N      4.44769578      1.18950564     -0.01686006
+H      0.68181000     -1.15946678     -0.00233027
+H      0.55267964      0.38911065     -0.87400538
+H      0.56982571      0.36813158      0.90683552
+H      1.38704918      2.73984829      0.01409674
+H      3.49749798      4.41329472      0.00394666
+H      5.73831012      2.82990557     -0.02120214 
+
+15
+-1562.99634495409 11.647045 11.9394 -7.7831 -5.8583 -8.372 0.7567 -0.1537 0.87 7.77502 -0.29061 4.9052829152 11.972894069 0.214397652
+C      1.06356775      0.06165570      0.23792016
+N      2.45442384      0.01265854     -0.18486557
+C      3.07751146      1.13081011     -0.25674286
+C      4.53498124      1.31199857     -0.67478798
+C      4.75090892      2.80285423     -0.59425520
+C      3.60395696      3.38060406     -0.19174995
+N      2.60205304      2.42020138      0.01922438
+H      0.65694334     -0.95758339      0.28096765
+H      0.42922128      0.63968555     -0.46316047
+H      0.94030934      0.50869100      1.24455115
+H      4.69228307      0.90408018     -1.68597995
+H      5.19476667      0.74151606     -0.00170066
+H      5.67789234      3.31941979     -0.82157112
+H      3.38428287      4.43230821     -0.02168504
+H      1.65312789      2.62650003      0.30527545 
+
+15
+-1571.174149605272 11.616493 11.92326 -7.6376 -5.75 -7.701 0.8856 -0.045 1.125 7.23005 -0.52031 4.630319163 6.2792585714 0.401042203
+C      2.84561031     -1.07386093      0.64153605
+N      2.92336107     -0.18267620     -0.53059453
+C      3.34076093      1.13981581     -0.25423880
+C      2.67648663      2.29046023      0.15143116
+C      3.64302550      3.33370723      0.25090323
+C      4.87455138      2.79697838     -0.08312798
+N      4.67729679      1.46761855     -0.38932983
+H      2.52594357     -2.07225058      0.31115727
+H      2.15365569     -0.71634967      1.42629335
+H      3.84385943     -1.17192487      1.08940430
+H      2.02473582     -0.16513696     -1.01377502
+H      1.61314257      2.36275022      0.36231505
+H      3.46155812      4.36439026      0.54152103
+H      5.86090051      3.24569440     -0.12903436
+H      5.37371168      0.81960414     -0.74142093 
+
+19
+-1820.6451598716296 11.828795 12.73996 -8.6779 -6.5709 -9.974 0.8637 -0.0775 3.167 9.32683 -2.86319 8.037020492 11.143613708 0.108493975
+C      1.89927422     -0.27519545     -1.38821748
+N      2.13886562      0.41142982     -0.12011463
+C      3.24240886      1.37889794     -0.17712087
+C      2.79310229      2.72937520     -0.79200310
+C      2.63994020      3.65384610      0.43127805
+N      3.68012022      3.23438751      1.38795267
+C      3.69586765      1.76664791      1.26702777
+H      1.12846199     -1.04599859     -1.24877093
+H      2.80473191     -0.75530997     -1.81777725
+H      1.52007256      0.43764758     -2.13555444
+H      2.35483261     -0.28708601      0.59572426
+H      4.10116183      0.96843180     -0.75169038
+H      1.86484592      2.61997458     -1.37094319
+H      3.57043701      3.12229499     -1.46640747
+H      2.73372358      4.72330325      0.19856232
+H      1.65496704      3.49570068      0.90100643
+H      4.58016217      3.59694617      1.05954541
+H      4.68589889      1.36887857      1.52874646
+H      2.96172545      1.34917791      1.97894639 
+
+19
+-1801.2345175819057 11.777073 12.70548 -8.3741 -6.2579 -9.765 0.8358 -0.1053 3.008 9.15042 -2.66987 7.6861029162 11.4263389838 0.103389618
+C      1.67969529     -0.58111952     -1.10890542
+N      2.23999926     -0.00092512      0.11209599
+C      3.10648535      1.16419890     -0.09452806
+C      4.35501097      0.90454469     -0.94713342
+C      2.34544789      2.45641713     -0.51479260
+N      2.88622029      3.20763548      0.66639228
+C      3.43885726      1.92680881      1.21926367
+H      1.02260123     -1.41896182     -0.83723921
+H      2.41992545     -0.95325909     -1.84536503
+H      1.05520370      0.17143686     -1.61453404
+H      2.76693217     -0.71878050      0.61844716
+H      4.96341681      1.81739781     -1.04241137
+H      4.09280761      0.57540282     -1.96355186
+H      4.98597477      0.12805691     -0.48534827
+H      1.25210842      2.34751055     -0.43934318
+H      2.60218671      2.87645486     -1.49945134
+H      3.65075158      3.81947787      0.37128420
+H      4.50118441      1.95575566      1.50706499
+H      2.83692084      1.57502770      2.07174550 
+
+19
+-1808.716903078067 12.064991 13.12432 -8.6082 -6.4693 -9.968 0.8829 -0.0441 3.132 9.28881 -2.89193 8.0396117994 8.430862021 0.091485424
+C      2.03622645     -0.53098312     -1.30923167
+N      2.22830173      0.07373667      0.00889969
+C      3.14430686      1.20496833     -0.01895506
+C      2.57124913      2.55318566     -0.54322727
+C      3.24688206      3.28597394      0.65017488
+N      4.44490816      4.02451110      0.24816154
+C      3.42319351      1.88940102      1.34174456
+H      1.39522084     -1.41856671     -1.21935495
+H      2.98088560     -0.82868666     -1.81290971
+H      1.52138047      0.18493320     -1.96800893
+H      2.59654193     -0.63090245      0.65395236
+H      4.09385770      0.96015659     -0.54628040
+H      1.47472651      2.55960449     -0.46325061
+H      2.87121355      2.89453426     -1.54395535
+H      2.59835456      3.98643736      1.19657716
+H      5.09031785      3.40660595     -0.25307726
+H      4.94891816      4.35027706      1.07799157
+H      4.38961179      1.69184304      1.82880455
+H      2.60479313      1.67933025      2.04772488 
+
+15
+-1569.6183953737118 11.694748 11.91381 -6.9811 -5.1536 -7.609 0.8842 0.0244 1.099 7.07572 -0.53996 4.568078191 5.8239199864 0.360747954
+C      2.88292083     -1.18359709      0.51732684
+N      2.30227869      0.02105205     -0.06249492
+C      3.06489972      1.20194158      0.00246143
+C      2.57983368      2.50171471     -0.12049972
+N      3.66931701      3.35687478     -0.06712402
+C      4.82532706      2.63744642      0.08696254
+C      4.48599873      1.29302752      0.13771861
+H      2.14421039     -1.99391573      0.46489848
+H      3.20662767     -1.06537099      1.57060486
+H      3.75623082     -1.49936478     -0.07279690
+H      1.34607709      0.17203432      0.25290891
+H      1.57067031      2.87622729     -0.25284004
+H      3.61417275      4.36517089     -0.13604699
+H      5.79136663      3.12594214      0.15375833
+H      5.18553862      0.47220689      0.25869260 
+
+19
+-1803.6892420181784 11.998298 13.16759 -8.4495 -6.3199 -9.866 0.8449 -0.0644 3.133 9.44639 -2.85302 7.947564593 11.5135755334 0.110354073
+C      2.16790466     -0.53562419     -1.44253491
+N      2.26196671      0.02446532     -0.09398050
+C      3.10353864      1.20927006     -0.03499346
+C      2.49240536      2.55524281     -0.49244305
+N      3.01653819      3.24120474      0.74148243
+C      3.29031758      1.88588291      1.34447390
+C      4.60061405      1.72398881      2.08735545
+H      1.57865390     -1.46233584     -1.41750422
+H      3.15072474     -0.75580865     -1.91152308
+H      1.63948742      0.17415418     -2.09703484
+H      2.64399147     -0.68494654      0.53739496
+H      4.09602206      1.06162953     -0.52130901
+H      1.39093012      2.53052759     -0.47468857
+H      2.83372623      2.97855145     -1.44762188
+H      3.91874713      3.67417469      0.51461239
+H      2.44134644      1.62593484      2.00212193
+H      5.45849709      1.92455147      1.42612809
+H      4.70803329      0.70250904      2.48291851
+H      4.65294491      2.41738777      2.93983588 
+
+19
+-1806.2790914894467 11.902353 13.03819 -8.543 -6.4425 -9.697 0.8411 -0.1545 3.157 8.98644 -3.53326 7.6690424426 11.1635878526 0.319257809
+C      0.79331568      1.44619498      0.89271802
+N      1.74481322      1.10414244     -0.16434762
+C      3.11671308      1.50216571      0.08401270
+C      3.81317967      0.94927342      1.32335813
+N      3.81849868     -0.52556058      1.31441497
+C      3.94628194      1.71818833     -1.15658039
+C      3.47371861      2.90762769     -0.34615846
+H      1.00929087      1.01006172      1.89032537
+H     -0.21134849      1.11727133      0.59162849
+H      0.76393419      2.53993531      1.01141337
+H      1.71683373      0.10217724     -0.36887175
+H      3.34450322      1.38506993      2.22987513
+H      4.85936059      1.29168871      1.31883354
+H      2.89061596     -0.87448993      1.57006124
+H      4.45018941     -0.87099181      2.04009446
+H      3.45419385      1.54086746     -2.11264614
+H      5.00078780      1.44364651     -1.11420137
+H      4.20777693      3.45778549      0.24510895
+H      2.66908106      3.51040603     -0.76755865 
+
+19
+-1797.805038974901 12.236481 13.23819 -8.088 -6.0316 -9.621 0.9293 0.0083 3.33 8.92507 -3.0446 7.8181728034 11.3692930252 0.142850294
+C      1.73060542     -0.57670315     -1.16952132
+N      2.15185866      0.16751208      0.01528472
+C      3.37742106      0.92281379     -0.20119127
+C      3.15053090      2.30961945     -0.86527588
+N      3.21188640      2.94479338      0.47188976
+C      3.93214855      4.19391485      0.59780245
+C      3.83125012      1.72719516      1.04108277
+H      0.84755074     -1.18390039     -0.92804377
+H      2.51437303     -1.24460457     -1.58780815
+H      1.43796782      0.12801360     -1.96303753
+H      2.29797935     -0.48219742      0.79163086
+H      4.17621717      0.32023401     -0.68067131
+H      2.20074542      2.46077124     -1.40224275
+H      3.99886749      2.59127309     -1.52227037
+H      3.97776031      4.49288067      1.65597430
+H      3.40070389      4.98669132      0.05021647
+H      4.97499233      4.14077785      0.20712917
+H      4.93714725      1.78513512      1.10735826
+H      3.42254408      1.41540992      2.01683360 
+
+15
+-1562.5605050653119 12.022116 11.99509 -7.9881 -6.1324 -8.638 0.7927 -0.8311 0.166 8.00256 0.32993 4.3987257136 4.9782486762 0.350977287
+C      1.02921740     -0.06410874     -0.09481315
+N      2.39914442      0.06926697      0.35250597
+C      3.00864006      1.19463554      0.22491986
+N      4.34376699      1.36209527      0.60918988
+C      4.73761782      2.75973410      0.59998492
+C      3.56195972      3.42008989     -0.06204967
+C      2.58522707      2.52329957     -0.28211782
+H      0.96348126     -0.87042084     -0.84448271
+H      0.57761467      0.84312323     -0.53847973
+H      0.39269443     -0.37464622      0.75071569
+H      4.73496947      0.70172332      1.27302896
+H      5.67321978      2.92477657      0.03384696
+H      4.89950099      3.16880980      1.61720301
+H      3.54695102      4.47959968     -0.31418209
+H      1.62074491      2.72331187     -0.74078010 
+
+20
+-1934.0665399092002 12.659133 14.39885 -8.6118 -6.4481 -10.055 0.9553 0.0752 3.225 9.32628 -2.93049 8.1457686126 10.8375046726 0.167391998
+C      1.07539877      0.33428218      0.87831720
+N      2.53194032      0.42525785      0.91503229
+C      3.05157219      1.50998112      0.08132334
+C      4.56095473      1.51407644      0.06219524
+C      5.30673711      0.63153406     -0.92241336
+C      5.31550826      2.13524858     -1.08791628
+C      6.57829736      2.92900068     -0.84082317
+H      0.74319395     -0.53555269      1.46191414
+H      0.64868549      0.25247432     -0.14504684
+H      0.64099745      1.23225234      1.34548331
+H      2.93932749     -0.45572147      0.59029969
+H      2.67912745      2.46190910      0.50135830
+H      2.67501658      1.46359249     -0.96768737
+H      5.02246343      1.61956985      1.04821290
+H      4.71598286      0.04292977     -1.62782888
+H      6.22770799      0.15055622     -0.58801107
+H      4.68906941      2.51300549     -1.90198222
+H      7.16276834      2.49164270     -0.01743743
+H      6.35059307      3.97166345     -0.57058638
+H      7.22204775      2.94546753     -1.73372340 
+
+19
+-1805.578845821614 12.217619 13.63869 -8.6261 -6.464 -9.977 0.9355 0.0198 3.183 9.52023 -2.84121 8.0809239346 11.9561063646 0.154860071
+C      1.16016561      0.94568984     -0.91472720
+N      2.36297731      1.25169506     -0.14572756
+C      3.45338934      1.76642976     -0.97627742
+C      4.71391897      1.96203029     -0.17020941
+C      5.64614427      0.78359444      0.08086490
+C      6.08205277      1.89962392     -0.82559141
+N      7.20468221      2.73414301     -0.44840251
+H      0.40200615      0.50159299     -0.25466747
+H      1.32728233      0.25497905     -1.76974168
+H      0.73927100      1.87849627     -1.32204767
+H      2.69071982      0.40715529      0.33063660
+H      3.12353912      2.73284928     -1.39959845
+H      3.67704394      1.10602379     -1.84739327
+H      4.62030978      2.66809233      0.66018315
+H      5.40148334     -0.18047047     -0.37007542
+H      6.12489568      0.71133894      1.05971538
+H      6.08154887      1.66414504     -1.89451836
+H      7.30019593      2.76063766      0.56926716
+H      7.04536355      3.69890351     -0.75185935 
+
+19
+-1801.6298661201677 12.263611 13.31876 -8.3345 -6.2966 -9.593 0.8949 -0.0259 3.399 8.83984 -3.08379 7.576908446 12.7237656836 0.164136814
+C      2.95757951     -0.99397286     -0.61907319
+N      2.35592824      0.16152045      0.04305043
+C      1.72741518     -0.21545157      1.30625839
+C      3.30130139      1.23295872      0.22137025
+C      3.58521096      2.13716084     -0.96152755
+C      2.79928063      2.66696070      0.20688154
+N      3.34827212      3.73356085      1.01651140
+H      3.40157355     -0.68065626     -1.57398441
+H      2.18253547     -1.74647689     -0.82721224
+H      3.75258979     -1.47825577     -0.00898381
+H      0.95492114     -0.97676458      1.12336149
+H      1.24523178      0.66418613      1.75498573
+H      2.45093540     -0.63069456      2.04378914
+H      4.15797424      1.03528278      0.89288676
+H      3.04402101      1.93633504     -1.88659238
+H      4.60815381      2.49591657     -1.09419830
+H      1.72413329      2.76778026      0.03360639
+H      4.37022994      3.70641010      0.99891888
+H      3.06768254      3.62043007      1.99473147 
+
+20
+-1933.6483014858031 12.527228 13.99939 -8.6113 -6.4679 -10.06 0.9625 0.0632 3.101 9.32672 -2.82282 8.1429789276 10.1379756606 0.129035992
+C      1.08387171      2.27854486     -0.27486389
+N      2.51985966      2.17038025     -0.51768262
+C      3.16882388      1.18800022      0.35014813
+C      4.66974279      1.14412971      0.12355816
+C      5.55414825      2.32443033      0.62731891
+C      6.63266738      1.28439542      1.03350639
+C      5.52975048      0.19280590      1.00009281
+H      0.66344794      3.08437003     -0.89250537
+H      0.81329152      2.47326873      0.78535343
+H      0.59166184      1.34005572     -0.57444647
+H      2.95590750      3.08318191     -0.36287984
+H      2.73507683      0.19745183      0.12161631
+H      2.97081142      1.37409829      1.43261066
+H      4.86807100      0.96149027     -0.94515962
+H      5.10562145      2.79955004      1.51530114
+H      5.83694097      3.10684348     -0.09096257
+H      7.36883224      1.13614936      0.23021734
+H      7.17020263      1.44389861      1.97812076
+H      5.78574912     -0.79339651      0.58849773
+H      5.07470140      0.05441158      1.99370860 
+
+20
+-1930.431443312554 12.560864 13.71005 -8.1934 -6.2231 -9.653 0.9672 0.0746 3.231 8.83978 -2.98418 7.6617272686 10.4829419084 0.120245328
+C      2.10477058     -0.34878327     -1.34745619
+N      2.31003113      0.09904558      0.02658999
+C      2.88771559     -0.96677378      0.83954285
+C      3.14021823      1.29471244      0.06721907
+C      2.56116064      2.59607698     -0.54776019
+C      3.18693524      3.37714020      0.63908514
+C      3.26701005      2.03916553      1.42246304
+H      1.63958870      0.45332079     -1.93725041
+H      1.42798944     -1.21544435     -1.35582287
+H      3.05260425     -0.64593539     -1.85253715
+H      2.21438244     -1.83615763      0.84076440
+H      3.00521868     -0.62458778      1.87720078
+H      3.88403892     -1.30221526      0.46989264
+H      4.15628729      1.09796430     -0.35234352
+H      1.46292041      2.58296050     -0.48132302
+H      2.86464591      2.86994825     -1.56726281
+H      4.18545130      3.76415229      0.39083583
+H      2.59559546      4.18986278      1.08073970
+H      4.15653662      1.85062939      2.03867730
+H      2.36056912      1.87474844      2.02417542 
+
+20
+-1925.5697748990353 12.373501 13.50006 -7.8962 -5.9613 -9.194 0.9554 0.0497 3.179 8.41825 -2.81782 7.0484305196 12.3145126948 0.366772796
+C      2.84268184     -0.73757943     -1.48373245
+N      2.13733754      0.34271038     -0.80015059
+C      1.23236648      1.03805803     -1.70241445
+C      3.03858435      1.16728002      0.00536483
+C      3.29965155      0.56255999      1.37398067
+C      4.18051544      1.93752681     -0.64750153
+C      2.99028332      2.67355717     -0.06847124
+H      3.48103127     -1.28131462     -0.77429416
+H      3.48690677     -0.38329038     -2.31878879
+H      2.11232664     -1.45037107     -1.89462192
+H      1.73721028      1.58048532     -2.53511177
+H      0.61143999      1.75163524     -1.14565576
+H      0.56045065      0.29693186     -2.15991460
+H      4.00816314      1.17590833      1.94868303
+H      3.72734616     -0.44809166      1.29150075
+H      2.35957145      0.48555262      1.93962053
+H      4.25442485      1.90767544     -1.73632680
+H      5.13964456      1.98781721     -0.12967688
+H      3.11827157      3.21815852      0.86846384
+H      2.31586217      3.15624022     -0.77517272 
+
+20
+-1934.0150685779784 12.51741 13.92244 -8.6053 -6.4724 -10.05 0.9284 0.0243 3.054 9.31533 -2.69121 8.0981951844 10.7778426094 0.200078059
+C      1.51270776      0.62264016      0.78499439
+N      2.95456035      0.71341124      0.99289722
+C      3.64722442      1.36194058     -0.12138007
+C      5.14935902      1.40687118      0.09831131
+C      5.60552984      2.20196193      1.30712267
+C      5.93654096      0.16857828     -0.28818171
+C      6.02248250      1.42154309     -1.13466661
+H      1.05279274      0.06843286      1.61517046
+H      1.21822005      0.13170911     -0.16814237
+H      1.07920059      1.63513966      0.78185438
+H      3.34234999     -0.22648463      1.11139089
+H      3.25749041      2.39364190     -0.20138817
+H      3.43666820      0.87125925     -1.09966050
+H      6.69697195      2.14834683      1.42803785
+H      5.13238124      1.82205322      2.22365408
+H      5.32864074      3.26340483      1.20189890
+H      5.39306613     -0.68265112     -0.70361632
+H      6.80113186     -0.09959803      0.32082190
+H      6.94417022      2.00399288     -1.09316632
+H      5.53787104      1.40831677     -2.11258197 
+
+19
+-1802.750568805184 11.8923 13.03102 -8.3262 -6.1952 -9.692 0.8494 -0.1185 3.153 9.05546 -2.83605 7.8671844692 12.2947245292 0.114492348
+C      2.34953258     -0.39333655     -1.11637795
+N      2.37155558      0.29812488      0.16988486
+C      3.23343755      1.47852587      0.22615745
+C      4.73153326      1.22309643      0.05933011
+C      5.72393593      2.33405503      0.49186494
+C      6.52033105      1.20985877      1.19404638
+N      5.31603632      0.33182673      1.11142449
+H      1.65765099     -1.24566951     -1.05630422
+H      3.32705699     -0.77724769     -1.47633586
+H      1.96048995      0.29072032     -1.88720337
+H      2.65754717     -0.34430520      0.91326749
+H      3.07778293      1.95669516      1.20764776
+H      2.89591062      2.19467526     -0.54473222
+H      4.95735880      0.87688823     -0.96764304
+H      5.26822493      3.03755836      1.20337162
+H      6.23438344      2.89401634     -0.30027098
+H      7.37220006      0.86471108      0.58113684
+H      6.87334465      1.39620868      2.21994301
+H      5.51704720     -0.62037219      0.79729268 
+
+19
+-1804.1468086769407 11.96441 13.226 -8.7289 -6.5559 -10.149 0.9091 -0.0122 2.953 10.13258 -2.61052 8.1274186846 11.9713814398 0.201599146
+C      2.04702078     -0.37376514      1.54175543
+N      3.37568969      0.23141101      1.48851341
+C      3.68145849      0.80413690      0.17672267
+C      5.06212333      1.43950129      0.15632901
+C      5.25481265      2.61785690      1.08661354
+C      6.23579936      0.57954170     -0.17854305
+N      5.65991487      1.49048989     -1.19869913
+H      1.89499044     -0.84464227      2.52300661
+H      1.86057816     -1.13612636      0.75553442
+H      1.28379204      0.41177353      1.42845952
+H      4.07833585     -0.48110724      1.70422646
+H      2.92616273      1.58222552     -0.03654202
+H      3.62212594      0.07019629     -0.65494998
+H      6.29969861      2.96040653      1.08902057
+H      4.97192878      2.34455747      2.11277958
+H      4.61479788      3.46000759      0.77847973
+H      6.09608691     -0.48368808     -0.39430857
+H      7.19903450      0.83415861      0.27152883
+H      6.24882898      2.32792587     -1.26766704 
+
+19
+-1796.7362563321967 12.259643 13.67664 -8.7071 -6.5255 -10.122 0.9602 0.059 3.249 9.42128 -2.89903 8.1636349952 11.7012531416 0.137736938
+C      1.31725243      0.27919484     -0.16588243
+N      2.58092209      0.81409388      0.33479550
+C      3.47956779      1.23596914     -0.73905840
+C      4.77530743      1.76879322     -0.17315479
+C      5.96073779      0.88570095      0.06880862
+N      5.93197826      1.81082246     -1.07018245
+C      6.78778824      2.98786912     -0.94661879
+H      0.71126954     -0.08495967      0.67536072
+H      1.42980367     -0.54747157     -0.89966307
+H      0.75052837      1.08426611     -0.65913095
+H      3.05263280      0.09990033      0.89599808
+H      2.97421538      2.03783204     -1.30647224
+H      3.71372316      0.43140678     -1.46988827
+H      4.66009708      2.60592550      0.52747859
+H      5.91712046     -0.17672198     -0.18824548
+H      6.60890275      1.13709207      0.91559972
+H      6.38260199      3.79654038     -1.57237055
+H      7.79524407      2.74192789     -1.31324142
+H      6.87602669      3.36158850      0.09419762 
+
+19
+-1800.964633006609 11.955645 13.15783 -8.6162 -6.4236 -10.044 0.9263 -0.0044 3.179 9.53635 -2.87392 8.1853821396 10.8119387594 0.129137514
+C      1.12069980      2.32662446      0.17748983
+N      2.50478430      2.26667635     -0.28785185
+C      3.27703029      1.21843443      0.38121617
+C      4.72768395      1.21140355     -0.08172280
+C      5.62553949      2.32154615      0.53762897
+N      6.11167031      1.33807947      1.54243670
+C      5.63151182      0.21445254      0.69194767
+H      0.60811134      3.17558058     -0.29608517
+H      1.01362767      2.42321970      1.27912538
+H      0.59325674      1.40888812     -0.12665305
+H      2.95305154      3.16927831     -0.10948095
+H      2.81623666      0.24801470      0.12273667
+H      3.24731173      1.29900790      1.49122530
+H      4.76255853      1.14041978     -1.17728440
+H      5.12202969      3.20062817      0.97709566
+H      6.39483803      2.67426720     -0.17328323
+H      7.11936808      1.35454101      1.71138369
+H      6.40351495     -0.23679732      0.04183929
+H      5.12341508     -0.58951512      1.25045612 
+
+19
+-1795.7463774692783 12.051893 12.96963 -8.3479 -6.2688 -9.695 0.8742 -0.0604 3.255 8.95907 -2.96244 7.6599418702 13.192172393 0.082626837
+C      2.16995487     -0.39962407     -1.35307718
+N      2.34190337      0.06538189      0.02066648
+C      2.92273660     -0.98180251      0.85666635
+C      3.15675867      1.26998682      0.06050070
+C      2.56607402      2.56423022     -0.54600712
+N      2.95720518      3.34910319      0.67662927
+C      3.22686321      2.05329757      1.39220596
+H      1.69708059      0.38643681     -1.95868541
+H      1.51151612     -1.28005290     -1.36495125
+H      3.13267729     -0.68052392     -1.83815605
+H      2.26665508     -1.86405414      0.85216780
+H      3.00977671     -0.62848751      1.89390199
+H      3.93315252     -1.29977517      0.51168790
+H      4.18282340      1.08338191     -0.33845048
+H      1.46803605      2.51672320     -0.63097779
+H      2.98972494      2.92299539     -1.49491926
+H      3.84854416      3.81904428      0.49660789
+H      4.16753932      2.01231141      1.95971516
+H      2.38576791      1.80719752      2.06090504 
+
+19
+-1804.599171514805 12.027628 13.48272 -8.9729 -6.8454 -10.185 0.8599 -0.0804 3.089 9.46627 -2.78057 8.1230915732 11.8154566462 0.134023972
+C      3.49476006     -0.66990197     -2.26984661
+N      4.41739776      0.30504336     -1.68748153
+C      3.73925876      1.31564799     -0.87544327
+C      4.69817636      2.14127273     -0.03622847
+N      5.80904166      1.48247128      0.68513842
+C      6.10590136      2.41211892     -0.43527573
+C      6.80640014      3.70044265     -0.08031860
+H      4.05201177     -1.35784754     -2.92024708
+H      2.67264698     -0.21877760     -2.86356711
+H      3.03811516     -1.26658807     -1.46571801
+H      4.92094547      0.77165293     -2.44557473
+H      3.06093390      0.77820322     -0.18922988
+H      3.09618009      1.99871337     -1.47306056
+H      4.19425697      2.91365439      0.55662255
+H      5.86546451      0.52535858      0.31002554
+H      6.44874090      1.94127414     -1.36368135
+H      6.42522298      4.09361183      0.87212585
+H      6.65283696      4.46254947     -0.85950870
+H      7.88940823      3.54012030      0.03075926 
+
+19
+-1807.3217779965817 12.12104 13.29372 -8.4757 -6.3509 -9.842 0.8879 -0.049 3.192 9.4109 -2.84016 7.8518597996 11.5435181524 0.151815282
+C      0.94020695      1.00059798      0.45350379
+N      2.38557911      0.84505701      0.60004729
+C      3.14471230      1.61991232     -0.38605548
+C      4.63135799      1.50614582     -0.12189465
+N      4.98907056      2.09102483      1.15866290
+C      5.35761312      0.28833094     -0.68665272
+C      5.58154810      1.67585497     -1.27025823
+H      0.42318596      0.34364808      1.16655315
+H      0.55957781      0.77598958     -0.56557409
+H      0.65912206      2.03770017      0.69185066
+H      2.63323489     -0.14278628      0.49465739
+H      2.84916296      2.67752986     -0.27978054
+H      2.92851118      1.32048979     -1.43488944
+H      5.96257583      1.88223901      1.39032514
+H      4.40385468      1.65266371      1.87760288
+H      4.80488779     -0.43581557     -1.28999568
+H      6.16163578     -0.14239419     -0.08719420
+H      6.53220093      2.16860030     -1.05837296
+H      5.17483200      1.89207169     -2.25982523 
+
+20
+-1931.934452559774 12.589456 14.32907 -8.6496 -6.4621 -10.077 0.9713 0.0671 3.178 9.35442 -2.85525 8.1790960494 11.3136357098 0.241261488
+C      1.08097028     -0.08742088      0.29303275
+N      2.50129538      0.06713648     -0.01072882
+C      2.95019492      1.45686922      0.08125267
+C      4.42500814      1.59520424     -0.29988371
+C      4.94300124      3.01057461     -0.15740302
+C      6.12829516      3.47718816     -0.96817801
+C      4.74697848      4.01387916     -1.27178660
+H      0.78103445     -1.13335414      0.13824445
+H      0.41089476      0.56164587     -0.31128708
+H      0.90637988      0.15435037      1.35335068
+H      2.67961680     -0.27441314     -0.95920227
+H      2.81182568      1.78293759      1.12785416
+H      2.34013446      2.14904279     -0.54237451
+H      4.56462980      1.26614118     -1.34625687
+H      5.01785803      0.90679937      0.32517617
+H      4.87969156      3.41602061      0.85718515
+H      6.56498070      2.77004736     -1.67572697
+H      6.84857506      4.14596353     -0.49605831
+H      4.52624333      5.04927685     -1.01042886
+H      4.25764190      3.66424077     -2.18304101 
+
+20
+-1926.8630205776617 12.611017 13.8999 -8.2035 -6.2231 -9.671 0.9823 0.0939 3.285 8.86988 -2.9436 7.6830280634 11.3211988558 0.256066716
+C      1.37163188     -0.46550068     -0.01330158
+N      2.81128184     -0.33022783     -0.20132326
+C      3.18796736     -0.69422190     -1.56352380
+C      3.25690539      1.01778186      0.16109456
+C      4.76135737      1.16827009      0.22349634
+C      5.54898749      1.69389418     -0.95704948
+C      5.35517507      2.55715898      0.26602571
+H      1.10820486     -0.24377771      1.03121638
+H      1.06558248     -1.49901108     -0.23137906
+H      0.77988465      0.21253713     -0.67080777
+H      2.86069024     -1.72338342     -1.77001036
+H      4.27803713     -0.65054732     -1.67883352
+H      2.72983937     -0.02640815     -2.33003981
+H      2.83552109      1.23845376      1.15657614
+H      2.84401038      1.78843842     -0.53658609
+H      5.25776314      0.41333943      0.83869947
+H      4.98987345      1.96248035     -1.85538150
+H      6.53945406      1.27796716     -1.14534881
+H      6.20988318      2.73171912      0.91971894
+H      4.66805958      3.40151762      0.18414750 
+
+20
+-1933.6846888432121 12.482915 13.91025 -8.5552 -6.4737 -10.053 0.9431 0.0714 3.156 9.29094 -2.79825 8.0744766626 11.5194648684 0.21736793
+C      1.16519563      0.03065274     -0.08260674
+N      2.55900730      0.18618267      0.32945288
+C      3.00495188      1.58359847      0.44761236
+C      2.37987838      2.25462039      1.67517080
+C      4.51916986      1.60430409      0.52710868
+C      5.34314589      1.51968814     -0.73948025
+C      5.28778330      2.80964047      0.04968678
+H      0.97081883     -1.02736398     -0.30663134
+H      0.88785100      0.63153949     -0.97635187
+H      0.48801718      0.31753510      0.73523323
+H      3.16146951     -0.27123686     -0.35916181
+H      2.70842746      2.17382499     -0.45357814
+H      2.64649484      1.69830569      2.58611520
+H      1.28392886      2.29336363      1.60590634
+H      2.74573429      3.28646632      1.77159330
+H      4.92287271      1.08366814      1.40044253
+H      4.80774777      1.49373334     -1.69106090
+H      6.26743385      0.94163307     -0.72285094
+H      6.17399405      3.11231805      0.60798141
+H      4.71865742      3.63671606     -0.37876152 
+
+19
+-1801.5191779752558 12.104148 13.68059 -8.6533 -6.4525 -10.082 0.9592 0.0289 3.092 9.36398 -2.786 8.188159426 13.0754767698 0.127262084
+C      2.70408445     -0.95811650     -0.58769615
+N      3.46875361      0.23301249     -0.94877894
+C      3.27928889      1.33243391     -0.00160963
+C      4.03925768      2.58303240     -0.44448521
+C      3.87434043      3.73320131      0.51985787
+C      3.95872384      5.15205653      0.08135756
+N      2.64051246      4.54236822      0.37223990
+H      2.82706663     -1.72621120     -1.36407231
+H      1.61716507     -0.77694093     -0.44375489
+H      3.09760450     -1.37235300      0.35393162
+H      3.17411494      0.54877553     -1.87704191
+H      3.66341870      0.99668042      0.97885793
+H      2.20848082      1.59300782      0.14994041
+H      3.67179427      2.90613690     -1.43358231
+H      5.10799767      2.33647577     -0.55718602
+H      4.21371063      3.53113913      1.54313767
+H      4.13008480      5.37588525     -0.97468632
+H      4.37007569      5.88513257      0.77982315
+H      2.31707492      4.85513339      1.29300757 
+
+19
+-1795.936356576451 12.077013 13.19123 -8.3393 -6.3069 -9.771 0.94 0.0305 3.183 8.97452 -2.85927 7.7073293194 11.5910915806 0.105219047
+C      2.48433023     -1.16865256     -0.09618178
+N      3.73337011     -0.42144348     -0.19610270
+C      4.21258485     -0.40452295     -1.57541417
+C      3.57934732      0.92765166      0.35035246
+C      4.90056237      1.64231598      0.54022993
+C      5.42139893      2.64707023     -0.42864728
+N      4.79315795      3.08805044      0.83486413
+H      2.16266400     -1.21946778      0.95407118
+H      2.63897503     -2.19596548     -0.45698904
+H      1.65725421     -0.71744531     -0.69037834
+H      4.34981492     -1.43678840     -1.92815343
+H      5.18187139      0.10721554     -1.63360776
+H      3.50674202      0.10703176     -2.26974786
+H      3.09575641      0.83502692      1.33682144
+H      2.91237651      1.56729551     -0.27363223
+H      5.64872752      1.06289830      1.09229292
+H      4.83900467      2.87809721     -1.32490057
+H      6.50458122      2.73944004     -0.54402628
+H      5.51926034      3.35707239      1.50528939 
+
+19
+-1802.7156968486458 11.966604 13.24623 -8.6674 -6.5405 -10.151 0.9271 0.0329 3.082 9.40256 -2.73691 8.106018701 11.7003480438 0.162121471
+C      1.49734620     -0.11402376      0.45619072
+N      2.89272916      0.21171189      0.74954233
+C      3.19516458      1.65066138      0.71591855
+C      2.54355272      2.38730288      1.88888378
+C      4.70233041      1.81683244      0.75829942
+C      5.52474462      1.82187188     -0.48411869
+N      5.23056792      3.08805476      0.22707028
+H      1.39781388     -1.20231318      0.34274701
+H      1.10394101      0.36948992     -0.46386896
+H      0.85081405      0.18506622      1.29380702
+H      3.48865370     -0.24856977      0.05666518
+H      2.84135272      2.12652489     -0.22744056
+H      2.85508203      1.93634132      2.84336241
+H      1.44683533      2.35302689      1.83478829
+H      2.84657123      3.44324467      1.87357804
+H      5.17393140      1.40040904      1.65610675
+H      5.03225893      1.73086327     -1.45640964
+H      6.53600509      1.41022027     -0.43770581
+H      6.05095501      3.37430499      0.76983388 
+
+22
+-2071.1231056250376 12.902103 13.98827 -7.9584 -6.022 -9.418 0.9013 -0.0103 2.992 8.58828 -2.63689 7.2268091778 12.0256253148 0.164364653
+C      0.99109812     -0.06596169     -0.04928491
+N      2.44651808      0.05992303     -0.08634310
+C      2.97406287     -0.77582109     -1.16262893
+C      2.95541091      1.46912346     -0.07662933
+C      2.52647327      2.28633609     -1.31635963
+C      2.44181919      2.16848086      1.19650771
+C      4.49359671      1.43737189      0.00307420
+H      0.57081837      0.46179502      0.81529906
+H      0.73639999     -1.13027155      0.06335289
+H      0.47792643      0.29967628     -0.96610723
+H      2.61833196     -1.80547308     -1.00917765
+H      4.07017713     -0.80411614     -1.13987434
+H      2.65230647     -0.46565561     -2.18154596
+H      2.89821726      1.83477403     -2.24785102
+H      2.93235826      3.30716726     -1.26004844
+H      1.43218102      2.37030266     -1.38794988
+H      2.66080830      1.55512449      2.08267557
+H      1.36105204      2.36176481      1.16318319
+H      2.94104375      3.14068395      1.31321414
+H      4.81986845      0.77933283      0.82170129
+H      4.87549589      2.44953042      0.19695007
+H      4.95555554      1.09020210     -0.93107770 
+
+20
+-1932.1170052778798 13.146016 13.99932 -8.3099 -6.326 -9.159 1.0124 -0.0339 1.468 8.53236 -0.8293 6.4182344788 6.4182344788 0.408622262
+C      2.17558630     -1.35964798     -0.04004382
+N      3.60158106     -1.07915979     -0.16147835
+C      4.12541571     -1.59937524     -1.42151153
+C      3.86746354      0.35882524     -0.02296801
+C      5.33822815      0.68000959      0.13502152
+C      6.04642535     -0.00102205      1.27362701
+C      5.94867757      1.54895927     -0.68482412
+H      1.80652458     -1.00680631      0.93396050
+H      2.00712805     -2.44475969     -0.09808158
+H      1.56693268     -0.87562350     -0.83821296
+H      3.97342797     -2.68742258     -1.46133412
+H      5.20231850     -1.39535808     -1.49337244
+H      3.63121483     -1.14552264     -2.31097368
+H      3.33762133      0.69595147      0.88628910
+H      3.44886032      0.93950990     -0.87750535
+H      5.58508818      0.27332416      2.23697619
+H      7.11016421      0.26724702      1.30739053
+H      5.94971438     -1.09377388      1.18925346
+H      5.41241592      2.02734908     -1.50724056
+H      6.99993138      1.81399600     -0.55315179 
+
+20
+-1928.1283338636808 13.377209 14.49364 -8.3149 -6.3059 -9.484 1.0587 0.0079 1.377 8.96726 -0.81234 6.6732488836 6.6732488836 0.46725065
+C      1.16316063     -0.27532541     -0.02407605
+N      2.61747245     -0.22116170      0.09259601
+C      3.22296397     -1.33825789     -0.62613191
+C      3.12144276      1.07675353     -0.36411801
+C      4.59097448      1.33154443      0.00878448
+C      5.04493513      2.70310067     -0.39829259
+C      5.52377303      3.63533781      0.43354069
+H      0.71211980      0.54025786      0.55918190
+H      0.79568658     -1.22971746      0.38029155
+H      0.80615980     -0.18815155     -1.07589419
+H      2.81591130     -2.28355729     -0.23996271
+H      4.30963128     -1.35705452     -0.47024052
+H      3.02836582     -1.30104527     -1.72312948
+H      2.50567470      1.85566788      0.11311776
+H      2.99148498      1.19798134     -1.46693426
+H      5.23196109      0.58536961     -0.49202436
+H      4.71578390      1.19171158      1.09389744
+H      4.96440976      2.93958264     -1.46657436
+H      5.62211138      3.44533740      1.50576977
+H      5.83846715      4.61541633      0.07172885 
+
+18
+-1772.5127589864476 12.817088 14.12142 -8.471 -6.4648 -9.759 0.9188 -0.0229 2.355 9.41199 -1.95419 4.368770696 10.615743313 0.848931113
+C      0.88904643     -0.36991319      0.23563910
+N      2.24567134     -0.13002914     -0.25035989
+C      2.65731378     -1.20208750     -1.15312333
+C      2.38209206      1.17302076     -0.90167049
+C      2.32029965      2.34402569      0.10045821
+C      2.58596816      3.62732132     -0.53529239
+C      2.81642638      4.68357895     -1.08791262
+H      0.60385969      0.38307450      0.98233524
+H      0.84619616     -1.35276697      0.72550458
+H      0.13094095     -0.35575824     -0.58021587
+H      2.60479005     -2.16615709     -0.62714630
+H      3.69734927     -1.04200667     -1.47085321
+H      2.02196944     -1.27313767     -2.06460077
+H      1.61492270      1.32819730     -1.69409270
+H      3.36380578      1.20090355     -1.39744571
+H      3.05676818      2.15983555      0.89977187
+H      1.33142486      2.38511464      0.58476222
+H      3.01442511      5.62022420     -1.56754794 
+
+18
+-1789.0398266888258 13.086394 13.76698 -8.7459 -6.7044 -9.206 1.1933 -0.4561 0.93 8.76347 -0.57328 6.1899638542 6.1899638542 0.4550918
+C      1.12786249     -0.47273218      0.45207853
+N      2.55729186     -0.16300385      0.50808244
+C      2.85124507      1.27439556      0.35551609
+C      2.41912343      2.01859032      1.59981638
+C      1.58719729      3.06480964      1.61093306
+C      4.33843940      1.44394259      0.15661350
+C      4.89781587      2.02280007     -0.91090057
+H      0.99287677     -1.56165862      0.50360801
+H      0.62017349     -0.09809724     -0.46191020
+H      0.61873224     -0.02890002      1.31940534
+H      3.04321611     -0.66311242     -0.24023049
+H      2.32402162      1.72275811     -0.51725824
+H      2.84637050      1.63955110      2.53509093
+H      1.14468216      3.44994886      0.68847553
+H      1.32511220      3.57565799      2.53859211
+H      4.96594972      1.04506344      0.96127128
+H      4.28973992      2.42534181     -1.72513750
+H      5.98033988      2.12302483     -1.00280620 
+
+16
+-1630.6315557339433 12.589325 13.50418 -8.8909 -6.8476 -9.373 1.3589 -0.2892 1.102 8.95528 -0.55528 4.3646543608 10.670731104 0.334432336
+C      1.04385375     -0.13015897     -0.10746783
+N      2.45430780      0.01113178      0.25222922
+C      2.95508795      1.38928719      0.06639394
+C      2.49927113      2.26593649      1.21879677
+C      1.73242350      3.34960455      1.07378333
+C      4.41789172      1.37838848     -0.01583593
+C      5.62935520      1.36748754     -0.08640522
+H      0.75281081     -1.18391974     -0.00414918
+H      0.80503846      0.20246110     -1.13974064
+H      0.42530194      0.45780962      0.58576167
+H      3.02705012     -0.61721362     -0.31476636
+H      2.57059124      1.84240267     -0.87711784
+H      2.83630290      1.93409472      2.20497678
+H      1.39209911      3.67921188      0.08862161
+H      1.42439756      3.94837545      1.93193022
+H      6.69849681      1.36020085     -0.14780054 
+
+20
+-1934.2767739731669 12.879622 13.6757 -8.46 -6.4968 -9.38 0.9347 0.0083 1.35 8.87581 -0.7488 6.551234261 6.551234261 0.388155143
+C      3.36448418     -0.57957736     -1.06815884
+N      2.78044836      0.23347423      0.00222914
+C      3.05197483      1.69980897     -0.05421735
+C      2.42762479      2.27825820     -1.32933500
+C      2.36095103      2.31209668      1.17546685
+C      4.54599808      1.95773593      0.04832346
+C      5.36551359      2.44335409     -0.89249984
+H      3.23081982     -1.63879184     -0.80879397
+H      4.44136623     -0.39839058     -1.25383329
+H      2.82300853     -0.40873794     -2.00974065
+H      3.12180316     -0.11219503      0.90356637
+H      2.89311878      1.87839932     -2.24043835
+H      2.53563140      3.37138854     -1.34786056
+H      1.35749588      2.02977299     -1.35624003
+H      2.78058972      1.89871522      2.10635495
+H      1.28598554      2.08388630      1.15306107
+H      2.49983097      3.40184524      1.19987577
+H      4.98027643      1.65181318      1.00990212
+H      5.00212107      2.77060396     -1.86872285
+H      6.43722760      2.54026989     -0.71061900 
+
+18
+-1775.9080695451523 12.444098 13.59528 -8.6365 -6.6133 -9.575 0.8717 -0.0454 2.383 9.21143 -1.92056 4.3574135784 10.9040479588 0.566835523
+C      1.07057612     -0.26699230     -0.02243395
+N      2.50776982     -0.02126790      0.09562303
+C      2.94790510      1.39840096      0.01205623
+C      2.45911768      2.14145954     -1.25889724
+C      2.47542059      2.15233749      1.27472991
+C      4.42017560      1.37668004     -0.00484184
+C      5.63335984      1.37708806     -0.04373192
+H      0.90752900     -1.35281125      0.01850491
+H      0.59316382      0.11160186     -0.94814476
+H      0.53916352      0.16789244      0.83626107
+H      3.00543229     -0.54709358     -0.62623031
+H      2.78842612      1.61532665     -2.16593386
+H      2.86546546      3.16164584     -1.28861819
+H      1.36237288      2.21085903     -1.26803496
+H      2.81158944      1.62191272      2.17436370
+H      1.37908785      2.22695771      1.29171331
+H      2.88541108      3.17039934      1.28443835
+H      6.70393380      1.36933335     -0.06836350 
+
+20
+-1937.8068045488587 13.368746 14.65621 -8.5816 -6.5112 -9.049 0.9507 0.0501 1.449 8.50702 -0.80514 6.326013692 6.326013692 0.407607234
+C      1.03769936     -0.08972292      0.31806064
+N      2.47530664      0.10764489      0.50238764
+C      2.94132660      1.47608866      0.20129678
+C      2.44915947      2.45960078      1.27406201
+C      4.44552698      1.46712356      0.14348309
+C      5.17386156      1.81609261     -0.92550073
+C      6.67099626      1.82592791     -0.98664901
+H      0.81069670     -1.16212621      0.39342965
+H      0.65138312      0.27969981     -0.65654421
+H      0.47441638      0.41673589      1.11525304
+H      2.97687062     -0.53058818     -0.11955667
+H      2.55606500      1.82348376     -0.78526898
+H      2.81657220      2.15416310      2.26506371
+H      1.35153342      2.50041083      1.31161706
+H      2.81620217      3.47194042      1.05684284
+H      4.94914740      1.14428297      1.06377434
+H      4.64692377      2.13038111     -1.83564377
+H      7.11620006      1.48721808     -0.04082539
+H      7.05324965      2.83676553     -1.20268861
+H      7.04106266      1.17427742     -1.79446343 
+
+22
+-2078.2307775618674 12.985218 14.30541 -8.5242 -6.4331 -10.014 0.8821 -0.0212 3.031 9.26738 -2.70248 8.0362641774 10.4482754228 0.14274334
+C      1.67081861     -0.50298043      0.40521150
+N      3.01049070     -0.07343672      0.80465444
+C      3.37088754      1.27683899      0.34536698
+C      2.51354468      2.33109028      1.05302359
+C      4.88764099      1.53542452      0.53832955
+C      5.34374366      1.46541485      2.00239412
+C      5.74151631      0.61258221     -0.34381102
+H      1.55653789     -1.57444436      0.62028492
+H      1.44758302     -0.33919382     -0.67188760
+H      0.90519593      0.02831239      0.98911663
+H      3.68384166     -0.73376134      0.41133212
+H      3.17688827      1.37985636     -0.75056734
+H      2.58334736      2.22617285      2.14515739
+H      1.45497552      2.24261402      0.77315030
+H      2.84237181      3.34244432      0.77289186
+H      5.05225585      2.56729026      0.17841339
+H      5.14562837      0.47151063      2.42880504
+H      4.82764657      2.20581564      2.62927037
+H      6.42339698      1.66292850      2.07735717
+H      5.72253593     -0.43207165      0.00738498
+H      6.79521598      0.92787059     -0.32822419
+H      5.40190635      0.62749190     -1.39105418 
+
+20
+-1937.1733022461322 12.893456 13.79382 -8.4969 -6.4724 -9.162 0.8735 -0.036 1.419 8.53579 -0.7707 6.3691980158 6.3691980158 0.378346403
+C      3.15094951     -1.00313771     -0.53613674
+N      2.63724899      0.01664966      0.37779427
+C      3.34508505      1.30764202      0.32003037
+C      2.63337299      2.30103775      1.24593045
+C      4.84471047      1.22196354      0.60645929
+C      5.26945234      0.73055579      1.96634296
+C      5.74299633      1.54628143     -0.33619718
+H      2.57214956     -1.92758666     -0.40207290
+H      4.22723005     -1.24061902     -0.41956420
+H      2.99953291     -0.66521628     -1.57352377
+H      2.65117988     -0.33637723      1.33857185
+H      3.23662611      1.66940885     -0.71856873
+H      2.65098534      1.95777193      2.29207211
+H      1.58242758      2.40158530      0.94380376
+H      3.11528365      3.28758713      1.20631922
+H      4.87210973     -0.27713822      2.17281318
+H      4.89947718      1.38760546      2.76929532
+H      6.36312793      0.68074848      2.04575383
+H      5.42913084      1.89205926     -1.32419119
+H      6.81809354      1.48348852     -0.15146190 
+
+18
+-1783.4995762287879 13.021028 14.85251 -8.6496 -6.567 -9.129 0.8389 -0.0328 2.525 8.82753 -2.01711 4.155018832 10.3803682906 0.359843728
+C      1.06283225     -0.15949705     -0.22338703
+N      2.44333909      0.01236444      0.22613871
+C      2.94688087      1.39307261      0.04966359
+C      2.41493384      2.31278576      1.16306199
+C      4.41106972      1.38498440      0.02300634
+C      5.62686800      1.37680453     -0.00422380
+C      7.08216433      1.37220240     -0.03275413
+H      0.80782166     -1.22748516     -0.19525470
+H      0.86990472      0.21944575     -1.25024693
+H      0.37131157      0.35613083      0.45906042
+H      3.05224120     -0.61225182     -0.30604217
+H      2.60106519      1.81065995     -0.92536194
+H      2.75428984      1.94679388      2.14105130
+H      1.31664934      2.33438205      1.15515895
+H      2.77766242      3.33875717      1.01698968
+H      7.47972653      2.39818193     -0.02787302
+H      7.46370184      0.87081162     -0.93481614
+H      7.49564758      0.84983671      0.84286888 
+
+20
+-1934.2660367107153 13.16102 14.14154 -8.3602 -6.3261 -9.348 1.1063 0.0439 1.324 8.93342 -0.75381 6.5924348088 6.5924348088 0.460521081
+C      2.48472595     -1.13363719      0.40275793
+N      2.28145731      0.09411926      1.16437980
+C      2.91422370      1.29859290      0.61349538
+C      2.41267944      2.51860271      1.38581129
+C      4.46879198      1.24973132      0.58131418
+C      5.09522663      2.36182783     -0.20422020
+C      5.97126524      3.25716982      0.26882080
+H      1.94291230     -1.95512112      0.89249804
+H      3.53967453     -1.45401859      0.27677203
+H      2.05345736     -1.00904756     -0.60303260
+H      2.58491288     -0.03711175      2.13339075
+H      2.56091120      1.37626363     -0.43243430
+H      2.70675847      2.45035179      2.44618960
+H      1.31746740      2.57548815      1.33968108
+H      2.84113258      3.44616701      0.98339213
+H      4.77271610      0.28907699      0.12993809
+H      4.85174847      1.25664658      1.61706014
+H      4.79063320      2.42968995     -1.25655396
+H      6.30623068      3.23130968      1.30924981
+H      6.38579457      4.04108860     -0.36677000 
+
+18
+-1779.11475134206 12.611431 13.88871 -8.8254 -6.7183 -9.823 0.8899 -0.0654 2.344 9.40325 -1.93104 4.3568556414 10.5187366666 0.828949264
+C      1.11050661     -0.31041203      0.51809674
+N      2.54861898     -0.03896614      0.54723491
+C      2.90211604      1.35301918      0.23354674
+C      2.44224206      2.30050725      1.34115847
+C      4.43693333      1.40950190      0.05149627
+C      4.93353825      2.70718173     -0.38236603
+C      5.33875713      3.79062145     -0.75143543
+H      0.94955208     -1.39504788      0.58324016
+H      0.59996791      0.06323365     -0.39511560
+H      0.61771714      0.14460538      1.38905208
+H      3.00354270     -0.64627772     -0.13952614
+H      2.43801675      1.68539181     -0.72285408
+H      2.84786151      1.97355962      2.31078496
+H      1.34710321      2.33118183      1.41732077
+H      2.79206784      3.32085909      1.13462865
+H      4.73806661      0.64904417     -0.69097330
+H      4.91306844      1.12111804      1.00432387
+H      5.70009342      4.74666868     -1.07054305 
+
+14
+-1469.7000867033091 11.979366 13.1834 -9.1227 -7.0501 -9.577 1.0516 -0.1714 1.807 9.26907 -1.53064 4.364865137 10.8299539252 0.864562901
+C      1.06069849     -0.14569953     -0.23243347
+N      2.47459807     -0.02790957      0.12436231
+C      2.96617298      1.36342616      0.02353592
+C      2.41745453      2.19609600      1.10779394
+C      1.93828016      2.90139718      1.96917282
+C      4.43438136      1.38365274      0.02670634
+C      5.64552136      1.38513720     -0.01719480
+H      0.77722206     -1.20591771     -0.21051094
+H      0.80898318      0.26805464     -1.23150637
+H      0.45182608      0.38099187      0.51610231
+H      3.04622390     -0.59640553     -0.50461760
+H      2.63975890      1.84129903     -0.93256931
+H      1.52888634      3.51798748      2.74320297
+H      6.71624260      1.39252004     -0.03819412 
+
+20
+-1938.5381234461472 13.44427 14.63795 -8.5771 -6.4571 -8.745 0.8648 -0.0439 1.496 8.17004 -0.80667 6.0850345024 6.0850345024 0.384320066
+C      0.89955848      0.87032802     -1.24357547
+N      2.35773208      0.87830785     -1.17105830
+C      2.85923103      1.61863887     -0.00488590
+C      4.35884325      1.62705054      0.01537370
+C      5.18378129      2.69214758      0.04334950
+C      4.73607137      4.13054536      0.06788099
+C      6.67914342      2.50392450      0.06721253
+H      0.57817029      0.36998616     -2.16774936
+H      0.43388469      1.87940138     -1.21297968
+H      0.49472906      0.29451750     -0.39636340
+H      2.74151967      1.30945044     -2.01593143
+H      2.48952322      1.08780722      0.89300394
+H      2.44573306      2.64740573      0.05700734
+H      4.81229432      0.62977010     -0.00955237
+H      3.65170620      4.24952649     -0.04191251
+H      5.22861993      4.69974778     -0.73754926
+H      5.03406785      4.61256909      1.01400915
+H      6.95809201      1.44220166      0.04435027
+H      7.11905895      2.95625697      0.97185316
+H      7.15284982      3.00587676     -0.79291289 
+
+18
+-1796.2976918181384 14.454775 14.77021 -8.5469 -6.554 -8.373 0.6743 -0.9084 0.328 7.88489 0.23089 5.0991350262 5.0991350262 0.82965018
+C      0.89526057     -0.08765702      0.06015579
+N      2.35330419     -0.08756228      0.15591674
+C      2.93567611      1.22997111     -0.12031107
+C      4.42879191      1.18994022     -0.02168239
+C      5.27045110      1.57683403     -1.00216561
+C      6.71775946      1.53914489     -0.90151336
+C      7.55843982      1.92020790     -1.88236896
+H      0.51818490     -1.10998758      0.19971277
+H      0.50134915      0.30187823     -0.90286423
+H      0.47617261      0.53482566      0.86612404
+H      2.74021861     -0.75843633     -0.51301607
+H      2.53754889      1.92361626      0.64500600
+H      2.63307801      1.64694754     -1.10710670
+H      4.83509966      0.80193816      0.91939566
+H      4.85210241      1.94969410     -1.94573595
+H      7.13072401      1.16945570      0.04387635
+H      7.18240394      2.29478638     -2.83752385
+H      8.64010464      1.86850305     -1.75868914 
+
+16
+-1637.631920684989 13.656102 14.39569 -8.8497 -6.7531 -8.603 0.613 -1.0023 0.542 8.1919 0.02862 4.0922323216 11.3935322882 0.680892431
+C      0.96169440     -0.12751409      0.20069509
+N      2.41953551     -0.13253935      0.09985710
+C      2.96968120      1.19176968     -0.20043723
+C      4.46467022      1.15148065     -0.25847638
+C      5.18682353      1.59146986     -1.31022343
+C      6.60213323      1.57830467     -1.38150769
+C      7.81530895      1.58724689     -1.48729227
+H      0.60218053     -1.15393101      0.35515997
+H      0.44413861      0.29404091     -0.68687174
+H      0.65824544      0.46660628      1.07664772
+H      2.71078096     -0.78246078     -0.63444053
+H      2.66228014      1.86210446      0.62470687
+H      2.56510442      1.64022228     -1.13519666
+H      4.97546355      0.72848929      0.61138422
+H      4.66285626      1.99956087     -2.18272956
+H      8.88300305      1.58785939     -1.56603550 
+
+18
+-1793.9431574015834 13.473938 13.71504 -8.4756 -6.4438 -8.563 0.6675 -0.9182 0.328 8.01331 0.19514 5.2630569168 5.2630569168 0.738564472
+C      0.95299709      0.08112718      0.14870456
+N      2.40628441     -0.05941307      0.17392971
+C      3.08849977      1.21596715     -0.07334792
+C      4.59113778      1.06322534     -0.19062935
+C      5.20682235      1.34950549     -1.35845271
+C      5.38237837      0.64405187      0.96981767
+C      4.90040088      0.28731107      2.17385294
+H      0.48603829     -0.90883887      0.24253299
+H      0.55887285      0.56931114     -0.76883332
+H      0.62722299      0.68587316      1.00981403
+H      2.69919766     -0.72940475     -0.54145230
+H      2.85818226      1.88508535      0.77613743
+H      2.71296801      1.72688286     -0.98685809
+H      4.64436776      1.68014022     -2.23308453
+H      6.29061814      1.26686788     -1.46248425
+H      6.46648855      0.64034722      0.81102581
+H      3.82835597      0.23351676      2.36650084
+H      5.57652686      0.01161400      2.98394648 
+
+16
+-1635.977291601706 12.926796 13.53879 -8.7162 -6.5973 -8.815 0.5693 -1.0564 0.562 8.3168 -0.01478 4.054652165 6.0766406502 0.454837346
+C      1.46486974     -0.20486292     -0.32194184
+N      2.80373098     -0.17117123      0.26062235
+C      3.50928774      1.07285210     -0.05033068
+C      4.96059154      1.02297465      0.38889368
+C      5.48507323      1.90604458      1.26168044
+C      5.75133844     -0.01274630     -0.19217673
+C      6.36276963     -0.92402830     -0.71979731
+H      1.00738291     -1.18461052     -0.12910851
+H      1.43989309     -0.01469107     -1.41666914
+H      0.83354185      0.55721340      0.16159639
+H      3.35418172     -0.95474215     -0.10208554
+H      3.00767929      1.90297953      0.47270983
+H      3.48615614      1.31245720     -1.13880172
+H      4.86332936      2.68449683      1.70532135
+H      6.53681399      1.86916996      1.54469914
+H      6.92838035     -1.71311575     -1.17150171 
+
+20
+-1938.5742421114423 13.320945 14.5152 -8.5992 -6.4786 -8.734 0.9093 0.0134 1.512 8.16095 -0.8218 6.0847493346 6.0847493346 0.389935136
+C      1.56502953      0.42193178     -1.47823120
+N      3.00906690      0.50514226     -1.27473792
+C      3.36287607      1.23292825     -0.04854716
+C      4.86110610      1.29552785      0.15085964
+C      5.53341638     -0.03259764      0.37556799
+C      5.48661081      2.48832714      0.11827361
+C      6.94671242      2.77344144      0.30185765
+H      1.35542136     -0.05768094     -2.44437866
+H      1.04333355      1.40293572     -1.45504607
+H      1.12062907     -0.20709829     -0.69088775
+H      3.43642736      0.99213868     -2.06733096
+H      2.90220235      0.68275878      0.79411053
+H      2.94063986      2.26157496     -0.02302124
+H      5.22254088     -0.46070805      1.34369310
+H      6.62806156      0.03118193      0.37089149
+H      5.21809277     -0.74703766     -0.39936869
+H      4.85941776      3.37190020     -0.05393265
+H      7.54125893      1.87029292      0.48749269
+H      7.10695310      3.46012240      1.14897686
+H      7.36401323      3.27583827     -0.58601128 
+
+22
+-2079.252702019351 13.091755 14.41153 -8.6001 -6.4689 -10.036 0.8656 -0.0533 2.914 9.30694 -2.56743 8.1026834776 10.479358713 0.14584808
+C      0.93722614      1.74586773      1.05306815
+N      2.39073868      1.84913469      1.16300211
+C      3.07944969      1.24510631      0.02236303
+C      4.61421921      1.43050590      0.04782737
+C      5.20827063      0.79903044      1.32059855
+C      5.19364219      0.71770935     -1.18574812
+C      4.96806639      2.92649592     -0.00516618
+H      0.46857191      2.14846581      1.96214511
+H      0.56350746      0.71066461      0.89734237
+H      0.59085304      2.35366024      0.20245454
+H      2.68725515      1.37472188      2.01900058
+H      2.68550592      1.72786202     -0.89003931
+H      2.85557038      0.15727008     -0.07976163
+H      4.88045141      1.32677116      2.22907180
+H      6.30764908      0.84784847      1.29895949
+H      4.92276046     -0.26135907      1.41125730
+H      4.77817523      1.13514723     -2.11623374
+H      4.96929351     -0.36029356     -1.16851054
+H      6.28732518      0.83395166     -1.22545490
+H      4.61270762      3.37955245     -0.94386293
+H      6.05789072      3.07252647      0.04806056
+H      4.49811000      3.46693021      0.82778642 
+
+20
+-1933.5394695432358 13.232187 14.43315 -8.6848 -6.5413 -9.46 1.0643 -0.0257 1.378 8.89962 -0.79629 6.6506338372 6.6506338372 0.461756723
+C      2.53166281     -0.89370802     -0.20821023
+N      3.80789430     -0.21362311      0.00447878
+C      3.87176288      1.07450401     -0.68405702
+C      5.18181773      1.83549259     -0.39920045
+C      6.41748525      1.06187662     -0.89377662
+C      5.12777035      3.19765526     -1.03849586
+C      5.17281115      4.36264341     -0.38271985
+H      2.55732083     -1.88315829      0.26934070
+H      2.25888953     -1.02886411     -1.27682647
+H      1.72553138     -0.31476112      0.26864169
+H      4.56023320     -0.81529326     -0.33788590
+H      3.02803421      1.68560490     -0.32208653
+H      3.73985690      0.98061605     -1.78808320
+H      5.25878291      1.95993233      0.69445725
+H      6.35779480      0.87452641     -1.97814465
+H      6.52200071      0.09477539     -0.38064721
+H      7.33505423      1.63526312     -0.70228466
+H      5.04879358      3.20590105     -2.13354888
+H      5.25362743      4.39919902      0.70704931
+H      5.13181579      5.31769775     -0.90885019 
+
+18
+-1777.749754800331 12.69552 14.07623 -8.8517 -6.702 -9.768 0.895 -0.0432 2.367 9.32706 -1.92769 4.35004881 10.6075850342 0.667007275
+C      0.98564241     -0.01151070      0.17888163
+N      2.44744495     -0.00424335      0.12564498
+C      2.98588665      1.32098300     -0.17246187
+C      4.52850878      1.34699581     -0.07271394
+C      5.20588726      0.42012843     -1.10153970
+C      5.01181842      2.72006278     -0.20810415
+C      5.40111441      3.86302790     -0.33934635
+H      0.63010575     -1.03896137      0.33761968
+H      0.49359100      0.39111308     -0.73135212
+H      0.64895235      0.59358738      1.03458035
+H      2.75045395     -0.66084060     -0.59727414
+H      2.57889484      2.02371796      0.57185533
+H      2.68529235      1.70707828     -1.17190036
+H      4.78811689      0.98738060      0.93905191
+H      4.91921225      0.70123957     -2.12562517
+H      4.92557748     -0.62779529     -0.92535686
+H      6.29857503      0.49006966     -1.02375188
+H      5.75101524      4.86940685     -0.44571732 
+
+16
+-1638.9506917811 13.861288 15.04627 -8.725 -6.6266 -8.495 0.7446 -0.8776 0.601 8.0666 -0.05393 3.8920073302 11.5928397832 0.623848498
+C      0.95661329     -0.04104099     -0.07423110
+N      2.40892481     -0.01147302      0.07853131
+C      2.93501776      1.35824016      0.02636361
+C      4.39086487      1.39442809      0.02612437
+C      5.60955221      1.44675555     -0.00050805
+C      7.02651268      1.44758343     -0.01673423
+C      7.80162468      2.54806315     -0.07854878
+H      0.61528369     -1.08444725     -0.10146596
+H      0.58108525      0.47546098     -0.98353212
+H      0.48721476      0.43861317      0.79892986
+H      2.84863509     -0.55699633     -0.66640211
+H      2.55847218      1.90058319      0.91335405
+H      2.56590623      1.93052371     -0.85665440
+H      7.50213234      0.46168023      0.02867594
+H      7.36894438      3.54806934     -0.12302574
+H      8.88782578      2.46250659     -0.08329666 
+
+14
+-1483.7787568938927 13.787342 14.75767 -9.0114 -6.8951 -8.705 0.7699 -0.8724 0.994 8.325 -0.58632 3.2297981042 7.7694711026 1.013007088
+C      0.99558273     -0.00566298     -0.04516567
+N      2.44934453     -0.00290493      0.10463785
+C      3.00049943      1.35579578      0.02359738
+C      4.45425115      1.36474642      0.02998929
+C      5.67677853      1.37662412      0.00585753
+C      7.03591362      1.39103595     -0.01551209
+C      8.25648131      1.40671548     -0.03690878
+H      0.63543322     -1.04279053     -0.05446895
+H      0.62935184      0.50207889     -0.96258084
+H      0.53781789      0.49722122      0.82086014
+H      2.87677481     -0.57278797     -0.62915791
+H      2.63250780      1.92573739      0.89666180
+H      2.65031765      1.91601880     -0.87468821
+H      9.32645549      1.42077237     -0.05305153 
+
+20
+-1936.9865376024416 13.469539 15.03674 -8.6701 -6.5037 -9.025 0.9823 0.0876 1.45 8.5081 -0.81916 6.3041177644 6.3041177644 0.414342239
+C      0.86414623      0.70320419      0.07864676
+N      2.31441711      0.53754248      0.13271190
+C      3.03447881      1.77124065     -0.18165439
+C      4.55245271      1.54833447     -0.17146319
+C      5.32674360      2.81535370     -0.38686293
+C      6.16459517      3.04783391     -1.40653718
+C      6.93356318      4.31538106     -1.62386875
+H      0.37533294     -0.26778689      0.23947211
+H      0.48801555      1.13001566     -0.87583354
+H      0.54309230      1.37447395      0.89045524
+H      2.59338343     -0.18546991     -0.53597018
+H      2.76984461      2.51873395      0.58739465
+H      2.73569906      2.21075263     -1.15976850
+H      4.82309540      0.81348517     -0.94936492
+H      4.81788530      1.09814150      0.80096419
+H      5.17497693      3.60712314      0.35899023
+H      6.31409774      2.25465830     -2.15036556
+H      6.71895872      5.05675589     -0.84136953
+H      6.68930536      4.76642320     -2.59929369
+H      8.01959586      4.12855296     -1.63004274 
+
+22
+-2078.4735287518756 13.216105 14.88364 -8.6054 -6.4492 -10.052 0.9253 0.0245 3.051 9.33624 -2.75876 8.1700450714 11.0320387066 0.193112822
+C      1.22653659     -0.41026686     -0.16841699
+N      2.64991193     -0.10803654     -0.04560139
+C      2.92729166      1.32926721     -0.08803669
+C      4.43044897      1.60214381     -0.03895375
+C      4.82285882      3.08597425      0.07415017
+C      6.33115668      3.22111126      0.31821346
+C      4.40311215      3.90642604     -1.15309774
+H      1.08185731     -1.49853203     -0.21693892
+H      0.73699305      0.04727315     -1.05524851
+H      0.69719570     -0.04521353      0.72574240
+H      3.15603840     -0.56258080     -0.81029872
+H      2.44418107      1.78728136      0.79435032
+H      2.47348736      1.81542449     -0.97994081
+H      4.90944670      1.17594683     -0.94145639
+H      4.84395207      1.05074838      0.82167029
+H      4.30019940      3.50122309      0.95653730
+H      6.90277980      2.81855882     -0.53389994
+H      6.64315291      2.67258505      1.21934823
+H      6.62126973      4.27482008      0.44499757
+H      4.87507496      3.50793703     -2.06643308
+H      4.71677397      4.95594532     -1.04854637
+H      3.31507077      3.89950360     -1.30722043 
+
+20
+-1936.6207459281081 13.207227 14.44112 -8.7264 -6.5517 -9.152 0.9188 -0.0049 1.441 8.53217 -0.80766 6.3965741246 6.3965741246 0.422207829
+C      1.43438105     -0.28410025     -0.31823899
+N      2.80604931      0.16175401     -0.08772703
+C      2.95184268      1.61298029     -0.19070333
+C      4.41363512      2.03123317      0.02237130
+C      4.64570502      3.52297708     -0.04976127
+C      3.97999592      4.36519192      1.00791143
+C      5.41946652      4.06726811     -1.00190621
+H      1.39736202     -1.38230608     -0.31247326
+H      0.99085120      0.07539360     -1.27128271
+H      0.79195589      0.07310375      0.50173572
+H      3.42266970     -0.28149400     -0.77378466
+H      2.31368424      2.06270693      0.58878067
+H      2.59366109      2.01717616     -1.16431087
+H      5.04272000      1.53121583     -0.73283752
+H      4.73220400      1.65055771      1.00874389
+H      2.88218226      4.31081920      0.93572855
+H      4.27133683      5.42024452      0.92376788
+H      4.24629294      4.01019433      2.01687635
+H      5.90367134      3.45111694     -1.76244794
+H      5.59686286      5.14381678     -1.04700201 
+
+18
+-1784.5597518886814 13.07805 15.19437 -8.7715 -6.6027 -9.214 0.8877 -0.0124 2.501 8.81015 -2.03741 4.1504561472 10.1507586172 0.795854334
+C      1.34460909     -0.29024241      0.29191426
+N      2.76199769      0.03320081      0.44134226
+C      3.11671601      1.30333374     -0.18795338
+C      4.61292778      1.60257828      0.00558115
+C      5.01871148      2.87781579     -0.57354051
+C      5.33617761      3.94355067     -1.06610802
+C      5.72429984      5.22002116     -1.64936891
+H      1.14662985     -1.28338876      0.71829857
+H      0.98275851     -0.28204335     -0.75821839
+H      0.74323053      0.43949870      0.85591085
+H      3.32056612     -0.71389365      0.01927735
+H      2.52711421      2.10012799      0.29455030
+H      2.87363579      1.34143253     -1.27212950
+H      5.20690172      0.78888983     -0.44897411
+H      4.83750605      1.58226764      1.08488697
+H      4.84260920      5.79564299     -1.96930466
+H      6.36742559      5.07775804     -2.53107492
+H      6.27992292      5.83629998     -0.92644930 
+
+20
+-1933.7670673533298 13.342259 14.86576 -8.7117 -6.5275 -9.509 0.9668 0.0494 1.369 8.97503 -0.80414 6.6777867712 6.6777867712 0.470823015
+C      0.77072091      0.82261960     -0.16160065
+N      2.19075602      0.54286340      0.03588644
+C      3.05034695      1.62984386     -0.43160789
+C      4.52883930      1.27732198     -0.28268636
+C      5.46022398      2.42343027     -0.71045267
+C      6.91361057      2.08476034     -0.55071142
+C      7.81360371      2.05985974     -1.54040341
+H      0.17669887     -0.05342827      0.13347856
+H      0.49989036      1.09379013     -1.20490198
+H      0.47005412      1.66097826      0.48617881
+H      2.43747840     -0.31204918     -0.47030675
+H      2.82167243      2.52296906      0.17772067
+H      2.84168490      1.91499216     -1.48921531
+H      4.75870887      0.38421051     -0.89010686
+H      4.72417144      1.00169010      0.76657268
+H      5.22602077      3.31218248     -0.09570981
+H      5.25945132      2.70236827     -1.75837094
+H      7.23640060      1.82894378      0.46611954
+H      7.53454496      2.30506811     -2.56887171
+H      8.85697152      1.79813540     -1.35823095 
+
+18
+-1777.8039878367854 12.578774 13.96831 -8.7097 -6.5209 -9.776 0.943 0.018 2.349 9.42109 -1.92871 4.357239998 10.5532171732 0.721980854
+C      0.58722845      0.36126146      0.10088613
+N      2.00341812      0.06792629      0.31140775
+C      2.87532350      1.15130738     -0.14515158
+C      4.34495191      0.79940858      0.07267407
+C      5.31288463      1.91476655     -0.37140911
+C      5.30581875      2.17366927     -1.80772154
+C      5.30854798      2.37668164     -3.00511849
+H     -0.01671564     -0.51089077      0.38721144
+H      0.32887394      0.63837787     -0.94343367
+H      0.28826335      1.19960897      0.74942451
+H      2.24601615     -0.78475186     -0.20070328
+H      2.62488549      2.05187807      0.44451944
+H      2.71090761      1.41919873     -1.21176013
+H      4.59098201     -0.12393484     -0.47839281
+H      4.50874858      0.59047846      1.14091299
+H      6.33801942      1.64735617     -0.06684576
+H      5.06953828      2.84915313      0.16382451
+H      5.30692748      2.55846490     -4.06027449 
+
+21
+-1951.0086943153146 12.880947 14.63767 -8.6685 -6.4714 -10.073 0.9197 -0.037 3.152 9.35668 -2.89519 8.1786001054 12.044433991 0.104249567
+C      1.01051921     -0.11629295     -0.03400198
+N      2.46613260     -0.02500191      0.04086658
+C      2.94976273      1.35419695     -0.01917749
+C      4.47596747      1.41681688     -0.00327153
+C      5.01512334      2.84879467     -0.01222030
+C      6.54160742      2.91712612     -0.02445909
+N      7.00016545      4.31485203      0.01585328
+H      0.70681936     -1.17209347     -0.06105016
+H      0.56488048      0.39845792     -0.91260204
+H      0.56976563      0.33237545      0.87001641
+H      2.87530641     -0.55084057     -0.73622570
+H      2.55155184      1.88628248      0.86326004
+H      2.56576810      1.90290710     -0.91059861
+H      4.86858822      0.87003134     -0.88050237
+H      4.84031107      0.87898148      0.88767460
+H      4.64822601      3.40020817      0.86929505
+H      4.62478992      3.38360269     -0.89760676
+H      6.91979786      2.34356468     -0.89716057
+H      6.93227538      2.41256352      0.87515329
+H      6.72636332      4.79048385     -0.84868418
+H      8.02172818      4.34690358      0.04414153 
+
+17
+-1685.1500413459387 12.714666 12.82121 -8.0573 -6.2727 -8.624 1.2693 -0.2996 0.736 7.87242 -0.13686 4.8746087788 5.17889522 0.284529838
+C      0.98916109     -0.02670273      0.06386373
+N      2.44628308      0.04141826      0.04638190
+C      3.13451727     -1.15787538     -0.12509446
+C      2.59202100     -2.35809310     -0.40800105
+C      3.14414303      1.27229408      0.04659643
+C      2.40364387      2.46931113      0.59535208
+N      4.35861064      1.44882375     -0.34636881
+H      0.56546481      0.93753533      0.35183631
+H      0.66133801     -0.78941733      0.78666233
+H      0.59453508     -0.29792649     -0.93030315
+H      4.20834088     -1.07539412      0.05141339
+H      1.53067753     -2.50820880     -0.59911419
+H      3.23756889     -3.23265121     -0.44817613
+H      1.93153779      2.25847486      1.56548414
+H      1.62268235      2.81781994     -0.09671843
+H      3.13361136      3.27593892      0.71265460
+H      4.75256334      0.60166288     -0.77389868 
+
+21
+-1945.2218040821417 12.794039 13.95128 -8.2537 -6.2057 -9.685 0.9136 -0.0263 3.303 8.92411 -3.01587 7.719058395 12.1038480822 0.148250837
+C      0.90239182     -0.35960937      0.42500749
+N      2.30019030     -0.72540091      0.22617302
+C      2.42406863     -1.67176105     -0.87709746
+C      3.12140727      0.47453281      0.02210720
+C      4.63112490      0.22877602      0.06682522
+C      5.12249324     -0.37691222      1.38109243
+N      6.59549227     -0.44133175      1.39452972
+H      0.81255264      0.31123890      1.29171322
+H      0.30704530     -1.26186525      0.62752279
+H      0.45679663      0.15487194     -0.45766169
+H      1.79821829     -2.55288293     -0.67522209
+H      3.46218399     -2.01656219     -0.97705093
+H      2.10718613     -1.23934142     -1.85452298
+H      2.85818169      1.18380886      0.82492590
+H      2.86135877      0.97603413     -0.94077675
+H      5.14164178      1.19263805     -0.08894496
+H      4.94160919     -0.41419640     -0.77549758
+H      4.62178334     -1.35014390      1.54255802
+H      4.81019026      0.27727410      2.21294426
+H      6.91430648     -1.09732065      0.67520312
+H      6.91373710     -0.83236677      2.28460204 
+
+15
+-1554.2449526877567 12.615286 12.77957 -8.1686 -6.3075 -8.536 0.7714 -0.6859 0.093 7.8362 0.4487 4.5782078472 4.5782078472 0.37340226
+C      0.88771471     -0.07189594     -0.09724302
+N      2.31812759     -0.07619807      0.17891598
+C      3.00264490     -1.35679645      0.10789401
+C      3.02923333      1.08103219      0.07662840
+C      4.38867218      1.20037289     -0.02033542
+C      5.00931934      2.46941549     -0.03813212
+N      5.55131335      3.51012768     -0.06429712
+H      0.47858559      0.92541344      0.10471223
+H      0.37818057     -0.79463459      0.55580082
+H      0.66758398     -0.33235378     -1.14808430
+H      2.30907453     -2.15239441      0.40557736
+H      3.85510486     -1.36449487      0.80151940
+H      3.37455168     -1.57432602     -0.90995242
+H      2.42030713      1.98735453      0.10020777
+H      5.04438626      0.33231793     -0.08677155 
+
+17
+-1683.8777906412488 11.625744 12.89729 -8.8771 -6.8447 -10.108 0.7572 -0.2572 1.468 9.29779 -1.09598 5.383906071 12.0866884198 0.295624503
+C      1.19174485     -0.61204711      0.61036270
+N      2.15915061     -0.40350604     -0.46560223
+C      2.71843122     -1.68050906     -0.90392032
+C      1.55602509      0.34742242     -1.56312259
+C      2.62410495      0.93581260     -2.50755383
+C      2.03499483      1.78863932     -3.53307980
+N      1.54857798      2.47103038     -4.34456540
+H      0.82161906      0.35780625      0.97076713
+H      1.68363467     -1.12330946      1.44977624
+H      0.31783127     -1.22564307      0.29833335
+H      3.16477838     -2.19561856     -0.04213141
+H      3.51726737     -1.52638653     -1.64206949
+H      1.95423924     -2.35381294     -1.35281336
+H      0.98388609      1.18115299     -1.13086124
+H      0.83947048     -0.26537586     -2.15482709
+H      3.19095023      0.13919367     -3.01242871
+H      3.34363369      1.52542099     -1.91864395 
+
+17
+-1677.418316781489 12.52023 12.87813 -8.3157 -6.4676 -9.135 1.2107 -0.4325 0.916 8.22097 -0.41047 5.0339803832 5.6736241572 0.279047609
+C      0.80779490      0.95416995     -0.58795070
+N      2.19079569      1.03501415     -0.14865652
+C      2.91002850     -0.20085732      0.15766723
+C      3.13666672     -1.06672948     -1.05279153
+C      2.72188547     -2.33366695     -1.16011978
+C      2.79601195      2.26546199     -0.01527306
+N      2.31970733      3.44201416     -0.23701913
+H      0.67330073      1.40160916     -1.58662453
+H      0.13453018      1.46900024      0.11806485
+H      0.51266633     -0.09926136     -0.64933832
+H      2.37318790     -0.77460220      0.93470838
+H      3.87985555      0.09409117      0.59057297
+H      3.67107305     -0.59089961     -1.88216488
+H      2.18130133     -2.82463693     -0.34613937
+H      2.91667932     -2.92660166     -2.05479274
+H      3.83482591      2.18484979      0.33802974
+H      1.34484915      3.40245488     -0.56533261 
+
+15
+-1519.0313760075546 11.724936 12.3371 -8.6291 -6.7897 -9.356 0.7717 -0.1904 0.931 8.51494 -0.36589 4.3945349868 10.837554267 0.6569317
+C      1.15108303      0.09847303      0.37074428
+N      2.50894068      0.19371054     -0.14170440
+C      3.30082559     -1.03669711     -0.16423894
+C      3.58907550     -1.59125131      1.16297072
+C      3.79579739     -2.03066576      2.27517727
+C      3.17459693      1.40975443     -0.09844186
+N      2.73850597      2.57524222      0.22202174
+H      0.53453435      0.89602817     -0.06689672
+H      1.10573542      0.17298019      1.47166658
+H      0.72117045     -0.86551047      0.06978410
+H      4.24555674     -0.82168436     -0.68832522
+H      2.77143792     -1.79319617     -0.76830123
+H      3.99105551     -2.41535639      3.25562009
+H      4.21809256      1.32271380     -0.43647064
+H      1.76434196      2.54333920      0.55269424 
+
+15
+-1559.3539788565126 12.452856 12.80362 -8.0129 -6.1937 -8.438 0.9754 -0.5494 0.13 7.89323 0.40713 4.5806999658 4.5806999658 0.348736545
+C      0.78546294      0.34547188     -0.15005836
+N      2.20867729      0.18300245      0.10589798
+C      3.06564438      1.24767781      0.08467414
+C      4.43117635      1.20613591      0.01852766
+C      5.25809779     -0.05338015     -0.09693234
+C      5.13260855      2.43953619      0.06129595
+N      5.75336431      3.43539300      0.08769199
+H      0.23996616     -0.51880125      0.24934179
+H      0.54797111      0.44815719     -1.22317908
+H      0.42196445      1.24035107      0.37216855
+H      2.59941076     -0.72874825     -0.11473949
+H      2.57400204      2.21941614      0.16954952
+H      4.64965624     -0.96171323      0.00783284
+H      6.02798741     -0.08884362      0.68734394
+H      5.77648021     -0.10588514     -1.06656511 
+
+15
+-1541.310735376226 11.372902 12.31068 -9.4547 -7.4113 -10.052 1.0669 -0.7106 0.632 9.52952 -0.17408 5.3194581482 6.627299672 0.402235916
+C      2.67270931     -0.74879908     -1.17455013
+N      2.32393458      0.03583739      0.01425320
+C      2.89268385      1.38846497      0.02385392
+C      2.43005763      2.16001534      1.24028101
+C      1.72175846      3.28889771      1.17908984
+C      4.37949971      1.38170365     -0.02937821
+N      5.54332996      1.28795392     -0.05862005
+H      2.22692852     -1.74709315     -1.07819589
+H      3.76026899     -0.86141932     -1.34337884
+H      2.23260975     -0.27168918     -2.06302990
+H      2.63307868     -0.45780069      0.85618784
+H      2.53948104      1.90731334     -0.88422667
+H      2.71697460      1.73470150      2.20711796
+H      1.43481392      3.73458500      0.22393219
+H      1.40365100      3.80680861      2.08425370 
+
+21
+-1951.2004400106798 12.718537 14.09706 -8.5967 -6.4805 -10.046 0.9263 -0.0157 3.139 9.29815 -2.84191 8.0787541796 11.9363677934 0.115735445
+C      1.09878340     -0.19726242     -0.11246683
+N      2.47570383      0.04665364      0.31400607
+C      2.90089884      1.45326009      0.22003048
+C      2.22762108      2.28004691      1.32057384
+C      4.43279624      1.49780595      0.30560899
+C      5.05655375      2.87649246      0.08978361
+N      6.52209310      2.75756690     -0.00858995
+H      0.92844979     -1.28064718     -0.17758419
+H      0.84397489      0.25470746     -1.09556678
+H      0.38915051      0.19646217      0.62983986
+H      3.10133262     -0.51209687     -0.27101302
+H      2.60185846      1.88780158     -0.76426570
+H      2.53250959      1.90984707      2.31131584
+H      1.13263818      2.21785292      1.25593555
+H      2.49675655      3.34208769      1.24039485
+H      4.85605280      0.82295698     -0.45875475
+H      4.74014745      1.09564609      1.28778772
+H      4.72244432      3.56867003      0.88758558
+H      4.69350014      3.29307004     -0.86520030
+H      6.89746586      2.42316048      0.88387293
+H      6.93433861      3.68204800     -0.15581379 
+
+15
+-1561.9508035623103 12.330266 12.48135 -8.0894 -6.256 -8.545 0.8667 -0.6227 0.125 7.91004 0.46032 4.5765588334 4.5765588334 0.348895776
+C      1.10537725     -0.42483602     -0.25567007
+N      2.50252102     -0.16835264      0.05953975
+C      3.09086397      1.07315616      0.01502789
+C      2.18154313      2.26504147      0.08007416
+C      4.45675572      1.19860474     -0.04043596
+C      5.11883993      2.44211222     -0.00351201
+N      5.69285041      3.46668881      0.02104650
+H      0.88014297     -1.46967802     -0.01010348
+H      0.86248473     -0.25846493     -1.32038223
+H      0.44659043      0.20627871      0.35462350
+H      3.13330993     -0.95207185     -0.08744079
+H      1.56853547      2.24109156      0.99348131
+H      1.49536921      2.28957762     -0.77947502
+H      2.76814437      3.18950252      0.07974313
+H      5.08908147      0.30960964     -0.10032666 
+
+21
+-1952.4182910918119 12.46835 13.52467 -8.3182 -6.2546 -9.771 0.898 -0.0407 3.022 9.07153 -2.67627 7.7496705384 10.8658354736 0.116568649
+C      1.32781778     -0.22811187     -0.06880352
+N      2.74088045      0.14745040     -0.10626601
+C      3.04748606      1.59888819     -0.06192584
+C      2.57747719      2.34611690     -1.32672340
+C      2.43070896      2.22774433      1.19288431
+C      4.58924867      1.69793516      0.05559358
+N      5.27034778      0.90645153     -0.98409199
+H      1.25143483     -1.31227477     -0.23326826
+H      0.68277936      0.27122974     -0.82078079
+H      0.90453541     -0.02277780      0.92526905
+H      3.15102236     -0.20365342     -0.97678722
+H      3.13415804      1.98325099     -2.20286791
+H      2.74915804      3.42976416     -1.23481634
+H      1.50267320      2.19744293     -1.50435806
+H      2.68828470      1.64029066      2.08663585
+H      1.33564270      2.29069541      1.12177708
+H      2.80929664      3.25171282      1.32835687
+H      4.87275980      1.39161451      1.07961388
+H      4.87678778      2.75421155     -0.06620107
+H      5.43884717     -0.04010318     -0.63730016
+H      6.18687307      1.30322177     -1.19118007 
+
+17
+-1687.0343466255517 11.244122 12.4154 -9.2098 -7.1305 -10.406 0.707 -0.2674 1.52 9.64667 -1.09548 5.3878240286 11.162149615 0.151366788
+C      1.01260981     -0.20831941      0.01216537
+N      2.46157208     -0.00295091      0.05029133
+C      2.92286041      1.40486220     -0.00966132
+C      2.48628898      2.17856575     -1.27998919
+C      2.47568880      2.16017515      1.25980130
+C      4.40134927      1.34360116     -0.00796960
+N      5.56685608      1.31555932     -0.03717861
+H      0.82690859     -1.29052328      0.00035763
+H      0.49098840      0.23427973     -0.85891282
+H      0.54880173      0.18600235      0.92704017
+H      2.89917484     -0.51799482     -0.71707512
+H      2.81978744      1.65732320     -2.18764578
+H      2.91381131      3.19024346     -1.28758112
+H      1.39223270      2.26986319     -1.30483336
+H      2.76826159      1.59905180      2.15583004
+H      1.38547642      2.29031712      1.25676437
+H      2.93642155      3.15524398      1.29285673 
+
+21
+-1952.528209304938 12.565301 13.6444 -8.4488 -6.3445 -9.968 0.8901 -0.0566 3.116 9.29859 -2.79094 8.085623004 10.784860217 0.136802869
+C      1.24742567     -0.15580480      0.27383889
+N      2.69511745      0.05335001      0.23155602
+C      3.09523303      1.46868208      0.25199436
+C      2.63837584      2.16598228      1.53442290
+C      4.62989433      1.56116288      0.04277300
+C      5.44995605      1.10037448      1.25479728
+N      4.98345895      0.83268974     -1.20007231
+H      1.03073936     -1.20991564      0.05130481
+H      0.68101598      0.47301383     -0.44702990
+H      0.85550761      0.05133863      1.28007081
+H      3.03319820     -0.31263474     -0.66378847
+H      2.64046714      2.01068938     -0.60929268
+H      2.94146637      1.59701439      2.42549778
+H      1.54607828      2.28012652      1.56021019
+H      3.07267543      3.17481277      1.59849422
+H      4.84345008      2.62737804     -0.14492057
+H      5.20365131      0.05823345      1.50748353
+H      5.25881730      1.71624946      2.14540297
+H      6.52489451      1.16345928      1.03050072
+H      5.26521954     -0.12224482     -0.95836905
+H      5.80974755      1.25820278     -1.62458447 
+
+17
+-1690.5477830273635 11.442732 12.6978 -9.2281 -7.1076 -10.498 0.7238 -0.3184 1.456 9.73315 -1.06904 5.3728837156 11.6982154846 0.29518557
+C      1.41511261     -0.01470367      1.08854312
+N      2.83577226      0.30989023      1.23668469
+C      3.18348770      1.67965259      0.83786790
+C      2.55487156      2.70963675      1.77605334
+C      4.72697800      1.77411425      0.86623770
+C      5.23216280      3.05967818      0.40136891
+N      5.62448057      4.09116541      0.02304850
+H      1.28057801     -1.09392429      1.24022372
+H      0.99248300      0.25323712      0.09781316
+H      0.82369813      0.49811374      1.85961542
+H      3.37334456     -0.34069070      0.65777801
+H      2.84997703      1.90482047     -0.19994103
+H      2.83556413      2.49610655      2.81839111
+H      1.45971741      2.70057365      1.70380809
+H      2.89384552      3.72144987      1.51578599
+H      5.16530306      0.98775788      0.22965363
+H      5.08114365      1.59403195      1.89383771 
+
+13
+-1378.7153382494118 10.810678 11.96017 -9.7213 -7.5874 -10.274 0.9815 -0.5801 1.071 9.88476 -0.75818 4.4032512026 11.0637915212 0.628413867
+C      1.00763328     -0.08404289     -0.27995658
+N      2.42952029     -0.00185367      0.06178651
+C      2.93825241      1.37998510     -0.00314707
+C      2.39904899      2.21149774      1.08282045
+C      1.94195014      2.92254771      1.94998540
+C      4.41353601      1.36167086      0.04160752
+N      5.57815237      1.33405047      0.02393434
+H      0.70928236     -1.13983764     -0.28017802
+H      0.75353729      0.35753428     -1.26503054
+H      0.41853739      0.43276842      0.49015967
+H      2.98054918     -0.56903035     -0.58668812
+H      2.67146531      1.88724161     -0.96166018
+H      1.54334498      3.54111837      2.72844662 
+
+19
+-1809.0480848687641 13.081812 14.28007 -8.7173 -6.5649 -9.16 1.0922 -0.0986 1.414 8.62749 -0.77359 6.376537987 6.376537987 0.381340629
+C      0.87697742      1.08185948     -1.19530456
+N      2.33453096      0.98782476     -1.16957657
+C      2.91794035      1.60238964      0.02781147
+C      4.41327370      1.48480536      0.02084858
+C      5.25669822      2.52327516      0.09811272
+C      6.75310746      2.41123058      0.11056713
+N      7.33697950      3.25117122     -0.95101158
+H      0.49811424      0.67430294     -2.14285962
+H      0.48334124      2.11419382     -1.07706959
+H      0.45731429      0.47193506     -0.38002129
+H      2.72121263      1.45603684     -1.99310307
+H      2.51225483      1.05539805      0.89951338
+H      2.62551585      2.66755427      0.16149548
+H      4.81161044      0.46632620     -0.06105369
+H      4.85980408      3.54436006      0.14976471
+H      7.03938739      1.34113850      0.06463046
+H      7.13162969      2.80072086      1.07221494
+H      7.09746882      2.85868313     -1.86531829
+H      8.35721889      3.23742406     -0.88567063 
+
+15
+-1547.1869748183055 12.18352 13.06828 -9.2955 -7.1607 -9.755 0.0904 -1.6211 -0.162 9.27609 0.6756 5.0278430762 10.7965892926 0.388893
+C      0.88881204     -0.10779771     -0.03453223
+N      2.34644321     -0.06491730     -0.14277018
+C      2.87942381      1.29403777     -0.06624911
+C      4.37524383      1.28072237     -0.07554126
+C      5.12662758      2.03411765     -0.90152459
+C      6.54966443      2.03109334     -0.88391202
+N      7.71966482      2.05361418     -0.89489209
+H      0.54494179     -1.14252748     -0.16437662
+H      0.35826717      0.53192406     -0.76999734
+H      0.58836754      0.21886190      0.97272151
+H      2.63774378     -0.48766982     -1.02731578
+H      2.54696761      1.71877323      0.90005426
+H      2.49601200      1.97717257     -0.85586445
+H      4.85820822      0.60679526      0.63759936
+H      4.65911218      2.70072999     -1.63231947 
+
+19
+-1808.1966448727455 12.765006 13.50518 -8.2702 -6.1641 -9.316 0.9012 -0.3113 1.42 8.68656 -0.77395 6.5130589716 6.5130589716 0.414177049
+C      2.25675384      0.30935717     -0.63742379
+N      3.43886968      1.07438172     -1.01598088
+C      4.57289875      0.80708835     -0.12398784
+C      5.75455824      1.71404665     -0.38924789
+C      6.89550936      1.24815736     -0.91739389
+C      5.62607399      3.16840227      0.01024414
+N      4.53931919      3.84401040     -0.73335014
+H      1.41511236      0.58875154     -1.28683920
+H      1.94115471      0.44844458      0.42078716
+H      2.44610217     -0.76676244     -0.78394537
+H      3.24556552      2.08111354     -0.96920846
+H      4.88253930     -0.24282396     -0.26199500
+H      4.29004918      0.91287368      0.95229262
+H      7.00846603      0.19704531     -1.19000994
+H      7.75431195      1.90193740     -1.08772516
+H      6.61213336      3.65898892     -0.09879508
+H      5.35812465      3.21575474      1.08045876
+H      4.80615813      3.92736974     -1.71849652
+H      4.41852959      4.79626304     -0.38101351 
+
+15
+-1546.2218662295973 11.597278 12.4877 -9.3339 -7.185 -9.788 0.2809 -1.4719 -0.119 9.29375 0.58416 5.0521939266 11.1362117438 0.267487687
+C      1.18705960      0.00436082     -0.37434185
+N      2.64577651     -0.07934447     -0.45813347
+C      3.29842138      1.15010549     -0.03984443
+C      4.80832158      1.01309261      0.03684212
+C      5.47450085     -0.15005262     -0.08295670
+C      5.52040785      2.23688268      0.25508556
+N      6.05880523      3.25914882      0.43795600
+H      0.74813907     -0.92220928     -0.76748222
+H      0.74803624      0.86092629     -0.92572670
+H      0.88733480      0.09366072      0.68074009
+H      2.91782995     -0.28851688     -1.42259044
+H      2.92760873      1.41353688      0.96689555
+H      3.06040244      2.02697284     -0.68132664
+H      4.92063123     -1.07715149     -0.22739409
+H      6.56092453     -0.18611239     -0.01998279 
+
+21
+-1951.0216016834815 12.686742 14.04795 -8.5662 -6.3847 -10.002 0.9251 0.0067 3.117 9.34341 -2.80289 8.13844104 11.081620708 0.196841944
+C      0.97139216      1.76146039      1.10310771
+N      2.42936966      1.84929055      1.11707968
+C      3.03279172      1.33794671     -0.11496060
+C      4.56504573      1.42734447     -0.10773165
+C      5.16169727      0.65232612     -1.28647455
+C      5.04026418      2.88980892     -0.09456872
+N      6.49115925      2.97394770      0.16106597
+H      0.56902898      2.09573690      2.06988081
+H      0.57819878      0.74301333      0.89353069
+H      0.57371408      2.43432730      0.32702582
+H      2.78793748      1.30377913      1.90591861
+H      2.64012767      1.94213633     -0.95408113
+H      2.73341211      0.28685898     -0.32786011
+H      4.92147024      0.95497641      0.83037188
+H      4.74501266      1.01745435     -2.23963688
+H      4.94368258     -0.42344270     -1.21558747
+H      6.25005851      0.79091087     -1.31855602
+H      4.42152269      3.45305852      0.62745495
+H      4.85250494      3.32424244     -1.09232007
+H      6.67372364      2.76356257      1.14659510
+H      6.80984564      3.93499071      0.01996598 
+
+21
+-1954.6677176898336 12.659537 13.7938 -8.5565 -6.4221 -9.974 0.886 -0.0645 3.005 9.31054 -2.67172 8.1173138256 10.8187951852 0.10641772
+C      2.26118593     -0.03472219     -1.79045267
+N      3.36227314      0.87737220     -1.48525383
+C      3.92697560      0.65093949     -0.15424585
+C      5.20503307      1.48872150      0.08116886
+C      5.56426755      1.43550479      1.56958674
+C      6.36416067      0.93663752     -0.76899611
+N      4.87789865      2.89694751     -0.26134499
+H      1.81845986      0.23466969     -2.75972460
+H      1.45195203     -0.04144320     -1.02903151
+H      2.64685929     -1.06289487     -1.87470963
+H      3.00339894      1.83631518     -1.50034747
+H      4.18208195     -0.41927153     -0.06970097
+H      3.19978676      0.87894690      0.65535037
+H      4.76995985      1.89484669      2.17535081
+H      6.50470827      1.97498034      1.76334730
+H      5.70201733      0.39692435      1.90370248
+H      6.07640953      0.91601109     -1.83022737
+H      6.62982746     -0.09021473     -0.47107323
+H      7.26057940      1.56537272     -0.65565563
+H      4.93660396      3.00736387     -1.27842178
+H      5.60172073      3.51158267      0.12147910 
+
+17
+-1689.220312115619 11.498188 12.86626 -9.2473 -7.0891 -10.483 0.7394 -0.2765 1.493 9.74185 -1.08131 5.3745823238 11.0666060034 0.205215495
+C      1.05943520     -0.05716547     -0.04141184
+N      2.52013526     -0.07721318     -0.13769602
+C      3.09779616      1.26200700     -0.11567376
+C      4.63855248      1.19888891      0.00237497
+C      5.31618157      0.53153560     -1.20887878
+C      5.16828559      2.54924687      0.20728519
+N      5.58477263      3.62829666      0.36140397
+H      0.67574444     -1.08284142     -0.12545328
+H      0.56066875      0.56634898     -0.81159156
+H      0.76463241      0.32939238      0.94575804
+H      2.78316216     -0.54713576     -1.00669713
+H      2.70166840      1.78422880      0.76927680
+H      2.82902195      1.88236052     -0.99863027
+H      4.87282787      0.61436845      0.90859568
+H      5.05664425      1.05586351     -2.13950985
+H      5.00094733     -0.51724306     -1.28712430
+H      6.40813355      0.54476122     -1.10215785 
+
+17
+-1652.2818680576743 12.712199 14.55467 -8.8397 -6.6741 -9.262 0.8325 -0.1873 2.464 8.85105 -1.98923 4.1943347926 10.4512014924 0.458957967
+C      1.00752264      0.01184875     -0.37338660
+N      2.46353653      0.02027974     -0.25943487
+C      2.95518868      1.26460633      0.34941402
+C      4.40891206      1.36885153      0.30951670
+C      5.61847411      1.48379180      0.26395166
+C      7.07263055      1.58948394      0.20163631
+N      7.50767193      2.60307929     -0.78137384
+H      0.68755060     -0.89764825     -0.89935550
+H      0.58525621      0.89176059     -0.90438253
+H      0.56188068     -0.01325390      0.63339170
+H      2.88508576     -0.07381138     -1.18639407
+H      2.61557953      1.28404037      1.40094926
+H      2.52301085      2.17498903     -0.12646332
+H      7.47957404      0.57336467      0.01836182
+H      7.44946886      1.89928818      1.19150522
+H      7.14873703      2.34889252     -1.70567482
+H      8.52838994      2.58166678     -0.84977112 
+
+13
+-1389.6915534395673 12.205629 13.30924 -9.5222 -7.3933 -9.925 0.3031 -1.5204 0.149 9.52198 0.19117 3.6176139136 8.0121117046 0.885867168
+C      0.99777099     -0.01705236     -0.00022340
+N      2.45741087     -0.00765330      0.08956323
+C      2.99405444      1.35492918      0.02405677
+C      4.44680055      1.37271217      0.02172720
+C      5.66622885      1.38823956     -0.00564471
+C      7.02967915      1.40653034     -0.03808054
+N      8.20370834      1.42139689     -0.07080359
+H      0.64678285     -1.05679858     -0.01754950
+H      0.59167101      0.50657599     -0.89046214
+H      0.57363459      0.46206282      0.89538078
+H      2.85725348     -0.55740563     -0.67447389
+H      2.63739427      1.90988552      0.91081068
+H      2.64033061      1.93361740     -0.86044089 
+
+21
+-1952.4373322731308 12.799615 14.26496 -8.4581 -6.2943 -10.008 0.8827 -0.0685 3.114 9.85043 -2.83533 8.2065217526 11.4855546974 0.18424864
+C      1.40684549     -0.44080332     -0.17129340
+N      2.81141562     -0.06691658     -0.02188833
+C      3.01014903      1.38571752     -0.06060525
+C      4.49399565      1.73687201      0.02677799
+C      4.78704546      3.24191786      0.09397865
+C      6.27321109      3.49939548      0.38334272
+N      4.29019298      3.90207829     -1.12965122
+H      1.31729028     -1.53533802     -0.21644626
+H      0.91263610     -0.01114864     -1.06926790
+H      0.84279494     -0.09796662      0.71050454
+H      3.34878196     -0.48951172     -0.78432641
+H      2.48431380      1.81597285      0.81115818
+H      2.56551100      1.86170007     -0.95875893
+H      5.02647756      1.31370758     -0.84785635
+H      4.92073437      1.24388725      0.91482216
+H      4.19607737      3.66125019      0.92926235
+H      6.90263745      3.07872255     -0.41797525
+H      6.58768808      3.04145030      1.33427451
+H      6.48070265      4.57846180      0.44325548
+H      4.84808514      3.58396410     -1.92998465
+H      4.45217394      4.91070706     -1.06304264 
+
+17
+-1690.2632213004888 11.370546 12.58682 -9.0601 -6.8991 -10.306 0.7416 -0.275 1.526 9.59559 -1.14403 5.3739004008 11.95658991 0.153250414
+C      1.17154565     -0.35169894      0.05208265
+N      2.60674513     -0.14518760     -0.14056717
+C      2.99700177      1.26311835     -0.06168472
+C      4.51801723      1.41691042     -0.10495272
+C      5.22308598      0.75234142      1.09541815
+C      4.94163172      1.43100280      2.35722989
+N      4.70596828      1.98835759      3.35501854
+H      0.93378881     -1.41715342     -0.07167815
+H      0.53053413      0.23198211     -0.64114819
+H      0.89929340     -0.06630579      1.07938995
+H      2.87539111     -0.51087720     -1.05839125
+H      2.61707749      1.66262201      0.89421015
+H      2.54384018      1.88712966     -0.86230873
+H      4.77951066      2.48447051     -0.14830570
+H      4.91141557      0.95524185     -1.02573179
+H      6.31372773      0.73788582      0.94963248
+H      4.87877515     -0.29016958      1.18190662 
+
+21
+-1944.6099853206736 12.952637 14.65725 -8.601 -6.4013 -10.018 0.9204 -0.017 3.245 9.70588 -2.97409 8.1487194794 11.6624083278 0.177316117
+C      0.99197938     -0.09784026     -0.05836904
+N      2.44776645     -0.01459274      0.01916006
+C      2.93565707      1.36345724     -0.02507522
+C      4.46186070      1.41961071     -0.01315116
+C      4.99926050      2.84922160     -0.00216076
+N      6.46086369      2.87414275      0.04327010
+C      7.00113317      4.23016231      0.00129218
+H      0.68288623     -1.15169013     -0.09587403
+H      0.55022663      0.42786650     -0.93241337
+H      0.55247905      0.34425563      0.84955723
+H      2.85599409     -0.53511076     -0.76169895
+H      2.54338461      1.88288618      0.86764449
+H      2.54698839      1.92463500     -0.90618117
+H      4.85008215      0.89396813     -0.90594605
+H      4.84267380      0.87732721      0.86547745
+H      4.63066516      3.37113137      0.89908444
+H      4.59063638      3.41034070     -0.87424708
+H      6.82528351      2.34268562     -0.75179406
+H      6.72449835      4.76179106      0.92525917
+H      6.63966859      4.83968284     -0.85498399
+H      8.09843210      4.19021904     -0.04137025 
+
+17
+-1650.1501550306218 12.744411 12.75867 -7.885 -6.0558 -8.521 1.4471 -0.207 0.725 7.8146 -0.14178 4.6061542916 6.7899941012 0.339674734
+C      1.08678890      0.12234769      0.65453476
+N      2.35557538     -0.08802884     -0.02913644
+C      2.60937361     -1.43354148     -0.56117693
+C      1.80642533     -1.75625692     -1.79470374
+C      0.96547678     -2.79202182     -1.88988418
+N      2.87746100      1.02498012     -0.58731853
+C      3.79596772      0.97338137     -1.49722107
+H      1.09520959      1.13570283      1.07069766
+H      0.98375226     -0.60659690      1.47203906
+H      0.21711754      0.01856350     -0.01971793
+H      2.37612099     -2.15324037      0.23841475
+H      3.69111269     -1.51622259     -0.76048358
+H      1.91925535     -1.07020424     -2.64003493
+H      0.82671682     -3.49084706     -1.05991118
+H      0.39273728     -2.98482417     -2.79850280
+H      4.20427982      1.93105681     -1.82034115
+H      4.19834894      0.05761208     -1.94922377 
+
+15
+-1492.3501898384206 12.353257 12.60942 -8.272 -6.3841 -8.881 1.2334 -0.209 0.638 8.18939 -0.05877 4.3686963044 10.8487873986 0.395842382
+C      1.52216592     -0.00864287      0.50994875
+N      2.07732817     -0.71813553     -0.63998163
+C      2.75452991     -2.00091179     -0.39043949
+C      3.59699550     -1.99890593      0.79573194
+C      4.31249707     -2.04062256      1.77438218
+N      1.31202596     -0.59687702     -1.75081786
+C      1.34729632     -1.46802671     -2.70559279
+H      1.12540186      0.94457492      0.14520100
+H      2.31320638      0.17448696      1.24602022
+H      0.70377265     -0.57326804      0.99469633
+H      3.38800883     -2.22127810     -1.26671311
+H      2.01023055     -2.82452541     -0.32036754
+H      4.94350224     -2.06939899      2.63928079
+H      0.74045057     -1.24007233     -3.58273859
+H      1.94091806     -2.39040659     -2.71480021 
+
+17
+-1680.423441266987 12.680213 13.08974 -8.1967 -6.3639 -9.066 0.5646 -1.0768 0.098 8.28463 0.34932 4.2679452808 6.0223471808 0.311530037
+C      1.16559957      1.16782078      1.82901886
+N      1.73151641      2.39789689      1.29667586
+C      2.97942601      2.36625406      0.68701060
+C      3.41495045      3.64401428      0.07245211
+C      3.04240231      4.86673374      0.48107015
+N      3.67222501      1.27372796      0.72494360
+C      5.02946970      1.27775324      0.20080873
+H      0.18794971      1.39468785      2.27217980
+H      1.82981574      0.76517278      2.60435226
+H      1.05138841      0.38629835      1.05830867
+H      1.07277662      3.04538482      0.87294433
+H      4.11592936      3.54986371     -0.76076954
+H      2.38566694      5.00730064      1.34216692
+H      3.40869372      5.76509457     -0.01800714
+H      5.49267748      0.30441709      0.41394928
+H      5.67083108      2.05677890      0.64968967
+H      5.05891148      1.41431035     -0.89717417 
+
+21
+-1945.0397828681243 12.782382 14.14281 -8.5246 -6.3956 -10.061 0.9282 0.0075 3.256 9.33812 -2.94129 8.1300223906 10.95850261 0.155481317
+C      1.08455338     -0.09593372      0.21268884
+N      2.53908969     -0.06429120      0.07272459
+C      3.04815442      1.28864062     -0.14478604
+C      4.58126620      1.33982586     -0.20168436
+C      5.12906700      0.57229899     -1.40854128
+N      4.98561091      2.75350770     -0.26814300
+C      6.40530243      2.98397698     -0.00172114
+H      0.74693226     -1.13756466      0.30634909
+H      0.53345302      0.37569322     -0.62902259
+H      0.79487165      0.43143233      1.13521373
+H      2.80300772     -0.65087740     -0.72212007
+H      2.70995454      1.90264740      0.71022709
+H      2.64132828      1.77189103     -1.06162687
+H      4.96261402      0.84985385      0.72228874
+H      4.72606456      0.99240268     -2.34297940
+H      4.87024546     -0.49460164     -1.34962390
+H      6.22523279      0.62578698     -1.45535841
+H      4.44135874      3.27039180      0.42726156
+H      7.01712082      2.63657157     -0.84704417
+H      6.78017758      2.48171335      0.91604600
+H      6.58113451      4.06369424      0.10005160 
+
+19
+-1794.7204680498664 12.168157 13.53898 -8.6987 -6.5212 -10.053 1.0069 0.0895 3.508 9.85143 -3.33014 8.2283432886 11.4919027806 0.204867332
+C      1.28106719      0.22480334      0.61652104
+N      2.57786162      0.32616990     -0.04952939
+C      3.21938800      1.62289347      0.16418730
+C      4.57595200      1.67763026     -0.53574847
+N      5.20795795      2.98370461     -0.34074317
+C      6.06183230      3.09084061      0.84965501
+C      6.66352225      3.00475968     -0.51321813
+H      0.81110314     -0.73604082      0.36451347
+H      0.57104437      1.03961785      0.35960400
+H      1.42909835      0.24606891      1.70749061
+H      2.44559268      0.18490117     -1.05476386
+H      3.36785795      1.75111096      1.25064378
+H      2.60304133      2.48367500     -0.17413146
+H      4.43862475      1.53522578     -1.62222970
+H      5.20775567      0.84023542     -0.17123391
+H      6.15728200      2.20561019      1.48843718
+H      6.02223423      4.04574363      1.37816610
+H      7.06916096      3.89644719     -0.99640001
+H      7.16031326      2.06421285     -0.77512039 
+
+17
+-1665.743961517976 11.607684 12.58102 -9.241 -7.2117 -9.818 1.4919 -0.1321 1.02 9.12571 -0.3271 4.4849827738 11.8406134056 0.217611689
+C      1.56584533      0.18516510      0.81837550
+N      2.92898141      0.60797468      0.53516977
+C      3.11593146      1.64133580     -0.19235988
+C      2.04001096      2.49842239     -0.81059784
+N      4.45183934      2.10159575     -0.50515430
+C      5.47762069      1.02632367     -0.61552985
+C      5.45582644      1.89473697      0.57747969
+H      1.58662765     -0.72438885      1.43282322
+H      0.99725223     -0.03783391     -0.10228820
+H      0.99997941      0.95592103      1.37204012
+H      1.42066943      1.90185563     -1.49913013
+H      2.48298226      3.33461460     -1.36053429
+H      1.36122157      2.88912211     -0.03650929
+H      6.20784982      1.19359067     -1.40993121
+H      5.11252589      0.00580551     -0.47833785
+H      5.07545292      1.44357384      1.49694136
+H      6.17002318      2.71404502      0.68158319 
+
+19
+-1817.1817841666284 12.633853 13.36877 -7.8987 -6.0353 -8.958 0.8148 -0.1025 1.148 8.12329 -0.45768 4.4828006202 5.566413463 0.175711325
+C      1.11345621     -0.13332317     -0.06563363
+N      2.55204942      0.05937566     -0.11890103
+C      3.04045591      1.25514961     -0.12026964
+C      2.23785078      2.53614634     -0.00530937
+N      4.41897497      1.40775347     -0.29173056
+C      5.21454712      0.18784137     -0.36977304
+C      5.11919939      2.53458642      0.31008517
+H      0.89802963     -1.20801446     -0.14606562
+H      0.56986468      0.36799222     -0.88910346
+H      0.66860456      0.21727982      0.88397736
+H      1.18827071      2.34654847     -0.25682284
+H      2.61380061      3.31735489     -0.67899139
+H      2.26300619      2.93228003      1.02186185
+H      4.71132782     -0.53142084     -1.02422249
+H      5.34114540     -0.29321023      0.61834896
+H      6.20451393      0.44166747     -0.77373366
+H      5.34784555      2.36692272      1.38183762
+H      4.53473727      3.45671739      0.22568049
+H      6.07048985      2.69171283     -0.21813473 
+
+17
+-1686.9892495709673 13.671515 13.49774 -7.6516 -5.8909 -8.516 1.3605 -0.2069 0.687 7.74455 -0.09792 4.557043437 5.1031273754 0.481438346
+C      1.11910290     -0.27484615     -0.09433791
+N      2.52501947      0.08968380     -0.11029633
+C      2.87073862      1.32760403     -0.02146017
+C      1.96685102      2.52943401      0.10679647
+N      4.24054718      1.58044225     -0.05010242
+C      4.89726593      2.79569133      0.03069448
+C      6.23409925      2.96036699      0.00100203
+H      1.04028786     -1.36982262     -0.13297238
+H      0.56500403      0.12197196     -0.96449241
+H      0.59203888      0.05824636      0.81834667
+H      0.91735678      2.22000532      0.12337122
+H      2.10715382      3.22157103     -0.73659316
+H      2.17480471      3.08621592      1.03252298
+H      4.79707937      0.72973048     -0.13863451
+H      4.24109781      3.66160324      0.12392592
+H      6.92265469      2.11910258     -0.09107608
+H      6.65713767      3.95926948      0.07051559 
+
+17
+-1676.936388499793 12.333427 12.66253 -8.4177 -6.6119 -9.309 0.7217 -0.9407 0.135 8.42849 0.32006 4.6095639066 5.7618401962 0.373303493
+C      0.58467651     -0.26336036     -0.12958175
+N      1.96578071     -0.20229892      0.32425313
+C      2.45764356     -1.49221742      0.81788762
+C      2.83130968      0.64170023     -0.39125813
+N      2.54783383      1.29654592     -1.47354250
+C      4.16820454      0.92362631      0.19429496
+C      4.47930086      0.92109210      1.49825517
+H      0.17793949      0.75071388     -0.24228212
+H     -0.01036203     -0.78817178      0.63025207
+H      0.46616514     -0.80577823     -1.08905117
+H      1.90963806     -1.78065805      1.72771040
+H      3.52315858     -1.42769455      1.05452909
+H      2.31681455     -2.28845888      0.06180238
+H      1.60611720      1.06992748     -1.81706216
+H      4.90019938      1.25124008     -0.54688844
+H      3.75057841      0.65245778      2.26533697
+H      5.47318153      1.21885443      1.83478447 
+
+15
+-1519.272297366655 12.01562 12.46619 -8.4423 -6.67 -9.322 0.9246 -0.7627 0.281 8.3783 0.23562 3.9877493194 10.4649515398 0.303038214
+C      1.01646907     -0.03568838      0.28174317
+N      2.45753038      0.03433268      0.11359427
+C      3.12303317     -1.21458671     -0.24018807
+C      3.01932952      1.27481458     -0.18131873
+N      2.41262131      2.41786451     -0.27183202
+C      4.45598762      1.28832017     -0.35044658
+C      5.65855074      1.33869532     -0.50904875
+H      0.67469848      0.73292575      0.98960734
+H      0.75900747     -1.01652334      0.70050342
+H      0.46741374      0.09079780     -0.67069213
+H      2.89873089     -1.98092386      0.51602504
+H      4.20604046     -1.05723379     -0.26833763
+H      2.79726523     -1.58964126     -1.22776603
+H      1.39580150      2.30751736     -0.17532334
+H      6.71834039      1.39872917     -0.65050995 
+
+19
+-1806.8517236973048 12.592915 13.45229 -8.7193 -6.6262 -9.499 1.3508 -0.1279 1.351 8.95272 -0.7682 6.6512537672 6.6512537672 0.421177671
+C      1.21984946     -0.23753759      0.31692186
+N      2.63688297      0.06821918      0.52105877
+C      2.98907835      1.47674448      0.26702264
+C      2.53838517      2.35893622      1.45303160
+N      2.70970402      3.77934617      1.12577128
+C      4.47959649      1.58191694      0.09271442
+C      5.09485921      2.21055821     -0.91581748
+H      1.07824304     -1.32574907      0.36691715
+H      0.81553583      0.12401614     -0.65198989
+H      0.61046425      0.20411238      1.11862741
+H      3.18952942     -0.51033386     -0.11531105
+H      2.49219868      1.87884256     -0.64303605
+H      3.08102266      2.01317567      2.35573359
+H      1.46666056      2.18552584      1.63406897
+H      3.70600373      3.98867571      1.01615085
+H      2.37294084      4.35705454      1.89814189
+H      5.07197233      1.10898888      0.88622106
+H      4.52771892      2.68875157     -1.71820029
+H      6.18344407      2.26953601     -0.96991673 
+
+17
+-1650.9876845122828 12.038581 13.01706 -8.8859 -6.7909 -9.675 0.9295 -0.0176 2.264 9.23385 -1.84244 4.3288596026 10.7601622058 0.637824962
+C      2.67852042     -0.87409395     -0.87545876
+N      2.39580651      0.03949517      0.23460553
+C      2.93973225      1.39254675      0.04136258
+C      2.40728098      2.32375984      1.14884979
+N      2.82542568      3.70625278      0.90566243
+C      4.41215952      1.43116150     -0.00965040
+C      5.62815986      1.41334213      0.00045963
+H      2.27527965     -1.86606261     -0.63064583
+H      3.75395497     -0.98046405     -1.11647449
+H      2.15955946     -0.51690752     -1.77792801
+H      2.79761842     -0.34620609      1.09418921
+H      2.55199630      1.77464156     -0.91951328
+H      2.72676573      1.90809606      2.12763472
+H      1.30991011      2.26899162      1.10924283
+H      3.84155327      3.78149356      1.00911067
+H      2.41261562      4.32226532      1.60825261
+H      6.69919124      1.39968794     -0.00559922 
+
+19
+-1807.8063690886415 12.634696 13.44025 -8.7887 -6.6454 -9.395 0.8738 -0.0948 1.381 8.91814 -0.80432 6.6036431432 6.6036431432 0.444540623
+C      2.81645261     -0.68454884      1.55323780
+N      2.68633598     -0.18623004      0.18365348
+C      3.03155647      1.22898862      0.03115910
+C      4.56506135      1.42515483     -0.10351309
+N      5.15852347      0.65469393     -1.19829951
+C      4.89440754      2.89080493     -0.18404289
+C      5.74588531      3.45394284     -1.04900201
+H      2.44080783     -1.71555949      1.60440559
+H      2.27299709     -0.07374770      2.30477068
+H      3.87576781     -0.71071375      1.84895882
+H      1.73181828     -0.33853750     -0.14161051
+H      2.65497084      1.84868684      0.87549398
+H      2.55686669      1.60345673     -0.89061214
+H      5.01947579      1.04898087      0.83557247
+H      4.83941802      1.05506407     -2.08810190
+H      4.74585532     -0.28366642     -1.15526901
+H      4.37209323      3.52275876      0.54312960
+H      6.30561860      2.85195138     -1.76683409
+H      5.92527776      4.52973995     -1.04263639 
+
+17
+-1650.3628010663515 12.063141 13.02227 -8.8991 -6.7509 -9.679 0.8871 -0.1084 2.363 9.31495 -1.92596 4.3665141508 10.630063696 0.27459407
+C      1.48241053     -0.40032998     -0.53685771
+N      2.87185198      0.05027542     -0.56252471
+C      3.10192221      1.23871831      0.25077038
+C      4.60961724      1.60190360      0.27266308
+N      5.48780752      0.55859100      0.83168932
+C      5.05108506      1.95804008     -1.08295696
+C      5.35806263      2.23493950     -2.22443742
+H      1.36107976     -1.25437666     -1.21733366
+H      0.74616875      0.38005962     -0.82271998
+H      1.22578487     -0.74416243      0.47728122
+H      3.14355885      0.26485546     -1.52671267
+H      2.79336515      1.01255574      1.28610293
+H      2.51560292      2.12440947     -0.07990548
+H      4.72219738      2.50206531      0.90241207
+H      5.22997018     -0.32699337      0.38239204
+H      5.26056859      0.44617998      1.82369521
+H      5.66200639      2.49133894     -3.21882765 
+
+21
+-1938.837836660279 12.95487 14.26266 -8.2873 -6.2522 -9.724 0.9389 0.0253 3.402 8.9405 -3.12418 7.7616227888 11.8707544022 0.217042652
+C      2.10040040     -1.05705855     -0.19033224
+N      3.21904785     -0.20271123      0.20056288
+C      2.93703776      1.22098002      0.01640684
+C      4.11848888      2.05879754      0.51099980
+N      3.99759981      3.48550188      0.19925795
+C      2.91041727      4.12055501      0.94004201
+C      5.25720668      4.17422892      0.46423133
+H      2.39732781     -2.11215022     -0.11051629
+H      1.72457024     -0.87775157     -1.22032331
+H      1.25938534     -0.89647651      0.50215076
+H      4.04009980     -0.45180068     -0.35775796
+H      2.03200620      1.44986347      0.60345777
+H      2.71464681      1.49752565     -1.03770146
+H      5.03263853      1.69452051      0.01105126
+H      4.25790021      1.87983647      1.60170007
+H      1.94506535      3.67112412      0.67208461
+H      2.86530092      5.18704267      0.67706384
+H      3.03762636      4.04213714      2.04441209
+H      6.06122116      3.72445294     -0.13621759
+H      5.56054684      4.13270364      1.53543699
+H      5.16735578      5.23224880      0.17780067 
+
+14
+-1427.8352054351144 10.843064 11.31122 -9.0607 -7.2458 -9.814 0.5384 -1.3095 -0.461 8.86046 0.83002 4.5818902314 11.1855085774 0.227167829
+C      0.99847974     -0.03657823      0.17326318
+N      2.45033924      0.02547476      0.12888743
+C      3.15462911     -1.22062753     -0.16087821
+C      3.03565186      1.26734280     -0.03929461
+N      2.48408971      2.43428393     -0.12026971
+C      4.49360356      1.25864000     -0.07843511
+N      5.65963495      1.26310313     -0.11761728
+H      0.60547585      0.69079015      0.89820829
+H      0.70037022     -1.03861928      0.50375271
+H      0.53744478      0.15809139     -0.81207579
+H      2.87705947     -1.98219975      0.58131026
+H      4.23656592     -1.06132959     -0.10359677
+H      2.90958651     -1.60035115     -1.16771366
+H      1.45906908      2.36946937     -0.11766072 
+
+14
+-1428.246791645199 10.613298 11.23046 -9.1524 -7.2844 -9.771 0.6682 -0.4589 0.638 8.9265 -0.10738 4.9013029646 5.8918395172 0.157096638
+C      1.01539832      0.12285215     -0.33607132
+N      2.37375201     -0.00286168      0.17444931
+C      2.94332012     -1.33990096      0.22175216
+C      3.11504731     -1.95845971     -1.10736574
+N      3.21486511     -2.42138067     -2.17320878
+C      3.24104062      1.08475990      0.11076998
+N      3.00741162      2.29779587     -0.23096863
+H      0.55322654      1.03108351      0.07311672
+H      0.42325232     -0.73742848      0.00102640
+H      0.97888746      0.16549587     -1.43844585
+H      2.30564700     -2.00358529      0.82836551
+H      3.92504701     -1.29328549      0.71637164
+H      4.25380467      0.82751768      0.45546965
+H      2.04388990      2.43080731     -0.56668105 
+
+12
+-1285.8961763483542 9.739981 10.84965 -10.316 -8.1423 -11.145 0.7613 -1.0661 0.442 10.39858 -0.27907 5.365742122 10.4267018588 0.112902687
+C      0.97832504     -0.09152138     -0.17312590
+N      2.41562550      0.01271750      0.09719006
+C      2.89426301      1.39841671      0.05553694
+C      2.39588823      2.15430103      1.22664989
+N      1.95865081      2.76542134      2.11622683
+C      4.36649608      1.43037574      0.01288508
+N      5.52720022      1.43668109     -0.08076693
+H      0.70433899     -1.15323353     -0.18255816
+H      0.66679912      0.36680629     -1.13230655
+H      0.41828989      0.39060515      0.64018697
+H      2.95153619     -0.52800671     -0.58484989
+H      2.54284690      1.96460677     -0.84002835 
+
+14
+-1403.954779234589 11.14277 11.52269 -8.7722 -6.8776 -9.252 1.0617 -0.5513 0.375 8.57542 0.19295 4.7402823464 5.2450789468 0.340397924
+C      2.00796752      0.19063139      0.46438942
+N      3.08825868     -0.49030500     -0.23592342
+C      2.88132470     -1.89514979     -0.57707426
+C      2.74272517     -2.73965202      0.61302183
+N      2.60479644     -3.41652743      1.55191454
+N      3.81038738      0.14709053     -1.19783043
+C      3.74433310      1.43060391     -1.31958628
+H      2.41125423      1.02534445      1.05420921
+H      1.53663345     -0.51393101      1.15916532
+H      1.24582873      0.58442162     -0.23592394
+H      3.76056766     -2.21432032     -1.15349371
+H      1.98915385     -2.05270067     -1.21668491
+H      4.39401914      1.87430182     -2.07423498
+H      3.11133994      2.09248252     -0.71749839 
+
+17
+-1671.2746759310087 12.216305 13.17693 -8.7425 -6.8323 -9.608 1.1655 -0.0846 1.05 8.99012 -0.40844 4.7721343498 6.1595128926 0.209242541
+C      1.14709794      1.02540022     -0.24904111
+N      2.49867494      1.40894123      0.11426221
+C      3.36609026      0.47541237      0.19503302
+N      4.67286298      0.68272712      0.64657131
+C      5.80098180      0.57961496     -0.29132301
+C      5.39125229      1.90268007      0.29170895
+C      6.19174594      2.58424429      1.37205050
+H      0.45671715      1.29215462      0.56695069
+H      1.02788245     -0.05445626     -0.46805065
+H      0.82847424      1.59927074     -1.13305330
+H      3.14715162     -0.58934376     -0.01872934
+H      5.56892763      0.39747934     -1.34472450
+H      6.68532752      0.06620041      0.09551476
+H      4.84259499      2.56579674     -0.38569421
+H      6.67448537      1.84535171      2.02628641
+H      5.54101862      3.21773693      1.99155528
+H      6.97058426      3.22277927      0.92984298 
+
+17
+-1675.656817472545 12.270141 13.01453 -8.0367 -6.1904 -9.017 0.9461 -0.0185 1.142 8.22692 -0.49741 4.829750644 5.6750128004 0.22001246
+C      1.05453463      0.85143439      0.74924163
+N      2.40693926      1.36407567      0.64854886
+C      3.17651896      0.81228614     -0.21618482
+N      4.44944529      1.25885248     -0.46389699
+C      5.24125569      2.10161373      0.45311588
+C      6.52785773      1.46600974     -0.14015759
+C      5.61278909      0.43214084     -0.85323313
+H      0.33183214      1.64542975      0.49883106
+H      0.84494907      0.55195799      1.78877317
+H      0.85179888     -0.01708744      0.08962271
+H      2.87821682     -0.04128220     -0.85871906
+H      5.05029784      1.85590320      1.51110352
+H      5.09819903      3.18189159      0.30788975
+H      7.05675164      2.12621856     -0.83798599
+H      7.23959833      1.05356787      0.58327679
+H      5.74599176      0.31687675     -1.93974579
+H      5.62140384     -0.56372905     -0.37730001 
+
+17
+-1678.2341610557462 12.305866 13.33779 -8.3627 -6.418 -9.186 1.0382 0.0632 1.073 8.45242 -0.46564 4.8178231908 5.7980689054 0.243410106
+C      0.49728223      1.52897049      1.40029644
+N      1.85103432      1.12130176      1.07932550
+C      2.61187720      1.99952960      0.54330786
+N      3.89043992      1.71010525      0.10613495
+C      4.88007689      2.74325655     -0.02737385
+C      5.85315218      2.63889418     -1.17555854
+C      4.77115358      3.69097209     -1.20079766
+H     -0.22371558      0.91140238      0.84009376
+H      0.28359080      2.59403236      1.17637202
+H      0.29783365      1.35437736      2.46975659
+H      2.30748585      3.04568071      0.34475306
+H      4.22472625      0.79367830      0.40535788
+H      5.27265784      3.17113182      0.90331942
+H      5.73138976      1.78521571     -1.84227513
+H      6.88229693      2.95034843     -0.99877067
+H      5.05014066      4.73182502     -1.03801727
+H      3.93804752      3.53264799     -1.88516438 
+
+17
+-1676.1975536211878 11.616774 12.38516 -8.4773 -6.573 -9.334 0.8486 -0.098 1.019 8.45916 -0.44832 4.957208252 11.48978262 0.259511519
+C      0.97337658      0.04330075      0.19577682
+N      2.26382404     -0.29188042     -0.40036840
+C      2.61241807     -1.63581272     -0.50641974
+N      3.76909447     -2.17900575     -0.64079038
+C      3.30360049      0.69172178     -0.27240482
+C      4.17628496      0.98689159     -1.47183603
+C      3.15100020      1.99595219     -1.01856375
+H      0.59695671      0.98750975     -0.22157947
+H      1.03514913      0.14829245      1.29466399
+H      0.25045283     -0.74996703     -0.03517137
+H      1.72771525     -2.29000313     -0.50358274
+H      4.51312105     -1.46747606     -0.61548404
+H      3.78676929      0.74629909      0.71281560
+H      3.95957455      0.42825596     -2.38179137
+H      5.23117322      1.19667518     -1.29485980
+H      3.49447408      2.90409781     -0.52369925
+H      2.26222507      2.11513854     -1.63856526 
+
+17
+-1687.2186517245382 11.689306 12.74496 -8.539 -6.6313 -9.432 0.7579 -0.1741 1.141 8.62195 -0.50968 4.9951603666 11.5620168636 0.267022969
+C      0.79722227      0.68317232     -0.83424855
+N      2.20306096      0.37564801     -0.65953484
+C      2.98974111      1.05800812      0.25468319
+N      2.65266001      2.11154835      0.92304316
+C      4.36111578      0.48170886      0.41596760
+C      5.49904425      1.40476851      0.80435031
+C      4.96745912      0.42756707      1.80904684
+H      0.37268811     -0.00431687     -1.57531168
+H      0.66914392      1.70780835     -1.21747872
+H      0.22028681      0.58939298      0.10370592
+H      2.50513610     -0.56098352     -0.90851122
+H      1.68050105      2.38455735      0.74237326
+H      4.61023273     -0.34001061     -0.25973611
+H      5.21634211      2.44936636      0.93628073
+H      6.47233022      1.21643428      0.35112143
+H      5.56654070     -0.44733409      2.06356225
+H      4.34016476      0.83077452      2.60423642 
+
+17
+-1682.4590803680023 13.612136 13.46766 -7.761 -5.9982 -8.434 1.5497 0.0055 0.707 7.60455 -0.13422 4.7153239646 5.0335960266 0.498325596
+C      0.91978262      0.17323045      0.18176701
+N      2.35652655      0.00207543      0.09401592
+C      3.06841009      1.06376546      0.06729995
+N      4.45328390      1.05632631     -0.01355660
+C      5.17265979     -0.20893614     -0.07267320
+C      5.15723140      2.25511388     -0.03558741
+C      6.49486714      2.39405404     -0.10776525
+H      0.53934338     -0.33379459      1.08275723
+H      0.43374064     -0.30722950     -0.68240253
+H      0.59439023      1.23236982      0.21734921
+H      2.64923824      2.08642322      0.10656747
+H      4.43289218     -1.01437680     -0.03820429
+H      5.86107790     -0.29422852      0.78181616
+H      5.75390789     -0.27179457     -1.00515542
+H      4.51116344      3.13512850      0.01267209
+H      7.17952295      1.54928583     -0.15766380
+H      6.92290165      3.39360717     -0.11731652 
+
+19
+-1826.1529583407844 12.950831 13.92328 -8.2056 -6.2903 -9.135 0.8692 -0.0327 1.096 8.3919 -0.48638 4.8153806666 5.7769664882 0.238828333
+C      1.86024264     -0.94859389     -0.06343848
+N      3.15699122     -0.54422680      0.44220327
+C      3.70290881      0.47754110     -0.10449788
+N      4.97609479      0.90461444      0.19912073
+C      5.39056291      2.29489819     -0.00955198
+C      4.92070897      3.22630327      1.11785261
+C      6.90741296      2.35520367     -0.20230307
+H      1.91895319     -1.96535997     -0.48577554
+H      1.45408069     -0.27664228     -0.84742297
+H      1.13275624     -0.99205749      0.76324468
+H      3.21788154      1.07588177     -0.90322519
+H      5.38023006      0.43130865      1.00883176
+H      4.90797431      2.61381303     -0.94954232
+H      5.38699541      2.94325069      2.07442081
+H      3.83043448      3.17176042      1.24334306
+H      5.19301287      4.27080692      0.90537723
+H      7.42918607      2.01804705      0.70736925
+H      7.23315417      3.38422784     -0.40847393
+H      7.22134867      1.71220340     -1.03516203 
+
+17
+-1688.7225594788617 13.728375 13.59518 -7.7444 -5.949 -8.466 1.2683 -0.2217 0.666 7.70118 -0.11324 4.777862503 5.10884313 0.497670347
+C      0.72821532      0.59849907     -0.76918929
+N      1.96425015      0.75574081     -0.02958887
+C      2.79358334      1.63258391     -0.45947132
+N      3.99447619      1.84970809      0.18075712
+C      5.00631109      2.75293148     -0.15627817
+C      4.77286721      3.62120039     -1.36121089
+C      6.13637100      2.83030098      0.57882783
+H      0.63435679     -0.44152943     -1.12167287
+H      0.63802699      1.27070461     -1.64645338
+H     -0.13095445      0.78306130     -0.10398266
+H      2.61851675      2.26311576     -1.34726684
+H      4.14432612      1.25906415      0.99833233
+H      4.63420286      3.02168608     -2.27397015
+H      5.63704020      4.27749088     -1.51207821
+H      3.87954778      4.25290818     -1.23982551
+H      6.30086498      2.19827820      1.45227618
+H      6.91752769      3.53632554      0.30902469 
+
+17
+-1680.0952869487971 13.013498 13.68404 -8.3581 -6.4425 -9.193 1.5836 -0.093 1.032 8.46221 -0.41793 4.7729526574 5.7988996116 0.277511575
+C      0.73050917      2.22072084     -0.06651861
+N      2.17103104      2.22880857     -0.22761630
+C      2.78948975      1.12977573     -0.00467717
+N      4.16091844      1.01084747     -0.03759579
+C      5.00322356      2.09538935     -0.53784869
+C      6.39720044      1.98555571      0.00304161
+C      7.49677719      1.91194336     -0.75515187
+H      0.24701612      2.55174238     -0.99972053
+H      0.43527183      2.93954048      0.71524605
+H      0.31501577      1.22908238      0.20636607
+H      2.28033476      0.18481927      0.27037464
+H      4.52909537      0.06909092     -0.13342700
+H      4.52498844      3.02913508     -0.20284173
+H      5.01631601      2.12614988     -1.64304679
+H      6.48338573      1.97205821      1.09487749
+H      7.43432515      1.91844576     -1.84671233
+H      8.49303123      1.85577460     -0.31469906 
+
+15
+-1522.2455158651399 12.36582 13.32914 -8.5845 -6.6414 -9.323 0.8997 -0.0013 0.972 8.59595 -0.35151 4.402432895 10.438257354 0.446051995
+C      0.95187437      2.81706377      1.34398635
+N      2.34231499      2.74738632      0.93795049
+C      2.70036353      1.72369334      0.25627221
+N      4.00444275      1.50417157     -0.12218556
+C      4.99221998      2.56736938      0.06853938
+C      6.29831260      2.17432550     -0.44113741
+C      7.38126083      1.85318654     -0.88338770
+H      0.88175871      2.83592021      2.44363424
+H      0.33391235      1.97348754      0.97491974
+H      0.50393838      3.75625827      0.98209181
+H      2.01256887      0.91425517     -0.05632819
+H      4.16395297      0.87347044     -0.90159227
+H      5.05100662      2.79494084      1.14534247
+H      4.66101566      3.50445709     -0.41746163
+H      8.34395738      1.57608403     -1.26188393 
+
+17
+-1681.104385857191 12.541485 12.56888 -8.0643 -6.2792 -8.596 1.1511 -0.4145 0.64 7.85727 -0.10655 4.8467491246 5.179577143 0.303976927
+C      1.24852238      0.15082802     -0.31538628
+N      2.64345097      0.07764503      0.11500002
+C      3.11850639     -1.18972539      0.47459176
+N      4.30398204     -1.67803544      0.51791823
+C      3.44271478      1.23222836     -0.03503674
+C      4.70349462      1.33159888      0.79431699
+C      3.04507031      2.26997720     -0.80444806
+H      0.78751624      1.07176829      0.06799235
+H      0.70866079     -0.71677548      0.08262494
+H      1.15537080      0.13786667     -1.41415551
+H      2.28866511     -1.84923762      0.76768143
+H      5.00916427     -1.01589108      0.17538681
+H      4.60341755      0.81109286      1.75524126
+H      4.91225280      2.39078661      0.98938210
+H      5.58507017      0.92206116      0.27933205
+H      2.15286493      2.24735807     -1.42589194
+H      3.63986586      3.18128386     -0.82043940 
+
+19
+-1800.3565223000403 12.768918 13.386 -7.7639 -5.8946 -9.136 1.066 -0.1217 0.929 8.46217 -0.22 4.5010265622 6.165079864 0.220746446
+C      1.61930540     -0.70904491      0.16123636
+N      3.07342563     -0.61098642      0.00200374
+C      3.51761075     -1.47605859     -1.09822369
+N      3.36841467      0.76528335     -0.29305735
+C      4.58205045      1.14445464     -0.06651767
+C      5.67933176      0.28910726      0.50665668
+C      4.90950201      2.57728326     -0.38238536
+H      1.30019379     -0.03455256      0.96480837
+H      1.36532552     -1.73941009      0.44602435
+H      1.07187423     -0.44041994     -0.76413016
+H      3.20648544     -2.50691844     -0.87960503
+H      4.61121197     -1.46173988     -1.18571594
+H      3.07867181     -1.17023322     -2.07022551
+H      6.34878467     -0.08536552     -0.28458773
+H      5.24854089     -0.57244943      1.03378081
+H      6.30242940      0.88007587      1.19327981
+H      4.02446126      3.09216325     -0.77398717
+H      5.71919916      2.63843713     -1.12722783
+H      5.26838119      3.09931425      0.51945332 
+
+17
+-1660.5701758957914 14.546491 13.55387 -7.4926 -5.7177 -8.074 0.7162 -0.7816 -0.104 7.44865 0.61444 4.3085382972 4.3085382972 0.539202821
+C      0.90143154     -0.36709870     -0.32645355
+N      2.31010171     -0.30004978      0.03921644
+C      2.97318510     -1.55745647      0.35017464
+N      2.97311100      0.71355128     -0.55476997
+C      4.27491827      0.69396305     -0.65256201
+C      4.95446087      1.83275450     -1.22679367
+C      6.29212761      1.92602067     -1.37633427
+H      0.53576422      0.65767223     -0.45242932
+H      0.33354427     -0.86205740      0.47319723
+H      0.73913209     -0.91826167     -1.27246737
+H      2.24546589     -2.23107765      0.81723771
+H      3.79575267     -1.39328723      1.06176420
+H      3.38568622     -2.04647389     -0.55439804
+H      4.89246504     -0.14849305     -0.30906874
+H      4.30490248      2.65169407     -1.55048916
+H      6.95872905      1.12090302     -1.05815761
+H      6.75337196      2.80682704     -1.82163650 
+
+15
+-1499.9290079598127 13.751074 13.23764 -7.7764 -5.9524 -8.161 0.7015 -0.8313 0.079 7.56213 0.45172 3.9816740054 4.1697359702 0.320972263
+C      1.01491021      0.02072065      0.00012458
+N      2.46047077     -0.10876816      0.12398402
+C      3.02848702     -1.44737302      0.09560448
+N      3.14830944      0.96146562     -0.29771036
+C      4.42658186      0.85969438     -0.56050516
+C      5.16505665      2.00560712     -0.93985633
+C      5.87487488      2.93672560     -1.27844663
+H      0.76068076      1.07876261      0.12306447
+H      0.51976679     -0.56853060      0.78424079
+H      0.64996403     -0.31967759     -0.98650000
+H      2.28260341     -2.15416357      0.47638326
+H      3.91752052     -1.50266725      0.74187188
+H      3.32078223     -1.75064743     -0.92825409
+H      4.98409801     -0.08343090     -0.49464081
+H      6.47700343      3.77223254     -1.57016010 
+
+17
+-1691.334127609577 12.750612 13.42671 -8.5491 -6.7121 -9.143 0.8642 -0.724 0.124 8.45941 0.37032 4.7387077242 5.4526935038 0.551277913
+C      0.92350686      0.81241296     -0.62865009
+N      2.25616061      0.27779318     -0.41978086
+C      3.27235382      1.07927800      0.08597341
+N      3.21821612      2.36274135      0.27124946
+C      4.54867283      0.40489691      0.40426003
+C      4.91996742     -0.83222188      0.03370073
+C      6.23110372     -1.46527165      0.37734656
+H      0.26846819      0.00437462     -0.97584008
+H      0.93756448      1.58788972     -1.40957905
+H      0.48527290      1.25030445      0.28724054
+H      2.30366616     -0.70087958     -0.15147023
+H      2.29102861      2.73564453      0.02844915
+H      5.23239305      1.03609088      0.97751697
+H      4.24832016     -1.43503057     -0.58890243
+H      6.85919555     -0.79497997      0.97914650
+H      6.78867505     -1.73921984     -0.53259967
+H      6.08300446     -2.39956310      0.94307906 
+
+19
+-1832.19872615072 12.188748 13.28063 -8.5475 -6.6259 -9.439 0.711 -0.2383 1.202 8.62527 -0.55578 5.0178250074 11.246708067 0.15845016
+C      0.86731807      1.41474244      0.18283257
+N      2.27526326      1.08666385      0.28535421
+C      3.23430770      1.69091611     -0.50491476
+N      3.01899331      2.49456998     -1.49248674
+C      4.67477601      1.31960926     -0.15226542
+C      5.35716772      0.63482835     -1.34498699
+C      5.45102492      2.56745046      0.29406229
+H      0.31130568      0.83653197      0.93012483
+H      0.47285058      1.14796632     -0.81082033
+H      0.67224514      2.48835514      0.35541202
+H      2.59268738      0.62483943      1.13066428
+H      2.01744942      2.67824983     -1.62658333
+H      4.65011352      0.60313697      0.68941091
+H      5.36882722      1.31673993     -2.20629777
+H      4.82185476     -0.27847242     -1.64212551
+H      6.39244197      0.36149803     -1.09300062
+H      5.46512806      3.30557820     -0.51971599
+H      6.48738903      2.30541323      0.55328946
+H      4.98720625      3.03990290      1.17240690 
+
+17
+-1690.7964748076474 12.277888 12.88298 -8.6516 -6.7985 -9.306 0.8206 -0.7562 0.2 8.63479 0.24206 4.7330539626 5.5875282788 0.453377913
+C      1.15928829      1.15770429     -0.82153537
+N      2.44074038      0.50197250     -0.64595543
+C      3.53898494      1.19503248     -0.15721254
+N      3.60468028      2.46959213      0.06485724
+C      4.76207638      0.36556359      0.09151110
+C      5.73176671      0.91764127      1.09754532
+C      4.98436320     -0.78159564     -0.57616785
+H      0.42667611      0.41689145     -1.16340793
+H      1.22779994      1.94067837     -1.59232866
+H      0.78157379      1.61959246      0.10935784
+H      2.41779013     -0.48874783     -0.42317086
+H      2.70799409      2.93065856     -0.13441469
+H      5.26860491      0.98089715      2.09412361
+H      6.00616104      1.94550681      0.82385701
+H      6.63291261      0.29489663      1.16025604
+H      4.31019330     -1.14293411     -1.35391295
+H      5.88261389     -1.37173012     -0.38779189 
+
+15
+-1534.9218645787648 12.485702 13.7703 -8.6039 -6.7652 -9.283 1.2175 -0.4008 0.421 8.5567 0.11627 3.8959376864 10.3480327418 0.271941652
+C      1.10543899     -0.19313602     -0.23492086
+N      2.52334510      0.00939494     -0.01574602
+C      3.10126376      1.26916856     -0.10783345
+N      2.48980924      2.40649723     -0.21619834
+C      4.54189706      1.24216285     -0.04312382
+C      5.75702266      1.19770406     -0.00433601
+C      7.20867869      1.18049310      0.04620824
+H      0.88739851     -1.26504296     -0.16205906
+H      0.77363234      0.16627598     -1.22576026
+H      0.51259010      0.32204578      0.53725840
+H      3.14659523     -0.77965977     -0.15219339
+H      1.47157649      2.26825877     -0.26466397
+H      7.61084529      2.20372402      0.07294405
+H      7.62999503      0.67480841     -0.83538001
+H      7.56814151      0.65137506      0.94123451 
+
+17
+-1688.042817262324 12.260793 12.93693 -8.6342 -6.7253 -9.603 1.3685 -0.2511 0.833 8.75549 -0.35362 5.0240739018 6.5313593052 0.473354566
+C      0.47381304      1.90184893     -0.30463383
+N      1.65261863      1.08571641     -0.09248285
+C      2.91647761      1.63590039     -0.00996443
+N      3.22239584      2.88926776      0.04766953
+C      4.03148555      0.59853194      0.07961849
+C      3.96167371     -0.45101441     -0.99328972
+C      3.77521247     -1.75956403     -0.77645207
+H     -0.40209818      1.24774700     -0.38776089
+H      0.54200027      2.51491498     -1.22127277
+H      0.30783700      2.57676606      0.54953746
+H      1.61136212      0.11301981     -0.38688015
+H      2.38197075      3.48105235     -0.00400982
+H      3.99179866      0.12060682      1.07227237
+H      4.97236406      1.16277158      0.01389442
+H      4.06687613     -0.08955286     -2.02290319
+H      3.67467018     -2.15924029      0.23646333
+H      3.73564215     -2.47555245     -1.59884586 
+
+15
+-1531.7753249167672 11.700586 12.53779 -8.6638 -6.785 -9.574 0.7767 -0.1535 1.017 8.76872 -0.35532 4.3382205456 10.4248544674 0.348323936
+C      1.00279573     -0.06693829      0.55958166
+N      2.42657995      0.14420588      0.39269018
+C      2.94908430      1.38758514      0.13243501
+N      2.31702595      2.47868915     -0.13889961
+C      4.48157667      1.44405871      0.09012166
+C      5.17237996      0.40843078      0.84509715
+C      5.72025576     -0.47675053      1.47116016
+H      0.82678242     -1.12070795      0.80500827
+H      0.46152256      0.15683736     -0.37330329
+H      0.57720446      0.55693297      1.36543204
+H      3.06616698     -0.53361420      0.80244739
+H      1.29899493      2.33703238     -0.12465975
+H      4.77330445      2.44324725      0.44337053
+H      4.78603061      1.38811329     -0.96820849
+H      6.22866527     -1.23905194      2.02569709 
+
+15
+-1515.5703301712824 12.243018 12.8265 -8.6795 -6.8333 -9.217 0.7193 -0.9262 0.215 8.56306 0.32811 4.075667792 11.5426874462 0.204486977
+C      1.12222428     -0.26470364     -0.54941275
+N      2.27721868      0.15257825      0.25364004
+C      2.96609844      1.35079827     -0.01774219
+N      2.49052417      2.53513490     -0.20342430
+C      1.07118457      2.78364433     -0.02884591
+C      4.40107341      1.19499004     -0.03160707
+C      5.60063635      1.00053535     -0.02130282
+H      0.89245963     -1.30638193     -0.29399977
+H      1.31720754     -0.20554539     -1.63394357
+H      0.23356224      0.33577404     -0.32325824
+H      2.93313275     -0.61142839      0.40434545
+H      0.93017590      3.85596954      0.16543470
+H      0.63524548      2.21454965      0.81198570
+H      0.49288588      2.54494848     -0.93840389
+H      6.66302068      0.86513651     -0.01839538 
+
+14
+-1431.9532165885216 11.164021 12.08855 -9.1501 -7.1551 -9.733 0.8171 -0.2681 0.667 9.02899 -0.05719 4.7512799046 5.9215837586 0.219215418
+C      1.16101318     -0.21598998      0.11856952
+N      2.46435997      0.37163971      0.36579385
+C      2.81026759      1.36394697     -0.36208842
+N      4.06178269      1.94220691     -0.27636469
+C      4.93183105      1.54101461      0.82219848
+C      6.27432447      2.09271520      0.65651151
+N      7.34098773      2.54888220      0.54210577
+H      1.27831775     -1.26906565     -0.18166012
+H      0.57772211      0.30385337     -0.66702050
+H      0.57133686     -0.21367862      1.04847350
+H      2.17315534      1.82210743     -1.14179452
+H      4.14788997      2.90085289     -0.60170213
+H      4.98024987      0.44132478      0.83658317
+H      4.53765143      1.84423018      1.81011457 
+
+14
+-1410.2255256750898 12.237229 11.9682 -8.5261 -6.6774 -8.81 0.3341 -1.3039 -0.616 8.07303 1.04921 4.2633082044 4.2633082044 0.384008388
+C      1.01193013      0.00988842      0.00630682
+N      2.46092219     -0.13974928      0.01184913
+C      3.04183748     -1.47227625      0.04966816
+N      3.15859840      0.93463858     -0.31824390
+C      4.45016518      0.84801281     -0.52347558
+C      5.17151181      2.03046108     -0.83414190
+N      5.82979377      2.96386780     -1.09587709
+H      0.78808717      1.08021947      0.04685464
+H      0.57588907     -0.49005127      0.88270205
+H      0.56437570     -0.41628375     -0.90791208
+H      2.27001658     -2.18667146      0.35388180
+H      3.86710917     -1.51416902      0.77826910
+H      3.43375589     -1.76831177     -0.94016800
+H      5.03176748     -0.07825537     -0.46798316 
+
+14
+-1442.1969196217954 10.575569 11.39075 -9.1827 -7.2236 -9.904 0.7241 -0.3023 0.637 9.07961 -0.01125 4.995209961 5.9963597152 0.165270282
+C      1.23149952      0.19924294      0.93459539
+N      2.59448383      0.46643012      0.51517669
+C      3.01486145      1.73613580      0.20540820
+N      2.31583761      2.81361903      0.10792648
+C      4.50338606      1.86436246     -0.14774972
+C      5.35600424      0.82790428      0.41866906
+N      5.99472371     -0.03405463      0.87804927
+H      1.13683806     -0.86721388      1.16714059
+H      0.52151414      0.43430743      0.12678821
+H      0.94975322      0.77979769      1.82998249
+H      3.30708890     -0.21681479      0.75939434
+H      1.32505043      2.64365209      0.32033503
+H      4.84020058      2.85429137      0.18712439
+H      4.60447826      1.84189008     -1.24403043 
+
+14
+-1423.9946892838238 10.973217 11.60862 -9.3547 -7.4304 -9.892 0.3122 -1.4491 -0.506 9.18755 0.90822 4.2129698884 5.2769805446 0.152543457
+C      1.07187192     -0.29842471     -0.39275966
+N      2.29301707      0.10238763      0.31356769
+C      2.96984597      1.29269590      0.03242443
+N      2.53914889      2.48399457     -0.18442055
+C      1.12678414      2.79947086     -0.06504775
+C      4.41693013      1.12747859      0.03877122
+N      5.56880898      0.93657216      0.05672121
+H      0.84365821     -1.33170810     -0.10677052
+H      1.18920911     -0.25645001     -1.48812346
+H      0.21657699      0.32311858     -0.10573766
+H      2.93456835     -0.67250474      0.46930200
+H      1.02405192      3.88897346      0.02360002
+H      0.66206574      2.33128615      0.82013736
+H      0.55465258      2.49073965     -0.95611432 
+
+14
+-1443.992439574025 11.781923 11.86295 -8.0244 -6.146 -8.438 0.5265 -0.5636 0.16 7.80196 0.4006 4.474840719 4.474840719 0.316928185
+C      1.15001932     -0.39947873      0.25305306
+N      2.52275581     -0.19051356     -0.20566309
+C      3.13425316      1.04566792     -0.14445064
+N      2.29848627      2.13733356     -0.28680463
+C      4.49275764      1.17625957      0.06454280
+C      5.12088570      2.42681022     -0.06649994
+N      5.60025383      3.49498430     -0.18135264
+H      0.93971913     -1.47467305      0.21598569
+H      0.42718970      0.09133349     -0.41321194
+H      0.98115888     -0.03517672      1.28026277
+H      3.15868548     -0.95674697     -0.00409116
+H      1.54576423      2.03674328     -0.96400869
+H      2.79610386      3.02244853     -0.37601403
+H      5.09341700      0.31208816      0.34433243 
+
+13
+-1346.060609460786 11.859562 12.27413 -8.9801 -6.9841 -9.575 1.006 -0.8001 0.537 9.22207 0.06465 4.3549710542 10.7312734678 0.310875056
+C      1.83790949     -0.34433837     -0.65609596
+N      2.60490560      0.66101304     -0.84109747
+N      2.98597540      1.26297881      0.42102242
+C      4.29158559      1.93979115      0.25509385
+C      3.05046430      2.76219757      0.21567294
+C      2.62337197      3.58186200      1.30981498
+C      2.27188864      4.30252177      2.22185690
+H      1.48810344     -0.87692700     -1.54429575
+H      1.52896742     -0.67840447      0.34389547
+H      4.80464221      1.78098039     -0.69515245
+H      4.90220340      1.93914903      1.15814416
+H      2.73722856      3.08273734     -0.78178073
+H      1.96134398      4.92855873      3.03304165 
+
+12
+-1255.4469308765401 10.565554 11.05267 -9.6217 -7.615 -10.851 0.661 -1.2005 0.246 10.70937 0.34624 4.9038446776 7.046248366 0.617334301
+C      1.82855059     -0.36539088     -0.54627080
+N      2.53817331      0.67021873     -0.78253558
+N      2.98283244      1.28517811      0.45636875
+C      4.29019199      1.93662336      0.22888243
+C      3.05597281      2.76980807      0.22346115
+C      2.68840253      3.60029486      1.33808605
+N      2.40772174      4.29560154      2.23283415
+H      1.44356131     -0.91303606     -1.41020061
+H      1.60074073     -0.71089723      0.47097058
+H      4.75895463      1.76770799     -0.74207137
+H      4.93862299      1.94274354      1.10471980
+H      2.70024493      3.10406798     -0.75393453 
+
+15
+-1548.951473119907 11.532665 11.69571 -7.9956 -6.105 -8.043 0.8606 -0.0997 1.064 7.55079 -0.49429 4.8536551448 6.2533083016 0.484586817
+C      2.89520893     -1.08056620      0.52618709
+N      2.57544171     -0.06358702     -0.48643646
+N      3.26493916      1.14692300     -0.27355603
+C      2.62454260      2.31625292      0.07536424
+C      3.59056539      3.29723752      0.21427954
+C      4.85382544      2.69804029     -0.06353228
+C      4.62935694      1.36448207     -0.35867334
+H      2.34066478     -1.99299660      0.26808243
+H      2.54422817     -0.72801096      1.50499046
+H      3.96993403     -1.32420978      0.60350943
+H      2.83029882     -0.39994838     -1.41963589
+H      1.54528316      2.32970446      0.17898762
+H      3.40619112      4.33383005      0.47981476
+H      5.82318109      3.18835719     -0.05461957
+H      5.30954865      0.56039143     -0.62080199 
+
+13
+-1413.2972020071763 11.904275 11.20682 -8.3275 -6.4395 -8.132 0.3758 -1.2757 0.062 7.58181 0.51319 4.3857195822 4.7819664396 0.325804337
+C      2.83883975     -1.05368697      0.39405474
+N      2.26912204      0.08808993      0.24664005
+N      3.05060402      1.21397987      0.14870069
+C      2.44562612      2.45383828     -0.00599847
+C      3.43857662      3.40300223     -0.07715315
+C      4.69047843      2.71945127      0.03773557
+C      4.43252740      1.37203891      0.17610284
+H      2.17303072     -1.91461867      0.46618811
+H      3.92146980     -1.22043791      0.45157129
+H      1.36413257      2.51238878     -0.04707722
+H      3.28967421      4.47130841     -0.19827745
+H      5.67924343      3.16918926      0.02001887
+H      5.10834488      0.53367659      0.28815413 
+
+17
+-1674.2011383720478 12.191956 12.3718 -7.7717 -5.8839 -8.444 0.8653 -0.061 0.844 7.71003 -0.28467 4.6939363796 4.9847083468 0.309026493
+C      1.44416994     -0.12380973      0.53792536
+N      2.57829050      0.06712880     -0.06149140
+N      2.98623538      1.30555134     -0.35596860
+C      2.39754031      2.53112514      0.20104183
+C      3.49279330      3.59389878     -0.00220661
+C      4.41839198      2.99333701     -1.07850420
+C      4.38008257      1.49890381     -0.76385283
+H      1.16068099     -1.15977880      0.72226582
+H      0.75648809      0.67437495      0.84411945
+H      2.14821747      2.38482071      1.26939788
+H      1.45866153      2.77910814     -0.32508380
+H      3.08149136      4.57082337     -0.28892303
+H      4.05357765      3.73165225      0.93458662
+H      4.00709938      3.17428656     -2.08349672
+H      5.43426450      3.40811010     -1.04399942
+H      4.61021826      0.85434315     -1.62270130
+H      5.07907679      1.24450443      0.05735094 
+
+15
+-1531.504676869498 11.938659 11.78233 -7.8182 -5.9682 -8.317 1.5335 -0.112 0.825 7.69616 -0.26016 4.6990322042 4.9235336544 0.273452178
+C      3.18833656     -0.87985143      0.25334583
+N      2.62686121      0.26353056      0.49312812
+N      3.09023491      1.37542666     -0.08468501
+C      4.38581728      1.48818389     -0.76535984
+C      4.58348604      2.97613469     -0.82162215
+C      3.60600367      3.62508118     -0.17652130
+C      2.60634535      2.67107514      0.40663914
+H      2.74777229     -1.74963466      0.73963360
+H      4.04805487     -1.02478632     -0.41318676
+H      4.36277332      1.01561414     -1.76607378
+H      5.18363052      0.97431691     -0.18638401
+H      5.43282669      3.43615023     -1.32559397
+H      3.51995651      4.70513423     -0.06687892
+H      2.59340616      2.70216825      1.51242094
+H      1.57535463      2.86799652      0.06169811 
+
+17
+-1657.330598185905 12.320209 12.90638 -8.3104 -6.3425 -9.072 1.4408 -0.2398 0.689 8.47499 -0.1579 4.8023869338 5.3538518646 0.368395069
+C      1.90432957      0.04456436      2.40851855
+N      3.01690685     -0.08357121      1.77404314
+N      3.92479103      0.92673277      1.83124568
+C      4.87281637      0.97210191      0.72686256
+C      5.94189132      2.08674407      0.80495641
+C      6.97459598      1.06110280      0.25822127
+C      6.01459603     -0.07539592      0.70464768
+H      1.21533118     -0.79998494      2.39831068
+H      1.62855432      0.95562455      2.96670484
+H      3.54325107      1.84862431      2.08773145
+H      4.35473403      0.99492493     -0.24994654
+H      6.15496152      2.33934561      1.85476603
+H      5.76644626      3.00991271      0.23580179
+H      7.06227951      1.11856004     -0.83582775
+H      7.98217597      1.07850341      0.69243361
+H      5.89251406     -0.94772337      0.05082387
+H      6.23179496     -0.41318604      1.72773674 
+
+17
+-1655.3504152208857 12.37252 13.12276 -8.328 -6.3371 -9.099 1.5096 -0.1763 0.678 8.5228 -0.15704 4.8027960876 5.3710983172 0.38631698
+C      1.06950162      0.65788045     -0.65427076
+N      2.34690424      0.49454087     -0.67206373
+N      3.14884703      1.57210086     -0.47917262
+C      4.48704082      1.27628808      0.03118874
+C      5.36562365      2.49992565     -0.04356944
+C      5.32707104      3.52452271      1.07255517
+C      6.53421047      2.63297475      0.90123431
+H      0.44590187     -0.20808501     -0.87674051
+H      0.58528169      1.62656896     -0.44433595
+H      2.70299789      2.38508999     -0.03192968
+H      4.88912396      0.46200180     -0.59000852
+H      4.45773377      0.90569882      1.07628556
+H      5.50947533      2.89367245     -1.05270673
+H      4.67313387      3.32409565      1.92372699
+H      5.42124608      4.57864807      0.81111333
+H      7.45317643      3.07568200      0.51747460
+H      6.68574024      1.83926390      1.63451925 
+
+15
+-1522.5278324847902 12.899052 12.94644 -8.8478 -6.907 -9.345 0.5255 -1.1126 0.229 8.91406 0.45662 4.4424555758 5.5351317952 0.78785174
+C      4.40631492     -2.05377793     -0.60041361
+N      4.01016474     -0.84660485     -0.78410340
+N      4.98564132      0.09408805     -0.37707277
+C      4.57305371      1.30135226     -0.57068076
+C      5.40344704      2.45553189     -0.23158591
+C      5.31382010      3.70073446     -1.11115674
+C      4.72110551      3.72973729      0.26057766
+H      3.72290285     -2.85804536     -0.88364824
+H      5.39197006     -2.29201844     -0.17567893
+H      3.57439216      1.48220145     -1.00472802
+H      6.37809991      2.21452134      0.19379438
+H      4.63742327      3.65829268     -1.96558601
+H      6.24718247      4.23321922     -1.29262952
+H      5.23752588      4.28358170      1.04444535
+H      3.63496605      3.70815624      0.35486653 
+
+17
+-1650.7805932622437 12.037997 12.49868 -8.1027 -6.2191 -8.784 1.2886 -0.0938 0.747 8.08573 -0.17648 4.6666222638 5.1462001118 0.256257362
+C      1.09845259      0.32211036     -0.14879066
+N      2.52591716      0.05575638      0.01999404
+N      2.75413443     -1.18836050      0.54341733
+C      3.83719864     -1.43488650      1.20242924
+C      3.33763336      1.16706143      0.43937334
+C      4.67852677      1.37260673     -0.22979405
+C      3.53203519      2.30639007     -0.52901838
+H      0.95823690      1.14616803     -0.85965521
+H      0.60739127      0.58985492      0.80585966
+H      0.62789694     -0.58566475     -0.54251797
+H      3.96792068     -2.46450398      1.53845570
+H      4.62264922     -0.70166992      1.41975600
+H      3.27364253      1.42091199      1.50851741
+H      4.95044568      0.65444244     -1.00315665
+H      5.50476708      1.73587418      0.38218155
+H      3.55966539      3.31650693     -0.12050610
+H      3.05725618      2.21652221     -1.50618527 
+
+17
+-1659.0087530193498 12.926605 13.4898 -7.8658 -5.9334 -8.739 1.3446 -0.0159 0.835 8.23198 -0.21599 4.911643397 5.2929871372 0.23077963
+C      1.37868842     -0.25283877     -0.71914078
+N      2.79009944     -0.23032732     -0.35345945
+N      3.35292557      1.02036049     -0.41402360
+C      4.35841359      1.27886139      0.34809193
+C      5.06583769      2.56784498      0.26840190
+C      5.65314294      3.18452542      1.52881300
+C      6.57176761      2.61766449      0.48348083
+H      1.04352938     -1.29811927     -0.75062689
+H      1.26979969      0.17978868     -1.72185319
+H      0.73098272      0.31187516     -0.02322192
+H      2.98358079     -0.73026287      0.52518074
+H      4.73311705      0.53802040      1.08327316
+H      4.65126070      3.25465582     -0.47097433
+H      5.53353822      2.62883772      2.46035606
+H      5.58497951      4.26737080      1.63512660
+H      7.14373583      3.30534745     -0.13979379
+H      7.07628085      1.67534543      0.70222973 
+
+13
+-1363.9254811328492 12.422404 12.80469 -9.2404 -7.2333 -9.639 0.2961 -1.4231 0.073 9.30465 0.60534 4.3665141508 5.7185070892 0.793803934
+C      1.93140396     -1.00637365     -0.20116339
+N      2.97436847     -0.48091537      0.32942517
+N      3.13472112      0.87035698     -0.07716434
+C      4.21549453      1.37320298      0.39970966
+C      4.59278465      2.79249605      0.06906078
+C      4.94233598      3.56481326      1.25718044
+C      5.23137107      4.18744932      2.25732810
+H      1.70998623     -2.04757644      0.04584047
+H      1.27240754     -0.44882514     -0.88120387
+H      4.88368652      0.78491557      1.04627036
+H      3.76214745      3.26310007     -0.47841747
+H      5.46121518      2.77290317     -0.61510499
+H      5.48253730      4.74258321      3.13798909 
+
+15
+-1500.840790416574 12.519384 13.14495 -8.5441 -6.6087 -9.221 1.335 -0.4144 0.576 8.64001 -0.05149 4.369824577 10.622376564 0.695990401
+C      1.05340092      1.81846352     -1.20676865
+N      2.27552803      2.10259983     -0.92238839
+N      2.91325822      1.37910481      0.03596645
+C      4.37166647      1.39410254     -0.04477187
+C      4.92775305      2.78482989      0.31723425
+C      6.38090169      2.83336805      0.24696457
+C      7.59340161      2.83969851      0.18375217
+H      0.54617758      2.44466152     -1.94048555
+H      0.50124936      0.98624690     -0.73911486
+H      2.50866451      0.45591370      0.23475834
+H      4.73377978      1.10448130     -1.04708576
+H      4.74135474      0.65022803      0.67486332
+H      4.58700893      3.05419848      1.33008209
+H      4.49040360      3.52412915     -0.37186703
+H      8.66252151      2.86130379      0.12944093 
+
+17
+-1667.7508392122556 14.159216 13.41446 -7.5759 -5.8188 -8.219 0.7413 -0.8011 -0.093 7.67696 0.59989 4.4486052814 4.4486052814 0.431760972
+C      3.77546520     -1.48766988     -0.98926184
+N      4.84346810     -0.78687874     -0.29005366
+N      4.66691394      0.55133500     -0.17606639
+C      5.70341010      1.30096175      0.10881381
+C      7.08994419      0.73797660      0.27088017
+C      5.41501506      2.71730063      0.26928088
+C      6.29059956      3.70790166      0.53532253
+H      3.92587884     -2.56859577     -0.86867950
+H      3.73183418     -1.24660875     -2.06641794
+H      2.81752962     -1.21056065     -0.53187273
+H      5.78874994     -1.10914160     -0.52385038
+H      7.10871804     -0.02751704      1.06404225
+H      7.81920082      1.51187617      0.53171040
+H      7.44254496      0.25731136     -0.65850963
+H      4.35515656      2.95861326      0.14489740
+H      7.35986004      3.53488734      0.66795565
+H      5.94921083      4.73860866      0.62753898 
+
+15
+-1507.4152932887914 13.375086 13.18621 -7.8348 -6.0355 -8.34 0.7533 -0.8304 0.131 7.8315 0.41519 3.9837569702 11.0682178214 0.347053159
+C      1.38856300     -0.35594708     -0.95869112
+N      2.83169210     -0.24138864     -0.80380109
+N      3.29476268      1.01352970     -0.62419655
+C      4.50300239      1.16359258     -0.14289740
+C      5.39303657      0.01322084      0.26569642
+C      5.00042919      2.48904540     -0.01844087
+C      5.50319011      3.58938077      0.12786876
+H      1.15083760     -1.37112982     -1.30245147
+H      1.06174553      0.36223996     -1.72028382
+H      0.83660131     -0.15189877     -0.02439671
+H      3.27207782     -0.98862143     -0.25660313
+H      4.92858690     -0.59255668      1.06380455
+H      6.35366174      0.37962037      0.64184727
+H      5.58591617     -0.65480614     -0.59028160
+H      5.91994689      4.56879894      0.24069674 
+
+17
+-1668.1067446071556 14.969012 14.24235 -7.4935 -5.7062 -8.157 0.7735 -0.7524 -0.074 7.70014 0.62875 4.4490392324 4.4490392324 0.548848873
+C      2.16420265     -1.08236073     -0.05125574
+N      3.54777377     -0.64460826      0.06344990
+N      3.76879288      0.65423500     -0.26733939
+C      4.81500004      1.24366946      0.22846192
+C      5.15274678      2.59493888     -0.14609133
+C      6.22097121      3.26929758      0.33347038
+C      6.58764744      4.67046030     -0.03660896
+H      2.12918364     -2.17284214      0.07278294
+H      1.80096312     -0.83049123     -1.05565037
+H      1.49283857     -0.61367709      0.69150518
+H      4.02585532     -0.96817483      0.91501201
+H      5.47631940      0.72237131      0.94672170
+H      4.47743208      3.07227918     -0.86424179
+H      6.87983831      2.76194146      1.04880914
+H      5.87254094      5.10070653     -0.75175905
+H      7.59274397      4.71515843     -0.48854332
+H      6.61993988      5.32438617      0.85106677 
+
+19
+-1805.0343523637648 13.229328 13.95517 -8.0951 -6.1433 -8.842 1.3505 -0.0038 0.906 8.30526 -0.27545 4.9269680666 5.386509777 0.194671817
+C      2.25012648     -0.53734746     -1.36091205
+N      3.49766397     -0.30973392     -0.64265246
+N      3.98590150      0.96520975     -0.77024517
+C      4.72208251      1.44275756      0.17030468
+C      5.37702949      2.79071955      0.04903279
+C      4.92008214      3.72513543      1.18223917
+C      6.90966491      2.64979515      0.03434564
+H      2.01026767     -1.60812934     -1.31476578
+H      2.39628777     -0.25647195     -2.41172098
+H      1.39554139      0.03959297     -0.96120506
+H      3.47639726     -0.65379558      0.32696843
+H      4.91745633      0.86494610      1.09737996
+H      5.05040890      3.21156161     -0.91566418
+H      5.19416448      3.31437148      2.16740012
+H      3.83024254      3.86706313      1.16540688
+H      5.39696160      4.71231984      1.08979957
+H      7.27263076      2.19205777      0.96855529
+H      7.39096246      3.63449602     -0.06311026
+H      7.24076785      2.01956190     -0.80272661 
+
+17
+-1667.9892491039845 14.212828 13.52139 -7.6717 -5.8912 -8.358 0.649 -0.8914 -0.118 7.84 0.63033 4.537701621 4.537701621 0.489846961
+C      4.59321790     -1.68203173     -0.55439805
+N      4.58910245     -0.54355615      0.35241163
+N      4.91658986      0.64544454     -0.21039821
+C      4.51086217      1.73383476      0.36790710
+C      4.88926175      3.04595175     -0.13225962
+C      5.77830598      3.11199600     -1.34552339
+C      4.43819431      4.15726824      0.49408032
+H      4.46914814     -2.59971418      0.03554307
+H      5.56459444     -1.72003907     -1.06380964
+H      3.79699279     -1.63497015     -1.31943683
+H      3.79370875     -0.51785343      1.00412202
+H      3.86535449      1.69742503      1.26534103
+H      5.31934389      2.58368666     -2.19370252
+H      6.73749017      2.61012551     -1.15178056
+H      5.97105022      4.15292901     -1.63339108
+H      3.79732914      4.09165620      1.37560706
+H      4.70148355      5.15440699      0.14001769 
+
+15
+-1510.8668416405549 14.302853 14.43148 -7.7006 -5.8861 -8.259 0.7583 -0.8128 0.139 7.80808 0.4199 3.7409799836 10.6311919686 0.51083463
+C      1.16219023     -0.07466197     -1.03717809
+N      2.54006670     -0.05514956     -0.57044684
+N      3.17340243      1.13440290     -0.67061844
+C      4.19796282      1.34289651      0.10605921
+C      4.97554406      2.51886278      0.02111564
+C      5.69635280      3.50430388      0.02169756
+C      6.54158687      4.68509772     -0.00864691
+H      0.82621286     -1.11809106     -1.09749324
+H      1.12870384      0.36598641     -2.04101363
+H      0.47299114      0.48910959     -0.38323772
+H      2.71437858     -0.58639272      0.29294547
+H      4.49957670      0.59249648      0.85993971
+H      5.93902913      5.60313246     -0.08108348
+H      7.22542263      4.66620745     -0.87141959
+H      7.15424922      4.75738912      0.90225034 
+
+17
+-1659.578681479735 13.393426 13.74119 -8.1269 -6.2279 -8.858 1.2282 -0.4045 0.568 8.28904 -0.03549 4.8740880376 5.2611847282 0.271837655
+C      6.56392155     -0.26133758      1.03777438
+N      6.29073061      1.06631582      0.50331534
+N      5.03017556      1.21829151     -0.00278725
+C      4.51077941      2.39641694     -0.02761266
+C      3.16421821      2.63415026     -0.65244056
+C      2.15398504      3.13989351      0.34567428
+C      1.54169005      4.32778464      0.28333456
+H      7.63270184     -0.32776364      1.28046939
+H      6.33402856     -1.00357787      0.26326634
+H      5.97469354     -0.50455353      1.94085784
+H      6.59284440      1.82978069      1.12289742
+H      5.03225675      3.26748960      0.41198215
+H      2.82751787      1.67923259     -1.08642829
+H      3.25459897      3.36339261     -1.47657034
+H      1.93679940      2.46505942      1.18139699
+H      1.73792958      5.02669888     -0.53433442
+H      0.81968866      4.63932616      1.03950485 
+
+15
+-1502.6801203897892 12.660406 13.32422 -8.2901 -6.3814 -8.938 1.4194 -0.223 0.651 8.40398 -0.04606 4.3597941096 10.7769499102 0.657545873
+C      1.25583245     -0.33747336     -0.34637923
+N      2.70236209     -0.26200310     -0.51119555
+N      3.21479025      0.99814003     -0.40544509
+C      4.43786608      1.14413061     -0.03737868
+C      5.05774079      2.51918037     -0.02344976
+C      5.67231253      2.85027412      1.26033466
+C      6.18516938      3.10233786      2.33134055
+H      0.92903952     -1.35434430     -0.60077974
+H      0.78771730      0.36641028     -1.04572928
+H      0.91541362     -0.09442176      0.67635502
+H      3.21631391     -0.97612861      0.02162648
+H      5.07335647      0.29268063      0.26351148
+H      4.27520673      3.25148927     -0.27552441
+H      5.82897898      2.59174672     -0.81271468
+H      6.63150988      3.33256124      3.27699823 
+
+12
+-1273.6853531190036 11.207909 11.57597 -9.6622 -7.6372 -10.107 -0.0743 -1.8489 -0.267 9.73596 0.91884 4.4668188248 5.7526032392 0.71108969
+C      1.45916559     -0.46485820     -0.39163954
+N      2.67616642     -0.27698172     -0.03197835
+N      3.05166905      1.08346969     -0.18919502
+C      4.25868510      1.27921788      0.19748864
+C      4.85265385      2.65864770      0.07569397
+C      5.47070456      3.11161241      1.32101936
+N      5.96516235      3.46568324      2.31572608
+H      1.06127159     -1.47916695     -0.30974077
+H      0.82342868      0.34834168     -0.76825072
+H      4.87708588      0.46575745      0.60368496
+H      4.07116956      3.36667198     -0.23495773
+H      5.63175738      2.65367485     -0.70658088 
+
+12
+-1278.5692924790908 12.791062 11.80276 -8.4156 -6.6195 -8.59 -0.0412 -1.6953 -0.272 7.94859 0.77031 4.3791731214 4.3791731214 0.566206754
+C      0.83180532      1.83801442     -0.02202984
+N      2.09932146      2.05736056     -0.02356262
+N      2.92333331      0.99065713      0.08983268
+C      4.29040154      1.13228673      0.09439354
+C      4.96871435      2.30437321     -0.00838528
+C      6.38125054      2.33415899      0.00699579
+N      7.55282355      2.38609619      0.01655417
+H      0.17542176      2.70251233     -0.11337077
+H      0.38848767      0.83325310      0.06603287
+H      2.52611820      0.04999058      0.17276871
+H      4.81960488      0.18407024      0.19186287
+H      4.43428744      3.24920653     -0.10548213 
+
+14
+-1412.151936839978 11.294211 11.90253 -9.0267 -7.0085 -9.536 1.0273 -0.7264 0.353 8.96291 0.17212 4.8125909816 5.4578389228 0.392385284
+C      1.20889938      1.37755776     -1.57394936
+N      2.40769383      1.70596147     -1.24585799
+N      2.89089121      1.30624653     -0.03562835
+C      4.34596172      1.25108258      0.04906228
+C      4.93368894      2.67452066     -0.01416422
+C      6.38859255      2.67051837      0.07106079
+N      7.55202989      2.64456452      0.15203443
+H      0.82439079      1.75209400     -2.52238153
+H      0.55790724      0.75127903     -0.94211968
+H      2.41520176      0.49893086      0.38542541
+H      4.78993213      0.63534761     -0.75293409
+H      4.59867096      0.78670122      1.01198172
+H      4.52423953      3.28309416      0.80635460
+H      4.62573007      3.14707126     -0.95867402 
+
+14
+-1417.480811975249 11.947313 11.94842 -8.5616 -6.7633 -8.988 0.3451 -1.3514 -0.584 8.41465 1.01506 4.4340741222 4.4340741222 0.264626311
+C      1.40129560     -0.44392357     -0.84252731
+N      2.83531150     -0.26210411     -0.67604678
+N      3.26866367      0.98962349     -0.51591712
+C      4.48913075      1.18058919     -0.08323576
+C      5.45373898      0.08559896      0.29287700
+C      4.91817115      2.53749812      0.01592743
+N      5.34337038      3.62291638      0.13175794
+H      1.21736020     -1.44083552     -1.26227957
+H      1.03643317      0.31287339     -1.54675140
+H      0.84774376     -0.34196195      0.10613439
+H      3.34722287     -1.02322925     -0.21936267
+H      5.04875334     -0.54355535      1.10408290
+H      6.40420806      0.50399295      0.63994973
+H      5.66147656     -0.56811272     -0.57021879 
+
+14
+-1413.7523776851206 11.507485 12.11653 -8.7306 -6.7483 -9.192 1.0271 -0.6524 0.221 8.62814 0.3148 4.8009486962 5.1535276844 0.211127421
+C      2.73591691     -1.35892207      1.04311401
+N      3.50376411     -0.52537991      0.12687489
+N      3.43603348      0.80642870      0.36885537
+C      4.38141900      1.57296124     -0.04887144
+C      4.24381336      3.06445371      0.12379033
+C      5.37188114      3.65001371      0.85099219
+N      6.28396197      4.10143623      1.42097426
+H      2.71204493     -2.38214009      0.64685299
+H      1.70948062     -0.97498921      1.08662858
+H      3.14930261     -1.37802354      2.06681877
+H      4.44110146     -0.88495479     -0.09255519
+H      5.28895663      1.19060434     -0.54511827
+H      3.31159185      3.27289171      0.66878834
+H      4.17594194      3.57257997     -0.85417482 
+
+14
+-1520.252210078526 10.540445 11.03245 -8.4324 -6.2809 -7.831 0.865 -0.7432 0.758 7.57012 -0.41511 4.1273575554 5.9791256612 0.215999828
+N     -0.08647507      0.02629054     -1.35761628
+C      0.02374555     -1.08082507     -0.35146750
+C      1.27936275     -0.64853695      0.45627877
+C      1.24526409      0.69035867      0.48535786
+C     -0.03167736      1.09281620     -0.30421050
+C     -1.23987877      0.62441532      0.53700812
+C     -1.20579317     -0.71159742      0.50796373
+H      0.80608586      0.06016659     -1.86956037
+H      0.03432514     -2.08725211     -0.78507766
+H      1.96984643     -1.32419700      0.95754122
+H      1.90100350      1.37784919      1.01630066
+H     -0.07289503      2.11636760     -0.69364647
+H     -1.92139935      1.28553530      1.06633616
+H     -1.85213457     -1.42903087      1.00725225 
+
+14
+-1534.540422009414 11.362163 11.34069 -8.3413 -6.3465 -8.178 0.4121 -1.0708 0.364 7.74945 0.19908 4.5088996732 11.2441911512 0.498498049
+N     -1.26392449      0.81857989      0.63168449
+C     -1.12683496     -0.39855099     -0.20383104
+C     -0.21316997     -1.44325219      0.26812669
+C      1.09132977     -1.16627098      0.52689373
+C      1.68955505      0.09254572      0.13429939
+C      0.97144423      1.04945420     -0.50921384
+C     -0.48648107      0.94887776     -0.62408530
+H     -2.19695317      1.20798950      0.45852202
+H     -2.01733632     -0.72448653     -0.74925525
+H     -0.59562589     -2.46188336      0.35999181
+H      1.74620497     -1.95134422      0.91028476
+H      2.77073299      0.20446666      0.23782903
+H      1.47196372      1.88845998     -0.99694107
+H     -0.96102486      1.49813457     -1.44252542 
+
+16
+-1655.1559887717076 11.39166 12.1082 -8.7616 -6.6057 -8.379 1.5359 -0.0184 1.301 7.93109 -0.6261 5.2892675572 11.9373844786 0.188089171
+N      0.83426533     -0.33240216     -0.67095812
+C      2.03469295     -0.23946435      0.13130301
+C      2.56624290     -1.49055980      0.91612246
+C      3.89201825     -0.65448974      0.88865917
+C      3.44854700     -0.21913749     -0.55055579
+C      3.46497733      0.57787776      1.69987296
+C      2.24639689      0.85666901      1.20879365
+H      0.01628459     -0.44748838     -0.06579913
+H      0.69120043      0.53837595     -1.19037741
+H      2.60202141     -2.39149455      0.28576079
+H      2.12159671     -1.69768740      1.90008268
+H      4.87063246     -1.10473935      1.08711507
+H      3.81865796      0.74762353     -0.92091941
+H      3.55765324     -1.01416966     -1.30311272
+H      4.04193924      1.07545381      2.47745712
+H      1.54076333      1.64510281      1.46725568 
+
+18
+-1814.1826708921647 11.614569 12.6266 -8.9568 -6.8171 -10.1 0.9129 -0.0117 3.058 9.61713 -2.72584 8.0739435228 11.473292482 0.14302681
+N      1.51291848     -0.43144430     -0.47882879
+C      2.79438709      0.01165348      0.02343709
+C      3.65134987     -1.03955361      0.68593483
+C      4.07026136     -0.47021841     -0.65432988
+C      5.09136349      0.66651330     -0.64699188
+C      4.26652054      1.94269162     -0.35034308
+C      3.04751497      1.46818337      0.47263431
+H      1.17827543      0.20218496     -1.21041374
+H      0.81333073     -0.41701997      0.26873119
+H      3.25512998     -2.05572438      0.68804799
+H      4.23186056     -0.75797221      1.56823240
+H      3.99321886     -1.12769652     -1.52138637
+H      5.85904813      0.50283582      0.12771559
+H      5.62072156      0.74066422     -1.60799308
+H      4.85195918      2.72668646      0.15294658
+H      3.91061735      2.36590705     -1.30370554
+H      3.24999513      1.52048621      1.55586298
+H      2.15845731      2.08780293      0.28316941 
+
+16
+-1674.8879684970336 11.438948 12.06093 -8.5963 -6.4665 -8.755 0.951 -0.0282 1.355 8.29838 -0.7231 5.8169767704 5.8169767704 0.234432822
+N      1.62253842      0.56836790      0.97838210
+C      2.69626678      0.03283656      0.17744304
+C      3.42824394      1.01649698     -0.69911647
+C      4.14481386      0.41110127      0.50186050
+C      4.95083639     -0.80599910      0.21497497
+C      4.18689653     -1.81559145     -0.24072006
+C      2.72353617     -1.44069548     -0.26917266
+H      0.76040781      0.62736165      0.42944103
+H      1.43049108     -0.04559938      1.77483150
+H      3.11075144      2.05511276     -0.59978467
+H      3.75638382      0.70408968     -1.69254849
+H      4.37735548      1.06612206      1.34261491
+H      6.03403938     -0.84599245      0.34092995
+H      4.55693825     -2.79272916     -0.55419614
+H      2.26980957     -1.57856709     -1.26562982
+H      2.13684107     -2.06805475      0.42855030 
+
+18
+-1813.3614928751613 11.599612 12.587 -8.8354 -6.7461 -10.172 0.916 -0.018 2.995 9.56381 -2.72804 8.0651529154 10.9468727232 0.09709144
+N      1.03014529     -0.09150808     -0.11970251
+C      2.46221034      0.02611138      0.00482297
+C      3.39913641     -0.56415308     -1.08977302
+C      4.48534740     -0.35802649      0.00491318
+C      3.38484059     -0.72945204      1.03521357
+C      4.52751443      1.17959165      0.12468165
+C      2.99422876      1.46890260      0.12388611
+H      0.55861977      0.38394957      0.65407030
+H      0.74286327     -1.07245010     -0.09012728
+H      3.49216597     -0.01420107     -2.03890239
+H      3.19337399     -1.62814422     -1.27761671
+H      5.44225050     -0.89216420     -0.03227870
+H      3.17344354     -1.80846742      1.05525367
+H      3.46895011     -0.32918319      2.05836084
+H      5.02241653      1.51008769      1.04988450
+H      5.04555833      1.64854812     -0.72473530
+H      2.66689451      2.08438707     -0.72661196
+H      2.65063026      1.95374180      1.05154109 
+
+17
+-1682.4516161865922 11.163831 11.94624 -8.564 -6.4823 -9.729 0.8834 -0.0525 3.039 9.08385 -2.69882 7.888547257 10.7872407482 0.188773945
+N      1.46877961     -0.43302209     -0.41739849
+C      2.76368387      0.01372113      0.03831666
+C      3.65952317     -1.03834258      0.65114249
+C      4.01172632     -0.44334961     -0.70050431
+N      4.97587754      0.64232269     -0.75812509
+C      4.24235586      1.88220931     -0.41362882
+C      3.04062817      1.47009181      0.46882137
+H      1.09799082      0.20601666     -1.12605883
+H      0.80077003     -0.44204192      0.35779450
+H      3.27620841     -2.06003557      0.65356004
+H      4.27477927     -0.75989629      1.51003006
+H      3.90786611     -1.07783273     -1.58383304
+H      5.72920489      0.48336053     -0.08601709
+H      4.91817006      2.60834030      0.06105721
+H      3.87112153      2.34214364     -1.34615517
+H      3.28031117      1.53802917      1.54308355
+H      2.15618318      2.09975554      0.28700496 
+
+17
+-1672.3967431767408 11.040803 11.90783 -8.6249 -6.5793 -10.165 0.823 -0.14 2.949 9.64189 -2.64689 7.9654929686 12.1898447718 0.080393515
+N      0.99389745     -0.08404250     -0.11146876
+C      2.42401316      0.03772681      0.00740186
+C      3.38373787     -0.54675144     -1.06267322
+N      4.47931848     -0.39610203     -0.01672228
+C      3.38724099     -0.71580006      0.98998666
+C      4.49056516      1.10252077      0.10635180
+C      2.97395887      1.47003321      0.12852972
+H      0.51331791      0.42644531      0.63250499
+H      0.70079476     -1.06164313     -0.05287776
+H      3.54271545      0.00948420     -1.99909519
+H      3.21370976     -1.61324185     -1.26925147
+H      3.21528291     -1.80144759      1.02125258
+H      3.55471103     -0.31781906      2.00349184
+H      5.02293057      1.38546442      1.02510789
+H      5.02720127      1.53108496     -0.75131099
+H      2.65802134      2.09847196     -0.71650770
+H      2.65768303      1.95679603      1.06445004 
+
+17
+-1681.9363279503043 11.179237 12.01733 -8.4741 -6.2954 -9.754 0.9261 0.0025 3.174 9.23602 -2.99389 7.818371181 11.666028719 0.21913296
+N      1.52405125     -0.35201209     -0.48995023
+C      2.80693035      0.04088912      0.04150885
+C      3.65567211     -1.04510329      0.65552022
+C      4.07883872     -0.41313339     -0.65357160
+C      5.07243966      0.73560391     -0.59456832
+N      4.24702937      1.91978353     -0.26378350
+C      3.09076676      1.46979248      0.53616723
+H      1.21318661      0.31935329     -1.19769646
+H      0.81650839     -0.35954928      0.24975840
+H      3.25598596     -2.05828762      0.60439666
+H      4.23327780     -0.80925337      1.55283784
+H      3.99989137     -1.01458729     -1.55911509
+H      5.86494829      0.53073388      0.15495535
+H      5.56972996      0.88536780     -1.56628763
+H      4.79201265      2.63231873      0.22507604
+H      3.27629526      1.47683779      1.63146477
+H      2.22036550      2.11866580      0.34465749 
+
+17
+-1679.1750848108616 11.100192 11.93952 -8.5045 -6.388 -10.066 0.836 -0.104 2.93 9.64808 -2.67012 7.970254031 11.029546588 0.068464137
+N      1.02290929     -0.06960443     -0.11238301
+C      2.45482625      0.01619359      0.01529587
+C      3.39271510     -0.57254661     -1.08236986
+C      4.46075620     -0.33339672      0.01369514
+C      3.37705825     -0.74375151      1.04788585
+N      4.49485200      1.15437951      0.06272036
+C      3.02391833      1.44445117      0.12001277
+H      0.55717368      0.37028496      0.68542667
+H      0.71969880     -1.04556125     -0.13839531
+H      3.49664498     -0.01908263     -2.02574903
+H      3.20413912     -1.63996315     -1.26019576
+H      5.45484319     -0.79277425     -0.02831784
+H      3.16988675     -1.82351515      1.06273192
+H      3.46244567     -0.34438968      2.07143175
+H      4.93457806      1.44846286      0.93926249
+H      2.70313579      2.07017533     -0.72768021
+H      2.72335853      1.94146797      1.05795821 
+
+16
+-1652.0917036025558 11.251313 12.01784 -8.5395 -6.3717 -8.242 0.9023 -0.0216 1.446 7.78728 -0.77872 5.3020629124 11.4406469682 0.33355485
+N      0.99650166     -0.31615280     -0.27110416
+C      2.28815900      0.23575094      0.10828607
+C      3.60149306     -0.45514157     -0.41604496
+C      4.26992303      0.94324386     -0.17470900
+C      2.88379576      1.43929586     -0.71580843
+C      2.92029552      0.84829865     -2.13130904
+C      3.39050659     -0.39386664     -1.93522516
+H      0.25079007      0.31258192      0.03882813
+H      0.84314642     -1.19939133      0.22281112
+H      2.38868286      0.44576752      1.19227970
+H      3.99187083     -1.37875965      0.03042895
+H      4.44357346      1.17687078      0.88710543
+H      5.14845635      1.17883851     -0.78885240
+H      2.53327204      2.47015249     -0.57776728
+H      2.60099650      1.33907190     -3.04745394
+H      3.56262686     -1.19763044     -2.64691501 
+
+18
+-1808.7616613853884 11.464847 12.51895 -9.1289 -6.9014 -10.376 0.9152 -0.0076 3.094 9.73733 -2.84703 8.4749266454 11.4599887842 0.114927084
+N      1.06395522     -0.02681148      0.00258148
+C      2.52491820     -0.01649596     -0.02065782
+C      3.12869313      1.03666402     -1.00693040
+C      2.78196382      0.03409882     -2.14647854
+C      3.14080408     -1.01551260     -1.05390714
+C      4.64617344     -0.76915393     -0.84809704
+C      4.63695580      0.79877290     -0.81232617
+H      0.72091275      0.77074425      0.54333186
+H      0.73178838     -0.86460832      0.48661234
+H      2.99530215     -0.03659831      0.98462397
+H      2.77336471      2.07620484     -1.01655252
+H      3.40060991      0.05849199     -3.05627432
+H      1.71406648      0.03346768     -2.38531617
+H      2.79791819     -2.05776895     -1.11106009
+H      5.01858308     -1.20804453      0.08981037
+H      5.24825970     -1.17127158     -1.67559338
+H      5.23393256      1.24511723     -1.62066176
+H      5.00481841      1.19888391      0.14454533 
+
+17
+-1674.427991053149 11.026699 11.91033 -8.6418 -6.5445 -10.286 0.9153 -0.0203 3.143 9.52644 -2.85241 8.3169064884 12.6489401326 0.088036925
+N      1.06419881     -0.03130381      0.04281399
+C      2.51614652     -0.01982425     -0.01570801
+C      3.13352294     -0.98732816     -1.07324648
+C      4.64697724     -0.76883055     -0.84025694
+C      4.63619903      0.79699044     -0.80275321
+C      3.11984516      1.00561676     -1.02563879
+N      2.75775463      0.03193510     -2.11080117
+H      0.73055612      0.77096311      0.58206458
+H      0.74175374     -0.86616471      0.53731513
+H      3.02476383     -0.03982320      0.96898954
+H      2.76550196     -2.01359763     -1.20915155
+H      5.00885397     -1.21705428      0.09781588
+H      5.24812906     -1.17619605     -1.66581252
+H      5.23159344      1.25167348     -1.60751048
+H      4.99200762      1.20473576      0.15588955
+H      2.73763119      2.03201015     -1.11257476
+H      3.42965475      0.05514787     -2.89052476 
+
+18
+-1812.7697949717185 11.476315 12.50054 -9.0797 -6.8891 -10.195 0.8837 -0.0495 3.236 9.73423 -3.03855 8.4022956466 12.1964036312 0.144370788
+N      0.79852945     -0.01107047     -0.16471711
+C      2.20440305      0.02134943      0.16770906
+C      3.17202224     -0.85323551     -0.60915168
+C      2.68444712     -1.49252681     -1.91094804
+C      2.82400796     -0.38785116     -2.98540872
+C      2.70206969      0.95415995     -2.22501985
+C      3.18294861      0.65748497     -0.80313462
+H      0.34445650      0.85826780      0.12496801
+H      0.33229009     -0.77166207      0.33525813
+H      2.47554751      0.15506919      1.22439637
+H      3.96156062     -1.34871505     -0.04157846
+H      3.28316401     -2.38138481     -2.15659202
+H      1.63471556     -1.81143877     -1.82188795
+H      3.82448665     -0.45391682     -3.44382979
+H      2.08505542     -0.48651366     -3.79529137
+H      3.31285426      1.74360671     -2.68607205
+H      1.65713339      1.30008865     -2.22132590
+H      3.98044786      1.26901845     -0.37767401 
+
+16
+-1671.8793322979557 11.303934 11.94261 -8.5382 -6.3808 -8.66 0.9018 -0.0624 1.482 8.20397 -0.8535 5.8599131222 11.9904752838 0.256902224
+N      1.09826814      0.04133074     -0.64537698
+C      2.22795612      0.00073032      0.24946632
+C      3.48711981      0.75859989     -0.11035647
+C      3.67141965      1.21393094     -1.56001373
+C      3.75561900     -0.07261088     -2.34771182
+C      3.67712155     -1.15149724     -1.55273052
+C      3.49164472     -0.77459573     -0.12429269
+H      0.49956860      0.83865135     -0.41961149
+H      0.52963692     -0.80274360     -0.55100859
+H      2.02929293     -0.02217119      1.33062995
+H      3.99068633      1.31080118      0.68403035
+H      4.58333813      1.82495165     -1.67278913
+H      2.82648940      1.83305418     -1.90864046
+H      3.82119465     -0.09594733     -3.43662997
+H      3.70310872     -2.18778381     -1.89286310
+H      3.96567534     -1.36223047      0.66472834 
+
+17
+-1679.6131935779279 11.046572 11.85604 -8.0664 -5.9632 -9.47 0.8674 -0.0788 3.263 8.99014 -2.95682 7.6352066632 12.147838315 0.146326027
+N      0.82166728     -0.17157732     -0.00923195
+C      2.24622802     -0.12452001      0.24480912
+C      3.20886800     -0.93434471     -0.61249508
+C      2.69477870     -1.47286111     -1.94892644
+C      2.81103754     -0.26734275     -2.90114982
+N      2.56568693      0.89145891     -2.00983440
+C      3.18914195      0.58107249     -0.72294788
+H      0.66762620      0.30756994     -0.90863513
+H      0.34625985      0.39566136      0.69613050
+H      2.50351935     -0.07987269      1.30543904
+H      4.03451539     -1.44644201     -0.11721874
+H      3.29291105     -2.32482324     -2.29790132
+H      1.64873858     -1.80653958     -1.85531727
+H      3.82404080     -0.24405160     -3.35229571
+H      2.07113748     -0.28851903     -3.71602803
+H      2.92087722      1.76466874     -2.39655187
+H      4.01380566      1.21077259     -0.37760501 
+
+17
+-1674.8561545203981 10.991503 11.86605 -8.5041 -6.3819 -10.029 0.8281 -0.1134 3.033 9.41192 -2.78692 8.1499345422 12.2603928058 0.07993745
+N      1.05430865     -0.02620510      0.00492848
+C      2.51235467     -0.01420493     -0.00957118
+C      3.12160796      1.04136184     -0.99477268
+C      2.78052446      0.03761717     -2.13961672
+C      3.16868066     -0.98803234     -1.04784742
+N      4.62478015     -0.73639112     -0.90392828
+C      4.61991238      0.77175155     -0.81013617
+H      0.69981740      0.78261669      0.52151752
+H      0.71571980     -0.85509199      0.49934755
+H      2.98594499     -0.04029502      0.99572418
+H      2.78561681      2.08695564     -1.00430877
+H      3.40249686      0.05585092     -3.04494582
+H      1.71090410      0.02045606     -2.36644691
+H      2.91223178     -2.05415483     -1.10953937
+H      4.94474524     -1.12319408     -0.01075678
+H      5.23332227      1.21472342     -1.61060290
+H      5.00027183      1.13011612      0.16005525 
+
+17
+-1679.6120281828962 10.971897 11.85152 -8.431 -6.2973 -9.773 0.8302 -0.1187 3.282 9.26104 -3.09563 8.0918966956 10.8233454714 0.206220248
+N      0.80524951      0.00246523     -0.07062033
+C      2.22469461      0.02402057      0.19613806
+C      3.14555492     -0.85002075     -0.63606088
+C      2.60463723     -1.42974437     -1.95254250
+N      2.70997578     -0.36981401     -2.98675512
+C      2.62304294      0.90993184     -2.23923661
+C      3.15732915      0.65693058     -0.82071962
+H      0.36933492      0.87290801      0.24199426
+H      0.35649583     -0.75970770      0.44234764
+H      2.54634637      0.14946875      1.24008970
+H      3.96374548     -1.36181733     -0.12674290
+H      3.16980081     -2.31916401     -2.26406425
+H      1.54727400     -1.71641441     -1.84666233
+H      3.65911227     -0.42409134     -3.36884999
+H      3.20131588      1.68897606     -2.75519649
+H      1.57044700      1.23005058     -2.20781949
+H      3.98425329      1.26392229     -0.44851915 
+
+15
+-1516.5653790373524 10.764824 11.34753 -8.7871 -6.661 -8.535 0.8093 -0.1557 1.381 8.05607 -0.72438 5.5141657626 11.3706196754 0.265454882
+N      0.94561266     -0.34259151     -0.26858101
+C      2.27643401      0.10003835      0.11984400
+C      3.54089988     -0.69610878     -0.35481888
+N      4.34726463      0.59827832     -0.20311962
+C      3.03468048      1.19074522     -0.72562126
+C      3.02268188      0.57225237     -2.12569125
+C      3.36281772     -0.70046449     -1.87721021
+H      0.24417122      0.31085974      0.08978862
+H      0.73998478     -1.24559034      0.16719281
+H      2.37869787      0.34100916      1.19853873
+H      3.90785870     -1.59804390      0.15124485
+H      4.37953478      0.80556269      0.80998357
+H      2.86876228      2.26844143     -0.60534949
+H      2.78594387      1.07414032     -3.05947782
+H      3.49163523     -1.54560857     -2.54745303 
+
+18
+-1793.7749338253723 11.788838 13.3288 -9.1348 -6.9062 -10.28 0.956 0.0459 3.157 9.78491 -2.73681 8.4910200282 10.8758163466 0.293509635
+N      1.16639304     -0.14855089      0.07164970
+C      2.59980216     -0.11532068     -0.13473771
+C      3.10713586     -0.45180241     -1.51731523
+C      3.15457519      0.97790577     -1.02059270
+C      4.43261395      1.68852141     -0.68357008
+C      5.76829631      0.98488536     -0.60949547
+C      5.48397078      1.94353732     -1.74235985
+H      0.90809813      0.44839193      0.86194838
+H      0.86444585     -1.09742611      0.30850719
+H      3.26122802     -0.41858717      0.68871606
+H      2.35334349     -0.68389187     -2.27007262
+H      4.03425427     -1.02074549     -1.59624151
+H      2.38082266      1.62002189     -1.45215622
+H      4.30320025      2.49890149      0.04102172
+H      5.81368822     -0.07835697     -0.84914865
+H      6.46342337      1.29731823      0.17038018
+H      5.99373702      2.90757899     -1.74948019
+H      5.30612145      1.51157919     -2.72846300 
+
+18
+-1792.9354234350947 11.805146 13.12614 -8.7548 -6.6419 -9.905 0.9293 0.0038 3.054 9.48044 -2.63416 7.8110064126 12.4134659214 0.213612764
+N      0.78518279      0.15214487     -0.44559685
+C      2.18466715      0.09309958     -0.05580019
+C      3.10926177     -0.75449195     -0.89205264
+C      3.25667180      0.75655581     -0.90836893
+C      2.40534866      0.08253507      1.43867389
+C      1.43384739      0.75177989      2.38385871
+C      1.53681306     -0.75661879      2.34405447
+H      0.64048001     -0.29746713     -1.34962124
+H      0.47810283      1.12348873     -0.53647634
+H      2.70014784     -1.23573684     -1.78293233
+H      3.86768026     -1.34301092     -0.37365938
+H      4.12336989      1.19393781     -0.40903785
+H      2.93005069      1.28452248     -1.80577024
+H      3.45907850      0.15423956      1.72115537
+H      0.52921787      1.18547512      1.95635164
+H      1.83846270      1.28445360      3.24500126
+H      2.00921349     -1.27174920      3.18096105
+H      0.71017328     -1.28429770      1.86729959 
+
+17
+-1662.4319287570418 11.310364 12.66061 -9.228 -6.9916 -10.427 0.8822 -0.0467 3.052 9.86002 -2.64527 8.5228100386 11.1854713816 0.242490365
+N      1.16498315     -0.13505318      0.08474024
+C      2.59961362     -0.12152550     -0.11158022
+C      3.11944263     -0.56543738     -1.45661019
+C      3.16360404      0.89668177     -1.08139764
+C      4.43866625      1.61926714     -0.77733597
+C      5.76591485      0.95942417     -0.63086934
+N      5.45283936      1.72368079     -1.85737893
+H      0.90248225      0.50384610      0.83956839
+H      0.85560994     -1.06873573      0.36710957
+H      3.25188469     -0.35594771      0.74150440
+H      2.37428041     -0.85252762     -2.19836641
+H      4.05091305     -1.13035553     -1.49136578
+H      2.40208981      1.51125024     -1.56936796
+H      4.29956431      2.51463915     -0.15898214
+H      5.86568980     -0.11770707     -0.78499024
+H      6.46346995      1.38014548      0.09846723
+H      5.90575189      2.64225489     -1.81311503 
+
+17
+-1664.8676598623576 11.286004 12.42575 -9.0291 -6.887 -10.218 0.8735 -0.0786 2.896 9.68771 -2.48101 8.0196252562 10.8317641208 0.306759586
+N      0.90000105      0.03793085     -0.70120295
+C      2.23392974      0.03655858     -0.14025611
+C      3.26133054     -0.78710042     -0.89128530
+C      3.29888206      0.72448551     -0.96028776
+C      2.37374209      0.08090591      1.36306875
+C      1.43825856      0.82697771      2.24878917
+N      1.33895173     -0.64704166      2.13211887
+H      0.46190476      0.95306539     -0.56200221
+H      0.33316364     -0.64165664     -0.18277398
+H      2.90135287     -1.32072335     -1.77015415
+H      4.03611986     -1.29559190     -0.31522453
+H      4.09718706      1.24836909     -0.43198729
+H      2.97097775      1.19219166     -1.88873549
+H      3.40731174      0.00637695      1.72163902
+H      0.59228587      1.36853532      1.81718400
+H      1.84094945      1.26124142      3.16748856
+H      1.75721124     -1.09505442      2.95223138 
+
+18
+-1795.8590585928455 12.45337 13.66067 -9.1768 -6.9486 -9.525 0.9931 0.0684 1.343 8.98395 -0.76553 6.6677315066 6.6677315066 0.450799284
+N      0.83592983     -0.34978917      0.07396182
+C      2.19657282     -0.45185511     -0.40986931
+C      2.46725900      0.04219199     -1.81357781
+C      2.95875035      0.83291186     -0.62079304
+C      4.44244469      0.91181276     -0.29925272
+C      4.70821490      1.20603801      1.15074023
+C      5.41924772      0.43180975      1.97844869
+H      0.82581547     -0.33152692      1.09708186
+H      0.29430320     -1.16900335     -0.21342555
+H      2.80853181     -1.30522049     -0.08390630
+H      1.61506825      0.44181966     -2.36386703
+H      3.20326408     -0.49609546     -2.41337848
+H      2.38085626      1.73424186     -0.39809547
+H      4.89666276      1.70430970     -0.92211080
+H      4.93842236     -0.03107155     -0.58354593
+H      4.26478587      2.13084468      1.53971387
+H      5.87860857     -0.49860491      1.63360596
+H      5.57247206      0.70146670      3.02460000 
+
+16
+-1639.5621829367767 12.016616 13.5316 -9.302 -7.0776 -9.753 0.8642 -0.0784 2.331 9.36699 -1.92338 4.3689318778 10.8120379482 0.330230042
+N      1.06496248     -0.15049791      0.05381661
+C      2.50780297     -0.06420794     -0.00760450
+C      3.17851534     -0.62958769     -1.23907981
+C      3.10335467      0.86517309     -1.03902681
+C      4.35737365      1.66344832     -0.70973758
+C      5.14443919      2.01791139     -1.88801378
+C      5.78688392      2.30916755     -2.87611534
+H      0.68940424      0.55166956      0.69599383
+H      0.77835906     -1.06537006      0.41103066
+H      3.08170838     -0.15771461      0.92614134
+H      2.52503372     -1.06474812     -1.99503840
+H      4.14780211     -1.11615870     -1.12005671
+H      2.37396104      1.38490989     -1.66348956
+H      4.99175545      1.08404465     -0.01700527
+H      4.08102468      2.58742575     -0.17199937
+H      6.35567909      2.56550483     -3.74618532 
+
+17
+-1657.2709728516202 11.547617 12.79557 -8.9322 -6.7999 -10.17 0.991 0.0777 3.567 9.76723 -3.28493 8.4986947616 12.0161899802 0.29220908
+N      1.11268549      0.28849149     -0.43500662
+C      2.49318642      0.02896984     -0.08620367
+C      3.17824625     -1.11915651     -0.79498556
+C      3.53693009      0.30567122     -1.14200491
+N      4.82216859      0.79687122     -0.70488038
+C      5.81333926      0.99681126     -1.77123734
+C      5.15023785      2.16734671     -1.12358737
+H      0.85288632      1.24375199     -0.17658281
+H      0.49336866     -0.33852503      0.08470936
+H      2.83553447      0.20915180      0.94105729
+H      2.58740022     -1.67581914     -1.52238018
+H      3.91459129     -1.68965462     -0.22928498
+H      3.14845714      0.68464519     -2.09890552
+H      5.51125203      0.75879983     -2.79627141
+H      6.84211076      0.73346365     -1.51504243
+H      5.68820655      2.76928712     -0.38763748
+H      4.40687861      2.70899398     -1.71775599 
+
+18
+-1809.5615725627738 11.493982 12.46456 -9.1152 -6.9161 -10.514 0.9279 0.0004 3.13 9.85415 -2.85127 8.5574145312 10.9634248542 0.098583863
+N      0.98609855      0.05905173      0.07104299
+C      2.45526776      0.03558945      0.02370550
+C      3.04702107     -1.11030632      0.90995916
+C      3.87272560     -0.26435379      1.89889803
+C      4.55177593      0.76191722      0.94352507
+C      3.08569231      1.24518610      0.75095093
+C      2.87656727      0.87985943      2.24808711
+H      0.61635702     -0.81153842     -0.32020756
+H      0.63308360      0.80933835     -0.52984658
+H      2.85503340     -0.02569591     -1.00821520
+H      3.66626077     -1.81447130      0.33516342
+H      2.24455219     -1.67105439      1.41252784
+H      4.43785851     -0.80035605      2.67265089
+H      5.09429482      0.37650991      0.06517721
+H      5.16585935      1.49750640      1.48079293
+H      2.84854918      2.24058066      0.35043804
+H      3.31815786      1.62641222      2.92220382
+H      1.86026481      0.60831471      2.56448640 
+
+17
+-1673.2063285441627 11.047347 11.90404 -8.6583 -6.5685 -10.234 0.8882 -0.0402 3.125 9.5795 -2.81914 8.284930499 12.3813411488 0.121743527
+N      0.98823585      0.04292966     -0.00319497
+C      2.45184451      0.02793672      0.01254453
+C      3.03543088     -1.12215662      0.89545694
+C      3.87117907     -0.26307601      1.86246542
+C      4.55109445      0.76648726      0.92212544
+C      3.07138753      1.21240059      0.79365726
+N      2.83475021      0.78601293      2.23423749
+H      0.63968969     -0.85041707     -0.35961492
+H      0.65431992      0.75817723     -0.65486362
+H      2.90327593      0.00110125     -1.00004080
+H      3.63923118     -1.84332897      0.32768065
+H      2.23302798     -1.64648269      1.43225803
+H      4.39995795     -0.77268650      2.67883112
+H      5.08994199      0.41176140      0.02553005
+H      5.15732735      1.49812958      1.47422525
+H      2.76997368      2.22742207      0.50076709
+H      3.32393184      1.48079920      2.81651506 
+
+18
+-1812.5576998475192 11.528888 12.57295 -9.1609 -6.9168 -10.361 0.9274 -0.0151 3.108 9.87372 -2.86222 8.5352830302 12.5532601364 0.238368818
+N      1.08608721      0.05728417      0.44748706
+C      2.52013562      0.01304736      0.10304924
+C      2.81153171     -1.31581012     -0.63604787
+C      2.52906140     -1.03620508     -2.11323658
+C      3.62576700     -0.37390061     -2.91529825
+C      2.52933229      0.46970029     -2.30615058
+C      2.81175866      1.11262919     -0.94711597
+H      0.87072739      0.94246138      0.91436747
+H      0.87069131     -0.68135592      1.12270145
+H      3.18256010      0.12604396      0.98555662
+H      2.17731400     -2.12663757     -0.24759470
+H      3.85918026     -1.62114840     -0.47742749
+H      1.80550749     -1.65879307     -2.64026663
+H      4.62324119     -0.31701558     -2.47000467
+H      3.62169239     -0.51245804     -3.99766072
+H      1.80602622      0.93953765     -2.97323154
+H      3.85938355      1.44811390     -0.87046912
+H      2.17750221      1.99518648     -0.77569771 
+
+15
+-1562.6502781417303 10.761828 11.43007 -8.5419 -6.5825 -9.495 0.8284 -0.0709 1.124 8.77103 -0.48806 5.0371048304 11.9627644128 0.176649476
+N      1.51206622      0.14824459      1.15994205
+C      2.31552180      0.04591303      0.16332552
+C      2.95975394     -1.27312469     -0.25431101
+C      4.08765907     -0.87744467     -1.19117852
+C      5.12502186      0.10887809     -0.68771864
+C      3.92451815      0.59847159     -1.47248808
+N      2.76737128      1.03042378     -0.72303248
+H      1.18786826      1.11801193      1.28263442
+H      2.21219724     -1.89172842     -0.77479176
+H      3.28146354     -1.82755852      0.63735603
+H      4.37253556     -1.55528651     -1.99503154
+H      5.15496078      0.33239115      0.38093785
+H      6.09315217      0.10857497     -1.19018221
+H      4.04010050      1.01658323     -2.47322669
+H      2.72409963      1.99795044     -0.40821492 
+
+17
+-1676.603545128899 10.981689 11.88308 -8.6439 -6.5317 -10.167 0.8643 -0.0912 3.052 9.70848 -2.77839 8.317042873 12.218758307 0.167226318
+N      1.08857201     -0.01991178      0.48750510
+C      2.50213276     -0.01724828      0.07057271
+C      2.83125198     -1.37093902     -0.60176715
+C      2.55103882     -1.13541208     -2.08389381
+C      3.59640317     -0.42609249     -2.86935684
+N      2.43046735      0.32257462     -2.35603326
+C      2.69684649      1.01008213     -1.06561876
+H      0.83238748      0.90017278      0.85485083
+H      0.95507006     -0.68255282      1.25584756
+H      3.20465942      0.19056963      0.90296376
+H      2.20096097     -2.17278568     -0.19297543
+H      3.88165548     -1.65105126     -0.42710161
+H      1.82176781     -1.77237945     -2.58952164
+H      4.56610563     -0.26967412     -2.38222595
+H      3.63842719     -0.51806092     -3.95777316
+H      3.71662391      1.42917735     -1.04789278
+H      1.98945947      1.84726140     -0.96270957 
+
+17
+-1682.9003987950075 10.972055 11.77779 -9.0015 -6.8199 -10.26 0.8176 -0.1439 2.981 10.0802 -2.70787 8.3534699598 12.7627964764 0.213557325
+N      1.11394368      0.05543624      0.48588227
+C      2.52968450      0.00663269      0.06947618
+C      2.77413317     -1.33263347     -0.67791257
+C      2.67821344     -1.01650363     -2.16450768
+N      3.83331946     -0.33895673     -2.79234984
+C      2.67620572      0.46606712     -2.34437794
+C      2.77124060      1.12889135     -0.97656829
+H      0.92729158      0.93826141      0.96987305
+H      0.92920808     -0.68674138      1.16670274
+H      3.23093596      0.11081233      0.92156118
+H      2.01805130     -2.07550144     -0.38093401
+H      3.75967371     -1.76195173     -0.42935763
+H      2.12796788     -1.69027077     -2.82531714
+H      4.59375794     -0.25465822     -2.10606968
+H      2.12438478      0.96079575     -3.14696313
+H      3.75586358      1.60721390     -0.83834346
+H      2.01352463      1.91959658     -0.86550404 
+
+18
+-1798.035213462166 12.252528 12.96675 -8.9988 -6.9015 -9.407 1.098 -0.0323 1.389 8.8644 -0.79022 6.5947905428 6.5947905428 0.390397418
+N      0.76747791      0.37500436      0.37777049
+C      2.16430738      0.04574738      0.09253015
+C      3.20004863      0.97005611      0.82285483
+C      4.09794359     -0.27008799      1.06193733
+C      2.86537897     -1.16998711      0.79326558
+C      2.35078285      0.11977887     -1.40204746
+C      2.91281146     -0.79182592     -2.20322277
+H      0.59135235      0.30367079      1.38339399
+H      0.14629059     -0.29627473     -0.08291315
+H      2.76688835      1.34907003      1.76139516
+H      3.60761903      1.81603570      0.25219016
+H      4.85993947     -0.37748416      0.27824825
+H      4.58258712     -0.35599109      2.04309400
+H      3.00421472     -2.09913629      0.22228174
+H      2.33460991     -1.41309370      1.72609004
+H      1.96792944      1.05244674     -1.83280813
+H      3.30381010     -1.74005474     -1.82875996
+H      3.00193813     -0.61531426     -3.27601026 
+
+16
+-1640.6484201590765 11.871513 12.80195 -9.0828 -6.9768 -9.509 0.8925 -0.0423 2.376 9.14112 -1.9345 4.3453249434 10.784054308 0.312371365
+N      0.86183876      0.03645305      0.17969531
+C      2.31711493     -0.01972228      0.04896493
+C      3.10007799      1.06331937      0.86984237
+C      4.18812460      0.00759851      1.18943583
+C      3.17468374     -1.10397703      0.82143675
+C      2.67955167      0.00582197     -1.36631531
+C      3.00380607      0.00224884     -2.53656408
+H      0.59891779     -0.17323584      1.14601344
+H      0.42420147     -0.67121477     -0.41567916
+H      2.51336663      1.32916864      1.76183273
+H      3.38433645      1.97965705      0.33799441
+H      5.01794668      0.05119847      0.47132516
+H      4.59775778      0.00001792      2.20741776
+H      3.52663138     -1.97121899      0.24757952
+H      2.61190171     -1.44992727      1.70186141
+H      3.28342235      0.00907234     -3.57015107 
+
+18
+-1796.5620714079785 12.292909 13.21605 -9.0254 -6.7959 -9.397 0.9426 -0.0224 1.355 8.88441 -0.76293 6.5790567194 6.5790567194 0.414485621
+N      0.75953843     -0.06920677      0.36887175
+C      2.19039605     -0.02812713      0.06061914
+C      3.00635176      1.08626663      0.76336468
+C      4.12109634      0.04524608      1.06856653
+C      3.06784046     -1.08115668      0.78197397
+C      5.31019735      0.00100867      0.15587785
+C      5.67284617      0.90897054     -0.75850175
+H      0.34535040     -0.91192536     -0.04147764
+H      0.28812939      0.71926686     -0.08463103
+H      2.41870662     -0.03196433     -1.02257332
+H      2.49680481      1.39597451      1.68698838
+H      3.26963061      1.97904288      0.18001933
+H      4.48298206      0.04910299      2.10985244
+H      3.40610647     -1.95095041      0.20103711
+H      2.57735759     -1.41767701      1.70675630
+H      5.93677040     -0.89196819      0.28013429
+H      5.09832223      1.82150227     -0.93184971
+H      6.56672287      0.76874446     -1.36742832 
+
+16
+-1641.506589461664 11.968581 13.07528 -9.2346 -6.974 -9.674 0.8924 -0.0561 2.36 9.28931 -1.93299 4.328475246 11.0182390648 0.400135372
+N      0.91599531      0.01561947      0.14289251
+C      2.37273039      0.01916797      0.01197054
+C      3.12833153      1.07409812      0.85590348
+C      4.18487483     -0.02306156      1.23111683
+C      3.12870124     -1.09194753      0.78076651
+C      5.39396553      0.00513877      0.42909426
+C      6.40308318      0.02822415     -0.24831682
+H      0.52493634     -0.77623102     -0.37667948
+H      0.52883462      0.85497319     -0.29945829
+H      2.73494610      0.05542964     -1.03358788
+H      2.53453828      1.35091141      1.73858767
+H      3.50184524      1.97463515      0.35258931
+H      4.45375892     -0.05985979      2.29705836
+H      3.50287985     -1.95513215      0.21623510
+H      2.53475499     -1.42960261      1.64184663
+H      7.29484364      0.04920678     -0.84038873 
+
+18
+-1798.8416565578798 12.589187 13.56571 -9.052 -6.8554 -9.383 1.2044 0.006 1.345 8.84588 -0.74218 6.575411531 6.575411531 0.476178268
+N      1.04415511     -0.43421893      0.46797158
+C      2.36190869      0.08869862      0.11900656
+C      2.88840867      1.29336099      0.93462307
+C      4.28686568      0.62281238      0.92510304
+C      3.58634005     -0.73993264      0.62397610
+C      4.22931765     -1.71693071     -0.29766748
+C      4.43338716     -3.01465241     -0.03318135
+H      0.86109840     -1.28865323     -0.06742612
+H      0.32052903      0.23433967      0.18711535
+H      2.50011855      0.29344232     -0.96332491
+H      2.44599371      1.28417797      1.94158023
+H      2.78683805      2.29657527      0.49882334
+H      4.89649094      0.95424323      0.07106422
+H      4.89596510      0.67857596      1.83653976
+H      3.29686196     -1.22647748      1.56984824
+H      4.54837258     -1.31644148     -1.26927659
+H      4.13465300     -3.45103907      0.92368871
+H      4.90588569     -3.68057047     -0.75699373 
+
+16
+-1643.132392266723 12.039399 13.20204 -9.2624 -7.0446 -9.661 0.9109 -0.0199 2.324 9.24492 -1.90512 4.337154266 10.7202139166 0.34512094
+N      0.96555396     -0.01700136      0.06913929
+C      2.42226470      0.03224689      0.02564904
+C      3.11735953      1.09373106      0.91179678
+C      4.18309195      0.03219599      1.28711566
+C      3.16749997     -1.07278120      0.84783815
+C      3.64061159     -2.26027423      0.17035937
+C      4.04386117     -3.23724472     -0.43077967
+H      0.62984114     -0.79624700     -0.50523037
+H      0.58043576      0.83207066     -0.35497965
+H      2.85493905      0.05527894     -0.99366470
+H      2.47611103      1.34201287      1.77025927
+H      3.45834492      2.01828169      0.42812157
+H      5.04994979      0.05588669      0.61355870
+H      4.53309615     -0.00653706      2.32591886
+H      2.52337689     -1.34366494      1.70080360
+H      4.40022241     -4.10222427     -0.95149589 
+
+18
+-1812.1565704740935 11.460584 12.46714 -9.0895 -6.89 -10.449 0.8986 -0.0485 3.141 9.84448 -2.82452 8.5086260402 11.1401668972 0.18989202
+N      1.03993488      0.15122643      0.16320494
+C      2.48876071     -0.06553487     -0.03504518
+C      2.75291660     -1.52141653     -0.48932939
+C      2.74173555     -1.50074043     -2.03532190
+C      3.20790398     -0.09038905     -2.40978341
+C      2.16788769      1.00157552     -2.40199077
+C      3.04207571      0.79392048     -1.18276714
+H      0.86584873      1.14199736      0.35340872
+H      0.73154194     -0.35928059      0.99471962
+H      3.07522074      0.15465736      0.87860288
+H      2.02852678     -2.22995086     -0.05748005
+H      3.75513792     -1.81742187     -0.13993841
+H      3.40686830     -2.26881535     -2.45544757
+H      1.73143344     -1.69782733     -2.42579291
+H      4.07814814      0.02640468     -3.05779380
+H      2.35938912      1.89232409     -3.00262367
+H      1.12057623      0.70542210     -2.32370802
+H      3.78393355      1.55720887     -0.94281394 
+
+16
+-1670.675158147808 11.347852 11.9837 -8.7457 -6.5878 -8.794 1.0462 -0.1444 1.402 8.31834 -0.76203 5.8882067274 5.8882067274 0.242549805
+N      1.04540617     -0.23446155      0.08216278
+C      2.46128828      0.16724807     -0.07550366
+C      2.77386421      1.41940443      0.72787818
+C      3.80983300      1.24295747      1.56206679
+C      4.31959162     -0.15881785      1.51675564
+C      3.31807244     -1.20976455      1.96748153
+C      3.43410058     -0.86883704      0.50156350
+H      0.87376031     -1.08080311     -0.46791680
+H      0.44227072      0.48766355     -0.32204951
+H      2.72959613      0.34380194     -1.13992585
+H      2.18024252      2.33117386      0.63967794
+H      4.21315875      2.00108167      2.23587819
+H      5.38688883     -0.36922338      1.60047011
+H      3.71291575     -2.17868733      2.27702316
+H      2.43025317     -0.86658430      2.50009516
+H      3.85874753     -1.61625188     -0.16908718 
+
+15
+-1551.748406262335 10.637905 11.35233 -9.4503 -7.4397 -10.452 1.4186 -0.0821 1.094 9.64766 -0.44899 4.9827741652 11.610606977 0.174377697
+N      1.57095331      0.29173769      0.87871025
+C      2.56163298      0.01846696      0.12678439
+C      2.82148474     -1.35404878     -0.48107756
+C      4.30298916     -1.32748759     -0.89462083
+C      4.63921523      0.15662852     -0.96627672
+C      3.74176989      1.05477058     -1.72585418
+N      3.60531142      0.95310648     -0.23663472
+H      1.62059184      1.28338493      1.15681473
+H      2.15360755     -1.48815189     -1.34546625
+H      2.57229767     -2.14748682      0.23276263
+H      4.92848168     -1.79811582     -0.12163309
+H      4.50043043     -1.84964067     -1.84208954
+H      5.66978983      0.46933393     -0.78409696
+H      4.10009849      2.02695504     -2.06727223
+H      2.95141577      0.61117742     -2.33725993 
+
+13
+-1412.1059354079619 10.752285 10.81947 -8.963 -7.0067 -9.15 0.2688 -1.3989 -0.074 8.60785 0.53703 4.686484821 5.0880630764 0.364960387
+N      1.12281116     -0.14668391     -0.07037812
+C      2.37233950      0.12416546     -0.14665135
+C      3.00756550      1.38049524      0.28250637
+C      4.33923981      1.30350862      0.08506473
+C      4.68203205     -0.02448412     -0.48666368
+C      4.36020035     -1.22054944      0.35610478
+N      3.40556692     -0.75411137     -0.68159047
+H      0.94796540     -1.08520548     -0.45793462
+H      2.44807049      2.19758736      0.73300421
+H      5.07572493      2.07790377      0.29660494
+H      5.42673410     -0.11169732     -1.28183993
+H      4.83260782     -2.18033946      0.13538443
+H      4.10087199     -1.03722936      1.40228871 
+
+17
+-1687.2565227778634 11.003957 11.87048 -8.7325 -6.5852 -10.188 0.841 -0.0936 3.05 9.69316 -2.84674 8.144516354 11.4401758214 0.104189839
+N      1.46602863      0.12901752      0.88761046
+C      2.57973065     -0.19091514     -0.01200478
+C      2.35603627     -1.55975744     -0.70622937
+C      3.13090254     -1.50621257     -2.03830195
+C      3.14654295     -0.02965463     -2.39786184
+N      1.81347051      0.62021712     -2.24914188
+C      2.84004555      0.76216990     -1.17928963
+H      0.63310281      0.29576114      0.31269834
+H      1.65451531      1.00472985      1.38241553
+H      3.49923788     -0.23008134      0.59899308
+H      1.28061657     -1.66776077     -0.90578472
+H      2.65763314     -2.39582249     -0.06227804
+H      4.17142290     -1.84610766     -1.90737266
+H      2.67225045     -2.13130101     -2.81936261
+H      3.82498183      0.34273792     -3.16895288
+H      1.80669735      1.47718728     -2.81141122
+H      3.28810465      1.74294232     -0.99794583 
+
+15
+-1540.9064062063933 10.891915 11.277 -8.8673 -6.7733 -9.059 0.9793 -0.465 1.174 8.61109 -0.55497 5.9366728548 5.9366728548 0.243128982
+N      0.98729162      0.01089144      0.01550884
+C      2.46218321     -0.03019580     -0.01578700
+C      3.07145590      1.28834502      0.41588409
+C      3.73693874      1.17551013      1.58011477
+C      3.74637063     -0.23205513      2.06467171
+N      4.42949314     -1.22544821      1.18010768
+C      2.98280807     -1.01580795      1.04033116
+H      0.60549801     -0.73680911     -0.57011712
+H      0.65271670      0.89188292     -0.38115407
+H      2.85747429     -0.30709854     -1.01748827
+H      3.00846043      2.19144751     -0.19460910
+H      4.25788630      1.98655495      2.09137352
+H      3.76552828     -0.47100560      3.12940161
+H      4.92698256     -0.70903940      0.44288111
+H      2.34969212     -1.86513222      1.30701106 
+
+16
+-1673.8994577244566 12.038003 12.44302 -9.0803 -6.8788 -8.921 1.0381 -0.2636 1.345 8.57781 -0.6617 6.1314424622 6.1314424622 0.255464409
+N      0.96579002     -0.14799017     -0.48369624
+C      2.35746348      0.02118902      0.00949901
+C      3.19213405     -1.18849152     -0.35148052
+C      4.08342746     -0.91924679     -1.31503435
+C      4.02556145      0.52092730     -1.75679137
+C      3.06046879      1.14084321     -0.75903881
+C      2.88675931      2.44560183     -0.52753139
+H      0.43161290      0.69622275     -0.25878247
+H      0.51812204     -0.91474641      0.02752408
+H      2.40064462      0.22644387      1.09946913
+H      3.03738811     -2.16588958      0.10848463
+H      4.76821904     -1.64497127     -1.75656844
+H      5.00960118      1.01743481     -1.74046715
+H      3.65148016      0.60155738     -2.79360409
+H      3.41900314      3.20756707     -1.10077067
+H      2.20392426      2.80142850      0.24791865 
+
+16
+-1679.6825461782694 12.594318 12.44156 -8.3806 -6.3471 -8.214 0.7415 -0.7484 0.429 7.68972 0.12475 4.9664700062 4.9664700062 0.618312681
+N      1.06027266      0.02038427      0.11654154
+C      2.52981276     -0.04906454     -0.01903425
+C      2.92336700     -1.28162833     -0.88097818
+C      3.38781096     -0.68816610     -2.18321158
+C      3.43881121      0.65952552     -2.13442929
+C      3.01981107      1.15422690     -0.82952842
+C      3.04526112      2.42657706     -0.38840231
+H      0.79761856      0.93916863      0.48354492
+H      0.74480486     -0.67151877      0.80231627
+H      3.05532168     -0.07520706      0.95556430
+H      2.05979508     -1.95377612     -1.01561750
+H      3.72486361     -1.87590532     -0.40851872
+H      3.65984960     -1.29426651     -3.04875273
+H      3.76322912      1.31160565     -2.94657522
+H      2.74041393      2.68543783      0.62758750
+H      3.37696677      3.24496689     -1.02928634 
+
+18
+-1817.0764553385202 12.174501 13.01448 -8.9943 -6.7909 -9.093 0.9492 -0.2384 1.461 8.47092 -0.78788 6.3325973486 6.3325973486 0.389817917
+N      0.97265637      0.03706351      0.00590781
+C      2.43891485      0.02530665      0.04406401
+C      3.03185212      1.15189171      0.90879259
+C      4.46411623      0.66762372      1.17790564
+C      4.29483008     -0.84778636      1.42038762
+C      3.03704923     -1.23556355      0.65433046
+C      2.52424173     -2.46771812      0.56381781
+H      0.63234681     -0.78299463     -0.50296225
+H      0.65582187      0.84728084     -0.53339262
+H      2.89392695      0.12216651     -0.96941922
+H      2.45326992      1.20793933      1.84557112
+H      2.98734647      2.13628160      0.41991079
+H      5.09216109      0.84289829      0.28931513
+H      4.94185652      1.18435362      2.02132867
+H      5.17285374     -1.43578589      1.11506872
+H      4.13649942     -1.04564322      2.49344708
+H      1.59352384     -2.67494768      0.03179237
+H      3.01364278     -3.32359634      1.03314427 
+
+19
+-1834.324351511947 11.774204 12.74904 -8.8716 -6.7046 -10.176 0.8292 -0.1625 3.121 9.6248 -2.81244 8.262489033 11.5562763118 0.110806799
+N      1.08929996     -0.01194245     -0.23891488
+C      2.54129300      0.03564635     -0.03689796
+C      2.97159378      1.15465533      0.91620413
+C      4.37201253      0.72251330      1.42906044
+C      4.48406484     -0.79470525      1.12214488
+C      3.07805940     -1.22808691      0.67192920
+N      3.08982698     -2.49138101     -0.06571855
+H      0.86256154     -0.71818632     -0.94510600
+H      0.76097595      0.87702291     -0.62493956
+H      3.11099374      0.14019100     -0.98980515
+H      2.24408074      1.19246132      1.74354173
+H      2.97819128      2.14671617      0.44030862
+H      5.17024820      1.28396544      0.92264468
+H      4.47670269      0.92996708      2.50329753
+H      5.19340485     -0.97345445      0.29697441
+H      4.83703462     -1.38918432      1.97506154
+H      2.43757630     -1.38168256      1.55937735
+H      3.56317052     -2.37158830     -0.96680796
+H      2.13624908     -2.80381735     -0.26261445 
+
+17
+-1691.609733366389 11.64978 12.1058 -9.0523 -6.8801 -9.072 0.8159 -0.204 1.444 8.55401 -0.80458 6.227382829 6.227382829 0.305868643
+N      1.06103718      0.01125038      0.15939315
+C      2.52010526     -0.08512529     -0.02002656
+C      2.85597312     -1.31432153     -0.90680523
+C      3.37580127     -0.71922291     -2.18836085
+C      3.45298838      0.61654669     -2.14135185
+C      3.04276927      1.17592521     -0.80192300
+N      4.15174403      1.94071822     -0.21124573
+H      0.83503949      0.82231317      0.74285470
+H      0.71698565     -0.80815347      0.66749689
+H      3.07365621     -0.14628085      0.93915923
+H      1.94534774     -1.91195775     -1.08333809
+H      3.59273022     -1.99098455     -0.44110176
+H      3.64413992     -1.32988412     -3.05297070
+H      3.79949886      1.26420273     -2.94794298
+H      2.19996696      1.88168617     -0.92208859
+H      4.95219292      1.32264229     -0.05120287
+H      3.87987352      2.31903560      0.69967426 
+
+14
+-1583.6956869985074 12.144857 11.66868 -7.8108 -6.0017 -8.252 1.1984 -0.2029 0.74 8.57005 -0.15422 4.3994820282 5.9756788504 0.617881842
+N      0.99234848      0.01599010      0.26485137
+C      2.37652266      0.03362383      0.05261217
+C      3.07775289      1.25282314     -0.01824689
+C      4.46469400      1.26454030     -0.16799579
+C      5.18647986      0.06889908     -0.24909963
+C      4.49403640     -1.14451913     -0.17641834
+C      3.10724333     -1.16760553     -0.02670089
+H      0.50382307      0.85151680     -0.04763366
+H      0.52434674     -0.82904525     -0.05341055
+H      2.52651643      2.19403879      0.04843396
+H      4.98596061      2.22219308     -0.22314077
+H      6.27033683      0.08252207     -0.36690123
+H      5.03848611     -2.08878541     -0.23807903
+H      2.57910258     -2.12240188      0.03350928 
+
+20
+-1964.113084487496 12.034635 13.12258 -9.033 -6.8256 -10.511 0.865 -0.1028 3.073 9.8701 -2.85033 8.5690816138 10.3929528696 0.175776523
+N      0.98611149      0.02401422      0.07509516
+C      2.46252987      0.01364998      0.03335942
+C      2.95114100     -1.33790951     -0.51871363
+C      2.59602263     -1.53885356     -1.99830799
+C      3.11948835     -0.37973400     -2.85735171
+C      2.60411043      0.96935662     -2.33790437
+C      2.95905695      1.16676172     -0.85774286
+H      0.65963355      0.90525548      0.48056671
+H      0.65435114     -0.71645208      0.69897043
+H      2.91101360      0.14849898      1.04028626
+H      2.53547577     -2.15738029      0.09275908
+H      4.04706783     -1.38288388     -0.39199463
+H      3.00784363     -2.49686770     -2.35401436
+H      1.50051156     -1.59902363     -2.10168026
+H      4.22553635     -0.38097706     -2.84001574
+H      2.82304150     -0.52117600     -3.90916383
+H      3.02208710      1.79562627     -2.93498831
+H      1.50896384      1.00710292     -2.45471670
+H      4.05535939      1.23684043     -0.74655275
+H      2.54913401      2.12191108     -0.48646991 
+
+16
+-1678.9688984414697 11.976117 12.27837 -8.9592 -6.7385 -8.721 0.8936 -0.1355 1.317 8.49409 -0.97702 5.6252200228 6.916992961 0.558384477
+N      0.94017514     -0.01281722     -0.35567180
+C      2.40159834     -0.00523562     -0.07473682
+C      2.76454813      1.25087367      0.67474442
+C      3.40675987      1.26482185      1.84858894
+C      3.83028046      0.02047361      2.57251181
+C      3.41594110     -1.23802035      1.86794749
+C      2.77372861     -1.24694466      0.69405488
+H      0.71590738     -0.83273414     -0.92790161
+H      0.70885896      0.80035105     -0.93477869
+H      2.99073623     -0.01027634     -1.02195433
+H      2.48079163      2.19679827      0.20225284
+H      3.64265566      2.22106834      2.32397307
+H      4.92697902      0.02573629      2.72519279
+H      3.41355460      0.02689767      3.59804883
+H      3.65866901     -2.18501852      2.35817385
+H      2.49679586     -2.20212389      0.23640434 
+
+16
+-1680.566285493393 12.07618 12.26148 -8.2152 -6.1811 -8.096 0.6546 -0.925 0.48 7.69802 0.09532 4.4640291398 4.4640291398 0.205305292
+N      0.98574904      0.00541260      0.50491861
+C      2.38248482      0.01394055      0.03628318
+C      2.64726963      1.27603621     -0.79310291
+C      3.97076854      1.20391797     -1.51255834
+C      4.45410106      0.01363943     -1.92515965
+C      3.70042185     -1.21385641     -1.67036934
+C      2.68655959     -1.22075844     -0.78184866
+H      0.83113651      0.80281036      1.12830318
+H      0.82097437     -0.82934689      1.07484591
+H      3.11501286      0.01444545      0.87989591
+H      2.60155848      2.16468528     -0.14387263
+H      1.83021834      1.38594717     -1.53523856
+H      4.48912035      2.13309078     -1.75949302
+H      5.38491001     -0.04334760     -2.49362870
+H      3.97095733     -2.12245635     -2.21255544
+H      2.11377722     -2.13015010     -0.58242952 
+
+16
+-1679.7987639325404 12.793224 12.6761 -8.3833 -6.3371 -8.24 0.713 -0.7614 0.44 7.7098 0.10951 4.9913911922 4.9913911922 0.625367302
+N      1.06853340      0.11601461     -0.52373540
+C      2.43636130     -0.00295893      0.02162193
+C      2.61310968     -1.30348827      0.84819168
+C      3.29911652     -0.87679651      2.13837971
+C      3.85823661     -1.67944547      3.06349574
+C      3.24143934      0.58258821      2.17587865
+C      2.74507069      1.08272114      1.02694126
+H      0.92504547     -0.60849341     -1.23356969
+H      0.97467215      1.00764091     -1.01921598
+H      3.21077582      0.03471596     -0.77618386
+H      3.17137079     -2.08486160      0.31428170
+H      1.60892159     -1.69559138      1.07759501
+H      3.86698455     -2.76447969      2.95071167
+H      4.32393279     -1.26674095      3.95988529
+H      3.58112859      1.17006752      3.03031309
+H      2.61221070      2.14264786      0.80249920 
+
+18
+-1823.2787156908096 12.052949 12.80201 -9.0834 -6.8624 -9.034 0.8935 -0.0663 1.431 8.51025 -0.78558 6.2359750588 6.2359750588 0.349848084
+N      1.09802652      0.00211798      0.67816602
+C      2.43423677      0.02294663      0.06063657
+C      2.54181000      1.20656452     -0.90587718
+C      3.93740886      1.28341169     -1.53732907
+C      4.42040633     -0.06410697     -2.00322159
+C      3.84126286     -1.21669309     -1.63534718
+C      2.66557183     -1.29039283     -0.69785424
+H      0.96496800      0.84661250      1.24130989
+H      1.02756503     -0.78598358      1.32790960
+H      3.25203361      0.12520347      0.80755594
+H      2.30878308      2.14681005     -0.37970663
+H      1.77678939      1.07940940     -1.68974564
+H      4.66366872      1.70346621     -0.81633511
+H      3.92857075      1.98839454     -2.38519015
+H      5.28333468     -0.08575859     -2.67514737
+H      4.22900117     -2.16195289     -2.02587518
+H      1.74385973     -1.53773884     -1.25671538
+H      2.81329267     -2.11741019      0.01897670 
+
+18
+-1818.7076948572146 12.313204 13.20864 -9.0894 -6.8776 -9.126 0.9563 -0.1475 1.441 8.49375 -0.7769 6.3408796134 6.3408796134 0.418892595
+N      1.00253035      0.02824439     -0.12294020
+C      2.46292415     -0.01187478      0.02658455
+C      2.99723851      1.15513401      0.87355030
+C      4.39197678      0.67951304      1.31461164
+C      4.26914080     -0.83739492      1.41266317
+C      5.18758790     -1.66500706      1.92531815
+C      2.93151688     -1.24295786      0.82175712
+H      0.68890937     -0.77020678     -0.68170704
+H      0.73259112      0.86131781     -0.65323657
+H      3.00011531     -0.00333459     -0.94665460
+H      2.33108156      1.27508684      1.74372871
+H      3.01610340      2.11021557      0.32805211
+H      5.14522730      0.93533751      0.54995766
+H      4.72767454      1.13562701      2.25702516
+H      5.03920794     -2.74659990      1.93878052
+H      6.11954579     -1.28788023      2.35179744
+H      2.98988986     -2.16334884      0.22184920
+H      2.19707843     -1.41654120      1.62917269 
+
+18
+-1821.395128533876 12.066932 12.70245 -9.0092 -6.8398 -9.085 0.9172 -0.124 1.443 8.54326 -0.79347 6.3018612192 6.3018612192 0.36884294
+N      0.96228807      0.19773913     -0.20645832
+C      2.38723978      0.01940148      0.17213587
+C      3.19274153      1.26388615     -0.24072423
+C      3.45046085      1.27376045     -1.74962504
+C      4.28157966      0.05388532     -2.16302723
+C      3.79777137     -1.20957630     -1.50668148
+C      2.93962229     -1.22668087     -0.47566039
+H      0.48552412      0.75645970      0.50688794
+H      0.48976344     -0.70950659     -0.22734383
+H      2.49854659     -0.11302133      1.26875874
+H      2.64456209      2.16864080      0.06650433
+H      4.15113801      1.26482425      0.30708861
+H      3.95611464      2.20236450     -2.05430739
+H      2.47672975      1.24381400     -2.26387908
+H      5.34719150      0.20669601     -1.90534807
+H      4.26297398     -0.07250072     -3.25866377
+H      4.18128735     -2.15656432     -1.89943012
+H      2.61380497     -2.18472166     -0.05691653 
+
+13
+-1461.9673030339316 11.412243 10.92942 -8.1507 -6.3282 -8.442 0.7986 -0.6773 0.301 7.95248 0.27579 4.329715106 6.4769790456 0.443157232
+N      1.05668214     -0.02276639      0.26048833
+C      2.42623783      0.04613693      0.05533611
+C      3.09506689      1.28890181     -0.02097621
+C      4.47553810      1.28807552     -0.17338280
+C      5.16154270      0.06795980     -0.23862864
+C      4.40815982     -1.10223739     -0.15027736
+N      3.07282328     -1.13357911     -0.01252793
+H      0.50141126      0.76288146     -0.06273214
+H      0.66000845     -0.93643202      0.05428949
+H      2.53562903      2.22401741      0.04465457
+H      5.01623256      2.23404311     -0.23911249
+H      6.24406920      0.02557827     -0.35589137
+H      4.89917876     -2.07951941     -0.19825956 
+
+17
+-1709.752156109992 11.489463 12.16474 -8.5549 -6.607 -9.603 0.7761 -0.2173 1.109 8.81831 -0.46578 5.0127663786 11.2134426232 0.260116114
+N      1.11434876      0.02145785      0.53567343
+C      2.32270560      0.04027509      0.08211099
+C      3.06458948     -1.27592996     -0.05863242
+C      4.06693323     -1.30085704     -1.21769002
+C      4.97605471     -0.07270826     -1.14790454
+C      4.13642367      1.19846985     -1.21177887
+N      3.07379195      1.18066127     -0.19537168
+H      0.73466107      0.97728194      0.61884225
+H      2.31012117     -2.06786294     -0.14123220
+H      3.60391134     -1.44345636      0.89010420
+H      4.65797957     -2.22844076     -1.18413274
+H      3.52654754     -1.30331361     -2.18046240
+H      5.55050231     -0.08724667     -0.20632018
+H      5.70084357     -0.06455901     -1.97585555
+H      4.76306988      2.08542987     -1.03353370
+H      3.70665418      1.29691336     -2.22915054
+H      2.52693196      2.04007539     -0.15643603 
+
+15
+-1567.4523194761753 11.399118 11.63963 -8.4491 -6.5127 -9.257 0.6956 -0.2372 1.025 8.58506 -0.49856 5.0872571674 6.2002174964 0.383974885
+N      0.84286900     -0.00218740     -0.00712439
+C      2.13376646      0.03519200      0.02035720
+C      2.86776148     -1.29376793      0.05009358
+C      4.36139529     -1.21445664      0.02620911
+C      5.03442738     -0.06031312     -0.01709627
+C      4.36019915      1.27277512     -0.04067988
+N      2.90919995      1.17670628      0.05450306
+H      0.43788994      0.94501290     -0.01993625
+H      2.49695486     -1.89028913     -0.79964572
+H      2.52270519     -1.83867583      0.94474959
+H      4.90871859     -2.16047103      0.04259626
+H      6.12584102     -0.04520917     -0.03839401
+H      4.74361601      1.88820614      0.79539750
+H      4.64629112      1.80707786     -0.96830202
+H      2.39734455      2.05330996      0.00453224 
+
+15
+-1575.015020047907 11.597454 11.67512 -7.9117 -5.9779 -8.486 1.2811 -0.2158 0.747 7.88666 -0.22793 4.92348406 4.9688753346 0.235131616
+N      0.90263005     -0.11797405      0.42155290
+C      2.14625653     -0.01919899      0.09820753
+C      2.90488611      1.22814077     -0.32281357
+C      4.36319568      1.25089811      0.16844409
+C      5.03166064     -0.06972807     -0.10460220
+C      4.29071422     -1.19276449     -0.13824079
+N      2.90605518     -1.17841533      0.04084751
+H      0.46053451      0.80752127      0.39470376
+H      2.35172596      2.11418432      0.01635257
+H      2.90241747      1.24259685     -1.42681555
+H      4.38976530      1.47204509      1.25251070
+H      4.90200522      2.07514312     -0.32323854
+H      6.10885879     -0.12777699     -0.25037827
+H      4.71856186     -2.18166311     -0.30248169
+H      2.40148248     -2.04276849      0.21952156 
+
+13
+-1455.0858186276703 11.36636 10.85241 -8.1562 -6.3288 -8.38 0.7225 -0.7657 0.223 7.99241 0.38004 4.2609152746 6.3580888702 0.450190053
+N      0.99702482     -0.01999870      0.24799633
+C      2.37850417     -0.00606129      0.05530179
+C      3.10470643      1.19319146     -0.03960903
+C      4.49078025      1.13370830     -0.16802638
+C      5.12230087     -0.11265279     -0.19691530
+N      4.44681991     -1.27172370     -0.10671362
+C      3.11761408     -1.20827276      0.01614679
+H      0.50017143      0.79909671     -0.09246318
+H      0.53326963     -0.88412845     -0.02144250
+H      2.58596115      2.15435480     -0.00990867
+H      5.07873837      2.04967459     -0.24628999
+H      6.20820703     -0.18801293     -0.29762510
+H      2.58786186     -2.16593522      0.09076888 
+
+19
+-1830.0794662884384 11.714818 12.57527 -8.3496 -6.2242 -9.952 0.8535 -0.1155 3.173 9.23138 -2.90661 8.097401674 11.2901403628 0.109022455
+N      0.98715078     -0.00916752      0.09612280
+C      2.45831848     -0.00493377      0.01770595
+C      2.94632355     -1.35951793     -0.52972056
+C      2.60476203     -1.52035680     -2.01652588
+C      3.14345321     -0.33418828     -2.81924342
+N      2.57433190      0.90942962     -2.29000416
+C      2.96081990      1.12574622     -0.89563874
+H      0.63965784      0.93572465      0.27622865
+H      0.68855868     -0.58665588      0.88558404
+H      2.93816583      0.16212279      1.00535993
+H      2.50712702     -2.17933294      0.06241168
+H      4.04017123     -1.41959342     -0.38979688
+H      3.02795398     -2.45911151     -2.40670402
+H      1.51177941     -1.55969773     -2.13648473
+H      4.25910378     -0.34412115     -2.77247812
+H      2.85798184     -0.42510287     -3.87847368
+H      2.88080117      1.70255573     -2.85563861
+H      4.06629043      1.18135704     -0.75909492
+H      2.54458894      2.09000375     -0.55894932 
+
+19
+-1833.3525058097089 11.823721 12.80849 -8.9447 -6.7563 -10.393 0.8496 -0.0978 3.099 9.79152 -2.79364 8.4468066206 11.9852058788 0.11726026
+N      0.95307158      0.03407229      0.01197193
+C      2.42430218      0.02777340      0.01501828
+C      3.01461846      1.12865563      0.91027874
+C      4.44633581      0.64767272      1.15294715
+C      4.31506033     -0.87650420      1.37355582
+N      5.55697987     -1.56893974      1.01055262
+C      2.99705846     -1.27070482      0.62099749
+H      0.60575889     -0.71959331     -0.58773959
+H      0.61387955      0.90295370     -0.41143264
+H      2.85143544      0.16074640     -1.00225243
+H      2.44234817      1.15560511      1.85285604
+H      2.96020241      2.12896901      0.45456455
+H      5.06140726      0.82407282      0.25290331
+H      4.95253821      1.14817906      1.98918217
+H      4.16714718     -1.06303991      2.44977161
+H      5.71607224     -1.48448884      0.00164064
+H      5.47330102     -2.56981915      1.20522721
+H      3.19125818     -2.04038782     -0.14195473
+H      2.25436476     -1.68071237      1.32397183 
+
+17
+-1676.7123949086333 10.91628 11.77199 -8.6636 -6.5883 -10.302 0.831 -0.1308 3.033 9.7365 -2.70476 8.3400918704 11.9555856234 0.123017524
+N      0.98101899      0.08647748      0.13523736
+C      2.44799246     -0.04915833      0.03542968
+C      2.82118396     -1.46547462     -0.45633114
+C      2.83662261     -1.34358010     -1.98903366
+N      3.33588602      0.03181516     -2.28291425
+C      2.25819836      1.03931214     -2.31972045
+C      3.03744771      0.84169969     -1.06584580
+H      0.73932089      1.05754155      0.35083559
+H      0.64128428     -0.47408604      0.92142243
+H      2.96499493      0.17640605      0.98801876
+H      2.12967132     -2.23814516     -0.08758035
+H      3.83148501     -1.71416666     -0.09658274
+H      3.51585972     -2.07032501     -2.45727307
+H      1.83069504     -1.49605348     -2.41180793
+H      2.46314948      1.90708779     -2.95256212
+H      1.22432226      0.68373254     -2.31799269
+H      3.80813697      1.56304700     -0.78023961 
+
+13
+-1458.2952686371013 11.308175 10.85867 -8.501 -6.7126 -9.018 0.9002 -0.3831 0.312 8.3329 0.32012 4.6178089756 5.9633174462 0.570173128
+N      0.98450722      0.01627749      0.21583185
+C      2.35978413      0.03146793      0.04454938
+C      3.08305840      1.23843954     -0.00779547
+C      4.46979999      1.19213390     -0.12688500
+N      5.19719135      0.06196635     -0.19696946
+C      4.49291917     -1.08359643     -0.14262511
+C      3.10742646     -1.15970753     -0.02437393
+H      0.48690056      0.86155056     -0.04801008
+H      0.50420259     -0.83525500     -0.05968077
+H      2.56865050      2.20038128      0.04607898
+H      5.03418825      2.12918299     -0.17017888
+H      5.07618762     -2.00832387     -0.19873216
+H      2.61268378     -2.13255721      0.01620065 
+
+19
+-1831.2130649642706 11.608452 12.45341 -8.238 -6.1295 -9.757 0.801 -0.1742 3.085 9.09674 -2.81807 7.9906869238 10.6910524094 0.139426366
+N      0.98843422      0.02618365      0.09029126
+C      2.46378824      0.01490398      0.04278230
+C      2.94595754     -1.33192189     -0.52702406
+C      2.61928721     -1.47737445     -2.02184474
+N      3.10545893     -0.36552769     -2.85042268
+C      2.62740872      0.92522106     -2.33602172
+C      2.95441642      1.16667840     -0.85376273
+H      0.66316137      0.90637038      0.49817908
+H      0.65751832     -0.71732470      0.71043935
+H      2.91825127      0.14469517      1.04712252
+H      2.49738511     -2.16264670      0.04626506
+H      4.03786041     -1.40330654     -0.38033142
+H      3.03931851     -2.41610676     -2.41502013
+H      1.52627743     -1.53071144     -2.15220899
+H      4.13083530     -0.36784870     -2.84156166
+H      3.05363736      1.72843991     -2.95682923
+H      1.53470691      0.95072263     -2.47681080
+H      4.04694127      1.26579558     -0.72948064
+H      2.51221547      2.11993811     -0.51360079 
+
+17
+-1691.1838834918005 11.736305 12.23699 -8.8745 -6.6786 -9.095 0.91 -0.2939 1.406 8.58145 -0.75919 6.2020648878 6.2020648878 0.299259963
+N      0.96379895     -0.01829239     -0.00479501
+C      2.44760965     -0.01160867     -0.05683201
+C      3.01655465     -1.28923504      0.60462517
+C      3.34580733     -0.90803338      2.07714361
+N      4.52938305     -1.52320260      2.69439295
+C      3.45683719      0.59794319      1.99762629
+C      2.98863285      1.08255785      0.84104720
+H      0.60542183     -0.63859885     -0.73700627
+H      0.60826978      0.91504542     -0.23073885
+H      2.82712421      0.10371920     -1.09248356
+H      3.95756121     -1.57195642      0.10499082
+H      2.32033507     -2.13690349      0.52529287
+H      2.49256299     -1.15847755      2.73354305
+H      5.33613222     -1.41215296      2.07221984
+H      4.38232007     -2.53013627      2.79948121
+H      3.85254446      1.18472678      2.82828676
+H      2.93148450      2.14025517      0.57478591 
+
+17
+-1668.5830821885515 10.956013 11.81207 -8.6518 -6.596 -10.345 0.8435 -0.0947 3.042 9.77893 -2.74618 8.4350403492 11.957891763 0.095137045
+N      0.98066541      0.06018628      0.07479524
+C      2.44826512      0.06380025      0.00341594
+C      3.08377122     -1.03411269      0.92624209
+N      3.89343359     -0.24521334      1.90833517
+C      4.51604981      0.76238426      0.94504193
+C      3.07561931      1.27677354      0.71920311
+C      2.89763049      0.87435442      2.20196893
+H      0.62041225     -0.83724750     -0.25999515
+H      0.59864812      0.76880143     -0.55746839
+H      2.83854140     -0.01175036     -1.03110895
+H      3.73946550     -1.72947814      0.38374722
+H      2.31164142     -1.60713474      1.46028427
+H      5.06858673      0.31896189      0.10119860
+H      5.15629415      1.46203551      1.49915441
+H      2.84290313      2.27662986      0.32301910
+H      3.34301534      1.58556714      2.91037441
+H      1.90477700      0.54309220      2.53495207 
+
+17
+-1664.4151214205308 11.780056 12.27956 -8.6858 -6.5769 -9.436 1.1722 -0.1899 1.296 8.93393 -0.70678 6.5568880226 6.5568880226 0.393766716
+N      0.76838490      0.37165883      0.40518740
+C      2.14436089      0.02194400      0.06030793
+C      3.22588098      0.90022181      0.77850003
+N      4.00678477     -0.31103877      1.17749622
+C      2.86438664     -1.18169834      0.75235203
+C      2.28702795      0.10342414     -1.43609570
+C      2.87229732     -0.78123828     -2.25144182
+H      0.62598942      0.28121888      1.41459344
+H      0.11244638     -0.26780149     -0.05090321
+H      2.81384869      1.41572406      1.66204888
+H      3.75829163      1.63261907      0.15450515
+H      4.78748056     -0.43804017      0.52895291
+H      3.13118597     -2.05262560      0.13508284
+H      2.30223802     -1.54247748      1.63019370
+H      1.86398291      1.02357648     -1.85576190
+H      3.30296630     -1.71862497     -1.89308621
+H      2.93602668     -0.59477216     -3.32407169 
+
+15
+-1506.7526224105557 11.361492 12.1064 -8.8428 -6.738 -9.565 0.8825 -0.1234 2.27 9.22146 -1.84286 4.3442586638 10.7031658416 0.199505264
+N      0.85129606      0.03365375      0.19391556
+C      2.29971049     -0.02158837      0.02292561
+C      3.10581595      1.03706241      0.85000376
+N      4.07701702      0.00284541      1.32678539
+C      3.18549550     -1.07510121      0.80056399
+C      2.63503991      0.00456961     -1.39692778
+C      2.95063885     -0.00317605     -2.56953337
+H      0.61047809     -0.18180027      1.16476469
+H      0.39145660     -0.65994869     -0.40002686
+H      2.50022587      1.42576257      1.68502129
+H      3.52957293      1.87993701      0.28839489
+H      4.92286827      0.04729246      0.75343680
+H      3.67393749     -1.85459784      0.19955787
+H      2.61445865     -1.54800886      1.61795952
+H      3.21968832      0.00553806     -3.60607136 
+
+17
+-1669.5230322814034 12.063459 12.93087 -8.533 -6.4017 -9.276 0.8275 -0.1624 1.3 8.80526 -0.70825 6.4369563648 6.4369563648 0.417040319
+N      1.01080795     -0.09564785     -0.15708117
+C      2.44560036     -0.12367120      0.01807118
+C      3.25450943     -0.82397449     -1.07627084
+N      2.63631439     -1.46490511     -2.21712574
+C      3.27213463      0.67511629     -0.99786281
+C      4.44814242      1.46670940     -0.55885021
+C      5.70907359      1.02664182     -0.45315221
+H      0.61304993      0.76068480      0.23549211
+H      0.57470311     -0.87893011      0.33612932
+H      2.86371855     -0.16113412      1.03314903
+H      4.15598979     -1.33910576     -0.73815757
+H      1.71014130     -1.04546479     -2.35315882
+H      2.46219008     -2.44975257     -1.99404885
+H      2.63632431      1.16936986     -1.74119106
+H      4.23367876      2.50836526     -0.29009305
+H      5.98872818      0.00628354     -0.72400339
+H      6.50633322      1.68095502     -0.09867591 
+
+15
+-1514.6943976342354 11.854211 12.82008 -8.5819 -6.4591 -9.28 0.7303 -0.2396 2.231 8.96751 -1.80643 4.2945402778 9.3738623412 0.272620627
+N      1.04470797     -0.07439659     -0.13304326
+C      2.47985781     -0.07288532      0.02735336
+C      3.27868348     -0.77520044     -1.05853292
+N      2.65665503     -1.43593714     -2.17933386
+C      3.25673558      0.74820290     -1.01101434
+C      4.41557560      1.49558800     -0.62926247
+C      5.40106611      2.12077054     -0.28631275
+H      0.63801598      0.78946422      0.23248334
+H      0.62804188     -0.84775008      0.39113132
+H      2.91188959     -0.06750115      1.03590169
+H      4.22016826     -1.23060432     -0.74754437
+H      1.68011882     -1.12517862     -2.23299472
+H      2.62936646     -2.44413948     -2.00450668
+H      2.62180168      1.20294228     -1.77744895
+H      6.27269573      2.67021521      0.00363459 
+
+17
+-1664.6758594696546 12.122525 12.82531 -8.4698 -6.3844 -9.372 1.28 -0.2899 1.271 8.96093 -0.68031 6.547018737 6.547018737 0.437470025
+N      0.98062610     -0.34978843      0.54605327
+C      2.29462668      0.08123402      0.07696823
+C      2.89783670      1.33442812      0.74252522
+N      4.18464244      0.60800979      1.01889932
+C      3.51783802     -0.70001576      0.64618389
+C      4.26600785     -1.59548643     -0.27788142
+C      4.65022647     -2.84526538      0.01395867
+H      0.73119169     -1.24154835      0.10802768
+H      0.26759944      0.32039692      0.24348438
+H      2.38784556      0.15188290     -1.02621128
+H      2.39190944      1.58944545      1.68758914
+H      2.98536273      2.23823446      0.12229425
+H      4.88359911      0.84549853      0.30778046
+H      3.23981677     -1.23860491      1.56823563
+H      4.51082921     -1.17397028     -1.26237099
+H      4.43188220     -3.29194150      0.98712349
+H      5.19380959     -3.46018916     -0.70474993 
+
+15
+-1507.8341762877956 11.531464 12.4361 -8.7342 -6.6407 -9.587 0.8314 -0.1549 2.251 9.29276 -1.82523 4.3520077888 10.4220399852 0.428603284
+N      0.90528202      0.04385392      0.11166023
+C      2.35887830      0.00833422      0.00685692
+C      3.14461991      1.03427852      0.84881353
+N      4.03507866     -0.04073027      1.41044003
+C      3.08149179     -1.08402957      0.86012262
+C      3.67010594     -2.21204133      0.17155137
+C      4.18091165     -3.13571896     -0.43131263
+H      0.49443470     -0.69814541     -0.46231665
+H      0.55256171      0.92499650     -0.27248078
+H      2.75261857     -0.02614516     -1.02712624
+H      2.52673344      1.47091090      1.64977528
+H      3.66057449      1.83830308      0.30623560
+H      4.89992751     -0.08580114      0.86235032
+H      2.41882875     -1.42926354      1.67270874
+H      4.63083258     -3.95721177     -0.95037835 
+
+17
+-1681.3014200333455 11.014165 11.87875 -8.3008 -6.2075 -9.629 0.8201 -0.1327 3.127 9.087 -2.78366 7.8709660422 11.6208606192 0.165042926
+N      1.22408901      0.23596477      0.50303424
+C      2.51968910     -0.08727946     -0.11894305
+C      2.45672077     -1.48765111     -0.80074817
+N      3.32084096     -1.46068118     -1.99819603
+C      3.38677330     -0.05355723     -2.38933128
+C      2.08760206      0.68580598     -2.54390613
+C      2.89100461      0.84234394     -1.26347472
+H      1.25824697      1.17795517      0.90080462
+H      1.05181008     -0.39440466      1.29158228
+H      3.36215543     -0.07129294      0.60526158
+H      1.41043087     -1.66814428     -1.09614432
+H      2.75731687     -2.30766762     -0.13349456
+H      4.26621948     -1.74387783     -1.72577291
+H      4.23133153      0.21332839     -3.02575792
+H      2.08381233      1.53176516     -3.23166796
+H      1.14634121      0.13664064     -2.49751885
+H      3.36559542      1.79872227     -1.03598683 
+
+17
+-1684.156734487711 11.698769 12.3052 -8.7847 -6.6668 -9.188 0.8703 -0.3767 1.368 8.59255 -0.70817 6.3334404534 6.3334404534 0.38435531
+N      0.95320944      0.08233040      0.14168923
+C      2.41634019      0.03425065      0.03000806
+C      3.12692205      1.15008558      0.83825143
+N      4.45896900      0.63058335      1.18584670
+C      4.21701077     -0.79846826      1.47379041
+C      3.03150966     -1.22839495      0.61967329
+C      2.60325634     -2.48023879      0.42731882
+H      0.54897306     -0.81252639     -0.14284284
+H      0.57648442      0.78332635     -0.50087029
+H      2.76886708      0.10554183     -1.02317633
+H      2.54768103      1.32510985      1.76080158
+H      3.20990944      2.10325045      0.29795048
+H      5.05828702      0.69421756      0.35781020
+H      5.12188415     -1.39748694      1.30008443
+H      3.95435496     -0.90329675      2.54218044
+H      1.73612904     -2.70978934     -0.19726624
+H      3.10239234     -3.33342461      0.89133063 
+
+17
+-1688.0944003314576 11.640162 12.14825 -8.5757 -6.4741 -9.095 0.8814 -0.1987 1.386 8.58663 -0.7464 6.2374628908 6.2374628908 0.339888172
+N      0.98971625     -0.00681186      0.39924383
+C      2.43674839      0.04039857      0.11309116
+C      2.75887182      1.29158880     -0.72482080
+N      4.10695795      1.28774010     -1.29771813
+C      4.32993814      0.12375253     -2.16558278
+C      3.68922626     -1.15600267     -1.69233186
+C      2.83846905     -1.19417229     -0.65842235
+H      0.73402325      0.77772091      1.00561891
+H      0.76981475     -0.85467294      0.92950123
+H      3.04925833      0.08434547      1.04325785
+H      2.02509630      1.34339763     -1.54661123
+H      2.63639263      2.20410542     -0.11890030
+H      4.79114388      1.26536500     -0.53690035
+H      5.41714482     -0.01506641     -2.28426066
+H      3.95059488      0.35726324     -3.18017622
+H      3.92206502     -2.06900024     -2.24921926
+H      2.38986829     -2.14356127     -0.34778905 
+
+15
+-1550.820545306132 10.751541 11.42498 -8.8476 -6.8864 -9.937 0.8258 -0.1038 1.118 9.24475 -0.47779 5.0646545196 6.4335591484 0.124503293
+N      1.08298883      0.01391321      0.01557777
+C      2.35939887      0.00326807      0.08114071
+N      3.28547152     -1.06522685      0.27032592
+C      4.58410722     -0.36040258      0.05578706
+C      4.28982727      0.61492303     -1.12216733
+C      3.28333038      1.19923417     -0.06375640
+C      4.38321387      0.85355659      0.99679209
+H      0.70367171     -0.93825126      0.12522997
+H      3.12325972     -1.88005577     -0.32307881
+H      5.45481783     -1.02434814      0.10402092
+H      3.87338597      0.19456485     -2.04914557
+H      5.11655294      1.30541891     -1.33788683
+H      2.80466655      2.17848394     -0.15250968
+H      5.22129485      1.56086767      0.96596845
+H      4.06419247      0.64454416      2.02640173 
+
+15
+-1565.2759976021791 10.893761 11.48775 -8.4979 -6.5525 -9.483 0.8573 -0.0446 1.158 8.68599 -0.53311 4.9351511426 8.4168640016 0.247019608
+N      1.22503189      0.04292012      0.60162647
+C      2.33443681     -0.04160599     -0.04698493
+N      2.69841150     -1.17605008     -0.75937944
+C      4.13541813     -1.26612090     -1.00259884
+C      4.60171280      0.17701780     -0.85566018
+C      3.86897991      1.21941816     -1.65054721
+C      3.45320718      0.94343367     -0.21490534
+H      1.11810565      0.98757345      0.98699882
+H      2.13360193     -2.01098107     -0.63219900
+H      4.64510632     -1.90305715     -0.25571090
+H      4.34431651     -1.67718649     -2.00433344
+H      5.63506583      0.35953688     -0.56328085
+H      4.39169571      2.15865560     -1.83259755
+H      3.18971785      0.89957745     -2.44270049
+H      3.60036198      1.70381855      0.55072289 
+
+15
+-1570.2123987996695 11.643743 11.65916 -8.5588 -6.6957 -9.156 0.7513 -0.8725 0.055 8.50034 0.43597 4.7535736456 5.3950524124 0.530777965
+N      0.87882517     -0.06199672      0.10230174
+C      2.17057293      0.03771266      0.06179915
+N      2.92243744      1.18774819      0.30973823
+C      4.28016091      1.28743958     -0.23797317
+C      5.08907108      0.05131874      0.15167034
+C      4.30216750     -1.19771382     -0.12900033
+C      2.95896665     -1.18188583     -0.18845110
+H      0.44492811      0.85240711      0.30002602
+H      2.38100679      2.04920139      0.27207928
+H      4.74636096      2.19843119      0.16310435
+H      4.26374012      1.37390841     -1.34245944
+H      5.35194893      0.08793023      1.22480181
+H      6.03992061      0.04478714     -0.40310161
+H      4.84516167     -2.13693934     -0.26032836
+H      2.37118113     -2.07947893     -0.37978691 
+
+18
+-1795.1794167718713 12.561549 13.65282 -9.1634 -6.9846 -9.25 0.9196 -0.0461 1.342 8.75085 -0.75103 6.4357537006 6.4357537006 0.437700939
+N      0.74013829      0.94886894      0.56241617
+C      1.74269887      0.81952878     -0.50623726
+C      3.05655255      1.43094145     -0.08270083
+C      4.05965547      1.88515215     -1.11268158
+C      3.31542960      2.92196639     -0.30625551
+C      3.96496829      3.74024908      0.74728363
+C      5.28167449      3.86904895      0.95918161
+H     -0.13680595      0.50744969      0.27717845
+H      0.53017312      1.93864479      0.71790149
+H      1.44081166      1.27116473     -1.47581889
+H      1.89020828     -0.25769921     -0.69481954
+H      3.46818545      1.02930882      0.84695033
+H      3.79211151      1.78479705     -2.16602548
+H      5.11553628      1.72023579     -0.89820800
+H      2.50541505      3.43425286     -0.83779680
+H      3.27435998      4.27105368      1.41366056
+H      6.02054608      3.38059125      0.31991267
+H      5.66287097      4.47187481      1.78395899 
+
+16
+-1639.04577765505 12.285077 13.6452 -9.319 -7.0918 -9.378 0.8981 -0.0788 2.265 8.99071 -1.84705 4.302004235 9.4313298522 0.600344731
+N      2.83001013     -1.05604874     -0.66435992
+C      2.38355976      0.06877670      0.17604064
+C      3.39055301      1.19521040      0.14960849
+C      3.45640674      2.12832846     -1.02269626
+C      2.90006628      2.63257525      0.30598807
+C      3.64277830      3.57134695      1.09484164
+C      4.27906730      4.36407463      1.76212908
+H      2.14845410     -1.81670998     -0.60801208
+H      3.70517861     -1.43610430     -0.29254500
+H      2.18701279     -0.20585408      1.23272824
+H      1.42943272      0.43463170     -0.23889705
+H      4.34040692      0.98566329      0.64978205
+H      2.74178241      1.97277568     -1.83164652
+H      4.42853462      2.51465034     -1.32661314
+H      1.81398840      2.75413833      0.34839224
+H      4.83662791      5.05987539      2.35433952 
+
+19
+-1812.835313044156 12.085373 13.49309 -9.2141 -6.9111 -10.522 0.9446 0.0032 3.208 9.97387 -2.93067 8.6559214082 11.0672631292 0.151292423
+N      1.42729764     -0.06530601      1.07576661
+C      1.88379891      0.50964978     -0.19953142
+C      3.08704199      1.39639752      0.02012379
+C      3.43207474      2.47583622     -0.97910003
+C      2.89724638      2.85033083      0.38919300
+C      3.80188730      3.51869160      1.39704918
+N      3.79590593      4.97795118      1.20474307
+H      0.62820541     -0.68289930      0.91652783
+H      1.09602298      0.68466524      1.68851298
+H      1.10930586      1.09506088     -0.73918745
+H      2.16310791     -0.32798169     -0.86083696
+H      3.93174870      0.89057280      0.49703207
+H      2.77588526      2.60669933     -1.84142084
+H      4.48997345      2.65557905     -1.18161609
+H      1.86489299      3.21425260      0.40523218
+H      4.80817960      3.05342042      1.32834970
+H      3.43129518      3.31594239      2.41625277
+H      4.17511229      5.19991791      0.27994539
+H      4.41390747      5.42470924      1.88599423 
+
+11
+-1284.4304780778402 9.941276 11.117 -11.2639 -9.038 -11.287 1.1085 -0.8002 0.705 10.9551 -0.55403 5.2814564392 11.2797255388 0.447501565
+N      1.00020532      0.06247026     -0.17265176
+C      2.16430367      0.03081762     -0.08827171
+C      3.59706570     -0.01353322     -0.00036129
+C      4.39700659     -0.74397481     -1.05593206
+C      4.41070552      0.76845052     -1.04684578
+C      5.58099423      1.47327480     -0.60397606
+N      6.53755587      2.03497763     -0.23964620
+H      3.99667946     -0.01071243      1.01461712
+H      3.84723064     -1.22158710     -1.86499954
+H      5.29466931     -1.25862396     -0.71784612
+H      3.83177370      1.27662071     -1.81917661 
+
+19
+-1815.8432837802416 12.024029 13.18791 -8.8651 -6.714 -10.189 0.8485 -0.0973 2.968 9.62899 -2.67959 8.2858727926 8.2858727926 0.077952064
+N      2.20017216     -0.45117633     -1.47626211
+C      2.40351900     -0.00612420     -0.08749582
+C      3.16724266      1.30558114     -0.03507330
+C      2.50748816      2.61066996     -0.55514998
+C      3.17936094      3.37340806      0.61831937
+C      3.35327593      2.01932264      1.34805789
+N      4.52820315      1.85961737      2.18987329
+H      1.65268848     -1.31478846     -1.49158416
+H      3.10365736     -0.67984023     -1.90020881
+H      2.92780839     -0.74903610      0.55274124
+H      1.40649682      0.14816743      0.36053476
+H      4.16306230      1.18123978     -0.50179416
+H      1.41322215      2.56790088     -0.44656092
+H      2.74374974      2.93001878     -1.57747053
+H      4.16051086      3.77767260      0.32248408
+H      2.61519488      4.16391456      1.13131946
+H      2.46421078      1.82125130      1.97239549
+H      5.37942768      1.93358119      1.62586517
+H      4.54233856      0.93565962      2.62814906 
+
+20
+-1957.828607822807 12.205069 13.5081 -9.1913 -6.8864 -10.575 0.9221 -0.0228 3.108 9.93738 -2.79937 8.6977294874 10.4383441442 0.136853258
+N      2.22104224     -0.26358260     -1.59501332
+C      2.42433958      0.04780579     -0.16916085
+C      3.09142144      1.40871572      0.01418278
+C      2.28780068      2.61066365     -0.50737519
+C      2.98789723      3.82784066      0.12352045
+C      3.56106571      3.32130602      1.48040995
+C      3.33918767      1.78777239      1.48641904
+H      1.72836250     -1.15478670     -1.68775734
+H      3.12999529     -0.39747123     -2.04775298
+H      3.01638080     -0.71762707      0.37514158
+H      1.43026722      0.07830585      0.31049280
+H      4.06850631      1.39081447     -0.50993704
+H      1.25085591      2.52702153     -0.13583816
+H      2.23524212      2.65135602     -1.60294125
+H      3.80743687      4.16742239     -0.52897285
+H      2.30805783      4.68295597      0.24706726
+H      4.63081158      3.56349153      1.56354077
+H      3.06481803      3.79798995      2.33788829
+H      4.17817277      1.23671063      1.93612816
+H      2.43782823      1.53701503      2.07228789 
+
+16
+-1696.931732983461 11.026388 12.3003 -11.1944 -8.9089 -11.612 0.7113 -0.3017 1.533 11.16845 -1.1129 5.362518486 10.7931300832 0.221892578
+N      0.96443368     -0.00167427     -0.06256920
+C      2.13159664      0.00121303     -0.03821304
+C      3.58818514      0.00385015      0.01384939
+C      4.18521446      1.14512083      0.87322161
+C      5.61639401      0.65600434      1.11628149
+C      5.45058200     -0.84857947      1.41189829
+C      4.19606826     -1.30386293      0.61653457
+H      3.94998762      0.12524107     -1.02141543
+H      3.63256952      1.21570124      1.82320072
+H      4.12213322      2.12001952      0.37182775
+H      6.21790392      0.80417275      0.20422595
+H      6.11824109      1.19752297      1.92986503
+H      6.34505902     -1.42603192      1.14134205
+H      5.28405643     -1.00072652      2.48849955
+H      4.43638481     -2.01548314     -0.18419549
+H      3.46373020     -1.79235766      1.27252676 
+
+14
+-1558.8236756612007 11.338326 11.99747 -9.5669 -7.5122 -9.29 0.361 -1.3376 -0.069 8.80309 0.59875 4.966011258 5.0851989998 0.247612685
+N      0.96269798      0.04061603      0.04931769
+C      2.13196980     -0.00899433      0.01500024
+C      3.55170291     -0.01538435     -0.02834179
+C      4.32825114     -1.11785023     -0.09535745
+C      5.78879564     -0.76649973     -0.06561865
+C      5.79750359      0.76157701     -0.31957138
+C      4.38147300      1.25538017      0.06153154
+H      3.94787097     -2.13911740     -0.12323370
+H      6.21294594     -1.02690293      0.92178789
+H      6.37543346     -1.32873252     -0.80811711
+H      5.97021840      0.94851979     -1.38955719
+H      6.58799442      1.28064199      0.23769521
+H      4.00783259      2.04709920     -0.60290832
+H      4.33733015      1.65302730      1.08976303 
+
+12
+-1421.5095053455666 11.483302 11.42245 -8.9321 -7.0333 -8.687 -0.4054 -2.0044 -0.561 8.19052 1.07905 4.1339536106 6.8886373628 0.555443596
+N      0.96563140     -0.04521094     -0.00057962
+C      2.13706936     -0.00104083     -0.00019118
+C      3.54887653      0.01322632      0.00048973
+C      4.36605418      1.11076312     -0.00468772
+C      5.75306438      0.67593567     -0.00173656
+C      5.79932739     -0.68211024      0.00519146
+C      4.40626246     -1.22928058      0.00723271
+H      4.02869659      2.14583384     -0.01011366
+H      6.60838135      1.34968544     -0.00472289
+H      6.69241665     -1.30372747      0.00880604
+H      4.20484864     -1.86674119     -0.87100559
+H      4.20391109     -1.85789314      0.89160728 
+
+12
+-1419.5864492988178 11.161542 11.46804 -9.0935 -7.1412 -8.83 -0.1821 -1.7925 -0.32 8.3504 0.95756 4.4573214972 6.8686136238 0.619885657
+N      0.95631755      0.01715921     -0.00199170
+C      2.12593320     -0.00593856     -0.00039499
+C      3.54833124     -0.00520477      0.00146330
+C      4.35321269     -1.10725312      0.00606359
+C      5.77832997     -0.65448709      0.00632606
+C      5.68288018      0.84301628      0.00129137
+C      4.38135922      1.21074692     -0.00154259
+H      4.02479624     -2.14363534      0.00903392
+H      6.32875267     -1.04093147     -0.87083036
+H      6.32665100     -1.03513638      0.88732116
+H      6.54354218      1.50831566      0.00017238
+H      3.97940388      2.22188865     -0.00533213 
+
+12
+-1413.1844666249117 10.668141 11.15732 -9.149 -7.1418 -8.831 0.1499 -1.4756 0.068 8.35188 0.46406 4.6507892516 7.2261644506 0.522324804
+N      0.96173839      0.00054682      0.13857977
+C      2.12466875      0.00025204      0.04550934
+C      3.58288617     -0.00011096     -0.06058067
+C      4.15081709      1.19016335     -0.81013096
+C      4.96253847      0.73168639     -1.78901575
+C      4.96226101     -0.73492086     -1.78796815
+C      4.15035344     -1.19168004     -0.80841987
+H      3.98972568      0.00055636      0.97112610
+H      3.92281182      2.22086261     -0.55116100
+H      5.53792079      1.34800337     -2.47864888
+H      5.53739893     -1.35244399     -2.47671092
+H      3.92194946     -2.22191509     -0.54797901 
+
+14
+-1554.626649767417 10.762173 11.56761 -9.6584 -7.4938 -9.412 0.7486 -0.296 1.029 8.90836 -0.39408 5.3536038926 6.1769577228 0.306566413
+N      0.99069043      0.00011569      0.22707763
+C      2.15331543      0.00005611      0.12318155
+C      3.60828811     -0.00002536     -0.00814180
+C      4.10994217     -1.25094670     -0.80940632
+C      4.57009443     -0.66963183     -2.12026728
+C      4.57013732      0.66883113     -2.12049703
+C      4.11001886      1.25062752     -0.80984725
+H      4.01945287      0.00015115      1.01203986
+H      3.31523554     -2.00230781     -0.92872219
+H      4.93719513     -1.74841179     -0.27608573
+H      4.88592302     -1.29579519     -2.95549649
+H      4.88600737      1.29467515     -2.95595056
+H      4.93729204      1.74822831     -0.27668080
+H      3.31533729      2.00197363     -0.92941361 
+
+14
+-1554.2951404096202 10.782795 11.6116 -9.8762 -7.7147 -9.454 1.3037 -0.3666 0.745 8.9454 -0.20893 5.3296250002 6.1061617168 0.244417948
+N      0.97423884      0.03907284     -0.10585919
+C      2.14046993      0.02109943     -0.05962831
+C      3.60647550     -0.00164893      0.00480433
+C      4.17193276     -1.30034904      0.66630096
+C      4.54823360     -0.89930528      2.11225469
+C      4.64095903      0.60326953      2.04675265
+C      4.13440646      1.10209025      0.91324612
+H      3.96953253      0.10756580     -1.03092642
+H      5.07489854     -1.59472691      0.11424819
+H      3.46046867     -2.13320796      0.61598551
+H      5.48759230     -1.37012217      2.43969375
+H      3.77660289     -1.20167617      2.84155294
+H      5.04483048      1.20794263      2.86003952
+H      4.04197847      2.15654597      0.65533528 
+
+18
+-1818.1711629702456 12.214873 13.12069 -8.7918 -6.5865 -8.635 0.9036 -0.1169 1.544 8.08353 -0.84876 5.922625241 5.922625241 0.315233456
+N      2.37092760     -0.44815800      1.48692793
+C      2.54817993     -0.01227881      0.08411103
+C      3.04520720      1.40095396      0.00370963
+C      4.18516898      1.82390459     -0.56668860
+C      4.37461931      3.31506525     -0.44536684
+C      2.97704196      3.80727490      0.00925892
+C      2.28189047      2.56192606      0.61183624
+H      2.02337000     -1.41032404      1.49697126
+H      1.63854002      0.11442793      1.92900100
+H      1.61462511     -0.08672681     -0.51626278
+H      3.28427037     -0.68187934     -0.38675031
+H      4.92473372      1.16486577     -1.02684478
+H      5.15450480      3.54317420      0.30480706
+H      4.70281996      3.78870425     -1.38434202
+H      2.41023514      4.14592842     -0.87128833
+H      3.02729906      4.65124141      0.71090560
+H      1.20300780      2.52935401      0.38309209
+H      2.37204857      2.53840626      1.71371291 
+
+16
+-1679.668918464722 12.139093 12.56387 -8.1207 -6.1206 -8.022 0.8563 -0.6399 0.719 7.53968 -0.13436 4.5009893664 7.1532606826 0.563906746
+N      2.58379516     -0.65822871     -1.32886283
+C      2.28684886      0.04751285     -0.06190039
+C      2.86051735      1.43121000     -0.03820344
+C      2.20235870      2.60391510      0.15588625
+C      3.15411137      3.71581930      0.15387146
+C      4.40602919      3.23427237     -0.04362312
+C      4.33171161      1.73950283     -0.18459489
+H      2.15619946     -1.58757722     -1.30162625
+H      3.59165471     -0.82219485     -1.40145352
+H      2.64673457     -0.50221744      0.83551331
+H      1.19228810      0.11873820      0.03292374
+H      1.12530377      2.70958869      0.29260974
+H      2.88201725      4.76319453      0.28492183
+H      5.32694737      3.81057201     -0.11009347
+H      4.72483394      1.40944166     -1.16381635
+H      4.93715860      1.21975070      0.58050794 
+
+16
+-1679.8357652266175 12.09908 12.60798 -8.2619 -6.2616 -8.185 0.931 -0.5877 0.695 7.64559 -0.14083 4.623499933 6.9377110216 0.573729258
+N      1.92808873     -0.36274022      1.41175904
+C      2.42198297     -0.00286800      0.06426718
+C      2.98504325      1.38844442      0.04073367
+C      4.28694707      1.75137475     -0.09123512
+C      4.39749491      3.24676803     -0.06150914
+C      2.97569369      3.70135274      0.10242653
+C      2.17263523      2.61158729      0.15733873
+H      1.43211036     -1.25666704      1.36041030
+H      1.23512945      0.32620801      1.71800140
+H      1.64269016     -0.07676538     -0.72331703
+H      3.21647455     -0.71591829     -0.20453816
+H      5.13540205      1.07644363     -0.19328159
+H      4.85483563      3.65289600     -0.98209542
+H      5.03971971      3.59456043      0.76809083
+H      2.67001090      4.74463268      0.15456187
+H      1.08640133      2.62426093      0.26105692 
+
+16
+-1678.0304289972444 11.974303 12.35262 -8.2671 -6.2307 -8.233 0.8236 -0.6721 0.685 7.75667 -0.13193 4.6527358318 7.1683001844 0.611047209
+N      2.98378124     -1.14621204     -0.55459172
+C      2.38776836     -0.01144627      0.16351345
+C      3.29818754      1.23015525      0.07389945
+C      2.79534333      2.42997529      0.83406012
+C      2.74564445      3.49602217     -0.00181162
+C      3.18084046      3.08269475     -1.33958144
+C      3.49804469      1.76507146     -1.31948498
+H      2.31071414     -1.91278136     -0.61472555
+H      3.78544772     -1.50836273     -0.03104201
+H      2.17911308     -0.21283213      1.23323062
+H      1.42555434      0.22996638     -0.31416019
+H      4.28922532      0.94464779      0.48682359
+H      2.53600736      2.41515584      1.89166394
+H      2.43506132      4.50684109      0.26334489
+H      3.22605467      3.74301834     -2.20574375
+H      3.83275199      1.14696617     -2.14905479 
+
+18
+-1816.992204808394 12.022096 12.89844 -9.0261 -6.7519 -8.934 0.9182 -0.0334 1.466 8.44611 -0.82698 6.1223542884 6.1223542884 0.303547373
+N      2.99251018     -1.04915958     -0.63623802
+C      2.49328925      0.06599010      0.18331095
+C      3.32771228      1.32730858     -0.03054327
+C      3.33563670      1.85870163     -1.49158473
+C      3.32055076      3.35718366     -1.32331219
+C      3.06403792      3.72141093     -0.05908178
+C      2.85806636      2.52720537      0.83984885
+H      2.39097808     -1.86735509     -0.51647421
+H      3.92047353     -1.32961311     -0.30568377
+H      2.45553455     -0.15606041      1.27054900
+H      1.45581610      0.27438928     -0.13205135
+H      4.37231211      1.10057081      0.25070772
+H      2.44381343      1.51245214     -2.04607001
+H      4.20199138      1.49691561     -2.06549642
+H      3.46460771      4.05004299     -2.15462596
+H      2.96696092      4.75051757      0.29151182
+H      3.41279351      2.60012943      1.78895725
+H      1.78954523      2.43119008      1.11419612 
+
+18
+-1817.2123100590736 12.174795 12.97904 -8.8961 -6.6711 -8.879 0.9482 -0.0433 1.489 8.38218 -0.84147 6.0979290464 6.0979290464 0.314093687
+N      2.48285590     -0.40524314     -1.61393766
+C      2.46357625     -0.00241438     -0.19897067
+C      3.28674824      1.27282285      0.01974500
+C      3.36420389      1.71225442      1.50529466
+C      3.37600598      3.26062901      1.48325303
+C      2.77726735      3.58154631      0.13443718
+C      2.73435479      2.50453891     -0.66288441
+H      1.85852063     -1.20109838     -1.76021906
+H      3.42072365     -0.72828217     -1.86765299
+H      2.83224090     -0.78381185      0.49817025
+H      1.41653503      0.20559753      0.07884047
+H      4.30823830      1.07540950     -0.36880267
+H      4.22640703      1.28167083      2.03333582
+H      2.45465081      1.36495906      2.02357838
+H      4.40398590      3.66187781      1.55404859
+H      2.81488700      3.70166602      2.32220523
+H      2.46026705      4.58628561     -0.15180586
+H      2.38000131      2.48241206     -1.69384528 
+
+19
+-1827.74808925105 11.844115 12.91564 -8.5981 -6.4872 -10.043 0.8807 -0.0797 3.214 9.2994 -2.91224 8.1683712604 11.4988583952 0.124634701
+N      2.12421203     -0.31475742     -1.40695672
+C      2.30798119      0.12577927     -0.01605565
+C      3.11905091      1.42021335      0.03457811
+C      2.43682607      2.63970257     -0.63492729
+C      2.72203604      3.83440578      0.31378679
+C      3.73089096      3.27143988      1.32560871
+N      3.32056110      1.86558084      1.42378254
+H      1.53054089     -1.14616853     -1.43361146
+H      3.02540387     -0.59655767     -1.80337559
+H      2.79904495     -0.62709253      0.63655896
+H      1.31672119      0.32805695      0.42070502
+H      4.09348882      1.23827792     -0.47870966
+H      1.35813522      2.45769008     -0.74492974
+H      2.83579355      2.80400413     -1.64426964
+H      3.11451258      4.71495783     -0.21390180
+H      1.80335890      4.13853642      0.83571100
+H      4.76461895      3.39296791      0.93324078
+H      3.68073801      3.76341198      2.30827092
+H      4.02172477      1.29662124      1.90288473 
+
+15
+-1562.905915976106 10.563052 11.71859 -9.1878 -7.0765 -10.385 0.6404 -0.4043 1.509 9.63638 -1.09414 5.3979040904 11.795656082 0.346828837
+N      0.97363971     -0.03393518     -0.08777614
+C      2.13856273     -0.02341363     -0.02959611
+C      3.60727899      0.01135279      0.00406885
+C      4.16889705      1.16613275      0.85921518
+C      5.60305796      0.68819233      1.11281678
+C      5.44211489     -0.83045223      1.31393739
+N      4.16660391     -1.19122284      0.64436667
+H      3.94334066      0.15024827     -1.04528917
+H      3.60036102      1.23044328      1.79825673
+H      4.10184445      2.13138321      0.34263511
+H      6.22799236      0.89655131      0.23039643
+H      6.06816820      1.18266159      1.97583787
+H      6.29525851     -1.38847554      0.89703572
+H      5.37614834     -1.08138813      2.38586433
+H      4.27086122     -1.95662798     -0.01921964 
+
+11
+-1314.9903077710544 10.929215 10.83144 -8.734 -6.9146 -8.491 0.652 -1.0013 -0.265 7.99474 0.73296 4.2469296538 6.2141907186 0.315696241
+N      0.93345838     -0.08975679     -0.00837914
+C      2.10320045     -0.02008678     -0.00398832
+C      3.51150763      0.05497030      0.00129783
+C      4.36344844      1.16036700      0.00413783
+C      5.68988031      0.67080379      0.00934760
+C      5.62655466     -0.71664606      0.00959615
+N      4.30789877     -1.08114309      0.00471957
+H      4.03841451      2.19548002      0.00253543
+H      6.59969136      1.26238597      0.01258888
+H      6.41278673     -1.46389903      0.01285254
+H      3.95201875     -2.03123533      0.00372162 
+
+15
+-1575.2075157938077 11.649734 11.97352 -7.7681 -5.8268 -7.738 0.7616 -0.1655 1.129 7.24236 -0.52299 4.6724620044 6.3054444146 0.425059055
+N      1.79760547     -0.40708076     -1.14382954
+C      2.73467370     -0.08723272     -0.05944498
+C      3.05792108      1.37737018     -0.05428102
+C      2.29635244      2.48564059     -0.39526646
+C      3.08992932      3.64681204     -0.16552433
+C      4.31801883      3.22569022      0.31260016
+N      4.28635044      1.84707418      0.36998832
+H      1.56754297     -1.40250931     -1.12529223
+H      2.23605019     -0.21319657     -2.04792379
+H      3.69004129     -0.65717053     -0.09135601
+H      2.24206546     -0.37127674      0.88842226
+H      1.27789874      2.44457591     -0.76866326
+H      2.79798562      4.67914680     -0.33545326
+H      5.20388783      3.77990810      0.60404445
+H      5.05115663      1.25906862      0.68207969 
+
+19
+-1826.3343808666252 11.783592 12.75195 -8.5986 -6.4395 -10.069 0.9183 -0.0214 3.139 9.3441 -2.82283 8.2796362968 11.193952024 0.129945171
+N      1.72170888     -0.21460568     -1.26429074
+C      2.30189572      0.18616111      0.02528367
+C      3.31016047      1.33029251     -0.14780024
+C      2.66816579      2.60291877     -0.77709606
+C      2.85727238      3.70538306      0.28193663
+N      2.93671494      2.94017223      1.53364478
+C      3.83929735      1.82539440      1.21721614
+H      0.98287514     -0.90527404     -1.11728183
+H      2.43340325     -0.67555076     -1.83803477
+H      2.80171838     -0.64297261      0.56798353
+H      1.48262177      0.54576640      0.66944748
+H      4.14823109      0.96583429     -0.76536880
+H      1.60425682      2.41217972     -0.97574550
+H      3.13147650      2.87678354     -1.73449396
+H      3.78733343      4.27749155      0.07066119
+H      2.02081322      4.41955172      0.31316520
+H      3.28840589      3.50692528      2.30763768
+H      4.89979568      2.14289031      1.11344284
+H      3.79275331      1.05027818      1.99865275 
+
+15
+-1564.581010081388 10.609898 11.56204 -9.3844 -7.3347 -10.456 0.5822 -0.4926 1.459 9.72709 -1.0476 5.3493635714 10.782132525 0.170514361
+N      0.98063121     -0.04928871      0.38814132
+C      2.13256750     -0.04596648      0.19585654
+C      3.57294244     -0.07736449     -0.01771307
+C      4.33136419      1.15742709      0.56918410
+C      5.46635617      0.52886926      1.42587907
+N      5.63077186     -0.86612941      0.98656506
+C      4.27455414     -1.30342042      0.66982364
+H      3.74133907     -0.13493808     -1.10488324
+H      3.66497891      1.79379843      1.16582050
+H      4.73267819      1.77107489     -0.24849387
+H      6.41695441      1.07262662      1.34770723
+H      5.17313429      0.52268316      2.48841254
+H      6.20042244     -0.88691154      0.13561015
+H      4.27379502     -2.19937867      0.03668691
+H      3.74414015     -1.54264165      1.60506311 
+
+13
+-1424.6406191644967 10.873934 11.31545 -9.5068 -7.3573 -9.383 0.1603 -1.5162 -0.154 8.91925 0.6671 4.9512941198 5.0818389792 0.258019604
+N      0.96562964      0.06972909      0.00275813
+C      2.13420191     -0.00405663     -0.02225968
+C      3.55044437     -0.02073308     -0.05455226
+C      4.34555458     -1.10712080     -0.10551339
+C      5.79117909     -0.68297520     -0.04697958
+N      5.77871663      0.78471350     -0.24391514
+C      4.40806611      1.24089016      0.05598857
+H      4.00333181     -2.14119732     -0.12266983
+H      6.21611458     -0.94375307      0.94258535
+H      6.42462822     -1.17751451     -0.79904331
+H      5.95967735      0.96683041     -1.23275649
+H      4.09353266      2.04181434     -0.62741658
+H      4.33697304      1.63909313      1.08458420 
+
+17
+-1684.3172869023908 11.682501 12.44288 -8.7431 -6.5249 -8.709 0.8492 -0.2025 1.481 8.18979 -0.80332 5.9202943042 5.9202943042 0.289811937
+N      2.36562704     -0.43495062      1.51282933
+C      2.49952759     -0.00666450      0.10313539
+C      3.03351232      1.39139768     -0.00030805
+C      4.16862355      1.80117617     -0.58401643
+C      4.34713311      3.29114864     -0.42557045
+N      3.05435340      3.78305968      0.11979528
+C      2.32948772      2.58673542      0.61673416
+H      2.01030167     -1.39376922      1.53927855
+H      1.65790207      0.13570455      1.98287530
+H      1.54273689     -0.05672990     -0.46182490
+H      3.19726768     -0.69868103     -0.39254636
+H      4.90811051      1.15054462     -1.05364723
+H      5.17149993      3.50696503      0.28246938
+H      4.59768176      3.81203148     -1.36370124
+H      2.51835898      4.16296587     -0.66194693
+H      1.25813040      2.64225645      0.35818295
+H      2.38896540      2.53530970      1.72190125 
+
+19
+-1813.5747082537218 11.994327 13.11144 -8.8972 -6.7012 -10.262 0.8811 -0.0668 3.033 9.69827 -2.77128 8.4213398962 11.1947083386 0.100311603
+N      2.07967999     -0.45517101     -1.40560084
+C      2.34004517      0.00585162     -0.03280428
+C      3.24965216      1.22474620     -0.02995722
+C      2.69958694      2.55020508     -0.63009226
+C      3.21794040      3.32897529      0.61183712
+N      4.37670000      4.16794448      0.30651156
+C      3.45382963      1.95334804      1.32933950
+H      1.41785947     -1.23437177     -1.39521872
+H      2.94300525     -0.82104941     -1.81675584
+H      2.77941244     -0.76793508      0.63272678
+H      1.37022531      0.29027248      0.41205107
+H      4.21806077      0.95233079     -0.48550348
+H      1.60277870      2.54099506     -0.70853556
+H      3.11025588      2.88185663     -1.59361179
+H      2.47118748      3.97116998      1.10328342
+H      5.10595497      3.60978743     -0.14810752
+H      4.78902698      4.52451929      1.17334953
+H      4.42566702      1.82991544      1.83026556
+H      2.65532147      1.71228945      2.04988296 
+
+11
+-1316.1264636009796 10.623797 10.80313 -8.8466 -6.9966 -8.636 1.0897 -0.5567 0.078 8.10882 0.47289 4.6309142958 6.3174958538 0.354086867
+N      0.90903760      0.07260061     -0.00924053
+C      2.07914566      0.04479621     -0.00478748
+C      3.49506325      0.00290917      0.00060131
+C      4.33983377      1.11167287      0.00410087
+N      5.62356617      0.64116977      0.00893015
+C      5.63105565     -0.74037120      0.00864176
+C      4.32184452     -1.16875374      0.00350644
+H      4.10975206      2.17065865      0.00346575
+H      6.45131996      1.22689437      0.01225121
+H      6.56140686     -1.29698361      0.01209138
+H      3.97539449     -2.19638310      0.00193912 
+
+15
+-1575.0445904430192 11.52026 11.93797 -7.8485 -5.9244 -7.885 0.8929 0.0076 1.101 7.34765 -0.5175 4.7779120974 6.1867526168 0.412736499
+N      1.71868268     -0.35893725     -1.12550356
+C      2.73533307     -0.12359869     -0.08539169
+C      3.14118852      1.32315551     -0.03759178
+C      2.36245544      2.40634531     -0.41698809
+N      3.09565429      3.55221788     -0.18978892
+C      4.33026007      3.22675306      0.32637782
+C      4.38577648      1.84761498      0.42886675
+H      1.42972152     -1.33938487     -1.10861439
+H      2.13454612     -0.19297725     -2.04625725
+H      3.65031577     -0.74093599     -0.19585141
+H      2.28362400     -0.41595038      0.87922135
+H      1.35757795      2.43785744     -0.82298752
+H      2.77954733      4.49320618     -0.39201535
+H      5.06042101      3.99224494      0.56699516
+H      5.23187575      1.27410913      0.79831887 
+
+10
+-1181.077993257183 9.807773 10.02914 -9.8801 -7.9945 -9.811 0.5829 -1.1624 -0.562 9.06936 1.07356 4.9228393328 10.7838931262 0.310486817
+N      0.94151669      0.13258098      0.00560671
+C      2.10959461      0.10187711      0.00189892
+C      3.52926475      0.00333502     -0.00246075
+N      4.30194410      1.11150408     -0.00790138
+N      5.55132445      0.61979134     -0.01068991
+C      5.61310119     -0.74353042     -0.00728337
+C      4.30440467     -1.18665624     -0.00184070
+H      6.32868207      1.27362181     -0.01495555
+H      6.55777793     -1.27681493     -0.00896661
+H      3.94691955     -2.20950876      0.00202265 
+
+12
+-1289.9850039222945 9.681567 10.12339 -9.1545 -7.1543 -9.617 1.0715 -0.7729 0.301 9.16468 0.30299 5.1405091544 11.9090908734 0.170214291
+N      0.96625697      0.06915593     -0.00948598
+C      2.13173330      0.00578476     -0.00254793
+C      3.60243966     -0.01968903      0.00989811
+C      4.18407923     -1.22858612     -0.76823561
+C      4.50225909     -0.56661900     -2.08971295
+N      4.47544291      0.71977186     -2.04896299
+N      4.19186962      1.12870280     -0.74406232
+H      3.93729004      0.00634219      1.05632582
+H      3.48336708     -2.06882220     -0.84529412
+H      5.10394458     -1.59285986     -0.28213028
+H      4.79387921     -1.08313861     -3.00267593
+H      3.61524830      1.97151728     -0.75835581 
+
+13
+-1433.819170147951 11.19581 11.37474 -8.25 -6.2873 -8.54 0.7852 -0.8271 -0.012 8.05669 0.53789 4.4680586848 4.4680586848 0.282808458
+N      0.95983688      0.04390400     -0.04499677
+C      2.13293327     -0.00154085     -0.05066066
+C      3.53904033     -0.00155537     -0.07280371
+C      4.34987089     -1.09558764     -0.05074357
+N      5.68556279     -0.76217668      0.04040603
+C      5.81816728      0.67814361     -0.28171774
+C      4.41451876      1.24455982      0.03216523
+H      4.04468824     -2.14033597     -0.04738334
+H      6.36750547     -1.40370436     -0.35711983
+H      6.05870867      0.80683978     -1.35185693
+H      6.61282704      1.14120491      0.31722872
+H      4.12111199      2.04102525     -0.66354714
+H      4.36611838      1.65626349      1.05422970 
+
+19
+-1811.8662321402371 11.878234 12.99869 -9.1196 -6.8625 -10.427 0.9331 -0.0061 3.012 9.87368 -2.64424 8.4810887496 12.4098703274 0.134136155
+N      1.30806196      0.26062641     -1.35698865
+C      2.09106297      0.13324844     -0.11871259
+C      3.20796641      1.17017236     -0.00436795
+C      4.06511763      1.01163066      1.23922068
+N      3.25798241      1.17040184      2.46201375
+C      3.89899953      1.66970405     -1.25165270
+C      2.95520356      2.57873319     -0.49362059
+H      0.40167177     -0.19339432     -1.23928235
+H      1.77366178     -0.22836315     -2.12441357
+H      2.54697415     -0.87039634      0.01209640
+H      1.41279883      0.27538588      0.73576151
+H      4.91838151      1.71694674      1.16720157
+H      4.49519442     -0.00562549      1.25681761
+H      2.91549476      2.13389955      2.51678984
+H      3.84288689      1.02511015      3.28780462
+H      3.55319407      1.30282366     -2.21871495
+H      4.97065218      1.87078169     -1.19736323
+H      3.38483810      3.40805365      0.07216358
+H      1.98676707      2.76809104     -0.95788296 
+
+12
+-1307.0294924814755 9.603274 10.14656 -9.4105 -7.3758 -9.86 1.1302 -0.5077 0.457 9.25555 0.13082 5.1629258232 11.6878378564 0.201188919
+N      0.95974410      0.02795508      0.02368595
+C      2.12661466      0.00576567      0.01453622
+C      3.59535810     -0.00585050      0.00304379
+C      4.19937286     -1.21428358     -0.80727756
+N      4.63878006     -0.66156308     -2.09557560
+C      4.56132637      0.61411329     -1.98539569
+N      4.15374188      1.13464341     -0.75229189
+H      3.94438861      0.00149167      1.04607580
+H      3.47058642     -2.02214817     -0.95170529
+H      5.06777963     -1.62693600     -0.27052321
+H      4.84941130      1.30778395     -2.77844527
+H      3.62528602      2.00601826     -0.74665726 
+
+10
+-1192.5770017016246 9.827647 10.03683 -9.4443 -7.4483 -8.914 0.8072 -0.8772 -0.035 8.45118 0.51759 4.7399351856 6.7494382806 0.362151219
+N      0.95036307     -0.00764363     -0.00645294
+C      2.11928333     -0.02125453     -0.00228354
+C      3.54037960      0.00025056      0.00270070
+C      4.34499626      1.12949970      0.00289956
+N      5.62891129      0.64511492      0.00862258
+C      5.55634664     -0.72893044      0.01160417
+N      4.30998851     -1.15367923      0.00817800
+H      4.11081057      2.18725260     -0.00041161
+H      6.47588283      1.20647421      0.01031927
+H      6.44230791     -1.35702415      0.01622382 
+
+10
+-1146.0374953866585 9.173438 9.54833 -10.7199 -8.6713 -10.512 -0.541 -2.3553 -0.478 10.19791 1.02751 4.8332098534 9.3472549456 0.238169228
+N      0.92939002      0.00018769      0.13819758
+C      2.09314728      0.00011772      0.05978494
+C      3.54476068      0.00002087     -0.04874612
+C      4.16085582      1.13842487     -0.83242440
+N      4.96446675      0.72436746     -1.74868476
+N      4.96448067     -0.72756152     -1.74728937
+C      4.16087171     -1.13987110     -0.83023725
+H      3.97382515      0.00100906      0.97349888
+H      3.98749004      2.19780545     -0.64321000
+H      3.98752188     -2.19889050     -0.63899949 
+
+12
+-1289.1923175305456 9.742342 10.21131 -9.0754 -7.0475 -9.517 0.9822 -0.8289 0.065 9.03145 0.44919 5.000603352 11.678737284 0.273928085
+N      0.96122289      0.00630737      0.01453068
+C      2.12795702     -0.00437147      0.01190388
+C      3.59483541     -0.00159519     -0.00968642
+C      4.23212513     -1.26437570      0.62676953
+N      4.50770575     -0.79689214      2.00291859
+N      4.68017237      0.57423540      1.99915109
+C      4.17434822      1.06845925      0.92175278
+H      3.91050340      0.13566336     -1.05446868
+H      5.16299891     -1.51178021      0.08738277
+H      3.56351243     -2.13292417      0.62588855
+H      5.27075138     -1.25908656      2.49539258
+H      4.10303709      2.14182006      0.76359465 
+
+10
+-1182.9821557790328 9.763963 9.96223 -9.7767 -7.8513 -9.528 0.6957 -0.9935 -0.354 8.93965 0.92876 4.8950540702 6.5286192146 0.298630624
+N      0.90501964      0.01909808     -0.00705319
+C      2.07482753      0.02656456     -0.00355541
+C      3.48991163      0.02193014      0.00066159
+C      4.33726119      1.13057428      0.00399828
+N      5.59469179      0.62942635      0.00740502
+N      5.64494159     -0.72627260      0.00658013
+C      4.36630480     -1.10167756      0.00247300
+H      4.12422154      2.19381549      0.00412669
+H      6.46557492      1.15181105      0.01040228
+H      4.10028538     -2.15417978      0.00092161 
+
+17
+-1667.2068590313818 12.211694 13.06025 -8.8004 -6.7288 -9.306 0.7732 -0.2406 1.247 8.81551 -0.66694 6.4613320124 6.4613320124 0.523902335
+N      1.14134715      0.58126580     -0.73558359
+C      2.44371051      0.03944502     -0.32186420
+C      3.46700832      1.13894779     -0.07417143
+N      3.51300616      2.31491998     -0.94877115
+C      3.06215967      2.47442896      0.46891481
+C      3.94325066      3.24404836      1.36711686
+C      3.52057043      3.95803309      2.41937101
+H      0.55145947      0.77004113      0.07652096
+H      0.63889053     -0.09583862     -1.30892904
+H      2.82237826     -0.58956577     -1.14448430
+H      2.39549423     -0.60972869      0.57347465
+H      4.45438069      0.76152577      0.21504771
+H      2.65364839      2.28323732     -1.51727049
+H      1.98740488      2.62495702      0.61902382
+H      5.01055453      3.20232837      1.12507372
+H      2.45973930      4.02436742      2.67524400
+H      4.21908685      4.49752706      3.05940665 
+
+15
+-1508.5415375806858 11.662639 12.74947 -9.1365 -7.0085 -9.575 0.7162 -0.3204 2.18 9.20353 -1.77318 4.350606747 10.611217824 0.439753768
+N      2.16596412     -0.17281521     -0.90122162
+C      2.70350549     -0.19997206      0.46685760
+C      3.57340352      1.01413415      0.75926575
+N      4.47724924      1.53800367     -0.26914981
+C      3.28009491      2.34364283      0.13223536
+C      3.49723189      3.57998230      0.83072810
+C      3.64072463      4.62544408      1.43260510
+H      1.24049787      0.25817294     -0.92220027
+H      2.05536454     -1.11921385     -1.26374348
+H      3.34067509     -1.09384520      0.56542620
+H      1.92680278     -0.27981289      1.25008172
+H      3.99527745      1.03437143      1.76890610
+H      4.20627552      1.07511565     -1.15062925
+H      2.45670091      2.35828030     -0.58912981
+H      3.78481202      5.54739186      1.95717830 
+
+10
+-1147.723980874741 9.465468 10.43592 -11.0741 -8.9646 -11.46 0.7593 -1.2034 0.508 11.17977 -0.28776 5.3078282614 11.5915007344 0.19375482
+N      1.00917451     -0.01734328     -0.25521995
+C      2.16783975      0.02694563     -0.11751684
+C      3.60038493      0.04125034      0.03318891
+N      4.45531111     -0.68796754     -0.92299900
+C      4.41021774      0.78496021     -1.00482919
+C      5.60003400      1.49891460     -0.60758949
+N      6.54329053      2.10163051     -0.27983194
+H      3.96369695      0.03073801      1.06328388
+H      3.88223078     -1.08352638     -1.67720174
+H      3.84564969      1.25623790     -1.81331464 
+
+13
+-1419.568326315794 10.392829 11.1308 -9.2829 -7.1156 -9.305 1.1117 -0.4272 0.792 8.92702 -0.2297 5.3855674834 11.615566417 0.286588276
+N      1.03648068      0.11529060     -0.57610328
+C      2.16194428      0.06096856     -0.27506004
+C      3.60094453      0.01477138      0.06679593
+N      3.94378948     -1.19489351      0.83664210
+C      4.80887306     -0.82165150      1.97494810
+C      4.69155707      0.67279198      2.03170238
+C      4.01681040      1.14992876      0.98325484
+H      4.14334207      0.09157717     -0.90030301
+H      4.35018776     -1.91759876      0.24738897
+H      5.86488300     -1.12682911      1.83447500
+H      4.45960270     -1.29707845      2.90904483
+H      5.11624219      1.27022428      2.83766319
+H      3.77971277      2.18925862      0.76526098 
+
+19
+-1815.2037024782771 11.855928 12.85437 -8.7965 -6.6227 -10.096 0.9062 -0.0798 2.991 9.63864 -2.69135 8.1655691768 11.0224545888 0.061667603
+N      1.96234978     -0.54827355     -1.29399848
+C      2.28055142      0.02905304      0.02355797
+C      3.11931649      1.29954294     -0.12023997
+N      4.31417804      0.97550739     -0.91550455
+C      2.35548012      2.60887162     -0.53664520
+C      3.07961612      3.36839488      0.60810077
+C      3.50483291      2.00267597      1.21451062
+H      1.17679003     -1.19588496     -1.21379111
+H      2.75711811     -1.10771444     -1.61431496
+H      2.83101607     -0.66550744      0.68964627
+H      1.33460334      0.28731160      0.52465243
+H      4.96056463      1.76930075     -0.91046412
+H      4.02359785      0.86060699     -1.89239749
+H      1.27148959      2.52752703     -0.36848550
+H      2.52306362      2.96121810     -1.56388995
+H      3.93777654      3.95666791      0.25206351
+H      2.46122752      4.01945872      1.24067517
+H      4.55130688      1.88212493      1.52995397
+H      2.85330092      1.68851852      2.04395064 
+
+17
+-1685.699699153767 11.750736 12.35252 -8.345 -6.1777 -8.687 0.9313 -0.0804 1.491 8.32896 -0.85967 5.9043745018 5.9043745018 0.243336539
+N      2.42504776     -0.41088241     -1.54971764
+C      2.42724753      0.05241461     -0.15372865
+C      3.31571229      1.30069733     -0.00316933
+N      3.40137473      1.72851215      1.41214984
+C      3.29620056      3.20207116      1.48308920
+C      2.75560963      3.57424266      0.13070383
+C      2.77352966      2.52294069     -0.69591593
+H      1.72531162     -1.14474336     -1.67356199
+H      3.32734623     -0.83749899     -1.77707027
+H      2.77042613     -0.70281538      0.58164569
+H      1.39967260      0.32951180      0.12809525
+H      4.31420829      1.04664972     -0.43105039
+H      4.25525661      1.39250582      1.85406000
+H      4.26978146      3.70366399      1.66721006
+H      2.62213648      3.51261050      2.30260568
+H      2.40648723      4.57817565     -0.11190055
+H      2.44555118      2.49712407     -1.73385482 
+
+12
+-1306.307997253272 10.043632 10.61994 -9.3222 -7.3055 -9.845 0.2277 -1.6192 -0.623 9.20852 1.00207 4.7851032854 11.2235350836 0.305597115
+N      1.08248453      0.14390590      0.13563711
+C      2.24416236      0.04347378      0.09006761
+C      3.67926756     -0.01634182      0.02106264
+N      4.32855057     -1.12149311     -0.13546522
+C      5.75325248     -0.73045905     -0.10298029
+C      5.78314764      0.81171383     -0.25979000
+N      4.41632177      1.15844882      0.18100154
+H      6.16699421     -1.04438491      0.87047813
+H      6.31240987     -1.25826650     -0.88657865
+H      5.94794377      1.11196510     -1.30895719
+H      6.53726464      1.29554550      0.37382584
+H      4.00027060      2.02580246     -0.15349151 
+
+10
+-1190.1345390474162 10.122534 10.06053 -9.3429 -7.4194 -8.829 0.262 -1.4716 -0.679 8.37351 1.12532 4.1090448232 6.5439562828 0.301684539
+N      0.95652672     -0.03924572      0.00630887
+C      2.12390589      0.03321352      0.00238252
+C      3.54175334      0.06106536     -0.00238693
+N      4.31682510      1.14389151     -0.00751123
+C      5.59922306      0.66504918     -0.01074549
+C      5.61244097     -0.71956364     -0.00739376
+N      4.29349890     -1.09611331     -0.00209461
+H      6.45306714      1.33606867     -0.01520661
+H      6.41859397     -1.44464666     -0.00834358
+H      3.92998491     -2.04518892      0.00143082 
+
+12
+-1294.2983701574376 10.566902 10.60547 -8.7905 -6.9044 -9.223 0.1489 -1.6288 -0.754 8.73663 1.16675 4.3875917708 11.4729453212 0.277393311
+N      1.04157818     -0.06281763      0.01722842
+C      2.21295503     -0.07816176      0.01767426
+C      3.62501803      0.00922821      0.00039453
+N      4.38707647     -1.05234087      0.02943548
+N      5.68397562     -0.64739639      0.10553995
+C      5.81769514      0.77667000     -0.28383508
+C      4.41362975      1.30950219      0.05024202
+H      6.32757260     -1.33084665     -0.28891880
+H      6.03386239      0.86690550     -1.36332447
+H      6.61908467      1.26256544      0.28588874
+H      4.05074210      2.06517190     -0.65610802
+H      4.36407000      1.73733007      1.06522297 
+
+10
+-1151.6580127646787 9.747811 9.80808 -10.6048 -8.598 -10.179 -1.0975 -2.884 -1.141 9.85053 1.59615 4.462504112 9.7566567176 0.302901179
+N      0.95538984      0.14747346     -0.00071903
+C      2.12442633      0.12836532     -0.00045831
+C      3.54303430      0.02821942      0.00042040
+N      4.32260363      1.07606170     -0.00722409
+N      5.68007612      0.61898255     -0.00374918
+C      5.68035548     -0.67731974      0.00578764
+C      4.30870965     -1.25923476      0.00994296
+H      6.61605005     -1.23780037      0.00997068
+H      4.09887876     -1.88874437     -0.87025866
+H      4.09870584     -1.87582321      0.89919758 
+
+19
+-1811.3926221538827 12.105656 13.5171 -8.6739 -6.4985 -9.958 0.8915 -0.0508 3.092 9.50283 -2.75555 8.103786953 11.3848160724 0.150207613
+N      1.23465218      2.81623299     -1.63278184
+C      2.54883242      2.98224625     -0.99198287
+C      3.23452187      1.62590642     -0.81043115
+C      4.61213776      1.73300739     -0.19427814
+C      5.63699728      0.63138663     -0.40458512
+C      5.84121364      1.96834802     -1.05996210
+N      6.97244525      2.78805911     -0.67491860
+H      0.79751332      3.72953836     -1.77522171
+H      0.61034821      2.29928574     -1.00686555
+H      2.50984920      3.49909237     -0.00969681
+H      3.16783040      3.61052735     -1.65371225
+H      3.29804004      1.13057125     -1.79374617
+H      2.59508087      0.97810692     -0.18179180
+H      4.64879244      2.21233329      0.79009679
+H      5.36146180     -0.21946456     -1.03016273
+H      6.29014285      0.37678969      0.43293218
+H      5.65228278      1.99744364     -2.13830154
+H      7.27644231      2.55197165      0.27213505
+H      6.70728537      3.77662750     -0.66020564 
+
+20
+-1939.5349326828446 12.424566 13.95279 -9.2386 -6.9061 -10.619 0.9484 0.0128 3.026 9.98458 -2.74568 8.757193173 10.0731681784 0.145590364
+N      1.08986197      1.98664064      0.36621324
+C      2.48447481      1.97975446     -0.10727698
+C      3.37752186      1.19946332      0.85769989
+C      4.83000770      1.11480398      0.41110425
+C      5.71842134      2.39479910      0.40986366
+C      6.90602256      1.52209899      0.89537427
+C      5.87510117      0.45809067      1.35791929
+H      0.50057353      2.49795551     -0.29505577
+H      1.03241888      2.50186105      1.24946319
+H      2.91158179      2.99287877     -0.25731316
+H      2.49886185      1.48319534     -1.09217789
+H      2.95887197      0.18652312      0.98175462
+H      3.33895060      1.67809550      1.85446773
+H      4.88774929      0.63294508     -0.58105513
+H      5.39153325      3.09477580      1.19579900
+H      5.83291808      2.95052165     -0.53139283
+H      7.50922637      1.15754464      0.05106359
+H      7.58083530      1.94709704      1.65092683
+H      6.11621860     -0.60321687      1.20511466
+H      5.59268908      0.60775219      2.41204754 
+
+16
+-1678.4576793126575 11.152907 12.57688 -11.0604 -8.8001 -11.624 0.7986 -0.1899 1.461 11.22425 -1.08732 5.3800501064 12.4980243734 0.180560564
+N      3.25389112     -0.88601797     -2.43041369
+C      3.38712506     -0.49192001     -1.34041403
+C      3.57068113      0.02488206      0.01332962
+C      4.32445183      1.36013757      0.04153834
+C      3.64024092      2.63437433     -0.52283591
+C      4.26685463      3.43145210      0.65363390
+C      4.46322550      2.08741860      1.40597582
+H      4.11243726     -0.73360582      0.60192544
+H      2.57704405      0.14227097      0.47675155
+H      5.31454846      1.22826134     -0.42200331
+H      2.54517849      2.57118293     -0.42644689
+H      3.88664504      2.93443729     -1.54942307
+H      5.22929980      3.88077324      0.37094487
+H      3.64764888      4.19830415      1.13664884
+H      5.38994586      1.93624692      1.97597903
+H      3.60481196      1.86809231      2.06026948 
+
+19
+-1809.267055873819 11.974481 13.33649 -8.7603 -6.6274 -10.229 0.9292 -0.0096 3.113 9.52099 -2.80797 8.3626821196 10.4031321202 0.158750234
+N      1.10243816      2.13821892      0.38366255
+C      2.46056691      1.91074798     -0.13735356
+C      3.39763102      1.46681430      0.98502987
+C      4.80092196      1.13889766      0.49956512
+C      5.74208986      2.27336224      0.01067743
+C      6.85551839      1.53808134      0.79103234
+N      5.79670949      0.83996956      1.57242399
+H      0.48487008      2.43810622     -0.37423005
+H      1.12005349      2.91100608      1.05525644
+H      2.89853680      2.79425418     -0.64711302
+H      2.39569048      1.11122815     -0.89497038
+H      2.96166087      0.58464211      1.48298838
+H      3.47440590      2.25759704      1.75171502
+H      4.75269953      0.33820112     -0.26843208
+H      5.48332275      3.23822911      0.46976487
+H      5.87407643      2.40066359     -1.07029679
+H      7.44345052      0.87400986      0.13017762
+H      7.54760218      2.14192173      1.39786704
+H      5.96597519     -0.15544117      1.73772521 
+
+15
+-1548.3679558456422 10.690604 11.92325 -9.3846 -7.2365 -10.609 0.7354 -0.2579 1.425 9.89199 -1.0445 5.380000512 10.8130298362 0.14350412
+N      3.15728870     -0.94253023     -2.38948654
+C      3.33205941     -0.52747796     -1.31318614
+C      3.56644681      0.02619366      0.01568739
+C      4.34726300      1.34950605     -0.03076218
+C      3.64370695      2.61943042     -0.56991185
+C      4.25352709      3.34231168      0.65499977
+N      4.46782675      2.01058894      1.29336383
+H      4.12060765     -0.71423762      0.61452697
+H      2.60185314      0.19399384      0.51911381
+H      5.31455775      1.18350990     -0.54145155
+H      2.54975465      2.54157572     -0.51156657
+H      3.93435491      2.96809704     -1.56647126
+H      5.18716335      3.87249259      0.39655874
+H      3.60286443      4.01835975      1.22885488
+H      5.37062541      1.89016622      1.75848071 
+
+19
+-1806.9218973933096 11.883321 13.12818 -8.7681 -6.548 -10.22 0.9111 -0.0288 3.095 9.54872 -2.79388 8.3681994966 13.3098847014 0.113213625
+N      0.83834408      2.30757140     -0.36329490
+C      2.27364534      2.31638884     -0.68980122
+C      3.03625875      1.34785634      0.21408005
+C      4.53323425      1.29913975     -0.07897509
+C      5.36361946      2.48946933      0.48306914
+N      5.72430798      1.65199508      1.65933795
+C      5.35383066      0.42216536      0.90640783
+H      0.33429444      2.94019951     -0.98900221
+H      0.70115841      2.67710954      0.58166936
+H      2.74178070      3.32078693     -0.62659572
+H      2.37874459      1.98694128     -1.73752017
+H      2.60003851      0.34208536      0.09350197
+H      2.88796923      1.63169477      1.27163160
+H      4.70522798      1.07958549     -1.14339542
+H      4.81850435      3.41426453      0.73603251
+H      6.21394540      2.74592531     -0.17533678
+H      6.70473822      1.70536920      1.94255961
+H      6.20081649     -0.08141417      0.40519019
+H      4.79494114     -0.32109384      1.49874131 
+
+15
+-1545.8190263470829 10.612757 11.76788 -9.2873 -7.0875 -10.576 0.724 -0.2578 1.46 9.87857 -1.08103 5.3815875328 10.4422621018 0.172193603
+N      2.98792391     -0.93190325     -2.30729216
+C      3.19374770     -0.48256439     -1.25049434
+C      3.47123730      0.10048695      0.05894941
+C      4.46582528      1.26970330     -0.01707727
+C      3.86161514      2.56745066     -0.61460901
+N      3.54321752      3.01269942      0.77021023
+C      4.55490064      2.06675932      1.31092199
+H      3.86254805     -0.69332621      0.71539969
+H      2.52251888      0.45065303      0.49684208
+H      5.41603595      0.93362056     -0.45007218
+H      2.98963738      2.46321863     -1.27934140
+H      4.63358610      3.17035319     -1.12575500
+H      3.71910317      4.00049849      0.96420929
+H      5.56325536      2.49748289      1.45103737
+H      4.25447761      1.55114742      2.23787130 
+
+19
+-1812.123012918644 11.99231 13.25518 -8.6654 -6.4664 -9.961 0.8924 -0.0577 3.083 9.5282 -2.7352 7.9429647124 12.6366903158 0.181282192
+N      2.02812097      2.65415475     -2.57739758
+C      3.32017309      2.78360478     -1.87725520
+C      3.56472970      1.55866798     -0.99366589
+C      4.88796284      1.59390251     -0.24593288
+N      4.96455512      2.68708366      0.71612591
+C      5.59109006      0.27229530      0.02244784
+C      6.14385721      1.25162321     -1.00119275
+H      1.89718584      3.45185503     -3.20417997
+H      1.26559047      2.71151906     -1.89559882
+H      3.41675813      3.69436761     -1.25834291
+H      4.11091331      2.83293900     -2.64406734
+H      3.51211895      0.65282091     -1.61750495
+H      2.74369292      1.47202157     -0.25625805
+H      5.92577696      2.80624706      1.04302812
+H      4.40477976      2.45574793      1.54298471
+H      5.13808679     -0.65148231     -0.34267157
+H      6.13168784      0.17526664      0.96562726
+H      7.05864768      1.79172275     -0.74842737
+H      6.05496237      0.99532256     -2.05810858 
+
+20
+-1937.324147206798 12.414258 13.93001 -9.22 -6.8886 -10.63 0.9564 0.0173 3.112 9.98671 -2.80271 8.763082508 11.7412138294 0.294525176
+N      1.45569473      2.18807782      2.04727707
+C      2.87326526      2.09860841      1.66152415
+C      2.99964251      1.84218368      0.15930405
+C      4.44380377      1.73712848     -0.35279391
+C      5.24784533      3.01793900     -0.23359782
+C      6.09888081      3.29846738      0.98502958
+C      6.75420116      2.97977439     -0.33978753
+H      1.37692559      2.39439982      3.04562896
+H      1.00275446      1.27999195      1.90949846
+H      3.44040468      1.31441077      2.20781885
+H      3.34765308      3.06037693      1.91126103
+H      2.46599834      2.64437811     -0.37757206
+H      2.46921409      0.90435843     -0.08528265
+H      4.41739637      1.43107297     -1.41276329
+H      4.97324254      0.92917746      0.18403884
+H      4.76789971      3.89311318     -0.68352768
+H      6.13461753      2.53300108      1.76244063
+H      6.15804841      4.32225033      1.35671552
+H      7.25896199      3.78600980     -0.87297549
+H      7.22577964      2.00125001     -0.44917671 
+
+16
+-1676.951786875392 11.292576 12.96439 -10.6365 -8.4526 -11.551 0.8147 -0.1658 1.456 11.25776 -1.08649 5.3803972672 11.2653555614 0.295728624
+N      0.90647169      0.04950882     -0.12750182
+C      2.06944774     -0.00245889     -0.20504933
+C      3.52562514     -0.03898854     -0.28784963
+C      4.19230449      1.22943545      0.28827167
+C      5.70019348      1.15906950      0.19834334
+C      6.55312008      1.93335559      1.17324286
+C      6.48967548      0.42518255      1.25962565
+H      3.80758157     -0.17131446     -1.34481522
+H      3.88411707     -0.93136565      0.24931465
+H      3.88545779      1.35006834      1.33924822
+H      3.81581140      2.11162142     -0.25324404
+H      6.09281249      1.08742076     -0.82064017
+H      6.04159984      2.50724513      1.94760084
+H      7.47098522      2.39079326      0.80377935
+H      7.36564145     -0.14753046      0.95438542
+H      5.93423506     -0.00807284      2.09380819 
+
+14
+-1535.1281727831768 11.934602 12.66751 -9.5528 -7.5557 -9.457 0.1296 -1.5215 -0.149 8.9647 0.67466 4.987584822 5.1352149522 0.311131292
+N      1.01163407      0.42914886     -1.08077927
+C      2.17997761      0.39695208     -1.00957415
+C      3.59823244      0.32935901     -0.95014152
+C      4.32847662      1.06421143     -0.08297598
+C      5.79852571      1.09590031      0.00836276
+C      6.70623647      0.37312346     -0.95704621
+C      6.60287126      1.87014869     -1.04265270
+H      4.07102241     -0.36123347     -1.65246674
+H      3.79392689      1.71976881      0.61169097
+H      6.17483700      1.21266126      1.02747593
+H      6.25434228     -0.21244700     -1.75769334
+H      7.61822615     -0.05913265     -0.54590617
+H      7.43389187      2.47962370     -0.68743304
+H      6.03620923      2.29310551     -1.87230053 
+
+12
+-1380.8110609145153 12.314841 13.13169 -9.8097 -7.7538 -9.598 0.3784 -1.3706 0.176 9.37748 0.15363 3.5246244136 7.5412128766 1.287340384
+N      0.97895060      0.04972485     -0.11270339
+C      2.15411387      0.03204492     -0.08152864
+C      3.51528169      0.01090768     -0.04479945
+C      4.73799093     -0.00841999     -0.01124099
+C      6.15977711     -0.03156713      0.02906667
+C      6.94136480     -0.74722749     -1.07359278
+C      6.96562067      0.74752523     -1.01126495
+H      6.58829464     -0.08030080      1.03283375
+H      6.35347959     -1.21850668     -1.86004708
+H      7.82283512     -1.30176326     -0.75337980
+H      7.86436487      1.24405590     -0.64688286
+H      6.39505611      1.30165678     -1.75530047 
+
+18
+-1795.1495685894372 12.411109 13.48732 -9.2316 -7.0733 -9.518 1.153 -0.0202 1.347 8.96844 -0.75817 6.675902184 6.675902184 0.43505004
+N      1.20272707      0.29093288      0.25614095
+C      2.59649598      0.01232610     -0.14177658
+C      2.59066517     -0.61883696     -1.51050973
+C      3.13167448     -1.80621767     -1.80295871
+C      3.36661412      1.32408158     -0.14977923
+C      3.99590084      1.82602570      1.13265103
+C      4.86426175      1.32429546      0.00027312
+H      1.19765483      0.76608709      1.16246197
+H      0.69222819     -0.58767670      0.37185510
+H      3.12470094     -0.67875322      0.55135205
+H      2.09128157     -0.03125115     -2.28893966
+H      3.62080289     -2.41323213     -1.03609304
+H      3.10989207     -2.21252155     -2.81533605
+H      2.93415085      2.08279755     -0.80772838
+H      3.91328131      1.19321729      2.01896773
+H      3.97450936      2.89697013      1.33660248
+H      5.43816178      2.05174541     -0.57396333
+H      5.35845681      0.35981019      0.12923025 
+
+16
+-1636.6092673681217 11.907737 13.2261 -9.3794 -7.1995 -9.727 0.9239 -0.1065 2.342 9.33014 -1.90341 4.3871702184 10.9902182288 0.30163143
+N      1.15625940      0.33030857     -0.00434924
+C      2.59754870      0.01367812     -0.09603960
+C      2.84873032     -0.79679126     -1.29298795
+C      3.05959622     -1.48279315     -2.27155062
+C      3.39338492      1.31160458     -0.12503541
+C      3.76835302      1.96972448      1.18382652
+C      4.83045138      1.32488544      0.32177665
+H      0.98268869      0.79921255      0.88854359
+H      0.61245190     -0.53583237     -0.00287814
+H      2.97068959     -0.57714723      0.77071983
+H      3.25052885     -2.07898076     -3.14030973
+H      3.11622311      1.96926332     -0.95145367
+H      3.49561837      1.45851658      2.10961761
+H      3.73337213      3.05786491      1.24060882
+H      5.52567078      1.96976133     -0.21525966
+H      5.26232260      0.38464489      0.66830099 
+
+18
+-1795.9390269660494 12.678801 13.86637 -8.9028 -6.8147 -8.926 1.1174 -0.07 1.414 8.41572 -0.75606 6.186715421 6.186715421 0.395385204
+N      1.68364820     -0.13928885     -1.22913995
+C      2.52802254      0.04733235     -0.03419910
+C      3.11402508      1.42891829     -0.01903885
+C      4.42676750      1.69284190      0.06286697
+C      5.06151230      3.03524141      0.06323322
+C      5.48020306      3.68612197     -1.24868811
+C      4.35296062      4.27084463     -0.43072706
+H      1.23516536     -1.05799293     -1.19971341
+H      2.27296611     -0.12801220     -2.06596749
+H      3.34346539     -0.69584943      0.07542253
+H      1.86869817     -0.07194976      0.84408735
+H      2.39003035      2.24700429     -0.09476954
+H      5.12292541      0.84698589      0.13937693
+H      5.77069193      3.19275650      0.88183853
+H      5.21056960      3.16135874     -2.16600105
+H      6.43452746      4.21311636     -1.28039515
+H      4.53071030      5.20634045      0.10040794
+H      3.34199063      4.15900037     -0.82349374 
+
+18
+-1795.8904287444882 12.414464 13.40747 -8.9813 -6.875 -9.031 1.0327 -0.111 1.423 8.39675 -0.76148 6.274745481 6.274745481 0.382372847
+N      2.44313544     -0.40181919      1.55909031
+C      2.16684697     -0.03626434      0.15665573
+C      2.82506117      1.28464297     -0.19109044
+C      2.08468548      2.33953365     -0.56842340
+C      4.31227211      1.28941306     -0.08872534
+C      5.15436069      1.09853440     -1.34572225
+C      5.17518102      2.41168637     -0.60202330
+H      2.09101242     -1.34255190      1.74877519
+H      1.93317634      0.23156187      2.18068556
+H      1.09000928      0.02308903     -0.09419587
+H      2.60661565     -0.82655204     -0.47633778
+H      0.99905651      2.26006520     -0.65413393
+H      2.52927371      3.30663803     -0.80777274
+H      4.67930661      0.75476621      0.79062103
+H      4.62098563      1.07153718     -2.29707179
+H      6.02628348      0.44593328     -1.28468618
+H      6.06571289      2.66530135     -0.02597752
+H      4.69044461      3.26472487     -1.07761729 
+
+16
+-1641.7715316086478 12.625578 14.36284 -9.0329 -6.8845 -8.975 0.8745 -0.1279 2.425 8.54815 -1.92442 4.106974257 9.087057926 0.375380518
+N      1.21614812     -0.22036506      0.55664556
+C      2.37530088      0.02755895     -0.32727471
+C      2.93291081      1.36155520     -0.13241370
+C      3.38492101      2.48396756      0.00742239
+C      3.92914071      3.79891677      0.18884279
+C      4.23180507      4.67729425     -1.02035022
+C      3.08203522      5.02868129     -0.12104431
+H      0.80188288     -1.12431764      0.31385142
+H      0.49949976      0.48687503      0.37137152
+H      2.15476108     -0.09664034     -1.40824448
+H      3.14777402     -0.72228937     -0.08336225
+H      4.61785160      3.90290898      1.03111482
+H      4.00495394      4.25544654     -1.99894739
+H      5.13506316      5.28587881     -0.97513830
+H      3.18555066      5.88105337      0.55052832
+H      2.07227109      4.84599565     -0.48701146 
+
+19
+-1806.758614942238 11.899686 13.22642 -9.2965 -6.9589 -10.703 0.9289 -0.022 3.021 10.31355 -2.72252 8.750249957 11.5709562542 0.197746392
+N      2.01160222      2.01498120      2.53942005
+C      3.32192435      1.99062980      1.87093033
+C      3.14933517      2.09378862      0.35436792
+C      4.46565990      2.08118065     -0.43468038
+C      5.33523882      3.29768327     -0.19978058
+C      6.44031710      3.32235093      0.79888273
+N      6.74356710      3.19317117     -0.64475859
+H      2.13590938      1.98889356      3.55389328
+H      1.48499437      1.17083460      2.29719039
+H      3.92923405      1.08905600      2.10002062
+H      3.89605785      2.85714134      2.23556060
+H      2.57618762      3.00892973      0.12900307
+H      2.52484832      1.25048740      0.01094550
+H      4.23914242      2.02273756     -1.51233887
+H      5.05299943      1.17881830     -0.19590572
+H      4.83241035      4.25765134     -0.37206950
+H      6.65265621      2.42412643      1.38521122
+H      6.66148572      4.26558660      1.30548931
+H      7.05937964      4.09761148     -1.00842138 
+
+15
+-1546.350330055834 10.80063 12.29511 -9.9303 -7.7806 -11.248 0.6778 -0.3184 1.457 10.62575 -1.09477 5.380744428 11.3699749482 0.273203273
+N      1.07538528     -0.12562201      0.38667992
+C      2.22218034     -0.11367562      0.17249089
+C      3.65565759     -0.07012160     -0.09289186
+C      4.27778469      1.31131571      0.19839959
+C      5.76120931      1.30919993     -0.08563869
+C      6.71787142      2.08648301      0.74636564
+N      6.60144982      0.62054572      0.92021698
+H      3.81831486     -0.35369414     -1.14551507
+H      4.15429288     -0.83004611      0.52915408
+H      4.11003884      1.56415546      1.25547951
+H      3.77792938      2.08188965     -0.40861829
+H      6.03413765      1.17910113     -1.13973757
+H      6.34169926      2.67359992      1.58771019
+H      7.60845298      2.49246950      0.26094576
+H      7.39118571      0.15711944      0.46046892 
+
+13
+-1404.516956273282 11.745981 12.26522 -9.6602 -7.6094 -9.586 0.0092 -1.6286 -0.248 9.10169 0.75807 5.001471254 5.1796763318 0.330650255
+N      0.87947934      0.30950140     -0.87752405
+C      2.00634117      0.24238262     -0.56739440
+C      3.36431906      0.12708599     -0.16558185
+C      4.35257858      0.89185696     -0.67610294
+C      5.76330647      0.76529655     -0.29142724
+C      6.85369385      0.87424254     -1.32070931
+N      6.58468120      2.00094612     -0.42282678
+H      3.57600014     -0.63097183      0.59385025
+H      4.12206731      1.65338656     -1.42608108
+H      5.97083422      0.09855749      0.55136007
+H      6.58395199      1.04579101     -2.36499468
+H      7.73854189      0.25202505     -1.16357905
+H      7.27436478      2.02480953      0.33493108 
+
+11
+-1245.7096143817305 11.708788 12.45051 -10.0095 -7.9703 -9.845 0.2135 -1.5803 0.068 9.40229 0.26713 3.5740452332 7.7113960602 1.123271673
+N      0.94676687      0.01222819     -0.04919823
+C      2.12178478      0.00602592     -0.04400186
+C      3.48427248     -0.00313768     -0.03530642
+C      4.70559242     -0.00470251     -0.03030372
+C      6.13498213     -0.04054083     -0.00068004
+C      6.92338174     -0.76635721     -1.05487592
+N      6.85253804      0.69781540     -1.07991646
+H      6.56862681     -0.03107236      1.00404952
+H      6.37930889     -1.26138459     -1.86082080
+H      7.83934089     -1.26231200     -0.72437763
+H      7.70593495      1.10212767     -0.67965845 
+
+17
+-1664.2264378560983 11.897299 12.81509 -9.2644 -7.0537 -9.399 0.9399 -0.0402 1.368 8.8795 -0.78294 6.6152234356 6.6152234356 0.479891079
+N      1.02841513      0.27491621      0.11510278
+C      2.44883597     -0.04220974     -0.07741511
+C      2.69666714     -0.77607091     -1.37145029
+C      1.78516314     -1.02768850     -2.31769808
+C      3.24389718      1.25818893     -0.06589088
+C      3.78528091      1.83097576      1.19798128
+N      4.67995255      1.13494936      0.24590743
+H      0.90887334      0.75413383      1.01047156
+H      0.48762829     -0.59187366      0.17212626
+H      2.88037618     -0.66927178      0.73341033
+H      3.73249933     -1.10373090     -1.50444753
+H      0.75113805     -0.69326249     -2.21645920
+H      2.05540426     -1.56255146     -3.22917507
+H      2.93880333      1.96703107     -0.84290715
+H      3.63434104      1.29939803      2.14193831
+H      3.84474443      2.91873960      1.28489365
+H      5.21217973      1.82144666     -0.29671829 
+
+15
+-1505.4249328419708 11.414853 12.57926 -9.4917 -7.2538 -9.724 0.9167 -0.1266 2.305 9.34086 -1.88533 4.3883480854 11.1117865018 0.29974481
+N      1.14495249      0.24072219     -0.00362511
+C      2.59342915     -0.04848292     -0.07616418
+C      2.88442487     -0.82736142     -1.28206799
+C      3.12119300     -1.47847074     -2.27821049
+C      3.35333776      1.27498132     -0.08553295
+C      3.70384424      1.96112402      1.18838328
+N      4.73522411      1.23384992      0.41516584
+H      0.92746825      0.60210431      0.92873461
+H      0.61861946     -0.62828678     -0.11826429
+H      2.98131169     -0.62885913      0.78713115
+H      3.33049318     -2.05051022     -3.15892104
+H      3.12043685      1.90834662     -0.94668612
+H      3.45253003      1.49745286      2.14669843
+H      3.70791593      3.05392592      1.19349802
+H      5.31530899      1.89398406     -0.11044914 
+
+17
+-1666.1098846937036 12.53596 13.56475 -8.9296 -6.8058 -8.996 1.1146 -0.1109 1.29 8.50138 -0.64583 6.1844588758 6.1844588758 0.450635031
+N      1.97777275     -0.35996586     -1.54661502
+C      2.47762450     -0.06646389     -0.19141061
+C      2.94453776      1.35659826     -0.10708164
+C      4.16542054      1.73168205      0.30273041
+C      4.62087278      3.13181323      0.40229080
+C      5.51704079      3.59328824      1.50919477
+N      6.07330825      3.37155636      0.16393159
+H      1.60270594     -1.31063915     -1.58227292
+H      2.75631717     -0.32689498     -2.21012401
+H      3.29028131     -0.73531044      0.15723091
+H      1.62903608     -0.20932110      0.50125283
+H      2.21794162      2.11282655     -0.42641708
+H      4.90223601      0.97413453      0.59553117
+H      3.91776473      3.87935470      0.01979102
+H      5.84646673      2.87332811      2.26265231
+H      5.37979426      4.61440177      1.87493812
+H      6.18996880      4.26975160     -0.31566264 
+
+17
+-1665.491603974258 11.892083 12.73816 -8.9721 -6.8706 -9.087 1.0074 -0.1325 1.393 8.47482 -0.74379 6.3100442952 6.3100442952 0.398652638
+N      2.34009633     -0.53978060      1.32906036
+C      2.14869106      0.05653443     -0.00785308
+C      2.85637157      1.39031682     -0.10034444
+C      2.19573489      2.53494878     -0.32889961
+C      4.33872208      1.33705387      0.06929936
+C      5.26630823      1.54544679     -1.09019149
+N      5.09726529      2.59597976     -0.06741126
+H      1.94101789     -1.48064549      1.35080683
+H      1.82513551      0.01181365      2.02046579
+H      1.08977178      0.19529823     -0.29936994
+H      2.59673914     -0.63946988     -0.73900428
+H      1.11330680      2.54052211     -0.47101327
+H      2.73442857      3.48204335     -0.38387166
+H      4.67135056      0.61187359      0.81844787
+H      4.83659158      1.79398001     -2.06372454
+H      6.19567618      0.96973648     -1.11712972
+H      5.89339254      2.58275809      0.57702308 
+
+15
+-1508.3435518558645 12.113559 13.72317 -9.261 -7.014 -9.214 0.8684 -0.1895 2.311 8.7836 -1.81459 4.1563702794 11.9605078676 0.490131105
+N      1.28486699     -0.28626083      0.60810285
+C      2.34583217      0.03098950     -0.37016819
+C      2.84826534      1.38935133     -0.19655643
+C      3.22738316      2.53903230     -0.07441602
+C      3.71622155      3.87865470      0.10031704
+C      4.38096299      4.63207049     -1.01254450
+N      3.00450282      4.97678897     -0.62313442
+H      0.89662512     -1.20724096      0.38836818
+H      0.52043474      0.38554118      0.49745775
+H      2.03687377     -0.08253129     -1.43008933
+H      3.17403776     -0.68117142     -0.21187110
+H      4.08067624      4.10611981      1.10738302
+H      4.46675983      4.14798049     -1.98723182
+H      5.20336557      5.29973729     -0.74274859
+H      3.01483194      5.81174842     -0.02743845 
+
+18
+-1796.4576667164247 13.045732 13.77455 -9.3416 -7.1606 -9.533 1.4029 -0.0664 1.293 9.04265 -0.73796 6.5911701516 6.5911701516 0.506821885
+N      1.40608191      0.22911222      0.64983959
+C      2.49547896      0.47937383     -0.31547318
+C      2.12321279     -0.22289964     -1.64397794
+C      3.17973028     -0.12491202     -2.70350283
+C      3.77463094     -1.17095419     -3.28855727
+C      2.62976454      1.96830157     -0.49442573
+C      3.75893168      2.66189337     -0.31423681
+H      1.66031765      0.62288241      1.55932737
+H      1.29195986     -0.77871928      0.78830793
+H      3.47708908      0.07916632      0.01253578
+H      1.17824261      0.22460862     -2.00040773
+H      1.91330427     -1.28500181     -1.43102990
+H      3.47054493      0.88843814     -3.00197756
+H      3.51718972     -2.19895793     -3.01808840
+H      4.53408290     -1.03779037     -4.06056450
+H      1.70475118      2.48323585     -0.78037777
+H      4.68840638      2.16870922     -0.01725735
+H      3.79503031      3.74253367     -0.46088371 
+
+16
+-1638.2419656039017 12.544752 13.46446 -9.4261 -7.233 -9.578 0.9235 -0.1738 1.264 9.07206 -0.6961 4.3742384786 6.6660576956 0.382420993
+N      0.99276687     -0.00599123      0.22382344
+C      2.45616153     -0.02377925      0.00689709
+C      2.75074989     -0.74731857     -1.33383513
+C      4.21217641     -0.87960493     -1.63997926
+C      4.85352847     -2.04056607     -1.81522341
+C      2.96786885      1.34809482      0.00410802
+C      3.39796841      2.48306262      0.00737297
+H      0.78030436      0.55613834      1.05163045
+H      0.67951359     -0.95869191      0.42940953
+H      3.00666495     -0.56958436      0.80202334
+H      2.23503526     -0.17851711     -2.12493853
+H      2.28490589     -1.74526579     -1.28799074
+H      4.77098393      0.05936332     -1.71817775
+H      4.33095115     -2.99855449     -1.74546458
+H      5.92014044     -2.07437155     -2.04199256
+H      3.77329000      3.48609616      0.00766712 
+
+16
+-1640.2628904506646 12.412284 13.28764 -9.4963 -7.3159 -9.597 1.0976 -0.0965 1.283 9.05455 -0.71268 4.369452619 10.6925650386 0.532484217
+N      1.22759555     -0.20008319      0.30649226
+C      2.33803045      0.30970348     -0.52034290
+C      2.28242260     -0.44609546     -1.87592981
+C      3.39706671     -0.15485786     -2.76510089
+C      4.33554728      0.08169096     -3.49766095
+C      2.15398761      1.79054300     -0.70884753
+C      3.06969935      2.71436065     -0.40235739
+H      1.22065137      0.29176882      1.20315176
+H      1.37476682     -1.19112851      0.51675355
+H      3.34073450      0.13508360     -0.08121777
+H      1.32415224     -0.20995951     -2.36782558
+H      2.26436221     -1.53014134     -1.66705158
+H      5.15957421      0.29770984     -4.14619794
+H      1.18166444      2.08896758     -1.11806264
+H      4.04302157      2.43640804      0.00988224
+H      2.88269308      3.77709990     -0.56282483 
+
+14
+-1481.4301682622138 11.930561 12.99135 -9.5603 -7.3523 -9.718 0.829 -0.2385 2.106 9.43236 -1.91353 4.3746972268 10.6828445362 0.366509195
+N      0.97812792     -0.00877420      0.03089466
+C      2.45637559     -0.03081105      0.02263775
+C      2.91726811     -0.81170634     -1.24293466
+C      4.35086179     -1.05380325     -1.29617783
+C      5.54720928     -1.25594574     -1.32188831
+C      2.97408397      1.33636436      0.02857459
+C      3.39006797      2.47568243      0.04491723
+H      0.65397366      0.68156633      0.71146739
+H      0.63047616     -0.91857752      0.34514834
+H      2.89095777     -0.54772146      0.90229989
+H      2.58025702     -0.25314997     -2.12962874
+H      2.38181836     -1.77568830     -1.25127431
+H      6.60308107     -1.43030581     -1.35533370
+H      3.76801133      3.47764053      0.05257771 
+
+18
+-1797.6976524426698 13.553266 14.56144 -9.2062 -6.9901 -8.952 1.1718 -0.3136 1.015 8.44768 -0.58164 6.0516822684 6.0516822684 0.697477737
+N      1.85370966     -0.76415353     -1.10021865
+C      2.72787115     -0.36630289      0.01805720
+C      2.95964415      1.11633095     -0.00279677
+C      4.16691757      1.69777819     -0.01405517
+C      4.41428482      3.18454800     -0.01494413
+C      5.15364474      3.64198681      1.21678335
+C      6.35384527      4.23278200      1.21658437
+H      1.64299470     -1.76300548     -1.04080437
+H      2.34774252     -0.62186197     -1.98504967
+H      3.70643104     -0.88687411      0.04914812
+H      2.19732743     -0.63193259      0.94973858
+H      2.05476343      1.73565358     -0.02822643
+H      5.06312663      1.06459060      0.00143007
+H      3.44527571      3.70867765     -0.08073010
+H      4.99941369      3.46720931     -0.90724171
+H      4.64948932      3.44827601      2.17046307
+H      6.88798183      4.43549893      0.28427246
+H      6.84055632      4.53808854      2.14402978 
+
+16
+-1640.8492839841817 12.853507 14.15243 -9.3478 -7.1043 -9.093 1.0554 -0.2229 1.202 8.61615 -0.57986 4.3560373338 10.7033642192 0.832458954
+N      1.92574988     -0.78857833     -1.11549358
+C      2.90949887     -0.44539337     -0.07276664
+C      2.88241305      1.02997625      0.20138254
+C      3.95336601      1.83080480      0.14975876
+C      3.91892735      3.31763262      0.42321607
+C      4.84158228      3.72415736      1.48164945
+C      5.61954351      4.04310062      2.35718840
+H      1.88367948     -1.80313859     -1.23559841
+H      2.22946014     -0.40045452     -2.01236102
+H      3.94953530     -0.75676033     -0.29622599
+H      2.60676830     -0.98156235      0.84375425
+H      1.89773282      1.44673718      0.44369496
+H      4.93573254      1.41279816     -0.09660175
+H      2.89400509      3.62491862      0.68762982
+H      4.18219869      3.86932271     -0.49768225
+H      6.29992669      4.32945914      3.13280540 
+
+18
+-1797.3675363307964 12.991155 13.72694 -9.1789 -6.9474 -9.103 1.2682 -0.1881 1.045 8.45007 -0.5747 6.224779123 6.224779123 0.625203001
+N      0.34258330     -0.04491380      0.33128207
+C      1.76789943      0.03272573      0.00199953
+C      2.36246063      1.40692231      0.21645662
+C      1.68056485      2.41247149      0.78279410
+C      3.79542160      1.56980379     -0.25645505
+C      4.77190319      0.71237352      0.50859013
+C      5.58640404     -0.20068507     -0.03255348
+H      0.03089007     -1.01630971      0.28197467
+H     -0.20302905      0.47028037     -0.36462812
+H      2.01178239     -0.27673207     -1.03829003
+H      2.30745449     -0.68262629      0.64722033
+H      0.66045997      2.26591323      1.13931735
+H      2.13629139      3.39547740      0.91664397
+H      4.07980166      2.62923584     -0.14417778
+H      3.86813956      1.32469065     -1.33087697
+H      4.79084886      0.87367232      1.59290769
+H      5.59353115     -0.39114578     -1.10930238
+H      6.27719247     -0.78327391      0.57885733 
+
+16
+-1640.7257093937449 12.377357 13.32423 -9.2792 -7.0239 -9.226 1.0075 -0.1447 1.27 8.60053 -0.64245 4.3480774326 10.6238395988 0.459397203
+N      0.97479888     -0.23474150     -0.10443566
+C      2.42234946     -0.01829921     -0.01541194
+C      2.80254607      1.44236383      0.04674855
+C      1.90993673      2.43276350      0.16611486
+C      4.29741709      1.72549195     -0.01472242
+C      4.93440976      1.30324107     -1.26105881
+C      5.46355629      0.95326603     -2.29627785
+H      0.77229969     -1.23102151     -0.00521615
+H      0.64543167      0.03408095     -1.03559941
+H      3.00327387     -0.47978227     -0.83997490
+H      2.78166375     -0.50564115      0.90991711
+H      0.84547682      2.21172143      0.24871479
+H      2.22530928      3.47692098      0.20129661
+H      4.80124727      1.21160149      0.82517676
+H      4.46906707      2.80301751      0.13429270
+H      5.93068629      0.64928689     -3.21050424 
+
+18
+-1795.0643427965463 13.054633 13.78444 -9.1692 -6.9363 -9.297 1.2806 -0.2906 1.032 8.78964 -0.6884 6.3050972538 6.3050972538 0.493065538
+N      2.79117450     -0.72598917     -1.22049058
+C      2.50256161     -0.22040652      0.12484403
+C      2.99235891      1.24214319      0.26834593
+C      2.52080268      1.82733197      1.57602414
+C      1.71222780      2.88587977      1.69274052
+C      4.49814942      1.30195202      0.17499417
+C      5.18607725      1.84174195     -0.83811073
+H      2.46379933     -1.68986692     -1.30999915
+H      3.80378089     -0.74268520     -1.37193643
+H      2.94578189     -0.82016672      0.94861114
+H      1.41108536     -0.23119358      0.27158363
+H      2.55931892      1.81559264     -0.56819729
+H      2.88051027      1.32518714      2.48292274
+H      1.33931953      3.41670639      0.81300477
+H      1.39839127      3.25997766      2.66827334
+H      5.04383412      0.84834865      1.01248560
+H      4.67671464      2.30485162     -1.68664079
+H      6.27723160      1.84602513     -0.84970502 
+
+16
+-1638.6618952572971 12.539442 13.47268 -9.3094 -7.0621 -9.38 1.4049 -0.2021 1.115 8.94748 -0.54945 4.3183455898 10.6912755842 0.603521693
+N      2.78009332     -0.67199250     -1.24661285
+C      2.41086863     -0.00474533      0.00371881
+C      2.98307721      1.43742999      0.03334749
+C      2.50540461      2.18721006      1.25881101
+C      1.68862162      3.24379527      1.22083404
+C      4.44732501      1.40703307     -0.01957365
+C      5.66026402      1.34770734     -0.05011114
+H      2.37400648     -1.60940020     -1.27224309
+H      3.79704033     -0.79194963     -1.27959949
+H      2.74383086     -0.52489405      0.92470850
+H      1.31407463      0.07621693      0.04686943
+H      2.61553865      1.95033883     -0.87265372
+H      2.86569965      1.80491092      2.21952469
+H      1.32564895      3.65223149      0.27430245
+H      1.35803404      3.73851563      2.13505077
+H      6.73036199      1.31960217     -0.07991327 
+
+14
+-1478.120298811013 11.986384 13.19506 -9.4136 -7.1822 -9.527 0.8305 -0.1779 1.846 9.20917 -1.56258 4.327607344 10.8767586402 0.459477769
+N      1.01137272     -0.05915442     -0.31165244
+C      2.44770695     -0.03224778     -0.05451002
+C      2.97363548      1.44072087     -0.00184238
+C      2.41133722      2.18406920      1.12974533
+C      1.94888410      2.78731430      2.07419506
+C      4.44020359      1.46287222      0.01072177
+C      5.65268990      1.43427339      0.00180531
+H      0.58766258     -0.90090046      0.07697142
+H      0.81579580     -0.05684852     -1.31395093
+H      3.06160819     -0.56432994     -0.80369310
+H      2.64951323     -0.49345707      0.92208558
+H      2.63480826      1.93422714     -0.93310030
+H      1.53996295      3.31967642      2.90818271
+H      6.72343903      1.42451466      0.00380199 
+
+16
+-1641.70309919615 12.967735 14.5989 -9.2509 -6.9541 -9.086 1.0328 -0.149 1.23 8.68667 -0.66033 4.15787051 10.3587699294 0.61892311
+N      0.99736819     -0.14695822      0.13367773
+C      2.45888498     -0.05662907     -0.06596211
+C      2.92683949      1.32521629     -0.00367614
+C      3.32448163      2.47388385      0.02640024
+C      3.78858557      3.85977915      0.06034609
+C      2.67516905      4.86034480     -0.15426777
+C      2.39543993      5.86404777      0.68125111
+H      0.70325626     -1.11654307     -0.00969879
+H      0.52777068      0.40827504     -0.58672527
+H      2.81458231     -0.49847352     -1.02000518
+H      2.94322027     -0.63310427      0.74103251
+H      4.55225947      3.99613519     -0.72785213
+H      4.29126160      4.06741487      1.01973474
+H      2.08373932      4.72340156     -1.06505774
+H      2.96248410      6.01388434      1.60361722
+H      1.58927717      6.56855528      0.47354549 
+
+14
+-1483.1608914710316 12.265782 14.16754 -9.368 -7.0688 -9.218 0.8847 -0.1711 1.93 8.85446 -1.64809 4.175290543 10.4331243336 1.113961174
+N      0.98965555     -0.09825330      0.10030742
+C      2.45637788     -0.02760659     -0.05274387
+C      2.93487060      1.35160980     -0.00742673
+C      3.32926079      2.50006955     -0.00244701
+C      3.83037684      3.87626079      0.03039275
+C      2.78618351      4.89387593     -0.11006425
+C      1.94151336      5.75661738     -0.21803737
+H      0.69021702     -1.06697511     -0.03581596
+H      0.54776661      0.45060439     -0.64193678
+H      2.84022495     -0.49216830     -0.98471116
+H      2.90921259     -0.58829339      0.78303711
+H      4.57695919      4.01628038     -0.77136545
+H      4.36954837      4.04778067      0.97888369
+H      1.19248276      6.51671781     -0.30573239 
+
+18
+-1802.6045467041295 14.382573 14.72053 -8.4311 -6.4805 -8.326 0.7557 -0.8122 0.333 7.83649 0.23045 5.0636254358 5.0636254358 0.832322675
+N      0.74727885      0.05940538     -0.15805295
+C      2.20557725     -0.11615577     -0.08155883
+C      2.91183001      1.24952518     -0.09779545
+C      4.38822248      1.14296963      0.12031776
+C      5.33909564      1.51861530     -0.76023806
+C      6.76581805      1.39999986     -0.52473714
+C      7.71867295      1.77806659     -1.39855325
+H      0.28563827     -0.85100936     -0.09438749
+H      0.49293521      0.43896746     -1.07448873
+H      2.63339621     -0.74548103     -0.88761968
+H      2.43126546     -0.62388042      0.87077045
+H      2.45259540      1.86570116      0.69504737
+H      2.71013912      1.75802958     -1.05607170
+H      4.70830509      0.71340456      1.07860483
+H      5.03262335      1.94859992     -1.72224664
+H      7.06548125      0.97040032      0.43822071
+H      7.45984009      2.21140732     -2.36772616
+H      8.77876533      1.66633433     -1.17132506 
+
+16
+-1644.156981100719 13.558362 14.32962 -8.8473 -6.8106 -8.557 0.6938 -0.9059 0.546 8.14567 0.02571 4.0915627972 11.4204000544 0.485686782
+N      0.91458944     -0.14121227      0.02052088
+C      2.38404142     -0.16557541     -0.00563438
+C      2.93748013      1.26454656     -0.12040005
+C      4.42716791      1.32137890     -0.01060434
+C      5.25074780      1.78801365     -0.97317915
+C      6.66311709      1.84335772     -0.86922198
+C      7.87838622      1.90889143     -0.82003702
+H      0.55436770     -1.08737229      0.16312466
+H      0.55679607      0.16233365     -0.88955865
+H      2.81838795     -0.78056193     -0.81915317
+H      2.72862128     -0.60688066      0.94394265
+H      2.47711205      1.86021199      0.68735766
+H      2.61323419      1.71260856     -1.07499104
+H      4.87049545      0.94956642      0.91965599
+H      4.81964335      2.16193375     -1.90936205
+H      8.94586196      1.96902993     -0.76580002 
+
+18
+-1800.7503425588245 13.387936 13.66649 -8.6894 -6.66 -8.553 0.5566 -0.9657 0.291 7.9832 0.22793 5.226071893 5.226071893 0.723083518
+N      0.86994516      0.29577309      0.30472608
+C      2.29227060     -0.04783401      0.15667154
+C      3.12902459      1.22840946     -0.03711516
+C      4.61761866      0.96407203     -0.05235409
+C      5.30394681      0.89528790     -1.21416471
+C      5.32770025      0.75875974      1.21391368
+C      4.80522980      0.85504649      2.45046857
+H      0.32633880     -0.55010860      0.48999748
+H      0.51117071      0.67472292     -0.57637865
+H      2.51078719     -0.73870860     -0.68222224
+H      2.61235508     -0.55816412      1.07779001
+H      2.86682377      1.93781045      0.76371100
+H      2.83884969      1.70418888     -0.98806874
+H      4.81632079      1.05759420     -2.17691877
+H      6.37433511      0.67999667     -1.22782903
+H      6.39112683      0.51473005      1.11426258
+H      3.75586926      1.09966963      2.62478657
+H      5.42523689      0.69488381      3.33272389 
+
+16
+-1643.0763770218691 12.839821 13.50557 -8.9854 -6.8629 -8.775 0.6294 -0.9799 0.558 8.26229 -0.01225 4.058247759 6.041713794 0.441494237
+N      0.96890839      0.21774670     -0.10370975
+C      2.40218678     -0.09616410      0.00145540
+C      3.22824592      1.19111194     -0.13235557
+C      4.72163618      0.95701020     -0.02410775
+C      5.45574047      1.43365902      1.00366059
+C      5.33192530      0.19413241     -1.06569628
+C      5.81224772     -0.45175724     -1.97943718
+H      0.41662923     -0.62305928      0.07847913
+H      0.74682523      0.49860676     -1.06312287
+H      2.76397564     -0.83470477     -0.74014946
+H      2.58146635     -0.52874346      0.99889463
+H      2.90892153      1.90413094      0.64145170
+H      3.01100248      1.65105152     -1.11252024
+H      4.98636029      2.01985207      1.79494757
+H      6.52819458      1.25159159      1.06889397
+H      6.25057391     -1.02188431     -2.77271390 
+
+16
+-1647.4164867045415 13.772398 14.97218 -8.7859 -6.6794 -8.516 0.7779 -0.8131 0.593 8.07844 -0.04443 3.8134498006 11.653506133 0.619999307
+N      0.91964754      0.00996450     -0.01276894
+C      2.38697512     -0.03381303     -0.03935273
+C      2.94895699      1.40012479     -0.01028743
+C      4.40322103      1.44956286     -0.00253039
+C      5.62328787      1.49081845      0.00278739
+C      7.04118622      1.49377571      0.00904508
+C      7.81381969      2.59821549     -0.00289669
+H      0.54481551     -0.93227698      0.11299632
+H      0.56139242      0.34049285     -0.91291388
+H      2.81869696     -0.56547979     -0.90942399
+H      2.72977618     -0.56330666      0.86229235
+H      2.54322201      1.91817386      0.87493576
+H      2.57160317      1.95588517     -0.88794837
+H      7.52274728      0.50948579      0.02452307
+H      7.37681538      3.59737024     -0.01836568
+H      8.90055661      2.51667675      0.00257812 
+
+14
+-1492.7039248666586 13.721512 14.65925 -9.1436 -7.0629 -8.709 0.9865 -0.6716 1.001 8.33787 -0.59225 3.211981316 7.8873321942 1.91401497
+N      0.96608371      0.05036150      0.01011625
+C      2.43127185     -0.01912454     -0.01744954
+C      3.01403930      1.40985747     -0.00860303
+C      4.46498167      1.43667187      0.00088969
+C      5.68871983      1.42879695      0.00646031
+C      7.04844542      1.43531520      0.01102238
+C      8.26970945      1.43982587      0.01231299
+H      0.57595957     -0.87827517      0.18007491
+H      0.60829730      0.34898916     -0.90104136
+H      2.85431043     -0.56842869     -0.88019207
+H      2.76742967     -0.53943882      0.89152106
+H      2.61633704      1.94525672      0.86965202
+H      2.64794645      1.95744473     -0.89562886
+H      9.33987831      1.44514774      0.01355527 
+
+20
+-1939.9098301649476 13.267142 14.83147 -9.3038 -6.9668 -9.509 0.9582 -0.0123 1.365 8.97381 -0.79946 6.6762369462 6.6762369462 0.472883613
+N      0.26638303      1.49748223      0.12348805
+C      1.65465661      1.01468561      0.20094449
+C      2.63395927      2.18821235      0.21706688
+C      4.09712722      1.75496987      0.33425170
+C      5.07855769      2.94056442      0.31925715
+C      6.51225993      2.51747021      0.45213538
+C      7.47074549      2.73602584     -0.45561671
+H     -0.38053997      0.70608622      0.15474970
+H      0.11199522      1.95172240     -0.78131261
+H      1.93687327      0.32218053     -0.61984767
+H      1.75682120      0.44590448      1.14036461
+H      2.36463346      2.85831596      1.05023149
+H      2.50258512      2.77698874     -0.70934788
+H      4.35397925      1.07039852     -0.49198516
+H      4.23792412      1.17947717      1.26616934
+H      4.82072010      3.61867241      1.15334026
+H      4.94830225      3.51992921     -0.61008646
+H      6.76863704      1.97535673      1.37079484
+H      7.26183578      3.27082503     -1.38622499
+H      8.49536391      2.39466208     -0.30050241 
+
+18
+-1784.2356954273732 12.731826 14.49622 -9.392 -7.0537 -9.827 0.8896 -0.0758 2.331 9.45043 -1.95907 4.3677292136 10.6096308032 0.84621202
+N      0.89920656     -0.03281642      0.04619465
+C      2.36866266     -0.10166737      0.03696574
+C      2.97338157      1.29819430     -0.06881149
+C      4.50216671      1.29458586     -0.02582161
+C      5.09461944      2.71374699     -0.13652249
+C      6.55147976      2.73958831     -0.09950705
+C      7.76542536      2.73922149     -0.07015432
+H      0.50659084     -0.96868100      0.17033653
+H      0.56347601      0.29573975     -0.86365720
+H      2.78622778     -0.73633576     -0.77270640
+H      2.68580360     -0.55941432      0.98895173
+H      2.56712488      1.91645450      0.74900612
+H      2.63398214      1.76717130     -1.01092181
+H      4.90585101      0.67597254     -0.84375026
+H      4.85221532      0.83617679      0.91340285
+H      4.70123853      3.34100073      0.68201794
+H      4.74965609      3.18441712     -1.07355877
+H      8.83572172      2.74234520     -0.04189417 
+
+21
+-1957.1123532921456 12.79756 14.60997 -9.242 -6.902 -10.615 0.9489 -0.0155 3.076 10.35738 -2.8378 8.7593877252 9.7895502034 0.170866322
+N      0.77174206      1.18728842      1.47710956
+C      2.06308162      0.88754758      0.83730170
+C      2.92008994      2.14844564      0.73113849
+C      4.25811830      1.91632712      0.02382522
+C      5.12367487      3.17652377     -0.06071440
+C      6.45078045      2.95360693     -0.78517898
+N      7.25761361      4.18479600     -0.78616159
+H      0.19835308      0.34163427      1.51923271
+H      0.92865014      1.46973328      2.44887372
+H      1.85109359      0.50852146     -0.17677212
+H      2.64832927      0.09748965      1.35360163
+H      3.10908055      2.54163470      1.74690270
+H      2.33907432      2.92286789      0.20335846
+H      4.06885539      1.53118268     -0.99431972
+H      4.82003357      1.12419538      0.55064713
+H      5.33746575      3.56074510      0.95049731
+H      4.55870105      3.97162063     -0.58101169
+H      6.24357497      2.55078402     -1.79910761
+H      7.02759829      2.17908113     -0.25196959
+H      6.78419148      4.90370597     -1.34093064
+H      8.15255767      4.01516838     -1.25092228 
+
+11
+-1287.0871970400678 10.712767 11.60933 -10.8226 -8.662 -10.18 -0.5058 -2.235 -0.655 9.70083 1.14407 5.0284506076 10.5674631646 0.31776019
+N      2.40672563     -0.73315365      2.51086020
+C      2.92078230     -0.44121783      1.50619186
+C      3.56685704     -0.06748300      0.24661046
+C      4.09529603      1.34272290      0.27067368
+C      5.36880788      1.65270384     -0.02801937
+C      5.85803563      2.98905781     -0.03811339
+N      6.29242339      4.07478620     -0.05841643
+H      2.81596876     -0.16864833     -0.55654868
+H      4.37009870     -0.78768475      0.03031915
+H      3.38751456      2.13136356      0.53481971
+H      6.09498009      0.87573326     -0.28346719 
+
+9
+-1127.4369817563888 10.660277 11.79125 -11.1844 -8.9631 -10.444 -0.1783 -2.0536 -0.323 10.01143 0.61392 3.6302604856 7.9490648236 1.067236381
+N      0.96210288     -0.12646558      0.00000000
+C      2.12265504     -0.02874337      0.00000000
+C      3.58779513      0.05851284      0.00000000
+C      4.08113563      1.42840652      0.00000000
+C      4.50961610      2.56760501      0.00000000
+C      4.99590043      3.84265174      0.00000000
+N      5.41928786      4.93728073      0.00000000
+H      3.97147347     -0.47760395     -0.88462957
+H      3.97147347     -0.47760395      0.88462957 
+
+13
+-1432.876451872799 9.99753 11.20281 -12.0639 -9.541 -11.976 0.605 -0.5879 1.138 11.80681 -1.00849 5.3717058486 11.9774939496 0.205307576
+N      3.48360644     -0.54829308     -2.88723794
+C      3.65544768     -0.56094969     -1.73359277
+C      3.89639077     -0.52989934     -0.29311826
+C      4.53392927      0.79592521      0.16453095
+C      5.92995463      1.04312321     -0.43845968
+C      6.90263780      0.03844492     -0.01600445
+N      7.64856579     -0.78427829      0.34080825
+H      4.54540206     -1.37982965     -0.02802519
+H      2.93727099     -0.68381110      0.22350557
+H      4.60272185      0.78479580      1.26133637
+H      3.88280795      1.63495691     -0.11812917
+H      6.29994860      2.03419527     -0.13607265
+H      5.87875616      1.04025983     -1.53906105 
+
+13
+-1424.340586113575 12.586853 12.00312 -8.1747 -6.2892 -8.215 0.2564 -1.238 -0.321 7.72938 0.99414 4.3223131418 4.3223131418 0.513230399
+N      1.09121946     -0.31960145      0.33039975
+C      2.43116853     -0.07358329      0.25377023
+C      3.03130105      1.12813256     -0.04101285
+C      2.30880861      2.35480613     -0.36592207
+C      2.87090320      3.53849579     -0.67461137
+C      4.45625009      1.16140315     -0.02367673
+N      5.62619942      1.22153005     -0.02061585
+H      0.77585452     -1.28126814      0.35066449
+H      0.42653636      0.35400141     -0.03434913
+H      3.06266729     -0.93000018      0.49267633
+H      1.21608901      2.29599329     -0.34576295
+H      3.95471750      3.66454425     -0.70410791
+H      2.25410495      4.40688643     -0.90181194 
+
+11
+-1267.4808256820477 11.839984 11.73934 -8.3946 -6.534 -8.333 0.262 -1.3029 -0.317 7.87869 0.95321 4.0380256424 7.9170268412 0.362525783
+N      1.06571520     -0.21662551      0.00000000
+C      2.41045903     -0.09584327      0.00000000
+C      3.07864861      1.11124170      0.00000000
+C      2.35856959      2.33412815      0.00000000
+C      1.67274730      3.34094281      0.00000000
+C      4.50282250      1.12132309      0.00000000
+N      5.67401882      1.12843379      0.00000000
+H      0.62092256     -1.12404230      0.00000000
+H      0.48428947      0.61770040      0.00000000
+H      2.98019141     -1.02512275      0.00000000
+H      1.10386550      4.24795389      0.00000000 
+
+13
+-1425.0739489851928 12.688402 11.95851 -8.477 -6.6833 -8.583 -0.338 -1.9338 -0.652 7.96759 1.14854 4.3028225426 4.3028225426 0.54968749
+N      0.88677074      0.15310935     -0.15545934
+C      2.26267976      0.04361362     -0.13075802
+C      2.84789702     -1.27629274     -0.37611005
+C      2.17100615     -2.36407983     -0.78127530
+C      3.06180642      1.14631396      0.06095552
+C      4.46954049      1.10832786     -0.00840643
+N      5.64252002      1.10887651     -0.05068074
+H      0.49331376      1.02857929      0.17681135
+H      0.36452390     -0.66522858      0.14360286
+H      3.92570634     -1.33796321     -0.21316896
+H      1.10291193     -2.34844259     -1.00666105
+H      2.68501497     -3.31286910     -0.93221539
+H      2.61270849      2.12189547      0.25922555 
+
+19
+-1815.2159687712258 12.989152 14.21787 -9.2086 -6.9409 -9.09 1.0274 -0.0693 1.415 8.55941 -0.77368 6.3289025658 6.3289025658 0.400509761
+N      0.90404435      2.44199090     -1.27873448
+C      2.27673459      1.91620561     -1.33895937
+C      3.06930718      2.34169136     -0.09423020
+C      4.43093314      1.71627560     -0.02818685
+C      5.59474259      2.38111518     -0.03644301
+C      6.94733440      1.73526898      0.03848207
+N      7.78269372      2.16085499     -1.10004348
+H      0.37499754      2.12533195     -2.09464316
+H      0.92497433      3.46421943     -1.33761562
+H      2.84401358      2.22279041     -2.24119797
+H      2.21173171      0.81554020     -1.36435319
+H      2.47443772      2.05590007      0.79061605
+H      3.16356014      3.44092500     -0.07505351
+H      4.45636745      0.61947876      0.03102077
+H      5.59685386      3.47522814     -0.11182859
+H      6.82118078      0.63762211      0.13394048
+H      7.45910268      2.07739806      0.95548622
+H      7.39300245      1.78216563     -1.96729142
+H      8.72331779      1.77043764     -1.00731474 
+
+19
+-1815.0947081131183 12.470873 13.25682 -9.0322 -6.7691 -9.143 0.9463 -0.1819 1.438 8.51117 -0.79331 6.3822661402 6.3822661402 0.392047538
+N      3.19795217      0.72131950      2.43960958
+C      2.84853560      1.78915411      1.49347051
+C      3.32104095      1.43125512      0.07328628
+C      4.82633547      1.38696791     -0.05258700
+C      5.51559779      0.23389086     -0.06079167
+C      5.54520471      2.71627053     -0.15932002
+N      5.11016990      3.44874700     -1.36333865
+H      2.90552999      0.97861958      3.38454854
+H      4.21616060      0.61275694      2.46808330
+H      3.24729040      2.78794728      1.76836205
+H      1.75106228      1.88284056      1.47734430
+H      2.93263315      2.18629395     -0.62773111
+H      2.89431400      0.45332904     -0.19489593
+H      5.00999806     -0.73124805      0.01317171
+H      6.60554644      0.22333725     -0.14162934
+H      6.63683723      2.53633845     -0.10408607
+H      5.28012693      3.34394872      0.70962804
+H      5.45189473      2.96399477     -2.19755973
+H      5.53082958      4.38026648     -1.37410479 
+
+17
+-1660.424589672509 12.63131 14.51479 -9.2322 -6.9045 -9.197 0.8377 -0.1777 2.489 8.78478 -1.99752 4.167665404 10.3630102506 0.413485429
+N      0.92255081      0.02478012     -0.01001382
+C      2.39023341     -0.02532751     -0.03289499
+C      2.96008581      1.40558528     -0.01253261
+C      4.41752504      1.43733286     -0.00793627
+C      5.63375012      1.43945866      0.00939104
+C      7.09427871      1.45668436     -0.00702083
+N      7.62056972      2.83746816      0.03329876
+H      0.54361786     -0.91583543      0.11575984
+H      0.56911670      0.35541127     -0.91204599
+H      2.82094879     -0.56560112     -0.89841703
+H      2.72854715     -0.55067718      0.87297149
+H      2.55970396      1.92839779      0.87140383
+H      2.58343157      1.95488177     -0.89402081
+H      7.43639105      0.86736085     -0.88321462
+H      7.47111029      0.92953229      0.88641876
+H      7.25480852      3.35645497     -0.76948213
+H      8.63736049      2.80795285     -0.07872461 
+
+19
+-1800.995935011604 12.049171 13.32011 -8.8897 -6.6587 -10.35 1.0011 0.0812 3.389 9.81712 -3.30544 8.6878106074 12.2920464316 0.250405812
+N      1.61749811      3.09118830      1.88998769
+C      2.39122175      3.27809963      0.64857142
+C      3.19650410      2.01757047      0.33414353
+C      3.98915557      2.09828397     -0.97000825
+N      5.03499437      3.12638532     -0.91279398
+C      6.33484525      2.66529375     -0.41048157
+C      6.13578244      2.94938752     -1.86283062
+H      1.05590540      3.92614327      2.07359891
+H      2.26252190      3.01253412      2.68185282
+H      3.07410968      4.14786918      0.66322250
+H      1.67056496      3.45277309     -0.16853440
+H      2.50684688      1.15984515      0.28545242
+H      3.89469129      1.81028398      1.16551523
+H      3.31519557      2.36189672     -1.80342037
+H      4.41834310      1.09904986     -1.20370350
+H      6.42532486      1.61176133     -0.12169310
+H      6.87930085      3.37056943      0.22143561
+H      6.53197448      3.86454156     -2.30842312
+H      6.09513944      2.08277337     -2.53258123 
+
+13
+-1367.4557703177354 11.129349 11.5216 -9.6874 -7.6972 -9.956 0.356 -1.3939 0.11 9.37589 0.39763 4.0119141908 6.6002459268 0.35561962
+N      1.74884570     -0.76775999      0.26585881
+C      2.28553706      0.27875122     -0.24346072
+C      2.14580631      0.53710726     -1.65315029
+C      2.08405688      0.84231214     -2.82830653
+N      3.03155432      1.21260104      0.56201168
+C      4.19550768      1.88771073     -0.07056250
+C      2.95472921      2.65099209      0.19337252
+H      1.96250478     -0.76873430      1.27641643
+H      2.00162085      1.06867245     -3.87218853
+H      4.41455367      1.64204330     -1.11252118
+H      5.05700422      1.98141068      0.59250244
+H      2.88516923      3.31753313      1.05446359
+H      2.34248009      2.91673025     -0.67180572 
+
+15
+-1539.5919500394343 10.878985 12.18256 -9.5587 -7.4997 -10.975 0.8642 -0.1318 1.499 10.24744 -1.11543 5.3847615744 12.310383961 0.24896635
+N      0.88674653     -0.05591110     -0.83596856
+C      2.05262851     -0.01911297     -0.82544946
+C      3.50885024      0.03718791     -0.78509675
+C      4.03639751      0.58421666      0.55422332
+N      5.49600331      0.57318191      0.53460511
+C      6.12887249      1.80844070      0.04742275
+C      6.13773470      1.47120093      1.50098652
+H      3.86015465      0.66973582     -1.61551869
+H      3.91539393     -0.97170463     -0.95305312
+H      3.69608487     -0.06644216      1.37395498
+H      3.61605170      1.59568679      0.73258605
+H      5.47387528      2.62917307     -0.26552985
+H      7.02790343      1.67101960     -0.55643277
+H      7.04255283      1.08239209      1.97217146
+H      5.48980001      2.06798537      2.15129901 
+
+13
+-1398.300778160338 11.6874 12.12822 -9.7538 -7.6956 -9.443 0.1597 -1.4789 -0.056 8.95138 0.54806 4.983431291 5.1801474786 0.304210179
+N      1.18020873      0.36683914      1.22734652
+C      2.16514920      0.38753875      0.59467213
+C      3.33990397      0.40127212     -0.20171539
+C      4.54364403      0.75619212      0.29118869
+N      5.69000010      0.75777872     -0.52998483
+C      6.94875669      0.40258612      0.18361587
+C      6.68482306      1.81091872     -0.18228106
+H      3.24702540      0.11063545     -1.25018437
+H      4.64498064      1.05063773      1.34809727
+H      7.63299691     -0.20503833     -0.41040060
+H      6.86772691      0.12605181      1.23855976
+H      6.42186822      2.50554610      0.62039215
+H      7.17147613      2.25809154     -1.05028614 
+
+11
+-1266.5405415261464 12.19848 11.88619 -8.5712 -6.7283 -8.608 -0.2577 -1.8649 -0.546 7.99687 1.02829 4.073931988 4.173802711 0.389613077
+N      1.00706640      0.04884092      0.00000000
+C      2.37218472     -0.02423560      0.00000000
+C      3.07125944     -1.21266607      0.00000000
+C      2.38774405     -2.44291487      0.00000000
+N      1.76049099     -3.43637450      0.00000000
+C      3.07433157      1.21684463      0.00000000
+C      3.65451735      2.28416884      0.00000000
+H      0.54132198      0.94560749      0.00000000
+H      0.45356040     -0.80208721      0.00000000
+H      4.15769387     -1.20171732      0.00000000
+H      4.18137923      3.21702370      0.00000000 
+
+19
+-1812.8461598466567 12.572347 13.46177 -9.0157 -6.7558 -9.441 1.106 -0.077 1.363 8.89054 -0.77744 6.6202076728 6.6202076728 0.439256215
+N      0.92317448      0.00528449     -0.01706194
+C      2.38157115     -0.06809708      0.16384608
+C      2.99181139      1.33338286      0.36910823
+C      2.42941629      2.01036264      1.63451442
+N      2.80450481      3.42892249      1.67069464
+C      4.49202468      1.24517879      0.43708750
+C      5.34984921      1.91031598     -0.34639335
+H      0.53090189     -0.93774650     -0.05619367
+H      0.71073521      0.43919378     -0.91975088
+H      2.91619873     -0.55589270     -0.67491431
+H      2.57740549     -0.67898171      1.06214882
+H      2.71637491      1.96989555     -0.49169293
+H      2.76561190      1.42399307      2.51754613
+H      1.33310286      1.93632938      1.59719641
+H      3.82116176      3.51746425      1.75432783
+H      2.40139792      3.87637355      2.49607230
+H      4.89102051      0.58362014      1.21841142
+H      4.99691701      2.58301572     -1.13227093
+H      6.42994979      1.80478531     -0.22973576 
+
+17
+-1657.2732613631256 12.065676 13.1371 -9.1654 -6.8934 -9.742 0.8914 -0.0783 2.347 9.318 -1.91339 4.338146154 10.636077017 0.614751228
+N      0.98978433     -0.03943674     -0.22039536
+C      2.45200835     -0.03150824     -0.08294063
+C      2.97944956      1.41951713      0.03019655
+C      2.45205177      2.12892835      1.29519398
+N      2.78265735      3.55676641      1.26017590
+C      4.44023453      1.43901397     -0.01276517
+C      5.65536614      1.44412993     -0.01526164
+H      0.63361517     -0.98915649     -0.09976174
+H      0.72535777      0.24877016     -1.16608872
+H      2.99192367     -0.53071802     -0.90920990
+H      2.71349628     -0.57120558      0.84114658
+H      2.60846878      1.99504521     -0.83893717
+H      2.84681222      1.58563548      2.17865830
+H      1.35873991      2.01620847      1.29603129
+H      3.79645146      3.67609426      1.34419782
+H      2.36715624      4.02892767      2.06546551
+H      6.72606648      1.45344802     -0.02916559 
+
+19
+-1811.7551886284682 12.566045 13.49978 -9.0946 -6.8701 -9.56 0.886 -0.0705 1.359 9.00579 -0.77901 6.7017656636 6.7017656636 0.433364119
+N      0.92185663      2.55889525     -1.11830131
+C      2.14220199      2.68659632     -0.30531069
+C      3.25557751      1.80378649     -0.87008570
+C      4.58771146      1.86344958     -0.08784639
+N      5.59775395      0.89054457     -0.55826986
+C      5.18838578      3.24486298     -0.14055318
+C      5.36716889      4.05194593      0.90914695
+H      0.20459573      3.19963380     -0.77123038
+H      0.53363792      1.61705681     -1.01492869
+H      1.99810680      2.43881164      0.76798892
+H      2.46103506      3.74003963     -0.34084150
+H      3.43174828      2.07905840     -1.92456854
+H      2.91401686      0.75214859     -0.87429707
+H      4.38367755      1.62207142      0.97099582
+H      5.83223392      1.09726979     -1.53500450
+H      5.18134043     -0.04535726     -0.56726850
+H      5.48142132      3.59155459     -1.14086129
+H      5.09053406      3.73980298      1.91961828
+H      5.80027587      5.04723849      0.79803765 
+
+17
+-1655.1391230232941 12.063278 13.13712 -9.2458 -6.9833 -9.759 0.8341 -0.1997 2.321 9.37517 -1.90121 4.368708703 10.8987041622 0.359025706
+N      0.94500595     -0.05879536      0.23695976
+C      2.40791179     -0.13563022      0.10645620
+C      3.01438806      1.26784265      0.09849214
+C      4.55667385      1.29571788     -0.03964028
+N      5.14380058      2.64434963     -0.18010536
+C      5.19674305      0.60617471      1.08497620
+C      5.68828066      0.04094498      2.03989370
+H      0.55419779     -0.99808301      0.33627138
+H      0.53761140      0.32946716     -0.61819172
+H      2.75316056     -0.68349060     -0.79603551
+H      2.79608564     -0.68640703      0.97714092
+H      2.71837056      1.79543184      1.01923220
+H      2.60029253      1.83960691     -0.75139344
+H      4.82545417      0.74141894     -0.95896625
+H      4.95777266      3.17876765      0.67383525
+H      4.66230914      3.13446050     -0.93929161
+H      6.14132162     -0.45761662      2.87231643 
+
+10
+-1175.931593675773 10.517338 10.57035 -9.2898 -7.3625 -9.173 -0.2736 -1.9011 -0.877 8.63658 1.515 4.3746228352 4.3746228352 0.317593021
+N      1.07070335     -0.23550920      0.00000000
+C      2.40851955     -0.10271051      0.00000000
+C      3.08010289      1.10447476      0.00000000
+C      2.32370528      2.30880279      0.00000000
+N      1.60003171      3.23000503      0.00000000
+C      4.50103066      1.14396005      0.00000000
+N      5.67132624      1.16642060      0.00000000
+H      0.63937903     -1.15044260      0.00000000
+H      0.46775301      0.58455614      0.00000000
+H      2.98493828     -1.02800707      0.00000000 
+
+10
+-1172.0136681259057 10.840966 10.64874 -9.3322 -7.4372 -9.292 -0.772 -2.5033 -1.222 8.75063 1.56007 4.2943914946 4.2943914946 0.395929714
+N      0.99580072      0.06179547      0.00000000
+C      2.35684359     -0.02413796      0.00000000
+C      3.07589834     -1.19550386      0.00000000
+C      2.40921827     -2.43631025      0.00000000
+N      1.79730992     -3.43788861      0.00000000
+C      3.06421072      1.22408536      0.00000000
+N      3.62160225      2.25055193      0.00000000
+H      0.53036783      0.95935044      0.00000000
+H      0.43796577     -0.78643779      0.00000000
+H      4.16230259     -1.16875474      0.00000000 
+
+19
+-1804.3033208145357 12.108718 13.2743 -8.3339 -6.3092 -9.804 0.9858 0.0261 3.371 9.03079 -3.18368 7.9604343398 10.9671072384 0.112204969
+N      2.25774169     -0.03463368      3.46707789
+C      3.17741263     -0.18517267      2.32856292
+C      3.78282178      1.16912957      1.95723612
+N      4.72286770      1.05518260      0.85449669
+C      5.37623521      2.30067553      0.38128430
+C      6.68267051      1.49937838      0.17270282
+C      6.05744638      0.46123844      1.13318275
+H      1.93674570     -0.95406422      3.77726308
+H      1.41826981      0.46975541      3.16865057
+H      2.72335712     -0.62539535      1.41919501
+H      3.98702898     -0.86433141      2.64300919
+H      4.25086682      1.61465766      2.86481838
+H      2.97625812      1.85419426      1.64005982
+H      5.48834347      3.05629698      1.18670236
+H      4.89976146      2.77208859     -0.49251014
+H      6.78089688      1.11679285     -0.85089823
+H      7.62002980      1.97363704      0.48497894
+H      6.15704734     -0.60704760      0.88692613
+H      6.38318859      0.62552763      2.18224140 
+
+15
+-1539.7718894047243 10.81309 11.91725 -9.1494 -7.1117 -10.357 0.8376 -0.2439 1.48 9.58664 -1.09495 5.4149273682 12.4330557094 0.33167552
+N      3.43250522     -1.07502442     -2.32935333
+C      3.50548341     -0.62404787     -1.25686575
+C      3.56759475     -0.04908166      0.09003940
+N      4.31851538      1.19498294      0.10910277
+C      3.70602998      2.39472209     -0.52442243
+C      4.28255153      3.24413868      0.63252658
+C      4.38984666      1.91124202      1.40942788
+H      4.06551830     -0.77733162      0.75100933
+H      2.52096182      0.06630259      0.45730614
+H      2.59777787      2.36849766     -0.50134291
+H      4.04410366      2.59406504     -1.55081879
+H      5.26576558      3.66520387      0.39066344
+H      3.63631584      4.02034441      1.05599209
+H      5.29802362      1.70949139      1.99641731
+H      3.49621638      1.73724488      2.04340826 
+
+19
+-1805.7571040105463 12.048119 13.2814 -8.6546 -6.5743 -9.923 1.0026 0.043 3.454 9.19253 -3.18722 8.016996753 11.5952451116 0.266405144
+N      2.04259282      1.33784245      2.73992460
+C      3.26476033      1.48187542      1.93410757
+C      2.94190115      2.22966969      0.63705158
+N      4.11128553      2.36221375     -0.24232903
+C      5.04845914      3.38158591      0.16759097
+C      6.26664421      2.96673014      0.96212100
+C      6.40602345      3.37828835     -0.48620744
+H      2.27382421      0.95789002      3.65982952
+H      1.41567564      0.65684800      2.30246026
+H      3.76322327      0.52781466      1.67105086
+H      3.98555314      2.07066948      2.52182508
+H      2.48470184      3.20542959      0.90383186
+H      2.17767974      1.65837932      0.08304655
+H      3.79181043      2.57050178     -1.19063274
+H      4.63102301      4.37031108      0.41651819
+H      6.36189413      1.90359203      1.18281052
+H      6.63576736      3.64316605      1.73386111
+H      6.86894749      4.33814092     -0.71546397
+H      6.59530310      2.58503135     -1.21014649 
+
+15
+-1542.0600233563528 10.921876 12.32019 -9.5124 -7.4115 -10.503 0.8424 -0.2574 1.425 9.76916 -1.05214 5.4120880888 12.3145126948 0.280999232
+N      1.66484345      0.46698167     -2.31287577
+C      2.63976860      0.92308520     -1.86498165
+C      3.86223687      1.51989884     -1.32430642
+N      5.01508022      0.63037163     -1.49690185
+C      6.23225528      1.21107477     -0.98136491
+C      6.54743483      0.97093095      0.47691585
+C      7.33807033      0.26303423     -0.59997980
+H      3.71468633      1.69210955     -0.24565136
+H      3.98343786      2.52044833     -1.79201222
+H      5.12350646      0.39595341     -2.48721113
+H      6.53946144      2.18652834     -1.38826582
+H      5.83184244      0.36845409      1.03701138
+H      7.02922965      1.77168714      1.03773036
+H      8.36497524      0.57656105     -0.78635592
+H      7.13869100     -0.79885921     -0.74240072 
+
+19
+-1813.0044293148007 11.969738 13.2465 -8.8586 -6.6756 -10.333 0.8759 -0.0844 3.072 9.77103 -2.727 8.3702824614 12.0166859242 0.245555798
+N      1.93718884      0.05151569     -1.61384161
+C      3.11502865      0.12251624     -0.73214442
+C      2.90931192      1.20686122      0.34531937
+N      1.67483535      1.02837606      1.12695405
+C      4.11534820      1.29520441      1.25542014
+C      5.29014681      2.17300360      0.88663492
+C      4.38375323      2.55980821      2.03194958
+H      1.96977377     -0.79457373     -2.18483462
+H      1.94450826      0.83845697     -2.26827087
+H      4.06733123      0.31679188     -1.26518985
+H      3.21690527     -0.85403308     -0.22867902
+H      2.81679533      2.17881295     -0.18128837
+H      1.81740711      0.26987949      1.80227635
+H      0.95480497      0.69296767      0.47591258
+H      4.36300933      0.35633165      1.76428384
+H      5.21837438      2.75200445     -0.03600988
+H      6.29445997      1.81643963      1.11769893
+H      4.76944572      2.47237176      3.04782112
+H      3.68816165      3.38597494      1.88006779 
+
+19
+-1814.919149459492 12.584471 13.45631 -8.9813 -6.779 -9.504 0.8958 -0.0821 1.305 8.99951 -0.7344 6.6317135736 6.6317135736 0.439711688
+N      0.75141770     -0.05635625     -0.09866842
+C      2.16642182     -0.22162636      0.28014503
+C      2.91043099      1.11751598      0.12816362
+N      2.30116543      2.21950898      0.88678560
+C      4.39617862      0.99654024      0.50721229
+C      5.19840789      0.09668288     -0.38592066
+C      5.95910945     -0.92678444      0.02021888
+H      0.20776207     -0.86777326      0.20010738
+H      0.66813307     -0.01870276     -1.11838576
+H      2.69724700     -1.00668898     -0.29260030
+H      2.19878671     -0.51862194      1.34285983
+H      2.86012622      1.40414946     -0.94164509
+H      2.47218195      2.06461059      1.88690398
+H      1.28468712      2.13583964      0.76932715
+H      4.48373506      0.65775271      1.55536825
+H      4.81387487      2.01774782      0.46606084
+H      5.15754330      0.33034090     -1.45741953
+H      6.03496832     -1.19579974      1.07729050
+H      6.53621239     -1.52510547     -0.68637361 
+
+17
+-1659.4558450264235 12.046635 13.08616 -9.1535 -6.9339 -9.795 0.8536 -0.1222 2.303 9.4275 -1.89137 4.3550950402 10.5861478548 0.619855959
+N      1.67776664     -0.87415407     -0.71680487
+C      2.96578868     -0.48736400     -0.11431326
+C      3.14442927      1.03775636     -0.21010420
+N      2.06488048      1.80640771      0.42230253
+C      4.49064127      1.49835318      0.38540762
+C      5.66586618      0.96750115     -0.29252021
+C      6.64536534      0.53185211     -0.86324789
+H      1.43740511     -1.83111163     -0.45285189
+H      1.76029870     -0.87434504     -1.73720522
+H      3.84351768     -0.98953861     -0.56355077
+H      2.93804306     -0.76814433      0.95297724
+H      3.14804447      1.30968435     -1.28213991
+H      2.10406410      1.65867113      1.43767799
+H      1.18241952      1.37545733      0.12339693
+H      4.52791783      1.21499928      1.45373725
+H      4.51129253      2.59967011      0.35502765
+H      7.51042914      0.15192497     -1.36697899 
+
+19
+-1806.8504280280542 12.657203 13.88158 -8.7155 -6.6052 -9.443 0.9556 -0.0168 1.39 8.9747 -0.82589 6.6368837898 6.6368837898 0.406779354
+N      0.41070852      1.00680770      0.20506295
+C      1.84314296      0.68909671      0.30709210
+C      2.68240134      1.88535282     -0.14039912
+N      4.11138692      1.58428557     -0.05729517
+C      4.95169369      2.69850218     -0.47799446
+C      6.42368052      2.40402720     -0.41641862
+C      6.98234328      1.30000867      0.09227532
+H     -0.14465982      0.17214579      0.40315192
+H      0.15742784      1.69000350      0.92421966
+H      2.04359407     -0.16005881     -0.36874676
+H      2.18032445      0.38261556      1.31650281
+H      2.47973501      2.73950288      0.53107242
+H      2.35022669      2.19507175     -1.15433343
+H      4.31854986      0.77950040     -0.65767135
+H      4.73635471      3.55845047      0.18467972
+H      4.71098749      3.06071097     -1.50516593
+H      7.06369582      3.18373811     -0.84328672
+H      6.37528881      0.51265698      0.54257827
+H      8.06435787      1.16455158      0.08930639 
+
+17
+-1649.864398931126 12.297917 13.56304 -8.8391 -6.711 -9.724 0.9402 -0.0815 2.375 9.4215 -1.96118 4.4021601258 10.9008739172 0.717277814
+N      2.93278899     -0.82880056     -1.17823846
+C      2.35715739     -0.10878619     -0.02753907
+C      2.81797057      1.34749972     -0.01308169
+N      4.28064531      1.42547211      0.02020131
+C      4.75183814      2.81372545      0.12258339
+C      6.20072867      2.91326653     -0.01884246
+C      7.40239537      3.00144700     -0.16214839
+H      2.36299774     -1.64584620     -1.40248001
+H      3.85453698     -1.19421244     -0.92695024
+H      2.60773228     -0.57106641      0.94590606
+H      1.26092673     -0.11957788     -0.12616534
+H      2.42574959      1.83606314      0.89525657
+H      2.38535014      1.87741419     -0.88962550
+H      4.63608300      1.03786117     -0.85942563
+H      4.45794591      3.20469152      1.11280216
+H      4.27918571      3.48723303     -0.62778347
+H      8.46417750      3.07826581     -0.27760923 
+
+12
+-1294.2200025661057 9.745482 10.85085 -10.4565 -8.3341 -11.085 0.7786 -0.7904 0.945 10.36636 -0.61778 5.3753634356 11.1051532508 0.084458882
+N      1.07390804     -0.22053612      0.02274076
+C      2.23870301     -0.18500793      0.01140712
+C      3.70105115     -0.14803983      0.02474358
+N      4.18610500      1.23894523      0.02460010
+C      5.64396357      1.33433709      0.01478111
+C      6.31606750      0.66732381      1.14883477
+N      6.77439225      0.10798418      2.06479859
+H      4.06469702     -0.64554527     -0.88971709
+H      4.05258527     -0.75185619      0.88563231
+H      3.80946327      1.73328835      0.83749712
+H      5.92790668      2.39644562      0.01121725
+H      6.03049725      0.89817107     -0.92032562 
+
+12
+-1274.757091802681 10.006106 10.45094 -10.3532 -8.3467 -11.214 -0.1128 -2.0217 -0.631 10.53984 0.99708 4.6202019054 6.9685215426 0.299505499
+N      1.69692525     -0.73924275      0.40412210
+C      2.25950476      0.29322753     -0.09337027
+C      2.08783313      0.55111402     -1.51750270
+N      2.02286538      0.86142280     -2.64176789
+N      3.04865476      1.21328917      0.66111397
+C      4.20818403      1.85020460     -0.02665201
+C      2.99856149      2.64963700      0.26402165
+H      1.91755969     -0.77198183      1.41250077
+H      4.39060512      1.57991087     -1.06955999
+H      5.09139046      1.92977666      0.60838031
+H      2.97454208      3.32884167      1.11709196
+H      2.36254384      2.92032026     -0.58225790 
+
+12
+-1255.5244995681762 11.066096 11.23936 -9.5393 -7.5703 -10.668 -0.4206 -2.2329 -0.835 10.26209 1.25079 4.320106191 6.6126445268 0.354611465
+N      1.68074995      1.17285446     -1.88001955
+C      2.59579496      1.00864557     -1.17176953
+C      3.65219942      0.78213992     -0.23482962
+N      4.87364374      0.96808929     -0.59593016
+N      5.76960769      0.68624842      0.48675513
+C      7.05360222      0.16713734     -0.08803971
+C      6.97096846      1.57254900      0.34668320
+H      3.37792522      0.45191062      0.77664933
+H      7.04678973     -0.03006338     -1.16062736
+H      7.52468940     -0.58630252      0.54339007
+H      7.37933360      1.88513954      1.30784043
+H      6.90753562      2.33717175     -0.42838222 
+
+13
+-1371.026240077198 11.479821 12.2065 -9.352 -7.3812 -9.74 1.2117 -0.3439 0.773 9.3791 -0.18697 4.3685351226 10.5535767326 0.283044505
+N      1.38765039     -0.00949244     -0.29116782
+C      2.63855047      0.05930189     -0.02994599
+N      3.21476008      1.17419792      0.59179589
+C      4.05171257      2.09195717     -0.17924783
+C      2.67469935      2.50730929      0.29056432
+C      2.50487273      3.43609603      1.37434212
+C      2.35915811      4.25282645      2.25998098
+H      1.15825602     -0.93703021     -0.66671376
+H      3.38203476     -0.73871106     -0.19804730
+H      4.16553658      1.90625487     -1.25116105
+H      4.92701151      2.48308609      0.34244459
+H      1.88766047      2.51880679     -0.47021897
+H      2.22661696      4.96094721      3.05213481 
+
+12
+-1272.7378895890124 10.381154 11.11957 -10.3936 -8.2793 -11.104 0.8421 -1.0396 0.394 10.70491 0.12488 4.6962053234 7.3983810046 0.226090112
+N      1.86493374     -0.79163055      0.40594155
+C      2.37394695      0.24211528     -0.12395227
+N      3.04332715      1.19979184      0.70460166
+C      4.14276093      1.91375377      0.03109738
+C      2.83914993      2.60479774      0.23751925
+C      2.65668469      3.60074144      1.26282900
+N      2.52275525      4.44108110      2.06113873
+H      1.43068043     -1.37956858     -0.31809891
+H      2.35866200      0.48210357     -1.21058060
+H      4.38736666      1.63985762     -1.00046139
+H      4.98683557      2.15067471      0.67933951
+H      2.21740671      2.75637205     -0.65159392 
+
+13
+-1440.609711640334 11.555619 11.27447 -8.4592 -6.5073 -8.382 0.7229 -0.9176 0.099 7.84111 0.2995 4.5072258622 5.904585278 0.409010353
+N      2.76203039     -1.12114341      0.14772000
+C      2.20155101      0.02312147      0.06176059
+N      2.95001359      1.20389481      0.03546175
+C      2.40353269      2.48395059     -0.05719923
+C      3.44012977      3.38595375     -0.05560303
+C      4.65999383      2.63840347      0.04086998
+C      4.33572855      1.30299620      0.09551451
+H      2.05172198     -1.86017904      0.15277848
+H      1.12047819      0.22461790      0.00044454
+H      1.32879632      2.62197038     -0.11485361
+H      3.34111186      4.46551027     -0.11662729
+H      5.66717583      3.04403550      0.06696756
+H      4.93547599      0.40385813      0.17055575 
+
+17
+-1701.8025224595278 11.741421 12.39945 -8.025 -6.1317 -9.043 0.8346 -0.0807 1.123 8.11209 -0.541 4.98857671 5.6482690202 0.232254792
+N      2.68329379     -0.98582118     -0.43959906
+C      2.30097159      0.11625172      0.12121095
+N      2.93205331      1.30067207     -0.10720219
+C      2.58898964      2.56948913      0.53878146
+C      3.35671497      3.59868265     -0.30088983
+C      4.62061895      2.82779479     -0.71688927
+C      4.10533298      1.40598822     -0.98268443
+H      2.07032052     -1.75017264     -0.14056140
+H      1.44927474      0.21895490      0.81704620
+H      2.93094247      2.59195595      1.59146436
+H      1.50131736      2.73804329      0.53071242
+H      2.76668969      3.86858094     -1.19056649
+H      3.57180684      4.51900240      0.25814869
+H      5.12153798      3.26220553     -1.59196821
+H      5.34412738      2.81758328      0.11341564
+H      3.80478690      1.25813877     -2.03471457
+H      4.83216088      0.61641019     -0.74130428 
+
+15
+-1559.3175818839982 11.5213 11.82137 -8.1403 -6.2233 -8.832 0.843 -0.0272 1.089 8.12896 -0.51404 4.9875352276 5.577448217 0.191777471
+N      1.23802769      0.04424738      0.73984673
+C      2.37037755      0.08930996      0.11762374
+N      3.03230745      1.26169082     -0.08697837
+C      4.31514116      1.39182763     -0.78187923
+C      4.56210941      2.87430488     -0.71284444
+C      3.56971017      3.50484874     -0.07398408
+C      2.50732349      2.54707595      0.38283678
+H      0.91002668     -0.92469521      0.78718548
+H      2.90892160     -0.77891686     -0.30223728
+H      4.25914517      1.03272214     -1.82769432
+H      5.11853413      0.81750091     -0.28135909
+H      5.44988823      3.33687188     -1.14162894
+H      3.50895149      4.57691784      0.10881722
+H      2.36563935      2.54090238      1.47925478
+H      1.51370642      2.75398157     -0.05557898 
+
+15
+-1561.1769201590291 12.086928 11.9009 -7.563 -5.6853 -8.177 1.4147 -0.1804 0.726 7.51947 -0.16022 4.805325402 4.805325402 0.373381175
+N      1.17244280      0.01281461     -0.79638417
+C      2.33013788      0.06458478     -0.22826215
+N      2.97847950      1.24989420      0.01303005
+C      4.30396554      1.36544756      0.65893554
+C      4.58017920      2.89665595      0.69431121
+C      3.34956304      3.49362613      0.04785150
+C      2.49330486      2.52210994     -0.31045609
+H      0.87324751     -0.96273950     -0.87925540
+H      2.91714092     -0.80275741      0.11897147
+H      5.06078678      0.82346324      0.07205865
+H      4.27369008      0.92854518      1.66847207
+H      5.50018183      3.15304885      0.14482494
+H      4.72013378      3.25728518      1.72603094
+H      3.18985916      4.55787786     -0.10127482
+H      1.52197714      2.58391343     -0.79378376 
+
+17
+-1686.8676452271368 12.069263 12.99092 -8.3795 -6.4652 -9.346 0.8759 -0.0275 1.043 8.51283 -0.49269 4.967003146 5.9119996408 0.269041543
+N      1.51022683      0.40698289      2.59036765
+C      2.33990657      0.72177668      1.65725991
+N      3.62553920      0.24461295      1.63435005
+C      4.66810554      0.73691854      0.77269822
+C      5.86064967      1.56298036      1.34581909
+C      6.77212908      0.85823665      0.30610668
+C      5.70392225     -0.26290793      0.19065477
+H      0.59668318      0.83059345      2.40323281
+H      2.11830499      1.36780346      0.78830999
+H      3.89288212     -0.30486265      2.45092482
+H      4.18569781      1.29666751     -0.04419947
+H      6.09625000      1.23415181      2.36944704
+H      5.78494992      2.65887105      1.33199731
+H      6.84973064      1.43952326     -0.62376361
+H      7.78051945      0.56824048      0.62557003
+H      5.49753194     -0.70670626     -0.79285249
+H      5.90147080     -1.07124226      0.91130721 
+
+17
+-1691.2833447311543 11.597188 12.48903 -8.9852 -7.0026 -9.91 0.7187 -0.2783 1.051 9.14827 -0.41477 5.0301864116 6.4317489528 0.193908306
+N      1.05767489      0.16156511      0.65789105
+C      2.26915346      0.00837020     -0.01483589
+N      2.60723019     -0.99819081     -0.74836137
+C      3.21555411      1.17963692      0.08012895
+C      2.74099093      2.61542422     -0.30536557
+C      3.66048491      3.17158799      0.81303387
+C      3.65173251      1.76186032      1.46060026
+H      1.04401169      0.80366430      1.44650546
+H      0.52213970     -0.68706508      0.81927065
+H      1.87487782     -1.72485881     -0.74296203
+H      4.10239481      0.90495274     -0.50624808
+H      1.67730005      2.76275744     -0.06690846
+H      2.91845369      2.93705542     -1.34013572
+H      4.65715495      3.42558188      0.42455817
+H      3.29125424      4.01472548      1.41232536
+H      4.58347566      1.37464929      1.89449329
+H      2.85672642      1.67809339      2.21899004 
+
+17
+-1683.3754204269596 12.058536 13.18291 -8.5062 -6.5426 -9.509 0.9167 0.0412 0.998 8.68845 -0.46364 4.9521620218 11.9696952302 0.274507199
+N      1.02277532      0.36490440      0.54289920
+C      2.30999535      0.38960910      0.50229179
+N      3.00418655      1.46980904      0.02266431
+C      4.40143006      1.41208098     -0.38104671
+C      5.10956463      2.72658938     -0.14740462
+C      6.32055847      3.07798608     -0.97639141
+C      5.02138959      3.81865970     -1.19171787
+H      0.70491795     -0.49860253      0.99311796
+H      2.98001529     -0.41130532      0.86511142
+H      2.42500903      2.19608279     -0.39829703
+H      4.50731033      1.13041604     -1.44815974
+H      4.88165680      0.61216243      0.20576596
+H      5.11665876      3.05545789      0.89469234
+H      6.63265051      2.36957291     -1.74564085
+H      7.14064355      3.60328437     -0.48720482
+H      4.95278996      4.85218186     -0.85253259
+H      4.46621785      3.60333088     -2.10684734 
+
+17
+-1690.726480251414 11.651783 12.70336 -8.8842 -6.8704 -9.839 0.7743 -0.1891 1.104 9.08506 -0.48353 5.0751065394 11.3461324404 0.20833139
+N      2.74316467     -0.74180322     -1.61961350
+C      2.12656873     -0.37685124     -0.43480820
+N      0.92082514     -0.65921618     -0.07588292
+C      2.99967426      0.42305868      0.52036564
+C      4.45652510      0.00853197      0.57820697
+C      5.48859878      0.64797376     -0.33322744
+C      5.48086663      0.95678069      1.14727117
+H      3.63782446     -0.32486075     -1.85571137
+H      2.16713180     -1.05883019     -2.39177033
+H      0.42273921     -1.17406110     -0.81759285
+H      2.52823646      0.34410739      1.50966770
+H      2.93885354      1.48609913      0.22550502
+H      4.61982414     -1.04929239      0.80040583
+H      5.15754121      1.44271281     -1.00607983
+H      6.29537209      0.02751045     -0.72523262
+H      6.28074558      0.54379742      1.76199157
+H      5.13852819      1.94635278      1.45408518 
+
+13
+-1395.7643518003479 14.314353 13.2992 -7.9974 -6.144 -8.214 0.564 -0.9748 0.095 7.69071 0.36689 4.051800487 4.2438919968 0.367033851
+N      0.90409784      0.29088222     -1.16313111
+C      2.18608494      0.24286429     -1.17827988
+N      2.93274108      1.25621485     -0.60984314
+C      4.30967355      1.30694353     -0.57690310
+C      5.03477187      2.31267071     -0.02257382
+C      6.44527027      2.32923908     -0.00973752
+C      7.66302308      2.38466280      0.02251057
+H      0.51253265     -0.53550015     -1.62490868
+H      2.81138374     -0.55351465     -1.61455396
+H      2.38959842      2.01524079     -0.19553640
+H      4.80860567      0.45515276     -1.04276384
+H      4.51944573      3.16034879      0.44091806
+H      8.73218115      2.42774498      0.04752284 
+
+15
+-1531.052843874878 11.689226 12.38181 -8.7501 -6.7884 -9.575 0.847 -0.0862 0.909 8.79029 -0.37486 4.3543635228 10.6468266032 0.465950598
+N      2.71083826      2.06205680      2.22600180
+C      2.20176135      2.05967719      1.04189332
+N      2.92311057      1.68915395     -0.06740498
+C      4.35680502      1.46467459      0.01437995
+C      5.18905872      2.76902710      0.03210077
+C      5.03211837      3.55449967     -1.18460632
+C      4.86841876      4.17479435     -2.21642264
+H      1.99179812      2.30483063      2.91324486
+H      1.15721622      2.31403660      0.79321775
+H      2.55343709      1.98062932     -0.96740236
+H      4.65969306      0.83803124     -0.83605597
+H      4.54860367      0.91725992      0.94656772
+H      6.25180052      2.51042631      0.17204728
+H      4.88554166      3.36129000      0.90976061
+H      4.74584860      4.73917234     -3.11807178 
+
+15
+-1556.1613400996846 14.136678 13.19145 -8.5324 -6.7321 -8.663 -0.1162 -1.6882 -0.606 8.04411 1.09433 4.6078528998 4.6078528998 0.940833717
+N      3.80290924     -0.89078423     -1.53327752
+C      3.03658717     -0.58545821     -0.40577304
+N      2.25798586     -1.40489521      0.23015663
+C      3.17712644      0.76724435      0.15356720
+C      4.06149701      1.71552248     -0.23437080
+C      4.14036959      3.03133448      0.36457804
+C      5.01794162      3.98277809     -0.01082041
+H      3.98880936     -0.12106698     -2.17214907
+H      3.53007023     -1.74135955     -2.01852623
+H      2.22890921     -2.32336268     -0.23714918
+H      2.48389158      0.96496849      0.97432806
+H      4.78811611      1.50334980     -1.02722319
+H      3.43074646      3.24360778      1.17142519
+H      5.74025224      3.80607849     -0.81132458
+H      5.03812787      4.96045290      0.47023891 
+
+13
+-1396.7505896521354 13.135716 12.81102 -8.7368 -6.8304 -8.838 -0.2478 -1.8092 -0.439 8.27606 0.90106 3.9182799636 4.2936599772 0.317561972
+N      1.16122688     -0.16838667     -0.52449428
+C      2.50373753     -0.18719264     -0.14432184
+N      3.18897926     -1.22583520      0.20271432
+C      3.15914382      1.13673567     -0.23269113
+C      4.44517460      1.32834851      0.13593770
+C      5.11642814      2.56761317      0.07659123
+C      5.73368690      3.61751684      0.03919115
+H      0.66480663      0.71469313     -0.43843449
+H      0.60492194     -0.97774429     -0.26417648
+H      2.60593304     -2.07222568      0.22792329
+H      2.57146422      1.97693361     -0.61094195
+H      4.99964266      0.45714105      0.50192387
+H      6.27142440      4.54272249      0.00591861 
+
+15
+-1550.0015049745436 12.267778 12.38975 -8.7048 -6.8202 -9.039 0.3391 -1.2825 0.014 8.46342 0.51952 4.7611987846 5.758405784 0.350990315
+N      2.73210143     -1.03858058     -0.40371208
+C      2.08259204      0.04364552      0.18862926
+N      0.97429982      0.00276095      0.84788388
+C      2.82341162      1.34498322      0.05210242
+C      2.14599117      2.50413046      0.16157022
+C      4.27962322      1.29589484     -0.18833944
+C      4.94666049      2.08692510     -1.04454923
+H      3.36382151     -0.83005191     -1.17381586
+H      2.17664611     -1.87903336     -0.53706743
+H      0.55934236     -0.93879454      0.81923110
+H      1.06966190      2.48903480      0.33176818
+H      2.66408382      3.46235150      0.11946931
+H      4.83594741      0.54349301      0.38181203
+H      4.42548365      2.81395386     -1.67153566
+H      6.03130345      2.02568712     -1.14264669 
+
+13
+-1392.1257183659395 12.05203 12.14608 -9.1707 -7.1054 -8.975 -0.0182 -1.5792 -0.249 8.48819 0.76062 4.0235440776 5.3474789842 0.273438118
+N      1.03233336     -0.03858253      0.39667214
+C      2.36368486     -0.09149524     -0.01818070
+N      3.00058438     -1.12410515     -0.45010960
+C      3.07004426      1.23624878     -0.02591654
+C      2.39710973      2.40861068     -0.09524521
+C      4.49409641      1.20820011      0.01840550
+C      5.70809669      1.21613560      0.07350203
+H      0.81752252      0.64520038      1.11930342
+H      0.59939671     -0.94310608      0.56460031
+H      2.41276307     -1.96859500     -0.40466186
+H      1.31121721      2.43399674     -0.17887044
+H      2.93393007      3.35586900     -0.11380342
+H      6.77781072      1.20465270      0.11352437 
+
+13
+-1395.7096754926263 13.473419 13.48279 -8.6971 -6.8739 -8.859 -0.0288 -1.6596 -0.332 8.25848 0.76736 3.5280464272 6.1115675064 0.353030375
+N      1.04197769      0.01587172      0.00000000
+C      2.42269278     -0.08707325      0.00000000
+N      3.13527114     -1.16859529      0.00000000
+C      3.09698896      1.18502061      0.00000000
+C      3.63943367      2.27900173      0.00000000
+C      4.35087472      3.50182226      0.00000000
+C      3.78193465      4.72393413      0.00000000
+H      0.59159103      0.92242849      0.00000000
+H      0.46520014     -0.81619921      0.00000000
+H      2.53014321     -2.00266481      0.00000000
+H      5.44267397      3.41621688      0.00000000
+H      2.69850979      4.84826170      0.00000000
+H      4.39715826      5.62320505      0.00000000 
+
+11
+-1239.542627492155 13.294319 13.25504 -9.0321 -7.1741 -9.058 -0.0887 -1.7163 -0.257 8.46978 0.77692 3.0354004548 8.4041802338 0.524741812
+N      1.02986139      0.03916299      0.00000000
+C      2.40555656     -0.10004591      0.00000000
+N      3.09972438     -1.19210599      0.00000000
+C      3.11297149      1.15413264      0.00000000
+C      3.69646672      2.22989306      0.00000000
+C      4.35149122      3.41803328      0.00000000
+C      4.93441256      4.49065325      0.00000000
+H      0.60121354      0.95655372      0.00000000
+H      0.43172592     -0.77787880      0.00000000
+H      2.48431647     -2.01835105      0.00000000
+H      5.45272974      5.42719280      0.00000000 
+
+17
+-1692.1305419337903 12.385473 13.19228 -9.0999 -7.0912 -9.646 0.7019 -0.3085 0.973 9.20019 -0.37943 5.0182341612 6.6687233946 0.413041805
+N      1.71448514     -0.69442580      1.69549116
+C      2.05006951     -0.65193636      0.34395711
+N      1.73572607     -1.52230076     -0.55216490
+C      2.97480680      0.48725141     -0.03519744
+C      4.45994543      0.11560334      0.17944116
+C      5.39138865      1.20757604     -0.25587863
+C      6.28920504      1.81421762      0.52913454
+H      1.71631096      0.18610064      2.20291250
+H      0.96106977     -1.32289515      1.96190234
+H      1.14213948     -2.26830116     -0.16101198
+H      2.73781011      1.39591669      0.54245376
+H      2.80109726      0.70938041     -1.09672159
+H      4.65686849     -0.79756210     -0.40781081
+H      4.63924928     -0.13324347      1.23726085
+H      5.30830986      1.51654238     -1.30521461
+H      6.40573531      1.53611205      1.58025759
+H      6.94297285      2.60052423      0.14878895 
+
+15
+-1536.0245848832478 11.860398 12.86488 -9.2447 -7.2232 -9.879 0.6411 -0.3897 0.905 9.2744 -0.30416 4.3684731296 10.7298848246 0.726545336
+N      2.55202846     -1.34940436      1.16402323
+C      2.69320458     -0.68902801     -0.05470811
+N      2.52973243     -1.19414453     -1.22776589
+C      3.21029495      0.73104674      0.06192417
+C      4.75791745      0.75808495      0.12644302
+C      5.29069069      2.10564762      0.27160880
+C      5.71125319      3.23793428      0.39533239
+H      2.35728795     -0.78054880      1.98353230
+H      2.05513386     -2.23620719      1.15082494
+H      2.21339555     -2.17361183     -1.17444170
+H      2.80163119      1.23054421      0.95404566
+H      2.87537399      1.28658663     -0.82210583
+H      5.15266176      0.29743559     -0.79320659
+H      5.10579389      0.13368996      0.96552525
+H      6.09357007      4.23250473      0.50064837 
+
+12
+-1306.1936396302897 12.617259 11.95128 -8.8406 -6.9895 -9.105 0.1018 -1.52 -0.516 8.42892 0.9656 4.6442923852 4.6442923852 0.56427116
+N      0.90664321      0.01851029      0.27733840
+C      2.18504207     -0.02909938      0.29038071
+N      2.92459378      1.13526169      0.14647778
+C      4.29285783      1.20216502      0.14219472
+C      5.01607266      2.34325943     -0.00134030
+C      6.42976213      2.33161333      0.00402015
+N      7.60198633      2.35104312      0.00439113
+H      0.51013442     -0.91890669      0.39419723
+H      2.81668510     -0.92460838      0.40738697
+H      2.37209907      1.98735815      0.03518937
+H      4.79739728      0.24207343      0.26635072
+H      4.52814610      3.31245998     -0.12667687 
+
+14
+-1441.5703638193463 10.698657 11.47918 -9.1728 -7.2072 -9.831 0.506 -0.4829 0.671 8.99826 -0.13292 4.9088165162 9.141177815 0.159164185
+N      3.03169915      3.97846077     -1.78302280
+C      2.48077490      3.68027501     -0.65752181
+N      3.03167434      2.75323131      0.18946179
+C      4.25514883      2.04426894     -0.13316073
+C      5.50842453      2.94846301     -0.01812906
+C      6.73621739      2.20943454     -0.27963218
+N      7.70230115      1.58680775     -0.48112633
+H      2.46000115      4.66109405     -2.28748743
+H      1.54313943      4.10654849     -0.26191170
+H      2.60119011      2.61268709      1.09473249
+H      4.18565486      1.67345071     -1.16617135
+H      4.34638205      1.18204383      0.53987794
+H      5.56911334      3.39047462      0.98817826
+H      5.41126878      3.76809987     -0.74580708 
+
+12
+-1305.3053020247717 11.511658 11.49223 -9.4097 -7.5352 -9.795 -0.7121 -2.4274 -1.068 9.13815 1.41052 4.4865945918 4.8260806584 0.360824162
+N      0.96929208      0.00060941      0.01812021
+C      2.34434646     -0.09380208     -0.16177450
+N      3.04099368     -1.17051594     -0.30302945
+C      3.02095458      1.22351744     -0.25676700
+C      4.35609247      1.32565407     -0.40764241
+C      5.03139739      2.56908341     -0.49680889
+N      5.61515391      3.58125010     -0.57148725
+H      0.59745658      0.85692035      0.41937580
+H      0.47908476     -0.84183826      0.30391384
+H      2.46396987     -2.01629325     -0.21436594
+H      2.40845990      2.12660097     -0.20286105
+H      4.95112832      0.40962379     -0.46761336 
+
+12
+-1301.1276822869092 10.792767 10.95958 -9.6892 -7.7583 -9.935 -0.4883 -2.1932 -0.83 9.35272 1.359 4.6423086092 5.286949019 0.378282159
+N      0.98353783     -0.06011551      0.19369560
+C      2.36470035     -0.10971747      0.02849376
+N      3.11251190     -1.15370460     -0.05980343
+C      3.05046441      1.22228065      0.04715895
+C      2.50548249      2.34874584      0.55271061
+C      4.38061920      1.25964378     -0.48979016
+N      5.45590522      1.36254534     -0.93420019
+H      0.50597045      0.73495164     -0.22531793
+H      0.49940108     -0.94023744      0.03685790
+H      2.55884381     -2.02118141     -0.05387218
+H      1.51439842      2.34041937      1.00466690
+H      3.05954484      3.28588982      0.55469017 
+
+10
+-1143.835843716773 11.635536 11.83363 -9.6794 -7.8288 -10.024 -0.6053 -2.376 -0.933 9.30711 1.22053 3.4348585496 10.6640482586 1.234323466
+N      1.02380695      0.03828186      0.00000000
+C      2.39680474     -0.08945193      0.00000000
+N      3.11756389     -1.16152270      0.00000000
+C      3.09898203      1.17162399      0.00000000
+C      3.68458103      2.24229031      0.00000000
+C      4.34082030      3.43659619      0.00000000
+N      4.89590082      4.47170044      0.00000000
+H      0.58335694      0.95038465      0.00000000
+H      0.43341160     -0.78468212      0.00000000
+H      2.53043170     -2.00753069      0.00000000 
+
+14
+-1448.4015339776922 10.462546 11.1476 -9.3214 -7.3278 -10.132 0.7564 -0.3572 0.764 9.40857 -0.18239 5.0227596502 11.3217567928 0.203168024
+N      2.28312819     -1.25095081      0.79898042
+C      2.36805931     -0.32621646     -0.23225908
+N      1.81244512     -0.39857357     -1.39303379
+C      3.16877706      0.92292589      0.09029392
+C      4.69780541      0.72419000     -0.05445353
+C      5.25518788     -0.16934529      0.95600294
+N      5.65082100     -0.88621977      1.78780899
+H      3.01431997     -1.24205346      1.50755459
+H      1.97315170     -2.18606484      0.54698260
+H      1.30787162     -1.28925932     -1.51184334
+H      2.93925554      1.27904925      1.10579809
+H      2.85979139      1.69144008     -0.62734214
+H      5.20822845      1.69539312      0.03245860
+H      4.92921738      0.32157519     -1.05268827 
+
+17
+-1688.0405954977564 11.820583 12.34953 -8.3309 -6.3044 -9.054 0.8366 -0.0985 0.991 8.56073 -0.30014 4.9170739838 5.6639656478 0.172663627
+N      1.35319843     -0.09841041      0.80760023
+N      2.44179561     -0.01367043     -0.05026553
+C      2.93460231      1.15460448     -0.26389186
+C      2.45982314      2.48449024      0.29847963
+C      3.40865046      3.52598277     -0.33003799
+C      4.69806663      2.73477765     -0.62308432
+C      4.18077152      1.36610328     -1.09952021
+H      0.84263375     -0.95657769      0.60710766
+H      0.72143831      0.71112142      0.78482930
+H      2.54740371      2.46395464      1.40013455
+H      1.39771219      2.68923054      0.07549657
+H      2.97950819      3.89398004     -1.27635511
+H      3.57501513      4.39957368      0.31547146
+H      5.34842150      3.23262723     -1.35542753
+H      5.27740224      2.60958688      0.30644660
+H      3.91195905      1.41881281     -2.17039085
+H      4.89706783      0.54235287     -0.98274260 
+
+13
+-1410.016863532631 12.742209 11.29659 -8.1433 -6.2355 -8.392 -0.4825 -2.0316 -1.056 7.65314 1.44917 2.8990158548 7.363032596 0.316939846
+N      0.96165612     -0.13165161      0.11627959
+N      2.29155158     -0.08168771      0.05275313
+C      2.88808192      1.08850497      0.03515297
+C      2.35259056      2.45130968      0.03147639
+C      3.42899043      3.29557586     -0.00682873
+C      4.66887527      2.51447968     -0.02958643
+C      4.34908662      1.18901385     -0.00130706
+H      0.56646196     -1.03860729     -0.10721780
+H      0.39443543      0.69226077     -0.10118773
+H      1.30754821      2.75081312      0.06871815
+H      3.38364034      4.38407533     -0.01582593
+H      5.66974316      2.94016858     -0.06409115
+H      5.01446839      0.32985475     -0.00864541 
+
+15
+-1546.2689908764323 11.606167 11.7697 -8.3909 -6.3591 -8.881 0.8573 -0.1031 0.954 8.5393 -0.26238 4.8971742308 6.0761075104 0.25102168
+N      1.16847373     -0.01363661      0.56950648
+N      2.40543757      0.01181938     -0.05442391
+C      2.98913144      1.15072771     -0.16304356
+C      4.38108774      1.29515743     -0.75703654
+C      4.63128567      2.77695743     -0.65803353
+C      3.60040672      3.43620447     -0.10772381
+C      2.46604002      2.51470290      0.26406171
+H      0.66293053     -0.84565179      0.27018158
+H      0.59707872      0.82937864      0.43430880
+H      4.42362278      0.93087221     -1.79831631
+H      5.12598834      0.70444914     -0.19577440
+H      5.55593341      3.24287018     -1.00081257
+H      3.56485402      4.51301506      0.06244334
+H      2.23058187      2.53589600      1.34522013
+H      1.52339745      2.78329787     -0.25469742 
+
+15
+-1548.4081481851952 12.344506 11.84667 -7.852 -5.9151 -8.405 0.5903 -0.9452 0.003 7.94125 0.53156 4.554563717 4.7263835158 0.314779815
+N      1.07248920     -0.07020645     -0.48807557
+N      2.35718490     -0.01433057      0.02810807
+C      2.93483017      1.13933809      0.11826845
+C      4.36984953      1.27368357      0.61686592
+C      4.63524732      2.80047775      0.65936160
+C      3.37880767      3.41071899      0.09517959
+C      2.44264838      2.48190364     -0.19580660
+H      0.62872172     -0.92729869     -0.16332290
+H      0.48030563      0.73970704     -0.27120710
+H      5.05848580      0.76329213     -0.07240158
+H      4.49053820      0.79881007      1.60010128
+H      5.51989579      3.09276683      0.07035222
+H      4.82105484      3.16458292      1.68421602
+H      3.26127189      4.48513320     -0.05475496
+H      1.46688897      2.70574148     -0.62691443 
+
+17
+-1664.4253983216709 12.194183 12.8053 -8.5212 -6.4685 -9.187 1.2711 -0.0963 0.84 8.74049 -0.21456 4.917780704 5.6587582358 0.187361582
+N      0.87692541      1.97335681     -0.71523377
+N      2.25075970      1.98516093     -0.83376023
+C      2.92718325      1.14999457     -0.12937710
+C      4.41835954      1.17084739     -0.10247892
+C      5.19864027      2.20450783     -0.95539507
+C      6.20401434      2.36002122      0.21635927
+C      5.13931336      1.74961931      1.16534260
+H      0.45404280      2.30559357     -1.58003668
+H      0.47686749      1.07066853     -0.42660913
+H      2.41931710      0.40105239      0.51122554
+H      4.79978229      0.15107197     -0.28784345
+H      4.59235863      3.10831936     -1.10319844
+H      5.58194038      1.86969830     -1.92861667
+H      7.07065475      1.69253269      0.10083170
+H      6.56690193      3.37068480      0.44699662
+H      5.47211270      1.03891827      1.93443976
+H      4.52248606      2.52910204      1.63561398 
+
+17
+-1662.9264417313925 12.346261 13.18189 -8.612 -6.5321 -9.238 1.2025 -0.1038 0.812 8.80114 -0.21028 4.9469670084 11.416134936 0.245391872
+N      0.73231817      1.07100482     -0.05115039
+N      1.97739253      1.06416199     -0.64426698
+C      2.99954454      1.32014752      0.09103287
+C      4.38993264      1.24758646     -0.46654280
+C      5.14786345      2.55830973     -0.33601222
+C      5.86140181      2.90326245      0.95233542
+C      6.65679644      2.56048308     -0.28738934
+H      0.02216971      1.30082577     -0.74405188
+H      0.65313358      1.67047015      0.78100404
+H      2.88626409      1.60831561      1.15440212
+H      4.32259475      0.93959023     -1.52129308
+H      4.95804487      0.46107540      0.06465607
+H      4.68614667      3.39809255     -0.86255207
+H      5.83888176      2.16544934      1.75674025
+H      5.85372542      3.93986703      1.29061907
+H      7.18944651      3.36348501     -0.79757906
+H      7.16241306      1.59353287     -0.31386202 
+
+15
+-1525.1461713491358 13.479018 12.65 -7.8818 -6.0683 -8.404 0.0337 -1.5115 -0.405 7.86341 0.97814 4.120364745 5.705277783 0.36430733
+N      1.26846176     -0.16750407      0.03497756
+N      2.61043894      0.06908612      0.06012399
+C      3.02428459      1.31299151      0.03026350
+C      2.11190060      2.46213350      0.07150562
+C      2.38343259      3.69886966     -0.38532614
+C      4.47858314      1.54410594      0.00194574
+C      5.40011483      0.66186279     -0.41922014
+H      1.08130444     -1.14557637     -0.16894649
+H      0.68830230      0.47115987     -0.51683627
+H      1.14292205      2.28436855      0.55202711
+H      3.32149068      3.93441046     -0.89195899
+H      1.66457708      4.51139404     -0.27157817
+H      4.80223574      2.52605792      0.35943639
+H      5.10989930     -0.31739743     -0.80255640
+H      6.46332195      0.89831751     -0.37268731 
+
+13
+-1367.814000497111 13.150033 12.27013 -8.1515 -6.3072 -8.435 -0.0798 -1.6192 -0.517 7.93768 1.07537 3.9639192102 4.1594947266 0.230014779
+N      1.04136065     -0.24887347     -0.02802618
+N      2.38933782     -0.12472141     -0.02574313
+C      2.92450063      1.06804000     -0.16819810
+C      2.17673877      2.31642309     -0.35736670
+C      2.71252314      3.54956389     -0.31258967
+C      4.35234267      1.11909163     -0.14546359
+C      5.56270172      1.23771870     -0.11923340
+H      0.76034895     -1.15072232      0.34672653
+H      0.47528541      0.53013793      0.32018655
+H      1.11363816      2.22027693     -0.59526417
+H      3.77261042      3.69705641     -0.09940319
+H      2.10212846      4.43394954     -0.49528023
+H      6.63062321      1.30902909     -0.09605471 
+
+11
+-1211.085092103188 12.682097 12.13356 -8.161 -6.3071 -8.265 0.0119 -1.5528 -0.424 7.78186 0.96111 3.8410738814 7.4849852256 0.452121955
+N      0.99301448      0.00520600     -0.00043037
+N      2.31576746     -0.04945501     -0.00014685
+C      2.98829775      1.08984371      0.00004786
+C      2.32272574      2.35017415      0.00011880
+C      1.63334662      3.35567728     -0.00002692
+C      4.41028396      1.04743689      0.00016157
+C      5.62633637      1.07866118      0.00002057
+H      0.50873699     -0.88238189      0.00008611
+H      0.48409854      0.89401375      0.00036872
+H      1.08329362      4.27479782     -0.00013837
+H      6.69674847      1.08483613     -0.00008112 
+
+15
+-1533.1817347505087 16.725825 13.8156 -7.6084 -5.8577 -8.042 -0.0927 -1.551 -0.704 7.49611 1.25039 4.0704231842 4.0704231842 0.970552252
+N      0.64884910      2.74772467      0.08398790
+N      1.66947166      1.84838635      0.09447563
+C      2.88290745      2.31416537      0.13951407
+C      4.01061663      1.42919953      0.07837773
+C      5.30681249      1.84361098      0.13193553
+C      6.44232423      0.95664760      0.07347170
+C      7.73157546      1.35606712      0.12424220
+H     -0.21720610      2.33414355      0.42038406
+H      0.84251331      3.67450960      0.48320981
+H      3.07418295      3.40058024      0.22525823
+H      3.78033191      0.36324773     -0.01550930
+H      5.51747539      2.91602235      0.22361245
+H      6.22129106     -0.11281122     -0.01935003
+H      7.99521063      2.41234418      0.21582979
+H      8.55188381      0.64039195      0.07473022 
+
+13
+-1374.338744070502 15.707664 13.4131 -7.9068 -6.0995 -8.175 -0.2273 -1.6973 -0.665 7.70986 1.16339 3.9269341864 4.0014497724 0.654386237
+N      0.87589258      0.12615982      0.33734951
+N      2.22839639      0.03836869      0.34201204
+C      2.90816504      1.14356419      0.24624400
+C      4.33984179      1.10955902      0.17432348
+C      5.11197221      2.22919187      0.08543110
+C      6.51990212      2.22375141      0.01847481
+C      7.73775477      2.26205886     -0.03774763
+H      0.43881427     -0.68874472      0.75973433
+H      0.45795839      1.02058319      0.62079745
+H      2.40255150      2.12680255      0.21829163
+H      4.80783751      0.12244220      0.19655359
+H      4.62577957      3.21111328      0.06135466
+H      8.80676385      2.28125964     -0.08984896 
+
+15
+-1527.0671010085712 13.761825 12.87419 -8.0306 -6.1893 -8.478 0.2514 -1.2843 -0.336 7.94969 0.88463 4.6270583312 4.6270583312 0.437760432
+N      0.95509070      1.78308788     -0.04089116
+N      2.30894164      1.90294150     -0.14947396
+C      3.02176183      0.82858990     -0.04562432
+C      4.48149193      0.86474419     -0.07622309
+C      5.17425864     -0.29868278      0.00789771
+C      5.13565872      2.17938820     -0.23294833
+C      6.34787405      2.50194742      0.24204304
+H      0.47833837      2.54524096     -0.51678331
+H      0.55978005      0.86098400     -0.26370928
+H      2.54746297     -0.16390245      0.06792885
+H      4.65926284     -1.25078681      0.14563758
+H      6.26037147     -0.32248798     -0.07396504
+H      4.54184075      2.93680102     -0.75059961
+H      6.94658295      1.79946232      0.82611428
+H      6.77007310      3.49321262      0.07351663 
+
+13
+-1368.2523998781712 13.200292 12.65046 -8.2023 -6.3035 -8.548 -0.1338 -1.6526 -0.372 8.07781 0.93478 4.0743907362 6.0893740124 0.312094501
+N      0.87826270      0.18067565      0.08125537
+N      2.22965879      0.03994093      0.13136523
+C      2.95794277      1.10103262      0.03542999
+C      4.43023857      1.02283650     -0.01519595
+C      5.12008139     -0.14079530     -0.11845004
+C      5.10988655      2.27887914      0.04884892
+C      5.64606890      3.36947767      0.10797713
+H      0.40674045     -0.58821261      0.55104895
+H      0.50180559      1.10340229      0.33237112
+H      2.51290260      2.10977481     -0.00969617
+H      4.58561904     -1.08798423     -0.17905443
+H      6.20792880     -0.14306891     -0.13925112
+H      6.13811384      4.31925144      0.15412098 
+
+13
+-1372.6528473515157 15.845305 14.03887 -7.9239 -6.0959 -8.195 -0.1732 -1.6607 -0.513 7.70491 1.04252 3.3961377218 3.7948271034 0.398368715
+N      0.96746178     -0.01837616     -0.17409376
+N      2.31534635     -0.11293595     -0.09300842
+C      2.99116174      1.00144769     -0.07160343
+C      4.39720696      1.01148816     -0.05968475
+C      5.61810384      1.12573436     -0.04411540
+C      7.02721591      1.17077162     -0.02744343
+C      7.77024502      2.29793519      0.02362812
+H      0.50497178     -0.85630191      0.16748197
+H      0.53094590      0.85940563      0.13255043
+H      2.47724412      1.97974990     -0.06295258
+H      7.53305873      0.19946806     -0.05961770
+H      7.30656259      3.28427958      0.05676536
+H      8.85839527      2.24544381      0.03342359 
+
+11
+-1217.16536504497 15.526582 13.78253 -8.1687 -6.3787 -8.31 -0.2296 -1.773 -0.488 7.83457 1.09411 2.9363728366 7.4111267654 0.976963955
+N      0.93269081      0.04324101      0.16133400
+N      2.27207705     -0.08716868      0.08758277
+C      2.98058408      1.00702167      0.04366694
+C      4.38408297      0.97230447      0.03177999
+C      5.61114453      1.04674943      0.01176925
+C      6.96349969      1.10524849     -0.00883614
+C      8.18495505      1.16302438     -0.02367408
+H      0.44156340     -0.79531905     -0.13442465
+H      0.50930807      0.92630913     -0.14680939
+H      2.50006347      2.00165812      0.01573450
+H      9.25396088      1.20995102     -0.03807319 
+
+17
+-1664.5857181667404 13.113928 13.68306 -8.5893 -6.5788 -9.242 1.3527 -0.1374 0.758 8.81965 -0.15802 4.93960224 6.6734596598 0.425977442
+N      0.59096114      1.11601941     -1.11587239
+N      1.95811732      0.96759144     -1.20304274
+C      2.65996089      1.17544505     -0.14677915
+C      4.15591451      1.13771819     -0.19294671
+C      4.79752735      2.51676261      0.09394465
+C      6.29643491      2.47502904      0.04407306
+C      7.11161451      2.76539364      1.06451759
+H      0.13402620      0.52618076     -1.80857056
+H      0.19762622      0.96933268     -0.17720361
+H      2.17852672      1.41465577      0.82201234
+H      4.46306103      0.77667610     -1.18604181
+H      4.53309533      0.41658966      0.55303171
+H      4.46793052      2.88733842      1.07866626
+H      4.42155926      3.23009277     -0.65986292
+H      6.73419586      2.16815143     -0.91374529
+H      6.71863132      3.07402866      2.03712502
+H      8.19662691      2.71069435      0.96343456 
+
+15
+-1508.600306759259 12.587931 13.33275 -8.7383 -6.7122 -9.284 1.2902 -0.2737 0.685 8.84982 -0.09045 4.3683119478 10.6012865454 0.466410568
+N      0.82272930      1.06925959     -0.98971425
+N      2.18516229      0.94310520     -1.11961341
+C      2.91967199      1.16228535     -0.08782472
+C      4.41296196      1.13699186     -0.18945110
+C      5.03902892      2.53710130      0.04261912
+C      6.49564768      2.51888343      0.01810502
+C      7.70875097      2.47331338     -0.00820910
+H      0.35002588      0.48170423     -1.67324585
+H      0.45674442      0.92157269     -0.04043512
+H      2.47059833      1.39650501      0.89766409
+H      4.69654882      0.76658149     -1.18378049
+H      4.82986470      0.44290291      0.55890019
+H      4.69787172      2.94050695      1.01143499
+H      4.66537728      3.22873476     -0.73026878
+H      8.77884574      2.44427182     -0.03154061 
+
+15
+-1582.3620252818491 9.959953 10.96849 -9.5599 -7.4646 -11.021 0.9482 0.0909 2.679 10.71779 -2.61683 8.3622481686 10.3968956244 0.144502436
+C     -0.93717088      0.00011009     -1.18999424
+C     -0.63383525      1.03046720     -0.06830587
+C     -1.31565474      0.00003981      0.90274106
+C     -0.63382884     -1.03032067     -0.06838776
+C      0.84670342     -0.73399488      0.26447452
+O      1.59287920      0.00018185     -0.74124280
+C      0.84670240      0.73412810      0.26454722
+H     -2.00159082      0.00012267     -1.45533503
+H     -0.29943965      0.00013736     -2.08072414
+H     -0.94797455      2.07911862     -0.13189767
+H     -0.99394787      0.00000617      1.95588248
+H     -2.41299524      0.00003565      0.83505972
+H     -0.94796760     -2.07897034     -0.13203328
+H      1.43288027     -1.36264202      0.93764226
+H      1.43276016      1.36271041      0.93791353 
+
+15
+-1600.6799708861192 10.366994 11.09513 -8.2807 -6.1942 -8.748 0.9455 0.0525 1.279 8.31261 -0.71207 5.7559012668 5.7559012668 0.229021407
+C     -1.04396582     -0.01526094     -1.03284063
+C     -0.59360451      1.00383521      0.04504855
+C     -0.99511902     -0.05873718      1.10004580
+C     -0.62058961     -1.10964066      0.00259387
+C      0.88852988     -1.18373742     -0.03356620
+C      1.53338426     -0.00469158     -0.02431488
+O      0.84864640      1.18664243      0.01574076
+H     -2.13313041      0.03430551     -1.16307175
+H     -0.53317185      0.00244509     -2.00431604
+H     -1.01422247      2.01587119      0.07533025
+H     -0.44042167     -0.08015511      2.04706483
+H     -2.07714032     -0.01555832      1.28186533
+H     -1.11991474     -2.08598166     -0.00587841
+H      1.43295879     -2.12567180     -0.06523210
+H      2.61279108      0.14357523     -0.04604938 
+
+15
+-1597.1008209039533 9.997598 11.03276 -9.5867 -7.441 -10.725 0.9489 0.0577 2.818 10.4301 -2.62716 8.4390698942 11.2542216186 0.256921684
+C     -1.64559802      0.87027811      0.64158550
+C     -1.44069186     -0.33125653     -0.24641762
+C     -0.43018040     -1.41130792      0.15398790
+C      0.92919723     -0.72858327      0.20114290
+O      1.04938649      0.33925696      1.17307231
+C      0.77462360      0.68319697     -0.20943866
+C     -0.67901434      0.96311016     -0.51935891
+H     -2.59235210      1.40224925      0.54042018
+H     -1.21369200      0.85998061      1.64238587
+H     -2.26879296     -0.62532845     -0.89368547
+H     -0.67371791     -1.90067700      1.10999143
+H     -0.39811786     -2.19662500     -0.61821978
+H      1.84455658     -1.30904562      0.04368149
+H      1.56184838      1.25235835     -0.71091176
+H     -0.90940484      1.60298338     -1.37137537 
+
+15
+-1614.1447391893666 9.84055 10.85862 -8.9253 -6.8611 -10.75 0.9646 0.0823 3.061 10.27254 -2.81438 8.5616920482 10.7483711372 0.169720715
+C      0.56171210      1.24583230      0.65716401
+C     -0.87732647      0.80539520      0.42346421
+C     -0.88674248      0.00763959     -0.89082701
+C      0.54693573     -0.00547950     -1.40442724
+C      1.20615428      0.01050086     -0.00827070
+O      0.55209383     -1.09648157      0.66828426
+C     -0.80346253     -0.70776929      0.44212816
+H      0.82549664      2.18328212      0.14681158
+H      0.81854836      1.31716627      1.72350984
+H     -1.74455300      1.35545228      0.78310032
+H     -1.76117393     -0.05196020     -1.53566255
+H      0.79213948     -0.92002499     -1.96266490
+H      0.81004034      0.87835149     -2.00318834
+H      2.29159869     -0.11107553      0.05770850
+H     -1.54846103     -1.38197901      0.85670987 
+
+15
+-1578.464175114872 9.998482 11.05913 -9.1934 -7.2061 -10.656 0.9677 0.1126 2.734 10.22617 -2.71022 8.2556326072 12.7921067668 0.208078497
+C      1.77928510     -0.00021911     -0.50988418
+C      0.80784025      0.76367006      0.35804438
+C      0.80778373     -0.76402945      0.35804681
+C     -0.64087185     -0.97759499     -0.12199485
+C     -0.84969318     -0.00011654     -1.29667184
+C     -0.64080474      0.97734137     -0.12199368
+O     -1.38577362     -0.00010145      0.72543856
+H      1.68138722     -0.00022007     -1.59547840
+H      2.81591448     -0.00025626     -0.16702211
+H      1.16451250      1.33268146      1.21568988
+H      1.16441289     -1.33306471      1.21569387
+H     -1.06021357     -1.99032204     -0.09222554
+H     -1.89746988     -0.00008322     -1.61342510
+H     -0.17547119     -0.00013557     -2.16321244
+H     -1.06006815      1.99010051     -0.09221537 
+
+13
+-1378.62914315937 8.762994 9.75757 -9.3479 -7.2656 -11.393 1.0444 0.1583 2.461 11.03649 -2.28684 8.3536683374 11.492634298 0.161807932
+C     -0.89087318      0.00033508     -1.29036198
+C     -0.65314370      0.97903719     -0.12225161
+O     -1.33468472      0.00008591      0.77117393
+C     -0.65326827     -0.97870424     -0.12252870
+C      0.82680358     -0.73338080      0.27488907
+O      1.61245881      0.00016088     -0.69890921
+C      0.82688986      0.73343301      0.27511723
+H     -1.94399234      0.00051187     -1.58802962
+H     -0.20157836      0.00040470     -2.14201414
+H     -1.06421144      1.99299023     -0.06314524
+H     -1.06445148     -1.99262546     -0.06367885
+H      1.37103609     -1.36590749      0.97689208
+H      1.37113516      1.36567913      0.97737705 
+
+13
+-1396.26367603108 8.847712 9.75863 -9.9185 -7.7813 -11.4 0.8857 -0.0034 2.512 11.21379 -2.27564 8.7131285486 10.886404751 0.236493244
+C     -1.30778773      0.65637063      0.02178356
+C     -1.04715546     -0.83958515     -0.12644826
+O     -0.21014051     -1.42595626      0.88971417
+C      0.39797340     -1.06308580     -0.36318792
+C      1.08781357      0.29312945     -0.35702119
+O      1.01836542      0.98925517      0.90067421
+C      0.05525669      1.32774772     -0.11660445
+H     -1.96927433      0.99650035     -0.79117222
+H     -1.79412332      0.89934276      0.97810382
+H     -1.82834465     -1.49830895     -0.51974036
+H      0.80093298     -1.88370310     -0.96256105
+H      1.99050963      0.45507460     -0.95195839
+H      0.12897432      2.34984858     -0.50224191 
+
+13
+-1414.5666004581292 8.634286 9.63694 -9.3105 -7.1793 -10.797 0.9695 0.0847 2.867 10.51745 -2.58788 8.378415943 10.8852764784 0.139836258
+C      0.55004437      1.25121983      0.67959840
+C     -0.88666720      0.81257779      0.45196822
+C     -0.82174379      0.01437800     -0.85087460
+O      0.53233935      0.00757514     -1.30166332
+C      1.15848667      0.01159303     -0.00757127
+O      0.55089972     -1.08824625      0.69106149
+C     -0.80940179     -0.71458284      0.47482447
+H      0.81341572      2.17876386      0.15560842
+H      0.82830748      1.30809257      1.73959911
+H     -1.76128850      1.37490583      0.76922215
+H     -1.57503244     -0.04127989     -1.63128398
+H      2.24015564     -0.11814518     -0.08897291
+H     -1.55191523     -1.40918187      0.85665384 
+
+15
+-1518.9800359422911 10.553397 11.58025 -8.3266 -6.2357 -8.344 1.288 0.1287 1.875 7.93906 -1.47322 5.1905127082 11.346454804 0.157268311
+C     -1.75778229      0.92337942      0.34670916
+C     -1.36715508     -0.35162164     -0.35403300
+O     -0.46397046     -1.30572539      0.29378422
+C      0.77970506     -0.77860263     -0.21438955
+C      2.06561864     -0.09999550      0.13786886
+C      0.72040125      0.69541724      0.06817895
+C     -0.61338856      0.97178293     -0.65459832
+H     -2.71459205      1.35612037      0.04650069
+H     -1.52330665      1.03362892      1.40653999
+H     -2.05163899     -0.82667818     -1.05943841
+H      0.80240875     -0.96634213     -1.29724991
+H      2.48818069     -0.03435890      1.14192674
+H      2.81013646     -0.14627717     -0.66229267
+H      0.50547264      0.80439002      1.13745477
+H     -0.71893941      1.50385263     -1.60044153 
+
+13
+-1359.3063786214414 9.492723 10.2659 -8.4883 -6.3958 -9.302 1.013 0.1586 0.767 8.90721 -0.25806 5.8061031982 5.8061031982 0.234224122
+C      2.05026513     -0.17726585     -0.09085912
+C      0.65950052     -0.75637846      0.14912281
+O     -0.41479956     -1.40374176     -0.54040259
+C     -1.45667038     -0.49700139     -0.26544848
+C     -1.33133151      0.76343543      0.24275739
+O     -0.13266237      1.46814923      0.46606567
+C      0.77587446      0.64203111     -0.26925038
+H      2.60982011     -0.28462142     -1.02137756
+H      2.66211089     -0.17543733      0.81254215
+H      0.49820338     -0.85014261      1.22923221
+H     -2.44197794     -0.92368546     -0.44447817
+H     -2.21523605      1.35858553      0.46515281
+H      0.58456332      0.76754298     -1.34120675 
+
+15
+-1600.5977576359508 10.766189 11.71086 -8.1094 -6.0091 -8.872 0.9803 0.1172 1.285 8.46534 -0.70508 5.8390958728 12.6634712918 0.279210868
+C      0.73551547     -0.06705144     -0.00985712
+C      2.17976165      0.42087614     -0.03196662
+C      1.04545120      1.38774905     -0.18266858
+C      0.69298587      2.48405774      0.83212752
+C      0.31842750      3.62764444     -0.08064807
+C      0.43250970      3.21905627     -1.35140041
+O      0.84550731      1.92059421     -1.52100009
+H      0.30118651     -0.38474666      0.93955310
+H      0.38094464     -0.60492490     -0.88944499
+H      2.76328371      0.20027634     -0.92614429
+H      2.74356344      0.44055668      0.90222942
+H      1.55028253      2.72600947      1.48328711
+H     -0.14035944      2.17909650      1.48839923
+H      0.00495847      4.61617500      0.24126722
+H      0.24806144      3.75440117     -2.28068342 
+
+13
+-1397.7306624016073 9.619583 10.56523 -7.6762 -5.6439 -8.948 1.0522 0.2171 1.055 8.62923 -0.54731 5.6172725202 11.7189583424 0.310484955
+C      0.81256098     -0.07284384      0.03375201
+C      2.27257654      0.39608717     -0.14395575
+C      1.13352997      1.34432410     -0.29090967
+O      0.92412221      2.36785518      0.68942202
+C      0.49173670      3.47284017     -0.03628309
+C      0.42395204      3.18946744     -1.33933495
+O      0.80614805      1.87416937     -1.58111453
+H      0.47018468     -0.28967237      1.04574945
+H      0.37648589     -0.68165093     -0.75844787
+H      2.79391833      0.09454995     -1.05262195
+H      2.88743151      0.48667256      0.75167026
+H      0.27576494      4.37412206      0.52375465
+H      0.13441816      3.78232915     -2.19799058 
+
+17
+-1719.0926454961395 10.778812 12.12138 -9.4688 -7.197 -11.297 0.949 0.057 2.805 11.03408 -2.44271 9.0788624514 11.679047249 0.217025137
+C      0.67512831      1.07573603     -0.36770311
+C     -0.51458360      0.21932940      0.00216520
+C      0.85598165     -0.40429521     -0.11893978
+C      1.61864450     -0.91485739      1.08139678
+C      1.47651113     -0.20633737      2.44762899
+O      1.07461768     -1.44183688      3.10557641
+C      1.05841781     -2.14808432      1.83013077
+H      0.75577740      1.44611255     -1.38974428
+H      1.05015867      1.76445032      0.39147243
+H     -1.24694346     -0.00862099     -0.77246044
+H     -0.94118127      0.34634509      0.99850952
+H      1.00919935     -1.00871231     -1.01757435
+H      2.67653450     -1.04800014      0.80889685
+H      0.68288634      0.55866406      2.50925283
+H      2.40395674      0.20293936      2.87940870
+H      1.69551693     -3.04666786      1.85486209
+H      0.03183733     -2.42715435      1.53552139 
+
+17
+-1720.5145323107877 10.971932 12.55186 -9.8669 -7.7057 -11.553 0.9807 0.1123 2.771 11.24789 -2.45284 9.2247071832 11.7731278258 0.29490747
+C      1.09599796     -0.08038826      0.06806609
+C      0.84409509      0.43248204      1.47293747
+C     -0.05409231     -0.33786386      2.41067879
+C      1.43503436     -0.27932788      2.66848363
+C      2.38721886      0.44218965     -0.52048997
+C      3.63410617     -0.34047825     -0.51686714
+O      2.86097255     -0.19617321     -1.72619077
+H      1.12163217     -1.18239217      0.06390780
+H      0.26339577      0.21905347     -0.59158719
+H      0.78389877      1.52192536      1.55469955
+H     -0.46986451     -1.28010130      2.04973411
+H     -0.71482508      0.22321974      3.07200508
+H      1.79009588      0.31999704      3.50732988
+H      2.01673505     -1.18376739      2.48188440
+H      2.48558661      1.53669419     -0.53953064
+H      3.63017079     -1.34601130     -0.08134514
+H      4.60228187      0.17167214     -0.51783596 
+
+17
+-1715.1787256665405 11.138451 12.5838 -9.0996 -7.0108 -10.896 1.0671 0.1941 3.273 10.35066 -3.60196 8.6960432778 11.6590731044 0.220333622
+C     -0.35753720      0.09696328     -0.39218660
+C      0.61881459      0.71653005     -1.37903183
+C      1.07998745      0.25858779     -0.01669423
+O      1.82840487     -0.93142935      0.11449649
+C      3.21948319     -0.70692859      0.02679655
+C      4.05999301     -1.89574090     -0.31087639
+C      3.91270140     -0.76241272     -1.31311784
+H     -1.09536861      0.73311405      0.09681998
+H     -0.68856706     -0.92080482     -0.60047766
+H      0.56268689      1.78756982     -1.57769447
+H      0.90955081      0.10201744     -2.23052926
+H      1.33926497      1.02872978      0.72027739
+H      3.60155095      0.00358037      0.77024256
+H      3.52127921     -2.81818339     -0.52887772
+H      5.00843080     -2.02555308      0.21036932
+H      4.75982067     -0.09813278     -1.48871732
+H      3.28811405     -0.95692696     -2.18458895 
+
+17
+-1757.088339213471 10.553933 11.56024 -9.1218 -6.9926 -11.157 0.91 -0.0076 2.992 10.52679 -2.70718 9.0914842262 11.5405052926 0.119027127
+C     -1.26387513     -0.79343558     -0.51870840
+C     -1.23739402      0.77005377     -0.53278894
+C      0.00939300      1.07401304      0.31882902
+C     -0.02758979     -0.02666187      1.38580147
+C     -0.01265522     -1.14572627      0.32184577
+C      1.22642825     -0.72336845     -0.47928652
+O      1.18539531      0.73257430     -0.46087176
+H     -1.21406534     -1.22685826     -1.52812011
+H     -2.17577318     -1.17600931     -0.03708856
+H     -2.14456056      1.20359128     -0.08464444
+H     -1.12221990      1.18872684     -1.54139400
+H      0.12187801      2.11278669      0.65307885
+H     -0.94364309     -0.01991184      1.99350366
+H      0.85768944     -0.01680287      2.03634374
+H      0.02518525     -2.17965960      0.68857435
+H      2.16832706     -1.06175183     -0.01305746
+H      1.19975992     -1.07721002     -1.52376668 
+
+17
+-1736.5212366799817 10.720401 11.90899 -9.216 -7.028 -11.087 0.9714 0.0787 3.047 10.67146 -2.93862 8.925504168 10.9131981256 0.154830547
+C     -1.74127113      0.85672628      0.56225723
+C     -1.19490870     -0.25531709     -0.29618417
+C     -0.30595834     -1.33744586      0.29353575
+C      1.09778373     -1.25597559     -0.32074288
+O      1.68326719      0.06241304     -0.29220296
+C      0.85674976      1.08621907      0.28973358
+C     -0.53328057      1.11388877     -0.31038214
+H     -2.68557448      1.31271634      0.26456668
+H     -1.58797909      0.79477960      1.64242631
+H     -1.77383814     -0.53316076     -1.17959449
+H     -0.24482827     -1.23196427      1.38811154
+H     -0.71553786     -2.34074996      0.10277208
+H      1.78706259     -1.93984509      0.20483308
+H      1.05343887     -1.57085566     -1.37897221
+H      0.79946537      0.95974763      1.38816278
+H      1.39894815      2.02222828      0.09706408
+H     -0.66998908      1.73417528     -1.19799427 
+
+17
+-1738.1397153687665 10.904701 12.16116 -9.5068 -7.3332 -11.018 0.962 0.0878 2.848 10.69776 -2.51429 8.7393515876 10.801164376 0.307143834
+C      1.88899267      0.13205157     -0.73573517
+C      1.86749542     -0.13328770      0.75610592
+C      0.57544559      0.03377645     -0.00196854
+C     -0.34179863      1.24231122      0.22422123
+C     -1.71334005      0.69282010     -0.19087553
+O     -1.67357394     -0.70036218      0.15052243
+C     -0.37339335     -1.14748628     -0.25256650
+H      2.21629746      1.11530815     -1.07839333
+H      2.16680259     -0.69279162     -1.39582777
+H      2.13551299     -1.13398401      1.10101760
+H      2.17474851      0.67392715      1.42390860
+H     -0.35295474      1.52526301      1.28776014
+H     -0.04449693      2.12042016     -0.36687620
+H     -2.56099273      1.14163256      0.34345835
+H     -1.87244577      0.81484911     -1.28143923
+H     -0.38088620     -1.41585285     -1.32903666
+H     -0.13131289     -2.04399482      0.33640466 
+
+17
+-1760.640181153353 10.513895 11.57351 -9.389 -7.4551 -11.423 0.9542 0.0067 2.947 10.49595 -2.79393 9.2598076198 13.312686785 0.128678645
+C     -1.25986289     -0.78012365     -0.53862704
+C     -1.26241725      0.77866925     -0.53277445
+C     -0.00153774      1.07598502      0.30762461
+C      1.26718506      0.78197881     -0.52220512
+C      1.26972381     -0.77681979     -0.52676929
+C      0.00146548     -1.07970344      0.30042810
+O     -0.00433268     -0.00510455      1.27419012
+H     -1.20332330     -1.20968482     -1.54878699
+H     -2.15469927     -1.18224914     -0.04524854
+H     -2.15810393      1.17404422     -0.03547569
+H     -1.20824890      1.21608858     -1.53968553
+H     -0.00501422      2.03466321      0.84031009
+H      2.15760157      1.18075423     -0.01822414
+H      1.21959910      1.21829649     -1.52992750
+H      2.16098412     -1.17554706     -0.02422226
+H      1.22447862     -1.20748344     -1.53702625
+H      0.00025243     -2.04192394      0.82669991 
+
+17
+-1742.567811994161 10.567044 11.65197 -9.0787 -7.0231 -11.166 0.9393 0.0143 2.881 10.49824 -2.72548 9.0562102092 9.9499508916 0.108324723
+C     -1.15853410     -0.00137534      1.03524226
+C     -0.63774347     -1.01466314      0.00024566
+C      0.85519131     -1.29403729      0.20581571
+C      1.66097209     -0.00042688     -0.07229707
+C      0.85593157      1.29274126      0.20992042
+C     -0.63714887      1.01487155      0.00343066
+O     -0.79955135      0.00183910     -1.06028714
+H     -0.70673955     -0.00309254      2.03761805
+H     -2.25360444     -0.00114870      1.10192877
+H     -1.23323571     -1.91565207     -0.20837785
+H      1.00848504     -1.66186206      1.23424051
+H      1.19520687     -2.09159986     -0.47194722
+H      1.92398731      0.00118550     -1.13850810
+H      2.60874198     -0.00158155      0.48492624
+H      1.19644859      2.09229105     -0.46524863
+H      1.00939261      1.65717325      1.23952937
+H     -1.23212989      1.91685773     -0.20232165 
+
+17
+-1718.1003295316964 10.977236 12.25441 -9.1788 -7.0573 -10.443 0.9762 0.1308 2.715 10.10263 -2.41782 8.2723707172 11.7863323348 0.13783805
+C     -1.67757200      0.69224894      0.24777367
+C     -1.62735989     -0.75586460     -0.38445325
+C     -0.15652087     -0.74577705      0.10881299
+O      1.07530566     -1.21046334     -0.43493885
+C      2.01906647     -0.16888620      0.00954145
+C      1.21206234      1.08483143      0.55087923
+C     -0.14211291      0.74458080     -0.05360898
+H     -2.31301224      1.43731510     -0.24546793
+H     -1.91288392      0.65514279      1.32067728
+H     -1.70653955     -0.70339211     -1.47928691
+H     -2.30101454     -1.52676990      0.01054310
+H     -0.19484239     -0.99842417      1.19108243
+H      2.66604213     -0.58918743      0.79590851
+H      2.64081484      0.08989534     -0.86028486
+H      1.18895041      1.08425327      1.65043277
+H      1.66709854      2.02498715      0.20935693
+H     -0.07602208      0.92491996     -1.14180759 
+
+17
+-1737.6765615079148 10.656095 11.64897 -9.0759 -6.9516 -10.91 0.9199 0.0103 2.903 10.39183 -2.6944 8.805175755 10.8505356012 0.152984164
+C     -0.86827225      0.04742077     -1.16960623
+C     -0.64955094      1.08257850     -0.02300475
+C     -1.15462544     -0.02060522      0.95140535
+C     -0.58341533     -1.02740627     -0.08191668
+O      0.82152113     -1.22471166      0.14540780
+C      1.59579594     -0.04150802     -0.12802581
+C      0.85879653      1.26753687      0.21561467
+H     -1.92169733      0.00607168     -1.47812998
+H     -0.22935706      0.08224298     -2.06329206
+H     -1.18738925      2.04052346     -0.06122806
+H     -0.72749318     -0.05673984      1.96397606
+H     -2.25240388     -0.06331416      0.99761118
+H     -1.02154823     -2.03067623     -0.17144897
+H      1.86813745     -0.03521696     -1.19930882
+H      2.52699464     -0.15042996      0.44559058
+H      1.26453805      2.07301484     -0.41788777
+H      1.02637916      1.55921922      1.26518348 
+
+15
+-1604.5920883875503 10.49435 11.1717 -8.2652 -6.1861 -8.89 1.0182 0.0334 1.26 8.47545 -0.69253 5.8271932168 5.8271932168 0.224857559
+C      1.62659876     -0.14042158      0.25006048
+C      0.97263149     -1.53152299      0.51058326
+C     -0.22723819     -1.11753760     -0.39516941
+C     -1.38180517     -0.42097746      0.28089677
+C     -1.29909184      0.89931924      0.05041067
+O     -0.22238914      1.31235401     -0.70252923
+C      0.59655100      0.11913449     -0.87538851
+H      2.68419853     -0.13543464     -0.04590650
+H      1.48724788      0.56568214      1.07946432
+H      1.55085147     -2.35964120      0.07654540
+H      0.73352609     -1.77501787      1.55472097
+H     -0.55283064     -1.86554489     -1.13653179
+H     -2.18309339     -0.91317424      0.82651616
+H     -1.96694357      1.70335690      0.35582099
+H      0.98784671      0.13066567     -1.90027360 
+
+15
+-1541.5582115444643 9.66367 10.8698 -9.5689 -7.4182 -11.627 0.8974 -0.0155 2.484 11.01142 -2.18762 9.0044708514 10.9914580888 0.202307941
+C      1.91900427      0.14321464     -0.73287453
+O      1.71973553     -0.06233122      0.68344676
+C      0.56325743      0.08134709     -0.16973143
+C     -0.35548365      1.28124718      0.07246083
+C     -1.75441361      0.67139537     -0.10581498
+O     -1.61217777     -0.71623485      0.24052522
+C     -0.36658864     -1.11880606     -0.33579164
+H      2.34522677      1.11415481     -1.00970112
+H      2.32319784     -0.71911882     -1.27673708
+H     -0.20299069      1.63045052      1.10340751
+H     -0.15961050      2.11551013     -0.61429081
+H     -2.51795482      1.10052353      0.55521046
+H     -2.09638526      0.76663156     -1.15594590
+H     -0.49786183     -1.35621021     -1.41186422
+H     -0.00077507     -2.00772366      0.19426094 
+
+17
+-1716.5805185933255 10.932571 12.15342 -9.3805 -7.2813 -10.613 0.9349 0.0295 2.622 10.25291 -2.32138 8.3175884114 10.9822955234 0.23529002
+C     -1.78754550      0.67058647      0.35546396
+O     -1.77141693     -0.74603041     -0.07206817
+C     -0.32188792     -0.71682780      0.21927492
+C      0.90815540     -1.23400833     -0.49872997
+C      1.91879137     -0.09786798     -0.03632465
+C      1.08484470      1.14775903      0.50310037
+C     -0.28919652      0.76405689     -0.02835393
+H     -2.51697712      1.25633028     -0.21988729
+H     -1.98723847      0.74560159      1.43973450
+H     -0.21357667     -0.93060331      1.30469940
+H      1.25019236     -2.23340252     -0.19719934
+H      0.77052987     -1.22053774     -1.58957889
+H      2.58636986     -0.47695179      0.74927038
+H      2.55536659      0.20183411     -0.87954002
+H      1.10988445      1.18215650      1.60234815
+H      1.48423703      2.09741693      0.12240166
+H     -0.28477250      0.89640807     -1.12447109 
+
+13
+-1459.7006643958323 10.524603 11.114 -8.4561 -6.4299 -8.244 1.346 -0.1028 0.643 7.66722 -0.14053 4.6628530894 11.4796405652 0.520591863
+C      2.23700223      0.25749585      1.04125653
+C      2.10034536     -0.17303810     -0.47933902
+C      2.40621351      1.27812722     -0.83271145
+C      2.62427263      2.38306255     -1.59752725
+O      2.88000825      3.44898175     -0.74756868
+C      2.81837504      2.99438393      0.56144700
+C      2.52886636      1.66446316      0.53171413
+H      3.06216388     -0.22872043      1.58017519
+H      1.31463553      0.15182721      1.62929703
+H      1.09952111     -0.52600981     -0.76483165
+H      2.84701248     -0.90656868     -0.81422656
+H      2.64765132      2.62800164     -2.65359676
+H      3.00428230      3.75169371      1.31494150 
+
+17
+-1718.6515120566205 10.968783 12.21524 -9.3107 -7.1542 -10.509 0.946 0.0932 2.765 10.13016 -2.58011 8.3387528216 11.1152581098 0.316312788
+C     -1.72953517      0.66443488      0.32447061
+C     -1.69376571     -0.74939507     -0.36020132
+C     -0.19194935     -0.78323659      0.05335465
+C      1.17760267     -1.08015605     -0.51272621
+O      1.98108937      0.01061916      0.06534370
+C      1.12140094      1.07755712      0.60583240
+C     -0.21219664      0.74172284     -0.02105523
+H     -2.38856424      1.43230559     -0.10082397
+H     -1.91339088      0.57411292      1.40510785
+H     -1.83126898     -0.66367953     -1.44808549
+H     -2.34890539     -1.53620272      0.03545404
+H     -0.17647914     -1.05716466      1.12466765
+H      1.63751637     -2.02320417     -0.18248390
+H      1.20978905     -1.02091548     -1.61526054
+H      1.10564169      1.01869427      1.70873665
+H      1.56840277      2.03361153      0.29587498
+H     -0.15643736      1.01663596     -1.09077589 
+
+15
+-1609.8187594664917 10.281374 11.00414 -9.3557 -7.1694 -8.936 1.416 -0.103 1.202 8.41334 -0.5891 5.8013421358 5.8013421358 0.230398906
+C      0.39814423      1.54026536      0.38564490
+C      1.46659804      0.46979303      0.02934091
+C      0.61345246     -0.52386120     -0.82960078
+O     -0.26289591      0.38993706     -1.52880155
+C     -0.86049367      0.95289807     -0.33809271
+C     -1.26430375     -0.29118097      0.44078749
+C     -0.34158043     -1.21570853      0.13307942
+H      0.65336148      2.51650484     -0.04749394
+H      0.24221725      1.66511481      1.46531458
+H      1.91694269     -0.01265299      0.90684544
+H      2.26872818      0.89807759     -0.58625129
+H      1.16724846     -1.14504423     -1.54202781
+H     -1.64359846      1.67108675     -0.60467246
+H     -2.06197147     -0.34652770      1.17954976
+H     -0.20442910     -2.20766189      0.56008804 
+
+15
+-1606.3951619558459 10.568702 11.23375 -9.1572 -7.0086 -9.222 1.1803 -0.3747 1.071 8.73035 -0.45901 6.0432140246 6.0432140246 0.292912375
+C     -0.46951110     -1.58143437     -0.30184326
+C      0.79098726     -1.23557639      0.51570796
+C      1.19221414      0.21577239      0.38673459
+O      1.06792058      0.83191285     -0.90660845
+C      0.13262606      1.22169572      0.15390672
+C     -1.26855354      0.75400167      0.03353704
+C     -1.55035336     -0.54466990     -0.16815941
+H     -0.84685761     -2.57118307     -0.00350587
+H     -0.19191598     -1.66593722     -1.36622988
+H      1.62507272     -1.88807114      0.21447769
+H      0.60792390     -1.42684246      1.58753583
+H      2.08270503      0.52295044      0.95073779
+H      0.29161972      2.24517912      0.50818928
+H     -2.06576249      1.49630574      0.11189727
+H     -2.58982535     -0.86682338     -0.26888729 
+
+15
+-1544.6354174728533 9.621192 10.61106 -9.7504 -7.5854 -11.539 0.8989 -0.0234 2.668 11.53554 -2.47778 9.0319337504 10.7113489176 0.163303813
+C     -1.48944746      0.78787675      0.22474220
+C     -1.35546680     -0.69214586     -0.14286988
+C      0.03848698     -1.20834054      0.16596751
+O      1.05340876     -0.95452058     -0.83592511
+C      1.12643537     -0.23721948      0.40655913
+C      0.81881774      1.24366849      0.36818278
+O     -0.40390372      1.56285582     -0.28868512
+H     -2.40205395      1.22448898     -0.20401671
+H     -1.53898757      0.90101342      1.32756048
+H     -1.55555885     -0.83791771     -1.21542373
+H     -2.10231978     -1.27822669      0.41568111
+H      0.11452501     -2.20382390      0.61870745
+H      1.96671752     -0.51729378      1.05595060
+H      0.80234661      1.61223150      1.41661890
+H      1.60749013      1.78608358     -0.17458960 
+
+15
+-1563.4454355008295 9.35301 10.36217 -9.6152 -7.4369 -11.395 0.9424 0.0127 2.816 10.83619 -2.56947 9.1940454454 11.8752178982 0.149511996
+C     -1.27374295     -0.79268283     -0.53780351
+C     -1.24562002      0.76549912     -0.54046590
+C      0.01041746      1.01580038      0.31267677
+O      1.18013176      0.72964197     -0.48032060
+C      1.23828138     -0.72123867     -0.49396333
+C     -0.01967137     -1.09918660      0.30666617
+O     -0.03214978     -0.02622093      1.28716413
+H     -1.21493856     -1.22869982     -1.54452627
+H     -2.17318337     -1.18136787     -0.04312556
+H     -2.13546770      1.19533667     -0.06022700
+H     -1.13769787      1.20195301     -1.54130143
+H      0.12518100      1.99599874      0.78929688
+H      2.16517131     -1.05151497      0.00089326
+H      1.21640901     -1.09136601     -1.53105063
+H      0.01091970     -2.07013219      0.81353700 
+
+15
+-1508.0906130199385 9.786793 10.91242 -9.5754 -7.4093 -10.656 1.0146 0.0863 2.547 10.35553 -2.29405 8.0913015628 11.6872675208 0.12960266
+C     -1.85808904      0.67631169      0.27925729
+O     -1.80872125     -0.72550064     -0.21165298
+C     -0.35734413     -0.67989491      0.11225864
+C      0.94674865     -1.08640560     -0.54192043
+C      1.77825963      0.17228204     -0.02894066
+O      0.85356959      1.26421824      0.37013162
+C     -0.37500844      0.77911240     -0.16047481
+H     -2.61057378      1.26456851     -0.26096384
+H     -2.01808405      0.70512291      1.37024812
+H     -0.27693419     -0.86066429      1.20211159
+H      1.39530173     -2.02604011     -0.19349123
+H      0.88137827     -1.09349134     -1.63829909
+H      2.37903733     -0.07343919      0.85780075
+H      2.44137204      0.54806988     -0.82215590
+H     -0.40778236      0.94925041     -1.25405907 
+
+17
+-1722.7591624452004 10.890276 12.27447 -9.9144 -7.777 -11.629 0.967 0.0818 2.728 11.40155 -2.38326 9.2247195818 11.0180530858 0.128949283
+C      0.72066027      0.97942135     -0.37218533
+O     -0.31728522      0.03807146     -0.03083210
+C      1.04406032     -0.43963527     -0.14510735
+C      1.70817072     -0.93539108      1.11056755
+C      1.46291581     -0.20431739      2.45968971
+C      1.41614254     -1.59143385      3.15578396
+C      1.16066988     -2.23836618      1.76863003
+H      0.67813125      1.37276328     -1.39352417
+H      0.95574600      1.71057881      0.40921338
+H      1.20641303     -1.06363206     -1.03498957
+H      2.78940573     -1.03571560      0.91411045
+H      0.47284085      0.27465787      2.46089157
+H      2.21988777      0.51710635      2.79626998
+H      2.39885241     -1.87529119      3.55961716
+H      0.65716688     -1.74292440      3.93483605
+H      1.66951318     -3.18368406      1.53556854
+H      0.08487860     -2.34754804      1.56851014 
+
+17
+-1743.9968348099292 10.794721 12.11603 -9.6369 -7.56 -11.763 0.9211 0.021 2.675 10.84232 -2.35514 9.1290395856 10.9347468924 0.229908893
+C      1.91098508      0.13808931     -0.68961917
+O      1.66477640     -0.08188433      0.71496016
+C      0.53210270      0.05241206     -0.18479585
+C     -0.38024845      1.26592692      0.04354085
+C     -1.81540715      0.72128058     -0.11270620
+C     -1.69316244     -0.76881255      0.25693819
+C     -0.35619505     -1.17522061     -0.38312471
+H      2.33505693      1.11757882     -0.94100412
+H      2.34631104     -0.71370214     -1.22653698
+H     -0.20570571      1.62844629      1.06825327
+H     -0.15737625      2.09553707     -0.64210791
+H     -2.54441975      1.26216440      0.50649511
+H     -2.14384804      0.81341187     -1.16114898
+H     -2.54318884     -1.37105704     -0.09276353
+H     -1.63297254     -0.88099989      1.35198932
+H     -0.49756625     -1.35363716     -1.46281184
+H      0.10465832     -2.07214361      0.05186239 
+
+15
+-1598.8229535094838 10.376518 11.12371 -9.072 -6.9641 -9.129 1.2675 -0.3009 1.243 8.616 -0.61779 6.104946654 6.104946654 0.30142982
+C     -0.98597554     -0.04514630      1.14788962
+C     -0.62745041      0.99770005      0.06768941
+C      0.88167356      1.27571845      0.00469107
+C      1.63083101     -0.03844574     -0.01034823
+C      0.92328601     -1.17804467      0.00053698
+C     -0.58350724     -1.02589460      0.02161897
+O     -0.96453796      0.00663410     -0.96995726
+H     -0.41089532     -0.06731952      2.08320577
+H     -2.06578250     -0.05962766      1.34010124
+H     -1.23816556      1.90832151     -0.01967191
+H      1.11598731      1.86043020     -0.90140433
+H      1.19173160      1.89578650      0.86457326
+H      2.72262391     -0.03018757     -0.04829896
+H      1.38698112     -2.16600681     -0.00931017
+H     -1.14314999     -1.95969792     -0.12203546 
+
+17
+-1708.4383753118589 10.846259 11.88534 -9.5249 -7.3558 -10.03 0.8838 -0.0063 2.299 9.65305 -2.12283 7.1300257062 12.8630019616 0.140060458
+C     -1.48129604      0.78388502     -0.03844089
+C     -1.48436571     -0.78327060      0.06298639
+C     -0.18075224     -1.46995548      0.62544957
+C      0.82371209     -0.70590137     -0.20445289
+O      2.09124966     -0.00845809     -0.01465573
+C      0.83013971      0.69517033      0.19415610
+C     -0.18294396      1.46417526     -0.62053856
+H     -2.35645863      1.09053220     -0.63190225
+H     -1.64026110      1.19775601      0.97152239
+H     -1.66049989     -1.19627314     -0.94448855
+H     -2.35201793     -1.08568870      0.66949740
+H     -0.05956815     -1.29105915      1.70341858
+H     -0.22148241     -2.55657279      0.45060233
+H      0.67199696     -0.88083561     -1.27863947
+H      0.69544369      0.87077978      1.27049984
+H     -0.21568874      2.55097787     -0.44517009
+H     -0.07890729      1.28469846     -1.70020418 
+
+15
+-1567.0726396215327 10.645805 11.35389 -9.6226 -7.4514 -9.571 1.4506 -0.1132 0.88 9.03465 -0.24647 6.203143566 6.203143566 0.328791809
+C     -0.09042245      1.47382696      0.61645439
+C     -1.39714580      0.73758416      0.25199924
+C     -1.48132878     -0.50816567     -0.28110858
+C     -0.29160028     -1.45400561     -0.55021660
+C      0.75186471     -0.76534513      0.29912562
+O      2.07255192     -0.17995068      0.11927578
+C      0.88506248      0.61584363     -0.15603539
+H      0.07769823      1.46482916      1.70532654
+H     -0.13605132      2.52651958      0.29287355
+H     -2.32883916      1.29164629      0.39978326
+H     -2.47833998     -0.90029530     -0.50266168
+H     -0.53616582     -2.48227865     -0.23752444
+H     -0.04256016     -1.48022353     -1.62320351
+H      0.54373669     -0.88454057      1.36979920
+H      0.78108971      0.76124536     -1.23859737 
+
+17
+-1740.774233032524 11.229641 12.05441 -9.3372 -7.1006 -9.148 0.9517 -0.0508 1.268 8.6211 -0.63903 6.2046437966 6.2046437966 0.355667197
+C      0.80806074     -1.17237989      0.55368831
+C     -0.40376383     -1.49684732     -0.32616614
+C     -1.55395308     -0.52871648     -0.18989459
+C     -1.46536707      0.76470785      0.15928975
+C     -0.19084799      1.54313042      0.38062089
+C      1.00901910      1.03833816     -0.42776843
+O      1.66303431     -0.12712706      0.08255534
+H      1.46508831     -2.05203302      0.62416083
+H      0.44955592     -0.94072523      1.57574383
+H     -0.75886947     -2.49926506     -0.03325492
+H     -0.08622282     -1.59924154     -1.38001878
+H     -2.55153222     -0.94313230     -0.36612495
+H     -2.39653151      1.32979331      0.26647355
+H      0.07191856      1.58995725      1.45332613
+H     -0.36771888      2.58976058      0.08110367
+H      1.79606595      1.80687330     -0.44875647
+H      0.68261399      0.86571704     -1.47196802 
+
+15
+-1610.0587209339078 11.532659 11.59413 -7.97 -5.9759 -8.145 0.7555 -0.7444 0.289 7.75104 0.28079 4.5508813328 6.8811238112 0.321835172
+C     -1.41421508      0.64472620      0.12876550
+C     -1.43808880     -0.84697080     -0.23645080
+C     -0.29829481     -1.63320981      0.33836423
+C      0.96369162     -1.16431358      0.46643391
+C      1.48231369      0.12488727      0.04218306
+C      0.84320856      1.20791460     -0.46794093
+O     -0.48475410      1.44213374     -0.63150172
+H     -2.38710029      1.10669107     -0.08481212
+H     -1.18685744      0.76754741      1.19956794
+H     -1.47010892     -0.93055253     -1.33680311
+H     -2.39427685     -1.26192686      0.12321564
+H     -0.51754109     -2.63957533      0.70284557
+H      1.70566355     -1.83541124      0.90807517
+H      2.56681874      0.24312638      0.09240610
+H      1.41729123      2.06279349     -0.83208846 
+
+17
+-1744.9700382686651 11.236866 12.02673 -8.4335 -6.3186 -8.927 0.9131 -0.04 1.254 8.47786 -0.68272 5.9325689182 5.9325689182 0.272645009
+C      1.69742213     -0.07648641      0.01009867
+C      0.82422757     -1.22947468      0.53589500
+C     -0.41273139     -1.53018112     -0.32478707
+C     -1.49698538     -0.48317762     -0.19690569
+C     -1.34978414      0.82367800      0.08627539
+O     -0.18869076      1.55041010      0.17582604
+C      0.90497701      1.05664322     -0.63163003
+H      2.39597798     -0.44792453     -0.75996624
+H      2.31727082      0.31915018      0.82992771
+H      1.44388921     -2.13538389      0.62856935
+H      0.47522272     -0.98484923      1.55152440
+H     -0.83960246     -2.49266209     -0.00020751
+H     -0.12006530     -1.68781212     -1.38001719
+H     -2.53147713     -0.82639499     -0.26761437
+H     -2.21562975      1.46099355      0.28341074
+H      1.55058035      1.93074286     -0.80191422
+H      0.48735852      0.74283876     -1.60340498 
+
+19
+-1882.056217692642 11.37524 12.55438 -9.2378 -7.0546 -11.251 0.9126 -0.0052 2.954 10.58339 -2.74123 8.9223673222 10.60762223 0.166128154
+C     -1.55497046      0.76193422      0.12041029
+C     -1.55939267     -0.75602860     -0.08913973
+C     -0.30591390     -1.48634150      0.41216869
+C      0.96279975     -1.17301535     -0.38674254
+O      1.70072737     -0.00117207     -0.02121037
+C      0.97444063      1.17297141      0.36002590
+C     -0.31148098      1.48899026     -0.40972989
+H     -2.45658737      1.18726270     -0.34992935
+H     -1.64151289      0.97918643      1.20042048
+H     -1.67140497     -0.97300704     -1.16685340
+H     -2.45102801     -1.17899326      0.40189780
+H     -0.13141666     -1.29436093      1.48456404
+H     -0.47853491     -2.57166174      0.32213762
+H      1.69109518     -1.98944128     -0.26559119
+H      0.70084882     -1.13044657     -1.46401174
+H      0.73718664      1.13194236      1.44305618
+H      1.70184618      1.98742369      0.22146115
+H     -0.47934545      2.57475802     -0.31616566
+H     -0.16212628      1.29628922     -1.48578828 
+
+15
+-1605.8770741362587 11.199838 11.56568 -8.3536 -6.2879 -8.701 1.0014 -0.2005 1.078 8.35197 -0.73822 5.4105382638 6.664495472 0.44171377
+C      1.14441237      1.18949879     -0.29413469
+C     -0.18605819      1.61347629      0.35533604
+C     -1.36490178      0.76332857     -0.01736508
+C     -1.45111147     -0.56647927     -0.17835144
+O     -0.50728012     -1.55989371     -0.04831406
+C      0.84200805     -1.33773247      0.10834262
+C      1.57251751     -0.21575660      0.01169947
+H      1.93849220      1.87883239      0.03402131
+H      1.05849023      1.32690409     -1.38574738
+H     -0.05486345      1.61403444      1.45093483
+H     -0.40263814      2.65711234      0.07768607
+H     -2.31408168      1.28011965     -0.17884279
+H     -2.40386358     -1.03422868     -0.43040959
+H      1.32118235     -2.29514134      0.31765239
+H      2.64040570     -0.38047449      0.17584230 
+
+15
+-1547.429755755052 10.054946 10.77519 -8.8404 -6.6869 -9.148 0.9224 -0.0623 1.103 8.7028 -0.54531 6.0079152104 6.0079152104 0.290290574
+C      0.81180980     -1.12925530      0.60130779
+C     -0.36973854     -1.46812429     -0.30693465
+C     -1.50650985     -0.47277127     -0.23522710
+C     -1.40617066      0.84038167      0.03177912
+O     -0.25277229      1.57254258      0.18490768
+C      0.89847829      1.01966115     -0.48466232
+O      1.58297124      0.03699917      0.23263356
+H      1.53419761     -1.95908041      0.61201567
+H      0.44046387     -0.98090607      1.62977780
+H     -0.74526734     -2.44705338      0.03385636
+H     -0.02754315     -1.63659991     -1.34360061
+H     -2.52047072     -0.85505316     -0.36645293
+H     -2.28789512      1.47190736      0.15873016
+H      1.60365937      1.85258916     -0.59696797
+H      0.55685748      0.65590271     -1.47091257 
+
+17
+-1721.9683859739082 10.895801 12.2668 -9.2834 -7.1327 -11.255 0.9612 0.075 2.919 10.6813 -2.55817 9.1232494394 11.7391928576 0.168840971
+C      0.62288030      1.04856363     -0.33633663
+C     -0.55274996      0.20892845      0.10192946
+C      0.80845225     -0.42326921     -0.03470917
+C      1.62173794     -0.85152104      1.15479781
+C      1.50554372     -0.12370834      2.51172838
+C      1.29601552     -1.53315320      3.09091011
+O      1.15722978     -2.10879451      1.76171108
+H      0.67982797      1.37302994     -1.37536285
+H      1.02444668      1.76486007      0.38274481
+H     -1.30564339     -0.05632505     -0.63995665
+H     -0.95064767      0.37050357      1.10439171
+H      0.94348122     -1.07338451     -0.90293469
+H      2.67829201     -0.96851010      0.84445682
+H      0.61920252      0.51755482      2.59961359
+H      2.39178528      0.42843017      2.84640264
+H      2.17782599     -1.93967627      3.61737140
+H      0.39664984     -1.69954844      3.70378220 
+
+15
+-1523.390168103124 9.843095 11.23171 -9.6405 -7.4414 -11.537 0.9984 0.1036 2.612 10.9894 -2.28504 9.099022575 11.2699678406 0.229388091
+C      0.95541420      0.60708258     -0.90461547
+O      0.29890102      1.41902362      0.08925021
+C      0.52236368      0.02100515      0.37447713
+C      1.51382398     -0.27243352      1.46627854
+C      0.98505657     -0.45509140      2.90669774
+C      1.66048976     -1.83543093      2.83835209
+O      1.97165291     -1.66139636      1.42133930
+H      0.36925939      0.41172659     -1.80813688
+H      2.01750081      0.82636912     -1.05859046
+H     -0.38600871     -0.59543259      0.38302963
+H      2.36019968      0.43469792      1.38751915
+H     -0.11029681     -0.49108222      2.96977047
+H      1.37125030      0.24819530      3.65348082
+H      2.58082993     -1.93164394      3.43842214
+H      1.02059328     -2.71502931      3.00727559 
+
+15
+-1569.9917308686474 10.716944 11.57399 -8.6635 -6.5712 -9.147 0.9957 0.1344 1.08 8.66791 -0.49997 5.952629853 5.952629853 0.256027245
+C      2.09245477     -0.11238381     -0.01204071
+C      0.74243306     -0.82144934      0.16952512
+C     -0.41347801     -1.49546243     -0.54811504
+C     -1.53645296     -0.49376783     -0.23668618
+C     -1.34219763      0.76748687      0.23035678
+O     -0.12152402      1.43264883      0.37232162
+C      0.79552058      0.58323554     -0.31498233
+H      2.73938876     -0.25679162     -0.88070550
+H      2.62492374      0.03604960      0.92785080
+H      0.53237294     -0.81483378      1.24552884
+H     -0.66622299     -2.49046558     -0.14515502
+H     -0.25155193     -1.61814993     -1.63180223
+H     -2.57520667     -0.82742971     -0.28712663
+H     -2.16827613      1.41357409      0.52962145
+H      0.62814650      0.67820911     -1.39438094 
+
+17
+-1689.2977172571304 10.354407 11.39264 -9.4916 -7.3261 -11.341 0.9891 0.0899 3.057 11.00495 -2.82063 9.1375574238 10.6465166382 0.137647227
+C     -1.49961416      0.76325151      0.08834452
+C     -1.50258092     -0.76333143     -0.05892924
+C     -0.22027296     -1.44689726      0.42138446
+O      0.87833845     -1.11014644     -0.44675282
+C      1.64715917     -0.00290008     -0.01997420
+O      0.88992443      1.10586840      0.42352532
+C     -0.22701384      1.44452943     -0.42020665
+H     -2.36726058      1.18853959     -0.44330975
+H     -1.61354195      1.03861351      1.15011122
+H     -1.64046151     -1.03845719     -1.11789539
+H     -2.35898625     -1.18707741      0.49182299
+H      0.01480526     -1.18035245      1.46720503
+H     -0.32822132     -2.54033385      0.35949727
+H      2.28756602     -0.25632184      0.84525251
+H      2.26902355      0.24937898     -0.89894108
+H     -0.33160127      2.53815634     -0.35600654
+H     -0.01551213      1.17753019     -1.47091764 
+
+17
+-1739.9817455490781 10.953684 12.25589 -8.9334 -6.8611 -10.627 0.9606 0.0646 2.986 10.20508 -2.63157 8.3637607978 10.5920991828 0.297819786
+C      1.93829985      0.09083471     -0.61505360
+C      1.64928882     -0.18467250      0.85800655
+C      0.53151013      0.10049224     -0.12043393
+C     -0.36235357      1.33880987     -0.01076429
+C     -1.79433401      0.74296191      0.01768406
+C     -1.54056832     -0.76756399      0.14578639
+O     -0.28937747     -0.98986092     -0.52317200
+H      2.39253636      1.04420493     -0.88900688
+H      2.23730928     -0.75886028     -1.22961819
+H      1.75950307     -1.21579570      1.19548394
+H      1.91249371      0.58133088      1.58999794
+H     -0.13353147      1.91565593      0.89597632
+H     -0.22727736      2.00304252     -0.87646737
+H     -2.40457441      1.13316215      0.84371247
+H     -2.31917879      0.95852227     -0.92327539
+H     -2.29550938     -1.39468834     -0.34652466
+H     -1.46214646     -1.06664568      1.20952864 
+
+17
+-1737.1250890112362 10.767948 11.94104 -9.2704 -7.129 -10.779 0.9741 0.0674 3.051 10.42823 -2.81048 8.7435795102 11.1097903272 0.138270109
+C     -1.68632860      0.85578007      0.54124362
+C     -1.17412474     -0.29138879     -0.30673323
+C     -0.33931772     -1.40567832      0.30476736
+C      1.07547559     -1.35773206     -0.30181657
+C      1.69039665      0.06062018     -0.16249000
+O      0.77244154      1.02171941      0.40134397
+C     -0.45222857      1.03871895     -0.29398434
+H     -2.59479434      1.36756931      0.22248548
+H     -1.53846769      0.79374355      1.62082348
+H     -1.74436942     -0.54535037     -1.20366573
+H     -0.28186347     -1.28284578      1.39673191
+H     -0.79812293     -2.38747838      0.11851436
+H      1.72769078     -2.09980562      0.18280849
+H      1.01279267     -1.63658555     -1.36546231
+H      2.54206132      0.05981380      0.53222924
+H      2.05299696      0.42850900     -1.14061779
+H     -0.47947803      1.69643059     -1.17217791 
+
+15
+-1533.590445030066 9.615559 10.60637 -8.9686 -6.8113 -10.743 1.0263 0.1184 3.01 10.39378 -2.84228 8.4139503306 10.427532565 0.12918448
+C     -1.41303940      0.78649011      0.61725683
+C     -1.18786514     -0.29714192     -0.42551525
+O     -0.38588694     -1.39738854     -0.04130352
+C      0.96694327     -1.24748207     -0.49924589
+C      1.56320758      0.04445877      0.02439431
+O      0.87739303      1.19193183     -0.50208570
+C     -0.52449812      1.04823987     -0.57923624
+H     -2.37621367      1.29597939      0.66346654
+H     -0.93832420      0.59806459      1.58056161
+H     -2.00246367     -0.57836816     -1.10094533
+H      1.51749007     -2.11386448     -0.10682118
+H      1.00724201     -1.26547967     -1.60471526
+H      1.52994018      0.04711097      1.13035813
+H      2.61001844      0.15326358     -0.29436097
+H     -0.91036346      1.71686574     -1.35063808 
+
+15
+-1540.2594279505604 9.882585 11.15009 -8.7882 -6.6743 -10.477 0.9925 0.1259 3.182 10.16186 -3.36429 8.0442984702 10.7251113636 0.424940104
+C      1.77756785      0.13399410     -0.70081574
+C      1.77179009     -0.12802612      0.81974535
+C      0.49727420     -0.00536635      0.05250456
+O     -0.33219885      1.11744101      0.30507103
+C     -1.65935174      0.72579908     -0.08046387
+C     -1.64404442     -0.77187296      0.19421479
+O     -0.31472960     -1.13787113     -0.20875008
+H      2.05365063      1.13339041     -1.03674381
+H      2.07093566     -0.68827205     -1.35407204
+H      2.05812213     -1.12363533      1.15835920
+H      2.04780682      0.69823885      1.47551610
+H     -2.37183586      1.28970465      0.53555990
+H     -1.83708635      0.93666630     -1.15056241
+H     -2.35312917     -1.34914615     -0.41309764
+H     -1.80417138     -0.98609431      1.26645466 
+
+17
+-1740.765035948624 11.320422 12.10416 -9.1829 -6.9647 -9.08 1.0086 -0.0427 1.352 8.56221 -0.72675 6.2241467944 6.2241467944 0.353243461
+C      0.80435082     -1.25000272      0.52627571
+C      1.67938219     -0.09279772      0.02998498
+O      0.95699370      1.00036646     -0.53872553
+C     -0.08469850      1.51776490      0.28966957
+C     -1.39008066      0.76797922      0.17365898
+C     -1.53510934     -0.52451685     -0.15522129
+C     -0.41918542     -1.52078936     -0.36368392
+H      1.44080746     -2.14834670      0.58691789
+H      0.45122090     -1.05040348      1.55107238
+H      2.33431168     -0.43427304     -0.78643461
+H      2.32755180      0.26614182      0.85558693
+H      0.25105309      1.58097669      1.34645493
+H     -0.24160492      2.55504819     -0.04823959
+H     -2.28859182      1.37212679      0.33594201
+H     -2.55309951     -0.91167343     -0.26302229
+H     -0.80973828     -2.52686162     -0.14328655
+H     -0.11925317     -1.54116913     -1.42739959 
+
+15
+-1541.1328170167776 10.186151 10.81291 -8.6687 -6.5237 -9.088 0.9809 -0.0459 1.146 8.65213 -0.59589 5.9734966968 5.9734966968 0.267584749
+C      1.63716357     -0.11639487     -0.06582946
+C      0.71897756     -1.16842577      0.53871688
+O     -0.43249121     -1.48103508     -0.26910479
+C     -1.44587429     -0.56259789     -0.17362745
+C     -1.34864801      0.73035221      0.17998403
+C     -0.07220468      1.51636720      0.38505285
+O      0.99417877      1.09123664     -0.46869241
+H      2.11636956     -0.50532953     -0.97667102
+H      2.43409247      0.08880817      0.68044740
+H      1.27999967     -2.10928161      0.64341629
+H      0.36359940     -0.86714140      1.53864616
+H     -2.40239857     -1.01703115     -0.44008698
+H     -2.28548246      1.28845119      0.22771990
+H      0.25307578      1.52807495      1.44527378
+H     -0.25674755      2.56441695      0.10559482 
+
+17
+-1680.914569694289 10.400493 11.36998 -9.4219 -7.264 -11.207 0.9522 0.0292 2.982 10.67243 -2.73174 8.9280210838 12.5856700768 0.087693975
+C     -1.43489464      0.71674803      0.15282137
+C     -1.46175981     -0.78739965     -0.10921949
+O     -0.28611447     -1.48447226      0.31554772
+C      0.84713541     -1.17147497     -0.48924108
+C      1.66904814      0.02118705     -0.00214167
+O      0.96750902      1.24165760      0.25454913
+C     -0.24627055      1.46290183     -0.46341097
+H     -2.37007899      1.14553789     -0.24874089
+H     -1.42590494      0.90758046      1.23742682
+H     -1.62355054     -0.97613897     -1.19075564
+H     -2.29285297     -1.25446544      0.43946694
+H      1.51247837     -2.05107036     -0.46817792
+H      0.53047351     -1.03070617     -1.54044235
+H      2.15712322     -0.23394083      0.95116038
+H      2.46526919      0.19301968     -0.75557133
+H     -0.41918449      2.54703102     -0.38891327
+H     -0.13637546      1.22638509     -1.53998775 
+
+15
+-1543.37308676742 10.106139 10.75082 -8.0987 -6.0899 -8.957 0.98 0.0104 1.066 8.59174 -0.56938 5.7933574374 5.7933574374 0.248086054
+C      1.67080024     -0.12460291     -0.04737593
+C      0.73660124     -1.17122386      0.55945535
+O     -0.41146657     -1.45721575     -0.26814701
+C     -1.42793213     -0.53287355     -0.14555551
+C     -1.31714333      0.78463777      0.11427569
+O     -0.16100664      1.53004371      0.21801776
+C      0.90854090      1.06452254     -0.63260600
+H      2.27836999     -0.56946785     -0.85183024
+H      2.36476919      0.21052605      0.74018984
+H      1.25527958     -2.13237578      0.68480342
+H      0.37418125     -0.83732806      1.54576046
+H     -2.41573706     -0.97380759     -0.28566099
+H     -2.21689398      1.38105027      0.27086595
+H      1.57508065      1.92854190     -0.76587842
+H      0.47751667      0.80021311     -1.61246436 
+
+15
+-1602.343855595493 10.633731 11.55185 -9.3752 -7.1117 -9.194 0.9339 0.075 1.252 8.67818 -0.6127 6.1763253942 6.1763253942 0.314738955
+C      0.66082893     -0.01799980      0.16266845
+O      1.90764833      0.64058061     -0.14382196
+C      0.67751478      1.40406978     -0.20685902
+C      0.52815623      2.54981089      0.80260469
+C      0.31958417      3.75419894     -0.07907980
+C      0.17827928      3.41987076     -1.37083486
+C      0.26682981      1.93110003     -1.58796829
+H      0.52873137     -0.30269389      1.21329915
+H      0.33375945     -0.76401187     -0.57138776
+H      1.42821522      2.61985071      1.43425394
+H     -0.32903522      2.38815915      1.47994958
+H      0.28098920      4.77201999      0.31111607
+H      0.00807408      4.12616627     -2.18439203
+H     -0.70002660      1.50940567     -1.91515082
+H      1.01545099      1.64240275     -2.34310735 
+
+15
+-1522.0875141586985 9.801681 11.29206 -10.0567 -7.8761 -11.922 0.9784 0.0985 2.505 11.07894 -2.21451 9.2336837696 11.2238450486 0.292938766
+C      1.03760688      0.04410150      0.00098558
+C      0.76326356      0.67320889      1.34676836
+C     -0.38471298      0.27273209      2.17582218
+O      0.94733625     -0.16622810      2.50909625
+C      2.51615708     -0.01923068     -0.31413643
+C      3.32349540     -1.21304722     -0.01966054
+O      2.91114364     -0.91526817     -1.37185697
+H      0.61550691     -0.97170968     -0.02869267
+H      0.52970721      0.63752078     -0.77911321
+H      1.14707314      1.69366492      1.48275596
+H     -1.05644619     -0.51258176      1.81144150
+H     -0.82787467      0.99108914      2.87361157
+H      3.03554660      0.94884556     -0.33920548
+H      2.83732170     -2.08101362      0.43764704
+H      4.39632547     -1.10921367      0.17209686 
+
+15
+-1607.2839631077516 10.329866 11.01124 -9.1077 -7.0512 -8.872 1.3339 -0.1999 1.163 8.3505 -0.5534 5.7154942294 5.7154942294 0.222536194
+C      0.25070818      1.37073555      0.77117542
+O      1.19115530      0.47615231      0.13733312
+C      0.37971705     -0.33227221     -0.79890240
+C     -0.62639003      0.70416649     -1.31066760
+C     -1.12278213      1.00132857      0.12992976
+C     -1.41601296     -0.40414199      0.62141859
+C     -0.50353992     -1.22117220      0.05834491
+H      0.53330984      2.41231631      0.54355083
+H      0.26337794      1.21684150      1.86201795
+H      1.06991596     -0.80512176     -1.50500298
+H     -0.14199730      1.55804071     -1.80525867
+H     -1.41339876      0.27712293     -1.94417361
+H     -1.90582633      1.75730304      0.25970550
+H     -2.13710697     -0.65220093      1.40023481
+H     -0.31848986     -2.27083832      0.28269436 
+
+15
+-1561.464016404721 9.384524 10.35569 -9.52 -7.3638 -11.621 0.8763 -0.0398 2.782 11.26748 -2.50373 9.3605214476 11.3638376412 0.117078897
+C     -1.23000247     -0.74513200     -0.49680609
+O     -1.17016517      0.71361462     -0.48543578
+C     -0.00416837      1.01700366      0.28903467
+C     -0.01543651     -0.04016940      1.39316394
+C     -0.00238201     -1.15903438      0.33119224
+C      1.24258302     -0.74258329     -0.46914056
+O      1.17946730      0.71603401     -0.45914990
+H     -1.18451833     -1.09974436     -1.53888072
+H     -2.18009654     -1.07274339     -0.04212066
+H     -0.00799224      2.08419433      0.53240709
+H     -0.92670829     -0.01691815      2.00430108
+H      0.88190075     -0.01502970      2.02451452
+H     -0.00525137     -2.19765583      0.68296608
+H      2.18295869     -1.06822287      0.00667173
+H      1.22115155     -1.09725323     -1.51196763 
+
+15
+-1596.9423411810476 10.594887 11.2754 -8.6515 -6.5073 -8.854 1.256 -0.0793 1.234 8.40083 -0.62425 5.8723365194 5.8723365194 0.274430634
+C      0.82240464     -1.24278901      0.92147262
+C      1.15589551     -0.35749165     -0.24256008
+O      1.02904149      1.04306952     -0.23403712
+C     -0.12575067      1.55677079      0.45549264
+C     -1.38859625      0.81205460      0.12980299
+C     -1.36039211     -0.47873199     -0.24244172
+C     -0.08571434     -1.22508672     -0.32214429
+H      1.44718613     -2.12123331      1.08754735
+H      0.40201928     -0.80194811      1.82570933
+H      2.00952173     -0.62732033     -0.86536365
+H      0.06563877      1.56742092      1.54844167
+H     -0.19890057      2.60712581      0.13622485
+H     -2.33023289      1.36144248      0.18833299
+H     -2.28282321     -0.99836062     -0.51201939
+H     -0.06376752     -2.10395237     -0.96850819 
+
+15
+-1513.4449801950723 9.778528 10.97658 -9.5357 -7.3199 -10.589 0.9993 0.1558 2.621 10.28381 -2.40469 8.1233643424 11.9081609784 0.181090781
+C     -1.68243152      0.71103829      0.28812823
+C     -1.57057432     -0.71887680     -0.39959599
+C     -0.07996808     -0.62752996      0.05169104
+O      1.21758582     -0.92365166     -0.47447641
+C      1.96091191      0.25277163     -0.00569979
+O      1.04506535      1.31009336      0.44043672
+C     -0.18203249      0.83351707     -0.12120837
+H     -2.38133396      1.43387357     -0.14698493
+H     -1.84458531      0.62136607      1.36973926
+H     -1.71374587     -0.65110877     -1.48545716
+H     -2.17131745     -1.53464112      0.01744921
+H     -0.08626020     -0.86414118      1.13385306
+H      2.58878982     -0.00802031      0.86139416
+H      2.56835077      0.60198229     -0.85611103
+H     -0.19166448      1.06897752     -1.20359801 
+
+15
+-1538.5033338792798 9.484837 10.44013 -9.453 -7.232 -10.976 0.9211 0.0154 2.8 10.71784 -2.59258 8.7938434346 11.7605556454 0.20662946
+C     -0.84837606      0.00002235     -1.18337491
+C     -0.58286760      1.04495004     -0.06188427
+C     -1.14701634     -0.00022829      0.93989280
+C     -0.58288068     -1.04517344     -0.06213233
+O      0.83237449     -1.19076383      0.19014092
+C      1.52970444     -0.00010970     -0.16373341
+O      0.83238879      1.19047356      0.19041488
+H     -1.91057599      0.00006132     -1.45928380
+H     -0.23647952      0.00012656     -2.09453887
+H     -1.00078395      2.05805257     -0.12194718
+H     -0.71865513     -0.00035346      1.94997604
+H     -2.24575615     -0.00022244      0.97151046
+H     -1.00080064     -2.05825866     -0.12243988
+H      1.72808857      0.00001468     -1.25272149
+H      2.47900578     -0.00018125      0.38793104 
+
+15
+-1602.5220565629893 10.485624 11.1399 -9.2373 -7.1339 -9.338 1.4046 -0.1092 1.225 8.81544 -0.59823 6.2622104964 6.2622104964 0.30797261
+C      1.62169436     -0.54054776      0.32244580
+O      0.84043042     -1.69790439     -0.10372568
+C     -0.11746879     -0.81319685     -0.78453360
+C     -1.38055916     -0.57232110     -0.00694654
+C     -1.37512021      0.63337095      0.58332156
+C     -0.12582450      1.43232893      0.28897089
+C      0.75252524      0.43954659     -0.49419076
+H      2.67383224     -0.63705809      0.01016803
+H      1.57388372     -0.39301376      1.41598228
+H     -0.27417158     -1.14784647     -1.82327070
+H     -2.18055476     -1.30994575      0.06699141
+H     -2.17965721      1.02064041      1.21203967
+H      0.36368433      1.78922654      1.21160601
+H     -0.35987885      2.33471081     -0.30135645
+H      1.26592476      0.88367995     -1.35516194 
+
+15
+-1603.5758669211464 10.561206 11.19436 -9.3264 -7.1085 -9.079 1.1938 0.0215 1.287 8.57901 -0.66355 6.106186514 6.106186514 0.308349505
+C      0.89161629     -1.39101287      0.67409340
+O      1.41848407     -0.08125998      1.03502302
+C      0.77093753      0.53866615     -0.12090636
+C     -0.25321166      1.61214900      0.27034750
+C     -1.54218653      0.83227480      0.38582299
+C     -1.41200593     -0.44581072     -0.00432567
+C     -0.00595790     -0.77308512     -0.42386466
+H      1.68780619     -2.05274102      0.29000058
+H      0.37810020     -1.87447320      1.52065089
+H      1.51939825      0.87521490     -0.85646295
+H      0.04724641      2.08691228      1.21892660
+H     -0.32502181      2.41596065     -0.48316676
+H     -2.47102000      1.27837137      0.74590837
+H     -2.21622684     -1.18377591     -0.00544511
+H      0.07692172     -1.22457034     -1.42308183 
+
+13
+-1404.9971658004624 9.299395 9.91618 -8.8291 -6.7031 -9.32 1.5535 -0.0724 1.013 8.89052 -0.46864 5.9818409546 5.9818409546 0.236896666
+C      1.65310205     -0.32240433      0.06097064
+O      0.92173521     -1.58436657      0.16033403
+C     -0.18590063     -1.03212479     -0.63974073
+C     -1.36960941     -0.54069732      0.13847579
+C     -1.26364517      0.79250269      0.26985987
+O     -0.17138918      1.37555998     -0.32861641
+C      0.60279266      0.27767469     -0.88150025
+H      2.65891525     -0.47129517     -0.36307526
+H      1.72506423      0.20238059      1.02755941
+H     -0.42088200     -1.70836021     -1.47610624
+H     -2.18000456     -1.15441566      0.51972082
+H     -1.92354885      1.50009919      0.76967624
+H      0.92077042      0.56030690     -1.89131791 
+
+15
+-1555.4854844177223 9.418082 10.36864 -9.3647 -7.1875 -11.232 0.9464 0.0345 2.892 10.91161 -2.6924 8.9607905836 11.0496819144 0.17271947
+C     -1.19606577     -0.71644949     -0.51444898
+O     -1.20201335      0.74259049     -0.46137868
+C     -0.03660069      1.08800518      0.32746088
+C      1.20811289      0.71856660     -0.48568771
+O      1.21288996     -0.74058322     -0.43570604
+C      0.02994653     -1.08768388      0.32588089
+C     -0.01555103     -0.00102241      1.40862993
+H     -1.08438989     -1.05176947     -1.55683926
+H     -2.14248674     -1.10245531     -0.09829849
+H     -0.11904419      2.13702943      0.63421614
+H      2.14484499      1.10364334     -0.04733952
+H      1.12012783      1.05614998     -1.52961945
+H      0.10549067     -2.13738251      0.63209720
+H     -0.92781057     -0.00311974      2.01813679
+H      0.88272936     -0.00022900      2.03856629 
+
+11
+-1249.9998508112894 9.246045 9.7231 -8.5067 -6.4745 -8.514 1.4152 -0.1501 0.325 7.98003 0.12439 4.6378699104 6.4703581932 0.408487268
+C      2.27770966     -0.00414415      0.49276268
+O      1.18110829      0.65989389     -0.30099897
+C      1.96142772      1.82155184     -0.26050054
+C      2.17961088      3.12959935     -0.56465350
+O      3.42364628      3.44175478     -0.00623379
+C      3.93597519      2.32132536      0.62441721
+C      3.04378029      1.30624919      0.47805166
+H      2.70417289     -0.83506151     -0.08383901
+H      1.88601746     -0.33853628      1.46207291
+H      1.67786615      3.93390296     -1.08567668
+H      4.90403520      2.46189456      1.09119804 
+
+13
+-1409.7780810320453 9.115181 9.79322 -9.4531 -7.3426 -9.263 1.1526 -0.4916 0.947 8.74442 -0.36071 5.8428278514 12.4172846902 0.277832412
+C      0.37790991      1.39921401      0.53166570
+O      1.32709409      0.34251123      0.28075163
+C      0.61255247     -0.52336108     -0.66987325
+O     -0.13647679      0.39099449     -1.45258328
+C     -0.85560209      0.94444663     -0.31602122
+C     -1.38408444     -0.29872122      0.37695743
+C     -0.45176176     -1.23911669      0.14965948
+H      0.78435540      2.34793402      0.15102809
+H      0.16097991      1.47503070      1.60752902
+H      1.33969324     -1.08643818     -1.26208695
+H     -1.55345822      1.72705897     -0.62869267
+H     -2.24438167     -0.33359917      1.04201325
+H     -0.36355006     -2.23681370      0.57324276 
+
+15
+-1520.96231962147 9.633917 10.88758 -9.5792 -7.2952 -11.504 0.8809 -0.0322 2.49 11.7597 -2.15383 9.160953582 11.2635825616 0.121906403
+C      0.71755136      0.98933358     -0.40585673
+O     -0.33578039      0.07911560     -0.03135542
+C      1.00829517     -0.43327742     -0.15821822
+C      1.68688539     -0.92239336      1.09280223
+C      1.41247384     -0.21106022      2.43442980
+O      1.06273121     -1.47006565      3.07913567
+C      1.09034347     -2.16363469      1.79972372
+H      0.66981485      1.36408194     -1.43348961
+H      0.98222172      1.73073763      0.35660158
+H      1.14699404     -1.07505384     -1.03888743
+H      2.76227697     -1.04007158      0.89015920
+H      0.55004299      0.47624667      2.40773690
+H      2.27090247      0.27367479      2.92428893
+H      1.71764575     -3.06770415      1.83734855
+H      0.07341115     -2.42489929      1.45975083 
+
+17
+-1738.4697686960756 10.710181 11.68167 -9.4105 -7.2314 -11.246 0.9232 0.0143 2.887 10.66346 -2.70573 9.0581443908 10.1335369618 0.108190138
+C     -0.82458982      0.00087238     -1.14948771
+C     -0.63504069      1.05257670     -0.01685672
+C     -1.22087514     -0.00178008      0.95971031
+C     -0.63565496     -1.05390638     -0.01962565
+C      0.86368651     -1.20796864      0.25771262
+O      1.58956068     -0.00129888     -0.02074474
+C      0.86437935      1.20506443      0.26085985
+H     -1.85336479      0.00168447     -1.53375384
+H     -0.10551148      0.00175435     -1.98082224
+H     -1.12308769      2.03483942     -0.09768900
+H     -0.84972503     -0.00325837      1.99748024
+H     -2.32015368     -0.00145060      0.95966402
+H     -1.12424110     -2.03568445     -0.10303467
+H      1.02017595     -1.52270265      1.30965385
+H      1.31189864     -1.97079148     -0.39839468
+H      1.31302381      1.96933062     -0.39327309
+H      1.02107944      1.51697918      1.31361145 
+
+15
+-1541.117800657791 9.511363 10.47082 -9.1368 -7.0263 -11.122 0.953 0.053 2.782 10.59867 -2.6283 8.8644658602 13.316034407 0.129656922
+C     -1.21406633     -0.00157167      1.04631456
+C     -0.62444001     -1.00739669      0.03826563
+C      0.86376794     -1.20268909      0.29162531
+O      1.45039233     -0.00180098      0.82253510
+C      0.86428706      1.20094082      0.29530926
+C     -0.62401550      1.00706056      0.04135186
+O     -0.75218798      0.00152080     -1.03120559
+H     -0.82200546     -0.00322509      2.07148256
+H     -2.30944473     -0.00133161      1.03040177
+H     -1.15375673     -1.94256790     -0.19721906
+H      1.04758275     -1.98524537      1.04472110
+H      1.35109190     -1.49359202     -0.65813671
+H      1.35173324      1.49452856     -0.65355936
+H      1.04841334      1.98112783      1.05078187
+H     -1.15290182      1.94320185     -0.19123830 
+
+15
+-1538.3039972013835 9.61243 10.70215 -9.549 -7.2826 -11.161 1.0054 0.1083 3.017 10.80414 -2.69241 8.91645319 11.677435431 0.10254025
+C     -1.67107894      0.83940753      0.44700114
+C     -1.10425676     -0.36275940     -0.28418262
+C     -0.24382495     -1.36566178      0.46134424
+O      1.11031938     -1.32659596     -0.02872989
+C      1.68566840     -0.01456104     -0.00844917
+O      0.78935341      1.00645864      0.41039125
+C     -0.40758353      0.97694513     -0.34471946
+H     -2.57099160      1.30360390      0.04424491
+H     -1.57590124      0.86645676      1.53360353
+H     -1.61831058     -0.71545562     -1.17941725
+H     -0.27048125     -1.17566042      1.54912776
+H     -0.57382688     -2.39737692      0.28522587
+H      2.51520918      0.01511826      0.71743305
+H      2.06078962      0.18647756     -1.03075650
+H     -0.38698426      1.56347335     -1.26976685 
+
+15
+-1541.1014183104187 9.763347 10.97245 -9.5292 -7.3877 -10.922 0.9631 0.0718 2.79 10.55866 -2.4462 8.419145344 10.7105058128 0.152563539
+C      1.91910593      0.11906860     -0.63582724
+C      1.68455422     -0.21433580      0.83482452
+C      0.53325199      0.07970969     -0.09491984
+C     -0.40124310      1.27498675      0.07192514
+O     -1.70934921      0.68054565      0.19720187
+C     -1.50092217     -0.73080458      0.23452617
+O     -0.31453371     -0.98782533     -0.50100448
+H      2.34388480      1.09091825     -0.89057692
+H      2.21063409     -0.69989851     -1.29375657
+H      1.82436305     -1.25324216      1.13437963
+H      1.95100010      0.53275782      1.58452372
+H     -0.15986921      1.87054194      0.96817472
+H     -0.40600904      1.92920263     -0.81508985
+H     -2.34373145     -1.23535470     -0.25667328
+H     -1.38348628     -1.07206024      1.28463241 
+
+15
+-1510.1137485597146 9.773899 10.89345 -9.6941 -7.5186 -10.764 0.925 0.0107 2.387 10.40059 -2.08116 8.1684828478 10.890372303 0.218243178
+C     -1.76263589      0.68845646      0.22914058
+O     -1.67028771     -0.67891518     -0.33182475
+C     -0.26465722     -0.65629473      0.10942768
+C      1.06728939     -1.01742593     -0.51084448
+O      1.90217985      0.02187271      0.11274100
+C      1.08684350      1.15012309      0.63107586
+C     -0.24275874      0.84846474     -0.01699502
+H     -2.45009928      1.31695071     -0.35119978
+H     -2.05632715      0.65127246      1.29270133
+H     -0.24900744     -0.96948898      1.17290942
+H      1.49412484     -1.98410974     -0.21046650
+H      1.07104417     -0.92260123     -1.60996470
+H      1.07004220      1.10703632      1.73243424
+H      1.57851761      2.07574895      0.30182227
+H     -0.15030812      1.07255033     -1.09243715 
+
+15
+-1603.6572649476395 10.647432 11.32032 -8.228 -6.1339 -8.709 0.9505 0.0039 1.248 8.30378 -0.68231 5.7118118452 5.7118118452 0.23073154
+C      0.85232167     -1.11833490      0.91855395
+C      1.12301677     -0.39428467     -0.36934813
+C      0.88807908      1.09276395     -0.52217295
+O     -0.28986081      1.58949085      0.15712859
+C     -1.41454939      0.81003722      0.02393220
+C     -1.39636304     -0.51619661     -0.19408704
+C     -0.11553481     -1.25757388     -0.26113760
+H      1.48380697     -1.97204354      1.16759336
+H      0.49219199     -0.53933958      1.77024589
+H      1.94035680     -0.76771472     -0.99254796
+H      1.71762265      1.68521197     -0.11010783
+H      0.78773024      1.32804798     -1.59781418
+H     -2.32602072      1.39491651      0.15673498
+H     -2.34273112     -1.05154454     -0.26618221
+H     -0.12038629     -2.21637604     -0.78244107 
+
+13
+-1405.8172000120455 9.543737 10.03207 -8.6898 -6.5895 -9.185 1.343 -0.159 0.893 8.77358 -0.35162 5.7807728584 5.7807728584 0.227469042
+C      0.71952490     -1.23979178      0.51714126
+O     -0.61214230     -1.55589935      0.03866108
+C     -1.52352899     -0.55268642     -0.05345775
+C     -1.26132565      0.76755023     -0.00411761
+C      0.12650386      1.22810714      0.15036980
+O      1.08710887      0.81384602     -0.90219229
+C      1.15089857      0.20099236      0.38759294
+H      1.39329274     -1.90673508     -0.04087202
+H      0.76517625     -1.51294119      1.58656052
+H     -2.52366254     -0.95992753     -0.21104559
+H     -2.07523732      1.47855212     -0.13091849
+H      0.30220215      2.24613468      0.50799916
+H      2.04067945      0.44314880      0.98619901 
+
+15
+-1600.6202084207418 11.189506 11.62482 -8.5185 -6.4026 -8.821 1.2706 -0.1989 1.187 8.61861 -0.60889 5.6894323722 6.6520100818 0.221197101
+C      1.06001857      1.10953740     -0.48184459
+O     -0.13751702      1.63511874      0.13164766
+C     -1.28293759      0.90054366     -0.00465860
+C     -1.45849620     -0.42734979     -0.11638456
+C     -0.49495484     -1.57564222     -0.00127356
+C      0.95550930     -1.30578000      0.27697510
+C      1.62380404     -0.15889157      0.09797734
+H      1.78886874      1.92514329     -0.38431598
+H      0.84963949      0.97057604     -1.55885504
+H     -2.15315404      1.56292500     -0.00571671
+H     -2.50281839     -0.72488126     -0.24203906
+H     -0.55858124     -2.21491573     -0.90613962
+H     -0.87292198     -2.23569788      0.80227394
+H      1.51529877     -2.16489541      0.66035068
+H      2.68841237     -0.13549028      0.34673300 
+
+15
+-1601.589608464152 11.60508 11.66961 -8.5226 -6.4448 -8.285 0.3841 -1.1432 0.316 7.85098 0.25201 4.7066573432 7.1943248458 0.422110751
+C     -0.45743178      1.45257294     -0.47916011
+O     -1.32166716      0.58824227      0.23998704
+C     -1.33442086     -0.77235729     -0.21910478
+C     -0.22771868     -1.61923593      0.34211388
+C      1.06117469     -1.23104611      0.43863184
+C      1.63859580      0.02925528     -0.01184602
+C      1.01035589      1.14639975     -0.44047454
+H     -0.61973643      2.44405381     -0.02209828
+H     -0.78236973      1.54804494     -1.53863382
+H     -1.31049543     -0.79662551     -1.32717326
+H     -2.30937721     -1.17471833      0.09380799
+H     -0.50689538     -2.61147855      0.70642829
+H      1.77215870     -1.94289887      0.86709101
+H      2.73216782      0.05342384     -0.02372415
+H      1.63493977      1.97564775     -0.79037508 
+
+13
+-1416.1356317262776 10.260104 10.30009 -8.0512 -6.0501 -8.277 0.8026 -0.7822 0.147 7.93438 0.38724 4.527844734 7.0062876782 0.360063573
+C     -1.32164590      0.64589674      0.19979674
+O     -1.42394357     -0.76142447     -0.00756578
+C     -0.35342424     -1.50887003      0.41555527
+C      0.93355493     -1.10187768      0.48147079
+C      1.50003844      0.16244017      0.04767621
+C      0.86707260      1.21531344     -0.51571313
+O     -0.48378048      1.34159008     -0.72122490
+H     -2.32910270      1.04035467      0.03381769
+H     -0.96180607      0.83231736      1.22299967
+H     -0.66160572     -2.51185362      0.71229894
+H      1.63294645     -1.83976248      0.87750155
+H      2.58080768      0.27319051      0.14895341
+H      1.40572859      2.09636532     -0.86592647 
+
+15
+-1544.6472071184864 10.20822 10.91295 -9.4338 -7.1936 -9.207 1.4191 -0.099 1.283 8.70781 -0.67857 6.2773987814 6.2773987814 0.358733561
+C      1.61330037     -0.16846900     -0.05499830
+O      0.75867170     -1.17338522      0.44945495
+C     -0.35357705     -1.47244669     -0.41077085
+C     -1.51144751     -0.53069456     -0.19753940
+C     -1.38977391      0.74759410      0.18487006
+C     -0.07542022      1.46551516      0.35850009
+O      0.93684401      0.97435371     -0.53619579
+H      2.20035993     -0.52393100     -0.92228638
+H      2.27991093      0.07473200      0.79348943
+H     -0.65847529     -2.49761402     -0.15157484
+H     -0.03404969     -1.47994556     -1.47100275
+H     -2.50969417     -0.95379166     -0.34046227
+H     -2.29095654      1.34260374      0.35822877
+H      0.27446260      1.41191295      1.40794703
+H     -0.19934518      2.52970605      0.10697024 
+
+13
+-1403.114210828249 10.092904 10.2852 -8.2624 -6.2109 -8.83 1.0855 -0.2398 0.906 8.50986 -0.42129 5.3361342652 6.5442662478 0.273434936
+C      1.08470746      1.16622256     -0.37628227
+O     -0.19809437      1.61621626      0.10986685
+C     -1.27785407      0.81067379     -0.09147656
+C     -1.40877914     -0.52863915     -0.13413157
+O     -0.49874834     -1.55254590      0.02673991
+C      0.84378338     -1.33548772      0.15016607
+C      1.54574154     -0.19856459      0.02413702
+H      1.79355386      1.92010953     -0.00736128
+H      1.06066666      1.24700998     -1.47778505
+H     -2.19577316      1.38875562     -0.21558056
+H     -2.40232563     -0.94014355     -0.30101371
+H      1.33638813     -2.27880375      0.38756128
+H      2.62105369     -0.30212307      0.17980987 
+
+17
+-1740.7849341148524 10.911198 12.14193 -8.9404 -6.8298 -10.349 0.9482 0.0554 3.088 10.02135 -2.8036 8.1834727552 10.9747819718 0.160840977
+C      1.43810424     -0.18391631     -0.42185244
+C      2.85773544      0.02057331      0.03204029
+C      3.68644936     -1.06539901      0.67394862
+C      4.09108075     -0.48403562     -0.67542021
+C      5.09749753      0.66655339     -0.66498931
+C      4.22208097      1.86824335     -0.26637366
+O      3.13703243      1.33563682      0.52068523
+H      1.17909802      0.51987813     -1.22658210
+H      0.74000267     -0.02289334      0.41290862
+H      1.29358426     -1.20749121     -0.79432448
+H      3.28512910     -2.08073728      0.68530374
+H      4.28101385     -0.78572601      1.54550061
+H      4.00665256     -1.11485035     -1.56139112
+H      5.90475220      0.49375975      0.06365995
+H      5.55919571      0.81217957     -1.65201288
+H      4.73942735      2.61745369      0.34929950
+H      3.81895357      2.36926110     -1.16783038 
+
+15
+-1604.0867330438653 10.632458 11.57242 -8.2164 -6.1292 -8.716 0.9891 0.0782 1.24 8.3235 -0.68031 5.631134155 10.9664873084 0.224867245
+C      1.37865687      0.13624151      0.51400010
+C      2.72914128     -0.08752447     -0.10030016
+C      3.49081578      0.97194525     -0.84522244
+C      4.08334220      0.37901337      0.43605560
+C      4.95261471     -0.80973199      0.23547086
+C      4.22373794     -1.76926940     -0.36300217
+O      2.90143165     -1.44265805     -0.56809324
+H      1.29980426      1.16461006      0.89028977
+H      1.20910981     -0.55706952      1.35001934
+H      0.58416517     -0.01568550     -0.23151988
+H      3.08100177      1.98074851     -0.78345134
+H      3.97248620      0.71107662     -1.78868543
+H      4.17800811      1.00771432      1.32363200
+H      5.99907433     -0.88937195      0.51615425
+H      4.50380994     -2.76088876     -0.71137727 
+
+15
+-1540.6983745234243 9.7195 10.8798 -9.4156 -7.2147 -10.639 0.9409 0.0479 2.858 10.33174 -2.50494 8.1865724052 12.7840972712 0.127147911
+C      1.37352273     -0.16628212     -0.30203245
+C      2.82959780      0.01414659      0.01803196
+C      3.73151813     -1.08991722      0.53767638
+C      3.99789014     -0.43941676     -0.80751582
+O      4.95420920      0.61508322     -0.80151286
+C      4.18960358      1.76378889     -0.42783290
+O      3.19470565      1.32068675      0.49213566
+H      1.04011218      0.57295351     -1.04458374
+H      0.76367777     -0.04542477      0.60533867
+H      1.18841285     -1.17198100     -0.70327339
+H      3.34316391     -2.11050157      0.53824799
+H      4.41392685     -0.83141216      1.34726249
+H      3.90969369     -0.98806479     -1.74781083
+H      4.84786517      2.48682052      0.07282929
+H      3.71191035      2.20857090     -1.32588046 
+
+17
+-1750.9918542213966 10.775854 12.06056 -9.4757 -7.448 -11.251 0.9082 0.0146 2.751 10.6946 -2.42036 8.7776632616 10.4247676772 0.205051116
+C      1.44826757      0.43964394     -0.07352596
+C      2.80032732     -0.20757691      0.04332308
+C      2.94258638     -1.72380899      0.05548139
+C      4.46321328     -1.97555476     -0.05629840
+C      5.02824088     -0.74960807     -0.81329213
+C      4.06180809      0.36386977     -0.46890092
+O      3.74560108      0.44089085      0.94510470
+H      1.54388708      1.53237407     -0.10972787
+H      0.81894735      0.17898769      0.79083915
+H      0.92985659      0.09873603     -0.98213425
+H      2.40285089     -2.13064711     -0.81675952
+H      2.50220302     -2.17726398      0.95651149
+H      4.90192326     -2.01624591      0.94905919
+H      4.69734422     -2.92344989     -0.55928536
+H      6.06534623     -0.51761982     -0.52863133
+H      5.01174943     -0.90386122     -1.90583126
+H      4.09812734      1.32641431     -0.98976200 
+
+15
+-1604.702845184991 10.582383 11.4959 -9.2902 -7.134 -9.322 1.296 -0.3124 1.078 8.81347 -0.46593 6.0730698534 6.0730698534 0.257049749
+C      1.39319838      0.41573539     -0.21527152
+C      2.69651809     -0.20991842      0.19872393
+C      2.86439223     -1.73335010      0.20603973
+C      4.34869455     -1.93480700      0.00013453
+C      4.99801498     -0.76849872     -0.16286119
+C      4.04327344      0.36885435     -0.03316075
+O      3.40523338      0.43648666      1.28386194
+H      1.47084122      1.51039763     -0.20405938
+H      0.58677505      0.12323659      0.47443133
+H      1.10831055      0.09061150     -1.22673720
+H      2.27262393     -2.20604878     -0.59702090
+H      2.51465791     -2.16526340      1.15815554
+H      4.81811314     -2.91954188      0.02247599
+H      6.06908591     -0.64937949     -0.32450739
+H      4.20911723      1.33819568     -0.51125466 
+
+17
+-1740.8104901952104 10.796626 12.10074 -9.1443 -7.1794 -11.127 0.933 0.0493 2.8 10.31249 -2.47448 8.8064900066 10.7605341638 0.090863285
+C      1.04890336     -0.10659551      0.00115308
+C      2.52906439      0.13048696     -0.08598484
+C      3.45889472     -0.52468956     -1.13905767
+C      4.44694455     -0.30698551      0.02167821
+C      4.59702000      1.22618378      0.09965802
+C      3.08049152      1.57543368      0.01543211
+O      3.33633478     -0.55684795      0.96195279
+H      0.64760344      0.31044504      0.93650715
+H      0.82105056     -1.18051973     -0.02888526
+H      0.53647297      0.38462866     -0.83897185
+H      3.63036497     -0.00932066     -2.09631712
+H      3.22028851     -1.58566450     -1.28138341
+H      5.32483309     -0.94096113      0.19506817
+H      5.05224568      1.53321949      1.05002263
+H      5.19163102      1.63841161     -0.72842823
+H      2.81740745      2.18920148     -0.85831854
+H      2.70659899      2.07080382      0.92166474 
+
+17
+-1737.8507384614409 10.841387 12.15135 -9.0331 -6.9487 -11.051 0.9389 0.0678 2.804 10.45957 -2.54029 8.801022224 12.6711460252 0.180508216
+C      1.05934171     -0.00575284     -0.03111175
+C      2.56105844     -0.00515238     -0.00023378
+C      3.48277686     -0.58899547     -1.10798019
+C      4.55526836     -0.37978329      0.00585151
+C      3.43929535     -0.78611662      1.01784630
+C      4.50605836      1.14326533      0.14602693
+O      3.06414194      1.36200400      0.13666509
+H      0.65700394      0.43556187      0.89189618
+H      0.67726304     -1.03108816     -0.12537374
+H      0.69294971      0.58522036     -0.88267383
+H      3.57360146     -0.01114766     -2.03917274
+H      3.28935859     -1.65000748     -1.31238782
+H      5.54089399     -0.85966064     -0.01851926
+H      3.24164526     -1.86587942      1.01526436
+H      3.49033728     -0.39010327      2.04245497
+H      4.93349136      1.51172737      1.09304746
+H      4.97041435      1.67801829     -0.69876968 
+
+15
+-1581.0881612529715 10.538868 11.61462 -9.007 -6.9234 -8.876 1.2768 -0.3592 1.111 8.38746 -0.46621 5.5732822874 5.5732822874 0.207563912
+C      1.01895249      0.08248727     -0.61251852
+C      2.14695070     -0.06420637      0.36791158
+C      2.46879488     -1.36695705      1.17536984
+C      3.85134315     -0.65893472      1.12887196
+O      3.50749054     -0.20136967     -0.23591613
+C      3.58098037      0.60689227      1.96409603
+C      2.41452958      1.01661419      1.44303217
+H      0.05645348      0.11062746     -0.08168106
+H      1.00514453     -0.75891739     -1.31762013
+H      1.12531257      1.01550317     -1.18388884
+H      2.43120505     -2.26628687      0.54463210
+H      1.98384457     -1.51274719      2.15057592
+H      4.81208385     -1.18021639      1.20401825
+H      4.19870037      1.02533082      2.75471993
+H      1.78753387      1.87400046      1.67732690 
+
+17
+-1738.7340889991608 10.899468 12.04374 -9.012 -6.9009 -10.46 0.932 0.0459 2.844 10.10863 -2.5115 8.2210529118 10.3104153894 0.130726542
+C      1.32592357     -0.26613010     -0.31856241
+C      2.76242019      0.04431896      0.03227225
+C      3.68382092     -1.05660092      0.54026073
+C      3.93302199     -0.41184052     -0.80187738
+O      4.93141045      0.59525765     -0.83158578
+C      4.28277309      1.83768267     -0.48246160
+C      3.13450342      1.46978287      0.47268796
+H      0.93252124      0.44887696     -1.05833873
+H      0.68069451     -0.21912321      0.57299289
+H      1.22917427     -1.27594639     -0.74249980
+H      3.28928046     -2.07521407      0.55107240
+H      4.39182324     -0.81905919      1.33633140
+H      3.82089008     -0.97336990     -1.73356741
+H      5.04494076      2.49499334     -0.04073068
+H      3.88659317      2.31897322     -1.39749835
+H      3.45557395      1.50089971      1.52532297
+H      2.28066469      2.15392891      0.35896155 
+
+17
+-1743.3696509109968 10.884519 12.06611 -9.4839 -7.261 -10.544 0.9052 0.0197 2.877 10.21232 -2.52182 8.3352812136 10.2503317738 0.144250598
+C      1.42737762     -0.17478216     -0.41278975
+C      2.83109884      0.04592433      0.09460580
+C      3.66506784     -1.09204318      0.63983705
+C      4.07724241     -0.40698918     -0.64458869
+C      5.08228470      0.71792581     -0.50103929
+O      4.63233668      1.49748130      0.62311192
+C      3.19890111      1.41573524      0.64929991
+H      1.14965003      0.58451859     -1.16111457
+H      0.69350599     -0.12198555      0.40707897
+H      1.32659402     -1.16383003     -0.88160850
+H      3.24461318     -2.09500217      0.55596556
+H      4.27211683     -0.91196378      1.53025595
+H      4.00432842     -0.93830744     -1.59481132
+H      6.10784687      0.39162527     -0.26921483
+H      5.10348964      1.33018397     -1.42462426
+H      2.88725834      1.58108443      1.69277627
+H      2.74335746      2.20332454      0.01351978 
+
+17
+-1735.6887707141602 10.795137 12.02452 -9.1062 -7.0007 -11.274 0.8908 -0.0055 2.682 11.6344 -2.38092 9.0613184324 10.4558261702 0.109009844
+C      0.98986541     -0.08045027     -0.05407812
+C      2.49613545      0.02627777     -0.01142994
+C      3.44271766     -0.57638491     -1.10774918
+C      4.48929189     -0.34067692      0.00518776
+C      3.39453338     -0.74183234      1.02016881
+O      4.53846514      1.10685668      0.11878987
+C      3.11569483      1.42708732      0.11154512
+H      0.53751949      0.33878634      0.85806044
+H      0.66721112     -1.12803112     -0.13890190
+H      0.57858135      0.46966238     -0.91464719
+H      3.57406212     -0.02271182     -2.04851520
+H      3.23648043     -1.63880192     -1.29367868
+H      5.50908986     -0.73972665     -0.00279709
+H      3.18382667     -1.81949067      1.03000260
+H      3.48154738     -0.34081009      2.04019282
+H      2.88196325      2.08019278     -0.74610699
+H      2.84135457      1.94036344      1.04857685 
+
+15
+-1546.9943644081604 9.688906 10.82902 -9.7073 -7.4842 -11.23 0.8546 -0.0505 2.546 10.84992 -2.22898 8.6649847848 10.358038412 0.199523162
+C      1.45243013      0.23348002     -0.26932601
+C      2.84932479     -0.17930605      0.09797399
+C      3.16265744     -1.60538182      0.51635172
+O      4.59042664     -1.74041842      0.47486997
+C      5.12247398     -0.75868575     -0.42867037
+C      4.09714459      0.34718270     -0.48184821
+O      3.66103132      0.78256744      0.82541459
+H      1.43764396      1.27726241     -0.60671390
+H      0.78208598      0.14587402      0.59853581
+H      1.05364323     -0.40413960     -1.07158423
+H      2.67050801     -2.30784883     -0.18625659
+H      2.83785226     -1.83989024      1.54175625
+H      6.09849246     -0.44122411     -0.03246774
+H      5.26551450     -1.17492088     -1.44655324
+H      4.12229070      1.10686910     -1.26916202 
+
+17
+-1736.057336108517 10.745876 12.02385 -9.2348 -7.2531 -11.235 0.9416 0.0701 2.864 10.40534 -2.59991 8.9357578102 11.3498520204 0.148596003
+C      1.04895153      0.00217870      0.04506316
+C      2.56766610     -0.00321181     -0.00429356
+C      3.20909299     -0.94909885     -1.05427858
+C      4.72456097     -0.76810655     -0.83774228
+C      4.73240109      0.79429156     -0.78555049
+C      3.21882213      1.00458987     -0.98877098
+O      2.92310862      0.06509397     -2.09190402
+H      0.67738994      0.87109024      0.60883152
+H      0.66914512     -0.90221041      0.54381706
+H      0.62643264      0.04119228     -0.96824056
+H      3.00779332     -0.03938375      1.00695853
+H      2.81203265     -1.94592583     -1.28720610
+H      5.08030188     -1.24063196      0.08924557
+H      5.29982582     -1.16744651     -1.68271941
+H      5.31154406      1.24323871     -1.60252844
+H      5.09297458      1.20045387      0.17055570
+H      2.83189656      2.01870645     -1.15432711 
+
+17
+-1737.3894121813587 10.772485 11.9255 -8.996 -6.8721 -10.591 0.9236 0.0226 3.038 10.23394 -2.76569 8.5096799212 11.4598276024 0.175209714
+C      0.79021776      0.09075767     -0.10502668
+C      2.27170589      0.00748238      0.17644820
+C      3.21857980     -0.92747436     -0.57502480
+C      2.76455287     -1.50860459     -1.91421117
+C      2.94695650     -0.32592298     -2.88483353
+O      2.84960559      0.87693631     -2.08905720
+C      3.30314765      0.56454394     -0.78236401
+H      0.36160951      0.98301172      0.37500201
+H      0.25580655     -0.78974016      0.28283636
+H      0.58758643      0.17515674     -1.18087879
+H      2.53970456      0.13009316      1.23070719
+H      3.98130080     -1.45843247     -0.00442705
+H      3.38750986     -2.36675398     -2.20307839
+H      1.71870505     -1.85094638     -1.88522662
+H      3.94007031     -0.36735898     -3.37163902
+H      2.17456207     -0.26497428     -3.66548510
+H      4.13762880      1.17897626     -0.43458139 
+
+17
+-1731.719784220145 10.755489 11.96246 -9.0364 -6.9267 -11.126 0.914 0.0486 2.806 10.5227 -2.57743 8.943544131 12.5114768544 0.131655729
+C      1.00709828      0.01205346      0.06898618
+C      2.52362141      0.01599648     -0.05567519
+C      3.17698691      1.06783149     -1.02666432
+C      2.86446443      0.06892962     -2.18813589
+C      3.20364268     -0.94653921     -1.07296863
+O      4.61838615     -0.71405849     -0.83704876
+C      4.65528403      0.75042037     -0.79626922
+H      0.67116596      0.86287093      0.68098877
+H      0.66200900     -0.90642924      0.56762009
+H      0.49051960      0.07827336     -0.89829021
+H      2.98464805     -0.02954141      0.94510628
+H      2.87608032      2.12322165     -1.04833158
+H      3.52201783      0.07503123     -3.06857017
+H      1.81156025      0.07075505     -2.48955550
+H      3.01756181     -2.02583609     -1.12940569
+H      5.32039621      1.12639118     -1.59069283
+H      5.02936709      1.08412965      0.18534667 
+
+17
+-1740.620040954026 10.783488 11.91471 -9.3493 -7.1306 -10.66 0.8817 -0.0268 3.02 10.40736 -2.81685 8.6190851676 10.7466229346 0.178658514
+C      0.73971370      0.01372117      0.04643870
+C      2.25185107      0.01578252      0.13504414
+C      3.15746070     -0.85542838     -0.71371269
+C      2.60992201     -1.41964369     -2.00937565
+O      2.00024406     -0.32384903     -2.71656622
+C      2.62245596      0.90125433     -2.28679112
+C      3.16557369      0.65253612     -0.89394839
+H      0.32899115      0.95832996      0.43439136
+H      0.31869697     -0.80209591      0.65359997
+H      0.38634380     -0.11247282     -0.98495776
+H      2.62588527      0.13601460      1.15660712
+H      3.99755998     -1.37199314     -0.24659190
+H      3.43514961     -1.86300129     -2.60106951
+H      1.82703516     -2.18473990     -1.87984972
+H      3.45155987      1.18384181     -2.96532162
+H      1.84784381      1.68351757     -2.34227198
+H      4.01173318      1.25568607     -0.56071474 
+
+15
+-1577.1218301294423 10.422027 11.34367 -9.0586 -6.9795 -8.846 1.142 -0.4829 1.09 8.3571 -0.45783 5.5326024808 11.28644558 0.214117521
+C      0.89900357     -0.18469998     -0.05099927
+C      2.36525088      0.14999263      0.14158577
+C      3.53252371     -0.68158739     -0.49890682
+O      4.38123610      0.52170267     -0.33455222
+C      3.12971584      1.21129586     -0.72633644
+C      2.92588289      0.68455413     -2.15724204
+C      3.20362578     -0.62037218     -2.00051214
+H      0.26549759      0.63936293      0.30986356
+H      0.62916346     -1.08051635      0.52802424
+H      0.65574332     -0.36975803     -1.10615669
+H      2.60066039      0.32771737      1.20232893
+H      3.94712332     -1.59600417     -0.05829491
+H      3.12038554      2.28903781     -0.52487019
+H      2.63853172      1.25214285     -3.03857625
+H      3.21126590     -1.43910815     -2.71541554 
+
+15
+-1601.280515086841 10.659081 11.60407 -8.1836 -6.0924 -8.729 0.9967 0.1305 1.221 8.34949 -0.66275 5.6368871054 11.5340084262 0.332574729
+C      1.05164054      0.03910789      0.64349728
+C      2.42768827     -0.03737147      0.02455989
+C      2.65827216      0.68714252     -1.27001963
+O      3.98553763      1.11105042     -1.59938724
+C      4.73680688     -0.03965741     -1.72483677
+C      4.04037781     -1.18271012     -1.59004565
+C      2.62965075     -0.84267806     -1.26113512
+H      0.94708026      0.93786474      1.27026432
+H      0.84900478     -0.84015017      1.27352421
+H      0.26773107      0.07937205     -0.12756140
+H      3.27156127     -0.05964081      0.71968650
+H      1.89482036      1.33464103     -1.70336249
+H      5.79275425      0.13111832     -1.92087658
+H      4.44322960     -2.18549928     -1.70021346
+H      1.79763438     -1.42492963     -1.66394386 
+
+15
+-1537.3826589808998 9.630519 10.74808 -9.4971 -7.3188 -10.902 0.9535 0.0508 3.008 10.65781 -2.74924 8.490437294 10.4858307822 0.188924838
+C      0.80124454     -0.02016197     -0.10635278
+C      2.28449232      0.00905992      0.16723604
+C      3.27714006     -0.84954638     -0.60284781
+O      2.81463622     -1.40253797     -1.83131366
+C      3.03765670     -0.36781940     -2.79031345
+O      2.82270046      0.87466367     -2.11942054
+C      3.28251701      0.64187463     -0.79154385
+H      0.32936840      0.91862099      0.21728734
+H      0.32380715     -0.84959084      0.43475916
+H      0.59828979     -0.15096169     -1.17580656
+H      2.56309156      0.14100959      1.21813747
+H      4.06910511     -1.41613318     -0.10927513
+H      4.07771775     -0.41995429     -3.17332517
+H      2.30544608     -0.46818457     -3.60383701
+H      4.07885684      1.30805149     -0.45408404 
+
+17
+-1721.6185393545186 11.0384 12.66507 -9.7489 -7.6097 -11.259 0.9386 0.0676 2.782 10.94842 -2.41043 9.030458317 11.0325346506 0.36867556
+C      1.13508421     -0.05604172      0.10873905
+C      2.62201642     -0.10022811     -0.15862295
+C      3.16216628     -0.64057640     -1.46078122
+C      3.25769287      0.83884277     -1.16825242
+C      4.54661120      1.52294517     -0.85333183
+C      5.83924643      0.83340314     -0.69570378
+O      5.56525486      1.59297270     -1.88619001
+H      0.88252359      0.71371783      0.85347499
+H      0.77061962     -1.02293758      0.48757891
+H      0.57644995      0.17215009     -0.81125141
+H      3.24222563     -0.31063198      0.71797344
+H      2.44199308     -0.94602447     -2.22151734
+H      4.07249724     -1.23991368     -1.44085539
+H      2.55407958      1.47157518     -1.71805727
+H      4.43256718      2.47205749     -0.31178242
+H      5.90402846     -0.25003002     -0.84111713
+H      6.59469341      1.26193959     -0.02710322 
+
+17
+-1722.2910686285106 11.010092 12.42484 -9.7652 -7.6101 -10.936 0.9367 0.0686 2.628 10.62071 -2.24894 8.4820434418 10.5617598086 0.404492396
+C      0.80996788      0.04914965     -0.47494185
+C      2.26336057      0.07424509     -0.04624197
+C      3.25707183     -0.76887072     -0.82493505
+C      3.27947655      0.73430748     -0.95962805
+C      2.54128725      0.20184920      1.42302474
+C      1.59543882      0.76743190      2.40195679
+O      1.81140393     -0.65758356      2.33061569
+H      0.72957890     -0.16610610     -1.54932053
+H      0.31667639      1.01639033     -0.29289851
+H      0.25820558     -0.73092016      0.07003422
+H      2.86944015     -1.35517459     -1.65887530
+H      4.06705333     -1.24768470     -0.27262904
+H      4.10835505      1.27755180     -0.50219035
+H      2.90518052      1.17710661     -1.88349512
+H      3.61005249      0.27865432      1.66949184
+H      0.60694930      1.10289226      2.07264227
+H      1.98160147      1.25407117      3.30453022 
+
+19
+-1872.8737802104538 11.684559 13.20193 -9.8776 -7.6018 -11.123 0.9543 0.0433 2.956 10.74467 -2.6469 9.0152576334 10.7007853104 0.15580241
+C      0.81789912     -0.64448472     -0.18122324
+C      2.31561477     -0.66726959     -0.38914552
+C      2.90300551     -0.32953651     -1.73936751
+C      3.10175755      0.62033707     -0.57878989
+C      4.47328733      0.80907816      0.03833682
+C      4.42108109      1.36520569      1.46199646
+O      3.77875405      0.48557617      2.39219270
+H      0.55151071     -0.50795297      0.87918857
+H      0.35429401     -1.58368955     -0.51969183
+H      0.35427756      0.17768004     -0.74686332
+H      2.84515807     -1.45399248      0.15747524
+H      2.21287770     -0.03182687     -2.53072695
+H      3.76979426     -0.89708470     -2.08271427
+H      2.49349068      1.53168948     -0.61717328
+H      5.06690287      1.50255374     -0.58337856
+H      5.01217346     -0.15341818      0.04722603
+H      3.92258034      2.35535561      1.45588685
+H      5.43963958      1.51329251      1.85035946
+H      2.91583133      0.25298710      2.00541225 
+
+19
+-1873.67996848398 11.675776 13.11692 -9.7981 -7.6157 -10.966 0.871 -0.0658 2.795 10.58013 -2.44966 8.6647368128 11.0508845786 0.177404643
+C      1.07795649      0.01822262     -0.07878935
+C      2.58978140      0.07062083     -0.11255549
+C      3.37955431     -0.58161686     -1.22795502
+C      3.36738105      0.93396929     -1.09078620
+C      2.64610270      1.76842638     -2.13266887
+C      4.63890283      1.56827976     -0.55649710
+O      5.64480784      1.76576337     -1.56064859
+H      0.65916261      0.86459460      0.48722201
+H      0.73488799     -0.90869729      0.40547647
+H      0.64072664      0.04143619     -1.08629143
+H      3.05186231     -0.00942841      0.87723693
+H      2.81354667     -1.01329459     -2.05629257
+H      4.28757419     -1.13119985     -0.96774802
+H      1.81034403      1.22766432     -2.59482731
+H      3.34420418      2.05720746     -2.93162025
+H      2.24708796      2.69426957     -1.68785654
+H      5.03473052      0.95869171      0.27878975
+H      4.42781075      2.57553415     -0.16250322
+H      5.81019553      0.89669675     -1.96929522 
+
+17
+-1752.7001010678891 11.399939 12.77997 -9.1221 -7.1676 -10.49 1.2122 -0.4804 0.299 9.44628 0.43648 3.7879458804 12.1110888646 0.160451316
+C      1.06371481     -0.56625249      0.02773293
+C      2.52737956     -0.62303914     -0.33878366
+C      3.01052279     -0.19658296     -1.68193175
+C      3.32485910      0.67926621     -0.47070519
+C      4.72677436      0.68884053      0.03963383
+C      5.19088550      1.97303459      0.69867795
+O      5.46132366     -0.29025143     -0.06058668
+H      0.92486600     -0.45613764      1.11337136
+H      0.54990348     -1.48838070     -0.28420358
+H      0.56059183      0.27801517     -0.46652535
+H      3.11050643     -1.42519461      0.12224299
+H      2.28577353      0.20204213     -2.39346715
+H      3.86696017     -0.72269637     -2.10544245
+H      2.75810648      1.60715135     -0.36825676
+H      5.13008852      2.80750267     -0.01687133
+H      6.22083741      1.86402656      1.05484588
+H      4.52851638      2.22686610      1.54050899 
+
+17
+-1741.4628630925108 11.301843 12.84123 -9.5288 -7.3199 -10.835 1.2767 -0.7566 -0.006 10.06436 0.64766 3.6728744738 11.3488601324 0.192843765
+C      0.89275662     -0.47888141      0.00083699
+C      2.37542100     -0.46099361     -0.29406131
+C      2.87728213     -0.17475348     -1.69197366
+C      3.08380227      0.84120194     -0.58958154
+C      4.46606619      1.10441446     -0.04881281
+C      5.23021604      2.21297540     -0.73624598
+O      4.78902693      2.93921486     -1.60699832
+H      0.68988120     -0.26627220      1.06177078
+H      0.44957449     -1.45785137     -0.23735368
+H      0.36563661      0.27891269     -0.59782670
+H      2.96274103     -1.19309672      0.26960848
+H      2.14092039      0.05677230     -2.46297468
+H      3.75101486     -0.72133072     -2.05168153
+H      2.44808862      1.72834988     -0.64627391
+H      5.09819836      0.19788034     -0.08713453
+H      4.44189608      1.37639120      1.02563987
+H      6.28051719      2.34584643     -0.36148747 
+
+15
+-1571.388521235533 10.086388 11.31118 -9.89 -7.8346 -11.22 0.7011 -0.3691 0.074 10.15447 0.53594 4.3049303046 11.3602048514 0.258735134
+C      0.96845315      0.03589694     -0.12523382
+C      2.47258346     -0.00478867      0.01348218
+C      3.32273900     -0.73889407     -0.97846231
+C      3.33783294      0.78563543     -0.96416482
+C      4.52907633      1.57211820     -0.52814113
+O      5.30241015      1.04896015      0.48458100
+O      4.83787626      2.63730977     -1.01827325
+H      0.54879584      0.92879652      0.35962903
+H      0.50892142     -0.85064736      0.33606796
+H      0.67162591      0.05498529     -1.18372951
+H      2.82814671     -0.00690272      1.04872593
+H      2.82996204     -1.20672575     -1.83179321
+H      4.21662859     -1.26618680     -0.64021070
+H      2.81121402      1.28478797     -1.77771884
+H      4.93806417      0.19234511      0.77781150 
+
+17
+-1723.0598991531429 12.060532 13.2522 -8.5899 -6.5232 -9.371 0.9462 0.0682 1.283 8.90613 -0.77384 6.3874983494 6.3874983494 0.450223989
+C      0.44524957      0.43646766     -0.31817313
+C      1.70278556     -0.38782557     -0.16407948
+C      2.34033082     -1.07428970     -1.36136489
+C      3.01960120      0.09567724     -0.72015243
+O      4.22192187     -0.19233220     -0.02563010
+C      4.49016509      0.65394692      1.02155742
+C      5.62773371      0.58501660      1.72262603
+H      0.33146365      1.15530319      0.50740819
+H     -0.44954797     -0.20415685     -0.33271914
+H      0.45680727      1.00639792     -1.25931536
+H      1.79490265     -0.94349008      0.77299882
+H      1.89572750     -0.92817677     -2.34695032
+H      2.79890839     -2.04940055     -1.19694143
+H      3.03984612      1.05021717     -1.25850133
+H      3.70216221      1.38125869      1.24547213
+H      6.40095125     -0.14649524      1.48832880
+H      5.78575111      1.27195158      2.55070622 
+
+17
+-1680.59626098754 10.57746 11.99241 -9.7037 -7.4812 -10.995 0.8787 -0.1941 2.724 10.6657 -2.36768 8.5535213708 12.1721767668 0.148808042
+C      0.99835991      0.03364988      0.02172289
+C      2.50800013     -0.02710617     -0.02021772
+C      3.22267065     -0.75713486     -1.14828774
+C      3.29511057      0.74754268     -1.05010848
+O      2.54764259      1.51881667     -1.98147761
+C      4.57983547      1.42551456     -0.62615565
+O      5.45777219      1.69437085     -1.72878738
+H      0.65383566      0.86134550      0.65926192
+H      0.58123421     -0.90111142      0.42473767
+H      0.58462144      0.19462639     -0.98247475
+H      2.98995073     -0.09582339      0.96022598
+H      2.58656463     -1.16794977     -1.93496749
+H      4.12136756     -1.33639192     -0.93123344
+H      2.87586694      1.27954823     -2.86647418
+H      5.13970144      0.77412455      0.06132247
+H      4.33445216      2.36057999     -0.08978366
+H      5.07078370      2.44241824     -2.21653283 
+
+15
+-1558.9291049444396 10.120053 11.32128 -10.0655 -7.9056 -11.273 1.8379 -0.2129 -0.147 10.78644 0.68344 4.3810825058 11.5645213808 0.194114486
+C      0.74243147     -0.06451393     -0.15181660
+C      2.20003826     -0.42562332      0.01516480
+C      3.05776215     -0.83747369     -1.17248907
+C      3.27240781      0.48631245     -0.50943924
+O      4.49303078      0.60291939      0.23829895
+C      4.63709369      1.75036599      0.94892833
+O      3.84978084      2.66940412      1.00354046
+H      0.40152079      0.59291739      0.66119918
+H      0.11037287     -0.96512073     -0.15268011
+H      0.57096143      0.46178011     -1.10226069
+H      2.46020769     -0.92862939      0.95014507
+H      2.61185565     -0.83668797     -2.16828833
+H      3.81545692     -1.60290654     -1.00418325
+H      2.98533655      1.41294464     -1.00746120
+H      5.61417308      1.71135150      1.46916171 
+
+17
+-1736.0520298887368 10.716734 11.93303 -9.2284 -7.2221 -11.201 0.9436 0.0727 2.88 10.40018 -2.58933 8.9593275488 10.9167937196 0.092281167
+C      0.97640921      0.01375594     -0.01131487
+C      2.50114195     -0.01414367     -0.00213325
+C      3.12747314     -1.16018559      0.86355095
+C      3.92038082     -0.27371895      1.84356340
+C      4.61896706      0.75543252      0.92975524
+C      3.14105501      1.16571670      0.77358256
+O      2.92843353      0.77155673      2.18412426
+H      0.56516884     -0.90615984     -0.45265834
+H      0.59544034      0.86445808     -0.59719506
+H      0.59090381      0.10157661      1.01496433
+H      2.88406817     -0.03876816     -1.03565107
+H      3.76792600     -1.84654896      0.29122481
+H      2.36086950     -1.74576187      1.38982662
+H      4.39839981     -0.73146751      2.71859948
+H      5.17095898      0.39925826      0.04680863
+H      5.19252601      1.49214910      1.50392404
+H      2.81280782      2.18809062      0.54490827 
+
+15
+-1590.774837804733 10.839516 11.66517 -9.3479 -7.2451 -9.374 1.5154 -0.0031 1.332 8.72894 -0.67921 6.499160141 6.499160141 0.402820413
+C      1.01333374      0.00583182     -0.00602520
+C      2.34720086     -0.02904400     -0.02076887
+C      3.32061988     -1.20678645      0.01978720
+C      4.61408450     -0.36087146     -0.04908151
+C      4.33251021      0.66547939     -1.16624695
+C      3.32822514      1.12303490     -0.07828130
+O      4.32905990      0.70302835      0.94066362
+H      0.41568247     -0.90643997      0.03973998
+H      0.47229476      0.95360036     -0.03624995
+H      3.20262719     -1.90459789     -0.82295745
+H      3.26282308     -1.76891726      0.96222049
+H      5.58292218     -0.85311358      0.09425533
+H      3.94354652      0.31454148     -2.13336611
+H      5.15427874      1.38180727     -1.28252435
+H      2.96688083      2.15150702      0.03358506 
+
+15
+-1580.2175932103094 10.620511 11.68756 -8.7762 -6.67 -8.523 1.4167 -0.1286 1.214 7.983 -0.53469 5.385021945 5.385021945 0.221175443
+C      1.11049573      0.19664517     -0.09460112
+C      2.56817041     -0.07874144      0.00037448
+C      3.33062323     -1.13619409     -0.33489205
+C      4.72936478     -0.65742182      0.08498407
+C      4.76355100      0.78465210     -0.50065247
+C      3.64378263      0.87607204      0.57573097
+O      4.45497885     -0.04060991      1.41158763
+H      0.57027506     -0.64421829     -0.54933360
+H      0.91290096      1.09691110     -0.69931589
+H      0.67757397      0.38580977      0.90131774
+H      3.06114160     -2.09505589     -0.77121123
+H      5.58214554     -1.34564817      0.07231294
+H      4.49358509      0.92749670     -1.55622633
+H      5.66785056      1.33950467     -0.21560130
+H      3.34311060      1.80447805      1.07708617 
+
+17
+-1739.7904236122333 10.798218 11.99884 -8.9784 -6.8994 -10.682 0.9524 0.0645 2.97 10.26927 -2.69968 8.591113926 11.067672283 0.176725119
+C      1.00752377      0.06747832      0.40860252
+C      2.46012618      0.02958466     -0.05797622
+C      2.86746603     -1.32792432     -0.68108072
+C      2.65690659     -1.11139841     -2.17898853
+C      3.71775938     -0.31631345     -2.92334104
+C      2.50689686      0.37694163     -2.35580161
+O      2.68277839      1.01747826     -1.10396676
+H      0.73431133      1.08490707      0.71894039
+H      0.85552941     -0.60971779      1.26244313
+H      0.33087755     -0.24192263     -0.40221857
+H      3.12785183      0.31729122      0.76946609
+H      2.23998795     -2.14679589     -0.30122819
+H      3.91514396     -1.57391139     -0.44940670
+H      2.03580113     -1.81058859     -2.73913676
+H      4.66849006     -0.13575853     -2.41812561
+H      3.77662367     -0.44113733     -4.00589919
+H      1.75662593      0.83424717     -3.00509223 
+
+15
+-1602.7357988531191 10.887974 11.70107 -8.3603 -6.2803 -9.012 0.9505 0.0254 1.378 8.46608 -0.78835 6.163654025 6.163654025 0.394686318
+C      1.27663639      0.21354646      0.68115006
+C      2.25357892     -0.04494788     -0.19772348
+C      2.99411724     -1.35235845     -0.42997081
+C      4.21256363     -0.93947226     -1.23570652
+C      5.07349738      0.17482365     -0.65950015
+C      3.96171590      0.49177739     -1.62269591
+O      2.72952078      0.93207109     -1.05692575
+H      0.83245400      1.20450956      0.75453381
+H      0.89947771     -0.58087708      1.32116340
+H      2.36938097     -2.04113611     -1.02146695
+H      3.23484987     -1.84983067      0.52029313
+H      4.65380459     -1.64598033     -1.93814295
+H      4.92555340      0.45634370      0.38515480
+H      6.09707937      0.25907130     -1.02518909
+H      4.13856986      0.91786963     -2.60914359 
+
+15
+-1605.7794836496862 10.700834 11.75721 -8.0861 -6.0017 -8.458 0.9881 0.1154 1.326 8.00603 -0.7189 5.5125291474 11.5563383048 0.288236205
+C      0.98846394     -0.09466649      0.30736399
+C      2.42232106      0.06749973     -0.05087885
+C      3.16211453      1.16012701     -0.33315190
+C      4.57515691      0.75366983     -0.55343216
+C      5.24375358      0.06246021      0.63464674
+C      4.50247932     -0.75827745     -0.38072669
+O      3.14581586     -1.11646910     -0.11042456
+H      0.49786838     -0.80415821     -0.37614085
+H      0.47059429      0.87016721      0.24862576
+H      0.87729522     -0.49237754      1.32738182
+H      2.78421553      2.17788542     -0.37828805
+H      5.19069259      1.23646624     -1.31443346
+H      6.32971089     -0.03438211      0.61511710
+H      4.79696023      0.20710859      1.61917131
+H      5.00939766     -1.49351334     -1.00506019 
+
+17
+-1747.1069201228338 10.740923 11.94436 -9.6439 -7.5732 -11.659 0.932 0.048 2.835 10.85678 -2.73596 8.9831700566 11.2300071528 0.283744688
+C      1.25792412      0.09970923      0.86987128
+C      2.43700941     -0.00909090     -0.09421624
+C      2.48374547     -1.33995898     -0.88986489
+C      3.21005239     -0.99382894     -2.17202090
+O      4.42158203     -0.22221045     -1.97345942
+C      3.20300199      0.46996376     -2.34557805
+C      2.47257405      1.09949261     -1.17877683
+H      1.27164898      1.05708509      1.41204557
+H      1.27893983     -0.70543420      1.61961342
+H      0.29869096      0.03227934      0.33203382
+H      3.37293009      0.06316484      0.48012936
+H      1.46476445     -1.67965575     -1.14805058
+H      2.96842001     -2.14969366     -0.32413467
+H      3.23608495     -1.68932608     -3.01642281
+H      3.22318895      0.94921192     -3.32925246
+H      2.94999291      2.02312158     -0.81831593
+H      1.45071941      1.36096059     -1.50749065 
+
+15
+-1603.721277282375 10.751622 11.56665 -9.4204 -7.1636 -9.279 1.1668 -0.1698 1.327 8.66136 -0.68033 6.3817577976 6.3817577976 0.406011042
+C      1.17394604      0.01922632      0.85646722
+C      2.21952656      0.00333044      0.02404596
+C      2.92089900     -1.24574135     -0.49207697
+C      4.28738023     -0.75442940     -0.92485857
+O      4.98064277     -0.00074204      0.09796469
+C      4.29022507      0.72090992     -0.94954355
+C      2.92567563      1.23173155     -0.53353017
+H      0.73017001      0.95683564      1.19634443
+H      0.72665671     -0.90480888      1.22748504
+H      2.39399747     -1.66059417     -1.37031326
+H      2.97381661     -2.03980067      0.26678190
+H      4.92648289     -1.35888161     -1.57472566
+H      4.93153958      1.30082228     -1.61930935
+H      2.98168337      2.05057218      0.19828428
+H      2.40033807      1.61892979     -1.42522599 
+
+15
+-1604.7009104734989 10.713326 11.58556 -9.0187 -6.8955 -8.988 1.2386 -0.2554 1.146 8.4241 -0.49121 5.843274201 11.3369946722 0.417656578
+C      0.85144456      0.00358879     -0.05835489
+C      2.34060861      0.02812421      0.05070799
+C      3.13272729      1.10304305      0.24323286
+C      4.56922614      0.71971829      0.17632386
+O      4.96596214      0.16466283     -1.12254186
+C      4.60877526     -0.74020679     -0.05929818
+C      3.17080283     -1.23724027     -0.10706819
+H      0.41173731     -0.70998205      0.65763025
+H      0.53765371     -0.32678599     -1.06210602
+H      0.41518264      0.99399557      0.12541796
+H      2.78340712      2.12684934      0.37999766
+H      5.35653189      1.27357827      0.69279539
+H      5.41650227     -1.38448317      0.29878297
+H      2.96824664     -1.95501060      0.70705001
+H      2.95143160     -1.75648148     -1.05487981 
+
+19
+-1874.459435959567 11.665091 13.10383 -9.9188 -7.6877 -11.606 0.962 0.0091 2.788 11.36238 -2.5305 9.6168005096 9.6168005096 0.099622012
+C      0.94312119      0.00237242     -0.00280458
+C      2.46159510      0.02223814      0.06387677
+C      3.17459338      1.08706010      0.94358784
+C      4.22063130      0.01085655      1.33877246
+C      3.20736404     -1.07814488      0.87955867
+C      3.72385261     -2.30060220      0.14322014
+O      4.45435493     -3.20557283      0.98365781
+H      0.57352386     -0.87562488     -0.55445839
+H      0.55396448      0.89886209     -0.50964948
+H      0.50660356     -0.02760766      1.00783505
+H      2.88396069      0.05486685     -0.95661006
+H      2.54684935      1.36968180      1.80288463
+H      3.53512159      2.00267369      0.45447033
+H      5.09925117      0.04299451      0.67356881
+H      4.56446616     -0.00814129      2.38202324
+H      2.58515540     -1.40091195      1.73185428
+H      4.34355184     -1.97879263     -0.71830501
+H      2.88486396     -2.89107822     -0.25770467
+H      5.20242538     -2.70974962      1.36119218 
+
+19
+-1873.258944099427 11.762639 13.20075 -9.7245 -7.5207 -10.962 0.8536 -0.0592 2.833 10.59236 -2.52191 8.7124466256 10.968793448 0.181705652
+C      0.87801138      0.03841186     -0.23547637
+C      2.37491657      0.03045440      0.02076858
+C      2.73631956     -0.04935284      1.49412161
+C      3.24985600     -0.69265467     -0.98180236
+C      3.23117427      0.82965472     -0.94823628
+C      4.46927465      1.59706932     -0.55489299
+O      5.37633780      1.76359524     -1.65725976
+H      0.65348106      0.08296578     -1.31074531
+H      0.40020263      0.90703796      0.24496774
+H      0.40617500     -0.87072487      0.17056058
+H      3.81932322     -0.10875630      1.66160227
+H      2.28321809     -0.94614385      1.94556715
+H      2.35610360      0.82644055      2.04372463
+H      2.77322234     -1.20267936     -1.82072418
+H      4.14268752     -1.19114345     -0.59495555
+H      2.67562318      1.30805428     -1.76094045
+H      4.98081646      1.10864890      0.29439362
+H      4.21108200      2.62029827     -0.24080849
+H      5.50360467      0.88118408     -2.05040444 
+
+19
+-1875.4310062511342 11.796152 13.10989 -9.3737 -7.236 -10.579 0.8578 -0.0897 2.9 10.19726 -2.58007 8.30644207 10.7886293914 0.133703983
+C      0.88449121      0.13300235     -0.28571874
+C      2.36119481      0.05210454      0.05843473
+C      2.62189678     -0.06279535      1.54989177
+C      3.28164944     -0.71763945     -0.88722750
+C      3.37566448      0.79362283     -0.79339752
+C      2.97301658      1.67304101     -1.95666165
+O      4.47410866      1.32755326     -0.06159584
+H      0.69775440      0.13469872     -1.36753626
+H      0.42644985      1.04055521      0.13940473
+H      0.35407146     -0.73514962      0.13675866
+H      3.69421888     -0.07529132      1.77561961
+H      2.16548346     -0.98453811      1.94403230
+H      2.17682544      0.78901414      2.08834704
+H      2.84765358     -1.15633634     -1.78881271
+H      4.09331308     -1.29018418     -0.43441021
+H      2.12837062      1.25910113     -2.52128907
+H      3.81480476      1.78037472     -2.66049653
+H      2.69900169      2.67771786     -1.60135070
+H      5.25197082      1.28953860     -0.64687210 
+
+17
+-1743.4582334446216 11.079656 12.10576 -9.4534 -7.3336 -10.761 1.051 -0.7981 0.134 9.86696 0.53692 3.7541968912 9.8215633886 0.088128941
+C      0.91257170      0.07702918      0.11495861
+C      2.43319964     -0.02534739      0.01319044
+C      3.26948226      1.03401511      0.82569191
+C      4.21149139     -0.11093293      1.28113027
+C      3.16427898     -1.14948872      0.79580767
+C      2.85134199      0.06032568     -1.43882124
+O      3.58024613     -0.71661460     -2.02738845
+H      0.60626535      0.13739543      1.16908191
+H      0.42375565     -0.80128235     -0.33327083
+H      0.53432166      0.97533716     -0.39841214
+H      2.66757197      1.45023721      1.64675831
+H      3.71238141      1.86789241      0.26015433
+H      5.13330150     -0.15013772      0.68547797
+H      4.47803053     -0.13020907      2.34575540
+H      3.53606430     -1.98105618      0.18314491
+H      2.54281692     -1.54042501      1.61348061
+H      2.43600862      0.96270179     -1.96636969 
+
+19
+-1873.447037856558 11.740122 13.37999 -9.7905 -7.5793 -10.999 0.879 -0.0439 2.986 10.63636 -2.67183 8.9096215614 11.883252191 0.206565832
+C      1.03177329     -0.06082410      0.03235977
+C      2.54390338     -0.04026457     -0.02272746
+C      3.34121419     -0.70731745     -1.12990015
+C      2.68885606     -1.45120717     -2.27519277
+C      3.28574366      0.80878868     -1.03433179
+C      4.50851257      1.59285352     -0.63106098
+O      5.40610198      1.84375834     -1.72351257
+H      0.65363500      0.77567254      0.63921376
+H      0.66086879     -0.99417231      0.48358940
+H      0.58015860      0.02958885     -0.96493568
+H      3.02022833     -0.09275028      0.96181407
+H      4.28233463     -1.15446106     -0.78974832
+H      1.77344793     -0.95210982     -2.62113356
+H      2.41893079     -2.47830738     -1.98432242
+H      3.36823632     -1.51776957     -3.13855323
+H      2.66021613      1.30041442     -1.78701417
+H      5.02967007      1.06499368      0.19244168
+H      4.22827166      2.58972273     -0.25671853
+H      5.58282663      0.98386095     -2.14579704 
+
+19
+-1872.9905735718407 11.668475 13.12085 -8.8944 -6.7597 -10.437 0.8405 -0.0927 2.96 10.10494 -2.84231 8.1621595618 10.2478396552 0.281072129
+C      1.01832182      0.08982142     -0.06142691
+C      2.52923325      0.01177344     -0.01960464
+C      3.36894836     -0.73410182     -1.06993745
+C      2.76815385     -1.46496672     -2.25122781
+C      3.44373262      0.77512930     -0.95552388
+C      2.91164565      1.68805659     -2.03158933
+O      4.62962707      1.36630678     -0.42744629
+H      0.65641954      0.97188596      0.48822101
+H      0.56510363     -0.80028500      0.40158883
+H      0.62686037      0.15980152     -1.08479759
+H      2.92436854     -0.07669459      0.99912833
+H      4.24251977     -1.24497152     -0.64912595
+H      1.87855594     -0.96147608     -2.65207722
+H      2.46663363     -2.48601414     -1.97063450
+H      3.49605793     -1.54674656     -3.07272648
+H      1.99922837      1.29730206     -2.49546082
+H      3.66886292      1.81912247     -2.81839432
+H      2.68658236      2.67718443     -1.60671204
+H      4.95651438      0.79878244      0.29161706 
+
+17
+-1745.8680447292752 11.542009 12.81832 -9.2879 -7.2337 -10.74 1.1367 -0.6575 0.039 9.75291 0.61045 3.711954861 7.131984685 0.268419367
+C      0.99961979      0.03355603     -0.04129763
+C      2.51006002     -0.02849592     -0.01946219
+C      3.32996356     -0.76681277     -1.03001676
+C      2.74347338     -1.53647871     -2.19175491
+C      3.31599323      0.76849928     -1.05496604
+C      4.51739055      1.49324833     -0.60965446
+O      4.91633731      2.55265996     -1.06800123
+H      0.64243890      0.93858352      0.47072157
+H      0.56678247     -0.83728306      0.47397086
+H      0.59865471      0.05200039     -1.06324332
+H      2.94200921     -0.00754362      0.98654439
+H      4.25855248     -1.19313115     -0.63639283
+H      1.83646664     -1.06253644     -2.58908564
+H      2.48064574     -2.56084373     -1.88668093
+H      3.46836951     -1.60671120     -3.01536483
+H      2.75333184      1.24497099     -1.86113441
+H      5.07591067      0.98358809      0.22505836 
+
+17
+-1741.8066489404255 11.154868 12.29161 -9.4576 -7.3062 -10.788 0.8232 -1.0567 0.016 9.93568 0.63972 3.659260811 11.977605537 0.135538457
+C      0.91060353      0.02671294      0.06674715
+C      2.42868592      0.02924611      0.01992550
+C      3.20025101      1.04455392      0.90626593
+C      4.23543645     -0.07488764      1.27325020
+C      3.19816136     -1.11791009      0.72957137
+C      5.50036842     -0.00926462      0.45461611
+O      5.53774307      0.09052626     -0.76119271
+H      0.49534372     -0.81691955     -0.50560818
+H      0.49674645      0.95273765     -0.36096705
+H      0.54643725     -0.05773387      1.10312219
+H      2.78450015      0.11367911     -1.01765469
+H      2.62256858      1.33952600      1.79480521
+H      3.60207529      1.94222705      0.41749418
+H      4.49398806     -0.16218917      2.33780096
+H      3.59827211     -1.92523153      0.10159142
+H      2.61976053     -1.55202273      1.55856562
+H      6.45623809     -0.05861984      1.03949678 
+
+19
+-1880.1099631037991 11.579822 12.85109 -9.5826 -7.4371 -11.232 0.8914 -0.0572 2.712 10.90018 -2.43668 8.986009336 13.2765076702 0.10880861
+C      0.92379286     -0.00308172     -0.03893874
+C      2.43933352      0.00608800      0.06977615
+C      3.16391967      1.04106168      0.97398401
+C      4.22667598     -0.03917212      1.30459379
+C      3.20798663     -1.12455992      0.84091081
+C      2.43452344     -1.74332003      1.99612435
+O      3.70022756     -2.22322523      0.07090400
+H      0.57055103     -0.88399970     -0.59592746
+H      0.56175239      0.89141103     -0.56798729
+H      0.44823281     -0.01657784      0.95304396
+H      2.88094725      0.06080212     -0.94249802
+H      2.55681558      1.30262340      1.85358013
+H      3.51196795      1.96878631      0.50112216
+H      5.08250070      0.01351309      0.61380583
+H      4.60632782     -0.10793768      2.33394874
+H      2.02857126     -0.97312891      2.66572686
+H      3.10494733     -2.39060620      2.57889769
+H      1.60258742     -2.35581810      1.62104435
+H      4.20246881     -1.85403818     -0.67677133 
+
+17
+-1743.8901459174638 11.215495 12.38084 -9.4216 -7.2877 -10.771 1.049 -0.834 0.03 9.91117 0.64051 3.6817146756 7.7068209768 0.120048186
+C      0.92659043     -0.02559730      0.06650493
+C      2.44437344      0.00088744      0.05490880
+C      3.19706331      1.07939257      0.88425722
+C      4.23628100      0.01076344      1.31293214
+C      3.23967726     -1.08692853      0.88037892
+C      3.72092769     -2.26338949      0.08824395
+O      4.87930862     -2.47327164     -0.23043454
+H      0.53078281     -0.91478176     -0.44692117
+H      0.51560564      0.85971981     -0.44236904
+H      0.54054869     -0.02963921      1.09772584
+H      2.81966679      0.00406791     -0.98208088
+H      2.58389841      1.41510185      1.73471672
+H      3.56295259      1.96188618      0.34195725
+H      5.12537252     -0.00467766      0.66778503
+H      4.55884494      0.00762192      2.36157970
+H      2.60295508     -1.44652722      1.70766761
+H      2.90692079     -2.95814832     -0.25242249 
+
+17
+-1747.223736757922 10.737232 11.93128 -9.624 -7.555 -11.576 0.9336 0.0392 2.816 10.83784 -2.48335 8.966729513 10.896819575 0.163185377
+C      1.20602344      0.27549900      0.62254636
+C      2.44445605     -0.11015984     -0.18664390
+C      2.41614680     -1.56268026     -0.73058737
+C      3.28096081     -1.55944275     -2.01131730
+C      3.16417651     -0.13770901     -2.52323988
+O      1.80349740      0.36340538     -2.54648294
+C      2.66766508      0.72438428     -1.43853011
+H      1.27556585      1.30639098      1.00058068
+H      1.07637293     -0.38954216      1.48889448
+H      0.30318179      0.20125066     -0.00159207
+H      3.34519123      0.02696324      0.44159512
+H      1.38003218     -1.82446793     -0.98849193
+H      2.76524536     -2.29031370      0.01473931
+H      4.34184774     -1.76371947     -1.78712842
+H      2.95009710     -2.30572090     -2.74906563
+H      3.80911499      0.23315253     -3.32598503
+H      2.91069473      1.78975995     -1.36785139 
+
+15
+-1604.0573811180082 10.954882 11.61159 -9.341 -7.1896 -9.347 1.3264 -0.2243 1.149 8.7436 -0.51928 6.3655404288 6.3655404288 0.474948802
+C      1.28787718      0.14749694      0.70795873
+C      2.32982976     -0.11165233     -0.09245227
+C      2.82851446     -1.46935005     -0.55839776
+C      4.35316775     -1.28746827     -0.77506721
+C      4.51837856      0.20016962     -1.02694626
+O      3.61321446      0.72136554     -2.01942836
+C      3.28460244      0.90323445     -0.60660316
+H      1.02022837      1.17183652      0.97405518
+H      0.66980666     -0.65175597      1.12003634
+H      2.34399225     -1.72090647     -1.51381199
+H      2.58894650     -2.26902577      0.15453656
+H      4.91697021     -1.55505004      0.13357309
+H      4.74285885     -1.89733825     -1.60294279
+H      5.50246892      0.67729169     -0.98945452
+H      3.26811362      1.93881241     -0.25763557 
+
+13
+-1459.7503623871032 11.103126 11.07275 -8.9695 -6.9238 -8.732 0.1469 -1.4388 -0.007 8.24885 0.51414 4.980579613 4.980579613 0.569870504
+C      0.97041701     -0.00864680     -0.02412568
+C      2.30142057      0.18250848      0.01050996
+C      3.02401728      1.45937848      0.08317976
+C      4.36052563      1.26798205     -0.00998315
+C      4.65914705     -0.19434231     -0.09612746
+O      4.23626187     -0.93558234      1.08726492
+C      3.35228048     -0.88857968     -0.06354126
+H      0.54331318     -1.00916158     -0.10479335
+H      0.27418313      0.82969106      0.03215955
+H      2.52644568      2.41838978      0.23090768
+H      5.12381977      2.04423822      0.01627084
+H      5.54363767     -0.58998927     -0.60003937
+H      3.15670066     -1.84889610     -0.54694244 
+
+15
+-1604.1231534251417 10.679963 11.61266 -9.0356 -6.8765 -8.959 1.4708 -0.0865 1.162 8.40546 -0.51075 5.8484072214 11.5720721282 0.357749544
+C      0.99143327     -0.07743732      0.00293162
+C      2.46045575      0.19782756     -0.01129807
+C      3.09535103      1.36353918      0.22368623
+C      4.59938263      1.24367203      0.11902319
+C      4.81222329     -0.23996055     -0.15280248
+O      4.35010050     -1.11551344      0.89615066
+C      3.48058483     -0.87398488     -0.25460919
+H      0.73385152     -0.80223455      0.79171023
+H      0.66019402     -0.51802439     -0.95117866
+H      0.41087404      0.83820656      0.17410092
+H      2.59808446      2.29293454      0.50893557
+H      5.00732011      1.85595956     -0.70359846
+H      5.11267855      1.56295997      1.04117542
+H      5.68748738     -0.59519605     -0.70339113
+H      3.26829862     -1.75796822     -0.86255585 
+
+15
+-1600.972192017831 10.600427 11.36583 -9.3477 -7.2198 -9.335 1.1678 -0.3887 1.065 8.81267 -0.45154 6.0828399502 10.9981905286 0.310026238
+C      0.96922083      0.01517661     -0.01482303
+C      2.50071292      0.11167792     -0.04623408
+C      3.02494990      1.42840313      0.49625315
+C      3.77801702      1.26940146      1.59907787
+C      3.93317838     -0.18069301      1.90725533
+O      4.60429056     -0.92485688      0.84001462
+C      3.16688680     -0.91406648      0.87324132
+H      0.62905590     -0.95689955     -0.40205252
+H      0.51252680      0.80227929     -0.63122878
+H      0.59102094      0.13029837      1.01157716
+H      2.85326020     -0.03871631     -1.08237378
+H      2.81823341      2.38181049      0.00587399
+H      4.25283479      2.06578372      2.17169458
+H      4.11853357     -0.55955236      2.91490847
+H      2.69057799     -1.88298641      1.05626571 
+
+19
+-1893.3210244007644 11.453789 12.72748 -9.7315 -7.5439 -11.73 0.8923 -0.0578 2.82 11.27115 -2.52372 9.4608633174 10.647545722 0.128857011
+C      0.98605386      0.00022661     -0.06526446
+C      2.50535778      0.02631560      0.06834142
+C      3.08666869      1.14325320      0.94868434
+C      4.53247866      0.68355639      1.19070440
+C      4.39400756     -0.83467892      1.42331761
+C      3.10809230     -1.27419121      0.66113740
+O      3.30753427     -2.30775242     -0.31380221
+H      0.66240835     -0.85893673     -0.67048532
+H      0.60367963      0.91430198     -0.54299719
+H      0.51027283     -0.08498198      0.92477333
+H      2.94649680      0.14061205     -0.94229889
+H      2.53656015      1.18885336      1.90557903
+H      3.01423698      2.13677950      0.48200805
+H      5.13592131      0.88300596      0.28927751
+H      5.02181001      1.20343083      2.02633977
+H      5.26361236     -1.41404356      1.08167040
+H      4.27816263     -1.04617779      2.49733850
+H      2.38897800     -1.72325307      1.36477397
+H      3.90712784     -1.95336981     -0.99571766 
+
+13
+-1489.0479509532797 11.366021 11.17719 -8.9787 -6.9627 -8.908 -0.3553 -1.99 -0.736 8.48218 1.2779 3.4688555108 4.4583009866 0.316205778
+C      1.00016343      0.00675172     -0.21169795
+C      2.32211160     -0.05847884      0.04161663
+C      3.19927806     -1.21356638      0.19335176
+C      4.47299480     -0.83336048      0.44464601
+C      4.61897902      0.66090474      0.49541169
+C      3.19075498      1.16444857      0.22720357
+O      2.83494347      2.32887279      0.17535048
+H      0.51580595      0.98157519     -0.29019774
+H      0.38909548     -0.88724780     -0.34233886
+H      2.85754536     -2.24561459      0.11182635
+H      5.30663227     -1.51925448      0.59495422
+H      4.97518705      1.03677960      1.46862441
+H      5.31014852      1.06314995     -0.26335057 
+
+13
+-1489.4991004597366 11.10307 11.1188 -9.0706 -7.2108 -10.004 -0.4249 -2.0457 -0.906 9.08131 1.6329 3.3183861012 5.2348253046 0.330940647
+C      1.05726044      0.02412552      0.22074222
+C      2.36953238     -0.03655437     -0.03565208
+C      3.25778191     -1.25075309     -0.17258963
+C      4.61093505     -0.65687353     -0.47133722
+C      4.59315090      0.69067076     -0.51265716
+C      3.22278676      1.19186447     -0.24773050
+O      2.84919336      2.36002415     -0.20723281
+H      0.57219319      1.00086025      0.28366473
+H      0.44537608     -0.86699289      0.37059919
+H      2.92860930     -1.92550394     -0.98101082
+H      3.28322003     -1.85945202      0.74740518
+H      5.49206424     -1.27997344     -0.63178804
+H      5.43647635      1.35094813     -0.70787306 
+
+15
+-1627.4755775423198 11.074213 11.6985 -9.086 -7.1337 -10.003 -0.1031 -1.7997 -0.467 9.39023 1.09295 3.4952645288 5.4116045434 0.328922766
+C      1.03359709     -0.03243209      0.19542373
+C      2.35649254      0.04884563     -0.00577881
+C      3.25573668      1.26067133     -0.02350637
+C      4.46920229      0.81961884     -0.87866815
+C      4.61721856     -0.68288499     -0.59062852
+C      3.19277555     -1.16645827     -0.31452924
+O      2.80343008     -2.32394328     -0.34214176
+H      0.54755368     -1.00994303      0.15622066
+H      0.41566106      0.84476128      0.39478231
+H      3.58790629      1.48679706      1.00535046
+H      2.75953366      2.16221463     -0.40809025
+H      4.23955962      0.96945391     -1.94515533
+H      5.37558985      1.39578408     -0.65140768
+H      5.08790889     -1.27216440     -1.38777593
+H      5.20210415     -0.85636071      0.33025487 
+
+17
+-1756.1239859855718 11.471874 12.32414 -9.0775 -6.8995 -8.872 0.9527 -0.053 1.317 8.31966 -0.64165 5.9410123648 5.9410123648 0.322543561
+C      0.98202364      0.01793987      0.04911701
+C      2.47370819     -0.02251395     -0.03921633
+C      3.27160133     -1.10181451     -0.10964587
+C      4.73771575     -0.75240909     -0.09003762
+C      4.73868067      0.77924237     -0.30171113
+C      3.29902328      1.25391906      0.01412321
+O      2.82459292      2.30113979     -0.85027148
+H      0.54133646     -0.98180553     -0.05896120
+H      0.55618333      0.67832037     -0.72132238
+H      0.66222013      0.43338401      1.01950289
+H      2.91366428     -2.13422299     -0.12459952
+H      5.18492086     -1.02370553      0.88280209
+H      5.31926519     -1.29230447     -0.85452995
+H      4.94529971      1.01053934     -1.35927172
+H      5.49682595      1.30402963      0.29454145
+H      3.23014468      1.70595556      1.02026445
+H      2.86729361      1.95488606     -1.76131391 
+
+15
+-1612.6881820209405 11.3075 11.78104 -8.3336 -6.2497 -8.232 0.3914 -1.1449 0.47 7.7611 0.09078 4.381293282 7.1145398548 0.357882322
+C      0.94064277      0.06832631     -0.03174090
+C      2.43014502      0.08009980     -0.00930991
+C      3.28689522      1.12385634      0.08837873
+C      4.67886478      0.63757999      0.04493470
+C      4.68848234     -0.70727036     -0.08202035
+C      3.25873250     -1.20218877     -0.07172358
+O      2.89779174     -2.12260855     -1.10990889
+H      0.53016786      1.08491374     -0.09002684
+H      0.52870252     -0.41467402      0.86989717
+H      0.56785107     -0.51406481     -0.88987516
+H      3.00711210      2.17407983      0.18256070
+H      5.55380645      1.28451673      0.11454720
+H      5.54998404     -1.36961374     -0.13790964
+H      3.09039010     -1.75790082      0.87203530
+H      3.14842147     -1.70078166     -1.95226853 
+
+13
+-1484.0866010322507 10.782249 11.15299 -8.9366 -6.813 -8.886 -1.0688 -2.83 -1.529 8.40907 1.83263 2.6817427884 6.5736385312 0.889644113
+C      0.92332322      0.02858612     -0.00620026
+C      2.40950723      0.05746094     -0.00200798
+C      3.27809608      1.08784410      0.00236092
+C      4.68692869      0.57545512      0.00502176
+C      4.69599327     -0.77103166      0.00242009
+C      3.25896542     -1.21447630     -0.00234208
+O      2.83310097     -2.35885293     -0.00530470
+H      0.50095956      1.04135770     -0.00145955
+H      0.53960942     -0.51749215      0.86950105
+H      0.54428893     -0.50701904     -0.89041791
+H      3.02658459      2.14837795      0.00389441
+H      5.55816797      1.22997989      0.00868407
+H      5.54164465     -1.45269976      0.00337019 
+
+15
+-1636.4704484843237 11.091822 11.71685 -8.9742 -7.0495 -9.628 0.2923 -1.3201 -0.451 9.22083 1.08251 3.5383248666 5.1022842706 0.363246527
+C      0.97437396      0.03068979      0.07588303
+C      2.46160791     -0.02536984     -0.02752981
+C      3.27901179     -1.10070587     -0.04591172
+C      4.73908203     -0.75293118     -0.16186591
+C      4.75812057      0.78369405     -0.21763280
+C      3.28721832      1.20931228     -0.13252693
+O      2.86580702      2.35924496     -0.14909483
+H      0.52882602     -0.97149053      0.11074059
+H      0.55115896      0.58096463     -0.77754837
+H      0.67219546      0.58558455      0.97688709
+H      2.93792218     -2.13726707      0.01561124
+H      5.30707281     -1.15356146      0.69417509
+H      5.18192776     -1.21509792     -1.05972960
+H      5.19518909      1.17984678     -1.14527831
+H      5.31347612      1.24114683      0.61354123 
+
+19
+-1878.248506148165 11.556473 12.77281 -9.5947 -7.4422 -11.282 0.8875 -0.055 2.668 10.95912 -2.36921 9.103548064 10.5835193516 0.081682119
+C      0.89500574     -0.03926439      0.10236621
+C      2.41432735      0.00740076     -0.01269193
+C      2.85119559      0.05477250     -1.47890776
+C      3.16826323      1.07296581      0.84889897
+C      4.22726270      0.00269586      1.22883054
+C      3.20266585     -1.07748705      0.80869378
+O      3.62955311     -2.28641218      0.20244891
+H      0.57894588     -0.06684839      1.15605044
+H      0.49158553     -0.93536393     -0.39467207
+H      0.42936313      0.84229886     -0.36599114
+H      3.94432317      0.13189830     -1.59078840
+H      2.41416684      0.93364105     -1.97702643
+H      2.51228710     -0.84057706     -2.02264611
+H      2.57177182      1.39069483      1.71633312
+H      3.52710050      1.96757913      0.32092654
+H      5.08951249      0.02462755      0.54491439
+H      4.60140370     -0.02341972      2.26085444
+H      2.59618413     -1.39040808      1.67354398
+H      4.19466215     -2.05363385     -0.55594749 
+
+17
+-1752.1186652429908 11.134295 12.19663 -8.9668 -6.9745 -10.264 1.0306 -0.7345 0.402 9.49239 0.39922 3.7317554252 8.1779181824 0.123356531
+C      0.93056465     -0.02959618      0.19750716
+C      2.43584377      0.03282763     -0.06003069
+C      2.75547459      0.02826235     -1.55990995
+C      3.24101449      1.10413801      0.75918870
+C      4.13212617     -0.00373613      1.39647214
+C      3.25030790     -1.04740632      0.69813139
+O      3.17888381     -2.25504098      0.74651126
+H      0.70433469     -0.02607804      1.27371610
+H      0.50435555     -0.94670165     -0.23403370
+H      0.42501066      0.83449250     -0.26048284
+H      3.83935663      0.05785823     -1.74569410
+H      2.30382895      0.90682811     -2.04609901
+H      2.35400052     -0.87692307     -2.03779715
+H      2.62176520      1.63700663      1.49271664
+H      3.77833466      1.83907257      0.14618155
+H      5.17440257     -0.02778851      1.04461035
+H      4.14157521     -0.07620514      2.49328215 
+
+17
+-1752.0955409139729 11.296068 12.10189 -9.3635 -7.1497 -9.126 1.0173 -0.0467 1.237 8.6088 -0.60144 6.0704661474 6.0704661474 0.305254365
+C      0.93050752      0.00632041      0.09840308
+C      2.45185531     -0.01808178     -0.05456277
+C      3.02877294     -1.23371888     -0.75210482
+C      4.09078980     -0.91388470     -1.50889656
+C      4.38343569      0.56674627     -1.43746575
+C      3.06055592      1.15384823     -0.88751651
+O      2.20129917      1.58294697     -1.95116365
+H      0.59745982      0.93379450      0.58545631
+H      0.59247637     -0.84048722      0.71305330
+H      0.42497022     -0.05435503     -0.87518550
+H      2.89806503      0.03749027      0.95894060
+H      2.63547375     -2.24247219     -0.61059057
+H      4.69820004     -1.62114222     -2.07590577
+H      5.22314788      0.76494660     -0.74619846
+H      4.64894381      1.02815877     -2.40111608
+H      3.21478047      2.05402717     -0.27582275
+H      2.08199626      0.81909283     -2.54634409 
+
+15
+-1627.3823733738 10.779595 11.5259 -9.2055 -7.1618 -9.604 0.9251 -0.8024 0.328 9.545 0.44677 3.7280358452 6.1479821946 0.282865145
+C      0.94567490      0.02651910     -0.10409547
+C      2.47195918     -0.06200542      0.03926234
+C      3.12611165     -1.26156540     -0.59671030
+C      4.10293767     -0.93054932     -1.45702675
+C      4.29561101      0.55652729     -1.55837193
+C      3.19838475      1.11882747     -0.64257584
+O      2.93071225      2.29488463     -0.48881797
+H      0.58660660      0.98866160      0.28517059
+H      0.45368184     -0.78269289      0.45298636
+H      0.64699003     -0.05341357     -1.15913886
+H      2.71924933     -0.00649271      1.11747049
+H      2.82112789     -2.28452153     -0.36929760
+H      4.70140395     -1.64597348     -2.02226548
+H      5.28198589      0.89852097     -1.19956283
+H      4.18648306      0.96254328     -2.57751674 
+
+17
+-1752.4559306831457 11.302748 12.04908 -9.4979 -7.3164 -9.326 1.1997 -0.1555 1.19 8.8024 -0.56617 6.2275316122 6.2275316122 0.314204783
+C      0.99316433      0.00214500      0.09114973
+C      2.51874696     -0.04554467     -0.03994087
+C      2.98636599     -1.27991712     -0.86164832
+C      3.44732128     -0.69526336     -2.17062332
+C      3.44888318      0.64675601     -2.15988080
+C      3.06687340      1.19650189     -0.81026353
+O      4.18725444      1.84621622     -0.16802346
+H      0.66981337      0.89932791      0.63963618
+H      0.61187203     -0.87794263      0.62961208
+H      0.51526890      0.02106688     -0.90147433
+H      2.96545068     -0.04179891      0.96597141
+H      2.16382487     -2.00101666     -1.00495075
+H      3.79846021     -1.84450132     -0.37099639
+H      3.74742603     -1.31374424     -3.01942756
+H      3.75109734      1.29156010     -2.98661146
+H      2.30438053      1.99054277     -0.86830513
+H      4.96115646      1.26869212     -0.30373349 
+
+15
+-1632.1712204466728 10.927838 11.46948 -8.9855 -7.0578 -10.109 0.1727 -1.4769 -0.518 9.18168 1.11546 3.536824636 5.4528670842 0.415211559
+C      0.98543857     -0.00338743      0.25731804
+C      2.46562207     -0.02215120     -0.12733458
+C      2.92911445     -1.23975672     -0.95341957
+C      3.63084136     -0.64920659     -2.14655028
+C      3.59312062      0.69720642     -2.16774945
+C      2.85572077      1.20070138     -0.98841357
+O      2.58885018      2.36625629     -0.72611724
+H      0.73357012      0.95326308      0.73455243
+H      0.74360713     -0.81738883      0.95511330
+H      0.34824851     -0.11536901     -0.63305445
+H      3.07197046      0.05574468      0.79165649
+H      2.07779729     -1.86225470     -1.28018978
+H      3.59750237     -1.91409003     -0.39307849
+H      4.10376361     -1.27441213     -2.90683297
+H      4.01058249      1.35518480     -2.92865989 
+
+19
+-1878.016799343005 11.580351 13.00791 -9.5978 -7.4196 -11.261 0.9193 -0.0205 2.765 10.9656 -2.52868 9.1182280064 10.8922692888 0.099805803
+C      0.91749432     -0.01971536      0.02686534
+C      2.43665894      0.01368492      0.04135255
+C      3.18829717      1.06005931      0.91664639
+C      4.26282524     -0.01496882      1.25853633
+C      5.51169856      0.05289237      0.38416543
+C      3.21337902     -1.08556471      0.81447719
+O      3.61744501     -2.27912070      0.16078463
+H      0.54653444     -0.90853634     -0.50542606
+H      0.49632677      0.86804551     -0.46913642
+H      0.51772247     -0.05042826      1.05280786
+H      2.82214994      0.05981468     -0.99257123
+H      2.59529271      1.34754102      1.79776240
+H      3.54276348      1.97286135      0.41691803
+H      4.55897299     -0.07533784      2.31674630
+H      5.26791253      0.16645444     -0.68478114
+H      6.13031195     -0.84993677      0.49982387
+H      6.13078723      0.91810633      0.66374712
+H      2.62558897     -1.42061762      1.68434180
+H      4.16302823     -2.02485352     -0.60512039 
+
+17
+-1751.672782140071 11.153365 12.45881 -8.9621 -6.9434 -10.263 0.8727 -0.8012 0.396 9.49259 0.40998 3.7245642372 11.344595014 0.079860596
+C      0.84337068     -0.02703802      0.18452155
+C      2.34910230      0.05027195     -0.02926569
+C      3.20685519      1.10412978      0.74462458
+C      4.21687822     -0.00253894      1.19270221
+C      5.59204862      0.00811941      0.52318183
+C      3.22862134     -1.03663323      0.61677284
+O      3.13473167     -2.24109130      0.70688353
+H      0.43543409     -0.94234567     -0.26639405
+H      0.33308038      0.83528579     -0.26802476
+H      0.59945264     -0.04288346      1.25717390
+H      2.57828233      0.08038294     -1.10961078
+H      2.65898788      1.54675467      1.58804302
+H      3.63535570      1.90971555      0.13405030
+H      4.33000315     -0.10682463      2.28393309
+H      5.50351287      0.11332502     -0.56867586
+H      6.13247916     -0.92582702      0.73072005
+H      6.19867378      0.84674715      0.89440423 
+
+17
+-1770.3787938865448 10.926353 12.10261 -9.0137 -6.9882 -10.43 0.987 -0.6751 0.369 9.52107 0.40862 3.7392193824 11.7859975726 0.231718742
+C      0.95154860     -0.01611272      0.00882845
+C      2.47453116      0.04639099      0.05729384
+C      3.11203953      1.16322788      0.90056612
+C      4.53955394      0.65450600      1.19014583
+C      4.35261536     -0.85062769      1.42968448
+C      3.12811966     -1.23768011      0.59637776
+O      2.72884909     -2.37126990      0.39909831
+H      0.62359741     -0.92263222     -0.51730608
+H      0.53187164      0.85929849     -0.50559199
+H      0.53195818     -0.04710209      1.02568385
+H      2.86466478      0.13103738     -0.97779361
+H      2.55148727      1.27035945      1.84581409
+H      3.09916192      2.14159394      0.40039758
+H      5.17896157      0.81779013      0.30737341
+H      5.01229556      1.17245893      2.03527660
+H      5.21380590     -1.48603220      1.18357311
+H      4.09524844     -1.05903625      2.48295824 
+
+15
+-1632.2526381382409 11.383926 12.39314 -7.8759 -5.9448 -7.813 0.9173 0.0739 0.72 7.39473 -0.09819 4.3150351636 6.8183744966 0.426582096
+C      1.00815897     -0.08010761     -0.00743678
+C      2.47879114      0.13090324      0.00009808
+C      3.27993448      1.24009921      0.00438655
+C      4.63617655      0.77474085      0.01120446
+C      4.58690671     -0.59286899      0.01064625
+C      5.61546254     -1.67147169      0.01508316
+O      3.26733690     -1.00137157      0.00377017
+H      0.49681303      0.89018528     -0.00094531
+H      0.67617137     -0.64915357      0.87460048
+H      0.68242082     -0.63391059     -0.90150534
+H      2.93858043      2.27123047      0.00304991
+H      5.53797321      1.38016082      0.01605418
+H      5.12543723     -2.65290318      0.02568354
+H      6.26557640     -1.60716648      0.89998260
+H      6.25811022     -1.62289619     -0.87640195 
+
+19
+-1889.016188178898 11.329021 12.52609 -9.2093 -7.1358 -11.279 0.9185 0.0018 2.962 10.5769 -2.70803 9.068769991 11.0687385626 0.132584568
+C      0.95551153      0.06515136      0.11498988
+C      2.47641753      0.00811704     -0.05977315
+C      2.99369701     -1.35196416     -0.55753739
+C      2.69272980     -1.57231886     -2.04591002
+C      3.20669414     -0.37859818     -2.85877667
+C      2.65547357      0.92455914     -2.28352837
+O      2.96934640      1.08082644     -0.89430098
+H      0.65241807      1.07174351      0.43443861
+H      0.64068785     -0.65067278      0.88856653
+H      0.40935445     -0.18191694     -0.80611664
+H      2.93694737      0.22184967      0.91852087
+H      2.56158776     -2.15798207      0.05685105
+H      4.08543460     -1.37813790     -0.40544720
+H      3.15549557     -2.50937903     -2.39167760
+H      1.60616452     -1.68535960     -2.20351725
+H      4.30877722     -0.34825058     -2.81925281
+H      2.91717925     -0.46432095     -3.91859896
+H      3.10127780      1.80015471     -2.77766832
+H      1.55986555      0.97484917     -2.44456158 
+
+17
+-1749.8239169552103 11.627144 12.41004 -8.6677 -6.5782 -9.119 0.939 -0.092 1.382 8.53352 -0.80195 6.2474933582 6.2474933582 0.342096387
+C      1.01851457      0.10040862      0.11311648
+C      2.34400393      0.00611575     -0.06812715
+C      3.12919791     -1.28227574     -0.05870907
+C      4.15915133     -1.33495582     -1.19781234
+C      4.99647904     -0.05349622     -1.17920770
+C      4.07966626      1.16067089     -1.23402543
+O      3.08990913      1.16841696     -0.17961166
+H      0.52352923      1.07070563      0.11804404
+H      0.42453179     -0.79415471      0.29284344
+H      2.43574226     -2.13321870     -0.10366240
+H      3.66731827     -1.34611564      0.90460699
+H      4.79656490     -2.22607103     -1.09578522
+H      3.63554266     -1.41997953     -2.16562355
+H      5.60379082     -0.01306787     -0.25940384
+H      5.69104654     -0.01606721     -2.03337067
+H      4.63499990      2.09964562     -1.10614354
+H      3.55379147      1.19765901     -2.20749838 
+
+15
+-1606.0791711373465 11.454657 11.87319 -8.771 -6.6549 -9.098 0.8982 -0.0716 1.198 8.70985 -0.56375 6.1793506526 6.1793506526 0.420910533
+C      0.97250298      0.13140250     -0.26293870
+C      2.24496078     -0.02487627      0.12814572
+C      2.95065769     -1.35484913      0.24214636
+C      4.42076540     -1.24691096     -0.05008440
+C      5.02762913     -0.05872181     -0.13557474
+C      4.29399743      1.22609986      0.07671553
+O      2.95073693      1.07793739      0.57454976
+H      0.51874705      1.12104882     -0.29538813
+H      0.36489249     -0.73407226     -0.52176699
+H      2.47410479     -2.07864306     -0.43648823
+H      2.80825511     -1.75451346      1.26419650
+H      4.98467311     -2.17187193     -0.19034622
+H      6.09275649      0.02137838     -0.36648003
+H      4.81180511      1.84971078      0.82295377
+H      4.25881552      1.80857116     -0.86566021 
+
+15
+-1611.83029629556 11.523276 11.82981 -8.3263 -6.2883 -8.849 1.1615 -0.1285 1.077 8.40716 -0.52342 5.7693413492 5.7693413492 0.359606257
+C      0.97320278     -0.06764737      0.38666347
+C      2.23617531     -0.00718997     -0.05467424
+C      2.98741294      1.23844955     -0.43277277
+C      4.38334468      1.26667157      0.21317483
+C      5.03578555     -0.07114870      0.01187481
+C      4.29880767     -1.16519385     -0.22503457
+O      2.91920062     -1.20872806     -0.23840281
+H      0.39401371      0.84586649      0.50254244
+H      0.50470352     -1.02265305      0.61983915
+H      2.38883575      2.11762599     -0.16191617
+H      3.11359047      1.24438084     -1.52952187
+H      4.30574433      1.51108839      1.28740916
+H      4.98857312      2.06517010     -0.24365201
+H      6.12065911     -0.17248211      0.03035715
+H      4.70870044     -2.15735979     -0.41089657 
+
+15
+-1613.4463168687143 11.987119 12.37867 -8.1885 -6.2917 -8.932 0.8967 -0.0922 1.184 8.43984 -0.83721 5.958023244 5.958023244 0.610057201
+C      1.10187767     -0.12853827      0.09568824
+C      2.41547157      0.04303116     -0.08378868
+C      3.25014967      1.29875731     -0.01202414
+C      4.49230565      0.91799848     -0.83413610
+C      4.52482313     -0.58487702     -0.69622089
+C      5.53954589     -1.44145244     -0.85031046
+O      3.24832702     -1.03361609     -0.37202937
+H      0.64585387     -1.11392903      0.02154456
+H      0.47263604      0.72661777      0.33120043
+H      3.52692700      1.49439767      1.03677409
+H      2.71304863      2.17571712     -0.39176901
+H      4.35010423      1.18494670     -1.89403304
+H      5.42055308      1.38627989     -0.48656505
+H      5.39714376     -2.51334694     -0.72688155
+H      6.52618280     -1.06829630     -1.11486902 
+
+17
+-1755.728859662301 11.42643 12.43018 -8.1946 -6.1131 -8.666 0.9359 0.0264 1.38 8.13771 -0.75745 5.826660077 5.826660077 0.290040316
+C      1.00934114     -0.09869881      0.16164390
+C      2.49471086      0.03221997      0.03609265
+C      3.16014590      1.17480327     -0.22596807
+C      4.66239242      1.26369120     -0.24292821
+C      5.26702477     -0.00579796      0.36841390
+C      4.50602441     -1.22410928     -0.13679720
+O      3.11248738     -1.18557562      0.23686755
+H      0.61409901     -0.79826968     -0.59086268
+H      0.52142094      0.87505965      0.03601021
+H      0.74357947     -0.50234268      1.15070472
+H      2.57266095      2.07849491     -0.39244787
+H      5.03741632      1.40821823     -1.27283622
+H      4.99407297      2.15011604      0.32303678
+H      6.33329021     -0.10818906      0.11583079
+H      5.18920111      0.02877032      1.46677219
+H      4.89074700     -2.16098021      0.28808493
+H      4.56619513     -1.28449029     -1.23912737 
+
+15
+-1612.4768696623294 11.57004 11.89332 -7.7713 -5.7436 -7.878 0.8312 -0.6913 0.44 7.42311 0.16778 4.1923882124 11.8131505066 0.269380018
+C      1.00654895     -0.03623594     -0.07356389
+C      2.50254924      0.06152679     -0.00355086
+C      3.21768531      1.19343806      0.24384187
+C      4.63838023      1.19655481     -0.04758231
+C      5.28564324      0.02078207     -0.19290023
+C      4.50007616     -1.21508212      0.12819804
+O      3.12169196     -1.11152130     -0.33858998
+H      0.70948361     -1.05700527     -0.34169370
+H      0.59057123      0.66126432     -0.81389116
+H      0.55870003      0.20509257      0.90139025
+H      2.68842053      2.11468180      0.48341210
+H      5.14129516      2.14937447     -0.22563375
+H      6.32332402     -0.05552897     -0.51665808
+H      4.89511185     -2.11612090     -0.35716733
+H      4.45646848     -1.39149039      1.22399902 
+
+15
+-1616.2775521743893 12.338001 12.39634 -7.6088 -5.704 -7.987 0.9967 -0.5059 0.382 7.44204 0.20748 4.669064788 4.669064788 0.567732751
+C      1.02395717      0.10278192     -0.04020171
+C      2.49967383     -0.06537131     -0.07145207
+C      3.27697627     -1.17093919      0.04945578
+C      4.66943289     -0.78043009     -0.05469635
+C      5.78405429     -1.53870570      0.00483623
+C      4.62433274      0.72563320     -0.25448365
+O      3.21144720      1.09413147     -0.25409224
+H      0.52926861     -0.86417633      0.10438524
+H      0.66636074      0.55027242     -0.97981137
+H      0.72955438      0.78024552      0.77555603
+H      2.91039642     -2.18266553      0.19908614
+H      6.77894107     -1.10304712     -0.09131187
+H      5.72264919     -2.61690539      0.15158908
+H      5.05072875      1.04594123     -1.21667902
+H      5.11263644      1.28271491      0.55885979 
+
+15
+-1616.1850170216937 11.13885 11.83147 -8.0276 -5.9967 -8.455 0.9109 0.0224 1.12 8.1105 -0.62683 5.059124744 10.8137861508 0.423561091
+C      1.00600679     -0.12044219      0.00540085
+C      2.48361197      0.07060042     -0.09210921
+C      3.13853109      1.24155198     -0.07568976
+C      4.63650481      1.36334271     -0.17822012
+C      5.24494676     -0.00727114     -0.30261129
+C      4.50464276     -1.12036573     -0.30890483
+O      3.12742251     -1.16136717     -0.20667534
+H      0.49702477      0.84679193      0.08744149
+H      0.75116927     -0.73202540      0.88433469
+H      0.62467696     -0.64894447     -0.88153697
+H      2.54150367      2.14990727      0.01758187
+H      5.04716501      1.89278024      0.70385639
+H      4.91893426      1.99478932     -1.04326448
+H      6.32658899     -0.11385319     -0.39161404
+H      4.91033038     -2.12771458     -0.39671925 
+
+15
+-1615.5248871512242 11.58504 12.3587 -7.9093 -5.9464 -8.537 0.8809 0.0187 1.202 8.09051 -0.67483 5.5572013032 11.7243517334 0.411581278
+C      1.06404634      0.12267823     -0.00598549
+C      2.52728840     -0.10895098     -0.10634290
+C      3.28152812     -1.21219780      0.00349690
+C      4.72616698     -0.83648000     -0.19373022
+C      4.62508176      0.66038904     -0.43253406
+C      5.57908740      1.56575020     -0.67524510
+O      3.28039327      1.03965183     -0.36614888
+H      0.54364962     -0.82041643      0.19754051
+H      0.67209036      0.55015576     -0.94102325
+H      0.83652658      0.83539992      0.80109608
+H      2.90944974     -2.21270828      0.20302613
+H      5.35234138     -1.06129199      0.68615897
+H      5.19118531     -1.34971898     -1.05218272
+H      6.62103859      1.25750149     -0.72442284
+H      5.33373615      2.61520799     -0.82624312 
+
+19
+-1890.362498415088 11.469987 12.67511 -9.1506 -7.0891 -11.216 0.9196 0.0038 2.849 10.45645 -2.51869 8.9100183166 10.446254451 0.140802677
+C      1.10739949     -0.12959897      0.16915786
+C      2.60284905      0.06224230     -0.09355035
+C      2.88212267      0.23484580     -1.58903892
+C      3.20967530      1.21149672      0.75577450
+C      4.53138509      0.62982664      1.27304913
+C      4.15345949     -0.83825981      1.44970524
+O      3.30983405     -1.14774543      0.33393722
+H      0.92739192     -0.33512732      1.23398309
+H      0.71932191     -0.97555340     -0.41566878
+H      0.54174767      0.77246475     -0.10954104
+H      3.95097026      0.42079100     -1.76674047
+H      2.30568198      1.07602433     -2.00209159
+H      2.60065717     -0.67869181     -2.13150123
+H      2.54432593      1.44697511      1.60140578
+H      3.33962766      2.12958716      0.16645271
+H      5.32771269      0.72802069      0.51940544
+H      4.87709938      1.10157676      2.20339650
+H      5.00916608     -1.52897937      1.42397735
+H      3.61213222     -0.99087515      2.40618758 
+
+17
+-1752.1714801364772 11.24916 12.10921 -8.1739 -6.0721 -8.876 0.9205 0.0169 1.316 8.45069 -0.75157 5.8579169476 5.8579169476 0.231501087
+C      0.88051082     -0.05253370      0.01334799
+C      2.40578369     -0.07051168     -0.03894794
+C      3.03629015      0.08441027      1.33976138
+C      2.95327248     -1.29929106     -0.83013342
+C      3.48985856     -0.67280052     -2.09149205
+C      3.37719583      0.65874167     -1.99063279
+O      2.81289255      1.12317534     -0.83450196
+H      0.46372224     -0.12698149     -1.00085443
+H      0.51914142      0.87828486      0.47223127
+H      0.50907809     -0.90203357      0.60539913
+H      4.13121610      0.12295941      1.25811049
+H      2.76448877     -0.76784573      1.97965331
+H      2.68986802      1.00753405      1.82531484
+H      2.15194352     -2.03219414     -1.02262681
+H      3.73866411     -1.82697924     -0.26086291
+H      3.91989400     -1.20982751     -2.93225799
+H      3.67293965      1.43739307     -2.69259813 
+
+17
+-1746.7256973796711 11.179776 11.97796 -9.2946 -7.0497 -9.132 0.9126 -0.0145 1.326 8.62221 -0.70853 6.241517233 6.241517233 0.34662551
+C      1.14300428      0.15762275     -0.34372599
+C      2.54132418     -0.07253882      0.23380629
+C      3.17624774     -1.38932868     -0.24321467
+C      3.74022499     -1.24791185     -1.63106893
+C      3.97261018     -0.04486191     -2.17178082
+C      3.70780077      1.22510562     -1.42049305
+O      3.43377886      1.03088398     -0.03252093
+H      0.77094356      1.14974172     -0.05293881
+H      0.44591725     -0.59746303      0.04741998
+H      1.13491433      0.08350275     -1.44073098
+H      2.47129259     -0.07874842      1.33288896
+H      2.42417272     -2.19569085     -0.21668469
+H      3.97471383     -1.69161617      0.45652271
+H      3.95891676     -2.15776346     -2.19587381
+H      4.35984482      0.05302291     -3.18958513
+H      4.59406447      1.88008261     -1.45301834
+H      2.88384866      1.78850085     -1.90979180 
+
+17
+-1755.502912216797 11.461092 12.57372 -7.9592 -5.9062 -8.588 0.9436 0.0578 1.416 8.08881 -0.79641 5.7242848368 5.7242848368 0.259243928
+C      0.92914566     -0.06584852      0.04809385
+C      2.42797723      0.02655251     -0.18342464
+C      3.05909820     -1.24832665     -0.80933426
+C      3.55442478     -0.73983703     -2.13804795
+C      3.31286538      0.57813884     -2.23414009
+C      3.60189212      1.54853471     -3.32521443
+O      2.69026660      1.12356681     -1.13094503
+H      0.52751821      0.89121563      0.40793483
+H      0.71070997     -0.83860855      0.80004136
+H      0.41373154     -0.33402335     -0.88592184
+H      2.93948188      0.31118952      0.74960334
+H      2.30737657     -2.05054228     -0.91264766
+H      3.87103565     -1.65206427     -0.18163184
+H      4.03352597     -1.34463385     -2.90313335
+H      4.23981919      2.36674110     -2.95780907
+H      2.67077702      2.00320432     -3.69624392
+H      4.10927403      1.04930105     -4.15868931 
+
+17
+-1746.289155229896 11.616372 12.7071 -9.3377 -7.103 -9.305 1.2874 -0.1579 1.293 8.68056 -0.64983 6.3720868896 6.3720868896 0.420941474
+C      0.96966486     -0.04289694      0.09898693
+C      2.48482380     -0.02998364      0.10149246
+C      3.15073370      1.21802218      0.70469724
+C      4.47210846      0.68079108      1.20937319
+C      5.55411243      1.37784382      1.56957448
+C      4.33883438     -0.83283908      1.20788850
+O      2.96101758     -1.11091506      0.93163323
+H      0.59198953     -0.99938906     -0.28603533
+H      0.58102424      0.76283457     -0.53927484
+H      0.58482628      0.09830960      1.11939169
+H      2.86488744     -0.17892453     -0.93207144
+H      2.54130981      1.58237379      1.54978268
+H      3.26803138      2.04170069     -0.01315089
+H      6.45804498      0.88203389      1.92946382
+H      5.57448254      2.46772064      1.52021064
+H      4.98822279     -1.27526417      0.42502574
+H      4.59318581     -1.29740781      2.17178191 
+
+17
+-1752.3260090104577 11.43601 12.46851 -7.8469 -5.8287 -8.572 0.9057 0.0105 1.396 8.11647 -0.7829 5.689965512 5.689965512 0.248842409
+C      0.98623778      0.04504161      0.18006189
+C      2.47756056     -0.00889494     -0.10878092
+C      2.92419101     -1.26351939     -0.90223482
+C      3.33029350     -0.68945368     -2.24266671
+C      3.75740738     -1.51573036     -3.40929474
+C      3.25048346      0.64693691     -2.15573880
+O      2.83208951      1.15268575     -0.94871451
+H      0.71381456      0.99890132      0.65138799
+H      0.70248549     -0.77250227      0.85934308
+H      0.41271165     -0.06171962     -0.75243261
+H      3.05175995      0.11267922      0.82234539
+H      2.10003260     -1.99343936     -0.99208193
+H      3.76414120     -1.78993841     -0.41553837
+H      4.02729563     -0.88711529     -4.26898211
+H      2.95913941     -2.20498398     -3.73369598
+H      4.63191838     -2.14193631     -3.16255246
+H      3.47610791      1.40221882     -2.90795440 
+
+19
+-1878.2992698537657 11.664686 13.08639 -9.1018 -7.0949 -11.231 0.9088 0.0135 2.851 10.5066 -2.54387 9.0603885374 9.9669617708 0.117478919
+C      1.06008175     -0.10346447      0.36171182
+C      2.51281042      0.10432352     -0.00917434
+C      3.31150977      1.21334794      0.70139601
+C      4.30916021      0.09070590      1.08550333
+C      4.54107243     -0.13514233      2.57100896
+C      5.61343852      0.10395167      0.29594889
+O      3.38968321     -0.93056290      0.53987837
+H      0.69303956     -1.05733116     -0.04364514
+H      0.44046696      0.70550274     -0.05468907
+H      0.93312195     -0.11940930      1.45371208
+H      2.61894046      0.14023644     -1.11028100
+H      2.78605550      1.64877323      1.56295653
+H      3.70893222      2.01718034      0.06824308
+H      3.58642049     -0.16658652      3.11306445
+H      5.16001020      0.67093997      2.99358513
+H      5.06222195     -1.09006131      2.73477501
+H      5.42078899      0.24251819     -0.77705029
+H      6.14628448     -0.84897308      0.42844678
+H      6.26946092      0.91831115      0.63958941 
+
+17
+-1754.028620154336 11.346191 12.27518 -8.3446 -6.2592 -8.971 0.9444 0.0094 1.307 8.51225 -0.73964 6.0102461472 6.0102461472 0.279248174
+C      0.99264342     -0.08241170      0.44957365
+C      2.39347817      0.00348993     -0.12927832
+C      2.65172997      1.27182285     -0.94313359
+C      4.08877606      1.28402345     -1.48047488
+C      4.44108012     -0.07769397     -2.01245935
+C      3.68124197     -1.15611540     -1.75872842
+O      2.57552433     -1.18477941     -0.95021611
+H      0.82684061      0.73587970      1.16399699
+H      0.84925548     -1.03622711      0.97488870
+H      0.23960258     -0.00881526     -0.34834342
+H      3.14372804     -0.05903137      0.68304093
+H      2.45288728      2.15285876     -0.31425836
+H      1.93505997      1.29635599     -1.78091463
+H      4.79381844      1.59311080     -0.68763492
+H      4.18572604      2.03923775     -2.27784897
+H      5.30826105     -0.20278830     -2.66137578
+H      3.87269647     -2.14072671     -2.18906354 
+
+17
+-1754.1767933050899 11.745779 12.72506 -8.2762 -6.2049 -9.016 0.8744 -0.0267 1.412 8.43851 -0.81567 6.1981965246 6.1981965246 0.413656439
+C      1.03761523     -0.08799983      0.05759810
+C      2.54705222      0.05139128      0.06126416
+C      3.11611768      1.23344181      0.85167209
+C      4.50832503      0.71768693      1.23722658
+C      4.27690643     -0.77101753      1.37678981
+C      5.01535634     -1.67351368      2.03789645
+O      3.12667545     -1.12421205      0.70143308
+H      0.73154027     -1.00029435     -0.47146345
+H      0.58031080      0.77290817     -0.45062190
+H      0.65323841     -0.13512900      1.08660976
+H      2.92514567      0.07902833     -0.97934892
+H      2.50353534      1.40447167      1.75120826
+H      3.13542163      2.15965449      0.26229062
+H      5.23077047      0.90841227      0.42607657
+H      4.91240675      1.16104733      2.15579375
+H      4.74420084     -2.72777797      2.04680855
+H      5.90462146     -1.35510784      2.57705649 
+
+19
+-1891.9531200173963 11.635389 13.04396 -9.0484 -7.0043 -11.153 0.951 0.0507 3.073 10.44899 -2.84948 8.995742237 10.9795678314 0.216912795
+C      1.03625531     -0.09028644      0.05466840
+C      2.54558529      0.08134898      0.02272066
+C      3.10688646      1.21273239      0.89021663
+C      4.52800484      0.71885146      1.17180755
+C      4.32228992     -0.79300116      1.33853062
+C      5.50606335     -1.65937179      0.93883575
+O      3.17516920     -1.12563922      0.51559483
+H      0.73605861     -0.96497477     -0.53837652
+H      0.53921565      0.79595719     -0.36652646
+H      0.68615041     -0.23596313      1.08724311
+H      2.86958846      0.23583263     -1.02729368
+H      2.52888460      1.29059775      1.82595227
+H      3.07179488      2.18706992      0.38329302
+H      5.18363135      0.91714304      0.30776078
+H      4.98691951      1.17699118      2.05879356
+H      4.05261442     -1.01233079      2.39097587
+H      5.79156027     -1.46385684     -0.10554120
+H      5.25417192     -2.72447741      1.03425411
+H      6.37158552     -1.45220299      1.58591071 
+
+19
+-1888.2350159964994 11.380886 12.53952 -9.2727 -7.168 -11.301 0.9103 -0.0114 2.915 10.66543 -2.65434 9.200691095 10.432615991 0.135190818
+C      0.96223658      0.06360093      0.12766340
+C      2.48881322      0.00052476     -0.00693265
+C      2.99094062     -1.36539049     -0.52160787
+C      2.70093041     -1.54376270     -2.01913366
+C      3.20226259     -0.33179445     -2.80315538
+O      2.65150477      0.89240523     -2.30425355
+C      3.02318567      1.10012607     -0.93746644
+H      0.64770537      1.02204055      0.56719558
+H      0.58830964     -0.74241746      0.77638703
+H      0.46779185     -0.02668719     -0.84963618
+H      2.93242576      0.17853475      0.98915496
+H      2.53989413     -2.18358308      0.06238612
+H      4.08192059     -1.42561732     -0.36059183
+H      3.18857880     -2.45489422     -2.40180466
+H      1.61928691     -1.66150741     -2.19226006
+H      4.31144303     -0.28263898     -2.75484645
+H      2.90873958     -0.38386065     -3.86142252
+H      4.12998993      1.14801280     -0.86014170
+H      2.61703055      2.08537886     -0.66348414 
+
+17
+-1745.5455069633801 11.577003 12.34475 -9.3743 -7.2651 -9.339 1.0672 -0.1996 1.341 8.70821 -0.70505 6.4633157884 6.4633157884 0.420264501
+C      1.00748752      0.05840383      0.09924173
+C      2.34175848     -0.02001258      0.01642806
+C      3.11701271     -1.31306767     -0.01431277
+C      4.12470687     -1.29918996     -1.17906598
+C      4.93766755     -0.00623488     -1.15763458
+O      4.09855016      1.15050365     -1.21203471
+C      3.21671721      1.20582183     -0.07918707
+H      0.49464627      1.02270181      0.10281478
+H      0.38512252     -0.83605964      0.17486360
+H      2.43888217     -2.17641305     -0.08093458
+H      3.67987998     -1.41163379      0.93308863
+H      4.80259276     -2.16520555     -1.11583324
+H      3.58480857     -1.36510021     -2.13696261
+H      5.56671080      0.03123537     -0.24281649
+H      5.60145351      0.06500908     -2.03105662
+H      3.82278975      1.30359516      0.84764393
+H      2.61837317      2.11886660     -0.19969208 
+
+15
+-1626.5922390689582 11.063921 11.80532 -9.1618 -7.112 -9.661 0.7433 -0.9425 0.259 9.615 0.53823 3.7385002636 6.3972064532 0.403353912
+C      1.01362191     -0.00736933     -0.00283206
+C      2.35063058     -0.00589883      0.02359297
+C      3.23926880      1.22551989      0.06894607
+C      4.45752658      0.84738911     -0.79213396
+C      4.54091737     -0.68151904     -0.72876569
+O      5.46774119     -1.36118206     -1.12494219
+C      3.25220070     -1.21010979     -0.08297321
+H      0.44261593     -0.93565523     -0.06105207
+H      0.44658109      0.92478275      0.03846087
+H      3.56404648      1.40433328      1.10911045
+H      2.71700262      2.12953406     -0.27079933
+H      4.29433295      1.10989759     -1.85109422
+H      5.41021865      1.30240691     -0.49117692
+H      2.83955968     -2.06158795     -0.64017528
+H      3.53457547     -1.58885136      0.91719457 
+
+17
+-1749.0871648296036 11.494344 12.37194 -9.0409 -6.8294 -8.825 0.9411 -0.0031 1.387 8.2613 -0.71554 6.0172761534 6.0172761534 0.352345569
+C      0.98349631     -0.06015014      0.11381611
+C      2.47242925      0.06703831     -0.03297294
+C      3.14251565      1.22259354      0.10418394
+C      4.64196372      1.29516441      0.00499788
+C      5.24440172     -0.10336839      0.11974022
+O      4.57186837     -1.02515958     -0.74374380
+C      3.21464226     -1.20949858     -0.35015456
+H      0.72109632     -0.78985255      0.89793930
+H      0.51872206     -0.41988210     -0.81893442
+H      0.52355469      0.90106984      0.37954578
+H      2.59216796      2.14757135      0.30367901
+H      4.94536167      1.76248428     -0.94867870
+H      5.04782286      1.93551894      0.80671737
+H      6.29973983     -0.12005401     -0.18633633
+H      5.18069749     -0.45549029      1.16938962
+H      3.15757034     -1.89552987      0.52479707
+H      2.72819950     -1.72742516     -1.19355556 
+
+17
+-1750.048065600768 11.624682 12.50264 -8.6656 -6.4239 -8.439 0.8072 -0.1008 1.418 7.91443 -0.72023 5.6727810524 5.6727810524 0.321312751
+C      0.95112747      0.13700013     -0.11029984
+C      2.43599397     -0.00430782     -0.02602370
+C      3.19499505     -1.11430379     -0.04093514
+C      2.78646399     -2.54730964     -0.14797753
+C      4.64444846     -0.72586247      0.07246046
+O      4.67179472      0.70755091      0.15644713
+C      3.32548582      1.20343057      0.09660754
+H      0.44819607     -0.83270209     -0.21538707
+H      0.66065518      0.76312308     -0.96975897
+H      0.54814469      0.63100464      0.78899432
+H      3.23114945     -3.02103786     -1.03829701
+H      1.69721006     -2.66327301     -0.21381024
+H      3.13550675     -3.12526373      0.72325225
+H      5.12310443     -1.15963976      0.97367111
+H      5.23526846     -1.05897481     -0.80475079
+H      3.21849625      1.88813411     -0.76949099
+H      3.10568918      1.79335155      1.00940847 
+
+15
+-1612.178289093174 11.586141 11.80595 -7.8033 -5.7562 -7.915 0.8672 -0.6696 0.437 7.54026 0.15079 4.2354485502 6.8750732944 0.256800686
+C      0.94319222      0.00661328      0.16182298
+C      2.42789259      0.08881256     -0.00207140
+C      3.16088229      1.22301672      0.04628048
+C      4.60889623      1.15336307     -0.05905610
+C      5.20914894     -0.04657190      0.11065258
+O      4.51130596     -1.20931000      0.26687281
+C      3.18055539     -1.18256938     -0.31455673
+H      0.66959712     -0.63536584      1.01614948
+H      0.46276532     -0.43725469     -0.72779819
+H      0.50265606      0.99938713      0.32341196
+H      2.68341662      2.18874200      0.22852027
+H      5.21807147      2.05090294     -0.14934750
+H      6.28269547     -0.19470487      0.23413988
+H      2.67625731     -2.06981485      0.09286292
+H      3.28635702     -1.31771617     -1.41296345 
+
+15
+-1616.37332027016 12.418784 12.40228 -7.9284 -5.9383 -8.052 0.8431 -0.6366 0.41 7.52288 0.16403 4.7870250684 4.7870250684 0.60614031
+C      0.95852489      0.05574615      0.00329575
+C      2.44581289     -0.03990003      0.03514146
+C      3.23937026     -1.12966692      0.01279474
+C      4.63542483     -0.72257136      0.06307036
+C      5.75137917     -1.47811600      0.06237243
+O      4.68356120      0.66261696      0.11700044
+C      3.33572794      1.17041732      0.10322148
+H      0.49375355     -0.93659912     -0.05191189
+H      0.61598730      0.64405964     -0.86346652
+H      0.57342062      0.56561889      0.90138326
+H      2.91924417     -2.16889933     -0.03475201
+H      6.74085502     -1.02835434      0.10462185
+H      5.66379744     -2.56081569      0.01921626
+H      3.21258778      1.83973161     -0.76882515
+H      3.16875295      1.77180222      1.01648754 
+
+15
+-1631.2616374445347 10.964142 11.8182 -9.3498 -7.1374 -9.264 1.0818 -0.7166 0.332 9.5645 0.43563 3.7289285444 5.9199223462 0.297557686
+C      0.97827911      0.01552876      0.06839026
+C      2.47022235     -0.01270551     -0.01284783
+C      3.25923446     -1.10292163     -0.07113258
+C      4.72185339     -0.77028136     -0.14524304
+C      4.73953916      0.76604157     -0.12866981
+O      5.72929435      1.46989733     -0.17910173
+C      3.28747939      1.25561193     -0.03868726
+H      0.55390221     -0.99744631      0.06852316
+H      0.54586050      0.57083174     -0.77993488
+H      0.64106330      0.53087720      0.98264870
+H      2.88320340     -2.12782123     -0.06573337
+H      5.31634327     -1.15548439      0.70114264
+H      5.22365672     -1.13634070     -1.05745016
+H      3.05842944      1.91112654     -0.89691444
+H      3.15847895      1.88152606      0.86162034 
+
+17
+-1756.4053330263557 11.434947 12.32239 -8.9611 -6.8479 -8.8 0.846 -0.0762 1.329 8.23884 -0.65645 5.8807427702 5.8807427702 0.314137883
+C      0.97804654      0.02441939      0.01248190
+C      2.47234745     -0.01471529     -0.02581294
+C      3.26409468     -1.10098345     -0.10446096
+C      4.72823851     -0.74118514     -0.06704823
+C      4.72350237      0.77969992     -0.36626658
+O      4.95831011      1.04601313     -1.75814597
+C      3.31411369      1.24235427      0.07277232
+H      0.54217445     -0.98127804     -0.05703356
+H      0.57513283      0.63393500     -0.81301228
+H      0.61877228      0.48984925      0.94521536
+H      2.89928117     -2.12925157     -0.15084793
+H      5.16285080     -0.94982514      0.92788945
+H      5.34938602     -1.27773941     -0.80128778
+H      5.52751356      1.31630505      0.15554508
+H      4.27167917      0.56576984     -2.25795484
+H      2.95847903      2.06945605     -0.56258983
+H      3.32005734      1.61976612      1.11216677 
+
+19
+-1886.2119996792183 11.39867 12.56991 -9.3064 -7.1118 -11.335 0.8691 -0.0623 2.759 10.65796 -2.43932 9.1870402364 10.7997137398 0.151312426
+C      0.94610453     -0.01539754      0.02119413
+C      2.47513028      0.01775966     -0.03551899
+C      2.96236534      0.12140287     -1.49037959
+C      3.08412777      1.14656926      0.83184444
+C      4.47968003      0.61684832      1.20086306
+O      4.45972122     -0.81283712      0.98133576
+C      3.11840212     -1.19715013      0.65750729
+H      0.58652160     -0.09543322      1.05830764
+H      0.54647148     -0.87154392     -0.54401901
+H      0.51556526      0.89761066     -0.41696894
+H      4.05954573      0.08399494     -1.54784292
+H      2.62558880      1.06272921     -1.95068008
+H      2.56625809     -0.70898233     -2.09461600
+H      2.47218415      1.28643982      1.73643367
+H      3.12478894      2.10883295      0.30146526
+H      5.27385644      1.04222440      0.56508993
+H      4.73712217      0.82391595      2.25359011
+H      3.17312404     -2.08983497      0.01553458
+H      2.55286199     -1.45775881      1.57576966 
+
+17
+-1751.9318989529577 11.149529 12.28515 -9.1805 -7.1232 -10.51 1.0277 -0.7555 0.327 9.63932 0.45102 3.7497209966 8.1824188742 0.119520989
+C      0.90897432     -0.02380965      0.17275185
+C      2.42181183     -0.00519337     -0.02831087
+C      2.79213346      0.02405809     -1.51232699
+C      3.18871037      1.09430644      0.79161973
+C      4.08883855     -0.01231175      1.35200564
+O      5.12770195     -0.01265686      1.97387664
+C      3.21065669     -1.11670630      0.75370845
+H      0.64673139     -0.04462937      1.24140502
+H      0.45843620     -0.90912452     -0.30219300
+H      0.44054108      0.86791204     -0.27194023
+H      3.88340200      0.03694052     -1.65487224
+H      2.37851902      0.91877338     -2.00248860
+H      2.39549002     -0.86084049     -2.03335572
+H      2.58193883      1.55823731      1.58574299
+H      3.69869112      1.89090384      0.23039545
+H      3.73608647     -1.88340752      0.16573081
+H      2.61344670     -1.61943179      1.53130106 
+
+19
+-1877.784755602688 11.633357 12.90916 -9.806 -7.6075 -11.588 0.8414 -0.0994 2.671 11.21959 -2.38902 9.4015732122 10.7328852858 0.122654234
+C      1.05669712     -0.02367055      0.43213854
+C      2.45192634     -0.00337900     -0.20127125
+C      2.35294292      0.01802185     -1.72375967
+C      3.37750122      1.07982211      0.44608189
+C      3.94478447     -0.01476943      1.38551702
+O      5.32120371     -0.00898889      1.73441999
+C      3.39460397     -1.09027784      0.41439273
+H      1.10200974     -0.03966122      1.53107723
+H      0.49437304     -0.91335669      0.10781391
+H      0.48040002      0.86630202      0.13421131
+H      3.35010303      0.03342078     -2.18875405
+H      1.80416985      0.90751464     -2.07212659
+H      1.81951127     -0.87025929     -2.09809131
+H      2.90609169      1.96298573      0.90130597
+H      4.14890220      1.41558259     -0.26628036
+H      3.41148336     -0.03303911      2.34697103
+H      5.83387401      0.00745826      0.90596692
+H      4.17107292     -1.39280331     -0.30730416
+H      2.93732912     -1.99373264      0.84347086 
+
+19
+-1878.4192313978194 11.681829 13.10196 -9.6328 -7.4655 -11.31 0.8688 -0.0843 2.759 10.96695 -2.5137 9.070629781 13.473682606 0.226289599
+C      0.93531592     -0.01457813      0.10403405
+C      2.45338436      0.01126006      0.02680981
+C      3.22859730      1.08045731      0.85164167
+C      4.29487706      0.00005264      1.21615933
+C      4.82915979     -0.03818273      2.63387765
+O      5.45198589      0.04615312      0.36148973
+C      3.26212422     -1.08611281      0.77954076
+H      0.52083311     -0.88800611     -0.42242334
+H      0.49497042      0.88720644     -0.34840406
+H      0.59786078     -0.06317275      1.15163626
+H      2.76088181      0.05147604     -1.03240783
+H      2.65441049      1.39504976      1.73736676
+H      3.60307518      1.97487834      0.33337100
+H      4.00608097     -0.07345096      3.35983888
+H      5.43811516      0.85515963      2.83518446
+H      5.46394754     -0.92459136      2.77785548
+H      5.14688419      0.06742533     -0.56226102
+H      3.66353663     -1.93244014      0.20378641
+H      2.69866918     -1.47632367      1.64176398 
+
+19
+-1873.8042761240695 11.636282 13.04493 -10.0434 -7.741 -11.702 0.8964 -0.0524 2.863 11.48626 -2.63008 9.7480024948 9.835065464 0.091119926
+C      0.89045971      0.00668058      0.09877408
+C      2.40835636      0.02791102      0.02353394
+C      3.18284172      1.06656369      0.88587423
+C      4.22547551     -0.03476678      1.24676641
+C      5.50362495      0.02069481      0.42005714
+O      6.35936397      1.11317159      0.77668300
+C      3.20951603     -1.09966311      0.73788993
+H      0.47370924     -0.84956403     -0.45368577
+H      0.45447991      0.92285031     -0.32865818
+H      0.55066523     -0.07072137      1.14381502
+H      2.72559857      0.10242818     -1.02928315
+H      2.59817207      1.38041821      1.76379760
+H      3.54731642      1.97426371      0.37656235
+H      4.49671578     -0.09645262      2.31122788
+H      5.25913165      0.05048654     -0.66091647
+H      6.10174019     -0.88720400      0.59517051
+H      5.84544295      1.93236697      0.66182000
+H      3.60833832     -1.91350179      0.11295557
+H      2.63475143     -1.54408191      1.56439591 
+
+17
+-1770.4401785242908 11.025658 12.20639 -9.0589 -7.0302 -10.504 1.1038 -0.6412 0.352 9.56376 0.41377 3.7403600536 10.922050726 0.120746611
+C      0.97299713      0.01077675     -0.08126667
+C      2.49246340     -0.01322388      0.05138829
+C      3.07335821      1.13491702      0.91073960
+C      4.49792949      0.67868372      1.24824602
+C      4.41871290     -0.85116049      1.29554998
+O      5.28388843     -1.59765533      1.71504995
+C      3.06348307     -1.27287711      0.72375834
+H      0.60922947     -0.81566359     -0.70914013
+H      0.62728802      0.95192292     -0.53465136
+H      0.49423492     -0.08197797      0.90666417
+H      2.93739084      0.06471195     -0.95802050
+H      2.47884381      1.23030803      1.83591812
+H      3.03256495      2.10479567      0.39525681
+H      5.20390293      0.93566513      0.43921806
+H      4.92182173      1.07787031      2.17923820
+H      3.16133278     -2.15622916      0.07844564
+H      2.43248792     -1.56928395      1.58246548 
+
+19
+-1893.2899895339747 11.49692 12.79087 -9.799 -7.6036 -11.891 0.8837 -0.066 2.882 11.34353 -2.61529 9.5817992618 10.188921508 0.123612823
+C      0.95791597      0.02237504     -0.06084833
+C      2.48019987      0.01107637      0.05244007
+C      3.07126431      1.13071957      0.93111276
+C      4.50925831      0.66440805      1.17576434
+C      4.39420764     -0.86214502      1.39243547
+O      5.55273578     -1.59703232      0.97665420
+C      3.06694028     -1.27192179      0.68422323
+H      0.59379351     -0.80265748     -0.69105065
+H      0.59487173      0.96348253     -0.50099682
+H      0.49358062     -0.08567914      0.93249394
+H      2.90537844      0.12951240     -0.96186452
+H      2.51655073      1.18200626      1.88504573
+H      3.00748939      2.12384728      0.46220818
+H      5.11367480      0.84332012      0.26824282
+H      5.01770930      1.17218519      2.00675185
+H      4.32440660     -1.08374803      2.46806715
+H      5.71322106     -1.38529654      0.03909256
+H      3.25224475     -2.06989186     -0.04989931
+H      2.35807690     -1.68210065      1.42201733 
+
+13
+-1439.4589856642958 10.102127 10.8591 -7.7732 -5.7368 -7.969 0.8732 -0.0754 0.535 7.61243 0.03649 4.2827616078 6.847560801 0.438421885
+C      1.01480596     -0.08199980     -0.00696030
+C      2.48565581      0.10928688      0.00087173
+C      3.31713829      1.19105517      0.00384251
+C      4.67461444      0.71066439      0.01083256
+C      4.56907907     -0.64908198      0.01167212
+O      5.51115255     -1.61979373      0.01754116
+O      3.26493577     -1.05440683      0.00571010
+H      0.52346818      0.89885881     -0.00258093
+H      0.66817270     -0.64046117      0.87688502
+H      0.67554947     -0.62884066     -0.90095602
+H      2.99873629      2.22957727      0.00127674
+H      5.59289201      1.28616153      0.01486131
+H      5.05535946     -2.48185988      0.01675399 
+
+13
+-1447.8080561713236 9.997896 10.59979 -9.3237 -7.2567 -9.759 1.1886 -0.4526 0.087 10.33884 0.5945 4.3600544802 6.359179947 0.381138269
+C      1.06458081     -0.09069232      0.12817016
+C      2.37613350      0.05129419     -0.06841900
+C      3.23778918      1.29405788     -0.02630309
+C      4.50691901      0.86094120     -0.76456825
+C      4.45577443     -0.65875439     -0.73860794
+O      5.31124947     -1.46056357     -1.01080477
+O      3.17731112     -1.05722403     -0.35200057
+H      0.58760938     -1.06730374      0.07613474
+H      0.45549005      0.78214367      0.35406672
+H      3.46460337      1.54785991      1.02089469
+H      2.72884898      2.15491547     -0.47606538
+H      4.50567042      1.16846348     -1.82151763
+H      5.44662028      1.20912225     -0.32123968 
+
+13
+-1450.6369554911832 9.727943 10.61667 -9.1725 -7.0473 -9.468 1.2812 -0.5073 0.148 10.32016 0.48905 4.366724927 11.68010113 0.298025573
+C      1.03042081      0.08012873     -0.01963712
+C      2.50033366     -0.10889171     -0.07469444
+C      3.28056977     -1.19913622     -0.02271959
+C      4.70927077     -0.76829671     -0.12568142
+C      4.59872132      0.74775294     -0.24556834
+O      5.45513520      1.58681559     -0.35617262
+O      3.23819065      1.08132126     -0.20744071
+H      0.52777325     -0.88862223      0.08340914
+H      0.66725484      0.57493352     -0.93257602
+H      0.75194631      0.71863613      0.83181358
+H      2.92505912     -2.22055937      0.07778667
+H      5.32629751     -1.01567658      0.75289867
+H      5.24406678     -1.16100536     -1.00515781 
+
+15
+-1578.5816444210507 9.883785 11.07284 -10.0897 -8.0111 -11.35 0.6794 -0.2703 0.182 10.36637 0.46989 4.3763090448 11.57347317 0.168790304
+C      0.99902941     -0.10441267      0.19741647
+C      2.46999813      0.09962079     -0.11068408
+C      2.78730698      0.12635383     -1.59360968
+C      3.20809507      1.14193004      0.76012047
+C      3.94417114     -0.06125468      1.33692343
+O      4.79775429     -0.27011815      2.15714112
+O      3.28032135     -0.98867563      0.55769330
+H      0.82784701     -0.16123207      1.28073409
+H      0.63527548     -1.03502316     -0.25997962
+H      0.40856269      0.73072871     -0.20646151
+H      3.86729752      0.23086123     -1.76322202
+H      2.27430519      0.97136401     -2.07524578
+H      2.44912188     -0.80110352     -2.07630791
+H      2.59462318      1.68129010      1.49270810
+H      3.85705067      1.84705117      0.22574361 
+
+17
+-1678.2586862875346 10.482446 11.87011 -9.3856 -7.239 -11.37 0.8455 -0.1789 2.8 10.79632 -2.53688 9.1239933554 12.1697342426 0.103664186
+C      0.95300574     -0.09992439      0.24923905
+C      2.39398192      0.15685412     -0.13336425
+C      3.19596886      1.18474751      0.69552298
+C      4.12989706      0.00316181      1.03102142
+C      5.54226512      0.05240967      0.46191673
+O      6.39489413      0.92330929      1.21308298
+O      3.28829424     -0.93015348      0.28539351
+H      0.57801224     -1.00224895     -0.25418507
+H      0.32154523      0.74875211     -0.05488492
+H      0.85477209     -0.24237446      1.33492255
+H      2.47755256      0.30897367     -1.22473439
+H      2.64795336      1.60140543      1.55041916
+H      3.65153025      2.00412766      0.12090357
+H      4.17858266     -0.26420772      2.10069461
+H      5.50623447      0.33372691     -0.60715174
+H      5.99168335     -0.94904878      0.52856187
+H      6.08819671      1.83626961      1.07184193 
+
+15
+-1590.2981133727324 9.853801 10.96843 -9.8932 -7.825 -11.268 0.778 -0.2216 0.253 10.2198 0.397 4.353706397 12.4860349272 0.159273969
+C      1.01543812     -0.06172013      0.05963745
+C      2.52500762      0.05901601      0.03095092
+C      3.11805655      1.22620718      0.83600653
+C      4.48135000      0.68070799      1.25690396
+C      4.26166013     -0.82760010      1.31459652
+O      4.94338766     -1.66952143      1.85019830
+O      3.11251493     -1.14183935      0.62762748
+H      0.68073097     -0.94742043     -0.49572314
+H      0.56235355      0.82661338     -0.40341730
+H      0.65431998     -0.13957578      1.09482057
+H      2.88327539      0.09520673     -1.01386485
+H      2.49109160      1.41756890      1.72106218
+H      3.16517690      2.14975802      0.24446573
+H      5.26027562      0.87399858      0.50175499
+H      4.85808097      1.04410043      2.21966068 
+
+17
+-1727.6895061212656 11.482559 12.45954 -9.4021 -7.2917 -9.412 1.1427 0.0272 1.388 8.86096 -0.80675 6.619054603 6.619054603 0.448768875
+C      0.81434725      0.23818710      0.47800196
+C      2.24244836      0.16351679     -0.05298004
+C      3.28736878      1.03837591      0.70759069
+C      3.92674534     -0.30021523      1.10700640
+O      2.90574374     -1.06623632      0.40465671
+C      2.28099452      0.31076386     -1.54960334
+C      2.81020573     -0.58347379     -2.38995440
+H      0.80815686      0.15036195      1.57315340
+H      0.21326196     -0.57908463      0.05537667
+H      0.34578917      1.19334595      0.19724534
+H      2.86776904      1.62621306      1.53407402
+H      3.90091456      1.68259841      0.06694528
+H      4.93020489     -0.48885197      0.69136920
+H      3.93043413     -0.52990176      2.18511860
+H      1.82650549      1.23212295     -1.93325742
+H      3.25638303     -1.50351722     -2.00810416
+H      2.80374715     -0.41994507     -3.46808892 
+
+15
+-1568.6409567810426 11.105165 12.26806 -9.5734 -7.4883 -9.801 0.9126 0.0478 2.215 9.36102 -1.79342 4.35004881 10.4379225918 0.366326604
+C      0.98335180     -0.08406900      0.20956972
+C      2.47458988      0.06382771     -0.06668118
+C      3.24065717      1.14593468      0.75608225
+C      4.08722800     -0.02367967      1.27911027
+O      3.24777851     -1.00494854      0.60016808
+C      2.75342661      0.10081708     -1.50201739
+C      2.97960047      0.13864509     -2.69447329
+H      0.80776632     -0.11043066      1.29320777
+H      0.61034119     -1.01655490     -0.23476623
+H      0.42817837      0.75703563     -0.22921792
+H      2.60760566      1.62981081      1.51031830
+H      3.76425252      1.90381815      0.16366456
+H      5.12206594     -0.05075600      0.89982621
+H      4.09050073     -0.18438038      2.36832060
+H      3.18787681      0.16302001     -3.74464177 
+
+17
+-1728.6465365363335 11.594717 12.72517 -9.3831 -7.2034 -9.457 1.154 -0.0262 1.364 8.93453 -0.79546 6.6380368596 6.6380368596 0.445227522
+C      0.89573487     -0.12381405      0.23366740
+C      2.26414471      0.45898647     -0.04494198
+C      3.01196422      1.15095935      1.11388088
+C      4.10930549      0.07988958      0.87288271
+O      3.30310332     -0.57348846     -0.15027144
+C      5.43604447      0.57524110      0.38870452
+C      5.89270087      0.43231209     -0.85966602
+H      0.58203446     -0.77998498     -0.59085096
+H      0.15210091      0.68208495      0.33037882
+H      0.90153539     -0.71217079      1.16274858
+H      2.24445972      1.06094740     -0.97159699
+H      2.50611730      1.07375866      2.08506238
+H      3.32136817      2.18751933      0.93449349
+H      4.26323590     -0.59751255      1.73442082
+H      6.04352698      1.07757750      1.15093549
+H      5.29043619     -0.08082377     -1.61139773
+H      6.87122702      0.81285817     -1.15347997 
+
+15
+-1569.5222460826865 11.263035 12.60367 -9.605 -7.4977 -9.863 0.9797 -0.0115 2.236 9.45426 -1.79033 4.3752427652 10.4459320874 0.324310982
+C      0.91837335     -0.05122198      0.23034922
+C      2.37944697      0.14780147     -0.10118810
+C      3.20473777      1.14117209      0.74201535
+C      4.13628264     -0.06571983      1.02986087
+O      3.21466137     -0.97709143      0.34481284
+C      5.46111371     -0.01862891      0.42819394
+C      6.57081402      0.02879767     -0.06271020
+H      0.52471097     -0.93723959     -0.28784183
+H      0.33257974      0.82174784     -0.09561878
+H      0.77603354     -0.18912757      1.31181664
+H      2.51287273      0.29720716     -1.18791859
+H      2.68362699      1.50653424      1.63615258
+H      3.66581037      1.97757252      0.20572377
+H      4.22685373     -0.33997648      2.09475704
+H      7.54560210      0.06518282     -0.50453475 
+
+15
+-1545.0931554417903 9.881598 10.929 -9.4506 -7.2793 -10.856 0.7228 -1.213 -0.069 10.07892 0.72821 3.693604933 8.0104750894 0.150918709
+C      1.03003416     -0.18438980      0.20401763
+C      2.50350523      0.03152575     -0.07203203
+C      3.22740141      1.16646926      0.71778480
+C      4.07655522      0.03504736      1.31880887
+O      3.35826999     -0.98054365      0.55581633
+C      2.81669967      0.11578065     -1.56394726
+O      2.06075043      0.55732716     -2.40733437
+H      0.83159425     -0.14648719      1.28272789
+H      0.71468544     -1.16551106     -0.17751790
+H      0.43819139      0.58653242     -0.30806590
+H      2.56844594      1.69831876      1.41458304
+H      3.77326671      1.89639454      0.10643486
+H      5.14649787      0.05550650      1.05620518
+H      3.97042430     -0.12742275      2.40321730
+H      3.84308799     -0.25650794     -1.82137844 
+
+15
+-1545.583757869676 9.972903 11.20093 -9.4501 -7.273 -10.982 0.8286 -1.1801 -0.148 10.21421 0.7925 3.6634639364 8.0621400556 0.114891907
+C      0.96850299     -0.09181313      0.19939795
+C      2.43889610      0.09171299     -0.09311525
+C      3.22183774      1.16146206      0.70058450
+C      4.12135080     -0.00779430      1.13288153
+O      3.26344939     -0.98829371      0.48521623
+C      5.52349067     -0.04050359      0.55186308
+O      6.24761122      0.93197968      0.45474542
+H      0.59690175     -1.01840801     -0.26047925
+H      0.39348519      0.74975068     -0.21568228
+H      0.78774642     -0.14298149      1.28258451
+H      2.61590229      0.14345982     -1.18235794
+H      2.64841075      1.61384065      1.51881209
+H      3.72878947      1.94401970      0.12345578
+H      4.20243955     -0.18814987      2.22252947
+H      5.84198567     -1.05802147      0.20656415 
+
+15
+-1629.8093719838737 11.216906 12.06403 -8.0009 -6.079 -7.945 0.8927 0.0171 0.644 7.43466 -0.05726 4.3662537802 6.6180255192 0.429003538
+C      0.94938781     -0.12924641     -0.00369859
+C      2.42368282      0.05489063     -0.00458205
+C      3.23652736      1.16266921     -0.00108482
+C      2.81299930      2.60364739      0.00462457
+C      4.58530302      0.66201981     -0.00426476
+C      4.50221103     -0.69938501     -0.00943979
+O      3.18870639     -1.09385091     -0.00969288
+H      0.45185719      0.84838591      0.00983298
+H      0.61225448     -0.69597687      0.87804958
+H      0.60755936     -0.67356535     -0.89777284
+H      3.68998849      3.26401150      0.01243098
+H      2.20866865      2.85124518      0.89040629
+H      2.21720503      2.86091263     -0.88420501
+H      5.49787120      1.25185194     -0.00266622
+H      5.23484787     -1.49863965     -0.01297744 
+
+19
+-1889.4762356375677 11.524227 12.86656 -9.2046 -7.0577 -11.262 0.9406 0.0471 2.909 10.56512 -2.61555 9.094249114 11.4286823192 0.108134412
+C      0.99955939     -0.01276115     -0.08434115
+C      2.52181992      0.05255937     -0.01175818
+C      3.07494243      1.15192364      0.90910635
+C      4.49661502      0.66323027      1.21778326
+O      4.51447422     -0.76082981      0.97391887
+C      3.19381607     -1.19290077      0.58670946
+C      3.32444331     -2.38916144     -0.33905696
+H      0.65996552     -0.83006406     -0.73757161
+H      0.58013867      0.92253994     -0.48247760
+H      0.56575460     -0.17583168      0.91504870
+H      2.93437777      0.19624482     -1.02741763
+H      2.46905169      1.20069742      1.82871288
+H      3.06226842      2.14851042      0.44598765
+H      5.24615532      1.13074660      0.55629352
+H      4.79122338      0.85904351      2.26259673
+H      2.62804192     -1.49354369      1.49660633
+H      3.86725015     -2.10975354     -1.25403356
+H      2.33216822     -2.77327401     -0.61692354
+H      3.87569399     -3.20042585      0.15542649 
+
+15
+-1608.6041525150092 11.813907 12.06416 -8.2204 -6.2285 -8.614 0.4416 -1.076 0.301 8.03577 0.19705 5.0454118924 6.731013961 0.431880981
+C      1.00348589      0.00694884      0.15748894
+C      2.33912188      0.04017766      0.03802031
+C      3.21363739      1.27497303     -0.02128518
+C      4.44097224      0.75037908     -0.76926064
+O      4.51748963     -0.65853385     -0.44091346
+C      3.25420292     -1.11310275     -0.10627791
+C      3.01033945     -2.42381573      0.07022492
+H      0.45476446     -0.93551699      0.16726883
+H      0.42199712      0.92457245      0.25057143
+H      3.49288373      1.58510774      0.99899885
+H      2.73050755      2.12325051     -0.52216533
+H      4.32346426      0.85569714     -1.86168791
+H      5.38972353      1.20784674     -0.46187881
+H      2.02632464     -2.75689792      0.39071776
+H      3.79042532     -3.16556596     -0.08741181 
+
+15
+-1616.1230770964507 11.98696 12.08175 -8.0461 -6.0362 -8.192 0.8091 -0.6821 0.377 7.6682 0.14368 4.8821223304 4.8821223304 0.55948159
+C      0.97510863      0.02378013      0.05720857
+C      2.46722744     -0.04417652      0.04875345
+C      3.26133555     -1.12543066     -0.08599245
+C      4.69322291     -0.70474616     -0.03384013
+O      4.65401246      0.72734907      0.14417361
+C      3.33233522      1.13277700      0.19528079
+C      2.98407968      2.42426597      0.35684672
+H      0.53049847     -0.97194310     -0.06275092
+H      0.60816936      0.66760657     -0.75652951
+H      0.60842509      0.45588859      1.00065088
+H      2.94092095     -2.15826961     -0.21434019
+H      5.24952830     -1.15098646      0.81077165
+H      5.24960393     -0.93071381     -0.96189109
+H      3.73542516      3.20479731      0.45432061
+H      1.93298684      2.69931169      0.39156802 
+
+15
+-1609.6086401867212 11.403081 11.85189 -8.1612 -6.1185 -8.693 1.087 -0.2487 1.118 8.31644 -0.50796 5.6163426252 5.6163426252 0.210368731
+C      0.90135809     -0.09290281     -0.08154728
+C      2.43632722     -0.01425775      0.00168935
+C      3.14837419     -1.23438145     -0.53846873
+C      3.95285519     -0.84953941     -1.53409283
+O      3.93384798      0.51433002     -1.78515201
+C      3.03739119      1.08326366     -0.87148900
+C      2.81670354      2.40215814     -0.86781736
+H      0.44400098      0.84367741      0.26724326
+H      0.52263464     -0.91277956      0.54550286
+H      0.57970412     -0.26905782     -1.11711825
+H      2.71762025      0.16291025      1.05600015
+H      3.01423312     -2.25097485     -0.18030261
+H      4.62090591     -1.41239680     -2.18137350
+H      3.32291754      3.05943814     -1.57237432
+H      2.12250601      2.83752283     -0.15226975 
+
+17
+-1752.5964451411355 11.1743 12.50118 -9.0634 -7.0274 -10.387 1.0193 -0.6918 0.364 9.55313 0.42553 3.7529198354 10.673148831 0.092445749
+C      0.91719842      0.01162091      0.07740675
+C      2.43732920      0.01614475      0.04840559
+C      3.18717667      1.09529946      0.89266253
+C      4.12754762     -0.02162833      1.36307878
+O      5.24016100     -0.03734146      1.84175569
+C      3.19065433     -1.11769732      0.82700187
+C      3.79154636     -2.30896780      0.09876407
+H      0.50933662     -0.86862853     -0.44177915
+H      0.50315301      0.90649869     -0.41047846
+H      0.54570912     -0.00726674      1.11416631
+H      2.80189675      0.04273665     -0.99141368
+H      2.57704948      1.47841862      1.72693889
+H      3.65533362      1.94500670      0.37774585
+H      2.55638109     -1.45602793      1.66830930
+H      4.43358437     -1.97877801     -0.73090432
+H      3.00745993     -2.96085830     -0.31308689
+H      4.40971240     -2.90928137      0.78062688 
+
+19
+-1875.9693872236182 11.5997 13.00281 -9.6343 -7.4563 -11.371 0.9068 -0.0495 2.772 11.05603 -2.5315 9.25245525 10.8427492804 0.10790955
+C      0.91718307     -0.01867881      0.05386991
+C      2.43705943      0.00514537      0.03718863
+C      3.18661829      1.07555190      0.88253866
+C      4.24669086      0.00667858      1.26272984
+O      5.46061791      0.06867417      0.51235256
+C      3.22174746     -1.09278321      0.82013485
+C      3.71134683     -2.33859883      0.10236659
+H      0.52164811     -0.90308899     -0.46886996
+H      0.49411578      0.87198352     -0.43564313
+H      0.53978676     -0.04283370      1.08870068
+H      2.79134577      0.03359040     -1.00946096
+H      2.59361971      1.38750195      1.75647422
+H      3.56514826      1.97552386      0.37593882
+H      4.57049433     -0.02630465      2.31235336
+H      5.23334965      0.20813953     -0.42434171
+H      2.62985485     -1.37776796      1.70811002
+H      4.35934131     -2.08520081     -0.75015636
+H      2.86532354     -2.92858073     -0.28141408
+H      4.29490805     -2.98522159      0.77426807 
+
+17
+-1751.240558497215 11.55323 12.44421 -8.3161 -6.2469 -9.018 0.8901 -0.0663 1.397 8.43556 -0.78967 6.193224686 6.193224686 0.391979372
+C      0.94187241      0.03303070     -0.01631775
+C      2.46724733      0.04036258      0.02956966
+C      3.09217663      1.16956742      0.86965877
+C      4.46752169      0.59564297      1.19231144
+O      4.26548709     -0.83441486      1.31111173
+C      3.10434587     -1.18964439      0.65249624
+C      2.67808673     -2.46018932      0.62268570
+H      0.56427608     -0.79761271     -0.62872324
+H      0.56108492      0.96706189     -0.45390333
+H      0.52341549     -0.07371088      0.99516913
+H      2.85520087      0.12560517     -1.00354237
+H      2.50995970      1.31350236      1.79398867
+H      3.14391331      2.12863023      0.33705157
+H      5.19246614      0.78650357      0.38112897
+H      4.89522533      0.94703007      2.14099851
+H      1.75380962     -2.71433281      0.10960914
+H      3.24368079     -3.25564199      1.10456716 
+
+13
+-1436.8046947339974 10.003069 10.69333 -7.8425 -5.8321 -8.079 0.9245 -0.0663 0.475 7.62247 0.06804 4.32649147 6.6499519142 0.437715515
+C      0.86817495     -0.02619233     -0.00588531
+C      2.36473492     -0.00420543     -0.00299668
+C      3.17937719      1.09495657     -0.00375106
+O      2.87756551      2.41560972     -0.00696528
+O      4.50365268      0.76179417     -0.00087794
+C      4.54519563     -0.62760794      0.00186031
+C      3.27706592     -1.12270463      0.00061321
+H      0.46316773      0.99385530      0.00184001
+H      0.47026492     -0.55126992      0.87613453
+H      0.47298876     -0.53659124     -0.89778097
+H      3.71317900      2.91717323     -0.00510911
+H      5.53650970     -1.06324383      0.00463089
+H      3.00489311     -2.17476366      0.00228740 
+
+11
+-1304.8295688719136 10.038719 9.85504 -8.9954 -6.9986 -9.137 -0.6486 -2.3461 -1.049 8.76461 1.57365 4.0875456508 4.2995989066 0.304848245
+C      0.99621818      0.02876590     -0.11235766
+C      2.33249031     -0.08754785      0.02434187
+C      3.19771377     -1.23994016      0.17512462
+C      4.45930150     -0.77005107      0.27058346
+O      4.55948218      0.60877170      0.20061159
+C      3.24269728      1.10723311      0.04357299
+O      3.02077259      2.28740548     -0.04626997
+H      0.54540997      1.01630331     -0.21361104
+H      0.34327968     -0.84374001     -0.12563801
+H      2.89996599     -2.28319802      0.20647323
+H      5.40734856     -1.28670239      0.39268893 
+
+13
+-1443.3645886361192 9.838057 10.39995 -9.9783 -7.9487 -10.289 0.0684 -1.6485 -0.632 9.76294 1.15865 4.0999318522 5.5293292504 0.344339029
+C      1.02198524     -0.04774401      0.19143176
+C      2.33815479      0.07323307     -0.01542481
+C      3.21346414      1.29410404     -0.04952031
+C      4.47674840      0.77518811     -0.76041833
+O      4.46799489     -0.67043978     -0.62289195
+C      3.20949880     -1.11687110     -0.27678101
+O      2.93784247     -2.29447694     -0.21005934
+H      0.56834550     -1.04018132      0.18501444
+H      0.37937427      0.81509512      0.36985282
+H      3.45473422      1.61551336      0.97613588
+H      2.75896892      2.14608559     -0.57148565
+H      4.46923023      1.00988756     -1.83584873
+H      5.41291812      1.13887629     -0.31978476 
+
+13
+-1451.5257084173038 9.790671 10.43481 -10.1092 -7.9645 -9.947 0.3574 -1.3246 -0.609 9.4722 1.13153 4.1532086364 5.2545018828 0.364196598
+C      0.97447278      0.04114095      0.01333865
+C      2.45999838     -0.06792151      0.00710180
+C      3.26664114     -1.14060714     -0.05451801
+C      4.69351282     -0.69864603     -0.02821741
+O      4.65213599      0.73564391      0.05425571
+C      3.32394690      1.14466644      0.07697309
+O      3.00549462      2.31144413      0.14390736
+H      0.49605689     -0.94327814     -0.05377131
+H      0.63274214      0.66313150     -0.82681743
+H      0.63114412      0.54349618      0.92957241
+H      2.97152364     -2.18782028     -0.11480289
+H      5.24671700     -1.08518974      0.84429581
+H      5.24808358     -0.98274028     -0.93837778 
+
+17
+-1678.568608583772 10.583183 11.9135 -9.2423 -7.0406 -10.821 0.7482 -0.2404 2.97 10.51144 -2.63341 8.4455171662 10.5090285628 0.23929328
+C      0.79489852      0.12420956     -0.16518279
+C      2.28074268      0.00409771      0.11528043
+C      2.64654383     -0.10150601      1.58353093
+C      3.14309239     -0.76342210     -0.87009982
+O      2.50176933     -1.41221308     -1.94838577
+C      3.22287760      0.75004248     -0.81230730
+O      4.34361718      1.39293774     -0.24169415
+H      0.58315445      0.14055585     -1.24152234
+H      0.39527560      1.04429695      0.28793721
+H      0.25103188     -0.73068341      0.26542739
+H      3.73307021     -0.13488268      1.73189029
+H      2.20177804     -1.00785803      2.02243853
+H      2.26410786      0.76857834      2.13944469
+H      3.98915562     -1.30720516     -0.42994061
+H      3.11168684     -1.40493516     -2.70661069
+H      2.74048750      1.28951350     -1.63784141
+H      5.06596048      1.36957350     -0.89343457 
+
+15
+-1573.374412518023 9.796098 10.88323 -10.0426 -7.9647 -11.131 0.7324 -0.2026 0.216 10.27425 0.4621 4.363749263 13.1568115858 0.119270431
+C      0.87317578     -0.02194718      0.12548421
+C      2.39156287      0.04149933     -0.04347234
+C      2.81518210      0.03827492     -1.51274494
+C      3.12783558      1.05102905      0.86673262
+O      3.78287262     -0.05547639      1.60201486
+C      3.14366884     -0.99762148      0.80966500
+O      3.23618490     -2.19319461      0.87526655
+H      0.58178408     -0.01728902      1.18507101
+H      0.47894036     -0.94068671     -0.33047149
+H      0.39652647      0.83729417     -0.36919351
+H      3.90772194      0.08596737     -1.62076983
+H      2.37643888      0.89855463     -2.03964397
+H      2.46537898     -0.87917224     -2.00603852
+H      2.49957138      1.63793916      1.54947066
+H      3.88431522      1.68134902      0.38117968 
+
+13
+-1444.2373598443105 9.521096 10.20963 -9.4225 -7.2851 -9.81 0.8986 -0.7805 0.123 10.3168 0.52598 4.3652618922 12.4103042784 0.266897496
+C      0.94557234      0.01357521     -0.06041907
+C      2.47890563     -0.05901889      0.01843510
+C      3.11966123     -1.27414597     -0.58931577
+C      3.97840648     -0.86714122     -1.52989240
+O      4.04360429      0.51796334     -1.68317085
+C      3.14057381      1.08004516     -0.76539521
+O      2.97617207      2.26992277     -0.68738548
+H      0.59671586      0.99054141      0.29892209
+H      0.49377113     -0.77186010      0.55960094
+H      0.60195532     -0.12192270     -1.09480804
+H      2.78433794      0.06724929      1.07305200
+H      2.92031199     -2.30557396     -0.31277255
+H      4.63444191     -1.42139434     -2.19574075 
+
+15
+-1557.9330088118797 10.051418 11.1798 -9.4947 -7.4279 -10.654 0.81 -0.9958 -0.029 9.78871 0.7496 3.6934933456 7.3206045868 0.092147914
+C      0.91165972      0.01211961      0.07144988
+C      2.42960675      0.06116764      0.04656340
+C      3.17653706      1.08152870      0.96726463
+C      4.20818028     -0.03003678      1.17676834
+O      5.41931896     -0.05477737      1.25386420
+C      3.21441516     -1.11028460      0.75350184
+O      3.68115066     -2.23143286      0.05028672
+H      0.53883574     -0.84363281     -0.50975810
+H      0.47407125      0.92600226     -0.35604089
+H      0.53935110     -0.08936584      1.10268095
+H      2.81055037      0.15542385     -0.98226370
+H      2.61150348      1.30618422      1.88506434
+H      3.55387953      2.01403265      0.53093480
+H      2.61547293     -1.44645852      1.62154968
+H      4.62864701     -2.07769015     -0.13242608 
+
+17
+-1685.9278083371973 10.476113 11.74685 -9.535 -7.3187 -11.199 0.841 -0.1731 2.689 10.90576 -2.47303 9.015579997 13.5659157914 0.095742664
+C      0.84537088     -0.02415100      0.06629770
+C      2.36231000     -0.01790935      0.00450155
+C      3.17021943      1.03667521      0.81896522
+C      4.23374460     -0.04781560      1.12645405
+O      5.25105775     -0.15174959      0.11908828
+C      3.15815716     -1.11489591      0.77779694
+O      3.57480378     -2.29636665      0.13272530
+H      0.43530455     -0.91234705     -0.43732204
+H      0.41585000      0.86413791     -0.42150084
+H      0.49256167     -0.03571846      1.10999927
+H      2.70967194     -0.01113428     -1.04073459
+H      2.64180938      1.34785542      1.73343814
+H      3.52211153      1.93143904      0.28665460
+H      4.68065258     -0.07306830      2.13449752
+H      5.84957129      0.60793406      0.20776176
+H      2.60683820     -1.41359387      1.68462536
+H      4.32560525     -2.03646157     -0.43682824 
+
+15
+-1556.2917227525747 9.982207 11.07011 -9.4074 -7.3494 -10.555 0.6588 -1.1013 -0.017 9.74132 0.75171 3.6588764544 11.9322142624 0.080742202
+C      0.91812938     -0.07603228      0.49070631
+C      2.28071528      0.09186752     -0.18378676
+C      3.23000647      1.16318365      0.44928979
+C      3.99040547      0.03205809      1.23535215
+O      5.38657162      0.03599405      1.38620239
+C      3.36578323     -0.92576820      0.21742676
+O      3.81851043     -1.91943337     -0.31272529
+H      0.40469976     -0.97260850      0.11655044
+H      0.27956181      0.79415104      0.28210336
+H      1.01155982     -0.16942466      1.58233361
+H      2.16409854      0.15483645     -1.27578351
+H      2.75857837      1.93571009      1.06909225
+H      3.88579515      1.62644125     -0.29895473
+H      3.52425882     -0.08784459      2.22918336
+H      5.75077584     -0.54731057      0.69240987 
+
+15
+-1587.5884877216217 9.728119 10.8091 -9.898 -7.8329 -11.207 0.902 -0.3053 0.244 10.20396 0.4143 4.3497884394 11.7351385154 0.130731451
+C      0.95419737     -0.02100193      0.02256037
+C      2.47662411      0.06424455      0.03239680
+C      3.10395488      1.19502477      0.85541388
+C      4.47385865      0.61437129      1.21605043
+O      4.27923648     -0.82338531      1.30367892
+C      3.13993649     -1.18487587      0.62223450
+O      2.78141826     -2.33595550      0.53641352
+H      0.62705050     -0.93538494     -0.48926935
+H      0.51553120      0.84518603     -0.49113026
+H      0.55906674     -0.04952076      1.04848802
+H      2.84539110      0.12069658     -1.00940374
+H      2.50956542      1.36418972      1.76737059
+H      3.18225388      2.14770057      0.31553748
+H      5.22820034      0.81026024      0.43661554
+H      4.86474458      0.95023058      2.18447330 
+
+19
+-1887.612849601521 11.343098 12.50245 -9.2252 -7.1356 -11.277 0.9156 -0.0195 2.898 10.66941 -2.62983 9.2087005906 10.4964315852 0.186361114
+C      0.95739406      0.03730908      0.19324893
+C      2.48261834      0.01298811      0.01593199
+C      2.99201323     -1.32518707     -0.56064141
+C      2.71338284     -1.44373130     -2.05942539
+O      3.27443008     -0.35020684     -2.79439206
+C      2.71566211      0.89513308     -2.36121457
+C      2.99407806      1.16022830     -0.88123855
+H      0.63109624      0.98987434      0.63724379
+H      0.62869994     -0.77357876      0.86062175
+H      0.41894405     -0.08242722     -0.75824422
+H      2.92920470      0.14170538      1.01698087
+H      2.53117689     -2.17602422     -0.03148387
+H      4.08153523     -1.39627807     -0.40761555
+H      3.17401328     -2.35154316     -2.47497908
+H      1.62232666     -1.50041034     -2.25450092
+H      3.17838576      1.66686598     -2.99312591
+H      1.62476727      0.90279060     -2.56501600
+H      4.08372147      1.26613579     -0.75083950
+H      2.53472978      2.11827633     -0.58555030 
+
+17
+-1747.083728397471 11.589546 12.33195 -9.0712 -6.9489 -9.212 1.1147 -0.143 1.358 8.5721 -0.72275 6.381249455 6.381249455 0.428449719
+C      0.98402451      0.02294974      0.09768003
+C      2.32389607      0.00852060      0.04567294
+C      3.14027087     -1.25841926     -0.00339636
+C      4.12628069     -1.20521851     -1.18229151
+O      4.94471938     -0.03507483     -1.13448052
+C      4.15100024      1.15021601     -1.21495326
+C      3.16597740      1.25663574     -0.03881776
+H      0.42509214      0.96114609      0.11309516
+H      0.40615318     -0.90289374      0.13958943
+H      2.49365703     -2.14485554     -0.09177782
+H      3.72771241     -1.35778644      0.92639314
+H      4.81724319     -2.05969440     -1.16014498
+H      3.56529083     -1.23177379     -2.13871943
+H      4.85978660      1.99026405     -1.21561063
+H      3.59099534      1.16235045     -2.17225341
+H      3.75494797      1.37047061      0.88833480
+H      2.53753214      2.15314321     -0.15293979 
+
+13
+-1479.7687251962627 11.943877 11.24671 -7.6699 -5.7496 -7.897 0.8736 -0.6201 0.007 7.41958 0.62287 4.4009574616 11.0026540246 0.66172539
+C      0.85637070      0.00193491     -0.13566337
+C      2.20457917      0.00731930      0.02730072
+C      3.00488809      1.22402647      0.12382993
+C      4.34001425      1.18190168      0.29194488
+O      5.07045599      0.01808770      0.38729948
+C      4.34862202     -1.15122365      0.29359235
+C      3.01385945     -1.20333160      0.12556385
+H      0.29983803     -0.93276673     -0.20214991
+H      0.29246147      0.93210878     -0.20353893
+H      2.52372464      2.20051393      0.05804737
+H      4.98671473      2.05393242      0.37060283
+H      5.00171254     -2.01836509      0.37347826
+H      2.53979893     -2.18337813      0.06115255 
+
+13
+-1492.9682652382878 11.807269 11.27791 -9.1837 -7.2567 -9.225 -0.522 -2.1228 -1.097 8.67826 1.63708 3.4501088276 4.4521140852 0.621645045
+C      1.00648896      0.02205832     -0.20443885
+C      2.33397359     -0.00921560      0.02052608
+C      3.22928956     -1.22339623      0.11580652
+C      4.62724355     -0.64261581      0.39397079
+O      5.65737847     -1.28477366      0.54976278
+C      4.47509442      0.82863121      0.43461112
+C      3.17684678      1.16482055      0.22247790
+H      0.42618321     -0.89032717     -0.34684050
+H      0.46792213      0.97035216     -0.25019393
+H      3.25046116     -1.81122272     -0.81391177
+H      2.94006524     -1.90726017      0.92724799
+H      5.30998861      1.50413709      0.61307068
+H      2.77690433      2.18028204      0.19985119 
+
+15
+-1613.3926841559407 11.95407 11.83216 -8.0314 -6.0566 -8.302 0.8384 -0.6583 0.249 7.8088 0.29286 4.8977941608 4.8977941608 0.625182213
+C      0.85166128     -0.01542073     -0.24821492
+C      2.17995273     -0.00359178     -0.00965510
+C      2.93912139      1.26024412      0.34097167
+C      4.34908518      1.20123465     -0.23389904
+O      5.07879851      0.03349496      0.22075759
+C      4.35484746     -1.11945346      0.17072161
+C      3.01255357     -1.19456098      0.00527781
+H      0.26390727      0.90354834     -0.23342158
+H      0.32193050     -0.94705118     -0.45446642
+H      2.42482096      2.15543434     -0.03811951
+H      3.00235763      1.35442456      1.43858398
+H      4.96043441      2.05956917      0.07227568
+H      4.31132006      1.15822445     -1.33654133
+H      4.99691658     -1.99473047      0.28104127
+H      2.55532247     -2.18179601     -0.06863172 
+
+17
+-1749.1528387479739 11.502099 12.38691 -9.0205 -6.8027 -8.813 0.9177 0.0094 1.389 8.25067 -0.71779 6.0089690914 6.0089690914 0.349781625
+C      0.93885063      0.00059799     -0.09134416
+C      2.43724971      0.01809292      0.00590034
+C      3.16858975      1.13868888     -0.10676558
+C      4.66314022      1.15887073      0.04508280
+O      5.20397941     -0.05066358      0.57551764
+C      4.62646309     -1.19535155     -0.05735119
+C      3.13299387     -1.30179347      0.24583024
+H      0.60237304     -0.64495325     -0.91962762
+H      0.52908897      1.00751960     -0.24901799
+H      0.49062692     -0.41191134      0.82771602
+H      2.68587319      2.09941386     -0.31216615
+H      5.14140802      1.39189548     -0.93234601
+H      4.96754102      1.95282884      0.74620951
+H      5.18092745     -2.06353270      0.32557524
+H      4.78363901     -1.14014770     -1.15365537
+H      2.97608825     -1.62579611      1.29019726
+H      2.68428746     -2.08417861     -0.39178498 
+
+17
+-1754.518544122261 11.577961 12.60326 -7.7946 -5.7152 -8.301 0.8894 0.0002 1.441 7.80494 -0.78684 5.4935344922 11.5754321488 0.245163791
+C      0.93217825      0.12652616      0.19159333
+C      2.40749038      0.05029094     -0.02111903
+C      3.18181544     -1.03772936     -0.19982371
+C      2.85566160     -2.48850791     -0.25366644
+O      4.53575450     -0.76244258     -0.32740242
+C      4.65200789      0.68760693     -0.43178513
+C      3.30697973      1.26930668      0.03525518
+H      0.45718560     -0.86283313      0.14573823
+H      0.44540587      0.76439279     -0.56595256
+H      0.68973514      0.56710874      1.17457308
+H      3.40198087     -3.03257571      0.53227896
+H      3.15686192     -2.92241312     -1.21937135
+H      1.78166747     -2.65705375     -0.11149146
+H      4.85073435      0.92787335     -1.48931678
+H      5.51424764      0.99496619      0.17375348
+H      2.96629671      2.08548868     -0.62175392
+H      3.35472662      1.68034510      1.06100053 
+
+15
+-1637.3380472849014 11.317598 11.80627 -8.8557 -6.9596 -9.76 0.3091 -1.2724 -0.397 9.03216 1.05327 3.5818687498 5.2132021462 0.450470928
+C      1.00066011      0.01724190      0.11160292
+C      2.48535072     -0.02145898     -0.02240273
+C      3.27152725     -1.11844343     -0.11012990
+C      4.69216205     -0.74408373     -0.22969731
+O      5.65356909     -1.49702703     -0.32503871
+C      4.75579079      0.79352268     -0.21223617
+C      3.29726480      1.25584707     -0.07459413
+H      0.56094472     -0.98735299      0.13712879
+H      0.55083497      0.57598171     -0.72509085
+H      0.70902471      0.55134119      1.03046293
+H      2.93772527     -2.15590326     -0.09692207
+H      5.23757336      1.14296692     -1.13632535
+H      5.39547910      1.11684570      0.62106083
+H      2.96605234      1.88394392     -0.91877000
+H      3.12269072      1.85593834      0.83437175 
+
+13
+-1484.9353178226295 10.959503 11.29164 -9.0914 -6.9835 -9.09 -1.026 -2.7621 -1.514 8.54374 1.81679 2.861100936 6.4785660664 0.858022449
+C      0.98618601      0.03437756      0.00440530
+C      2.47087960     -0.06409816      0.00248884
+C      3.25327922     -1.16503989      0.00060101
+C      4.68241425     -0.71681485     -0.00000814
+O      5.68336788     -1.41888859     -0.00116742
+C      4.64717495      0.79901930      0.00173279
+C      3.35448484      1.16220753      0.00311446
+H      0.50915649     -0.95302325     -0.00054056
+H      0.63389532      0.59982482     -0.87384948
+H      0.63582908      0.58973526      0.88991322
+H      2.95000077     -2.20887309     -0.00029487
+H      5.53779676      1.42179843      0.00159341
+H      2.95558483      2.17717494      0.00445144 
+
+17
+-1756.5988581647352 11.525982 12.35544 -9.1864 -7.0464 -8.957 0.9058 -0.1853 1.279 8.36763 -0.60584 5.9804275142 5.9804275142 0.317138816
+C      0.99066724      0.02870339      0.06180207
+C      2.48326906      0.01033658     -0.02636607
+C      3.28322233     -1.07048330     -0.09660679
+C      4.74495738     -0.71106747     -0.06681823
+O      5.36385273     -1.10999586      1.18051877
+C      4.73680656      0.82209358     -0.30671714
+C      3.29176110      1.29111387     -0.02340339
+H      0.56884446     -0.98479770      0.07377800
+H      0.55255968      0.57606262     -0.78855753
+H      0.65770587      0.55289554      0.97273756
+H      2.94003263     -2.10703489     -0.08994204
+H      5.34085144     -1.23672421     -0.82869474
+H      4.73161719     -0.88642892      1.88842196
+H      4.99627855      1.02637750     -1.35607955
+H      5.49397801      1.31192162      0.32006308
+H      2.92809865      2.00065155     -0.78480800
+H      3.18570712      1.81032610      0.94619205 
+
+15
+-1612.68023138657 11.328684 11.92766 -8.4564 -6.3756 -8.411 0.4111 -1.1281 0.439 7.87235 0.08132 4.5037170584 6.9997040216 0.565237302
+C      0.93690501      0.05682794      0.05925328
+C      2.42911925     -0.01360674     -0.00885742
+C      3.21662362     -1.11190003     -0.08806204
+C      4.67165600     -0.69811233     -0.06693850
+O      5.51827712     -1.28577285     -1.06406728
+C      4.59751398      0.81601530     -0.06271974
+C      3.30293440      1.18797941      0.00620358
+H      0.48187015     -0.93935213     -0.01213854
+H      0.53489319      0.68054177     -0.75535868
+H      0.60535689      0.51864012      1.00287356
+H      2.89475209     -2.15196336     -0.11732036
+H      5.11238530     -1.01925047      0.89793036
+H      5.14248967     -1.03557256     -1.92809294
+H      5.47862995      1.45489746     -0.07799948
+H      2.92431340      2.20978846      0.06620422 
+
+15
+-1611.9225660146813 11.472156 11.8314 -7.9326 -5.8966 -8.06 0.8489 -0.6975 0.407 7.60073 0.14275 4.3057610108 6.6645946608 0.335461637
+C      0.91822924     -0.04785970     -0.03162559
+C      2.41374908      0.06549685      0.06124540
+C      3.09842919      1.20037208     -0.20711340
+C      4.58696764      1.18925240     -0.02338947
+O      5.17939563     -0.07651821     -0.44695287
+C      4.50343603     -1.16104210      0.01717659
+C      3.19415385     -1.13291547      0.36158092
+H      0.62125839     -0.79264217     -0.78656432
+H      0.45803416      0.91382277     -0.29347864
+H      0.49553793     -0.38173279      0.92936159
+H      2.60382336      2.11626654     -0.53557902
+H      5.09426161      1.95544920     -0.62284778
+H      4.86691761      1.33144912      1.04185906
+H      5.11372986     -2.06570202     -0.00852888
+H      2.71324642     -2.04924651      0.70217641 
+
+17
+-1747.2062258798398 11.316455 12.06773 -8.2989 -6.2153 -8.879 0.9028 0.004 1.268 8.4428 -0.6926 5.8332685308 5.8332685308 0.234534713
+C      0.94906669      0.01496586     -0.00860958
+C      2.49146783      0.02532075     -0.04670824
+C      2.98200317      0.15022537     -1.49777529
+C      3.08798990     -1.23139121      0.64890966
+O      3.51268050     -0.83515578      1.99026053
+C      3.54266225      0.53873138      1.97299968
+C      3.03862036      1.10848620      0.87131573
+H      0.58475458     -0.11811385      1.01983250
+H      0.54613941     -0.80062496     -0.63036656
+H      0.54305298      0.96318436     -0.39178636
+H      4.07940211      0.19182726     -1.54139008
+H      2.58751716      1.06524959     -1.96433444
+H      2.64233455     -0.70359727     -2.10511190
+H      3.98354113     -1.59533967      0.11803119
+H      2.36960764     -2.05534967      0.75879840
+H      3.95923919      0.98855167      2.87279962
+H      2.94809056      2.17647997      0.68943513 
+
+19
+-1872.4270174322248 11.570381 12.8939 -9.8216 -7.5539 -11.025 0.8957 -0.0159 2.777 10.67568 -2.43962 8.7357063992 10.5399134754 0.19373158
+C      0.78242844      0.37279450     -0.46221189
+C      2.21210337      0.09269225     -0.03339620
+C      2.47925648      0.14452770      1.46753319
+C      1.69048177     -0.87603921      2.29069878
+O      2.00223055     -2.23514920      1.96285803
+C      3.01811222     -0.89457163     -0.86765261
+C      3.31153525      0.58834865     -0.94413165
+H      0.68895723      0.34737456     -1.55713070
+H      0.45912903      1.36925424     -0.12134430
+H      0.07453566     -0.36543509     -0.05452373
+H      2.23162842      1.15428295      1.84247889
+H      3.55517924     -0.01022542      1.65127507
+H      0.60338479     -0.69188067      2.18936283
+H      1.93809187     -0.76374131      3.35672359
+H      1.94199789     -2.31106757      0.99393073
+H      2.53078626     -1.36076088     -1.72595635
+H      3.75178355     -1.52430748     -0.36157483
+H      4.23444012      0.94788095     -0.48610532
+H      3.01928785      1.11832264     -1.85185352 
+
+15
+-1611.796416329318 11.129701 11.56357 -8.2817 -6.19 -8.595 1.5833 -0.0399 1.042 8.33568 -0.72231 5.0795948326 6.8403324172 0.556950257
+C      0.89264642     -0.00084881     -0.19756818
+C      2.43154307      0.00032808     -0.07620119
+C      2.94027151      1.23050434      0.63652868
+C      3.64579557      1.18355493      1.77259876
+O      4.02766923      0.02407516      2.42095878
+C      3.64607702     -1.14752549      1.79461122
+C      2.94044992     -1.21603640      0.65971027
+H      0.54379305     -0.89749757     -0.73174581
+H      0.54413412      0.88239093     -0.75385435
+H      0.42739837      0.01157483      0.79838826
+H      2.83114202     -0.00953319     -1.11058910
+H      2.71049667      2.21460061      0.22407161
+H      4.00637458      2.05905918      2.31106506
+H      4.00696270     -2.01264414      2.34941013
+H      2.71090576     -2.20776246      0.26581586 
+
+15
+-1632.0038490870838 11.074828 11.577 -9.0275 -7.0975 -10.1 0.164 -1.494 -0.511 9.20433 1.11258 3.5514797812 5.441559561 0.428544929
+C      0.96610142      0.03704111     -0.23850340
+C      2.47187442     -0.01347476      0.06030296
+C      2.94824820     -1.31087343      0.74571409
+C      3.68472773     -0.87019889      2.02154440
+O      4.24944216     -1.60733343      2.81802099
+C      3.57420356      0.60541986      2.09304081
+C      2.91081748      1.07046657      1.01789313
+H      0.68490660     -0.74899428     -0.95336925
+H      0.67685944      1.00599567     -0.67144104
+H      0.38153052     -0.11188890      0.68163457
+H      3.01041941      0.13387546     -0.89399579
+H      3.62079997     -1.91922063      0.12502467
+H      2.10711485     -1.95923949      1.03473639
+H      3.98993355      1.18738306      2.91454555
+H      2.68921070      2.12258206      0.82176192 
+
+17
+-1752.6479325963212 11.423555 12.19393 -9.5016 -7.3333 -9.309 1.0374 -0.2809 1.187 8.77075 -0.55395 6.2089957052 6.2089957052 0.320660305
+C      1.07911654      0.07519301     -0.41306822
+C      2.50408692     -0.05561672      0.13864334
+C      2.74773166     -1.36205787      0.93842869
+C      3.62570415     -0.98203897      2.15645129
+O      5.02449526     -1.32184080      2.01236057
+C      3.43415237      0.51300066      2.25562096
+C      2.87203850      1.01347205      1.14470629
+H      0.85176912     -0.74371984     -1.11126672
+H      0.94329353      1.02351938     -0.95399566
+H      0.34169958      0.04092686      0.40359237
+H      3.19993652      0.01174937     -0.71998725
+H      3.21814387     -2.16189211      0.35022422
+H      1.77902358     -1.74250284      1.30029902
+H      3.32013033     -1.52222674      3.06532686
+H      5.40170946     -0.69560671      1.36736720
+H      3.80003566      1.09234042      3.10475769
+H      2.69933294      2.07556086      0.95347937 
+
+17
+-1750.947228347787 11.309715 12.05891 -8.3675 -6.3377 -8.954 0.9125 -0.0083 1.289 8.49075 -0.71604 5.9924541562 5.9924541562 0.279635532
+C      0.90669278      0.07764553     -0.14741142
+C      2.40977763     -0.02983331      0.15954967
+C      3.19531064      1.23127340     -0.25288064
+C      3.56265353      1.17449416     -1.73056765
+O      4.40623616      0.04192934     -2.03467345
+C      3.98401748     -1.12403028     -1.45420520
+C      3.05535563     -1.22909805     -0.48764970
+H      0.45164354      0.90960556      0.41251061
+H      0.38049589     -0.84717097      0.13115842
+H      0.72943502      0.24410281     -1.22055635
+H      2.51036869     -0.14468482      1.25413588
+H      2.60942926      2.14323244     -0.05786593
+H      4.12341075      1.30320580      0.33570701
+H      4.13430965      2.05616847     -2.04877344
+H      2.65536063      1.09776350     -2.35662716
+H      4.51231890     -1.98151670     -1.87465509
+H      2.79811382     -2.22888689     -0.13461555 
+
+13
+-1434.6586735861183 10.079527 10.82571 -8.022 -5.9845 -8.143 0.8306 -0.122 0.467 7.66675 0.09353 4.3905054418 6.512302657 0.43084907
+C      0.98373267     -0.03839726     -0.00734164
+C      2.46225896      0.10638882      0.00117350
+C      3.30010003      1.19223018      0.00486239
+C      4.63643727      0.67062467      0.01207488
+O      5.82071881      1.36317362      0.01792729
+C      4.53273815     -0.69367999      0.01239592
+O      3.19777657     -1.04952410      0.00569906
+H      0.51242058      0.95167430     -0.00022580
+H      0.63033276     -0.59495024      0.87390337
+H      0.63827755     -0.57824505     -0.90213071
+H      2.99770600      2.23607000      0.00266145
+H      5.61898174      2.31388418      0.01613143
+H      5.25453891     -1.50011914      0.01707887 
+
+17
+-1691.3437115538902 10.176095 11.29267 -9.8674 -7.6431 -11.577 0.8987 -0.0315 2.849 11.0053 -2.57633 9.2866009944 11.2581643734 0.100797698
+C      0.94708202      0.07043357      0.14965806
+C      2.46310966      0.01723009     -0.05202867
+C      2.98432861     -1.33028192     -0.58263318
+C      2.73472683     -1.45926711     -2.08462038
+O      3.27324817     -0.32231644     -2.77510866
+C      2.67280268      0.85969623     -2.27622718
+O      2.93934111      1.08960514     -0.90595267
+H      0.64834812      1.07538358      0.47737186
+H      0.65078678     -0.64773782      0.92829125
+H      0.38319718     -0.17625768     -0.76053986
+H      2.94524012      0.22926577      0.91490240
+H      2.50832060     -2.16346835     -0.04192035
+H      4.06866097     -1.38481067     -0.40419639
+H      3.23854680     -2.34220271     -2.50103908
+H      1.65200110     -1.54717651     -2.30746839
+H      3.11930782      1.70035444     -2.82169273
+H      1.57753141      0.81777039     -2.46129605 
+
+15
+-1551.7893010538273 10.448046 11.15265 -8.9773 -6.8598 -9.29 1.1045 -0.113 1.238 8.72058 -0.6699 6.280634816 6.280634816 0.343870902
+C      1.00324211      0.10015525      0.12404316
+C      2.32677402      0.01377284     -0.06184891
+C      3.13701246     -1.25830969     -0.06819280
+C      4.18578331     -1.21871651     -1.18241879
+O      4.94026113      0.00083201     -1.08876586
+C      4.07561021      1.09822479     -1.21878821
+O      3.08067664      1.17263273     -0.18412053
+H      0.50437302      1.06831802      0.13745683
+H      0.41393229     -0.79817706      0.29981718
+H      2.47770413     -2.12995497     -0.18244151
+H      3.66279201     -1.34579394      0.89721423
+H      4.90954316     -2.03921509     -1.09321823
+H      3.70130352     -1.27735982     -2.17701786
+H      4.67840563      2.00855370     -1.12327441
+H      3.55356637      1.06133773     -2.19770427 
+
+13
+-1428.51371768724 9.988036 10.63235 -8.9056 -6.7948 -9.641 0.5387 -1.3122 0.026 9.88566 0.74458 3.7413023472 6.2246303398 0.444062062
+C      1.07084762     -0.09927758      0.18638910
+C      2.37549791      0.03382855     -0.07690588
+C      3.20386008      1.29026416     -0.11542801
+C      4.57093825      0.82523309     -0.59945079
+O      5.54783121      1.50615926     -0.83428077
+C      4.48767856     -0.69174046     -0.74006073
+O      3.16403661     -1.07752316     -0.35781956
+H      0.59379259     -1.07764949      0.17700780
+H      0.47129523      0.77696868      0.42089275
+H      3.31553454      1.75429930      0.87723253
+H      2.80428077      2.06124047     -0.78927868
+H      4.68676924     -0.98806259     -1.78372636
+H      5.22756740     -1.18385023     -0.08887139 
+
+15
+-1556.8477476010798 10.27383 11.18805 -8.6309 -6.487 -8.844 0.9383 0.043 1.213 8.33349 -0.61174 5.848915564 5.848915564 0.295456045
+C      0.98721599     -0.08436800      0.04102325
+C      2.47572635      0.03472200      0.06619678
+C      3.19480772      1.14111353     -0.20272511
+C      4.68198391      1.17652324     -0.01022603
+O      5.14949620     -0.02350792      0.63592458
+C      4.48882645     -1.14303735      0.11209015
+O      3.08532054     -1.15378952      0.41808287
+H      0.66790922     -0.84139401     -0.69097381
+H      0.52505614      0.87700142     -0.21209470
+H      0.61597593     -0.40546228      1.02594055
+H      2.68494748      2.05245613     -0.51465569
+H      5.22448709      1.32413278     -0.96661428
+H      4.97366102      1.99794898      0.66309368
+H      4.91364472     -2.03418494      0.58785206
+H      4.59154124     -1.18154404     -0.99089429 
+
+15
+-1555.9406214869784 10.394852 11.44763 -7.6371 -5.5979 -8.473 0.8869 -0.0171 1.189 8.05293 -0.60536 5.326810518 11.3064197246 0.317798781
+C      1.01308633      0.23051044      0.21290049
+C      2.43593255      0.00653093     -0.13321496
+C      3.18273294     -1.09775730     -0.30416379
+C      2.89401116     -2.54766799     -0.21257936
+O      4.47101404     -0.73996562     -0.74426113
+C      4.53717285      0.66013526     -0.45787062
+O      3.19262560      1.14973412     -0.45109966
+H      0.49996725     -0.72601459      0.37072784
+H      0.49868748      0.76824801     -0.59966222
+H      0.90889116      0.83699435      1.12581996
+H      3.54784889     -3.04379161      0.52115064
+H      3.05806431     -3.03797062     -1.18564217
+H      1.85137360     -2.71432949      0.08459606
+H      5.11607064      1.17284676     -1.23707061
+H      4.98221120      0.80458736      0.55055954 
+
+15
+-1561.9875719630809 10.397662 11.21118 -8.6178 -6.5743 -8.974 0.9051 -0.1019 1.079 8.44044 -0.48123 5.7611830704 5.7611830704 0.261893752
+C      1.04703205      0.09346844      0.01214177
+C      2.52564047     -0.04848793     -0.07533596
+C      3.31317444     -1.14530803     -0.09395759
+C      4.75183308     -0.71807799     -0.05188423
+O      5.38525713     -0.99191954      1.21841019
+C      4.61070296      0.78555892     -0.36951807
+O      3.21407192      1.14035741     -0.13926958
+H      0.56872604     -0.88960385      0.08633777
+H      0.65633956      0.61662836     -0.87309133
+H      0.77123771      0.69251485      0.89270114
+H      2.97029646     -2.17482369     -0.04041039
+H      5.39912051     -1.21529909     -0.78948922
+H      4.69527498     -0.87972232      1.89863182
+H      4.82956932      0.99439170     -1.42830925
+H      5.23979336      1.41111277      0.27642294 
+
+17
+-1692.6850473725829 10.283422 11.43495 -9.665 -7.4759 -11.399 0.9073 -0.0165 2.66 10.76137 -2.34402 8.9964489572 13.1127717586 0.130149547
+C      1.08070012     -0.11020593      0.14831679
+C      2.58351233      0.02807274     -0.08433855
+C      2.92144278      0.21275107     -1.56374401
+C      3.22821583      1.12235535      0.80761748
+O      4.46750773      0.54855233      1.23305952
+C      4.12294420     -0.81068666      1.43747724
+O      3.26158448     -1.18557084      0.37144993
+H      0.86724884     -0.31432541      1.20667673
+H      0.67606121     -0.93629265     -0.45248601
+H      0.55500267      0.81263473     -0.14076685
+H      4.00248544      0.36028271     -1.69089795
+H      2.39122704      1.08111725     -1.98203880
+H      2.62503707     -0.67999276     -2.13173315
+H      2.58488307      1.34434648      1.68138882
+H      3.44766344      2.05279086      0.26848567
+H      5.03686133     -1.42058322      1.40464718
+H      3.60446242     -0.93148605      2.41441596 
+
+17
+-1677.45115938041 10.348976 11.62992 -9.9194 -7.5816 -11.787 0.8377 -0.0675 2.434 11.59615 -2.12191 9.1166657828 10.8680672216 0.176424056
+C      0.82465915      0.14851664     -0.69459481
+C      2.27625412      0.01216902     -0.29667739
+C      2.58460436      0.02348084      1.19457342
+C      2.60383366      1.43844515      1.78714987
+O      3.73575842      2.19262289      1.35908962
+C      3.23146617     -0.60409126     -1.23791960
+O      3.19528438      0.83294800     -1.10012188
+H      0.72895159      0.23563118     -1.78419985
+H      0.37336710      1.04115858     -0.23753724
+H      0.25217500     -0.72883029     -0.35844450
+H      3.56482876     -0.44045729      1.38391676
+H      1.82609771     -0.58412431      1.71570115
+H      2.66676389      1.37853603      2.88437187
+H      1.65948412      1.96647938      1.54440304
+H      3.82606372      2.02861435      0.39868845
+H      2.87321104     -0.97544028     -2.20427417
+H      4.13481680     -1.08703865     -0.84961477 
+
+15
+-1569.6160147862881 9.934099 11.04197 -9.328 -7.2457 -10.713 0.925 -0.9292 0.146 9.81616 0.58834 3.7481711716 13.0459061088 0.145238249
+C      1.00296091     -0.03897667      0.02855723
+C      2.51427152      0.00830572      0.10766353
+C      3.12143831      1.22586942      0.81183428
+C      4.42115065      0.67293549      1.39245105
+O      5.36550078      1.29742224      1.83236357
+C      4.30947767     -0.85036440      1.29198984
+O      2.96997987     -1.12523663      0.89574059
+H      0.67250309     -0.98989192     -0.41034761
+H      0.62673879      0.78005647     -0.59968462
+H      0.56261309      0.05421948      1.03154957
+H      2.94698092     -0.07633221     -0.91124502
+H      2.48274404      1.54721067      1.65247175
+H      3.31259323      2.09662849      0.17237529
+H      5.04889206     -1.20842282      0.54572705
+H      4.52065505     -1.34093334      2.25249351 
+
+17
+-1695.6664091703951 10.279268 11.42197 -9.5118 -7.3604 -11.445 0.9101 -0.0522 2.794 10.8082 -2.54264 9.131320928 10.6071138874 0.067238774
+C      1.08334033     -0.16512524      0.22175374
+C      2.53604635      0.14116331     -0.11961120
+C      3.16353743      1.26710915      0.74023002
+C      4.49890575      0.66926878      1.22045812
+O      5.57289604      0.90390833      0.30142033
+C      4.13171851     -0.81025923      1.29504437
+O      3.37518882     -1.03521286      0.09516917
+H      0.71206166     -1.00476289     -0.38099775
+H      0.44982395      0.71187958      0.02143591
+H      0.97870794     -0.42766783      1.28503226
+H      2.61727381      0.36943886     -1.19549408
+H      2.52024262      1.49495806      1.60474111
+H      3.32842550      2.19633832      0.18054864
+H      4.82903595      1.08511560      2.18292152
+H      5.38170331      0.36740670     -0.49117468
+H      5.00567695     -1.47539675      1.27451474
+H      3.53177508     -1.02582189      2.20144777 
+
+13
+-1451.8503474750833 9.942953 10.55146 -9.9041 -7.931 -10.083 0.2998 -1.3547 -0.563 9.51145 1.12359 4.2041668824 5.360844675 0.445846433
+C      0.97433995      0.03701180      0.02884247
+C      2.46174167     -0.04391191      0.00987151
+C      3.26610831     -1.11707999     -0.08449006
+C      4.67729763     -0.68539722     -0.06071039
+O      5.69947824     -1.33042735     -0.12170408
+O      4.68835613      0.70853942      0.05305755
+C      3.33514598      1.17705266      0.10238070
+H      0.51544360     -0.95573825     -0.04902367
+H      0.60489011      0.65653928     -0.80339308
+H      0.61946416      0.51172873      0.95708412
+H      2.98539508     -2.16391839     -0.16772173
+H      3.16615305      1.87509307     -0.73551563
+H      3.18076610      1.72983817      1.04497230 
+
+17
+-1723.5002583625217 10.969871 12.42784 -9.6506 -7.5641 -11.121 0.9438 0.0697 2.589 10.86023 -2.21477 8.6767014618 10.5316560078 0.406080859
+C      0.76064432     -0.07417774     -0.52376226
+C      2.17714048     -0.12393603      0.00422566
+C      3.22803017     -0.74957723     -0.82495438
+O      3.12101412      0.68620867     -0.76093956
+C      2.40430373     -0.05803384      1.48883571
+C      1.50240007      0.72588201      2.41662517
+C      1.51309928     -0.78266127      2.47659769
+H      0.77122729     -0.12644861     -1.61951818
+H      0.26666923      0.86508684     -0.23560343
+H      0.15816889     -0.91272166     -0.14444919
+H      2.96029000     -1.19719694     -1.78940036
+H      4.11520435     -1.17486608     -0.34097335
+H      3.46696046     -0.03397903      1.74199838
+H      0.61977367      1.20735068      1.99529971
+H      1.97598879      1.28285615      3.22507713
+H      1.99227832     -1.26958337      3.32618977
+H      0.63853683     -1.30876256      2.09231149 
+
+15
+-1524.8520070268466 9.784857 11.11669 -9.9912 -7.8771 -11.736 0.9973 0.107 2.285 11.50287 -1.9387 8.9638406392 10.631055584 0.534903054
+C      0.76503998     -0.04553403     -0.45298125
+C      2.20567345     -0.06641301     -0.00676237
+C      3.22828899     -0.77346535     -0.80601108
+O      3.14094950      0.66433688     -0.84656886
+C      2.50119072      0.11558036      1.45880942
+C      1.56788388      0.75328478      2.40384664
+O      1.73511364     -0.67977447      2.38942463
+H      0.69024456     -0.30792992     -1.51519339
+H      0.33057960      0.95533095     -0.31796485
+H      0.17556074     -0.76514713      0.13282386
+H      2.92094777     -1.28574527     -1.72414954
+H      4.12227923     -1.17451293     -0.31513271
+H      3.57370631      0.17395879      1.68360757
+H      0.59433713      1.11045798      2.05426939
+H      1.97107450      1.26090237      3.28636254 
+
+19
+-1876.7386162027792 11.675293 13.12259 -9.4322 -7.5082 -11.323 0.8527 -0.0573 2.536 10.97493 -2.21182 8.8965782342 10.4715723922 0.299697087
+C      0.90387512      0.14813170     -0.24796390
+C      2.39099647      0.23952969      0.04065882
+C      2.71040582      0.02219864      1.50805700
+O      3.25089446     -0.47164145     -0.89459270
+C      3.32022122      0.98235098     -0.86273747
+C      2.82481549      1.68217046     -2.11474017
+C      4.63050774      1.55786450     -0.35776783
+H      0.68074229      0.19400243     -1.31853408
+H      0.36000902      0.95899174      0.26070982
+H      0.51258749     -0.80648764      0.13528768
+H      3.78619080      0.01550114      1.70897638
+H      2.30225093     -0.94694583      1.83254603
+H      2.24208179      0.80394066      2.12555172
+H      1.91899349      1.22379410     -2.52354620
+H      3.60315900      1.63832789     -2.89153872
+H      2.61973766      2.74389980     -1.90878498
+H      5.04550699      0.98601386      0.47816149
+H      4.49701632      2.60294031     -0.03832872
+H      5.37305793      1.55054702     -1.17009418 
+
+17
+-1722.2770502527026 11.459634 12.38579 -9.5126 -7.3086 -9.633 1.4586 -0.0829 1.163 9.06412 -0.57278 6.6044118564 6.6044118564 0.43929356
+C      0.78918632      0.24034227      0.38169711
+C      2.24670093      0.01026788     -0.03880663
+C      3.24048054      0.87365891      0.79524058
+O      3.59537725     -0.26687151      1.62401009
+C      2.90763680     -1.17218877      0.71330435
+C      2.38970582      0.09928175     -1.52986410
+C      2.76436896     -0.87812734     -2.36280323
+H      0.69869259      0.23502458      1.47768820
+H      0.13809830     -0.54604712     -0.02729056
+H      0.42219540      1.20990403      0.01174373
+H      2.80330373      1.69469883      1.38722937
+H      4.10837555      1.24260488      0.22120748
+H      3.62754640     -1.75671508      0.11590716
+H      2.22766524     -1.85368420      1.24908095
+H      2.12977571      1.07828380     -1.95258999
+H      3.02519722     -1.87761250     -2.00824346
+H      2.82128324     -0.70994042     -3.43893106 
+
+15
+-1566.6696693848583 11.093319 12.20554 -9.7167 -7.5186 -9.837 0.8927 0.0063 2.143 9.42386 -1.69466 4.332132833 10.2910487762 0.406047409
+C      0.88117112     -0.02103982      0.18921417
+C      2.39639607     -0.00460982     -0.05533616
+C      3.14914002      1.02377769      0.84523011
+O      3.56788412     -0.02130465      1.76303195
+C      3.16642666     -1.04605451      0.81505497
+C      2.72221724      0.01877247     -1.47099560
+C      3.00040996      0.03833191     -2.65329951
+H      0.67712302     -0.03831071      1.26910840
+H      0.42455807     -0.90844456     -0.27049653
+H      0.40930663      0.87123821     -0.24494328
+H      2.52073724      1.78225606      1.33807750
+H      4.00874857      1.50195231      0.34715013
+H      4.03378846     -1.49513479      0.30351458
+H      2.55086886     -1.82892693      1.28546147
+H      3.24864395      0.05558716     -3.69485221 
+
+19
+-1873.3661013982635 11.701009 13.11837 -9.2678 -7.0966 -10.591 0.8329 -0.1274 2.993 10.24547 -2.65186 8.4827005676 10.35469079 0.236374939
+C      1.01273395      0.16135788     -0.14060288
+C      2.52273876      0.08697760     -0.09508673
+C      3.31516697     -0.59731458     -1.20229857
+O      2.65231623     -1.06686630     -2.35902597
+C      3.42368648      0.89986679     -1.02663478
+C      2.80557567      1.80808092     -2.07268339
+C      4.71814886      1.42989405     -0.43676686
+H      0.64357210      1.07660791      0.34698682
+H      0.56410610     -0.69509724      0.38675848
+H      0.63244223      0.15219969     -1.17036562
+H      2.93127832     -0.05921005      0.91037827
+H      4.18682339     -1.19705858     -0.91141369
+H      2.19628346     -1.89383066     -2.12241727
+H      1.94302893      1.34808335     -2.56758450
+H      3.54485330      2.04204939     -2.85450069
+H      2.48541121      2.75958775     -1.61971647
+H      5.14568716      0.73190370      0.29799763
+H      4.54972302      2.39107024      0.07551681
+H      5.47162385      1.59525814     -1.22361059 
+
+17
+-1728.715894682787 11.892335 12.95218 -8.7344 -6.6429 -9.237 1.0717 -0.085 1.123 8.75617 -0.54762 6.2379960306 6.2379960306 0.39413462
+C      1.11078170     -0.09276402      0.18591428
+C      2.59540644     -0.16458932     -0.09173974
+C      3.11514080     -0.68196110     -1.39368441
+O      2.16926139     -1.13393279     -2.33099922
+C      3.23214503      0.81848467     -1.07245422
+C      4.55654887      1.43686825     -0.85472165
+C      5.50200287      1.03794767      0.01233604
+H      0.88964009      0.70614163      0.90813548
+H      0.74473424     -1.04179897      0.60495100
+H      0.54460994      0.10140272     -0.73403358
+H      3.21389759     -0.40589892      0.77787755
+H      4.06352891     -1.23298735     -1.37650326
+H      2.55294317     -1.01951563     -3.21778803
+H      2.50788830      1.42697479     -1.62065286
+H      4.78146389      2.29034696     -1.50423090
+H      5.35436440      0.20313700      0.70175011
+H      6.46541237      1.54515441      0.06058341 
+
+15
+-1572.99594859367 11.538867 12.88103 -9.3024 -7.0867 -9.437 0.7962 -0.1896 2.174 9.0611 -1.76348 4.3048435144 9.2360766994 0.265271156
+C      0.98902810      0.07632158     -0.05347547
+C      2.49672143     -0.00316073     -0.04637601
+C      3.26413211     -0.62739575     -1.18741581
+O      2.59232190     -1.07200994     -2.34314800
+C      3.30746884      0.87767241     -1.01046910
+C      4.50605086      1.53541565     -0.58481239
+C      5.52287899      2.08405294     -0.20611253
+H      0.64008701      0.95188138      0.51282470
+H      0.54666732     -0.81877035      0.41061491
+H      0.60017296      0.15263979     -1.07770576
+H      2.96002631     -0.13230233      0.93514078
+H      4.18400111     -1.16971329     -0.94444413
+H      2.21964845     -1.95117374     -2.14997591
+H      2.69927986      1.41430142     -1.74456612
+H      6.41918473      2.57034096      0.11941084 
+
+19
+-1874.3041073747208 11.514942 12.8552 -9.1742 -7.097 -11.25 0.8671 -0.0398 2.729 10.57456 -2.42712 8.9893817552 9.6800457682 0.114139519
+C      0.85736761      0.06200764      0.05628456
+C      2.37283586     -0.05503687      0.05529965
+C      3.20161975      0.93082082      0.89695102
+O      4.01437570     -0.14110728      1.44905978
+C      3.10086374     -1.16086795      0.89101020
+C      2.29004465     -1.80107116      2.01299431
+C      3.87509078     -2.19563967      0.09062794
+H      0.38626243     -0.79046270     -0.45614128
+H      0.54200463      0.97419086     -0.47285345
+H      0.44800460      0.11332159      1.07562168
+H      2.74242366     -0.08582974     -0.98152240
+H      2.61883828      1.44615970      1.68420988
+H      3.81252946      1.67231075      0.35784468
+H      1.77837900     -1.04394234      2.62191009
+H      2.96403231     -2.36561556      2.67329431
+H      1.53641863     -2.49697541      1.61447452
+H      4.48496561     -1.70942247     -0.68287510
+H      3.18615982     -2.90312591     -0.39579068
+H      4.54461347     -2.76873429      0.74917030 
+
+17
+-1725.9236417810146 11.62135 12.72106 -9.3722 -7.1848 -9.427 1.1428 -0.0443 1.359 8.90222 -0.78058 6.6159425544 6.6159425544 0.463169213
+C      0.81103358      0.09123613      0.15675306
+C      2.32275645      0.06203307      0.01578272
+C      3.16806315      1.02353478      0.87384993
+O      4.01563329     -0.06182534      1.35142157
+C      3.12265069     -1.05079320      0.76114950
+C      3.80835544     -2.10140474     -0.04531978
+C      5.12565486     -2.14529954     -0.27195885
+H      0.34385476     -0.75632803     -0.36679945
+H      0.39088850      1.01363629     -0.27172271
+H      0.51030807      0.04363715      1.21458475
+H      2.62154054      0.10120716     -1.04200022
+H      2.60838998      1.48975333      1.70552578
+H      3.75186720      1.79354920      0.34609177
+H      2.50404582     -1.52852194      1.54990642
+H      3.14702475     -2.87342349     -0.45558441
+H      5.78585676     -1.38546003      0.14916345
+H      5.57110616     -2.94054080     -0.87011352 
+
+15
+-1566.8736724827795 11.228805 12.51568 -9.5918 -7.4499 -9.822 1.2809 -0.0847 2.203 9.41845 -1.78267 4.3742012828 10.3702014386 0.56615683
+C      0.87288296      0.05817492      0.06105154
+C      2.38862790     -0.00607110      0.02946998
+C      3.20477246      0.97084394      0.89782250
+O      4.00280666     -0.11437288      1.45957048
+C      3.09500109     -1.10825638      0.87560386
+C      3.76460345     -2.19097168      0.18158028
+C      4.29928451     -3.10053777     -0.41952041
+H      0.42935319     -0.80795197     -0.45163713
+H      0.50683903      0.96433166     -0.44381758
+H      0.49655556      0.07270669      1.09507706
+H      2.76251192     -0.02981515     -1.00358495
+H      2.60988257      1.47676046      1.67976746
+H      3.83367157      1.70806580      0.37674182
+H      2.42957083     -1.52252946      1.65799180
+H      4.78269630     -3.89905709     -0.94442671 
+
+17
+-1677.3858299191056 10.43401 11.77856 -9.548 -7.344 -11.441 0.8615 -0.0506 2.652 10.88411 -2.39972 9.1319656552 13.8994629286 0.111400923
+C      0.85100470      0.11924149      0.07536303
+C      2.36148139     -0.04829784      0.02353879
+C      3.21632180      0.88777356      0.90559542
+O      3.82455626     -0.23587047      1.61060979
+C      2.98917546     -1.18538599      0.86488045
+C      3.85286387     -2.20648247      0.15187114
+O      4.62726943     -2.97149744      1.07452360
+H      0.33987206     -0.71066637     -0.43487130
+H      0.53788358      1.05244621     -0.41629100
+H      0.49237508      0.14869627      1.11533018
+H      2.71170989     -0.07436551     -1.02044027
+H      2.63401828      1.52345469      1.59564807
+H      3.97139734      1.50315164      0.39084703
+H      2.28611620     -1.69310847      1.55052594
+H      4.50253021     -1.68829245     -0.58056448
+H      3.21717754     -2.92009118     -0.39662209
+H      5.11993690     -2.32398567      1.61349569 
+
+17
+-1679.9903361419565 10.544279 11.99536 -9.8728 -7.7373 -11.703 0.8526 -0.0588 2.429 11.44618 -2.14201 9.092637296 10.7183293294 0.263942971
+C      0.85404585      0.03376576     -0.20595364
+C      2.33593201      0.18290500      0.06834561
+C      2.73713010     -0.03335953      1.51161416
+O      3.19001413     -0.45483100     -0.92298279
+C      3.14394338      0.99718641     -0.87189891
+C      4.44660192      1.68379056     -0.55170065
+O      5.35370800      1.61096861     -1.65789126
+H      0.63750725      0.16862423     -1.27316290
+H      0.27608960      0.77365542      0.36779447
+H      0.51117526     -0.96802176      0.09353581
+H      3.82326515      0.00381271      1.64931469
+H      2.38683806     -1.02078633      1.84809745
+H      2.27215498      0.72433697      2.16011804
+H      2.61381867      1.44056373     -1.72685929
+H      4.90204242      1.26098107      0.35935075
+H      4.26791588      2.75676348     -0.37962503
+H      5.47324734      0.66401468     -1.85656651 
+
+15
+-1542.163640443653 9.863996 10.85104 -9.6505 -7.4622 -10.977 0.8053 -1.1093 -0.111 10.09092 0.76263 3.7242542722 12.4095355652 0.165438507
+C      0.86566695     -0.07496130      0.09288712
+C      2.37858379     -0.00770932     -0.00740092
+C      3.12833469      1.05776751      0.84746913
+O      4.00095235      0.06051601      1.44038969
+C      3.22031510     -1.00726267      0.84091451
+C      2.88127605      0.02011024     -1.43610483
+O      2.17685830     -0.00042236     -2.42680086
+H      0.54768003     -0.09204008      1.14410132
+H      0.48043218     -0.97490833     -0.40596438
+H      0.40210175      0.79008457     -0.40102122
+H      2.47611432      1.53924277      1.59664969
+H      3.69781854      1.82913636      0.30340278
+H      3.85683021     -1.72070894      0.29192128
+H      2.61491202     -1.54944323      1.58757083
+H      3.99969371      0.06295879     -1.52420414 
+
+17
+-1678.3148310915155 10.60226 12.07829 -9.7447 -7.5212 -11.108 0.7958 -0.2489 2.822 10.79585 -2.50212 8.774675199 10.5624169344 0.185228537
+C      1.00123018     -0.03657934      0.11347865
+C      2.50868771     -0.04501413     -0.00142295
+C      3.19861079     -0.64641984     -1.19787637
+O      2.37714357     -1.21980782     -2.19207347
+C      3.21831168      0.85816915     -1.00026266
+C      4.49679874      1.56682890     -0.63149958
+O      5.32067014      1.88488287     -1.76397349
+H      0.65993569      0.81882468      0.71501929
+H      0.63968894     -0.95680531      0.59639747
+H      0.53049615      0.02383980     -0.87603207
+H      3.03967877     -0.19391478      0.94413972
+H      4.13028216     -1.19548016     -1.00600907
+H      2.76234447     -1.00232791     -3.05864722
+H      2.55446426      1.41159153     -1.67164979
+H      5.05894422      0.96246129      0.10722059
+H      4.27723461      2.53606689     -0.15795553
+H      5.52503793      1.04634417     -2.21486352 
+
+17
+-1680.4575130576318 10.555872 11.84351 -9.3503 -7.167 -10.674 0.8204 -0.1809 2.945 10.36162 -2.59681 8.3342273326 10.4384557316 0.201260912
+C      0.93993581      0.15889495     -0.16959177
+C      2.43462692     -0.01082600     -0.02467149
+C      3.27952265     -0.70153878     -1.09891202
+O      2.69949367     -1.09408804     -2.32493105
+C      3.42985656      0.78103504     -0.84296560
+C      2.99270012      1.79012401     -1.87658937
+O      4.56925079      1.17115532     -0.08577950
+H      0.59438466      1.07649107      0.32913828
+H      0.40658554     -0.68728359      0.28958446
+H      0.63381808      0.21120238     -1.22285428
+H      2.78568752     -0.20539505      0.99256527
+H      4.10250935     -1.33414922     -0.74672192
+H      2.17970763     -1.90115007     -2.16226461
+H      2.14929939      1.42158888     -2.47214967
+H      3.81804804      1.99758697     -2.57621894
+H      2.70937160      2.73469882     -1.39030330
+H      5.31487166      1.25740332     -0.70855448 
+
+15
+-1550.4129650777209 10.440835 11.50976 -9.4019 -7.3339 -10.933 0.9814 -0.8368 -0.175 9.93712 0.80147 3.6767304384 6.9744108776 0.248944985
+C      0.96655509      0.05095797      0.06659693
+C      2.47485782     -0.02256171      0.01401927
+C      3.18904983     -0.70491832     -1.09282945
+O      2.41356741     -1.29506643     -2.10031608
+C      3.23404765      0.83781427     -1.01298193
+C      4.49455945      1.49336268     -0.63562422
+O      4.90434290      2.55094354     -1.09151236
+H      0.63978783      0.95113497      0.60543089
+H      0.55978570     -0.82711052      0.58939182
+H      0.53436629      0.06822389     -0.94127601
+H      2.97137543     -0.09652084      0.98637365
+H      4.11951585     -1.23035791     -0.84931580
+H      2.93278021     -1.28935963     -2.92367544
+H      2.62161926      1.35988735     -1.75104395
+H      5.09649927      0.93338069      0.13270268 
+
+15
+-1542.8385520347654 9.994394 11.10472 -9.613 -7.4086 -10.922 0.6845 -1.2746 -0.113 10.10856 0.75773 3.6792473542 7.9571239136 0.147962707
+C      0.96489752      0.16102159     -0.12892229
+C      2.46450672      0.02790917      0.05962147
+C      3.16978115      0.86668037      1.14688004
+O      3.79650902     -0.31857525      1.72440552
+C      2.99348244     -1.18677052      0.88481682
+C      3.80822294     -2.18664829      0.09862003
+O      3.32314615     -3.14308790     -0.47726863
+H      0.57861946     -0.63181660     -0.78523892
+H      0.71294784      1.12759331     -0.59004808
+H      0.43709059      0.09444599      0.83403573
+H      2.98464822      0.10606423     -0.90747360
+H      2.47850370      1.34228496      1.86460189
+H      3.91863865      1.60008612      0.81129441
+H      2.20144477     -1.71086413      1.45034556
+H      4.90382082     -1.95125305      0.05203006 
+
+17
+-1736.337106847803 10.752783 11.88869 -9.1013 -6.9657 -10.725 0.9207 0.0204 2.883 10.36601 -2.55639 8.6239826146 10.674450684 0.145339294
+C      1.00998202      0.07562597      0.18836633
+C      2.50763061     -0.06745387     -0.10226642
+C      2.91001296     -1.46355678     -0.63732150
+O      3.03080140     -1.35004867     -2.07197839
+C      3.44087118     -0.02061834     -2.35527753
+C      2.32307976      0.97146581     -2.52486273
+C      3.06001282      0.86032097     -1.19709666
+H      0.75608700      1.11050960      0.46010817
+H      0.71180557     -0.57520245      1.02355839
+H      0.40104602     -0.20294200     -0.68391913
+H      3.06393727      0.13664257      0.82715818
+H      2.16092913     -2.24317129     -0.43296217
+H      3.87948401     -1.78173068     -0.20863947
+H      4.38303034      0.06459678     -2.90296482
+H      2.51159535      1.86626715     -3.12072020
+H      1.31626841      0.56154236     -2.60881120
+H      3.69679617      1.69353287     -0.89824084 
+
+15
+-1596.0636138289256 10.976199 11.67395 -8.8034 -6.687 -9.03 1.2933 -0.1335 1.266 8.44074 -0.63143 6.174564793 6.174564793 0.434043006
+C      1.17586198      0.10819452      0.46916302
+C      2.40999503     -0.02455850     -0.03532790
+C      3.10848600     -1.33691120     -0.34684338
+O      4.52672571     -1.07257343     -0.31891885
+C      4.70901489      0.32030590     -0.49482552
+C      4.09292400      0.98072666     -1.69069002
+C      3.38904715      1.04874424     -0.32606953
+H      0.73491376      1.09084627      0.64080430
+H      0.56765127     -0.76183520      0.72181420
+H      2.81519242     -1.70648315     -1.34757798
+H      2.89461953     -2.12771789      0.38609532
+H      5.65030377      0.67009956     -0.07107967
+H      4.54757525      1.90861401     -2.03859010
+H      3.65310088      0.36164871     -2.47373952
+H      3.30290836      2.00972950      0.18007562 
+
+15
+-1602.6877677371033 10.630474 11.61757 -8.0256 -5.944 -8.47 0.9443 0.0732 1.322 8.01668 -0.71186 5.5208858038 11.2972199634 0.385173457
+C      1.04168445     -0.07519692     -0.04866213
+C      2.51790206      0.13798303      0.02404320
+C      3.22209495      1.21287832     -0.38132316
+O      4.58254379      1.15020420     -0.13987915
+C      4.82441139     -0.14556161      0.41205920
+C      4.53260135     -1.35146028     -0.43421398
+C      3.48916421     -0.85928975      0.56731560
+H      0.78750427     -0.93784680     -0.68659080
+H      0.52886099      0.80848536     -0.45244134
+H      0.61951659     -0.28213837      0.94875027
+H      2.89226803      2.12668905     -0.87121890
+H      5.63276893     -0.14212395      1.14218056
+H      5.09215199     -2.25099874     -0.17637237
+H      4.32088630     -1.20976963     -1.49484729
+H      3.23036070     -1.47301391      1.43301030 
+
+15
+-1627.2859784268712 11.034983 11.90716 -8.1735 -6.2661 -8.175 0.8822 -0.0003 0.606 7.61571 -0.05524 4.52734879 6.4279673798 0.477102308
+C      0.92667722      0.07207810     -0.01042258
+C      2.42350187      0.03243250     -0.00240057
+C      3.27547503      1.10284913      0.00794549
+O      4.58319920      0.69094043      0.01332657
+C      4.55207876     -0.68036958      0.00661966
+C      3.26410953     -1.14458647     -0.00334465
+C      2.80821329     -2.57558551     -0.01383469
+H      0.56104105      1.10741396     -0.00306563
+H      0.50295405     -0.43676586      0.86913432
+H      0.51258843     -0.42093824     -0.90348116
+H      3.11820073      2.17638560      0.01267804
+H      5.52024791     -1.17046684      0.01009210
+H      1.71211340     -2.63838852     -0.00493994
+H      3.17506057     -3.12694730      0.86425920
+H      3.15931896     -3.10912140     -0.90935618 
+
+19
+-1886.908805062196 11.45449 12.76194 -9.2737 -7.0676 -11.357 0.9026 -0.0064 2.842 10.64748 -2.57502 9.1788571604 10.8399347982 0.12202197
+C      1.04529542      0.01722490     -0.19624731
+C      2.54810676      0.02797872      0.06535736
+C      3.00128235      1.08201584      1.07983303
+O      4.25587453      0.63042764      1.62300613
+C      4.44841780     -0.75101476      1.26260850
+C      3.11796972     -1.25861267      0.69702864
+C      3.25622280     -2.44709579     -0.24938896
+H      0.77020957     -0.75811865     -0.92586505
+H      0.70036916      0.98140586     -0.59824079
+H      0.48761565     -0.17851874      0.73318522
+H      3.08381993      0.20297055     -0.88646806
+H      2.25735775      1.17819446      1.89576734
+H      3.15214958      2.07753271      0.63282501
+H      5.24726141     -0.82289607      0.49820494
+H      4.77694481     -1.30558125      2.15641640
+H      2.45998228     -1.53888242      1.54087556
+H      3.88418443     -2.18634960     -1.11587699
+H      2.27741477     -2.77656677     -0.62687760
+H      3.71944127     -3.30886395      0.25361662 
+
+15
+-1600.85080189554 11.698656 11.98794 -8.8116 -6.7543 -8.704 0.1363 -1.395 0.226 8.11896 0.29214 5.0796196298 6.9509403278 0.419751709
+C      1.05192001      0.01334067      0.30849815
+C      2.36685452     -0.01869359      0.04142868
+C      3.26384677      1.18937227     -0.15091392
+O      4.41701955      0.70645009     -0.85378131
+C      4.62422431     -0.64286572     -0.41448387
+C      3.24042814     -1.19690724     -0.13343954
+C      2.91113234     -2.49665980     -0.07418785
+H      0.47096829     -0.90041658      0.44230979
+H      0.51409870      0.95785378      0.40135346
+H      3.55826804      1.61045267      0.83294367
+H      2.80751980      1.98756119     -0.75204283
+H      5.16319063     -1.18034384     -1.20655981
+H      5.24055504     -0.65967705      0.50848265
+H      1.89130950     -2.82129624      0.13821630
+H      3.65414437     -3.27855062     -0.23712357 
+
+15
+-1612.8685713783802 11.906486 11.96272 -7.736 -5.76 -8.11 0.7987 -0.6618 0.319 7.60082 0.22206 4.7281689142 4.7281689142 0.508122068
+C      0.99291264     -0.00116064      0.16454291
+C      2.47300496      0.02579750     -0.02943994
+C      3.29423130     -1.02014132     -0.28837940
+O      4.61989059     -0.71626337     -0.42073320
+C      4.72090199      0.72936230     -0.22676432
+C      3.30932528      1.22039171      0.03073171
+C      2.93178968      2.49478928      0.26352431
+H      0.59510607     -1.02049688      0.07418813
+H      0.48270838      0.63059235     -0.58017683
+H      0.71574649      0.38547099      1.15838298
+H      3.05757552     -2.07652189     -0.40842003
+H      5.16772587      1.15369033     -1.13803003
+H      5.40073362      0.90154120      0.62076906
+H      3.65185129      3.31319386      0.28565525
+H      1.88589628      2.74722459      0.43835941 
+
+17
+-1749.2696259295662 11.370934 12.28147 -7.9338 -5.8894 -8.576 0.8924 -0.0353 1.381 8.11409 -0.7591 5.6886760576 5.6886760576 0.250094995
+C      0.94325558      0.04721755      0.01180880
+C      2.47949291     -0.00696163     -0.00428752
+C      3.06161492     -1.27796879      0.66285935
+O      3.69654843     -0.86482736      1.91397536
+C      3.74665410      0.50898949      1.86940004
+C      3.12856774      1.08973728      0.83007174
+C      3.02170620      2.54786776      0.52702295
+H      0.51468009     -0.78187312     -0.57134632
+H      0.57097324      0.98532366     -0.42460693
+H      0.56337370     -0.02300048      1.04219643
+H      2.81891883      0.05422621     -1.05388397
+H      3.83832527     -1.75456887      0.04483647
+H      2.29433694     -2.02422334      0.91401157
+H      4.28119032      0.96511104      2.70203228
+H      3.44233142      2.78691995     -0.46482871
+H      3.56105551      3.14944494      1.27172069
+H      1.97412478      2.89252571      0.51796776 
+
+17
+-1743.3216107255532 11.409178 12.33819 -9.3426 -7.1233 -9.293 1.0845 -0.2534 1.277 8.65852 -0.62504 6.341635928 6.341635928 0.383415328
+C      0.94539063      0.03096361     -0.01862167
+C      2.46913910     -0.00783589      0.03456525
+C      3.12511022      1.08507205      0.89393877
+O      4.44840385      0.60630100      1.16197941
+C      4.32588400     -0.80631048      1.39269095
+C      3.08198761     -1.25566941      0.64721416
+C      2.60550025     -2.50355319      0.59653319
+H      0.54849038     -0.76966111     -0.65846480
+H      0.58960187      0.98620869     -0.43150544
+H      0.51451553     -0.09458368      0.98582170
+H      2.87443978      0.09724384     -0.98920746
+H      2.55595268      1.22262276      1.83719239
+H      3.21819548      2.05685811      0.39020255
+H      5.24842639     -1.28764511      1.03437483
+H      4.22329562     -1.01336035      2.47627952
+H      1.68438212     -2.74481863      0.06369371
+H      3.12105450     -3.33197219      1.08644293 
+
+13
+-1432.2408329431573 9.892345 10.51736 -8.1834 -6.1625 -8.344 0.7479 -0.2893 0.406 7.82639 0.11126 4.5149253928 6.3631227018 0.461854675
+C      0.92195632      0.01944860     -0.00922005
+C      2.41797822      0.00468617     -0.00162894
+C      3.28214373      1.06713291      0.00514381
+O      4.58342876      0.65091884      0.01049084
+C      4.56290783     -0.72673980      0.00733501
+C      3.26436274     -1.16004502     -0.00012218
+O      2.87052511     -2.47385335     -0.00496036
+H      0.54021735      1.04848484     -0.00281627
+H      0.50252249     -0.48858770      0.87437118
+H      0.51154438     -0.47445799     -0.90497014
+H      3.12648484      2.14085021      0.00688740
+H      5.52080633     -1.23097981      0.01105419
+H      1.89814189     -2.50012790     -0.01003449 
+
+17
+-1693.1379657925115 10.251352 11.35669 -9.5194 -7.377 -11.566 0.9281 -0.0112 2.658 11.33332 -2.38602 9.242660356 10.556230033 0.115660536
+C      0.94575488     -0.00329160      0.36765745
+C      2.41186528     -0.07043943     -0.06259131
+C      3.28451465      1.04495735      0.57410014
+O      4.46513876      0.40581261      1.09314697
+C      4.00056626     -0.87561002      1.54552622
+C      3.13882917     -1.37401644      0.38506576
+O      3.93762506     -1.94760023     -0.65610689
+H      0.35105221     -0.78825474     -0.12083093
+H      0.49856234      0.96672478      0.10347191
+H      0.84368463     -0.12621391      1.45759879
+H      2.47087464     -0.02904110     -1.16060663
+H      2.73368157      1.53387369      1.40260219
+H      3.61202973      1.81797297     -0.13394789
+H      4.87282960     -1.51190589      1.74373430
+H      3.40064139     -0.76960958      2.47311158
+H      2.42990387     -2.16088933      0.68022590
+H      4.65325596     -1.31045913     -0.84185754 
+
+13
+-1422.2256286463423 9.950568 10.43794 -9.3757 -7.3485 -10.248 -0.4121 -2.1627 -0.705 9.63841 1.30249 3.486362334 5.4306735902 0.34353806
+C      1.03145643     -0.02654751      0.18739637
+C      2.35280351      0.02714237     -0.02133618
+C      3.29273684      1.20031315     -0.04113350
+O      4.46792706      0.74835421     -0.75106522
+C      4.60039470     -0.65840194     -0.54151235
+C      3.18849159     -1.18703002     -0.29793030
+O      2.82851142     -2.35186681     -0.31392924
+H      0.52784310     -0.99544725      0.15611692
+H      0.42871104      0.86030000      0.38906426
+H      3.56453190      1.50640239      0.98947651
+H      2.90171729      2.07792053     -0.57378800
+H      5.06377712     -1.11565432     -1.42620125
+H      5.22729800     -0.88826480      0.34486195 
+
+15
+-1557.9245051244102 10.233646 11.01332 -8.4892 -6.4105 -8.923 0.9418 -0.0897 1.085 8.46783 -0.49203 5.7174160124 5.7174160124 0.242187771
+C      1.00475203      0.01659988      0.24756705
+C      2.47214898      0.05264985     -0.03128693
+C      3.28977109     -0.96498365     -0.36213314
+O      4.60747013     -0.64159792     -0.56676869
+C      4.72074820      0.76127751     -0.17851076
+C      3.28908720      1.32472877     -0.10475089
+O      2.91776460      2.15569883     -1.22668651
+H      0.59242415     -0.99087147      0.10086968
+H      0.45702284      0.70868049     -0.41070182
+H      0.78450553      0.32218939      1.28366534
+H      3.06039037     -2.02077437     -0.50582724
+H      5.34056574      1.27973085     -0.92114227
+H      5.21272748      0.78799113      0.80642367
+H      3.16589492      1.98460459      0.76749718
+H      2.80355672      1.55928613     -1.99055468 
+
+17
+-1681.4488473965791 10.379444 11.56178 -9.4977 -7.3853 -11.425 0.8942 -0.1224 2.537 11.21146 -2.23978 8.915089344 13.262906406 0.059143294
+C      0.96050784      0.04566094      0.16832595
+C      2.45504879     -0.07067897     -0.06783313
+C      2.81426795     -0.05085141     -1.54873402
+O      3.19299014      0.98549604      0.65925715
+C      4.11289622      0.01216651      1.22441016
+C      3.21518806     -1.15162695      0.77115224
+O      3.78176870     -2.28655828      0.14902624
+H      0.73824476      0.05643024      1.24409999
+H      0.43335463     -0.80318611     -0.29209187
+H      0.56922552      0.97403270     -0.27338772
+H      3.90340890     -0.06810312     -1.70450030
+H      2.43437136      0.87295949     -2.00729961
+H      2.37031986     -0.90891699     -2.07403246
+H      5.09691091      0.02532416      0.71624234
+H      4.26306256      0.16027497      2.30490659
+H      2.58520631     -1.54317036      1.58216260
+H      4.37408749     -1.97866286     -0.56114416 
+
+15
+-1553.6293401363168 9.969991 11.03027 -9.608 -7.4886 -10.554 0.7976 -1.0545 0.111 9.82824 0.66071 3.7267587894 11.7940690612 0.139333936
+C      1.02946301      0.06291593      0.21359822
+C      2.50515280     -0.05214836     -0.14144787
+C      2.76757636     -0.08465149     -1.64056140
+O      3.31102470      0.99500653      0.53060542
+C      4.07188407      0.03762550      1.31495257
+C      3.28706695     -1.10427977      0.67385808
+O      3.27157958     -2.30756344      0.75831813
+H      0.88451806      0.09563601      1.30136670
+H      0.47412504     -0.79530110     -0.18959189
+H      0.61540520      0.98457737     -0.22000058
+H      3.84226816     -0.15492852     -1.85375178
+H      2.38088472      0.83440417     -2.10391906
+H      2.26158966     -0.94737132     -2.09575844
+H      5.15135110      0.05035727      1.08613762
+H      3.92554058      0.15434122      2.40242427 
+
+17
+-1677.7470912752708 10.548124 11.8227 -9.7975 -7.5447 -11.089 0.866 -0.1083 2.759 10.75447 -2.41716 8.7123846326 10.7487306966 0.19653812
+C      0.85444794      0.24281592     -0.30053381
+C      2.30635432      0.08585211      0.10889449
+C      2.56839430      0.12536997      1.60442827
+O      2.10264554     -1.03977239      2.30331153
+C      3.19353421     -0.83038019     -0.72374741
+C      3.35763336      0.66773881     -0.80807488
+O      4.48263299      1.29312967     -0.22435222
+H      0.74393511      0.25044733     -1.39423992
+H      0.43224481      1.18354617      0.08748124
+H      0.23973046     -0.59170423      0.07457105
+H      2.11338479      1.04040613      2.02939697
+H      3.64736068      0.17631966      1.79520147
+H      1.13241132     -1.05991526      2.23759887
+H      2.75648699     -1.35987786     -1.57210129
+H      3.96161592     -1.38043722     -0.17770732
+H      2.98356319      1.16921648     -1.70952940
+H      5.26070408      1.04688490     -0.75448765 
+
+17
+-1682.9680775219606 10.421318 11.67478 -9.7575 -7.5775 -11.536 0.8678 -0.1331 2.547 11.28375 -2.31266 9.2002447454 11.2536636816 0.120607029
+C      0.92416446     -0.03775306     -0.02500045
+C      2.43881378      0.01521971      0.05536695
+C      3.15736685      1.06431235      0.97535055
+O      2.41006488      1.52852160      2.09939060
+C      4.22997537     -0.01479235      1.29297164
+C      3.22426950     -1.09491279      0.81025580
+O      3.67781359     -2.24894443      0.12322673
+H      0.59726009     -0.94670231     -0.55070757
+H      0.51730325      0.83146903     -0.56190198
+H      0.46983627     -0.04410617      0.97698076
+H      2.87358284      0.11129708     -0.95635610
+H      3.50802768      1.97756707      0.47746726
+H      2.16443945      0.76404509      2.64974282
+H      5.08874579      0.06231506      0.60762582
+H      4.60491757     -0.06282688      2.32494159
+H      2.62879791     -1.48977482      1.65047326
+H      4.22400074     -1.94995419     -0.62654770 
+
+15
+-1556.6565962588575 9.95738 11.00992 -9.3248 -7.2649 -10.621 0.6317 -1.0907 0.15 9.79696 0.62557 3.7457286474 8.2862075548 0.11604921
+C      0.89602562     -0.04119902      0.05010728
+C      2.41376941      0.02691299      0.03429027
+C      3.20280001      1.07075848      0.91447521
+O      2.47824211      1.65634357      1.98665152
+C      4.21343613     -0.04331203      1.32826783
+C      3.23743450     -1.07228854      0.73200522
+O      3.10237093     -2.26900708      0.85108481
+H      0.55755199     -0.97160604     -0.42553044
+H      0.45378486      0.80718388     -0.48957265
+H      0.49967267     -0.02771078      1.07528029
+H      2.78372223      0.09744860     -1.00478127
+H      3.62763220      1.91507902      0.35759840
+H      2.12896450      0.94671857      2.55629207
+H      5.16542887     -0.01208668      0.77668034
+H      4.43450397     -0.13470494      2.40143110 
+
+15
+-1566.8193283152489 9.788522 10.82794 -9.3257 -7.244 -10.664 0.7814 -0.9879 0.147 9.78971 0.5988 3.7454434796 11.5414351876 0.102444667
+C      0.94308273     -0.00880764      0.01623494
+C      2.46669936      0.02640520      0.03241969
+C      3.14239493      1.10096192      0.89068053
+O      4.46222824      0.59422018      1.18053093
+C      4.31995427     -0.80639954      1.40833650
+C      3.10556827     -1.25065699      0.59371810
+O      2.71288095     -2.39139595      0.44729617
+H      0.59280193     -0.90955723     -0.50510577
+H      0.52736796      0.87153591     -0.49233459
+H      0.54084510     -0.03549967      1.03974862
+H      2.85510796      0.11301214     -1.00010896
+H      2.57317130      1.25755509      1.82976340
+H      3.27076199      2.06884351      0.38983603
+H      5.23794164     -1.32716462      1.10197944
+H      4.12738338     -1.03554230      2.47690498 
+
+15
+-1629.8910117708406 11.280409 12.36511 -8.0061 -6.0863 -7.98 0.916 0.0787 0.661 7.46562 -0.07288 4.4090165516 6.596799116 0.454713676
+C      0.94948140     -0.05569631     -0.00932752
+C      2.42788124      0.09131575      0.00138687
+C      3.27440618      1.16745428      0.00857367
+C      4.62105052      0.66165446      0.01576927
+C      5.88861788      1.46711991      0.02596828
+C      4.49246092     -0.70072751      0.01249795
+O      3.16670049     -1.06933812      0.00392148
+H      0.47946384      0.93514287     -0.00312807
+H      0.59300759     -0.61142300      0.87141829
+H      0.60388808     -0.59502373     -0.90457214
+H      2.97657558      2.21279770      0.00833782
+H      5.66519234      2.54180344      0.00757085
+H      6.51913510      1.24599958     -0.84753486
+H      6.48940969      1.27049450      0.92603965
+H      5.20485913     -1.51897383      0.01556845 
+
+15
+-1606.8169522970668 11.312317 11.7491 -8.4971 -6.4007 -9.047 1.1174 -0.2787 1.177 8.77655 -0.62601 5.9873211358 5.9873211358 0.275345495
+C      0.96116004      0.05873009      0.50234936
+C      2.19282982     -0.03581221     -0.01358110
+C      3.00661446      1.17800491     -0.36896777
+O      4.28881118      1.20578247      0.31195038
+C      4.93433358     -0.00170189      0.32214668
+C      4.38115030     -1.18801384      0.02171436
+C      2.91209898     -1.33483842     -0.28445338
+H      0.49591308      1.02961247      0.68547270
+H      0.37462364     -0.82841980      0.75017035
+H      2.50196936      2.11075290     -0.08866301
+H      3.21320462      1.18921969     -1.45592675
+H      5.97776425      0.11592688      0.61953169
+H      5.01350879     -2.07535365      0.04852674
+H      2.76589966     -1.63029326     -1.34187663
+H      2.46995826     -2.14300634      0.31993638 
+
+15
+-1606.2239044667429 11.710642 12.29756 -8.4338 -6.3477 -9.112 1.022 -0.4809 1.145 8.776 -0.50567 6.1345297136 6.1345297136 0.670141913
+C      1.02019445      0.01485730      0.00522540
+C      2.35513363     -0.02467459      0.02945166
+C      3.28093568      1.16593332      0.08900722
+O      4.56067652      0.70633920     -0.39897046
+C      4.57159052     -0.67075673     -0.50849324
+C      5.64208162     -1.32877844     -0.97207243
+C      3.24950055     -1.23886720     -0.03808503
+H      0.42433755     -0.89778749     -0.04239872
+H      0.47680821      0.96079174      0.04022810
+H      3.41173233      1.53394849      1.12265542
+H      2.95046779      2.00264246     -0.54342856
+H      5.61887939     -2.41306195     -1.05090641
+H      6.54373909     -0.79815412     -1.27198328
+H      2.86601550     -2.02014831     -0.70709990
+H      3.36820718     -1.68766368      0.96397022 
+
+15
+-1606.4304470894685 11.997074 11.89288 -8.6857 -6.6294 -8.425 0.5786 -0.9488 0.265 7.90834 0.28338 5.0420890676 5.0420890676 0.698436411
+C      0.85954279     -0.03298991     -0.09925647
+C      2.20450017     -0.03903003     -0.02514084
+C      3.01532943      1.23422957      0.08477195
+O      4.25053743      1.14889376     -0.63445918
+C      5.07610268      0.09780635     -0.13999851
+C      4.34721743     -1.20354909      0.02214190
+C      3.00044408     -1.25902908      0.02889223
+H      0.29318117      0.89910628     -0.13642106
+H      0.29004703     -0.96412878     -0.11695208
+H      2.47482462      2.09186174     -0.33726959
+H      3.21901255      1.44474587      1.15572541
+H      5.54133641      0.39419805      0.82728802
+H      5.89484605     -0.00776652     -0.86900141
+H      4.95216708     -2.10809752      0.11865304
+H      2.47819108     -2.21727069      0.08996659 
+
+17
+-1753.0342652133745 11.397217 12.29103 -8.1067 -6.0268 -8.651 0.9099 -0.009 1.364 8.16243 -0.7439 5.7920431858 5.7920431858 0.274983738
+C      0.99176750      0.03978305      0.03152990
+C      2.49030816     -0.01465927     -0.04493379
+C      3.21240624      1.07728111     -0.35949930
+O      4.58288317      1.15930969     -0.41808559
+C      5.26029711      0.03553514      0.18131810
+C      4.63930615     -1.29046330     -0.23602679
+C      3.17136714     -1.33806167      0.20671209
+H      0.52708988     -0.66093858     -0.68299594
+H      0.60967898      1.04727080     -0.18432076
+H      0.63065755     -0.24704065      1.03412074
+H      2.75616984      2.03671583     -0.61354373
+H      6.30676231      0.12399114     -0.13962613
+H      5.21420637      0.15239439      1.28002073
+H      5.21710936     -2.11949766      0.19974194
+H      4.70640689     -1.38309292     -1.33159785
+H      3.09523036     -1.61109908      1.27569662
+H      2.63785302     -2.13402801     -0.34173023 
+
+15
+-1614.2873956195997 11.118262 11.67563 -8.093 -5.9788 -8.439 0.884 -0.0031 1.101 8.11289 -0.59747 5.0136714764 6.715205746 0.387826914
+C      0.99220476      0.00540932      0.10069512
+C      2.48239277      0.00342775     -0.05665019
+C      3.16656470      1.14648896     -0.20971948
+O      4.54012418      1.25374021     -0.35846330
+C      5.23105341      0.05995284     -0.34594041
+C      4.67040284     -1.14608114     -0.20157534
+C      3.18794697     -1.33303719     -0.03103178
+H      0.57510529      1.02117220      0.07147503
+H      0.69799124     -0.45861737      1.05738878
+H      0.51122013     -0.58589546     -0.69680859
+H      2.70275757      2.13260812     -0.23325535
+H      6.29925859      0.23176014     -0.47067606
+H      5.32776786     -2.01605152     -0.21028017
+H      2.77777707     -1.99216516     -0.82277611
+H      2.96180263     -1.86075168      0.91782786 
+
+15
+-1612.3907725852887 11.599563 12.28641 -7.9513 -5.9022 -8.522 1.3589 -0.1007 1.189 8.10315 -0.65025 5.5014200018 11.4426183456 0.292171748
+C      0.96625006     -0.02113004      0.18287590
+C      2.43452035      0.02470014     -0.07249727
+C      3.27818846     -0.99836495     -0.26112719
+O      4.60080971     -0.62941645     -0.47919670
+C      4.64655431      0.76889738     -0.43998679
+C      5.79741969      1.42136922     -0.63606062
+C      3.25120632      1.29555841     -0.16120820
+H      0.59573963     -1.05484386      0.20050469
+H      0.40573836      0.52565818     -0.59332875
+H      0.71013144      0.44660909      1.14793173
+H      3.10652832     -2.07217245     -0.27275797
+H      6.72237780      0.88120448     -0.82902902
+H      5.82048461      2.50828606     -0.60462768
+H      2.89986680      1.96492207     -0.96486559
+H      3.21586413      1.87800272      0.77579346 
+
+15
+-1610.4957612868639 11.44321 11.82914 -7.8548 -5.8234 -8.029 0.7892 -0.7636 0.413 7.58519 0.14852 4.300578396 6.7109654248 0.322735453
+C      0.97893774     -0.00435235     -0.19324144
+C      2.46872803     -0.00508823      0.00373848
+C      3.18904584      1.14421429      0.05665983
+O      4.54056350      1.18832945      0.24531244
+C      5.22498209     -0.01020328     -0.21349331
+C      4.53863090     -1.25032925      0.27955110
+C      3.19026110     -1.23562708      0.31050731
+H      0.69131133     -0.54996151     -1.10616880
+H      0.58648953      1.01829395     -0.27904050
+H      0.46570820     -0.49422881      0.64998031
+H      2.74319153      2.14153596      0.05971372
+H      6.25247527      0.08556685      0.15894825
+H      5.24627856      0.02405616     -1.32397032
+H      5.12835435     -2.11406993      0.58850247
+H      2.62101202     -2.10889622      0.63866045 
+
+17
+-1747.8567161551764 11.408255 12.20777 -8.9666 -6.7936 -8.988 0.9231 0.0388 1.31 8.52758 -0.68558 6.0543107716 6.0543107716 0.300874494
+C      0.85073486      0.10529402     -0.06859236
+C      2.38021615      0.05828216      0.05449001
+C      3.04434408      0.06235669     -1.32976485
+O      2.75198736     -1.17605644      0.74302252
+C      3.45734339     -0.87848010      1.95693010
+C      3.52600139      0.61711183      2.02264332
+C      2.92084486      1.14378380      0.95580330
+H      0.38597413      0.07864053      0.92599584
+H      0.49558003     -0.76077932     -0.64499146
+H      0.52601189      1.02101728     -0.58439056
+H      4.13707608      0.01644444     -1.23029839
+H      2.77992721      0.97136008     -1.88995431
+H      2.70773339     -0.81016003     -1.90748234
+H      4.46145500     -1.34534207      1.93121309
+H      2.91632790     -1.31270040      2.82044702
+H      4.00732197      1.16028434      2.83576477
+H      2.81090032      2.20383318      0.72750432 
+
+19
+-1873.6905621809306 11.54709 12.78349 -9.9435 -7.6951 -11.567 0.8935 -0.0835 2.738 11.33155 -2.41382 9.4978979356 9.4978979356 0.105688036
+C      0.87574856     -0.09224256      0.15108251
+C      2.39182942     -0.02482105      0.00226227
+C      2.81277612     -0.03091059     -1.47315644
+O      2.38331043      1.11591239     -2.21574196
+C      3.13246015      1.08865531      0.80916388
+C      4.18869927      0.04063132      1.25219651
+C      3.22440671     -1.08635548      0.79199704
+H      0.58779549     -0.12167827      1.21225333
+H      0.46423797     -0.99258776     -0.33432268
+H      0.38325773      0.79103113     -0.28825295
+H      2.45249281     -0.96649449     -1.94648319
+H      3.91110552     -0.02604905     -1.55092669
+H      1.41190603      1.09339463     -2.26012786
+H      2.52607485      1.44521697      1.65502470
+H      3.47669594      1.95761676      0.23126381
+H      5.10400718      0.08309455      0.64537626
+H      4.47990165      0.04262131      2.31105722
+H      3.65152047     -1.91640060      0.20756973
+H      2.64866370     -1.51099452      1.62758451 
+
+17
+-1751.6814170766252 11.277359 12.16236 -8.4085 -6.2913 -8.994 0.9233 0.0036 1.287 8.53617 -0.71688 6.0125274896 6.0125274896 0.273961843
+C      1.02547553      0.05694683      0.53121649
+C      2.45495013     -0.02329237     -0.00537588
+C      2.75915648      1.15990082     -0.92437840
+O      4.13064815      1.18572286     -1.37518926
+C      4.60348345     -0.03557833     -1.77927855
+C      3.99647155     -1.21539533     -1.57072769
+C      2.72777888     -1.32903475     -0.77002494
+H      0.86466176      0.96992703      1.12371084
+H      0.80087074     -0.80478689      1.17647154
+H      0.29372728      0.05462464     -0.29235259
+H      3.16204887      0.03318065      0.84095012
+H      2.60504782      2.12101137     -0.41424743
+H      2.10333945      1.12339140     -1.81499473
+H      5.55889981      0.06859050     -2.29587946
+H      4.47359382     -2.11325147     -1.96438485
+H      1.86648500     -1.56913909     -1.42243498
+H      2.80362128     -2.16649785     -0.05557023 
+
+17
+-1751.426858274517 11.699559 12.696 -8.2597 -6.2437 -9.054 0.8512 -0.0574 1.384 8.47508 -0.79085 6.2104339428 6.2104339428 0.419942543
+C      0.98244535      0.04268635     -0.15541061
+C      2.48570195     -0.04360067      0.08569399
+C      3.04690560      1.06298562      0.98579889
+O      4.28619230      0.54691456      1.52147461
+C      4.26358106     -0.83502141      1.46779185
+C      5.28816612     -1.57429840      1.91440921
+C      2.96378456     -1.29233104      0.84810163
+H      0.63548524     -0.78392214     -0.79165323
+H      0.70850647      0.98244362     -0.65737040
+H      0.42780392     -0.00772668      0.79451586
+H      3.01788851     -0.00062124     -0.87996682
+H      2.35556895      1.28514116      1.82056769
+H      3.27828417      1.99794864      0.45718205
+H      5.24446414     -2.65844309      1.83966990
+H      6.16882053     -1.11190147      2.35656456
+H      3.09290272     -2.17804973      0.21285825
+H      2.23819842     -1.54797409      1.64105256 
+
+19
+-1889.2290516618166 11.567015 12.99692 -9.385 -7.2891 -11.442 0.9411 0.0456 2.925 10.65812 -2.66155 9.2785295058 10.9349080742 0.215405087
+C      0.91094638      0.04379240      0.10752516
+C      2.43204681     -0.00342826     -0.02051302
+C      3.17167442      1.06226183      0.80620786
+O      4.48854944      0.54844255      0.99793424
+C      4.31121936     -0.84796353      1.32000453
+C      5.61029371     -1.58455926      1.05158922
+C      3.09085850     -1.31423880      0.48488063
+H      0.43596087     -0.74592783     -0.49272247
+H      0.50702772      1.00794498     -0.23717926
+H      0.59958647     -0.09706254      1.15489581
+H      2.70832401      0.14429627     -1.07713015
+H      2.66378602      1.21066660      1.78377418
+H      3.25880246      2.03669145      0.30546260
+H      4.06067227     -0.92110284      2.39898899
+H      5.87098102     -1.52270915     -0.01536539
+H      5.51196288     -2.64402128      1.32802769
+H      6.43210711     -1.15087411      1.63772608
+H      3.40609021     -1.95296835     -0.35339077
+H      2.39326032     -1.89918013      1.10364405 
+
+17
+-1752.9111635543998 11.539053 12.58537 -8.0827 -6.0155 -8.591 0.9266 0.0275 1.372 8.08219 -0.75246 5.692011281 5.692011281 0.252772643
+C      0.94825601     -0.00974499     -0.08013644
+C      2.48544804      0.00749452     -0.04177082
+C      3.10434252     -1.19856854      0.70528311
+O      3.53305539     -0.71755973      2.01564274
+C      3.55773319      0.66188497      1.92905037
+C      4.12930615      1.34680156      3.12003365
+C      3.03892006      1.14639271      0.78762133
+H      0.57406793     -0.86706779     -0.66097265
+H      0.55722037      0.90749463     -0.54427711
+H      0.53688007     -0.07323362      0.93826894
+H      2.86331566      0.03212251     -1.07783229
+H      3.99921386     -1.58171917      0.18852642
+H      2.39865075     -2.02485554      0.87058470
+H      4.09335474      2.43472187      2.99190213
+H      5.17327755      1.04003921      3.28360285
+H      3.56465295      1.07760482      4.02548070
+H      2.94090475      2.20047258      0.54082236 
+
+17
+-1745.7899482504683 11.380612 12.1479 -9.3301 -7.1033 -9.116 0.9391 -0.006 1.327 8.59331 -0.69991 6.2387647438 6.2387647438 0.359278622
+C      0.89945337     -0.01707389     -0.08232771
+C      2.42007690     -0.01808239      0.14928612
+C      3.10431723      1.22335742     -0.44090673
+O      3.21403846      1.13847464     -1.86639945
+C      4.09513799      0.08558205     -2.25507709
+C      3.85718341     -1.19628551     -1.51064676
+C      3.07562966     -1.25083800     -0.42383087
+H      0.42385989      0.82673802      0.43991134
+H      0.43933801     -0.94592388      0.28478042
+H      0.68014329      0.06909821     -1.15587823
+H      2.60388305     -0.00708641      1.24024958
+H      2.52182445      2.13449926     -0.24025294
+H      4.11057007      1.34620478      0.00747803
+H      5.15358176      0.40617984     -2.13076604
+H      3.92991111     -0.05917295     -3.33485552
+H      4.35102695     -2.09188155     -1.89793719
+H      2.89106439     -2.20635963      0.07558303 
+
+17
+-1686.4919983391894 10.272006 11.32475 -9.1 -6.9901 -11.095 0.9825 0.0633 2.892 10.69217 -2.618 8.872624139 10.2279523008 0.095282468
+C      0.95229633     -0.00158146      0.07022490
+C      2.47354128      0.00289271     -0.08086870
+C      3.03255884     -1.31099801     -0.63475041
+O      2.68408071     -1.49415709     -2.01142266
+C      3.21257821     -0.40849306     -2.78332562
+C      2.66374491      0.91932197     -2.28497585
+O      2.94462922      1.10577450     -0.89186768
+H      0.60020090      0.99223423      0.37791678
+H      0.65563093     -0.72612025      0.84278158
+H      0.44706896     -0.28557139     -0.86265940
+H      2.93445178      0.18534820      0.90385745
+H      2.62211481     -2.17474891     -0.09172154
+H      4.13509021     -1.31155898     -0.52721494
+H      4.31897514     -0.40883676     -2.71745999
+H      2.91646655     -0.59046970     -3.82675291
+H      3.14672977      1.75982988     -2.80520766
+H      1.57590147      0.97108413     -2.47736335 
+
+15
+-1545.3044715196886 10.521223 11.15755 -8.9472 -6.8267 -9.337 1.1327 -0.1092 1.211 8.78683 -0.64584 6.2832261234 6.2832261234 0.338585363
+C      1.04028125      0.04121053      0.11186089
+C      2.35912523      0.01427027     -0.11888484
+C      3.20195716     -1.23641481     -0.09976985
+O      4.16320059     -1.27303761     -1.16463349
+C      4.96807784     -0.09364937     -1.10715709
+C      4.10081486      1.13854405     -1.27271541
+O      3.05900953      1.19764878     -0.27134370
+H      0.49745140      0.98504400      0.14841735
+H      0.49814545     -0.88381386      0.30005241
+H      2.57222320     -2.12779330     -0.20906282
+H      3.73747691     -1.29267781      0.87143727
+H      5.51502593     -0.05286787     -0.14342617
+H      5.69696738     -0.16402580     -1.92740795
+H      4.68600718      2.06023871     -1.14784427
+H      3.63167608      1.13696409     -2.27257235 
+
+13
+-1408.2498101162855 10.349907 10.53557 -8.2126 -6.179 -8.977 1.3096 -0.2373 0.877 8.61866 -0.59889 5.6572828024 5.6572828024 0.276585343
+C      0.94529192     -0.08770041      0.26155587
+C      2.24307812     -0.03888681     -0.06235029
+C      3.05986129      1.21412658     -0.20647578
+O      4.29988502      1.12955071      0.53121957
+C      4.94368144     -0.05341478      0.25420624
+C      4.30377253     -1.13723655     -0.21154860
+O      2.92618826     -1.20441968     -0.36433096
+H      0.40005917      0.83190029      0.46168056
+H      0.41412045     -1.03676302      0.31496443
+H      2.51771343      2.08244283      0.18255685
+H      3.30579522      1.37583602     -1.27252350
+H      6.01479232     -0.03451312      0.44501461
+H      4.79769084     -2.06903204     -0.46986901 
+
+15
+-1553.0350463749992 10.221327 11.09574 -7.9103 -5.8318 -8.748 0.9607 0.0498 1.175 8.31609 -0.62427 5.7069019996 13.1513438032 0.268963533
+C      1.05964762     -0.02930234      0.17453349
+C      2.54112822      0.00974363      0.00720920
+C      3.23675866      1.07187141     -0.44604109
+O      4.61632125      1.12837922     -0.54340151
+C      5.23675483      0.06121539      0.18634435
+C      4.51669676     -1.25125142     -0.08091229
+O      3.15647327     -1.18050267      0.37254192
+H      0.61256773     -0.81885074     -0.44953590
+H      0.61477015      0.93401526     -0.10411532
+H      0.79075001     -0.24463630      1.22068051
+H      2.75255634      1.98865651     -0.77553107
+H      6.28196911      0.01713396     -0.14870293
+H      5.20692925      0.28952041      1.26648876
+H      4.98538331     -2.08093316      0.46574866
+H      4.53137348     -1.47157917     -1.16268679 
+
+13
+-1408.410183284509 9.822971 10.45736 -7.5094 -5.4959 -8.587 1.6323 -0.116 0.827 8.32862 -0.43206 4.7456757374 12.7529023936 0.4801303
+C      1.04035005     -0.06869410      0.02090102
+C      2.51666071      0.05143041     -0.10665019
+C      3.19916515      1.20143657     -0.15867016
+O      4.58901394      1.30373240     -0.27872211
+C      5.19587228      0.05430638     -0.34729625
+C      4.53104910     -1.10149134     -0.29691834
+O      3.14634888     -1.20391103     -0.16929701
+H      0.57305426      0.92204255      0.06856688
+H      0.77510022     -0.62924851      0.93085989
+H      0.62116452     -0.61687402     -0.83720058
+H      2.71676224      2.17386019     -0.11078313
+H      6.27624441      0.11241692     -0.44738229
+H      5.02188426     -2.06929643     -0.35265774 
+
+17
+-1695.547555926406 10.328407 11.51399 -9.4786 -7.3824 -11.203 0.9809 0.0659 2.934 10.81664 -2.59906 8.803563937 12.6027553476 0.128795226
+C      1.19370204     -0.05381101      0.21406530
+C      2.67500192      0.01443307     -0.14176536
+C      2.92593460      0.17602047     -1.63802357
+O      3.25748707      1.11274945      0.59867024
+C      4.46868427      0.62730762      1.18668636
+C      4.13533152     -0.83298892      1.44970914
+O      3.36318397     -1.18261230      0.29600923
+H      1.07481680     -0.23587504      1.28984816
+H      0.70788383     -0.86590776     -0.34263938
+H      0.70034451      0.89451336     -0.03802431
+H      4.00064744      0.29286668     -1.82812200
+H      2.39695068      1.05997889     -2.01796845
+H      2.57004892     -0.71132688     -2.17852942
+H      5.32193622      0.72463821      0.48910165
+H      4.66745930      1.21600849      2.09251288
+H      5.01069781     -1.49570876      1.48833005
+H      3.54451910     -0.94801558      2.37781948 
+
+15
+-1554.3352365227074 10.08115 10.95511 -7.71 -5.6884 -8.928 0.9883 0.0783 1.112 8.60032 -0.62744 5.6466696008 11.7868902718 0.38827611
+C      0.81562429     -0.00282725     -0.00877291
+C      2.33451650     -0.00019186     -0.08549259
+C      3.03372515      0.00257824      1.26476534
+O      2.77597758     -1.17016769     -0.84939397
+C      3.41030731     -0.66832336     -1.97601813
+C      3.40793365      0.66750635     -1.97751903
+O      2.77184414      1.16962257     -0.85201129
+H      0.39467626     -0.00443355     -1.02194939
+H      0.46381836      0.89068599      0.52355777
+H      0.46704235     -0.89671920      0.52504275
+H      4.12092917      0.00397297      1.11761028
+H      2.75110744     -0.89072893      1.83715073
+H      2.74849420      0.89657352      1.83477350
+H      3.80980685     -1.38934645     -2.67938432
+H      3.80486674      1.38835863     -2.68250874 
+
+17
+-1677.7210883119653 10.352671 11.56324 -9.3038 -7.1653 -11.292 0.8877 -0.1486 2.641 10.75657 -2.31595 8.955136822 9.7424851178 0.090678708
+C      0.98095756     -0.11502623      0.22070758
+C      2.46258274      0.06201062     -0.05790200
+C      2.78747464      0.08737298     -1.55742302
+O      2.21643070      1.20375346     -2.24836100
+C      3.20957802      1.13504865      0.77102323
+C      4.07035799     -0.03370055      1.27768937
+O      3.25774215     -1.01371620      0.56255323
+H      0.79764659     -0.17516784      1.30181378
+H      0.60901667     -1.04163502     -0.24274889
+H      0.40455723      0.73611055     -0.17372125
+H      2.47677315     -0.87553820     -2.00339889
+H      3.87628932      0.17573254     -1.68530115
+H      1.26413516      1.03741288     -2.35338349
+H      2.59359060      1.61441233      1.54215534
+H      3.72008748      1.90614782      0.18119199
+H      5.11473506     -0.04105672      0.92358504
+H      4.05617494     -0.21742106      2.36360013 
+
+15
+-1551.8660328436883 10.137596 10.95505 -8.0969 -6.0004 -9.067 0.9577 0.0261 1.091 8.69183 -0.5965 5.8870288604 5.8870288604 0.24076032
+C      0.96751378     -0.01742086      0.34557001
+C      2.41091123     -0.06108392     -0.11883154
+C      2.84404532      1.21489179     -0.84133384
+O      4.22444463      1.15223461     -1.23099958
+C      4.52986456     -0.06958485     -1.79559062
+C      3.73495087     -1.15089982     -1.71706201
+O      2.55008543     -1.19059947     -1.01106902
+H      0.83020521      0.76912717      1.10018013
+H      0.68745249     -0.97909336      0.79488120
+H      0.29108808      0.17915941     -0.49842600
+H      3.09421895     -0.22271832      0.73596094
+H      2.74682156      2.09065901     -0.18569313
+H      2.21545117      1.35625661     -1.73913724
+H      5.48243080     -0.07591281     -2.32063478
+H      3.97381592     -2.09088520     -2.20991452 
+
+17
+-1696.1326370679596 10.459617 11.83006 -9.571 -7.4169 -11.406 0.9619 0.0611 2.928 10.76579 -2.63737 9.1332923054 10.745742634 0.08755307
+C      1.03196888     -0.09389573      0.14240299
+C      2.52760030      0.06859871     -0.07197767
+C      3.19509256      1.13346526      0.81672445
+O      4.49394235      0.59712520      1.07170054
+C      4.25214308     -0.79644864      1.23288904
+C      5.51501176     -1.58899641      0.99734205
+O      3.24109283     -1.14302345      0.27301871
+H      0.64097808     -0.91190683     -0.47694689
+H      0.50155374      0.82863926     -0.13898444
+H      0.81067675     -0.31881540      1.19563348
+H      2.73558206      0.28053935     -1.13616758
+H      2.63135600      1.26235402      1.76243342
+H      3.31314644      2.10843920      0.32720056
+H      3.84576276     -0.97676246      2.25352124
+H      5.89989475     -1.38458447     -0.01009897
+H      5.30161486     -2.66119228      1.09210098
+H      6.27328280     -1.31389530      1.74199812 
+
+13
+-1436.8551150598423 10.008984 10.76984 -7.969 -5.9296 -8.163 0.8001 -0.2191 0.499 7.70723 0.04736 4.403114818 6.5934018996 0.430513778
+C      0.91410927      0.04931685     -0.00839012
+C      2.40907311     -0.01361822     -0.00049515
+C      3.27917047      1.03709242      0.00378161
+O      4.59381276      0.58436772      0.01019141
+C      4.51960602     -0.76750682      0.00984968
+O      5.73541085     -1.36571117      0.01611459
+C      3.22347382     -1.20703932      0.00344373
+H      0.56186990      1.08920786     -0.00127196
+H      0.48818972     -0.45699584      0.87115271
+H      0.49807348     -0.44148328     -0.90141959
+H      3.15979179      2.11399720      0.00324202
+H      5.59326025     -2.32820138      0.01570106
+H      2.88292854     -2.23798603      0.00201001 
+
+17
+-1691.027650408921 10.241004 11.335 -9.7311 -7.6251 -11.778 0.8981 -0.0347 2.819 11.4368 -2.53968 9.4573173178 10.834144652 0.141924866
+C      0.97011584      0.00543357      0.08028669
+C      2.49731345     -0.00674555     -0.03611293
+C      3.02819334     -1.33054159     -0.60784034
+O      2.69656029     -1.46264707     -1.99989561
+C      3.22312258     -0.36797147     -2.72589304
+O      2.69107690      0.87762969     -2.31571310
+C      3.02236100      1.12062756     -0.93865106
+H      0.61525678      0.95794159      0.50052548
+H      0.61910246     -0.80431186      0.73670979
+H      0.50312673     -0.12760852     -0.90471808
+H      2.94338571      0.12950627      0.96549441
+H      2.58384139     -2.20043128     -0.10387122
+H      4.12974496     -1.38015368     -0.48845379
+H      4.33173102     -0.35041000     -2.61529945
+H      2.93693576     -0.51022686     -3.77531925
+H      4.12359257      1.20527158     -0.83728560
+H      2.57366921      2.09089761     -0.68292290 
+
+15
+-1546.060046811129 10.387878 11.09134 -9.9068 -7.6596 -9.593 1.1236 -0.3789 1.173 8.99393 -0.55307 6.523337411 6.523337411 0.394594917
+C      1.04012938      0.00905538      0.10552803
+C      2.37074096     -0.00883098     -0.02047467
+C      3.18970116     -1.27406300     -0.06753521
+O      4.12701181     -1.23606779     -1.16060257
+C      4.91401289     -0.06283167     -1.08697795
+O      4.15337123      1.12281450     -1.21721730
+C      3.21762809      1.23413560     -0.12780798
+H      0.48332449      0.94799888      0.14258991
+H      0.46260767     -0.91441893      0.18739947
+H      2.56307583     -2.16253901     -0.21896397
+H      3.75082667     -1.39421996      0.88377342
+H      5.46726440     -0.04580785     -0.11992641
+H      5.60848586     -0.09094150     -1.93519630
+H      3.78171489      1.38735692      0.81697375
+H      2.61083467      2.12800941     -0.32216222 
+
+13
+-1442.5373664378073 9.821569 10.51818 -9.9826 -7.7887 -9.947 0.7993 -0.8318 0.147 10.28284 0.53802 4.3493172926 6.422908751 0.276505063
+C      1.01402165      0.01124342      0.05292174
+C      2.34826364     -0.03045820      0.02531489
+C      3.26806100      1.17004006      0.08316388
+O      4.54192454      0.73105454     -0.45349074
+C      4.57316028     -0.63908495     -0.59222329
+O      5.54473763     -1.21854465     -1.01152354
+C      3.24234177     -1.22620062     -0.13159683
+H      0.41272370     -0.89724339      0.00264800
+H      0.47766187      0.95861924      0.13284604
+H      3.43853615      1.51556524      1.11670651
+H      2.91499686      2.01626435     -0.52190290
+H      2.88584685     -1.97681049     -0.84759096
+H      3.42333407     -1.74505456      0.82514719 
+
+15
+-1553.979670605049 10.235193 11.0288 -8.5586 -6.421 -8.847 0.9059 -0.0321 1.194 8.37861 -0.59804 5.8243787346 5.8243787346 0.274009149
+C      1.03055374      0.00041210      0.14565435
+C      2.51806858      0.04237085     -0.03829482
+C      3.22441693      1.18624605     -0.00069747
+O      4.59374104      1.24997360     -0.11274816
+C      5.18499271     -0.04266522      0.08567980
+O      4.60112923     -1.03289511     -0.71806347
+C      3.23156321     -1.24968983     -0.33274185
+H      0.74526876     -0.63848837      0.99802854
+H      0.52504504     -0.41005518     -0.74462756
+H      0.62448605      1.00383972      0.33192243
+H      2.77542244      2.17387006      0.12007534
+H      6.23620296      0.04823018     -0.21004130
+H      5.08154799     -0.29588680      1.16006908
+H      3.18205020     -1.94830275      0.52854031
+H      2.76524114     -1.75747930     -1.19302523 
+
+13
+-1447.4247408420154 9.674559 10.50646 -9.0901 -6.9889 -9.472 1.1063 -0.6504 0.132 10.32783 0.50875 4.3649147314 12.1922005058 0.310669298
+C      0.96335279      0.00177206      0.10429538
+C      2.44662282      0.02299497     -0.04796281
+C      3.27478824     -1.01650716     -0.22035151
+O      4.62623486     -0.67347671     -0.33203508
+C      4.71515372      0.72048418     -0.22534210
+O      5.76963934      1.29816125     -0.28706882
+C      3.30129465      1.25947641     -0.03361366
+H      0.57306890     -1.02363313      0.05921555
+H      0.47082395      0.58759984     -0.68827009
+H      0.65299500      0.44115928      1.06583618
+H      3.07679001     -2.08323750     -0.28842283
+H      3.07021946      1.97208950     -0.84160322
+H      3.25213626      1.82588700      0.91023301 
+
+17
+-1673.2242799682836 10.330021 11.46379 -9.5418 -7.2971 -11.431 0.7754 -0.2518 2.489 10.89832 -2.17498 9.0809950106 13.5952880748 0.129966584
+C      0.83745011     -0.12507784      0.15120673
+C      2.34705364     -0.00816518     -0.01542756
+C      2.77739944      0.00438175     -1.48672119
+O      2.30093147      1.13738914     -2.21910475
+C      3.06729839      1.08419340      0.81219936
+O      4.00742762      0.11092431      1.35913939
+C      3.22316696     -0.98340619      0.80949041
+H      0.55861937     -0.16326443      1.21388802
+H      0.45316642     -1.03807700     -0.33128023
+H      0.31524703      0.73916013     -0.28884389
+H      2.46430855     -0.94252927     -1.96903591
+H      3.87520647      0.06001192     -1.54385781
+H      1.34007763      1.03989631     -2.33393422
+H      2.44748349      1.53431756      1.60794557
+H      3.57407130      1.87802058      0.24195082
+H      3.84811405     -1.69420214      0.24170667
+H      2.67358806     -1.52873306      1.59798858 
+
+15
+-1587.500553605212 9.795959 10.90479 -9.936 -7.8608 -11.272 0.7138 -0.2366 0.218 10.25106 0.42563 4.3525161314 12.2677575742 0.123651328
+C      0.95854154      0.02002824     -0.06825820
+C      2.47849769     -0.02859145      0.04718585
+C      3.07057995      1.07904187      0.93420118
+O      4.34661524      0.57947830      1.40965180
+C      4.37037935     -0.79669477      1.32796925
+O      5.31477974     -1.44502374      1.71007748
+C      3.06154800     -1.27868467      0.71352437
+H      0.58475992     -0.78531962     -0.71581899
+H      0.62014408      0.97423988     -0.49863059
+H      0.48489822     -0.09297583      0.91910523
+H      2.92384501      0.06722203     -0.95767991
+H      2.42950627      1.28236175      1.80955066
+H      3.26073888      2.02071378      0.40327715
+H      3.24521211     -2.12611661      0.04301682
+H      2.41805400     -1.63591916      1.53593790 
+
+17
+-1725.7486006706904 11.058465 12.79254 -9.8325 -7.6395 -11.009 0.9602 0.1117 2.764 10.74287 -2.43597 8.7497664116 10.4315373128 0.267837306
+C      1.13566444     -0.14108654     -0.06190806
+C      2.59896025      0.07903969     -0.33470086
+O      3.00129717      0.12568265     -1.72708884
+C      3.12671911      1.32371258     -0.92719812
+C      4.51236244      1.83232381     -0.66963905
+C      5.70580585      0.91992320     -0.79750848
+C      5.47526912      2.00536581     -1.82388323
+H      0.90138640      0.09869588      0.98631174
+H      0.86217133     -1.19191430     -0.23652266
+H      0.51637711      0.48913310     -0.71428536
+H      3.29557436     -0.49355230      0.29251138
+H      2.39131605      2.09844570     -1.18851865
+H      4.55543161      2.59564911      0.11276122
+H      5.51117308     -0.10395338     -1.11936305
+H      6.52165012      1.04108446     -0.08476877
+H      6.13058418      2.87660402     -1.82195173
+H      5.12988739      1.68607652     -2.80802748 
+
+15
+-1525.9661860987817 10.024302 11.65862 -10.0242 -7.9058 -11.639 1.0273 0.1715 2.428 11.41813 -2.11891 9.0234903038 10.5783863312 0.524767458
+C      0.92476518      0.16782742     -0.19412525
+C      2.39300853      0.16435130      0.13156453
+O      3.18650340     -0.91265630     -0.42406630
+C      3.42953044      0.43726125     -0.88146796
+C      4.75528685      1.01628160     -0.50886097
+C      5.78625937      1.28028384     -1.52697588
+O      5.00390241      2.35979212     -0.97807698
+H      0.48633382      1.14989599      0.03565446
+H      0.39500804     -0.58786564      0.40312368
+H      0.75824254     -0.05215474     -1.25679721
+H      2.65053598      0.39491792      1.17426831
+H      3.10619442      0.64512555     -1.91012310
+H      5.07937866      0.81662512      0.52011467
+H      5.57735855      1.03931008     -2.57489092
+H      6.84145181      1.27340449     -1.23514109 
+
+17
+-1730.5839348177897 11.741292 13.02054 -9.2156 -7.0477 -9.186 1.1803 -0.0444 1.265 8.59243 -0.6334 6.304130163 6.304130163 0.428894569
+C      1.01603289     -0.15665084     -0.04706543
+C      2.50930030      0.02068186     -0.00301575
+O      3.25483055     -0.42477928     -1.15732622
+C      3.23246873      0.98555166     -0.86896600
+C      4.50294983      1.64700306     -0.44853070
+C      4.38081436      3.11673294     -0.14634721
+C      5.65121505      0.96010391     -0.35919425
+H      0.53238864      0.45609493      0.72863052
+H      0.74755089     -1.20726201      0.13742368
+H      0.61653140      0.13369597     -1.02822475
+H      3.00026622     -0.22824991      0.94741283
+H      2.61165401      1.57110464     -1.56358613
+H      4.02970781      3.67466718     -1.02973382
+H      5.34373674      3.54055926      0.16621254
+H      3.64641300      3.29958990      0.65508042
+H      5.68384293     -0.10123556     -0.60790910
+H      6.57535666      1.44592228     -0.04247062 
+
+17
+-1726.8677417592853 11.678276 13.08511 -9.654 -7.4637 -9.764 1.54 -0.0666 1.123 9.23226 -0.56544 6.6813327708 6.6813327708 0.452914312
+C      0.93342926     -0.26367006     -0.07759426
+C      2.42805205     -0.15872690     -0.21411839
+O      2.96926209     -0.23209636     -1.55851500
+C      3.09878141      1.00277835     -0.82201656
+C      4.50686204      1.42260360     -0.44303875
+C      4.51709874      2.53120194      0.57161429
+C      5.09031272      2.46177881      1.77814828
+H      0.61474667      0.08628987      0.91588516
+H      0.60564234     -1.30740560     -0.19029770
+H      0.42810798      0.34050924     -0.84326177
+H      3.01336345     -0.73333454      0.51704019
+H      2.45499481      1.81051118     -1.19879810
+H      5.01767390      1.75873041     -1.36333505
+H      5.05824575      0.54661438     -0.06889812
+H      4.00789873      3.45729944      0.27925097
+H      5.61106723      1.55989088      2.11065873
+H      5.06591084      3.30408535      2.47095607 
+
+15
+-1570.0675906779813 11.290056 13.03406 -9.894 -7.6297 -9.856 0.8814 -0.0177 2.172 9.44541 -1.8471 4.3791483242 10.2496870466 0.531971278
+C      1.00663918     -0.11027140      0.03745127
+C      2.48972933      0.09811344     -0.10931288
+O      3.08231222     -0.27191025     -1.37935064
+C      3.06844179      1.11728784     -1.00190131
+C      4.41429640      1.76352009     -0.70996943
+C      5.09951007      2.22840224     -1.91120778
+C      5.65027561      2.61805047     -2.91974008
+H      0.62497608      0.44285374      0.90882419
+H      0.78001842     -1.17552213      0.18883638
+H      0.47271511      0.23182623     -0.85902501
+H      3.09837307     -0.20563052      0.75414379
+H      2.38112547      1.73481738     -1.59458584
+H      5.04816056      1.03874220     -0.17398940
+H      4.25420895      2.61783026     -0.02874405
+H      6.14374773      2.95485042     -3.80824919 
+
+17
+-1676.8335087692576 10.55863 12.13951 -9.6976 -7.6012 -11.824 0.9156 -0.1314 2.68 11.55379 -2.41343 9.1998107944 10.8820280452 0.281857856
+C      0.87764277     -0.28425211     -0.15154904
+C      2.37816526     -0.21658984     -0.24752646
+O      2.94600670     -0.21954262     -1.57997367
+C      3.09398470      0.96601217     -0.76210877
+C      4.49854853      1.31572504     -0.33153778
+C      4.54206236      2.37723444      0.77051971
+O      3.97664122      3.63444098      0.37402162
+H      0.54429562     -0.02228492      0.86431599
+H      0.52096797     -1.30083660     -0.37309861
+H      0.41017016      0.40928689     -0.86332838
+H      2.92741887     -0.85892773      0.45606280
+H      2.48047641      1.81278820     -1.09510533
+H      5.06756228      1.67450080     -1.20816842
+H      5.00973150      0.40454188      0.01992965
+H      5.58276929      2.50540768      1.12050136
+H      3.94283461      2.05364023      1.63560580
+H      4.54247175      4.00455550     -0.32647045 
+
+17
+-1680.556148371146 10.470774 11.91135 -9.7704 -7.6433 -11.546 0.8738 -0.0364 2.414 10.92345 -2.11014 8.9195652386 10.8274370094 0.187878715
+C      1.11453786     -0.07340115     -0.14255248
+C      2.59879855      0.17886296     -0.13785415
+O      3.36791469     -0.30956223     -1.26397541
+C      3.30124258      1.13313698     -1.02648561
+C      2.59313892      1.94663678     -2.08390261
+C      4.64094784      1.68382559     -0.56478105
+O      5.61414007      1.65517997     -1.61197437
+H      0.62400918      0.55016152      0.62013599
+H      0.91212437     -1.12564486      0.10541417
+H      0.66065433      0.13981530     -1.11747911
+H      3.08301611     -0.02371572      0.82874220
+H      1.74166474      1.40519844     -2.51035305
+H      3.29464976      2.18522751     -2.89535707
+H      2.23277311      2.89578713     -1.65851585
+H      4.98830944      1.11121665      0.31420141
+H      4.54173619      2.74022968     -0.27071045
+H      5.68380226      0.72264545     -1.89045258 
+
+15
+-1552.6067115756935 10.155347 11.43023 -9.4518 -7.418 -10.811 0.8713 -0.9481 -0.064 9.82753 0.75688 3.7390829978 11.1460190364 0.189176384
+C      0.90173413     -0.03666163     -0.33513345
+C      2.13932063      0.70619539      0.08777562
+O      3.30485775     -0.06793528      0.41372124
+C      3.35066113      0.75561980     -0.77299931
+C      4.25041680      1.96305055     -0.78201198
+C      4.85059910      2.40548205      0.53082541
+O      4.47051071      2.52783668     -1.84622045
+H      0.20962467      0.64297578     -0.85298355
+H      0.38237941     -0.44484062      0.54368063
+H      1.15259349     -0.86632465     -1.00869877
+H      1.97540531      1.55657713      0.76366198
+H      3.31635689      0.21977771     -1.72865668
+H      4.09144670      2.47792744      1.32262133
+H      5.35842326      3.36599829      0.39544168
+H      5.57044003      1.64471135      0.87050629 
+
+15
+-1545.7748314397243 10.035768 11.41422 -9.7953 -7.5946 -11.23 1.0389 -1.0426 -0.279 10.35683 0.89695 3.677982697 10.964267959 0.228736794
+C      0.82663656     -0.19377495      0.03572101
+C      2.24991767     -0.15888507     -0.44801059
+O      2.48273595      0.38061109     -1.77407700
+C      2.99588454      1.09743133     -0.62930734
+C      4.49790811      1.16665509     -0.51786763
+C      5.00947223      1.59637410      0.83590139
+O      4.30935323      1.86952535      1.79354903
+H      0.80051677     -0.34649711      1.12458749
+H      0.27702675     -1.01975922     -0.43807181
+H      0.31057486      0.74630291     -0.19974880
+H      2.84408596     -1.05970403     -0.23907363
+H      2.46563607      2.03132181     -0.40736343
+H      4.91550138      1.86776824     -1.26455442
+H      4.95502057      0.19143855     -0.76222908
+H      6.12720934      1.65415191      0.90881482 
+
+17
+-1735.5307708830421 10.793175 11.97959 -9.0246 -6.9937 -11.203 0.9471 0.081 2.869 10.48059 -2.6033 9.0528129928 13.2962958358 0.134429722
+C      0.98513199     -0.00024124      0.03576599
+C      2.50054427      0.06775910      0.09170796
+O      3.04978217     -1.00102788      0.93957966
+C      3.87330938     -0.24042232      1.86033844
+C      4.60057902      0.77331860      0.94304280
+C      3.13529908      1.29042115      0.77838159
+C      2.95272155      0.92724096      2.28803846
+H      0.66707796     -0.99206034     -0.31435345
+H      0.59769798      0.74969605     -0.67017573
+H      0.53000294      0.17437663      1.02001345
+H      2.91137923     -0.05892969     -0.92685328
+H      4.37314512     -0.92648722      2.55342434
+H      5.11329710      0.37083433      0.05772546
+H      5.24025639      1.47620086      1.49162066
+H      2.89511186      2.27897789      0.36781404
+H      3.45043685      1.64961568      2.94719312
+H      1.95289709      0.67264743      2.66383649 
+
+15
+-1596.0765699344959 10.975724 11.75751 -8.3914 -6.346 -9.034 0.8855 0.0419 1.432 8.42448 -0.84314 6.2902809268 6.2902809268 0.433398064
+C      1.09563981     -0.03671910      0.06716169
+C      2.42761237      0.06725200      0.02343094
+O      3.30639411     -1.01390200      0.08162104
+C      4.60379281     -0.32361180     -0.00834884
+C      4.36362556      0.68526826     -1.15235744
+C      3.34899014      1.25193242     -0.09288000
+C      4.42474346      0.84862689      0.98072732
+H      0.60876622     -1.00670022      0.15418225
+H      0.48075243      0.85899435      0.01595386
+H      5.40573814     -1.06788501      0.02571063
+H      3.96131438      0.29330485     -2.09572098
+H      5.21332581      1.35894507     -1.31956997
+H      2.90104207      2.24851201     -0.15629050
+H      5.27968634      1.53616073      0.99454296
+H      4.07895635      0.60660156      1.99428704 
+
+15
+-1541.2145728959947 9.640979 10.78235 -9.3672 -7.2213 -10.884 0.9757 0.0791 3.071 10.60976 -2.81875 8.5410731764 10.7607325414 0.14469317
+C      0.96839193      0.05029210      0.32140691
+C      2.41917142     -0.01921680     -0.12574501
+O      2.72275920     -1.26849548     -0.77599381
+C      2.52305011     -1.03726607     -2.16325090
+C      3.67873685     -0.38690880     -2.89673870
+C      2.53513954      0.44674807     -2.35464687
+O      2.74140732      1.01915039     -1.07103475
+H      0.77250470      1.01588571      0.80689263
+H      0.75814780     -0.75664337      1.03630536
+H      0.29572456     -0.05587527     -0.54115406
+H      3.11497845      0.08431861      0.72113999
+H      1.82887001     -1.71958474     -2.65660484
+H      4.62799995     -0.32596940     -2.36412152
+H      3.73537782     -0.52676602     -3.97765980
+H      1.85104033      0.99267107     -3.00641463 
+
+19
+-1872.4875236077492 11.54229 12.84807 -9.2618 -7.138 -11.286 0.8616 -0.0506 2.659 10.65661 -2.33778 9.034797827 10.2789229454 0.111973254
+C      0.96581088      0.08011739      0.06918162
+C      2.46551537     -0.10289915      0.02644904
+O      3.19237743      0.94594231      0.74262903
+C      4.11551364     -0.04336147      1.27840201
+C      3.19297229     -1.21293144      0.85390269
+C      2.38228713     -1.76598677      2.02558884
+C      3.83172209     -2.33270931      0.03930273
+H      0.46446469     -0.73485175     -0.47459754
+H      0.69379272      1.02637431     -0.42044978
+H      0.58635593      0.10610726      1.09899848
+H      2.80564046     -0.13008492     -1.02868845
+H      5.08515829     -0.02063296      0.74769292
+H      4.28280656      0.09703168      2.35864253
+H      1.95138325     -0.96075199      2.63700470
+H      3.02816209     -2.37285901      2.67862042
+H      1.56023296     -2.41032808      1.67810011
+H      4.42466394     -1.93261688     -0.79619236
+H      3.06375321     -3.00162262     -0.37987508
+H      4.49765706     -2.94788660      0.66409809 
+
+17
+-1727.2334064370689 11.774914 12.87472 -9.4045 -7.2669 -9.577 1.4286 -0.1738 1.122 9.04845 -0.54694 6.5578551134 6.5578551134 0.482728323
+C      0.96568318     -0.30643236      0.45156446
+C      2.36724376      0.05102531      0.01812824
+O      2.85860850      1.29357538      0.61544709
+C      4.13136515      0.65852600      0.91900170
+C      3.56741533     -0.74852326      0.60546304
+C      4.33419966     -1.64987224     -0.29824520
+C      4.61787707     -2.93372419     -0.04392087
+H      0.66863050     -1.26890084      0.00842692
+H      0.25207153      0.45918466      0.11457692
+H      0.90238591     -0.38367811      1.54632134
+H      2.42722479      0.11691696     -1.08611439
+H      4.92465968      0.98174629      0.22042498
+H      4.45221822      0.84957629      1.95424407
+H      3.26997738     -1.27734195      1.52418280
+H      4.67572682     -1.20484816     -1.24154373
+H      4.29735419     -3.41391485      0.88443985
+H      5.17938834     -3.54589494     -0.75081721 
+
+15
+-1570.6148188513266 11.238236 12.53668 -9.6157 -7.4563 -9.868 0.9741 0.0522 2.097 9.46347 -1.71666 4.3493172926 10.218740141 0.385558314
+C      0.98618570      0.08164774      0.10671024
+C      2.48385989     -0.05938097     -0.00548893
+O      3.21870186      0.98327411      0.71024456
+C      4.14171050     -0.00078452      1.24736196
+C      3.20758604     -1.16494669      0.82526891
+C      3.76496931     -2.30928204      0.13918201
+C      4.24052026     -3.25643458     -0.45457355
+H      0.48907264     -0.75444282     -0.40688664
+H      0.65562608      1.01739992     -0.36605673
+H      0.67052743      0.09365735      1.15945723
+H      2.80401656     -0.09057639     -1.06348512
+H      5.10311629     -0.00309089      0.70631873
+H      4.31204550      0.13565691      2.32523011
+H      2.57357069     -1.48690025      1.66640595
+H      4.65772124     -4.09445688     -0.97437874 
+
+17
+-1676.073666288487 10.458705 11.80064 -9.5522 -7.3754 -11.52 0.925 -0.1467 2.622 10.87635 -2.34673 9.1709220564 10.1205928234 0.093890307
+C      0.99035873      0.13893071      0.12820828
+C      2.47593736     -0.09351163     -0.03232745
+O      3.28462459      0.96960985      0.57204805
+C      4.07237711     -0.00719443      1.30738269
+C      3.16725456     -1.16806033      0.84474091
+C      3.82030352     -2.33459737      0.12147167
+O      4.53412070     -3.21533690      0.99793634
+H      0.42432146     -0.69765989     -0.30900907
+H      0.68869648      1.06054601     -0.38986412
+H      0.72087108      0.23251506      1.18970848
+H      2.73401087     -0.19526651     -1.10511444
+H      5.11097122     -0.05716921      0.92633976
+H      4.09289249      0.21551963      2.38569314
+H      2.51279889     -1.54581811      1.64425331
+H      4.48067142     -1.95458943     -0.68230135
+H      3.05020496     -2.96102487     -0.35531117
+H      5.29648454     -2.72694257      1.35531500 
+
+17
+-1680.268571940611 10.632038 12.00462 -9.7624 -7.5488 -11.048 0.7769 -0.2005 2.795 10.73032 -2.47355 8.591671863 10.9892759352 0.130684688
+C      1.02957871     -0.02031141     -0.01151111
+C      2.53984113      0.04619677      0.01261585
+O      3.09660612      0.06659048      1.31933514
+C      3.34618893     -0.62780910     -1.07601598
+C      3.26529370      0.89793396     -0.99605764
+C      4.50117415      1.68852223     -0.63906186
+O      5.35821326      1.89548294     -1.77403131
+H      0.64707282      0.01650671     -1.04088968
+H      0.60177446      0.82185122      0.55141405
+H      0.67102530     -0.95720378      0.44511227
+H      2.91906139     -0.80214336      1.72264704
+H      2.82317587     -1.14538737     -1.88170647
+H      4.28865617     -1.08220170     -0.76198394
+H      2.62957539      1.37962781     -1.74433029
+H      5.03881933      1.19483202      0.18790574
+H      4.22541872      2.69815036     -0.29998356
+H      5.55154456      1.01635221     -2.14622825 
+
+17
+-1683.7762142701397 10.609415 11.81605 -9.0302 -6.8862 -10.495 0.7703 -0.2496 2.727 10.18504 -2.38599 8.0564614968 10.0967503156 0.204473709
+C      0.92824112      0.06406253     -0.17188271
+C      2.42171120      0.00348598      0.02665163
+O      2.74422045     -0.11048388      1.39499496
+C      3.31239154     -0.72441888     -0.97736980
+C      3.40084090      0.78757729     -0.82771975
+C      2.98288861      1.72350718     -1.93540597
+O      4.48987968      1.28497223     -0.04852582
+H      0.65504360      0.06724401     -1.23432793
+H      0.50912307      0.96092006      0.30684740
+H      0.46651195     -0.81863083      0.29401954
+H      3.59743707      0.35976229      1.50046456
+H      2.86514121     -1.12454207     -1.88978085
+H      4.12573128     -1.31677426     -0.55383813
+H      2.10618257      1.34485181     -2.47624034
+H      3.79826166      1.84356146     -2.66646578
+H      2.73925732      2.71533169     -1.52769667
+H      5.31753677      1.04670339     -0.50303436 
+
+17
+-1681.5979637289638 10.444749 11.63788 -9.5702 -7.4219 -11.365 0.8999 -0.1041 2.519 11.10548 -2.22387 8.8342876678 10.3457885952 0.0854957
+C      0.96996942      0.07383397      0.04450727
+C      2.47153648     -0.08206851      0.03087649
+O      3.17409157      0.94898639      0.79435763
+C      4.13752805     -0.02991383      1.27229440
+C      3.21453608     -1.19527086      0.83595029
+C      2.43506016     -1.82536438      1.97464615
+O      3.78784282     -2.26134341      0.08876055
+H      0.49890059     -0.75296544     -0.50710003
+H      0.68487832      1.01426568     -0.44830262
+H      0.57589549      0.08951871      1.06923314
+H      2.84089293     -0.08579510     -1.01789121
+H      5.08253241      0.00853479      0.69706161
+H      4.35176456      0.08877628      2.34589338
+H      1.98024485     -1.05343158      2.60867511
+H      3.11415414     -2.42996444      2.59189561
+H      1.64366564     -2.48178341      1.58708449
+H      4.28277650     -1.87270486     -0.65520228 
+
+15
+-1544.43370609201 9.999192 11.08953 -9.7153 -7.5568 -11.123 0.8147 -1.1588 -0.22 10.21032 0.86047 3.6763832776 8.273895745 0.078816663
+C      0.98985315      0.08958801      0.16975894
+C      2.47090242     -0.11255801     -0.05676852
+O      3.28774612      0.95573817      0.50675709
+C      4.11334411      0.00242799      1.24304535
+C      3.22342630     -1.17124794      0.81685283
+C      3.84319560     -2.31094400      0.05856039
+O      5.03718672     -2.46518634     -0.12496057
+H      0.41950961     -0.75911761     -0.23665325
+H      0.65244078      1.00213093     -0.34214026
+H      0.76712839      0.18960185      1.24134593
+H      2.68604029     -0.22568575     -1.13644195
+H      5.13744701     -0.05429250      0.84237807
+H      4.13935264      0.23413030      2.31803613
+H      2.57200112     -1.57732717      1.60722836
+H      3.10252574     -3.03654796     -0.37086856 
+
+17
+-1744.5816788844058 10.858402 12.07261 -9.4482 -7.2896 -10.798 0.9585 0.0729 3.024 10.53044 -2.8446 8.7158810378 11.234185481 0.212794278
+C      0.97535927      0.33430545      0.42948052
+C      2.21442307     -0.21376904     -0.25742322
+O      1.82594190     -1.35412769     -1.05775202
+C      2.82355261     -1.53366991     -2.07570622
+C      3.32618596     -0.14061429     -2.40992789
+C      2.26337320      0.91932438     -2.57425278
+C      2.92548635      0.71841847     -1.23076070
+H      1.24590250      1.17043237      1.08966136
+H      0.49829001     -0.44537091      1.03830291
+H      0.24785599      0.69303435     -0.31217101
+H      2.95126141     -0.53707467      0.50862471
+H      3.66063903     -2.15867514     -1.70524619
+H      2.33555860     -2.05805007     -2.91201590
+H      4.29483670     -0.02789127     -2.89807657
+H      2.53231422      1.81576248     -3.13268258
+H      1.22924998      0.58863404     -2.69330379
+H      3.59130919      1.48425143     -0.83127064 
+
+15
+-1605.652121367836 11.150586 11.82319 -8.337 -6.2853 -8.852 0.9092 0.0189 1.38 8.28134 -0.79202 6.1019337942 6.1019337942 0.440863046
+C      1.08452755      0.04305880      0.25663852
+C      2.29046375     -0.06478979     -0.31985734
+O      2.62643224     -1.14807990     -1.11556588
+C      4.07006992     -1.24505718     -1.21730589
+C      4.61428557      0.12193780     -0.85967090
+C      4.02206256      1.28948306     -1.59536926
+C      3.43935011      0.87284170     -0.25305069
+H      0.82734726      0.94534703      0.80677199
+H      0.34435333     -0.74959066      0.16589941
+H      4.43278466     -2.00936234     -0.50811111
+H      4.29778240     -1.56925966     -2.24395107
+H      5.61204215      0.19388999     -0.42740799
+H      4.59519126      2.21628023     -1.60989439
+H      3.42330653      1.09519626     -2.48753390
+H      3.54411072      1.52819468      0.61014850 
+
+15
+-1545.8461792422424 9.716065 10.78682 -9.7111 -7.5208 -11.29 0.9336 0.0439 2.681 10.80403 -2.34489 8.7957280218 10.4797182724 0.160374971
+C      0.93666642      0.29333183      0.38836108
+C      2.22717392     -0.21089839     -0.23458357
+O      1.95667582     -1.46196706     -0.90690290
+C      2.82302880     -1.59096513     -2.04155665
+C      3.20808147     -0.18208178     -2.42968225
+O      2.07898569      0.71516825     -2.52943662
+C      2.83994853      0.67944589     -1.30064542
+H      1.12430600      1.20622755      0.97124163
+H      0.51940775     -0.46574219      1.06288660
+H      0.20110862      0.51217787     -0.39667659
+H      2.99912910     -0.36282309      0.55084637
+H      3.74180049     -2.15986996     -1.79262284
+H      2.26917032     -2.13247591     -2.82304139
+H      4.05043814      0.01517728     -3.09864755
+H      3.37760893      1.59324485     -1.03181991 
+
+13
+-1405.6322975918952 9.983457 10.47413 -8.8099 -6.7191 -9.307 1.4832 -0.1043 1.028 8.77774 -0.4685 6.1840249248 6.1840249248 0.430005642
+C      1.07409160      0.04026572      0.26174670
+C      2.27059329     -0.10842799     -0.32403201
+O      2.63686441     -1.25136123     -1.00652103
+C      4.07244632     -1.26771395     -1.21415081
+C      4.55253240      0.13001567     -0.90753292
+O      3.88694962      1.13329045     -1.69077818
+C      3.39819361      0.85362496     -0.34344918
+H      0.81705829      0.98991763      0.72495761
+H      0.33991198     -0.76293974      0.26393686
+H      4.53349723     -1.99755538     -0.52692943
+H      4.25524337     -1.57265654     -2.25452200
+H      5.58994067      0.32558925     -0.62399169
+H      3.46909719      1.67031115      0.37662608 
+
+13
+-1473.2252218384415 12.085023 11.49736 -7.7741 -5.9027 -8.125 -0.0613 -1.6083 -0.198 7.61769 0.78153 4.3502595862 4.3502595862 0.427635051
+C      0.89535160      0.17182086      0.00223860
+C      2.22611369      0.00285074     -0.00198438
+O      3.07136004      1.12522447     -0.00784090
+C      4.36263691      0.64487838     -0.01120739
+C      4.43969258     -0.70134450     -0.00805242
+C      3.07530676     -1.21330659     -0.00183965
+C      2.66090799     -2.50204074      0.00304957
+H      0.45864386      1.16806699      0.00119653
+H      0.23465878     -0.69181517      0.00674962
+H      5.13064759      1.41346581     -0.01591269
+H      5.34918136     -1.29366816     -0.00977939
+H      1.60344155     -2.76451855      0.00753685
+H      3.38067728     -3.31958354      0.00259566 
+
+17
+-1750.1836521368475 11.358875 12.22127 -8.2215 -6.1456 -8.876 0.9409 0.0496 1.298 8.44179 -0.72614 5.8572102274 5.8572102274 0.2347616
+C      1.00584622      0.02578646      0.06857095
+C      2.50925147     -0.04038631     -0.13990720
+O      2.80763564     -1.20027493     -1.00371633
+C      3.28293069     -0.68934288     -2.18307799
+C      3.45540161      0.63890318     -2.21043231
+C      3.11241075      1.20786532     -0.85175333
+C      4.32543480      1.80397304     -0.12136404
+H      0.75739225      0.84134948      0.76395135
+H      0.62715666     -0.91577038      0.48859249
+H      0.49458649      0.21471281     -0.88664840
+H      3.02330817     -0.24053545      0.81389358
+H      3.46697252     -1.43610009     -2.95420652
+H      3.82604162      1.21420194     -3.05461334
+H      2.33428449      1.98875023     -0.93088042
+H      5.11743702      1.04917128     -0.00721544
+H      4.04620059      2.16922782      0.87922377
+H      4.74550902      2.65115847     -0.68288682 
+
+15
+-1613.0342039688996 11.85955 11.84375 -7.8494 -5.8724 -8.185 0.8172 -0.6654 0.278 7.69751 0.25979 4.7659722456 4.7659722456 0.519195006
+C      1.00619124      0.06155589      0.11965018
+C      2.49744471     -0.02892605     -0.16192408
+O      2.73998498     -1.17347109     -1.06398097
+C      3.34697526     -0.66827569     -2.17295028
+C      3.57731398      0.66420639     -2.14738359
+C      3.08599388      1.18000352     -0.88295390
+C      3.11238758      2.44193713     -0.40625934
+H      0.81120191      0.89709387      0.80629168
+H      0.63884275     -0.86555992      0.57961278
+H      0.45422344      0.24464278     -0.81221233
+H      3.05633457     -0.25686208      0.76011197
+H      3.57000067     -1.40316413     -2.94470597
+H      4.04601613      1.24365035     -2.93759411
+H      2.71371867      2.69147351      0.57758470
+H      3.54228022      3.25537552     -0.99055675 
+
+19
+-1875.1166578195089 11.597463 13.10146 -9.1527 -7.0801 -11.238 0.8902 -0.01 2.837 10.58606 -2.5599 9.0796311646 9.757016277 0.104116238
+C      0.95416443      0.08526023      0.19451451
+C      2.43198224     -0.10697185     -0.06839285
+O      3.25137271      0.97269641      0.48601157
+C      4.15801649      0.00865263      1.11667373
+C      5.54994420      0.05546399      0.51421356
+C      3.21150235     -1.16743021      0.74176544
+C      3.74821884     -2.39134796      0.01648114
+H      0.38045938     -0.76459476     -0.20618961
+H      0.59097768      1.00020120     -0.29545012
+H      0.75780244      0.16847292      1.27319954
+H      2.61521821     -0.19653035     -1.15779712
+H      4.21751796      0.20361178      2.20217801
+H      5.53187804     -0.11196076     -0.57152594
+H      6.20158334     -0.70195597      0.97644099
+H      5.99563081      1.04353225      0.69711283
+H      2.62888872     -1.48086075      1.62249286
+H      4.32372423     -2.11845756     -0.87970390
+H      2.92161198     -3.04236700     -0.30587704
+H      4.40132593     -2.99130422      0.66792241 
+
+17
+-1749.5103646981372 11.517464 12.42537 -8.8317 -6.6117 -8.728 0.9266 -0.0231 1.376 8.21387 -0.70866 5.8705139252 5.8705139252 0.30288347
+C      0.89103796      0.14747934     -0.07490007
+C      2.38792916     -0.02690721      0.17118011
+O      2.61153198     -1.22328154      0.95053396
+C      3.48077949     -0.92524820      2.05698150
+C      3.66157665      0.56061893      2.02651973
+C      3.04959156      1.08568210      0.95720097
+C      3.00613982      2.51117736      0.51173170
+H      0.48638789     -0.75165724     -0.55894247
+H      0.70048083      1.00576614     -0.73635764
+H      0.35979415      0.30233820      0.87546121
+H      2.89702322     -0.14002729     -0.81209229
+H      4.44340982     -1.46366108      1.93877681
+H      3.01306886     -1.28941536      2.99079831
+H      4.23806122      1.10920741      2.77200538
+H      3.40435776      2.61661033     -0.51113515
+H      3.59511963      3.15770863      1.17555104
+H      1.97322000      2.89388946      0.48896689 
+
+17
+-1745.9215089866696 11.481446 12.46112 -9.344 -7.1473 -9.285 1.1848 -0.2036 1.296 8.65004 -0.64151 6.3546420594 6.3546420594 0.399538287
+C      1.01046078      0.09726895      0.12275963
+C      2.52173011     -0.03479100      0.03991532
+O      3.13215230      1.05691326      0.75895799
+C      4.44988237      0.61794708      1.10927809
+C      4.27733999     -0.84858622      1.52658690
+C      3.12279360     -1.29573950      0.65309926
+C      2.70875490     -2.54927689      0.44223374
+H      0.52514254     -0.70298385     -0.45235564
+H      0.69046113      1.06193952     -0.29354003
+H      0.67778504      0.03229891      1.16768506
+H      2.84028783      0.02190556     -1.02422317
+H      5.12935068      0.69934667      0.23716553
+H      4.81821052      1.27554248      1.90759563
+H      5.18219556     -1.45558054      1.38348344
+H      3.99046965     -0.90737633      2.58883262
+H      1.85539774     -2.77048585     -0.20186205
+H      3.20781526     -3.40159225      0.90646766 
+
+13
+-1434.542552446167 10.093317 10.72285 -7.9342 -5.92 -8.068 0.8595 -0.1264 0.453 7.60492 0.10715 4.3154815132 6.544910975 0.400975721
+C      0.94709883     -0.06751513     -0.00402605
+C      2.42102304      0.08667546     -0.00468186
+C      3.25185750      1.17935756     -0.00110817
+O      2.80625249      2.48033775      0.00458103
+C      4.60302626      0.69993787     -0.00452382
+C      4.50874294     -0.66356218     -0.01005009
+O      3.20058625     -1.05769321     -0.01029027
+H      0.48430804      0.92707471      0.00734047
+H      0.59385890     -0.62046509      0.88032536
+H      0.59049965     -0.60153093     -0.89867796
+H      3.57923693      3.06854280      0.00687781
+H      5.51783813      1.28614034     -0.00305888
+H      5.24504106     -1.45922994     -0.01398757 
+
+17
+-1695.1067335591847 10.365895 11.5441 -9.6499 -7.5323 -11.62 0.9123 -0.0946 2.696 10.89611 -2.40291 9.1709840494 12.7225506208 0.088805089
+C      1.02293955      0.05918196      0.08519861
+C      2.53588811     -0.02844235      0.05477107
+O      3.09816845      1.03049787      0.84380270
+C      4.44134181      0.62043638      1.13097710
+C      4.32040278     -0.86376828      1.49216802
+C      3.14776860     -1.35211205      0.60387651
+O      3.51137557     -2.26782037     -0.43447932
+H      0.58991643     -0.74780545     -0.52183558
+H      0.67825322      1.02077873     -0.31809275
+H      0.65448481     -0.03723704      1.11670442
+H      2.89411533      0.07652299     -0.99525715
+H      5.08493190      0.76664127      0.23848691
+H      4.82055766      1.25824471      1.94001348
+H      5.22965908     -1.44958995      1.29984272
+H      4.06349000     -0.97226576      2.55550813
+H      2.40687117     -1.90387327      1.19980742
+H      4.09960554     -1.79749940     -1.05369231 
+
+11
+-1295.4848266073072 10.018004 9.91341 -9.2484 -7.3447 -10.046 -0.7403 -2.4133 -1.197 9.3518 1.88798 3.3621779564 5.2032956648 0.29821058
+C      1.08957284     -0.05592736      0.10567725
+C      2.39894271      0.02534084     -0.14167468
+O      3.18039682     -1.09755949     -0.42598020
+C      4.45860155     -0.63200015     -0.62242904
+C      4.60556883      0.70597632     -0.49510292
+C      3.28359007      1.24943846     -0.17231538
+O      2.92449408      2.40582425      0.03312489
+H      0.55513821      0.86892794      0.31840031
+H      0.55375084     -1.00331578      0.10026573
+H      5.17973458     -1.41266135     -0.85486209
+H      5.52217947      1.27443632     -0.60848386 
+
+13
+-1429.9324520924317 10.146579 10.50182 -9.0275 -7.0027 -9.91 -0.1744 -1.8942 -0.676 9.63663 1.28794 3.5087170098 5.1451214336 0.32608805
+C      1.06248471      0.02721568      0.17861479
+C      2.36434866      0.02876657     -0.15337056
+O      3.11115273      1.15648018     -0.36497582
+C      4.40753386      0.78812823     -0.93633909
+C      4.62624905     -0.68454259     -0.60926156
+C      3.21383833     -1.19246100     -0.30771688
+O      2.85896890     -2.35252293     -0.19997804
+H      0.58489518     -0.93454507      0.35523316
+H      0.48756657      0.94531113      0.28121943
+H      4.36040501      0.96483350     -2.02269900
+H      5.14757326      1.46613722     -0.49477108
+H      5.08636164     -1.26702113     -1.41620866
+H      5.23185209     -0.82344979      0.29984332 
+
+17
+-1688.2078304541735 10.444528 11.61525 -9.5996 -7.411 -11.292 0.7964 -0.2175 2.585 10.95487 -2.2964 9.0401540222 9.0401540222 0.063209277
+C      1.02372323     -0.02982948     -0.04768856
+C      2.53687382     -0.03108299      0.05046589
+O      3.14643787     -0.14955314     -1.25265956
+C      3.26212837      1.04229151      0.91430036
+C      4.28641998     -0.03899500      1.35656336
+C      3.25455501     -1.11656317      0.91974067
+O      3.67379910     -2.30207133      0.28541899
+H      0.56666320      0.00875084      0.95154264
+H      0.67622011     -0.93978129     -0.55723020
+H      0.66105784      0.84358038     -0.61405178
+H      2.88817228      0.62545286     -1.77971123
+H      2.62806137      1.38890931      1.74319161
+H      3.65071547      1.91557552      0.37212778
+H      5.16481229     -0.05466248      0.69757455
+H      4.61544716     -0.04609792      2.40358373
+H      2.61345330     -1.41153467      1.76518450
+H      3.96526961     -2.03274894     -0.60811275 
+
+15
+-1559.019603219743 10.007954 10.98262 -9.1101 -7.0451 -10.446 0.7709 -1.0423 0.138 9.7255 0.63781 3.6851862836 8.3649262662 0.083274904
+C      1.09469942     -0.07316238      0.21911503
+C      2.57254642      0.10943025     -0.11890827
+O      2.78887198      0.30348427     -1.51320407
+C      3.32259797      1.15978722      0.75523241
+C      3.98448890      0.02634092      1.59868912
+C      3.48663290     -0.96451415      0.54032348
+O      3.78203110     -2.09319083      0.21860448
+H      0.93495731     -0.18550088      1.30160969
+H      0.69668359     -0.97164060     -0.27539174
+H      0.53026245      0.80304818     -0.13065485
+H      2.59390789     -0.54202089     -1.95900031
+H      2.68464751      1.86655192      1.29908203
+H      4.05250066      1.70800119      0.14745862
+H      5.07269015      0.05609657      1.74272790
+H      3.50745175     -0.14311078      2.57590648 
+
+15
+-1558.704482773764 10.198673 10.86844 -8.7204 -6.6989 -9.267 1.2543 0.0181 0.993 8.82578 -0.44898 5.9162895564 5.9162895564 0.240588524
+C      0.96591645     -0.00160852      0.02166149
+C      2.47908851     -0.03581440     -0.09878237
+O      2.85049256     -1.19281521     -0.93719410
+C      3.31920847     -0.67321276     -2.10753192
+C      3.43117043      0.66696673     -2.15020626
+C      3.08932733      1.21382905     -0.79350762
+O      4.22970691      1.76382669     -0.10143754
+H      0.66343036      0.81241437      0.69603460
+H      0.58610261     -0.94839078      0.42712585
+H      0.50353428      0.16911512     -0.96136539
+H      2.95896295     -0.19078764      0.87883741
+H      3.54968175     -1.41655071     -2.87032852
+H      3.77759416      1.25754700     -2.99337162
+H      2.35948503      2.03832325     -0.81102930
+H      4.99477819      1.21022782     -0.34618472 
+
+17
+-1682.1027466284972 10.457591 11.81781 -9.4758 -7.366 -11.382 0.9203 -0.1063 2.648 11.18339 -2.39379 8.9246734618 12.410068705 0.11503217
+C      0.95648943      0.05902506      0.14900175
+C      2.44809966     -0.08814856     -0.04289559
+O      3.22601269      0.95649548      0.63004112
+C      4.17892153     -0.02755138      1.15119805
+C      5.52535273      0.03519005      0.45348572
+C      3.22080098     -1.17806773      0.73398300
+O      3.70964654     -2.32025035      0.05939639
+H      0.43181843     -0.78089142     -0.33029042
+H      0.59504623      0.99201158     -0.30630457
+H      0.70173113      0.07393724      1.21829376
+H      2.69706900     -0.11393187     -1.12413030
+H      4.30599522      0.10278101      2.23923471
+H      5.42885207     -0.06226555     -0.63893153
+H      6.19116460     -0.75901552      0.82214874
+H      6.00115590      1.00491089      0.65372372
+H      2.64246720     -1.56216355      1.58638330
+H      4.24996665     -2.01868538     -0.69315785 
+
+15
+-1554.002042146231 10.04529 11.28697 -9.582 -7.4436 -10.547 0.6875 -1.1229 0.102 9.83032 0.67334 3.7109753716 12.8728960444 0.148259442
+C      0.94392345      0.05558257      0.25207980
+C      2.38823479     -0.08273340     -0.18989477
+O      3.28188229      0.95480156      0.33557457
+C      4.15101228     -0.00568888      1.02346389
+C      5.59276602      0.01145309      0.55165422
+C      3.25086295     -1.13894292      0.51362603
+O      3.22892345     -2.34054553      0.62273593
+H      0.35921587     -0.79638255     -0.12265254
+H      0.51155119      0.97996229     -0.15417274
+H      0.86620676      0.08418569      1.34720273
+H      2.46185331     -0.14014158     -1.29221742
+H      4.09047301      0.12684745      2.11991978
+H      5.65584858     -0.14841475     -0.53309355
+H      6.15884616     -0.78164345      1.06026988
+H      6.05641990      0.97811039      0.79056420 
+
+15
+-1569.3538603219185 9.853784 10.92966 -9.2552 -7.1771 -10.63 0.8357 -0.9563 0.164 9.77012 0.58722 3.7393061726 11.599448237 0.200218204
+C      1.02400922      0.03957257      0.09330070
+C      2.53856967      0.00440016      0.02072503
+O      3.11922283      1.05203747      0.80842151
+C      4.45162116      0.62508434      1.15789300
+C      4.33004746     -0.86884626      1.45734150
+C      3.17074065     -1.29113185      0.55568412
+O      2.80943354     -2.42203393      0.29707700
+H      0.61541012     -0.82192148     -0.45100649
+H      0.63599657      0.96274267     -0.35497603
+H      0.69040906     -0.01199442      1.13855572
+H      2.87184196      0.09741504     -1.03809022
+H      5.14391459      0.80273997      0.31193304
+H      4.77304925      1.23531073      2.01073808
+H      5.22521124     -1.47026215      1.25519996
+H      4.02653266     -1.04706287      2.50133309 
+
+13
+-1478.0357420532673 12.173329 11.34043 -7.4189 -5.5594 -7.684 0.2322 -1.333 -0.219 7.20525 0.8109 3.6516108748 10.4869714534 0.429724776
+C      0.90770892      0.07566295     -0.00116912
+C      2.25484920     -0.02353644     -0.00139272
+O      2.98844523      1.18333120     -0.00292638
+C      4.34784079      1.15406022     -0.00313189
+C      5.07916193      0.01833331     -0.00185909
+C      4.37795169     -1.24414917     -0.00034549
+C      3.02058023     -1.25199493     -0.00016373
+H      0.41088005      1.04289600     -0.00215307
+H      0.30610184     -0.82958419      0.00001613
+H      4.75892455      2.16317347     -0.00448747
+H      6.16531244      0.07768040     -0.00232738
+H      4.93906277     -2.17908238      0.00055017
+H      2.45379035     -2.18329045      0.00076006 
+
+13
+-1479.8433268765668 13.393111 11.8976 -7.8692 -6.0124 -7.956 -0.2345 -1.7116 -0.424 7.36708 0.94927 4.1363465404 4.1363465404 0.736882157
+C      0.89911212      0.04837175     -0.00101281
+C      2.24452513     -0.03720007      0.00186871
+O      3.04607961      1.10130473      0.00716204
+C      4.37796853      0.69539510      0.00903050
+C      5.38699261      1.58946365      0.01407359
+C      4.40005977     -0.75435578      0.00471922
+C      3.11774447     -1.19467732      0.00039527
+H      0.39418866      1.01171716      0.00072682
+H      0.30458540     -0.86173486     -0.00512669
+H      6.41521553      1.23659304      0.01540029
+H      5.19355583      2.65977482      0.01685351
+H      5.31127902     -1.34677200      0.00505496
+H      2.76267333     -2.22190022     -0.00352541 
+
+15
+-1612.3769228927322 12.112282 11.96202 -8.2185 -6.2389 -8.322 0.6953 -0.8294 0.296 7.80559 0.24861 4.9843115916 4.9843115916 0.687956746
+C      0.90756562      0.05021833      0.14207521
+C      2.25643246      0.02109202      0.08060200
+O      2.95696450      1.17532835      0.36826233
+C      4.27911338      1.24620946     -0.20548188
+C      5.13390003      0.04038276      0.16595937
+C      4.36839215     -1.21814588     -0.12397648
+C      3.02273059     -1.19084506     -0.19223315
+H      0.37584304      0.97306617      0.36661705
+H      0.33910059     -0.86577408     -0.00327606
+H      4.70137700      2.18561295      0.17405483
+H      4.18917904      1.31708560     -1.30453939
+H      5.42117983      0.08229539      1.23193197
+H      6.07246005      0.07263183     -0.41098834
+H      4.91360694     -2.15174223     -0.27708021
+H      2.44715480     -2.08967562     -0.41984725 
+
+19
+-1895.1352589090861 11.39871 12.61639 -9.7567 -7.5952 -11.682 0.8583 -0.1368 2.807 11.20803 -2.48124 9.3600007064 10.628513871 0.095795291
+C      0.97111085      0.01628840     -0.04432828
+C      2.49132052      0.00434162      0.03664383
+O      2.93977198      0.14315637     -1.33644280
+C      3.08783963      1.13088499      0.90650045
+C      4.52441500      0.66414801      1.17646083
+C      4.38024231     -0.85794011      1.42010970
+C      3.08013254     -1.28196750      0.67907698
+H      0.52857025     -0.05780453      0.95844939
+H      0.61311278     -0.82823430     -0.65001289
+H      0.62205204      0.94567713     -0.51592775
+H      3.91272816      0.12654233     -1.33518477
+H      2.53002862      1.19012451      1.85659450
+H      3.01444146      2.10647360      0.40561882
+H      5.16018494      0.86193564      0.29560590
+H      4.99848380      1.18705970      2.01877954
+H      5.26337932     -1.41692880      1.07970058
+H      4.28206610     -1.05489761      2.49808318
+H      3.25156045     -2.03365879     -0.10455511
+H      2.35491924     -1.71476067      1.38423789 
+
+15
+-1610.6127256360317 11.104743 11.51755 -8.5615 -6.4578 -8.47 0.2944 -1.2776 0.408 8.02201 0.112 4.5266172726 7.2943567506 0.493625468
+C      0.95116865     -0.00377063      0.06649573
+C      2.48465416     -0.00215453      0.10228111
+O      2.84444401     -0.00250764      1.50190552
+C      3.05722619      1.18441757     -0.66418332
+C      3.78425530      0.74048906     -1.70938387
+C      3.78584754     -0.74008560     -1.71017153
+C      3.05979750     -1.18668322     -0.66541453
+H      0.58841253     -0.00354718     -0.96947902
+H      0.56839204      0.88753438      0.58229276
+H      0.57028041     -0.89648305      0.58125255
+H      3.81818128     -0.00155671      1.54192832
+H      2.86071344      2.21648415     -0.37768028
+H      4.29700781      1.35461695     -2.44993015
+H      4.29997425     -1.35231919     -2.45133563
+H      2.86555488     -2.21947436     -0.37996766 
+
+17
+-1753.9294639038578 11.242908 12.0073 -9.3203 -7.0632 -9.136 0.8864 -0.068 1.242 8.64183 -0.61746 6.1018222068 6.1018222068 0.301470252
+C      0.98898897     -0.00066079      0.03223505
+C      2.51489124     -0.00380232     -0.00874455
+O      2.93272390     -0.00736306      1.36706425
+C      3.04252814     -1.23514579     -0.81303330
+C      3.38217545     -0.67239829     -2.16621884
+C      3.38501088      0.66955462     -2.16360305
+C      3.04781068      1.22843392     -0.80822119
+H      0.58235389      0.00151831     -0.98865778
+H      0.62511632      0.89152300      0.56082130
+H      0.62149089     -0.89275248      0.55847624
+H      3.90648585     -0.00982859      1.37838551
+H      2.30002788     -2.04892895     -0.84747713
+H      3.93847310     -1.65965097     -0.32211793
+H      3.62378291     -1.29615974     -3.02871240
+H      3.62924878      1.29560783     -3.02370225
+H      3.94564521      1.64701914     -0.31566947
+H      2.30887591      2.04558415     -0.83934446 
+
+17
+-1754.8024452599577 11.364715 12.07775 -9.3804 -7.1983 -9.208 0.9085 -0.0487 1.232 8.69181 -0.59808 6.1661709408 6.1661709408 0.316783396
+C      0.95850850      0.02678788     -0.11217647
+C      2.48350467     -0.01196856     -0.00223829
+O      2.95882782      0.12812888     -1.36226399
+C      3.01461270     -1.30987854      0.68486942
+C      3.46333411     -0.90304848      2.10815468
+C      3.55946575      0.60003391      2.02834164
+C      3.02038082      1.08109346      0.90007925
+H      0.49705449     -0.13824197      0.87086248
+H      0.61603537     -0.75741892     -0.80250887
+H      0.62395893      0.99904555     -0.49979949
+H      3.92671261      0.22827888     -1.31446999
+H      3.87694521     -1.67346705      0.10605031
+H      2.26390804     -2.11209057      0.68179730
+H      4.41152520     -1.37424869      2.41285915
+H      2.71877798     -1.19648499      2.86926692
+H      3.98466407      1.20718853      2.83004325
+H      2.92679372      2.13424069      0.62845269 
+
+15
+-1611.499542414941 11.256532 11.48906 -7.8627 -5.8701 -8.033 0.8119 -0.7766 0.368 7.66225 0.1898 4.252595814 7.3247581178 0.262065279
+C      1.06861805      0.11572089     -0.17918180
+C      2.53771600     -0.04976546      0.21166868
+O      3.28918149      1.14576803     -0.21188994
+C      3.75170365      1.13914826     -1.48916340
+C      3.94781969      0.01276755     -2.21385275
+C      3.75916643     -1.26489615     -1.55190765
+C      3.15244540     -1.30745082     -0.34769886
+H      0.66251654      1.05235610      0.22825503
+H      0.48439809     -0.72449031      0.22328488
+H      0.95880016      0.11647745     -1.27229114
+H      2.63178540     -0.02576312      1.30835376
+H      4.02127577      2.14154747     -1.82646205
+H      4.35112314      0.08485659     -3.22183983
+H      4.17434525     -2.16783196     -2.00375233
+H      3.06096496     -2.22872452      0.22904741 
+
+15
+-1615.0686572882566 12.206126 12.15978 -8.053 -6.0743 -8.232 0.6821 -0.8315 0.331 7.72239 0.20218 4.8754022892 4.8754022892 0.571190359
+C      0.92560770      0.08923083     -0.19020316
+C      2.40940881     -0.02404268      0.14875420
+O      2.63887772     -1.20053911      0.97507598
+C      3.26877059     -0.82133367      2.14581859
+C      3.61599510     -1.70513446      3.10266053
+C      3.45724255      0.62358899      2.11822716
+C      2.96892848      1.10691042      0.96299177
+H      0.58386241     -0.82017998     -0.70179148
+H      0.75428955      0.94661393     -0.85670133
+H      0.33257245      0.22694002      0.72415081
+H      2.98802177     -0.16567630     -0.78566463
+H      3.41128434     -2.76806429      2.99445980
+H      4.11170962     -1.35152720      4.00324292
+H      3.92376456      1.18213098      2.92696685
+H      2.95661435      2.14344251      0.63079200 
+
+17
+-1748.7217505177637 11.56704 12.4576 -8.9499 -6.7985 -9.007 1.1281 -0.1055 1.307 8.54526 -0.67832 6.0668333576 6.0668333576 0.301312854
+C      0.98640131      0.03467370     -0.17958437
+C      2.46705845     -0.06287778      0.18975943
+O      2.69979476     -1.21998463      1.02644037
+C      3.31448749     -0.82708505      2.27612238
+C      4.64194855     -1.56153641      2.46855029
+C      3.43947544      0.66863263      2.17867992
+C      2.98291022      1.09531499      0.99878452
+H      0.66056602     -0.89182548     -0.67114662
+H      0.81677526      0.87114853     -0.87362542
+H      0.37486799      0.19093288      0.71995293
+H      3.05661931     -0.18444474     -0.74254437
+H      2.63069303     -1.11092011      3.10259377
+H      5.35462127     -1.28296207      1.67935217
+H      4.47922939     -2.64724760      2.42966437
+H      5.08142166     -1.31364098      3.44644987
+H      3.85764781      1.28133442      2.97726179
+H      2.96011204      2.12469770      0.64130896 
+
+17
+-1749.7640989321978 11.638455 12.63522 -8.8328 -6.6339 -8.729 0.9017 -0.0108 1.375 8.21542 -0.70837 5.8777795048 5.8777795048 0.311633242
+C      0.91183759      0.03833427     -0.20974750
+C      2.39892988     -0.03533924      0.12706081
+O      2.65934021     -1.21281948      0.93318292
+C      3.42401205     -0.84491493      2.08816676
+C      3.50463401      0.65932711      2.07324104
+C      4.16127126      1.43059521      3.17065726
+C      2.92588722      1.10558971      0.95111172
+H      0.59451036     -0.88293378     -0.71702396
+H      0.71245883      0.88657127     -0.88098389
+H      0.31560632      0.16108672      0.70512179
+H      2.97164094     -0.12826430     -0.82101860
+H      4.43329836     -1.30492837      2.04374123
+H      2.92631147     -1.23320829      2.99747598
+H      4.13677326      2.51041411      2.97623763
+H      5.21390758      1.12746036      3.29261997
+H      3.66624857      1.24328916      4.13741244
+H      2.84072207      2.14816048      0.64283440 
+
+17
+-1747.3603202790919 11.363319 12.16968 -9.2815 -7.0973 -9.107 0.9484 0.0091 1.334 8.58139 -0.70366 6.236743772 6.236743772 0.363650807
+C      1.04742272      0.20205935      0.04719386
+C      2.55833309     -0.05489130      0.14236967
+O      3.31485106      1.11043961     -0.23823625
+C      3.55783454      1.19197088     -1.64680978
+C      4.41954154      0.02843168     -2.13202693
+C      3.85528354     -1.26730137     -1.61989852
+C      2.98483574     -1.29280393     -0.60152736
+H      0.77841028      1.07908445      0.65077666
+H      0.48441301     -0.66585782      0.42074657
+H      0.74023232      0.37732438     -0.99350736
+H      2.81440045     -0.19498960      1.20852988
+H      4.05419527      2.16003693     -1.80246051
+H      2.60321048      1.20453194     -2.20819484
+H      5.46222200      0.15492607     -1.79078302
+H      4.45116095      0.02575890     -3.23470338
+H      4.16336168     -2.19834112     -2.10296739
+H      2.55607132     -2.23749905     -0.25534132 
+
+17
+-1691.5184918670686 10.177982 11.29013 -9.7348 -7.5422 -11.372 0.9186 -0.0069 2.995 11.05332 -2.79776 9.0652115928 11.182483319 0.145760684
+C      0.94942464      0.03288242      0.06764295
+C      2.46867967     -0.00395532     -0.11044544
+O      2.94238336     -1.27042753     -0.57215428
+C      2.64475834     -1.51432206     -1.95576830
+C      3.19396209     -0.38683904     -2.82665143
+C      2.66566940      0.94424895     -2.29704583
+O      2.96119738      1.08147351     -0.89832476
+H      0.66088868      0.99449442      0.51229977
+H      0.64517244     -0.77561231      0.74549047
+H      0.40085954     -0.08620593     -0.87519481
+H      2.95726709      0.12755270      0.86641728
+H      3.11434559     -2.47979014     -2.18906567
+H      1.55323995     -1.62587195     -2.10919866
+H      4.29376711     -0.38933162     -2.77603507
+H      2.89389462     -0.53007827     -3.87699253
+H      3.15143318      1.80160012     -2.78287730
+H      1.57601691      1.02824203     -2.47870638 
+
+15
+-1556.4355011518821 10.375034 11.51824 -7.8059 -5.706 -8.746 0.9511 0.0806 1.147 8.34118 -0.60293 5.5296268168 11.467403147 0.298796351
+C      0.88976065     -0.09801993      0.18946120
+C      2.27963430      0.04261063     -0.37398621
+O      2.70512209     -1.16681575     -1.03653094
+C      3.47323187     -0.69838867     -2.10311584
+C      3.26710362      0.61007198     -2.30803379
+C      3.74559444      1.56436336     -3.33408118
+O      2.34369102      1.08766112     -1.36836905
+H      0.59094862      0.83877235      0.67712604
+H      0.87302300     -0.90231624      0.93610859
+H      0.17939050     -0.33278484     -0.61337659
+H      3.03217010      0.27980292      0.41171884
+H      4.06276593     -1.42617629     -2.64830617
+H      4.28828442      2.40682292     -2.87883419
+H      2.89754703      1.98402707     -3.89788173
+H      4.41446241      1.05738937     -4.04023896 
+
+15
+-1556.6872029754186 10.208917 11.11777 -8.7766 -6.6089 -9.144 1.0253 0.0607 1.154 8.70653 -0.61049 6.045061416 6.045061416 0.285597357
+C      0.95648308     -0.04141912      0.25997211
+C      2.36395391      0.00431670     -0.28178818
+O      2.47743083      1.08122636     -1.18402441
+C      3.83276227      1.23488847     -1.64740021
+C      4.43866491     -0.09641727     -1.97279420
+C      3.79404647     -1.23008240     -1.65529322
+O      2.63203393     -1.26544591     -0.93037015
+H      0.74739078      0.87357598      0.82765609
+H      0.83683434     -0.91024402      0.91853073
+H      0.24451345     -0.11902760     -0.57203755
+H      3.12702642      0.10564756      0.51750409
+H      4.42768647      1.79598039     -0.89837148
+H      3.75831510      1.86537630     -2.54719679
+H      5.37772376     -0.14219248     -2.52263401
+H      4.12810427     -2.22837296     -1.94052282 
+
+15
+-1556.5847011578114 10.568629 11.53034 -8.7306 -6.606 -9.261 0.9667 0.0745 1.217 8.70887 -0.64815 6.2487456168 6.2487456168 0.412720197
+C      1.08539768     -0.00472726      0.07027554
+C      2.59179562     -0.00760891      0.06178922
+O      3.10919668      1.10093878      0.77512026
+C      4.41673309      0.68367056      1.18854165
+C      4.26179802     -0.81020214      1.38372606
+C      5.05505532     -1.66234723      2.04181466
+O      3.10521740     -1.18486118      0.74062425
+H      0.70752401     -0.88825726     -0.45895757
+H      0.71660444      0.89515378     -0.43824623
+H      0.71907196     -0.01429055      1.10469294
+H      3.00420247     -0.02316078     -0.96974464
+H      5.16659518      0.90545734      0.40446858
+H      4.68231232      1.22088340      2.10719463
+H      4.83584941     -2.72748113      2.07803006
+H      5.93811640     -1.29097743      2.55702060 
+
+17
+-1695.7811083815627 10.257666 11.38185 -9.549 -7.3665 -11.467 0.8973 -0.078 2.647 11.21393 -2.34898 9.0815033532 10.5057553324 0.071318948
+C      0.95294953     -0.01955609      0.02888090
+C      2.47076651      0.02609137     -0.02527966
+O      2.83534895      0.10886797     -1.41753536
+C      3.11732762      1.19038774      0.77502356
+C      4.46356355      0.60322303      1.26157089
+O      4.54304080     -0.74014572      0.72629279
+C      3.18209944     -1.17669174      0.61065906
+H      0.60081467     -0.11302124      1.06520677
+H      0.57733756     -0.87279739     -0.55277339
+H      0.52874668      0.89720822     -0.40297947
+H      3.79805839     -0.04916196     -1.45588552
+H      2.48197319      1.48033925      1.62365085
+H      3.23609090      2.06347852      0.12076727
+H      5.34680446      1.14752755      0.90001959
+H      4.50622946      0.56039104      2.36541163
+H      3.16074597     -2.07245011     -0.02409303
+H      2.75427233     -1.41288042      1.60666312 
+
+15
+-1559.444778026399 9.982381 11.02491 -9.3199 -7.2545 -10.75 0.8246 -1.0105 0.104 9.86758 0.65351 3.747848808 12.8087704852 0.182933765
+C      0.99405048     -0.02127192      0.28834153
+C      2.47137280      0.00593244     -0.06900627
+O      2.54536304      0.04575186     -1.49103170
+C      3.28324214      1.10114870      0.70970907
+C      3.86616105     -0.02240138      1.57503186
+O      4.46842501     -0.04403017      2.62484332
+C      3.30991146     -1.11043432      0.64892471
+H      0.85420796     -0.05100613      1.37748415
+H      0.51578174     -0.90774431     -0.15064970
+H      0.49457911      0.87513544     -0.10453462
+H      3.48307066      0.06231015     -1.75096894
+H      2.72852183      1.89517083      1.22844944
+H      4.06367419      1.56882097      0.08785985
+H      4.10125647     -1.52374407      0.00289378
+H      2.77514205     -1.94523809      1.12252352 
+
+17
+-1686.7691752547735 10.463516 11.64738 -9.7397 -7.5834 -11.594 0.7549 -0.2738 2.504 11.26995 -2.26071 9.082532437 9.9136353922 0.118138634
+C      1.00610165     -0.04258926      0.47055592
+C      2.38482042     -0.01854897     -0.17256843
+O      2.16077842     -0.03218677     -1.58262082
+C      3.32007822      1.09171630      0.39991713
+C      3.93419392      0.02303072      1.34238985
+O      5.32096117      0.05327189      1.64051929
+C      3.36393283     -1.08223119      0.41451300
+H      1.07775487     -0.03324925      1.56660366
+H      0.46400883     -0.94840455      0.16448036
+H      0.42637671      0.83484964      0.15159190
+H      3.02812436     -0.01834537     -2.02312304
+H      2.86395996      1.99066189      0.83721205
+H      4.05849083      1.40027545     -0.35932769
+H      3.43394846      0.01953761      2.32124287
+H      5.80717341      0.06419926      0.79644463
+H      4.11452790     -1.37212838     -0.34012316
+H      2.94345804     -1.99227903      0.86452248 
+
+17
+-1694.014836025105 10.397453 11.67938 -9.5753 -7.3229 -11.361 0.9617 0.062 2.822 10.827 -2.52719 9.1181536148 12.3248035328 0.088267942
+C      1.04605742      0.05231385     -0.01065334
+C      2.56014971      0.00991892     -0.02786161
+O      3.07378889      1.04871264      0.82852129
+C      4.38144264      0.64150865      1.21482927
+O      4.51697955     -0.75432003      0.94279930
+C      3.21176579     -1.24071379      0.57187299
+C      3.36468033     -2.42803271     -0.35759852
+H      0.63304869     -0.73493774     -0.65707956
+H      0.68477627      1.02027386     -0.38230267
+H      0.66711192     -0.09013648      1.01124679
+H      2.94268138      0.15315619     -1.06005322
+H      5.16037983      1.17281103      0.63535700
+H      4.49240341      0.85407867      2.29359134
+H      2.65040023     -1.53207026      1.48360961
+H      3.91843129     -2.14268632     -1.26332879
+H      2.37813664     -2.81587206     -0.64942022
+H      3.91250600     -3.23820441      0.14167035 
+
+13
+-1414.4474169864973 10.737097 10.84041 -8.5224 -6.4838 -8.766 0.5431 -1.0379 0.122 8.23254 0.33634 5.0445315918 5.0445315918 0.404367632
+C      1.01744568      0.06471710      0.12892549
+C      2.33323456      0.02154712     -0.12446200
+O      3.07161495      1.15617699     -0.40963161
+C      4.36311676      0.73021822     -0.83636309
+O      4.52161853     -0.62666502     -0.43026382
+C      3.26339765     -1.12256628     -0.13830045
+C      3.04026160     -2.42330638      0.09758605
+H      0.48397427     -0.84680351      0.38449125
+H      0.47133288      1.00425688      0.09445886
+H      4.43276125      0.79971479     -1.93771170
+H      5.12959417      1.34797480     -0.34699021
+H      2.04215026     -2.76399171      0.35927923
+H      3.84840745     -3.14858300      0.04259199 
+
+15
+-1576.3529335631117 9.885952 11.18935 -10.0503 -7.9624 -11.234 0.9167 -0.3388 0.195 10.32425 0.46998 4.3624970044 7.5917123744 0.122498378
+C      0.98292050      0.15801853      0.13824814
+C      2.44694894     -0.13354055     -0.07991545
+O      3.32078931      0.91399586      0.53317303
+C      3.98117683     -0.03885602      1.29117874
+O      4.90401683      0.13271912      2.04155107
+C      3.13684715     -1.21151446      0.78480595
+C      3.88568453     -2.35155221      0.10795959
+H      0.37313439     -0.65494056     -0.28253573
+H      0.69217496      1.09353218     -0.35851853
+H      0.75529398      0.24762424      1.20979670
+H      2.70193020     -0.20542886     -1.14843381
+H      2.47777966     -1.58711966      1.58340158
+H      4.54042745     -1.97860709     -0.69238500
+H      3.18542660     -3.07757788     -0.32846266
+H      4.51337866     -2.88077263      0.83753638 
+
+15
+-1554.0961373766731 10.393018 11.25336 -8.7643 -6.6471 -9.273 1.0249 -0.0188 1.199 8.71432 -0.62142 6.243748981 6.243748981 0.389395
+C      1.00616470      0.10707795      0.04017969
+C      2.51721120     -0.00125572      0.01366166
+O      3.09975973      1.07005745      0.79305880
+C      4.36507876      0.58322109      1.15987097
+O      4.21427172     -0.83234739      1.39455862
+C      3.11685160     -1.23601101      0.66651251
+C      2.71322599     -2.50912161      0.59376347
+H      0.56053311     -0.70063827     -0.55571773
+H      0.68786142      1.06539060     -0.39056715
+H      0.63599753      0.03276203      1.07082807
+H      2.88975601      0.07342620     -1.02979746
+H      5.10970719      0.72258993      0.34972831
+H      4.69036981      1.06782841      2.08982104
+H      1.82338348     -2.76554401      0.02371312
+H      3.25813774     -3.30480566      1.09769609 
+
+11
+-1310.897663045876 10.628759 10.06839 -9.3325 -7.4637 -9.437 -0.7991 -2.4954 -1.338 8.9277 1.82202 4.0634923668 4.4286187382 0.586606906
+C      1.04494028     -0.04518464     -0.06675804
+C      2.37027942      0.05215368      0.13912158
+O      3.15128733     -1.05602988      0.40848403
+C      4.49098107     -0.61800772      0.57356206
+O      5.38307530     -1.39342573      0.81893876
+C      4.48508372      0.84412310      0.38800751
+C      3.21864452      1.23305638      0.12940437
+H      0.53758987     -1.00694705     -0.02851484
+H      0.46566436      0.85149276     -0.27588593
+H      5.38740683      1.44341048      0.46102363
+H      2.84598732      2.23740862     -0.05932312 
+
+13
+-1417.7129132975037 10.815933 10.649 -8.2919 -6.2771 -8.436 0.7365 -0.8346 0.104 7.9803 0.41225 4.9016377268 4.9016377268 0.630076399
+C      0.91356851      0.07975241      0.00075222
+C      2.25721909      0.01287846      0.06564846
+O      2.96708628      1.14233851      0.48060518
+C      4.28666663      1.16196354     -0.02585683
+O      5.06257890      0.02871116      0.38989781
+C      4.40270042     -1.13388932      0.10155374
+C      3.07374273     -1.16955038     -0.14276584
+H      0.39220090      1.01192965      0.20861109
+H      0.33407814     -0.81195520     -0.22710666
+H      4.77770810      2.04976271      0.38518916
+H      4.26861729      1.16624867     -1.13122084
+H      5.06089663     -2.00253266      0.10140364
+H      2.59348638     -2.10848755     -0.41125112 
+
+15
+-1557.6251564106342 10.162065 10.8395 -8.7676 -6.704 -9.268 1.0068 -0.0329 0.989 8.82632 -0.43558 5.9159671928 5.9159671928 0.238853083
+C      0.94903531     -0.05758285     -0.22295233
+C      2.45218137      0.01096386      0.03298858
+O      3.05515770      0.19479373     -1.27668422
+C      3.00181551     -1.25304585      0.75020097
+O      3.97073011     -0.80554717      1.74781653
+C      3.78111544      0.54521971      1.86151519
+C      2.91057272      1.08495427      0.99213861
+H      0.39934381     -0.19180948      0.71717191
+H      0.71438169     -0.89394395     -0.89741146
+H      0.61110948      0.86991558     -0.70369758
+H      3.96195781      0.51655075     -1.12297144
+H      3.51053568     -1.93061141      0.05291989
+H      2.20844056     -1.79178059      1.29009560
+H      4.37497125      1.01629009      2.64379962
+H      2.64093155      2.13473331      0.91589013 
+
+13
+-1449.6320371117356 9.804817 10.36597 -10.0036 -8.0131 -10.407 0.1545 -1.5478 -0.657 9.89968 1.1632 4.1698475576 5.5995425222 0.429496818
+C      0.92951697      0.04435119     -0.10594625
+C      2.43377012     -0.01792014      0.14089625
+O      2.76733725     -1.21381951      0.88383030
+C      3.45480907     -0.86640353      2.04287966
+O      3.84889694     -1.69168582      2.83571990
+C      3.57077034      0.61142241      2.06449071
+C      2.98505497      1.10728291      0.96754983
+H      0.60147280     -0.84678141     -0.65561406
+H      0.68205702      0.93308350     -0.70319113
+H      0.38559640      0.09441274      0.84663895
+H      2.96762631     -0.08047011     -0.82566696
+H      4.06401408      1.14042798      2.87547607
+H      2.89122774      2.15260979      0.67495672 
+
+15
+-1553.8412374908742 10.156234 10.88536 -8.8333 -6.7042 -9.131 0.9536 0.0046 1.125 8.68673 -0.5721 6.0081259866 6.0081259866 0.280139413
+C      1.02415413      0.21699001     -0.01553840
+C      2.51928898     -0.06375605      0.14306415
+O      3.31752061      1.10170975     -0.20873531
+C      3.64242264      1.11315663     -1.57079413
+O      4.51028208      0.02800410     -1.94833861
+C      3.99608947     -1.16741018     -1.52180341
+C      3.01921705     -1.26828476     -0.60500436
+H      0.73769405      1.08999151      0.58676538
+H      0.43820019     -0.64958126      0.32407168
+H      0.76377354      0.40474768     -1.06675671
+H      2.73849816     -0.20307421      1.21622493
+H      4.19680852      2.03682371     -1.77122832
+H      2.73723376      1.03722638     -2.20418060
+H      4.47019508     -2.01844107     -2.01226065
+H      2.63420175     -2.25210226     -0.33766564 
+
+19
+-1873.3087444262037 11.774679 13.40724 -9.9204 -7.6647 -11.308 0.9498 0.0474 2.953 10.95228 -2.70694 9.143471556 11.0486032362 0.204483541
+C      1.62765212     -0.13488095      1.39627970
+C      2.10229255      0.35463550      0.02478330
+C      3.21240335      1.38191375      0.11321521
+C      3.44283238      2.37611831     -0.99996472
+C      2.88986046      2.84196815      0.33593495
+C      3.74960928      3.69025555      1.23765105
+O      3.73131587      5.08166906      0.88743304
+H      0.82859127     -0.88371721      1.29920014
+H      1.23890724      0.69811015      2.00102044
+H      2.45228570     -0.59784888      1.95957403
+H      1.25345310      0.79066379     -0.52902446
+H      2.45021849     -0.50321528     -0.57607122
+H      4.11949398      1.02576021      0.61411569
+H      2.76392772      2.35035471     -1.85413843
+H      4.47473279      2.63586893     -1.24787082
+H      1.82659139      3.10130109      0.34724851
+H      4.78579342      3.29686699      1.23542325
+H      3.38475312      3.64998363      2.27576613
+H      3.91501577      5.13356250     -0.06808580 
+
+15
+-1599.1717232851415 11.300519 12.15994 -9.5734 -7.4444 -9.733 0.7943 -1.0281 -0.05 9.89521 0.70272 3.699866226 6.5420221012 0.436565743
+C      0.64934959      1.01496000      0.00747466
+C      1.86735430      0.58736672     -0.34522659
+C      3.15339412      1.30749643     -0.16780560
+C      3.66554585      2.25772540     -1.20674342
+C      3.19877747      2.80861682      0.13760400
+C      4.22727539      3.27180846      1.09864965
+O      5.36873062      2.83697104      1.15546954
+H     -0.23573880      0.40834231     -0.18573612
+H      0.49176499      1.97454416      0.50440685
+H      1.96498927     -0.39596709     -0.82012527
+H      3.94200708      0.74393415      0.34156210
+H      3.02395002      2.47446920     -2.06084907
+H      4.74277931      2.28761356     -1.37617745
+H      2.24932699      3.34437967      0.15864232
+H      3.88952379      4.07226916      1.80455440 
+
+19
+-1873.1813383394929 11.775967 13.34748 -9.0454 -6.9016 -10.579 0.8803 -0.051 2.903 10.24685 -2.61827 8.2872490372 10.3828480106 0.159959796
+C      2.87397230     -1.04146325     -0.40162939
+C      2.38358651      0.23890293      0.28255795
+C      3.40461826      1.35704207      0.21633239
+C      3.50407986      2.27550591     -1.00365977
+C      3.07839326      2.82696326      0.33792702
+C      1.67343133      3.32824856      0.55876677
+O      3.97394295      3.67063922      1.05476726
+H      2.11579369     -1.83628833     -0.35445754
+H      3.78805300     -1.42267734      0.07858454
+H      3.10742216     -0.85746728     -1.46101606
+H      2.13828297      0.02584602      1.33722268
+H      1.44417721      0.56722475     -0.19064176
+H      4.37333020      1.08538032      0.65454746
+H      2.74346972      2.16950644     -1.78126210
+H      4.49573929      2.53982040     -1.37578585
+H      0.93987063      2.73263819      0.00305268
+H      1.59531425      4.37219907      0.22205598
+H      1.41795697      3.29250643      1.62801464
+H      4.86828543      3.29407263      0.98723310 
+
+17
+-1745.308745019268 11.481998 12.75517 -9.3942 -7.316 -10.803 1.0721 -0.722 0.036 9.79657 0.60196 3.7191584476 7.2697455296 0.253696387
+C      1.69553273     -0.19932193      1.34293431
+C      2.28455594      0.18910110     -0.01547505
+C      3.33492250      1.27595056      0.08283675
+C      3.63610949      2.18857173     -1.05398671
+C      2.88004824      2.73951434      0.15617902
+C      3.59855191      3.64445798      1.07132754
+O      3.09267169      4.55898780      1.70172460
+H      0.93816400     -0.98827836      1.23629865
+H      1.22017844      0.66394144      1.83070158
+H      2.47658168     -0.57585904      2.02013165
+H      1.48188206      0.52398315     -0.69372393
+H      2.73884590     -0.69600828     -0.49277987
+H      4.18297813      1.03575668      0.73323626
+H      3.05270691      2.09167948     -1.97037030
+H      4.66313776      2.52910118     -1.19687118
+H      1.81312141      2.93970394      0.04139987
+H      4.69915121      3.42535824      1.16096680 
+
+19
+-1862.6313003504547 11.891037 13.54676 -9.2904 -7.1474 -10.959 0.9864 0.1233 3.163 10.54888 -2.85664 8.8173015858 10.946042017 0.206363311
+C      1.75881671     -0.46856277      1.20279720
+C      2.10169915      0.19264705     -0.13544422
+C      3.21394130      1.21500345     -0.02332964
+C      3.37022786      2.33041358     -1.04572976
+C      2.91882213      2.62873772      0.36894562
+O      3.80881024      3.24713892      1.26368365
+C      3.82870617      4.66377953      1.09771842
+H      0.94406415     -1.19833741      1.09121151
+H      1.44521016      0.28013462      1.94520695
+H      2.62942781     -0.99933080      1.61654217
+H      1.20359825      0.68031766     -0.55209524
+H      2.39401496     -0.57824529     -0.86920669
+H      4.15846761      0.83678805      0.37962699
+H      2.63709084      2.40486309     -1.85157757
+H      4.38694474      2.62177320     -1.31235148
+H      1.86607354      2.91110206      0.51375955
+H      4.55416575      5.05947253      1.81986523
+H      2.83639602      5.10747721      1.30207100
+H      4.13739260      4.94619759      0.07514631 
+
+19
+-1863.280253612022 11.640414 13.05722 -9.3379 -7.2435 -10.874 0.95 0.0568 2.938 10.50716 -2.56421 8.5920066252 10.9341889554 0.195109407
+C      3.04287180     -0.91225410      0.49623417
+C      2.32914004      0.44198532      0.51430632
+C      3.22561630      1.59055162      0.08234185
+C      3.44659961      1.84862300     -1.37974807
+C      2.63029594      2.82845577     -0.55091838
+O      4.39296789      1.78256258      0.86723860
+C      4.12674991      2.32888183      2.15832682
+H      2.37919352     -1.71545752      0.84585085
+H      3.93093724     -0.89502041      1.14270060
+H      3.37889430     -1.16684024     -0.51957306
+H      1.92928709      0.64538455      1.52251461
+H      1.45389559      0.42063521     -0.15464519
+H      2.92623010      1.21286913     -2.09763090
+H      4.44869589      2.16135029     -1.67243359
+H      3.10248267      3.78254749     -0.31444640
+H      1.55087190      2.87117153     -0.70426760
+H      3.56034693      1.63127601      2.80055901
+H      3.56626605      3.27839462      2.08798461
+H      5.10264724      2.51983331      2.62242574 
+
+19
+-1877.3742787543883 11.66835 13.17801 -9.6864 -7.5132 -11.368 0.9197 -0.0032 2.77 11.03842 -2.51931 9.2383084474 9.8363425198 0.095398143
+C      2.29732231     -0.51141674     -1.52304400
+C      2.46631681      0.01510643     -0.09515111
+C      3.21356476      1.33880441     -0.02124391
+C      2.55467071      2.65337022     -0.53676728
+C      3.24931017      3.41423756      0.62534944
+C      3.38692510      2.05133533      1.34817449
+O      4.50811155      1.77344661      2.17245153
+H      1.74637679     -1.46286823     -1.53845724
+H      3.27426527     -0.68409440     -2.00069007
+H      1.74364981      0.20391766     -2.15006496
+H      3.00265886     -0.73017921      0.51665590
+H      1.47412809      0.14188908      0.37326283
+H      4.21274230      1.23637482     -0.48691939
+H      1.46190760      2.62550459     -0.40613180
+H      2.78001664      2.97413003     -1.56167539
+H      4.23846366      3.78849712      0.31555479
+H      2.70728039      4.22243681      1.13432531
+H      2.50702278      1.86146821      1.98476625
+H      5.30825640      1.95518971      1.64666463 
+
+15
+-1605.4429667517004 11.165671 11.98141 -9.0377 -6.9736 -9.623 0.79 -0.8958 0.287 9.1764 0.54084 3.7205222936 6.5859131452 0.312016143
+C      0.71352565      0.25969713      0.16788700
+C      2.04151863      0.16693062      0.30647610
+C      3.02476087      1.26331099      0.06214736
+C      2.59916431      2.75717381     -0.07236145
+C      3.72322913      3.18720151      0.91649339
+C      3.94456160      1.70331140      1.23819990
+O      4.53773246      1.10490473      2.10288299
+H      0.06643013     -0.59124882      0.38231687
+H      0.22702884      1.17753737     -0.16860023
+H      2.48315356     -0.77726663      0.64199310
+H      3.70373926      0.97751339     -0.76445680
+H      1.59945683      2.93827909      0.34258598
+H      2.65305558      3.18093534     -1.08152124
+H      4.60733005      3.62876290      0.43253884
+H      3.44425313      3.81633719      1.77264818 
+
+19
+-1872.892414391466 11.676539 13.13026 -9.5694 -7.3582 -10.794 0.8924 -0.0439 2.919 10.43706 -2.5759 8.6021734772 10.5691369756 0.209187001
+C      2.46961118     -1.33197052     -0.70586528
+C      1.98183297      0.00101861     -0.12916227
+C      3.10356848      0.93791045      0.30362837
+C      3.94286456      0.46555609      1.47541421
+C      3.79686533      1.74231109     -0.79187812
+C      2.83907640      2.41731391      0.16538033
+O      3.33598482      3.27804093      1.16995261
+H      1.62325788     -1.94910863     -1.03968600
+H      3.03120898     -1.91632807      0.03712229
+H      3.13020076     -1.16938187     -1.57122863
+H      1.32379350     -0.18643861      0.73778762
+H      1.35864970      0.51255305     -0.88190096
+H      4.63590971      1.24926627      1.80501293
+H      4.52882410     -0.42680739      1.21032483
+H      3.30041152      0.20864573      2.33266376
+H      3.48706786      1.60155191     -1.82956336
+H      4.85757757      1.95653821     -0.64845626
+H      1.85317492      2.70221281     -0.22271449
+H      3.64157976      4.09139604      0.73206842 
+
+19
+-1870.6254430598053 11.709236 13.32236 -9.0424 -6.8854 -10.738 0.9025 -0.0249 2.983 10.40591 -2.64802 8.5336960094 10.5415004962 0.234254657
+C      2.99058539     -1.09381048     -0.69372865
+C      2.39456567      0.11477299      0.03638568
+C      3.33428147      1.30366411      0.08977856
+C      3.46529589      2.33840009     -1.04175351
+C      2.65955440      2.28728186     -2.32198035
+C      2.83921117      2.71301758      0.27630238
+O      3.42026916      3.62992111      1.18397976
+H      2.29186152     -1.94299561     -0.69832687
+H      3.92021978     -1.42953292     -0.20930305
+H      3.23170541     -0.84833133     -1.73839540
+H      2.12873222     -0.17090286      1.06858746
+H      1.44804227      0.40736151     -0.44589155
+H      4.28638021      1.08809448      0.59006432
+H      4.48850417      2.70693646     -1.17405186
+H      1.63233515      1.93854968     -2.14566512
+H      3.11604675      1.61276397     -3.06305778
+H      2.59131316      3.28715268     -2.77690492
+H      1.75513308      2.85577501      0.28031723
+H      4.38200312      3.48071164      1.18960368 
+
+17
+-1750.8455304986978 11.189341 12.47026 -9.0817 -7.0579 -10.357 0.9151 -0.7898 0.363 9.55204 0.4267 3.734334334 8.1284353698 0.116633068
+C      2.41934065     -0.55717619     -1.55685337
+C      2.42851258      0.02500965     -0.14170127
+C      3.26084639      1.29811680     -0.02259097
+C      2.77090320      2.63076224     -0.67981936
+C      3.04507025      3.40617165      0.64354009
+C      3.25907348      2.04649502      1.32545442
+O      3.30195794      1.68351984      2.47959468
+H      1.79838443     -1.46286910     -1.60784209
+H      3.43504317     -0.82791846     -1.88262065
+H      2.01712656      0.16288735     -2.28516337
+H      2.82229030     -0.71587176      0.57189535
+H      1.39591081      0.24216317      0.18016698
+H      4.31004207      1.09179678     -0.30392771
+H      1.70035123      2.59570146     -0.92586407
+H      3.32870546      2.96938665     -1.56069732
+H      3.97184457      3.99960081      0.62941000
+H      2.24086690      4.02840411      1.05963868 
+
+15
+-1627.755927683066 11.242296 12.04636 -8.3374 -6.2998 -8.077 1.1099 -0.018 0.63 7.62108 -0.05774 4.4614750282 6.8738706302 0.454032229
+C      2.53910678     -0.57350163     -1.42091942
+C      2.39539506      0.08751197     -0.03993089
+C      2.83875610      1.51002834     -0.00384194
+C      2.18903697      2.70179653      0.18173935
+C      3.17760053      3.73682709      0.08879428
+C      4.36502687      3.10754375     -0.14829544
+O      4.18224897      1.74813409     -0.20903598
+H      2.20483059     -1.62005971     -1.38669269
+H      3.58584744     -0.56101238     -1.75398604
+H      1.93798828     -0.04373376     -2.17335244
+H      2.96775223     -0.49050094      0.70531922
+H      1.34462083      0.06174838      0.28471529
+H      1.12573809      2.82369556      0.36584970
+H      3.02507369      4.80728397      0.18674343
+H      5.38322758      3.45200873     -0.29039641 
+
+13
+-1486.3934810138294 12.189589 11.71954 -8.0638 -6.1377 -7.801 0.427 -1.0725 -0.121 7.29165 0.7048 3.918453544 6.3696319668 0.51742969
+C      2.80721313     -1.12127975      0.40909693
+C      2.23507693      0.07580344      0.17807023
+C      2.91630475      1.34354868      0.09629412
+C      2.45654105      2.62382108     -0.13109314
+C      3.59329272      3.48666861     -0.10174395
+C      4.67312907      2.68305211      0.14089195
+O      4.28635911      1.37651183      0.26489230
+H      2.20446380     -2.02718394      0.45279549
+H      3.88274420     -1.22049037      0.55825314
+H      1.15344110      0.14180429      0.03245722
+H      1.42087141      2.90362089     -0.29893212
+H      3.61217584      4.56290054     -0.24174307
+H      5.73572688      2.87047258      0.25026088 
+
+11
+-1326.0159758821374 11.613054 11.47328 -8.4417 -6.4709 -7.995 0.5306 -1.0133 -0.063 7.55349 0.59948 3.9114607336 11.2914298172 0.483300495
+C      0.95957371     -0.07379865     -0.00299338
+C      2.17475581     -0.00413026      0.00045156
+C      3.57504058      0.10400528      0.00393160
+C      4.42790457      1.18730552      0.00329219
+C      5.75428135      0.66563507      0.00824609
+C      5.63010640     -0.69749960      0.01163879
+O      4.31678246     -1.06787709      0.00907673
+H     -0.10920176     -0.13613900     -0.00601258
+H      4.12216453      2.22835849     -0.00034510
+H      6.68326920      1.22711660      0.00921405
+H      6.34604316     -1.51216635      0.01576004 
+
+19
+-1887.9491414946908 11.522863 12.921 -9.1692 -7.0223 -11.222 0.9321 0.0334 3.014 10.5369 -2.72278 9.0530609648 11.4697836782 0.128655494
+C      2.11286135     -0.34515559     -1.52312265
+C      2.45662794      0.14928312     -0.11634755
+C      3.21060274      1.47518482     -0.11399263
+C      2.42000121      2.69578620     -0.60100893
+C      3.10421856      3.84396212      0.14932371
+C      3.41049217      3.19346723      1.50091510
+O      3.61120569      1.78984130      1.24291409
+H      1.62178942     -1.32747157     -1.48591683
+H      3.01788012     -0.45051502     -2.14167546
+H      1.43198437      0.34486297     -2.04385868
+H      3.07911506     -0.59647679      0.40256881
+H      1.54099318      0.26940969      0.48666456
+H      4.12972804      1.36472172     -0.72834716
+H      1.36486275      2.60481249     -0.29167648
+H      2.44940195      2.81252797     -1.69270301
+H      4.03709695      4.13067387     -0.36048526
+H      2.47769117      4.74154253      0.24366263
+H      4.31690922      3.59689805      1.97986964
+H      2.56513810      3.31488490      2.20394613 
+
+17
+-1740.8627259600858 11.403832 12.42916 -9.2839 -7.1492 -9.685 1.1975 -0.1085 1.296 9.12365 -0.71549 6.7342004012 6.7342004012 0.425582268
+C      0.85215560      0.09685779      0.24823786
+C      2.18399856      0.16348617      0.34410368
+C      3.03401111      1.36550661      0.03861093
+C      2.34503410      2.73603092      0.05023876
+C      3.48617820      3.66979565      0.47345498
+C      4.22887809      2.80091175      1.48829189
+O      4.10703483      1.44421978      1.02045130
+H      0.31770476     -0.83024810      0.45995444
+H      0.24597577      0.95522663     -0.04995976
+H      2.75443616     -0.72323346      0.63807937
+H      3.51163662      1.20274131     -0.95072820
+H      1.54282546      2.74647445      0.80469816
+H      1.90959758      2.99479589     -0.92404358
+H      4.13600921      3.90105495     -0.38460502
+H      3.13319867      4.61735025      0.90290017
+H      5.30036232      3.03936505      1.56927310
+H      3.77427294      2.88882436      2.49330192 
+
+15
+-1609.1752981795555 12.246977 12.28535 -7.9977 -6.0017 -8.17 0.7151 -0.8336 0.294 7.66125 0.24673 4.827518896 4.827518896 0.636562583
+C      1.13718431     -0.10924555     -0.60132259
+C      2.44238661     -0.01393438     -0.28964333
+C      3.19590350      1.22378319     -0.27088484
+C      4.50150573      1.41755895      0.02354869
+C      4.84526400      2.87065824     -0.17458003
+C      3.43990858      3.48627543     -0.34012599
+O      2.52738676      2.38104040     -0.61905711
+H      0.62932133     -1.07329325     -0.60305291
+H      0.55523850      0.77530209     -0.86124688
+H      3.01734018     -0.90679971     -0.03167105
+H      5.20377286      0.63310038      0.29188154
+H      5.38468464      3.31515055      0.67557779
+H      5.47597318      3.01782857     -1.06997018
+H      3.35503679      4.19992426     -1.16956698
+H      3.09804303      3.96909084      0.59003388 
+
+15
+-1601.5749015134172 11.175311 11.84178 -8.3532 -6.2142 -8.98 1.3159 -0.2439 1.212 9.18982 -0.64891 5.8649345552 6.7482976094 0.450513532
+C      1.66173588     -0.69667675     -1.03823613
+C      1.99411527      0.20619504     -0.11078510
+C      3.08675962      1.22456899     -0.23104470
+C      3.59415927      1.60124829     -1.64207223
+C      3.72111490      3.10356328     -1.52590493
+C      3.12745867      3.49390268     -0.39046008
+O      2.62257278      2.48527383      0.39054424
+H      0.87880215     -1.43202053     -0.85053708
+H      2.15715385     -0.74322512     -2.01013590
+H      1.47819152      0.21126639      0.85445025
+H      3.94214131      0.90180537      0.39355315
+H      2.86989395      1.32230328     -2.42821657
+H      4.54286973      1.09477813     -1.87174251
+H      4.14217094      3.76148438     -2.28046427
+H      2.96493018      4.49446274      0.00691186 
+
+15
+-1583.244217678211 10.95503 12.03797 -9.7361 -7.529 -9.84 0.9703 -0.0671 2.242 9.70074 -1.81812 4.3664273606 10.555486117 0.410464597
+C      1.14735553     -0.24098725      0.44924759
+C      2.30986077     -0.07514027      0.13970555
+C      3.71273854      0.12989005     -0.23477795
+C      4.38960244      1.27120238      0.59436288
+C      5.51935605      0.54962509      1.35991632
+C      5.07855086     -0.91306348      1.30154772
+O      4.50071212     -1.05968798     -0.00443650
+H      0.12391456     -0.39744234      0.72296407
+H      3.76639316      0.32386892     -1.31782468
+H      3.66026681      1.72212348      1.27923684
+H      4.77034127      2.06150388     -0.06486996
+H      6.48023182      0.66893010      0.83917410
+H      5.63477656      0.92002625      2.38773370
+H      5.89957815     -1.63819797      1.37477256
+H      4.32879135     -1.13805085      2.08450775 
+
+13
+-1447.5618796968347 11.548658 12.05859 -8.3079 -6.2637 -8.434 0.8098 -0.7939 0.474 7.98105 0.05998 4.1802127872 11.0743923242 0.396933446
+C      0.95024232      0.05791049      0.02154837
+C      2.16440329      0.00421888     -0.00397662
+C      3.57797261     -0.06345212     -0.03462297
+C      4.37855806     -1.15098473     -0.04688770
+C      5.81422842     -0.69580175      0.01174297
+C      5.65942079      0.81409420     -0.26380947
+O      4.25564356      1.14535640     -0.02501915
+H     -0.11910605      0.10579162      0.04434221
+H      4.03224623     -2.17958906     -0.02556166
+H      6.25662727     -0.90073672      1.00331496
+H      6.45819285     -1.18077583     -0.73690929
+H      5.87779581      1.05564441     -1.31688620
+H      6.26115481      1.45778421      0.38945454 
+
+13
+-1443.18799874521 10.875582 11.66333 -8.5494 -6.416 -9.1 1.0879 -0.0538 1.136 8.65473 -0.5578 4.3874801834 10.8018586976 0.528137588
+C      0.90809492     -0.07092413      0.33990673
+C      2.09460981     -0.00133891      0.09743698
+C      3.52237381      0.03530316     -0.16949864
+C      4.10417739     -1.25456333     -0.81982987
+C      5.01265829     -0.67028852     -1.87503460
+C      4.76824969      0.64213624     -1.97306297
+O      3.83741434      1.14427936     -1.09608327
+H     -0.14185780     -0.11958046      0.54548925
+H      4.06572763      0.26548824      0.76393812
+H      3.30665095     -1.87703087     -1.25880867
+H      4.62618461     -1.86457898     -0.06871017
+H      5.69200594     -1.23840182     -2.50356147
+H      5.18187040      1.38345003     -2.65431143 
+
+17
+-1751.135247499418 11.72551 12.73317 -7.8616 -5.8954 -8.625 0.881 -0.0226 1.459 8.10879 -0.81599 5.9045356836 5.9045356836 0.372631624
+C      1.08555042     -0.13148947      0.34017299
+C      2.35565444      0.16434377     -0.39913710
+C      3.03803811      1.31783805     -0.32795817
+C      2.74166874      2.57072140      0.46898610
+C      3.61139228      3.62858624     -0.23033058
+C      4.78046354      2.78001127     -0.72672569
+O      4.20268474      1.49993200     -1.06443036
+H      1.20787222     -0.98681350      1.02582562
+H      0.26811709     -0.40002004     -0.34946215
+H      0.74472699      0.72156145      0.94322392
+H      2.76336439     -0.61968944     -1.04256901
+H      3.05666403      2.43951454      1.51801168
+H      1.67356661      2.82258979      0.47293151
+H      3.07154330      4.06350836     -1.08471648
+H      3.92849756      4.44382905      0.43330568
+H      5.27198023      3.16830570     -1.62871757
+H      5.54148532      2.63744083      0.06243961 
+
+15
+-1610.8694234530108 11.534008 12.22872 -7.8323 -5.8414 -8.439 0.9204 0.0609 1.179 8.06762 -0.58887 5.4759780746 11.9174351312 0.280530527
+C      0.97275733      0.03881260      0.14916852
+C      2.41982396      0.07966843     -0.23694260
+C      3.17635173      1.18272273     -0.31309511
+C      4.63990683      1.34287568     -0.69148856
+C      4.82541477      2.83593834     -0.57287417
+C      3.65971495      3.37043064     -0.19390730
+O      2.63864467      2.45158652     -0.02011209
+H      0.81684327     -0.58118272      1.04708694
+H      0.35951407     -0.40700100     -0.65110754
+H      0.58369553      1.04288595      0.35772147
+H      2.91355003     -0.86431684     -0.47969652
+H      4.84120715      0.97151022     -1.71053395
+H      5.30179120      0.78019383     -0.01159972
+H      5.74585107      3.37966538     -0.76170929
+H      3.37213346      4.40026025      0.00247992 
+
+17
+-1751.207824863552 11.490951 12.62346 -8.0748 -5.9711 -8.606 0.9593 0.0368 1.386 8.08753 -0.76613 5.7126301528 5.7126301528 0.261290306
+C      2.49262357     -0.45034605      1.49634414
+C      2.64836718      0.00326540      0.03619043
+C      3.20448423      1.38259282     -0.09801561
+C      4.35121009      1.82477779     -0.64229230
+C      4.46432559      3.31560968     -0.42612065
+C      3.04045647      3.64868775      0.06540939
+O      2.42338519      2.38247562      0.45490037
+H      2.06422285     -1.46119627      1.54280452
+H      1.82998926      0.22904135      2.04875934
+H      3.46577280     -0.46612296      2.00766933
+H      1.66411328     -0.02834089     -0.46144728
+H      3.30903511     -0.68516706     -0.51041806
+H      5.11096009      1.19636492     -1.09882724
+H      5.23430734      3.56031112      0.32763145
+H      4.71518285      3.87718409     -1.33878326
+H      2.42405773      4.07671207     -0.74233371
+H      3.00614636      4.31535061      0.93673913 
+
+19
+-1872.8645712377943 11.480516 12.83405 -9.1789 -7.0825 -11.251 0.8919 -0.0178 2.8 10.58315 -2.47023 9.0644056838 9.9293692156 0.117651492
+C      1.72678951     -0.58336024     -1.16238438
+C      2.40561154      0.06423302      0.04755378
+C      3.26387278      1.28680271     -0.28074506
+C      4.44259317      0.97286719     -1.19147901
+C      2.47929540      2.58010629     -0.63698812
+C      3.07290408      3.15459777      0.65886559
+O      3.74535767      1.90408376      0.97472094
+H      1.05085607     -1.38854829     -0.84250115
+H      2.45585492     -1.02308066     -1.85751925
+H      1.12459926      0.14624509     -1.72591436
+H      3.04714464     -0.66981238      0.56361414
+H      1.64553843      0.37995730      0.78028705
+H      5.06045857      1.86934140     -1.33875179
+H      4.10348194      0.62177724     -2.17727721
+H      5.07341112      0.19165161     -0.74181014
+H      1.38754373      2.46333074     -0.63501659
+H      2.79018746      3.07547697     -1.56563782
+H      3.79246543      3.98034249      0.52553080
+H      2.34778428      3.43464800      1.44075258 
+
+19
+-1870.5124278044243 11.483747 13.00998 -9.6599 -7.6318 -11.764 0.8998 -0.0199 2.613 11.49632 -2.27713 9.1302422498 10.8319624984 0.190180132
+C      2.00830660     -1.61852407     -0.36446174
+C      1.68962357     -0.13323329     -0.16345358
+C      2.91086976      0.71764704      0.14606925
+C      3.68196747      0.42660730      1.42393618
+C      2.84299938      0.57154355      2.69741371
+C      3.61062807      1.38221162     -0.97093844
+O      2.72349147      2.13738453     -0.12114303
+H      1.10276723     -2.17617112     -0.64123862
+H      2.41096834     -2.07832920      0.54987393
+H      2.74903573     -1.76348429     -1.16530143
+H      0.95518905     -0.01352657      0.64964436
+H      1.21621647      0.27963324     -1.06725538
+H      4.53646852      1.11938691      1.46446343
+H      4.10519191     -0.59031468      1.36260997
+H      2.39033705      1.57186317      2.75302479
+H      3.46724931      0.43289816      3.59105356
+H      2.03320565     -0.17096563      2.74411430
+H      3.25548955      1.23110011     -1.99718011
+H      4.67382486      1.63069322     -0.87367114 
+
+17
+-1748.9026569154812 11.280526 12.30388 -8.2429 -6.1026 -8.918 0.9465 0.05 1.294 8.50003 -0.73715 5.8730680368 5.8730680368 0.231705637
+C      3.17325446     -1.15695389     -0.55846051
+C      2.49284529      0.06636205      0.06040110
+C      3.34219105      1.32322609     -0.05387713
+C      3.53476524      1.88633606     -1.48557994
+C      3.26391320      3.35926501     -1.28248399
+C      2.78813931      3.53495133     -0.04279805
+O      2.70727565      2.40276537      0.72649940
+H      2.54972961     -2.05371769     -0.44129424
+H      4.14211517     -1.35931093     -0.07654119
+H      3.35764678     -1.01976199     -1.63437137
+H      2.28563283     -0.11673008      1.12635760
+H      1.52096558      0.25452079     -0.42527142
+H      4.32519815      1.15402683      0.42235163
+H      2.81839642      1.43638583     -2.19855235
+H      4.54490041      1.67784501     -1.86863812
+H      3.37085567      4.13358767     -2.03660274
+H      2.43886518      4.44011256      0.45141131 
+
+19
+-1874.392495939753 11.656412 13.2638 -9.1608 -7.082 -11.255 0.9269 0.0375 2.972 10.588 -2.71686 9.182465153 10.149617946 0.131528945
+C      1.84726338     -0.56602940     -1.25448372
+C      2.40845741      0.08702996      0.01073753
+C      3.39554451      1.20027274     -0.30146485
+C      2.82616321      2.55125673     -0.78615376
+C      3.41863055      3.13333468      0.51517489
+C      4.50614628      4.18038343      0.39125293
+O      3.94455596      1.82104821      0.90525724
+H      1.13807557     -1.36749245     -1.00600259
+H      2.64948867     -1.00826401     -1.86492115
+H      1.31494531      0.16378769     -1.88361102
+H      2.92626694     -0.66371864      0.62993978
+H      1.59301710      0.49774054      0.62943088
+H      4.21402338      0.80511882     -0.93254772
+H      1.73117561      2.58927219     -0.86419825
+H      3.27163826      2.94804609     -1.70785569
+H      2.65572382      3.46265316      1.24400227
+H      5.26636503      3.87085937     -0.34085477
+H      5.00171628      4.33609819      1.36021933
+H      4.07626272      5.14129271      0.06819866 
+
+15
+-1625.155603293466 11.07037 11.88825 -8.5042 -6.4758 -8.286 1.0485 0.0518 0.568 7.75981 -0.0371 4.5863909232 6.6527911936 0.465547711
+C      2.43465279     -0.63199809     -1.39622387
+C      2.34752838      0.04042053     -0.01763749
+C      2.95102085      1.41499451      0.01669528
+C      2.29892991      2.60230051      0.21151165
+O      3.17270301      3.66179944      0.16863695
+C      4.41321685      3.12664512     -0.06139947
+C      4.33660173      1.76783138     -0.16302429
+H      1.99241758     -1.63829661     -1.37028741
+H      3.47896430     -0.73129233     -1.72638643
+H      1.90122232     -0.04111590     -2.15465407
+H      2.85188987     -0.59562182      0.72932981
+H      1.29390792      0.10333474      0.29628716
+H      1.25981668      2.85763303      0.39143071
+H      5.22925883      3.83850776     -0.12045145
+H      5.16832895      1.09174773     -0.34082708 
+
+13
+-1483.340494704896 11.596501 11.53329 -8.3711 -6.4155 -8.136 0.8667 -0.6697 0.081 7.57451 0.4733 4.398713315 5.5565317788 0.532634676
+C      2.63115241     -1.20579143      0.38064108
+C      2.18901447      0.04529701      0.16358338
+C      3.01243013      1.24120536      0.07043608
+C      2.54824864      2.51705966     -0.15228497
+O      3.57600184      3.41886602     -0.18522766
+C      4.72797669      2.69756634      0.02227863
+C      4.44635109      1.37553505      0.18313772
+H      1.93661240     -2.04347110      0.43510757
+H      3.69086505     -1.43316628      0.50999156
+H      1.11327104      0.20741462      0.04196375
+H      1.55443366      2.92593084     -0.30111464
+H      5.64657509      3.27375084      0.02510860
+H      5.17018748      0.58649306      0.36079891 
+
+11
+-1325.6904106057614 11.04887 11.35454 -8.6967 -6.6927 -8.291 0.8891 -0.6677 0.139 7.78082 0.47479 4.1152317246 6.2928350384 0.596643898
+C      0.89991571      0.04194318     -0.00365171
+C      2.11619417      0.02826495     -0.00194248
+C      3.53012204     -0.00497888      0.00135596
+C      4.38494179      1.07499465      0.00280606
+O      5.68319362      0.65970678      0.00585753
+C      5.66203735     -0.71487158      0.00648846
+C      4.38039439     -1.17363547      0.00376805
+H     -0.17038555      0.05693211     -0.00540206
+H      4.21792841      2.14580917      0.00195733
+H      6.63226688     -1.19835944      0.00888739
+H      4.05331119     -2.20791546      0.00350548 
+
+19
+-1885.392942271417 11.464084 12.85693 -9.2937 -7.0646 -11.366 0.9033 -0.003 2.887 10.65843 -2.59598 9.1897307326 10.8318137152 0.172685117
+C      2.05331137     -0.39159741     -1.48504109
+C      2.41274600      0.07166757     -0.07136894
+C      3.14196584      1.41583495     -0.02153118
+C      2.32825554      2.63989891     -0.47596157
+C      3.09740756      3.79441045      0.16498273
+O      3.66427741      3.28024254      1.38871599
+C      3.54502709      1.84616224      1.39504463
+H      1.56576778     -1.37673139     -1.46685154
+H      2.95116233     -0.47608852     -2.11658361
+H      1.36380165      0.30969427     -1.97793688
+H      3.04397434     -0.69405647      0.41124359
+H      1.49676809      0.14474083      0.54147961
+H      4.05426085      1.35289620     -0.64325478
+H      1.30525324      2.57981741     -0.06742795
+H      2.25694713      2.73962277     -1.56771391
+H      3.91412124      4.14447883     -0.49408868
+H      2.46047327      4.65784879      0.41286047
+H      4.50664931      1.41491429      1.71670421
+H      2.76821997      1.54446373      2.12563891 
+
+17
+-1739.7735178166256 11.390339 12.39229 -9.3881 -7.1809 -9.665 1.2651 -0.0797 1.21 9.11032 -0.63249 6.6652765838 6.6652765838 0.43999334
+C      0.79314797      0.08026925      0.21162663
+C      2.13137850      0.08621499      0.22373558
+C      3.02239486      1.28669081      0.09966432
+C      2.36137855      2.67179596      0.06640486
+C      3.52567267      3.60277599      0.42520944
+O      4.47574908      2.81705999      1.18431161
+C      3.99189609      1.47194993      1.28250554
+H      0.23431151     -0.85105646      0.31174995
+H      0.20825238      0.99512000      0.09710645
+H      2.65624100     -0.87084307      0.32803983
+H      3.64058836      1.16649681     -0.81035338
+H      1.57360608      2.72528611      0.83415822
+H      1.91161024      2.91524420     -0.90569295
+H      4.03811079      3.98385562     -0.47532086
+H      3.20587182      4.46557095      1.03177693
+H      4.85799531      0.79402101      1.25024133
+H      3.45535478      1.31713788      2.23949651 
+
+15
+-1604.5099238176538 12.170075 12.11662 -8.6877 -6.5571 -8.327 0.4468 -1.0823 0.179 7.81473 0.38128 4.895029273 4.895029273 0.688872915
+C      1.05228322     -0.11837236     -0.36030977
+C      2.39437912     -0.01284988     -0.30619973
+C      3.12476709      1.23197240     -0.17278267
+C      4.46302811      1.38829583     -0.11188529
+C      4.81511383      2.83252374      0.02639263
+O      3.55995255      3.53511082      0.04321662
+C      2.47946159      2.59351606     -0.07729759
+H      0.56688932     -1.08890850     -0.46113985
+H      0.40052057      0.75574496     -0.30588238
+H      3.00240190     -0.92125719     -0.36487207
+H      5.20287534      0.58894410     -0.15524526
+H      5.37215178      3.04548100      0.96029005
+H      5.43493295      3.20018664     -0.81531287
+H      1.87923205      2.83142417     -0.97606960
+H      1.81586058      2.67651823      0.80442777 
+
+15
+-1603.1452509094447 11.049526 11.93177 -9.194 -7.1296 -9.862 0.9764 -0.8164 0.271 9.67116 0.50288 3.7555111428 6.5235357886 0.405242602
+C      0.83526955      0.30839961      0.70472811
+C      1.97584293      0.19902920      0.01145086
+C      3.09195367      1.20712606     -0.00347768
+C      2.75161479      2.70145639     -0.34738500
+C      3.61505435      3.11894032      0.84797372
+O      4.11896776      4.16357640      1.19294906
+C      3.69720457      1.67929551      1.36683071
+H      0.07282896     -0.46959625      0.66154059
+H      0.61320334      1.17100639      1.33952083
+H      2.12533517     -0.69484343     -0.60236549
+H      3.90033335      0.85552356     -0.65901467
+H      1.68985744      2.93543589     -0.17333800
+H      3.04496293      3.09233477     -1.33085867
+H      4.69140145      1.31219345      1.65467546
+H      3.00143974      1.51743214      2.20476015 
+
+15
+-1584.2738764910466 11.047993 12.17183 -9.6967 -7.5184 -9.871 0.942 -0.0287 2.21 9.44103 -1.78751 4.3495776632 10.550340698 0.286115533
+C      0.94768261     -0.08014271      0.23339232
+C      2.15184354     -0.02966613      0.08271712
+C      3.59611654      0.00702980     -0.07710684
+C      4.30556402      1.21130276      0.62337344
+C      5.51230280      0.55803708      1.33441461
+O      5.66068189     -0.75128131      0.76292839
+C      4.33147600     -1.21066236      0.54343644
+H     -0.11541848     -0.11708469      0.35653624
+H      3.83354675      0.03210563     -1.15281432
+H      3.63203922      1.70153296      1.33734500
+H      4.61634510      1.95663684     -0.11958156
+H      6.46003292      1.09161493      1.18421482
+H      5.32166154      0.47162613      2.42100550
+H      4.37286674     -2.08134633     -0.12300419
+H      3.84268882     -1.49902259      1.49462303 
+
+13
+-1446.0468827607756 11.579731 11.95309 -8.9789 -6.7932 -8.509 0.5182 -1.06 0.451 8.06469 0.11861 4.0750602606 5.7060093004 0.352741056
+C      0.95819110      0.06986204      0.01133208
+C      2.17186646     -0.02601089     -0.00026110
+C      3.58329670     -0.06289064     -0.00252175
+C      4.39386308     -1.13738207     -0.06742129
+C      5.82316873     -0.70424608     -0.03865880
+O      5.79196615      0.73120248      0.05126326
+C      4.43278750      1.19033055      0.07380462
+H     -0.11059451      0.13275337      0.01806807
+H      4.07278682     -2.17557913     -0.13119721
+H      6.37082121     -1.11940900      0.83015847
+H      6.37357835     -1.00859627     -0.95057709
+H      4.24542262      1.86226703     -0.78389312
+H      4.24046579      1.75800860      1.00260386 
+
+17
+-1744.8035279733986 11.611935 12.66741 -8.9878 -6.7711 -8.867 0.8789 -0.0075 1.351 8.29551 -0.66603 6.0296747534 6.0296747534 0.374404356
+C      1.01336384     -0.14233642      0.32988406
+C      2.38135666      0.07657601     -0.24327976
+C      3.08430753      1.21621234     -0.19607263
+C      2.69222193      2.53604891      0.44318329
+C      3.79404931      3.48143452     -0.06015936
+O      4.95270666      2.65346014     -0.22935833
+C      4.46757428      1.42448596     -0.78910864
+H      1.03097582     -0.92097273      1.11002041
+H      0.30973346     -0.49350085     -0.44199050
+H      0.59844013      0.77032494      0.77742179
+H      2.83730064     -0.78826857     -0.73965703
+H      2.72631249      2.45802388      1.54214500
+H      1.68400819      2.87104305      0.15932488
+H      3.50230445      3.93641135     -1.02834084
+H      4.05915032      4.28265661      0.64212319
+H      4.41086690      1.50633871     -1.89476370
+H      5.18393739      0.63047215     -0.53470183 
+
+17
+-1745.2667926035672 11.495287 12.47101 -8.8683 -6.5984 -8.73 0.9315 -0.0743 1.37 8.21462 -0.70498 5.8798624696 5.8798624696 0.318029467
+C      2.54573771     -0.61141158      1.45370881
+C      2.58941865     -0.00657618      0.03928832
+C      3.13275400      1.39076358      0.00072193
+C      4.26115519      1.83243061     -0.57151133
+C      4.41789227      3.30673548     -0.36203693
+O      3.25045225      3.71178328      0.37994893
+C      2.43301673      2.56062069      0.64685892
+H      2.16662088     -1.64250288      1.42334815
+H      1.88973552     -0.03507211      2.12154226
+H      3.54955965     -0.62942226      1.90190362
+H      1.56817758     -0.00917118     -0.38208646
+H      3.19854337     -0.64643522     -0.61727656
+H      4.98085624      1.22450307     -1.12063977
+H      5.32890472      3.56058544      0.21582364
+H      4.46298075      3.87299781     -1.31279598
+H      1.41905963      2.71943288      0.22763935
+H      2.32060487      2.43384857      1.74177310 
+
+19
+-1867.6599093280038 11.447992 12.73184 -9.3783 -7.194 -11.442 0.8736 -0.0632 2.643 11.60943 -2.31213 9.1932395364 10.1074255102 0.129958147
+C      1.86026270     -0.67034446     -1.30624989
+C      2.35425443     -0.07518287      0.01536110
+C      3.16394497      1.21932167     -0.12971048
+C      4.45380363      1.03364140     -0.92857386
+C      2.35077406      2.47378532     -0.55068220
+O      2.73179539      3.19339302      0.65637478
+C      3.37807630      2.00368236      1.19171216
+H      1.23178011     -1.55407670     -1.12725770
+H      2.69186069     -0.98431164     -1.95302114
+H      1.25396563      0.05572156     -1.87023989
+H      2.97057393     -0.81964994      0.55014350
+H      1.48763692      0.12965666      0.66669524
+H      5.02155162      1.97431470     -0.97420093
+H      4.24929689      0.71739237     -1.96201489
+H      5.09763530      0.27058774     -0.46298668
+H      1.25731673      2.32122134     -0.60159836
+H      2.69024008      2.99618268     -1.46097235
+H      4.42495222      2.20162651      1.47825268
+H      2.82876840      1.60061828      2.06188889 
+
+17
+-1750.8171638514334 11.207897 12.52739 -9.1955 -7.1458 -10.499 1.0502 -0.7502 0.336 9.63401 0.43434 3.7529074368 10.785480147 0.109864091
+C      2.25658602     -0.48032914     -1.51678468
+C      2.40171857      0.06829688     -0.09590672
+C      3.28154078      1.31030181     -0.01661316
+C      2.72875765      2.62593436     -0.65897016
+C      3.07509043      3.34813707      0.65041499
+O      3.15519279      4.51322690      0.96788462
+C      3.38628286      2.02751535      1.36756392
+H      1.60855875     -1.36774886     -1.53901195
+H      3.23413934     -0.76912739     -1.93203243
+H      1.81775976      0.26958951     -2.19230297
+H      2.82094381     -0.71153671      0.56231849
+H      1.40499749      0.31249299      0.31354984
+H      4.28565425      1.08623776     -0.41044038
+H      1.63859730      2.60039692     -0.82327368
+H      3.20942838      3.01915319     -1.56523084
+H      4.34012393      1.98900695      1.91156088
+H      2.57579790      1.74753241      2.06057426 
+
+19
+-1874.3686158929875 11.633341 13.06998 -9.7675 -7.5466 -11.543 0.8943 -0.0532 2.822 11.18479 -2.57906 9.4089627778 9.7263421406 0.131943525
+C      2.17998723     -0.53030855     -1.44227125
+C      2.42157889      0.01747180     -0.03360113
+C      3.26628826      1.28521396     -0.01543449
+C      2.64863168      2.60077293     -0.58303351
+C      3.22528669      3.38017817      0.63362071
+O      4.39511591      4.15560892      0.36759535
+C      3.47210149      2.01845848      1.34325545
+H      1.55609285     -1.43519187     -1.42043306
+H      3.12947255     -0.79097644     -1.93485658
+H      1.67012593      0.21078630     -2.07643386
+H      2.91351350     -0.75284824      0.58531851
+H      1.45345791      0.23143591      0.45411099
+H      4.23793587      1.07539843     -0.49637559
+H      1.54747882      2.57464670     -0.56798082
+H      2.97778486      2.95080739     -1.57180472
+H      2.54011469      4.07611703      1.13668597
+H      5.04356849      3.58230647     -0.07943449
+H      4.44187967      1.91172579      1.85032770
+H      2.67229471      1.77914681      2.06137484 
+
+13
+-1428.0864206326494 9.81974 10.66545 -10.1915 -7.9475 -10.034 1.0931 -0.4803 0.094 10.45721 0.54723 4.376209856 6.6855358962 0.451536826
+C      1.22098612      0.06145348      1.08867523
+C      1.87477503      0.41332526     -0.02260683
+C      3.05445279      1.32374735     -0.06875001
+C      2.82638073      2.78345930     -0.52938187
+C      3.28756428      3.13459176      0.88137681
+O      3.47584111      4.12066144      1.53770672
+O      3.47576455      1.81419264      1.26861458
+H      0.36131187     -0.60717087      1.04609198
+H      1.53447069      0.42875852      2.06703463
+H      1.56167690      0.02759442     -0.99917017
+H      3.91729056      0.84229368     -0.55556668
+H      1.78494290      3.05694047     -0.73672693
+H      3.48507247      3.15941254     -1.32124746 
+
+15
+-1574.7805707319042 9.918257 11.2006 -10.2204 -8.1175 -11.367 0.714 -0.2335 0.15 10.41663 0.4831 4.378317618 13.304379723 0.129421316
+C      2.19770667     -0.53774954     -1.46357634
+C      2.47366614      0.09319488     -0.09630933
+C      3.28914707      1.36327047     -0.21171300
+C      2.58328407      2.65317235     -0.66569198
+C      2.92062478      3.15539584      0.73595926
+O      2.77107385      4.15419101      1.38492593
+O      3.54838628      1.98172510      1.12337640
+H      1.61003609     -1.45907420     -1.35585300
+H      3.13294752     -0.79800204     -1.98132601
+H      1.63135095      0.14262768     -2.11702365
+H      3.02239832     -0.61424297      0.54512228
+H      1.52845181      0.32272966      0.42243976
+H      4.25787734      1.18413777     -0.70263138
+H      1.50600111      2.56670805     -0.85829134
+H      3.06084801      3.22609592     -1.46948761 
+
+19
+-1871.7352640860809 11.622939 13.19981 -9.2889 -7.1353 -11.33 0.9061 0.0133 2.802 10.68687 -2.52396 9.1648095466 10.3923701354 0.12734502
+C      2.25916572     -0.52615288     -1.59374258
+C      2.38956805     -0.04721910     -0.14531608
+C      3.22694413      1.21664806     -0.00492175
+C      2.63313557      2.56007587     -0.47677040
+O      2.96919085      3.20445534      0.78522870
+C      3.30775064      1.90708498      1.37852500
+C      4.62032917      1.93035131      2.12800051
+H      1.64675183     -1.43643210     -1.66015192
+H      3.24484447     -0.75317981     -2.02762456
+H      1.78582214      0.23904544     -2.22759573
+H      2.83844754     -0.84706031      0.46834384
+H      1.38691112      0.13991531      0.27671397
+H      4.23578939      1.05664433     -0.42026938
+H      1.53852753      2.52982924     -0.63518967
+H      3.11160036      3.06332856     -1.33123717
+H      2.48774949      1.57763812      2.04779307
+H      5.43921775      2.25474895      1.47007596
+H      4.85425372      0.92811192      2.51863223
+H      4.56524053      2.62199676      2.98111594 
+
+19
+-1874.4465920103642 11.639337 13.29261 -9.5376 -7.5289 -11.399 0.8902 -0.0032 2.626 10.72798 -2.30379 8.9553475982 10.574703947 0.239122754
+C      2.33951574     -1.48842532     -0.46102707
+C      1.87791693     -0.10623412      0.01254111
+C      3.00831004      0.78532542      0.50917840
+C      3.75363951      0.29216502      1.73013572
+O      3.84668139      1.31978949     -0.55948946
+C      2.96958529      2.22438300      0.15276189
+C      3.60363438      3.34530629      0.93373500
+H      1.49812919     -2.05338235     -0.88603809
+H      2.75662111     -2.08941001      0.35960323
+H      3.10996409     -1.39213742     -1.23954670
+H      1.13285254     -0.21178778      0.82018907
+H      1.37446119      0.41352581     -0.81732965
+H      4.56146473      0.97458913      2.01604326
+H      4.20418188     -0.69142482      1.53527412
+H      3.06582607      0.18466954      2.58319876
+H      2.10183666      2.53884593     -0.44667574
+H      4.46469948      3.00794790      1.52239891
+H      2.86699064      3.79964791      1.61361586
+H      3.95181912      4.13018637      0.24648137 
+
+13
+-1425.6416864341588 9.977783 10.78747 -9.9605 -7.8006 -10.046 1.0393 -0.6845 -0.001 9.55599 0.65935 4.313968884 6.7156272984 0.334795439
+C      0.99966481     -0.34318465     -0.13447473
+C      1.65200706      0.56882604      0.59411379
+C      2.68306291      1.50060266      0.04862629
+C      2.65294174      2.97836131      0.49035870
+O      3.99436906      2.85104993      1.10187420
+C      4.06065551      1.51049320      0.75663365
+O      4.94417149      0.73511621      0.98782985
+H      0.26622142     -1.01074398      0.31857618
+H      1.18163912     -0.45570124     -1.20584100
+H      1.45074733      0.64936310      1.66806294
+H      2.80692366      1.36834854     -1.03618480
+H      1.90925776      3.22981567      1.25701553
+H      2.66737814      3.72663320     -0.31126059 
+
+17
+-1677.7062752613322 10.59092 12.07652 -9.4985 -7.2663 -10.956 0.9135 -0.0452 2.96 10.68139 -2.66677 8.6623810788 10.4330127462 0.194841425
+C      2.99385950     -1.17446990     -0.51629676
+C      2.47918509      0.07238399      0.21062905
+C      3.42703726      1.24937243      0.09240097
+C      3.40220123      2.17018289     -1.11099731
+O      2.47452973      1.87572716     -2.13272702
+C      2.92458978      2.67676015      0.22102639
+O      3.70800919      3.67362367      0.84223924
+H      2.29890419     -2.01812983     -0.39610742
+H      3.97324169     -1.48959647     -0.12489852
+H      3.10737171     -0.97636945     -1.59139718
+H      2.32159034     -0.15363224      1.27914419
+H      1.49867412      0.35478389     -0.20134789
+H      4.43437195      1.08331552      0.48764898
+H      4.37238281      2.55372077     -1.44707450
+H      2.17980781      2.72083150     -2.51504318
+H      1.83793950      2.79513485      0.32232857
+H      3.71380409      3.49199108      1.79909238 
+
+15
+-1571.6742777449945 9.85516 11.09072 -10.1537 -8.0678 -11.247 0.915 -0.3073 0.166 10.35338 0.49596 4.3572275994 11.7361799978 0.129428008
+C      2.49271453     -0.56905793     -1.53658453
+C      2.46270299      0.01696489     -0.12339051
+C      3.20541425      1.34713288     -0.01641233
+C      2.54007474      2.62305325     -0.56405090
+O      2.53221360      3.22074755      0.79159721
+C      3.11107355      2.07788543      1.32831493
+O      3.37801349      1.86456265      2.47894498
+H      1.95263358     -1.52512285     -1.57706944
+H      3.52534939     -0.75314998     -1.86933274
+H      2.02244494      0.10733369     -2.26630975
+H      2.91889328     -0.68767166      0.58919900
+H      1.42005809      0.15797639      0.20694462
+H      4.25479174      1.23624104     -0.33201221
+H      1.51067884      2.50513715     -0.92863064
+H      3.13377299      3.24284749     -1.24713768 
+
+15
+-1609.3501327201614 12.255774 12.09259 -7.7664 -5.8112 -8.148 0.9217 -0.5871 0.192 7.66957 0.3677 4.7291484036 4.7291484036 0.617454383
+C      1.06601333     -0.18996755     -0.38616378
+C      2.39988856      0.00044382     -0.28917200
+C      3.05758439      1.27737917     -0.18555247
+C      4.38764834      1.49277506     -0.06038866
+O      4.77728963      2.79484088      0.03904205
+C      3.56437729      3.60552720     -0.14045927
+C      2.36907226      2.63015592     -0.14449009
+H      0.64475345     -1.19209971     -0.45783146
+H      0.36340040      0.64546590     -0.39629951
+H      3.05691457     -0.87597877     -0.28469101
+H      5.20155637      0.77054829     -0.01372798
+H      3.67699487      4.13803719     -1.09637406
+H      3.54258774      4.33647414      0.67787626
+H      1.71490940      2.78941989     -1.01534995
+H      1.74356940      2.72727858      0.75858193 
+
+15
+-1600.4018907327898 11.124579 11.61807 -8.4496 -6.3421 -8.962 1.182 -0.0621 1.177 9.07587 -0.63541 5.8554744234 6.6619785562 0.415200369
+C      0.82729661      0.50500622      0.04479938
+C      2.11740160      0.15702677      0.09476468
+C      3.29725176      1.10125587     -0.01776848
+C      4.00006196      1.36831514      1.34786413
+O      3.63732666      2.72474436      1.75455398
+C      3.13366870      3.32642670      0.62922378
+C      2.94763259      2.51854015     -0.42333549
+H      0.03680748     -0.23867824      0.15123417
+H      0.52613820      1.54501833     -0.09843620
+H      2.38088365     -0.89667639      0.24552567
+H      4.02781602      0.64738798     -0.70942194
+H      5.09661804      1.34204115      1.24887964
+H      3.68228842      0.68654309      2.14724585
+H      2.93711365      4.39163967      0.74040880
+H      2.54369465      2.81081921     -1.38810796 
+
+13
+-1450.9102426287657 11.598383 11.93125 -8.1041 -6.0735 -8.319 1.0271 -0.5316 0.468 7.91278 0.08197 4.048886816 11.1606369858 0.58287504
+C      0.95631180      0.02496190      0.05363113
+C      2.17344851     -0.03565895      0.00323737
+C      3.57822394     -0.03892692     -0.05311097
+C      4.39718586     -1.11377091     -0.12911272
+O      5.72893354     -0.83968263     -0.15006719
+C      5.85289448      0.62298535     -0.24315270
+C      4.45501683      1.20629349      0.03821120
+H     -0.11232941      0.06084487      0.09871222
+H      4.14099620     -2.17073906     -0.15878480
+H      6.20005997      0.84663562     -1.26322517
+H      6.62181832      0.92714560      0.47742709
+H      4.17134518      1.96941580     -0.69977987
+H      4.37814478      1.66276584      1.03816442 
+
+13
+-1443.6374657551169 10.787039 11.53423 -8.6596 -6.5546 -9.012 0.9739 -0.0359 1.014 8.59963 -0.46486 4.3401051328 10.680587991 0.745950977
+C      0.94074514     -0.01433149     -0.05353772
+C      2.15445338     -0.00386623     -0.02006647
+C      3.61761190      0.00617749      0.01825570
+C      4.24453926     -1.25347122      0.69552182
+O      4.77604646     -0.82719937      1.98558186
+C      4.76542499      0.54281229      1.96888567
+C      4.17960729      1.10990581      0.90727379
+H     -0.12978776     -0.02026452     -0.07536502
+H      3.98713106      0.09044135     -1.01789362
+H      5.08775338     -1.63823945      0.10274784
+H      3.51631508     -2.05243219      0.87623028
+H      5.22771205      1.00585650      2.83880326
+H      4.03936777      2.17151103      0.73270263 
+
+15
+-1611.1319593194628 12.130445 12.13153 -7.5603 -5.6414 -7.947 1.0069 -0.5316 0.349 7.52203 0.22263 4.6141761858 4.6141761858 0.521086426
+C      0.95374795     -0.10789969     -0.11234989
+C      2.41024422      0.06161214      0.19412274
+C      3.10469288      1.21814060      0.11397986
+C      4.58529806      1.37715389      0.42965302
+O      4.90180156      2.78983246      0.20803610
+C      3.73726501      3.38024340     -0.19124098
+C      2.67065534      2.55389887     -0.26951368
+H      0.79623663     -0.84117255     -0.92075006
+H      0.48057857      0.83370952     -0.42039517
+H      0.40136519     -0.48752727      0.76354776
+H      2.94630390     -0.83955592      0.51014844
+H      5.23731024      0.78851834     -0.23297853
+H      4.83417806      1.14702385      1.47645324
+H      3.81718119      4.44608071     -0.39638820
+H      1.67090119      2.85275164     -0.56866465 
+
+17
+-1747.989851221348 11.431832 12.44456 -7.9897 -5.8929 -8.58 0.9027 -0.0109 1.379 8.11095 -0.76023 5.6851796524 5.6851796524 0.250601752
+C      2.61865913     -0.50913785      1.51596001
+C      2.62713611      0.00103879      0.06486783
+C      3.05116691      1.42989774     -0.07415325
+C      4.13427098      1.91022702     -0.70433034
+O      4.30490781      3.27542300     -0.66189876
+C      3.07868415      3.80614138     -0.06197729
+C      2.33419096      2.60943323      0.56242437
+H      2.29529420     -1.55911842      1.55975871
+H      1.93104893      0.07586402      2.14432943
+H      3.62158825     -0.44026456      1.96189032
+H      1.61373862     -0.12571388     -0.35892346
+H      3.29336244     -0.63170596     -0.54307673
+H      4.91848910      1.37667479     -1.23999058
+H      2.49542289      4.27126741     -0.87308008
+H      3.37347960      4.58008361      0.65814010
+H      1.25849733      2.63119596      0.32515908
+H      2.42353259      2.58842372      1.66295065 
+
+19
+-1871.851303044882 11.588158 12.92552 -9.9259 -7.6717 -11.252 0.9154 -0.0421 2.723 10.86593 -2.36955 8.8608330704 11.34409907 0.146337948
+C      0.52152530      1.13731120      0.51597718
+C      1.70502011      0.55795628     -0.26796203
+C      3.05110454      1.23304183     -0.02269433
+C      3.69724808      1.03923473      1.33728710
+O      3.00444015      1.66697799      2.42642429
+C      4.01054990      1.30750942     -1.19293648
+C      3.31389830      2.55983448     -0.71400355
+H     -0.41272109      0.62998585      0.23446957
+H      0.39462034      2.20978905      0.30166393
+H      0.66273361      1.02638874      1.59836153
+H      1.48430874      0.61757563     -1.34699860
+H      1.80829245     -0.51767617     -0.03998389
+H      4.74520759      1.39394633      1.29357267
+H      3.72348243     -0.03188275      1.59383653
+H      2.88011793      2.60150950      2.18138175
+H      3.68653418      0.87009889     -2.13830319
+H      5.07883958      1.21052577     -0.99229739
+H      3.91876978      3.30979578     -0.19928987
+H      2.51842809      2.97316743     -1.33617520 
+
+17
+-1746.13391652002 11.350937 12.26074 -8.1953 -6.1462 -8.92 0.9875 0.0091 1.275 8.49973 -0.71018 5.8738739458 5.8738739458 0.240914812
+C      2.26668809     -0.48368609     -1.57660093
+C      2.43998959      0.05827403     -0.15733797
+C      3.41645533      1.24562733     -0.06265214
+C      3.61772646      1.74167304      1.39545361
+O      3.40141434      3.19034393      1.41120049
+C      2.98030527      3.52357104      0.14902160
+C      2.95100160      2.52016074     -0.73763858
+H      1.59533080     -1.35396593     -1.58955278
+H      3.23156756     -0.80072412     -2.00211869
+H      1.83795223      0.27412664     -2.24873033
+H      2.80701949     -0.74993109      0.49914328
+H      1.46386832      0.37432339      0.24828624
+H      4.38296546      0.91961529     -0.49345342
+H      4.62702656      1.55830403      1.78767903
+H      2.87914543      1.29446973      2.08089346
+H      2.72999286      4.57606289      0.02452112
+H      2.67279062      2.61347517     -1.78339398 
+
+17
+-1689.589219847 10.365169 11.67011 -9.656 -7.3632 -11.386 0.9326 0.0056 2.867 10.87275 -2.5811 9.1262251034 10.4903438726 0.112503078
+C      2.29164629     -0.33313880     -1.58114470
+C      2.45962079      0.11847934     -0.12834154
+C      3.16444853      1.46012051     -0.00241461
+C      2.41026051      2.67946150     -0.52771532
+O      2.97783673      3.76124337      0.22040767
+C      3.40164213      3.21137938      1.47180399
+O      3.30284689      1.79465539      1.39433636
+H      1.83023046     -1.32890880     -1.62699299
+H      3.26101004     -0.39296636     -2.09876327
+H      1.64880558      0.35327878     -2.15206902
+H      3.04331367     -0.62733459      0.43299734
+H      1.47980510      0.19352128      0.37068521
+H      4.16708503      1.41287224     -0.47580919
+H      1.32471997      2.58128245     -0.33037983
+H      2.57592246      2.88485708     -1.59369608
+H      4.44468000      3.53841970      1.64260267
+H      2.75006583      3.54838753      2.29856332 
+
+15
+-1541.8250237563216 10.24365 11.19357 -9.6987 -7.4249 -9.852 1.3346 -0.29 1.136 9.31181 -0.57271 6.7430777988 6.7430777988 0.430603362
+C      0.83617304      0.06989997      0.05313344
+C      2.14652166      0.13546222      0.30872505
+C      3.00458289      1.35169284      0.13257704
+C      2.32940016      2.72113699      0.18633018
+O      3.41505133      3.58301760      0.54605053
+C      4.24235071      2.82061826      1.42118311
+O      3.93617495      1.43699257      1.23699707
+H      0.28748992     -0.86516711      0.17104771
+H      0.26168023      0.93394407     -0.28794072
+H      2.68503254     -0.75634545      0.64244234
+H      3.57715654      1.26354637     -0.81478543
+H      1.53184183      2.73311785      0.95246388
+H      1.93387942      3.06759526     -0.77682706
+H      5.29228358      3.03827185      1.15692003
+H      4.04802122      3.06950671      2.48188282 
+
+13
+-1408.3392052296804 11.220985 10.96824 -7.6747 -5.6851 -8.245 0.7644 -0.8145 0.072 7.82268 0.45245 4.6863236392 4.6863236392 0.577011464
+C      1.17906207     -0.17819133     -0.60303433
+C      2.48550726     -0.02419024     -0.30515693
+C      3.17492330      1.23277239     -0.25170421
+C      4.46100735      1.52631279      0.02992807
+O      4.70359793      2.88229488     -0.03202132
+C      3.43262278      3.47617607     -0.38822797
+O      2.47861847      2.41598002     -0.52305723
+H      0.72498654     -1.16771751     -0.62389692
+H      0.54507912      0.67881789     -0.83006301
+H      3.10646002     -0.89496463     -0.08000169
+H      5.29909807      0.88934736      0.28683983
+H      3.54099048      4.00893121     -1.34912338
+H      3.11885660      4.16430111      0.41611910 
+
+13
+-1384.5403825841029 9.834509 10.84549 -10.0812 -7.8183 -10.056 1.2005 -0.0793 2.067 9.65627 -1.64579 4.3828183098 11.5877687558 0.230419912
+C      1.06858244     -0.15792267      0.22896169
+C      2.26575565     -0.05913119      0.05561144
+C      3.70078928      0.09382377     -0.16019779
+C      4.34480867      1.16902349      0.77560663
+O      5.55073543      0.55165416      1.22508233
+C      5.19652840     -0.81676121      1.31681246
+O      4.44305102     -1.11353005      0.14438182
+H      0.01367380     -0.26150360      0.38251625
+H      3.89138643      0.32176707     -1.22159394
+H      3.66950197      1.38833766      1.62105122
+H      4.60179573      2.09617256      0.24982330
+H      6.10799629     -1.42841023      1.31768321
+H      4.58557489     -0.99967978      2.22565139 
+
+11
+-1246.84717833951 10.458136 10.73 -8.097 -6.0922 -8.54 0.8216 -0.8594 0.201 8.17323 0.29126 4.1409712182 11.133012905 0.298351448
+C      0.96300684      0.05828726     -0.04334765
+C      2.17844983     -0.00894360     -0.01713297
+C      3.57761159     -0.07301813      0.01498480
+C      4.42260015     -1.12660142      0.01318256
+O      5.73283612     -0.71551349      0.12146274
+C      5.66107954      0.70593585     -0.14023381
+O      4.32550289      1.11689701      0.15078201
+H     -0.10606792      0.10897853     -0.06605341
+H      4.22723918     -2.19210334     -0.00068511
+H      5.88472942      0.87442479     -1.21361921
+H      6.36364235      1.23382655      0.51677006 
+
+15
+-1551.2886621910325 10.497758 11.41797 -8.4536 -6.3209 -8.881 0.8994 -0.0018 1.252 8.3854 -0.63876 5.9498029722 5.9498029722 0.357539755
+C      1.10258923     -0.07506310      0.31943518
+C      2.37550555      0.17675724     -0.43192159
+C      3.08310162      1.31107852     -0.36475327
+C      2.84034152      2.56635868      0.44916111
+O      3.72680415      3.52873554     -0.14398211
+C      4.79979242      2.75379791     -0.63118606
+O      4.23735112      1.52010061     -1.10276702
+H      1.19801711     -0.94362163      0.99151462
+H      0.26868654     -0.29869487     -0.36614309
+H      0.80189237      0.78333724      0.93618648
+H      2.75195916     -0.61624076     -1.08235995
+H      3.08818200      2.41087740      1.51735589
+H      1.81607107      2.95275571      0.36972773
+H      5.27586099      3.27709938     -1.47067713
+H      5.53228516      2.52830214      0.17166920 
+
+15
+-1549.7549122361122 10.325226 11.31901 -7.8806 -5.8126 -8.778 0.9732 0.0278 1.109 8.36429 -0.56284 5.5300731664 5.5300731664 0.19105206
+C      2.52549003     -0.29000192      1.59798299
+C      2.67248751      0.01326462      0.09822175
+C      3.11852334      1.39952724     -0.19375411
+C      4.19787495      1.90996884     -0.80388031
+O      4.10482646      3.30061734     -0.91123188
+C      3.05942044      3.61710371      0.01799851
+O      2.24408220      2.44585040      0.14834510
+H      2.16056497     -1.31510205      1.75221360
+H      1.81185564      0.40080206      2.06693054
+H      3.49012755     -0.18587482      2.11478092
+H      1.70421189     -0.15351776     -0.40557988
+H      3.39146271     -0.67837689     -0.36578137
+H      5.05438900      1.43481404     -1.26710592
+H      2.45729472      4.44854103     -0.36988825
+H      3.51184860      3.85536417      1.00477831 
+
+17
+-1675.2597029799417 10.337893 11.68524 -9.9017 -7.6769 -11.711 0.9269 0.0141 2.374 11.0556 -2.05849 9.0474691962 11.0837160714 0.237518959
+C      0.81194317     -0.46245702      0.56721496
+C      1.92807183     -0.09032540     -0.41514337
+C      2.90016002      0.96309460      0.08626384
+C      3.73187426      0.66828829      1.32748761
+O      2.97666000      0.79073178      2.53483957
+C      3.40382398      1.98642092     -0.85222923
+O      2.38080248      2.33003373      0.10233505
+H      0.13783888     -1.20181603      0.11230928
+H      0.21495653      0.42294189      0.82798330
+H      1.21019638     -0.88311904      1.49915063
+H      1.48416699      0.27943083     -1.35271836
+H      2.51405664     -0.98833288     -0.67842503
+H      4.60846236      1.34197865      1.34608142
+H      4.10229339     -0.36803860      1.30050180
+H      2.58074806      1.68226171      2.51322512
+H      3.07187029      1.96000613     -1.89596944
+H      4.38027474      2.45272045     -0.67935714 
+
+19
+-1872.2634685925825 11.748654 13.65185 -9.6769 -7.6352 -11.69 0.9182 0.0276 2.757 11.40149 -2.51254 9.1886148586 10.77314354 0.358906844
+C      1.51096967     -0.43040039      1.01369444
+C      2.10337837      0.31635491     -0.18613243
+C      3.15756563      1.31539094      0.22722052
+O      3.54311138      2.31071469     -0.74840594
+C      2.86132247      2.74117293      0.45735235
+C      3.64932271      3.61119872      1.40536200
+C      3.78816631      5.04990616      0.89790841
+H      0.76841063     -1.17228072      0.68896832
+H      1.01327396      0.26256923      1.70863553
+H      2.29003294     -0.96604300      1.57735996
+H      1.31438076      0.84603192     -0.74232048
+H      2.55618950     -0.40223573     -0.88951747
+H      4.01079145      0.89283610      0.77906884
+H      1.82662502      3.06732783      0.27137839
+H      4.64488948      3.16284621      1.55173892
+H      3.14427729      3.60232107      2.38691736
+H      4.29690550      5.06869993     -0.07618186
+H      4.37056089      5.66468031      1.59843366
+H      2.80331604      5.52523890      0.77334948 
+
+15
+-1582.2975809313007 12.193824 12.8386 -9.2753 -7.1477 -9.314 0.9962 -0.6573 0.838 8.92703 -0.30416 6.2750182502 6.2750182502 0.71450667
+C      0.96313452      0.00673157      0.59414688
+C      1.58693649      0.98417032     -0.07713555
+C      2.89776793      1.52992531      0.31408609
+O      3.80114142      1.90358013     -0.75969253
+C      3.26746898      2.95565408      0.05539423
+C      4.19747664      3.69223595      0.94427405
+C      5.51000596      3.44560481      1.03162429
+H     -0.01597904     -0.36104957      0.28744871
+H      1.41389227     -0.45405296      1.47631282
+H      1.13155681      1.42812604     -0.96798078
+H      3.39659689      1.05014075      1.16542399
+H      2.50449363      3.56843268     -0.44481567
+H      3.73838338      4.48692759      1.54126112
+H      5.97237669      2.66983949      0.41865437
+H      6.14822743      4.01520382      1.70694800 
+
+13
+-1422.1164990877464 11.617593 12.51437 -9.5721 -7.4 -9.451 1.0253 -0.6596 0.971 9.0795 -0.40852 4.3606124172 6.4119607872 0.3900993
+C      1.76322662     -0.23340871     -1.23945624
+C      2.21673393      0.07917329     -0.01977479
+C      3.31548457      1.04087453      0.23658011
+O      3.92138566      1.69064288     -0.88904696
+C      3.13683573      2.51139862      0.01204516
+C      3.83163726      3.48986085      0.80143081
+C      4.39018908      4.33475537      1.47110264
+H      0.94992569     -0.94611889     -1.37370479
+H      2.20616987      0.21488829     -2.13041110
+H      1.78944291     -0.38726926      0.87354203
+H      4.02286349      0.76889222      1.03060278
+H      2.17202668      2.82676810     -0.40172794
+H      4.89270851      5.07732273      2.05693828 
+
+11
+-1262.1421007160804 11.258912 12.3547 -9.9432 -7.7018 -9.706 1.2126 -0.5366 1.506 9.47635 -1.29295 4.3600172844 11.1146505784 0.79609293
+C      0.97300849     -0.03729282     -0.09269019
+C      2.18360084      0.03321698     -0.04031945
+C      3.61445233      0.12090127      0.05197539
+O      4.40059010     -0.57637868     -0.94110047
+C      4.40846606      0.86908427     -0.97299212
+C      5.62642316      1.54440152     -0.62105254
+C      6.64444803      2.14293699     -0.34068591
+H     -0.09476184     -0.10218627     -0.14693297
+H      4.03410013      0.07841648      1.06302207
+H      3.84642404      1.29918601     -1.80927634
+H      7.54950866      2.65856425     -0.09112747 
+
+19
+-1875.130436033501 11.741876 13.45684 -9.5416 -7.5447 -11.442 0.8962 0.0093 2.65 10.73267 -2.35314 9.0127407176 10.5901278054 0.309286701
+C      2.88045555     -1.00922316     -0.40347577
+C      2.33449072      0.18440735      0.38797230
+C      3.35899138      1.28527519      0.52240515
+O      3.62414654      2.10353261     -0.64451703
+C      3.08403762      2.74143616      0.54831286
+C      1.68508873      3.30108808      0.40892524
+C      4.06385750      3.65283078      1.25863470
+H      2.12568842     -1.80269822     -0.49506051
+H      3.76496594     -1.44261219      0.08775160
+H      3.17583310     -0.70015835     -1.41619639
+H      2.04321615     -0.13912068      1.40237655
+H      1.42753655      0.56961181     -0.09902721
+H      4.28011995      0.96609823      1.03568990
+H      1.02771690      2.62991698     -0.15455601
+H      1.72097521      4.26403813     -0.12229495
+H      1.24024091      3.48159196      1.39924810
+H      5.06309907      3.19972570      1.29309019
+H      3.73337917      3.85597833      2.28863003
+H      4.13983062      4.61650129      0.73250125 
+
+17
+-1727.6054418363785 11.997627 13.21962 -9.4777 -7.3355 -9.665 1.3604 -0.2979 0.997 9.1737 -0.43719 6.5544950928 6.5544950928 0.532926491
+C      0.83119555      0.19933133      0.27723229
+C      2.14345555      0.46191737     -0.46830487
+C      3.14523096      1.20303452      0.38503971
+O      4.26341742      1.81613642     -0.27814433
+C      3.27029430      2.67979183      0.34898232
+C      3.71691483      3.45736852      1.51932097
+C      3.32851221      4.71504078      1.76880904
+H      0.12973304     -0.36811151     -0.34960306
+H      0.34063259      1.13999555      0.56724816
+H      1.00154314     -0.38397528      1.19473825
+H      1.96247379      1.04198632     -1.38671279
+H      2.59499808     -0.49366038     -0.78375808
+H      3.41149444      0.70818947      1.33094257
+H      2.63446139      3.21557779     -0.36854367
+H      4.40267668      2.94184020      2.19936329
+H      2.65622024      5.24787539      1.09178388
+H      3.66494579      5.25057169      2.65651633 
+
+15
+-1567.8697093108328 11.507234 13.09306 -9.8748 -7.6378 -9.894 1.2756 0.025 1.913 9.51825 -1.51636 4.3624102142 10.3785704936 0.26497665
+C      3.05398630     -1.27922103     -0.34763559
+C      2.41161501      0.00091324      0.19654931
+C      3.43076635      1.08032967      0.46208544
+O      3.94050823      1.80056649     -0.67837284
+C      3.12267784      2.52131830      0.28335449
+C      3.76261196      3.54143868      1.06955039
+C      4.27610976      4.42006892      1.73178358
+H      2.29533415     -2.05159225     -0.53412651
+H      3.78486119     -1.69209026      0.36366453
+H      3.57761148     -1.08061425     -1.29325182
+H      1.88109406     -0.21134077      1.14031851
+H      1.66424906      0.38448124     -0.51573972
+H      4.20552659      0.83936841      1.20282369
+H      2.12451676      2.77939244     -0.09088095
+H      4.73973127      5.19051116      2.31334748 
+
+17
+-1677.4280851493552 10.569401 12.19156 -9.9492 -7.7527 -11.773 0.879 -0.0351 2.539 11.0614 -2.29475 9.1812996846 10.8658478722 0.250323792
+C      1.63932255     -0.43598107      1.24047033
+C      2.24064314      0.20614575     -0.01380542
+C      3.21615069      1.30802936      0.32293280
+O      3.59476829      2.20646994     -0.74428666
+C      2.82065799      2.72826123      0.36976984
+C      3.54108798      3.73999837      1.22153283
+O      3.65969830      5.00479272      0.56408452
+H      0.95138721     -1.24957118      0.97309851
+H      1.07660801      0.29834496      1.83551732
+H      2.42104093     -0.86217715      1.88699766
+H      1.44942875      0.61834060     -0.65872024
+H      2.76843016     -0.55656590     -0.60989235
+H      4.06215808      1.00610353      0.95774818
+H      1.78794707      2.98613251      0.10004024
+H      4.53233431      3.34088424      1.50590151
+H      2.96970068      3.93094506      2.14332468
+H      4.13266584      4.84054705     -0.27240374 
+
+13
+-1396.8390564107488 10.089391 10.97047 -9.9742 -7.7968 -10.384 0.5426 -1.4445 -0.411 10.28779 1.01554 3.6349471564 6.7956602614 0.416768351
+C      1.02750748      0.24342788      0.58024930
+C      2.22585392      0.15861867     -0.00517709
+C      3.30332618      1.17804142      0.11541782
+O      3.57450598      2.00631310     -1.03167749
+C      3.00185521      2.63345204      0.13851602
+C      3.91624216      3.54044620      0.89389898
+O      3.52702290      4.44420714      1.61010819
+H      0.28607047     -0.54833690      0.46779733
+H      0.75033837      1.10058587      1.19780146
+H      2.48652556     -0.72055498     -0.60364522
+H      4.21927998      0.84199213      0.62256039
+H      1.96170017      2.96146362      0.04739057
+H      5.00496161      3.31812381      0.74726973 
+
+15
+-1544.9626334521254 10.258049 11.46005 -9.8792 -7.7024 -11.162 0.6245 -1.3498 -0.37 10.24931 0.97123 3.6415804074 11.223336706 0.243508997
+C      0.82426832      0.83633213     -0.44247279
+C      2.29564916      0.43758663     -0.29598224
+C      3.05660627      1.38786742      0.59677685
+O      4.48560731      1.39297276      0.52368367
+C      3.78399270      2.55784117      0.03000288
+C      3.91772259      3.78784342      0.86039907
+O      3.76753913      4.91656407      0.42817686
+H      0.28693650      0.11379618     -1.07098262
+H      0.72242360      1.82821390     -0.90581318
+H      0.31757364      0.86819943      0.53339786
+H      2.79235163      0.39822655     -1.27725943
+H      2.37150690     -0.57296481      0.13852643
+H      2.66961677      1.49218654      1.62099939
+H      3.78808244      2.70141267     -1.05612158
+H      4.16470303      3.58600194      1.93497883 
+
+19
+-1871.8370956452234 11.655418 13.26717 -9.2615 -7.1196 -11.32 0.9187 0.0426 2.841 10.67833 -2.58234 9.155002254 9.86990553 0.125306771
+C      2.37278047     -0.54640238     -1.56642353
+C      2.45333427     -0.03024012     -0.12775156
+C      3.38696658      1.15341271      0.02910160
+O      2.91887121      2.35423615     -0.67409793
+C      3.17754958      3.16540736      0.50693310
+C      3.42439505      1.91610933      1.37587652
+C      4.68676378      1.84884392      2.21925946
+H      1.66630236     -1.38437150     -1.64747704
+H      3.35419435     -0.89891602     -1.91836842
+H      2.03628662      0.24885725     -2.24612373
+H      2.80969177     -0.83072461      0.54458563
+H      1.45197338      0.26581859      0.22659140
+H      4.40403479      0.88793289     -0.32615616
+H      4.07550551      3.79703771      0.37400981
+H      2.31703525      3.80372473      0.76184933
+H      2.53850399      1.66983167      1.98242936
+H      5.57550811      2.09753681      1.61953936
+H      4.83336846      0.84247335      2.63947322
+H      4.64143448      2.55407216      3.06271958 
+
+19
+-1875.0124628425488 11.726956 13.32542 -9.3171 -7.1685 -10.64 0.8354 -0.1319 2.861 10.28274 -2.50182 8.388706781 12.2167249366 0.16434784
+C      2.91774683     -1.23426117     -0.50398572
+C      2.37957012      0.02690745      0.17724070
+C      3.38684186      1.16176046      0.22805733
+O      4.57908111      0.85567720      0.93988278
+C      3.61032199      2.02570365     -0.98124933
+C      2.90530351      2.60399087      0.23871836
+C      3.58497214      3.65641356      1.08392614
+H      2.17249723     -2.04200230     -0.48829911
+H      3.82510518     -1.59350605      0.00064803
+H      3.17881405     -1.03320911     -1.55359387
+H      2.06125068     -0.21043570      1.20946399
+H      1.47575625      0.38419898     -0.34277386
+H      4.33647809      0.75133200      1.87855252
+H      3.03098988      1.82092469     -1.88287839
+H      4.63675541      2.35389529     -1.15312067
+H      1.82173984      2.72283777      0.13967349
+H      4.65550702      3.43687238      1.19576416
+H      3.14265570      3.70890550      2.09139286
+H      3.48739312      4.65291452      0.62711058 
+
+17
+-1678.2361848311214 10.535781 11.94879 -9.597 -7.4322 -11.495 0.9554 -0.0596 2.641 10.93103 -2.38431 9.0178365422 10.4559377576 0.081885167
+C      2.39349270     -0.55589866     -1.49748873
+C      2.50103584     -0.03704565     -0.06159903
+C      3.37149347      1.19534566      0.05849002
+O      2.82435444      2.37065735     -0.63135738
+C      3.17819280      3.22451475      0.49163816
+C      3.42323054      1.99228622      1.38440636
+O      4.56711791      1.92508104      2.21163454
+H      1.74675002     -1.44225921     -1.55147223
+H      3.38092751     -0.83609844     -1.89390618
+H      1.97156702      0.21368536     -2.15829067
+H      2.93009235     -0.81184733      0.59687804
+H      1.49956882      0.20244734      0.33224985
+H      4.39703043      0.98367553     -0.31502847
+H      4.10449210      3.79863745      0.29532655
+H      2.36656605      3.91736188      0.75893848
+H      2.56698891      1.76322993      2.03490077
+H      5.34502909      2.13736677      1.66329992 
+
+13
+-1403.5811162308219 9.978196 10.64729 -9.4945 -7.3321 -9.743 0.594 -1.2578 -0.055 9.32653 0.796 3.6756517602 6.6106979466 0.304650382
+C      0.88777851      0.38339470      0.32012687
+C      2.19602329      0.11225460      0.27463704
+C      3.25492441      1.12929385      0.00025150
+O      2.77280500      2.48761472     -0.22728245
+C      3.48566091      3.03584000      0.91801171
+C      4.05076784      1.65081434      1.22659506
+O      4.79163412      1.17198822      2.04411640
+H      0.15922235     -0.39992729      0.52758274
+H      0.51989708      1.39348649      0.13501362
+H      2.57181105     -0.90065979      0.44942378
+H      3.92719865      0.79723187     -0.81455559
+H      4.23799419      3.79048422      0.63419894
+H      2.80961262      3.44903405      1.68491036 
+
+17
+-1679.959955515698 10.511657 11.86853 -9.0569 -6.8799 -10.628 0.789 -0.2637 2.638 10.33954 -2.28646 8.1537161152 10.318548871 0.186577775
+C      3.03610310     -1.21981212     -0.46492596
+C      2.39631314      0.02363991      0.16022462
+C      3.31248803      1.22704619      0.18592060
+O      4.48339895      1.08520359      0.99132579
+C      3.55125119      2.05603530     -1.05474699
+C      2.78748252      2.64724618      0.11906816
+O      3.38231008      3.62664566      0.93084739
+H      2.34146196     -2.07112201     -0.45052820
+H      3.94564331     -1.51126387      0.07824409
+H      3.32054344     -1.03044680     -1.51038236
+H      2.06683651     -0.19587220      1.19302963
+H      1.48267381      0.29913734     -0.39129320
+H      4.18322156      0.82877129      1.88422781
+H      3.01159016      1.79114645     -1.96553593
+H      4.56660963      2.42681155     -1.20455507
+H      1.71292569      2.81513128      0.01787365
+H      4.20904691      3.21981227      1.26437599 
+
+15
+-1549.6799811428145 10.052432 11.25219 -9.7332 -7.6011 -10.657 0.7408 -1.1395 0.05 9.90738 0.70874 3.7105538192 10.8628970054 0.082634521
+C      2.47396569     -0.60376667     -1.42029923
+C      2.51177180     -0.00223853     -0.01411568
+C      3.47325313      1.17063411      0.09256036
+O      3.06841327      2.35585326     -0.67846029
+C      3.04445376      3.21814360      0.49342573
+C      3.42542469      2.02338325      1.36879323
+O      3.58983977      1.82500586      2.54686064
+H      1.75585167     -1.43373336     -1.47127525
+H      3.46082078     -0.99231967     -1.71314747
+H      2.17398507      0.15125886     -2.15981273
+H      2.83276527     -0.75514978      0.72448698
+H      1.50599002      0.33312346      0.28579361
+H      4.50223982      0.86485798     -0.17843915
+H      3.80047199      4.02092837      0.45212860
+H      2.05031326      3.65405925      0.68781064 
+
+15
+-1597.5692246305346 11.224493 11.75116 -9.1378 -6.9308 -9.111 1.5111 -0.1152 1.205 9.22363 -0.64284 6.0853692646 6.791085178 0.380058354
+C      0.85927640      0.43768446     -0.25430370
+C      2.13506916      0.21784131      0.07818626
+C      3.25705399      1.22952959      0.01018371
+O      3.87441090      1.35965510      1.32306524
+C      3.69761882      2.70314908      1.80387049
+C      3.10764534      3.46297315      0.65474808
+C      2.86437086      2.63294003     -0.36291636
+H      0.11035852     -0.35159212     -0.17609023
+H      0.51596595      1.41206659     -0.60858488
+H      2.44473675     -0.76814307      0.43909406
+H      4.03456336      0.83537113     -0.67626376
+H      4.68022090      3.10066067      2.11831150
+H      3.03413949      2.71160579      2.69145358
+H      2.91534605      4.53523254      0.68026089
+H      2.44501349      2.89894575     -1.33187487 
+
+13
+-1439.4108322515858 10.877403 11.62327 -9.5056 -7.2827 -9.148 1.4768 -0.1858 1.033 8.7114 -0.43758 4.3637988574 6.0386017454 0.336420168
+C      0.92122712      0.04414681     -0.10303700
+C      2.13188968      0.00023540     -0.02847606
+C      3.59877827     -0.02567147      0.04907042
+O      4.08495060     -1.21720750      0.71237479
+C      4.71825769     -0.85039156      1.95320477
+C      4.77807731      0.64636969      1.94297118
+C      4.15390822      1.12326037      0.86460443
+H     -0.14779173      0.06897383     -0.16145008
+H      4.00029066     -0.02850092     -0.98329278
+H      5.71677947     -1.32174219      1.98763048
+H      4.13361228     -1.23487074      2.81173782
+H      5.25321039      1.23327286      2.72822317
+H      4.00572004      2.16482543      0.58689886 
+
+15
+-1612.3986933085355 12.328194 12.26083 -7.7245 -5.7521 -7.939 0.8404 -0.711 0.382 7.49921 0.18007 4.6567157824 4.6567157824 0.542747941
+C      0.99779420     -0.11415763     -0.20124662
+C      2.37309924      0.12631236      0.33881699
+C      3.02908677      1.30614946      0.30137940
+O      4.31213226      1.43146883      0.82815905
+C      4.76166047      2.79063125      0.64887890
+C      3.62683182      3.48523286     -0.03535810
+C      2.62967676      2.60231189     -0.22837791
+H      1.00281974     -0.90219681     -0.97268951
+H      0.55965425      0.78545883     -0.65426249
+H      0.30848454     -0.45570345      0.58891327
+H      2.89287403     -0.71675806      0.80026325
+H      5.69128581      2.78444342      0.04953901
+H      5.00197694      3.22213743      1.63844658
+H      3.64043043      4.53645557     -0.31644018
+H      1.67042275      2.80073405     -0.69989162 
+
+19
+-1876.1695249199959 11.56739 12.9138 -9.6413 -7.4782 -11.308 0.8777 -0.113 2.794 10.96293 -2.49434 9.0575120622 9.6987180598 0.147984551
+C      2.10618515     -0.53222152     -1.43423557
+C      2.44967651      0.00325655     -0.04272741
+C      3.26228980      1.29223399     -0.06276102
+O      4.50573650      0.97841488     -0.71188188
+C      2.57723211      2.58136303     -0.62785867
+C      3.10409198      3.38185557      0.59582277
+C      3.45290019      2.03950623      1.29680067
+H      1.52255104     -1.46095329     -1.36433652
+H      3.01897561     -0.74162373     -2.00739108
+H      1.50835359      0.19434315     -2.00569715
+H      3.02555833     -0.74980424      0.52147449
+H      1.52714451      0.19179736      0.52971343
+H      5.03448544      1.79301782     -0.76526173
+H      1.48041134      2.49622460     -0.63579178
+H      2.90965721      2.89600927     -1.62744927
+H      3.99253759      3.98650451      0.36197145
+H      2.38045757      4.03050896      1.10673645
+H      4.45064475      1.94120650      1.74746957
+H      2.70026080      1.74131034      2.04144326 
+
+17
+-1744.9496947368234 11.458712 12.37732 -8.9882 -6.7562 -9.047 1.2357 -0.0305 1.283 8.60658 -0.66896 6.0762066992 6.0762066992 0.306326417
+C      2.50934752     -0.48093938     -1.59650048
+C      2.46404402      0.12665830     -0.19345674
+C      3.41174529      1.32139598     -0.01769833
+O      3.45799604      1.70605057      1.37837234
+C      3.18376185      3.11107096      1.51263579
+C      2.86825932      3.58615229      0.12658372
+C      3.00734893      2.57852895     -0.73973788
+H      1.87180325     -1.37380381     -1.65762917
+H      3.53213196     -0.78586926     -1.86746442
+H      2.15739289      0.22582325     -2.36274103
+H      2.75302532     -0.62888282      0.55366558
+H      1.44191754      0.45141678      0.05867378
+H      4.43114983      1.00359418     -0.32908107
+H      4.06654385      3.62786855      1.93984456
+H      2.34359698      3.25653267      2.21806061
+H      2.58150344      4.61098266     -0.10826487
+H      2.86243196      2.63149014     -1.81800237 
+
+17
+-1692.1925963809233 10.434151 11.82138 -9.6953 -7.4708 -11.416 0.9955 0.0903 3.098 10.85764 -2.79686 9.171616378 11.282540021 0.128123726
+C      2.10676354     -0.31212629     -1.48459132
+C      2.45054412      0.12118785     -0.05906441
+C      3.19737741      1.43839885     -0.00873006
+O      2.37323237      2.51155073     -0.44796971
+C      3.00653100      3.66929669      0.10345129
+C      3.48839022      3.18380362      1.48127619
+O      3.57858161      1.75478950      1.33890561
+H      1.58446779     -1.27845291     -1.48245771
+H      3.01342691     -0.42504735     -2.09834628
+H      1.45707620      0.42508095     -1.97575976
+H      3.08648852     -0.63078080      0.43248453
+H      1.54234510      0.23143146      0.55324082
+H      4.11534656      1.40551805     -0.64070786
+H      3.85706410      3.98377123     -0.53045915
+H      2.26718704      4.47875764      0.14901982
+H      4.47117608      3.60234988      1.75219888
+H      2.76475143      3.41174091      2.28004912 
+
+15
+-1543.911082699018 10.138281 10.94603 -9.7804 -7.6053 -9.849 1.497 -0.169 1.22 9.31652 -0.67011 6.8255036916 6.8255036916 0.433755575
+C      1.08108131      0.50833854      0.74535445
+C      2.35629814      0.29089003      0.41313438
+C      3.27697589      1.31994413     -0.19883562
+O      2.63997888      2.59406035     -0.34322584
+C      3.30027134      3.51642365      0.54393944
+C      4.09115007      2.60838781      1.47969880
+O      4.44228658      1.51822071      0.61426340
+H      0.46993108     -0.27696927      1.19175558
+H      0.61774189      1.47997690      0.56646770
+H      2.82257159     -0.68671806      0.57025112
+H      3.64249212      0.97978157     -1.18522788
+H      3.96492323      4.17801196     -0.03785088
+H      2.53845968      4.11965679      1.05911888
+H      5.02151663      3.05141316      1.85583849
+H      3.47191157      2.25934173      2.32553798 
+
+13
+-1401.162578967205 9.995864 10.54376 -8.008 -5.8734 -9.06 1.4384 -0.2939 1.026 9.34332 -0.65037 5.687733764 6.8489370456 0.469680802
+C      1.67105486     -0.38457735     -1.24177438
+C      2.11755592      0.22849932     -0.14369880
+C      3.21481792      1.25339940     -0.13192866
+O      3.67430950      1.59235509     -1.45652648
+C      3.53733182      2.97460274     -1.55586138
+C      3.00104887      3.48266626     -0.44459750
+O      2.73577459      2.48732738      0.48580150
+H      0.87453997     -1.12679713     -1.18792191
+H      2.09387174     -0.15696488     -2.22125289
+H      1.70494710      0.00354386      0.84380630
+H      4.08540477      0.90189894      0.45958023
+H      3.85218508      3.43142142     -2.48598253
+H      2.73098787      4.49535496     -0.17030350 
+
+13
+-1383.5383432511737 9.679169 10.65505 -10.0133 -7.7611 -10.309 1.0959 -0.0029 2.099 9.90298 -1.69845 4.4535399242 11.5526311234 0.356074818
+C      1.30952340      0.18698567      0.50087633
+C      2.45289707      0.05459093      0.11636172
+C      3.83606458     -0.11002115     -0.37356866
+O      4.68118854      0.95055761      0.05617015
+C      5.09567631      0.57891540      1.38496653
+C      4.93285340     -0.96207786      1.42445116
+O      4.43214757     -1.30553524      0.11719598
+H      0.30125156      0.30635727      0.84220914
+H      3.85887042     -0.14160041     -1.47346777
+H      6.13475290      0.91275182      1.50456471
+H      4.46109450      1.07136278      2.13997507
+H      5.88105005     -1.49897887      1.55888037
+H      4.21901969     -1.27255794      2.20459526 
+
+11
+-1239.7999102544406 9.482919 10.21694 -8.3865 -6.2457 -9.231 1.6609 -0.159 0.899 8.88185 -0.40256 4.4725593766 11.0000503186 0.82985619
+C      1.03463195     -0.00013429     -0.10596324
+C      2.24509330     -0.00010782     -0.03827148
+C      3.70782069      0.00002485      0.11788516
+O      4.29790602     -1.16035676     -0.51152625
+C      4.79859084     -0.66922100     -1.71902321
+C      4.79859595      0.66560636     -1.72035584
+O      4.29791295      1.15916612     -0.51384970
+H     -0.03358214     -0.00018886     -0.18732739
+H      3.98721089      0.00109152      1.18246983
+H      5.13794488     -1.39921387     -2.44345570
+H      5.13797467      1.39413375     -2.44625218 
+
+15
+-1549.9281621100695 10.197025 11.22052 -8.0458 -5.8944 -9.074 1.0416 0.1481 1.025 8.74743 -0.54979 5.6831090862 11.810162444 0.221544158
+C      3.09703464     -1.09086755     -0.72633949
+C      2.47363954      0.04945241      0.08031380
+C      3.24868223      1.34191446     -0.04635175
+O      3.22527980      1.84932466     -1.40243701
+C      3.13884334      3.22940572     -1.24143730
+C      2.82343010      3.53616095      0.02115797
+O      2.67865030      2.37992549      0.78302215
+H      2.52642880     -2.01898447     -0.58869013
+H      4.13278035     -1.28526669     -0.40934117
+H      3.11013229     -0.85507991     -1.79911858
+H      2.44255261     -0.20542887      1.15108149
+H      1.43866765      0.24312202     -0.24052881
+H      4.31650854      1.21929220      0.24705628
+H      3.27386488      3.84327081     -2.12413855
+H      2.61868494      4.48237875      0.50752110 
+
+17
+-1676.8627100556917 10.378615 11.57523 -9.7208 -7.4919 -11.574 0.8841 -0.1504 2.548 11.2417 -2.2472 8.9688000792 13.5376345848 0.08536569
+C      2.07068924     -0.59585511     -1.35969748
+C      2.43516559     -0.00136837      0.00168856
+C      3.24333215      1.28986199     -0.08417794
+O      4.45319784      0.99440386     -0.76888608
+C      2.43311306      2.53242627     -0.54427605
+O      2.33673504      3.01254366      0.82618130
+C      3.34626304      2.05750314      1.25941269
+H      1.48614710     -1.51784702     -1.23611682
+H      2.97249102     -0.83567976     -1.93768924
+H      1.46300992      0.10221318     -1.95522786
+H      3.02521687     -0.72738520      0.58530688
+H      1.52458926      0.21213852      0.58363664
+H      4.96959330      1.81664215     -0.83856056
+H      1.44259205      2.36898199     -0.99670958
+H      3.02022185      3.22232849     -1.17986619
+H      4.33059302      2.54063039      1.40747420
+H      3.05155967      1.52789183      2.17941752 
+
+19
+-1870.3420085186774 11.81115 13.562 -9.2267 -7.0144 -10.922 0.9782 0.0414 2.941 10.58843 -2.6304 8.676106329 11.0818934772 0.235630912
+C      1.03816277     -0.22644291     -0.23407716
+C      2.54627587     -0.13701342     -0.47386804
+C      3.24500598      0.85960375      0.45918399
+C      4.73855274      0.95534964      0.22900698
+C      5.67639970      1.47819225      1.31477602
+C      5.69991876      0.02494352      0.91821717
+O      6.80406443     -0.56787616      0.26627909
+H      0.56351077     -0.94274185     -0.91983900
+H      0.55194973      0.75020457     -0.38282405
+H      0.81680555     -0.55256217      0.79393920
+H      2.73732417      0.15513532     -1.52084851
+H      3.00584484     -1.13151371     -0.34754560
+H      3.05934906      0.57055864      1.50934996
+H      2.78931418      1.85934122      0.33759310
+H      5.02559573      1.23466412     -0.79163173
+H      5.25388449      1.75027024      2.28445459
+H      6.51505344      2.10194766      0.99870619
+H      5.27846745     -0.69432160      1.62405709
+H      7.17347036      0.08159089     -0.35745929 
+
+17
+-1730.6293290572678 11.949259 13.33925 -8.9395 -6.7723 -8.949 0.9712 0.046 1.341 8.45761 -0.70405 6.1464943626 6.1464943626 0.394698863
+C      0.96185668      0.25546004     -1.07099641
+C      2.44462019      0.20988940     -0.86048722
+C      3.15061043      1.11512089     -0.16715573
+C      4.62025231      1.10923247      0.03980738
+C      5.58079586      0.31635699     -0.82915559
+C      5.54016465      1.82323917     -0.91916741
+O      6.57176143      2.59283273     -0.34045339
+H      0.71040167      0.29289706     -2.14378867
+H      0.51036548      1.13117340     -0.58406354
+H      0.47577582     -0.64852389     -0.66936817
+H      2.97323202     -0.64018078     -1.30815054
+H      2.61666530      1.95478733      0.29638780
+H      4.94519357      1.22515628      1.07859686
+H      5.18784531     -0.25749631     -1.66931031
+H      6.44167346     -0.12416024     -0.32526002
+H      5.07300610      2.26049630     -1.80907515
+H      7.34235971      2.54922917     -0.93440990 
+
+17
+-1728.2962707393117 11.691441 12.85142 -9.1982 -7.0444 -9.201 0.9745 -0.2098 1.288 8.57817 -0.63885 6.3035970232 6.3035970232 0.398180922
+C      2.52357581     -0.84367784     -1.41676480
+C      2.38127217      0.13302010     -0.27783705
+C      1.39571563      0.03936062      0.62848069
+C      3.41599717      1.21228099     -0.24323912
+C      3.25006839      2.49029477     -1.08159548
+C      3.22885207      2.54323292      0.42434209
+O      4.24691220      3.16445130      1.17874027
+H      3.49341647     -1.36513073     -1.36462422
+H      2.50099080     -0.32071011     -2.38620218
+H      1.72695652     -1.59882370     -1.40735882
+H      0.64405856     -0.74943168      0.56324128
+H      1.31210979      0.73818935      1.46196359
+H      4.44718160      0.83594036     -0.23897697
+H      2.30629143      2.63498124     -1.61073169
+H      4.13270262      2.87150195     -1.59835138
+H      2.26517843      2.74457825      0.89388670
+H      5.10793033      2.87055221      0.83315710 
+
+19
+-1871.063988093085 11.729489 13.27868 -9.2085 -7.0262 -10.893 0.922 0.0001 2.836 10.55315 -2.499 8.6493625488 10.5218363166 0.201519029
+C      1.15555501      0.15433810      0.18736549
+C      2.64627704     -0.04164348     -0.11918269
+C      2.85508951     -0.78455885     -1.44542202
+C      3.38441394      1.28740549     -0.11761990
+C      3.81503435      1.95369119      1.18715310
+C      4.84043769      1.38121495      0.24158761
+O      5.76063077      2.18883779     -0.46362506
+H      1.01053592      0.67634693      1.14440103
+H      0.62960792     -0.81048715      0.24071468
+H      0.67189638      0.75511355     -0.59958293
+H      3.08046525     -0.65826745      0.69031493
+H      2.42821602     -0.21189615     -2.28439690
+H      2.36467279     -1.76921694     -1.43091585
+H      3.92388863     -0.93656919     -1.65359727
+H      3.05592401      1.98380252     -0.89963391
+H      3.62488692      1.43250691      2.12828897
+H      3.73726296      3.04093128      1.25118226
+H      5.34135852      0.45910627      0.54518878
+H      5.29693639      2.99264420     -0.75719031 
+
+15
+-1578.203652525271 11.873345 13.72497 -8.942 -6.7538 -8.969 0.9056 -0.0346 2.344 8.57854 -1.86464 4.0999938452 9.0547719716 0.230594784
+C      0.93645487      0.02831524     -0.05898257
+C      2.38932243     -0.01206062      0.01317134
+C      3.60467314     -0.04337747      0.07890828
+C      5.03717449     -0.08515546      0.14607306
+C      5.85523296     -0.79099563     -0.94368174
+C      5.88273116      0.70689837     -0.82663138
+O      7.00965709      1.34359117     -0.26948409
+H      0.55853820      1.06034602      0.00638696
+H      0.48290900     -0.54631455      0.76324304
+H      0.57262145     -0.40229632     -1.00462903
+H      5.47246562     -0.14791016      1.14694925
+H      5.30746106     -1.23825649     -1.77303476
+H      6.73588091     -1.33420857     -0.59997156
+H      5.33712836      1.28770023     -1.57790460
+H      7.71755926      1.32799423     -0.93843221 
+
+19
+-1869.780734466089 11.651349 13.31592 -9.2985 -7.1235 -11.307 0.9294 0.0365 2.935 10.68535 -2.66439 9.2233929316 10.2577089408 0.118195981
+C      1.08546398     -0.18868899     -0.07503387
+C      2.61128258     -0.10234084     -0.14996726
+C      3.14703571      1.29344068      0.18583016
+C      4.65900155      1.37794051      0.11383092
+C      5.34912501      1.40451943     -1.26870004
+C      6.02286076      2.68784558     -0.75464580
+O      5.16898807      2.71684099      0.42572562
+H      0.72710475     -1.19599445     -0.33115702
+H      0.61263434      0.52162304     -0.77027728
+H      0.72360058      0.04857290      0.93692904
+H      2.94534227     -0.39013455     -1.16180827
+H      3.05639256     -0.83978559      0.53999911
+H      2.83325431      1.58171185      1.20393855
+H      2.71801783      2.04332396     -0.50102967
+H      5.11408419      0.63509413      0.79878635
+H      4.64652947      1.57485706     -2.09615712
+H      6.00734258      0.56154710     -1.51199219
+H      7.08526142      2.56574091     -0.47928166
+H      5.90736805      3.59782629     -1.36394955 
+
+17
+-1724.873865732128 11.576631 12.70126 -9.3148 -7.1465 -9.647 1.5773 -0.0325 1.226 9.11316 -0.66935 6.6706203804 6.6706203804 0.448829854
+C      2.31384254      3.42496531     -0.45573805
+C      2.77113089      2.18794483     -0.68322764
+C      3.25034585      1.23942544      0.37589605
+C      4.71945175      0.86872871      0.20126180
+C      5.79984725      1.89209046      0.61079037
+C      6.33732798      0.76140535      1.50493970
+O      5.17643983     -0.07525966      1.22215707
+H      1.98270755      4.07016492     -1.27071439
+H      2.24525161      3.82902175      0.55770083
+H      2.81889320      1.82315448     -1.71636418
+H      2.66927597      0.30097675      0.33391532
+H      3.10424521      1.67028011      1.37918909
+H      4.88623827      0.44600501     -0.80860061
+H      5.39424139      2.74970522      1.16384598
+H      6.46285486      2.25171239     -0.18496166
+H      7.26747687      0.29147509      1.14107997
+H      6.43315900      0.97300382      2.58138035 
+
+15
+-1568.962993861994 11.062422 12.38087 -9.5505 -7.3497 -9.964 0.9566 0.0424 2.178 9.5818 -1.83234 4.3725894648 10.7525122696 0.366755503
+C      3.04659040     -1.03779277     -2.33879903
+C      3.30002344     -0.56237920     -1.25084705
+C      3.62809161      0.05229342      0.02768911
+C      4.43639872      1.34212550     -0.14354265
+C      3.70743283      2.60591457     -0.64295415
+C      4.21060321      3.24552543      0.66384889
+O      4.72449282      1.96546260      1.14393995
+H      2.81423375     -1.47213532     -3.28963027
+H      4.21504434     -0.64785931      0.64533785
+H      2.70758238      0.27926283      0.59100900
+H      5.37047791      1.12222773     -0.69123656
+H      2.61762526      2.48826443     -0.70035581
+H      4.07722904      3.04162447     -1.57804318
+H      5.02429724      3.97911377      0.53581356
+H      3.45073706      3.65808184      1.34544033 
+
+17
+-1727.2726724029662 11.783548 13.02295 -9.0936 -6.9 -8.965 1.0413 0.0651 1.459 8.4438 -0.82609 6.2646034262 6.2646034262 0.411106881
+C      0.93359383      1.68569390      1.39823634
+C      2.38048894      1.32178809      1.27443408
+C      3.17300871      1.65318057      0.24660638
+C      4.61170524      1.27587364      0.12962643
+C      5.69635485      2.35190373      0.42026042
+C      6.27865576      1.29779514      1.37476457
+O      5.10992220      0.44004328      1.21896345
+H      0.74643144      2.25428017      2.32328640
+H      0.30237787      0.78433051      1.45670030
+H      0.58823819      2.29037983      0.54807654
+H      2.82153462      0.73063004      2.08387472
+H      2.77348909      2.23178840     -0.59622149
+H      4.78771411      0.77227737     -0.84246402
+H      5.29027858      3.23454866      0.92953345
+H      6.32289311      2.65960115     -0.42562532
+H      7.19085317      0.79848122      1.00415317
+H      6.42611029      1.59715428      2.42368457 
+
+17
+-1727.0095402307509 11.628981 12.57277 -9.2919 -7.1431 -9.257 1.4147 -0.1206 1.334 8.63154 -0.69394 6.3904120204 6.3904120204 0.417978286
+C      1.12359855      0.36004121      0.96407780
+C      2.36643599      0.08718600      0.16267403
+C      2.59558270     -1.08206092     -0.45632052
+C      3.37938885      1.19444381      0.06153623
+C      2.95743966      2.55405075     -0.55770872
+C      3.49289592      3.16744619      0.74533315
+O      3.67088760      1.85049140      1.34459376
+H      1.39134486      0.62632825      1.99717787
+H      0.46156999     -0.51461959      0.98148362
+H      0.55576141      1.21129789      0.55593622
+H      1.86375806     -1.89201037     -0.43944830
+H      3.52345329     -1.26080547     -1.00406403
+H      4.31142142      0.80165221     -0.38414198
+H      1.87425249      2.66244521     -0.69262855
+H      3.47031625      2.83035083     -1.48651938
+H      4.45675533      3.69602234      0.64494639
+H      2.79649763      3.78924026      1.32975240 
+
+19
+-1870.8377688376509 11.585236 13.04915 -9.283 -7.1306 -11.288 0.9281 0.0484 2.879 10.67369 -2.57243 9.1835686284 10.2607465978 0.161146885
+C      1.07549913      0.10640933      0.14820782
+C      2.59466547      0.06156048     -0.05552652
+C      2.98330357     -0.78011668     -1.27578723
+C      3.14810423      1.47444018     -0.18118803
+C      3.16721279      2.38808301      1.06388021
+C      4.66340771      2.55361331      0.75145989
+O      4.61247837      1.51521011     -0.26895897
+H      0.79781546      0.68743747      1.04037472
+H      0.66930922     -0.90788881      0.27000713
+H      0.57538003      0.56242883     -0.72128318
+H      3.06193456     -0.38571018      0.84106437
+H      2.51451498     -0.38269684     -2.19038758
+H      2.65269011     -1.82191153     -1.15514943
+H      4.07172955     -0.77833044     -1.42242368
+H      2.70623483      1.96878637     -1.07069129
+H      2.96819130      1.84448116      1.99769140
+H      2.54920013      3.29318215      1.02559751
+H      4.93253007      3.53148312      0.31497222
+H      5.37690849      2.30377896      1.55220065 
+
+19
+-1871.2838671735256 11.48421 12.93023 -9.7074 -7.6474 -11.738 0.8733 -0.0237 2.568 10.84819 -2.22811 9.1273905718 10.9299982286 0.18635659
+C      0.68981147     -0.10053791     -0.11159104
+C      2.18859954     -0.31688594     -0.36346914
+C      2.46093333     -0.78691131     -1.79874996
+C      3.00938558      0.92316003     -0.00581897
+C      2.78520302      2.18738375     -0.80778192
+C      3.55498748      1.03060627      1.36142121
+O      4.40993173      0.63695876      0.26896724
+H      0.49686304      0.23951070      0.91674855
+H      0.13527805     -1.03748502     -0.26645160
+H      0.26864042      0.64710369     -0.80099779
+H      2.54143213     -1.10937793      0.31895345
+H      2.07246961     -0.07239378     -2.54045180
+H      1.97013236     -1.75302783     -1.98596838
+H      3.53878189     -0.91357312     -1.97251835
+H      3.45064386      2.98362243     -0.45085278
+H      1.74637014      2.53696886     -0.71739689
+H      2.99741899      2.02006278     -1.87336852
+H      3.34110379      0.24224476      2.09292148
+H      3.76527356      2.01967080      1.78483521 
+
+15
+-1572.113342016143 11.640521 13.38356 -9.3542 -7.1536 -9.231 0.8456 -0.0227 2.334 8.8002 -1.88396 4.1493402732 10.147944135 0.433046421
+C      0.96581573     -0.02059872      0.01639087
+C      2.41839773      0.02324096     -0.02142206
+C      3.63459638      0.04969212     -0.04864753
+C      5.08209720      0.09470234     -0.08821741
+C      5.82083318      1.12160252      0.81213111
+C      6.61862435     -0.09137504      1.31533362
+O      5.73953782     -1.02191055      0.61476563
+H      0.54204730      0.99291951      0.07810134
+H      0.61286857     -0.58357704      0.89322290
+H      0.55596493     -0.50335558     -0.88311739
+H      5.42818888      0.12646338     -1.13865770
+H      5.16412141      1.56674011      1.56822850
+H      6.37602545      1.90699073      0.28590381
+H      7.65269786     -0.15291633      0.93424168
+H      6.61692320     -0.27313842      2.40081261 
+
+19
+-1871.155537907665 11.615819 13.25237 -9.7294 -7.657 -11.811 0.8822 -0.023 2.642 10.87046 -2.32444 9.167090889 10.9929831166 0.204033126
+C      0.90638566     -0.17209619     -0.31234122
+C      2.42021905     -0.20273586     -0.09154496
+C      3.01488322      1.19756568      0.11171834
+C      4.52550881      1.21957155      0.26570904
+C      5.10324106      0.56393170      1.50004393
+C      5.36596709      1.36562170     -0.93960965
+O      5.14004228      2.49471498     -0.07314111
+H      0.50097737     -1.18465523     -0.45015914
+H      0.64591408      0.41723850     -1.20485297
+H      0.38790462      0.28144708      0.54627080
+H      2.91081004     -0.68312584     -0.95542825
+H      2.64740530     -0.83573054      0.78204719
+H      2.56297166      1.66475957      1.00507355
+H      2.75219400      1.84167456     -0.74300554
+H      6.19201993      0.69771574      1.53182657
+H      4.88426039     -0.51377381      1.51909648
+H      4.67354684      1.01290601      2.40842498
+H      4.89044157      1.43231468     -1.92554082
+H      6.38938702      0.97248571     -0.93700724 
+
+19
+-1866.7889478777122 11.582854 13.20158 -9.4462 -7.1733 -11.437 0.9051 -0.0091 2.807 10.81582 -2.5307 9.2835385402 10.4782676362 0.14758956
+C      1.04433515      0.23365230     -0.64814178
+C      2.53596156      0.21373326     -0.98717353
+C      3.43368378      0.25468452      0.25403872
+C      4.92144328      0.24549647     -0.06812090
+C      5.55549120      1.52505853     -0.66012904
+O      6.57869643      1.55630584      0.37719150
+C      5.91887323      0.46876013      1.08886379
+H      0.42396642      0.20495196     -1.55520351
+H      0.77617764      1.14287479     -0.08849986
+H      0.76711550     -0.63127313     -0.02602686
+H      2.77646439      1.07085826     -1.63984016
+H      2.77109480     -0.69109470     -1.57389681
+H      3.19852522     -0.60910753      0.90165613
+H      3.19980220      1.15695696      0.84816010
+H      5.17810473     -0.64569352     -0.66181235
+H      4.90312871      2.41713480     -0.61151574
+H      5.99899070      1.45199706     -1.66600102
+H      6.61714541     -0.35187639      1.31882445
+H      5.44957963      0.82422040      2.02483688 
+
+17
+-1721.7434107252245 11.519166 12.61316 -9.4862 -7.223 -9.689 1.3908 -0.0942 1.185 9.14467 -0.62402 6.672678548 6.672678548 0.45459254
+C      2.22194477      2.68508193     -0.63318548
+C      2.70351519      1.44543742     -0.48573690
+C      3.46239918      0.95136731      0.71212302
+C      4.87801538      0.48708656      0.36273905
+C      5.92872367      1.56653234      0.02172568
+O      6.83340827      1.07938393      1.05727523
+C      5.82748422      0.13868723      1.53000747
+H      1.68508182      2.98725734     -1.53345501
+H      2.34420327      3.43864069      0.14931851
+H      2.55947609      0.71966039     -1.29561741
+H      2.91994187      0.10171528      1.16596567
+H      3.51161126      1.74433975      1.47759768
+H      4.83990131     -0.30948320     -0.39562559
+H      5.59869908      2.60183057      0.22089462
+H      6.39022548      1.51757466     -0.97710834
+H      6.21674906     -0.89156312      1.56747848
+H      5.44430010      0.42061092      2.52809333 
+
+15
+-1565.6788589061675 11.015198 12.27932 -9.6203 -7.364 -9.968 0.8981 -0.032 2.157 9.55497 -1.80542 4.3699113672 10.5279488264 0.453123162
+C      3.37433503     -0.96115295     -2.43760738
+C      3.48732438     -0.52636180     -1.30978472
+C      3.64064606      0.02973261      0.02931075
+C      4.41256773      1.35671897      0.03847548
+C      3.64509274      2.57568322     -0.51445094
+O      3.51345985      3.15472701      0.81853969
+C      4.37388223      2.12261752      1.37773527
+H      3.26872017     -1.35474435     -3.42799074
+H      4.16004393     -0.70162857      0.67210727
+H      2.64384464      0.18656330      0.47737338
+H      5.41421031      1.21140854     -0.38755269
+H      2.66493060      2.36434903     -0.97184836
+H      4.22887173      3.22999998     -1.18309458
+H      5.34323150      2.53496758      1.70631772
+H      3.89382911      1.60114992      2.22338986 
+
+17
+-1722.949356693189 11.60597 12.80359 -9.289 -7.1008 -9.09 1.3469 -0.1414 1.202 8.58107 -0.56584 6.1264210292 6.1264210292 0.371570317
+C      0.94526867      1.74235428      1.38889742
+C      2.43094616      1.58132771      1.29566063
+C      3.10932770      1.33506626      0.16403143
+C      4.59934131      1.17100211      0.06264643
+C      5.53753852      2.23030545      0.70239017
+O      6.30487211      1.21043430      1.40164321
+C      5.33439193      0.19487599      1.02122773
+H      0.67759826      2.73041611      1.79678690
+H      0.50696016      0.99603746      2.07094338
+H      0.46367440      1.63452070      0.40703778
+H      2.98260879      1.67627616      2.23969712
+H      2.54099667      1.24354705     -0.76855195
+H      4.88381284      0.97923628     -0.98061935
+H      5.02341061      2.90833448      1.40554982
+H      6.16594120      2.81595935      0.01295711
+H      5.81688300     -0.68174031      0.56085718
+H      4.72046767     -0.12567337      1.88076497 
+
+17
+-1724.1497050083262 11.541822 12.45826 -9.4061 -7.2332 -9.258 1.472 -0.0261 1.219 8.63068 -0.58 6.3166899448 6.3166899448 0.443746776
+C      0.96212940      0.30962794      0.83937335
+C      2.31667966      0.00725183      0.25146893
+C      2.63979359     -1.22837442     -0.16679775
+C      3.31533903      1.12940951      0.14435730
+C      2.88255090      2.48552030     -0.47565237
+O      3.31336435      3.22730911      0.69973272
+C      3.62682217      1.99023771      1.39874755
+H      1.04294479      0.71162458      1.86144813
+H      0.33980460     -0.59316886      0.87793901
+H      0.42471769      1.06768349      0.24827291
+H      1.93453071     -2.05862908     -0.09411279
+H      3.62078065     -1.44578318     -0.59422899
+H      4.23586900      0.75109574     -0.32088998
+H      1.79976157      2.59925214     -0.65323352
+H      3.43300240      2.79289738     -1.37911372
+H      4.67280918      1.96708356      1.74383159
+H      2.95623030      1.82809225      2.25964762 
+
+19
+-1867.5258768062426 11.493582 12.88845 -9.4375 -7.1825 -11.42 0.8844 -0.0319 2.734 10.80198 -2.42741 9.2608119064 10.4222259642 0.16938516
+C      1.06915968      0.01710087      0.17692640
+C      2.58331667     -0.01898268     -0.06354475
+C      2.92287401     -0.77244115     -1.35544071
+C      3.16727651      1.39259925     -0.08507992
+C      3.18376386      2.20429717      1.22917947
+O      4.61264324      2.46157011      1.10931900
+C      4.70227497      1.55613358     -0.02843957
+H      0.81789963      0.54290997      1.11012765
+H      0.65365626     -0.99899012      0.24422203
+H      0.55507857      0.53441510     -0.64913849
+H      3.05412282     -0.55575924      0.78254307
+H      2.46375129     -0.27885447     -2.22713574
+H      2.54893737     -1.80619865     -1.32207064
+H      4.00865514     -0.81564941     -1.52772202
+H      2.72422484      1.96625243     -0.91570925
+H      2.95532190      1.60716998      2.13193663
+H      2.60233194      3.13970794      1.25457878
+H      5.19339754      2.03379564     -0.89119109
+H      5.24598375      0.62945370      0.23492914 
+
+15
+-1572.1838884091617 11.509746 13.26174 -9.5304 -7.2676 -9.294 0.7956 -0.0771 2.249 8.87119 -1.79241 4.1307671704 10.0520161668 0.599034832
+C      0.95317650     -0.00770277     -0.01117043
+C      2.40830838     -0.01597406     -0.00440832
+C      3.62528079     -0.02050899     -0.00186355
+C      5.07277586     -0.02868267      0.01908943
+C      5.82704971      1.04331552      0.85437734
+O      6.67957726      0.02928925      1.45517832
+C      5.81450362     -1.02611891      0.95248954
+H      0.55873116      0.89016396      0.48736928
+H      0.54875723     -0.88534768      0.51428252
+H      0.55958790     -0.02052502     -1.03827521
+H      5.47590636     -0.07972050     -1.00392335
+H      5.18572761      1.53720832      1.60439817
+H      6.40703861      1.79333022      0.29608248
+H      6.38505336     -1.83228339      0.46780684
+H      5.16780565     -1.43908329      1.74513694 
+
+19
+-1872.2794957105086 11.767923 13.68444 -9.7051 -7.6492 -11.762 0.9277 0.0368 2.771 11.47449 -2.50797 9.1990544798 10.8578383766 0.370498859
+C      0.95463643     -0.13406868     -0.20794878
+C      2.47693789     -0.10343930     -0.35477619
+C      3.12072595      1.09143344      0.36062434
+C      4.61608324      1.14689570      0.16669258
+O      5.36693475      2.01438727      1.04870277
+C      5.57433087      0.58383108      1.13588063
+C      6.93365711      0.07249141      0.74030266
+H      0.51820973     -0.99763813     -0.72959572
+H      0.49724629      0.77568827     -0.62594756
+H      0.65792250     -0.19726045      0.85010922
+H      2.74243411     -0.07326984     -1.42555155
+H      2.90771331     -1.03908077      0.04021736
+H      2.90117948      1.05663485      1.44051862
+H      2.67940288      2.02974940     -0.01899284
+H      4.95025142      1.19901322     -0.88033716
+H      5.14844515      0.14171755      2.04803034
+H      7.26885218      0.53976188     -0.19533449
+H      6.90935241     -1.01886771      0.59974509
+H      7.67470431      0.29526081      1.52175068 
+
+17
+-1730.4701550292577 11.989155 13.49041 -9.0753 -6.8983 -9.044 1.3169 0.0643 1.26 8.55224 -0.63217 6.1675099896 6.1675099896 0.420695779
+C      1.01298448      0.23218583     -0.90086787
+C      2.49589658      0.37334584     -0.75652942
+C      3.11109321      1.28316432      0.01250622
+C      4.58238197      1.41657988      0.14067144
+O      5.41092152      0.50663299     -0.61439964
+C      5.44920089      1.90871170     -0.96084716
+C      6.74536338      2.63276783     -0.71999450
+H      0.70472777      0.35292227     -1.95213150
+H      0.46997291      0.97317050     -0.29757994
+H      0.67882082     -0.77225647     -0.59471858
+H      3.12462704     -0.32630187     -1.31826634
+H      2.52124288      1.98580936      0.61302638
+H      4.94965894      1.60513096      1.15992823
+H      4.93617723      2.13315095     -1.90592747
+H      7.16411861      2.37103414      0.26097507
+H      6.59115394      3.72143159     -0.76067906
+H      7.48342784      2.36817018     -1.49157587 
+
+19
+-1873.200140041389 11.719586 13.47565 -9.6877 -7.6419 -11.684 0.9021 0.0252 2.702 10.85026 -2.40619 9.1796630694 10.8595493834 0.207424105
+C      1.14421941      0.15381009      0.20785395
+C      2.63192142     -0.05853681     -0.10004828
+C      2.84366494     -0.68295090     -1.48594383
+C      3.38643702      1.25095473      0.00369902
+O      3.60649042      1.78175462      1.33223219
+C      4.75056383      1.35501232      0.55180751
+C      5.72421874      2.42456354      0.13553441
+H      1.01021576      0.60111829      1.20247336
+H      0.59713817     -0.79994158      0.18206986
+H      0.68169632      0.82509585     -0.53354302
+H      3.05238814     -0.73513924      0.66447535
+H      2.45881736     -0.02236021     -2.27925977
+H      2.31092170     -1.64138592     -1.56693626
+H      3.90877437     -0.86823692     -1.68820097
+H      3.08308174      2.01784814     -0.72669856
+H      5.20165251      0.42444109      0.92500450
+H      5.19500062      3.30952361     -0.24264867
+H      6.39306226      2.04924736     -0.65379241
+H      6.34832526      2.73351194      0.98694164 
+
+15
+-1575.4240450621273 11.874115 13.90139 -9.3761 -7.1596 -9.314 0.8297 -0.0089 2.086 8.91023 -1.61556 4.1376483934 10.1032223848 0.553381421
+C      0.95089046     -0.00585435      0.03272930
+C      2.40374508      0.02835157      0.00846519
+C      3.61991149      0.05172381     -0.02429668
+C      5.05664218      0.07433659     -0.02509046
+O      5.74737750     -0.54030708     -1.15355160
+C      5.83985656      0.88704723     -0.98989339
+C      7.19077953      1.45398297     -0.64727072
+H      0.52591023      1.00768447     -0.02092206
+H      0.57950390     -0.48059845      0.95296687
+H      0.56024006     -0.57877079     -0.82154539
+H      5.53112550     -0.13938344      0.94108707
+H      5.25455970      1.44817386     -1.73009431
+H      7.68867528      0.84677155      0.12050577
+H      7.09090776      2.48470512     -0.27597454
+H      7.83315477      1.47661694     -1.53963507 
+
+19
+-1874.3709060842236 11.604518 13.02843 -9.5514 -7.4373 -10.969 0.8782 -0.093 2.762 10.61921 -2.38437 8.6067113648 10.9573991346 0.204914335
+C      1.06162148      0.16422438      0.16402406
+C      2.55356260     -0.04484614     -0.12433114
+C      2.77341574     -0.73820328     -1.47640027
+C      3.32273794      1.27217860     -0.04224331
+O      2.90582532      2.27408230     -0.96073782
+C      3.72851172      1.81385863      1.29491051
+C      4.78338202      1.26170625      0.34572315
+H      0.90790678      0.61107013      1.15694799
+H      0.51697932     -0.79063040      0.12959890
+H      0.61677381      0.84132966     -0.57975328
+H      2.97270460     -0.69804612      0.66217504
+H      2.34629054     -0.14470433     -2.30111203
+H      2.27758358     -1.71938865     -1.49897624
+H      3.84348331     -0.89439414     -1.68033816
+H      3.20933451      2.00132872     -1.84531423
+H      3.47534187      1.23573400      2.18488268
+H      3.68872225      2.89639898      1.41492498
+H      5.43250440      1.98925103     -0.14263619
+H      5.25255822      0.30604037      0.58715536 
+
+19
+-1873.8809326965393 11.747565 13.38129 -9.5386 -7.3861 -10.955 0.8915 -0.0619 2.853 10.62305 -2.50245 8.6476391434 11.5347151464 0.143440903
+C      1.07505297      0.08522512     -0.37423998
+C      2.56408075      0.20738330     -0.70116824
+C      3.44409880      0.28461346      0.55172437
+C      4.91919884      0.47749170      0.25351895
+O      5.23162281      1.67461839     -0.44907640
+C      5.96314538     -0.04294727      1.21480007
+C      5.76825924     -0.69231352     -0.14812298
+H      0.46659826      0.03112679     -1.28840312
+H      0.72242234      0.95048498      0.20867462
+H      0.86592036     -0.81882272      0.21887682
+H      2.74381824      1.10248585     -1.31708387
+H      2.88515222     -0.65327297     -1.31165875
+H      3.31978804     -0.63174880      1.15389776
+H      3.09972923      1.11764758      1.19423343
+H      5.08978493      2.41555577      0.16832673
+H      5.63233952     -0.58387477      2.10300773
+H      6.85935373      0.56453176      1.34404119
+H      6.53322476     -0.50351989     -0.90102092
+H      5.30185959     -1.67733475     -0.19296742 
+
+19
+-1867.0111775612634 11.601963 13.22111 -9.9353 -7.7695 -11.915 0.909 0.0001 2.778 11.04727 -2.51036 9.2453508522 11.3003816064 0.205942579
+C      0.83554116      0.02874998      0.01899983
+C      2.36082452     -0.06921628     -0.04255925
+C      3.04558385      1.30239827     -0.03335850
+C      4.57633289      1.25447926     -0.15418717
+C      5.25523044      0.62637541      1.04026102
+C      5.73601581     -0.76640194      1.05009344
+O      6.66259695      0.32775086      0.90756526
+H      0.36672752     -0.96564559      0.01076421
+H      0.43812964      0.59246026     -0.83918645
+H      0.50638210      0.54485184      0.93410662
+H      2.65960369     -0.61433721     -0.95505488
+H      2.72481051     -0.67211373      0.80580222
+H      2.76796629      1.84196261      0.89024997
+H      2.64735236      1.90777872     -0.86499623
+H      4.96462068      2.28064359     -0.26453411
+H      4.87440295      0.70585072     -1.06297148
+H      4.99612405      1.07066053      2.01214956
+H      5.60116208     -1.38025781      0.15234326
+H      5.80406252     -1.31658949      1.99513267 
+
+17
+-1722.0501306066424 11.482842 12.5779 -9.763 -7.5 -9.75 1.3667 -0.0755 1.134 9.21919 -0.58381 6.671004737 6.671004737 0.439039418
+C      2.94818846      2.30356955      2.75192373
+C      3.55776711      1.50746195      1.86646214
+C      3.26010813      1.45352512      0.39492997
+C      4.49691366      1.66687922     -0.50069445
+C      5.07117236      3.05980345     -0.39700106
+C      6.22976586      3.38105607      0.45145793
+O      6.37616624      3.26890829     -0.97925406
+H      3.20337964      2.28143385      3.81230568
+H      2.16646473      3.00322659      2.44435569
+H      4.33678929      0.82059521      2.22034155
+H      2.48100877      2.19343576      0.14606806
+H      2.83710984      0.46309607      0.15263250
+H      4.21632309      1.48138048     -1.55024157
+H      5.28319615      0.93651181     -0.24944046
+H      4.36415470      3.87515215     -0.60536616
+H      6.70248039      2.58030425      1.03044177
+H      6.34654157      4.39154020      0.85690873 
+
+13
+-1422.235424709043 11.397316 12.15548 -9.3943 -7.2734 -9.001 0.3077 -1.3052 0.325 8.52238 0.24903 4.0499778928 11.4136056216 0.496493013
+C      0.96522398     -0.01148798      0.17391335
+C      2.30948606     -0.05587344      0.07062655
+C      3.02086230     -1.28251971     -0.07345601
+C      3.67825379     -2.29730988     -0.20772283
+C      3.15681292      1.18641751      0.05802514
+C      2.82402580      2.37784790      0.85402208
+O      3.88298024      1.49272442      1.26967863
+H      0.44138932      0.94055205      0.25731446
+H      0.36927240     -0.92382693      0.16783484
+H      4.24662036     -3.19748686     -0.32273606
+H      3.75651826      1.31846390     -0.85162181
+H      1.93693104      2.36768835      1.49507111
+H      3.14848354      3.36335065      0.50319054 
+
+15
+-1585.8362314367796 13.391763 13.30494 -8.6415 -6.6583 -8.517 0.3009 -1.2208 0.052 8.04446 0.48966 5.0151469098 5.0151469098 0.900291541
+C      2.14222521     -1.29397851     -0.50422554
+C      3.08685721     -0.52661011      0.07365824
+C      3.35291446      0.85034081     -0.28935147
+C      4.29291575      1.62464763      0.29633953
+C      4.53685499      3.02536448     -0.07287301
+C      5.06968010      4.00640980      0.90027578
+O      5.92957202      3.45897680     -0.10609662
+H      1.98180006     -2.32770912     -0.19871408
+H      1.50291302     -0.90402083     -1.29994611
+H      3.70850509     -0.95099899      0.86995753
+H      2.73987103      1.27610933     -1.09292400
+H      4.92626371      1.21567950      1.09077982
+H      3.93415619      3.41884837     -0.90059712
+H      5.27734039      3.68085852      1.92600819
+H      4.81122077      5.06458233      0.77898888 
+
+15
+-1583.2528347130465 11.974974 12.25949 -8.9021 -6.8678 -8.711 0.412 -1.1482 0.114 8.15451 0.42584 5.2282912424 5.2282912424 0.742122253
+C      2.45576759     -1.23537205      0.79614067
+C      2.11176777     -0.01600181      0.34162841
+C      3.02668602      1.09445049      0.07364333
+C      2.58991917      2.25098562     -0.46685098
+C      4.46901130      0.91735411      0.42999407
+C      5.50442325      0.66344009     -0.59557934
+O      5.38647405      1.95144212      0.03564265
+H      1.70145754     -2.00400742      0.96367245
+H      3.49078935     -1.50950488      1.00744992
+H      1.05657580      0.19321714      0.13748327
+H      1.53926944      2.38328401     -0.72895013
+H      3.27951559      3.07336001     -0.65599922
+H      4.65668825      0.52254467      1.43681154
+H      5.19845061      0.63203169     -1.64659248
+H      6.40178427      0.09318620     -0.33151413 
+
+13
+-1426.59694029379 12.528874 13.27521 -8.9248 -6.9007 -8.659 0.3582 -1.2586 0.377 8.24048 0.14762 3.8428468812 5.9886849818 0.499980562
+C      0.89950775      0.02628251     -0.19496199
+C      2.20660329      0.05752603      0.13286667
+C      3.03248541      1.20437781      0.05645083
+C      3.77332902      2.17366090      0.00129794
+C      4.65813853      3.30028069     -0.05832994
+C      4.64191221      4.24280824     -1.20494119
+O      4.07324904      4.62916502      0.05103988
+H      0.32735441     -0.89639467     -0.10363436
+H      0.38134017      0.91615761     -0.55393264
+H      2.69160737     -0.85630339      0.49337755
+H      5.60124578      3.19091094      0.48946376
+H      3.92404338      4.06879319     -2.01246807
+H      5.57354362      4.74919510     -1.48013843 
+
+15
+-1566.21498378124 10.9235 12.14132 -10.115 -7.7842 -10.068 0.8932 -0.0632 2.135 9.66189 -1.73415 4.3626581862 10.5738484436 0.560671821
+C      4.45131820     -0.92374512     -2.54570741
+C      4.12841463     -0.53204316     -1.44287439
+C      3.73464508     -0.04724856     -0.12424558
+C      4.26780508      1.36286428      0.21241724
+C      5.77188761      1.40843852      0.33446554
+C      6.63780277      1.83022966     -0.77755109
+O      6.37938365      2.71681033      0.33221669
+H      4.73738924     -1.27849015     -3.51464484
+H      4.07750152     -0.76487297      0.64108632
+H      2.63456388     -0.03865969     -0.06077518
+H      3.82260950      1.68112787      1.16867858
+H      3.94463422      2.08238554     -0.55435785
+H      6.20438280      0.72477482      1.07853247
+H      6.17513883      2.12193347     -1.72591876
+H      7.66258297      1.45029516     -0.84262174 
+
+13
+-1426.8008138503567 12.527269 12.8599 -9.0488 -6.9826 -8.747 0.2039 -1.3502 0.227 8.34962 0.32357 4.060231535 5.850775354 0.413489589
+C      0.85668318      0.04931518      0.06128269
+C      2.06832536      0.12803444      0.15551616
+C      3.47256143      0.19860681      0.30924441
+C      4.32143897      0.71709997     -0.60645250
+C      5.77733574      0.74814036     -0.41481871
+C      6.70897064      0.71050199     -1.56572105
+O      6.46532297      1.94421149     -0.87988004
+H     -0.20790524     -0.01681597     -0.03118193
+H      3.87959769     -0.20818702      1.24223886
+H      3.93545479      1.14224572     -1.53690119
+H      6.14760387      0.36902388      0.54570212
+H      6.30186163      0.64805878     -2.58097315
+H      7.70455897      0.27636437     -1.42128566 
+
+11
+-1270.8636821183468 12.528404 13.1286 -9.3923 -7.2952 -8.857 0.3659 -1.2947 0.682 8.4671 -0.26932 3.1926890944 7.8313773124 2.19391979
+C      0.94209765      0.03062870     -0.03039538
+C      2.16257324     -0.00062824     -0.02833197
+C      3.51913876     -0.03917854     -0.02540536
+C      4.74288519     -0.07213987     -0.02813741
+C      6.17377057     -0.11263380      0.01493300
+C      6.96247423     -0.80487484     -1.03512297
+O      6.90021849      0.62544446     -1.00639434
+H     -0.12783760      0.06068458     -0.03164891
+H      6.61692503     -0.03635927      1.01480458
+H      6.42688463     -1.28237031     -1.86117309
+H      7.92704982     -1.24310287     -0.75727817 
+
+17
+-1725.4308153792294 11.790358 13.21697 -9.3411 -7.1295 -9.27 0.9744 0.0636 1.203 8.74766 -0.58235 6.2994434922 6.2994434922 0.411907511
+C      1.11856506      0.97627187      1.45443855
+C      2.56708230      0.79617993      1.11798293
+C      3.18161018      1.31913128      0.04803426
+C      4.63459750      1.13428375     -0.28970684
+C      5.38612925      2.45117192     -0.33623960
+C      6.16056154      2.94838019      0.81085949
+O      6.82700563      2.37770191     -0.33675035
+H      0.59525429      0.00735800      1.49272066
+H      0.60828704      1.61110319      0.71668476
+H      0.99447415      1.43678429      2.44776593
+H      3.15487216      0.17820137      1.80860481
+H      2.59415186      1.93509954     -0.64516732
+H      4.73092121      0.65576725     -1.28084775
+H      5.12279690      0.46838569      0.43842373
+H      4.98403537      3.19799794     -1.03442023
+H      6.20520648      2.34290524      1.72290159
+H      6.30772909      4.02491664      0.94735538 
+
+17
+-1726.0952959582291 11.696868 12.9417 -9.2323 -7.0634 -9.031 0.9641 -0.0059 1.227 8.45231 -0.54249 6.0890888446 6.0890888446 0.391023375
+C      0.82190919     -0.13666298      0.09926697
+C      2.31267258     -0.00943611      0.17166217
+C      3.05718575      1.10130803      0.01297893
+C      2.53419432      2.48374246     -0.27112926
+C      4.54401547      1.03516299      0.15456635
+C      5.36697219     -0.04783313     -0.40631074
+O      5.32738777      1.23768550     -1.05614569
+H      0.53299418     -0.88158565     -0.65984195
+H      0.31870578      0.80681360     -0.14617324
+H      0.41432455     -0.49784822      1.05774974
+H      2.84763543     -0.94055090      0.38938445
+H      1.44453071      2.51574794     -0.38504168
+H      2.99114959      2.87723058     -1.19246719
+H      2.81136941      3.17745128      0.54002301
+H      4.95695882      1.58722939      1.01215416
+H      4.87871425     -0.85841719     -0.95680674
+H      6.32206000     -0.30136760      0.06720071 
+
+17
+-1725.4286324866848 11.606238 12.70346 -9.4852 -7.2803 -9.4 1.1241 -0.1193 1.192 8.77748 -0.56528 6.4075840814 6.4075840814 0.445083842
+C      2.85852176     -0.34704884     -1.72425575
+C      2.81178349     -0.64210725     -0.24792052
+C      2.29371793     -1.78128704      0.23614324
+C      3.38612809      0.41344870      0.67347412
+C      4.88936752      0.56641191      0.53444176
+C      5.50982305      1.60917294     -0.30126035
+O      5.47576432      1.74109130      1.13301012
+H      2.33785429      0.59792375     -1.95116463
+H      2.39044362     -1.14825024     -2.31048840
+H      3.89559872     -0.22542293     -2.07520906
+H      1.88032794     -2.54515620     -0.42552527
+H      2.26201464     -1.98196272      1.30888187
+H      3.15848177      0.15616116      1.71951524
+H      2.92206705      1.39371857      0.46930734
+H      5.46641150     -0.35166125      0.70840158
+H      4.86589805      2.30833594     -0.84683664
+H      6.50346628      1.44448222     -0.73189465 
+
+17
+-1722.322001302908 11.650578 12.86916 -9.5349 -7.4251 -9.49 1.1845 -0.02 1.33 8.92551 -0.75465 6.6451164602 6.6451164602 0.469334229
+C      1.80975450     -0.04010052      0.47044043
+C      2.61350031      0.05871672     -0.83957365
+C      1.74806571     -0.24834538     -2.03423508
+C      1.97992455     -1.21901114     -2.92348429
+C      3.22151935      1.44748719     -0.96480735
+C      4.55329306      1.76594806     -0.42370645
+O      4.35231118      1.60111891     -1.84238601
+H      2.44426259      0.18102861      1.34088687
+H      1.39216109     -1.04863143      0.59147103
+H      0.97013131      0.67209022      0.47385768
+H      3.44715811     -0.66363079     -0.81381325
+H      0.86544383      0.39213099     -2.15763163
+H      2.85076233     -1.87355747     -2.83792501
+H      1.31222249     -1.38919537     -3.76913049
+H      2.49379426      2.26896563     -1.03478369
+H      5.13581347      0.97224866      0.05765892
+H      4.78275186      2.78630712     -0.09820801 
+
+19
+-1867.6763881104305 11.597208 13.13384 -9.9185 -7.7644 -11.904 0.9014 -0.0087 2.709 11.02889 -2.43439 9.2388539858 11.2903387404 0.230663979
+C      0.78695893     -0.20318101     -0.08394665
+C      2.31826379     -0.16001057     -0.14528802
+C      2.84407107     -1.01736080     -1.30389238
+C      2.81150136      1.29733466     -0.23016069
+C      4.30897833      1.44589876     -0.10708667
+C      5.19362629      1.65459301     -1.26710942
+O      4.85893056      2.75125237     -0.39459569
+H      0.40189705      0.37392256      0.76978482
+H      0.42267934     -1.23646966      0.01405263
+H      0.34646381      0.22024000     -1.00099597
+H      2.70551901     -0.58863262      0.79837901
+H      2.48783326     -0.62549617     -2.27069220
+H      2.49132241     -2.05547103     -1.21562900
+H      3.94259798     -1.03799573     -1.33464071
+H      2.34400801      1.88255293      0.58019868
+H      2.48088759      1.75365644     -1.17912388
+H      4.75511457      0.97506169      0.78069199
+H      4.75118100      1.70659801     -2.26833883
+H      6.23839562      1.32701716     -1.22630702 
+
+17
+-1728.4151174852996 12.194569 13.23816 -8.8862 -6.7977 -8.904 1.0944 -0.117 1.145 8.35428 -0.47526 5.9588043558 5.9588043558 0.450340274
+C      0.94970200      0.02254963     -0.37637171
+C      2.34596725     -0.34605544      0.04884386
+C      2.44492375     -1.61564611      0.85243056
+C      3.39472456      0.42937844     -0.29586159
+C      4.81275876      0.20653261      0.03318794
+C      5.89150538      0.73833650     -0.82853576
+O      5.57868869      1.39515602      0.40640065
+H      0.93136118      0.94691075     -0.96772780
+H      0.29741597      0.15980930      0.50187795
+H      0.49514621     -0.78172023     -0.97820215
+H      1.76152205     -1.57362691      1.71582318
+H      3.45382706     -1.82000170      1.22874546
+H      2.12817553     -2.48121281      0.24718522
+H      3.20338042      1.33874026     -0.87608637
+H      5.06274797     -0.66869639      0.64150165
+H      5.62167193      1.29021655     -1.73654366
+H      6.85702127      0.21998953     -0.85823745 
+
+19
+-1868.2549533802182 11.508491 12.85761 -9.8355 -7.7349 -11.853 0.8805 -0.0232 2.553 10.9745 -2.19674 9.2220538828 11.1909391642 0.171851358
+C      1.10759995      0.19818608      0.02257856
+C      2.61912267     -0.09439404      0.01176953
+C      3.00750649     -0.91755323      1.24927968
+C      2.99314826     -0.87405551     -1.26426124
+C      3.35117074      1.24656323     -0.03959155
+C      3.91838037      1.95277935      1.12206451
+O      4.77635863      1.26066256      0.18992277
+H      0.80534939      0.78119917     -0.86114887
+H      0.81730970      0.76473349      0.92029276
+H      0.53470917     -0.74112352      0.01473051
+H      2.64151590     -0.45497369      2.17763524
+H      4.09902756     -1.02831895      1.31984748
+H      2.56526171     -1.92248262      1.18560444
+H      2.72747855     -0.30633666     -2.16935872
+H      2.46096916     -1.83636340     -1.30083688
+H      4.07356639     -1.07587179     -1.29431104
+H      3.05062080      1.87186951     -0.89379320
+H      3.86100327      1.50233766      2.11773695
+H      3.99634129      3.04545238      1.10203908 
+
+15
+-1565.6021973402446 11.145569 12.55861 -9.9673 -7.6803 -9.81 0.878 -0.0668 2.174 9.36627 -1.83214 4.3593849558 10.2794684838 0.407623798
+C      1.10862703      0.16767362     -0.01147886
+C      2.62659883     -0.09570204     -0.09610349
+C      2.96565814     -0.88219406     -1.28257820
+C      3.22703189     -1.51721984     -2.28335940
+C      3.39719190      1.22078583     -0.08233524
+C      3.79903900      1.85348501      1.18399077
+O      4.76535304      1.17989912      0.35113073
+H      0.86741819      0.71883694      0.90790553
+H      0.55435162     -0.77919670     -0.01079302
+H      0.76879295      0.75806626     -0.87375425
+H      2.94520983     -0.66489050      0.79527127
+H      3.47078171     -2.08365136     -3.15870696
+H      3.22084967      1.86371094     -0.95438621
+H      3.57047135      1.34956381      2.13003837
+H      3.90556485      2.94193298      1.23860894 
+
+15
+-1572.7793416198733 11.440756 13.39564 -9.6135 -7.3148 -9.468 0.8175 -0.0494 2.197 9.03585 -1.76079 4.1547212656 9.8439800574 0.554296246
+C      0.87842023     -0.08842460     -0.06036854
+C      2.33240501     -0.03578844     -0.01757504
+C      3.54734159     -0.00172992      0.01917314
+C      5.00448216      0.07136395      0.06010353
+C      5.50785780      1.50508129      0.12384466
+C      5.82549144      2.15285747      1.40415932
+O      6.87710484      1.67747491      0.53329484
+H      0.44455753      0.92278075     -0.05557125
+H      0.47403275     -0.62912248      0.80840650
+H      0.52462777     -0.59981025     -0.96808384
+H      5.43023622     -0.41346042     -0.83537037
+H      5.39789577     -0.47901536      0.93073835
+H      5.20180102      2.14258635     -0.71476044
+H      5.69873991      1.58552113      2.33280161
+H      5.75517596      3.24139564      1.49585752 
+
+17
+-1726.3054186332147 12.259783 13.52495 -9.1813 -7.0814 -9.218 1.2342 -0.1827 1.088 8.70542 -0.45519 6.2061068314 6.2061068314 0.482146053
+C      2.12273847     -1.03502788      0.76296282
+C      3.02788102     -0.30487791     -0.24143410
+C      3.09950582      1.17203241      0.00641925
+C      4.21651984      1.86268170      0.28255613
+C      4.23485019      3.31264153      0.54385476
+C      5.28332008      3.94402082      1.37362887
+O      5.32578095      4.07318284     -0.05459654
+H      2.06101720     -2.10729701      0.52927486
+H      1.10051129     -0.62791065      0.74514026
+H      2.50686342     -0.92880076      1.78769176
+H      2.63690274     -0.47736878     -1.26002186
+H      4.04218702     -0.73378450     -0.21775982
+H      2.14517630      1.71435327     -0.02983849
+H      5.18668912      1.35390767      0.31637678
+H      3.26415877      3.82148998      0.48896703
+H      6.06746998      3.31513527      1.81062000
+H      5.04762780      4.86137200      1.92488830 
+
+17
+-1721.7130730199704 11.498922 12.5895 -9.4239 -7.2417 -9.3 1.0896 -0.3145 1.178 8.65583 -0.52668 6.2622600908 6.2622600908 0.351035491
+C      1.91952505     -0.23644677      1.35787418
+C      2.27223673      0.28265071     -0.04735775
+C      2.94172316      1.63836729     -0.03544921
+C      2.27954317      2.77782176     -0.28664644
+C      4.42349384      1.68453640      0.21512348
+C      5.01149033      2.04726922      1.52008599
+O      5.00691180      0.67826645      1.07198321
+H      1.43064830     -1.21933176      1.29219264
+H      1.23034774      0.45455787      1.86474987
+H      2.82164691     -0.34310068      1.97404495
+H      1.35658120      0.34797943     -0.65529141
+H      2.93763675     -0.44529824     -0.54024868
+H      1.21672629      2.77233475     -0.53685345
+H      2.77744108      3.74967620     -0.25789099
+H      5.03252401      1.88938148     -0.67630945
+H      4.33689328      2.26754771      2.35398486
+H      5.99836036      2.52098817      1.56012818 
+
+19
+-1867.7380149904657 11.550898 13.06292 -9.8898 -7.7533 -11.884 0.9206 0.028 2.679 11.00552 -2.36571 9.234105322 11.3360523786 0.13029714
+C      2.91269707     -0.91382799     -1.03969610
+C      2.46132072     -0.02027786      0.11836745
+C      3.04379199      1.40575233      0.10515195
+C      2.42462425      2.26898596      1.21285917
+C      4.55230705      1.38766006      0.25224336
+C      5.47827640      1.48486860     -0.88888169
+O      5.24934376      2.62152385     -0.03443194
+H      2.42385146     -1.89723078     -0.99049640
+H      3.99892060     -1.08344978     -1.02714923
+H      2.65702154     -0.46440594     -2.01177386
+H      2.71759503     -0.49931643      1.08054862
+H      1.36181338      0.06255046      0.10938730
+H      2.81573818      1.87165183     -0.87110376
+H      2.61812787      1.83203506      2.20562204
+H      1.33473488      2.34530111      1.08785757
+H      2.84567290      3.28344438      1.20024547
+H      4.92157810      0.88157755      1.15754342
+H      5.06779714      1.57428111     -1.90120352
+H      6.47902767      1.04380647     -0.82065985 
+
+15
+-1570.0355229912232 11.76871 13.58359 -9.4334 -7.2301 -9.332 0.9404 -0.0948 2.079 8.9091 -1.5983 4.136296946 10.0552522014 0.285288149
+C      0.97224279     -0.07761749      0.00335365
+C      2.51048108     -0.02730015      0.00333521
+C      3.03541982      1.33256218      0.00907666
+C      3.43854457      2.48120611      0.00518393
+C      3.95500023      3.82192815      0.03044422
+C      3.92751924      4.69571369     -1.16610200
+O      3.00429599      4.91871017     -0.09183953
+H      0.62686636     -1.12050345     -0.00000624
+H      0.56534315      0.42624742     -0.88333775
+H      0.56556824      0.42102330      0.89298691
+H      2.89978100     -0.56081090     -0.88021383
+H      2.90017512     -0.56684885      0.88277489
+H      4.74116047      4.01147487      0.77079268
+H      3.48761736      4.30301295     -2.08817531
+H      4.70811460      5.45531199     -1.28496349 
+
+21
+-2017.5437452917622 12.499873 14.55296 -10.1295 -7.7882 -12.048 0.9327 -0.0408 2.873 11.57142 -2.66257 9.9143793082 10.950133555 0.160311209
+C      0.92868340     -0.05923153     -0.00231811
+C      2.45757147     -0.01008371      0.02213024
+C      3.01527171      1.41596651     -0.00893778
+C      4.54534795      1.47867052      0.00999001
+C      5.09670164      2.90783316     -0.01790194
+C      6.62280633      2.95668313     -0.01054295
+O      7.15198481      4.28832680      0.02453872
+H      0.55729671     -1.09382012      0.02110677
+H      0.53006838      0.41794828     -0.91094692
+H      0.49997482      0.46898184      0.86329504
+H      2.85907915     -0.57519276     -0.83702632
+H      2.82943885     -0.52506014      0.92493956
+H      2.61655283      1.98116822      0.85264719
+H      2.64016510      1.93299858     -0.91071905
+H      4.94277114      0.91334299     -0.85215208
+H      4.91892254      0.96126758      0.91182223
+H      4.72165460      3.47695836      0.84901664
+H      4.72266198      3.42596751     -0.92045878
+H      7.02328855      2.39743791     -0.87867365
+H      7.01290502      2.46930574      0.89664619
+H      6.84961303      4.74615112     -0.77942500 
+
+13
+-1446.6054310707116 11.336761 12.00401 -9.7877 -7.6868 -9.933 -0.2438 -2.0371 -0.986 9.84762 1.57292 3.4052258956 10.8736837874 0.675554077
+C      1.08033545      0.32848994     -0.30221639
+C      2.38300948      0.30755448      0.03112481
+C      3.23920182     -0.93614397      0.14151664
+C      2.54627595     -2.18465278     -0.13521030
+C      1.95989518     -3.22135675     -0.36798241
+C      3.05698885      1.59364553      0.31840350
+O      4.23415426      1.70085944      0.63077713
+H      0.54169542      1.27700013     -0.35557779
+H      0.53096941     -0.58742916     -0.52397006
+H      3.68268419     -0.96390698      1.15171815
+H      4.10366908     -0.82400214     -0.53539768
+H      1.45583921     -4.14443767     -0.57008345
+H      2.39526173      2.49221990      0.22759785 
+
+15
+-1603.7457311784115 13.260903 13.13575 -8.8442 -6.827 -8.733 0.1115 -1.56 -0.52 8.26312 1.12172 3.6356662752 4.841591307 0.745521371
+C      1.16507112     -0.49618126     -0.18091499
+C      2.48381869     -0.24007544     -0.08362072
+C      3.05758248      1.09168308     -0.09759551
+C      4.38059448      1.34959583     -0.01581109
+C      4.98786590      2.72205643      0.00828703
+C      5.46361169      3.05291626      1.41824242
+O      6.62303811      3.23049025      1.73500590
+H      0.77984236     -1.51549948     -0.16485251
+H      0.43575165      0.31149141     -0.27806533
+H      3.18665363     -1.07488551      0.01355412
+H      2.35525845      1.92872361     -0.19557058
+H      5.08050941      0.51245110      0.08201542
+H      4.23052428      3.47347623     -0.27255099
+H      5.84956531      2.80299947     -0.67026705
+H      4.64170245      3.09904801      2.17847388 
+
+15
+-1601.9557545036091 12.233682 12.31652 -9.0284 -6.9705 -8.979 0.1343 -1.4338 -0.267 8.43481 1.00515 3.6407744984 5.2014234762 0.6975343
+C      2.92913929     -1.12281617      0.24321151
+C      2.27355534      0.04386779      0.09769834
+C      2.87009935      1.37683822      0.00206553
+C      2.07775559      2.46487113     -0.11675106
+C      4.37552586      1.52478655     -0.00308069
+C      4.98097860      1.25280781     -1.37335902
+O      5.91330187      1.88086031     -1.83654641
+H      2.38350909     -2.06407867      0.30890391
+H      4.01688557     -1.18670864      0.30418333
+H      1.17989124      0.02342718      0.04485574
+H      0.99069752      2.36925014     -0.13562574
+H      2.49247704      3.47104982     -0.18915293
+H      4.83483580      0.80702969      0.69993400
+H      4.68771383      2.52948367      0.31087527
+H      4.50536400      0.41880119     -1.94870178 
+
+15
+-1594.290042514792 11.929312 12.45439 -9.3792 -7.276 -9.679 0.6055 -1.2559 -0.239 9.88489 0.86786 3.6038638662 6.3562414788 0.404129992
+C      2.08935925     -1.18227856      0.61607460
+C      3.15430368     -0.38257615      0.73076414
+C      3.15502626      1.08794723      0.37665345
+C      3.49570163      1.95735968      1.56649463
+C      2.68511343      2.89401708      2.06891612
+C      4.20402373      1.32758510     -0.72511849
+O      5.39068042      1.10890254     -0.58702065
+H      2.14462440     -2.23747267      0.88655856
+H      1.12621762     -0.81006718      0.25861487
+H      4.11051551     -0.77758314      1.08715826
+H      2.16639618      1.37308460     -0.01807721
+H      4.48342292      1.78390908      2.00429002
+H      1.69662598      3.08695210      1.64503889
+H      2.98171679      3.49379587      2.93027320
+H      3.79782220      1.72677442     -1.68884039 
+
+13
+-1447.229083668665 12.353502 13.22417 -9.1935 -7.1095 -8.94 0.7442 -1.1991 -0.159 8.50876 0.82598 3.6431674282 6.0749916364 0.266639199
+C      0.92443997     -0.11161379     -0.00866121
+C      2.26631058      0.00611835      0.00193565
+C      2.97291263      1.23541290      0.00878678
+C      3.64432523      2.25450427      0.01494289
+C      4.36215756      3.51685454      0.01776227
+C      3.43596233      4.72227241     -0.17050955
+O      3.60178396      5.78652077      0.38594694
+H      0.45375032     -1.09422531     -0.01845481
+H      0.27510246      0.76447793     -0.00847558
+H      2.88320102     -0.89906004      0.00239014
+H      5.08155609      3.54670384     -0.82322517
+H      4.94655520      3.66630134      0.93893211
+H      2.58871266      4.55127279     -0.88061046 
+
+15
+-1603.0818434209696 12.711477 13.10151 -9.5008 -7.4539 -9.801 -0.1551 -1.8882 -0.875 9.45689 1.49811 3.4355652698 5.2048826856 0.754977368
+C      1.37891815     -0.32027304      1.09090017
+C      2.23682331     -0.13859310      0.08163650
+C      3.07608061      1.10032220     -0.12305945
+C      4.54301812      0.79416674     -0.04776769
+C      5.44073165      0.98133798     -1.03473307
+C      6.85255618      0.62934989     -0.84756462
+O      7.72373752      0.77466061     -1.69519780
+H      0.79970624     -1.23964501      1.18506841
+H      1.22104576      0.44712508      1.85313552
+H      2.37225805     -0.93047702     -0.66263449
+H      2.82047380      1.83791068      0.65723169
+H      2.84476767      1.55741943     -1.09914568
+H      4.89432077      0.36250995      0.89831561
+H      5.15952747      1.40068813     -2.00542041
+H      7.09581470      0.20054747      0.16062530 
+
+15
+-1602.117117700706 11.901395 12.35333 -9.6658 -7.493 -9.539 -0.2094 -1.9789 -0.941 9.81492 1.52521 3.412962622 6.5151419364 0.3893571
+C      1.35405408     -0.63983855      0.82904795
+C      2.24031563     -0.20343183     -0.07146572
+C      3.15655910      0.97678701      0.14026210
+C      4.61666955      0.59757993      0.04920248
+C      5.44215313      0.48345955      1.10672005
+C      5.18909679      0.33291174     -1.29248772
+O      4.56630892      0.42155184     -2.34093071
+H      0.70785422     -1.49356989      0.62051405
+H      1.23889816     -0.15494605      1.80211266
+H      2.33009181     -0.70691412     -1.03875185
+H      2.95202636      1.44187252      1.11562473
+H      2.95371760      1.72363167     -0.64677309
+H      5.10774361      0.66780361      2.12895554
+H      6.48799966      0.19808624      0.96743238
+H      6.27101137      0.04159633     -1.28546287 
+
+13
+-1442.3621103390394 12.139076 13.28379 -9.9276 -7.8988 -9.847 -0.1309 -1.982 -0.734 9.78357 1.34777 3.4814896842 10.4623850296 0.328591231
+C      1.59185885     -0.58155022      1.05250535
+C      2.44673681     -0.17234051      0.11223680
+C      3.18096406      1.14929139      0.15701832
+C      4.62634258      1.01659029      0.04498878
+C      5.83899398      0.91968855     -0.05412890
+C      7.26107416      0.74518375     -0.16921375
+O      8.08398064      1.63955605     -0.01633262
+H      1.07343017     -1.53711651      0.96874181
+H      1.37990208      0.02409661      1.93693486
+H      2.65039649     -0.79954659     -0.76047152
+H      2.93639752      1.69256040      1.08500649
+H      2.83884571      1.79539540     -0.67309686
+H      7.57693695     -0.29749862     -0.41477876 
+
+17
+-1742.164815918399 11.966318 13.25567 -9.6285 -7.4206 -9.634 1.2385 -0.8257 -0.052 10.11827 0.68271 3.6750318302 6.684767183 0.47937822
+C      1.72790724     -0.58345772     -1.17086796
+C      2.42581964     -0.06962414     -0.15196527
+C      3.04538412      1.29751204     -0.13055749
+C      4.57082554      1.25934950      0.05994906
+C      5.18767065      2.65381189      0.10038143
+C      6.68063463      2.69482248      0.30929972
+O      7.39585740      1.72210388      0.46374064
+H      1.30727862     -1.58902316     -1.12604436
+H      1.55184968     -0.01159135     -2.08608762
+H      2.58170642     -0.67996057      0.74600601
+H      2.60081703      1.88304730      0.69586092
+H      2.79443297      1.82990233     -1.06364864
+H      5.03165127      0.67786990     -0.75332686
+H      4.82168038      0.72448777      0.98974991
+H      4.73987840      3.27463998      0.90069876
+H      4.97984535      3.21924043     -0.82834416
+H      7.11720066      3.72889942      0.31588590 
+
+19
+-1875.278294465018 12.467825 13.78938 -9.1767 -6.9591 -9.13 0.9897 -0.0456 1.326 8.60879 -0.70593 6.283734466 6.283734466 0.40799823
+C      0.62630798      0.47159194     -0.60025339
+C      2.10924551      0.61580202     -0.75978418
+C      2.92872320      1.20863392      0.11970988
+C      4.41839562      1.34237171     -0.02471143
+C      4.92583309      2.79704874      0.03112759
+C      4.47299946      3.64110652     -1.15832622
+O      5.00779100      4.97184831     -1.13848305
+H      0.08642993      0.95206304     -1.43226505
+H      0.27553538      0.92040196      0.33976871
+H      0.32596702     -0.58871615     -0.60563087
+H      2.54321160      0.19337775     -1.67516269
+H      2.49546928      1.63249616      1.03647801
+H      4.74423006      0.87042190     -0.96721661
+H      4.91013369      0.78129115      0.78930661
+H      6.02660863      2.80478582      0.06795075
+H      4.57424233      3.26870071      0.96721726
+H      3.36953861      3.65803150     -1.21869056
+H      4.84267408      3.19642857     -2.09588975
+H      4.65275354      5.42021442     -0.35099501 
+
+15
+-1603.9727350849614 12.161726 12.38346 -9.0382 -7.0508 -9.028 -0.4791 -2.0681 -0.726 9.51269 1.4871 3.4868086836 5.4644597752 0.367061542
+C      1.13937171     -1.18485903      0.64004700
+C      2.45891964     -0.59575071      0.28701800
+C      2.76516420      0.71248557      0.07654975
+C      1.86606881      1.86738772      0.17205926
+C      0.82973929      2.03740735      1.01254891
+C      4.15539388      1.01897678     -0.38030791
+O      5.08159150      0.22398689     -0.43079033
+H      1.00620377     -2.15759541      0.14492047
+H      0.30243906     -0.52201066      0.38079075
+H      1.07875493     -1.38204135      1.72491686
+H      3.29508306     -1.29008475      0.14627995
+H      2.11426360      2.69672851     -0.50204315
+H      0.55528547      1.29498904      1.76221626
+H      0.24333376      2.95639247      0.99182573
+H      4.30885733      2.08370758     -0.69512155 
+
+19
+-1878.5121560236457 12.3179 13.36169 -9.0763 -6.9365 -8.79 0.8323 -0.1129 1.335 8.2167 -0.65825 5.9786297172 5.9786297172 0.374385442
+C      0.96548318     -0.22180674      0.22452031
+C      2.43092758      0.09416934      0.18450600
+C      3.02553867      1.28246216     -0.05704158
+C      2.28871417      2.56566922     -0.34080435
+C      4.53447908      1.39449049     -0.01474217
+C      5.03411987      1.97254893      1.32076741
+O      4.69020114      1.14646174      2.43276172
+H      0.70317958     -0.95196779     -0.55874078
+H      0.32808748      0.66041746      0.08634269
+H      0.69028926     -0.68830005      1.18419841
+H      3.09372435     -0.76432842      0.34799317
+H      1.20037349      2.46977647     -0.25074717
+H      2.51430338      2.91477893     -1.36228642
+H      2.61272431      3.36958270      0.33935761
+H      4.89249567      2.04580862     -0.83099414
+H      4.99190942      0.40295847     -0.15400529
+H      4.64480585      3.00030170      1.46024723
+H      6.13250726      2.03414449      1.31245192
+H      3.75472626      0.89260226      2.30442541 
+
+19
+-1878.737277537358 12.338794 13.49307 -9.0719 -6.9259 -8.949 0.8457 -0.1036 1.316 8.36977 -0.63464 6.094221865 6.094221865 0.371371094
+C      0.83008985     -0.13693725      0.20699323
+C      2.32055145      0.01887584      0.25707244
+C      3.04423582      1.13271548      0.03139802
+C      2.46106169      2.47634117     -0.32503825
+C      4.56590350      1.13389143      0.10128707
+C      5.22965744     -0.11039657      0.68337898
+O      5.12079741      1.44166553     -1.20394386
+H      0.53945048     -0.88836245     -0.54504302
+H      0.30352600      0.79565700     -0.02807706
+H      0.44677069     -0.50414478      1.17279985
+H      2.86106408     -0.89564590      0.52063098
+H      1.39010145      2.43653312     -0.55407734
+H      2.98722893      2.89722551     -1.19435753
+H      2.60355823      3.18933166      0.50483991
+H      4.86988429      2.00287469      0.71251158
+H      5.00265170     -1.00935434      0.09034863
+H      4.90962404     -0.29002071      1.71974122
+H      6.31828160      0.03107353      0.67397176
+H      4.79409134      0.75099707     -1.81041661 
+
+17
+-1756.2088100434746 12.095894 12.90283 -9.0428 -7.1572 -9.568 0.197 -1.4091 -0.532 9.21045 1.17895 3.4734305942 5.0243714682 0.408378486
+C      0.84930122     -0.12770038      0.14812624
+C      2.32799429      0.02948844      0.00448675
+C      3.03860636      1.17656796     -0.10922048
+C      2.45104143      2.56101671     -0.11144833
+C      4.52871350      1.12901123     -0.24737419
+C      5.25817368     -0.20696585     -0.26884633
+O      5.16594424      2.17784502     -0.34633095
+H      0.45015202     -0.75473030     -0.66582162
+H      0.30562904      0.82384151      0.14482572
+H      0.60933266     -0.65750029      1.08469120
+H      2.88333714     -0.91296120     -0.00731083
+H      1.36326348      2.55600134      0.01675431
+H      2.69375237      3.07804912     -1.05119836
+H      2.89968115      3.16667418      0.68885974
+H      4.92976012     -0.82814067     -1.11465511
+H      5.08018274     -0.77882545      0.65303213
+H      6.33035455     -0.00637135     -0.36614986 
+
+17
+-1746.4772111974312 12.040937 12.90041 -9.0612 -6.9314 -9.116 0.8111 -1.0375 -0.16 8.56064 0.8093 3.665770076 5.2945617594 0.202268425
+C      0.70800578     -0.25863296     -0.22369289
+C      2.16114626      0.04739792     -0.02604503
+C      2.74438227      1.25515580      0.11153202
+C      2.02660330      2.57792964      0.08176096
+C      4.25296325      1.35888703      0.26827393
+C      4.86096818      1.75785829     -1.06436015
+O      5.33904596      2.84772078     -1.31818366
+H      0.55215822     -0.81744569     -1.16068132
+H      0.07779647      0.63824705     -0.25942875
+H      0.33165043     -0.90315891      0.58692609
+H      2.81511806     -0.83132553      0.02321294
+H      0.95540329      2.47738049     -0.12690841
+H      2.46192210      3.24539353     -0.67878159
+H      2.13850604      3.09731637      1.04767838
+H      4.66837825      0.37937644      0.55365480
+H      4.53103158      2.11070029      1.02203743
+H      4.79804056      0.95986946     -1.85032475 
+
+17
+-1738.723328251907 14.012457 14.19526 -8.4911 -6.4933 -8.252 0.5129 -0.9571 0.249 7.79356 0.35264 4.913441194 4.913441194 0.796436317
+C      0.92045973      2.83097914      0.44786718
+C      2.28806942      2.33851586      0.79379159
+C      3.39451888      2.52219659      0.04286436
+C      4.71044502      2.03324696      0.40072880
+C      5.83075978      2.22029244     -0.33079861
+C      7.17632391      1.69311791      0.05097592
+O      7.70991154      0.78704564     -0.93576967
+H      0.53032903      3.50277074      1.22990416
+H      0.20441599      1.99599732      0.37420278
+H      0.91306546      3.37468201     -0.50684572
+H      2.38591301      1.78643303      1.73662970
+H      3.31131013      3.07507167     -0.90091952
+H      4.78743531      1.47812832      1.34476653
+H      5.77623895      2.76555407     -1.28005824
+H      7.13013468      1.21425167      1.04723178
+H      7.91627743      2.50746206      0.10634893
+H      7.02477174      0.11273457     -1.09565996 
+
+15
+-1612.6379944329233 14.458387 13.57021 -8.9195 -7.0877 -8.937 -0.643 -2.2119 -1.189 8.3897 1.85424 3.3923561488 4.2563525898 0.973572654
+C      0.68836272      0.09881692     -0.05087495
+C      2.16433380     -0.01478528     -0.22604761
+C      3.08138249      0.81575194      0.32121306
+C      4.50064831      0.66800602      0.12614303
+C      5.45522907      1.47652936      0.65706312
+C      6.87084393      1.23808360      0.39613107
+O      7.79089128      1.92067801      0.83593151
+H      0.27530739     -0.81876437      0.39881131
+H      0.18573061      0.21400929     -1.02496402
+H      0.41468502      0.95130982      0.58474367
+H      2.52298102     -0.84208824     -0.85036287
+H      2.74380581      1.64865865      0.94835907
+H      4.82879752     -0.16895218     -0.50407816
+H      5.20034749      2.32852268      1.29373516
+H      7.07733353      0.35238378     -0.26221340 
+
+17
+-1735.9640076249987 13.003376 13.30032 -8.7348 -6.7125 -8.475 0.4655 -1.0253 0.233 7.96 0.33973 5.0744246164 5.0744246164 0.743795936
+C      1.51274515      2.87458935     -0.83718491
+C      2.96964349      2.58035254     -0.66646444
+C      3.46641817      1.42468486     -0.17655452
+C      4.88194763      1.09166033     -0.00294983
+C      5.25690666     -0.15154888      0.36531556
+C      5.91334591      2.17643801     -0.22165444
+O      5.86669315      3.20791099      0.77915058
+H      1.21953968      3.77727684     -0.27714454
+H      0.88690614      2.03929117     -0.49460265
+H      1.27113916      3.07567996     -1.89355939
+H      3.65832813      3.36954799     -0.99129555
+H      2.75725806      0.64357913      0.12333418
+H      4.52130277     -0.94093204      0.53433760
+H      6.30755685     -0.41124327      0.50172645
+H      5.79334700      2.61285624     -1.23265285
+H      6.92343423      1.74874996     -0.16390503
+H      4.92752783      3.41100682      0.93914376 
+
+15
+-1604.002456356594 12.315589 12.80298 -8.9656 -6.9513 -8.963 -0.5645 -2.2247 -0.807 8.50194 1.40468 3.4288452286 5.4633686984 0.408872609
+C      0.71549094      0.37644560      0.23970735
+C      2.03791888      0.06085248     -0.37990019
+C      3.23291659      0.38174964      0.14968771
+C      4.54548589      0.09688881     -0.44182429
+C      4.81260230     -0.00949903     -1.76276972
+C      5.68192221     -0.04595714      0.52522233
+O      6.82052578     -0.37290608      0.23469993
+H      0.12783382     -0.53994023      0.41028611
+H      0.11020509      1.01073530     -0.42846186
+H      0.82867779      0.90012372      1.19870540
+H      2.01353000     -0.48392936     -1.33120188
+H      3.25090282      0.86939101      1.13299999
+H      4.04721173      0.15126572     -2.52246633
+H      5.82695370     -0.24836606     -2.08541550
+H      5.41007247      0.17838562      1.58926097 
+
+19
+-1877.8403369565738 12.463284 13.69347 -9.3969 -7.2422 -9.099 0.9007 0.0175 1.297 8.56037 -0.66152 6.2374380936 6.2374380936 0.408394753
+C      0.74621063      0.71651357     -0.29413696
+C      2.18557929      0.75678841      0.12168311
+C      3.21408134      1.08955653     -0.67459494
+C      4.65751067      1.15939959     -0.25455348
+C      5.57441534      0.41603291     -1.23673486
+C      5.08822336      2.63539906     -0.12927536
+O      4.33899145      3.35329482      0.84835638
+H      0.33050705     -0.29768501     -0.18123245
+H      0.61819539      1.02472802     -1.34115093
+H      0.12927012      1.37594950      0.33695605
+H      2.40202187      0.47017779      1.15872249
+H      3.00464717      1.37150601     -1.71677008
+H      4.75445065      0.70842742      0.74843075
+H      5.50604603      0.84876244     -2.24725140
+H      5.29738783     -0.64474417     -1.30767260
+H      6.62525841      0.47409180     -0.91633154
+H      5.01572234      3.12131484     -1.12420214
+H      6.13992947      2.68988544      0.19158618
+H      3.39917158      3.14374104      0.68185178 
+
+19
+-1880.2018944345205 12.440699 13.64832 -9.318 -7.1648 -9.242 0.91 -0.0873 1.268 8.69531 -0.63064 6.3179298048 6.3179298048 0.385493862
+C      0.88501026      0.95216150     -1.06658022
+C      2.37482582      0.78870891     -1.06614286
+C      3.19548153      1.26419428     -0.11880555
+C      4.70348511      1.14884416     -0.06428915
+C      5.12761322      0.46204089      1.23899181
+C      5.31902445      0.43806787     -1.27407436
+O      5.25285398      2.49549948      0.03754276
+H      0.54109445      1.46467933     -1.97941034
+H      0.53996661      1.52902929     -0.19741678
+H      0.37966394     -0.02705413     -1.05123656
+H      2.79564080      0.22855995     -1.90850342
+H      2.76932283      1.82291474      0.72428618
+H      4.70325451      0.99043248      2.10367002
+H      6.22316293      0.47623375      1.32901802
+H      4.78072932     -0.57973423      1.25699286
+H      5.04979894      0.94397315     -2.21322033
+H      4.98995699     -0.60900082     -1.34074072
+H      6.41309087      0.45293157     -1.18006233
+H      4.90158346      2.99872784     -0.71911903 
+
+17
+-1745.6797281282425 12.112058 13.18784 -9.2378 -7.114 -9.46 0.757 -1.0538 -0.157 8.94728 0.8085 3.6644186286 5.5953889912 0.265673397
+C      0.98444876      1.78802663     -1.36105472
+C      2.22081637      1.46237377     -0.58176118
+C      3.47332805      1.53384448     -1.05564824
+C      4.72412360      1.22584626     -0.26777958
+C      5.67523920      0.27243370     -0.99231162
+C      5.38792486      2.55671983      0.08493669
+O      6.50671938      2.89423150     -0.25067743
+H      0.30882390      0.91922139     -1.41289074
+H      1.22252907      2.10151445     -2.38673651
+H      0.41435634      2.59763092     -0.87775253
+H      2.07030674      1.12926797      0.45293377
+H      3.63806980      1.86266207     -2.08965832
+H      4.41095966      0.79780855      0.70428782
+H      5.97803954      0.68764722     -1.96362233
+H      5.18651054     -0.69541687     -1.16538175
+H      6.58992698      0.11091118     -0.40650044
+H      4.73374723      3.23889694      0.68762712 
+
+15
+-1581.2830161989425 13.289836 14.44764 -8.7053 -6.6124 -8.344 0.7411 -0.7811 0.571 7.95306 0.02626 3.9258183124 5.7732469082 0.462006035
+C      0.87949334     -0.02437520      0.05709294
+C      2.36980418     -0.01507441      0.15341249
+C      3.15072505      1.03247020     -0.18748847
+C      4.56441347      1.05222551     -0.10256373
+C      5.78280462      1.10897572     -0.03719220
+C      7.23809872      1.19125401      0.00252912
+O      7.74414995      2.53447131     -0.04274408
+H      0.52994952     -0.83383612     -0.60414896
+H      0.48953891      0.92795157     -0.32749000
+H      0.42202978     -0.21136405      1.04228687
+H      2.85194331     -0.92376870      0.52754122
+H      2.67750857      1.94761263     -0.56279410
+H      7.66151494      0.58308104     -0.82077016
+H      7.61785208      0.76463797      0.94431093
+H      7.28258357      2.99064855     -0.76904188 
+
+13
+-1450.1441560174133 13.802241 13.76209 -9.2452 -7.3579 -9.115 -0.7585 -2.3958 -1.059 8.60628 1.77301 3.2547688846 5.7927747032 0.458952162
+C      0.90524721     -0.02750756      0.04937094
+C      2.39208840      0.00734845      0.12431668
+C      3.15112954      1.08875005     -0.17133424
+C      4.55810151      1.10105616     -0.09544771
+C      5.78099895      1.18078658     -0.05215992
+C      7.21058696      1.19752278      0.02093152
+O      7.91045814      2.16981924     -0.24863210
+H      0.56996474     -0.80810493     -0.65244831
+H      0.48429751      0.93463226     -0.26928199
+H      0.47343765     -0.29288751      1.02758862
+H      2.89874383     -0.90971751      0.44092824
+H      2.66650141      2.01837899     -0.49044214
+H      7.66363413      0.23169300      0.35184041 
+
+19
+-1879.3206451211977 12.402182 13.57114 -9.3803 -7.2099 -9.149 1.1196 -0.0814 1.285 8.62324 -0.66294 6.263214783 6.263214783 0.405554343
+C      0.76451241      0.61576924      0.71993676
+C      2.25576522      0.75052952      0.77150520
+C      3.02855781      1.22165794     -0.22114735
+C      4.52062378      1.37307424     -0.13750754
+C      4.97045376      2.84272341      0.05253531
+C      4.64700182      3.73899241     -1.14410688
+O      4.43573187      3.38084094      1.26987208
+H      0.45828721     -0.43660762      0.83581197
+H      0.35616612      0.98926733     -0.22980857
+H      0.28530405      1.17020934      1.54277513
+H      2.74366985      0.41371356      1.69524075
+H      2.54254622      1.54671878     -1.14946250
+H      4.99664156      0.97764779     -1.05074165
+H      4.90389823      0.79111449      0.71479540
+H      6.06253562      2.83939157      0.20604220
+H      3.56371556      3.78416323     -1.33078006
+H      5.13894071      3.37158095     -2.05785110
+H      4.99822047      4.76108020     -0.94863126
+H      3.48769775      3.14206270      1.28311210 
+
+17
+-1752.022396932818 12.023033 13.07204 -8.974 -6.9037 -9.349 0.9332 -0.7856 0.099 8.86904 0.59659 3.7148189376 11.9463982608 0.267336466
+C      0.69367256      1.20036753      1.09576848
+C      2.19077671      1.16218443      1.07126563
+C      2.95208471      1.47715267      0.01343880
+C      4.45783806      1.44867127     -0.00761991
+C      5.00125233      2.86498069     -0.24497472
+C      5.18745123      3.72793170      0.98462013
+O      5.24393866      3.26859751     -1.37221759
+H      0.27444794      0.20658614      1.32075416
+H      0.28163909      1.53712374      0.13458121
+H      0.32690924      1.87852161      1.88313417
+H      2.68538605      0.83787045      1.99582389
+H      2.47206913      1.79971264     -0.91792476
+H      4.81881274      0.82271749     -0.83785627
+H      4.83947113      1.04640787      0.94368285
+H      4.30563368      3.66697249      1.63851931
+H      5.38088673      4.76672144      0.69592927
+H      6.04337000      3.34771033      1.56462533 
+
+17
+-1745.508028787873 12.127212 13.46888 -9.2402 -7.0287 -9.199 1.2397 -0.8051 -0.033 8.67783 0.68168 3.6640590692 6.2847759484 0.422503814
+C      0.48927630      1.60502110      0.38462708
+C      1.94177895      1.38800031      0.68091977
+C      2.94540398      1.57932678     -0.18648223
+C      4.40016001      1.36631305      0.11452405
+C      5.22117084      2.65062835     -0.03931547
+C      6.70087825      2.49451674      0.20101440
+O      7.26109034      1.44943185      0.47734660
+H     -0.08957784      0.67825636      0.52665326
+H      0.33451848      1.94983171     -0.64738760
+H      0.05127936      2.35278013      1.06540893
+H      2.18657352      1.04040993      1.69275632
+H      2.70413522      1.92545731     -1.20075272
+H      4.82326780      0.60324325     -0.56058520
+H      4.52550349      0.97255372      1.13459924
+H      4.86025999      3.44340965      0.64232033
+H      5.10619068      3.08866049     -1.04935305
+H      7.28812065      3.44646926      0.10605628 
+
+19
+-1875.3885558117504 12.393473 13.67756 -9.3193 -7.1205 -9.246 0.9082 -0.0768 1.345 8.61652 -0.71746 6.396685712 6.396685712 0.429148712
+C      3.11538407     -2.04156805     -0.48545396
+C      2.70775570     -0.78105687      0.23175773
+C      1.79094361     -0.78955935      1.21207869
+C      3.37570051      0.50180152     -0.21019105
+C      4.89080455      0.54632065      0.06238097
+C      5.50902782      1.88631566     -0.33086483
+O      6.93063835      1.92645307     -0.15994216
+H      2.94989049     -1.94523166     -1.57121550
+H      2.54834442     -2.90991758     -0.12603266
+H      4.18717208     -2.25564222     -0.34967608
+H      1.30707489     -1.71445680      1.53265787
+H      1.49385216      0.12935230      1.72195360
+H      2.88954449      1.35269727      0.29384163
+H      3.21031117      0.63894732     -1.29494382
+H      5.41143002     -0.25074391     -0.49083027
+H      5.06762304      0.36136144      1.13686309
+H      5.02159429      2.70765915      0.22930844
+H      5.34269527      2.08020337     -1.40205008
+H      7.11846306      1.80148470      0.78685838 
+
+17
+-1737.7988867409995 13.274209 13.4814 -8.7218 -6.7274 -8.502 0.3652 -1.1163 0.206 7.95611 0.35137 5.0926257612 5.0926257612 0.762434214
+C      4.37262584     -1.31773928      1.02107656
+C      3.20998174     -0.48409658      0.54760944
+C      1.94455500     -0.95666488      0.57527264
+C      3.46383177      0.86689668      0.04887211
+C      4.66703841      1.47055554     -0.04685715
+C      4.85430574      2.86758043     -0.54857123
+O      5.47201227      3.72106420      0.43392908
+H      4.90844076     -0.81966881      1.84384357
+H      5.10171700     -1.47672136      0.21162930
+H      4.03455933     -2.29918293      1.37626697
+H      1.71602973     -1.95885086      0.94046222
+H      1.10671614     -0.34778378      0.23005737
+H      2.57722185      1.42386375     -0.27875856
+H      5.57654679      0.95396654      0.27566984
+H      3.88783033      3.28467509     -0.88776037
+H      5.54539977      2.88626055     -1.40623777
+H      4.93003752      3.65873570      1.24128598 
+
+15
+-1611.0551919516424 13.447736 12.86608 -9.2128 -7.3263 -9.188 -0.7527 -2.3272 -1.274 8.57229 1.87744 3.3730019342 4.4209192076 0.889141253
+C      0.97341431     -0.19140853      0.17271174
+C      2.43849914     -0.29732202     -0.16078949
+C      3.01121349     -1.47395688     -0.50466089
+C      3.26592923      0.89941442     -0.11282923
+C      2.85619289      2.15112988      0.21266108
+C      3.80202220      3.26652532      0.21976251
+O      3.51383264      4.42426339      0.50173021
+H      0.46401957      0.50905388     -0.50622689
+H      0.82788489      0.18695973      1.19580077
+H      0.47943361     -1.16736407      0.09358027
+H      2.43344344     -2.39792266     -0.55450118
+H      4.07436473     -1.53594586     -0.74379198
+H      4.32414609      0.76071822     -0.36712127
+H      1.82211040      2.38192874      0.47958334
+H      4.85228336      2.98729644     -0.06003898 
+
+17
+-1732.3187326178606 12.279037 12.84386 -8.991 -6.9112 -8.854 0.7047 -0.8099 0.58 8.24568 -0.06834 5.3685690028 6.6854863018 0.482570196
+C      2.79064996     -1.19854880      1.02868856
+C      2.37463673     -0.14253847      0.03451161
+C      1.37865319     -0.35822629     -0.84630086
+C      3.11828677      1.14614527      0.02208508
+C      2.49109872      2.33559939     -0.05950874
+C      4.63170195      1.11020250      0.12716491
+O      5.09283034      0.89061779      1.47214497
+H      3.86061219     -1.43774197      0.94150358
+H      2.21013737     -2.11868925      0.88398094
+H      2.64374741     -0.84671959      2.06140551
+H      0.82475567     -1.29899869     -0.84940908
+H      1.10928730      0.38786147     -1.59486630
+H      1.40241058      2.40937064     -0.06167554
+H      3.05830404      3.26741475     -0.12288474
+H      5.04392004      2.05071254     -0.28082219
+H      5.04854057      0.27798568     -0.45936551
+H      4.67471717      1.57373304      2.02692779 
+
+15
+-1601.9111817994371 11.779977 12.278 -9.354 -7.2749 -9.392 -0.4113 -2.126 -0.828 8.8081 1.45176 3.4045191754 5.9491210492 0.291825577
+C      1.06675623     -0.00122324     -0.09072254
+C      2.56751690     -0.10622861      0.02293681
+C      3.19891697     -1.28321777      0.17876842
+C      3.33575476      1.16530511     -0.05208903
+C      4.33238054      1.38155314     -0.93387187
+C      2.99762532      2.25059273      0.92660740
+O      3.51119586      3.35805884      0.94520811
+H      0.64492939      0.66305085      0.67980965
+H      0.59036349     -0.98460134      0.01012498
+H      0.78232176      0.43002540     -1.06349657
+H      2.64239124     -2.22151079      0.22102365
+H      4.28348098     -1.33496892      0.28304158
+H      4.61143762      0.63041655     -1.67321856
+H      4.87134580      2.33084728     -0.91586664
+H      2.23367316      1.97127078      1.69467460 
+
+19
+-1878.6288358258962 12.093266 13.08696 -9.4449 -7.2773 -9.366 0.9609 -0.1111 1.273 8.72417 -0.6275 6.3970700686 6.3970700686 0.339709768
+C      2.42371474     -0.77560018      1.43214783
+C      2.44438727     -0.03833505      0.11566695
+C      1.90919898     -0.58174750     -0.98962425
+C      3.12611616      1.33734206      0.12114312
+C      3.14829314      2.02129527     -1.24977709
+C      2.47777727      2.26704800      1.15472847
+O      4.49671970      1.16673634      0.58477804
+H      3.40974118     -0.74379781      1.91674255
+H      2.12933197     -1.82332630      1.29044603
+H      1.70730778     -0.31819328      2.13243413
+H      1.45166330     -1.57284916     -0.95839818
+H      1.89529062     -0.06934069     -1.95134423
+H      3.64836792      1.39458926     -2.00315608
+H      3.70533428      2.96389112     -1.16536681
+H      2.13458348      2.24750903     -1.60957234
+H      2.55716033      1.84721046      2.16531350
+H      1.41669306      2.42459185      0.91820588
+H      2.99099343      3.23859509      1.14904196
+H      4.94091541      0.58798150     -0.06119949 
+
+15
+-1580.4109653464257 12.793602 13.79407 -8.9387 -6.8655 -8.612 0.5064 -1.0215 0.561 8.1037 0.00292999999999 3.8430948532 5.9026882922 0.463424746
+C      0.99074851      0.01398641      0.19913501
+C      2.49183350     -0.06405002      0.03560884
+C      3.15127519     -1.23504282     -0.09505554
+C      3.19008443      1.18013101      0.03549688
+C      3.72541824      2.27711701      0.06249402
+C      4.37674152      3.58177241      0.03432539
+O      3.67676018      4.55921195     -0.75254003
+H      0.73046876      0.50297198      1.14940626
+H      0.54194102     -0.98721060      0.18008960
+H      0.54385674      0.61775263     -0.60441752
+H      2.61105632     -2.18248787     -0.08002987
+H      4.23415899     -1.26612552     -0.21149820
+H      5.41936739      3.46389798     -0.31734121
+H      4.42468646      4.00342974      1.05071733
+H      3.47574275      4.14489570     -1.61093096 
+
+13
+-1448.3942420280885 12.978197 13.14676 -9.4329 -7.5273 -9.314 -0.8155 -2.5008 -1.13 9.60773 1.78579 3.1770420612 5.7862778368 0.426939613
+C      1.00236710      0.05989372     -0.02709050
+C      2.50731003     -0.04691502      0.05319421
+C      3.16125600     -1.22360444      0.18070326
+C      3.23922575      1.16973759     -0.01095845
+C      3.79149862      2.26141699     -0.07277207
+C      4.51341716      3.49901540     -0.13846521
+O      3.98747719      4.60283192     -0.24001558
+H      0.61617803      0.68400280      0.79140785
+H      0.53661493     -0.93153278      0.03141377
+H      0.69985376      0.54067457     -0.96835250
+H      2.61140031     -2.16431944      0.23192861
+H      4.24861804     -1.26373784      0.23570595
+H      5.62316309      3.38755654     -0.08915934 
+
+17
+-1752.0520350240806 11.720447 12.5675 -9.0173 -6.9614 -9.436 0.7699 -0.9197 0.031 8.8485 0.6445 3.7109381758 5.8037474642 0.202318716
+C      2.21777324     -1.07651180      2.18283101
+C      3.15784158     -1.25593784      1.02234220
+C      3.55815506     -2.46297131      0.59088345
+C      3.64786032      0.01898574      0.35845212
+C      4.65470494      0.73784924      1.26843838
+C      6.10540138      0.33500208      1.11291273
+O      4.29061228      1.57078637      2.08544262
+H      2.64101935     -0.39765414      2.93828398
+H      1.98013917     -2.03607490      2.65906596
+H      1.27700565     -0.61217812      1.84542212
+H      3.21510351     -3.37925005      1.07507737
+H      4.22710810     -2.57313797     -0.26513840
+H      2.80610470      0.70885671      0.19533560
+H      4.11726945     -0.21947596     -0.60697674
+H      6.47866948      0.69398532      0.14100402
+H      6.20299519     -0.76016626      1.10854875
+H      6.70904660      0.76972289      1.91660483 
+
+17
+-1745.0990166500212 11.872421 12.9105 -9.3652 -7.1741 -9.336 1.1953 -0.844 -0.08 8.71301 0.71762 3.668187803 6.3932389012 0.421524225
+C      3.13362425     -1.71861129     -1.22367693
+C      2.85765764     -0.86272037     -0.01438952
+C      2.23857192     -1.35094568      1.07170757
+C      3.29882526      0.58168892     -0.08417246
+C      4.82075245      0.74912061     -0.14810861
+C      5.29854488      2.17883536     -0.18234284
+O      4.57948432      3.16076302     -0.19896554
+H      2.68447566     -1.27569425     -2.12793752
+H      2.73103347     -2.73217559     -1.09918049
+H      4.21412212     -1.80871576     -1.42201722
+H      1.91412593     -2.39239663      1.12254644
+H      2.03181784     -0.72220072      1.94027308
+H      2.91676096      1.13322127      0.78685569
+H      2.85713229      1.06524912     -0.97241678
+H      5.25865655      0.25386367     -1.03475663
+H      5.31447168      0.26073610      0.71297742
+H      6.41498280      2.29101220     -0.19159567 
+
+17
+-1735.3412210656627 13.142023 13.24987 -8.7308 -6.7305 -8.485 0.3137 -1.1707 0.166 7.9376 0.38602 5.0366088864 5.0366088864 0.747400878
+C      1.17094736      0.02776359     -0.08908923
+C      2.67242706     -0.04863890      0.03679863
+C      3.28161664     -1.37734108      0.11322138
+C      2.61380752     -2.54624811      0.06427620
+C      3.40396430      1.09638969      0.07501164
+C      4.88515865      1.24445279      0.22659134
+O      5.22247771      1.96906911      1.42804487
+H      0.83102776      1.07016509     -0.12681685
+H      0.67566846     -0.46604375      0.76130398
+H      0.82346296     -0.47885668     -1.00285182
+H      4.36800717     -1.41684529      0.22473769
+H      1.53018597     -2.59607256     -0.05183448
+H      3.14374038     -3.49597596      0.13848812
+H      2.86420224      2.04864239      0.03051779
+H      5.28837308      1.86048212     -0.59249469
+H      5.41226381      0.27696860      0.19544562
+H      4.76847892      1.51932893      2.16347979 
+
+15
+-1607.9021734471958 13.199999 12.64931 -9.2116 -7.3139 -9.212 -0.7595 -2.3212 -1.228 8.61999 1.84285 3.341174728 4.393133945 0.826735285
+C      1.29596970      0.13546890      0.27535673
+C      2.77464034      0.12684418     -0.00719115
+C      3.48974332     -1.14366884      0.09984477
+C      2.92550420     -2.31856923      0.44047203
+C      3.39633159      1.29651894     -0.34945486
+C      4.81214896      1.48552876     -0.65596622
+O      5.29150688      2.57932675     -0.94668509
+H      0.87675496      1.14119587      0.15586751
+H      1.08941629     -0.20572244      1.30129920
+H      0.76123601     -0.54552390     -0.40415643
+H      4.56030472     -1.13330801     -0.11183385
+H      1.86305202     -2.41435347      0.66804533
+H      3.52414816     -3.22746395      0.50104229
+H      2.80559449      2.21513116     -0.40973067
+H      5.47166836      0.58540529     -0.61929959 
+
+17
+-1749.1108578088706 11.776316 12.70137 -9.0794 -7.0685 -9.758 0.7536 -0.9475 -0.003 9.43575 0.65352 3.7128103644 6.0779425032 0.318318746
+C      0.88945204     -0.16457532     -0.16159731
+C      2.39974649      0.07973868     -0.26803126
+C      2.97617488     -0.52629265     -1.52620855
+C      3.99883549     -1.38785199     -1.57264843
+C      2.72378832      1.59092798     -0.30417208
+C      4.06100985      1.99998558      0.27366289
+O      1.94638198      2.39889007     -0.78808574
+H      0.48794083      0.26643567      0.76633696
+H      0.67564554     -1.24176873     -0.16946782
+H      0.36480195      0.30853004     -1.00207971
+H      2.92419060     -0.36041870      0.59740443
+H      2.49436468     -0.20360089     -2.45638490
+H      4.50002194     -1.73244035     -0.66428212
+H      4.36251173     -1.78513247     -2.52136123
+H      4.01060651      1.92785461      1.37199705
+H      4.29700597      3.03236132     -0.00628954
+H      4.85711120      1.31806715     -0.05706266 
+
+21
+-2017.4761977054088 12.395842 14.11101 -10.1289 -7.7947 -12.047 0.8878 -0.0663 2.838 11.57165 -2.59733 9.9128914762 10.90766835 0.165295945
+C      3.61713108     -1.41606128      1.93773644
+C      2.95998717     -0.94595384      0.63369175
+C      1.43210660     -1.02433212      0.74202520
+C      3.39673563      0.47539173      0.23238137
+C      4.89073978      0.63942832     -0.06779568
+C      5.23619175      2.04489073     -0.55616944
+O      6.62109017      2.21000796     -0.88835235
+H      4.71320593     -1.44877655      1.86273133
+H      3.27515261     -2.42636463      2.20718980
+H      3.35510239     -0.74298208      2.77095374
+H      3.27840888     -1.63143170     -0.17422963
+H      1.06100873     -0.35478113      1.53511687
+H      1.10066291     -2.04449917      0.98635148
+H      0.94663879     -0.72785584     -0.19986052
+H      3.10087443      1.17681104      1.03496542
+H      2.82104953      0.77558882     -0.66124424
+H      5.20622941     -0.08716108     -0.83554131
+H      5.48569916      0.42348821      0.83695687
+H      4.92072371      2.79460738      0.19539497
+H      4.69020754      2.26822781     -1.48596721
+H      7.13842379      2.05733742     -0.07820484 
+
+19
+-1879.0454292330191 12.456986 13.46382 -9.0658 -6.9339 -8.793 0.874 -0.11 1.354 8.22044 -0.67909 6.0076052454 6.0076052454 0.38907604
+C      0.63285360      0.44550738     -0.13200678
+C      1.96806154     -0.25532132     -0.12474339
+C      1.88820291     -1.75756820     -0.20453327
+C      3.11604917      0.45299040     -0.07863727
+C      4.52769038     -0.06008892     -0.03947160
+C      5.16510459      0.16751134      1.34068659
+O      4.48203255     -0.53914826      2.37730427
+H      0.74287009      1.53635761     -0.07282601
+H      0.00673714      0.11368305      0.71273188
+H      0.06851213      0.20470458     -1.04840533
+H      1.26784797     -2.15565025      0.61537553
+H      2.86620579     -2.24947146     -0.15502715
+H      1.39335476     -2.06463666     -1.14111922
+H      3.02402850      1.54588793     -0.02877471
+H      5.13663487      0.47380018     -0.79047749
+H      4.58034074     -1.13151246     -0.28152385
+H      5.19758025      1.25356648      1.55974276
+H      6.19975410     -0.20577624      1.35007228
+H      3.53376891     -0.33137518      2.26788279 
+
+19
+-1877.0230215158274 12.486513 13.41967 -8.8111 -6.7107 -8.639 0.8377 -0.1844 1.316 8.04669 -0.60009 5.8141870854 5.8141870854 0.259942499
+C      0.94282687     -0.13040847      0.16671215
+C      2.44724486     -0.06850669      0.06409353
+C      3.07465709     -1.44253267      0.09059253
+C      3.14157859      1.09291204     -0.03206511
+C      2.50785820      2.46355324     -0.10050093
+C      4.64983057      1.14761749     -0.09813053
+O      5.13260169      1.55197937     -1.39903067
+H      0.46286930      0.85079289      0.24466467
+H      0.64999707     -0.71733167      1.05363136
+H      0.51343730     -0.65624663     -0.70317387
+H      2.60199518     -2.08552399     -0.67075466
+H      2.89109407     -1.93420523      1.06086190
+H      4.15485875     -1.45014710     -0.09016294
+H      1.45627442      2.45030850     -0.40829648
+H      3.06040147      3.08643541     -0.81946990
+H      2.56810301      2.97398607      0.87619600
+H      5.11732497      0.19913698      0.20897029
+H      5.02109447      1.92736891      0.58659483
+H      4.73115214      0.94252157     -2.04465215 
+
+17
+-1751.400214705862 12.329443 12.77854 -9.124 -7.1908 -9.317 0.0051 -1.5968 -0.676 9.23608 1.37584 3.4080775736 4.6973211974 0.473860489
+C      1.01703415     -0.07023397     -0.25983252
+C      2.50606498     -0.01218575     -0.05916769
+C      3.14757607     -1.37528916     -0.04918272
+C      3.15950869      1.17855012      0.09490562
+C      2.45918349      2.51772475      0.07950885
+C      4.62134891      1.23116166      0.28854793
+O      5.26250199      2.26970809      0.43161464
+H      0.54416669      0.91576013     -0.30614116
+H      0.54617108     -0.64250536      0.55697241
+H      0.77872821     -0.61487236     -1.18831233
+H      2.68183097     -1.99889114      0.73116128
+H      4.22770611     -1.37668053      0.11866694
+H      2.95164542     -1.88604860     -1.00611855
+H      1.70439322      2.59542507      0.87523978
+H      1.95621189      2.70615245     -0.88016052
+H      3.20368574      3.30857289      0.23454173
+H      5.15870240      0.25601171      0.30122632 
+
+17
+-1753.7114803904587 12.368867 12.9731 -8.9833 -7.1442 -9.672 0.1225 -1.4591 -0.516 9.01531 1.18763 3.4832874812 5.0985894878 0.507280693
+C      0.85365512      0.12971484      0.02676419
+C      2.33290825     -0.14917289     -0.04032009
+C      2.66156509     -1.61570552     -0.07044806
+C      3.19639072      0.89742956     -0.06994793
+C      4.67370031      0.98920026     -0.14403687
+C      5.57664197     -0.22962851     -0.23197588
+O      5.18065530      2.11437865     -0.13838921
+H      0.63327890      1.20391943      0.02337393
+H      0.41783980     -0.31443727      0.93675105
+H      0.33225640     -0.33766712     -0.82463135
+H      2.15976089     -2.12520598      0.76798871
+H      3.72737870     -1.84591685     -0.02305709
+H      2.25151639     -2.06901878     -0.98852955
+H      2.76150920      1.90121450     -0.03670914
+H      5.32674833     -0.85370587     -1.10168105
+H      5.48602373     -0.85449774      0.66875144
+H      6.61098089      0.12072929     -0.32106310 
+
+17
+-1746.8248200782948 12.196592 13.07027 -9.0708 -6.9491 -9.165 0.8396 -1.0038 -0.1 8.60139 0.776 3.6567314966 5.3609562624 0.239551023
+C      0.82296273      0.15807178      0.14138307
+C      2.27582544     -0.22482372      0.02983976
+C      2.54429867     -1.70333187      0.11202078
+C      3.21989364      0.72178862     -0.14625714
+C      4.71020487      0.53378792     -0.25970699
+C      5.37715367      0.93625644      1.04570487
+O      6.15868769      1.85914227      1.17479440
+H      0.68046870      1.24519195      0.08737021
+H      0.39365737     -0.20006048      1.09150636
+H      0.23205984     -0.30936312     -0.66373619
+H      1.95317187     -2.24309249     -0.64587811
+H      2.22641809     -2.09876275      1.09077721
+H      3.59943152     -1.96721891     -0.02781244
+H      2.89131550      1.76578293     -0.18006592
+H      5.13218567      1.15143655     -1.06584539
+H      4.96663471     -0.52052938     -0.45196598
+H      5.06569002      0.31755426      1.92756150 
+
+17
+-1742.2972296542862 11.757388 12.49408 -9.3466 -7.2779 -9.895 0.5945 -1.1806 -0.268 9.3743 0.86031 3.680276438 5.9382970714 0.376360274
+C      0.91281068     -0.00376793      0.14734657
+C      2.44874265     -0.03895881      0.10673744
+C      3.03604666     -0.62880316      1.39544864
+C      2.99122526     -0.77619618     -1.10477812
+C      2.30146535     -1.16040074     -2.18643529
+C      2.93683696      1.40765342     -0.09837399
+O      3.80485746      1.95898994      0.54755513
+H      0.49010125      0.52013183     -0.72254616
+H      0.56616651      0.51353216      1.05316141
+H      0.50958106     -1.02655726      0.15898180
+H      2.70514786     -0.05225378      2.27042352
+H      4.13344538     -0.59994540      1.37684747
+H      2.71231266     -1.67174151      1.51727895
+H      4.06950265     -0.96714968     -1.06741886
+H      1.22740185     -0.99605900     -2.28625144
+H      2.79817364     -1.67403770     -3.01055967
+H      2.41845213      1.93185380     -0.94391740 
+
+21
+-2016.872664349576 12.258582 13.63951 -10.0601 -7.7477 -11.939 0.8181 -0.1277 2.672 11.51626 -2.35388 9.810950187 10.6609610072 0.148352069
+C      0.91449575     -0.07721189     -0.01167997
+C      2.45381456     -0.13330087     -0.00703416
+C      2.91847710     -0.88452340      1.25404849
+C      2.94705160     -0.89726082     -1.25010863
+C      3.06261364      1.29249566      0.03992795
+C      2.73764196      2.22626980     -1.12619502
+O      3.40285509      3.49315945     -1.00884530
+H      0.52064939      0.39515267     -0.92328995
+H      0.53535647      0.48722408      0.85465764
+H      0.49250165     -1.09260919      0.04136168
+H      2.58026285     -0.37260295      2.16828963
+H      4.01644047     -0.95383342      1.29260069
+H      2.51432793     -1.90842312      1.27193802
+H      2.59846561     -0.43431153     -2.18473738
+H      2.57439546     -1.93296843     -1.23799169
+H      4.04684145     -0.93709716     -1.28063824
+H      4.16079627      1.21050791      0.10876498
+H      2.72673169      1.77719622      0.97631881
+H      1.64632546      2.37270567     -1.22280971
+H      3.09930555      1.80781427     -2.07661533
+H      3.10803004      3.90330705     -0.17672252 
+
+19
+-1886.454885570388 11.764189 12.92108 -9.504 -7.3284 -10.88 1.0401 -0.8995 0. 10.00702 0.63449 3.6557024128 8.2146552342 0.136967686
+C      0.89231772     -0.13636215     -0.08375320
+C      2.42742177     -0.24553590     -0.03276969
+C      2.84152364     -0.86725624      1.31205308
+C      2.92792563     -1.13538073     -1.18432374
+C      3.09448682      1.16029852     -0.12794016
+C      2.82056129      1.91140662     -1.40542132
+O      3.67598631      2.25936352     -2.20111819
+H      0.53379414      0.25405477     -1.04698963
+H      0.51155240      0.52010558      0.71384273
+H      0.43805177     -1.12897135      0.05596541
+H      2.49604640     -0.25370135      2.15813071
+H      3.93522408     -0.96324071      1.38632678
+H      2.40585029     -1.87194764      1.42348646
+H      2.64047316     -0.73139666     -2.16651322
+H      2.50383995     -2.14729211     -1.10043880
+H      4.02447211     -1.22492888     -1.16974359
+H      4.18524594      1.06952905     -0.01470835
+H      2.70967607      1.78061923      0.70281380
+H      1.74459053      2.15966643     -1.59924907 
+
+19
+-1876.0891944131931 12.668021 13.90782 -9.4624 -7.3212 -9.262 1.1782 -0.1296 1.237 8.70021 -0.60253 6.324401874 6.324401874 0.414695437
+C      0.87711774     -0.26374959      0.08113165
+C      2.41025006     -0.17673125     -0.01730539
+C      2.94015461     -1.09859031     -1.12997425
+C      2.84762482      1.24392746     -0.25239023
+C      3.64615608      1.96414909      0.54887273
+C      4.04859834      3.38210623      0.28032069
+O      3.62233031      4.27933104      1.32362953
+H      0.49394332      0.36240182      0.89922144
+H      0.55542443     -1.30026063      0.26168875
+H      0.40451302      0.07519776     -0.85458190
+H      2.83992647     -0.51079013      0.94345014
+H      2.54945067     -0.79063663     -2.11287514
+H      2.62769479     -2.13915028     -0.95662627
+H      4.03763455     -1.07136234     -1.17966544
+H      2.47469121      1.70844214     -1.17735606
+H      4.02542394      1.52521954      1.47986806
+H      3.66471138      3.70554723     -0.70567842
+H      5.14545488      3.48142239      0.25970678
+H      2.66464938      4.14072647      1.43740334 
+
+17
+-1749.2914568682893 12.58756 13.30803 -9.3849 -7.3678 -10.05 -0.0158 -1.7084 -0.738 9.43163 1.3504 3.4599161202 5.3166064702 0.608711083
+C      0.83189196     -0.44614473      0.00848079
+C      2.31349848     -0.02919762     -0.05408686
+C      3.09655094     -0.92542022     -1.03144515
+C      2.42842740      1.40833475     -0.46133668
+C      2.95047741      2.40995831      0.27329313
+C      2.99831362      3.78058918     -0.24477010
+O      3.45204102      4.74180685      0.36315136
+H      0.27396306      0.16796240      0.72856042
+H      0.74423215     -1.49936572      0.31228575
+H      0.35106233     -0.33848921     -0.97619999
+H      2.75136621     -0.14083112      0.95242907
+H      2.69510324     -0.83772318     -2.05302370
+H      3.01859569     -1.97977764     -0.72903901
+H      4.16057330     -0.65316538     -1.05949694
+H      2.04060605      1.65295657     -1.46147983
+H      3.35496420      2.24554968      1.27672835
+H      2.57467294      3.90100708     -1.27767059 
+
+19
+-1874.4479948972353 12.18036 13.20336 -9.5547 -7.4231 -9.389 1.2492 -0.1286 1.243 8.74109 -0.59508 6.4115268362 6.4115268362 0.371975364
+C      0.94840541     -0.34330595      0.16868458
+C      2.37339423      0.10457553     -0.16867840
+C      3.04613259     -0.91229631     -1.11436398
+C      2.46521828      1.50905809     -0.74389820
+C      1.43550205      2.16981540     -1.29771043
+C      3.81751361      2.18024842     -0.64580380
+O      4.21426040      2.41441356      0.71878975
+H      0.44789392      0.36999800      0.83904304
+H      0.96658177     -1.32372256      0.66630112
+H      0.33222903     -0.44941233     -0.73776905
+H      2.95883134      0.12024023      0.76820364
+H      2.50203523     -0.96712459     -2.06973259
+H      3.04492825     -1.91473034     -0.66162907
+H      4.09039537     -0.64894076     -1.33256046
+H      0.43432159      1.74232785     -1.36859966
+H      1.57096078      3.17235057     -1.71025040
+H      3.81232136      3.12167765     -1.22340694
+H      4.61127343      1.53946832     -1.05965956
+H      3.52276136      2.97058921      1.12121042 
+
+17
+-1747.6178178244575 11.819325 12.5426 -9.5515 -7.5082 -10.096 -0.0917 -1.8327 -0.847 9.74075 1.4157 3.4171657474 5.3138043866 0.43216673
+C      1.33116963     -0.22037960      0.65263803
+C      2.40713619      0.14638670     -0.37223238
+C      2.84624831     -1.08911035     -1.18545036
+C      2.00026685      1.26586792     -1.30575082
+C      0.73950749      1.67175002     -1.55514978
+C      3.07701662      2.00260094     -2.01614493
+O      4.27485982      1.80656237     -1.87069084
+H      1.01255523      0.65417866      1.23831655
+H      1.71860689     -0.97407028      1.35274895
+H      0.44090375     -0.65313642      0.17023573
+H      3.30113883      0.51074175      0.16371048
+H      1.99779108     -1.49920854     -1.75415403
+H      3.21661947     -1.87390200     -0.51014874
+H      3.65103935     -0.83842708     -1.88811244
+H     -0.13180391      1.22772456     -1.07328428
+H      0.55423574      2.48323413     -2.26337457
+H      2.70520865      2.79519722     -2.71642657 
+
+21
+-2016.1087980573857 12.166331 13.59143 -10.047 -7.7728 -11.957 0.8331 -0.1256 2.728 11.5045 -2.42041 9.7918935388 10.6298529198 0.135439907
+C      3.20114852     -0.75054467      1.62591211
+C      2.73275204     -0.10149498      0.31425423
+C      1.22558669     -0.31458577      0.11855806
+C      3.12530653      1.39467028      0.17714850
+C      2.54929722      2.30874658      1.26542808
+C      4.64947714      1.56255575      0.07125192
+O      5.05652815      2.88976653     -0.28959440
+H      4.28829061     -0.67045143      1.76868188
+H      2.94739776     -1.82097245      1.63267925
+H      2.71103659     -0.29416672      2.49942354
+H      3.24551536     -0.62763248     -0.51347152
+H      0.64397868      0.13329451      0.93887850
+H      0.98364735     -1.38760272      0.09411667
+H      0.87512453      0.13074451     -0.82506664
+H      2.71000105      1.72641969     -0.79660332
+H      2.89641395      2.00888274      2.26603669
+H      1.45055988      2.30207310      1.27041451
+H      2.88189871      3.34237255      1.10047208
+H      5.05624816      0.82228557     -0.64518316
+H      5.12869286      1.37759718      1.04522799
+H      4.70781821      3.06941223     -1.18042497 
+
+21
+-2020.8971668961494 12.137437 13.43102 -9.8248 -7.6905 -11.726 0.8438 -0.1069 2.64 11.26168 -2.30017 9.378487019 10.0687418782 0.103290869
+C      0.90303989     -0.06578799      0.02355658
+C      2.43362235      0.02563299     -0.06344801
+C      2.94832071     -0.77187416     -1.26915763
+C      2.98598422      1.48597850     -0.03211506
+C      2.63856486      2.28711607     -1.28853761
+C      2.51485473      2.23532786      1.22261954
+O      4.43766715      1.43620497     -0.02257470
+H      0.50239349      0.39716339      0.93559204
+H      0.58823069     -1.11985505      0.02440833
+H      0.42327118      0.41407038     -0.84363801
+H      2.84124056     -0.45138394      0.85060495
+H      2.46065306     -0.44665320     -2.20109981
+H      2.72757671     -1.84184726     -1.14249553
+H      4.03281789     -0.65312999     -1.39115938
+H      3.06410634      1.81661961     -2.18419199
+H      3.05798902      3.29914475     -1.20682855
+H      1.55122717      2.37386040     -1.41634729
+H      2.72834191      1.65356565      2.13418467
+H      1.43602860      2.44270237      1.20129323
+H      3.04709905      3.19391447      1.29300780
+H      4.70568043      0.99191018      0.80198643 
+
+19
+-1885.6587066660106 11.622885 12.87021 -9.4196 -7.2644 -10.837 1.0399 -0.8362 0.031 9.97661 0.62338 3.6724405228 8.1001045688 0.131260028
+C      1.16531150     -0.28707910      0.43994009
+C      2.50205927     -0.11140640     -0.29436138
+C      2.77519109     -1.29436408     -1.23351713
+C      2.62071111      1.26871356     -1.01657882
+C      4.04940084      1.62622583     -1.42451407
+C      1.65230316      1.37943589     -2.17753862
+O      1.95191727      1.70992092     -3.31168770
+H      0.96362750      0.55500552      1.11882378
+H      1.17998330     -1.20654645      1.04329086
+H      0.31678053     -0.37166910     -0.25511962
+H      3.29667527     -0.10138183      0.47301650
+H      2.00864104     -1.36848202     -2.02121797
+H      2.76368135     -2.23998780     -0.67226215
+H      3.75375969     -1.21315463     -1.72638117
+H      2.25671711      2.02018485     -0.28552049
+H      4.43235976      0.94211094     -2.19361193
+H      4.71873346      1.58253954     -0.55379637
+H      4.09356142      2.63786351     -1.84823245
+H      0.58520534      1.14520086     -1.92845136 
+
+17
+-1719.258991187777 12.336615 14.18688 -9.4204 -7.1276 -9.173 0.9077 -0.2219 2.375 8.72837 -1.93477 4.1488691264 10.0800865972 0.268356083
+C      0.97021889     -0.04745531      0.01953121
+C      2.51141390     -0.01619895     -0.01432078
+C      3.06677175     -0.80406359     -1.21675756
+C      3.00170902      1.36306660     -0.00921796
+C      3.38343750      2.51767639     -0.03016727
+C      3.88474763      3.88423796     -0.03388482
+O      2.85117667      4.78492607     -0.47594927
+H      0.58369969      0.48712183      0.89704490
+H      0.61401654     -1.08705224      0.05697175
+H      0.55651139      0.43001364     -0.88006766
+H      2.87881645     -0.50100612      0.90900202
+H      2.72051291     -0.35883872     -2.16053249
+H      2.72329317     -1.84808730     -1.17886819
+H      4.16487826     -0.79919190     -1.21966385
+H      4.76671951      3.94422635     -0.70024948
+H      4.22339456      4.14852589      0.98639630
+H      3.23263215      5.68001939     -0.46666686 
+
+15
+-1589.167739804929 12.131306 13.41533 -9.8263 -7.8271 -10.125 -0.1037 -1.924 -0.665 9.72011 1.2749 3.4576967708 10.6580721334 0.410670858
+C      0.96477070     -0.04174974      0.01572798
+C      2.50511885     -0.01086621     -0.01748495
+C      3.07108978     -0.78509094     -1.22682907
+C      3.01068203      1.35729496      0.00303447
+C      3.39817022      2.51580975      0.00674454
+C      3.92070606      3.85432066      0.01017928
+O      3.23274396      4.86854523      0.01912239
+H      0.57677757      0.49656279      0.88980706
+H      0.61145124     -1.08147127      0.05931597
+H      0.55130264      0.42847947     -0.88734301
+H      2.88204874     -0.49848376      0.90113548
+H      2.72763561     -0.33319317     -2.16786149
+H      2.72245853     -1.82664378     -1.19556802
+H      4.16866742     -0.78315262     -1.22326787
+H      5.03620665      3.91250865      0.00374723 
+
+21
+-2020.4700584208183 12.339632 13.90375 -9.9835 -7.7932 -11.89 0.8543 -0.0887 2.854 11.41554 -2.58615 9.7040618564 10.3856624928 0.094508551
+C      1.87159040     -0.93792192      0.47937116
+C      3.32139241     -0.46099142      0.33038011
+C      4.06042895     -1.29873453     -0.72085810
+C      3.36100708      1.04274185      0.00683626
+C      4.74460586      1.70110638      0.08353926
+C      4.69910581      3.17714357     -0.30648173
+O      5.34644432      1.52611768      1.38215733
+H      1.34150767     -0.37599534      1.26332464
+H      1.82963889     -2.00521647      0.74352517
+H      1.31305628     -0.80634774     -0.46200570
+H      3.83343147     -0.60035457      1.29827864
+H      3.60433764     -1.17047162     -1.71667041
+H      4.01521797     -2.36888573     -0.47000173
+H      5.12236952     -1.02535595     -0.79632304
+H      2.68932130      1.58134776      0.70251215
+H      2.94610519      1.20852574     -1.00455706
+H      5.43803820      1.17813065     -0.59532067
+H      4.01575020      3.73513553      0.35513239
+H      4.34034973      3.30415125     -1.33866282
+H      5.69880655      3.62520636     -0.22694220
+H      4.80109457      2.01989851      2.02202633 
+
+19
+-1894.7593056831472 11.790164 13.27695 -9.2258 -7.2109 -10.607 1.2519 -0.5472 0.256 9.62273 0.47896 3.7340739634 8.0623012374 0.165082508
+C      0.88331371     -0.02917792      0.03953330
+C      2.39019306     -0.16178351     -0.21103983
+C      2.66778050     -0.98178426     -1.47713067
+C      3.04786271      1.22188090     -0.28425904
+C      4.56804708      1.24049212     -0.16731124
+C      5.23298528      2.59640458     -0.32653940
+O      5.22177781      0.23524206      0.07403395
+H      0.67316981      0.52418029      0.96749890
+H      0.41140014     -1.01926493      0.12467565
+H      0.38779054      0.50333131     -0.78878889
+H      2.84492883     -0.69297455      0.64242293
+H      2.25471332     -0.47755676     -2.36673668
+H      2.19754617     -1.97402719     -1.41062529
+H      3.74519834     -1.12849443     -1.62856930
+H      2.66682289      1.87575198      0.52299153
+H      2.76475811      1.74023556     -1.21958954
+H      4.85672868      3.12685002     -1.21305419
+H      6.31995911      2.47385968     -0.38940923
+H      4.99420390      3.22468505      0.54622705 
+
+19
+-1887.302901179051 11.85821 13.32784 -9.6321 -7.4313 -10.981 1.3212 -0.7493 -0.002 10.07787 0.62814 3.6789993822 8.1971732082 0.147530023
+C      0.86970989     -0.47705034      0.46073151
+C      2.33036098     -0.36802546      0.00598619
+C      2.74337386     -1.61982049     -0.77946478
+C      2.54309803      0.92863221     -0.79470930
+C      3.99668324      1.21623824     -1.15993298
+C      4.23582939      2.53478659     -1.85128342
+O      3.37635045      3.35066957     -2.13043253
+H      0.56712791      0.39812703      1.05454188
+H      0.70969369     -1.37546105      1.07500282
+H      0.19419360     -0.54178176     -0.40753783
+H      2.96300473     -0.31019368      0.91254342
+H      2.15773034     -1.70634176     -1.70934568
+H      2.56459901     -2.53017170     -0.18862181
+H      3.80853620     -1.61189621     -1.05227450
+H      2.15379716      1.78170902     -0.21622732
+H      1.93723652      0.89528706     -1.71653184
+H      4.42713062      0.43927057     -1.81884586
+H      4.65030089      1.20609046     -0.26555171
+H      5.31060349      2.73218171     -2.10894623 
+
+15
+-1591.6977972612044 11.205354 12.26238 -9.3055 -7.2591 -10.051 0.9404 -0.8178 0.169 9.60271 0.5957 3.7346195018 10.6288486332 0.359905767
+C      0.95940087     -0.19730223      0.07506296
+C      2.49927171     -0.03964780     -0.00016399
+C      3.05605617     -0.69896106     -1.17478135
+C      3.51584717     -1.25112072     -2.15402763
+C      2.83442335      1.47416582      0.10297707
+C      3.05172154      2.24283774     -1.17583072
+O      2.87493508      1.99569742      1.20482070
+H      0.58506983      0.27679744      0.99128857
+H      0.69328585     -1.26172092      0.08695238
+H      0.47363730      0.26625311     -0.79452654
+H      2.93386365     -0.49131377      0.90693760
+H      3.92098522     -1.74315421     -3.01465565
+H      2.27570526      2.00330837     -1.91732278
+H      4.00750800      1.93191516     -1.62404470
+H      3.07180901      3.31712565     -0.96545592 
+
+17
+-1741.6075715047825 11.769725 12.7852 -9.3399 -7.1672 -9.848 0.9609 -0.9051 -0.011 9.92596 0.66774 3.6578101748 6.639698272 0.42694519
+C      0.91301579      0.52103064      0.52597762
+C      2.33678633      0.59724873     -0.01900422
+C      2.48886730     -0.11034521     -1.39426596
+C      3.90558376     -0.29343098     -1.85761816
+C      4.39582581      0.12091460     -3.03166360
+C      2.85143150      2.02243033     -0.10350446
+O      2.24064101      3.00803682      0.26989367
+H      0.82842286      1.05380282      1.48163797
+H      0.61083386     -0.52453620      0.67626831
+H      0.20297169      0.98932311     -0.17087352
+H      3.03184990      0.08878740      0.68097237
+H      1.90618898      0.43387090     -2.15603412
+H      2.01862564     -1.10422965     -1.29191741
+H      4.56767282     -0.83221206     -1.16832332
+H      3.77423270      0.66221062     -3.74963850
+H      5.43187727     -0.06768012     -3.31594489
+H      3.87399278      2.12058823     -0.54929178 
+
+15
+-1586.645761053444 11.268369 12.44702 -9.7238 -7.5278 -9.987 0.8538 -1.0756 -0.102 10.07481 0.77704 3.676308886 10.7069226174 0.714306244
+C      0.96775722      0.42698481      0.28186244
+C      2.43667566      0.32085929     -0.16016651
+C      2.60980264     -0.21357383     -1.59486965
+C      2.14279919     -1.58444715     -1.75070513
+C      1.75602002     -2.73015547     -1.86081967
+C      3.12534981      1.65860000      0.02207630
+O      3.74888801      2.25666769     -0.83439435
+H      0.88653663      0.80503463      1.31094219
+H      0.49018610     -0.56041901      0.24028561
+H      0.40951751      1.10703722     -0.37873321
+H      2.94810696     -0.36672931      0.54194346
+H      3.67108836     -0.14408821     -1.88094532
+H      2.06962259      0.44667834     -2.29394220
+H      1.41873417     -3.74036688     -1.97170414
+H      3.01561514      2.08775788      1.05346019 
+
+17
+-1723.0645920895815 12.077431 13.86482 -9.4436 -7.144 -9.319 0.8136 -0.1021 2.381 8.88813 -1.91381 4.1362845474 9.945474997 0.767229103
+C      0.94607200     -0.02120988      0.00885665
+C      2.40210714     -0.00904455      0.00746810
+C      3.61867316     -0.00921232     -0.00017001
+C      5.07949108      0.00643504     -0.00242943
+C      5.69091162      1.42331854      0.01343403
+C      5.35784430      2.22894454     -1.24066540
+O      5.96230704      3.52871188     -1.24499698
+H      0.53818684      1.00094923      0.01311838
+H      0.55168726     -0.54086130      0.89508739
+H      0.55189714     -0.53308094     -0.88202345
+H      5.44933992     -0.54027217     -0.88816951
+H      5.44875240     -0.55332460      0.87284814
+H      6.78516437      1.34359298      0.10635567
+H      5.32495265      1.96108329      0.90454704
+H      4.26213104      2.29688753     -1.36516649
+H      5.75811693      1.72016126     -2.13204166
+H      5.54708510      4.04833147     -0.53463246 
+
+15
+-1583.4175453250132 13.370656 14.36752 -8.7895 -6.7269 -8.428 0.4989 -1.0155 0.492 8.01965 0.10713 3.8487486148 5.7713871182 0.431331881
+C      0.92422846     -0.05601777      0.02108273
+C      2.37548786      0.01032118      0.00652981
+C      3.59391234      0.07696239     -0.00871745
+C      5.00973978      0.09799109     -0.02456569
+C      5.77273027      1.20187064     -0.18970196
+C      7.26747729      1.17067435     -0.21678584
+O      7.79901215      1.67256152     -1.45700714
+H      0.47875883      0.94943932      0.04599459
+H      0.56141806     -0.60807317      0.90136837
+H      0.54254156     -0.57055564     -0.87417971
+H      5.51156152     -0.86787387      0.11788989
+H      5.29668890      2.17529882     -0.34096111
+H      7.63237501      0.14725137     -0.00868459
+H      7.68535529      1.83682126      0.55477292
+H      7.37540268      1.16422851     -2.17243483 
+
+13
+-1456.1709043676435 13.800724 13.73973 -9.2455 -7.3382 -9.125 -0.7699 -2.3807 -1.158 8.62859 1.74266 3.3214733526 4.0295078042 0.44636745
+C      0.94483208     -0.04843625     -0.00195937
+C      2.39347257      0.01495013      0.00013233
+C      3.61336728      0.07676068      0.00251622
+C      5.01954102      0.10139384      0.00343898
+C      5.79346492      1.21833842      0.04363347
+C      7.24994222      1.10182429      0.03984581
+O      8.02566571      2.05004641      0.07453521
+H      0.49892420      0.95635875      0.01012104
+H      0.57724821     -0.59645873      0.87880514
+H      0.57820244     -0.57542572     -0.89577748
+H      5.52720621     -0.87185604     -0.03155857
+H      5.36098471      2.22027881      0.07978102
+H      7.63094843      0.04672540      0.00152619 
+
+15
+-1582.6152151252459 12.592525 13.54046 -8.9824 -6.8952 -8.62 0.5926 -0.939 0.541 8.13048 0.04849 3.8298407498 5.891566748 0.463014901
+C      1.01001790      0.09090853      0.08490889
+C      2.46049605      0.01112735      0.03759756
+C      3.67472836     -0.10530327     -0.01340327
+C      5.10025192     -0.10923221     -0.03388934
+C      5.83024262     -1.23300136     -0.18527721
+C      5.74419716      1.25881960      0.12689568
+O      5.32580940      1.93812266      1.31219474
+H      0.66657998      1.13575568      0.08608265
+H      0.61624035     -0.39472070      0.99068215
+H      0.55969864     -0.40962335     -0.78547573
+H      5.35924841     -2.20596304     -0.32377237
+H      6.92023313     -1.19068502     -0.17671026
+H      5.51881558      1.86513107     -0.77207324
+H      6.83464233      1.14830608      0.20183140
+H      4.34995815      1.91313798      1.32108835 
+
+13
+-1452.6337527381145 12.332984 13.00197 -9.2339 -7.1866 -8.95 -0.4002 -2.0805 -0.948 8.50186 1.57525 3.4026965812 6.8347406486 0.365760967
+C      0.95898389      0.04828362      0.00097340
+C      2.40852594     -0.01976247     -0.00072102
+C      3.62518390     -0.07981683     -0.00196694
+C      5.04393473     -0.06746431     -0.00151609
+C      5.82276166     -1.17673134     -0.02472583
+C      5.75106262      1.25378197      0.02643336
+O      5.21220393      2.34371108      0.04949794
+H      0.61578305      1.09288651      0.01401616
+H      0.54099806     -0.45851020      0.88364680
+H      0.53969208     -0.43692862     -0.89311664
+H      5.40040069     -2.18039041     -0.04604953
+H      6.91006223     -1.07751572     -0.02256816
+H      6.86701722      1.15025673      0.02440655 
+
+17
+-1723.618205367799 12.197186 14.04961 -9.403 -7.1531 -9.294 0.8357 -0.133 2.291 8.84721 -1.86589 4.1326517576 10.2108422328 0.364095812
+C      0.96110835      0.03287191     -0.00360474
+C      2.41676107      0.00254593      0.00221772
+C      3.63288121     -0.03827089      0.01038559
+C      5.09539773     -0.04544443     -0.00610177
+C      5.65858360     -0.81811746     -1.21212123
+C      5.62412810      1.40995686      0.03516753
+O      7.04891936      1.48539056      0.12699486
+H      0.58405706      1.06659528      0.00066902
+H      0.54809469     -0.47667720      0.87992286
+H      0.55642930     -0.46600887     -0.89699878
+H      5.44503268     -0.54352963      0.91963530
+H      5.28715858     -0.38262413     -2.15105609
+H      5.35177482     -1.87165896     -1.17908250
+H      6.75529429     -0.76347653     -1.21190396
+H      5.13739835      1.95219204      0.86394003
+H      5.35587440      1.91815157     -0.90330562
+H      7.30465640      1.21816396      1.02710178 
+
+17
+-1726.3023590634784 12.154309 13.90819 -9.5808 -7.3192 -9.279 0.7552 -0.1538 2.189 8.83437 -1.80124 4.131151527 9.9814433356 0.298903903
+C      0.95750582      0.00071192     -0.01281258
+C      2.41269791     -0.00991036     -0.01109495
+C      3.62938967     -0.01806641      0.00781887
+C      5.10125850     -0.00625210     -0.00143450
+C      5.65926160     -0.64977657      1.27492131
+C      5.62815258     -0.72542881     -1.25747847
+O      5.58855284      1.36205552      0.02094911
+H      0.57045596      1.03051635      0.00878368
+H      0.55686094     -0.52379860      0.86751621
+H      0.55368885     -0.49066472     -0.91055885
+H      5.27989148     -0.12143265      2.15821535
+H      6.75602741     -0.58331257      1.26403001
+H      5.36313578     -1.70474890      1.33437199
+H      5.24590841     -0.24133192     -2.16713445
+H      5.30848611     -1.77677489     -1.27067654
+H      6.72592251     -0.68080791     -1.26614827
+H      5.09942361      1.84856263     -0.66663790 
+
+15
+-1591.6164896376927 11.77484 13.37189 -9.3741 -7.2115 -9.587 0.8716 -1.0173 -0.029 9.1633 0.69172 3.6787390116 10.3711933266 0.34075429
+C      0.97592014      0.03254241      0.01865741
+C      2.43023957     -0.00263159      0.00617958
+C      3.64600887     -0.05619129      0.00844372
+C      5.10554331     -0.04253876     -0.00856412
+C      5.69059882     -0.79505937     -1.22663294
+C      5.58260140      1.41423110     -0.05655194
+O      6.40015516      1.89283379      0.70177312
+H      0.60596835      1.06834158      0.04028991
+H      0.57617857     -0.48352235      0.90406648
+H      0.55723751     -0.45519630     -0.87404122
+H      5.50502620     -0.47878187      0.92146229
+H      5.36328073     -0.32940468     -2.16684420
+H      5.34179946     -1.83564901     -1.22327340
+H      6.78824426     -0.78776031     -1.18805202
+H      5.11667764      2.01723665     -0.87811267 
+
+13
+-1430.2337474232268 13.600813 14.87117 -9.0292 -6.8948 -8.471 0.6927 -0.8665 0.976 8.11898 -0.5181 3.1034439716 7.7148676682 2.039643966
+C      0.95886188     -0.00347019     -0.00227743
+C      2.40770233     -0.00923511     -0.00322962
+C      3.63142939     -0.01185315     -0.00100169
+C      4.98954734     -0.01279573      0.00284273
+C      6.21458055     -0.01930788      0.01463564
+C      7.66925985      0.01426987     -0.01515943
+O      8.21790174      1.34142854     -0.04058758
+H      0.57032955      1.02618884      0.01514703
+H      0.56140390     -0.52680836      0.88060245
+H      0.55768898     -0.49959718     -0.89902447
+H      8.02893467     -0.58027977     -0.87745642
+H      8.07784709     -0.45695871      0.89288254
+H      7.74048272      1.83738884     -0.72995376 
+
+11
+-1297.426385309214 13.875075 14.21793 -9.6088 -7.5464 -9.09 -0.8871 -2.5524 -1.047 8.66289 1.81212 2.6321979828 7.7134294306 0.66803113
+C      1.04881941     -0.00827231      0.00006637
+C      2.49458006      0.00343683      0.00008551
+C      3.71930586      0.01782773      0.00009484
+C      5.07058621      0.03536744      0.00010566
+C      6.29957390      0.07415080      0.00011373
+C      7.73190214      0.04506210      0.00012383
+O      8.44471861      1.04359141     -0.00022070
+H      0.64303388      1.01411267      0.01169424
+H      0.66305892     -0.54029818      0.88271421
+H      0.66315683     -0.51985623     -0.89463665
+H      8.16862418     -0.98253226     -0.00014105 
+
+17
+-1726.432323642959 12.135953 13.89505 -9.3835 -7.1373 -9.321 0.8288 -0.1026 2.295 8.89363 -1.8804 4.1387642674 10.0678243818 0.475988737
+C      0.96677124      0.01480666      0.01119562
+C      2.42297684      0.00736797      0.00951896
+C      3.63942707     -0.01546672      0.00673223
+C      5.09721320     -0.01363227     -0.00928711
+C      5.72482518      1.40260641     -0.00737061
+C      5.40627625      2.18710614      1.25940827
+O      7.13932059      1.31153343     -0.23641505
+H      0.57231353      1.04213967      0.02644104
+H      0.56648386     -0.50896671      0.89245071
+H      0.56510858     -0.48257620     -0.88458834
+H      5.46652824     -0.53882348     -0.90504417
+H      5.48213443     -0.57209720      0.86441196
+H      5.33845471      1.94577035     -0.88462073
+H      5.81178064      1.67110979      2.14634555
+H      4.32027664      2.28245501      1.39739492
+H      5.84890809      3.19071248      1.20837337
+H      7.54945092      0.99020467      0.58727337 
+
+15
+-1598.8517540829705 11.57785 13.14894 -9.1521 -7.0476 -9.599 1.1381 -0.6598 0.212 9.56187 0.55196 3.7198527692 10.1851027392 0.564703288
+C      1.00477698     -0.00392253     -0.13763358
+C      2.45768248      0.00161807     -0.05178262
+C      3.67166518      0.00152303      0.02345679
+C      5.12289612      0.01887052      0.12409609
+C      5.83206925      1.33566969     -0.26844200
+C      5.14974390      2.22203460     -1.28044551
+O      6.91900890      1.59870820      0.21861079
+H      0.60557401      1.01932805     -0.20568297
+H      0.55804504     -0.47699647      0.74958417
+H      0.65896196     -0.55841132     -1.02282208
+H      5.55614365     -0.75071484     -0.54241945
+H      5.46305918     -0.23632082      1.13932451
+H      4.82887083      1.63624033     -2.15454967
+H      5.82210838      3.03200499     -1.58075108
+H      4.23054414      2.63694851     -0.83957338 
+
+15
+-1592.9754537661072 11.726879 13.63633 -9.448 -7.1926 -9.389 1.1332 -0.9184 -0.089 8.9621 0.74082 3.658268923 10.077334108 0.806416286
+C      0.95199398     -0.00458013      0.00017774
+C      2.40788210     -0.00780845      0.00030617
+C      3.62401484     -0.01912864      0.00040553
+C      5.08221368     -0.01285953      0.00015047
+C      5.66663707      1.40615057     -0.00381486
+C      7.17222030      1.45557207     -0.00482084
+O      7.90521769      0.48346136     -0.00067937
+H      0.55596414      1.02198072      0.01180082
+H      0.55250469     -0.52640452      0.88268997
+H      0.55265748     -0.50627918     -0.89399643
+H      5.46449303     -0.56238705     -0.87525526
+H      5.46492298     -0.55775213      0.87824168
+H      5.31600156      1.98578038      0.86897024
+H      5.31446843      1.98171951     -0.87860673
+H      7.60019800      2.49249503     -0.01005914 
+
+19
+-1876.9261457244215 12.5152 13.7034 -9.4021 -7.2361 -9.111 1.1578 -0.1133 1.297 8.57039 -0.66465 6.2496631132 6.2496631132 0.407638955
+C      2.38706545     -1.10780120     -1.09587968
+C      3.14877372     -0.48974267      0.08666386
+C      3.13639188      1.01131246      0.07076162
+C      4.22263634      1.80015134      0.04028307
+C      4.19989752      3.29970649     -0.02400414
+C      4.62454582      3.80770358     -1.41169584
+O      3.73018331      3.38641107     -2.44166509
+H      2.38562845     -2.20535640     -1.03383338
+H      2.84574928     -0.82244650     -2.05405742
+H      1.33946548     -0.77146804     -1.11343251
+H      4.18988928     -0.85049979      0.09587113
+H      2.68647810     -0.84178695      1.02611466
+H      2.14620428      1.48661331      0.09392167
+H      5.21367551      1.32679090      0.01573118
+H      4.88866424      3.72570086      0.72611792
+H      3.18880146      3.67613260      0.19827738
+H      5.65977835      3.47679825     -1.62788667
+H      4.61473858      4.90742105     -1.43151468
+H      3.57415295      2.43282967     -2.29825307 
+
+19
+-1877.340720762605 12.559698 13.6939 -9.1231 -7.0062 -8.924 0.8485 -0.0702 1.305 8.34708 -0.62777 6.0745204896 6.0745204896 0.391054112
+C      2.01827798     -0.66386538      1.23678266
+C      2.79062147     -0.28769198     -0.03811299
+C      3.28094823      1.13081395     -0.01509699
+C      4.54907437      1.58131217     -0.09498677
+C      5.77740874      0.72071894     -0.22881268
+C      4.81049780      3.06815215     -0.04291798
+O      5.57091020      3.46177196      1.11648517
+H      1.62141392     -1.68717350      1.17240398
+H      1.16879704      0.01615638      1.40097779
+H      2.66829455     -0.60432405      2.12185317
+H      2.11996528     -0.41425745     -0.90697350
+H      3.62302277     -0.99016669     -0.19052242
+H      2.48991132      1.88689692      0.08237524
+H      5.57940401     -0.34409217     -0.05807463
+H      6.54763783      1.05085695      0.48381858
+H      6.21415276      0.82746424     -1.23625652
+H      3.85584664      3.62210918     -0.09514688
+H      5.42989939      3.38321047     -0.89864486
+H      5.06068570      3.17362787      1.89513963 
+
+17
+-1751.879905389418 12.421524 13.11551 -9.322 -7.3303 -9.629 0.1011 -1.5489 -0.687 9.47549 1.32268 3.4683347696 4.9969705622 0.489374728
+C      2.84482214     -0.97500704      1.36063472
+C      3.63434686     -0.44608913      0.15087868
+C      3.64643896      1.04695975      0.08959835
+C      4.70881647      1.88691315      0.06515380
+C      6.16034519      1.50851672      0.08645720
+C      4.39585526      3.33034112      0.00851362
+O      5.23151870      4.22438547     -0.02306851
+H      2.80994924     -2.07311939      1.35113293
+H      1.80924558     -0.60419974      1.35366477
+H      3.30948711     -0.65517496      2.30386801
+H      3.15770668     -0.82332082     -0.77207468
+H      4.65638898     -0.85096887      0.16111394
+H      2.65391476      1.51847533      0.07191933
+H      6.31405862      0.42552162      0.14662821
+H      6.66401907      1.98800184      0.93853177
+H      6.66400536      1.88729996     -0.81502218
+H      3.29908103      3.56585498     -0.00481999 
+
+19
+-1877.4444200312264 12.546661 13.83751 -9.3511 -7.2192 -9.283 0.9851 -0.2247 1.246 8.72973 -0.6076 6.3363169286 6.3363169286 0.398479637
+C      2.39358634     -0.90016312     -1.52532000
+C      3.07965423     -0.40939163     -0.24097289
+C      3.05917175      1.08611945     -0.10835513
+C      4.14650875      1.86549975     -0.01535276
+C      4.17661888      3.36406680      0.14122215
+C      2.81580644      4.05522845      0.16217562
+O      4.95611405      3.71050750      1.31273852
+H      2.39853711     -1.99802047     -1.58242726
+H      2.90404593     -0.50809151     -2.41693864
+H      1.34547139     -0.56695128     -1.56694145
+H      4.12038890     -0.76938474     -0.20553730
+H      2.56321986     -0.85508421      0.62837114
+H      2.06449538      1.54889940     -0.11138424
+H      5.13944744      1.39899431     -0.01974858
+H      4.77055802      3.78536290     -0.68960070
+H      2.18529735      3.67305093      0.97965719
+H      2.27787442      3.90905525     -0.78593597
+H      2.96036160      5.13221601      0.31686201
+H      4.56831216      3.21745621      2.05946829 
+
+17
+-1753.9412090821068 12.347006 13.41398 -9.0777 -7.1655 -9.929 0.0694 -1.5417 -0.384 9.20794 1.05288 3.5624153464 5.314783876 0.388272248
+C      1.88096892     -0.92430726     -0.90248502
+C      2.98777021     -0.44623525      0.05213585
+C      3.04943207      1.04204511      0.15973974
+C      4.12269213      1.80920891     -0.10275968
+C      4.07993359      3.29287290      0.03327837
+C      5.36504804      4.02512725     -0.30470591
+O      3.07131620      3.89424925      0.39603718
+H      1.83518442     -2.02195877     -0.92455348
+H      2.06313621     -0.56812761     -1.92632414
+H      0.89570555     -0.55047629     -0.58723375
+H      3.96453742     -0.84575795     -0.26287227
+H      2.78505507     -0.85796207      1.05756150
+H      2.13548856      1.56230855      0.47381276
+H      5.06476773      1.35365650     -0.42592291
+H      5.66150487      3.81278752     -1.34382813
+H      6.18511668      3.66785990      0.33771796
+H      5.23100232      5.10321931     -0.16887807 
+
+17
+-1744.453213874759 12.245291 13.34038 -9.318 -7.1659 -9.477 0.7619 -1.1075 -0.152 8.95311 0.79074 3.6581573356 5.6213888554 0.24065776
+C      1.85512383     -0.70392494      1.12834005
+C      2.85088152     -0.31514659      0.02471076
+C      3.02739419      1.16931091     -0.10165706
+C      4.18952800      1.82577857      0.02944549
+C      4.35333308      3.31993737     -0.06267251
+C      4.61960714      3.90060123      1.31702540
+O      5.63929984      4.47426444      1.64772631
+H      1.72543807     -1.79445911      1.17403757
+H      0.86632183     -0.25619576      0.94758884
+H      2.20400398     -0.35910384      2.11231124
+H      2.48670658     -0.71567600     -0.93810378
+H      3.82766441     -0.78860505      0.21234007
+H      2.11856042      1.74590424     -0.32129078
+H      5.10088878      1.25890665      0.25299020
+H      3.42106990      3.77343433     -0.44030071
+H      5.18580481      3.60369576     -0.72308809
+H      3.78639362      3.73610779      2.04924697 
+
+19
+-1876.530847697566 12.096511 13.1775 -9.4686 -7.302 -9.242 1.0447 -0.1868 1.28 8.59809 -0.63212 6.318078588 6.318078588 0.379686849
+C      0.95173789     -0.11861899     -0.06803190
+C      2.45226990      0.15532661     -0.00331128
+C      2.87895026      1.60532449      0.04942717
+C      2.01257819      2.63354910      0.09851498
+C      4.36950154      1.85192751     -0.01580017
+C      4.88272129      1.84934954     -1.46828920
+O      4.30528220      2.88663049     -2.25667338
+H      0.75918426     -1.19988605     -0.09656431
+H      0.49917265      0.32543543     -0.96667884
+H      0.42961618      0.28912950      0.80969027
+H      2.95364361     -0.32475503     -0.86334639
+H      2.88262723     -0.34642838      0.88295946
+H      0.93217406      2.48371825      0.10018275
+H      2.36834832      3.66360306      0.16729968
+H      4.91325194      1.07354426      0.54598523
+H      4.61410660      2.82527768      0.43540494
+H      4.70530693      0.85778067     -1.92945287
+H      5.96801359      2.02807223     -1.47621374
+H      3.34201336      2.85829962     -2.09034239 
+
+19
+-1876.6754663335014 12.123915 13.34701 -9.4913 -7.3341 -9.43 1.0305 -0.1476 1.259 8.78766 -0.60772 6.4578976002 6.4578976002 0.377206784
+C      0.97979956     -0.13606579      0.08012463
+C      2.47591225      0.16590863      0.05703953
+C      2.87525368      1.62483101      0.02524561
+C      1.99524399      2.63280168     -0.08025331
+C      4.37671029      1.85540489      0.14644775
+C      4.86323807      3.27441444     -0.12632580
+O      4.84209506      1.39185703      1.43890587
+H      0.81000665     -1.22138897      0.10995236
+H      0.46997456      0.25433677     -0.81306853
+H      0.49379978      0.30197770      0.96451492
+H      2.93697236     -0.32317440     -0.82132349
+H      2.96966777     -0.29832235      0.92711744
+H      0.92132898      2.45180554     -0.13787250
+H      2.31349907      3.67482695     -0.12026237
+H      4.87907258      1.17271208     -0.56184835
+H      4.43016821      3.99392730      0.58529946
+H      4.60298570      3.59796127     -1.14412768
+H      5.95508745      3.30740756     -0.01718999
+H      4.37406401      1.92508864      2.10814444 
+
+17
+-1752.4535762442133 11.769989 12.6453 -9.2579 -7.3261 -10.02 -0.0456 -1.7182 -0.658 9.44021 1.24615 3.4382061716 5.344044572 0.384869023
+C      2.98118379     -0.86201232     -0.96613830
+C      2.59120765      0.06698277      0.19560189
+C      2.98276493      1.50424163     -0.04617856
+C      2.08839266      2.44899329     -0.39582015
+C      4.43732538      1.84173856      0.12717497
+C      4.92505012      3.24739781     -0.18161881
+O      5.22333734      0.98433350      0.52527685
+H      2.67806263     -1.89595803     -0.74876516
+H      4.06779064     -0.85460356     -1.12439843
+H      2.49097717     -0.55230346     -1.90074420
+H      3.08979277     -0.28307460      1.11219318
+H      1.50488980      0.01750287      0.36518489
+H      1.02797506      2.20888692     -0.49984700
+H      2.37486247      3.48364379     -0.58481514
+H      4.70008788      3.52860036     -1.22018900
+H      6.00772988      3.28018121     -0.02084859
+H      4.44041981      3.98515924      0.47423156 
+
+17
+-1743.7669450361682 11.841005 12.68838 -9.3742 -7.2386 -9.559 0.6965 -1.1604 -0.237 8.92645 0.83916 3.6669107472 5.6259639388 0.20452222
+C      2.32182668     -0.41744118     -1.48610541
+C      2.54218900      0.07458417     -0.04605931
+C      2.91671062      1.53667801      0.03844961
+C      2.07640341      2.46976020      0.51429009
+C      4.32666149      1.89819706     -0.39376850
+C      5.28768548      1.57223314      0.73813678
+O      6.11605715      0.68227751      0.71358794
+H      2.05615331     -1.48368173     -1.49187128
+H      3.22514725     -0.30076596     -2.10148343
+H      1.50804382      0.14101533     -1.97020297
+H      3.33690774     -0.53249732      0.42115507
+H      1.62693181     -0.09325692      0.54188035
+H      1.07791845      2.20316932      0.86671468
+H      2.35195372      3.52543017      0.55562806
+H      4.39080228      2.97995888     -0.59157560
+H      4.64172595      1.34431087     -1.28912858
+H      5.15427184      2.21216844      1.64879250 
+
+17
+-1748.7163132409291 12.136782 12.87285 -9.2924 -7.2843 -9.602 -0.068 -1.7408 -0.785 9.48882 1.42214 3.3833423666 4.885482351 0.444845618
+C      1.46160772      0.64213443     -1.53571950
+C      1.82144725      1.14002681     -0.12650617
+C      2.90370588      2.19416381     -0.13296213
+C      2.50154160      3.55944386     -0.52498216
+O      1.35005891      3.88190884     -0.80171205
+C      4.18612371      1.90333759      0.20349367
+C      5.39023180      2.79003410      0.23429270
+H      0.66856267     -0.11753233     -1.48541756
+H      2.33453526      0.19119609     -2.03014946
+H      1.09863057      1.46851554     -2.16101893
+H      2.14740378      0.29391400      0.49782301
+H      0.92015514      1.56740279      0.33978130
+H      3.31180709      4.32587395     -0.55433280
+H      4.38698007      0.86584702      0.50090584
+H      5.19944801      3.82442655     -0.06937620
+H      6.17380659      2.37888268     -0.42240675
+H      5.82120395      2.80416427      1.24831718 
+
+17
+-1741.6745712884083 11.813006 12.75553 -9.4372 -7.3184 -9.949 0.6327 -1.1936 -0.242 9.42761 0.85594 3.6572646364 5.9764475636 0.283884953
+C      2.54947508     -1.05314328      1.50283579
+C      3.63517712     -0.31570762      0.71884449
+C      3.34903001      1.18335916      0.55836003
+C      3.39993391      1.95063146      1.85775477
+C      2.48070975      2.82703253      2.27922285
+C      4.31439490      1.86529198     -0.41385523
+O      5.27338018      1.33414589     -0.93824700
+H      2.79447304     -2.11958494      1.60420393
+H      1.57482997     -0.98306532      0.99564022
+H      2.42598042     -0.63838854      2.51376630
+H      3.75261687     -0.75642118     -0.28282333
+H      4.61327915     -0.43709232      1.21173530
+H      2.34462315      1.33783971      0.11542622
+H      4.29529307      1.77508268      2.46588508
+H      1.57360095      3.02760800      1.70370819
+H      2.60017880      3.36539993      3.22048958
+H      4.07029365      2.94183185     -0.60772719 
+
+21
+-2015.386102945999 12.18676 13.68696 -10.0706 -7.7276 -11.904 0.8553 -0.1128 2.818 11.54083 -2.52643 9.8214765984 10.7541364862 0.12694176
+C      2.97430952     -1.02331057     -0.87386300
+C      2.47111160     -0.08325073      0.22361787
+C      3.01015614      1.35946713      0.14594449
+C      2.35181731      2.23846324      1.21910584
+C      4.55211700      1.46013355      0.18100232
+C      5.23336314      0.91590828      1.43684791
+O      6.65332027      1.12681818      1.42471577
+H      2.48213254     -2.00413329     -0.80698431
+H      4.05826935     -1.19792988     -0.80584257
+H      2.76569193     -0.61461458     -1.87493588
+H      2.70165346     -0.51174751      1.21432520
+H      1.37019367     -0.03221921      0.17308137
+H      2.70454167      1.76131366     -0.83831718
+H      2.55796139      1.86706784      2.23462870
+H      1.25891936      2.25298121      1.09373283
+H      2.71030494      3.27703623      1.16274634
+H      4.84249071      2.51801919      0.07023237
+H      4.96842409      0.93457079     -0.69691269
+H      5.00492862     -0.15740688      1.57459088
+H      4.87945931      1.44312795      2.33476352
+H      7.00970398      0.68150539      0.63582022 
+
+19
+-1876.3292707851308 12.52314 13.59392 -9.1271 -7.0069 -8.962 1.1408 -0.1594 1.277 8.35831 -0.59876 6.0753387972 6.0753387972 0.387524302
+C      2.18809572     -0.38675789      1.38169459
+C      2.53717876      0.18735185     -0.00164660
+C      2.90248252      1.65733256      0.01372931
+C      1.77049953      2.60383238      0.31992789
+C      4.16867532      2.03982177     -0.25493596
+C      4.73373758      3.42642790     -0.25583666
+O      5.78854733      3.57804973      0.71849396
+H      1.96038217     -1.45973535      1.30781169
+H      1.31011859      0.10557256      1.82382579
+H      3.03059821     -0.26641693      2.07860453
+H      1.67493848      0.03849497     -0.67628181
+H      3.37347532     -0.38560244     -0.43044553
+H      1.00076020      2.54468265     -0.46738707
+H      2.08931692      3.64945974      0.39787609
+H      1.27145562      2.33180171      1.26283059
+H      4.90426573      1.25672635     -0.47357663
+H      3.95320567      4.19129517     -0.10380069
+H      5.21728155      3.64123732     -1.22197492
+H      5.44069479      3.23502596      1.56123141 
+
+17
+-1749.7276278730944 12.476109 13.03597 -9.1886 -7.2088 -9.739 -0.054 -1.6932 -0.694 9.24831 1.35906 3.4218648168 5.0346251104 0.574255918
+C      1.58338294     -0.24452523     -0.90092970
+C      2.43185327      0.28033132      0.27128207
+C      2.95198240      1.68348351      0.06849599
+C      1.90878274      2.76600714      0.03344714
+C      4.28658923      1.89368285     -0.07107087
+C      4.94943060      3.17921521     -0.28028570
+O      6.16490537      3.29833685     -0.41433091
+H      1.26151682     -1.27615030     -0.70344598
+H      2.16253055     -0.24226228     -1.83532154
+H      0.67905590      0.35933891     -1.05805903
+H      3.27986959     -0.39916076      0.44109828
+H      1.81800519      0.26342911      1.18951788
+H      1.23596740      2.62348043     -0.82667352
+H      2.32416884      3.77634130     -0.02984458
+H      1.27687005      2.70665616      0.93400679
+H      4.97094946      1.04047218     -0.02997732
+H      4.29722964      4.08651360     -0.31631901 
+
+21
+-2017.1710115273052 12.14522 13.46359 -9.9204 -7.7151 -11.847 0.8627 -0.1232 2.661 11.44815 -2.32455 9.6462843804 10.296107405 0.101653296
+C      2.83262531     -0.86704700     -1.13750988
+C      2.44158532      0.05707169      0.01885536
+C      3.00772994      1.49897029     -0.01979315
+C      2.55121836      2.24686451     -1.28397338
+C      2.49533269      2.25516464      1.21919665
+C      4.55332901      1.49189173     -0.01532931
+O      5.15047241      0.78868041      1.08003047
+H      2.35833825     -1.85110832     -1.01230878
+H      3.91845215     -1.03578169     -1.17703329
+H      2.51237299     -0.47465715     -2.11390543
+H      2.76494635     -0.40577629      0.96524008
+H      1.34118498      0.13119437      0.06836564
+H      2.93257114      1.77535565     -2.20154753
+H      2.90492661      3.28961184     -1.27475590
+H      1.45250080      2.26820908     -1.34801748
+H      2.78357764      1.74740203      2.15362513
+H      1.39627719      2.31259836      1.21415660
+H      2.88385697      3.28568149      1.24879088
+H      4.91452916      2.53843885     -0.05211605
+H      4.92856843      0.98886865     -0.91932980
+H      4.96432428      1.29163684      1.89147917 
+
+19
+-1887.3391631950556 11.662836 12.84615 -9.4147 -7.2915 -10.785 1.075 -0.7754 0.118 9.89533 0.54917 3.7396905292 8.2578147608 0.150804599
+C      3.46910837     -0.68377682     -1.22688762
+C      3.00494751      0.12522137     -0.01324300
+C      3.28722482      1.65231352     -0.07076705
+C      2.67327206      2.32171775     -1.30284731
+C      2.74895916      2.29575811      1.22623494
+C      4.80013700      1.83323706     -0.04264630
+O      5.47014882      2.42397889     -0.86771266
+H      3.26824750     -1.75324568     -1.07216192
+H      4.54909175     -0.57245537     -1.40564759
+H      2.94813205     -0.38026781     -2.14547691
+H      3.47897350     -0.27817430      0.89906654
+H      1.91848667     -0.00295450      0.12962532
+H      3.11804231      1.94608425     -2.23313319
+H      2.84458574      3.40664449     -1.27904161
+H      1.58803283      2.14340773     -1.33341859
+H      3.22223777      1.86075622      2.12007939
+H      1.66483497      2.12539071      1.30379917
+H      2.92625226      3.38095817      1.23627532
+H      5.28814490      1.35799621      0.85277306 
+
+21
+-2018.165290326566 12.136694 13.53866 -9.9054 -7.7181 -11.821 0.8718 -0.0755 2.751 11.37304 -2.43987 9.594284652 10.8455017696 0.102150891
+C      2.90138950     -0.89157564      1.34138660
+C      2.54511935     -0.03069031      0.12366775
+C      3.11799070      1.40566187      0.11942718
+C      2.51222824      2.26436580      1.23770962
+C      4.66248839      1.45949489      0.15441197
+C      5.33804046      0.61997366     -0.92894838
+O      5.13151588      2.82306616      0.09064952
+H      2.42352404     -1.87882332      1.26560502
+H      2.56012465     -0.43548768      2.28166261
+H      3.98509775     -1.06072044      1.42807586
+H      1.44722576      0.05029910      0.05466928
+H      2.86188114     -0.55235744     -0.79349638
+H      2.81915549      1.85460182     -0.84977320
+H      2.76909260      1.86792319      2.23205154
+H      1.41523128      2.29116057      1.15954029
+H      2.89046885      3.29319336      1.18954670
+H      5.00861617      1.11652601      1.14443141
+H      4.97735690      0.90731321     -1.93082553
+H      5.14706203     -0.45457544     -0.80014323
+H      6.42386323      0.78135270     -0.89512217
+H      4.89203759      3.16725793     -0.78969647 
+
+19
+-1893.950485630617 11.6903 13.07035 -9.1336 -7.124 -10.489 1.1897 -0.5366 0.33 9.52946 0.40899 3.7660623514 8.0339580378 0.150644186
+C      2.99542338     -1.54917201      0.09775192
+C      2.50275940     -0.25974618      0.75807533
+C      3.28584024      0.98928940      0.33285116
+C      2.62850952      2.27878785      0.86598478
+C      4.73471145      0.96044622      0.84075566
+C      5.78110160      1.58462899     -0.05993320
+O      5.02603005      0.47759041      1.92627892
+H      2.39066497     -2.41028125      0.41549673
+H      4.03940473     -1.76364527      0.36892273
+H      2.93321928     -1.48703236     -1.00013277
+H      2.57217880     -0.35199416      1.85347832
+H      1.43929727     -0.10015116      0.51518427
+H      3.31280532      1.04761666     -0.77067345
+H      2.58380823      2.25690216      1.96455666
+H      1.60287104      2.36793760      0.48048620
+H      3.18027577      3.18128951      0.56514955
+H      5.43558154      2.54499704     -0.47008658
+H      5.94869794      0.91670398     -0.92007931
+H      6.72434947      1.71647257      0.48175309 
+
+19
+-1886.6551100827528 11.768755 13.1211 -9.6233 -7.4269 -10.94 1.2213 -0.7868 -0.008 10.05636 0.64673 3.6774619558 10.929861844 0.127479332
+C      0.90440545     -0.15307044      0.28931258
+C      2.38643268     -0.04720562      0.65639124
+C      2.98319302      1.36695330      0.51476908
+C      2.33736277      2.37605733      1.47272924
+C      4.50108680      1.33456916      0.72895443
+C      5.32737540      0.72045742     -0.37414265
+O      4.90841162      0.35420330     -1.45727776
+H      0.56177224     -1.19590715      0.35026740
+H      0.72735615      0.19408888     -0.74031871
+H      0.26535095      0.44018126      0.95927205
+H      2.95934402     -0.73246027      0.01280198
+H      2.53595302     -0.39036716      1.69676786
+H      2.80587738      1.70128504     -0.52302119
+H      2.49301666      2.07980240      2.52316408
+H      1.25475560      2.45966125      1.30648203
+H      2.76839914      3.37989212      1.34080877
+H      4.76626218      0.81673265      1.67095363
+H      4.90733241      2.35716236      0.86012535
+H      6.42088253      0.63661417     -0.13337940 
+
+21
+-2015.7799367396938 12.143263 13.63535 -10.0378 -7.7613 -11.962 0.8506 -0.1218 2.799 11.51213 -2.4937 9.8015396496 10.6737439638 0.129489178
+C      1.08839297     -0.25254269      0.17045250
+C      2.61156707     -0.14184457      0.07040836
+C      3.15928448      1.29006526      0.22403293
+C      2.80945912      1.96226793      1.56893806
+C      3.27119807      1.21478065      2.82446038
+C      4.67040618      1.29687452     -0.05350582
+O      5.26316348      2.60221207     -0.04223235
+H      0.75606928     -1.28395766     -0.01524098
+H      0.59361753      0.39495284     -0.57017051
+H      0.71886989      0.03792650      1.16451892
+H      2.93575658     -0.53351347     -0.90901650
+H      3.07925270     -0.79846565      0.82393860
+H      2.68717567      1.90264265     -0.57130288
+H      1.71921683      2.11436863      1.61698557
+H      3.25874591      2.96771669      1.56615570
+H      2.81199310      0.21854970      2.90939225
+H      2.99551836      1.77877613      3.72696462
+H      4.36305608      1.08439736      2.84672061
+H      4.86654566      0.78821041     -1.01649980
+H      5.20787503      0.73216163      0.72401143
+H      4.86369602      3.11293107     -0.76853110 
+
+19
+-1886.6568411061078 11.769143 13.19061 -9.4423 -7.292 -10.812 1.0514 -0.8246 0.103 9.93484 0.54581 3.7385250608 8.2883897084 0.144166219
+C      3.36918725     -1.05184121     -0.61123792
+C      3.27433297     -0.19863525      0.65546719
+C      3.37283464      1.32124801      0.40245168
+C      3.11127888      2.11961421      1.69751338
+C      3.05302628      3.63567710      1.49786575
+C      4.75664929      1.64991411     -0.11485862
+O      5.02221511      2.14642881     -1.19359256
+H      3.28107308     -2.12057040     -0.37073411
+H      4.32587739     -0.90545762     -1.13369586
+H      2.56700896     -0.79930722     -1.32043614
+H      4.06425374     -0.49368434      1.36926163
+H      2.31729350     -0.39300053      1.16704088
+H      2.64866071      1.61947085     -0.37460970
+H      3.89181575      1.86623352      2.43713277
+H      2.16096970      1.76167382      2.12668075
+H      3.99896020      4.03390801      1.10239505
+H      2.84753148      4.14795165      2.44816171
+H      2.25939088      3.91215511      0.78797975
+H      5.57935019      1.38749137      0.60881438 
+
+17
+-1722.9733025399894 12.280152 14.23957 -9.424 -7.2027 -9.301 0.8766 -0.1097 2.258 8.84758 -1.85191 4.1346355336 10.214462624 0.51117068
+C      0.96215752     -0.08553292     -0.00327299
+C      2.49944395     -0.02170355     -0.00820697
+C      3.02057037      1.34215127      0.00131877
+C      3.45103048      2.48042566      0.00784595
+C      3.91907025      3.86117585      0.01684873
+C      2.75705622      4.87462154      0.00031164
+O      3.21446911      6.22750444     -0.03881872
+H      0.62201737     -1.13052314     -0.00760262
+H      0.54796466      0.41713834     -0.88767186
+H      0.55395910      0.40776652      0.88920374
+H      2.88822577     -0.55069967     -0.89478045
+H      2.89447942     -0.56546272      0.86664188
+H      4.56521639      4.05665353     -0.85472362
+H      4.53927861      4.03845781      0.91379190
+H      2.09499840      4.69363846      0.86532650
+H      2.16005721      4.73314032     -0.91149431
+H      3.62262518      6.43295826      0.82038244 
+
+17
+-1721.7849414161378 12.329722 14.27324 -9.4036 -7.1286 -9.177 0.8705 -0.1637 2.381 8.73021 -1.95408 4.1606973908 11.8198085548 0.36284512
+C      0.96880124     -0.08936340      0.00747633
+C      2.50602278     -0.01602500      0.00539472
+C      3.00774958      1.35384168     -0.01122135
+C      3.38034624      2.51112232     -0.02387441
+C      3.88874999      3.88170983     -0.03788614
+C      5.04636283      4.04701054     -1.03191275
+O      2.78697571      4.76183123     -0.35639792
+H      0.63630579     -1.13666033      0.01339262
+H      0.55514861      0.40271786     -0.88275566
+H      0.55654184      0.41256444      0.89288532
+H      2.90280514     -0.55977922     -0.86864412
+H      2.90372102     -0.53516054      0.89396562
+H      4.25858545      4.11619440      0.98115040
+H      4.70077447      3.82111715     -2.04919474
+H      5.87365844      3.37010944     -0.77773633
+H      5.42677780      5.07948308     -1.00440897
+H      3.13414307      5.67071653     -0.31501262 
+
+15
+-1596.1830108904217 12.095398 13.66938 -9.4127 -7.5316 -9.964 0.0713 -1.6327 -0.394 9.38714 1.05395 3.4617883088 11.7830219086 0.500517145
+C      0.94520233     -0.06926833      0.00188513
+C      2.48301343     -0.03973563     -0.00184649
+C      3.04195685      1.30301025     -0.00007297
+C      3.47319282      2.44504638      0.00273192
+C      3.98481164      3.79806927      0.00602926
+C      5.49549184      3.95688300     -0.00481186
+O      3.23041145      4.76819939      0.01493676
+H      0.58596006     -1.10716582      0.00128770
+H      0.54383746      0.43878642     -0.88448236
+H      0.54825096      0.43623323      0.89169389
+H      2.87278052     -0.57846540     -0.88258981
+H      2.87695107     -0.58204578      0.87486311
+H      6.02237359      2.99646379      0.02800247
+H      5.79104681      4.57497573      0.85442977
+H      5.78356920      4.50434350     -0.91358653 
+
+15
+-1590.836315520716 11.771704 13.48965 -9.49 -7.2998 -9.62 0.9543 -1.0569 -0.082 9.18652 0.7351 3.6522060076 10.3461233574 0.36101825
+C      0.96554040     -0.07597612     -0.00032262
+C      2.50276119     -0.01112274     -0.01072862
+C      3.02293881      1.35210964     -0.00819022
+C      3.46028221      2.48725215      0.00724266
+C      3.91047198      3.87137676      0.02016481
+C      2.78109980      4.84565735     -0.31814289
+O      2.62010069      5.91178789      0.23776922
+H      0.62809809     -1.12154493      0.00361435
+H      0.54737166      0.41889608     -0.88718960
+H      0.55956441      0.42278007      0.88987651
+H      2.89190745     -0.54506686     -0.89399132
+H      2.90253407     -0.54505158      0.86782050
+H      4.69335955      4.02610228     -0.74696721
+H      4.34562805      4.16496978      0.98749827
+H      2.10271165      4.50086022     -1.13855384 
+
+19
+-1875.7112418224558 12.715304 14.15053 -9.4596 -7.2954 -9.324 1.3173 -0.1104 1.215 8.7771 -0.58993 6.3515796052 6.3515796052 0.412289113
+C      0.95183815     -0.35461294      0.28620939
+C      2.46910528     -0.31519742      0.09961234
+C      3.01651921      1.11458391     -0.05789749
+C      4.50346654      1.15605873     -0.24572883
+C      5.14370062      1.66365480     -1.30982169
+C      6.63238305      1.65927413     -1.47374278
+O      7.05319501      0.92217017     -2.63757648
+H      0.58977515     -1.38666810      0.39668939
+H      0.43385688      0.09004988     -0.57729183
+H      0.64442103      0.20595384      1.18226357
+H      2.75226847     -0.90422042     -0.78836068
+H      2.96303141     -0.79863079      0.95970525
+H      2.74794252      1.69232959      0.84590691
+H      2.51966121      1.61238573     -0.90721599
+H      5.10528162      0.72257906      0.56492351
+H      4.56918305      2.09401438     -2.13891454
+H      7.11367683      1.26678572     -0.55824686
+H      7.01167132      2.68014871     -1.63860628
+H      6.64047263      0.04189101     -2.57510692 
+
+17
+-1748.9098025711307 12.675415 13.5767 -9.3935 -7.3698 -10.111 -0.0076 -1.7204 -0.778 9.47234 1.37517 3.4476043104 5.3466978724 0.60838418
+C      1.73077212     -1.07171125      0.61044441
+C      3.22369289     -0.75966647      0.50462020
+C      3.49462695      0.66304981     -0.02438379
+C      4.95098931      0.95786996     -0.16359109
+C      5.62691156      1.94323625      0.46013177
+C      7.06793759      2.11623724      0.25532196
+O      7.75015043      2.98340856      0.78651915
+H      1.56500271     -2.08866637      0.99260721
+H      1.23637069     -0.99716855     -0.37001322
+H      1.22466472     -0.37230808      1.29287252
+H      3.71295746     -1.49175677     -0.15950798
+H      3.70212599     -0.86962153      1.49118966
+H      3.01749776      1.40722731      0.63323387
+H      3.01694415      0.75995125     -1.01713997
+H      5.51973819      0.29090701     -0.82666178
+H      5.13424636      2.64624983      1.13862918
+H      7.52893112      1.37209180     -0.44786212 
+
+19
+-1874.8797772447092 12.365733 13.53969 -9.5424 -7.3926 -9.405 1.2745 -0.1519 1.237 8.76842 -0.59938 6.4300875404 6.4300875404 0.397913931
+C      1.21898798     -0.36601070      0.13409012
+C      2.73477189     -0.55309310      0.04786008
+C      3.47793028      0.77701357     -0.18094035
+C      4.97961082      0.62922694     -0.24739118
+C      5.66593072      0.70648266     -1.39900010
+C      5.70752264      0.40423584      1.05842855
+O      5.55412998      1.50887053      1.96888410
+H      0.70514459     -1.32552802      0.28835935
+H      0.81984582      0.08226047     -0.78884904
+H      0.94757772      0.29743942      0.96929516
+H      2.98268228     -1.24647428     -0.77281048
+H      3.09758273     -1.02733724      0.97453580
+H      3.22478858      1.46900698      0.64036393
+H      3.11365744      1.23610927     -1.11408099
+H      5.16409824      0.88474047     -2.35296720
+H      6.75162316      0.58565677     -1.42365228
+H      6.77468212      0.19541276      0.86307221
+H      5.29219402     -0.46119084      1.59813367
+H      5.89691899      2.29935851      1.51393867 
+
+17
+-1747.7982479602204 11.994739 12.83932 -9.5862 -7.5321 -10.117 -0.0979 -1.8684 -0.866 9.77206 1.43113 3.41767409 5.317015624 0.446888704
+C      0.87531120      0.07135754     -0.05964317
+C      2.39589237     -0.08552176     -0.03997134
+C      3.12359488      1.27115119      0.04295425
+C      4.62098117      1.13030252      0.03785786
+C      5.40079883      1.15499206      1.13668415
+C      5.30760204      0.93720119     -1.26349066
+O      4.74898766      0.92026603     -2.35081340
+H      0.37601838     -0.90712092     -0.10050404
+H      0.54736590      0.65077563     -0.93576593
+H      0.51440631      0.59338382      0.84007707
+H      2.72826464     -0.61484345     -0.94645653
+H      2.69988907     -0.70630870      0.81898669
+H      2.80633319      1.80444580      0.95298677
+H      2.82662101      1.88227995     -0.82477998
+H      4.99243843      1.30731025      2.13738217
+H      6.48279838      1.02375842      1.05387906
+H      6.41883657      0.81279043     -1.18411297 
+
+21
+-2016.9732218025429 12.335399 14.02026 -10.0278 -7.7271 -11.88 0.9009 -0.0414 2.825 11.48977 -2.5372 9.7707043314 10.8712412632 0.186372177
+C      0.88614556      1.95071263      1.06307041
+C      2.41085649      2.05729139      1.14078560
+C      3.10639608      1.53010096     -0.12041270
+C      4.64632755      1.50331576     -0.07668462
+C      5.21848942      0.68762525     -1.24116897
+C      5.23618072      2.92139929     -0.06484361
+O      6.66468575      2.95216220      0.06930696
+H      0.40859964      2.33091403      1.97753304
+H      0.56711441      0.90565628      0.92841499
+H      0.48960554      2.52912662      0.21449888
+H      2.77450635      1.49018497      2.01562617
+H      2.68882572      3.10851843      1.32061185
+H      2.78119771      2.12214387     -0.99650333
+H      2.75196959      0.50150739     -0.30961019
+H      4.94576789      1.01384669      0.87219668
+H      4.87546708      1.09685909     -2.20546480
+H      4.89372790     -0.36182366     -1.18793231
+H      6.31643636      0.71344233     -1.23871174
+H      4.76522980      3.53059325      0.72678216
+H      5.02666081      3.41426498     -1.02875985
+H      6.88230966      2.61436824      0.95593538 
+
+21
+-2021.986609052318 12.297287 13.87381 -9.8568 -7.7337 -11.762 0.8365 -0.1344 2.741 11.28962 -2.41959 9.4519363254 10.388229003 0.105322684
+C      1.12248678      0.54131515      0.59487489
+C      2.52275863      1.03334763      0.96711469
+C      3.52919585      0.85489492     -0.17325070
+C      4.92642637      1.47570043      0.05515484
+C      5.60815734      0.92233118      1.30837478
+C      5.80817887      1.24032889     -1.17870939
+O      4.80645776      2.90214760      0.29573268
+H      0.41589947      0.67506674      1.42676679
+H      1.12902814     -0.52841123      0.33260462
+H      0.72339217      1.09055902     -0.27241653
+H      2.87076999      0.48986644      1.86063276
+H      2.48655732      2.09813625      1.24739491
+H      3.10961811      1.30238109     -1.09451114
+H      3.65429146     -0.22024299     -0.39415708
+H      5.03738991      1.18040281      2.20955416
+H      6.61404946      1.35249043      1.40908626
+H      5.69859855     -0.17149664      1.24987082
+H      5.33718783      1.65832106     -2.08297120
+H      5.97088242      0.16663241     -1.35521326
+H      6.78540318      1.72422553     -1.04238560
+H      4.45810040      3.30476329     -0.51989731 
+
+19
+-1887.022120448274 11.862021 13.34029 -9.4807 -7.3177 -10.833 1.0798 -0.8192 0.091 9.94154 0.55539 3.7295856702 11.0167884286 0.171869133
+C      1.04614364     -0.07142240      0.18373655
+C      2.57122195     -0.17664217      0.14244773
+C      3.25392932      1.18761156     -0.00095933
+C      4.79290845      1.12411006     -0.04534432
+C      5.40379821      2.50052936     -0.36299857
+C      5.32752420      0.66236156      1.29444656
+O      6.04423789     -0.30250988      1.48350173
+H      0.57775229     -1.06068248      0.28124419
+H      0.65368056      0.39523623     -0.73293107
+H      0.71283136      0.54096969      1.03546570
+H      2.87823682     -0.82273783     -0.69757304
+H      2.93174377     -0.68041925      1.05508851
+H      2.94329296      1.84811364      0.83025204
+H      2.90267448      1.68037961     -0.92401036
+H      5.11732548      0.38832270     -0.79891775
+H      5.15611481      3.23592281      0.41832260
+H      5.00674951      2.87915300     -1.31547839
+H      6.49797916      2.44499911     -0.44533282
+H      5.01110515      1.31495467      2.15669004 
+
+17
+-1720.8800816342202 12.373004 14.43503 -9.6255 -7.2926 -9.39 0.8806 -0.1752 2.248 8.96384 -1.77805 4.1615032998 10.1002467208 0.441838332
+C      0.90327326     -0.01076044      0.01539329
+C      2.43134517     -0.01319068      0.01430584
+C      3.01599749      1.41464200      0.00132716
+C      4.47369401      1.44063666     -0.00087052
+C      5.69104109      1.42857037      0.01203140
+C      7.15049193      1.46311097     -0.01351673
+O      7.69587868      2.79302828     -0.05539658
+H      0.50555278     -1.03512797      0.02524997
+H      0.50293402      0.49372785     -0.87738907
+H      0.50432048      0.51022287      0.89921451
+H      2.81160084     -0.55973581     -0.86279655
+H      2.81266209     -0.54353808      0.90078490
+H      2.64109294      1.97006406      0.87891461
+H      2.63845357      1.95327572     -0.88568435
+H      7.51716926      0.86267292     -0.86812536
+H      7.56005467      1.00692433      0.90117592
+H      7.19407774      3.28407697     -0.73043843 
+
+15
+-1589.172733363391 12.234525 13.80343 -9.8487 -7.8244 -10.207 -0.044 -1.8995 -0.686 9.75048 1.29054 3.481030936 10.5182159254 0.779847098
+C      0.91282856     -0.00363537      0.02758582
+C      2.44062467     -0.01977306      0.02816294
+C      3.03235288      1.40371616      0.00113564
+C      4.48322431      1.44681674      0.00030933
+C      5.70364850      1.49042344     -0.00032347
+C      7.14015584      1.47780439     -0.00080256
+O      7.84450129      2.48062395     -0.00312752
+H      0.50773355     -1.02450840      0.04726700
+H      0.51780164      0.49475593     -0.87068575
+H      0.51753423      0.52905164      0.90583622
+H      2.81737243     -0.57701319     -0.84335838
+H      2.81699016     -0.54331383      0.92049618
+H      2.66577301      1.98021737      0.86922268
+H      2.66647495      1.94623746     -0.88892151
+H      7.58955398      0.45511678      0.00159337 
+
+21
+-2020.4318501293071 12.444692 14.32587 -9.9873 -7.7811 -11.902 0.8926 -0.0588 2.876 11.4186 -2.61997 9.7192873372 10.8769446192 0.10309649
+C      0.93430723     -0.04638329     -0.08634709
+C      2.45950579      0.02578700      0.00880816
+C      2.99772436      1.45902783     -0.02401567
+C      4.52269262      1.53832701      0.07119406
+C      5.08207791      2.96407400     -0.00743151
+C      6.59355174      3.00872755      0.20806959
+O      4.71625230      3.61392755     -1.24151349
+H      0.57564302     -1.08548630     -0.05779815
+H      0.57312649      0.40662351     -1.02252569
+H      0.45809535      0.49415077      0.74634719
+H      2.90812668     -0.54907750     -0.82054467
+H      2.79534830     -0.47019780      0.93662916
+H      2.55283044      2.03436592      0.80829385
+H      2.66826935      1.96042732     -0.94903738
+H      4.98080776      0.93660691     -0.73796303
+H      4.86145527      1.08025895      1.01761146
+H      4.58996891      3.58024379      0.76524830
+H      7.11366237      2.39759459     -0.54832315
+H      6.86635024      2.61459776      1.19824008
+H      6.96118122      4.04071440      0.12995813
+H      5.18347265      3.14972003     -1.96019016 
+
+19
+-1894.6176845979048 11.890085 13.70283 -9.2283 -7.1971 -10.63 1.3546 -0.4964 0.262 9.64081 0.46563 3.7392069838 11.2547423598 0.321558991
+C      0.81820703     -0.79680468      0.51751559
+C      2.28609812     -0.84625369      0.08904294
+C      2.96989171      0.52311063      0.13527045
+C      4.43112340      0.47323065     -0.30163843
+C      5.15228221      1.81515676     -0.27598034
+C      6.61571924      1.79611069     -0.68164865
+O      4.59182057      2.85036196      0.05494548
+H      0.35281604     -1.79203340      0.47496548
+H      0.23668671     -0.12715189     -0.13440143
+H      0.71722208     -0.42376014      1.54814135
+H      2.35672762     -1.25652256     -0.93378080
+H      2.83492619     -1.55198797      0.73729308
+H      2.91120056      0.93831493      1.15454158
+H      2.42630224      1.23642072     -0.50525445
+H      4.52265830      0.06705888     -1.32622989
+H      5.00915711     -0.22897389      0.32761336
+H      7.19499608      1.18899343      0.03114726
+H      7.01287607      2.81692019     -0.69770235
+H      6.74051872      1.32916940     -1.67013021 
+
+19
+-1887.3813336704636 11.959818 13.74097 -9.6403 -7.424 -10.967 1.312 -0.754 -0.009 10.08712 0.62957 3.6771271936 11.3171569122 0.235379082
+C      0.52812987     -0.21383895     -1.00973602
+C      1.94930492     -0.52041127     -0.53478647
+C      2.69935791      0.71534106     -0.02762013
+C      4.11596894      0.40182437      0.46064571
+C      4.86834389      1.63338711      0.95418398
+C      6.26480905      1.37627917      1.46090898
+O      6.80992020      0.28810388      1.49949222
+H      0.02136553     -1.12004956     -1.37121503
+H      0.53150073      0.51696673     -1.83306095
+H     -0.08209413      0.20699607     -0.19581348
+H      2.52386952     -0.97797643     -1.35837956
+H      1.91530833     -1.27667891      0.26814483
+H      2.12043077      1.18059162      0.79087123
+H      2.74341163      1.46898522     -0.83484462
+H      4.69572021     -0.07217455     -0.34795149
+H      4.07680088     -0.34305765      1.27191872
+H      4.32460052      2.14552917      1.77131151
+H      4.95542353      2.40395521      0.16402346
+H      6.80291771      2.29353771      1.82038711 
+
+21
+-2008.6142281093385 12.637982 14.68112 -9.6581 -7.3912 -11.613 0.9687 0.0548 3.048 10.89965 -2.82975 9.3916047378 11.1367076878 0.231361316
+C      0.20452351      1.71100255      0.83504136
+C      1.56647992      1.01457894      0.84027221
+C      2.72321657      1.95048703      0.47636280
+C      4.08780131      1.25664475      0.47929903
+C      5.22389917      2.19503379      0.10197808
+O      6.45407120      1.47500564      0.13214059
+C      7.55600421      2.29605463     -0.21981991
+H     -0.60521838      1.01513737      1.09752855
+H     -0.02405975      2.13002715     -0.15711562
+H      0.17906127      2.54081916      1.55816971
+H      1.55148788      0.16719108      0.13335816
+H      1.75467604      0.57683943      1.83575326
+H      2.73761992      2.79889796      1.18418408
+H      2.53266047      2.38808799     -0.52028695
+H      4.08221150      0.40942415     -0.22637231
+H      4.29539515      0.83532891      1.47687481
+H      5.27002690      3.05159238      0.80728104
+H      5.05761783      2.61596325     -0.91211828
+H      8.45578813      1.66903635     -0.17407522
+H      7.67260473      3.14543945      0.48091053
+H      7.45136240      2.70191806     -1.24473592 
+
+19
+-1865.3167024453053 12.866665 14.40763 -9.3486 -7.1544 -9.161 1.181 -0.0062 1.413 8.60285 -0.78055 6.3805179376 6.3805179376 0.421118123
+C      2.20902393     -0.81042347     -1.46206748
+C      2.74400270     -0.31001236     -0.11159670
+C      3.06589684      1.15523521     -0.11956204
+C      4.27105208      1.68895358      0.11717505
+C      4.56540469      3.15338396      0.05889812
+O      5.11463681      3.57797545      1.31080850
+C      5.48549988      4.94778798      1.27727945
+H      1.93819555     -1.87455679     -1.41026429
+H      2.96258272     -0.68670856     -2.25329585
+H      1.31160105     -0.25040984     -1.76551583
+H      3.63910926     -0.88350669      0.17737629
+H      1.98232629     -0.50239276      0.66512756
+H      2.23157682      1.82959790     -0.35656442
+H      5.11909473      1.03978980      0.36387617
+H      3.64481559      3.72634278     -0.17405583
+H      5.30008256      3.36609393     -0.74795745
+H      5.91213369      5.19140878      2.25847804
+H      4.61206975      5.60234834      1.09084691
+H      6.24249509      5.14588276      0.49388381 
+
+19
+-1873.0131678502435 12.519601 13.69062 -8.1232 -6.1885 -8.651 0.8964 0.0111 1.391 8.11968 -0.7645 5.8854418396 5.8854418396 0.332051851
+C      2.48559182     -1.08863224     -1.45962580
+C      3.08336224     -0.59252839     -0.13322038
+C      3.36132180      0.88564052     -0.13491501
+C      4.56601101      1.48173513     -0.01629580
+C      5.89547702      0.81067718      0.16032936
+O      4.76354904      2.84923444     -0.03528082
+C      3.61623474      3.67878143     -0.19289583
+H      2.24310268     -2.16073848     -1.41095185
+H      3.18886208     -0.93133859     -2.29034266
+H      1.55944964     -0.54594272     -1.70243757
+H      3.99442936     -1.16531833      0.09442558
+H      2.37263971     -0.82467452      0.68029173
+H      2.47845492      1.51643152     -0.26395196
+H      5.81049959     -0.28023679      0.15612339
+H      6.35462004      1.12304705      1.11038766
+H      6.58024902      1.11310896     -0.64607798
+H      3.98755472      4.71010555     -0.18203800
+H      2.90030126      3.53607493      0.63424652
+H      3.10568932      3.48136335     -1.15071060 
+
+19
+-1864.8156004601758 12.456857 13.58401 -9.3954 -7.2113 -9.231 1.0067 -0.0024 1.428 8.5854 -0.78681 6.444482315 6.444482315 0.42102532
+C      1.80334488     -0.55339383     -1.07049768
+C      1.71514510      0.25646362      0.23291975
+C      2.26934096      1.65702349      0.12206267
+C      1.50332512      2.74979243      0.25596272
+C      3.73991512      1.79264304     -0.18167042
+O      4.49960258      1.01867522      0.75031985
+C      5.88998148      1.08817227      0.47478496
+H      1.37425275     -1.55567349     -0.93111013
+H      2.84498609     -0.68472569     -1.39633749
+H      1.25210347     -0.05765517     -1.88304453
+H      2.27300741     -0.27447465      1.02152014
+H      0.66682558      0.31640821      0.56274548
+H      0.42833592      2.66899071      0.43164851
+H      1.92249373      3.75604587      0.18964789
+H      4.04290311      2.85696066     -0.13672625
+H      3.95220407      1.43359943     -1.21222309
+H      6.40001665      0.47425315      1.22798704
+H      6.26676238      2.12703137      0.54077799
+H      6.12613360      0.69568335     -0.53340740 
+
+21
+-2008.1093876590166 12.388021 13.87571 -9.6181 -7.3947 -11.592 0.9335 0.0107 3.065 10.8838 -2.76214 9.3656048736 10.476693014 0.113519776
+C      2.85871786     -0.81175929     -1.17576565
+C      2.44632814     -0.04262693      0.08107267
+C      2.96561058      1.40594676      0.15735793
+C      2.39529574      2.13138631      1.38322516
+C      4.49334065      1.49422725      0.12272560
+O      5.04734281      0.78472030      1.22991033
+C      6.46342145      0.84948419      1.23975040
+H      2.38305809     -1.80272238     -1.20148518
+H      3.94577330     -0.97231389     -1.22002208
+H      2.56010192     -0.27698427     -2.09142996
+H      2.78756680     -0.58570407      0.97726063
+H      1.34541576     -0.00819292      0.13947554
+H      2.62212499      1.93675460     -0.75127517
+H      2.73735610      1.65288750      2.31208373
+H      1.29565051      2.11135373      1.37347417
+H      2.71396522      3.18435001      1.40896385
+H      4.80592807      2.55858967      0.16430494
+H      4.88916974      1.07474387     -0.82432078
+H      6.81121936      0.27135166      2.10572352
+H      6.82325383      1.89239254      1.33421100
+H      6.89729908      0.41451535      0.31839936 
+
+19
+-1870.3439789742936 12.799748 13.89904 -8.0269 -5.9929 -8.577 0.9053 0.0296 1.45 8.05873 -0.81326 5.828023923 5.828023923 0.286430658
+C      1.62444052     -0.39823060      1.52250307
+C      2.30690188     -0.05382940      0.18861691
+C      2.61673600      1.41320580      0.01034363
+C      1.46921749      2.38233277     -0.06662399
+C      3.89722005      1.80972984     -0.10106631
+O      4.25969391      3.11884309     -0.32315914
+C      5.64503938      3.38370941     -0.10187215
+H      1.43799379     -1.47950149      1.59785777
+H      0.65553447      0.11092879      1.62797959
+H      2.25501497     -0.10023193      2.37333903
+H      1.65388518     -0.38778633     -0.63936932
+H      3.23819385     -0.63617585      0.09720798
+H      0.80014276      2.12899607     -0.90654617
+H      1.82198882      3.41068836     -0.20718002
+H      0.85382604      2.35369652      0.84694776
+H      4.72806786      1.09540500     -0.05540487
+H      5.81703315      4.42495001     -0.39888646
+H      6.28177760      2.72270362     -0.71540796
+H      5.91218225      3.25879633      0.96166064 
+
+21
+-2009.7158393787954 12.166597 13.51736 -9.3412 -7.2651 -11.367 0.8965 -0.0104 2.801 10.64499 -2.45481 8.9717881418 10.2054612404 0.098883906
+C      2.51293506     -0.79778396     -1.18539049
+C      2.15832893      0.06508723      0.02668129
+C      2.71254030      1.50980281     -0.00408249
+C      2.18151747      2.29121175     -1.20905405
+C      2.33496840      2.24017204      1.29335130
+O      4.15406461      1.51888350     -0.20667360
+C      4.94522119      0.90733466      0.80280199
+H      2.16939974     -1.83166057     -1.03876396
+H      3.59931710     -0.81940511     -1.35186244
+H      2.04450969     -0.42377594     -2.10683555
+H      2.51305693     -0.42826763      0.94707275
+H      1.06296119      0.13262536      0.13458681
+H      2.52081467      1.83661145     -2.14865387
+H      2.55480287      3.32409740     -1.17910272
+H      1.08267026      2.31467411     -1.20331553
+H      2.65954324      1.69005085      2.18805522
+H      1.24353818      2.35572766      1.35780344
+H      2.78871357      3.24139426      1.31259914
+H      5.98666742      0.99874171      0.46687523
+H      4.71716185     -0.16606301      0.93553710
+H      4.85164734      1.41054145      1.78169043 
+
+21
+-2009.0983663740274 12.277942 13.80262 -9.3805 -7.2971 -11.407 0.9437 0.0305 2.999 10.7094 -2.68368 9.1705253012 11.3383213224 0.12794298
+C      1.34985994     -1.26456559     -0.01101119
+C      0.76278925      0.14721468     -0.05799511
+C      1.21351871      1.02750187      1.10982853
+C      0.80999970      2.50616341      0.96160255
+C     -0.69890543      2.76028569      0.91311650
+O      0.67692657      0.43315571      2.30634184
+C      1.33080713      0.84542183      3.49658264
+H      0.99515581     -1.87049532     -0.85686278
+H      1.06144009     -1.77352720      0.91872133
+H      2.45000491     -1.23915613     -0.05572560
+H     -0.33767426      0.09379677     -0.05463235
+H      1.05395160      0.64810189     -0.99615139
+H      2.32287365      0.98326156      1.17081524
+H      1.29283480      2.89433437      0.04886657
+H      1.25145180      3.07738626      1.79471988
+H     -1.15937570      2.32909974      0.01271506
+H     -0.91129441      3.83877006      0.90762474
+H     -1.19828646      2.31960494      1.78770568
+H      0.92019163      0.23570932      4.31256815
+H      1.15597357      1.91087379      3.73395032
+H      2.42298712      0.67438235      3.43710938 
+
+17
+-1710.1042770936247 12.495646 14.52365 -9.4199 -7.106 -9.202 0.8986 0.0215 2.405 8.92498 -1.96584 4.182543724 11.7675608544 0.469535807
+C      0.97484683     -0.10219911      0.00444829
+C      2.51230484     -0.02987471      0.00154231
+C      3.00922076      1.34139653     -0.00145515
+C      3.37561120      2.50050075     -0.00524721
+C      3.85722488      3.87307058     -0.00596259
+O      2.76573510      4.78524490     -0.17099402
+C      3.22534158      6.12963268     -0.16997754
+H      0.64143380     -1.14910060      0.00450127
+H      0.56101813      0.39565700     -0.88249955
+H      0.56407745      0.39498157      0.89322024
+H      2.90812118     -0.56286382     -0.87949040
+H      2.91097076     -0.55811882      0.88417694
+H      4.59421944      4.01462885     -0.82435384
+H      4.38772034      4.08829929      0.94548143
+H      2.34243877      6.76767649     -0.29888321
+H      3.93361915      6.32033772     -0.99924608
+H      3.72396579      6.39048070      0.78346911 
+
+19
+-1869.9094020389837 12.544448 13.94646 -8.4308 -6.3618 -8.971 0.9436 0.0683 1.295 8.50862 -0.72363 6.0692510846 6.0692510846 0.325533423
+C      0.74566264     -0.14504764     -0.10406208
+C      2.26497749     -0.13321368      0.07093331
+C      2.87905812      1.26197049     -0.13582896
+C      4.36750019      1.30124089      0.06749984
+C      5.22266735      1.64357553     -0.91095507
+O      6.58773713      1.71009835     -0.86563834
+C      7.18961842      1.36178026      0.38135215
+H      0.32869365     -1.14945428      0.05696354
+H      0.46010093      0.17629385     -1.11770917
+H      0.25779521      0.53793995      0.60858276
+H      2.73329841     -0.83671084     -0.63723928
+H      2.52594667     -0.49614602      1.08001264
+H      2.38829705      1.96425620      0.56374665
+H      2.63331407      1.62087429     -1.15024411
+H      4.73877090      1.02183545      1.05682913
+H      4.87377045      1.92559205     -1.90815996
+H      8.27147634      1.45830476      0.23563881
+H      6.94296738      0.32423196      0.66294848
+H      6.85994759      2.04313842      1.18368964 
+
+19
+-1873.0012060170707 12.421285 13.71391 -8.583 -6.5294 -9.108 0.9431 0.0672 1.319 8.49805 -0.73608 6.2053877126 6.2053877126 0.356183247
+C      0.63577974      0.44736941     -1.01877356
+C      1.88043929     -0.25508434     -0.47511095
+C      3.04185105      0.72100276     -0.21821480
+C      4.27930113      0.05705879      0.32126334
+C      4.77580755      0.26092428      1.55635613
+O      4.81505322     -0.78934691     -0.61839146
+C      5.98207448     -1.51687093     -0.23770705
+H     -0.18128277     -0.26706687     -1.19427748
+H      0.84784681      0.95270913     -1.97370870
+H      0.26634074      1.20981917     -0.31536925
+H      2.21437437     -1.02998433     -1.18233365
+H      1.63798881     -0.77417342      0.46700566
+H      2.72650840      1.49882583      0.49337699
+H      3.29919953      1.23120662     -1.16314019
+H      4.27091911      0.95929472      2.22031095
+H      5.66629078     -0.23605582      1.93467492
+H      6.25382035     -2.12975988     -1.10467247
+H      5.77811403     -2.16751412      0.62880350
+H      6.81208339     -0.83439408      0.00940804 
+
+21
+-2010.2155205013903 12.452149 14.13891 -9.4601 -7.3241 -11.453 0.9549 0.0676 3.037 10.73208 -2.74871 9.2208760158 11.5500026202 0.124952157
+C      0.94787666      1.83269697      0.97109648
+C      2.47367054      1.94224172      0.97058435
+C      3.11850549      1.24423965     -0.22953141
+C      4.64296906      1.35151165     -0.27460568
+C      5.24459132      0.50926586     -1.40111050
+O      4.95900897      2.74802083     -0.42565009
+C      6.29565218      3.07533959     -0.07922233
+H      0.50870433      2.33839734      1.84312359
+H      0.62030631      0.78145540      0.99515139
+H      0.51705835      2.29214432      0.06806620
+H      2.87577628      1.50526929      1.90151670
+H      2.77458425      3.00116815      0.96924482
+H      2.71845036      1.66693148     -1.16817444
+H      2.84868071      0.17424830     -0.22670039
+H      5.05597118      1.00693234      0.69813363
+H      4.83972043      0.83005518     -2.37239546
+H      5.00175818     -0.55351665     -1.25639942
+H      6.33936570      0.59571221     -1.43717278
+H      6.37841493      4.16913884     -0.12949467
+H      7.03692555      2.63697455     -0.77236647
+H      6.53931924      2.74554297      0.94918648 
+
+15
+-1576.7532629557566 10.74371 11.49285 -9.8748 -7.759 -9.8 0.3898 -1.2736 -0.544 9.29435 1.09037 4.1318706458 5.1620207254 0.344736629
+C      0.86252376     -0.15158650      0.15413174
+C      2.34904317      0.00938451      0.14008499
+C      3.05827707      1.14368830     -0.05283883
+C      2.47986471      2.51621551     -0.25288641
+C      4.55874166      1.12349945      0.03934076
+O      5.19572584     -0.03774078     -0.32344436
+O      5.21351554      2.07666525      0.41068698
+H      0.55632944     -0.94484999     -0.54588210
+H      0.32509957      0.76520931     -0.11363060
+H      0.51934039     -0.47192058      1.15117532
+H      2.90157203     -0.91115159      0.36442102
+H      1.38519303      2.51892678     -0.22757574
+H      2.80950836      2.94250008     -1.21223367
+H      2.85825480      3.18913056      0.52942919
+H      4.53526062     -0.63830030     -0.72015829 
+
+15
+-1575.968278014626 10.754333 11.68992 -9.664 -7.5666 -9.721 1.0306 -0.6078 0.081 9.22228 0.54005 4.2669285956 11.9645994056 0.337982004
+C      0.79241113     -0.11802481      0.07408320
+C      2.27292060     -0.02033647      0.26901524
+C      3.05580036      0.96514509     -0.20251065
+C      4.54382578      1.03814937     -0.01569079
+C      5.37133399      0.67838480     -1.26099879
+O      4.74988945     -0.14890112     -2.15001142
+O      6.50656036      1.05459386     -1.44554721
+H      0.51663405     -1.06606060     -0.41415073
+H      0.40586228      0.71061406     -0.53445392
+H      0.27063146     -0.10682710      1.04416906
+H      2.73965079     -0.81716231      0.86265674
+H      2.59626173      1.77224303     -0.78629287
+H      4.86764641      0.33964841      0.77358130
+H      4.87080330      2.04051515      0.29425263
+H      3.83746830     -0.30460136     -1.81601179 
+
+15
+-1575.976983892978 10.476523 11.23301 -9.763 -7.6732 -9.821 0.8095 -0.7617 0.006 9.22922 0.59474 4.2721484062 6.4199702828 0.256583321
+C      0.68574168     -0.49075814      0.14453447
+C      2.11172140     -0.70664999     -0.28428106
+C      2.50920180     -1.79758345     -0.96396792
+C      3.09982796      0.35512794      0.13790588
+C      3.56867423      0.23559348      1.59816218
+O      3.63287585     -1.03671750      2.08378622
+O      3.90317367      1.18111630      2.27540343
+H      0.28214327      0.42186068     -0.32229935
+H      0.61445452     -0.34039022      1.23341878
+H      0.04324435     -1.33525723     -0.13400462
+H      1.80506718     -2.58638038     -1.23524798
+H      3.54450805     -1.92249126     -1.28893482
+H      2.68919501      1.36756819      0.02511216
+H      4.01087773      0.30074825     -0.47909891
+H      3.28823331     -1.64033668      1.38712154 
+
+15
+-1572.6158474736674 10.500205 11.28625 -9.8128 -7.7437 -10.144 0.8164 -0.8502 0.01 10.15907 0.60082 4.2628122604 6.4168830314 0.247240641
+C      0.72730084     -0.15693776      0.07394630
+C      2.23283699      0.07056499     -0.10377761
+C      2.76990316     -0.56300494     -1.36006162
+C      3.84776742     -1.35793949     -1.42394084
+C      2.57124513      1.58008411     -0.01986363
+O      3.74167562      1.94682696     -0.61401701
+O      1.89320650      2.39233800      0.56773078
+H      0.36915055      0.36599629      0.96864745
+H      0.51157056     -1.22895062      0.16897664
+H      0.16930569      0.23457612     -0.78860598
+H      2.76808702     -0.36962948      0.75855051
+H      2.22258293     -0.32798295     -2.28117730
+H      4.41108727     -1.62978051     -0.52694443
+H      4.19274570     -1.77476775     -2.37118720
+H      4.10549461      1.15610702     -1.07140606 
+
+15
+-1576.0730608243437 10.831795 11.54213 -9.6984 -7.6588 -9.864 0.4295 -1.2138 -0.394 9.27104 0.97653 4.1606973908 5.2748851812 0.330027101
+C      0.97384075      0.00013693     -0.14637820
+C      2.47025664     -0.10173796     -0.02570015
+C      2.99109879     -1.49947037      0.18377567
+C      3.23110940      1.01495515     -0.05955278
+C      4.70267737      1.12824084      0.12402229
+O      5.49608069      0.23244812     -0.55885817
+O      5.21998206      1.98036366      0.81671008
+H      0.64239078      1.02861918     -0.33439651
+H      0.48535877     -0.36114339      0.77299171
+H      0.60790120     -0.64036407     -0.96518156
+H      2.43435243     -1.97937178      1.00387331
+H      4.05663844     -1.54014867      0.43615944
+H      2.81088211     -2.12211676     -0.70828319
+H      2.73882190      1.98895058     -0.11200296
+H      4.92466867     -0.28610146     -1.15701898 
+
+17
+-1715.874445209928 10.416107 11.49107 -9.937 -7.8647 -11.266 0.6474 -0.4279 0.158 10.23165 0.48074 4.334426574 10.8837762478 0.152866607
+C      1.02476677     -0.00370891     -0.12498361
+C      2.56276843     -0.07627414     -0.00425050
+C      2.94473033     -0.77226777      1.30958563
+C      3.15196517     -0.86048288     -1.19724960
+C      3.14490293      1.35464168      0.00762323
+O      2.89053744      2.11748717     -1.10643112
+O      3.79264008      1.83161854      0.91168523
+H      0.69124752      0.44514231     -1.07360594
+H      0.58864170      0.58216468      0.69643077
+H      0.60408819     -1.01895487     -0.08133273
+H      2.54749284     -0.22707849      2.17556685
+H      4.03494231     -0.82623190      1.42570140
+H      2.53845079     -1.79404322      1.32006992
+H      2.86926932     -0.43223881     -2.17155391
+H      2.77912300     -1.89498487     -1.17753486
+H      4.24962014     -0.89215246     -1.14907181
+H      2.36118306      1.59611394     -1.73953894 
+
+17
+-1717.082820775234 10.549165 11.80109 -10.1663 -8.0713 -11.422 0.6203 -0.411 0.083 10.36501 0.52968 4.3225735124 7.7762035424 0.129149154
+C      1.00660850     -0.19750733      0.21497568
+C      2.40783536     -0.26413641     -0.40349022
+C      2.42967092     -1.17181644     -1.63823388
+C      2.92751086      1.13581784     -0.76305186
+C      3.23723896      2.01807557      0.43915125
+O      3.38256763      3.35716329      0.15943785
+O      3.39162793      1.62741354      1.57371648
+H      0.99793929      0.42153219      1.12210192
+H      0.65630607     -1.20233169      0.49186131
+H      0.28082256      0.22173100     -0.50125825
+H      3.09659177     -0.67556704      0.35296743
+H      1.76723300     -0.78438810     -2.42939046
+H      2.08294053     -2.18390493     -1.38446512
+H      3.44235180     -1.25965980     -2.05982638
+H      2.20694271      1.64756667     -1.42667842
+H      3.86790322      1.05229569     -1.33712516
+H      3.21552891      3.50508595     -0.79117215 
+
+13
+-1415.9407782579844 9.980666 10.88199 -10.0475 -7.9727 -10.427 0.9844 -0.4394 0.038 10.25563 0.63446 4.2632090156 10.9408098078 0.334558043
+C      0.93105131     -0.12059735      0.13619323
+C      2.44641179      0.04295539     -0.10364413
+C      2.92082697     -0.70397096     -1.26305588
+C      3.33397654     -1.26073327     -2.26141911
+C      2.81641721      1.55294725     -0.17009444
+O      3.56000362      1.94632215     -1.23061251
+O      2.46825443      2.33043100      0.68913759
+H      0.63942362      0.48411412      1.00282957
+H      0.68956672     -1.17313034      0.32700071
+H      0.36202366      0.21578897     -0.74023962
+H      2.97938048     -0.32766843      0.79014881
+H      3.68816173     -1.78053774     -3.12897553
+H      3.71037192      1.15742921     -1.80193869 
+
+13
+-1423.5156363594153 10.36836 11.74463 -9.889 -7.7525 -9.913 0.5426 -0.4011 0.094 9.51624 0.56667 4.1277295134 10.2406484672 0.576906493
+C      0.99463092      0.00572094     -0.10128834
+C      2.44830352     -0.00197198     -0.03675739
+C      3.66324094     -0.04419785      0.03557876
+C      5.11711342      0.00087512      0.07573853
+C      5.74416054      1.28682258     -0.50865357
+O      4.86814544      2.20228111     -0.98883746
+O      6.94041482      1.46408082     -0.53554206
+H      0.59916882      1.03058352     -0.04804693
+H      0.56597908     -0.56109092      0.73808697
+H      0.63568091     -0.44826079     -1.03628440
+H      5.55870165     -0.84098505     -0.48022646
+H      5.49177341     -0.08663549      1.10745469
+H      3.96226652      1.83405798     -0.85825234 
+
+15
+-1574.3752261415932 11.012264 11.86272 -9.9904 -7.9888 -10.308 0.0878 -1.5942 -0.699 9.76483 1.22698 4.085028735 5.5257708522 0.495641436
+C      1.78279246     -0.68991262     -0.99362878
+C      2.90457247     -0.27788744     -0.02734708
+C      3.06665426      1.20787974      0.06370153
+C      4.20562175      1.88081866     -0.17304051
+C      4.40803631      3.34588810     -0.02970520
+O      3.29504557      4.15061418     -0.05699528
+O      5.50719598      3.84297718      0.11488507
+H      1.66544092     -1.78195214     -1.00756199
+H      2.00175993     -0.35664346     -2.01771981
+H      0.81823811     -0.25355670     -0.69460689
+H      3.85858141     -0.73743488     -0.32724632
+H      2.66769755     -0.66604690      0.97902107
+H      2.16270545      1.75319190      0.36993346
+H      5.12307510      1.34286201     -0.42394451
+H      2.51684273      3.60886236     -0.28935476 
+
+15
+-1573.6117290972945 10.512352 11.26465 -10.1464 -8.1121 -10.257 0.1668 -1.538 -0.616 9.69541 1.10859 4.1283742406 5.5017051696 0.310073177
+C      3.05579279     -0.56954401      1.16253038
+C      2.60894365      0.23712527     -0.06650530
+C      2.82176982      1.72001747      0.09235150
+C      1.81981365      2.61582488      0.13636657
+C      4.26050133      2.16816196      0.10233267
+O      4.55491605      3.28244780      0.84385745
+O      5.13778872      1.59675446     -0.51118884
+H      2.90840464     -1.64422129      0.98911012
+H      2.47850066     -0.28618312      2.05440943
+H      4.12194635     -0.40971446      1.37533186
+H      1.54653145      0.04914385     -0.27948056
+H      3.18864479     -0.09295409     -0.94270641
+H      0.77862112      2.29607882      0.06576377
+H      1.99312367      3.69276105      0.18934295
+H      3.75553131      3.53756142      1.34457441 
+
+17
+-1716.1887687000726 10.477026 11.69443 -10.0536 -7.9704 -11.308 0.6543 -0.4282 0.153 10.26695 0.47028 4.3485237822 7.740755945 0.122645366
+C      4.04291254     -1.06030478      0.00921466
+C      3.20021406     -0.05623671      0.79652730
+C      3.30197891      1.38460247      0.27158193
+C      2.32428725      2.32716253      0.99827001
+C      4.72306382      1.92568166      0.45983385
+O      5.24226881      2.64522480     -0.58966410
+O      5.37618485      1.78770162      1.47002966
+H      3.92124534     -2.07554451      0.41149678
+H      5.11319155     -0.81244926      0.06081959
+H      3.74938933     -1.08709968     -1.05188138
+H      3.50790437     -0.05387923      1.85409159
+H      2.13900819     -0.35242942      0.76967525
+H      3.05304094      1.38007855     -0.80676877
+H      2.54888648      2.34722908      2.07383851
+H      1.29190268      1.97492067      0.86517528
+H      2.38620876      3.35657253      0.61805331
+H      4.59939213      2.63702967     -1.32423347 
+
+13
+-1417.936599710747 10.729005 12.05859 -10.1549 -8.087 -10.348 0.4127 -1.4082 -0.58 10.10033 1.13426 3.6090092852 11.3671232702 0.686978511
+C      0.95979974     -0.06231645      0.00304047
+C      2.49801965     -0.03193736     -0.00021834
+C      3.04775959      1.31439813      0.00006347
+C      3.47226594      2.45701657      0.00025185
+C      3.92898734      3.82739684      0.00047697
+O      5.29422678      3.97416801     -0.00010987
+O      3.20058693      4.79676873      0.00027173
+H      0.60396005     -1.10108678      0.00296864
+H      0.55796980      0.44380339     -0.88403842
+H      0.56176249      0.44236081      0.89264892
+H      2.88793187     -0.56873531     -0.88155665
+H      2.89167400     -0.57067343      0.87826746
+H      5.69643581      3.08301685     -0.00012625 
+
+17
+-1716.6686937989214 10.642331 12.19373 -10.1825 -8.063 -11.453 0.6311 -0.405 0.082 10.3888 0.52234 4.325747554 11.0934861682 0.28461329
+C      1.00499643     -0.35762255      0.14349999
+C      2.53072631     -0.32515639      0.03949693
+C      3.10103505      1.09376620      0.11081021
+C      4.62511632      1.12456641      0.00832971
+C      5.21265719      2.52700103      0.07132807
+O      6.58220367      2.59062433     -0.05241516
+O      4.57974030      3.54669822      0.21937013
+H      0.62078685     -1.38584482      0.08623546
+H      0.53905165      0.21967827     -0.66935763
+H      0.66234919      0.07543608      1.09540625
+H      2.84514169     -0.79970060     -0.90660738
+H      2.96781974     -0.93770224      0.84749327
+H      2.79553359      1.57733753      1.05213529
+H      2.67534192      1.71232676     -0.69522592
+H      4.95744611      0.65263363     -0.93371693
+H      5.07774038      0.52887948      0.82149958
+H      6.93684362      1.68804867     -0.16671189 
+
+21
+-2011.6628548901508 12.663175 14.68379 -9.5238 -7.332 -11.516 0.9874 0.0736 3.114 10.79793 -2.89791 9.330752409 11.6285601498 0.235459052
+C      7.79898289      0.30133455      2.27577873
+C      6.67535653      1.22571579      1.80292284
+C      5.38019257      0.47382809      1.48301270
+C      4.26230081      1.40037478      1.03030668
+O      3.10432147      0.62745475      0.72727773
+C      2.01247151      1.44006774      0.30195001
+C      0.82320498      0.54575662      0.00582558
+H      8.71806731      0.86356567      2.49434334
+H      8.04140127     -0.45245214      1.51108756
+H      7.51056836     -0.23756938      3.19128759
+H      7.00727616      1.77989683      0.90778691
+H      6.47628810      1.98748986      2.57668961
+H      5.04032168     -0.08595345      2.37031941
+H      5.56388467     -0.27195513      0.69167806
+H      4.57739718      1.97713402      0.13496999
+H      4.02676443      2.13840835      1.82618814
+H      2.30256921      2.01780689     -0.59990538
+H      1.76126422      2.17588394      1.09361365
+H      1.06315030     -0.16724026     -0.79489305
+H     -0.03710210      1.15053909     -0.31341442
+H      0.53510847     -0.02328660      0.90049433 
+
+13
+-1443.6083302707327 11.627834 12.10424 -9.2959 -7.1746 -9.176 0.1783 -1.4518 -0.217 8.69238 0.92041 3.6395966314 6.0748676504 0.344404474
+C      0.75687228      0.22276593      0.14612138
+C      2.09368529      0.08438662      0.02321179
+C      2.75480314     -1.27975898     -0.04811598
+C      3.34196202     -1.57485907     -1.42057141
+O      3.24203393     -2.64946357     -1.97911034
+C      2.95753699      1.21490027     -0.06961156
+C      3.74423900      2.14033182     -0.14853370
+H      0.29360059      1.20781275      0.18796510
+H      0.10931664     -0.65196124      0.21297757
+H      2.05365182     -2.08214747      0.21521539
+H      3.59954203     -1.30966378      0.66377932
+H      3.89460471     -0.72430610     -1.89221778
+H      4.41876156      2.96942280     -0.21667978 
+
+13
+-1436.9366006807957 11.331093 12.16204 -9.7326 -7.5712 -9.722 0.7366 -1.2118 -0.234 10.02962 0.91074 3.6495775044 10.786720007 0.442267759
+C      1.56671366     -0.69194415      0.16435654
+C      2.62876560     -0.11725421      0.73238083
+C      3.12991426      1.26009633      0.36997301
+C      3.09990069      2.24722408      1.56409297
+O      2.64591881      1.98617116      2.65473062
+C      4.49099235      1.25086679     -0.16396164
+C      5.64433716      1.26061905     -0.54268803
+H      1.23664428     -1.68782654      0.46145951
+H      0.98900684     -0.18932496     -0.61532603
+H      3.19397439     -0.63381839      1.51191179
+H      2.45967344      1.70881350     -0.39034727
+H      3.54755203      3.24390664      1.32677647
+H      6.65318649      1.25385071     -0.90239877 
+
+15
+-1603.189650267821 11.9451 12.38246 -9.1848 -7.2129 -9.76 -0.2424 -1.9505 -0.66 9.31354 1.31692 3.475451566 5.54589378 0.3968196
+C      0.59908783     -0.09983662     -0.39189194
+C      1.71124590     -0.26725448      0.33358277
+C      2.84844410      0.71500680      0.41548169
+C      4.14367363      0.09984966     -0.13056497
+O      5.06092771     -0.22529302      0.61489855
+C      4.20324994     -0.08867546     -1.61131162
+C      5.30310718     -0.56515272     -2.21213902
+H     -0.18662719     -0.85631464     -0.40852965
+H      0.43188902      0.80411864     -0.98327138
+H      1.84029433     -1.18586948      0.91608086
+H      3.04528725      0.99660871      1.46008307
+H      2.60291178      1.62111488     -0.16215802
+H      3.31680967      0.18536754     -2.18940161
+H      6.17465602     -0.83639197     -1.61181976
+H      5.35810284     -0.69297784     -3.29343898 
+
+13
+-1442.2100176127192 11.518613 12.4482 -9.8266 -7.6469 -9.783 -0.1687 -1.9685 -0.63 9.66526 1.27642 3.5612002836 6.6584697524 0.488872669
+C      1.34798895     -0.57446772      0.58410544
+C      2.42808196     -0.19179417     -0.10371583
+C      3.18238819      1.07652463      0.15567988
+C      4.69740670      0.90203968      0.20142318
+O      5.27505667     -0.13309910     -0.10449537
+C      5.43853889      2.08243327      0.61797558
+C      6.04718691      3.07250742      0.97464761
+H      0.82528782     -1.50181717      0.34701528
+H      0.94889970      0.02339125      1.40772915
+H      2.81233712     -0.82008629     -0.91167268
+H      2.85287870      1.57087763      1.08378587
+H      2.99594168      1.81502945     -0.64909494
+H      6.60040670      3.93691112      1.28431683 
+
+17
+-1726.016099795477 12.425282 13.39339 -8.9003 -6.757 -9.514 1.5206 -0.0903 1.169 9.08933 -0.71175 6.4073733052 6.6950952168 0.435520778
+C      4.47180157     -1.65761488     -1.32611527
+C      3.94599936     -0.96815371     -0.30771363
+C      2.85728698      0.05788979     -0.43224454
+C      3.32707846      1.43727064      0.02194009
+O      2.19892327      2.32549809     -0.01767717
+C      2.43335193      3.61337182      0.36239193
+C      3.58729190      4.16573583      0.76882046
+H      5.26108412     -2.39389489     -1.16872436
+H      4.12363491     -1.51343528     -2.35222918
+H      4.32618911     -1.14664104      0.70532565
+H      1.99735991     -0.23015531      0.19616360
+H      2.49889038      0.11570642     -1.47119614
+H      4.12302876      1.81944670     -0.64116202
+H      3.72676341      1.40027844      1.05188309
+H      1.50755011      4.18910356      0.29620563
+H      4.52587984      3.62073292      0.84363336
+H      3.58934598      5.21981092      1.03818850 
+
+13
+-1446.4420305576668 12.07934 12.34791 -9.3222 -7.2459 -9.013 -0.491 -2.1165 -0.974 8.62852 1.6527 3.3910171 4.274479343 0.293864971
+C      0.98551835     -0.28843693      0.16334051
+C      2.45851877     -0.05506711      0.14873492
+C      3.14064582      1.11716902     -0.00516954
+C      2.44457981      2.42219517     -0.19235881
+O      3.01134553      3.49321452     -0.33276901
+C      4.56537788      1.13688977      0.00829797
+C      5.77978193      1.18240977      0.01363541
+H      0.71701210     -1.01027122     -0.62510895
+H      0.37720453      0.61088360      0.02685057
+H      0.69466575     -0.76162775      1.11545378
+H      3.06870482     -0.95447852      0.28049070
+H      1.33105880      2.36526197     -0.19733798
+H      6.84984593      1.21879771      0.01870043 
+
+17
+-1730.0260246596113 12.767067 13.50001 -8.6059 -6.5402 -8.85 0.8608 -0.0132 1.146 8.26485 -0.65916 5.9084784384 5.9084784384 0.525281548
+C      0.31318577     -0.31793516     -0.02346782
+C      1.75238099      0.01884228     -0.26156374
+C      2.29277298      1.24328239     -0.34734429
+C      1.61720514      2.57437100     -0.23083769
+O      3.65662452      1.31797491     -0.69442550
+C      4.49073249      1.89306119      0.23510275
+C      5.72471833      2.30493398     -0.07410765
+H      0.20091595     -0.94943125      0.87225221
+H     -0.09879588     -0.89605889     -0.86681822
+H     -0.31770550      0.56963768      0.11131164
+H      2.44022366     -0.81989713     -0.40299315
+H      0.55209024      2.47262815      0.00563890
+H      1.71651698      3.12946885     -1.17686538
+H      2.08487728      3.19212500      0.55108437
+H      4.08802744      1.93994839      1.25245440
+H      6.10950262      2.24067959     -1.09140961
+H      6.36826698      2.69784900      0.70926879 
+
+17
+-1734.5763021881992 13.008843 13.16304 -8.5762 -6.5536 -8.373 0.6267 -0.8616 0.29 7.86305 0.28865 5.0424114312 5.0424114312 0.743987895
+C      0.90117052     -0.29848897     -0.18501633
+C      2.36276807      0.01612560     -0.21489135
+C      2.99209842      1.18540855      0.07110902
+C      2.24803112      2.43467199      0.48339197
+O      2.46854629      2.80546562      1.85810658
+C      4.45405706      1.24319337     -0.02670009
+C      5.23618840      2.29441875      0.28005359
+H      0.70793912     -1.16114654      0.47318467
+H      0.54802796     -0.59575566     -1.18634387
+H      0.27722064      0.53537033      0.15873643
+H      3.00453684     -0.82297527     -0.51086695
+H      1.16933087      2.33134208      0.28132273
+H      2.60739977      3.29153189     -0.10702346
+H      2.36136995      1.99784946      2.39118398
+H      4.93030680      0.32465123     -0.38877903
+H      4.82878591      3.22392096      0.67994478
+H      6.31787225      2.23573663      0.15716732 
+
+15
+-1576.4319165320924 12.409628 12.99001 -8.9479 -6.8539 -8.568 0.5631 -0.9558 0.486 8.12322 0.12141 4.0726797294 5.791820011 0.381331748
+C      0.99722078     -0.32405003     -0.18700263
+C      2.47318011     -0.08982980     -0.15042982
+C      3.13074265      1.08993256     -0.00994458
+C      2.44380995      2.43246307      0.16055487
+O      2.59817845      2.96965607      1.48147616
+C      4.55684031      1.11693363      0.00883558
+C      5.77191212      1.18956966      0.01699607
+H      0.71091908     -1.06881132      0.57293563
+H      0.69933598     -0.75130876     -1.15865197
+H      0.40120699      0.58085515     -0.01975164
+H      3.09264976     -0.98640273     -0.25350549
+H      1.37856112      2.35482451     -0.11400987
+H      2.90879412      3.17079743     -0.50832615
+H      2.34361333      2.27067273      2.11022018
+H      6.84099525      1.24546785      0.02543366 
+
+15
+-1609.2032659984625 12.660091 13.0289 -9.077 -7.2734 -9.817 -0.632 -2.2162 -0.809 9.02854 1.59666 3.330573925 5.0460070252 0.603368916
+C      0.37693782      0.42509110     -0.08208162
+C      1.80537580      0.07508293      0.15009809
+C      2.85016872      0.91485403      0.02768349
+C      4.24517404      0.46836499      0.28187118
+O      4.52392799     -0.68721777      0.61312924
+C      5.30104387      1.51495128      0.10982449
+C      6.59917737      1.24266929      0.30448131
+H     -0.05552076     -0.21732078     -0.86635145
+H      0.24557129      1.47481717     -0.37628118
+H     -0.21953305      0.23632245      0.82534313
+H      2.03520241     -0.95504675      0.44694475
+H      2.69272867      1.95797227     -0.26516292
+H      4.97644274      2.51783055     -0.18265025
+H      6.90105692      0.23402476      0.59593692
+H      7.37204616      2.00150447      0.18029482 
+
+13
+-1449.1698610395927 11.884544 12.31446 -9.5643 -7.7498 -10.125 -0.5305 -2.2282 -1.04 9.22834 1.73924 3.334913435 5.2058125806 0.446549425
+C      0.89992909      0.01519068     -0.03827735
+C      2.38757470      0.02036906     -0.12184572
+C      3.17989043      1.06623502      0.18367969
+C      4.65015751      1.04575478      0.09300253
+O      5.34017047      2.02629195      0.38344051
+C      5.29085297     -0.18557033     -0.35773881
+C      5.88337675     -1.18095630     -0.72632952
+H      0.55481065     -0.77799667      0.64441120
+H      0.45933540     -0.21790582     -1.02106451
+H      0.49912375      0.97636211      0.30792179
+H      2.86728613     -0.90550616     -0.46011401
+H      2.76639844      2.01888927      0.52733220
+H      6.41929373     -2.05096760     -1.04952798 
+
+17
+-1731.3195618067675 12.283155 13.18532 -9.3594 -7.146 -9.127 1.2777 -0.293 1.112 8.57541 -0.51884 6.2417776036 6.2417776036 0.393175665
+C      1.73231489      0.35397973     -2.64039366
+C      2.94327870      0.40257412     -1.75942909
+C      3.25824258      1.41603072     -0.94376550
+C      4.45892425      1.45778806     -0.03107237
+O      5.29867294      0.29042693     -0.12544167
+C      5.31614455      2.69612814     -0.18067217
+C      5.23141194      3.59699632     -1.16686949
+H      1.09305612     -0.50731415     -2.38716341
+H      2.01511680      0.22850863     -3.69816186
+H      1.12673799      1.26710807     -2.55374452
+H      3.60469051     -0.47063412     -1.77848013
+H      2.59578356      2.28774968     -0.88291375
+H      4.09056002      1.43187221      1.01292562
+H      5.80796153      0.38441977     -0.95204598
+H      6.09412638      2.79454703      0.58383855
+H      4.47374273      3.52082490     -1.94997941
+H      5.92119451      4.44068396     -1.22091117 
+
+15
+-1573.02400843312 11.92317 13.13441 -9.5481 -7.338 -9.193 1.0635 -0.1578 1.14 8.69847 -0.52617 4.363377305 6.250568211 0.461547654
+C      0.75332939      0.02499182      0.12233556
+C      2.24357405      0.03569329      0.26940004
+C      3.06063233      0.93182490     -0.29423364
+C      4.57147657      0.93543911     -0.12934935
+O      5.08259724     -0.20831680      0.56786318
+C      5.22931655      1.11408213     -1.43209334
+C      5.76077183      1.22600371     -2.51783084
+H      0.40656443     -0.92657721     -0.31184953
+H      0.39914537      0.84385877     -0.51893212
+H      0.26054103      0.11690686      1.10358712
+H      2.68730461     -0.74586408      0.89541529
+H      2.66160388      1.73959858     -0.91694629
+H      4.85125541      1.79202724      0.51230054
+H      5.02302162     -0.96345957     -0.04701946
+H      6.23923570      1.32999125     -3.47027716 
+
+17
+-1728.225833464218 12.657225 13.70844 -8.8119 -6.6877 -9.273 1.6268 0.0456 1.205 8.96991 -0.69655 6.3147557632 6.3147557632 0.525184619
+C      0.62765541     -0.15582249      0.32347676
+C      2.11671827     -0.01941123      0.38508442
+C      2.80697989      1.08096674      0.05869608
+C      4.29749409      1.16349294      0.08743111
+O      4.68586550      2.24724580      0.96146168
+C      6.02328550      2.48776367      1.05236398
+C      7.03348458      1.84131847      0.44814500
+H      0.33175978     -0.96707574     -0.36070669
+H      0.14854689      0.77251995     -0.01603704
+H      0.21637691     -0.41649252      1.31173957
+H      2.67325081     -0.90269308      0.72289798
+H      2.27848003      1.98146287     -0.27326693
+H      4.70318137      1.37165212     -0.92074630
+H      4.74211786      0.21969502      0.44940266
+H      6.19889153      3.32967323      1.72629687
+H      6.89761212      0.99738969     -0.22525623
+H      8.05082946      2.17587454      0.64017707 
+
+15
+-1607.4485141214866 12.043942 12.39634 -9.2706 -7.4402 -9.909 -0.5407 -2.1749 -0.982 9.20673 1.70932 3.2686553166 5.0485363396 0.436681733
+C      0.79100629     -0.11159895     -0.31613416
+C      2.12839038     -0.59863950      0.16424962
+C      2.29295726     -1.80545320      0.74150095
+C      3.25970005      0.37698275      0.00773144
+O      3.01480437      1.53585822     -0.33661062
+C      4.66396102     -0.06838640      0.26485977
+C      5.67860693      0.80696716      0.22428836
+H      0.52752809      0.83365436      0.17802281
+H      0.00682059     -0.85413054     -0.12564786
+H      0.82349702      0.10862503     -1.39322395
+H      1.44432993     -2.47857755      0.87816081
+H      3.25401398     -2.15822527      1.11205293
+H      4.85825869     -1.12181122      0.46858708
+H      5.48009956      1.85932078      0.01083462
+H      6.70904587      0.49730432      0.39833820 
+
+13
+-1447.9971815484987 11.482669 11.99982 -9.6928 -7.8742 -10.118 -0.692 -2.3593 -1.119 9.4467 1.7881 3.2937128872 11.0684533948 0.449175447
+C      0.95509719      0.01190350      0.13899370
+C      2.43284672     -0.08704341     -0.10165988
+C      3.08337690     -1.23801340     -0.35839291
+C      3.18476434      1.20224930     -0.04187032
+O      2.62250157      2.27354097      0.19088475
+C      4.62384220      1.17575602     -0.26680123
+C      5.82510428      1.23346257     -0.44493646
+H      0.48745493      0.68493941     -0.59408679
+H      0.75199527      0.44940669      1.12713099
+H      0.47988143     -0.97455063      0.07704226
+H      2.55402502     -2.19113763     -0.40661706
+H      4.16128789     -1.24937295     -0.52567853
+H      6.88379226      1.29516956     -0.60056853 
+
+17
+-1731.4715791101296 12.109418 12.89925 -9.5829 -7.4019 -9.346 1.1634 -0.2086 1.155 8.98634 -0.62739 6.355088409 6.355088409 0.349725279
+C      2.82775095     -1.63888635      1.07502540
+C      3.36907214     -0.31341741      1.53654695
+C      3.33723162      0.08334771      2.81841962
+C      3.90085117      0.58737622      0.42484191
+O      2.80145346      1.07841269     -0.36507934
+C      4.83243336      1.67534272      0.89781356
+C      4.69677334      2.97583554      0.62186814
+H      2.11562252     -1.49906960      0.24812402
+H      2.32519822     -2.17886295      1.88774654
+H      3.64099732     -2.27550666      0.68921136
+H      2.90347220     -0.55075176      3.59438113
+H      3.73830228      1.04967779      3.12881578
+H      4.46906233     -0.04934537     -0.28006014
+H      2.19303126      1.51927678      0.25747573
+H      5.68561118      1.32600749      1.48894944
+H      3.86777177      3.33886452      0.01139169
+H      5.41935488      3.70909864      0.98120820 
+
+15
+-1572.6811860622036 11.754516 12.56255 -9.6171 -7.4589 -9.348 1.1452 -0.4113 1.069 8.76542 -0.47544 4.3463664258 6.3646601282 0.43442516
+C      0.96991762     -0.00105444      0.29829450
+C      2.43962705     -0.18281489      0.04917866
+C      3.01869967     -1.37507748     -0.14632567
+C      3.29209312      1.08442088      0.00887940
+O      2.85924905      1.99192427     -1.03007011
+C      3.32263935      1.74933839      1.31392629
+C      3.30705412      2.31892913      2.38654386
+H      0.79426837      0.52755385      1.24858920
+H      0.45220805     -0.96749897      0.33661129
+H      0.51225541      0.60106476     -0.50198592
+H      2.43948885     -2.29993270     -0.12033582
+H      4.09024865     -1.46473821     -0.33586297
+H      4.32115837      0.79773117     -0.26477020
+H      2.23304196      2.61856812     -0.62541420
+H      3.31385036      2.81804612      3.33428169 
+
+17
+-1728.189693169029 12.40035 13.16746 -8.896 -6.769 -9.343 1.2573 -0.1371 1.15 8.71915 -0.71403 6.3601222406 6.3601222406 0.451456535
+C      1.81160387     -3.09027851      0.71478258
+C      1.29064301     -1.69284203      0.90073801
+C      0.40035567     -1.35758476      1.84576615
+C      1.85855352     -0.64026994     -0.01263781
+O      1.64360412     -1.04044751     -1.38267184
+C      2.14909846     -0.20664452     -2.33406621
+C      2.81942016      0.94453786     -2.16661705
+H      1.61293601     -3.44298387     -0.30810996
+H      1.34972700     -3.78832753      1.42452222
+H      2.90504227     -3.12238970      0.85274916
+H      0.01534205     -2.09606728      2.55150211
+H      0.03460888     -0.33393795      1.94643202
+H      2.94847986     -0.53435797      0.15227772
+H      1.38284182      0.33881996      0.16419544
+H      1.93049317     -0.60857544     -3.32623560
+H      3.04989121      1.37693009     -1.19495156
+H      3.15169893      1.48254911     -3.05199539 
+
+13
+-1449.023799999968 12.733343 12.47266 -9.4093 -7.523 -9.366 -0.9056 -2.5021 -1.186 8.822 1.77256 3.3243622264 11.2456913818 0.497257174
+C      0.93187834      0.13860808     -0.07207949
+C      2.43151320     -0.03195595     -0.02072118
+C      3.09939000     -1.21818013      0.09288547
+C      2.48335693     -2.53986705      0.18533874
+O      3.13618924     -3.57504556      0.28808157
+C      3.17853007      1.17593455     -0.09932763
+C      3.77310878      2.23613972     -0.16959887
+H      0.60503377      0.78749681      0.75341393
+H      0.39088542     -0.80988767     -0.00960660
+H      0.64889577      0.64640312     -1.00552708
+H      4.19120767     -1.21441711      0.12071739
+H      1.36787252     -2.58375706      0.15867545
+H      4.31635830      3.15772823     -0.22558169 
+
+15
+-1577.2212545763641 12.583857 13.09776 -9.0148 -6.9344 -8.627 0.407 -1.1019 0.468 8.15233 0.12004 4.0683030236 11.2307014744 0.41232913
+C      0.87620795      0.29971874      0.23282325
+C      2.35513347      0.04039703      0.05109573
+C      2.93265881     -1.17865016     -0.10091210
+C      2.24763023     -2.50626498     -0.16697466
+O      2.58021077     -3.21342840     -1.37732202
+C      3.17815409      1.20663832      0.06279022
+C      3.82981743      2.23505191      0.07513684
+H      0.53267323      1.05548489     -0.48801671
+H      0.68288951      0.70584889      1.23704717
+H      0.27334011     -0.60691484      0.10828824
+H      4.01921214     -1.21700396     -0.22100469
+H      1.15423994     -2.41715193     -0.05137893
+H      2.60915230     -3.15783316      0.64496058
+H      2.37796817     -2.61662288     -2.12049585
+H      4.42176184      3.12728051      0.08292292 
+
+17
+-1732.0744783291466 13.267374 13.78645 -8.0206 -6.0276 -8.551 0.8901 0.0283 1.221 8.04973 -0.66992 5.6542823412 5.6542823412 0.534726087
+C      0.27687956     -0.10065388     -0.46336221
+C      1.67121817     -0.57636619     -0.16351309
+C      1.93348975     -2.05195941     -0.26842684
+C      2.61823600      0.31002882      0.18135499
+O      3.91503212     -0.07476437      0.47059692
+C      4.80861961      0.91332458      0.79159801
+C      6.08241720      0.64549326      1.09660817
+H      0.18028522      0.98907606     -0.36139485
+H     -0.45526198     -0.57146864      0.21395045
+H     -0.02160191     -0.37387978     -1.48938025
+H      1.27676168     -2.61312023      0.41683801
+H      2.97400405     -2.30269664     -0.03275645
+H      1.71013098     -2.41467170     -1.28548099
+H      2.42415129      1.38429521      0.25673082
+H      4.40221426      1.93033481      0.77793631
+H      6.46800765     -0.37319356      1.10459166
+H      6.75289635      1.46489165      1.34315933 
+
+15
+-1583.5705016328793 11.252265 12.28014 -9.64 -7.4663 -9.972 0.8956 -0.993 -0.007 9.99737 0.70287 3.7119300638 10.8282305198 0.676025409
+C      0.96681135     -0.02507276      0.02190381
+C      2.51666316      0.00834993      0.00371842
+C      3.07593264     -0.75484022      1.23149592
+C      2.96176008     -0.77565982     -1.24771639
+O      3.62411995     -0.35888483     -2.16984905
+C      3.00576136      1.38317028     -0.01905724
+C      3.40829741      2.52733471     -0.02212996
+H      0.55225249      0.52520704     -0.83261109
+H      0.59885284      0.43820810      0.94687400
+H      0.60537648     -1.06359009     -0.01378468
+H      2.70498892     -0.29076292      2.15486063
+H      4.17320576     -0.72773656      1.24414972
+H      2.74565103     -1.80415609      1.21342389
+H      2.59107561     -1.83631193     -1.22554325
+H      3.76870093      3.53550515     -0.03897474 
+
+19
+-1872.6999989257408 12.528967 13.45679 -8.4345 -6.3599 -9.265 0.8441 -0.0658 1.356 8.77954 -0.84791 6.3547908426 6.3547908426 0.436796791
+C      1.11186384     -0.48032537      0.14058788
+C      2.61159747     -0.77250452      0.08083089
+C      3.09076420     -1.39264327      1.39871433
+C      2.93865852     -1.66356654     -1.12308993
+O      3.20543663      0.56000090     -0.10006966
+C      4.56318817      0.65192775     -0.18781479
+C      5.19079471      1.82183940     -0.37104562
+H      0.78099510      0.00709987     -0.78647541
+H      0.88566203      0.18754377      0.98283207
+H      0.54525386     -1.41264885      0.26913031
+H      2.89186306     -0.70867293      2.23530688
+H      4.16607350     -1.61781778      1.38331985
+H      2.55706412     -2.33537383      1.58541767
+H      2.62001456     -1.17595582     -2.05474046
+H      2.41152180     -2.62414586     -1.03469229
+H      4.01356750     -1.87944660     -1.19577423
+H      5.12430133     -0.28315564     -0.09844482
+H      4.64097413      2.75836349     -0.46113106
+H      6.27640548      1.83997182     -0.43029162 
+
+19
+-1872.730884762576 12.167155 13.11444 -9.5998 -7.4231 -9.554 1.1995 -0.1368 1.265 8.97728 -0.67859 6.6236544836 6.6236544836 0.443791174
+C      0.92935651     -0.19680853      0.09194151
+C      2.45341872     -0.04272637      0.01369751
+C      3.11781643     -0.70560871      1.23833915
+C      2.92753054     -0.76798785     -1.27932039
+O      4.33719490     -0.72235096     -1.51392879
+C      2.89372661      1.40474718     -0.04725706
+C      2.11723910      2.49197674     -0.13293724
+H      0.42718044      0.24420109     -0.78230463
+H      0.53008883      0.28699779      0.99508871
+H      0.65536701     -1.26159373      0.13410044
+H      2.82603527     -0.19293929      2.16609788
+H      4.21270933     -0.67519328      1.15109649
+H      2.81310412     -1.76057572      1.31640802
+H      2.37166358     -0.35850333     -2.14245093
+H      2.67867776     -1.83773826     -1.19255495
+H      4.55413120      0.17035583     -1.83407646
+H      3.98051092      1.54879276     -0.00024714
+H      1.02754268      2.43329398     -0.16301147
+H      2.55478606      3.49091069     -0.16787065 
+
+17
+-1718.7179608621245 11.678485 12.79521 -9.9536 -7.6993 -9.842 0.8677 -0.0307 2.2 9.38949 -1.78513 4.319734233 10.7995277608 0.310290145
+C      0.95648787     -0.00315453     -0.01943986
+C      2.49813215     -0.02300228      0.03656726
+C      2.98565909     -0.76055876      1.30165267
+C      3.03621836     -0.73635729     -1.23855052
+O      4.45421722     -0.74522100     -1.33600750
+C      3.02105800      1.34919251      0.02468513
+C      3.49897290      2.46536013     -0.03510694
+H      0.59782112      0.53121719     -0.90998499
+H      0.54337538      0.49408118      0.86834657
+H      0.56972700     -1.03285390     -0.04841346
+H      2.67261892     -0.22758951      2.20947142
+H      4.07955893     -0.84580169      1.30069829
+H      2.55754683     -1.77381269      1.32645169
+H      2.57524297     -0.26517802     -2.12703739
+H      2.72506676     -1.79211672     -1.20772638
+H      4.74069200      0.18877743     -1.32494085
+H      3.89708451      3.45948795     -0.05808515 
+
+17
+-1749.1198725230292 11.824785 12.79912 -9.1531 -7.2356 -10.421 -0.0813 -1.7739 -0.499 9.35167 1.11294 3.5188714632 5.7183087116 0.383700063
+C      1.13566399     -0.93621405      0.11217264
+C      2.47440219     -0.25224834     -0.15494642
+C      3.26107108     -0.95426800     -1.28258356
+C      2.30233621      1.22474167     -0.51621158
+O      1.22952043      1.68612797     -0.89245079
+C      3.53021558      2.07612054     -0.40152171
+C      3.50867473      3.38187064     -0.70300322
+H      0.59616103     -0.45018144      0.93610863
+H      1.29056454     -1.99256518      0.37319973
+H      0.49125492     -0.88631972     -0.77619556
+H      3.09762898     -0.28490934      0.75828962
+H      2.67788331     -0.94562564     -2.21524776
+H      3.45576205     -2.00138277     -1.01072105
+H      4.22784895     -0.47103804     -1.48263109
+H      4.44766927      1.59810090     -0.04582200
+H      2.58019613      3.83976180     -1.05214964
+H      4.39406661      4.01104899     -0.60882626 
+
+15
+-1588.5601494497596 11.33927 12.42788 -9.6516 -7.7605 -10.67 -0.1061 -1.8669 -0.532 9.6261 1.1589 3.566023339 10.7732427288 0.193436146
+C      1.07313497     -0.00454714      0.19035817
+C      2.59058965     -0.03079421     -0.08505779
+C      2.93496209     -0.78854417     -1.36578657
+C      3.13610527      1.39622697     -0.11702627
+O      3.61125109      1.92393808     -1.11615736
+C      3.06251941      2.13063568      1.14011794
+C      3.01943253      2.74050151      2.19130566
+H      0.83567231      0.53914883      1.11485101
+H      0.69432815     -1.03125668      0.28960343
+H      0.53876472      0.47710193     -0.64215847
+H      3.07641789     -0.51714705      0.78138873
+H      2.46679824     -0.31341464     -2.23898735
+H      2.57343424     -1.82396971     -1.29821178
+H      4.01828884     -0.80750383     -1.54288968
+H      2.98980060      3.29487441      3.10816033 
+
+19
+-1874.652821080705 12.163136 13.24995 -9.6931 -7.4689 -9.632 1.0206 -0.1101 1.227 9.09688 -0.65508 6.6537458858 6.6537458858 0.460064182
+C      0.82724696     -0.20205887      0.03421809
+C      2.35497389     -0.13734818     -0.08658374
+C      2.87067602     -1.09339791     -1.16678226
+C      2.86133810      1.30918520     -0.34249081
+O      2.38730583      1.84581832     -1.58235347
+C      2.59522682      2.21650379      0.83370982
+C      2.10228505      3.45758835      0.76131663
+H      0.44571909      0.48619694      0.80250191
+H      0.50285385     -1.21873855      0.29849396
+H      0.34275090      0.04801864     -0.92360984
+H      2.78964865     -0.44131107      0.88359860
+H      2.51127355     -0.78412731     -2.15913580
+H      2.52475799     -2.12056776     -0.98080994
+H      3.97059520     -1.10703460     -1.19790322
+H      3.95767388      1.24627670     -0.47801448
+H      1.43440071      2.02065197     -1.47105698
+H      2.84345264      1.79135053      1.81317201
+H      1.87081854      3.92301405     -0.19907260
+H      1.93561233      4.05286976      1.65970211 
+
+17
+-1717.0787846658432 11.771359 12.99353 -10.057 -7.772 -9.978 1.0297 -0.0742 2.049 9.56249 -1.66301 4.3563472988 10.6643954194 0.260990709
+C      0.92580548     -0.05196444      0.02897815
+C      2.45558774     -0.07348744     -0.04037297
+C      2.94796498     -0.82791995     -1.27992297
+C      3.01247187      1.37525186     -0.00822815
+O      2.52684795      2.12483062      1.12290152
+C      4.47632190      1.41045229     -0.05628110
+C      5.69029921      1.43498864     -0.02690692
+H      0.57194930      0.51085214      0.90190205
+H      0.53017570     -1.07593304      0.08864765
+H      0.50177913      0.41783642     -0.87336923
+H      2.84759387     -0.58191859      0.85979062
+H      2.59805818     -0.33618592     -2.20207162
+H      2.55523168     -1.85470182     -1.28389259
+H      4.04442771     -0.88025405     -1.31721797
+H      2.61576805      1.91196554     -0.88960757
+H      3.08927097      1.88905528      1.88295066
+H      6.76082625      1.46846247     -0.01888954 
+
+19
+-1871.9941929216232 12.358921 13.52833 -8.7501 -6.6877 -9.459 0.9131 0.0073 1.213 8.98621 -0.72704 6.4042116622 6.4042116622 0.35723966
+C      0.78107375     -0.25273865      0.25984235
+C      2.28016469     -0.35181944     -0.04648574
+C      2.54171494     -1.14323673     -1.33234957
+C      2.87441837      1.05244333     -0.11859947
+O      4.30053318      0.95441250     -0.26875563
+C      4.97822101      2.13001166     -0.38399103
+C      4.48931530      3.38056987     -0.37168232
+H      0.59105810      0.28622245      1.20005360
+H      0.33644562     -1.25387236      0.35059739
+H      0.24661095      0.27447881     -0.54677537
+H      2.77541347     -0.87141546      0.79296730
+H      2.05113331     -0.66014342     -2.19314558
+H      2.14406059     -2.16524858     -1.25034794
+H      3.61650840     -1.20893291     -1.54712067
+H      2.64733444      1.62282516      0.80052325
+H      2.45502350      1.60693551     -0.98013074
+H      6.04634922      1.92900329     -0.49592137
+H      3.43265763      3.61533731     -0.26008818
+H      5.18441353      4.21065765     -0.47921028 
+
+17
+-1741.2120595455872 11.841175 12.8141 -9.3994 -7.2224 -9.812 1.051 -0.8988 -0.04 9.96236 0.67408 3.6432914142 6.6163145124 0.437172744
+C      1.02884900     -0.03242331      0.06878944
+C      2.54734874      0.07565912     -0.15562410
+C      2.94747323     -0.72935506     -1.41942588
+C      4.43866502     -0.82042228     -1.63168491
+O      5.04674020     -1.86276145     -1.80090598
+C      2.96105358      1.52134133     -0.25421950
+C      3.77658858      2.15607198      0.59506013
+H      0.73406187      0.49546563      0.98607857
+H      0.71908041     -1.08370774      0.15804890
+H      0.47463450      0.41332083     -0.77197571
+H      3.05885465     -0.37363582      0.71374103
+H      2.51778809     -0.22727645     -2.30728389
+H      2.53917107     -1.74960372     -1.37976848
+H      4.98140897      0.15942830     -1.62287571
+H      2.51943706      2.08173681     -1.08920920
+H      4.23697374      1.63757807      1.44017177
+H      4.01294128      3.21424377      0.47484352 
+
+15
+-1584.9142460080207 11.310094 12.46867 -9.5786 -7.3741 -10.109 1.0127 -0.9774 -0.073 10.05414 0.71387 3.6424855052 10.4639348546 0.252593018
+C      0.96577945     -0.00908892      0.15947702
+C      2.49992606     -0.00144020      0.01259444
+C      2.93400980     -0.78583894     -1.25359462
+C      4.43167788     -0.92374968     -1.39934380
+O      4.99829485     -1.96770736     -1.66840242
+C      3.01821675      1.36741261      0.00628471
+C      3.42236010      2.51238299     -0.00512450
+H      0.66234599      0.52169150      1.07102387
+H      0.59469283     -1.04188626      0.21537820
+H      0.49311150      0.48670999     -0.69989179
+H      2.92820483     -0.51740877      0.89117215
+H      2.56463883     -0.24228760     -2.14188555
+H      2.48678120     -1.78985564     -1.25638548
+H      5.01170538      0.02133261     -1.24596532
+H      3.78340456      3.52068367     -0.01242690 
+
+19
+-1872.519371465577 12.321295 13.49674 -9.651 -7.4366 -9.53 0.9922 -0.0721 1.286 8.9611 -0.70967 6.6228113788 6.6228113788 0.44390292
+C      1.17673923      0.17530579      0.32559615
+C      2.64475126      0.28067427     -0.12449821
+C      2.81992211     -0.30575039     -1.54166387
+C      4.27439160     -0.38322979     -2.00258796
+O      4.41437345     -0.90231872     -3.33126865
+C      3.10967167      1.71260765     -0.05996044
+C      4.07271294      2.18405318      0.73976569
+H      1.05226837      0.54839507      1.35157004
+H      0.83007711     -0.86832383      0.29226777
+H      0.52119327      0.76856390     -0.33085720
+H      3.26478460     -0.31067250      0.57440248
+H      2.24644988      0.29474769     -2.26887342
+H      2.38212215     -1.32061783     -1.55567488
+H      4.86729203     -0.97938248     -1.28116154
+H      4.72060894      0.62123964     -2.03353296
+H      4.06144530     -1.80952255     -3.33223633
+H      2.58517644      2.40712364     -0.73005837
+H      4.61923331      1.52693857      1.42179860
+H      4.34807635      3.23980870      0.74157311 
+
+17
+-1715.6831602759057 11.7088 12.98458 -9.8828 -7.55 -9.894 0.8755 -0.0805 2.254 9.45525 -1.80937 4.3401671258 10.367275369 0.336589318
+C      1.13698725     -0.10428699      0.70362914
+C      2.50854453     -0.00467662      0.00343302
+C      2.50934881     -0.62228762     -1.41892377
+C      1.58090585      0.06585220     -2.41999584
+O      1.64574355     -0.53489295     -3.72046046
+C      3.00106858      1.37479757     -0.00437465
+C      3.40894815      2.51901457     -0.00632253
+H      1.21084812      0.23782341      1.74406408
+H      0.78779933     -1.14686722      0.70402972
+H      0.38320779      0.51585059      0.20081992
+H      3.22704908     -0.59573292      0.59966917
+H      2.22906238     -1.68494368     -1.34171151
+H      3.54055801     -0.58710212     -1.80920117
+H      1.80984021      1.14580655     -2.46687455
+H      0.52986864     -0.03702212     -2.11330793
+H      2.54064807     -0.38085676     -4.07105155
+H      3.76827164      3.52777409     -0.00300108 
+
+13
+-1452.8021248538946 11.938298 12.7288 -9.4358 -7.6108 -9.987 -0.5294 -2.1863 -1.01 9.20408 1.68091 3.2926466076 10.165364168 0.410944181
+C      1.00062989      0.02787259      0.00122710
+C      2.45085893      0.05427680      0.00404369
+C      3.66995823      0.04966311      0.00413183
+C      5.11764180     -0.03326933     -0.00234909
+O      5.69055495     -1.12251021     -0.09406192
+C      5.88766038      1.23180203      0.10319493
+C      5.33079777      2.44769207      0.20619399
+H      0.57500082      1.04127611      0.01297586
+H      0.62463031     -0.51249730      0.88261080
+H      0.62610563     -0.49321801     -0.89215097
+H      6.97139264      1.09173752      0.09108613
+H      4.24536656      2.56781583      0.21653822
+H      5.94042209      3.34870878      0.28157942 
+
+11
+-1289.2448618602223 11.837476 12.81314 -9.8736 -7.8779 -9.938 -0.8181 -2.4927 -1.016 9.45577 1.66632 3.3155592204 10.3526946154 0.535982658
+C      1.00064677      0.02602464      0.00018537
+C      2.44895468      0.01649406      0.00009868
+C      3.66826769     -0.00768043      0.00002490
+C      5.10864621     -0.06125881     -0.00006504
+O      5.74292192     -1.11745760     -0.00017395
+C      5.77211889      1.23028071     -0.00001627
+C      6.35105034      2.29935602      0.00002399
+H      0.60462305      1.05125759      0.01155174
+H      0.61249159     -0.50575601      0.88147771
+H      0.61286518     -0.48556898     -0.89316606
+H      6.86570369      3.23933881      0.00005894 
+
+15
+-1576.582757216997 12.333185 13.73369 -9.6152 -7.3869 -9.168 1.2037 -0.3745 1.053 8.77138 -0.4936 4.1300852474 6.5099841188 0.396594975
+C      0.96064714     -0.00644606     -0.01027267
+C      2.41474031      0.00927995     -0.00936564
+C      3.63170908      0.01047197      0.00782994
+C      5.09450012      0.04370916     -0.02904126
+O      5.61995528     -0.75263354     -1.11972485
+C      5.60198004      1.46668366     -0.10254029
+C      6.41967050      2.01082809      0.80311336
+H      0.55146656      1.01469465     -0.01494610
+H      0.57039197     -0.52344974      0.87876651
+H      0.57254482     -0.52797203     -0.89781181
+H      5.49743805     -0.42856407      0.88303378
+H      5.03033628     -0.61117106     -1.88278350
+H      5.26091230      2.04376866     -0.96819250
+H      6.76180039      1.44439037      1.67290931
+H      6.77382716      3.03813999      0.70985572 
+
+13
+-1416.6513762588866 11.665342 13.3312 -9.8502 -7.5577 -9.281 1.0721 -0.339 1.761 8.91727 -1.46367 4.1516960072 10.3004097192 0.371469791
+C      0.93513539     -0.02456723      0.01468775
+C      2.38835976      0.00381491     -0.00019318
+C      3.60361649      0.02435549     -0.00953674
+C      5.07121781      0.03142068     -0.05328122
+O      5.59446485     -0.68997067     -1.18689629
+C      5.59484411      1.40589673      0.01152327
+C      6.04331653      2.53252321      0.04634904
+H      0.51683093      0.98894683     -0.07309968
+H      0.55831219     -0.46792219      0.94815565
+H      0.54644946     -0.62418291     -0.82176886
+H      5.45804141     -0.52654370      0.81788142
+H      5.25233714     -0.24369617     -1.98436105
+H      6.43977392      3.52686500      0.07894991 
+
+15
+-1572.8056199189828 12.362956 13.95233 -8.9516 -6.8288 -9.326 0.8228 -0.0315 1.144 9.03961 -0.63107 4.1892761638 10.2246542732 0.743202279
+C      0.97388173     -0.02735522     -0.00703396
+C      2.42734251      0.00229658      0.00462362
+C      3.64135760      0.04344641      0.01716290
+C      5.09314923      0.04187537      0.01442707
+O      5.58331130      1.32030366      0.47662192
+C      6.94054076      1.43987590      0.51913230
+C      7.87358221      0.53252653      0.18945132
+H      0.56522882      0.99386526      0.01002549
+H      0.57597863     -0.56453757      0.86646944
+H      0.59500103     -0.52330460     -0.91290404
+H      5.48122963     -0.14620462     -1.00390358
+H      5.48396995     -0.75415960      0.67510661
+H      7.20478648      2.43625810      0.88036297
+H      7.64973807     -0.46848437     -0.17372949
+H      8.92123204      0.80857816      0.28895743 
+
+17
+-1728.6771814091112 13.379975 14.0919 -8.2136 -6.2174 -8.789 1.073 0.0538 1.161 8.34027 -0.64488 5.8100583516 5.8100583516 0.587491579
+C      2.41295460     -1.81259778      0.55127092
+C      3.34501779     -0.88517801     -0.24395790
+C      2.95872111      0.56146256     -0.14675788
+C      3.76123236      1.50483074      0.35801985
+O      3.36658266      2.82404754      0.43991781
+C      4.27433992      3.72657080      0.93555980
+C      3.98072255      5.02417891      1.06064321
+H      2.70584467     -2.86530237      0.42836735
+H      1.37139085     -1.71200929      0.21117184
+H      2.43840814     -1.57052344      1.62341167
+H      3.33301945     -1.19545382     -1.30394955
+H      4.38363068     -1.01480836      0.10179244
+H      1.96428136      0.85478229     -0.49699592
+H      4.76899528      1.29339908      0.73247668
+H      5.24535488      3.30342508      1.21379409
+H      3.00638284      5.41812191      0.77483589
+H      4.73096085      5.70412417      1.45626972 
+
+17
+-1731.3261782515606 12.577266 13.25488 -8.6142 -6.5775 -9.005 1.2764 -0.097 1.089 8.447 -0.64901 5.9615072506 5.9615072506 0.376982647
+C      2.30482565     -0.89647059     -1.04394097
+C      2.11248209      0.08534914      0.12138212
+C      2.35979710      1.51831523     -0.25518432
+C      1.44553091      2.50143748     -0.23772957
+O      3.69009334      1.70372443     -0.60695108
+C      4.01714035      2.79693165     -1.37720545
+C      5.22838501      3.35635358     -1.31940551
+H      2.14671677     -1.93052766     -0.70739095
+H      3.32096063     -0.82483046     -1.45494448
+H      1.59233018     -0.68866528     -1.85505303
+H      2.80533252     -0.17729500      0.93887954
+H      1.09446265      0.00798239      0.52782205
+H      0.41981814      2.26912368      0.04095789
+H      1.69130226      3.53766289     -0.46360259
+H      3.23055520      3.11954102     -2.06663000
+H      5.98188287      3.01527723     -0.60995983
+H      5.47812433      4.16236026     -2.00609384 
+
+15
+-1584.6555099925374 11.259912 12.40422 -9.7052 -7.5386 -10.194 0.8174 -1.132 -0.154 10.03163 0.82297 3.6561239652 10.6989007232 0.523271535
+C      2.75762541     -1.08529926     -0.54503197
+C      2.44020891      0.03580011      0.44184063
+C      3.02850945      1.39660827      0.02257687
+C      2.51338854      2.56536845      0.88440443
+O      1.58787134      2.48068648      1.66252962
+C      4.48748808      1.43323651     -0.00369109
+C      5.69982868      1.49327521      0.02808075
+H      2.32309884     -2.03541268     -0.20481050
+H      3.84211799     -1.22981822     -0.65293713
+H      2.34572571     -0.86946975     -1.54283741
+H      2.82440684     -0.21208390      1.44304381
+H      1.35387260      0.16654148      0.55042786
+H      2.66972665      1.64128845     -1.00039778
+H      3.06142216      3.52638850      0.72335056
+H      6.77006880      1.53147035      0.04375135 
+
+21
+-2020.8804460228027 12.16404 13.69221 -9.8322 -7.7075 -11.741 0.8202 -0.1524 2.702 11.27281 -2.36933 9.3914187588 10.295921426 0.115503899
+C      0.93130733     -0.13152597     -0.45536192
+C      2.45688097     -0.02472739     -0.43923106
+C      3.02732158      1.41129755     -0.36701584
+C      2.54668502      2.27155214     -1.53683708
+O      2.52754620      2.08135251      0.81921875
+C      4.57096045      1.32750836     -0.31272699
+C      5.30318147      2.66436252     -0.18732914
+H      0.61745747     -1.18127642     -0.36681632
+H      0.50186310      0.26039689     -1.38818256
+H      0.48940640      0.42904485      0.38039021
+H      2.87853354     -0.52276792     -1.32886609
+H      2.85222900     -0.58100430      0.43052383
+H      2.87510901      1.84251500     -2.49417875
+H      2.94315066      3.29158480     -1.45476458
+H      1.45143286      2.34089574     -1.54051799
+H      2.81729085      1.55934115      1.58919676
+H      4.92222735      0.78863865     -1.20911412
+H      4.83674999      0.68429632      0.54624625
+H      5.20388933      3.27419455     -1.09641306
+H      6.37711578      2.50125412     -0.01884386
+H      4.91001163      3.25019682      0.65541357 
+
+19
+-1876.6912187698508 12.141019 13.18621 -9.6734 -7.484 -9.545 0.8791 -0.0648 1.276 8.98229 -0.69384 6.6290850704 6.6290850704 0.449612246
+C      2.93522623     -1.07154764      0.69605003
+C      2.69056550     -0.09235997     -0.45363288
+C      3.07982036      1.37751311     -0.15087205
+C      2.70532609      2.27083397     -1.34135826
+O      2.31080615      1.88439350      0.95554004
+C      4.57210230      1.48081410      0.10599201
+C      5.14238858      2.10038818      1.14413668
+H      2.65309061     -2.09237015      0.40256145
+H      2.32997114     -0.82055284      1.58148901
+H      3.99209122     -1.08818596      1.00059377
+H      1.62349926     -0.09700195     -0.72820153
+H      3.25077964     -0.42079988     -1.34515020
+H      3.26126280      1.97562813     -2.24165787
+H      2.94114888      3.31776864     -1.11020486
+H      1.62877912      2.18541819     -1.54656730
+H      2.53486354      1.34274588      1.73356215
+H      5.20508270      1.00491937     -0.65230668
+H      4.54048277      2.60361632      1.90389436
+H      6.22689312      2.13882897      1.25381211 
+
+17
+-1718.3177664308084 11.759156 13.05318 -10.0341 -7.7831 -9.898 0.8857 -0.1203 2.098 9.45849 -1.70523 4.3536072082 10.6041258248 0.494950838
+C      0.97564809     -0.16535828      0.04311550
+C      2.49733241     -0.02805960     -0.00402994
+C      3.01121213      1.43858100      0.00622983
+C      2.47063840      2.25895761     -1.17261217
+O      2.55395971      2.12886587      1.19640865
+C      4.48326451      1.42162531     -0.01932145
+C      5.69729368      1.38685007     -0.00457233
+H      0.69450033     -1.22021139      0.16902927
+H      0.50002720      0.19246311     -0.88085805
+H      0.55615322      0.40254429      0.88501232
+H      2.90587661     -0.52666806     -0.89770734
+H      2.94770425     -0.53813543      0.86350255
+H      2.72345458      1.77668785     -2.12558997
+H      2.90657751      3.26504701     -1.15475351
+H      1.38002275      2.34830073     -1.09021278
+H      3.06363442      1.77518856      1.94752481
+H      6.76825021      1.37058133      0.00241462 
+
+19
+-1872.09187281443 12.216012 13.32896 -8.6984 -6.5864 -9.359 0.9124 0.0102 1.234 8.8792 -0.73483 6.3286917896 6.3286917896 0.334556213
+C      1.42742193      0.17129698     -1.86872696
+C      0.81788925      0.45124659     -0.49363008
+C      1.72558201      1.27060473      0.42507955
+C      1.99755501      2.68653023     -0.07430524
+O      1.04243185      1.32089911      1.70801078
+C      1.79250767      1.52506859      2.82557932
+C      3.12023828      1.68822287      2.95023279
+H      0.76996649     -0.48448910     -2.45601043
+H      2.40268187     -0.33217590     -1.78065350
+H      1.57642539      1.09208333     -2.45062934
+H      0.59745479     -0.49891081      0.01754801
+H     -0.14266938      0.98195237     -0.60107406
+H      2.67594036      0.72335865      0.56550666
+H      1.04829770      3.20508325     -0.27501813
+H      2.58707613      2.66751732     -1.00138909
+H      2.55729593      3.26564931      0.67132706
+H      1.13811780      1.53637712      3.70107135
+H      3.81736145      1.69956115      2.11458606
+H      3.53068547      1.81677422      3.94968526 
+
+19
+-1875.7419767380052 12.414882 13.54182 -9.1114 -6.9947 -8.924 0.9396 -0.1135 1.295 8.33932 -0.61428 6.0502440308 6.0502440308 0.353631922
+C      1.60222012     -0.07398155      1.40021494
+C      2.21195261      0.28939600      0.03645964
+C      2.91612945      1.62993540      0.02436103
+C      2.01919722      2.84377271      0.02089223
+O      1.25761672      2.95611165     -1.20078747
+C      4.26269145      1.70496781     -0.00599912
+C      5.13844641      2.92273436     -0.01591496
+H      1.10678680     -1.05480340      1.35358735
+H      0.84664582      0.65921742      1.71904717
+H      2.37793125     -0.11934327      2.17894345
+H      1.41158870      0.30218328     -0.72167497
+H      2.92413141     -0.49465922     -0.26422336
+H      2.58887826      3.76863315      0.20807354
+H      1.26002232      2.76530840      0.81405526
+H      1.90020121      2.93696025     -1.93289086
+H      4.80907321      0.75315274     -0.02075784
+H      4.58045118      3.86357805     -0.10130255
+H      5.85350329      2.87606018     -0.85264060
+H      5.74396257      2.97613602      0.90370713 
+
+19
+-1874.154370243287 12.21503 13.31527 -9.7561 -7.5462 -9.581 1.3718 -0.1959 1.21 9.01532 -0.63129 6.5935258856 6.5935258856 0.432885293
+C      2.85348908     -0.98390290     -0.56264414
+C      2.61315757     -0.02939563      0.60844355
+C      3.32370792      1.32903442      0.45613514
+C      2.90305401      2.28868458      1.59081432
+O      3.43057831      3.60364505      1.43966532
+C      4.82138887      1.19086637      0.46116518
+C      5.66116624      1.78476970     -0.39785769
+H      2.32804956     -1.93732023     -0.41051822
+H      3.92341713     -1.20432796     -0.68930303
+H      2.49236323     -0.54926406     -1.50717008
+H      2.94429328     -0.50297510      1.54954292
+H      1.53104028      0.15206304      0.72051931
+H      3.01347113      1.79636654     -0.49575656
+H      3.19408252      1.85035358      2.56710810
+H      1.80796007      2.39956838      1.58913574
+H      4.38734817      3.50420122      1.26863402
+H      5.23728075      0.58687765      1.27940097
+H      5.28939884      2.38936870     -1.22928865
+H      6.74318305      1.67218665     -0.30961618 
+
+17
+-1718.3304970755303 11.713135 12.97039 -9.9876 -7.6951 -9.885 0.9364 -0.0594 2.186 9.44233 -1.76308 4.323825771 10.3273766742 0.34465347
+C      2.81337650     -0.88681299     -1.14154663
+C      2.44538020     -0.02254216      0.06375083
+C      2.99504479      1.41926905     -0.01439787
+C      2.48507416      2.27705036      1.16853886
+O      2.92969730      3.62620949      1.11754075
+C      4.45660862      1.45966374     -0.04323302
+C      5.66893071      1.54224699     -0.01009786
+H      2.39716741     -1.89880993     -1.03996100
+H      3.90407096     -0.97786457     -1.24441985
+H      2.42238434     -0.45543636     -2.07549668
+H      2.81554371     -0.49097225      0.99016107
+H      1.34876713      0.04312235      0.15700481
+H      2.62659990      1.89018152     -0.94444249
+H      2.78192974      1.78841697      2.11640518
+H      1.38617192      2.31556026      1.13266477
+H      3.90505359      3.60010941      1.07229561
+H      6.73894903      1.59059811     -0.00674649 
+
+19
+-1894.6191489013627 11.695472 13.31093 -9.1585 -7.1549 -10.571 1.2389 -0.4776 0.291 9.58726 0.4609 3.7475264444 11.1885462344 0.261176088
+C      1.37199267     -0.50347814      1.61987162
+C      1.61202746     -0.17652885      0.14377933
+C      3.02421813      0.34067874     -0.13642211
+C      4.12190506     -0.71497952     -0.02902972
+O      3.87865752     -1.91249441     -0.08518706
+C      5.54186884     -0.18718270      0.13006576
+C      6.62415610     -1.25288555      0.00149933
+H      0.34442975     -0.85788988      1.78403724
+H      1.52320486      0.38363034      2.25496097
+H      2.05413077     -1.29260495      1.96642388
+H      0.88575702      0.58049452     -0.19202513
+H      1.44202548     -1.07721467     -0.46577852
+H      3.27790418      1.19517007      0.51484954
+H      3.09162354      0.73375922     -1.16791530
+H      5.58393242      0.30210058      1.12060477
+H      5.68788827      0.63422838     -0.59318369
+H      6.47215294     -2.05423510      0.73641682
+H      7.62022368     -0.81810356      0.15921039
+H      6.60324131     -1.71804451     -0.99359812 
+
+17
+-1749.4043337889245 11.844539 12.98611 -9.2674 -7.3462 -10.548 -0.054 -1.8032 -0.74 9.39786 1.29458 3.4175377054 5.7752926772 0.498100176
+C      1.06022031     -0.30566420      0.07698051
+C      2.57529096     -0.49984842      0.14687020
+C      3.34387918      0.77287590     -0.20311211
+C      4.85843598      0.61726935     -0.14156976
+O      5.38714796     -0.44906211      0.16648764
+C      5.72314609      1.78763385     -0.46185956
+C      5.29388113      3.00864673     -0.81559149
+H      0.52915660     -1.23303121      0.33451128
+H      0.73766838     -0.00873714     -0.93317636
+H      0.72106272      0.47519716      0.77546033
+H      2.88753399     -1.30688630     -0.53342684
+H      2.87053787     -0.83249075      1.15371487
+H      3.05511389      1.59791236      0.47283857
+H      3.07461279      1.12167933     -1.21640033
+H      6.79254211      1.57102775     -0.38608390
+H      4.23296643      3.25166330     -0.89922440
+H      5.99818361      3.81254441     -1.03503864 
+
+15
+-1588.580244979123 11.489108 12.891 -9.737 -7.8368 -10.741 -0.0432 -1.8445 -0.564 9.67219 1.18642 3.566271311 11.5426378518 0.473504892
+C      1.68951173     -0.71487267      0.20433293
+C      3.17638425     -0.43130894     -0.01428916
+C      3.50373947      1.05579250      0.09265173
+C      4.96985398      1.39043325     -0.11016041
+O      5.84000652      0.55319866     -0.32120239
+C      5.30044605      2.80744907     -0.03751054
+C      5.56783771      3.99188295      0.02489432
+H      1.47566767     -1.78959238      0.12100775
+H      1.06672482     -0.19334160     -0.53874582
+H      1.35979376     -0.38656552      1.20208616
+H      3.49342446     -0.79859397     -1.00248052
+H      3.78263431     -0.98648403      0.71772185
+H      3.20925738      1.46357599      1.07731386
+H      2.92606066      1.65066131     -0.63825479
+H      5.82299721      5.03167539      0.07675503 
+
+21
+-2020.1078007529893 12.383119 14.26271 -9.9179 -7.7492 -11.834 0.884 -0.0669 2.835 11.36811 -2.5594 9.63619192 9.63619192 0.092984727
+C      0.94845895     -0.04550975      0.00629880
+C      2.47728145     -0.01284811      0.04017611
+C      3.04582129      1.40630793     -0.04219568
+C      4.57712553      1.46971884     -0.07192069
+O      5.11416884      0.75715813     -1.20508148
+C      5.10118757      2.91028503     -0.01443043
+C      6.62506701      3.00754098      0.06392369
+H      0.56617999     -1.07439514      0.07148937
+H      0.56142344      0.39429838     -0.92625753
+H      0.51562853      0.52440968      0.84340119
+H      2.88724693     -0.61190153     -0.78797261
+H      2.83779320     -0.48966665      0.96823453
+H      2.68443943      2.00037964      0.81600651
+H      2.65451097      1.91260331     -0.94641974
+H      4.97474524      0.91292485      0.79614486
+H      4.78725828      1.20748399     -2.00619014
+H      4.64562583      3.41199026      0.85612591
+H      4.73147555      3.45246495     -0.90508416
+H      7.00262408      2.54132630      0.98692333
+H      6.95833759      4.05488376      0.05771513
+H      7.09554029      2.49094516     -0.78385696 
+
+19
+-1873.8331315873004 12.245995 13.59622 -9.802 -7.5927 -9.841 1.2363 -0.2956 1.139 9.29721 -0.57186 6.7370520792 6.7370520792 0.409273611
+C      1.15673201     -0.78995353      0.67503379
+C      2.65344588     -0.80908679      0.36126330
+C      3.21502022      0.58441429      0.06524425
+C      4.70374894      0.57722155     -0.28927520
+O      4.97994560     -0.24899145     -1.44708481
+C      5.32915812      1.93401113     -0.49715250
+C      4.72009687      3.12329944     -0.41695261
+H      0.77946799     -1.80038048      0.88825236
+H      0.57710700     -0.39067653     -0.17176894
+H      0.93741269     -0.16034236      1.55145705
+H      2.85124864     -1.46608751     -0.49972858
+H      3.20374719     -1.24552549      1.21266953
+H      3.06475331      1.23313898      0.94537435
+H      2.64804137      1.04538977     -0.76405728
+H      5.25387744      0.06847035      0.52357149
+H      4.65323851      0.24288707     -2.22335174
+H      6.38870116      1.89040672     -0.77233326
+H      3.66675274      3.22377375     -0.14809128
+H      5.26603433      4.04742108     -0.61251991 
+
+17
+-1716.6113446921293 11.806943 13.17435 -10.1186 -7.8104 -9.987 1.0372 -0.0851 2.065 9.57991 -1.67945 4.3647783468 10.5168148836 0.366050987
+C      1.17089006     -0.41377889      0.14218582
+C      2.67836972     -0.19180633      0.00304926
+C      3.07612362      1.27556006      0.18264030
+C      4.58506408      1.54242095      0.02493184
+O      4.87747718      2.95252752     -0.00541002
+C      5.37640091      0.85839536      1.05219363
+C      6.01064143      0.32829457      1.94210062
+H      0.90933458     -1.47277961      0.00643585
+H      0.60984248      0.16777108     -0.60520698
+H      0.81430841     -0.10701950      1.13732506
+H      3.01226462     -0.53930750     -0.99005401
+H      3.21516564     -0.80806794      0.74228826
+H      2.75820862      1.63238025      1.17765410
+H      2.56688091      1.90422154     -0.56542877
+H      4.90533872      1.17546542     -0.96592942
+H      4.82075564      3.27706161      0.91196173
+H      6.58536338     -0.14337859      2.71310274 
+
+19
+-1871.2366603614666 12.449583 13.91081 -8.8384 -6.6784 -9.461 0.9398 0.0294 1.213 8.99056 -0.72878 6.4071129346 6.4071129346 0.358154428
+C      0.87191639     -2.34999997     -1.44151973
+C      2.03885799     -1.88599036     -0.56791706
+C      1.86754506     -0.45060949     -0.06165154
+C      3.01771909     -0.01806745      0.83215967
+O      2.79007740      1.33952047      1.24777142
+C      3.72824610      1.88214900      2.07258284
+C      4.84875875      1.31664160      2.55000394
+H      1.02016419     -3.38005109     -1.79539505
+H      0.75671469     -1.70511309     -2.32602910
+H     -0.07664249     -2.32048103     -0.88391862
+H      2.98027623     -1.96302549     -1.13897537
+H      2.14709950     -2.56826989      0.29299260
+H      0.92326881     -0.36059782      0.50046458
+H      1.79583041      0.24313765     -0.91561555
+H      3.98236916     -0.07607438      0.29484201
+H      3.08811994     -0.66359945      1.72713728
+H      3.44768343      2.90790925      2.32325004
+H      5.15832599      0.29901691      2.32004251
+H      5.48841935      1.90451464      3.20502512 
+
+13
+-1420.8116132566204 10.332061 10.74707 -9.7147 -7.5602 -10.445 -0.5473 -2.358 -1.344 10.20984 1.91404 3.4265514876 5.289056781 0.431612093
+C      0.96754921      0.05916054     -0.10800737
+C      2.30658258      0.10286463      0.03745316
+C      3.20544185     -1.10572130     -0.02669926
+C      3.79828507     -1.28534808     -1.41887038
+O      3.69225270     -2.30555167     -2.06997075
+C      2.93895692      1.42705032      0.24594007
+O      4.14259164      1.59944976      0.37231667
+H      0.37620161      0.97669461     -0.06177241
+H      0.42923553     -0.87564866     -0.27006007
+H      2.67503602     -2.02547848      0.24863372
+H      4.05574668     -0.94318840      0.65811710
+H      4.35302116     -0.39883992     -1.81241801
+H      2.22221903      2.28547663      0.28406755 
+
+13
+-1422.969026495059 12.33995 11.7209 -8.6496 -6.6835 -8.647 0.2875 -1.3947 -0.379 10.58404 1.16141 4.351598635 5.1603221172 0.518293447
+C      3.21390099     -2.36389439      1.30193113
+C      3.58233324     -1.07627306      1.15574101
+C      3.03193047     -0.18317474      0.15936225
+C      3.41708253      1.09996742      0.04148365
+O      2.83825286      1.89620031     -0.93739986
+C      3.26214895      3.19968046     -1.02209517
+O      4.09665064      3.72561721     -0.32442963
+H      3.65667173     -2.99766626      2.06953634
+H      2.45854854     -2.81540340      0.65500074
+H      4.34328677     -0.65869170      1.82350471
+H      2.26948581     -0.57068753     -0.52258356
+H      4.16494282      1.59632280      0.66018958
+H      2.70213465      3.68129289     -1.84390118 
+
+13
+-1419.4892262731203 11.096143 11.02516 -9.0521 -7.0085 -8.84 0.3224 -1.3366 -0.298 10.44341 1.05301 4.2397384658 5.2901354592 0.68784289
+C      0.66469322     -1.16147915     -1.45569963
+C      0.73799408      0.00731804     -0.79783412
+C      1.96342581      0.71510912     -0.43597867
+C      1.96546709      1.88759911      0.22809392
+O      3.10138532      0.01595713     -0.87508203
+C      4.38696650      0.40212812     -0.62405624
+O      4.77355065      1.36976040     -0.01379460
+H     -0.30161967     -1.61216433     -1.67929370
+H      1.55901568     -1.69112288     -1.78329114
+H     -0.17711537      0.51470224     -0.48249707
+H      0.99810436      2.30979699      0.49833836
+H      2.87012380      2.41686004      0.50183439
+H      5.04171851     -0.35656483     -1.09579946 
+
+13
+-1412.5443835143103 10.363801 10.78899 -9.6055 -7.5076 -10.117 -0.1223 -2.0414 -1.118 9.64491 1.50711 3.4884824946 6.2657316988 0.247152183
+C      2.72385673     -1.12508426      0.74345683
+C      3.22542378      0.00661450      1.24898586
+C      3.18818258      1.32957170      0.52618823
+C      2.94547863      2.50338511      1.47217188
+O      3.42561444      2.57932093      2.58708540
+C      4.57564277      1.56216831     -0.11566255
+O      4.74488588      1.76030865     -1.29839444
+H      2.76764566     -2.05817758      1.30611804
+H      2.24904126     -1.15782593     -0.23984229
+H      3.70335457      0.02189758      2.23229597
+H      2.45266268      1.34021801     -0.29054258
+H      2.32767109      3.33019096      1.04535713
+H      5.42177995      1.51515203      0.61080252 
+
+13
+-1415.9218115423253 10.201037 11.01993 -9.6735 -7.4977 -9.947 -0.8664 -2.9437 -1.962 9.4254 2.26381 2.7081518064 6.656994319 0.462981849
+C      1.05038079      0.06466094     -0.63319771
+C      2.02604074     -0.48555049      0.09613865
+C      3.38750764      0.11470883      0.26388051
+C      4.52944729     -0.85950285      0.07914940
+O      4.42019859     -2.07071347     -0.03237039
+C      5.95406047     -0.26761470      0.05997066
+O      6.19725372      0.91716355      0.16768266
+H      0.07133511     -0.40805332     -0.71812980
+H      1.19580681      1.00498624     -1.17121693
+H      1.85214756     -1.43442328      0.61119048
+H      3.51736553      0.52435800      1.28589601
+H      3.55214761      0.98135256     -0.39649842
+H      6.74368815     -1.04929202     -0.06485513 
+
+15
+-1560.4004724778474 10.650708 11.50335 -9.929 -7.6204 -9.676 1.7343 -0.2751 -0.216 9.14795 0.74296 4.3736929402 6.6955787622 0.482395222
+C      1.13145221     -0.54290308      2.29348519
+C      1.30906311      0.07914712      1.12278599
+C      2.28913810      1.19281748      0.88751417
+C      3.30728696      0.90113033     -0.21555781
+O      2.65572706      0.70545753     -1.50942112
+C      2.49317516      1.81658764     -2.26476522
+O      2.82961563      2.94543526     -1.97639974
+H      0.40098400     -1.34492096      2.40841714
+H      1.70816243     -0.26615001      3.18040304
+H      0.71014928     -0.22618632      0.25811161
+H      2.85203642      1.40006148      1.81215075
+H      1.75760350      2.12259900      0.62342038
+H      3.83451754     -0.04381036     -0.03190465
+H      4.02580603      1.72607043     -0.30742643
+H      1.99905257      1.52350447     -3.21207331 
+
+13
+-1423.0225103497874 10.537556 10.88103 -9.4577 -7.3771 -10.549 -0.9127 -2.6165 -1.497 9.9857 2.12694 3.382772031 5.0847402516 0.475088804
+C      0.89186858     -0.12161036     -0.04386501
+C      2.36683324      0.03487826      0.03939674
+C      3.11084811      1.17214656      0.04752659
+C      2.53876446      2.53197725     -0.02823955
+O      3.21029107      3.55641439     -0.01589178
+C      4.60150651      1.05187851      0.13908392
+O      5.19357663     -0.01498084      0.21025762
+H      0.63723270     -0.73991364     -0.92012130
+H      0.33496175      0.81901680     -0.10580981
+H      0.53211738     -0.68814888      0.83083800
+H      2.94906175     -0.89381036      0.10416462
+H      1.42593375      2.59415228     -0.09968968
+H      5.14397406      2.02261004      0.13729965 
+
+15
+-1565.1353116055145 10.664878 11.48059 -9.3507 -7.1316 -9.144 1.5903 -0.3581 -0.159 8.62252 0.72116 4.380363387 6.061799526 0.218385209
+C      0.68327091     -0.16995493      0.30312505
+C      2.03727740      0.14618162     -0.24974855
+C      2.57524210      1.36117128     -0.40233834
+C      2.02082841      2.70298326     -0.05649354
+O      3.92373663      1.39891012     -0.88157269
+C      4.13633327      1.90740461     -2.12680922
+O      3.29787056      2.30406592     -2.90294712
+H      0.06935853     -0.68968395     -0.44911359
+H      0.13284275      0.72328639      0.62298040
+H      0.76261370     -0.84772467      1.16785418
+H      2.65179853     -0.70174635     -0.56519783
+H      1.04915498      2.61328235      0.44160581
+H      1.89375302      3.31502200     -0.96108232
+H      2.70859827      3.23527022      0.61794684
+H      5.22818094      1.89164213     -2.31485908 
+
+17
+-1682.5607791759405 11.303239 12.15371 -9.5468 -7.4191 -9.256 0.9953 -0.3918 1.084 8.69647 -0.42492 6.159562487 6.159562487 0.365325348
+C      0.90436907     -0.43342295      0.13515240
+C      2.35393326     -0.09724672     -0.02575552
+C      2.93293151      1.11932097     -0.05740747
+C      2.20214790      2.43687921      0.06975548
+O      2.27045428      3.23623625     -1.12071398
+C      4.42643616      1.23327773     -0.23285210
+O      4.79103559      1.93111875     -1.45467477
+H      0.73945550     -1.01417599      1.05710005
+H      0.56606722     -1.07194166     -0.69627712
+H      0.25626749      0.45037505      0.16822651
+H      3.02043673     -0.96544038     -0.11695044
+H      2.63065076      2.99249520      0.92994718
+H      1.13465494      2.28999728      0.28005782
+H      3.20132864      3.18504629     -1.42250918
+H      4.90218114      0.23787600     -0.20150226
+H      4.86852988      1.84717643      0.56822977
+H      4.47017993      1.38233850     -2.19456637 
+
+15
+-1557.091148024775 11.089511 11.52537 -9.6943 -7.6335 -9.958 -0.2271 -1.9365 -0.943 9.67473 1.58241 3.4480630586 5.053359395 0.48791061
+C      0.96027620     -0.27777467     -0.05542651
+C      2.41856885     -0.01796116     -0.20902879
+C      3.09743265      1.12887399      0.03213416
+C      2.52123047      2.43389844      0.53838816
+O      2.88859913      3.54759593     -0.27317907
+C      4.54864631      1.10032300     -0.20976747
+O      5.29603685      2.06699503     -0.07126008
+H      0.79179014     -1.06095135      0.70191084
+H      0.54371793     -0.67148412     -0.99625794
+H      0.38757406      0.61045072      0.23546225
+H      3.01417350     -0.87183332     -0.55877363
+H      2.85517540      2.57865708      1.58540945
+H      1.42352010      2.40404836      0.54773397
+H      3.86853190      3.55140988     -0.27281235
+H      4.95585651      0.11330220     -0.54579298 
+
+15
+-1562.1188018213086 11.181873 11.93437 -10.0424 -7.8258 -10.204 -0.2882 -1.933 -0.701 9.50507 1.37895 3.5994127688 5.2850768304 0.412980983
+C      0.65515202      0.33785791      0.05604955
+C      2.12569573      0.11139038      0.09625002
+C      3.06682057      1.03732863     -0.16836257
+C      4.50677869      0.72918369     -0.10801440
+O      4.97194724     -0.37091503      0.20238829
+C      5.47480768      1.85048029     -0.45380494
+O      6.80735840      1.42210811     -0.35683115
+H      0.18162918     -0.33661132     -0.67555898
+H      0.39825473      1.37310609     -0.20340481
+H      0.20093830      0.09441948      1.02983592
+H      2.47662300     -0.89222204      0.36217950
+H      2.78426050      2.05908056     -0.44264578
+H      5.27603559      2.70303775      0.22687722
+H      5.24077668      2.20659765     -1.47759841
+H      6.72917170      0.47807786     -0.07980945 
+
+13
+-1422.5611770114588 10.739704 11.19953 -9.4623 -7.4108 -10.338 -1.1142 -2.9953 -1.911 9.80014 2.39952 2.6599832454 7.529607787 0.379170445
+C      0.58570872      0.62590512      0.02397066
+C      1.92349610      0.04633925     -0.26959614
+C      3.09885680      0.51354564      0.19801394
+C      4.37196336     -0.13454796     -0.14754134
+O      4.51203938     -1.13122476     -0.85662177
+C      5.65124964      0.49455816      0.43473252
+O      5.66828891      1.47745464      1.14917130
+H     -0.06475288     -0.13065718      0.49236495
+H      0.08012679      0.91717271     -0.91119665
+H      0.64308801      1.50122091      0.68321602
+H      1.95877096     -0.83616267     -0.91949708
+H      3.15523884      1.38899997      0.84967596
+H      6.57514537     -0.05520385      0.12679762 
+
+17
+-1684.9690735200243 11.178976 12.20636 -9.5191 -7.2964 -9.225 0.9187 -0.1868 1.24 8.71324 -0.62404 6.291731563 6.291731563 0.401817138
+C      1.15709499      0.44605299     -1.60264836
+C      2.61885331      0.52683755     -1.28696538
+C      3.14989082      1.16595373     -0.23602792
+C      4.62799891      1.24487832      0.07759718
+O      5.43878349      0.47537312     -0.80869278
+C      5.09999258      2.70895366      0.06512949
+O      5.09198673      3.22635423     -1.27221357
+H      0.81324450     -0.60077764     -1.59521389
+H      0.94627771      0.83243572     -2.61261592
+H      0.54846523      1.01172686     -0.88350045
+H      3.30299733     -0.00830011     -1.95450360
+H      2.49285891      1.68586640      0.47371380
+H      4.79914064      0.84109241      1.09293416
+H      5.63706542      1.07221465     -1.55875683
+H      6.14600533      2.76284415      0.39791393
+H      4.48017945      3.32330872      0.74295824
+H      4.16866467      3.17526526     -1.58814811 
+
+15
+-1553.5804788027708 10.963779 11.84621 -9.6272 -7.4632 -9.648 0.4307 -1.4664 -0.409 9.14608 1.07389 3.6804996128 6.3919246496 0.222865401
+C      0.54406298      0.28349488     -0.03194873
+C      1.99487365      0.09119289      0.27794406
+C      2.99833913      0.80628212     -0.24948929
+C      4.45276807      0.60867327      0.09659354
+O      5.25727624      0.44528398     -1.05337077
+C      4.94248164      1.79427872      0.91636550
+O      5.88523893      2.47743542      0.55337917
+H      0.10316637     -0.64059520     -0.43793445
+H      0.38701661      1.09107260     -0.75951483
+H     -0.02510205      0.52566933      0.87976182
+H      2.24071946     -0.70970560      0.98631941
+H      2.79739982      1.59752902     -0.97994193
+H      4.53937677     -0.27412475      0.76778165
+H      5.93764967      1.15366620     -0.98891806
+H      4.38498270      2.00285714      1.85878290 
+
+15
+-1563.3803527959683 11.021053 12.05175 -9.7548 -7.5235 -9.463 1.6011 -0.1936 -0.146 8.92933 0.68738 4.3622490324 6.3933752858 0.431643291
+C     -0.23473931     -0.46374996      0.15166140
+C      1.13805012      0.05725235      0.43815173
+C      1.87962995      0.78824060     -0.40516142
+C      3.22488723      1.32872307     -0.06336406
+O      4.20171357      0.76538480     -1.01035910
+C      5.43274519      1.31749590     -0.95567456
+O      5.79290141      2.20622346     -0.21236487
+H     -0.26054907     -1.56222553      0.23040597
+H     -0.57562810     -0.18110654     -0.85345476
+H     -0.96357876     -0.08221643      0.88415172
+H      1.55421718     -0.18220629      1.42477584
+H      1.49128174      1.03863452     -1.39854959
+H      3.53242222      1.05692163      0.95694105
+H      3.27264854      2.42455398     -0.15449600
+H      6.07450808      0.82164443     -1.71095336 
+
+15
+-1560.137934334993 10.628476 11.36264 -10.1495 -7.8696 -10.299 -0.3956 -2.1134 -0.947 9.7236 1.55012 3.4951157456 5.3129488832 0.391691342
+C      0.93789198      0.20826539      0.05541224
+C      2.36797725     -0.24674318      0.12459699
+C      2.72736084     -1.53073783      0.31622024
+C      3.39993701      0.81835101     -0.03089547
+O      3.07413024      1.99731494     -0.18605638
+C      4.89340236      0.49510570     -0.00906017
+O      5.65480316      1.66736012     -0.16759053
+H      0.73297315      0.96130637      0.82974172
+H      0.24941853     -0.63577837      0.18260799
+H      0.73357019      0.69787189     -0.90767258
+H      1.97646748     -2.31432276      0.43225788
+H      3.77054358     -1.84443479      0.36585159
+H      5.11410400     -0.22604983     -0.81907955
+H      5.14208128     -0.00303064      0.94693458
+H      4.97889893      2.37971197     -0.25763856 
+
+13
+-1416.9471791336546 10.178482 10.64105 -9.6265 -7.5366 -10.311 -1.2267 -3.1318 -2.037 10.05586 2.48481 2.6480061978 7.5406053452 0.418884511
+C      0.83286943     -0.06822102     -0.08611408
+C      2.29894333     -0.31989168      0.14862651
+C      2.80492574     -1.56252278      0.28248488
+C      3.28225957      0.80742014      0.25086481
+O      4.48252524      0.65110652      0.46623191
+C      2.85678279      2.28307030      0.07886911
+O      1.75361946      2.69229506     -0.21918904
+H      0.40039627      0.57537589      0.69207281
+H      0.28755316     -1.02089508     -0.09411472
+H      0.65663420      0.44565746     -1.04069685
+H      2.16141090     -2.44148400      0.22484273
+H      3.87225663     -1.70918513      0.45150342
+H      3.73191328      2.95901430      0.24900851 
+
+17
+-1683.2122622314903 11.003074 12.00536 -9.8297 -7.6057 -9.636 1.068 -0.4218 1.045 9.02193 -0.41976 6.460476509 6.460476509 0.395729879
+C      1.97330750     -0.94719299      1.23327543
+C      3.40871246     -0.68034795      0.86354329
+C      4.40123448     -1.52896299      1.17654921
+C      3.64365506      0.62056883      0.12126103
+O      3.33410399      1.75971117      0.97339131
+C      5.02945489      0.82842183     -0.48923446
+O      5.09920688      2.08739261     -1.15177936
+H      1.53741669     -0.08640924      1.76095770
+H      1.87718470     -1.83823349      1.86663292
+H      1.36569432     -1.10072643      0.32688926
+H      4.19703931     -2.45357396      1.72003965
+H      5.44007097     -1.34539157      0.90079011
+H      2.90453935      0.70508093     -0.69441061
+H      3.83094854      1.62695948      1.80327615
+H      5.23736754      0.05366489     -1.24216025
+H      5.80408675      0.75761603      0.30062477
+H      4.64875656      2.71666287     -0.55348615 
+
+15
+-1553.451472507136 10.598097 11.25669 -9.732 -7.5405 -9.717 0.388 -1.5175 -0.474 9.1171 1.10829 3.6920799052 6.4382334206 0.211951333
+C      0.91193973     -0.04645289      0.01610752
+C      2.39955992     -0.24498367      0.06847173
+C      2.98696938     -1.40023592      0.41404121
+C      3.25140323      0.97794613     -0.25561057
+O      2.78631906      1.69896866     -1.37459907
+C      3.30627941      1.88431098      0.96778702
+O      2.95784136      3.05136132      0.91293525
+H      0.58911311      0.76249094      0.69160135
+H      0.38217682     -0.96546744      0.29541997
+H      0.60385268      0.25150261     -0.99637533
+H      2.39693041     -2.27226803      0.70107815
+H      4.07293453     -1.51435014      0.41127270
+H      4.29561506      0.63543858     -0.41782030
+H      2.63573575      2.61373320     -1.04435048
+H      3.67796955      1.41724568      1.90909085 
+
+15
+-1562.515092097434 10.538855 11.26521 -9.8296 -7.586 -9.494 1.2655 -0.3515 -0.179 8.90007 0.69771 4.3590625922 6.475292836 0.380705345
+C      0.84952370     -0.29352052     -0.06227375
+C      2.35108342     -0.31147047      0.01686822
+C      3.08016370     -1.43678620     -0.00159218
+C      3.03388213      1.02443960      0.15039525
+O      2.73911749      1.88017304     -1.00949469
+C      3.70511830      1.95234661     -1.95643580
+O      4.79028072      1.41359208     -1.93659648
+H      0.41442730      0.16684864      0.83992909
+H      0.44005660     -1.30609407     -0.16689402
+H      0.51044802      0.31017105     -0.91786847
+H      2.60711514     -2.41879128     -0.06407605
+H      4.17012164     -1.40811275      0.04132801
+H      4.12089986      0.91595499      0.24243887
+H      2.63489853      1.59128560      1.00473289
+H      3.33809346      2.60973368     -2.76952089 
+
+15
+-1567.1834667353387 11.213602 11.77938 -8.9506 -6.8717 -9.085 1.2263 -0.6383 -0.145 10.63956 0.7357 4.3552810192 6.0541867856 0.33755754
+C      0.76070562      0.08246251      0.32632398
+C      2.05829766     -0.67519717      0.28011601
+C      1.98080479     -2.17140800      0.38390940
+C      3.21074998     -0.00202111      0.15230081
+O      4.43058420     -0.68733773      0.11105133
+C      5.56379800      0.05864201     -0.04509755
+O      5.62542977      1.26198270     -0.15607362
+H      0.91111600      1.16653602      0.23947821
+H      0.22593898     -0.11604798      1.26964263
+H      0.09224379     -0.23862958     -0.48921960
+H      1.35061098     -2.58027810     -0.42249692
+H      1.50577662     -2.46722563      1.33348851
+H      2.96763810     -2.64385428      0.32764190
+H      3.29642946      1.08062279      0.07303317
+H      6.42563605     -0.63458643     -0.05234826 
+
+15
+-1560.5408994266372 10.126133 10.94172 -9.7339 -7.6494 -11.149 -0.1115 -2.0309 -1.193 10.42753 1.49306 3.4678760214 8.1343371034 0.140588853
+C      0.93997519      0.02547860     -0.10939480
+C      2.46289778     -0.04096730      0.05804688
+C      2.91520652     -0.74494861      1.34336830
+C      3.10516787     -0.75465993     -1.14559710
+O      2.54549288     -0.97552235     -2.19991286
+C      3.02831342      1.38960843      0.00097748
+O      3.92629399      1.80883330      0.70214649
+H      0.66447485      0.52810755     -1.04580867
+H      0.48180966      0.56316435      0.73236016
+H      0.51985285     -0.98882865     -0.14485800
+H      2.53132765     -0.20949683      2.22200062
+H      4.00996191     -0.76342079      1.42225614
+H      2.53812994     -1.77657440      1.37159796
+H      4.16801044     -1.06006867     -0.97331896
+H      2.53951504      2.03661530     -0.77021362 
+
+17
+-1708.8110828092783 10.528749 11.51972 -10.189 -8.0089 -11.564 1.9624 -0.0436 -0.067 10.61193 0.61165 4.3296159172 9.0903683522 0.127260223
+C      1.34971243     -0.03421535      0.23473194
+C      2.74509440     -0.63593646      0.06177644
+C      3.11142143     -1.60537879      1.18643436
+C      2.88791767     -1.30365300     -1.30529508
+O      3.76225560      0.46193621     -0.00719701
+C      3.94523240      1.29932213      1.03186036
+O      3.37243375      1.30948817      2.10264714
+H      1.15750328      0.71800293     -0.54330343
+H      1.23257835      0.43213799      1.21932206
+H      0.59846063     -0.83020005      0.13040779
+H      3.00263281     -1.13724106      2.17114237
+H      4.14631120     -1.95627392      1.06849345
+H      2.44830393     -2.48103281      1.13799729
+H      2.67121960     -0.58983589     -2.11159673
+H      2.18358812     -2.14301554     -1.38415144
+H      3.90685814     -1.68934483     -1.44536876
+H      4.74169626      2.01760028      0.74474925 
+
+19
+-1825.4888436884933 10.984712 12.09647 -9.7584 -7.5064 -11.789 0.7944 -0.2366 2.463 11.50288 -2.14759 9.442091837 10.9456824576 0.089065713
+C      0.97910573     -0.03050274      0.03201860
+C      2.51564838     -0.00626047      0.02351702
+C      3.06083101     -0.64992888      1.30767871
+C      3.00744837     -0.78039548     -1.22301228
+O      4.42409502     -0.89430839     -1.33286185
+C      2.95119375      1.47149216     -0.07196392
+O      4.37734787      1.67467685     -0.16908530
+H      0.56289405      0.41093025     -0.88698192
+H      0.57705442      0.53142819      0.88882571
+H      0.60756451     -1.06318625      0.10742102
+H      2.74784273     -0.08386374      2.19918608
+H      4.15824169     -0.71682250      1.29178173
+H      2.68357987     -1.67803717      1.41387071
+H      2.57809996     -0.29789571     -2.12578802
+H      2.61793021     -1.81122427     -1.18802861
+H      4.77199253      0.01251083     -1.20353657
+H      2.54571292      2.03737825      0.78729024
+H      2.54002901      1.91942637     -0.99023191
+H      4.76420796      1.47098270      0.70082054 
+
+17
+-1695.106275801744 10.524368 11.50138 -9.7634 -7.584 -10.947 0.7062 -1.1811 -0.125 10.09704 0.7921 3.7185509162 8.2443126854 0.165637725
+C      1.04513873      0.25825262     -0.11873598
+C      2.57678127      0.13117645     -0.01322074
+C      2.95880638     -0.72332412      1.21371509
+C      3.15106141     -0.46736233     -1.31500588
+O      4.56859345     -0.59073782     -1.31333066
+C      3.13803016      1.52495972      0.22136196
+O      4.00322788      2.06741362     -0.44742432
+H      0.74693149      0.85304336     -0.99477254
+H      0.62058438      0.73290875      0.77845825
+H      0.59390119     -0.74046987     -0.21256434
+H      2.67103033     -0.23110360      2.15512820
+H      4.03961881     -0.91535499      1.22699499
+H      2.43536012     -1.69003410      1.16535626
+H      2.80685954      0.14550207     -2.17004097
+H      2.74783311     -1.48346507     -1.45129976
+H      4.90378124      0.32753940     -1.28430633
+H      2.69359051      2.05917591      1.10369676 
+
+17
+-1701.5787648142016 10.559533 11.80171 -9.8234 -7.793 -10.79 0.8247 -0.9331 0.04 9.83425 0.6967 3.8024894382 11.2413394732 0.116521957
+C      1.03038764     -0.10755577      0.15351366
+C      2.52241053     -0.12787739     -0.20946123
+C      2.83489671     -1.21057180     -1.26049456
+C      2.95931171      1.22545371     -0.75210684
+O      2.37785515      1.79598674     -1.67035792
+C      4.17938990      1.88573431     -0.13846037
+O      4.49508631      3.09709521     -0.77453418
+H      0.81494858      0.63270116      0.93695489
+H      0.71661729     -1.09443255      0.52156652
+H      0.42775686      0.14531962     -0.72942119
+H      3.11647010     -0.33578634      0.69766195
+H      2.27367996     -1.01496976     -2.18498134
+H      2.54486236     -2.19959985     -0.87866200
+H      3.90551846     -1.24295756     -1.50870222
+H      5.02540440      1.17112763     -0.19106192
+H      3.97131720      2.03805586      0.94078487
+H      3.79120683      3.19698679     -1.45721812 
+
+15
+-1561.9185490764164 10.088315 11.10326 -9.5571 -7.439 -10.982 -0.7534 -2.8222 -1.838 10.75628 2.12854 2.7443805156 11.60013016 0.200224777
+C      1.06714598     -0.57416083      0.48125892
+C      2.27574761      0.00474505     -0.25263903
+C      3.06016002     -1.07909998     -1.02919064
+C      1.87699692      1.08937529     -1.23056984
+O      0.76213990      1.23513132     -1.71223231
+C      2.95571075      2.10509517     -1.66544282
+O      4.04897419      2.20632757     -1.14589454
+H      0.54037289      0.19875320      1.05725257
+H      1.38845890     -1.36241408      1.17577730
+H      0.34853301     -1.00688047     -0.22821170
+H      2.98058847      0.47033503      0.45802550
+H      2.41340083     -1.56409093     -1.77492140
+H      3.41106106     -1.84860517     -0.32768425
+H      3.93906736     -0.66387268     -1.54021863
+H      2.60388209      2.77636150     -2.48847912 
+
+19
+-1826.645390037595 11.126758 12.47446 -9.9233 -7.6674 -11.773 0.8145 -0.2386 2.671 11.35847 -2.38698 9.3582525038 9.833019695 0.074314223
+C      0.92527810     -0.28072860      0.38087594
+C      2.41762971     -0.21775897      0.03161299
+C      2.82247191     -1.41448510     -0.84034597
+C      2.75724654      1.12370664     -0.63674343
+O      2.35197978      2.18408757      0.23485361
+C      4.24473564      1.29545635     -0.95917107
+O      4.52280843      2.64790325     -1.37468498
+H      0.62850221      0.57080358      1.00545696
+H      0.69488182     -1.20975694      0.92254907
+H      0.31018997     -0.26423708     -0.53365032
+H      2.99335529     -0.25269120      0.97475684
+H      2.34450606     -1.36129698     -1.83233819
+H      2.49541220     -2.35329708     -0.37049983
+H      3.90919281     -1.48523951     -0.98979713
+H      2.18452047      1.18737763     -1.59203509
+H      2.86284839      2.96391582     -0.06030264
+H      4.57875862      0.57511115     -1.72299510
+H      4.84055587      1.14489210     -0.04562152
+H      4.20778620      2.74773736     -2.29078015 
+
+17
+-1695.6172624229237 10.51607 11.57082 -10.1619 -7.9478 -11.165 0.6161 -1.3232 -0.296 10.31155 0.9278 3.6945472266 8.6927700474 0.096174334
+C      0.99486377     -0.22281418      0.32619167
+C      2.42341357     -0.11160491     -0.21842581
+C      2.72525594     -1.17136097     -1.28227221
+C      2.75336583      1.32166007     -0.72132266
+O      4.13952686      1.47424990     -0.93792155
+C      1.98497809      1.71682482     -1.96235340
+O      2.55232564      2.12742609     -2.96387446
+H      0.78253672      0.55152866      1.07899114
+H      0.85006516     -1.20079153      0.80707971
+H      0.23836293     -0.14132497     -0.46927782
+H      3.12238233     -0.26186974      0.62201090
+H      2.02688631     -1.10287955     -2.13199876
+H      2.63105033     -2.18118054     -0.85794274
+H      3.74752674     -1.05744117     -1.66711959
+H      2.40916196      2.02920437      0.06827713
+H      4.21775876      1.85274403     -1.84216589
+H      0.87365905      1.64277964     -1.91903565 
+
+17
+-1706.6965360956356 10.603449 11.71503 -10.5158 -8.3053 -11.83 1.8377 -0.1753 -0.148 10.78107 0.66629 4.3773753244 10.873386221 0.109034541
+C      0.35573953     -0.87968994      1.14843436
+C      1.68375071     -1.27933560      0.49326322
+C      1.62884922     -2.70224956     -0.07200898
+C      2.03496015     -0.25188316     -0.58307258
+O      3.32653011     -0.53278518     -1.20863451
+C      4.40202655      0.06311469     -0.64524766
+O      4.40435272      0.80422021      0.31495308
+H      0.40849372      0.12433931      1.59407186
+H      0.09044456     -1.58824094      1.94570379
+H     -0.46591560     -0.88455348      0.41430592
+H      2.47552506     -1.22944381      1.26058415
+H      0.82790072     -2.79439425     -0.82339775
+H      1.42438343     -3.43043453      0.72589537
+H      2.57617871     -2.98166920     -0.55277194
+H      2.06485564      0.76305870     -0.16395633
+H      1.31595628     -0.29142732     -1.41482488
+H      5.30271849     -0.23514594     -1.21746711 
+
+15
+-1559.9425117241979 10.046496 11.03318 -9.696 -7.4744 -11.003 0.6228 -1.3219 -0.455 10.48491 1.1083 3.6825825776 8.3916576478 0.164206692
+C      0.92807727     -0.00622577      0.41751930
+C      2.25299834      0.48622627     -0.18892646
+C      2.49860083      0.00350798     -1.62964610
+C      1.37822675      0.35174567     -2.58531167
+O      0.83931967     -0.44955994     -3.32704692
+C      2.40211504      1.98874401     -0.02481383
+O      2.82203584      2.75472651     -0.87159183
+H      0.81452310      0.33832361      1.45530357
+H      0.89094781     -1.10358393      0.41995254
+H      0.06260242      0.35588182     -0.15600876
+H      3.07053725      0.08181372      0.44196101
+H      2.65510403     -1.08341899     -1.65983726
+H      3.40554711      0.50268963     -2.01369110
+H      1.06975912      1.42743832     -2.58731905
+H      2.11092542      2.36539108      0.99123657 
+
+17
+-1693.0557921017921 10.550329 11.65223 -9.9867 -7.639 -11.045 0.7206 -1.1813 -0.122 10.14582 0.77958 3.7220721186 12.8339024474 0.119589139
+C      1.49834182     -0.01270534      1.03654987
+C      2.63831162      0.73928916      0.32012497
+C      2.23440190      1.25595231     -1.06824286
+C      3.39215890      1.42864971     -2.05371669
+O      4.47618784      2.21392349     -1.55941854
+C      3.14441303      1.83084459      1.24213822
+O      3.28794761      3.00754583      0.95308429
+H      1.79145519     -0.32942543      2.04815875
+H      1.22155840     -0.91110791      0.46929407
+H      0.60522523      0.62343585      1.12487276
+H      3.49244027      0.03841034      0.22456531
+H      1.70313546      2.21546083     -0.94874104
+H      1.51427906      0.55396266     -1.51956865
+H      2.99377590      1.85673562     -2.99409471
+H      3.82078846      0.44262257     -2.30260373
+H      4.09868238      2.89550347     -0.96919058
+H      3.37801693      1.48069225      2.28058858 
+
+13
+-1399.8897946585682 10.699948 11.81873 -9.654 -7.6474 -10.22 -0.1867 -1.957 -0.61 9.65227 1.26895 3.5188714632 10.1748119012 0.442015856
+C      0.99574461      0.02018323      0.05455665
+C      2.44252107      0.07290989     -0.02085231
+C      3.66040152      0.08615815     -0.10255171
+C      5.10590807      0.11863200     -0.20241031
+O      5.73565334     -0.66625166     -0.90241883
+C      5.80201084      1.23376297      0.58154062
+O      5.02234453      1.85932073      1.58850563
+H      0.55113568      0.91348870     -0.40856133
+H      0.66056255     -0.01690205      1.10149900
+H      0.60665534     -0.86595851     -0.46674618
+H      6.16156112      1.96021702     -0.17566624
+H      6.69032865      0.79883007      1.06162521
+H      4.10600266      1.92045946      1.25652979 
+
+11
+-1263.2920700886232 10.415308 11.28767 -9.7984 -7.7387 -10.456 -1.2 -3.1256 -2.036 10.01895 2.40302 2.7487944172 10.2470461448 0.384228651
+C      1.00891832      0.03665517      0.00440929
+C      2.45463727     -0.01795816     -0.00671740
+C      3.67279020     -0.08004540     -0.02043870
+C      5.10363930     -0.08650568     -0.01861189
+O      5.80787020     -1.07004156     -0.23877722
+C      5.81036918      1.25403411      0.28467138
+O      5.24330752      2.29836395      0.51937156
+H      0.65005162      1.07493078      0.02953463
+H      0.61616622     -0.48542650      0.88983456
+H      0.59388173     -0.45971203     -0.88482113
+H      6.92278845      1.14173533      0.26166493 
+
+15
+-1530.7132589073203 11.079338 12.671 -9.7143 -7.4695 -9.557 0.7699 -0.2858 2.008 9.15253 -1.59714 4.1568290276 9.9345146346 0.301619561
+C      0.97262209      0.02687114     -0.00789572
+C      2.42691182      0.01165407     -0.00447281
+C      3.64331634     -0.02311126      0.01304603
+C      5.10051721     -0.01286862     -0.00536089
+O      5.64791136     -0.66282096     -1.18239962
+C      5.66724787      1.41637668      0.08309967
+O      7.08542965      1.39753230      0.02214898
+H      0.58320112      1.05551649     -0.01004284
+H      0.57111232     -0.48641614      0.87827605
+H      0.57712412     -0.48448120     -0.89798873
+H      5.49986873     -0.59559614      0.84175619
+H      5.04979518     -0.45225110     -1.92307171
+H      5.38309000      1.87293293      1.04231721
+H      5.22827495      2.02402981     -0.73305423
+H      7.30525725      0.79459199     -0.71587756 
+
+13
+-1394.3289572767042 10.705139 11.94223 -9.4997 -7.3321 -9.775 0.6545 -1.2996 -0.244 9.41144 0.87678 3.6206019762 10.3169246544 0.26688762
+C      0.98522367      0.02653305     -0.00062186
+C      2.43789824     -0.00042864     -0.00128697
+C      3.65432819     -0.05425979      0.02360545
+C      5.10840413     -0.02399828     -0.01434976
+O      5.66626466     -0.64952475     -1.18420218
+C      5.56392754      1.45113447      0.01722894
+O      6.07359671      1.98841889      0.97605542
+H      0.60800882      1.05954730      0.00241838
+H      0.58326985     -0.48556306      0.88561522
+H      0.58348971     -0.47657291     -0.89229673
+H      5.54395492     -0.52875282      0.86268825
+H      4.98866114     -0.61430982     -1.88366853
+H      5.39893241      1.98223637     -0.95536564 
+
+13
+-1407.8930096913443 10.677962 12.21442 -9.9542 -7.615 -9.523 1.8144 -0.263 -0.214 9.30026 0.75648 4.18204778 10.1935585844 0.798897338
+C      0.92402334     -0.02764733     -0.10697319
+C      2.37058549     -0.01035974      0.03355510
+C      3.57922635      0.01827513      0.15369842
+C      5.02126664     -0.00127836      0.28326152
+O      5.48761176      1.34085951      0.66575977
+C      6.82708697      1.43786621      0.81788378
+O      7.63371630      0.54438753      0.67074452
+H      0.50800772      0.97736071      0.05750215
+H      0.45992442     -0.70695967      0.62305903
+H      0.62574929     -0.35346907     -1.11427220
+H      5.51322302     -0.28068664     -0.66101587
+H      5.35371853     -0.71416933      1.05336914
+H      7.07073016      2.48020106      1.10324784 
+
+15
+-1563.5634278528673 11.244528 11.96849 -9.2445 -7.1602 -9.41 1.1157 -0.7521 -0.21 10.73189 0.7863 4.3573515854 6.2910372414 0.355714975
+C      4.16554629     -1.15567132     -1.45551004
+C      4.05344849     -0.47563502     -0.08250427
+C      3.15665653      0.72594758     -0.10117113
+C      3.56986002      1.95980010      0.19682733
+O      2.66239238      3.02234894      0.14576149
+C      3.14288717      4.27121131      0.42747109
+O      4.28271734      4.55646746      0.71431760
+H      4.80890737     -2.04519527     -1.39980447
+H      4.59294116     -0.46898394     -2.19992568
+H      3.17935351     -1.47649081     -1.82269427
+H      5.05370534     -0.18653954      0.27669772
+H      3.65942206     -1.20552630      0.64623101
+H      2.11069528      0.58031464     -0.39006046
+H      4.58218646      2.23779871      0.49095860
+H      2.29978059      4.98205345      0.34569547 
+
+15
+-1562.468531921839 10.534413 11.34386 -9.7503 -7.5535 -9.623 1.3481 -0.5473 -0.235 9.03673 0.78713 4.3728746326 6.4161763112 0.287966998
+C      1.90610106     -0.90695937     -1.03310867
+C      1.73197985      0.08374283      0.12845227
+C      2.62358889      1.28497474      0.02744992
+C      2.25375821      2.55748106     -0.12121938
+O      4.02107737      1.00487102     -0.02157696
+C      4.62050294      0.53800379      1.11062586
+O      4.10303647      0.36815969      2.18963688
+H      1.23100952     -1.76422521     -0.90609039
+H      2.93368479     -1.29287285     -1.08114892
+H      1.67908232     -0.43030948     -1.99729201
+H      1.92924681     -0.42309066      1.08616806
+H      0.69419989      0.44576704      0.16712954
+H      1.19755575      2.81826909     -0.15997046
+H      2.99232736      3.35350709     -0.20408691
+H      5.68442876      0.34430123      0.87114119 
+
+15
+-1558.4560710443134 10.04452 10.98384 -9.6745 -7.5483 -11.104 0.3606 -1.5631 -0.649 10.54208 1.25133 3.6187297876 8.2043272004 0.143774033
+C      4.40311717      0.21880974      2.14970319
+C      3.19894265      0.37443219      1.21427922
+C      3.15669535      1.70754789      0.45757169
+C      2.98013750      2.94395343      1.34680091
+O      2.59947302      2.89530981      2.49849586
+C      4.30289397      1.92679507     -0.52113515
+O      4.42537312      2.92857725     -1.20142179
+H      4.39060650     -0.77025240      2.62747863
+H      4.38639015      0.97462366      2.94564595
+H      5.35933889      0.30787210      1.61284655
+H      2.27051249      0.28029478      1.79630039
+H      3.18870122     -0.44225458      0.47436161
+H      2.25376179      1.74796232     -0.18606861
+H      3.21200603      3.90948203      0.83744000
+H      5.04524015      1.09129669     -0.58485844 
+
+19
+-1828.3498714210036 11.002075 12.28359 -9.8891 -7.6213 -11.717 0.7762 -0.249 2.536 11.45435 -2.21627 9.2573031026 9.2573031026 0.07276078
+C      1.10395705     -0.20804079     -0.15366840
+C      2.62181017     -0.13721457     -0.32976833
+C      3.21954518      1.28065657     -0.34100593
+C      2.69294549      2.13689761     -1.49136813
+O      2.86320734      1.87740925      0.94158539
+C      4.76194732      1.21607108     -0.39180795
+O      5.31313347      0.60995684      0.77007883
+H      0.77881244     -1.25505162     -0.07533645
+H      0.56379291      0.23786374     -1.00169793
+H      0.79211280      0.31348755      0.76132141
+H      2.91918242     -0.62976105     -1.27030105
+H      3.11748742     -0.69555644      0.47918455
+H      2.94046053      1.68350393     -2.46263120
+H      3.14675884      3.14077045     -1.47019426
+H      1.60275358      2.25142739     -1.43228163
+H      2.98908801      2.83975763      0.86034685
+H      5.15219848      2.24736653     -0.52200787
+H      5.09459329      0.62159936     -1.25739287
+H      4.79424327      0.98029653      1.51319496 
+
+17
+-1698.444988805346 10.532721 11.60944 -10.1095 -7.9486 -11.088 0.6381 -1.2661 -0.196 10.2159 0.84577 3.756651814 8.594957492 0.12339918
+C      3.06003604     -0.94081051      0.92947044
+C      2.65087211     -0.02221124     -0.22105565
+C      3.05034513      1.46301601     -0.02563036
+C      2.54639967      2.31255086     -1.20879475
+O      2.51604539      1.96700544      1.19028197
+C      4.56565449      1.57100860      0.01295443
+O      5.16423970      2.04430388      0.96455879
+H      2.69008261     -1.96093411      0.75804746
+H      2.64014956     -0.57966344      1.87762624
+H      4.15283640     -0.99999873      1.04439244
+H      1.55585132     -0.03622902     -0.34301193
+H      3.07625879     -0.37853637     -1.17444120
+H      2.93768824      1.94762957     -2.16941396
+H      2.83558435      3.36396754     -1.07916563
+H      1.44964949      2.25742102     -1.23509974
+H      3.29664322      2.25750205      1.71329132
+H      5.10883349      1.20005844     -0.89080985 
+
+17
+-1708.4795622649049 10.60691 11.76255 -10.3914 -8.2008 -11.742 1.9568 -0.0782 -0.106 10.71457 0.64215 4.373420171 7.2784617454 0.100140191
+C      0.27565482      0.48874742      0.08781430
+C      1.52333959      0.17358586      0.91684285
+C      2.76875885      0.92908445      0.44872488
+C      2.71116294      2.43528306      0.63969724
+O      3.92056503      0.46541533      1.24711475
+C      4.60828107     -0.59106546      0.76390019
+O      4.38599798     -1.20253413     -0.26088918
+H     -0.56919498     -0.13337405      0.41345918
+H      0.44497531      0.28406969     -0.98019042
+H     -0.03330668      1.53906911      0.18645753
+H      1.73918292     -0.90361375      0.85342936
+H      1.34773962      0.40721128      1.97998189
+H      2.98005734      0.67300027     -0.60096906
+H      2.53862466      2.69022950      1.69534550
+H      1.89611405      2.86342733      0.04143639
+H      3.65043749      2.90298029      0.31683675
+H      5.43509998     -0.81667620      1.46699784 
+
+19
+-1823.6696145716824 11.062441 12.40472 -9.7609 -7.4746 -11.848 0.8246 -0.1856 2.589 11.54614 -2.30117 9.5669209418 10.999789948 0.090831392
+C      2.73878641     -0.65267349     -0.88885693
+C      2.67609306      0.06616599      0.46227738
+C      3.47309505      1.38347212      0.53997920
+C      3.11573023      2.14713161      1.82617599
+O      3.64584159      3.46954766      1.88644572
+C      4.98199616      1.11859307      0.45614971
+O      5.79002333      2.31812411      0.49413553
+H      2.08632073     -1.53733974     -0.89030010
+H      3.75303397     -0.99887093     -1.13364446
+H      2.40437034      0.00699190     -1.70406318
+H      3.02028602     -0.61396540      1.26137781
+H      1.62252832      0.29314313      0.69484574
+H      3.17968834      2.02018824     -0.31736331
+H      3.44585174      1.54662091      2.70072742
+H      2.02136760      2.25086012      1.89955310
+H      4.59179592      3.38353012      1.64510307
+H      5.23420865      0.53072119     -0.44203568
+H      5.30230600      0.53540531      1.33495700
+H      5.66812656      2.78022408     -0.35451400 
+
+17
+-1690.64462835348 10.594082 11.86396 -9.424 -7.2292 -10.791 1.0632 -0.8572 0.114 9.92469 0.53056 3.7154636648 8.236823931 0.10761053
+C      4.04441154     -0.91573381      0.76630380
+C      3.67158362      0.41269556      1.42813179
+C      3.35567077      1.52692499      0.41562265
+C      2.82545845      2.79893873      1.09603265
+O      3.82810447      3.29285374      1.99555375
+C      4.57786329      1.88274631     -0.41862009
+O      4.55649758      2.07121308     -1.62149639
+H      4.24310163     -1.68967462      1.52083023
+H      4.94712737     -0.82308480      0.14351842
+H      3.23432281     -1.27983593      0.11632557
+H      4.48304053      0.75200067      2.09091946
+H      2.78884937      0.27400848      2.07391791
+H      2.57567265      1.19625160     -0.29114010
+H      1.89533137      2.54581854      1.63980542
+H      2.58094564      3.54967900      0.32315416
+H      3.50503302      4.12401079      2.37980108
+H      5.53233591      1.98024766      0.15953971 
+
+17
+-1701.55747422085 10.540472 11.83774 -9.9238 -7.8702 -10.921 0.8187 -0.9615 -0.025 9.93134 0.75183 3.7887393908 10.7109149666 0.106641269
+C      2.63863380     -1.07464971     -1.33026449
+C      2.68864892     -0.51127268      0.09173030
+C      3.41871423      0.83289267      0.18201426
+C      4.91838213      0.74723942     -0.01653757
+O      5.57503716     -0.25950972      0.23056691
+C      5.64455176      1.98397024     -0.51995527
+O      7.03712027      1.79782123     -0.53694789
+H      2.08450672     -2.02326455     -1.35800606
+H      3.64863283     -1.27087644     -1.71821408
+H      2.13817142     -0.37680676     -2.01942657
+H      3.19158560     -1.22733765      0.75882572
+H      1.66587790     -0.37920427      0.47694766
+H      3.28022496      1.27321029      1.18681233
+H      2.99936178      1.56985067     -0.52416658
+H      5.36647905      2.84734905      0.11557989
+H      5.25464500      2.20665155     -1.53509372
+H      7.15550646      0.85869665     -0.26279484 
+
+15
+-1562.2596093176655 10.186535 11.46095 -9.6436 -7.4941 -11.076 -0.7225 -2.8248 -1.905 10.8322 2.18291 2.722298609 7.178975379 0.180323956
+C      1.84721527     -0.72710819      0.34698302
+C      3.34114871     -0.55602628      0.62381363
+C      3.95451402      0.58794507     -0.17774021
+C      5.42532310      0.80029766      0.05843371
+O      6.12512658      0.13947963      0.81294339
+C      6.11065523      1.94584155     -0.71536959
+O      5.53762699      2.67380235     -1.50078104
+H      1.42821928     -1.55395595      0.93708105
+H      1.65760652     -0.94649872     -0.71481867
+H      1.28407468      0.18328098      0.60307890
+H      3.88012038     -1.48772822      0.39174681
+H      3.51073797     -0.37499627      1.69663813
+H      3.44861111      1.54994825      0.02506841
+H      3.81535771      0.44862084     -1.26580526
+H      7.19968246      2.03639729     -0.47605228 
+
+19
+-1826.845702876282 11.179997 12.79017 -9.9864 -7.6757 -11.822 0.803 -0.2161 2.63 11.57463 -2.35912 9.4472496546 9.4472496546 0.07686663
+C      1.47445504     -0.70882325     -0.09187522
+C      2.98565728     -0.49452644      0.00323181
+C      3.39609200      0.96767342     -0.19843193
+C      4.90484434      1.20229073     -0.16659501
+O      5.59505683      0.51050682     -1.23570095
+C      5.27912833      2.68427105     -0.21367503
+O      6.69037871      2.86670490     -0.23377859
+H      1.21024770     -1.76429428      0.06478729
+H      1.09028239     -0.41302023     -1.08041558
+H      0.93639139     -0.11484774      0.66303325
+H      3.50214747     -1.12083156     -0.74109897
+H      3.34710250     -0.83302265      0.98904734
+H      2.92817056      1.59389429      0.58188105
+H      2.99730453      1.33969424     -1.16194406
+H      5.33612027      0.76321632      0.74888937
+H      5.14043034      0.73980057     -2.06851168
+H      4.89587454      3.20262275      0.67908618
+H      4.80413688      3.15119935     -1.10336810
+H      7.02867891      2.15983170     -0.81922119 
+
+17
+-1696.348555052965 10.801503 12.09112 -10.2385 -8.0471 -11.198 0.6818 -1.2992 -0.287 10.3122 0.91652 3.7034990158 11.1326781428 0.108605503
+C      1.36677630     -0.64219793      0.24597766
+C      2.89246654     -0.54390108      0.26727958
+C      3.39763659      0.84210900     -0.14435474
+C      4.93405254      0.92049142     -0.19618093
+O      5.47514207      0.01948260     -1.13928290
+C      5.38713213      2.33131593     -0.49112224
+O      6.12221230      2.58980329     -1.43079572
+H      1.02836717     -1.64379114      0.54680459
+H      0.97064157     -0.44655207     -0.76217290
+H      0.90569681      0.08577159      0.93132684
+H      3.32855940     -1.29321515     -0.41050075
+H      3.26932010     -0.77883695      1.27772109
+H      3.02465733      1.60327704      0.56393377
+H      3.00479831      1.10346206     -1.14166741
+H      5.32271768      0.68520449      0.82146971
+H      6.03390712      0.57422651     -1.72837137
+H      5.01345603      3.12856038      0.19555571 
+
+17
+-1706.0708474038372 10.677363 11.98238 -10.5169 -8.297 -11.843 1.8075 -0.1599 -0.149 10.79347 0.66093 4.3805617646 9.4480307664 0.216086338
+C      0.83885712     -0.05483262      0.02814548
+C      2.36851286     -0.03711237      0.03414224
+C      2.94578376      1.38168279     -0.02419019
+C      4.46764070      1.37203236     -0.01296714
+O      5.01089107      2.72276730     -0.14820052
+C      5.21897888      3.39691755      1.00526799
+O      5.01095719      2.99390167      2.13037905
+H      0.45122253     -1.08217407      0.07726014
+H      0.43850752      0.41085901     -0.88518564
+H      0.43248055      0.49755707      0.88880808
+H      2.74741888     -0.62292914     -0.82118191
+H      2.73890931     -0.54324622      0.94175347
+H      2.58488902      1.96556292      0.83766076
+H      2.59462104      1.89382695     -0.93528687
+H      4.87244752      0.83024251     -0.87872211
+H      4.85607127      0.92900209      0.91464373
+H      5.62513078      4.39662219      0.75356346 
+
+19
+-1816.1660166654801 11.144947 12.50207 -9.8221 -7.6098 -11.567 0.8845 -0.0232 2.793 10.92026 -2.49571 9.1909209982 11.407641895 0.090285526
+C      0.44633264      0.21732235     -0.43325347
+C      1.71743279      0.01004585      0.39653942
+C      2.56573435      1.27621097      0.56075658
+C      1.91016773      2.33192524      1.45058670
+O      2.73488481      3.48321846      1.60314409
+O      3.83085920      0.99676682      1.19768341
+C      4.81548839      0.46382536      0.32004778
+H     -0.07876120     -0.73615322     -0.58396850
+H      0.68087766      0.62743837     -1.42754498
+H     -0.25990828      0.90520020      0.05300032
+H      2.33564552     -0.76376197     -0.08524637
+H      1.46606743     -0.37414303      1.39900554
+H      2.76608085      1.72902288     -0.43233581
+H      1.68010348      1.87144650      2.43219408
+H      0.96687632      2.67415755      1.00267572
+H      3.61799153      3.12908108      1.82503058
+H      5.74320760      0.37547776      0.90009478
+H      4.99027999      1.13342616     -0.54244554
+H      4.54292919     -0.53712733     -0.05864434 
+
+17
+-1710.9354745649407 10.659331 12.28091 -10.0328 -7.9855 -11.412 0.919 -0.0149 0.166 10.31296 0.48507 4.4360207024 11.6494889866 0.151176705
+C      1.87414750     -1.59370807      0.61439777
+C      3.21525577     -1.04210805      0.12975560
+C      3.16078139      0.46057119     -0.13907341
+C      4.47638994      1.03869765     -0.61789529
+O      5.50929404      0.42014624     -0.79616134
+O      4.35903168      2.38255291     -0.83203172
+C      5.56817853      3.02857327     -1.29214292
+H      1.93609565     -2.67457678      0.80343513
+H      1.07927258     -1.43125571     -0.12987957
+H      1.55489040     -1.11018587      1.55060030
+H      3.53043703     -1.56103309     -0.78841752
+H      4.00120768     -1.24648817      0.87284912
+H      2.86003420      1.01603262      0.76525823
+H      2.39415230      0.70205483     -0.89464712
+H      5.30511084      4.08388177     -1.41561857
+H      5.89685807      2.59609228     -2.24622284
+H      6.37160240      2.91278297     -0.55286586 
+
+19
+-1863.8225089995187 11.898808 13.63151 -9.2914 -7.1709 -11.082 0.9821 0.091 3.201 10.54361 -3.37887 8.9211894552 11.5923314406 0.247919506
+C      1.21139398     -0.00676652      1.36496366
+C      2.22745013      0.00000388      0.22166060
+C      2.78085396      1.39119238     -0.04552392
+O      3.71700641      1.31943036     -1.12835817
+C      4.27988719      2.57137528     -1.42567937
+C      5.47362627      3.05322280     -0.63309803
+C      5.63289573      2.55811607     -2.06169467
+H      0.83711647     -1.02233408      1.55419543
+H      0.34284921      0.62954489      1.13571635
+H      1.65653343      0.36273806      2.30161091
+H      1.76479840     -0.37965690     -0.70310366
+H      3.06772589     -0.67369956      0.45338798
+H      3.28126549      1.79217419      0.85810190
+H      1.95991071      2.09038499     -0.30597042
+H      3.55470946      3.32420396     -1.76260677
+H      5.83500888      2.39189935      0.15522609
+H      5.57346282      4.11997662     -0.42932975
+H      5.84141598      3.27896493     -2.85226275
+H      6.09065960      1.57769929     -2.19410539 
+
+17
+-1717.240257706104 11.883448 13.16662 -9.3723 -7.2594 -9.698 1.581 -0.0895 1.31 9.17135 -0.76096 6.768457733 6.768457733 0.449622185
+C      0.59714878      1.05362178      0.97055131
+C      1.59312488      1.48610509      0.19151098
+C      3.04451740      1.30146790      0.50330307
+O      3.71146268      2.56834652      0.38072864
+C      5.09821955      2.45025815      0.58032223
+C      5.80145094      3.67311112      1.07349480
+C      5.64494745      2.46982499      1.98943237
+H     -0.44787985      1.17795140      0.68338160
+H      0.79507954      0.55310697      1.92191355
+H      1.37530389      1.99507186     -0.75288852
+H      3.49552255      0.58413693     -0.21396598
+H      3.18104956      0.88703121      1.51985524
+H      5.60788183      1.81659233     -0.15765775
+H      5.17079357      4.53678558      1.28437897
+H      6.78564602      3.90359533      0.66564576
+H      6.52175701      1.86424058      2.22142521
+H      4.91434419      2.56256225      2.79369851 
+
+15
+-1601.040716001902 11.387444 12.05456 -9.5214 -7.4868 -9.745 -0.1407 -1.8726 -0.863 9.72494 1.43309 3.4124790766 5.0660927572 0.370343953
+C      0.98577911      1.47454040     -1.64671094
+C      1.47709255      1.19377719     -0.42066735
+C      0.56919312      0.45461454      0.49684231
+O      0.84987279      0.11623736      1.63666529
+C      2.81969528      1.54310858      0.09796912
+C      4.03913455      1.51838071     -0.81111441
+C      3.50957829      2.83171063     -0.32004335
+H      1.55422829      2.01036752     -2.40870498
+H     -0.02496414      1.16169090     -1.91619985
+H     -0.43228716      0.21828285      0.05443508
+H      2.97372811      1.21794026      1.12769713
+H      3.86584046      1.25012045     -1.85450452
+H      4.96909514      1.13763099     -0.38847473
+H      4.07003649      3.36890093      0.44521724
+H      2.97402713      3.46787667     -1.02643606 
+
+15
+-1605.3007729928001 11.497416 12.31641 -9.206 -7.3411 -10.429 -0.1748 -1.8257 -0.516 9.26611 1.14125 3.5325347204 5.6949001548 0.402147438
+C      1.01989067      1.58241828      0.57005302
+C      2.34773622      1.74065509      0.66121612
+C      3.28458678      1.05447058     -0.28145956
+O      2.87918350      0.32265311     -1.18636818
+C      4.73889894      1.30440943     -0.06435193
+C      5.70249582      0.16384543     -0.38815998
+C      5.63809913      1.33854150     -1.29943442
+H      0.33316313      2.08049904      1.25481385
+H      0.60364776      0.93914548     -0.20883235
+H      2.78537190      2.37914184      1.43396398
+H      5.00751307      1.96271070      0.76275117
+H      5.22441370     -0.75636049     -0.72570525
+H      6.56247513      0.04883075      0.27119015
+H      6.45181310      2.06349705     -1.28920927
+H      5.11805114      1.20643221     -2.24895735 
+
+15
+-1558.485534508698 11.41379 12.86787 -9.6224 -7.4453 -9.881 1.0509 0.0121 2.291 9.7543 -1.88188 4.4145339286 10.8847433386 0.354689659
+C      2.79242810      0.95357024     -4.07069094
+C      3.73423233      1.31646459     -3.39865506
+C      4.87364219      1.78065787     -2.62154192
+O      4.98546782      1.02234669     -1.40678471
+C      6.11286892      1.42118019     -0.66344633
+C      6.71133104      0.38350069      0.22911989
+C      7.46468067      0.84055057     -1.00903041
+H      1.95873285      0.62791786     -4.65873770
+H      4.74965074      2.85710247     -2.38828382
+H      5.80049905      1.68002544     -3.21888798
+H      6.07403268      2.45838582     -0.30572539
+H      6.25421536     -0.60518693      0.19036376
+H      7.06900084      0.69324150      1.21091187
+H      8.35065620      1.46506942     -0.88937266
+H      7.49735121      0.13982358     -1.84415861 
+
+17
+-1723.2097301200788 12.137208 13.43133 -8.227 -6.2047 -8.933 1.0137 0.1306 1.374 8.4733 -0.80005 6.0887416838 6.0887416838 0.394254939
+C      0.35420075      3.25593968     -0.73507345
+C      1.47397799      2.60785567      0.02066442
+C      2.73380946      3.06185407      0.00164766
+O      3.75044439      2.43329623      0.68834641
+C      4.98573425      3.12240311      0.65387023
+C      6.20996241      2.26818599      0.72347808
+C      5.86072883      2.98881075     -0.56712610
+H     -0.46134425      3.56734941     -0.06203575
+H     -0.09073173      2.56589325     -1.47091868
+H      0.69802727      4.14766848     -1.27943134
+H      1.25190110      1.71484624      0.61255705
+H      3.03252072      3.94743877     -0.57082777
+H      4.97633431      4.07546854      1.19370533
+H      6.04288947      1.19136334      0.74716701
+H      7.05243292      2.62151285      1.31755531
+H      6.46029586      3.84645895     -0.87383578
+H      5.47062624      2.37770467     -1.38140263 
+
+17
+-1723.9742383593139 11.807136 12.79052 -8.4508 -6.3738 -9.062 0.9079 0.0179 1.375 8.49829 -0.79846 6.1872237636 6.1872237636 0.369398932
+C      4.07770865     -0.44927203      2.51614444
+C      3.48637349     -0.97698048      1.24202150
+C      2.56638010     -1.95273865      1.18043164
+O      3.86150457     -0.37024674      0.05042554
+C      5.13197798      0.25182614     -0.00219396
+C      6.35566278     -0.60399698     -0.20904579
+C      5.79060757      0.23055859     -1.34501391
+H      5.17084521     -0.57122603      2.53766315
+H      3.65395126     -0.98734658      3.37170255
+H      3.86187222      0.62358270      2.64021827
+H      2.18210251     -2.40228348      2.09305239
+H      2.17277967     -2.28822582      0.22204341
+H      5.22312343      1.15893066      0.60271148
+H      6.19239923     -1.68090313     -0.25953858
+H      7.29104379     -0.29510299      0.25949620
+H      6.33170461      1.12031286     -1.66648946
+H      5.25901296     -0.30230804     -2.13319889 
+
+17
+-1740.7177775196344 11.164314 12.51296 -9.4253 -7.2639 -10.798 1.1121 -0.8044 0.019 9.95727 0.6419 3.672217348 11.0747022892 0.151689623
+C      1.30322396      0.04930041      0.40530965
+C      2.63743082     -0.07294305     -0.32774582
+C      2.51769930     -0.81315293     -1.65023480
+O      1.49134262     -1.28538479     -2.10309334
+C      3.31466957      1.27063015     -0.57423197
+C      4.15077662      1.91113756      0.50912431
+C      4.81542669      1.36981630     -0.73503651
+H      1.44502404      0.53256912      1.38121944
+H      0.84452469     -0.93609368      0.55931668
+H      0.59354717      0.65171809     -0.17931535
+H      3.34337352     -0.68258207      0.27322169
+H      3.48217246     -0.89110391     -2.21728495
+H      2.72300691      1.95891310     -1.18527917
+H      4.28235563      1.35490509      1.43894105
+H      4.08944432      2.99228241      0.63306796
+H      5.21096437      2.07910009     -1.46220915
+H      5.40048731      0.45377810     -0.63615974 
+
+19
+-1865.4172974235294 11.807615 13.23287 -9.002 -6.9753 -10.879 0.999 0.1076 3.124 10.34541 -2.83793 8.6994404942 11.6300355832 0.238055286
+C      0.98975048      0.08022319      0.05959027
+C      2.48141896     -0.11633584     -0.17418470
+C      2.77035465     -0.91098614     -1.44759089
+O      3.05907038      1.20873249     -0.20769336
+C      4.45788442      1.22872109     -0.07888144
+C      5.34158332      1.33010452     -1.30404667
+C      5.12870575      2.52806152     -0.39501915
+H      0.81424563      0.64787906      0.98283418
+H      0.48267616     -0.89104970      0.14132627
+H      0.54304135      0.63507160     -0.77859667
+H      2.91697355     -0.65516687      0.69266831
+H      2.35650297     -0.39010699     -2.32402737
+H      2.30559442     -1.90602546     -1.38541801
+H      3.84863096     -1.04867228     -1.60015034
+H      4.83597119      0.64883894      0.77337885
+H      4.83856407      1.35454267     -2.27053457
+H      6.30981013      0.82686001     -1.29563263
+H      5.94539404      2.86093284      0.24524640
+H      4.48063757      3.32073535     -0.76933850 
+
+19
+-1874.356837716884 11.585107 12.9413 -9.8243 -7.6855 -11.553 0.8954 -0.0426 2.688 11.22584 -2.30836 9.2589149206 11.7545051286 0.178834627
+C      1.08953061      0.30542809      0.10353797
+C      2.59007826     -0.01455866      0.01671198
+C      3.00192874     -0.93019731      1.16941899
+O      2.84733601     -0.80220216     -1.17746446
+C      3.38005457      1.29299722     -0.06114413
+C      3.94357958      2.00870414      1.14649897
+C      4.87261355      1.36720699      0.14190980
+H      0.77073423      0.91173512     -0.75844206
+H      0.85910014      0.87320836      1.01706875
+H      0.50301061     -0.62369423      0.10503280
+H      2.76906035     -0.48074143      2.14335877
+H      4.07286970     -1.16885435      1.12786131
+H      2.44704719     -1.87425333      1.08559520
+H      2.72569995     -0.21594601     -1.94523253
+H      2.98810288      1.96031095     -0.83761460
+H      3.84933760      1.52686262      2.12009965
+H      3.87523764      3.09669655      1.17495542
+H      5.44587168      2.01468302     -0.52220779
+H      5.39344671      0.45772441      0.44173597 
+
+19
+-1872.1011950203936 11.60363 13.04274 -9.8715 -7.6065 -11.412 0.9353 0.0694 2.79 11.08739 -2.45732 9.2447929152 11.7143336646 0.214565315
+C      1.53673464      0.04518075      0.44547095
+C      2.80827980     -0.09145825     -0.40196378
+C      2.49780964     -0.84782124     -1.70227788
+O      3.64994289     -1.12959752     -2.49979333
+C      3.42253692      1.26952804     -0.68965715
+C      4.28883462      1.95175735      0.33989795
+C      4.91398684      1.43011136     -0.93274672
+H      1.74597293      0.57461237      1.38545254
+H      1.11424789     -0.93942077      0.69499573
+H      0.76345114      0.61570528     -0.09317816
+H      3.55021756     -0.68977999      0.15862575
+H      1.74721843     -0.27321437     -2.28398684
+H      2.05072007     -1.82640840     -1.46894829
+H      4.12267837     -0.28546654     -2.61214886
+H      2.77493288      1.93501173     -1.27221518
+H      4.49720210      1.40553693      1.26181158
+H      4.19718690      3.03090409      0.46368365
+H      5.24709400      2.15661921     -1.67530431
+H      5.54173236      0.54090998     -0.85130765 
+
+17
+-1751.0566216996344 11.248489 12.73877 -9.1383 -7.1901 -10.479 1.2334 -0.4508 0.315 9.44698 0.43305 3.7935624462 12.0584320104 0.222968156
+C      0.91062183      0.09491332      0.01984982
+C      2.43073502     -0.00640824      0.00815736
+C      3.14678464      1.33612490     -0.02578307
+O      2.53849580      2.40210585     -0.03844211
+C      4.64030858      1.27974493     -0.04041367
+C      5.37915311      2.37736353     -0.79906359
+C      5.39221453      2.38782656      0.69125159
+H      0.45438919     -0.90387694      0.04766881
+H      0.54520259      0.61977074     -0.87281296
+H      0.56171972      0.66156400      0.89334262
+H      2.79013690     -0.59130845     -0.85774741
+H      2.80574250     -0.55374456      0.89194385
+H      5.09182341      0.28613519     -0.03622747
+H      4.73873297      3.10664598     -1.29642568
+H      6.28145354      2.08259368     -1.33441205
+H      6.30336052      2.09963638      1.21510858
+H      4.76078515      3.12401314      1.18987537 
+
+19
+-1872.7396169778012 11.627437 13.08137 -9.8537 -7.6771 -11.571 0.9546 0.0361 2.819 11.26548 -2.48456 9.4105745958 11.5893557766 0.238123079
+C      3.01482310     -0.81568404     -1.26592612
+C      2.51502114     -0.07099983     -0.02543691
+C      3.08496482      1.34453486      0.14618235
+O      2.40120515      2.03423581      1.21374753
+C      4.58830371      1.36386599      0.33751047
+C      5.51464012      1.60507381     -0.83682609
+C      5.33487993      2.67019926      0.21508531
+H      2.53311274     -1.80012054     -1.34991503
+H      4.10176737     -0.97443449     -1.23654949
+H      2.78419124     -0.25538220     -2.18523987
+H      2.75504328     -0.65579209      0.88171339
+H      1.41807487      0.02024682     -0.05547286
+H      2.83892779      1.93997252     -0.75160866
+H      2.65926224      1.60448770      2.04922443
+H      4.95585064      0.66494751      1.09796211
+H      5.05681254      1.77172304     -1.81326789
+H      6.45758952      1.05820876     -0.86921684
+H      6.15763507      2.86024645      0.90449473
+H      4.74554473      3.55178066     -0.04086057 
+
+13
+-1401.6821082859171 10.108127 10.72271 -9.7897 -7.7004 -10.204 -0.3307 -2.1164 -1.065 9.95264 1.64796 3.423997376 5.242810003 0.438990621
+C      1.02849523      0.09616256     -0.23469290
+C      2.34866560     -0.12424678     -0.08633843
+C      2.82243172     -1.50953770      0.13625731
+O      3.99300964     -1.82254961      0.29954802
+C      3.37376049      0.95505265     -0.10906654
+C      3.66060598      1.72268256     -1.34105654
+O      2.89859820      2.30355507     -0.26743962
+H      0.63580481      1.10368642     -0.37527045
+H      0.32382510     -0.73755225     -0.21125962
+H      2.00767783     -2.27788094      0.14838083
+H      4.19370730      0.82894614      0.60601675
+H      3.08981587      1.49323507     -2.24687206
+H      4.66080224      2.14258681     -1.48761677 
+
+13
+-1402.29213950679 10.130825 10.76878 -9.5347 -7.5858 -10.584 -0.4017 -2.1381 -0.81 9.6319 1.44294 3.500496738 5.5690667634 0.385068854
+C      1.03504236     -0.08713893     -0.01632477
+C      2.30914363      0.03317773      0.38420935
+C      3.32222354      0.69918113     -0.48099222
+O      3.07761719      1.14412839     -1.59956161
+C      4.71831641      0.84194318      0.06772214
+C      4.93393179      1.42143825      1.41571661
+O      5.11149374      0.02056459      1.18832873
+H      0.28327537     -0.57817842      0.60191770
+H      0.72965432      0.30817544     -0.98776520
+H      2.65108637     -0.36761101      1.34062932
+H      5.48506575      1.00209657     -0.69695012
+H      4.06738651      1.69503647      2.02772031
+H      5.85000302      1.99465658      1.59115977 
+
+15
+-1541.451298819695 9.952932 11.20199 -9.6584 -7.4676 -10.939 0.9467 -1.0227 -0.065 10.0655 0.70869 3.67494504 10.909466147 0.147087245
+C      1.28078326      0.08706709      0.23325911
+C      2.69565206     -0.16071306     -0.28623266
+C      2.72044240     -0.91527878     -1.60973879
+O      1.73639295     -1.35078314     -2.17762438
+C      3.49296234      1.12632907     -0.43672633
+C      4.39545072      1.61192884      0.62079645
+O      4.92381982      0.99588636     -0.57059011
+H      1.30741853      0.56077120      1.22379445
+H      0.72677666     -0.85713203      0.30684502
+H      0.71876768      0.73921659     -0.45013141
+H      3.26432036     -0.79921095      0.41782389
+H      3.74350841     -1.04966803     -2.04173129
+H      3.04976717      1.87140464     -1.11127285
+H      4.50138115      1.02161932      1.53824722
+H      4.59590650      2.68388287      0.71516167 
+
+17
+-1677.8067729454149 10.361597 11.62225 -9.9616 -7.8161 -11.787 0.8929 -0.0175 2.392 11.35649 -2.05937 9.1403595074 11.6141281794 0.134262082
+C      0.95226113      0.21038200      0.09833987
+C      2.46104024     -0.01400813      0.00363786
+C      2.96521370     -0.92283452      1.12923343
+O      2.67998329     -0.65326514     -1.27709890
+C      3.17285958      1.33539207     -0.04513114
+C      3.94296997      1.92600521      1.06205538
+O      4.62018173      1.29886367     -0.04695013
+H      0.60181692      0.82557236     -0.74197983
+H      0.68995143      0.71178518      1.04000131
+H      0.43001677     -0.75508264      0.05662639
+H      2.67095622     -0.54838334      2.12018839
+H      4.06115226     -1.01082607      1.09959826
+H      2.53169615     -1.92265012      0.99664207
+H      3.64591593     -0.71345320     -1.39726393
+H      2.75796047      2.01638102     -0.79975363
+H      4.02567251      1.39394046      2.01466036
+H      4.05255168      3.01432123      1.11563425 
+
+17
+-1674.4341355178674 10.419108 11.74635 -9.935 -7.6175 -11.826 0.8389 -0.0755 2.484 11.31663 -2.17819 9.2098536604 11.1513876302 0.216115324
+C      1.42962330     -0.09346035      0.41195554
+C      2.72923055      0.05140662     -0.38957085
+C      2.63495474     -0.66101105     -1.74939100
+O      3.89419481     -0.78959316     -2.40381193
+C      3.05369141      1.52019964     -0.58379417
+C      4.15049585      2.19782759      0.12675997
+O      4.30148316      1.83919251     -1.26396898
+H      1.49413746      0.42545246      1.37906483
+H      1.21171166     -1.15194878      0.61076541
+H      0.57377457      0.32817859     -0.13798631
+H      3.55883910     -0.41983340      0.16549131
+H      1.90112270     -0.12947572     -2.39115817
+H      2.25669873     -1.68510422     -1.60246708
+H      4.35089231      0.06920914     -2.30974376
+H      2.21532030      2.14104801     -0.92947938
+H      4.76661368      1.61934912      0.82327893
+H      4.09746571      3.27442299      0.31579565 
+
+15
+-1547.674158324294 9.974309 11.23419 -9.4821 -7.4551 -10.819 0.8457 -0.9524 -0.063 9.83786 0.77475 3.747662829 11.4430770938 0.26195422
+C      0.97527450      0.09607081      0.06233265
+C      2.49580393      0.14345875      0.15482136
+C      3.09537793      1.43568648     -0.36189441
+O      2.45481442      2.28717841     -0.96462405
+C      4.56826071      1.66833869     -0.13324191
+C      5.12459374      1.68363414      1.24072946
+O      5.37615087      0.58087061      0.36449329
+H      0.59797527     -0.87506745      0.40870703
+H      0.63900147      0.25338944     -0.97068194
+H      0.51726989      0.88356055      0.67665803
+H      2.96378917     -0.66835434     -0.43124064
+H      2.85418521     -0.03296094      1.18284233
+H      5.04232724      2.30689454     -0.88701245
+H      4.46673032      1.47358880      2.09120795
+H      5.98060533      2.33387150      1.44669330 
+
+17
+-1676.1941046655556 10.41423 11.91202 -10.0355 -7.8414 -11.751 0.9646 0.0605 2.519 11.37928 -2.20568 9.1910077884 10.8092978576 0.136760131
+C      1.18494332     -0.22075364     -0.57580491
+C      2.66731659     -0.24481212     -0.20549065
+C      3.11427054      1.01343340      0.55480083
+O      2.38759999      1.19089606      1.77223831
+C      4.61241320      0.98413480      0.83144100
+C      5.21607228      1.75101227      1.92947911
+O      4.98549124      0.32459941      2.06665959
+H      0.88447627     -1.15274216     -1.07426655
+H      0.96105210      0.61273378     -1.25956897
+H      0.56361328     -0.09370647      0.32093779
+H      3.28463066     -0.34017599     -1.11553257
+H      2.89268044     -1.12658061      0.41886323
+H      2.89335160      1.90404568     -0.06167525
+H      2.82260973      0.59600247      2.41741117
+H      5.24724967      0.71883231     -0.02334317
+H      4.57098485      2.38007532      2.54921156
+H      6.27015425      2.03840548      1.86913949 
+
+21
+-2011.5848612939747 12.633156 14.65485 -9.5038 -7.3324 -11.503 0.97 0.0581 3.141 10.77678 -2.99389 9.311100628 11.2472908012 0.179130875
+C      0.93416653     -0.03016513     -0.05901569
+C      2.45727666      0.09064408      0.01079197
+C      2.92284583      1.53850519     -0.03514779
+O      4.34499999      1.57606952      0.03152836
+C      4.85070649      2.90745250      0.02315090
+C      6.37081429      2.86603396      0.07373218
+C      6.98826599      4.26532543      0.07923766
+H      0.61904275     -1.08200621     -0.01970342
+H      0.53846916      0.39999081     -0.99185895
+H      0.45008420      0.49265092      0.78013568
+H      2.92291933     -0.45520046     -0.82510875
+H      2.83512537     -0.36974026      0.93747728
+H      2.48720232      2.10954122      0.81227790
+H      2.57342056      2.02697756     -0.96981084
+H      4.45096435      3.47061373      0.89341153
+H      4.51025532      3.43821754     -0.89138121
+H      6.73521717      2.29071180     -0.79211235
+H      6.67712595      2.30945057      0.97366662
+H      6.70983743      4.83191286     -0.82259510
+H      8.08526297      4.21303843      0.11175324
+H      6.65788733      4.84750592      0.95316078 
+
+13
+-1446.2868015781517 11.365226 12.00242 -9.4398 -7.4109 -9.988 -0.3459 -2.0628 -0.687 9.45908 1.3286 3.4717071888 10.7308271182 0.539618828
+C      1.51288039     -0.94697925     -0.39835309
+C      2.78343986     -0.55419830     -0.22613765
+C      3.12606437      0.88315993     -0.03966113
+O      2.29199336      1.77772007     -0.02436671
+C      4.62690586      1.23321700      0.08234154
+C      5.40861131      0.32432764      0.90477235
+C      6.04069291     -0.44166654      1.60307227
+H      1.25213382     -1.99504760     -0.54588114
+H      0.70724671     -0.20945881     -0.39077912
+H      3.60670519     -1.27189174     -0.21673566
+H      4.68889528      2.26479622      0.45750373
+H      5.02958476      1.24312629     -0.94717215
+H      6.60142619     -1.10862491      2.22560676 
+
+17
+-1718.379408333286 12.684804 13.7837 -9.5908 -7.3823 -9.637 1.4503 -0.2524 1.217 9.37538 -0.97576 6.7177226618 6.7177226618 0.902315442
+C      1.43060884     -0.42236534      0.86512185
+C      2.34561750      0.00126902     -0.01174950
+C      3.03530849      1.32691350      0.06708812
+O      4.44746574      1.12413065     -0.02173215
+C      5.15940694      2.36325751     -0.04904275
+C      6.62918816      2.08235986     -0.03472140
+C      7.50221381      2.60350623     -0.90182758
+H      0.92682680     -1.38238949      0.74591338
+H      1.14998939      0.18234847      1.73142722
+H      2.62282953     -0.62245115     -0.86760788
+H      2.77348648      1.84893140      1.00946706
+H      2.70241006      1.97290177     -0.77372037
+H      4.88470854      2.96546422      0.84367679
+H      4.88239915      2.95438360     -0.94515670
+H      6.97249976      1.41811926      0.76484135
+H      7.17604059      3.25956054     -1.71304069
+H      8.57104024      2.39894995     -0.82840676 
+
+15
+-1560.3986795317778 11.964392 12.92784 -9.8484 -7.5751 -9.665 1.4481 -0.2586 1.254 9.1947 -0.71413 4.3870462324 10.7160107912 0.715695434
+C      1.02268383     -0.25628700      1.72551329
+C      1.70083942     -0.19724848      0.57529092
+C      2.58186698      0.94325717      0.17829693
+O      3.87096125      0.42261309     -0.18722009
+C      4.75738808      1.43810556     -0.65663771
+C      4.35196489      2.04983005     -1.92497499
+C      4.01456093      2.55889970     -2.97417236
+H      0.35799227     -1.09041304      1.95374221
+H      1.10397064      0.53416161      2.47602604
+H      1.61407154     -1.00329944     -0.16010399
+H      2.68344302      1.67039201      1.00807298
+H      2.14405661      1.47542810     -0.68918374
+H      5.73305979      0.94421183     -0.77952102
+H      4.87894037      2.23270971      0.10689484
+H      3.72020039      3.00170915     -3.90397331 
+
+13
+-1401.4046293321644 11.439555 12.57845 -10.095 -7.7297 -9.851 1.3026 -0.2587 1.985 9.68675 -1.64437 4.3882860924 10.7331208592 0.67104358
+C      1.54127246     -0.96656723      0.61820245
+C      2.62044442     -0.59878540      0.20594669
+C      3.90656799     -0.18010998     -0.32733402
+O      4.56786601      0.67552599      0.61822147
+C      5.81274163      1.16415385      0.11262564
+C      6.82377613      0.12574554     -0.09539373
+C      7.64825426     -0.74578704     -0.27958749
+H      0.58963568     -1.28664266      0.99072043
+H      3.75624524      0.35957011     -1.28441624
+H      4.53139563     -1.06748594     -0.54228013
+H      6.16603105      1.88618583      0.86353473
+H      5.65666716      1.71590303     -0.83636714
+H      8.38195235     -1.51167610     -0.42970266 
+
+17
+-1730.84827746033 13.408806 14.31109 -7.9581 -5.949 -8.594 0.9515 0.125 1.239 8.2208 -0.84129 5.6899283162 5.6899283162 0.582074028
+C      0.54007255      0.79202533      0.31692261
+C      2.03224164      0.75500345      0.43781670
+C      2.82987151      1.73329812     -0.00577399
+O      4.19889939      1.66703911      0.12628577
+C      4.93286417      2.71946008     -0.37345598
+C      6.26587303      2.76095821     -0.26653408
+C      7.09939035      3.88446131     -0.80098669
+H      0.16206798     -0.06169692     -0.26825639
+H      0.19661238      1.71359788     -0.17441898
+H      0.05514958      0.73753598      1.30492232
+H      2.49440470     -0.11425686      0.91375920
+H      2.44958784      2.63787165     -0.49359590
+H      4.34882028      3.50799031     -0.86127820
+H      6.77112814      1.93184335      0.23647070
+H      6.47996455      4.65321595     -1.28477946
+H      7.83003212      3.52563385     -1.54368995
+H      7.67691979      4.37344923      0.00000233 
+
+19
+-1874.0508402889639 12.752712 13.99311 -8.1086 -6.136 -8.885 0.9469 0.0544 1.406 8.42451 -0.83653 6.0750288322 6.0750288322 0.370121587
+C      1.50587874      0.41621717     -0.62366585
+C      2.47125913      0.97730971      0.37555496
+C      3.45775684      1.82581795      0.05297730
+O      4.27557072      2.40255442      0.98874735
+C      5.52916889      2.91958382      0.47451966
+C      6.04336737      3.91149405      1.50672423
+C      6.50725293      1.78032587      0.20167194
+H      1.51675274     -0.68612623     -0.62212830
+H      1.74132805      0.75272192     -1.64422247
+H      0.46900775      0.72092991     -0.40388612
+H      2.35452492      0.69402439      1.42566827
+H      3.63192296      2.14346118     -0.98475077
+H      5.31125060      3.45340187     -0.47167056
+H      6.23020874      3.40394469      2.46418802
+H      5.31055302      4.71160108      1.67517786
+H      6.98464742      4.36325998      1.16491935
+H      6.73268358      1.24129892      1.13356508
+H      7.44786033      2.17114230     -0.21274039
+H      6.08679528      1.06323701     -0.51714956 
+
+17
+-1731.1216797372638 13.227835 13.66434 -7.9572 -5.9779 -8.63 0.8201 -0.0217 1.165 8.17986 -0.78129 5.7009630702 5.7009630702 0.545401655
+C      0.62218636      0.88204475      0.95590328
+C      1.97917297      1.51528827      0.95128831
+C      2.37850167      2.39057345      0.01866101
+O      3.63416411      2.94936364      0.07128741
+C      4.08040867      3.83623994     -0.89649371
+C      3.18852412      4.16700455     -2.05520918
+C      5.31140886      4.34585008     -0.72586645
+H      0.06917719      1.12205496      1.87839465
+H      0.68870475     -0.21704818      0.90499851
+H      0.01400720      1.22020703      0.10438891
+H      2.67820827      1.25326538      1.75051432
+H      1.73302869      2.69740547     -0.80670148
+H      2.91929458      3.27137937     -2.63604072
+H      3.71439738      4.85952490     -2.72169513
+H      2.25364230      4.65076584     -1.73205598
+H      5.91640967      4.07145880      0.13664452
+H      5.71810320      5.04259175     -1.45441826 
+
+17
+-1725.9923899964983 12.552548 13.66671 -8.4416 -6.3871 -9.048 1.5729 -0.1726 1.255 9.20624 -0.70661 6.0815876916 6.7899569054 0.425732797
+C      1.44217885      5.77939440     -0.69994444
+C      2.72719737      5.00374078     -0.73129665
+C      2.75730326      3.66028410     -0.71556407
+O      3.84251289      2.82826295     -0.73906962
+C      5.13016972      3.46913887     -0.76913026
+C      6.18714139      2.41182537     -0.73598491
+C      7.20676761      2.35022377     -1.59734137
+H      1.38740941      6.43847975      0.18163940
+H      0.57005362      5.11037871     -0.67079860
+H      1.33784083      6.42604737     -1.58621298
+H      3.65442370      5.57955302     -0.76915746
+H      1.84001549      3.06595513     -0.68245337
+H      5.21600452      4.13111313      0.11472368
+H      5.22058789      4.09406873     -1.67566085
+H      6.10025925      1.67928202      0.07255023
+H      7.30505372      3.06783902     -2.41579745
+H      7.98055047      1.58646288     -1.51125127 
+
+15
+-1566.8388161483335 12.103392 13.40105 -8.6746 -6.5846 -9.145 0.915 0.0104 1.173 8.67006 -0.59573 4.4190098232 10.7164571408 0.792656811
+C      0.11852744      0.26731499     -0.24910264
+C      1.53091018     -0.05232466      0.14679537
+C      2.57384650      0.70030837     -0.24142261
+O      3.90474973      0.53426176      0.03775403
+C      4.22206258     -0.60219894      0.85850718
+C      5.65858497     -0.66191000      1.07429589
+C      6.84951486     -0.75234269      1.28113057
+H     -0.33875916     -0.55880078     -0.81696357
+H      0.07115196      1.16963075     -0.87523770
+H     -0.51946705      0.43781943      0.63291793
+H      1.68051456     -0.93478200      0.77274364
+H      2.44384917      1.58676567     -0.86753120
+H      3.87271855     -1.52760531      0.36320607
+H      3.69433349     -0.52008643      1.82727343
+H      7.90362222     -0.82206015      1.45721361 
+
+17
+-1734.319842747757 12.148236 12.88509 -8.6985 -6.6422 -9.15 0.9194 0.0179 1.2 8.64023 -0.87822 6.0993300882 6.0993300882 0.31659864
+C      1.68236250     -0.96382622     -1.04054062
+C      3.15915202     -0.96420584     -0.79556393
+C      3.95259551     -2.04723403     -0.80129085
+O      3.59630369      0.32471801     -0.52869346
+C      4.97409654      0.58487924     -0.57249501
+C      5.54437620      0.66985041     -1.95574803
+C      5.61837749      0.83719716      0.57125151
+H      1.43770712     -0.36946273     -1.93361734
+H      1.15546888     -0.50570051     -0.19034842
+H      1.31135049     -1.98546118     -1.17857247
+H      3.52348146     -3.02395174     -1.01332184
+H      5.01694120     -1.98556877     -0.57948929
+H      5.04431555      1.47443858     -2.51662405
+H      5.38135330     -0.26636698     -2.50875008
+H      6.62025297      0.87871154     -1.92226056
+H      5.10309638      0.76822186      1.52835592
+H      6.66791869      1.12798120      0.56060850 
+
+17
+-1729.607355474064 12.464024 13.41381 -8.6298 -6.5851 -9.174 1.5019 -0.1923 1.251 9.21942 -0.69916 6.2146866626 6.7855430038 0.445983317
+C      0.35655447     -2.02963801      0.10468266
+C      1.78587249     -2.16920922     -0.32674740
+C      2.49181876     -3.31460638     -0.27393660
+O      2.25573390     -0.96190500     -0.78181449
+C      3.62480739     -0.92284718     -1.22304536
+C      3.95321610      0.48169008     -1.61817449
+C      4.51310133      0.81630156     -2.78444621
+H     -0.26629387     -1.69118992     -0.73657610
+H      0.26763236     -1.27575449      0.90092949
+H     -0.03314259     -2.98486191      0.47373228
+H      2.01187548     -4.21254115      0.10899545
+H      3.52670160     -3.39884516     -0.59686727
+H      3.76992891     -1.61837986     -2.06830728
+H      4.27447368     -1.25240961     -0.38957698
+H      3.73273757      1.24955680     -0.87002452
+H      4.73315156      0.06490103     -3.54698709
+H      4.77663087      1.84922840     -3.01489608 
+
+15
+-1570.5068843387364 11.992561 13.09685 -8.8567 -6.78 -9.269 1.0289 -0.0602 1.197 8.66079 -0.61174 4.4178195576 10.6803524176 0.708002511
+C      0.34778820      0.28667181     -0.01144800
+C      1.65023537     -0.45514323     -0.01243738
+C      1.77142645     -1.79475270     -0.06360633
+O      2.69173593      0.44153563      0.04560838
+C      4.01273428     -0.12547775      0.05049947
+C      4.99705476      0.94266593      0.11693763
+C      5.85147816      1.80101880      0.16767881
+H      0.29032109      0.96067426     -0.87887926
+H      0.26207870      0.90849395      0.89172729
+H     -0.49588589     -0.41136931     -0.04576518
+H      0.87130368     -2.40390802     -0.10678902
+H      2.72526117     -2.31694882     -0.06475665
+H      4.16379874     -0.72586445     -0.86565241
+H      4.12466992     -0.80134058      0.91842488
+H      6.59688943      2.56883450      0.21184778 
+
+15
+-1608.7569113831985 13.467011 12.81 -9.0213 -7.096 -8.931 -0.6958 -2.2625 -1.235 8.44432 1.85735 3.3296192328 4.1850110454 0.769578451
+C      0.86652707      0.20766768     -0.05164586
+C      2.21114288     -0.45766488     -0.00721047
+C      2.20838504     -1.93051230      0.05172110
+O      1.18220420     -2.60419546      0.06204196
+C      3.37498820      0.25892292     -0.01867407
+C      4.73663729     -0.22992492      0.01603387
+C      5.80024725      0.59966647      0.00833535
+H      0.96077144      1.29948053     -0.10091188
+H      0.27146228     -0.06199431      0.83348967
+H      0.29017941     -0.14294880     -0.92055214
+H      3.20338183     -2.43257546      0.08921493
+H      3.28522709      1.35184931     -0.05977111
+H      4.91384885     -1.30696033      0.04875115
+H      5.67134254      1.68421522     -0.02413219
+H      6.82115463      0.21938432      0.03435967 
+
+13
+-1450.9865132961531 12.401132 12.28303 -9.4164 -7.4141 -9.168 -0.826 -2.4582 -1.202 8.74786 1.73976 3.2773095394 4.073436044 0.393324306
+C      0.84140081      0.12064908     -0.00450630
+C      2.33378363      0.00732349     -0.00503021
+C      2.91836056     -1.35045237     -0.01091441
+O      2.24416761     -2.37366484     -0.01552552
+C      3.15738396      1.09495128     -0.00021528
+C      4.57069254      1.08410720     -0.00017253
+C      5.78536370      1.18158042      0.00019623
+H      0.51441079      1.16745267      0.00015348
+H      0.41838672     -0.39370441      0.87109322
+H      0.41834905     -0.38590834     -0.88462001
+H      4.03326106     -1.38954489     -0.01121763
+H      2.70248602      2.09203030      0.00418630
+H      6.85475355      1.24193042      0.00044266 
+
+17
+-1744.867044263353 11.728321 12.5573 -9.3524 -7.2286 -9.592 0.7286 -1.0971 -0.202 8.96435 0.8277 3.6743127114 5.6544187258 0.195090647
+C      0.89758392     -0.24383484      0.17819934
+C      2.34229896      0.15942272     -0.12041278
+C      3.06111961     -0.86229171     -1.00117343
+O      2.54143970     -1.83113936     -1.51986498
+C      2.51081023      1.52790235     -0.77257577
+C      1.65165382      1.82060971     -1.97433326
+C      3.42492263      2.39933740     -0.31714080
+H      0.41568307      0.50247786      0.82403102
+H      0.87076206     -1.21698936      0.68587947
+H      0.31005885     -0.34581045     -0.74327191
+H      2.93005033      0.17899249      0.81649269
+H      4.14879415     -0.63771271     -1.15288031
+H      1.74063366      1.02841372     -2.73495205
+H      1.93158767      2.77624419     -2.43511932
+H      0.58653144      1.87291918     -1.70073742
+H      4.03931802      2.18014084      0.55837494
+H      3.57840190      3.36542797     -0.80203543 
+
+19
+-1878.6815016804585 12.244807 13.24752 -9.6562 -7.5059 -9.63 1.3049 -0.2389 1.194 9.08525 -0.62547 6.6253530918 6.6253530918 0.441018463
+C      0.77861773     -0.02137570     -0.06694081
+C      2.29386707     -0.20589143      0.10714840
+C      2.59496416     -0.99983067      1.37809372
+O      2.81926789     -0.99851193     -0.97654695
+C      3.04101664      1.16095383      0.15530106
+C      2.89676640      1.96548369     -1.10224122
+C      3.84078248      2.06654261     -2.04926454
+H      0.54382318      0.49470127     -1.00897102
+H      0.34721130      0.56116900      0.76132607
+H      0.28926337     -1.00481596     -0.09270800
+H      2.20913132     -0.47977718      2.26603329
+H      3.67838675     -1.14171111      1.49310587
+H      2.12326669     -1.99077336      1.32137188
+H      2.84250975     -0.42044049     -1.76358908
+H      4.10564743      0.94678989      0.33798018
+H      2.66105733      1.73488185      1.01690402
+H      1.93985902      2.47496820     -1.26009132
+H      4.81580894      1.58611413     -1.93128214
+H      3.67897254      2.64439336     -2.96057942 
+
+17
+-1721.1025950770327 11.754845 12.98667 -9.8627 -7.5563 -9.83 0.7727 -0.2463 2.244 9.41421 -1.94782 4.364865137 10.3595510412 0.331561364
+C      0.84075759      0.19261075     -0.06144214
+C      2.36281999      0.01471629      0.01536051
+C      2.76596690     -0.76300573      1.26648849
+O      2.82363848     -0.78136663     -1.09241823
+C      3.03539011      1.42144031     -0.01357502
+C      4.48969198      1.40924903      0.05178111
+C      5.70203780      1.40778491      0.11013628
+H      0.55264984      0.73880555     -0.97383655
+H      0.45543944      0.75416359      0.80241586
+H      0.35407721     -0.79169336     -0.08270553
+H      2.44500614     -0.23399870      2.17447993
+H      3.85589690     -0.88866059      1.29808732
+H      2.29745265     -1.75622587      1.25296541
+H      2.58492114     -0.31898408     -1.91563943
+H      2.63761293      2.01972388      0.82403440
+H      2.71670449      1.94049266     -0.93549666
+H      6.77150640      1.40033799      0.15957427 
+
+21
+-2015.10886930882 12.42044 13.84432 -9.1867 -7.1937 -11.228 0.9011 0.0004 3.131 10.46706 -3.14152 9.0385050084 12.715818181 0.207488675
+C      2.81457801     -1.04384665      1.24542271
+C      3.47088443     -0.85210066     -0.12367505
+C      2.50526023     -1.13254613     -1.26877196
+O      3.92677164      0.50337537     -0.29009108
+C      5.21325839      0.79019280      0.28869397
+C      6.34354386      0.35535531     -0.64693118
+C      5.24296705      2.28815417      0.56720164
+H      3.50736621     -0.79797081      2.06266570
+H      2.49564762     -2.08801506      1.38097478
+H      1.93171477     -0.39388217      1.33467059
+H      4.33410361     -1.54131551     -0.20918923
+H      1.66689091     -0.42122627     -1.23637153
+H      2.09878506     -2.15118439     -1.19537632
+H      3.01170484     -1.02333592     -2.23696813
+H      5.31123403      0.24732860      1.24975043
+H      6.27789090      0.90516095     -1.59742077
+H      6.29450374     -0.72053611     -0.86716726
+H      7.32455595      0.55824001     -0.19207780
+H      5.09339369      2.84762351     -0.36798631
+H      6.20957219      2.58504968      0.99806180
+H      4.44383288      2.56747929      1.26662500 
+
+19
+-1877.773588020331 12.29626 13.41051 -8.4162 -6.4166 -9.034 0.9151 0.0196 1.349 8.44343 -0.7734 6.1508710684 6.1508710684 0.3285146
+C      1.01228808     -0.46978952      0.06341334
+C      2.50316872     -0.32332220     -0.23072350
+C      2.92553273     -1.04515252     -1.50313579
+O      2.84504921      1.07274380     -0.43176448
+C      3.03317196      1.87594526      0.66400136
+C      3.35215104      3.27186968      0.21407738
+C      2.95815642      1.50322204      1.95657539
+H      0.71764198      0.12342251      0.93847278
+H      0.76406908     -1.52264106      0.26058958
+H      0.42261725     -0.13161976     -0.80123947
+H      3.10042943     -0.70375720      0.61679649
+H      2.37930006     -0.64648574     -2.37027286
+H      2.70676171     -2.11877608     -1.41966725
+H      4.00178704     -0.92078048     -1.68207236
+H      4.24306299      3.27310591     -0.43147101
+H      3.53255270      3.92684516      1.07380372
+H      2.52042704      3.68222076     -0.37818086
+H      2.71118226      0.49571313      2.28309804
+H      3.15456029      2.24379631      2.72872951 
+
+19
+-1866.6654977543578 12.546219 13.81819 -9.4081 -7.2965 -9.654 1.3888 -0.0284 1.338 9.12966 -0.78843 6.757732944 6.757732944 0.450936627
+C      0.23282082     -0.38364229      0.48086260
+C      1.62995865     -0.38416479     -0.14402119
+C      1.98162691     -1.73239453     -0.75951903
+O      1.75324743      0.58458819     -1.20283374
+C      1.81964412      1.93668606     -0.74629732
+C      2.02210406      2.83545331     -1.92655406
+C      2.96158954      3.78318943     -1.99849557
+H     -0.01569087      0.58420305      0.93757419
+H      0.16992250     -1.14586615      1.27110127
+H     -0.52440293     -0.61247485     -0.28380632
+H      2.37661849     -0.13751357      0.64011460
+H      1.26987426     -1.98143276     -1.56029585
+H      1.94116071     -2.52561090     -0.00014297
+H      2.99128402     -1.70741485     -1.19004975
+H      2.64553809      2.06115322     -0.01697121
+H      0.87807866      2.22011284     -0.23289221
+H      1.31974719      2.68897420     -2.75358132
+H      3.67836352      3.93758512     -1.18764569
+H      3.04363484      4.44121927     -2.86472641 
+
+17
+-1708.044009931809 12.042487 13.48197 -9.6999 -7.4645 -9.837 0.9355 -0.0769 2.313 9.72396 -1.91229 4.4111863066 10.9743356222 0.495614504
+C      0.87983380     -0.82450644      0.73144449
+C      2.01310315     -0.90130221     -0.28245550
+C      2.74177445     -2.24551692     -0.23480723
+O      1.40997628     -0.65418800     -1.57006741
+C      2.36130972     -0.34168994     -2.58759035
+C      1.67289023      0.08486078     -3.79880275
+C      1.13606699      0.44194231     -4.82582582
+H      0.37768477      0.15002567      0.67445016
+H      1.26606939     -0.96384228      1.75053285
+H      0.13650236     -1.60964105      0.53061907
+H      2.73977921     -0.08662587     -0.07955198
+H      2.04183968     -3.06378051     -0.45939201
+H      3.16204234     -2.41309185      0.76744791
+H      3.57416828     -2.29362587     -0.95048401
+H      2.99928617     -1.21435306     -2.82863759
+H      3.03632216      0.46961507     -2.24436331
+H      0.65125104      0.75737017     -5.72705654 
+
+17
+-1736.2943627268494 13.474529 13.44905 -8.5517 -6.5525 -8.293 0.4443 -1.0362 0.23 7.78007 0.37357 4.9198636688 4.9198636688 0.803078386
+C      0.92133805      0.11476319     -0.07252232
+C      2.38302240     -0.23215942     -0.12843464
+C      2.68920096     -1.66139028     -0.50258589
+O      2.23493561     -2.59435554      0.50026205
+C      3.33936340      0.68666827      0.16337061
+C      4.77902765      0.50648815      0.16077331
+C      5.65223654      1.49044130      0.45548359
+H      0.75502545      1.12912362      0.31285844
+H      0.37562934     -0.59966616      0.56246326
+H      0.46866328      0.04817820     -1.07647491
+H      3.75960792     -1.81036211     -0.71561756
+H      2.13187174     -1.93710127     -1.41197320
+H      2.68212465     -2.35341992      1.33179478
+H      3.00106225      1.69389913      0.43680869
+H      5.17706304     -0.48089624     -0.09117315
+H      5.30866174      2.49564638      0.71173063
+H      6.72860600      1.31962269      0.44696630 
+
+15
+-1579.854711519665 12.512214 12.89416 -8.9568 -6.8673 -8.509 0.4284 -1.0782 0.459 8.07094 0.1551 4.0522096408 5.787914452 0.398109532
+C      0.85613918      0.13905144      0.00243197
+C      2.35128834      0.02463819      0.00551087
+C      2.92141403     -1.37134815     -0.04251441
+O      2.54035838     -2.07083962     -1.24280879
+C      3.15135271      1.12029326      0.03464956
+C      4.56899456      1.11127155      0.03462634
+C      5.78636134      1.16791131      0.02910890
+H      0.52229472      1.18238761     -0.06397026
+H      0.43434738     -0.30373620      0.92036205
+H      0.42974321     -0.42759441     -0.83893740
+H      2.50559067     -1.97416830      0.78089128
+H      4.01674953     -1.34284761      0.07259742
+H      2.96711815     -1.60901317     -1.98692234
+H      2.68500918      2.11131796      0.06258412
+H      6.85618861      1.20955614      0.02214069 
+
+19
+-1876.8082099110031 12.11039 13.08898 -9.4861 -7.3228 -9.228 1.3009 -0.0933 1.273 8.58468 -0.62593 6.2998154502 6.2998154502 0.391724253
+C      1.37106262     -0.34198777      0.24059283
+C      2.48828876      0.42516125     -0.47988194
+C      2.95291269     -0.35206393     -1.73210619
+O      4.08979474      0.22839973     -2.36314445
+C      2.10921095      1.84412221     -0.87082073
+C      0.76611806      2.06598915     -1.51742896
+C      2.98041140      2.85462764     -0.69729442
+H      1.01936496      0.20701422      1.12556670
+H      1.73674581     -1.32299816      0.57679533
+H      0.50506958     -0.51786171     -0.41505761
+H      3.36285274      0.48773212      0.18941919
+H      2.10742076     -0.44922368     -2.44341330
+H      3.25190819     -1.36929177     -1.43562238
+H      3.92196981      1.19095040     -2.40861674
+H     -0.05248862      1.85230596     -0.81248990
+H      0.61624691      1.39987122     -2.38228927
+H      0.65681697      3.10276448     -1.86068725
+H      3.94499185      2.69528893     -0.21029794
+H      2.74400182      3.87302972     -1.01405296 
+
+19
+-1872.724310985344 12.303974 13.46874 -9.5575 -7.3217 -9.614 1.0752 -0.1047 1.23 9.07315 -0.66135 6.6437526142 6.6437526142 0.451544913
+C      0.91780858     -0.28305749      0.59657908
+C      1.82167908     -0.64209738     -0.58584767
+C      1.10724543     -1.57842162     -1.57002303
+O      0.70777112     -2.82699441     -0.98752782
+C      2.32808015      0.62839479     -1.30695243
+C      3.40271794      0.38299351     -2.32649104
+C      3.36008281      0.75955092     -3.60998630
+H      1.46360043      0.29713176      1.35510586
+H      0.51883696     -1.18930966      1.07162460
+H      0.06178499      0.32397579      0.25973283
+H      2.70839066     -1.18250740     -0.19889657
+H      1.73818242     -1.74408191     -2.46097331
+H      0.17155083     -1.10621173     -1.91245218
+H      1.51589441     -3.33714413     -0.80340008
+H      2.72473951      1.31215830     -0.53480079
+H      1.47652057      1.15137687     -1.77641548
+H      4.29583359     -0.13926919     -1.96011305
+H      2.49322632      1.28369824     -4.02136359
+H      4.18883420      0.56271477     -4.29175902 
+
+17
+-1717.37516353005 11.780906 13.10521 -9.9061 -7.5866 -9.925 0.9091 -0.055 2.198 9.51316 -1.80396 4.3537807886 10.6160284808 0.411496207
+C      0.94608668     -0.01656453      0.19671710
+C      2.45691884     -0.04545507     -0.04158619
+C      2.80977162     -0.78962101     -1.33685961
+O      2.40406455     -2.16437169     -1.32791204
+C      3.03383352      1.39219777     -0.06745304
+C      4.49013419      1.45553707     -0.10541285
+C      5.70389550      1.49071959     -0.12837981
+H      0.70087105      0.41940834      1.17608282
+H      0.53326912     -1.03315081      0.15622546
+H      0.43953354      0.58222611     -0.57761034
+H      2.94339787     -0.57939837      0.79544210
+H      3.89083860     -0.69697941     -1.53917489
+H      2.27109389     -0.33186759     -2.18328845
+H      2.99842016     -2.64241160     -0.72365841
+H      2.67615376      1.93478214      0.82355923
+H      2.62115600      1.93322715     -0.93801818
+H      6.77363110      1.53115190     -0.15287290 
+
+17
+-1754.2962295582397 12.183077 13.298 -9.0515 -7.1809 -10.041 0.1166 -1.5283 -0.593 9.17924 1.21742 3.463424924 5.3793929806 0.496081794
+C      1.11387806     -0.30137383     -0.07051691
+C      2.63219126     -0.15495400     -0.07778867
+C      3.09983104      1.29555938      0.02788175
+O      2.29226351      2.21988266      0.12295034
+C      4.55144649      1.59624094      0.01607003
+C      5.54586961      0.69410505     -0.08440000
+C      7.00188591      1.02451405     -0.09428718
+H      0.82868081     -1.35970680     -0.14453497
+H      0.66163769      0.24094266     -0.91128907
+H      0.68238322      0.11259102      0.85023129
+H      3.06330576     -0.58935054     -0.99600487
+H      3.08397652     -0.72034691      0.75551055
+H      4.77972730      2.66388727      0.09901756
+H      5.29495810     -0.36926348     -0.16664946
+H      7.17757810      2.10448099     -0.00506765
+H      7.47627083      0.66772673     -1.02274261
+H      7.52344577      0.51466482      0.73168988 
+
+19
+-1894.4112782869654 11.69188 13.2242 -9.0625 -7.0754 -10.46 1.2196 -0.4615 0.354 9.49275 0.41061 3.7611525058 11.4231649422 0.202794101
+C      0.91557066      0.53190401     -0.80961361
+C      2.30038965      0.57462913     -0.17473036
+C      3.10462311      1.82396889     -0.50676757
+O      2.60766740      2.77941966     -1.08683443
+C      4.58264199      1.81145322     -0.09517947
+C      5.40671263      1.26752589     -1.28009340
+C      5.06095869      3.20359104      0.32385575
+H      0.37229172     -0.37191261     -0.50239770
+H      0.98577747      0.53741301     -1.90613762
+H      0.32547723      1.41110129     -0.51934658
+H      2.90405728     -0.30863467     -0.44796962
+H      2.23350833      0.53463530      0.92853177
+H      4.69339013      1.10868777      0.74957257
+H      5.31126574      1.93651450     -2.14779218
+H      5.08202809      0.26202404     -1.58491986
+H      6.47011365      1.20903739     -1.00666771
+H      4.90758309      3.92107325     -0.49381668
+H      6.13021828      3.18252720      0.57806826
+H      4.50729487      3.57207169      1.19907843 
+
+17
+-1753.1972877047965 11.757888 12.83012 -9.2128 -7.3032 -10.046 0.0046 -1.6578 -0.644 9.42307 1.23805 3.4412438286 5.3659404996 0.384047657
+C      1.34469231     -0.01171984     -0.12600925
+C      2.83502952     -0.27029518      0.06883752
+C      3.68856942      0.98506880     -0.09362457
+O      3.17386049      2.06890829     -0.35953797
+C      5.18102126      0.89806696      0.07397293
+C      5.93062434      2.18854325     -0.10364277
+C      5.79361699     -0.26577006      0.36322468
+H      0.77398943     -0.94166867      0.00036061
+H      1.14072877      0.38837925     -1.12790719
+H      0.97356819      0.72547409      0.59809306
+H      3.19687899     -1.02799674     -0.64658526
+H      3.03067468     -0.69374903      1.06840847
+H      5.75362506      2.60482199     -1.10582148
+H      7.00810329      2.04228707      0.04044102
+H      5.57054847      2.94692514      0.60625266
+H      5.24502482     -1.19891227      0.49034648
+H      6.87790397     -0.31642306      0.48200107 
+
+15
+-1596.5432553323292 11.824363 13.24879 -9.3386 -7.4636 -10.038 0.1317 -1.555 -0.366 9.38768 1.03133 3.524983973 10.1009782382 0.465939269
+C      2.66654274     -0.54393299      1.41120521
+C      2.39696068     -0.01082252     -0.00347113
+C      2.87418523      1.42000947     -0.19822638
+O      2.11050854      2.34708930     -0.45689127
+C      4.30142689      1.64068790     -0.05985492
+C      5.50218717      1.82828066      0.04295493
+C      6.92671982      2.07668975      0.15899007
+H      2.31977096     -1.58228178      1.50056430
+H      2.13749763      0.05669229      2.16458049
+H      3.73957571     -0.52185541      1.64852678
+H      1.32322411     -0.02429460     -0.23683301
+H      2.91879003     -0.64371553     -0.74115723
+H      7.14900600      3.15243919      0.11526402
+H      7.47330396      1.58069376     -0.65696468
+H      7.31732055      1.68123051      1.10827284 
+
+17
+-1748.9566844232277 11.780342 12.84003 -9.1072 -7.0728 -9.774 0.8345 -0.8622 0.054 9.46109 0.63132 3.7193196294 6.1287271688 0.273259584
+C      1.29466044     -0.58434689      0.03871237
+C      2.77955099     -0.27774206     -0.11259240
+C      3.12319740      1.20033741     -0.05345350
+O      2.27506416      2.07763322     -0.00124638
+C      4.62079480      1.54492267     -0.02469139
+C      5.07921313      1.68897976      1.40197363
+C      5.99924138      0.91710414      1.99207105
+H      1.11055553     -1.66401383     -0.04193017
+H      0.70686095     -0.07137545     -0.73370650
+H      0.92060106     -0.24121614      1.01267254
+H      3.17162161     -0.65641795     -1.07450592
+H      3.38508966     -0.78770668      0.65735597
+H      4.73927358      2.50105598     -0.55734373
+H      5.21036760      0.76838454     -0.53502336
+H      4.58765551      2.48285073      1.97389415
+H      6.50977231      0.11731012      1.44925171
+H      6.28059988      1.06770044      3.03510193 
+
+15
+-1592.1518736929613 11.233859 12.46222 -9.3601 -7.2981 -10.106 1.0053 -0.7472 0.146 9.65393 0.63502 3.7263620342 10.6982311988 0.691667903
+C      1.43114298     -0.59137535     -0.24464344
+C      2.80382463     -0.04425765      0.12582892
+C      2.91607864      1.45973462      0.01378586
+O      1.98057305      2.18306121     -0.28246672
+C      4.30953332      2.09783262      0.24431323
+C      5.25934820      1.34768313      1.04869664
+C      6.04656768      0.72081692      1.72792108
+H      1.41011154     -1.68424523     -0.13949050
+H      1.17100755     -0.33771693     -1.28120275
+H      0.65068854     -0.16489951      0.39896723
+H      3.60673091     -0.48441876     -0.49267584
+H      3.08898746     -0.31046889      1.15896352
+H      4.13563491      3.09924108      0.66599526
+H      4.72617775      2.26232653     -0.76593048
+H      6.74031284      0.17137620      2.33103799 
+
+19
+-1877.8685372953296 12.505177 13.98707 -9.2838 -7.074 -9.15 0.9229 -0.0129 1.326 8.62521 -0.69682 6.2971993456 6.2971993456 0.417095057
+C      0.96888079     -0.14043440     -0.35342580
+C      2.43788475     -0.12983277      0.06699277
+C      3.05273613      1.28218888      0.09339225
+O      2.35285561      2.14826845      0.99742124
+C      4.53887650      1.23173658      0.35195015
+C      5.20504480      2.00509840      1.21929828
+C      6.67971875      1.93817544      1.47461095
+H      0.55040568     -1.15567966     -0.31112969
+H      0.85165594      0.22827207     -1.38406668
+H      0.36968499      0.50695872      0.30121029
+H      3.03383085     -0.75557241     -0.61852712
+H      2.55634678     -0.57715360      1.07029907
+H      2.88355430      1.74262741     -0.89882854
+H      2.52515674      1.81279645      1.89754669
+H      5.09023939      0.48712757     -0.23565023
+H      4.64311909      2.76300267      1.77689655
+H      7.16457453      1.16424617      0.86319720
+H      6.89223900      1.72093818      2.53390195
+H      7.16233541      2.90371586      1.25284067 
+
+21
+-2019.3508083641582 12.264567 13.82851 -9.8701 -7.7186 -11.788 0.8876 -0.0465 2.755 11.33315 -2.4488 9.54878179 10.1823998444 0.093032263
+C      1.52100180     -0.50372979     -0.81025578
+C      2.79269036     -0.52678912      0.04036444
+C      3.60379643      0.77345529     -0.03968306
+O      2.78750873      1.90446148      0.32801104
+C      4.91620732      0.75244643      0.77728014
+C      5.83345225     -0.41896476      0.39805833
+C      5.66774224      2.08241759      0.63344316
+H      0.95575131     -1.44015509     -0.70171495
+H      1.76468264     -0.38142431     -1.87691007
+H      0.86655403      0.33066611     -0.52444196
+H      3.42716544     -1.36926283     -0.27532834
+H      2.53715992     -0.71623904      1.10058371
+H      3.85967387      0.96737482     -1.09855942
+H      2.51071699      1.76689848      1.25313209
+H      4.62769182      0.63001031      1.84113770
+H      6.06616283     -0.40190105     -0.67944451
+H      5.39414719     -1.39711832      0.63511963
+H      6.78798937     -0.34642055      0.93975146
+H      6.02863748      2.21139806     -0.40008725
+H      6.54367208      2.10997340      1.29784562
+H      5.02046589      2.93622288      0.86999802 
+
+19
+-1876.816093986774 12.180057 13.4469 -9.5302 -7.35 -9.427 1.1138 -0.1702 1.251 8.79679 -0.61121 6.450929587 6.450929587 0.381438959
+C      1.16902818     -0.10989262     -0.46060453
+C      2.53549333     -0.29170627      0.20257270
+C      3.36956641      0.99263293      0.19600592
+O      2.69217087      2.06569622      0.89764828
+C      4.79398704      0.87030302      0.71979097
+C      5.66627179      2.07038077      0.45988432
+C      5.23950251     -0.20523241      1.38834189
+H      0.57686650     -1.03407686     -0.40587437
+H      1.27758199      0.15493214     -1.52368014
+H      0.60035661      0.69385826      0.02650165
+H      3.10320040     -1.08177612     -0.31543887
+H      2.40207795     -0.63180069      1.24453603
+H      3.42192514      1.36323537     -0.84458298
+H      2.72919677      1.83890242      1.84579964
+H      5.83750420      2.19481886     -0.62238699
+H      6.64207910      1.97779399      0.95388307
+H      5.17497610      2.99118951      0.80725383
+H      4.61700197     -1.08236222      1.56759065
+H      6.26016313     -0.24095629      1.77510892 
+
+17
+-1723.8545528757986 12.245953 14.1951 -9.6097 -7.3156 -9.353 0.7913 -0.1319 2.207 8.92288 -1.77939 4.149687434 9.7282391264 0.335540252
+C      0.92175478     -0.05128105     -0.04284518
+C      2.44743529     -0.01454675      0.02532968
+C      3.00781405      1.42201986      0.04279743
+O      2.50445108      2.18113358      1.16506402
+C      4.47110590      1.43146256      0.00139282
+C      5.68800400      1.42167322      0.00976318
+C      7.14303157      1.42693556      0.00005891
+H      0.55186569     -1.08541044     -0.00826628
+H      0.55514028      0.40430355     -0.97563133
+H      0.47942111      0.50171620      0.79674995
+H      2.88829597     -0.54051507     -0.83693933
+H      2.81030021     -0.53503685      0.92766451
+H      2.61990302      1.95912332     -0.84145068
+H      3.05540605      1.94172000      1.93249050
+H      7.53724731      2.45388463     -0.01813743
+H      7.53118120      0.90304964     -0.88621444
+H      7.55106250      0.92399803      0.88939368 
+
+19
+-1875.3321080565654 12.178787 13.23583 -9.6797 -7.4988 -9.647 1.2862 -0.2451 1.193 9.10992 -0.63391 6.6350363984 6.6350363984 0.446518707
+C      3.25231790     -1.21252891     -0.84847625
+C      2.65794870     -0.21345355      0.14755520
+C      3.13568965      1.23449134     -0.03836679
+O      2.39828259      2.12801250      0.80526369
+C      4.65931757      1.44268499      0.15521092
+C      5.11981378      1.11258187      1.54527526
+C      5.37816186      2.02229594      2.49584574
+H      2.78642015     -2.20139968     -0.73514533
+H      4.33575713     -1.34432724     -0.71013085
+H      3.08635583     -0.88701894     -1.88736010
+H      2.86895011     -0.53617651      1.18149098
+H      1.56109881     -0.19737788      0.05108682
+H      2.88874358      1.55273484     -1.06602204
+H      2.76423867      2.02984708      1.70614796
+H      4.87838724      2.49725265     -0.07038228
+H      5.20060161      0.82729497     -0.58136519
+H      5.21383600      0.05039517      1.79764616
+H      5.30966925      3.09367471      2.28928243
+H      5.68495957      1.72877665      3.50112367 
+
+17
+-1720.4423006725624 11.658711 12.92632 -9.9242 -7.6838 -9.955 0.9292 -0.0579 2.183 9.54588 -1.77828 4.3475318942 10.3357457292 0.435080474
+C      1.20371549     -0.39327936     -0.01754538
+C      2.71548995     -0.17380084      0.03714063
+C      3.10189106      1.30475158      0.16203178
+O      2.54237122      1.91877134      1.32679976
+C      4.63629733      1.52439608      0.11446648
+C      5.30959220      0.97726153      1.28625689
+C      5.80971222      0.53385842      2.30086982
+H      0.96091196     -1.46378569     -0.06935525
+H      0.76282632      0.09336975     -0.90128399
+H      0.71580815      0.02809274      0.87184735
+H      3.19001051     -0.58200576     -0.87187392
+H      3.15263304     -0.72422089      0.88799727
+H      2.66579558      1.86277031     -0.68403504
+H      3.02908386      1.55871618      2.09435500
+H      4.83233877      2.60713879      0.06100009
+H      5.04764628      1.07209996     -0.80301053
+H      6.28123606      0.14001587      3.17818903 
+
+19
+-1869.9602819651889 12.539928 13.66043 -8.3051 -6.2362 -8.641 0.8958 -0.007 1.434 8.10926 -0.79848 5.864475807 5.864475807 0.253036761
+C      1.08591145     -0.79090473     -0.63693916
+C      1.98980682     -0.28942278      0.50104561
+C      2.67615835      1.01647940      0.18928982
+O      1.87175841      2.12600392     -0.04574383
+C      0.80406230      2.34734111      0.88025041
+C      4.00689681      1.13979388      0.02273990
+C      4.73336639      2.40466097     -0.31639674
+H      0.59572324     -1.73505891     -0.35928621
+H      1.67310346     -0.96325625     -1.55015918
+H      0.30159494     -0.06118991     -0.88319254
+H      2.77014651     -1.03375389      0.71569804
+H      1.39732010     -0.19834545      1.42787608
+H      0.35590667      3.30780168      0.59726857
+H      1.17854188      2.41501026      1.91606885
+H      0.02876826      1.56456608      0.82525444
+H      4.59872536      0.22620804      0.12345122
+H      4.05287817      3.26519269     -0.31490281
+H      5.20088811      2.34353217     -1.31355247
+H      5.54804277      2.59871172      0.39994999 
+
+19
+-1864.7837013686783 12.272665 13.38385 -9.5341 -7.4455 -9.702 1.3882 -0.1674 1.225 9.13789 -0.65571 6.6922559374 6.6922559374 0.410999051
+C      2.81664655     -0.76872537     -1.42852597
+C      2.58039929     -0.18654671     -0.03483992
+C      3.12846519      1.23422140      0.13940334
+O      2.67969339      1.68307206      1.43337646
+C      2.84441267      3.08342188      1.63012536
+C      4.63093958      1.28747220      0.04995755
+C      5.32201219      2.01067795     -0.83780418
+H      2.40097610     -1.78327147     -1.50096490
+H      3.88802648     -0.82530541     -1.66872394
+H      2.33421021     -0.15548906     -2.20512280
+H      3.03780995     -0.82991880      0.73483185
+H      1.50267196     -0.14806260      0.18804922
+H      2.69478545      1.89292490     -0.64338392
+H      2.44667846      3.30800939      2.62808186
+H      2.27700903      3.66360255      0.87718350
+H      3.90359899      3.39147859      1.58421011
+H      5.15865396      0.68010732      0.79517626
+H      4.81433305      2.62754724     -1.58448118
+H      6.41321750      2.00793394     -0.85710871 
+
+17
+-1707.122920153491 11.865587 13.22923 -9.9245 -7.7472 -9.9 1.0049 0.0361 2.211 9.47375 -1.78498 4.3683491436 10.5757950238 0.580210062
+C      0.94476966      0.17396199     -0.87991871
+C      2.46670022      0.18091447     -0.74408293
+C      2.99501172      1.40945211      0.01142794
+O      2.47160276      1.35943787      1.34519490
+C      2.71519854      2.55179851      2.08651166
+C      4.46420787      1.46077360      0.00016245
+C      5.67797953      1.49393563     -0.00108726
+H      0.60979272     -0.72025688     -1.42369643
+H      0.59003860      1.05537464     -1.43615702
+H      0.46095979      0.17665095      0.10556314
+H      2.94547194      0.16828657     -1.73485628
+H      2.81559562     -0.71552059     -0.20845007
+H      2.61620209      2.32822366     -0.48800781
+H      2.23860780      2.41392021      3.06485289
+H      2.26987266      3.43260729      1.58670821
+H      3.79514165      2.72985152      2.22818352
+H      6.74865684      1.52184844     -0.00109819 
+
+19
+-1872.7492148267095 12.511184 14.05488 -8.4038 -6.2925 -8.987 0.914 0.0212 1.311 8.53253 -0.75316 6.0860883834 6.0860883834 0.331959255
+C      1.66758292     -0.23253743      2.64531859
+C      0.88116720     -0.01721403      1.35120359
+C      1.80273940      0.18602997      0.15943318
+O      0.99896639      0.40263974     -1.00878686
+C      1.67176674      0.60698334     -2.18068675
+C      2.99851973      0.63199138     -2.39481914
+C      3.58952057      0.87025064     -3.75433982
+H      0.99063758     -0.38114888      3.49748465
+H      2.30670406      0.63340677      2.87599004
+H      2.31755151     -1.11838115      2.57927967
+H      0.22460224      0.86209273      1.44496165
+H      0.22791599     -0.88137203      1.15220181
+H      2.44633706     -0.70032241      0.00269468
+H      2.46342503      1.05959418      0.31681429
+H      0.95764022      0.76127504     -2.99456822
+H      3.69677227      0.47570864     -1.56965594
+H      2.80676248      1.01485337     -4.51308474
+H      4.21616429      0.02328496     -4.07840035
+H      4.23470434      1.76382518     -3.76570034 
+
+21
+-2013.3280820708753 12.523912 14.23008 -9.355 -7.2786 -11.387 0.9479 0.0483 3.117 10.6491 -3.2537 9.1812376916 11.1566074408 0.08416119
+C      1.94746241     -1.25122456     -1.55077514
+C      2.97380489     -0.19717140     -1.13203972
+C      2.35431356      1.18689388     -0.99633638
+O      3.37228412      2.11345506     -0.62809138
+C      2.88613214      3.42660959     -0.29918572
+C      4.01505773      4.12921695      0.44430971
+C      2.44246609      4.20617111     -1.53963810
+H      2.41321505     -2.24212786     -1.64216790
+H      1.49424308     -1.00670254     -2.52373342
+H      1.13236015     -1.33439085     -0.81554454
+H      3.78920973     -0.14437095     -1.87088745
+H      3.43679950     -0.47257627     -0.17120475
+H      1.55682338      1.17620653     -0.22327038
+H      1.87746644      1.47621540     -1.95435998
+H      2.01744306      3.31303068      0.38341094
+H      4.89684821      4.22481535     -0.20630275
+H      4.30435905      3.55693997      1.33578498
+H      3.70412236      5.13565534      0.75730627
+H      3.28546367      4.32032098     -2.23741503
+H      2.08998423      5.20795311     -1.25387251
+H      1.61983116      3.70452052     -2.06754674 
+
+19
+-1876.3800934560327 12.435051 13.83053 -8.5737 -6.4886 -9.113 0.9218 0.027 1.335 8.5261 -0.77251 6.2171415854 6.2171415854 0.346358935
+C      1.31685535     -0.29931801      2.10498694
+C      2.02795856     -0.87148676      0.87781156
+C      2.71247202      0.21397875      0.06300306
+O      3.33305188     -0.39965571     -1.07610114
+C      4.02489980      0.41994478     -1.93151491
+C      4.58977544     -0.38378997     -3.06466667
+C      4.17932306      1.75000814     -1.78767254
+H      0.83641415     -1.09690309      2.68755058
+H      0.53488727      0.41967854      1.81757234
+H      2.02042946      0.22152491      2.77192556
+H      1.30907703     -1.39979785      0.23208152
+H      2.78232925     -1.61285812      1.18481819
+H      3.48072845      0.73262158      0.66559705
+H      1.98274755      0.97025678     -0.28104348
+H      5.25147574     -1.17470423     -2.68154948
+H      5.15799911      0.25397476     -3.75083215
+H      3.78116269     -0.87744057     -3.62408026
+H      3.75846780      2.31559049     -0.96004447
+H      4.75263538      2.29822559     -2.53187170 
+
+19
+-1864.9913142417688 12.651482 14.21615 -9.5711 -7.3696 -9.696 1.6438 -0.0394 1.32 9.17191 -0.77349 6.7764796272 6.7764796272 0.453963514
+C     -0.81991857      0.85468663     -1.37428690
+C     -0.02009540      0.35178681     -0.17120284
+C      1.47258882      0.59381614     -0.33460492
+O      2.15343856      0.12697495      0.82811008
+C      3.56320621      0.33660363      0.73896393
+C      4.22623632     -0.24359188      1.94866337
+C      5.07718275      0.42562411      2.73250079
+H     -1.89447614      0.67022639     -1.23947988
+H     -0.51058598      0.35096912     -2.30288589
+H     -0.68495985      1.93716168     -1.52185264
+H     -0.18909170     -0.72649943     -0.02253174
+H     -0.35763068      0.85406633      0.74908372
+H      1.67217569      1.67627352     -0.48164352
+H      1.85446756      0.06672221     -1.23474669
+H      3.79345376      1.41767878      0.64957958
+H      3.95177766     -0.16046618     -0.17652504
+H      3.98673179     -1.29054750      2.16103111
+H      5.32047460      1.47451481      2.54402618
+H      5.56438462     -0.05137013      3.58405131 
+
+17
+-1706.255791510733 12.146267 13.88147 -9.8165 -7.5258 -9.869 0.9481 -0.0448 2.312 9.75261 -1.90214 4.4144347398 11.0190325752 0.457198736
+C      0.34481859     -0.31963687      1.44668253
+C      1.62232424     -0.45953824      0.61725709
+C      2.05961529      0.86495241      0.01183318
+O      3.25342884      0.65525977     -0.74438043
+C      3.70954598      1.87012387     -1.33774938
+C      4.92473352      1.63477458     -2.10509209
+C      5.93717956      1.47791066     -2.75365991
+H      0.04634066     -1.28622103      1.87487086
+H     -0.49449708      0.04564556      0.83538418
+H      0.48123885      0.38496573      2.28123079
+H      1.47280118     -1.18518876     -0.19756769
+H      2.44309386     -0.84823431      1.24024781
+H      2.24322495      1.61401248      0.81061005
+H      1.26201597      1.27287416     -0.64413820
+H      3.90962669      2.63099657     -0.55489779
+H      2.92857810      2.29110186     -2.00459927
+H      6.83128079      1.32952156     -3.32408172 
+
+19
+-1817.980669123342 11.39724 12.99291 -9.9024 -7.701 -11.735 0.9229 -0.0089 3.039 11.01168 -2.86964 9.3661132162 11.2747165044 0.164555767
+C      0.49731123      0.49680357      0.27848377
+C      1.93007875      0.08497248     -0.06333044
+C      2.91515819      1.22965660      0.11731674
+O      4.22950615      0.77300558     -0.20125069
+C      5.21695255      1.79380937     -0.05929785
+C      6.53553063      1.22015169     -0.54529502
+O      6.48800843      0.85383382     -1.92387456
+H     -0.19569636     -0.34536276      0.14731630
+H      0.14878714      1.31732631     -0.36687369
+H      0.41451598      0.83521944      1.32251825
+H      1.98665992     -0.26825763     -1.10540089
+H      2.24831823     -0.75538359      0.57369730
+H      2.89001225      1.59726502      1.16384852
+H      2.64397397      2.08299495     -0.53773937
+H      5.30322994      2.10909412      1.00029331
+H      4.94069050      2.67760517     -0.66728881
+H      6.80934014      0.35401535      0.08672398
+H      7.32494758      1.97962501     -0.44573775
+H      5.69946477      0.28799551     -2.02028909 
+
+13
+-1421.866152542845 10.24799 10.57544 -9.6527 -7.6639 -10.834 -0.5789 -2.3506 -1.303 9.83023 1.82649 3.4004648332 5.5459929688 0.428473901
+C      3.12247358     -0.90161768     -1.43510312
+C      2.84639548     -0.77412587     -0.12705143
+C      3.58934274      0.08331152      0.82524643
+O      3.16451174      0.27316729      1.96090639
+C      4.87255683      0.78445007      0.35246954
+C      4.53238083      2.14736625     -0.22897217
+O      4.70542088      2.45448430     -1.39215426
+H      2.49470136     -1.51617141     -2.08183730
+H      3.95896904     -0.38686729     -1.91079840
+H      1.98663387     -1.28004191      0.32030528
+H      5.42963699      0.20378276     -0.39155052
+H      5.48141682      0.94013126      1.25455086
+H      4.08767984      2.86490071      0.50289869 
+
+15
+-1536.441520612681 10.927379 12.08975 -9.9514 -7.6717 -10.009 0.9712 -1.1284 -0.065 10.168 0.68043 3.6645798104 6.7881467098 0.473437957
+C      1.28163238     -0.36420606     -0.81579163
+C      2.31247223     -0.11838654     -0.00194598
+C      3.05367113      1.18028653      0.03953730
+O      4.45672876      0.92468675     -0.10410027
+C      5.22945419      2.10475334      0.01064022
+C      6.69539045      1.74015048     -0.12758527
+O      7.59409758      2.55548314     -0.07037506
+H      0.74512974     -1.31326858     -0.78534755
+H      0.93415869      0.38031689     -1.53656205
+H      2.65179159     -0.87984659      0.70734303
+H      2.87612163      1.68753519      1.01123716
+H      2.70054250      1.85904720     -0.76127059
+H      5.08194587      2.60592020      0.98967887
+H      4.97722034      2.84691711     -0.77470680
+H      6.88540293      0.64845094     -0.28784138 
+
+17
+-1678.573889342865 11.314043 12.54013 -8.6775 -6.5397 -9.125 0.9282 0.0422 1.194 8.68333 -0.64434 6.106496479 6.106496479 0.336669801
+C      0.72054591      2.28949553      0.25392506
+C      2.21548878      2.40440622      0.18865718
+C      3.01835711      1.33184412      0.09789206
+O      4.38643927      1.29714873      0.03278440
+C      5.06609116      2.56280025      0.02789593
+C      6.54755845      2.27012559     -0.11070424
+O      6.87337354      1.65687730     -1.35653695
+H      0.32108875      2.73311682      1.18012739
+H      0.39538152      1.23981043      0.21894542
+H      0.23791114      2.81747049     -0.58427547
+H      2.63939485      3.41038677      0.21711530
+H      2.62141023      0.31357801      0.07029611
+H      4.86199034      3.10443518      0.96997304
+H      4.70916705      3.16973493     -0.82299960
+H      6.87784994      1.64665818      0.74129234
+H      7.10486461      3.21770786     -0.07413644
+H      6.32358737      0.85479358     -1.42306153 
+
+15
+-1571.4843759548828 11.155395 12.08243 -9.0422 -6.9249 -9.312 1.3508 -0.4081 0.087 10.27924 0.58747 4.4035239718 6.2926738566 0.359631154
+C     -0.65827705      0.52805165      0.87555781
+C      0.45379899     -0.21103606      0.19957555
+C      1.64283711      0.33429801     -0.06968450
+O      2.62340740     -0.42303709     -0.70644546
+C      3.83995271      0.18871000     -0.94518809
+C      4.76311587     -0.77121123     -1.64613853
+O      4.09687156      1.33126542     -0.62712449
+H     -0.95266659      0.03163993      1.81393213
+H     -1.55769213      0.55965731      0.24021958
+H     -0.37348009      1.56212642      1.11300999
+H      0.28051609     -1.25233089     -0.08797565
+H      1.93939484      1.35695017      0.16654431
+H      4.90316884     -1.67333317     -1.03546877
+H      5.72601225     -0.28454435     -1.82407682
+H      4.31998022     -1.08921610     -2.59964706 
+
+15
+-1543.7918576001225 10.868018 11.984 -8.929 -6.7936 -9.414 0.8422 -1.2449 -0.076 10.17323 0.70067 3.6610834052 11.3512158664 0.197340502
+C      0.03453802      0.92430026     -0.27855699
+C      1.32349853      0.22944090      0.04952590
+C      2.46105077      0.46779814     -0.62269001
+O      3.69664406     -0.09423845     -0.42679176
+C      3.79640217     -1.05273009      0.61935059
+C      5.22864074     -1.54817684      0.66435759
+O      5.61542289     -2.37820257      1.46169362
+H     -0.75125968      0.20416202     -0.55694521
+H      0.15697686      1.62671781     -1.11503378
+H     -0.34718362      1.49284626      0.58437607
+H      1.30481876     -0.49141727      0.86995989
+H      2.51076224      1.18314144     -1.44717550
+H      3.12024443     -1.91146894      0.44705364
+H      3.53469116     -0.61046482      1.59933376
+H      5.90504267     -1.08589785     -0.09800781 
+
+17
+-1682.1040818841507 11.209849 12.25573 -8.846 -6.7415 -9.252 0.8915 -0.0448 1.215 8.67752 -0.65485 6.2355411078 6.2355411078 0.355550244
+C      1.72460935     -1.31344171     -0.38359260
+C      3.14876583     -0.85732005     -0.28141942
+C      4.22053496     -1.66603799     -0.36758682
+O      3.19514578      0.50395648     -0.09233908
+C      4.49048396      1.10807633      0.05771256
+C      4.26063266      2.58215400      0.32903136
+O      3.58090915      2.81490087      1.56136785
+H      1.17353893     -1.06665116      0.53629194
+H      1.67424953     -2.39572506     -0.54569182
+H      1.21648733     -0.80502978     -1.21652987
+H      4.06450605     -2.73168978     -0.51924338
+H      5.24618270     -1.31335613     -0.29307119
+H      5.08086579      0.96837149     -0.86594471
+H      5.02127012      0.63666479      0.90272811
+H      3.71244006      3.03004597     -0.52102231
+H      5.23422836      3.08752058      0.40915729
+H      2.75325945      2.30161115      1.52167210 
+
+15
+-1570.711784202265 10.578607 11.5194 -9.5722 -7.3474 -9.516 1.4892 -0.268 0.066 10.37209 0.58723 4.4198033336 6.4333483722 0.323952981
+C      0.47616260     -0.22695825      0.09870620
+C      1.92219912     -0.53238738      0.31669231
+C      2.46567397     -1.72535388      0.56527284
+O      2.77688093      0.59873266      0.36709512
+C      2.97258248      1.31343089     -0.79642515
+C      3.85935622      2.50132291     -0.52387077
+O      2.50174583      1.00508232     -1.87086871
+H      0.12336456      0.50232634      0.84387584
+H     -0.12237814     -1.14098887      0.19029629
+H      0.31707123      0.20412364     -0.89918060
+H      1.83796652     -2.61351664      0.61133200
+H      3.53728919     -1.83274485      0.72619888
+H      4.83335200      2.16145127     -0.14657847
+H      3.41354640      3.13746571      0.25229342
+H      3.99489709      3.07110412     -1.44742919 
+
+15
+-1547.3386382366818 10.774393 11.74943 -9.1036 -6.9918 -9.54 0.8353 -1.2508 -0.09 10.18771 0.70804 3.6579961538 6.247344575 0.260097118
+C      0.62441729     -0.04823557      0.18965126
+C      2.07588989     -0.39181856      0.05271054
+C      2.58839518     -1.63213007      0.14445531
+O      2.80821733      0.75075048     -0.18119415
+C      4.21439736      0.59950359     -0.33248015
+C      4.80930006      1.97324475     -0.57213258
+O      5.99899258      2.15984102     -0.72639726
+H      0.47407035      0.66199703      1.01610344
+H      0.02987079     -0.94792925      0.38180265
+H      0.25518076      0.43392506     -0.72762281
+H      1.91717252     -2.46698659      0.33254061
+H      3.64751491     -1.85540225      0.04044840
+H      4.46093577     -0.05608632     -1.18853332
+H      4.67349835      0.15839313      0.57179615
+H      4.06293687      2.80718356     -0.59589810 
+
+15
+-1550.9868919851258 10.931051 11.5104 -9.4707 -7.4127 -9.889 -0.3641 -2.0748 -0.894 9.65154 1.45603 3.36374018 5.021618979 0.432314884
+C      0.92799121      0.06845437      0.03656780
+C      2.41384936     -0.14320351     -0.00010394
+C      2.87918156     -1.54121574     -0.19472030
+O      2.10898476     -2.48798377     -0.30528295
+C      3.30510931      0.87157667      0.11313460
+C      4.81520324      0.76340530      0.12654792
+O      5.34260745     -0.10277853      1.14457770
+H      0.67717041      1.12791771      0.17106969
+H      0.47570966     -0.51524282      0.85184919
+H      0.46339240     -0.29722764     -0.89065154
+H      3.98063245     -1.69159212     -0.24454750
+H      2.90416111      1.88594555      0.22031910
+H      5.24332073      1.77669818      0.22031085
+H      5.18870090      0.34795805     -0.82218435
+H      4.98256545      0.19464830      1.99937374 
+
+13
+-1420.8806473148986 10.774018 10.83358 -9.5697 -7.5139 -10.558 -1.4417 -3.2087 -1.97 9.98612 2.2452 3.0425420484 4.7147908248 0.512152681
+C      1.09092180     -0.04387748      0.03747707
+C      2.58645006     -0.08832715      0.04748654
+C      3.19989499     -1.45290602      0.14103522
+O      2.50322895     -2.45695924      0.21474116
+C      3.34090078      1.04353600     -0.02754663
+C      4.81404228      1.18815320     -0.03096684
+O      5.65081953      0.29850330      0.05944120
+H      0.71424407      0.98290773     -0.03183406
+H      0.69156524     -0.52108798      0.94475607
+H      0.69859873     -0.63606915     -0.80258922
+H      4.30662254     -1.49857115      0.13878587
+H      2.81317519      2.00130261     -0.10016571
+H      5.14279583      2.25361535     -0.12860067 
+
+15
+-1567.7814991260034 10.165345 11.08435 -9.5355 -7.5365 -10.941 0.1433 -1.7398 -0.934 10.42851 1.31571 3.5627749058 11.4720774192 0.135396198
+C      0.60193920     -0.53264444     -0.15355109
+C      1.99305749      0.08582473     -0.03828696
+C      2.97500618     -0.56345855     -1.01046102
+O      4.17814432     -0.62618747     -0.84549665
+C      1.98459184      1.60616804     -0.35438024
+C      3.15980295      2.39052350      0.17264429
+O      1.07496901      2.10634070     -0.99396474
+H     -0.08409983     -0.08075381      0.57403321
+H      0.63774378     -1.61493875      0.03057487
+H      0.18194031     -0.35550084     -1.15230063
+H      2.42997016     -0.03478704      0.96585794
+H      2.49466843     -0.97519233     -1.93442804
+H      3.04620460      2.50982274      1.26166489
+H      3.19492771      3.38077396     -0.29434817
+H      4.09903386      1.84217956      0.01101234 
+
+19
+-1819.9649353217856 11.282224 12.61091 -9.797 -7.6432 -11.614 0.9001 -0.0391 3.005 10.88142 -2.74415 9.2348368394 10.766758261 0.084921844
+C      1.27035074     -0.52986094      1.75605327
+C      1.78292495     -0.89808219      0.37038497
+C      2.41808830     -2.28829406      0.33712974
+O      0.65257615     -0.80491331     -0.51959008
+C      0.98661465     -0.76956380     -1.90812849
+C     -0.25806900     -0.31254755     -2.65014317
+O     -0.68136029      0.98482440     -2.23458787
+H      0.83197080      0.47720478      1.75236600
+H      2.09006414     -0.54966819      2.48713188
+H      0.49895956     -1.24385642      2.07999286
+H      2.53460162     -0.14853675      0.04744352
+H      1.68046097     -3.05034558      0.62975109
+H      3.26417037     -2.33679224      1.03775253
+H      2.80116583     -2.53993783     -0.66149574
+H      1.29945036     -1.76473143     -2.27887676
+H      1.81308532     -0.05201601     -2.07926683
+H     -1.06259894     -1.05837040     -2.50394641
+H     -0.04184239     -0.24954282     -3.72684136
+H     -0.70880314      0.94673034     -1.25974914 
+
+19
+-1829.1826031775915 11.027004 12.23214 -9.8194 -7.5129 -11.801 0.7631 -0.251 2.527 11.39843 -2.21339 9.3443660718 9.3443660718 0.07454372
+C      0.98043836      0.01471382     -0.01623176
+C      2.50851442     -0.04883651      0.06261562
+C      2.95015711     -0.85293086      1.28579522
+O      3.01305967     -0.81014703     -1.08339902
+C      3.10414606      1.37787512      0.04263586
+C      4.63263720      1.46049044      0.05816301
+O      5.24491634      0.89641438     -1.10163672
+H      0.65576375      0.57452228     -0.90780690
+H      0.56067337      0.52251692      0.86415071
+H      0.55981403     -0.99931000     -0.06756437
+H      2.65352663     -0.34118109      2.21167674
+H      4.03911200     -0.99207770      1.29990601
+H      2.48224449     -1.84650251      1.26841633
+H      2.60115550     -0.43334051     -1.88259390
+H      2.71192906      1.93224687      0.91263318
+H      2.73233727      1.89888192     -0.85752237
+H      5.02823737      0.99126752      0.98083240
+H      4.93605092      2.51864178      0.08658945
+H      4.77650645      0.04868517     -1.25532947 
+
+17
+-1695.964091600475 10.626273 11.7644 -9.4704 -7.2713 -10.907 1.0972 -0.8809 -0.004 10.04312 0.62924 3.6752674036 8.1314730268 0.094059444
+C      0.94158607     -0.19819433     -0.17038375
+C      2.43034539     -0.27293316      0.18246137
+C      2.64145413     -0.98876557      1.51805861
+O      3.13302637     -1.07526047     -0.79545872
+C      3.03444031      1.15632425      0.22091081
+C      4.50538293      1.18906122      0.56399698
+O      5.00335935      1.95440480      1.37144099
+H      0.79162932      0.30134952     -1.14082550
+H      0.37972683      0.36864619      0.58580427
+H      0.52016801     -1.21133929     -0.23182526
+H      2.19493726     -0.41543525      2.34167967
+H      3.71269530     -1.11556948      1.72740306
+H      2.18028977     -1.98502753      1.48786807
+H      2.86785928     -0.76520118     -1.67977648
+H      2.49346526      1.80306333      0.92716566
+H      2.92766848      1.60064843     -0.78668611
+H      5.13526595      0.45183852      0.00740633 
+
+17
+-1716.3610164123427 10.642446 11.95191 -9.9566 -7.8957 -11.329 0.8934 -0.0292 0.192 10.24934 0.44433 4.4137280196 8.7151247232 0.119207659
+C      0.99407480     -2.19422996     -0.76595864
+C      1.49453799     -0.91169147     -0.11528433
+C      2.87496280     -0.48705604     -0.58954459
+O      0.58681675      0.19326750     -0.45810607
+C     -0.49795009      0.36181481      0.34937412
+C     -1.32051969      1.54193149     -0.10931227
+O     -0.75346363     -0.33839655      1.31324196
+H     -0.00561665     -2.45385614     -0.39486941
+H      1.67321463     -3.02507852     -0.52659899
+H      0.95506245     -2.08404828     -1.85962337
+H      1.47072786     -1.01774470      0.97947520
+H      2.88741033     -0.33862050     -1.67908878
+H      3.60954660     -1.26524464     -0.33954950
+H      3.18597026      0.44872859     -0.10620565
+H     -2.24372242      1.58881564      0.47553388
+H     -1.54948903      1.46036259     -1.17972042
+H     -0.74738296      2.46888617      0.03251686 
+
+17
+-1685.3111813338141 10.823911 12.16728 -9.8583 -7.5826 -10.99 1.0349 -1.0446 -0.008 10.12379 0.61926 3.6706179286 12.8562075288 0.103600338
+C      0.99766067     -1.03763555      0.72972671
+C      2.07531543     -0.82338657     -0.33325628
+C      2.63632343     -2.13618783     -0.86130703
+O      1.56626357     -0.11172607     -1.48135327
+C      1.29719267      1.25657848     -1.24898675
+C      1.01177977      1.92451616     -2.58163742
+O      0.67782547      3.08754199     -2.68943259
+H      0.60957985     -0.08808609      1.12345591
+H      1.41096787     -1.60067763      1.57870609
+H      0.15813600     -1.61070983      0.30922937
+H      2.90030352     -0.22119005      0.10146097
+H      1.83547441     -2.73851023     -1.31423608
+H      3.08643959     -2.71632714     -0.04429862
+H      3.40404375     -1.94984983     -1.62374094
+H      2.16422183      1.77409455     -0.78648845
+H      0.42673189      1.42595094     -0.58586992
+H      1.14224026      1.25391471     -3.46893170 
+
+19
+-1822.4501120741954 11.077562 12.46873 -10.0648 -7.7404 -11.937 0.9082 -0.1123 2.915 11.56305 -2.6269 9.8710338026 10.509735283 0.109194487
+C      1.18161122     -0.42435366      0.56452594
+C      2.41548592     -0.20796587     -0.32134951
+C      2.56752950     -1.33732190     -1.35122877
+O      1.51802910     -1.39059995     -2.33061481
+C      2.37838641      1.18861082     -0.96955335
+C      3.64970400      1.59698742     -1.69944340
+O      4.74024620      1.59002134     -0.76039971
+H      1.12928312      0.33368947      1.35932909
+H      1.20083139     -1.41376255      1.04721511
+H      0.24652677     -0.34316183     -0.01454504
+H      3.31353025     -0.25922775      0.31865763
+H      2.65182274     -2.30407306     -0.81928460
+H      3.49347588     -1.20737575     -1.93025200
+H      0.69837024     -1.63943529     -1.86962408
+H      2.17378512      1.93826096     -0.18723282
+H      1.54337679      1.23362282     -1.68833290
+H      3.51187540      2.60721120     -2.12749703
+H      3.85458848      0.90688807     -2.53907664
+H      5.54403146      1.86226552     -1.23265311 
+
+17
+-1680.8449708370506 11.370083 12.24043 -9.4994 -7.3673 -9.267 0.8904 -0.4981 1.047 8.69071 -0.38676 6.1476474324 6.1476474324 0.407805723
+C      1.04800150      0.07858394     -0.15433403
+C      2.53871811     -0.09833234     -0.03830240
+C      3.00857591     -1.53485900     -0.04641900
+O      2.60145502     -2.24813300      1.13820255
+C      3.36599368      0.96091084      0.09463108
+C      4.86072200      0.96038044      0.20152065
+O      5.47612451      1.65758856     -0.90033615
+H      0.75080586      1.13018531     -0.05024377
+H      0.52749415     -0.51439970      0.61285797
+H      0.69038759     -0.28884623     -1.13060153
+H      4.09884587     -1.60886280     -0.19047025
+H      2.52739455     -2.07672512     -0.87613155
+H      2.98032028     -1.77253531      1.89944123
+H      2.91998766      1.96273242      0.09279944
+H      5.27225587     -0.05923979      0.29687656
+H      5.17430935      1.52376831      1.09453960
+H      5.11240807      1.27058348     -1.71710039 
+
+15
+-1555.425794751145 11.051026 11.33666 -9.7174 -7.6311 -9.955 -0.6807 -2.2999 -0.929 9.58861 1.66174 3.5013274442 4.83483407 0.40811163
+C      1.08680937     -0.02862112     -0.11139294
+C      2.57802102      0.00975342      0.00853070
+C      3.26878935     -1.34532369     -0.00404802
+O      4.16837532     -1.57560428      1.06115578
+C      3.23245072      1.20200038      0.09828116
+C      4.67357685      1.42170379      0.13320156
+O      5.56307702      0.56684583      0.22231848
+H      0.63937141      0.96941612     -0.19524313
+H      0.65776093     -0.54024744      0.76594796
+H      0.78756900     -0.62721745     -0.98764364
+H      3.76222058     -1.45210501     -0.99490579
+H      2.50418154     -2.13505337      0.05446064
+H      4.90906874     -0.93822853      0.90640395
+H      2.63666792      2.12009873      0.08682434
+H      4.97041023      2.49451263      0.05475894 
+
+17
+-1701.3284975613221 10.523331 11.70795 -9.5412 -7.4581 -10.732 0.7852 -0.9625 0.044 9.78699 0.70381 3.7393433684 11.9344212132 0.155787703
+C      0.93333766     -0.40142658      0.12989333
+C      2.35280372      0.02575641     -0.28443594
+C      2.84114457     -0.77748992     -1.49914360
+O      4.19269865     -0.51042090     -1.85244558
+C      2.45371598      1.53251691     -0.53003686
+C      1.94620555      2.46056986      0.55399609
+O      2.93869134      1.98450349     -1.56425931
+H      0.60943731      0.07797458      1.06273547
+H      0.90101565     -1.48874199      0.28775956
+H      0.20119918     -0.15541782     -0.65384900
+H      3.03975319     -0.18061807      0.55916294
+H      2.15933550     -0.59010773     -2.35168027
+H      2.78683675     -1.85122412     -1.26253713
+H      4.19506086      0.42946388     -2.12455756
+H      0.84702088      2.50961507      0.50899086
+H      2.34721973      3.46734489      0.39312072
+H      2.21202347      2.09562205      1.55637628 
+
+17
+-1692.5799752827268 10.674345 11.74682 -9.6533 -7.4815 -10.969 1.0731 -0.8813 -0.015 10.05087 0.64173 3.7204850978 7.8951557108 0.094469144
+C      1.15484717     -0.33986878      0.29890092
+C      2.52428020      0.00855127     -0.29303013
+C      2.79906520     -0.83704498     -1.54604631
+O      4.12975054     -0.67604492     -2.04907836
+C      2.62559415      1.51619070     -0.60267405
+C      4.00829848      1.97137628     -1.00001185
+O      4.27525422      2.55900671     -2.03662004
+H      0.96862862      0.21863818      1.22698932
+H      1.08629223     -1.41231640      0.53305518
+H      0.34360143     -0.09725972     -0.40534925
+H      3.30704704     -0.24775157      0.44352769
+H      2.04681288     -0.61046094     -2.32449110
+H      2.69543464     -1.90365192     -1.29061777
+H      4.13993528      0.06937288     -2.67409109
+H      2.36977995      2.07559011      0.31621235
+H      1.91181905      1.81184866     -1.38820017
+H      4.80909894      1.75666444     -0.24622536 
+
+17
+-1700.8582241830827 10.546524 11.86719 -9.5372 -7.4766 -10.69 0.792 -0.9551 0.083 9.7541 0.66405 3.744501186 13.0400663682 0.145408035
+C      2.33929712     -1.11212408      0.98537509
+C      2.54421971     -0.13165057     -0.18074997
+C      3.03871663      1.21698520      0.32213007
+O      2.31563545      1.93395017      1.00979567
+C      4.46364112      1.61375233     -0.01897934
+C      4.85466149      2.99995384      0.49303800
+O      4.75384885      3.10852653      1.90998595
+H      1.93843217     -2.06716291      0.62042401
+H      1.63433202     -0.69452242      1.71614291
+H      3.28707217     -1.32004115      1.50311878
+H      1.58198027      0.04439250     -0.68715231
+H      3.24608475     -0.54840150     -0.91846093
+H      4.58875734      1.54630796     -1.11471314
+H      5.13050895      0.83897608      0.40250763
+H      4.22975773      3.76213929     -0.00946900
+H      5.90344529      3.20928215      0.23654309
+H      3.80321893      2.97911657      2.10044350 
+
+17
+-1704.1296228349818 10.557686 11.87812 -9.8385 -7.7452 -10.847 0.7935 -0.946 0.002 9.873 0.74918 3.7903636074 8.3101864472 0.106076613
+C      1.01102828      0.06069859     -0.19495864
+C      2.52040772      0.02830742     -0.41732890
+C      3.20606990      1.35527743     -0.16883592
+O      2.58594193      2.40653010     -0.04097201
+C      4.73489930      1.38985445     -0.05625793
+C      5.43852793      0.79021495     -1.27955333
+O      5.16524458      2.71867370      0.15719200
+H      0.56988941     -0.92291470     -0.40406052
+H      0.53431061      0.80314879     -0.84776951
+H      0.77102203      0.33445444      0.84164007
+H      2.75492102     -0.26155885     -1.45770384
+H      3.00900714     -0.73860947      0.20782499
+H      4.98561594      0.76843706      0.83176308
+H      5.13879238      1.32134715     -2.19421435
+H      5.21930374     -0.28060774     -1.39300553
+H      6.52265885      0.90818846     -1.15573254
+H      4.32931924      3.23727822      0.21663287 
+
+15
+-1571.1747531417773 10.082853 11.36225 -9.2135 -7.1705 -10.815 -0.5318 -2.468 -1.588 10.44714 1.9121 2.8363533304 11.5042021918 0.225914435
+C      1.98847032     -0.85233989      0.11241932
+C      3.39423386     -0.26880086      0.06760732
+C      3.42517851      1.23948499      0.04772886
+O      2.43029885      1.94954134      0.06268669
+C      4.83669569      1.90317995      0.00302039
+C      4.86131235      3.40720582      0.00225383
+O      5.83589260      1.20073971     -0.03009018
+H      2.02598066     -1.94931577      0.13044178
+H      1.40234495     -0.54063519     -0.76252467
+H      1.44623106     -0.51006357      1.00411712
+H      3.96481141     -0.61985650     -0.80964923
+H      4.01025106     -0.59756845      0.92254940
+H      4.30311080      3.79047853     -0.86430494
+H      5.89642675      3.76157471     -0.01859583
+H      4.33549114      3.79304520      0.88748012 
+
+15
+-1567.5040852811287 10.263362 11.35961 -9.5569 -7.5052 -10.988 0.4606 -1.4571 -0.681 10.36484 1.00156 3.6372656946 11.776624231 0.117306564
+C      1.10819721     -0.25571096      0.18123499
+C      2.59630475      0.06476316      0.12644718
+C      2.91023016      1.51087002     -0.20302943
+O      2.05310686      2.35866047     -0.39904492
+C      4.39669990      1.89099210     -0.23102623
+C      4.70499733      2.84348591      0.91384840
+O      5.59575808      2.66709082      1.72075025
+H      0.95017436     -1.31432996      0.42574155
+H      0.62566998     -0.04586254     -0.78245080
+H      0.60152811      0.35616063      0.93873757
+H      3.12084625     -0.56218823     -0.61685116
+H      3.10095983     -0.16339923      1.08343909
+H      4.56042514      2.44915516     -1.16701754
+H      5.07289471      1.02869966     -0.18164530
+H      4.03014732      3.73196298      0.96517634 
+
+19
+-1827.24967433256 11.123608 12.58038 -9.8541 -7.5458 -11.836 0.8205 -0.1827 2.638 11.46756 -2.36148 9.5172397516 9.5172397516 0.095834292
+C      1.04687437     -0.26528076     -0.34119036
+C      2.54777715     -0.16502069     -0.06577024
+C      3.08224048      1.26966402     -0.07149803
+O      2.40641697      2.08494456      0.92660558
+C      4.60416777      1.34463191      0.09114903
+C      5.16744113      2.76392468     -0.02275882
+O      4.76568656      3.62482380      1.04257286
+H      0.70395346     -1.30797367     -0.29164157
+H      0.80383696      0.12041777     -1.34292459
+H      0.46981963      0.32038075      0.38739838
+H      3.10920706     -0.74360666     -0.81816103
+H      2.78924465     -0.62550609      0.91042592
+H      2.80140662      1.75305559     -1.02440441
+H      2.53752763      1.64538271      1.78827927
+H      5.06967651      0.71748791     -0.68863763
+H      4.89458658      0.91244872      1.06577590
+H      4.87744771      3.19083503     -1.00544057
+H      6.26742847      2.73220787      0.00424488
+H      3.79802027      3.49563255      1.12751543 
+
+19
+-1829.2354412743102 11.108889 12.60325 -9.8478 -7.6719 -11.726 0.8241 -0.2027 2.733 11.25461 -2.44201 9.4282921952 9.4282921952 0.070484411
+C      0.98536399     -0.18198764     -0.07121942
+C      2.50977253     -0.14245419      0.03454353
+C      3.06568756      1.28523795      0.12554717
+O      2.54967635      1.98892384      1.26326782
+C      4.60605441      1.31345067      0.14176032
+C      5.17130859      2.71982188     -0.01259391
+O      4.98639728      0.72503229      1.40788582
+H      0.61514399     -1.21660244     -0.09483700
+H      0.63717779      0.31914102     -0.98801369
+H      0.52312711      0.32965632      0.78396235
+H      2.96283956     -0.63542086     -0.84310554
+H      2.84952448     -0.70680913      0.91848949
+H      2.72515962      1.85931707     -0.75446453
+H      3.05423730      1.63928592      2.02477088
+H      4.97338016      0.67143313     -0.68268975
+H      4.76091506      3.38586001      0.75870268
+H      4.91423948      3.13132466     -0.99981885
+H      6.26982140      2.71411843      0.06445142
+H      5.91338335      0.95851107      1.57950121 
+
+17
+-1703.8148736069952 10.472503 11.57737 -9.892 -7.7951 -10.882 0.7585 -1.0101 -0.015 9.91082 0.74114 3.7966001032 8.3838341312 0.116998337
+C      2.90086382     -0.73665748      1.74983667
+C      2.86155643     -0.27421099      0.29293381
+C      3.17452751      1.22566162      0.10765894
+O      2.21126996      2.02727558      0.75868554
+C      4.57625718      1.60847609      0.58866369
+C      5.76661422      0.88901889      0.00556775
+O      4.69186486      2.49693414      1.42736203
+H      2.60289197     -1.79095536      1.83132793
+H      2.21049475     -0.13892785      2.36007781
+H      3.90596215     -0.64097135      2.18919101
+H      1.85509661     -0.43677940     -0.12235626
+H      3.55359599     -0.86478241     -0.32932418
+H      3.16390532      1.43922746     -0.98384436
+H      2.74177909      2.62558897      1.33459817
+H      5.86856366     -0.09505889      0.48944545
+H      6.67807382      1.46660903      0.19472441
+H      5.64318266      0.71025196     -1.07166843 
+
+17
+-1693.4012160151294 10.735649 12.12886 -9.5113 -7.3032 -10.942 1.1069 -0.9073 -0.034 10.07414 0.65413 3.6604758738 8.1822452938 0.094315592
+C      0.98551669     -0.12953727     -0.07695006
+C      2.50719229     -0.02192485      0.02469430
+C      3.00421112      1.41586150      0.20975686
+O      2.46750491      2.03023739      1.39355361
+C      4.54324512      1.49813179      0.19299805
+C      5.05697973      2.92035163      0.19221682
+O      5.97366716      3.31518099     -0.50659389
+H      0.66930504     -1.17740972     -0.17210972
+H      0.61108149      0.41501480     -0.95698185
+H      0.49769751      0.29815505      0.80941954
+H      2.97697251     -0.43841937     -0.88167946
+H      2.87981656     -0.63239309      0.86849203
+H      2.60460062      2.03466136     -0.61264103
+H      2.70703767      1.46502695      2.15161449
+H      4.97081600      0.97081712     -0.67243682
+H      4.92841364      1.00397589      1.10565553
+H      4.52564194      3.61350982      0.89046160 
+
+17
+-1682.2087569093815 10.685242 11.8961 -9.482 -7.2935 -10.901 0.8135 -1.1437 -0.08 10.13134 0.7127 3.6996678484 8.1946934882 0.108527582
+C      2.53957291     -0.44104739     -1.78142084
+C      3.12367578     -0.41637569     -0.36932263
+C      3.74359564      0.93459566      0.02327492
+O      4.02036431      0.89113757      1.42281393
+C      4.35732475      2.17275939      1.95421617
+C      5.03568675      1.13897283     -0.76035200
+O      5.13480529      1.75733936     -1.80260203
+H      2.11797654     -1.43104552     -2.00227039
+H      3.29823340     -0.22107553     -2.54527272
+H      1.73403057      0.29943723     -1.89264478
+H      3.88609077     -1.20378094     -0.24701380
+H      2.34347988     -0.62265152      0.37986087
+H      3.04375844      1.75881200     -0.21828189
+H      4.52587336      2.03336511      3.02891581
+H      3.53424401      2.89511355      1.80481572
+H      5.27482014      2.58774955      1.49950449
+H      5.91662747      0.61969434     -0.29407082 
+
+17
+-1713.4247073981185 10.661552 12.06029 -10.0448 -7.9688 -11.401 1.0903 0.0389 0.162 10.29913 0.46264 4.421774711 12.1768882348 0.207110916
+C      0.37479485     -0.62329129     -0.04430082
+C      1.89315368     -0.60306587      0.14614030
+C      2.46899823      0.78126619     -0.12204472
+O      3.92109214      0.78851206     -0.01585346
+C      4.42971389      1.05425895      1.22315548
+C      5.93807770      1.04754215      1.18529061
+O      3.74965985      1.27822383      2.20793282
+H     -0.03157301     -1.62587472      0.14592772
+H      0.09317808     -0.33929692     -1.06982027
+H     -0.12352604      0.07408476      0.64554674
+H      2.37253380     -1.32742737     -0.53139934
+H      2.14830461     -0.89921771      1.17505413
+H      2.05859522      1.52082425      0.58025376
+H      2.26794702      1.10218416     -1.15413158
+H      6.30768327      0.13044134      0.70906676
+H      6.32755664      1.13289758      2.20378825
+H      6.29440007      1.89502860      0.58326363 
+
+17
+-1683.3023288385307 10.92222 12.53698 -9.9172 -7.6241 -11.006 1.0297 -1.0719 -0.03 10.14686 0.63667 3.6673446982 11.3739053044 0.126716503
+C      0.81750125     -0.36695643      0.11924555
+C      2.32735330     -0.12370966      0.08762074
+C      2.66637987      1.35623083      0.00765607
+O      4.08691014      1.51100049     -0.00333279
+C      4.48167317      2.86661824     -0.07455750
+C      5.99704833      2.93199098     -0.06929249
+O      6.62318987      3.97209818     -0.11089544
+H      0.59465095     -1.44080232      0.17974505
+H      0.32682326      0.02320806     -0.78537465
+H      0.34945456      0.11870754      0.98894843
+H      2.77947155     -0.63607396     -0.77618090
+H      2.80103637     -0.54377327      0.98890720
+H      2.23743895      1.90001924      0.87447321
+H      2.23317519      1.80577117     -0.90968216
+H      4.10087439      3.45797763      0.78367175
+H      4.11151151      3.36085573     -0.99687644
+H      6.49857735      1.93163756     -0.02206564 
+
+19
+-1812.3820859892564 11.314693 12.78268 -9.9914 -7.8329 -11.829 0.9797 0.068 3.203 11.15514 -2.99388 9.5706281232 11.2773202104 0.104404802
+C     -0.75439885      5.05411795     -0.11836327
+C     -0.16341655      4.11668457      0.93624316
+C      0.46345845      2.88062406      0.31122341
+O      1.00003626      2.05210184      1.35656922
+C      1.56778592      0.85290240      0.87563264
+O      2.76385058      1.02356489      0.14039616
+C      3.85290049      1.47144952      0.95212431
+H     -1.20096461      5.94248005      0.34870142
+H     -1.54180245      4.55547817     -0.70378779
+H      0.01578289      5.40072161     -0.82418040
+H     -0.94288245      3.79977792      1.64735617
+H      0.60543379      4.64229934      1.52477293
+H     -0.29472533      2.30500794     -0.25743140
+H      1.26416020      3.16473201     -0.39482831
+H      0.87899109      0.33958696      0.18063674
+H      1.74615328      0.23796906      1.77665249
+H      4.73114883      1.52695292      0.29746288
+H      4.05459788      0.75677902      1.77090789
+H      3.65557059      2.46427980      1.38718174 
+
+17
+-1687.304446301674 10.610809 11.88729 -9.146 -7.0676 -10.662 1.0661 -0.722 0.152 9.75715 0.57801 3.7504897098 12.2235193694 0.180222462
+C      0.97349523     -0.18620873      0.23112761
+C      2.38264598      0.20322138     -0.19907134
+C      2.86205466      1.51600082      0.38875721
+O      2.18364749      2.20040861      1.14110996
+C      4.30448017      1.94755036      0.07522555
+O      4.87086575      1.40858778     -1.11082731
+C      4.49192007      2.14339149     -2.27219493
+H      0.68817328     -1.15105633     -0.20900926
+H      0.24089071      0.56873262     -0.08492976
+H      0.90271612     -0.26736477      1.32406658
+H      2.47084551      0.27077565     -1.29678422
+H      3.12613657     -0.56580982      0.07694194
+H      4.92523555      1.58385478      0.91230065
+H      4.34298966      3.05173953      0.09068887
+H      4.97912699      1.65995539     -3.12806279
+H      4.83051586      3.19351583     -2.20625014
+H      3.39763038      2.13948541     -2.43311863 
+
+19
+-1818.1970857457243 11.361001 12.96585 -9.9946 -7.7279 -11.796 0.9288 0.0005 2.915 11.28034 -2.64315 9.430065195 11.6571141256 0.103906025
+C      1.73115411     -1.76763864     -0.76805231
+C      2.82814615     -0.93041813     -0.10807243
+C      2.80709451      0.53168902     -0.54319233
+O      1.55906831      1.10755183     -0.13498657
+C      3.96520411      1.32171422      0.05324735
+O      3.82406314      2.67731492     -0.37531403
+C      4.77833842      3.53856325      0.23001866
+H      1.76464174     -2.80841801     -0.41666774
+H      1.84632979     -1.77827005     -1.86274256
+H      0.73855727     -1.35854960     -0.53780107
+H      3.81913293     -1.34994074     -0.34934101
+H      2.72001554     -0.96560262      0.98904065
+H      2.89446207      0.58386176     -1.64887743
+H      1.65836409      2.06896946     -0.26686253
+H      4.93544619      0.90807649     -0.28727176
+H      3.92662756      1.26851358      1.16005232
+H      4.58491236      4.55117018     -0.14556142
+H      5.81112918      3.24605917     -0.03647612
+H      4.68449253      3.53501391      1.33201033 
+
+19
+-1812.109179729268 11.13545 12.51752 -9.8139 -7.6676 -11.757 0.9881 0.0958 3.035 11.04654 -2.72544 9.398820723 10.5089665698 0.092398248
+C      1.47124247     -1.10280958     -0.53716050
+C      1.16072856      0.08945893      0.36955394
+C      2.32599460      0.44462340      1.29105772
+O      2.20844229      1.71832173      1.92332310
+C      1.03585592      1.88828642      2.72739603
+O      2.46491084     -0.61358569      2.22683736
+C      3.68365978     -0.54912388      2.97054483
+H      0.62324227     -1.32263906     -1.20057423
+H      1.68271192     -2.00193920      0.05705249
+H      2.34747845     -0.90217005     -1.17276191
+H      0.27341417     -0.12901301      0.98367285
+H      0.93406691      0.98259105     -0.23328326
+H      3.26202475      0.54794555      0.70632925
+H      1.19535161      2.80531687      3.30844677
+H      0.89123081      1.04213668      3.41818206
+H      0.12903686      2.01333879      2.11140972
+H      3.69728677     -1.42661988      3.62865341
+H      3.74151504      0.36829055      3.57773811
+H      4.55968599     -0.58597961      2.29765226 
+
+17
+-1678.8080783073203 11.026438 11.93897 -8.9948 -6.8684 -9.515 0.9535 0.018 1.118 9.05036 -0.62576 6.3677101838 6.3677101838 0.341049848
+C      0.95906119     -0.42508013      0.21002437
+C      2.33461728     -0.32156630     -0.43715035
+C      2.53099033     -1.33828802     -1.55781826
+O      3.83066729     -1.27804806     -2.13417364
+O      2.51578953      0.97355333     -1.07525274
+C      2.88219066      2.03211988     -0.29364087
+C      3.11073255      2.07405606      1.02759151
+H      0.80292330      0.37681983      0.94226377
+H      0.85589833     -1.38848904      0.72964313
+H      0.16987204     -0.35393513     -0.55198325
+H      3.14198724     -0.45491281      0.30336265
+H      1.74329637     -1.18455603     -2.32086884
+H      2.41492300     -2.35271995     -1.14899213
+H      3.96085787     -0.35280399     -2.41381586
+H      2.98085218      2.92301374     -0.91866503
+H      3.01575100      1.21791977      1.69230457
+H      3.41465984      3.02230684      1.46577097 
+
+15
+-1569.012344770195 10.950187 11.90277 -9.4755 -7.3162 -9.807 1.2023 -0.5544 0.034 10.33748 0.6583 4.4063260554 6.6483648934 0.420382434
+C      2.36503127     -1.44555005      1.30882044
+C      2.53588922     -1.08289802     -0.16206589
+C      2.63192364      0.40587495     -0.39996105
+O      2.59106481      1.27762959      0.44118316
+O      2.77894864      0.65199237     -1.75818146
+C      2.88407345      1.97802458     -2.15628853
+C      3.01605045      2.27885097     -3.44836953
+H      2.29492961     -2.53492159      1.42647743
+H      1.45523681     -0.99316383      1.72463252
+H      3.21349104     -1.08672612      1.90590774
+H      1.70101530     -1.46063434     -0.77441567
+H      3.44034285     -1.54316968     -0.59229478
+H      2.84785452      2.69891373     -1.33936195
+H      3.04453918      1.50922748     -4.21913691
+H      3.09790923      3.32212995     -3.74550553 
+
+19
+-1865.6114180610705 11.917489 13.59269 -9.1177 -7.0017 -10.771 0.9779 0.1034 3.205 10.36563 -2.91365 8.681065769 11.3255507644 0.189904247
+C      2.16651580      4.52739463     -0.81517834
+C      3.32514228      3.89147787     -0.07056151
+O      3.86012586      2.83297609     -0.87764672
+C      4.94135368      2.18762844     -0.25460008
+C      5.92806561      1.51374201     -1.15859298
+C      6.33799170      2.75544153     -0.38063236
+C      7.32602458      2.66283386      0.75891426
+H      1.73469887      5.34279841     -0.21807713
+H      1.37871071      3.78786105     -1.01439003
+H      2.50263629      4.94157197     -1.77590223
+H      2.98817286      3.48166392      0.90248158
+H      4.11676812      4.63610546      0.14037020
+H      4.68659802      1.69036195      0.69249097
+H      5.75709126      1.62447893     -2.22958156
+H      6.33127029      0.54808347     -0.84863286
+H      6.39463440      3.66362476     -0.98754457
+H      7.16306974      1.74851709      1.34954939
+H      7.23592748      3.52104217      1.44251039
+H      8.36285246      2.63348639      0.38967358 
+
+19
+-1875.3120050817513 11.793444 13.44505 -9.8165 -7.6325 -11.102 0.9252 0.0052 2.886 10.74006 -2.53858 9.0200558916 11.0917007698 0.202363245
+C      3.06890352     -1.19332570     -0.46721757
+C      2.45807208      0.06874113      0.14183900
+O      1.93080953     -0.19252723      1.46022351
+C      3.42841025      1.23189419      0.13856834
+C      3.48565893      2.16977841     -1.05180494
+C      2.92851293      2.64886215      0.26941222
+C      3.68674517      3.65901556      1.10011439
+H      3.38827833     -1.01380143     -1.50417895
+H      2.34133041     -2.01584587     -0.45770687
+H      3.95584850     -1.50992928      0.10550593
+H      1.56683519      0.35680300     -0.44186726
+H      2.68374112     -0.42916084      2.03193773
+H      4.39108404      1.01721780      0.61902669
+H      2.79036932      1.98922965     -1.87411292
+H      4.46270217      2.54524506     -1.36123369
+H      1.83945864      2.74319545      0.31335884
+H      4.77277399      3.49949986      1.01909065
+H      3.41496274      3.58402722      2.16396569
+H      3.47726314      4.68803088      0.77005921 
+
+17
+-1670.1924595623166 10.768172 12.27334 -9.3217 -7.1552 -10.921 1.004 0.033 3.218 10.51708 -2.92754 8.66786126 11.041015293 0.139579102
+C      1.32809165      3.18548498      0.44347420
+C      2.74715674      2.78922022      0.80106252
+O      3.34341508      2.15040715     -0.34049392
+C      4.65672686      1.73580935     -0.08280654
+C      5.57103015      1.58564032     -1.26785435
+C      5.79457143      2.70133301     -0.26150748
+O      6.85255384      2.62071658      0.66798364
+H      0.84468222      3.67182314      1.30217497
+H      0.73587747      2.30296316      0.16562982
+H      1.32046298      3.88768560     -0.40186047
+H      2.75643317      2.09022463      1.66005423
+H      3.34810697      3.67291913      1.08711055
+H      4.77242121      1.00813795      0.73165429
+H      5.17585183      1.86509472     -2.24504975
+H      6.25898972      0.73988965     -1.25297113
+H      5.52088892      3.71158872     -0.58738458
+H      7.68460974      2.76612169      0.18311400 
+
+15
+-1556.9844821667755 10.201022 11.42655 -9.2976 -7.3066 -10.62 1.0938 -0.6247 0.188 9.58823 0.53105 3.7904751948 8.6917781594 0.169113456
+C      0.94962076     -0.10693133     -0.05850524
+C      2.01357204      0.64510156     -0.82925101
+O      2.04280544      0.66160915     -2.05666930
+C      3.02666023      1.37978925     -0.01498450
+C      4.41391741      1.61175287     -0.61825351
+C      3.45955533      2.75055131     -0.51107210
+O      3.62281139      3.72490455      0.49163221
+H      0.41861268      0.57664691      0.62109771
+H      1.41895491     -0.87845162      0.57112443
+H      0.24056090     -0.57455467     -0.74997182
+H      2.97689302      1.28533372      1.07051536
+H      4.57334682      1.17940705     -1.60720876
+H      5.24796378      1.58035439      0.08277719
+H      2.96635174      3.08385882     -1.43081224
+H      4.36125354      4.30057804      0.22419156 
+
+17
+-1679.8350288830513 10.628721 12.08536 -9.7277 -7.5107 -11.25 0.9474 0.0118 2.803 10.9633 -2.46264 9.0028590334 10.5422072164 0.135231283
+C      3.01673135     -1.24150795     -0.41936815
+C      2.41626738      0.05326504      0.12913562
+O      1.80335348     -0.15580683      1.41614010
+C      3.43327283      1.17551525      0.16042265
+C      3.60390101      2.10897743     -1.03082882
+C      2.99892111      2.60237012      0.26265510
+O      3.76418315      3.42205502      1.12175199
+H      3.40569962     -1.09333894     -1.43750545
+H      2.25819265     -2.03503538     -0.44175851
+H      3.85242551     -1.57964177      0.21409789
+H      1.57360642      0.35814175     -0.51523333
+H      2.51869879     -0.29510173      2.06313826
+H      4.36069518      0.94930531      0.69819238
+H      2.94596579      1.97486565     -1.89207279
+H      4.61772884      2.43599847     -1.26330127
+H      1.91939713      2.79029745      0.28374707
+H      3.75390974      4.32376112      0.75485728 
+
+19
+-1868.7090398027367 11.829242 13.37453 -9.3019 -7.1915 -11.183 0.9833 0.0899 3.08 10.56194 -2.84511 9.0529741746 11.3297662884 0.132810227
+C      1.20392869      1.13317157      1.47147717
+C      2.69791840      0.87482953      1.41948718
+O      3.26561617      1.67913149      0.38224061
+C      4.66497716      1.51031609      0.26624517
+C      5.32278047      2.35338159     -0.84182694
+C      6.52813235      2.57669950      0.11331932
+C      5.60845271      2.18798827      1.30406778
+H      0.74012660      0.52390867      2.25971557
+H      0.73226046      0.87958179      0.51215349
+H      1.00151300      2.19149406      1.68651556
+H      2.90564362     -0.19530302      1.21523551
+H      3.16842623      1.12246020      2.39100279
+H      4.91179959      0.43431929      0.15783721
+H      4.74811019      3.27967986     -0.98491393
+H      5.49809193      1.87934270     -1.81647030
+H      7.32226582      1.83445061     -0.04881454
+H      6.98036494      3.57643343      0.13047487
+H      6.03146268      1.57594428      2.11215626
+H      5.11439900      3.07290009      1.73207719 
+
+17
+-1726.4729567259892 12.000538 13.0673 -8.5004 -6.4839 -9.337 0.9701 0.0212 1.31 8.86355 -0.80266 6.3807783082 6.3807783082 0.44257955
+C      1.35996450      2.89983476      0.04404296
+C      2.56542166      2.41853302     -0.28258323
+O      3.21971793      1.48801816      0.47806124
+C      4.58243701      1.24967918      0.11888645
+C      5.68789965      2.14993571      0.72742678
+C      6.53895051      0.86133477      0.90324814
+C      5.22581591      0.03373185      0.80593822
+H      0.87285650      3.61111932     -0.61873658
+H      0.84724813      2.58867701      0.95404901
+H      3.09114754      2.73009187     -1.19339035
+H      4.66913265      1.19044769     -0.98130046
+H      5.35290664      2.54239650      1.69820383
+H      6.08730109      2.97135727      0.11776748
+H      7.19689674      0.68545270      0.04078158
+H      7.12899816      0.76642539      1.82299129
+H      5.23356779     -0.92159739      0.26558593
+H      4.77383760     -0.11036781      1.79747771 
+
+17
+-1749.2127850321829 11.123893 12.37385 -9.1171 -7.1233 -10.49 1.1899 -0.5425 0.309 9.52084 0.44718 3.7592059256 7.8936430816 0.117300178
+C      0.91015807      0.03561840     -0.41324180
+C      2.06812149      0.26088737      0.54072820
+O      2.20689749     -0.40754273      1.55695595
+C      3.01992320      1.38255742      0.17760653
+C      2.55226618      2.82947520      0.57473677
+C      4.01324995      3.13001673      1.00146966
+C      4.28595795      1.60293485      1.03836189
+H      1.29281791     -0.41190573     -1.34409336
+H      0.43567676      0.98819362     -0.69139889
+H      0.17315569     -0.64073507      0.03395185
+H      3.24380550      1.34871143     -0.90119737
+H      1.87351740      2.79914769      1.43976943
+H      2.10323041      3.44847096     -0.21338977
+H      4.57186188      3.62631094      0.19493480
+H      4.15835307      3.69631172      1.93115752
+H      5.23928934      1.24114493      0.63179890
+H      4.13467771      1.17125227      2.03754969 
+
+19
+-1875.2465873088415 11.642188 13.03983 -9.8023 -7.6212 -11.514 0.9086 -0.0379 2.79 11.22364 -2.47751 9.4339335582 9.4339335582 0.115446991
+C      2.31347668     -0.48973455     -1.44517762
+C      2.50921167      0.02321854     -0.01936141
+O      3.13366564     -0.97033328      0.81797170
+C      3.26903171      1.34306928      0.02767612
+C      2.59411926      2.62325389     -0.54787140
+C      3.19737733      3.42471242      0.63681389
+C      3.40690046      2.08216514      1.38774573
+H      1.75202907      0.23379290     -2.05469766
+H      1.76319406     -1.44020651     -1.43790780
+H      3.28668781     -0.65630628     -1.93581611
+H      1.52045972      0.17560485      0.44933022
+H      4.01564283     -1.15100870      0.44408034
+H      4.26467378      1.20481650     -0.43448904
+H      1.49698580      2.55646133     -0.47087470
+H      2.85645692      2.93111344     -1.56948815
+H      4.15565050      3.88903832      0.36176547
+H      2.56419817      4.18572371      1.11301276
+H      4.33703212      1.94590689      1.95480071
+H      2.55840650      1.84411209      2.04731696 
+
+19
+-1874.5244044402048 11.596618 12.96193 -9.8384 -7.681 -11.156 0.8816 -0.0664 2.709 10.76411 -2.34612 8.7730757796 11.1569793988 0.148931457
+C      2.39030069     -1.40148432     -0.53259423
+C      1.84207660     -0.06788111     -0.02342136
+O      0.92682552     -0.26903119      1.07225171
+C      2.93306915      0.94870705      0.31540310
+C      3.92747622      0.54725987      1.38899426
+C      3.42847944      1.80497643     -0.83110297
+C      2.53676788      2.40416864      0.23506321
+H      3.04788290     -1.25131271     -1.40135084
+H      1.56323721     -2.06128204     -0.82646492
+H      2.97565491     -1.91613083      0.24549393
+H      1.21040515      0.37663199     -0.81123518
+H      1.40162648     -0.76537274      1.76261891
+H      4.64120360      1.36155851      1.57782819
+H      4.51051235     -0.34139780      1.10295817
+H      3.42259848      0.33700279      2.34603609
+H      2.99918446      1.64004482     -1.82150131
+H      4.48303951      2.08555696     -0.84012790
+H      2.98688687      3.09483075      0.94977981
+H      1.50349257      2.63570494     -0.02761866 
+
+19
+-1866.4095880371947 11.787701 13.26481 -9.2534 -7.1971 -10.877 0.9591 0.067 3.051 10.47511 -2.69309 8.6275286142 11.5520607878 0.154769579
+C      2.99596157      3.61105450      2.38714746
+C      4.29889424      3.07599913      1.82182325
+O      3.99784691      1.91654034      1.03215897
+C      5.11016667      1.39310699      0.32644631
+C      6.15628913      0.70969337      1.18065411
+C      4.74453404      0.81379223     -1.00888945
+C      5.51656618      2.12235634     -0.93687263
+H      3.18846832      4.49086319      3.01694493
+H      2.49841892      2.84747154      3.00131691
+H      2.31045479      3.90310251      1.57918724
+H      4.99282570      2.81424050      2.64268972
+H      4.79876983      3.83686851      1.19190029
+H      6.92499535      0.24421396      0.54906501
+H      5.69059264     -0.07674210      1.79317073
+H      6.66444601      1.41762022      1.85226065
+H      3.69355127      0.87562283     -1.29076384
+H      5.26589682     -0.08493630     -1.34054279
+H      6.56947485      2.12622696     -1.22286425
+H      4.96550676      3.03007527     -1.18455262 
+
+15
+-1549.0324126447313 9.873126 11.05011 -9.1962 -7.0945 -10.607 0.9809 -0.7987 0.186 9.70513 0.5466 3.7701290922 11.5410384324 0.131733539
+C      1.21451204      0.06229859      1.15492601
+C      2.03245787      0.36215401     -0.07437823
+O      1.79430332     -0.10544116     -1.17974687
+C      3.22597431      1.29893994      0.08368655
+C      3.16727084      2.64309888     -0.67899755
+C      3.43997688      3.27352556      0.69891897
+O      3.32473123      1.97981819      1.36862821
+H      1.86427924     -0.30989388      1.96121053
+H      0.43450097     -0.66757289      0.91506292
+H      0.76918531      0.99148528      1.54080775
+H      4.13722317      0.70846239     -0.12948751
+H      2.18005493      2.86444250     -1.10244560
+H      3.93359868      2.78853884     -1.44770477
+H      4.45096092      3.69530547      0.82264592
+H      2.69405028      3.99083828      1.07467368 
+
+17
+-1679.415578488846 10.390743 11.69122 -9.5211 -7.3165 -11.326 0.8867 -0.0159 2.719 10.8572 -2.42599 9.0716092704 10.4366207388 0.143706438
+C      2.25699309     -0.56990763     -1.48480965
+C      2.59563646      0.08849687     -0.15734891
+O      3.34589413     -0.84687183      0.62509820
+C      3.41207804      1.36427517     -0.33076044
+C      2.65369190      2.66704322     -0.65962896
+C      3.13095797      3.14780201      0.72229834
+O      3.82296850      1.88697790      0.97945490
+H      1.66622199      0.10485336     -2.12047028
+H      1.67120997     -1.48247079     -1.31339353
+H      3.17710685     -0.84694937     -2.01928044
+H      1.65868968      0.35571928      0.37601515
+H      3.65318083     -0.35097867      1.40849919
+H      4.30126585      1.15747802     -0.95314606
+H      1.56678429      2.54692802     -0.76228281
+H      3.04069517      3.23245956     -1.51507811
+H      3.83823967      3.99250382      0.71463324
+H      2.34364560      3.33821106      1.46874017 
+
+17
+-1679.9848471171063 10.359897 11.70447 -9.8677 -7.7179 -11.673 0.8869 -0.0257 2.388 11.03443 -2.06598 9.040811148 11.0396142512 0.15475533
+C      2.74168474     -1.62734771     -0.61654242
+C      2.04524704     -0.32509244     -0.25013256
+O      1.15195537     -0.60951917      0.83867683
+C      3.00462140      0.79720290      0.14023589
+C      3.99275928      0.52672735      1.25010280
+C      3.25362710      1.87478312     -0.83475540
+O      2.31149231      2.08010853      0.23763565
+H      3.45511751     -1.46992105     -1.43745158
+H      1.99837380     -2.36884497     -0.93707802
+H      3.28125630     -2.03788775      0.24796954
+H      1.46245796      0.03600228     -1.11982206
+H      0.69862872      0.22770976      1.04859701
+H      4.48774506      1.45908313      1.54914351
+H      4.76223957     -0.18884942      0.92621323
+H      3.47722700      0.10402738      2.12366429
+H      2.81438288      1.81784211     -1.83738708
+H      4.17743392      2.45898595     -0.75774962 
+
+17
+-1666.391563040031 10.577819 11.96405 -9.5775 -7.305 -11.392 0.9167 -0.0235 2.884 10.87723 -2.62166 9.010992515 11.8797061914 0.121938551
+C      1.05636667      0.51127841     -1.05284588
+C      2.56675148      0.58482969     -1.16737567
+O      3.07824681      1.28670971     -0.02738662
+C      4.48632076      1.36765538     -0.02725236
+C      5.16901829      2.46341601     -0.88330480
+O      5.86787702      2.97523733      0.28908861
+C      5.05707492      2.13999178      1.16889754
+H      0.63729393     -0.02322646     -1.91660822
+H      0.61976441      1.51889013     -1.02329799
+H      0.76217038     -0.02103739     -0.13800246
+H      2.86153711      1.10931387     -2.09746578
+H      3.01039570     -0.43037000     -1.20504011
+H      4.93545122      0.36672731     -0.16866295
+H      4.44946809      3.19799617     -1.28719724
+H      5.87228042      2.14607136     -1.66876608
+H      5.67318062      1.58420104      1.89146209
+H      4.28203217      2.72266565      1.69555793 
+
+15
+-1523.5085306614444 10.71025 11.63123 -8.9543 -6.8134 -9.565 0.9943 -0.0268 1.112 9.11438 -0.61867 6.413237843 6.413237843 0.439150646
+C      3.62875833      4.20639638      2.31244883
+C      3.79552465      3.33812671      1.30951410
+O      4.40045115      2.11913395      1.48611512
+C      4.75715294      1.43163518      0.29333693
+C      6.18802597      1.62545255     -0.25416787
+O      6.40199635      0.18316362     -0.25650013
+C      5.18643891     -0.02200589      0.52373267
+H      3.10294728      5.13985185      2.12761152
+H      3.99582205      3.99709414      3.31637173
+H      3.43683788      3.53747003      0.29321182
+H      3.97001809      1.55293587     -0.46873063
+H      6.84856105      2.14251588      0.46310299
+H      6.30098891      2.05841436     -1.25958027
+H      4.55352415     -0.81634877      0.10196940
+H      5.40458228     -0.22976585      1.58502377 
+
+15
+-1547.168500997018 9.846715 10.96096 -9.6952 -7.4765 -10.774 0.9279 -0.8698 0.058 9.79393 0.66234 3.7536265556 7.9925343152 0.133571255
+C      0.84278996      0.02520282     -0.14353586
+C      2.07517983      0.28233605      0.70037896
+O      2.26399227     -0.28572685      1.76618737
+C      3.05464983      1.30160550      0.14103239
+C      2.64786506      2.79193764      0.33334088
+O      3.84975195      3.06654275      1.09305872
+C      4.27091337      1.66876179      1.00459110
+H      0.38600471      0.96851259     -0.47903028
+H      0.11494680     -0.56767238      0.42076751
+H      1.13384529     -0.52674962     -1.05113773
+H      3.28432788      1.05769088     -0.90651581
+H      1.73580753      2.95328842      0.93467555
+H      2.59220275      3.39354306     -0.58845804
+H      5.25450761      1.57361686      0.51953741
+H      4.27774516      1.17677047      1.98910781 
+
+17
+-1674.5370295198697 10.365356 11.60708 -9.5484 -7.2658 -11.449 0.8101 -0.184 2.605 10.90969 -2.30468 9.206456444 13.944767413 0.079069792
+C      2.33049550     -0.52815724     -1.42512766
+C      2.49517733      0.02995032     -0.01411963
+O      3.09932727     -0.93219955      0.87002168
+C      3.26963641      1.34587881      0.00656926
+C      2.51933991      2.59705549     -0.50375814
+O      2.52624814      3.20471875      0.81741086
+C      3.29645589      2.08794186      1.35818560
+H      1.80262879      0.18291233     -2.07776029
+H      1.75914612     -1.46555607     -1.40223411
+H      3.31396774     -0.73138734     -1.87992761
+H      1.49895240      0.20683405      0.42776959
+H      3.94720247     -1.20380732      0.47291619
+H      4.26235697      1.20079750     -0.44978273
+H      1.49102820      2.42153554     -0.86693469
+H      3.06293862      3.21273133     -1.24019040
+H      4.29064433      2.41551161      1.70346129
+H      2.76955390      1.58085993      2.18251079 
+
+17
+-1679.2367020616437 10.608487 12.23366 -9.7696 -7.6507 -11.7 0.9101 -0.0789 2.557 11.04111 -2.25676 9.1087430774 10.901717022 0.222411235
+C      3.06743576     -1.21912810     -0.30425853
+C      2.39634953      0.02088709      0.27458310
+O      1.70151456     -0.25836045      1.50383056
+C      3.38917141      1.15090426      0.48236899
+O      3.82946673      1.84419844     -0.70701740
+C      3.03090319      2.56185275      0.27132250
+C      3.70592735      3.69222072      0.99864024
+H      3.55217292     -0.98068296     -1.26131746
+H      2.32929028     -2.01544291     -0.46896303
+H      3.84458816     -1.59836487      0.38013142
+H      1.61750746      0.37628759     -0.41949038
+H      2.29876038     -0.78274376      2.06734948
+H      4.19698925      0.93159779      1.19833819
+H      2.00670998      2.76080994     -0.07184576
+H      4.71650259      3.40482325      1.31850804
+H      3.12135164      3.97571468      1.88645304
+H      3.78727882      4.57674652      0.35045701 
+
+17
+-1683.0158309142248 10.500934 11.8226 -9.4867 -7.2978 -10.936 0.8465 -0.1744 2.693 10.58898 -2.33774 8.4857630218 11.7064977494 0.141298654
+C      3.08328178     -1.15954511     -0.35747781
+C      2.40862650      0.08220071      0.21561974
+O      2.05198272     -0.10077512      1.60647389
+C      3.31054278      1.30318455      0.19241423
+O      4.48820932      1.15504507      0.96037798
+C      3.46244568      2.09636885     -1.06773049
+C      2.69144949      2.67963757      0.10623303
+H      3.32231316     -1.01054365     -1.42012455
+H      2.42056073     -2.03552457     -0.28507676
+H      4.01726137     -1.36987843      0.18051366
+H      1.49712565      0.31504564     -0.36868643
+H      1.72275818     -1.00917929      1.71241824
+H      4.17989635      0.92792992      1.85933710
+H      2.90805176      1.78189475     -1.95332502
+H      4.45691905      2.49841562     -1.26124500
+H      3.18193527      3.46757378      0.67716097
+H      1.60606021      2.75899971      0.03142722 
+
+19
+-1864.7664388138808 11.97838 13.71557 -9.5007 -7.3321 -11.355 1.0195 0.1175 3.187 10.78084 -2.89285 9.2459583836 11.7534140518 0.196468255
+C      1.12476092      1.05282843      0.84394424
+C      2.48716538      0.86468175      0.20327290
+O      3.26546610      2.03827489      0.42686313
+C      4.56761778      1.93398084     -0.14795688
+C      5.36843110      3.15936359      0.19170366
+C      6.47540679      3.59409974     -0.74178368
+C      5.21062488      4.41181167     -0.63544544
+H      0.50531520      0.15843468      0.68884963
+H      0.60573043      1.91587969      0.40470229
+H      1.22516105      1.22329923      1.92471502
+H      2.38438120      0.68166638     -0.88648847
+H      3.00441559     -0.01737748      0.63437741
+H      4.49022279      1.82582311     -1.25087802
+H      5.07313732      1.02322188      0.23604370
+H      5.54789653      3.29988646      1.26030713
+H      6.62974210      3.01180266     -1.65202249
+H      7.38987612      3.98984529     -0.29986687
+H      5.25661324      5.37336791     -0.12411688
+H      4.50720546      4.37407930     -1.46864039 
+
+17
+-1724.3371396387429 11.768488 12.98515 -8.8185 -6.6814 -9.467 0.9735 0.111 1.204 8.98975 -0.71577 6.4034801448 6.4034801448 0.35981541
+C      2.27118154     -0.01105224     -0.45091085
+C      2.22933923      1.27340272     -0.06010109
+O      3.25998865      2.15214899      0.07902998
+C      4.57141489      1.64834227     -0.24547593
+C      5.57409883      2.74736604     -0.05155273
+C      6.11816117      3.03209780      1.32759506
+C      6.99890841      2.37445653      0.29329093
+H      1.33731286     -0.56697989     -0.50245607
+H      3.18677627     -0.53329011     -0.72070871
+H      1.28980348      1.76505427      0.20314604
+H      4.56676978      1.29019310     -1.29113344
+H      4.80299654      0.78847561      0.41074931
+H      5.44169398      3.60672053     -0.71270236
+H      5.74848175      2.41667602      2.14913049
+H      6.31772084      4.07030839      1.59221739
+H      7.80076005      2.95952063     -0.15665744
+H      7.23052172      1.31566934      0.42073942 
+
+17
+-1747.19850717213 11.186475 12.74978 -9.2176 -7.1614 -10.582 1.2968 -0.5057 0.26 9.63411 0.47544 3.7392689768 11.8330502596 0.261285056
+C      0.86457326      0.01238657     -0.24852940
+C      2.31559922     -0.32054058      0.04606965
+O      2.74255337     -1.46316296     -0.02563442
+C      3.20052825      0.85650051      0.45191143
+C      4.67847758      0.55429136      0.45882864
+C      5.50779406      0.80594305     -0.77665512
+C      5.67881101      1.68530881      0.44235766
+H      0.44538136      0.68249861      0.51659074
+H      0.27183827     -0.90648590     -0.31542919
+H      0.80480667      0.54925007     -1.20876654
+H      2.85799572      1.16777211      1.45790847
+H      2.97319051      1.71612533     -0.20272111
+H      4.94968351     -0.33017177      1.03819502
+H      5.00720084      1.23708276     -1.64571309
+H      6.29678164      0.09441709     -1.01966960
+H      6.58840307      1.57856847      1.03422635
+H      5.29435165      2.70559647      0.38887052 
+
+19
+-1873.7447313517769 11.749381 13.38485 -9.8188 -7.6104 -11.292 0.912 -0.0376 2.893 10.99693 -2.59446 9.3118569426 11.7827863352 0.278871084
+C      1.13861156     -0.42716427     -0.23889589
+C      2.62887884     -0.27431776     -0.53424511
+O      2.85263446      0.06165066     -1.91809403
+C      3.31057366      0.73255215      0.40340996
+C      4.81075136      0.80747579      0.22257958
+C      5.68495971      1.35178835      1.32590943
+C      5.71321909     -0.12518942      0.99788006
+H      0.97124763     -0.79035961      0.78594956
+H      0.68108596     -1.13846798     -0.93963026
+H      0.61856995      0.54013234     -0.33923176
+H      3.12596374     -1.25229706     -0.41934191
+H      2.37829244      0.89551550     -2.09231987
+H      3.07957058      0.45996279      1.44817279
+H      2.85667622      1.72882642      0.23827022
+H      5.12803686      1.03124970     -0.79848082
+H      5.19789283      1.65271913      2.25556954
+H      6.54917364      1.95853748      1.05340179
+H      6.59552320     -0.52800080      0.49976954
+H      5.24532825     -0.80836343      1.70971717 
+
+17
+-1665.0912015632439 10.733082 12.34244 -9.8613 -7.6365 -11.691 0.9788 0.0424 2.854 11.07035 -2.57732 9.2508682292 11.2335903482 0.203348021
+C      5.23528807      4.06127847      2.31841723
+C      4.98581939      3.34302045      1.00634683
+O      6.22789051      3.20737530      0.31237520
+C      6.06808856      2.56910812     -0.94834249
+C      7.40519573      2.56022001     -1.64791671
+C      8.27877676      1.37770052     -1.62826044
+O      7.49185714      1.69471086     -2.79655667
+H      4.29136937      4.18068820      2.86823178
+H      5.66155347      5.05809383      2.14070192
+H      5.93341349      3.49263242      2.94770761
+H      4.26913393      3.91004219      0.37844052
+H      4.54582007      2.34102992      1.18467985
+H      5.33029060      3.11769185     -1.56902046
+H      5.70096664      1.52971952     -0.83224907
+H      7.86865431      3.54554985     -1.78008333
+H      7.95662748      0.48706565     -1.07834912
+H      9.35951449      1.50271285     -1.74893266 
+
+15
+-1524.1471669844648 10.529218 11.62418 -9.1052 -6.9297 -9.66 1.0081 0.133 1.049 9.20195 -0.56682 6.4435896158 6.4435896158 0.366251824
+C      4.45530982      3.64733007      1.43469069
+C      5.70800551      3.72107877      0.96100843
+O      6.25255748      3.04832714     -0.09468604
+C      5.37043089      2.16336025     -0.79929082
+C      6.14948528      1.55429282     -1.93758426
+C      6.80081078      0.24310228     -1.80043008
+O      5.55373444      0.37813538     -2.51523181
+H      4.18955050      4.25959629      2.29374112
+H      3.68405588      3.00784414      1.01020808
+H      6.46298565      4.37048130      1.40897562
+H      4.50481563      2.73117111     -1.18504834
+H      4.99708629      1.37072111     -0.12761266
+H      6.55857649      2.26566395     -2.66470755
+H      6.73557353     -0.28791587     -0.84485164
+H      7.66884181      0.00662126     -2.42359075 
+
+15
+-1548.5103838201787 9.942528 11.36982 -9.5055 -7.4206 -10.886 1.081 -0.7792 -0.019 9.92416 0.73331 3.7401244802 11.4149694676 0.199302968
+C      1.04108118     -0.19664191     -0.40174437
+C      2.51610673     -0.33576441     -0.08206622
+O      3.07726150     -1.42182863     -0.06462505
+C      3.26176487      0.96020445      0.22269685
+C      4.74449281      0.77240386      0.42221706
+C      5.71201558      1.02686215     -0.65495926
+O      5.53829681      1.97908409      0.41529463
+H      0.52146230      0.36236072      0.39074408
+H      0.58937518     -1.18740011     -0.51981689
+H      0.91237293      0.37886966     -1.33142626
+H      2.81298533      1.40043845      1.13177275
+H      3.07003280      1.69257682     -0.57924262
+H      5.02761032      0.05021511      1.19549501
+H      5.34894312      1.35673743     -1.63502655
+H      6.66872853      0.49496232     -0.65712315 
+
+17
+-1675.8745460986381 10.396036 11.71816 -9.8406 -7.6278 -11.808 0.878 -0.0287 2.59 11.22356 -2.3052 9.208254241 11.1763584106 0.176410326
+C      3.94980854     -0.64141226     -1.48796639
+C      3.05654135     -0.36380506     -0.27613833
+O      3.23757736     -1.35445367      0.74538551
+C      3.22447666      1.05516083      0.30574360
+C      4.64725463      1.38832831      0.69136725
+C      5.00768957      1.87424884      2.03445308
+O      5.27594033      0.50400617      1.66904588
+H      3.75508512      0.07507339     -2.30121981
+H      3.75164219     -1.65352842     -1.86436218
+H      5.01562637     -0.58585081     -1.22191445
+H      2.00352023     -0.46844969     -0.58887500
+H      4.01834019     -1.08098441      1.26687732
+H      2.56797540      1.13688345      1.18570011
+H      2.88343136      1.80137310     -0.43138067
+H      5.32631704      1.65000138     -0.12881032
+H      4.21597112      2.00999643      2.77872320
+H      5.90114255      2.49219241      2.16828119 
+
+15
+-1588.9117325668904 14.711575 13.86657 -7.9612 -6.0558 -8.289 0.7333 -0.7754 0.191 7.8383 0.36545 4.8709511918 4.8709511918 0.913257745
+C      0.86819765      0.77016643      0.11532315
+C      2.17251488      0.58235246     -0.09990347
+O      3.10435927      1.52823234      0.25986188
+C      4.42293848      1.24943716      0.01553797
+C      5.39357618      2.12774169      0.33678521
+C      6.79341120      1.86632612      0.09079821
+C      7.79821999      2.71488731      0.38874883
+H      0.16376115     -0.00122742     -0.18524504
+H      0.49077460      1.67768863      0.58441796
+H      2.58272626     -0.31764454     -0.56837106
+H      4.62581054      0.27944901     -0.45059571
+H      5.10807331      3.07633017      0.79983862
+H      7.03628119      0.90338714     -0.37296451
+H      7.60601641      3.68550975      0.85110202
+H      8.83600889      2.45935375      0.17728594 
+
+13
+-1430.5188602835728 13.728101 13.41332 -8.3073 -6.3434 -8.492 0.6857 -0.8621 0.387 8.06855 0.18664 4.0729648972 5.6129454088 0.542252918
+C      0.95420919     -0.16656434     -0.07642238
+C      2.28642045     -0.09672182     -0.09996991
+O      2.94078872      1.11527527     -0.03683945
+C      4.30476883      1.10090108     -0.04883680
+C      5.00535540      2.25360729      0.00574701
+C      6.41645365      2.29011038     -0.00170903
+C      7.63267384      2.36577723     -0.00471730
+H      0.47233929     -1.13948032     -0.12989026
+H      0.33630027      0.72744735     -0.00568784
+H      2.93910436     -0.97205790     -0.17019955
+H      4.78194857      0.11822079     -0.10334232
+H      4.46034165      3.20003470      0.05874387
+H      8.70132577      2.42683028     -0.00788604 
+
+15
+-1588.614956714518 13.041721 12.8773 -8.5468 -6.5912 -8.586 0.4894 -1.0735 0.186 8.03631 0.3503 5.1683068156 5.1683068156 0.672059156
+C      3.15623645     -0.36010888     -0.06809650
+C      4.39793155      0.04568527     -0.34358495
+O      4.89968069      1.22124529      0.16919534
+C      5.88402314      1.87959260     -0.54687773
+C      6.08430644      1.71861430     -1.87258853
+C      6.66866673      2.79806332      0.27474304
+C      6.51568631      2.97631396      1.59718275
+H      2.82212959     -1.33386308     -0.41873087
+H      2.47120260      0.25595657      0.51322452
+H      5.11212349     -0.53684629     -0.93310074
+H      5.45748878      1.07872872     -2.48935732
+H      6.88896449      2.26825904     -2.35600000
+H      7.41978898      3.37068790     -0.27454281
+H      5.76798796      2.41953097      2.16228150
+H      7.13745279      3.68903032      2.13813231 
+
+13
+-1426.715699289503 12.682569 12.50773 -8.4277 -6.463 -8.756 0.4474 -1.1491 0.375 8.23624 0.16693 4.0763373164 5.7180607396 0.411611787
+C      0.88292505      2.21886222      0.01927049
+C      2.21688374      2.25525291     -0.03305376
+O      2.95047778      1.08972863      0.01024977
+C      4.33535269      1.12465957     -0.03960966
+C      5.00102436     -0.04698781     -0.00097997
+C      5.00050842      2.38189048     -0.12802140
+C      5.58041171      3.44814554     -0.20407938
+H      0.32580953      3.15191705     -0.01680929
+H      0.33584660      1.28001485      0.09786567
+H      2.79918458      3.17522888     -0.11015995
+H      4.45721982     -0.98758348      0.06667520
+H      6.08638748     -0.05312963     -0.03734755
+H      6.09757824      4.38381079     -0.27015017 
+
+15
+-1569.908456232687 11.851774 12.99846 -9.0475 -6.8868 -9.57 0.9639 0.0484 1.127 9.0935 -0.63472 4.3778340726 10.6564603154 0.693784446
+C      2.95628875     -0.86153497      0.50161415
+C      2.54975153      0.40073347      0.70444003
+O      3.22385047      1.55859133      0.44365240
+C      4.53628130      1.41394320     -0.11366052
+C      5.09571158      2.82472537     -0.31526572
+C      6.43503138      2.79954457     -0.88710587
+C      7.54990836      2.75138027     -1.36391179
+H      2.28165117     -1.67151929      0.77028797
+H      3.92507336     -1.12575541      0.08251586
+H      1.57074586      0.63581313      1.12743703
+H      4.48010278      0.87579363     -1.07500338
+H      5.17636800      0.83557127      0.57415208
+H      5.10963380      3.34809250      0.65431148
+H      4.41608365      3.39039110     -0.97276294
+H      8.53398802      2.72089983     -1.78483077 
+
+15
+-1613.389826150484 13.493058 13.1413 -9.0587 -7.1462 -9.099 -0.6593 -2.1996 -0.953 8.56419 1.57832 3.47718737 4.5029483452 0.793972484
+C      1.13641822     -0.48980281      0.05001662
+C      2.63811310     -0.29300370     -0.03692780
+O      3.41092561     -1.24471952     -0.13894925
+C      3.11294836      1.11397528      0.01026338
+C      4.43074426      1.42330431     -0.03530788
+C      4.96184904      2.76545820      0.00810120
+C      6.28083070      3.04375628     -0.03426899
+H      0.63408698      0.04227877     -0.77268331
+H      0.75150009     -0.06049521      0.98800301
+H      0.89399907     -1.55665797      0.00361957
+H      2.36139031      1.90636197      0.08680954
+H      5.13980779      0.59047173     -0.10942455
+H      4.24069569      3.58691247      0.07889861
+H      7.02411176      2.24646889     -0.10468195
+H      6.64941902      4.06900132      0.00019181 
+
+13
+-1453.2727337627166 12.665694 12.63022 -9.3575 -7.5297 -9.438 -0.8531 -2.4741 -1.132 8.98902 1.65642 3.3593138798 4.2791040208 0.400305955
+C      3.05214915     -1.36306254      0.06563524
+C      2.33097667     -0.02697128      0.04832331
+O      1.10164258      0.03540350      0.04697483
+C      3.11729340      1.22719989      0.02941281
+C      4.47219174      1.28834075      0.02579339
+C      5.21455103      2.48885149      0.00362845
+C      5.88478559      3.50558547     -0.01293141
+H      3.70991603     -1.44789503      0.94310722
+H      3.67879368     -1.48297941     -0.83060489
+H      2.30599372     -2.16385254      0.09358537
+H      2.51933636      2.14117943      0.01591512
+H      5.05782041      0.36330207      0.03934757
+H      6.46607963      4.40508820     -0.02834701 
+
+15
+-1606.4423280882584 11.82675 12.28117 -9.1289 -7.1597 -9.348 -0.2627 -1.909 -0.585 9.37342 1.3082 3.5014514302 5.7764953414 0.371117046
+C      2.98447648     -1.15631488      0.49594247
+C      2.31650894      0.20252753      0.44224421
+O      1.11659608      0.32608861      0.65677348
+C      3.18582381      1.40657161      0.12224908
+C      2.57183530      2.59792107     -0.03117984
+C      4.64327085      1.23843660     -0.02547210
+C      5.56296565      2.09182510      0.45247897
+H      3.83009757     -1.14735311      1.19973482
+H      3.39311179     -1.42495973     -0.49066014
+H      2.24909256     -1.90831342      0.79973796
+H      1.49276572      2.66874080      0.11225067
+H      3.12869636      3.49157866     -0.31406618
+H      4.98833282      0.34219167     -0.55098520
+H      5.27708855      2.97288861      1.03104998
+H      6.62802751      1.92304086      0.29089181 
+
+13
+-1449.6120117222208 11.605396 12.09544 -9.5626 -7.4553 -9.278 -0.5087 -2.1608 -0.889 9.47928 1.48616 3.4439467234 7.0603331756 0.295700986
+C      0.96974428     -0.04685495     -0.26930439
+C      2.48661315     -0.03986385     -0.22784573
+O      3.13300092     -1.06754379     -0.37000217
+C      3.19512920      1.28321811     -0.00300606
+C      2.51424909      2.43828206      0.18473338
+C      4.61947651      1.24704301      0.00407676
+C      5.83380927      1.20391786      0.00556947
+H      0.59116934      0.60742137     -1.06769270
+H      0.54591861      0.30886706      0.68094871
+H      0.63635762     -1.07349918     -0.45188314
+H      1.42556613      2.46414147      0.17869667
+H      3.03909173      3.37902989      0.34896200
+H      6.90349416      1.15535095      0.00582719 
+
+19
+-1893.4679802825917 11.650236 12.83014 -9.0644 -7.0681 -10.472 1.2499 -0.488 0.329 9.49459 0.43 3.7517667656 11.1015080624 0.148934192
+C      2.35024381     -0.76585491      1.29701343
+C      2.47522315     -0.00701192     -0.01488602
+O      2.01209527     -0.47687774     -1.04463670
+C      3.20279568      1.35900750     -0.00473576
+C      2.92702332      2.09879827     -1.32062976
+C      2.73366176      2.21559978      1.18858353
+C      4.71853428      1.07475998      0.11996281
+H      3.24931393     -0.68911492      1.92310145
+H      2.12326964     -1.81646583      1.08367224
+H      1.51607484     -0.34104321      1.87755328
+H      3.23181628      1.49628713     -2.18553583
+H      3.47898205      3.05003068     -1.33856321
+H      1.85585212      2.31784293     -1.43400792
+H      2.96539036      1.74841084      2.15596966
+H      1.64947480      2.39983545      1.14493215
+H      3.23841291      3.19325149      1.16285974
+H      4.96959106      0.56036770      1.05862873
+H      5.27364074      2.02489337      0.10125324
+H      5.07444400      0.45793341     -0.71793505 
+
+13
+-1453.0546977665915 12.906577 13.25059 -9.4904 -7.5656 -9.382 -0.673 -2.3286 -0.93 9.33634 1.56025 3.2466478016 5.9877674854 0.387925543
+C      0.96451598     -0.02306797      0.00168438
+C      2.46861256     -0.07363332      0.16359829
+O      3.08888770     -1.11846634      0.34892010
+C      3.15516171      1.19865018      0.08896191
+C      3.72816164      2.27860133      0.02940020
+C      4.45927413      3.48743316     -0.03072794
+C      3.89496945      4.70645230     -0.14669275
+H      0.52395518      0.60990355      0.78597897
+H      0.55384899     -1.03693875      0.06238783
+H      0.70441852      0.43435405     -0.96412850
+H      5.54892412      3.39716304      0.02549917
+H      2.81279820      4.82816742     -0.20303162
+H      4.51176182      5.60410136     -0.18426003 
+
+11
+-1295.5058415811463 12.871672 13.11165 -9.7316 -7.7551 -9.38 -0.9708 -2.6174 -0.959 8.92027 1.66197 2.7872424758 8.2451061958 0.94983765
+C      0.97634829      0.00055569     -0.00562000
+C      2.49085313     -0.06376814      0.00185594
+O      3.10935863     -1.12532988      0.00465707
+C      3.19586082      1.19867460      0.00435513
+C      3.80257125      2.26572558      0.00294777
+C      4.47593305      3.44082599      0.00012825
+C      5.07834670      4.50292042     -0.00229664
+H      0.59648132      1.02840122      0.01060022
+H      0.59736250     -0.55003126      0.86662911
+H      0.60843801     -0.51547844     -0.90359120
+H      5.60952630      5.43264422     -0.00410566 
+
+17
+-1749.6516769121106 11.94473 13.23133 -9.2729 -7.1809 -9.61 1.2132 -0.5997 0.19 9.66095 0.5543 3.7310735022 6.6510305924 0.491206111
+C      0.25036338     -0.05837763      1.05727916
+C      1.64551212     -0.62378686      0.86682352
+O      1.89046283     -1.80782490      1.04772948
+C      2.71865407      0.36737214      0.43106013
+C      4.12542347     -0.23357665      0.34504979
+C      5.13124257      0.74289929     -0.18854256
+C      6.21988078      1.16417375      0.46575003
+H      0.25984006      0.73711795      1.81767493
+H     -0.43759555     -0.85411380      1.36255170
+H     -0.10614890      0.40201299      0.12317955
+H      2.69991144      1.23023772      1.11957798
+H      2.40740546      0.78112851     -0.54607312
+H      4.08049477     -1.12354095     -0.30465342
+H      4.43409906     -0.59580613      1.33733994
+H      4.93720828      1.13207972     -1.19606910
+H      6.45411392      0.80183315      1.47031854
+H      6.91603224      1.87546171      0.01930346 
+
+15
+-1593.9365808982852 11.384691 12.87607 -9.4792 -7.378 -9.909 1.0937 -0.7464 0.113 9.73566 0.63038 3.728692971 10.7048396526 0.506041935
+C      1.31276481     -0.85641723     -0.05238618
+C      2.82219183     -0.73438896      0.01858519
+O      3.54827044     -1.71389663      0.10863534
+C      3.38331707      0.68138753     -0.03067212
+C      4.91612210      0.72617309      0.03898563
+C      5.43787580      2.08553494     -0.00629558
+C      5.85287973      3.22597058     -0.04605921
+H      0.84185450     -0.28387212      0.76071634
+H      1.01950406     -1.90941262      0.01625742
+H      0.94168247     -0.42970515     -0.99660013
+H      2.93975889      1.26211627      0.79568339
+H      3.02136468      1.16960593     -0.95129657
+H      5.33663557      0.13472704     -0.78947380
+H      5.25414013      0.22444558      0.95929923
+H      6.22956792      4.22765174     -0.08047894 
+
+17
+-1730.1600423232508 12.223723 12.91271 -9.483 -7.2943 -9.192 1.2472 -0.3149 0.958 8.69834 -0.49072 6.172395038 6.172395038 0.448081574
+C      0.71528983      0.18858678     -0.04927718
+C      2.25425109      0.05544692     -0.02751880
+O      2.65474235     -0.80701015      1.04399915
+C      2.72424085     -0.56899345     -1.32730019
+C      3.37613380     -1.72967118     -1.43090620
+C      2.88107661      1.43858292      0.09112579
+C      3.79712424      1.79368262      0.99662729
+H      0.37872947      0.80091870     -0.89821569
+H      0.36211882      0.67167360      0.87477851
+H      0.26460613     -0.80902419     -0.13283185
+H      2.32218226     -0.40698693      1.86648821
+H      2.48541530      0.01475051     -2.22184714
+H      3.62233445     -2.31680880     -0.54590468
+H      3.68041231     -2.11592840     -2.40427673
+H      2.52388361      2.17213539     -0.64006892
+H      4.18968902      1.07469834      1.71840421
+H      4.19544987      2.80832733      1.02686420 
+
+15
+-1571.2906649434403 11.59912 12.46504 -9.9375 -7.7598 -9.736 1.3682 -0.1877 1.225 9.16823 -0.61428 4.3410226292 10.5559324666 0.606539992
+C      0.99956134     -0.03138112      0.18400524
+C      2.53414762     -0.01951573      0.00326191
+O      3.16515096     -0.72553971      1.10397271
+C      2.90569159     -0.81691287     -1.23388715
+C      3.40619700     -0.32395233     -2.36734634
+C      3.01651549      1.36820303     -0.04818850
+C      3.38998367      2.52330039     -0.03662123
+H      0.50580912      0.46969341     -0.65894296
+H      0.72293166      0.48971200      1.11161901
+H      0.65284793     -1.07178594      0.24183859
+H      3.03622734     -0.18195250      1.90249248
+H      2.69993992     -1.88621381     -1.12475011
+H      3.62331380      0.74044193     -2.47809147
+H      3.61582498     -0.97496436     -3.21657405
+H      3.72890758      3.53938760     -0.03290815 
+
+13
+-1409.9611325575704 11.26168 12.37547 -10.3112 -7.9572 -9.623 1.1394 -0.389 1.673 9.29862 -1.36916 4.3464036216 10.593115868 0.906804769
+C      0.95338951     -0.02571126     -0.00740516
+C      2.49985970     -0.02624761      0.02640484
+O      2.97277170     -0.69530991      1.22345953
+C      3.02491933     -0.78365133     -1.12213650
+C      3.40879482     -1.40377276     -2.08960267
+C      3.00641172      1.35779300     -0.01409399
+C      3.38830768      2.50900107      0.01557414
+H      0.58673578      0.42910343     -0.93618327
+H      0.56997872      0.54754391      0.84699389
+H      0.60226457     -1.06259732      0.05774936
+H      2.92180354     -0.03934799      1.94301228
+H      3.76548364     -1.95304905     -2.93694768
+H      3.74183929      3.52008584      0.02573522 
+
+19
+-1879.2657912483837 12.59914 13.75325 -8.9922 -6.9876 -8.975 1.0725 -0.2137 1.288 8.36462 -0.60745 6.0716688116 6.0716688116 0.370478026
+C      1.81873940     -0.54875539      1.54486988
+C      2.81705114     -0.25487519      0.42492822
+O      2.25188387     -0.61421120     -0.86579829
+C      3.27642534      1.17939286      0.44900947
+C      4.46898795      1.65646351      0.03867754
+C      5.57648437      0.79938486     -0.51260918
+C      4.77759103      3.12895322      0.10211536
+H      2.28330150     -0.39660428      2.53098522
+H      1.46913265     -1.58727028      1.47610008
+H      0.94374319      0.11628693      1.47260291
+H      3.67891130     -0.93215954      0.53728547
+H      1.79697069      0.17730674     -1.20539945
+H      2.54075307      1.90083569      0.82705405
+H      5.31196407     -0.26233102     -0.57137322
+H      6.48795704      0.90430799      0.09910334
+H      5.84481830      1.13398252     -1.52812912
+H      3.93955235      3.70756440      0.51255943
+H      5.01382502      3.52299156     -0.90022976
+H      5.66662772      3.31659661      0.72647807 
+
+17
+-1736.9432491101466 13.405468 13.55329 -8.7521 -6.7395 -8.545 0.4157 -1.1122 0.173 8.0597 0.38505 5.1080744168 5.1080744168 0.820307995
+C      4.21728768     -0.95994970     -0.46830128
+C      2.94823360     -0.23366261     -0.03132241
+O      2.42280265     -0.78948734      1.19962912
+C      3.06399839      1.25944079      0.10920864
+C      4.16634365      2.01017155     -0.09857289
+C      4.21533439      3.44824461      0.09400127
+C      5.31105618      4.20361396     -0.11247527
+H      4.53910030     -0.63622296     -1.46879283
+H      4.02190339     -2.03946416     -0.49990975
+H      5.04412233     -0.78201931      0.23611670
+H      2.15071473     -0.44874189     -0.76497433
+H      3.01581941     -0.49447689      1.91553194
+H      2.14294051      1.74928332      0.44637360
+H      5.09334233      1.53438691     -0.43759401
+H      3.28962408      3.92800546      0.43139376
+H      6.25052796      3.75886181     -0.44954069
+H      5.30061842      5.28149645      0.04840843 
+
+15
+-1577.8123030912732 12.779913 13.42569 -9.0546 -7.0295 -8.726 0.47 -1.1443 0.426 8.31385 0.14498 4.0830697562 5.9850397934 0.391598497
+C      0.85101188     -0.23048351     -0.10737222
+C      2.35514326     -0.01377116      0.06315051
+O      3.11110378     -0.82273130     -0.86540052
+C      2.73386616      1.43472925     -0.06503550
+C      3.37191845      2.13715988      0.89352085
+C      3.73739433      3.50179052      0.78651178
+C      4.07064506      4.67181635      0.73271022
+H      0.28535997      0.31111655      0.66410048
+H      0.61587682     -1.30104431     -0.03465738
+H      0.51221022      0.13523168     -1.09009562
+H      2.66957263     -0.38098243      1.05330987
+H      2.82537895     -0.58402872     -1.76653220
+H      2.47031026      1.93023265     -1.00685969
+H      3.63619588      1.63766860      1.83297913
+H      4.35960235      5.70111594      0.67574030 
+
+17
+-1734.2283913299923 12.562896 12.88002 -8.8893 -6.8402 -8.714 0.4619 -1.0712 0.218 8.1771 0.31768 5.2883376622 5.2883376622 0.74439377
+C      1.03689523     -0.03998810     -0.44704843
+C      2.54327813      0.17742568     -0.33258229
+O      3.23312961     -0.45063713     -1.43816135
+C      2.98844831      1.62743178     -0.17462009
+C      2.14056362      2.66464669     -0.34883775
+C      4.38681255      1.89636561      0.18421573
+C      5.36743890      0.98923143      0.34135257
+H      0.50743627      0.33317441      0.44135248
+H      0.84200755     -1.11594221     -0.54280172
+H      0.62103504      0.45741755     -1.33608126
+H      2.90405966     -0.37676983      0.55095462
+H      3.12641725      0.13571778     -2.20911685
+H      1.08821883      2.52742132     -0.59455508
+H      2.49058612      3.69311194     -0.24005281
+H      4.62283498      2.95461168      0.34211081
+H      5.20818688     -0.07490262      0.16547191
+H      6.37042107      1.30418402      0.63082951 
+
+15
+-1577.9245610405617 12.026726 12.57886 -9.1987 -7.0743 -8.861 0.55 -1.0131 0.497 8.36076 0.05533 4.0619425418 6.0668333576 0.443068179
+C      1.10321564     -0.09852627      0.30712728
+C      2.54694753      0.03216523     -0.18212307
+O      2.73888707     -0.63191528     -1.43071980
+C      3.00904706      1.49648945     -0.22419999
+C      3.49937497      2.06453212     -1.34360935
+C      2.91438641      2.21771764      1.00062813
+C      2.82608287      2.77955997      2.07741116
+H      0.97619721      0.36608311      1.29365797
+H      0.82851766     -1.15940974      0.37361347
+H      0.41561691      0.40506875     -0.39155680
+H      3.21294656     -0.49683945      0.52148743
+H      2.01427716     -0.35691529     -2.02266353
+H      3.60368452      1.47690403     -2.25537646
+H      3.82160605      3.10489236     -1.35104354
+H      2.75514237      3.29744336      3.01208710 
+
+21
+-2019.4654056636223 12.143463 13.3962 -9.8414 -7.6857 -11.726 0.8423 -0.1054 2.623 11.30187 -2.28277 9.4477208014 10.7930556916 0.10482422
+C      0.96635283     -0.11116895      0.01213369
+C      2.48735931      0.03620032     -0.04117732
+O      3.01749832     -0.72455614     -1.14456106
+C      3.02205840      1.50425826     -0.03681421
+C      2.57011863      2.26842313     -1.29372220
+C      2.51927372      2.23684232      1.22029650
+C      4.56045598      1.45468924     -0.00024292
+H      0.53589467      0.34960319      0.91163890
+H      0.70712774     -1.17846832      0.01876065
+H      0.48492153      0.34996941     -0.86538011
+H      2.91699341     -0.45784247      0.84869158
+H      2.51644731     -0.46882698     -1.93941034
+H      2.92932838      1.78025449     -2.21332329
+H      2.98600819      3.28722890     -1.28852582
+H      1.47526614      2.36205158     -1.35154645
+H      2.75592075      1.66950842      2.13471391
+H      1.43357065      2.40904765      1.19643020
+H      3.00734844      3.21966714      1.30660781
+H      4.91639451      0.96167037      0.91800006
+H      4.98015943      2.47173195     -0.02061148
+H      4.95617165      0.89410651     -0.85743809 
+
+19
+-1875.0859939172292 12.198798 13.24936 -9.518 -7.3921 -9.546 1.3295 -0.1429 1.268 8.98106 -0.69218 6.6163641068 6.6163641068 0.439218936
+C      3.36990795     -1.12903907     -0.52616988
+C      2.67227992     -0.10720889      0.36531175
+O      2.66093144     -0.53233292      1.74029388
+C      3.24038856      1.33361847      0.20558923
+C      2.33023549      2.35110098      0.91247182
+C      4.65334304      1.44508407      0.71308449
+C      5.73697541      1.67705611     -0.03774270
+H      3.28177083     -0.85208323     -1.58721615
+H      2.91802966     -2.12077934     -0.38852065
+H      4.44362365     -1.19324584     -0.28871969
+H      1.60395017     -0.06289675      0.09224540
+H      3.57211518     -0.78867253      1.97071518
+H      3.24535897      1.55051367     -0.87782129
+H      2.26108530      2.12454331      1.98615863
+H      1.31268134      2.31785074      0.49501538
+H      2.71638103      3.37312706      0.79625638
+H      4.77575947      1.34793991      1.79961048
+H      5.66573627      1.80222436     -1.12166267
+H      6.73126632      1.75944990      0.40478041 
+
+17
+-1717.6533952849654 11.804966 13.08516 -9.8556 -7.5329 -9.757 0.8425 -0.1364 2.287 9.31002 -1.9409 4.355132236 10.7690272048 0.24399007
+C      0.93327054     -0.06642780      0.05243875
+C      2.46032769     -0.01539222      0.03000940
+O      2.98036151     -0.77803800     -1.06484274
+C      3.01522108      1.43873583      0.01874812
+C      2.52466928      2.27766802      1.21780497
+C      4.47679506      1.43997068     -0.03539158
+C      5.69036831      1.46807700     -0.03679888
+H      0.51575849      0.35319834      0.97773694
+H      0.60774786     -1.11200902     -0.02541448
+H      0.50681421      0.49096020     -0.79810738
+H      2.85977187     -0.52066222      0.92505343
+H      2.66636640     -0.36626818     -1.89094343
+H      2.64071884      1.91618262     -0.90893495
+H      2.79918382      1.79251174      2.16568091
+H      1.43546617      2.41028177      1.19128948
+H      2.99190036      3.27038700      1.20124115
+H      6.76089850      1.47433425     -0.04952972 
+
+15
+-1580.0372795309443 12.906542 13.79804 -9.0935 -7.0233 -8.739 0.401 -1.2066 0.438 8.30145 0.09907 3.7801099652 6.0001660854 0.480546836
+C      0.96328133     -0.10657281      0.00811475
+C      2.49463090     -0.03139786     -0.03027310
+O      3.03600349     -0.74229486     -1.16350997
+C      2.97312617      1.35125257      0.01351232
+C      3.33766428      2.51670621      0.00135107
+C      3.83073586      3.84613235     -0.00135039
+C      3.06016147      4.95135334      0.00021547
+H      0.57604661      0.35208883      0.92856212
+H      0.65005162     -1.15808873     -0.02914886
+H      0.52950929      0.42608086     -0.85021789
+H      2.90016622     -0.57286211      0.84161863
+H      2.89034274     -0.18229143     -1.94813342
+H      4.92092732      3.95332076     -0.00123973
+H      1.97148561      4.88478853      0.00146309
+H      3.50983710      5.94401436      0.00336590 
+
+13
+-1424.734563354393 12.906503 13.65074 -9.4726 -7.3288 -8.831 0.5423 -1.1001 0.826 8.43675 -0.41303 3.2100843302 7.9527348092 2.03667356
+C      0.97741857     -0.02581408      0.00744616
+C      2.51100061      0.02022807     -0.03071735
+O      3.04460199     -0.70355884     -1.15568843
+C      3.01106376      1.39389420      0.00850903
+C      3.41296478      2.55007010     -0.00284162
+C      3.86528779      3.83139454     -0.00402603
+C      4.27036285      4.98304007     -0.00342628
+H      0.59640623      0.44470571      0.92422410
+H      0.64960620     -1.07289776     -0.02299895
+H      0.55336665      0.50754470     -0.85502671
+H      2.90668657     -0.51825367      0.84763148
+H      2.87075110     -0.16944891     -1.95275227
+H      4.62735290      5.99204587     -0.00138313 
+
+19
+-1878.1628936120437 12.116058 13.03737 -9.4336 -7.2744 -9.217 1.041 -0.2623 1.263 8.59628 -0.63514 6.271769817 6.271769817 0.374809754
+C      3.17560136     -1.52417153     -1.00023177
+C      2.81528120     -0.52254274      0.09870583
+O      2.90915154     -1.12742665      1.39380711
+C      3.61289724      0.80896888      0.04657202
+C      5.09952367      0.64926560      0.28410291
+C      5.99041800      0.55844412     -0.92720321
+C      5.59952611      0.59392782      1.53296593
+H      3.05258636     -1.08523275     -2.00223767
+H      2.52073521     -2.40237397     -0.92299108
+H      4.21462045     -1.87225011     -0.89839252
+H      1.75015382     -0.25657479     -0.00498959
+H      3.86383149     -1.19783024      1.59589747
+H      3.18486043      1.46339146      0.82026446
+H      3.43130971      1.28772422     -0.92940803
+H      5.67945396     -0.25019335     -1.60590020
+H      7.04049643      0.39635599     -0.64980844
+H      5.92908816      1.49198457     -1.51096856
+H      4.96113645      0.72552734      2.40930868
+H      6.66751843      0.45128612      1.71176667 
+
+19
+-1875.6195001838096 12.497699 13.86932 -9.5138 -7.2611 -9.515 0.8808 -0.0873 1.337 8.97849 -0.78251 6.6640367238 6.6640367238 0.477340215
+C      0.93998464     -0.11837254     -0.04585545
+C      2.46641955     -0.08920492     -0.05484227
+O      2.99563435     -0.85787155     -1.15329206
+C      3.02077443      1.34090795     -0.04632179
+C      4.55281610      1.40264244      0.06285526
+C      5.08994642      2.79761377     -0.05747379
+C      5.79999131      3.44004441      0.87743717
+H      0.53878405      0.37830416      0.84970932
+H      0.57714277     -1.15491317     -0.06201076
+H      0.53387886      0.40482261     -0.92742666
+H      2.84174178     -0.61954564      0.83742003
+H      2.61790953     -0.48835537     -1.97274665
+H      2.56921772      1.89751191      0.79197346
+H      2.68989373      1.85324345     -0.96940687
+H      4.97666908      0.77023553     -0.73609542
+H      4.87432946      0.96121569      1.02102872
+H      4.86325411      3.31770114     -0.99684481
+H      6.04957312      2.96382401      1.82952984
+H      6.16056900      4.45811611      0.72316274 
+
+17
+-1720.0602278138085 11.937591 13.50209 -9.897 -7.5364 -9.822 0.859 -0.1305 2.27 9.41218 -1.9432 4.364183214 10.6048449436 0.718008808
+C      1.38294278     -0.73330628     -0.00881009
+C      2.88121635     -0.44420590      0.03188959
+O      3.60233762     -1.28813241     -0.88670187
+C      3.19007921      1.03882031     -0.20386567
+C      4.69138949      1.36004043     -0.07955564
+C      5.00560992      2.75219548     -0.37177702
+C      5.24653014      3.91609421     -0.62134348
+H      0.84735169     -0.16524682      0.76570717
+H      1.19697248     -1.80354525      0.15226651
+H      0.95644151     -0.44996469     -0.98512357
+H      3.27761073     -0.73722271      1.01967177
+H      3.21755720     -1.14909312     -1.77194308
+H      2.62316333      1.64931723      0.51693306
+H      2.83533003      1.33017000     -1.20788311
+H      5.25658193      0.70042076     -0.75763286
+H      5.03555230      1.11674337      0.94065879
+H      5.46646329      4.94091539     -0.83980047 
+
+17
+-1726.199507552768 12.100829 12.77406 -8.7457 -6.6514 -9.35 1.351 -0.2619 1.191 9.08455 -0.63416 6.314730966 6.6553577038 0.459730051
+C      0.91164711      0.02494093      0.42972578
+C      2.34168973      0.33857841     -0.00445386
+O      2.36089255      0.14669718     -1.44365424
+C      3.57169386     -0.01848830     -2.05338672
+C      4.80307519      0.00926011     -1.52206670
+C      2.73608175      1.74587784      0.36116430
+C      3.54931668      2.06764993      1.37111158
+H      0.82499611      0.10826266      1.52065208
+H      0.63902567     -0.99400706      0.12376256
+H      0.20618414      0.73017744     -0.03157400
+H      3.04044832     -0.38373686      0.45576523
+H      3.41123232     -0.20343302     -3.11852689
+H      5.00836309      0.22332814     -0.47628469
+H      5.65008268     -0.16927125     -2.18144953
+H      2.26359995      2.52852349     -0.24252203
+H      4.03390735      1.30089889      1.98216617
+H      3.75826349      3.10691147      1.62757095 
+
+15
+-1567.8904217047452 11.633177 13.14196 -8.9296 -6.8095 -9.413 0.9731 0.0096 1.173 8.99234 -0.66508 4.3646543608 10.719891553 0.502894332
+C      0.99547936     -0.04564677      0.23392158
+C      2.50186909     -0.02121384     -0.02036943
+O      2.71413374     -0.67748833     -1.29588035
+C      3.98364428     -1.10266474     -1.57646828
+C      5.10519876     -0.93830215     -0.86118548
+C      3.03632106      1.34298483     -0.01322567
+C      3.44622564      2.48457831      0.01166484
+H      0.77281542      0.42807381      1.19801085
+H      0.64087832     -1.08397060      0.25126223
+H      0.46999830      0.50240269     -0.55816255
+H      3.02137899     -0.61376318      0.75629214
+H      3.97656042     -1.64092421     -2.52687887
+H      5.15801754     -0.37181184      0.06637666
+H      6.02766551     -1.36980443     -1.24430192
+H      3.81473357      3.49018044      0.02026425 
+
+19
+-1872.0735708093218 12.444541 13.93578 -8.2637 -6.2772 -8.973 0.9501 0.0588 1.321 8.50606 -0.743 6.0802858386 6.0802858386 0.322429112
+C      2.24641667      4.53121684      0.29580366
+C      3.67781018      4.03527528      0.23945183
+O      3.64971623      2.61123523      0.05942356
+C      4.86173208      1.97978227     -0.01547828
+C      6.08887437      2.52517118      0.04338948
+C      7.37435415      1.74370114     -0.04798545
+C      7.23501783      0.22648602     -0.17275489
+H      2.23449388      5.61915519      0.44898168
+H      1.70161185      4.05886499      1.12453976
+H      1.71718799      4.30742221     -0.64035542
+H      4.22076652      4.27145964      1.17274179
+H      4.22798916      4.49804663     -0.59989150
+H      4.70380753      0.90672420     -0.13688147
+H      6.19974227      3.60500855      0.16349875
+H      7.99074599      1.97616838      0.83923822
+H      7.95903846      2.12340144     -0.90582681
+H      6.70558092     -0.20125917      0.69180575
+H      8.22484388     -0.24754419     -0.22536813
+H      6.68259003     -0.05625585     -1.08129253 
+
+19
+-1874.361933143499 12.922146 14.11836 -7.9454 -5.8998 -8.571 0.9187 0.0439 1.467 8.06872 -0.84081 5.8569870526 5.8569870526 0.35782897
+C      1.41851174      0.11626392     -0.46618867
+C      2.92753128      0.21548143     -0.36901901
+O      3.28829524      1.60584699     -0.31052110
+C      4.64163020      1.83704434     -0.22637268
+C      5.16869139      3.07183704     -0.14325805
+C      4.32407312      4.31459461     -0.13180702
+C      6.65889876      3.25151220     -0.05914398
+H      1.11543230     -0.93906279     -0.51165391
+H      1.05120150      0.62144833     -1.36977719
+H      0.93975784      0.57663712      0.40872317
+H      3.40897638     -0.25291826     -1.24758254
+H      3.29705649     -0.29930237      0.53730582
+H      5.27518958      0.94307852     -0.23349232
+H      3.25411987      4.08149123     -0.18444930
+H      4.57856509      4.96988282     -0.98228726
+H      4.50691553      4.90441422      0.78249022
+H      7.19160177      2.29030007     -0.07378463
+H      6.94509988      3.78329752      0.86468647
+H      7.03558203      3.85989308     -0.89951803 
+
+17
+-1733.4253898050115 13.531394 13.79184 -7.9004 -5.9998 -8.295 1.1688 -0.4039 0.253 7.84303 0.29465 4.9431854354 4.9431854354 0.743368427
+C      1.13727796      3.04763687      0.42651744
+C      2.64119635      3.22836976      0.39774737
+O      3.23451806      1.96869597      0.02310573
+C      4.58909329      1.92420417     -0.04423680
+C      5.47923257      2.91612376      0.19753259
+C      6.90611141      2.69874953      0.08292739
+C      7.85570299      3.62814359      0.31274090
+H      0.65551574      3.99548591      0.70283332
+H      0.84847444      2.28531833      1.16250123
+H      0.76032114      2.74226008     -0.55881800
+H      3.02946162      3.52694603      1.38718856
+H      2.94117071      3.99691438     -0.33608217
+H      4.91831329      0.92367524     -0.33690452
+H      5.14283149      3.91343315      0.48932869
+H      7.21898346      1.69103593     -0.21485997
+H      7.59705629      4.64642860      0.61234569
+H      8.91451918      3.39366868      0.20782257 
+
+15
+-1575.50316886761 12.760017 13.46076 -8.353 -6.314 -8.502 1.1459 -0.4264 0.461 8.13104 0.07519 4.0812967564 11.2782749026 0.463866484
+C      1.30097057      0.34948579     -0.67973020
+C      2.54813279     -0.43936789     -0.33888826
+O      3.67581070      0.45985716     -0.40615591
+C      4.89503182     -0.05538869     -0.13211203
+C      5.20064152     -1.33391436      0.20393351
+C      6.53016769     -1.73853017      0.46596363
+C      7.66273530     -2.12290448      0.70062563
+H      0.42334130     -0.30975170     -0.63661259
+H      1.36797246      0.77025161     -1.69181548
+H      1.15093566      1.17206977      0.03208295
+H      2.70979541     -1.26695544     -1.05137088
+H      2.49197409     -0.86411032      0.67848725
+H      5.66728610      0.71177353     -0.21302836
+H      4.42333190     -2.09624509      0.28298631
+H      8.66016270     -2.45625973      0.89886444 
+
+19
+-1875.926878154493 12.403056 13.63375 -8.543 -6.4939 -9.087 0.9292 0.03 1.347 8.47052 -0.75998 6.2065159852 6.2065159852 0.348917248
+C      4.21043502      0.10575343      0.52825684
+C      5.48172410      0.81111039      0.09782744
+O      5.26012870      2.22653637      0.19648336
+C      6.29318529      3.05149697     -0.17020232
+C      7.50302181      2.64440836     -0.60031238
+C      5.88451581      4.49442875     -0.03173678
+C      4.73848980      4.89647441     -0.97147475
+H      4.34893500     -0.98249494      0.46559640
+H      3.36874245      0.38472958     -0.12030951
+H      3.95123914      0.36217696      1.56450057
+H      5.74735231      0.55728724     -0.94404781
+H      6.33337368      0.53142110      0.74369444
+H      7.78485748      1.59868980     -0.69928989
+H      8.24861592      3.39160557     -0.86391051
+H      6.76821091      5.12116476     -0.21734302
+H      5.57763146      4.66892090      1.01347906
+H      5.02927799      4.76237564     -2.02357206
+H      4.46769980      5.95137219     -0.82353459
+H      3.84543331      4.28532251     -0.78436451 
+
+17
+-1733.3062917950106 12.853712 13.25203 -8.4014 -6.4283 -8.536 0.8066 -0.7548 0.304 7.9763 0.18843 5.2113423562 5.2113423562 0.705635321
+C      2.89288298     -0.15219549      0.66541642
+C      4.21317453      0.19592356      0.00685451
+O      4.35245350      1.62541131      0.02523647
+C      5.49300523      2.14986428     -0.51796758
+C      6.49955701      1.43295121     -1.07271931
+C      5.53791433      3.61273867     -0.44748866
+C      4.58105032      4.39318437      0.08051928
+H      2.75663744     -1.24237513      0.67272035
+H      2.05211661      0.29803932      0.12022366
+H      2.86764471      0.20648554      1.70334506
+H      4.24481120     -0.15922456     -1.03894711
+H      5.06189615     -0.25903668      0.54817999
+H      6.49903031      0.34862140     -1.14355497
+H      7.36050890      1.96373918     -1.47308473
+H      6.44025469      4.06059527     -0.87082510
+H      3.67359677      3.96550378      0.50715529
+H      4.68930532      5.47751397      0.09466643 
+
+15
+-1571.892156838059 12.261645 13.09831 -8.7181 -6.698 -8.811 0.91 -0.7006 0.47 8.30084 0.02745 4.193020541 11.170146712 0.647484828
+C      2.36724999     -0.40962466      1.68349040
+C      2.69822474     -0.48107623      0.20631401
+O      3.84280686      0.35870395     -0.02911400
+C      4.29664137      0.42154044     -1.32262442
+C      3.77364540     -0.22357483     -2.39025777
+C      5.43460901      1.27886450     -1.43831497
+C      6.40154354      2.00719469     -1.54097163
+H      1.49709845     -1.04493116      1.89884766
+H      2.12730431      0.61973839      1.98145618
+H      3.21198436     -0.76105271      2.29086514
+H      1.85483693     -0.12556494     -0.41234923
+H      2.93801071     -1.51435030     -0.10240588
+H      2.90908634     -0.87833304     -2.31842876
+H      4.23425080     -0.08432245     -3.36459765
+H      7.25380720      2.64921834     -1.63106908 
+
+21
+-2013.3077228317227 12.444609 14.01472 -9.3576 -7.2744 -11.371 0.9644 0.071 3.086 10.63902 -2.79063 9.1682191616 10.506263675 0.098269059
+C      8.44102400      0.12853886     -1.37578208
+C      7.03423347      0.41825378     -0.88349414
+O      7.12338249      1.05971974      0.38758766
+C      5.85906096      1.48583272      0.92501282
+C      5.06914254      0.31329340      1.51012784
+C      6.15907634      2.55498792      1.97771424
+C      6.82398772      3.81030328      1.41262967
+H      8.40493836     -0.36542531     -2.35697847
+H      8.96824380     -0.53255765     -0.67407111
+H      9.01822833      1.05836925     -1.47435234
+H      6.45716200     -0.52412165     -0.81160989
+H      6.49923649      1.07796656     -1.59700434
+H      5.27008517      1.94955735      0.10422581
+H      5.62991137     -0.14584577      2.33755320
+H      4.86968552     -0.46116639      0.75710156
+H      4.09872959      0.65774836      1.89591120
+H      6.80266453      2.09884529      2.74902675
+H      5.21107776      2.81886725      2.47436299
+H      7.77192514      3.55932915      0.91791504
+H      7.03551483      4.53833628      2.20864721
+H      6.17565958      4.30449757      0.67228638 
+
+19
+-1876.1221673836687 12.518418 13.86931 -8.1818 -6.1219 -8.671 0.9037 0.0287 1.404 8.13849 -0.78099 5.906135103 5.906135103 0.335364156
+C      1.39088331      0.52882898      0.30561981
+C      2.52588612      1.53552127      0.28714831
+O      3.71717632      0.84595090     -0.10993825
+C      4.88883074      1.57161826     -0.20142164
+C      5.99109693      0.64734674     -0.62666687
+C      4.99066251      2.89232121      0.05632562
+C      6.23615461      3.72664123     -0.03121839
+H      0.45927109      1.02115301      0.61748645
+H      1.60430148     -0.28689364      1.00989418
+H      1.23657575      0.09496274     -0.69177930
+H      2.67479161      1.98468276      1.28629263
+H      2.31796381      2.35499327     -0.42514934
+H      5.75031699      0.19309513     -1.59956751
+H      6.09518621     -0.17423689      0.09767394
+H      6.95306117      1.16208616     -0.71106539
+H      4.09257122      3.43357656      0.35975248
+H      7.11737817      3.15250578     -0.34357082
+H      6.47422249      4.19121008      0.93988779
+H      6.11148946      4.55297646     -0.75050371 
+
+21
+-2013.6702625580838 12.363312 13.77609 -9.248 -7.2309 -11.314 0.9065 -0.0098 2.89 10.57453 -2.55533 8.9838519796 11.567149884 0.136587145
+C      2.21352345      0.74498313      0.08467960
+C      3.43187960      1.46701589      0.63622807
+O      4.55395272      1.08859650     -0.16079540
+C      5.84583898      1.65887931      0.18522010
+C      6.27559444      1.23732915      1.59848674
+C      6.78869110      1.04942964     -0.85613941
+C      5.82887900      3.18907120      0.05156204
+H      1.31992721      1.00641991      0.66896534
+H      2.35455125     -0.34382311      0.13118082
+H      2.03910201      1.02473980     -0.96358746
+H      3.58609826      1.18860901      1.69587232
+H      3.26969993      2.56083356      0.59865997
+H      5.64220626      1.68944798      2.37483524
+H      7.30970270      1.55742320      1.79153235
+H      6.22819390      0.14358588      1.70087302
+H      6.46458395      1.32695610     -1.86879723
+H      6.77868682     -0.04679531     -0.78048402
+H      7.81772649      1.40403441     -0.70553366
+H      5.46363246      3.48072292     -0.94370657
+H      6.84419428      3.59184312      0.17808881
+H      5.19121518      3.66294772      0.81125934 
+
+19
+-1868.2121367381762 12.440243 13.62103 -9.4565 -7.4027 -9.694 1.5099 -0.0957 1.238 9.13639 -0.67126 6.7035014676 6.7035014676 0.419027871
+C      0.84032270      1.48645736     -0.32055217
+C      2.21375976      1.63731587      0.30590799
+O      3.19288120      1.21923011     -0.65112772
+C      4.54571085      1.31746166     -0.16722921
+C      5.41336894      0.53150986     -1.14561033
+C      4.97889832      2.75813664     -0.06721575
+C      5.39453692      3.35749665      1.05348631
+H      0.06277836      1.78297500      0.39764691
+H      0.65870911      0.44457786     -0.61905986
+H      0.74849356      2.12222878     -1.21213052
+H      2.29978808      1.01199149      1.21837558
+H      2.39260149      2.68609931      0.60817117
+H      4.60509083      0.85184650      0.83899907
+H      5.35162793      0.97430306     -2.15004148
+H      5.06736497     -0.50921350     -1.20371960
+H      6.46259641      0.54310099     -0.82194099
+H      4.92897266      3.32106110     -1.00694597
+H      5.44556940      2.81736596      2.00305480
+H      5.70627851      4.40336530      1.06227177 
+
+17
+-1710.264809491319 11.916037 13.28031 -9.8059 -7.7087 -9.894 0.9846 0.0055 2.221 9.4714 -1.79806 4.3649147314 10.6172063478 0.561878546
+C      2.71710930      0.86093637     -3.25663969
+C      2.96309330      1.45450838     -1.88298425
+O      4.11935143      0.82081213     -1.32006497
+C      4.42618717      1.27242033      0.00477154
+C      5.52451133      0.36063270      0.55073478
+C      4.83081541      2.68713523      0.02943248
+C      5.16824482      3.85334988      0.04759620
+H      1.83312952      1.32699570     -3.71390547
+H      2.54405345     -0.22203474     -3.19111720
+H      3.57950036      1.03530686     -3.91438987
+H      2.09093783      1.28621615     -1.21918421
+H      3.12769601      2.54571225     -1.94909331
+H      3.51927714      1.17065005      0.63816398
+H      6.42317445      0.44151109     -0.07410233
+H      5.17381703     -0.67940144      0.54101108
+H      5.78095825      0.64654394      1.57854240
+H      5.46716319      4.88169513      0.06191885 
+
+19
+-1868.7308989521036 12.841508 14.43361 -9.3097 -7.1136 -9.183 1.0865 0.1159 1.414 8.65147 -0.80001 6.396623719 6.396623719 0.411773293
+C      1.06075169      1.68046723     -1.06477106
+C      2.36917898      1.08754220     -0.57625478
+O      3.30532178      2.14483490     -0.37352344
+C      4.57216400      1.65554201      0.07788528
+C      5.53394584      2.79435980      0.19385541
+C      6.20300043      3.10149452      1.31277834
+C      7.20273631      4.20755905      1.44778590
+H      0.32057060      0.88394843     -1.22514285
+H      1.20647708      2.21554165     -2.01330496
+H      0.65591622      2.38750356     -0.32764957
+H      2.77185376      0.36427096     -1.31534062
+H      2.21561422      0.53352390      0.37265455
+H      4.95232269      0.90757567     -0.65098291
+H      4.46310496      1.13954068      1.05325773
+H      5.68958463      3.38594494     -0.71547609
+H      6.01733919      2.49966179      2.21134785
+H      7.32032962      4.76463048      0.50817494
+H      8.19050523      3.81742083      1.74190018
+H      6.90161275      4.91754738      2.23460611 
+
+21
+-2012.477550890025 12.560506 14.23737 -9.5087 -7.3451 -11.51 0.9608 0.0532 3.082 10.78032 -2.81478 9.3108898518 11.505404856 0.12538628
+C      1.44540032      0.26449553     -0.48584463
+C      2.94603914      0.26617995     -0.26117436
+O      3.38524813      1.61158728     -0.09206825
+C      4.79120952      1.69608768      0.11896082
+C      5.20786123      3.15871535      0.26781867
+C      6.69479050      3.24030495      0.63078576
+C      4.89048033      3.96457306     -0.99618720
+H      1.08304336     -0.76456890     -0.61764907
+H      1.18670861      0.84150442     -1.38451192
+H      0.92373157      0.70927042      0.37284536
+H      3.47089174     -0.19438010     -1.12322574
+H      3.20755680     -0.33035648      0.63704678
+H      5.33204198      1.23598449     -0.73679528
+H      5.07058372      1.12670347      1.02991313
+H      4.61916461      3.57576868      1.10433787
+H      7.32125387      2.82096516     -0.17306912
+H      6.91912745      2.68860692      1.55610780
+H      7.00364940      4.28498894      0.77894671
+H      5.46940659      3.58547794     -1.85452218
+H      5.14779091      5.02544855     -0.86100408
+H      3.82426021      3.89629270     -1.24904109 
+
+19
+-1868.8670769005553 12.5785 13.82718 -9.4298 -7.2075 -9.255 1.1114 -0.0559 1.433 8.64023 -0.81351 6.4722923748 6.4722923748 0.433782476
+C      1.53625003      0.49906160     -1.02842376
+C      2.96683464      0.66878676     -0.55258531
+O      3.21776801      2.05735567     -0.34356329
+C      4.55199521      2.29770259      0.10788735
+C      4.78883578      3.78097468      0.23155375
+C      4.51574899      4.60100610     -0.99817750
+C      5.24800125      4.30497090      1.37724745
+H      1.31619453     -0.56445719     -1.19616454
+H      1.37355303      1.04022520     -1.97082588
+H      0.83065375      0.88634602     -0.28059216
+H      3.68059503      0.26726933     -1.30122597
+H      3.13354267      0.10996746      0.39106370
+H      5.26933281      1.86840811     -0.62602957
+H      4.72857397      1.79599892      1.07922445
+H      5.12916686      4.25267039     -1.84556475
+H      4.72730078      5.66434869     -0.82754649
+H      3.46532240      4.49123531     -1.30554567
+H      5.42213989      3.68328230      2.25783865
+H      5.46892038      5.37040715      1.46775955 
+
+17
+-1713.6709304802002 12.489575 14.61013 -9.3992 -7.1079 -9.23 0.909 0.0019 2.473 9.02107 -1.999 4.187317185 12.6290775754 0.493266699
+C      0.92614970      0.06061297     -0.12724367
+C      2.44040171      0.01145690     -0.06225865
+O      2.93922764      1.34988641     -0.06210510
+C      4.36876659      1.36690450      0.00036131
+C      4.86381596      2.73479214      0.00040073
+C      5.30869316      3.86549226      0.00139615
+C      5.82383987      5.22553003      0.00217269
+H      0.51482627     -0.95836227     -0.12874214
+H      0.59389631      0.57157226     -1.04117640
+H      0.51848714      0.59942089      0.73892347
+H      2.85267132     -0.54362656     -0.93001014
+H      2.77695914     -0.51555805      0.85427540
+H      4.79176275      0.81372480     -0.86449375
+H      4.71345689      0.84196462      0.91607360
+H      5.03540867      5.93926139     -0.27958554
+H      6.64910919      5.33907075     -0.71644318
+H      6.19736770      5.51276696      0.99630526 
+
+19
+-1866.6469515249955 12.599565 13.93497 -9.6061 -7.3252 -9.442 1.1579 -0.0034 1.455 8.90267 -0.90182 6.6862922108 6.6862922108 0.467031214
+C      2.03110444      4.15345779     -0.49444638
+C      2.60549575      2.76576053     -0.28084769
+O      3.98668045      2.77878983     -0.63811892
+C      4.59568734      1.50105144     -0.47814644
+C      6.05924284      1.58868771     -0.91082756
+C      6.23375867      1.89404450     -2.37060401
+C      6.91602205      1.13389153     -3.23467507
+H      0.96579721      4.16781272     -0.22500673
+H      2.12667379      4.45547277     -1.54655395
+H      2.55611203      4.89195349      0.12691164
+H      2.06586122      2.01929354     -0.89856116
+H      2.49563472      2.45525034      0.77864833
+H      4.06032445      0.74507511     -1.08810865
+H      4.53488468      1.18153328      0.58239795
+H      6.55596559      0.63781555     -0.66031474
+H      6.53866720      2.37779988     -0.30556893
+H      5.75085595      2.81066832     -2.72417004
+H      7.41104797      0.21118273     -2.91881186
+H      7.00761363      1.40814896     -4.28679578 
+
+17
+-1710.9168822797226 12.116496 13.83848 -9.7759 -7.5905 -9.892 0.9685 0.0409 2.292 9.51135 -1.92658 4.3734573668 10.5660373256 0.707580869
+C      0.78040928      1.98558250      0.66803865
+C      2.05947592      1.18703973      0.50407227
+O      3.09917848      2.06897927      0.07680057
+C      4.33615600      1.39261147     -0.09887212
+C      5.37227583      2.42751853     -0.55137027
+C      6.68637673      1.83607817     -0.76055358
+C      7.77010830      1.31573150     -0.92887227
+H     -0.03575588      1.32772423      0.99736283
+H      0.48850915      2.45147040     -0.28314154
+H      0.91076456      2.77878969      1.41691905
+H      1.92470429      0.37919633     -0.24298418
+H      2.34736765      0.70666080      1.46075860
+H      4.24251407      0.59319691     -0.85969117
+H      4.66293408      0.91908719      0.84753278
+H      5.43289370      3.22471556      0.20706163
+H      5.01890784      2.90148130     -1.48136103
+H      8.72944000      0.86458641     -1.07933024 
+
+19
+-1818.757608896781 11.315767 12.63582 -9.7968 -7.4513 -11.665 0.8754 -0.0673 2.999 11.01661 -2.76733 9.3525987422 12.2820655586 0.160528129
+C      0.79432051      0.93040611     -0.09614610
+C      2.25860338      0.61171390     -0.32698501
+O      3.04145799      1.76749326     -0.01229838
+C      4.44438939      1.55099154     -0.21829265
+C      5.20446866      2.83167804      0.09891565
+C      4.80707539      4.01372348     -0.78827777
+O      3.49881352      4.51271268     -0.50989694
+H      0.17850668      0.04713224     -0.31509241
+H      0.46375095      1.75015811     -0.74906437
+H      0.61966185      1.22435665      0.94785493
+H      2.43749902      0.31758122     -1.38028116
+H      2.58390146     -0.23257842      0.31268280
+H      4.61879220      1.25300113     -1.27296512
+H      4.78858693      0.71817704      0.42621900
+H      6.27936427      2.62370731     -0.03373075
+H      5.05029407      3.10292526      1.15587398
+H      4.90045751      3.71772116     -1.85469182
+H      5.49846721      4.85469922     -0.62377553
+H      2.93060899      3.72242008     -0.40823836 
+
+13
+-1408.4807087401298 12.392966 11.96833 -9.109 -7.1969 -9.707 0.0548 -1.6493 -0.955 9.53883 1.53468 3.4371026962 4.9473265678 0.625868598
+C      2.18303168      3.12720508     -0.85087750
+C      3.23045372      2.31588310     -0.71091954
+O      4.47295160      2.81809903     -0.35998318
+C      5.49883009      1.94558923     -0.23404301
+C      6.74419350      2.34385772      0.10178078
+C      7.80128991      1.34937188      0.21922373
+O      8.96531857      1.59551390      0.51685103
+H      1.21811134      2.70955173     -1.12704516
+H      2.27006589      4.20157937     -0.69514163
+H      3.19474774      1.23251644     -0.85607814
+H      5.26060091      0.89139831     -0.42127913
+H      6.98062395      3.39243666      0.28767714
+H      7.47512110      0.29502755      0.01237460 
+
+13
+-1403.0758622480275 11.040642 11.25874 -9.1931 -7.1631 -9.672 -0.3572 -2.176 -0.925 9.88493 1.49215 3.418479999 6.3273031464 0.418525886
+C      3.59635319     -0.64031387      0.15827712
+C      4.70795947     -0.04854391     -0.28131535
+O      4.91532295      1.30522608     -0.10726911
+C      6.21533921      1.75719014     -0.02342546
+C      7.31313424      1.02720056      0.24210986
+C      6.26293168      3.23171034     -0.25155647
+O      7.28168469      3.89908978     -0.22472261
+H      3.42560028     -1.69102342     -0.06520492
+H      2.84607963     -0.09256604      0.72724126
+H      5.49206823     -0.56048235     -0.84704951
+H      7.28774157     -0.03802350      0.45980012
+H      8.26700835      1.55202591      0.25671432
+H      5.26111651      3.68418026     -0.45416926 
+
+15
+-1545.0498619089271 10.673536 11.62115 -9.0627 -6.8792 -9.595 1.0412 -1.0541 -0.135 10.22475 0.74448 3.6798548856 12.5332363974 0.363602857
+C      2.09199815      0.00434690      0.45596588
+C      2.08414135      1.22888838     -0.09181761
+O      3.11170610      2.12425011     -0.17521776
+C      4.36263635      1.69975907      0.38699400
+C      5.35492417      2.82779032      0.17261108
+C      6.72797609      2.55265065      0.72552887
+O      7.05556315      1.53451049      1.30802075
+H      1.17408480     -0.57916660      0.43193396
+H      2.96502007     -0.44378548      0.92617854
+H      1.19153209      1.65324769     -0.55638527
+H      4.70237808      0.77477428     -0.10825926
+H      4.23918702      1.48093956      1.46076654
+H      4.99094311      3.76502837      0.63049334
+H      5.46454017      3.05971495     -0.90184383
+H      7.46534929      3.38028131      0.56062078 
+
+17
+-1700.2557908639862 10.560856 11.90342 -9.2556 -7.197 -10.646 1.3131 -0.5032 0.26 9.6618 0.46035 3.7649464774 8.0501382108 0.16649828
+C      0.87568550     -0.13060018      0.57842646
+C      2.27293308     -0.43148565      0.07039440
+O      2.53253971     -1.47854341     -0.50807912
+C      3.32148138      0.64413511      0.32253000
+C      4.76077466      0.21680112      0.03517723
+C      5.32843281     -0.74150368      1.07378998
+O      5.34229970     -0.06933303      2.34801098
+H      0.86357279     -0.24720170      1.67372777
+H      0.15491284     -0.82847623      0.13828964
+H      0.58436932      0.90827960      0.36689990
+H      3.22076210      1.00574825      1.35930776
+H      3.03961404      1.50423050     -0.31166219
+H      5.40350509      1.10990873     -0.00564176
+H      4.80901512     -0.27585031     -0.94758445
+H      6.35279366     -1.03297440      0.77819026
+H      4.71251902     -1.65654898      1.11893393
+H      5.65024919     -0.70377573      3.01548919 
+
+15
+-1558.3609275191127 11.007952 11.87021 -9.2425 -7.3162 -10.084 -0.0169 -1.6698 -0.52 9.34323 1.1594 3.5474130404 5.3467474668 0.376248854
+C      1.86482317     -0.96362506     -0.09771448
+C      3.22866986     -0.36329622      0.17989569
+O      4.15062408     -1.03648642      0.63410182
+C      3.37752551      1.08761298     -0.13302223
+C      4.53019337      1.73572463      0.10570803
+C      4.80120950      3.17811921     -0.17359001
+O      3.74949935      3.89442781     -0.81152110
+H      1.08831036     -0.42158101      0.46379810
+H      1.85575125     -2.02287632      0.18019217
+H      1.61508339     -0.85785636     -1.16531357
+H      2.51547159      1.62129271     -0.54321894
+H      5.35703990      1.16045389      0.53970079
+H      5.74923157      3.25634725     -0.74389297
+H      4.98705794      3.69996675      0.78178094
+H      3.63786915      3.52367617     -1.70526425 
+
+13
+-1425.335781648269 10.721568 11.15093 -9.7697 -7.8206 -10.897 -1.3864 -3.1615 -1.837 10.3518 2.09468 3.2387746906 5.0763092036 0.512980547
+C      2.22203998     -0.98648731     -0.44924583
+C      3.50936326     -0.30630747     -0.04395196
+O      4.48328387     -0.92755223      0.36808936
+C      3.53209535      1.18670871     -0.17424333
+C      4.61636739      1.91400269      0.15643078
+C      4.64748234      3.39129554      0.02757976
+O      3.70343177      4.07251295     -0.34827476
+H      1.38311616     -0.59224538      0.14482849
+H      2.30375760     -2.06895416     -0.30759313
+H      1.99289331     -0.76180098     -1.50262966
+H      2.64111734      1.69990290     -0.54885118
+H      5.51079185      1.40548267      0.52878530
+H      5.61874979      3.86960205      0.30272617 
+
+15
+-1558.6086789783024 10.62917 11.3038 -9.6575 -7.6008 -10.4 -0.3864 -2.0849 -0.889 9.63012 1.48238 3.442347304 5.4490235182 0.407205199
+C      1.01717550      0.11088157     -0.20123671
+C      2.53032268      0.17241709     -0.19944506
+O      3.19628373     -0.83571043     -0.45265461
+C      3.22973036      1.45967176      0.10875069
+C      2.55707431      2.60943975      0.29551066
+C      4.74110445      1.38005980      0.20399904
+O      5.35091547      0.88437216     -0.98583634
+H      0.60111213      0.78923494     -0.96016293
+H      0.60789043      0.41540304      0.77250420
+H      0.70779904     -0.91494314     -0.42583098
+H      1.46881179      2.66674524      0.24787684
+H      3.08687208      3.54154134      0.50330285
+H      5.00694560      0.75064757      1.07564183
+H      5.15359209      2.38396147      0.37857298
+H      4.97989033     -0.01543217     -1.09471244 
+
+13
+-1425.1000890529303 10.086591 10.69365 -9.4653 -7.4006 -10.718 -0.9678 -2.7365 -1.518 10.46474 2.07624 3.3361780922 5.4976508274 0.427101017
+C      1.01032822      0.10224768     -0.05905056
+C      2.52525013      0.07943566     -0.02719464
+O      3.14649182     -0.97968325     -0.04728860
+C      3.26975740      1.38188696      0.03417597
+C      2.66981404      2.58678258      0.09018898
+C      4.77308288      1.31524515      0.03881099
+O      5.48661870      2.30509495      0.07833171
+H      0.64095285      0.69218165     -0.91010667
+H      0.61010590      0.55998426      0.85770328
+H      0.64401880     -0.92627559     -0.13946575
+H      1.58671826      2.70589993      0.09106355
+H      3.28878945      3.48606720      0.13815995
+H      5.19417153      0.28764281      0.00170180 
+
+17
+-1702.4531966741274 10.524432 11.66223 -9.0841 -7.0302 -10.558 1.0655 -0.6991 0.176 9.67718 0.56216 3.7556847232 7.9667948216 0.133068141
+C      2.52461272     -1.04865964      0.78554150
+C      2.01410292      0.36445686      0.60968339
+O      0.82231342      0.63545196      0.64534946
+C      3.06548279      1.47870294      0.33796748
+C      3.11121216      1.69016353     -1.18109142
+C      2.67684889      2.76273736      1.07263679
+O      4.39105608      1.04901835      0.71250866
+H      3.30397668     -1.28659761      0.04943716
+H      1.68431143     -1.74798926      0.71897758
+H      3.00056323     -1.15000132      1.77327023
+H      3.43002014      0.77119499     -1.69221415
+H      3.83724055      2.48139606     -1.41392535
+H      2.12183089      1.98077286     -1.55584105
+H      2.70384652      2.61336919      2.16386882
+H      1.65512271      3.06167297      0.80821448
+H      3.37656784      3.56768430      0.81020835
+H      4.47895103      1.16469647      1.67497807 
+
+13
+-1398.659058990462 10.859398 12.13366 -9.729 -7.8203 -10.436 -0.0112 -1.7946 -0.537 9.58387 1.17704 3.563543619 10.1104879644 0.292911303
+C      0.96507430      0.00266888      0.02136963
+C      2.46711479     -0.06517504      0.18574385
+O      3.07558385     -1.11025878      0.39644972
+C      3.17205753      1.19825347      0.08237163
+C      3.77388946      2.25797069      0.01458338
+C      4.49791319      3.51665970     -0.10075044
+O      3.66788397      4.65598535     -0.34812194
+H      0.53382078      0.66842035      0.78318352
+H      0.54033314     -1.00277530      0.11478918
+H      0.71174511      0.43128501     -0.95939328
+H      5.27882866      3.40587528     -0.87746995
+H      5.02013350      3.72496878      0.84606229
+H      3.13286171      4.46526161     -1.13933760 
+
+11
+-1263.4680936102534 10.575401 11.50364 -10.1995 -8.2894 -11.08 -0.7354 -2.6286 -1.239 10.25961 1.81099 3.5207808476 6.0439331434 0.559746423
+C      1.01371438     -0.03181093     -0.13325103
+C      2.43362438     -0.00344489      0.37102919
+O      2.98873656     -0.94219190      0.92951977
+C      3.16343014      1.23908181      0.16678875
+C      3.79913563      2.27658956      0.03853410
+C      4.57168120      3.47756895     -0.15243417
+O      4.52332663      4.44106128      0.59861320
+H      0.42680853      0.75922460      0.35650936
+H      0.57205074     -1.01297758      0.07201273
+H      0.99306090      0.17587427     -1.21329087
+H      5.22779092      3.46031484     -1.05456102 
+
+15
+-1575.4423465930067 10.194804 11.09218 -9.439 -7.4582 -10.866 0.3453 -1.4602 -0.726 10.00398 1.07417 3.6382203868 12.2061489308 0.175217811
+C      2.67494314     -1.30699860     -1.24834886
+C      2.55665573     -0.43616595     -0.02214177
+O      1.97735309     -0.78330892      0.99553478
+C      3.26326555      0.92712403     -0.10034021
+C      4.71162251      0.73421734      0.37829064
+C      4.94028267      0.90584715      1.85962742
+O      5.59418411      0.42225773     -0.40644042
+H      2.09743882     -0.85772684     -2.07112989
+H      2.29624695     -2.31333472     -1.04106287
+H      3.72256327     -1.34250794     -1.58321379
+H      2.72615606      1.62545181      0.55311693
+H      3.29382814      1.29105141     -1.13476693
+H      4.80565678      1.96519282      2.12831364
+H      5.95101198      0.58386581      2.13106699
+H      4.18328121      0.34056486      2.42371435 
+
+15
+-1570.1516892293146 10.066594 11.10473 -9.437 -7.3877 -10.684 1.1869 -0.8865 -0.099 10.2015 0.70319 3.6979692402 11.5115545616 0.220724705
+C      1.68537794     -1.65907415      0.81448653
+C      3.03658676     -1.06338055      1.13501031
+O      3.61168270     -1.27581238      2.19271541
+C      3.64565992     -0.15490407      0.06506117
+C      5.16340141     -0.08098463      0.15357973
+C      5.85208760     -1.32009676     -0.36239647
+O      5.27859074     -2.29278807     -0.81832336
+H      1.00507541     -0.90124962      0.39822549
+H      1.24821226     -2.11787540      1.70806661
+H      1.82131481     -2.42841767      0.03810456
+H      3.20585433      0.84529102      0.22073915
+H      3.32187425     -0.49038262     -0.93118427
+H      5.48306495      0.05159536      1.20251027
+H      5.57437525      0.78234026     -0.39772877
+H      6.97038167     -1.29385072     -0.30189636 
+
+19
+-1825.6077896101865 11.203641 12.72088 -10.0016 -7.7323 -11.828 0.8914 -0.1152 2.821 11.47458 -2.58483 9.7066035694 9.7066035694 0.102197853
+C      0.90603496     -0.31219445     -0.10728586
+C      2.40345853     -0.48018048     -0.35283390
+O      2.65262503     -1.13990955     -1.61177825
+C      3.16383137      0.84771856     -0.25541080
+C      4.68356520      0.69448328     -0.34674662
+C      5.42884837      2.02424075     -0.44923199
+O      5.12017366      2.76152044     -1.64236174
+H      0.71183129      0.08713915      0.89916065
+H      0.39105535     -1.27750405     -0.20485969
+H      0.46753885      0.39070672     -0.83483652
+H      2.81297126     -1.18372660      0.39293895
+H      2.23647072     -0.59632737     -2.30620057
+H      2.89917432      1.34041459      0.69650056
+H      2.81289952      1.51998983     -1.05857079
+H      4.93529772      0.06504065     -1.21780997
+H      5.05929976      0.15430767      0.54037168
+H      6.51804337      1.85185622     -0.36949081
+H      5.14185645      2.69172217      0.37879140
+H      5.43637430      2.23535244     -2.39823573 
+
+15
+-1552.4724463619602 10.622465 11.26472 -9.7686 -7.6011 -9.873 0.362 -1.4862 -0.363 9.37626 1.02782 3.707429372 6.6999058736 0.233880796
+C      0.91326721      0.18820953     -0.01631119
+C      2.45628925      0.16684959     -0.04971358
+O      2.95454928     -0.64110150      0.99702776
+C      2.95059507     -0.28950098     -1.41447398
+C      3.82260911     -1.28516719     -1.59548488
+C      2.96739056      1.59633752      0.14183033
+O      3.68893776      1.89977685      1.07561364
+H      0.49833109      0.80118387     -0.82902556
+H      0.56085668      0.57947570      0.94742041
+H      0.54975948     -0.84083096     -0.13467491
+H      3.51733634     -0.04057145      1.53668933
+H      2.53386012      0.24884396     -2.27210177
+H      4.22779580     -1.82919094     -0.74139204
+H      4.13403896     -1.58321412     -2.59691005
+H      2.64587328      2.34619012     -0.61893352 
+
+17
+-1682.6698415260303 11.419688 12.51979 -9.6647 -7.4666 -9.451 0.9984 -0.343 1.092 8.92608 -0.47337 6.3446983822 6.3446983822 0.390582659
+C      1.78169329     -0.44933221     -1.13604481
+C      2.87915541     -0.14853077     -0.10769774
+O      4.03957987     -0.95713124     -0.32467670
+C      3.18204300      1.32887906     -0.04314290
+C      4.40194937      1.88003428     -0.10726388
+C      4.65694147      3.35547112     -0.04692831
+O      5.51425236      3.71689679      1.05004502
+H      0.85841842      0.10115977     -0.90349877
+H      1.55755817     -1.52408890     -1.14055311
+H      2.10555928     -0.15089588     -2.14544794
+H      2.51491740     -0.46595925      0.88694205
+H      4.38634223     -0.73342418     -1.20863490
+H      2.30454422      1.98152102      0.05039046
+H      5.28572359      1.23602104     -0.16893760
+H      3.69936649      3.90829613     -0.00557101
+H      5.19698505      3.69359291     -0.94570960
+H      5.11981038      3.33523029      1.85490973 
+
+15
+-1554.4842436152674 11.230462 11.79318 -9.6326 -7.5889 -10.408 -0.2922 -2.0415 -0.957 9.67215 1.52815 3.4235758236 5.4499782104 0.587643909
+C      0.86723768     -0.38597227      0.04024522
+C      2.32899573      0.04485662      0.00668726
+O      3.14422565     -0.87263037     -0.75417322
+C      2.58312405      1.44258952     -0.48830521
+C      1.66744468      2.36476862     -0.84415214
+C      2.08670686      3.68042274     -1.34570106
+O      1.31753634      4.56945624     -1.68518677
+H      0.28075924      0.24587262      0.72226133
+H      0.80251066     -1.42393139      0.39000647
+H      0.41102237     -0.32802895     -0.95970378
+H      2.74568743     -0.02535702      1.02779594
+H      2.84264604     -0.82474465     -1.68057775
+H      3.64665035      1.69446288     -0.58494553
+H      0.59108743      2.18715778     -0.77735516
+H      3.19739549      3.82481762     -1.40254561 
+
+17
+-1682.3034073718215 11.018259 11.8935 -9.8733 -7.622 -9.768 0.9138 -0.572 1.031 9.15163 -0.39965 6.5600124698 6.5600124698 0.391407352
+C      0.87771987      0.02664643     -0.08577734
+C      2.39538435      0.14621098     -0.06830345
+O      2.97921246     -0.61070495     -1.17366078
+C      2.96434322      1.55574669     -0.05379894
+C      2.20880066      2.65960003     -0.14809112
+C      4.46933695      1.64473953      0.10042880
+O      5.19995896      1.10590867     -1.00749953
+H      0.43313251      0.47518753      0.81344067
+H      0.59975886     -1.03472103     -0.11826242
+H      0.44397505      0.52267105     -0.96750090
+H      2.78277043     -0.38099054      0.82145440
+H      2.64743200     -0.19950769     -1.99481832
+H      1.12103001      2.62341795     -0.22554169
+H      2.66640770      3.65101323     -0.13945021
+H      4.75896556      1.12943599      1.04067279
+H      4.77409071      2.69710289      0.19392500
+H      4.76922070      0.24949325     -1.21175696 
+
+15
+-1554.710268060506 10.709565 11.29935 -9.6754 -7.5799 -10.242 -0.2396 -2.0202 -0.995 9.89374 1.56755 3.4182816214 5.3040838842 0.449549811
+C      1.11856569     -0.41098853      0.36136386
+C      2.42578558      0.17219654     -0.17240132
+O      2.93923562     -0.76198710     -1.13311673
+C      2.20843701      1.55300066     -0.76696464
+C      2.09601801      1.79291027     -2.08674721
+C      2.11696731      2.70771323      0.15602960
+O      2.22018015      2.63850985      1.37299212
+H      0.68391811      0.25397375      1.11816212
+H      1.31142835     -1.39043117      0.81812294
+H      0.40091156     -0.53825189     -0.46126876
+H      3.12820141      0.28294368      0.67406136
+H      3.84678045     -0.48990061     -1.35636830
+H      2.16533838      0.98714530     -2.81868845
+H      1.93201444      2.80911019     -2.45270255
+H      1.94957794      3.69187584     -0.35373404 
+
+19
+-1827.0683197582396 11.069829 12.3051 -9.7009 -7.4327 -11.772 0.8382 -0.1296 2.542 11.41903 -2.24522 9.429445265 9.429445265 0.088596951
+C      1.08360562     -0.20698771      0.35604938
+C      2.59566266     -0.06935501      0.50067490
+O      3.25745974     -1.08277293     -0.30882887
+C      3.14349218      1.34096935      0.19623848
+C      2.49533140      2.40450465      1.09425071
+C      4.67421422      1.40045003      0.36013251
+O      5.40443543      0.62959138     -0.58856983
+H      0.54583168      0.41231649      1.08604359
+H      0.78994815     -1.25330242      0.51528933
+H      0.75537886      0.09898163     -0.65119441
+H      2.88759406     -0.33556709      1.53212409
+H      2.88951839     -1.01451951     -1.20971239
+H      2.91286781      1.57561710     -0.86093307
+H      2.64230275      2.16844653      2.16053967
+H      1.41628497      2.49826939      0.91567907
+H      2.94655465      3.38994107      0.90924306
+H      4.93058609      1.10224662      1.39969937
+H      5.00914096      2.44213595      0.23321547
+H      4.97578036     -0.25229554     -0.58080107 
+
+19
+-1831.3706672793815 10.993155 12.16781 -9.7442 -7.5795 -11.579 0.7885 -0.2187 2.492 11.20022 -2.17434 9.0900583872 12.2144311956 0.090910776
+C      0.90953329     -0.07884072     -0.01433838
+C      2.42082372      0.07982891      0.09264360
+O      3.10002660     -0.70364111     -0.91726756
+C      2.95750798      1.53945747      0.06575320
+C      2.54895373      2.29362856     -1.20991941
+C      2.52517345      2.30872534      1.31401371
+O      4.39505801      1.45554368      0.12786865
+H      0.39193436      0.45105676      0.79722081
+H      0.64293168     -1.14243556      0.04950278
+H      0.52824077      0.31483501     -0.96984158
+H      2.77317742     -0.35735494      1.04167451
+H      2.65878873     -0.52977253     -1.76888507
+H      2.87316654      1.75497715     -2.11379620
+H      3.04567928      3.27297486     -1.22009283
+H      1.46279585      2.45688451     -1.26916942
+H      2.76883831      1.74066513      2.22304550
+H      1.44899693      2.52783101      1.30556814
+H      3.06888027      3.26259766      1.35581573
+H      4.62885309      0.69845882     -0.44666619 
+
+17
+-1693.6216892088544 10.577087 11.72844 -9.4082 -7.2361 -10.874 1.0795 -0.8453 0.014 9.99832 0.63621 3.6603642864 8.0468277846 0.125082373
+C      1.33786745     -0.35034667     -0.08257715
+C      2.84300560     -0.15559484      0.07289019
+O      3.56571859     -0.93333131     -0.89792959
+C      3.27941586      1.33557596      0.02627298
+C      2.52397205      2.24784445      0.99225289
+C      4.78850740      1.43609998      0.21994306
+O      5.33786487      2.26732539      0.92147142
+H      0.77719956      0.11809720      0.73718072
+H      1.10740874     -1.42414406     -0.08654851
+H      0.98004227      0.08752144     -1.02931964
+H      3.15766216     -0.57653655      1.04358817
+H      3.17881750     -0.74498735     -1.77279013
+H      3.10583055      1.67381707     -1.01776689
+H      2.55312273      1.84441531      2.01568922
+H      1.47448150      2.37028738      0.69741697
+H      2.99841174      3.23671420      1.02478508
+H      5.38104144      0.67664242     -0.34428882 
+
+15
+-1524.5514879728348 11.182022 12.80047 -9.7534 -7.5186 -9.588 0.8296 -0.3699 2.103 9.14141 -1.70516 4.2059646794 9.8966121144 0.581670734
+C      0.96786143     -0.06473411      0.01820484
+C      2.50099113     -0.01836744     -0.03362613
+O      3.01909296     -0.74243359     -1.16838491
+C      2.99455713      1.35967394      0.00494619
+C      3.37021205      2.51653321     -0.01057988
+C      3.86944042      3.88272426     -0.00398368
+O      2.84987694      4.77998242     -0.47881213
+H      0.59634961      0.39577768      0.94399274
+H      0.63673399     -1.11045233     -0.02359301
+H      0.53751183      0.48223076     -0.83257006
+H      2.90450729     -0.56211247      0.83749353
+H      2.86560554     -0.18574547     -1.95394383
+H      4.77237261      3.93657849     -0.64213000
+H      4.17825499      4.14422916      1.02629375
+H      3.22526209      5.67748549     -0.45163743 
+
+13
+-1393.2342856317496 10.965788 12.05944 -10.1335 -8.0712 -10.505 -0.2848 -2.1652 -0.805 9.87903 1.40181 3.5409285726 10.3801947102 0.695570141
+C      0.95182755     -0.04099545     -0.09793296
+C      2.48253438     -0.01089985      0.02347162
+O      3.12730417     -0.81459559     -0.97633511
+C      2.98326324      1.36336628      0.03328959
+C      3.36819080      2.52242873      0.03347383
+C      3.86765169      3.87058631     -0.00347095
+O      3.58136191      4.73459559      0.81571367
+H      0.48394858      0.49731522      0.73698303
+H      0.61576698     -1.08540217     -0.08936779
+H      0.62816749      0.43132801     -1.03619175
+H      2.77312859     -0.48035921      0.97901494
+H      2.98501894     -0.38245650     -1.83863399
+H      4.55554569      4.08138862     -0.85731413 
+
+19
+-1829.4149016751412 11.093526 12.38789 -9.6992 -7.5152 -11.759 0.8013 -0.2011 2.668 11.45457 -2.39475 9.509602214 9.509602214 0.09432619
+C      1.00099233     -0.22940139      0.15542922
+C      2.52009219     -0.34441648      0.21730012
+O      2.99494917     -1.35756429     -0.71283479
+C      3.22336288      0.99922308     -0.00959483
+C      4.76252564      0.96895894      0.07232496
+C      5.29593977      0.52074266      1.43703359
+O      5.33328375      0.18782775     -0.98765519
+H      0.62555733      0.45143225      0.93295624
+H      0.53610285     -1.21384139      0.30144840
+H      0.67714374      0.16948067     -0.81994274
+H      2.80645665     -0.74886376      1.20116223
+H      2.62171339     -1.14095272     -1.58788372
+H      2.84058770      1.71911776      0.73390608
+H      2.93869472      1.38897786     -1.00312292
+H      5.11739525      1.99781264     -0.11115998
+H      5.01818900     -0.52036169      1.65840453
+H      4.91532154      1.16151016      2.24772909
+H      6.39244516      0.57794658      1.43635663
+H      4.81648694     -0.64538864     -1.00118692 
+
+17
+-1703.8109291101935 10.535268 11.72818 -9.5995 -7.5267 -10.716 0.8391 -0.9738 0.005 9.81089 0.73004 3.7240682932 8.0223653468 0.158492396
+C      3.75056437     -1.77036116     -0.16638921
+C      2.74497522     -0.62088372     -0.03925301
+O      2.02293318     -0.67462045      1.19323316
+C      3.39704293      0.76127078     -0.23998005
+C      4.38726857      1.16706212      0.84188722
+C      5.41268092      2.21327838      0.46867666
+O      4.34909390      0.68654183      1.97247170
+H      4.22917329     -1.77364445     -1.15819406
+H      3.22950499     -2.72740615     -0.03164376
+H      4.53594701     -1.69928505      0.60004892
+H      1.98114026     -0.74030842     -0.82591522
+H      2.67432115     -0.40991619      1.87778628
+H      2.60462839      1.53216331     -0.22868958
+H      3.87809157      0.83448595     -1.22892888
+H      6.13167436      1.77695857     -0.24299923
+H      5.94683509      2.55982963      1.35999454
+H      4.93556481      3.06031501     -0.04637549 
+
+17
+-1696.3953236261514 10.608499 11.72898 -9.8941 -7.7021 -11.116 0.9613 -1.0669 -0.141 10.20479 0.77441 3.712326819 11.8846408342 0.120743021
+C      1.23603222     -0.68183395      0.74587604
+C      2.73541624     -0.91705257      0.56285866
+O      2.98678261     -2.14212416     -0.14108677
+C      3.42031029      0.28476124     -0.10380194
+C      4.89973951      0.06279588     -0.42410185
+C      5.18860579     -0.64542519     -1.72236161
+O      4.35083489     -1.08437288     -2.49436628
+H      1.04327141      0.19701883      1.37998702
+H      0.77525620     -1.55931201      1.21824178
+H      0.74727622     -0.51957028     -0.22707494
+H      3.19291228     -1.06943021      1.55817906
+H      3.00092540     -1.93533156     -1.09687084
+H      3.31734449      1.15585552      0.56153280
+H      2.88389978      0.53417301     -1.03555784
+H      5.41170618     -0.51129439      0.37070140
+H      5.45215756      1.01901544     -0.47533015
+H      6.27722892     -0.73971272     -1.96716455 
+
+15
+-1543.8129924921839 10.525948 11.33505 -9.2245 -7.0749 -9.823 0.74 -1.264 -0.067 10.12424 0.71593 3.6586284824 6.3853161958 0.237793491
+C      1.49827989     -0.22812952      1.35348668
+C      2.66546873      0.49288157      0.68691194
+O      2.31514105      1.07618598     -0.58148373
+C      2.33387593      0.26718079     -1.68322082
+C      2.62560574     -1.03877705     -1.76787443
+C      3.19868175      1.64403634      1.53784890
+O      3.40295875      1.55626160      2.73120404
+H      1.80661275     -0.56335610      2.35208719
+H      1.17906611     -1.09461539      0.76269516
+H      0.64666103      0.45695001      1.46293239
+H      3.52051335     -0.19730816      0.54272949
+H      2.06959559      0.85619025     -2.56406172
+H      2.87596377     -1.66796530     -0.91572114
+H      2.61163859     -1.50590078     -2.75017194
+H      3.40797698      2.58005576      0.96089799 
+
+17
+-1678.9124542976117 11.499442 12.61539 -8.814 -6.7637 -9.287 0.8957 -0.0426 1.049 8.8207 -0.49594 6.107736339 6.107736339 0.32242274
+C      2.27173101      3.87374284      1.04432198
+C      3.73743088      3.54630816      0.84403616
+O      3.82117035      2.31680159      0.09655176
+C      5.06899230      1.85508564     -0.17906739
+C      6.26103198      2.38951501      0.15083856
+C      7.54127504      1.73528073     -0.26427472
+O      8.30221816      2.53304629     -1.19517244
+H      2.17418967      4.80572260      1.61786164
+H      1.76380291      3.07243531      1.59766378
+H      1.76456797      4.00715378      0.07929377
+H      4.25755318      3.41396793      1.80935621
+H      4.25580574      4.34444086      0.28353635
+H      5.00382755      0.91590902     -0.73694279
+H      6.33922153      3.32823728      0.70231027
+H      7.33481314      0.73160692     -0.68298350
+H      8.21570609      1.60039557      0.59540682
+H      7.68404249      2.79817046     -1.90019648 
+
+15
+-1554.6020627439116 11.446256 12.00369 -9.2006 -7.2057 -10.041 0.4606 -1.2835 -0.902 9.53167 1.48044 3.46354891 5.1388229448 0.53446524
+C      1.92041179     -0.63749679      0.02505913
+C      3.03525692      0.03389405     -0.74710373
+O      4.14153144      0.25517785      0.16818197
+C      5.24201561      0.83629229     -0.33040994
+C      5.48308826      1.25903289     -1.59726507
+C      6.76967383      1.86541791     -1.90398473
+O      7.10477683      2.28242828     -3.00899876
+H      1.06643973     -0.81285067     -0.64306170
+H      1.58304542     -0.00642091      0.85779552
+H      2.24798839     -1.60512209      0.42743274
+H      2.72072370      1.00864257     -1.15480246
+H      3.39169600     -0.59499729     -1.57928837
+H      6.00193984      0.95027457      0.44917197
+H      4.76233143      1.16989800     -2.40990884
+H      7.47391080      1.93371934     -1.03212772 
+
+17
+-1680.314111017406 11.222447 12.28121 -8.935 -6.8561 -9.396 0.8689 -0.0851 1.127 8.82679 -0.55973 6.276233313 6.276233313 0.347933442
+C      4.67320567      1.04021465     -1.97354492
+C      5.85962057      1.59260978     -1.20984001
+O      5.82581915      3.02782855     -1.30697121
+C      6.78892801      3.72739750     -0.62457213
+C      7.80408758      3.20241250      0.08271113
+C      6.54637048      5.20415573     -0.80043055
+O      5.24169398      5.61058162     -0.37285669
+H      4.68010849     -0.05740450     -1.92580130
+H      4.71196278      1.33946354     -3.02967035
+H      3.72761547      1.39678637     -1.54280671
+H      6.81278162      1.22748147     -1.63160550
+H      5.82378680      1.30496953     -0.14438093
+H      7.98799195      2.13369500      0.16911774
+H      8.48886519      3.87320368      0.59742039
+H      6.70522924      5.46613410     -1.86499191
+H      7.26709083      5.76967198     -0.19656365
+H      4.61065218      5.01171850     -0.81235340 
+
+15
+-1548.5935699799547 10.832277 11.67077 -9.2232 -7.2113 -10.015 -0.0195 -1.8632 -0.831 9.89015 1.3709 3.4226583272 5.093034915 0.285565481
+C      3.73666742     -1.12975507     -0.78121688
+C      3.63291798      0.02184208      0.19708005
+O      4.93691506      0.61484299      0.33737270
+C      5.03289291      1.67766569      1.18933619
+C      4.05444496      2.24750662      1.92079421
+C      6.44040831      2.17929627      1.22936293
+O      6.82339465      3.12005439      1.90255687
+H      2.75141325     -1.60029828     -0.90210112
+H      4.44062279     -1.89064857     -0.41872397
+H      4.07538791     -0.77984427     -1.76545277
+H      3.28945757     -0.32120596      1.18931547
+H      2.92771285      0.79308355     -0.16075344
+H      3.02065050      1.91210061      1.91922558
+H      4.33278702      3.09430863      2.54589032
+H      7.13472682      1.60260133      0.56927388 
+
+19
+-1820.294771908236 11.258709 12.63149 -9.8174 -7.6194 -11.566 0.9106 -0.0126 2.9 10.87397 -2.61489 9.206084486 13.5169661186 0.087083521
+C      1.05491799      0.06675818     -0.16216642
+C      2.56123229     -0.02748555     -0.00783202
+O      3.13338617      1.23788106     -0.35257868
+C      4.56212051      1.30981842     -0.17339962
+C      5.32362547      0.66975933     -1.33111784
+C      4.87045842      2.79890530     -0.03209030
+O      4.14449479      3.39405208      1.03862703
+H      0.58904759     -0.89573274      0.09139645
+H      0.78596263      0.31977051     -1.19687352
+H      0.63968610      0.83708666      0.50251111
+H      2.96238463     -0.82371675     -0.66317289
+H      2.83556908     -0.28530920      1.03440292
+H      4.82080533      0.80864296      0.78110971
+H      5.07339340      1.16952863     -2.27810385
+H      5.08465284     -0.39754767     -1.43064419
+H      6.40849850      0.75076334     -1.16879788
+H      4.64775392      3.30144484     -0.99449261
+H      5.93928549      2.93832244      0.18690270
+H      3.22293485      3.09557816      0.91143988 
+
+17
+-1685.981724041618 10.821856 12.09805 -9.4679 -7.2802 -10.903 0.8588 -1.1187 -0.072 10.13033 0.69991 3.6992091002 12.320798785 0.12247326
+C      3.89951841      3.60850395     -3.15008683
+C      4.32770922      3.49131530     -1.70090766
+O      5.15639997      2.32575026     -1.56561516
+C      5.59492531      2.11379684     -0.22608003
+C      6.20703473      0.71610172     -0.14832673
+C      6.65982023      3.14027471      0.15841748
+O      6.82323115      3.58731428      1.27681246
+H      3.25480194      4.48835588     -3.28233285
+H      3.33897872      2.71672364     -3.46221470
+H      4.77323383      3.71662746     -3.80715228
+H      3.44840256      3.39402069     -1.03447663
+H      4.88109082      4.39680954     -1.38403582
+H      4.75265841      2.20391924      0.48713493
+H      7.06876504      0.63292200     -0.82597617
+H      5.45664850     -0.02616043     -0.45090793
+H      6.53573361      0.49906936      0.87616839
+H      7.32085756      3.43597558     -0.70079048 
+
+19
+-1821.6597018502896 11.408655 12.97394 -9.9704 -7.7072 -11.731 0.9343 -0.0049 2.974 11.29163 -2.71624 9.3672166916 13.788979004 0.110403545
+C      1.06600500      0.99940980      0.52685543
+C      2.51842127      0.56591257      0.47458959
+O      3.33425502      1.71490387      0.23670193
+C      4.72423148      1.39915462      0.16034718
+C      5.45895188      2.66723615     -0.26046382
+C      6.95164891      2.43434228     -0.42786986
+O      4.94339802      3.14267317     -1.51070309
+H      0.41949243      0.13038678      0.71152603
+H      0.76181032      1.46010286     -0.42327754
+H      0.90608975      1.72829855      1.33309056
+H      2.67972497     -0.17755364     -0.33127107
+H      2.81890166      0.08924175      1.42880925
+H      4.89412029      0.60404772     -0.59338026
+H      5.09581357      1.04140134      1.14131751
+H      5.28955757      3.43173655      0.52482433
+H      7.13972121      1.66222172     -1.18811534
+H      7.40882162      2.11952186      0.52066932
+H      7.43886698      3.36210853     -0.75517663
+H      3.97183803      3.10718354     -1.42348350 
+
+17
+-1690.4393837143857 10.721299 11.92091 -9.176 -7.0813 -10.692 1.1024 -0.746 0.144 9.78899 0.5575 3.7505393042 11.9603342872 0.121903998
+C      0.90637034      2.12800687      1.08439162
+C      2.40419238      2.30201091      1.23864134
+O      3.05504457      1.66167215      0.13260457
+C      4.46642223      1.79876733      0.18097810
+C      5.02805129      3.11414099     -0.38227122
+C      4.17783172      3.86018022     -1.38365412
+O      6.14836130      3.47897559     -0.05749771
+H      0.38454121      2.58940954      1.93415851
+H      0.64196954      1.06230953      1.05073525
+H      0.54996434      2.60204046      0.15957361
+H      2.75974868      1.84693229      2.18358163
+H      2.67010331      3.37709884      1.27429254
+H      4.88440223      0.99238038     -0.44640046
+H      4.86679615      1.66232608      1.20157269
+H      3.88772432      3.18829396     -2.20536167
+H      4.73287450      4.72159030     -1.76924186
+H      3.23754190      4.19322455     -0.92055284 
+
+17
+-1685.0976945754512 10.911084 12.29142 -9.5484 -7.2922 -10.879 1.1025 -0.8975 0.07 10.00971 0.5425 3.6771023964 11.8370550074 0.098966346
+C      1.79882877      1.56717639     -1.48530848
+C      3.03861078      1.07974766     -0.76100269
+O      3.96500026      2.16386110     -0.65118173
+C      5.15900709      1.78467148      0.02297956
+C      6.06004598      3.01014495      0.14504578
+C      5.53379353      4.04720769      1.11216893
+O      6.23886287      4.72055424      1.84210482
+H      1.07082368      0.74938207     -1.57729321
+H      2.05055516      1.92227081     -2.49387611
+H      1.32542534      2.39167962     -0.93486380
+H      3.51207526      0.24216631     -1.31177451
+H      2.78143968      0.70582703      0.25036826
+H      5.68430541      0.98681861     -0.53854643
+H      4.91892638      1.37454436      1.02607679
+H      6.12429451      3.48816769     -0.84869150
+H      7.07944956      2.73035979      0.44593603
+H      4.42108573      4.16985019      1.11520829 
+
+19
+-1806.5133068155487 11.58094 13.34073 -9.6247 -7.4102 -11.514 1.0278 0.1011 3.202 10.87557 -2.99279 9.3567646718 12.424575067 0.185446974
+C      1.95017534      3.59671793     -0.11973957
+C      2.68286062      2.27042669     -0.19143845
+O      4.08802678      2.52179132     -0.17126656
+C      4.84756196      1.32141056     -0.22616538
+C      6.31975636      1.70456619     -0.24490940
+O      7.07981235      0.50282458     -0.28548766
+C      8.47453298      0.76293093     -0.33762509
+H      0.86408402      3.43127699     -0.14375434
+H      2.22281141      4.23656251     -0.97034752
+H      2.20009118      4.12894515      0.80837466
+H      2.41500669      1.72312142     -1.11807229
+H      2.40583706      1.62209354      0.66455303
+H      4.60199207      0.73892844     -1.13590024
+H      4.63855156      0.67958784      0.65237039
+H      6.56622946      2.29729976      0.65817358
+H      6.53205134      2.33485016     -1.13099562
+H      8.98377124     -0.20874384     -0.36527293
+H      8.81677038      1.32553434      0.55178550
+H      8.74581720      1.33963548     -1.24242211 
+
+17
+-1666.669900790467 11.306678 12.47806 -7.847 -5.8857 -9.01 0.9777 0.0771 1.109 8.63096 -0.60927 5.905763145 10.7167423086 0.278218181
+C      0.79836692      2.24773170     -0.90110316
+C      2.22916885      2.69203858     -0.67004443
+O      2.98089442      1.55597268     -0.22527995
+C      4.31564244      1.76665279      0.02733756
+C      4.98267688      2.93338978     -0.08834865
+O      6.32095159      3.13556139      0.16315228
+C      7.05871192      1.98922353      0.57476445
+H      0.19471208      3.09654220     -1.25065125
+H      0.35370013      1.86516464      0.02756314
+H      0.75453684      1.45516776     -1.66041781
+H      2.28025651      3.48852433      0.09623119
+H      2.67972743      3.08652698     -1.60039722
+H      4.79068722      0.84022222      0.34539334
+H      4.51451948      3.86414276     -0.40305336
+H      8.09103587      2.32604596      0.72280900
+H      7.03448739      1.20094821     -0.19823631
+H      6.66510403      1.57894449      1.52141118 
+
+19
+-1815.4180285898294 11.208806 12.60689 -9.8309 -7.6865 -11.772 0.9669 0.0596 3.152 11.07454 -2.86004 9.4570197514 12.646448014 0.151512026
+C      5.69649485     -2.52754428      0.10183287
+C      5.63047352     -1.45159725     -0.96476711
+O      6.22739300     -0.25470202     -0.43710049
+C      6.18479633      0.84039436     -1.33645551
+C      6.57239045      2.08273356     -0.54784163
+O      6.97347629      0.61978119     -2.50785990
+C      8.37950663      0.49395219     -2.27351563
+H      5.24469487     -3.45708233     -0.27195615
+H      5.15575862     -2.21756593      1.00678231
+H      6.73900690     -2.73824934      0.37833408
+H      4.58081207     -1.23956532     -1.24712520
+H      6.16399601     -1.76464865     -1.87833983
+H      5.16380870      0.94280538     -1.75173018
+H      7.54240831      1.94994345     -0.05088414
+H      5.81903161      2.27336845      0.22721079
+H      6.62310110      2.95166556     -1.21655444
+H      8.81138818      0.11372447     -3.20780390
+H      8.59439076     -0.21767650     -1.46016036
+H      8.84687178      1.46543302     -2.03835558 
+
+19
+-1815.5912176885595 11.352427 12.7867 -9.9279 -7.7937 -11.759 0.9875 0.084 3.308 11.41845 -3.12535 9.573269025 12.5046204286 0.134298565
+C      0.87607532      2.27350953      1.77061561
+C      2.38742093      2.25986685      1.65340949
+O      2.73841030      1.78776213      0.34020618
+C      4.13406121      1.71774687      0.13314655
+O      4.77892524      2.97237945      0.05663990
+C      4.44261577      3.70571636     -1.13480252
+C      5.21220267      5.01183217     -1.12827787
+H      0.57915108      2.62710741      2.76804146
+H      0.46080496      1.26739789      1.62064645
+H      0.43380864      2.94493376      1.02158343
+H      2.83708947      1.58721542      2.41007019
+H      2.80564359      3.26860395      1.81235931
+H      4.25538110      1.15470507     -0.80994163
+H      4.63038281      1.19152927      0.96849147
+H      3.35474877      3.88784401     -1.16711583
+H      4.70660786      3.09503499     -2.02058060
+H      4.94768055      5.61462808     -0.24838855
+H      4.97272502      5.59419768     -2.02920161
+H      6.29565473      4.83024910     -1.10950142 
+
+11
+-1257.6235888821516 10.46174 10.76085 -9.4328 -7.3346 -9.101 0.2771 -1.4644 -0.358 10.62007 1.02557 4.204489246 6.0544719534 0.369178827
+C      0.85401077      0.54822925      0.37585299
+C      2.17366499      0.51783657      0.11227253
+O      2.96508613     -0.62334632     -0.13771481
+C      2.46418568     -1.89627397     -0.17017482
+O      1.32410483     -2.25427389      0.00011817
+C      2.98580309      1.68606847      0.04950441
+C      3.67698350      2.68361423     -0.00360713
+H      0.40220334      1.52351164      0.54747188
+H      0.24405925     -0.34640822      0.42003095
+H      3.32009391     -2.56363040     -0.38915224
+H      4.28341452      3.56514264     -0.05004191 
+
+13
+-1423.5148184032632 11.415843 11.45733 -9.4314 -7.3495 -9.708 -0.207 -1.9189 -0.789 10.10003 1.39145 4.1613545166 5.7391755554 0.389193044
+C      0.89917170      2.34333147     -1.66264041
+C      1.97827564      1.99968748     -0.95808677
+O      2.84060560      2.97930984     -0.49071478
+C      3.93104888      2.55381292      0.25966417
+O      4.16073996      1.38917355      0.51972049
+C      4.72847202      3.73056579      0.66883798
+C      5.83350330      3.58488373      1.41167050
+H      0.23037031      1.56615885     -2.02578334
+H      0.66663819      3.38397028     -1.88648603
+H      2.26746946      0.98139440     -0.69791100
+H      4.37199853      4.70747411      0.33885794
+H      6.15958253      2.59120875      1.72400962
+H      6.42775388      4.44512885      1.71883162 
+
+11
+-1258.8019164206123 10.874806 11.15103 -9.6879 -7.5943 -9.891 -0.1705 -1.9651 -0.797 10.30178 1.38494 3.8427476924 6.629035476 0.500351277
+C      0.80002409     -0.33940050     -0.05695379
+C      2.12123094     -0.20001945     -0.16071549
+O      2.78875485      0.66053951      0.70545674
+C      4.15090071      0.78400172      0.53330940
+O      4.80586052      0.20603015     -0.31113798
+C      4.69029876      1.70217932      1.50418760
+C      5.22077126      2.46307232      2.28594379
+H      0.28157728     -1.01453140     -0.73411914
+H      0.22311505      0.20589377      0.68885855
+H      2.76132263     -0.70865012     -0.88066206
+H      5.68715391      3.13209467      2.98117239 
+
+15
+-1529.0970483728868 10.999256 11.48067 -9.0881 -6.9398 -9.492 0.9768 0.0954 1.047 9.06375 -0.73714 6.4064310116 6.4064310116 0.368406278
+C      2.92430909      2.61204301     -3.10547020
+C      2.07520245      2.58279080     -2.07276585
+O      2.34574005      2.80441304     -0.73905107
+C      3.69116085      2.90142487     -0.36366565
+O      4.18081734      4.20061666     -0.71377315
+C      5.46842117      4.46560054     -0.34655993
+C      6.33522591      3.66042132      0.28794811
+H      2.54053684      2.37985986     -4.09664393
+H      3.97513364      2.88015252     -3.01397916
+H      1.01272972      2.36230571     -2.18778560
+H      4.30079038      2.12730789     -0.86677425
+H      3.71876343      2.77974245      0.73081051
+H      5.73274196      5.48154882     -0.64669864
+H      6.10729636      2.64336766      0.60124729
+H      7.33007080      4.04224484      0.50701154 
+
+13
+-1425.6386552472686 10.251065 10.90229 -9.2424 -7.2542 -10.64 -1.1159 -2.9377 -1.819 9.97144 2.31535 2.7188393996 4.9565635248 0.327261771
+C      1.12564175     -0.34469358      0.72526915
+C      2.52879484     -0.77491059      0.40012010
+O      2.93372913     -1.92407812      0.49814690
+C      3.49051780      0.34766704     -0.09158052
+O      3.06113556      1.48856028     -0.23534616
+C      4.88809140     -0.06725253     -0.35952663
+C      5.80082039      0.81996227     -0.78526978
+H      1.14413771      0.40134502      1.53362757
+H      0.52948174     -1.21363343      1.01983118
+H      0.67710548      0.16584524     -0.13853957
+H      5.12831345     -1.11784691     -0.19168012
+H      5.51960746      1.86387407     -0.94330700
+H      6.83259328      0.52903123     -0.98402511 
+
+11
+-1262.1212469399673 9.799042 10.59134 -9.6401 -7.655 -10.957 -1.2835 -3.1576 -1.967 10.24107 2.36855 2.8040177816 11.0744419186 0.374524186
+C      1.01343233     -0.23969397      0.37213032
+C      2.12156319      0.12559143     -0.57419821
+O      2.52500941     -0.57827375     -1.48324240
+C      2.77828070      1.51798370     -0.32852828
+O      2.42924574      2.22759788      0.60769871
+C      3.80971320      1.89779430     -1.26444620
+C      4.67168519      2.25127369     -2.04504110
+H      0.21615341      0.51665614      0.32814469
+H      1.38272002     -0.22589298      1.40785792
+H      0.62139774     -1.22851403      0.11526966
+H      5.43040906      2.55700758     -2.73797510 
+
+15
+-1557.7512207597408 10.565742 11.32297 -9.6998 -7.5638 -10.036 0.536 -1.2343 -0.195 9.83604 0.91377 3.7647852956 6.730518017 0.277515752
+C      2.58760759     -1.11667096     -0.72327268
+C      2.54059132     -0.05390617      0.33944509
+O      1.91170169     -0.18200089      1.38352724
+C      3.31580451      1.26185869      0.11345689
+O      3.13880019      2.10618563      1.23179992
+C      4.78007151      1.00496275     -0.14108869
+C      5.39700671      1.22656048     -1.30629436
+H      2.55546600     -0.68132312     -1.73119502
+H      1.76493599     -1.82557777     -0.57917381
+H      3.54340622     -1.65677705     -0.64320849
+H      2.87277209      1.72376113     -0.79491363
+H      2.54305359      1.59318611      1.82849663
+H      5.33668708      0.63235535      0.72513123
+H      4.86022562      1.62866364     -2.16938935
+H      6.46089989      1.02379220     -1.43507100 
+
+13
+-1394.4502235483722 10.161069 11.05078 -9.5287 -7.4333 -10.15 0.7075 -1.1119 0.008 9.67883 0.67517 3.7297096562 10.8125338922 0.294613238
+C      2.23973000     -0.82775764      1.39673170
+C      2.47210025     -0.12996562      0.08457288
+O      2.11425641     -0.55997304     -0.99548103
+C      3.23960165      1.22957864      0.14587039
+O      2.87314381      1.91280772      1.35362725
+C      4.67265717      0.96489800      0.06630671
+C      5.86771774      0.75235972      0.02922263
+H      1.55142864     -0.22937421      2.01066692
+H      3.17910041     -0.89538822      1.96393543
+H      1.82009473     -1.82242215      1.21480099
+H      2.91985583      1.79613990     -0.74746979
+H      3.56184721      2.57544255      1.53649862
+H      6.92159616      0.56491435     -0.01316269 
+
+15
+-1549.6065616447233 10.393289 11.05264 -9.1504 -7.0189 -9.817 0.9484 -0.8971 0.094 9.82864 0.60279 3.7539613178 6.4299015614 0.297181688
+C      1.72708582     -1.11498036      0.90507631
+C      1.70615594      0.33970277      0.51073941
+O      0.68021182      0.99300905      0.39907026
+C      3.05349049      1.05020210      0.30804247
+O      4.18086502      0.19529180      0.09939591
+C      4.32600386     -0.31999159     -1.16068362
+C      3.51468635     -0.17568991     -2.21884244
+H      2.13400156     -1.71606914      0.07835360
+H      0.71040447     -1.44479606      1.14195254
+H      2.39615897     -1.27176304      1.76369825
+H      3.26848665      1.59380369      1.24146026
+H      2.95195780      1.79088881     -0.50068976
+H      5.24567425     -0.90690946     -1.20792901
+H      2.58687214      0.39373026     -2.20505726
+H      3.79805486     -0.65436891     -3.15384692 
+
+13
+-1388.7993531189131 10.138046 11.03936 -9.7253 -7.5616 -10.167 0.6479 -1.3135 -0.237 10.2504 0.9195 3.6641334608 10.9660409588 0.623403442
+C      0.97618041     -0.04744373     -0.10774981
+C      2.50436128      0.01351908      0.00234339
+O      2.85331500     -0.68545074      1.22172076
+C      3.09807569     -0.83037063     -1.15951732
+O      3.75118086     -0.41954516     -2.09069411
+C      3.01109905      1.38146831      0.00179965
+C      3.47048089      2.50400100      0.00953163
+H      0.63664479      0.45343577     -1.02278129
+H      0.53364492      0.44904038      0.76495064
+H      0.65029199     -1.09681716     -0.12149927
+H      3.77932546     -0.46003532      1.42877467
+H      2.85838372     -1.91634970     -1.02070119
+H      3.86996596      3.49788790      0.01629226 
+
+17
+-1683.8586534806177 11.054673 11.9511 -9.7385 -7.5125 -9.737 1.037 -0.2507 1.102 9.20109 -0.53278 6.6535971026 6.6535971026 0.455658295
+C      0.86494880     -0.09486831     -0.01654210
+C      2.39889554     -0.05858397     -0.02330331
+O      2.92559930     -0.90943154      1.02026570
+C      2.96857385     -0.68914775     -1.31716361
+O      2.55204900     -2.03722288     -1.49522168
+C      2.90014914      1.36344697      0.09596639
+C      3.84824199      1.77771272      0.94281030
+H      0.45413040      0.55776781     -0.80040101
+H      0.47504859      0.25901294      0.94985318
+H      0.51413878     -1.11867655     -0.19866124
+H      2.46492087     -0.68284802      1.84715656
+H      4.06986890     -0.60902513     -1.27073941
+H      2.61600310     -0.12668841     -2.19378697
+H      2.79430666     -2.49616123     -0.66812801
+H      2.43373852      2.07862292     -0.59067263
+H      4.33500114      1.07999662      1.62694509
+H      4.16511543      2.82073378      0.97013275 
+
+15
+-1524.9706572876878 10.581151 11.64414 -10.0352 -7.7463 -9.996 0.8891 -0.1972 1.989 9.58406 -1.63518 4.3635136896 11.0069439402 0.421015092
+C      0.95764086     -0.02021682      0.11174295
+C      2.49033254     -0.00936913      0.01252436
+O      3.07357162     -0.75136133      1.12137900
+C      2.95524052     -0.78858032     -1.24092993
+O      4.36197656     -0.91726702     -1.31506256
+C      2.99872952      1.36659384      0.00719986
+C      3.38320272      2.51762427      0.03901614
+H      0.50752791      0.47187349     -0.76170182
+H      0.62864203      0.51364800      1.01273170
+H      0.60483553     -1.05873682      0.16556112
+H      3.16963105     -0.13468373      1.86826065
+H      2.62446407     -0.26115740     -2.14636399
+H      2.45712280     -1.77712924     -1.20485549
+H      4.64378388     -1.21465182     -0.42785420
+H      3.74377838      3.52619405      0.05043223 
+
+15
+-1558.7864557782323 10.762614 11.42633 -9.9791 -7.9009 -10.708 -0.5053 -2.2172 -0.814 9.66986 1.43989 3.5534635572 5.6596137392 0.402705735
+C      1.09229662     -1.06399485      0.30771486
+C      2.38752440     -0.33442336     -0.08172999
+O      3.00765743     -0.97656725     -1.17432895
+C      2.13865338      1.13508321     -0.42306629
+O      2.41584313      1.53539406     -1.55476575
+C      1.59152192      2.01812445      0.63684377
+C      1.31926476      3.31075655      0.40403612
+H      0.63804427     -0.64637617      1.21666658
+H      1.32816115     -2.11967536      0.49300308
+H      0.36457240     -1.01093022     -0.51374280
+H      3.07269843     -0.34074922      0.79371061
+H      3.07520557     -0.27364162     -1.86211942
+H      1.42465711      1.57880921      1.62339867
+H      1.49356953      3.73601788     -0.58657103
+H      0.92373992      3.96200268      1.18359055 
+
+13
+-1397.3124193735969 10.288447 11.03418 -10.3495 -8.1497 -10.995 -0.5678 -2.3507 -0.85 9.93074 1.46856 3.6057112576 10.821002136 0.25481786
+C      0.95612397     -0.02661900      0.23116228
+C      2.44242461     -0.05926736     -0.14429383
+O      2.62840663     -0.60422591     -1.43163468
+C      3.08332832      1.32778349     -0.08759051
+O      3.63700035      1.79186606     -1.08386091
+C      3.02892530      2.04391047      1.16355849
+C      2.97668672      2.63002840      2.22722754
+H      0.81354351      0.33542258      1.25805806
+H      0.55145902     -1.04365927      0.15604841
+H      0.40178683      0.62029926     -0.46237076
+H      2.98341464     -0.67234195      0.60841837
+H      3.14902714      0.07267938     -1.92230555
+H      2.94295296      3.16349385      3.15661309 
+
+17
+-1684.129888247365 10.96477 11.82159 -9.9214 -7.6718 -9.709 1.2004 -0.2289 1.156 9.19021 -0.59769 6.6642475 6.6642475 0.452340498
+C      3.64678007     -1.26574175     -0.50407286
+C      2.83260559     -0.19174772      0.20682626
+O      2.84461157     -0.35831222      1.63832730
+C      3.23179318      1.27036283     -0.12817376
+O      2.36660278      2.15073555      0.58332954
+C      4.69540082      1.53133738      0.14362232
+C      5.15934095      2.36014040      1.08574121
+H      3.60948349     -1.13054300     -1.59558699
+H      3.24125699     -2.25778571     -0.26601712
+H      4.70205867     -1.24526051     -0.19399394
+H      1.76933163     -0.29277843     -0.06365151
+H      3.77113449     -0.24261035      1.92901723
+H      3.03800176      1.43584349     -1.20429265
+H      2.20491916      1.70654418      1.44142369
+H      5.40155907      0.98726479     -0.49313918
+H      4.47391147      2.94233878      1.70444191
+H      6.23010831      2.50211228      1.23780855 
+
+15
+-1522.850826287903 10.70355 11.82883 -9.7888 -7.5605 -9.982 0.9939 -0.1108 1.973 9.59508 -1.63908 4.3764454294 10.6862169554 0.254241648
+C      0.89185319     -0.00340038      0.06962525
+C      2.41015616     -0.02118086     -0.04183085
+O      2.85764513     -0.65580130     -1.24348886
+C      3.00144281      1.41619510      0.06381974
+O      2.55337519      2.07317574      1.26666932
+C      4.45862094      1.41128766     -0.02542384
+C      5.67243770      1.41786034     -0.00936232
+H      0.57279317      0.47375665      1.00497270
+H      0.50189699     -1.02914250      0.03622869
+H      0.44861267      0.56517356     -0.76536901
+H      2.84351507     -0.62007227      0.77614458
+H      2.33572540     -0.29280857     -1.98229494
+H      2.58918781      2.01012590     -0.77422049
+H      3.25611327      1.95788649      1.93089492
+H      6.74342450      1.41862443     -0.01790489 
+
+17
+-1680.446958035184 11.208159 12.27313 -9.1198 -6.944 -9.602 0.9181 0.0065 1.098 9.14006 -0.61632 6.4308562536 6.4308562536 0.361067988
+C      0.81824522      1.02141051     -2.25026136
+C      0.71679373     -0.08716265     -1.21454394
+O      0.40490750     -1.30236597     -1.90768279
+C      2.01326143     -0.23298415     -0.42853553
+O      1.82029750     -1.30305896      0.51370651
+C      2.88856012     -1.62705914      1.29935621
+C      4.10244248     -1.05721390      1.32338786
+H      1.00113076      1.99245185     -1.76947697
+H     -0.11914802      1.08665092     -2.81721999
+H      1.63363918      0.81485984     -2.95832052
+H     -0.09266203      0.15069144     -0.49531744
+H      0.45175890     -2.01824428     -1.24754796
+H      2.25488251      0.69923561      0.11250068
+H      2.84619748     -0.48727452     -1.10855055
+H      2.62335328     -2.45898048      1.95543452
+H      4.39377621     -0.22722665      0.68290539
+H      4.84210375     -1.44319950      2.02158587 
+
+15
+-1562.0680884773394 10.659205 11.46278 -10.2484 -7.9848 -9.913 1.2959 -0.4423 -0.156 10.72229 0.70217 4.3659562138 6.7589976012 0.441440264
+C      1.00516190     -0.17023683      0.86649693
+C      1.89801163      0.49809536     -0.17387885
+O      1.03766532      1.05990615     -1.24082427
+C      0.78396900      0.25070160     -2.29243010
+O      1.17841822     -0.88566431     -2.45203127
+C      2.68633379      1.64810703      0.37704492
+C      4.02100950      1.67285048      0.43391387
+H      1.62489994     -0.58324198      1.67395484
+H      0.43365158     -0.99022334      0.41236244
+H      0.30547642      0.55681295      1.30212694
+H      2.56142827     -0.24251257     -0.64273318
+H      0.14403114      0.80463271     -3.00784472
+H      2.09892071      2.48331071      0.77314949
+H      4.62312953      0.84959609      0.04146667
+H      4.55724305      2.51226593      0.87830630 
+
+13
+-1402.7908822171491 10.225641 11.16709 -10.4034 -8.0674 -10.099 1.6464 -0.3738 -0.25 9.68062 0.8031 4.3442586638 10.6030099508 0.442563603
+C      2.10266226     -0.42607426      1.49886033
+C      2.47928445     -0.01455938      0.07642963
+O      1.28282339     -0.10745565     -0.78837213
+C      1.13939420     -1.27467927     -1.45930798
+O      1.88084102     -2.23345352     -1.41914045
+C      2.97406758      1.35223082     -0.01445826
+C      3.41600522      2.48069311     -0.05395856
+H      2.98045757     -0.33611885      2.15179080
+H      1.76379439     -1.46958530      1.50630675
+H      1.30772791      0.22309296      1.88679582
+H      3.22471943     -0.71418858     -0.33284018
+H      0.21474084     -1.21088337     -2.06534332
+H      3.79903173      3.47998129     -0.09819244 
+
+17
+-1713.6008138538011 10.595783 12.00854 -9.978 -7.9379 -11.364 0.9952 0.0006 0.192 10.25531 0.46046 4.4241180464 8.6364184104 0.112823182
+C      2.20211756      0.60153027      2.07918998
+C      2.27384234      0.91021530      0.59409795
+O      3.02916093      2.13133588      0.34137717
+C      4.37769007      1.98043754      0.19318872
+O      4.95566034      0.91041533      0.25594274
+C      5.03278007      3.32300174     -0.06789280
+C      6.55146277      3.23924663     -0.17735894
+H      1.56017493     -0.27619221      2.24315100
+H      1.77561182      1.44711218      2.63623912
+H      3.19886056      0.37499056      2.47959774
+H      1.27983600      1.11862135      0.17638876
+H      2.74244017      0.08717006      0.03773117
+H      4.71984398      4.00879905      0.73542483
+H      4.58475345      3.73182138     -0.98834434
+H      6.99376351      2.84796470      0.74844650
+H      6.97641767      4.23333454     -0.37070873
+H      6.85234384      2.56837568     -0.99259087 
+
+15
+-1568.2155448333237 10.763133 11.57423 -10.0497 -8.0785 -10.636 0.2612 -1.5037 -0.646 10.06408 1.1947 4.1820725772 5.7484993026 0.420353342
+C      6.66250706     -0.10681929      1.26329612
+C      5.16580810     -0.20816835      1.49988598
+O      4.41752260      0.05144257      0.27661942
+C      4.13528537      1.36452446      0.02225305
+O      4.45433073      2.29026436      0.75032664
+C      3.38740378      1.48264269     -1.25653626
+C      3.01488475      2.67926988     -1.72619109
+H      7.19955526     -0.38860247      2.18044065
+H      6.94775839      0.92029679      1.00131844
+H      6.97905257     -0.78353451      0.45772270
+H      4.83344319      0.50226983      2.26903612
+H      4.86860722     -1.22650529      1.78382221
+H      3.16391044      0.55431893     -1.78531867
+H      3.25884853      3.58602947     -1.16925579
+H      2.46672201      2.77782092     -2.66309952 
+
+13
+-1404.2221243091014 10.340842 11.32158 -10.3846 -8.2708 -10.901 0.3514 -1.5039 -0.657 10.26275 1.20213 3.8477319296 6.8954565928 0.25101957
+C      0.45837503     -0.59511354      0.28840964
+C      1.90695432     -0.42644572     -0.13052076
+O      2.29748940      0.98321446     -0.12344827
+C      2.06431418      1.66068305     -1.27649950
+O      1.57570617      1.19304455     -2.29091936
+C      2.48437692      3.03999243     -1.15203764
+C      2.80888307      4.20866117     -1.13087125
+H      0.21976723     -1.66642661      0.35174011
+H     -0.21868622     -0.13722264     -0.44417298
+H      0.27925124     -0.14397629      1.27360944
+H      2.08752160     -0.83367561     -1.13410443
+H      2.59583182     -0.89082849      0.58665535
+H      3.09774523      5.24016325     -1.10808035 
+
+17
+-1673.120117966838 11.093687 11.99571 -8.9709 -6.8103 -9.453 1.0083 0.0973 1.263 9.0083 -0.78842 6.452727384 6.452727384 0.339450216
+C      0.64976208      1.56710143     -0.61376445
+C      2.10662733      1.86716782     -0.90353924
+O      2.89934952      1.34153026      0.17977393
+C      4.27634648      1.47395648     -0.02086391
+O      4.75774822      2.82704588     -0.00880400
+C      4.80149513      3.46031728      1.20917045
+C      4.29845238      3.05144883      2.38168474
+H      0.01869785      1.94941437     -1.42792686
+H      0.33396289      2.04759351      0.32223906
+H      0.48275795      0.48503650     -0.52298635
+H      2.27724674      2.95329207     -0.99264554
+H      2.43169022      1.39290303     -1.84996782
+H      4.57755241      1.09993512     -1.01533082
+H      4.76449201      0.90587820      0.78673348
+H      5.33790029      4.40627403      1.10512032
+H      3.71585636      2.14017245      2.49918840
+H      4.45970215      3.67690276      3.25771860 
+
+15
+-1564.348803945055 10.08911 11.43929 -10.0104 -7.9016 -11.428 1.3647 0.0395 0.153 10.31917 0.48427 4.4282591788 11.8649518574 0.21997508
+C      2.72326080      1.29723068     -2.84787294
+C      3.44858846      1.64308822     -1.57189960
+O      2.98341038      2.25490479     -0.63055416
+O      4.72645025      1.14530119     -1.60540456
+C      5.51823515      1.40209576     -0.44178554
+C      6.94454027      0.96810664     -0.54154536
+C      6.59113942      2.44664743     -0.54269822
+H      3.29884958      1.63614147     -3.71922306
+H      1.73462078      1.76495245     -2.84166255
+H      2.61674041      0.20683404     -2.93011732
+H      4.96385814      1.29260185      0.48972577
+H      7.26019957      0.53531974     -1.49087695
+H      7.40964859      0.53340860      0.34310867
+H      6.80196329      3.04713066      0.34217693
+H      6.67648490      2.97267648     -1.49352111 
+
+15
+-1566.3637341066012 10.545584 11.45291 -10.0121 -7.8026 -9.841 1.3239 -0.3363 0.139 10.30192 0.48768 4.4072311532 6.7871548218 0.394143256
+C      1.63696340      2.84489529      0.06537634
+C      2.86120665      2.27266597     -0.60426977
+O      2.94396623      1.96755242     -1.77862833
+O      3.88301035      2.15123650      0.29844578
+C      5.16278203      1.69640517     -0.24624171
+C      6.04046436      2.86344777     -0.57820504
+C      6.53369179      3.09255972     -1.79929983
+H      1.74973539      3.93666960      0.13333755
+H      1.52263219      2.45725683      1.08443038
+H      0.75320489      2.61933409     -0.53942605
+H      4.97622602      1.07148241     -1.12925591
+H      5.59488146      1.08807782      0.56143006
+H      6.27798788      3.53913977      0.24986904
+H      6.29337733      2.43624634     -2.63887730
+H      7.18925003      3.94103030     -2.00014519 
+
+13
+-1407.4053644576163 10.154724 11.23373 -10.4226 -8.0126 -10.043 1.3573 -0.1885 0.048 9.6682 0.58757 4.3903070642 10.9650862666 0.424057301
+C      1.32069363     -0.43981892      0.75817798
+C      2.57125450     -0.22713521     -0.05411415
+O      2.73188667     -0.56488541     -1.20998431
+O      3.52863151      0.39928635      0.70611760
+C      4.81799632      0.59721740      0.05432689
+C      5.79683416     -0.38039837      0.50329716
+C      6.62842061     -1.18294867      0.87108261
+H      1.12783170      0.40998874      1.42338363
+H      1.45832293     -1.33179964      1.38650751
+H      0.47540415     -0.60895021      0.08419255
+H      5.13163748      1.61477607      0.32668919
+H      4.67653212      0.53162483     -1.03462160
+H      7.35892422     -1.89678696      1.19341495 
+
+19
+-1863.8976022317438 11.893667 13.32779 -9.2013 -7.0938 -10.757 0.9343 0.0575 3.056 10.38555 -2.72731 8.605000358 10.6355562758 0.237773489
+C      2.02692883     -0.48861179     -0.89478379
+O      1.83981203      0.65710453     -0.06670928
+C      3.03205586      1.38246996      0.09580945
+C      3.45860917      2.36935478     -0.97473643
+C      2.93600477      2.85966748      0.37147291
+C      1.56474552      3.50564347      0.40911044
+C      3.94107519      3.44713465      1.34434494
+H      1.05341279     -0.98929966     -0.97175400
+H      2.75978246     -1.18932784     -0.45322338
+H      2.37508271     -0.20460535     -1.90415908
+H      3.82359134      0.82242160      0.61408416
+H      2.78656265      2.47517774     -1.82846777
+H      4.52100172      2.47611095     -1.20233774
+H      0.86430179      3.00235640     -0.26854695
+H      1.63245737      4.56619780      0.12102278
+H      1.13993092      3.45725625      1.42406362
+H      4.90774655      2.92532648      1.29429379
+H      3.57240151      3.37771062      2.38007731
+H      4.12365682      4.51052191      1.12158903 
+
+17
+-1718.2554943499506 11.954677 12.90206 -8.7889 -6.7068 -9.268 1.5033 0.0134 1.179 8.79809 -0.61276 6.3229884336 6.3229884336 0.420494815
+C      0.84048278      0.75425439      0.60911418
+O      1.59149240      1.10598833     -0.55383858
+C      2.84023920      1.64413831     -0.22796849
+C      3.47646844      2.53463048     -1.23827464
+C      2.97242278      3.14871823      0.05759701
+C      3.87149250      3.62759305      1.12974206
+C      5.21287171      3.59734535      1.12740567
+H     -0.10391649      0.32048533      0.25829599
+H      0.62844421      1.64044299      1.23337927
+H      1.37734868      0.00825085      1.22260002
+H      3.48852854      0.98972753      0.37072936
+H      2.88915245      2.74839625     -2.13132748
+H      4.55073677      2.44673692     -1.40095122
+H      2.02136015      3.67989058     -0.03215684
+H      3.36134713      4.01240690      2.02020072
+H      5.78712215      3.24492068      0.26760209
+H      5.78322658      3.93567382      1.99262087 
+
+15
+-1561.9352181286872 11.634533 12.95755 -9.4697 -7.2249 -9.457 0.9449 0.0529 2.224 9.08009 -1.81389 4.3117495346 9.4227872168 0.36881242
+C      2.42896225     -0.88974199     -0.87372745
+O      2.06545018      0.31681489     -0.19879080
+C      3.16840641      1.15908479     -0.01169334
+C      3.57652141      2.10207094     -1.11021636
+C      2.84918126      2.62912873      0.13457244
+C      3.53823327      3.42921312      1.10332101
+C      4.13325958      4.10044083      1.92350358
+H      1.51257422     -1.48402893     -0.97156143
+H      3.17352156     -1.46422156     -0.29377112
+H      2.84186738     -0.68199101     -1.87657609
+H      3.95727183      0.75585597      0.63543492
+H      2.98786939      2.08479828     -2.02754705
+H      4.63113585      2.35356227     -1.21943595
+H      1.79444604      2.86854893     -0.02098089
+H      4.64880937      4.69537475      2.64882852 
+
+17
+-1667.9256542983012 10.733107 12.19638 -9.565 -7.4038 -11.157 0.8994 -0.0301 2.954 11.263 -2.66618 8.818752222 11.545824292 0.176138469
+C      1.70558477     -0.38527465     -0.94456382
+O      1.62396799      0.78471414     -0.13036364
+C      2.87316118      1.40585927      0.01699751
+C      3.35846856      2.37471008     -1.03882697
+C      2.86372455      2.87073060      0.31776228
+C      3.83598024      3.45989044      1.30884687
+O      4.14346721      4.83280357      1.03637111
+H      0.69116166     -0.79780337     -1.00898237
+H      2.37592316     -1.14133380     -0.49588940
+H      2.07012024     -0.14603941     -1.95942386
+H      3.63158916      0.78377607      0.51255049
+H      2.70477456      2.54425787     -1.89486827
+H      4.42937582      2.40603769     -1.25307064
+H      1.87240068      3.33022615      0.30510430
+H      4.75911276      2.84788073      1.33592258
+H      3.40553530      3.45268643      2.32164548
+H      4.39005216      4.88711820      0.09531834 
+
+17
+-1670.3187661030781 10.749452 12.0481 -9.2821 -7.1392 -10.875 0.9075 -0.0305 3.008 10.55728 -2.67308 8.5482271686 10.5926447212 0.204648763
+C      1.93799928     -0.44458972     -1.24112715
+O      1.75903240      0.64915507     -0.34148145
+C      2.98266088      1.23342942      0.01446013
+C      3.62969056      2.26198516     -0.90679566
+C      2.98553988      2.67515218      0.41051656
+C      1.70612904      3.47600573      0.41146549
+O      3.86030069      2.94453541      1.49647697
+H      0.93780059     -0.82922126     -1.47646765
+H      2.53699198     -1.25022600     -0.77906602
+H      2.43651788     -0.12237215     -2.17249444
+H      3.66322120      0.58249110      0.57791866
+H      3.09275651      2.51763051     -1.82199645
+H      4.71838645      2.26825081     -0.96917891
+H      1.02318753      3.12712013     -0.37283272
+H      1.91583373      4.54395165      0.24341743
+H      1.20072312      3.36857781      1.38174165
+H      4.22018828      3.84032416      1.36155355 
+
+15
+-1539.310963983548 10.348164 11.41003 -9.5981 -7.4643 -10.891 0.8459 -1.0145 -0.053 9.93632 0.6832 3.7085328474 7.1003434578 0.151929096
+C      0.97746230      2.18203227     -1.96925851
+O      1.85386338      3.15331058     -1.38945801
+C      2.61284602      2.60810280     -0.34999766
+C      3.90973879      1.93694768     -0.64281565
+C      3.91017350      3.34579584     -0.03906338
+C      4.27167963      3.51170421      1.38637564
+O      4.15651775      2.63666691      2.23359713
+H      0.42465228      2.69498649     -2.76511623
+H      0.26282071      1.79233014     -1.22281508
+H      1.54245724      1.33641005     -2.39850365
+H      2.04477156      2.26123726      0.52308455
+H      4.22279733      1.87175066     -1.68454571
+H      4.23620172      1.14120268      0.02819677
+H      4.13842535      4.17538120     -0.70931208
+H      4.66012245      4.52401122      1.66329189 
+
+17
+-1657.3404960421824 10.785052 12.17492 -9.2396 -7.0862 -10.82 1.0017 0.1273 3.2 10.46567 -2.91762 8.602582631 11.033018196 0.145327913
+C      1.13353082      0.05570979     -1.47318157
+O      1.43392379      0.98684131     -0.43263672
+C      2.81239529      1.21888735     -0.31829594
+C      3.50025068      2.20241496     -1.25464788
+C      3.24771954      2.56498641      0.18305356
+O      4.36895681      2.66124359      1.02064270
+C      4.02200034      2.45905926      2.39195144
+H      0.04137717     -0.04288195     -1.50568611
+H      1.58058911     -0.93424106     -1.26711635
+H      1.50050629      0.41237609     -2.45211570
+H      3.40989851      0.35531182      0.00340008
+H      2.89018707      2.70955105     -2.00261107
+H      4.52929086      1.98692724     -1.54370102
+H      2.44614534      3.28800926      0.38508521
+H      4.95206107      2.53318863      2.96860611
+H      3.56827440      1.46512134      2.55081115
+H      3.31379291      3.23119492      2.74335213 
+
+17
+-1663.9278572250694 10.541703 11.80882 -9.5511 -7.4089 -10.959 1.0165 0.1391 3.14 10.64576 -3.39448 8.5750081446 11.056885501 0.218494641
+C      1.75325579     -0.56111873     -0.11213581
+O      1.80643245      0.78163615      0.39348845
+C      3.05332236      1.38813390      0.18671670
+C      3.39628191      1.91765801     -1.17076797
+C      3.02088029      2.86932188     -0.02718153
+O      4.11982413      0.82003762      0.89797163
+C      3.99266870      0.99122559      2.31762321
+H      1.93798082     -0.58243102     -1.19979822
+H      0.74072717     -0.92785269      0.09432440
+H      2.49104804     -1.20774002      0.38831253
+H      2.66127681      1.77785620     -1.96368784
+H      4.44133285      1.88365777     -1.47802958
+H      3.82490970      3.45726790      0.41590347
+H      2.04537176      3.35315267     -0.07177776
+H      4.87923979      0.52575723      2.76437126
+H      3.08382147      0.50174342      2.70128125
+H      3.96347594      2.06098412      2.58662582 
+
+19
+-1867.708237143116 11.775388 13.26279 -9.3648 -7.2224 -11.233 0.9655 0.1022 2.961 10.63824 -2.72756 9.0643932852 9.774870261 0.08677297
+C      2.01135533     -0.46234762     -1.29335015
+O      2.21919224      0.10038313     -0.00318065
+C      3.00517472      1.27760825     -0.04837233
+C      2.37775757      2.61261084     -0.53978893
+C      3.14306194      3.31221537      0.61723767
+C      3.26989298      1.93067692      1.32403176
+C      4.52776174      1.57317310      2.09730438
+H      1.41930170     -1.37621489     -1.15478644
+H      2.97053229     -0.72405168     -1.78023874
+H      1.45688232      0.22608403     -1.95746928
+H      3.95913483      1.07676031     -0.58089980
+H      1.29289708      2.60895612     -0.35759312
+H      2.57747293      2.94016460     -1.56880528
+H      4.12544156      3.68475495      0.28897337
+H      2.62524830      4.11456951      1.15897832
+H      2.37254026      1.76124273      1.94253859
+H      5.42844045      1.73895201      1.48544898
+H      4.51520842      0.51638476      2.40301994
+H      4.62551335      2.18314755      3.00815171 
+
+19
+-1864.1024151446834 11.754065 13.19643 -9.2589 -7.1658 -10.694 0.9303 0.0394 3.022 10.3294 -2.65361 8.4683305902 10.6233188576 0.257141176
+C      1.84635020     -0.60656456     -1.15221720
+O      1.69411173      0.52025395     -0.29089379
+C      2.92382805      1.13559502      0.07094264
+C      3.76981843      0.32651118      1.02863008
+C      3.56573772      2.01829031     -0.98230231
+C      2.80424751      2.63288788      0.18416376
+C      3.49700769      3.45199902      1.24915022
+H      2.42893001     -0.35063194     -2.05566021
+H      0.83409358     -0.90853282     -1.45029819
+H      2.33340134     -1.45926560     -0.64667870
+H      4.67474237      0.87322721      1.32275513
+H      4.09709770     -0.61968355      0.57255693
+H      3.19680070      0.09092649      1.93809332
+H      3.09896100      2.05375123     -1.96752444
+H      4.65498225      2.10383824     -0.98335563
+H      1.80312599      2.98422616     -0.08114098
+H      4.51940024      3.09883381      1.44509867
+H      2.94418595      3.42500011      2.20077172
+H      3.57172753      4.50469787      0.93658900 
+
+19
+-1863.3014734020355 11.845749 13.46024 -9.0233 -6.9098 -10.614 0.9516 0.0762 3.25 10.25152 -2.9302 8.5562862586 10.8264327228 0.172498936
+C      2.25762978     -0.71896211     -0.90459921
+O      1.95036001      0.48452003     -0.20128682
+C      3.07726579      1.31683039     -0.07524052
+C      3.39070004      2.35686666     -1.14425238
+C      2.54365136      2.47986004     -2.39116117
+C      2.82343134      2.76551253      0.20907749
+C      3.64912921      3.52191455      1.22473548
+H      1.33298048     -1.30848270     -0.94655118
+H      3.03405236     -1.30343368     -0.37653273
+H      2.60857323     -0.51370410     -1.93131976
+H      3.92923976      0.83609524      0.42647362
+H      4.45743308      2.56160049     -1.28287308
+H      1.52070908      2.12480909     -2.20377902
+H      2.95928914      1.88792783     -3.22118830
+H      2.48283126      3.52635593     -2.72681568
+H      1.76105047      3.02735250      0.17682843
+H      4.69638554      3.18494885      1.21436102
+H      3.26171964      3.37594781      2.24468274
+H      3.64792844      4.60239065      1.01428106 
+
+17
+-1674.559730148927 10.605814 11.91358 -9.5801 -7.4257 -11.483 0.8768 -0.0684 2.726 11.17455 -2.4979 9.0308178764 11.5139474914 0.138885305
+C      2.02846787     -0.46481774     -1.31371680
+O      2.23669213      0.09354333     -0.02074754
+C      3.00589021      1.27425908     -0.05690995
+C      2.36529085      2.62114267     -0.50976053
+C      3.16960605      3.31285373      0.62408251
+C      3.28422562      1.92570437      1.31307379
+O      4.42439905      1.57710059      2.07400670
+H      1.44495860     -1.38391081     -1.17570899
+H      2.98846843     -0.71704586     -1.80347196
+H      1.46605761      0.22183430     -1.97250689
+H      3.95952614      1.10191146     -0.60212541
+H      1.28705151      2.61777767     -0.29620926
+H      2.53590039      2.95727581     -1.53964322
+H      4.15310773      3.65695302      0.26757096
+H      2.69226748      4.12474842      1.18620933
+H      2.41845067      1.74715315      1.96902387
+H      5.21083967      1.74208680      1.52349340 
+
+17
+-1669.330627355282 10.593172 11.8616 -9.295 -7.1551 -10.815 0.9098 -0.046 2.988 10.50796 -2.63235 8.5137218648 10.7171142666 0.165554614
+C      1.90833100     -0.65528343     -1.22996516
+O      1.71568790      0.44959823     -0.34726245
+C      2.92827330      1.04604545      0.07932894
+C      3.75138820      0.23822702      1.05536677
+C      3.61484582      1.96921610     -0.92173761
+C      2.80929887      2.53088247      0.23897552
+O      3.46361026      3.12740783      1.33650964
+H      2.52335682     -0.37256179     -2.10338406
+H      0.91059798     -0.95613569     -1.57341374
+H      2.38356397     -1.51364754     -0.72410869
+H      4.55864651      0.85287431      1.47168438
+H      4.19894012     -0.64379030      0.57492891
+H      3.11513742     -0.09783292      1.88712830
+H      3.18713513      2.05889798     -1.92107753
+H      4.70153360      2.04760079     -0.85900335
+H      1.82297724      2.94198997     -0.00230974
+H      3.77236587      4.00476152      1.05025984 
+
+17
+-1665.6023633710415 10.649124 12.01903 -9.3078 -7.1196 -10.879 0.8586 -0.087 3.019 10.53873 -2.70816 8.4875360216 10.5614498436 0.201705947
+C      2.26457897     -0.77877303     -0.97163595
+O      1.88550297      0.41560057     -0.28428665
+C      2.98638208      1.24602802     -0.02973858
+C      3.44567115      2.29343834     -1.06027911
+C      2.77750697      2.44655278     -2.40839840
+C      2.71707864      2.69800900      0.20293296
+O      3.30257783      3.44145580      1.25011740
+H      1.34656618     -1.35844053     -1.13036183
+H      2.97055740     -1.37860075     -0.36859361
+H      2.73122986     -0.55647361     -1.94680306
+H      3.78223450      0.77828884      0.56868252
+H      4.52807728      2.46581222     -1.05125506
+H      1.72805444      2.12464025     -2.36157653
+H      3.27888568      1.84149166     -3.17886258
+H      2.79594773      3.49527894     -2.74055729
+H      1.67578244      3.00204132      0.07203259
+H      4.25513589      3.24454020      1.27005320 
+
+15
+-1544.3352985275274 10.180834 11.28739 -9.3064 -7.2488 -10.44 0.7815 -0.9942 0.304 9.60345 0.45324 3.7126863784 11.276464707 0.083806998
+C      2.14203271     -0.43448008     -1.62160432
+O      2.20881793      0.10831032     -0.30331300
+C      2.98485320      1.26829329     -0.23096940
+C      2.40137195      2.67320606     -0.61524455
+C      3.06364316      3.28718523      0.65169580
+C      3.23758541      1.85076172      1.17916242
+O      3.35481529      1.36541096      2.27763173
+H      1.55916636     -1.36092993     -1.55271919
+H      3.15139220     -0.66773904     -2.00754737
+H      1.64190104      0.25604638     -2.32372264
+H      3.97054586      1.12935483     -0.72769642
+H      1.30631316      2.66578390     -0.53365515
+H      2.70252806      3.08360384     -1.58576458
+H      4.03085509      3.77405560      0.45812916
+H      2.45600857      3.94645692      1.28450750 
+
+19
+-1882.6248279387496 11.549427 12.86176 -9.4106 -7.2631 -11.372 0.9211 0.0052 3.087 10.67542 -2.78777 9.1575315684 11.7654530924 0.127377831
+C      2.01724452     -0.26229562     -1.50618649
+O      2.20871013      0.17076734     -0.16642001
+C      2.92659172      1.39971606     -0.07352344
+C      2.14588084      2.66382062     -0.47837009
+C      2.96476387      3.79360583      0.16490916
+C      3.51273757      3.19596656      1.49480448
+C      3.30302354      1.66446782      1.39095528
+H      1.55235942     -1.25541106     -1.45840988
+H      2.98089682     -0.34264028     -2.04525835
+H      1.35334708      0.41400851     -2.07497655
+H      3.84429103      1.32590606     -0.69696710
+H      1.13863971      2.60148381     -0.03235486
+H      2.03085231      2.78493074     -1.56484095
+H      3.80073246      4.06983428     -0.49702103
+H      2.37196016      4.70529137      0.32307378
+H      4.57323064      3.45177197      1.63086280
+H      2.97789959      3.60430828      2.36405317
+H      4.18009220      1.08201870      1.70339435
+H      2.45439638      1.33675901      2.01134573 
+
+17
+-1744.2217036314555 11.578528 12.39115 -8.1119 -6.0208 -8.536 0.881 -0.0206 1.43 8.02602 -0.80267 5.6725950734 5.6725950734 0.238952554
+C      0.99016549      0.10955679     -0.24593117
+O      2.40169312      0.07220145     -0.01495441
+C      3.06986076      1.26644019     -0.09462912
+C      4.39165538      1.35860062     -0.33243810
+C      4.87166140      2.77776180     -0.18142893
+C      3.55456043      3.59692662     -0.18878603
+C      2.44452164      2.60726334      0.23372665
+H      0.64515327     -0.92782660     -0.16178974
+H      0.75694469      0.48597853     -1.25593946
+H      0.46672618      0.72385538      0.50418395
+H      5.04014408      0.50518158     -0.52694357
+H      5.42328785      2.91255726      0.76834867
+H      5.55746182      3.09357601     -0.98381026
+H      3.35249713      3.94286815     -1.21355747
+H      3.59750430      4.48474993      0.45666727
+H      1.49679207      2.79689394     -0.29198784
+H      2.22466041      2.66465500      1.31629953 
+
+15
+-1605.7596520234442 11.4993 11.81138 -7.5436 -5.5517 -7.951 1.2411 -0.2785 0.624 7.48229 -0.06637 4.3452009574 7.0320891648 0.536575337
+C      3.08117713     -1.15821660      0.50648477
+O      2.34639966      0.04975373      0.29737609
+C      3.07143115      1.19558068      0.16757613
+C      2.53389824      2.43086850     -0.03314415
+C      3.62908086      3.39024588     -0.12270192
+C      4.82585056      2.76494808      0.01953389
+C      4.57925422      1.29479372      0.22096137
+H      2.33389972     -1.95582723      0.58413600
+H      3.66776194     -1.11779582      1.43916221
+H      3.75478621     -1.37294061     -0.33957491
+H      1.47342173      2.65892285     -0.11291600
+H      3.48645563      4.45922612     -0.28200996
+H      5.81512436      3.21549877     -0.00110307
+H      5.05917476      0.68177034     -0.56201765
+H      4.97928383      0.93756159      1.18637720 
+
+15
+-1605.9093762166399 11.479797 11.86793 -7.7882 -5.8022 -8.162 1.0161 -0.5233 0.576 7.61714 -0.04509 4.513214386 6.7355518486 0.526669989
+C      1.00334623      0.16697778     -0.54074756
+O      2.41309916      0.06162791     -0.33054008
+C      3.10493231      1.23228806     -0.19478123
+C      4.44946097      1.29868420      0.01115184
+C      4.83625012      2.74307330      0.10519481
+C      3.54170233      3.48295031     -0.07201310
+C      2.53858145      2.58938988     -0.24642923
+H      0.63481854     -0.86215676     -0.62101807
+H      0.77195550      0.70667340     -1.47398266
+H      0.50289702      0.66451745      0.30626785
+H      5.13238450      0.45758335      0.09221206
+H      5.56969458      3.03526742     -0.66930137
+H      5.30826990      2.99324712      1.07324359
+H      3.44915517      4.56721195     -0.05864814
+H      1.48753223      2.82831465     -0.39963873 
+
+19
+-1867.0860122847728 11.583572 12.81702 -9.2767 -7.1735 -11.131 0.9327 0.0349 2.881 10.52584 -2.56424 8.852166449 10.9913960958 0.112236702
+C      1.54667968     -0.52182198     -0.89355299
+O      2.21648772      0.03026801      0.23394431
+C      3.01992010      1.17945589     -0.05594591
+C      4.20624334      0.84446488     -0.95793406
+C      2.25730173      2.47652814     -0.48657446
+C      3.07974691      3.25690429      0.57428545
+C      3.43335712      1.90516384      1.24942267
+H      0.86761755     -1.29254454     -0.50664784
+H      2.24112556     -0.99439697     -1.61071961
+H      0.94953394      0.23932742     -1.42898540
+H      4.85948750      1.72095236     -1.07577980
+H      3.88293465      0.53915645     -1.96374285
+H      4.79821466      0.03003126     -0.51501461
+H      1.19809364      2.40615926     -0.20042586
+H      2.33334696      2.79503411     -1.53593584
+H      3.96006680      3.74783304      0.13632081
+H      2.53843250      3.99241128      1.18297031
+H      4.46042042      1.75012661      1.60822957
+H      2.72419921      1.65071663      2.04881611 
+
+15
+-1596.9176205727 11.287442 11.77152 -8.5686 -6.4629 -8.411 0.4869 -1.0964 0.514 7.94165 0.00771999999998 4.5725168898 7.0860974664 0.405762633
+C      2.73169331     -1.20550785     -0.34131957
+O      2.18117739      0.00201426      0.17236734
+C      3.06714930      1.10961551      0.05154645
+C      2.58752444      2.31336063      0.82434778
+C      2.70174482      3.40859207      0.04264817
+C      3.17137875      3.00819412     -1.29589808
+C      3.34077315      1.66805989     -1.33525030
+H      2.00978754     -2.00045113     -0.11689746
+H      3.69709913     -1.44639341      0.14282079
+H      2.88428989     -1.16281938     -1.43416884
+H      4.06469409      0.83130072      0.47577518
+H      2.25475865      2.25856057      1.85831409
+H      2.48865852      4.43523320      0.33923071
+H      3.35530930      3.70349525     -2.11510704
+H      3.69256172      1.07838556     -2.17878921 
+
+17
+-1741.5280792875194 11.389019 12.19726 -9.178 -6.9243 -9.014 0.9342 0.0393 1.447 8.5071 -0.82674 6.181879967 6.181879967 0.315512958
+C      2.48340724     -0.98706711     -0.43430003
+O      2.20911500      0.29981156      0.09870630
+C      3.33016071      1.19197415      0.01347917
+C      3.53130812      1.75551762     -1.42378724
+C      2.97111754      3.15273125     -1.34953523
+C      2.68941908      3.51483898     -0.09093042
+C      3.00584406      2.42141541      0.89546705
+H      1.58519847     -1.59690895     -0.27350730
+H      3.34091102     -1.46093708      0.08149201
+H      2.70134168     -0.96155311     -1.51798494
+H      4.23081533      0.65600584      0.36841645
+H      3.01572441      1.12948384     -2.16980446
+H      4.59815380      1.76564863     -1.70874375
+H      2.83084721      3.78180026     -2.23008844
+H      2.29006686      4.48511657      0.20818410
+H      3.86125171      2.69249203      1.53805732
+H      2.16612774      2.18207010      1.56663942 
+
+19
+-1866.2814513111236 11.722152 13.1467 -9.3537 -7.1925 -11.158 0.9403 0.0574 2.988 10.62632 -2.76255 9.0536189018 11.1506685114 0.159245768
+C      1.92691334     -0.50157259     -1.25957276
+O      2.16872703      0.07228141      0.01919071
+C      3.03308130      1.19244704     -0.05512235
+C      2.47125319      2.54544629     -0.58199310
+C      3.19731340      3.25383268      0.60415106
+C      4.53385492      3.89113285      0.23440324
+C      3.31554198      1.86266550      1.30168894
+H      1.26774126     -1.36553163     -1.10730484
+H      2.86797547     -0.84291500     -1.73248260
+H      1.43090157      0.21255029     -1.94263480
+H      3.96441421      0.90853037     -0.58439469
+H      1.37807268      2.57154670     -0.46286172
+H      2.73798105      2.86238028     -1.60064389
+H      2.57834723      3.98409551      1.14592138
+H      5.18379193      3.18718568     -0.30835565
+H      5.07752864      4.21914879      1.13349404
+H      4.38694934      4.77156291     -0.40976333
+H      4.26089662      1.61825381      1.80634031
+H      2.47744487      1.67600912      1.98792005 
+
+17
+-1741.222317152717 11.49073 12.24356 -9.3238 -7.1813 -9.223 1.2593 -0.0038 1.33 8.69154 -0.70502 6.257635413 6.257635413 0.330020412
+C      2.03555667     -0.23940857     -1.54266945
+O      2.22245688      0.27607455     -0.23278343
+C      3.32598240      1.20594584     -0.14419308
+C      3.54345214      1.56594177      1.34098763
+C      2.96518294      2.98821213      1.53667372
+C      2.80458190      3.49536765      0.12808617
+C      3.02108040      2.54184025     -0.78921423
+H      1.25463865     -1.00824966     -1.47437841
+H      2.96343551     -0.70436173     -1.93025768
+H      1.70525463      0.53507773     -2.25907741
+H      4.21433549      0.71516864     -0.59075888
+H      4.62021377      1.56411318      1.56131731
+H      3.06952683      0.81012872      1.98083538
+H      3.63100898      3.62933676      2.13592647
+H      1.99214791      2.98123086      2.05775231
+H      2.51948384      4.52532585     -0.09741659
+H      2.94623105      2.68228602     -1.86812984 
+
+13
+-1423.116776703532 10.093708 10.65653 -7.858 -5.835 -8.116 0.9484 0.0812 0.501 7.68197 0.03372 4.3668737102 6.8500157238 0.451431877
+C      3.24942986     -1.04477073      0.53530514
+O      2.40161731      0.09027935      0.28090176
+C      3.00832943      1.28607246      0.16892895
+C      2.47059921      2.52395504     -0.06795628
+C      3.58732185      3.42533421     -0.08429538
+C      4.70962416      2.68574558      0.14023679
+O      4.36635245      1.34795583      0.30053119
+H      2.57197063     -1.90296140      0.59055779
+H      3.78895239     -0.92841757      1.48632118
+H      3.97273468     -1.18720111     -0.28053373
+H      1.42035340      2.75009865     -0.20997144
+H      3.55383886      4.49870475     -0.24500082
+H      5.76725576      2.90438494      0.21775485 
+
+17
+-1688.0487023089413 10.399759 11.5024 -9.5335 -7.362 -11.448 0.9254 -0.0027 2.972 10.82435 -2.68364 9.0994069316 12.16860597 0.114967263
+C      1.79054830     -0.09589160     -1.33780284
+O      2.29688576      0.53099899     -0.16896001
+C      3.26610034      1.54829099     -0.46493951
+C      2.59787707      2.87745201     -0.90447932
+C      2.80260430      3.81957356      0.30396472
+C      3.25853505      2.86407327      1.41044296
+O      3.97838754      1.82435717      0.71317902
+H      1.13700523     -0.91184725     -1.00484427
+H      2.60707916     -0.51830212     -1.95521622
+H      1.19893178      0.59452880     -1.96875567
+H      3.98504280      1.14359744     -1.20249978
+H      1.53399049      2.70470613     -1.11834782
+H      3.06390944      3.27513506     -1.81592953
+H      3.59341459      4.55274699      0.09079596
+H      1.89167125      4.37015348      0.57516208
+H      3.95503789      3.30956244      2.13247264
+H      2.40262904      2.42772465      1.95422759 
+
+15
+-1547.7315530394196 10.198319 10.96567 -8.5893 -6.4309 -9.035 0.9239 0.0009 1.264 8.62031 -0.72268 5.969615935 5.969615935 0.251296536
+C      2.80069830     -1.00382582     -0.42511541
+O      2.33076441      0.29325871     -0.07326263
+C      3.36589544      1.26215484     -0.06736761
+C      3.64512602      1.87017970     -1.46677371
+C      2.97717752      3.21747018     -1.36164289
+C      2.60075431      3.39561928     -0.09105709
+O      2.89335388      2.34399903      0.75630734
+H      1.94567170     -1.68345163     -0.32910379
+H      3.60737062     -1.33686957      0.25461335
+H      3.17409624     -1.04931173     -1.46463015
+H      4.26135876      0.83826132      0.42344009
+H      3.21463126      1.22723954     -2.25016852
+H      4.72676164      1.95685233     -1.66193007
+H      2.83197466      3.92228262     -2.17472115
+H      2.10976526      4.23598120      0.39420224 
+
+13
+-1418.678909212499 9.979237 10.5058 -8.1121 -6.1054 -8.316 0.8936 0.0223 0.407 7.82452 0.10282 4.4883055986 6.5181176004 0.423206868
+C      3.04956257     -1.18057545      0.53397246
+O      2.31451913      0.02039919      0.29031046
+C      3.06802893      1.14986659      0.15316536
+C      2.53961668      2.39511081     -0.08508264
+O      3.55686428      3.31774016     -0.17166643
+C      4.72668145      2.64193625      0.01422543
+C      4.49484435      1.30884362      0.21833062
+H      2.30372263     -1.97897196      0.61715265
+H      3.62174912     -1.11652513      1.47437345
+H      3.73498211     -1.40712499     -0.29953767
+H      1.53000827      2.76459395     -0.21030078
+H      5.63084983      3.23890676     -0.02592922
+H      5.24753065      0.54732020      0.39148631 
+
+17
+-1681.8345370166064 10.436608 11.55897 -9.4494 -7.2866 -11.516 0.8945 -0.0335 2.889 10.87178 -2.6031 9.149236905 11.5257509586 0.117159767
+C      1.72471949     -0.27914939     -1.27920946
+O      2.10029058      0.27082425     -0.02443944
+C      3.04709584      1.33451176     -0.15101015
+C      2.43379323      2.65202713     -0.70319921
+C      2.79236864      3.68931596      0.37058871
+O      2.85393503      2.95140245      1.59544771
+C      3.52959362      1.73652744      1.25512625
+H      1.04787802     -1.11760400     -1.07068462
+H      2.60635135     -0.65499834     -1.83373920
+H      1.19684547      0.45340200     -1.91772314
+H      3.89157399      0.98514227     -0.77639032
+H      1.34286594      2.52547268     -0.75762158
+H      2.80821328      2.92329401     -1.69938563
+H      3.77431421      4.15877569      0.15545167
+H      2.04307471      4.48218625      0.49473786
+H      4.62532123      1.90073476      1.24496354
+H      3.28002538      0.97407508      2.00367702 
+
+15
+-1540.6459030557191 10.402012 11.12459 -8.4874 -6.2826 -8.706 0.8652 -0.0622 1.266 8.24627 -0.6645 5.7010870562 5.7010870562 0.24556297
+C      0.99340610      0.13751173     -0.20895942
+O      2.41045903      0.04424303     -0.00469116
+C      3.10773297      1.21430832     -0.06111393
+C      4.42396939      1.32491059     -0.29273356
+C      4.82785231      2.75742952     -0.14696241
+O      3.59536009      3.48864294      0.06972954
+C      2.51559251      2.57048210      0.24771598
+H      0.60882727     -0.88334393     -0.10514964
+H      0.75920263      0.51275407     -1.21831187
+H      0.51341722      0.78018250      0.54617648
+H      5.10651826      0.50831724     -0.51547361
+H      5.50774509      2.92504532      0.71254176
+H      5.32048771      3.16996179     -1.04641077
+H      1.68768989      2.85159843     -0.42902923
+H      2.12959954      2.61579634      1.28794185 
+
+17
+-1665.3718747443177 10.373542 11.5173 -9.5272 -7.3148 -11.33 0.8725 -0.0592 2.634 10.85762 -2.31366 8.8184298584 13.7548332596 0.154125445
+C      1.58679985     -0.60870955     -0.92150457
+O      2.20792680     -0.00769637      0.21123495
+C      2.99036684      1.14685353     -0.08609449
+C      4.19039928      0.85456798     -0.97842439
+C      2.20482611      2.43553187     -0.45991172
+O      2.80978647      3.15751020      0.65033888
+C      3.33118701      1.91445096      1.20593774
+H      0.92652808     -1.39356353     -0.53174420
+H      2.31682338     -1.07060742     -1.60902040
+H      0.97599629      0.11834877     -1.48825583
+H      4.80604555      1.75910060     -1.07940854
+H      3.88621341      0.54514672     -1.98852973
+H      4.80693277      0.05837915     -0.53643086
+H      1.11309431      2.32935033     -0.33135209
+H      2.43136868      2.91155830     -1.42730308
+H      4.39517440      1.99894462      1.47741628
+H      2.73797076      1.56570383      2.06783206 
+
+15
+-1547.6129110485297 10.145906 11.258 -9.3224 -7.2537 -10.608 0.9471 -0.8884 0.246 9.73516 0.5032 3.7581272474 11.7049355258 0.087900528
+C      1.80975733     -0.40021468     -1.24156033
+O      2.11401685      0.17251538      0.02675131
+C      3.05169359      1.22441399     -0.07294708
+C      2.54140706      2.59618811     -0.63454185
+C      3.11631511      3.24313263      0.63418449
+O      3.37493490      4.38275807      0.94704348
+C      3.35367719      1.88011636      1.29650214
+H      1.09740577     -1.21461726     -1.06250902
+H      2.71647528     -0.80946872     -1.72427475
+H      1.34949675      0.33835882     -1.92276517
+H      3.96630005      0.88323840     -0.59352571
+H      1.44070398      2.64269040     -0.63552026
+H      2.92549717      2.96845228     -1.59333851
+H      4.33266066      1.71251731      1.76296538
+H      2.55950830      1.64545892      2.02254588 
+
+17
+-1671.8796267627597 10.557978 11.79418 -9.5802 -7.4136 -11.336 0.8803 -0.1047 2.789 10.82492 -2.56875 9.0274330586 11.4437094224 0.139783714
+C      1.91202260     -0.49158819     -1.20868047
+O      2.18220113      0.09378153      0.06028653
+C      3.03850863      1.21512037     -0.04060011
+C      2.45275452      2.56297229     -0.56370304
+C      3.15315276      3.28174614      0.62794903
+O      4.35782106      3.97794039      0.30742860
+C      3.33661917      1.89532425      1.31108717
+H      1.26127721     -1.35699918     -1.03284957
+H      2.84334234     -0.83224136     -1.69966531
+H      1.39641581      0.21527372     -1.88400761
+H      3.96038887      0.92876372     -0.58734739
+H      1.35798932      2.57473340     -0.45614519
+H      2.72778751      2.90871921     -1.56969244
+H      2.54515960      4.01395031      1.17429583
+H      4.95843350      3.36238015     -0.14938437
+H      4.30569306      1.70192131      1.79085994
+H      2.52865291      1.68176193      2.02533840 
+
+17
+-1668.1958114638035 10.582214 11.96038 -9.4529 -7.2795 -11.359 0.9094 -0.002 2.82 11.0978 -2.55763 9.0014207958 11.3537575794 0.090403008
+C      2.00605835     -0.47521122     -1.41989930
+O      2.16056400      0.05124984     -0.10512681
+C      3.01452053      1.17500110     -0.07335804
+C      2.45019755      2.55766667     -0.47213028
+O      2.90679430      3.12870506      0.78733143
+C      3.17930510      1.79067129      1.32725798
+C      4.50551042      1.70018701      2.04422081
+H      1.35729639     -1.35609188     -1.33714678
+H      2.97912520     -0.78000906     -1.84923574
+H      1.53267233      0.25483520     -2.10179376
+H      3.98103062      0.94616948     -0.56335201
+H      1.34781845      2.55813139     -0.55046084
+H      2.89392511      3.07466273     -1.33679925
+H      2.34798074      1.46550715      1.98095555
+H      5.33087881      2.00477484      1.38517740
+H      4.68003067      0.66812361      2.38295074
+H      4.50881144      2.35357677      2.92828890 
+
+15
+-1540.5730867020275 10.331064 11.08437 -7.8599 -5.7661 -8.668 0.8701 -0.0444 1.176 8.25405 -0.6273 5.4483539938 11.7886632716 0.183318702
+C      1.02882737      0.00102054     -0.20554604
+O      2.34962165      0.11909710      0.34137534
+C      2.98309068      1.30169225      0.05271301
+C      4.26254651      1.41154837     -0.34520762
+O      4.73960952      2.70570312     -0.38123103
+C      3.55887667      3.55584047     -0.22106870
+C      2.45112958      2.68134577      0.39399598
+H      0.66971052     -0.99658349      0.07436251
+H      1.04656187      0.09221814     -1.30478222
+H      0.34558987      0.75908941      0.21283167
+H      4.98161784      0.63335580     -0.58694956
+H      3.26847092      3.90374750     -1.22643963
+H      3.85380663      4.41638594      0.39156727
+H      1.47220596      2.91200664     -0.05116267
+H      2.35926441      2.80265242      1.48868168 
+
+17
+-1669.090489696705 10.488004 11.71759 -9.7091 -7.521 -11.233 0.9133 -0.0063 2.733 10.77555 -2.37286 8.712186255 11.1444568128 0.155688636
+C      0.52907694      0.50771596      0.38769985
+O      1.71367521      0.48483979     -0.41681815
+C      2.80536096      1.19627907      0.15424144
+C      3.48420171      0.44798495      1.27919427
+O      3.95931508     -0.83249156      0.85730677
+C      3.62746817      1.96011487     -0.83970277
+C      2.75107201      2.70466125      0.15349873
+H      0.66606176     -0.01427875      1.35041040
+H     -0.24601656     -0.01132560     -0.18983039
+H      0.20272268      1.54277683      0.58795071
+H      2.79113919      0.34157984      2.13709026
+H      4.35667194      1.01706704      1.63264158
+H      3.27474533     -1.18607599      0.25806172
+H      3.28541016      1.93246375     -1.87405124
+H      4.70919353      1.97082978     -0.70400147
+H      3.22288528      3.24529115      0.97558511
+H      1.84489661      3.16600761     -0.24062683 
+
+15
+-1543.9842256714812 10.309675 10.96451 -8.6874 -6.5847 -9.196 1.0588 -0.002 1.115 8.74876 -0.57111 5.9593126984 5.9593126984 0.247856623
+C      2.04350927     -0.29186937     -1.57535498
+O      2.22144088      0.21276648     -0.25868356
+C      3.30043139      1.16919178     -0.17071142
+C      3.46877720      1.56200636      1.30570189
+O      2.96269696      2.92469795      1.45646102
+C      2.77858238      3.39232644      0.18712756
+C      2.99630201      2.50746018     -0.79971792
+H      1.27784489     -1.07562463     -1.51513368
+H      2.97936483     -0.73350195     -1.96905012
+H      1.69839708      0.48831706     -2.27734946
+H      4.21297172      0.69112620     -0.57746664
+H      4.52460939      1.57339527      1.61150259
+H      2.88729258      0.90323790      1.96273360
+H      2.47000882      4.43574011      0.13602169
+H      2.90894060      2.70924020     -1.86250058 
+
+15
+-1544.27243432704 10.401149 11.06919 -9.5681 -7.4214 -9.377 1.4598 -0.1797 1.144 8.90706 -0.55103 6.2379960306 6.2379960306 0.31751649
+C      2.31698593     -0.27040232     -1.67738503
+O      2.19896867      0.45847820     -0.46163508
+C      3.29260637      1.36636784     -0.24316962
+O      3.42918980      1.57462974      1.14799785
+C      2.99733433      2.90541032      1.48694771
+C      2.79925596      3.59797590      0.17517220
+C      3.00875563      2.73187597     -0.82041773
+H      1.51368999     -1.01754510     -1.67673386
+H      3.29128141     -0.79078355     -1.74461269
+H      2.19887515      0.37144806     -2.57041677
+H      4.21559524      0.88244890     -0.62343703
+H      3.78091024      3.37092946      2.10890224
+H      2.06590388      2.86770532      2.08215338
+H      2.49936270      4.64155512      0.08726157
+H      2.92320471      2.92378615     -1.88839714 
+
+19
+-1863.2417814194455 12.000225 13.78108 -9.5905 -7.358 -11.237 0.9782 0.0967 3.136 10.84424 -2.84228 9.1755591328 11.2849949438 0.207432131
+C      1.27619543      0.91382833     -0.49388240
+O      2.63070423      0.68500524     -0.14024426
+C      3.39303407      1.89291309     -0.16863148
+C      4.80515553      1.61125170      0.25943686
+C      5.80382498      1.06455733     -0.73726917
+C      5.93034531      2.48767359     -0.24692421
+C      7.06024486      2.89254997      0.67215139
+H      0.76026081     -0.05373233     -0.44769899
+H      1.18500832      1.32173684     -1.51949224
+H      0.78453932      1.61846767      0.20477598
+H      2.92530832      2.64233081      0.50432116
+H      3.38430673      2.32116441     -1.19350335
+H      4.90366083      1.25231162      1.28764892
+H      5.45498220      0.89251188     -1.75678598
+H      6.53134760      0.33551131     -0.37673277
+H      5.63092392      3.25558550     -0.96710631
+H      7.31700384      2.07602479      1.36353550
+H      6.79123460      3.77136031      1.27818842
+H      7.96767908      3.14232792      0.10125292 
+
+17
+-1665.9881938038016 10.802818 12.32844 -9.4584 -7.2527 -11.071 0.9999 0.0334 2.963 10.71218 -2.65932 8.7522089358 11.23561132 0.271844274
+C      1.15669455      0.27204532     -0.00306909
+O      2.57579118      0.24137778      0.00146085
+C      3.12994274      1.54607505      0.17997090
+C      4.62853322      1.45706156      0.21756470
+C      5.42875774      1.32048917     -1.07340821
+C      5.47243149      2.60117503     -0.29269442
+O      6.62667585      3.04441098      0.38697628
+H      0.81055158     -0.75996629     -0.14247682
+H      0.76472274      0.89804010     -0.82809624
+H      0.75328482      0.66228347      0.95131275
+H      2.74694498      1.98991439      1.12214991
+H      2.80673522      2.20882851     -0.65085494
+H      5.03689014      0.92316221      1.07988374
+H      4.88935768      1.29785859     -2.02190582
+H      6.30777144      0.67300839     -1.04308161
+H      4.94492702      3.46337296     -0.70684541
+H      7.23564762      2.29086277      0.47849342 
+
+19
+-1863.2770613395826 11.856248 13.3815 -9.639 -7.3975 -11.485 0.9851 0.0955 3.043 10.87418 -2.77071 9.3350671218 10.4363479696 0.121013494
+C      1.14416152      0.80034629     -1.25892811
+O      2.56181187      0.82797039     -1.20701447
+C      3.03708281      1.37614069      0.02046622
+C      4.54923657      1.40079286      0.00734570
+C      5.28855588      2.41661357     -0.90811936
+C      6.31036508      2.64340991      0.23829372
+C      5.27501824      2.03835182      1.22542137
+H      0.86216425      0.37992496     -2.23280354
+H      0.71341675      1.81605107     -1.16635879
+H      0.71935068      0.16745404     -0.45582051
+H      2.66964344      0.76993596      0.87602930
+H      2.64192951      2.40651421      0.15303593
+H      4.92579164      0.38104640     -0.17370330
+H      4.66815147      3.30981330     -1.08159307
+H      5.66271536      2.05539595     -1.87486332
+H      7.18999368      1.99228638      0.13033910
+H      6.65487803      3.66960293      0.42493831
+H      5.63966749      1.36671796      2.01489583
+H      4.65709573      2.82400132      1.68863899 
+
+19
+-1863.51048506569 11.878187 13.35228 -9.6258 -7.4089 -11.063 0.9506 0.0471 2.996 10.68583 -2.65491 8.9161928194 11.3254887714 0.218274101
+C      1.18831430      2.17536063      1.14081992
+O      2.60423594      2.10329333      1.15931315
+C      3.11504163      1.44447149     -0.00017772
+C      4.61835423      1.33393084      0.09362527
+C      5.13332016      0.48995679      1.24352350
+C      5.36782728      1.30244956     -1.22195976
+C      5.42832775      2.53360467     -0.34507565
+H      0.87645459      2.68775183      2.06002991
+H      0.72782401      1.16859187      1.11535102
+H      0.81972681      2.74792257      0.26736482
+H      2.82825731      2.00843482     -0.91211932
+H      2.66394455      0.43191069     -0.08105180
+H      6.23204934      0.45734834      1.24670338
+H      4.76467036     -0.54569536      1.16838524
+H      4.79899979      0.90130370      2.20665880
+H      4.79378945      1.36146472     -2.14846287
+H      6.25221385      0.66616155     -1.27864588
+H      6.35731707      2.73800863      0.18871238
+H      4.88785157      3.42323932     -0.67099438 
+
+17
+-1664.5546002388387 10.587243 12.03864 -9.4868 -7.2897 -11.341 0.9904 0.0685 2.99 10.75787 -2.71306 9.2597208296 11.6534069442 0.122254498
+C      1.46790766      1.32193903     -0.68850567
+O      2.82643690      0.92594338     -0.56587877
+C      3.59332326      1.87956781      0.15825337
+C      5.02376432      1.37870977      0.23827421
+C      5.92788583      1.53712113     -1.00162910
+C      6.81870058      2.38716952     -0.07769533
+O      5.85216467      2.29789910      1.01443666
+H      0.95343036      0.54090562     -1.26251368
+H      1.37311678      2.28612795     -1.22344313
+H      0.98454273      1.42197506      0.30171387
+H      3.19800777      2.01002360      1.18652713
+H      3.56681501      2.87024958     -0.34053949
+H      5.03345368      0.36380855      0.67528722
+H      5.45584380      2.08971825     -1.82409207
+H      6.37429124      0.61498861     -1.39083908
+H      7.77908652      1.92217183      0.20194309
+H      6.99441890      3.43239120     -0.37778920 
+
+17
+-1666.376579433466 10.619349 12.03336 -9.9342 -7.6749 -11.728 0.9461 0.0099 2.67 11.15242 -2.36094 9.2151230654 11.1253133744 0.168649338
+C      2.89310175     -0.95887230      0.77710607
+O      4.09469665     -0.51035904      0.16600692
+C      4.23717235      0.90398111      0.25924868
+C      5.56702840      1.30730463     -0.34811301
+C      6.80378256      0.77867170      0.33552933
+C      5.59753461      1.70208080     -1.76779003
+O      5.60361708      2.70630746     -0.73018204
+H      2.85938715     -2.04943851      0.66138927
+H      2.00165065     -0.51626610      0.29343879
+H      2.86819313     -0.70757755      1.85446684
+H      4.20440771      1.22334575      1.32197745
+H      3.41723610      1.42301705     -0.27395941
+H      7.70968206      1.11962338     -0.18103225
+H      6.78647716     -0.31991800      0.34677330
+H      6.84291017      1.13101585      1.37723373
+H      4.68055630      1.65117227     -2.36504293
+H      6.53464616      1.60804150     -2.32682073 
+
+17
+-1662.6795015674568 10.553503 11.89374 -9.5299 -7.2591 -11.428 0.9255 -0.0004 2.873 10.8446 -2.60141 9.303847447 10.7856537274 0.091765173
+C      1.44770026      1.68046298      1.87942805
+O      2.77950322      1.27035044      1.60259824
+C      3.25432041      1.80349551      0.37118388
+C      4.68642305      1.35403258      0.16372623
+C      5.40988522      2.04148400     -1.01345035
+O      6.27520140      2.78816946     -0.11199015
+C      5.74233303      2.06266392      1.03754778
+H      1.16487315      1.23416566      2.84092678
+H      0.74527283      1.33205274      1.09844882
+H      1.36972207      2.78165148      1.95462249
+H      3.20260886      2.91295680      0.38756151
+H      2.61801759      1.45436498     -0.46949063
+H      4.73922318      0.25683486      0.17239184
+H      4.79446146      2.71101798     -1.63901524
+H      5.98723574      1.36420647     -1.66557425
+H      6.50219061      1.39884775      1.48221461
+H      5.35006793      2.74288240      1.81038039 
+
+17
+-1666.75611894583 10.748477 12.43295 -9.935 -7.6558 -11.612 0.9954 0.0783 2.799 11.1407 -2.53683 9.2393995242 10.8557554118 0.270368629
+C      1.23124718      2.81122125     -0.47291165
+O      2.51292633      2.80391736      0.14009555
+C      3.31918941      1.73124812     -0.33657439
+C      4.61528196      1.73563565      0.43511258
+O      5.67325521      0.93651135     -0.13299444
+C      5.83378498      2.37783208     -0.08528839
+C      6.91621262      2.90836104      0.81422753
+H      0.67482031      3.65550802     -0.04717520
+H      0.67999475      1.87377556     -0.26917165
+H      1.30574043      2.94276909     -1.56912735
+H      3.52782238      1.83570741     -1.42006038
+H      2.79935498      0.76248578     -0.18729005
+H      4.50744004      1.64563978      1.52396625
+H      5.75508831      2.85249316     -1.07275900
+H      6.90453053      2.39374453      1.78411779
+H      6.77470373      3.98582077      0.98565237
+H      7.90560685      2.76356906      0.35755042 
+
+17
+-1670.9147926622566 10.739407 12.12122 -9.5519 -7.3444 -10.965 0.933 -0.0082 2.886 10.61943 -2.5391 8.5975859952 11.6871435348 0.198657551
+C      3.37854599     -0.08336360      1.56521555
+O      4.51114267      0.18403324      0.75057803
+C      4.58790394      1.56195845      0.37259676
+C      5.89727159      1.77481193     -0.33894202
+O      7.02929246      1.50046338      0.46358348
+C      5.99855762      1.50999270     -1.82528134
+C      6.05136891      2.92829058     -1.28168862
+H      3.41028829     -1.14931390      1.82449697
+H      2.43460826      0.12839897      1.02771290
+H      3.39587279      0.51712518      2.49439622
+H      4.54861440      2.20031687      1.27796575
+H      3.73711082      1.83264099     -0.28338025
+H      6.91712948      0.58160898      0.77318381
+H      5.10416862      1.18646498     -2.35927879
+H      6.93620729      1.07949003     -2.17568736
+H      7.02297437      3.42211536     -1.26841439
+H      5.19754251      3.58723585     -1.44604670 
+
+19
+-1861.9297297490962 11.881854 13.50613 -9.6512 -7.4009 -11.303 0.9874 0.0924 3.186 10.95545 -2.88762 9.4001969676 11.7930895718 0.28382335
+C      1.07329163      2.34381453     -1.15748892
+O      2.48353718      2.23197074     -1.25915794
+C      3.05492776      1.65162685     -0.08713398
+C      4.56661465      1.57125105     -0.25698503
+C      5.24517736      2.92289527     -0.32718764
+C      5.61389287      3.64956179      0.94636536
+C      6.69566426      3.06098621      0.06656966
+H      0.71409847      2.79575532     -2.09106314
+H      0.77517782      2.98700832     -0.30721401
+H      0.59475804      1.35348050     -1.02946468
+H      2.63189242      0.63878261      0.07338684
+H      2.79979404      2.26695052      0.80048969
+H      4.78655819      0.98883814     -1.16766127
+H      4.97462128      0.99833483      0.59303787
+H      4.91091944      3.55218978     -1.15479979
+H      5.40650984      3.14731852      1.89368871
+H      5.50639471      4.73426982      0.97802976
+H      7.32696635      3.74339451     -0.50327533
+H      7.20849368      2.16706070      0.42694386 
+
+17
+-1722.909327839289 11.790464 12.97803 -8.3969 -6.3332 -8.894 0.9583 0.0888 1.272 8.44396 -0.68425 5.9752820952 5.9752820952 0.318151313
+C      3.64455060     -0.69916465     -1.34956443
+O      3.03022138     -0.11788806     -0.19864107
+C      3.49222728      1.11221732      0.17462508
+C      4.45962381      1.85041640     -0.39859749
+C      4.88048313      3.18009780      0.11928028
+C      4.79262874      3.54283244      1.58334292
+C      6.14605006      3.32495350      0.94696223
+H      3.16273189     -1.67285393     -1.49261049
+H      4.72727631     -0.83824777     -1.19134686
+H      3.48639161     -0.07126812     -2.24228015
+H      2.95188939      1.45686326      1.05864954
+H      4.97305118      1.49331856     -1.29489710
+H      4.70492769      4.01228967     -0.57129598
+H      4.44229431      2.78411006      2.28323644
+H      4.50089655      4.56166160      1.83906593
+H      6.78329676      4.19185414      0.76809785
+H      6.67612934      2.40676779      1.20432328 
+
+17
+-1721.2257425305452 11.752814 12.68147 -8.3432 -6.283 -8.946 0.9103 -0.0258 1.356 8.36138 -0.75188 6.0904774878 6.0904774878 0.359092656
+C      4.03165112      0.00862628     -1.33839045
+O      3.01381609      0.91284828     -0.90350325
+C      3.37387032      1.94915107     -0.05815507
+C      2.52250571      2.98366254      0.05246970
+C      4.64842151      1.81521029      0.70337568
+C      4.82295127      2.46310059      2.05306031
+C      4.69622960      0.96192342      1.96206333
+H      3.51506349     -0.74354095     -1.94630943
+H      4.53332208     -0.48965213     -0.49468183
+H      4.78450294      0.51684912     -1.96510622
+H      1.60144569      3.00625449     -0.52808135
+H      2.73850205      3.80677886      0.72748851
+H      5.55194211      1.77583446      0.08758709
+H      3.97901386      3.01249621      2.46862546
+H      5.80146358      2.88466510      2.28373154
+H      5.58212206      0.34959071      2.13552784
+H      3.75542650      0.52075166      2.29270816 
+
+19
+-1863.6034850158399 11.68987 13.1065 -9.3895 -7.2758 -11.365 0.9818 0.1258 2.97 10.7099 -2.61237 9.1397643746 11.6595690484 0.129886821
+C      4.09654316     -0.86117524      0.22314820
+O      3.40530576      0.05520962      1.06154936
+C      3.39526524      1.40834671      0.57610715
+C      2.39114606      2.15536992      1.44702243
+C      4.76852965      2.05446559      0.60962418
+C      5.70672673      1.97837670     -0.57474882
+C      5.02956163      3.28228703     -0.23390884
+H      3.91542610     -1.86207693      0.63664340
+H      5.18374499     -0.67392575      0.19962422
+H      3.71097247     -0.82892789     -0.81476797
+H      3.04025298      1.40446132     -0.47864968
+H      2.72136129      2.14728165      2.49589996
+H      1.40531314      1.67488469      1.39250715
+H      2.29787045      3.19910175      1.11945959
+H      5.23283612      2.04227663      1.60011951
+H      5.35803377      1.45079766     -1.46460160
+H      6.77549648      1.88135279     -0.38064613
+H      5.62831560      4.08501332      0.19647458
+H      4.22757835      3.62090044     -0.89303670 
+
+17
+-1663.3702904060276 10.606333 12.02207 -9.8782 -7.6238 -11.806 0.9159 -0.0296 2.856 10.95827 -2.57928 9.2592496828 11.3969914976 0.191702741
+C      1.75053055      1.50144077      1.91303720
+O      3.07103330      1.65196741      1.41446617
+C      3.13266955      1.42974919      0.00814713
+C      4.56964901      1.59893974     -0.46621970
+C      5.08135648      3.01267735     -0.31814936
+C      5.89842866      3.43672445      0.82736089
+O      6.50559390      3.20113215     -0.46152635
+H      1.78985207      1.67848651      2.99513672
+H      1.36001395      0.48242195      1.72786348
+H      1.05613297      2.23026501      1.45287209
+H      2.46234229      2.14307469     -0.51686097
+H      2.77404675      0.40835462     -0.23100418
+H      4.61634553      1.31070848     -1.52935263
+H      5.22792032      0.91152332      0.08683378
+H      4.48289044      3.78335893     -0.82429896
+H      6.14234280      2.70104394      1.60047404
+H      5.88180144      4.48265149      1.15123066 
+
+15
+-1525.98659939643 10.889989 11.82179 -8.6766 -6.6333 -9.23 0.9126 0.0162 0.902 8.79257 -0.3396 5.9845810452 5.9845810452 0.369787796
+C      3.94384657     -1.10881326      0.05457683
+O      3.03027374     -0.22084048     -0.59856834
+C      3.31710729      1.10455371     -0.51471565
+C      4.33996907      1.70087794      0.12822874
+C      4.49113836      3.16496125      0.11123008
+C      5.27839979      3.89283994      1.12588688
+O      5.82096554      3.69242459     -0.19018975
+H      3.56256496     -2.11973824     -0.12452003
+H      3.97806599     -0.90888369      1.13792481
+H      4.95616022     -1.01059041     -0.36958880
+H      2.56732837      1.68417173     -1.05966615
+H      5.09965141      1.12865614      0.66276347
+H      3.68432323      3.71966430     -0.38471939
+H      5.76940445      3.32641370      1.92587715
+H      5.01368101      4.92693279      1.37542016 
+
+15
+-1526.2711882905069 10.479438 11.47343 -8.816 -6.7265 -9.226 0.9125 0.0314 1.096 8.6662 -0.53439 6.1402082724 6.1402082724 0.34589321
+C      1.66780749      0.11513913     -1.18059579
+O      2.97066782      0.21953931     -0.60352211
+C      3.38142651      1.48111992     -0.25987884
+C      2.69468424      2.62665177     -0.40310469
+C      4.75501725      1.40089291      0.32460559
+C      5.92455879      1.99488865     -0.35855207
+O      5.33942509      2.61926121      0.80012983
+H      1.50876894     -0.95065697     -1.37785414
+H      1.60772976      0.68228218     -2.12368946
+H      0.89885554      0.48533871     -0.48310525
+H      1.70089861      2.67494855     -0.84036111
+H      3.15852352      3.54742292     -0.05664697
+H      4.92474252      0.52288140      0.95974240
+H      5.76048101      2.52444221     -1.30242375
+H      6.91805290      1.56110810     -0.20332365 
+
+17
+-1664.4802558412946 10.491989 11.81987 -9.6879 -7.5305 -11.609 0.9283 0.0191 2.632 11.03251 -2.31088 9.0716960606 11.3191034924 0.145812382
+C      4.16460229     -0.77303487      0.26543875
+O      3.63067325      0.23003524      1.12370793
+C      3.41821671      1.49282212      0.47795412
+C      2.53237609      2.32317941      1.39541659
+C      4.73975044      2.19703723      0.20927362
+C      5.40319247      2.16883118     -1.10555309
+O      4.67584388      3.33494285     -0.67641915
+H      4.17543626     -1.70602265      0.84297529
+H      5.19414400     -0.54580027     -0.06187708
+H      3.53094329     -0.91310660     -0.63083666
+H      2.90816801      1.33428589     -0.49509722
+H      3.01305075      2.44894352      2.37626150
+H      1.56553545      1.82544461      1.54440611
+H      2.36094859      3.31474176      0.95666878
+H      5.36276730      2.35091951      1.10110697
+H      4.94033471      1.61105778     -1.92757456
+H      6.48971649      2.29305331     -1.16677187 
+
+17
+-1731.463133293291 13.733517 13.61707 -7.7455 -5.8233 -8.129 0.9994 -0.4584 0.326 7.62109 0.21685 4.8594700882 4.8594700882 0.696583096
+C      1.18945207     -0.09502066     -0.69962122
+O      2.58680569     -0.20582008     -0.41012446
+C      3.23909434      0.98714821     -0.29764692
+C      4.57556950      1.07547043     -0.08337348
+C      5.44528214     -0.14593514      0.03452550
+C      5.15829576      2.40293552      0.03353214
+C      6.46088466      2.68294075      0.24693334
+H      0.79478999     -1.11707171     -0.72252357
+H      1.02545666      0.38175604     -1.67995104
+H      0.66689218      0.48027024      0.08222855
+H      2.61485705      1.88371306     -0.38346108
+H      4.86561686     -1.06370833     -0.11396932
+H      5.92089900     -0.19342372      1.02667762
+H      6.25503598     -0.12107154     -0.71124414
+H      4.45710696      3.24014768     -0.06399052
+H      7.21332432      1.89997635      0.35528108
+H      6.80694684      3.71374291      0.31866751 
+
+15
+-1573.198862055794 12.903764 13.35682 -8.0441 -6.0539 -8.294 1.0769 -0.4169 0.595 7.85891 -0.04764 4.065252968 5.6325847912 0.341558837
+C      0.90237064      0.27464139     -0.56528119
+O      2.29848817      0.06583239     -0.31839099
+C      3.04062707      1.20640679     -0.26519175
+C      4.38150546      1.18200353     -0.06070892
+C      5.16098668     -0.09926777      0.11972622
+C      5.08755843      2.41233885     -0.00948160
+C      5.75010516      3.43436497      0.04755277
+H      0.43798422     -0.71754286     -0.56993032
+H      0.74257006      0.75816814     -1.54219112
+H      0.44841439      0.88727395      0.22998347
+H      2.50066079      2.14904489     -0.39340999
+H      4.50731032     -0.97278824      0.01710030
+H      5.63386432     -0.12689284      1.11267346
+H      5.96623968     -0.16807698     -0.62601704
+H      6.32093461      4.33850380      0.09385669 
+
+17
+-1733.2564899337133 13.694919 13.92024 -7.739 -5.7779 -8.033 1.2674 -0.2139 0.341 7.63282 0.24962 4.7898147534 4.7898147534 0.707019071
+C      3.58973466     -1.22885147      0.11455045
+O      2.68091146     -0.18858605      0.48488824
+C      3.12281411      1.08826184      0.31721650
+C      4.31971846      1.50530451     -0.15760580
+C      4.65059867      2.90973555     -0.27983419
+C      5.82237096      3.39530057     -0.74215774
+C      6.15658655      4.84880262     -0.86422409
+H      3.06909561     -2.17149459      0.31599141
+H      4.51294726     -1.17720851      0.71465293
+H      3.84540714     -1.16553236     -0.95584737
+H      2.35028946      1.79495374      0.63037725
+H      5.07795516      0.78129964     -0.46512953
+H      3.87758210      3.62364807      0.03261539
+H      6.59716910      2.68492307     -1.05521906
+H      5.32367901      5.48256736     -0.52770444
+H      6.39265366      5.12286265     -1.90601417
+H      7.04563665      5.11035335     -0.26644578 
+
+19
+-1870.2429028625634 12.504434 13.65381 -8.4319 -6.3872 -8.915 0.8853 0.0225 1.312 8.44393 -0.73165 6.0436107798 6.0436107798 0.32819493
+C      3.23143550     -1.19623914      0.92057729
+O      2.93717477     -0.43833341     -0.25302869
+C      3.62278839      0.73651375     -0.39762851
+C      4.54339506      1.27622407      0.41828883
+C      5.21938428      2.59331331      0.12738596
+C      4.90779081      3.62974017      1.22178793
+C      6.73954432      2.41417454     -0.03386696
+H      2.59872058     -2.08942490      0.87258862
+H      2.99637960     -0.62148847      1.83234996
+H      4.29364358     -1.49298528      0.94469680
+H      3.31488478      1.22871961     -1.32431125
+H      4.83992507      0.76955913      1.34164350
+H      4.81846374      2.97646726     -0.82842883
+H      5.28110567      3.28719167      2.20042641
+H      3.82522758      3.79507525      1.31426422
+H      5.38860579      4.59496728      1.00071399
+H      7.18644041      2.02244722      0.89416844
+H      7.22870394      3.37398565     -0.26017153
+H      6.97187614      1.70774229     -0.84305618 
+
+17
+-1732.5740712145373 13.117801 13.27248 -7.9099 -6.0061 -8.277 1.0364 -0.4612 0.285 7.78086 0.25829 4.9462106938 4.9462106938 0.679650778
+C      5.09431157     -0.31444048     -0.47168882
+O      3.68983561     -0.04399604     -0.49455575
+C      3.29515298      1.18081632     -0.04963263
+C      4.07178527      2.18703668      0.41388640
+C      3.55034648      3.47132868      0.87267904
+C      2.06021611      3.70904470      0.84133784
+C      4.39181081      4.43149168      1.31917528
+H      5.21055905     -1.33356916     -0.85627327
+H      5.49052531     -0.25610198      0.55516525
+H      5.64279329      0.39183071     -1.11605519
+H      2.20873604      1.26000850     -0.11535688
+H      5.15590550      2.06389921      0.46071615
+H      1.66234955      3.62051317     -0.18189520
+H      1.81739302      4.71142746      1.21520009
+H      1.52503367      2.97362603      1.46263585
+H      5.47175681      4.27402149      1.34774175
+H      4.01855893      5.39590303      1.66581010 
+
+15
+-1577.2645951604889 13.533225 14.49371 -7.8222 -5.8841 -8.141 1.1855 -0.3508 0.636 7.77571 -0.06999 3.8563861524 5.6186859606 0.391038539
+C      0.97366760      0.00362516     -0.57322740
+O      2.36479625     -0.06454229     -0.23688558
+C      3.01167669      1.13315601     -0.25011814
+C      4.34316173      1.21761633     -0.02941235
+C      5.04881231      2.44138287     -0.01361515
+C      5.70448062      3.47125913      0.01167243
+C      6.47847887      4.70181806      0.04096752
+H      0.57863061     -1.01200462     -0.46019768
+H      0.83514155      0.33655272     -1.61457964
+H      0.43479833      0.68240526      0.10749986
+H      2.39804196      2.02040458     -0.43827174
+H      4.90016162      0.29266365      0.14909233
+H      5.82882568      5.58176297     -0.08014882
+H      7.22607947      4.72699051     -0.76725650
+H      7.01621672      4.81497965      0.99520086 
+
+17
+-1724.8859432535794 12.621247 13.46067 -8.5406 -6.4925 -8.906 1.4421 -0.0673 0.912 8.4422 -0.51299 5.858462486 5.858462486 0.537825259
+C      4.98781818     -0.69796699      1.28720999
+O      3.62936355     -0.42962174      0.93460444
+C      3.36692304      0.83006777      0.47862796
+C      4.22115654      1.85394541      0.30809251
+C      3.77454592      3.20109273     -0.20267729
+C      4.01864053      4.30436096      0.79511610
+C      4.80692680      5.36502625      0.58609374
+H      5.01303404     -1.73746477      1.63309358
+H      5.32531684     -0.02765982      2.09517954
+H      5.65240248     -0.57919183      0.41524365
+H      2.30324713      0.92309234      0.24237352
+H      5.28037047      1.75231659      0.55323677
+H      2.69735662      3.15609391     -0.44210243
+H      4.29810769      3.44876881     -1.14262469
+H      3.51311237      4.18884839      1.76081954
+H      5.33078617      5.50304916     -0.36384960
+H      4.95257162      6.13046285      1.34968266 
+
+15
+-1567.961916475188 11.914657 13.04976 -8.7396 -6.6768 -9.02 0.916 0.0172 1.059 8.59335 -0.50095 4.3555413898 10.7407459982 0.86509845
+C      3.65885771     -0.99709962      0.27802409
+O      2.66585857      0.02999969      0.34161366
+C      3.11574304      1.30928923      0.20446396
+C      4.37759858      1.73506581      0.02985309
+C      4.70575948      3.20511163     -0.09743060
+C      5.37006050      3.54172711     -1.35688745
+C      5.93042887      3.80978788     -2.40001998
+H      3.12306989     -1.94460756      0.40088058
+H      4.39908075     -0.87988779      1.08670782
+H      4.17635670     -0.98406838     -0.69512802
+H      2.27408042      2.00519813      0.25800835
+H      5.21321626      1.03780951     -0.03823615
+H      5.35986310      3.52324171      0.73454965
+H      3.78371817      3.80290540     -0.00365278
+H      6.42067794      4.04636725     -3.32197623 
+
+17
+-1733.8949099663796 13.201692 13.6268 -8.1965 -6.2211 -8.254 0.9513 -0.5349 0.401 7.69977 0.14765 5.0342779496 5.0342779496 0.721179032
+C      1.07341942      0.04541674     -0.29591881
+O      2.49345973      0.15975118     -0.22657399
+C      3.00269584      1.42323699     -0.06518308
+C      2.25984811      2.55169619      0.03097060
+C      4.46398987      1.44646053     -0.00376050
+C      5.26633965      0.36943782     -0.08634122
+C      6.75912133      0.41886251     -0.02055605
+H      0.86241494     -1.02225747     -0.42483178
+H      0.67055176      0.60842624     -1.15398789
+H      0.59935221      0.40706719      0.63146097
+H      1.17418206      2.56224004     -0.01089681
+H      2.76926745      3.50435180      0.15751323
+H      4.90105013      2.44164357      0.12063527
+H      4.80417239     -0.61431841     -0.21002232
+H      7.12982893      1.44641247      0.09939383
+H      7.21034651     -0.00552495     -0.93228953
+H      7.13901969     -0.18419244      0.82034808 
+
+19
+-1872.9102980741668 12.293424 13.38923 -8.591 -6.5356 -9.077 0.909 0.0343 1.338 8.45004 -0.74743 6.1930263084 6.1930263084 0.351223002
+C      3.93571695      2.62152384     -3.09503832
+O      4.97514884      2.16479125     -2.23119773
+C      4.61948401      1.86290151     -0.94047611
+C      3.37511408      1.96185636     -0.43570483
+C      5.82138032      1.39590381     -0.14649291
+C      6.40154799      0.09207704     -0.72163446
+C      6.89751587      2.49168211     -0.05765384
+H      4.40826375      2.81257953     -4.06533465
+H      3.48369945      3.55148154     -2.71254811
+H      3.15044006      1.85607843     -3.20862584
+H      2.51708275      2.29586748     -1.01454218
+H      3.20495775      1.69553114      0.60531656
+H      5.45107762      1.19072537      0.87100320
+H      6.77789128      0.25044063     -1.74219859
+H      5.63995126     -0.69980523     -0.75644551
+H      7.23719841     -0.26135820     -0.10010231
+H      7.29662244      2.72699812     -1.05443626
+H      7.73257553      2.15656918      0.57469898
+H      6.48861164      3.41621609      0.37418291 
+
+17
+-1730.1947052046253 12.355749 13.0237 -8.46 -6.4389 -8.709 0.9688 -0.5368 0.583 8.10528 -0.11916 5.2620526302 6.6006798778 0.447191484
+C      2.07350792     -0.48089516     -0.50793278
+O      3.36795446      0.11194313     -0.41953407
+C      3.42448333      1.40637152      0.04108369
+C      2.35641465      2.14205841      0.41493518
+C      4.82389390      1.90951650      0.03930851
+C      5.69875835      1.48955665     -1.11371416
+C      5.27042575      2.69683390      1.03350655
+H      2.22826547     -1.48277326     -0.92392137
+H      1.41561823      0.10290943     -1.17288357
+H      1.60435851     -0.56108164      0.48654483
+H      1.34109605      1.75289608      0.42504064
+H      2.50477806      3.17820322      0.70781069
+H      5.79805490      0.39512944     -1.14945137
+H      6.69844006      1.93279455     -1.02520254
+H      5.25793581      1.79766992     -2.07483231
+H      4.64072790      2.94808147      1.88761874
+H      6.28422665      3.10070585      1.01625335 
+
+15
+-1576.5250220256244 12.729129 13.91108 -8.4307 -6.4145 -8.472 1.1238 -0.4135 0.611 7.95408 -0.07123 3.9606831756 10.6155821312 0.484045715
+C      1.08722198     -0.12800621     -0.21268650
+O      2.51229786     -0.03989043     -0.19833893
+C      3.03799587      1.21613191      0.00635783
+C      2.32474658      2.35108780      0.19063982
+C      4.46494654      1.19191824      0.00320499
+C      5.68217121      1.16844574     -0.00019793
+C      7.13430204      1.13727029     -0.00450636
+H      0.85565692     -1.18490911     -0.38477116
+H      0.65899322      0.48345125     -1.02426210
+H      0.65904397      0.19449970      0.75093361
+H      1.23791655      2.37228050      0.19324966
+H      2.85758334      3.28572515      0.34332800
+H      7.55175738      2.15479671     -0.02192795
+H      7.51499878      0.60139754     -0.88688754
+H      7.52291775      0.62887093      0.89083456 
+
+17
+-1727.3296751945563 12.344271 13.21494 -8.6858 -6.6325 -9.107 1.271 -0.0365 1.054 8.47814 -0.70018 6.073392217 6.073392217 0.374357284
+C      1.85204097     -0.16253874     -1.00998929
+O      3.12932071      0.38419249     -0.68020833
+C      3.14449989      1.66889833     -0.20014760
+C      2.06893893      2.46157754     -0.04434770
+C      4.55809122      2.07897058      0.13967476
+C      5.13988266      1.29692408      1.28934122
+C      5.65894144      1.84484951      2.39270669
+H      2.04089535     -1.18370202     -1.35916734
+H      1.36727943      0.42030655     -1.81049250
+H      1.19278432     -0.18530984     -0.12674758
+H      1.05636875      2.15151304     -0.29199639
+H      2.20488290      3.46521261      0.35223594
+H      4.57785530      3.15465333      0.36138304
+H      5.17896342      1.91127146     -0.75922477
+H      5.12317377      0.20801675      1.18019357
+H      5.68837426      2.92842508      2.53470530
+H      6.07371668      1.22908925      3.19211097 
+
+15
+-1569.9061890093533 11.769429 12.81798 -8.8809 -6.8159 -9.189 0.9333 -0.0225 1.094 8.60564 -0.52983 4.3701593392 10.7300212092 0.812320988
+C      1.60104480     -0.01929366     -0.54283028
+O      2.97384546      0.36576822     -0.45298617
+C      3.22486265      1.64205208     -0.03715490
+C      2.30842275      2.58338792      0.24730033
+C      4.72006664      1.87708468      0.04940615
+C      5.37307081      1.11044792      1.10750593
+C      5.91982476      0.48482753      1.99141980
+H      1.60261894     -1.06642555     -0.86447789
+H      1.06529013      0.59666386     -1.28345882
+H      1.10330210      0.07034921      0.43634908
+H      1.23722114      2.41104114      0.17421280
+H      2.63903504      3.56602138      0.57584010
+H      4.89914814      2.95091111      0.20499200
+H      5.17308655      1.61069611     -0.92106190
+H      6.39827009     -0.06842196      2.77315376 
+
+17
+-1730.0348037439612 13.04783 13.31639 -8.0916 -6.1286 -8.207 0.8329 -0.68 0.363 7.69185 0.18126 4.9505006094 4.9505006094 0.680171999
+C      2.58663395     -0.56555694      0.98487210
+O      2.12555999      0.74790290      0.69000925
+C      3.06105746      1.68430580      0.30396453
+C      2.44746980      2.98806598      0.05533671
+C      1.13726291      3.26225739      0.18250198
+C      4.38699049      1.41818795      0.17484427
+C      5.46203857      2.37863771     -0.23574484
+H      1.69786830     -1.13470919      1.28130938
+H      3.31252008     -0.56107550      1.81560261
+H      3.04767537     -1.04066399      0.10227177
+H      3.12903419      3.78176926     -0.25333136
+H      0.42313478      2.49803615      0.48858198
+H      0.75680119      4.26312483     -0.01999785
+H      4.73258872      0.40486342      0.38618286
+H      5.09110246      3.39047399     -0.43692941
+H      5.97524010      2.02826348     -1.14639928
+H      6.23494164      2.46015675      0.54590530 
+
+15
+-1570.0915938842588 12.567988 13.01473 -8.2025 -6.236 -8.389 0.9445 -0.6358 0.562 7.93809 -0.011 4.1039118028 5.6783356252 0.37368722
+C      1.97016152     -0.78929175     -0.59094863
+O      1.67369845      0.44676355      0.07343632
+C      2.59210109      1.47317782     -0.06411662
+C      2.19775203      2.75240485      0.14530809
+C      0.80200648      3.17476006      0.46781558
+C      3.94490906      1.14367007     -0.36998265
+C      5.09364571      0.84442297     -0.64085540
+H      1.13269269     -1.45559864     -0.35432404
+H      2.90922212     -1.23010291     -0.22434802
+H      2.03480286     -0.65019285     -1.68188402
+H      2.97715679      3.51364858      0.09060077
+H      0.09292917      2.34782177      0.34220028
+H      0.48856536      4.01296701     -0.17396652
+H      0.72544887      3.53197535      1.50876818
+H      6.11015777      0.59700412     -0.86826331 
+
+17
+-1717.8342859592299 12.387456 13.12417 -9.6744 -7.4772 -9.327 0.9813 -0.6351 0.845 8.88596 -0.4144 6.223415277 6.223415277 0.459628977
+C      1.10705959     -0.52963888      0.34144920
+O      2.49885944     -0.23671699      0.42237448
+C      2.79436168      1.15800511      0.19269493
+C      2.34617227      2.00126208      1.36244892
+C      1.42445720      2.96755831      1.28943102
+C      4.28312805      1.25292640     -0.00217678
+C      4.87011666      1.84180461     -1.04764511
+H      1.00646786     -1.60908499      0.51056191
+H      0.70388116     -0.28213059     -0.65889153
+H      0.52041959      0.01397522      1.10201964
+H      2.27612078      1.50182809     -0.72600327
+H      2.82286321      1.76175197      2.31943597
+H      0.93692119      3.21631474      0.34294095
+H      1.13265285      3.54933754      2.16521985
+H      4.88509110      0.80786154      0.79686323
+H      4.28346728      2.28744122     -1.85481112
+H      5.95595007      1.90331462     -1.13127229 
+
+15
+-1559.2701056657197 11.900081 12.84572 -9.9161 -7.7083 -9.436 1.2203 -0.4676 1.045 9.03057 -0.51584 4.3457340972 10.663849881 0.427794958
+C      2.55225699     -0.82877026     -0.92302407
+O      2.28704039      0.02368992      0.18968874
+C      2.83847014      1.34093264      0.02760075
+C      2.34847007      2.17822623      1.18363648
+C      1.65131551      3.30655658      1.03375259
+C      4.30974209      1.32246244     -0.01439492
+C      5.52343878      1.30241238     -0.04165450
+H      2.05900621     -1.78352582     -0.70420507
+H      3.63414944     -0.99798768     -1.05911465
+H      2.13419807     -0.40984906     -1.85759707
+H      2.46946741      1.78185702     -0.92236147
+H      2.61322538      1.79865254      2.17409810
+H      1.38841854      3.68869089      0.04445477
+H      1.32422093      3.88987935      1.89515818
+H      6.59415006      1.28614283     -0.06380785 
+
+19
+-1870.895519663062 12.624821 13.55338 -8.0929 -6.0282 -8.372 0.8611 -0.0345 1.466 7.83391 -0.79701 5.6107012622 5.7865754032 0.235997511
+C      1.35368132     -0.11138938     -0.71334506
+O      2.46140905      0.09453953      0.16624040
+C      3.11190962      1.32555287      0.05829010
+C      2.20985000      2.52767458      0.07900536
+C      4.46441650      1.32269487      0.03932097
+C      5.25156702      0.03816430      0.03287995
+C      5.30740457      2.56986108      0.05355607
+H      1.03304205     -1.14931601     -0.55866062
+H      1.64916644      0.02149568     -1.76892657
+H      0.50627448      0.55751158     -0.48770687
+H      1.49209559      2.44817515      0.91101296
+H      1.62509630      2.62427774     -0.84936198
+H      2.77319351      3.45703826      0.20671001
+H      4.60133866     -0.83956864     -0.04381814
+H      5.84989606     -0.05670998      0.95512913
+H      5.96787997      0.02694043     -0.80579634
+H      4.72993256      3.49992465      0.09656920
+H      5.94376738      2.61521308     -0.84638310
+H      5.99471892      2.56207022      0.91675454 
+
+17
+-1734.1016221133304 13.459608 13.46783 -7.8283 -5.8883 -8.073 1.0561 -0.4126 0.323 7.56653 0.27124 4.7879549634 4.7879549634 0.722709922
+C      2.79759853     -0.12270697     -0.24220085
+O      1.95854215      1.02001954     -0.06469387
+C      2.55203176      2.25695010     -0.03254813
+C      1.49749441      3.30110024      0.16924828
+C      3.88966045      2.46278545     -0.16666108
+C      4.55539107      3.74711522     -0.13564832
+C      5.88561033      3.92262388     -0.28158914
+H      2.12622704     -0.98854442     -0.23326944
+H      3.52742502     -0.21222516      0.57853080
+H      3.33180157     -0.07959768     -1.20501547
+H      0.96777281      3.12441201      1.11729272
+H      0.75086254      3.24112921     -0.63655166
+H      1.91400463      4.31237466      0.18459916
+H      4.54108510      1.59871394     -0.31217332
+H      3.93622121      4.63586508      0.01828867
+H      6.55941496      3.07676680     -0.43806255
+H      6.33307643      4.91542810     -0.24827581 
+
+15
+-1574.1504042325369 12.833394 13.01691 -8.0019 -6.0069 -8.188 1.0763 -0.4008 0.573 7.75893 0.00520999999998 4.0158941414 5.6166029958 0.341643686
+C      1.28951489     -0.42739057     -0.68897436
+O      2.65371842     -0.22101409     -0.30929232
+C      3.11009653      1.06441783     -0.15961114
+C      2.13268351      2.19063607     -0.04724971
+C      4.46018089      1.21362581     -0.07938291
+C      5.11348497      2.44432607      0.13570909
+C      5.71479680      3.49018029      0.31996496
+H      1.15809810     -1.51486209     -0.72212022
+H      1.08048494     -0.00954267     -1.68696013
+H      0.58558365     -0.00314488      0.04326504
+H      1.45257532      2.04790363      0.80706814
+H      1.51301792      2.28949492     -0.95143611
+H      2.68106484      3.12768865      0.09911220
+H      5.07721927      0.31697832     -0.17841250
+H      6.23763995      4.40936269      0.48396997 
+
+19
+-1864.938880912547 12.14396 13.0838 -9.4199 -7.3758 -9.65 1.4743 -0.1137 1.25 9.06943 -0.66725 6.6702484224 6.6702484224 0.409461339
+C      3.04448346     -0.43912647      1.12732005
+O      2.65966133      0.33208412     -0.00776065
+C      2.99433323      1.75007233      0.05021608
+C      2.43540508      2.30359107     -1.26722158
+C      2.31587624      2.43171202      1.24297438
+C      4.50441905      1.88729875      0.04055583
+C      5.26402065      2.57449705      0.90037623
+H      2.87487717     -1.48849610      0.85275183
+H      2.43340974     -0.20750498      2.01779341
+H      4.11005209     -0.30423723      1.38268998
+H      2.89318534      1.78522997     -2.12069378
+H      2.64270784      3.37843525     -1.35330066
+H      1.34903845      2.14132714     -1.30662301
+H      2.71059996      2.07843758      2.20525612
+H      1.23674675      2.22661836      1.21300188
+H      2.45933815      3.52013593      1.19868604
+H      4.98228494      1.34481686     -0.78370693
+H      4.83891671      3.12990688      1.73888702
+H      6.34875382      2.61129145      0.78731776 
+
+17
+-1704.797832829659 11.780041 12.99999 -9.5899 -7.4436 -9.693 0.8737 -0.0339 2.323 9.53305 -1.89343 4.3657826334 10.9977069832 0.539651669
+C      1.07802718     -0.30555325      0.01635400
+O      2.47886026     -0.05211753      0.01722724
+C      2.87569427      1.34706191     -0.00022856
+C      2.39039447      2.05651349     -1.28055836
+C      2.38984620      2.08767861      1.26215461
+C      4.34655803      1.31054290      0.00045497
+C      5.55920425      1.32991099      0.00034625
+H      0.97806459     -1.39836548      0.03323747
+H      0.57545977      0.07486370     -0.89013192
+H      0.56903319      0.10314147      0.90680642
+H      2.70822210      1.49180101     -2.16644289
+H      2.82082883      3.06486883     -1.33497515
+H      1.29607091      2.15381729     -1.28499435
+H      2.70809938      1.54518948      2.16164872
+H      1.29543660      2.18411577      1.26417289
+H      2.81939572      3.09745637      1.29166893
+H      6.63011424      1.33192442      0.00044975 
+
+19
+-1868.6811874434848 12.528024 13.77178 -9.3476 -7.223 -9.205 0.9742 0.0582 1.312 8.65973 -0.68601 6.323719951 6.323719951 0.39112411
+C      4.39202969     -0.11235921      2.11080665
+O      3.59140117      1.06343405      2.09618799
+C      3.43393068      1.62386684      0.77490864
+C      2.31870666      2.65902409      0.88245005
+C      4.72145403      2.22704585      0.27941138
+C      5.38107705      1.82999455     -0.81732239
+C      6.65283900      2.43224729     -1.33109329
+H      4.42802781     -0.45576491      3.15251376
+H      5.42018992      0.07785661      1.75548041
+H      3.94674273     -0.90935358      1.48385339
+H      3.12444801      0.81470325      0.07998172
+H      2.60803890      3.45928922      1.57882370
+H      1.39936802      2.18898989      1.25711409
+H      2.11781115      3.10678152     -0.09991281
+H      5.12064104      3.04786501      0.88943546
+H      4.96189536      1.00266297     -1.40498231
+H      7.01425243      3.23546611     -0.67428631
+H      6.51396586      2.85113261     -2.34096596
+H      7.44638050      1.67270783     -1.41700417 
+
+21
+-2009.4698736142645 12.286927 13.70322 -9.4507 -7.3214 -11.465 0.9162 0.0112 2.969 10.72845 -2.65512 9.1877097608 10.308382019 0.1164804
+C      1.53583389     -0.43496178      0.69269586
+O      2.83987379      0.08162592      0.90348822
+C      3.04164043      1.39563626      0.35317540
+C      2.34038983      2.47409799      1.18189623
+C      4.56345563      1.61392430      0.21779661
+C      5.30377980      1.52877702      1.55979018
+C      5.16596425      0.64037782     -0.80285760
+H      1.54341419     -1.47477695      1.04570529
+H      1.26437057     -0.42457012     -0.38084534
+H      0.76167140      0.11844534      1.25497814
+H      2.61404257      1.40778300     -0.67255067
+H      2.68795673      2.45870915      2.22382410
+H      1.25083861      2.33361359      1.18447565
+H      2.54166896      3.46972755      0.76042330
+H      4.68124210      2.63962885     -0.17712574
+H      5.17345598      0.53520294      2.01188242
+H      4.94910050      2.27998815      2.27936672
+H      6.38035640      1.69698243      1.41095883
+H      5.05688972     -0.39784482     -0.45797492
+H      6.23713294      0.84155427     -0.95022692
+H      4.66880171      0.72728907     -1.78108577 
+
+19
+-1868.1632756952106 12.216947 13.2273 -9.4941 -7.3146 -9.299 1.2607 -0.0118 1.325 8.66068 -0.69273 6.3931273138 6.3931273138 0.370348794
+C      4.98153598     -0.11537912      2.02604857
+O      4.01204300      0.92623956      2.06092674
+C      3.86879919      1.60408026      0.79772426
+C      2.59444992      2.43802337      0.90031137
+C      5.10197133      2.43271723      0.46244786
+C      5.51767760      3.47562141      1.46462672
+C      5.77699113      2.21358100     -0.67598063
+H      4.98487500     -0.57562209      3.02227288
+H      5.99385553      0.26202812      1.79590212
+H      4.71779224     -0.88340952      1.27374463
+H      3.74120600      0.84378882     -0.00024633
+H      2.66008666      3.15154768      1.73295983
+H      1.73343676      1.78093641      1.08104366
+H      2.42719548      2.99619424     -0.03069058
+H      5.62315370      3.03032321      2.46566757
+H      4.75993077      4.27006387      1.55398725
+H      6.46950991      3.94266562      1.18124135
+H      5.46413446      1.44066567     -1.38212508
+H      6.65575535      2.80471426     -0.94367219 
+
+17
+-1711.8631865984198 12.332695 14.22033 -9.3791 -7.1207 -9.172 0.875 -0.0098 2.446 8.73626 -1.98571 4.1663883482 10.0485197616 0.29230524
+C      1.10898942     -0.26731182     -0.14421894
+O      2.44434070     -0.02933590      0.28145125
+C      2.90061560      1.30654120     -0.02061787
+C      2.33781785      2.34520392      0.96196508
+C      4.36275686      1.29793169     -0.00936347
+C      5.57741245      1.33308559      0.00729731
+C      7.03174375      1.35674364      0.02675796
+H      0.90795169     -1.33005058      0.04128893
+H      0.98635023     -0.06281046     -1.22519317
+H      0.36768508      0.33265542      0.41461630
+H      2.56181940      1.56329615     -1.04704851
+H      2.65765821      2.10082190      1.98344652
+H      1.24018999      2.36759968      0.92390168
+H      2.70963732      3.34641042      0.70569451
+H      7.40979073      2.38967534      0.05467505
+H      7.45202404      0.86859310     -0.86511619
+H      7.42253670      0.83443072      0.91270357 
+
+19
+-1865.3056387375862 12.461784 13.68807 -9.4809 -7.2508 -9.431 0.9825 0.0515 1.453 8.88598 -0.89001 6.6783447082 6.6783447082 0.463982569
+C      1.43106291      2.01997651      2.84104806
+O      2.65754062      2.55091620      2.35940609
+C      2.86090835      2.35774015      0.94939442
+C      2.00018971      3.30349204      0.11068706
+C      4.35981625      2.57471299      0.69213775
+C      5.24028032      1.57254008      1.37902064
+C      6.14568097      0.80230264      0.76483700
+H      1.45893068      2.10164840      3.93548143
+H      1.31600418      0.95490556      2.56292563
+H      0.55121028      2.57682801      2.47021974
+H      2.60406992      1.30675264      0.69948003
+H      2.25975939      4.35003956      0.32797361
+H      0.92984238      3.16276622      0.31271370
+H      2.16045477      3.11918144     -0.96125275
+H      4.60353457      3.59192507      1.04941688
+H      4.54206356      2.55754809     -0.39393970
+H      5.10445145      1.48860367      2.46202233
+H      6.30845569      0.86063768     -0.31516339
+H      6.75992401      0.09143304      1.31986146 
+
+17
+-1709.5673977276824 11.867213 13.22969 -9.7147 -7.52 -9.845 0.9432 0.0324 2.284 9.43539 -1.89323 4.3577111448 10.4313637324 0.600841083
+C      2.30877775      0.15753815      2.42385354
+O      3.37668341      1.03347580      2.08810842
+C      3.09731118      1.87826268      0.96300530
+C      2.10101603      2.98724567      1.29142833
+C      4.47237076      2.43075094      0.53610451
+C      4.43152080      3.21062459     -0.69186060
+C      4.38576013      3.85202786     -1.72175075
+H      2.68488489     -0.51031730      3.20916965
+H      1.99808885     -0.45078322      1.55327025
+H      1.42551229      0.69498793      2.81219869
+H      2.69955459      1.25526041      0.13594090
+H      2.46781190      3.58674170      2.13794283
+H      1.11459527      2.58112386      1.55216734
+H      1.97374018      3.64771368      0.42280337
+H      5.15866609      1.57765845      0.41517715
+H      4.87322462      3.04431935      1.36075153
+H      4.35147127      4.42149948     -2.62781047 
+
+13
+-1397.7872138653483 11.328881 12.52564 -10.1684 -7.9505 -9.629 1.306 -0.3724 1.722 9.32312 -1.44362 4.3651875006 10.864025278 0.384757947
+C      1.10962781     -0.14122133     -0.45373318
+O      2.50348158     -0.05916380     -0.15180656
+C      2.95986924      1.30008292     -0.06341296
+C      2.38027823      2.01954519      1.08509666
+C      1.86350966      2.60193473      2.01480845
+C      4.42395630      1.29472829     -0.00524650
+C      5.63453252      1.32222976      0.02323227
+H      0.88015537     -1.20985043     -0.53772243
+H      0.87741023      0.35797567     -1.41288455
+H      0.49242135      0.30480332      0.34417731
+H      2.65582682      1.84233944     -0.98628873
+H      1.42014731      3.11307516      2.84517540
+H      6.70494360      1.33626109      0.05553483 
+
+19
+-1867.303421499322 12.784179 14.03666 -9.0244 -6.8683 -8.832 0.8827 -0.0026 1.462 8.23508 -0.78732 6.122552666 6.122552666 0.395344702
+C      0.90518043      0.58478326      1.13768749
+O      2.31610287      0.73200496      1.15823469
+C      2.78073759      1.49512989      0.03663940
+C      4.27440594      1.52841298      0.05483529
+C      5.07620223      2.61051570      0.04983713
+C      4.60046437      4.03921106      0.05155822
+C      6.57433163      2.45082894      0.03282285
+H      0.62992530     -0.01823029      2.01232522
+H      0.56083936      0.06878794      0.22004595
+H      0.39014104      1.56349468      1.19904736
+H      2.33632979      2.50831030      0.06007916
+H      2.42735340      1.00887994     -0.89889967
+H      4.74453271      0.53916830      0.06364233
+H      3.51285869      4.13718436      0.14605572
+H      4.90850051      4.55199843     -0.87489805
+H      5.06733928      4.59328109      0.88210279
+H      6.87320273      1.39461543      0.03988443
+H      7.03111845      2.94703367      0.90501556
+H      7.01160368      2.92731935     -0.86047588 
+
+17
+-1724.7290979203624 13.758091 14.14708 -8.7088 -6.6723 -8.426 0.5569 -0.9976 0.312 7.93695 0.24256 5.1272178552 5.1272178552 0.8408129
+C      1.20743507      2.78036392     -0.44042206
+O      2.51062996      2.49750612     -0.92910931
+C      3.36288746      2.00137278      0.10683030
+C      4.68696720      1.63233926     -0.47492685
+C      5.86932543      2.08532882     -0.01290554
+C      7.16134097      1.69420184     -0.54529890
+C      8.34099114      2.14130482     -0.07443500
+H      0.61859531      3.15109734     -1.28868707
+H      1.22778712      3.55499788      0.34996129
+H      0.72081343      1.87483300     -0.02946788
+H      2.88995752      1.10701194      0.56882321
+H      3.48385681      2.75914526      0.90724608
+H      4.66249245      0.93458057     -1.31896313
+H      5.87701916      2.79501796      0.82362127
+H      7.15070105      0.99131314     -1.38578303
+H      8.38780476      2.84142142      0.76315103
+H      9.28778517      1.82246392     -0.51008440 
+
+15
+-1566.7433252780265 12.811072 13.61522 -8.8912 -6.7521 -8.487 0.7558 -0.8232 0.636 8.07687 -0.07477 4.0789286238 11.3799558212 0.710636538
+C      2.17237074     -0.84007395     -0.20618582
+O      3.41150429     -0.14503838     -0.22774034
+C      3.24819800      1.23582245      0.04154457
+C      4.55818200      1.95159324      0.02818729
+C      5.74854003      1.36102390     -0.19912900
+C      6.98630948      2.04957129     -0.20880063
+C      8.07017940      2.60512274     -0.22404713
+H      2.39110415     -1.89217188     -0.42621372
+H      1.47415207     -0.44838905     -0.96965274
+H      1.68613542     -0.77112591      0.78514213
+H      2.75920745      1.38270423      1.03030568
+H      2.56758047      1.69906187     -0.70700321
+H      4.50891814      3.02671161      0.22056932
+H      5.77359912      0.28442316     -0.38956837
+H      9.01875924      3.10104469     -0.23593804 
+
+17
+-1723.7319610629079 12.832387 13.26257 -8.7546 -6.7133 -8.567 0.5948 -0.952 0.316 8.00532 0.20824 5.260663987 5.260663987 0.747216108
+C      2.66581195     -0.85866249      0.19907714
+O      4.00323875     -0.39316356      0.10161065
+C      4.05996099      1.02368516      0.06992279
+C      5.48282881      1.51245614     -0.03675466
+C      6.52250244      0.65624013     -0.09831378
+C      5.70340415      2.95842433     -0.07222156
+C      4.76013640      3.91739681     -0.01507449
+H      2.70682351     -1.95483580      0.21815867
+H      2.05844981     -0.53451842     -0.66743735
+H      2.17649304     -0.49904149      1.12436306
+H      3.59375894      1.44432062      0.98605152
+H      3.47323869      1.40952172     -0.79071910
+H      6.36874045     -0.42104227     -0.07217253
+H      7.54393634      1.03209575     -0.17573627
+H      6.75299815      3.26018827     -0.15335938
+H      3.69513516      3.69270486      0.06670963
+H      5.03378242      4.97196023     -0.04868435 
+
+15
+-1565.8319698959833 12.289036 13.10808 -9.1212 -6.9793 -8.743 0.6854 -0.8948 0.636 8.24423 -0.09349 4.0986795936 6.0870554742 0.463397543
+C      2.67695099     -1.01279810      0.32678512
+O      4.01100071     -0.52830309      0.40021509
+C      4.08223425      0.85333451      0.10334257
+C      5.51142865      1.34737952      0.18798026
+C      6.54495566      0.54428506      0.50693690
+C      5.67703150      2.73347673     -0.09747670
+C      5.75457028      3.92074111     -0.35462745
+H      2.71084091     -2.08196746      0.56951837
+H      2.25423212     -0.88468374     -0.68735264
+H      2.01818468     -0.49768307      1.05087120
+H      3.45607373      1.43945299      0.80803234
+H      3.69031470      1.05715468     -0.91501233
+H      6.37395063     -0.50998613      0.71759604
+H      7.55911210      0.93764933      0.55779467
+H      5.84652911      4.96408766     -0.57694344 
+
+19
+-1867.5735238587088 12.686462 13.94471 -9.0208 -6.846 -8.795 0.9537 0.0155 1.478 8.2193 -0.80546 6.1099308912 6.1099308912 0.402925073
+C      1.95215016      0.27798105      0.88313584
+O      3.34677919      0.51740381      0.97998673
+C      3.82956831      1.27049186     -0.13956080
+C      5.32271459      1.43853666     -0.04023080
+C      6.10711345      0.15550849     -0.00633587
+C      5.84629698      2.67888860     -0.01236988
+C      7.29150869      3.07053168      0.03036064
+H      1.65987070     -0.30058047      1.76883689
+H      1.69922567     -0.30087291     -0.02656478
+H      1.37574785      1.22330478      0.86469020
+H      3.32912144      2.25799597     -0.17833134
+H      3.57117993      0.72682240     -1.07538843
+H      5.91872577     -0.43734938     -0.91718073
+H      5.78094394     -0.46273925      0.84331327
+H      7.18806305      0.31647263      0.07756715
+H      5.13873057      3.51634599     -0.02652081
+H      7.97196002      2.21018120      0.01377069
+H      7.51019446      3.65567615      0.93841168
+H      7.54597524      3.71843072     -0.82413966 
+
+21
+-2009.8035220226475 12.435389 13.8156 -9.6281 -7.414 -11.602 0.8954 -0.022 2.889 10.86286 -2.56777 9.3329345626 10.3996109178 0.142538957
+C      2.38859436     -0.64228870      0.32121275
+O      3.71319645     -0.18026380      0.11690012
+C      3.79084963      1.24127411      0.16745522
+C      5.23475773      1.71330734     -0.06883550
+C      6.15560918      1.14638142      1.02550065
+C      5.71515540      1.24900777     -1.45466629
+C      5.23510602      3.25001954     -0.00523950
+H      2.41330025     -1.73827504      0.26609005
+H      1.69904621     -0.25750595     -0.45490821
+H      2.00003363     -0.33972458      1.31285564
+H      3.43700856      1.60162544      1.15692339
+H      3.12383223      1.68076995     -0.60455622
+H      5.83503126      1.48172203      2.02428134
+H      7.19149016      1.48491129      0.87203912
+H      6.14565119      0.04799154      1.01634877
+H      5.07500574      1.65791830     -2.25205120
+H      5.69369262      0.15338791     -1.53022184
+H      6.74507426      1.58937045     -1.64054508
+H      4.58141494      3.68423871     -0.77769591
+H      6.25066930      3.64056612     -0.16801450
+H      4.89049088      3.61162613      0.97611718 
+
+19
+-1863.4636161734616 12.411015 13.61731 -9.5504 -7.3071 -9.423 1.0318 -0.0422 1.461 8.85939 -0.88476 6.6710295342 6.6710295342 0.451175244
+C      1.98030948      1.01283053     -0.64697104
+O      3.20636806      1.68702106     -0.40967753
+C      4.31106857      0.99606445     -0.98463299
+C      5.59945268      1.79893556     -0.74923432
+C      6.81792515      0.97193455     -1.16426805
+C      5.50477712      3.15294281     -1.40866918
+C      6.37441207      3.68044759     -2.27858364
+H      1.18875071      1.59977251     -0.16396304
+H      1.98697597     -0.00720729     -0.21642182
+H      1.76301235      0.93341012     -1.72942048
+H      4.14909852      0.85344434     -2.07354235
+H      4.40791417     -0.00882827     -0.52390384
+H      5.64765955      1.97272232      0.34303162
+H      6.80199060      0.74347857     -2.24118249
+H      6.84586907      0.01899862     -0.61671571
+H      7.75169612      1.50901509     -0.94849906
+H      4.61745662      3.72898326     -1.12831396
+H      7.27649724      3.15540932     -2.59963477
+H      6.20879595      4.67220487     -2.70237734 
+
+17
+-1707.9308901530965 11.993182 13.43088 -9.8669 -7.6327 -9.824 0.9552 0.0408 2.308 9.38347 -1.88768 4.3555165926 10.520398079 0.424775005
+C      1.06625607     -0.14802491     -0.54425890
+O      2.44684582     -0.04187224     -0.22693712
+C      2.91682864      1.29383214     -0.36372040
+C      4.41774439      1.31801920     -0.02493054
+C      5.24317631      0.45843888     -1.00079099
+C      4.88909823      2.70087006      0.01398411
+C      5.27546450      3.85200265      0.02732088
+H      0.78481985     -1.20043750     -0.41333596
+H      0.86657734      0.15297351     -1.59017711
+H      0.44671352      0.47848988      0.12513982
+H      2.36683636      1.96966213      0.31944236
+H      2.76082797      1.65755976     -1.39993109
+H      4.51970995      0.89239637      0.98981649
+H      5.17419918      0.86265619     -2.02100859
+H      4.86137297     -0.57006740     -1.00162109
+H      6.30066140      0.44781183     -0.70728882
+H      5.62226749      4.86497944      0.04414695 
+
+15
+-1566.7434694950289 13.192541 14.38615 -8.9222 -6.797 -8.519 0.6806 -0.9318 0.604 8.08889 -0.0615 3.9579182878 5.9844818564 0.517346102
+C      0.96076170     -0.07477679      0.02416713
+O      2.38251654     -0.05063692      0.02317565
+C      2.86840989      1.29311803      0.00077671
+C      4.32077826      1.31208001      0.00095453
+C      5.53823875      1.38211490      0.00047172
+C      6.95468663      1.39461327      0.00009174
+C      7.72043845      2.50332215     -0.00095110
+H      0.66173213     -1.12972551      0.04189967
+H      0.54400484      0.40462477     -0.88215289
+H      0.54479993      0.43461354      0.91434552
+H      2.48819337      1.85174744      0.88253094
+H      2.48883740      1.82179948     -0.89955860
+H      7.43568011      0.41044843      0.00123581
+H      7.27969746      3.50074705     -0.00212081
+H      8.80722454      2.42628015     -0.00167600 
+
+13
+-1411.2372902206437 13.131125 14.11356 -9.377 -7.1935 -8.733 0.6088 -1.0572 0.958 8.50989 -0.55068 3.2318438732 7.9852687356 2.005722989
+C      0.99840530     -0.04380857      0.01464580
+O      2.42174292     -0.04719140      0.01450351
+C      2.93319874      1.28547759      0.00039067
+C      4.38467650      1.27452474      0.00061385
+C      5.60630575      1.31107336      0.00029546
+C      6.96485711      1.34298968      0.00001108
+C      8.18517343      1.37193985     -0.00025172
+H      0.68116543     -1.09328585      0.02564992
+H      0.59247524      0.44822696     -0.88918549
+H      0.59270128      0.46701895      0.90809051
+H      2.56945968      1.84837000      0.88606379
+H      2.56958461      1.82944363     -0.89708195
+H      9.25530401      1.39398104     -0.00044542 
+
+19
+-1866.6915654646987 12.719112 14.14351 -9.1164 -6.9036 -8.948 1.0354 0.0493 1.531 8.42192 -0.91167 6.3072670088 6.3072670088 0.416814728
+C      1.45867842      3.11532596      0.96427192
+O      2.83459458      2.77841760      0.88139471
+C      3.07355554      1.76770752     -0.09616858
+C      4.57289741      1.48161389     -0.16277710
+C      5.38552361      2.64239127     -0.66111036
+C      6.17803872      2.61122441     -1.74127334
+C      6.99287488      3.76157208     -2.25053144
+H      1.35794637      3.88256254      1.74259344
+H      0.84135841      2.23842915      1.24009542
+H      1.08041283      3.52034664      0.00600807
+H      2.70307715      2.10324574     -1.08645513
+H      2.52129504      0.84463254      0.17588381
+H      4.72874364      0.60556449     -0.81267875
+H      4.90241593      1.19611283      0.85185414
+H      5.30035664      3.57063668     -0.08456050
+H      6.25254781      1.67478917     -2.30993527
+H      6.86445933      4.65501090     -1.62352635
+H      6.71224950      4.02405756     -3.28360309
+H      8.06590418      3.51061905     -2.27384161 
+
+21
+-2008.3616137264903 12.527055 14.23407 -9.644 -7.391 -11.594 0.9217 0.0236 2.997 10.89114 -2.72877 9.3839795988 10.9907141728 0.135332995
+C      1.77468552     -0.93597059     -0.39290864
+O      3.05504388     -0.34654068     -0.23738330
+C      2.98224699      1.07699838     -0.18283109
+C      4.39515660      1.62940149     -0.05545435
+C      4.47326966      3.15478788      0.12999705
+C      5.91810211      3.57754183      0.42395799
+C      3.92356475      3.92604164     -1.07813911
+H      1.92080702     -2.02298844     -0.43687405
+H      1.28203670     -0.60100953     -1.32627957
+H      1.10804685     -0.69632395      0.45805482
+H      2.36507356      1.39108006      0.68596552
+H      2.48160068      1.45720794     -1.09580021
+H      4.97438983      1.33515708     -0.94802327
+H      4.87226774      1.13374374      0.80592935
+H      3.85887708      3.41916039      1.01136490
+H      6.57587901      3.33747469     -0.42700813
+H      6.31560158      3.06069946      1.30996232
+H      5.98716794      4.66072769      0.60349865
+H      4.48400002      3.66756413     -1.99156290
+H      4.01863002      5.01149882     -0.92566678
+H      2.86174244      3.71127798     -1.26411921 
+
+19
+-1866.2546354381436 12.503031 13.77933 -9.316 -7.1164 -9.191 0.9163 -0.0049 1.4 8.56655 -0.77629 6.394143999 6.394143999 0.425221744
+C      1.53936700     -0.41221641     -0.10686902
+O      2.87291268      0.07336145     -0.11746468
+C      2.91678141      1.49608896     -0.05380291
+C      4.38230245      1.93354117     -0.05591351
+C      4.56152409      3.43428862     -0.01053170
+C      4.13765732      4.21020850     -1.23134971
+C      5.08666629      4.04172103      1.06493457
+H      1.59220951     -1.50678789     -0.16751844
+H      0.96039336     -0.03107608     -0.97017465
+H      1.00905803     -0.12741184      0.82216628
+H      2.41503099      1.85513403      0.86789366
+H      2.37128245      1.92574285     -0.91828184
+H      4.85437525      1.52697221     -0.96731072
+H      4.88322791      1.46749530      0.80540365
+H      4.65400782      3.83639284     -2.13073036
+H      4.35999890      5.27995643     -1.12457955
+H      3.05803586      4.10671087     -1.42473243
+H      5.40069300      3.47397545      1.94310626
+H      5.22296569      5.12470250      1.09690510 
+
+17
+-1714.4315783672619 12.351759 14.48857 -9.5132 -7.1647 -9.264 0.876 0.001 2.428 8.85913 -2.00456 4.1526135036 10.1250935152 0.844097325
+C      1.06965658     -0.22959015      0.15321753
+O      2.48081592     -0.09130560      0.08019903
+C      2.87838117      1.27458916      0.08608750
+C      4.40714098      1.32246734      0.00081901
+C      4.91582676      2.68869335      0.00099568
+C      5.31357288      3.83779750      0.00059728
+C      5.79759447      5.21091524      0.00027083
+H      0.84906415     -1.30442695      0.14583806
+H      0.56932848      0.24781649     -0.71066118
+H      0.66514508      0.21569923      1.08199052
+H      2.53412492      1.77651723      1.01176566
+H      2.43335761      1.81357437     -0.77343418
+H      4.72563061      0.79542228     -0.91361942
+H      4.82507772      0.75783252      0.85049871
+H      5.00030273      5.91254622     -0.28754782
+H      6.62757027      5.34054066     -0.71040317
+H      6.16013967      5.50754111      0.99591596 
+
+19
+-1863.4998793767336 12.65041 14.20611 -9.6596 -7.3857 -9.531 1.0177 0.0463 1.356 8.98975 -0.80002 6.6832297566 6.6832297566 0.47297316
+C      1.43834683     -0.53703972     -0.11698288
+O      2.79944866     -0.15796832     -0.24496003
+C      2.99522201      1.22358050      0.03991307
+C      4.47494208      1.55183125     -0.09150042
+C      4.76847006      3.03415632      0.19457654
+C      6.22227830      3.37720785      0.04586855
+C      7.00122566      3.87091377      1.01486384
+H      1.37597622     -1.60685324     -0.35362792
+H      0.79044358      0.02520540     -0.81677427
+H      1.06478219     -0.37313934      0.91220038
+H      2.63835872      1.45301847      1.06615294
+H      2.39666008      1.84425803     -0.66015687
+H      4.80769726      1.29043366     -1.10913352
+H      5.04712913      0.91787385      0.60370445
+H      4.43065631      3.29750269      1.21076928
+H      4.17896162      3.65348551     -0.50640936
+H      6.65904817      3.19101605     -0.94289822
+H      6.60780119      4.06802320      2.01582232
+H      8.05491194      4.09597407      0.84398212 
+
+17
+-1707.5604331740724 11.885032 13.31474 -9.7149 -7.4288 -9.875 0.9333 -0.0013 2.321 9.47016 -1.90482 4.358789823 10.4331615294 0.334049709
+C      0.76294503      0.78257679      0.38288834
+O      2.14957027      0.54126244      0.19860644
+C      2.86565217      1.74502491     -0.06291677
+C      4.33182559      1.39766101     -0.27238821
+C      5.20825433      2.63842617     -0.53503183
+C      4.88309221      3.34648742     -1.76926120
+C      4.60925997      3.92320166     -2.80218128
+H      0.28795938     -0.18778566      0.57552643
+H      0.30593364      1.23661715     -0.51706103
+H      0.57715639      1.45251636      1.24445293
+H      2.75373912      2.44696299      0.79092670
+H      2.45636355      2.24915124     -0.96069330
+H      4.41874628      0.69605137     -1.11541544
+H      4.70861462      0.88223968      0.62415604
+H      6.26551663      2.32969941     -0.57182064
+H      5.12496783      3.33925510      0.31392024
+H      4.37188298      4.43586196     -3.71173740 
+
+19
+-1813.5760233775354 11.466182 13.2979 -9.7199 -7.4479 -11.656 0.9863 -0.017 2.995 10.94882 -2.78227 9.3958078632 11.1345999258 0.158198278
+C      3.16292340     -0.47002803     -0.92978686
+O      4.19385158      0.45356192     -0.61841657
+C      3.72242175      1.51857336      0.20248151
+C      4.87411525      2.47201080      0.48336587
+C      4.45525536      3.64643241      1.37116862
+C      5.60772695      4.59950234      1.65122017
+O      5.12000432      5.65507376      2.49225642
+H      3.60847182     -1.25617066     -1.55257046
+H      2.33980098      0.01224658     -1.49160488
+H      2.73847125     -0.93052551     -0.01684407
+H      3.31450886      1.11288181      1.15211203
+H      2.89337944      2.05229791     -0.30790786
+H      5.26568852      2.84049259     -0.47915316
+H      5.68939159      1.90384369      0.96093730
+H      4.06583252      3.27889814      2.33506652
+H      3.63926411      4.21586217      0.89611672
+H      5.99831593      5.00541649      0.69817027
+H      6.43348178      4.05304523      2.14636682
+H      5.85669459      6.26365500      2.66833160 
+
+17
+-1676.4890004947592 11.253969 12.15608 -8.8078 -6.7306 -9.109 0.8421 -0.083 1.115 8.65927 -0.55398 6.0310881938 6.0310881938 0.318471906
+C      3.18313172     -1.21824053      0.63392083
+O      2.43206575     -0.11491947      0.12174939
+C      3.11046864      1.05649791     -0.03900738
+C      4.40414966      1.32216391      0.22678182
+C      5.01313104      2.67462782     -0.02172259
+C      6.01215013      2.65280579     -1.18884856
+O      5.39534742      2.28990517     -2.42382003
+H      2.48006773     -2.05501985      0.70616762
+H      3.59268182     -0.98785124      1.63131725
+H      4.00982052     -1.48405956     -0.04594709
+H      2.43495827      1.82572281     -0.42333960
+H      5.06360617      0.54181380      0.61598934
+H      5.54121049      3.02943019      0.88073228
+H      4.22351296      3.40976093     -0.24658560
+H      6.84842358      1.96588663     -0.94824215
+H      6.43824023      3.65547869     -1.34289460
+H      4.84082389      1.50862701     -2.23090091 
+
+17
+-1676.7250523087055 11.687588 12.54994 -8.3047 -6.3602 -8.844 0.8203 -0.1069 1.212 8.35625 -0.59803 5.8691004848 5.8691004848 0.343618798
+C      1.24396187     -0.12925530     -0.37438282
+O      2.67070086     -0.18276732     -0.28865715
+C      3.27891432      1.04092705     -0.19862164
+C      4.61369003      1.18743423     -0.08935122
+C      5.57186901      0.03059858     -0.04390808
+C      5.17608590      2.57748814     -0.00025336
+O      5.81429418      2.85048117      1.26579235
+H      0.89703535     -1.16642898     -0.44241487
+H      0.91960350      0.42147035     -1.27286522
+H      0.80734094      0.34150518      0.52213026
+H      2.60869944      1.90802643     -0.23419498
+H      5.04884656     -0.92628739      0.06878532
+H      6.28029540      0.15051543      0.78904932
+H      6.17146514     -0.01452240     -0.96869428
+H      4.38654539      3.32358825     -0.20969870
+H      5.97639422      2.72322112     -0.74424278
+H      5.15895790      2.64180546      1.95653786 
+
+15
+-1553.292002346942 11.620928 11.93102 -8.9254 -6.9894 -9.522 0.4236 -1.2429 -0.821 9.50594 1.4268 3.4504931842 4.798506172 0.463037202
+C      2.34654327     -0.10143675      1.10029381
+O      3.69995898      0.30580601      0.83016038
+C      3.84063969      1.56611000      0.36977890
+C      5.04490873      2.11490268      0.06790627
+C      6.36310915      1.41447228      0.20017640
+C      5.00555747      3.49317706     -0.41792095
+O      5.99291555      4.14941262     -0.73884909
+H      2.40390573     -1.13596561      1.45459586
+H      1.73707811     -0.05806891      0.18484870
+H      1.89858462      0.53152702      1.88153358
+H      2.91721343      2.14553987      0.24526228
+H      6.23977276      0.38592177      0.55722738
+H      7.01668424      1.96089822      0.89590151
+H      6.88495444      1.40107846     -0.76768211
+H      3.97762383      3.93894528     -0.48410291 
+
+17
+-1677.225080372643 11.264813 12.22396 -8.7382 -6.7143 -9.274 0.9165 -0.0689 1.058 8.81243 -0.49562 6.1045622974 6.1045622974 0.30545993
+C      3.60930279     -1.08198964      0.88004170
+O      2.66197040     -0.20506073      0.26473042
+C      3.10981026      1.04375831     -0.05043539
+C      4.34107205      1.55372193      0.13525561
+C      4.74599973      2.96097199     -0.21464709
+C      3.67219198      3.81479456     -0.88654529
+O      5.27221177      3.62725809      0.96137295
+H      3.07721328     -2.02204646      1.06257705
+H      3.97010805     -0.66583596      1.83475130
+H      4.46890754     -1.26315447      0.21410585
+H      2.29986165      1.61395843     -0.50939775
+H      5.13158747      0.95325476      0.58990867
+H      5.62128406      2.91497017     -0.88652518
+H      2.77968355      3.91248561     -0.24950886
+H      3.36618250      3.39064513     -1.85411462
+H      4.07317538      4.82137556     -1.06122422
+H      4.60246755      3.51536272      1.66120486 
+
+15
+-1556.1484384562425 11.130176 11.65917 -9.0067 -7.1315 -9.977 0.407 -1.26 -0.753 9.2854 1.3406 3.4832254882 5.1638557182 0.447854583
+C      4.47195819     -0.88079712      0.50053669
+O      3.26238674     -0.11669946      0.35792771
+C      3.39110073      1.22348329      0.28428912
+C      4.52955194      1.95530812      0.32861420
+C      4.55743802      3.42286957      0.23638500
+C      3.25176579      4.19079922      0.07909667
+O      5.63398985      4.02262824      0.28496823
+H      4.15824650     -1.92883784      0.53184883
+H      4.99098685     -0.61407024      1.43336863
+H      5.14035392     -0.71264555     -0.35726244
+H      2.40591942      1.68271202      0.17711183
+H      5.51042378      1.49160904      0.43683055
+H      2.57013743      3.99510875      0.92011388
+H      2.73199705      3.90193112     -0.84643326
+H      3.48046377      5.26111082      0.04279436 
+
+15
+-1544.1781478770417 10.983309 11.71441 -8.8767 -6.7902 -9.455 0.8862 -1.0194 -0.272 9.01431 0.89495 3.655045287 5.4623148174 0.23575727
+C      4.46367149     -0.84122751     -0.38977355
+O      3.31862008     -0.11317111      0.06648639
+C      3.41958909      1.24253429      0.04869677
+C      4.45263714      1.99780632     -0.37093663
+C      4.43411569      3.50152829     -0.29608300
+C      5.39819445      3.96676028      0.78295633
+O      6.40936365      4.61304834      0.58358377
+H      4.20948732     -1.90117595     -0.28378399
+H      5.34818681     -0.60512257      0.22378798
+H      4.67892377     -0.61315172     -1.44620399
+H      2.49586142      1.68873309      0.42737748
+H      5.36725613      1.53903388     -0.74980606
+H      3.42506500      3.85253611     -0.01995538
+H      4.72423908      3.96875078     -1.24878746
+H      5.12303888      3.62686747      1.81619134 
+
+17
+-1679.0038328732333 11.132229 12.03066 -8.9527 -6.874 -9.319 0.8515 -0.0725 1.123 8.73593 -0.55191 6.2247915216 6.2247915216 0.363468804
+C      2.42959026     -0.49384648      0.09155306
+O      3.71717500      0.13016928      0.12297099
+C      3.74438382      1.51158630      0.10901972
+C      2.65601569      2.30073965      0.07422922
+C      5.16390080      2.00584725      0.16018488
+C      5.91807039      1.58337304      1.43327425
+O      6.24906500      0.19603901      1.46786964
+H      2.61581007     -1.57335429      0.10201462
+H      1.88771873     -0.21885629     -0.82705670
+H      1.83076176     -0.20872030      0.97117888
+H      1.63813898      1.91936030      0.04853043
+H      2.78785893      3.38031139      0.06669500
+H      5.15065106      3.10322811      0.09602051
+H      5.71918374      1.62421464     -0.71301966
+H      5.32371848      1.87398673      2.32165752
+H      6.87498764      2.12462555      1.48107438
+H      5.43833967     -0.28345389      1.21133327 
+
+17
+-1679.799003132887 11.114775 12.0847 -8.9405 -6.8583 -9.353 0.8605 -0.0419 1.141 8.76963 -0.56505 6.2467618408 6.2467618408 0.324331528
+C      3.06753330      0.72139458     -2.02018758
+O      4.12140069      1.21549105     -1.19199491
+C      3.75750824      2.00727540     -0.13071726
+C      2.50100078      2.32084453      0.22602041
+C      4.99893118      2.48304833      0.59785186
+C      5.72324123      1.33673084      1.31169103
+O      5.88106357      3.18419552     -0.29522956
+H      3.55140658      0.14884124     -2.81920346
+H      2.48670342      1.55208310     -2.45290610
+H      2.39354280      0.06371837     -1.44748603
+H      1.61860274      1.95319957     -0.29352420
+H      2.34410684      2.97704701      1.07963735
+H      4.68231383      3.23469170      1.33592289
+H      6.03036750      0.56366887      0.59275611
+H      5.07020768      0.86850903      2.06234035
+H      6.61891827      1.72675154      1.81287240
+H      6.01729138      2.59800931     -1.06291332 
+
+15
+-1552.636454056186 10.7175 11.46881 -9.1163 -7.0992 -9.924 0.1784 -1.5377 -0.547 9.4912 1.12768 3.516676911 5.2314280882 0.274443926
+C      2.31241369     -0.52335938     -0.65727335
+O      3.56977078      0.10023082     -0.38750581
+C      3.53906724      1.44993555     -0.15892938
+C      2.45215077      2.24539374     -0.16465646
+C      4.91486870      2.01428655      0.12005415
+C      6.07417638      1.04476036      0.10670383
+O      5.06335139      3.20904542      0.34306039
+H      2.52713937     -1.58651593     -0.81140310
+H      1.85062991     -0.10036826     -1.56434990
+H      1.62298182     -0.40117357      0.19404001
+H      1.44426686      1.88766423     -0.35861070
+H      2.60798227      3.30287661      0.03780381
+H      5.89928520      0.22335007      0.81595169
+H      6.99356866      1.58227861      0.35975566
+H      6.16683696      0.57946518     -0.88585085 
+
+15
+-1546.2872640423234 10.752789 11.57174 -8.988 -6.8829 -9.571 1.0287 -0.9478 -0.066 9.01199 0.67632 3.664220251 6.2573502452 0.247046859
+C      1.89506985      0.03565019     -0.64153945
+O      3.23000383      0.52498757     -0.48308432
+C      3.36481268      1.84736364     -0.14652114
+C      2.36081760      2.71662194      0.06969844
+C      4.82238777      2.21803180     -0.09795667
+C      5.41932637      2.37313480     -1.48903091
+O      6.23340405      3.22525481     -1.78598707
+H      1.99214690     -1.01953997     -0.91878335
+H      1.36589557      0.58507156     -1.43667547
+H      1.33119485      0.12242855      0.30106073
+H      1.31071657      2.43970061      0.01546842
+H      2.59793526      3.74805356      0.32051462
+H      5.37894538      1.40349480      0.39927345
+H      4.98954898      3.14370243      0.46557131
+H      5.05699434      1.62902371     -2.24199860 
+
+15
+-1543.2601518480074 11.234952 11.58674 -9.0318 -7.0176 -9.595 -0.1621 -1.8851 -0.909 9.12557 1.53633 3.2965025722 4.7499780516 0.419642659
+C      0.91488870      0.79526591     -0.26559617
+O      2.14175176      0.90464495      0.48923774
+C      2.98763968      1.93691974      0.16463679
+C      2.46941495      3.31774475      0.06783537
+O      1.31681980      3.65919162      0.30907704
+C      4.31278018      1.64853685      0.06493602
+C      5.47112152      2.57294767     -0.11758168
+H      0.46647761     -0.15288232      0.05271145
+H      1.12987805      0.75101773     -1.34585301
+H      0.23683466      1.63008105     -0.05087414
+H      3.22481583      4.07228699     -0.25569730
+H      4.56265572      0.58841029      0.18194147
+H      5.19475429      3.62533651     -0.24024287
+H      6.06330046      2.26826352     -0.99510140
+H      6.15043681      2.50125474      0.74788069 
+
+15
+-1536.2828156118192 10.778618 11.50027 -9.4072 -7.2507 -9.803 0.5383 -1.3619 -0.326 9.32417 0.94457 3.6578721678 5.8264369022 0.295850656
+C      4.27811782     -0.40506624      1.51976052
+O      3.86537533      0.91149838      1.88892277
+C      3.10541723      1.54470874      0.87293015
+C      2.45769550      2.79763677      1.39913469
+C      2.70076825      3.32527018      2.60368546
+C      4.02224903      1.98991424     -0.28182452
+O      3.69512398      2.03316890     -1.44995424
+H      4.85012274     -0.80270604      2.36643637
+H      4.92097855     -0.40520218      0.62164377
+H      3.40622927     -1.05646698      1.33028785
+H      2.33480216      0.86550631      0.45644425
+H      1.77845834      3.28397234      0.69400362
+H      3.37962485      2.84078698      3.30575216
+H      2.20565493      4.24398055      2.91882869
+H      5.03714201      2.30767805      0.07400847 
+
+19
+-1816.148760319906 11.108405 12.33175 -9.7364 -7.4004 -11.625 0.8313 -0.1114 2.836 10.99844 -2.54079 9.249665565 10.277137547 0.141187549
+C      1.46105455      0.78022757      2.41351001
+O      2.32530066      1.89815936      2.24557201
+C      2.65408955      2.19912050      0.86803478
+C      1.44960831      2.74489172      0.09877816
+C      3.85278989      3.15759176      0.89982153
+C      3.62294012      4.47245834      1.65045074
+O      3.51001953      4.30445479      3.06426278
+H      1.42227568      0.56787401      3.48919386
+H      1.85728286     -0.10712788      1.88584835
+H      0.43657532      0.98043953      2.05458716
+H      2.98181360      1.25353099      0.38827478
+H      1.05156135      3.65227942      0.57389637
+H      0.64011347      2.00509360      0.03940709
+H      1.74240300      2.99292116     -0.93159727
+H      4.13099174      3.38286359     -0.14305931
+H      4.70721084      2.63724932      1.36107814
+H      2.73523029      4.99705428      1.24310677
+H      4.48528151      5.13759592      1.48735640
+H      2.94728772      3.51462202      3.19266766 
+
+17
+-1678.9914765315618 11.37602 12.26633 -8.6475 -6.6181 -8.984 0.8585 -0.1032 1.125 8.44086 -0.51449 5.9155828362 5.9155828362 0.292908894
+C      3.26039851     -0.35689170      0.41160282
+O      2.52308169      0.86570818      0.45435229
+C      3.20864564      2.03450816      0.22269533
+C      2.24527176      3.18160857      0.30608511
+C      4.53317465      2.09796316     -0.04608495
+C      5.32015474      3.34864300     -0.27416912
+O      6.29109662      3.58867238      0.77042196
+H      2.53336683     -1.15047692      0.61769764
+H      4.05226496     -0.37276249      1.17807359
+H      3.71115021     -0.51604024     -0.58153172
+H      1.69938680      3.13954112      1.25970677
+H      1.49878684      3.10877309     -0.49885379
+H      2.74705043      4.15099091      0.22798556
+H      5.11827798      1.17733320     -0.07208384
+H      4.66380152      4.22706273     -0.39895886
+H      5.92316556      3.26306649     -1.19160926
+H      5.81916528      3.47028037      1.61471048 
+
+15
+-1555.0709164780685 11.327871 11.68461 -9.1061 -7.1285 -9.729 0.3733 -1.3111 -0.81 9.33465 1.45072 3.463300938 4.9036339014 0.515727118
+C      2.51227505     -0.52353246     -0.18877891
+O      2.06322195      0.83739948     -0.09402254
+C      2.99399130      1.82247171     -0.01561638
+C      2.30564472      3.14980890      0.07402586
+C      4.33986630      1.59736828     -0.02042018
+C      5.35426406      2.63464547      0.05903522
+O      6.56354100      2.40842116      0.05104896
+H      1.60103483     -1.12793187     -0.24338657
+H      3.09632005     -0.80668629      0.69954629
+H      3.11649426     -0.67513921     -1.09558874
+H      1.64835312      3.16523132      0.95532590
+H      1.67014246      3.29699800     -0.81118475
+H      3.01258506      3.98075243      0.14468770
+H      4.73542399      0.58389862     -0.08900570
+H      4.98934185      3.68958445      0.12997385 
+
+19
+-1817.461824160684 11.029739 12.21653 -9.7554 -7.5981 -11.652 0.8681 -0.0674 2.656 10.88152 -2.32888 9.0427825254 13.2212223128 0.067735065
+C      2.39246997     -0.26226955     -0.69952901
+O      3.49425750      0.56844567     -0.35535024
+C      3.20078713      1.95713361     -0.02098291
+C      2.48994362      2.67724819     -1.17124449
+C      2.40508950      2.05062998      1.28401764
+C      4.61386705      2.53414841      0.19553182
+O      5.45720657      2.36223181     -0.93812039
+H      2.80767198     -1.26574311     -0.86022565
+H      1.89175833      0.06163890     -1.62814451
+H      1.64311473     -0.32269791      0.10914227
+H      3.09259029      2.62559279     -2.08769835
+H      2.34849177      3.73691895     -0.91512722
+H      1.49603390      2.25222484     -1.36751416
+H      2.89619568      1.46920056      2.07714373
+H      1.37751142      1.68009303      1.16277203
+H      2.33596879      3.09805363      1.61251835
+H      5.04976984      2.04976279      1.09060122
+H      4.54850657      3.61599183      0.38462117
+H      5.37217536      1.41718560     -1.17162132 
+
+17
+-1683.8973142563946 10.57007 11.62049 -9.4113 -7.257 -10.85 0.8651 -1.0861 -0.04 10.07831 0.69137 3.7141990076 12.1074684734 0.133423184
+C      2.95553990     -0.03609071      1.24303073
+O      2.74361106      0.71468789      0.04497124
+C      3.31522626      2.04063911      0.04359848
+C      2.92156618      2.63109709     -1.31652255
+C      2.83951576      2.91671475      1.19965257
+C      4.84407752      1.88209367      0.02582678
+O      5.63920602      2.57877015      0.62486083
+H      2.64364878     -1.06321003      1.01684161
+H      2.34900667      0.34336127      2.08229497
+H      4.01639342     -0.04985038      1.55062531
+H      3.28705279      1.99570937     -2.13525150
+H      3.33158549      3.64244650     -1.43542028
+H      1.82553825      2.67722442     -1.38133642
+H      3.15093177      2.51723209      2.17341285
+H      1.74450705      3.00150356      1.17871022
+H      3.27715550      3.91893225      1.10926664
+H      5.17837759      1.03729900     -0.63406148 
+
+19
+-1818.862351708704 11.121058 12.38417 -9.8307 -7.6446 -11.629 0.8897 -0.0395 2.806 10.95485 -2.50118 9.225736267 11.8345628888 0.072501533
+C      2.05405234     -0.55388928      1.05402567
+O      3.30578488      0.12044448      1.07081289
+C      3.28581540      1.40328262      0.41131054
+C      2.60188055      2.47835928      1.25183601
+C      4.75257837      1.71215197      0.05908743
+C      5.65635881      1.93238095      1.27374764
+O      5.26284533      0.66876130     -0.78158463
+H      2.22582682     -1.55536445      1.46913477
+H      1.66330784     -0.65226046      0.02397768
+H      1.29578869     -0.04264517      1.67322720
+H      2.74745920      1.28585195     -0.55073157
+H      3.06534747      2.55686657      2.24475339
+H      1.53365225      2.26003660      1.38693704
+H      2.67517535      3.45590802      0.75279543
+H      4.75595303      2.61955227     -0.56799126
+H      5.62260477      1.06511403      1.94841369
+H      5.36303875      2.82631673      1.84326452
+H      6.69044397      2.06840394      0.93132324
+H      5.02098620     -0.16214136     -0.32657970 
+
+17
+-1689.9319826935432 10.624657 11.76487 -9.1029 -7.0404 -10.598 1.0377 -0.7858 0.173 9.71847 0.54812 3.7585240026 12.2248088238 0.146761834
+C      4.34985387     -0.19434921      2.42784521
+O      3.80983742      1.11458561      2.25866255
+C      3.60684230      1.44797570      0.88403572
+C      2.70591106      2.68051243      0.83439981
+C      4.92522692      1.72649247      0.12641292
+C      6.00178741      2.49718201      0.85832009
+O      5.04555928      1.37202439     -1.03741423
+H      4.41389321     -0.37395011      3.50821212
+H      5.35960775     -0.29217497      1.98783675
+H      3.69552750     -0.95822911      1.97001325
+H      3.12068925      0.60647610      0.35379465
+H      3.16270313      3.51871498      1.37869028
+H      1.74192673      2.44892131      1.30590624
+H      2.52927295      2.98286240     -0.20598372
+H      6.10159282      2.16413517      1.89919696
+H      5.71153154      3.55968587      0.89537700
+H      6.94993687      2.41299495      0.31700441 
+
+17
+-1683.875557356303 10.782275 12.03051 -9.4417 -7.2335 -10.833 1.1691 -0.8329 0.08 9.97165 0.54407 3.6720809634 11.8881620366 0.149872289
+C      1.55730166      0.02003013      2.05645342
+O      2.89140912      0.50569071      1.96672605
+C      3.08210418      1.49105438      0.93913447
+C      2.55168616      2.86512171      1.34817047
+C      4.59063002      1.52823353      0.65983328
+C      5.11301744      0.25743200      0.03139999
+O      5.93461364      0.22558270     -0.86778894
+H      1.56335462     -0.78058854      2.80661987
+H      1.21445912     -0.39434194      1.09002137
+H      0.84442709      0.79911222      2.37934546
+H      2.54917776      1.15397214      0.02491125
+H      3.07766035      3.22390952      2.24466614
+H      1.47583227      2.83158363      1.56653817
+H      2.70347514      3.59300841      0.53845705
+H      5.10219098      1.65467903      1.63119229
+H      4.86310363      2.37858402      0.01981972
+H      4.69067681     -0.68708366      0.45717993 
+
+17
+-1670.2704621677676 11.663704 12.89734 -9.7033 -7.4814 -9.506 1.2409 -0.3248 1.162 8.96977 -0.55029 6.4374647074 6.4374647074 0.396392521
+C      0.84698452      1.46301166     -1.32333480
+O      2.26661730      1.42904676     -1.36390677
+C      2.83680483      1.68802221     -0.07889518
+C      4.32206124      1.53897471     -0.16544011
+C      5.20091977      2.47029425      0.22902296
+C      6.68819016      2.30672764      0.15709581
+O      7.30315802      3.32350747     -0.65373117
+H      0.49112510      1.25926046     -2.34115178
+H      0.47171084      2.45326179     -1.00221584
+H      0.44107527      0.69515299     -0.63713990
+H      2.42676094      0.96378417      0.65750556
+H      2.56577719      2.70420886      0.27080149
+H      4.68219098      0.58401442     -0.56569569
+H      4.84173653      3.43425688      0.60853195
+H      6.94374587      1.29414923     -0.20646487
+H      7.14242335      2.42857135      1.15318546
+H      6.86281809      3.29614515     -1.52253713 
+
+15
+-1542.3668935565165 11.522661 12.31985 -9.5623 -7.5056 -10.223 -0.145 -1.9128 -0.815 9.54407 1.39761 3.43999157 5.4042645722 0.591929001
+C      4.11205299     -0.92971497      1.14171309
+O      4.85791266      0.18108616      0.65894278
+C      4.10963659      0.95126578     -0.27366462
+C      4.90767545      2.14964102     -0.66666936
+C      4.92782429      2.70451740     -1.89218809
+C      5.70193063      3.92490454     -2.14990087
+O      5.75481080      4.49800010     -3.22961725
+H      4.75553736     -1.46115941      1.85303780
+H      3.83219020     -1.61793020      0.32255541
+H      3.19024169     -0.60293693      1.65868821
+H      3.15970046      1.29365128      0.19509483
+H      3.83317099      0.34756938     -1.16093606
+H      5.49005824      2.60910295      0.14101094
+H      4.37632569      2.28020837     -2.73640858
+H      6.26619197      4.31222453     -1.26106822 
+
+17
+-1670.3387853844777 11.272074 12.33146 -9.5977 -7.3699 -9.383 1.1626 -0.1883 1.305 8.79147 -0.68158 6.483785877 6.483785877 0.406761047
+C      1.37093041     -0.22811474      0.17579181
+O      2.78861751     -0.17944586      0.11249856
+C      3.26349573      1.15459632      0.04051555
+C      4.76601552      1.20326506     -0.02211675
+C      5.53931386      0.11271471      0.07335825
+C      5.35494354      2.57839017     -0.21844634
+O      5.01584685      3.15251176     -1.49549101
+H      1.08649421     -1.28673096      0.22245761
+H      0.90814220      0.23178410     -0.71765680
+H      0.98639008      0.28902446      1.07533547
+H      2.92337603      1.73263660      0.92869987
+H      2.84327400      1.67277019     -0.84593673
+H      5.10529475     -0.87865145      0.20125604
+H      6.62712306      0.19687064      0.03129448
+H      6.44956101      2.53387285     -0.07990851
+H      4.95158364      3.28810520      0.52176457
+H      5.34560761      2.53801095     -2.17617607 
+
+15
+-1543.1676236162739 10.944566 11.66759 -9.6922 -7.6182 -10.1 -0.0924 -1.8807 -0.864 9.79809 1.44059 3.4347345636 5.2793362786 0.443597155
+C      3.09093260     -1.33860964      0.19302716
+O      4.34281134     -0.72442063     -0.08668453
+C      4.20625453      0.66963203     -0.30262754
+C      5.54488442      1.29044722     -0.57733200
+C      6.70525457      0.61011816     -0.61323406
+C      5.57058538      2.74753684     -0.82080835
+O      4.58257417      3.46949607     -0.81373618
+H      3.28529833     -2.40784507      0.34182945
+H      2.38125869     -1.21233559     -0.64555023
+H      2.63206096     -0.92239777      1.10909042
+H      3.74983892      1.16700648      0.57745314
+H      3.52785338      0.87665803     -1.15548040
+H      6.74142697     -0.46467779     -0.44003542
+H      7.64092983      1.13458466     -0.81927830
+H      6.59203590      3.16258699     -1.01972318 
+
+19
+-1816.0735577195414 11.258982 12.5817 -9.723 -7.422 -11.685 0.8397 -0.0869 2.797 11.38926 -2.52701 9.362058874 10.3256036744 0.11592224
+C      2.04443763      0.86751543     -0.40393647
+O      3.23247114      1.64887704     -0.34814104
+C      4.22535663      1.18663188     -1.27403053
+C      5.46387906      2.07904439     -1.20752960
+C      6.53597979      1.53532240     -2.15929998
+C      5.13168919      3.54265897     -1.54005767
+O      4.35151748      4.20134552     -0.54563706
+H      1.35059729      1.27702429      0.34031581
+H      2.25480610     -0.19022588     -0.16060568
+H      1.57618612      0.91428948     -1.40445248
+H      3.80598111      1.19975273     -2.30261061
+H      4.48965153      0.13703919     -1.03394476
+H      5.84841903      2.05245071     -0.17289065
+H      6.20659581      1.59399305     -3.20885650
+H      6.77234808      0.48362136     -1.94138690
+H      7.46619858      2.11302208     -2.06883970
+H      4.63095618      3.57835722     -2.53204759
+H      6.06600984      4.11950922     -1.62953131
+H      3.64417940      3.56984094     -0.30291728 
+
+19
+-1820.4068139877827 11.259193 12.58902 -9.8802 -7.7015 -11.702 0.8793 -0.0621 2.788 11.16797 -2.48218 9.353689819 10.4431176052 0.112392658
+C      1.19363451      1.47700777     -1.41397734
+O      2.59959327      1.63406208     -1.28577955
+C      3.10781564      1.02028222     -0.10112607
+C      4.59635432      1.37636516      0.02297493
+C      5.13248852      0.89061468      1.36784651
+C      5.40361332      0.78601173     -1.14259543
+O      4.72187054      2.81376025      0.03350022
+H      0.89259835      1.99073093     -2.33562355
+H      0.65716524      1.92435728     -0.55645906
+H      0.91261328      0.40991895     -1.48744590
+H      2.96913032     -0.07853001     -0.14658260
+H      2.56611668      1.40732568      0.78419166
+H      4.56528596      1.33996789      2.19472377
+H      6.18490535      1.18757667      1.47366955
+H      5.07228866     -0.20407691      1.44559608
+H      4.99997948      1.12708885     -2.10561454
+H      5.37566316     -0.31408841     -1.12967788
+H      6.44986757      1.11117574     -1.06509226
+H      4.16793583      3.13095945     -0.70534854 
+
+17
+-1682.8118335683603 10.752137 12.05607 -9.4342 -7.2339 -10.814 1.0379 -0.862 0.1 9.94217 0.54352 3.6838224376 11.4467966738 0.127573362
+C      1.54817831      2.10562348      0.25367776
+O      2.94809302      2.29822049      0.41032521
+C      3.69131720      1.63109956     -0.60220536
+C      5.18672461      1.92200909     -0.41143183
+C      6.06449166      1.01898085     -1.27404287
+C      5.46910094      3.40018046     -0.62948287
+O      6.39766427      3.83683819     -1.28587422
+H      1.05408410      2.65610859      1.06375001
+H      1.27746503      1.03535856      0.32510898
+H      1.19228826      2.49458866     -0.71873317
+H      3.35997956      1.96551919     -1.60785500
+H      3.52158650      0.53666818     -0.54869253
+H      5.39478103      1.74493500      0.66238056
+H      5.81847516      1.13188884     -2.34005180
+H      5.93037587     -0.03562390     -0.99731230
+H      7.12261884      1.28295623     -1.15781800
+H      4.74750564      4.08916852     -0.12564256 
+
+15
+-1512.9269028359042 11.351405 13.11953 -9.7863 -7.5528 -9.609 0.9138 -0.1468 2.138 9.17542 -1.73084 4.222033265 9.9071137286 0.633180402
+C      0.99792079      0.01775760     -0.34729511
+O      2.41560129      0.10601476     -0.41571180
+C      2.89196195      1.23141836      0.32669161
+C      4.34010546      1.32391145      0.24365346
+C      5.55042957      1.43734596      0.20466473
+C      6.99942288      1.55369534      0.08988742
+O      7.43296142      2.41028017     -0.97764184
+H      0.70659444     -0.86400589     -0.93060410
+H      0.51252216      0.91383528     -0.77935100
+H      0.64605097     -0.10471550      0.69494091
+H      2.58699332      1.14457858      1.39051553
+H      2.43762129      2.16656033     -0.06221968
+H      7.43296370      0.54058565     -0.01188073
+H      7.41751979      1.99151747      1.00963897
+H      6.93631098      2.14931043     -1.77414836 
+
+13
+-1380.2080715920506 11.194477 12.49986 -10.0663 -7.9939 -10.408 -0.1554 -2.0586 -0.69 9.79412 1.28762 3.5619070038 10.5149922894 0.766746306
+C      0.97414098     -0.06962446      0.06268129
+O      2.39898906     -0.05334105      0.06007904
+C      2.89291813      1.28033275      0.00394778
+C      4.34326958      1.29285680      0.00290204
+C      5.56051405      1.37008552     -0.00122126
+C      6.99777011      1.37729009     -0.00190843
+O      7.68378777      2.39095281     -0.04143678
+H      0.67266926     -1.12253443      0.10776669
+H      0.56148530      0.38742067     -0.85583848
+H      0.56396229      0.46363512      0.94030238
+H      2.53010325      1.87332975      0.87019636
+H      2.52963078      1.79878103     -0.90869899
+H      7.45664943      0.36040541      0.03761836 
+
+19
+-1816.4370118817544 11.377897 13.00246 -9.6522 -7.3866 -11.641 0.9387 -0.0436 2.88 11.52604 -2.61712 9.4043752958 10.5842632676 0.084791037
+C      3.15515071     -1.12336079      0.27072188
+O      4.05455525     -0.02653064      0.30916397
+C      3.44743449      1.17077363     -0.17315334
+C      4.47762340      2.28909408     -0.12479109
+C      3.93862013      3.63059272     -0.63250969
+C      4.95633631      4.75663297     -0.46758939
+O      3.47465417      3.54069282     -1.99444602
+H      3.69377701     -1.99892948      0.65530134
+H      2.81328070     -1.33371262     -0.76071339
+H      2.26464647     -0.94209384      0.90276613
+H      2.56971041      1.43045596      0.45535421
+H      3.08018777      1.02783059     -1.20727237
+H      5.35846294      1.99584616     -0.72293290
+H      4.82758507      2.40722590      0.91361561
+H      3.02687496      3.88681155     -0.06569452
+H      5.88173517      4.53034927     -1.02217147
+H      5.22682439      4.89468342      0.58943049
+H      4.54596358      5.70091358     -0.84964763
+H      4.25533707      3.38482472     -2.55726182 
+
+17
+-1690.4341322832393 10.819999 12.37924 -9.4164 -7.3525 -10.723 1.2422 -0.616 0.187 9.73386 0.52263 3.7484191436 8.1143505602 0.170524511
+C      2.36825303      0.10006529     -0.83147237
+O      3.67951905      0.63316993     -0.71381537
+C      3.65915811      1.98488574     -0.26101447
+C      5.09692526      2.46871900     -0.17951498
+C      5.23291846      3.90920485      0.28592411
+C      6.63806470      4.47995123      0.29159863
+O      4.26501873      4.57443858      0.62957002
+H      2.47045022     -0.93481893     -1.18177579
+H      1.76203074      0.67052704     -1.56059807
+H      1.83945214      0.10259692      0.14046191
+H      3.17008866      2.05842470      0.72887753
+H      3.07780257      2.62024068     -0.95672726
+H      5.59128521      2.36054429     -1.16010821
+H      5.67385145      1.82514544      0.50732521
+H      7.33575234      3.80790100      0.81254908
+H      6.63845430      5.46728668      0.76593989
+H      7.00110502      4.57425756     -0.74368984 
+
+17
+-1683.7667043263118 10.716681 11.92408 -9.632 -7.3895 -10.974 1.2807 -0.7736 0.012 10.07996 0.60533 3.6979692402 11.8484369222 0.121224516
+C      3.41839594      2.32594481      2.91536359
+O      4.31597372      2.04331532      1.85251487
+C      3.68007217      2.15338617      0.57721491
+C      4.70864351      1.86732436     -0.50946741
+C      5.86601490      2.86563219     -0.52843849
+C      5.54553026      4.22195670     -1.10249866
+O      4.47833365      4.54939728     -1.59109332
+H      3.98037733      2.22083237      3.85213821
+H      2.56608964      1.61983109      2.92542075
+H      3.01752813      3.35508122      2.84695142
+H      3.25018268      3.16583291      0.45216155
+H      2.84701462      1.42538048      0.50814100
+H      4.19291518      1.88049429     -1.48158366
+H      5.10571747      0.85233806     -0.35728030
+H      6.72164324      2.48208480     -1.11476419
+H      6.27317345      3.02076250      0.48649687
+H      6.39754412      4.95119544     -1.06466717 
+
+19
+-1804.5554495319923 11.520264 13.10253 -9.5902 -7.3167 -11.521 0.967 0.0437 3.173 10.98742 -2.93348 9.398944709 12.2671624414 0.109812273
+C      1.40516390     -0.27317838     -0.87938822
+O      2.80424921     -0.03738901     -0.85550766
+C      3.11374510      1.24690889     -0.31684611
+C      4.62771345      1.39642490     -0.26695555
+C      5.07678319      2.77348877      0.19381812
+O      4.64213378      2.99152702      1.53570666
+C      5.04496608      4.26404282      2.01800434
+H      1.25122835     -1.27258008     -1.30609662
+H      0.87677958      0.47160236     -1.50579828
+H      0.97026022     -0.24310911      0.13818956
+H      2.68025839      1.35272600      0.69577533
+H      2.66924422      2.04148802     -0.95383095
+H      5.03708192      1.21463969     -1.27325711
+H      5.04924428      0.62912485      0.40047322
+H      4.65931676      3.56261370     -0.46732008
+H      6.18154826      2.85015778      0.13869623
+H      4.67566433      4.35373681      3.04745358
+H      4.61854336      5.08385287      1.40833553
+H      6.14726565      4.36750211      2.01891802 
+
+17
+-1667.8272542758077 11.48364 12.42574 -7.8417 -5.8176 -8.667 0.8539 -0.0268 1.265 8.20043 -0.69976 5.6743556746 5.863173954 0.160051127
+C      2.35593477     -1.09890606      0.73860912
+O      3.51605890     -0.73168190     -0.00860048
+C      3.91556883      0.57372956      0.22346058
+C      5.22574802      0.89790867      0.26354611
+C      6.34496594     -0.08591025      0.15108756
+O      5.69950209      2.18775048      0.37820234
+C      4.73128292      3.22534755      0.49997886
+H      2.08459511     -2.11328830      0.42208239
+H      1.51271953     -0.41666790      0.52614892
+H      2.55743958     -1.09101690      1.82375320
+H      3.10769630      1.30612334      0.30188896
+H      5.95296039     -1.10830664      0.15888244
+H      7.05002403      0.04338925      0.98574618
+H      6.90701307      0.06949282     -0.78272287
+H      5.29715693      4.16005013      0.58626018
+H      4.10806646      3.08814795      1.40076181
+H      4.07775712      3.26940820     -0.38883530 
+
+19
+-1814.2249619999234 11.041089 12.30908 -9.7371 -7.6337 -11.798 0.9646 0.0646 2.914 11.36974 -2.57438 9.3001650628 12.5469120532 0.153556133
+C      2.03848262     -0.82602327      0.67423559
+O      1.96386116      0.19243730     -0.32572900
+C      2.69232015      1.39589123     -0.03924078
+C      2.37048970      2.32475572     -1.21052383
+C      2.30035093      2.02001567      1.30063362
+O      4.09703051      1.12795319      0.08752952
+C      4.73200022      0.60175661     -1.07987832
+H      1.63644434     -1.73639061      0.21159791
+H      1.42724284     -0.58055460      1.55972868
+H      3.07767809     -1.00878676      0.99200376
+H      2.55634764      1.82468239     -2.16922483
+H      2.98272015      3.23394091     -1.14868418
+H      1.31020011      2.60583465     -1.17787398
+H      2.63657498      1.39456164      2.13696135
+H      1.21079545      2.14432029      1.35305357
+H      2.77672805      3.00327401      1.40313622
+H      5.71506148      0.23876711     -0.75389858
+H      4.87986642      1.37508019     -1.85323181
+H      4.16053518     -0.23594567     -1.51111490 
+
+17
+-1665.4490772720299 11.566312 12.67905 -8.7715 -6.6857 -9.157 0.9701 0.0831 1.225 8.68425 -0.66884 6.149457628 6.149457628 0.320768914
+C      1.16731712      4.21331589     -0.49650492
+O      2.20136091      3.34766528     -0.93881405
+C      3.15292896      3.08753513      0.10430168
+C      4.16047543      2.09435675     -0.36928675
+C      5.45415108      2.43059129     -0.51581933
+O      6.49191524      1.64742508     -0.91648990
+C      6.17039902      0.29362230     -1.25113918
+H      0.47368512      4.34366317     -1.33710540
+H      1.56140736      5.20465054     -0.19850380
+H      0.61538245      3.78675544      0.36414669
+H      2.60988602      2.70125634      0.99262098
+H      3.64983583      4.03110206      0.41007213
+H      3.79871353      1.09108886     -0.59895792
+H      5.81329270      3.44025927     -0.29837156
+H      7.11414647     -0.17636439     -1.54743814
+H      5.45399055      0.25514931     -2.08747705
+H      5.74571222     -0.23541231     -0.38219350 
+
+17
+-1666.8347837291815 11.290882 12.4599 -8.6804 -6.5704 -9.091 0.9547 0.0437 1.407 8.52378 -0.83624 6.2766424668 6.2766424668 0.352172797
+C      3.88634762     -2.49122609      0.86059346
+O      4.86411426     -1.50126814      0.57869554
+C      4.27357553     -0.22860553      0.39176621
+C      5.32202997      0.81052472      0.08294368
+C      6.63799738      0.56989034     -0.01220209
+O      4.69263576      2.01926136     -0.07885289
+C      5.53117252      3.13514833     -0.37813718
+H      4.42057804     -3.43887904      1.00451357
+H      3.16877591     -2.60322120      0.02534450
+H      3.31937340     -2.25234138      1.78067842
+H      3.71724235      0.08548454      1.29961635
+H      3.53956516     -0.25222786     -0.44050974
+H      6.98980625     -0.44668022      0.14264871
+H      7.36555500      1.34568042     -0.23665319
+H      4.86348996      3.99899864     -0.47141414
+H      6.07316520      2.97938541     -1.32529544
+H      6.25766570      3.31177567      0.43207421 
+
+19
+-1805.449771658256 11.398027 12.86989 -9.5905 -7.409 -11.496 0.9999 0.0868 3.089 10.83321 -2.80724 9.2889195326 11.7970943196 0.097005396
+C      4.01157861     -1.15342218      1.43919265
+O      4.71959558     -0.30152648      0.55154674
+C      3.83720308      0.45453061     -0.26898334
+C      4.66571771      1.35133017     -1.18945774
+C      5.54904657      0.54877145     -2.14065252
+O      3.70062488      2.16389586     -1.87369120
+C      4.26226846      3.30526542     -2.50537454
+H      4.75865755     -1.69511515      2.03305398
+H      3.38731242     -1.88348803      0.88975104
+H      3.35734525     -0.57645741      2.12015675
+H      3.17168611      1.08843450      0.34814157
+H      3.19825582     -0.21583260     -0.87971575
+H      5.30113425      2.00054819     -0.55263441
+H      4.92517884     -0.05952907     -2.81267849
+H      6.19889846     -0.12146886     -1.56215222
+H      6.18954511      1.20033650     -2.75032555
+H      3.42286257      3.89826909     -2.89084872
+H      4.92250886      3.04014215     -3.35047591
+H      4.83725985      3.92151585     -1.78804232 
+
+15
+-1523.1173407417502 11.940203 12.35163 -7.8888 -5.8986 -8.841 0.8272 -0.0645 1.009 8.45678 -0.55074 5.6888372394 5.6888372394 0.486332613
+C      4.94211988     -0.75897735     -0.22833238
+O      3.52217903     -0.69528974     -0.35452514
+C      2.95017779      0.51048066     -0.06253719
+C      3.57710181      1.63396983      0.32876791
+O      2.81905061      2.76679891      0.58178845
+C      3.49041008      3.89536431      0.96947788
+C      2.85617444      5.04299299      1.23276022
+H      5.22797069     -1.78192084     -0.49660581
+H      5.25644632     -0.54534749      0.80798883
+H      5.43175317     -0.04500243     -0.91309446
+H      1.86675342      0.48240936     -0.18177803
+H      4.65409321      1.73398698      0.46830922
+H      4.57768306      3.78767095      1.04750995
+H      1.77378041      5.13140555      1.14922348
+H      3.43470609      5.91117832      1.53799707 
+
+13
+-1374.9585901848 10.385173 11.29094 -9.6308 -7.4771 -10.231 0.4046 -1.5579 -0.335 9.89798 0.96237 3.6239991926 11.0820918548 0.25634026
+C      1.04075837     -0.00814041      0.70691928
+O      2.41745619      0.32602411      0.92861309
+C      2.90177993      1.29539601     -0.01405272
+C      2.39364159      2.68219034      0.44191408
+O      1.61123266      3.35818055     -0.19199116
+C      4.35584611      1.29536437     -0.02264556
+C      5.56487494      1.39755550     -0.02088271
+H      0.79009430     -0.76311005      1.46105805
+H      0.89599158     -0.43415338     -0.30110301
+H      0.37267696      0.86064506      0.82775120
+H      2.50464900      1.09629252     -1.02764350
+H      2.76946633      2.97802594      1.45187948
+H      6.63454204      1.45648944     -0.02530651 
+
+17
+-1673.0648709730783 11.334606 12.26132 -8.8221 -6.6722 -9.408 0.9598 0.0468 1.32 8.94358 -0.82701 6.4639357184 6.4639357184 0.434786516
+C      1.62004988      0.17930922      2.58533512
+O      1.84900464      0.23851393      1.17018683
+C      2.63897316      1.32583485      0.73000615
+C      2.10772151      2.70160018      1.09460643
+O      3.98297425      1.26113266      1.24809450
+C      4.71830422      0.18603025      0.81296941
+C      5.97405699     -0.02533734      1.22106046
+H      1.15768859     -0.79692941      2.77286399
+H      0.93033203      0.97060194      2.92189723
+H      2.56314211      0.24740853      3.14906397
+H      2.67145724      1.19132254     -0.36529381
+H      2.16489983      2.87652484      2.17673619
+H      1.06461872      2.79500851      0.76663083
+H      2.70903182      3.47143743      0.59458612
+H      4.20026823     -0.48427502      0.11999673
+H      6.46643128      0.64328155      1.92699599
+H      6.52157550     -0.88454467      0.84101385 
+
+17
+-1677.0683991945646 11.236225 12.26125 -8.5998 -6.5206 -8.966 0.8406 -0.0474 1.181 8.45984 -0.56721 5.959697055 5.959697055 0.298965495
+C      2.65584193      0.45470006      1.52574202
+O      2.41000041      1.68966728      0.85691485
+C      3.46450822      2.27042758      0.17339992
+C      2.98546752      3.58899043     -0.37247615
+O      2.53938757      4.48263056      0.65634796
+C      4.68804700      1.72397866      0.03763941
+C      5.86341688      2.32832524     -0.67330146
+H      1.71901891      0.19262989      2.03080122
+H      3.46296629      0.55844558      2.26979218
+H      2.92075118     -0.34052412      0.80906235
+H      2.16996966      3.39399507     -1.09609599
+H      3.79077476      4.10773070     -0.90429521
+H      1.92436899      3.96919442      1.21183777
+H      4.86752940      0.73995705      0.47660647
+H      5.66940542      3.34380113     -1.04035255
+H      6.16429823      1.71419265     -1.53798408
+H      6.73810764      2.38075782     -0.00532872 
+
+17
+-1670.7534329451757 11.115782 12.04254 -9.8423 -7.5927 -9.807 1.3961 -0.2505 1.136 9.26577 -0.57931 6.720475151 6.720475151 0.428339675
+C      2.87615224     -0.90350791     -0.42691836
+O      2.60644426      0.05320422      0.59370568
+C      2.94543143      1.40846749      0.22564922
+C      2.32172138      2.27370517      1.32781065
+O      2.80284795      1.93071035      2.62443464
+C      4.43304946      1.59773689      0.10856369
+C      5.06115445      1.90408861     -1.03189503
+H      2.56743483     -1.87912862     -0.03110296
+H      3.94697411     -0.93789000     -0.68917417
+H      2.29381155     -0.68407580     -1.34134811
+H      2.46005364      1.66063095     -0.73996702
+H      1.22207798      2.16737772      1.26952211
+H      2.58019645      3.32910276      1.16045797
+H      2.65900583      0.96977849      2.71490820
+H      4.99653583      1.47202274      1.03827379
+H      4.51092720      2.03413780     -1.96821481
+H      6.14237140      2.04669913     -1.07092549 
+
+15
+-1512.082221363026 10.61813 11.68709 -10.1139 -7.7757 -9.987 0.961 -0.0866 2.126 9.58636 -1.72846 4.3759122896 11.6965168764 0.204683686
+C      2.61477017     -1.01175241      0.25431037
+O      2.30068776      0.28497192      0.76074384
+C      2.87913484      1.35846947      0.00051774
+C      2.31488801      2.64557902      0.62522220
+O      2.63355624      2.77114056      2.00083723
+C      4.34517958      1.32081206     -0.00429852
+C      5.55790262      1.28363714     -0.03179608
+H      2.10152454     -1.73100833      0.90373594
+H      3.70046126     -1.20251969      0.27820320
+H      2.24975699     -1.13218505     -0.78213827
+H      2.52202473      1.30097039     -1.04980852
+H      1.22097160      2.63488921      0.46023724
+H      2.74109541      3.51844327      0.11179978
+H      2.38898486      1.92261432      2.41599776
+H      6.62866139      1.25908812     -0.03942390 
+
+15
+-1542.63292699813 10.897101 11.79476 -9.409 -7.4526 -10.424 -0.1911 -1.9391 -0.545 9.41216 1.16886 3.4971119202 5.6420945174 0.389166095
+C      3.80869232     -1.61453135     -0.10641146
+O      4.79188657     -0.59154010     -0.20602979
+C      4.22157109      0.70107878     -0.08112486
+C      5.26731242      1.81147574     -0.17912177
+O      4.89079256      2.97469942     -0.07306746
+C      6.68837902      1.42573734     -0.39975405
+C      7.64478631      2.36118971     -0.50032419
+H      4.33035281     -2.57375944     -0.21070099
+H      3.05013953     -1.52418738     -0.90612583
+H      3.29410035     -1.58496676      0.87207324
+H      3.70290435      0.82116179      0.89132926
+H      3.46768235      0.88755568     -0.87261902
+H      6.91092010      0.36085899     -0.47570017
+H      7.38652249      3.41961917     -0.42008051
+H      8.68957775      2.09499842     -0.66302241 
+
+13
+-1380.7845169780824 10.359331 11.26171 -9.6392 -7.5478 -10.773 -0.2095 -2.0478 -0.686 9.74188 1.28261 3.5036087866 11.6720544386 0.319116736
+C      4.73669235     -1.11628863     -0.06978486
+O      3.81545223     -0.17610988     -0.63274235
+C      3.82627848      1.06799442      0.00983716
+C      5.03998148      1.95239700     -0.30440565
+O      5.96252677      1.61172567     -1.03058372
+C      5.00290956      3.25527555      0.34196106
+C      4.93087618      4.33610224      0.89428435
+H      4.56663844     -2.06442859     -0.59371234
+H      4.53974200     -1.25884597      1.00896667
+H      5.78056814     -0.80062273     -0.21697988
+H      3.75865915      0.97511139      1.11562975
+H      2.92610467      1.61816701     -0.31423897
+H      4.89318052      5.29665251      1.36895878 
+
+17
+-1670.61082882366 11.299273 12.34955 -9.7898 -7.5416 -9.676 1.1941 -0.03 1.3 9.13851 -0.74057 6.74607826 6.74607826 0.442591572
+C      1.66420264      2.34590457     -1.34846943
+O      3.05469837      2.20971833     -1.08729420
+C      3.31225123      1.68734144      0.21647375
+C      4.82107195      1.46116084      0.33385019
+O      5.26151591      0.56689347     -0.70252901
+C      5.60094365      2.75160799      0.31078714
+C      6.37557163      3.17317017      1.31519074
+H      1.56315304      2.73596673     -2.36881375
+H      1.19020477      3.05259802     -0.64269462
+H      1.14338029      1.37292006     -1.27729728
+H      2.78615250      0.72123879      0.34675881
+H      2.96277556      2.39193468      0.99585092
+H      5.01251565      0.94044366      1.28661138
+H      4.83156644      0.88191720     -1.52138315
+H      5.50566840      3.34818519     -0.60215538
+H      6.48778975      2.58850640      2.23241538
+H      6.92683823      4.11306248      1.25895852 
+
+15
+-1512.153422067502 10.722768 11.90118 -10.093 -7.758 -9.883 0.9423 -0.0684 2.251 9.70389 -1.85501 4.3952665042 10.5509854252 0.284223212
+C      1.52029570     -0.56056549      0.41786941
+O      2.88610898     -0.20330528      0.25348344
+C      3.04925504      1.17347437     -0.05865007
+C      4.55488546      1.46480114     -0.10142392
+O      5.17016729      1.13743917      1.14876420
+C      5.21108947      0.80125665     -1.23654233
+C      5.76190440      0.26138354     -2.17334536
+H      1.49544142     -1.62778067      0.67036108
+H      0.94651949     -0.39619104     -0.51271248
+H      1.04650562      0.01714340      1.23319728
+H      2.59234328      1.80413644      0.72862906
+H      2.58312027      1.41933781     -1.03216662
+H      4.67927594      2.55505316     -0.21534985
+H      4.92612899      0.20791254      1.32508422
+H      6.25281865     -0.22013576     -2.99451804 
+
+17
+-1665.8104324750143 11.379644 12.60573 -8.9477 -6.7752 -9.49 0.99 0.0668 1.204 9.03079 -0.72534 6.4281657574 6.4281657574 0.361815456
+C      2.64831781     -1.50544172      0.54700235
+O      3.32027040     -0.25405136      0.58072284
+C      2.79545694      0.65438986     -0.37704574
+C      3.58354338      1.94823123     -0.24842765
+O      3.05031186      2.86260353     -1.21370202
+C      3.62849688      4.09720147     -1.25531960
+C      4.63281870      4.56917274     -0.50130734
+H      3.11624528     -2.14227046      1.30793875
+H      2.74603079     -1.99118074     -0.44232974
+H      1.57242636     -1.39372665      0.77944101
+H      1.72012413      0.84712534     -0.19327975
+H      2.89623941      0.24975218     -1.40333901
+H      4.65445624      1.76848993     -0.44494591
+H      3.47852582      2.36219952      0.76910107
+H      3.14626291      4.70070484     -2.02729417
+H      5.12984391      3.98974857      0.27412922
+H      4.97300919      5.58856171     -0.67047431 
+
+17
+-1664.6646166200253 10.647265 11.96342 -9.6933 -7.5414 -11.259 1.0544 0.1689 3.321 10.8321 -3.08816 9.078750864 11.6988354146 0.309940152
+C      1.27403858      2.70402683     -1.14032546
+O      2.00826377      2.35264518      0.03683697
+C      3.03403390      1.41899156     -0.21852440
+O      4.10397871      1.93187265     -1.00010209
+C      4.89644812      2.87003230     -0.29597079
+C      5.99370114      2.35913438      0.60567983
+C      6.31799830      2.98849377     -0.73965857
+H      0.47888186      3.38950563     -0.82274766
+H      0.81956619      1.80849807     -1.60209019
+H      1.91495010      3.20285248     -1.88449329
+H      2.65031160      0.55955287     -0.79739236
+H      3.39431544      1.10213997      0.77422202
+H      4.36258044      3.77612535      0.00408104
+H      6.10915065      1.27706721      0.67725550
+H      6.21873904      2.91270308      1.51764432
+H      6.77105918      3.97952764     -0.76633002
+H      6.63283297      2.31148103     -1.53384485 
+
+15
+-1566.4206936360545 10.113384 11.38714 -10.0316 -8.0272 -11.318 1.7848 0.0898 0.199 10.15922 0.44579 4.4820567042 12.0752941064 0.255766801
+C      1.45453793      0.65130351     -0.45729694
+O      2.75523504      0.86736124      0.13506821
+C      3.78775545      0.89320977     -0.75874389
+O      3.64253561      0.74524133     -1.96139551
+C      5.08045940      1.12274834     -0.06417906
+C      6.31411834      0.44818714     -0.64805618
+C      6.13877896      1.92247918     -0.81144407
+H      0.75351404      0.62079856      0.38310772
+H      1.43678959     -0.29473292     -1.01378480
+H      1.20327876      1.47243335     -1.14172425
+H      5.02227316      1.23538618      1.01752118
+H      6.14249523     -0.17684716     -1.52439016
+H      7.05022310      0.07924289      0.06567544
+H      6.75100820      2.59718306     -0.21373428
+H      5.84909719      2.28582551     -1.79739343 
+
+15
+-1570.6231198008754 11.103839 12.06232 -9.8799 -7.778 -10.103 0.4091 -1.2562 -0.518 9.56106 1.13319 4.246458507 5.3709371354 0.418425155
+C      1.24641370      0.46135104     -0.46814160
+O      2.65195151      0.35846962     -0.15672471
+C      3.36397596      1.51183345     -0.36089047
+O      2.86120572      2.54542999     -0.77271608
+C      4.78472400      1.29975068     -0.01082438
+C      5.68136454      2.29301785     -0.12673908
+C      7.13125145      2.18528628      0.20256522
+H      0.82854726     -0.52962758     -0.26379535
+H      1.10430462      0.73378898     -1.52236177
+H      0.76730849      1.22251340      0.16204171
+H      5.06695010      0.30605502      0.34472043
+H      5.31382053      3.25879843     -0.49115288
+H      7.40324790      1.18298224      0.55862600
+H      7.40754902      2.91990528      0.97599492
+H      7.74774519      2.42471531     -0.67875195 
+
+17
+-1710.7571138884234 10.576438 11.92581 -9.9455 -7.8965 -11.287 1.0313 -0.0348 0.223 10.22256 0.43592 4.451283379 11.3095937662 0.136222718
+C      2.56766609      0.05843596     -2.40804221
+O      3.44725267      0.15800743     -1.26436729
+C      4.28316736      1.23780010     -1.27958044
+O      4.27980079      2.07315297     -2.16526127
+C      5.22217696      1.21353822     -0.08121512
+C      6.46020697      0.36907447     -0.44220294
+C      5.60738352      2.63399894      0.33787033
+H      1.89671635      0.92639836     -2.45266168
+H      1.99751044     -0.86408528     -2.25782303
+H      3.14927966      0.01007208     -3.33790256
+H      4.68862193      0.70918612      0.74014988
+H      7.00333193      0.82167243     -1.28492151
+H      6.18141089     -0.65723271     -0.71736171
+H      7.14377040      0.32038517      0.41726576
+H      6.10043598      3.16113308     -0.49044908
+H      6.29756505      2.60012966      1.19254286
+H      4.72581300      3.22068301      0.63082002 
+
+15
+-1568.5891040843967 10.66963 11.5465 -9.9631 -7.8087 -10.116 0.3126 -1.3766 -0.659 9.57804 1.22311 4.1434757354 5.3987471952 0.401770544
+C      1.78787596      2.97255945      0.67882385
+O      3.20781856      2.75960760      0.52544098
+C      3.56027808      1.46649772      0.27178102
+O      2.74814386      0.55835036      0.18219691
+C      5.03625258      1.27522343      0.11495628
+C      5.46464228     -0.14038255     -0.14885743
+C      5.89006049      2.30929779      0.20650819
+H      1.67422222      4.04471296      0.86987708
+H      1.39940885      2.38454003      1.52092924
+H      1.25364778      2.68141164     -0.23534133
+H      5.15661333     -0.80126709      0.67444760
+H      6.55329357     -0.20161120     -0.26841314
+H      4.98027091     -0.53282465     -1.05452163
+H      5.53764647      3.32136005      0.39969528
+H      6.96440506      2.15713446      0.08870710 
+
+13
+-1410.7132472847604 10.834672 12.31267 -9.9344 -7.8369 -10.241 0.6222 -1.1811 -0.482 10.13355 1.08098 3.6393114636 10.293565692 0.504791991
+C      1.04303857      0.00394719      0.54350877
+O      2.48758697      0.06344656      0.60177132
+C      3.03672842      1.05689386     -0.15478291
+O      2.39257610      1.84226171     -0.83133569
+C      4.47260310      1.05367721     -0.04817927
+C      5.68711213      1.11992462     -0.01937444
+C      7.13434702      1.19779564      0.02174416
+H      0.76369385     -0.83039941      1.19410579
+H      0.70745930     -0.17516053     -0.48623101
+H      0.60530766      0.94366955      0.90446481
+H      7.45811526      1.90141119      0.80286932
+H      7.53726501      1.55143027     -0.93821845
+H      7.57835661      0.21730215      0.24525761 
+
+15
+-1564.8363969350808 10.651761 11.8096 -9.8754 -7.584 -9.825 1.3109 -0.1492 0.111 10.32342 0.57137 4.4312348428 6.712230082 0.473225962
+C      1.68795575      0.02589932     -1.08131837
+O      3.06468928      0.17894608     -0.66088272
+C      3.39162937      1.42914324     -0.22839453
+O      2.61324102      2.36329566     -0.20719779
+C      4.83397741      1.46448930      0.25315979
+C      5.45782390      2.82532877      0.14177878
+C      6.67757439      3.05302160     -0.35444775
+H      1.60139737     -1.01186175     -1.41757911
+H      1.45719038      0.72082935     -1.89869921
+H      1.00731602      0.22070007     -0.24243311
+H      5.42146009      0.69707015     -0.26876329
+H      4.79345972      1.15853426      1.31556432
+H      4.84538842      3.65697278      0.50121322
+H      7.30605162      2.24220035     -0.73208629
+H      7.09024525      4.06170082     -0.39886393 
+
+13
+-1406.2785624201877 10.110402 11.42505 -10.3534 -7.8998 -10.152 1.5985 -0.097 0.034 10.43999 0.63658 4.4081238524 10.8596361736 0.700539537
+C      2.19340442     -1.28326343     -0.45369181
+O      3.46824772     -0.62319041     -0.26662057
+C      3.39926924      0.73637066     -0.20775899
+O      2.37522417      1.37621215     -0.29945228
+C      4.81307138      1.29042834     -0.01173124
+C      4.88384682      2.73794624      0.07770002
+C      4.96639895      3.94453561      0.15331506
+H      2.42422913     -2.35213565     -0.49445663
+H      1.72330543     -0.94985457     -1.38767518
+H      1.52158741     -1.06181105      0.38556572
+H      5.43258996      0.92081212     -0.84548902
+H      5.23103302      0.82234460      0.89467890
+H      5.02747235      5.01156538      0.21741600 
+
+17
+-1665.441608274863 11.028136 11.98499 -9.9407 -7.7248 -9.735 1.4103 -0.1904 1.276 9.19501 -0.71519 6.7883946818 6.7883946818 0.449465278
+C      4.07611270     -0.45677867      2.07309807
+O      4.89979459     -0.07452246      0.96923142
+C      4.69344318      1.26372911      0.56865407
+O      5.11113232      2.21315373      1.55415646
+C      6.51778236      2.18428996      1.83318656
+C      5.35628700      1.49717270     -0.76585168
+C      5.92126670      0.55648440     -1.52679941
+H      4.29564448     -1.51194248      2.27583575
+H      3.00511942     -0.34893651      1.82281938
+H      4.29389720      0.14521225      2.96961016
+H      3.60603729      1.46759992      0.48558903
+H      6.68298172      2.92591070      2.62396298
+H      7.11587502      2.45481524      0.94682814
+H      6.83929283      1.19168594      2.18674919
+H      5.32375937      2.54036415     -1.09446490
+H      5.94921058     -0.48488051     -1.20377873
+H      6.36684326      0.80574254     -2.49086650 
+
+15
+-1505.2973549946662 10.638207 11.77749 -10.1262 -7.9249 -10.144 1.1006 0.0357 2.151 9.86765 -1.74428 4.437954884 10.758575185 0.322986068
+C      0.98718393     -0.11861793     -0.22064072
+O      2.37749753     -0.01490192      0.10886436
+C      2.85522158      1.31798536      0.00910341
+O      2.30204796      2.19127010      0.98310935
+C      2.66294669      1.87198736      2.33686032
+C      4.32386939      1.26310292      0.05247821
+C      5.53585617      1.28589018      0.06499184
+H      0.73464915     -1.18321061     -0.15497119
+H      0.79849206      0.23836150     -1.24891444
+H      0.35944695      0.45534192      0.47876835
+H      2.52927824      1.76628774     -0.94987356
+H      2.12830849      2.59310690      2.96546830
+H      3.74860708      1.97923161      2.49218804
+H      2.35735130      0.84869718      2.60319247
+H      6.60686346      1.29254769      0.07999526 
+
+17
+-1670.9535440802022 11.368277 12.49521 -8.5933 -6.4599 -9.105 0.9461 0.0598 1.184 8.67239 -0.645 6.0798022932 6.0798022932 0.334526195
+C      2.58944987     -0.21463096      1.31966885
+O      2.36917833      0.23255453     -0.02458471
+C      2.82151289      1.52164059     -0.25626507
+O      4.26128820      1.53028365     -0.24660657
+C      4.85925817      2.74250843     -0.45317620
+C      4.28154000      3.93158908     -0.69933582
+C      5.08030631      5.18393613     -0.91335412
+H      2.08463590     -1.18336140      1.41016920
+H      2.15288661      0.49600118      2.04390725
+H      3.66270736     -0.33599946      1.53001884
+H      2.46474310      2.23295369      0.51877750
+H      2.45788169      1.81966308     -1.25368036
+H      5.94590512      2.63404948     -0.39847881
+H      3.19475910      4.02138118     -0.75695259
+H      6.15961385      4.98870840     -0.83613607
+H      4.82681883      5.95917256     -0.17238917
+H      4.88960467      5.62012982     -1.90723216 
+
+19
+-1814.3641081292835 11.236534 12.48286 -9.8476 -7.7853 -11.746 0.9689 0.0582 3.163 11.00568 -2.88131 9.4655623868 10.7186392944 0.128515146
+C      3.98041730      6.44285832      1.36023144
+O      5.17074396      5.76620465      0.94881169
+C      5.57579996      6.11988967     -0.36116174
+O      4.69411078      5.69078113     -1.37544364
+C      4.71449634      4.25594501     -1.61275485
+C      3.35084774      3.89043414     -2.18205854
+C      5.85804624      3.88918957     -2.55680839
+H      3.78440762      6.13593540      2.39456858
+H      3.11986097      6.17402088      0.72677445
+H      4.11854360      7.53931547      1.32581301
+H      6.58034135      5.67747975     -0.47162071
+H      5.62489431      7.21859517     -0.47118702
+H      4.85082375      3.74893558     -0.64101843
+H      3.17441981      4.42672856     -3.12625917
+H      2.55149127      4.15789053     -1.47795736
+H      3.29371979      2.81103962     -2.38119171
+H      5.72552423      4.39054283     -3.52678802
+H      5.88355479      2.80263077     -2.72531679
+H      6.83421621      4.18322297     -2.14611280 
+
+17
+-1674.4798497412075 11.269223 12.23752 -8.7645 -6.6555 -9.23 0.9206 0.0192 1.209 8.65753 -0.65847 6.2092064814 6.2092064814 0.352358931
+C      2.45736424      0.87056831      1.96237862
+O      2.55622890      0.77496842      0.53550724
+C      2.96498917      1.95399003     -0.06835326
+O      4.35362906      2.18702908      0.23933369
+C      4.92409421      3.32007803     -0.28398865
+C      6.35217412      3.43082957      0.15965675
+C      4.30457135      4.20839027     -1.08567280
+H      2.01725409     -0.07271727      2.30642369
+H      1.80033351      1.70973721      2.25346129
+H      3.44711359      1.00629303      2.42409303
+H      2.37997756      2.82763407      0.28720680
+H      2.84587187      1.81985061     -1.15570188
+H      6.41220070      3.47204688      1.25758286
+H      6.81888466      4.33102856     -0.25571870
+H      6.92413058      2.54929849     -0.16595997
+H      3.26980352      4.11370264     -1.40655259
+H      4.86030886      5.07227206     -1.44377613 
+
+17
+-1665.9230604160857 11.297594 12.30873 -9.8844 -7.6082 -9.716 1.5872 -0.1268 1.295 9.19963 -0.75561 6.773665145 6.773665145 0.445404664
+C      2.47997948      0.86415113     -2.29530054
+O      2.33780687      1.97167201     -1.39957587
+C      2.77542353      1.67240934     -0.09078947
+O      4.16848287      1.46460024      0.02592597
+C      4.93286614      2.66954979     -0.17774768
+C      6.37068023      2.38308269      0.11673895
+C      7.37751180      2.68387972     -0.70925222
+H      2.06568422      1.18397830     -3.25874760
+H      1.91570454     -0.01237582     -1.92827178
+H      3.53621071      0.57892973     -2.42316569
+H      2.31783918      0.73461507      0.27291064
+H      2.45153730      2.53290101      0.52212528
+H      4.55093511      3.45036069      0.51249572
+H      4.80721097      3.04198471     -1.20856514
+H      6.57263402      1.91648266      1.08630735
+H      7.19620226      3.14074969     -1.68548258
+H      8.41603076      2.49203906     -0.43644534 
+
+15
+-1507.0864028850644 10.83185 12.01742 -10.1408 -7.7193 -9.891 1.081 0.0258 2.271 9.78549 -1.87508 4.4110375234 10.347437609 0.40422243
+C      2.70321390     -0.78024275      1.28945787
+O      2.38209705     -0.11500565      0.06150040
+C      2.81279481      1.22718346      0.03754778
+O      4.22080090      1.38803500      0.00041923
+C      4.77982073      0.93495687     -1.24712410
+C      6.22064963      1.13176559     -1.24667284
+C      7.42335695      1.28210684     -1.28260919
+H      2.29101447     -1.79332746      1.21351234
+H      2.24060515     -0.26133385      2.14805898
+H      3.79150500     -0.83490017      1.44847537
+H      2.49760086      1.76503925      0.94905031
+H      2.34149467      1.66478300     -0.86055505
+H      4.32479962      1.49943010     -2.08508042
+H      4.54709272     -0.13312001     -1.40431658
+H      8.48516353      1.41919977     -1.30660410 
+
+13
+-1450.8628518950502 9.836403 10.46594 -8.7028 -6.5501 -8.099 0.7329 -0.936 0.605 7.82582 -0.31548 4.222715188 11.0875224416 0.310624668
+O     -0.02061235      0.02600663     -1.29439543
+C      0.02324854     -1.05802085     -0.33375006
+C      1.27388753     -0.64758998      0.48634862
+C      1.23976062      0.68820139      0.51486546
+C     -0.03111606      1.06883054     -0.28829261
+C     -1.25354744      0.62355693      0.55582469
+C     -1.21939050     -0.71223501      0.52726470
+H      0.04030928     -2.03213578     -0.83354896
+H      1.96407176     -1.33437671      0.96969287
+H      1.89444811      1.38806589      1.02791617
+H     -0.06444608      2.06301960     -0.74596483
+H     -1.92628527      1.28895710      1.09091576
+H     -1.85665814     -1.43344976      1.03263360 
+
+13
+-1468.8556415441658 10.635184 10.65273 -8.7846 -6.7976 -8.547 0.0868 -1.4612 0.105 8.08695 0.42237 4.6367168406 11.2002009184 0.416526181
+O     -1.18133740      0.77725350      0.66984281
+C     -1.09418166     -0.40385544     -0.15251108
+C     -0.18113430     -1.46069361      0.28532672
+C      1.13425348     -1.19223688      0.50700703
+C      1.72458469      0.06464795      0.10881004
+C      0.98957167      1.03181634     -0.50427494
+C     -0.46866235      0.92793106     -0.57445627
+H     -2.05237394     -0.69231444     -0.59793922
+H     -0.57304300     -2.47350285      0.39599133
+H      1.79390538     -1.97899899      0.87820366
+H      2.80704025      0.17796301      0.19469375
+H      1.47384344      1.88401290     -0.98476007
+H     -1.00203625      1.54382746     -1.30653378 
+
+13
+-1462.839628968814 11.214306 11.02573 -7.5522 -5.4921 -7.749 -0.2643 -1.8943 -0.336 7.44735 0.86989 3.1091473276 6.351058864 0.750582247
+O      0.93903189     -1.34527925     -0.00948031
+C     -0.44233488     -1.50225980     -0.00100339
+C     -1.44862200     -0.61335307      0.00188146
+C     -1.42413467      0.85485808     -0.00213765
+C     -0.32101336      1.62752460     -0.00192402
+C      1.06715171      1.14872306      0.00238893
+C      1.55866064     -0.10074780     -0.00059282
+H     -0.65296966     -2.57219201      0.00260097
+H     -2.43525005     -1.08073505      0.00783959
+H     -2.39971144      1.34497957     -0.00482344
+H     -0.44816750      2.71186909     -0.00444106
+H      1.84360046      1.91619482      0.00871075
+H      2.63614887     -0.26847224      0.00328100 
+
+15
+-1588.9582351774002 10.647622 11.43981 -8.9217 -6.7307 -8.506 1.3241 -0.1671 1.174 8.06342 -0.52098 5.2981945492 5.2981945492 0.178623065
+O      1.01707602      0.13885063     -0.76685036
+C      2.12374283      0.00357474      0.08771758
+C      2.48194966     -1.32445884      0.85551739
+C      3.87886870     -0.61351657      0.90364751
+C      3.54535319     -0.09553438     -0.54162904
+C      3.53572992      0.63044634      1.73672921
+C      2.37673095      1.04436218      1.19896878
+H      0.21438070      0.19867158     -0.21843922
+H      2.46359162     -2.20649812      0.19839115
+H      1.97894045     -1.51254940      1.81447974
+H      4.80008885     -1.16292324      1.12211345
+H      4.01676653      0.84105196     -0.86818429
+H      3.61260075     -0.88015674     -1.30975846
+H      4.11990686      1.04827671      2.55419396
+H      1.74378298      1.89809316      1.43455261 
+
+17
+-1746.1027212743058 10.896075 11.99565 -9.6122 -7.4134 -10.515 0.9551 0.0329 2.876 10.14819 -2.5316 8.1999628932 10.9010846934 0.142288412
+O      1.59509316     -0.25298483     -0.89905724
+C      2.77610593      0.06353978     -0.19056001
+C      3.49901618     -1.02407196      0.56369782
+C      4.09686098     -0.44519590     -0.71323579
+C      5.13588744      0.66659547     -0.56990645
+C      4.30608127      1.95969599     -0.37751171
+C      2.98243073      1.51087318      0.28408382
+H      0.89542214     -0.42151818     -0.24240223
+H      3.08583652     -2.03132964      0.48788384
+H      3.97024022     -0.78104065      1.51995721
+H      4.10640751     -1.09430573     -1.58967863
+H      5.79166610      0.48172854      0.29721201
+H      5.78605654      0.72865088     -1.45416465
+H      4.83856243      2.73142161      0.19790674
+H      4.07882948      2.38665405     -1.36705535
+H      3.04179310      1.56530158      1.38374648
+H      2.13148026      2.12888583     -0.03403585 
+
+15
+-1606.232631603965 10.711691 11.41826 -8.8501 -6.679 -8.886 1.0235 -0.1294 1.27 8.41379 -0.65109 5.8583756958 5.8583756958 0.2436968
+O      1.77420522      0.52595684      1.20678855
+C      2.73211278      0.06385166      0.28096865
+C      3.37407762      1.04497613     -0.66473263
+C      4.19151930      0.43372288      0.47738398
+C      4.96124204     -0.79326270      0.13000530
+C      4.14715015     -1.80049246     -0.23395723
+C      2.69002971     -1.41306238     -0.12596027
+H      0.98294030      0.79185667      0.70446277
+H      3.08170708      2.08800248     -0.53272020
+H      3.60861542      0.73759399     -1.68628914
+H      4.49833054      1.09241316      1.29080624
+H      6.05088925     -0.84039457      0.15161544
+H      4.47456297     -2.78628839     -0.56621790
+H      2.13659339     -1.57605338     -1.06595721
+H      2.17416423     -1.99611995      0.65739366 
+
+17
+-1746.258409912027 10.816733 11.91665 -9.6451 -7.4746 -11.373 0.9188 -0.025 2.799 10.97846 -2.50955 8.9956058524 12.1196562972 0.071791197
+O      1.04847908     -0.19637733     -0.11747041
+C      2.43522311      0.01902479     -0.00063164
+C      3.35975912     -0.56360718     -1.09715058
+C      4.44249066     -0.35341709      0.00251705
+C      3.33959160     -0.73734541      1.02879322
+C      4.47851749      1.18630333      0.12838759
+C      2.94412609      1.47101217      0.12509044
+H      0.60009219      0.34484086      0.55696779
+H      3.45337182     -0.00878356     -2.04276414
+H      3.14738440     -1.62472354     -1.28223886
+H      5.40107287     -0.88309879     -0.03251290
+H      3.12239436     -1.81335232      1.03670115
+H      3.41808336     -0.34030950      2.05293266
+H      4.96949410      1.51492153      1.05604051
+H      4.99565900      1.66001178     -0.71866251
+H      2.61663614      2.08638748     -0.72527588
+H      2.59587461      1.94813278      1.05500650 
+
+15
+-1543.8547374323416 9.776765 10.76062 -9.185 -7.0374 -10.629 0.8886 -0.0755 2.701 10.315 -2.36885 8.1024479042 10.8453901822 0.118455118
+O      1.51079022     -0.24413399     -0.80723139
+C      2.73179326      0.06048600     -0.17460787
+C      3.52367684     -1.03243618      0.51709347
+C      4.01669087     -0.41349238     -0.78098784
+O      5.00293817      0.59311995     -0.66561094
+C      4.30104839      1.84723700     -0.48268286
+C      3.00261470      1.50618560      0.27027649
+H      0.86011047     -0.44410721     -0.11017343
+H      3.12709364     -2.04681139      0.44353298
+H      4.06457962     -0.79018969      1.43359079
+H      4.04320807     -1.00764742     -1.69703426
+H      4.97654498      2.52328344      0.05884947
+H      4.06843239      2.28670493     -1.47033700
+H      3.12715435      1.58684465      1.36103008
+H      2.16771405      2.14992669     -0.03762768 
+
+15
+-1547.9261536569882 9.730979 10.76276 -9.6869 -7.4374 -10.701 0.8863 -0.0961 2.746 10.40493 -2.71345 8.1914822508 10.8584831038 0.143340383
+O      1.64710236     -0.07351839     -0.90292383
+C      2.82145478      0.10086144     -0.14885131
+C      3.49729620     -1.05934416      0.53725560
+C      4.14309566     -0.39964561     -0.67074625
+C      5.14170306      0.70309311     -0.39016260
+O      4.53134121      1.53080648      0.62324803
+C      3.11276612      1.48509541      0.41743386
+H      0.92291548     -0.26961646     -0.28162354
+H      3.06059593     -2.04285892      0.36315532
+H      3.94016586     -0.89792516      1.52285244
+H      4.18086295     -0.94608308     -1.61292618
+H      6.10343703      0.36068891      0.02054411
+H      5.33307871      1.28476630     -1.31300345
+H      2.64039010      1.69404236      1.39024457
+H      2.77473456      2.23947779     -0.32048679 
+
+15
+-1542.1178535220356 9.632519 10.70291 -9.3629 -7.2107 -11.496 0.8715 -0.1655 2.544 11.273 -2.27712 8.917197106 13.3959309854 0.097495813
+O      1.02187073     -0.14769614     -0.12793560
+C      2.41130175      0.00386942     -0.00584074
+C      3.33734803     -0.57828820     -1.10661387
+C      4.38475288     -0.33299267      0.00684994
+C      3.30898878     -0.76025316      1.03039796
+O      4.41412030      1.12003227      0.13279468
+C      2.99368208      1.42479546      0.12067313
+H      0.59694434      0.29353790      0.62972104
+H      3.44841942     -0.01797292     -2.04451420
+H      3.13973112     -1.64214643     -1.28639646
+H      5.40712715     -0.72073620     -0.01380677
+H      3.10598249     -1.83805388      1.02541308
+H      3.39836064     -0.36180485      2.05071572
+H      2.74074438      2.06589913     -0.73910320
+H      2.70498591      1.93063027      1.05880529 
+
+13
+-1463.5656980549927 10.164397 10.74233 -9.3395 -7.2274 -9.055 1.2025 -0.3406 0.569 8.62084 0.16107 4.3615423122 11.4447509048 0.18669834
+O      1.10027727     -0.05640121     -0.44263664
+C      2.20602729      0.22539307     -0.08477810
+C      3.40360353     -0.43851581      0.73490903
+C      3.57202604      0.99975492      1.31081830
+C      3.19236306      1.47946660     -0.12248764
+C      4.26176986      0.80833130     -0.95963279
+C      4.39754710     -0.42536051     -0.40816881
+H      3.28751256     -1.33050955      1.35720355
+H      2.82108380      1.25756845      2.07259732
+H      4.59249370      1.25574966      1.63204268
+H      2.86584342      2.49737289     -0.35404472
+H      4.68373038      1.19441307     -1.88462801
+H      4.95640199     -1.28211289     -0.77747418 
+
+15
+-1587.1229192570297 10.588173 11.4014 -8.6841 -6.5011 -8.303 0.8944 -0.0633 1.393 7.84902 -0.73968 5.3089937298 11.4481481212 0.258099515
+O      0.98847466     -0.29071231     -0.36686918
+C      2.21731752      0.28523190      0.01847648
+C      3.51354177     -0.44444493     -0.45709463
+C      4.21303986      0.93662343     -0.20013693
+C      2.86834735      1.48238494     -0.79111025
+C      2.92387787      0.87879032     -2.19755815
+C      3.34201499     -0.38008684     -1.98182571
+H      0.27835547      0.15825571      0.12177002
+H      2.23873203      0.48377584      1.10547112
+H      3.85554751     -1.37924086      0.00254129
+H      4.36538947      1.17051004      0.86509090
+H      5.11621148      1.13758040     -0.78974183
+H      2.54852729      2.52418639     -0.66547930
+H      2.64629043      1.37181128     -3.12601348
+H      3.50304229     -1.19421531     -2.68407036 
+
+17
+-1741.5469603281804 10.757859 11.8716 -9.7847 -7.5419 -11.4 0.9275 -0.0174 2.917 11.0771 -2.65811 9.2668252274 12.9577892586 0.142220184
+O      1.08261155     -0.07764186      0.05893946
+C      2.50365907      0.00715671      0.00230991
+C      3.09370001      1.05315505     -1.00132176
+C      2.71457418      0.03583135     -2.11888212
+C      3.08850052     -1.00576756     -1.02020904
+C      4.59827251     -0.76582443     -0.84647589
+C      4.60177879      0.80364063     -0.82574882
+H      0.75873265      0.71186026      0.52553641
+H      2.93976109     -0.00437819      1.02001967
+H      2.74522655      2.09508679     -1.01335582
+H      3.31209552      0.04374398     -3.04275890
+H      1.64271755      0.03717415     -2.34286857
+H      2.72906614     -2.04187047     -1.04739746
+H      4.98697167     -1.19910248      0.08693288
+H      5.17943058     -1.17995091     -1.68244946
+H      5.19242381      1.23855172     -1.64461085
+H      4.98599781      1.20890528      0.12249037 
+
+15
+-1614.7238635751837 10.235222 11.25215 -8.9679 -6.9228 -10.201 1.269 -0.3631 0.62 9.36223 0.12642 3.9930807174 11.7952965226 0.155451966
+O      1.12381760      0.02807963      0.06272554
+C      2.33156714      0.01321153      0.09780656
+C      3.46351132      1.06029461      0.02925965
+C      4.09257950      0.02421870     -0.96342125
+C      3.43920247     -1.05371949     -0.03301665
+C      4.20905798     -0.83023993      1.28659478
+C      4.22714172      0.74189821      1.33290358
+H      3.27819299      2.10594658     -0.23557593
+H      5.19105024      0.01306402     -1.01327813
+H      3.64997719      0.05888376     -1.96655413
+H      3.23007436     -2.07741971     -0.35887117
+H      3.69124314     -1.27209551      2.14906556
+H      5.22054807     -1.25772953      1.23931724
+H      5.24824354      1.14800562      1.31020287
+H      3.71905275      1.14393151      2.22027148 
+
+15
+-1539.4742538265818 9.575779 10.65904 -9.4302 -7.3707 -11.18 0.9338 -0.0205 2.672 10.51332 -2.40988 8.6782016924 11.370012144 0.138846934
+O      1.12164861     -0.10182878      0.22793187
+C      2.52979394     -0.01492614      0.11042930
+C      3.09825299     -0.96404561     -0.97365784
+C      4.62004414     -0.76644350     -0.84811914
+C      4.61544409      0.79863974     -0.80481796
+C      3.09083321      0.99155152     -0.92473980
+O      2.73265741      0.04283748     -1.99337107
+H      0.74505967      0.79028793      0.14914596
+H      3.01203386     -0.03793101      1.10584053
+H      2.67890290     -1.95995781     -1.15591059
+H      5.03633598     -1.22604679      0.05968148
+H      5.14724029     -1.16665206     -1.72263110
+H      5.13744796      1.25017903     -1.65739466
+H      5.02914376      1.21215975      0.12610736
+H      2.68345120      2.00271625     -1.06345435 
+
+13
+-1410.9947967424948 9.111165 10.0615 -9.5299 -7.4126 -10.522 1.1884 -0.6629 0.297 9.74738 0.44739 3.964700322 11.7892832016 0.190217881
+O      1.05532968      0.02760899      0.10669057
+C      2.25730606      0.01076210      0.16979487
+C      3.40512744     -1.01506398      0.01931196
+C      4.22464550     -0.83006785      1.30554015
+C      4.24397683      0.73615596      1.35026415
+C      3.43053802      1.01440445      0.07703002
+O      3.96948698      0.01926469     -0.88438276
+H      3.29163209     -2.00085306     -0.44217528
+H      3.73572057     -1.28525466      2.17838157
+H      5.22890472     -1.25958279      1.19888895
+H      5.25862574      1.14619619      1.26820574
+H      3.76528063      1.15261315      2.24776543
+H      3.34219573      2.02733680     -0.32767537 
+
+17
+-1744.7144578617122 10.762501 11.86563 -9.4566 -7.2466 -10.64 0.8884 -0.0822 3.088 10.30931 -2.80068 8.5868736048 12.7400078496 0.174069606
+O      0.75569688     -0.07065167     -0.19200693
+C      2.12339712      0.02228027      0.14286860
+C      3.08719320     -0.85452643     -0.60670806
+C      2.59877305     -1.47944580     -1.91659949
+C      2.78793776     -0.37903083     -2.98610320
+C      2.66279786      0.96288886     -2.22753403
+C      3.12407757      0.66392492     -0.79979090
+H      0.36090087      0.81011427     -0.06735395
+H      2.31280273      0.14761083      1.21549863
+H      3.85760811     -1.36847035     -0.02977584
+H      3.17214517     -2.38661072     -2.15329513
+H      1.54012407     -1.76795195     -1.83333293
+H      3.80241418     -0.45729900     -3.40997575
+H      2.07550677     -0.46647578     -3.82038917
+H      3.27871082      1.75261094     -2.68024946
+H      1.61876526      1.31731328     -2.24028932
+H      3.91855857      1.26957916     -0.35964306 
+
+15
+-1605.246373485148 10.721917 11.48561 -8.874 -6.6775 -8.859 0.9425 0.0147 1.276 8.41054 -0.6587 5.8569870526 5.8569870526 0.249428759
+O      1.33363062     -0.05135348      1.04247885
+C      2.50239209      0.00546568      0.25474400
+C      2.44932919      0.76435124     -1.04896732
+C      3.76499935      1.22067937     -1.67807612
+C      4.51636773     -0.07384677     -1.91134855
+C      3.77951529     -1.15332640     -1.59491737
+C      2.45151790     -0.77269767     -1.03990559
+H      1.20450201      0.82616585      1.44552951
+H      3.44853666     -0.01927108      0.81146520
+H      1.52146984      1.29660257     -1.26148682
+H      4.32458176      1.90861933     -1.02020067
+H      3.59931050      1.76396907     -2.62512136
+H      5.54122871     -0.10176853     -2.28452413
+H      4.10849267     -2.18889919     -1.69193123
+H      1.55004569     -1.35427998     -1.23784841 
+
+15
+-1543.822852314688 9.551677 10.52998 -9.2183 -7.0351 -10.811 0.9224 -0.0303 2.911 10.51742 -2.63358 8.448344047 10.4132989722 0.150233435
+O      0.81904874      0.15047385     -0.13393865
+C      2.16625139      0.00700020      0.22124245
+C      3.09193763     -0.93424440     -0.55088478
+C      2.57758437     -1.45027827     -1.89324126
+C      2.75740734     -0.23794000     -2.82210397
+O      2.68339944      0.93669014     -1.96876069
+C      3.21868009      0.56786184     -0.70223809
+H      0.82709960      0.69462517     -0.95059233
+H      2.32502119      0.08064924      1.29963683
+H      3.83322776     -1.50895073      0.00491691
+H      3.15808928     -2.31671817     -2.23741367
+H      1.51950932     -1.74575182     -1.82051486
+H      3.74439393     -0.25899711     -3.31864902
+H      1.97420771     -0.13176527     -3.58568480
+H      4.06938221      1.16619535     -0.36877406 
+
+15
+-1537.9704826251634 9.611228 10.65537 -9.2239 -7.0782 -11.242 0.8444 -0.1449 2.688 10.67215 -2.44963 8.9201975672 13.0609208134 0.155877244
+O      1.05427200     -0.05913826      0.04104291
+C      2.47049101      0.03470686      0.00963098
+C      3.07712588      1.07636607     -1.00380270
+C      2.69679302      0.05414171     -2.12300015
+C      3.10269735     -0.94501740     -1.01442892
+O      4.51815692     -0.70700509     -0.83033420
+C      4.55962650      0.76027950     -0.82012232
+H      0.71618589      0.69646157      0.55173440
+H      2.91007820      0.01153488      1.02266998
+H      2.77397961      2.13087433     -1.02230779
+H      3.29360118      0.04643351     -3.04489124
+H      1.62167644      0.04505942     -2.32886677
+H      2.90138366     -2.02136081     -1.03148404
+H      5.19696844      1.12024434     -1.64378617
+H      4.97188391      1.10812934      0.14116603 
+
+13
+-1407.3575751880069 9.135231 10.06274 -8.9764 -6.8758 -10.391 1.0124 -0.8459 0.376 9.63944 0.3679 3.9447509746 11.585499812 0.124533236
+O      1.10515620      0.05535440      0.01283482
+C      2.30820665      0.03713500      0.07344604
+C      3.45950003      1.08014081      0.01077463
+C      4.08820721      0.03991522     -0.98229334
+C      3.45959749     -0.99687597     -0.01119855
+O      4.16970787     -0.76460540      1.22781625
+C      4.19474964      0.70697283      1.30194279
+H      3.29862069      2.13602304     -0.22492336
+H      5.18507061      0.01924713     -1.03483954
+H      3.62830549      0.05478238     -1.97836047
+H      3.35193105     -2.06728368     -0.20417607
+H      5.24165471      1.04793594      1.33063012
+H      3.67127236      1.03974832      2.21149668 
+
+15
+-1544.4974664413505 9.678744 10.65798 -9.2634 -7.0148 -10.727 0.8308 -0.1755 2.895 10.50678 -2.58448 8.5193508292 10.4705929028 0.17312265
+O      0.75247129     -0.08058910      0.02258674
+C      2.14870339      0.01774315      0.16935777
+C      3.02660475     -0.85057525     -0.68746248
+C      2.42953235     -1.40376768     -1.96851420
+O      1.87666909     -0.29768713     -2.69914748
+C      2.48871256      0.91782235     -2.25322735
+C      3.04628849      0.66290731     -0.86652539
+H      0.38260155      0.81948949      0.02154686
+H      2.48316735      0.13760795      1.20720828
+H      3.85662308     -1.39009037     -0.22978676
+H      3.22275131     -1.90826497     -2.55347261
+H      1.60622159     -2.11450147     -1.79806531
+H      3.31423147      1.22529015     -2.92587364
+H      1.71057596      1.69924683     -2.29112813
+H      3.88740577      1.27067874     -0.52876630 
+
+11
+-1259.709121722063 9.001014 9.52068 -9.8461 -7.8602 -9.614 0.7568 -0.8941 0.316 9.7788 0.36436 4.2359072984 11.2880449994 0.193838028
+O      1.06217550     -0.29106915     -0.81456981
+C      2.14566022     -0.07669940     -0.36684233
+C      3.27802641     -0.78723960      0.51554042
+O      3.24821160      0.48542363      1.25339300
+C      3.13148245      1.14687080     -0.05571210
+C      4.34964088      0.67219661     -0.79875270
+C      4.44799018     -0.62607657     -0.41528503
+H      3.12549958     -1.67867397      1.12895968
+H      2.83186332      2.19704026     -0.01584360
+H      4.92758783      1.23138651     -1.52913580
+H      5.12731203     -1.40475911     -0.75046173 
+
+13
+-1384.962425711536 9.374398 10.15333 -9.2242 -7.0732 -8.896 1.2693 -0.4217 1.108 8.42535 -0.49283 5.5842178526 5.5842178526 0.200307572
+O      0.89361851     -0.17930936     -0.37258340
+C      2.21745833      0.12285470     -0.00011956
+C      3.37389428     -0.74171937     -0.59407492
+O      4.24782721      0.41941115     -0.30872818
+C      3.07794111      1.19281223     -0.77803222
+C      2.93744031      0.71918715     -2.22786029
+C      3.13729861     -0.60331658     -2.10386184
+H      0.30329219      0.12285100      0.33741069
+H      2.33273959      0.24613802      1.08775452
+H      3.71611163     -1.68908331     -0.16290768
+H      3.11045181      2.26052847     -0.53328362
+H      2.71598126      1.32525521     -3.10187708
+H      3.13069517     -1.39777930     -2.84475641 
+
+13
+-1404.994818127558 9.456864 10.20551 -8.4138 -6.2751 -8.914 1.0106 0.0049 1.072 8.55233 -0.52925 5.6610891726 12.3732324644 0.211052337
+O      1.27475331      0.00964238      0.95723286
+C      2.49470279     -0.00613202      0.25378386
+C      2.51157294      0.69434715     -1.08023752
+O      3.76736544      1.10675045     -1.62563969
+C      4.49198750     -0.05130306     -1.82963147
+C      3.83135207     -1.18814319     -1.54721714
+C      2.48610630     -0.83633300     -1.01675018
+H      1.15785671      0.90112921      1.33318987
+H      3.41090417     -0.01977493      0.85558516
+H      1.67409287      1.32127844     -1.38686164
+H      5.49909628      0.11004636     -2.20661227
+H      4.21507073     -2.19488244     -1.68371997
+H      1.59477888     -1.42378535     -1.24361187 
+
+17
+-1724.9810500236993 11.04005 12.59108 -9.297 -7.0983 -10.609 0.9469 0.0158 2.959 10.34204 -2.5633 8.5115521098 10.5091525488 0.307040718
+O      1.21820554     -0.27360905      0.14895789
+C      2.60337081     -0.13591600     -0.09591014
+C      3.06281702     -0.45855279     -1.48395080
+C      3.11505306      0.97747457     -0.98390144
+C      4.39559377      1.70077400     -0.68749727
+C      5.73534444      1.00185986     -0.63391006
+C      5.42224998      1.94211447     -1.77383281
+H      0.97317853      0.38017102      0.82760582
+H      3.25456477     -0.44963710      0.72841871
+H      2.28220671     -0.69343786     -2.20759734
+H      3.98690616     -1.02600349     -1.60103600
+H      2.32171771      1.60991015     -1.39465515
+H      4.27849226      2.52086510      0.02799434
+H      5.77844262     -0.06496522     -0.85715620
+H      6.44631223      1.32833721      0.12548578
+H      5.92842203      2.90723427     -1.80773200
+H      5.22249236      1.49472087     -2.74866331 
+
+17
+-1724.6754688584222 11.137737 12.61829 -8.9408 -6.7886 -10.266 0.9355 -0.0506 2.891 10.01683 -3.24785 7.961884976 10.2784146028 0.405220965
+O      0.80048164      0.02976538     -0.43448120
+C      2.17769109      0.01117203     -0.09022886
+C      3.14773684     -0.77423955     -0.93798390
+C      3.17142574      0.75267647     -0.94999175
+C      2.35190081      0.02011930      1.40105450
+C      1.40944823      0.79714341      2.29012935
+C      1.38799207     -0.71625818      2.30162175
+H      0.72871385      0.02399644     -1.40271240
+H      2.75433150     -1.27830865     -1.82311869
+H      3.96115751     -1.30738341     -0.44298365
+H      4.00111122      1.26806866     -0.46324701
+H      2.79367581      1.25474385     -1.84305701
+H      3.40136510      0.00753943      1.70434753
+H      0.57266402      1.29750946      1.80346218
+H      1.83095839      1.31999806      3.14907579
+H      1.79472136     -1.23773806      3.16849758
+H      0.53724479     -1.20006464      1.82246579 
+
+15
+-1526.0791488693462 9.860337 11.23539 -9.723 -7.5385 -11.27 0.85 -0.1221 2.601 10.97206 -2.23913 8.8069239576 10.927382124 0.164171047
+O      1.21930424     -0.20669311      0.19116083
+C      2.60347715     -0.13102912     -0.06344172
+C      3.06158956     -0.64044874     -1.39066215
+C      3.13410997      0.84710551     -1.10057592
+C      4.42068503      1.56892689     -0.87687853
+C      5.72105544      0.90409953     -0.67799825
+O      5.42211359      1.54694022     -1.92847489
+H      0.98836509      0.51276288      0.80535259
+H      3.24798439     -0.33067832      0.80066690
+H      2.28107316     -0.95484200     -2.08324634
+H      3.98249458     -1.22117423     -1.43986066
+H      2.35864009      1.44143175     -1.59048772
+H      4.30820870      2.56364527     -0.42523347
+H      5.79163327     -0.18813954     -0.72098193
+H      6.48467573      1.39629301     -0.06516874 
+
+15
+-1529.9066355159046 9.896871 11.22579 -9.5976 -7.4003 -10.89 0.9841 0.0767 2.473 10.60076 -2.09435 8.1817989442 10.5035607802 0.160019841
+O      0.94432157      0.33808042     -0.68980315
+C      2.25543825      0.15961461     -0.20318080
+C      3.20121661     -0.71763598     -1.00056461
+C      3.34091599      0.79391679     -1.02087990
+C      2.36294133      0.15982371      1.29222066
+C      1.41070147      0.89417965      2.13927055
+O      1.29923175     -0.54345593      1.98169692
+H      0.40401488     -0.34638200     -0.24697673
+H      2.78253835     -1.18979018     -1.88875763
+H      3.94842861     -1.30349079     -0.46306454
+H      4.18394964      1.25029828     -0.50052039
+H      3.01155529      1.31610949     -1.91901932
+H      3.36599823     -0.04007973      1.68956670
+H      0.61704848      1.47267226      1.65813960
+H      1.72027956      1.22306941      3.13628264 
+
+17
+-1726.995808234633 11.729317 12.96466 -9.5885 -7.3538 -9.648 1.3333 -0.0173 1.225 9.10176 -0.65905 6.6701492336 6.6701492336 0.454144564
+O      1.00373929     -0.29764356      0.08968982
+C      2.40513497     -0.29990268     -0.08701077
+C      2.89561088     -0.59791697     -1.47232505
+C      3.07298833      0.79278952     -0.88432808
+C      4.44839959      1.30761682     -0.49070846
+C      4.38420333      2.40622702      0.53355454
+C      4.94450600      2.36401336      1.74777296
+H      0.79950616      0.35236147      0.78572645
+H      2.97446759     -0.72339025      0.74964065
+H      2.13107160     -0.72045383     -2.23973494
+H      3.77386960     -1.23595748     -1.58305406
+H      2.38521319      1.54426545     -1.28331353
+H      4.96072595      1.68041019     -1.39666536
+H      5.06190599      0.47602574     -0.10598158
+H      3.81802863      3.29920319      0.24164779
+H      5.51811413      1.49460128      2.08034572
+H      4.85656478      3.19628073      2.44772392 
+
+15
+-1570.512056156886 11.269912 12.77959 -9.7199 -7.453 -9.877 0.8411 -0.1289 2.194 9.48113 -1.81302 4.3706428846 10.5419840416 0.37671592
+O      1.13422353     -0.28591333      0.16680360
+C      2.52181900     -0.07335366      0.02457179
+C      3.13718403     -0.56687450     -1.24991142
+C      3.03441036      0.92391920     -0.98876513
+C      4.28117202      1.74592117     -0.69086925
+C      5.00910858      2.14637085     -1.89190451
+C      5.59989332      2.47270591     -2.90093703
+H      0.77422170      0.44355768      0.70221911
+H      3.10465716     -0.19811424      0.94600677
+H      2.45287414     -0.98993187     -1.98514927
+H      4.12015501     -1.03757285     -1.20249013
+H      2.26284634      1.44179147     -1.56298498
+H      4.95727968      1.16492339     -0.03998664
+H      4.00664941      2.64916569     -0.11833657
+H      6.12425571      2.76318511     -3.78809634 
+
+15
+-1546.9489410104215 10.071008 11.28256 -9.7284 -7.4741 -11.039 1.0784 -0.9746 -0.172 10.24315 0.79997 3.6699608028 10.7684072748 0.172784019
+O      0.76771198     -0.44717300      0.01733243
+C      2.03566068     -0.56524801     -0.58417939
+C      2.33112072      0.35554091     -1.73050120
+C      3.05065143      0.53590599     -0.40347001
+C      4.51183525      0.21031602     -0.24063838
+C      4.91695829     -0.15608456      1.16978715
+O      4.15845927     -0.22875889      2.11928910
+H      0.89527768     -0.57242899      0.97575353
+H      2.41901765     -1.59105064     -0.65505356
+H      1.56148638      1.08697754     -1.97655459
+H      2.88487275     -0.04230694     -2.58245650
+H      2.69171589      1.37000499      0.20338378
+H      5.16424532      1.04694919     -0.55737175
+H      4.81885631     -0.63165810     -0.88960959
+H      6.01137039     -0.36621552      1.29819898 
+
+15
+-1527.3175891715077 10.893719 11.95444 -8.8402 -6.6851 -9.516 1.0218 0.0127 1.164 9.05784 -0.66397 6.4149364512 6.4149364512 0.454562687
+O      0.56331253      0.72892978     -0.35112088
+C      1.65006686     -0.05306245      0.08499482
+C      2.16095981     -1.08711619     -0.88005527
+C      3.00033127      0.13031645     -0.54273995
+O      4.11870528     -0.00118946      0.31329359
+C      5.23038742     -0.55664485     -0.27553498
+C      6.40619005     -0.63515873      0.35677932
+H      0.62160884      1.59371696      0.09374209
+H      1.64989582     -0.33262527      1.14454810
+H      1.70514186     -1.11454239     -1.87016840
+H      2.46479894     -2.04826246     -0.46546213
+H      3.09682024      0.90689392     -1.30877171
+H      5.07502184     -0.93840963     -1.28977396
+H      6.54009147     -0.25061276      1.36771717
+H      7.25146775     -1.09824290     -0.14665783 
+
+17
+-1742.958049683084 10.784665 11.8499 -9.8621 -7.6512 -11.776 0.9452 -0.0031 3.001 11.36753 -2.69871 9.6055549794 10.4011731414 0.106866192
+O      0.98538134      0.09695637      0.07240525
+C      2.41590915      0.00492261      0.03068427
+C      3.02353172     -1.13213073      0.92117423
+C      3.82646118     -0.26462748      1.90976334
+C      4.49818364      0.75667881      0.94366546
+C      3.02821362      1.22425376      0.73448926
+C      2.81546348      0.87287201      2.23717315
+H      0.62400443     -0.68456793     -0.37924145
+H      2.75758485     -0.06249166     -1.01840437
+H      3.65940365     -1.82658871      0.35192455
+H      2.22462646     -1.70561686      1.41489674
+H      4.39229018     -0.78245291      2.69516544
+H      5.05328980      0.36641654      0.07556235
+H      5.09703120      1.51024144      1.47285278
+H      2.77407387      2.20567033      0.31573218
+H      3.24683704      1.63480688      2.90044233
+H      1.80194440      0.59834753      2.56075449 
+
+15
+-1617.259811872472 10.282849 11.24225 -8.9804 -6.9473 -10.394 1.3985 -0.3815 0.453 9.4848 0.30037 3.8460209228 12.060180213 0.182809216
+O      1.08474744      0.02043254      0.07591440
+C      2.29903358      0.03013607      0.03092506
+C      3.27429161     -1.16738981      0.06764796
+C      4.58700539     -0.36729748     -0.02798146
+C      4.25448098      0.66559533     -1.14446544
+C      3.24720277      1.21566859     -0.07600613
+C      4.33066552      0.79448248      0.97632192
+H      3.09694703     -1.84621725     -0.77967954
+H      3.16104880     -1.73924488      1.00055692
+H      5.52736044     -0.93071391     -0.02757474
+H      3.84917208      0.29700550     -2.09846843
+H      5.07362350      1.37538649     -1.32166133
+H      2.79548062      2.21143677     -0.12028083
+H      5.15732397      1.51689396      1.00726499
+H      3.99628628      0.54578558      1.99444666 
+
+15
+-1540.9049785367044 9.606785 10.65899 -9.2993 -7.2603 -11.208 0.8785 -0.0813 2.747 10.4239 -2.48372 8.884278823 10.4090214552 0.091997401
+O      1.00008720      0.06904021     -0.01210976
+C      2.42106260     -0.03003092     -0.01680601
+C      3.02216757     -1.16943672      0.87221499
+C      3.80721843     -0.26626893      1.84699213
+C      4.50598940      0.75133467      0.91834268
+C      3.02547695      1.15874602      0.75845973
+O      2.81063732      0.77448735      2.16564298
+H      0.64281907     -0.72460246     -0.44521464
+H      2.80491941     -0.05932506     -1.05306509
+H      3.65762385     -1.87483469      0.31821257
+H      2.22664410     -1.71664081      1.39532450
+H      4.28099094     -0.71278845      2.72983074
+H      5.06428247      0.38636074      0.04295410
+H      5.07246594      1.50216706      1.48042941
+H      2.67957477      2.16781201      0.50680168 
+
+13
+-1412.780835821381 9.084869 10.02352 -9.1214 -7.041 -10.639 1.0334 -0.8421 0.175 9.80874 0.5654 3.803828487 8.2574799986 0.113236571
+O      1.04039445     -0.00551496     -0.04696889
+C      2.25147528     -0.02013451     -0.03878569
+C      3.23262667     -1.21315590      0.02071831
+C      4.51439337     -0.36522435     -0.03793303
+C      4.25426242      0.66752168     -1.15756386
+C      3.25147379      1.15041942     -0.08403984
+O      4.20365049      0.69715363      0.95502998
+H      3.08127082     -1.90692811     -0.81830794
+H      3.14072466     -1.76298772      0.96665028
+H      5.48571646     -0.84626961      0.12019038
+H      3.87572210      0.31970338     -2.12985475
+H      5.08378311      1.37534786     -1.26982649
+H      2.88127640      2.17416918      0.02520154 
+
+17
+-1746.31020826991 10.820505 11.93389 -9.7373 -7.5047 -10.741 0.9323 -0.027 2.928 10.37738 -2.66413 8.7670252628 11.223522685 0.210347087
+O      1.17277779      0.00803050      0.56067209
+C      2.54928161      0.03713095      0.13473150
+C      2.80258931     -1.29720726     -0.59106310
+C      2.45962283     -1.03687993     -2.05897857
+C      3.51856704     -0.38413133     -2.91634615
+C      2.44984398      0.46879455     -2.27286426
+C      2.79206161      1.12734655     -0.93538736
+H      0.95516294      0.88849851      0.91274741
+H      3.20875846      0.16500269      1.01397478
+H      2.17144245     -2.07926953     -0.14787256
+H      3.85269162     -1.60763094     -0.46759331
+H      1.71509492     -1.66725620     -2.54605536
+H      4.53456369     -0.31988368     -2.51615579
+H      3.46726388     -0.53658092     -3.99552841
+H      1.69937156      0.93123859     -2.91479698
+H      3.84251286      1.46368622     -0.90494628
+H      2.16925345      2.01395123     -0.74033765 
+
+15
+-1624.2394810741832 10.255551 11.2785 -9.2301 -7.1732 -10.52 0.9903 -0.7644 0.347 9.58277 0.4113 3.756031884 11.8067156332 0.263673506
+O      1.94211765      0.04078899      1.63775422
+C      2.53712845      0.01337674      0.57759495
+C      2.95198251     -1.25829822     -0.17903759
+C      3.92393269     -0.80391704     -1.24687662
+C      5.14710367     -0.04888883     -0.78211975
+C      3.94634275      0.72485932     -1.27381628
+C      2.98864702      1.24487232     -0.22321006
+H      2.03878205     -1.69486601     -0.61861020
+H      3.34993389     -1.99898621      0.53030147
+H      3.98766621     -1.36533635     -2.17919012
+H      5.37064807     -0.03331160      0.28829055
+H      6.02750266     -0.07311238     -1.42454063
+H      4.02606915      1.25097099     -2.22529446
+H      3.40844379      1.99818894      0.45974118
+H      2.08840942      1.69218935     -0.67842667 
+
+13
+-1438.7427265065521 9.073297 10.03007 -10.1364 -8.0451 -11.319 1.3226 -0.1956 0.215 10.27981 0.43345 4.3673944514 12.0676565688 0.128690471
+O      1.61011638      0.31219439      1.19020692
+C      2.38959856      0.09439029      0.29633558
+C      3.00194265     -1.24540971     -0.12620910
+C      3.98849743     -0.90133195     -1.21682770
+C      5.10941477      0.06260024     -0.86232886
+C      3.82745472      0.58285773     -1.44245843
+O      2.87755476      1.10636212     -0.51394667
+H      2.18933657     -1.89402255     -0.48567661
+H      3.43850138     -1.72931960      0.75885589
+H      4.12258306     -1.57957950     -2.05860468
+H      5.30508208      0.27416910      0.19088302
+H      5.98867646      0.06377772     -1.50661236
+H      3.76486117      1.06373170     -2.41725698 
+
+15
+-1553.070746173531 9.594225 10.63774 -9.7728 -7.6342 -11.779 0.9314 -0.0866 2.712 11.01882 -2.43972 9.0113148786 10.9205380968 0.205112516
+O      1.57046896      0.11282504      1.10271437
+C      2.57488109      0.05657378      0.08025529
+C      2.45823323     -1.29582028     -0.65595349
+C      2.88090419     -0.99830881     -2.07506524
+O      4.11873541     -0.24656410     -2.17229412
+C      2.85764535      0.45994546     -2.29402876
+C      2.41737117      1.14322019     -1.01955665
+H      1.78834381      0.85029404      1.69774781
+H      3.57588610      0.13818087      0.53338651
+H      1.40343474     -1.61698914     -0.64515327
+H      3.05681039     -2.08360710     -0.17782278
+H      2.71244191     -1.71908104     -2.87988191
+H      2.66750717      0.90757286     -3.27414231
+H      2.99052384      2.05631466     -0.79998311
+H      1.35236264      1.41607358     -1.10215233 
+
+13
+-1427.7288587394967 9.105362 9.98115 -9.5274 -7.458 -10.736 0.9681 -0.9255 0.141 9.799 0.5947 3.7337887956 10.8271890374 0.28358174
+O      1.54636186      0.03128667      1.39188826
+C      2.37302024      0.01357617      0.50350083
+C      2.96152296     -1.25632186     -0.13840264
+C      4.04477674     -0.75964405     -1.06253607
+O      5.07367594     -0.01015346     -0.37648170
+C      4.04968592      0.72245770     -1.08752695
+C      2.96988010      1.25719400     -0.18073238
+H      2.16134617     -1.78513535     -0.68246468
+H      3.33148436     -1.93552297      0.64269760
+H      4.38750518     -1.35819018     -1.91061603
+H      4.39612239      1.28981800     -1.95533362
+H      3.34453994      1.95975632      0.57712877
+H      2.17316820      1.77277902     -0.74229140 
+
+13
+-1449.0599922164631 10.822875 11.8633 -9.4342 -7.3863 -10.179 0.7853 -1.0334 0.174 9.7666 0.61918 3.7494978218 10.5735136814 0.841883914
+O      1.51899534     -0.02501206      1.39288387
+C      2.38221935     -0.01897430      0.54716128
+C      3.18180979      1.09485379     -0.14207231
+C      4.13876988     -0.01664635     -0.70741173
+C      3.15092818     -1.12419612     -0.18943468
+C      4.42312972      0.00974936     -2.12693640
+C      4.64380097      0.03206860     -3.32117351
+H      3.62217867      1.85936654      0.51156121
+H      2.59378799      1.58958830     -0.92911385
+H      5.07851191     -0.04196982     -0.13569958
+H      2.54984358     -1.56836241     -0.99652111
+H      3.56947715     -1.92784963      0.43073025
+H      4.83978746      0.05172408     -4.37377342 
+
+13
+-1448.0663534264256 10.858975 11.80535 -9.2591 -7.1944 -9.813 0.6751 -1.0727 0.193 9.51116 0.6108 3.7104174346 10.8004700544 0.286201386
+O      1.09463641     -0.03474331      0.31713159
+C      2.28489366     -0.01298290      0.14293012
+C      3.32248404      1.09323865     -0.07845326
+C      4.31164013      0.00870406     -0.59082155
+C      3.36983669     -1.13117839     -0.06250957
+C      3.06492870     -2.26752622     -0.89607669
+C      2.78336459     -3.19710536     -1.62529081
+H      3.61981771      1.55749464      0.87420718
+H      3.01831493      1.88738553     -0.77301628
+H      4.37984252     -0.01191724     -1.68470152
+H      5.31862757      0.01829074     -0.15981000
+H      3.69037883     -1.45822836      0.94299725
+H      2.53266423     -4.01745183     -2.26603646 
+
+17
+-1732.019817500363 11.693483 12.55222 -9.308 -7.1238 -9.287 0.879 -0.0817 1.456 8.75166 -0.86922 6.590909781 6.590909781 0.490317226
+O      0.96759416     -0.32744418      0.01828453
+C      2.37863232     -0.17704816      0.04575909
+C      2.97263566      1.03523860      0.84797828
+C      4.07880158      0.09399113      1.39055570
+C      3.19833352     -1.11998012      0.99673098
+C      2.89372419     -0.21959196     -1.36369830
+C      2.14207489     -0.37713857     -2.45785089
+H      0.65372018     -0.29670887      0.93726034
+H      2.27245091      1.33474511      1.64293997
+H      3.26466542      1.92683530      0.27668908
+H      4.99867959      0.14895107      0.79222158
+H      4.34803754      0.19547388      2.44950630
+H      3.67560034     -2.00149163      0.54833068
+H      2.56352658     -1.44612929      1.83506743
+H      3.97940146     -0.11019475     -1.45699173
+H      1.05987908     -0.48804140     -2.38467636
+H      2.59471259     -0.39661616     -3.44983669 
+
+15
+-1572.8311566557404 11.114503 12.1615 -9.6917 -7.4553 -9.65 0.8614 -0.1247 2.308 9.5294 -1.8935 4.3638360532 10.9788611112 0.338175082
+O      0.83821173     -0.03631033      0.17339589
+C      2.25910015     -0.01353014      0.06277783
+C      3.05694743      1.07318511      0.86662253
+C      4.12783204     -0.00179309      1.18427524
+C      3.08927586     -1.09859503      0.83547764
+C      2.59125611      0.01176311     -1.35912242
+C      2.92946383      0.03418031     -2.52410165
+H      0.62958770     -0.05302575      1.12467598
+H      2.48476083      1.35373210      1.76450078
+H      3.35261279      1.98058474      0.32601553
+H      4.95125635      0.02087508      0.45855421
+H      4.54548751     -0.01012837      2.19855129
+H      3.41153199     -1.98098756      0.26927542
+H      2.52606260     -1.42159619      1.72472428
+H      3.20989307      0.05369599     -3.55737255 
+
+17
+-1730.4223084100697 11.553501 12.53955 -9.4074 -7.1843 -9.527 1.0362 -0.0474 1.264 8.98892 -0.68368 6.594319396 6.594319396 0.419278924
+O      0.74221330     -0.08057182      0.39870301
+C      2.13859882     -0.09258062      0.12003842
+C      2.92056429      1.03815900      0.81165072
+C      4.07237526      0.02947789      1.09240124
+C      3.04325596     -1.12842417      0.84194147
+C      5.23367086      0.01265042      0.14251399
+C      5.52555608      0.91136973     -0.80567482
+H      0.31528472     -0.75830661     -0.15331927
+H      2.32287050     -0.09811140     -0.96799016
+H      2.41155996      1.31444539      1.74582339
+H      3.13264984      1.94924933      0.23733236
+H      4.46366727      0.05121886      2.12204576
+H      3.38817084     -2.00309583      0.27239697
+H      2.57171530     -1.45436314      1.77974738
+H      5.90272085     -0.84862852      0.26712590
+H      4.90695456      1.79397659     -0.98239345
+H      6.40370159      0.79311490     -1.44154291 
+
+15
+-1575.2545481851876 11.232306 12.39662 -9.7416 -7.4708 -9.781 0.9155 -0.0849 2.277 9.35501 -1.837 4.3319840498 10.3281453874 0.217490444
+O      0.90759174      0.01700372      0.15308305
+C      2.32424346     -0.03469269      0.04081914
+C      3.05201393      1.04578375      0.86013623
+C      4.13745450     -0.02254981      1.24089134
+C      3.10150483     -1.12594010      0.82516437
+C      5.33426863      0.01715557      0.42053830
+C      6.33485897      0.05014192     -0.26857667
+H      0.52413866     -0.58306757     -0.50952733
+H      2.64006916     -0.00913939     -1.01634077
+H      2.45255471      1.31215161      1.74172323
+H      3.38824686      1.95329194      0.34496156
+H      4.42136773     -0.03292386      2.30310968
+H      3.48539062     -1.99605545      0.27797847
+H      2.51835861     -1.45098107      1.69785826
+H      7.21644759      0.07890143     -0.87540885 
+
+17
+-1732.977578181924 11.903075 12.92612 -9.2204 -7.0998 -9.52 1.4496 -0.0809 1.205 8.97968 -0.61628 6.574543629 6.574543629 0.482535166
+O      1.00152991     -0.54184358      0.63724502
+C      2.25502027     -0.02427473      0.22310534
+C      2.74442301      1.20387038      1.00747479
+C      4.18357288      0.63537180      0.88501150
+C      3.56891584     -0.77724921      0.63288449
+C      4.20614132     -1.70757209     -0.33654364
+C      4.46669216     -3.00386490     -0.11612357
+H      0.76500965     -1.27680578      0.04435731
+H      2.26467307      0.17723996     -0.86516382
+H      2.37935723      1.15004777      2.04337896
+H      2.52902037      2.19869342      0.59630566
+H      4.69717305      1.01074126     -0.01249578
+H      4.85564617      0.73827831      1.74590149
+H      3.37917962     -1.27804771      1.59630527
+H      4.46601409     -1.27461077     -1.31162110
+H      4.23359706     -3.47568168      0.84176216
+H      4.92576430     -3.63328245     -0.88000409 
+
+15
+-1577.2294533448373 11.350351 12.54864 -9.5269 -7.3309 -9.784 0.9539 -0.0181 2.148 9.37846 -1.74953 4.3365219374 10.0771233318 0.282909958
+O      0.95178209      0.00361826      0.06872483
+C      2.36547925     -0.00405256      0.04300693
+C      3.03727803      1.07254993      0.91157014
+C      4.13488049      0.03750010      1.27369992
+C      3.13878862     -1.09795002      0.86820860
+C      3.61722791     -2.28398653      0.19502956
+C      4.01742784     -3.25701065     -0.41473767
+H      0.62943540     -0.63603703     -0.59040033
+H      2.75449748      0.01455338     -0.99032390
+H      2.39749762      1.29891987      1.77675662
+H      3.33623543      2.00853940      0.42402547
+H      4.98671944      0.07508789      0.58212644
+H      4.50589000      0.01846961      2.30515258
+H      2.51195885     -1.36472983      1.73480115
+H      4.37354155     -4.12135182     -0.93678035 
+
+15
+-1550.5313383246246 9.880308 10.81161 -9.6444 -7.4369 -10.774 0.859 -1.0863 0.019 9.97637 0.64695 3.680338431 10.3554223074 0.093321839
+O      0.91271911      0.23587103      0.12177829
+C      2.32207494      0.07565384      0.06134464
+C      3.23880235      1.04226456      0.88386695
+C      4.12787171     -0.17015914      1.26345186
+C      2.99006488     -1.12322449      0.81455011
+C      2.65644983      0.08586185     -1.42374812
+O      3.77709645     -0.03279546     -1.88090887
+H      0.64866246      0.23682175      1.05764288
+H      2.68014791      1.44187500      1.74361977
+H      3.70198486      1.87326293      0.33571481
+H      5.00210788     -0.24956726      0.60671494
+H      4.44920038     -0.24040690      2.31021437
+H      3.25709328     -2.00096838      0.21142248
+H      2.34935833     -1.43948961      1.65144728
+H      1.75887561      0.21544029     -2.08032138 
+
+15
+-1550.8088330760245 10.009799 11.00847 -9.6858 -7.5249 -11.04 1.0063 -0.9424 -0.079 10.11455 0.72525 3.7199023636 11.8036035846 0.12307298
+O      0.92905741      0.13207337      0.18180948
+C      2.33974119      0.03220018      0.04263425
+C      3.10639007      1.01160394      0.95403824
+C      4.12165079     -0.14891937      1.25442580
+C      3.08352241     -1.15916231      0.71193469
+C      5.38244665     -0.00829720      0.44475726
+O      5.69690796     -0.69622375     -0.51020673
+H      0.51399493     -0.42689019     -0.49737405
+H      2.64473552      0.14436181     -1.01229405
+H      2.50820921      1.25087890      1.84340329
+H      3.49098751      1.94039739      0.51001437
+H      4.41165968     -0.23110033      2.31431991
+H      3.47132382     -1.95100507      0.05835397
+H      2.47455923     -1.58561151      1.52001772
+H      6.04705362      0.83089414      0.78293585 
+
+15
+-1551.60094884231 10.040208 11.1088 -9.6107 -7.4273 -10.954 0.9125 -1.036 -0.15 10.12312 0.81148 3.6640218734 12.1583275306 0.098643741
+O      0.98830292      0.09831981     -0.06525780
+C      2.40285740      0.01895126     -0.00182110
+C      3.06714561      1.05475172      0.92433694
+C      4.07336527     -0.03940133      1.37996913
+C      3.05940676     -1.10525941      0.84071705
+C      3.60216089     -2.32257140      0.15505396
+O      3.41011665     -2.59809100     -1.01799123
+H      0.68811425     -0.48669560     -0.78278764
+H      2.85011696      0.02981881     -1.01069482
+H      2.37557931      1.31928564      1.73693215
+H      3.46575387      1.97026826      0.46914908
+H      4.99916093     -0.02414651      0.78792906
+H      4.32863190     -0.08423347      2.44502426
+H      2.38710628     -1.41885048      1.65814406
+H      4.23551101     -2.99069630      0.79750690 
+
+17
+-1746.2251476775095 10.750339 11.84214 -9.7894 -7.5964 -10.906 0.8968 -0.0462 2.958 10.52046 -2.6073 8.761408697 11.277394602 0.157614978
+O      1.10441013      0.19363941      0.26444103
+C      2.50525820     -0.01037051     -0.01861415
+C      2.69278729     -1.47749543     -0.44609050
+C      2.65634806     -1.49306305     -1.99269373
+C      3.13124878     -0.09828446     -2.41352695
+C      2.11212450      1.01011211     -2.38067290
+C      3.03880341      0.81411628     -1.19830015
+H      0.96472422      1.15293613      0.35158480
+H      3.09155005      0.21491582      0.89089717
+H      1.94300692     -2.12691733      0.02780108
+H      3.68621381     -1.80787525     -0.10546555
+H      3.30835966     -2.27682244     -2.40367120
+H      1.63961183     -1.69284379     -2.36514576
+H      3.97262190     -0.00840945     -3.10292133
+H      2.28354361      1.88637056     -3.00734882
+H      1.06453134      0.73174737     -2.24918230
+H      3.80202630      1.56969405     -1.00344075 
+
+15
+-1625.4787236636673 10.335739 11.26629 -9.0266 -7.0273 -10.428 1.1734 -0.5351 0.363 9.42989 0.38344 3.7959057816 11.6544856224 0.183488606
+O      1.76422052      0.21069946      1.27499287
+C      2.57744096      0.01750429      0.38599499
+C      2.76204558     -1.30144496     -0.38572856
+C      4.20623080     -1.27044797     -0.92117051
+C      4.60788272      0.20642350     -0.93709865
+C      3.67529865      1.15196880     -1.61810208
+C      3.60195954      0.99066471     -0.09783853
+H      2.01079346     -1.33640476     -1.19136187
+H      2.54973262     -2.14835222      0.27816015
+H      4.87025669     -1.81595095     -0.23379985
+H      4.30903282     -1.73370660     -1.91407555
+H      5.66678766      0.46327572     -0.88726487
+H      4.07393181      2.10522465     -1.96409527
+H      2.85468657      0.75818756     -2.22085236
+H      3.86225960      1.83643876      0.53665009 
+
+13
+-1483.7667432651508 10.307351 10.72097 -9.094 -7.1594 -9.843 -0.0155 -1.7018 -0.582 9.22452 1.15903 3.5422676214 11.5019084508 0.306862978
+O      0.99904267     -0.09899496      0.05374322
+C      2.20388334      0.10088742     -0.02233477
+C      2.93295495      1.35776342      0.31090506
+C      4.24157044      1.22452475      0.00718826
+C      4.56222142     -0.14178690     -0.50134773
+C      4.33144799     -1.24632718      0.51617665
+C      3.25190465     -0.88813659     -0.49750472
+H      2.44358849      2.22204243      0.75649707
+H      5.00892802      1.98604003      0.15646433
+H      5.31431417     -0.28556689     -1.27712014
+H      4.84258946     -2.19818098      0.36296285
+H      4.18495423     -0.95224554      1.55693338
+H      2.98028016     -1.62405898     -1.25233347 
+
+15
+-1604.3058829005834 10.638409 11.3459 -8.9601 -6.7689 -8.927 1.0954 -0.2825 1.297 8.44602 -0.6743 5.898571957 5.898571957 0.234984376
+O      1.00424082     -0.24108453      0.13414058
+C      2.39117214      0.11235461     -0.04671430
+C      2.67543883      1.37895789      0.73637680
+C      3.72356466      1.23494225      1.56079352
+C      4.27531868     -0.15282730      1.51570819
+C      3.31256502     -1.22943367      1.98491037
+C      3.40483912     -0.89391517      0.51393465
+H      0.83732582     -1.04222281     -0.39192064
+H      2.58141176      0.27402710     -1.12703177
+H      2.04431138      2.26256847      0.64164425
+H      4.11147042      2.00580220      2.22890697
+H      5.34933253     -0.33057013      1.58584896
+H      3.73665785     -2.18473868      2.29766243
+H      2.42064090     -0.90800687      2.52503515
+H      3.84342007     -1.63048338     -0.15970516 
+
+15
+-1553.7534424903656 9.540755 10.55348 -9.7125 -7.5526 -11.626 0.9286 0.0237 2.616 11.04888 -2.4841 8.9391798238 10.8502380348 0.1866591
+O      1.81456773      0.49625680      0.98149774
+C      2.71557370     -0.00081622     -0.00812132
+C      2.39341142     -1.43686748     -0.50182276
+C      2.90762750     -1.51658821     -1.95386766
+C      2.85029639     -0.08015873     -2.43944580
+O      1.60251202      0.59107796     -2.13064088
+C      2.75987958      0.82421935     -1.28339220
+H      0.94139227      0.56338393      0.55088432
+H      3.71042557      0.03737766      0.46736411
+H      1.30207640     -1.56851918     -0.48075658
+H      2.82915910     -2.20167735      0.15336313
+H      3.95612125     -1.85504934     -1.99389170
+H      2.31787119     -2.19984068     -2.58249555
+H      3.31190909      0.22054492     -3.38426892
+H      3.14252679      1.84840656     -1.27999593 
+
+13
+-1424.9336293513593 9.146247 9.97071 -9.3626 -7.2979 -10.753 0.7253 -1.1483 -0.042 9.84259 0.74698 3.7087436236 7.7467940632 0.162777266
+O      1.83221297      0.19953932      1.37031757
+C      2.54488908     -0.03405117      0.41169919
+C      2.78376767     -1.40003254     -0.24497757
+C      4.16352557     -1.29810731     -0.92984022
+C      4.39365306      0.19394421     -1.10832008
+O      3.28838317      0.85743438     -1.74057555
+C      3.42456683      0.96745900     -0.29659504
+H      1.97672003     -1.57245084     -0.97263887
+H      2.71784560     -2.19065328      0.51181443
+H      4.95387380     -1.70866701     -0.28248146
+H      4.21261753     -1.82785439     -1.89165892
+H      5.38192024      0.59746473     -1.34543772
+H      3.59701445      1.96641489      0.10899425 
+
+11
+-1277.2006910778014 9.031883 9.41908 -9.5106 -7.4786 -10.453 -0.5559 -2.3849 -1.083 9.73485 1.60676 3.3824868632 5.0170686928 0.237597761
+O      0.99118279     -0.06591068     -0.10130506
+C      2.19180219      0.13376730     -0.02832685
+C      2.89317602      1.44854314      0.07587251
+C      4.22737161      1.26959311      0.00401112
+C      4.56494361     -0.19157670     -0.08380781
+O      4.13664645     -0.93009593      1.09496525
+C      3.29370730     -0.92897903     -0.08562795
+H      2.35888471      2.38708966      0.21420829
+H      4.98413264      2.05281840      0.05120036
+H      5.47369692     -0.55552346     -0.56623202
+H      3.12151576     -1.89181581     -0.57062783 
+
+13
+-1405.4452587181117 9.491158 10.0925 -9.5727 -7.4228 -9.597 0.8766 -0.7244 0.928 9.08524 -0.33336 6.1819171628 12.933661583 0.362657933
+O      0.95965129      0.00990223      0.03353028
+C      2.39195159      0.07244903     -0.02875222
+C      2.87039120      1.40609971      0.49969297
+C      3.66002053      1.26711347      1.57877900
+C      3.84396903     -0.17448231      1.90868775
+O      4.50214045     -0.93991261      0.84196813
+C      3.06786235     -0.93680698      0.91178868
+H      0.66643207     -0.70784827     -0.55486395
+H      2.74719634     -0.07671915     -1.06584667
+H      2.61867183      2.34336545      0.00353304
+H      4.14439596      2.07744589      2.12274369
+H      4.05622884     -0.52926261      2.91933084
+H      2.57956852     -1.89309386      1.12483847 
+
+15
+-1607.7967294184707 11.350507 11.79395 -9.4775 -7.2607 -9.162 1.0445 -0.4585 1.173 8.78389 -0.49059 6.1797598064 6.2710754954 0.24987787
+O      0.94447626     -0.21012933     -0.55506124
+C      2.28710564      0.01565350     -0.05552198
+C      3.11820802     -1.19356127     -0.39677206
+C      4.04633098     -0.91439097     -1.32335165
+C      4.02073654      0.53246291     -1.74649542
+C      3.01675886      1.14333073     -0.78424378
+C      2.82312581      2.44510716     -0.54674355
+H      0.45487782      0.62411720     -0.43787309
+H      2.24067880      0.20759186      1.03378500
+H      2.92757927     -2.17241635      0.04216636
+H      4.74381095     -1.63838955     -1.74726657
+H      5.00665770      1.01888126     -1.66938411
+H      3.70570317      0.63307585     -2.80065181
+H      3.35974296      3.22015254     -1.09760167
+H      2.11589722      2.78594445      0.21396557 
+
+15
+-1613.4923234897353 11.887575 11.78806 -8.6685 -6.6189 -8.392 0.5211 -0.9923 0.279 7.88035 0.28224 4.9838404448 4.9838404448 0.630130355
+O      1.10609957     -0.00892483      0.21248209
+C      2.53706879     -0.02241668      0.02818510
+C      2.89394611     -1.26218916     -0.82156081
+C      3.26732412     -0.68969455     -2.16245663
+C      3.32175873      0.65937016     -2.13899495
+C      2.99628188      1.16881347     -0.81253138
+C      3.05181171      2.44160906     -0.37266100
+H      0.84271314      0.92459521      0.30274444
+H      3.03565108     -0.03520446      1.01402068
+H      2.02982760     -1.94302155     -0.87066340
+H      3.73045675     -1.83336636     -0.38486305
+H      3.48260939     -1.30958308     -3.03389203
+H      3.58889567      1.29932159     -2.98083506
+H      2.82622958      2.69653806      0.66501510
+H      3.33241587      3.26275313     -1.03418909 
+
+17
+-1750.3427705441316 11.44493 12.36942 -9.354 -7.1356 -9.325 1.0351 -0.3134 1.277 8.70068 -0.61886 6.3681317362 6.3681317362 0.397870045
+O      0.96803165      0.07322027      0.04161786
+C      2.39425262      0.00134049      0.03948116
+C      2.98839405      1.14788011      0.86472657
+C      4.41144826      0.65978907      1.16973744
+C      4.22831143     -0.84528812      1.46432213
+C      3.00906884     -1.25628880      0.65573552
+C      2.52298367     -2.49408726      0.51755065
+H      0.62723317     -0.68064557     -0.46984916
+H      2.77024359      0.08696862     -1.00286138
+H      2.39978105      1.23991208      1.79249226
+H      2.94987523      2.11141935      0.33957134
+H      5.05360915      0.79692172      0.28449189
+H      4.88175170      1.20316886      2.00021261
+H      5.11799124     -1.44708103      1.22823331
+H      4.01579691     -0.99664531      2.53607744
+H      1.61647724     -2.69794085     -0.05856209
+H      2.99922020     -3.35669364      0.98737244 
+
+17
+-1701.3876749598276 10.294051 11.43102 -9.7271 -7.4975 -11.501 0.8564 -0.152 2.712 11.22696 -2.43072 9.1181908106 10.413398161 0.085393655
+O      1.08648196      0.03986714     -0.26499387
+C      2.49244177      0.01001509     -0.04477442
+C      2.95347762      1.17801898      0.82512191
+C      4.31523804      0.71434490      1.41872530
+C      4.40274061     -0.81621078      1.15763881
+C      2.98406234     -1.21748741      0.73541960
+O      2.85521403     -2.45140960      0.02235779
+H      0.84771184     -0.82178458     -0.65434099
+H      3.03170290      0.02951622     -1.01884349
+H      2.20317554      1.32393324      1.61752760
+H      3.02432734      2.11972929      0.26525204
+H      5.15792414      1.23776048      0.94632197
+H      4.36871820      0.94073036      2.49247099
+H      5.09465240     -1.02528438      0.32305203
+H      4.76232584     -1.38963937      2.02196904
+H      2.33278636     -1.33682938      1.61843719
+H      3.52221906     -2.44711019     -0.68942149 
+
+11
+-1301.8170360630745 9.407107 9.58598 -9.1446 -7.1062 -10.527 -1.0816 -2.9393 -1.878 9.79287 2.3438 2.5173373524 4.7631205676 0.255968091
+O      1.14983879      0.01413685      0.53147529
+C      2.30206212     -0.01320013      0.16238302
+C      3.17271291     -1.24454838     -0.09023012
+C      4.48585165     -0.65375534     -0.52585602
+C      4.49786811      0.69780954     -0.55914549
+C      3.19179965      1.24069433     -0.15042519
+O      2.82864192      2.40058947     -0.05806055
+H      2.71785333     -1.89332671     -0.85608719
+H      3.25807701     -1.85555419      0.82288808
+H      5.33999386     -1.28135094     -0.78717514
+H      5.34020065      1.32637550     -0.84388670 
+
+13
+-1440.2928498971173 9.345203 10.14942 -9.0468 -6.9797 -10.547 -0.771 -2.6922 -1.489 10.16993 1.80791 2.6605907768 12.0277702726 0.306574784
+O      1.12972863     -0.04131345      0.51898162
+C      2.28798020      0.02123478      0.16558596
+C      3.17124834      1.24791673      0.02643425
+C      4.32222099      0.81290930     -0.90498422
+C      4.53435304     -0.68837919     -0.61744129
+C      3.16179744     -1.21950699     -0.24560793
+O      2.76745156     -2.36617806     -0.24980257
+H      3.55406781      1.48574592      1.03527628
+H      2.59963501      2.12052501     -0.31424195
+H      4.01694178      0.94686241     -1.95383765
+H      5.23364335      1.40419551     -0.75346901
+H      4.98012408     -1.26242733     -1.43965941
+H      5.18451778     -0.82902464      0.26479592 
+
+13
+-1432.0458231393866 9.611539 10.20565 -9.6772 -7.5591 -9.846 0.6864 -1.1773 0.026 9.87602 0.71228 3.7134798888 6.1598476548 0.26837092
+O      0.96869547      0.02686154      0.11432423
+C      2.38442392     -0.05174530      0.06999154
+C      2.93926213     -1.25197596     -0.64929591
+C      3.95844978     -0.92036351     -1.45993286
+C      4.22317062      0.56464535     -1.48850192
+C      3.01502082      1.10725279     -0.72677697
+O      2.52361812      2.21706635     -0.79572477
+H      0.75384686      0.97680402      0.01195043
+H      2.80016481     -0.00914457      1.10315863
+H      2.56590340     -2.26044691     -0.47449807
+H      4.54491656     -1.63101762     -2.04307756
+H      5.15094595      0.84770403     -0.95935965
+H      4.28842156      1.00546980     -2.49493711 
+
+15
+-1559.663457938075 10.231341 10.9016 -9.5075 -7.2906 -9.375 1.1629 -0.3124 1.043 8.89203 -0.42674 6.1227882394 6.1227882394 0.303313301
+O      1.30629562     -0.01882129      0.64557170
+C      2.55160315     -0.07023697     -0.04558872
+C      2.60078131     -1.28656451     -0.98801898
+C      3.46176828     -0.79409179     -2.12346667
+C      3.60225926      0.54087304     -2.10665345
+C      2.86103547      1.15722523     -0.94654265
+O      3.54705315      2.21766212     -0.26251352
+H      1.33906105      0.74590716      1.24751598
+H      3.38848460     -0.14824028      0.67889263
+H      1.57761909     -1.51470644     -1.33477965
+H      2.98418457     -2.19588600     -0.50172933
+H      3.87658825     -1.45908447     -2.88286075
+H      4.13417710      1.14121052     -2.84647370
+H      1.91203303      1.61704557     -1.27653052
+H      4.44654606      1.89543813     -0.06578236 
+
+13
+-1437.908006642088 9.792132 10.17468 -9.4615 -7.4351 -10.288 -0.1126 -1.85 -0.738 9.46365 1.347 3.537196594 5.3595924164 0.389204707
+O      1.22808659     -0.04231223      0.63217096
+C      2.49547406     -0.01794198      0.00464027
+C      2.79931571     -1.24423369     -0.86928631
+C      3.47492411     -0.65143603     -2.07843696
+C      3.40039206      0.69624710     -2.12779082
+C      2.64339063      1.17463084     -0.95838766
+O      2.14066886      2.27290153     -0.75231510
+H      0.94349161      0.89483677      0.67635535
+H      3.30570506      0.09038629      0.75729195
+H      1.85459658     -1.73620291     -1.15459438
+H      3.42006420     -2.00500546     -0.37313383
+H      3.95414910     -1.27402234     -2.83645279
+H      3.76415144      1.34420212     -2.92372070 
+
+15
+-1577.0126858784308 9.770607 10.75215 -9.5725 -7.4941 -10.704 0.7066 -1.0692 0.069 9.82141 0.6721 3.7271555446 12.7459343804 0.183893117
+O      1.02770177      0.01855670     -0.22543299
+C      2.42316020      0.05479527     -0.03812938
+C      2.96699988      1.16664593      0.86494839
+C      4.39142426      0.66310834      1.19602636
+C      4.23606767     -0.86158318      1.38166184
+C      2.96032765     -1.21031587      0.62848106
+O      2.36415339     -2.27454770      0.60932899
+H      0.78210657     -0.92866201     -0.14828459
+H      2.94859313      0.12345705     -1.01974372
+H      2.34581266      1.22119586      1.77379651
+H      2.95707722      2.15372094      0.38578309
+H      5.06733802      0.87683240      0.35366950
+H      4.81244892      1.15628446      2.08112133
+H      5.08585394     -1.46240134      1.02798497
+H      4.07407471     -1.13848683      2.43578863 
+
+13
+-1515.0422399176746 11.173371 10.9356 -8.3687 -6.5834 -8.822 1.0673 -0.4016 0.542 8.74845 0.00641000000002 4.5521707872 6.0749544406 0.692664453
+O      0.97459985     -0.04538446      0.13738693
+C      2.34194849      0.03504629      0.01530746
+C      3.02346810      1.25758352     -0.05112449
+C      4.41559748      1.27032965     -0.17512946
+C      5.13375701      0.07277112     -0.23352319
+C      4.44370955     -1.14325831     -0.16633305
+C      3.05443993     -1.17033967     -0.04241318
+H      0.61248408      0.85815368      0.16504580
+H      2.46544958      2.19690372     -0.00588053
+H      4.93850034      2.22691577     -0.22619422
+H      6.21973628      0.08624121     -0.33038986
+H      4.99289778     -2.08547535     -0.21093667
+H      2.50661153     -2.11170718      0.01103446 
+
+19
+-1898.1862410896113 11.34778 12.52244 -9.9368 -7.6435 -11.693 0.8566 -0.1233 2.928 11.38106 -2.66995 9.6193794184 10.2299360768 0.144528779
+O      1.00077945     -0.02632230      0.10256896
+C      2.44236680      0.02659750      0.03403882
+C      2.90821525     -1.32884862     -0.50458667
+C      2.53561475     -1.53091316     -1.97961819
+C      3.05390307     -0.37910802     -2.85090488
+C      2.55255757      0.97516231     -2.33218293
+C      2.92980028      1.17787851     -0.85895171
+H      0.68981690      0.83807639      0.42197066
+H      2.84912754      0.16444164      1.05490890
+H      2.47603636     -2.12527475      0.12026330
+H      4.00409398     -1.38278749     -0.38622264
+H      2.93726169     -2.49250536     -2.33601138
+H      1.43857718     -1.59055364     -2.06765670
+H      4.15969136     -0.38467877     -2.84654308
+H      2.74411334     -0.52320146     -3.89812838
+H      2.96137431      1.79733376     -2.94028866
+H      1.45526950      1.01747300     -2.43427801
+H      4.02817865      1.24401462     -0.76048042
+H      2.52962202      2.13453584     -0.48028701 
+
+17
+-1771.58906885685 10.918064 11.97251 -9.0466 -6.9938 -10.466 0.9123 -0.6855 0.318 9.54821 0.42371 3.748902689 10.8355208966 0.120157843
+O      1.04916091      0.04812393      0.26972956
+C      2.26064780      0.01868498      0.10245289
+C      3.03991936     -1.28518117      0.01089647
+C      4.00572858     -1.30206444     -1.18994350
+C      4.90090515     -0.05896258     -1.21228579
+C      4.06246885      1.22322092     -1.22533837
+C      3.09734064      1.28334827     -0.02530845
+H      2.32407950     -2.11759669     -0.01729462
+H      3.62606672     -1.37862954      0.94378780
+H      4.61281906     -2.21995397     -1.16310694
+H      3.41664010     -1.34328977     -2.12241531
+H      5.55709251     -0.06123741     -0.32324853
+H      5.56307192     -0.08610933     -2.09156359
+H      4.71016127      2.11333373     -1.22363119
+H      3.47538627      1.26483381     -2.15905410
+H      3.68743493      1.37681118      0.90509064
+H      2.41938645      2.14577808     -0.07752699 
+
+15
+-1629.3549883612884 10.781956 11.44984 -9.1894 -7.094 -9.554 0.9449 -0.7379 0.283 9.55984 0.4555 3.7394053614 6.2451996172 0.284525355
+O      1.04891088      0.11033862      0.87551101
+C      2.11522373      0.03420677      0.28333801
+C      2.83054725      1.24398197     -0.28642722
+C      4.31429767      1.28243117      0.12618098
+C      4.98103731     -0.05456976     -0.04745711
+C      4.30309003     -1.20972787     -0.10230964
+C      2.80769919     -1.30355076      0.04708533
+H      2.28844448      2.15104228      0.01002052
+H      2.77808775      1.15566098     -1.38671051
+H      4.40139827      1.60738399      1.17890924
+H      4.84123176      2.04939983     -0.46307000
+H      6.07165181     -0.06863687     -0.12187956
+H      4.84494523     -2.15072558     -0.23100541
+H      2.35585428     -1.74759512     -0.86031974
+H      2.52444036     -1.97982966      0.86952412 
+
+15
+-1632.6215922148872 11.0469 11.45822 -9.027 -7.083 -10.043 0.1209 -1.5881 -0.606 9.19572 1.21938 3.4599657146 5.3222106374 0.442260734
+O      0.86372707     -0.05336186     -0.17165058
+C      2.08810218     -0.01592853     -0.06062507
+C      2.83315488      1.27784930      0.24992463
+C      4.25356007      1.29236876     -0.32393679
+C      5.04524771      0.05850224      0.12233828
+C      4.25885087     -1.20739504     -0.04957917
+C      2.91449160     -1.23667376     -0.16468985
+H      2.22480079      2.11792883     -0.11174547
+H      2.86973276      1.36171718      1.35189874
+H      4.77872914      2.21332163     -0.02971621
+H      4.19645634      1.29620971     -1.42533947
+H      5.33349450      0.15025166      1.18774899
+H      5.99545279     -0.01891386     -0.42986140
+H      4.81903043     -2.14771428     -0.07513155
+H      2.37122889     -2.17322197     -0.30768508 
+
+15
+-1615.2794545953873 11.257888 11.50758 -9.46 -7.2544 -9.025 1.0018 -0.1559 1.128 8.78402 -0.80884 5.7351212132 6.8746269448 0.586105592
+O      1.13719840     -0.13083230     -0.64673941
+C      2.52486035     -0.05751372     -0.21629835
+C      2.77109831      1.20799457      0.55695882
+C      3.24803908      1.23147897      1.81010281
+C      3.63322042     -0.00492211      2.56496640
+C      3.38390151     -1.27165026      1.80324778
+C      2.90614189     -1.29332435      0.55039457
+H      0.60376498     -0.15724464      0.16988540
+H      3.07529297     -0.02551345     -1.17386989
+H      2.50286273      2.13689530      0.04714644
+H      3.37737920      2.18826428      2.32397816
+H      4.69935205      0.05222897      2.85814893
+H      3.09271359     -0.03700012      3.53046697
+H      3.61667595     -2.21144508      2.31200740
+H      2.73966858     -2.24315606      0.03580398 
+
+15
+-1611.8029875953198 11.437391 11.55965 -8.3522 -6.2766 -8.192 0.5065 -1.0544 0.405 7.77884 0.15929 4.5428718372 4.5428718372 0.234992096
+O      0.87751854     -0.05793178      0.05511105
+C      2.32531600      0.01785722      0.09448559
+C      2.84365554      1.33956817     -0.54578908
+C      3.82153241      1.20507328     -1.67939211
+C      4.23625037      0.01071688     -2.13958538
+C      3.72714041     -1.23203064     -1.56526206
+C      2.83731115     -1.23758885     -0.55513268
+H      0.53434480      0.54482448      0.73813629
+H      2.63674257     -0.01340927      1.15703047
+H      3.28378836      1.98526054      0.23268021
+H      1.96001242      1.89156119     -0.91658573
+H      4.16686235      2.13029957     -2.14754504
+H      4.94190222     -0.04626382     -2.97056161
+H      4.07659096     -2.17847604     -1.98408453
+H      2.44711190     -2.17303094     -0.14915539 
+
+15
+-1613.4465250851738 12.073926 11.99813 -8.5031 -6.4969 -8.356 0.6259 -0.9108 0.352 7.82834 0.19416 5.0170810914 5.0170810914 0.636950026
+O      1.15309055      0.15191720     -0.61393959
+C      2.45688190     -0.03414399     -0.03312065
+C      2.60282775     -1.32726124      0.81609348
+C      3.23001971     -0.87634323      2.12745058
+C      3.74785353     -1.66169883      3.09048505
+C      3.17923426      0.58363739      2.13317747
+C      2.73386710      1.06742264      0.95618999
+H      1.09588429     -0.41347670     -1.40325994
+H      3.21617138     -0.00561431     -0.84037002
+H      3.18538045     -2.11495897      0.31862828
+H      1.58958243     -1.71738726      1.00139603
+H      3.75130883     -2.74895883      3.00305349
+H      4.18668471     -1.23146581      3.99215698
+H      3.48625817      1.18468163      2.99033790
+H      2.60399494      2.11755032      0.69530097 
+
+17
+-1756.7923527406576 11.331493 12.13675 -9.2127 -6.9931 -9.127 0.9031 -0.103 1.339 8.6034 -0.70749 6.2376488698 6.2376488698 0.350764871
+O      1.22245049     -0.05152673      0.85412911
+C      2.46814355      0.04104682      0.14290454
+C      2.49360802      1.20816969     -0.84622162
+C      3.84858864      1.28576241     -1.56454958
+C      4.30920619     -0.06797113     -2.03656970
+C      3.76769071     -1.21754112     -1.60712627
+C      2.66260163     -1.28689653     -0.58650094
+H      1.10376324      0.77798746      1.34870971
+H      3.30225981      0.17008032      0.86309148
+H      2.28506677      2.15464405     -0.31960063
+H      1.68394769      1.05764827     -1.57969619
+H      4.61321759      1.72143391     -0.89409529
+H      3.78351372      1.97891940     -2.41950833
+H      5.12420428     -0.09548132     -2.76557048
+H      4.13776975     -2.16767600     -2.00268706
+H      1.70732668     -1.56179054     -1.07063850
+H      2.86699123     -2.08455896      0.14613974 
+
+17
+-1751.7602988112255 11.561189 12.52167 -9.2251 -6.9952 -9.246 1.0431 -0.2 1.324 8.61433 -0.66848 6.3409912008 6.3409912008 0.418057952
+O      1.02056363      0.06653555     -0.17333571
+C      2.43636057     -0.04510674      0.00442533
+C      2.94933461      1.14056147      0.82844374
+C      4.32887850      0.67522041      1.32499836
+C      4.22261363     -0.84507188      1.42268856
+C      5.15269360     -1.66147397      1.93199571
+C      2.89354473     -1.26707889      0.82564889
+H      0.73663775     -0.63545503     -0.78297865
+H      2.94221451     -0.05198360     -0.98154912
+H      2.25602761      1.28518946      1.67295945
+H      2.97689798      2.07500746      0.25257662
+H      5.11263061      0.94073928      0.59598678
+H      4.61815352      1.13456617      2.28099305
+H      5.01918883     -2.74502231      1.94300291
+H      6.07988987     -1.27170325      2.35784083
+H      2.95783620     -2.19867803      0.24422239
+H      2.14900385     -1.42196608      1.62712088 
+
+17
+-1754.8053309662846 11.357894 12.08834 -9.3883 -7.1789 -9.235 0.9538 -0.1861 1.366 8.6723 -0.72711 6.356886206 6.356886206 0.365989546
+O      0.90462969      0.13625905     -0.29588140
+C      2.29532023      0.01689373      0.09562821
+C      3.11322247      1.26393315     -0.27397662
+C      3.44146694      1.28850463     -1.76851449
+C      4.28958159      0.06856604     -2.14364264
+C      3.74290745     -1.19939191     -1.54788075
+C      2.83201331     -1.22566818     -0.56367537
+H      0.49504235      0.79627497      0.29114964
+H      2.34294796     -0.12877745      1.19311285
+H      2.55486483      2.16590467      0.02499696
+H      4.04719311      1.25775899      0.31582136
+H      3.96313016      2.21850100     -2.03990555
+H      2.49765988      1.26425491     -2.33717813
+H      5.33461578      0.20820024     -1.80542118
+H      4.34995127     -0.03850747     -3.23940331
+H      4.11542803     -2.14448048     -1.95501588
+H      2.43859495     -2.17792588     -0.19961370 
+
+11
+-1314.3955369293183 9.906046 9.59069 -8.9878 -7.079 -9.165 -0.4087 -2.0282 -1.167 8.70461 1.75905 3.9448873592 6.908871878 0.48357261
+O      0.99884149      0.11349763      0.23198654
+C      2.19056773     -0.04324328      0.08945680
+O      2.99978554      1.15599236      0.01829786
+C      4.33439486      1.09726568     -0.13903184
+C      5.02607745     -0.06857918     -0.24308351
+C      4.29117638     -1.28985575     -0.18109261
+C      2.93442018     -1.27714384     -0.02181694
+H      4.78575137      2.09015715     -0.17227677
+H      6.10620977     -0.04894167     -0.36915917
+H      4.81935600     -2.24198194     -0.26192261
+H      2.34476923     -2.19112714      0.02916225 
+
+15
+-1583.9800721437907 9.793093 10.7273 -9.7555 -7.6926 -11.162 0.855 -0.347 0.245 10.1353 0.40169 4.3177752542 11.1701715092 0.137704368
+O      1.30803943      0.17944565      0.79760905
+C      2.32458308      0.07445102      0.14302785
+C      3.01642017     -1.26393541     -0.07993821
+C      4.03814145     -1.31280064     -1.21816594
+C      4.89672827     -0.05210217     -1.16698961
+C      4.00205664      1.16534898     -1.30378827
+O      2.91016827      1.21427378     -0.33982758
+H      2.22275230     -2.01459503     -0.18992264
+H      3.51359799     -1.48606705      0.87997183
+H      4.65144699     -2.22223619     -1.13818904
+H      3.51965613     -1.36350682     -2.19042328
+H      5.45458986     -0.00660851     -0.21678847
+H      5.63684337     -0.03227540     -1.98156242
+H      4.55155409      2.10285348     -1.14520765
+H      3.54800196      1.19896429     -2.30892561 
+
+13
+-1441.4940732834093 9.693934 10.2105 -10.0212 -7.7438 -9.764 1.4419 -0.3233 0.206 10.15867 0.42408 4.3235282046 6.3483063748 0.282294807
+O      0.90846284      0.13354451      0.01980651
+C      2.11836232      0.05205928      0.01204630
+C      2.83551646     -1.28693300      0.04969053
+C      4.33038579     -1.23536593      0.02364648
+C      4.98669512     -0.07449482     -0.01981003
+C      4.29484606      1.24357794     -0.04629706
+O      2.84622698      1.20753606     -0.02983478
+H      2.43919521     -1.87421118     -0.79542154
+H      2.46845733     -1.80966407      0.94895612
+H      4.87430215     -2.18249705      0.04182698
+H      6.07821287     -0.03702872     -0.03804886
+H      4.59328451      1.85778738      0.82072858
+H      4.57331236      1.81151959     -0.95060923 
+
+13
+-1444.502281321904 9.626246 10.15378 -9.3544 -7.2519 -9.714 1.0677 -0.7097 0.083 10.26869 0.52532 4.3349349166 6.1962375458 0.208234385
+O      0.99565209     -0.08699976      0.62075768
+C      2.14077155     -0.03506495      0.24039564
+C      2.85196404      1.20596726     -0.25582278
+C      4.32638269      1.26934183      0.16354545
+C      4.96935195     -0.05921431     -0.10484584
+C      4.23238520     -1.17421438     -0.10711842
+O      2.87275092     -1.21873981      0.18865075
+H      2.27164697      2.07353908      0.07877716
+H      2.79169417      1.16870079     -1.35745092
+H      4.41289588      1.52966988      1.23405679
+H      4.83446678      2.07333414     -0.38868937
+H      6.03850829     -0.13836335     -0.29869696
+H      4.61343948     -2.17675644     -0.29662920 
+
+17
+-1695.350947992085 10.274715 11.29875 -9.5173 -7.358 -11.367 0.9097 -0.0748 2.8 10.79849 -2.53501 9.0746841232 10.5798741632 0.107811636
+O      1.03494252     -0.02873797      0.19027391
+C      2.46475807      0.00781441      0.05339694
+C      2.91084527     -1.35744111     -0.48055644
+C      2.52818294     -1.51000143     -1.95838877
+C      3.02275100     -0.30952240     -2.76209431
+O      2.52124750      0.92896810     -2.23741269
+C      2.93889743      1.11725875     -0.88852833
+H      0.69157032      0.86909338      0.04199278
+H      2.92814174      0.19031646      1.04433642
+H      2.45549451     -2.14918704      0.13238054
+H      4.00476737     -1.43892600     -0.36016795
+H      2.95649381     -2.43392546     -2.37801902
+H      1.43370563     -1.57729410     -2.05029250
+H      4.13358612     -0.28064161     -2.76489150
+H      2.67918713     -0.34972069     -3.80521058
+H      4.04711264      1.17733322     -0.82976023
+H      2.53488601      2.09485349     -0.57726828 
+
+15
+-1566.4157896119711 9.849893 10.76548 -9.1028 -7.0055 -10.618 0.8252 -0.9514 0.119 9.77017 0.6088 3.714310595 10.7599762268 0.117760479
+O      1.15610593      0.10296867      0.57902668
+C      2.29966454      0.01103778      0.16053607
+C      2.99997780     -1.32096658     -0.04894766
+C      4.01861326     -1.29501393     -1.20014010
+C      4.84991483     -0.01829214     -1.15215926
+O      4.01325036      1.13996908     -1.23546930
+C      3.14841764      1.25461512     -0.10565398
+H      2.23911239     -2.10524721     -0.16208479
+H      3.52887486     -1.52320907      0.90162242
+H      4.67650995     -2.17680953     -1.15121278
+H      3.49167292     -1.33264440     -2.16627492
+H      5.45767178      0.01996444     -0.22382184
+H      5.53287695      0.04697759     -2.01054255
+H      3.73607418      1.45573423      0.81778629
+H      2.48558261      2.11070596     -0.28348428 
+
+13
+-1448.7875015987615 9.336813 10.17909 -9.3688 -7.3171 -10.898 0.2601 -1.5706 -0.308 10.58179 0.6425 3.6864509408 12.3245431622 0.213481039
+O      1.13577212     -0.03476571      0.53256258
+C      2.29784362     -0.01147497      0.17704953
+C      3.13929767      1.25777344     -0.00811585
+C      4.38080237      0.84019396     -0.80526533
+C      4.48055393     -0.68566356     -0.68187050
+O      5.45902975     -1.34796952     -0.96695272
+C      3.15661918     -1.22921696     -0.15212912
+H      3.40627777      1.61153033      1.00182487
+H      2.53088612      2.04784814     -0.46682537
+H      4.26776554      1.06492573     -1.87908411
+H      5.32228837      1.30479739     -0.48493771
+H      2.66476384     -1.87473071     -0.89587345
+H      3.31324973     -1.85686755      0.73868718 
+
+15
+-1576.518610045807 9.884564 10.87572 -9.2245 -7.1728 -10.665 0.9679 -0.8204 0.2 9.73072 0.54629 3.7385002636 13.1268069738 0.117078303
+O      0.98719876      0.05521048     -0.03976180
+C      2.41362156     -0.03434970      0.00849596
+C      2.95852341      1.12644835      0.85720773
+C      4.36934602      0.67882901      1.25628602
+C      4.30163491     -0.85181447      1.30931981
+O      5.16240658     -1.58803001      1.75196560
+C      2.96566463     -1.28981531      0.70176640
+H      0.66234541     -0.60277545     -0.67765326
+H      2.83222903      0.03561787     -1.01465090
+H      2.31526433      1.22081519      1.74679095
+H      2.92566804      2.08212886      0.31873665
+H      5.11534057      0.93785368      0.48493915
+H      4.74252488      1.08742114      2.20454906
+H      3.08540813     -2.17855931      0.06792329
+H      2.29550374     -1.55977033      1.53722534 
+
+17
+-1699.7032177375886 10.33311 11.45596 -9.8289 -7.6102 -11.92 0.8108 -0.1844 2.726 11.54315 -2.45074 9.4922317754 10.4619634772 0.099515411
+O      0.96660076      0.06959387     -0.01675682
+C      2.39713431     -0.00533200      0.01374555
+C      2.95558163      1.12229390      0.88618763
+C      4.38704355      0.66012967      1.17293130
+C      4.27601174     -0.86872114      1.39313889
+O      5.44574076     -1.59630592      1.00152799
+C      2.96525476     -1.28673050      0.66068480
+H      0.64231348     -0.61251792     -0.62930583
+H      2.79522119      0.10888587     -1.01448412
+H      2.36110455      1.16657708      1.81382685
+H      2.89344656      2.10603041      0.40148939
+H      5.02375964      0.84088394      0.28804572
+H      4.86318865      1.17512019      2.01797132
+H      4.18443748     -1.08814675      2.46710628
+H      5.64110244     -1.36281435      0.07578209
+H      3.16400348     -2.09319848     -0.06037499
+H      2.22346501     -1.66460786      1.38110394 
+
+11
+-1268.018654266639 9.555862 10.51792 -10.3825 -8.2492 -10.47 1.2441 -0.5285 0.01 10.53055 0.652 4.370258528 10.7322405586 0.376234975
+O      1.26977096     -0.08524040      0.89393766
+C      2.29745170      0.01271146      0.28548727
+C      3.29940399      1.10419009     -0.07380911
+C      4.07484000     -0.04185354     -0.76283496
+O      2.99328910     -1.00008236     -0.36259577
+C      4.26472672      0.02934795     -2.19321816
+C      4.44588450      0.10948346     -3.38985438
+H      3.79343097      1.57179559      0.78543900
+H      2.90023599      1.86962898     -0.74868260
+H      5.00222008     -0.33290898     -0.24881033
+H      4.59742598      0.17263775     -4.44839862 
+
+13
+-1413.7007860946896 10.293319 10.5842 -8.6925 -6.6392 -9.117 0.8699 -0.7151 0.904 8.74152 -0.37739 5.7470734636 5.7470734636 0.232422781
+O      0.90821713     -0.21707728     -0.19535768
+C      2.32342221     -0.01043668      0.01315566
+C      3.07279107     -1.21884063     -0.47397930
+C      3.80279942     -0.85492407     -1.53428877
+O      3.72355918      0.49314069     -1.85369769
+C      2.91062136      1.07674661     -0.88256576
+C      2.72764471      2.39923685     -0.82714274
+H      0.46857534      0.64274065     -0.06090702
+H      2.51125011      0.21521474      1.07911805
+H      2.98139673     -2.21795369     -0.06140181
+H      4.45343747     -1.42705083     -2.19090673
+H      3.17408677      3.06808617     -1.56090218
+H      2.11817850      2.83007745     -0.03454403 
+
+15
+-1555.3912002484844 10.422101 11.18518 -8.5794 -6.4897 -9.255 0.9348 -0.1687 1.207 8.70137 -0.62309 6.2304080874 6.2304080874 0.385361553
+O      0.95879079      0.09152837      0.02476381
+C      2.38077644      0.03125626     -0.00274691
+C      2.97744553      1.16844553      0.82957131
+C      4.34263527      0.60154345      1.20151127
+O      4.14950604     -0.83434216      1.32111024
+C      3.00710812     -1.19804673      0.64610467
+C      2.56690464     -2.46176290      0.60288635
+H      0.61442342     -0.67018421     -0.47295987
+H      2.74558398      0.10155155     -1.04789998
+H      2.34918897      1.30446057      1.72243509
+H      3.03723487      2.11899097      0.28553798
+H      5.09763633      0.78959306      0.41871729
+H      4.73122739      0.96118934      2.16296447
+H      1.65251557     -2.70501898      0.06478355
+H      3.09262264     -3.26680410      1.11251072 
+
+11
+-1305.3304253717474 9.707454 9.55606 -9.0752 -7.226 -10.024 0.2195 -1.4413 -1.052 9.07192 1.77162 3.3973527846 6.6711535202 0.570154
+O      0.89561569      0.02477501      0.13270120
+C      2.12899838      0.03585556      0.03787747
+C      2.93055372      1.26498656     -0.01798013
+C      4.27578011      1.22135755     -0.12193133
+O      4.99559425      0.06162810     -0.18320298
+C      4.29573266     -1.11086347     -0.13505284
+C      2.95145656     -1.17867367     -0.03176175
+H      2.42292385      2.22800865      0.02610545
+H      4.93469915      2.08772101     -0.16825969
+H      4.96937794     -1.96524394     -0.19106754
+H      2.46040768     -2.15069136      0.00141216 
+
+17
+-1696.184621954348 10.243514 11.29763 -9.2836 -7.1357 -11.306 0.8319 -0.1869 2.828 10.7107 -2.56724 9.2075475208 12.1799258918 0.099895153
+O      1.01218926     -0.02610360      0.14831131
+C      2.44971291      0.03026018      0.05032099
+C      2.90513481     -1.31406899     -0.52399329
+C      2.54591097     -1.43320659     -2.00525565
+O      3.09057919     -0.34929323     -2.77015892
+C      2.55615296      0.90031584     -2.32311989
+C      2.91860946      1.17393795     -0.86283003
+H      0.70436045      0.83123265      0.48925996
+H      2.88321114      0.16216807      1.06001729
+H      2.43874444     -2.13123906      0.04742985
+H      3.99702700     -1.39745718     -0.40690644
+H      2.96762603     -2.35020942     -2.44032162
+H      1.44628928     -1.46159334     -2.12796864
+H      2.98122535      1.66724802     -2.98608444
+H      1.45532618      0.90260773     -2.44854716
+H      4.01286574      1.27484885     -0.77284306
+H      2.47679482      2.13067211     -0.53450025 
+
+15
+-1569.0466528064346 9.84929 10.75268 -9.3318 -7.2645 -10.647 0.8639 -0.8762 0.179 9.71597 0.54723 3.7585983942 11.8027356826 0.147990292
+O      1.05161896      0.03942567      0.35205604
+C      2.25514374      0.01824076      0.13880372
+C      3.04901134     -1.27059086      0.00131762
+C      4.01557530     -1.19916075     -1.19567488
+O      4.84084682     -0.03707681     -1.13952516
+C      4.05190603      1.14830530     -1.22377611
+C      3.08846235      1.27822378     -0.02921016
+H      2.35415172     -2.11702803     -0.08764994
+H      3.64269757     -1.40224261      0.92191769
+H      4.69590006     -2.06166822     -1.20143490
+H      3.44033660     -1.20713318     -2.14318401
+H      4.75860012      1.98896160     -1.24987961
+H      3.47686542      1.15144309     -2.17142621
+H      3.68627488      1.41345812      0.88819563
+H      2.42010910      2.14340213     -0.13867970 
+
+11
+-1310.9106740592158 9.56754 9.62267 -9.5903 -7.604 -11.082 -1.1453 -2.9618 -2.004 10.66871 2.22939 3.1725041736 5.2011011126 0.503113731
+O      1.08905796      0.02485085     -0.48060288
+C      2.26506591      0.00432835     -0.15622822
+C      3.14547905     -1.22739340      0.04128991
+C      4.49916408     -0.65120609      0.44962990
+O      5.51346420     -1.27338810      0.71930380
+C      4.36317663      0.83594927      0.46371667
+C      3.10958748      1.20376459      0.12382704
+H      3.22368571     -1.81617463     -0.88413347
+H      2.73988491     -1.89419507      0.81547139
+H      5.20064829      1.48395427      0.72308962
+H      2.70932576      2.21495995      0.04758623 
+
+13
+-1436.2869476688304 9.947358 10.18451 -9.1316 -7.2043 -9.989 0.2008 -1.5053 -0.807 9.33102 1.40227 3.4803862088 5.0300252298 0.36952991
+O      0.87279127     -0.03506589     -0.41197741
+C      2.07830652     -0.01696432     -0.16720794
+C      2.80891126      1.26331047      0.24799184
+C      4.26518967      1.21284926     -0.17699505
+O      4.94821155      0.02212358      0.31437539
+C      4.24595832     -1.11801150      0.16673580
+C      2.92706214     -1.20424121     -0.14879900
+H      2.30843592      2.13239104     -0.19980476
+H      2.72311797      1.35856361      1.34365708
+H      4.85206443      2.05642516      0.20566389
+H      4.34549036      1.18731089     -1.27766362
+H      4.87724099     -1.99296900      0.33983926
+H      2.46823960     -2.18219209     -0.28763549 
+
+13
+-1421.2804182902603 10.007133 10.17061 -8.8666 -6.8474 -9.067 1.4871 -0.2047 0.829 8.75331 -0.51962 5.3324270838 6.7993054498 0.577137356
+O      1.05703293     -0.13711673     -0.51538008
+C      2.48788148     -0.05610962     -0.25163317
+C      2.82551810      1.18065280      0.52626610
+C      3.31343541      1.13734320      1.77600458
+O      3.63915504     -0.01833458      2.44699670
+C      3.45081968     -1.18899003      1.74997892
+C      2.96960231     -1.26159315      0.49893651
+H      0.62296854     -0.17406248      0.35820129
+H      2.91338517     -0.01961876     -1.26824729
+H      2.61310645      2.15367975      0.08299252
+H      3.52140144      2.01105113      2.39248752
+H      3.76083862     -2.04562945      2.34722428
+H      2.87154483     -2.24268207      0.03387213 
+
+13
+-1436.6903136079775 9.922516 10.30258 -9.2472 -7.2665 -10.323 0.0172 -1.7245 -0.632 9.3935 1.21718 3.551145019 5.5235267056 0.425093784
+O      1.05021352      0.06778087     -0.39281963
+C      2.42626673     -0.04119161     -0.00249904
+C      2.80647900     -1.33311215      0.74687804
+C      3.56225741     -0.86055758      1.99993658
+O      4.18666106     -1.56846468      2.77525549
+C      3.38960553      0.61142799      2.07428559
+C      2.73644516      1.05668962      0.98658159
+H      0.90808569     -0.51933514     -1.15521183
+H      3.07556046      0.09530235     -0.89022178
+H      3.41445703     -2.04423177      0.17209486
+H      1.88945375     -1.84825494      1.07113176
+H      3.76086004      1.20378592      2.90960992
+H      2.45173462      2.08891113      0.77739845 
+
+15
+-1557.765226196682 10.269527 10.89184 -9.6124 -7.4137 -9.539 0.903 -0.5527 1.107 9.00586 -0.48983 6.3325601528 6.3325601528 0.328482729
+O      0.97734884      0.06915161     -0.07897136
+C      2.41936856     -0.03570072     -0.03455079
+C      2.92450511     -1.32083318      0.66380513
+C      3.31102283     -0.91436583      2.10920586
+O      4.51912327     -1.52500395      2.59141468
+C      3.37571823      0.59296262      2.03314278
+C      2.92177436      1.06740510      0.86632886
+H      0.66450831     -0.51779971     -0.78915006
+H      2.81596511      0.06037360     -1.06248973
+H      3.82907430     -1.69572168      0.15971438
+H      2.17240068     -2.12079755      0.63043496
+H      2.54913117     -1.23100055      2.84045849
+H      5.24876588     -1.19469594      2.03463533
+H      3.74360146      1.19099716      2.86877873
+H      2.84031189      2.11891901      0.58854273 
+
+15
+-1557.909117163246 10.23229 10.81234 -8.7072 -6.632 -9.193 0.8546 -0.2293 1.178 8.71608 -0.61776 6.0927712288 6.0927712288 0.29137233
+O      0.89632107      0.15357859     -0.39463287
+C      2.25611549      0.01307160      0.08738003
+C      3.11193167      1.24736816     -0.24192105
+C      3.51730138      1.20496099     -1.70706628
+O      4.33817985      0.04735668     -1.99290858
+C      3.85018569     -1.10779634     -1.45857913
+C      2.86701124     -1.19989154     -0.54381126
+H      0.44203333      0.78091226      0.19671497
+H      2.23405757     -0.12991210      1.18472236
+H      2.54931375      2.17192073     -0.04035543
+H      4.01145552      1.25627197      0.39537086
+H      4.12228107      2.06992872     -2.00632386
+H      2.61515233      1.14795657     -2.34119861
+H      4.37456816     -1.97607609     -1.86250392
+H      2.53892188     -2.18807018     -0.22342723 
+
+11
+-1242.6414475643307 9.650074 10.47063 -9.797 -7.6479 -10.037 0.4488 -1.4643 -0.131 9.75931 0.89423 3.6775115502 11.011940576 0.431515429
+O      1.06501238      0.04475039      0.50698266
+C      2.23450824     -0.01036805      0.24706653
+C      3.34214476      0.97140897     -0.11726859
+O      4.29677795     -0.12358809     -0.20282644
+C      3.30478419     -1.14919426      0.15157675
+C      3.09764066     -2.16971258     -0.84900262
+C      2.88284506     -3.01569129     -1.69249148
+H      3.59233629      1.70288688      0.66914785
+H      3.20099619      1.48979036     -1.08028817
+H      3.52808529     -1.59327671      1.13897123
+H      2.70615900     -3.76451561     -2.43757771 
+
+15
+-1530.0184559070847 10.454264 11.28361 -9.7161 -7.4912 -9.535 1.4586 -0.1596 1.18 9.03343 -0.60548 6.5797014466 6.5797014466 0.492054592
+O      0.97187927     -0.37455640      0.10065418
+C      2.37638347     -0.16454581      0.02792633
+C      2.89227509      1.03739005      0.87628526
+O      3.43642946      0.15107824      1.89540549
+C      3.20644594     -1.00709699      1.04365086
+C      2.81029267     -0.21477149     -1.40298840
+C      2.00032062     -0.42603642     -2.44517231
+H      0.71313111     -0.33576086      1.03746693
+H      2.10378158      1.70007417      1.26779080
+H      3.68096953      1.63891425      0.39327425
+H      4.14996760     -1.41512782      0.64347031
+H      2.64149783     -1.80364292      1.55431997
+H      3.88277331     -0.06251389     -1.55948321
+H      0.93032745     -0.57919364     -2.30226078
+H      2.39102506     -0.44801048     -3.46278970 
+
+13
+-1370.0049468719117 9.937884 10.9648 -10.0828 -7.8281 -9.905 1.0217 -0.1612 1.99 9.8297 -1.64449 4.3903938544 11.1053516284 0.376930498
+O      0.85964726     -0.03834986      0.24912732
+C      2.26760437     -0.01254671      0.01585688
+C      3.04592052      1.02460916      0.88172720
+O      3.48950370     -0.01815154      1.79475786
+C      3.07894583     -1.04834763      0.85248919
+C      2.49693149      0.01136600     -1.41910251
+C      2.74934407      0.03201428     -2.60500884
+H      0.72874201     -0.05470142      1.21532123
+H      2.42039735      1.78432944      1.37528812
+H      3.89019370      1.50033231      0.35672097
+H      3.93773468     -1.48191291      0.31466843
+H      2.47823945     -1.84127993      1.32416390
+H      2.95942557      0.05006879     -3.65504975 
+
+15
+-1533.6765122254506 10.719697 11.4649 -8.7473 -6.6475 -9.393 0.8377 -0.2378 0.947 8.94036 -0.38919 6.2259321928 6.2259321928 0.387903414
+O      1.23747574     -0.34707917      0.04425742
+C      2.63803559     -0.21999157     -0.09031104
+C      3.14605457     -0.68062953     -1.41750422
+O      2.23422297     -1.15612142     -2.35887199
+C      3.19084819      0.82414691     -1.05593761
+C      4.47674675      1.50557512     -0.81465046
+C      5.47085389      1.08656887     -0.01248546
+H      0.89544077      0.45746561      0.47179344
+H      3.21361934     -0.43180895      0.81791743
+H      4.11739125     -1.17954928     -1.46892249
+H      1.35520893     -1.11092364     -1.92944896
+H      2.42152709      1.39779375     -1.57911176
+H      4.62484299      2.42898068     -1.38369456
+H      5.40629324      0.17151036      0.58118389
+H      6.39784870      1.65361225      0.06948636 
+
+13
+-1378.1105879594172 10.403539 11.38632 -9.0127 -6.8915 -9.608 0.7717 -0.3203 1.881 9.28362 -1.50128 4.295123012 9.0347854284 0.333850902
+O      1.08042040     -0.15384379     -0.14651839
+C      2.47635786     -0.02841507     -0.01015959
+C      3.24095314     -0.70774800     -1.10170027
+O      2.53604265     -1.35001564     -2.11820017
+C      3.23770395      0.83671724     -1.02869240
+C      4.40350436      1.55533020     -0.62482309
+C      5.40628107      2.13636124     -0.25478075
+H      0.66448407      0.68445154      0.12096455
+H      2.86168582     -0.05678211      1.01358367
+H      4.18180101     -1.20337286     -0.85660224
+H      1.58654421     -1.24192681     -1.90562160
+H      2.60269790      1.29828046     -1.79035124
+H      6.28906355      2.65559361      0.05677155 
+
+15
+-1531.9811246342704 10.530138 11.4396 -9.4194 -7.196 -9.554 0.9241 -0.3129 1.201 9.05786 -0.63561 6.598410934 6.598410934 0.457558526
+O      0.80227136      0.10693839      0.29335374
+C      2.19605194      0.04876288      0.05829720
+C      3.02129445      1.02969099      0.89608568
+O      3.96404387     -0.02100957      1.26315565
+C      3.04388592     -1.04793218      0.78738627
+C      3.67798577     -2.13599296     -0.00553319
+C      4.96539519     -2.15998415     -0.36977932
+H      0.34301134     -0.33721705     -0.43907861
+H      2.43822416      0.09404776     -1.01562761
+H      2.45726906      1.39748469      1.77084776
+H      3.51489443      1.86596309      0.38031097
+H      2.45467338     -1.46516240      1.62863410
+H      3.00679754     -2.95667737     -0.28440753
+H      5.64020435     -1.35486087     -0.07459400
+H      5.37358723     -2.98577127     -0.95275111 
+
+13
+-1373.017802438967 10.149501 11.23627 -9.6741 -7.489 -9.949 1.0285 -0.3274 1.997 9.57505 -1.63459 4.3767058 11.2267215238 0.277394826
+O      0.87496306      0.07749810      0.15093560
+C      2.27656991     -0.02560276      0.03073753
+C      3.06227530      0.98172331      0.87504421
+O      3.94520756     -0.06911214      1.37370007
+C      3.02318661     -1.10272851      0.88666842
+C      3.66506688     -2.21173246      0.21487321
+C      4.16741125     -3.13995106     -0.38600258
+H      0.46181007     -0.46221971     -0.54484620
+H      2.60602265     -0.05656640     -1.01942129
+H      2.44379180      1.41548284      1.67977292
+H      3.61939808      1.77110012      0.35129055
+H      2.37192994     -1.46144358      1.70588384
+H      4.62477688     -3.95880775     -0.90303627 
+
+15
+-1543.8966720283988 9.647088 10.62759 -9.2467 -7.0822 -10.861 0.8317 -0.1347 2.78 10.45259 -2.44619 8.6274542226 11.0980736502 0.140679434
+O      1.08686682      0.08310043      0.21779072
+C      2.49633332     -0.01401860     -0.04558011
+C      2.79923769     -1.43125092     -0.55507331
+O      2.88104497     -1.36889380     -1.99400085
+C      3.25911109     -0.04931140     -2.34764582
+C      2.14501872      0.95252637     -2.43474687
+C      3.01052943      0.87402042     -1.18252013
+H      0.88151114      1.02172153      0.37240649
+H      3.06363495      0.19461266      0.87974765
+H      2.00413045     -2.13881205     -0.28306234
+H      3.76328831     -1.78460123     -0.14453469
+H      4.14395347      0.01670449     -2.98571971
+H      2.27941827      1.82380793     -3.07722887
+H      1.12954235      0.56152802     -2.36251938
+H      3.68982902      1.69390615     -0.94793279 
+
+13
+-1419.1617612398347 9.209062 10.02688 -9.2753 -7.1971 -10.665 0.8515 -0.9256 0.126 9.70296 0.58744 3.7979019562 11.7072664626 0.156371135
+O      1.42155241      0.21314931      0.84382272
+C      2.47081925      0.04384951      0.24886782
+C      3.02519453     -1.31754310     -0.20089592
+O      4.39767536     -1.13178744     -0.56568145
+C      4.66514330      0.26211634     -0.64253965
+C      3.87797777      1.06348067     -1.61953320
+C      3.48808500      1.06573848     -0.12828891
+H      2.43033551     -1.70558565     -1.04712617
+H      2.96285889     -2.04191455      0.62465681
+H      5.70129623      0.50080939     -0.40422648
+H      4.30862081      1.99521744     -1.98555670
+H      3.22699014      0.54394427     -2.32399172
+H      3.55572080      1.98496534      0.45044285 
+
+15
+-1547.2902912305528 10.332074 11.09213 -9.7142 -7.5114 -9.639 1.0092 -0.5527 1.099 9.02772 -0.46381 6.4891048764 6.4891048764 0.388122682
+O      0.97064103      0.15398210      0.62953513
+C      2.28908659     -0.03654680      0.08275649
+C      3.18665215      1.09706179      0.62485259
+O      4.36215332      0.48076707      1.17586283
+C      3.95489899     -0.81181391      1.65076686
+C      2.97603689     -1.28716419      0.60960138
+C      2.77767006     -2.53326661      0.16972300
+H      0.44197312     -0.62893962      0.39575558
+H      2.24810576     -0.04197183     -1.02087428
+H      2.61831570      1.63815342      1.40371905
+H      3.51832276      1.80602745     -0.14459209
+H      4.85037366     -1.43919003      1.74780052
+H      3.46426357     -0.72685439      2.64243667
+H      2.07629093     -2.74849721     -0.64022744
+H      3.30124547     -3.38719724      0.60399371 
+
+13
+-1427.5786042016255 9.645704 10.18354 -8.9667 -6.8623 -9.586 0.7562 -1.1118 0.041 9.82749 0.67645 3.7122276302 6.0337414942 0.221994899
+O      0.89551386      0.09310516      0.33080274
+C      2.09713200     -0.00258772      0.14411033
+C      2.94348011      1.24674421     -0.07917921
+O      4.31644298      1.17321830      0.34266181
+C      4.93294201     -0.02828672      0.10613834
+C      4.30562595     -1.19747520     -0.08446748
+C      2.81503380     -1.33589603      0.03078832
+H      2.48997696      2.09571650      0.44539913
+H      2.91671777      1.44988052     -1.16825500
+H      6.01846935      0.07936429      0.11425841
+H      4.91024076     -2.08437965     -0.27282175
+H      2.37477435     -1.87159643     -0.82917857
+H      2.52771010     -1.93261723      0.91406292 
+
+13
+-1426.6039785405442 9.978665 10.24452 -9.1773 -7.1543 -10.228 -0.1734 -1.8956 -0.791 9.40699 1.38767 3.4546715124 5.3286455108 0.443670868
+O      0.87033795     -0.04165594      0.05517980
+C      2.09549280     -0.04937062     -0.02679167
+C      2.90106305      1.24833237      0.02452685
+O      4.17399389      1.15303111     -0.61579741
+C      4.96533851      0.09200742     -0.09902033
+C      4.24021434     -1.21575853     -0.03785806
+C      2.89478194     -1.28544957     -0.07594812
+H      2.34216260      2.04036024     -0.48957242
+H      3.00781213      1.53933434      1.09169604
+H      5.35511905      0.34288072      0.91419875
+H      5.83945925      0.01224299     -0.76367932
+H      4.85062155     -2.11998972      0.04761793
+H      2.35192295     -2.23221481     -0.05895204 
+
+15
+-1557.5899905386575 10.141669 10.85336 -8.574 -6.4605 -9.134 0.8946 -0.1508 1.165 8.69265 -0.60835 6.0311005924 6.0311005924 0.277599386
+O      1.13685766      0.04088675      0.69775299
+C      2.45537090      0.02150819      0.13382272
+C      2.63980339      1.18959739     -0.84122364
+O      3.95699259      1.20901901     -1.42822357
+C      4.37875039     -0.02227150     -1.86383398
+C      3.80075638     -1.19491484     -1.55914507
+C      2.63277948     -1.29573239     -0.61426216
+H      1.08622548      0.78092690      1.32748828
+H      3.22276129      0.09786380      0.92668776
+H      2.52724229      2.15916463     -0.33550189
+H      1.88436213      1.11294489     -1.64318306
+H      5.26362072      0.06959888     -2.49500811
+H      4.22645097     -2.10302774     -1.98556922
+H      1.69394677     -1.52199945     -1.14979949
+H      2.78283956     -2.11497452      0.10618841 
+
+15
+-1556.4755174362608 10.531197 11.34282 -8.4949 -6.3923 -9.189 0.771 -0.2764 1.25 8.6319 -0.66979 6.2152445996 6.2152445996 0.41848311
+O      1.00875372      0.08719649     -0.13683929
+C      2.41909248     -0.06489565      0.01744742
+C      2.94079072      1.05939387      0.91833110
+O      4.14376243      0.54799425      1.52397764
+C      4.13760130     -0.83647405      1.47322328
+C      5.15039533     -1.56133009      1.96566241
+C      2.87319359     -1.30997415      0.79901768
+H      0.71631207     -0.49753490     -0.85572946
+H      2.92548075     -0.02352664     -0.96359132
+H      2.18708273      1.28643950      1.69265661
+H      3.19841668      1.97989061      0.37928780
+H      5.12337176     -2.64610688      1.89447100
+H      6.00356348     -1.08552517      2.44603970
+H      3.03688829     -2.19910740      0.17718300
+H      2.09913466     -1.54384978      1.54908242 
+
+15
+-1553.1781327253161 10.202409 10.79982 -9.4609 -7.2692 -9.506 1.388 -0.2233 1.071 8.99134 -0.46183 6.3453679066 6.3453679066 0.356667824
+O      0.92750246      0.11650135      0.09214299
+C      2.35924052      0.03315590      0.23015247
+C      3.06871854      1.26623189     -0.33087748
+O      3.10315733      1.22860728     -1.76359862
+C      3.93100790      0.15972731     -2.22018568
+C      3.63124288     -1.14730517     -1.54550631
+C      2.89788883     -1.21380558     -0.42500560
+H      0.74967553      0.11624402     -0.86754925
+H      2.53082375     -0.00751810      1.31900958
+H      2.51648500      2.17574790     -0.05916757
+H      4.09805536      1.33126662      0.07669103
+H      5.00382306      0.42171595     -2.08188034
+H      3.75629035      0.08346410     -3.30476443
+H      4.03340128     -2.05044867     -2.01327379
+H      2.64338721     -2.17394482      0.02916299 
+
+13
+-1430.497338057121 9.055436 10.0167 -9.9176 -7.8367 -11.213 0.7533 -0.131 0.28 10.21301 0.36183 4.4302801506 12.1520290418 0.294614594
+O      1.15631022     -0.10098161      0.12290199
+C      2.35358907      0.02203464      0.06199045
+O      3.25474011     -1.03708495      0.10844004
+C      4.54184739     -0.31694592     -0.00468334
+C      4.26130632      0.67982153     -1.14933639
+C      3.26196370      1.23871149     -0.07574172
+C      4.35265774      0.85261257      0.98477374
+H      5.35918060     -1.04374890      0.01909665
+H      3.85046478      0.27571127     -2.08380890
+H      5.09545830      1.36713401     -1.34001975
+H      2.76966626      2.21279123     -0.13351448
+H      5.19526544      1.55585361      0.99111593
+H      4.02551006      0.60653102      2.00347579 
+
+11
+-1266.9474175160376 9.436516 10.39145 -10.1764 -7.9877 -10.295 1.1431 -0.5334 -0.017 9.95891 0.69074 4.301942242 10.9408841994 0.331960736
+O      1.17797108      0.10040319      0.40886448
+C      2.30854570     -0.00823818      0.03655593
+O      3.14789950      0.97195263     -0.45878294
+C      4.23655011     -0.00068359     -0.68981410
+C      3.37937348     -1.13261573     -0.07814157
+C      3.06042952     -2.28681181     -0.88608798
+C      2.78426526     -3.24406135     -1.57797233
+H      4.43922342     -0.10088200     -1.76188815
+H      5.13274309      0.28651747     -0.12786221
+H      3.71690105     -1.42831354      0.92758061
+H      2.53912778     -4.09351710     -2.18232174 
+
+13
+-1440.6417323018206 9.138858 10.05342 -9.915 -7.8413 -11.162 1.1371 -0.2305 0.229 10.1272 0.40107 4.381479261 11.8859922816 0.231811762
+O      1.24702221      0.16285578      0.51913033
+C      2.29009809     -0.01248314     -0.06507414
+O      2.51419101     -1.13915046     -0.84108474
+C      3.91053114     -1.23476153     -1.22242630
+C      4.54789698      0.10474549     -0.89631564
+C      3.89992478      1.30629145     -1.51209932
+C      3.50108461      0.86432503     -0.11112691
+H      4.36690497     -2.05124270     -0.64144566
+H      3.94511280     -1.48961802     -2.29193611
+H      5.60030806      0.13150085     -0.61578767
+H      4.48724091      2.22203217     -1.57057232
+H      3.17954884      1.16390033     -2.32013946
+H      3.70457560      1.50213475      0.74606795 
+
+13
+-1444.0813552395132 9.795362 10.21103 -9.849 -7.8711 -10.284 0.1381 -1.5952 -0.684 9.76421 1.21243 4.0561647942 5.4569214264 0.412021216
+O      0.97044751      0.01071842      0.48589875
+C      2.15722932      0.03094152      0.21865023
+O      2.86361081      1.19927635      0.38411146
+C      4.19557600      1.25943739     -0.18903804
+C      5.03524017      0.04015210      0.15826036
+C      4.26127986     -1.20050154     -0.17133532
+C      2.91794724     -1.16879729     -0.20163315
+H      4.62935863      2.18850242      0.20119247
+H      4.09583446      1.34853395     -1.28423391
+H      5.31102788      0.03948539      1.22831585
+H      5.97982491      0.07689778     -0.40642437
+H      4.80068151     -2.13142627     -0.36444831
+H      2.31089171     -2.04623020     -0.42319604 
+
+13
+-1442.8325719663435 11.276346 12.19679 -9.5764 -7.4685 -9.865 0.6809 -1.1508 -0.145 9.89601 0.79646 3.6921418982 10.1541310364 0.437149422
+O      2.12686150     -0.89895361      0.50063874
+C      2.12864922      0.19990122     -0.02502812
+C      3.27490455      1.13413828     -0.03106458
+C      3.45692972      2.04755859     -1.22795518
+C      2.93719391      2.64245409      0.05061065
+C      3.75924939      3.48522593      0.86636846
+C      4.45621220      4.19995536      1.55823457
+H      1.21789366      0.58583505     -0.56155907
+H      4.16469406      0.80261529      0.50396577
+H      2.75048611      1.94512831     -2.05302430
+H      4.48323003      2.27446958     -1.51180904
+H      1.86765657      2.87148258      0.07156384
+H      5.07038908      4.83011932      2.16832825 
+
+17
+-1728.7258960872791 12.199036 13.37784 -8.94 -6.8861 -9.174 0.9824 -0.0663 1.275 8.65986 -0.69713 6.3708470296 6.3708470296 0.540015983
+O      2.28769447     -0.94421681     -0.85007244
+C      1.99228293      0.17692803     -0.00020834
+C      3.20343849      1.06562682      0.05897707
+C      3.45962793      2.07222561     -1.02487315
+C      3.01219978      2.55047495      0.34914367
+C      3.95616906      3.25223707      1.23771648
+C      3.62990202      4.23410163      2.09046212
+H      1.54191875     -1.56526736     -0.79222740
+H      1.73063003     -0.16524840      1.01895739
+H      1.13213686      0.75276458     -0.39443400
+H      4.08320953      0.60233860      0.51317050
+H      2.73659318      2.14034346     -1.83892922
+H      4.49316593      2.26672104     -1.31351538
+H      1.97419513      2.88889561      0.41860983
+H      5.00203814      2.92735936      1.17470726
+H      2.60127462      4.59143672      2.18238836
+H      4.38075315      4.71224908      2.71981725 
+
+15
+-1571.6834852704071 11.577546 12.97836 -9.4341 -7.1912 -9.433 0.8865 -0.1445 2.23 9.04546 -1.81744 4.30727364 9.4692695682 0.370248016
+O      2.82226305     -0.97349517     -0.75888232
+C      2.34022415      0.08721595      0.08048998
+C      3.34800703      1.20390293      0.05732625
+C      3.35518973      2.19506425     -1.07025506
+C      2.85973981      2.62913082      0.30458634
+C      3.63371256      3.52800162      1.11038253
+C      4.29142172      4.28939439      1.79253351
+H      2.23588000     -1.73945044     -0.63817360
+H      2.20114594     -0.26681443      1.11901334
+H      1.36335402      0.46388828     -0.28218003
+H      4.31832450      0.96055450      0.49456251
+H      2.60355025      2.08537297     -1.85299309
+H      4.31519280      2.59276499     -1.39638035
+H      1.77655321      2.74703305      0.39987048
+H      4.86953121      4.96028627      2.39385950 
+
+17
+-1678.7673541993602 10.632671 12.01282 -9.9825 -7.6465 -11.225 0.8938 -0.129 2.998 10.8936 -2.76121 9.0801643044 10.694474423 0.166584857
+O      1.75253048      0.00307336      1.39237044
+C      2.03829345      0.32039663      0.01743132
+C      3.13149100      1.34925524      0.00502726
+C      3.24526974      2.35741566     -1.11467760
+C      2.79621513      2.80663728      0.25480511
+C      3.69814490      3.60976759      1.15487892
+O      3.39489698      3.40694120      2.54006710
+H      1.11772932     -0.73259838      1.40688107
+H      1.14044647      0.72433525     -0.48903526
+H      2.35832107     -0.58545467     -0.53075293
+H      4.07940997      1.00097127      0.42742614
+H      2.49873385      2.33516580     -1.91010322
+H      4.24928971      2.62821408     -1.44478126
+H      1.73097171      3.03086942      0.36320565
+H      3.57730300      4.68981523      0.97661237
+H      4.75539689      3.35427040      0.93828700
+H      3.20573632      2.45580464      2.64915790 
+
+13
+-1420.1322577971655 9.828052 10.54793 -9.9324 -7.8378 -11.201 0.0382 -1.8495 -0.613 10.23301 0.89443 3.6777223264 9.4587803526 0.343238409
+O      0.97723084      0.57851337     -0.71742427
+C      1.96803745      0.31890000     -0.05241915
+C      3.18749385      1.16726281      0.00286879
+C      3.56049626      1.97292322     -1.21219047
+C      2.96465661      2.69833392     -0.03542164
+C      3.86022076      3.52050712      0.81993185
+O      5.03722519      3.26943729      1.02729690
+H      2.01223087     -0.60807374      0.57088315
+H      4.00124234      0.83900552      0.65188115
+H      2.91560262      1.85697240     -2.08315587
+H      4.62640136      2.12451128     -1.38162040
+H      1.92171619      3.00909418     -0.11839040
+H      3.37745564      4.41923264      1.27726036 
+
+15
+-1549.4079295777128 10.287717 11.37896 -9.494 -7.3766 -10.796 0.9349 -0.8996 0.062 9.80667 0.57744 3.7092519662 7.1222021896 0.172799224
+O      0.99079977      0.50162238      1.00613306
+C      1.91737997      0.40689199     -0.08415394
+C      3.08617310      1.30850936      0.19642214
+C      3.82827647      1.95953329     -0.91877757
+C      2.92262787      2.81735526     -0.04427389
+C      3.54858065      3.72744863      0.94180685
+O      4.66012724      3.56598997      1.42654414
+H      0.31653877     -0.18842258      0.88797162
+H      1.44031844      0.70239371     -1.03918684
+H      2.28466841     -0.63052782     -0.19957844
+H      3.66857461      1.06899274      1.08967194
+H      3.49305486      1.78897718     -1.94259496
+H      4.89765148      2.12184522     -0.78130126
+H      1.96390347      3.13898088     -0.45434156
+H      2.91914488      4.60292980      1.24207869 
+
+17
+-1682.1191699049307 10.54653 11.89309 -9.8884 -7.7009 -11.539 0.9713 -0.036 2.723 11.20268 -2.48354 9.3029671464 9.955889821 0.080999961
+O      2.22137409     -0.41764465     -1.41736601
+C      2.34624022      0.01793492     -0.05391760
+C      3.09037777      1.33384924     -0.03263465
+C      2.40214489      2.64032831     -0.51844980
+C      3.12707044      3.40346522      0.62380197
+C      3.30464710      2.03904704      1.33564868
+O      4.45239670      1.76492673      2.12199640
+H      1.72440684     -1.25276056     -1.41987134
+H      2.90055344     -0.72558725      0.55025210
+H      1.34816362      0.15453435      0.40687477
+H      4.06289768      1.21439348     -0.54176217
+H      1.31462413      2.59919598     -0.35722915
+H      2.59458231      2.95857056     -1.54962519
+H      4.10007867      3.79239857      0.28335079
+H      2.59287587      4.20022053      1.15836400
+H      2.44661320      1.84178463      1.99943584
+H      5.23482304      1.97140289      1.57946136 
+
+13
+-1424.6998148302557 9.650747 10.29432 -9.4974 -7.5017 -10.804 0.2924 -1.5852 -0.705 10.36293 1.15495 3.6298017374 8.3020901614 0.114195969
+O      0.77579072      0.49129659      0.46778052
+C      1.95159402      0.20865334      0.32427961
+C      3.01950539      1.18558219     -0.10357101
+C      2.58760223      2.65894004     -0.30093934
+C      3.33258238      3.08430493      1.00042055
+C      3.89901215      1.66998323      1.10677683
+O      4.73356184      1.12873487      1.78633477
+H      2.33161749     -0.81869528      0.54141073
+H      3.64241634      0.71494017     -0.88041906
+H      1.49992338      2.79145690     -0.27570651
+H      2.99917191      3.11140171     -1.21006298
+H      4.09328776      3.87376026      0.92785985
+H      2.66676440      3.31795104      1.84550605 
+
+15
+-1555.2321198769437 10.058769 11.19253 -9.2827 -7.2422 -10.509 0.9058 -0.8801 0.271 9.67976 0.50516 3.747042899 8.118541287 0.113631378
+O      2.20765041     -0.44850924     -1.37628616
+C      2.30482520      0.04115797     -0.03122392
+C      3.12503223      1.31480708     -0.05351510
+C      2.51209482      2.63998059     -0.60471926
+C      2.98678705      3.40860254      0.66594404
+C      3.32762415      2.04860138      1.28925225
+O      3.55670065      1.67159137      2.41636601
+H      1.64778410     -1.24325497     -1.36659660
+H      2.79865995     -0.69205964      0.63136488
+H      1.30157340      0.25345732      0.38575793
+H      4.10804789      1.10499901     -0.51053258
+H      1.41759717      2.58249319     -0.67602288
+H      2.91361414      2.98974637     -1.56200040
+H      3.88968037      4.01852124      0.50888710
+H      2.25342846      4.01230580      1.21842471 
+
+19
+-1890.785053776219 11.521769 12.87412 -10.2432 -7.8218 -11.995 0.9471 -0.0185 3.01 11.58152 -2.72157 9.8391446034 10.4474447166 0.11470346
+O      2.06737380     -0.21775717     -1.47323062
+C      2.33889178      0.05511859     -0.08883894
+C      3.02157314      1.40775415      0.01860514
+C      2.16638490      2.60241612     -0.43448151
+C      2.91077947      3.82030053      0.13941429
+C      3.53361626      3.32825805      1.47664899
+C      3.40043549      1.78084915      1.46653347
+H      1.62810956     -1.08262777     -1.52669464
+H      2.98995082     -0.72986453      0.34217514
+H      1.39903016      0.07534126      0.49925989
+H      3.93680380      1.37588533     -0.60095206
+H      1.16124466      2.51651959      0.01675711
+H      2.03419066      2.64368031     -1.52391928
+H      3.70667353      4.12853203     -0.55681940
+H      2.25332806      4.69105327      0.27533842
+H      4.58609384      3.63698511      1.55629353
+H      3.01480264      3.75911299      2.34523120
+H      4.31502730      1.27325971      1.80622718
+H      2.58837012      1.46662326      2.14476210 
+
+17
+-1760.8951070960527 10.907804 11.9093 -9.552 -7.4053 -10.896 1.0632 -0.8156 0.056 9.97976 0.60412 3.7273043278 8.2019590678 0.158669562
+O      0.73970882      0.51347181      0.51389507
+C      1.92411611      0.26900158      0.37872002
+C      2.99714858      1.24462337     -0.06543479
+C      2.47394360      2.67720552     -0.33179999
+C      3.27166098      3.60321447      0.61370476
+C      3.69957925      2.68504471      1.76777990
+C      4.07731347      1.37942548      1.05319071
+H      2.31715451     -0.75860573      0.60337395
+H      3.45312135      0.78183060     -0.95862085
+H      1.39999051      2.70314203     -0.09343445
+H      2.58104890      2.96424711     -1.38648910
+H      4.16820999      3.99179483      0.10306861
+H      2.68468798      4.47048794      0.94760829
+H      4.52514158      3.09368584      2.36788721
+H      2.84882588      2.51068921      2.44731298
+H      5.07349938      1.47441781      0.59420125
+H      4.11031912      0.50497341      1.72177642 
+
+15
+-1625.3120162813436 11.360826 11.76712 -9.3852 -7.3631 -9.557 0.0155 -1.7194 -0.798 9.06127 1.43692 3.4092926364 4.8305441544 0.456978809
+O      0.99652342     -0.11654641      0.27161646
+C      2.19095001      0.00206413      0.01951549
+C      2.90797179      1.27697366     -0.01774876
+C      4.23502594      1.38169051     -0.25648073
+C      4.70702610      2.80498806     -0.18810705
+C      3.38657891      3.61965982     -0.19687560
+C      2.28410647      2.62738539      0.25223705
+H      2.82263128     -0.89552773     -0.20771841
+H      4.89679170      0.53167748     -0.43894097
+H      5.28517234      2.95888866      0.74230714
+H      5.38710896      3.06976513     -1.01286435
+H      3.17864673      3.95689122     -1.22319197
+H      3.43798423      4.51486573      0.43657954
+H      1.33288647      2.75964264     -0.28190872
+H      2.05111567      2.71902170      1.32675087 
+
+13
+-1488.8051157677703 11.530998 11.19626 -8.8891 -7.0024 -8.891 -0.568 -2.1659 -1.07 8.37411 1.76984 3.4077304128 6.7295509262 0.405176453
+O      2.58293872     -1.14349406      0.04395972
+C      2.11624384     -0.00634232      0.00579180
+C      2.90406125      1.21476969      0.00282878
+C      2.40351252      2.49061518     -0.03900151
+C      3.49741920      3.44466821     -0.02665835
+C      4.67559049      2.76336952      0.02261926
+C      4.40336032      1.29189850      0.04554613
+H      1.00846192      0.15800243     -0.03037297
+H      1.34477224      2.75087845     -0.07577538
+H      3.38037216      4.52730934     -0.05283010
+H      5.67317149      3.19946631      0.04312045
+H      4.86487017      0.76318018     -0.80652065
+H      4.81296568      0.80013858      0.94497280 
+
+13
+-1486.1854727655689 11.186455 11.24015 -8.9519 -6.9787 -8.863 -0.2248 -1.9033 -0.84 9.45015 1.61978 3.4118343494 5.9511296224 0.25341985
+O      0.92394407     -0.07620829     -0.03897114
+C      2.14614538     -0.00129823     -0.00762924
+C      2.90252893      1.25606021     -0.00187491
+C      4.26502284      1.34287296      0.03358972
+C      4.65936592      2.78586137      0.02768013
+C      3.34253942      3.51051871     -0.01581738
+C      2.33262903      2.61022990     -0.03262547
+H      2.77930326     -0.92487826      0.02015806
+H      4.96414475      0.50794311      0.06176752
+H      5.30417771      3.02943247     -0.83667640
+H      5.25746044      3.04951110      0.91928195
+H      3.24913576      4.59487370     -0.03071853
+H      1.26387249      2.81250127     -0.06355430 
+
+13
+-1478.3540941606125 10.759109 10.96207 -8.7902 -6.7271 -8.682 0.4231 -1.2169 -0.107 8.18316 0.76246 3.6807847806 6.9315861132 0.441417933
+O      1.67779028     -0.66730193     -0.78584862
+C      2.02746404      0.07028732      0.11108490
+C      3.12091797      1.13103014      0.01040498
+C      2.68163409      2.47484105      0.54629548
+C      2.95959022      3.41707643     -0.38732595
+C      3.56597118      2.78107402     -1.55981496
+C      3.65774755      1.44467030     -1.35409304
+H      1.56336394      0.00644220      1.12882949
+H      3.93702988      0.74203796      0.65832360
+H      2.23032398      2.62513706      1.52487550
+H      2.76826142      4.48541889     -0.29091841
+H      3.87651439      3.31288182     -2.45866347
+H      4.02992108      0.69246474     -2.04469951 
+
+15
+-1619.3960100783065 10.72207 11.36108 -9.4434 -7.1549 -9.27 1.0234 -0.8866 0.035 10.01081 0.62289 3.7170134898 6.1739944574 0.299030505
+O      1.41910291     -0.20070039     -0.86918781
+C      1.96637585      0.36830255      0.05528017
+C      3.24515706      1.18439679     -0.02893389
+C      3.68921262      1.46700700     -1.48317183
+C      3.35479399      2.92504324     -1.67255494
+C      2.99961943      3.52233126     -0.52726310
+C      3.03936748      2.57665900      0.64756410
+H      1.53405827      0.31506902      1.09044726
+H      3.99234599      0.59735926      0.53358904
+H      3.15108259      0.81132133     -2.18592495
+H      4.76688351      1.28211076     -1.62801507
+H      3.41728912      3.42095735     -2.64233397
+H      2.73354517      4.57507788     -0.42235358
+H      3.86742277      2.82512563      1.33294717
+H      2.11868324      2.61158932      1.25616140 
+
+15
+-1617.9121532912652 10.804711 11.45984 -9.2355 -7.0065 -9.229 1.0276 -0.8694 0.023 8.72975 0.66522 3.6659064606 6.1485525302 0.309358589
+O      0.89294870      0.55816505     -0.63662600
+C      1.95428927      0.28637596     -0.11060004
+C      3.17213184      1.19697675     -0.03650791
+C      3.75721731      1.30299833      1.40727548
+C      3.43203361      2.74400180      1.88204337
+C      3.03334908      3.45932747      0.61628585
+C      2.89544832      2.62797126     -0.42421246
+H      2.11633201     -0.71806370      0.36822378
+H      3.90865464      0.71100637     -0.70723619
+H      4.84415388      1.15097220      1.37805276
+H      3.34289167      0.53515346      2.07741057
+H      4.29394868      3.21564923      2.37974999
+H      2.60500476      2.76480748      2.61311593
+H      2.84133848      4.53301751      0.58272566
+H      2.56723776      2.91140083     -1.42338078 
+
+17
+-1751.1038554378601 11.561225 12.50921 -8.8943 -6.7274 -8.714 0.971 -0.1965 1.468 8.16824 -0.79191 5.9228236186 5.9228236186 0.313215023
+O      2.24016628     -0.38923494      1.41398685
+C      2.50276119     -0.03644844      0.03993398
+C      2.98258827      1.37754952     -0.01436027
+C      4.15033518      1.80254879     -0.52476258
+C      4.31843576      3.29609746     -0.40630449
+C      2.89743084      3.77988079     -0.01417874
+C      2.17553325      2.52989895      0.54661658
+H      1.78845508     -1.24992717      1.41495880
+H      1.57240991     -0.12854593     -0.55570826
+H      3.25923741     -0.70849681     -0.40488424
+H      4.91919553      1.14610016     -0.93830320
+H      5.06474088      3.53417706      0.37407446
+H      4.68380237      3.76526576     -1.33364672
+H      2.37360386      4.12812562     -0.91730693
+H      2.91495399      4.61768693      0.69619565
+H      1.11400794      2.48345101      0.25348598
+H      2.19312227      2.49299125      1.64937314 
+
+15
+-1613.0699327003758 11.521483 11.94546 -8.2663 -6.2185 -8.079 0.7256 -0.7566 0.681 7.59613 -0.1046 4.510734666 7.146739019 0.581234024
+O      2.67644652     -0.65997793     -1.23768929
+C      2.25831851      0.00934543     -0.02801613
+C      2.81989297      1.38966374     -0.01480047
+C      2.14208901      2.56121053      0.11167273
+C      3.08550084      3.67922637      0.10798602
+C      4.34658333      3.19832511     -0.03026342
+C      4.29028827      1.70114395     -0.11873654
+H      2.40360357     -1.59062221     -1.16673242
+H      2.62238664     -0.55501200      0.85387633
+H      1.15615479      0.05998785      0.03783169
+H      1.05942661      2.66148895      0.19924448
+H      2.80215165      4.72825477      0.19202040
+H      5.26477627      3.78034403     -0.08542529
+H      4.71423203      1.31922307     -1.06428605
+H      4.86932899      1.21369835      0.68645797 
+
+15
+-1612.7283348506332 11.436892 11.99713 -8.3244 -6.2858 -8.216 0.9257 -0.5876 0.678 7.67449 -0.13035 4.6301455826 6.9584910752 0.58717175
+O      1.68563972     -0.26581498      1.24693326
+C      2.45309686     -0.04817124      0.04746309
+C      2.96925419      1.35539316      0.04856269
+C      4.25881499      1.75371007     -0.10245223
+C      4.31948381      3.25268796     -0.08633700
+C      2.88568519      3.65993988      0.10162942
+C      2.11718914      2.54743978      0.17789238
+H      1.24099716     -1.12573746      1.15794638
+H      1.81416810     -0.20107535     -0.84448094
+H      3.29982533     -0.75533130     -0.01910015
+H      5.12712922      1.10600423     -0.21554533
+H      4.74643719      3.66304199     -1.01969012
+H      4.96604372      3.62897299      0.72728894
+H      2.54974137      4.69329292      0.16607062
+H      1.03851400      2.50985733      0.32612900 
+
+15
+-1610.7732823617666 11.257952 11.71124 -8.4217 -6.3474 -8.288 0.7551 -0.7544 0.64 7.80434 -0.095 4.6580796284 7.2022723484 0.63655362
+O      2.94822410     -1.06963304     -0.57668072
+C      2.31736068      0.01507674      0.11776477
+C      3.25502462      1.22516401      0.05723000
+C      2.75563933      2.41536774      0.83463224
+C      2.71724085      3.49485309      0.01556547
+C      3.15829286      3.10148732     -1.32624170
+C      3.46775902      1.78177623     -1.32627324
+H      2.32126644     -1.81123777     -0.60534004
+H      2.13383383     -0.25056213      1.17530044
+H      1.35129976      0.28230339     -0.34717246
+H      4.23159617      0.89668786      0.46729516
+H      2.49109000      2.38570787      1.89061334
+H      2.41469014      4.50368545      0.29683408
+H      3.21861351      3.77729247     -2.17942894
+H      3.81635870      1.18192077     -2.16389838 
+
+17
+-1749.8315904588117 11.337902 12.27232 -9.1192 -6.8321 -8.972 0.9432 -0.0352 1.431 8.47942 -0.80386 6.1252059664 6.1252059664 0.304904162
+O      3.03028197     -0.98247242     -0.62266599
+C      2.45392140      0.07659310      0.15669927
+C      3.28850893      1.33070240     -0.04115160
+C      3.30003300      1.87190808     -1.49772596
+C      3.29475294      3.36930542     -1.31557767
+C      3.03082860      3.72218497     -0.04969094
+C      2.81213132      2.52079742      0.83703031
+H      2.47936873     -1.77412842     -0.50678640
+H      2.43349838     -0.19379819      1.22990961
+H      1.41122476      0.27698963     -0.16177617
+H      4.32650393      1.08754669      0.24002596
+H      2.40504543      1.54205487     -2.05826195
+H      4.16598635      1.50615940     -2.06961358
+H      3.45152352      4.06892042     -2.13873714
+H      2.94037680      4.74872569      0.30994113
+H      3.36229268      2.58129539      1.78949158
+H      1.74143127      2.42924556      1.10482956 
+
+17
+-1749.9350577405762 11.449324 12.33369 -9.0825 -6.8417 -8.919 0.9802 -0.0501 1.468 8.41211 -0.83352 6.1144191844 6.1144191844 0.315148526
+O      2.49757777     -0.32272434     -1.58569401
+C      2.41412413      0.03966142     -0.19941652
+C      3.25770624      1.29109597      0.02405701
+C      3.31523489      1.71851433      1.51456631
+C      3.32237519      3.26761170      1.50713790
+C      2.76350004      3.60315764      0.14538454
+C      2.73196416      2.53329341     -0.66154818
+H      1.93387896     -1.10120741     -1.72681923
+H      2.79208754     -0.77864808      0.44330118
+H      1.36703453      0.24992219      0.09303140
+H      4.27152201      1.06482515     -0.36004416
+H      4.17465331      1.28668664      2.04535502
+H      2.40312524      1.36433969      2.02356383
+H      4.34574598      3.67185723      1.61339935
+H      2.73427057      3.69745621      2.33331276
+H      2.46759924      4.61377049     -0.14239707
+H      2.41222018      2.52932778     -1.70412011 
+
+13
+-1429.6319390425765 10.043836 10.72889 -8.4236 -6.3355 -8.123 0.9117 -0.1781 0.611 7.67489 -0.06217 4.4768988866 6.887112335 0.456361222
+O      1.50610770     -0.27754121     -0.92033031
+C      2.67783356     -0.06500070     -0.13093801
+C      2.93144828      1.40486239     -0.07587757
+C      2.21289947      2.50042296     -0.46289157
+C      3.01163557      3.64458975     -0.12601552
+C      4.15527716      3.16462277      0.44187277
+O      4.12798063      1.78914955      0.47995191
+H      1.27152413     -1.21689839     -0.84949178
+H      3.56136318     -0.57101009     -0.56637139
+H      2.54539237     -0.45912835      0.89586199
+H      1.23633410      2.48077515     -0.93411604
+H      2.76560607      4.68955245     -0.28813556
+H      5.04674778      3.62632373      0.85093109 
+
+11
+-1302.822942783872 10.216524 10.02216 -9.2246 -7.3428 -9.027 -0.3128 -2.0124 -1.186 8.5414 1.81858 3.3683524592 3.9169285162 0.359796145
+O      2.78101949     -1.11585431      0.03635425
+C      2.21764121     -0.02980570     -0.00756961
+C      2.87139972      1.26883197     -0.00110517
+C      2.34223257      2.54432881     -0.04665622
+C      3.44140179      3.44419537     -0.01316225
+C      4.56617920      2.65865924      0.05045281
+O      4.24527243      1.33954056      0.05885356
+H      1.10267499      0.05608916     -0.05856009
+H      1.28570005      2.79069351     -0.09785652
+H      3.41472452      4.52898341     -0.03298134
+H      5.62662402      2.88531798      0.09364058 
+
+17
+-1692.352430797863 10.381872 11.63873 -9.3646 -7.1731 -11.306 1.0004 -0.0195 3. 10.65179 -2.711 9.0855824926 11.8257970786 0.091105358
+O      1.94752391     -0.25312580     -1.31489095
+C      2.35172825      0.13599062      0.00525983
+C      3.09996172      1.45731974     -0.11317958
+C      2.25128828      2.65180983     -0.55965489
+C      2.96054067      3.82113073      0.13571446
+C      3.35526396      3.18893693      1.47056504
+O      3.61683697      1.79606748      1.19494927
+H      1.55132520     -1.13774010     -1.25832689
+H      3.02185236     -0.61419413      0.46068812
+H      1.48021856      0.27409319      0.67330108
+H      3.95085557      1.31529559     -0.80790736
+H      1.22179282      2.54401425     -0.18005121
+H      2.20385879      2.74650880     -1.65145091
+H      3.85760238      4.11780994     -0.42960325
+H      2.32370739      4.70786816      0.25823821
+H      4.26293648      3.62680703      1.91327136
+H      2.53437669      3.26837773      2.20791770 
+
+15
+-1559.8940054272705 9.733685 10.72108 -9.467 -7.2857 -10.985 0.84 -1.1541 -0.129 10.20447 0.7736 3.6718577886 8.218907954 0.113073387
+O      0.95886176      0.20443338      0.36242178
+C      2.16856843      0.27714620      0.45535776
+C      3.03327189      1.35536649     -0.20227362
+C      2.34541962      2.73883497     -0.28724598
+C      3.22025090      3.63318260      0.62028444
+C      4.00937663      2.61485966      1.44530491
+O      4.25105400      1.52007940      0.54095020
+H      2.76503243     -0.47362094      1.03517766
+H      3.31517202      0.95689775     -1.19420181
+H      1.30973827      2.65523296      0.07093658
+H      2.31111321      3.11047256     -1.31849466
+H      3.91161833      4.23784797      0.01644860
+H      2.62573833      4.31244019      1.24608832
+H      4.98769469      2.97032860      1.79398752
+H      3.42265948      2.27089821      2.32006831 
+
+13
+-1423.496367169088 10.322836 10.6083 -8.894 -6.8547 -9.506 -0.0811 -1.8639 -0.905 9.08281 1.47959 3.3434436718 4.6581788172 0.38613093
+O      0.93044664      0.05573955      0.17339313
+C      2.13893422      0.09546097      0.00299792
+C      2.94724834      1.32133100     -0.07171922
+C      4.28803806      1.37174324     -0.24527434
+C      4.72516776      2.81060543     -0.19348276
+C      3.36280610      3.54039543     -0.23573239
+O      2.33807689      2.53657849      0.06070629
+H      2.75324447     -0.83288289     -0.11340600
+H      4.94055875      0.50857652     -0.34704877
+H      5.28791544      3.01630931      0.73418905
+H      5.37465591      3.09887161     -1.03312465
+H      3.14584577      3.93827602     -1.23929664
+H      3.25791165      4.34312530      0.50367839 
+
+13
+-1420.316628364527 9.507434 10.16375 -8.8085 -6.6301 -9.37 0.7305 -1.2849 -0.147 10.17257 0.78716 3.667133922 5.9447939378 0.235775063
+O      1.75794400     -0.64018293     -0.64115910
+C      1.94991121      0.35555447      0.02669939
+C      3.22932228      1.18969578     -0.05095229
+C      3.68934088      1.46536238     -1.50001531
+C      3.25724455      2.90435188     -1.66415193
+C      2.89759136      3.38651494     -0.46838218
+O      2.97035236      2.48243252      0.57425378
+H      1.20488516      0.73020711      0.77329005
+H      3.99066179      0.67664358      0.55901852
+H      3.20095279      0.76023023     -2.18939779
+H      4.77858659      1.34723330     -1.62192186
+H      3.29044239      3.46952400     -2.59080804
+H      2.57427466      4.38275274     -0.17431325 
+
+15
+-1552.568907400848 10.409971 11.35629 -8.2584 -6.136 -8.767 1.0052 -0.2074 1.283 8.2899 -0.67991 5.7473214356 5.7473214356 0.257083874
+O      2.41227209     -0.38279075      1.41594753
+C      2.49077358     -0.00149490      0.03106108
+C      3.04619802      1.37858840     -0.07619727
+C      4.23777279      1.78902980     -0.54108083
+C      4.33822832      3.28730784     -0.38746377
+C      2.88787147      3.64561013      0.01130193
+O      2.22020462      2.39229873      0.35852258
+H      1.79245482     -1.12894762      1.47854137
+H      1.48888482     -0.01761451     -0.43458710
+H      3.14977354     -0.68398176     -0.53411548
+H      5.03096220      1.13629050     -0.89455775
+H      5.06588932      3.56091362      0.39656832
+H      4.64536305      3.80508727     -1.30877423
+H      2.33166233      4.08907799     -0.83036848
+H      2.81384904      4.31058527      0.88128210 
+
+15
+-1553.1198093912383 10.062752 10.91177 -8.3552 -6.1921 -8.972 0.959 -0.0948 1.246 8.57395 -0.69762 5.8896573636 5.8896573636 0.237756085
+O      2.83229592     -0.92734170     -0.61970184
+C      2.31605532      0.22560809      0.05582477
+C      3.39410177      1.30471504     -0.00101208
+C      3.65010816      1.85307915     -1.42602331
+C      2.99848626      3.21478142     -1.35400522
+C      2.64130227      3.45165270     -0.08611334
+O      2.90928412      2.43523665      0.80270621
+H      2.15141047     -1.61932653     -0.59632423
+H      2.08560854      0.00853728      1.11349424
+H      1.39932160      0.60785378     -0.43148991
+H      4.30841027      0.93157885      0.48227495
+H      3.20770971      1.18707234     -2.18305234
+H      4.72670334      1.92528768     -1.65311945
+H      2.87639267      3.90342053     -2.18504030
+H      2.17924960      4.32851473      0.36383187 
+
+13
+-1428.5411377387113 9.99735 10.62936 -8.6843 -6.642 -8.37 0.9689 -0.2173 0.528 7.88016 -0.000260000000026 4.6227684156 6.7277531292 0.455644611
+O      2.54117427     -0.63322108     -1.28288962
+C      2.25769663     -0.01180263     -0.01492914
+C      2.84709097      1.36016367     -0.00116330
+C      2.17189520      2.54019674      0.15206968
+O      3.03566060      3.60264535      0.14302967
+C      4.29323011      3.07709021     -0.03064762
+C      4.23555487      1.71801990     -0.12220479
+H      2.25015999     -1.55954928     -1.22456055
+H      2.69231880     -0.60989396      0.80801165
+H      1.16837984      0.05623140      0.16025180
+H      1.12220629      2.78396834      0.27778458
+H      5.10074647      3.79978556     -0.06844493
+H      5.07174595      1.04261577     -0.27442744 
+
+11
+-1302.1573601972837 9.748536 9.89406 -9.3756 -7.3811 -9.062 0.1264 -1.6489 -1.014 9.68444 1.77033 3.4324532212 5.7233301446 0.301670323
+O      2.59659481     -1.16706491      0.06788070
+C      2.12483238     -0.03891207      0.00757363
+C      2.91719088      1.19030064      0.00223607
+C      2.41421300      2.47065170     -0.06448762
+O      3.42034995      3.38137490     -0.04897136
+C      4.60137004      2.66425558      0.02993215
+C      4.34998524      1.32941856      0.06362996
+H      1.01818172      0.11953100     -0.04922729
+H      1.40714658      2.87062462     -0.12474263
+H      5.50427257      3.26394723      0.05122580
+H      5.07042283      0.52065276      0.12441059 
+
+17
+-1690.4780686568577 10.351642 11.51965 -9.5541 -7.3912 -11.575 0.9396 -0.0594 2.867 10.81656 -2.58115 9.3683697614 11.7986565432 0.085682814
+O      1.86424888     -0.26604922     -1.31991726
+C      2.22881036      0.12289545      0.01184674
+C      3.16057251      1.32521168     -0.07477274
+C      2.48789019      2.56424108     -0.72848713
+C      2.71579730      3.68126629      0.29893866
+O      2.77046473      3.01682459      1.56843217
+C      3.55535237      1.84343317      1.33095723
+H      1.24687053     -1.01384366     -1.25636924
+H      2.74244831     -0.70734878      0.53328915
+H      1.33446124      0.39905387      0.60414439
+H      4.05628751      1.02364424     -0.63916446
+H      1.41363077      2.37611780     -0.86791821
+H      2.91233152      2.80293379     -1.71251709
+H      3.67157946      4.21006731      0.10621603
+H      1.90721932      4.42300866      0.34650903
+H      4.63373464      2.09415965      1.36129265
+H      3.34150038      1.13181409      2.14208006 
+
+15
+-1559.5933827039005 9.824236 10.71992 -9.6804 -7.5225 -10.986 0.9413 -1.0066 -0.036 10.07683 0.6761 3.7081484908 11.584817889 0.101773052
+O      0.67551185      0.46682532      0.36271099
+C      1.86675510      0.22851325      0.33262943
+C      2.95995218      1.20236861     -0.06969297
+C      2.45144350      2.62987078     -0.36154326
+C      3.13023516      3.48884787      0.72512036
+O      3.50466562      2.57788456      1.77163946
+C      3.96091838      1.40922050      1.10062975
+H      2.25059877     -0.78473322      0.62448342
+H      3.48256422      0.73961082     -0.92438288
+H      1.35733225      2.64358110     -0.26326002
+H      2.71434748      2.96568718     -1.37247634
+H      4.03337814      3.99062433      0.32589245
+H      2.47207191      4.24544518      1.17139166
+H      4.98334546      1.55659371      0.70127793
+H      3.98205997      0.58343001      1.82688001 
+
+13
+-1421.408275088992 10.219844 10.49372 -9.5813 -7.3551 -9.703 -0.282 -2.0783 -0.994 9.67992 1.60622 3.3989026096 4.7970059414 0.437093601
+O      0.97490456     -0.07861903      0.23697909
+C      2.17973765     -0.00778694      0.02544419
+C      2.93536133      1.24524214      0.01291352
+C      4.25829020      1.35727003     -0.21618477
+C      4.66428872      2.79095582     -0.14738194
+O      3.46376231      3.52165340      0.14321402
+C      2.35009857      2.60980631      0.25481906
+H      2.78830868     -0.92531840     -0.17636766
+H      4.94638397      0.53681572     -0.42279881
+H      5.41963085      2.97071655      0.64317704
+H      5.10266402      3.14405306     -1.10186724
+H      1.57659831      2.86676231     -0.49000068
+H      1.89366083      2.69324904      1.25669418 
+
+13
+-1423.4783890947472 9.63598 10.41656 -9.5856 -7.5497 -10.776 0.3713 -1.5605 -0.539 10.49333 1.1983 3.6449776238 8.0304120382 0.156334193
+O      0.94786624      0.35054080      1.00663106
+C      1.86363944      0.17044377      0.22240292
+C      2.98579102      1.15883381      0.01610026
+C      2.54515847      2.63848218     -0.26558834
+C      3.56905538      3.07216338      0.78904739
+O      4.13840963      4.11130588      1.02281430
+C      3.71352913      1.64183707      1.32012517
+H      1.90717014     -0.76346424     -0.39209214
+H      3.69677421      0.79365280     -0.73697081
+H      1.51959283      2.81165365      0.09780835
+H      2.65776345      3.03968322     -1.28054234
+H      4.72657085      1.27490147      1.52720595
+H      3.06911922      1.48999621      2.20074824 
+
+15
+-1548.7793828830136 10.401203 11.22168 -8.9972 -6.7106 -8.874 0.8866 -0.3753 1.284 8.38991 -0.63444 5.9200959266 5.9200959266 0.316693191
+O      2.18827144     -0.41734906      1.41638771
+C      2.50111788     -0.05540231      0.05813871
+C      3.02398560      1.34238042      0.04193317
+C      4.15339605      1.79419363     -0.51697116
+C      4.25286483      3.27941406     -0.35495895
+O      3.08641910      3.66070189      0.39742528
+C      2.27203118      2.49958737      0.64366579
+H      1.72988888     -1.27429057      1.39451236
+H      1.58837512     -0.10795821     -0.56874555
+H      3.25072066     -0.73979929     -0.37795298
+H      4.90610922      1.19345156     -1.02806031
+H      5.16189714      3.58577546      0.19781121
+H      4.26305578      3.81131603     -1.32730240
+H      1.27495838      2.63151765      0.17664351
+H      2.11888873      2.37499137      1.73008361 
+
+15
+-1555.6958035130467 10.091464 11.22127 -9.2719 -7.2083 -10.551 1.0211 -0.821 0.3 9.68504 0.46743 3.7434101092 8.1763931546 0.108407032
+O      2.09197841     -0.35061479     -1.36248729
+C      2.27378270      0.08039828     -0.00824027
+C      3.17251241      1.29945434     -0.01888279
+C      2.57036118      2.59795361     -0.64296290
+C      2.88918044      3.32219510      0.67125507
+O      2.85316773      4.47846008      1.02451139
+C      3.34391135      2.02046685      1.35459898
+H      1.50414122     -1.12437123     -1.35916641
+H      2.73578337     -0.71724305      0.60458399
+H      1.30270483      0.34427907      0.45726655
+H      4.13818649      1.03819742     -0.47430535
+H      1.48918334      2.53632578     -0.84407127
+H      3.06126573      3.01047992     -1.53498322
+H      4.35031862      2.04993945      1.79444167
+H      2.63415218      1.69250917      2.13151185 
+
+17
+-1679.2603641000944 10.522752 11.78763 -9.8103 -7.5923 -11.562 0.8857 -0.1151 2.779 11.21801 -2.54641 9.4087891974 13.6487012436 0.203045279
+O      2.08754035     -0.43903823     -1.33643957
+C      2.27953874      0.02265022      0.00860670
+C      3.16216312      1.25146668     -0.02917542
+C      2.55875341      2.56367815     -0.61054332
+C      3.08588792      3.34699163      0.62588035
+O      4.21251679      4.19164141      0.39535610
+C      3.39062923      1.98711985      1.32355501
+H      1.50591632     -1.21703712     -1.30837549
+H      2.75675598     -0.75927806      0.63118656
+H      1.30977159      0.28341845      0.47837236
+H      4.11041734      0.98412511     -0.52205882
+H      1.45971807      2.53310137     -0.65970999
+H      2.93684692      2.90763820     -1.58320407
+H      2.35712564      3.99133008      1.13655405
+H      4.87235386      3.68473114     -0.11166560
+H      4.38482045      1.90659022      1.78519484
+H      2.63298431      1.72772086      2.07976630 
+
+13
+-1429.8931358810594 10.289293 10.46146 -8.9008 -6.9408 -9.528 0.2973 -1.4479 -0.992 9.09214 1.6167 3.4254356136 4.606513851 0.41128538
+O      1.03557384     -0.16149161      0.43642442
+C      2.22404425     -0.01637602      0.14730520
+C      2.87653618      1.26261378     -0.00996577
+C      4.18366645      1.44390168     -0.32279073
+O      4.59172845      2.72329842     -0.41965622
+C      3.40738091      3.57501854     -0.15568631
+C      2.23237169      2.62316460      0.15248716
+H      2.88789864     -0.90397950     -0.01560453
+H      4.95768583      0.69888582     -0.50645959
+H      3.25799335      4.18167090     -1.05840789
+H      3.67957377      4.23125732      0.68075361
+H      1.39081786      2.75371613     -0.54281697
+H      1.83625880      2.75654993      1.16972761 
+
+13
+-1418.3628550822211 9.624281 10.21406 -8.6861 -6.5382 -9.26 0.8055 -1.1614 -0.154 8.85266 0.82384 3.6263549266 12.0901600278 0.27679551
+O      1.07200258      0.34240721     -0.87537064
+C      2.01775980      0.24234762     -0.12271990
+C      3.19954606      1.21304680     -0.06578693
+C      3.83119065      1.35034194      1.34088205
+O      3.50167749      2.68905963      1.81937943
+C      2.99878347      3.36858727      0.73668992
+C      2.83086706      2.64531273     -0.37793301
+H      2.09963153     -0.62501427      0.58909205
+H      3.93763995      0.79308165     -0.77591349
+H      4.92769880      1.27115531      1.31396415
+H      3.43668129      0.62488978      2.06878506
+H      2.78290818      4.41796130      0.92795142
+H      2.40778313      2.98995302     -1.31502011 
+
+15
+-1552.670846064013 10.421465 11.21285 -8.243 -6.1427 -8.732 0.9283 -0.1886 1.278 8.28515 -0.67596 5.7118242438 5.7118242438 0.248533353
+O      2.50768394     -0.32223241      1.56705915
+C      2.56451573     -0.04560082      0.14780193
+C      2.91209995      1.38171975     -0.06184261
+C      3.97902125      1.86981219     -0.71530964
+O      4.03793121      3.23328576     -0.82736458
+C      2.95618549      3.74892526      0.02245002
+C      2.04036879      2.55296405      0.34995143
+H      2.11370917     -1.20501399      1.67594886
+H      1.57837289     -0.26358948     -0.30921421
+H      3.31484663     -0.68838747     -0.34819732
+H      4.80041288      1.33976604     -1.19602708
+H      2.46672414      4.55988468     -0.53119552
+H      3.42900567      4.16065109      0.92776095
+H      1.09892856      2.56862397     -0.22851485
+H      1.77301370      2.52149136      1.41556349 
+
+17
+-1677.7290887030767 10.480355 11.73522 -10.0087 -7.6596 -11.111 0.9178 -0.0829 2.713 10.79372 -2.37564 8.6948778094 10.7154528542 0.169808519
+O      1.08681687      0.44546631     -1.38609182
+C      1.72179235      0.10584639     -0.14547711
+C      2.91254223      1.01730484      0.09370395
+C      3.62140600      0.75599144      1.40642552
+O      2.80897904      1.02229910      2.55950559
+C      3.75739571      1.44616968     -1.08213853
+C      2.85996275      2.45145555     -0.39231839
+H      0.28295199     -0.09209432     -1.46222775
+H      2.07924218     -0.94311981     -0.16596301
+H      1.01730264      0.20711474      0.69941647
+H      4.55704460      1.34599346      1.43776097
+H      3.89907328     -0.30728223      1.49180903
+H      2.50228862      1.94393209      2.48131034
+H      3.44567897      1.10185754     -2.06796134
+H      4.83545354      1.52781794     -0.93337261
+H      3.33192064      3.22038499      0.22341579
+H      1.96490860      2.76464228     -0.92906710 
+
+15
+-1551.1733357844664 10.184035 10.94875 -8.3413 -6.2095 -8.912 0.9367 -0.1138 1.283 8.50178 -0.72961 5.887909161 12.0181365604 0.258812743
+O      2.25146992     -0.32149141     -1.48786053
+C      2.31204939      0.12759577     -0.12946537
+C      3.38222982      1.22093231     -0.04113745
+C      3.56880910      1.75668972      1.39991917
+O      3.04242946      3.12233475      1.43109295
+C      2.80373409      3.46315541      0.12131226
+C      2.99738480      2.48815718     -0.77592928
+H      1.53860210     -0.97781055     -1.55771635
+H      2.58353218     -0.70549892      0.54849605
+H      1.34056244      0.54222294      0.19999313
+H      4.32255389      0.79130190     -0.42489344
+H      4.62972771      1.80941663      1.68687472
+H      3.02188183      1.17593800      2.15750809
+H      2.47260249      4.49084252     -0.01832588
+H      2.83994077      2.55857375     -1.84744806 
+
+11
+-1238.4684169444442 10.02731 10.89167 -10.0419 -7.8831 -10.333 0.2075 -1.7607 -0.538 10.32814 1.15033 3.61915134 10.49603483 0.466234858
+O      1.04324881     -0.23046527      0.58793225
+C      1.89371519      0.33706961     -0.07025788
+C      3.01775057      1.11706000      0.53190496
+O      4.19397774      1.25671679     -0.28534688
+C      3.37757749      2.42788359     -0.10067488
+C      3.89287542      3.50245381      0.70030004
+C      4.30904849      4.43708668      1.35248715
+H      1.89909068      0.32069026     -1.19071287
+H      3.18365134      0.99734532      1.60705798
+H      2.82092375      2.72947345     -0.99647377
+H      4.68493052      5.25440574      1.93400389 
+
+15
+-1530.694516218219 10.894885 11.99137 -9.5955 -7.403 -9.665 1.2939 -0.3388 1.016 9.17426 -0.46136 6.5727210348 6.5727210348 0.539764726
+O      1.85997671     -0.61398631      1.06628245
+C      2.14634767      0.12772126     -0.12535625
+C      3.22982196      1.12502668      0.20760311
+O      3.41253240      2.18350131     -0.74328241
+C      2.90398394      2.51916097      0.58402437
+C      3.79460077      3.31953290      1.44349399
+C      3.36241345      4.29536954      2.25253150
+H      1.28395728     -1.35843919      0.82564509
+H      1.25857222      0.66916053     -0.50095847
+H      2.50973309     -0.53493400     -0.93302668
+H      4.15759777      0.68989090      0.60152787
+H      1.84272905      2.79816140      0.59440996
+H      4.85885328      3.07010310      1.39108039
+H      2.30465423      4.56308833      2.30737623
+H      4.04901618      4.85337258      2.88917885 
+
+13
+-1370.513456511065 10.326563 11.71878 -10.0381 -7.782 -9.973 0.9623 -0.2425 1.867 9.59748 -1.47743 4.3643939902 10.4819748176 0.462070992
+O      2.92880531     -1.10594994     -0.40843894
+C      2.28318738      0.06980085      0.08911503
+C      3.33625721      1.12651916      0.28333007
+O      3.64999706      1.97557112     -0.83329793
+C      2.96808010      2.56277868      0.30541836
+C      3.68885080      3.51525128      1.10692540
+C      4.26640156      4.33416924      1.79187963
+H      2.25342789     -1.79452891     -0.52622090
+H      1.79716916     -0.12377106      1.06520060
+H      1.52083585      0.44739249     -0.61639643
+H      4.20925156      0.81689997      0.87003798
+H      1.92103568      2.82337634      0.10645564
+H      4.78636044      5.05606078      2.38799149 
+
+13
+-1417.3417949660852 9.823095 10.34057 -9.2715 -7.0574 -9.495 0.643 -1.2917 -0.21 9.0918 0.84937 3.6346743872 5.532813257 0.171936842
+O      1.68983978     -0.26595179     -1.17672477
+C      2.03919392      0.28715043     -0.15439235
+C      3.20635227      1.27843013     -0.07493328
+O      3.73116166      1.31471930      1.25868388
+C      3.60718161      2.64855139      1.80012595
+C      2.93343524      3.44371402      0.72460092
+C      2.71737288      2.67749860     -0.34923537
+H      1.51867916      0.13446187      0.82584121
+H      3.98314278      0.95075303     -0.79225301
+H      4.61218139      3.03967527      2.04796286
+H      3.02194393      2.61121983      2.73692844
+H      2.68826391      4.50051734      0.82312093
+H      2.25533149      2.96728058     -1.29097542 
+
+17
+-1683.2478236607758 10.471515 11.66499 -9.632 -7.4541 -11.262 0.8448 -0.2207 2.742 10.91951 -2.43137 9.0023258936 12.3165336666 0.076451748
+O      2.16290558     -0.31276118     -1.37253762
+C      2.31183273      0.10277961     -0.00182153
+C      3.12128372      1.38969720     -0.00948165
+O      4.37769101      1.16444755     -0.65495833
+C      2.41232608      2.69636400     -0.50070703
+C      3.02271496      3.44759142      0.71432588
+C      3.37055232      2.07627875      1.35711951
+H      1.87529569     -1.23961042     -1.38249939
+H      2.86040328     -0.65779273      0.58284285
+H      1.32590095      0.27495582      0.46693313
+H      4.15930862      0.70320348     -1.48846693
+H      1.31676578      2.61886901     -0.44680689
+H      2.70015588      3.03772273     -1.50327432
+H      3.92294958      4.01434766      0.44363362
+H      2.34878242      4.10329728      1.28130065
+H      4.38486917      1.93944989      1.75399340
+H      2.63794222      1.76330993      2.11590464 
+
+15
+-1549.5123998471317 10.279408 11.07723 -9.1023 -6.86 -9.038 1.1106 -0.1332 1.298 8.60227 -0.69231 6.0883449286 6.0883449286 0.306664663
+O      2.36786701     -0.30522759     -1.47977546
+C      2.32318802      0.16149350     -0.12520493
+C      3.30855034      1.32985424     -0.01271895
+O      3.40589338      1.71949664      1.37352376
+C      3.14717113      3.13131944      1.50111976
+C      2.78425305      3.59205246      0.12142078
+C      2.88354636      2.57454070     -0.73885365
+H      1.78713443     -1.08008121     -1.55027809
+H      2.63347419     -0.62325487      0.58710329
+H      1.31292537      0.51243053      0.15380184
+H      4.29594703      0.97262876     -0.37073258
+H      4.05059237      3.64143130      1.89000587
+H      2.33523155      3.28900804      2.23554205
+H      2.49413946      4.61622643     -0.11153070
+H      2.69324632      2.59452163     -1.81038301 
+
+17
+-1677.0722477382108 10.594876 12.05825 -9.5872 -7.3458 -11.003 0.8119 -0.2076 2.965 10.68633 -2.66743 8.8721653908 11.4886915432 0.159239415
+O      2.70954793      3.94222753     -0.78668731
+C      2.92132659      2.93607863     -1.79010417
+C      3.32564380      1.64216576     -1.09416074
+C      4.63091612      1.74540357     -0.33339291
+C      5.46682834      0.50838681     -0.05190823
+C      5.95063631      1.53173652     -1.03614407
+O      7.09017474      2.27559757     -0.65441527
+H      2.44090231      4.76140944     -1.23402214
+H      3.71876173      3.24754527     -2.49250220
+H      1.99848701      2.76866161     -2.37596859
+H      3.40002029      0.85058426     -1.85872573
+H      2.51511282      1.34190469     -0.40866502
+H      4.65154588      2.50387004      0.45227842
+H      5.12324444     -0.45364116     -0.43617964
+H      5.99576217      0.46784385      0.90044668
+H      5.91741630      1.25935969     -2.09912810
+H      6.96012322      3.18972591     -0.96414097 
+
+19
+-1872.320185872787 11.676204 13.15175 -10.2524 -7.8152 -11.713 0.9312 -0.0588 3.043 11.48066 -2.77658 9.884969829 10.4219903908 0.10610291
+O      2.56909986      1.77483744     -2.11325388
+C      2.27236819      2.20013337     -0.77210472
+C      2.94739480      1.23931253      0.19812938
+C      4.46852660      1.26615674      0.13049042
+C      5.23490040      2.52400466      0.63697707
+C      6.31916589      1.57556226      1.21662936
+C      5.28406653      0.42068511      1.14903310
+H      2.16009905      2.40738229     -2.72638858
+H      1.18006863      2.20009662     -0.59741220
+H      2.64230590      3.22949560     -0.60004417
+H      2.58092848      0.21881649     -0.00772219
+H      2.61893510      1.49719880      1.22062298
+H      4.79192059      1.02729518     -0.89480676
+H      4.67624365      3.03097890      1.44062377
+H      5.54768295      3.27348960     -0.10338061
+H      7.14145702      1.42181825      0.50265870
+H      6.74776532      1.82461244      2.19721302
+H      5.63342350     -0.57220758      0.83216024
+H      4.73948755      0.31568131      2.10125505 
+
+17
+-1741.8970702208592 11.144155 12.40972 -9.6095 -7.3957 -10.925 1.2412 -0.7857 -0.01 10.06342 0.64933 3.6716098166 10.445324556 0.137945433
+O      2.72996850      1.73433140     -1.63968032
+C      2.27031563      1.56183099     -0.52548111
+C      3.00612392      0.93377093      0.63294875
+C      4.46270014      0.59257367      0.37591525
+C      5.51307370      1.73580425      0.28473794
+C      6.51252243      0.81777837      1.03809352
+C      5.30267955     -0.02206158      1.53043227
+H      1.21623682      1.87020158     -0.29223010
+H      2.42557538      0.03378828      0.91702377
+H      2.89744632      1.61530844      1.49867809
+H      4.53747715     -0.03919529     -0.52318101
+H      5.21554818      2.59647677      0.90499290
+H      5.78221605      2.09787937     -0.71568995
+H      7.14085384      0.24700725      0.33924616
+H      7.15913470      1.27663609      1.79802024
+H      5.40582992     -1.11579683      1.56612945
+H      4.94652777      0.33084630      2.51144416 
+
+17
+-1674.4685267278542 10.453038 11.80483 -9.2675 -7.0675 -11.255 0.8827 -0.1454 2.95 10.6419 -2.68544 9.2323199236 10.3687755996 0.11940245
+O      2.67877981      3.33180778     -0.47486953
+C      2.32781148      1.96670020     -0.18999414
+C      3.31825839      1.40827843      0.82029002
+C      4.74396360      1.32012350      0.30195526
+C      5.65609810      2.56579140      0.33123558
+C      6.61931702      1.67904957      1.13727345
+O      5.62141780      0.61922726      1.24299967
+H      2.02958506      3.68107160     -1.10722173
+H      2.35345740      1.35820481     -1.11495136
+H      1.30550014      1.90518703      0.22550250
+H      2.99599042      0.38928695      1.09222733
+H      3.29518518      2.01277404      1.74155225
+H      4.75328512      0.80383913     -0.67910640
+H      5.22441003      3.39930121      0.89812453
+H      6.01014538      2.93207705     -0.63943963
+H      7.50960891      1.33712127      0.58042201
+H      6.93016617      2.04275878      2.12936019 
+
+15
+-1543.582709719376 9.896246 11.08305 -9.4901 -7.2786 -11.09 1.0721 -0.9974 -0.161 10.23598 0.77858 3.6770032076 8.1089571692 0.126301549
+O      2.92536839      3.09820608     -1.18913396
+C      2.33754322      2.28015540     -0.50406050
+C      2.98752746      1.12297453      0.20932908
+C      4.49071946      1.03328484      0.03514032
+C      5.40186821      2.00911877      0.80662745
+C      6.09472786      0.73667302      1.32347009
+O      5.05000197     -0.11230052      0.75404978
+H      1.22775764      2.34980376     -0.35953277
+H      2.50609672      0.19514324     -0.15235273
+H      2.71743681      1.18340493      1.27968514
+H      4.74259275      0.97737750     -1.03892045
+H      4.87375035      2.57305906      1.58700901
+H      5.99897800      2.69804259      0.19902885
+H      7.07398699      0.52749556      0.85988056
+H      6.17102416      0.60852125      2.41405013 
+
+17
+-1671.6796050962148 10.399825 11.70937 -9.2855 -7.0187 -11.338 0.8254 -0.1993 2.821 10.71517 -2.55119 9.257352697 10.5705380174 0.150260958
+O      2.57167469      3.44321542     -0.41909076
+C      2.18585362      2.06533201     -0.54569506
+C      3.03949986      1.23590429      0.40328665
+C      4.53011598      1.27210506      0.09237047
+C      5.36424998      2.51163337      0.48284428
+O      6.37106285      1.67748992      1.13602079
+C      5.49254431      0.52181985      1.03729236
+H      2.03212102      3.96489081     -1.03531621
+H      2.33436562      1.71401208     -1.58528838
+H      1.11741917      1.93379130     -0.29328200
+H      2.68117116      0.19350302      0.35132970
+H      2.86659599      1.58149230      1.43670406
+H      4.70641196      0.99087254     -0.95794719
+H      4.86063628      3.17871266      1.20271353
+H      5.79408476      3.11047832     -0.33371703
+H      6.01522620     -0.36178268      0.63781214
+H      5.04451654      0.27015973      2.01748265 
+
+15
+-1540.9679046098524 9.856813 10.95719 -9.6174 -7.3404 -11.116 1.0086 -1.0531 -0.201 10.26864 0.81943 3.6709402922 12.0395117468 0.161883892
+O      2.45984328     -1.36703652      1.14419367
+C      2.13564956     -0.20091941      1.27755205
+C      2.98264911      0.98010709      0.87009141
+C      4.33045209      0.60925605      0.27408236
+C      5.31175690      1.77700725      0.03123022
+O      6.21315951      1.30433476      1.07166840
+C      5.39917386      0.10982232      1.27113710
+H      1.14508260      0.06799388      1.72948764
+H      3.09555108      1.62706158      1.76102337
+H      2.37561207      1.58031822      0.16530013
+H      4.18866618     -0.05467622     -0.58842296
+H      4.93011062      2.78948667      0.24978217
+H      5.79925868      1.77924094     -0.95874326
+H      5.93275031     -0.80381417      0.96352281
+H      5.07538414      0.00643756      2.31983488 
+
+17
+-1678.8529045597872 10.565207 12.02042 -9.716 -7.5119 -11.055 0.9355 -0.05 2.796 10.73411 -2.45464 8.6541980028 11.4517561138 0.175910512
+O      1.35075311      2.90124490     -1.46660558
+C      2.78082839      2.98937003     -1.35771824
+C      3.26162397      1.75604753     -0.60257794
+C      4.76117597      1.74459709     -0.38121654
+O      5.25735597      2.83253811      0.38986521
+C      5.49626593      0.42977120     -0.26389086
+C      5.68715081      1.31840640     -1.48372651
+H      1.03551357      3.70868233     -1.90535743
+H      3.08453012      3.90013176     -0.81300765
+H      3.25199466      3.02008203     -2.35819244
+H      2.96271747      0.85371907     -1.15925487
+H      2.74105509      1.71050820      0.37049830
+H      4.95087216      2.69972151      1.30574657
+H      4.93086304     -0.49672251     -0.37507393
+H      6.32090395      0.39234691      0.44843466
+H      6.63077062      1.85809753     -1.56122696
+H      5.25069517      1.00088792     -2.43155579 
+
+19
+-1869.9710480397798 11.676793 13.2502 -10.1492 -7.7381 -11.409 0.9664 0.0012 3.022 11.077 -2.73659 9.3483088266 11.7565880934 0.323558547
+O      2.52458333      0.44456188      2.55174642
+C      3.56622531      1.02212851      1.74779658
+C      2.90429276      1.79457937      0.61547864
+C      3.89116070      2.40096972     -0.39290959
+C      4.80927808      3.46395178      0.17990805
+C      6.17390825      3.10573507      0.72680526
+C      6.05420874      3.87218309     -0.57141298
+H      2.94196553      0.00574760      3.31147139
+H      4.21885975      0.23113288      1.32776025
+H      4.20016331      1.69445432      2.35264309
+H      2.27710527      2.58969538      1.05230226
+H      2.21874839      1.10942046      0.09112714
+H      3.31185400      2.83879673     -1.22347843
+H      4.50595855      1.59968485     -0.84105537
+H      4.29087269      4.27382984      0.70328808
+H      6.48329671      2.06045206      0.66784238
+H      6.53913593      3.63622424      1.60705522
+H      6.33755179      4.92507776     -0.57698897
+H      6.28048090      3.33839446     -1.49640942 
+
+17
+-1740.6828573368498 11.244843 12.77319 -9.6088 -7.3955 -10.922 1.2836 -0.7704 -0.022 10.08642 0.64957 3.6727008934 11.7672384908 0.272645359
+O      2.37466282     -0.66430148     -0.87189639
+C      2.07796606      0.25686788     -0.13256251
+C      2.97366109      1.41840350      0.21266908
+C      4.36063743      1.38502176     -0.42704892
+C      5.20569935      2.58513668     -0.05759467
+C      6.32056654      3.03686821     -0.96919658
+C      5.07091341      3.87871422     -0.83025740
+H      1.06742547      0.29041774      0.35476170
+H      3.03459329      1.45682421      1.31723133
+H      2.42491229      2.34022708     -0.05961595
+H      4.25115669      1.33086927     -1.52224999
+H      4.87233417      0.45448304     -0.13273222
+H      5.40063500      2.69594228      1.01386386
+H      6.46007064      2.48840300     -1.90244361
+H      7.24293786      3.40473166     -0.51888237
+H      5.14260810      4.82180554     -0.28751093
+H      4.37730978      3.89340543     -1.67351444 
+
+13
+-1443.7367226726049 10.778492 11.57497 -9.5681 -7.71 -10.566 -0.0407 -1.7927 -0.545 9.51509 1.16243 3.5529056202 11.1563718674 0.2160025
+O      2.49352112     -0.92212628      0.61996996
+C      2.28066843      0.17127613      0.10073998
+C      0.96519901      0.47270152     -0.45943391
+C     -0.14117215      0.68906517     -0.91457452
+C      3.31416672      1.23245441      0.00860799
+C      3.36048474      2.16365465     -1.20119755
+C      2.92249395      2.70494210      0.11675316
+H     -1.12289586      0.85889028     -1.30974416
+H      4.26473969      0.93006053      0.44869240
+H      2.59958294      2.01106223     -1.96692785
+H      4.35495302      2.41000314     -1.57236154
+H      3.60498402      3.33669416      0.68443757
+H      1.86246436      2.92190197      0.25073848 
+
+15
+-1602.6069970979981 12.094754 12.46385 -9.2381 -7.2804 -9.724 -0.0849 -1.7218 -0.795 9.35146 1.39645 3.4548822886 5.0012108834 0.58345755
+O      0.40853823      1.57968355      0.19518522
+C      1.58587682      1.23734307      0.18502197
+C      2.72060573      2.14141659      0.01480703
+C      3.98556360      1.65994897      0.02578964
+C      5.23631712      2.41447122     -0.12933659
+C      5.30478983      3.61971474     -1.07122467
+C      5.35590570      3.84405005      0.40185136
+H      1.87158838      0.15876737      0.31424321
+H      2.48544680      3.20179315     -0.11735215
+H      4.09931948      0.57731999      0.16343584
+H      6.14585097      1.81559473     -0.07061319
+H      4.38493675      3.86395671     -1.60333863
+H      6.22016375      3.73458173     -1.65197661
+H      6.30736537      4.11759416      0.85777722
+H      4.47213146      4.24771398      0.89700036 
+
+13
+-1443.712495822996 11.973967 12.84959 -9.6711 -7.6947 -9.926 -0.0938 -1.8502 -0.656 9.59771 1.26924 3.4497120724 6.1594632982 0.331624408
+O      0.92301537      0.23266446     -0.58595677
+C      2.02057140      0.23136993     -0.03581270
+C      2.92463957      1.34133496     -0.02375588
+C      3.73043128      2.26240946      0.00275189
+C      4.63470426      3.36114831      0.00523907
+C      4.69474899      4.28369055     -1.21687861
+C      4.07765058      4.78843790      0.04506854
+H      2.39367715     -0.67004886      0.50838861
+H      5.57821613      3.19929099      0.53062417
+H      4.03661057      4.03129244     -2.04703732
+H      5.68639773      4.63852692     -1.49647635
+H      4.63359424      5.49955121      0.65552628
+H      2.99358274      4.88309173      0.08554907 
+
+17
+-1727.8839847032505 11.693466 12.83992 -9.741 -7.5244 -9.636 1.3277 -0.0963 1.286 9.08669 -0.71099 6.7189005288 6.7189005288 0.444004387
+O      1.10322537      0.33660771      0.11009687
+C      2.49701689      0.01737009     -0.08057010
+C      2.61268294     -0.69701384     -1.39783623
+C      3.15420199     -1.90859130     -1.55264838
+C      3.34663368      1.27375446     -0.04569785
+C      3.73337106      1.86153524      1.29816854
+C      4.77698044      1.20950592      0.42169391
+H      1.06857061      1.02166527      0.80226548
+H      2.84474959     -0.66221865      0.72539296
+H      2.22640814     -0.14580860     -2.26206320
+H      3.52724734     -2.47797597     -0.69738055
+H      3.24380501     -2.37389945     -2.53512009
+H      3.12042383      1.98716815     -0.84324250
+H      3.42618838      1.32138117      2.19648063
+H      3.74728921      2.94661747      1.40390841
+H      5.50731977      1.84656287     -0.07694077
+H      5.16167575      0.23642946      0.73140289 
+
+15
+-1568.676996138638 11.216583 12.57361 -10.0058 -7.6568 -9.824 0.9693 -0.1331 2.273 9.41363 -1.8461 4.4001143568 10.4624098268 0.387461908
+O      2.84258934     -0.93843660     -0.52598736
+C      2.25782658      0.21948990      0.10181915
+C      1.81635616     -0.16648961      1.44335501
+C      1.43781103     -0.44005553      2.56245341
+C      3.22811660      1.38727164      0.14335008
+C      3.38496601      2.24298088     -1.09692753
+C      2.70519532      2.79961915      0.13181152
+H      3.27609739     -0.61215970     -1.33574096
+H      1.35894799      0.54022683     -0.46747479
+H      1.10650625     -0.69467301      3.54841613
+H      4.12655409      1.19114494      0.73255851
+H      2.75334590      2.01729229     -1.95904847
+H      4.38273905      2.60287488     -1.34832672
+H      3.23427296      3.54231286      0.72827697
+H      1.62362533      2.93767107      0.09263505 
+
+17
+-1727.361734787591 12.017296 13.29543 -9.0843 -6.9393 -9.035 1.0414 -0.2209 1.338 8.51372 -0.69553 6.198494091 6.198494091 0.395122668
+O      1.57214528     -0.33443496      0.67276378
+C      2.85316534     -0.23735719      0.02016839
+C      3.20934477      1.20710869     -0.12579829
+C      4.35066866      1.74343082      0.32977908
+C      4.80360025      3.14487653      0.15442414
+C      5.57326561      3.55006231     -1.09733553
+C      4.18495533      4.08642844     -0.84774951
+H      1.27537694     -1.25786128      0.60315213
+H      2.80052389     -0.70730515     -0.98197590
+H      3.63723260     -0.76301680      0.59730420
+H      2.47285298      1.82745713     -0.64673869
+H      5.04532969      1.09442541      0.87935132
+H      5.17311443      3.60922415      1.07394640
+H      5.68481289      2.78983920     -1.87138400
+H      6.42515156      4.22091237     -0.98172847
+H      4.08020727      5.13233966     -0.55888579
+H      3.38026251      3.71147066     -1.48045326 
+
+17
+-1727.242982614876 11.697173 12.78705 -9.1996 -7.055 -9.16 1.0146 -0.2654 1.355 8.53681 -0.70214 6.3252821746 6.3252821746 0.395711833
+O      2.84181016     -0.38109819     -1.50431197
+C      2.21325580      0.04265423     -0.27927282
+C      2.67364403      1.44236658      0.05075063
+C      1.78150331      2.43163275      0.21190523
+C      4.14758016      1.59941577      0.21043698
+C      4.77934760      2.78138240      0.89581595
+C      4.78228684      1.43730794      1.58557538
+H      2.68255594     -1.33455466     -1.60218989
+H      2.50292057     -0.63329728      0.54868461
+H      1.11296221      0.02423531     -0.37314233
+H      0.71192096      2.24938468      0.09313829
+H      2.08618004      3.44762148      0.46677114
+H      4.71851265      1.15337044     -0.60748312
+H      4.12801846      3.55254371      1.30722110
+H      5.71959489      3.15591849      0.49046900
+H      5.72025495      0.88522281      1.65681399
+H      4.10543142      1.31066354      2.43210784 
+
+15
+-1572.901732395319 11.98213 13.70372 -9.1521 -6.9961 -9.085 0.9054 -0.2261 2.352 8.65848 -1.8563 4.1149465568 9.279794163 0.577298932
+O      1.12338485     -0.09837427      0.63189888
+C      2.33270396      0.01875911     -0.14337648
+C      2.87614082      1.36147679     -0.02528607
+C      3.36031255      2.47620306      0.05044873
+C      3.91468060      3.79428393      0.14316998
+C      3.96696660      4.69014934     -1.09098124
+C      3.00194181      5.00978786      0.01218602
+H      0.80261993     -1.01058543      0.52090834
+H      2.13480635     -0.19927626     -1.21072672
+H      3.09194378     -0.70777933      0.20449803
+H      4.74729398      3.90253979      0.84276606
+H      3.56864995      4.27212849     -2.01467747
+H      4.85244791      5.31507937     -1.20708663
+H      3.21688531      5.85624587      0.66452241
+H      1.94489159      4.80798167     -0.15587383 
+
+17
+-1672.403729491964 10.476535 11.98597 -9.9211 -7.746 -11.942 0.9238 -0.1079 2.873 11.06637 -2.59589 9.2415196848 11.3807121358 0.290354079
+O      3.49634801      1.33075851      2.41900760
+C      2.81863909      2.39668664      1.73124219
+C      2.86941382      2.11554175      0.23554009
+C      4.28636000      2.00997378     -0.35273927
+C      5.06967181      3.29707884     -0.28164474
+C      5.94260379      3.74810299     -1.37818683
+O      4.65386018      4.36153624     -1.17451892
+H      3.44289629      1.50704074      3.37264424
+H      3.29264852      3.36991589      1.95970649
+H      1.76255584      2.45876082      2.05199795
+H      2.31778395      2.91532630     -0.28427366
+H      2.33206530      1.17372963      0.04159622
+H      4.21343757      1.70066215     -1.40703993
+H      4.84732911      1.22693287      0.18254856
+H      5.32140374      3.65532954      0.72518796
+H      6.02617678      3.13029703     -2.27945336
+H      6.80400619      4.38950627     -1.16210458 
+
+15
+-1542.5761460632123 9.942581 11.22384 -9.7948 -7.5732 -11.085 1.1373 -0.9305 -0.105 10.1853 0.73357 3.6946092196 11.5096575758 0.17982806
+O      4.31867953      1.19262098      2.26803498
+C      3.28744773      1.59808403      1.76187310
+C      3.09793935      1.89894254      0.29627106
+C      4.34532839      1.72929855     -0.57427837
+C      5.36144352      2.82303189     -0.34646531
+C      6.13516484      3.40853221     -1.45259017
+O      5.02108813      4.12605497     -0.88394551
+H      2.37441491      1.76653558      2.39103123
+H      2.69146203      2.92334006      0.21378297
+H      2.27493659      1.24567831     -0.04787816
+H      4.05130579      1.73092321     -1.63439067
+H      4.81686279      0.75764505     -0.35604303
+H      5.79912085      2.86286477      0.65762286
+H      5.97642905      3.03500139     -2.47061641
+H      7.12007649      3.84489645     -1.25570858 
+
+11
+-1240.0245424320167 9.619479 10.33068 -10.0166 -8.0726 -10.877 -0.4707 -2.2765 -0.88 9.8902 1.49172 3.5392299644 11.6811798082 0.620093958
+O      3.06905248     -1.40662013     -0.20152320
+C      2.72043028     -0.27530821      0.11991869
+C      1.49597305     -0.02773903      0.85823820
+C      0.45627955      0.14178752      1.46413187
+C      3.54636427      0.92396164     -0.25432185
+C      2.89347673      2.15538940     -0.76292473
+O      3.43021533      2.10420994      0.56055152
+H     -0.45925983      0.28290101      2.00347961
+H      4.55408878      0.67099043     -0.59945573
+H      1.80112533      2.19521972     -0.82281348
+H      3.45015403      2.76732773     -1.48006090 
+
+13
+-1403.0174851452816 11.133391 11.43298 -9.6465 -7.6321 -10.28 -0.4273 -2.1651 -1.062 9.65789 1.60049 3.4027585742 5.309824436 0.668104295
+O      1.44960551     -0.93263674     -0.79204749
+C      2.34443692     -0.37821581     -0.16791561
+C      2.88561526      0.94574673     -0.49263067
+C      3.85414427      1.50350577      0.26291480
+C      4.43831424      2.82764130      0.02312267
+C      4.88865512      3.67258242      1.15769641
+O      5.84442737      2.97266450      0.35929393
+H      2.82171435     -0.87098085      0.71971251
+H      2.46539737      1.45408434     -1.36507550
+H      4.25570055      0.95160256      1.12122880
+H      4.14176449      3.33817759     -0.89993450
+H      4.76638426      3.30408134      2.18209825
+H      4.86740028      4.76030687      1.03029639 
+
+11
+-1238.995910795621 10.5857 11.48109 -10.1394 -8.1179 -10.456 -0.49 -2.3373 -0.906 9.89711 1.47223 3.5072043806 10.8363887986 0.389875897
+O      0.88425713      0.03343497     -0.41333280
+C      2.05260016      0.05014343     -0.04772453
+C      2.88207098      1.22437947     -0.04304867
+C      3.62399185      2.19452142     -0.03087642
+C      4.49401426      3.33169241     -0.01652538
+C      4.62646132      4.19654180     -1.21944246
+O      3.88220020      4.64471713     -0.08569721
+H      2.56510850     -0.87235130      0.31616512
+H      5.35011836      3.27114769      0.66425055
+H      4.03412710      3.95415700     -2.10674177
+H      5.58660015      4.69534598     -1.38793643 
+
+15
+-1530.171093419949 10.307387 11.2789 -9.6834 -7.4581 -9.697 1.3493 -0.0604 1.156 9.18404 -0.59359 6.6670619822 6.6670619822 0.460183313
+O      1.39365728     -0.17063330      0.56514281
+C      2.64847642     -0.14864529     -0.09722153
+C      2.48176045     -0.35110202     -1.57755033
+C      1.30728861     -0.49688630     -2.19757473
+C      3.39168997      1.15843636      0.18811178
+C      2.67482387      2.42785488      0.35692554
+O      3.17107718      1.69454935      1.51150641
+H      1.56114027      0.22873753      1.44249748
+H      3.29416294     -0.96889770      0.28896600
+H      3.41714373     -0.38556704     -2.14590644
+H      0.37289653     -0.47906477     -1.63574291
+H      1.25595091     -0.64544098     -3.27647467
+H      4.43739351      1.18385815     -0.14234548
+H      1.58631269      2.43672325      0.25208138
+H      3.19459566      3.36991786      0.16015470 
+
+13
+-1367.6530000105429 10.056349 11.28709 -10.1125 -7.7999 -9.918 0.7957 -0.4556 2.051 9.5137 -1.7646 4.4075287196 10.4205521532 0.270022977
+O      1.09462626      0.30858166     -0.11616880
+C      2.49254284     -0.03568539     -0.09321436
+C      2.78706363     -0.83717541     -1.27810715
+C      3.08181030     -1.48662626     -2.25816622
+C      3.34883409      1.22760731     -0.05578614
+C      3.73026021      1.82654380      1.23590996
+O      4.68434442      1.08634849      0.44940677
+H      0.90916682      0.78887542      0.71116123
+H      2.73997479     -0.63814423      0.80336458
+H      3.33170291     -2.06839707     -3.12196700
+H      3.24612213      1.87378411     -0.93536778
+H      3.42435091      1.34009666      2.17010728
+H      3.90965069      2.90470092      1.29701763 
+
+15
+-1529.7375464569395 11.10635 12.19867 -9.4566 -7.2885 -9.425 0.9524 -0.5312 0.985 8.92468 -0.37212 6.29724894 6.29724894 0.498694475
+O      1.69427207     -0.75359591      0.84648130
+C      2.72009166     -0.34685059     -0.07809563
+C      2.90520817      1.13194577      0.03601879
+C      4.08097548      1.72934918      0.27913468
+C      4.25497717      3.18966791      0.36445098
+C      5.32874562      3.79266099      1.18359640
+O      5.46128794      3.73627817     -0.24303619
+H      1.45286081     -1.67129585      0.63413718
+H      2.41716173     -0.59400072     -1.11450172
+H      3.67419000     -0.86575747      0.12829656
+H      2.00182839      1.73632027     -0.10170942
+H      4.98669055      1.12894913      0.42027006
+H      3.35756001      3.79409441      0.18543618
+H      6.00256518      3.13630145      1.74616567
+H      5.17572521      4.79233324      1.60517517 
+
+15
+-1526.9511569141691 10.380933 11.48269 -9.4251 -7.1658 -9.308 1.23 -0.1693 1.214 8.7104 -0.5776 6.3173098748 6.3173098748 0.335374001
+O      0.77084163      0.02827478     -0.40497118
+C      2.13296658     -0.04405281      0.01294124
+C      2.74351818      1.33102964      0.05126094
+C      2.07062554      2.44266689     -0.27121415
+C      4.19605742      1.37437878      0.42541285
+C      4.64808071      1.68674451      1.79607130
+O      4.69027295      0.33495020      1.30358807
+H      0.39990455     -0.86677663     -0.34790501
+H      2.73162455     -0.67551444     -0.67471849
+H      2.22806245     -0.49943722      1.01619235
+H      1.02831658      2.38996793     -0.58287904
+H      2.54971262      3.42268900     -0.23481314
+H      4.88857441      1.60945923     -0.39370796
+H      3.89330275      1.88159549      2.56477644
+H      5.62559906      2.15657466      1.94915576 
+
+13
+-1370.0016991029531 10.644175 12.28628 -9.6236 -7.3401 -9.405 0.8819 -0.5101 2.003 9.01717 -1.52819 4.1424838474 10.2193352738 0.27251654
+O      0.96672389     -0.00633268     -0.06125798
+C      2.40080954     -0.03060477      0.01289055
+C      2.91373924      1.33274354      0.02106512
+C      3.36695303      2.46075756      0.01678022
+C      3.92805647      3.78510784      0.03714088
+C      3.85108546      4.68450914     -1.13828792
+O      3.00483067      4.90536927     -0.00175262
+H      0.66586017     -0.93169086     -0.06242231
+H      2.83416889     -0.56973083     -0.85179407
+H      2.74361169     -0.54708762      0.93007026
+H      4.76511172      3.92938150      0.73064552
+H      3.34304392      4.32462418     -2.03843433
+H      4.64383531      5.42592373     -1.28687333 
+
+11
+-1283.7989349822813 10.766694 11.55347 -9.9146 -7.7904 -10.165 -0.3894 -2.193 -0.722 9.72549 1.35421 3.5262982246 6.7972100864 0.123351032
+O      2.66093456      1.05193827      0.77575491
+C      2.47645832      0.16663461     -0.04639597
+C      3.00501743     -1.26297953      0.17565702
+C      2.03523837     -2.31030711     -0.10036272
+C      1.20823937     -3.17079782     -0.31698309
+C      1.79229167      0.41686725     -1.29767735
+C      1.23825143      0.65306929     -2.35305151
+H      3.36429770     -1.31024693      1.21409002
+H      3.88364649     -1.38188987     -0.48384969
+H      0.48161595     -3.93377188     -0.50825870
+H      0.74047870      0.86287371     -3.27884292 
+
+13
+-1445.466760325885 11.965411 12.70139 -9.6255 -7.5764 -10.006 -0.2438 -1.9792 -0.91 9.56079 1.49124 3.4266754736 10.8659718582 0.695155878
+O      1.12474979     -0.71325553      0.14410710
+C      2.30154899     -0.38856936      0.06595495
+C      2.77983958      1.00005679      0.03747847
+C      4.09465399      1.27433643     -0.03348097
+C      4.68983474      2.65786583     -0.04596472
+C      5.62479990      2.85328497     -1.15156543
+C      6.40066689      2.99310788     -2.07342700
+H      3.11207067     -1.16186234      0.00914063
+H      2.02059772      1.78653006      0.07706439
+H      4.80917198      0.44454308     -0.08287675
+H      5.22967280      2.81891122      0.90582263
+H      3.89202957      3.41625462     -0.08502106
+H      7.08106339      3.12456635     -2.89004223 
+
+11
+-1276.338611324365 10.766605 11.78535 -9.8889 -7.6977 -9.959 0.6063 -1.3639 -0.271 9.62914 0.95879 3.652441581 8.849872708 0.082896236
+O      1.33571515     -0.39821352      0.78658981
+C      2.23358085     -0.07410196      0.05082081
+C      2.98215696      1.29731568      0.10583579
+C      2.62054099      2.11325264      1.25884653
+C      2.29391665      2.78065366      2.21508711
+C      4.41945355      1.04832306     -0.01847366
+C      5.59302566      0.76706248     -0.13479267
+H      2.61815270     -0.72976198     -0.76772510
+H      2.64452980      1.81280720     -0.81857937
+H      2.01278146      3.36840311      3.06500241
+H      6.63723623      0.54712961     -0.22752167 
+
+11
+-1282.6546599149283 11.396933 12.79017 -10.0864 -8.0252 -9.986 -0.2495 -2.1312 -0.783 9.83769 1.38829 3.4915201516 10.574331989 0.828220266
+O      0.91383181      0.00470223      0.00003785
+C      2.13621058      0.06243920     -0.00005642
+C      2.89250952      1.28724998     -0.00003523
+C      3.58747360      2.28844187     -0.00001761
+C      4.41129923      3.49362078      0.00000369
+C      3.65127074      4.74398528      0.00000445
+C      3.04144458      5.79050879      0.00000506
+H      2.76262559     -0.86175672      0.00005431
+H      5.07929290      3.46484278     -0.87941037
+H      5.07929047      3.46483151      0.87941870
+H      2.49364098      6.71095428      0.00000557 
+
+13
+-1444.643554352942 12.2041 12.73041 -9.121 -7.0266 -8.756 0.4983 -1.2353 -0.155 8.35247 0.85014 3.6603642864 5.9307339254 0.397549307
+O      2.53727836      0.12199629      1.88480152
+C      2.20280806      1.00909395      1.12523175
+C      3.09331714      1.64922128      0.07607134
+C      4.51729062      1.20091220      0.08779634
+C      5.56610729      2.04592781      0.01602440
+C      6.92395163      1.64169225      0.01265756
+C      8.10348068      1.34028219      0.00232210
+H      1.15765984      1.41576267      1.13819321
+H      2.99981779      2.74524222      0.16744317
+H      2.60856433      1.40569076     -0.89220237
+H      4.69679094      0.12617406      0.16648998
+H      5.38504876      3.12558283     -0.04489544
+H      9.13680456      1.05993149      0.00333643 
+
+11
+-1291.7142856419036 12.465895 13.07657 -9.5003 -7.3795 -9.119 0.3835 -1.5101 -0.295 8.7384 0.9531 3.2064391418 7.7263859676 0.882115666
+O      1.18690618     -0.27389886      0.61243796
+C      2.20164677     -0.05367768     -0.01063263
+C      2.99107814      1.25935859      0.10734653
+C      4.42350875      1.05589240      0.05231483
+C      5.62133020      0.81213216      0.00501140
+C      6.95681020      0.56609980     -0.04751809
+C      8.15627937      0.34563141     -0.09755496
+H      2.62877247     -0.79227959     -0.73195112
+H      2.67735907      1.77262177      1.02929849
+H      2.66554429      1.89128528     -0.74111219
+H      9.20788456      0.15006474     -0.13958022 
+
+15
+-1586.825518679915 11.124714 12.20469 -9.7713 -7.5116 -9.934 1.1393 -0.8944 -0.099 10.1505 0.72401 3.6783298578 10.66155614 0.601041512
+O      3.11399901      2.99455013      2.05753909
+C      2.47831271      2.71973593      1.05497592
+C      2.97309305      1.86015644     -0.08083285
+C      4.41452632      1.37337674      0.04794516
+C      5.46241238      2.48850909     -0.16773855
+C      5.39206494      3.09832111     -1.49097314
+C      5.30854767      3.59214884     -2.59765645
+H      1.43253399      3.10371460      0.92413093
+H      2.82190327      2.42754565     -1.01770583
+H      2.26682230      1.01257253     -0.15383792
+H      4.59158018      0.57031787     -0.68223020
+H      4.56840581      0.95093344      1.05199520
+H      6.47030604      2.06829130     -0.01860314
+H      5.33298115      3.26512734      0.60275317
+H      5.24865121      4.03337899     -3.57152139 
+
+17
+-1730.2348917606007 12.492874 13.39833 -9.5357 -7.3001 -9.439 1.2926 -0.3482 1.072 9.22261 -0.50144 6.568716287 6.568716287 0.532535427
+O      1.44787685     -0.12564977      0.40517737
+C      2.74011671      0.29492146     -0.08705621
+C      2.80698893     -0.13247506     -1.56305494
+C      2.71224562     -1.61897807     -1.74937258
+C      3.63716056     -2.36749051     -2.36128833
+C      2.90416728      1.77947421      0.08035592
+C      3.86012339      2.35073518      0.82228602
+H      1.38055480      0.17940429      1.32677561
+H      3.54390398     -0.22609529      0.46891392
+H      3.74483813      0.24758702     -1.99627213
+H      1.97103819      0.36545452     -2.08627173
+H      1.81639450     -2.09405956     -1.33801380
+H      4.54499721     -1.92533227     -2.78126722
+H      3.51725020     -3.44666863     -2.46899904
+H      2.15977810      2.39628680     -0.43668766
+H      4.60573766      1.74743166      1.34762719
+H      3.93787793      3.43412401      0.92549760 
+
+15
+-1571.5218242993737 11.984277 13.0988 -9.7157 -7.4506 -9.523 1.1812 -0.2583 1.285 9.00544 -0.72211 4.3833886454 10.726710783 0.466887802
+O      0.54016276     -0.14918937     -0.12285697
+C      1.94562455     -0.33303646      0.13506680
+C      2.57526098     -0.89706181     -1.15540912
+C      2.00027167     -2.22805565     -1.54316715
+C      2.71893122     -3.34694282     -1.68921279
+C      2.58736812      0.91537220      0.55250114
+C      3.09790111      1.95408664      0.91998819
+H      0.16420534      0.33345937      0.63362280
+H      2.08383174     -1.08040318      0.94132553
+H      3.66244734     -0.97490786     -1.00716495
+H      2.39635154     -0.15405012     -1.95053660
+H      0.91902390     -2.25250695     -1.70843749
+H      3.80084588     -3.35619206     -1.53113917
+H      2.25231081     -4.28970894     -1.97841776
+H      3.55107304      2.87201702      1.23514755 
+
+15
+-1573.8526166897902 11.7046 12.64595 -10.1257 -7.7142 -9.823 1.3053 -0.3547 1.066 9.32836 -0.5066 4.3720935208 6.7175986758 0.407608731
+O      1.12721900     -0.38198338      0.06439687
+C      2.37122123      0.26309950     -0.27943174
+C      2.80273347     -0.40015333     -1.60402292
+C      4.13585356     -0.01502068     -2.04223593
+C      5.25209351      0.30242909     -2.39736814
+C      2.18131077      1.74776904     -0.39869662
+C      2.80842473      2.64782408      0.36631574
+H      0.76418129      0.09220122      0.83308322
+H      3.14026143      0.05055287      0.48695126
+H      2.05805186     -0.15349996     -2.37919441
+H      2.75513486     -1.49137448     -1.45742962
+H      6.23471500      0.58389901     -2.71597382
+H      1.45426158      2.06896154     -1.15346012
+H      3.53785534      2.34035858      1.11994892
+H      2.62720236      3.71798690      0.25755731 
+
+13
+-1414.6180171247324 11.210223 12.32926 -10.1215 -7.7585 -9.884 1.0543 -0.1582 1.849 9.66944 -1.56841 4.3780944432 10.5110495346 0.471495525
+O      0.97552239     -0.02000015      0.01928935
+C      2.41428546     -0.01063525      0.01909112
+C      2.83510967     -0.82329376     -1.22813765
+C      4.26076064     -1.10596791     -1.27933092
+C      5.45109067     -1.33872502     -1.30807580
+C      2.94881615      1.35088272      0.01696279
+C      3.34713441      2.49703576      0.04380354
+H      0.67949756      0.68866603      0.61714880
+H      2.79908167     -0.53479111      0.91491202
+H      2.51502409     -0.27257802     -2.12621920
+H      2.26170351     -1.76347929     -1.20099366
+H      6.50198516     -1.54145386     -1.34013278
+H      3.70879862      3.50520985      0.05462239 
+
+17
+-1729.0881054841338 12.82806 13.89005 -9.4069 -7.2147 -9.061 1.0485 -0.4295 0.959 8.55843 -0.58547 6.089262425 6.089262425 0.730387373
+O      1.62157665     -0.47313947     -1.14326719
+C      2.51794158     -0.22595395     -0.04292584
+C      2.88161829      1.22459589     -0.03984568
+C      4.13845944      1.68541029     -0.08098370
+C      4.53127266      3.13926132     -0.03452082
+C      5.35242640      3.46948154      1.18635334
+C      6.61034752      3.92394889      1.16539253
+H      1.25100856     -1.36469116     -1.02831886
+H      3.43154941     -0.84384234     -0.12482283
+H      2.02144279     -0.48176070      0.91362508
+H      2.04064141      1.92633677      0.00301421
+H      4.96709519      0.96863948     -0.13341052
+H      3.61851026      3.75898289     -0.04693026
+H      5.11272218      3.39491839     -0.93691495
+H      4.85799792      3.29929190      2.14943679
+H      7.13679473      4.09969269      0.22342023
+H      7.15468501      4.14059754      2.08567848 
+
+15
+-1572.2261896252214 12.12347 13.47987 -9.6712 -7.4155 -9.205 1.0194 -0.3611 1.139 8.73632 -0.52094 4.3571904036 10.7154404556 0.859605772
+O      1.36899081     -0.40022210     -1.01325848
+C      2.46226070     -0.29499352     -0.08262722
+C      2.82091684      1.14904852      0.06934214
+C      4.04708387      1.64177336     -0.13523256
+C      4.42075216      3.09536731      0.03972101
+C      5.52545181      3.29066280      0.97666006
+C      6.44995318      3.43340774      1.75009281
+H      1.02629701     -1.30890255     -0.96479152
+H      3.34135304     -0.86879215     -0.43003369
+H      2.16215165     -0.69951823      0.90368415
+H      2.00501952      1.81206675      0.37862799
+H      4.85712273      0.97441269     -0.44843535
+H      3.54278877      3.67061972      0.37548724
+H      4.71486493      3.51656233     -0.93888556
+H      7.26339298      3.56325735      2.43414901 
+
+17
+-1729.2793971371968 12.316269 13.11091 -9.3217 -7.1241 -9.15 1.2822 -0.2308 1.015 8.49102 -0.52169 6.2486836238 6.2486836238 0.628335592
+O      0.68171019     -0.04644260     -0.05623877
+C      2.10764685     -0.01336147     -0.12770878
+C      2.62171387      1.39679034     -0.01165495
+C      1.80676043      2.44557232      0.15969215
+C      4.12953063      1.53627548     -0.10681025
+C      4.86890842      0.87271264      1.02801902
+C      5.80822180     -0.06988759      0.88931469
+H      0.41026559     -0.97830772     -0.06383313
+H      2.46646539     -0.43863768     -1.08841544
+H      2.56265170     -0.62469468      0.67582186
+H      0.72726936      2.31258229      0.22268207
+H      2.20691495      3.45832669      0.23554814
+H      4.37166086      2.61184069     -0.11605007
+H      4.48845097      1.11668078     -1.06342781
+H      4.59399153      1.21395211      2.03300431
+H      6.10684534     -0.43564414     -0.09701201
+H      6.31523211     -0.50242748      1.75314895 
+
+15
+-1572.6391419679746 11.727348 12.68309 -9.7872 -7.5715 -9.353 1.0055 -0.4101 1.157 8.76917 -0.5373 4.3471103418 10.4825947476 0.455458038
+O      3.27900412     -0.72186031      0.67018576
+C      2.41339268      0.08158835     -0.15496384
+C      2.65116132      1.53357382      0.16012608
+C      1.66316659      2.33907825      0.56852907
+C      4.07706363      2.03208107     -0.01622402
+C      4.55335824      1.93605052     -1.39433158
+C      4.93766894      1.84874379     -2.54274859
+H      3.36983831     -1.59130547      0.24623950
+H      1.35273851     -0.16842427      0.02371367
+H      2.63722711     -0.08981843     -1.22407188
+H      0.65143823      1.95875520      0.72172326
+H      1.83039730      3.40137151      0.75656557
+H      4.73843442      1.42894858      0.62910814
+H      4.14909897      3.07538265      0.32774029
+H      5.28373164      1.78310473     -3.55385142 
+
+17
+-1726.6849588682567 12.231059 13.06862 -9.5414 -7.3238 -9.348 1.1048 -0.1949 1.224 8.86943 -0.71715 6.4567445304 6.7152305432 0.387777788
+O      2.90078370     -0.44660256     -0.94064733
+C      2.80905944     -0.20235369      0.46931663
+C      3.45329684      1.16569051      0.76844999
+C      3.22872866      1.52329879      2.21288219
+C      2.53619439      2.58353452      2.64248684
+C      4.91310287      1.16655170      0.36416740
+C      5.91853384      1.70468956      1.06350141
+H      2.53767974     -1.33071507     -1.11423615
+H      3.33524036     -0.98841390      1.04383029
+H      1.75464137     -0.17825101      0.79828003
+H      2.92360053      1.89944387      0.13168619
+H      3.67692929      0.84243482      2.94690046
+H      2.08588472      3.29167140      1.94180312
+H      2.39957671      2.78308356      3.70660701
+H      5.11579307      0.68226919     -0.59583667
+H      5.75287701      2.20965747      2.01795161
+H      6.94386746      1.66563084      0.69245697 
+
+15
+-1568.9300346540495 11.82499 12.85059 -9.7253 -7.4803 -9.312 1.1183 -0.2244 1.195 8.87125 -0.63938 4.3446306218 10.666701559 0.628294212
+O      2.67271430     -0.70859142      1.12567725
+C      2.34055745      0.00591733     -0.06519973
+C      2.93331894      1.42971816      0.02502797
+C      2.41660042      2.17286134      1.24165098
+C      1.66397344      3.27436300      1.17497866
+C      4.39803207      1.40482765      0.00427877
+C      5.61142196      1.39366377     -0.01782589
+H      2.42483316     -1.63830936      0.99812221
+H      1.24500467      0.10220896     -0.18021720
+H      2.75160151     -0.49132756     -0.96147378
+H      2.58606131      1.96330510     -0.87869745
+H      2.69437944      1.74110954      2.20620517
+H      1.38524731      3.72194333      0.21718208
+H      1.30333708      3.77044359      2.07705593
+H      6.68192693      1.38235659     -0.03239498 
+
+13
+-1413.1656297598217 11.231931 12.39065 -10.0167 -7.7536 -9.779 1.0229 -0.0746 1.713 9.48001 -1.43992 4.3278801132 10.6579853432 0.588059351
+O      1.06525912     -0.21016846     -0.25850417
+C      2.46926742     -0.11556084     -0.10766862
+C      2.95668731      1.37082453     -0.06437596
+C      2.30223842      2.07084357      1.04553809
+C      1.69303342      2.58113368      1.96243678
+C      4.41708240      1.43266884      0.01079461
+C      5.62876642      1.42392790      0.05586007
+H      0.66051248      0.22591376      0.51583577
+H      2.91742346     -0.60083559     -0.98484777
+H      2.83023968     -0.62524432      0.80261098
+H      2.62675177      1.84312273     -1.00821179
+H      1.18502131      3.06443861      2.77233246
+H      6.69878681      1.43571558      0.09915955 
+
+15
+-1572.6085381489281 12.31488 13.97725 -9.5142 -7.1954 -9.191 1.0086 -0.3027 1.234 8.81001 -0.67986 4.1713105924 9.9795463498 0.442693809
+O      0.98170167     -0.10937795     -0.20075370
+C      2.40890488     -0.06069146     -0.02094910
+C      2.85782522      1.32448133     -0.00282419
+C      3.27637915      2.46520195      0.02237704
+C      3.73884901      3.85172725      0.03508625
+C      2.60284065      4.84415918     -0.07991700
+C      2.38519517      5.84042708      0.78261996
+H      0.72767510     -1.04874809     -0.19706894
+H      2.92542211     -0.59813228     -0.83929229
+H      2.70165959     -0.54615387      0.92978475
+H      4.43506832      4.00087443     -0.81065929
+H      4.31427615      4.05050008      0.95420942
+H      1.93968746      4.70490185     -0.93883564
+H      3.02349848      5.99277153      1.65662826
+H      1.55838701      6.53837896      0.64515445 
+
+13
+-1413.715845596386 11.61595 13.54482 -9.6696 -7.3355 -9.283 0.913 -0.328 1.88 8.9249 -1.5937 4.1869824228 10.946785933 0.632642242
+O      0.96017809     -0.05745506      0.00136061
+C      2.39710670     -0.02568376     -0.00089052
+C      2.85989123      1.35521451     -0.00028779
+C      3.27925675      2.49409424      0.00005643
+C      3.79044165      3.86627745      0.00130588
+C      2.73877043      4.88188620     -0.08268938
+C      1.87770689      5.73192718     -0.15160451
+H      0.69674443     -0.99415295     -0.00275154
+H      2.80268086     -0.53898457     -0.89388447
+H      2.80550409     -0.54046111      0.89004075
+H      4.48847331      3.99960411     -0.84408226
+H      4.38490631      4.03786499      0.91610822
+H      1.10674925      6.47235877     -0.21321141 
+
+17
+-1735.1609168481696 13.601182 13.90217 -8.4663 -6.4256 -8.273 0.728 -0.7759 0.394 7.78341 0.17165 5.065757995 5.065757995 0.832871053
+O      1.14367654      1.79459617     -0.29305587
+C      1.85446967      2.07702373      0.92136693
+C      3.17678376      2.75278036      0.55273359
+C      4.10188128      1.86866752     -0.22546362
+C      5.36276869      1.55774368      0.14048376
+C      6.24294078      0.69658651     -0.62724051
+C      7.50317550      0.37834101     -0.27386320
+H      0.34685705      1.28791432     -0.06540012
+H      2.05548337      1.14767202      1.48542161
+H      1.26805700      2.75528080      1.56907574
+H      3.66521722      3.09857720      1.47761991
+H      2.92962370      3.65075401     -0.04182551
+H      3.69948292      1.45088961     -1.15466875
+H      5.76896400      1.97343438      1.07164854
+H      5.83025369      0.28788289     -1.55674023
+H      7.95120021      0.76623094      0.64428567
+H      8.12029461     -0.27516516     -0.89036792 
+
+15
+-1576.6427199971365 12.758705 13.47857 -8.8711 -6.7606 -8.5 0.6762 -0.8739 0.613 8.09113 -0.036 4.0944640696 5.9303991632 0.457384798
+O      2.53873784     -0.50130887     -1.47809189
+C      2.23394681     -0.15027222     -0.12124112
+C      2.92004344      1.18189809      0.18815470
+C      4.41420827      1.09997961      0.15702743
+C      5.21163353      1.45853706      1.18548325
+C      6.62719277      1.38505307      1.17148107
+C      7.84385674      1.33786712      1.20469734
+H      2.18367837     -1.38934015     -1.64808855
+H      2.59354402     -0.92681335      0.57864056
+H      1.14287473     -0.03635002      0.01956006
+H      2.57508960      1.53978712      1.17100873
+H      2.57374901      1.91057763     -0.56663369
+H      4.86577497      0.71840786     -0.76268059
+H      4.75816572      1.84044473      2.10809159
+H      8.91326420      1.29171232      1.21908112 
+
+17
+-1733.2579451313159 12.665377 13.01268 -8.7822 -6.731 -8.611 0.4847 -1.0464 0.232 8.04627 0.28947 5.2237285576 5.2237285576 0.727228467
+O      1.17149785      1.03737975      1.07217203
+C      2.58959893      1.18093135      1.24518192
+C      3.22650935      1.16835542     -0.14602767
+C      4.72285840      1.38833961     -0.10078911
+C      5.57847934      0.34556585     -0.17876253
+C      5.25407247      2.74680009      0.04549877
+C      4.54155069      3.88827080      0.07144310
+H      0.76435245      1.02205973      1.95455378
+H      3.00312348      0.34742683      1.84238749
+H      2.83120959      2.12412750      1.76725470
+H      2.73805325      1.94287318     -0.75828051
+H      3.00610528      0.20066387     -0.61967183
+H      5.22133613     -0.67788721     -0.30481619
+H      6.65901330      0.49375020     -0.12527970
+H      6.34469718      2.81130460      0.12693871
+H      3.45327715      3.90039629     -0.01164003
+H      5.03674515      4.85437217      0.17007705 
+
+15
+-1575.5719939362796 12.102486 12.83451 -9.1814 -7.0489 -8.836 0.518 -1.0546 0.5 8.33169 0.04571 4.0591900526 6.0409574794 0.442454675
+O      1.00042264      0.37830272     -0.30797696
+C      2.32684900     -0.16242382     -0.23548466
+C      3.28530877      1.01074712     -0.03711414
+C      4.73702716      0.57792354      0.00807834
+C      5.49346936      0.69726345      1.11952581
+C      5.28003169      0.02675260     -1.19196397
+C      5.69962094     -0.42927359     -2.23984320
+H      0.38454490     -0.35946285     -0.45120387
+H      2.58842860     -0.70388683     -1.16225655
+H      2.42390488     -0.86634984      0.61209038
+H      3.02925252      1.53279715      0.89618730
+H      3.13536962      1.71880841     -0.86809665
+H      5.07534239      1.12236982      2.03292512
+H      6.53630331      0.38137772      1.13302142
+H      6.08154423     -0.82796560     -3.15730837 
+
+15
+-1579.8940864644837 12.976041 14.22442 -8.8399 -6.7579 -8.574 0.7546 -0.8731 0.549 8.14117 -0.00191000000001 3.8227487506 5.956225447 0.522570708
+O      0.91160211      0.06853405      0.01469019
+C      2.34028871     -0.02828986      0.01611616
+C      2.88402389      1.40430908      0.00022729
+C      4.33791537      1.45151064      0.00014219
+C      5.55778735      1.48969984      0.00027803
+C      6.97571568      1.48972246      0.00026228
+C      7.75030998      2.59259625     -0.00001565
+H      0.54871209     -0.83267240      0.02517174
+H      2.70881488     -0.57133493     -0.87247988
+H      2.70838708     -0.55131181      0.91681197
+H      2.48634521      1.94242758      0.87730992
+H      2.48692485      1.92259149     -0.88899884
+H      7.45461311      0.50413021     -0.00027950
+H      7.31590412      3.59290597      0.00050087
+H      8.83678558      2.50831144      0.00006322 
+
+13
+-1425.0243825028194 12.902281 13.9101 -9.3268 -7.1618 -8.774 0.8961 -0.7525 0.947 8.40151 -0.54037 3.215824882 7.9031652064 2.004858689
+O      0.96073570      0.11353420      0.01437641
+C      2.38531491     -0.01227784      0.01574800
+C      2.95185431      1.41407470      0.00019617
+C      4.40208022      1.43788345     -0.00004581
+C      5.62539704      1.43451369     -0.00000105
+C      6.98506782      1.43498166     -0.00001463
+C      8.20610042      1.43313637     -0.00000782
+H      0.57826676     -0.77955616      0.02416501
+H      2.74523386     -0.56000799     -0.87314606
+H      2.74523621     -0.54049498      0.91637234
+H      2.56436791      1.95716060      0.87859674
+H      2.56438056      1.93789062     -0.88983304
+H      9.27627428      1.43270168     -0.00001627 
+
+19
+-1872.5309852779533 12.540513 14.14401 -9.6491 -7.3776 -9.545 0.9778 -0.0332 1.334 9.00274 -0.77546 6.6775883936 6.6775883936 0.474243047
+O      0.96447966     -0.37088824     -0.21129439
+C      2.36709258     -0.23588511      0.06253518
+C      2.73795244      1.23447765     -0.06068876
+C      4.22297185      1.48890787      0.20966332
+C      4.61048618      2.97340008      0.08572444
+C      6.06864285      3.21961711      0.34084399
+C      6.56210375      3.98699393      1.31957898
+H      0.73074760     -1.31025935     -0.12548278
+H      2.96481889     -0.83449921     -0.65220755
+H      2.60404650     -0.59807694      1.08174529
+H      2.11902627      1.81323979      0.64497243
+H      2.47010095      1.58095718     -1.07286536
+H      4.83555862      0.89562351     -0.49231957
+H      4.48589594      1.13635821      1.22167019
+H      4.00496118      3.57609421      0.78300392
+H      4.35548927      3.31773998     -0.93333409
+H      6.76709158      2.70738280     -0.33290704
+H      5.90264114      4.51321930      2.01533891
+H      7.63599274      4.11961724      1.45907288 
+
+17
+-1716.8210162409362 11.997248 13.83654 -10.1092 -7.6588 -9.86 0.9181 -0.0774 2.298 9.48054 -1.93279 4.3683119478 10.6268896544 0.958064858
+O      0.87142964      0.07531282      0.00416406
+C      2.30300919     -0.02002289      0.01359012
+C      2.87006805      1.39179598     -0.00564569
+C      4.39940894      1.40943493      0.00580470
+C      4.96523998      2.84341919     -0.01383518
+C      6.42200169      2.88936391     -0.00100771
+C      7.63606187      2.90307203      0.01523065
+H      0.51009111     -0.82665630      0.01390661
+H      2.66549366     -0.58164674     -0.86897014
+H      2.65522724     -0.55299665      0.91784984
+H      2.47577698      1.93882077      0.86702101
+H      2.48921196      1.90951195     -0.90188055
+H      4.79404638      0.86129726     -0.86504773
+H      4.78043329      0.89084929      0.90043818
+H      4.57877820      3.40355274      0.85503933
+H      4.59428606      3.37335338     -0.90803345
+H      8.70650576      2.92375834      0.02786595 
+
+19
+-1822.5813924758572 11.300923 13.02989 -10.0901 -7.7399 -11.964 0.9035 -0.1021 2.914 11.53536 -2.71259 9.9060846448 10.5046270598 0.101523003
+O      2.30725659     -0.11007217     -1.22345441
+C      1.95750585      0.52098336      0.01974325
+C      2.59637662      1.90146387      0.05649982
+C      4.12794443      1.87270279      0.06191723
+C      4.75324451      3.27022143      0.09312968
+C      6.27951007      3.23590393      0.06088166
+O      6.88194421      4.53403228      0.14804397
+H      1.91784523     -0.99980979     -1.22859645
+H      2.31749979     -0.08163034      0.87661134
+H      0.85945889      0.61702948      0.11131073
+H      2.22709065      2.42461449      0.95516937
+H      2.23612204      2.47576617     -0.81424016
+H      4.47699170      1.32441761     -0.82790263
+H      4.47505285      1.29586878      0.93831266
+H      4.43155570      3.81572378      0.99638508
+H      4.38765105      3.85233473     -0.77327549
+H      6.62558606      2.70150389     -0.84520488
+H      6.66512171      2.68167135      0.93099685
+H      6.59326205      5.04340438     -0.62952761 
+
+13
+-1421.1753137865194 10.826477 11.32285 -9.6444 -7.5743 -10.392 -0.2403 -2.0291 -0.981 9.65304 1.53273 3.4166078104 5.4332896948 0.602577453
+O      2.02078892      0.75909035     -0.34188665
+C      2.35621864      1.90046657     -0.58510770
+C      3.73326188      2.48256367     -0.31192297
+C      4.74908370      1.49963744      0.16393966
+C      6.03372489      1.45906546     -0.23520652
+C      6.95887393      0.45655508      0.30951392
+O      8.14198213      0.37297200      0.00967749
+H      1.63496854      2.63408700     -1.02727606
+H      3.56551377      3.26425459      0.45708655
+H      4.06820693      3.03347306     -1.20658885
+H      4.39831404      0.75793388      0.89028740
+H      6.44238734      2.16074967     -0.96859841
+H      6.49690528     -0.25278878      1.04459213 
+
+11
+-1259.9182634686624 10.552539 11.46315 -10.1861 -8.0597 -10.677 -0.4764 -2.3456 -1.098 10.12777 1.6709 3.5203220994 10.5807668624 0.490412464
+O      1.16238601     -0.36365291      0.10592376
+C      2.18553320      0.09966253     -0.34448130
+C      3.00079464      1.18196512      0.38406341
+C      4.42870603      0.99638615      0.23686241
+C      5.61310681      0.77026715      0.04691080
+C      7.02717996      0.55030288     -0.10544311
+O      7.54890993      0.11562939     -1.12392212
+H      2.60310967     -0.21454516     -1.33133027
+H      2.68500445      1.22049424      1.43706585
+H      2.71008605      2.14389085     -0.07897905
+H      7.63205326      0.81029976      0.79554962 
+
+15
+-1560.8575076827594 10.221991 11.31809 -9.6695 -7.4406 -10.938 0.8717 -1.1839 -0.385 10.45085 1.00877 3.6808467736 8.2041288228 0.194175819
+O      1.44481602     -0.39495750     -1.17053003
+C      2.07771152      0.09714963     -0.25459926
+C      2.79201463      1.42410669     -0.30737706
+C      4.28052459      1.28165575      0.05777828
+C      5.01253431      2.62151643      0.11902073
+C      4.66230699      3.49984022      1.29627979
+O      3.91895470      3.18530883      2.20820299
+H      2.16985391     -0.44120561      0.72678025
+H      2.30636395      2.08020790      0.43620290
+H      2.65671136      1.86093846     -1.30767474
+H      4.77629568      0.63703010     -0.68393604
+H      4.37203111      0.78080631      1.03482435
+H      4.86106651      3.21907752     -0.79872929
+H      6.10767323      2.47261743      0.17010978
+H      5.16266150      4.50345783      1.29086735 
+
+15
+-1550.7306371234702 10.801482 11.64417 -9.8302 -7.6096 -9.832 0.5598 -1.4186 -0.356 10.31867 1.00329 3.6917699402 6.6877676442 0.455764897
+O      0.30392903     -0.70754010      0.25619230
+C      1.67846966     -0.96238052      0.44054300
+C      2.39759937     -1.22375169     -0.90555407
+C      1.85545410     -2.43201688     -1.61227855
+C      2.59341089     -3.48133702     -1.99049265
+C      2.33907347      0.18170186      1.17611953
+O      1.70981186      1.16536679      1.53012448
+H      0.14756683      0.16504765      0.68125925
+H      1.81933625     -1.86263314      1.07826898
+H      3.47875735     -1.34496405     -0.72631378
+H      2.25517623     -0.32579458     -1.53156760
+H      0.77976534     -2.41978531     -1.81216701
+H      3.67024538     -3.52132050     -1.80493301
+H      2.14819140     -4.33434931     -2.50431692
+H      3.43190284      0.08149680      1.37930602 
+
+13
+-1394.5791220309304 10.096038 11.02704 -10.1769 -7.9264 -10.313 0.5015 -1.4974 -0.379 10.36879 1.01462 3.6872444512 11.1376499814 0.306466658
+O      1.18362172     -0.00109121      0.47579872
+C      2.51716348      0.04458815      0.03450309
+C      2.60834327     -0.40663822     -1.45114433
+C      3.97559098     -0.55779493     -1.92695763
+C      5.12625635     -0.68327955     -2.29249715
+C      3.09318639      1.43366803      0.22201421
+O      2.43121577      2.32312390      0.73289302
+H      1.00143125      0.90155658      0.82475168
+H      3.15490681     -0.64318177      0.62968328
+H      2.05440422      0.31184244     -2.07665024
+H      2.07381270     -1.36635843     -1.52299524
+H      6.13594035     -0.79515327     -2.63204086
+H      4.13754671      1.59792828     -0.12541855 
+
+15
+-1547.9762414636564 10.984122 12.08411 -9.5597 -7.3262 -9.484 1.1303 -0.9037 -0.065 10.07234 0.73057 3.6730604528 6.401707145 0.421471948
+O      2.24272419     -1.26413765     -1.08034998
+C      3.36071640     -0.76730702     -0.32113348
+C      3.00842030      0.58399650      0.21391306
+C      3.74230225      1.68507843      0.01524596
+C      3.41134758      3.03322064      0.57325372
+C      4.54264716      3.73626784      1.29641336
+O      5.68451163      3.32856324      1.38648582
+H      2.39801912     -2.20859706     -1.25067732
+H      4.27171590     -0.70209869     -0.94437471
+H      3.57780391     -1.44740621      0.52544145
+H      2.08957173      0.63144353      0.81001748
+H      4.65700302      1.62170312     -0.58303723
+H      2.54388130      2.99845146      1.25494414
+H      3.10843066      3.73287761     -0.23302323
+H      4.24641483      4.71809424      1.75141097 
+
+15
+-1547.557266945375 10.69829 11.46406 -9.274 -7.111 -9.675 0.8683 -0.8611 0.029 9.10513 0.61368 3.6721677536 6.4494293564 0.276402531
+O      2.88731586     -0.61995168      1.02858346
+C      2.17268826      0.03920812     -0.03235105
+C      2.57781705      1.48873063     -0.07532441
+C      1.65840938      2.46521995     -0.09386953
+C      4.06092630      1.79212327     -0.11499539
+C      4.64419381      1.97958434      1.28213264
+O      5.31750730      2.94070624      1.60361774
+H      2.74417361     -1.57631620      0.93583522
+H      1.08085442     -0.04211819      0.11026179
+H      2.42746174     -0.42530213     -1.00600880
+H      0.59187300      2.24082824     -0.03429406
+H      1.94322878      3.51535592     -0.18084784
+H      4.27375478      2.70154956     -0.69283664
+H      4.60479373      0.94691573     -0.57272566
+H      4.40826199      1.16266620      2.00341252 
+
+15
+-1545.1316138976597 10.715494 11.55343 -9.3008 -7.1572 -9.832 0.7704 -1.0944 -0.045 9.33307 0.69978 3.6704939426 6.738825079 0.303898054
+O      3.78230063     -1.18345723      0.89752998
+C      2.84908106     -0.37349305      0.17131714
+C      3.33846512      1.08709621      0.20623152
+C      3.41475141      1.62874305      1.60971931
+C      2.83857424      2.77008297      2.00430880
+C      4.70676872      1.18436094     -0.47165820
+O      4.87579347      1.66783047     -1.57527992
+H      3.46442582     -2.10083409      0.88100807
+H      1.84293521     -0.41619277      0.62626014
+H      2.77236650     -0.70054753     -0.88155004
+H      2.64254748      1.68622843     -0.40189142
+H      3.98976840      1.03068771      2.32310221
+H      2.26161510      3.39072525      1.31399178
+H      2.92184252      3.11964689      3.03430491
+H      5.56247432      0.77604276      0.11835573 
+
+13
+-1391.3816866773154 10.666745 12.23027 -9.6989 -7.4524 -9.766 0.8882 -1.1397 -0.067 9.35013 0.71906 3.6566943008 10.0417377274 0.251327137
+O      1.01887330     -0.03183303     -0.42946689
+C      2.39502438     -0.01980302     -0.01316511
+C      2.88864516      1.35071020     -0.00244718
+C      3.34797668      2.47555527      0.01795379
+C      3.80088596      3.85682076      0.02752235
+C      2.65197065      4.84877405     -0.19164669
+O      2.60909823      5.94191620      0.33084888
+H      0.72421963     -0.95915569     -0.41313885
+H      3.02089580     -0.62272627     -0.69858552
+H      2.50615824     -0.44846639      1.00112476
+H      4.51681963      4.03216261     -0.79786968
+H      4.31657291      4.12650031      0.96137430
+H      1.85483944      4.49318500     -0.88943415 
+
+17
+-1680.542385338552 11.513263 12.69418 -9.473 -7.298 -9.301 0.9845 -0.2811 1.249 8.7654 -0.63263 6.361783653 6.361783653 0.41588404
+O      2.57039610     -0.71054180      0.48170610
+C      2.29364684      0.60283928      0.98991814
+C      2.88713143      1.62309162      0.01788125
+C      4.38414647      1.56194177     -0.06725598
+C      5.21311260      2.58643099      0.18339532
+C      6.70525250      2.50166475      0.08341414
+O      7.24147604      3.41202048     -0.89654619
+H      2.26861331     -1.35850238      1.13924192
+H      2.74031202      0.73975596      1.99206899
+H      1.20333919      0.76936524      1.07181412
+H      2.56311262      2.63054877      0.32278905
+H      2.44896341      1.42334291     -0.97603162
+H      4.80734887      0.58853101     -0.34126207
+H      4.80523102      3.56845446      0.45301895
+H      7.01342400      1.46093854     -0.12881399
+H      7.17833692      2.80403707      1.03108487
+H      6.77329668      3.23103132     -1.73152299 
+
+15
+-1553.724324677484 11.389051 12.05714 -9.4013 -7.3443 -10.095 0.0412 -1.7141 -0.738 9.45423 1.33645 3.452638142 5.3585881298 0.602554038
+O      2.57239847     -0.86018392     -1.05707510
+C      2.18983417     -0.05620959      0.06574212
+C      2.92983741      1.28021974     -0.03758937
+C      4.41336750      1.13584468      0.06427642
+C      5.20907461      1.79494026      0.92940904
+C      6.65727542      1.56643713      0.94474304
+O      7.44284094      2.12127479      1.70299121
+H      2.16509513     -1.73645634     -0.95660209
+H      2.44938930     -0.55429834      1.01781418
+H      1.10139339      0.13612700      0.06288884
+H      2.55075745      1.96427188      0.73648656
+H      2.67819713      1.71852966     -1.01999904
+H      4.87308433      0.42187960     -0.62968180
+H      4.81521848      2.51866178      1.64985321
+H      7.01734628      0.81931167      0.18855278 
+
+17
+-1681.1470777531802 11.141623 11.97072 -9.4439 -7.3025 -9.402 0.8293 -0.4181 1.281 8.78237 -0.65149 6.4719204168 6.4719204168 0.421641966
+O      2.64202426      2.68055151      1.94338363
+C      2.57975090      1.29684907      1.52490255
+C      3.13045003      1.16932222      0.10311043
+C      4.63549908      1.26543829     -0.05309005
+C      5.36805013      0.17765553     -0.33835559
+C      5.29415830      2.62465900      0.07679906
+O      5.33442119      3.13136295      1.41333301
+H      2.33093714      2.73314269      2.86325645
+H      1.52771251      0.96360962      1.53376515
+H      3.16020319      0.65994419      2.21426093
+H      2.63596813      1.93905497     -0.51558260
+H      2.79792211      0.19148309     -0.27872065
+H      4.91288044     -0.80814141     -0.46378590
+H      6.45149768      0.24041945     -0.45879032
+H      4.77764042      3.33917333     -0.59721226
+H      6.34022965      2.55528313     -0.25434290
+H      4.40165485      3.17116236      1.72405906 
+
+15
+-1552.8677887761805 10.738309 11.35967 -9.5997 -7.5015 -10.078 -0.0078 -1.8235 -0.844 9.76442 1.41809 3.4378962066 5.2866762498 0.448777146
+O      2.58189564     -1.24628213      0.89476881
+C      2.32384079     -0.24049799     -0.09519058
+C      3.35234496      0.87896579      0.08029381
+C      4.75621141      0.44514748     -0.24425982
+C      5.67776351      0.08874897      0.67085245
+C      5.15605919      0.38475964     -1.66873044
+O      4.43053928      0.68132083     -2.60884140
+H      2.01311380     -2.00962595      0.70076437
+H      1.31242030      0.18624075      0.03493261
+H      2.39299117     -0.65458582     -1.11548969
+H      3.29974398      1.24673126      1.11547592
+H      3.06713461      1.69987088     -0.59523959
+H      5.46506701      0.10093879      1.74059320
+H      6.67554095     -0.23225705      0.36012431
+H      6.20825342      0.03868456     -1.84027394 
+
+15
+-1525.6044124966381 11.141947 12.97497 -9.7035 -7.4128 -9.487 0.8797 -0.2066 2.149 9.07565 -1.68721 4.1659419986 10.0951384976 0.467765603
+O      0.91250727      0.09347120      0.03999423
+C      2.33980031     -0.01707589      0.05234123
+C      2.89635320      1.41015996     -0.00179476
+C      4.35268872      1.43360828     -0.00215327
+C      5.56962020      1.41989581      0.01087788
+C      7.02956913      1.45982727     -0.01177140
+O      7.57021619      2.78941140      0.05079841
+H      0.54080468     -0.80317026      0.08293777
+H      2.70800837     -0.58895740     -0.81824225
+H      2.69845912     -0.51718974      0.96968001
+H      2.50492838      1.97249671      0.86184225
+H      2.50421930      1.90354075     -0.90640824
+H      7.39739783      0.92734647     -0.90986420
+H      7.43902887      0.93478203      0.86522967
+H      7.08218842      3.32674340     -0.59874732 
+
+13
+-1393.5564971683418 11.008271 12.34518 -9.9404 -7.9227 -10.313 -0.1333 -1.9996 -0.758 9.83098 1.35506 3.4905530608 10.4394848154 0.698225628
+O      0.92299611      0.10597874      0.01311588
+C      2.34616921     -0.02371376      0.01478485
+C      2.91203626      1.40104393      0.00102271
+C      4.36142831      1.44004558      0.00045738
+C      5.58149749      1.48299853     -0.00018982
+C      7.01880661      1.47823486      0.00000456
+O      7.71552563      2.48581951      0.00439940
+H      0.53648149     -0.78551961      0.02338504
+H      2.70583322     -0.57120513     -0.87463963
+H      2.70528231     -0.55365704      0.91498693
+H      2.52897325      1.95060314      0.87740069
+H      2.52931325      1.93314992     -0.88625631
+H      7.47420686      0.45825134     -0.00474169 
+
+17
+-1692.3067495852897 10.789452 12.36177 -9.7243 -7.4972 -11.032 1.2644 -0.8136 -0.053 10.13954 0.67161 3.6799912702 12.0545016542 0.209838097
+O      0.86699950      0.17658019      0.05737399
+C      2.29462671      0.05385612     -0.01292240
+C      2.89317380      1.45202407      0.03780220
+C      4.42144335      1.43624482     -0.04119021
+C      5.02595890      2.83629838     -0.00135872
+C      6.53086050      2.89024519     -0.07490360
+O      7.26530814      1.92289506     -0.16019906
+H      0.48706146     -0.71729549      0.02929636
+H      2.60050165     -0.44942177     -0.95036672
+H      2.67998368     -0.54905937      0.83182110
+H      2.56190955      1.94098223      0.96929852
+H      2.47253565      2.04140130     -0.79424686
+H      4.75004594      0.93213257     -0.96443769
+H      4.84047359      0.84275227      0.78743521
+H      4.73233271      3.38181609      0.91595358
+H      4.64438762      3.46884187     -0.82573552
+H      6.95815724      3.92750646     -0.04461018 
+
+11
+-1253.8936825283492 9.748904 10.50771 -9.9235 -7.7691 -10.604 0.3195 -1.7224 -0.713 10.49809 1.32286 3.5959411608 10.9652846442 0.367732234
+O      1.43526781     -0.54902289      0.71260154
+C      2.33959653     -0.20068286     -0.01160537
+C      3.02715832      1.18342929      0.08432584
+C      2.62312360      1.89672066      1.39046722
+O      1.92786785      2.88609316      1.41432400
+C      4.46984532      1.03511590     -0.01024696
+C      5.67270930      0.87216413     -0.02906207
+H      2.75335074     -0.85456327     -0.81653831
+H      2.63963394      1.78422162     -0.75953269
+H      3.03367726      1.42787817      2.31540109
+H      6.73631934      0.74781608     -0.06366429 
+
+11
+-1259.4175740350188 10.028454 10.63373 -9.9132 -7.85 -11.055 -0.7201 -2.5193 -1.172 10.14559 1.75474 3.5384860484 10.8399223996 0.256852468
+O      1.53388849      0.68934722     -1.57553846
+C      2.17203677      0.10508360     -0.72683517
+C      2.94900460      0.81800985      0.38003291
+C      4.28158841      0.12660531      0.62827267
+O      4.34025752     -1.05465919      0.95519106
+C      5.46877953      0.92621417      0.41667670
+C      6.45931644      1.61172495      0.25144807
+H      2.23158097     -1.00883707     -0.68488607
+H      2.35193204      0.68870507      1.29894799
+H      3.03927818      1.88553553      0.14810591
+H      7.34357704      2.20050056      0.10701439 
+
+15
+-1548.4840071276922 10.828004 11.73293 -9.5378 -7.3333 -10.128 0.9696 -0.9792 0.009 9.98887 0.62598 3.6639970762 6.7244551016 0.475698389
+O      0.96950189     -0.06070294      0.15146874
+C      2.39827553      0.04522739     -0.02560591
+C      2.72939590     -0.68779314     -1.33674715
+C      2.36123618     -2.15518914     -1.29716468
+O      3.14509010     -3.05730629     -1.53474737
+C      2.82509790      1.48547593     -0.07226847
+C      3.68541539      2.04002284      0.78894244
+H      0.74145611      0.43850784      0.95529364
+H      2.92359343     -0.45944714      0.80889709
+H      3.79876803     -0.59443353     -1.56760604
+H      2.14400393     -0.21284482     -2.14437987
+H      1.29846797     -2.37230036     -1.02992282
+H      2.36234488      2.08617666     -0.86360163
+H      4.15172904      1.45211467      1.58412058
+H      3.96081373      3.09362202      0.72520146 
+
+13
+-1389.0432158210338 10.279934 11.42118 -9.7149 -7.4995 -10.328 0.8918 -1.1179 -0.067 10.05547 0.71047 3.6498502736 10.4738165388 0.295293996
+O      1.04481619     -0.05146336      0.44884391
+C      2.41891826      0.02130296      0.02504804
+C      2.49558216     -0.64295536     -1.36228183
+C      2.08363722     -2.10048990     -1.34116809
+O      2.70809284     -2.98311971     -1.90125127
+C      2.91088817      1.39918101     -0.01153583
+C      3.30354194      2.54775213     -0.00993470
+H      0.95493586      0.48789799      1.25390506
+H      3.05900441     -0.55036840      0.72678286
+H      3.50811885     -0.56085890     -1.77755297
+H      1.79768887     -0.10282819     -2.02501183
+H      1.14476130     -2.32507139     -0.77956813
+H      3.64957394      3.56163112     -0.02006521 
+
+15
+-1532.7925284399696 12.030564 12.58823 -8.2245 -6.1695 -8.777 0.8622 -0.1632 1.195 8.34749 -0.69678 5.8261517344 5.8261517344 0.571598264
+O      5.03006303     -0.94973537     -0.58216988
+C      3.65978288     -1.23820574     -0.28683779
+C      2.87657393      0.03077845     -0.17608366
+C      3.41252511      1.24433071     -0.33844317
+O      2.64124981      2.38082807     -0.22270989
+C      3.27054529      3.58801684     -0.40061540
+C      2.60893935      4.74577128     -0.31366173
+H      5.50300635     -1.79427630     -0.64884772
+H      3.57553447     -1.80410402      0.66306471
+H      3.21520554     -1.87535511     -1.07804623
+H      1.81259933     -0.06415844      0.05113905
+H      4.46934123      1.39957571     -0.56634190
+H      4.34204276      3.52518796     -0.61564746
+H      1.54172617      4.77905035     -0.09828672
+H      3.14740475      5.67852562     -0.46094221 
+
+15
+-1534.2851155700585 11.395927 12.02128 -8.6855 -6.6091 -9.034 0.8938 -0.1519 1.084 8.5136 -0.61523 6.0034393158 6.0034393158 0.403114971
+O     -0.22315634     -0.48581743     -0.47657236
+C      1.12868235     -0.33617103     -0.05333050
+C      1.61311774      1.05217006     -0.37394909
+C      0.87019151      2.03835120     -0.88814661
+O      2.96259526      1.12949366     -0.06770367
+C      3.50303133      2.37705275      0.15767460
+C      4.79662810      2.62515449     -0.05952634
+H     -0.50411173     -1.38592267     -0.24687077
+H      1.80056911     -1.05596520     -0.55899320
+H      1.23539715     -0.49920765      1.03667193
+H     -0.18294694      1.84857068     -1.07908061
+H      1.28914511      3.00778903     -1.14958718
+H      2.80092236      3.10817012      0.56967712
+H      5.45821152      1.87206988     -0.48621640
+H      5.20673349      3.59671212      0.20702307 
+
+13
+-1387.538659466061 10.153848 11.17482 -9.6895 -7.5113 -10.173 0.745 -1.2031 -0.059 10.01349 0.73109 3.6831405146 10.756901374 0.584041764
+O      2.65983704     -0.59866777      1.30190538
+C      2.31313173     -0.00684538      0.04971143
+C      2.93896288      1.40399935     -0.00012867
+C      2.38368143      2.23125889      1.18098991
+O      1.30772277      2.78815115      1.13095764
+C      4.39516589      1.39347061     -0.00365338
+C      5.60762531      1.43286418      0.02606339
+H      2.28189145     -1.49289657      1.33019039
+H      1.21984972      0.10979341     -0.05511729
+H      2.69660067     -0.59615104     -0.80125073
+H      2.56040355      1.88521611     -0.91793544
+H      3.03683700      2.27321895      2.08318498
+H      6.67823056      1.45321811      0.04146237 
+
+17
+-1679.1561577257453 11.193501 12.16275 -9.5505 -7.3206 -9.735 0.921 -0.3186 1.118 9.19009 -0.55511 6.6654377656 6.6654377656 0.462824551
+O      0.82987242      0.17413021      0.00991431
+C      2.24185856     -0.09430611      0.15708260
+C      2.98437871      1.22833021      0.38760281
+C      2.43977313      1.98293400      1.62354554
+O      1.14231639      2.53451070      1.43019233
+C      4.45396651      0.94818235      0.55143153
+C      5.41762186      1.38504712     -0.26721799
+H      0.36106028     -0.67456530     -0.04655054
+H      2.63338514     -0.58731586     -0.74975121
+H      2.41473169     -0.76585082      1.01970190
+H      2.83065921      1.87410768     -0.49384756
+H      3.10629750      2.82851102      1.85066709
+H      2.46315354      1.29934223      2.49912026
+H      0.60374987      1.81795881      1.03745998
+H      4.73419937      0.34728658      1.42611216
+H      5.18851030      1.98902371     -1.14890762
+H      6.46834552      1.15844349     -0.08015559 
+
+15
+-1521.436428696454 10.567649 11.6909 -9.8862 -7.624 -9.869 0.8295 -0.2332 2.254 9.43993 -1.84257 4.3502843834 10.824721716 0.365742273
+O      2.66910297     -0.86497928      0.80845276
+C      2.33270723     -0.00590046     -0.28336452
+C      2.90181144      1.39525693     -0.01341085
+C      2.35615880      1.99760264      1.30542267
+O      2.77360073      3.34473357      1.49792482
+C      4.36341980      1.42326390     -0.00909803
+C      5.57431737      1.50703426      0.03593504
+H      2.44902795     -1.77577530      0.55483780
+H      1.23469478      0.08482865     -0.39260976
+H      2.74447007     -0.38435076     -1.23498652
+H      2.55216043      2.04527964     -0.83617654
+H      2.65322791      1.35086747      2.14740135
+H      1.25706213      2.02150296      1.25668966
+H      3.74958385      3.33759864      1.51869532
+H      6.64405456      1.55126716      0.06182679 
+
+15
+-1554.3752517546302 10.693478 11.64953 -9.4352 -7.4868 -10.644 -0.1012 -1.8967 -0.813 9.508 1.37523 3.4320068716 5.7444325618 0.498410274
+O      0.59449401      0.15247602      0.90618173
+C      1.86674408     -0.36272471      0.48436691
+C      2.76565376      0.83704041      0.23313524
+C      4.16105633      0.44995872     -0.22762687
+O      4.48720271     -0.72736595     -0.37568866
+C      5.15465547      1.52222324     -0.50630514
+C      4.93553306      2.84036148     -0.38391621
+H      0.00768517     -0.60446541      1.06956799
+H      1.77312642     -0.96097240     -0.43807543
+H      2.31432810     -1.01151964      1.25669422
+H      2.83950203      1.44201921      1.15229176
+H      2.30218338      1.49352377     -0.52234480
+H      6.12576355      1.14126608     -0.83431687
+H      3.97440578      3.24225674     -0.05783452
+H      5.71863616      3.56621245     -0.60767937 
+
+13
+-1392.9675764893545 10.312124 11.53094 -9.9165 -7.9828 -10.812 -0.1012 -1.9617 -0.657 9.78809 1.276 3.5739460444 10.7035006038 0.324084178
+O      1.08494799      0.02716847     -0.69613997
+C      2.35702861     -0.21405685     -0.07880445
+C      3.16213139      1.06768865     -0.21939888
+C      4.54558307      0.97824398      0.38773758
+O      4.98106829     -0.02479477      0.94406633
+C      5.35686471      2.18124803      0.27331771
+C      6.03218652      3.18732639      0.17652925
+H      0.55683788     -0.78451769     -0.61469679
+H      2.89179036     -1.04708808     -0.56712597
+H      2.24595498     -0.47089906      0.98889423
+H      2.62917964      1.91264643      0.24974122
+H      3.26442691      1.34576834     -1.28248574
+H      6.63936964      4.06728615      0.09861548 
+
+17
+-1679.4985108484784 11.18492 12.40558 -9.8374 -7.5883 -9.698 1.2241 -0.0898 1.186 9.17312 -0.62473 6.6802044982 6.6802044982 0.476380329
+O      0.86192937      0.55204462     -0.59771586
+C      2.23349437      0.36372056     -0.21713825
+C      2.96310208      1.67760962     -0.45487056
+C      4.45677943      1.60601006     -0.09620677
+O      5.14519268      0.60944014     -0.86212687
+C      5.10207513      2.96832306     -0.17899551
+C      6.26248317      3.23496563     -0.78700780
+H      0.41014451     -0.30456314     -0.51845309
+H      2.70581719     -0.43959037     -0.80794769
+H      2.30981794      0.08609128      0.85246346
+H      2.48073238      2.46737319      0.14382837
+H      2.85291905      1.97121505     -1.51295010
+H      4.54462081      1.24909201      0.94778447
+H      5.15622844      0.92068697     -1.78708600
+H      4.54379954      3.77702314      0.30511299
+H      6.85357469      2.44504235     -1.25491844
+H      6.66409921      4.24804583     -0.81774236 
+
+15
+-1520.757813078294 10.644047 11.83042 -10.2672 -7.9652 -10.087 1.0087 -0.1664 1.978 9.68612 -1.5963 4.3675184374 10.5174472122 0.244047801
+O      0.92328827     -0.02818374      0.03919090
+C      2.35317419     -0.13550513      0.07596230
+C      2.91612017      1.27912022      0.05102119
+C      4.45450630      1.32962592      0.02417201
+O      4.93386393      2.66905283     -0.18920240
+C      5.04939591      0.73474643      1.22590518
+C      5.52517091      0.28130243      2.24716019
+H      0.55441036     -0.92475689      0.10483829
+H      2.72695066     -0.70313739     -0.79874777
+H      2.68919248     -0.65986112      0.98838521
+H      2.54732889      1.82993848      0.93108869
+H      2.55441721      1.80079455     -0.84732059
+H      4.81459539      0.76989097     -0.85670463
+H      4.80474384      3.15755350      0.64449573
+H      5.95951149     -0.12324106      3.13880570 
+
+17
+-1676.069743904863 11.230108 12.36969 -8.7767 -6.6245 -9.414 0.8495 -0.1797 1.264 8.94915 -0.78181 6.409766235 6.409766235 0.351576544
+O      2.47629876     -1.04405971      1.21053402
+C      1.46997157     -0.04740172      1.44839132
+C      1.59026713      1.02428918      0.37585724
+C      2.92240668      1.75713608      0.42842734
+O      2.89244017      2.79407949     -0.56826458
+C      4.01343326      3.56087004     -0.67204819
+C      5.15105854      3.47688875      0.03604260
+H      2.38464630     -1.73300290      1.88925584
+H      1.59865315      0.40465413      2.45116870
+H      0.45899420     -0.49164093      1.40653881
+H      0.77259640      1.74987311      0.50953757
+H      1.46308114      0.56338468     -0.61586994
+H      3.76026136      1.07086731      0.22461653
+H      3.08246113      2.21444467      1.42259293
+H      3.87398532      4.31130572     -1.45368524
+H      5.32353311      2.73997254      0.81781220
+H      5.95102178      4.18070955     -0.18404716 
+
+17
+-1667.5410953072715 10.715271 12.28314 -9.4434 -7.2826 -11.161 1.0281 -0.0309 3.187 10.65318 -2.95908 8.9514420392 11.624679388 0.290376198
+O      0.56187083      0.77647175      0.56058114
+C      1.46568845      1.31040007     -0.41382367
+C      2.58011358      2.00659428      0.35170823
+O      3.49373973      2.54000050     -0.60955561
+C      4.57445572      3.20316676     -0.00172478
+C      5.22756143      4.28016639     -0.80627998
+C      4.41086321      4.64367503      0.42346488
+H     -0.15761132      0.32834309      0.08675896
+H      0.96647368      2.04211936     -1.07467731
+H      1.90005653      0.51520225     -1.04614046
+H      3.08816894      1.28041731      1.01460158
+H      2.16042021      2.81032975      0.98448719
+H      5.20927318      2.55514286      0.61636655
+H      4.77809530      4.49468483     -1.77589670
+H      6.31315418      4.36957802     -0.76690199
+H      4.92829177      4.98836069      1.31941221
+H      3.43525458      5.09685706      0.24469974 
+
+15
+-1535.3598707274562 10.199727 11.55124 -9.8687 -7.6138 -10.972 0.9842 -1.1104 -0.04 10.14256 0.6524 3.6637491042 11.621889703 0.24454224
+O      1.10733883      1.53451324     -2.30524286
+C      1.90720131      2.35776095     -1.90743663
+C      3.18413415      1.99513970     -1.17535627
+O      3.87439641      3.19583695     -0.85439628
+C      5.10771230      2.95150494     -0.21789379
+C      6.32005407      2.64371069     -1.06415397
+C      6.15798090      3.99854940     -0.39380349
+H      1.75880515      3.45780904     -2.05664859
+H      3.79053281      1.33177214     -1.82257648
+H      2.91985097      1.41602656     -0.26791237
+H      5.01674806      2.45537874      0.75643310
+H      6.17019108      2.61390394     -2.14393092
+H      7.06469218      1.94751614     -0.67738547
+H      6.78844851      4.24669370      0.45941883
+H      5.89658329      4.83742386     -1.03861484 
+
+13
+-1418.484043114572 9.711188 10.592 -9.5774 -7.4861 -10.94 -0.8154 -2.7968 -1.845 10.17781 2.14067 2.7183186584 7.722220038 0.2609471
+O      2.08117303      1.94735496      1.55420466
+C      1.89522349      1.29539049      0.54626370
+C      3.01831785      0.79182613     -0.38019794
+O      2.68410119      0.13182172     -1.36133568
+C      4.40192346      1.14187785     -0.01530765
+C      5.49862297      0.13164253     -0.36252355
+C      5.39081849      1.37891780     -1.16055555
+H      0.87942565      0.99238756      0.19062914
+H      4.51336398      1.73297047      0.89290431
+H      5.14778836     -0.79266438     -0.82286000
+H      6.30394740      0.03279461      0.36461577
+H      6.11846615      2.17477607     -1.00554586
+H      4.96611799      1.30052418     -2.16194135 
+
+15
+-1549.1800037870933 10.075582 11.23119 -10.0813 -7.8772 -11.079 0.6604 -1.3099 -0.297 10.28218 0.93709 3.6911376116 12.0954294328 0.142803517
+O      2.42312842     -0.43441309     -0.35019799
+C      2.22072249      0.86144550     -0.87106590
+C      0.74563799      1.10371007     -1.12764356
+O     -0.09495123      0.24925170     -0.89830118
+C      2.77775912      1.94334266      0.03816005
+C      4.25174457      2.26194538     -0.01170788
+C      3.25174800      3.25447557     -0.55145201
+H      1.52761303     -0.84026762     -0.32575544
+H      2.72133756      0.96354737     -1.86140260
+H      0.46893708      2.10640339     -1.52904160
+H      2.30309699      1.98327845      1.02168083
+H      4.86013091      1.70685783     -0.72698728
+H      4.75113165      2.48888227      0.92981869
+H      3.06143463      4.16540020      0.01563482
+H      3.19730881      3.37984032     -1.63440894 
+
+15
+-1558.2199621704422 10.13288 11.27194 -9.89 -7.904 -10.822 0.782 -0.9248 0.006 9.77511 0.71923 3.8401067906 12.092540559 0.22840275
+O      0.78533232      0.86254659      0.74205250
+C      2.15034836      0.96878414      1.05537339
+C      2.96524980      1.40610354     -0.15074636
+O      2.38217110      1.60921193     -1.21654713
+C      4.42638646      1.56606947      0.02555963
+C      5.32600097      1.23693305     -1.16457610
+C      5.12135056      2.66111032     -0.78233779
+H      0.74086218      1.11298945     -0.21028756
+H      2.55642798      0.00131833      1.41344014
+H      2.31971233      1.70118720      1.87029219
+H      4.81662456      1.35424370      1.02258863
+H      4.80816399      0.87523826     -2.05313067
+H      6.27779298      0.75910294     -0.93440335
+H      5.92743245      3.19593990     -0.28102923
+H      4.46416397      3.26087118     -1.41227828 
+
+17
+-1679.3235646404903 10.515518 11.91662 -9.8348 -7.6427 -11.544 0.8589 -0.2076 2.845 11.21198 -2.52258 9.3905260596 11.8440478178 0.16255778
+O      2.60404652     -1.09129756      0.36559947
+C      2.44075675      0.07501386     -0.46509629
+C      3.05653651      1.25257164      0.29228225
+O      2.40356280      1.40666508      1.56001406
+C      4.56237924      1.12662829      0.42761959
+C      5.45529358      1.70270478     -0.64927697
+C      5.37978807      2.35946365      0.70986221
+H      2.01764722     -1.78797852      0.03108259
+H      1.37059767      0.28050856     -0.63812381
+H      2.94882674     -0.05791522     -1.43695801
+H      2.82932435      2.17315827     -0.27456255
+H      2.37113381      0.50936672      1.94475091
+H      4.89686625      0.19484742      0.89061083
+H      4.97777125      2.21535166     -1.48702879
+H      6.36121470      1.15695326     -0.91462002
+H      6.23720244      2.26827835      1.37686700
+H      4.84349209      3.30643976      0.79100753 
+
+11
+-1257.6518759202793 9.728812 10.64298 -9.8754 -7.682 -10.262 -1.0263 -3.1261 -2.035 9.87262 2.3394 2.698493297 10.8428732664 0.641068453
+O      3.05342652     -1.27009014      0.02205615
+C      2.35594892     -0.28000608     -0.06361554
+C      2.90962046      1.15774760     -0.08802626
+O      2.12071491      2.07925896     -0.17606492
+C      4.42674609      1.28112076      0.00153666
+C      4.92870916      2.63993063      0.00040215
+C      5.34193033      3.77926299     -0.00097238
+H      1.24123630     -0.31398216     -0.13320747
+H      4.84959502      0.69330689     -0.83301874
+H      4.74698903      0.73083618      0.90411735
+H      5.70080327      4.78814438     -0.00279699 
+
+13
+-1376.3010791924362 10.359549 11.48091 -9.8388 -7.5876 -10.187 0.6578 -1.401 -0.265 10.35096 0.87528 3.6633399504 10.8501140488 0.477009435
+O      0.98865990      2.60632944      0.92338037
+C      2.06970186      2.06324022      1.03337988
+C      2.84064674      1.45811349     -0.13376169
+O      4.20873374      1.22417861      0.16368739
+C      4.96874861      2.44411552      0.12091376
+C      6.35624687      2.17817747      0.46379544
+C      7.52067304      1.99347749      0.74528199
+H      2.57234122      1.93162677      2.02815748
+H      2.69659109      2.08036804     -1.03707096
+H      2.39491005      0.46969519     -0.33760178
+H      4.55211588      3.19093398      0.82567488
+H      4.90989215      2.88565407     -0.89392385
+H      8.54799887      1.82098971      0.99462707 
+
+15
+-1555.6628441785895 10.638699 11.48963 -9.7607 -7.6365 -9.949 0.5538 -1.2062 -0.185 9.80413 0.89214 3.7619708134 6.7765044244 0.290581449
+O      0.50657020      1.31804592     -0.19973138
+C      1.83759999      1.40855537     -0.63731860
+C      2.77210547      1.82764318      0.47906820
+O      2.32000917      2.01714287      1.60223176
+C      4.24370368      2.02776890      0.14342346
+C      4.58286212      3.49691916      0.14157770
+C      5.07318172      4.15886325     -0.91125211
+H      0.54930691      1.54985040      0.75654432
+H      1.94278759      2.14037599     -1.46331516
+H      2.19721249      0.43722225     -1.03410195
+H      4.48562303      1.57528858     -0.82994028
+H      4.82255730      1.51185454      0.92694727
+H      4.38809135      4.02313574      1.08090964
+H      5.27440248      3.65918071     -1.86219044
+H      5.29809648      5.22438314     -0.85323243 
+
+13
+-1398.465433808238 10.047713 11.01363 -10.0722 -7.9025 -10.382 0.576 -1.2191 -0.159 9.98834 0.92273 3.7612764918 10.6699499922 0.552679621
+O      1.35954633     -0.68095193     -0.84990184
+C      2.70671967     -0.32858825     -0.67045784
+C      2.84763108      1.06822347     -0.11328050
+O      1.84893669      1.73527321      0.12144132
+C      4.24429036      1.64286589      0.15542149
+C      5.37483335      0.77706616     -0.14092904
+C      6.31830759      0.05483701     -0.38574932
+H      0.85258939      0.10837585     -0.55358253
+H      3.27193012     -0.37755965     -1.62255179
+H      3.22315219     -1.02642974      0.01838469
+H      4.25723407      1.94828586      1.21493589
+H      4.31223824      2.58018970     -0.42174545
+H      7.15214090     -0.58120759     -0.60390509 
+
+17
+-1681.1987010592984 11.217988 12.34465 -9.4237 -7.1777 -9.47 0.8042 -0.2837 1.396 8.9368 -0.84371 6.6694177162 6.6694177162 0.468398544
+O      2.58524259     -0.90919125      0.85213694
+C      2.28381955     -0.00629901     -0.22872458
+C      2.90632511      1.34315566      0.12350344
+O      2.37004617      1.81770241      1.36407755
+C      4.44862155      1.28596453      0.15190861
+C      5.07393053      2.62549887      0.40331277
+C      6.00124005      3.19496965     -0.37548522
+H      1.99053773     -1.67314106      0.78851611
+H      1.19334137      0.12332520     -0.33438690
+H      2.69564788     -0.38170371     -1.18337037
+H      2.58947062      2.07374008     -0.63951108
+H      2.40718282      1.05174801      1.97017302
+H      4.81517679      0.87251422     -0.80257727
+H      4.74172529      0.57537916      0.94472307
+H      4.71589772      3.15467453      1.29248691
+H      6.37943797      2.69640187     -1.27251139
+H      6.41885626      4.17557086     -0.14207159 
+
+15
+-1526.1032538695756 10.576605 11.69429 -9.7856 -7.5419 -9.932 0.8064 -0.2942 2.158 9.53875 -1.79181 4.3549214598 10.5439802162 0.448028939
+O      2.66156217     -1.13913873      0.43999030
+C      2.39709431      0.01374160     -0.38331137
+C      2.98673445      1.21446929      0.35092318
+O      2.45381104      1.30103307      1.67038558
+C      4.53837344      1.17601285      0.39870294
+C      5.15570734      1.31007733     -0.91254900
+C      5.62965058      1.42822258     -2.02474874
+H      2.16576263     -1.89258021      0.08290704
+H      1.31093574      0.16577734     -0.50199730
+H      2.86487024     -0.08859710     -1.37729126
+H      2.67701865      2.13052768     -0.17670658
+H      2.43152941      0.38266564      2.00505644
+H      4.85609949      0.23150491      0.86963113
+H      4.86829721      1.99442086      1.05682709
+H      6.06689329      1.53412289     -2.99640945 
+
+17
+-1668.7548280112173 11.451924 12.83518 -9.6981 -7.464 -9.739 1.4513 -0.1453 1.277 9.21894 -0.73248 6.7755001378 6.7755001378 0.454197771
+O      0.36343613      0.50020123     -1.30126562
+C      1.22328127      0.99120032     -0.26619700
+C      2.27205457      1.86255706     -0.94073568
+O      3.14005745      2.35906927      0.07118261
+C      4.16643207      3.19419444     -0.46881320
+C      5.09672143      3.60195292      0.63026975
+C      5.45925680      4.86412829      0.87810550
+H     -0.32025478     -0.05021114     -0.88611643
+H      1.72603324      0.16696973      0.27110162
+H      0.66800219      1.59701766      0.47206626
+H      1.77495915      2.69266209     -1.48003315
+H      2.83325218      1.26393133     -1.68534181
+H      3.72679534      4.08538526     -0.95917538
+H      4.72679534      2.63023757     -1.24499860
+H      5.50067282      2.78252021      1.23344456
+H      5.05931618      5.69694353      0.29397699
+H      6.17197862      5.10884023      1.66675958 
+
+15
+-1509.9249134107974 10.940268 12.4875 -9.9629 -7.6206 -9.919 1.0839 -0.0985 2.263 9.81051 -1.85847 4.4152282502 11.023099316 0.395803768
+O      0.87746555     -0.03267012      0.02372686
+C      2.30826853     -0.09126599      0.00566977
+C      2.80469671      1.34635613     -0.00432022
+O      4.22943706      1.30869959     -0.02283246
+C      4.78020112      2.62614412     -0.03370417
+C      6.23484869      2.56533370     -0.05433591
+C      7.44714537      2.55471599     -0.07101146
+H      0.54136109     -0.94369784      0.03053023
+H      2.68466261     -0.61159121     -0.89302378
+H      2.70743721     -0.60707566      0.89710689
+H      2.43381469      1.87645396      0.89472277
+H      2.41052580      1.87198444     -0.89604993
+H      4.44651597      3.18979393      0.86157577
+H      4.42108939      3.18556716     -0.92177854
+H      8.51783022      2.53665181     -0.08575583 
+
+15
+-1562.995162955648 9.989252 11.06848 -10.4481 -8.2416 -11.783 1.8182 -0.1795 -0.116 10.7467 0.65053 4.3774125202 10.3962013028 0.129523556
+O      2.10483024      0.09645826     -0.81219108
+C      1.95780681      0.95038441      0.03637251
+O      2.93756110      1.64655131      0.65919428
+C      4.29718436      1.32742760      0.25797337
+C      5.35268646      2.31464736      0.77914230
+C      6.28087745      1.08901051      1.02002047
+C      5.01840670      0.18090106      0.99686602
+H      0.98032156      1.29209844      0.43119821
+H      4.31827811      1.19484927     -0.83240564
+H      5.02343286      2.75600878      1.73053011
+H      5.68809228      3.11214097      0.10358840
+H      6.93782417      0.89755943      0.16056036
+H      6.88584489      1.08875058      1.93501098
+H      5.06843333     -0.79328299      0.49539416
+H      4.59993967      0.05543503      2.00581556 
+
+15
+-1571.0134620088113 9.848799 10.95743 -10.0116 -7.9309 -11.297 0.7236 -0.4651 0.123 10.28031 0.51861 4.3265038686 7.7747405076 0.139574453
+O      0.95610873      0.07917226     -0.48282668
+C      2.05053944      0.11496049      0.35127159
+O      2.19266031     -0.74287881      1.19308798
+C      2.99638569      1.27220874      0.11541309
+C      2.43872017      2.73306244      0.18430650
+C      3.73529325      3.13519461      0.93899080
+C      4.00261565      1.63450470      1.23490686
+H      0.98186788      0.85686470     -1.07349518
+H      3.51116886      1.10078955     -0.84527909
+H      1.55230884      2.79266790      0.83227628
+H      2.22333605      3.24399661     -0.76465544
+H      4.48400359      3.55935147      0.25551138
+H      3.62280856      3.80748743      1.79913718
+H      5.02936250      1.26377614      1.12623040
+H      3.61573047      1.31892176      2.21331435 
+
+15
+-1559.3496686111591 10.025298 11.15406 -10.4258 -8.2083 -11.72 1.8797 -0.1402 -0.151 10.78488 0.67294 4.380611359 11.8590377252 0.242573407
+O      4.12939212      1.74963405      2.69369259
+C      3.21796539      2.21420570      2.04095842
+O      3.24847462      2.54621735      0.73236409
+C      4.52734538      2.31379214      0.04664133
+C      5.49917091      3.43754840      0.26031173
+C      6.44701291      3.79315121     -0.86549502
+C      5.32519083      4.73181998     -0.49933467
+H      2.20499984      2.43263449      2.43332400
+H      4.24462254      2.22961247     -1.01147125
+H      4.93567627      1.35665168      0.39967902
+H      5.89978632      3.50723913      1.27310809
+H      6.36007969      3.23488200     -1.79918405
+H      7.46711438      4.06821520     -0.59860812
+H      5.57309995      5.66019131      0.01493317
+H      4.47786885      4.80455490     -1.18273935 
+
+15
+-1570.7803212173835 9.922616 11.15568 -9.9198 -7.8071 -11.254 0.8974 -0.2283 0.119 10.29109 0.50146 4.2998220814 11.8236273236 0.245883013
+O      2.34258534      1.67156418     -0.43700766
+C      2.58646148      0.99655678     -1.60093145
+O      1.69806120      0.79626141     -2.39847034
+C      4.02114617      0.49791777     -1.78617948
+C      5.09105982      1.26489350     -1.03921214
+C      5.35981562      0.98628899      0.43723249
+C      6.36194610      0.57670945     -0.61525354
+H      3.19085055      1.73121132      0.05287533
+H      4.21603165      0.49022705     -2.86801487
+H      4.02410704     -0.55877454     -1.46819815
+H      5.20353764      2.30814153     -1.34770211
+H      4.79248019      0.18860824      0.92131853
+H      5.61434543      1.82390254      1.08765771
+H      7.29506143      1.13556855     -0.68061982
+H      6.45278035     -0.48783677     -0.83479451 
+
+11
+-1263.7078282172777 11.399864 11.26146 -9.0373 -7.0068 -8.877 0.1802 -1.5664 -0.426 10.87412 1.01879 4.072072198 5.9121856198 0.383709263
+O      2.65280113     -1.03851475      0.82147229
+C      2.15888781      0.03140494      0.56364106
+O      2.84322576      1.19396473      0.28181976
+C      4.22508647      1.13477172      0.29724432
+C      4.92358511      2.24997425      0.01262392
+C      6.33513050      2.29067214      0.00319602
+C      7.54963384      2.37264553     -0.01658714
+H      1.07926498      0.25905848      0.50958594
+H      4.65646094      0.16560113      0.54417458
+H      4.38067292      3.16972155     -0.22309714
+H      8.61828054      2.43575029     -0.03173361 
+
+13
+-1403.8379455431593 10.022611 11.01456 -10.3152 -7.8904 -9.982 1.674 -0.3566 -0.246 9.5784 0.76504 4.37918552 10.7023847298 0.693303336
+O      4.09738474      2.19941506     -2.87985092
+C      3.26870596      2.68022831     -2.13610059
+O      3.33424213      2.73353476     -0.78488467
+C      4.52577497      2.15015757     -0.18804570
+C      5.69950117      3.13622999     -0.16991060
+C      5.45828656      4.32978918      0.63071513
+C      5.25686648      5.31769333      1.30554414
+H      2.31869135      3.14954421     -2.45707127
+H      4.80503069      1.25173458     -0.75424437
+H      4.21974553      1.88232054      0.83005297
+H      5.95215317      3.41439068     -1.20502757
+H      6.57525685      2.59603016      0.22843843
+H      5.07483040      6.19153163      1.89705501 
+
+13
+-1434.4866356802013 12.009845 11.56253 -9.3892 -7.4556 -9.357 -0.6723 -2.2962 -1.161 8.8415 1.72153 4.0683402194 4.5569690454 0.79283028
+O      1.97412874     -1.23203596      0.48143446
+C      2.88505771     -0.45764339     -0.20257163
+O      3.55300836     -0.95936862     -1.08453060
+C      2.95936343      0.96160563      0.22112740
+C      3.82329092      1.81618410     -0.37259901
+C      3.96083112      3.21304112     -0.03035196
+C      4.83047628      4.03973006     -0.64452056
+H      1.52421541     -0.68545386      1.15295839
+H      2.30337284      1.31641329      1.02318595
+H      4.45855817      1.41464936     -1.16965957
+H      3.31878169      3.60052365      0.76757040
+H      5.48252172      3.68012400     -1.44331708
+H      4.91267361      5.09048062     -0.36701619 
+
+11
+-1272.5596160129028 11.206043 11.20129 -9.8864 -7.895 -9.654 -0.8418 -2.5493 -1.206 9.23812 1.65297 3.8425493148 5.394754846 0.312234455
+O      3.09307607     -1.25693843      0.37908416
+C      2.39818840     -0.13260936      0.01017865
+O      1.24807454     -0.22459910     -0.36844634
+C      3.10474192      1.17119412      0.07697020
+C      4.44461668      1.33562033     -0.02537625
+C      5.09559021      2.58896518     -0.03511007
+C      5.69622131      3.64752277     -0.04630205
+H      3.94005239     -0.99626012      0.78832873
+H      2.44320487      2.03699856      0.12257686
+H      5.10061949      0.46457206     -0.14367399
+H      6.21198413      4.58640399     -0.05453992 
+
+13
+-1428.66843514534 10.568047 10.88554 -9.9259 -7.8394 -9.74 -0.2304 -1.9056 -0.728 9.29433 1.34658 4.0893558464 5.872782869 0.347443711
+O      2.68738688     -0.89168014      0.15171446
+C      2.04105486      0.31498142      0.21779805
+O      0.83512631      0.35380000      0.33039402
+C      2.94242099      1.52749273      0.15735377
+C      2.44189564      2.70390679      0.57594875
+C      4.31765586      1.36213531     -0.35622076
+C      5.42350108      1.83197681      0.24267185
+H      3.65357808     -0.73156549      0.14381979
+H      1.41826980      2.75503930      0.94799958
+H      3.03418147      3.61773118      0.53279980
+H      4.42058754      0.81460287     -1.30145702
+H      5.37181936      2.35723497      1.19863393
+H      6.40864214      1.70001427     -0.20611623 
+
+11
+-1269.311185320882 10.374484 10.68061 -9.9 -7.7931 -9.518 -0.4953 -2.1935 -0.845 9.10904 1.32918 4.0158073512 6.2731460616 0.234340959
+O      1.21087858     -0.08719379     -0.77975390
+C      2.36443305     -0.04449301     -0.04544499
+O      2.76279935     -1.01869139      0.54684381
+C      3.06799951      1.30158259     -0.01302335
+C      2.36515006      2.45393562      0.07292326
+C      4.48786356      1.26280134      0.01469267
+C      5.70176127      1.20746879      0.01603585
+H      1.12254789      0.74953196     -1.27636156
+H      1.27466283      2.45541457      0.10051502
+H      2.87161494      3.41360221      0.16922884
+H      6.77165897      1.15910109      0.02298436 
+
+11
+-1273.5047974766558 11.503186 11.73355 -9.9197 -7.9046 -9.655 -0.7388 -2.4334 -1.124 9.1967 1.67443 3.3592394882 11.3605644108 0.725729957
+O      0.97996574     -0.02260240      0.00000000
+C      2.35139461     -0.07090024      0.00000000
+O      2.93751750     -1.13297939      0.00000000
+C      3.00153610      1.21706074      0.00000000
+C      3.58300531      2.29242469      0.00000000
+C      4.32159703      3.49859060      0.00000000
+C      3.76541754      4.72597881      0.00000000
+H      0.70366436      0.91523480      0.00000000
+H      5.41115799      3.39368542      0.00000000
+H      2.68337266      4.86092827      0.00000000
+H      4.38940116      5.61919869      0.00000000 
+
+9
+-1116.2290243597383 11.403964 11.51716 -10.1379 -8.1003 -9.701 -0.8287 -2.5936 -1.134 9.29984 1.75101 2.8854765836 8.4004110594 1.131988781
+O      0.97067514     -0.02334913      0.00000000
+C      2.33737780     -0.08067870      0.00000000
+O      2.92394883     -1.14194209      0.00000000
+C      3.00162388      1.20064198      0.00000000
+C      3.62761191      2.25433497      0.00000000
+C      4.30835631      3.42544776      0.00000000
+C      4.91654899      4.48349613      0.00000000
+H      0.69440419      0.91500373      0.00000000
+H      5.45589295      5.40868535      0.00000000 
+
+15
+-1571.4254743254546 10.670237 11.73392 -9.9037 -7.6767 -9.828 0.6608 -0.4369 0.019 10.38949 0.60655 4.3153203314 6.665921311 0.485597514
+O      0.92683847      0.07225877     -0.07044729
+C      2.29826173     -0.02790201     -0.07593845
+O      2.81869201     -1.11476988     -0.17680466
+C      3.04152941      1.29634067      0.03594938
+C      4.55757329      1.12379804      0.19693289
+C      5.28155496      2.43819794      0.18427742
+C      6.02777735      2.91421451      1.18728847
+H      0.67208271      1.01001587      0.02571476
+H      2.63150067      1.87305502      0.88231886
+H      2.81629580      1.88346881     -0.87210157
+H      4.91757257      0.48336373     -0.62481751
+H      4.76854413      0.57984139      1.12954298
+H      5.17667556      3.03764446     -0.72871133
+H      6.16223729      2.34956668      2.11367222
+H      6.53564404      3.87682600      1.11467383 
+
+13
+-1415.407579215641 10.122136 11.37639 -10.2788 -7.9844 -10.155 0.6019 -0.493 -0.055 10.46397 0.68311 4.311799129 10.6225129486 0.817140916
+O      1.05655055     -0.19894021      0.03684596
+C      2.42713711     -0.26611482      0.06826105
+O      2.97532883     -1.33758808      0.18687865
+C      3.14091033      1.07210483     -0.05453520
+C      4.67009901      0.92226922     -0.01608324
+C      5.35145201      2.20438485     -0.13313261
+C      5.89904861      3.28347860     -0.22730438
+H      0.77768932      0.73173987     -0.06231476
+H      2.80555095      1.73289864      0.76157303
+H      2.83237223      1.55823955     -0.99450715
+H      4.98986680      0.24885503     -0.82625086
+H      4.96297064      0.42346934      0.92072164
+H      6.39475361      4.22895319     -0.31164212 
+
+14
+-1451.6544133247228 9.705012 10.30928 -9.1021 -7.1206 -10.247 1.2419 -0.4064 0.523 9.76139 0.08253 5.2994220106 9.899290212 0.175873346
+C     -1.06960175     -0.01207060     -1.03730904
+C     -0.61523470      1.00352980      0.03767748
+C     -1.00180554     -0.05079727      1.10185515
+C     -0.62033086     -1.09146893     -0.00009577
+C      0.88147952     -1.09725746     -0.04777890
+N      1.58067710     -0.01218435     -0.05052049
+O      0.82827379      1.17796738     -0.00486374
+H     -2.16047844      0.00841951     -1.15349801
+H     -0.57033740      0.01258947     -2.01422025
+H     -1.01560848      2.02436144      0.06884616
+H     -0.44173410     -0.06088775      2.04549404
+H     -2.08312606     -0.03581260      1.28745882
+H     -1.06830261     -2.09195801     -0.00399764
+H      1.46810952     -2.01905064     -0.08322781 
+
+14
+-1448.5012966688548 9.469846 10.31667 -9.0948 -7.0245 -10.469 0.9477 0.0353 2.62 9.85571 -2.43337 7.9364554474 11.3908665892 0.164022208
+C     -0.90459000      0.00010863     -1.24529216
+C     -0.64810643      0.99919100     -0.09089605
+N     -1.38380194      0.00003821      0.78874711
+C     -0.64819967     -0.99910426     -0.09098996
+C      0.84048899     -0.73329499      0.27130101
+O      1.61696818     -0.00001297     -0.71344800
+C      0.84056168      0.73320612      0.27137491
+H     -1.95941438      0.00017460     -1.53588840
+H     -0.22086885      0.00011543     -2.09867350
+H     -1.00746358      2.03537710     -0.09371481
+H     -1.01762919     -0.00002210      1.75447008
+H     -1.00765710     -2.03525555     -0.09389953
+H      1.40510269     -1.36943541      0.95630134
+H      1.40519960      1.36922419      0.95647796 
+
+14
+-1467.5499901343528 9.416907 10.25698 -9.2282 -7.0701 -10.511 0.9054 0.0293 2.667 10.04761 -2.3659 8.1219013076 11.6182693118 0.138844039
+C     -1.31558064      0.64445885      0.00311643
+C     -1.06869567     -0.85907506     -0.12903592
+N     -0.22258785     -1.55545121      0.85649430
+C      0.38922774     -1.09006880     -0.40155026
+C      1.06832482      0.26881558     -0.36283295
+O      0.99748336      0.91408038      0.93539543
+C      0.05128066      1.30608537     -0.09292321
+H     -1.93809213      0.99238584     -0.83749228
+H     -1.84234238      0.91331747      0.93233470
+H     -1.85263014     -1.47855755     -0.57308240
+H      0.05694350     -0.89359051      1.59380997
+H      0.77640469     -1.85745108     -1.07437050
+H      1.98742548      0.44892438     -0.92497295
+H      0.14460855      2.34590633     -0.42221036 
+
+13
+-1287.4010169913972 9.669404 10.09181 -8.6125 -6.6286 -9.772 0.7466 -0.219 0.302 9.43001 0.28359 5.0353566278 9.7484364458 0.182955448
+C      2.09025982     -0.13828450     -0.12027970
+C      0.74467084     -0.83675906      0.09914690
+N     -0.38722299     -1.31100405     -0.66003155
+C     -1.43781197     -0.45971267     -0.22622256
+N     -1.41142960      0.70059438      0.37230458
+O     -0.10857463      1.33567452      0.63600200
+C      0.78683526      0.62489725     -0.19206478
+H      2.63917442     -0.15340624     -1.06322805
+H      2.71210961     -0.17284445      0.77476641
+H      0.62665111     -1.00314291      1.17669440
+H     -0.62625873     -2.30407341     -0.62702729
+H     -2.45630127     -0.81952871     -0.39718840
+H      0.55545811      0.83388986     -1.24287196 
+
+13
+-1300.655198627132 9.593181 10.10989 -8.6359 -6.6081 -9.574 0.9376 0.0178 0.401 9.22811 0.16299 4.7202958032 9.6741068388 0.26295161
+C      2.08968507     -0.13414877     -0.06797125
+C      0.70883851     -0.79940290      0.05512460
+N     -0.38337010     -1.28637844     -0.75402719
+N     -1.50491554     -0.49646367     -0.34324922
+C     -1.32943347      0.66330667      0.19952013
+O     -0.14613825      1.39753981      0.44638560
+C      0.81603991      0.64133169     -0.29003140
+H      2.71845874     -0.19604740     -0.95790092
+H      2.63085130     -0.14041315      0.87863474
+H      0.50356676     -0.91069795      1.12986737
+H     -0.65535926     -2.26029026     -0.59985527
+H     -2.21072238      1.23280190      0.49591668
+H      0.67085870      0.82011247     -1.35892388 
+
+14
+-1445.9136725210192 9.415242 10.29967 -9.0401 -6.9782 -10.666 0.9166 -0.004 2.594 10.25477 -2.52459 7.9769244778 10.4451757728 0.231047764
+C     -0.86460530      0.00006089     -1.29554834
+C     -0.62057816      0.97709348     -0.12883086
+O     -1.33358052      0.00000336      0.74483878
+C     -0.62074848     -0.97712920     -0.12892943
+C      0.84908089     -0.74777181      0.30644384
+N      1.78123523     -0.00019868     -0.55301581
+C      0.84921004      0.74743661      0.30652320
+H     -1.92019938      0.00016947     -1.58440918
+H     -0.22332171      0.00004609     -2.18980323
+H     -1.03375977      1.99131785     -0.08325642
+H     -1.03411282     -1.99128290     -0.08344897
+H      1.28560044     -1.35765323      1.09756814
+H      1.48909594     -0.00011913     -1.53455433
+H      1.28582361      1.35715719      1.09772261 
+
+14
+-1462.3781861821558 9.547375 10.41364 -9.1826 -7.0742 -10.793 0.9205 0.0588 2.706 10.12939 -2.38099 8.4622552762 12.8046293528 0.139897724
+C     -1.63333772      0.65927754      0.58480620
+C     -1.04972582     -0.33223020     -0.36166759
+C      0.06016819     -1.16351946      0.20243611
+O      1.26473538     -1.12044537     -0.60058769
+C      1.15913781     -0.24774768      0.55193434
+C      0.74913055      1.16707940      0.18092074
+N     -0.62290359      1.09453269     -0.39882114
+H     -2.63863751      1.04740215      0.40988771
+H     -1.33734822      0.58479202      1.63724661
+H     -1.61341710     -0.69498511     -1.22451322
+H     -0.13139427     -2.10734189      0.72248395
+H      1.86712434     -0.45016749      1.36065120
+H      0.76113647      1.83748203      1.05463304
+H      1.42577151      1.58120137     -0.58229027 
+
+12
+-1210.9452530209833 8.895053 9.44692 -9.4016 -7.361 -9.977 1.6264 -0.1712 -0.052 9.65842 0.6089 4.8257954906 9.800845328 0.273449579
+C      2.06151628     -0.18238157     -0.12802521
+C      0.69212616     -0.77743554      0.15893695
+O     -0.43257498     -1.36347017     -0.51427453
+C     -1.43087632     -0.44646979     -0.16809108
+N     -1.39593315      0.73326435      0.38037448
+O     -0.11910875      1.39495689      0.60927955
+C      0.77434174      0.64138184     -0.19703092
+H      2.56786824     -0.24273974     -1.09200723
+H      2.71935832     -0.22171897      0.74123752
+H      0.58181622     -0.93350607      1.23623735
+H     -2.43221700     -0.83702974     -0.35831023
+H      0.53707323      0.81291851     -1.25435666 
+
+14
+-1454.7716754437731 10.125553 10.88028 -8.7821 -6.7349 -10.026 1.6047 -0.2218 0.449 9.68487 0.16166 5.4340832052 10.206155562 0.391246887
+C      0.75287714     -0.09963347      0.01573959
+C      2.18963541      0.40881088     -0.02554456
+C      1.03901923      1.35876664     -0.15877663
+C      0.68448259      2.45951823      0.82946100
+C      0.32983965      3.55823912     -0.13241372
+N      0.40046116      3.23463638     -1.37583930
+O      0.80738823      1.90180141     -1.49380734
+H      0.33711483     -0.42979766      0.96931999
+H      0.39184729     -0.63747916     -0.86152290
+H      2.76291702      0.20189439     -0.92982288
+H      2.76768140      0.43078054      0.90006547
+H      1.52721341      2.73989730      1.48172419
+H     -0.16725559      2.19871607      1.47944926
+H      0.02127823      4.57002933      0.12760783 
+
+12
+-1259.0669144137787 8.889042 9.69718 -8.661 -6.5865 -10.158 1.9068 -0.0323 0.212 9.85025 0.32567 5.753942288 10.378310123 0.4241367
+C      0.82225332     -0.09198935      0.06323595
+C      2.27506818      0.38985534     -0.14852597
+C      1.12472354      1.32122062     -0.28136408
+O      0.91982705      2.36454664      0.68469295
+C      0.47213908      3.40834443     -0.06587021
+N      0.35007099      3.22342134     -1.32863516
+O      0.75664742      1.87040148     -1.55343645
+H      0.50400866     -0.31015836      1.08290652
+H      0.37401164     -0.70776773     -0.71694705
+H      2.77921598      0.08988675     -1.06757050
+H      2.91008736      0.48766874      0.73227426
+H      0.24204680      4.33982010      0.44259975 
+
+16
+-1610.963796945147 10.404105 11.51297 -8.8649 -6.6882 -10.285 0.8638 -0.0781 2.69 9.53943 -2.37984 8.1025718902 10.999975927 0.176971277
+C      1.89484736      0.14422079     -0.74838418
+O      1.71394549     -0.07101771      0.66802027
+C      0.54530637      0.06437895     -0.17178687
+C     -0.37036978      1.26516508      0.08497162
+C     -1.77760212      0.69430188     -0.14596556
+N     -1.61975318     -0.70817944      0.27272217
+C     -0.36474696     -1.15074794     -0.35006778
+H      2.30720213      1.12174688     -1.02453937
+H      2.30224727     -0.71062606     -1.30191419
+H     -0.24293001      1.57198085      1.13295021
+H     -0.14287569      2.12305978     -0.56143282
+H     -2.54812525      1.19539718      0.45689276
+H     -2.05457439      0.80013647     -1.21778972
+H     -2.41270937     -1.28371751     -0.01486161
+H     -0.46662406     -1.36824756     -1.43620935
+H      0.05015219     -2.03755164      0.14951441 
+
+16
+-1607.8701588347594 10.365087 11.48376 -9.2875 -7.1309 -10.863 0.9135 0.0007 2.722 10.23689 -2.40653 8.4465710472 11.381356863 0.327368447
+C      1.94030742      0.13100927     -0.69919261
+N      1.77251899      0.00061153      0.77023231
+C      0.58251553      0.07884906     -0.10176003
+C     -0.35101634      1.28071204      0.08736630
+C     -1.74649369      0.66336268     -0.10522855
+O     -1.60465852     -0.72655961      0.23838149
+C     -0.34853933     -1.11452043     -0.32278091
+H      2.35545366      1.08729611     -1.02857733
+H      2.28187997     -0.73749260     -1.27129436
+H      1.93657422     -0.97442930      1.04526308
+H     -0.22087560      1.67253580      1.10572753
+H     -0.14974840      2.09117238     -0.62718293
+H     -2.51960626      1.08668742      0.54890187
+H     -2.08002320      0.75674679     -1.15822427
+H     -0.46064823     -1.32165117     -1.40792267
+H     -0.01746021     -2.03470997      0.18130106 
+
+14
+-1458.38156018781 9.786022 10.36413 -9.086 -7.0447 -10.252 1.1414 -0.4789 0.445 9.85849 0.16304 5.4242511154 11.0279223714 0.180931223
+C      1.67831190     -0.12553145      0.26643103
+C      0.90788145     -1.45374336      0.54171983
+C     -0.24913506     -0.94341236     -0.36814215
+C     -1.31346061     -0.13531216      0.31886854
+N     -1.22606801      1.14117835      0.17392674
+O     -0.10214376      1.45257882     -0.62528211
+C      0.65060462      0.22742118     -0.83913369
+H      2.72280300     -0.22413912     -0.05659904
+H      1.62911332      0.59169555      1.09642522
+H      1.40568237     -2.33396015      0.11345968
+H      0.64895350     -1.66879817      1.58721054
+H     -0.67055585     -1.65708468     -1.09285778
+H     -2.15279641     -0.53212238      0.89093026
+H      1.01792953      0.24176992     -1.87274706 
+
+16
+-1610.665495515845 10.34482 11.27743 -9.299 -7.1633 -10.844 0.8326 -0.1244 2.934 10.24687 -2.71326 8.5779466128 11.3197110238 0.160958809
+C     -1.48153913      0.79096997      0.21377325
+C     -1.38279786     -0.69955814     -0.12004987
+C     -0.00193050     -1.24204117      0.22072819
+N      1.04475457     -1.04394072     -0.81373118
+C      1.11724570     -0.27637903      0.44338969
+C      0.83429994      1.21009978      0.35662863
+O     -0.37969842      1.52667907     -0.32229480
+H     -2.38559817      1.23792822     -0.22331135
+H     -1.52374998      0.93311165      1.31398784
+H     -1.57508680     -0.85375578     -1.19241167
+H     -2.15471770     -1.24790065      0.44264984
+H      0.02872538     -2.17714071      0.78788955
+H      1.71368842     -1.81964039     -0.77877629
+H      1.88417298     -0.54571577      1.17812800
+H      0.80270644      1.61638071      1.39025942
+H      1.63239512      1.72762296     -0.19685925 
+
+16
+-1579.1222638946904 10.519071 11.51213 -8.9053 -6.8091 -10.059 0.9273 0.0135 2.73 9.65913 -2.41858 7.7516295172 11.6294032546 0.196175667
+C     -1.66632940      0.59957967      0.30034964
+N     -1.63046665     -0.83634598     -0.23049745
+C     -0.12091426     -0.75706575      0.04300138
+C      1.22057275     -1.07676229     -0.59301285
+C      1.99970020      0.19032388     -0.03217003
+O      1.03480726      1.23000750      0.38774805
+C     -0.18458592      0.71594014     -0.15068172
+H     -2.41132967      1.25663233     -0.16687292
+H     -1.80147969      0.57214898      1.39080635
+H     -1.77204803     -0.77628055     -1.24874317
+H     -0.04290764     -0.96722047      1.12431789
+H      1.70117943     -2.01118037     -0.27293380
+H      1.18083084     -1.05227701     -1.69174978
+H      2.59976239     -0.06525190      0.85313618
+H      2.66107937      0.61460664     -0.80291722
+H     -0.22675098      0.94225518     -1.23847053 
+
+12
+-1315.7564883904886 9.75936 10.25614 -9.4319 -7.4769 -9.385 0.8745 -0.7877 -0.075 8.78741 0.61352 4.9109490754 11.2603093312 0.365538801
+C      2.03772670      0.54977293      0.85706326
+C      2.45055737     -0.09846599     -0.53455371
+C      3.10370651      1.24171229     -0.84650508
+N      3.77909240      2.01633795     -1.66139253
+O      3.87786558      3.23112248     -0.89362352
+C      3.25142879      3.08015958      0.31805079
+C      2.74245849      1.82084656      0.38758427
+H      2.48363313      0.06369706      1.73508332
+H      0.95416857      0.64632700      1.00771137
+H      1.60957314     -0.37021538     -1.18587536
+H      3.14426339     -0.94624120     -0.46051205
+H      3.28694593      3.96018671      0.95340926 
+
+11
+-1170.4139405353476 9.094301 9.41006 -10.6133 -8.6758 -10.92 0.12 -1.6732 -0.92 10.11801 1.23305 4.0970925728 12.277775643 0.375586879
+C      1.74641216      0.42073776     -0.80378819
+C      2.49957242      0.03189888      0.54557102
+C      3.06051260      1.45048107      0.52987302
+N      3.77018465      2.44830763      0.98694514
+O      3.52562035      3.45819431      0.01952106
+N      2.65446357      3.02433157     -1.01492627
+C      2.39708850      1.79309473     -0.66029995
+H      0.65113512      0.41996629     -0.73516783
+H      2.06023377     -0.14993784     -1.68705752
+H      3.24948102     -0.76247157      0.44110500
+H      1.83901583     -0.19456282      1.39210451 
+
+16
+-1614.1864622788858 10.347618 11.23924 -8.7894 -6.646 -10.159 0.8635 -0.0839 2.856 9.40792 -2.61394 8.0027631602 10.923910516 0.23770567
+C     -1.51116597      0.79813040      0.18322933
+C     -1.36065890     -0.69484671     -0.13412898
+C      0.03678438     -1.20212081      0.17997955
+O      1.05011317     -0.98453098     -0.83275067
+C      1.13835620     -0.23944104      0.39237295
+C      0.86022347      1.24773181      0.33849383
+N     -0.37984616      1.53652659     -0.37819723
+H     -2.44000883      1.18511283     -0.26058507
+H     -1.59338648      0.92514625      1.28781071
+H     -1.56245719     -0.87616078     -1.20118992
+H     -2.09643709     -1.27269418      0.44649798
+H      0.10796096     -2.18772431      0.65596243
+H      1.97790679     -0.52360410      1.04012903
+H      0.84498899      1.59500812      1.39871106
+H      1.69586003      1.76044884     -0.16487059
+H     -0.56118337      2.53983806     -0.36014442 
+
+16
+-1579.0855997254519 10.452903 11.47462 -8.9188 -6.8076 -9.962 0.9107 -0.0653 2.714 9.49873 -2.48279 7.5687749644 11.5945383914 0.117205501
+C     -1.83583129      0.64631858      0.25367610
+O     -1.78964194     -0.73835513     -0.27094216
+C     -0.35324307     -0.73764603      0.11171329
+C      0.94297460     -1.16715307     -0.54261879
+C      1.83820033      0.07842220     -0.05650993
+N      0.95536909      1.19533448      0.48902668
+C     -0.32426165      0.74452909     -0.07127936
+H     -2.54200022      1.26965776     -0.31041022
+H     -2.07667923      0.64599980      1.33208428
+H     -0.31947393     -0.99542560      1.19115650
+H      1.35494554     -2.12611329     -0.20121259
+H      0.86771400     -1.17690579     -1.63860511
+H      2.56094768     -0.22052393      0.71408981
+H      2.40369964      0.47090486     -0.91277100
+H      0.92002471      1.08521813      1.50806769
+H     -0.28455426      0.94397795     -1.15624520 
+
+14
+-1455.4216762509275 10.858471 10.78647 -8.7739 -6.8341 -9.278 0.0316 -1.576 -0.45 8.73387 0.98856 4.5885234824 7.1821742178 0.206847176
+C     -1.38923559      0.63138601      0.11976354
+C     -1.50352353     -0.85785774     -0.19684984
+C     -0.30055318     -1.62876416      0.22895842
+C      0.92624233     -1.10078960      0.43490255
+C      1.40487731      0.25532140      0.19163387
+N      0.90248215      1.33097153     -0.33919781
+O     -0.44942811      1.35912038     -0.69909550
+H     -2.34309871      1.13984661     -0.07872957
+H     -1.12144786      0.78103935      1.17854501
+H     -1.69146071     -0.98270941     -1.27654891
+H     -2.39966354     -1.26060734      0.30866694
+H     -0.43494378     -2.69516885      0.43033261
+H      1.71099220     -1.77419198      0.78950031
+H      2.46329102      0.41963381      0.42419838 
+
+16
+-1592.3382079840712 10.615353 11.20378 -8.9368 -6.9427 -10.392 1.135 -0.3194 0.458 9.89105 0.16665 5.0316370478 6.4934815822 0.212195446
+C      1.73469022     -0.10216901     -0.02158801
+C      0.86153715     -1.22728560      0.54823128
+C     -0.39976158     -1.48064167     -0.28619672
+C     -1.46067547     -0.40925116     -0.15548252
+N     -1.42026984      0.84272006      0.14620494
+O     -0.16402043      1.48201070      0.29263976
+C      0.89166852      1.03295525     -0.59144150
+H      2.37828467     -0.48452225     -0.83292363
+H      2.40613142      0.28276772      0.76081574
+H      1.44542246     -2.15732556      0.62275969
+H      0.55302594     -0.96746190      1.57223812
+H     -0.87383703     -2.42077975      0.03804529
+H     -0.14615339     -1.63827626     -1.35040033
+H     -2.49988943     -0.74240563     -0.26507627
+H      1.50232855      1.93268566     -0.76197092
+H      0.43236823      0.75254940     -1.55426493 
+
+16
+-1591.8957624515115 10.587275 11.91264 -9.0735 -6.8953 -10.461 0.8983 -0.062 2.761 9.75017 -2.4242 8.2926548268 11.1126296066 0.165213041
+C      1.07845931      0.49263887     -0.97868564
+O      0.56240118      1.40884851      0.00533962
+C      0.54982509     -0.00523670      0.30313772
+C      1.45956216     -0.46587609      1.41042551
+C      0.92809879     -0.46392047      2.86982347
+C      1.57813952     -1.86176144      2.99525611
+N      1.59892868     -1.94678430      1.50745406
+H      0.47401106      0.39245273     -1.88634712
+H      2.16318715      0.53642356     -1.13079154
+H     -0.44854218     -0.46210243      0.30509038
+H      2.42090314      0.08023426      1.33848342
+H     -0.16888227     -0.50702737      2.90492720
+H      1.28823930      0.33074007      3.53216282
+H      2.58057690     -1.80800667      3.45795712
+H      0.99903664     -2.65759743      3.48767070
+H      2.45534554     -2.32942510      1.10027619 
+
+13
+-1342.6350289672127 9.816451 9.87294 -9.0094 -7.0467 -9.517 0.7017 -1.041 0.188 9.18297 0.41479 4.2757068044 5.398846384 0.244988941
+C     -1.50088816      0.61806785      0.27459863
+C     -1.34359118     -0.77347133     -0.34884151
+C     -0.25164099     -1.51138503      0.36965483
+N      0.97526167     -1.12835381      0.44798962
+N      1.41625264     -0.06120135     -0.31963518
+C      0.77970127      1.04401962     -0.49837544
+O     -0.43415143      1.52275298     -0.11480508
+H     -2.42146533      1.11707275     -0.06352289
+H     -1.52213757      0.55165873      1.37231502
+H     -1.11709969     -0.66281833     -1.42292213
+H     -2.29666408     -1.31541935     -0.26605187
+H     -0.50415766     -2.39647484      0.96463341
+H      1.31185052      1.82647212     -1.04809740 
+
+14
+-1394.9200172593407 9.428509 9.95832 -9.4568 -7.4788 -10.755 1.2282 -0.5748 0.269 10.25144 0.34244 5.16959627 6.5930423402 0.232537874
+C      0.85124739     -1.12139089      0.59232658
+C     -0.36543314     -1.44507041     -0.27239551
+C     -1.47119046     -0.41505181     -0.22393625
+N     -1.47245866      0.83790931      0.06766439
+O     -0.21576103      1.46497456      0.32456990
+C      0.88257037      1.00340811     -0.46837479
+O      1.64545907     -0.02845524      0.11248060
+H      1.52757675     -1.98720426      0.62748291
+H      0.51929434     -0.90242574      1.62198990
+H     -0.79519136     -2.39181031      0.09340015
+H     -0.06626256     -1.64305967     -1.31624038
+H     -2.48772984     -0.77353715     -0.42551857
+H      1.56095127      1.86208554     -0.56105240
+H      0.48729784      0.71373796     -1.45970654 
+
+16
+-1591.9849711815668 10.381766 11.58205 -9.2466 -7.0854 -10.989 0.9458 0.0095 2.859 10.31606 -2.50763 8.7570939842 12.2840121388 0.113487802
+C      0.51785168      0.97515488     -0.33248010
+N     -0.49791839      0.11841792      0.31764693
+C      0.83232064     -0.43902692      0.00733667
+C      1.72404432     -0.79886297      1.16689402
+C      1.46296727     -0.13582331      2.53479978
+C      1.28629673     -1.57544449      3.04973177
+O      1.42204511     -2.12759183      1.70617669
+H      0.40466694      1.23597652     -1.38751228
+H      0.89842864      1.78092846      0.30143769
+H     -1.18024354     -0.20762471     -0.37253645
+H      0.90503508     -1.13972411     -0.83175941
+H      2.77939842     -0.75526414      0.83596777
+H      0.53993618      0.45617870      2.55065314
+H      2.29854547      0.43307553      2.95880913
+H      2.08999103     -1.93668364      3.71383310
+H      0.30683443     -1.82076590      3.48946152 
+
+16
+-1583.511977932435 10.577252 11.69047 -9.3308 -7.1678 -10.739 0.9277 0.0124 3.148 10.04565 -3.12267 8.7500515794 12.2017846236 0.172707324
+C      0.59170941      0.39181816     -0.82055822
+C      0.06231020      1.32462567      0.21413690
+N      0.15687642     -0.11807014      0.48981768
+C      1.23158117     -0.50417656      1.38881076
+C      0.83673567     -0.70085485      2.86642572
+O      1.41042131     -2.04135316      2.88019330
+C      1.56854196     -2.00846451      1.43094977
+H     -0.03088899      0.09621643     -1.66719057
+H      1.66752972      0.43114332     -1.02181226
+H     -0.95232127      1.71940320      0.13364602
+H      0.78477562      1.98656274      0.70334556
+H      2.13381861      0.12981580      1.27136768
+H     -0.25667125     -0.72017717      3.01459797
+H      1.31208324     -0.04560866      3.61239967
+H      2.58080110     -2.31293562      1.12370323
+H      0.81064708     -2.62748465      0.92076679 
+
+16
+-1582.6942402958593 10.651757 11.98709 -9.2497 -7.1303 -10.773 1.011 0.1293 2.991 10.08237 -2.68293 8.768165934 11.0237688404 0.200097164
+C      0.77027248      0.18564933     -0.01854587
+C      0.42632461     -0.13743707      1.41796181
+C     -0.55572828      0.65128499      2.17575463
+O     -0.90346661     -0.64669858      1.64580109
+N      1.98114016      1.00796137     -0.08309743
+C      3.24154955      0.25624397     -0.18572979
+C      2.68481444      0.97091118     -1.37018587
+H      0.87732313     -0.76407151     -0.58709487
+H     -0.06215519      0.74819418     -0.46986661
+H      1.20860799     -0.65848499      1.98522959
+H     -1.04521780      1.50013293      1.68673644
+H     -0.48487973      0.70367473      3.26694907
+H      3.18365474     -0.83767759     -0.19555915
+H      4.08681234      0.67408646      0.36481117
+H      3.11718896      1.91886139     -1.69660543
+H      2.25726922      0.35285920     -2.16699878 
+
+16
+-1599.7322708341187 10.246556 11.21399 -9.0101 -6.8642 -10.456 0.9725 0.0873 2.94 9.83083 -2.62363 8.344505772 10.7305171532 0.158853999
+C     -1.70134131      0.76117859      0.40185970
+C     -1.05282640     -0.40243155     -0.27014485
+C     -0.23409689     -1.38678173      0.53590926
+O      1.14161971     -1.39209694      0.11558115
+C      1.71627395     -0.07673205     -0.03136107
+C      0.78560784      1.04668668      0.41570606
+N     -0.46454305      0.96190802     -0.36086310
+H     -2.59309653      1.21610295     -0.03448112
+H     -1.64612436      0.80287152      1.49582414
+H     -1.45916432     -0.76718216     -1.21824971
+H     -0.30838103     -1.16836659      1.61739228
+H     -0.58716561     -2.41573912      0.38204481
+H      2.65107571     -0.04868640      0.55273201
+H      1.96657959      0.06650252     -1.09721955
+H      0.61482541      0.99458792      1.50774532
+H      1.26611728      2.01514833      0.20810469 
+
+16
+-1595.3545798288244 10.174599 10.98639 -8.4123 -6.3235 -10.081 0.9593 0.0416 3.02 9.48357 -2.76845 8.0674714536 11.6236007098 0.09948025
+C     -0.86800861     -0.04398946     -1.12496952
+C     -0.58265776      1.06291637     -0.08603485
+C     -1.11649187      0.03951354      0.93232800
+N     -0.68376499     -1.06792388     -0.01560424
+C      0.77634758     -1.23667160      0.18843091
+C      1.57845677      0.04925030     -0.12746382
+O      0.82640637      1.25488704      0.11937984
+H     -1.91641366     -0.04856319     -1.45536469
+H     -0.20920535     -0.14865786     -1.99800485
+H     -1.02519436      2.06634307     -0.17810025
+H     -0.64192947      0.02484957      1.92392685
+H     -2.21285156      0.03463185      1.02998026
+H      0.92137706     -1.55804423      1.23124003
+H      1.13605734     -2.05256798     -0.45993312
+H      1.89666622      0.04170366     -1.18543436
+H      2.48775629      0.11803281      0.48726381 
+
+18
+-1750.7992691709571 11.056878 11.93944 -8.4819 -6.3906 -9.776 0.9776 0.054 3.104 9.05821 -2.83844 7.7404335814 12.5637617506 0.09410865
+C     -1.47862278      0.76473676      0.12302637
+C     -1.49169129     -0.75902347     -0.08155358
+N     -0.30657605     -1.51245752      0.34340891
+C      0.89407608     -1.21380717     -0.43364699
+C      1.69315793      0.05389931     -0.05580110
+O      0.92165662      1.17182092      0.38092610
+C     -0.23334646      1.47554607     -0.40957396
+H     -2.37356392      1.19627227     -0.36078307
+H     -1.55549188      1.00021034      1.19766644
+H     -1.63628774     -0.98037663     -1.15376386
+H     -2.36625192     -1.18343226      0.43799653
+H     -0.13313465     -1.36846357      1.34160836
+H      1.59649361     -2.06427830     -0.36885409
+H      0.58297702     -1.16273328     -1.48938960
+H      2.36158850     -0.16007401      0.79294821
+H      2.33319380      0.33497487     -0.91810357
+H     -0.36785513      2.56583891     -0.33123081
+H     -0.05653172      1.24385678     -1.47757028 
+
+15
+-1469.611380351149 10.204565 10.59745 -8.2475 -6.3191 -9.621 0.6505 -0.3651 0.629 8.9485 -0.04882 5.4697911732 8.5662795302 0.124183746
+C      1.72512462     -0.12423944     -0.10078190
+C      0.83728844     -1.19565761      0.53303957
+N     -0.39880245     -1.39733383     -0.23921003
+C     -1.41746128     -0.46592254     -0.22893797
+N     -1.43591544      0.80556872      0.01616767
+O     -0.16355155      1.40001853      0.37876201
+C      0.89193213      1.08844140     -0.54459607
+H      2.26006979     -0.53123679     -0.97417829
+H      2.48279276      0.18067761      0.63723394
+H      1.36471793     -2.15893157      0.56377137
+H      0.59435941     -0.91758636      1.57139371
+H     -0.73003615     -2.35606247     -0.28484054
+H     -2.39639965     -0.85696861     -0.52550163
+H      1.51701414      1.99374523     -0.59620876
+H      0.45603729      0.92404775     -1.54342308 
+
+15
+-1483.4926833095883 10.144364 10.60917 -8.1386 -6.1498 -9.28 0.9051 -0.1088 0.661 8.80096 -0.11704 4.8266137982 5.744643338 0.141002022
+C      1.71986825     -0.07967625     -0.02012910
+C      0.78412295     -1.19695913      0.46623275
+N     -0.36517422     -1.37090177     -0.43677391
+N     -1.46928545     -0.54084977     -0.19928979
+C     -1.31506788      0.70192569      0.07798936
+O     -0.18672001      1.48582804      0.17258909
+C      0.93358478      1.06366717     -0.64840452
+H      2.41700123     -0.46544380     -0.78095522
+H      2.32351291      0.28650869      0.82445877
+H      1.32420131     -2.15456710      0.50564871
+H      0.43216454     -0.97491092      1.49151626
+H     -0.72457793     -2.32279837     -0.38514439
+H     -2.21411631      1.28421988      0.29085222
+H      1.55426294      1.96274026     -0.76216817
+H      0.55108290      0.77518737     -1.63879205 
+
+14
+-1417.368154747894 10.13734 10.74012 -9.1798 -7.1331 -9.686 1.3439 -0.4007 0.254 9.28076 0.37687 5.059124744 9.8555479512 0.279421037
+C      2.10857988     -0.13294546     -0.04187212
+C      0.78425306     -0.85694718      0.17642089
+C     -0.40162520     -1.45813214     -0.53439647
+C     -1.49102489     -0.44170796     -0.12730486
+N     -1.39357603      0.74145745      0.39798888
+O     -0.08263120      1.36497500      0.51365678
+C      0.79984901      0.58059739     -0.25194432
+H      2.70760746     -0.24434305     -0.94821899
+H      2.68773115     -0.01226805      0.87380105
+H      0.61371496     -0.89733959      1.25799311
+H     -0.70049973     -2.45615264     -0.17280938
+H     -0.30078198     -1.52387965     -1.62938640
+H     -2.53912578     -0.76101319     -0.15760777
+H      0.58296929      0.71269908     -1.31979040 
+
+16
+-1604.117167218967 10.325133 11.25183 -8.5432 -6.4358 -9.731 1.0291 0.1124 3.155 9.08473 -2.87469 7.7295600092 12.4513064486 0.130196271
+C     -1.67299077      0.82476985      0.53023991
+C     -1.13000391     -0.23896255     -0.39605789
+N     -0.40308252     -1.36817163      0.14445747
+C      1.00089324     -1.34656562     -0.29626295
+C      1.66518942      0.06462556     -0.18584939
+O      0.79071242      1.00739972      0.46100676
+C     -0.42164064      1.09721766     -0.25281970
+H     -2.58528561      1.34062559      0.22910842
+H     -1.55797290      0.67729737      1.60557648
+H     -1.68699854     -0.44335264     -1.31621929
+H     -0.43602241     -1.33663627      1.16409540
+H      1.55499648     -2.08106248      0.30498038
+H      1.03970927     -1.69465809     -1.34111065
+H      2.57156585      0.03562439      0.43384052
+H      1.94502813      0.44749617     -1.18471332
+H     -0.42729752      1.83087298     -1.06834216 
+
+16
+-1610.223749465192 10.89219 11.45194 -8.4675 -6.3344 -8.947 0.8625 -0.1194 1.289 8.49531 -0.72495 5.9852629682 5.9852629682 0.28028396
+C      1.67665545     -0.12809147     -0.06669535
+C      0.72736070     -1.17458204      0.50515745
+O     -0.42722591     -1.45610198     -0.30912784
+C     -1.44950806     -0.55148826     -0.17009941
+C     -1.36333713      0.73615433      0.20283064
+C     -0.09627982      1.54624817      0.38500617
+N      0.97804344      1.08269853     -0.49803999
+H      2.20976819     -0.54333511     -0.93751308
+H      2.43388329      0.04730912      0.73117445
+H      1.26101379     -2.13076202      0.60495665
+H      0.37011877     -0.87286156      1.50450641
+H     -2.40885018     -1.01709684     -0.40742107
+H     -2.31106032      1.26735820      0.30711438
+H      0.19590272      1.59291323      1.46002489
+H     -0.32213719      2.58420455      0.09593461
+H      1.65104226      1.83194314     -0.65903890 
+
+15
+-1474.7388723651327 10.364614 10.68144 -8.4016 -6.3863 -9.083 1.0726 -0.2217 0.71 8.55955 -0.11326 4.5304856358 5.5879498312 0.182320577
+C      0.76724528     -1.18686529      0.44462059
+C      1.70721129     -0.07531778     -0.02141180
+O      1.02461544      1.09225631     -0.47588244
+C     -0.06819778      1.48496886      0.34728380
+C     -1.33250456      0.66791488      0.12656634
+N     -1.47989010     -0.55274923     -0.26363504
+N     -0.37787530     -1.35787313     -0.45617584
+H      1.32951718     -2.13280606      0.47617189
+H      0.40434032     -0.98793571      1.47174382
+H      2.29819019     -0.41020703     -0.88603644
+H      2.40444645      0.17574834      0.80386257
+H      0.21750601      1.51269982      1.41925714
+H     -0.29218321      2.52422475      0.05955535
+H     -2.27416054      1.21746609      0.23593487
+H     -0.70835067     -2.31972482     -0.49075482 
+
+14
+-1396.5152414725724 9.426322 9.94166 -8.9782 -6.976 -10.541 1.0014 -0.149 0.278 10.09237 0.26674 5.3582657662 6.2801016762 0.1605473
+C      1.69145697     -0.16077295     -0.10031541
+C      0.78082444     -1.14937421      0.60742140
+O     -0.42880102     -1.42451771     -0.15817010
+C     -1.39907853     -0.47305756     -0.11595488
+N     -1.39714537      0.79294012      0.12300160
+O     -0.13980342      1.44013267      0.35749261
+C      0.89034838      1.05797537     -0.57510833
+H      2.18844749     -0.63366026     -0.96184991
+H      2.47762902      0.14309694      0.60848541
+H      1.25704838     -2.13058406      0.73035552
+H      0.48230150     -0.77327862      1.59640909
+H     -2.38201525     -0.89106235     -0.35143981
+H      1.53276792      1.94623217     -0.66742605
+H      0.42584948      0.87061046     -1.55672115 
+
+15
+-1457.496620014513 10.278382 10.62434 -8.9032 -6.8028 -10.195 0.9345 -0.3641 0.486 9.89459 0.12815 5.009778316 6.5316568716 0.178891705
+C      1.71056049     -0.12242146     -0.05206992
+C      0.73350644     -1.14361792      0.51569678
+O     -0.40671472     -1.41893338     -0.32517037
+N     -1.52127629     -0.56964790     -0.14904892
+C     -1.33200849      0.65619569      0.19301580
+C     -0.08233472      1.50642469      0.34862647
+N      1.00018819      1.06580495     -0.52005825
+H      2.25769471     -0.55641715     -0.90370321
+H      2.45153710      0.08377611      0.75236816
+H      1.23631645     -2.11498460      0.63243766
+H      0.36084663     -0.83620642      1.50728357
+H     -2.28535676      1.17889272      0.33321507
+H      0.18305416      1.58557908      1.42894207
+H     -0.36642172      2.52377029      0.03900211
+H      1.64997853      1.83102530     -0.69850703 
+
+14
+-1387.7728003036586 9.585413 9.99345 -9.2719 -7.2542 -10.532 1.2294 -0.533 0.324 10.0617 0.27648 5.0232679928 6.4604641104 0.199538017
+C      1.67422245     -0.11572088     -0.05260047
+C      0.72545740     -1.14736601      0.53275074
+O     -0.40573821     -1.44330261     -0.31191281
+N     -1.51755272     -0.58604239     -0.16056588
+C     -1.31867112      0.63946007      0.17774522
+C     -0.05948145      1.47588757      0.33811788
+O      1.01735015      1.07528911     -0.49130210
+H      2.17617226     -0.51463131     -0.94539188
+H      2.44804882      0.11967268      0.70684917
+H      1.25498815     -2.10560952      0.65114197
+H      0.34859431     -0.84808461      1.52530903
+H     -2.26408252      1.18282762      0.29280176
+H      0.23518810      1.54611146      1.40544276
+H     -0.31163560      2.49827881      0.01769461 
+
+16
+-1588.842672690062 10.312856 11.50661 -9.2925 -7.0468 -11.064 0.8297 -0.1249 2.728 10.43259 -2.37645 8.7271637638 11.4726353562 0.163193294
+C      0.65294601      1.04495637     -0.36614589
+N     -0.44995324      0.19344765      0.13224112
+C      0.88001856     -0.40397591     -0.11143223
+C      1.63559760     -0.91345975      1.09115148
+C      1.43575043     -0.22220763      2.45733085
+O      1.12323370     -1.49239131      3.10324444
+C      1.08365369     -2.16461746      1.81328465
+H      0.63328757      1.38950000     -1.40308298
+H      1.01465030      1.78232502      0.35591990
+H     -1.08504755     -0.03932244     -0.63637995
+H      0.98752096     -1.03047365     -1.00520847
+H      2.69981477     -1.02187413      0.83301380
+H      0.57231512      0.46272846      2.48669719
+H      2.32112038      0.25376770      2.90663216
+H      1.71157797     -3.06988309      1.80295044
+H      0.04930372     -2.42190985      1.52451350 
+
+16
+-1589.9371350188612 10.482935 11.90298 -9.5794 -7.41 -11.195 0.8686 -0.0829 2.717 10.53868 -2.4061 8.8542990082 11.3065685078 0.27541773
+C      1.04982832      0.00447059      0.01277594
+C      0.66668798      0.65322736      1.32567385
+C     -0.52456373      0.21132625      2.09848118
+N      0.83449230     -0.17913260      2.53941003
+C      2.53189876      0.10648789     -0.26708702
+C      3.47158882     -0.95556122      0.12507027
+O      3.07254944     -0.79771022     -1.25384293
+H      0.76125339     -1.05739864      0.03260359
+H      0.49253326      0.48401369     -0.81007104
+H      0.92185824      1.71608937      1.41239138
+H     -1.13157217     -0.61485338      1.71962265
+H     -1.07430583      0.96140393      2.67259421
+H      1.12004551      0.40887103      3.32865766
+H      2.93014289      1.12785854     -0.34641632
+H      3.07935898     -1.84540316      0.62780787
+H      4.51720385     -0.70747944      0.33630870 
+
+14
+-1471.198709372076 10.018646 10.54529 -8.5158 -6.387 -9.072 0.9043 -0.1573 1.214 8.64313 -0.65364 5.9403428404 5.9403428404 0.229564864
+C      1.87090254     -0.19607827      0.30123988
+N      1.13308197     -1.49854092      0.46281693
+C      0.05742337     -1.01050200     -0.47497267
+C     -1.17869218     -0.48699914      0.20774767
+C     -1.10456210      0.85211947      0.26056298
+O      0.01265222      1.42182619     -0.31301498
+C      0.84219126      0.30588560     -0.73378043
+H      2.90251125     -0.28660234     -0.07103285
+H      1.87736901      0.39856058      1.22757340
+H      1.65739323     -2.26696098      0.03650796
+H     -0.15081697     -1.68965094     -1.31767569
+H     -1.99104200     -1.09286017      0.59905988
+H     -1.80192656      1.57457900      0.68178893
+H      1.21754495      0.52931393     -1.74007099 
+
+13
+-1324.0242212416524 9.318385 9.74379 -9.2227 -7.073 -10.433 0.9692 -0.6591 0.394 10.06396 0.20342 5.3839928612 6.2711250898 0.148635396
+C      1.80539848     -0.15278798      0.21518492
+N      0.99112245     -1.37940396      0.53281677
+C     -0.06388376     -0.93753199     -0.43320912
+C     -1.25257842     -0.30825670      0.24687889
+N     -1.22961660      0.97647651      0.29703531
+O     -0.07186755      1.46493608     -0.35991132
+C      0.73267708      0.33729180     -0.78471529
+H      2.78656370     -0.35779722     -0.23925811
+H      1.93912607      0.50792207      1.08441333
+H      1.45229194     -2.23658308      0.22217345
+H     -0.33510236     -1.66170633     -1.21681469
+H     -2.08932939     -0.83467367      0.70453807
+H      1.05210835      0.52553447     -1.81702220 
+
+16
+-1623.7234281724907 10.093758 10.94187 -8.8705 -6.7479 -10.243 0.8313 -0.1257 3.031 9.52516 -2.79666 8.1924245444 11.2757579868 0.130544302
+C     -1.21250454     -0.72240216     -0.53597032
+N     -1.21650633      0.78020586     -0.51924933
+C     -0.04012341      1.11505933      0.32764487
+C      1.20147443      0.72402565     -0.48518715
+O      1.20248630     -0.73498467     -0.43117178
+C      0.01549762     -1.07668293      0.32679015
+C     -0.02060709      0.00985919      1.40682636
+H     -1.07932142     -1.10175843     -1.55994841
+H     -2.14312967     -1.14421125     -0.12318087
+H     -2.06017041      1.10522789     -0.04164153
+H     -0.05808842      2.16074829      0.65830118
+H      2.13926933      1.10179813     -0.04540383
+H      1.11644945      1.05672984     -1.53085400
+H      0.09610007     -2.12514022      0.63736488
+H     -0.92986976      0.00233994      2.02437876
+H      0.87628384     -0.00355446      2.04101102 
+
+12
+-1323.2375120039621 10.050395 10.39089 -8.1604 -6.166 -8.22 1.0493 -0.1459 0.567 7.66222 -0.10482 4.5936813 6.3865312586 0.352229359
+C      2.53486345      0.01108254      0.80809374
+N      1.60030164      0.33693962     -0.35655656
+C      2.35433688      1.55009977     -0.54599485
+C      2.62637171      2.76162166     -1.10733843
+O      3.62224540      3.35104788     -0.32509650
+C      3.94057657      2.49579682      0.71603303
+C      3.18224941      1.37460154      0.59095093
+H      3.19537169     -0.84803356      0.62182114
+H      1.98293059     -0.13076781      1.74733934
+H      1.63570097     -0.33163418     -1.13088308
+H      2.30589059      3.34129970     -1.96400648
+H      4.70462111      2.86412602      1.39125773 
+
+16
+-1579.7527780696494 10.481788 11.48566 -9.0465 -6.9371 -10.048 0.8999 -0.0352 2.6 9.58988 -2.28353 7.678143015 11.5665175554 0.121065783
+C     -1.72882041      0.65507387      0.28307305
+N     -1.70314327     -0.76407901     -0.27944333
+C     -0.22669863     -0.74035770      0.09778347
+C      1.11873859     -1.08804518     -0.50027844
+O      1.95390053     -0.03176229      0.09356892
+C      1.13319515      1.07617802      0.63070647
+C     -0.20549881      0.77110186     -0.00309484
+H     -2.40393993      1.35151969     -0.23103279
+H     -1.98092752      0.60723454      1.35282280
+H     -1.76574266     -0.67206882     -1.30325233
+H     -0.20763478     -1.04107475      1.16123653
+H      1.55158724     -2.04850962     -0.18645436
+H      1.13498449     -1.01352949     -1.60248871
+H      1.12052508      1.02089053      1.73259718
+H      1.61459590      2.01154888      0.31217379
+H     -0.12627097      1.02149946     -1.07733738 
+
+11
+-1176.9813734164075 9.306636 9.53659 -8.8306 -6.8269 -9.191 0.8717 -0.7857 -0.184 8.71787 0.69043 4.7036816792 12.193155198 0.266461597
+C      2.35899996     -0.16753288      0.62994673
+N      1.73059953      0.30140146     -0.68672573
+C      2.54247661      1.49071743     -0.59285755
+C      3.00200373      2.74140712     -0.87034172
+O      3.77973911      3.13740665      0.20443974
+N      3.80758828      2.11781343      1.21531468
+C      3.07443018      1.18041169      0.66793304
+H      3.02258775     -1.03705105      0.52922717
+H      1.60371204     -0.34203801      1.40684372
+H      1.92835970     -0.30342571     -1.48864776
+H      2.94403311      3.46125987     -1.67944232 
+
+11
+-1181.6044827870599 9.27972 9.53837 -9.1665 -7.2606 -9.498 0.9717 -0.6579 -0.103 8.90266 0.58549 4.935696681 11.6726867672 0.256663242
+C      2.06779530      0.38773089      0.74017211
+N      1.86922452      0.22209199     -0.76628954
+C      2.83361512      1.25274431     -0.94655086
+N      3.50445467      1.98725995     -1.80265423
+O      4.16326761      2.91008475     -0.89791953
+C      3.82617488      2.62973441      0.40542392
+C      2.98466014      1.56738988      0.41940364
+H      2.57297900     -0.46335766      1.21719134
+H      1.12550059      0.61744326      1.25393072
+H      2.06521222     -0.69625257     -1.17047759
+H      4.29265595      3.28208079      1.13764002 
+
+16
+-1587.6595799113854 10.365625 11.54422 -8.714 -6.5197 -10.202 0.8465 -0.1044 2.659 9.57549 -2.31055 8.1813525946 10.781512595 0.204501663
+C      0.71661192      0.99253988     -0.40217161
+O     -0.32764902      0.07524556     -0.02178873
+C      1.01934487     -0.42963958     -0.16456886
+C      1.71067849     -0.92058189      1.07865174
+C      1.48914878     -0.19645469      2.43082459
+N      1.19921374     -1.50037158      3.12288649
+C      1.15088394     -2.18652131      1.78671818
+H      0.65540357      1.37261658     -1.42741743
+H      0.98555459      1.73078191      0.36179805
+H      1.14983412     -1.06650593     -1.05056868
+H      2.78426741     -1.03670200      0.85538072
+H      0.59271721      0.44307251      2.43440072
+H      2.34086881      0.37177777      2.83185117
+H      2.03523946     -1.80610179      3.62779569
+H      1.74761467     -3.10660335      1.70484866
+H      0.10944744     -2.40949209      1.50599929 
+
+16
+-1609.1303641187085 10.112928 11.00321 -8.5991 -6.4617 -10.026 0.9682 0.0127 2.885 9.36348 -2.70433 7.97787917 13.1132181082 0.10426673
+C     -1.20275301     -0.00152065      1.01700318
+C     -0.63834095     -1.00787870     -0.00044879
+C      0.86864305     -1.23048113      0.24147841
+N      1.64142696     -0.00083653     -0.02912650
+C      0.86951869      1.22847303      0.24532932
+C     -0.63762865      1.00768283      0.00273848
+O     -0.78196789      0.00164644     -1.06838476
+H     -0.78389127     -0.00329854      2.03404498
+H     -2.29926260     -0.00116180      1.04701544
+H     -1.19625253     -1.93047107     -0.21898581
+H      1.02343225     -1.56171229      1.28443483
+H      1.25832026     -2.02380963     -0.41271782
+H      1.82103564      0.00065922     -1.03413745
+H      1.25971098      2.02357478     -0.40639805
+H      1.02454532      1.55635056      1.28930913
+H     -1.19492624      1.93134348     -0.21284460 
+
+16
+-1580.997534739987 10.464138 11.48463 -8.8594 -6.7436 -10.159 0.8932 -0.0492 2.64 9.50439 -2.31368 7.7965992394 11.5387322928 0.110487639
+C     -1.72867619      0.62261380      0.24520112
+O     -1.63741587     -0.75739073     -0.27868052
+C     -0.20389521     -0.69795148      0.09047441
+C      1.10701478     -1.05995904     -0.58216491
+N      1.97200497      0.04046083     -0.01135942
+C      1.11659412      1.18263900      0.53188490
+C     -0.22422029      0.79963021     -0.06707173
+H     -2.45414442      1.22198199     -0.32025874
+H     -1.97537663      0.61314465      1.32208630
+H     -0.13679916     -0.98292435      1.16163596
+H      1.53244546     -2.03768682     -0.31688327
+H      1.04783569     -0.98128719     -1.67961208
+H      2.53460375     -0.34198167      0.74833756
+H      1.10178116      1.19221189      1.63399064
+H      1.51906043      2.14167817      0.17500555
+H     -0.18075260      1.00023075     -1.15073578 
+
+13
+-1339.6521925491388 9.702991 9.87559 -8.3871 -6.3776 -8.948 1.1203 -0.569 0.437 8.43141 0.11445 4.5389786768 11.3797202478 0.220024452
+C      0.78553284     -1.22720400      0.42246403
+N     -0.49137079     -1.44158937     -0.27760565
+N     -1.51196192     -0.55099124     -0.22995827
+C     -1.23451984      0.70360179     -0.03701141
+C      0.13309198      1.21794774      0.16844604
+O      1.12157377      0.89520167     -0.88164276
+C      1.19844942      0.22388474      0.37778620
+H      1.54448454     -1.87214077     -0.04822044
+H      0.71775055     -1.50780361      1.49383837
+H     -0.85034955     -2.39082412     -0.21376837
+H     -2.08051672      1.39185049     -0.07806946
+H      0.24663433      2.22729887      0.57476100
+H      2.06367140      0.48134781      1.00206072 
+
+13
+-1342.7374074531492 10.171285 10.16336 -8.3056 -6.3242 -9.11 0.9911 -0.3336 0.615 8.67907 -0.04272 4.6883322124 6.183367799 0.30159552
+C      1.07124416      1.16883492     -0.14806827
+N     -0.19207326      1.45267996      0.55713065
+N     -1.34042628      0.76964120      0.23352200
+C     -1.41807537     -0.49033653      0.03455017
+O     -0.49287341     -1.52480507      0.02157413
+C      0.86921614     -1.35606124      0.04175228
+C      1.58572818     -0.22629269     -0.01387264
+H      1.81276664      1.87534715      0.25511300
+H      0.96173924      1.40257060     -1.22651529
+H     -0.41563290      2.44495848      0.47030251
+H     -2.40792220     -0.91464360     -0.13191398
+H      1.34667933     -2.33483133      0.09533799
+H      2.66875972     -0.35331186     -0.00133255 
+
+12
+-1328.8783605959816 10.08548 10.42519 -7.8771 -5.9369 -8.152 0.8284 -0.0458 0.804 7.62142 -0.30097 4.8106691986 6.146729936 0.33230657
+C      2.30390439     -0.05645833      0.51815882
+O      1.23460786      0.51265308     -0.38228780
+C      2.02331520      1.67406700     -0.43451412
+C      2.23268145      2.95605079     -0.88941233
+N      3.46380217      3.29682427     -0.30402564
+C      3.98710758      2.27091465      0.47528105
+C      3.06888810      1.24580045      0.38822624
+H      2.74400846     -0.94735521      0.04982109
+H      1.87198175     -0.28946742      1.50106210
+H      1.69678710      3.64910980     -1.52601850
+H      3.91724869      4.19216936     -0.43752535
+H      4.93482723      2.39757154      0.98793444 
+
+11
+-1192.0713794408957 9.260116 9.58483 -8.4751 -6.5767 -9.027 1.5869 -0.0768 0.135 8.60226 0.35863 4.707500448 6.7319314574 0.17600294
+C      2.09292641      0.02440019      0.57876114
+O      1.44501939      0.44125365     -0.72913169
+C      2.15071446      1.65094437     -0.60078261
+C      2.54173886      2.91319308     -0.99579728
+N      3.40917403      3.27980777      0.03408702
+N      3.58453014      2.35161980      1.02661231
+C      2.79174888      1.37213599      0.59035252
+H      2.71470047     -0.86499142      0.41483205
+H      1.31697537     -0.14958152      1.33510765
+H      2.33873907      3.57663692     -1.82797450
+H      3.90955290      4.15804115      0.10894340 
+
+13
+-1337.6482096688844 9.452656 9.79152 -8.6563 -6.6384 -9.239 1.1265 -0.6375 0.521 8.74972 0.06901 5.0156924482 5.2409254158 0.133023059
+C      1.72424117     -0.47564003      0.15821312
+O      0.85356878     -1.64990797      0.09762847
+C     -0.18486334     -0.87594876     -0.59420575
+C     -1.40814297     -0.55685197      0.21662238
+N     -1.36755089      0.60659994      0.78477094
+N     -0.13607067      1.20239968      0.54991557
+C      0.63763937      0.43264451     -0.44085487
+H      2.61507136     -0.61055769     -0.47815020
+H      2.02031835     -0.22848642      1.18886311
+H     -0.38800021     -1.30204553     -1.58974813
+H     -2.28349006     -1.19197710      0.33932316
+H     -0.24374342      2.20245177      0.38953917
+H      0.90375254      1.02644956     -1.32553697 
+
+12
+-1256.3027085266071 8.617862 9.12624 -9.5904 -7.5428 -10.714 0.8996 -0.9786 0.169 10.335 0.41172 5.3604355212 6.3043037434 0.157008528
+C      1.83157893     -0.39851910      0.00023217
+O      1.00785976     -1.60907637      0.12370866
+C     -0.07724211     -0.96532031     -0.60987973
+C     -1.15848726     -0.39352313      0.26649933
+N     -1.05285379      0.86940121      0.49341626
+O      0.06312718      1.39304049     -0.19757589
+C      0.75952314      0.30162895     -0.84919856
+H      2.78368679     -0.61960129     -0.50593507
+H      2.01506320      0.08546387      0.97156705
+H     -0.43774079     -1.59500125     -1.43716548
+H     -1.98759846     -0.94029567      0.71313642
+H      1.02531338      0.62202260     -1.86280516 
+
+10
+-1101.6372919807384 8.533747 8.8818 -9.1896 -7.2123 -9.605 0.8036 -0.9669 -0.454 9.10659 0.94716 4.8226710434 10.7294260764 0.345718588
+C      2.04618912     -0.03979972      0.55172830
+O      1.40410822      0.46398301     -0.72186951
+C      2.11716339      1.65566866     -0.52997894
+C      2.52737689      2.91770107     -0.82229188
+O      3.40638215      3.27745242      0.18829213
+N      3.55767416      2.21625324      1.14643569
+C      2.76536444      1.29768730      0.64994470
+H      2.66631939     -0.91853531      0.33870428
+H      1.27714905     -0.24242227      1.30657472
+H      2.36152320      3.66969162     -1.58413949 
+
+11
+-1198.0582349482897 9.203854 9.57289 -8.6473 -6.7689 -9.133 0.7812 -0.068 0.196 8.68317 0.26748 4.8013826472 11.8774744434 0.412298985
+C      2.09560096      0.30681278     -0.48443412
+O      1.75064091      0.60556022      0.96364275
+C      2.66128190      1.65174066      0.85115860
+N      3.20541400      2.64811399      1.52985232
+N      4.02954405      3.15577186      0.53732118
+C      3.97561440      2.49011969     -0.67396517
+C      3.05864545      1.47916197     -0.46970491
+H      1.19322810      0.40791431     -1.10040987
+H      2.53091738     -0.69797097     -0.55345107
+H      4.60308926      3.95969347      0.76376173
+H      4.58661360      2.81636202     -1.50998145 
+
+10
+-1108.2729183204767 8.474744 8.87945 -9.7431 -7.8235 -9.784 0.913 -0.8423 -0.388 9.21728 0.84137 4.994094087 11.5386702998 0.504495122
+C      1.89708273      0.39776403      0.54764928
+O      1.55651803      0.48254016     -0.92771818
+C      2.51479341      1.47965622     -1.00128671
+N      3.09147363      2.31025291     -1.83291382
+O      4.00381997      2.97098196     -0.91957214
+C      3.87248474      2.46493578      0.35387083
+C      2.92075063      1.50015694      0.34082797
+H      2.28544455     -0.60131255      0.77770770
+H      1.01199745      0.64888829      1.14390920
+H      4.53140486      2.92068626      1.08654588 
+
+16
+-1606.3249235552291 10.234653 11.07724 -8.8888 -6.7588 -10.375 0.8384 -0.1138 2.961 9.74436 -2.78908 8.3282388088 10.5103056186 0.146095936
+C     -1.22190026     -0.00175194      1.01715261
+C     -0.63215179     -1.02275353      0.01282510
+C      0.86006944     -1.20233169      0.28293628
+O      1.43465370     -0.00192239      0.82482054
+C      0.86048814      1.20033719      0.28661885
+C     -0.63180066      1.02211546      0.01596554
+N     -0.73515402      0.00140863     -1.10416696
+H     -0.85196888     -0.00340093      2.05344657
+H     -2.32011358     -0.00153910      0.99685449
+H     -1.13442969     -1.98451079     -0.16651389
+H      1.03829847     -1.98143297      1.04034622
+H      1.36238558     -1.48941088     -0.65996776
+H      1.36288988      1.49012541     -0.65540733
+H      1.03899634      1.97705440      1.04640261
+H     -1.13373448      1.98459599     -0.16043225
+H     -1.71340819      0.00206713     -1.42007062 
+
+14
+-1472.0888749584385 10.2535 10.69671 -8.3681 -6.2724 -8.914 0.8327 -0.1912 1.164 8.49653 -0.60518 5.7967422552 5.7967422552 0.230417858
+C      0.72855534     -1.21547872      0.50721593
+O     -0.56611799     -1.53883432     -0.05466469
+C     -1.51481074     -0.55935048     -0.07925345
+C     -1.28992603      0.76053941      0.04649622
+C      0.09067010      1.25818939      0.20612224
+N      1.05497690      0.89275877     -0.89823909
+C      1.14700997      0.23456034      0.41513218
+H      1.43754607     -1.87315891     -0.01700581
+H      0.70990884     -1.49779001      1.57503514
+H     -2.50338359     -0.98695424     -0.25419777
+H     -2.12745333      1.45236967     -0.02676438
+H      0.22576929      2.23520539      0.67646479
+H      1.77837308      1.61859477     -0.96144873
+H      1.98396209      0.48208894      1.07779740 
+
+12
+-1264.8404258791172 9.576524 9.49571 -8.9422 -6.9635 -9.399 0.1312 -1.5483 -0.615 8.8595 1.14773 4.709174259 6.9875037992 0.286828799
+C     -1.32432720      0.65858794      0.24246719
+O     -1.49772541     -0.78095995      0.15691226
+C     -0.38265828     -1.49900153      0.38168926
+C      0.89953663     -1.05512574      0.43081289
+C      1.42461072      0.26623657      0.15278320
+N      0.90522545      1.33426988     -0.36784564
+O     -0.48281405      1.21442343     -0.73159487
+H     -2.32772979      1.06008943      0.06211716
+H     -0.95509513      0.89427317      1.25217212
+H     -0.61719809     -2.55084437      0.55672411
+H      1.64241619     -1.80533996      0.70364518
+H      2.48362897      0.42426113      0.38638711 
+
+13
+-1333.1955950338931 9.658427 9.79903 -9.507 -7.4619 -9.922 0.3622 -1.4136 0.204 9.52542 0.41147 4.3782804222 8.6684439942 0.291575263
+C     -0.43628390      1.38163833     -0.16129416
+O     -1.54269176      0.52576632     -0.52388455
+C     -1.18908759     -0.87452369     -0.57117485
+C     -0.25833725     -1.24854545      0.55481626
+N      0.97115132     -0.85509092      0.61187827
+N      1.46616579     -0.15274475     -0.46464374
+C      0.84884035      0.92936284     -0.80776353
+H     -0.30797857      1.39006061      0.93761863
+H     -0.72270258      2.38912772     -0.48867830
+H     -0.70570642     -1.11110536     -1.53770208
+H     -2.13861411     -1.42133438     -0.51037305
+H     -0.61381076     -1.84255296      1.40235180
+H      1.28798548      1.49186168     -1.63730070 
+
+13
+-1332.2697755025183 9.490558 9.85987 -8.7785 -6.7579 -9.682 1.1461 -0.0284 0.61 9.28384 -0.05133 5.0481891788 6.0297119492 0.178655058
+C      1.10324983     -1.08758509      0.88821398
+C      1.11913848     -0.36659208     -0.42783449
+C      0.88375096      1.12106526     -0.48495329
+O     -0.49728223      1.42689082     -0.84928143
+C     -1.39158854      0.69602371     -0.12469183
+N     -1.21654578     -0.46399924      0.40632442
+N     -0.06032345     -1.16776726      0.00168479
+H      1.66190038     -2.01830276      1.00336624
+H      0.99967174     -0.47471297      1.78809039
+H      1.65439485     -0.81268211     -1.26903770
+H      1.07616903      1.60472200      0.48509834
+H      1.49889555      1.60076515     -1.25437386
+H     -2.35057081      1.20244455      0.00338444 
+
+14
+-1453.6982471854715 9.962232 10.50769 -8.9556 -6.9321 -10.185 1.2112 -0.404 0.458 9.69382 0.14795 5.2114539436 11.1915590942 0.164054152
+C      0.88016619     -1.10317448      0.92162587
+C      1.15439609     -0.40581935     -0.37197643
+C      0.85619179      1.06973125     -0.49595981
+O     -0.26608790      1.48700766      0.31302154
+N     -1.48639225      0.78890945      0.06531130
+C     -1.35579940     -0.46807951     -0.19864967
+C     -0.10271162     -1.24256122     -0.24969262
+H      1.46582213     -1.98853303      1.16724332
+H      0.55099196     -0.50310373      1.76984480
+H      1.95292556     -0.78568903     -1.01420736
+H      1.68461760      1.69619073     -0.13503393
+H      0.65049963      1.32067216     -1.55354606
+H     -2.31020459     -0.97397832     -0.37502971
+H     -0.15039521     -2.21311258     -0.74431121 
+
+13
+-1319.317706236296 9.565838 9.88508 -9.0282 -6.98 -10.297 0.9914 -0.6635 0.357 9.85847 0.22837 5.0335712294 6.2643678528 0.152197394
+C      0.71601260     -1.19118567      0.52259687
+O     -0.52336400     -1.47338503     -0.17367602
+N     -1.57323690     -0.54651964     -0.05952516
+C     -1.25390569      0.69151602      0.11437267
+C      0.11657327      1.23467977      0.20575814
+N      1.03343244      0.85477825     -0.92913259
+C      1.19637736      0.23195167      0.38905296
+H      1.42425964     -1.91369139      0.09264305
+H      0.58005405     -1.41447231      1.59739408
+H     -2.11553347      1.36250140      0.17212289
+H      0.22764408      2.22982934      0.64065462
+H      1.72690796      1.60299842     -1.04026104
+H      2.05484866      0.49817917      1.01496953 
+
+12
+-1251.4388598568603 8.880879 9.23657 -9.4339 -7.3716 -10.521 0.7307 -1.0861 0.071 10.10845 0.48473 4.9459999176 6.1952332592 0.15108466
+C      0.70435694     -1.21256914      0.54653619
+O     -0.58012389     -1.50294064     -0.06615217
+N     -1.58989232     -0.53948395     -0.00802220
+C     -1.23732756      0.69984781      0.08150039
+C      0.15018807      1.20549537      0.12381262
+O      1.02501391      0.75926084     -0.96626974
+C      1.19461049      0.19413969      0.33501814
+H      1.37932247     -1.95908332      0.10536782
+H      0.63325595     -1.39296240      1.63594446
+H     -2.07836393      1.39765244      0.09282732
+H      0.30744932      2.24311267      0.42922056
+H      2.11903055      0.46453063      0.86170662 
+
+14
+-1450.3619784015416 10.417263 10.74908 -9.2623 -7.181 -9.304 1.0852 -0.6354 0.456 8.80918 0.16286 5.3754378272 6.9511139082 0.467555996
+C      1.01750826      1.17225773     -0.10069306
+O     -0.22804811      1.22148716      0.59982325
+N     -1.30028403      0.81122100     -0.29844799
+C     -1.40338419     -0.46596613     -0.32546437
+C     -0.52434080     -1.45970715      0.38920622
+C      0.93244434     -1.35568530     -0.01852365
+C      1.58929716     -0.21127888     -0.24866650
+H      1.70114743      1.79641198      0.49878222
+H      0.91180289      1.66409972     -1.08859684
+H     -2.22104569     -0.82393869     -0.96329793
+H     -0.89388178     -2.47472572      0.19097999
+H     -0.62304804     -1.28699822      1.47582449
+H      1.46707680     -2.30177495     -0.13199097
+H      2.63898576     -0.25495254     -0.55737487 
+
+13
+-1316.8151838394306 9.391521 9.80554 -9.035 -6.9909 -10.26 1.2488 -0.4304 0.5 9.80543 0.07455 5.1388601406 6.4293188272 0.165513368
+C      0.91078135     -1.06264347      0.91377667
+C      1.19788277     -0.33434288     -0.34138001
+C      0.87972375      1.12955698     -0.48849597
+O     -0.28376913      1.52193381      0.26450822
+N     -1.43694850      0.71788361      0.03399953
+C     -1.20994962     -0.53055694     -0.18721515
+N      0.02142292     -1.23500813     -0.29047814
+H      1.48038734     -1.95768428      1.16853910
+H      0.50010878     -0.49375889      1.74999344
+H      1.99264602     -0.70835528     -0.99689755
+H      1.68940241      1.77059181     -0.11114868
+H      0.71198599      1.35998375     -1.55702531
+H     -2.10812406     -1.13930009     -0.32442614 
+
+13
+-1332.3765669309864 10.277396 10.16281 -8.1576 -6.1983 -8.624 0.9023 -0.5376 0.428 8.09574 0.14555 4.681587374 6.6989883772 0.201738506
+C      1.02815335      1.12561243     -0.29942579
+O     -0.15579678      1.44027609      0.48162619
+N     -1.37382063      0.85146576      0.04359333
+C     -1.41664732     -0.43746490     -0.05182989
+N     -0.47178169     -1.43762814      0.10885245
+C      0.92164114     -1.33971645      0.13953549
+C      1.63517328     -0.21451797     -0.02803595
+H      1.73658469      1.92718075     -0.04348260
+H      0.76753921      1.24109404     -1.36547806
+H     -2.41105356     -0.81726335     -0.30430300
+H     -0.84552732     -2.37975584      0.05130609
+H      1.40999557     -2.29644800      0.32635670
+H      2.71955006     -0.28234443      0.06164504 
+
+12
+-1254.0341480908999 9.36661 9.4858 -9.0057 -6.9626 -9.472 1.0567 -0.6592 0.219 9.06842 0.35534 5.135934071 6.7291913668 0.332040245
+C      1.03081171      1.15166126     -0.29916927
+O     -0.15919527      1.48937069      0.44918409
+N     -1.34448320      0.83545531      0.05429073
+C     -1.38396216     -0.44260943     -0.05448000
+O     -0.49048325     -1.47409139      0.08896702
+C      0.88284833     -1.32471937      0.13874553
+C      1.59305554     -0.20735368     -0.03096506
+H      1.75106733      1.92908526     -0.00731543
+H      0.81098518      1.28706314     -1.37262437
+H     -2.36793587     -0.84937506     -0.29733020
+H      1.33721380     -2.29698341      0.32447231
+H      2.67743786     -0.30775332      0.03617465 
+
+14
+-1458.9119771249443 9.926631 10.76027 -9.0156 -7.0136 -10.105 1.2694 -0.3821 0.438 9.67455 0.15173 5.4517760074 11.1679521598 0.223156144
+C      1.38969793      0.06303274      0.48331458
+C      2.73986229     -0.06040031     -0.16002104
+C      3.48174172      1.07140013     -0.80192728
+C      4.09067780      0.36008577      0.41124731
+C      4.91860563     -0.80780597      0.06227819
+N      4.30711014     -1.72859822     -0.61003807
+O      2.95374558     -1.35326162     -0.75868843
+H      1.27745154      1.05239638      0.94608478
+H      1.25242399     -0.70749957      1.25418779
+H      0.59652827     -0.05117380     -0.26938675
+H      3.09058868      2.07232399     -0.61928842
+H      3.94818666      0.91210405     -1.77484516
+H      4.22673721      0.89542784      1.35167991
+H      5.96765256     -0.96091139      0.31472259 
+
+16
+-1618.6091053969842 10.29103 11.38755 -8.9238 -6.7931 -10.202 0.9148 0.0125 2.672 9.5365 -2.35612 8.0732739984 10.686043375 0.164503144
+C      1.46243865      0.30660698     -0.17643136
+C      2.83926293     -0.24592513      0.05966707
+C      3.07241243     -1.74421228      0.25423109
+N      4.53255883     -1.95912471      0.18679740
+C      5.06996276     -0.86132040     -0.64733957
+C      4.09512292      0.29365682     -0.49072105
+O      3.73727864      0.54563046      0.89146367
+H      1.50092416      1.38838866     -0.35615071
+H      0.81784379      0.12766232      0.69729176
+H      0.99393442     -0.17921736     -1.04524472
+H      2.56589484     -2.28853696     -0.56408797
+H      2.67342114     -2.12430181      1.20618407
+H      4.89752295     -1.81875103      1.13059810
+H      6.09664783     -0.61712200     -0.33898658
+H      5.09954772     -1.16121612     -1.71094013
+H      4.12868599      1.17104257     -1.14441107 
+
+16
+-1615.1746853899574 10.32688 11.37596 -9.3904 -7.2286 -10.582 0.9084 0.0067 2.766 10.12386 -2.43127 8.2223919606 12.559905786 0.145279488
+C      1.42964671      0.21119503     -0.33228191
+C      2.83574261     -0.10203468      0.10625327
+C      3.18128716     -1.50797534      0.58023325
+O      4.61680869     -1.57489972      0.61214195
+C      5.09730785     -0.72332721     -0.44566385
+C      4.08377225      0.39872828     -0.54227546
+N      3.62197979      0.98423786      0.73346843
+H      1.36599468      1.24620357     -0.69073464
+H      0.72363031      0.10261593      0.50556655
+H      1.10610340     -0.46292908     -1.13960981
+H      2.76101303     -2.25170231     -0.12673141
+H      2.82263472     -1.74278634      1.59492400
+H      6.11218232     -0.40341267     -0.16406634
+H      5.14989918     -1.26889947     -1.40900001
+H      4.08093632      1.05714042     -1.41410300
+H      4.18932097      0.59342573      1.49773897 
+
+14
+-1456.0178247245 9.95318 10.77351 -9.007 -6.9376 -10.067 1.351 -0.3867 0.411 9.67219 0.18063 5.447262917 11.0645850316 0.162038529
+C      0.97055284      0.01707042      0.54909476
+C      2.40795202     -0.03887007      0.08838564
+C      2.80405220      0.73079414     -1.13250712
+O      4.17647186      1.09574048     -1.28039206
+N      4.95775418     -0.08346771     -1.38393287
+C      4.16448758     -1.10465440     -1.38374148
+C      2.73389176     -0.79027487     -1.20844218
+H      0.81000764      0.87177864      1.22289143
+H      0.68814578     -0.89895781      1.08879798
+H      0.28090727      0.12828414     -0.30048566
+H      3.16594100     -0.11163649      0.87270552
+H      2.12482546      1.42139241     -1.63544770
+H      4.60023159     -2.09527331     -1.51022517
+H      1.95798881     -1.35790556     -1.72473108 
+
+16
+-1588.0724854333885 11.454334 12.38479 -9.0135 -6.9545 -10.178 1.4246 -0.2401 0.485 9.68244 0.13981 5.4507717208 6.2904049128 0.211513859
+C      1.04473713     -0.00821480      0.01436572
+C      2.55306544     -0.04226219     -0.04525834
+C      3.26954439     -0.71211137     -1.18490171
+C      3.30135185      0.79753727     -1.08797995
+C      4.53157290      1.51948557     -0.70998450
+N      5.61182245      0.88836171     -0.41876999
+O      6.63233453      1.79328110     -0.01992852
+H      0.68266416      0.84520905      0.60724196
+H      0.64886665     -0.92780029      0.47241454
+H      0.61094853      0.07289676     -0.99369568
+H      3.06419151     -0.09751807      0.91974005
+H      2.66226765     -1.14102002     -1.98364982
+H      4.20383696     -1.23181773     -0.97544529
+H      2.65537725      1.35004010     -1.77500691
+H      4.49916743      2.61733366     -0.65356381
+H      7.38170116      1.19057925      0.13411226 
+
+16
+-1641.1320014691553 10.847491 12.03911 -9.1625 -7.1976 -10.645 0.7135 -0.2699 0.509 9.53275 0.13347 4.3333230986 12.2436546958 0.252714303
+C      0.94229143      0.04331273     -0.15873291
+C      2.44254704      0.00614535      0.01971023
+C      3.31600333     -0.75089223     -0.93742040
+C      3.33643070      0.77104053     -0.95066750
+C      4.50899977      1.58301419     -0.48812932
+N      5.30427655      1.03589335      0.49265597
+O      4.74639593      2.69464657     -0.96162977
+H      0.51165531      0.95400501      0.28241820
+H      0.46631258     -0.82509639      0.32104600
+H      0.67271152      0.02609601     -1.22481979
+H      2.77769170      0.02695230      1.06078371
+H      2.83902556     -1.23837496     -1.78923425
+H      4.19846346     -1.27282775     -0.56439702
+H      2.83108715      1.26059593     -1.78392169
+H      5.13184559      0.13051141      0.91192879
+H      6.07771238      1.59551797      0.83419975 
+
+18
+-1746.7784122470875 11.276302 12.51714 -8.681 -6.5575 -9.97 0.8207 -0.1753 2.911 9.50805 -3.07834 7.7015887676 11.5166503862 0.152748119
+C      1.05730486      0.00750660     -0.10697101
+C      2.56948929      0.03495511     -0.13173276
+C      3.34953223     -0.61164927     -1.26847906
+C      3.33876756      0.90791699     -1.09192200
+N      2.62541685      1.79742012     -1.99023167
+C      4.61451526      1.54876172     -0.59213993
+O      5.55597678      1.79338552     -1.65129057
+H      0.65332571      0.85240292      0.46981748
+H      0.69494007     -0.92367831      0.35368519
+H      0.62289802      0.05920664     -1.11567813
+H      3.02677345     -0.06868234      0.85766086
+H      2.76547434     -1.01749957     -2.09755769
+H      4.24840767     -1.18499566     -1.02677705
+H      1.85956704      1.31293408     -2.46090920
+H      3.27599738      2.09811262     -2.72232313
+H      5.06379330      0.92390642      0.20089176
+H      4.38980532      2.54015903     -0.17128600
+H      5.77815489      0.92594738     -2.03663708 
+
+16
+-1630.9948871031215 10.901018 12.1682 -9.3877 -7.3321 -10.491 1.003 -0.1117 0.367 9.92389 0.2127 4.3232554354 6.2001803006 0.210637386
+C      0.88873368      0.04278895     -0.18285511
+C      2.38101639     -0.08791576      0.01443560
+C      3.23503638     -0.84207744     -0.97560318
+C      3.34045469      0.66420641     -0.88414251
+N      4.53697378      1.23476003     -0.32711421
+C      4.54681920      2.23174591      0.61303123
+O      5.54904405      2.82353889      0.99496556
+H      0.48896312      0.91756353      0.35177893
+H      0.36388789     -0.84934366      0.18989052
+H      0.63549459      0.15515364     -1.24741681
+H      2.71060403     -0.17048650      1.05311347
+H      2.75618483     -1.25600584     -1.86400585
+H      4.07246739     -1.42196580     -0.58652021
+H      2.88608321      1.22940332     -1.70586644
+H      5.42973172      1.05138702     -0.78595771
+H      3.52580507      2.43581730      1.01193670 
+
+18
+-1750.1219104113527 11.32759 12.65064 -8.9606 -6.8298 -10.598 0.7786 -0.2135 2.96 10.26864 -2.60432 8.3160385864 10.4818136358 0.180533098
+C      0.98058948     -0.10908844     -0.04977753
+C      2.49241418     -0.06932853     -0.04669405
+C      3.28943773     -0.71284039     -1.17789084
+C      3.24103096      0.79914480     -1.01532528
+O      2.47168788      1.54239221     -1.93468671
+C      4.48483737      1.54981420     -0.58267068
+N      5.20247003      1.98982829     -1.79501935
+H      0.56373769      0.69271492      0.57820954
+H      0.61337086     -1.07079212      0.33909577
+H      0.58694617      0.02875735     -1.06522531
+H      2.95016118     -0.14933383      0.94480243
+H      2.71135678     -1.12036323     -2.00865733
+H      4.20590093     -1.25439810     -0.93355450
+H      3.15094864      1.98076956     -2.49341088
+H      5.08518467      0.92310595      0.10298288
+H      4.17877605      2.45444125     -0.03255122
+H      5.72983829      1.21116340     -2.19740637
+H      5.87555114      2.72499270     -1.57455055 
+
+16
+-1574.6715697034965 11.479094 12.34944 -9.1803 -7.124 -10.564 1.3669 -0.5224 0.324 10.17478 0.20918 5.3838068822 6.4963828546 0.370611067
+C      0.10863538      0.51696142     -0.40065233
+C      1.36861088     -0.19015188      0.04049104
+C      2.13793103     -1.09260940     -0.91062848
+C      2.70910816      0.23019356     -0.49563007
+O      3.85237315      0.14030896      0.33930529
+N      3.94316918      1.30816365      1.13425679
+C      4.96413134      1.25566155      1.90576376
+H     -0.08499098      1.40581640      0.21810561
+H     -0.76672056     -0.14631433     -0.32739523
+H      0.18429087      0.84773304     -1.44743974
+H      1.39224419     -0.51044481      1.08532089
+H      1.78924191     -1.19528866     -1.93931854
+H      2.61091542     -1.98035017     -0.49038456
+H      2.75512032      1.04910823     -1.21968781
+H      5.11985916      2.11916511      2.55302198
+H      5.65534055      0.40470734      1.93385139 
+
+14
+-1475.1753380481716 10.97821 11.27265 -7.9662 -5.9989 -7.942 0.7214 -0.3635 0.937 7.44394 -0.32855 4.6809178496 6.1847440436 0.440935062
+C      0.91245570      0.03637015      0.07096289
+C      2.40077402      0.09571427      0.03240670
+C      3.29288249      1.15848549     -0.04354682
+C      4.61877418      0.63859230     -0.03331055
+C      4.53126597     -0.74051169      0.04882198
+N      3.18712944     -1.03970571      0.06911646
+O      2.68273260     -2.32772872      0.25393699
+H      0.50978826      1.05546735      0.11621448
+H      0.54947796     -0.51624940      0.95052796
+H      0.48708685     -0.45112938     -0.82137087
+H      3.00474945      2.20460988     -0.09896157
+H      5.54241557      1.20762812     -0.07675483
+H      5.27500011     -1.52673547      0.10624704
+H      2.55334742     -2.67842720     -0.65098985 
+
+14
+-1508.3990039884022 11.04192 11.62021 -7.3681 -5.3689 -7.581 0.8439 -0.0923 0.764 7.20549 -0.15802 4.1493650704 6.7656556494 0.40340071
+C      1.01417948     -0.08260633     -0.00878095
+C      2.48431236      0.11937566     -0.01977624
+C      3.30370851      1.20924999      0.01824803
+C      4.66244368      0.73510108     -0.00590698
+C      4.57660712     -0.63116641     -0.06414646
+N      5.51068012     -1.65701119     -0.20632591
+O      3.26858410     -1.03420633     -0.07666291
+H      0.51447704      0.89226826      0.05125464
+H      0.68892772     -0.68574561      0.85385727
+H      0.66232774     -0.59120784     -0.92049713
+H      2.97691731      2.24418855      0.06495575
+H      5.57210762      1.32633071      0.01914476
+H      5.24174166     -2.50217412      0.29816444
+H      6.44394553     -1.36218642      0.07316168 
+
+16
+-1606.6611318775965 10.580443 11.30042 -9.0001 -6.9685 -10.214 1.0689 -0.1539 0.482 9.78644 0.11546 5.3974081464 10.7019383802 0.180512825
+C      0.89273316     -0.04062574      0.00126745
+C      2.41925916     -0.08170176     -0.00002622
+C      3.00977910      0.05030287      1.39865248
+C      2.97761376     -1.27533604     -0.80720402
+C      3.48994275     -0.58064753     -2.03414695
+N      3.43585932      0.70410144     -1.98924435
+O      2.87872579      1.11122327     -0.77865938
+H      0.50575955     -0.09133744     -1.02593776
+H      0.53462056      0.89146332      0.45922510
+H      0.48463517     -0.88850236      0.57161433
+H      4.10729973      0.05790973      1.35582486
+H      2.68804991     -0.78931547      2.03215177
+H      2.67557824      0.98443860      1.87074641
+H      2.20263734     -2.02152117     -1.04088370
+H      3.79055103     -1.80295274     -0.28047266
+H      3.91282543     -1.05658897     -2.91857737 
+
+16
+-1609.6589503268854 10.767272 11.66732 -8.7335 -6.7393 -9.967 0.8733 -0.1656 0.667 9.44841 0.00136000000001 5.4580620976 6.096081655 0.177904882
+C      0.97816135      0.03234802      0.12320419
+C      2.48494950     -0.03298577     -0.07692358
+C      2.96915795     -1.27242160     -0.84074127
+C      3.31431144     -0.67038809     -2.18098550
+C      3.70256256     -1.44761916     -3.39317778
+N      3.27908074      0.61786241     -2.19186414
+O      2.90289500      1.10200277     -0.92909431
+H      0.68862382      0.99967367      0.55443832
+H      0.64739792     -0.76472884      0.80581485
+H      0.45612367     -0.08912515     -0.83702884
+H      3.01176906      0.10352810      0.87920798
+H      2.19231007     -2.04897149     -0.92102928
+H      3.85879496     -1.74421075     -0.39108384
+H      3.94351844     -0.76742308     -4.21830636
+H      2.88875781     -2.11808488     -3.71085728
+H      4.57957570     -2.08156614     -3.18667316 
+
+18
+-1746.1853228399295 11.207876 12.59069 -9.2321 -7.0187 -10.718 0.8819 -0.1052 2.999 10.10638 -2.76397 8.713364122 10.1771056422 0.103059515
+C      0.94745401     -0.10610298      0.31010433
+C      2.36538943      0.15168200     -0.15509223
+C      3.20307478      1.19003029      0.62327772
+C      4.13931695      0.00742835      0.95533120
+C      5.55038671      0.04980004      0.38513552
+N      6.38110718      0.96924337      1.17602484
+O      3.28468880     -0.92635171      0.22421197
+H      0.54897321     -1.01679014     -0.15945207
+H      0.29579900      0.73632530      0.03113759
+H      0.91055344     -0.23407104      1.40158756
+H      2.38603636      0.29376886     -1.25108213
+H      2.68952722      1.63685473      1.48432126
+H      3.65112521      1.98587853      0.01193397
+H      4.19191077     -0.25041791      2.02705361
+H      5.49031301      0.28664724     -0.69681049
+H      5.97663691     -0.96235388      0.47000828
+H      6.12146984      1.93866990      0.97586565
+H      7.36140719      0.87764908      0.90382342 
+
+16
+-1602.742081259807 10.770659 11.44967 -9.053 -7.058 -10.373 1.0761 -0.2285 0.51 9.88355 0.10476 5.0988374598 6.4518966778 0.245308167
+C      1.00480691     -0.07709885      0.44606284
+C      2.38899209      0.03052197     -0.16537156
+C      2.64573434      1.32513426     -0.92750317
+C      4.06251876      1.27181193     -1.49984243
+C      4.35814826     -0.10755994     -2.01563306
+N      3.65876609     -1.17952047     -1.86613946
+O      2.51268909     -1.11678819     -1.05743491
+H      0.87301526      0.69227033      1.21983093
+H      0.86362451     -1.06279384      0.90874892
+H      0.23031249      0.06039650     -0.32193404
+H      3.16336838     -0.08925788      0.61836499
+H      2.51065574      2.19282260     -0.26562833
+H      1.90545344      1.40665463     -1.73899471
+H      4.81100264      1.55119613     -0.73784131
+H      4.19179325      1.98997423     -2.32586991
+H      5.23560875     -0.26210341     -2.65230480 
+
+14
+-1490.4643545299712 10.530199 11.56828 -9.1793 -7.2139 -9.218 1.18 -0.4291 0.021 8.54148 0.57154 4.8329370842 6.6847175886 0.369194105
+C      0.94746077     -0.06344940     -0.00954102
+C      2.42328614      0.11672983      0.00090845
+C      3.24586403      1.21015745      0.00716087
+C      4.56510582      0.66807687      0.01522332
+C      5.87182893      1.40320206      0.02539179
+N      4.54654442     -0.65468324      0.01398069
+O      3.17800726     -1.01142751      0.00472255
+H      0.44839908      0.91218653     -0.00180265
+H      0.61558956     -0.63390896      0.86979629
+H      0.62543483     -0.61455042     -0.90483817
+H      2.95513190      2.25547883      0.00591506
+H      5.70629217      2.48686743      0.00957891
+H      6.47876899      1.13152453     -0.84864637
+H      6.45245608      1.15398600      0.92380028 
+
+14
+-1522.8109427258478 10.9839 11.22751 -8.5564 -6.6288 -9.14 1.1653 -0.2655 0.27 8.52923 0.39848 4.334674546 5.373305268 0.349565277
+C      1.05566114     -0.09657109      0.26582738
+C      2.35988237      0.00920296     -0.03154030
+C      3.20035168      1.27748758     -0.10656126
+C      4.54184097      0.83537014     -0.71776451
+C      4.50340339     -0.69354604     -0.71523143
+O      5.39543927     -1.47223550     -1.01417843
+N      3.22195280     -1.05292999     -0.32124156
+H      0.54716319     -1.05932193      0.30881093
+H      0.47172210      0.79649264      0.47980462
+H      3.33994941      1.67756216      0.90848313
+H      2.68915428      2.05026824     -0.69453401
+H      4.66546933      1.16325554     -1.76036859
+H      5.42408473      1.17983966     -0.16405523
+H      2.94128536     -2.03070436     -0.29843074 
+
+14
+-1522.6753504865467 10.564354 11.22836 -8.3211 -6.317 -8.863 1.4153 -0.2271 0.428 8.33736 0.24973 4.3653486824 11.6751912844 0.35676807
+C      1.01226232      0.07990476      0.03975361
+C      2.49367193     -0.06225775     -0.03116276
+C      3.26946038     -1.16681114     -0.04486599
+C      4.71225236     -0.75522791     -0.12396148
+C      4.66006972      0.78090878     -0.15761260
+O      5.58144916      1.58177973     -0.22362017
+N      3.30576261      1.09316206     -0.09587514
+H      0.53789066     -0.90781643      0.07935437
+H      0.61940009      0.61618107     -0.83852966
+H      0.70747669      0.64503372      0.93478969
+H      2.90268872     -2.18864873     -0.00361808
+H      5.31783671     -1.07496836      0.73926280
+H      5.23449671     -1.11721758     -1.02401346
+H      2.96679196      2.05066779     -0.10568111 
+
+16
+-1643.8039631714182 10.699043 11.70261 -9.3234 -7.3324 -10.563 0.686 -0.268 0.674 9.66275 0.02813 4.4460387712 6.3595147092 0.154314435
+C      0.95587742     -0.03986256      0.23400073
+C      2.45127955      0.04040101     -0.06710910
+C      2.73880932      0.03823367     -1.56738243
+C      3.23207786      1.12369035      0.75106007
+C      3.96921238     -0.05497818      1.42966361
+O      4.83218865     -0.17690208      2.27768841
+N      3.25248171     -0.96527860      0.68338008
+H      0.77397752     -0.03791996      1.31749381
+H      0.52000508     -0.95887792     -0.18662107
+H      0.42521425      0.81446096     -0.21097156
+H      3.81941599      0.09086375     -1.75896159
+H      2.25546742      0.89760634     -2.05469117
+H      2.34922598     -0.87596228     -2.04059614
+H      2.62286933      1.72384353      1.43858957
+H      3.88665615      1.77630187      0.15968534
+H      3.27372139     -1.98448989      0.65660146 
+
+18
+-1744.459573916042 11.187827 12.43554 -8.7754 -6.6738 -10.246 0.8579 -0.1278 2.961 9.54932 -2.6773 8.1824808672 10.1540318476 0.144545774
+C      0.93505394     -0.07748514      0.13120923
+C      2.44311376      0.04096515      0.00826038
+C      3.17715443      1.13204203      0.83315815
+C      4.20303271      0.03135565      1.21359865
+C      5.50095716      0.07497286      0.40987810
+O      6.39525011      1.10359348      0.84755405
+N      3.22240241     -0.99559499      0.75492116
+H      0.56916748     -0.98380083     -0.37428680
+H      0.43617923      0.78955561     -0.32852707
+H      0.64237297     -0.13647448      1.18940698
+H      2.72518306      0.10397495     -1.06052605
+H      2.58333216      1.47653817      1.69044381
+H      3.55341282      2.00552374      0.28108441
+H      4.45321294     -0.04649329      2.28498567
+H      5.27449918      0.17368467     -0.67073950
+H      6.05215266     -0.86869271      0.54999637
+H      5.93886039      1.95609430      0.73351714
+H      3.62275260     -1.74013916      0.17589532 
+
+16
+-1660.854800493542 10.639076 11.58849 -9.0944 -7.1202 -10.474 0.7536 -0.1846 0.645 9.57572 0.04147 4.3615299136 12.7472982264 0.169312153
+C      0.96804978     -0.03108060      0.07730942
+C      2.49094850      0.00562589      0.03281271
+C      3.12251251      1.18903968      0.80333546
+C      4.48254571      0.65893898      1.27473179
+C      4.29488607     -0.86043408      1.34896479
+O      5.04666672     -1.68173500      1.85976030
+N      3.10822818     -1.13886596      0.70571566
+H      0.56888009     -0.90215879     -0.46271864
+H      0.55299919      0.87054711     -0.39606219
+H      0.61377149     -0.07514247      1.11744817
+H      2.81705191      0.03954720     -1.02622661
+H      2.48764572      1.42218400      1.67271727
+H      3.18621774      2.09093001      0.18050652
+H      5.28420419      0.85504590      0.54436096
+H      4.81878814      1.05177938      2.24190169
+H      2.87747407     -2.10331125      0.47930268 
+
+14
+-1509.8230185329626 10.864688 11.44569 -7.3102 -5.3239 -7.668 0.5662 -0.4539 1.021 7.26876 -0.41163 4.5116149666 12.094462342 0.490355288
+C      0.96309480     -0.03764697     -0.00843586
+C      2.45062495      0.06402300      0.00015806
+C      3.30155629      1.15061856      0.00422721
+C      4.65491200      0.68138330      0.01092749
+C      4.59125482     -0.69454551      0.01077306
+O      5.63094300     -1.58762113      0.01636289
+N      3.26375669     -1.07347388      0.00419881
+H      0.52998015      0.97063130     -0.00226069
+H      0.57073457     -0.56870153      0.87517879
+H      0.57967080     -0.55415605     -0.90455389
+H      2.98412471      2.18977040      0.00247919
+H      5.56494544      1.27121094      0.01558143
+H      5.28811740     -2.49709515      0.01578784
+H      2.91828437     -2.02695728      0.00279568 
+
+16
+-1614.5590799220445 10.583572 11.47563 -9.0078 -6.8693 -10.382 0.8502 -1.0383 0.013 9.97527 0.64443 3.7206834754 10.6731240338 0.107057399
+C      0.92984239      0.05827995      0.12733253
+C      2.45331739      0.01703481      0.01056194
+C      3.27143309      1.06756396      0.83444055
+C      4.15668643     -0.12422161      1.26607297
+N      3.11925048     -1.07557316      0.76323171
+C      2.85296556      0.08393128     -1.45319237
+O      3.55969338     -0.73486703     -2.01356584
+H      0.64886024      0.06994573      1.18834130
+H      0.47953672     -0.83165249     -0.33662271
+H      0.51278602      0.95252464     -0.36052582
+H      2.67226745      1.49620864      1.64846824
+H      3.75555102      1.87792660      0.27347494
+H      5.10879599     -0.16248196      0.71157779
+H      4.36271225     -0.22270017      2.34220600
+H      3.50005888     -1.78361307      0.12494698
+H      2.44167271      0.96675386     -2.01138821 
+
+16
+-1614.7394441349484 11.019257 12.1117 -9.7068 -7.6355 -10.906 1.1877 -0.687 0.188 10.05252 0.40324 4.0059008698 8.0320238562 0.218641112
+C      0.88779005     -0.05186082     -0.05037184
+C      2.36933923      0.15132259     -0.23472965
+C      3.22136325     -0.58235919     -1.19515655
+C      2.74526815     -1.65146394     -2.14414421
+N      2.79225694      0.82411267     -1.51202081
+C      3.83460957      1.77738629     -1.31525721
+O      3.95399726      2.78303073     -1.97456503
+H      0.41130673      0.88453391      0.27177375
+H      0.70318625     -0.81155580      0.72373237
+H      0.40426896     -0.37314707     -0.98004984
+H      2.89644871      0.50048120      0.66381689
+H      4.27063791     -0.68289052     -0.88521076
+H      1.70326244     -1.49185012     -2.44426388
+H      2.82825532     -2.64156230     -1.67164647
+H      3.36158988     -1.65622572     -3.05396532
+H      4.55398932      1.52444808     -0.48658145 
+
+16
+-1615.2276168935593 10.755545 11.71785 -9.0289 -6.914 -10.406 0.8706 -1.0486 -0.052 10.05887 0.69001 3.6903317026 7.9456180128 0.148345465
+C      0.93913232      0.01420446      0.10113927
+C      2.45038602      0.08275642     -0.00688285
+C      3.21621305      1.05859844      0.92793052
+C      4.16920810     -0.14371081      1.20965178
+N      3.18272245     -1.06708633      0.62105216
+C      5.48810607     -0.02794674      0.48731151
+O      5.80120195     -0.69091666     -0.48661909
+H      0.54449072     -0.82419609     -0.49164166
+H      0.47772710      0.94032675     -0.27453792
+H      0.63453983     -0.13610409      1.14700485
+H      2.75056438      0.24304878     -1.05860663
+H      2.63787302      1.34764764      1.81502453
+H      3.65926555      1.95222538      0.46960511
+H      4.39867297     -0.32312956      2.27833566
+H      3.62026718     -1.69614302     -0.06152586
+H      6.19360929      0.72820545      0.92343862 
+
+16
+-1630.0317507096609 10.882105 11.81911 -9.032 -7.095 -10.148 0.8682 -0.2301 0.486 9.33664 0.15181 4.3474699012 5.9616560338 0.19976355
+C      0.88434126      0.14068054      0.23559767
+C      2.37969993     -0.05934855      0.05242665
+C      3.32834522      1.03588985      0.63119532
+C      4.01186349     -0.05954288      1.49549893
+N      3.02129263     -1.02131340      0.98614513
+C      3.07801047     -2.37836923      0.98327704
+O      3.87312536     -3.04881792      1.63836965
+H      0.32147931     -0.75895981     -0.05115070
+H      0.53556401      0.97066236     -0.39685910
+H      0.64854771      0.37568516      1.28347175
+H      2.60750841     -0.30377198     -0.99976375
+H      2.79889769      1.80003486      1.21432549
+H      3.97736875      1.52481329     -0.10393724
+H      5.04115881     -0.31942379      1.20527333
+H      3.97404938      0.08008632      2.58521028
+H      2.29746759     -2.82665481      0.32190954 
+
+12
+-1378.3765270366807 10.878026 10.52189 -8.2532 -6.3157 -8.622 -0.3789 -1.9893 -0.819 8.23674 1.33381 3.8871098832 6.0560093798 0.337159816
+C      1.01093169      0.02504873     -0.15679334
+C      2.33839488     -0.08042195      0.05081494
+C      3.19936983     -1.24219696      0.19726625
+C      4.46667857     -0.79244188      0.38991609
+N      4.50985373      0.60556513      0.38178363
+C      3.23350043      1.14063504      0.17723757
+O      2.95181712      2.32966476      0.12056376
+H      0.55527445      1.01293790     -0.23805038
+H      0.37046192     -0.85275918     -0.24692355
+H      2.89243166     -2.28263554      0.16074635
+H      5.38090652     -1.36102562      0.53850557
+H      5.33697920      1.17952958      0.50432310 
+
+14
+-1515.9301541281925 10.678614 11.06033 -9.1899 -7.2589 -9.929 0.5112 -1.1394 -0.246 9.47487 0.77315 4.1064039214 5.5632394214 0.374180441
+C      1.03684898     -0.06156156      0.18456989
+C      2.35489687      0.05206735     -0.01107585
+C      3.21846709      1.28756407     -0.07479914
+C      4.52695258      0.80306787     -0.74734802
+N      4.48576753     -0.64055285     -0.54148054
+C      3.23546109     -1.14649961     -0.24224558
+O      2.93202040     -2.33374577     -0.18414787
+H      0.58669035     -1.05576740      0.20687257
+H      0.39065317      0.80607615      0.32497471
+H      3.43457410      1.64459667      0.94471783
+H      2.75173459      2.11542792     -0.62425461
+H      4.53613063      1.05347187     -1.82263018
+H      5.42206064      1.24459304     -0.28598990
+H      5.21170198     -1.26722774     -0.87771331 
+
+12
+-1364.6522249465384 9.984826 10.33663 -9.8084 -7.7916 -9.882 -1.3896 -3.1984 -1.737 9.29325 2.08031 3.0207205124 6.8246481882 0.741156711
+C      0.93272495      0.01620603     -0.00561621
+C      2.41425268      0.08416303     -0.00244460
+C      3.27724078      1.11642106      0.00224539
+C      4.65000935      0.52610426      0.00305122
+N      4.70125918     -0.76748822     -0.00075987
+C      3.29953466     -1.16700143     -0.00427086
+O      2.91563683     -2.31537504     -0.00802275
+H      0.47683428      1.01345114      0.00002804
+H      0.57153614     -0.54660378      0.86873486
+H      0.57479310     -0.53485016     -0.88879815
+H      3.05716600      2.18290006      0.00500668
+H      5.56522205      1.12622306      0.00644625 
+
+14
+-1522.8744773914984 10.545344 11.09383 -9.2047 -7.2799 -9.691 0.787 -0.8215 -0.213 9.18414 0.71719 4.1864988774 5.3459911522 0.303333196
+C      0.98657303      0.04166896      0.03977296
+C      2.47162967     -0.05120807     -0.02429543
+C      3.27736157     -1.12871198     -0.05937725
+C      4.72178946     -0.71623620     -0.11953757
+N      4.63120437      0.72738645     -0.11427230
+C      3.32636591      1.18561434     -0.06009079
+O      2.96126318      2.35827901     -0.04572259
+H      0.51669510     -0.94960333      0.02620937
+H      0.60290110      0.63278030     -0.80488978
+H      0.67419686      0.57242123      0.95161334
+H      2.97408614     -2.17512486     -0.04762522
+H      5.28991470     -1.10013462      0.74757728
+H      5.21536119     -1.09829449     -1.03187874
+H      5.42298771      1.35942325     -0.14957329 
+
+18
+-1746.08354447416 11.301481 12.6389 -8.5582 -6.4146 -9.891 0.834 -0.1137 2.903 9.50739 -2.55524 7.8640848192 9.7059836394 0.121144028
+C      0.83489853      0.04827456     -0.22358529
+C      2.31147610     -0.02836011      0.10625499
+C      2.62884552     -0.06068824      1.58801377
+C      3.25543532     -0.81531752     -0.82827440
+N      2.88354658     -1.53933168     -2.02474461
+C      3.27376771      0.68929774     -0.81872684
+O      4.35067032      1.40747735     -0.25451026
+H      0.64567209      0.04938394     -1.30668262
+H      0.39058387      0.96607128      0.19225629
+H      0.29161545     -0.80928474      0.20544403
+H      3.71121929     -0.07807619      1.76802474
+H      2.17991821     -0.94918546      2.05942940
+H      2.22672291      0.83015171      2.09634185
+H      4.09808369     -1.27423003     -0.29969913
+H      2.31287282     -0.95939402     -2.64200663
+H      2.32310085     -2.36376508     -1.79201829
+H      2.81209721      1.18209074     -1.68760611
+H      5.12230353      1.27976576     -0.83423090 
+
+16
+-1641.7311906115253 10.676068 11.55798 -9.239 -7.2544 -10.509 0.7912 -0.1049 0.714 9.57788 0.00447 4.4148810894 6.4762351296 0.124054261
+C      0.93804222     -0.02738855      0.21008827
+C      2.43722709      0.03745146     -0.07197408
+C      2.75248685      0.04276125     -1.56578798
+C      3.22959778      1.08738426      0.78052512
+N      3.90791689     -0.04216026      1.43360576
+C      3.25580948     -1.02873150      0.72602689
+O      3.31730583     -2.24314146      0.74352189
+H      0.72957855     -0.02094194      1.28961107
+H      0.51478799     -0.95167873     -0.20852429
+H      0.41569162      0.82598669     -0.24875994
+H      3.83494817      0.09922681     -1.74999551
+H      2.27111262      0.89782022     -2.06462051
+H      2.37927453     -0.87934890     -2.03387855
+H      2.61045467      1.69135210      1.46116201
+H      3.90238068      1.73882296      0.20196138
+H      4.61637501     -0.08841441      2.16467847 
+
+14
+-1517.7223813163603 10.392359 10.87172 -8.4846 -6.4719 -9.046 1.0446 -0.5153 0.404 8.60179 0.27142 4.3648775356 5.7227722076 0.159317367
+C      0.96875909      0.03105816     -0.10126410
+C      2.49466325     -0.06860947      0.03577654
+C      3.13547689     -1.28869371     -0.57628468
+C      4.06282853     -0.89219278     -1.46734122
+N      4.13079975      0.51134858     -1.53198583
+C      3.20650830      1.10345597     -0.67723843
+O      3.01376268      2.30371502     -0.54502433
+H      0.62515217      1.00984563      0.25938884
+H      0.47351351     -0.75547213      0.48406313
+H      0.66511765     -0.07873941     -1.15165049
+H      2.75936952      0.01277536      1.10621600
+H      2.88987353     -2.31791327     -0.33042621
+H      4.72107477     -1.49137476     -2.09205797
+H      4.72301036      1.04964681     -2.15681123 
+
+18
+-1751.5201496153752 11.168632 12.31158 -8.9701 -6.8187 -10.268 0.8264 -0.235 2.733 9.71778 -2.49173 8.131249852 13.3665463034 0.096767314
+C      0.90873487     -0.00396739      0.03381283
+C      2.42830394      0.00450135      0.03303507
+C      3.20197651      1.04289790      0.90107218
+C      4.25380973     -0.04156375      1.25531878
+N      5.46568886      0.07778530      0.44792461
+C      3.19133435     -1.10846498      0.80504751
+O      3.61752457     -2.28392405      0.13967431
+H      0.51842052     -0.88443241     -0.49817876
+H      0.49609128      0.89259931     -0.45324123
+H      0.51998344     -0.03297652      1.06410102
+H      2.80105246      0.03900940     -1.00621028
+H      2.62064980      1.35455330      1.78113947
+H      3.59239998      1.94005820      0.40080139
+H      4.56050109     -0.10423360      2.30999623
+H      5.25675436      0.22809520     -0.54229518
+H      6.04699231     -0.76036827      0.52698198
+H      2.59962004     -1.44955331      1.67019976
+H      4.27543190     -2.00673569     -0.52685971 
+
+16
+-1659.487652038355 10.523184 11.46392 -9.0996 -7.1191 -10.503 0.7957 -0.1564 0.656 9.55237 0.04579 4.3620010604 6.403132984 0.131004205
+C      0.96073822     -0.02160875      0.04188000
+C      2.48426696      0.03760823      0.03905489
+C      3.12281635      1.18930109      0.83372373
+C      4.49000634      0.63261257      1.27862426
+N      4.21722243     -0.79675770      1.38132424
+C      3.13614834     -1.22101640      0.64273846
+O      2.78138012     -2.38415048      0.48867063
+H      0.61722628     -0.94597261     -0.44164712
+H      0.52855386      0.83604563     -0.49275019
+H      0.57233931     -0.01532774      1.07138484
+H      2.84142253      0.06851654     -1.00777455
+H      2.50749440      1.40157878      1.72249706
+H      3.22065474      2.11958289      0.25909307
+H      5.27462035      0.84104424      0.52819675
+H      4.82057334      1.04677827      2.24207184
+H      4.89425643     -1.47399455      1.72205207 
+
+14
+-1504.611786413062 10.913434 11.58532 -7.6534 -5.6704 -7.879 0.8721 -0.0532 0.664 7.34545 -0.11262 4.341431783 6.2044578176 0.417455067
+C      0.97671637     -0.04372411      0.01511202
+C      2.45546164      0.10144900     -0.00914340
+C      3.29082989      1.18546770     -0.06518061
+C      4.63757889      0.67965857     -0.06055005
+N      5.80085015      1.46108516     -0.19321329
+C      4.52598865     -0.68585984     -0.00169185
+O      3.19103310     -1.05387951      0.02338304
+H      0.50539209      0.94601774     -0.01458146
+H      0.63759376     -0.56038445      0.92610256
+H      0.61625642     -0.62321002     -0.84861760
+H      2.98595721      2.22714997     -0.11672256
+H      5.74768761      2.32974929      0.33779591
+H      6.64562614      0.95803535      0.07458941
+H      5.24358809     -1.49773483      0.01397788 
+
+16
+-1627.1570077186673 11.119832 11.90594 -8.3362 -6.2808 -8.753 0.9099 -0.0734 1.307 8.22427 -0.69925 5.7674815592 5.7674815592 0.249127969
+C      1.04167744      0.08830315     -0.00081515
+C      2.52063162     -0.05727802     -0.07699839
+C      3.30430921     -1.15102987     -0.10587823
+C      4.75407393     -0.73369423     -0.04542721
+N      5.34708532     -1.12103132      1.24552975
+C      4.60592640      0.78216950     -0.35657881
+O      3.21501612      1.13705249     -0.10802626
+H      0.56128679     -0.89525121      0.05465120
+H      0.65632719      0.62580811     -0.88009636
+H      0.75905098      0.67249161      0.88792909
+H      2.96139355     -2.18017028     -0.05176964
+H      5.36710614     -1.21151589     -0.82760491
+H      4.81932171     -0.69010487      2.00978869
+H      6.31245544     -0.78712328      1.31271415
+H      4.81376847      0.99394550     -1.41854410
+H      5.23641969      1.42133860      0.27736619 
+
+18
+-1743.0358391554616 11.179548 12.60952 -9.3418 -7.0098 -10.64 0.8686 -0.0818 2.632 10.01362 -2.31264 8.6959936834 10.804450005 0.1507537
+C      0.84650063      0.14063219     -0.46158758
+C      2.25245400     -0.09171707      0.05094546
+C      2.46096207     -0.09093589      1.55592793
+C      2.21907596      1.27033060      2.21624448
+N      2.57067286      1.20455984      3.64370171
+C      3.21170552     -0.82273378     -0.80043803
+O      3.28793104      0.61221968     -0.69350669
+H      0.82791464      0.11302552     -1.55867100
+H      0.46412200      1.11958316     -0.13915346
+H      0.16248508     -0.63233596     -0.07958346
+H      3.49250162     -0.39940665      1.78209317
+H      1.79162394     -0.84657081      2.00623935
+H      1.17766670      1.60056648      2.02906080
+H      2.88161812      2.00944416      1.73922922
+H      1.90104586      0.60952008      4.13956488
+H      2.48871724      2.13283822      4.06433368
+H      2.88693733     -1.20048972     -1.77713233
+H      4.03919538     -1.36999006     -0.33445813 
+
+18
+-1761.9874751239315 11.03945 12.12209 -9.0386 -6.8472 -10.449 0.9049 -0.059 2.995 9.87377 -2.71875 8.3844044668 10.788703783 0.18134912
+C      1.04705207     -0.12878700      0.17442043
+C      2.53165358      0.09741192     -0.07797822
+C      3.15819112      1.22379367      0.77158252
+C      4.53147321      0.66295875      1.17948859
+N      5.54301523      0.96936152      0.15622404
+C      4.17042323     -0.82311554      1.32959266
+O      3.28972825     -1.10823867      0.23335526
+H      0.67727506     -0.97547094     -0.41961884
+H      0.46954485      0.76582862     -0.10343241
+H      0.86333433     -0.34360273      1.23759643
+H      2.68804789      0.29035933     -1.15510668
+H      2.54536891      1.40334239      1.66854495
+H      3.25609128      2.16930114      0.22314305
+H      4.87402014      1.09322362      2.13337638
+H      5.30087297      0.48013797     -0.71146342
+H      6.44736195      0.58721093      0.44582028
+H      5.03734976     -1.49563267      1.24718292
+H      3.66912617     -1.01053230      2.30133205 
+
+14
+-1508.550251646409 10.832481 11.33208 -7.3787 -5.4096 -7.765 0.5717 -0.4534 0.983 7.25942 -0.40185 4.5659952262 6.1446593698 0.42692323
+C      0.88959594      0.00706699     -0.00307130
+C      2.38797966     -0.00877250     -0.00350399
+C      3.21787133      1.09660262     -0.00252933
+O      2.84201415      2.41686752     -0.00097992
+N      4.53268107      0.67971557     -0.00390494
+C      4.56520658     -0.71160706     -0.00575861
+C      3.25861722     -1.14934689     -0.00563341
+H      0.50959923      1.03706760      0.00997764
+H      0.47832902     -0.51090765      0.87749084
+H      0.47744745     -0.48851667     -0.89612811
+H      3.62844351      2.98689297      0.00253570
+H      5.34857335      1.28033710     -0.00351671
+H      5.50814404     -1.24588992     -0.00675086
+H      2.94261747     -2.18912968     -0.00674699 
+
+13
+-1348.3067212672913 10.152383 10.51688 -8.7381 -6.8267 -9.028 0.9215 -0.0582 0.341 8.3064 0.2235 4.9554476508 6.3838035666 0.314280515
+C      0.85679843      0.10963053      0.09243200
+C      2.34467145      0.12821240      0.01898033
+C      3.29475208      1.15853375      0.00782251
+C      4.54575723      0.52375249     -0.07909381
+N      4.41658041     -0.82197611     -0.12036155
+N      3.09748723     -0.99887764     -0.05966734
+O      2.57487206     -2.28559197     -0.07762821
+H      0.47524402      1.13715997      0.10924342
+H      0.50265193     -0.40435469      0.99868639
+H      0.41772371     -0.40813633     -0.77318660
+H      3.08330832      2.22176314      0.05639434
+H      5.53846004      0.96217827     -0.11551915
+H      3.39001311     -2.82551382     -0.16131234 
+
+13
+-1368.8731465398641 10.137315 10.78203 -8.6889 -6.7891 -9.232 1.4375 -0.1575 0.085 8.55811 0.46357 4.8981165244 12.2640627914 0.272916528
+C      0.97401443     -0.05415137      0.01210163
+C      2.44986771      0.12644398     -0.00103396
+C      3.26090077      1.22468498     -0.06382713
+C      4.58261033      0.68079350     -0.05082635
+N      5.77761551      1.38123295     -0.18396162
+N      4.57771670     -0.64295859      0.02613300
+O      3.20277445     -1.00036979      0.04548502
+H      0.47437170      0.92124838      0.01397151
+H      0.65555773     -0.61436746      0.90289342
+H      0.64039369     -0.61681907     -0.87197833
+H      2.96307396      2.26559563     -0.13190745
+H      5.80011746      2.25820475      0.33156559
+H      6.58930555      0.80365210      0.03244469 
+
+15
+-1478.8426312302538 10.491902 11.19187 -8.633 -6.722 -10.336 1.2272 -0.104 0.773 9.65586 -0.15562 4.9476117356 6.5699313498 0.175032689
+C      0.99528597     -0.06953784      0.09922840
+C      2.50396593      0.03538509      0.03283330
+C      3.14849357      1.20620666      0.77949202
+C      4.48990944      0.63828442      1.20002638
+N      5.46181969      1.31845212      1.68282021
+N      4.45529826     -0.73728480      0.88546962
+O      3.06546625     -1.13139279      0.68862161
+H      0.64926925     -0.99406086     -0.38211743
+H      0.53887252      0.77991298     -0.42711801
+H      0.64983202     -0.06378438      1.14248452
+H      2.85012270      0.03376970     -1.01938006
+H      2.57801741      1.46230763      1.68684052
+H      3.26832839      2.11415860      0.17691982
+H      6.26927913      0.71865846      1.90559683
+H      4.82461945     -1.36527500      1.60324227 
+
+14
+-1473.4635580955933 10.996131 11.38765 -8.1234 -6.1578 -8.115 0.7949 -0.2934 0.897 7.56495 -0.31711 4.7932615642 6.1181015686 0.432545877
+C      0.90705354      0.00038293      0.00254937
+C      2.40703756      0.01764687     -0.02397490
+C      3.21276417      1.14472499     -0.12530132
+N      4.51794496      0.70778681     -0.10633905
+O      5.62558035      1.53987130     -0.27326375
+C      4.58757556     -0.65964990     -0.02000293
+C      3.27847458     -1.11250891      0.04198232
+H      0.49614174      1.01671597     -0.06808711
+H      0.52394094     -0.44941414      0.93159860
+H      0.49624871     -0.58314095     -0.83586970
+H      2.98134298      2.20027391     -0.21744274
+H      5.87951507      1.79970178      0.63607301
+H      5.54422470     -1.16941210     -0.01889244
+H      2.97964514     -2.15426857      0.12253063 
+
+14
+-1461.2750687969071 10.781344 10.9843 -8.714 -6.7015 -9.023 0.1705 -1.4649 -0.268 8.45372 0.83769 4.4574578818 6.7526743152 0.314091336
+C      0.91994819      0.02053350      0.14059585
+C      2.40443365      0.08459987      0.00273068
+C      3.16045121      1.19996681      0.07442494
+C      4.60231639      1.06197896     -0.01133571
+N      5.25504551     -0.04212389      0.20026114
+O      4.44864772     -1.17897573      0.41296160
+C      3.18297185     -1.17197657     -0.28804788
+H      0.63544165     -0.62568585      0.98703444
+H      0.45845571     -0.42221046     -0.75832440
+H      0.48234741      1.01478566      0.29870473
+H      2.73168876      2.18832014      0.25091956
+H      5.24856290      1.93163781     -0.15265436
+H      2.67259276     -2.07695105      0.06959702
+H      3.37185629     -1.27998920     -1.37696763 
+
+13
+-1347.638899712239 10.202972 10.64565 -8.607 -6.6572 -9.164 0.9945 0.0414 0.315 8.63297 0.22159 4.8889663576 6.3496082278 0.250328718
+C      1.05497821      0.12987150      0.08504974
+C      2.53432472     -0.07397358     -0.00209435
+N      3.38095505      0.97480280      0.16052826
+N      4.58985549      0.42812382      0.05666973
+O      5.71725982      1.23303596      0.14618198
+C      4.60712411     -0.90237648     -0.17214659
+C      3.25886997     -1.26553700     -0.21480736
+H      0.78753182      1.14513135     -0.23434388
+H      0.68985142     -0.00431270      1.11489339
+H      0.52356348     -0.58752495     -0.55385089
+H      5.31571706      2.11005474      0.32913254
+H      5.53382710     -1.45244325     -0.28594962
+H      2.86549174     -2.26356221     -0.37861295 
+
+13
+-1350.6619170219665 10.731867 10.77047 -8.2564 -6.3771 -8.935 0.7728 -0.8056 -0.132 8.31238 0.65968 4.7254288236 4.8273825114 0.400501266
+C      0.94222196     -0.03999975      0.02740711
+C      2.42876013      0.07580452      0.05366010
+C      3.24438957      1.15668585     -0.00420696
+C      4.62154093      0.69478183      0.02962436
+N      5.78396440      1.22664063      0.01171614
+O      4.56661838     -0.71372156      0.11092422
+N      3.18990431     -1.08073171      0.23489380
+H      0.48605401      0.94794675     -0.09917360
+H      0.56987837     -0.48321992      0.96208659
+H      0.60532456     -0.68170734     -0.80144948
+H      2.94289812      2.19765419     -0.05046234
+H      5.69956974      2.24675285     -0.02397123
+H      3.02637552     -1.83823633     -0.43817870 
+
+14
+-1478.5873468738728 9.923112 11.11712 -10.2696 -8.1516 -11.725 1.3064 -0.1937 1.362 11.24534 -0.93161 5.3675523176 12.5093938896 0.158933375
+C      0.97978860     -0.07410230      0.15787670
+C      2.47912390      0.07567378     -0.04764976
+C      3.23591937      1.15047379      0.78749757
+C      4.11090674     -0.02149508      1.25987504
+O      3.23839931     -0.99475241      0.60099408
+C      2.80544844      0.14041274     -1.48611287
+N      3.06613488      0.20800030     -2.62148407
+H      0.76346389     -0.11031919      1.23301262
+H      0.62498904     -1.00205205     -0.30947913
+H      0.44397757      0.77184814     -0.29441349
+H      2.59956547      1.58621161      1.56706047
+H      3.73178993      1.94407823      0.21885401
+H      5.12455051     -0.04126147      0.82899015
+H      4.16238237     -0.20315608      2.34301867 
+
+14
+-1479.1276900430462 10.058022 11.38624 -10.2983 -8.1887 -11.743 1.4137 -0.3161 1.314 11.34034 -0.90879 5.380124498 12.5530121644 0.223572944
+C      0.96975709     -0.05681587      0.15848842
+C      2.44574014      0.14089861     -0.08390003
+C      3.22130915      1.14635879      0.79468286
+C      4.13958336     -0.05447150      1.12795279
+O      3.25727168     -0.97748660      0.43773507
+C      5.48122725      0.00274896      0.53499380
+N      6.54830507      0.06523422      0.06702744
+H      0.60938237     -0.94857496     -0.37332050
+H      0.40744440      0.81192667     -0.21564887
+H      0.75961511     -0.18008331      1.23033780
+H      2.65431243      0.26892786     -1.16049737
+H      2.65671886      1.49937390      1.66632783
+H      3.69523819      1.99116745      0.28389930
+H      4.24049489     -0.31036420      2.19556147 
+
+14
+-1505.418596442224 10.909244 11.33659 -7.4746 -5.4891 -7.684 0.7819 -0.1893 0.684 7.21266 -0.10246 4.1741622704 6.6047218214 0.38977649
+C      0.87176042     -0.04944072     -0.02745340
+C      2.36890319     -0.01524914     -0.00012630
+C      3.17769442      1.09171470      0.10338633
+N      2.92304678      2.44928319      0.30022246
+O      4.50116725      0.74336835      0.10093864
+C      4.54228481     -0.63676257     -0.01289667
+C      3.27614263     -1.13378829     -0.06733317
+H      0.44755194      0.90645470     -0.37134265
+H      0.43907775     -0.25928231      0.96433401
+H      0.50655402     -0.82648021     -0.71420770
+H      3.53089357      3.04913493     -0.25910394
+H      1.94697189      2.68042786      0.12460349
+H      5.53347154     -1.07167124     -0.05124365
+H      3.00378979     -2.18183925     -0.15869748 
+
+18
+-1749.874024321444 11.186092 12.32695 -8.7854 -6.6182 -10.167 0.8388 -0.1374 2.753 9.57836 -2.5105 8.0686865164 10.8176669126 0.069354794
+C      0.90473973      0.01253002      0.02427670
+C      2.42354875      0.00203038      0.02204514
+C      3.19743403      1.02927248      0.89952208
+C      4.24906721     -0.06181247      1.21687066
+O      5.38948506     -0.03884877      0.34494819
+C      3.18624419     -1.12610858      0.80852657
+N      3.69962942     -2.34331223      0.22162910
+H      0.49658726     -0.85017081     -0.52530838
+H      0.50172446      0.92261919     -0.44627389
+H      0.51536017     -0.03103202      1.05399766
+H      2.79957210      0.03315639     -1.01569622
+H      2.62489258      1.31044421      1.79656479
+H      3.57319627      1.95011881      0.42763445
+H      4.64811936     -0.12654356      2.23880168
+H      5.17419612      0.52326176     -0.41924372
+H      2.58783740     -1.37995874      1.70264749
+H      4.41136584     -2.11111387     -0.47642397
+H      2.96218004     -2.88077221     -0.23748834 
+
+12
+-1358.4835079853337 10.274598 10.5718 -9.5626 -7.5558 -9.59 -1.4321 -3.2543 -1.889 9.01594 2.2366 2.7688057576 6.7774591166 0.697161582
+C      1.02283449      0.04640892      0.00592596
+C      2.49266203     -0.11325304      0.00387661
+C      3.26682202     -1.22015596     -0.00075791
+C      4.66700502     -0.75191535     -0.00061116
+O      5.71629696     -1.37590826     -0.00363243
+C      4.51475273      0.78278183      0.00538376
+N      3.28389192      1.14038367      0.00765007
+H      0.50094744     -0.91681789      0.00172150
+H      0.71251489      0.63846691     -0.86988289
+H      0.71403196      0.62982036      0.88808460
+H      2.95651859     -2.26029164     -0.00421228
+H      5.34976194      1.48740045      0.00710416 
+
+18
+-1742.6079544980785 11.068713 12.20565 -9.3731 -7.3112 -10.856 0.9044 -0.0709 2.653 10.22548 -2.33262 8.4607178498 11.4132708594 0.15569297
+C      0.77147720      0.28876199     -0.51004587
+C      2.18600913      0.00890439     -0.04177352
+C      2.43956959      0.13647361      1.45477460
+C      1.63958989     -0.83746903      2.32397723
+O      1.97448175     -2.21002660      2.09441402
+C      3.04199819     -0.93705629     -0.82689158
+N      3.22729853      0.52737483     -0.96073888
+H      0.72277647      0.24893588     -1.60559497
+H      0.45172007      1.29385618     -0.19377510
+H      0.05270630     -0.43900133     -0.10432934
+H      2.19220630      1.16598322      1.77138101
+H      3.51348553     -0.01812403      1.65575106
+H      0.55434798     -0.66949587      2.18630901
+H      1.86315634     -0.65422706      3.38514756
+H      1.87282777     -2.37465918      1.13990773
+H      2.63763654     -1.42490702     -1.71807976
+H      3.80115511     -1.51161941     -0.28890656
+H      4.04888730      0.80914571     -0.41347661 
+
+16
+-1638.8208610635243 10.662184 11.64608 -9.1192 -6.9977 -10.513 1.0526 -0.7304 0.337 9.60939 0.41481 3.7475884374 12.7387307938 0.263508017
+C      1.00771389     -0.02773998     -0.05619863
+C      2.52289161     -0.01397707      0.08299152
+C      3.10143517      1.18514878      0.84495285
+C      4.42499832      0.66159229      1.39601010
+O      5.34364439      1.31753057      1.84665137
+C      4.39798507     -0.86295889      1.24895384
+N      3.00415744     -1.14804880      0.90432162
+H      0.66685040     -0.93833336     -0.57169200
+H      0.66062250      0.83529699     -0.64209937
+H      0.53408559      0.00124207      0.93574699
+H      2.97797000     -0.02292834     -0.93380443
+H      2.45921635      1.43604839      1.70722903
+H      3.24721991      2.09505815      0.24975358
+H      5.13915838     -1.11864765      0.46002579
+H      4.71749896     -1.35369051      2.17979435
+H      2.89657204     -2.03765266      0.41472340 
+
+18
+-1763.2126379566946 11.155996 12.22315 -8.8551 -6.7497 -10.241 0.8288 -0.1488 2.935 9.48258 -2.67026 8.1736654626 10.3854145208 0.119975166
+C      0.93808830     -0.05261952      0.02132935
+C      2.45860952     -0.08809966      0.08313523
+C      3.11664001      1.15725835      0.70228757
+C      4.47062073      0.65775195      1.27825915
+O      5.63430060      1.22361214      0.66568612
+C      4.38927221     -0.88249502      1.12192417
+N      2.95655952     -1.14350029      0.98274254
+H      0.53256653     -0.98674841     -0.39626069
+H      0.59243198      0.77365181     -0.61650472
+H      0.52110808      0.08163941      1.03019981
+H      2.85552199     -0.21929796     -0.95193981
+H      2.47803225      1.54318066      1.51142959
+H      3.27533006      1.97094481     -0.01875808
+H      4.56622499      0.93747058      2.33626791
+H      5.64509654      0.93531259     -0.26568275
+H      4.97850304     -1.15668749      0.21606424
+H      4.81856469     -1.42614788      1.97569008
+H      2.76727897     -2.08050607      0.62015029 
+
+14
+-1511.0950843665744 10.877437 11.44211 -7.4632 -5.4992 -7.796 0.7955 -0.0885 0.977 7.31213 -0.36836 4.6006493132 6.0814389084 0.404721838
+C      0.95982912     -0.02107871     -0.00850908
+C      2.45079922      0.05514517      0.00011699
+C      3.30229971      1.15490912      0.00505694
+C      4.63896731      0.66112566      0.01122088
+O      5.81310411      1.38269855      0.01769380
+C      4.59004300     -0.72099635      0.01000707
+N      3.24512055     -1.06716682      0.00320713
+H      0.53600855      0.99075337     -0.00053243
+H      0.56559696     -0.55085118      0.87382488
+H      0.57466432     -0.53313530     -0.90525062
+H      2.98800941      2.19587738      0.00424404
+H      5.58307553      2.32686360      0.01729823
+H      5.38022020     -1.46174517      0.01385806
+H      2.89864200     -2.01902931      0.00093411 
+
+16
+-1607.868273397861 11.075947 12.13134 -9.3379 -7.2632 -10.789 0.8369 -1.0287 -0.107 9.95138 0.74702 3.660128713 12.6570984114 0.184115092
+C      1.02824516     -0.11008000      0.08580137
+C      2.53423561     -0.06055079     -0.00874712
+C      3.34785182     -0.70089407     -1.12369650
+C      2.70158997     -1.39735807     -2.26566372
+O      3.03018894     -2.50675157     -2.65321985
+N      3.15439309      0.75926833     -1.03046196
+C      4.33893292      1.52338123     -0.64293901
+H      0.66532367      0.70088475      0.73445826
+H      0.69583777     -1.06412879      0.51957871
+H      0.56029275      0.01020744     -0.89860506
+H      3.05802234     -0.10334346      0.95769069
+H      4.31220176     -1.12510744     -0.81875415
+H      1.87565002     -0.82558881     -2.75787703
+H      4.01750403      2.49153187     -0.23324445
+H      4.95431257      1.71178231     -1.53354040
+H      4.96190760      1.00925708      0.11561023 
+
+18
+-1738.8475153638578 11.343707 12.63571 -9.0948 -7.0464 -10.54 0.927 0.0444 2.883 9.8468 -2.57052 8.3079794964 11.3884984566 0.226464826
+C      0.95940135      0.14501082     -0.15898826
+C      2.45721210     -0.00081451     -0.03655912
+C      3.31664734     -0.89007549     -0.88948790
+C      2.81869957     -1.70519046     -2.06054223
+O      3.67257734     -1.55174065     -3.20071789
+N      3.30941671      0.57171299     -1.08661796
+C      4.50261601      1.28342561     -0.63061544
+H      0.64000060      1.12274625      0.23141232
+H      0.44192346     -0.63391044      0.42061715
+H      0.63093970      0.08054339     -1.20329523
+H      2.83744025      0.12208132      0.98727015
+H      4.20992167     -1.29598054     -0.39684898
+H      1.78024464     -1.42930559     -2.31245153
+H      2.83176566     -2.77677742     -1.81135146
+H      3.71733559     -0.58980242     -3.36014310
+H      4.24575464      2.33505562     -0.43651862
+H      5.26878418      1.25614279     -1.41893165
+H      4.94003919      0.85314874      0.29260974 
+
+16
+-1639.6596466808091 10.848682 11.84574 -8.9997 -7.082 -10.026 0.7559 -0.172 0.716 9.57519 0.00569000000002 4.4802589072 5.9520347202 0.147025026
+C      0.93965492      0.03907221      0.10050911
+C      2.45917589     -0.00617211      0.05832581
+C      3.23675082      1.10812024      0.81996857
+C      3.83411689     -0.03642579      1.66971043
+O      4.64081246     -0.13707900      2.57717662
+N      3.09199846     -0.97464553      0.98098711
+C      3.07426149     -2.41693034      1.03823766
+H      0.50018450     -0.89686776     -0.27476225
+H      0.56543311      0.85693346     -0.53195786
+H      0.58159337      0.20155726      1.12784426
+H      2.81561486     -0.14193041     -0.97891979
+H      2.60802030      1.80734072      1.38663718
+H      3.97802817      1.66204666      0.23084040
+H      2.05721881     -2.80065864      1.21373581
+H      3.71538500     -2.72293133      1.87516581
+H      3.46718094     -2.86245962      0.10926113 
+
+15
+-1499.2181325275872 10.406312 11.21276 -9.1593 -7.3106 -10.203 0.8503 -0.1879 0.534 9.72624 0.1621 4.4093637124 12.3765552892 0.158639981
+C      0.88007229      0.14476509      0.05150786
+C      2.39277797      0.03037544      0.07041532
+C      3.21601975      1.07856157      0.87518736
+C      3.79072769     -0.11547321      1.67347970
+O      4.66344354     -0.30264779      2.50077838
+N      2.93826280     -0.98296773      1.01006410
+N      2.93746554     -2.37759581      0.87085456
+H      0.42768326     -0.77983484     -0.33478613
+H      0.56396946      0.97198934     -0.60026532
+H      0.48824038      0.32755638      1.06298025
+H      2.79128938     -0.11771722     -0.94803760
+H      2.62087793      1.77563243      1.47868438
+H      3.97342885      1.62538159      0.30086326
+H      2.49515938     -2.79065507      1.69777717
+H      3.91175179     -2.70028015      0.85811672 
+
+14
+-1415.3840704765323 9.804988 10.60486 -9.2762 -7.3424 -10.51 0.8509 -0.3803 0.309 9.90137 0.37702 4.2782361188 12.7680658814 0.215518737
+C      0.87401671      0.06645895      0.14288282
+C      2.38583369      0.07042281      0.03310814
+C      3.21238870      1.08959500      0.86579317
+C      4.01374015     -0.12037251      1.41140437
+O      5.02342043     -0.29812463      2.05472396
+N      3.08428516     -0.97764580      0.82145443
+O      3.29824105     -2.29602126      0.38757978
+H      0.45120411     -0.84006517     -0.31379651
+H      0.44835938      0.93283564     -0.38333274
+H      0.55810842      0.10731259      1.19538039
+H      2.71388323      0.05064558     -1.01978608
+H      2.64711814      1.64078770      1.62710101
+H      3.83536611      1.77405145      0.27822521
+H      2.81749472     -2.84841035      1.03520204 
+
+14
+-1460.017848645163 11.172722 10.97412 -8.8414 -6.9026 -9.401 0.1176 -1.5036 -0.525 8.82127 1.0206 4.7009539872 5.210821615 0.509589853
+C      0.89441018     -0.06659373     -0.23386042
+C      2.21430663      0.04208608      0.01334385
+C      2.92634763      1.33432857      0.32252320
+C      4.34971970      1.20909342     -0.19921087
+O      5.03293276      0.06328309      0.36519554
+N      4.36085147     -1.15990731      0.27495836
+C      3.07983567     -1.12985584      0.05805109
+H      0.24364049      0.80910511     -0.24736126
+H      0.43289255     -1.03787921     -0.42064552
+H      2.41900013      2.19639423     -0.13397562
+H      2.94791043      1.49542011      1.41317823
+H      4.98291517      2.06236459      0.07512511
+H      4.34750544      1.09538454     -1.29843102
+H      2.63729174     -2.12715365     -0.02662067 
+
+14
+-1522.5490042013093 10.670119 11.19655 -9.1279 -7.2221 -9.84 0.6898 -0.8976 -0.193 9.26113 0.73277 4.2178053424 5.420109983 0.336770146
+C      0.98602074      0.03852275      0.06888904
+C      2.47386708     -0.02752546     -0.01912217
+C      3.27414842     -1.10628851     -0.11094736
+C      4.70367764     -0.68998068     -0.17418208
+O      5.70974692     -1.38804236     -0.26115748
+N      4.67009087      0.69707489     -0.11281500
+C      3.32725477      1.22265227     -0.01411940
+H      0.54080642     -0.96377605      0.04506079
+H      0.56386055      0.62245072     -0.76447954
+H      0.66447614      0.53558557      0.99805099
+H      2.97767646     -2.15259637     -0.13893315
+H      5.51492958      1.25672304     -0.13714109
+H      3.06888349      1.88093579     -0.86425198
+H      3.16983092      1.80512439      0.91258844 
+
+12
+-1364.4109184776376 10.111728 10.47966 -9.7749 -7.7803 -10.031 -1.3204 -3.1412 -1.753 9.42133 2.02372 3.0231010436 6.6750094848 0.482577831
+C      0.97011809      0.03755050      0.00515164
+C      2.45198482     -0.08205853      0.00221321
+C      3.25778130     -1.15987599      0.00013150
+C      4.66936401     -0.64915662     -0.00187890
+O      5.69481487     -1.29314069     -0.00413547
+N      4.64105867      0.82700320     -0.00150652
+C      3.38448249      1.10915297      0.00118446
+H      0.47821441     -0.94218787      0.00270207
+H      0.62461861      0.60438978     -0.87429890
+H      0.62775022      0.59822547      0.88979922
+H      3.00235487     -2.21587972      0.00000688
+H      3.02922764      2.14588749      0.00218081 
+
+14
+-1459.7060965099472 10.655509 11.00035 -8.8185 -6.793 -9.085 0.1633 -1.5058 -0.33 8.54037 0.86229 4.4245519974 6.6679422828 0.376581028
+C      0.92569910     -0.06566492     -0.04661201
+C      2.41480427      0.09827927      0.05486553
+C      3.09278030      1.23439669     -0.20414891
+C      4.57707844      1.18110329     -0.01636123
+O      5.10634338     -0.08563195     -0.49533693
+N      4.48146854     -1.21874983      0.04033548
+C      3.23075547     -1.07504861      0.36378395
+H      0.65605089     -0.81209784     -0.80949767
+H      0.44016547      0.88337121     -0.30692048
+H      0.50522467     -0.41693743      0.90889428
+H      2.60165286      2.15368712     -0.53011112
+H      5.11320216      1.93754279     -0.60354411
+H      4.86199770      1.29033871      1.05064354
+H      2.77702674     -1.98579850      0.76494968 
+
+16
+-1601.6836414546824 10.55584 11.23631 -9.1448 -7.0936 -10.309 1.396 -0.2858 0.477 9.85323 0.14154 5.4421918896 6.2293294092 0.143679398
+C      0.95117320      0.00736651      0.00524162
+C      2.49286554     -0.01653216     -0.05509491
+C      2.98369661      0.16197521     -1.49859149
+C      3.08689798     -1.26207193      0.63170102
+O      3.45691567     -0.84122464      1.98150205
+N      3.52919490      0.56640469      1.99751411
+C      3.04884003      1.02347237      0.89766924
+H      0.59531622     -0.16526565      1.03024390
+H      0.53225001     -0.77475751     -0.64610852
+H      0.55768607      0.97635788     -0.33539628
+H      4.08126456      0.18277689     -1.54690060
+H      2.60343238      1.09988483     -1.92933755
+H      2.62611771     -0.66206500     -2.13414441
+H      4.00248435     -1.60883567      0.12253039
+H      2.37858631     -2.09578680      0.72987371
+H      3.00501845      2.10369100      0.75178771 
+
+16
+-1599.3071405102783 10.658076 11.23725 -9.0975 -7.1013 -10.371 1.0646 -0.273 0.505 9.8688 0.11645 5.1043300396 6.4791735978 0.201245477
+C      0.93190481      0.03215910     -0.15325668
+C      2.43912512      0.00647469      0.15086285
+C      3.16177429      1.30220421     -0.24700357
+C      3.58718951      1.18125714     -1.70160676
+O      4.49371291      0.07493287     -1.90212028
+N      4.07054901     -1.16249648     -1.38695796
+C      3.12612166     -1.16223487     -0.50879393
+H      0.43332003      0.80339685      0.45203329
+H      0.46112587     -0.93523085      0.07378621
+H      0.74365388      0.25086608     -1.21453504
+H      2.55363601     -0.15026702      1.23846009
+H      2.50872110      2.17787420     -0.10955913
+H      4.05690724      1.45187339      0.37564931
+H      4.14658641      2.05687070     -2.05665782
+H      2.70864894      1.03121425     -2.35631847
+H      2.85853321     -2.17358425     -0.18266212 
+
+15
+-1508.5479327809078 10.201783 10.9541 -8.6248 -6.6282 -10.343 0.7447 -0.2708 0.439 9.74282 0.23499 4.240817144 12.5226603916 0.144250814
+C      0.98731335     -0.05282697      0.03688498
+C      2.50621959      0.01055957      0.03455400
+C      3.13459130      1.16833160      0.81083485
+C      4.47191088      0.60712615      1.28964041
+O      5.39590307      1.20048531      1.82972492
+N      4.43544278     -0.75541852      1.03234575
+N      3.08420286     -1.19241414      0.71983429
+H      0.62495483     -0.94969182     -0.48684399
+H      0.56630370      0.82447211     -0.47423595
+H      0.60603133     -0.08044544      1.06715429
+H      2.87654509      0.06139064     -1.00884788
+H      2.55060803      1.41397270      1.71399436
+H      3.26499138      2.08686342      0.22764522
+H      4.92316630     -1.35402245      1.69879054
+H      3.19161551     -1.92416216      0.00762422 
+
+13
+-1383.0742123986167 10.29164 10.55764 -8.4443 -6.6391 -9.415 0.8836 -0.731 -0.314 8.87779 0.89381 4.1378715682 12.2798958036 0.356841942
+C      0.97294250     -0.03647515      0.06168783
+C      2.46158849      0.05511171      0.04486126
+C      3.28277535      1.14016860     -0.01810401
+C      4.66506064      0.67419727     -0.06409620
+O      5.73754699      1.27009160     -0.01735325
+N      4.55548257     -0.75023097     -0.16405290
+N      3.21487346     -1.11966159      0.11010222
+H      0.53047837      0.96508721      0.02447278
+H      0.61896697     -0.54285617      0.97146781
+H      0.59709045     -0.60530635     -0.80319722
+H      2.99182055      2.18459068      0.01222141
+H      5.24310883     -1.27818552      0.37524001
+H      2.89419482     -1.87485130     -0.50343974 
+
+12
+-1298.4088437145144 9.557844 9.99305 -9.0834 -7.1967 -10.021 0.7089 -0.9713 -0.656 9.48515 1.2133 4.0713530792 5.1625538652 0.376827473
+C      0.99356490     -0.04355557      0.00907063
+C      2.47113680      0.10278310     -0.01941370
+C      3.29255721      1.18129194     -0.03209239
+C      4.66653970      0.69738539     -0.05283956
+O      5.75196379      1.26057221      0.02580200
+N      4.53081685     -0.71496634     -0.23721241
+O      3.15943631     -1.08085476     -0.06428874
+H      0.52202530      0.93843553      0.12312010
+H      0.68110234     -0.68919535      0.84194080
+H      0.63431376     -0.50294026     -0.92316220
+H      3.00409324      2.22485938      0.01332979
+H      5.10508980     -1.32833526      0.34574568 
+
+14
+-1425.204940503479 9.556088 10.35882 -9.05 -7.1158 -10.922 1.446 -0.251 0.21 10.01659 0.44372 4.260902876 11.5894425668 0.145020875
+C      1.00329687     -0.05581142      0.01117648
+C      2.51064617      0.02791740      0.10289357
+C      3.10311365      1.20702646      0.86748915
+C      4.42792252      0.61890795      1.36290924
+O      5.46903915      1.18740341      1.65548228
+N      4.21903214     -0.74871176      1.43984810
+O      2.97723164     -1.14416329      0.85876364
+H      0.69521979     -1.00303182     -0.45207666
+H      0.61965365      0.76667222     -0.60801455
+H      0.55045801      0.01120422      1.00990291
+H      2.96672198     -0.02416205     -0.90594963
+H      2.48048389      1.49028419      1.73154387
+H      3.29239274      2.09560521      0.25590241
+H      4.97708779     -1.39312074      1.20826919 
+
+12
+-1296.7543173287247 9.276648 9.98739 -8.9484 -6.9771 -9.346 0.6102 -0.4887 -0.186 8.71723 0.73558 4.7364883748 6.6265309588 0.350267137
+C      0.97694515      0.04414389      0.00284331
+C      2.47374266     -0.03936127      0.00340776
+N      3.19360202      1.07134568      0.00229378
+O      4.55509424      0.63428560      0.00442891
+C      4.56002389     -0.70612087      0.00645243
+O      5.79514531     -1.24311767      0.00815723
+C      3.28457552     -1.21114298      0.00599217
+H      0.53306409     -0.95806907     -0.01318082
+H      0.61922642      0.59755879     -0.87557595
+H      0.61682828      0.56962948      0.89742435
+H      5.70919472     -2.21278872      0.00928465
+H      2.97079770     -2.24898284      0.00682219 
+
+12
+-1301.1568795988524 9.619828 9.93573 -8.9344 -7.0662 -9.706 0.5828 -1.0867 -0.671 9.16264 1.24736 4.2796991536 4.7948609836 0.327919579
+C      0.95658642     -0.02740726      0.02771287
+C      2.44477880      0.06656907      0.05616969
+C      3.27385107      1.14271827     -0.01780484
+C      4.64339159      0.67465579     -0.00138926
+O      5.72695738      1.21292672     -0.04547322
+O      4.56246030     -0.75879840      0.10497694
+N      3.19226115     -1.08648149      0.24323340
+H      0.51612201      0.97196878     -0.05668797
+H      0.57707933     -0.50263502      0.94306490
+H      0.61140257     -0.62653153     -0.82876581
+H      2.99642921      2.18862709     -0.07439127
+H      2.99332017     -1.89782201     -0.34876542 
+
+16
+-1591.8200077921913 10.515034 11.72002 -9.4116 -7.2994 -10.865 0.9032 -0.032 2.481 10.35419 -2.11686 8.2886624776 10.5769728908 0.190861063
+C      0.77589476     -0.03300695     -0.46079759
+C      2.23041290     -0.00853552     -0.04904597
+C      3.24438943     -0.77796347     -0.82986255
+N      3.14313492      0.68952708     -0.99208993
+C      2.53974276      0.16830811      1.41154547
+C      1.64411801      0.84301313      2.36902331
+O      1.77358989     -0.59416390      2.36908664
+H      0.69500100     -0.25548436     -1.53157436
+H      0.29952375      0.94282234     -0.28771095
+H      0.22723109     -0.79914283      0.10426545
+H      2.91897088     -1.35458026     -1.69898822
+H      4.10027301     -1.19576998     -0.29241310
+H      3.90023954      1.14451704     -0.46775058
+H      3.61744225      0.19295994      1.63419798
+H      0.67385759      1.22000258      2.03237676
+H      2.07445822      1.35006704      3.23929764 
+
+18
+-1739.6068687560223 11.374478 12.6413 -9.2524 -7.1974 -10.596 0.9029 0.0194 3.153 9.87768 -2.85086 8.5245086468 11.7077376094 0.134370626
+C      0.91016517     -0.00932396     -0.06073384
+C      2.40747547     -0.18437856     -0.09399008
+C      3.14744927     -0.57524063     -1.33267237
+N      3.19497469      0.80879025     -0.83170316
+C      4.46162284      1.23442000     -0.22610929
+C      5.29238006      1.95007390     -1.28698180
+O      4.56894917      3.03542516     -1.86200529
+H      0.61703813      0.72445010      0.70480066
+H      0.41119556     -0.96164012      0.17262708
+H      0.54229248      0.34724764     -1.03227579
+H      2.85968891     -0.53832125      0.84200355
+H      2.60141054     -0.72038745     -2.26833312
+H      4.04796777     -1.18780679     -1.21696929
+H      5.03554423      0.38672602      0.20436592
+H      4.22194019      1.93861242      0.58707931
+H      5.60042326      1.22336098     -2.06551178
+H      6.20599229      2.36691179     -0.83697194
+H      3.65753999      2.69433050     -1.97068877 
+
+16
+-1625.813076726069 10.882122 11.99594 -9.2006 -7.2772 -10.484 1.1115 -0.2423 0.492 9.59278 0.21282 4.1553535942 12.8327617762 0.159676566
+C      1.09566054     -0.25972716      0.15789525
+C      2.55075870     -0.16577135     -0.22490451
+C      3.05663787     -0.57045396     -1.58569423
+N      2.94144797      0.83126607     -1.22627169
+C      4.06571482      1.66515503     -1.12216252
+C      3.97920592      2.68961805     -0.00788133
+O      5.00403403      1.60143389     -1.90630020
+H      0.84057182      0.48187666      0.92876627
+H      0.86778290     -1.25742601      0.56086321
+H      0.45499882     -0.08028457     -0.71579760
+H      3.26588474     -0.31422729      0.59346190
+H      2.33963324     -0.92563352     -2.33008014
+H      4.06901801     -0.97355851     -1.67201410
+H      2.94119144      2.92966931      0.25230644
+H      4.51659581      3.59536115     -0.31001649
+H      4.47647338      2.28949219      0.88894976 
+
+16
+-1604.978804220598 10.89588 12.21416 -9.4506 -7.3349 -10.809 1.0286 -0.9988 0.058 10.01991 0.57302 3.6608974262 11.4872781028 0.129250635
+C      0.75249045     -0.37510259     -0.01014675
+C      2.22008251     -0.51609723     -0.32859372
+C      2.78461766     -0.20994743     -1.67716944
+N      2.98852408      0.71685638     -0.54820666
+C      4.33584576      0.73931857      0.00907884
+C      5.17032612      1.83832217     -0.62622536
+O      6.38610428      1.84954308     -0.63351355
+H      0.60029310     -0.15468193      1.05669540
+H      0.21385849     -1.30492274     -0.24550337
+H      0.30933134      0.44261067     -0.59398826
+H      2.74441799     -1.31000390      0.21938126
+H      2.12992193      0.15903033     -2.47050995
+H      3.64295777     -0.80011569     -2.01534927
+H      4.88880992     -0.21870984     -0.06964704
+H      4.26486231      0.98550063      1.08506941
+H      4.56936629      2.66678951     -1.08110154 
+
+15
+-1454.4599377742759 10.81754 11.34895 -8.4315 -6.4626 -9.876 1.1646 -0.0372 0.651 9.2909 -0.04952 5.6298447006 12.3966534198 0.271200424
+C      1.13544312      0.21634127     -0.24374599
+C      2.55781591     -0.18806063      0.05113783
+C      3.47550796     -0.62881999     -1.04908725
+N      3.70299070      0.64998460     -0.37742278
+C      3.51197433      1.84534242     -1.06533109
+N      3.76872307      1.94521100     -2.32393914
+O      3.64134969      3.30644107     -2.73761423
+H      0.76173811      0.93363103      0.50153284
+H      0.48034784     -0.66694591     -0.21286591
+H      1.04712397      0.67371335     -1.23896348
+H      2.72259234     -0.62658970      1.04076339
+H      3.09212874     -0.58373193     -2.07196561
+H      4.23206938     -1.39348857     -0.86036395
+H      3.22000057      2.70945371     -0.45476531
+H      3.89144428      3.24471828     -3.67595932 
+
+15
+-1514.7534682227813 10.323491 11.29219 -9.2991 -7.344 -10.68 0.8382 -0.1559 0.621 9.76259 -0.00737999999998 4.5932101532 12.3087225486 0.156876728
+C      1.02921200     -0.20474644      0.14830020
+C      2.47941802      0.03813769     -0.17873892
+C      3.14421087     -0.52139493     -1.39569249
+N      2.78680738      0.89485870     -1.34912198
+C      3.85822471      1.82751434     -1.24949479
+N      3.46075516      3.00040300     -0.63768523
+O      4.99423442      1.62761499     -1.66362619
+H      0.60765752      0.63033760      0.72722345
+H      0.92046238     -1.11934262      0.75008068
+H      0.43905232     -0.31996242     -0.77074390
+H      3.14184760      0.18443836      0.68207893
+H      2.55643799     -1.11550195     -2.09971101
+H      4.21060664     -0.75334448     -1.34592205
+H      2.46985722      3.22148924     -0.64652589
+H      4.10208578      3.78020892     -0.74379080 
+
+15
+-1478.8309768169966 10.768068 11.61148 -9.2118 -7.2971 -10.429 0.785 -0.1566 0.456 9.87839 0.12238 4.3785531914 6.1801937574 0.236832149
+C      0.65696666      0.19680218     -0.27743441
+C      1.78971033     -0.79637825     -0.26099029
+C      2.79842557     -0.90186775     -1.36416377
+N      3.15346510     -0.26138626     -0.08292683
+N      3.99917745     -1.01460916      0.75057650
+C      4.94538926     -0.39786969      1.52358028
+O      5.72128146     -0.99728799      2.25852807
+H      0.36280457      0.47311232      0.74535768
+H     -0.22178345     -0.22883537     -0.78409991
+H      0.95383271      1.11140017     -0.80797313
+H      1.59065248     -1.73422775      0.27082518
+H      2.75657429     -0.22383504     -2.22022533
+H      3.22886514     -1.88596499     -1.56830153
+H      3.94739049     -2.03904845      0.76715053
+H      4.91136794      0.70665601      1.39884697 
+
+18
+-1741.5720437755774 11.153584 12.42342 -8.9024 -6.7778 -10.377 0.868 -0.0622 2.776 9.7467 -2.51795 8.2306370296 9.6594516936 0.079697838
+C      0.90038563      0.02108724      0.03233145
+C      2.42040186      0.00797047      0.03990509
+C      3.19678375      1.01638709      0.92265287
+N      4.14972626     -0.05848326      1.38358663
+C      3.17455598     -1.08227779      0.84507931
+C      3.79134327     -2.26290837      0.12816499
+O      4.51265479     -3.12916986      1.01029862
+H      0.49220223     -0.84143597     -0.51546102
+H      0.51162153      0.93096320     -0.44909511
+H      0.50381317     -0.01273493      1.05876171
+H      2.81274594      0.03858835     -0.99200890
+H      2.59896594      1.37693110      1.77600156
+H      3.66692043      1.87986829      0.43112921
+H      4.95241650     -0.03951348      0.74114543
+H      2.56161127     -1.45298318      1.68686391
+H      4.44732566     -1.89625182     -0.68954318
+H      3.00278119     -2.88006911     -0.33180492
+H      5.03516460     -2.56231795      1.60647236 
+
+18
+-1746.367159367227 11.198449 12.51518 -9.4112 -7.2839 -10.87 0.8093 -0.1298 2.652 10.25354 -2.35806 8.4378300342 10.9682107138 0.127383721
+C      0.88588503     -0.01757789     -0.21383618
+C      2.37371732      0.11967125      0.04770661
+C      2.76274158     -0.04172662      1.50357156
+N      3.30810407     -0.50595275     -0.92297070
+C      3.15841146      0.97728065     -0.89857495
+C      4.43138449      1.72155291     -0.56436070
+O      5.44201255      1.46804697     -1.54574680
+H      0.64772103      0.13396707     -1.27682189
+H      0.31495321      0.72253010      0.36760187
+H      0.53042479     -1.01743573      0.08123028
+H      3.85027071     -0.03568348      1.63665149
+H      2.38821417     -1.00436833      1.88386719
+H      2.32553737      0.75809339      2.12003172
+H      2.77873450     -0.88947114     -1.71319067
+H      2.58552058      1.41891540     -1.72220246
+H      4.78999359      1.45124318      0.44406702
+H      4.25314406      2.80732281     -0.57811383
+H      5.48898949      0.49429224     -1.61147956 
+
+16
+-1610.642894077795 10.609577 11.45839 -9.0492 -6.869 -10.497 0.8918 -0.9849 0.016 9.9651 0.65274 3.726647202 12.432138213 0.137572462
+C      0.94043316      0.08209922      0.21485423
+C      2.43520260     -0.02923067     -0.08387993
+C      3.31726053      0.98797891      0.72865177
+N      3.71110978     -0.11426925      1.64194530
+C      3.19469024     -1.13774391      0.68624768
+C      2.69600706      0.06099908     -1.56680568
+O      3.38405512     -0.70308587     -2.21974924
+H      0.77463584      0.12616381      1.29993695
+H      0.39326810     -0.78584854     -0.18248762
+H      0.51122477      0.99111154     -0.23465002
+H      2.76544434      1.80789719      1.21609844
+H      4.14129639      1.41519755      0.12918382
+H      4.71798693     -0.17239637      1.80581690
+H      3.95695713     -1.61646544      0.05021567
+H      2.57129295     -1.91252624      1.15901167
+H      2.20290506      0.94332900     -2.05831993 
+
+18
+-1745.8824024844823 11.297977 12.67801 -8.864 -6.7034 -10.06 0.8204 -0.1203 2.941 9.59952 -2.64704 8.0503117912 11.1355174222 0.282063296
+C      1.02818384     -0.07740322      0.04729381
+C      2.53793063     -0.05113090      0.00656233
+C      3.32994991     -0.70857991     -1.12397984
+N      2.75655218     -1.37404604     -2.27450210
+C      3.27687017      0.79590266     -1.01586288
+C      4.51395997      1.57679928     -0.64969449
+O      5.37976280      1.80546723     -1.76934405
+H      0.62690556      0.80245174      0.57247717
+H      0.66019742     -0.97461675      0.56954100
+H      0.59315379     -0.08338285     -0.96313702
+H      3.01973854     -0.11376718      0.98778614
+H      4.27282222     -1.17011890     -0.80983678
+H      2.05029773     -0.78891098     -2.72368809
+H      2.29240813     -2.24344496     -1.99809965
+H      2.63952801      1.28904990     -1.75870057
+H      5.05185889      1.05425175      0.16585453
+H      4.24777357      2.57839433     -0.27794299
+H      5.50406665      0.94546481     -2.21096652 
+
+18
+-1746.7986211309817 11.250692 12.4114 -8.6367 -6.5052 -10.009 0.7924 -0.1871 2.954 9.56824 -2.59316 7.9633976052 9.8136902776 0.133628981
+C      0.95077687      0.05948675     -0.09835396
+C      2.45086064     -0.03249365      0.05137869
+C      3.33804053     -0.78266448     -0.96617800
+N      2.87576891     -1.41816592     -2.18012943
+C      3.41669948      0.72176002     -0.83204540
+C      2.93890663      1.64804193     -1.92867741
+O      4.53984278      1.23557121     -0.12185240
+H      0.56060085      1.00985625      0.29667021
+H      0.45857770     -0.75637829      0.45299201
+H      0.62851782     -0.02178442     -1.14686658
+H      2.80654422     -0.11968370      1.08163528
+H      4.18295021     -1.30801305     -0.51183794
+H      2.32687952     -0.78017067     -2.75690623
+H      2.27597057     -2.21917055     -1.96688175
+H      2.00866251      1.30840865     -2.40400359
+H      3.70211476      1.74829730     -2.71667552
+H      2.75015272      2.64593395     -1.50745524
+H      5.30893327      1.18289870     -0.71945272 
+
+16
+-1628.5980620967791 10.952345 11.93317 -9.0283 -7.0624 -10.117 0.7371 -0.2099 0.514 9.71331 0.12182 4.399209259 12.8605594374 0.241076356
+C      0.97063092     -0.01122759      0.28732049
+C      2.44486251      0.02825303     -0.07832279
+C      3.32837259      1.06797016      0.68159321
+N      4.15381160     -0.04696479      1.16152784
+C      3.34516345     -1.09881921      0.52407921
+C      5.20983065     -0.06269346      2.01005563
+O      5.72144654      0.93780605      2.50943767
+H      0.46691305     -0.87007220     -0.18051226
+H      0.45627101      0.90090967     -0.04946929
+H      0.83548460     -0.09113802      1.37677466
+H      2.57063599      0.10594031     -1.16726565
+H      2.81746888      1.60917529      1.49425192
+H      3.88041963      1.78961649      0.06171863
+H      3.89671554     -1.71203699     -0.20486823
+H      2.82762467     -1.75768546      1.24097336
+H      5.57228837     -1.10195328      2.20099560 
+
+16
+-1612.9312570726988 10.673139 11.57225 -9.0229 -6.8557 -10.395 0.8778 -1.0374 -0.055 10.03281 0.69904 3.6867609058 7.7988309874 0.153245585
+C      0.83577872      0.07257636      0.28063041
+C      2.31251821     -0.09040609     -0.04557999
+C      3.27233066      0.92842849      0.63036007
+N      3.67855128     -0.10204276      1.63153323
+C      3.06756835     -1.16632439      0.81596096
+C      4.01211081     -2.00817091      0.00029330
+O      5.22594148     -1.89052526      0.01221901
+H      0.25162021     -0.79505975     -0.06041252
+H      0.42581277      0.96625965     -0.21354230
+H      0.68498296      0.18315198      1.36453998
+H      2.45907975     -0.20097322     -1.13043426
+H      2.79040165      1.81223261      1.07864869
+H      4.08486033      1.25994842     -0.03703031
+H      4.69418209     -0.22512061      1.70038739
+H      2.39850681     -1.85475763      1.37092438
+H      3.51231392     -2.77690689     -0.64675805 
+
+18
+-1760.5618307823097 10.967347 11.97781 -8.7752 -6.6753 -10.208 0.7951 -0.2455 2.722 9.50097 -2.43587 8.1793812172 10.5130953036 0.093585673
+C      0.93734087     -0.00426685      0.19592395
+C      2.45241981     -0.02921799     -0.00553601
+C      3.20942894      1.11179424      0.72750863
+N      4.51031969      0.57712839      1.16507999
+C      4.19025698     -0.81644110      1.52326412
+C      3.14872386     -1.33021885      0.50128035
+O      3.73063932     -2.10833935     -0.55985128
+H      0.44843772     -0.82877201     -0.34247003
+H      0.50049422      0.93829934     -0.16756413
+H      0.68228783     -0.09676591      1.26350380
+H      2.66154252      0.03749164     -1.08791775
+H      2.64267856      1.40910761      1.62919867
+H      3.34266906      2.01294075      0.11265165
+H      5.16291373      0.58308856      0.37464317
+H      5.08664014     -1.45040247      1.55341041
+H      3.74380636     -0.81265686      2.53374437
+H      2.42859441     -2.01841735      0.96911466
+H      4.32957599     -1.52502179     -1.06078458 
+
+14
+-1492.8445148681235 10.613452 11.0207 -8.7558 -6.734 -10.129 -0.274 -1.9638 -0.568 9.48544 1.17856 3.4691654758 5.4409148338 0.336612528
+C      1.02548846     -0.02761853      0.18480251
+C      2.34920882      0.03251320     -0.01214469
+C      3.28397224      1.22044322     -0.03276271
+N      4.46453130      0.79551753     -0.82998112
+C      4.60574351     -0.64890503     -0.57134094
+C      3.18774997     -1.17908082     -0.31518024
+O      2.81704329     -2.34111830     -0.36201363
+H      0.51760385     -0.99315696      0.12071848
+H      0.42365677      0.85573790      0.40642791
+H      3.62089437      1.46665914      0.99060356
+H      2.83525951      2.12755628     -0.45815971
+H      4.22935920      0.91448756     -1.81952106
+H      5.09569419     -1.17843616     -1.39775354
+H      5.21389451     -0.81498904      0.33726518 
+
+12
+-1354.9669005001583 9.96626 10.34085 -9.6874 -7.5161 -9.412 -1.5071 -3.3779 -1.967 8.9868 2.28177 2.7119705752 6.9501840132 0.654366269
+C      0.90880485      0.03248188     -0.00700643
+C      2.39661970      0.02293302     -0.00159741
+C      3.29314775      1.02726928      0.00403362
+N      4.69552766      0.58852452      0.00792318
+C      4.67248925     -0.69446776      0.00476430
+C      3.23126023     -1.22654905     -0.00128281
+O      2.86991666     -2.38988360     -0.00464998
+H      0.51395408      1.05601230      0.00071229
+H      0.51068530     -0.50299350      0.86809800
+H      0.51706021     -0.48689242     -0.89466792
+H      3.10827157      2.10064354      0.00607493
+H      5.56842275     -1.31830821      0.00653822 
+
+18
+-1747.018274798233 11.090724 12.13279 -8.721 -6.6393 -10.234 0.8835 -0.0915 2.706 9.62146 -2.39949 7.9497715438 11.433678955 0.09781133
+C      0.93434276      0.00747206      0.15167961
+C      2.44300279     -0.03507944     -0.03766208
+C      2.81992275     -0.00303121     -1.51796104
+N      3.21063722      1.03956626      0.70960298
+C      4.16308641      0.00534845      1.23846470
+C      3.21638270     -1.12456740      0.78457588
+O      3.72309189     -2.29415535      0.16581582
+H      0.66725365     -0.02514924      1.21924363
+H      0.45684438     -0.85210243     -0.34200336
+H      0.50870752      0.92561475     -0.28208514
+H      3.91082803      0.02867742     -1.65950768
+H      2.41117727      0.90453454     -1.98464852
+H      2.42118977     -0.88057177     -2.04817439
+H      2.63024847      1.38492664      1.47975519
+H      5.11314027      0.02489901      0.67695563
+H      4.39534434      0.07121786      2.31107555
+H      2.59243765     -1.48452536      1.61735489
+H      4.29852214     -2.01577480     -0.56969167 
+
+16
+-1620.867801445396 10.653802 11.58249 -9.2488 -7.1681 -10.327 0.8964 -0.8818 0.334 9.5895 0.45087 3.7381655014 11.9891610322 0.137294938
+C      1.05104976      0.01746567      0.27193805
+C      2.52699652     -0.01903421     -0.13433354
+C      2.70762058     -0.04144063     -1.64925078
+N      3.39639835      1.00764585      0.55724739
+C      4.03019139     -0.01439119      1.44507952
+C      3.31665136     -1.10349285      0.63811368
+O      3.35779015     -2.30994624      0.60016786
+H      0.92780823     -0.01106465      1.36461415
+H      0.51126261     -0.84026027     -0.15359110
+H      0.58164537      0.93810296     -0.10827990
+H      3.77287333     -0.02827714     -1.91305106
+H      2.23236998      0.84196869     -2.10092734
+H      2.24782634     -0.94379059     -2.07682198
+H      2.84138604      1.68746503      1.08167530
+H      5.13072304     -0.03460020      1.40607571
+H      3.71599696     -0.00638023      2.50332404 
+
+18
+-1744.802514513211 11.264551 12.50081 -9.17 -6.8789 -10.576 0.9111 -0.0424 2.975 10.55662 -2.62869 8.642878081 10.7181061546 0.22775675
+C      0.84090360      0.24699247     -0.35251526
+C      2.27646347      0.08905799      0.11196701
+C      2.48599720      0.15121455      1.61595182
+N      1.93825403     -1.04048323      2.28981138
+C      3.18516855     -0.84009844     -0.67914720
+C      3.35873013      0.65699456     -0.77659109
+O      4.46755147      1.28699723     -0.16539235
+H      0.77636461      0.27884678     -1.44981017
+H      0.39986500      1.17863044      0.03730528
+H      0.21655694     -0.59677126     -0.01846977
+H      2.05709216      1.10800039      1.98117475
+H      3.56437334      0.19330067      1.82194900
+H      0.91597968     -1.03134426      2.24140678
+H      2.16751296     -0.99878472      3.28556819
+H      2.77656813     -1.37941176     -1.53567896
+H      3.92774067     -1.38853563     -0.09750901
+H      3.01712290      1.14828147     -1.69646683
+H      5.26164516      1.02790276     -0.66482356 
+
+18
+-1750.48076752946 11.138348 12.27766 -8.9888 -6.8373 -10.428 0.8394 -0.1279 2.703 9.84309 -2.44733 8.2601209004 11.4051869722 0.113891378
+C      0.91889357     -0.06045732     -0.05905517
+C      2.43163991      0.01169065      0.03726285
+C      3.14430168      1.07862369      0.96146556
+N      2.45525593      1.55793427      2.15907053
+C      4.21161943     -0.00170751      1.28997890
+C      3.21322319     -1.08608422      0.80726498
+O      3.67596551     -2.24463038      0.12950317
+H      0.60567367     -0.97708860     -0.58056823
+H      0.50220416      0.79599336     -0.61151106
+H      0.45416990     -0.07275585      0.93935332
+H      2.87364881      0.09867422     -0.97232789
+H      3.51799072      1.96130216      0.42236092
+H      2.10227347      0.77670534      2.71823803
+H      1.63966235      2.11885616      1.89917939
+H      5.07801499      0.06805508      0.61452046
+H      4.57160066     -0.04519372      2.32720570
+H      2.61440222     -1.47583731      1.64653957
+H      4.22084983     -1.94648002     -0.62138104 
+
+16
+-1638.1923207894456 10.884286 11.91876 -9.0389 -7.0943 -10.057 0.7913 -0.138 0.734 9.53922 0.000169999999997 4.4675131464 5.9827832482 0.13249093
+C      0.98280029     -0.06838973      0.27192205
+C      2.44485084      0.08900383     -0.11730186
+C      3.30683731      1.12387833      0.66882643
+N      4.14728473      0.00184182      1.11188626
+C      5.31383208     -0.06192572      1.95900609
+C      3.42355133     -0.97211672      0.45415126
+O      3.54617819     -2.18312185      0.39173008
+H      0.56677200     -0.98191979     -0.17497249
+H      0.38191847      0.78480879     -0.07468855
+H      0.86965146     -0.14785502      1.36342439
+H      2.56006439      0.18859942     -1.20727622
+H      2.77740003      1.63068573      1.49252448
+H      3.84153248      1.86618254      0.05439546
+H      5.60804037     -1.11624360      2.04081291
+H      5.09866264      0.32616673      2.96736511
+H      6.15307338      0.50975524      1.53147461 
+
+16
+-1636.5752790101358 10.436179 11.4066 -8.7199 -6.6437 -10.323 0.8483 -0.8443 0.278 9.61741 0.48185 3.7274655096 12.0455250678 0.114483678
+C      0.94659067     -0.01535984      0.02371558
+C      2.47070464      0.03683144      0.03062760
+C      3.14797469      1.13114308      0.87925791
+N      4.49695782      0.63340588      1.23441646
+C      4.33565896     -0.81710382      1.41316634
+C      3.12147318     -1.24410613      0.57660321
+O      2.73390775     -2.38379706      0.39820673
+H      0.59870710     -0.92178967     -0.49002784
+H      0.51712973      0.85994232     -0.48289139
+H      0.55412567     -0.04086091      1.05147261
+H      2.84099766      0.12436876     -1.01014427
+H      2.57254738      1.28776887      1.80955300
+H      3.22313288      2.10178335      0.37180557
+H      5.12280787      0.79741876      0.44195045
+H      5.23509541     -1.38535069      1.14093590
+H      4.11251859     -1.05542433      2.47014214 
+
+14
+-1514.9694026571035 10.559705 11.60601 -8.5708 -6.5646 -8.278 0.8571 -0.0089 0.426 7.88177 0.27113 4.314464828 9.3834092632 0.219563584
+C      0.99064652     -0.05906805     -0.00706100
+C      2.46475770      0.10237320     -0.00011984
+C      3.32387075      1.16087192      0.00366686
+N      4.64036279      0.70771957      0.01014118
+C      4.54244340     -0.59154141      0.00990996
+C      5.62427773     -1.61253345      0.01486887
+O      3.24004421     -1.04564781      0.00378932
+H      0.51371265      0.92861477     -0.00154954
+H      0.64108485     -0.61484524      0.87599534
+H      0.64749656     -0.60180012     -0.90074359
+H      3.08346040      2.22013815      0.00240895
+H      5.19750562     -2.62140807      0.02454224
+H      6.26545338     -1.48891489      0.89832298
+H      6.26017345     -1.50431858     -0.87455174 
+
+18
+-1756.6485581121049 10.980473 11.95103 -8.7685 -6.6175 -10.135 0.9051 -0.033 3.084 9.43738 -2.79349 8.155365129 10.3671265858 0.104616026
+C      0.95289161      0.00249990      0.07456311
+C      2.47524092     -0.00298172     -0.07672690
+C      3.02872433     -1.33313454     -0.60797935
+N      2.64279814     -1.49574930     -2.01435260
+C      3.21995941     -0.40790797     -2.81168950
+C      2.66588781      0.91190724     -2.28827544
+O      2.95299894      1.08926937     -0.89539622
+H      0.60581062      1.00658604      0.35415333
+H      0.65539490     -0.69740048      0.86958575
+H      0.45125034     -0.31026147     -0.85046673
+H      2.93337195      0.19344711      0.90617892
+H      2.61612456     -2.16705872     -0.01953879
+H      4.13195954     -1.32369392     -0.46962318
+H      2.96893995     -2.39905064     -2.36167810
+H      4.33069927     -0.37635902     -2.75293171
+H      2.93250200     -0.53482646     -3.86699763
+H      3.13879320      1.76414915     -2.79723305
+H      1.57597251      0.95440542     -2.47302190 
+
+16
+-1615.6699995862646 11.248007 11.81868 -8.6521 -6.5335 -9.142 0.8844 -0.1899 1.37 8.58396 -0.79541 6.2417776036 6.2417776036 0.339305512
+C      1.03593487      0.05090211      0.11280786
+C      2.35529815      0.00028234     -0.11423967
+C      3.17875205     -1.26503840     -0.09030218
+N      4.13646814     -1.27903147     -1.20679215
+C      4.99020819     -0.09187080     -1.12733181
+C      4.10166932      1.13110904     -1.27152132
+O      3.06792952      1.17604155     -0.26074890
+H      0.51038834      1.00469556      0.13654717
+H      0.47696324     -0.86247093      0.30780728
+H      2.51155330     -2.13351408     -0.16769045
+H      3.69260052     -1.30917858      0.89761401
+H      4.70617460     -2.12551917     -1.15239359
+H      5.55295992     -0.02288891     -0.16986732
+H      5.71742797     -0.10556166     -1.95352802
+H      4.67250864      2.06014232     -1.14223936
+H      3.62334323      1.12856105     -2.26671155 
+
+18
+-1745.4980452192062 11.063008 12.22204 -9.1163 -6.9356 -10.657 0.8787 -0.1095 2.853 10.06609 -2.524 8.5967180932 12.3500842782 0.065140995
+C      0.98647216     -0.11506547      0.22161816
+C      2.46944284      0.04468266     -0.06604058
+C      2.78675628      0.03785379     -1.56633100
+N      2.17273801      1.18588474     -2.25034312
+C      3.21761023      1.13289559      0.74154318
+C      4.04934663     -0.03019783      1.30574428
+O      3.25355599     -1.02061480      0.58946699
+H      0.81054575     -0.16899225      1.30456303
+H      0.60203182     -1.03977805     -0.23556656
+H      0.42019960      0.74085297     -0.17581776
+H      2.49265766     -0.95345198     -1.96697780
+H      3.87899161      0.11538386     -1.67891145
+H      1.17877123      1.01195408     -2.41501150
+H      2.59478099      1.30728291     -3.17226577
+H      2.59573573      1.65378685      1.48049028
+H      3.74915872      1.87197214      0.12985123
+H      5.10629559     -0.05627002      0.99013445
+H      3.99693917     -0.18365921      2.39586394 
+
+13
+-1354.3698635637504 10.102404 10.41353 -8.5676 -6.5339 -8.321 0.569 -0.5682 0.629 7.8603 0.06313 4.613209095 9.2305841196 0.286833505
+C      0.90585141      0.04835454      0.07755875
+C      2.39224949      0.08529462      0.02888949
+C      3.32191487      1.10339163     -0.06159646
+N      4.61534428      0.61848550     -0.05578892
+C      4.50485873     -0.69498576      0.03820207
+N      3.18212294     -1.05513784      0.07314690
+O      2.69984996     -2.35027455      0.27992458
+H      0.51789489      1.07370746      0.10510006
+H      0.54225001     -0.48133042      0.97055021
+H      0.47041042     -0.45047123     -0.80280948
+H      3.11870000      2.16934519     -0.12843503
+H      5.30345697     -1.42893646      0.08809632
+H      2.54073603     -2.70554267     -0.61863849 
+
+15
+-1475.8848510338166 10.336083 10.81836 -8.8433 -6.844 -9.838 1.0205 -0.3663 0.648 9.28795 -0.04516 4.9879195842 9.432606908 0.133399133
+C      1.02816374     -0.08245513      0.33913312
+C      2.47320744     -0.04008630     -0.12717080
+C      2.92735320     -1.20249473     -1.04143051
+N      3.94008367     -0.63102468     -1.95747156
+C      3.79985217      0.64121320     -1.86457580
+N      2.76595472      1.10614864     -1.02918743
+O      3.13280070      2.29953156     -0.30635961
+H      0.77599831      0.81093673      0.92835139
+H      0.85809694     -0.95924858      0.98041745
+H      0.34409083     -0.14133695     -0.51971389
+H      3.15409777      0.04451106      0.74125187
+H      2.07645083     -1.56836962     -1.64327177
+H      3.34051938     -2.05856867     -0.49097106
+H      4.38007756      1.37564349     -2.42707775
+H      2.39347274      2.90466998     -0.50185363 
+
+13
+-1394.2792861902649 10.169089 10.81421 -8.0079 -5.9932 -8.131 0.8282 -0.1327 0.515 7.76464 0.11962 4.251045989 9.5351805258 0.201386329
+C      1.00185789     -0.05978125     -0.00646723
+C      2.47516312      0.09469370     -0.01841823
+C      3.34918893      1.13459915      0.01858926
+N      4.66959486      0.67327256     -0.00187878
+C      4.53657880     -0.62244823     -0.05993235
+N      5.52498761     -1.57589691     -0.18822496
+O      3.24591994     -1.07698644     -0.07417570
+H      0.53474671      0.93227941      0.02962898
+H      0.65707349     -0.63160088      0.86914149
+H      0.63791727     -0.57683487     -0.90772494
+H      3.12077301      2.19544268      0.06494999
+H      5.30731497     -2.46944374      0.24692359
+H      6.43794341     -1.21582517      0.07878888 
+
+15
+-1472.6474446566085 10.357489 10.85478 -8.5081 -6.5129 -9.838 0.9975 -0.067 0.717 9.28729 -0.12912 4.68977045 6.0947054104 0.172033544
+C      0.97378821      0.03531047      0.30511486
+C      2.42280423      0.04533288     -0.14032505
+C      2.89685317     -1.28502458     -0.73290626
+N      4.16086470     -1.19761342     -1.46700883
+C      4.53377382     -0.02349743     -1.82009420
+N      3.91561437      1.18683199     -1.51224104
+O      2.52653161      1.07144370     -1.16030091
+H      0.68229424      1.01084132      0.71657041
+H      0.82918945     -0.72672052      1.08333619
+H      0.31196594     -0.20285187     -0.53994422
+H      3.08705552      0.33673318      0.69446018
+H      2.12178394     -1.68521191     -1.40984315
+H      3.02067281     -2.02696281      0.07476514
+H      5.48977504      0.11689630     -2.34331542
+H      3.95709294      1.89673271     -2.24512768 
+
+15
+-1521.707366177955 10.356041 11.16417 -8.8811 -6.8636 -9.892 0.7729 -0.1483 1.024 9.17228 -0.46865 5.4085916836 6.3250713984 0.199770141
+C      1.02446501     -0.05892655      0.08940456
+C      2.53494403      0.01625415      0.03470610
+C      3.17425532      1.19216171      0.78663735
+N      4.45596791      0.59823513      1.14443738
+C      4.28581395     -0.77319687      1.32139422
+N      5.08774221     -1.53592407      1.95406131
+O      3.11531698     -1.15276360      0.68909582
+H      0.66131672     -0.95445228     -0.43123259
+H      0.58660359      0.82174479     -0.40239408
+H      0.67422474     -0.09171095      1.13041418
+H      2.88892915      0.00985227     -1.01168900
+H      2.56476057      1.47057960      1.66811556
+H      3.29575726      2.07395467      0.14221761
+H      5.04395565      1.04373081      1.84385801
+H      4.77403690     -2.50952881      1.89602357 
+
+14
+-1515.127446724678 10.576038 11.16421 -9.3493 -7.2987 -9.7 1.0358 -0.5452 0.584 9.61815 0.14243 4.3884348756 6.3291629364 0.265852763
+C      1.02330395     -0.00806263      0.19026216
+C      2.34516831     -0.01485572     -0.00228062
+C      3.21241669      1.23725490     -0.08654609
+N      4.47423292      0.72521456     -0.60077842
+C      4.57610597     -0.64336129     -0.68390742
+O      5.56094457     -1.27018597     -1.05259515
+C      3.23346545     -1.21555154     -0.21444828
+H      0.45047788     -0.93532242      0.23648739
+H      0.46849988      0.92468741      0.31015553
+H      3.34017450      1.70357125      0.90735431
+H      2.77085754      1.98927188     -0.76000418
+H      5.27947325      1.31065911     -0.80275563
+H      2.84487686     -1.92826930     -0.95449265
+H      3.41195222     -1.77972025      0.71547905 
+
+14
+-1520.4995359167222 10.58631 11.18758 -8.205 -6.2092 -8.763 1.2198 -0.3852 0.431 8.33098 0.27253 4.3758626952 11.206412617 0.25069898
+C      0.96526536      0.00371382      0.08922767
+C      2.45282439      0.00275988     -0.01885802
+C      3.27514929     -1.06059876     -0.12498752
+N      4.62516480     -0.66123707     -0.20496782
+C      4.75369499      0.72143968     -0.15412561
+O      5.80010762      1.35271371     -0.20274991
+C      3.31239873      1.24344001     -0.02670870
+H      0.56303024     -1.01853919      0.06933899
+H      0.49992518      0.56545884     -0.73754323
+H      0.62779021      0.48078450      1.02424581
+H      3.02276614     -2.11852255     -0.15301998
+H      5.42453520     -1.28077743     -0.29067564
+H      3.09492478      1.92161269     -0.86757519
+H      3.22260308      1.84439187      0.89256915 
+
+18
+-1740.8326130228477 11.049231 12.12508 -9.3648 -7.1307 -10.703 0.7989 -0.1856 2.69 10.07574 -2.37052 8.5819265634 10.4972374942 0.080822181
+C      0.83205311     -0.12989959      0.15700948
+C      2.34204715     -0.02657341     -0.01962700
+C      2.76388331     -0.03720924     -1.49501574
+N      2.22784338      1.12383149     -2.21904109
+C      3.06762616      1.07654763      0.78750766
+O      4.00364450      0.10846940      1.35305532
+C      3.21042272     -0.99119317      0.82499911
+H      0.56087974     -0.15943978      1.22223411
+H      0.43780932     -1.04323106     -0.31714790
+H      0.31910005      0.73599616     -0.28848927
+H      2.47649243     -1.01740779     -1.93226539
+H      3.86336177      0.02037820     -1.53784357
+H      1.23926791      0.98395005     -2.43894442
+H      2.70594188      1.22931281     -3.11534575
+H      2.45109292      1.54498731      1.57540778
+H      3.57448565      1.85668367      0.19933226
+H      3.82955613     -1.71859433      0.27201806
+H      2.65776188     -1.51507835      1.62624636 
+
+16
+-1659.3089274097579 10.572998 11.55246 -9.1198 -7.1313 -10.524 0.7536 -0.1802 0.637 9.58954 0.04946 4.3666753326 6.393524069 0.143487518
+C      0.95596873      0.01913552     -0.01033762
+C      2.47985756     -0.02508428      0.02803560
+C      3.11602186      1.13436533      0.83403363
+N      4.39247466      0.57022747      1.25150306
+C      4.42346542     -0.80732180      1.27202356
+O      5.33915784     -1.49945119      1.69942269
+C      3.09052152     -1.27731039      0.67892652
+H      0.55095111     -0.81275661     -0.60392178
+H      0.59231596      0.95545503     -0.45993649
+H      0.53435189     -0.05493237      1.00407207
+H      2.86826261      0.04400422     -1.00217035
+H      2.48481623      1.40122717      1.70302715
+H      3.25469098      2.03778888      0.22183660
+H      5.10388268      1.09824383      1.74961262
+H      3.24888422     -2.11671451     -0.00924611
+H      2.46967672     -1.64535631      1.51368886 
+
+13
+-1403.0618930415546 10.400957 10.58671 -8.5253 -6.5253 -9.122 0.8813 -0.2465 0.385 8.53451 0.182 4.8141656038 5.383596106 0.270140348
+C      1.05397720     -0.07130089      0.23221555
+C      2.36807931     -0.00513761     -0.03216458
+C      3.22856325      1.25025805     -0.12161280
+N      4.45780652      0.74772970     -0.72974708
+C      4.51668313     -0.64033271     -0.69489577
+O      5.46083803     -1.35970910     -0.98143287
+N      3.24536544     -1.05947684     -0.27484934
+H      0.52614287     -1.02198168      0.29117075
+H      0.48411894      0.83983803      0.40220648
+H      3.40550375      1.66714669      0.88545939
+H      2.74799546      2.02275238     -0.73929303
+H      5.33556442      1.25055933     -0.65183436
+H      2.97407168     -2.03359536     -0.35511233 
+
+15
+-1541.3669914970685 10.110748 10.94864 -9.3582 -7.3766 -10.669 0.7502 -0.1985 0.699 9.79242 -0.08613 4.745626143 6.7458426866 0.170632857
+C      0.95740780      0.00302901      0.09602476
+C      2.47850456     -0.03256242      0.05061374
+C      3.15988810      1.15469782      0.76659117
+N      4.44459729      0.57192664      1.14398801
+C      4.31723949     -0.81166790      1.30714362
+O      5.14119942     -1.56972702      1.80047185
+N      3.06182755     -1.15506043      0.79363926
+H      0.52465316     -0.86922924     -0.41393256
+H      0.57957872      0.90332088     -0.41066605
+H      0.60219661      0.00647759      1.13612440
+H      2.81679714     -0.04995178     -1.00463864
+H      2.56137015      1.45740569      1.64697731
+H      3.27815201      2.02083784      0.10111175
+H      5.05007297      1.04165470      1.81158459
+H      2.97651503     -2.10388138      0.43763679 
+
+13
+-1410.8237624778303 10.079904 10.6059 -7.711 -5.7737 -8.463 0.7006 -0.2075 0.791 8.09873 -0.15355 4.8258326864 5.0891541532 0.17034195
+C      0.94823679     -0.00660741     -0.00825962
+C      2.43425605      0.06384351     -0.00047626
+C      3.27674065      1.13273242      0.00541019
+N      4.58617400      0.64395803      0.01113652
+C      4.60815813     -0.75215933      0.00914885
+O      5.57679394     -1.50745323      0.01298422
+N      3.24618108     -1.07694384      0.00171888
+H      0.52540962      1.00570943     -0.00580865
+H      0.55984622     -0.53584474      0.87649503
+H      0.56863221     -0.52795302     -0.90148745
+H      3.04881143      2.19170342      0.00591332
+H      5.43897390      1.18979650      0.01640917
+H      2.93079598     -2.03999174     -0.00109422 
+
+12
+-1336.7384124845291 9.327931 9.98904 -8.4001 -6.3733 -8.944 0.6607 -0.2445 0.284 8.57724 0.3724 4.7587190646 11.6642061248 0.223676191
+C      0.97269886     -0.02719704     -0.00741354
+C      2.44741034      0.10515163      0.00024708
+C      3.28591751      1.16289566      0.00496454
+N      4.58648697      0.64733009      0.01113647
+C      4.56060831     -0.73364564      0.01041160
+O      5.46704026     -1.53806700      0.01467099
+O      3.19642074     -1.06977490      0.00333583
+H      0.50870077      0.96662296     -0.00629007
+H      0.61921175     -0.57825758      0.87697595
+H      0.62764950     -0.57230907     -0.89882683
+H      3.07343680      2.22494202      0.00441778
+H      5.45498819      1.16810887      0.01589020 
+
+14
+-1471.7179119823525 9.364467 10.31354 -9.8605 -7.7708 -11.011 0.6943 -0.2495 0.397 10.30466 0.17971 4.8118594642 6.6086149818 0.115969696
+C      1.01274291     -0.05011938      0.10464950
+C      2.52111181      0.03338399      0.01301608
+C      3.16715301      1.20785027      0.77087886
+N      4.43069453      0.59760762      1.15747693
+C      4.29302672     -0.78096673      1.25892964
+O      5.04367567     -1.56965194      1.78890001
+O      3.12407505     -1.14670316      0.61862603
+H      0.64112438     -0.93528564     -0.42716919
+H      0.55878830      0.84030296     -0.35395416
+H      0.69029517     -0.10985236      1.15341225
+H      2.84652112      0.05046315     -1.04212078
+H      2.55549050      1.50302947      1.64367838
+H      3.30867531      2.08271289      0.12121172
+H      5.04375553      1.03383885      1.83958475 
+
+14
+-1510.0076567632664 10.772954 11.22149 -7.601 -5.6564 -7.987 0.9283 -0.0473 0.934 7.46338 -0.36599 4.7290368162 6.0230662996 0.406135257
+C      0.93080155      0.01452847     -0.00908192
+C      2.42890258      0.00568673     -0.00130879
+C      3.28475759      1.09997227      0.00543477
+N      4.57819692      0.63745054      0.01091258
+C      4.59063518     -0.74690720      0.00794737
+C      3.26687714     -1.15157422      0.00032483
+O      2.86524687     -2.46998608     -0.00452405
+H      0.54572575      1.04298271     -0.00199348
+H      0.50710108     -0.49316396      0.87384520
+H      0.51615308     -0.47785155     -0.90488117
+H      3.06230454      2.16213650      0.00671823
+H      5.40508890      1.22044958      0.01651368
+H      5.50987580     -1.31997652      0.01143528
+H      1.89285300     -2.48479727     -0.00982254 
+
+13
+-1385.606651060284 10.403577 10.867 -7.6818 -5.7195 -8.369 0.7379 -0.1423 0.792 7.91123 -0.27912 4.8123802054 9.3399521702 0.2976314
+C      0.97282495     -0.03208019     -0.00713711
+C      2.44624602      0.10771858      0.00041517
+C      3.28785055      1.16105232      0.00457231
+N      4.58924139      0.65259471      0.01029796
+C      4.56111260     -0.72956367      0.01086650
+N      5.56809343     -1.51450868      0.01657882
+O      3.20239653     -1.07334051      0.00389993
+H      0.50489132      0.96003130     -0.00645628
+H      0.61903231     -0.58319020      0.87778039
+H      0.62735749     -0.57805558     -0.89853247
+H      3.07616967      2.22330003      0.00347303
+H      5.45619479      1.17425456      0.01696567
+H      5.27079894     -2.49319268      0.01561608 
+
+14
+-1512.446828867566 10.818096 11.44244 -7.4518 -5.4735 -7.833 0.8638 -0.1148 1.03 7.36783 -0.43717 4.6476648044 6.1405430346 0.424994462
+C      0.92064479      0.04306312     -0.00852184
+C      2.41847870     -0.00171124     -0.00020305
+C      3.27247309      1.08302674      0.00419040
+N      4.57897659      0.60090930      0.01061676
+C      4.54974841     -0.76681005      0.01047484
+O      5.75195157     -1.42398688      0.01685577
+C      3.23312004     -1.18668091      0.00378287
+H      0.55723053      1.07987176     -0.00129855
+H      0.49473341     -0.46538791      0.87070645
+H      0.50481110     -0.44949030     -0.90158461
+H      3.07040800      2.14857793      0.00326838
+H      5.42808867      1.15367907      0.01550396
+H      5.56705763     -2.37853257      0.01626656
+H      2.88649748     -2.21664805      0.00213206 
+
+13
+-1410.8237624778303 10.079904 10.6059 -7.711 -5.7737 -8.463 0.7006 -0.2075 0.791 8.09873 -0.15355 4.8258326864 5.0891541532 0.17034195
+C      0.94823679     -0.00660741     -0.00825962
+C      2.43425605      0.06384351     -0.00047626
+C      3.27674065      1.13273242      0.00541019
+N      4.58617400      0.64395803      0.01113652
+C      4.60815813     -0.75215933      0.00914885
+O      5.57679394     -1.50745323      0.01298422
+N      3.24618108     -1.07694384      0.00171888
+H      0.52540962      1.00570943     -0.00580865
+H      0.55984622     -0.53584474      0.87649503
+H      0.56863221     -0.52795302     -0.90148745
+H      3.04881143      2.19170342      0.00591332
+H      5.43897390      1.18979650      0.01640917
+H      2.93079598     -2.03999174     -0.00109422 
+
+13
+-1410.8237624778303 10.079904 10.6059 -7.711 -5.7737 -8.463 0.7006 -0.2075 0.791 8.09873 -0.15355 4.8258326864 5.0891541532 0.17034195
+C      0.94823679     -0.00660741     -0.00825962
+C      2.43425605      0.06384351     -0.00047626
+C      3.27674065      1.13273242      0.00541019
+N      4.58617400      0.64395803      0.01113652
+C      4.60815813     -0.75215933      0.00914885
+O      5.57679394     -1.50745323      0.01298422
+N      3.24618108     -1.07694384      0.00171888
+H      0.52540962      1.00570943     -0.00580865
+H      0.55984622     -0.53584474      0.87649503
+H      0.56863221     -0.52795302     -0.90148745
+H      3.04881143      2.19170342      0.00591332
+H      5.43897390      1.18979650      0.01640917
+H      2.93079598     -2.03999174     -0.00109422 
+
+12
+-1336.7384124845291 9.327931 9.98904 -8.4001 -6.3733 -8.944 0.6607 -0.2445 0.284 8.57724 0.3724 4.7587190646 11.6642061248 0.223676191
+C      0.97269886     -0.02719704     -0.00741354
+C      2.44741034      0.10515163      0.00024708
+C      3.28591751      1.16289566      0.00496454
+N      4.58648697      0.64733009      0.01113647
+C      4.56060831     -0.73364564      0.01041160
+O      5.46704026     -1.53806700      0.01467099
+O      3.19642074     -1.06977490      0.00333583
+H      0.50870077      0.96662296     -0.00629007
+H      0.61921175     -0.57825758      0.87697595
+H      0.62764950     -0.57230907     -0.89882683
+H      3.07343680      2.22494202      0.00441778
+H      5.45498819      1.16810887      0.01589020 
+
+13
+-1381.2808477465471 10.170966 10.39389 -8.3915 -6.5429 -9.217 0.9593 -0.6978 -0.362 8.81905 0.91722 4.0980844608 4.7223291736 0.274941611
+C      0.95079307      0.03276058     -0.00361293
+C      2.44121032      0.04721101      0.01666807
+C      3.30529599      1.08982121     -0.10296763
+N      4.63357250      0.66482111     -0.16876417
+N      4.60326494     -0.71163927      0.15805668
+C      3.25806948     -1.17213337      0.10100315
+O      2.93160912     -2.35744485      0.10784696
+H      0.53693648      1.04830132     -0.04961134
+H      0.55558882     -0.46790630      0.89229159
+H      0.57806783     -0.53565961     -0.86932726
+H      3.10265961      2.15766224     -0.16130291
+H      5.28285291      1.18095622      0.43304367
+H      5.29821892     -1.27392029     -0.33365390 
+
+13
+-1348.6849019172569 10.498334 10.46173 -8.2712 -6.3766 -8.892 0.813 -0.8152 -0.187 8.38634 0.65933 4.6619231944 4.7639884696 0.345694563
+C      0.93736488      0.06174254      0.01977421
+C      2.42761432      0.07150549     -0.02353859
+C      3.28537067      1.11500685     -0.09816548
+N      4.60151978      0.68735646     -0.25362983
+O      4.59076705     -0.73497947     -0.09402092
+C      3.24709611     -1.14045719     -0.02111965
+N      3.01257038     -2.39725921      0.01857685
+H      0.53028829      1.08051742      0.02212152
+H      0.57168973     -0.45284861      0.92178859
+H      0.51885939     -0.46906624     -0.85000778
+H      3.08821450      2.18561799     -0.11705402
+H      5.27848998      1.04908657      0.42796525
+H      2.00152490     -2.56242260      0.04528984 
+
+12
+-1298.8758121979774 9.491186 9.76266 -8.8772 -6.9728 -9.523 0.6265 -1.0978 -0.745 9.12773 1.2941 4.205543127 4.6395437214 0.273671486
+C      0.94782652      0.02857478      0.01947499
+C      2.43822452      0.05925487     -0.01963068
+C      3.29343616      1.11027699     -0.09399452
+N      4.60589301      0.69093640     -0.24195874
+O      4.62033557     -0.71697439     -0.07617428
+C      3.25931366     -1.14647184      0.00174280
+O      2.99236331     -2.32790088      0.05508032
+H      0.52611732      1.04124006      0.02850540
+H      0.59386204     -0.50653955      0.91235284
+H      0.54547825     -0.50912046     -0.85193973
+H      3.08959277      2.17969036     -0.11165128
+H      5.31064686      1.08772366      0.38720290 
+
+11
+-1240.0253285336903 10.030817 9.69738 -8.9152 -7.0759 -9.521 -0.934 -2.6748 -1.396 9.11366 1.9298 3.9266242214 5.92901052 0.523501863
+C      1.01103065      0.00922697     -0.15981957
+C      2.33781612     -0.03872025      0.05377435
+C      3.24511770     -1.15983038      0.22488547
+N      4.47894381     -0.76995022      0.41383401
+N      4.47795451      0.61061251      0.38166274
+C      3.22763223      1.18039103      0.16799510
+O      2.95655951      2.37175103      0.09706568
+H      0.51390210      0.97577401     -0.26218192
+H      0.40588152     -0.89487446     -0.23616959
+H      3.00664181     -2.22146085      0.21139852
+H      5.35192004      1.11047061      0.51016520 
+
+13
+-1364.371424154847 10.181825 10.36045 -8.9482 -6.945 -10.021 0.2631 -1.4109 -0.388 9.61694 0.90596 4.0668399888 5.5101362176 0.290734371
+C      1.02381485     -0.04304566      0.14642890
+C      2.34194640      0.03751375     -0.05858073
+C      3.27364590      1.22011416     -0.01889459
+N      4.52919082      0.77225446     -0.69676698
+N      4.43179392     -0.65763402     -0.70904894
+C      3.21079084     -1.16715374     -0.30344727
+O      2.93739561     -2.35316427     -0.15616254
+H      0.53977178     -1.02139808      0.12669163
+H      0.40781303      0.83489799      0.34645617
+H      3.51843339      1.47294632      1.02734494
+H      2.88513960      2.12407243     -0.50551136
+H      4.45812093      1.05828701     -1.68082933
+H      5.29346294     -1.17741034     -0.55955989 
+
+13
+-1381.2208741716436 9.643957 10.06252 -9.1119 -7.2202 -9.891 0.6113 -1.1318 -0.14 9.39792 0.71199 4.3829918902 5.19873298 0.156822728
+C      0.96217991      0.01056632     -0.10580788
+C      2.48929926     -0.03229865      0.03678741
+C      3.18625546     -1.20165539     -0.59342141
+N      4.10132824     -0.86712579     -1.44797174
+N      4.12631424      0.52011993     -1.48711070
+C      3.19010873      1.14196190     -0.67583986
+O      2.98870461      2.34283674     -0.57458302
+H      0.58815409      0.97683680      0.25711434
+H      0.49093111     -0.79194915      0.47683988
+H      0.66366329     -0.10205377     -1.15675108
+H      2.75538830      0.03272054      1.10734271
+H      2.99333724     -2.25640217     -0.39827935
+H      4.75031551      0.98404270     -2.14068932 
+
+15
+-1497.2249307093216 10.390747 11.21019 -9.2565 -7.2573 -10.206 0.8249 -0.1738 0.592 9.68777 0.11982 4.4444269532 5.9618172156 0.122883951
+C      0.97691739     -0.05530809      0.19686089
+C      2.46838046      0.08164286     -0.07036799
+C      3.26173634      1.15648561      0.73222244
+N      4.02183147      0.04156905      1.32424199
+N      5.13027271      0.08305860      2.17871683
+C      3.38421377     -0.96623702      0.62296906
+O      3.53514968     -2.17398803      0.59784894
+H      0.59613310     -0.99128756     -0.23468687
+H      0.41360412      0.77817555     -0.24656709
+H      0.76850002     -0.07372445      1.27684153
+H      2.68183835      0.12771052     -1.14872791
+H      2.66832322      1.72439476      1.46522587
+H      3.87798018      1.84031337      0.12949496
+H      5.90248566     -0.42493774      1.73461875
+H      4.89803352     -0.41491745      3.04440861 
+
+15
+-1509.5824538368065 10.006444 10.73594 -8.9996 -6.9636 -10.417 0.8418 -0.2945 0.473 9.7373 0.20541 4.3174776878 6.1551361868 0.094273703
+C      0.97303467     -0.02336370      0.01272179
+C      2.49397518      0.04595551      0.01244446
+C      3.13246899      1.12010469      0.90220350
+N      4.48134709      0.60187975      1.26437435
+N      4.32703986     -0.82132168      1.18262193
+C      3.14361294     -1.22752058      0.59625991
+O      2.71076682     -2.37166122      0.57459333
+H      0.63487728     -0.93325504     -0.50084984
+H      0.53472373      0.84820599     -0.49272171
+H      0.58380056     -0.05766208      1.04105501
+H      2.86415163      0.14504508     -1.02539360
+H      2.54524117      1.23388092      1.82977483
+H      3.23377796      2.10720602      0.43224674
+H      5.12549344      0.85587367      0.50455789
+H      4.73609867     -1.36573733      1.93941140 
+
+13
+-1349.5373527670777 10.380347 10.39547 -8.3195 -6.376 -9.199 1.2167 -0.325 0.478 8.80691 0.10135 4.9980244432 6.2413808484 0.195529432
+C      0.91163801     -0.08701805      0.22097982
+C      2.22201661     -0.01144123     -0.03077259
+C      3.02934562      1.24140571     -0.22295213
+N      4.27349281      1.09117960      0.54219135
+N      5.01210303     -0.03404672      0.19198266
+C      4.33196366     -1.06357726     -0.15254719
+O      2.95371838     -1.18023294     -0.20037127
+H      0.32843528      0.82453096      0.32995551
+H      0.41078351     -1.04889583      0.31572756
+H      2.47213442      2.11249384      0.14353510
+H      3.23266574      1.37399381     -1.30636397
+H      4.88312690      1.90489084      0.46921675
+H      4.82448602     -2.00207273     -0.39732159 
+
+15
+-1492.6508778806397 10.188052 10.78242 -8.2068 -6.1767 -9.284 0.8794 -0.0821 0.681 8.83049 -0.13501 5.1686787736 12.3993191188 0.126267636
+C      0.93857412     -0.05703664      0.29108409
+C      2.41866507     -0.00557598     -0.03480949
+C      2.84225294      1.24922847     -0.79526952
+N      4.26000027      1.11139212     -1.11974775
+N      4.56429869     -0.03601617     -1.86189366
+C      3.80916866     -1.05600374     -1.67203556
+O      2.72084580     -1.17873089     -0.84534277
+H      0.66985758      0.76485412      0.96958783
+H      0.69135761     -1.00611937      0.78441922
+H      0.33422518      0.02683181     -0.62324080
+H      3.02217552     -0.08209407      0.88504146
+H      2.69916978      2.13878069     -0.16433082
+H      2.20565082      1.34698883     -1.69814333
+H      4.63264161      1.91317053     -1.62687723
+H      4.01807635     -1.98388969     -2.20447167 
+
+13
+-1345.9123900741731 10.174168 10.59482 -8.6605 -6.7104 -8.993 0.9545 0.0293 0.239 8.41266 0.31136 4.762550232 6.281378732 0.298384324
+C      0.89493443     -0.07111060     -0.07822039
+C      2.38313539      0.08142599      0.00918759
+C      3.14004315      1.23840578     -0.22528072
+N      4.42473779      0.86173680     -0.02850914
+O      5.52122091      1.70354723     -0.14978857
+N      4.60315913     -0.40765161      0.30989803
+C      3.34025023     -0.89928364      0.33482578
+H      0.37044731      0.68040822      0.52985898
+H      0.58903018     -1.06158040      0.28421569
+H      0.53257860      0.02907637     -1.11261680
+H      2.87862980      2.25323655     -0.50234854
+H      6.25960370      1.09362073      0.06719806
+H      3.18133938     -1.94416143      0.58800003 
+
+14
+-1488.1008337523663 10.39486 11.19689 -9.0313 -7.035 -8.958 1.1513 -0.4878 -0.088 8.33683 0.69057 4.5589900172 6.6882759868 0.343157917
+C      0.93487374     -0.13492771     -0.00312661
+C      2.40952533      0.05283573     -0.00362175
+C      3.21715048      1.16477619     -0.00107475
+C      2.82692164      2.61219548      0.00286505
+C      4.52802227      0.60659968     -0.00405721
+N      4.53464480     -0.71208761     -0.00805515
+O      3.17134793     -1.07375840     -0.00776107
+H      0.43073383      0.83847250      0.02227884
+H      0.61064970     -0.71762624      0.87143508
+H      0.60363339     -0.67413507     -0.90281620
+H      3.71806129      3.25302093      0.01143779
+H      2.22740883      2.87265415      0.88775462
+H      2.23882416      2.88051509     -0.88734553
+H      5.48195262      1.13207528     -0.00306311 
+
+12
+-1295.7370729255056 9.219469 9.85801 -8.7314 -6.7542 -9.032 0.7923 -0.2937 -0.304 8.47129 0.88289 4.4211175852 6.7259553322 0.326369136
+C      0.89784911     -0.03218246      0.00560716
+C      2.39357242      0.02022543      0.00240844
+C      3.21465559      1.12127173      0.00250959
+O      2.90368750      2.43062734      0.00508336
+O      4.51859740      0.78236412     -0.00058234
+N      4.60397174     -0.64912026     -0.00304613
+C      3.34182930     -1.03972815     -0.00105876
+H      0.55013967     -1.07293570     -0.00770732
+H      0.47094968      0.47366176     -0.87280889
+H      0.47515670      0.44946510      0.89962690
+H      3.73305703      2.94594045      0.00336883
+H      3.13978387     -2.11028936     -0.00245085 
+
+10
+-1155.241180999828 9.213607 9.02298 -10.0187 -8.1066 -10.437 -1.285 -3.0824 -1.684 9.9643 2.19268 4.000346297 4.9871260738 0.463801926
+C      0.99852089      0.01350258     -0.09866290
+C      2.33686248     -0.04064724      0.01621224
+C      3.24509231     -1.15524916      0.15933236
+N      4.48728505     -0.78819425      0.24043325
+O      4.53697923      0.64243314      0.15818549
+C      3.24263388      1.14955621      0.01991794
+O      3.01197224      2.33111656     -0.07081696
+H      0.50229227      0.98032093     -0.19824100
+H      0.38313711     -0.88632136     -0.09541492
+H      3.00961453     -2.21808740      0.20375449 
+
+12
+-1296.8408732048451 8.848225 9.39727 -10.299 -8.2305 -11.394 0.3897 -1.4354 -0.365 10.96864 0.96952 4.3456845028 6.4848025622 0.182502534
+C      0.94190328     -0.00127779     -0.05483636
+C      2.47639088     -0.02504583      0.01114922
+C      3.15019669     -1.18715188     -0.63352614
+N      3.99532747     -0.88012457     -1.55357146
+O      4.02107980      0.55669021     -1.67201314
+C      3.12144076      1.11864508     -0.76943110
+O      2.94326167      2.30825897     -0.69569439
+H      0.57660796      0.96273729      0.32127779
+H      0.51423428     -0.80442739      0.55876978
+H      0.59181116     -0.12526854     -1.08787748
+H      2.79674666      0.06767698      1.06386495
+H      2.99820939     -2.24352253     -0.40618168 
+
+14
+-1413.333874006889 9.792132 10.52544 -9.2959 -7.3294 -10.483 0.7989 -0.4199 0.344 9.85705 0.35095 4.3009627526 12.3693269054 0.141440617
+C      0.95210124      0.01566326      0.16844995
+C      2.45191152      0.04744646     -0.08987307
+C      3.30811340      1.02577500      0.76422496
+N      4.09305984     -0.15626175      1.16882634
+O      4.86384658     -0.26358077      2.33702237
+C      3.24357610     -1.10346346      0.60423734
+O      3.16732983     -2.31027297      0.67010850
+H      0.50633709     -0.86815418     -0.30782233
+H      0.46101960      0.91092213     -0.23818222
+H      0.73411552     -0.03896254      1.24482704
+H      2.67957499      0.10868676     -1.16349314
+H      2.75106544      1.47818543      1.59886916
+H      3.89372759      1.78657967      0.22926122
+H      5.78299125     -0.36034303      2.01724388 
+
+13
+-1354.3472472256624 10.183181 10.63821 -8.5936 -6.5737 -8.369 0.6583 -0.4883 0.602 7.88187 0.06292 4.6280130234 6.4794959614 0.299379082
+C      0.94844477     -0.04576224      0.01565691
+C      2.43882934      0.06023997     -0.01556733
+C      3.21746734      1.19622196     -0.12901513
+N      4.51818674      0.72796913     -0.09564986
+O      5.66077407      1.50952594     -0.28356553
+C      4.49352538     -0.63382693      0.00735133
+N      3.24322733     -1.06443958      0.06841989
+H      0.47725072      0.94203034     -0.06720030
+H      0.60947036     -0.51386739      0.95144620
+H      0.58645271     -0.67276261     -0.81235808
+H      2.99713161      2.25199653     -0.23607147
+H      5.90943526      1.80760636      0.61561221
+H      5.40199437     -1.22820148      0.02973115 
+
+15
+-1475.9596784914131 10.459311 10.94003 -8.8875 -6.8626 -9.845 1.0951 -0.3123 0.649 9.30413 -0.04177 4.9802820466 13.0705793228 0.154400079
+C      0.97757301      0.09768502     -0.37254526
+C      2.39928570      0.01260177      0.16468340
+C      2.78175236     -1.34733067      0.80136934
+N      3.74566234     -0.91096240      1.83462240
+O      3.72547669     -1.74969245      3.00947073
+C      3.36307943      0.41495905      2.11800305
+N      2.65204239      1.01415633      1.23449880
+H      0.81943201     -0.62285897     -1.18805487
+H      0.78085655      1.10645729     -0.75961732
+H      0.24935436     -0.11171500      0.42419972
+H      3.10992926      0.23659595     -0.65231561
+H      3.24251576     -2.05464053      0.10027855
+H      1.91361149     -1.82262127      1.29273247
+H      4.60472511     -2.17107528      2.98667947
+H      3.73931354      0.87333116      3.03485512 
+
+16
+-1593.0307583632666 10.470252 11.76286 -9.5965 -7.4328 -11.033 0.907 -0.0579 2.519 10.49004 -2.16024 8.56929239 10.5500059358 0.255699714
+C      0.75839622     -0.07357710     -0.49590228
+C      2.18187847     -0.10093263      0.00419104
+C      3.24169017     -0.74140669     -0.80090932
+O      3.12938765      0.69519563     -0.76237822
+C      2.40846009     -0.00263890      1.48988635
+C      1.47805036      0.69399003      2.42115961
+N      1.50147426     -0.78338495      2.36233829
+H      0.72634268     -0.27580341     -1.57330231
+H      0.30768874      0.91408755     -0.32147132
+H      0.15936158     -0.82774383      0.03295151
+H      2.97889764     -1.20623843     -1.75787484
+H      4.12788724     -1.15429735     -0.30472011
+H      3.46990094      0.03521878      1.75622065
+H      0.55960216      1.14697798      2.04299037
+H      1.91861243      1.19956908      3.28378134
+H      2.02813938     -1.15929577      3.15623924 
+
+18
+-1744.4041480157482 11.190885 12.55301 -9.27 -6.971 -10.594 0.9146 0.0195 2.841 10.70467 -2.57816 8.585286584 12.0058495478 0.099826098
+C      0.85716495      0.11619833      0.06175561
+C      2.37045256     -0.02265869      0.03636641
+C      3.21360757      0.92429618      0.91594950
+O      3.93191158     -0.19028733      1.51852646
+C      3.02303369     -1.14758242      0.87247845
+C      3.77085160     -2.24665041      0.14737695
+N      4.45219875     -3.11589931      1.11379673
+H      0.37066235     -0.72208683     -0.45918351
+H      0.53411601      1.04385940     -0.43418679
+H      0.47895477      0.13634763      1.09505338
+H      2.74013991     -0.04231562     -1.00125832
+H      2.62380256      1.47751060      1.66992014
+H      3.89481522      1.62135727      0.40252655
+H      2.34678782     -1.59260762      1.62664173
+H      4.44149712     -1.77293834     -0.59946579
+H      3.03056183     -2.84941784     -0.40763852
+H      5.14600499     -2.56056135      1.62260505
+H      4.97324671     -3.84509365      0.62238600 
+
+18
+-1747.340826994046 11.284944 12.74875 -9.3979 -7.0843 -10.657 0.8851 -0.0391 2.635 10.00993 -2.33027 8.5136598718 10.6269516474 0.278844621
+C      0.85371713      0.01736268     -0.21414547
+C      2.33288548      0.17846356      0.07057468
+C      2.71973123     -0.00678846      1.52241964
+O      3.19889205     -0.47675182     -0.89850903
+C      3.14683602      0.97521684     -0.87579410
+C      4.42851709      1.69941938     -0.54885100
+N      5.27581232      1.73911963     -1.75174415
+H      0.64889978      0.12485456     -1.28690225
+H      0.26672486      0.76984282      0.33397028
+H      0.50970131     -0.97768183      0.10646404
+H      3.80437846      0.04197734      1.66877723
+H      2.37287825     -0.98954639      1.87634338
+H      2.24341287      0.76073916      2.15109410
+H      2.62449623      1.40027535     -1.74475599
+H      4.90884535      1.23197808      0.32994016
+H      4.17669387      2.73861111     -0.27519771
+H      5.55072727      0.78338650     -1.99559789
+H      6.14069042      2.24598148     -1.55267592 
+
+14
+-1476.888691323456 9.905551 11.03889 -10.2457 -8.0082 -11.607 0.7959 -0.1917 1.27 11.18217 -0.8526 5.3426931246 10.3664322642 0.37944856
+C      0.89285057     -0.01812975      0.14093596
+C      2.41348288      0.00169093     -0.04994276
+C      3.15628954      1.02683148      0.86073188
+O      3.57485595     -0.02510637      1.76872683
+C      3.17750182     -1.04581327      0.81660017
+C      2.77935788      0.03538047     -1.46015848
+N      3.08145960      0.06218864     -2.58743430
+H      0.66046978     -0.04321941      1.21404080
+H      0.45103663     -0.90307140     -0.33644122
+H      0.43251734      0.87680191     -0.29883966
+H      2.51477048      1.77292484      1.35402763
+H      4.01462564      1.51901515      0.37497944
+H      4.04552840     -1.49923063      0.31076328
+H      2.55156350     -1.82516260      1.27744043 
+
+18
+-1745.5410716685253 11.334216 12.80454 -9.3669 -7.0683 -10.67 0.841 -0.1461 3.064 10.11699 -2.74676 8.6223707966 10.5320899588 0.235744796
+C      0.99850385     -0.05136534      0.11980648
+C      2.50606244     -0.04619620      0.00412684
+C      3.19985848     -0.62871098     -1.20218678
+O      2.38350440     -1.19429119     -2.20697584
+C      3.20925039      0.87061390     -0.98320908
+C      4.48567231      1.59227967     -0.61956035
+N      5.25293052      1.93631357     -1.82907616
+H      0.64938140      0.79278999      0.73282584
+H      0.64341112     -0.98104118      0.58924455
+H      0.52777844      0.01967932     -0.86906306
+H      3.03897233     -0.20750964      0.94646227
+H      4.13492338     -1.17413722     -1.01799729
+H      2.75039606     -0.92960279     -3.06826667
+H      2.54383795      1.42395000     -1.65312947
+H      5.04730576      0.97527443      0.11314668
+H      4.23596804      2.53564366     -0.10526187
+H      5.60038573      1.07892399     -2.26759941
+H      6.08035739      2.48112601     -1.57483668 
+
+18
+-1745.7743993209601 11.291524 12.48527 -8.546 -6.4183 -9.887 0.7802 -0.1927 3.053 9.4916 -2.73334 7.8495660586 10.6913499758 0.177890226
+C      0.98452268      0.15226995     -0.15260736
+C      2.49368841      0.08570987     -0.06963251
+C      3.32427270     -0.58964494     -1.16273262
+O      2.70543903     -1.05693909     -2.34131213
+C      3.43057272      0.89780522     -0.97930577
+C      2.85274115      1.82239743     -2.02850543
+N      4.70277226      1.39268006     -0.46671099
+H      0.59710359      1.07522749      0.30538471
+H      0.52328999     -0.69549124      0.37825365
+H      0.63310115      0.12103623     -1.19225169
+H      2.88526755     -0.06698548      0.94214377
+H      4.19043738     -1.18550610     -0.84393322
+H      2.24670780     -1.88783563     -2.12428106
+H      1.96863738      1.39427751     -2.51265515
+H      3.61066796      2.01426346     -2.80053741
+H      2.57031972      2.78759872     -1.57876035
+H      5.13371531      0.69792703      0.14836665
+H      4.53565321      2.22101953      0.11406692 
+
+14
+-1483.986127502497 10.293874 11.63375 -10.3553 -8.1361 -10.995 0.5937 -0.4454 1.324 10.61132 -0.93886 5.2747487966 11.8339801546 0.21530924
+C      0.98375417      0.09175579     -0.05766694
+C      2.48746130     -0.03250397     -0.03344228
+C      3.25569075     -0.64739369     -1.17819324
+O      2.59773473     -1.03474143     -2.35722255
+C      3.32690473      0.85287200     -0.96709709
+C      4.53859289      1.46110237     -0.50276034
+N      5.52575869      1.94297158     -0.10326499
+H      0.65388024      0.96548582      0.52139132
+H      0.51444247     -0.79954014      0.38498098
+H      0.60986065      0.19656600     -1.08461976
+H      2.93664143     -0.19480083      0.94939675
+H      4.16034706     -1.21410371     -0.93445114
+H      2.23430740     -1.92781642     -2.21761470
+H      2.75946350      1.43635665     -1.69588603 
+
+14
+-1476.1488568851912 10.01444 11.29226 -10.3169 -8.1725 -11.621 1.2661 -0.5261 1.313 11.24998 -0.90007 5.373863205 12.7174052018 0.139765585
+C      0.88272742      0.02860216      0.06393881
+C      2.39902084     -0.00826949      0.02154098
+C      3.19486268      0.97829237      0.90264980
+O      3.95645750     -0.10851968      1.52085095
+C      3.11795258     -1.10015184      0.86828348
+C      3.87768721     -2.11520002      0.14064375
+N      4.45745113     -2.92593880     -0.46607297
+H      0.44968400     -0.83631044     -0.45883257
+H      0.50277753      0.93597858     -0.42739816
+H      0.51189996      0.02486238      1.09981070
+H      2.76562213     -0.01509186     -1.01373955
+H      2.58600403      1.51125011      1.65263076
+H      3.85669447      1.68759641      0.38495490
+H      2.45293850     -1.60737987      1.59213912 
+
+14
+-1502.2262367987562 10.686811 11.21223 -7.775 -5.8102 -8.058 0.7944 -0.1832 0.606 7.48904 -0.09298 4.4484564982 6.1154606668 0.424582993
+C      0.92364517      0.03705506      0.02950826
+C      2.41896106      0.01437983      0.01331041
+C      3.28216617      1.07547141     -0.03217038
+O      4.58396947      0.66145431     -0.01663671
+C      4.55392164     -0.71785571      0.02984552
+C      3.25606727     -1.16207565      0.05397531
+N      2.77565948     -2.47683904      0.19715005
+H      0.54315793      1.06624643     -0.00351448
+H      0.52613392     -0.44137442      0.93827342
+H      0.49614447     -0.49748462     -0.83471410
+H      3.12677678      2.14860737     -0.07367393
+H      5.51696433     -1.21451053      0.05462953
+H      1.92485932     -2.64246078     -0.34000718
+H      3.46918299     -3.18184365     -0.04667572 
+
+18
+-1759.9071750587805 11.033236 12.09754 -9.2213 -7.0355 -10.48 0.8252 -0.1454 2.82 9.86512 -2.53502 8.3101120556 11.0454911876 0.09077784
+C      1.03751131      0.03430745     -0.20688025
+C      2.53891948      0.04899470      0.05212513
+C      3.00977428      1.08587683      1.06932327
+O      4.30081685      0.64478095      1.53384477
+C      4.44075134     -0.76063375      1.25933287
+C      3.10351907     -1.24886768      0.68076636
+N      3.27998492     -2.42921677     -0.16105862
+H      0.76313665     -0.77110399     -0.90556161
+H      0.69017586      0.97972839     -0.64877091
+H      0.47889054     -0.12479722      0.72916356
+H      3.07890863      0.21902777     -0.89856566
+H      2.30045979      1.14396136      1.92025926
+H      3.12615009      2.09736393      0.65090908
+H      5.25183538     -0.91019186      0.52113590
+H      4.71842364     -1.29016326      2.18394826
+H      2.43666465     -1.54110781      1.51245406
+H      3.80434436     -2.18236160     -1.00611014
+H      2.37385315     -2.78945746     -0.46811535 
+
+16
+-1623.6366159732597 10.951247 11.66034 -8.1917 -6.1111 -8.71 0.8849 -0.1153 1.316 8.23805 -0.70947 5.7337573672 11.905197713 0.262803739
+C      1.00251680      0.00604862      0.27188816
+C      2.46634903      0.05125795     -0.01706007
+C      3.27599491     -0.95114550     -0.39686358
+O      4.59340535     -0.61662689     -0.61851812
+C      4.71713229      0.75861089     -0.14940666
+C      3.28110261      1.33598367     -0.04648941
+N      2.80457830      2.21030227     -1.13181994
+H      0.59074219     -0.99871071      0.10531495
+H      0.45663207      0.71606225     -0.36790821
+H      0.78874326      0.28834138      1.31647299
+H      3.04488619     -2.00145083     -0.57221227
+H      5.35842086      1.30180909     -0.85703057
+H      5.20401189      0.72336070      0.83925419
+H      3.17596350      1.91106338      0.88913912
+H      2.93546524      1.74319832     -2.03372384
+H      3.34614549      3.07793540     -1.15759674 
+
+18
+-1748.8885043865362 11.120866 12.19747 -9.1109 -6.9535 -10.333 0.7884 -0.1792 2.677 9.79384 -2.34912 8.1092175398 8.1092175398 0.080612829
+C      0.95258062      0.07748201      0.16929971
+C      2.44423641     -0.05517013     -0.08302676
+C      2.78757721     -0.01527880     -1.56623449
+O      3.19477622      0.98690015      0.64559200
+C      4.09698989     -0.00290261      1.21221258
+C      3.19953845     -1.16069104      0.75157851
+N      3.86336467     -2.31151826      0.17680549
+H      0.74172561      0.07178671      1.24763413
+H      0.40427400     -0.75325689     -0.30124135
+H      0.56894718      1.01948280     -0.25022153
+H      3.87344110     -0.06480763     -1.73230860
+H      2.42877500      0.92797525     -2.00262080
+H      2.31313097     -0.84697905     -2.10900318
+H      5.08401171      0.00450081      0.71239164
+H      4.24038258      0.13658504      2.29470114
+H      2.55025449     -1.51403667      1.56709605
+H      4.38146158     -2.05905957     -0.66793010
+H      3.19442231     -3.03953212     -0.08031444 
+
+18
+-1744.515522528312 11.289367 12.4128 -8.6912 -6.5732 -9.919 0.8352 -0.1405 2.694 9.46347 -2.34067 7.8200573906 11.361581096 0.232710006
+C      0.82419594      0.22813937     -0.30566422
+C      2.29028574      0.13231610      0.07100257
+C      2.58282982      0.20679655      1.55347182
+O      2.27953912     -0.99446191      2.28320125
+C      3.17960678     -0.76555577     -0.77440685
+C      3.31041845      0.72280928     -0.91974981
+N      4.55654010      1.37295336     -0.58991498
+H      0.69455545      0.22815045     -1.39797273
+H      0.37007790      1.15275541      0.08652710
+H      0.24125921     -0.62576808      0.08031976
+H      2.04009125      1.06816970      1.99159848
+H      3.65529579      0.37797727      1.72859129
+H      1.33443913     -1.18663202      2.15434941
+H      2.72689516     -1.34119311     -1.58352346
+H      3.98366246     -1.28913734     -0.25137064
+H      2.84904595      1.15493724     -1.81456090
+H      5.11902682      0.81091273      0.04945915
+H      4.40179495      2.28421078     -0.15232726 
+
+14
+-1514.8815684926114 10.497698 11.64068 -8.742 -6.674 -8.413 1.6071 -0.0014 0.388 7.88725 0.27449 4.3842813446 12.5204038464 0.332407071
+C      0.98969574     -0.02817288     -0.00599797
+C      2.47012357      0.08608127     -0.00120809
+N      3.20638401      1.16254222      0.00388843
+C      4.52843878      0.70488406      0.00651575
+C      5.68717851      1.64396586      0.01193477
+C      4.51199345     -0.65706208      0.00283372
+O      3.19697026     -1.08027385     -0.00224865
+H      0.55767512      0.97751862      0.00200195
+H      0.63273019     -0.57982072      0.87556332
+H      0.63707628     -0.56341900     -0.89941226
+H      6.63869417      1.09753149      0.02426948
+H      5.65096410      2.30066959      0.89327700
+H      5.66840362      2.29039480     -0.87762920
+H      5.26952221     -1.43207939      0.00319174 
+
+18
+-1755.4480302239253 10.981013 11.90324 -8.3802 -6.3011 -9.903 0.8794 -0.0725 3.045 9.23837 -2.76235 7.8615307076 10.7138286376 0.110353672
+C      0.96715327     -0.00617075      0.09900357
+C      2.49045267      0.00676088     -0.05898453
+C      3.02572451     -1.31665995     -0.63043519
+O      2.67195224     -1.48604971     -2.00766239
+C      3.21453956     -0.42126314     -2.79806988
+C      2.70009283      0.93449930     -2.31878885
+N      2.92414633      1.16272417     -0.88140405
+H      0.61607866      0.97176096      0.45377934
+H      0.66390182     -0.77371502      0.82556604
+H      0.46461881     -0.23526236     -0.85080447
+H      2.94067337      0.14845051      0.93877104
+H      2.60768840     -2.18647463     -0.10093289
+H      4.13134509     -1.34329018     -0.52781739
+H      4.32416048     -0.44901820     -2.74298878
+H      2.91279158     -0.62647391     -3.83645846
+H      3.18516565      1.74718723     -2.88197866
+H      1.61885888      1.00327548     -2.52022376
+H      3.92775584      1.30338933     -0.73044069 
+
+18
+-1744.0623020160547 11.079512 12.13359 -8.7221 -6.6376 -10.232 0.9083 -0.0956 2.779 9.54123 -2.44413 8.0635039016 9.5739633466 0.051559198
+C      0.90256342     -0.09788108      0.16634407
+C      2.41300052      0.01076958     -0.00021755
+C      2.82924864      0.00889447     -1.47995164
+O      2.33144776      1.11564529     -2.23932272
+C      3.14826672      1.11576787      0.81150467
+C      4.15277410      0.01675497      1.22860936
+N      3.17585595     -1.01941631      0.78177192
+H      0.64690852     -0.14944807      1.23296163
+H      0.51752504     -1.00971398     -0.31804164
+H      0.38451963      0.77360977     -0.26485485
+H      2.52145072     -0.95511334     -1.93440667
+H      3.92588438      0.07736052     -1.55417329
+H      1.36459237      1.02468370     -2.29759713
+H      2.54784055      1.48507702      1.65331647
+H      3.52965824      1.96524761      0.23197660
+H      5.08768635      0.05161336      0.64217448
+H      4.41178494     -0.05055037      2.29623730
+H      3.57595215     -1.77108102      0.21065898 
+
+18
+-1742.4360791106255 11.341493 12.40072 -8.5951 -6.5818 -10.01 0.9365 0.0064 2.958 9.20314 -2.68789 7.8590881834 12.1025710264 0.095559683
+C      0.96438781     -0.08471131      0.01314647
+C      2.47354344      0.03562207      0.06657067
+C      3.16299103      1.10968031      0.96806541
+O      2.42482127      1.52993478      2.10613600
+C      4.21739142      0.00969378      1.24205888
+N      3.20641148     -1.00042539      0.84761043
+C      3.66093906     -2.19051784      0.15486154
+H      0.66769310     -1.01783612     -0.48795707
+H      0.52871638      0.75299174     -0.55038471
+H      0.52771192     -0.08406455      1.02159670
+H      2.88970231      0.12246827     -0.96285506
+H      3.50503831      2.02511344      0.47074125
+H      2.15305381      0.72250707      2.58126846
+H      5.06883087      0.07428717      0.53173875
+H      4.60223396     -0.07857599      2.27054301
+H      2.79653076     -2.78536100     -0.17465377
+H      4.25557230     -2.81628538      0.83664390
+H      4.28498079     -1.95541107     -0.73675086 
+
+14
+-1506.5327804946198 10.973498 11.56893 -7.4958 -5.509 -7.754 0.8364 -0.1018 0.728 7.26394 -0.15717 4.2564269814 6.518873915 0.410839354
+C      0.91260966      0.06564876      0.01990803
+C      2.40677192     -0.01699765     -0.01522398
+C      3.28867851      1.02311800     -0.02500340
+O      4.59670905      0.55095002     -0.06288346
+C      4.51322283     -0.81147301     -0.07118861
+N      5.73028091     -1.47794425     -0.19345450
+C      3.20419125     -1.21972417     -0.04286260
+H      0.57326716      1.10938701      0.05663825
+H      0.50357414     -0.45296884      0.90058297
+H      0.46556438     -0.40282950     -0.87042823
+H      3.18357987      2.10147122     -0.00590853
+H      5.67573671     -2.44424209      0.12113980
+H      6.49134637     -0.99031534      0.27946205
+H      2.84539725     -2.24464016     -0.04156779 
+
+18
+-1741.3696519641724 11.063791 12.11372 -8.8286 -6.6361 -10.3 0.8899 -0.1091 2.692 9.6042 -2.35988 8.2109480528 9.6356091858 0.091586417
+C      0.95051488     -0.07545440      0.22531785
+C      2.43903610     -0.02743940     -0.11671251
+C      2.69221260     -0.05699808     -1.62153760
+O      2.15721015      1.07035370     -2.32556668
+C      3.21084137      1.05792313      0.69246179
+N      3.59389303      0.01518097      1.68434749
+C      3.27418653     -1.05683244      0.70421467
+H      0.80818970     -0.07959732      1.31502505
+H      0.47762228     -0.98213330     -0.18496809
+H      0.41714357      0.80414410     -0.16942924
+H      2.30339740     -1.00698527     -2.04098652
+H      3.77485250     -0.02913938     -1.81767880
+H      1.18744576      1.02705503     -2.26298714
+H      2.61835445      1.88584976      1.11340289
+H      4.05077036      1.47988382      0.11112578
+H      4.57046645      0.04457888      1.98281589
+H      4.14241023     -1.43353578      0.12966310
+H      2.73061265     -1.91611401      1.13045207 
+
+13
+-1393.9501249999303 10.121848 10.8382 -8.0351 -6.0957 -8.261 0.8553 -0.1215 0.487 7.75522 0.11011 4.3258219456 11.9982244088 0.257428344
+C      0.97400127     -0.00912122      0.01225406
+C      2.46407569      0.02062067     -0.01611596
+C      3.30653451      1.08700031     -0.01532440
+O      4.61898536      0.60662723     -0.05056245
+C      4.45599405     -0.74842002     -0.06569911
+N      5.60155803     -1.50552637     -0.17792173
+N      3.21832909     -1.16213561     -0.04347643
+H      0.55832731      1.00601307      0.03972044
+H      0.61333414     -0.55849375      0.89431661
+H      0.57965755     -0.52416874     -0.87608885
+H      3.19206455      2.16341681      0.00930600
+H      5.45049251     -2.47648567      0.08307413
+H      6.42477597     -1.09519672      0.25622767 
+
+13
+-1379.0591898547311 10.767853 10.79043 -8.5483 -6.5787 -8.966 0.6535 -0.3073 0.621 8.31824 -0.16546 5.2476702542 5.4946131704 0.475941573
+C      1.05807179     -0.07084924      0.17799331
+C      2.38522559     -0.02705811     -0.01642581
+C      3.29464788      1.18500183      0.02075994
+O      4.61919262      0.68973739     -0.26780875
+C      4.58019059     -0.66815335     -0.45654385
+N      5.64360656     -1.31521552     -0.72307536
+N      3.25228561     -1.07505446     -0.29755031
+H      0.49799125     -1.00338807      0.13001069
+H      0.50739930      0.84254123      0.39207413
+H      3.30649706      1.66540999      1.01079918
+H      3.02437546      1.93203716     -0.74050612
+H      5.45589903     -2.31507603     -0.83583770
+H      2.96545726     -2.04108282     -0.40312934 
+
+15
+-1491.5768539813657 10.212657 10.7417 -8.2257 -6.2043 -9.302 0.8536 -0.116 0.668 8.83456 -0.12547 5.1667073962 9.2601547806 0.13850952
+C      0.98003647     -0.00548406      0.38747153
+C      2.41802896     -0.04744571     -0.11336087
+C      2.80307657      1.23681006     -0.84341672
+O      4.13904510      1.15040909     -1.38690414
+C      4.51779826     -0.11216079     -1.76767366
+N      3.86919297     -1.21263255     -1.65264158
+N      2.59230200     -1.13320132     -1.08344323
+H      0.84033476      0.81615584      1.10422365
+H      0.71838769     -0.94136796      0.90243277
+H      0.28078594      0.13049867     -0.44973111
+H      3.11359251     -0.16634227      0.74390082
+H      2.80854038      2.09840611     -0.16098608
+H      2.09595976      1.42855757     -1.66668957
+H      5.50395328     -0.11433977     -2.23161339
+H      2.37490533     -2.04882293     -0.68889842 
+
+15
+-1517.4653068126208 10.359613 11.12956 -8.9827 -6.9835 -9.98 0.6671 -0.3014 0.98 9.28097 -0.4334 5.2127186008 9.017067829 0.233414983
+C      0.95386944      0.00034106      0.02048721
+C      2.47337416     -0.05025293      0.09325838
+C      3.10571947      1.09362593      0.89632168
+O      4.33024208      0.54706757      1.42402345
+C      4.22095292     -0.82484526      1.45151979
+N      5.15280620     -1.52369084      1.96997331
+N      2.98716316     -1.17976367      0.87993916
+H      0.55403939     -0.85871490     -0.53634615
+H      0.62412119      0.91170656     -0.49938648
+H      0.51977991     -0.00947646      1.03007307
+H      2.89629588     -0.05755767     -0.93098458
+H      2.45277758      1.39191442      1.73528262
+H      3.35378638      1.97321313      0.28943130
+H      4.93669832     -2.52316842      1.90761268
+H      2.96285392     -2.10022851      0.44781455 
+
+13
+-1381.6260825457412 10.346953 10.77198 -7.7684 -5.8021 -8.488 0.5623 -0.3761 0.794 7.98894 -0.28139 4.9632339716 9.0676665156 0.264786702
+C      0.92847554      0.00807947     -0.00837000
+C      2.41409723      0.05236230     -0.00066753
+C      3.28024458      1.08468751      0.00498652
+O      4.59241076      0.62700501      0.01099926
+C      4.56626960     -0.76269468      0.00944938
+N      5.65414951     -1.43224078      0.01482579
+N      3.21364480     -1.10229745      0.00148205
+H      0.52284472      1.02691472     -0.00685210
+H      0.53472427     -0.51480660      0.87737815
+H      0.54369458     -0.50870254     -0.90161224
+H      3.13906325      2.15790357      0.00547946
+H      5.47345251     -2.43924225      0.01262973
+H      2.87640866     -2.05648828      0.00093153 
+
+14
+-1416.4840059416927 9.341738 10.11831 -8.8171 -6.7737 -10.311 0.8902 -0.0523 0.277 9.93791 0.24177 5.8955838944 12.457617336 0.208642331
+C      0.84469188      0.01645343     -0.02925916
+C      2.36440490      0.00081248     -0.04449091
+C      3.01481049     -0.03460560      1.32713282
+O      2.82753964     -1.15014547     -0.83269318
+C      3.43731145     -0.59840107     -1.91249272
+N      3.50147311      0.68071704     -1.97858391
+O      2.86311602      1.15484287     -0.79478882
+H      0.46098446      0.03729268     -1.05683428
+H      0.49098140      0.91235967      0.49735542
+H      0.45616695     -0.87310588      0.48422821
+H      4.10644860     -0.05562415      1.22242326
+H      2.68651306     -0.92189755      1.88459510
+H      2.73090400      0.86245716      1.89253703
+H      3.84592403     -1.26633560     -2.66567885 
+
+14
+-1407.0534103954278 9.509728 10.12298 -9.0603 -7.0179 -10.548 0.9053 -0.1159 0.302 10.1104 0.23315 5.5399176548 9.9267903068 0.180229917
+C      0.97772268     -0.02792089      0.34417062
+C      2.41116653     -0.04230829     -0.15084053
+C      2.83272684      1.26040454     -0.80977856
+O      4.18427286      1.13762373     -1.30777863
+C      4.46312941     -0.09942205     -1.80008537
+N      3.76131929     -1.17785342     -1.78493792
+O      2.50930243     -1.11061673     -1.11818584
+H      0.85161027      0.72792857      1.13189381
+H      0.71423890     -1.00837298      0.76098553
+H      0.28391975      0.19650459     -0.47797284
+H      3.11269688     -0.26302818      0.67659750
+H      2.84520333      2.09848433     -0.09995980
+H      2.16071920      1.49808056     -1.65028034
+H      5.43875163     -0.14877378     -2.28546763 
+
+12
+-1335.6866934449765 9.269538 9.92262 -8.4599 -6.4367 -9.047 0.58 -0.3537 0.261 8.60777 0.37586 4.8471582784 5.4260985068 0.189661363
+C      0.94366421     -0.00552227     -0.00799902
+C      2.42872017      0.05535890     -0.00068803
+C      3.28211085      1.10093318      0.00518998
+O      4.59824848      0.66062287      0.01062056
+C      4.58502739     -0.74011944      0.00816711
+O      5.57401262     -1.44009738      0.01174890
+N      3.24402582     -1.08536864      0.00109722
+H      0.52812024      1.00931048     -0.00591988
+H      0.55628998     -0.53253487      0.87759643
+H      0.56468207     -0.52551639     -0.90135136
+H      3.12133208      2.17171284      0.00629750
+H      2.94049609     -2.05229928     -0.00171941 
+
+12
+-1331.787361441162 9.667639 9.9458 -8.9914 -6.9325 -9.398 1.1833 -0.4039 0.078 8.81597 0.48424 4.854609837 5.4133651446 0.320343235
+C      1.04850749     -0.06110379      0.18743476
+C      2.37137098     -0.01661035     -0.02324786
+C      3.28774391      1.19287193      0.03041466
+O      4.60966342      0.69476946     -0.28126401
+C      4.55324444     -0.66436971     -0.50085751
+O      5.50760675     -1.35064215     -0.77970515
+N      3.23083282     -1.06158240     -0.34172709
+H      0.48521272     -0.99060377      0.12395775
+H      0.50371675      0.84866739      0.43080569
+H      3.31377029      1.65177664      1.02939830
+H      3.01659918      1.95527493     -0.71400613
+H      2.96358124     -2.03233817     -0.46392341 
+
+14
+-1470.4160086267846 9.367216 10.29753 -9.8447 -7.7993 -10.994 0.6624 -0.3039 0.376 10.31735 0.19727 4.8048790524 11.1060955444 0.126163516
+C      0.94982737     -0.00429621      0.05148114
+C      2.47179411     -0.03406895      0.06433153
+C      3.11364450      1.10925937      0.87125313
+O      4.33872294      0.56103920      1.40551576
+C      4.24555514     -0.82036173      1.38959327
+O      5.09625468     -1.55181470      1.84355208
+N      3.03787271     -1.16651762      0.79746744
+H      0.54085861     -0.85699594     -0.50820832
+H      0.58936052      0.91325436     -0.43597388
+H      0.55438825     -0.03995552      1.07623048
+H      2.85206980     -0.01534118     -0.97569110
+H      2.46537345      1.40914945      1.71205991
+H      3.36115690      1.98778822      0.26299370
+H      2.98549100     -2.10997876      0.42356487 
+
+12
+-1335.6866934449765 9.269538 9.92262 -8.4599 -6.4367 -9.047 0.58 -0.3537 0.261 8.60777 0.37586 4.8471582784 5.4260985068 0.189661363
+C      0.94366421     -0.00552227     -0.00799902
+C      2.42872017      0.05535890     -0.00068803
+C      3.28211085      1.10093318      0.00518998
+O      4.59824848      0.66062287      0.01062056
+C      4.58502739     -0.74011944      0.00816711
+O      5.57401262     -1.44009738      0.01174890
+N      3.24402582     -1.08536864      0.00109722
+H      0.52812024      1.00931048     -0.00591988
+H      0.55628998     -0.53253487      0.87759643
+H      0.56468207     -0.52551639     -0.90135136
+H      3.12133208      2.17171284      0.00629750
+H      2.94049609     -2.05229928     -0.00171941 
+
+14
+-1486.9027693929172 10.285881 11.12063 -9.2938 -7.2889 -9.296 1.1303 -0.4976 -0.078 8.6829 0.64894 4.8387644262 11.171944509 0.405840441
+C      0.90262778      0.08415854     -0.00882239
+C      2.39824292      0.05203010     -0.00279268
+C      3.27799900      1.09710983      0.00635214
+O      4.55645872      0.65621923      0.00998999
+N      4.53987173     -0.75301510      0.00261773
+C      3.26202401     -1.09472976     -0.00480585
+C      2.87164138     -2.54216341     -0.01440811
+H      0.53104604      1.11682108     -0.00117100
+H      0.48447151     -0.42617596      0.87170079
+H      0.49171757     -0.41054251     -0.90159717
+H      3.14983540      2.17610685      0.01145614
+H      1.78065700     -2.65259249     -0.00818033
+H      3.27642008     -3.06135849      0.86473401
+H      3.26423686     -3.04644790     -0.90776327 
+
+16
+-1606.3197384282762 10.686562 11.48675 -8.7872 -6.742 -9.971 0.8703 -0.2884 0.676 9.45811 0.0000800000000254 5.4543053218 6.1228502324 0.162239268
+C      0.96617841      0.05387533     -0.02243216
+C      2.49906400     -0.03731638     -0.02750608
+C      3.06179231     -1.29775626      0.65001519
+O      3.96031418     -0.82665705      1.70897908
+N      3.94990021      0.57745307      1.73021929
+C      3.17873316      1.03414009      0.80573064
+C      3.01260368      2.50221663      0.59771047
+H      0.52665894     -0.78131149     -0.58590645
+H      0.61693264      0.98638671     -0.48766397
+H      0.57717903      0.01507184      1.00579469
+H      2.85279681      0.04508088     -1.07077180
+H      3.65156653     -1.93359308     -0.02555711
+H      2.27394810     -1.90487454      1.12396412
+H      3.32656768      2.79070309     -0.41816954
+H      3.61684122      3.05715552      1.32436420
+H      1.96067309      2.80592565      0.70887945 
+
+13
+-1365.5389681857746 9.912333 10.42008 -8.8102 -6.8979 -9.319 0.7404 -0.3077 -0.011 8.69892 0.53198 4.9140487254 6.5106040488 0.271781306
+C      0.90309712      0.05601627      0.02518459
+C      2.39710167      0.03592911      0.00625655
+C      3.28763765      1.06874576     -0.03420112
+O      4.56426279      0.62468787     -0.01446160
+N      4.54413921     -0.79111720      0.02890174
+C      3.25866660     -1.11346994      0.05122014
+N      2.85183395     -2.43603146      0.19225915
+H      0.52156163      1.08488233      0.03634095
+H      0.51008736     -0.45905501      0.91502001
+H      0.47560944     -0.44247890     -0.85952098
+H      3.16302559      2.14781673     -0.07112644
+H      2.02785893     -2.67548106     -0.35540798
+H      3.61048805     -3.09675451      0.02909498 
+
+13
+-1331.9409861620593 10.488529 10.4769 -8.6794 -6.7633 -9.78 0.0125 -1.6359 -0.258 9.15401 0.695 4.5209139166 5.522770391 0.294684767
+C      1.07446173     -0.02972991      0.39797741
+C      2.36351026      0.00967491      0.04662095
+C      3.27001733      1.20709262     -0.08044016
+O      4.60354337      0.67458380      0.01945885
+N      4.47416509     -0.62571008     -0.61999957
+C      3.22111676     -1.16694035     -0.28534691
+N      3.00072066     -2.43095492     -0.33659852
+H      0.52696211     -0.97415832      0.42948046
+H      0.52098178      0.87200207      0.66092194
+H      3.16079713      1.95211884      0.71781210
+H      3.13234681      1.69148161     -1.06642633
+H      5.28208853     -1.18219797     -0.33241757
+H      2.00825844     -2.62904231     -0.16189264 
+
+15
+-1475.9798278189126 10.25253 10.80259 -8.7036 -6.7355 -10.233 0.9361 -0.2634 0.788 9.54659 -0.16645 4.8191250438 8.5570301746 0.202958206
+C      0.96643294     -0.00643066     -0.01981237
+C      2.48792166      0.02034226      0.00427893
+C      3.12323888      1.06533596      0.91996803
+O      4.46992369      0.58798466      1.13051023
+N      4.38451185     -0.85308326      1.08609155
+C      3.13329491     -1.24004127      0.58906798
+N      2.72593478     -2.45080194      0.68067207
+H      0.59531432     -0.83108903     -0.64548925
+H      0.56454475      0.92530704     -0.44118400
+H      0.55435768     -0.13380825      0.99184739
+H      2.88494314      0.15501486     -1.01746651
+H      2.57603870      1.12147196      1.88284704
+H      3.21279081      2.06969522      0.48562217
+H      4.61389681     -1.23170446      2.00932492
+H      1.80663508     -2.55214308      0.23567181 
+
+12
+-1295.0548277408438 9.340376 9.75367 -9.016 -7.1094 -9.891 0.6999 -1.0191 -0.717 9.48282 1.23693 4.0284787204 5.0508424792 0.301723488
+C      0.93242362      0.03056867     -0.02293188
+C      2.42165490      0.02787267      0.03716009
+C      3.29580995      1.05965365      0.01712683
+O      4.60900854      0.68433069      0.06851196
+N      4.56836687     -0.72834159      0.24759251
+C      3.23739332     -1.19306239      0.07091574
+O      2.92723949     -2.37838638      0.00586692
+H      0.53203169      1.05105377     -0.06684490
+H      0.50821495     -0.47517613      0.85658975
+H      0.58079871     -0.52237561     -0.90620416
+H      3.15389741      2.13775069     -0.01637972
+H      5.32446056     -1.15551805     -0.29066313 
+
+12
+-1278.15363975817 9.62844 9.78113 -8.998 -7.0432 -10.324 -0.0345 -1.7434 -0.668 9.87027 1.19921 3.9736149154 5.5280769918 0.353757092
+C      1.04237553     -0.03216714      0.11016245
+C      2.37296626      0.03201152      0.00246046
+C      3.30278770      1.20932054      0.03530812
+O      4.54157897      0.74159063     -0.56131245
+N      4.53496488     -0.67109237     -0.28842838
+C      3.23925128     -1.17286060     -0.20414050
+O      2.93292047     -2.35763376     -0.24791445
+H      0.55394374     -1.00789655      0.08893851
+H      0.42022639      0.85629810      0.22266171
+H      3.50180838      1.52529651      1.07649133
+H      2.97706158      2.07439649     -0.55666536
+H      5.21902483     -1.13585336     -0.88617144 
+
+14
+-1422.4876343728079 9.405535 10.13829 -9.1524 -7.1549 -10.895 1.2175 -0.3663 0.21 9.99669 0.45592 4.256749345 6.4837734784 0.08932747
+C      0.96977677     -0.02343379      0.01419681
+C      2.49080279      0.04580966      0.01568956
+C      3.12261115      1.09570441      0.92461993
+O      4.45898631      0.59471661      1.21581650
+N      4.33566600     -0.82843333      1.15401923
+C      3.14044593     -1.22937441      0.58791961
+O      2.72558402     -2.37892375      0.55317777
+H      0.63647422     -0.92117815     -0.52274815
+H      0.53237566      0.85803120     -0.47380360
+H      0.57704602     -0.08275112      1.03975880
+H      2.87079501      0.16380452     -1.01468291
+H      2.54906340      1.18899945      1.86752511
+H      3.26091582      2.08616079      0.47355635
+H      4.68537691     -1.28100207      1.99957498 
+
+14
+-1455.2888312180062 10.74155 10.94763 -9.1202 -7.109 -9.568 0.959 -0.5076 0.399 8.98004 0.2486 5.0607117648 6.4421141824 0.388623532
+C      0.87949857      0.03937621      0.40214126
+C      2.14989989     -0.02310696     -0.01350648
+C      2.99563435      1.17952318     -0.29115767
+O      4.20638049      1.18215057      0.52221975
+N      4.96239784      0.00353757      0.50250870
+C      4.38194962     -1.08362871      0.12882257
+C      2.93180318     -1.28926231     -0.22525466
+H      0.37785837      0.99895762      0.54121775
+H      0.29849860     -0.86117908      0.61059907
+H      2.49462141      2.12320401     -0.04241425
+H      3.31143985      1.19771812     -1.35176949
+H      5.04948749     -1.95051785      0.13766595
+H      2.86555306     -1.61572950     -1.28032041
+H      2.52822728     -2.11846287      0.37682790 
+
+16
+-1600.4528609276695 10.673514 11.33933 -9.1272 -7.1028 -10.41 1.0634 -0.1889 0.485 9.9269 0.12943 5.1259779952 9.2930110706 0.220349871
+C      0.96382821      0.03546653      0.44767117
+C      2.43729435     -0.00788960      0.04687234
+C      2.81935017      1.16697542     -0.84631440
+O      4.22816260      1.18578970     -1.16589688
+N      4.77240003     -0.01704968     -1.64946498
+C      4.09833887     -1.10046743     -1.46976221
+C      2.80611887     -1.27966074     -0.72330046
+H      0.73206722      0.93956878      1.02971218
+H      0.69597169     -0.83657111      1.06211711
+H      0.31327779      0.02943659     -0.44122206
+H      3.06398087      0.05006342      0.95307266
+H      2.64152064      2.13727427     -0.36155337
+H      2.24308718      1.12997675     -1.79125108
+H      4.59731045     -1.98040967     -1.88846261
+H      2.00271502     -1.54756362     -1.43396614
+H      2.90679603     -2.14254961     -0.04461127 
+
+13
+-1338.7662409234797 10.643465 10.38302 -8.22 -6.3054 -8.85 0.9705 -0.5593 0.303 8.19891 0.25565 5.0163123782 5.0163123782 0.220537863
+C      0.85139491     -0.04671021      0.20511894
+C      2.18235520     -0.04422309      0.01808660
+C      3.03826730      1.18431802     -0.13002235
+O      4.25349647      1.06626393      0.63634976
+N      5.04478360     -0.06604045      0.27515786
+C      4.34773975     -1.10093630     -0.06998740
+N      2.97070704     -1.18593967     -0.12500648
+H      0.31019162      0.89448849      0.27409675
+H      0.27770400     -0.97107970      0.28048520
+H      2.53163338      2.07695735      0.25484658
+H      3.29852577      1.33758335     -1.19483612
+H      4.91024282     -1.99984757     -0.32494707
+H      2.53501814     -2.09730415     -0.22574229 
+
+15
+-1478.0528795802352 10.268907 10.73642 -8.2245 -6.2638 -9.54 0.6725 -0.2983 0.671 8.87187 -0.09609 5.4778378646 9.8414631416 0.130646502
+C      0.92437501     -0.00159303      0.31273066
+C      2.42363944     -0.04527888      0.03877713
+C      2.91441844      1.17626145     -0.74401823
+O      4.30902362      1.08555057     -1.04964623
+N      4.68174440     -0.10137983     -1.76722435
+C      3.90957791     -1.12177569     -1.56626693
+N      2.76667557     -1.18804897     -0.80139125
+H      0.67469481      0.85616499      0.95299463
+H      0.59356205     -0.91123422      0.83583507
+H      0.35737726      0.08065571     -0.62578623
+H      2.97633417     -0.07985713      0.99631227
+H      2.80792466      2.09478260     -0.15044651
+H      2.32747026      1.27492644     -1.67645384
+H      4.19407720     -2.02965219     -2.10296010
+H      2.43842520     -2.10882181     -0.52758610 
+
+12
+-1262.946106169917 9.647445 9.72582 -9.0305 -7.0329 -9.64 1.0632 -0.6579 0.121 9.13568 0.43828 5.3737516176 6.3983719216 0.3395284
+C      0.90391468     -0.09555581      0.19892369
+C      2.21365934     -0.01954487     -0.04761403
+C      3.05830510      1.20719521     -0.14884333
+O      4.24014308      1.06824830      0.67259426
+N      4.98214982     -0.09095173      0.35149831
+C      4.29910768     -1.07477657     -0.11415812
+O      2.94400254     -1.18315182     -0.28517444
+H      0.33208776      0.81591896      0.35787572
+H      0.38917594     -1.05416305      0.23712879
+H      2.53299595      2.09426708      0.22242234
+H      3.37681235      1.37109494     -1.19527132
+H      4.82793574     -1.98777063     -0.38424186 
+
+14
+-1407.1531199766778 9.475325 10.10827 -9.0746 -7.0219 -10.553 0.8912 -0.1394 0.299 10.11362 0.237 5.5556018838 12.494441178 0.152898896
+C      0.93249258     -0.02808122      0.26475629
+C      2.41876545     -0.03873515     -0.03002072
+C      2.91973547      1.20294663     -0.75040182
+O      4.32094913      1.09633458     -1.03251460
+N      4.66388056     -0.09846315     -1.72106460
+C      3.83865884     -1.07992678     -1.60640286
+O      2.68797327     -1.18554751     -0.88883788
+H      0.69308616      0.77631091      0.97391794
+H      0.62616809     -0.98281676      0.71181991
+H      0.35176063      0.12746040     -0.65520085
+H      3.00419054     -0.17924838      0.89440308
+H      2.81259195      2.10049097     -0.12616729
+H      2.35670496      1.33999362     -1.69228487
+H      4.07816237     -1.99179816     -2.15555174 
+
+16
+-1592.5615209580037 10.528895 12.01003 -9.3354 -7.208 -10.865 0.8749 -0.029 2.677 10.2783 -2.33244 8.4518280536 11.2947898378 0.325885881
+C      1.11511105     -0.08384866      0.01999919
+C      2.61226761     -0.04645891     -0.16217528
+N      3.23759955     -0.51826482     -1.41706333
+C      3.24884496      0.92665617     -1.09727066
+C      4.57483092      1.55661994     -0.80938801
+C      5.82689734      0.78433444     -0.83289318
+O      5.49710587      1.67810380     -1.91711446
+H      0.80206698      0.56224176      0.85401153
+H      0.77084614     -1.10518796      0.24153744
+H      0.59673636      0.26173265     -0.88741934
+H      3.19417752     -0.33402960      0.72085883
+H      2.50815676     -0.70059303     -2.11493901
+H      2.55838767      1.57066113     -1.65447277
+H      4.53044496      2.45321165     -0.17642820
+H      5.76807117     -0.27898448     -1.08126473
+H      6.66561515      1.10504591     -0.20549804 
+
+18
+-1746.3680763843959 11.119438 12.41593 -9.5649 -7.2731 -10.736 0.7814 -0.1378 2.81 10.17098 -2.52493 8.4965498038 11.1636126498 0.140829782
+C      0.79739468     -0.60585345     -0.42831040
+C      2.27408874     -0.56722382     -0.73287247
+N      2.76777873      0.19296982     -1.90793691
+C      3.06695511      0.67738671     -0.52752968
+C      4.52502370      0.71375491     -0.10720017
+C      5.41186161     -0.36561517     -0.74018430
+O      5.51587229     -0.23934266     -2.15373719
+H      0.61848910     -0.95198839      0.60073851
+H      0.27102786     -1.29301715     -1.10776360
+H      0.34419726      0.39229185     -0.53064705
+H      2.79273558     -1.52357094     -0.61195226
+H      2.00394150      0.73756085     -2.32164477
+H      2.47921381      1.53928564     -0.18987689
+H      4.57739548      0.62737932      0.99232438
+H      4.94134914      1.70011400     -0.37215198
+H      5.04564425     -1.37313708     -0.45220841
+H      6.43135681     -0.27525671     -0.33433101
+H      4.58069436     -0.16783773     -2.46289578 
+
+18
+-1746.2211163668592 11.124772 12.41752 -9.2701 -7.1567 -10.677 0.8235 -0.0938 2.624 10.1269 -2.30754 8.2325960084 11.3114163604 0.163692108
+C      1.13227548     -0.09562939     -0.11146339
+C      2.62285161      0.13694226     -0.10903994
+N      3.48918124     -0.40541866     -1.19046321
+C      3.32685199      1.07323091     -1.03701580
+C      2.59897305      1.86029208     -2.10459005
+C      4.63929404      1.69392100     -0.57379118
+O      5.66107267      1.52685938     -1.55784242
+H      0.63327524      0.57847275      0.60116997
+H      0.90577127     -1.12788385      0.19493902
+H      0.68214149      0.06681807     -1.10004501
+H      3.08142272      0.01157626      0.87917854
+H      2.88637359     -0.72170604     -1.95976827
+H      1.72662538      1.32618443     -2.50330160
+H      3.28272663      2.06880416     -2.94050218
+H      2.25129154      2.82672196     -1.70745476
+H      4.94165272      1.24000665      0.38840181
+H      4.52799610      2.77849580     -0.42042031
+H      5.66928324      0.56582221     -1.73989120 
+
+16
+-1620.1583103178518 10.822193 11.99211 -9.1008 -7.086 -10.558 1.1062 -0.6565 0.138 9.58419 0.57766 3.729374894 11.957333826 0.18079462
+C      0.85470899     -0.00574973     -0.43826706
+C      2.18785104      0.51469803      0.03710704
+N      3.39090169     -0.32209597      0.01162568
+C      3.28183850      0.80415625     -0.95683309
+C      4.21242368      1.97362258     -0.80950176
+C      4.87108734      2.19460223      0.53289146
+O      4.39632414      2.71754638     -1.76708096
+H      0.16451957      0.82216072     -0.65568625
+H      0.38804301     -0.63874337      0.33144539
+H      0.96499937     -0.60426376     -1.35456623
+H      2.14292304      1.15852438      0.92199969
+H      3.18973275     -1.19812018     -0.48419968
+H      3.04534570      0.58260245     -2.00190372
+H      4.12794786      2.56579521      1.25642784
+H      5.66451651      2.94218635      0.43015490
+H      5.25662681      1.24811843      0.93478673 
+
+16
+-1612.543948166037 10.727451 11.99677 -9.4029 -7.2539 -10.921 1.2065 -0.849 -0.113 10.17963 0.74326 3.676680844 11.9300197102 0.152791116
+C      0.95564821     -0.33776806     -0.04561745
+C      2.44105512     -0.33783721     -0.30341377
+N      2.97608286     -0.18345940     -1.67838668
+C      3.14787339      0.91122300     -0.69052946
+C      4.56758626      1.19552456     -0.27125467
+C      4.71141438      1.92814207      1.03925998
+O      3.78925642      2.31156358      1.73620694
+H      0.74581764     -0.15578432      1.01855343
+H      0.50508606     -1.30334516     -0.31947181
+H      0.45320698      0.45136443     -0.62513334
+H      3.00998912     -1.06852233      0.28320030
+H      2.20222005      0.05199611     -2.31023906
+H      2.51428254      1.79753028     -0.79706844
+H      5.09960702      1.79370283     -1.03598751
+H      5.14978040      0.25900066     -0.20533547
+H      5.77417355      2.11519896      1.34776702 
+
+15
+-1458.626699354838 11.139294 11.93232 -9.14 -7.0695 -10.373 1.3538 -0.3254 0.365 9.90062 0.23957 5.4833676402 6.3925073838 0.25172966
+C      0.94169497      0.34517868     -0.31921754
+C      2.36060707      0.06253242      0.10755647
+N      3.12004261     -1.06359858     -0.46068530
+C      3.49937917      0.33371821     -0.82826233
+C      4.81224802      0.79017246     -0.34239835
+N      5.48153954      1.63052130     -1.04503307
+O      6.70064397      1.96738020     -0.40657536
+H      0.64256742      1.36615662     -0.03925302
+H      0.24169788     -0.35361043      0.16338077
+H      0.82649868      0.24598161     -1.40929347
+H      2.55742598      0.19944402      1.17689883
+H      2.59276698     -1.47186156     -1.24123090
+H      3.23190992      0.70160544     -1.82299353
+H      5.18961201      0.39920186      0.61252535
+H      7.09841579      2.58315776     -1.04811855 
+
+15
+-1514.6453467954866 10.31396 11.3312 -9.1962 -7.1834 -10.656 0.8133 -0.1252 0.464 9.6422 0.17857 4.3394604056 12.0160783928 0.281218028
+C      0.89140492     -0.07018763     -0.45715750
+C      2.17533434      0.55619069      0.02499321
+N      3.43727518     -0.20805748      0.03501122
+C      3.26639454      0.89572101     -0.94317355
+C      4.12748145      2.12195611     -0.76045217
+N      4.86431671      2.11229562      0.39032110
+O      4.11113533      3.04479790     -1.57483077
+H      0.15316569      0.70424282     -0.71133193
+H      0.45156516     -0.71205642      0.32078134
+H      1.06009682     -0.68346991     -1.35512573
+H      2.07837796      1.21211443      0.89658383
+H      3.30616677     -1.10997981     -0.43550954
+H      3.07809703      0.65927067     -1.99320401
+H      4.94004703      1.23278519      0.89824665
+H      5.52934106      2.86186682      0.54513785 
+
+14
+-1446.7587284217784 9.496983 10.55438 -9.8813 -7.7863 -11.205 0.6396 -0.3332 0.056 10.2448 0.55191 4.3047443256 11.9530067146 0.186477359
+C      0.92432766     -0.01495943     -0.39915636
+C      2.25826066      0.53773046      0.03198175
+N      3.47970442     -0.28543244     -0.04874346
+C      3.31357406      0.85334813     -0.98467739
+C      4.27756407      1.99005285     -0.74942514
+O      5.07612722      1.79759504      0.32950765
+O      4.32149084      2.98525315     -1.44256046
+H      0.21425371      0.80120354     -0.59439369
+H      0.49515061     -0.65376067      0.38654710
+H      1.01602647     -0.61148219     -1.31880150
+H      2.23657480      1.16722683      0.92734261
+H      3.29770210     -1.17867407     -0.51725343
+H      3.06802651      0.66935400     -2.03249221
+H      4.86412689      0.87509480      0.63654453 
+
+18
+-1742.801830409727 11.117956 12.30192 -8.8115 -6.6691 -10.255 0.8728 -0.0896 2.869 9.55523 -2.59484 8.1799019584 10.4344385852 0.089995646
+C      0.98785711      0.18140467      0.33656102
+C      2.41361068     -0.17431239     -0.06505117
+N      3.47407345      0.78534993      0.37189300
+C      3.87109492     -0.11807242      1.48480784
+C      3.09189373     -1.27583052      0.80517468
+C      3.95180752     -2.25078812      0.01296480
+O      4.68355786     -3.16076038      0.84518884
+H      0.29023203     -0.62320879      0.05686562
+H      0.65604088      1.09957238     -0.17258967
+H      0.90454268      0.34087459      1.42281569
+H      2.45269722     -0.36485940     -1.15357545
+H      3.11748716      1.69755013      0.66749717
+H      4.96471848     -0.24309481      1.58555047
+H      3.46404580      0.14935114      2.47533599
+H      2.41199032     -1.83504005      1.46402152
+H      4.63087738     -1.69036298     -0.65686211
+H      3.31021989     -2.88581893     -0.61797367
+H      5.34068291     -2.64063404      1.34049542 
+
+18
+-1745.7742167154258 11.338442 12.57278 -8.8564 -6.7153 -10.094 0.7972 -0.1618 2.936 9.64265 -3.03716 7.8899606974 11.0834928966 0.281395544
+C      0.90466292      0.01210295     -0.13788090
+C      2.41049606      0.00327359      0.02682457
+N      2.78633533     -0.05648117      1.43214161
+C      3.24074203     -0.66450204     -1.06092819
+C      3.22037069      0.85911384     -0.91908883
+C      4.47963928      1.58852061     -0.52310092
+O      5.36115761      1.79000888     -1.63757874
+H      0.62075551      0.08739448     -1.19605779
+H      0.46583846      0.85932545      0.40852291
+H      0.46413219     -0.91628646      0.26088626
+H      3.80188794     -0.05548567      1.54297770
+H      2.45793500     -0.94327542      1.82720234
+H      2.74068418     -1.12112632     -1.91729170
+H      4.15110692     -1.17595989     -0.73666213
+H      2.63630750      1.39590716     -1.67258051
+H      5.00951954      1.05375743      0.28911978
+H      4.24579417      2.59676483     -0.14984079
+H      5.43756466      0.93157775     -2.09257466 
+
+18
+-1752.9894512138185 11.312346 12.37846 -8.6433 -6.5498 -10.054 0.733 -0.244 2.889 9.74783 -2.55562 7.8546866804 9.8566142308 0.164755816
+C      1.00961671      0.00176403     -0.16176710
+C      2.51835552     -0.00486857     -0.03225776
+N      3.06180216     -0.10771571      1.31783296
+C      3.37001238     -0.68512871     -1.09647688
+C      3.42515167      0.82616424     -0.94504585
+C      2.90178254      1.73793879     -2.02491894
+O      4.56453801      1.37549310     -0.32535331
+H      0.68377173      0.11597209     -1.20430124
+H      0.56702850      0.82989454      0.41609064
+H      0.58348484     -0.94143971      0.21767918
+H      3.00421344     -1.06873570      1.66401185
+H      2.52403165      0.47899800      1.96157850
+H      2.84952519     -1.11227498     -1.95607075
+H      4.24818105     -1.23928362     -0.76013625
+H      2.05604752      1.29394565     -2.56432471
+H      3.70165907      1.93401587     -2.75411647
+H      2.58643764      2.70271236     -1.60072804
+H      4.55569035      0.96780832      0.57435417 
+
+18
+-1747.62973260075 11.105824 12.16705 -8.7419 -6.6415 -10.26 0.8911 -0.0777 2.696 9.66306 -2.38926 7.9963654826 13.4966696104 0.07255731
+C      0.94892087      0.04959030      0.03452722
+C      2.46090823     -0.04393697      0.04839005
+N      3.20990333      1.01572882      0.80815585
+C      4.16639114     -0.02873344      1.30382478
+C      3.21481629     -1.16756324      0.83816643
+C      2.43443247     -1.80684147      1.97434734
+O      3.76663522     -2.24255492      0.08020219
+H      0.51115548     -0.78721993     -0.52909213
+H      0.62995391      0.98390389     -0.45087161
+H      0.52810575      0.03356064      1.05133378
+H      2.83104403     -0.03845208     -0.99621300
+H      2.62528865      1.33136684      1.58890987
+H      5.10585497      0.00125012      0.72525079
+H      4.41260696      0.01457069      2.37559582
+H      1.99508421     -1.04492890      2.63289999
+H      3.10977517     -2.43353496      2.57356692
+H      1.62732058     -2.44242344      1.58415895
+H      4.26559276     -1.85435197     -0.66094323 
+
+16
+-1611.1741619583331 10.671483 11.63309 -8.9384 -6.807 -10.445 1.0579 -0.8897 0.013 10.00194 0.64734 3.693914898 8.2019714664 0.098671402
+C      0.97962224      0.10581494      0.38101132
+C      2.40645421     -0.16470525     -0.07566810
+N      3.43310870      0.83935909      0.33773733
+C      3.96538321     -0.06840672      1.39593315
+C      3.18352831     -1.23640356      0.75976924
+C      3.98476858     -2.21031361     -0.06303011
+O      5.18241297     -2.40015047      0.03661774
+H      0.31435595     -0.72888164      0.11102338
+H      0.58513877      1.01231768     -0.10288076
+H      0.92716489      0.24635383      1.47202860
+H      2.41765895     -0.34229982     -1.16657431
+H      3.03083183      1.71038818      0.69261372
+H      5.05940653     -0.18098601      1.37930263
+H      3.63614543      0.16455080      2.42204377
+H      2.53586112     -1.82491621      1.43105102
+H      3.37573834     -2.78586125     -0.81130863 
+
+16
+-1616.3078462154228 10.292453 11.29692 -8.9692 -6.8384 -10.176 0.9837 0.0955 2.799 9.49919 -2.48192 7.9905629378 10.9662145392 0.162529987
+C      1.07759577      0.24663929      0.55084958
+C      2.33763243     -0.20971410     -0.17364281
+N      2.17899183     -1.57054036     -0.74330536
+C      3.05929079     -1.64683080     -1.92723531
+C      3.20406663     -0.21965483     -2.43286207
+O      1.93808806      0.47967308     -2.52648423
+C      2.76248218      0.66802096     -1.34966571
+H      1.23452080      1.21975413      1.03629712
+H      0.79381244     -0.47928694      1.32522114
+H      0.24224004      0.34965739     -0.15823239
+H      3.18610636     -0.22208568      0.53897134
+H      1.21504648     -1.63425886     -1.08081748
+H      4.05926640     -2.02356657     -1.64412061
+H      2.63957829     -2.33845232     -2.67184763
+H      3.96135350      0.06291013     -3.17013232
+H      3.15847799      1.67726548     -1.19995324 
+
+18
+-1762.6038556612857 11.006636 12.07631 -8.7964 -6.718 -10.219 0.8977 -0.0696 2.796 9.48982 -2.50602 8.0704471176 13.015182378 0.153083912
+C      1.00479522      0.03976168      0.02249103
+C      2.52409771      0.00526087      0.07344889
+N      3.09744316      1.11384196      0.85293650
+C      4.46018257      0.65957073      1.18538630
+C      4.36319139     -0.85803572      1.45730019
+C      3.12730487     -1.32035666      0.63833624
+O      3.39649071     -2.29523706     -0.37695221
+H      0.62414153     -0.79500865     -0.58177281
+H      0.64469556      0.98031809     -0.41660438
+H      0.57772703     -0.05424847      1.03440211
+H      2.91420404      0.10446002     -0.96113524
+H      2.55919625      1.21391338      1.72072650
+H      5.10929396      0.85729257      0.31449002
+H      4.86549221      1.23593915      2.02791979
+H      5.25954309     -1.42361805      1.16279245
+H      4.20121964     -1.04524415      2.52952632
+H      2.39469607     -1.81946389      1.29150346
+H      3.99631498     -1.88482580     -1.02682519 
+
+12
+-1358.8717421989415 10.017931 10.4143 -9.5039 -7.4925 -9.586 -1.4491 -3.2734 -1.826 9.08754 2.19925 2.7918175592 6.8882406076 0.628075443
+C      0.97793293      0.07651650     -0.00640635
+C      2.45788334      0.04296776     -0.00194744
+N      3.23811325      1.06891778      0.00152204
+C      4.60155268      0.54550455      0.00442550
+C      4.68810570     -0.79831997      0.00301720
+C      3.28641630     -1.27893211     -0.00082455
+O      2.83591972     -2.41159233     -0.00263243
+H      0.61420205      1.10969886      0.00090957
+H      0.58177101     -0.46542985      0.86618256
+H      0.58785565     -0.44981207     -0.89133981
+H      5.41200897      1.27320918      0.00734642
+H      5.57199840     -1.42767831      0.00476729 
+
+18
+-1755.0947933679724 11.113052 12.09528 -9.1744 -7.041 -10.403 0.7945 -0.1793 2.737 9.83574 -2.45624 8.1667594424 12.95963665 0.067718979
+C      0.97977506      0.07939185      0.04312518
+C      2.50171708      0.04375271      0.01852464
+N      3.07463718      0.03618867     -1.34279234
+C      3.26620382      1.06261123      0.91269810
+C      4.23198665     -0.06175566      1.37216422
+C      3.21631247     -1.10612603      0.83029940
+O      3.69545064     -2.20190898      0.08403169
+H      0.59637933      0.03462974      1.07380257
+H      0.56188418     -0.78037687     -0.50465875
+H      0.59542304      1.00058846     -0.42283204
+H      3.15095051      0.99097471     -1.70039871
+H      2.44857551     -0.46468087     -1.97883643
+H      2.62801778      1.43405669      1.72650578
+H      3.71056462      1.92570835      0.39539043
+H      5.15559433     -0.07855740      0.77774258
+H      4.49036413     -0.11352583      2.43817542
+H      2.56738320     -1.50772020      1.62369366
+H      4.04905046     -1.78469056     -0.73298540 
+
+16
+-1612.1451185952817 10.702383 11.63633 -8.6893 -6.6536 -10.257 0.8795 -0.8921 0.331 9.63273 0.44445 3.7492002554 11.6565809858 0.095769578
+C      0.96762333     -0.22953973      0.28210110
+C      2.43677324      0.06145716     -0.02815161
+N      3.22342052      0.92257955      0.92005913
+C      2.53790224      1.81853606      1.83240387
+C      3.95078812     -0.23055700      1.50131899
+C      3.38120832     -1.08935626      0.36685593
+O      3.57001707     -2.21093855     -0.03755535
+H      0.59487150     -0.98406976     -0.42416811
+H      0.35347744      0.67496561      0.16777356
+H      0.82482250     -0.61909461      1.29995062
+H      2.54116844      0.39541227     -1.07538299
+H      1.96321359      2.56401861      1.26410811
+H      3.28461099      2.36488871      2.42695261
+H      1.84761684      1.31074164      2.53971058
+H      5.04596828     -0.12656120      1.55808311
+H      3.57211756     -0.57596251      2.48674042 
+
+18
+-1747.369192355368 11.162171 12.38726 -8.6968 -6.6222 -10.227 0.9325 -0.0238 2.822 9.60897 -2.5592 8.021956193 12.1626298448 0.088577982
+C      0.92833224      0.02204430      0.11877245
+C      2.43746527     -0.03960841     -0.00193519
+N      3.23022656      1.02042541      0.72087405
+C      4.20790316     -0.02345996      1.20259713
+C      5.52538587      0.03831789      0.44215055
+C      3.21454967     -1.14068788      0.76153496
+O      3.66460156     -2.30922089      0.09694551
+H      0.46487547     -0.82530083     -0.40754343
+H      0.53241962      0.94975116     -0.32054948
+H      0.61437626     -0.02048752      1.17419236
+H      2.72264821     -0.02598218     -1.07107419
+H      2.67766163      1.36325153      1.51313475
+H      4.40419255      0.01505806      2.28621413
+H      5.36522464      0.05286029     -0.64738049
+H      6.16749820     -0.81894369      0.69370787
+H      6.06262696      0.96200899      0.69795970
+H      2.62740091     -1.50193214      1.62082764
+H      4.22671124     -2.02893413     -0.64797833 
+
+16
+-1621.0483148910566 10.723014 11.84327 -9.1873 -7.0974 -10.317 0.7777 -0.9558 0.324 9.59225 0.46429 3.7217869508 12.83131114 0.093698164
+C      0.91740234     -0.00766005      0.39245254
+C      2.31966287     -0.03060688     -0.20778070
+N      3.29711611      1.00284700      0.27316434
+C      4.12908022     -0.00834488      1.00913572
+C      5.61758160     -0.00460278      0.69560643
+C      3.25916891     -1.10478262      0.36839954
+O      3.30388577     -2.31142630      0.32473628
+H      0.34197868     -0.87937814      0.04991267
+H      0.37947166      0.89821537      0.07686896
+H      0.94906036     -0.02864326      1.49206675
+H      2.25767919     -0.05721590     -1.31012927
+H      2.86227850      1.68639294      0.89684675
+H      3.96946801     -0.00352792      2.10514363
+H      5.78034964     -0.00432203     -0.39061374
+H      6.09844956     -0.89478578      1.12606149
+H      6.10112656      0.88835124      1.11572862 
+
+16
+-1637.9287537049092 10.455847 11.44793 -8.6724 -6.6147 -10.272 0.9348 -0.8074 0.277 9.61257 0.48501 3.718092168 11.8013842352 0.114262015
+C      0.99227213      0.02360580      0.06096361
+C      2.51263972      0.02783017      0.04836707
+N      3.12533957      1.12659287      0.81624622
+C      4.47595534      0.64131940      1.18723047
+C      4.34826139     -0.86936998      1.44372153
+C      3.14348658     -1.27299461      0.59041276
+O      2.74404621     -2.40348857      0.38202363
+H      0.61988015     -0.85975380     -0.47381666
+H      0.59306554      0.92726580     -0.41758285
+H      0.60982173     -0.02349844      1.09268303
+H      2.86361643      0.10984523     -1.00152602
+H      2.57775113      1.25431006      1.67422933
+H      5.15731450      0.83018627      0.34084107
+H      4.85591668      1.20635654      2.04760823
+H      5.22588629     -1.47946412      1.18893497
+H      4.09714660     -1.08023261      2.49675359 
+
+13
+-1355.9164763418173 10.145147 10.51092 -8.5678 -6.5492 -8.382 0.6046 -0.5261 0.7 7.964 -0.00563 4.7193907054 6.5646991406 0.254468249
+C      0.92486112      0.09167547     -0.07172947
+C      2.41178790      0.07889836     -0.03009685
+N      3.22309039      1.12457750      0.07410549
+C      4.51041699      0.62382237      0.06020165
+C      4.50705093     -0.74735222     -0.05308389
+N      3.16273359     -1.07085385     -0.09188778
+O      2.65848590     -2.35609899     -0.30913704
+H      0.59380896      1.13460219     -0.12077513
+H      0.48170504     -0.37008320      0.82439630
+H      0.54155313     -0.44930416     -0.94857705
+H      5.37257676      1.28135757      0.12837218
+H      5.27741329     -1.50637072     -0.12057912
+H      2.53486600     -2.73169033      0.58689072 
+
+15
+-1480.1771118928102 10.395648 11.03129 -8.7378 -6.7135 -9.664 0.8882 -0.2771 0.833 9.05918 -0.16798 5.0319470128 12.261719456 0.157188082
+C      1.14474069      0.13704610      0.17255812
+C      2.61598622     -0.00318657     -0.01841115
+N      3.26975553     -1.11042715      0.04845200
+C      4.68207444     -0.78090380     -0.23554237
+C      4.78211114      0.74731690     -0.07928586
+N      3.38998829      1.13326104     -0.38940992
+O      2.99670686      2.33397020      0.31150814
+H      0.71502297     -0.84969402      0.37207294
+H      0.67841457      0.56644572     -0.72604305
+H      0.92589913      0.81453220      1.00956742
+H      5.35281077     -1.33677958      0.43366489
+H      4.91308365     -1.08593160     -1.27041546
+H      5.49052863      1.22670912     -0.76659780
+H      5.01581470      1.04179240      0.95848702
+H      2.85924239      2.96911904     -0.41515491 
+
+13
+-1390.0316606236174 10.225872 10.83577 -7.9401 -5.8866 -7.941 0.7459 -0.23 0.451 7.61299 0.24899 4.0751222536 12.8083489328 0.326403212
+C      1.02555678     -0.03886035     -0.00531627
+C      2.50268377      0.09310220      0.01192909
+N      3.24028822      1.16026650     -0.03678209
+C      4.55965202      0.70338273     -0.01365724
+C      4.55332707     -0.66177136      0.05879095
+N      5.51483918     -1.65366511      0.21275948
+O      3.24627393     -1.08445298      0.07994951
+H      0.58980739      0.96312249     -0.07787774
+H      0.65349201     -0.52349568      0.90951117
+H      0.68527797     -0.63794590     -0.86306419
+H      5.40656844      1.38065023     -0.05012477
+H      6.45177710     -1.31395121      0.00583093
+H      5.31285612     -2.49356156     -0.33036882 
+
+18
+-1760.6561783239376 10.962144 11.95174 -9.0165 -6.8558 -10.463 0.8424 -0.1321 2.804 9.80733 -2.5043 8.1989710052 10.9968886756 0.132955883
+C      0.95560050     -0.01924154      0.05089391
+C      2.47848721      0.03292276     -0.05385601
+N      2.85702000      0.04284339     -1.48109530
+C      3.11403372      1.18890679      0.78113550
+C      4.45960246      0.60567417      1.27556889
+O      4.53334781     -0.74977414      0.78230553
+C      3.17817160     -1.17219038      0.59499838
+H      0.63155732     -0.09648342      1.09860132
+H      0.56594959     -0.88078198     -0.50879708
+H      0.50209974      0.88862263     -0.37541645
+H      3.87814360     -0.00612861     -1.55231624
+H      2.57979720      0.93248298     -1.90545915
+H      2.46976507      1.45301781      1.63289437
+H      3.24230776      2.09102171      0.16707190
+H      5.34252166      1.13790309      0.89353203
+H      4.50875828      0.60177130      2.38001279
+H      3.18467805     -2.06004227     -0.05106790
+H      2.70182841     -1.42061428      1.56547353 
+
+18
+-1751.4383680343963 11.236535 12.19894 -8.8536 -6.712 -10.239 0.8681 -0.1135 2.841 9.66063 -2.60513 8.1459173958 11.688532178 0.129070073
+C      0.85821443     -0.00815481      0.13519694
+C      2.36650342      0.03695044     -0.06234489
+N      2.66343687      0.04135121     -1.50046737
+C      3.15320929      1.09551171      0.80188738
+C      4.20069658      0.01548165      1.14497379
+O      5.34180733      0.18556174      0.28775192
+C      3.20495233     -1.06962482      0.65424815
+H      0.59831499     -0.05460918      1.20222886
+H      0.43337198     -0.88600190     -0.37238062
+H      0.38103307      0.89127038     -0.28713680
+H      3.67648437      0.12821825     -1.62979606
+H      2.25050352      0.87699223     -1.92750167
+H      2.59408634      1.42026387      1.69169930
+H      3.54431377      1.97586645      0.27295305
+H      4.51883969     -0.04778992      2.19985756
+H      5.90871954     -0.59898010      0.39423851
+H      3.61198534     -1.85753177      0.00358405
+H      2.65503716     -1.53181542      1.48708790 
+
+15
+-1474.5063459913288 10.437901 11.01401 -8.4375 -6.4633 -9.714 0.8799 -0.063 0.847 9.10666 -0.19746 4.687724681 12.4839519624 0.203272185
+C      1.04083356     -0.08870401      0.16963912
+C      2.53290074      0.05236980      0.02565332
+N      3.10497747      1.19660663      0.15845729
+C      4.56082542      1.24616591      0.01890623
+C      5.22832830     -0.12061163      0.12675010
+O      4.52509391     -1.06191624     -0.70103211
+N      3.19526641     -1.17380091     -0.15338772
+H      0.78290136     -0.86609044      0.90322055
+H      0.57647964     -0.36155554     -0.79122459
+H      0.63175841      0.87185844      0.49909385
+H      4.80226741      1.70919046     -0.95287636
+H      4.95856196      1.92217408      0.79526256
+H      6.25720934     -0.11875895     -0.25938339
+H      5.23054676     -0.48532155      1.16902557
+H      2.71336930     -1.82895604     -0.77196443 
+
+13
+-1404.7534585119392 9.735203 10.47708 -9.3744 -7.3681 -10.16 1.1467 -0.5826 0.094 9.85131 0.35687 4.2985202284 8.0833416616 0.22066373
+C      1.06399977      0.03345329      0.06031046
+C      2.55074960     -0.04410744     -0.01556991
+N      3.24019325     -1.13536461     -0.00394318
+C      4.64435121     -0.73389933     -0.09786920
+C      4.67693578      0.79677940     -0.16846074
+O      5.61508137      1.57029563     -0.25496685
+N      3.31978492      1.12830692     -0.10882932
+H      0.65863463     -0.98148884      0.12595565
+H      0.65014514      0.53010159     -0.82976496
+H      0.74416764      0.60737461      0.94260981
+H      5.21719219     -1.08880886      0.77294538
+H      5.12125798     -1.16764573     -0.99053776
+H      2.97138653      2.08274336     -0.13516938 
+
+13
+-1393.921735879111 10.046281 10.69897 -7.8037 -5.8613 -8.045 0.7631 -0.2529 0.815 7.67903 -0.09233 4.5241127554 12.6372358542 0.249229524
+C      0.97884482      0.00269510     -0.00417782
+C      2.46840788      0.03810575     -0.00546402
+N      3.22600058      1.11923712     -0.00813179
+C      4.54255419      0.67915665     -0.01005030
+C      4.56727590     -0.69638942     -0.00832786
+O      5.54053433     -1.65665016     -0.00844329
+N      3.25241453     -1.10596510     -0.00545246
+H      0.61451804      1.03606269      0.00589117
+H      0.57649606     -0.51371271      0.88133268
+H      0.57463484     -0.49664979     -0.89867405
+H      5.38137531      1.36915788     -0.01225495
+H      6.40330236     -1.20734184     -0.01018253
+H      2.94316116     -2.07326617     -0.00342479 
+
+12
+-1319.8246636597023 9.319484 10.09163 -8.4063 -6.3271 -8.407 0.7452 -0.3328 0.253 8.09665 0.42312 4.2721608048 11.8270741344 0.278243839
+C      1.02192313     -0.02764669     -0.00481646
+C      2.49926701      0.09731637     -0.00604926
+N      3.23999730      1.16502246     -0.00684883
+C      4.55881489      0.70369950     -0.00913187
+C      4.53287491     -0.66005372     -0.00949910
+O      5.43516169     -1.66657792     -0.01085810
+O      3.23692906     -1.08457551     -0.00760294
+H      0.59021171      0.97851259      0.00532245
+H      0.66705851     -0.57798767      0.87872361
+H      0.66394426     -0.56088733     -0.89765749
+H      5.41127232      1.37468138     -0.01018998
+H      6.32548521     -1.27302345     -0.01162205 
+
+11
+-1259.2391740982703 10.003618 9.76124 -9.0267 -7.1284 -9.328 -0.5617 -2.2605 -0.96 8.94767 1.45721 3.9469331282 4.4838792984 0.357989428
+C      1.04195374     -0.01761600     -0.10800482
+C      2.37031323     -0.04670128      0.09864787
+N      3.15162595     -1.20386748      0.30139582
+C      4.36674061     -0.76808836      0.45670819
+N      4.51712734      0.60915743      0.38126688
+C      3.25020566      1.17985157      0.14638395
+O      2.99692067      2.36700258      0.02309619
+H      0.54071125      0.93887919     -0.25329586
+H      0.46078718     -0.93849817     -0.13163628
+H      5.22931588     -1.41106271      0.63517568
+H      5.37783846      1.13960322      0.47591237 
+
+11
+-1242.1865860356118 9.17451 9.60507 -10.1894 -8.1279 -10.936 -1.7855 -3.6471 -1.984 10.13371 2.3229 3.0117191288 7.193605727 0.304685206
+C      0.98782911      0.06896514     -0.00541662
+C      2.46469917      0.06539328     -0.00212862
+N      3.24224618      1.09466139      0.00120072
+C      4.57774325      0.50715222      0.00232453
+N      4.70037473     -0.77765158      0.00027187
+C      3.33227309     -1.22510604     -0.00261330
+O      2.94433474     -2.37008499     -0.00445583
+H      0.59599437      1.09130926      0.00423842
+H      0.60838597     -0.48782165      0.86510812
+H      0.61307086     -0.46806702     -0.89043379
+H      5.43077854      1.18859000      0.00490450 
+
+17
+-1622.2060390323425 10.798046 11.70405 -8.7769 -6.6194 -9.933 0.6699 -0.3095 2.865 9.54308 -2.50984 7.7897428136 12.9672369918 0.130560701
+C      0.97227501     -0.12883859     -0.05447053
+C      2.48095937     -0.09211293      0.02198261
+N      3.10046498     -0.06383427      1.33842408
+C      3.33850519     -0.80547354     -1.04672941
+N      2.80140437     -1.52366826     -2.17618900
+C      3.29621310      0.70331411     -0.99032744
+O      4.39676467      1.43732216     -0.53458329
+H      0.61754800     -0.12512787     -1.09520759
+H      0.53298210      0.74880591      0.44605478
+H      0.56868859     -1.03237786      0.43259692
+H      3.09481646     -0.98873215      1.77565408
+H      2.59383046      0.57215150      1.96012482
+H      4.26604817     -1.23087934     -0.64641106
+H      2.30478089     -0.90424733     -2.81734628
+H      2.15316725     -2.26136068     -1.89220159
+H      2.75621071      1.22145737     -1.78996455
+H      4.50807068      1.12792175      0.39544345 
+
+15
+-1513.864227269314 10.289635 10.94154 -9.1412 -7.0787 -10.409 0.7295 -0.2466 0.66 9.61185 0.05005 4.366600941 6.4737926054 0.121095383
+C      0.97868663     -0.02158825      0.17900837
+C      2.47494997      0.05925158     -0.10496594
+N      2.71279529      0.02800502     -1.53345690
+C      3.24408891      1.10557849      0.80433971
+N      3.89433286     -0.03867962      1.45502404
+C      3.29427242     -1.02086990      0.69457916
+O      3.38071195     -2.23176621      0.68916854
+H      0.77668268     -0.02212931      1.25850052
+H      0.57338028     -0.94372441     -0.25695714
+H      0.45262322      0.83716748     -0.26740961
+H      3.70925216      0.08408165     -1.75286742
+H      2.24149235      0.80605512     -2.00036925
+H      2.61180034      1.70833890      1.47458235
+H      3.93720879      1.75521871      0.24809248
+H      4.50741216     -0.10413925      2.26604110 
+
+13
+-1399.277076797369 9.580871 10.11176 -9.4451 -7.4251 -10.292 0.8564 -0.8606 -0.022 9.69689 0.3601 4.288179796 8.349775177 0.207813444
+C      1.01580813     -0.01925136     -0.10712104
+C      2.53778639     -0.03070225      0.03721576
+N      3.14936169     -1.25781989     -0.50539201
+C      4.01731758     -0.86417721     -1.36896820
+N      4.12984018      0.51776517     -1.53320822
+C      3.21076724      1.15043285     -0.68699095
+O      3.02207770      2.35015871     -0.58474635
+H      0.61346544      0.92710800      0.27688391
+H      0.58043184     -0.85526622      0.45400821
+H      0.72724562     -0.12195134     -1.16207634
+H      2.80123315      0.03991363      1.10737329
+H      4.64847788     -1.53390298     -1.95707050
+H      4.73737718      1.00712290     -2.18490758 
+
+13
+-1390.7859441273201 10.127229 10.84969 -7.8792 -5.9308 -8.092 1.0677 -0.0407 0.353 7.54188 0.28476 4.1253117864 6.7634363 0.274365841
+C      1.02185404     -0.00302686      0.01311731
+C      2.50369091      0.08614854     -0.01643662
+N      3.24788808      1.16086119     -0.06882648
+C      4.55717961      0.69339268     -0.07611940
+N      5.61414735      1.59539041     -0.20031025
+C      4.54632722     -0.67404776     -0.02529196
+O      3.21449047     -1.07656484      0.01419098
+H      0.60592601      1.00945911      0.00734826
+H      0.67432934     -0.52959982      0.91354653
+H      0.64123791     -0.55080501     -0.86121172
+H      6.47728951      1.28851817      0.24175940
+H      5.34710801      2.52426548      0.12172270
+H      5.29294153     -1.45729130     -0.01895874 
+
+13
+-1376.9422436206155 11.012099 10.8886 -8.2168 -6.244 -8.808 0.7855 -0.1365 0.609 8.17451 -0.04419 4.938486366 5.3704783872 0.455568674
+C      1.11609168     -0.03905026      0.30389587
+C      2.38403670      0.01388910     -0.13124821
+N      3.15031461      1.13787586     -0.43647184
+C      4.42565459      0.83155764     -0.86072247
+N      5.30165042      1.70540668     -1.19488317
+C      4.46439009     -0.68838280     -0.81402775
+O      3.16228308     -1.10130579     -0.35356734
+H      0.65094138     -1.00012544      0.49978782
+H      0.54946549      0.87391462      0.46211755
+H      2.81266780      2.09192965     -0.36097375
+H      6.17655579      1.24974622     -1.47617198
+H      4.65105552     -1.11888883     -1.81040942
+H      5.23063285     -1.05214665     -0.11154532 
+
+14
+-1512.3554284956306 10.401197 11.29373 -8.6832 -6.5944 -8.262 1.5086 -0.1297 0.27 7.79675 0.39075 4.1713353896 11.512844016 0.264597387
+C      0.92755283     -0.18160036     -0.00537984
+C      2.39480187      0.03679908     -0.00294458
+C      3.20640209      1.13926531     -0.00706360
+C      2.83968710      2.59067337     -0.01552803
+N      4.54133255      0.71986105     -0.00293958
+C      4.47821007     -0.57744440      0.00326430
+O      3.20965844     -1.08555169      0.00377009
+H      0.41029211      0.78566788      0.00256699
+H      0.60159689     -0.75158397      0.87795430
+H      0.60169146     -0.73642234     -0.89850777
+H      3.75628160      3.19238460     -0.00167938
+H      2.23745440      2.86719618      0.86243155
+H      2.26685221      2.86430084     -0.91394847
+H      5.29107640     -1.29710556      0.00858402 
+
+16
+-1643.0735860044067 10.738312 11.83945 -9.2477 -7.2574 -10.568 0.7766 -0.184 0.678 9.62065 0.0342 4.4116326562 6.4393616932 0.136945667
+C      0.89707148      0.08580151      0.20538908
+C      2.39544163     -0.06732246      0.00546946
+N      3.23926080      0.90584993      0.73459539
+C      3.98465706     -0.03751417      1.41173868
+O      4.94237387      0.04305151      2.15713188
+C      3.13494413     -1.18930324      0.80801114
+C      3.90137895     -2.25400258      0.03911629
+H      0.36156191     -0.75276360     -0.26328699
+H      0.52529497      1.01430765     -0.25266143
+H      0.64695817      0.10675317      1.27587255
+H      2.64685586     -0.10499706     -1.06889534
+H      3.37939398      1.90922172      0.61874538
+H      2.48083777     -1.63925882      1.57117303
+H      4.53449871     -1.80521560     -0.74047516
+H      3.21911787     -2.97013534     -0.44161272
+H      4.55754283     -2.81376262      0.71998877 
+
+13
+-1387.3684685417788 10.102127 10.57053 -8.0083 -5.9697 -7.946 0.6988 -0.3058 0.289 7.57256 0.37699 3.9416885204 12.0173926444 0.303439259
+C      0.92194708     -0.10799601     -0.03807712
+C      2.40865345      0.01391592     -0.00156402
+C      3.19482985      1.13456191      0.07650469
+N      2.96271167      2.49584937      0.24963900
+O      4.51641738      0.74671026      0.08143022
+C      4.45304520     -0.62836524     -0.00354114
+N      3.24947428     -1.10508448     -0.04436511
+H      0.43759195      0.87412181     -0.13613095
+H      0.53299243     -0.58239592      0.87640605
+H      0.60346742     -0.72691152     -0.88971829
+H      3.51214721      3.08031500     -0.38254940
+H      1.97371381      2.72383354      0.16685961
+H      5.40203828     -1.15258464     -0.04078354 
+
+15
+-1514.299184323529 10.356135 11.20223 -9.1139 -7.0425 -10.487 0.7465 -0.3504 0.634 9.6534 0.06736 4.3746228352 6.4192759612 0.131680978
+C      0.90280815      0.07962339      0.19202664
+C      2.40250937     -0.03205304     -0.01870352
+N      3.23324224      0.91933701      0.74350746
+C      4.03815349     -0.02252703      1.35275990
+O      5.02251986      0.06437423      2.05844785
+C      3.18360540     -1.18043757      0.74444718
+N      3.90931486     -2.23054210      0.07981093
+H      0.38339306     -0.75059389     -0.30945535
+H      0.50366086      1.01662096     -0.22417555
+H      0.65564910      0.04929159      1.26348326
+H      2.65472419     -0.03330212     -1.09382041
+H      3.29331739      1.93633370      0.72957684
+H      2.53849476     -1.62178288      1.52135824
+H      4.52960084     -1.86723065     -0.64612570
+H      3.28348643     -2.91620160     -0.34442778 
+
+12
+-1317.6122032486326 9.245958 9.94609 -8.3654 -6.2996 -8.343 0.8061 -0.2401 0.07 7.96072 0.56218 4.0666664084 11.7364651656 0.310739285
+C      0.91781129     -0.07798836     -0.00587512
+C      2.40444242      0.02923230     -0.00312219
+C      3.19659190      1.14161443     -0.00357003
+O      2.90513533      2.46033019     -0.00644323
+O      4.51851310      0.77230825     -0.00065470
+C      4.45712180     -0.61222457      0.00152496
+N      3.25258939     -1.08590939      0.00009787
+H      0.45731179      0.91777600      0.00135891
+H      0.56172888     -0.63035503      0.87620800
+H      0.56317767     -0.61646570     -0.89718785
+H      3.73902901      2.96458570     -0.00469651
+H      5.40811740     -1.13361382      0.00427988 
+
+16
+-1555.5261334978097 10.086704 11.12287 -8.7405 -6.5873 -10.299 0.8056 -0.1807 2.935 9.94614 -2.59058 8.0663555796 12.9870251574 0.139709775
+C      0.93498807     -0.04103145     -0.00986817
+C      2.44598450     -0.05501162      0.02867749
+N      3.10701873     -0.10999918      1.32515485
+C      3.22248490     -0.74195024     -1.08266404
+O      2.46318178     -1.39225197     -2.07833537
+C      3.25191267      0.77032882     -0.97562905
+O      4.41008150      1.41396725     -0.52449016
+H      0.56535167      0.00159789     -1.04257324
+H      0.54388688      0.83234677      0.53540814
+H      0.52168183     -0.95141281      0.45268269
+H      3.09085956     -1.05943651      1.70594133
+H      2.61834174      0.49265335      1.99285608
+H      4.14371756     -1.25369694     -0.77357696
+H      2.92588203     -1.26461897     -2.92534410
+H      2.69746362      1.34321308     -1.72409820
+H      4.51433294      1.07748252      0.39780871 
+
+14
+-1445.2446684737629 9.408885 10.27667 -9.8004 -7.6142 -10.87 0.7787 -0.4318 0.169 10.31508 0.49515 4.322461925 12.1574844258 0.105598284
+C      0.92274360     -0.01999734      0.08254104
+C      2.44143004      0.06306661     -0.06622038
+N      2.80350702      0.02438449     -1.46706750
+C      3.12579218      1.06300544      0.91822704
+O      3.67536575     -0.06250956      1.70198857
+C      3.16897909     -0.99594505      0.80682290
+O      3.31783873     -2.18512027      0.82898586
+H      0.62213589     -0.02501810      1.13817944
+H      0.55627156     -0.93690864     -0.39577247
+H      0.44768012      0.84499479     -0.40537811
+H      3.80966366      0.13032529     -1.60849377
+H      2.32887901      0.76481358     -1.98767988
+H      2.47152276      1.68275320      1.54566521
+H      3.94187058      1.65652556      0.48447206 
+
+14
+-1447.0630964891345 9.600708 10.55821 -9.4536 -7.3859 -10.763 0.9806 -0.1862 0.397 9.87275 0.28772 4.3472219292 13.0735549868 0.163511363
+C      0.88873192      0.03266487      0.22611810
+C      2.38322323      0.02142862     -0.03543773
+N      3.18904031      0.96256325      0.78529471
+C      4.06905154      0.01585883      1.25610532
+O      5.10600806      0.06541396      1.89086586
+C      3.24026912     -1.12009699      0.59193017
+O      3.92905113     -1.91982376     -0.34961764
+H      0.40158637     -0.77987468     -0.33164304
+H      0.43512375      0.97954056     -0.10076854
+H      0.67472520     -0.09838818      1.29647564
+H      2.61261895      0.11137692     -1.10916067
+H      3.24893566      1.98096269      0.77945794
+H      2.67325023     -1.72548507      1.32288353
+H      4.75502454     -2.21750103      0.07456637 
+
+12
+-1383.7186675665962 11.458287 10.68955 -8.757 -6.9585 -9.142 -0.5079 -2.1502 -1.146 8.5542 1.60848 3.9711227968 4.4428771282 0.614203255
+C      1.03317547     -0.03985999     -0.16114208
+C      2.36464199      0.00527552      0.06099909
+N      3.22919092     -1.07297454      0.23795118
+C      4.55206511     -0.65229706      0.44740863
+O      5.51507922     -1.38642205      0.63064280
+C      4.48292986      0.83475900      0.39182946
+C      3.20364498      1.20450284      0.16631160
+H      0.48569553     -0.97939785     -0.22525217
+H      0.47576005      0.88670661     -0.28210629
+H      2.96279735     -2.05184662      0.22217718
+H      5.36017299      1.46238039      0.52028882
+H      2.80194654      2.21081375      0.06908178 
+
+12
+-1367.5399319346961 10.159485 10.53809 -9.7306 -7.7728 -10.279 -1.2909 -3.0997 -1.675 9.6911 1.97696 3.038214937 6.8120140148 0.315560293
+C      1.02791847     -0.00676581      0.00408379
+C      2.51255723     -0.04529807      0.00215568
+N      3.20384717     -1.14287071      0.00127970
+C      4.59015365     -0.71554377      0.00083699
+O      5.53888547     -1.47083996      0.00066145
+C      4.63657554      0.80060499      0.00084327
+C      3.36081887      1.20679915      0.00187940
+H      0.61169288     -1.01935702     -0.00447601
+H      0.66171224      0.55307511     -0.87128936
+H      0.66473378      0.53564423      0.89178492
+H      5.55798820      1.37626014      0.00019410
+H      2.96722650      2.22260172      0.00219606 
+
+16
+-1622.6404646808742 10.903085 11.42964 -8.396 -6.3262 -8.983 0.8809 -0.0717 1.18 8.56914 -0.61045 5.8499942422 5.8499942422 0.238356202
+C      0.93423218     -0.04567896     -0.18724194
+C      2.45101725      0.03451392      0.01186476
+N      3.07597393      0.17916429     -1.32870342
+C      3.01543546     -1.23407712      0.71125185
+O      3.96188605     -0.79719479      1.73312438
+C      3.75525037      0.55224022      1.87752498
+C      2.89344841      1.09725835      1.00625085
+H      0.42137445     -0.17273718      0.77482885
+H      0.67701331     -0.88627026     -0.84829539
+H      0.55542318      0.87746563     -0.65223933
+H      4.07114054      0.39107222     -1.20609405
+H      2.67683866      0.99862661     -1.79738510
+H      3.54486417     -1.88976135      0.00798113
+H      2.22131950     -1.79897844      1.22326974
+H      4.34015914      1.01111250      2.67356171
+H      2.61837338      2.14783437      0.95078099 
+
+14
+-1519.5868799296156 10.554948 10.99436 -9.2263 -7.3098 -10.131 0.5086 -1.1085 -0.282 9.6368 0.77182 4.1936528696 5.6951853226 0.348334634
+C      0.95168160      0.03098120     -0.16722859
+C      2.46103401     -0.02486886      0.10249657
+N      2.87404974     -1.19736865      0.85444705
+C      3.57574387     -0.89519669      2.01199394
+O      4.06614664     -1.69740320      2.80075775
+C      3.58738068      0.59922849      2.06595357
+C      2.96154567      1.09161507      0.98663415
+H      0.63547028     -0.82150601     -0.78449303
+H      0.69372701      0.95246941     -0.70829793
+H      0.39321933      0.00638777      0.77826591
+H      2.99714482      0.01966429     -0.86707174
+H      2.76824972     -2.15246068      0.52941366
+H      4.05208605      1.14321406      2.88468462
+H      2.79843057      2.13858382      0.73305405 
+
+11
+-1243.2813692076063 9.402977 9.81882 -10.2048 -8.1664 -10.934 -1.7072 -3.5773 -2.002 9.9715 2.30712 2.9878022294 7.132108671 0.345239668
+C      1.06108290      0.00288843      0.00491187
+C      2.53244446     -0.10126930      0.00293183
+N      3.22191758     -1.19496209     -0.00176393
+C      4.58332977     -0.74981815     -0.00136271
+O      5.57586962     -1.44288475     -0.00441418
+C      4.51331312      0.78649468      0.00462056
+N      3.29404753      1.17875653      0.00719057
+H      0.59160946     -0.98479272     -0.00231623
+H      0.73704249      0.59116602     -0.86775457
+H      0.73870740      0.57677194      0.88783115
+H      5.37618567      1.45460941      0.00631564 
+
+13
+-1395.5558718085615 10.09504 10.7182 -7.92 -5.9032 -8.086 0.6599 -0.2442 0.707 7.61644 -0.04176 4.5126068546 6.588182089 0.274924736
+C      0.98624696     -0.00109571     -0.00581945
+C      2.47695735      0.03350746     -0.00008344
+N      3.22498566      1.13351048      0.00524876
+C      4.51972360      0.69998387      0.00832357
+O      5.51536563      1.63771283      0.01415318
+C      4.59543731     -0.68007491      0.00496217
+N      3.26227262     -1.08772987     -0.00040766
+H      0.61738621      1.03025168      0.00252328
+H      0.58296631     -0.51889738      0.87782584
+H      0.58947735     -0.50188388     -0.90218665
+H      6.37052260      1.17458394      0.01589310
+H      5.42041712     -1.38274209      0.00612089
+H      2.93771127     -2.04929642     -0.00399359 
+
+12
+-1319.8717920373122 9.299433 10.09958 -8.5362 -6.4582 -8.539 0.8445 -0.1849 0.148 8.03574 0.46501 4.3171057298 7.0886763752 0.270988901
+C      1.01685626     -0.01513377     -0.00629735
+C      2.49691699      0.09269255     -0.00056369
+N      3.22982670      1.17547120      0.00662104
+C      4.52979860      0.71594971      0.00873119
+O      5.53515707      1.63282418      0.01604455
+C      4.54609590     -0.65078396      0.00275415
+O      3.22149471     -1.06788301     -0.00330211
+H      0.58945037      0.99241011      0.00143903
+H      0.65737378     -0.56493483      0.87527132
+H      0.66302206     -0.54859000     -0.90016629
+H      6.38614288      1.16071472      0.01673318
+H      5.30572467     -1.42177690      0.00199498 
+
+12
+-1323.4021792821497 9.934327 10.05774 -8.5688 -6.6147 -9.268 1.3267 -0.4502 0.059 8.71318 0.59979 4.3511274882 5.3236116792 0.303791339
+C      1.09630611     -0.03644891      0.20051669
+C      2.39295763      0.01556841     -0.13368908
+N      3.19155893      1.14974467     -0.31817775
+C      4.49319343      0.84589636     -0.66104839
+O      5.40882016      1.61952471     -0.88312562
+C      4.51118933     -0.67967111     -0.69537575
+O      3.17507009     -1.09455961     -0.35747360
+H      0.60417825     -0.99822515      0.30924770
+H      0.53151492      0.87659645      0.36454452
+H      2.85318602      2.10152398     -0.21212472
+H      4.77625900     -1.04629546     -1.69866020
+H      5.22635612     -1.08028435      0.03895621 
+
+11
+-1259.5074788350853 10.59386 9.8833 -9.2453 -7.4125 -9.634 -0.9163 -2.641 -1.495 9.09115 2.03618 3.899111728 4.3776604922 0.43098835
+C      1.02408726     -0.02694702     -0.15960924
+C      2.35528757     -0.03673926      0.06295441
+N      3.22852891     -1.09752852      0.22980550
+C      4.53639155     -0.62350216      0.43873680
+O      5.52496268     -1.30429277      0.61716022
+N      4.48246247      0.82325120      0.40109987
+C      3.24357923      1.13045888      0.18819264
+H      0.43224234     -0.93758962     -0.24038878
+H      0.51038061      0.92692939     -0.26424567
+H      2.99780064     -2.08499955      0.21068512
+H      2.89541674      2.16297943      0.10966912 
+
+11
+-1244.2780005185416 9.346357 9.74484 -10.3086 -8.2961 -10.893 -1.6679 -3.5393 -2.033 9.87628 2.25457 3.1211243752 6.2727989008 0.392169169
+C      1.01353544     -0.01039271      0.00525587
+C      2.49463283     -0.06357713      0.00183129
+N      3.20866658     -1.13878328      0.00061437
+C      4.58426085     -0.65739493     -0.00198431
+O      5.55961960     -1.35938361     -0.00331939
+N      4.63839457      0.82543152     -0.00257491
+C      3.40008531      1.15827117     -0.00023637
+H      0.58413640     -1.01738814      0.00071873
+H      0.65190314      0.54895541     -0.87204406
+H      0.65628245      0.53837912      0.89108906
+H      3.06280283      2.19915259      0.00003972 
+
+15
+-1476.4899954595694 10.172046 10.6094 -9.2115 -7.2134 -10.359 1.1948 -0.4683 0.359 9.95918 0.25122 5.338651181 6.203515524 0.155259402
+C      0.93455502     -0.04093646     -0.15701069
+C      2.45423797     -0.00632082     -0.00218373
+N      3.06216618      0.19726031     -1.33609377
+C      3.03584148     -1.26158548      0.66891886
+O      4.08996135     -0.79166227      1.55969632
+N      3.88931464      0.58623566      1.79134251
+C      2.96321661      1.01149043      1.00518285
+H      0.44307414     -0.19176965      0.81277293
+H      0.64271946     -0.85174851     -0.83884466
+H      0.56498247      0.90469624     -0.58146127
+H      4.07382537      0.32472743     -1.23931676
+H      2.70113534      1.05848861     -1.75662072
+H      3.48100401     -1.95941047     -0.05186948
+H      2.27814429     -1.77559988      1.28190002
+H      2.69278167      2.06819489      1.03050758 
+
+14
+-1511.2700395951135 10.908343 11.33643 -7.4262 -5.4669 -7.735 0.8499 -0.0388 0.971 7.21897 -0.36198 4.5397101942 6.0775705452 0.383107839
+C      0.92045750     -0.03934868     -0.00246836
+C      2.40785694      0.04250035     -0.00305413
+C      3.25206285      1.14390208     -0.00140300
+O      2.78448536      2.44321800      0.00188499
+C      4.60299661      0.69288539     -0.00381323
+C      4.56021059     -0.69278182     -0.00700092
+N      3.23876785     -1.07027391     -0.00659651
+H      0.50585860      0.97639398      0.00945340
+H      0.52870338     -0.56732492      0.88267465
+H      0.52643457     -0.54727873     -0.89833689
+H      3.55296442      3.03705085      0.00348719
+H      5.50120386      1.30456132     -0.00323478
+H      5.35901791     -1.42589409     -0.00924820
+H      2.90791957     -2.02765981     -0.00825419 
+
+13
+-1397.668125728021 10.100002 10.55463 -7.7805 -5.8106 -7.944 0.7064 -0.1955 0.618 7.50275 0.06762 4.3154071216 6.6290106788 0.257352289
+C      0.89806918     -0.07229132     -0.00591118
+C      2.38199228      0.04011259     -0.00275381
+C      3.23609654      1.12792079     -0.00341492
+O      2.85937832      2.44013494     -0.00678022
+N      4.55292625      0.75852354     -0.00031949
+C      4.53578932     -0.56934398      0.00220781
+N      3.25665285     -1.04709120      0.00075627
+H      0.46410830      0.93515928      0.00235313
+H      0.51469284     -0.60505187      0.87944545
+H      0.51682887     -0.58951907     -0.90141629
+H      3.68970712      2.95240108     -0.00571115
+H      5.40628921     -1.21795745      0.00526978
+H      2.98099892     -2.02403734      0.00240460 
+
+13
+-1380.0055951492125 9.9851 10.484 -8.1568 -6.212 -8.639 0.8191 -0.1562 0.348 8.03679 0.22909 4.674520172 6.1604799834 0.275517655
+C      0.91348375     -0.04373964     -0.00283763
+C      2.40017706      0.05308333     -0.00329316
+C      3.24525009      1.15854917     -0.00135285
+O      2.79710086      2.45953554      0.00205492
+C      4.56274896      0.64622472     -0.00358273
+N      4.56111659     -0.69754374     -0.00691563
+N      3.25096876     -1.02268301     -0.00659569
+H      0.48633052      0.96647646      0.00949455
+H      0.53392162     -0.57815077      0.88180261
+H      0.53175477     -0.55718886     -0.89894923
+H      3.57011076      3.04821079      0.00394899
+H      5.50626860      1.18708813     -0.00296430
+H      2.99058766     -2.00315211     -0.00855985 
+
+15
+-1493.7100947479003 10.455369 10.93485 -8.3751 -6.3637 -9.085 1.0671 -0.2977 0.683 8.60878 -0.02063 5.0838227552 5.3513473474 0.123089217
+C      1.04189808     -0.04328362      0.05023827
+C      2.53057316      0.01682727     -0.00372231
+N      3.27883297     -1.04023308     -0.00613448
+N      4.61799356     -0.66263057      0.11245164
+C      4.75338077      0.77032632     -0.22476130
+C      3.32881191      1.31175267      0.02194616
+O      2.89639754      2.30977815     -0.90879485
+H      0.69962041     -1.07766134     -0.07156044
+H      0.58651654      0.58561872     -0.72849717
+H      0.67161986      0.33665474      1.01728501
+H      5.20288613     -1.30327490     -0.42433558
+H      5.01008066      0.92366823     -1.29088160
+H      5.52097931      1.25292573      0.39305523
+H      3.24044391      1.80612169      1.00475074
+H      2.88902520      1.89540997     -1.79211932 
+
+13
+-1350.0392753629094 9.686948 10.1862 -9.8068 -7.7303 -9.935 -0.1676 -1.9147 -0.04 9.55689 0.58753 4.8769521142 9.8960417788 0.270609684
+C      0.96834448      0.10480560     -0.00709382
+C      2.45394571      0.03896266      0.02202987
+N      3.21378003      1.07372835      0.16959819
+N      4.61875812      0.63239732      0.14165918
+C      4.63759120     -0.64385765     -0.02281338
+C      3.25800825     -1.24856434     -0.08420210
+O      2.95705564     -2.12700375     -1.16439845
+H      0.63374526      1.14805019     -0.01779071
+H      0.53879388     -0.39996328      0.87225400
+H      0.57799766     -0.42087035     -0.89185701
+H      5.57503871     -1.20157602     -0.06938013
+H      3.09146318     -1.83898410      0.83741361
+H      3.17315790     -1.65830464     -1.99152926 
+
+11
+-1215.1246702761566 9.253579 9.56144 -10.0274 -7.9751 -10.799 -1.8376 -3.8056 -2.312 10.53012 2.54467 2.7204512176 7.1440485228 0.488538903
+C      0.95507728      0.06687240     -0.00653220
+C      2.43835193      0.01971786     -0.00086955
+N      3.20972931      1.04463006      0.00557706
+N      4.66296749      0.55722377      0.00920120
+C      4.65980204     -0.72162746      0.00518171
+C      3.25445962     -1.27107887     -0.00168440
+O      2.86458859     -2.41977713     -0.00608109
+H      0.60355509      1.10408538      0.00091172
+H      0.55424760     -0.46593825      0.86853894
+H      0.56169288     -0.45014240     -0.89443644
+H      5.57555816     -1.31295536      0.00670306 
+
+15
+-1491.2426793619202 10.210053 10.6353 -8.5999 -6.6135 -9.241 1.1306 -0.5306 0.445 8.73558 0.13806 5.0269627756 5.1861236038 0.136968935
+C      1.02248970     -0.06514901     -0.00000416
+C      2.55090878     -0.00612992      0.01021446
+N      3.16106510     -1.11817084     -0.75732131
+N      3.41850090     -0.70692458     -2.05392312
+C      3.38894256      0.58942409     -2.09488932
+C      3.11053071      1.22181086     -0.75193319
+O      4.29579920      1.79278564     -0.16498863
+H      0.59925029      0.79023688      0.54706703
+H      0.66093262     -0.98294651      0.48589490
+H      0.63589389     -0.04330416     -1.02954733
+H      2.93502192     -0.00097135      1.04152763
+H      2.67319064     -2.01336970     -0.74600312
+H      3.65191434      1.12006427     -3.00853531
+H      2.38699648      2.04902948     -0.77991179
+H      5.02239287      1.15714485     -0.30443675 
+
+13
+-1381.3417738686637 9.692607 10.76085 -9.641 -7.532 -9.355 1.5124 -0.1987 0.243 9.03343 0.38431 4.9924326746 9.5826547652 0.361990825
+C      1.15046392      0.04875826      0.00583885
+C      2.63675023      0.04197743     -0.00071649
+N      3.46058852      1.04853013      0.00255262
+N      4.75464489      0.50725333     -0.00474494
+C      4.61642477     -0.78607302     -0.01260145
+C      5.66489817     -1.83946100     -0.02431994
+O      3.29302204     -1.16947684     -0.01052150
+H      0.76316938     -0.97553550     -0.00506013
+H      0.76734970      0.58405330     -0.87280900
+H      0.77488670      0.56197732      0.90084157
+H      5.20783786     -2.83447587     -0.00553086
+H      6.32248394     -1.73238787      0.84821366
+H      6.28644989     -1.75051967     -0.92511238 
+
+15
+-1494.7574606803714 10.347498 11.01174 -8.0508 -6.0449 -9.07 0.8982 -0.0482 0.838 8.5853 -0.22493 5.1952737706 9.5496992864 0.122152605
+C      1.09071117      0.00603529      0.13019568
+C      2.57112858      0.03460054     -0.06855213
+N      3.16883966      1.10146453     -0.46954082
+N      4.55597529      1.02345930     -0.67897568
+C      5.23253656      0.06518735      0.19066778
+C      4.56719189     -1.28019554     -0.04645926
+O      3.14845154     -1.18966039      0.20771147
+H      0.62520291     -0.72961252     -0.54267674
+H      0.67758175      0.99847153     -0.07532014
+H      0.84379841     -0.28749486      1.16095018
+H      4.92459323      1.96928240     -0.58512790
+H      6.29757391      0.01399847     -0.07890737
+H      5.14915999      0.32790043      1.26429113
+H      4.94813543     -2.05262548      0.63590979
+H      4.72128968     -1.60461106     -1.08745598 
+
+13
+-1352.466962230376 9.92872 10.24756 -9.1733 -7.1503 -9.365 0.4449 -1.2794 0.159 8.96004 0.46269 4.3980685878 9.0818877098 0.25813515
+C      1.06235521     -0.01305893     -0.00262684
+C      2.55111985      0.03738819     -0.05491991
+N      3.19814562      1.16227830     -0.00207049
+N      4.54478001      1.12509582     -0.41160208
+C      5.18634386      0.02111166     -0.25451170
+C      4.49172664     -1.18853656      0.28945910
+O      3.13654009     -1.18666604     -0.23336802
+H      0.67336466     -0.41748799     -0.94923000
+H      0.67200659      0.99887098      0.14150086
+H      0.71780382     -0.67466041      0.80375983
+H      6.22361655     -0.01988076     -0.60020356
+H      4.94741278     -2.12757866     -0.04481117
+H      4.44668432     -1.17669561      1.39515398 
+
+13
+-1351.523397253042 9.891509 10.16184 -9.2582 -7.2422 -9.403 0.5168 -1.2224 0.131 9.07293 0.48095 4.4572843014 9.2702224438 0.174468402
+C      0.99875606      0.06052977      0.18433985
+C      2.47771759      0.05962623     -0.02897247
+N      3.14675229      1.15747201      0.08069015
+N      4.54633054      1.10919316     -0.11825443
+C      5.11145240     -0.02248603      0.13067102
+O      4.48256181     -1.21188074      0.34112903
+C      3.19849401     -1.22853783     -0.33441960
+H      0.72695661     -0.58944624      1.03074400
+H      0.47447203     -0.33158448     -0.70240287
+H      0.65104722      1.08054313      0.38457981
+H      6.19724141     -0.08994421      0.23134855
+H      2.66655571     -2.10858430      0.04613078
+H      3.36781232     -1.34842047     -1.42158382 
+
+13
+-1386.8067360210177 9.888048 10.42853 -8.9035 -6.9606 -9.641 0.7802 -0.9284 -0.003 9.13717 0.61365 4.399767196 5.089935265 0.170027239
+C      1.02666756     -0.04630083      0.09080292
+C      2.50951585      0.02979643     -0.01750874
+N      3.24386889     -1.03802760     -0.11165150
+N      4.56875768     -0.62287680     -0.19327027
+C      4.76023946      0.74770240     -0.15718349
+O      5.82572328      1.34337186     -0.21448151
+C      3.32928118      1.28979038     -0.03124059
+H      0.70117051     -1.09304467      0.06000273
+H      0.54089791      0.50228263     -0.73118183
+H      0.67510053      0.40748085      1.03072722
+H      5.30037560     -1.32220318     -0.27481781
+H      3.09355540      1.95327418     -0.87682316
+H      3.22393614      1.88844433      0.88594603 
+
+13
+-1356.550286654633 9.855417 10.42141 -9.3257 -7.2823 -9.039 0.7303 -1.0695 -0.912 8.47522 1.59842 3.8301011204 7.4169913032 0.230350284
+C      1.13466172      0.10411114      0.00581062
+C      2.62513505      0.13628830      0.00041512
+C      3.52091477      1.18334428     -0.00038734
+C      3.29917349      2.65765346      0.00409577
+N      4.77972784      0.61564855     -0.00560980
+N      4.75098076     -0.63638507     -0.00814813
+O      3.28726521     -1.02356988     -0.00402929
+H      0.77549314     -0.93073157     -0.00908483
+H      0.72904513      0.62609503     -0.87223403
+H      0.73599330      0.59762013      0.90338438
+H      2.22667314      2.88861996     -0.00233966
+H      3.75503247      3.13011805     -0.87767503
+H      3.74250397      3.12336762      0.89592222 
+
+14
+-1460.0495519827466 9.961767 10.80318 -8.851 -6.831 -9.899 1.1441 -0.2179 0.612 9.36111 0.04587 5.5138929934 11.6290684924 0.216347098
+C      1.08734425     -0.03795516     -0.13097667
+C      2.57056601      0.12186316     -0.10050891
+N      3.14200962      1.13790666     -0.66837444
+O      4.54024107      1.08176295     -0.42775010
+C      4.83729051     -0.12311813      0.27459447
+C      4.54202400     -1.41753859     -0.41775719
+C      3.51763773     -0.81775059      0.54685252
+H      0.80281385     -0.96760652     -0.64736585
+H      0.62238312      0.81295791     -0.64189640
+H      0.68648616     -0.10041570      0.89251464
+H      5.65640555     -0.00861915      0.98465400
+H      5.08793189     -2.29091984     -0.06225032
+H      4.31384826     -1.39848668     -1.48412415
+H      3.25448799     -1.33331031      1.47150839 
+
+14
+-1466.8517139901987 11.080351 11.14924 -8.5404 -6.5986 -9.206 0.1659 -1.4549 -0.414 8.68063 0.88441 4.9818566688 4.9818566688 0.43086002
+C      1.04304870     -0.02924414      0.13580559
+C      2.51934245      0.04844163     -0.06219980
+N      3.21424415     -1.01565236     -0.34109656
+O      4.56588724     -0.68395673     -0.47910196
+C      4.72998325      0.75137942     -0.26129109
+C      3.34145941      1.25426878      0.02360266
+C      2.93186051      2.50726047      0.29533962
+H      0.70198396     -1.06425329      0.02009061
+H      0.51738108      0.60230187     -0.59640768
+H      0.76438409      0.32724096      1.13897664
+H      5.17270273      1.18313203     -1.17198896
+H      5.42557706      0.88826418      0.58084899
+H      3.62882034      3.34444553      0.33748950
+H      1.88061504      2.72554165      0.48363244 
+
+13
+-1360.9296917197876 9.948584 10.42907 -8.4033 -6.4058 -8.888 0.8188 -0.3952 -0.095 8.4221 0.6448 4.5525427452 6.2580197696 0.287155612
+C      0.95038891      0.06783149     -0.03094899
+C      2.44107672     -0.00656151     -0.00302436
+N      3.17425677      1.09234441      0.07363493
+O      4.50875782      0.66874347      0.06596233
+C      4.53464391     -0.69221205     -0.00330966
+C      3.25808645     -1.18454993     -0.05192841
+N      2.79146655     -2.49744848     -0.22478617
+H      0.62935016      1.11603587     -0.02547763
+H      0.50688476     -0.43169628      0.84439494
+H      0.55133571     -0.42003980     -0.93251198
+H      5.51832358     -1.15055076     -0.01800864
+H      3.48996149     -3.20522287     -0.00575181
+H      1.94047716     -2.68724356      0.30346545 
+
+15
+-1479.9204223377349 10.258729 10.88082 -8.9257 -6.9445 -10.172 0.9069 -0.4426 0.599 9.6414 0.06669 5.4240403392 6.2435506034 0.165543345
+C      1.05879266     -0.03776831      0.24433081
+C      2.51050321      0.06535808     -0.07697169
+N      3.18814188     -0.94365004     -0.50773280
+O      4.52565117     -0.55773349     -0.75470770
+C      4.71598633      0.77047135     -0.18833831
+C      3.30572649      1.36529253     -0.06187182
+N      2.80172130      2.24602013     -1.12381159
+H      0.68420066     -1.04052492      0.00854589
+H      0.49385437      0.71112476     -0.32958260
+H      0.87932512      0.16568883      1.31185570
+H      5.38083310      1.33288972     -0.85757838
+H      5.19077522      0.65192072      0.80093338
+H      3.18470494      1.89851361      0.89365221
+H      2.98766705      1.83166400     -2.04114646
+H      3.27991651      3.14876303     -1.09569663 
+
+12
+-1290.4224743099817 9.20131 9.81522 -8.9699 -6.9513 -9.421 1.1951 -0.5085 -0.292 8.9008 0.79573 4.7927036272 11.0724953384 0.432017917
+C      0.95517528      0.04320204     -0.00523079
+C      2.44563146     -0.01442001     -0.00163821
+N      3.17806468      1.08680478     -0.00012406
+O      4.52020762      0.66658184      0.00279019
+C      4.55384636     -0.69361887      0.00307653
+C      3.27580102     -1.17850268      0.00038438
+O      2.77353132     -2.45090861     -0.00034073
+H      0.62279398      1.08758695      0.00166711
+H      0.54332379     -0.46983958      0.87542723
+H      0.54804865     -0.45617822     -0.89596334
+H      5.53733593     -1.15289535      0.00541461
+H      3.50891993     -3.08752229      0.00252710 
+
+14
+-1412.817610953349 9.576381 10.24997 -9.3184 -7.2775 -10.379 1.0768 -0.5656 0.347 9.86065 0.30078 5.3652089822 6.213930348 0.17473062
+C      1.05305390     -0.03328503      0.23527881
+C      2.50746425      0.06874005     -0.07703167
+N      3.19572376     -0.94960166     -0.47658684
+O      4.53094405     -0.56782684     -0.71560216
+C      4.70534144      0.78832781     -0.21111890
+C      3.29783087      1.36649272     -0.11414932
+O      2.88440673      2.19435574     -1.21332715
+H      0.68545162     -1.04411572      0.02393433
+H      0.48120013      0.69300640     -0.36064362
+H      0.86423065      0.19694469      1.29537458
+H      5.35761514      1.33769172     -0.90170852
+H      5.17500141      0.72216136      0.78426801
+H      3.16115121      1.99197859      0.77825088
+H      2.91997483      1.64854017     -2.02121845 
+
+16
+-1604.0083459078064 10.812663 11.5145 -8.8333 -6.8555 -10.082 0.9169 -0.2115 0.659 9.51051 0.02829 5.1535152858 6.3057171838 0.20895205
+C      1.03426710      0.06685239     -0.02658899
+C      2.53229956     -0.01299800     -0.11385761
+N      3.12429598      1.06902193     -0.50172202
+O      4.53284477      1.08018353     -0.59078881
+C      5.22922060      0.03350101      0.11723093
+C      4.66201518     -1.33559466     -0.21325999
+C      3.19087024     -1.33466131      0.20182818
+H      0.56448886     -0.65502623     -0.71342573
+H      0.69252256      1.07711611     -0.27916967
+H      0.68990297     -0.18216279      0.98986550
+H      6.27555837      0.14964751     -0.19595102
+H      5.15719656      0.23274863      1.20325738
+H      5.22562621     -2.12468653      0.30585595
+H      4.75855930     -1.51331893     -1.29533883
+H      3.08391139     -1.53869092      1.28175878
+H      2.62848036     -2.13267174     -0.31015404 
+
+14
+-1461.1662310107733 10.684121 11.05657 -8.7252 -6.7483 -9.254 0.1692 -1.4836 -0.227 8.72893 0.76242 4.5868372728 6.7690032714 0.319602471
+C      1.03548304      0.04631262     -0.13913048
+C      2.51034464     -0.04309396      0.12390130
+N      3.08262841      1.03901968      0.57487490
+O      4.46720266      0.95486890      0.81922230
+C      5.18450806      0.06675330     -0.07262438
+C      4.56350405     -1.29491215     -0.03605007
+C      3.21985738     -1.31479018      0.01266863
+H      0.48946254     -0.69571263      0.46329288
+H      0.81399404     -0.16261880     -1.19670902
+H      0.66836788      1.04871702      0.11046202
+H      6.21728575      0.08187787      0.29819804
+H      5.16545115      0.49840627     -1.09507599
+H      5.17525731     -2.19832683     -0.03924886
+H      2.64380308     -2.24141114      0.04668875 
+
+13
+-1376.8200751288236 9.675532 10.82948 -9.9318 -8.0009 -10.008 1.151 -0.6035 -0.15 9.27852 0.71683 5.0117744906 7.0961279338 0.331099791
+C      1.29199511      0.12549205      0.00486642
+C      2.77624309      0.05164906     -0.00107917
+N      3.64548830      1.02833780     -0.00773175
+C      4.85400624      0.35457546     -0.00888047
+C      6.17411721      1.04301416     -0.01599128
+N      4.75229580     -0.95955460     -0.00355444
+O      3.34978810     -1.17560774      0.00174865
+H      0.85623805     -0.87899130     -0.00470267
+H      0.94058727      0.68186020     -0.87391086
+H      0.94638588      0.66130912      0.89878359
+H      6.98635638      0.30823905     -0.01010234
+H      6.26576441      1.69361815      0.86431245
+H      6.26471413      1.67767860     -0.90802812 
+
+14
+-1409.5679698587005 9.598804 10.30264 -8.8639 -6.8459 -10.259 0.9038 -0.0737 0.478 9.71462 0.13317 5.6054318572 13.1788562966 0.281492767
+C      1.09767456      0.00873319      0.11467584
+C      2.57589506     -0.00640825     -0.10264973
+N      3.13915106      1.03493018     -0.62163743
+O      4.55577900      0.99380980     -0.78451831
+C      5.19994584      0.06713148      0.09550635
+C      4.55818638     -1.29541599     -0.04145463
+O      3.15596564     -1.18346800      0.28838149
+H      0.62206114     -0.80587989     -0.45013182
+H      0.69145142      0.97053283     -0.21380197
+H      0.86683821     -0.14198579      1.17895608
+H      6.25548121      0.05089870     -0.20815341
+H      5.12292662      0.42276942      1.13912347
+H      4.97946132     -2.03100939      0.65730139
+H      4.65484256     -1.66873829     -1.07295732 
+
+14
+-1404.7810023651182 9.638706 10.23898 -9.2893 -7.2582 -10.389 1.2168 -0.3894 0.426 9.8228 0.23138 5.2221787326 6.4088487386 0.21843068
+C      1.08137619      0.03365602      0.07408493
+C      2.56449996      0.00537684     -0.14661146
+N      3.12064022      1.11663220     -0.50089761
+O      4.53101092      1.08202182     -0.67909092
+C      5.15077103      0.01202358      0.02094701
+O      4.64843768     -1.24863558     -0.36685628
+C      3.27067338     -1.31777150     -0.00220967
+H      0.56884092     -0.65425111     -0.61614644
+H      0.70105752      1.04922316     -0.08517764
+H      0.83097309     -0.28307991      1.09846589
+H      6.21219915      0.04980427     -0.25016381
+H      5.00003608      0.16761694      1.10887341
+H      3.15061721     -1.70476643      1.03086051
+H      2.80265667     -2.04781030     -0.68198792 
+
+12
+-1303.0439651416793 9.049547 9.73016 -10.1168 -8.1491 -11.073 0.604 -1.217 -0.205 10.44919 0.61637 4.3501356002 6.28733006 0.193396285
+C      1.01753518     -0.03815970      0.09107780
+C      2.49668689      0.04983087     -0.06304042
+N      3.20022125     -1.01739341     -0.24938714
+O      4.58806793     -0.63839595     -0.36623555
+C      4.71735097      0.74051045     -0.24169546
+O      5.78402495      1.29713822     -0.30622161
+C      3.31818660      1.29463249     -0.02765180
+H      0.69394019     -1.08382384      0.03300579
+H      0.51079820      0.53831776     -0.69731837
+H      0.70219101      0.38251105      1.05751849
+H      3.06121691      2.01391963     -0.81922724
+H      3.25824990      1.83210242      0.93038551 
+
+13
+-1345.5923946646583 9.595709 10.33258 -10.3837 -8.4089 -10.717 0.4167 -1.3759 -0.897 9.8995 1.22857 4.796336417 11.860810725 0.242818087
+C      1.07726011      0.17100793      0.00250722
+C      2.56660989      0.03745550     -0.00124672
+N      3.35776939      1.09143558     -0.00888676
+O      4.64616909      0.59260271     -0.00760760
+N      4.64631844     -0.78895566      0.00032823
+C      3.37779694     -1.14634365      0.00422664
+C      2.96472398     -2.58350553      0.01093833
+H      0.59294813     -0.81217108     -0.01978978
+H      0.73582088      0.74217339     -0.87086253
+H      0.73618614      0.70104847      0.90189807
+H      1.87319118     -2.68010514      0.04140695
+H      3.38026912     -3.10355850      0.88411675
+H      3.32955673     -3.09759404     -0.88838880 
+
+16
+-1594.2284090452893 10.719922 12.34587 -9.6191 -7.4383 -11.049 0.9327 -0.0255 2.661 10.51493 -2.34929 8.6735150216 10.5564036134 0.195282713
+C      0.94726518      0.16482832     -0.17456088
+C      2.42075039      0.22155945      0.12426732
+O      3.23956421     -0.84695620     -0.41166085
+C      3.43368997      0.49743029     -0.91114144
+C      4.74721209      1.13562146     -0.59828782
+C      5.82297391      1.22091336     -1.62511955
+N      5.00892202      2.41185326     -1.30436367
+H      0.47467460      1.13365265      0.04612609
+H      0.45576338     -0.60029655      0.44404878
+H      0.77128750     -0.07946367     -1.23061666
+H      2.68486846      0.48945661      1.15710802
+H      3.08389401      0.66146250     -1.93925447
+H      5.06876816      1.03786963      0.44381835
+H      5.64730402      0.80672053     -2.62107759
+H      6.85828872      1.17308943     -1.27913648
+H      5.53589338      3.04012894     -0.69046916 
+
+18
+-1744.2235032477702 11.320542 12.97453 -9.4741 -7.1264 -10.824 0.8645 -0.1005 2.761 10.16984 -2.49804 8.6902655302 10.873262235 0.336120836
+C      0.86818884     -0.24996579     -0.09867962
+C      2.36815346     -0.21890565     -0.22187759
+O      2.91261370     -0.25357482     -1.56219201
+C      3.10735856      0.93754325     -0.76427057
+C      4.52420677      1.27083179     -0.36564899
+C      4.58892797      2.28113623      0.78328981
+N      5.98225150      2.67531670      1.03961716
+H      0.55915987      0.03802274      0.91755648
+H      0.48449146     -1.26207500     -0.29377832
+H      0.40297108      0.43828218     -0.81723735
+H      2.91420158     -0.86418733      0.48107041
+H      2.50307014      1.79068345     -1.10640220
+H      5.06422008      1.68653810     -1.23171110
+H      5.04104196      0.33844690     -0.08287046
+H      4.06716811      1.85752656      1.66655322
+H      4.03510308      3.19134329      0.49756548
+H      6.51329612      1.86839931      1.37923190
+H      6.01579571      3.37163809      1.78743372 
+
+18
+-1747.540505107126 11.186619 12.60876 -9.2942 -7.0326 -10.651 0.9 -0.0344 2.646 9.9776 -2.33592 8.431977895 10.7369520266 0.216200716
+C      1.11588805     -0.09314464     -0.12542223
+C      2.59093922      0.21080725     -0.13014234
+O      3.38228448     -0.30697927     -1.22629400
+C      3.26386924      1.14192074     -1.06450884
+C      2.52061169      1.87011815     -2.16051277
+C      4.56373617      1.78951507     -0.61064446
+N      5.51479777      1.85816951     -1.72914004
+H      0.59760487      0.55396533      0.59897660
+H      0.94641441     -1.13653134      0.17835065
+H      0.66093885      0.05147798     -1.11222316
+H      3.07740819      0.07589928      0.84782858
+H      1.70440838      1.26268684     -2.56660337
+H      3.21885464      2.11371975     -2.97253663
+H      2.10368201      2.81490475     -1.77885029
+H      4.93747884      1.23013230      0.26927748
+H      4.34868875      2.81957340     -0.27919970
+H      5.79356851      0.90612335     -1.98281192
+H      6.36541595      2.34098154     -1.43434357 
+
+14
+-1480.6735638214232 10.147211 11.80941 -10.4245 -8.3707 -11.691 0.721 -0.2835 1.357 11.31957 -1.00071 5.3844888052 10.857082062 0.308684163
+C      0.98798347     -0.05827319     -0.00253974
+C      2.48458393      0.06576106     -0.08258958
+O      3.11661147     -0.37129734     -1.31215915
+C      3.15589493      1.02452766     -0.97754961
+C      4.52049963      1.60112144     -0.63108527
+C      5.28859566      1.98501270     -1.81379197
+N      5.88905850      2.30503584     -2.76073200
+H      0.59780554      0.54069962      0.83353833
+H      0.69859200     -1.10487267      0.16827825
+H      0.51585327      0.28304674     -0.93297797
+H      3.03646261     -0.24101579      0.81689106
+H      2.53374750      1.66197182     -1.61795823
+H      5.09779304      0.86256689     -0.05499452
+H      4.39432845      2.49504522      0.00167042 
+
+15
+-1469.7368189250694 11.527447 12.11049 -8.6678 -6.6619 -9.346 1.2133 -0.4407 0.445 8.91049 0.11549 4.8694509612 11.6341767156 0.232054046
+C      0.92512559      0.24571365     -0.13870321
+C      2.40264115      0.14705783      0.13075431
+O      3.12124586     -0.92172679     -0.51699984
+C      3.41431640      0.45573462     -0.90472660
+C      4.75702128      0.95247928     -0.56278885
+N      5.40611147      1.67027162     -1.41268654
+N      6.61274020      2.19116630     -1.03306864
+H      0.54558770      1.23143282      0.16870159
+H      0.37800417     -0.52047784      0.42990465
+H      0.71166246      0.10205712     -1.20618403
+H      2.70367528      0.30103853      1.17692443
+H      3.06300963      0.73599162     -1.90427103
+H      5.16957214      0.67755854      0.42500360
+H      7.10889391      1.67690455     -0.29438056
+H      7.19924276      2.36513815     -1.84629929 
+
+15
+-1497.778610967883 10.504481 11.46574 -9.1513 -7.13 -10.015 0.6828 -0.266 0.866 9.27753 -0.28469 4.8265146094 8.4771583934 0.231196702
+C      1.00199007     -0.10887201     -0.11706526
+C      2.49778276      0.02236718     -0.03401402
+O      3.25822061     -0.37620935     -1.19622581
+C      3.26171026      1.01227378     -0.83192077
+C      4.57659728      1.55666551     -0.33377388
+N      4.56630465      2.92612737     -0.11174277
+N      5.64490726      0.86438098     -0.16423722
+H      0.52063265      0.48172344      0.67667034
+H      0.70146527     -1.15821227      0.01614038
+H      0.63096359      0.23613725     -1.09113831
+H      2.96286616     -0.29351074      0.90908673
+H      2.69919716      1.66377906     -1.51393135
+H      3.68452508      3.34729570      0.16677241
+H      5.37650435      3.26201688      0.40534443
+H      5.46450283     -0.09874279     -0.47804490 
+
+14
+-1391.7328422298626 10.494263 11.33704 -9.5357 -7.4825 -10.673 1.116 -0.6775 0.116 10.22035 0.45837 5.4042769708 6.4391385184 0.244631942
+C      0.88990009      0.26325234     -0.25977766
+C      2.32938642      0.17751572      0.16951281
+O      3.09535142     -0.94610667     -0.30659414
+C      3.44454705      0.38372946     -0.78359517
+C      4.74756649      0.90123163     -0.33471780
+N      5.47433782      1.54923876     -1.17245549
+O      6.67243576      1.98853838     -0.57090210
+H      0.50093114      1.27807984     -0.09043068
+H      0.27406402     -0.43717157      0.32271194
+H      0.78261434      0.01575215     -1.32404904
+H      2.52702584      0.42279545      1.22241492
+H      3.20147371      0.57702255     -1.83415597
+H      5.07133701      0.71431710      0.69788113
+H      7.11815890      2.43860485     -1.31149274 
+
+14
+-1446.494925672642 9.642308 10.7676 -9.511 -7.4953 -10.925 0.8997 -0.0839 0.268 9.87006 0.35738 4.361083564 11.2325488658 0.160280739
+C      0.97230664     -0.08657039     -0.30774592
+C      2.20837828      0.67624963      0.07744970
+O      3.43122235     -0.08459142      0.23340720
+C      3.34193617      0.86234664     -0.85653254
+C      4.20762402      2.09965274     -0.79179813
+N      4.89036405      2.24066837      0.38205255
+O      4.23701767      2.89897751     -1.72528235
+H      0.21198203      0.60213420     -0.70391794
+H      0.54499365     -0.59505848      0.56824512
+H      1.19960480     -0.84059988     -1.07224932
+H      2.08023853      1.44839658      0.84712578
+H      3.26666737      0.43008544     -1.85969455
+H      4.92210645      1.45829256      1.03028795
+H      5.54485798      3.01016648      0.47426244 
+
+18
+-1743.8004874545695 11.184503 12.51343 -9.4156 -7.1695 -10.812 0.8699 -0.1218 2.836 10.16707 -2.5609 8.6647244142 12.1302818974 0.143372348
+C      0.98706637      0.14634237      0.12040954
+C      2.47707201     -0.06985186     -0.02055997
+O      3.26510089      0.97981452      0.63369418
+C      4.07770092     -0.01986528      1.31085531
+C      3.16498627     -1.16631624      0.82718192
+C      3.80410139     -2.33322938      0.09113499
+N      4.48729212     -3.23268813      1.03356572
+H      0.43484583     -0.67990388     -0.35281612
+H      0.68660674      1.08197483     -0.37296082
+H      0.69908432      0.20368933      1.17971106
+H      2.75618911     -0.13354280     -1.09118349
+H      5.10340487     -0.05320366      0.89595150
+H      4.12910007      0.16396767      2.39541391
+H      2.51251308     -1.54743140      1.62703617
+H      4.46035518     -1.92998918     -0.70930202
+H      3.01253419     -2.91474969     -0.41085613
+H      5.29350386     -2.75518181      1.44615926
+H      4.86578279     -4.03988542      0.53316499 
+
+18
+-1747.3255123806925 11.370496 12.74895 -9.1356 -6.8222 -10.521 0.8532 -0.1094 2.965 9.93841 -2.61982 8.5509300634 10.777421057 0.127357868
+C      1.02170523     -0.02488463     -0.01726652
+C      2.53174136      0.04193454      0.01716178
+O      3.07724976      0.04953451      1.33015756
+C      3.34576903     -0.62367644     -1.07227218
+C      3.26266420      0.89988526     -0.97944069
+C      4.48791282      1.70218479     -0.60825273
+N      5.28177657      1.98509269     -1.81896561
+H      0.64664414      0.01687605     -1.04923180
+H      0.58922153      0.81495153      0.54603827
+H      0.65937350     -0.96376044      0.43268745
+H      2.89240487     -0.82260512      1.72289619
+H      2.82888305     -1.13739474     -1.88449277
+H      4.28843098     -1.07556926     -0.75644244
+H      2.63218778      1.38493331     -1.72995247
+H      5.03825611      1.17156732      0.19020499
+H      4.17031984      2.66993094     -0.18561305
+H      5.62614417      1.10257176     -2.20821110
+H      6.11149507      2.52738792     -1.56642489 
+
+18
+-1747.7357224074408 11.164012 12.23858 -9.1314 -6.982 -10.35 0.8096 -0.1561 2.705 9.81415 -2.40037 8.0151121658 12.9346906668 0.078341513
+C      0.95370372      0.10081509      0.06147681
+C      2.45472979     -0.07036768      0.03233794
+O      3.16806222      0.94610690      0.80160757
+C      4.12878195     -0.04809272      1.25627613
+C      3.20314017     -1.20798800      0.81876688
+C      2.41100129     -1.79873593      1.97935640
+N      3.86586629     -2.28144166      0.09085863
+H      0.46546121     -0.70773654     -0.50392834
+H      0.67434282      1.05405835     -0.41073720
+H      0.56568628      0.10096540      1.08884790
+H      2.81378590     -0.05945939     -1.01927122
+H      5.06929393     -0.00366663      0.67605013
+H      4.35087917      0.05151392      2.33052458
+H      1.97719145     -1.00847519      2.60577721
+H      3.07654290     -2.41281696      2.60223451
+H      1.58962830     -2.43828805      1.61950767
+H      4.27036350     -1.93202973     -0.78175460
+H      3.19714912     -3.01393119     -0.16088100 
+
+14
+-1480.7181511765111 10.059758 11.3415 -10.153 -7.9754 -11.631 0.8816 -0.191 1.222 11.24321 -0.8266 5.346648278 12.498966667 0.189372202
+C      0.99182243      0.06159968      0.10393563
+C      2.48940794     -0.06436215     -0.01165838
+O      3.21796399      0.97499458      0.71482651
+C      4.14623898     -0.00368508      1.24861814
+C      3.21860009     -1.16759538      0.81697365
+C      3.79545343     -2.29403361      0.11123814
+N      4.26886939     -3.18672306     -0.47346185
+H      0.49982053     -0.77317930     -0.41633392
+H      0.65646485      0.99860143     -0.36221456
+H      0.67710175      0.06486572      1.15682369
+H      2.81080371     -0.08491110     -1.06900470
+H      5.11070641      0.00449706      0.71414272
+H      4.30753478      0.12080449      2.32848703
+H      2.59111172     -1.52578326      1.64610790 
+
+16
+-1612.629548382472 10.41821 11.42437 -9.2012 -7.0629 -10.695 0.8261 -0.1123 2.937 10.16882 -2.58315 8.3028092802 12.9731263268 0.150829026
+C      0.94676329      0.32901900      0.37064099
+C      2.23362060     -0.20879671     -0.23152791
+O      1.92652687     -1.42622181     -0.94932337
+C      2.83184447     -1.57205569     -2.05224885
+C      3.28718243     -0.17229115     -2.40347539
+N      2.15300973      0.77848687     -2.52645688
+C      2.91376348      0.68702377     -1.25417470
+H      1.15529198      1.21116758      0.99309586
+H      0.47440543     -0.43403585      1.00338817
+H      0.25056205      0.60776386     -0.43139098
+H      2.97167934     -0.42350634      0.57095099
+H      3.71224304     -2.18553488     -1.77382552
+H      2.28199317     -2.07880383     -2.85981695
+H      4.20449584     -0.01747341     -2.97486292
+H      2.47518748      1.60590534     -3.03943488
+H      3.53791082      1.51855328     -0.92028766 
+
+14
+-1472.706488225422 10.700547 11.15655 -8.461 -6.3909 -9.048 0.7983 -0.2111 1.277 8.48398 -0.6964 6.1694069754 6.1694069754 0.449123829
+C      1.08321019      0.05049378      0.24755889
+C      2.28790337     -0.09122643     -0.32336181
+O      2.64635075     -1.21813354     -1.03480383
+C      4.08632771     -1.26224918     -1.21614249
+C      4.59817707      0.11280144     -0.85427869
+N      3.95558537      1.16841123     -1.66285200
+C      3.43272286      0.85246085     -0.29345722
+H      0.82564684      0.98718645      0.73632502
+H      0.34187015     -0.74525188      0.20906776
+H      4.50965010     -2.03008127     -0.54683209
+H      4.27565334     -1.53536188     -2.26433783
+H      5.60935430      0.23726335     -0.46378702
+H      4.51658292      2.02496867     -1.59145346
+H      3.52143504      1.58576842      0.50766477 
+
+14
+-1503.877906025515 10.875785 11.35501 -7.6148 -5.632 -7.799 0.8071 -0.1558 0.63 7.29633 -0.08065 4.2510335904 6.2515353018 0.37195171
+C      0.94907626     -0.08893114      0.00564308
+C      2.42322939      0.08714973      0.00346703
+C      3.24867084      1.18465774     -0.08181476
+N      2.88542178      2.53533287     -0.26216625
+C      4.59777161      0.68656977     -0.05916774
+C      4.50318220     -0.67131540      0.03770742
+O      3.19492195     -1.06420380      0.06943598
+H      0.45026020      0.87532886      0.17671851
+H      0.63015797     -0.77362623      0.80608634
+H      0.57072841     -0.49080023     -0.94903001
+H      3.46870400      3.16764346      0.28554014
+H      1.90701314      2.71160707     -0.03574875
+H      5.51248599      1.26961126     -0.11753642
+H      5.23822626     -1.46657393      0.09195543 
+
+18
+-1762.514014878575 11.088613 12.20714 -8.978 -6.8496 -10.456 0.9101 -0.0607 2.935 9.87635 -2.63606 8.3204152922 11.4291286688 0.103832069
+C      1.08372128      0.07068179     -0.13121843
+C      2.58795132      0.00077404      0.03895325
+O      3.00813468      1.03257923      0.94002378
+C      4.34414494      0.69554634      1.37295708
+C      4.50587156     -0.82985487      1.20351831
+C      3.13490465     -1.29745774      0.67484093
+N      3.23716583     -2.49204572     -0.16131307
+H      0.73864068     -0.72108191     -0.81244331
+H      0.78099200      1.03721195     -0.55591031
+H      0.58304478     -0.05377931      0.84021557
+H      3.08501101      0.13537823     -0.95058020
+H      5.08254695      1.24766828      0.76282568
+H      4.43908674      1.03258008      2.41522577
+H      5.28152485     -1.06560703      0.45874091
+H      4.78166926     -1.33963955      2.13514321
+H      2.47924344     -1.54665554      1.52736117
+H      3.75853979     -2.27760543     -1.01710429
+H      2.30770623     -2.80361284     -0.45242604 
+
+18
+-1753.2265725761138 11.191611 12.24895 -8.7777 -6.6417 -10.162 0.8646 -0.1433 2.69 9.64339 -2.39778 8.0587056434 12.6078511722 0.071183501
+C      0.94104110     -0.02246746      0.00033221
+C      2.45459085      0.00925968      0.01371121
+O      2.88483380      0.02717730     -1.36416622
+C      3.20157241      1.06264739      0.87678847
+C      4.25170926     -0.01898858      1.25529131
+C      3.22846510     -1.10648356      0.83219371
+N      3.73321211     -2.30085694      0.18523185
+H      0.54475681     -0.08911538      1.02314193
+H      0.58528831     -0.89507286     -0.56812793
+H      0.53457784      0.88065989     -0.47778285
+H      3.74656422      0.47634955     -1.40831263
+H      2.59746220      1.37543556      1.74070838
+H      3.54644192      1.96612137      0.35170765
+H      5.12164103     -0.01301627      0.58036893
+H      4.62175815     -0.04431786      2.28860095
+H      2.62014014     -1.40108779      1.70247714
+H      3.97974521     -2.06554550     -0.78276938
+H      2.99694955     -3.00806855      0.12226526 
+
+16
+-1624.2003103759002 10.91569 11.52962 -8.4731 -6.4063 -9.04 0.9138 -0.0549 1.233 8.59454 -0.67398 5.9310686876 5.9310686876 0.231057944
+C      0.98312584      0.00221070      0.03675219
+C      2.49431955     -0.04980233     -0.10987880
+O      2.83646033     -1.20048964     -0.96440606
+C      3.29787760     -0.67196117     -2.14070410
+C      3.43756357      0.66165692     -2.16617622
+C      3.11050330      1.21361423     -0.80056678
+N      4.29986010      1.82179691     -0.18730239
+H      0.69811883      0.81351236      0.72308468
+H      0.59454164     -0.94356236      0.43723730
+H      0.51012743      0.19008228     -0.93822254
+H      2.97983112     -0.23714732      0.86137438
+H      3.49881050     -1.41014988     -2.91623448
+H      3.80194804      1.25547755     -2.99902774
+H      2.34333637      2.00696492     -0.84753674
+H      5.04459590      1.12353538     -0.11066761
+H      4.08891988      2.15159146      0.75857491 
+
+18
+-1749.2499549540928 11.194966 12.47425 -9.1398 -6.9582 -10.341 0.8357 -0.1311 2.863 9.81049 -2.59692 8.1482483326 10.414452042 0.080421576
+C      0.94925121      0.09131598      0.16181815
+C      2.43660751     -0.07062002     -0.05890241
+O      3.22811215      0.96893462      0.59860743
+C      4.16589082     -0.02371928      1.13387769
+C      5.52918527      0.04359921      0.47153175
+C      3.21390253     -1.17620044      0.70811541
+N      3.79455526     -2.33481503      0.05586992
+H      0.40029938     -0.73394146     -0.31783783
+H      0.58952460      1.03445384     -0.27408854
+H      0.71450816      0.09626352      1.23609653
+H      2.66474943     -0.09540532     -1.14506013
+H      4.26985002      0.10445597      2.22507126
+H      5.45648670     -0.03041675     -0.62348334
+H      6.17240619     -0.77045825      0.83596634
+H      6.00999636      1.00243418      0.71049881
+H      2.62916795     -1.53061222      1.57087467
+H      4.17452592     -2.09020142     -0.86162510
+H      3.09056055     -3.05923714     -0.09305061 
+
+18
+-1762.992351339181 10.947845 11.98086 -8.5684 -6.4099 -10.009 0.8411 -0.1865 2.808 9.29166 -2.48872 7.902433689 10.6625852238 0.134108811
+C      0.97494881      0.00105871     -0.03832793
+C      2.49462512      0.00484800      0.03005157
+O      2.94171866      0.13176859     -1.34242832
+C      3.09793031      1.13026707      0.89520644
+C      4.51980466      0.63064777      1.15603573
+N      4.32800224     -0.81262881      1.39446553
+C      3.09904210     -1.25637519      0.69374987
+H      0.54039822     -0.06907709      0.96771888
+H      0.62020343     -0.85160103     -0.63454999
+H      0.61515278      0.92247786     -0.51638793
+H      3.91225285      0.20433746     -1.33397679
+H      2.54847314      1.20117618      1.84689469
+H      3.05378930      2.10187571      0.38593632
+H      5.17074903      0.85609981      0.28214730
+H      4.98554584      1.11492298      2.02845824
+H      5.14398154     -1.35861581      1.12463607
+H      3.29108348     -2.01968231     -0.07699741
+H      2.38576849     -1.68584989      1.41913773 
+
+18
+-1753.9280707999571 11.236605 12.35654 -9.0546 -6.8934 -10.506 0.7984 -0.179 2.706 9.88178 -2.44134 8.322498257 10.7961181458 0.087228877
+C      1.02462651     -0.01368237      0.55152299
+C      2.34582982      0.01458525     -0.20285785
+O      2.00416459      0.08953052     -1.58823437
+C      3.35501441      1.06610647      0.34946617
+C      4.02593534     -0.05599286      1.17953441
+N      5.46964862      0.03328520      1.34346691
+C      3.33912156     -1.10197371      0.24044736
+H      1.18793405     -0.07048327      1.63640571
+H      0.43189214     -0.88605816      0.24184592
+H      0.44689331      0.89568719      0.33316063
+H      2.83320951      0.12237288     -2.09616978
+H      2.96038789      1.94812265      0.87281248
+H      4.03525496      1.40451782     -0.45006971
+H      3.58129044     -0.10297121      2.18584405
+H      5.93113512     -0.01157160      0.43025546
+H      5.81935453     -0.76096219      1.88547477
+H      4.01380978     -1.37150942     -0.58926562
+H      2.92218743     -2.02231318      0.67553049 
+
+14
+-1404.9234156007922 9.629852 10.28392 -9.4342 -7.3596 -10.649 1.3616 -0.4328 0.295 10.18218 0.28824 5.1526473838 6.5597520992 0.25109189
+C      0.96189913     -0.01803817      0.25405691
+C      2.36308510      0.04111151     -0.29992416
+O      2.47409862      1.15154060     -1.17679478
+C      3.81280604      1.24295364     -1.65919916
+C      4.40472897     -0.11152520     -1.89791787
+N      3.85555802     -1.24953995     -1.64961926
+O      2.60774136     -1.19802503     -0.98800655
+H      0.76196856      0.88215867      0.84814053
+H      0.84799879     -0.90320696      0.89106656
+H      0.24121869     -0.07198813     -0.57171122
+H      3.13597032      0.12628308      0.49256645
+H      4.44954949      1.83529781     -0.96998865
+H      3.76653411      1.79139145     -2.61373340
+H      5.37900280     -0.18199331     -2.39124541 
+
+13
+-1388.696634253604 10.091032 10.60032 -7.9509 -5.9218 -7.968 0.9454 -0.1717 0.222 7.51067 0.41209 3.9142008242 6.873721847 0.237932218
+C      0.91309415     -0.16817835      0.01941796
+C      2.37683503      0.06434449      0.01175025
+C      3.19052236      1.16825304      0.06345278
+N      2.85943282      2.52320485      0.18886787
+N      4.52369643      0.77121182      0.05496534
+C      4.47213433     -0.52884611     -0.00535794
+O      3.21765577     -1.04805418     -0.04273047
+H      0.38940544      0.78512818      0.16905861
+H      0.61629074     -0.84043937      0.83946308
+H      0.55165359     -0.61108017     -0.92273429
+H      3.67357778      3.10627071     -0.00132707
+H      2.07776816      2.81003131     -0.39755771
+H      5.29731340     -1.23354622     -0.03086842 
+
+11
+-1235.9717686980314 10.04876 9.80071 -9.344 -7.3988 -9.608 -0.6376 -2.3271 -0.79 9.00677 1.30034 4.155266804 6.2404757506 0.290616306
+C      1.07109853     -0.05227516      0.08326068
+C      2.39237615      0.03874475     -0.09698446
+O      3.16433573     -1.07039841     -0.46053761
+C      4.44532856     -0.56867611     -0.54576314
+N      4.63395616      0.67576789     -0.29896599
+C      3.34380662      1.18963831      0.01325550
+N      3.15449783      2.42053928      0.31673586
+H      0.50130710      0.83119791      0.36536643
+H      0.54151642     -0.99392449     -0.04508564
+H      5.20040682     -1.30252214     -0.82409380
+H      2.15698010      2.58936817      0.50781218 
+
+17
+-1620.4325428702048 10.836852 11.8442 -8.4928 -6.3435 -9.826 0.7405 -0.2563 2.835 9.59236 -2.47849 7.743111679 11.3370566652 0.091574774
+C      0.95516148      0.02859550     -0.05907318
+C      2.45899993      0.08994819      0.04593427
+O      2.94135431      0.29937119      1.36794754
+C      3.36756404     -0.72260468     -0.88354111
+N      2.91167406     -1.57789310     -1.95447053
+C      3.28163476      0.79889877     -1.00504738
+N      4.32069854      1.71317000     -0.60680317
+H      0.63043212     -0.08693493     -1.10221078
+H      0.51053397      0.95071383      0.34151318
+H      0.55294922     -0.82279169      0.51464038
+H      2.91257968     -0.55588737      1.83262921
+H      4.28347583     -1.06833186     -0.38835015
+H      2.47237591     -1.03675550     -2.70094488
+H      2.22922265     -2.26816270     -1.63273770
+H      2.69897057      1.14256072     -1.87061635
+H      5.18770640      1.52000089     -1.11267925
+H      4.50751653      1.58823276      0.39157989 
+
+12
+-1321.2795540478216 9.313181 9.9443 -8.4031 -6.322 -8.338 1.4393 -0.273 0.018 7.9288 0.61337 4.036488216 7.2013920478 0.250211194
+C      0.93061656     -0.10293024     -0.00616154
+C      2.39862191      0.08567147     -0.00316700
+C      3.23827486      1.16623497     -0.00330534
+O      2.88650175      2.47934699     -0.00610378
+N      4.55975606      0.76416349     -0.00021990
+C      4.49008625     -0.53871430      0.00161314
+O      3.22633530     -1.03682089     -0.00005053
+H      0.44660604      0.88136160      0.00093138
+H      0.58719349     -0.65982567      0.87907027
+H      0.58838148     -0.64624717     -0.90034597
+H      3.71964026      2.98670680     -0.00485278
+H      5.30406604     -1.25623704      0.00443205 
+
+10
+-1179.7196131698038 9.115888 9.09442 -10.0049 -8.0641 -10.431 -0.9273 -2.7075 -1.272 9.69538 1.84313 3.52988142 6.1654146262 0.296127409
+C      1.07900820     -0.04836798      0.05753941
+C      2.39879995      0.01304528     -0.12863880
+O      3.18868110     -1.09902362     -0.42454343
+C      4.45860706     -0.57934673     -0.52990776
+N      4.63511169      0.68187515     -0.35359052
+C      3.32574353      1.19636719     -0.07636549
+O      3.03724165      2.35359366      0.15233577
+H      0.55304222      0.87775397      0.28439643
+H      0.52292992     -0.98146440     -0.00958100
+H      5.22417467     -1.31956251     -0.76240461 
+
+16
+-1553.3419495059097 10.112187 11.19483 -8.4659 -6.3086 -9.939 0.8312 -0.1672 2.821 9.63855 -2.48114 7.666302352 9.5468476084 0.148540507
+C      0.89327245     -0.02726589     -0.05334232
+C      2.38820105     -0.09366470      0.10470179
+O      2.79121200     -0.13579886      1.45706321
+C      3.28151900     -0.85089453     -0.89543171
+N      2.86593480     -1.50976606     -2.11358646
+C      3.31532531      0.65823272     -0.82748357
+O      4.39021533      1.32915638     -0.19687360
+H      0.59710473     -0.07713543     -1.11013286
+H      0.49944253      0.90463494      0.37706153
+H      0.42311485     -0.87230918      0.47149013
+H      3.56780408      0.45754159      1.52238184
+H      4.12582899     -1.33884769     -0.39419949
+H      2.32696205     -0.88012814     -2.71001673
+H      2.26542997     -2.31191146     -1.90606689
+H      2.86065849      1.21372046     -1.65880595
+H      5.21453437      1.07364585     -0.64771891 
+
+14
+-1447.2880882402035 9.568069 10.34444 -9.4156 -7.3768 -10.72 0.8684 -0.2638 0.405 9.84302 0.28871 4.3448289994 6.4123575424 0.126675473
+C      0.97367598     -0.02739937      0.17028483
+C      2.46641653      0.07101875     -0.08237355
+O      2.66547422      0.15845760     -1.48231641
+C      3.23216123      1.11642595      0.81414414
+N      3.88949172     -0.02765754      1.46436395
+C      3.32315846     -1.00790409      0.67767885
+O      3.46834353     -2.21262047      0.61224784
+H      0.75596330     -0.04408851      1.24624342
+H      0.58461516     -0.94809536     -0.28347426
+H      0.46146215      0.83270105     -0.28389595
+H      3.57900504     -0.10890070     -1.68674961
+H      2.60298173      1.72078364      1.48415791
+H      3.91511453      1.76157532      0.24229196
+H      4.54479643     -0.08570629      2.24231688 
+
+11
+-1210.2438478932368 10.262068 9.62635 -8.9535 -6.9484 -8.986 -0.4083 -2.1251 -0.744 8.63615 1.29165 4.1367060998 5.436042184 0.280297975
+C      0.92043992      0.05538728     -0.00006321
+C      2.26415692      0.01965526     -0.00120127
+O      2.98812922      1.21962585     -0.00263127
+C      4.34730039      1.10013060     -0.00369173
+N      5.05804961      0.03352448     -0.00357494
+N      4.37534413     -1.21683677     -0.00216780
+C      3.08126895     -1.17978449     -0.00109666
+H      0.37327010      0.99561484     -0.00022307
+H      0.36516343     -0.87958222      0.00105020
+H      4.82642613      2.08150894     -0.00475649
+H      2.56475122     -2.14540378     -0.00001376 
+
+13
+-1346.0338774931615 9.513473 9.91532 -9.9655 -7.9014 -10.276 -0.2055 -2.0401 -0.128 9.96453 0.63005 4.9561667696 10.0399895248 0.33441213
+C      0.94916338     -0.00439010      0.07456662
+C      2.47972041     -0.00195382      0.10843953
+O      2.86468006     -0.00187202      1.49097749
+C      3.06800572      1.13231989     -0.71034978
+N      3.76301451      0.74513432     -1.71902235
+N      3.76544688     -0.74362146     -1.71952331
+C      3.07166062     -1.13372666     -0.71114161
+H      0.57883006     -0.00315596     -0.95858951
+H      0.57070386      0.88610341      0.59354645
+H      0.57340179     -0.89781392      0.59044814
+H      3.83873768     -0.00062936      1.53211108
+H      2.91782453      2.19316621     -0.49663074
+H      2.92493051     -2.19520052     -0.49809200 
+
+15
+-1491.7298577595986 10.287987 10.66018 -8.6026 -6.5907 -9.263 1.2495 -0.373 0.519 8.7981 0.07751 5.0670350508 5.3107419324 0.114320246
+C      0.95437283      0.03303758     -0.10696284
+C      2.47695634     -0.03498716     -0.00342605
+O      2.97279370      0.09323806     -1.34768541
+C      2.98339848     -1.31885146      0.71393665
+N      3.27160855     -0.83819585      2.08035080
+N      3.49741642      0.53232413      2.05529784
+C      3.03650850      1.00895809      0.94543897
+H      0.49973468     -0.12039510      0.88080967
+H      0.59152154     -0.74599358     -0.79278218
+H      0.64126765      1.01153693     -0.49489715
+H      3.93773777      0.21701996     -1.28984096
+H      3.89534911     -1.68288256      0.20530873
+H      2.23771049     -2.12501787      0.72380267
+H      4.01697581     -1.31251412      2.58898903
+H      3.01604811      2.08347296      0.76320024 
+
+13
+-1348.1785793982438 9.598974 9.85286 -9.3261 -7.2862 -9.581 0.3677 -1.4078 0.005 9.28555 0.56989 4.4025692796 11.5443240614 0.161256233
+C      1.06111046      0.13515361     -0.13037342
+C      2.53929629     -0.05271292      0.19557329
+O      3.31981687      1.11490423     -0.23044150
+C      3.61565846      1.07616675     -1.55363079
+N      3.70470419      0.02915035     -2.30354506
+N      3.70140867     -1.21338261     -1.62612533
+C      3.15332496     -1.25890083     -0.46358561
+H      0.68479010      1.06319014      0.32066605
+H      0.48652641     -0.70801282      0.27858276
+H      0.89628415      0.16670572     -1.21550257
+H      2.69102131     -0.09312214      1.28365233
+H      3.82825907      2.06435758     -1.96999367
+H      3.18732906     -2.21631705      0.06775352 
+
+14
+-1447.2999543476708 9.507215 10.56913 -9.7424 -7.5439 -10.887 0.7754 -0.6023 0.148 10.35278 0.51152 4.3212716594 7.5708207334 0.084962056
+C      0.96972816      0.13115300      0.13564310
+C      2.44730475     -0.08574823     -0.07441365
+O      3.27029521      0.94469470      0.61981880
+C      4.03470005     -0.02332859      1.25527429
+O      5.00784411      0.14345746      1.93653373
+C      3.18609787     -1.19933579      0.73182348
+N      3.89164164     -2.30903528      0.14895828
+H      0.39948313     -0.67249777     -0.35323590
+H      0.64546410      1.08737114     -0.29741024
+H      0.72137168      0.13461753      1.20661932
+H      2.72420300     -0.08756844     -1.14064316
+H      2.54317646     -1.57054192      1.54693744
+H      4.47325437     -2.02579127     -0.64150037
+H      3.25643547     -3.04480653     -0.16009512 
+
+12
+-1264.910803236264 10.060917 9.78594 -9.0535 -7.0725 -9.523 -0.0317 -1.7397 -0.716 8.98101 1.19979 4.7596117638 5.2388920454 0.369362455
+C      0.93544347      0.03523922      0.01450016
+C      2.28123162      0.07975355      0.05771847
+O      2.94009369      1.23630769      0.41269411
+C      4.30139917      1.17590019     -0.01714229
+O      4.99058819      0.05949693      0.51555857
+N      4.39718736     -1.17023335      0.13402981
+C      3.13055083     -1.08936963     -0.13378176
+H      0.33807188      0.92095342      0.22230844
+H      0.43090211     -0.90564199     -0.19252433
+H      4.80431073      2.06844083      0.36909535
+H      4.33146161      1.12126478     -1.12107225
+H      2.67130934     -2.03127162     -0.44220428 
+
+14
+-1409.964624222222 9.441055 10.03242 -9.6297 -7.5676 -10.727 1.0606 -0.7278 0.157 10.29658 0.4339 5.339891041 6.3358829776 0.15354462
+C      0.95641053     -0.03792319     -0.18282687
+C      2.46539230     -0.01592436      0.01963268
+O      3.03621466      0.24939508     -1.28164821
+C      3.03776216     -1.27387265      0.69234244
+O      4.08784363     -0.80544741      1.58967243
+N      3.89869297      0.57227331      1.80388964
+C      2.98071494      1.00644948      1.01223112
+H      0.43583342     -0.18735287      0.77136997
+H      0.67954773     -0.84859238     -0.87115305
+H      0.62474583      0.91047860     -0.62485393
+H      3.99739831      0.36495702     -1.16708698
+H      3.48289833     -1.97469130     -0.02553554
+H      2.27691944     -1.78367984      1.30451547
+H      2.72112575      2.06475051      1.02083084 
+
+14
+-1401.9057754362939 9.504856 10.06221 -9.4759 -7.4263 -10.639 1.1124 -0.5691 0.276 10.15693 0.32036 5.1480599018 6.570452091 0.207639351
+C      1.02258032      0.17038855     -0.01729368
+C      2.53493870     -0.01716813      0.11932286
+O      3.25896939      1.18502897     -0.20662059
+C      3.67062868      1.13648958     -1.55314074
+O      4.59361941      0.07960476     -1.81117860
+N      4.06036701     -1.19042185     -1.49321208
+C      3.07966994     -1.18558070     -0.65690011
+H      0.69543116      1.00044165      0.62222530
+H      0.48974147     -0.74019385      0.29221456
+H      0.74385428      0.39185998     -1.05669622
+H      2.77674193     -0.21097426      1.18005226
+H      4.20714062      2.06587897     -1.77555854
+H      2.80117210      0.99673801     -2.22580721
+H      2.67443500     -2.17999168     -0.44373722 
+
+16
+-1604.5358393669583 10.615495 11.39851 -9.0556 -7.0322 -10.261 1.2262 -0.2998 0.482 9.82293 0.12113 5.4098067464 6.19620035 0.162361984
+C      0.98375725      0.01762929      0.05158797
+C      2.49630556     -0.02321331     -0.09782967
+O      2.85669830     -1.17568960     -0.95191132
+N      3.30692378     -0.70458545     -2.19196639
+C      3.41799293      0.57558904     -2.14837176
+C      3.10533270      1.20113885     -0.81359846
+C      4.35564232      1.78662116     -0.13807835
+H      0.68952430      0.82784143      0.73540118
+H      0.61026289     -0.93117033      0.45867644
+H      0.50389242      0.18982862     -0.92251248
+H      2.98340988     -0.20848644      0.87256667
+H      3.76718017      1.10248802     -3.03664988
+H      2.34841526      1.99652014     -0.92290381
+H      5.12345556      1.01180295     -0.00281442
+H      4.10411908      2.20167544      0.84866505
+H      4.79115760      2.59550018     -0.74199076 
+
+14
+-1464.6234035769226 11.056519 11.00028 -8.6905 -6.7277 -9.23 0.0948 -1.5417 -0.549 8.71822 1.01551 4.8983396992 4.8983396992 0.444801362
+C      0.99119542      0.05100266      0.12680784
+C      2.48818498     -0.02958398     -0.13606281
+O      2.75867926     -1.14841277     -1.06073742
+N      3.40878498     -0.67081172     -2.19575542
+C      3.59277354      0.60913514     -2.08005232
+C      3.08322000      1.16790890     -0.84203000
+C      3.11946131      2.44957105     -0.43207602
+H      0.78215923      0.86524469      0.83521104
+H      0.62426353     -0.88946738      0.55797242
+H      0.44915680      0.25155382     -0.80657340
+H      3.03792396     -0.26505412      0.79039525
+H      4.08669654      1.14670350     -2.88804393
+H      2.70478477      2.75889766      0.52769329
+H      3.57216569      3.22373256     -1.05167852 
+
+13
+-1360.968980392936 10.067098 10.49859 -8.2737 -6.2764 -8.613 0.9142 -0.4083 -0.121 8.13214 0.70355 4.2969456062 11.5153485332 0.374807601
+C      0.93913873     -0.08875970      0.01716000
+C      2.41362565      0.08918888      0.02348684
+C      3.23474168      1.18774195     -0.07954858
+N      2.90007700      2.53598614     -0.30104691
+C      4.54643731      0.63230009     -0.02392581
+N      4.53713011     -0.68123993      0.10819098
+O      3.18208620     -1.03798014      0.12821640
+H      0.43656661      0.84726330      0.29870844
+H      0.63906749     -0.86351588      0.73611232
+H      0.56453571     -0.38636799     -0.97513009
+H      3.47706067      3.17809605      0.24134455
+H      1.91763927      2.73495219     -0.11569737
+H      5.50296359      1.14940503     -0.07450076 
+
+15
+-1477.5255202767762 10.175527 10.72089 -9.2684 -7.244 -10.459 1.0766 -0.5114 0.407 10.01975 0.18713 5.3698088628 6.3093003792 0.163035124
+C      0.97074818      0.00279340      0.02687164
+C      2.48780716     -0.03911316     -0.07226680
+O      2.87290021     -1.17981557     -0.92125967
+N      3.31491343     -0.69404991     -2.16043414
+C      3.40604964      0.58822292     -2.11463027
+C      3.11378629      1.19810983     -0.76553572
+N      4.33733427      1.78847002     -0.21586698
+H      0.65430329      0.80851572      0.70611704
+H      0.58154734     -0.94836327      0.41258985
+H      0.52326864      0.18283145     -0.96121971
+H      2.95010972     -0.21981562      0.91095442
+H      3.75658036      1.13135935     -2.99107744
+H      2.36894454      2.00715896     -0.84493234
+H      5.04235021      1.06410529     -0.05840853
+H      4.14839674      2.23622059      0.68326865 
+
+12
+-1290.83420035341 9.31472 9.87143 -8.7173 -6.7004 -9.036 1.1153 -0.5928 -0.31 8.48686 0.89383 4.4429267226 11.2018003378 0.465860385
+C      0.93897289     -0.06465668     -0.00400772
+C      2.41346413      0.09131471     -0.00513597
+C      3.24002365      1.18753015     -0.00115176
+O      2.81648659      2.49162555      0.00517908
+C      4.55422626      0.64770317     -0.00524329
+N      4.54536224     -0.67450298     -0.01104292
+O      3.18709775     -1.03184092     -0.01135958
+H      0.46943553      0.92619130      0.00853907
+H      0.59779430     -0.62432832      0.87918952
+H      0.59376887     -0.60343077     -0.89863343
+H      3.59424811      3.07413762      0.00777246
+H      5.51036968      1.16823717     -0.00395546 
+
+14
+-1410.3725328418552 9.483813 10.06566 -9.5814 -7.5556 -10.674 0.9504 -0.8239 0.135 10.25223 0.44015 5.295318074 6.2687693558 0.174101683
+C      0.96618641      0.00515579      0.01390952
+C      2.48485034     -0.00734747     -0.06215502
+O      2.90682175     -1.16163094     -0.87771132
+N      3.35370033     -0.69984782     -2.11759363
+C      3.40006751      0.58949967     -2.11165797
+C      3.09135433      1.21303306     -0.77679656
+O      4.26212295      1.77194437     -0.16229660
+H      0.62670382      0.81871660      0.67105297
+H      0.59557073     -0.94560318      0.41741564
+H      0.52665983      0.15160961     -0.98304707
+H      2.94165296     -0.13907040      0.93000117
+H      3.74029025      1.11592512     -3.00233209
+H      2.37718102      2.04694105     -0.83317269
+H      4.98321777      1.12191452     -0.25601635 
+
+14
+-1459.536609262597 10.649776 10.95693 -8.9042 -6.9055 -9.292 0.0283 -1.6525 -0.383 8.78319 0.90299 4.4851191584 6.8232967408 0.338536984
+C      0.93165769      0.05516026      0.28286326
+C      2.37864386     -0.00532605     -0.16862585
+O      2.54363287      1.05968082     -1.16459352
+N      3.81371661      1.15807983     -1.73794348
+C      4.48186093      0.04404533     -1.82828146
+C      3.91095577     -1.26144980     -1.54969267
+C      2.80209699     -1.30680231     -0.78833663
+H      0.69163601      1.05062906      0.67689807
+H      0.76333451     -0.68345694      1.07929965
+H      0.25313237     -0.16686878     -0.55222526
+H      3.05318269      0.24959333      0.67650577
+H      5.46460386      0.15672220     -2.29098823
+H      4.33148442     -2.13890148     -2.04277033
+H      2.22850143     -2.21918546     -0.61614930 
+
+14
+-1420.0263259667422 9.609413 10.64518 -8.7331 -6.7493 -10.225 0.9055 -0.0013 0.429 9.7307 0.16746 5.920889437 12.657606754 0.157861184
+C      0.89919735     -0.14526767      0.16603488
+C      2.31185058      0.08815518     -0.30423073
+O      2.85087723     -1.08057778     -0.93842075
+N      3.64555001     -0.61374825     -2.04406163
+C      3.30279190      0.61608897     -2.21325930
+C      3.78457973      1.49902889     -3.30286545
+O      2.37995216      1.11426580     -1.33122196
+H      0.50496393      0.76265345      0.64046440
+H      0.89196691     -0.95568963      0.90647513
+H      0.26103565     -0.42605213     -0.68123560
+H      2.98472187      0.40780828      0.52067439
+H      4.28196148      2.38810318     -2.89147784
+H      2.93566724      1.84045908     -3.91235450
+H      4.48573398      0.94619263     -3.93601104 
+
+14
+-1485.6839840713915 10.425795 11.18995 -9.3817 -7.3692 -9.25 1.0209 -0.5783 -0.09 8.58619 0.66034 4.77532079 6.8903483696 0.415025817
+C      0.93943992     -0.22391811     -0.09981698
+C      2.43578983      0.06749084      0.10084855
+C      2.76726929      1.52118084      0.04643019
+C      3.19655455      2.43253161      0.97532865
+C      3.29241661      3.64736528      0.24561020
+N      2.95388054      3.50730093     -1.02157852
+O      2.61568642      2.14168525     -1.15352771
+H      0.75159054     -1.30539277     -0.05781516
+H      0.59525518      0.14644862     -1.07446046
+H      0.33644762      0.26075798      0.68049713
+H      3.02207984     -0.45694921     -0.67107628
+H      2.77398612     -0.31807113      1.07337374
+H      3.41341081      2.25726820      2.02316764
+H      3.59965272      4.63094167      0.59504901 
+
+12
+-1342.555926179484 11.118079 10.84357 -8.9851 -7.0442 -8.767 -0.1025 -1.6919 -0.719 8.13524 1.23949 4.2226903908 4.2226903908 0.43093451
+C      2.79913046     -1.12439126      0.41803896
+C      2.22250827      0.06252720      0.16056359
+C      2.91253359      1.33393326      0.10877972
+C      2.46457628      2.61246450     -0.13879016
+C      3.63252398      3.40865021     -0.04540762
+N      4.70988944      2.69711720      0.23404845
+O      4.25532258      1.36796105      0.33404766
+H      2.20561362     -2.03736270      0.43831926
+H      3.86843118     -1.21030084      0.61271556
+H      1.14852360      0.12146346     -0.03139399
+H      1.44899405      2.92532428     -0.35452755
+H      3.73877294      4.48393364     -0.17106388 
+
+10
+-1181.3092344826023 10.6353 10.58662 -9.376 -7.4237 -9.016 -0.0409 -1.7135 -0.729 8.42567 1.19914 4.063331185 11.2519402762 0.524898828
+C      0.94992849     -0.07182851     -0.00278623
+C      2.16247753      0.01051813      0.00016134
+C      3.56505454      0.11275247      0.00341186
+C      4.42230434      1.18886250      0.00310057
+C      5.70767650      0.59503396      0.00767172
+N      5.65608380     -0.72539757      0.01077342
+O      4.29415853     -1.04831555      0.00797700
+H     -0.11841761     -0.14694418     -0.00535507
+H      4.15609234      2.23928604     -0.00002675
+H      6.68165154      1.07944271      0.00903214 
+
+14
+-1456.0986250579256 10.526874 10.98147 -9.187 -7.1224 -9.876 1.1652 -0.4783 0.421 9.89965 0.18232 5.3903285458 6.7533686368 0.444665683
+C      1.78723635     -0.79798662     -1.00792283
+C      2.09237594      0.10985674     -0.07586282
+C      3.14388390      1.17027376     -0.19234070
+C      3.61061575      1.59061038     -1.59165098
+C      3.55176623      3.08740004     -1.45337757
+N      2.98859079      3.50768181     -0.37721156
+O      2.61100825      2.42226513      0.41456006
+H      1.02389247     -1.55468744     -0.82536061
+H      2.28661078     -0.82983560     -1.97863038
+H      1.57707755      0.09339158      0.88917282
+H      4.01119212      0.89354390      0.43598187
+H      2.92676813      1.25363594     -2.38942694
+H      4.61685097      1.22388391     -1.83479553
+H      3.88427078      3.81574646     -2.19218483 
+
+12
+-1297.4697061047698 10.172121 10.69319 -9.4125 -7.3797 -10.042 1.2401 -0.5204 0.342 10.00402 0.26806 4.3886456518 10.9885816136 0.275082868
+C      0.93215089     -0.01997130      0.14168733
+C      2.14180346      0.00573629      0.05241888
+C      3.59361783      0.01325521     -0.04434775
+C      4.18661843     -1.22459328     -0.75499181
+C      4.68952383     -0.59256261     -2.02332121
+N      4.60776085      0.68787561     -2.06099227
+O      4.03709342      1.16907027     -0.88024578
+H     -0.13636152     -0.02960140      0.21421349
+H      4.03709115      0.17857700      0.94854434
+H      3.43049470     -1.99941402     -0.93917741
+H      5.00992710     -1.68073725     -0.18412120
+H      5.12222987     -1.11908453     -2.87302662 
+
+16
+-1603.501154316764 10.608299 11.42878 -9.062 -6.9775 -10.259 1.5988 -0.1751 0.473 9.85086 0.11434 5.4148901724 6.1750111426 0.179191906
+C      3.26154890     -1.17477889     -0.50026029
+C      2.52854098      0.04474759      0.06357216
+C      3.36269462      1.31806958     -0.00743551
+C      3.58329536      1.89703189     -1.41705662
+C      3.02556696      3.28201368     -1.24102842
+N      2.52324223      3.51964758     -0.08234009
+O      2.65523966      2.39140116      0.73113043
+H      2.64123945     -2.07744397     -0.41581420
+H      4.19950744     -1.36277739      0.04415538
+H      3.51375756     -1.04618480     -1.56363492
+H      2.26186902     -0.13106587      1.11716762
+H      1.58290553      0.21435486     -0.47752568
+H      4.32189188      1.17173835      0.51842931
+H      3.03095180      1.34142941     -2.19455322
+H      4.64096287      1.91360211     -1.71907681
+H      2.99062574      4.06384469     -1.99948912 
+
+14
+-1484.6423420844771 10.318554 11.1043 -9.6497 -7.6392 -9.612 1.1327 -0.5382 -0.102 8.98709 0.63272 5.0699487218 6.84464713 0.331236748
+C      0.94739484     -0.06716135     -0.11240133
+C      2.46464814      0.01289404      0.10997173
+C      2.99423913      1.41528541      0.05470075
+N      3.49716667      1.97269643      1.14396533
+O      3.88707443      3.27646090      0.76255506
+C      3.59775747      3.44208274     -0.54705987
+C      3.03234766      2.31280929     -1.05820002
+H      0.60717647     -1.11115256     -0.07045642
+H      0.65970448      0.34142484     -1.09194878
+H      0.40924685      0.49957235      0.66014922
+H      2.98542298     -0.59171971     -0.65002555
+H      2.72858649     -0.40775264      1.09070315
+H      3.85349786      4.41009070     -0.96840538
+H      2.69520655      2.13963958     -2.07442790 
+
+12
+-1341.078153024884 10.678694 10.70435 -9.3862 -7.4284 -9.46 0.351 -1.2882 -0.586 8.77302 1.2035 4.8631152766 11.1571157834 0.473042467
+C      2.72870699     -1.20210797      0.36144989
+C      2.26083656      0.03063359      0.11190971
+C      3.07949631      1.23393507      0.02623501
+N      2.48251582      2.39557711     -0.22905260
+O      3.50754488      3.35454196     -0.25110869
+C      4.68653100      2.73251459     -0.00773336
+C      4.49466668      1.39896541      0.17637883
+H      2.05532248     -2.05706600      0.41082968
+H      3.78983256     -1.39944343      0.52346201
+H      1.19223941      0.19480540     -0.04610165
+H      5.56400183      3.37233228      0.00133463
+H      5.24472548      0.64522196      0.38681654 
+
+10
+-1180.1485325435187 10.252443 10.53313 -9.7555 -7.7589 -9.656 0.2593 -1.4271 -0.593 8.948 1.19259 3.9764913906 6.5138028876 0.443809646
+C      0.93815809      0.05568844      0.00011670
+C      2.15224129      0.05161374      0.00043165
+C      3.56886869     -0.00671658      0.00070290
+N      4.30096600      1.10973337      0.00053544
+O      5.63065107      0.67252627      0.00105900
+C      5.65595837     -0.68130492      0.00115719
+C      4.39015780     -1.17985490      0.00109524
+H     -0.13253334      0.07147503     -0.00015784
+H      6.64215604     -1.13585726      0.00141706
+H      4.06843600     -2.21446319      0.00124266 
+
+14
+-1495.6051709737803 10.659375 11.32086 -9.4181 -7.4001 -9.984 1.1541 -0.3659 0.588 9.74236 0.11305 4.4198281308 6.6507826204 0.408757008
+C      0.79536620      0.34129846      0.81663817
+C      1.76872880      0.40367695     -0.09794104
+C      3.06121755      1.14482941      0.05727047
+C      3.16714089      2.55942580     -0.61323967
+C      3.47177612      3.08393275      0.81096429
+O      3.77517475      4.15156093      1.30270180
+N      3.28898935      1.82198075      1.34620826
+H     -0.12290891     -0.21479967      0.62695889
+H      0.88501444      0.85206054      1.77764120
+H      1.65136070     -0.11719835     -1.05459312
+H      3.90618100      0.49630769     -0.23357579
+H      2.22976833      2.93572526     -1.03986209
+H      3.99343115      2.69088636     -1.32193248
+H      3.49852963      1.45380313      2.27332110 
+
+16
+-1641.5581405054604 10.752477 11.87308 -9.3711 -7.3751 -10.606 0.7523 -0.1754 0.657 9.69546 0.03497 4.4355123598 6.4162507028 0.156498821
+C      2.25747736     -0.55994993     -1.41944176
+C      2.31456778      0.11000655     -0.04518770
+C      3.30060911      1.27121782     -0.00151488
+C      2.87592709      2.60529693     -0.68772586
+C      3.00685541      3.24835848      0.71523568
+O      2.89408214      4.36376322      1.18316985
+N      3.33353312      2.02604104      1.26945821
+H      1.53906481     -1.39086696     -1.42400081
+H      3.23880369     -0.96631573     -1.70743234
+H      1.94921343      0.15109887     -2.20047377
+H      2.60465245     -0.63244192      0.71741828
+H      1.31856303      0.48389487      0.24515565
+H      4.30565841      0.93695968     -0.31379619
+H      1.85460707      2.61655635     -1.09042659
+H      3.57600695      3.01222190     -1.42725855
+H      3.65650814      1.77771882      2.20388078 
+
+14
+-1474.2409121771686 11.261542 11.88886 -9.7204 -7.6484 -9.883 0.9478 -0.7698 0.145 10.0078 0.47523 4.1110285992 6.3709214212 0.503188227
+C      1.59240195     -0.71862970     -0.65990788
+C      2.29727300      0.36179416     -1.01714420
+C      2.96116683      1.26409962     -0.05469930
+C      4.30072694      1.91008102     -0.35715148
+N      3.08392708      2.68793038     -0.41581705
+C      2.80564259      3.72905524      0.46795952
+O      3.61488579      4.55987025      0.84494723
+H      1.13409929     -1.36938958     -1.40427906
+H      1.45277023     -0.98829622      0.38960388
+H      2.41828612      0.62246666     -2.07339251
+H      2.77501432      1.05284678      1.00461830
+H      4.77741519      1.69961366     -1.31728787
+H      4.97628945      2.10506804      0.47976683
+H      1.72634123      3.75743969      0.73933359 
+
+16
+-1619.3125030730673 11.016291 12.21446 -9.5055 -7.5098 -10.726 1.1382 -0.4946 0.253 9.95631 0.36214 4.1243570942 6.4886709254 0.16014112
+C      1.38977417     -0.54109310     -0.47437523
+C      2.15588766      0.69723265     -0.94686930
+C      2.39948483      1.68209353      0.17355534
+C      3.62027342      1.60441129      1.05778852
+N      3.50416439      2.63272758      0.03785175
+C      3.41091195      3.98800489      0.33488463
+O      4.06801957      4.56984507      1.18246553
+H      1.22145326     -1.23962126     -1.30519998
+H      0.40563320     -0.27179202     -0.06261472
+H      1.94394457     -1.07748680      0.30983611
+H      1.59535981      1.20376289     -1.75003708
+H      3.12831918      0.41178876     -1.37787581
+H      1.49816109      2.07462086      0.66151949
+H      4.36217519      0.82655380      0.85942400
+H      3.54364608      1.93411484      2.09684367
+H      2.70658163      4.50893701     -0.35382693 
+
+14
+-1494.352833002104 10.927089 11.48496 -9.178 -7.1826 -9.719 1.2267 -0.3287 0.472 9.54859 0.20015 4.3692170456 6.4010996136 0.263707435
+C      0.79910113     -0.20154047      0.39970518
+C      1.52608643      0.84722552      0.80339809
+C      2.68466197      1.41209207      0.05744785
+C      2.80111662      2.96812986     -0.02967285
+N      4.05990121      2.86503550      0.72335909
+C      4.05072624      1.49158406      0.83691663
+O      4.81506397      0.69464958      1.33720265
+H     -0.02358743     -0.58804727      1.00206658
+H      1.00951650     -0.71195739     -0.54316737
+H      1.29092717      1.32879004      1.75956758
+H      2.82042467      0.91424501     -0.91370454
+H      2.00798403      3.51656561      0.49971221
+H      2.91604561      3.36078459     -1.05057875
+H      4.76330186      3.55561328      0.98164766 
+
+18
+-1744.6295887811261 11.299983 12.67115 -8.6932 -6.5298 -10.058 0.8702 -0.1042 3.036 9.63224 -2.7088 8.0199476198 10.894959785 0.153676354
+C      2.95830679     -1.19968205     -0.65328571
+C      2.39504890      0.06094656      0.01190543
+C      3.40361289      1.18680716      0.07763388
+C      3.55298619      2.23746437     -1.04194518
+N      2.73510321      2.32536068     -2.23274161
+C      2.97796466      2.61133211      0.29577678
+O      3.71981919      3.37652354      1.22237959
+H      2.21427055     -2.00893827     -0.67383967
+H      3.84167379     -1.57025291     -0.11138151
+H      3.26867004     -0.99925262     -1.69002297
+H      2.05160759     -0.17931533      1.03244498
+H      1.49790912      0.39313899     -0.53777944
+H      4.35137468      0.93361171      0.56374196
+H      4.58127705      2.57244489     -1.20387075
+H      1.74167683      2.26834978     -2.00102042
+H      2.93401009      1.54872132     -2.86928042
+H      1.89256589      2.79011983      0.31994706
+H      3.73594254      4.29525025      0.89854798 
+
+16
+-1639.9327418027972 10.724832 11.77639 -9.328 -7.3452 -10.611 0.7821 -0.1474 0.678 9.63598 0.03 4.414645516 6.457438852 0.130357204
+C      2.18289705     -0.58809351     -1.38625824
+C      2.35085770      0.07594560     -0.01747826
+C      3.28782968      1.27786560     -0.04343924
+C      2.75638224      2.61404081     -0.64941586
+N      2.96505003      3.22323727      0.67350102
+C      3.42063641      2.07349045      1.28679508
+O      3.76600571      1.82219649      2.42468943
+H      1.49862327     -1.44642994     -1.32913243
+H      3.14716522     -0.95354532     -1.77066571
+H      1.77309836      0.11328102     -2.12898390
+H      2.74832327     -0.65081860      0.70867594
+H      1.36863711      0.39283390      0.37276631
+H      4.27679013      0.99922182     -0.44031563
+H      1.70098657      2.58122903     -0.96207478
+H      3.37227917      3.05365158     -1.44787996
+H      2.79046807      4.16012379      1.03436623 
+
+14
+-1508.4263158930419 10.385858 11.18131 -9.0085 -6.9162 -8.514 1.2001 -0.2815 0.244 8.10981 0.39279 4.3528880894 9.5012579562 0.322109031
+C      0.94517227     -0.16908082     -0.12800566
+C      2.44240945      0.06645105      0.12926557
+C      2.84490862      1.49721757      0.07036662
+C      3.32719534      2.40589887      0.96768512
+N      3.51986910      3.63789056      0.34545242
+C      3.15186918      3.42998786     -0.88289823
+O      2.72493229      2.15521571     -1.14412136
+H      0.70888041     -1.24070361     -0.07283399
+H      0.65570278      0.19247034     -1.12403930
+H      0.33164544      0.35785055      0.61606363
+H      3.03775386     -0.50817663     -0.60006958
+H      2.72080066     -0.31024867      1.12470211
+H      3.55176900      2.25722129      2.01964699
+H      3.13940161      4.12536591     -1.71633434 
+
+12
+-1366.3675909251017 11.191204 10.83419 -8.619 -6.651 -8.112 0.2117 -1.378 -0.295 7.67803 0.91777 3.9392459962 3.9392459962 0.34046797
+C      2.79858428     -1.12843606      0.42927956
+C      2.24034622      0.06849805      0.17072745
+C      2.93855194      1.32436155      0.07134388
+C      2.53105090      2.61221515     -0.18075126
+N      3.62263166      3.46812669     -0.16598797
+C      4.63182403      2.68627878      0.08895655
+O      4.31274223      1.36756020      0.24857703
+H      2.18607143     -2.02708688      0.48519810
+H      3.87159641     -1.23651121      0.58938063
+H      1.16116240      0.14531700      0.01448308
+H      1.52361631      2.97058098     -0.37049400
+H      5.68114218      2.94636576      0.18936697 
+
+10
+-1205.620380226862 10.651735 10.58137 -9.0198 -7.0052 -8.326 0.2994 -1.3465 -0.292 7.9533 0.88876 3.9404982548 3.9404982548 0.27886157
+C      0.95462076     -0.05818972     -0.00160230
+C      2.17025016     -0.01176800      0.00056745
+C      3.56909067      0.08167860      0.00297541
+C      4.45656312      1.13133817      0.00071196
+N      5.75270459      0.64774033      0.00528941
+C      5.61235465     -0.64783625      0.00971228
+O      4.32331551     -1.08839667      0.00900144
+H     -0.11530506     -0.10161747     -0.00350370
+H      4.23131766      2.19291292     -0.00371790
+H      6.38501794     -1.41067192      0.01419596 
+
+18
+-1743.5839506212878 11.066618 12.37844 -9.3823 -7.1042 -10.696 0.9083 -0.0335 2.649 10.02218 -2.32009 8.4426158938 11.0572326618 0.291866783
+C      2.44373419     -1.58531034     -0.39621093
+C      1.88071485     -0.18085327     -0.15426046
+C      2.94142478      0.84054475      0.21151937
+C      3.66839016      0.66460385      1.53331058
+N      2.70844594      0.64412718      2.64566072
+C      3.59978838      1.62333790     -0.85087228
+O      2.56372988      2.22660339     -0.05192393
+H      1.64731263     -2.26951916     -0.72069140
+H      2.88398987     -2.00737738      0.51863302
+H      3.22019217     -1.58148753     -1.17653920
+H      1.14206560     -0.21326830      0.66116656
+H      1.36140066      0.18438672     -1.05315038
+H      4.43454140      1.46110857      1.60483742
+H      4.20207046     -0.30022374      1.52326078
+H      2.28001776      1.56991853      2.73281908
+H      3.19763965      0.46806792      3.52508420
+H      3.32972523      1.43368452     -1.89629482
+H      4.60712638      2.02540638     -0.69036833 
+
+13
+-1351.8914137274492 9.936342 10.3337 -9.6313 -7.6536 -9.376 0.524 -1.2974 -0.933 8.74931 1.59781 3.9977673882 10.7114357078 0.303648369
+C      0.93004494     -0.18892955     -0.10713744
+C      2.42806301      0.07037358      0.11563775
+C      2.79701732      1.51370293     -0.00412676
+C      3.32005003      2.38726498      0.92451016
+N      3.46395766      3.60332563      0.30084441
+N      3.09992825      3.59917192     -0.88547342
+O      2.61313238      2.13242066     -1.16056703
+H      0.71339517     -1.26069500     -0.00779247
+H      0.62123742      0.13405601     -1.10950386
+H      0.32183218      0.35381811      0.62921805
+H      3.01688213     -0.49791743     -0.62209868
+H      2.73670950     -0.27957375      1.11106024
+H      3.59391999      2.22858191      1.96097905 
+
+11
+-1208.634059886145 10.509422 9.95932 -9.3516 -7.4505 -8.928 -0.4634 -2.1798 -1.306 8.30521 2.04921 3.7000894008 3.7000894008 0.342586841
+C      2.77012869     -1.14094717      0.43168000
+C      2.23634589      0.06176278      0.16010817
+C      2.99000863      1.29952972      0.09796828
+C      2.55168789      2.58350608     -0.16949770
+N      3.64670763      3.40674385     -0.11210731
+N      4.70080878      2.79411569      0.15631182
+O      4.30438709      1.31656762      0.31418599
+H      2.14643985     -2.03345835      0.46300730
+H      3.83639701     -1.25791199      0.62718114
+H      1.16615833      0.16300330     -0.03373593
+H      1.55658021      2.95159847     -0.39094176 
+
+9
+-1047.2079226930819 10.000551 9.69455 -9.8723 -7.8485 -9.19 -0.5227 -2.2697 -1.39 8.61086 2.03917 3.7581024502 11.3052790534 0.480071359
+C      0.94993164     -0.03747098     -0.00141144
+C      2.16436433     -0.00791623      0.00018498
+C      3.56985710      0.04313169      0.00231427
+C      4.44037273      1.11368682      0.00065675
+N      5.70912210      0.59549159      0.00418046
+N      5.71109329     -0.65993016      0.00787022
+O      4.27771435     -1.09971432      0.00675033
+H     -0.12094889     -0.06773193     -0.00277500
+H      4.23747337      2.17768352     -0.00273057 
+
+14
+-1482.1350113777044 10.265334 11.03527 -9.4545 -7.4327 -9.322 1.0873 -0.6138 -0.209 8.73374 0.75194 4.7640628612 6.7475908892 0.349897874
+C      0.93405624     -0.15293539     -0.12528046
+C      2.44175411      0.01121957      0.12032379
+C      2.90117204      1.43906964      0.06603933
+C      3.34612232      2.24515439      1.07750198
+O      3.65054972      3.48238050      0.61982957
+N      3.40000070      3.51910175     -0.76680222
+C      2.96122641      2.31183474     -1.06378356
+H      0.64621025     -1.21300274     -0.08867534
+H      0.64443596      0.24077110     -1.11018000
+H      0.35134369      0.38808172      0.63347389
+H      3.00058136     -0.57671279     -0.62604988
+H      2.70551655     -0.41303811      1.10103943
+H      3.50119342      2.08475879      2.14074614
+H      2.70124723      2.09678683     -2.09891268 
+
+12
+-1339.5997471589967 10.744322 10.67134 -8.9831 -7.0052 -8.811 0.5336 -1.0687 -0.449 8.34035 0.99968 4.4846728088 11.4979532974 0.55004822
+C      2.66774808     -1.19087335      0.38586769
+C      2.19393952      0.04729424      0.16519669
+C      2.99018213      1.26041004      0.06821235
+C      2.54486503      2.54087784     -0.15639199
+O      3.57006835      3.41669756     -0.18356507
+N      4.77398157      2.70356667      0.03203706
+C      4.40714887      1.44928761      0.17600185
+H      1.99331993     -2.04430911      0.44324819
+H      3.73224217     -1.39417622      0.51530949
+H      1.11522599      0.18322029      0.04386038
+H      1.55569502      2.96296789     -0.31034154
+H      5.18018334      0.70507653      0.35522492 
+
+10
+-1181.750613558326 10.252 10.47936 -9.3516 -7.345 -9.005 0.4145 -1.2488 -0.513 8.58776 1.1171 4.1409588196 6.4463545036 0.446037992
+C      0.90380130      0.00860559     -0.00190244
+C      2.11914003      0.03272854     -0.00061880
+C      3.53088892      0.03163146      0.00085594
+C      4.39808419      1.09986291      0.00197704
+O      5.67436263      0.67537568      0.00332512
+N      5.68686598     -0.73986157      0.00287804
+C      4.42171645     -1.09342297      0.00161391
+H     -0.16670264     -0.00817832     -0.00303179
+H      4.24326553      2.17428152      0.00201764
+H      4.16239761     -2.14938284      0.00113535 
+
+13
+-1341.1109189325914 9.594801 10.27492 -10.619 -8.6641 -10.815 0.3853 -1.4738 -1.012 10.08474 1.31706 4.7948237878 10.0642411864 0.217129343
+C      0.93699540     -0.08904918      0.01113927
+C      2.46854629      0.04243878     -0.00311595
+C      2.92423864      1.46993564     -0.01486298
+N      3.12258550      2.13813862     -1.13408871
+O      3.49547311      3.41512764     -0.75141290
+N      3.53037438      3.53451961      0.62605101
+C      3.18196956      2.35201655      1.07756589
+H      0.64392562     -1.14762219      0.02424680
+H      0.50103338      0.37821769     -0.88209602
+H      0.49984410      0.39613217      0.89526125
+H      2.87900064     -0.45915859     -0.89080557
+H      2.89854437     -0.45763245      0.87786990
+H      3.13401903      2.16223572      2.14631801 
+
+11
+-1196.1620234867046 9.900631 9.92856 -9.7462 -7.7587 -9.836 -0.3441 -2.0934 -1.251 9.20682 1.7071 4.7012887494 5.9707442076 0.526394167
+C      1.05534744     -0.15701753     -0.39496571
+C      2.36705948     -0.01365523     -0.15201023
+C      3.07367715      1.26301756     -0.09687088
+N      2.50109848      2.44325347     -0.28268915
+O      3.50608796      3.37369563     -0.14784470
+N      4.72525822      2.77015800      0.12609173
+C      4.46325948      1.48586653      0.15765420
+H      0.59942296     -1.14605064     -0.42024739
+H      0.41129866      0.70470318     -0.57361384
+H      2.98823243     -0.89539376      0.02342443
+H      5.25129775      0.76474279      0.35584153 
+
+9
+-1036.0819609507032 9.541505 9.66623 -10.2806 -8.2224 -10.118 -0.3574 -2.1553 -1.374 9.57404 1.75672 3.918763509 6.7275299544 0.368862761
+C      0.96003163      0.02029759     -0.00052547
+C      2.17334870      0.05348668      0.00007396
+C      3.58645810      0.02968807      0.00063043
+N      4.33486281      1.12797665      0.00298349
+O      5.63340803      0.68125707      0.00262446
+N      5.70221498     -0.70584082      0.00001438
+C      4.45641281     -1.10769982     -0.00154794
+H     -0.11092671      0.00483114     -0.00102717
+H      4.20222965     -2.16294656     -0.00377614 
+
+14
+-1507.659534975244 10.289945 11.16254 -9.1152 -7.0145 -8.64 1.4148 -0.2555 0.19 8.12425 0.41018 4.39840335 7.2525982658 0.318653883
+C      0.94482817     -0.12836469     -0.13297022
+C      2.44503568      0.03715678      0.14960713
+C      2.89600555      1.46218120      0.08827932
+C      3.40750333      2.26119548      1.06823390
+O      3.66782275      3.50627729      0.53183951
+C      3.28532808      3.37962233     -0.77372376
+N      2.82457201      2.20824052     -1.09475600
+H      0.66178579     -1.19018457     -0.12487794
+H      0.68992179      0.28932213     -1.11640701
+H      0.34146049      0.39364166      0.62357314
+H      3.02172505     -0.54194352     -0.59024147
+H      2.69577986     -0.37480117      1.13897016
+H      3.64222966      2.12990542      2.11789917
+H      3.40541179      4.25732114     -1.40136595 
+
+12
+-1365.052318051964 10.7944 10.7985 -8.6816 -6.6786 -8.287 0.7464 -0.844 -0.036 7.77342 0.74831 4.239763263 11.2836310978 0.470146216
+C      2.66987186     -1.12221337      0.40701181
+C      2.16603112      0.09771402      0.15772247
+C      2.96013197      1.31195932      0.07654032
+C      2.53554636      2.59145628     -0.17152216
+O      3.62742620      3.42810953     -0.15727229
+C      4.67590918      2.58446263      0.10539354
+N      4.35190023      1.33876061      0.25179868
+H      2.02259778     -1.99712239      0.45571845
+H      3.73949003     -1.26371534      0.56619100
+H      1.09132781      0.22438750      0.00004609
+H      1.57401056      3.05215636     -0.36489901
+H      5.65922692      3.04138484      0.16323112 
+
+10
+-1204.6297715467774 10.246958 10.57505 -9.0856 -7.0586 -8.503 0.6782 -0.9731 -0.097 8.04275 0.7865 4.1576349366 10.8765106682 0.377344635
+C      0.94389142     -0.01430423     -0.00188624
+C      2.15892958     -0.01014744      0.00077001
+C      3.57328167      0.00932525      0.00337058
+C      4.40554223      1.09995551      0.00092018
+O      5.70045598      0.65348380      0.00496082
+C      5.57957759     -0.71354027      0.00976107
+N      4.36099967     -1.15443353      0.00907763
+H     -0.12672019     -0.02401120     -0.00411821
+H      4.24935728      2.17154880     -0.00328591
+H      6.50533478     -1.28036671      0.01354008 
+
+18
+-1740.940580681226 11.060313 12.26828 -9.5203 -7.4065 -10.99 0.8633 -0.1969 2.59 10.32467 -2.25586 8.477604743 11.3643583824 0.142699764
+C      0.55060522      0.54859796      0.38525483
+C      1.84977306      0.20258409     -0.35058289
+C      3.06741158      1.01938491      0.06496050
+C      3.66163602      0.77851053      1.44057707
+O      2.80179591      1.11717767      2.53765550
+C      4.02986575      1.45134834     -0.98999500
+N      3.05633511      2.42293862     -0.44306897
+H     -0.29380839     -0.00683195     -0.04710063
+H      0.33031821      1.62147636      0.28462496
+H      0.61063277      0.30619512      1.45348116
+H      1.70127958      0.35863695     -1.43033859
+H      2.08786114     -0.86699401     -0.21851565
+H      4.62261431      1.32570650      1.51706433
+H      3.88194803     -0.29247620      1.57285756
+H      2.50278944      2.03497164      2.40766227
+H      3.84791493      1.15690399     -2.02651956
+H      5.08441208      1.55668608     -0.71993275
+H      3.54759526      3.03612339      0.21925586 
+
+14
+-1454.4136632678883 10.412654 10.78314 -9.2905 -7.2245 -9.891 1.2488 -0.4604 0.413 9.90793 0.18545 5.4168615498 6.6625488918 0.409261773
+C      0.84498722      0.52012824      0.01722795
+C      2.12977964      0.15212935     -0.03011000
+C      3.31497768      1.09639707     -0.01325208
+C      3.90392535      1.36041656      1.39035224
+O      3.41621514      2.68703363      1.77079778
+N      2.98383000      3.34937768      0.61222212
+C      2.95663528      2.52110723     -0.37009961
+H      0.04748555     -0.22340853      0.03033379
+H      0.54867056      1.57095009      0.05262524
+H      2.38402158     -0.91264080     -0.05656094
+H      4.09361816      0.70204967     -0.68512155
+H      5.00455511      1.40084121      1.37060558
+H      3.56307262      0.65273001      2.15628594
+H      2.62153609      2.86754858     -1.34697646 
+
+12
+-1296.965744216727 10.10857 10.69509 -9.4844 -7.4509 -10.092 1.1653 -0.6426 0.23 9.689 0.35266 4.3492181038 11.0099939958 0.407179638
+C      0.95855842      0.00242846     -0.07511896
+C      2.17150011     -0.00043621     -0.04316197
+C      3.63083249     -0.00268074      0.01127492
+C      4.26722757     -1.25734181      0.65646421
+O      4.79202392     -0.81423460      1.95051837
+N      4.76665384      0.58170126      2.00213732
+C      4.17053173      1.05227326      0.96855207
+H     -0.11199411      0.00427002     -0.10482754
+H      4.02591964      0.15833050     -1.00517548
+H      5.11279572     -1.63140279      0.06070607
+H      3.54590424     -2.06119090      0.84342161
+H      4.03566643      2.12691355      0.86168940 
+
+14
+-1463.4021369895634 11.319844 11.24804 -8.4578 -6.4626 -8.912 0.2254 -1.3975 -0.455 8.42249 0.96715 4.6822940942 4.6822940942 0.438409491
+C      0.95157427     -0.05763432     -0.10487791
+C      2.41116682      0.05546945      0.20473519
+C      3.15936352      1.17541156      0.11011463
+C      4.62959602      1.33878625      0.41122598
+O      4.91153694      2.74804669      0.12956115
+N      3.73590670      3.37695872     -0.28967316
+C      2.76746087      2.51327635     -0.30129755
+H      0.77413487     -0.81069139     -0.88963385
+H      0.51432168      0.89009745     -0.44327414
+H      0.38656434     -0.39353392      0.78004064
+H      2.90276599     -0.86437954      0.53812629
+H      5.28183366      0.73155907     -0.23491611
+H      4.88469700      1.15154490      1.46577226
+H      1.77970734      2.85141871     -0.60789343 
+
+16
+-1600.4980243784153 10.614176 11.42439 -9.1298 -7.0313 -10.311 1.1005 -0.4245 0.459 9.89356 0.14207 5.4187213398 9.4854373426 0.14949344
+C      2.36513454     -0.48961659     -1.61890912
+C      2.46353011      0.01756372     -0.17938372
+C      3.37998925      1.24364491     -0.01245889
+C      3.50949893      1.74273907      1.43719585
+O      3.29623845      3.19357324      1.39147423
+N      2.84504534      3.54414598      0.11061345
+C      2.87684515      2.51340784     -0.65562200
+H      1.74009160     -1.39153223     -1.67521142
+H      3.35744652     -0.74670363     -2.01988637
+H      1.91856968      0.26080078     -2.28735818
+H      2.84871781     -0.78905900      0.46616779
+H      1.46131788      0.27145798      0.20395414
+H      4.36938066      0.99578047     -0.44127525
+H      4.49724282      1.57038274      1.88396582
+H      2.73062568      1.30984432      2.08756120
+H      2.57726559      2.63211040     -1.69632753 
+
+13
+-1350.3213873450056 9.789309 10.36618 -9.6097 -7.613 -9.368 0.5075 -1.3711 -1.076 8.88139 1.70162 3.9211440402 11.8134728702 0.251369275
+C      0.94017602     -0.15510465     -0.10097659
+C      2.44666006      0.05014715      0.11639272
+C      2.85940506      1.48568666      0.06305867
+C      3.34745780      2.33550900      1.02347743
+O      3.56806902      3.54928370      0.53573897
+N      3.15382763      3.42686599     -0.93768525
+N      2.77752336      2.24906497     -1.09164771
+H      0.68775227     -1.22403293     -0.07648286
+H      0.62979489      0.24751685     -1.07458910
+H      0.35576660      0.35442417      0.67794548
+H      3.00964576     -0.50808694     -0.64862916
+H      2.75095829     -0.36220669      1.08982777
+H      3.57170325      2.16828272      2.07317964 
+
+11
+-1205.2090040253095 10.486424 10.05058 -8.8354 -6.9381 -8.718 0.1748 -1.6219 -1.166 8.29881 2.0856 3.4509891282 4.9036215028 0.511824529
+C      2.68726561     -1.12481366      0.40922582
+C      2.19048871      0.09629719      0.14893581
+C      2.96217894      1.32049152      0.08954069
+C      2.56823387      2.62554827     -0.16656181
+O      3.54562867      3.48915140     -0.13986300
+N      4.82930907      2.50944919      0.20912214
+N      4.33383193      1.39655411      0.29573449
+H      2.03544671     -1.99653190      0.43520918
+H      3.74969167     -1.27934599      0.60074509
+H      1.12054575      0.21825094     -0.03897590
+H      1.56482908      2.99048893     -0.37985251 
+
+9
+-1042.9933559531264 10.346299 9.87632 -9.0531 -7.0835 -8.757 -0.4234 -2.2553 -1.354 8.3638 2.23642 3.0920744554 8.5943623592 0.544316549
+C      0.96805560     -0.01383373     -0.00126574
+C      2.18446459     -0.01445099      0.00062826
+C      3.58776343      0.02284841      0.00252546
+C      4.46991318      1.12407487      0.00070066
+O      5.71655614      0.88847155      0.00325476
+N      5.59535676     -0.99655703      0.00822713
+N      4.41115285     -1.09388831      0.00678760
+H     -0.10260003     -0.01802060     -0.00292552
+H      4.10543750      2.15607584     -0.00264261 
+
+18
+-1745.3570926193452 11.178611 12.65704 -9.4767 -7.2465 -10.821 0.8194 -0.12 2.805 10.26193 -2.56816 8.51039904 11.6007872858 0.103921631
+C      2.63107001     -0.95692570     -0.69029754
+C      2.07268075      0.28196613      0.01797750
+C      3.15044259      1.22185367      0.50713069
+N      3.82819741      2.14648622     -0.44221198
+C      2.91547698      2.68521238      0.59814888
+C      3.62094197      3.55938475      1.62308480
+O      4.97754592      3.17206428      1.79190835
+H      1.82170000     -1.61510853     -1.03607461
+H      3.27334071     -1.54136874     -0.01501109
+H      3.23772889     -0.67926647     -1.56500648
+H      1.46108783     -0.03015201      0.88165639
+H      1.39253510      0.83037402     -0.65727085
+H      3.85555323      0.79162707      1.22746990
+H      3.35930846      2.12389676     -1.35365857
+H      1.93315270      3.04601842      0.27315341
+H      3.12363304      3.47811926      2.60337971
+H      3.54823850      4.61705914      1.29701893
+H      5.26041591      2.89366933      0.89201254 
+
+14
+-1467.430846998797 11.067833 11.65607 -9.4478 -7.3483 -9.834 0.5569 -1.2901 -0.204 9.97531 0.83354 3.66812581 6.1784331562 0.309062323
+C      1.82354909     -0.28571270     -1.29777110
+C      2.34417630      0.12935036     -0.13623586
+C      3.42876537      1.12966030      0.01514987
+N      3.89523035      1.98327457     -1.06900014
+C      3.07499900      2.60815962      0.00016460
+C      3.80540395      3.52433515      0.91432685
+O      3.26953800      4.38408004      1.59129012
+H      1.01867924     -1.02001029     -1.32304219
+H      2.18223192      0.07688981     -2.26426786
+H      1.97592764     -0.29550556      0.80309549
+H      4.22702033      0.83874570      0.70837317
+H      3.30144170      1.85966595     -1.89656295
+H      2.02800538      2.85478222     -0.19411010
+H      4.91230174      3.34838482      0.94276009 
+
+16
+-1613.058185251764 11.005043 12.23776 -9.4964 -7.366 -10.88 0.9503 -0.9672 -0.106 9.97689 0.73854 3.6798548856 9.9081676096 0.215525046
+C      1.07041602      0.22631948     -0.68789693
+C      2.41132093      0.94868528     -0.85877887
+C      2.64718152      1.99408146      0.20876562
+N      3.14255569      1.64445449      1.54134157
+C      4.05406172      2.36103324      0.60386330
+C      4.36058983      3.76768469      0.96888492
+O      5.32976440      4.38538707      0.56247885
+H      0.92272801     -0.51990574     -1.48052779
+H      0.23024487      0.93460373     -0.73415917
+H      1.01447295     -0.29279885      0.27994121
+H      2.44826601      1.43804769     -1.84623491
+H      3.24075949      0.22117265     -0.84155549
+H      1.90174645      2.79837366      0.23816401
+H      3.41740257      0.65517830      1.56075015
+H      4.86383482      1.81640708      0.11022819
+H      3.60318472      4.23392578      1.65102535 
+
+18
+-1744.289284754949 11.195313 12.50894 -8.7982 -6.6596 -10.295 0.9361 0.0025 2.795 9.70469 -2.53167 8.0909172062 11.8765321498 0.087538576
+C      2.33490727     -0.48464179     -1.54599470
+C      2.45860071      0.03122791     -0.10914087
+C      3.29710136      1.29074494      0.01270752
+N      2.75937673      2.55507240     -0.61569291
+C      3.22274925      3.32950022      0.58671006
+C      3.40472733      2.01541185      1.37936015
+O      4.52480636      1.81645438      2.22525339
+H      1.70451463     -1.38365696     -1.59332031
+H      3.32200040     -0.74438656     -1.95695905
+H      1.89295732      0.27411967     -2.20755103
+H      2.91230142     -0.74342471      0.53218956
+H      1.45536805      0.22986751      0.30967051
+H      4.30869890      1.10572613     -0.40160100
+H      1.73452155      2.50776039     -0.59575104
+H      4.18497529      3.82654465      0.37080840
+H      2.52072675      4.07967680      0.97754333
+H      2.52239901      1.79934033      2.00342409
+H      5.32503768      2.02172286      1.70787390 
+
+14
+-1471.9703033636868 10.628541 11.14985 -9.2156 -7.1235 -9.665 0.6631 -1.1094 0.111 9.27677 0.63364 3.6945224294 6.5383521156 0.311492262
+C      0.75872223      0.63868350      0.77968546
+C      2.02245557      0.30455488      0.49464766
+C      3.09825987      1.22285371     -0.00116867
+N      2.81346184      2.67428855     -0.18585270
+C      3.61200182      3.07058862      1.01303791
+C      4.11652604      1.62820179      1.10879848
+O      4.95687372      1.04715984      1.74557322
+H      0.05102272     -0.10577641      1.14398032
+H      0.37376841      1.65395616      0.65784160
+H      2.35188682     -0.73005014      0.63339609
+H      3.59483802      0.77117129     -0.87984454
+H      1.82173618      2.90280815     -0.10433140
+H      4.38310209      3.83310052      0.82102872
+H      3.03375466      3.36116954      1.90745786 
+
+18
+-1749.736796795269 11.177959 12.3686 -8.7966 -6.6643 -10.225 0.7397 -0.2463 2.826 9.81097 -2.46926 7.9914680356 10.7058563378 0.142609776
+C      2.74165612     -1.34171460     -0.31419823
+C      2.22131260     -0.01270886      0.24294844
+C      3.25003712      1.10553312      0.22879844
+N      4.40343053      0.99742172      1.11123708
+C      3.51974462      1.84266812     -1.07510874
+C      2.80703708      2.54998406      0.06071985
+O      3.47839945      3.53227342      0.79847103
+H      1.95939869     -2.11362690     -0.29650133
+H      3.59111906     -1.72126005      0.27362395
+H      3.07940319     -1.22737176     -1.35531310
+H      1.86443741     -0.15320263      1.27960838
+H      1.34098288      0.31111844     -0.33671075
+H      4.12155391      0.61958782      2.01996062
+H      5.11497344      0.37273004      0.72621083
+H      2.94930056      1.54046625     -1.95532290
+H      4.54417835      2.16444262     -1.27024956
+H      1.74057582      2.76431651     -0.04159011
+H      4.22784918      3.03665266      1.20806611 
+
+16
+-1617.5106936974028 10.685894 11.75336 -9.2976 -7.1594 -10.42 0.874 -0.9321 0.279 9.65942 0.49196 3.7190716574 12.0448555434 0.148848866
+C      2.45497255     -0.52771129     -1.51119557
+C      2.44558701      0.09766461     -0.11386083
+C      3.47004580      1.22156011      0.04711550
+N      3.21645147      2.51433382     -0.67822348
+C      2.97267792      3.26285994      0.59430082
+C      3.37527625      2.00250272      1.37047075
+O      3.53805752      1.72653081      2.53484891
+H      1.70922156     -1.33151747     -1.58583866
+H      3.44051353     -0.95747847     -1.74389164
+H      2.22365975      0.21082253     -2.29323431
+H      2.67034708     -0.66974765      0.64456460
+H      1.43956991      0.48539894      0.12345116
+H      4.48526628      0.83238764     -0.15418035
+H      2.38070227      2.46536569     -1.26508909
+H      3.62713785      4.13739026      0.73797159
+H      1.93028325      3.56619782      0.79240061 
+
+14
+-1509.5040042226071 10.391763 11.26858 -9.0434 -6.9428 -8.622 1.2222 -0.2441 0.35 8.20337 0.2993 4.5349491318 7.4177600164 0.224065298
+C      0.95821103     -0.12772154     -0.08934203
+C      2.47138581      0.07599232      0.09050770
+C      2.88467116      1.50559883      0.03610790
+N      3.32607595      2.26795839      0.99942496
+C      3.53542243      3.50978038      0.40458576
+C      3.20459184      3.43953479     -0.91222866
+O      2.78148493      2.15532316     -1.17565841
+H      0.70696877     -1.19558449     -0.03230593
+H      0.62118993      0.25049082     -1.06394469
+H      0.39754977      0.39900307      0.69509857
+H      3.01737490     -0.48455884     -0.68527397
+H      2.80037225     -0.30782382      1.06516661
+H      3.90935221      4.35966561      0.96717016
+H      3.20568901      4.13144131     -1.74606797 
+
+12
+-1366.5996946550447 11.179081 10.90889 -8.7184 -6.7321 -8.365 0.0983 -1.4881 -0.525 7.91547 1.13495 3.9351420596 6.3237323496 0.378989744
+C      2.89514691     -1.13568836      0.37592029
+C      2.30845452      0.04951913      0.13572347
+C      2.98973479      1.32173150      0.05687075
+N      2.45179874      2.49766597     -0.17516112
+C      3.51448526      3.38510140     -0.14980936
+C      4.66801600      2.70222706      0.09957555
+O      4.35679706      1.37265831      0.23644028
+H      2.30476125     -2.04979237      0.41876725
+H      3.97073448     -1.22021876      0.53405318
+H      1.23109949      0.12561678     -0.02162242
+H      3.37980911      4.45021314     -0.31188791
+H      5.71268238      2.97014621      0.20590002 
+
+10
+-1203.4816095576014 10.69752 10.67922 -9.0947 -7.0732 -8.546 0.1745 -1.4714 -0.46 8.13119 1.05159 3.92725655 8.0997326108 0.284063105
+C      0.98810836     -0.03397095      0.00196086
+C      2.20118608      0.02678188     -0.00098074
+C      3.60823792      0.09842445     -0.00441578
+N      4.37497533      1.16365675     -0.00807489
+C      5.66482900      0.66391116     -0.01026648
+C      5.62495397     -0.70018526     -0.00775200
+O      4.31329649     -1.09312544     -0.00398220
+H     -0.08162097     -0.08199138      0.00451846
+H      6.53176495      1.31734779     -0.01344483
+H      6.36666886     -1.49032899     -0.00811241 
+
+13
+-1369.6411200328057 9.564283 10.40924 -10.306 -8.2778 -10.165 0.8423 -0.9042 -0.27 9.51044 0.80343 5.0544380732 7.316227881 0.291245361
+C      0.94434883     -0.11526739     -0.00111254
+C      2.47254729      0.06650169      0.00797617
+C      2.87264092      1.50124329     -0.01734465
+N      3.11420675      2.30380182      0.99047793
+C      3.38125948      3.49277936      0.35125620
+N      3.32032633      3.46457689     -0.96053999
+O      2.97469175      2.11463274     -1.22265812
+H      0.69296231     -1.18386833      0.02244564
+H      0.49958523      0.32153044     -0.90521581
+H      0.48974487      0.36548328      0.87518935
+H      2.91974187     -0.43927411     -0.85980607
+H      2.90308891     -0.37566842      0.91634369
+H      3.63387545      4.41196874      0.87472819 
+
+11
+-1225.435515215459 10.078725 10.04175 -9.747 -7.784 -9.624 -0.3919 -2.0973 -1.008 9.00717 1.56162 4.625359723 6.4519462722 0.463833192
+C      2.89981280     -1.13047228      0.39067556
+C      2.30914505      0.04039925      0.10323498
+C      2.99103955      1.31916790      0.06545197
+N      2.46022148      2.49251127     -0.20995544
+C      3.54354469      3.32700140     -0.10194800
+N      4.68245645      2.75006748      0.21643253
+O      4.32177018      1.38853334      0.33277255
+H      2.32335098     -2.05454925      0.40048171
+H      3.96353750     -1.19548299      0.62130774
+H      1.24458895      0.10195742     -0.12707105
+H      3.49361238      4.40122645     -0.26339257 
+
+9
+-1061.3852451964317 9.67678 9.80002 -10.2251 -8.1838 -9.88 -0.4174 -2.1654 -1.012 9.28669 1.51914 4.0071283312 10.5806800722 0.320341419
+C      0.98316635     -0.03209945      0.00197624
+C      2.19442560      0.03985201     -0.00088777
+C      3.60230386      0.10644663     -0.00413197
+N      4.37539295      1.16998245     -0.00812337
+C      5.62532546      0.60567923     -0.00972192
+N      5.65968069     -0.71041466     -0.00672827
+O      4.30054149     -1.06786606     -0.00308721
+H     -0.08676959     -0.08885479      0.00446882
+H      6.54428320      1.18689465     -0.01298455 
+
+18
+-1742.861371506074 11.073509 12.15126 -9.2606 -7.0927 -10.428 0.8165 -0.1681 2.743 9.85702 -2.43982 8.0537710006 13.0437239552 0.086490863
+C      1.95117478     -0.62562353     -1.33876384
+C      2.39256530     -0.00520411     -0.01049962
+C      3.20941014      1.28533664     -0.14915517
+N      4.46108958      1.02427680     -0.84400773
+C      2.32896127      2.52330744     -0.51981531
+O      2.31526627      2.96738740      0.86516408
+C      3.37501763      2.02596905      1.19930854
+H      1.29643128     -1.49090694     -1.16463164
+H      2.80503512     -0.98870074     -1.93022700
+H      1.38922202      0.09157626     -1.95682342
+H      2.99940515     -0.72991667      0.55718445
+H      1.50592485      0.22372871      0.60239944
+H      4.96516741      1.89752079     -1.01574757
+H      4.29026538      0.59628066     -1.75655870
+H      1.31058625      2.34464391     -0.90309026
+H      2.84929527      3.24798978     -1.17473260
+H      4.35303923      2.53173426      1.30116887
+H      3.15382308      1.45917028      2.11832747 
+
+13
+-1368.7877148177524 9.504391 10.36852 -10.4043 -8.4145 -10.333 0.9008 -0.938 -0.371 9.60251 0.86994 4.9292618076 7.1705195338 0.225892886
+C      0.95903670     -0.05468160     -0.07956867
+C      2.47894091      0.05611074      0.10462163
+C      2.96071151      1.46896286      0.04460657
+N      3.53870129      2.05868740      1.07110159
+O      3.81916849      3.36577150      0.58646873
+C      3.36493726      3.38566275     -0.68009778
+N      2.82851698      2.27062152     -1.08194639
+H      0.65033319     -1.10865971     -0.07266360
+H      0.64717949      0.39018552     -1.03408289
+H      0.42645642      0.46282151      0.73048950
+H      2.99241622     -0.50903097     -0.68929598
+H      2.79119997     -0.37083131      1.06749480
+H      3.48953156      4.31392977     -1.23236750 
+
+11
+-1224.725447405519 9.836861 9.9579 -9.617 -7.6879 -9.604 0.2263 -1.5278 -0.668 8.9694 1.19154 4.883064624 5.918967654 0.321444093
+C      2.76069062     -1.09650466      0.38288413
+C      2.23791318      0.10431820      0.09365649
+C      3.03440329      1.32043889      0.02180302
+N      2.48117443      2.48895216     -0.26675449
+O      3.57337407      3.38628733     -0.23602604
+C      4.65373948      2.63683480      0.07015488
+N      4.40676125      1.37415858      0.24118920
+H      2.13204392     -1.98507452      0.42763706
+H      3.82726247     -1.21026067      0.57996069
+H      1.17240773      0.23201415     -0.10553189
+H      5.60633957      3.15623574      0.14146695 
+
+9
+-1060.9211642698012 9.391742 9.76105 -10.2143 -8.115 -9.891 -0.0047 -1.7718 -0.742 9.2688 1.23209 4.0183986586 6.6112558836 0.566550172
+C      0.98736106      0.00448003      0.00039111
+C      2.20009168      0.01060131      0.00056800
+C      3.61733973      0.00578305      0.00084932
+N      4.31977034      1.13306485      0.00183980
+O      5.65134132      0.67549821      0.00157870
+C      5.58670348     -0.67301659      0.00070171
+N      4.38071981     -1.15658696     -0.00001479
+H     -0.08364771     -0.00062845     -0.00057096
+H      6.53106028     -1.21148545      0.00042712 
+
+13
+-1375.2884736405017 9.562048 10.37633 -10.1101 -7.9986 -9.716 1.1148 -0.58 0.079 9.39617 0.48571 5.1376202806 9.7027600034 0.382744029
+C      0.95803987     -0.09234659     -0.07345539
+C      2.47848947      0.07253588      0.07878099
+C      2.92476499      1.48884975      0.01529888
+N      3.45279076      2.22183425      0.95337553
+N      3.67790126      3.49226685      0.39397997
+C      3.26518829      3.41534931     -0.83190297
+O      2.76998059      2.18465006     -1.16705964
+H      0.68511410     -1.15411480     -0.01195986
+H      0.61115312      0.29320238     -1.04152579
+H      0.42486957      0.44552003      0.72216517
+H      2.99945962     -0.49898411     -0.70595953
+H      2.81845603     -0.31676917      1.04757432
+H      3.26819232      4.18509615     -1.59675168 
+
+11
+-1231.4574903790476 10.140476 9.9917 -9.5746 -7.5339 -9.164 -0.1586 -1.825 -0.656 8.77502 1.22875 4.5135367496 4.5135367496 0.382990689
+C      2.89914611     -1.11966280      0.42410951
+C      2.31673647      0.04788522      0.10635700
+C      3.00275643      1.31577399      0.00999293
+N      2.48071895      2.47863054     -0.29561437
+N      3.52535440      3.40673512     -0.26388569
+C      4.58908865      2.73425284      0.05663210
+O      4.35885334      1.40267646      0.25033166
+H      2.31291761     -2.03600630      0.47656039
+H      3.96603481     -1.18976143      0.63786782
+H      1.24860722      0.11335092     -0.10690099
+H      5.60403601      3.09645544      0.18361965 
+
+9
+-1067.547548209732 9.703933 9.75675 -9.9722 -7.9127 -9.4 -0.0849 -1.8414 -0.613 9.0761 1.16842 4.0911536434 4.356434089 0.237804216
+C      0.99271342     -0.03490347     -0.00013208
+C      2.20511987      0.02063587      0.00028040
+C      3.61007465      0.09014862      0.00073457
+N      4.37904934      1.15280382      0.00190389
+N      5.69255983      0.68396603      0.00185415
+C      5.61476160     -0.61380592      0.00066956
+O      4.33754335     -1.08704852     -0.00011129
+H     -0.07761446     -0.07848313     -0.00047835
+H      6.42311238     -1.33773330      0.00024915 
+
+14
+-1464.0669042192574 11.39983 11.2507 -8.5769 -6.6486 -9.339 0.2976 -1.328 -0.455 8.79491 0.95744 5.1001145156 5.1554866632 0.357043612
+C      0.89467417      0.00866052     -0.03080810
+C      2.23511992      0.11474375     -0.11261163
+C      2.95868174      1.36647916     -0.09300462
+N      4.25705960      1.37217957     -0.15689277
+O      4.73890067      2.67224369     -0.10472882
+C      3.60528768      3.61358801     -0.14637691
+C      2.35970353      2.74971979      0.04945988
+H      0.40688272     -0.96529773     -0.04492284
+H      0.24862876      0.88444605      0.05272672
+H      2.85852747     -0.77885540     -0.19631958
+H      3.62911950      4.10967688     -1.12829013
+H      3.77287829      4.35536588      0.64438167
+H      1.58309329      2.94154479     -0.70365284
+H      1.90020267      2.86548505      1.04396998 
+
+12
+-1302.2419350490918 10.875306 11.09494 -8.8888 -6.9188 -9.553 0.328 -1.3728 -0.257 9.04865 0.80155 3.9237973406 11.372057913 0.358360503
+C      1.02387634     -0.02282351      0.08698722
+C      2.23798258     -0.05289032      0.01253723
+C      3.64516076      0.01970363     -0.06924662
+N      4.38590415     -1.04543490     -0.17109218
+O      5.72260305     -0.68644293     -0.21477801
+C      5.83652076      0.78130897     -0.31356015
+C      4.44161454      1.31037744      0.01302643
+H     -0.04491643     -0.02665194      0.15221427
+H      6.14879645      1.01513571     -1.34264959
+H      6.61812679      1.09033627      0.39098147
+H      4.08159156      2.05943234     -0.70370201
+H      4.35694947      1.73898922      1.02363193 
+
+16
+-1605.3954184137078 10.767344 11.65232 -8.8141 -6.7864 -10.005 0.9754 -0.2258 0.669 9.47423 0.00623999999999 5.4878931292 6.1370838252 0.160429627
+C      2.64166982     -0.49242585      1.44727015
+C      2.59095707      0.04062626      0.00619122
+C      3.00108140      1.47589478     -0.11106814
+N      4.04669172      1.81593939     -0.78287773
+O      4.23404879      3.21007920     -0.71705875
+C      3.04576359      3.80791951     -0.10148938
+C      2.31688487      2.64417194      0.56909765
+H      2.35401351     -1.55230728      1.47327649
+H      1.95434677      0.05413214      2.10887315
+H      3.65571864     -0.40487235      1.86179578
+H      1.56482975     -0.07048823     -0.38613209
+H      3.25069266     -0.55169928     -0.64360341
+H      2.44325586      4.26537122     -0.90363408
+H      3.39142940      4.58875030      0.58764101
+H      1.23180850      2.65559572      0.39326708
+H      2.47672766      2.59980253      1.65941105 
+
+12
+-1269.2734864032814 10.117262 10.08235 -8.6457 -6.6669 -9.543 0.2491 -1.477 -0.576 9.0102 1.06914 5.1352149522 5.1352149522 0.474109045
+C      0.95381723      0.10293827     -0.29711455
+C      2.28184208      0.14711226     -0.09532382
+C      3.05840193      1.36472332     -0.11636562
+N      4.33734760      1.41263456      0.07766049
+O      4.70802307      2.77399142     -0.02331392
+C      3.50776666      3.53472125     -0.29963434
+O      2.44643318      2.57225171     -0.35279175
+H      0.41782787     -0.84472445     -0.26994746
+H      0.37819072      1.00777948     -0.49260891
+H      2.86561319     -0.75303887      0.10091878
+H      3.60155225      4.04261808     -1.27465245
+H      3.32175422      4.25221297      0.51767356 
+
+10
+-1104.4701757064524 9.536483 9.86662 -9.0763 -7.0624 -9.887 0.2462 -1.5702 -0.515 9.38448 1.00381 4.086702546 11.2233491046 0.405873474
+C      1.09233184      0.04762382      0.02040375
+C      2.30428508     -0.00004321     -0.02525298
+C      3.71282149     -0.02426950     -0.07574345
+N      4.43593336     -1.10035134     -0.11147911
+O      5.78269055     -0.65111313     -0.07404381
+C      5.74829092      0.76122697     -0.34523172
+O      4.40516349      1.16773145     -0.03934942
+H      0.02251403      0.07904492      0.06274380
+H      5.95444213      0.95403144     -1.41581173
+H      6.45558711      1.27974857      0.31562466 
+
+14
+-1413.0423449626066 9.540127 10.48832 -8.9334 -6.8356 -10.282 1.0592 -0.1737 0.407 9.77979 0.19608 5.950646077 10.0155022898 0.15127336
+C      0.99943273     -0.03408637     -0.08762896
+C      2.51771781      0.13053165      0.08285991
+C      2.94958471      1.55428252      0.03726515
+N      3.49079355      2.20160777      1.00949153
+O      3.62267443      3.56083140      0.53804404
+C      3.44219125      3.49526990     -0.87498241
+O      2.70931725      2.27594095     -1.10781546
+H      0.73016783     -1.09790688     -0.05196677
+H      0.66125321      0.37309625     -1.04952007
+H      0.45752000      0.48466733      0.71487430
+H      3.04641898     -0.41987451     -0.71196893
+H      2.85101340     -0.27578583      1.04681635
+H      4.41748526      3.42660405     -1.39915730
+H      2.85208960      4.35727177     -1.21514140 
+
+18
+-1744.7789061424448 11.298881 12.94265 -9.4186 -7.0953 -10.697 0.9217 0.0066 2.758 10.03926 -2.50263 8.5392133864 10.734273929 0.152495069
+C      1.49747570     -0.35158085      1.20914196
+C      2.14811160      0.26973450     -0.03095618
+C      3.18579874      1.30629939      0.32828086
+O      3.62788369      2.19238020     -0.72434880
+C      2.87809484      2.74543057      0.39150374
+C      3.63146568      3.70151168      1.27953180
+N      3.69462988      5.02405489      0.64179028
+H      0.76310334     -1.11771724      0.92534904
+H      0.97565168      0.40802244      1.80985387
+H      2.24604481     -0.83340907      1.85604306
+H      1.38839975      0.73855490     -0.67522125
+H      2.63218938     -0.51603213     -0.63438080
+H      4.00645084      0.94338264      0.96500959
+H      1.86554590      3.06940907      0.11634791
+H      4.61715876      3.25402971      1.51749174
+H      3.07748826      3.80485354      2.22806034
+H      4.25528000      4.95603401     -0.21207731
+H      4.17758716      5.68541174      1.25302017 
+
+12
+-1330.2317644677987 10.339126 11.25045 -10.3025 -8.0878 -9.971 0.6518 -1.1273 0.596 9.48991 -0.10238 5.330964049 6.5271437812 0.510190278
+C      1.76733103     -0.27206027     -1.17835576
+C      2.23109286      0.08647646      0.02406457
+C      3.29346492      1.09836409      0.23399825
+O      3.82594812      1.77313990     -0.91662490
+C      3.03745998      2.55347980     -0.00207628
+C      3.73154707      3.56028019      0.76973891
+N      4.26550092      4.37756801      1.40945928
+H      0.98748261     -1.02621854     -1.27901631
+H      2.16718006      0.17535757     -2.08979595
+H      1.84837056     -0.37999668      0.93661158
+H      4.04289766      0.86764221      1.00138900
+H      2.04845421      2.84833726     -0.36824241 
+
+10
+-1169.4798007499335 10.00264 11.07934 -10.7265 -8.4688 -10.371 0.8306 -1.0611 0.767 10.00298 -0.44913 4.3767553944 10.2985499292 0.177809517
+C      0.98315827     -0.00533975     -0.09038680
+C      2.19433158      0.04226762     -0.04481068
+C      3.62494468      0.10557944      0.04795461
+O      4.40292411     -0.58792986     -0.95829194
+C      4.42259519      0.84599744     -0.97669036
+C      5.65830580      1.49677637     -0.59943064
+N      6.64373897      2.04632838     -0.30195482
+H     -0.08601100     -0.05396796     -0.13911627
+H      4.04881574      0.04549170      1.05607263
+H      3.88661665      1.31493662     -1.80811573 
+
+14
+-1476.5205990128943 10.302495 11.8261 -10.8697 -8.7572 -11.621 1.4512 -0.4419 1.014 11.2568 -0.65368 5.33945709 10.7819961404 0.205552129
+C      1.01731404      0.18488799      0.15390943
+C      2.49836272      0.02984213     -0.20610101
+C      3.27618662      1.29581972      0.04273123
+O      3.64396087      1.59272152      1.40740120
+C      4.69545326      1.27073561      0.47577748
+C      5.60005908      2.34040713      0.11420508
+N      6.34668051      3.18330142     -0.19266710
+H      0.46965593     -0.74702922     -0.03979885
+H      0.54368583      0.98136725     -0.43865063
+H      0.89724448      0.43574125      1.21689678
+H      2.60620528     -0.23273428     -1.27183862
+H      2.95010002     -0.78809221      0.37657159
+H      2.95507410      2.18293490     -0.51891031
+H      5.18162726      0.30181678      0.63506371 
+
+18
+-1745.7759149594447 11.282807 12.61684 -9.2124 -7.0196 -10.363 0.8597 -0.0951 2.821 9.8276 -2.53278 8.1800879374 8.1800879374 0.090264333
+C      2.38773002     -0.57428650     -1.53934513
+C      2.50356100     -0.06408594     -0.10076792
+C      3.39831967      1.15083104      0.03061108
+O      2.88291350      2.32802835     -0.67335720
+C      3.20888701      3.17723365      0.46393792
+C      3.43628256      1.95139651      1.36653321
+N      4.58758794      1.98659302      2.24587273
+H      1.72494327     -1.44896985     -1.59923487
+H      3.37046386     -0.86888001     -1.93758709
+H      1.97963550      0.20756750     -2.19419429
+H      2.91203648     -0.85507527      0.55313695
+H      1.50521824      0.19391867      0.29059795
+H      4.42467587      0.91790617     -0.32699297
+H      4.13582744      3.75523734      0.28913149
+H      2.38823181      3.86586342      0.71559324
+H      2.54332386      1.72910014      1.97120339
+H      5.45531540      2.04065257      1.70606599
+H      4.64073656      1.14308920      2.82005553 
+
+18
+-1747.2291527545076 11.318982 12.59316 -8.4534 -6.3416 -9.784 0.7428 -0.2867 2.768 9.39838 -2.40571 7.6864624756 10.0201269676 0.121537471
+C      2.97390324     -1.24521643     -0.50782226
+C      2.39731986     -0.00596282      0.18363643
+C      3.35952912      1.16293154      0.23714034
+O      4.55297208      0.92822709      0.97424904
+C      3.57876074      2.03429375     -0.97558100
+C      2.85009999      2.60531419      0.21912117
+N      3.46397291      3.67444662      0.97609725
+H      2.25226153     -2.07439366     -0.50435671
+H      3.88902292     -1.58393044     -0.00276193
+H      3.23361938     -1.02562316     -1.55411678
+H      2.08891053     -0.26056128      1.21523290
+H      1.47938441      0.32330204     -0.33143596
+H      4.29625611      0.81042824      1.90817374
+H      3.02091039      1.81973563     -1.88827882
+H      4.60122532      2.38291269     -1.13499973
+H      1.76881639      2.73398533      0.11144840
+H      4.46524923      3.48242534      1.07455251
+H      3.08192587      3.68885534      1.92682141 
+
+18
+-1745.6770793844053 11.135112 12.22783 -9.0321 -6.8492 -10.507 0.827 -0.1679 2.815 9.78361 -2.49981 8.2586702642 10.097357847 0.121066348
+C      2.04748545     -0.56729196     -1.38466598
+C      2.41778238      0.05172319     -0.03583281
+C      3.36268577      1.24643040     -0.13705875
+O      4.55318973      0.79725770     -0.76941439
+C      2.69357789      2.54927697     -0.67836360
+N      2.44200290      2.95518179      0.72952277
+C      3.50460182      2.02896908      1.20340425
+H      1.36652328     -1.41903959     -1.24690454
+H      2.94178422     -0.92482297     -1.91195788
+H      1.53863441      0.15899188     -2.03653645
+H      2.90574026     -0.70330930      0.60315254
+H      1.51511742      0.39016048      0.49627081
+H      5.15592604      1.55703699     -0.84667662
+H      1.79108861      2.45639564     -1.30298275
+H      3.43914303      3.17205623     -1.21224085
+H      2.60821766      3.94275980      0.93098505
+H      4.51177894      2.48454239      1.27951890
+H      3.27634019      1.49609126      2.14056030 
+
+12
+-1262.932290872873 9.179988 9.60509 -9.128 -7.0377 -10.076 1.2172 -0.5541 0.177 10.11353 0.33559 5.8690756876 6.8589799116 0.353523565
+C      1.72858463     -0.34786778     -1.24246823
+C      2.16228451      0.21436704     -0.11202576
+C      3.28895367      1.20333791     -0.02127122
+O      3.79159314      1.59391776     -1.32017514
+C      3.34361266      2.87500122     -1.46698097
+N      2.78704969      3.42860307     -0.45523378
+O      2.83341990      2.45108548      0.58551463
+H      0.89713940     -1.05299826     -1.23581170
+H      2.19451736     -0.12263467     -2.20288849
+H      1.70172257     -0.01855744      0.85219143
+H      4.13269763      0.82451321      0.58023915
+H      3.50060485      3.36170246     -2.42495992 
+
+10
+-1101.2123067853413 8.856449 9.41668 -9.4227 -7.3679 -10.477 1.287 -0.6273 0.073 10.26178 0.45481 4.476576523 10.949699604 0.539677301
+C      0.98940504     -0.00492989     -0.03990137
+C      2.20116273     -0.01096496     -0.01253440
+C      3.66188589      0.01171201      0.07065030
+O      4.24292227     -1.12235578     -0.63283097
+C      4.76628210     -0.55491177     -1.75834097
+N      4.78828887      0.72381846     -1.82381736
+O      4.23039471      1.17410635     -0.58152074
+H     -0.08127840      0.00228647     -0.07993718
+H      4.00604550     -0.01092419      1.11631085
+H      5.15412129     -1.21652672     -2.52737816 
+
+14
+-1411.4502002273166 9.394282 10.23383 -8.956 -6.8367 -10.398 1.2129 -0.0115 0.229 10.04282 0.27927 5.9418306724 10.6816170748 0.153808729
+C      0.99671285      0.20448234     -0.12029108
+C      2.50614325      0.07806764      0.09024399
+C      3.22635497      1.41099827      0.01155660
+O      2.84877935      2.28913035      1.11310974
+C      4.01708270      2.51851338      1.77034283
+N      5.08185855      1.97971206      1.30411521
+O      4.66080441      1.24892578      0.14834686
+H      0.51511912     -0.78141528     -0.07888628
+H      0.76521110      0.64728074     -1.10076103
+H      0.53956658      0.83714602      0.65293160
+H      2.95393940     -0.56937473     -0.68000447
+H      2.73821473     -0.37545336      1.06633086
+H      3.01049426      1.94861524     -0.93169189
+H      3.98753874      3.14280154      2.65881706 
+
+16
+-1597.1216574467435 12.749137 12.74253 -8.4984 -6.5335 -8.968 0.6237 -0.9374 -0.316 8.36448 0.89777 4.9121145438 4.9121145438 0.569327812
+C      0.94380472     -0.15093772     -0.17281575
+C      2.42054887      0.06447347     -0.11264727
+C      3.09188083      1.22769831      0.08337276
+C      2.45213555      2.57454592      0.28656942
+C      4.54791874      1.16625436      0.09776771
+N      5.25468328      2.23208254      0.27551454
+O      6.63573143      1.91975540      0.24845061
+H      0.62464263     -0.87065693      0.59889818
+H      0.65544845     -0.59313863     -1.14064567
+H      0.36366073      0.76950819     -0.03624323
+H      3.02837905     -0.83798582     -0.24549758
+H      1.35847048      2.52532318      0.25465386
+H      2.79508661      3.28154183     -0.48290980
+H      2.75667625      3.00115829      1.25354312
+H      5.03709395      0.19221844     -0.04677048
+H      7.04086842      2.79414914      0.39045958 
+
+16
+-1646.3850410413045 11.514499 12.2433 -9.2702 -7.2936 -9.499 0.7767 -0.8171 -0.165 8.96674 0.72094 4.1148597666 5.195695323 0.302060105
+C      0.83341355     -0.12708552      0.15183239
+C      2.32349714      0.01116241      0.16095871
+C      3.05083549      1.13194776     -0.03621755
+C      2.49487524      2.50845777     -0.27310098
+C      4.55351981      1.09256867      0.07439857
+N      5.16887300     -0.09585328     -0.26729090
+O      5.20066858      2.06110799      0.47708800
+H      0.52163868     -0.89055256     -0.57917851
+H      0.31196029      0.80586400     -0.09214689
+H      0.47167092     -0.47578907      1.13278947
+H      2.86747175     -0.90948838      0.39715067
+H      1.40592657      2.54860084     -0.16026449
+H      2.75207866      2.86604719     -1.28299600
+H      2.95832463      3.21249946      0.43207877
+H      4.70325109     -0.74400978     -0.89347563
+H      6.18435461     -0.07015750     -0.29345564 
+
+16
+-1598.6241135208277 12.659077 12.80745 -8.4634 -6.5188 -9.094 0.6585 -0.8947 -0.249 8.50329 0.81823 5.0802395598 5.0802395598 0.576245562
+C      0.84364560      0.14066933     -0.02163339
+C      2.32593483      0.01762899     -0.17540587
+C      3.21193252      0.96183440      0.19984759
+C      4.66334569      0.88092508      0.07596587
+C      5.35704419     -0.29973393     -0.54174964
+N      5.29051399      1.91431711      0.56074276
+O      6.69538849      1.77471783      0.44286675
+H      0.44149791     -0.66789145      0.61055137
+H      0.33532198      0.05179337     -0.99585460
+H      0.55890061      1.10179755      0.42789821
+H      2.68758332     -0.91455809     -0.62162819
+H      2.85023174      1.88865111      0.65690761
+H      4.70069090     -0.83051116     -1.24028208
+H      5.67432702     -1.00854758      0.23854335
+H      6.26082297      0.02474239     -1.07115213
+H      7.00133824      2.62028506      0.81548239 
+
+16
+-1590.8209615707528 12.269722 13.06884 -9.3527 -7.186 -9.331 1.1967 -0.477 0.32 8.79352 0.27924 5.5043212742 5.8000526814 0.350062618
+C      0.71411629      0.10999016      0.06386290
+C      2.19514707     -0.01092094      0.25102452
+C      3.10291330      0.87814602     -0.17425611
+C      4.59228824      0.74757764      0.02037340
+C      5.32305344      0.64715861     -1.28811129
+N      6.17196096      1.55145251     -1.61213716
+O      6.74175613      1.28256933     -2.88532000
+H      0.31531649     -0.74605975     -0.50391275
+H      0.44790043      1.03095396     -0.47298719
+H      0.19004393      0.11280722      1.03300417
+H      2.54728346     -0.90203276      0.78620535
+H      2.76789274      1.77146001     -0.71467412
+H      4.80469081     -0.15221262      0.62251721
+H      4.99162109      1.61724460      0.56604995
+H      5.10403790     -0.19351008     -1.96178197
+H      7.35469773      2.03245609     -2.98951693 
+
+16
+-1645.2182137689933 11.53845 12.44033 -9.0353 -7.0143 -9.467 0.7457 -0.1932 0.523 9.51614 0.13327 4.3145640168 11.81958538 0.36139713
+C      0.87822796     -0.27002702      0.05117041
+C      2.34361597     -0.05377862      0.27340406
+C      3.06720867      0.94893693     -0.24949583
+C      4.53405744      1.16190632     -0.01985275
+C      5.46126456      0.91177319     -1.22458653
+N      4.96755519      0.05001988     -2.16451127
+O      6.57263157      1.42805233     -1.30640655
+H      0.68055285     -1.26144915     -0.38753900
+H      0.45266393      0.49329059     -0.61530322
+H      0.32648222     -0.23818129      1.00430335
+H      2.84817738     -0.77308370      0.93148821
+H      2.56506766      1.67659931     -0.89976608
+H      4.89620120      0.50361995      0.78697474
+H      4.74414297      2.19348133      0.29872635
+H      4.04622201     -0.36244715     -2.05953251
+H      5.55001842     -0.18965290     -2.95966339 
+
+16
+-1593.686840732701 11.792156 12.28385 -8.7459 -6.7717 -9.415 0.8133 -0.7978 0.073 8.79351 0.49816 5.2538075612 6.7200412 0.379829041
+C      0.97584657      0.00730714     -0.15353451
+C      2.48043219     -0.03687313     -0.04541743
+C      3.16416963     -1.19544655     -0.04833218
+C      3.19312109      1.26394130      0.06029652
+C      2.64370605      2.38292492      0.90329297
+N      4.29358321      1.36051957     -0.61592587
+O      4.90758027      2.62793403     -0.41489909
+H      0.65776152      0.63017407     -1.00433122
+H      0.50981937      0.43593109      0.74689666
+H      0.56927355     -1.00221045     -0.29315576
+H      2.64893813     -2.15160373     -0.15506171
+H      4.24922201     -1.20666814      0.05016308
+H      1.81987189      2.04653413      1.54121524
+H      2.28728575      3.21071826      0.27075834
+H      3.44243548      2.79646732      1.53416839
+H      5.68769329      2.55148018     -0.99174343 
+
+16
+-1590.8560167266905 11.918864 12.44169 -9.5014 -7.3363 -9.47 1.1472 -0.5189 0.278 8.82793 0.3042 5.4962001912 5.9324945266 0.275046791
+C      0.84698997      0.07393535      0.23066147
+C      2.29938180     -0.28275618      0.06981665
+C      2.74609933     -1.54644465      0.12127146
+C      3.25127326      0.88091194     -0.15516250
+C      3.02617703      1.55789031     -1.47604425
+N      2.65423228      2.78443634     -1.50951527
+O      2.49085479      3.23058746     -2.84713166
+H      0.70292077      0.73576679      1.10040900
+H      0.22486569     -0.81961969      0.36675903
+H      0.47544840      0.63043462     -0.64389812
+H      2.06378297     -2.38286904      0.28526898
+H      3.80588746     -1.78357728      0.00769617
+H      4.28903899      0.51188927     -0.11547437
+H      3.12874706      1.63347982      0.64057355
+H      3.17157861      0.98437273     -2.40317170
+H      2.22452160      4.15843221     -2.71552844 
+
+16
+-1645.2733226958262 11.261512 11.9404 -9.1315 -7.12 -9.577 1.0347 -0.4047 0.434 9.58242 0.20044 4.3161014432 6.2206751864 0.237115292
+C      0.66200146     -0.84930506      1.06142678
+C      1.97132992     -0.82951389      0.31876320
+C      2.46285495     -1.91344016     -0.30600832
+C      2.69949183      0.49300619      0.30249231
+C      2.09370258      1.56744247     -0.62337325
+N      1.58118989      1.08525656     -1.79619026
+O      2.12149100      2.76288786     -0.34415901
+H      0.82443941     -0.63234149      2.12957367
+H      0.16000222     -1.82164220      0.97868080
+H     -0.02019459     -0.06959212      0.68685733
+H      1.92371288     -2.86293686     -0.30657597
+H      3.42630861     -1.88792077     -0.81963986
+H      3.74306942      0.35292370     -0.02109209
+H      2.72561178      0.94763712      1.30300612
+H      1.50815358      0.08600379     -1.95988479
+H      1.16324506      1.73992487     -2.44872666 
+
+16
+-1587.3055243143087 11.937044 12.47939 -9.5122 -7.4145 -9.77 1.0985 -0.5834 0.244 9.21863 0.31221 5.5169306504 6.0867455092 0.437908591
+C      0.97181556      0.01328679      0.19328362
+C      2.39715187      0.31154671     -0.29126725
+C      2.73221894     -0.26474788     -1.65184175
+C      1.90071193     -0.92822507     -2.46321435
+C      2.64515842      1.79906303     -0.31738490
+N      3.57410835      2.30105406      0.40858864
+O      3.64844241      3.70925413      0.24288603
+H      0.82009307      0.42309893      1.20055192
+H      0.79278632     -1.07036809      0.23175758
+H      0.21841361      0.46113239     -0.47182562
+H      3.11828511     -0.10644735      0.43302956
+H      3.76531073     -0.09403573     -1.97268000
+H      0.86054517     -1.12669886     -2.19899224
+H      2.24334019     -1.30516189     -3.42760982
+H      2.02237464      2.43008852     -0.96860407
+H      4.37415369      3.94124032      0.85011264 
+
+16
+-1641.938201942939 11.320771 12.01573 -9.1277 -7.1507 -9.829 1.188 -0.399 0.462 9.52611 0.19566 4.305475843 6.493642764 0.331113524
+C      0.88103686      0.00609116     -0.17991713
+C      2.41198453      0.01607295     -0.06980518
+C      3.06305169     -0.61592642     -1.26943410
+C      3.95353225     -1.61655020     -1.23155952
+C      2.91045181      1.45822163      0.22374873
+N      4.16401220      1.74259568     -0.23848466
+O      2.23786125      2.26570008      0.85947730
+H      0.44170482      0.53694223      0.67347858
+H      0.50561528     -1.02524725     -0.20420547
+H      0.55213064      0.51527648     -1.09800941
+H      2.70629692     -0.55931393      0.82747279
+H      2.75686581     -0.20937726     -2.24165041
+H      4.27289532     -2.05882519     -0.28383981
+H      4.38220904     -2.03506588     -2.14357981
+H      4.70868128      1.04594668     -0.73621140
+H      4.57069030      2.64372924     -0.01032051 
+
+16
+-1597.5324522864619 13.111878 12.89878 -8.3656 -6.4363 -8.88 0.5103 -1.0378 -0.298 8.24501 0.91325 4.838119699 4.838119699 0.609093328
+C      1.02291345      0.05002706     -0.13795673
+C      2.51761579     -0.05573077     -0.01583851
+C      3.06270927     -1.45523147     -0.08459443
+C      3.27308690      1.06034971      0.14149689
+C      4.70962903      1.11513685      0.27032177
+N      5.28554078      2.26547714      0.41466231
+O      6.68759885      2.10465693      0.52255915
+H      0.67875935      1.09091875     -0.08605348
+H      0.52218879     -0.52114973      0.66181415
+H      0.67490204     -0.38317878     -1.09074781
+H      2.60847268     -2.08190762      0.70047171
+H      4.15128938     -1.51082863      0.02628368
+H      2.79465805     -1.92338561     -1.04628579
+H      2.77260783      2.03236528      0.17779719
+H      5.31900937      0.20247866      0.24755625
+H      6.98725845      3.02605223      0.62410365 
+
+16
+-1648.1940496948648 11.905994 12.36067 -9.0957 -7.2032 -9.603 0.5858 -0.9669 -0.177 9.13169 0.81414 4.0336737338 5.1955589384 0.406954841
+C      0.98005512      0.05234821     -0.08226946
+C      2.47220927     -0.11419712      0.01448248
+C      2.97742386     -1.50561169     -0.23369435
+C      3.25171439      0.95270287      0.30663246
+C      4.73153482      0.97193520      0.44755419
+N      5.23206882      2.21834346      0.78215081
+O      5.49450999      0.01745364      0.26862754
+H      0.65903553      1.08563622      0.10287343
+H      0.47200066     -0.60707075      0.64006650
+H      0.62409163     -0.25108909     -1.08021639
+H      2.49413507     -2.20744478      0.46571803
+H      4.06432925     -1.57041860     -0.13344478
+H      2.68369809     -1.83048839     -1.24572777
+H      2.74994506      1.91398723      0.45996642
+H      4.62709612      2.95478442      1.12753811
+H      6.21830233      2.26076916      1.01989276 
+
+18
+-1733.3698611768118 11.829414 12.63629 -9.48 -7.3928 -10.528 1.5188 -0.1085 0.576 9.98574 0.06145 5.5211461744 6.6182858898 0.209778305
+C      0.96489098     -0.06716630     -0.04936972
+C      2.50607793     -0.02334523      0.05203481
+C      2.96974175     -0.74651155      1.32406228
+C      3.11652217     -0.70162015     -1.19451044
+C      2.92679057      1.42871108      0.04123243
+N      3.57589071      1.95114375      1.01258573
+O      3.84668935      3.32502327      0.76340461
+H      0.60632392      0.45762306     -0.94787277
+H      0.49914401      0.40157013      0.82939456
+H      0.61962981     -1.11056898     -0.10720941
+H      2.55104862     -0.27587829      2.22390268
+H      4.06411019     -0.72437379      1.41687061
+H      2.64304064     -1.79645919      1.29470330
+H      2.80804164     -0.19279003     -2.12038250
+H      2.78195136     -1.74821671     -1.25681783
+H      4.21508124     -0.69378487     -1.14937777
+H      2.65260201      2.03461288     -0.83693904
+H      4.33209309      3.57929090      1.56869846 
+
+18
+-1785.3696865846612 11.206029 12.19708 -9.1816 -7.2121 -10.672 0.6945 -0.2982 0.588 9.58816 0.08993 4.3591865782 6.7712722152 0.116161803
+C      1.02468755     -0.00507732     -0.13252112
+C      2.56230486     -0.07477465     -0.01937321
+C      2.94681190     -0.75443034      1.30220145
+C      3.14307549     -0.88175312     -1.19981383
+C      3.15462100      1.36048944     -0.02276627
+N      2.89811675      2.10732558     -1.14565405
+O      3.81274723      1.81832749      0.90886858
+H      0.69080032      0.42279854     -1.08943488
+H      0.59559691      0.60240899      0.67736331
+H      0.60014035     -1.01764331     -0.05846203
+H      2.55575461     -0.19651764      2.16297284
+H      4.03721510     -0.80988803      1.41650210
+H      2.53675528     -1.77478311      1.32680565
+H      2.84936089     -0.47072307     -2.17706742
+H      2.77873558     -1.91922139     -1.15587027
+H      4.24163991     -0.90624108     -1.15978736
+H      2.35901229      1.75841759     -1.92821414
+H      3.26852398      3.05099544     -1.18354933 
+
+18
+-1737.1701763000387 11.700602 12.61719 -9.1738 -7.1354 -10.212 0.8793 -0.0611 0.725 9.56807 -0.02181 5.6024189974 6.4335963442 0.191593581
+C      0.94463490     -0.11291619     -0.19027263
+C      2.46623594      0.04701262     -0.02950347
+C      3.23217142     -0.84779315     -1.01902756
+C      2.88685349      1.49769209     -0.15555331
+C      2.68378567      2.25830372     -1.43491387
+N      3.42088985      2.00875261      0.90093810
+O      3.78514101      3.37385141      0.68614959
+H      0.40164822      0.49664390      0.54555051
+H      0.65580615     -1.16399069     -0.04354788
+H      0.60819217      0.18444845     -1.19537318
+H      2.73965348     -0.25483478      0.99423538
+H      3.00384970     -0.58667815     -2.06380752
+H      2.95170122     -1.90129015     -0.87364788
+H      4.31824853     -0.76040638     -0.87507300
+H      2.18184564      1.65073119     -2.19656981
+H      3.65056666      2.60122870     -1.83300417
+H      2.08979828      3.16531247     -1.24984934
+H      4.15874766      3.60629233      1.55394005 
+
+18
+-1733.364941596115 11.919052 12.8762 -9.4866 -7.3746 -10.583 1.5223 -0.1786 0.509 10.07987 0.10567 5.5230307616 11.1874179618 0.19757194
+C      0.94007286     -0.07483063      0.03697581
+C      2.46780882     -0.04605393     -0.07945658
+C      2.94598149     -0.82634100     -1.30863940
+C      3.00688137      1.40333798     -0.12232707
+C      2.75214174      2.17347431      1.13325391
+N      2.06109948      3.25318445      1.10107362
+O      1.94396987      3.82065610      2.39961376
+H      0.58823410      0.47444560      0.92158352
+H      0.57148737     -1.10850039      0.10876281
+H      0.47415216      0.38824708     -0.84769698
+H      2.89124983     -0.53252842      0.81899843
+H      2.56156130     -0.37076366     -2.23531506
+H      2.59145067     -1.86703872     -1.27782354
+H      4.04413922     -0.84516279     -1.37377476
+H      2.56323252      1.94730247     -0.97152183
+H      4.09787327      1.36551326     -0.29184468
+H      3.16011057      1.80141925      2.08575564
+H      1.41040335      4.61538904      2.21961239 
+
+18
+-1787.1836007653042 11.36598 12.52625 -9.3388 -7.3454 -10.736 0.7 -0.2714 0.566 9.65789 0.08923 4.352218565 12.9932740518 0.129017157
+C      1.02833098     -0.23282442      0.42471954
+C      2.25379000     -0.50535920     -0.45511899
+C      1.95261486     -1.56939639     -1.51547976
+C      2.76415068      0.78517778     -1.11753170
+C      3.30987806      1.79734414     -0.11173427
+N      2.97772540      3.10665661     -0.35909053
+O      4.00360007      1.47329815      0.85007634
+H      1.25557884      0.49722255      1.21455241
+H      0.68400066     -1.15612274      0.91298446
+H      0.19094953      0.15835523     -0.17655003
+H      3.06828614     -0.86780766      0.19387929
+H      1.15279531     -1.23616987     -2.19707123
+H      1.61816316     -2.50668259     -1.04699174
+H      2.84050390     -1.79564408     -2.12492669
+H      1.96831084      1.23230818     -1.73808578
+H      3.59976698      0.54166472     -1.79590038
+H      2.47754716      3.38297691     -1.19561026
+H      3.40436742      3.82447268      0.21878930 
+
+14
+-1485.9259429477581 10.78213 11.61578 -9.3549 -7.365 -10.077 0.8336 -0.1991 0.474 9.63258 0.22495 4.293883152 10.7202759096 0.473958218
+C      0.95252758     -0.21379344      0.17501840
+C      2.44698405      0.05258239     -0.10438057
+C      2.92691582     -0.66705651     -1.27828061
+C      3.32377637     -1.24356084     -2.27200089
+C      2.70463064      1.58838929     -0.13754933
+N      3.35311501      2.05745569     -1.23691769
+O      2.33723353      2.29680688      0.79486356
+H      0.64613995      0.36645474      1.05348362
+H      0.78547676     -1.28135622      0.36352217
+H      0.33919385      0.08869767     -0.68421819
+H      3.02485817     -0.29438151      0.77088789
+H      3.66868655     -1.77549556     -3.13533552
+H      3.63463030      1.42613736     -1.98098892
+H      3.55517141      3.04981008     -1.29558393 
+
+16
+-1591.8791315146693 11.722727 12.2843 -9.2769 -7.2302 -9.653 1.2523 -0.3668 0.412 9.14354 0.19511 5.3932918112 6.2294161994 0.420436949
+C      1.09109474     -0.03493858     -0.12423388
+C      2.46339047      0.56388165     -0.04159037
+C      3.66340074     -0.34741551     -0.20078012
+C      4.05595181     -0.96505421      1.11767329
+C      4.02242183     -2.27510170      1.38629156
+N      2.52295372      1.83009745      0.19126070
+O      3.87049358      2.29211742      0.28351088
+H      0.32486087      0.72372144      0.07240064
+H      0.98868940     -0.85040337      0.60870909
+H      0.91846951     -0.47077328     -1.12116390
+H      4.50283591      0.24413010     -0.59629250
+H      3.42070859     -1.14043329     -0.92460641
+H      4.37477384     -0.25897207      1.89094198
+H      3.70879918     -3.00522751      0.63547468
+H      4.31708280     -2.66310711      2.36234796
+H      3.73150301      3.24638859      0.41126640 
+
+14
+-1435.1626008392902 11.164022 11.98366 -9.3686 -7.3378 -9.97 1.6242 -0.0697 0.529 9.66084 0.19893 4.3605380256 10.3339479322 0.377312686
+C      1.23451462      0.05605983     -0.53974250
+C      2.65244463      0.21403274     -0.08875243
+C      3.72175396     -0.79510244     -0.48024071
+C      3.27014969     -1.89925647     -1.31326160
+C      2.90435695     -2.82406292     -2.00870289
+N      2.92138668      1.23984621      0.64274660
+O      4.30160301      1.27109103      1.00120072
+H      0.62546348      0.88135007     -0.15412808
+H      0.82087966     -0.90152029     -0.18923099
+H      1.17790587      0.03973542     -1.63852731
+H      4.18200850     -1.18285419      0.44535614
+H      4.53835603     -0.24981776     -0.98498265
+H      2.58536651     -3.64218750     -2.62139475
+H      4.34004041      2.08155627      1.53809046 
+
+14
+-1441.7464598138154 12.25029 13.11232 -8.6165 -6.7166 -9.284 0.7381 -0.9225 -0.029 8.71341 0.63314 3.6796689066 10.7911463072 0.513050116
+C      0.96137730     -0.03881836      0.00014796
+C      2.41294611      0.00414066      0.00021049
+C      3.63037527      0.06949130      0.00081729
+C      5.05231018      0.03850930     -0.00109914
+C      5.76936914     -1.28779651     -0.00545552
+N      5.65608803      1.19248445      0.00082763
+O      7.05995839      1.00990722     -0.00222974
+H      0.53777273      0.97610283      0.01212546
+H      0.57969401     -0.57448535      0.88254498
+H      0.57923108     -0.55360782     -0.89440663
+H      5.05353253     -2.11548935     -0.00005443
+H      6.42743244     -1.36427980      0.87222868
+H      6.41447287     -1.36540708     -0.89269867
+H      7.37120991      1.93233850      0.00017166 
+
+14
+-1436.9657987974554 11.75967 13.17108 -9.5115 -7.3159 -9.501 1.4557 -0.3248 0.382 9.05309 0.2333 4.140574463 10.2596307238 0.513448432
+C      0.95192665     -0.03526579     -0.01701742
+C      2.40695615     -0.01096418     -0.00721516
+C      3.62238568      0.00035037      0.00887432
+C      5.08344704      0.04105415      0.01804576
+C      5.61825718      1.44907532     -0.01669670
+N      6.43749237      1.82164456      0.89373499
+O      6.84545000      3.16446124      0.69428831
+H      0.53948247      0.98468729     -0.00855089
+H      0.55812009     -0.56187445      0.86505716
+H      0.56694456     -0.54512557     -0.91271542
+H      5.46874433     -0.50863763     -0.86029062
+H      5.48558711     -0.46358414      0.91040917
+H      5.29314617      2.12718196     -0.81689534
+H      7.44226020      3.30508688      1.45133185 
+
+14
+-1493.0032822389314 11.148745 12.51045 -9.2346 -7.1707 -9.635 0.612 -0.3039 0.535 9.57224 0.15853 4.1175874586 10.268768492 0.528375155
+C      1.02170561     -0.00745138     -0.20401947
+C      2.47086639      0.01809034     -0.06578391
+C      3.68102050      0.01071962      0.06593279
+C      5.12987564      0.04202713      0.19961795
+C      5.86614742      1.25602739     -0.41359512
+N      5.06810402      2.17083430     -1.02920633
+O      7.08682203      1.35083131     -0.33060602
+H      0.58880328      0.99669194     -0.08128663
+H      0.56788448     -0.65945932      0.55726207
+H      0.72107951     -0.38625263     -1.19216330
+H      5.58471700     -0.84910030     -0.26171438
+H      5.42643605      0.01429906      1.26025325
+H      4.06222517      2.03291057     -1.06222254
+H      5.49580291      2.98973198     -1.44760836 
+
+16
+-1595.0422208313462 13.187478 13.22318 -8.5693 -6.6481 -9.135 0.5098 -1.1011 -0.369 8.55359 0.93697 5.0376875646 5.0376875646 0.624728289
+C      1.87199542     -0.54193908     -1.29051827
+C      2.68218302     -0.14042081     -0.04669958
+C      3.04403200      1.31213351     -0.03639984
+C      4.30190149      1.80038351     -0.01052806
+C      4.60335298      3.21304634     -0.01656450
+N      5.83434550      3.60723118      0.00345978
+O      5.90287391      5.01877994     -0.01130158
+H      1.58565251     -1.60227688     -1.24678532
+H      2.45625109     -0.38135232     -2.20778151
+H      0.94958646      0.05224594     -1.37274759
+H      3.59639379     -0.75073933      0.02318831
+H      2.08222457     -0.36753773      0.85309758
+H      2.20660583      2.02111244     -0.06816829
+H      5.15990235      1.12114850      0.01611619
+H      3.78164185      3.94336505     -0.04133473
+H      6.86469724      5.17348973      0.00468742 
+
+16
+-1645.8040105116215 11.88741 12.68297 -9.2653 -7.345 -9.915 0.5874 -1.0045 -0.175 9.35061 0.7571 4.1695499912 5.5036021554 0.404321336
+C      1.49557837     -0.44812534     -0.58557807
+C      2.90009690     -0.24038084      0.00509413
+C      3.20194196      1.20059963      0.26474262
+C      4.21415232      1.89979599     -0.27060226
+C      4.40620110      3.34330309      0.05664514
+N      5.47644171      3.93084175     -0.57970847
+O      3.68027806      3.97676247      0.82489822
+H      1.28552694     -1.51749021     -0.72689058
+H      1.40171790      0.05205702     -1.55989796
+H      0.72147983     -0.03584065      0.07802236
+H      3.66212528     -0.67433726     -0.66163363
+H      2.96489026     -0.78952108      0.96162209
+H      2.53217681      1.74459804      0.94222280
+H      4.91789119      1.41995195     -0.95999106
+H      6.08459668      3.41836739     -1.20697873
+H      5.66450468      4.91067806     -0.39660660 
+
+16
+-1593.6167380513466 12.297464 12.35774 -8.8196 -6.8526 -9.334 0.3661 -1.2416 -0.446 8.70791 0.97052 5.1300571346 5.1300571346 0.404343648
+C      2.31263806     -0.13241544      1.45963394
+C      2.59418588      0.37393616      0.03555094
+C      2.96561677      1.83865535     -0.01407796
+C      2.09600472      2.79116772     -0.41638024
+C      4.30575275      2.24900402      0.39194827
+N      5.19077455      1.37461939      0.73486719
+O      6.40979576      2.00452238      1.06756550
+H      2.04252276     -1.19801402      1.44137111
+H      1.48035351      0.42227721      1.91656140
+H      3.19632051     -0.01674368      2.10104710
+H      1.70620732      0.21723794     -0.59528995
+H      3.41511058     -0.21631831     -0.40026759
+H      1.08797058      2.53383722     -0.74469188
+H      2.37164929      3.84736104     -0.42926372
+H      4.55362884      3.32002389      0.38911420
+H      6.97433811      1.24411913      1.29670168 
+
+16
+-1643.6177357315994 11.292619 11.98835 -9.3873 -7.4604 -9.952 0.5578 -1.077 -0.228 9.55542 0.72738 4.1253117864 5.557300492 0.2798982
+C      3.23373064     -0.41572670      1.37229072
+C      2.83130211      0.17294431      0.01131363
+C      2.86454629      1.67895210     -0.01439142
+C      1.76690969      2.44162426     -0.15683441
+C      4.24299852      2.29353322      0.03973947
+N      4.32996105      3.53366650      0.63010067
+O      5.22330071      1.72878961     -0.44747880
+H      3.21035949     -1.51408198      1.33918489
+H      2.54857463     -0.08477521      2.16665151
+H      4.25390100     -0.11224963      1.64712951
+H      1.82295559     -0.16779659     -0.26702054
+H      3.53293402     -0.19038326     -0.75623814
+H      0.77744201      1.98898370     -0.25130981
+H      1.82062286      3.52908388     -0.23035531
+H      3.59865032      3.85385270      1.25537909
+H      5.26402106      3.91322309      0.75350892 
+
+16
+-1592.750811974202 12.044634 12.20526 -8.8629 -6.9097 -9.489 0.2361 -1.3749 -0.378 8.90128 0.8972 5.0576865064 5.3290298674 0.552946714
+C      1.20759340      0.03317596      1.45555392
+C      1.72252209      0.38907390      0.05159534
+C      2.60637070      1.61546480      0.03261340
+C      2.05242569      2.96463902      0.14379930
+C      0.73993164      3.26112456      0.13826619
+N      3.87690991      1.35487217     -0.06860498
+O      4.68221132      2.52209041     -0.05555496
+H      0.55830558     -0.85292482      1.41506581
+H      0.63263327      0.85622669      1.90179234
+H      2.04878107     -0.19134572      2.12658422
+H      0.87493293      0.54209548     -0.63593429
+H      2.31120626     -0.44777847     -0.34940155
+H      2.78280731      3.77055795      0.22678660
+H     -0.03433851      2.49721638      0.04839337
+H      0.40103988      4.29440899      0.21800994
+H      5.57145746      2.13610270     -0.13699464 
+
+18
+-1732.9950933992322 11.873899 12.81727 -9.3853 -7.3886 -10.537 1.5377 -0.1724 0.556 10.00613 0.06814 5.5557010726 6.6067923876 0.20346776
+C      3.53300344     -1.02616640     -0.29113887
+C      2.91757485      0.01454513      0.64493204
+C      3.21383160      1.47671057      0.24397307
+C      2.42922173      2.46236087      1.12800395
+C      4.68368736      1.76943339      0.33104857
+N      5.33778112      2.13388791     -0.70872072
+O      6.70513025      2.36989115     -0.39482522
+H      3.28654123     -2.04610881      0.03617726
+H      4.62855788     -0.93953812     -0.32804130
+H      3.15960467     -0.90368521     -1.31921533
+H      3.27179279     -0.15049316      1.67811786
+H      1.82259971     -0.11283000      0.67514756
+H      2.91440193      1.62187552     -0.80776899
+H      2.72072351      2.36469740      2.18552005
+H      1.34947553      2.26504310      1.05837774
+H      2.60980485      3.50177295      0.82130633
+H      5.18673912      1.67413744      1.30700898
+H      7.06295843      2.63387624     -1.26145298 
+
+18
+-1786.6882292710163 11.28215 12.40786 -9.2627 -7.2861 -10.676 0.6974 -0.2658 0.62 9.59944 0.04029 4.3844673236 6.8128695182 0.117563347
+C      2.78217860     -1.34223328     -0.03661338
+C      2.44501977     -0.13199730      0.83547002
+C      3.06908999      1.18606602      0.34469482
+C      2.58097405      2.38243002      1.17696901
+C      4.59977518      1.10873426      0.44240956
+N      5.28197190      1.37454427     -0.71721948
+O      5.18073642      0.84495650      1.49390080
+H      2.29825113     -2.25134558      0.34736482
+H      3.86578949     -1.53037967     -0.05936174
+H      2.44143699     -1.19783320     -1.07412542
+H      2.79165929     -0.30402598      1.86713858
+H      1.35186794      0.00352367      0.88153286
+H      2.77801022      1.34187821     -0.71038374
+H      2.88696992      2.26005949      2.22538116
+H      1.48454097      2.45357687      1.13835046
+H      2.99884394      3.33027247      0.80867260
+H      4.80769676      1.57287748     -1.58964124
+H      6.29703743      1.35410575     -0.69686968 
+
+18
+-1736.03145125908 11.670225 12.6849 -9.1746 -7.142 -10.212 1.3114 -0.0582 0.733 9.56813 -0.02765 5.5379214802 6.4479415244 0.197455702
+C      1.36060457      0.26869663      1.41801568
+C      1.94658511      0.49010524      0.01478748
+C      3.07517171      1.49077925     -0.00960400
+C      2.77770754      2.95732311      0.17710709
+C      2.63389189      3.69142236     -1.16868905
+N      4.24826440      0.99736122     -0.21767577
+O      5.25514569      2.01213514     -0.22741694
+H      0.52614668     -0.44569067      1.37856297
+H      0.97748855      1.20192393      1.85607142
+H      2.12426420     -0.13507836      2.09762297
+H      1.15059917      0.84422894     -0.66378041
+H      2.32028228     -0.46141528     -0.38966901
+H      3.58995749      3.41732753      0.75835832
+H      1.84909934      3.06455838      0.75802340
+H      3.56790998      3.63187870     -1.74243839
+H      2.39622308      4.75216820     -1.00532652
+H      1.82844173      3.25644923     -1.77842409
+H      6.05566655      1.47754645     -0.36653517 
+
+14
+-1437.062617443674 12.565079 13.3342 -8.8029 -6.868 -9.361 0.5273 -1.1928 -0.222 8.82954 0.78603 3.6092572572 11.8141547932 0.554528437
+C      0.97271170     -0.06377290      0.00310779
+C      2.51119014     -0.03593421     -0.00018381
+C      3.06086782      1.31199028     -0.00004427
+C      3.48039516      2.45784295      0.00003498
+C      4.06750294      3.74260646      0.00010105
+N      3.32918789      4.80806502      0.00003140
+O      4.14598839      5.95700802      0.00011643
+H      0.61107536     -1.10099491      0.00299161
+H      0.57246189      0.44467185     -0.88383098
+H      0.57629098      0.44313230      0.89264326
+H      2.89479047     -0.57761519     -0.88193062
+H      2.89860638     -0.57937545      0.87880225
+H      5.16367335      3.82547361      0.00019179
+H      3.48474752      6.67279217      0.00004910 
+
+14
+-1488.0550422657066 11.546388 12.91942 -9.4488 -7.4968 -9.989 0.915 -0.8284 -0.12 9.49762 0.69659 3.6739903478 11.176965942 0.308073176
+C      0.95686390     -0.04817259      0.00311994
+C      2.49552482     -0.04420387     -0.00006935
+C      3.06889931      1.29411287      0.00002915
+C      3.52236314      2.42483060      0.00008369
+C      3.96337900      3.81018752      0.00013703
+N      5.32735288      3.96805169     -0.00003520
+O      3.17574713      4.75625948      0.00031706
+H      0.58072879     -1.08015681      0.00303143
+H      0.56422410      0.46612279     -0.88362306
+H      0.56791540      0.46461302      0.89236016
+H      2.87334792     -0.58963157     -0.88157574
+H      2.87701214     -0.59140783      0.87875104
+H      5.95220549      3.17035601     -0.00016432
+H      5.70361599      4.91044870     -0.00001184 
+
+18
+-1737.2560669127417 11.821847 12.9389 -9.1702 -7.1208 -10.242 0.9725 -0.0244 0.697 9.61723 -0.00371999999999 5.5852841322 11.3432683638 0.266843056
+C      1.49945040     -0.43974708     -0.61875110
+C      2.83656736     -0.46308454      0.12348676
+C      3.74638052      0.71615909     -0.26446180
+C      5.04102687      0.74898251      0.50354790
+C      5.03773543      1.02165922      1.98155288
+N      6.10925914      0.52335669     -0.18287993
+O      7.27035752      0.55838594      0.64900833
+H      0.87377318     -1.29950505     -0.33983155
+H      1.64793504     -0.47335670     -1.70878400
+H      0.93191258      0.47545094     -0.38902209
+H      3.37043033     -1.40328168     -0.09107979
+H      2.65402265     -0.45176274      1.21091666
+H      3.20511896      1.66309369     -0.08517956
+H      3.97897387      0.66997054     -1.33887967
+H      4.03150056      1.27014333      2.33966692
+H      5.72145923      1.85040753      2.21624220
+H      5.40886942      0.14840051      2.53889452
+H      7.97306692      0.39492781     -0.00363668 
+
+18
+-1732.5803239529785 11.89211 12.94928 -9.4967 -7.3719 -10.587 1.3685 -0.2319 0.508 10.09039 0.10085 5.5224356288 6.6063708352 0.199460595
+C      1.32563601     -0.82680178      0.11689785
+C      2.82198108     -0.51307764      0.15782602
+C      3.12167211      0.97764480     -0.02396003
+C      4.62453708      1.31914335     -0.01037781
+C      5.27305759      1.07167987      1.31477708
+N      6.26520391      0.26502460      1.40853113
+O      6.72946000      0.18287034      2.74989772
+H      1.13688464     -1.90275606      0.23955738
+H      0.87874588     -0.51684459     -0.84045128
+H      0.78582523     -0.30035177      0.91918564
+H      3.34410264     -1.08352581     -0.62964995
+H      3.24937255     -0.85991458      1.11325244
+H      2.60797574      1.55575339      0.76496926
+H      2.69559626      1.32338920     -0.98089387
+H      4.74654352      2.38730468     -0.26191182
+H      5.15994194      0.74123506     -0.77921451
+H      4.88709283      1.58816497      2.20743889
+H      7.46582099     -0.44887802      2.66454588 
+
+18
+-1786.3955264619844 11.455195 12.9811 -9.3688 -7.3525 -10.811 0.7073 -0.2497 0.544 9.70047 0.1021 4.3548594668 11.5062479608 0.194641791
+C      1.14548446     -0.54193960     -0.04017485
+C      2.65454497     -0.29303692      0.00034912
+C      3.01371342      1.19526476     -0.00157505
+C      4.52003760      1.44180286      0.04110489
+C      4.89222388      2.92588842      0.01829071
+N      6.24370413      3.17449728      0.03246429
+O      4.06638134      3.83462950     -0.00826540
+H      0.91450442     -1.61684261     -0.04454230
+H      0.69419092     -0.09873832     -0.94095300
+H      0.64574877     -0.09548622      0.83297275
+H      3.13152010     -0.78656465     -0.86478591
+H      3.08216581     -0.77369288      0.89790578
+H      2.54169103      1.69826939      0.85739910
+H      2.59446752      1.68221640     -0.89646409
+H      5.01498712      0.94576077     -0.81246247
+H      4.95792066      0.98972443      0.94861558
+H      6.93237057      2.43163024      0.04314802
+H      6.55602329      4.13969714      0.01293281 
+
+12
+-1357.0074787406825 10.201681 10.83924 -10.2542 -8.1726 -10.635 -0.6006 -2.4515 -1.276 10.16249 1.84924 3.4150827826 5.4015864746 0.443086471
+C      1.40632831      0.31483463     -0.84648673
+C      2.43216476      0.44476702      0.01220474
+C      3.82420146     -0.11638566     -0.18945430
+C      3.98827306     -0.84435796     -1.43969817
+N      4.09719649     -1.42465570     -2.44515883
+C      2.22252021      1.19136206      1.27350307
+O      3.09122664      1.36667934      2.11470777
+H      0.43721808      0.75809388     -0.60845406
+H      1.49931397     -0.22536091     -1.78986347
+H      4.07823133     -0.77761257      0.65497976
+H      4.55941026      0.70347101     -0.14346994
+H      1.18770545      1.59361486      1.40731016 
+
+14
+-1498.3904116812932 13.900071 12.76472 -8.1811 -6.3176 -8.447 0.3481 -1.2097 -0.398 7.97267 0.96373 4.2664326516 4.4969350242 0.884710147
+C      1.34002724     -0.64271859     -0.18369037
+C      2.63440393     -0.28953387     -0.04653341
+C      3.13022283      1.06560751     -0.11837749
+C      4.43844046      1.38263323      0.02114630
+N      4.95471324      2.67085073     -0.04306476
+C      6.28705962      2.99901804      0.09869215
+O      6.72126869      4.13931465      0.03954088
+H      1.02694250     -1.68417822     -0.11998199
+H      0.56219633      0.10286536     -0.36335226
+H      3.38046255     -1.07229508      0.13241341
+H      2.39937002      1.86226936     -0.29584840
+H      5.19138981      0.61067486      0.19877371
+H      4.32238395      3.45613610     -0.20629239
+H      6.92306883      2.10171592      0.27365461 
+
+14
+-1493.5754346815147 12.116692 11.86828 -8.7391 -6.8282 -8.897 -0.0279 -1.5995 -0.373 8.29095 0.84359 4.2421437942 4.8809320648 0.407553585
+C      2.82419392     -1.08907138      0.39534374
+C      2.23768634      0.10219584      0.18943866
+C      2.87751357      1.35824543     -0.21559069
+C      2.12185574      2.47119375     -0.37451008
+N      4.27051753      1.30618239     -0.41105006
+C      5.11944078      2.31040530     -0.81688395
+O      6.32490924      2.15318071     -0.95337319
+H      2.23111941     -1.95104337      0.69855489
+H      3.89423198     -1.27169108      0.27719172
+H      1.15783579      0.18688961      0.33248114
+H      1.05006221      2.40395228     -0.20251757
+H      2.51927457      3.43992575     -0.66588259
+H      4.73743732      0.41709481     -0.24008846
+H      4.60966161      3.27591996     -1.01041356 
+
+16
+-1632.9869873230498 11.45197 12.1136 -9.4855 -7.4528 -9.834 1.2331 -0.3593 0.341 9.92947 0.22213 4.3318476652 6.6622265282 0.40576753
+C      1.14614163     -1.99189318     -0.42329979
+C      1.61053431     -1.02975514      0.38394957
+C      2.04501836      0.33622753     -0.06190163
+C      3.55300606      0.57229666      0.14084877
+N      4.36092953     -0.33874893     -0.65740318
+C      5.28947068      0.08226030     -1.56669950
+O      5.60199890      1.24955024     -1.78037090
+H      0.85631199     -2.97105354     -0.03894452
+H      1.02410352     -1.82270554     -1.49663779
+H      1.71164569     -1.23999697      1.45621655
+H      1.50782722      1.10431739      0.52024198
+H      1.79337389      0.48966163     -1.12288110
+H      3.81126892      0.46621962      1.20844686
+H      3.83330721      1.58659739     -0.17202581
+H      4.14867749     -1.33320332     -0.61363540
+H      5.75295459     -0.77619414     -2.10629410 
+
+16
+-1639.0599233475002 12.20868 12.50642 -8.3439 -6.4151 -8.812 1.2145 -0.4196 0.067 8.28701 0.57588 4.2617831766 5.0005909534 0.402648384
+C      0.90599826     -0.38469720      0.03168602
+C      2.30164251      0.09569908      0.27792801
+C      2.77021501      1.36107038      0.20383500
+C      1.95367516      2.56999044     -0.15083022
+N      4.13703484      1.59329003      0.48002639
+C      4.83439031      2.77663776      0.47692614
+O      6.03101368      2.85437164      0.73746651
+H      0.88799662     -1.15114006     -0.76028822
+H      0.21706660      0.41461775     -0.26824332
+H      0.48726372     -0.86034555      0.93385814
+H      3.02142360     -0.68370131      0.55347960
+H      0.91815625      2.28855397     -0.36303919
+H      2.35380329      3.07892313     -1.04080335
+H      1.94225517      3.30196724      0.67121519
+H      4.70756711      0.78120724      0.72143328
+H      4.21542787      3.65925546      0.21656002 
+
+18
+-1751.206719868912 11.984489 12.75791 -9.264 -7.1334 -9.041 0.7338 -0.3981 1.29 8.46376 -0.619 6.1582482354 6.1582482354 0.393076991
+C      1.10083164     -0.78090955     -0.04471478
+C      2.48892904     -0.21976590     -0.11263260
+C      2.88976959      1.05925157      0.01658976
+C      1.95914051      2.22437186      0.26425361
+N      2.30408962      2.89979828      1.54352234
+C      4.35436802      1.42525987     -0.10004565
+O      4.90774090      1.95685256      1.10942100
+H      1.04772577     -1.58547667      0.70596802
+H      0.81707454     -1.23797226     -1.00693389
+H      0.33828791     -0.03270282      0.20703970
+H      3.27413647     -0.96204373     -0.30113441
+H      0.90183600      1.91394720      0.21007185
+H      2.11499385      2.96866565     -0.53612792
+H      2.02036766      2.30656914      2.32828943
+H      1.78410192      3.77609294      1.63102304
+H      4.47348758      2.15559574     -0.92980169
+H      4.94582825      0.53420318     -0.36080457
+H      4.20726073      2.55717295      1.46322677 
+
+18
+-1752.6289399524567 11.942805 13.04314 -9.3781 -7.2036 -9.275 0.7799 -0.1687 1.194 8.75785 -0.5732 6.2994310936 6.2994310936 0.411800201
+C      1.93943967      0.66581683     -2.85621714
+C      3.21334530      0.66063797     -2.06591147
+C      3.38619898      1.26488823     -0.88279371
+C      4.65268300      1.30140315     -0.06286609
+N      5.83130330      0.59887004     -0.59441698
+C      5.09330393      2.75400533      0.21412789
+O      6.24906226      2.78338261      1.03808075
+H      2.08762699      1.12545924     -3.84692444
+H      1.14392893      1.21978894     -2.33869704
+H      1.58036712     -0.35961912     -3.04010002
+H      4.05099197      0.10756384     -2.50898421
+H      2.53761291      1.80573861     -0.44330519
+H      4.44320409      0.85131478      0.92547113
+H      5.97121076      0.84619489     -1.57892312
+H      5.69877079     -0.41360566     -0.55951032
+H      4.29497574      3.30547311      0.73374521
+H      5.27469198      3.25950192     -0.75812950
+H      6.78583229      2.02841528      0.71086428 
+
+16
+-1635.4955516119135 11.864718 12.72418 -9.262 -7.1891 -9.345 1.048 -0.183 0.339 9.8306 0.25187 4.3235530018 6.0046047842 0.411808761
+C      0.65241617      0.08622413      0.25099044
+C      2.14222409     -0.05741121      0.22134524
+C      3.00690346      0.90670016     -0.12447096
+C      4.49857690      0.74185830     -0.12648661
+N      5.07080158      0.96295814     -1.45590021
+C      6.04133263      1.88972262     -1.71248165
+O      6.57581819      2.61196605     -0.87752727
+H      0.16932150     -0.65707196     -0.40331717
+H      0.33510576      1.08731476     -0.07115438
+H      0.25801814     -0.08907895      1.26458587
+H      2.54415703     -1.03377089      0.52119807
+H      2.63207710      1.89080814     -0.42983055
+H      4.77513179     -0.25947335      0.24370089
+H      4.98526740      1.48509922      0.52367612
+H      4.68297957      0.44667492     -2.24158648
+H      6.30623869      1.91674993     -2.79504135 
+
+18
+-1752.0222345552056 11.696875 12.52624 -9.5211 -7.3396 -9.416 0.8417 -0.2041 1.188 8.79653 -0.55811 6.4037281168 6.4037281168 0.409261588
+C      3.11742054     -1.45105762      1.34383294
+C      3.01263514      0.04788271      1.47349314
+C      2.59468691      0.62502868      2.61019380
+C      3.39128746      0.84616854      0.23329666
+N      3.17760914      2.30028669      0.26610745
+C      4.87051034      0.64291135     -0.16918596
+O      5.17125655      1.37407783     -1.34797099
+H      4.16209383     -1.77850390      1.22619063
+H      2.57345583     -1.80903428      0.45454461
+H      2.70452725     -1.95642064      2.22626834
+H      2.32700538      0.02350924      3.48071652
+H      2.49560847      1.70675515      2.71466077
+H      2.78684337      0.46270586     -0.61012591
+H      3.59395020      2.69788023      1.11358103
+H      2.18056910      2.52093653      0.29251560
+H      5.08182917     -0.41589012     -0.37418205
+H      5.51217941      0.96022143      0.68047882
+H      4.64866191      2.20076231     -1.24541540 
+
+16
+-1635.386722945427 11.498904 12.07502 -9.3966 -7.3427 -9.483 1.3615 -0.2419 0.268 9.94006 0.31536 4.3278925118 6.113377702 0.341014005
+C      0.66152514     -0.00764671     -0.27446448
+C      1.85681785     -0.85530305      0.06285709
+C      1.75822928     -2.09028688      0.57806655
+C      3.21492767     -0.23461552     -0.18823533
+N      3.44982461      0.05814525     -1.60219749
+C      3.63566352      1.32101700     -2.09095280
+O      3.63522770      2.35047680     -1.42443781
+H      0.66273499      0.91877203      0.32189990
+H     -0.27772663     -0.54334463     -0.08814321
+H      0.68123202      0.30582749     -1.32960895
+H      0.78837721     -2.54654610      0.78540006
+H      2.64629002     -2.67783434      0.82086143
+H      4.01016505     -0.89511201      0.19034154
+H      3.30022254      0.73516874      0.32659252
+H      3.45273727     -0.71409753     -2.26401950
+H      3.79477176      1.31385946     -3.19431951 
+
+16
+-1640.629272202591 12.378107 12.70833 -8.3236 -6.3697 -8.736 1.4232 -0.2621 0.148 8.26223 0.53406 4.3050170948 4.928381507 0.409845411
+C      0.86351379      0.05124184      0.12251466
+C      2.32766239     -0.25919153     -0.02837394
+C      2.68912515     -1.71902294     -0.04188371
+C      3.22076979      0.74403268     -0.14005527
+N      4.60688931      0.61256738     -0.28427726
+C      5.48789686      1.66141785     -0.39615764
+O      6.69912276      1.53590580     -0.52080507
+H      0.67045581      1.13240822      0.12572962
+H      0.46331505     -0.36816975      1.06087044
+H      0.27626153     -0.39649536     -0.69677355
+H      2.16635273     -2.24085989     -0.86022916
+H      2.37181040     -2.20680771      0.89452659
+H      3.76233649     -1.91616854     -0.16406925
+H      2.88897837      1.78445370     -0.12277748
+H      5.02788632     -0.31568405     -0.31046410
+H      4.97196324      2.64832231     -0.36073488 
+
+18
+-1778.8540153195208 11.308196 12.19346 -9.4149 -7.3554 -10.545 0.7068 -0.2428 0.398 9.81919 0.19335 4.2976399278 9.095550967 0.19112452
+C      0.93684625     -0.14805427     -0.02897870
+C      2.46623480     -0.22379837      0.12090284
+C      2.84885862     -1.10767002      1.32080267
+C      3.09581358     -0.77608984     -1.16491520
+N      3.02109784      1.14171753      0.30636402
+C      2.73160059      2.00424920      1.32215791
+O      1.95805445      1.80089243      2.25393329
+H      0.66170790      0.47638796     -0.89119628
+H      0.48279729      0.28008828      0.87325468
+H      0.52627883     -1.15598974     -0.18601474
+H      2.43598864     -0.69426109      2.24937984
+H      3.94181358     -1.17451741      1.42104543
+H      2.45121973     -2.12315592      1.18018691
+H      2.83715623     -0.15128316     -2.03358097
+H      2.72511707     -1.79148715     -1.35869183
+H      4.19219011     -0.82865922     -1.07953676
+H      3.69292140      1.46863743     -0.38342585
+H      3.29855310      2.96027335      1.21054275 
+
+20
+-1894.2185688519385 11.694821 12.69882 -9.3059 -7.1131 -10.528 0.7268 -0.2555 2.654 9.97471 -2.32982 8.4587216752 10.95106345 0.102712975
+C      0.95628029     -0.01043368      0.07373476
+C      2.49363479      0.00277707      0.07589171
+C      3.01749353     -0.54430894      1.41257082
+C      3.04848993     -0.89769617     -1.05290830
+N      2.65807222     -0.42813288     -2.40238522
+C      3.02061547      1.44967914     -0.09639348
+O      2.56990044      2.10803726     -1.27359489
+H      0.55047179      0.47502414     -0.82476879
+H      0.56662393      0.54472433      0.94025510
+H      0.56843296     -1.03986902      0.13248057
+H      2.64151029      0.05762990      2.25332337
+H      4.11809361     -0.52678020      1.45133809
+H      2.69033106     -1.58298568      1.57330696
+H      2.74179560     -1.94491396     -0.85803164
+H      4.14973295     -0.87163190     -1.00709399
+H      1.68064345     -0.66611610     -2.58919214
+H      3.21151897     -0.90941227     -3.11388552
+H      4.13105610      1.41814186     -0.05690590
+H      2.68512696      2.05999614      0.75967475
+H      2.66787568      1.43211095     -1.98995626 
+
+20
+-1893.9130573439409 11.739384 12.94196 -9.5252 -7.3013 -10.671 0.7634 -0.1983 2.696 9.96764 -2.38751 8.4037462828 10.6249306756 0.133809599
+C      0.94073537     -0.25557100      0.16654507
+C      2.44567192     -0.05141568     -0.05242613
+C      3.00208613     -1.16464207     -0.95294851
+C      2.75215347      1.35834442     -0.61035149
+N      2.29557658      2.48112111      0.23743281
+C      4.25162664      1.60479605     -0.86381787
+O      4.47903872      2.94622211     -1.27182017
+H      0.51513863      0.48798767      0.85569098
+H      0.73953062     -1.24970303      0.59173849
+H      0.39373434     -0.18643086     -0.78817452
+H      2.94917174     -0.12470715      0.93199534
+H      2.59374879     -1.08428018     -1.97358104
+H      2.72041041     -2.15346853     -0.56231858
+H      4.09759491     -1.13935390     -1.02478850
+H      2.23279129      1.47404987     -1.57959325
+H      2.52290834      2.29687404      1.21973989
+H      1.28354596      2.59930180      0.18324546
+H      4.62984788      0.94922715     -1.66073535
+H      4.81764202      1.36733678      0.06465707
+H      3.80737627      3.45101142     -0.75770970 
+
+18
+-1778.1013505058656 11.449104 12.48317 -9.4684 -7.4326 -10.579 0.7082 -0.2523 0.377 9.91197 0.19141 4.3394108112 9.2238020854 0.199362675
+C      0.79553727     -1.21922601      0.05784765
+C      2.23521117     -0.83327851     -0.29433473
+C      2.91539865     -1.91880390     -1.13498153
+C      2.30642037      0.51325387     -1.03980758
+N      1.79551147      1.65088547     -0.28148873
+C      2.59566218      2.45517213      0.47933653
+O      3.80901157      2.32946940      0.60986896
+H      0.31460194     -0.46207100      0.69472774
+H      0.76691607     -2.17234953      0.60551930
+H      0.18500374     -1.34142959     -0.85242146
+H      2.80543609     -0.70829687      0.64235698
+H      2.39614589     -2.05879003     -2.09713500
+H      2.90686235     -2.88516200     -0.61090841
+H      3.96295256     -1.66240112     -1.35089062
+H      1.74390510      0.44763552     -1.98608549
+H      3.35369357      0.74388866     -1.28148964
+H      0.80032638      1.85376314     -0.29135673
+H      2.01254363      3.26603036      0.97562275 
+
+14
+-1497.7316122860161 10.128852 11.27852 -10.2155 -8.0495 -11.262 0.5186 -1.4593 -0.398 10.42199 1.06133 3.68052441 11.5382363488 0.15463187
+C      0.94950360      0.02596302     -0.01728483
+C      2.47917280      0.15233295     -0.10099337
+C      3.07307145     -0.41539358     -1.40359882
+C      2.85026239     -1.85065114     -1.53079534
+N      2.65984351     -2.99899067     -1.60854841
+C      2.89434909      1.59913969      0.09091929
+O      3.60766351      2.23006569     -0.66472893
+H      0.56986463      0.44651119      0.92426465
+H      0.64971585     -1.02904891     -0.06207686
+H      0.46605676      0.55773749     -0.84993398
+H      2.91162924     -0.39380993      0.75959715
+H      4.15321164     -0.21123108     -1.44737001
+H      2.62828411      0.09360338     -2.27316477
+H      2.47760141      2.07153191      1.01810421 
+
+16
+-1599.6442848470422 11.764039 13.29277 -9.4834 -7.3139 -9.438 0.7195 -0.2485 2.189 9.01453 -1.76189 4.1479144342 10.1299909622 0.483893082
+C      0.94099056      0.03543087      0.02518755
+C      2.39600188      0.01636879      0.00881622
+C      3.61332542     -0.00850225      0.00431188
+C      5.07588691     -0.01180421     -0.04387125
+N      5.65917952     -0.66047544     -1.24483620
+C      5.65602440      1.41956192      0.01802869
+O      7.07122578      1.37820195     -0.05505880
+H      0.55667431      1.06624269      0.03483554
+H      0.54743140     -0.47806171      0.91503542
+H      0.52722100     -0.46750458     -0.86173232
+H      5.47303905     -0.55740867      0.82931403
+H      5.13012535     -0.36368079     -2.07104404
+H      5.54334082     -1.67420116     -1.18201584
+H      5.37415969      1.89947418      0.96590834
+H      5.21839985      2.01379560     -0.80994662
+H      7.25106405      0.67726281     -0.72045262 
+
+14
+-1480.6012663528122 11.395496 12.94746 -9.5873 -7.4387 -9.535 0.658 -0.2541 0.326 9.91743 0.26849 4.174050683 10.2820101968 0.345307521
+C      0.96444494     -0.00922938      0.00001396
+C      2.41921117     -0.00527358     -0.00032109
+C      3.63457055     -0.00721102     -0.00058869
+C      5.09012531     -0.00052250     -0.00183584
+N      5.61473551      1.37031852      0.03734865
+C      6.95303504      1.61983844      0.06583400
+O      7.82217335      0.75364666      0.06614485
+H      0.56951445      1.01733854      0.01189646
+H      0.56832940     -0.53058121      0.88375264
+H      0.56805733     -0.50998122     -0.89543867
+H      5.48046118     -0.51123260     -0.89859540
+H      5.48348920     -0.55897198      0.86428809
+H      4.95341651      2.14151032      0.03344988
+H      7.17360607      2.71229101      0.09112115 
+
+16
+-1638.0652681937665 12.481931 12.99521 -8.5597 -6.6027 -8.993 1.2434 -0.398 0.079 8.51948 0.56696 4.2945278792 5.0901460412 0.433792446
+C      2.63418069     -1.14050402      0.95428375
+C      3.10614848     -0.30648370     -0.24676701
+C      3.15210707      1.16511885      0.04205335
+C      4.26932315      1.90744089     -0.01810220
+N      4.34418390      3.27697639      0.25322248
+C      5.49100511      4.03316164      0.19113546
+O      5.54273910      5.23053349      0.43571379
+H      2.57531787     -2.20741368      0.69532794
+H      1.63585705     -0.82187849      1.29000162
+H      3.32280851     -1.03005298      1.80426993
+H      2.42432631     -0.49076940     -1.09620052
+H      4.10177375     -0.64919357     -0.57233673
+H      2.20825561      1.64255489      0.33157847
+H      5.22877708      1.46419094     -0.29871313
+H      3.49770827      3.77893292      0.52472989
+H      6.37613804      3.42684584     -0.11027711 
+
+16
+-1637.0637645851211 11.85598 12.17921 -8.6863 -6.7476 -9.184 0.9777 -0.6383 -0.012 8.57161 0.61132 4.2470288426 5.231713256 0.379417745
+C      2.61053623     -0.50529845      1.38208314
+C      2.50860370      0.15102979     -0.00508064
+C      2.92597009      1.60203377     -0.03094494
+C      2.03346355      2.60604842     -0.13094141
+N      4.29853920      1.89583544      0.09146938
+C      5.37604923      1.04120879      0.06596420
+O      6.53810232      1.42193406      0.14370481
+H      2.26454223     -1.54719722      1.33654902
+H      1.98505339      0.03182256      2.10835019
+H      3.63894668     -0.51100996      1.76828214
+H      1.46576717      0.11092702     -0.34923100
+H      3.09278999     -0.42604943     -0.74072668
+H      0.97110994      2.38828335     -0.21703038
+H      2.33658027      3.65397950     -0.12594571
+H      4.55760810      2.88167356      0.15857591
+H      5.09575791     -0.02720120     -0.03299803 
+
+16
+-1630.6519203822365 12.037228 12.18555 -8.3042 -6.4426 -8.866 0.3172 -1.3281 -0.684 8.36822 1.35826 3.4525017574 4.2646596518 0.373075342
+C      1.97169694     -0.23662939      1.51708764
+C      2.37750289      0.18053248      0.09505330
+C      2.96455543      1.57236014      0.01874558
+C      2.06128146      2.70492518      0.10847272
+O      0.83462104      2.63042672      0.20799215
+C      4.31825418      1.74635067     -0.12577084
+N      5.02739287      2.90926716     -0.26564355
+H      1.53068987     -1.24429558      1.51795343
+H      1.22678524      0.45943509      1.92550469
+H      2.84138715     -0.24483769      2.19120156
+H      1.48704180      0.14569784     -0.55240754
+H      3.10002686     -0.54320399     -0.31531693
+H      2.53800496      3.72294766      0.08148622
+H      4.94925286      0.85392583     -0.18767000
+H      4.58148486      3.80103447     -0.07850443
+H      6.02963160      2.88122341     -0.12504402 
+
+20
+-1894.783984894913 11.664241 12.76756 -9.5326 -7.336 -10.667 0.7665 -0.1951 2.672 9.96339 -2.34514 8.3057353498 11.9940832764 0.088395041
+C      2.79549228     -0.98419473     -1.03024001
+C      2.47253622      0.05383852      0.05075133
+C      3.05380189      1.47229640     -0.15210902
+C      2.49571195      2.14244299     -1.41314023
+N      2.73816688      2.35857452      0.99991848
+C      4.60290950      1.43366194     -0.20716012
+O      5.15663866      2.73995132     -0.15041505
+H      2.33157268     -1.94962848     -0.78286373
+H      3.87675745     -1.15782092     -1.12633333
+H      2.41344263     -0.68217610     -2.01586800
+H      2.83573971     -0.32142444      1.02453580
+H      1.37705597      0.15025780      0.14776467
+H      2.74334513      1.56215221     -2.31183242
+H      2.92613602      3.14563813     -1.53134145
+H      1.39904797      2.23128696     -1.35841198
+H      2.81880750      1.83338329      1.87604844
+H      1.77014240      2.68395563      0.94279450
+H      4.94816752      0.96757810     -1.14208923
+H      4.97061477      0.80928090      0.63582901
+H      4.55314287      3.20905597      0.47108233 
+
+18
+-1778.7598098659655 11.411822 12.45816 -9.488 -7.4312 -10.515 0.7243 -0.2161 0.389 9.86827 0.18934 4.3381709512 6.1813344286 0.189832921
+C      3.13207142     -1.14751692      0.37116905
+C      2.38091222      0.03259653      0.98674565
+C      2.92884140      1.40994804      0.57677814
+C      2.05719447      2.55691383      1.09748372
+N      4.31702433      1.57995421      1.01960867
+C      5.36911612      1.80399605      0.17787663
+O      5.30897142      1.86307746     -1.04624942
+H      2.70116239     -2.10329170      0.70050258
+H      4.19364357     -1.14071977      0.65705181
+H      3.08643880     -1.11645154     -0.72735547
+H      2.39091959     -0.04211188      2.08960723
+H      1.31947519     -0.00584170      0.69163330
+H      2.98357771      1.46324863     -0.52178421
+H      2.01181464      2.55320601      2.19830642
+H      1.02870903      2.46109528      0.72136888
+H      2.45508502      3.52724047      0.77178375
+H      4.50883400      1.58282491      2.01931397
+H      6.32363869      1.92886210      0.74153929 
+
+20
+-1892.5179363322266 11.689575 12.84306 -9.3481 -7.1427 -10.58 0.7467 -0.2397 2.845 10.02091 -2.53586 8.5872331642 11.1766435784 0.100646455
+C      2.81856066     -0.87510302     -0.58761556
+C      2.78867471     -0.03048827      0.68850791
+C      3.80209974      1.12940934      0.70029121
+C      3.56649260      2.08389785      1.88506421
+N      3.84480526      1.42817656      3.18650111
+C      5.26891532      0.65819757      0.65837793
+O      5.62791171     -0.18983077      1.74667195
+H      2.02480695     -1.63565459     -0.57390439
+H      3.77570043     -1.40344429     -0.70011078
+H      2.66796460     -0.25230618     -1.48354357
+H      2.97912633     -0.68819031      1.55247720
+H      1.77643565      0.39076914      0.82115348
+H      3.63758278      1.73186847     -0.21432453
+H      2.54064535      2.49812597      1.82456975
+H      4.26279629      2.93319145      1.79738908
+H      3.07686766      0.79879481      3.43386300
+H      3.88917644      2.12866897      3.92940231
+H      5.92210156      1.55553594      0.62060831
+H      5.46077590      0.08910228     -0.26493359
+H      5.25180005      0.25987908      2.54278496 
+
+20
+-1894.5466177314195 11.859888 13.32856 -9.5361 -7.3118 -10.693 0.7665 -0.207 2.788 10.00264 -2.52245 8.4684793734 13.4990501416 0.097794735
+C      1.33295216     -0.59155606      0.09088274
+C      2.84770357     -0.40481274      0.19940849
+C      3.31698999      0.97448083     -0.27285489
+C      4.83043697      1.20869776     -0.16549250
+N      5.67456761      0.34865418     -1.02260483
+C      5.20570953      2.66170525     -0.49743866
+O      6.61308434      2.84849809     -0.45724400
+H      1.02519272     -1.58909144      0.43557145
+H      0.99119058     -0.47734446     -0.94930302
+H      0.79584639      0.15250362      0.69871926
+H      3.35256323     -1.18969818     -0.38944583
+H      3.16321530     -0.55434456      1.24671951
+H      2.79811037      1.75173477      0.31680244
+H      3.00612748      1.13103992     -1.32284540
+H      5.15445736      1.01635513      0.87260195
+H      5.27004668      0.28324309     -1.96224379
+H      5.72578231     -0.60224826     -0.65504021
+H      4.75111310      3.34964183      0.23217340
+H      4.79743751      2.91951562     -1.49899554
+H      6.96156281      1.99738563     -0.80748055 
+
+18
+-1777.1327816575313 11.488182 12.66769 -9.4853 -7.4371 -10.601 0.726 -0.2434 0.373 9.91745 0.19009 4.3371666646 6.228870661 0.193697243
+C      1.01898688     -0.33155475     -0.14520615
+C      2.53518051     -0.14260212     -0.06553637
+C      2.94693291      1.32998418      0.01484154
+C      4.46102081      1.56429848      0.08216040
+N      5.08700757      1.04343161      1.29580351
+C      5.35185504      1.82110343      2.38727981
+O      5.12445454      3.02336997      2.47486077
+H      0.74717708     -1.39493200     -0.20565201
+H      0.60210270      0.17148665     -1.03098922
+H      0.52091329      0.09151118      0.74033458
+H      3.01245480     -0.60691665     -0.94691676
+H      2.91934552     -0.68279793      0.81698553
+H      2.47924456      1.80476396      0.89314233
+H      2.56282281      1.86466328     -0.87104415
+H      4.67353413      2.64182332      0.06687862
+H      4.95976970      1.10614055     -0.78712019
+H      5.30208668      0.05311631      1.36252665
+H      5.81914048      1.23090053      3.21015110 
+
+15
+-1472.0049893944274 11.622851 11.88698 -8.5838 -6.6576 -9.627 0.4016 -1.215 -0.229 9.00277 0.73117 4.5480172562 5.4887858284 0.516066573
+C      0.63503536      0.14838804     -0.14473428
+C      2.02042510      0.23212714      0.40769665
+C      3.05594301      0.83426501     -0.20567791
+C      4.42025103      0.92154159      0.33738029
+N      5.29596499      1.85873138      0.13934831
+N      4.80489378     -0.09817671      1.20351245
+O      6.16724560     -0.01951529      1.57280940
+H      0.32070944     -0.90213459     -0.25348168
+H      0.55339006      0.63624454     -1.12521970
+H     -0.08964266      0.61641190      0.54024458
+H      2.18739063     -0.21541543      1.39345979
+H      2.90394010      1.33177445     -1.16896680
+H      4.92952880      2.62226247     -0.43300175
+H      4.61166650     -1.04125412      0.85861845
+H      6.41823827      0.83748961      1.11007218 
+
+15
+-1469.680614132128 11.185268 11.39258 -8.6399 -6.7235 -9.769 0.3574 -1.2418 -0.149 9.15893 0.62199 4.534663964 5.5620987502 0.233119774
+C      1.00598174     -0.00248565     -0.26734868
+C      2.45450769     -0.20643664      0.09753370
+C      2.97328016     -1.42076809      0.35101177
+C      3.33580402      0.99340145      0.16559662
+N      4.58774270      1.09869232     -0.15339755
+N      2.72142468      2.17141164      0.57451575
+O      3.63514125      3.22393981      0.79008343
+H      0.91379830      0.50781070     -1.23729574
+H      0.48027066      0.62771863      0.46642003
+H      0.48134321     -0.96465849     -0.31938776
+H      2.35757302     -2.31882081      0.28664471
+H      4.01654677     -1.54717952      0.64345268
+H      4.95802528      0.24127438     -0.56778300
+H      2.10919210      2.09432235      1.39032800
+H      4.47959842      2.77674791      0.47343605 
+
+15
+-1476.872574007533 12.153352 11.95671 -7.6213 -5.8064 -8.538 1.059 -0.502 -0.065 7.92407 0.69836 4.5207651334 4.5207651334 0.329798068
+C      1.06645093     -0.02304932     -0.11360123
+C      2.56301867      0.09213258      0.06946336
+C      3.28614183     -1.15338606      0.24217264
+C      4.62238650     -1.34418550      0.43717168
+N      5.20266186     -2.57065259      0.66984047
+N      2.98392205      1.32516417      0.03893142
+O      4.40310621      1.42260800      0.20492140
+H      0.61994446      0.97320569     -0.20977430
+H      0.60797785     -0.53897410      0.74418901
+H      0.82902749     -0.60708762     -1.01638801
+H      2.65356304     -2.04885072      0.21823800
+H      5.30713011     -0.50002161      0.47091825
+H      4.65666615     -3.40402299      0.46739664
+H      6.19543703     -2.66331711      0.48733670
+H      4.52251583      2.38633718      0.16167397 
+
+17
+-1612.4404344861878 11.063462 11.76455 -8.6037 -6.6424 -10.109 0.7101 -0.2764 0.657 9.3992 -0.02329 4.8199929458 11.4389111642 0.181157646
+C      0.99117310     -0.31314788      0.09277367
+C      2.48434052      0.01289582     -0.07245251
+C      3.10670671     -0.75563835     -1.24981915
+C      2.69849806      1.50948855     -0.23034579
+N      2.25030453      2.30523370     -1.14673853
+N      3.43237014      2.10368517      0.78107819
+O      3.77908701      3.44834780      0.51628379
+H      0.55854794      0.22377210      0.94761263
+H      0.85162540     -1.39170101      0.25295513
+H      0.42383261     -0.03232438     -0.80717671
+H      2.99836377     -0.29464691      0.85580882
+H      2.61239548     -0.49348790     -2.19690633
+H      2.99393121     -1.83872615     -1.09973243
+H      4.17763031     -0.53355607     -1.35814632
+H      1.64815720      1.83406082     -1.82553344
+H      4.26465785      1.59610509      1.08835946
+H      3.27508816      3.58031961     -0.34266048 
+
+13
+-1345.8814684035892 10.061892 10.83881 -9.9279 -7.8478 -10.714 1.1884 -0.5398 0.151 10.12825 0.54708 5.3602123464 11.9922854794 0.264714271
+C      1.14479951      0.02059136     -0.38142364
+C      2.60137947      0.15207848     -0.07081736
+C      3.58128825     -0.96852484     -0.38788167
+C      2.98290841     -2.14051505     -1.01127080
+N      2.50346909     -3.07938114     -1.51004392
+N      2.99890596      1.24725504      0.47700464
+O      4.39992360      1.22797001      0.71431304
+H      0.61609287      0.93100480     -0.07824636
+H      0.71033523     -0.84463832      0.14171167
+H      0.98818160     -0.15018455     -1.45734444
+H      4.09405377     -1.27182930      0.54017343
+H      4.37929139     -0.57620411     -1.04023345
+H      4.54151086      2.10249761      1.11761886 
+
+17
+-1609.3465976145458 11.265915 12.14356 -9.256 -7.0297 -10.283 1.0258 -0.0765 0.665 9.67213 0.02364 5.5262791948 6.455207104 0.198544454
+C      1.84241021      0.55698092      1.35009774
+C      2.25598629     -0.03657301      0.03439310
+C      3.08678219     -1.29295652      0.02568220
+C      2.23034992     -2.56664132     -0.08881530
+N      3.09435203     -3.75408170     -0.00332147
+N      1.84578202      0.58825160     -1.01672573
+O      2.27772871     -0.05541288     -2.21672203
+H      1.21464010      1.44265646      1.19622538
+H      2.72928975      0.84131824      1.93804594
+H      1.28278633     -0.17831464      1.94994777
+H      3.67956054     -1.35544779      0.95053623
+H      3.78364864     -1.25568075     -0.82616058
+H      1.62792671     -2.50355004     -1.01451327
+H      1.52422869     -2.60758642      0.75650229
+H      3.68935244     -3.80342660     -0.83547108
+H      2.52045589     -4.60041610     -0.01731365
+H      1.92925954      0.55469054     -2.88930753 
+
+13
+-1316.4676469097703 11.545857 12.16243 -8.593 -6.7312 -9.765 0.5593 -1.0902 -0.126 9.09088 0.66389 3.7197535804 10.072932605 0.514120932
+C      0.93249711      0.03649166     -0.00540785
+C      2.38365594      0.03424885     -0.00351868
+C      3.60197509      0.03023075     -0.00841468
+C      5.02852920     -0.01736073     -0.00521697
+N      5.79849659     -1.01980985     -0.30950383
+N      5.66719747      1.17039215      0.32870608
+O      7.05214388      1.00925542      0.53223426
+H      0.54318645      0.69879582     -0.79269023
+H      0.53737748      0.38965182      0.95843165
+H      0.53723039     -0.97371491     -0.18528081
+H      5.26643349     -1.83530818     -0.61807818
+H      5.25956020      1.69090794      1.10801871
+H      7.15445672      0.04840928      0.25506053 
+
+17
+-1607.2579659636979 11.212379 12.05514 -9.37 -7.0941 -10.342 1.1595 -0.2928 0.686 9.71796 0.01399 5.5079416654 6.515402307 0.198124403
+C      1.77997878     -0.21516397      1.54330386
+C      2.21718192      0.21806531      0.13566818
+C      2.95329087      1.53057842      0.11407785
+C      2.21253372      2.81729448      0.40828847
+N      1.90338244      3.50999065     -0.85914928
+N      4.20249836      1.47665088     -0.19616781
+O      4.79497202      2.78133744     -0.21929019
+H      1.21709402     -1.15798946      1.49672790
+H      1.13091134      0.53309522      2.02158830
+H      2.65291158     -0.37050776      2.19311723
+H      1.33117886      0.32247800     -0.51423217
+H      2.86435927     -0.54990634     -0.31131024
+H      2.81837626      3.41414781      1.11620779
+H      1.26030775      2.57536682      0.90266640
+H      2.78395145      3.82803506     -1.27313619
+H      1.36057669      4.35280168     -0.65522177
+H      5.71736467      2.56277574     -0.43681834 
+
+17
+-1612.5145144819467 11.211445 12.06159 -8.6247 -6.6449 -10.137 0.795 -0.2718 0.621 9.43881 0.00369999999998 4.8133472962 8.494652818 0.175635487
+C      1.34093336     -0.58342367      0.17217022
+C      2.80941933     -0.52298967     -0.24658866
+C      3.50648049      0.75894731      0.24393025
+C      4.95814160      0.83470444     -0.16433401
+N      5.46136486      0.96268990     -1.34995038
+N      5.86732044      0.66038707      0.86466223
+O      7.20778502      0.88249140      0.47859350
+H      0.86148604     -1.50193648     -0.19417093
+H      0.77496901      0.27178090     -0.22729199
+H      1.23694516     -0.56815361      1.26784262
+H      2.88909313     -0.57983510     -1.34401258
+H      3.35365588     -1.39559416      0.14794746
+H      3.42540576      0.81534198      1.34301130
+H      2.98509305      1.64270519     -0.15955782
+H      4.74746133      1.01091436     -2.08010127
+H      5.67456754      1.17861723      1.72427786
+H      7.07197801      1.02898293     -0.50610781 
+
+18
+-1728.0704273155789 12.082349 12.97186 -8.7995 -6.8242 -10.051 1.108 -0.0799 0.771 9.4314 -0.06084 5.5221876568 6.3110609804 0.226014998
+C      2.32551249     -0.55592234      1.51957650
+C      2.56590074     -0.07685244      0.07941075
+C      2.73257179      1.41668666     -0.02700532
+C      1.58205887      2.32992232      0.28992041
+N      3.90020870      1.82936218     -0.39237265
+O      3.95078558      3.24734903     -0.44586311
+C      5.26075298      3.62856940     -0.87466902
+H      2.17801998     -1.64479017      1.54468063
+H      1.43368175     -0.08906732      1.96293877
+H      3.18668118     -0.31295079      2.15837479
+H      1.71282794     -0.37967473     -0.55337957
+H      3.46617814     -0.55350418     -0.33351685
+H      0.66506110      1.76376256      0.49318148
+H      1.40455741      3.02085101     -0.54712432
+H      1.81386926      2.95901210      1.16272431
+H      5.24875245      4.72531292     -0.91327701
+H      5.48495479      3.22150362     -1.87277329
+H      6.02593485      3.28780017     -0.15985648 
+
+20
+-1882.2416960976173 11.808919 13.11902 -9.1324 -6.8295 -10.506 0.9505 0.0317 3.013 9.86607 -2.69807 8.6429276754 10.6235916268 0.073659768
+C     -0.95371594      0.05287226      0.32229882
+C      0.53070017      0.03330822     -0.05317430
+C      1.45468959      0.81671245      0.89405403
+C      1.14978232      2.31032071      0.96210947
+N      2.21551974      3.00296381      1.70025213
+O      1.38620136      0.33752705      2.25347694
+C      2.07005655     -0.89013337      2.46286107
+H     -1.53022803     -0.61332313     -0.33512047
+H     -1.38772058      1.05910599      0.23392839
+H     -1.09875912     -0.28317682      1.35886988
+H      0.67567579      0.43684251     -1.06935031
+H      0.88305867     -1.00996441     -0.09874879
+H      2.50084886      0.70820658      0.54193153
+H      0.13986441      2.44441843      1.39707746
+H      1.12195179      2.70378954     -0.06687992
+H      2.24444748      2.61656164      2.64828322
+H      1.98102130      3.99301909      1.79990713
+H      2.04752019     -1.08686549      3.54277820
+H      3.12310099     -0.82574636      2.13048199
+H      1.58836446     -1.73789869      1.94268352 
+
+18
+-1723.502035078424 12.154918 13.00579 -9.0402 -7.0122 -10.366 1.296 -0.2501 0.59 9.8581 0.04259 5.463133125 6.4443831262 0.233131449
+C      3.92328671     -1.06720115     -0.73794834
+C      2.97809982     -0.34436023      0.22317003
+C      2.90083491      1.17650799     -0.01828686
+C      4.18548551      1.88526990      0.27396989
+N      4.78392341      2.54852385     -0.64779584
+O      5.97168880      3.14251954     -0.15973797
+C      6.59350778      3.85839619     -1.23193074
+H      3.93872322     -2.14822544     -0.53982008
+H      4.95327806     -0.69260601     -0.64775249
+H      3.61153873     -0.92059433     -1.78330879
+H      3.28901971     -0.53088116      1.26533466
+H      1.96184061     -0.75945718      0.12913665
+H      2.11556643      1.59903987      0.63311682
+H      2.60986787      1.38699805     -1.05899686
+H      4.61287190      1.82719253      1.28728444
+H      7.49626439      4.30475606     -0.79700493
+H      5.93203886      4.65029118     -1.61575780
+H      6.87051326      3.18006035     -2.05384179 
+
+12
+-1351.3479464649315 10.265532 10.86038 -10.1152 -7.92 -10.03 -0.0844 -1.8346 -0.422 10.35447 1.06965 3.650457805 6.5135797128 0.344791658
+C      0.86519807      0.21965551      0.15855027
+C      2.19626708      0.22691723     -0.03485539
+C      3.02267832     -1.02226921     -0.21651094
+C      3.46985172     -1.29096691     -1.64838664
+O      3.14064288     -0.64306296     -2.61842185
+C      2.90844389      1.46968987     -0.08511360
+N      3.52908381      2.46042746     -0.10057937
+H      0.30382907      1.14614111      0.27018095
+H      0.31457281     -0.72029924      0.20558155
+H      2.45685475     -1.90976996      0.11424582
+H      3.93116893     -0.99565543      0.40967675
+H      4.14546867     -2.17986747     -1.74269756 
+
+12
+-1345.7384556841623 10.156355 10.98411 -10.4184 -8.2353 -10.249 0.2698 -1.7573 -0.677 10.55029 1.30448 3.631735919 6.647013446 0.383435234
+C      1.39893873     -0.46438770     -0.79246476
+C      2.25605383     -0.03731509      0.13596624
+C      3.03556052      1.25039518      0.01863651
+C      2.72983865      2.26193295      1.16076130
+O      1.82092531      2.12455677      1.94363001
+C      4.48332896      1.03208422     -0.02980198
+N      5.63956689      0.87458235     -0.02735022
+H      0.84675989     -1.39515835     -0.66186936
+H      1.21596569      0.09747218     -1.71140480
+H      2.42573412     -0.61021861      1.05035285
+H      2.75472404      1.77829173     -0.91354293
+H      3.41804337      3.14083439      1.18372714 
+
+12
+-1347.6529241649753 10.341389 11.25537 -10.4591 -8.1737 -10.147 -0.719 -2.6889 -1.414 10.49566 1.90581 3.4024982036 6.6782331208 0.457760557
+C      1.32165006     -0.56910794     -0.79147288
+C      2.48172522     -0.55565160     -0.12893998
+C      3.36444230      0.65060471     -0.02019936
+C      4.82422194      0.37993645     -0.32463505
+O      5.31622956     -0.70816817     -0.55622803
+C      5.68273742      1.58719344     -0.30227101
+N      6.35366055      2.54290307     -0.29109241
+H      0.70322157     -1.46620235     -0.82959703
+H      0.94908168      0.31325818     -1.31769646
+H      2.83508601     -1.45768495      0.37708847
+H      3.34828177      1.06744188      1.00663971
+H      3.02204191      1.47595728     -0.66685597 
+
+12
+-1354.979719429744 10.750112 11.13467 -10.1743 -8.1148 -10.182 -1.0068 -2.7108 -1.443 9.70434 2.0559 3.362996264 4.91542497 0.450294112
+C      0.98360307     -0.26481429      0.16542919
+C      2.45382563     -0.03333168      0.15374989
+C      3.12237161      1.14258282     -0.00310703
+C      2.45379092      2.45960876     -0.19612321
+O      3.05194504      3.51182847     -0.33310214
+C      4.55548669      1.14366514      0.01574746
+N      5.72349999      1.13464832      0.03067171
+H      0.72041159     -0.98953013     -0.62135613
+H      0.37719298      0.63473170      0.02591745
+H      0.69385930     -0.73793465      1.11737333
+H      3.06759346     -0.92933095      0.28923156
+H      1.34011970      2.42354649     -0.20727208 
+
+14
+-1486.343056978001 11.06033 11.77272 -10.0095 -7.8854 -9.618 0.0907 -1.5268 -0.188 9.12267 0.73273 5.0297896564 5.2272745572 0.265603855
+C      0.97798588     -0.32957254     -0.26734234
+C      2.44290394     -0.07588105     -0.13838509
+C      3.06794720      1.11689660      0.01617156
+C      2.38597365      2.46671316      0.11735312
+O      2.53521046      3.06149842      1.40955340
+C      4.49722075      1.13546420      0.11891157
+N      5.66428726      1.17569257      0.18856370
+H      0.65712385     -1.07190113      0.48019431
+H      0.75647546     -0.77370773     -1.25122529
+H      0.35984338      0.56812369     -0.15279273
+H      3.07968827     -0.96484303     -0.18064608
+H      1.32475205      2.37380253     -0.16602381
+H      2.85707730      3.17176451     -0.58260694
+H      2.21324055      2.42239980      2.07042462 
+
+12
+-1356.1019819265732 10.807813 11.15707 -10.3849 -8.5632 -10.566 -1.1529 -2.8905 -1.672 9.87763 2.30972 3.241118026 4.9567866996 0.475205423
+C      0.92805657      0.01279487     -0.04267524
+C      2.41260444      0.03694014     -0.12774067
+C      3.19311066      1.08851202      0.19773445
+C      4.65347934      1.07091555      0.09948574
+O      5.38386546      2.01211052      0.38933155
+C      5.26903056     -0.18928885     -0.38810597
+N      5.79128558     -1.16220302     -0.76750625
+H      0.59777044     -0.80086669      0.62269758
+H      0.49348655     -0.21084532     -1.03009827
+H      0.51336621      0.96065111      0.32183273
+H      2.89813980     -0.87883133     -0.48470088
+H      2.77254439      2.02999100      0.55983523 
+
+18
+-1753.3594809215674 12.16055 13.3293 -9.1459 -6.9577 -9.134 0.8294 -0.2122 1.377 8.61011 -0.75179 6.3308987404 6.3308987404 0.393613224
+C      0.68797735      0.68610347      0.43002835
+C      2.17351713      0.64121745      0.61295836
+C      3.06806078      1.27248739     -0.15857068
+C      4.55017857      1.24124464      0.05844896
+O      5.20148139      0.81496917     -1.14085099
+C      5.09393632      2.63173427      0.45036991
+N      6.56532979      2.59468508      0.39038225
+H      0.18775843      1.09196334      1.32413526
+H      0.27851139     -0.32519364      0.27610370
+H      0.40523808      1.30592169     -0.43193893
+H      2.54404465      0.03285248      1.44763058
+H      2.73263462      1.86866215     -1.01614448
+H      4.77668007      0.53474483      0.88704628
+H      6.09997707      1.21222076     -1.06098438
+H      4.68156056      2.92637552      1.43226433
+H      4.74571731      3.36199762     -0.29696171
+H      6.95378064      2.18940559      1.24533060
+H      6.95509584      3.53329819      0.30069260 
+
+14
+-1482.698445096127 10.757341 11.94059 -10.1166 -7.8691 -9.662 0.9342 -0.5634 0.687 9.1385 -0.14618 5.369647681 6.2755761872 0.403219001
+C      0.77543795     -0.01157766      0.02276092
+C      2.26903249     -0.08367661      0.07840653
+C      3.09023318      0.95802971     -0.09189716
+C      4.60341404      0.86104494     -0.01889105
+O      5.11913877     -0.46503864      0.02330836
+C      5.20965222      1.63298636     -1.12907084
+N      5.67822924      2.22297063     -2.01958381
+H      0.33227909     -0.35010158      0.97242896
+H      0.38052334     -0.67833520     -0.75985713
+H      0.42050248      1.00727542     -0.18146538
+H      2.70945798     -1.06467227      0.28619973
+H      2.69521364      1.96030054     -0.28535451
+H      4.95362700      1.33013603      0.91862305
+H      4.88394859     -0.89739168     -0.81986768 
+
+12
+-1354.534277553541 10.374377 10.84968 -10.7451 -8.6688 -10.581 -1.2533 -3.0453 -1.79 10.14665 2.38639 3.2048645196 4.883932526 0.342489184
+C      0.94999379     -0.00592297      0.06475736
+C      2.44597076     -0.05519983     -0.02626088
+C      3.18841187     -1.17122791      0.11817431
+C      3.11767773      1.23951118     -0.29565830
+O      2.52704881      2.30226253     -0.44151511
+C      4.59566201      1.22721539     -0.39189166
+N      5.75881713      1.28164697     -0.47876004
+H      0.63358884      0.68324486      0.86074468
+H      0.53595176     -1.00081411      0.26468138
+H      0.51859932      0.38358658     -0.86844277
+H      2.72345385     -2.13782370      0.31679275
+H      4.27669413     -1.14624899      0.04126827 
+
+18
+-1751.7537783189591 11.748249 12.74991 -9.3222 -7.1221 -9.314 0.7862 -0.3043 1.381 8.679 -0.73992 6.462956229 6.462956229 0.399316058
+C      1.38426553     -0.57219341      0.58414946
+C      2.86978449     -0.55435299      0.34578071
+C      3.64465577     -1.62533717      0.57323097
+C      3.40590550      0.75342817     -0.20214306
+O      2.92856030      1.82796447      0.61542500
+C      4.93369801      0.85600507     -0.31734126
+N      5.26887687      2.25001464     -0.66820614
+H      0.83550183     -0.35578327     -0.34724717
+H      1.10325528      0.21234373      1.30147860
+H      1.05336748     -1.54646166      0.96641496
+H      3.21187763     -2.55929631      0.93757810
+H      4.72258342     -1.62031901      0.40860908
+H      2.98350704      0.86561135     -1.22994687
+H      3.54996157      2.56065960      0.39843602
+H      5.31573092      0.10939321     -1.03605154
+H      5.37366272      0.64446199      0.66880076
+H      5.16156314      2.40546584     -1.67364650
+H      6.24099249      2.45877577     -0.43818113 
+
+14
+-1482.0979136527233 10.600146 11.43268 -10.2471 -8.0336 -9.849 0.7945 -0.8824 0.555 9.24644 -0.07133 5.3453216278 6.39953739 0.44318895
+C      0.88737122      0.07532409      0.23770218
+C      2.36761220     -0.11229396      0.06411043
+C      2.96128335     -1.30723993     -0.05276148
+C      3.21892399      1.15222785      0.01291316
+O      2.87583639      2.03459314     -1.06405588
+C      3.16452549      1.86315986      1.30770044
+N      3.08230260      2.43480152      2.32176022
+H      0.66350265      0.65233728      1.14884528
+H      0.37386405     -0.89110175      0.30777633
+H      0.45402050      0.62182575     -0.61495244
+H      2.38348951     -2.23236098     -0.01948440
+H      4.04090293     -1.40086531     -0.18270044
+H      4.26753247      0.86994410     -0.16790192
+H      2.04028264      2.48276834     -0.83817149 
+
+12
+-1355.9030647728964 11.174101 11.24796 -10.1073 -8.1136 -10.372 -1.3683 -3.1213 -1.779 9.83106 2.1714 3.2353154812 4.7910422148 0.599356786
+C      0.92715445      0.15046568     -0.07893635
+C      2.42118728     -0.03959027     -0.05856395
+C      3.10413626     -1.20980781      0.06791463
+C      2.49389326     -2.53783795      0.21143781
+O      3.16217094     -3.55826727      0.32018003
+C      3.18176583      1.16789960     -0.18954086
+N      3.76538890      2.17610696     -0.29576775
+H      0.62608756      0.82514598      0.73559618
+H      0.38121884     -0.79116556      0.02303492
+H      0.62622187      0.63493495     -1.01897824
+H      4.19609385     -1.20088918      0.06654155
+H      1.37954097     -2.58928514      0.21848203 
+
+14
+-1486.7707123243322 11.179761 11.87577 -10.0108 -7.8856 -9.633 -0.0124 -1.6411 -0.213 9.13644 0.72944 5.0260452792 5.2346393256 0.264334825
+C      0.88800443      0.33297904      0.26730999
+C      2.35426671      0.03998807      0.06081927
+C      2.92529822     -1.17488516     -0.11856911
+C      2.22984554     -2.49843800     -0.19217043
+O      2.63314826     -3.23904375     -1.35317989
+C      3.20987723      1.19129391      0.07943974
+N      3.86997576      2.15717002      0.09800115
+H      0.55278726      1.11775290     -0.42503597
+H      0.71347297      0.70756631      1.28665920
+H      0.26749548     -0.55738717      0.11968322
+H      4.00991945     -1.22218584     -0.25055676
+H      1.13262375     -2.39636156     -0.14429834
+H      2.53593871     -3.12246941      0.66331368
+H      2.41621625     -2.70035936     -2.13538575 
+
+14
+-1493.4415617499335 10.109676 11.13995 -10.2532 -8.1017 -11.228 0.4593 -1.4895 -0.39 10.37957 1.06036 3.6754657812 10.9236377468 0.286800645
+C      0.96145182     -0.04367147      0.02291865
+C      2.50886074      0.00499858     -0.00423113
+C      3.10262545     -0.72329822      1.22626837
+C      2.97321521     -0.75641991     -1.26326732
+O      3.62475346     -0.30832095     -2.17648369
+C      2.96864640      1.39606046     -0.03660157
+N      3.31751701      2.50842024     -0.02979853
+H      0.53361135      0.49080563     -0.83470282
+H      0.58847879      0.41846329      0.94598148
+H      0.62196685     -1.08891109     -0.00386948
+H      2.72854949     -0.26338986      2.14998034
+H      4.19868115     -0.66994589      1.22701426
+H      2.79792787     -1.77949808      1.21625910
+H      2.62777441     -1.82376273     -1.24854764 
+
+16
+-1629.7341254789237 10.529702 11.69821 -10.6439 -8.3827 -11.675 0.7665 -0.2096 1.41 11.20982 -0.99557 5.351421739 12.6622686276 0.124819653
+C      0.96686494      0.02186946     -0.03464525
+C      2.50687827     -0.02651561      0.02457867
+C      2.99526518     -0.75415736      1.29308017
+C      3.04826081     -0.73624812     -1.25389575
+O      4.46363563     -0.79922232     -1.32456599
+C      3.04312503      1.34401701      0.00994573
+N      3.50738473      2.41374669     -0.04736613
+H      0.61618236      0.55587451     -0.92808799
+H      0.55850684      0.52645568      0.85053556
+H      0.57020467     -1.00315619     -0.06013023
+H      2.68428216     -0.21769502      2.19895295
+H      4.08821079     -0.84555143      1.29014820
+H      2.56085381     -1.76390799      1.31867839
+H      2.61673672     -0.24492932     -2.14468866
+H      2.69578018     -1.77884197     -1.23227959
+H      4.79887789      0.10782197     -1.45362008 
+
+14
+-1494.7751661625757 10.195636 11.284 -10.582 -8.5964 -11.448 -0.6248 -2.5706 -1.307 10.41793 1.77767 3.4272954036 7.7980746728 0.173390574
+C      1.05635732     -0.02843703      0.16768239
+C      2.57728288     -0.00451125     -0.09512162
+C      2.97316700     -0.78520447     -1.34593922
+C      3.06659801      1.43055276     -0.16132023
+O      3.59812587      1.96302066     -1.11878559
+C      2.85785156      2.21910353      1.07895591
+N      2.71102001      2.84229690      2.05564030
+H      0.78438403      0.53336429      1.07138658
+H      0.72475770     -1.06654308      0.30094676
+H      0.51073788      0.39889937     -0.68589147
+H      3.07248789     -0.43885697      0.79468257
+H      2.49224557     -0.36256867     -2.23863139
+H      2.65792160     -1.83231908     -1.24668590
+H      4.05778267     -0.76108697     -1.51053909 
+
+20
+-1895.6224729500343 11.839718 13.14128 -9.5116 -7.3048 -10.785 0.778 -0.2049 2.88 10.12217 -2.58272 8.6900795512 10.4183947968 0.082628481
+C      0.97042556     -0.79094689      0.31277948
+C      2.41854271     -0.40141719     -0.00880409
+C      3.16880625     -1.57912907     -0.64524345
+C      2.45236359      0.85352168     -0.89485594
+O      1.73714914      1.90312316     -0.24346578
+C      3.87253284      1.35526954     -1.21103578
+N      3.76926467      2.69581103     -1.82096045
+H      0.42933047      0.04752151      0.76839966
+H      0.94235929     -1.64521434      1.00525999
+H      0.43394406     -1.08481309     -0.60446098
+H      2.92012674     -0.12922399      0.93844026
+H      2.75177222     -1.82365012     -1.63604401
+H      3.07002015     -2.47710549     -0.01804626
+H      4.24315283     -1.38194170     -0.76889279
+H      1.95109749      0.60214275     -1.85956451
+H      2.11480676      2.71825440     -0.64685344
+H      4.41207188      0.62460775     -1.83830109
+H      4.42171828      1.46258742     -0.26159037
+H      3.55015361      2.62033229     -2.81755086
+H      4.65510146      3.19786036     -1.75034960 
+
+16
+-1627.174112167252 10.621168 11.85093 -10.9817 -8.7559 -11.84 0.9507 -0.4183 1.226 11.44031 -0.83408 5.374359149 10.8375170712 0.122698548
+C      0.91941458     -0.03514071      0.01988617
+C      2.44987010     -0.05637775     -0.02296384
+C      2.97038143     -0.80734731     -1.25362868
+C      2.99716401      1.39309394      0.02035850
+O      2.54064510      2.14912712      1.14512627
+C      4.47208762      1.41201242     -0.04103347
+N      5.63884280      1.41771564     -0.04032433
+H      0.54582549      0.52666504      0.88526087
+H      0.52683297     -1.05998413      0.07461344
+H      0.51096782      0.43142528     -0.89072212
+H      2.82761190     -0.56493978      0.88339318
+H      2.63127628     -0.32199942     -2.18245767
+H      2.58561725     -1.83642750     -1.25904722
+H      4.06754199     -0.85667567     -1.27420896
+H      2.62064011      1.93943105     -0.86195348
+H      2.96080055      1.78054177      1.94439133 
+
+14
+-1495.951570344134 10.0879 11.25 -10.1997 -7.9903 -11.279 0.7803 -1.2966 -0.339 10.38998 0.96462 3.6531483012 11.535719433 0.184692924
+C      1.10861602     -0.07651645      0.64359585
+C      2.50035528      0.01662655     -0.00870539
+C      2.50233475     -0.50681406     -1.45700983
+C      3.87343892     -0.83774883     -2.00550915
+O      4.89440905     -0.85858812     -1.34659688
+C      2.99231767      1.39833060      0.03498420
+N      3.34448315      2.50985195      0.06739356
+H      1.13444810      0.30146097      1.67321802
+H      0.77892524     -1.12404948      0.66660146
+H      0.36928764      0.51086795      0.08235743
+H      3.22102947     -0.58844773      0.56677622
+H      2.00576671      0.19773251     -2.14485779
+H      1.91055220     -1.43878484     -1.51566856
+H      3.88604581     -1.09708101     -3.09507915 
+
+16
+-1629.550098686486 10.593638 11.93744 -10.6958 -8.2703 -11.676 0.8442 -0.2162 1.519 11.22376 -1.10362 5.3608322764 11.793300348 0.184475994
+C      1.32584862     -0.15129446      0.96827893
+C      2.49760531      0.01101841     -0.01598736
+C      2.12410051     -0.43978802     -1.44681432
+C      3.29386215     -0.43128793     -2.41835102
+O      4.26508437     -1.37793696     -1.94523181
+C      2.97951113      1.39614874     -0.02373971
+N      3.35068943      2.50249488     -0.04590250
+H      1.61228776      0.15876074      1.98116792
+H      1.01804672     -1.20510543      1.00146950
+H      0.46367347      0.45336060      0.65457046
+H      3.34332856     -0.61302591      0.31833644
+H      1.32289927      0.20522627     -1.84019708
+H      1.72256314     -1.46330856     -1.38072086
+H      3.72815043      0.58301209     -2.47897515
+H      2.93233101     -0.70976976     -3.42508858
+H      5.07383813     -1.27149470     -2.47223485 
+
+10
+-1194.4087454830822 10.676965 11.57409 -10.7875 -8.7253 -10.616 -1.4035 -3.2288 -1.731 10.13782 2.27763 3.3206178492 10.3994125402 0.371006403
+C      0.99775711      0.02639618      0.00021515
+C      2.44305184      0.00062767      0.00011661
+C      3.66212864     -0.04123386      0.00002867
+C      5.09282837     -0.07258287     -0.00007904
+O      5.78031733     -1.08698890     -0.00025660
+C      5.72978864      1.25937233      0.00002841
+N      6.26144058      2.29942150      0.00011722
+H      0.61616631      1.05651637      0.01148203
+H      0.60635733     -0.50215380      0.88175826
+H      0.60701386     -0.48203462     -0.89341072 
+
+16
+-1598.0622319318843 11.792707 13.49834 -9.2011 -6.9965 -9.215 0.7765 -0.2544 2.405 8.79886 -1.94951 4.169091243 9.9994709 0.595794548
+C      0.96629548      0.00306015      0.00539245
+C      2.42099485      0.01174782     -0.01496111
+C      3.63606571     -0.00264385     -0.04935420
+C      5.09563817      0.00325109     -0.04003026
+O      5.61443515     -0.58807417     -1.23436128
+C      5.65463895      1.43855140      0.10359269
+N      7.11431521      1.37802754     -0.07176395
+H      0.55745790      1.02453075      0.01101241
+H      0.58284832     -0.51939123      0.89460283
+H      0.56840701     -0.51145312     -0.88207179
+H      5.43497289     -0.58322978      0.84333044
+H      6.52608698     -0.21647490     -1.27783168
+H      5.32190298      1.87005667      1.06407140
+H      5.23367992      2.04604313     -0.71033314
+H      7.57989695      1.13612553      0.80591417
+H      7.48674353      2.27951297     -0.37091897 
+
+12
+-1325.7809095681155 10.530478 12.10718 -10.4594 -8.1728 -9.847 0.8658 -0.7951 1.015 9.43094 -0.68022 4.1679505718 9.902885806 0.435776003
+C      0.94943727     -0.00384953      0.00999969
+C      2.40141944      0.00020678      0.00216155
+C      3.61649147      0.00189353      0.00157569
+C      5.07962550      0.00142321     -0.03609830
+O      5.62992142     -0.70787182     -1.15156251
+C      5.59337222      1.39350181      0.01783562
+N      6.01745780      2.47956016      0.03917105
+H      0.55420931      1.02214469      0.01399468
+H      0.56176317     -0.52387029      0.89771476
+H      0.55584948     -0.51530737     -0.88037438
+H      5.47456104     -0.52229579      0.85209289
+H      5.21462187     -0.34638538     -1.95740074 
+
+14
+-1494.1527183331518 10.125348 11.27207 -10.3996 -8.2404 -11.348 0.3454 -1.6795 -0.584 10.52629 1.21696 3.6381955896 11.1732339634 0.192967428
+C      1.12504776     -0.59271339     -0.18192410
+C      2.54469392     -0.04594539     -0.04687821
+C      2.59806525      1.49228740      0.02298496
+C      3.99374218      2.04517624      0.39048896
+O      4.86470895      1.36697679      0.88602732
+C      2.12052559      2.14361211     -1.19561413
+N      1.77569293      2.66617951     -2.18032598
+H      1.13994495     -1.69017863     -0.22168671
+H      0.63657945     -0.23114365     -1.09802348
+H      0.49886822     -0.29885606      0.67401874
+H      3.16903513     -0.37596878     -0.89081347
+H      3.02853097     -0.42399200      0.86454571
+H      1.94103273      1.84441046      0.84540368
+H      4.13131197      3.13517539      0.19058670 
+
+20
+-1897.055965582976 11.741745 12.99997 -9.4239 -7.2665 -10.758 0.7538 -0.2449 2.781 10.08888 -2.45428 8.6290784392 10.3708957602 0.102606139
+C      0.99772649     -0.03503859      0.22624446
+C      2.48044196     -0.03761681     -0.15297879
+C      3.06211672      1.33899113     -0.51429283
+C      2.33350406      1.98043639     -1.70815635
+O      2.93490089      2.18386008      0.64108971
+C      4.57264053      1.19029655     -0.81962237
+N      5.21331455      2.51826438     -0.82001116
+H      0.68905849     -1.03018429      0.57692413
+H      0.35295371      0.22624797     -0.62527800
+H      0.80676762      0.68545298      1.03333521
+H      2.65264721     -0.72418337     -1.00006793
+H      3.06866715     -0.42292939      0.69609295
+H      2.36649662      1.33364578     -2.59904687
+H      2.78640096      2.95002906     -1.96359643
+H      1.28366674      2.17258445     -1.45310857
+H      3.66330325      2.83563588      0.52638979
+H      4.71419329      0.62401300     -1.75906304
+H      5.02342754      0.60510610     -0.00374669
+H      5.15720690      2.95608789     -1.74113475
+H      6.20388532      2.44341082     -0.58887245 
+
+16
+-1628.670339620589 10.588583 11.88105 -10.9634 -8.782 -11.809 0.7701 -0.3914 1.294 11.33783 -0.87753 5.3775579878 12.1546203492 0.14125857
+C      0.98176356     -0.17425063      0.02831636
+C      2.50316993     -0.03242905      0.00235400
+C      3.00221197      1.43644384      0.00117150
+C      2.49200818      2.24714424     -1.19491227
+O      2.56335987      2.14613725      1.17367117
+C      4.48639964      1.41137512     -0.02213075
+N      5.65251378      1.37008363     -0.00714070
+H      0.70640709     -1.22945202      0.15900201
+H      0.51959898      0.17199634     -0.90625683
+H      0.54387574      0.39692746      0.85822237
+H      2.92712399     -0.53915129     -0.87912540
+H      2.94402642     -0.53165798      0.88122320
+H      2.77308810      1.76351643     -2.13874321
+H      2.91754326      3.25728291     -1.16986428
+H      1.39968738      2.32613965     -1.13814012
+H      2.94504209      1.70467409      1.95448294 
+
+16
+-1629.2177263233175 10.589438 11.89559 -10.6833 -8.3992 -11.755 0.8362 -0.2971 1.352 11.30642 -0.94439 5.3499959 11.563058346 0.258007722
+C      2.82425319     -0.92044070     -1.02533146
+C      2.45038124     -0.01138544      0.14491430
+C      2.98389748      1.43134964      0.00567296
+C      2.50474150      2.34404703      1.16285649
+O      2.89974329      3.69902952      1.01285521
+C      4.44752981      1.46582485     -0.04727052
+N      5.61317302      1.53034286     -0.03646736
+H      2.41220358     -1.92839482     -0.88056506
+H      3.91500504     -1.01484014     -1.12526049
+H      2.43061891     -0.53063159     -1.97582780
+H      2.82366178     -0.43766404      1.08972272
+H      1.35447456      0.05431816      0.23692878
+H      2.61749064      1.87013454     -0.93908903
+H      2.84852270      1.91913698      2.12388761
+H      1.40505918      2.34511152      1.16416855
+H      3.87074408      3.74118165      1.09458511 
+
+14
+-1494.5004747950877 10.332502 11.69704 -10.6908 -8.6924 -11.521 -0.5784 -2.5696 -1.355 10.47995 1.81851 3.4150207896 12.172759501 0.224305762
+C      0.84375652     -0.46640416     -0.04194016
+C      2.32766642     -0.10170762      0.01580118
+C      2.55361111      1.40610090     -0.05910097
+C      4.00264959      1.82013322     -0.00706162
+O      4.95724593      1.07113778      0.09445676
+C      4.22617543      3.28450422     -0.09147519
+N      4.39184388      4.43857366     -0.15858247
+H      0.70692730     -1.55495020      0.01256726
+H      0.37934493     -0.11900197     -0.97715251
+H      0.28562004     -0.01846950      0.79400850
+H      2.87220479     -0.58728646     -0.80823319
+H      2.77955004     -0.48680487      0.94248068
+H      2.03519159      1.93831067      0.76015269
+H      2.12498242      1.83863434     -0.98218095 
+
+20
+-1896.1582480723098 11.986997 13.56977 -9.5401 -7.3183 -10.806 0.8008 -0.1979 2.958 10.13919 -2.68418 8.709954507 10.6576257838 0.141069202
+C      0.95473241     -0.44094812     -0.15418767
+C      2.46872411     -0.65196253     -0.10117077
+C      3.25053551      0.66396604     -0.04752540
+C      4.76274721      0.47775114      0.00144591
+O      5.19945425     -0.18260926     -1.18712047
+C      5.51258158      1.81052741      0.13977053
+N      6.95498877      1.56132569     -0.03523587
+H      0.41646153     -1.39910053     -0.18951017
+H      0.66474355      0.13631030     -1.04584382
+H      0.59505568      0.11134604      0.72841032
+H      2.80102324     -1.22552758     -0.97995729
+H      2.72742364     -1.26143239      0.78216666
+H      2.93999376      1.24305471      0.84081915
+H      3.00623279      1.27652546     -0.93361201
+H      5.01168481     -0.15088823      0.88758271
+H      6.15122626      0.05862753     -1.24572592
+H      5.24818257      2.29225691      1.10011417
+H      5.18714157      2.47699099     -0.67482635
+H      7.36766851      1.20917066      0.83206117
+H      7.45078824      2.42157577     -0.27117488 
+
+16
+-1626.6296995398468 10.667919 12.04557 -11.0186 -8.8056 -11.898 0.9778 -0.4265 1.219 11.48101 -0.83324 5.3813147636 12.7872465156 0.18071692
+C      1.28896393     -0.47358462     -0.04728175
+C      2.79847673     -0.25968832      0.07999221
+C      3.19090306      1.21722433     -0.02595316
+C      4.70422707      1.47279065      0.07434851
+O      5.06372040      2.83192258     -0.18535181
+C      5.23312571      1.03181564      1.38164392
+N      5.62457630      0.71529260      2.43424823
+H      1.03359791     -1.53950224      0.02874241
+H      0.91185853     -0.10693255     -1.01383120
+H      0.74362724      0.05717882      0.74744802
+H      3.32004826     -0.83100128     -0.70677467
+H      3.14929962     -0.66530968      1.04260635
+H      2.68129023      1.79910771      0.76138980
+H      2.87169785      1.63206367     -0.99497102
+H      5.22390325      0.88915081     -0.70368881
+H      4.68201392      3.38359188      0.52252298 
+
+16
+-1575.7932981097006 12.09724 12.65133 -9.5138 -7.3995 -9.448 1.3527 -0.5484 0.292 8.9026 0.22974 5.3342992724 6.5774820972 0.727576651
+C      0.85167574     -0.15280245      1.15203884
+C      1.64238221     -0.08260592      0.07550167
+C      2.70105553      0.96194723     -0.13995596
+C      4.10214704      0.39017502     -0.33893922
+O      4.10131951     -0.33835508     -1.58616780
+N      5.35908158     -0.93370948     -1.76914370
+C      5.41199748     -1.58325904     -2.87267977
+H      0.09752797     -0.93407144      1.25681487
+H      0.93010188      0.57290174      1.96639925
+H      1.53534657     -0.82745656     -0.71971004
+H      2.73418974      1.64744917      0.72142002
+H      2.45264802      1.57035695     -1.02722539
+H      4.37575427     -0.29413422      0.47975628
+H      4.84982484      1.19814083     -0.39378298
+H      6.35837490     -2.07816636     -3.09054634
+H      4.57032272     -1.65260039     -3.57173972 
+
+16
+-1578.3638944859947 12.437145 13.08469 -9.3172 -7.2047 -9.165 1.4358 -0.4584 0.335 8.61947 0.20141 5.3255458608 6.343061767 0.653270497
+C      0.11586958     -0.18524374     -0.22016309
+C      1.52967938     -0.41956650      0.20947837
+C      2.54840261      0.43120018      0.02442370
+C      3.93619373      0.17786671      0.51088880
+O      4.81969603      0.15317906     -0.64180476
+N      6.14870327      0.26305030     -0.20068290
+C      6.97296215      0.17847490     -1.17859133
+H     -0.22110124     -0.97678099     -0.90853140
+H     -0.00150104      0.78383601     -0.72404142
+H     -0.56942348     -0.21112286      0.64213354
+H      1.73248428     -1.36796939      0.72255874
+H      2.37979214      1.38139700     -0.49472918
+H      4.00336674     -0.78374840      1.04692050
+H      4.28271541      0.97951261      1.18375703
+H      8.02891431      0.26338722     -0.92196433
+H      6.65952612      0.03029790     -2.21866226 
+
+16
+-1578.163327299831 12.130443 12.52931 -9.4764 -7.3476 -9.246 1.3447 -0.5433 0.276 8.61927 0.25363 5.3336049508 6.4363984278 0.673716612
+C      0.71727779      0.26152865      0.13883391
+C      2.08079784     -0.36256703      0.02540797
+C      2.28284462     -1.68819677      0.00502259
+C      3.24264214      0.58351982     -0.11210820
+O      3.27125246      1.44436945      1.05427182
+N      4.10467529      2.54392458      0.79268626
+C      4.22522232      3.29313812      1.82547970
+H      0.67080889      0.93620302      1.00634088
+H     -0.06543613     -0.50063917      0.24348267
+H      0.49287180      0.87430896     -0.74988709
+H      1.44921083     -2.39147798      0.05289177
+H      3.28731946     -2.10895825     -0.06914287
+H      3.12671384      1.22281161     -1.00368772
+H      4.19597815      0.03714479     -0.18917319
+H      4.84994638      4.17840490      1.70352934
+H      3.73872432      3.07959532      2.78434217 
+
+18
+-1726.0446790539256 11.939921 12.58812 -9.2194 -7.2395 -10.685 1.4593 -0.377 0.406 10.21807 0.12134 5.2490960932 6.5458036742 0.422159409
+C      0.81901448     -0.88081886     -0.29203076
+C      2.34490508     -0.81830966     -0.23886030
+C      2.90229133     -1.71685808      0.86633669
+C      2.96460821     -1.13694000     -1.60047463
+O      2.59667156      0.59685913      0.10017724
+N      3.96702240      0.85301562      0.19561137
+C      4.19636842      2.07923893      0.49017170
+H      0.42900961     -0.19539866     -1.05714381
+H      0.38533965     -0.60435906      0.67896245
+H      0.49494340     -1.90063506     -0.54034348
+H      2.45842497     -1.45244249      1.83658716
+H      3.99203501     -1.60714406      0.93754319
+H      2.66933797     -2.76981762      0.65284605
+H      2.56356044     -0.46426318     -2.37180652
+H      2.73489480     -2.17264237     -1.88878791
+H      4.05505135     -1.01780852     -1.56343117
+H      5.24498528      2.36230273      0.58347514
+H      3.40205605      2.81952121      0.64376760 
+
+18
+-1721.7648830274663 12.097127 12.96227 -9.3952 -7.3225 -10.803 1.415 -0.4782 0.343 10.35847 0.17187 5.3166932604 6.5851320334 0.452959896
+C      0.55519786     -0.81812204      0.08638087
+C      2.06829842     -0.63334540     -0.07703643
+C      2.62948472     -1.54800935     -1.17310811
+C      2.43473978      0.81335816     -0.39391720
+O      2.03428049      1.64089233      0.72039100
+N      2.31380610      2.98186410      0.41920783
+C      1.98800767      3.75725873      1.38647509
+H      0.15412770     -0.16297096      0.87094210
+H      0.31512502     -1.85829816      0.35103068
+H      0.03138935     -0.58170272     -0.85408999
+H      2.55875111     -0.89346902      0.87816706
+H      2.17942385     -1.31341240     -2.15111356
+H      2.40718562     -2.60139401     -0.95088894
+H      3.72055099     -1.44624844     -1.26997498
+H      1.91766775      1.16052217     -1.30586758
+H      3.52183034      0.92029680     -0.54653798
+H      2.17357263      4.81989737      1.22991182
+H      1.54823060      3.39768286      2.32434832 
+
+14
+-1423.2164350325422 12.040742 13.23422 -9.4473 -7.2239 -9.22 1.3291 -0.5771 0.287 8.79305 0.25228 4.1875775556 10.4169813564 0.478879846
+C      0.95525880     -0.04461617     -0.00376173
+C      2.40863275     -0.00826572     -0.00027075
+C      3.62304908      0.03153229      0.00302942
+C      5.07440169      0.03870750      0.00434379
+O      5.53621828      1.41114107      0.13252452
+N      6.94188489      1.39021169      0.13947917
+C      7.42253418      2.57298514      0.24620201
+H      0.54283134      0.97516738      0.00851087
+H      0.56593709     -0.57442667      0.87808835
+H      0.57110541     -0.54982574     -0.90218610
+H      5.47313059     -0.38695319     -0.93194432
+H      5.47247431     -0.55251005      0.84616209
+H      8.51004489      2.64685373      0.26026450
+H      6.79899668      3.47144874      0.32047816 
+
+18
+-1724.2131565068114 12.003988 12.8335 -9.2852 -7.2762 -10.721 1.4235 -0.4342 0.367 10.26606 0.15276 5.2929251442 6.54336115 0.419892681
+C      2.39610346     -1.05334266     -0.37173000
+C      1.99165169      0.04909385      0.60822113
+C      2.67254169      1.39118884      0.35067234
+C      2.16181129      2.51145253      1.24679947
+O      4.09568959      1.16850701      0.58230076
+N      4.83734487      2.18724505     -0.02657287
+C      6.09178749      2.06176607      0.20626170
+H      1.87275144     -1.99305863     -0.14598746
+H      3.47646212     -1.24597982     -0.32464484
+H      2.14969862     -0.77312324     -1.40728063
+H      2.21213937     -0.25904771      1.64434359
+H      0.90380233      0.21808558      0.56064952
+H      2.56001151      1.67417933     -0.71058858
+H      2.27190639      2.24005815      2.30725582
+H      1.09911809      2.70996230      1.04579814
+H      2.72662215      3.43412910      1.05939398
+H      6.74051214      2.81018629     -0.24897526
+H      6.51239575      1.25674798      0.82029318 
+
+20
+-1886.0057000607408 11.687759 12.90342 -9.0013 -6.9016 -10.104 0.8076 -0.1446 2.868 9.34617 -2.56139 7.8909525854 10.8318013166 0.121523128
+C      2.38637908     -1.00926477      1.61342307
+C      2.21262580     -0.11645583      0.38040275
+C      2.91062496      1.25979802      0.44456120
+C      2.29697996      2.20886897      1.48639312
+O      2.98157539      3.45599343      1.49157469
+N      4.36489684      1.24228119      0.69064031
+C      5.17706959      0.72465083     -0.41103035
+H      1.87016396     -1.96887534      1.46956399
+H      1.97567437     -0.54924257      2.52338164
+H      3.44539238     -1.24361494      1.80446346
+H      1.13831182      0.05819656      0.20017211
+H      2.57781013     -0.65569386     -0.50891369
+H      2.78322813      1.74813161     -0.53836136
+H      2.32949966      1.74089916      2.49201318
+H      1.24018749      2.40170233      1.24418734
+H      3.91276381      3.19518387      1.30503266
+H      4.55756648      0.70635673      1.54201752
+H      5.03868422      1.36757258     -1.29297811
+H      4.94506887     -0.31610916     -0.71004838
+H      6.23870706      0.76907120     -0.13108514 
+
+18
+-1781.4400770251816 11.508715 12.94258 -9.1783 -7.2485 -10.544 0.7335 -0.2177 0.629 9.49663 0.056 4.351412656 12.0739302604 0.136038482
+C      1.22126907     -0.46234445      1.11890845
+C      2.69051818     -0.60773094      0.72276208
+C      3.12019151      0.41017797     -0.34108621
+C      4.54912648      0.17306704     -0.82174852
+O      4.95134556     -0.94155626     -1.16107541
+N      5.34510558      1.29226719     -0.85445552
+C      6.71623600      1.26371930     -1.33349326
+H      0.94067265     -1.20434099      1.88032955
+H      0.55899829     -0.60827592      0.25135519
+H      1.00992138      0.53568333      1.53399882
+H      2.88618323     -1.61580771      0.32806641
+H      3.33190961     -0.49381490      1.61271304
+H      2.98875566      1.43880742      0.03466794
+H      2.46789212      0.30757050     -1.22518093
+H      4.93871103      2.17937138     -0.57555099
+H      6.95233697      0.21861439     -1.56754079
+H      7.41445749      1.62758442     -0.56505369
+H      6.83733918      1.87068823     -2.24396614 
+
+18
+-1721.1978845144774 12.202358 13.36683 -9.3955 -7.3122 -10.797 1.4538 -0.4586 0.346 10.36701 0.16792 5.325260693 6.5897195154 0.49575264
+C      1.29822443     -1.29630853     -1.50125471
+C      2.47765084     -0.98778360     -0.57715036
+C      2.94973232      0.46580917     -0.68477619
+C      4.12029868      0.76108190      0.23741572
+O      4.47665264      2.14895453      0.05663325
+N      5.55019308      2.46299220      0.90277239
+C      5.89856194      3.69039431      0.77903021
+H      0.97781428     -2.34345432     -1.40598269
+H      1.56277775     -1.12178209     -2.55524826
+H      0.43228858     -0.65866830     -1.26684324
+H      3.31682242     -1.66426569     -0.81306432
+H      2.19367317     -1.20447913      0.46683094
+H      2.11829701      1.14779910     -0.44043619
+H      3.24509461      0.68688285     -1.72401550
+H      4.99216174      0.12989214     -0.00409004
+H      3.85236882      0.59214202      1.29398349
+H      6.72964813      4.01731158      1.40391493
+H      5.40637957      4.38881185      0.09206057 
+
+15
+-1500.6039908593864 11.56246 11.96359 -9.0703 -7.0876 -9.946 0.5391 -1.1161 -0.336 9.41443 0.9305 4.1011841108 5.422465717 0.44761829
+C      0.83733630     -0.25500463     -0.08448258
+C      2.31472129     -0.17166947      0.10017529
+C      3.03694005      0.96018906      0.10936428
+C      4.50654576      0.93055787      0.31051505
+O      5.17412881     -0.09248548      0.50008758
+N      5.10148058      2.18072585      0.28618223
+N      6.51447064      2.26772015      0.21224710
+H      0.58945638     -0.88601263     -0.95315152
+H      0.37866372      0.73261487     -0.22847225
+H      0.36406666     -0.73601935      0.78676113
+H      2.86470037     -1.10847789      0.24293814
+H      2.55049235      1.93301172     -0.02167625
+H      4.62243953      2.92169050     -0.22291963
+H      6.82347615      1.29970508      0.03633543
+H      6.85231141      2.48677435      1.15672600 
+
+15
+-1498.3250348635179 10.898007 11.42768 -9.385 -7.342 -10.025 0.5124 -1.1355 -0.322 9.60173 0.8364 4.1073958094 5.4601202652 0.219675303
+C      0.96269645      0.07107458      0.09732829
+C      2.35934450     -0.47384730      0.00953969
+C      2.67370878     -1.76255483      0.22722919
+C      3.40232767      0.51613678     -0.43232081
+O      3.15421275      1.44358510     -1.20956332
+N      4.66682408      0.32300491      0.08542185
+N      5.66580367      1.30717795     -0.12577329
+H      0.88740034      0.83555583      0.88579950
+H      0.23871976     -0.72537334      0.30738038
+H      0.69738865      0.56947564     -0.84543433
+H      1.90750695     -2.48631708      0.51198997
+H      3.68864132     -2.13949954      0.09398317
+H      4.74309408     -0.15639188      0.97973938
+H      5.15391304      2.14619027     -0.43523761
+H      6.20703796      1.01386291     -0.94742206 
+
+17
+-1641.1306135125872 10.903519 11.83419 -9.3431 -7.2965 -10.534 0.7687 -0.2097 0.48 9.65441 0.19082 4.3383693288 9.671279958 0.145035167
+C      0.81085381     -0.66724792      0.11461389
+C      2.18567626     -0.04439389     -0.16937486
+C      2.97610119     -0.86921324     -1.19698187
+C      1.99934577      1.38007447     -0.69328274
+O      1.36941621      1.64750523     -1.71936330
+N      2.58218103      2.36476776      0.07146078
+N      2.67954865      3.69076840     -0.42345281
+H      0.26495525     -0.10370019      0.88463019
+H      0.92613912     -1.70303033      0.46410549
+H      0.20349614     -0.67178357     -0.80120989
+H      2.75762393     -0.00536501      0.77490439
+H      2.43910944     -0.89020977     -2.15546873
+H      3.09968273     -1.90257598     -0.84250273
+H      3.97571864     -0.44722134     -1.37531697
+H      3.33155976      2.10532490      0.70914193
+H      1.86896569      4.20683508     -0.06189478
+H      2.50728639      3.61007539     -1.43559797 
+
+17
+-1618.910350535375 11.181611 11.77473 -8.7399 -6.7266 -9.27 1.049 -0.1943 0.753 8.79313 -0.08576 4.8987116572 10.9557377222 0.211483889
+C      1.12310456     -0.13509952      0.17687069
+C      2.46118217      0.50121646     -0.07639552
+C      3.66622336     -0.41838446     -0.15951079
+C      4.11790692     -0.72545745     -1.60241697
+O      4.84638484      0.32847636     -2.22579331
+N      2.47448501      1.78296871     -0.23252445
+N      3.69068120      2.39914115     -0.54999370
+H      0.33171737      0.62323610      0.16053313
+H      1.11127163     -0.64682066      1.15289937
+H      0.90123580     -0.90056433     -0.58474447
+H      3.40760951     -1.37089314      0.32918282
+H      4.53092886     -0.01099875      0.39538432
+H      3.23334658     -1.01196829     -2.20495239
+H      4.79929466     -1.59027167     -1.58884862
+H      4.34673612      1.16297416     -2.10218295
+H      3.61002212      3.38712606     -0.31163955
+H      4.50885930      1.99463924     -0.07355759 
+
+13
+-1340.3159484168905 10.928891 11.8023 -9.411 -7.4361 -10.014 0.6828 -1.0272 -0.205 9.55639 0.79271 3.6634267406 10.5977157486 0.471449648
+C      0.95865345     -0.02757808      0.00329365
+C      2.40790000      0.04865028     -0.00425050
+C      3.62530976      0.09762894     -0.00921233
+C      5.07503518     -0.01435035      0.00069663
+O      5.65990300     -1.09435799      0.09566751
+N      5.75005885      1.18276183     -0.10456431
+N      5.18388560      2.46654892     -0.21724488
+H      0.49910680      0.97121253      0.01355658
+H      0.60500044     -0.57757932      0.88782432
+H      0.59605084     -0.56174139     -0.88741296
+H      6.76696777      1.13857659     -0.10072585
+H      4.58647204      2.64249992      0.59623615
+H      4.58521628      2.49758812     -1.04805399 
+
+17
+-1616.0356908648866 11.22227 11.93294 -8.8991 -6.8886 -9.46 1.171 -0.3905 0.675 8.96113 -0.00461000000001 4.8006015354 5.8664347858 0.169032816
+C      1.27110277      0.26578696      1.56882569
+C      1.87549998      0.61662166      0.20023525
+C      2.77239647      1.82447156      0.23030969
+C      2.18402714      3.18872534      0.54080211
+O      2.36108236      4.11234169     -0.53854220
+N      4.01762779      1.65551779     -0.07216907
+N      4.81894230      2.81308393     -0.08627771
+H      0.62021240     -0.61622320      1.48825053
+H      0.66093249      1.08754938      1.97305751
+H      2.06066118      0.03966318      2.30015103
+H      1.05941215      0.80688170     -0.51948508
+H      2.46249263     -0.22938604     -0.18437739
+H      2.62018866      3.58593532      1.48456296
+H      1.10084707      3.11222948      0.70941776
+H      3.28803658      4.00583755     -0.84111166
+H      5.79189923      2.51014706     -0.12548539
+H      4.69151883      3.40327665      0.74782598 
+
+17
+-1640.8609717355105 11.029556 12.1448 -9.3319 -7.2984 -10.555 0.8349 -0.1749 0.427 9.70586 0.23023 4.312047101 9.7265405182 0.18025484
+C      1.36339847     -0.54827896     -0.04829948
+C      2.87767908     -0.34739192      0.00361017
+C      3.28778102      1.10725097     -0.26512195
+C      4.79814363      1.27276899     -0.32695170
+O      5.52859739      0.57775043     -1.03660832
+N      5.31068830      2.26314520      0.48236903
+N      6.65913157      2.67682141      0.33228051
+H      1.09653926     -1.59722449      0.14326998
+H      0.95923270     -0.27615508     -1.03554672
+H      0.84742315      0.06875274      0.70367596
+H      3.37739874     -0.98761578     -0.73840983
+H      3.26337366     -0.65395435      0.98988049
+H      2.84792691      1.77593011      0.49346897
+H      2.88952167      1.42249878     -1.24464560
+H      4.68580748      3.00314126      0.79562094
+H      6.95248583      2.30319253     -0.58155320
+H      7.21265114      2.15152817      1.01891075 
+
+14
+-1418.510532075978 11.007348 11.25304 -8.9563 -7.0318 -10.213 0.2663 -1.417 -0.66 9.72815 1.27993 4.1061807466 5.345594397 0.442336228
+C      0.97481933     -0.16581457     -0.02996782
+C      2.45148209      0.03454795     -0.00155287
+C      3.07615864      1.22319520     -0.06772425
+C      4.54394061      1.31777829     -0.02382040
+O      5.34581109      0.36775321      0.01418910
+N      5.05274909      2.59979639     -0.08256248
+O      6.43319606      2.67647255      0.14497890
+H      0.68806698     -0.80784918     -0.87827186
+H      0.42672352      0.78236444     -0.10980746
+H      0.63631881     -0.69103744      0.87751042
+H      3.08489186     -0.85553666      0.07669577
+H      2.50620526      2.15384816     -0.15627905
+H      4.56391715      3.36910732      0.37487951
+H      6.63733951      1.69708434      0.19227249 
+
+14
+-1416.0606235844937 10.338568 10.75385 -9.1676 -7.1785 -10.243 0.2325 -1.444 -0.662 9.93843 1.20815 4.097427335 5.335303559 0.229395751
+C      1.05449141     -0.08408399      0.49450811
+C      2.30952891     -0.64694667     -0.10973648
+C      2.52861042     -1.95962187     -0.30579070
+C      3.30745032      0.36998061     -0.55270511
+O      3.01904733      1.50264658     -0.97484436
+N      4.63097922     -0.00553975     -0.51231238
+O      5.53078228      1.03264814     -0.79937377
+H      1.27710589      0.49351325      1.40454423
+H      0.34660061     -0.88329462      0.74496089
+H      0.58033389      0.61468086     -0.20944356
+H      1.79488191     -2.70273532      0.01121802
+H      3.42180967     -2.32259246     -0.81536946
+H      4.96954030     -0.58377699      0.25553155
+H      4.87727785      1.75575222     -1.02268698 
+
+16
+-1558.8553594162454 10.295384 11.1643 -9.1951 -7.1826 -10.916 0.714 -0.288 0.119 9.99111 0.54795 4.3373898394 11.6327136808 0.106718319
+C      0.85212589     -0.47966221      0.06607846
+C      2.27063817      0.08319538     -0.11913117
+C      3.06736029     -0.72018498     -1.15941558
+C      2.18735617      1.53762738     -0.55395172
+O      1.65795531      1.93433991     -1.60381904
+N      2.68510375      2.46255005      0.32440341
+O      2.74336327      3.77848327     -0.16707485
+H      0.29819746      0.07340693      0.83704589
+H      0.90018626     -1.53581877      0.36617340
+H      0.29206718     -0.40912426     -0.87644073
+H      2.79632348      0.04022876      0.85144745
+H      2.57867082     -0.65617940     -2.14128718
+H      3.11837087     -1.77711936     -0.86281659
+H      4.09494260     -0.34408500     -1.26479003
+H      3.48705004      2.25243669      0.91625208
+H      2.29340845      3.63725560     -1.04728381 
+
+14
+-1410.7307257276207 10.122036 10.70406 -9.4332 -7.3564 -10.651 0.7292 -1.234 -0.549 10.22395 0.9679 3.6564587274 6.1819047642 0.181628526
+C      1.28907100     -0.17401407     -0.32992883
+C      2.57683811      0.45644967      0.10808106
+C      3.79453968     -0.42339458      0.28382295
+C      4.59454884     -0.46619227     -1.00978767
+O      4.80294223     -1.47944683     -1.64890122
+N      2.57115689      1.73432442      0.28065198
+O      3.85111175      2.22176384      0.66858288
+H      0.51627826      0.59023681     -0.47086053
+H      0.94263200     -0.90307421      0.41886299
+H      1.42955169     -0.72404779     -1.27328544
+H      3.50724187     -1.44764304      0.55336121
+H      4.43937361      0.01338174      1.06342003
+H      4.97569599      0.52641421     -1.35229662
+H      3.66118809      3.16527209      0.81329721 
+
+16
+-1542.5732758612264 10.41898 11.17119 -9.6799 -7.5181 -10.496 1.2115 -0.3727 0.466 9.89264 0.22049 5.587801048 6.4568313206 0.211396927
+C      1.05106200     -0.10905619     -0.11016885
+C      2.36936476      0.59900713      0.01079073
+C      3.62766683     -0.22949515      0.14068892
+C      4.38626633     -0.42094433     -1.18682501
+O      5.14581230      0.71377173     -1.58975870
+N      2.31008521      1.88587689     -0.01652017
+O      3.62018610      2.47525339      0.08016409
+H      0.23289120      0.60775197     -0.24426577
+H      0.85842385     -0.71389141      0.78960379
+H      1.06609701     -0.80100207     -0.96674710
+H      3.34531332     -1.22224948      0.52380671
+H      4.30996943      0.23291559      0.87087671
+H      3.66898368     -0.71391574     -1.97986701
+H      5.09876602     -1.25332520     -1.06844940
+H      4.70583802      1.50827192     -1.22640667
+H      3.40340393      3.42384095      0.06826774 
+
+12
+-1256.1969818908833 10.424794 11.29208 -9.6237 -7.6504 -10.163 0.4572 -1.2692 -0.433 9.74378 1.03199 3.6280907306 10.618285026 0.280210246
+C      0.95500211     -0.03630938      0.02039736
+C      2.40372431      0.01680984      0.05078131
+C      3.61981480      0.06603076      0.07783592
+C      5.05917113     -0.02047446      0.14524217
+O      5.67789814     -1.07312146      0.29311721
+N      5.75071524      1.17533900     -0.05894835
+O      5.09294885      2.39309656      0.25542757
+H      0.52299928      0.66352404      0.75094714
+H      0.59039509     -1.04735909      0.25266153
+H      0.57698152      0.24246343     -0.97443485
+H      6.70078660      1.16462752      0.32033389
+H      4.95372291      2.81047324     -0.61658089 
+
+14
+-1407.1438004559486 10.263721 10.68522 -9.6508 -7.5395 -11.001 -0.5122 -2.4417 -1.624 10.37546 1.95069 3.0654422626 5.352227648 0.262003204
+C      1.18265370     -0.55961498      0.26568950
+C      2.40760958      0.28597058     -0.11791616
+C      2.16279281      1.76425417      0.02589389
+C      2.16323231      2.36930666      1.38906353
+O      2.41776487      1.71454299      2.39149539
+N      1.96106760      2.43064795     -1.07063260
+O      1.72091741      3.80068980     -0.86352833
+H      1.40912263     -1.62885758      0.15216632
+H      0.32594574     -0.32231657     -0.38105329
+H      0.89085974     -0.38541529      1.30992431
+H      2.69644750      0.08849273     -1.15926962
+H      3.25532954      0.01687290      0.53042315
+H      1.92703619      3.45238921      1.44908770
+H      1.60172037      4.11688745     -1.77668379 
+
+16
+-1540.417475794601 10.494789 11.34524 -9.6844 -7.6507 -10.591 1.1447 -0.4891 0.45 9.97388 0.24286 5.5029698268 6.5205601246 0.202653446
+C      1.93716780     -0.32466732      1.43434486
+C      2.41475120      0.09644742      0.03567096
+C      3.04212773      1.46398094      0.01339301
+C      2.20755807      2.69333534      0.32553215
+O      2.17015147      3.62922003     -0.75259915
+N      4.29306709      1.51080456     -0.29134441
+O      4.77829465      2.86517382     -0.26872429
+H      1.46410294     -1.31556381      1.39467501
+H      1.19794099      0.37760570      1.84661636
+H      2.78180019     -0.37751203      2.13568155
+H      1.55844720      0.10275748     -0.66076677
+H      3.14598012     -0.62801270     -0.34989488
+H      2.59804518      3.15964789      1.25088830
+H      1.16530888      2.40029771      0.51257075
+H      3.10239149      3.86574382     -0.92382469
+H      5.70822499      2.74032116     -0.52447875 
+
+16
+-1557.6695118937243 10.346245 11.465 -9.2095 -7.1384 -10.997 0.8756 -0.2861 0.02 10.09734 0.63989 4.2860224396 11.3837497928 0.153458435
+C      3.05147680     -1.19197572      0.19151266
+C      3.87453253     -0.38449623     -0.81211877
+C      3.83043952      1.11669742     -0.51970333
+C      4.64126233      1.93761593     -1.50768442
+O      5.27020020      1.48018586     -2.47244869
+N      4.71356297      3.28545851     -1.25239203
+O      5.30845075      4.04797159     -2.27788295
+H      3.09447249     -2.26595073     -0.03718042
+H      1.99205215     -0.89200974      0.17850606
+H      3.42235082     -1.05599125      1.21921748
+H      3.51132405     -0.56145614     -1.83556500
+H      4.92268802     -0.71915770     -0.80483608
+H      4.20571883      1.32124880      0.49713319
+H      2.78504288      1.47373965     -0.53570879
+H      3.91739610      3.77972859     -0.85206215
+H      5.59659958      3.30644116     -2.87976677 
+
+12
+-1330.6713937720249 10.082959 10.95364 -10.5468 -8.4186 -10.189 -0.2195 -1.9536 -0.39 9.67988 0.88656 5.037923138 11.0710571008 0.413887396
+C      0.97411669     -0.02052530      0.13681166
+C      2.31422389     -0.02403252      0.01382441
+C      3.02745362     -1.25421241     -0.16744424
+N      3.63825205     -2.23707821     -0.33351113
+C      3.15762638      1.21823362      0.01358057
+C      2.82263832      2.38589742      0.84327864
+O      3.89076899      1.49666924      1.22423073
+H      0.42866007      0.91643637      0.24562306
+H      0.40096665     -0.94697104      0.12315782
+H      3.74332595      1.37269577     -0.90106863
+H      1.94229119      2.35395850      1.49256607
+H      3.13796621      3.38060856      0.51224105 
+
+18
+-1740.911918928031 11.089272 12.21999 -9.2467 -7.0844 -10.626 0.7989 -0.1641 2.578 9.91512 -2.23323 8.1458058084 11.5116537504 0.265419391
+C      1.11695212      0.23835806      0.07439773
+C      2.61680829     -0.11879645     -0.00526379
+C      3.03226390     -0.97572022      1.19509116
+N      2.96556468     -0.87470310     -1.23076055
+C      3.40145975      1.19308844     -0.07771562
+C      3.82183697      1.98024586      1.09270928
+O      4.77927764      1.21904218      0.32724928
+H      0.81232919      0.85250423     -0.78756112
+H      0.87644996      0.79821284      0.99154090
+H      0.50857578     -0.67858779      0.06512854
+H      2.75568249     -0.50247729      2.14711693
+H      4.11515190     -1.15053297      1.17969070
+H      2.51803097     -1.94759666      1.15209171
+H      2.65036386     -0.35710804     -2.05716995
+H      2.44985710     -1.75956135     -1.23850979
+H      3.21226483      1.75472748     -1.00558741
+H      3.63259481      1.60243208      2.10259066
+H      3.91125578      3.06868269      1.00553133 
+
+14
+-1476.1632545606851 9.988128 11.3746 -10.6101 -8.4388 -11.721 0.6972 -0.347 1.385 11.25235 -0.99672 5.3725489534 11.062960815 0.236690238
+C      1.07809206      0.18533225     -0.00949407
+C      2.58835131     -0.11167718     -0.09941081
+C      2.88467064     -0.93429900     -1.27784800
+N      3.09543716     -1.57849816     -2.22700831
+C      3.40638651      1.17584051     -0.13227020
+C      3.85130816      1.81126016      1.11802683
+O      4.77626187      1.08826192      0.28026161
+H      0.86584430      0.75710496      0.90322441
+H      0.50069166     -0.74674547      0.01599364
+H      0.74290308      0.77040205     -0.87630403
+H      2.90953278     -0.68663484      0.78549858
+H      3.23588797      1.80815057     -1.01254536
+H      3.61856455      1.33243024      2.07601888
+H      3.99820796      2.89533200      1.15121683 
+
+18
+-1740.4603089065445 11.162521 12.5758 -9.3381 -7.0317 -10.648 0.9545 0.0052 2.718 9.99407 -2.40212 8.6501064648 11.034630014 0.23449363
+C      1.20109601      0.15356206      0.19490739
+C      2.67742053     -0.07626268     -0.14972069
+C      2.85066066     -0.94524309     -1.40891140
+N      2.30704587     -2.29720339     -1.19690944
+C      3.39468702      1.24392953     -0.33006043
+C      4.09641982      1.92001045      0.77332643
+O      4.83919625      1.23323897     -0.25473972
+H      1.08857136      0.67283363      1.15739580
+H      0.67504142     -0.80829666      0.24551786
+H      0.71002417      0.76517634     -0.57915620
+H      3.16932919     -0.60073776      0.69057697
+H      3.91918561     -0.93139529     -1.69715733
+H      2.28620537     -0.48369973     -2.23766858
+H      2.93052723     -2.82153609     -0.57666408
+H      2.29777603     -2.80843931     -2.08188879
+H      3.00614053      1.87924902     -1.13985168
+H      4.11895344      1.44271397      1.75975147
+H      4.19717949      3.01070001      0.77129242 
+
+18
+-1741.207891851008 11.092387 12.40675 -9.1835 -6.9932 -10.489 0.9285 -0.0059 2.747 9.84617 -2.42693 8.1988966136 11.685184556 0.195019335
+C      2.94660213     -1.03917364     -0.98226864
+C      2.43472828     -0.12648485      0.13623207
+C      3.07693874      1.27981655      0.18481773
+N      2.43413129      2.20001622      1.13118702
+C      4.56364782      1.19438194      0.49327524
+C      5.30028001      2.25622247      1.19427968
+O      4.92189465      1.04011622      1.88714850
+H      2.36747384     -1.97242769     -1.02115634
+H      4.00052786     -1.31798613     -0.84098210
+H      2.85674493     -0.55320080     -1.96644713
+H      2.57952325     -0.60907024      1.11796560
+H      1.34705132      0.01319443      0.01621584
+H      2.99310052      1.72826334     -0.82425139
+H      2.54206770      1.81875104      2.07681245
+H      1.43053355      2.23642621      0.94246141
+H      5.13751299      0.54576923     -0.17938777
+H      4.75368468      3.14967928      1.50631143
+H      6.37569644      2.36616642      1.01848641 
+
+20
+-1887.8602035615145 12.049741 13.54622 -9.0797 -6.9658 -10.249 0.8627 -0.0844 3.114 9.48775 -2.92812 8.1419374452 11.0817694912 0.143440549
+C      1.40507293     -0.97826264      1.81182614
+C      2.90322339     -0.70708350      1.66795928
+C      3.22633283      0.20211156      0.48399384
+N      4.66997882      0.41717054      0.34732806
+C      5.04405619      1.29698286     -0.76616590
+C      6.55334284      1.20448405     -0.97704358
+O      6.95746768     -0.15119045     -1.14405772
+H      1.19953035     -1.63087353      2.67157054
+H      1.00223096     -1.47303992      0.91492523
+H      0.83989418     -0.04530313      1.95897781
+H      3.45350967     -1.65369556      1.54506885
+H      3.28452600     -0.24324389      2.59492734
+H      2.66493946      1.15687306      0.58795991
+H      2.87066128     -0.26758736     -0.44931607
+H      5.02905449      0.81590371      1.22126219
+H      4.73725987      2.35440816     -0.62345578
+H      4.53398563      0.92197733     -1.66853718
+H      7.07822288      1.66925295     -0.11574248
+H      6.84843097      1.75809420     -1.88127784
+H      6.36803959     -0.64446845     -0.53257264 
+
+16
+-1607.898689309904 11.65078 12.7078 -9.3357 -7.2099 -9.912 0.9315 -1.0827 -0.059 10.12493 0.67853 3.6606618528 6.736345359 0.473503806
+C      0.86148603     -0.94160017     -1.13737775
+C      1.81438373     -0.59743919     -0.26452378
+C      2.46927959      0.75178369     -0.21496823
+N      3.92942404      0.62357062     -0.31846835
+C      4.63624869      1.89530807     -0.23594479
+C      6.12902865      1.68240864     -0.06328086
+O      6.98363750      2.44117442     -0.47854568
+H      0.40756253     -1.93338102     -1.12631242
+H      0.49642486     -0.23565581     -1.88804333
+H      2.17378685     -1.32286991      0.47278210
+H      2.25722447      1.22388001      0.76194269
+H      2.02735597      1.41143766     -0.99149007
+H      4.15367693      0.16106019     -1.20379365
+H      4.30328739      2.41056674      0.68586654
+H      4.46527602      2.60185130     -1.07265382
+H      6.39027673      0.75205477      0.50490139 
+
+16
+-1635.0898264949944 12.105188 12.51019 -8.4015 -6.4632 -8.88 1.4108 -0.2665 0.124 8.37983 0.54648 4.2770458532 4.9731652502 0.396144158
+C      0.72884724      0.68239053     -0.12634614
+C      2.00906782     -0.02851165      0.19329832
+C      3.21904272      0.54597737      0.07442605
+N      4.45330183     -0.05502278      0.35286952
+C      4.51952088     -1.43402626      0.81710600
+C      5.62625516      0.66106584      0.18928950
+O      6.75247928      0.23352515      0.40456664
+H      0.16957437      0.16499225     -0.92251634
+H      0.91013492      1.71412043     -0.45915752
+H      0.06204733      0.72346964      0.74999075
+H      1.92882350     -1.06281589      0.53695550
+H      3.31224105      1.58048527     -0.26809626
+H      4.07502874     -2.10928665      0.07132186
+H      3.97830292     -1.54337452      1.76846502
+H      5.57654851     -1.68160819      0.96026668
+H      5.42645373      1.69549946     -0.16843959 
+
+16
+-1644.781422442175 12.311013 12.87075 -8.3531 -6.3813 -8.744 1.2922 -0.3026 0.327 8.2602 0.39711 4.290907488 5.0695023722 0.307814094
+C      0.74694488      0.02901021      0.01895689
+C      2.22463208     -0.07398691      0.23754678
+C      3.09970499      0.88470058     -0.10729355
+N      4.48158812      0.80639078      0.09378178
+C      5.35966283      1.81804345     -0.26498893
+C      6.81511396      1.55234440      0.07171277
+O      4.98353183      2.85657168     -0.80266930
+H      0.37682087     -0.78356096     -0.62702457
+H      0.47721275      0.98422793     -0.45201993
+H      0.19340602     -0.04821336      0.96887141
+H      2.59494754     -0.99216752      0.70892108
+H      2.79898797      1.82140488     -0.57996562
+H      4.85850106     -0.02941476      0.53321565
+H      7.01329520      0.53166574      0.42432410
+H      7.13001364      2.26222926      0.84902176
+H      7.42354627      1.75261460     -0.81895032 
+
+16
+-1643.0284186048655 11.86384 12.27915 -8.4791 -6.5211 -8.922 1.2052 -0.3803 0.24 8.30162 0.44001 4.2321753198 5.2275225292 0.303254249
+C      1.23701920     -0.06572772     -0.96901184
+C      1.96800938     -0.54304533      0.25219734
+C      1.87615615     -1.80869089      0.70777120
+N      2.77881194      0.37457984      0.95792145
+C      3.07554714      1.70044421      0.67730882
+C      4.02461300      2.34366950      1.67897405
+O      2.63979564      2.32191458     -0.28731785
+H      1.93156152      0.30366988     -1.73433980
+H      0.56865848      0.77274268     -0.73333577
+H      0.64926105     -0.89575600     -1.37888577
+H      1.25349578     -2.53331710      0.18814559
+H      2.41147050     -2.14770395      1.59644873
+H      3.22434904     -0.00855970      1.78808463
+H      4.20296335      1.74762036      2.58387513
+H      3.61319145      3.31936772      1.96521297
+H      4.98696641      2.52650192      1.18047111 
+
+20
+-1888.9870907695329 11.961756 13.14168 -9.0339 -6.9702 -10.224 0.8259 -0.113 3.129 9.44747 -2.87291 8.1045680648 12.1740117596 0.11502141
+C     -0.06998160     -0.77231946      1.00456698
+C      1.24862745     -0.89919645      0.23776485
+C      1.51784461     -2.35399886     -0.14667539
+N      1.21732851     -0.08319009     -0.99326054
+C      1.37368304      1.36432244     -0.79935857
+C      1.03913695      2.06693542     -2.11343579
+O     -0.25593853      1.69088048     -2.57081948
+H     -0.28447787      0.26625069      1.29053138
+H     -0.03347136     -1.36791360      1.92786194
+H     -0.90473242     -1.13453804      0.38600294
+H      2.07172781     -0.56029716      0.90504511
+H      0.72978283     -2.72415647     -0.82003246
+H      1.53894427     -2.99503693      0.74519020
+H      2.48681824     -2.46071981     -0.65849398
+H      1.96799244     -0.40714068     -1.61117347
+H      2.38623721      1.65697043     -0.45017935
+H      0.65163544      1.69031017     -0.03584746
+H      1.81264517      1.82281460     -2.87234906
+H      1.04389714      3.15888565     -1.97706352
+H     -0.31811932      0.74057766     -2.33099434 
+
+20
+-1896.2251645038243 11.737598 12.7517 -9.3964 -7.17 -10.481 0.7062 -0.2793 2.697 9.87371 -2.37947 8.2329307706 11.2832095454 0.108435724
+C      0.98813887     -0.20590848     -0.04678355
+C      2.52525799     -0.23017851      0.03286190
+C      2.96276987     -1.08355419      1.23118830
+N      3.13069866     -0.83878118     -1.18898208
+C      3.05303234      1.22204333      0.14286784
+C      4.57400602      1.37541628      0.24747319
+O      5.27282679      0.90283329     -0.90070047
+H      0.65075460      0.39712199     -0.90394967
+H      0.54507948      0.22773114      0.86285269
+H      0.58775646     -1.22459894     -0.16585256
+H      2.60735495     -0.64323006      2.17334537
+H      4.05560379     -1.17834104      1.28176632
+H      2.53830914     -2.09701294      1.15619138
+H      2.71190026     -0.41467185     -2.02309010
+H      2.89599098     -1.83521167     -1.22732405
+H      2.58825224      1.69402421      1.02504433
+H      2.70307574      1.78739992     -0.73916265
+H      4.93891430      0.87488979      1.16761389
+H      4.81770019      2.44480506      0.35555827
+H      4.80151733      0.07069386     -1.15497836 
+
+18
+-1772.7440937461188 11.349914 12.29564 -8.9995 -7.0733 -10.06 0.7489 -0.174 0.463 9.68482 0.16603 4.3302234486 12.3901317562 0.29668413
+C      1.03415501     -0.16986652     -0.05676268
+C      2.51937804      0.12566295     -0.29033290
+C      3.32579782     -1.14034928     -0.59916040
+N      2.71133138      1.15744924     -1.32872304
+C      2.28406354      0.90477055     -2.69468790
+C      3.29890489      2.34909473     -0.99182061
+O      3.69789889      2.66781095      0.12532068
+H      0.48091057      0.75367583      0.16275605
+H      0.92076885     -0.84639842      0.80206470
+H      0.56749352     -0.66095049     -0.92423358
+H      2.93228039      0.59457781      0.61525848
+H      2.95089267     -1.66175004     -1.49291987
+H      3.25383238     -1.84192938      0.24383383
+H      4.38689143     -0.90079270     -0.75299820
+H      2.81632465      0.04748144     -3.13553203
+H      2.50419241      1.79155067     -3.30350104
+H      1.20154090      0.71251861     -2.75197917
+H      3.38041267      3.02884408     -1.87221233 
+
+18
+-1784.9122998485052 11.458414 12.67171 -9.1087 -7.1657 -10.394 0.709 -0.2345 0.625 9.503 0.04659 4.34942888 12.294389767 0.19827722
+C      0.94472992     -0.35705414     -0.03352109
+C      2.47192747     -0.33050458     -0.09948940
+C      3.03266572     -1.34322877     -1.10526870
+N      2.93179466      1.02878792     -0.40055628
+C      4.10774161      1.53703394      0.09224667
+C      4.47374997      2.92916015     -0.39774299
+O      4.82096405      0.91803506      0.88448593
+H      0.56772047      0.34476808      0.72313813
+H      0.59069541     -1.36491658      0.22353994
+H      0.49996521     -0.09109569     -1.00668601
+H      2.89088946     -0.55695045      0.89277505
+H      2.65663606     -1.13953238     -2.12000849
+H      2.73571709     -2.36619955     -0.83196519
+H      4.12937432     -1.29635213     -1.12121007
+H      2.43409597      1.55526332     -1.11358883
+H      5.41614899      2.86515440     -0.95822287
+H      4.65761506      3.56913377      0.47494970
+H      3.70975855      3.39594763     -1.03371549 
+
+18
+-1754.5772043998809 11.565119 12.79051 -9.1796 -7.0897 -10.607 1.045 -0.9681 -0.009 10.08896 0.62475 3.6657948732 11.8445437618 0.125737874
+C      0.65209533     -0.55106580      0.17663538
+C      2.14030589     -0.63726675     -0.16013984
+C      2.43664432     -1.86897872     -1.01894539
+N      2.53041194      0.59866636     -0.87020142
+C      3.96576253      0.84787122     -0.92915689
+C      4.28035952      1.99423686     -1.87113347
+O      5.19563022      2.78078643     -1.71717519
+H      0.43841346      0.31188099      0.82608323
+H      0.31960743     -1.45534243      0.70417460
+H      0.05708756     -0.44623627     -0.74304118
+H      2.70510571     -0.73649131      0.79371434
+H      1.87154193     -1.81920917     -1.96145711
+H      2.14960932     -2.78471820     -0.48284793
+H      3.50441305     -1.95873950     -1.26397633
+H      2.07981629      1.38956870     -0.40244625
+H      4.45914090     -0.03442643     -1.37749854
+H      4.46360854      1.03067008      0.04445534
+H      3.59039607      2.05782391     -2.75205335 
+
+14
+-1501.9848792609696 10.082793 11.14052 -9.9325 -7.9201 -10.969 0.513 -1.2937 -0.223 10.0523 0.97424 3.7292385094 11.3207773034 0.291438476
+C      0.96689657     -0.32404654      0.08333192
+C      2.46485566      0.01736523     -0.08432150
+C      3.05595972     -0.69462454     -1.21364536
+N      3.52171372     -1.25727120     -2.12411089
+C      2.64832474      1.56865514     -0.14483330
+C      3.20186350      2.18031334     -1.40146055
+O      2.31879493      2.21659412      0.83176586
+H      0.57565344      0.22792627      0.94593861
+H      0.83685671     -1.39993097      0.25031121
+H      0.39872005     -0.04106996     -0.81252604
+H      3.00092163     -0.29804140      0.82692789
+H      2.59880419      1.87766204     -2.27113333
+H      4.21589675      1.79679188     -1.59224974
+H      3.21998840      3.27064660     -1.30827478 
+
+20
+-1889.288513588419 11.76037 13.02732 -9.2323 -6.9634 -10.627 0.8524 -0.138 2.963 9.9763 -2.68653 8.7125954088 10.7262892306 0.105616783
+C      1.25128293     -0.11031841      0.75826563
+C      2.40310398     -0.14689721     -0.25511402
+C      2.22514985     -1.29726622     -1.26417214
+N      1.03267706     -1.11800323     -2.11096901
+C      2.56738180      1.22268759     -0.93835604
+C      3.83573507      1.38598929     -1.77265903
+O      5.05079687      1.18228050     -1.03131170
+H      1.43695433      0.64022925      1.54103326
+H      1.12153057     -1.08475788      1.25460630
+H      0.29800502      0.15756280      0.27485274
+H      3.33630216     -0.36451689      0.29331060
+H      2.22826861     -2.25083681     -0.69701347
+H      3.10180941     -1.33324860     -1.92922107
+H      0.18623083     -1.32738630     -1.57643710
+H      1.05012732     -1.78783830     -2.88178490
+H      2.54851652      2.01294552     -0.16489192
+H      1.69945602      1.40326965     -1.59494805
+H      3.83564798      2.38331550     -2.25112155
+H      3.86995029      0.64354449     -2.58396849
+H      5.08280340      1.86075525     -0.33369004 
+
+18
+-1749.9785247713996 11.781327 12.55689 -9.0773 -6.9736 -9.025 0.7764 -0.3678 1.246 8.42553 -0.57267 6.0472559682 6.0472559682 0.322290408
+C      0.93870678      0.00358159      0.11067097
+C      2.44270528     -0.01411871      0.05328619
+C      3.09943913     -1.38155360     -0.02463850
+N      3.70459948     -1.60815244     -1.36478657
+C      3.17642876      1.11614179      0.02860738
+C      4.68373252      1.16104427     -0.07207722
+O      5.17503249      0.83848368     -1.37765740
+H      0.54663973      1.02913056      0.12261618
+H      0.57054326     -0.51494968      1.01161258
+H      0.49556694     -0.52110193     -0.75292368
+H      2.36109256     -2.15858215      0.24554646
+H      3.91964533     -1.44736607      0.70899489
+H      2.97157359     -1.59270641     -2.08013167
+H      4.12549188     -2.54097947     -1.40078185
+H      2.64712090      2.07472328      0.03473869
+H      5.12896840      0.48967893      0.69231194
+H      5.04171940      2.17659005      0.14996275
+H      4.79185357     -0.05495369     -1.57741113 
+
+20
+-1895.1491613482885 11.827166 13.10206 -9.3887 -7.166 -10.48 0.7433 -0.2284 2.8 9.88654 -2.52809 8.3664140982 12.5264419646 0.081645282
+C      0.43846120      0.91533979     -0.45565200
+C      1.63704659      0.50548123      0.40181719
+C      2.81992665      1.49042206      0.35655465
+N      2.49372854      2.85977301      0.83086126
+C      4.02981882      0.96342994      1.14347407
+C      5.29327599      1.81478644      0.98089465
+O      5.17486985      3.11722596      1.54571451
+H     -0.36370153      0.16634929     -0.39836140
+H      0.72214800      1.01721151     -1.51485712
+H      0.00711107      1.87413006     -0.12951270
+H      1.99778617     -0.48402660      0.07401006
+H      1.32286671      0.38317031      1.45437315
+H      3.13097174      1.60620118     -0.69920964
+H      2.04981910      2.80304802      1.75421476
+H      1.81061979      3.29904321      0.20956251
+H      4.24752098     -0.06412381      0.80700090
+H      3.77229824      0.90082318      2.21643025
+H      5.55081440      1.87138514     -0.09899063
+H      6.13961714      1.32265575      1.48653819
+H      4.27331057      3.42027434      1.27448736 
+
+16
+-1633.4374883434211 12.274373 12.42942 -8.4181 -6.5692 -9.093 0.3394 -1.2385 -0.561 8.44303 1.25626 3.5086302196 4.488045228 0.476405216
+C      2.28033060      0.01313567      1.52368437
+C      2.89551158      0.26947436      0.13710606
+C      3.14883182      1.73364816     -0.13474407
+N      2.02595861      2.45861519     -0.44085214
+C      4.42381781      2.24706323     -0.08395091
+C      4.77483172      3.63420552     -0.25403905
+O      5.91842976      4.09197329     -0.20325037
+H      2.12787230     -1.06327912      1.68120576
+H      1.30395734      0.50574845      1.64167857
+H      2.94192017      0.38623925      2.31753540
+H      2.23069220     -0.13135624     -0.64676801
+H      3.84899132     -0.26838847      0.05204796
+H      1.11877150      2.06070285     -0.22670525
+H      2.06965368      3.47210970     -0.45845633
+H      5.24757745      1.55912807      0.11000575
+H      3.91840213      4.34252008     -0.44166773 
+
+20
+-1897.1729915328374 11.792319 13.08035 -9.4267 -7.2415 -10.663 0.7594 -0.2073 2.774 9.96834 -2.48231 8.4127104706 10.7323025516 0.107881132
+C      0.95141654     -0.07545562      0.27333415
+C      2.47931650     -0.05703673      0.35730886
+C      3.11102016      1.28696523     -0.03804264
+N      2.69381878      2.43486473      0.79859291
+C      4.65900078      1.26532119     -0.01492824
+C      5.28389178      0.34205211     -1.05173274
+O      5.14794041      2.58514397     -0.25105630
+H      0.55235362     -1.06321929      0.54377841
+H      0.60685040      0.15386735     -0.74711256
+H      0.49446680      0.65823830      0.95439105
+H      2.88288634     -0.84838345     -0.29415936
+H      2.80102897     -0.31000962      1.38410271
+H      2.81173316      1.53731706     -1.07238936
+H      2.70352924      2.17077162      1.78907649
+H      1.73944446      2.72194565      0.57831633
+H      4.97226023      0.92667504      0.99955124
+H      4.92367890      0.59482258     -2.06040295
+H      5.06372585     -0.71408551     -0.84615984
+H      6.37473417      0.46955394     -1.04005123
+H      4.46346290      3.15619143      0.16899309 
+
+18
+-1752.6747461828832 11.310595 12.48174 -8.7597 -6.623 -10.1 0.8777 -1.0332 -0.043 9.46267 0.68306 3.620763158 11.2831723496 0.115990772
+C      2.01313293     -1.17349964     -0.57459508
+C      3.08278273     -0.86032137      0.47439080
+C      3.80578975      0.50088924      0.30386988
+N      4.65003454      0.77084696      1.46057424
+C      5.11149546      2.16184562      1.53898158
+C      4.54425558      0.51773661     -1.03403436
+O      5.75370405      0.41497069     -1.14200620
+H      1.48769640     -2.10374021     -0.31742325
+H      2.43333601     -1.30626995     -1.58165708
+H      1.25887950     -0.37344808     -0.62831274
+H      3.84515627     -1.65752543      0.48840084
+H      2.63736320     -0.83699179      1.47993577
+H      3.02662972      1.28614424      0.25188624
+H      5.47036067      0.15975590      1.40158728
+H      4.24153306      2.82250011      1.67680517
+H      5.67933401      2.51170588      0.65606870
+H      5.75247756      2.27426616      2.42413692
+H      3.90095855      0.60910505     -1.94771871 
+
+18
+-1772.374477119165 11.476679 12.55495 -8.9399 -7.072 -10.084 0.7782 -0.1614 0.457 9.74104 0.15898 4.3542271382 12.768016287 0.245136649
+C      1.17019108     -0.34475358      0.12534333
+C      2.20626377     -1.07871346      0.97763724
+C      3.61705770     -0.51144805      0.77470114
+N      4.64223772     -1.18939259      1.56738854
+C      5.16098830     -2.46257078      1.09977354
+C      5.09351057     -0.61816199      2.72697951
+O      4.70547137      0.44810529      3.19592052
+H      0.16351388     -0.75575122      0.28288460
+H      1.40019398     -0.42929850     -0.94799647
+H      1.13654149      0.72618144      0.37588838
+H      2.19514793     -2.15335446      0.73134436
+H      1.94924428     -0.99305928      2.04504992
+H      3.63934288      0.54618430      1.07495511
+H      3.90611415     -0.57485860     -0.28876878
+H      4.36869409     -3.22508991      1.03746675
+H      5.92597493     -2.82026076      1.80142084
+H      5.62227247     -2.35703016      0.10420735
+H      5.87944940     -1.24167769      3.21441411 
+
+18
+-1783.0839189136937 11.421748 12.61704 -9.1738 -7.2175 -10.467 0.6976 -0.2725 0.615 9.53654 0.04478 4.35872783 8.7339953924 0.183972574
+C      1.84273884     -1.28959689      0.96302207
+C      1.81729627     -0.10044432      0.00149728
+C      3.05039351      0.80768637      0.09824706
+N      4.29920995      0.15073292     -0.27110592
+C      4.83036219      0.23989113     -1.53480519
+C      6.11327331     -0.54487689     -1.75740723
+O      4.31115071      0.90784737     -2.43031426
+H      0.93141923     -1.89665368      0.86860878
+H      1.91268076     -0.95684416      2.01092964
+H      2.69634686     -1.95480027      0.76146271
+H      0.92834211      0.52025067      0.20174656
+H      1.72612304     -0.45167441     -1.03849731
+H      3.15564056      1.20045222      1.12298188
+H      2.93938035      1.66044557     -0.58557186
+H      4.76445503     -0.44225164      0.40769856
+H      6.51517773     -1.01242933     -0.84857200
+H      6.86756718      0.13137772     -2.17925485
+H      5.92087237     -1.32632237     -2.50495594 
+
+18
+-1753.2840859534915 11.623349 13.17912 -9.2269 -7.0751 -10.624 1.055 -0.9845 -0.017 10.10209 0.63195 3.6637739014 12.8407588732 0.117606556
+C     -0.24127960      1.52579651      0.57357065
+C      0.99115132      0.64577202      0.78608220
+C      2.25495024      1.24371867      0.17168611
+N      3.42857615      0.40808781      0.44585505
+C      4.65503111      0.90357055     -0.16535751
+C      5.86955617      0.17049094      0.37258316
+O      6.88221232     -0.04687398     -0.26506464
+H     -1.13804253      1.06615000      1.01149673
+H     -0.43951938      1.68914323     -0.49655911
+H     -0.11106642      2.51294025      1.04241966
+H      0.81251690     -0.35073141      0.34466073
+H      1.16619953      0.48330771      1.86138227
+H      2.44471484      2.23792594      0.61390243
+H      2.09243245      1.40972282     -0.91650608
+H      3.24355865     -0.54108134      0.10853686
+H      4.78673256      1.95880604      0.14304467
+H      4.68471346      0.89258643     -1.27365342
+H      5.76265222     -0.15576220      1.43966024 
+
+15
+-1466.7133014795374 12.866922 12.35322 -7.9647 -6.045 -8.29 0.9386 -0.613 0.03 7.86864 0.66872 4.4847348018 4.5701487572 0.494568162
+C      0.85803853     -0.11295861     -0.15614577
+C      2.34421324      0.00716288     -0.26052941
+C      3.04499942      1.10334209      0.08847524
+N      4.43036017      1.17399585     -0.01821108
+C      5.04506132      2.25324997      0.34253119
+N      6.39880645      2.34118611      0.12985003
+O      7.00714951      1.12139281     -0.23873272
+H      0.56742818     -0.95168365      0.49781594
+H      0.40269592     -0.31462930     -1.13981804
+H      0.40346787      0.80379723      0.24610559
+H      2.90183816     -0.85132640     -0.64785859
+H      2.51519479      1.98849628      0.47791556
+H      4.58577635      3.16068686      0.76352633
+H      6.95613405      2.79390164      0.85638051
+H      6.19566604      0.54361623     -0.32530479 
+
+15
+-1530.2661561892376 11.691963 12.12675 -8.2407 -6.2504 -8.727 0.6214 -0.3869 0.414 8.25019 0.22698 4.6981890994 5.110578934 0.281372362
+C      0.68683443      0.03230041      0.05206391
+C      2.15422284      0.00195997      0.35292047
+C      3.02963216      0.90445206     -0.11878017
+N      4.40323854      0.89469927      0.14127666
+C      5.25103452      1.90344884     -0.30644993
+N      6.57942327      1.73139522      0.09220253
+O      4.86559430      2.87446484     -0.95021871
+H      0.35749082     -0.89111233     -0.45192845
+H      0.42972325      0.88007456     -0.59823865
+H      0.08647106      0.11970330      0.97235491
+H      2.51404746     -0.80940017      0.99672607
+H      2.73357369      1.73630637     -0.76025534
+H      4.76253149      0.20673320      0.79808237
+H      6.93269539      0.77934806      0.15607983
+H      7.20437677      2.36161640     -0.40405551 
+
+15
+-1466.3154555470928 12.291424 11.73982 -8.0773 -6.1934 -8.496 0.7144 -0.8273 -0.06 7.93686 0.71595 4.2710201336 4.6896960584 0.489389862
+C      0.78776086     -0.25666816     -0.24682552
+C      2.27129757     -0.25647019      0.02821525
+C      3.00307363     -1.39050451     -0.00506730
+N      2.92276347      0.94619186      0.33221201
+C      2.28807852      2.07182282      0.40628175
+N      3.02613035      3.21213804      0.60114797
+O      4.37575802      2.98271994      0.93647248
+H      0.53790647      0.39411667     -1.10005567
+H      0.21620273      0.10635041      0.62279419
+H      0.43884241     -1.26949646     -0.47969338
+H      2.54137301     -2.35091196     -0.22935907
+H      4.07370787     -1.36186909      0.19552610
+H      1.21137469      2.25036684      0.28278389
+H      2.63438922      3.93006284      1.21241104
+H      4.40358118      1.98551096      0.83738627 
+
+15
+-1528.8206753272686 11.287874 11.55669 -8.4336 -6.4466 -8.92 0.6197 -0.3929 0.315 8.32244 0.28405 4.6063030748 5.2809109008 0.25478075
+C      1.08818306     -0.64717139     -1.01986177
+C      2.27646104     -0.39175940     -0.13832000
+C      2.60843198     -1.19721452      0.89003227
+N      3.03166038      0.77990431     -0.36500711
+C      3.11326584      1.53608690     -1.53371507
+N      3.97550348      2.63147528     -1.39098012
+O      2.54877288      1.27498048     -2.59025753
+H      1.39011385     -0.81418384     -2.06089760
+H      0.41027856      0.21860176     -1.02786487
+H      0.54498649     -1.52338602     -0.64701729
+H      2.00446922     -2.07250097      1.11747668
+H      3.47492559     -1.00190919      1.52422453
+H      3.76635617      0.94862898      0.31861239
+H      3.97947162      3.10754931     -0.49160321
+H      3.90446986      3.26576831     -2.18265129 
+
+15
+-1473.505059477796 12.331401 11.99027 -7.4424 -5.5817 -8.38 0.8763 -0.688 -0.151 7.80964 0.77918 4.288737733 4.288737733 0.29970207
+C      0.99245292      0.08444774      0.11460982
+C      2.48100885     -0.03011930     -0.10864652
+C      3.08188390     -1.24493871     -0.24549628
+N      2.43237233     -2.46279144     -0.19038572
+C      3.26217820      1.19443388     -0.18167426
+N      4.54209396      1.22566659      0.00258211
+O      5.03766529      2.54347948     -0.23334026
+H      0.64606358      1.11162982     -0.06458981
+H      0.70165465     -0.17176907      1.14889411
+H      0.42707862     -0.57544210     -0.56326652
+H      4.14877068     -1.29352511     -0.46972922
+H      1.55475917     -2.50993517      0.31972549
+H      3.01134110     -3.28841784     -0.08860630
+H      2.72731794      2.13155726     -0.40009218
+H      5.97698881      2.44183397      0.00128554 
+
+15
+-1528.0510662568702 11.44047 11.51435 -8.171 -6.316 -8.84 1.0436 -0.5794 -0.28 8.37428 0.87958 4.0556688502 4.5407268794 0.319864417
+C      0.94846674      0.00700827     -0.03561396
+C      2.45096442     -0.08014211     -0.02214243
+C      3.10084786     -1.27008582     -0.13650091
+N      2.49600349     -2.48334469     -0.39234061
+C      3.19990556      1.17575306      0.21765169
+N      4.56213842      1.17205737     -0.09419377
+O      2.67273729      2.17775712      0.71313365
+H      0.53181084     -0.16251129     -1.04256076
+H      0.64443156      1.00644847      0.29895337
+H      0.48690127     -0.72863847      0.64468592
+H      4.18667450     -1.32536874     -0.03546144
+H      1.48609889     -2.53006958     -0.28190112
+H      2.98470409     -3.31952158     -0.08970196
+H      4.85409189      0.63853080     -0.90833252
+H      4.97898317      2.09780720     -0.02661515 
+
+17
+-1606.0323914298544 11.369055 11.99712 -9.3926 -7.2607 -10.586 1.2826 -0.1679 0.55 10.08655 0.08043 5.5012092256 6.638396419 0.195381518
+C      0.98197604      0.01688511     -0.02578336
+C      2.52768955     -0.03148958      0.02508237
+C      2.99592747     -0.76689162      1.28435913
+N      3.12168483     -0.71235971     -1.15116527
+C      3.04277675      1.39485572     -0.02238092
+N      3.49450485      1.97780196      1.02132528
+O      3.87762448      3.31520085      0.73294013
+H      0.63360454      0.55634273     -0.92004058
+H      0.56632858      0.52207806      0.85878917
+H      0.57641644     -1.00592407     -0.06549470
+H      2.65860980     -0.24974533      2.19044175
+H      4.09147370     -0.82557784      1.30467113
+H      2.58542570     -1.78806994      1.29192831
+H      2.70794690     -0.34123941     -2.01222714
+H      2.86984146     -1.70453725     -1.12149166
+H      2.99099474      1.92430347     -0.98643102
+H      4.21434418      3.61527685      1.59659739 
+
+17
+-1664.0787193054184 10.774926 11.52915 -8.9526 -6.9298 -10.376 0.7406 -0.2498 0.66 9.51585 0.01251 4.3602528578 6.812100805 0.127662033
+C      0.82266202     -0.17648581      0.18386617
+C      2.33267929      0.02513743     -0.01699787
+C      3.12567125     -0.74158861      1.05399083
+N      2.80587012     -0.41875530     -1.35092561
+C      2.65969551      1.53669005      0.18405215
+N      3.50898955      2.05302763     -0.74661973
+O      2.19346200      2.17974698      1.12447127
+H      0.25213340      0.33949321     -0.60355548
+H      0.50293897      0.23470042      1.14996031
+H      0.57658706     -1.24803182      0.14693183
+H      2.88705869     -0.35184574      2.05131563
+H      4.20733436     -0.64037585      0.88605666
+H      2.86446178     -1.81111299      1.02550057
+H      2.07988084     -0.23893730     -2.05054659
+H      2.94432666     -1.43241817     -1.34187664
+H      3.89782392      1.41382767     -1.43812911
+H      3.85304459      2.99936820     -0.62641440 
+
+17
+-1605.6271139837884 11.636854 12.13981 -8.6029 -6.6267 -9.785 0.8427 -0.069 0.571 9.23309 0.03485 4.7253296348 5.8844251544 0.207510125
+C      1.29686795      0.04864536     -0.24759441
+C      2.36499295     -0.69460401     -1.05656577
+C      2.36450956     -2.19473171     -0.73987584
+N      2.11365092     -0.49847404     -2.48292898
+C      3.03785341      0.00446828     -3.21651633
+N      2.84879969      0.08401937     -4.58301578
+O      1.51382691     -0.18659067     -4.97588689
+H      1.31621240      1.12542136     -0.46597957
+H      1.46133503     -0.09078101      0.83059329
+H      0.29608025     -0.33280255     -0.49910185
+H      3.36016931     -0.28238548     -0.78490258
+H      1.39472661     -2.63975794     -1.00747721
+H      2.54220611     -2.36430378      0.33214867
+H      3.14679288     -2.71577907     -1.30893389
+H      4.02992964      0.34666699     -2.87797426
+H      3.14885083      0.96086748     -5.01611632
+H      1.12038555     -0.43898858     -4.09215227 
+
+17
+-1670.3089532261158 10.928963 11.93615 -9.2245 -7.2847 -10.519 0.6989 -0.2872 0.632 9.76127 -0.04417 4.6827776396 12.5276942232 0.118791347
+C      0.92932397     -0.45911893      0.10912166
+C      2.39645639     -0.44701176     -0.33651889
+C      2.93358928     -1.85243393     -0.60848216
+N      2.60157274      0.39160256     -1.52511778
+C      2.70442524      1.76721740     -1.39624817
+N      2.64415159      2.45561711     -2.61646942
+O      2.82295587      2.34782044     -0.31789447
+H      0.58278599      0.56338146      0.30871106
+H      0.80669948     -1.04964460      1.02894945
+H      0.28615642     -0.90525316     -0.66641336
+H      2.99598171      0.02919494      0.45335629
+H      2.37401933     -2.34175021     -1.42255051
+H      2.82905006     -2.48220965      0.28589440
+H      3.99485164     -1.82117188     -0.89019908
+H      2.17157772      0.05144124     -2.38386473
+H      3.05306755      1.98753944     -3.42281277
+H      2.95801501      3.41789952     -2.51368150 
+
+13
+-1396.0918528381578 9.672944 10.49574 -9.9886 -8.0179 -11.082 0.9074 -0.4504 0.093 10.0608 0.57978 4.3423120836 6.7403625054 0.132323289
+C      0.95071221     -0.19502090      0.17196153
+C      2.43942896      0.04013660     -0.15063263
+C      2.86692803     -0.69347675     -1.33783916
+N      3.22096126     -1.22991243     -2.31293475
+C      2.74299025      1.56942818     -0.22610731
+N      3.41315066      1.99678182     -1.32820084
+O      2.39035568      2.29887696      0.69266057
+H      0.69001620      0.40115958      1.05362968
+H      0.76598128     -1.25580768      0.37803024
+H      0.31703310      0.11573680     -0.66852666
+H      3.04816054     -0.32140135      0.69581192
+H      3.66900894      1.36549100     -2.08133522
+H      3.63172289      2.98508816     -1.40314738 
+
+17
+-1605.1634431803327 11.500714 12.29492 -9.3775 -7.1428 -10.546 1.3532 -0.2444 0.517 10.05541 0.10196 5.5440711858 6.6102391984 0.185984336
+C      0.89759018      0.08919542      0.06104966
+C      2.42543164      0.04853137     -0.09698681
+C      2.85210733     -0.75377811     -1.34748398
+N      2.39719326     -2.14867445     -1.25587515
+C      2.98982805      1.43684724     -0.16713300
+N      3.85829437      1.82558849      0.69111017
+O      4.25672357      3.16792679      0.44217851
+H      0.61143446      0.55833179      1.01201597
+H      0.49466719     -0.93111555      0.02522384
+H      0.43455256      0.66488186     -0.75624282
+H      2.87126729     -0.43765230      0.78811512
+H      3.94695237     -0.64398181     -1.47380295
+H      2.37955252     -0.30377463     -2.23744761
+H      2.96429961     -2.65190865     -0.56833706
+H      2.54579693     -2.62231281     -2.14889182
+H      2.64402321      2.11499826     -0.96326564
+H      4.89383546      3.32178709      1.16281355 
+
+17
+-1658.514351631018 10.882948 11.85151 -9.3741 -7.1093 -10.69 0.678 -0.3101 0.571 9.6308 0.08416 4.3518218098 12.2302394106 0.133748851
+C      0.78065583     -0.01641729     -0.26840575
+C      2.30378861      0.05987137     -0.08456950
+C      3.05369354     -0.76636981     -1.14973156
+N      2.70116592     -2.18982263     -1.05423231
+C      2.76486806      1.51748701     -0.17904286
+N      3.21673503      2.07530386      0.99235638
+O      2.74642787      2.14805694     -1.23494193
+H      0.24924782      0.47751979      0.55763695
+H      0.47056599     -1.06821181     -0.31493940
+H      0.49299752      0.47796952     -1.20743058
+H      2.56771744     -0.34371858      0.91061929
+H      4.13901719     -0.56572126     -1.05557692
+H      2.74945180     -0.39415968     -2.13917091
+H      3.19724553     -2.62498555     -0.27253173
+H      3.00788870     -2.68124050     -1.89537518
+H      3.11256849      1.59886272      1.88047194
+H      3.42907465      3.06873588      0.99260406 
+
+17
+-1605.0832273363058 11.329676 12.01875 -9.3363 -7.2076 -10.533 1.1947 -0.3717 0.493 10.11499 0.12858 5.4723824806 6.584834467 0.186125111
+C      3.32780798     -1.16774705      0.01821626
+C      2.82799981      0.04838318      0.80285698
+C      3.20410800      1.40743307      0.18589193
+N      2.48386738      2.57406954      0.73528426
+C      4.67149390      1.75536258      0.25534832
+N      5.48737458      1.05118585      0.94666497
+O      6.79716244      1.59472398      0.89793242
+H      2.95771862     -2.10075160      0.46657902
+H      4.42469283     -1.21012086      0.00620411
+H      2.97530498     -1.13997006     -1.02479176
+H      3.20328829      0.01038015      1.83844913
+H      1.72700494      0.01693980      0.86271391
+H      2.94675474      1.37661093     -0.89141008
+H      2.63601597      2.61772291      1.74749851
+H      1.47772540      2.45252470      0.59447430
+H      5.00006700      2.66381126     -0.26749893
+H      7.29334315      0.96904163      1.45604666 
+
+17
+-1662.358331120745 10.838344 11.78655 -8.9863 -6.9536 -10.439 0.7415 -0.3094 0.614 9.56126 0.0545 4.3322816162 6.807265351 0.133143347
+C      1.53426467     -0.20700962      1.48043710
+C      2.97390697     -0.15900095      0.97099223
+C      3.24497929      1.00631730      0.00500007
+N      3.13728754      2.35836778      0.58930807
+C      4.60701159      0.80812974     -0.70572727
+N      5.32755190      1.95457765     -0.85376096
+O      4.97516491     -0.29561262     -1.10787854
+H      1.39044775     -1.04593075      2.17545024
+H      0.82420421     -0.34002830      0.64925354
+H      1.25308445      0.71207260      2.01793332
+H      3.23151943     -1.09168359      0.44887866
+H      3.67639935     -0.07688743      1.81989605
+H      2.50384363      0.95429612     -0.81316175
+H      3.52300489      2.35198151      1.53893473
+H      2.15574124      2.62500718      0.68335580
+H      4.88835908      2.82853460     -0.56888982
+H      6.17866911      1.93166877     -1.40465147 
+
+17
+-1612.944056814494 11.326042 12.0424 -8.019 -6.0905 -9.412 0.8713 -0.0538 0.852 8.71212 -0.18946 5.6615851166 5.6615851166 0.144748554
+C      2.33719831     -1.15197567      1.53694165
+C      1.96996962     -0.28750123      0.32124362
+C      2.59712046      1.08134503      0.35024718
+N      2.18305537      2.01433094      1.27801622
+C      0.82932198      2.04685949      1.81340750
+N      3.58226695      1.27491775     -0.47864590
+O      4.09457067      2.61787134     -0.30687235
+H      1.86830835     -2.14323438      1.46081166
+H      2.01231720     -0.69578537      2.48256753
+H      3.42570144     -1.29032410      1.59161877
+H      0.87458399     -0.19342601      0.23747639
+H      2.31975249     -0.77067000     -0.60091521
+H      2.61915177      2.92234813      1.12671505
+H      0.58055906      1.09803492      2.30803012
+H      0.05699989      2.25267933      1.04993969
+H      0.77554237      2.83511366      2.57515834
+H      4.78534009      2.64004615     -0.98923026 
+
+17
+-1603.7154154776797 11.49552 12.00465 -8.626 -6.6351 -9.839 1.1226 -0.0837 0.55 9.28713 0.04354 4.6878734642 5.8965757824 0.197380488
+C      2.19112035     -0.93470142     -1.58835973
+C      2.33213986     -0.62870469     -0.09753951
+C      3.25517250      0.56177238      0.19840177
+N      4.63387257      0.28522721     -0.17290389
+C      5.20518614      1.01995492     -1.05553440
+N      6.47444839      0.69012362     -1.48951814
+O      7.08984479     -0.31021978     -0.69642845
+H      1.51910448     -1.78794795     -1.75691756
+H      3.16415809     -1.18103942     -2.03628548
+H      1.77713567     -0.07212668     -2.13444104
+H      2.72332260     -1.51195180      0.43276367
+H      1.34369116     -0.40840375      0.33807338
+H      3.23090362      0.76784655      1.28185937
+H      2.86745111      1.46610093     -0.31613314
+H      4.76469623      1.89197087     -1.56590180
+H      7.12067408      1.47648994     -1.59041778
+H      6.33830836     -0.52260094     -0.07174729 
+
+17
+-1668.149358247397 10.923272 11.88442 -9.2447 -7.3054 -10.563 0.6776 -0.3319 0.645 9.76828 -0.06358 4.704586777 6.349261067 0.11937953
+C      1.39871709     -0.19245007     -1.21662671
+C      2.36520031     -0.37699554     -0.04640861
+C      3.15211932      0.89017029      0.30531801
+N      4.04083900      1.32235561     -0.76967706
+C      4.07013584      2.64089413     -1.19040197
+N      5.11505501      2.92453819     -2.08139871
+O      3.27841457      3.50258320     -0.81137117
+H      0.86995607     -1.12759215     -1.44853188
+H      1.93264083      0.12826016     -2.12271497
+H      0.64481059      0.57574290     -0.98813780
+H      3.07085145     -1.19792844     -0.26518548
+H      1.81187227     -0.68702143      0.85547619
+H      3.73086456      0.72935429      1.23166031
+H      2.47154324      1.73416874      0.48763843
+H      4.88525700      0.77534214     -0.91571816
+H      5.38091180      2.18278846     -2.72599709
+H      4.97160105      3.81941951     -2.54329332 
+
+20
+-1882.4784269140405 11.949649 13.20175 -8.9965 -6.8401 -10.402 0.9538 -0.0013 3.115 9.72417 -2.82825 8.4404337402 11.4359850946 0.121564899
+C      2.88994206     -0.92657787     -0.96638949
+C      2.48434248     -0.03606754      0.21116233
+C      2.99179432      1.41933412      0.12943943
+N      2.47561731      2.30192904      1.18947996
+C      4.51549297      1.52357031      0.12885182
+O      5.02165995      0.96930937      1.34506765
+C      6.42704963      1.13017618      1.45349822
+H      2.41089670     -1.91368063     -0.89662418
+H      3.97642985     -1.09316123     -0.99719388
+H      2.59074891     -0.48146601     -1.92861535
+H      2.83756766     -0.47722266      1.15716057
+H      1.38321715      0.00226846      0.27319850
+H      2.66273946      1.84334616     -0.83833853
+H      2.85363198      1.98237631      2.08671399
+H      1.45940733      2.20280152      1.25406103
+H      4.79985643      2.59077933      0.05421172
+H      4.94725270      0.98819762     -0.73950918
+H      6.73404310      0.68222897      2.40738209
+H      6.71458855      2.19875513      1.44578944
+H      6.95921143      0.61938343      0.62798386 
+
+14
+-1458.7134785517687 10.646889 10.77111 -8.6097 -6.6933 -9.092 0.759 -0.9161 -0.582 8.62376 1.17125 4.1349826944 4.5415079912 0.345385592
+C      0.95327880      0.02366795      0.00041151
+C      2.45688442     -0.05528226      0.00837664
+C      3.10590700     -1.24378348     -0.14242823
+N      2.49934818     -2.44510729     -0.42649619
+C      3.19608546      1.19067423      0.30349579
+O      4.53526258      1.23870749     -0.04243139
+O      2.69741273      2.16528473      0.83822739
+H      0.53894554     -0.12595076     -1.01031806
+H      0.64011290      1.01234344      0.35615096
+H      0.49819278     -0.72947358      0.66533766
+H      4.19167331     -1.31627744     -0.04061164
+H      1.48923247     -2.49861690     -0.32427703
+H      2.99409819     -3.29549638     -0.18052678
+H      4.72247566      0.51125025     -0.66446063 
+
+16
+-1597.221804568203 9.917648 10.76954 -9.5 -7.4105 -10.824 0.5606 -0.4623 0.274 10.07327 0.37078 4.307211647 7.7387473718 0.095996718
+C      0.85780556     -0.01013993      0.05298758
+C      2.38798736      0.01917382     -0.03480383
+C      3.02222715     -0.80409259      1.09562896
+N      2.89271830     -0.47153249     -1.34650326
+C      2.88154452      1.49208189      0.13664621
+O      3.76975685      1.86948995     -0.80332300
+O      2.51681536      2.21212103      1.04473164
+H      0.40461781      0.54043947     -0.78508214
+H      0.52210397      0.46657172      0.98257869
+H      0.49432692     -1.04794806      0.02998149
+H      2.76401378     -0.36669613      2.06795181
+H      4.11839096     -0.81803868      1.00758871
+H      2.65041940     -1.83961623      1.06584681
+H      2.14728961     -0.47101322     -2.04662271
+H      3.24241627     -1.42863241     -1.27457129
+H      3.82514617      1.05179186     -1.38869566 
+
+16
+-1595.2186530802953 9.977658 10.83871 -9.4769 -7.4041 -10.925 0.4738 -0.5815 0.386 9.98279 0.25305 4.3372906506 7.6703690928 0.131626682
+C      0.88647795     -0.04573730      0.11112686
+C      2.40603384      0.09360693     -0.09373588
+C      2.91695716     -0.72507060     -1.29331034
+N      2.37335547     -0.20672829     -2.57134588
+C      2.78027155      1.58870158     -0.15274792
+O      2.76716455      2.15525229     -1.37987327
+O      3.03568928      2.22954762      0.84907378
+H      0.57529918      0.48929061      1.01773298
+H      0.60664965     -1.10399897      0.22478439
+H      0.31711026      0.37670263     -0.73026426
+H      2.90873816     -0.29185652      0.80587552
+H      2.67711036     -1.79106426     -1.12936564
+H      4.01252216     -0.64100408     -1.34786134
+H      1.40637537     -0.51014875     -2.70687371
+H      2.91040777     -0.56139398     -3.36431749
+H      2.56518728      1.42433108     -2.05256781 
+
+16
+-1595.4927315052835 9.985029 11.00998 -9.571 -7.4777 -10.916 0.5638 -0.5658 0.216 10.15263 0.41963 4.2846089992 12.774525552 0.142989233
+C      2.63796590      0.06720292      1.80796019
+C      3.66164994      0.63631498      0.82662086
+C      3.07729215      0.95202399     -0.55577348
+N      2.10337974      2.06681176     -0.59521111
+C      4.19959740      1.23091162     -1.58922523
+O      3.92470262      2.27178499     -2.40127894
+O      5.20814899      0.56021013     -1.67621462
+H      3.10043151     -0.13374659      2.78417440
+H      2.22036199     -0.88133430      1.43677073
+H      1.79856770      0.75840487      1.97983333
+H      4.49129371     -0.06996895      0.68006249
+H      4.11373887      1.55832845      1.23405563
+H      2.56559325      0.05078202     -0.93562752
+H      2.26638005      2.71492775      0.18009573
+H      1.14207596      1.73494787     -0.51486019
+H      3.03904022      2.59549849     -2.05492227 
+
+13
+-1358.9069215650431 13.159678 11.83981 -8.7333 -6.9113 -9.188 -0.205 -1.8004 -0.876 8.7151 1.43798 4.3154319188 4.6103946128 0.868477804
+C      1.27338510     -0.83115060      0.23287425
+C      2.45640120     -0.27917880     -0.09937638
+C      2.73755424      1.13186661      0.03049253
+N      3.89769787      1.60244723     -0.30732028
+N      4.09394948      2.93458641     -0.15993756
+C      5.30153098      3.51424282     -0.49977492
+O      5.52223961      4.70970260     -0.38482931
+H      1.09573320     -1.90017935      0.12227119
+H      0.45211447     -0.22725422      0.62528585
+H      3.27198277     -0.89298511     -0.49087027
+H      1.93979997      1.78761816      0.42262897
+H      3.35639519      3.55274306      0.20485403
+H      6.02020591      2.75864120     -0.88081810 
+
+13
+-1377.8955547859455 10.853408 11.11143 -9.6759 -7.6584 -10.202 -0.2044 -1.9121 -0.625 9.54842 1.06016 4.1558619368 6.0209957334 0.575919006
+C      1.11698211     -0.38340134     -0.16023680
+C      2.44772958     -0.45145267     -0.29219022
+C      3.34883728      0.72369125     -0.16325877
+N      3.08921595      1.94528204     -0.47227918
+N      4.61568042      0.39300942      0.35015194
+C      5.69684445      1.25749429      0.45323330
+O      6.76598475      0.91676838      0.93493403
+H      0.49226274     -1.26878634     -0.27569217
+H      0.61258428      0.55530164      0.07975369
+H      2.92534774     -1.41673611     -0.49153549
+H      2.15566074      2.00560551     -0.89240819
+H      4.77489441     -0.55055357      0.70117926
+H      5.47171555      2.26216752      0.04810860 
+
+15
+-1484.228950170883 11.292597 11.8985 -9.6996 -7.5605 -10.068 1.2246 -0.4996 0.297 10.05414 0.26434 4.3544255158 6.7713342082 0.372008483
+C      1.34406088     -0.45385353     -0.44678475
+C      2.36067004     -0.01322592      0.30178010
+C      3.07241343      1.28701873      0.07358888
+N      4.51106849      1.03652042     -0.14685008
+N      5.24815959      2.20914504     -0.35439600
+C      6.18838664      2.61892002      0.55877159
+O      6.79846953      3.67674383      0.48548262
+H      0.84801410     -1.40191988     -0.23506837
+H      0.96497975      0.12740097     -1.29152202
+H      2.72834774     -0.61493893      1.13919060
+H      2.99733673      1.92289571      0.97130637
+H      2.59968263      1.83765285     -0.76508299
+H      4.63450647      0.41558330     -0.95211558
+H      4.98357987      2.87227044     -1.09112794
+H      6.32807411      1.85476694      1.35609754 
+
+15
+-1493.6773894082994 11.843769 11.8903 -8.2634 -6.3266 -8.863 1.263 -0.4042 0.002 8.39362 0.66993 4.291341439 4.8269857562 0.372930495
+C      0.77231858      0.19266196     -0.05527572
+C      2.23997989      0.00739762     -0.28651691
+C      3.17001733      0.87224073      0.15035703
+N      4.55253563      0.73958205     -0.02953795
+N      5.04184116     -0.38504120     -0.74005712
+C      5.45413177      1.71010112      0.33962720
+O      6.66577946      1.61761105      0.15006527
+H      0.34127758     -0.65899988      0.49536820
+H      0.22448029      0.25716409     -1.00919243
+H      0.56008273      1.10630181      0.51762840
+H      2.56265943     -0.86246308     -0.86292008
+H      2.90520034      1.76684800      0.71915119
+H      5.04583570     -1.17633673     -0.08161493
+H      6.03207157     -0.14944992     -0.90305996
+H      4.96045854      2.58837240      0.80448782 
+
+15
+-1492.8725938419568 11.445092 11.33538 -8.4212 -6.5089 -9.066 0.8935 -0.7118 -0.094 8.48927 0.72394 4.218189699 4.940532135 0.346619555
+C      0.94549637     -0.09074640      0.22832436
+C      2.43838475     -0.07825167      0.03503177
+C      3.17112942     -1.20843522      0.00664477
+N      3.05293698      1.18795508     -0.08478036
+N      4.46678878      1.22418019     -0.22770288
+C      2.39651283      2.39573288     -0.18232009
+O      2.98799637      3.46869505     -0.30821712
+H      0.63457674      0.49240716      1.10796284
+H      0.61836076     -1.12628406      0.37413463
+H      0.41183157      0.30938035     -0.64674747
+H      2.67135943     -2.16785838      0.12165689
+H      4.24443699     -1.19609388     -0.16420357
+H      4.86379227      1.06137945      0.70756366
+H      4.65155696      2.21510475     -0.44539842
+H      1.29697979      2.30610469     -0.16071901 
+
+15
+-1504.254729489455 11.560793 11.80437 -8.8735 -6.9828 -9.513 1.0383 -0.6322 0.063 8.96612 0.54907 4.3511894812 5.2610731408 0.470441924
+C      0.90902279      0.16166835     -0.00185880
+C      2.34041102     -0.28127320      0.06356160
+C      2.66151086     -1.73046063     -0.20729630
+N      3.22202834      0.61996543      0.35439299
+N      4.53350772      0.23656622      0.42243996
+C      5.50948807      1.15941107      0.72985122
+O      6.69758026      0.88069417      0.80764590
+H      0.82981001      1.23484904      0.20544865
+H      0.29639229     -0.39122096      0.72860538
+H      0.48114386     -0.04563695     -0.99588225
+H      1.75312448     -2.29768150     -0.44089854
+H      3.13756559     -2.20839908      0.66474182
+H      3.35041367     -1.83872891     -1.06117496
+H      4.83728784     -0.72814049      0.25427162
+H      5.07459318      2.16822746      0.89413172 
+
+17
+-1633.6936340446039 10.949199 11.7302 -8.9661 -7.0038 -10.072 0.7641 -0.212 0.309 9.34948 0.28833 4.3391752378 12.4552987978 0.210184197
+C      0.88692293     -0.19543262      0.02664588
+C      2.39708514      0.04000662     -0.07465422
+C      3.06498308     -0.90374520     -1.07776649
+N      2.70250543      1.44438456     -0.40061911
+N      2.21019198      1.92705688     -1.64450175
+C      3.08540076      2.35669616      0.54133858
+O      3.14890554      3.57094987      0.34880262
+H      0.43975315      0.44532884      0.79930089
+H      0.68079844     -1.24361503      0.28477295
+H      0.40366492      0.02922091     -0.93382036
+H      2.85500820     -0.11779265      0.91633211
+H      2.64640121     -0.75600800     -2.08369323
+H      2.88881088     -1.94932867     -0.78968593
+H      4.15018276     -0.73521717     -1.11829517
+H      3.01246718      1.99417032     -2.28310387
+H      1.94579182      2.90450058     -1.45747928
+H      3.33240656      1.87495460      1.51340637 
+
+17
+-1632.9790267629783 11.06776 11.74697 -9.1305 -7.1064 -10.463 0.7991 -0.1438 0.211 10.07057 0.33298 4.3037028432 6.0465616466 0.146460671
+C      0.06593650     -0.94535502      0.29712248
+C      1.51488862     -1.42060197      0.22891082
+C      1.62301952     -2.86577208     -0.25018724
+N      2.23090075     -0.51808069     -0.71896413
+N      3.63477166     -0.66569528     -0.63079637
+C      4.38772208      0.16350432      0.15580537
+O      3.92691479      0.97259893      0.95524538
+H      0.00098634      0.08827949      0.66899201
+H     -0.51199584     -1.58216408      0.98019071
+H     -0.40338670     -0.98727559     -0.69710955
+H      1.96800924     -1.33825233      1.23525465
+H      1.16773844     -2.97612288     -1.24601179
+H      1.10668823     -3.54018574      0.44744696
+H      2.67206886     -3.18918252     -0.30769455
+H      2.05207923      0.44784493     -0.41430293
+H      4.07790857     -1.11370564     -1.43035657
+H      5.47813972      0.01776613     -0.02040526 
+
+17
+-1653.2475622248742 10.966699 11.77954 -9.2084 -7.2023 -10.445 0.6681 -0.3401 0.455 9.81632 0.12105 4.3523797468 6.1880544698 0.194821317
+C      1.35341429     -0.58308309      0.99472981
+C      1.89540284     -0.08986308     -0.35392169
+C      2.26590042     -1.23306583     -1.31165147
+N      1.05691441     -1.91864774     -1.80242014
+N      0.93596453      0.77718086     -1.03439669
+C      0.80801588      2.10587109     -0.77659195
+O      1.49336646      2.74603903      0.01887915
+H      1.12816305      0.27498247      1.64087694
+H      2.09800101     -1.21195305      1.50521399
+H      0.42822520     -1.16491145      0.86805824
+H      2.79518074      0.51633666     -0.16519831
+H      2.98629043     -1.89928800     -0.80035556
+H      2.77937700     -0.80217772     -2.18423223
+H      0.70272984     -2.57093534     -1.09924097
+H      1.27993025     -2.47945985     -2.62590803
+H      0.28767357      0.30814728     -1.66803268
+H     -0.00126992      2.57088777     -1.38781840 
+
+15
+-1499.9298737214306 11.847599 12.11753 -9.0686 -7.1881 -9.714 0.7871 -0.8683 -0.053 9.16967 0.62791 4.3386296994 5.350553837 0.498893132
+C      2.42015167     -0.99086437     -1.47696387
+C      3.19701254     -0.41860018     -0.28082425
+C      2.68936999      0.92286220      0.14319705
+N      3.44406284      1.96272751      0.09173880
+N      2.90724080      3.15442461      0.48315990
+C      3.65979797      4.30788376      0.44906188
+O      3.23031925      5.40184949      0.78456218
+H      2.78597294     -1.99506223     -1.73145256
+H      2.53604337     -0.34995973     -2.36223798
+H      1.34523770     -1.07265634     -1.25714545
+H      4.26617460     -0.32486377     -0.51829123
+H      3.11042338     -1.11449290      0.57218768
+H      1.63915494      0.99194861      0.48451428
+H      1.93393249      3.22472295      0.80775548
+H      4.68874552      4.10759041      0.08148808 
+
+17
+-1608.0079270806002 11.225399 11.83027 -8.1058 -6.2276 -9.696 0.7916 -0.1974 0.662 8.92707 -0.01213 4.7714276296 8.2662954032 0.15761851
+C      2.07373886     -0.63874100      1.18056529
+C      2.68376632     -0.19791242     -0.15875353
+C      3.54951116      1.04039156     -0.05509336
+N      3.26307764      2.23070735     -0.49463408
+N      4.73042482      0.93953266      0.65129234
+C      5.60786907     -0.21496907      0.61530985
+O      5.49439307      2.13272703      0.60752460
+H      1.41605649     -1.50712343      1.03630149
+H      1.47876784      0.17265057      1.62201942
+H      2.84851277     -0.91419152      1.90881309
+H      1.88151693      0.03267823     -0.87456296
+H      3.25893508     -1.02569174     -0.60401860
+H      2.33987735      2.27418652     -0.92938444
+H      5.02023706     -1.12444198      0.78202031
+H      6.33328672     -0.11919631      1.43270234
+H      6.15477525     -0.28990571     -0.34089101
+H      4.84100357      2.72046925      0.11298925 
+
+15
+-1523.2289435464454 10.862505 11.32657 -9.5222 -7.7036 -10.491 0.837 -0.9358 -0.367 10.28398 0.84288 4.184155542 5.8521020042 0.35622227
+C      1.71878536     -0.13329226     -1.75362338
+C      2.16347390     -0.04140236     -0.28404773
+C      3.13160947      1.09568481     -0.02488368
+N      2.84581724      2.24310473      0.47772647
+N      4.47321273      0.91360670     -0.39767558
+C      5.10221137     -0.20759757     -0.89699053
+O      6.29490588     -0.24894671     -1.15862463
+H      0.99198924     -0.94682343     -1.88062049
+H      2.56294029     -0.32764579     -2.42913110
+H      1.24294582      0.80334827     -2.07464799
+H      2.59758774     -0.99900534      0.04369809
+H      1.28658247      0.13321491      0.35577043
+H      1.84890669      2.28474391      0.71880863
+H      5.06963368      1.72989929     -0.23835773
+H      4.42220811     -1.07349916     -1.04004077 
+
+17
+-1632.2966828002939 11.072115 11.97503 -8.901 -6.9297 -10.056 0.8028 -0.1551 0.294 9.36698 0.29609 4.3477426704 5.7090965518 0.187808007
+C      0.78234571      0.03399167      0.02954940
+C      2.29134450     -0.20807296      0.06905947
+C      3.08685269      1.09164453     -0.08711074
+N      4.53051186      0.92099538      0.04150650
+N      5.00151865      0.51860098      1.32257070
+C      5.36924746      0.79586011     -1.02812052
+O      6.55248141      0.46422806     -0.94662422
+H      0.22847867     -0.90737914      0.14748742
+H      0.46801915      0.48628470     -0.92372557
+H      0.46436298      0.70871690      0.83905596
+H      2.58751934     -0.90461728     -0.73235733
+H      2.58024158     -0.67603564      1.02202575
+H      2.75827554      1.82868694      0.66477063
+H      2.90703930      1.54281697     -1.07619272
+H      5.36256426      1.36230711      1.78744514
+H      5.83957400     -0.04567945      1.11989694
+H      4.85792289      1.02466114     -1.98891679 
+
+17
+-1629.842602572752 11.249754 12.32589 -9.6226 -7.4797 -10.722 0.724 -0.2434 0.336 10.02706 0.21367 4.354140348 6.2989103524 0.220871136
+C      0.99014343     -0.35245738     -0.01850526
+C      2.49005557     -0.06662295      0.07077289
+C      2.80751190      1.42091037     -0.05839102
+N      4.25648579      1.65002821      0.06069978
+N      4.62039079      2.98827327     -0.14465680
+C      5.12199680      3.74356190      0.88580279
+O      5.35413352      4.94267423      0.80860393
+H      0.78691312     -1.42836362      0.06990204
+H      0.57224509     -0.01174634     -0.97775555
+H      0.43912575      0.15781123      0.78557081
+H      3.01848552     -0.62198835     -0.72413354
+H      2.89277231     -0.43245592      1.02843102
+H      2.31713311      1.98699707      0.74976308
+H      2.40306075      1.80810677     -1.01819821
+H      4.75975820      1.06746399     -0.61554255
+H      4.32396051      3.48508362     -0.99227245
+H      5.30526783      3.11592390      1.78680904 
+
+17
+-1599.2485980785812 11.353272 11.87612 -8.9191 -6.9793 -10.147 1.0197 -0.2215 0.891 9.41939 -0.2798 4.8376485522 6.4437507976 0.192855214
+C      2.27441445     -1.05516521      1.08604591
+C      2.18801474     -0.08151304     -0.10027250
+C      2.70519807      1.29701738      0.25204943
+N      2.06202191      2.24610315      0.83839372
+N      4.01318164      1.59795738     -0.15750659
+O      4.93799434      0.51049634     -0.01343685
+C      5.70853315      0.39901493     -1.21607978
+H      1.86939611     -2.03790430      0.80729986
+H      1.70016975     -0.68043691      1.94497198
+H      3.31699352     -1.18901884      1.40366986
+H      1.13967150      0.02792139     -0.41880151
+H      2.75037835     -0.48430537     -0.95467395
+H      1.07428140      1.98814314      0.95067637
+H      4.37289960      2.40519806      0.36582053
+H      6.39140926     -0.44280750     -1.04271805
+H      6.29300757      1.31436049     -1.40486325
+H      5.06651464      0.19203894     -2.08702518 
+
+14
+-1428.4609358656382 11.282708 12.07161 -9.6372 -7.5133 -9.964 1.3017 -0.3715 0.404 9.54556 0.24313 4.3723786886 10.8218204436 0.581381131
+C      0.99000365     -0.09125499      0.22947847
+C      2.50603973     -0.01701685     -0.07941067
+C      2.82788062     -0.84154791     -1.30367931
+N      3.38647298     -0.32591296     -2.33260060
+O      3.56975385     -1.29820707     -3.34616212
+C      2.96642989      1.36794230     -0.15394408
+C      3.31053942      2.53075958     -0.15853327
+H      0.77098261      0.42565385      1.17213993
+H      0.66822222     -1.13823558      0.31944710
+H      0.41486448      0.38614967     -0.57451748
+H      3.03657391     -0.49839885      0.76576063
+H      2.55184392     -1.90560548     -1.27631329
+H      4.00138792     -0.77458564     -4.04530883
+H      3.62388480      3.55422993     -0.18214645 
+
+18
+-1745.6298423627213 11.763038 12.65244 -8.7364 -6.6183 -9.371 0.9402 0.0296 1.235 8.90057 -0.74058 6.3424542356 6.3424542356 0.338573178
+C      2.10396808     -0.68874110      0.54915206
+C      2.10206239     -1.16735627     -0.89829036
+C      2.56970275     -2.61110540     -1.04126935
+N      2.69733046     -2.97548978     -2.45574656
+O      0.75146854     -1.13879729     -1.44239106
+C      0.26823511      0.05126164     -1.89943971
+C      0.85987445      1.25567688     -1.93750844
+H      1.66512866      0.31317337      0.63547267
+H      3.13296588     -0.64727110      0.93413782
+H      1.52274840     -1.37528242      1.18136098
+H      2.74099539     -0.53270241     -1.53586305
+H      1.87628215     -3.25193548     -0.45805716
+H      3.56182787     -2.69043937     -0.56934080
+H      1.77220135     -2.93626500     -2.89152649
+H      3.01622671     -3.94236778     -2.53997059
+H     -0.74956724     -0.09290122     -2.27104883
+H      1.86609865      1.45406986     -1.57418419
+H      0.30405038      2.08746289     -2.36513693 
+
+14
+-1433.2710279636435 11.610982 12.03058 -9.1085 -7.1123 -9.679 0.43 -1.2277 -0.168 9.13376 0.73054 3.9463379954 11.3934578966 0.426044468
+C      1.00779060     -0.28251142      0.03841411
+C      2.49400427      0.10871177     -0.00492215
+C      2.68550726      1.60892645     -0.02635053
+N      2.77237213      2.35112365     -1.09189885
+O      2.67031347      1.57271065     -2.26438929
+C      2.75044639      2.30241564      1.21690102
+C      2.79376627      2.80070541      2.32594186
+H      0.90277801     -1.37585510      0.06869222
+H      0.48013913      0.08812729     -0.85041956
+H      0.51570785      0.13201662      0.92929212
+H      2.96914207     -0.31574151     -0.89981866
+H      3.01268737     -0.28892731      0.87880905
+H      2.77811555      2.25234371     -2.95343995
+H      2.83559964      3.26716416      3.28885859 
+
+15
+-1463.5918798887828 12.144836 12.1119 -8.1197 -6.2129 -8.622 0.6583 -0.4622 0.586 8.05447 -0.03929 4.9554352522 5.197865078 0.384414293
+C      0.65521239     -0.02238230     -0.16103831
+C      1.99605190     -0.10348088      0.50277023
+C      3.09641927      0.49109636      0.01298376
+N      4.38278588      0.43626470      0.55975842
+O      4.52142308     -0.21803362      1.79440973
+C      5.43997073      1.26271114      0.18588975
+N      6.57494593      1.41814533      0.75635014
+H      0.27268291     -1.02275390     -0.42126474
+H      0.69233350      0.57243641     -1.08466638
+H     -0.09394756      0.43618442      0.50442865
+H      2.06890562     -0.65875111      1.44028693
+H      3.07281560      1.07469472     -0.91070641
+H      4.74405530     -1.14255268      1.55700107
+H      5.20515164      1.80327038     -0.74108031
+H      6.61527382      0.85994104      1.62170746 
+
+15
+-1463.812285075237 11.820197 11.56198 -8.2551 -6.3758 -8.793 0.7241 -0.4518 0.498 8.10717 0.00427999999999 4.9596755734 5.26878507 0.427064116
+C      0.87976435     -0.39498336      0.34918708
+C      2.30697304     -0.17107845     -0.07627701
+C      3.18572782     -1.18264396     -0.22766748
+N      2.66063206      1.16546127     -0.33735051
+O      3.99168344      1.39722726     -0.72077428
+C      1.92962762      2.31498249     -0.03680760
+N      2.29550893      3.53723608     -0.15126928
+H      0.66572562      0.06952193      1.32327488
+H      0.70464615     -1.47223277      0.44378057
+H      0.16272293      0.00716272     -0.38171734
+H      2.85655954     -2.20230061     -0.04252714
+H      4.22404374     -1.01408614     -0.50039815
+H      3.99604237      1.25244898     -1.69080665
+H      0.92370011      2.07899995      0.32319159
+H      3.27143226      3.58408461     -0.47821868 
+
+13
+-1340.0466287173099 10.143398 10.96324 -10.1811 -8.127 -10.999 1.0002 -0.8732 -0.131 10.5359 0.67634 5.3450116628 11.3843201284 0.258690688
+C      0.98158197     -0.02777794     -0.07614687
+C      2.51834105     -0.00524355     -0.03265667
+C      3.19483066     -0.64029804     -1.23071579
+N      2.48071234     -1.19052939     -2.13817057
+O      3.28556137     -1.74816197     -3.15077177
+C      3.02677277      1.36402070      0.13820272
+N      3.42722613      2.45043193      0.27886804
+H      0.57524871      0.42475579      0.83613613
+H      0.62991019     -1.06296423     -0.15543123
+H      0.61077632      0.52778760     -0.94566318
+H      2.85901726     -0.56267009      0.86139704
+H      4.29085965     -0.61921533     -1.28498771
+H      2.61985157     -2.11244548     -3.76234013 
+
+17
+-1603.9779647407115 11.134815 11.81582 -8.8857 -6.9344 -10.011 0.7085 -0.4041 0.799 9.30524 -0.26878 4.9138999422 8.894693647 0.213893227
+C      0.96575194     -0.07304049     -0.01038795
+C      2.48684908      0.00893713     -0.17879683
+C      3.01188698     -0.95823198     -1.23891507
+N      2.95670321      1.38578386     -0.46550752
+O      2.33237104      1.91322060     -1.64443112
+C      2.94948748      2.31198255      0.58802513
+N      2.71244212      3.56845703      0.56210031
+H      0.61723041      0.60376643      0.78201967
+H      0.66702638     -1.09687502      0.25442466
+H      0.45993318      0.20196520     -0.94590711
+H      2.97030392     -0.23160686      0.78343561
+H      2.55818558     -0.74670179     -2.21780510
+H      2.75636595     -1.99210014     -0.96876590
+H      4.10419156     -0.88413443     -1.33153548
+H      3.07385075      1.97447114     -2.27513580
+H      3.26546395      1.83330090      1.52660374
+H      2.41056647      3.83831588     -0.38678126 
+
+13
+-1341.4404763755017 10.361002 10.867 -10.0417 -8.0885 -10.726 -0.0466 -1.8695 -0.941 10.19541 1.35609 4.838987601 10.5471294606 0.236764698
+C      1.00133830     -0.35303692      0.07219718
+C      2.47197188      0.08452790     -0.03682119
+C      2.62092331      1.58503812     -0.00335076
+N      2.68379974      2.39569243     -1.01625950
+O      2.60638368      1.70326014     -2.22825328
+C      2.67129431      2.23123917      1.27581502
+N      2.70557716      2.66749549      2.35997875
+H      0.93391035     -1.44918366      0.06210279
+H      0.41360835      0.03524176     -0.76988261
+H      0.54732450      0.00680687      1.00560254
+H      2.91053514     -0.28232872     -0.97407169
+H      3.05120474     -0.33653067      0.79728468
+H      2.69106853      2.42685808     -2.87568193 
+
+17
+-1602.5067460268685 11.257222 11.97568 -8.979 -7.0104 -10.096 0.7227 -0.4162 0.778 9.40672 -0.25485 4.9069195304 8.9173954836 0.231621294
+C      1.66813599     -0.72928131      1.78261973
+C      2.48168752     -0.68070117      0.48890703
+C      3.52527243      0.43526614      0.45814613
+N      4.56787747      0.27248211      1.48233016
+O      5.45030340     -0.79737642      1.11578605
+C      5.27435433      1.41657921      1.88825596
+N      6.50799064      1.53560936      2.20000759
+H      0.94941253     -1.56032179      1.76869770
+H      1.09936339      0.20187314      1.92945241
+H      2.31914042     -0.85882002      2.65925084
+H      1.81229638     -0.53013116     -0.37344921
+H      2.98749620     -1.64367354      0.31292225
+H      3.04702142      1.40623819      0.66380781
+H      3.99753205      0.49751939     -0.53882065
+H      5.29792271     -1.46197307      1.81417984
+H      4.59636672      2.27611422      1.99105732
+H      6.99413640      0.64332672      2.02129904 
+
+12
+-1272.1550661496046 11.37162 10.77572 -9.5622 -7.6685 -9.884 -0.2021 -1.9372 -0.777 9.30899 1.31551 4.3622242352 5.3300837484 0.797153915
+C      5.21812674     -1.57466846      0.83570444
+C      4.33309538     -0.56430587      0.76343190
+C      3.01345715     -0.72973410      0.18907923
+N      2.21806921      0.28627883      0.14801488
+O      0.98540559     -0.13091838     -0.45743806
+C      0.06830965      0.89292853     -0.57044431
+O      0.19460380      2.04018860     -0.23630527
+H      6.20702157     -1.43370761      1.27055038
+H      4.97387327     -2.57163588      0.46268293
+H      4.57791016      0.43263129      1.13721043
+H      2.71422482     -1.71322923     -0.19978038
+H     -0.82539734      0.43705227     -1.04280618 
+
+14
+-1413.432752095311 11.366645 11.34237 -8.3829 -6.4409 -8.999 1.003 -0.6839 -0.255 8.55731 0.94515 4.3347489376 4.7480810658 0.364243587
+C      0.64478355      0.28160027      0.11227308
+C      2.08780107      0.10054831      0.46397866
+C      3.08726206      0.70668631     -0.19668184
+N      4.44182359      0.56717832      0.09387359
+O      4.79148540     -0.26816132      1.15107632
+C      5.49674601      1.14850492     -0.54398574
+O      6.65767950      0.92425484     -0.17746781
+H      0.17351736     -0.68164806     -0.14058928
+H      0.51240245      0.95796784     -0.74380829
+H      0.07697300      0.69436564      0.96150343
+H      2.33625320     -0.55719328      1.29884779
+H      2.91891353      1.37858756     -1.04108946
+H      5.78483757     -0.17130996      1.10676095
+H      5.20301171      1.80793861     -1.38098140 
+
+14
+-1413.3658078485748 10.907404 10.79241 -8.5647 -6.6465 -9.204 0.6923 -0.9478 -0.354 8.64919 1.00489 4.2794511816 4.8730341566 0.334177144
+C      0.94322828     -0.06420526      0.04389395
+C      2.44078965     -0.20426068      0.05085088
+C      3.08092987     -1.38414444      0.14310233
+N      3.16062061      0.99751454     -0.04727490
+O      4.55192903      0.89602769     -0.04452756
+C      2.70735577      2.28235300     -0.14751265
+O      3.51108019      3.22208925     -0.22527286
+H      0.58120553      0.53949631      0.88933240
+H      0.49722079     -1.06137965      0.12597149
+H      0.57615271      0.39589104     -0.88554692
+H      2.49708520     -2.29865997      0.21765503
+H      4.16516675     -1.45120832      0.14504090
+H      4.77799875      1.86725693     -0.12251480
+H      1.61161687      2.38821956     -0.15159728 
+
+14
+-1419.4626364994122 10.43213 10.87808 -10.013 -8.0094 -10.77 1.0673 -0.7021 0.135 10.47343 0.41655 4.3625342002 6.4624726836 0.297114242
+C      0.68418453      0.11877345     -0.02381261
+C      2.15671130     -0.16423520      0.02981468
+C      2.63650252     -1.58223347     -0.10821360
+N      2.90434267      0.87332637      0.19007435
+O      4.29679306      0.45596731      0.21204354
+C      5.15848968      1.50198420      0.42349932
+O      4.89713300      2.66399805      0.59431099
+H      0.48955525      1.19319435      0.06704378
+H      0.16736870     -0.41527699      0.78860096
+H      0.26249700     -0.24976730     -0.97174775
+H      1.79411049     -2.28335609     -0.11676376
+H      3.32046873     -1.84315933      0.71053846
+H      3.20485523     -1.70160214     -1.04258786
+H      6.17643784      1.05859680      0.40841951 
+
+16
+-1553.6914965861172 10.416846 11.23249 -8.7864 -6.8303 -10.322 0.7454 -0.247 0.037 9.62831 0.55786 4.4080990552 5.6657386476 0.193209213
+C      0.98831481     -0.46752408      0.21921929
+C      2.44986564     -0.10737052     -0.06985563
+C      2.94239598     -0.67252061     -1.40751103
+N      2.65924671      1.33300368      0.00246986
+O      1.97181654      2.09575520     -0.95275710
+C      3.48229026      2.04061158      0.80370902
+O      3.58496995      3.27374534      0.69347247
+H      0.67197453     -0.07149761      1.19320023
+H      0.86760023     -1.55921269      0.22924889
+H      0.32781640     -0.05384962     -0.55435135
+H      3.08487287     -0.49947556      0.74301890
+H      2.35247945     -0.26581676     -2.23967136
+H      2.83833145     -1.76591966     -1.41162526
+H      3.99816266     -0.42116289     -1.57544292
+H      2.33066729      2.99778325     -0.71492234
+H      4.02416523      1.41969097      1.54274834 
+
+16
+-1581.5614680107049 10.172692 11.16427 -9.5599 -7.2537 -10.79 1.7848 -0.139 -0.107 10.73719 0.63053 4.376333842 9.5061182074 0.105317738
+C      0.42808824     -0.59366510     -0.02226428
+C      1.89398424     -0.34446591     -0.34048782
+C      2.69628177     -1.62116759     -0.55015510
+N      4.11804932     -1.32048890     -0.74297757
+O      2.00311138      0.40329991     -1.61050904
+C      1.88846862      1.74783173     -1.53326004
+O      1.68911354      2.40648318     -0.53481189
+H     -0.10657337      0.35555057      0.10450944
+H      0.34249540     -1.15912254      0.91657930
+H     -0.05527224     -1.17255789     -0.82210236
+H      2.36922707      0.27125018      0.43675956
+H      2.22717148     -2.19636890     -1.37509363
+H      2.59189914     -2.22498626      0.36504219
+H      4.24517782     -0.84336844     -1.63908174
+H      4.65400892     -2.18831648     -0.79971580
+H      2.00839866      2.16505243     -2.55362122 
+
+14
+-1414.4202816226202 10.605737 11.07539 -10.3669 -8.2096 -11.101 0.8135 -0.954 0.041 10.56261 0.49527 4.362943354 6.6650410104 0.330442971
+C      0.95052656     -0.54311136      0.18710137
+C      2.47679618     -0.44526838      0.03875641
+C      2.93628435      0.96882033     -0.11897372
+N      3.74370260      1.46654257      0.74110484
+O      4.02276145      2.84065382      0.36568628
+C      4.87698339      3.46895135      1.23801523
+O      5.38841963      3.02428361      2.23189368
+H      0.63970739     -1.59422333      0.25447189
+H      0.43256975     -0.09359353     -0.67267318
+H      0.61117821     -0.02729220      1.09580474
+H      2.79444718     -1.00857333     -0.85556731
+H      2.98732971     -0.88844854      0.90510834
+H      2.56060430      1.56355336     -0.96505590
+H      5.00738929      4.49588563      0.83752734 
+
+16
+-1548.9334110101395 10.335944 11.11492 -9.3941 -7.4309 -10.669 0.7127 -0.4811 0.093 10.12309 0.48463 4.2439291926 6.073826168 0.164963565
+C      1.81648300     -1.74742868     -0.84386797
+C      1.94430016     -0.91027254      0.42908864
+C      3.30715296     -0.23160739      0.58403422
+N      4.41543244     -1.17555886      0.70036683
+O      4.53788687     -1.79115332      1.97631134
+C      5.60280151     -1.02659041      0.01731828
+O      5.74285299     -0.32793718     -0.97888893
+H      0.82715999     -2.22075928     -0.90967559
+H      2.57387871     -2.54446421     -0.87867240
+H      1.95529447     -1.12673542     -1.74132472
+H      1.74010247     -1.52756550      1.32029699
+H      1.18085235     -0.11572434      0.43683358
+H      3.31919865      0.42287349      1.47127954
+H      3.55059806      0.37590556     -0.30024636
+H      4.10500629     -2.66022275      1.86615739
+H      6.40016907     -1.65627918      0.46801915 
+
+17
+-1596.2057552532015 11.596641 12.18578 -9.1326 -6.9401 -10.427 1.4182 -0.4681 0.332 10.23651 0.18693 5.2990748498 6.516580174 0.430712201
+C      0.80065274     -0.10015751     -0.12251107
+C      2.31774688     -0.14370605     -0.11922724
+C      2.90954495     -0.85894059     -1.34093196
+N      2.60591543     -2.29701873     -1.28178028
+O      2.76752494      1.23878996     -0.09127556
+N      4.10145872      1.29332022      0.33639008
+C      4.54795610      2.49521619      0.33218639
+H      0.41331237      0.32874606      0.81087575
+H      0.41723169     -1.12170537     -0.23982029
+H      0.43755615      0.50685144     -0.96499696
+H      2.68954828     -0.63070108      0.79964800
+H      3.98850744     -0.62051167     -1.38090407
+H      2.44432843     -0.44209418     -2.24891738
+H      3.21312674     -2.75084116     -0.59412621
+H      2.81752488     -2.73506480     -2.17981451
+H      5.57611458      2.62517202      0.67043090
+H      3.95004968      3.35789524      0.01572441 
+
+14
+-1470.5014152350473 10.822468 11.37427 -9.554 -7.4743 -9.972 -0.1311 -1.8921 -0.927 9.78677 1.51231 3.415504335 5.1754732064 0.416756687
+C      1.01314905      0.03084939     -0.25317471
+C      2.32611675     -0.12176781      0.00942936
+C      2.80027520     -1.44557801      0.47286529
+O      3.95924199     -1.70829084      0.76323576
+C      3.33760646      0.95937320     -0.13413882
+C      3.65800310      1.55420366     -1.47138454
+N      2.83691968      2.29974038     -0.50111916
+H      0.61445588      0.99429451     -0.57296162
+H      0.32599480     -0.81047125     -0.14286913
+H      1.99413787     -2.21942147      0.55331080
+H      4.17840484      0.87825797      0.55993130
+H      3.11105698      1.19418567     -2.34590528
+H      4.68885722      1.86699214     -1.65492318
+H      3.40631019      3.01321246     -0.03672609 
+
+14
+-1471.5424408111826 10.820131 11.44285 -9.2123 -7.2647 -10.46 -0.1342 -1.8383 -0.609 9.39792 1.23883 3.502914465 11.845808419 0.383931654
+C      0.98608071      0.06052094     -0.03927562
+C      2.28157443      0.01225921      0.30229669
+C      3.30718380      0.77784534     -0.46411196
+O      3.04960120      1.41638566     -1.48288652
+C      4.71234811      0.77494246      0.06879669
+C      4.98690114      1.12920463      1.50281081
+N      5.09261777     -0.26272832      1.05887572
+H      0.22738758     -0.50115696      0.50681010
+H      0.66767899      0.67125024     -0.88752530
+H      2.63856449     -0.59701725      1.13550594
+H      5.45019422      1.10865912     -0.66571467
+H      4.14652450      1.33613486      2.17021689
+H      5.89159602      1.70952213      1.69958680
+H      6.07377706     -0.51884209      0.91373442 
+
+16
+-1610.0806723522712 10.661667 11.84305 -9.3147 -7.1585 -10.788 1.0876 -0.8322 0.007 9.97396 0.64906 3.6744614946 11.2496961296 0.102853395
+C      2.27778498     -0.28157002      0.52065320
+C      2.43838356     -0.29315822     -0.99696488
+C      1.27954605     -0.96473867     -1.71571193
+O      0.32596589     -1.48911182     -1.16887938
+C      2.63486864      1.09989106     -1.58282644
+C      3.98829775      1.69764234     -1.74149273
+N      3.26510073      1.16891765     -2.91885285
+H      3.16241225      0.15916900      1.00003043
+H      2.13657228     -1.29927468      0.90618524
+H      1.39502153      0.30241238      0.81763773
+H      3.33215702     -0.87703952     -1.29133387
+H      1.36289985     -0.93850689     -2.83146133
+H      1.81883193      1.80049653     -1.37121999
+H      4.86607693      1.11512693     -1.44920703
+H      4.09040187      2.77899258     -1.62427721
+H      2.86373874      1.94268133     -3.45710897 
+
+18
+-1746.3143651140597 11.050229 12.25214 -9.5283 -7.3943 -11.083 0.874 -0.0714 2.618 10.42767 -2.26496 8.7462948036 13.1365522734 0.090624643
+C      0.95964578      0.21108404      0.07884521
+C      2.47392989      0.01730317      0.02256990
+C      2.95569179     -0.91437527      1.14054673
+O      2.74956659     -0.58810815     -1.26285218
+C      3.17651203      1.37728755      0.03554187
+C      3.98864545      1.91184215      1.16084999
+N      4.65552786      1.32180715     -0.02313357
+H      0.62081360      0.82561327     -0.76710114
+H      0.66577506      0.70480983      1.01562046
+H      0.45232800     -0.76167735      0.02081258
+H      2.63799247     -0.55997311      2.13205665
+H      4.05238672     -0.99726654      1.13125452
+H      2.53005854     -1.91335274      0.97722111
+H      3.72281200     -0.58191029     -1.34524051
+H      2.68756225      2.11734566     -0.60758561
+H      4.10387564      1.33141803      2.07848991
+H      4.02068673      2.99590332      1.29508803
+H      5.00674958      2.06701929     -0.63134396 
+
+18
+-1743.3895254279341 11.108322 12.32453 -9.5444 -7.2875 -10.925 0.8074 -0.137 2.7 10.34968 -2.37975 8.6943074738 11.1032438664 0.117759737
+C      1.79577954     -0.04283091      0.54064622
+C      2.74332262      0.10176302     -0.65466993
+C      2.36023377     -0.84415051     -1.80489669
+O      3.36171079     -0.91546169     -2.81446319
+C      2.77230452      1.54357521     -1.13928956
+C      3.93482352      2.44209631     -0.91222978
+N      3.71805509      1.84606984     -2.25133762
+H      2.06855001      0.64539285      1.35378742
+H      1.82234758     -1.06623624      0.94073857
+H      0.75581392      0.17707651      0.25133811
+H      3.76559124     -0.17655698     -0.34297727
+H      1.38373466     -0.52391429     -2.22915033
+H      2.22172194     -1.86593364     -1.41400761
+H      3.73040968     -0.00538939     -2.88937986
+H      1.78946345      2.02605496     -1.19837769
+H      4.80944511      2.05720605     -0.38263098
+H      3.75279495      3.51194799     -0.79076452
+H      3.30796761      2.54228091     -2.88061529 
+
+16
+-1616.7835676922998 10.668432 11.89582 -9.1604 -7.1503 -10.579 1.1274 -0.6202 0.161 9.58578 0.57588 3.7440548364 11.8049054376 0.229317271
+C      1.02337516      0.09547545      0.10741985
+C      2.54449125      0.12464909      0.19461537
+C      3.15552943      1.43190431     -0.27453151
+O      2.49028187      2.34688275     -0.74650038
+C      4.64606420      1.59878868     -0.15422840
+C      5.35315453      1.41134037      1.15809095
+N      5.47446767      0.39736508      0.10725384
+H      0.63736031     -0.87903152      0.43580445
+H      0.68447661      0.27465283     -0.92151466
+H      0.57423381      0.87634913      0.73618757
+H      3.01004684     -0.67553429     -0.40618360
+H      2.89549112     -0.07945360      1.22066590
+H      5.03655590      2.38992971     -0.80079831
+H      4.78224201      1.09992229      2.03603727
+H      6.18969051      2.08380676      1.36369125
+H      6.37161878      0.49411296     -0.37798960 
+
+18
+-1745.2718597022895 11.117107 12.53171 -9.5259 -7.3575 -10.989 0.8281 -0.1387 2.758 10.40021 -2.43113 8.7009531234 11.5471137464 0.111763102
+C      1.04291967     -0.21669876     -0.14746762
+C      2.56756564     -0.11417907     -0.16614389
+C      3.07887425      1.25740355      0.30149777
+O      2.65183847      1.55702820      1.63041952
+C      4.60219988      1.33293474      0.21952928
+C      5.37078931      2.38642623      0.93017203
+N      5.27848364      1.02044720      1.50006908
+H      0.70606679     -1.22160684     -0.43829227
+H      0.58956947      0.50449268     -0.84535299
+H      0.65545754      0.00072753      0.85710527
+H      2.94740576     -0.30105261     -1.18608888
+H      3.00976652     -0.88851840      0.48439811
+H      2.64694093      2.04039627     -0.34902487
+H      3.36236713      1.18131509      2.19950164
+H      5.04395586      0.93170708     -0.69816836
+H      4.82856189      3.14350215      1.50046961
+H      6.32146944      2.70713533      0.49852592
+H      6.14273781      0.49640962      1.34401064 
+
+20
+-1884.707008225972 12.129303 13.71633 -9.2461 -6.8975 -10.541 0.9988 0.0662 3.193 10.80404 -2.98515 8.724398876 11.2763779168 0.167871524
+C      0.95087725     -0.13986365     -0.03146150
+C      2.47647607     -0.03326860      0.00451428
+C      2.95060407      1.41225034      0.00645218
+O      4.37388510      1.44248403      0.06215532
+C      4.88793013      2.77445854      0.04943671
+C      6.40391794      2.70445760      0.03667595
+N      6.87523527      2.11179620     -1.22157364
+H      0.62885690     -1.19020748     -0.03819473
+H      0.53494504      0.34070580     -0.93010464
+H      0.49356490      0.34212817      0.84608001
+H      2.91528632     -0.54696748     -0.86577022
+H      2.87310427     -0.53499906      0.90148483
+H      2.52721589      1.95410914      0.87856644
+H      2.59652607      1.93533204     -0.90622730
+H      4.53865016      3.32654446      0.94519279
+H      4.53142737      3.30874141     -0.85345961
+H      6.73248768      2.16561151      0.94869430
+H      6.79001857      3.73413037      0.10756777
+H      6.50061796      1.16174057     -1.29244844
+H      7.89323304      2.02115608     -1.20498048 
+
+12
+-1356.1313904214849 10.25402 10.86301 -10.0488 -8.1037 -10.817 -0.7856 -2.5284 -1.014 9.86045 1.67263 3.4935783192 5.5817381326 0.391431743
+C      2.03830732     -1.15168218     -0.31032695
+C      3.14253512     -0.39075072     -0.35623165
+C      3.12248158      1.00837097      0.14138131
+O      2.13933035      1.54759546      0.62535971
+C      4.44978311      1.81270516      0.09026204
+C      5.38720710      1.42987616     -0.95407264
+N      6.12313280      1.10717188     -1.80005679
+H      2.03982230     -2.18063047     -0.67009812
+H      1.10795435     -0.74480383      0.09165566
+H      4.08000026     -0.77367742     -0.76487639
+H      4.93684262      1.68465782      1.07161356
+H      4.18956309      2.87600718     -0.00099973 
+
+14
+-1470.129157437768 10.829232 11.79203 -10.2979 -7.9837 -9.929 1.1613 -0.6376 1.01 9.41034 -0.53909 5.3957591326 6.7858281716 0.475346757
+C      0.79420372     -0.20982847      1.73269838
+C      1.54152204     -0.12468894      0.62814895
+C      2.55334100      0.94811856      0.38858375
+O      3.81926995      0.32325381      0.08278450
+C      4.83363630      1.26275460     -0.21660841
+C      4.59551896      2.00188761     -1.47173980
+N      4.38963911      2.58205831     -2.46240368
+H      0.03706059     -0.98597369      1.84949116
+H      0.90778215      0.50146631      2.55456696
+H      1.41838303     -0.84894904     -0.18269364
+H      2.65892977      1.59940216      1.27714953
+H      2.24497539      1.57883077     -0.46780821
+H      5.77074530      0.69603252     -0.31523384
+H      4.96464270      2.00308550      0.59671436 
+
+12
+-1312.0757823737056 10.030479 10.9728 -10.8242 -8.3381 -10.272 1.2168 -0.5918 1.179 9.89887 -0.8224 4.3898235188 10.6593491892 0.429361741
+C      0.95795406     -0.03216509      0.02790825
+C      2.17128729     -0.02027762      0.00990598
+C      3.63152165      0.02426407     -0.00641614
+O      4.19163398      0.81175680      1.06237210
+C      3.84087962      2.18795840      0.99460257
+C      4.43792837      2.87200074     -0.16632585
+N      4.91025545      3.38792126     -1.09955823
+H     -0.11309057     -0.05695650      0.04185752
+H      3.98566759      0.39791843     -0.98512753
+H      4.04764010     -0.98245575      0.14079256
+H      4.22166662      2.64840568      1.91678003
+H      2.74510583      2.32809957      0.95940873 
+
+18
+-1745.592331415259 12.06173 13.2653 -8.4486 -6.3361 -8.997 0.9748 0.0459 1.305 8.54865 -0.75207 6.0902171172 6.0902171172 0.336278837
+C     -0.22736878      3.67822699      0.74992835
+C      1.10802321      3.69280990      0.06420243
+C      1.68387929      2.57660707     -0.41303639
+O      2.88773048      2.44109854     -1.04710470
+C      3.65469304      3.64245974     -1.23768939
+C      4.92384632      3.26570943     -1.97783491
+N      4.61065852      2.82650886     -3.34295012
+H     -0.15922731      4.07299811      1.77669946
+H     -0.63674593      2.65941589      0.81124051
+H     -0.96377931      4.30283369      0.21858323
+H      1.60540101      4.65973072     -0.03733562
+H      1.20087600      1.59941228     -0.32427979
+H      3.89139771      4.08642655     -0.25405556
+H      3.06600189      4.36396978     -1.83128664
+H      5.47320963      2.52043585     -1.36728234
+H      5.55366272      4.16782841     -2.03612969
+H      4.03491761      1.98177706     -3.29526651
+H      5.46900390      2.56485114     -3.83151231 
+
+14
+-1475.76805301311 10.912951 12.14406 -9.2071 -7.0621 -9.472 1.1406 -0.2835 0.883 11.81419 -0.9382 5.418746137 6.1452916984 0.346955823
+C     -0.12622574     -0.20629640      0.68947287
+C      0.87172453      0.26271133     -0.32876247
+C      1.91081496      1.04861926     -0.00830480
+O      2.89265984      1.54725226     -0.83232170
+C      2.77765002      1.17214416     -2.20263631
+C      3.88093050      1.77115881     -2.95200687
+N      4.74142026      2.22627851     -3.59189731
+H     -0.15199995     -1.30580322      0.74858164
+H     -1.14540421      0.12318586      0.43329658
+H      0.10935392      0.17845526      1.69144393
+H      0.71578042     -0.06796124     -1.35825130
+H      2.09155438      1.39388022      1.01184316
+H      1.82001268      1.52434828     -2.62837270
+H      2.82060837      0.07314691     -2.31531472 
+
+18
+-1749.1566087419774 11.952694 12.96523 -8.5346 -6.5343 -9.124 0.9185 -0.028 1.328 8.54366 -0.76759 6.2201048508 6.2201048508 0.353885438
+C      2.04091338     -4.14487477      0.62748146
+C      3.30564850     -3.53806398      1.15757822
+C      4.18667245     -4.17985149      1.94782840
+O      3.42708014     -2.24375071      0.71764279
+C      4.58145717     -1.50592490      1.15554207
+C      4.48991934     -0.11232276      0.56470311
+N      3.35682077      0.62072583      1.14177506
+H      2.02954595     -4.11202589     -0.47220685
+H      1.16575412     -3.57908313      0.98125253
+H      1.94310451     -5.18658715      0.95278730
+H      3.98556927     -5.21062368      2.23103083
+H      5.09664462     -3.72199189      2.32749917
+H      5.49712446     -2.01656291      0.80888513
+H      4.58631208     -1.45552865      2.25814377
+H      4.46574366     -0.20317278     -0.54020625
+H      5.41892561      0.41857137      0.82724257
+H      2.48764454      0.14841339      0.88018959
+H      3.30731942      1.55890410      0.73969111 
+
+14
+-1479.4598916217424 10.81892 11.88664 -9.3814 -7.2557 -9.593 1.0513 -0.3899 0.904 11.8221 -0.92703 5.4175434728 6.2722161666 0.367422585
+C     -0.02713368     -0.14646341     -0.10964101
+C      1.44840503     -0.38899979     -0.17654329
+C      2.03196021     -1.55852561     -0.49006397
+O      2.12077457      0.77735769      0.13593695
+C      3.54384680      0.69606162      0.11786227
+C      4.09479548      2.00740103      0.45697151
+N      4.58021272      3.03330906      0.71967134
+H     -0.31503399      0.65773949     -0.80200995
+H     -0.31722889      0.17231775      0.90207855
+H     -0.58046279     -1.05544306     -0.36888544
+H      1.40293988     -2.41525202     -0.72041598
+H      3.10795493     -1.71051012     -0.52978572
+H      3.90960352      0.40067980     -0.88212030
+H      3.90560621     -0.04752242      0.85090505 
+
+12
+-1358.4734460768275 10.886102 11.03648 -10.1915 -8.1398 -10.259 -1.2953 -3.0654 -1.753 9.76775 2.08779 3.2474785078 4.6900556178 0.463336509
+C      0.84299661      0.11483155     -0.00619947
+C      2.33395965      0.02964681     -0.00667753
+C      2.94678172     -1.32686087     -0.01485702
+O      2.28268461     -2.35175785     -0.02108837
+C      3.13863939      1.12477554     -0.00004016
+C      4.56052264      1.09208943     -0.00024778
+N      5.73019783      1.14577240      0.00004170
+H      0.49212295      1.15312318     -0.00019884
+H      0.43463583     -0.41300921      0.86805895
+H      0.43466592     -0.40287012     -0.88650992
+H      4.06178058     -1.35254417     -0.01493104
+H      2.70326226      2.12793331      0.00603949 
+
+20
+-1886.5855829306515 12.014788 13.32714 -9.2051 -6.87 -10.524 0.9657 0.032 3.146 10.6674 -2.86613 8.7320736094 11.8685102556 0.139898353
+C      1.02902258      0.13519324      0.05064706
+C      2.50468872     -0.11661853     -0.22969053
+C      2.71200576     -1.09727235     -1.38586959
+O      3.09358973      1.16852525     -0.49976465
+C      4.52154012      1.18338364     -0.45481156
+C      4.97800519      2.63180880     -0.45208415
+N      4.55035276      3.29880152      0.78418401
+H      0.90881392      0.83248289      0.89064365
+H      0.51849340     -0.80507395      0.30101295
+H      0.54125782      0.56967155     -0.83439278
+H      2.98330441     -0.52896617      0.68284980
+H      2.26624945     -0.69653482     -2.30867569
+H      2.23251207     -2.06049398     -1.15830954
+H      3.77708002     -1.29396700     -1.57089706
+H      4.95428215      0.66023657     -1.32871530
+H      4.87395686      0.68199900      0.46820422
+H      4.60983908      3.11119171     -1.38202149
+H      6.07918384      2.63926800     -0.49469560
+H      3.52757368      3.28016353      0.82218582
+H      4.82138844      4.28394110      0.76123043 
+
+20
+-1897.9373248518905 11.787914 12.87785 -9.2536 -7.1256 -10.535 0.7331 -0.2513 2.816 9.97978 -2.50726 8.5929365202 10.9065400774 0.082373206
+C      0.86956266     -0.68274196      0.02939599
+C      2.38355390     -0.42682526      0.13591247
+C      2.97298486     -1.26011278      1.27719085
+O      3.03671946     -0.88073342     -1.06517655
+C      2.69388658      1.07153529      0.37880938
+C      2.18981345      2.04241058     -0.69368382
+N      2.77973794      1.73042835     -2.01562826
+H      0.43505749     -0.16053400     -0.83480809
+H      0.33512312     -0.35900908      0.93632617
+H      0.69318428     -1.75763434     -0.11397650
+H      2.49023332     -1.02384707      2.23666223
+H      4.05273795     -1.07417437      1.36752346
+H      2.82826392     -2.32918231      1.06659625
+H      2.90770121     -0.15394801     -1.72296383
+H      3.78947552      1.17399085      0.47331453
+H      2.26549025      1.37815016      1.34759875
+H      2.39274237      3.07954702     -0.36515572
+H      1.09708974      1.95504957     -0.79473535
+H      3.77034618      1.98960175     -2.02364440
+H      2.32868581      2.28245904     -2.74795754 
+
+16
+-1632.4904006383404 10.618311 11.83539 -10.6113 -8.4249 -11.702 0.5665 -0.526 1.461 11.37509 -1.09325 5.3792441974 12.4877335354 0.156447501
+C      0.93782633     -0.00552734     -0.00646382
+C      2.46918004     -0.06558934      0.02712144
+C      2.97223721     -0.81625494      1.25864792
+O      2.96944410     -0.80001699     -1.10145135
+C      3.02518125      1.39240140     -0.00123882
+C      4.48128776      1.46957461      0.02868592
+N      5.64483163      1.54095627      0.06294947
+H      0.58081901      0.52256321     -0.90497730
+H      0.53343523      0.51593810      0.87312734
+H      0.53136785     -1.02542398     -0.02296038
+H      2.65714149     -0.31097004      2.18179252
+H      4.06829678     -0.87879664      1.24675319
+H      2.56688589     -1.83646680      1.25936370
+H      2.58030045     -0.42310278     -1.91082981
+H      2.63041339      1.95936276      0.85701481
+H      2.66827160      1.90307250     -0.91079482 
+
+16
+-1617.903873246457 10.877254 12.27686 -10.3381 -8.2073 -11.659 0.8136 -0.3672 1.386 11.75698 -1.02316 5.4133031516 11.728765635 0.239534386
+C      1.20856354     -0.90907301      1.06585170
+C      1.98592449     -1.15828438     -0.22583536
+C      2.93655404     -2.34069077     -0.11330201
+O      1.10664863     -1.46517173     -1.33646983
+C      0.37890553     -0.34075319     -1.79813343
+C     -0.32801861     -0.69418519     -3.03137307
+N     -0.90533853     -0.93250745     -4.01508494
+H      0.53903764     -0.04074516      0.99232516
+H      1.90708030     -0.71088208      1.89108381
+H      0.60779436     -1.79298679      1.32448040
+H      2.56221872     -0.24777660     -0.49020983
+H      2.37786961     -3.25799714      0.12134544
+H      3.66865563     -2.16546333      0.68653572
+H      3.47576858     -2.49433472     -1.05680935
+H      1.05094591      0.51351332     -2.01823037
+H     -0.37373983      0.00960824     -1.06592406 
+
+20
+-1889.5298035689757 11.7638 13.02362 -9.2461 -6.946 -10.61 0.8635 -0.1292 2.925 9.97632 -2.62905 8.7600696482 10.4815036708 0.072796014
+C      1.30801820     -0.46539929      0.85886532
+C      2.31734260     -0.61759853     -0.28659459
+C      2.10750059     -1.93520634     -1.04651136
+O      0.87969352     -2.00291193     -1.78979559
+C      2.28142761      0.61342162     -1.21078305
+C      3.32396139      0.62939862     -2.33213827
+N      4.69269140      0.50612740     -1.79988055
+H      1.50773910      0.44288326      1.44634988
+H      1.34770363     -1.32385015      1.54710950
+H      0.27503905     -0.37689718      0.48190368
+H      3.33120796     -0.68679785      0.14480857
+H      2.17729887     -2.77976596     -0.33423176
+H      2.90495517     -2.07464161     -1.79024232
+H      0.14800848     -2.00141752     -1.14874990
+H      2.40950210      1.51899721     -0.59007058
+H      1.28235109      0.69285617     -1.67059515
+H      3.16155860      1.54319761     -2.93914703
+H      3.15116455     -0.22254609     -3.00883255
+H      4.93373774      1.35012952     -1.27229518
+H      5.36269836      0.45468106     -2.57000909 
+
+18
+-1748.2968263643245 12.101749 12.99318 -9.2217 -7.0217 -9.015 0.8505 -0.3528 1.261 8.44635 -0.59209 6.114865534 6.114865534 0.385686782
+C      1.06526402      0.10959491     -0.29346898
+C      2.53118519     -0.17462163     -0.09203544
+C      2.90043421     -1.63888311     -0.10288767
+O      2.40421622     -2.33801752      1.05851740
+C      3.41925608      0.82023010      0.11122640
+C      4.90096851      0.71989836      0.33603566
+N      5.61425836      1.51374587     -0.68273128
+H      0.83618740      1.17686809     -0.17724485
+H      0.45713334     -0.46215074      0.42396259
+H      0.74358820     -0.20634027     -1.29985771
+H      3.98841773     -1.78392716     -0.20696245
+H      2.41549835     -2.14005493     -0.95560291
+H      2.75169650     -1.86742317      1.83759749
+H      3.04779914      1.85175861      0.09488441
+H      5.22524734     -0.33604840      0.39915757
+H      5.13347348      1.17655298      1.31463927
+H      5.49086108      1.07923408     -1.60099920
+H      6.61827484      1.51000393     -0.48856031 
+
+14
+-1488.3349456890408 11.10501 11.71496 -9.8885 -7.7695 -9.531 0.0639 -1.5399 -0.168 8.99001 0.73102 4.952124826 5.1377194694 0.257316659
+C      0.85565413      0.18384539     -0.14088186
+C      2.34729297      0.06465645     -0.10685102
+C      2.93283649     -1.32128285     -0.27609358
+O      2.30727645     -2.08216255     -1.31494572
+C      3.13529693      1.14642191      0.09560892
+C      4.55634629      1.09883342      0.12793796
+N      5.72688538      1.09397740      0.16369833
+H      0.52168958      1.21217156      0.04231933
+H      0.39324917     -0.47118181      0.61660174
+H      0.47270093     -0.14070504     -1.12038050
+H      2.86761319     -1.84907375      0.69498675
+H      3.99850327     -1.25364083     -0.53515988
+H      1.52136328     -2.52144902     -0.94854680
+H      2.69286195      2.13195974      0.26021633 
+
+16
+-1628.836421232584 10.585175 11.87074 -10.6171 -8.3422 -11.775 0.6051 -0.4573 1.466 11.32862 -1.10243 5.3750658692 12.4275259338 0.155197417
+C      1.15755177     -0.19252589      0.41324399
+C      2.52083000     -0.02368084     -0.26397337
+C      2.62817020     -0.83529001     -1.56533431
+O      1.68734230     -0.43102695     -2.56812587
+C      2.80379535      1.47630046     -0.52538555
+C      4.18157727      1.73251006     -0.93138874
+N      5.29097181      1.91240985     -1.24472231
+H      1.12383790      0.33038915      1.37949184
+H      0.94263811     -1.25463973      0.60243608
+H      0.34644202      0.21731738     -0.20864594
+H      3.30350906     -0.40719883      0.41310913
+H      2.52299839     -1.91039426     -1.33376749
+H      3.62091444     -0.68788386     -2.01557397
+H      0.81611683     -0.79033790     -2.32866906
+H      2.59703664      2.06885146      0.37924871
+H      2.13108792      1.83866992     -1.31950314 
+
+16
+-1636.5493102563896 12.16491 12.5502 -8.4849 -6.5732 -9.193 0.6461 -0.9555 -0.499 8.91365 1.15206 3.5284803782 4.6880594432 0.420414472
+C      0.88707521      0.22558133      0.10632979
+C      2.28518994     -0.22166497     -0.31088341
+C      3.36540297      0.83081971     -0.02117973
+O      3.06036993      1.91713049      0.48367608
+C      4.75906815      0.53458069     -0.34841831
+C      5.20601244     -0.63552818     -0.87745084
+N      6.49998580     -0.90895828     -1.23658091
+H      0.14827919     -0.55686496     -0.11663135
+H      0.59460311      1.14321539     -0.42063439
+H      0.84919426      0.44627265      1.18121575
+H      2.30933009     -0.45458365     -1.38938559
+H      2.55919237     -1.15737586      0.20614164
+H      5.46283848      1.34297413     -0.12877240
+H      4.50927339     -1.44900722     -1.09472433
+H      7.23411835     -0.28138781     -0.92148234
+H      6.77925631     -1.87360347     -1.36895967 
+
+14
+-1502.284414911583 10.147309 11.31881 -9.9899 -7.9749 -11.024 0.5861 -1.2297 -0.24 10.09325 1.00124 3.7346814948 11.6573620976 0.27621469
+C      1.00507271     -0.62549460      0.03689359
+C      2.29169218      0.18750313      0.09005096
+C      2.14913844      1.59668322     -0.42820185
+O      1.11245889      2.06698017     -0.85735043
+C      3.40761927      2.51404719     -0.41399174
+C      4.64055232      1.92837544      0.08838038
+N      5.62015807      1.43919970      0.49171036
+H      1.17678449     -1.63829466      0.42367401
+H      0.63110445     -0.70552408     -0.99223276
+H      0.21509154     -0.15413167      0.63622355
+H      3.10698267     -0.29148906     -0.48176987
+H      2.69628087      0.25431393      1.11622416
+H      3.14969871      3.40250661      0.18260087
+H      3.55901538      2.86722469     -1.44550123 
+
+20
+-1895.055173256157 11.763814 12.99088 -9.2899 -7.1551 -10.575 0.7472 -0.244 2.937 10.01955 -2.65411 8.6223459994 10.794159167 0.073255431
+C      0.71443751      0.03629530      0.00785573
+C      2.22980693     -0.10313144      0.15704294
+C      2.96360964      1.23567077     -0.03600819
+O      2.54872217      2.20612732      0.93484414
+C      4.49770630      1.09202848     -0.06806916
+C      5.13118840      0.55723009      1.22046924
+N      4.83869517      1.45402778      2.36329389
+H      0.20108916     -0.91550265      0.20545846
+H      0.44575737      0.35778879     -1.01053570
+H      0.33076281      0.79014582      0.70886290
+H      2.61641171     -0.83288024     -0.57644216
+H      2.46401514     -0.50339293      1.15810527
+H      2.65134224      1.64603610     -1.01458794
+H      3.11819214      2.03354304      1.72451965
+H      4.92794245      2.08207290     -0.29822906
+H      4.78244971      0.42541065     -0.89889241
+H      6.21538586      0.40489930      1.05853528
+H      4.70863253     -0.42990812      1.46363364
+H      5.38124158      2.31784863      2.27371952
+H      5.12910119      1.01908041      3.24145396 
+
+20
+-1896.7612358933075 11.77013 13.13335 -9.4623 -7.3165 -10.77 0.7703 -0.2111 2.85 10.08577 -2.55314 8.563403055 10.4779700698 0.094368314
+C      1.01534777     -0.18330092      0.00626522
+C      2.53137578     -0.17036372      0.20538282
+C      3.13784905      1.23300582      0.05096115
+O      2.59211833      2.14902312      1.00354216
+C      4.68420973      1.23173137      0.17019190
+C      5.28228602      2.54382843     -0.33237338
+N      5.01365343      1.06552176      1.60455047
+H      0.59715427     -1.18698276      0.16713139
+H      0.74932698      0.13178145     -1.01481193
+H      0.53160080      0.51058825      0.70715467
+H      3.01495767     -0.84583330     -0.52258510
+H      2.77227150     -0.55711562      1.21158722
+H      2.86727037      1.62040336     -0.94844982
+H      3.19825689      2.05386787      1.77491713
+H      5.07725850      0.40132764     -0.44888897
+H      4.86770750      3.39399791      0.22752739
+H      5.05173214      2.68917693     -1.39664523
+H      6.37754049      2.54895367     -0.22289083
+H      5.96998398      1.37417108      1.78793908
+H      4.96290881      0.08256765      1.87987464 
+
+16
+-1630.5789286924012 10.652974 11.97156 -10.6817 -8.4842 -11.763 0.6719 -0.3962 1.291 11.40531 -0.92331 5.3645270592 12.1618859288 0.242024798
+C      1.86016794     -0.93499090      0.60031431
+C      3.23430433     -0.29959618      0.38504937
+C      3.17394560      1.20788059      0.13729611
+O      2.61876153      1.92964818      1.24032452
+C      4.56264391      1.80857940     -0.21350938
+C      5.11454601      1.29240111     -1.45979162
+N      5.52811932      0.85979354     -2.46145692
+H      1.95462572     -2.00755609      0.81725745
+H      1.23432625     -0.82928616     -0.29812130
+H      1.32573375     -0.46245498      1.43578499
+H      3.73987792     -0.77449834     -0.47109852
+H      3.88344298     -0.48238359      1.26263809
+H      2.49192298      1.41504439     -0.70368902
+H      3.05790565      1.61823829      2.05348841
+H      5.27661767      1.60072773      0.60101077
+H      4.46151843      2.90118300     -0.29061726 
+
+16
+-1617.54484416969 10.665508 11.98073 -10.5459 -8.3646 -11.871 0.88 -0.226 1.324 11.65789 -0.92376 5.3799509176 10.7893113144 0.201359288
+C      2.82893739     -0.33622844     -1.84310273
+C      2.42589848      0.04684658     -0.41992346
+C      2.97187947      1.41192225      0.01832195
+O      2.45559109      1.70676426      1.31022209
+C      2.75993186      3.03248521      1.75186344
+C      4.45377319      1.42378443      0.02049460
+N      5.62006956      1.44244916      0.04114815
+H      2.40540421     -1.31343766     -2.10952768
+H      3.92075670     -0.40533292     -1.94964342
+H      2.46215692      0.39674838     -2.57722886
+H      2.77252739     -0.70640923      0.30304223
+H      1.33173964      0.10922356     -0.32550083
+H      2.64987126      2.18914840     -0.70755446
+H      2.26717222      3.15344374      2.72337926
+H      2.36775289      3.78738713      1.04626227
+H      3.84640772      3.18070515      1.87252746 
+
+16
+-1617.070216014493 10.760723 12.16784 -10.5855 -8.3946 -11.987 1.1684 -0.2482 1.262 11.56961 -0.90214 5.4008177614 12.84308981 0.281511464
+C      0.13079303      0.18098243     -1.11317160
+C      1.33132723     -0.18499867     -0.23806391
+C      2.22891947      1.01315920      0.02136699
+O      3.32803822      0.58978094      0.84915575
+C      4.20795367      1.64425467      1.18065274
+C      4.96161559      2.16524321      0.02237253
+N      5.54709915      2.56670629     -0.90304708
+H     -0.50336705     -0.69728560     -1.29400908
+H      0.45005989      0.56773517     -2.09256716
+H     -0.49569592      0.95062963     -0.63742564
+H      1.92985857     -0.97307962     -0.72099542
+H      0.99169884     -0.58997252      0.72824616
+H      1.66981494      1.81894554      0.53861770
+H      2.61404564      1.42507578     -0.93050684
+H      4.92560891      1.24447587      1.91173637
+H      3.67546983      2.49423767      1.65112849 
+
+18
+-1760.57332883544 11.262712 12.60666 -8.6842 -6.5266 -10.035 1.1568 -0.6047 0.214 9.65222 0.52186 3.7100082808 11.7451689828 0.173609852
+C      0.84728689     -0.11151871      0.65105255
+C      2.33858470     -0.09560094      0.33367448
+C      2.99824252      1.26419424      0.49847497
+O      2.43461850      2.21037209      1.03059848
+C      4.41472548      1.41516142     -0.07985946
+N      5.14826730      2.59729358      0.33368388
+C      5.66049156      2.49770664      1.70498242
+H      0.43685844     -1.12487890      0.54762947
+H      0.29423361      0.55548201     -0.02430052
+H      0.66242264      0.23799207      1.67508970
+H      2.54244221     -0.45779803     -0.68937923
+H      2.89026192     -0.79177127      0.99228988
+H      4.29117777      1.41819563     -1.18069863
+H      5.00660651      0.51119152      0.14399406
+H      4.50183293      3.39114238      0.29000934
+H      6.43252561      1.71371100      1.74634103
+H      4.89168549      2.27086955      2.46891512
+H      6.14100592      3.44725571      1.97744247 
+
+20
+-1888.3433146220955 11.930391 13.31433 -9.1597 -7.0005 -10.277 0.8474 -0.1027 2.971 9.53676 -2.67405 8.179666385 10.5297218262 0.119435211
+C      0.83532027     -0.09019711      0.03607277
+C      2.35868350     -0.13001280     -0.08606932
+C      2.99794800      1.26198865      0.04797566
+O      2.70514340      1.85661263      1.31759512
+C      4.52104911      1.25190848     -0.15593796
+N      5.17508171      0.65402648      1.01467119
+C      6.61381295      0.91584480      1.07662158
+H      0.40161436     -1.09912627     -0.00765200
+H      0.39039046      0.50225690     -0.77847171
+H      0.54044907      0.37302186      0.98749668
+H      2.65016983     -0.55911318     -1.06108635
+H      2.77063484     -0.79459613      0.69377547
+H      2.55199471      1.92155680     -0.71827205
+H      3.45837262      1.56976816      1.88171458
+H      4.86594046      2.29629452     -0.21942153
+H      4.78483662      0.75677069     -1.11344949
+H      5.02053087     -0.35696960      1.01007476
+H      6.78058000      1.99611778      1.20099406
+H      7.17045894      0.58853292      0.17537908
+H      7.04239825      0.40802441      1.95155947 
+
+15
+-1471.9796885761739 12.074231 12.24626 -8.1128 -6.0985 -9.013 1.3136 -0.1888 0.602 8.59197 -0.04287 5.013869854 6.2060324398 0.252759728
+C      0.03009757      0.53559675     -0.23536258
+C      1.37842166      0.14954992      0.28846331
+C      2.48039673      0.87956735      0.08798980
+O      3.70428375      0.43436647      0.57103787
+C      4.77265908      1.28852127      0.51214470
+N      4.68483607      2.50559162      0.14167683
+N      5.87094233      3.23365872      0.02329857
+H     -0.36888928     -0.23192578     -0.91826061
+H      0.06607483      1.48803658     -0.78255040
+H     -0.70119826      0.64122415      0.58210140
+H      1.46467744     -0.77882311      0.86088679
+H      2.51388244      1.82630339     -0.45232999
+H      5.68954393      0.76855600      0.82287501
+H      5.65426363      4.21216661      0.21307518
+H      6.60299807      2.92252007      0.67534412 
+
+15
+-1472.7200580670178 11.767118 11.95799 -8.3798 -6.3565 -9.176 1.2196 -0.2265 0.618 8.7243 -0.11857 5.013311917 6.206987132 0.25849642
+C      0.77406302     -0.13608248     -0.06198826
+C      2.25627011     -0.30759284      0.04226957
+C      2.91923304     -1.47290251     -0.03694952
+O      2.86371562      0.92124432      0.26009802
+C      4.20530101      1.02710011     -0.02494499
+N      4.91641345      1.80708349      0.68906644
+N      6.20420457      2.07983545      0.25604047
+H      0.51554457      0.50114411     -0.92068927
+H      0.38706290      0.36001469      0.84024799
+H      0.27823947     -1.10670906     -0.17252723
+H      2.36471700     -2.39050407     -0.22092034
+H      3.99519483     -1.54684378      0.10842714
+H      4.54056720      0.46858350     -0.91450193
+H      6.78136328      2.29437629      1.06800982
+H      6.63472994      1.32990279     -0.30027791 
+
+15
+-1518.0805220669934 11.849903 11.4662 -8.008 -6.2043 -8.64 0.6806 -0.8856 -0.555 8.06534 1.27111 3.542094041 4.1502577696 0.40947627
+C      0.97891167     -0.03249602     -0.05122938
+C      2.48658101     -0.01352155     -0.04332807
+C      3.17881119     -1.26967754     -0.20222321
+O      2.64484913     -2.38155078     -0.27970843
+C      3.18546921      1.17653150      0.08023627
+N      2.55662221      2.40472857     -0.00676420
+N      4.54961050      1.29198867      0.32485847
+H      0.54988884      0.38543427     -0.97764540
+H      0.54634703      0.51251905      0.80384027
+H      0.65043677     -1.07837793      0.01257984
+H      4.29877755     -1.20980114     -0.28110657
+H      1.54179086      2.37288265     -0.03168177
+H      2.92802525      3.13463327      0.59783396
+H      5.05536703      0.40963641      0.31206367
+H      5.01398174      2.00937058     -0.23154546 
+
+15
+-1512.3053947780156 10.5585 11.04311 -8.9466 -6.9837 -9.963 0.4848 -1.4472 -0.381 9.21079 1.05551 3.6593104054 6.2404757506 0.16204999
+C      1.05650890     -0.12904303     -0.37671428
+C      2.55794837      0.23072969     -0.22714365
+C      3.34905480     -0.87873772     -0.89563350
+O      3.84252012     -0.85011276     -2.01079171
+C      2.84222510      1.65750193     -0.70204613
+N      2.87959437      1.81748077     -2.07154124
+N      2.94561669      2.67576196      0.08226633
+H      0.45080489      0.57930159      0.20278549
+H      0.85227176     -1.14372710     -0.00529255
+H      0.75281044     -0.06961401     -1.42943993
+H      2.80971234      0.17905616      0.84612192
+H      3.42526758     -1.80894040     -0.27584717
+H      3.27208575      1.02917620     -2.58865660
+H      3.19571391      2.74084232     -2.36194165
+H      2.82073497      2.39502441      1.06120467 
+
+17
+-1619.4742506965226 11.640813 12.13352 -8.7996 -6.7634 -9.416 1.2228 -0.3153 0.64 8.96398 -0.04101 4.9002242864 5.6714791994 0.180391925
+C      1.04248737      0.15374734      0.25893639
+C      2.55677000     -0.02195287      0.14072644
+C      3.06441484     -1.13335787      1.06366338
+O      2.91142196     -0.47030675     -1.20045318
+C      3.32150851      1.25694358      0.40527799
+N      2.73400342      2.37985490      0.61240810
+N      3.50819786      3.51065959      0.70961614
+H      0.68587652      0.95117244     -0.40715117
+H      0.75374553      0.42864071      1.28229763
+H      0.55048138     -0.78955374     -0.01303907
+H      2.83948375     -0.89682983      2.11239452
+H      4.15057488     -1.25889208      0.95297834
+H      2.57987822     -2.08414342      0.80085653
+H      2.61296101      0.22397410     -1.81613167
+H      4.42397721      1.17276266      0.35220446
+H      3.04010401      4.21121681      1.28102106
+H      4.47776352      3.35293443      1.01236411 
+
+17
+-1648.0279871430566 10.905433 11.62511 -8.8799 -6.8844 -9.842 0.7874 -0.2568 0.997 9.06615 -0.37114 4.914929026 6.2790477952 0.18132823
+C      0.84088171     -0.04683357      0.12219110
+C      2.36420371      0.09240050      0.03472981
+C      3.07346198     -0.78162312      1.07623714
+O      2.70635287     -0.37023083     -1.29541571
+C      2.75067237      1.58530009      0.22084858
+N      3.25907123      2.17757595     -0.91454649
+N      2.65053404      2.26252424      1.31334168
+H      0.36033764      0.53434705     -0.67640204
+H      0.47097973      0.32175958      1.08702036
+H      0.55864129     -1.10187782      0.00572143
+H      2.80297843     -0.49419238      2.10097469
+H      4.16630986     -0.68773298      0.98558162
+H      2.79108656     -1.83245428      0.92500155
+H      3.67107847     -0.50486510     -1.31724026
+H      3.00359104      1.74870490     -1.79939980
+H      3.31114026      3.19224183     -0.88114536
+H      2.31445881      1.67054592      2.08009170 
+
+17
+-1616.5833903072362 11.436482 12.09759 -8.2529 -6.1863 -9.459 0.9937 0.0026 0.7 9.08176 -0.16587 5.0843806922 5.730074983 0.161254706
+C      1.08883659     -0.07460815      0.00299046
+C      2.50671758     -0.54353672     -0.30202133
+C      2.57790225     -1.53108434     -1.45592975
+O      3.33485217      0.59707319     -0.70164383
+C      3.87366857      1.34710582      0.29193741
+N      3.68530815      1.13562483      1.53856621
+N      4.42112151      1.92430212      2.43807709
+H      1.08764138      0.64661134      0.82960350
+H      0.46524782     -0.93206093      0.29465862
+H      0.63950530      0.39356097     -0.88503198
+H      2.95987335     -0.97117094      0.60622658
+H      2.17392625     -1.08442747     -2.37615988
+H      1.98686847     -2.42671475     -1.21910126
+H      3.61496442     -1.83920471     -1.64400573
+H      4.50366775      2.14776078     -0.12711566
+H      3.85337963      2.03770516      3.27850811
+H      4.63479882      2.85858378      2.06295145 
+
+17
+-1649.576413316023 11.021682 11.89545 -9.0325 -6.9914 -10.023 0.8358 -0.1155 0.962 9.30592 -0.42967 5.2799190128 9.0288588976 0.198455151
+C      1.43877060     -0.86894332      0.76013134
+C      2.19629630     -1.04685855     -0.54810241
+C      2.49870917     -2.50789381     -0.86798649
+O      1.35438971     -0.46572365     -1.57847454
+C      1.95192455     -0.04068274     -2.74704896
+N      0.96755560      0.46739267     -3.57880688
+N      3.18829068     -0.02078351     -3.08784463
+H      1.24025439      0.19326850      0.95340890
+H      2.02865008     -1.27275799      1.59444606
+H      0.47852199     -1.40327728      0.72481145
+H      3.13360407     -0.46423830     -0.49916477
+H      1.56719962     -3.09207811     -0.88546340
+H      3.16033442     -2.93560021     -0.10112226
+H      2.99175991     -2.61039249     -1.84364978
+H      0.04435224      0.06209365     -3.45507752
+H      1.27205962      0.55965132     -4.54315042
+H      3.80710706     -0.35399619     -2.34585569 
+
+17
+-1617.5119699569896 11.539515 12.03023 -8.9296 -6.879 -9.444 1.1757 -0.417 0.594 8.99401 0.02423 4.8422980272 5.647810272 0.193596
+C      1.00769765     -0.00988604      0.09873187
+C      2.53576353      0.02789635     -0.07139663
+C      2.96874392     -0.82027927     -1.27793111
+O      4.37936669     -0.90938386     -1.44333657
+C      3.02106041      1.45250355     -0.15691697
+N      3.85875735      1.83721743     -1.05274628
+N      4.19018028      3.17333234     -1.12442013
+H      0.68437180      0.58177988      0.96727256
+H      0.66040526     -1.04231737      0.24892295
+H      0.50299429      0.39489067     -0.79158122
+H      2.99268363     -0.41938371      0.83331471
+H      2.48433816     -0.41205105     -2.18757992
+H      2.60359844     -1.85020297     -1.14134087
+H      4.66066414      0.01925641     -1.58602049
+H      2.62839501      2.16705557      0.59310250
+H      5.12905123      3.27802133     -1.50482302
+H      4.08670822      3.68388074     -0.23815136 
+
+17
+-1644.6837978855465 10.909856 11.66248 -9.1053 -7.1704 -9.958 0.7129 -0.2761 0.902 9.19599 -0.28888 4.861553053 6.3070190368 0.187169162
+C      1.19934493     -0.10117386      0.23205645
+C      2.50024571      0.38806597     -0.41563705
+C      2.84616881     -0.48016546     -1.65104812
+O      4.10944924     -0.17990016     -2.22932101
+C      2.50804020      1.85277507     -0.83982338
+N      1.32427244      2.33919302     -1.36694504
+N      3.56287576      2.60002699     -0.88054322
+H      0.90792039      0.53039853      1.08311237
+H      1.32435113     -1.12653819      0.60822743
+H      0.36483152     -0.12675790     -0.48646745
+H      3.32448086      0.26879990      0.30598790
+H      2.03050312     -0.38468253     -2.39389772
+H      2.89953205     -1.53448524     -1.33953722
+H      4.10710514      0.77129119     -2.45522223
+H      0.45426852      1.97102188     -0.99702490
+H      1.32954782      3.34282547     -1.53659666
+H      4.36681237      2.08459532     -0.50424016 
+
+15
+-1516.3376762523972 10.531935 11.31615 -9.3581 -7.3846 -10.441 -0.0449 -1.8879 -0.956 10.0071 1.39304 3.3362524838 8.5771902982 0.228970305
+C      1.86412088     -0.11768735     -0.08264106
+C      3.34492804     -0.47713417     -0.03643338
+C      4.23498693      0.65493912      0.44324935
+O      3.79387300      1.75944161      0.72116621
+C      5.74796112      0.40816729      0.59510830
+N      6.21122249     -0.86162542      0.28899738
+N      6.53698539      1.30966498      1.05859824
+H      1.27161658     -0.97108321     -0.43761277
+H      1.68605242      0.73395687     -0.75196568
+H      1.50042887      0.16862131      0.91280260
+H      3.70068588     -0.78282549     -1.03850738
+H      3.53044268     -1.34812357      0.61595827
+H      5.73715724     -1.38099571     -0.44246448
+H      7.22685494     -0.92828068      0.25866746
+H      5.96769352      2.13711442      1.28913694 
+
+17
+-1618.3057630681712 11.594437 12.17139 -8.9555 -6.8839 -9.457 1.015 -0.4609 0.573 9.02283 0.02533 4.8688186326 5.6586342498 0.182711346
+C      3.11931546     -0.84492338     -1.42004018
+C      2.97722685     -0.26599113     -0.01124269
+C      3.24253559      1.24837472      0.08679726
+O      2.83778556      1.71613904      1.36586405
+C      4.67883440      1.61356487     -0.19413094
+N      5.31845597      2.29737737      0.68245810
+N      6.59837946      2.72620233      0.41514514
+H      2.83165300     -1.90541167     -1.43424907
+H      4.15140094     -0.78497322     -1.79638267
+H      2.47056816     -0.31803488     -2.13700769
+H      3.64563840     -0.78244965      0.69633638
+H      1.95061043     -0.42121817      0.35485591
+H      2.62199240      1.74437220     -0.69350091
+H      3.59925755      2.23754159      1.70134897
+H      5.12926210      1.30505219     -1.15200737
+H      7.10909887      2.85633227      1.28650726
+H      7.12068485      2.13172554     -0.23932154 
+
+17
+-1646.0007443349957 10.952008 11.71459 -8.8369 -6.8914 -9.841 0.7693 -0.2516 1.042 9.08311 -0.43144 4.9119285648 6.317210686 0.187967511
+C      3.43260102     -1.91807798      0.05134751
+C      3.24453392     -0.59859315      0.80135364
+C      3.86183730      0.62719851      0.10534069
+O      3.54903458      1.83820525      0.82148378
+C      5.38492660      0.52401262      0.00991360
+N      6.04054888      0.92789176      1.15328558
+N      6.03340748      0.01766164     -0.98218298
+H      2.94363215     -2.74005660      0.59174378
+H      4.49712534     -2.16853288     -0.05512741
+H      2.99112215     -1.87423465     -0.95618775
+H      3.67044463     -0.66810475      1.81464411
+H      2.16366521     -0.39776800      0.91715982
+H      3.47462035      0.69605962     -0.92935885
+H      2.61700399      1.78689684      1.09568880
+H      5.56749596      1.65321461      1.68749499
+H      7.04624002      1.03424552      1.04583085
+H      5.38147042     -0.26399834     -1.72332016 
+
+17
+-1614.6866990709439 11.500495 12.06653 -8.0229 -6.0216 -8.97 0.8654 -0.0672 0.878 8.51069 -0.27678 5.2731617758 5.4614345168 0.172445163
+C      1.96721993     -0.31825314      1.92684027
+C      1.75124587      0.70165721      0.79590377
+C      2.94704276      1.57459020      0.54145904
+O      3.34695830      2.50451376      1.49199403
+C      2.32932481      3.15730070      2.26092679
+N      3.67551987      1.38715882     -0.50110399
+N      4.74936101      2.24499717     -0.70017963
+H      1.06631298     -0.93114978      2.07240164
+H      2.19987831      0.17036967      2.88379598
+H      2.80343501     -0.98831776      1.68359369
+H      0.86239888      1.31757039      1.01389773
+H      1.54828015      0.17995323     -0.14843219
+H      2.85171632      3.88242528      2.89648316
+H      1.77652870      2.45271077      2.90180540
+H      1.62227890      3.69391038      1.60885680
+H      5.45638138      1.75653797     -1.24614976
+H      5.13976682      2.63006514      0.16590727 
+
+17
+-1614.4725988983664 11.535952 12.47491 -8.3095 -6.2264 -9.51 1.0225 -0.0109 0.682 9.13686 -0.16246 5.1077024588 11.5095955828 0.23220933
+C      1.20999781      2.35594838      2.02295709
+C      0.81594904      1.15949294      1.15435573
+C      1.98609276      0.66073737      0.32475070
+O      1.52761679     -0.46074166     -0.46694132
+C      2.46941789     -1.05929094     -1.23890682
+N      3.68516513     -0.66917478     -1.29604842
+N      4.56983924     -1.44377269     -2.06197546
+H      0.35817670      2.70263793      2.62368568
+H      1.55168325      3.20334968      1.40945447
+H      2.02400212      2.09788794      2.71725084
+H     -0.01099919      1.43469032      0.48052958
+H      0.44934442      0.33529229      1.78660264
+H      2.82782918      0.33107136      0.95620987
+H      2.37203854      1.44212077     -0.35204363
+H      2.04152930     -1.91273302     -1.78673920
+H      5.29877163     -0.81927010     -2.40790194
+H      4.11328538     -1.88754580     -2.86989981 
+
+17
+-1647.6694979587699 11.132868 12.26395 -9.0966 -7.0364 -10.075 0.8646 -0.0803 0.943 9.3651 -0.41925 5.282981467 9.0903931494 0.242904712
+C      0.73714760     -0.73688206     -0.17224005
+C      2.24605809     -0.76385794      0.07743125
+C      2.86410160      0.61970397     -0.05085466
+O      4.27459717      0.50442259      0.20014159
+C      5.01515890      1.66387562      0.10367985
+N      6.33007491      1.37760317      0.43134899
+N      4.63518754      2.85333398     -0.18646477
+H      0.30676433     -1.74279086     -0.07641544
+H      0.50196278     -0.37009384     -1.18283343
+H      0.22092058     -0.08510454      0.54870122
+H      2.73957247     -1.43984151     -0.63840030
+H      2.46021042     -1.15487521      1.08429972
+H      2.41446033      1.31531778      0.68058588
+H      2.69911224      1.02761661     -1.06460459
+H      6.62654280      0.42538017      0.23718787
+H      6.97845529      2.09827574      0.12858149
+H      3.62451294      2.91933634     -0.32329462 
+
+14
+-1393.8052862313182 11.123275 11.51268 -8.5774 -6.5598 -9.325 1.4363 -0.3018 0.286 8.8695 0.28413 5.4738455154 6.2626320488 0.287704278
+C      0.01077180      0.42066440     -0.00315050
+C      1.44220249      0.04683234     -0.22920939
+C      2.43690532      0.93744244     -0.26482573
+O      3.75043183      0.49868650     -0.42864676
+C      4.70310984      1.41655323     -0.73546017
+N      4.43337274      2.64417721     -0.98616976
+O      5.63936666      3.35587911     -1.24832470
+H     -0.38858978     -0.06242825      0.90300926
+H     -0.62322206      0.09162640     -0.84161166
+H     -0.11222664      1.50668994      0.10996421
+H      1.68542665     -1.01046333     -0.36999905
+H      2.31903835      2.01595020     -0.15573789
+H      5.70682265      0.98186285     -0.74403650
+H      5.29745015      4.24328695     -1.45551136 
+
+14
+-1394.7084474520566 10.837753 11.26152 -8.9382 -6.8773 -9.558 1.3632 -0.3442 0.299 8.98752 0.22025 5.5236010972 6.289003871 0.262976537
+C      0.84185547     -0.24795965     -0.09080991
+C      2.28490776     -0.63688616     -0.09568358
+C      2.77591276     -1.86545811     -0.31466406
+O      3.07775857      0.47242096      0.19581848
+C      4.38891258      0.42400448     -0.17854900
+N      5.23625433      1.04208305      0.55462342
+O      6.51476756      1.00863321     -0.06192961
+H      0.63826363      0.50447183     -0.86696136
+H      0.57446557      0.20101693      0.87716800
+H      0.20600191     -1.12312379     -0.26292968
+H      2.09243915     -2.67868802     -0.54753612
+H      3.83704649     -2.09703674     -0.24166942
+H      4.62395071     -0.09421907     -1.11672059
+H      7.05617351      1.48149109      0.59435346 
+
+14
+-1405.6481458978135 10.242739 10.90428 -9.6415 -7.511 -10.751 0.8451 -1.1231 -0.318 10.32123 0.9752 3.6677166562 6.5607687844 0.195086549
+C      1.05257469     -0.07380697      0.06514243
+C      2.49976339      0.06539293     -0.46204678
+C      2.76288108     -1.05183996     -1.46249777
+O      3.08082633     -0.90346093     -2.62537985
+C      2.76925021      1.42265579     -1.03593218
+N      3.54724810      2.21639287     -0.39865455
+O      3.66435955      3.46026902     -1.06286429
+H      0.88515395      0.62574672      0.89338560
+H      0.86457977     -1.09386115      0.43083538
+H      0.32332741      0.14516938     -0.72785635
+H      3.19198552     -0.10166061      0.38310765
+H      2.61412670     -2.07794371     -1.03212991
+H      2.29079225      1.71616060     -1.97943399
+H      4.28697103      3.93855600     -0.48581540 
+
+14
+-1458.5680926780856 9.668095 10.51601 -9.7466 -7.6035 -11.077 0.9358 -1.0615 -0.304 10.23116 0.85598 3.6508545602 12.3837092814 0.138966684
+C      0.87603945     -0.13921478     -0.09081968
+C      2.39276695      0.05819157     -0.21626383
+C      3.00232215     -0.85693324     -1.28578301
+O      2.52106680     -1.92239293     -1.61230737
+C      2.74144254      1.50911758     -0.55251887
+N      3.20971195      2.27446818      0.48424351
+O      2.61492979      1.94567387     -1.69477314
+H      0.47756533      0.39534662      0.78124453
+H      0.64933994     -1.20788158      0.00851011
+H      0.37519477      0.23607954     -0.99295822
+H      2.88476235     -0.24543000      0.72866108
+H      3.95814125     -0.49095959     -1.73310141
+H      3.20587042      1.94088691      1.44116984
+H      3.34655629      3.26720784      0.31672646 
+
+16
+-1541.81873999289 10.703531 11.41029 -9.7183 -7.6211 -10.818 1.2457 -0.4687 0.331 10.32788 0.28472 5.464930922 6.6465051034 0.198893845
+C      1.04198674      0.15711614      0.23874800
+C      2.55600114     -0.02132771      0.11922141
+C      3.07211804     -1.08857424      1.08865199
+O      2.90939055     -0.51549762     -1.20097087
+C      3.32870815      1.26377853      0.33163347
+N      2.72853030      2.37032633      0.56545939
+O      3.65440803      3.43637660      0.69323643
+H      0.67496788      0.91166240     -0.47080975
+H      0.75974969      0.48919044      1.24675927
+H      0.55208183     -0.80245807      0.02575730
+H      2.86016737     -0.80161108      2.12716148
+H      4.15590220     -1.22407744      0.97122664
+H      2.57887237     -2.04678739      0.87444968
+H      2.57343322      0.13078642     -1.84866426
+H      4.42320139      1.20912989      0.24432170
+H      3.06658110      4.19190681      0.87586811 
+
+16
+-1597.4361719930869 10.085465 10.98692 -9.1416 -7.1181 -10.67 0.7701 -0.2749 0.497 9.71011 0.16229 4.3783672124 6.7951891146 0.131129052
+C      0.85215648     -0.16861783      0.05351031
+C      2.36356510      0.03921942     -0.04347359
+C      3.11153139     -0.69548340      1.07253001
+O      2.87628141     -0.49156431     -1.29263698
+C      2.68028031      1.55728239      0.09123843
+N      3.49633353      2.05046661     -0.88379136
+O      2.22834386      2.23026691      1.01608693
+H      0.33335399      0.31956950     -0.78684440
+H      0.46953798      0.27745934      0.97965883
+H      0.61976463     -1.24249568      0.04122819
+H      2.84265992     -0.27051737      2.04740150
+H      4.19693443     -0.59824104      0.93275800
+H      2.85214980     -1.76268808      1.05205849
+H      2.17641476     -0.38521573     -1.96112913
+H      3.91637536      1.40246900     -1.54366298
+H      3.84061705      3.00038026     -0.79277224 
+
+16
+-1539.032480701955 10.577332 11.406 -8.7842 -6.7964 -10.505 1.0149 0.0459 0.382 10.02302 0.16464 5.6069816822 6.3238191398 0.169591572
+C      0.99376264     -0.40649134      0.12205303
+C      2.47218141     -0.31849607     -0.23397582
+C      2.86902438     -1.21762547     -1.39306705
+O      2.80237823      1.04838420     -0.66285339
+C      3.02124586      1.96390033      0.30000770
+N      2.95109986      1.70564207      1.55649996
+O      3.27062170      2.88685449      2.30032499
+H      0.74655171      0.28165445      0.93975375
+H      0.74978728     -1.42771976      0.44800982
+H      0.37287345     -0.16496699     -0.75285273
+H      3.08594859     -0.53504508      0.65468966
+H      2.29467374     -0.96382348     -2.29578491
+H      2.66491830     -2.26656844     -1.13794017
+H      3.93863240     -1.11708334     -1.61982388
+H      3.27153889      2.94998836     -0.10690649
+H      3.16493156      2.56932609      3.21380552 
+
+16
+-1603.8992298310525 10.189771 11.25904 -10.0132 -7.9306 -11.34 0.8427 -0.1296 0.38 10.29944 0.17248 4.8628177102 12.312677702 0.127174258
+C      0.68134122     -1.02011167     -0.32883901
+C      2.01923693     -0.35122471     -0.04238628
+C      3.14860045     -0.84594371     -0.93192690
+O      1.90682587      1.08989548     -0.29032456
+C      1.46751964      1.84083846      0.76643000
+N      1.45217973      3.17039065      0.41218792
+O      1.17401957      1.41080345      1.87169674
+H     -0.09894648     -0.62306514      0.33313329
+H      0.75762168     -2.10315591     -0.15512366
+H      0.38318877     -0.85822662     -1.37518302
+H      2.27526608     -0.47500522      1.02025433
+H      2.91172521     -0.68352080     -1.99357751
+H      3.30206027     -1.92264624     -0.77495804
+H      4.08702253     -0.32514781     -0.69971844
+H      1.47389022      3.40443500     -0.57467210
+H      0.92663830      3.77914478      1.02886723 
+
+16
+-1539.9671897625467 10.613428 11.32671 -9.8048 -7.5882 -10.757 1.1369 -0.5704 0.304 10.257 0.32415 5.4090256346 6.5597025048 0.220847107
+C      0.97291293     -0.01920727      0.05313501
+C      2.50440122      0.04213756     -0.07782152
+C      2.97427179     -0.67859892     -1.35147780
+O      4.38869382     -0.75313747     -1.48640744
+C      2.97522261      1.46939668      0.00531903
+N      3.77705138      1.95472383     -0.86916937
+O      4.08926335      3.30921122     -0.59671684
+H      0.62679831      0.47384449      0.97238001
+H      0.63256029     -1.06397235      0.08321821
+H      0.48531850      0.47555175     -0.80002084
+H      2.94698773     -0.48471498      0.78968845
+H      2.51170239     -0.18633953     -2.22967519
+H      2.61094735     -1.71740899     -1.32500002
+H      4.68470197      0.17809332     -1.54663523
+H      2.62440704      2.09438621      0.84038908
+H      4.68622933      3.53449445     -1.33302555 
+
+16
+-1592.608209365579 10.077471 10.96645 -9.1903 -7.1748 -10.674 0.7165 -0.3769 0.589 9.61265 0.0625 4.3793838976 6.7535422172 0.136263979
+C      0.72705327     -0.12165891     -0.35092638
+C      2.22093985      0.24566918     -0.34854964
+C      2.91897979     -0.11246175     -1.66825279
+O      2.40365103      0.57416529     -2.82838323
+C      2.39195310      1.70457766      0.11867895
+N      2.57015655      2.62805666     -0.87224658
+O      2.34935986      1.99812599      1.31342981
+H      0.28471293      0.08832092      0.63131551
+H      0.58751487     -1.19134105     -0.56903120
+H      0.16448688      0.46306599     -1.09529271
+H      2.71425618     -0.35032586      0.43690522
+H      2.86240767     -1.20500045     -1.82201649
+H      3.98219404      0.16355154     -1.62384928
+H      1.50537546      0.23959748     -2.99725341
+H      2.51429424      2.34983751     -1.85183185
+H      2.62329427      3.60646980     -0.60742593 
+
+14
+-1413.6413785359841 10.424697 11.00658 -9.6046 -7.6553 -11.109 -0.23 -2.1087 -1.505 9.96033 1.84651 3.2119565188 5.831185566 0.305354546
+C      1.00339067     -0.38429265     -0.02828833
+C      2.44954749      0.09418890      0.02637845
+C      2.58101043      1.59482048      0.20988745
+O      1.61386123      2.34598456      0.30381148
+C      3.94380884      2.19217270      0.28063474
+N      4.98084633      1.43517631      0.18887160
+O      6.16384647      2.17324139      0.27728144
+H      0.96571252     -1.47366909     -0.16123453
+H      0.46157548      0.08563717     -0.85972224
+H      0.46621034     -0.12860362      0.89460936
+H      3.00415619     -0.17954603     -0.88680728
+H      3.00880621     -0.39152399      0.84354678
+H      4.00963054      3.27949313      0.41163180
+H      6.84987727      1.48421075      0.19413928 
+
+14
+-1466.380140257106 9.654075 10.65326 -9.2985 -7.2733 -10.861 -0.0815 -2.0141 -1.399 10.32115 1.74104 3.1239884518 12.039226579 0.257846927
+C      0.99775478     -0.46490333      0.05538260
+C      2.45477853     -0.02290119      0.04317606
+C      2.64241596      1.46965210      0.03964032
+O      1.72968840      2.28444036      0.02513210
+C      4.12066797      1.96233703      0.05498379
+N      4.20514532      3.31664494      0.04357101
+O      5.06921457      1.18048888      0.07522123
+H      0.92889060     -1.56051352      0.05126792
+H      0.45915303     -0.08132353     -0.82148817
+H      0.47722001     -0.08979797      0.94684667
+H      3.00586287     -0.41631682     -0.82904662
+H      3.02384763     -0.41808880      0.90225174
+H      3.34323488      3.85610328      0.02945935
+H      5.11214546      3.76913859      0.05428200 
+
+16
+-1540.2334408640459 10.696402 11.47864 -9.76 -7.6126 -10.731 1.1848 -0.553 0.269 10.2739 0.33741 5.4227632834 6.529164753 0.201650116
+C      3.08470158     -0.91837991     -1.17529538
+C      2.90046431     -0.16114199      0.14048054
+C      3.22419599      1.34316815      0.06337367
+O      2.76460993      1.98603688      1.24587859
+C      4.68469698      1.60490160     -0.18712765
+N      5.30775097      2.36261177      0.63434910
+O      6.66565340      2.53267963      0.28980496
+H      2.75049758     -1.95971154     -1.07067349
+H      4.13523435     -0.94774416     -1.49967519
+H      2.49506252     -0.46326447     -1.98615167
+H      3.51022688     -0.60763116      0.94190151
+H      1.85169185     -0.22702288      0.46838773
+H      2.67304392      1.75803479     -0.80976050
+H      3.52012513      2.51095961      1.58192102
+H      5.18096329      1.16191098     -1.05937380
+H      6.98390134      3.12613268      0.99413054 
+
+16
+-1594.595138664294 10.151822 11.23289 -9.2267 -7.1841 -10.74 0.7854 -0.304 0.44 9.7662 0.2142 4.346639195 13.2244459488 0.148756218
+C      0.93008493     -0.16080231      0.40088842
+C      2.45738037     -0.22322234      0.38712913
+C      3.11601930      1.07621933     -0.07804846
+O      2.86273564      2.18468861      0.80687962
+C      4.62235524      0.86787919     -0.35626503
+N      5.43386694      1.80647268      0.21203222
+O      5.02413053     -0.06953069     -1.04341234
+H      0.50363200     -1.10207177      0.77434249
+H      0.53616715      0.00656207     -0.61282196
+H      0.55935933      0.65464618      1.03848932
+H      2.81297095     -1.02386849     -0.27724278
+H      2.84474493     -0.46873994      1.39396559
+H      2.67784005      1.37529831     -1.04673776
+H      2.84526790      1.83047525      1.71483810
+H      5.00570167      2.62850387      0.62880429
+H      6.41610307      1.81012005     -0.04259086 
+
+16
+-1534.981581305565 10.5402 11.41331 -8.8618 -6.838 -10.278 0.9719 -0.0463 0.552 9.69406 0.0859 5.7392127512 6.2289698498 0.160526583
+C      1.27909295      0.04445878      1.18549006
+C      2.14575871      0.08515085     -0.07974839
+C      3.24101342      1.11636562     -0.01537860
+O      2.74436799      2.38570197     -0.00232734
+C      3.47513934      3.46376920      0.62781281
+N      4.45663725      0.68403779     -0.02087657
+O      5.44309806      1.72189393     -0.05274846
+H      0.47221397     -0.69342500      1.07586808
+H      0.81997001      1.02330210      1.38082583
+H      1.87909125     -0.23696280      2.06299831
+H      1.51693994      0.32415866     -0.95375684
+H      2.61518357     -0.88892130     -0.26785900
+H      2.72822758      4.25039049      0.78968785
+H      4.28322875      3.82902643     -0.01587996
+H      3.89029679      3.14088660      1.59149964
+H      6.25763043      1.19121668     -0.06042741 
+
+16
+-1536.885789925485 10.689447 11.76135 -8.9608 -6.8583 -10.595 0.9696 0.0107 0.361 10.12597 0.1698 5.6260755262 13.109845689 0.229483303
+C      0.01638072      1.67212033      1.08243731
+C      0.82621067      0.42423281      0.72448505
+C      2.16117715      0.78663606      0.09952438
+O      2.86281936     -0.44696308     -0.20652402
+C      4.07064212     -0.31023588     -0.78755434
+N      4.58401648      0.83499792     -1.05950638
+O      5.86386387      0.65057196     -1.66978670
+H     -0.94785413      1.39768175      1.53112934
+H     -0.19299611      2.28496027      0.19275526
+H      0.55166823      2.30573863      1.80557258
+H      0.26110389     -0.20696262      0.02063703
+H      1.00512643     -0.18441131      1.62487247
+H      2.78585739      1.38836431      0.78048762
+H      2.03721164      1.36290658     -0.83228036
+H      4.55289634     -1.27083662     -0.99704904
+H      6.13596596      1.57220889     -1.82158019 
+
+16
+-1600.9552401076787 10.207544 11.34055 -10.0819 -7.992 -11.392 0.8833 -0.0993 0.356 10.34482 0.18578 4.8705916324 13.0941118656 0.140903588
+C      0.21977757      0.40959371      0.57984817
+C      1.48352519     -0.36853549      0.20637564
+C      2.68134044      0.55786605      0.04322559
+O      3.86473007     -0.16174943     -0.39233658
+C      4.65320071     -0.65271064      0.61682956
+N      5.75568721     -1.27204713      0.07798657
+O      4.43560352     -0.52341455      1.81130140
+H     -0.63964065     -0.26558953      0.69038524
+H     -0.03842514      1.15290845     -0.19007094
+H      0.34692575      0.94482421      1.53275352
+H      1.32743800     -0.92059963     -0.73434626
+H      1.71548645     -1.10964448      0.98663364
+H      2.90894697      1.07567449      0.98594145
+H      2.50399942      1.30048349     -0.74835913
+H      5.73034595     -1.53181153     -0.90235989
+H      6.27813854     -1.86634798      0.71088201 
+
+14
+-1477.229410523853 11.022665 11.51736 -9.2838 -7.412 -10.393 0.1042 -1.57 -0.402 9.46532 0.97017 3.9079891256 5.79572557 0.435749954
+C      2.87570381      0.11066003      1.38177234
+C      3.62475646      0.27045713      0.28316367
+C      3.42820876      1.43751701     -0.62296893
+O      2.52607351      2.26082967     -0.50722740
+N      4.34160319      1.46491386     -1.69360047
+C      5.76921065      1.73783331     -1.52208720
+C      4.85600380      2.71529179     -2.21195861
+H      3.01764101     -0.73697574      2.05226791
+H      2.09827173      0.83910725      1.62195498
+H      4.40829846     -0.44305270      0.01575442
+H      6.44881268      1.11714061     -2.11132000
+H      6.11498626      1.99812137     -0.51819531
+H      4.56624795      3.62127234     -1.67389169
+H      4.89028174      2.79864406     -3.29994371 
+
+16
+-1603.5742823753094 10.752209 11.80679 -9.5483 -7.3984 -10.744 0.9493 -0.9813 0.111 9.92443 0.53794 3.6889926538 12.5802146928 0.225287276
+C      1.86671727     -0.18894413      0.56021343
+C      2.59948142     -0.23658855     -0.78758472
+C      1.76032979     -1.05098589     -1.76475164
+O      1.92370790     -2.23431990     -1.99101586
+N      2.74442010      1.11913772     -1.32800447
+C      3.90821972      1.86891173     -0.84089527
+C      3.88977564      1.32331899     -2.22884396
+H      2.44479587      0.41027233      1.27756803
+H      1.74379226     -1.20086513      0.96796289
+H      0.87715431      0.27601868      0.44645071
+H      3.57175796     -0.75754371     -0.66433452
+H      0.94038124     -0.46446776     -2.25468785
+H      4.57152725      1.37519147     -0.12281808
+H      3.74127806      2.93334738     -0.66346786
+H      3.70495523      1.98271658     -3.07881027
+H      4.53756597      0.46505019     -2.43397057 
+
+18
+-1736.5077310746838 11.199434 12.32001 -9.1427 -7.0593 -10.63 0.9746 0.099 3.097 9.924 -3.24865 8.7116531152 12.5742633648 0.179967005
+C      1.48234715      0.14537990      0.24790686
+C      2.86726907     -0.12509933     -0.33797533
+C      2.74384478     -0.95063254     -1.62389504
+O      3.99584273     -1.26763218     -2.23584731
+N      3.53098972      1.15323246     -0.65012160
+C      4.10453031      1.85985899      0.50152927
+C      4.99525864      1.17955741     -0.47905148
+H      1.55419536      0.71869729      1.18238812
+H      0.96154362     -0.79721623      0.46834491
+H      0.87237858      0.72568042     -0.45986601
+H      3.47103416     -0.70839164      0.39248220
+H      2.08541942     -0.40900986     -2.32909296
+H      2.27091550     -1.91623681     -1.38949726
+H      4.37495951     -0.42748401     -2.54854036
+H      4.00776950      1.39030727      1.48657431
+H      3.99643461      2.94649328      0.49171553
+H      5.54655259      1.76762713     -1.21704568
+H      5.48527473      0.25691847     -0.15340818 
+
+16
+-1622.0300099897543 10.743948 11.94827 -9.2552 -7.3101 -10.509 1.1033 -0.3173 0.466 9.61816 0.25511 4.148447574 12.7509434148 0.133402935
+C      1.07525916      0.16928515      0.76377305
+C      2.38839501      0.65249189      0.15725762
+C      2.66650664      0.06876693     -1.22097384
+O      2.03580754     -0.85910238     -1.70988396
+N      3.80238218      0.61362663     -1.84962727
+C      3.84698204      1.96391447     -2.40942834
+C      3.87261551      0.74803295     -3.29253226
+H      0.94457611      0.57704101      1.77520064
+H      1.05270766     -0.92628328      0.82222923
+H      0.21695283      0.48046354      0.15302044
+H      3.24378697      0.37347192      0.79573116
+H      2.42393085      1.75257240      0.09253951
+H      4.76397171      2.52885214     -2.22494633
+H      2.92290623      2.54888040     -2.39405088
+H      2.96691862      0.49850687     -3.85090024
+H      4.81373093      0.43672937     -3.75044855 
+
+18
+-1746.903634207163 11.478395 12.43986 -8.7774 -6.7453 -10.223 0.9799 -0.9362 0.134 9.90194 0.50834 3.7384754664 12.1720899766 0.161545383
+C      1.06483839     -0.22917870      0.14804187
+C      2.53705947     -0.00352258     -0.23452404
+C      2.81221541     -0.93613909     -1.41169361
+O      3.26740768     -2.05915664     -1.31480365
+N      2.82162602      1.37486042     -0.65154770
+C      2.39127479      2.38238509      0.31557901
+C      4.24894984      1.53148737     -0.93767546
+H      0.80528247      0.31114439      1.06721476
+H      0.89219696     -1.29816313      0.32919992
+H      0.39600749      0.10709864     -0.65804128
+H      3.18243738     -0.33082765      0.61147092
+H      2.50286382     -0.50700936     -2.40202604
+H      1.30174726      2.36431738      0.44091028
+H      2.66372029      3.37611970     -0.06676559
+H      2.86546365      2.26028675      1.31482982
+H      4.56881992      0.80686168     -1.70058337
+H      4.88755982      1.38298091     -0.03909818
+H      4.43600933      2.53941480     -1.33309766 
+
+20
+-1880.9757746191926 11.732149 12.78138 -8.6083 -6.6139 -9.671 0.8188 -0.1159 2.952 8.84241 -2.64942 7.3828331602 10.851502692 0.120610079
+C      0.82687761     -0.45280740     -0.00138686
+C      2.28973238     -0.04790865     -0.21813603
+C      2.97334295     -0.90863313     -1.29362814
+O      4.29621205     -0.45228790     -1.53692909
+N      2.53462644      1.37819373     -0.54940419
+C      1.71560226      1.89899657     -1.64477326
+C      2.47706778      2.25737748      0.61467435
+H      0.34248544      0.16718416      0.76643188
+H      0.77286916     -1.49781677      0.33708104
+H      0.23891781     -0.37360236     -0.92741981
+H      2.84526821     -0.21674347      0.72009742
+H      2.37005644     -0.90080141     -2.22596838
+H      3.02395693     -1.95412234     -0.95003966
+H      4.22723652      0.51599937     -1.36122410
+H      1.77954052      1.23649981     -2.51840880
+H      2.10272188      2.88389476     -1.94377594
+H      0.64610074      2.02262440     -1.37708127
+H      3.14855654      1.87982629      1.39839567
+H      1.45797481      2.35843249      1.04512272
+H      2.81823354      3.26350437      0.32896246 
+
+18
+-1773.9475719593474 11.456514 12.61413 -8.8317 -6.899 -10.022 0.7384 -0.1858 0.631 9.36339 0.08782 4.3071992484 12.3908260778 0.262316319
+C      1.17417891      0.24741665      0.39785455
+C      2.40719485      0.16023675     -0.49750999
+C      3.66341621     -0.23065864      0.28852932
+O      3.61554015     -0.44967757      1.50222184
+N      4.84542026     -0.33109316     -0.42079364
+C      5.00073034     -0.04615167     -1.83742947
+C      6.07308951     -0.65900376      0.29088221
+H      0.29346916      0.53161058     -0.19461017
+H      1.31738535      0.99049076      1.19278800
+H      0.97361768     -0.71460309      0.88637184
+H      2.58106057      1.12595621     -1.00047486
+H      2.24036646     -0.57643248     -1.30129464
+H      4.03096029      0.06952090     -2.32833556
+H      5.53607945     -0.87376664     -2.33135855
+H      5.58504976      0.87781372     -1.99731892
+H      5.82241891     -0.83216046      1.34234336
+H      6.79872311      0.16791099      0.21669002
+H      6.53372904     -1.56520910     -0.13447534 
+
+16
+-1642.458939954115 11.981411 12.643 -8.6537 -6.6619 -9.13 1.2158 -0.4225 0.239 8.59053 0.46724 4.2787196642 5.282051572 0.294646393
+C      0.94185624      0.12999386      0.53049960
+C      2.37497138     -0.31846543      0.26511361
+C      3.31702582      0.84767578     -0.02503880
+O      2.96663260      2.02271618     -0.04274713
+N      4.63024592      0.46130637     -0.27202017
+C      5.65564181      1.36157179     -0.55850269
+C      6.93004764      1.01830890     -0.80048782
+H      0.30033423     -0.73778109      0.73433627
+H      0.53377029      0.67123541     -0.33280469
+H      0.89618325      0.80847813      1.39209219
+H      2.41367246     -1.01415737     -0.59082540
+H      2.77467633     -0.87772306      1.12859950
+H      4.85391834     -0.53118663     -0.24156964
+H      5.30853296      2.39543700     -0.56610229
+H      7.26990097     -0.01909974     -0.79104217
+H      7.66701975      1.78839991     -1.01600036 
+
+18
+-1726.8140196596423 12.36231 13.49901 -8.9822 -6.9599 -10.373 1.6845 -0.0799 0.576 9.8764 0.03303 5.4266936396 6.43053389 0.378295176
+C      0.88723405     -0.03463658      0.65760094
+C      2.36290881     -0.08016927      0.25526890
+C      2.98278251      1.30753104      0.23187191
+O      4.36461694      1.16382752     -0.14814916
+N      4.95608291      2.44369639     -0.20818132
+C      6.19490679      2.36794513     -0.53640861
+C      7.00648426      3.61384886     -0.65965451
+H      0.45080283     -1.04270247      0.66738422
+H      0.29843812      0.57624310     -0.04332998
+H      0.75808341      0.39388461      1.66300658
+H      2.47150488     -0.53709422     -0.74126404
+H      2.92871643     -0.71324756      0.95725062
+H      2.92408430      1.78683384      1.22487670
+H      2.47012158      1.96086292     -0.49537279
+H      6.66328451      1.39141584     -0.72806264
+H      6.39322124      4.49620980     -0.43971850
+H      7.42082254      3.71044849     -1.67554530
+H      7.86282388      3.59199258      0.03258697 
+
+13
+-1379.1739054152413 11.282322 11.216 -9.7922 -7.8273 -10.397 -0.3297 -2.0244 -0.845 9.86532 1.42873 3.9774956772 5.6078495842 0.576068644
+C      0.86600531      0.07741220     -0.17799611
+C      2.19257086      0.04658717     -0.00184102
+C      2.99643309      1.30149966     -0.05074762
+O      2.52368490      2.41644811     -0.24003095
+N      4.37028023      1.09497647      0.14143224
+C      5.31449990      2.12493847      0.13290099
+N      6.57974869      2.02160590      0.29537483
+H      0.26397585     -0.83026314     -0.14613742
+H      0.36557294      1.03068449     -0.35929468
+H      2.71207500     -0.89914280      0.18050451
+H      4.70096128      0.14299512      0.29216003
+H      4.85304618      3.10336203     -0.03660617
+H      6.87038578      1.04231635      0.44439139 
+
+15
+-1451.708467470572 11.284349 11.51021 -9.3546 -7.3202 -9.891 1.2115 -0.5089 0.774 9.69541 -0.27873 4.9244511508 6.8171098394 0.519518338
+C      1.22800925     -0.80371983      0.72010433
+C      2.15917835     -0.25597090     -0.06707056
+C      2.45699328      1.20811476     -0.10180422
+O      3.87676884      1.36858265      0.16537906
+N      4.20994995      2.74805689      0.07189323
+C      4.74091017      3.28056549      1.25732947
+N      4.68290151      2.81936034      2.44642816
+H      1.01140619     -1.87217509      0.68842415
+H      0.64277662     -0.19812757      1.41642669
+H      2.73998930     -0.88080130     -0.75266573
+H      1.86810838      1.75954742      0.64908777
+H      2.23627973      1.62961424     -1.09923561
+H      4.81695051      2.87887880     -0.74401152
+H      5.19941123      4.26248809      1.06213842
+H      4.24706668      1.88416602      2.43199636 
+
+15
+-1506.5073316549367 11.207562 11.75644 -8.8394 -6.7912 -9.732 1.1422 -0.7535 0.205 9.18934 0.43833 3.6907408564 5.9071765854 0.284762828
+C      1.23783743     -0.32416621      0.35693313
+C      2.24907928     -0.27090772     -0.80201198
+C      2.20731799     -1.61128922     -1.53259401
+O      3.01942201     -2.50418411     -1.38319618
+N      1.88247555      0.77045029     -1.74826506
+C      2.76812059      1.65997671     -2.00995210
+N      2.57655668      2.64050650     -2.95349892
+H      1.24197916      0.63478609      0.89330821
+H      1.49461605     -1.12697432      1.06150448
+H      0.22185514     -0.49338479     -0.02773320
+H      3.27370832     -0.15345739     -0.39496659
+H      1.33735903     -1.71589309     -2.23086108
+H      3.76736478      1.68928289     -1.53574584
+H      1.62303294      2.75896279     -3.28827253
+H      3.13052504      3.48614156     -2.87753831 
+
+17
+-1601.6126684910203 11.186707 11.67057 -9.1926 -7.19 -10.254 0.8068 -0.1317 0.825 9.62049 -0.32387 4.933154968 8.8701940134 0.272080471
+C     -1.00295407     -1.19891532      0.53781338
+C      0.10049249     -2.03867942     -0.08654709
+C     -0.02207522     -3.52474068      0.21903572
+O     -0.00111163     -1.77251000     -1.52197999
+N      1.12203258     -2.31657072     -2.19982764
+C      0.79321243     -3.17266040     -3.25995464
+N     -0.30433537     -3.78038012     -3.50022590
+H     -0.87699842     -0.13650777      0.29095432
+H     -0.98288687     -1.30923871      1.63022138
+H     -1.98847978     -1.52720914      0.17719489
+H      1.08821207     -1.67056874      0.24678464
+H     -1.01690504     -3.90027253     -0.06204843
+H      0.12255804     -3.70201680      1.29458886
+H      0.73969885     -4.09787093     -0.32564629
+H      1.73634359     -1.54435005     -2.47899734
+H      1.67407839     -3.34497796     -3.89770884
+H     -1.01819205     -3.47838071     -2.82006703 
+
+17
+-1635.5541962759937 11.088069 11.84028 -8.5827 -6.6402 -9.479 0.6792 -0.3688 1.068 8.66475 -0.52552 5.0188664898 8.7051934446 0.289694995
+C      1.19066121     -0.62326385      0.53805358
+C      2.41858682     -0.23528209     -0.30016280
+C      2.67081459     -1.20512707     -1.45407643
+O      1.57411077     -1.09114827     -2.37686871
+N      2.32592470      1.11470293     -0.84586987
+C      2.54784241      2.25923858     -0.11226504
+N      3.01796039      2.41017542      1.07782477
+H      1.01289816      0.12182656      1.32444382
+H      1.33855760     -1.60268899      1.01641280
+H      0.29688592     -0.67963778     -0.09758689
+H      3.32078329     -0.27221145      0.33576362
+H      2.74617450     -2.23296733     -1.05574117
+H      3.62332899     -0.94122860     -1.94590301
+H      1.77666095     -1.63113430     -3.15761167
+H      1.77467374      1.19959637     -1.69680828
+H      2.29898114      3.16600310     -0.68293344
+H      3.21149482      1.50413676      1.52816872 
+
+17
+-1634.1459790794258 11.005007 11.90331 -8.6552 -6.6891 -9.953 0.7539 -0.2141 0.455 9.5252 0.23745 4.2894692504 12.8281123012 0.176368548
+C      1.43624645     -0.31476276      0.30210608
+C      2.94573975     -0.21757514      0.09567217
+C      3.41835967      1.23072198     -0.01860560
+O      2.65040902      2.19043030      0.13447894
+N      4.74983922      1.44276566     -0.30398499
+C      5.81011068      0.45288177     -0.19193702
+N      5.22222783      2.78755691     -0.20718110
+H      1.13210383     -1.36661550      0.39193340
+H      0.89330326      0.13541771     -0.53904032
+H      1.12859366      0.21900446      1.21012662
+H      3.24530000     -0.77117109     -0.80922901
+H      3.47625692     -0.69743196      0.93553358
+H      5.40729591     -0.55222904     -0.34839350
+H      6.30011286      0.50694385      0.79422342
+H      6.56986129      0.64145147     -0.96357936
+H      4.42021155      3.29599683      0.19655818
+H      5.29702812      3.14512458     -1.16868148 
+
+15
+-1523.8359485521657 10.93801 11.58577 -9.6518 -7.7955 -10.612 0.8599 -0.9294 -0.313 10.05111 0.82286 4.2086799728 5.925228947 0.323761871
+C      1.10870106      0.00009700      0.40400624
+C      2.58505632     -0.20776752      0.07856311
+C      3.37528838      1.09227413      0.11013643
+O      2.88116091      2.17950510      0.38088904
+N      4.74243038      1.01922783     -0.18812644
+C      5.50964146     -0.09640937     -0.52199328
+N      6.76059561     -0.13571615     -0.79082289
+H      0.57830009     -0.96093367      0.38119681
+H      0.63677518      0.67652350     -0.31987503
+H      0.98301498      0.44557843      1.39886349
+H      2.70334798     -0.66678409     -0.91716907
+H      3.04548835     -0.91257166      0.79126332
+H      5.20902787      1.92780132     -0.14585724
+H      4.93971424     -1.03174125     -0.54716226
+H      7.19345719      0.79930641     -0.73667224 
+
+17
+-1598.4824152596664 11.322571 12.01452 -9.2941 -7.2477 -10.275 0.8321 -0.1086 0.806 9.64658 -0.30978 4.9359198558 8.9225533012 0.30134032
+C      3.80687460     -3.02484102      2.12537653
+C      2.34379785     -2.57736113      2.15982934
+C      1.83978094     -2.20058469      0.77683801
+O      0.45846626     -1.78900013      0.91508129
+N     -0.06730904     -1.48030259     -0.36783848
+C     -1.17252455     -2.26171839     -0.73343281
+N     -1.57352902     -3.37236457     -0.24602965
+H      4.15704658     -3.29397418      3.13097683
+H      4.46342922     -2.22702490      1.74684368
+H      3.94309191     -3.90490690      1.47912070
+H      2.22543093     -1.71241356      2.83157111
+H      1.71003426     -3.38257576      2.56423846
+H      1.89830317     -3.05460044      0.08023294
+H      2.42929005     -1.36833588      0.35190251
+H     -0.24258758     -0.47132535     -0.41451210
+H     -1.67620977     -1.82571836     -1.61001974
+H     -1.00171580     -3.60982215      0.57933137 
+
+12
+-1324.270220045959 10.179018 10.43468 -9.8885 -7.8658 -10.999 -0.5445 -2.2882 -1.152 10.18858 1.72062 3.9095637478 5.6643500044 0.518279175
+C      0.48649759      1.21897222     -0.06579714
+C      1.23844237      0.11136482     -0.05980486
+C      2.71777604      0.19855232     -0.21648851
+O      3.33940012      1.24459458     -0.34982635
+N      3.36064808     -1.05418033     -0.19906505
+C      4.73584119     -1.23475338     -0.32791176
+O      5.25624003     -2.33674796     -0.31002340
+H     -0.59629714      1.17469756      0.04721513
+H      0.95929480      2.19562263     -0.18633209
+H      0.78542459     -0.87687373      0.05941000
+H      2.81117870     -1.90695712     -0.08789581
+H      5.27677363     -0.27655162     -0.44543017 
+
+14
+-1396.6089663895866 10.772089 11.20397 -9.7947 -7.7386 -10.166 1.0917 -0.6792 0.028 10.27102 0.51742 4.220979384 6.8114684764 0.359622057
+C      0.76352865     -3.35195072     -1.51498115
+C      0.41400224     -2.51176087     -0.53603747
+C      0.75214699     -1.05707280     -0.53282096
+O      1.48298499     -0.78124957      0.69867778
+N      1.69025941      0.60857201      0.82788692
+C      1.14271509      1.22352749      1.93409355
+O      1.50782256      2.31540143      2.34342363
+H      0.46160917     -4.39982769     -1.50110441
+H      1.35505385     -3.01659886     -2.37032858
+H     -0.17336197     -2.86896990      0.31534450
+H     -0.16005636     -0.43573714     -0.54006137
+H      1.37192216     -0.78609150     -1.40445762
+H      2.63371131      0.89674443      0.55252242
+H      0.30815189      0.62471372      2.36239276 
+
+16
+-1546.6571335918907 10.579861 11.27044 -9.6545 -7.6402 -11.065 1.72 -0.1864 0.088 10.22864 0.45226 4.2286913132 6.4899975756 0.201962999
+C     -0.51851669     -1.64429730      1.32017901
+C      0.54773313     -1.17113848      0.34396053
+C      1.64962916     -2.19121446      0.10846346
+O     -0.01384521     -0.92477405     -0.99090023
+N     -0.87455962      0.18995676     -0.97486753
+C     -2.18098235     -0.00809661     -1.36632964
+O     -2.92076113      0.89963871     -1.71834391
+H     -1.32268674     -0.90307945      1.41709918
+H     -0.07704078     -1.79177616      2.31618707
+H     -0.95085033     -2.59982536      0.98861606
+H      0.98320830     -0.21806430      0.69555840
+H      1.23001442     -3.12626826     -0.28978677
+H      2.15720078     -2.41807074      1.05545018
+H      2.39291271     -1.80999246     -0.60390638
+H     -0.41961936      1.04775180     -1.30119967
+H     -2.47828629     -1.07612966     -1.27431976 
+
+16
+-1585.9942819370062 10.231851 11.01421 -9.7072 -7.4602 -10.836 0.6178 -0.399 0.065 10.09556 0.54309 4.3453001462 6.173200947 0.161888951
+C      0.89640048     -0.12441011      0.04968025
+C      2.40592345     -0.00399034     -0.15698369
+C      2.86333325     -0.77087623     -1.41809451
+O      4.22266366     -1.15494362     -1.40849329
+N      2.74038237      1.43709057     -0.20329252
+C      3.96096085      1.98516408     -0.42499977
+O      4.99313036      1.38014539     -0.72864409
+H      0.56378302      0.44300070      0.93160324
+H      0.62015546     -1.17430309      0.20806268
+H      0.34652266      0.24441419     -0.82985628
+H      2.93639543     -0.45201088      0.70158012
+H      2.60032428     -0.16348328     -2.30884524
+H      2.28027164     -1.70367374     -1.47147056
+H      4.73708669     -0.32964362     -1.23236641
+H      2.00424571      2.08722478      0.06363011
+H      3.94700071      3.09157519     -0.30947004 
+
+16
+-1555.356171737651 10.414952 11.33005 -8.6271 -6.6837 -10.335 0.7253 -0.2514 0.169 9.86236 0.51978 4.3836242188 11.5256021754 0.163700288
+C      2.24747616     -0.68693965     -0.50967076
+C      3.36172574      0.35825870     -0.53517526
+C      3.32911195      1.25308273      0.69553495
+O      2.41894443      1.22646685      1.54877241
+N      4.36671034      2.11292299      0.89404488
+C      5.38226906      2.58325634     -0.01387427
+O      4.20822039      2.95608204      2.01003971
+H      2.28579630     -1.30309705     -1.41793842
+H      1.26206650     -0.20794119     -0.45001243
+H      2.34468942     -1.34515205      0.36352692
+H      3.26784352      0.99171208     -1.43415813
+H      4.34645013     -0.13140336     -0.60495472
+H      5.45858827      1.88588764     -0.85355207
+H      6.35148257      2.62709971      0.50282225
+H      5.13262727      3.58759748     -0.39349544
+H      3.34325796      2.58358676      2.35250036 
+
+14
+-1469.8440175264197 9.899267 10.88403 -9.8581 -7.7771 -11.247 0.6483 -1.2557 -0.649 10.3904 1.11295 4.0519492702 12.605222669 0.273106523
+C      1.09916955     -0.83566302      0.70959736
+C      2.33569313     -0.05662579      0.27602579
+C      2.04840139      1.41380811      0.00771544
+O      0.95711291      1.94154932      0.14855194
+N      3.17466311      2.14004035     -0.42632303
+C      3.16986357      3.49518427     -0.74705258
+O      4.16635651      4.08360390     -1.13001447
+H      1.35493754     -1.88762223      0.89098035
+H      0.31887032     -0.79499495     -0.06119358
+H      0.67300928     -0.41664500      1.63000350
+H      2.77655307     -0.48975345     -0.63839762
+H      3.12717215     -0.11118439      1.04364841
+H      4.07146492      1.66459075     -0.53498971
+H      2.17220254      3.95586214     -0.61419182 
+
+16
+-1543.5484918524612 10.716021 11.63231 -9.7609 -7.6887 -11.078 1.4512 -0.1969 0.075 10.24964 0.45957 4.2291252642 6.5067728814 0.215828416
+C      0.97809491     -0.55866155     -0.01254939
+C      2.44229107     -0.11299234     -0.00819161
+C      2.56907974      1.39659231      0.09920611
+O      3.98522160      1.71415671      0.09064793
+N      4.16551017      3.10896415      0.19145155
+C      4.85613148      3.57476321      1.28907179
+O      5.36011427      4.68695571      1.34447889
+H      0.90399114     -1.65166707     -0.08922500
+H      0.42815477     -0.12764197     -0.86248652
+H      0.46137573     -0.25413139      0.90976720
+H      2.94532595     -0.44894049     -0.92850755
+H      2.97873759     -0.57598107      0.83495136
+H      2.11849279      1.77554333      1.03274518
+H      2.07748753      1.90053980     -0.75219761
+H      4.36196150      3.55313830     -0.71024798
+H      4.84884976      2.83284236      2.11877566 
+
+13
+-1355.0656405735488 11.697496 11.27338 -9.1587 -7.3377 -9.79 0.0766 -1.6044 -0.482 9.45074 1.14801 4.095133594 5.1772338076 0.620526092
+C      0.49366006      0.63608128      1.40777474
+C      1.33123709      0.06263215      0.53432192
+C      2.64848672      0.69099297      0.25194733
+O      3.06643767      1.72174884      0.77662036
+N      3.45689135      0.04292977     -0.68539095
+N      3.10898263     -1.09084525     -1.33787699
+C      3.94858640     -1.57419008     -2.18322271
+H     -0.47838669      0.19769084      1.63358571
+H      0.77635006      1.56275220      1.91112140
+H      1.08743634     -0.86057249      0.00911216
+H      4.36149587      0.49999173     -0.86304340
+H      3.66371867     -2.48729440     -2.70536986
+H      4.92571383     -1.11485756     -2.39954973 
+
+13
+-1340.821738267332 11.369543 11.10204 -8.9768 -6.9751 -10.128 -0.8716 -2.659 -1.468 10.0432 1.88719 2.9642076936 4.8289571336 0.544490114
+C      0.16572363      0.46255867      0.27459338
+C      0.76125827     -0.89806862      0.11001934
+C     -0.16519930     -2.07773480      0.24658898
+O     -1.35156165     -1.92609944      0.49947408
+N      2.03495941     -0.98887820     -0.13961815
+N      2.50404589     -2.31536373     -0.27825473
+C      3.76726095     -2.32492508     -0.50789662
+H      0.93635730      1.22908871      0.14405500
+H     -0.29610094      0.55835303      1.26806346
+H     -0.64485410      0.61451124     -0.45277751
+H      0.29031128     -3.07734040      0.10502152
+H      4.25214622     -3.29574002     -0.63601517
+H      4.35551305     -1.39837133     -0.57477358 
+
+15
+-1476.408648034151 11.602087 11.61446 -8.9772 -6.9913 -9.662 0.1581 -1.508 0.036 9.16911 0.69286 4.1726124454 5.5427817314 0.652520664
+C      0.52025855      0.30637406     -0.11422616
+C      1.73121257     -0.57832084     -0.04743377
+C      1.52023836     -1.99794701     -0.53709603
+O      2.39633612     -2.99639578     -0.06834720
+N      2.82490005     -0.02541575      0.37748987
+N      3.94251325     -0.89233648      0.39256918
+C      5.04063972     -0.27195870      0.62129023
+H      0.79699244      1.35115621      0.06273936
+H     -0.21690836     -0.00497272      0.64214891
+H      0.02669689      0.21843889     -1.09423022
+H      1.52727367     -1.92762907     -1.65033566
+H      0.49064658     -2.29543781     -0.27137349
+H      3.24528728     -2.51892861      0.11371297
+H      5.96226115     -0.85684201      0.65200528
+H      5.06295175      0.81495561      0.78024677 
+
+17
+-1611.005494040688 11.714741 12.07677 -8.7225 -6.7246 -9.334 1.1135 -0.6044 0.435 8.73932 0.11351 4.6805706888 5.3688665692 0.342682119
+C      0.93187284     -0.09592090     -0.12685488
+C      2.45507632     -0.04207138     -0.20948722
+C      2.98083707     -0.84691201     -1.40620831
+O      4.39019237     -1.03235057     -1.39753373
+N      2.85257955      1.37341618     -0.33203164
+N      4.17981583      1.61553447     -0.49460598
+C      4.66304239      2.76522181     -0.17607684
+H      0.55299990      0.51480853      0.70658593
+H      0.59873616     -1.12793113      0.04373997
+H      0.47407371      0.27272783     -1.05643495
+H      2.89298428     -0.48367403      0.70766171
+H      2.63839040     -0.34835189     -2.33595847
+H      2.53042745     -1.85133816     -1.37627602
+H      4.75786423     -0.13370299     -1.24023701
+H      2.37801393      1.99924703      0.33300604
+H      5.71862550      2.94453941     -0.37549048
+H      4.05418808      3.56665781      0.27117188 
+
+17
+-1635.1751173705868 11.037466 11.95608 -8.9214 -6.8958 -10.29 0.8281 -0.1647 0.468 9.65081 0.19767 4.32029217 12.9284045766 0.130417384
+C      1.11859823      0.20147716      1.41238696
+C      2.09959554     -0.03345073      0.26013436
+C      2.97272397      1.18736511      0.00441886
+O      2.52491888      2.33389997     -0.08296465
+N      4.31754035      0.92691033     -0.13354099
+N      5.18936714      1.93786908     -0.60820164
+C      5.92606001      2.55981075      0.50742650
+H      0.42601161     -0.64486600      1.51207653
+H      0.53631078      1.11399980      1.23176240
+H      1.65107886      0.32179249      2.36653031
+H      1.54007338     -0.22247025     -0.67115240
+H      2.72093505     -0.92344541      0.44910325
+H      4.61371248     -0.02224131     -0.35213220
+H      4.55474166      2.64784340     -0.99843440
+H      6.63175816      1.83145296      0.92965504
+H      5.26939001      2.93376186      1.31140898
+H      6.50652390      3.39736080      0.09659309 
+
+15
+-1500.7151926878005 11.393806 11.73382 -9.1434 -7.2831 -9.905 0.7078 -1.0699 -0.173 9.31971 0.69071 4.3419029298 5.3933042098 0.537197806
+C      0.61484975      0.52115566     -0.16578396
+C      2.09282266      0.17923659     -0.00962632
+C      2.97791630      1.41083014     -0.04373823
+O      2.57411243      2.56219283     -0.16994467
+N      4.34985048      1.19180447      0.08030004
+N      4.89469233     -0.03881848      0.22381778
+C      6.17360511     -0.12000751      0.32996785
+H      0.00944015     -0.39459723     -0.13354378
+H      0.42371966      1.03037821     -1.11943873
+H      0.27523632      1.19080070      0.63508000
+H      2.43671165     -0.51074225     -0.79656715
+H      2.28903326     -0.35476585      0.93398812
+H      4.93672520      2.03680938      0.05638406
+H      6.60428815     -1.11447995      0.44503765
+H      6.84208656      0.75496327      0.31039736 
+
+16
+-1546.8499640322607 10.445397 11.30618 -9.4327 -7.4818 -10.82 0.9664 -0.161 0.304 9.84545 0.35777 4.2316545786 12.832303028 0.137662445
+C      0.57490971      0.25428123     -0.24903007
+C      2.05535944      0.14552578      0.10129212
+C      2.76550927      1.48589034      0.04747924
+O      2.21337814      2.56418846     -0.14914102
+N      4.15430552      1.45579867      0.17562920
+O      4.73515388      0.35120078      0.85301662
+C      5.72249662     -0.26279284      0.00775676
+H      0.09236659     -0.72951088     -0.17509536
+H      0.43552149      0.63356017     -1.27003407
+H      0.05909348      0.94676250      0.42857010
+H      2.57746313     -0.55533225     -0.56956213
+H      2.20044215     -0.26505327      1.11412447
+H      4.55719501      2.34182499      0.49619795
+H      6.11032155     -1.10825885      0.58974300
+H      6.54259811      0.43663148     -0.22003069
+H      5.27480592     -0.62359630     -0.93105613 
+
+12
+-1269.938365884081 10.571648 10.51435 -10.1514 -8.2077 -10.61 -0.043 -1.8109 -0.608 10.02066 1.18621 4.1639210268 5.7748835234 0.499507642
+C      0.98743043     -1.83185420      1.43287595
+C      1.93920456     -1.87859436      0.49262159
+C      3.13343626     -1.00141503      0.58613097
+O      3.38400078     -0.19553602      1.44953145
+O      3.94249747     -1.27231675     -0.52481094
+N      5.13178882     -0.47828575     -0.54269460
+C      5.81785627     -0.78227969     -1.57698161
+H      0.10489571     -2.46888000      1.37958569
+H      1.08317237     -1.14654422      2.27704604
+H      1.87687978     -2.55111911     -0.36444001
+H      6.75401360     -0.23428772     -1.69544080
+H      5.51659397     -1.53556716     -2.31417374 
+
+16
+-1530.5653752357364 10.825102 11.39041 -9.607 -7.4618 -10.898 0.99 -0.8879 0.123 10.47783 0.4281 5.2000596302 6.551110275 0.41337148
+C      2.51114523     -3.06649071      0.32586819
+C      2.71112110     -1.91568496     -0.64671994
+C      2.90344057     -2.38684094     -2.08775862
+O      3.36497863     -1.36935086     -2.96877184
+O      1.50740782     -1.09495240     -0.50554616
+N      1.59542039      0.04868138     -1.30851274
+C      0.57252183      0.80921044     -1.17780142
+H      2.29091970     -2.68777252      1.33237911
+H      3.42374906     -3.67452366      0.37711765
+H      1.67893458     -3.71090749      0.00805143
+H      3.57524444     -1.29548257     -0.35147508
+H      1.94863586     -2.83057353     -2.43701476
+H      3.66447745     -3.18353453     -2.09817988
+H      2.84569443     -0.57034128     -2.73359468
+H      0.56729659      1.71800533     -1.77880946
+H     -0.25894768      0.57329828     -0.50449179 
+
+14
+-1415.6112476315834 10.329223 10.96546 -10.0796 -8.0665 -11.326 0.8942 -1.0533 0.032 11.06921 0.48526 4.4082354398 6.9743736818 0.553940758
+C     -0.16606859     -0.91756620     -0.00517066
+C      1.27231618     -1.30728334     -0.32915219
+C      2.24346235     -0.15797917     -0.14694180
+O      1.98783039      0.95437561      0.23797393
+O      3.51805683     -0.60881833     -0.50558416
+N      4.52122192      0.40442385     -0.36583941
+C      5.65117587     -0.07736306     -0.71631383
+H     -0.83448790     -1.77634556     -0.15077463
+H     -0.50800263     -0.09817470     -0.65078162
+H     -0.25852726     -0.57737192      1.03433407
+H      1.37093695     -1.66943511     -1.36493752
+H      1.61817522     -2.13873263      0.30619612
+H      6.49456268      0.61196669     -0.65006828
+H      5.79988799     -1.10601615     -1.06500003 
+
+18
+-1739.6602812877454 11.288863 12.53183 -9.2574 -7.1375 -10.532 0.9015 0.0001 2.987 9.84492 -2.65223 8.3903929906 11.776562238 0.12381178
+C      2.70587042     -0.87165217     -0.61419853
+C      2.32507205      0.40672624      0.12310929
+N      3.37002923      1.42703287     -0.01631173
+C      3.26950391      2.31404461     -1.18884502
+C      2.97230200      2.82536955      0.18049646
+C      3.97050706      3.65584958      0.97064088
+O      5.29958031      3.18976296      0.78253110
+H      1.93095539     -1.63940116     -0.48116404
+H      3.65764520     -1.26917527     -0.23562204
+H      2.81904995     -0.68650573     -1.69229986
+H      2.20661059      0.20395031      1.19981436
+H      1.34857177      0.78378286     -0.24738650
+H      2.41654993      2.16472720     -1.85972957
+H      4.21692896      2.56601638     -1.67017059
+H      1.91585206      3.01371011      0.40981853
+H      3.68682717      3.62486443      2.04225978
+H      3.93350014      4.70861204      0.64693703
+H      5.19970385      2.21530519      0.69486046 
+
+16
+-1607.2470128696923 11.111208 12.18891 -9.427 -7.3304 -10.862 0.8867 -1.0062 -0.099 9.98616 0.72802 3.678726613 10.279865239 0.169917959
+C      0.86967534      0.56816194     -0.71404755
+C      1.58445956      1.90940579     -0.59809246
+N      2.76276435      1.79150293      0.27339443
+C      4.00500819      1.42287495     -0.37676505
+C      3.78369624      2.84163470      0.09204922
+C      4.45544666      3.31755209      1.32948524
+O      5.00476943      4.40004975      1.43752138
+H     -0.03386547      0.66854048     -1.33108675
+H      0.57519894      0.19929807      0.27780067
+H      1.51744751     -0.18750341     -1.18181996
+H      0.91873878      2.65942141     -0.14325312
+H      1.86294521      2.28313250     -1.60599158
+H      4.01363745      1.28906039     -1.46474870
+H      4.66707557      0.76025633      0.18628718
+H      3.63399330      3.59650515     -0.68774227
+H      4.42317894      2.58138692      2.17448931 
+
+14
+-1498.2328676591035 11.418844 11.524 -8.5768 -6.6807 -8.995 1.0064 -0.6151 0.255 8.37873 0.45527 4.3849012746 5.1592062432 0.346871609
+C      1.16504376     -0.10654951      0.51501316
+C      2.41616962      0.03669244      0.04529004
+N      3.06031793      1.24965127     -0.13349506
+C      2.64508451      2.64479792      0.10263492
+C      4.04366258      3.08832603     -0.40719092
+C      4.33577033      1.58625046     -0.60174774
+O      5.25909152      0.90250713     -0.99199377
+H      0.73697801     -1.10035674      0.62339933
+H      0.54896085      0.74744577      0.79756860
+H      3.03828819     -0.81430499     -0.23935809
+H      2.43613185      2.85916173      1.16107332
+H      1.79309987      2.95261780     -0.52125939
+H      4.04720981      3.66757992     -1.33874334
+H      4.68704117      3.57501077      0.33615894 
+
+16
+-1637.9513684886072 10.879948 11.85043 -9.0176 -7.0972 -10.009 0.7865 -0.1522 0.717 9.58193 -0.000460000000004 4.48457362 5.936077722 0.148811811
+C      3.06034912     -0.30252246      1.60218016
+C      2.78979455      0.16434387      0.17028633
+N      3.14280577      1.55143260     -0.05946968
+C      2.58310544      2.81925811      0.43989581
+C      3.63574109      3.55384830     -0.43525087
+C      4.09880661      2.14142983     -0.86522461
+O      4.94457968      1.67522148     -1.60695665
+H      2.78163522     -1.35964503      1.71576058
+H      2.47596523      0.27710786      2.33122258
+H      4.12542213     -0.19720994      1.85073580
+H      1.72719658      0.01268823     -0.08875767
+H      3.38787676     -0.41685431     -0.54689901
+H      2.69412080      2.96212696      1.52600346
+H      1.53335083      2.98300834      0.14755806
+H      3.22869814      4.15795373     -1.25527918
+H      4.39258205      4.12744243      0.11370488 
+
+16
+-1612.8769753559725 10.893719 11.87659 -8.9399 -6.9119 -10.543 0.9581 -0.9018 0.297 9.72288 0.45719 3.7628883098 12.6283088622 0.141600269
+C      2.39495533     -0.44972679     -1.46323645
+C      2.41422071      0.10755675     -0.04438860
+N      3.22564773      1.31584843      0.05365092
+C      2.67858831      2.54782582     -0.58523568
+C      3.02576582      3.30321590      0.70357200
+O      3.08231809      4.46336560      1.02940090
+C      3.29262574      1.96057554      1.39444917
+H      1.79310934     -1.36805794     -1.50744392
+H      3.41422869     -0.68087903     -1.80247106
+H      1.95515817      0.27016699     -2.16949327
+H      2.84753306     -0.63729480      0.64239321
+H      1.37033122      0.29635545      0.30131470
+H      1.57960284      2.53131364     -0.74089004
+H      3.17274218      2.86993762     -1.51384636
+H      4.24439465      1.84258103      1.93429671
+H      2.45245810      1.69740581      2.06995777 
+
+18
+-1740.5482027491253 11.358268 12.44171 -8.609 -6.5781 -10.014 0.9399 0.0145 3.066 9.21775 -2.82033 7.8965071582 11.9637686994 0.101573175
+C      2.31963060     -0.49389316     -1.39947900
+C      2.40109650      0.07413785      0.01369241
+N      3.19186406      1.29448484      0.06322775
+C      2.62187870      2.52933097     -0.53837241
+C      3.28123746      3.33915735      0.60795306
+O      4.55134830      3.89848174      0.30349137
+C      3.31560529      1.98890665      1.36934691
+H      1.73162860     -1.42212496     -1.41084526
+H      3.32439207     -0.71078349     -1.78859736
+H      1.83406787      0.21569733     -2.08596545
+H      2.87740569     -0.65854415      0.68618244
+H      1.37247829      0.25308358      0.40861651
+H      1.51330506      2.56753413     -0.48025720
+H      2.94611052      2.75787515     -1.56535173
+H      2.68985461      4.14853401      1.05188222
+H      5.08652824      3.18569777     -0.09300575
+H      4.22383292      1.75606373      1.94743061
+H      2.42135523      1.86330065      2.01526088 
+
+18
+-1741.0084769230234 11.470942 12.98833 -8.6924 -6.5735 -9.996 1.0084 0.073 3.318 9.26393 -3.04731 8.0242003396 12.9455890362 0.188646254
+C      1.11111181     -0.10848135     -0.40684202
+C      2.61148668     -0.19520838     -0.15229999
+N      3.16976728      1.12659386      0.15822400
+C      4.58590524      1.10495630      0.41879307
+C      5.52973260      1.24517113     -0.76652406
+C      5.35833493      2.37364069      0.22420280
+O      6.36976478      2.64379412      1.17202844
+H      0.70395704     -1.09276992     -0.67653443
+H      0.89587120      0.59553414     -1.22285853
+H      0.57421085      0.23730708      0.49038453
+H      3.12571495     -0.56409289     -1.05520576
+H      2.81391981     -0.93932123      0.64873636
+H      2.68118984      1.51966101      0.96854410
+H      4.96495525      0.46392573      1.22963045
+H      5.08093582      1.37066163     -1.75259029
+H      6.46098998      0.67948643     -0.72652804
+H      4.77908237      3.24133986     -0.10940195
+H      7.10625957      3.06972180      0.69856129 
+
+18
+-1746.247490434054 11.331215 12.67438 -9.2857 -7.0852 -10.645 0.8521 -0.1009 2.911 10.02554 -2.58163 8.4962770346 10.4991096828 0.16353287
+C      1.10684641      0.12626059      0.19620966
+C      2.59918587      0.00146861     -0.14802325
+N      2.87453599     -0.61571890     -1.46339397
+C      3.29387362      1.34766704     -0.08133438
+C      3.77824862      1.92239449      1.24059821
+C      4.76597407      1.43609511      0.22316306
+O      5.56122129      2.42389869     -0.39922069
+H      0.96132781      0.56347304      1.19591751
+H      0.61389589     -0.85746040      0.17938619
+H      0.59486342      0.77465838     -0.53275320
+H      3.07212578     -0.65560577      0.60472036
+H      2.43200063     -0.04958091     -2.19539096
+H      2.41658786     -1.53061816     -1.51136016
+H      2.92822791      2.09452497     -0.79480999
+H      3.64261917      1.33428247      2.15000525
+H      3.70642034      3.00243267      1.37055353
+H      5.28276737      0.49176587      0.43040531
+H      5.75676795      2.10737220     -1.29949247 
+
+18
+-1741.923403797419 11.195583 12.40206 -9.0035 -6.8297 -10.45 0.8667 -0.0637 2.882 9.77557 -2.58327 8.3106327968 11.0757685688 0.074997173
+C      1.09608143      0.10208702      0.21228432
+C      2.60116595      0.04087874     -0.09968817
+N      2.94459030     -0.69397651     -1.32592116
+C      3.17431062      1.45082407     -0.19237911
+C      3.14103627      2.34997181      1.06203984
+C      4.63844904      2.55451826      0.77881727
+O      4.63411832      1.50259103     -0.22800819
+H      0.88490664      0.61839506      1.16163551
+H      0.68083362     -0.91340867      0.28425617
+H      0.55372358      0.62957668     -0.58917047
+H      3.12492583     -0.46400711      0.73128272
+H      2.42015419     -0.30717480     -2.11724029
+H      2.65232379     -1.67011911     -1.23867730
+H      2.75628286      1.95405057     -1.09019884
+H      2.94482629      1.78875223      1.98605380
+H      2.49640972      3.23662101      1.02561732
+H      4.88603933      3.53579192      0.33571815
+H      5.34372222      2.33604779      1.59573844 
+
+18
+-1743.3065401712088 11.078404 12.29433 -9.2335 -7.0639 -10.602 0.8004 -0.1621 2.587 9.91829 -2.25482 8.2396880076 10.546621118 0.133186169
+C      0.61454171     -0.03676820      0.06014246
+C      2.07837074     -0.24272307     -0.36483093
+N      2.25166396     -0.61746140     -1.78077358
+C      2.93374685      0.98566202     -0.04181354
+C      2.76735518      2.20084834     -0.92617011
+C      3.42232853      1.14449559      1.34077155
+O      4.30997824      0.68508834      0.30331234
+H      0.53023897      0.23581343      1.12340630
+H      0.03666170     -0.95824371     -0.10168313
+H      0.13946064      0.76209117     -0.53078471
+H      2.51039801     -1.06481825      0.22879310
+H      1.64753855     -0.03799548     -2.37131854
+H      1.93653956     -1.57995354     -1.91877902
+H      3.42641795      3.01005884     -0.58739292
+H      1.73086658      2.57036697     -0.91168976
+H      3.03738686      1.95114574     -1.96217765
+H      3.16519133      0.39461986      2.09911911
+H      3.62951465      2.14901337      1.72813903 
+
+18
+-1735.7626043840255 11.260414 12.59692 -8.7716 -6.6791 -10.014 0.8914 -0.0482 3.003 9.30488 -2.75314 7.8014222948 12.5020539184 0.102060154
+C      0.80570917     -0.28911284      0.38217415
+C      2.17435497     -0.40600685     -0.27823952
+N      3.19416911      0.31524029      0.49061868
+C      4.52083432      0.24986861     -0.07674164
+C      5.65341975      0.89735153      0.74142995
+O      6.51727923     -0.25849297      0.54130723
+C      5.40645611     -1.03160691      0.00407990
+H      0.03977289     -0.80312988     -0.21506877
+H      0.51680391      0.76540198      0.49203110
+H      0.80749322     -0.74762058      1.38333059
+H      2.14237975      0.04492885     -1.28473120
+H      2.42552453     -1.47906233     -0.42432808
+H      3.21318806     -0.04117485      1.45179058
+H      4.47767040      0.64051160     -1.10529628
+H      5.39236136      1.03302270      1.80764282
+H      6.10414382      1.82394010      0.35470864
+H      5.68151669     -1.53965734     -0.93375801
+H      5.03391272     -1.77551112      0.73457985 
+
+18
+-1741.1941237676615 11.087022 12.24277 -9.3856 -7.1175 -10.724 0.8023 -0.1636 2.794 10.04312 -2.49475 8.4839528262 10.7908983352 0.082354203
+C      1.03963930      0.01848978      0.17879450
+C      2.55209810     -0.01052736     -0.08410146
+N      2.94948635     -0.70008659     -1.32472241
+C      3.14006594      1.39809391     -0.11082768
+C      3.20124529      2.17815482      1.22014732
+O      4.64694470      2.31580550      1.13279339
+C      4.67646435      1.51474323     -0.08962279
+H      0.79821573      0.51874333      1.12988795
+H      0.62981587     -1.00118889      0.22517061
+H      0.51742073      0.55753834     -0.62816832
+H      3.04215871     -0.55586678      0.74404255
+H      2.46575248     -0.27251895     -2.12130430
+H      2.63647102     -1.67391541     -1.29614438
+H      2.67446585      1.97747607     -0.92525226
+H      2.90049970      1.59699019      2.11137823
+H      2.69844207      3.15904063      1.24198770
+H      5.14184916      2.06564611     -0.92189263
+H      5.20229468      0.55632207      0.05479398 
+
+18
+-1745.786222191903 11.310772 12.86924 -9.3643 -7.1585 -10.756 0.8844 -0.0738 2.748 10.1133 -2.46423 8.4954463284 10.7885921956 0.15428847
+C      1.11497735      0.15703742      0.20882061
+C      2.58999793     -0.05483894     -0.15723552
+N      2.83038978     -0.61296231     -1.50221369
+C      3.36052691      1.24804529     -0.04845114
+O      3.56290842      1.77011631      1.28289767
+C      4.71552489      1.32936173      0.51493000
+C      5.70693784      2.38637854      0.11243527
+H      1.01780924      0.57579449      1.22139819
+H      0.56307600     -0.79379527      0.17343475
+H      0.63549179      0.85472987     -0.49682282
+H      3.03733751     -0.75635271      0.56731968
+H      2.34247296     -0.04014579     -2.19902447
+H      2.40416810     -1.54119868     -1.56349060
+H      3.07341051      2.01501219     -0.78568808
+H      5.14670158      0.39001986      0.88625558
+H      5.19364365      3.28450282     -0.25674842
+H      6.36640612      2.00501373     -0.68156084
+H      6.33686940      2.67484143      0.96672383 
+
+18
+-1750.8791952534077 11.181684 12.37532 -9.0902 -6.9486 -10.757 0.7795 -0.2047 2.838 10.40149 -2.473 8.4059160378 10.5030648362 0.158273229
+C      0.97107151      0.31581363      0.14286367
+C      2.43539335      0.02302967     -0.18253445
+N      2.55137169     -0.39346776     -1.59844671
+C      3.31421607      1.26168632     -0.03459232
+O      3.00203313      2.26443527     -0.97695886
+C      3.75395960      1.74053913      1.30950577
+C      4.76740386      1.09746002      0.36973228
+H      0.87071742      0.65655041      1.18210433
+H      0.35218307     -0.58587909      0.02029665
+H      0.58071241      1.10326528     -0.51614050
+H      2.80919820     -0.74777393      0.52095608
+H      1.83388572     -1.08284338     -1.83201763
+H      3.45944195     -0.83573746     -1.76165159
+H      2.83571631      1.75556209     -1.80189257
+H      3.43843034      1.18295817      2.19328600
+H      3.81329069      2.82113724      1.44095441
+H      5.48394146      1.76201435     -0.11287192
+H      5.14184322      0.10271005      0.62109734 
+
+18
+-1735.0100219527321 11.395862 12.94591 -8.9121 -6.7659 -10.317 0.8846 -0.0631 2.921 9.57544 -2.63937 8.1178965598 11.3427228254 0.38828595
+C      0.91277638      0.11932552      0.23230343
+C      2.32497115     -0.45320981      0.22925515
+N      3.31718476      0.58644714     -0.06024533
+C      4.69328262      0.09582678     -0.00640973
+C      5.65740872      1.19363877     -0.39246553
+C      6.34846494      2.00985711      0.62254968
+O      7.04675349      0.96563461     -0.08409115
+H      0.17295871     -0.67216197      0.41612669
+H      0.68381367      0.59609434     -0.73097003
+H      0.79177988      0.87531226      1.02398233
+H      2.41341837     -1.22256029     -0.55662208
+H      2.52187239     -0.96878356      1.19528939
+H      3.20714643      1.34595531      0.61895050
+H      4.78765431     -0.72903151     -0.73346503
+H      4.99267145     -0.31487237      0.98252007
+H      5.47927266      1.64391886     -1.37675818
+H      6.16786746      1.80668066      1.68453746
+H      6.66392260      3.02985817      0.37900239 
+
+18
+-1741.2659748211797 11.20072 12.57637 -9.3483 -7.1514 -10.788 0.8215 -0.1505 2.764 10.12087 -2.48966 8.5494298328 11.100218608 0.160590248
+C      0.80772130     -0.56922581     -0.01558170
+C      2.28373312     -0.20036916     -0.22185580
+N      2.95792608     -0.95950741     -1.29229311
+C      2.44119403      1.30499993     -0.48585604
+C      3.87927885      1.76341829     -0.53305350
+C      4.58311680      2.06228820     -1.78615203
+O      4.10423856      3.13247170     -0.94377876
+H      0.36557701     -0.02157241      0.83135305
+H      0.69835979     -1.64529281      0.18569740
+H      0.21800876     -0.33221442     -0.91583086
+H      2.82972137     -0.43596609      0.71039747
+H      2.46397127     -0.80258751     -2.17760967
+H      2.87530798     -1.96207311     -1.10309758
+H      1.92331352      1.86188639      0.31247916
+H      1.94009906      1.57606278     -1.43186577
+H      4.49455736      1.45707110      0.32422052
+H      4.04989409      1.94323694     -2.73580327
+H      5.67191105      1.95761339     -1.83825952 
+
+20
+-1885.3219771530264 12.082105 13.62966 -8.6539 -6.5315 -10.115 0.9604 0.021 3.19 9.38034 -2.94789 8.139618907 12.0544024654 0.208490974
+C      1.24064777      0.74771618      0.24751885
+C      2.64954724      0.46819905     -0.26292726
+N      3.49768535      1.65725178     -0.16117493
+C      4.87116122      1.42345762     -0.61498618
+C      5.74528904      2.66706819     -0.45747359
+C      5.25558446      3.85830399     -1.26940518
+O      6.20276648      4.92571793     -1.09441849
+H      0.60380814     -0.14189233      0.14276236
+H      0.78185470      1.57514667     -0.31183290
+H      1.25051835      1.02345316      1.31386878
+H      2.60785686      0.18165261     -1.32802458
+H      3.07828533     -0.40712473      0.27630528
+H      3.52235439      1.96243161      0.81784233
+H      4.82358895      1.13878339     -1.68174014
+H      5.35625300      0.57066276     -0.08931000
+H      6.77354760      2.42587717     -0.77055861
+H      5.80461042      2.95876370      0.60554108
+H      4.24893549      4.15782274     -0.93260972
+H      5.18017609      3.57157876     -2.33679742
+H      5.85903910      5.70818975     -1.55672968 
+
+14
+-1487.9202815741037 11.84935 11.66322 -8.6027 -6.7747 -8.984 0.8426 -0.8616 -0.049 8.35399 0.74263 4.2209669854 5.4550864336 0.29968069
+C      0.99728204     -0.33021284     -0.43030773
+C      2.30039818     -0.13671605     -0.17949027
+N      2.89715343      1.10975065      0.09026288
+C      2.09908941      2.23948807      0.38827316
+C      2.37177687      3.48794471     -0.01227597
+C      4.29536391      1.18847387      0.17063609
+O      5.05432313      0.27245894     -0.09721891
+H      0.63438655     -1.34240968     -0.59644314
+H      0.27542245      0.48340758     -0.49357908
+H      3.02762137     -0.94870728     -0.17033416
+H      1.23031301      2.01159044      1.01217829
+H      3.19863799      3.72030555     -0.68338796
+H      1.75073104      4.31282237      0.33344918
+H      4.62240063      2.18514366      0.53082762 
+
+20
+-1891.3196840226356 11.855786 13.13361 -9.1723 -6.9908 -10.556 0.8772 -0.1038 3.04 9.87771 -2.80205 8.5595966848 10.5274280852 0.115983042
+C      1.29997926     -0.77168713     -0.07878320
+C      2.78271542     -0.68072883     -0.46674029
+N      3.05568861     -0.98361502     -1.88591881
+C      3.35047141      0.70520503     -0.11998312
+C      4.86122143      0.85877440     -0.33779830
+C      5.72732479      0.08483825      0.65526375
+O      5.50326558      0.45001285      2.02738542
+H      1.15349659     -0.59601817      0.99846885
+H      0.88887550     -1.76404751     -0.31793459
+H      0.70861667     -0.01959242     -0.62677768
+H      3.33258649     -1.43800452      0.11973525
+H      2.49713425     -0.35633229     -2.47526846
+H      2.73191399     -1.92974004     -2.10345434
+H      3.10862756      0.93189869      0.93059212
+H      2.81827423      1.45664833     -0.73152860
+H      5.13045798      1.92890794     -0.28034369
+H      5.11886127      0.52085410     -1.35480020
+H      6.79382985      0.20768775      0.38949553
+H      5.50763495     -0.99238059      0.60902277
+H      5.74153416      1.38931919      2.12161759 
+
+16
+-1633.9304734462462 12.123356 12.12992 -8.1326 -6.2705 -8.735 0.3819 -1.1782 -0.588 8.16695 1.31973 3.4887056694 4.1900820728 0.399589622
+C      0.99600999     -0.07050039     -0.16838660
+C      2.50054272     -0.03615674     -0.14033112
+N      3.09634109     -1.24382223     -0.42811392
+C      3.17626316      1.15059041      0.07469262
+C      2.43749276      2.45866893      0.21722166
+C      4.62069363      1.18591243      0.19137867
+O      5.30546789      2.19915585      0.35743171
+H      0.61841982      0.40554921     -1.08693051
+H      0.57388215      0.48483138      0.67938873
+H      0.60990543     -1.09855775     -0.14234143
+H      2.56782417     -2.08553065     -0.22449006
+H      4.10227109     -1.33244145     -0.32245297
+H      1.80517607      2.49048669      1.11958294
+H      1.79033430      2.67173504     -0.64760402
+H      3.17686840      3.26577418      0.29876424
+H      5.14754734      0.19422511      0.14893005 
+
+16
+-1638.616039763343 12.156746 12.3306 -8.3336 -6.4767 -9.042 0.5789 -0.9619 -0.412 8.7709 1.1099 3.5551001724 4.558035325 0.423133958
+C      0.91750655      0.03146827      0.06799718
+C      2.40370771     -0.19041499     -0.03875463
+N      2.74558191     -1.51460906     -0.18291669
+C      3.26648142      0.87255596      0.05377355
+C      4.72288849      0.93473824     -0.01653212
+C      5.55303108     -0.33172227     -0.21715877
+O      5.30391599      2.02292064      0.08691801
+H      0.68812902      1.08597326      0.25178870
+H      0.49445222     -0.56666519      0.88972670
+H      0.41087453     -0.27514302     -0.86123133
+H      2.01989541     -2.16137477     -0.46994549
+H      3.69006451     -1.77015300     -0.44590233
+H      2.81067659      1.85081918      0.21018284
+H      5.37689129     -1.05931563      0.59056180
+H      6.61305701     -0.05467524     -0.21834523
+H      5.31946627     -0.80964237     -1.18282220 
+
+18
+-1749.0521234118846 12.158631 13.15561 -9.2517 -7.0873 -9.265 0.8929 -0.3016 1.24 8.74326 -0.61041 6.3147061688 6.3147061688 0.388176598
+C      0.89603961     -0.11145503      0.04141136
+C      2.43321173     -0.03922097     -0.06136697
+N      3.00965894     -0.83562684     -1.15345714
+C      2.88342072      1.39915178     -0.13588884
+C      3.77194657      1.90778579     -1.00146483
+C      4.17560199      3.35035577     -1.02234212
+O      5.58743366      3.52595455     -0.79972717
+H      0.52018718      0.46302142      0.90245405
+H      0.56543234     -1.15371250      0.16043107
+H      0.42998168      0.29779157     -0.86833401
+H      2.84546901     -0.45699326      0.87804578
+H      2.59478354     -0.53754273     -2.04275844
+H      2.74641341     -1.81640252     -1.03232292
+H      2.40693890      2.07146616      0.58890320
+H      4.27444674      1.24493631     -1.71309662
+H      3.58225075      3.92480574     -0.28567050
+H      3.99333133      3.79330396     -2.01449685
+H      5.80940190      3.02121080      0.00351094 
+
+18
+-1750.5895205176187 11.734954 12.45889 -9.4465 -7.2583 -9.544 0.782 -0.4612 1.228 8.90999 -0.58631 6.540633458 6.540633458 0.407026926
+C      1.17186172     -0.52249854      0.44695646
+C      2.35101423      0.10620317     -0.29891118
+N      2.62741468     -0.53713613     -1.61476170
+C      2.26043154      1.61195660     -0.51527330
+C      1.18247395      2.34178450     -0.19571042
+C      3.50237674      2.26119420     -1.09551332
+O      3.80553658      1.83895473     -2.42663448
+H      1.04154035     -0.08185185      1.44589601
+H      1.34165052     -1.60157128      0.57436717
+H      0.23219749     -0.39421035     -0.11184982
+H      3.26531386     -0.06162831      0.30197795
+H      1.77072526     -0.52058975     -2.17830304
+H      2.86525169     -1.52280888     -1.47455218
+H      0.28562686      1.90760978      0.24892822
+H      1.17123759      3.41998740     -0.36725737
+H      4.35708154      2.04983143     -0.41580170
+H      3.37061116      3.35335661     -1.12376430
+H      3.63713423      0.86396667     -2.41978301 
+
+20
+-1894.8069699574944 11.788947 12.8702 -9.2876 -7.0856 -10.452 0.759 -0.1925 2.723 9.86695 -2.42478 8.3261310468 11.7633081346 0.107738311
+C      1.31855843     -0.44334352      0.37416161
+C      2.80696137     -0.15751381      0.61028385
+N      3.68153119     -1.18515227     -0.01565613
+C      3.25437192      1.24810864      0.14200186
+C      2.38989860      2.36033290      0.75019240
+C      4.73500411      1.51685374      0.48162503
+O      5.66309259      0.69034131     -0.20673175
+H      0.66681806      0.22861517      0.94963748
+H      1.07593953     -1.47437132      0.67240694
+H      1.06471730     -0.33200906     -0.69279227
+H      3.00685238     -0.21352913      1.69682745
+H      3.42618835     -1.28651573     -1.00405034
+H      3.50572552     -2.09612681      0.41632641
+H      3.15702042      1.28518524     -0.96063946
+H      2.41143844      2.32281064      1.85155376
+H      1.34110661      2.29788814      0.43197780
+H      2.76710718      3.34755740      0.44633168
+H      4.85924156      1.43130583      1.58435770
+H      4.97814561      2.55839301      0.21418069
+H      5.27385081     -0.21796034     -0.13691471 
+
+20
+-1898.6939363776712 11.696089 12.76515 -9.3907 -7.2731 -10.677 0.7442 -0.2302 2.694 9.98534 -2.36976 8.4086933242 10.2557623606 0.117175004
+C      0.87700108     -0.06656136     -0.07920467
+C      2.39948681      0.05533511      0.03191606
+N      3.13650024     -0.68629109     -1.01700021
+C      2.94913570      1.51735149      0.05050659
+C      2.54735371      2.30846208     -1.20653769
+C      2.51470192      2.25995898      1.31446587
+O      4.38227728      1.41913540      0.10902319
+H      0.35978368      0.48262942      0.72086064
+H      0.57262785     -1.12113309     -0.00665523
+H      0.51463193      0.32009491     -1.04430839
+H      2.72463663     -0.38107411      0.99179600
+H      2.67959518     -0.56563423     -1.92550020
+H      3.12624082     -1.68806878     -0.81794228
+H      2.88185185      1.79681030     -2.12147413
+H      3.04232670      3.28883080     -1.18168759
+H      1.46131605      2.47215926     -1.27104331
+H      2.77290766      1.67924905      2.21164575
+H      1.43544135      2.46491139      1.31873928
+H      3.04467379      3.22108721      1.36920926
+H      4.57798978      0.64352724     -0.46549894 
+
+16
+-1590.8325351106853 11.898006 13.49282 -9.2857 -7.1104 -9.342 0.9198 -0.2525 2.343 8.89301 -1.91103 4.196740121 10.1735844398 0.682925301
+C      0.95928108     -0.02489942      0.01049255
+C      2.50248339     -0.02559921     -0.03802903
+N      3.09225520     -0.75724323     -1.17968679
+C      3.00803798      1.34900282     -0.01950397
+C      3.37099184      2.50896527     -0.02584398
+C      3.86907296      3.87565449     -0.01424202
+O      2.83755676      4.77929313     -0.45413629
+H      0.58987650      0.49062085      0.90859432
+H      0.58547471     -1.05926294      0.02413049
+H      0.54954601      0.48680640     -0.87203703
+H      2.87154694     -0.52776141      0.87560144
+H      2.81980216     -0.28864628     -2.04921221
+H      2.68420159     -1.69582572     -1.21552941
+H      4.75539787      3.93883687     -0.67417942
+H      4.20202971      4.12851506      1.01080370
+H      3.21916529      5.67444333     -0.43831235 
+
+20
+-1897.3027902370825 11.824376 12.942 -9.2972 -7.1752 -10.497 0.7238 -0.2471 2.846 9.90924 -2.57875 8.4224557702 12.5776233854 0.070019565
+C      1.58233648     -0.92509325      0.02709048
+C      3.06737068     -0.54895083      0.08660728
+N      3.90680152     -1.31371128     -0.87211111
+C      3.28141355      0.95588927     -0.14331530
+C      4.73078855      1.45858801      0.02178938
+C      5.28595811      1.26259253      1.43806961
+O      5.60494226      0.88690350     -0.95749872
+H      0.99933707     -0.38945361      0.79178211
+H      1.44256890     -2.00451978      0.19060399
+H      1.15658398     -0.67280092     -0.95782280
+H      3.44779202     -0.80484948      1.09032512
+H      3.50301259     -1.23139029     -1.81159480
+H      3.88195598     -2.31037395     -0.63995605
+H      2.62863677      1.51178312      0.54998584
+H      2.94529102      1.21064396     -1.16463468
+H      4.72073017      2.54323503     -0.18903291
+H      5.36103789      0.19598799      1.69782580
+H      4.65681432      1.76117548      2.19257386
+H      6.29700193      1.68742298      1.49401313
+H      5.34128621     -0.06586849     -1.00404025 
+
+16
+-1633.5615153745296 11.709459 11.96137 -8.6557 -6.7407 -9.193 1.2221 -0.4604 0.038 8.59344 0.5894 4.2607540928 5.1283585264 0.38324355
+C      2.42733759     -0.31656507      1.76121683
+C      2.23951225      0.29091420      0.37103557
+N      3.05349307      1.49561898      0.16145592
+C      2.63175074      2.74857509      0.61532714
+C      1.49270277      3.02923776      1.26943602
+C      4.26769534      1.37367115     -0.49443324
+O      4.73031034      0.32550735     -0.92229603
+H      1.77003405     -1.18935474      1.87833485
+H      2.18735734      0.40316887      2.55513182
+H      3.46476111     -0.65040558      1.89562941
+H      1.18997101      0.56244255      0.18684770
+H      2.55169346     -0.42355454     -0.40144195
+H      3.34409880      3.54394042      0.38182677
+H      0.75349499      2.27646792      1.53791427
+H      1.28645059      4.05895001      1.55247383
+H      4.78490655      2.35417562     -0.59313892 
+
+20
+-1881.156782569076 11.968196 12.99443 -8.6913 -6.704 -9.854 0.8933 -0.0245 3.199 9.02211 -2.9412 7.6753161342 11.0890846652 0.144288121
+C      1.03096259     -0.33500732      0.11711972
+C      2.44235462     -0.13731428      0.66348145
+N      3.02454335      1.17506407      0.33636288
+C      2.37351437      2.25777424      1.07337727
+C      4.48382549      1.18491103      0.53326355
+C      5.18158406      0.53831404     -0.66550867
+O      4.71259751      1.11680347     -1.87891221
+H      0.69154930     -1.36002787      0.32244160
+H      1.01007271     -0.17709404     -0.97058836
+H      0.30347638      0.34744005      0.57755282
+H      3.09772027     -0.90722324      0.23075400
+H      2.44951821     -0.29786639      1.76547800
+H      1.30446754      2.29806079      0.82669495
+H      2.81915377      3.21860833      0.78272058
+H      2.47003799      2.14527271      2.17522048
+H      4.78862773      0.69212095      1.48207167
+H      4.80246281      2.23680392      0.58827091
+H      5.02537935     -0.55916059     -0.66617172
+H      6.26671115      0.71220864     -0.60094862
+H      3.76450081      1.29756148     -1.68975030 
+
+18
+-1775.22297531063 11.37452 12.41194 -8.7772 -6.8813 -9.974 0.7598 -0.1639 0.628 9.37707 0.0667 4.3125802408 12.314413506 0.283132154
+C      2.05589311     -0.07082150     -1.69565703
+C      2.31772456      0.11999385     -0.20044105
+N      2.89144046      1.42996332      0.12771145
+C      1.95766329      2.53964735      0.23485778
+C      4.26457057      1.54060878      0.20900472
+C      4.84446002      2.90878543      0.54341513
+O      5.00285768      0.56638785      0.02979163
+H      1.60172003     -1.05546644     -1.87762077
+H      2.99909822     -0.01993050     -2.25619068
+H      1.36962353      0.69105755     -2.09350090
+H      3.03061892     -0.63567525      0.15299600
+H      1.38312795      0.01379675      0.37423234
+H      1.18509052      2.31693376      0.98921555
+H      1.44988944      2.73477226     -0.72509036
+H      2.47250068      3.45574821      0.53577892
+H      4.60899457      3.65469756     -0.22932827
+H      5.93106703      2.79147301      0.59952242
+H      4.47699942      3.28957802      1.50721315 
+
+18
+-1747.4318623199483 11.575147 12.71133 -8.8024 -6.7769 -10.232 1.0449 -0.9713 0.035 10.0505 0.59407 3.6820246406 12.4024807618 0.083903531
+C      1.04084594     -0.27893137      0.69885348
+C      2.46955760     -0.12764953      1.21370609
+N      3.04609688      1.19931485      0.95373701
+C      2.37581405      2.25684385      1.71188755
+C      4.47853644      1.22405793      1.21582557
+C      5.15396160      2.41046845      0.54879534
+O      6.19108041      2.91641126      0.93159876
+H      0.71353930     -1.32180021      0.81280248
+H      0.98332107     -0.01106943     -0.36570168
+H      0.32754759      0.34716168      1.25236258
+H      3.11182167     -0.86179128      0.70166979
+H      2.50431173     -0.37554495      2.29973820
+H      1.31657239      2.31556988      1.43281958
+H      2.83203870      3.22947357      1.47853568
+H      2.44454764      2.10236396      2.81183084
+H      4.93801779      0.32928756      0.75723660
+H      4.75334652      1.20956676      2.29327552
+H      4.62402268      2.77250701     -0.37150340 
+
+18
+-1773.2281033446739 11.419302 12.43159 -8.958 -7.0627 -10.031 0.7628 -0.1765 0.479 9.70435 0.14662 4.3524169426 5.8237588046 0.191609255
+C      1.59228212     -0.16024768      1.03458790
+C      2.16762576      0.28654257     -0.31081749
+N      2.94005083      1.52864623     -0.21896967
+C      2.24766637      2.81497073     -0.24364611
+C      1.74673866      3.22256690     -1.63121057
+C      4.30015798      1.46259226     -0.07870885
+O      4.96699390      0.43158151     -0.04416991
+H      1.02350209     -1.09295141      0.91100382
+H      0.91230883      0.59196148      1.46020869
+H      2.40163823     -0.34488620      1.75364272
+H      1.36520275      0.42934487     -1.05064845
+H      2.85455482     -0.47790138     -0.69886448
+H      2.95162517      3.57125140      0.13644363
+H      1.40841696      2.78267991      0.47121610
+H      2.58334801      3.30593900     -2.33873467
+H      1.23864176      4.19609830     -1.57901962
+H      1.02902447      2.49526272     -2.03564828
+H      4.75608131      2.47755879      0.00272524 
+
+16
+-1628.756921256026 13.041061 13.04861 -8.2392 -6.4164 -8.991 0.7162 -0.8781 -0.568 8.30977 1.22244 3.544511768 4.4975549542 0.575527039
+C      1.29598866     -0.24093230     -0.76325419
+C      2.55855050     -0.04363207      0.06930453
+N      3.11838911      1.29391940     -0.09807808
+C      4.44672441      1.56791916     -0.11393492
+C      5.03644357      2.79914100     -0.06162611
+C      6.47462637      2.90815477     -0.13323851
+O      7.12166070      3.95533944     -0.09077207
+H      0.88625897     -1.24672597     -0.59838050
+H      1.50546065     -0.11919755     -1.83454571
+H      0.51623965      0.48197253     -0.48061653
+H      3.33437319     -0.76070306     -0.23690600
+H      2.34258816     -0.24088991      1.13546881
+H      2.48243368      2.07550300      0.04850283
+H      5.08752351      0.68301134     -0.20254051
+H      4.45378954      3.71874288      0.03625407
+H      7.00382932      1.91926734     -0.23160713 
+
+20
+-1888.1546990926015 11.774859 13.00392 -8.9932 -6.927 -10.074 0.7938 -0.1481 2.975 9.28199 -2.67526 7.8683871334 10.8911286176 0.121716581
+C      3.60373189      1.71636387     -3.64599346
+C      4.73469385      1.72029640     -2.62304433
+N      4.19563203      1.86321358     -1.26355921
+C      5.17349105      1.96781846     -0.15683032
+C      6.33274749      0.96548779     -0.17004375
+C      5.67200728      3.42326554     -0.11039348
+O      4.58007615      4.32951425     -0.17720064
+H      4.00225825      1.62232577     -4.66582045
+H      3.01680570      2.64320399     -3.58471854
+H      2.91980496      0.86999225     -3.47768944
+H      5.40168185      2.57548204     -2.81714684
+H      5.34789342      0.80553985     -2.74785074
+H      3.54383455      1.09907954     -1.07569161
+H      4.58021994      1.80888840      0.75952677
+H      6.99796953      1.11752561     -1.03249340
+H      5.96557512     -0.07109491     -0.19987547
+H      6.94022025      1.07811700      0.74038098
+H      6.38899340      3.60067077     -0.93978814
+H      6.21379187      3.60140186      0.83213494
+H      3.92339142      3.83836795     -0.72530288 
+
+18
+-1755.8380829609068 11.435779 12.57704 -8.7381 -6.6231 -10.065 0.9366 -0.9838 -0.027 9.41989 0.66137 3.639237072 8.2023930188 0.115216317
+C      1.52464076     -0.78621056      0.52108206
+C      3.00874491     -0.74472794      0.17618196
+N      3.49342891      0.64460413      0.14757553
+C      4.91091411      0.76992914     -0.15801636
+C      5.27366241      2.22203469     -0.52394453
+C      5.85741229      0.32595381      0.95689355
+O      5.51890502      0.13399183      2.11024723
+H      1.14923302     -1.81864912      0.49538605
+H      0.94243516     -0.18191269     -0.18867822
+H      1.34407413     -0.39337306      1.53355126
+H      3.16645571     -1.16683410     -0.83131130
+H      3.57102392     -1.38260205      0.88717538
+H      3.32983740      1.06195027      1.07078084
+H      5.13471821      0.13274662     -1.03508247
+H      5.03742684      2.89569944      0.31288627
+H      4.68635042      2.53396686     -1.39623600
+H      6.34279415      2.32916199     -0.75712818
+H      6.93366263      0.22044073      0.65116693 
+
+20
+-1888.3446548490692 11.981139 13.33676 -8.7662 -6.6451 -10.148 0.9252 -0.0325 3.038 9.42428 -2.75176 8.1369656066 12.5724779664 0.098926246
+C      1.78012256      0.73598346     -1.04850166
+C      3.26997411      1.05208928     -0.98612204
+N      3.51845458      2.26981774     -0.20836128
+C      4.94199129      2.55747492     -0.02073612
+C      5.15071547      3.96924551      0.55336678
+C      4.84188273      5.07268070     -0.45477684
+O      4.38612481      4.13997072      1.76448144
+H      1.59660449     -0.16297030     -1.65337230
+H      1.22248960      1.57464888     -1.48914379
+H      1.37233006      0.54713385     -0.04281989
+H      3.65802621      1.22043319     -2.00520289
+H      3.82041600      0.17327899     -0.58267973
+H      3.10445121      2.14163388      0.72049364
+H      5.43999313      2.49725553     -1.00315534
+H      5.44210251      1.81911001      0.64097773
+H      6.20162664      4.05152301      0.87696923
+H      3.81463078      4.96618868     -0.83534969
+H      5.52624963      5.02092674     -1.31440151
+H      4.95269113      6.05941858      0.01506824
+H      3.46905306      4.31756662      1.48508603 
+
+18
+-1760.7315575874684 11.499909 12.829 -9.063 -6.932 -10.502 1.2255 -0.5794 0.283 9.62434 0.43219 3.7411659626 11.9116821808 0.21964136
+C      1.14409468     -0.66026151     -0.05738132
+C      2.61626271     -0.46099268      0.28137228
+N      3.07598289      0.87265987     -0.12347664
+C      4.46322612      1.13351859      0.24664181
+C      5.04539189      2.42246925     -0.34051185
+C      4.46378517      2.92778567     -1.64079297
+O      5.97352701      2.98419742      0.22394164
+H      0.81502713     -1.67078547      0.22115736
+H      0.96868082     -0.51864348     -1.13278572
+H      0.51004696      0.05526216      0.48885727
+H      3.22837172     -1.19942157     -0.26417129
+H      2.78147932     -0.65628035      1.36351351
+H      2.47326352      1.57064504      0.32307419
+H      5.08314488      0.31921151     -0.17401341
+H      4.66774028      1.14224196      1.33624779
+H      4.35973045      2.10727197     -2.36440280
+H      5.09477460      3.73079993     -2.03630228
+H      3.44407987      3.30760169     -1.47422755 
+
+18
+-1754.9187004291764 11.60872 13.06464 -8.8578 -6.7097 -10.285 1.2481 -0.8201 -0.036 10.12031 0.64881 3.6771271936 8.241473406 0.172517405
+C      1.06749269      0.29102722     -0.47804488
+C      2.55833810      0.12330243     -0.20970226
+N      3.23323440      1.42296117     -0.14866617
+C      4.64934111      1.31252845      0.20332781
+C      5.29696373      2.69050447      0.24820443
+C      6.78393217      2.69159181      0.48447466
+O      7.47642868      1.69793145      0.61228341
+H      0.57491482     -0.68708249     -0.56707855
+H      0.90077465      0.85332175     -1.40747231
+H      0.57517963      0.83593332      0.34290587
+H      3.02266601     -0.45247083     -1.02852221
+H      2.70786674     -0.47546306      0.71616950
+H      2.75876083      2.00200548      0.55214110
+H      5.14976111      0.70512920     -0.56792464
+H      4.82518244      0.78732158      1.16599742
+H      4.84511756      3.32874735      1.03195741
+H      5.10913457      3.23658077     -0.69505781
+H      7.24309075      3.71424993      0.53267721 
+
+15
+-1478.2146520805736 12.892005 12.27793 -7.5559 -5.7496 -8.451 0.788 -0.7574 -0.222 7.79464 0.8501 4.4535523228 4.4535523228 0.506497922
+C      0.99371800      0.00364061     -0.04721082
+C      2.49069445     -0.06815250      0.05227929
+N      2.99123769     -1.36338836      0.12264890
+C      3.25360258      1.06243835      0.13657945
+C      4.68562889      1.09818556      0.23309745
+N      5.31480183      2.22939773      0.31439916
+O      6.71728696      2.00343105      0.38911990
+H      0.64891022      1.04340669     -0.04887006
+H      0.52117874     -0.52053815      0.79835351
+H      0.63576859     -0.47760176     -0.97273779
+H      2.42472455     -2.08005704     -0.32228487
+H      3.98513273     -1.48771312     -0.04687596
+H      2.74187382      2.02485097      0.13813129
+H      5.27551239      0.16869944      0.24157347
+H      7.05878855      2.91313054      0.45145707 
+
+15
+-1537.9139736094578 11.651698 11.67079 -7.9341 -6.1051 -8.717 1.1245 -0.4048 -0.053 8.06253 0.75087 4.0807016236 4.3227346942 0.257919507
+C      0.93488005     -0.05200699      0.07377071
+C      2.43457465     -0.10107556     -0.02230955
+N      2.98429564     -1.30556637     -0.31357299
+C      3.20832848      1.01896669      0.19138266
+C      4.65561714      0.98884274      0.07827202
+N      5.31534992      2.19400174      0.27796956
+O      5.31786750     -0.03176267     -0.22339364
+H      0.58702927      0.95627009      0.32435556
+H      0.57250836     -0.74775753      0.84589581
+H      0.47597390     -0.34818567     -0.88232143
+H      2.40263423     -2.08782096     -0.58446371
+H      4.00789557     -1.30548859     -0.43806073
+H      2.70646986      1.95506402      0.43383489
+H      4.85250974      2.93088731      0.80019204
+H      6.32120569      2.11635175      0.39974880 
+
+17
+-1609.1308684199437 11.270541 11.99168 -9.2846 -7.1689 -10.27 0.8168 -0.1914 0.711 9.64835 -0.0155 5.5916570126 6.4661054734 0.187235497
+C      0.95206554     -0.12088209     -0.13333471
+C      2.47906868      0.04197822     -0.02199660
+N      3.25603334     -0.76370579     -0.98654067
+C      2.88397362      1.49981366     -0.14841217
+C      2.78416706      2.21456508     -1.46443058
+N      3.29817709      2.04719123      0.94078753
+O      3.63987225      3.41739184      0.73287233
+H      0.43126940      0.46458172      0.63882419
+H      0.67335303     -1.17790146     -0.01020408
+H      0.58603412      0.21057015     -1.11775956
+H      2.79559130     -0.27062454      0.98470025
+H      2.87044522     -0.64791916     -1.92879253
+H      3.14241364     -1.75468221     -0.76030215
+H      2.29324502      1.60187775     -2.23023051
+H      3.78805013      2.48507612     -1.82379203
+H      2.22804956      3.15582341     -1.34932152
+H      3.93175100      3.67580609      1.62442279 
+
+17
+-1606.844134121905 11.470601 12.18437 -9.3296 -7.165 -10.558 1.5804 -0.2148 0.476 10.10619 0.13022 5.5170174406 6.589793907 0.184826605
+C      0.73898864     -0.50054937     -0.28606077
+C      2.20909189     -0.12834301     -0.05725048
+N      3.17856040     -1.02065579     -0.71859589
+C      2.51189333      1.31735790     -0.50760277
+C      1.78370317      2.35582773      0.28109684
+N      0.97538862      3.16199525     -0.30328902
+O      0.39942537      4.06781003      0.62812584
+H      0.05675302      0.17844839      0.24743749
+H      0.53900955     -1.52491312      0.06121433
+H      0.48959386     -0.44834374     -1.35813428
+H      2.42203920     -0.19225121      1.02534983
+H      2.99484180     -1.02788869     -1.72777889
+H      3.02288936     -1.98244477     -0.40416402
+H      2.26297973      1.43976516     -1.57428200
+H      3.59808503      1.47209138     -0.39811529
+H      1.94905695      2.42286804      1.36729394
+H     -0.16897991      4.60897584      0.05125516 
+
+17
+-1660.6475601560362 10.940166 11.86885 -9.3173 -7.0941 -10.713 0.693 -0.2801 0.511 9.70667 0.13526 4.3363731542 6.8108857422 0.121233375
+C      0.64144715     -0.22334646     -0.13863061
+C      2.17385741     -0.26070447     -0.07147662
+N      2.81159847     -1.12407308     -1.08406668
+C      2.78189520      1.14249850     -0.19028881
+C      2.47439752      2.03909869      1.00684555
+N      2.41179107      3.38330153      0.72443783
+O      2.30187399      1.60694123      2.14458822
+H      0.21918010      0.39139493      0.66982585
+H      0.22478718     -1.23677432     -0.04173957
+H      0.30350983      0.18997730     -1.10351952
+H      2.47007304     -0.64943663      0.91604260
+H      2.48053040     -0.85684574     -2.01747145
+H      2.49699245     -2.08881165     -0.94919517
+H      2.45496471      1.62356168     -1.12891120
+H      3.87756468      1.03534141     -0.24982082
+H      2.68830306      3.74614030     -0.18098518
+H      2.36711373      4.02569678      1.51012556 
+
+17
+-1607.8425460140757 11.46566 12.19052 -8.4167 -6.4643 -9.735 0.7228 -0.22 0.645 9.09739 0.03213 4.529952496 5.827094028 0.174351246
+C      2.08598914      0.09436471      0.79444938
+C      3.45340968     -0.13131354      0.15672672
+N      4.18041687      1.12567194      0.03794437
+C      5.39007426      1.13834790     -0.40951267
+C      6.21656375     -0.01986001     -0.89303461
+N      6.04210630      2.36902514     -0.38474305
+O      5.17361743      3.44748376     -0.09224463
+H      1.53204286     -0.85180394      0.87471528
+H      1.48998170      0.79524361      0.19303205
+H      2.19474561      0.52040729      1.80166861
+H      3.32092003     -0.59787962     -0.83913995
+H      4.02659203     -0.85775948      0.76473421
+H      5.72707576     -0.51149739     -1.74618787
+H      6.32104154     -0.77149184     -0.09676862
+H      7.22389692      0.29624124     -1.19308347
+H      6.56101184      2.59145933     -1.23864474
+H      4.33097428      2.92883089      0.09395900 
+
+17
+-1602.260615071049 11.491852 12.03833 -7.7327 -5.8318 -9.212 0.8683 -0.0437 0.76 8.40073 -0.15176 5.435732219 5.435732219 0.168988575
+C      2.40330891      0.06131004      1.71483053
+C      2.48549472      0.25514134      0.19695370
+N      2.99613528      1.56064363     -0.22459165
+C      2.11158405      2.70653520     -0.08033215
+C      4.35391355      1.77870854     -0.22006428
+N      5.20803826      0.85086554      0.06907592
+O      6.53520038      1.35312721     -0.17602531
+H      2.03097766     -0.94744113      1.94405815
+H      1.71789359      0.78332581      2.18171378
+H      3.39611919      0.17165030      2.17066006
+H      1.49004298      0.13291545     -0.25984340
+H      3.15382139     -0.50163252     -0.23818911
+H      1.14673319      2.48497355     -0.55995690
+H      2.55275757      3.57619921     -0.58524838
+H      1.92093022      2.98223471      0.97372480
+H      4.67606858      2.78409920     -0.52033096
+H      7.07754050      0.60798392      0.13425519 
+
+17
+-1661.369903313304 10.920802 11.77416 -8.7445 -6.8427 -9.971 0.7248 -0.2458 0.739 9.58895 -0.12111 4.7298427252 12.4318654438 0.148791919
+C      2.54277881     -0.37261955      1.60843779
+C      2.70772521      0.07572015      0.15573769
+N      3.17147702      1.45838898      0.02319924
+C      2.20628943      2.53310351      0.19540066
+C      4.49977558      1.68111197     -0.28513771
+N      4.85315600      3.02652031     -0.46805109
+O      5.34067235      0.77969171     -0.34776218
+H      2.17523334     -1.40844568      1.64641919
+H      1.82308338      0.25583383      2.15412108
+H      3.50728941     -0.32861074      2.13206139
+H      1.75443524     -0.02078467     -0.39110186
+H      3.45283249     -0.55359275     -0.34699608
+H      1.78813555      2.88983956     -0.76484805
+H      2.65747789      3.38146016      0.72824989
+H      1.36979336      2.17132532      0.80708807
+H      4.17387799      3.63750224     -0.91493090
+H      5.78295695      3.09759564     -0.87290712 
+
+17
+-1600.2343545795973 11.726008 12.70066 -8.9009 -6.8106 -10.409 1.5391 -0.2802 0.467 10.19902 0.12799 5.5111405042 12.0653132334 0.195248141
+C      1.16293000     -0.70872705      0.24468608
+C      2.64465979     -0.56613533      0.57083499
+N      3.24744337      0.53517199     -0.18584672
+C      4.65615060      0.75427090      0.15278639
+C      5.24008125      1.82812234     -0.71159604
+N      5.74707160      2.86763945     -0.15843444
+O      6.25538941      3.76657262     -1.12974219
+H      0.72553909     -1.55756720      0.78839452
+H      1.01537997     -0.86831180     -0.83247892
+H      0.60373031      0.19425274      0.53529470
+H      3.17827496     -1.49073620      0.29130171
+H      2.77686665     -0.44805276      1.66910247
+H      2.72792646      1.39713325      0.00658790
+H      5.19305100     -0.19022621     -0.05060272
+H      4.83654723      1.00837772      1.21722024
+H      5.20676599      1.71275477     -1.80360119
+H      6.59656232      4.48932076     -0.57263680 
+
+17
+-1656.0184816060041 11.050078 12.13827 -9.088 -7.0041 -10.487 0.7662 -0.2177 0.615 9.6374 0.02689 4.3627449764 12.5832895456 0.1720318
+C      1.77934448     -0.85751401      0.12116114
+C      3.14609313     -0.51963406      0.70370995
+N      3.71954418      0.66474975      0.04889661
+C      5.01303941      1.07206159      0.60177383
+C      5.78082216      2.05847408     -0.28869743
+N      5.32789965      2.10775765     -1.57393441
+O      6.72540085      2.71641775      0.14256008
+H      1.36579694     -1.75697353      0.59747477
+H      1.84917476     -1.03691682     -0.96092067
+H      1.06298419     -0.03763770      0.28546460
+H      3.84278973     -1.35803429      0.53691127
+H      3.06299332     -0.39191940      1.80354118
+H      3.05838165      1.44132850      0.15221649
+H      5.65066160      0.17600334      0.68424142
+H      4.96725545      1.51616364      1.61376128
+H      4.57709330      1.47415794     -1.84202877
+H      5.82522519      2.67316555     -2.25293133 
+
+20
+-1877.4534619474184 12.265915 13.75081 -8.5598 -6.4394 -9.962 0.9925 0.0942 3.335 9.21111 -3.08297 8.1243810276 12.1070221238 0.12210552
+C      0.68667181      2.36022594     -1.00781770
+C      1.98121843      1.67210162     -1.42541027
+N      3.09041144      2.05923223     -0.55280003
+C      4.33755999      1.37085174     -0.87416731
+C      5.42159535      1.71582880      0.12868715
+O      5.03404587      1.20958307      1.40752285
+C      5.96978755      1.55197873      2.41816347
+H     -0.13612985      2.08872218     -1.68392355
+H      0.80588747      3.45270078     -1.02069981
+H      0.39144258      2.06294565      0.01062850
+H      2.24448049      1.97070332     -2.45532429
+H      1.82748336      0.56951338     -1.45148427
+H      2.84985567      1.83335702      0.41736816
+H      4.67528623      1.69616604     -1.87326044
+H      4.22717008      0.26395444     -0.91480463
+H      5.54951886      2.81516991      0.18236304
+H      6.38605030      1.26617066     -0.18166817
+H      5.59841707      1.13217832      3.36161031
+H      6.06971518      2.64894391      2.52414191
+H      6.97012212      1.12886226      2.20432509 
+
+14
+-1460.409420230105 10.578252 10.89695 -8.8443 -6.9508 -9.382 0.6088 -1.0583 -0.528 8.80135 1.11727 4.1363961348 4.723990586 0.336855008
+C      0.97973962     -0.05201422      0.08517963
+C      2.47306638     -0.11436608     -0.06644460
+N      2.98543001     -1.40332965     -0.20689106
+C      3.23908787      1.01246528     -0.02747974
+C      4.70132812      1.10231571     -0.13637098
+O      5.42817883     -0.01263117      0.26533725
+O      5.29988881      2.08098931     -0.53991368
+H      0.64576290      0.96754618      0.30393965
+H      0.65036821     -0.70715088      0.90672890
+H      0.47806510     -0.39527019     -0.83339905
+H      2.29797750     -2.12035630     -0.42223490
+H      3.83403291     -1.49766358     -0.76317450
+H      2.73401308      1.97563021      0.01953681
+H      4.83631067     -0.60459462      0.77275628 
+
+16
+-1597.9257125078827 10.122257 11.06233 -9.5327 -7.4439 -10.969 0.4711 -0.5741 0.363 10.02838 0.26387 4.3182711982 7.6716585472 0.138372466
+C      1.80401253     -0.68064683      0.40491459
+C      1.93552599      0.15788060     -0.86735479
+N      0.81829048     -0.03844376     -1.82768715
+C      2.05430712      1.65887753     -0.55149813
+C      2.30703819      2.58700845     -1.74896484
+O      1.70320833      2.23288986     -2.90304525
+O      2.98655946      3.59123099     -1.65561595
+H      2.67200029     -0.53867811      1.06497953
+H      1.73274671     -1.75196376      0.16636813
+H      0.90254809     -0.39445939      0.96971562
+H      2.84899065     -0.14974473     -1.40444107
+H     -0.08034779      0.04368153     -1.34061738
+H      0.84989901     -0.97728609     -2.23201300
+H      2.86644795      1.83550143      0.16499803
+H      1.12476192      2.00250435     -0.06190615
+H      1.22079107      1.35558794     -2.73404219 
+
+16
+-1588.633273616272 10.207001 11.31237 -9.5805 -7.464 -10.787 0.6218 -0.3988 0.2 10.23501 0.4029 4.303182102 12.9588431396 0.243903436
+C      2.02939405     -1.57661764      0.28490122
+C      3.53053372     -1.33916299      0.37914259
+N      3.85705472     -0.48579261      1.53578011
+C      5.28758385     -0.20757457      1.72598131
+C      5.50234695      1.21115070      2.28251968
+O      4.38565213      1.96876560      2.21961140
+O      6.56690453      1.60901672      2.70649465
+H      1.79139348     -2.18805778     -0.59592095
+H      1.48580703     -0.62487903      0.20442458
+H      1.65339775     -2.11200915      1.17038900
+H      3.88757994     -0.81719595     -0.52306598
+H      4.06404917     -2.30921512      0.42204434
+H      3.47755517     -0.91754662      2.38330565
+H      5.79265122     -0.23696513      0.74799069
+H      5.81431362     -0.92238540      2.37829756
+H      3.70546266      1.33084898      1.84451414 
+
+13
+-1368.745662286023 11.433962 11.02529 -8.8044 -6.985 -9.315 -0.5586 -2.3409 -1.244 8.57639 1.81197 3.4113879998 5.5435132488 0.26187254
+C      0.71448005      0.25383586     -0.14274932
+C      2.03626320     -0.01136981     -0.00397529
+N      2.67185194     -1.22826809      0.17660610
+C      2.09056476     -2.48501445      0.23927001
+N      2.67277628     -3.61431895      0.40853526
+C      2.98503210      1.13030485     -0.04047536
+O      4.19482481      0.99342684      0.07854035
+H      0.40988523      1.29030049     -0.27845704
+H     -0.06868027     -0.50091536     -0.12760587
+H      3.68934833     -1.14161559      0.25996105
+H      0.99984730     -2.47146648      0.12571920
+H      3.69431191     -3.50432281      0.50424899
+H      2.51329436      2.12913350     -0.18503808 
+
+13
+-1377.276050814883 12.889505 11.94883 -8.7714 -6.8669 -8.914 0.1645 -1.4819 -0.684 8.41074 1.16008 4.1889661988 4.6299224078 0.721396573
+C      3.66659646     -2.02546186     -0.11857976
+C      4.52169316     -0.99060688     -0.05208671
+N      4.08920346      0.32770593     -0.18268892
+C      4.97408574      1.25559426     -0.10550252
+N      4.61751362      2.58563547     -0.22580131
+C      5.49655673      3.65225023     -0.15650341
+O      5.16029961      4.81861353     -0.26521976
+H      4.02220925     -3.04912899     -0.01432783
+H      2.60177331     -1.85415714     -0.27847103
+H      5.59720860     -1.16970292      0.10967569
+H      6.05329870      1.08912959      0.05676747
+H      3.62829471      2.79633208     -0.37753235
+H      6.54662667      3.32292671      0.01064044 
+
+13
+-1367.0952190354808 10.74355 10.71162 -9.269 -7.3319 -9.626 0.1942 -1.5796 -0.378 9.92463 0.9619 3.8471491954 5.8325618106 0.467681213
+C      2.47593253     -1.11530890      0.09207324
+C      2.17032494      0.18796909      0.10644959
+N      2.97291184      1.29814418     -0.26825232
+C      2.36816509      2.59752838     -0.16325015
+N      2.85872663      3.73648710     -0.43071858
+C      4.28530038      1.13311490     -0.71117240
+O      5.03018621      2.04011478     -1.05213832
+H      1.71894169     -1.82344070      0.42219783
+H      3.43093731     -1.52824826     -0.22652547
+H      1.18133555      0.50484785      0.44242640
+H      1.33632110      2.51466023      0.20746180
+H      3.82862205      3.64964658     -0.76614340
+H      4.60055467      0.07192477     -0.72407823 
+
+13
+-1367.8522203333152 11.551834 11.05547 -8.6923 -6.7942 -9.063 -0.4814 -2.3535 -1.407 8.38969 1.81109 3.2566286746 5.7006531052 0.352967118
+C      1.28552673      0.21724179     -0.89225270
+C      2.33123817     -0.16803436     -0.14195249
+N      3.59907381      0.39110775     -0.20284712
+C      4.69727199      0.03140389      0.54557408
+N      4.86336895     -0.86642599      1.46065829
+C      5.91132447      0.85753490      0.20952710
+O      5.90358629      1.74008405     -0.63238132
+H      0.32468762     -0.27837967     -0.77854232
+H      1.36175992      1.02197226     -1.62467383
+H      2.22900023     -0.97637065      0.58460645
+H      3.78363892      1.15471282     -0.85963876
+H      4.00761852     -1.40321465      1.65481745
+H      6.81090439      0.58341787      0.80344515 
+
+19
+-1765.5185289054718 11.257311 12.20553 -9.0346 -6.8364 -10.424 0.827 -0.173 2.767 9.87807 -2.44272 8.2058646268 13.288261543 0.07128225
+C      0.90242119     -0.07040380      0.17372416
+C      2.41744460      0.03379140     -0.05304231
+N      3.07835394     -0.81389127      0.96043204
+C      2.79708474     -0.53994362     -1.43534020
+N      2.11738960      0.15007184     -2.54402229
+C      2.87839941      1.50760775      0.03102961
+O      2.65144304      2.09080106      1.32561815
+H      0.34523061      0.54579271     -0.54723213
+H      0.63780965      0.26757068      1.18720200
+H      0.57822422     -1.11694099      0.08436283
+H      2.95521140     -0.35926408      1.87158342
+H      4.09084781     -0.80513108      0.79389846
+H      2.61472402     -1.63142350     -1.39357836
+H      3.88379372     -0.40451241     -1.57655193
+H      1.16324559     -0.20456003     -2.64372091
+H      2.58914691     -0.06619599     -3.42381163
+H      2.40482421      2.10094846     -0.76801346
+H      3.96973406      1.54574882     -0.12235939
+H      1.73361129      2.40969406      1.34988193 
+
+19
+-1768.8560653933605 11.254036 12.18123 -9.3232 -7.143 -10.61 0.7089 -0.2874 2.772 9.94198 -2.46592 8.3882976272 11.6147357108 0.075497334
+C      3.04392689     -0.99891365     -1.22825806
+C      2.69549988     -0.13858052     -0.00552744
+N      3.16368821     -0.68708395      1.28402120
+C      3.17765517      1.32887738     -0.14137360
+N      2.82206587      2.16017548      1.02325493
+C      4.69939063      1.47680602     -0.34247015
+O      5.06294648      2.84942228     -0.31392438
+H      2.69714600     -0.53181610     -2.16371784
+H      2.57097459     -1.98904421     -1.15203046
+H      4.13020727     -1.15471627     -1.31354424
+H      1.59494285     -0.08687055      0.07361766
+H      4.13829854     -0.99092633      1.20338983
+H      2.62574605     -1.52217673      1.52382756
+H      2.69166378      1.77137471     -1.02728034
+H      2.90418333      1.56345419      1.85627634
+H      1.84772483      2.46173280      0.96710792
+H      5.00930385      1.06932745     -1.31631265
+H      5.23938615      0.91421047      0.44902400
+H      4.45553963      3.21715752      0.37089972 
+
+17
+-1654.083220158677 11.126033 11.99533 -9.2461 -7.2609 -10.495 0.6801 -0.315 0.44 9.8426 0.12834 4.3534708236 9.2699000802 0.212101199
+C      0.91231608     -0.01788110      0.01787179
+C      2.44179057      0.06459523     -0.00468115
+N      3.08833543     -0.70572696     -1.08746861
+C      2.91089408      1.52168313     -0.10726562
+N      4.36140375      1.59333647     -0.11726496
+C      5.07575226      2.51933406      0.57962709
+O      4.59980092      3.42985357      1.25376529
+H      0.49043900      0.55143273      0.86013579
+H      0.57830699     -1.06084546      0.11386968
+H      0.48520392      0.39026699     -0.91211051
+H      2.83868374     -0.34142451      0.94143792
+H      2.62616198     -0.49614622     -1.97895348
+H      2.95884257     -1.70782872     -0.93032960
+H      2.55300181      2.11886516      0.74251336
+H      2.49515286      1.97766369     -1.02671494
+H      4.83976746      0.84429600     -0.61769112
+H      6.17411657      2.36058594      0.46865908 
+
+15
+-1510.0822278208348 11.229848 11.77308 -9.2828 -7.343 -9.968 -0.1025 -1.9683 -1.259 9.29947 1.65463 3.2855794056 4.7800570552 0.217663938
+C      2.59978837     -1.13357835     -0.23051402
+C      3.77874179     -0.27064167      0.20697309
+N      3.60587608      1.11114230     -0.21336394
+C      4.55042699      1.94551366      0.08074251
+N      5.71143848      1.73499510      0.77865834
+C      4.34311287      3.35657037     -0.37567903
+O      5.17513334      4.23717534     -0.22011323
+H      2.73247460     -2.17475049      0.09568626
+H      2.49911188     -1.12114898     -1.32448629
+H      1.66423474     -0.75003872      0.19908073
+H      4.71959589     -0.68771848     -0.21199406
+H      3.89219038     -0.31422636      1.30990310
+H      6.07266805      0.79535381      0.89278911
+H      6.38342482      2.49993175      0.74780859
+H      3.36283170      3.51879072     -0.87812118 
+
+17
+-1601.482156694163 11.906335 12.48829 -8.1185 -6.2328 -9.446 0.9786 -0.1866 0.63 8.76791 -0.01276 4.7235814322 5.5515723388 0.176559803
+C      2.00981686     -0.14008595      0.74464754
+C      3.08636391      0.06131335     -0.32344645
+N      3.54826700      1.44003762     -0.36334578
+C      4.78031383      1.69160845     -0.08841048
+N      5.19770838      2.99718547     -0.00614359
+C      6.52289780      3.39647688     -0.43973976
+O      4.21223357      3.91221536     -0.45642346
+H      1.63379375     -1.17331712      0.72434342
+H      1.16452897      0.54097833      0.57269839
+H      2.41078743      0.06385978      1.74784643
+H      2.66238093     -0.18450370     -1.31238352
+H      3.92449946     -0.64370068     -0.15005655
+H      5.56035342      0.94783389      0.14129206
+H      7.24251566      2.66388464     -0.05187722
+H      6.75774417      4.38010513     -0.01327250
+H      6.59932914      3.44907211     -1.53921924
+H      3.45131570      3.27773644     -0.61107929 
+
+15
+-1516.0249713847268 11.66488 12.29191 -9.4428 -7.4982 -10.166 0.876 -0.9014 -0.389 10.30208 0.86672 4.208146833 5.6021586268 0.438296896
+C      1.93805034     -0.85926777      0.48063615
+C      3.17454722     -0.27909676     -0.19681566
+N      3.34242593      1.13529531      0.15301205
+C      4.36290662      1.74065663     -0.30817840
+N      4.58839271      3.08343642     -0.02346459
+C      5.66017175      3.82021547     -0.48464696
+O      5.84456072      4.99820618     -0.22623259
+H      1.81071284     -1.91798377      0.21431771
+H      1.03631426     -0.31222154      0.17254434
+H      2.02251357     -0.78341216      1.57356834
+H      3.07947590     -0.38486080     -1.29268126
+H      4.06895005     -0.85502068      0.10342497
+H      5.14317079      1.29482708     -0.95182291
+H      3.90517518      3.55753326      0.57110418
+H      6.34315211      3.21553312     -1.12343535 
+
+15
+-1516.2444827143643 10.691824 11.05653 -9.6098 -7.7399 -10.366 1.0189 -0.8166 -0.397 10.24943 0.89643 4.1725256552 5.607452829 0.334369898
+C      2.22498653     -0.11317433      1.42699945
+C      2.11173262      0.59152011      0.07539577
+N      3.06228855      1.70102942     -0.07067603
+C      2.77720418      2.98661216      0.41527781
+N      1.73568740      3.41203963      1.02181748
+C      4.28297133      1.46475504     -0.69514851
+O      4.63600339      0.38678010     -1.14467902
+H      1.48445597     -0.92259474      1.48760784
+H      2.04813063      0.57641100      2.26363856
+H      3.22319528     -0.55483608      1.54561109
+H      1.10013900      0.99206076     -0.08923577
+H      2.33509175     -0.10771463     -0.74061707
+H      3.59594532      3.69185067      0.21823094
+H      1.03308082      2.67256051      1.15964760
+H      4.91006724      2.38149039     -0.74353014 
+
+17
+-1625.5108754328894 11.204119 11.93456 -9.4891 -7.4255 -10.615 0.7652 -0.1857 0.378 9.96827 0.18841 4.376891779 6.2102603624 0.213616814
+C      0.21731329      0.13805403      1.81255886
+C      0.81023911      1.13545678      0.82759508
+N      2.02201938      1.79858201      1.34882609
+C      2.70261772      2.59211255      0.32021485
+N      1.72201747      2.59607580      2.46325763
+C      2.29205553      2.36838572      3.68889469
+O      2.08407908      3.05413405      4.68170410
+H     -0.65940767     -0.35244281      1.36778446
+H     -0.10663299      0.63176058      2.73860094
+H      0.95352472     -0.63514618      2.07290747
+H      0.04800656      1.89059069      0.53280864
+H      1.11692824      0.61800296     -0.09416461
+H      2.99246832      1.92965961     -0.50653905
+H      3.60874648      3.03605365      0.75014731
+H      2.06557384      3.40464206     -0.08769215
+H      1.09901126      3.40825197      2.36157312
+H      2.96150966      1.47984651      3.65828256 
+
+17
+-1639.4637351510519 11.163373 12.13528 -8.6564 -6.725 -9.601 0.7689 -0.2848 0.998 8.77892 -0.37394 5.038357089 6.0368287456 0.165333268
+C      1.35894884     -0.07577449     -0.53982359
+C      2.81325566     -0.17455150     -0.09585549
+N      3.51437815      1.07745560     -0.32918321
+C      4.81488397      1.28640948      0.06187782
+N      5.67151260      0.43141923      0.51461862
+C      5.28531670      2.72163175     -0.14743459
+O      4.25380244      3.70261617      0.04875873
+H      0.84197879     -1.02891774     -0.36803458
+H      1.28786082      0.16312512     -1.61034383
+H      0.82263151      0.70156287      0.02466348
+H      3.31862412     -0.97909178     -0.65804685
+H      2.86561315     -0.45284366      0.97450847
+H      2.96046704      1.92569762     -0.44353620
+H      5.27318923     -0.51610774      0.55707445
+H      5.60907811      2.83971470     -1.19264112
+H      6.15640200      2.88922855      0.50199591
+H      4.13386686      3.81108582      1.00857195 
+
+17
+-1592.4009596313867 12.118091 12.68663 -8.8559 -6.8955 -9.829 1.5131 -0.046 0.817 9.27651 -0.2209 4.7471883666 6.1825494914 0.245682972
+C      2.81935421     -1.14721893      0.55528191
+C      2.42452866      0.19212540     -0.06726985
+N      3.27862616      1.26434483      0.42384308
+C      3.87328996      1.98672028     -0.44390795
+N      4.57329275      3.13357580     -0.06874941
+O      5.75610988      3.32083723     -0.86278006
+C      5.76314014      4.66202850     -1.36816564
+H      2.12981423     -1.94079651      0.23373546
+H      2.79257196     -1.08383684      1.65201707
+H      3.83794959     -1.43187749      0.25557229
+H      1.38478429      0.42930879      0.21867503
+H      2.44355152      0.11924759     -1.17485418
+H      3.84262140      1.83663294     -1.53838229
+H      4.84798988      3.09936925      0.92016892
+H      6.68145004      4.73707867     -1.96532603
+H      5.79229015      5.39979348     -0.54992383
+H      4.88410519      4.85526702     -2.00287453 
+
+17
+-1641.7382108218758 11.130934 12.27486 -8.7918 -6.8369 -9.744 0.8485 -0.0887 1.026 8.9777 -0.4702 5.218880705 6.1840993164 0.154851689
+C      1.71710662     -0.58720632     -0.99006383
+C      2.76424233     -0.38441923      0.09830717
+N      3.68796796      0.67934646     -0.27131747
+C      4.70622364      1.06272967      0.58363081
+N      5.19297872      0.45674854      1.60637194
+O      5.21184313      2.26014013      0.15814145
+C      6.32848539      2.75435456      0.91816018
+H      1.03738668     -1.40505327     -0.71704133
+H      2.19046267     -0.83705021     -1.94989049
+H      1.10756627      0.31849692     -1.12993272
+H      3.34022827     -1.31563348      0.22879279
+H      2.27010657     -0.17022584      1.06597608
+H      3.30075095      1.44316053     -0.82197905
+H      4.69237401     -0.41481467      1.79633984
+H      6.58920099      3.71212451      0.45423914
+H      7.17335191      2.05394199      0.86631769
+H      6.05200388      2.89275972      1.97221780 
+
+12
+-1335.241639009596 11.622152 11.48683 -8.8433 -6.966 -9.053 0.1767 -1.4432 -0.244 8.50241 0.77432 4.1042837608 5.2388672482 0.327220036
+C      0.59982138      0.34656743     -0.01815834
+C      1.93480274      0.18018747     -0.16430127
+N      2.50173242     -1.08632446     -0.40017137
+C      3.83829872     -1.38703457     -0.56593519
+O      4.24678966     -2.52145890     -0.76831763
+C      2.82810776      1.29156964     -0.08449684
+C      3.55631606      2.26142162     -0.01064605
+H      0.19254208      1.33703550      0.16286811
+H     -0.08774067     -0.49696825     -0.07800859
+H      1.86579386     -1.88210386     -0.45796469
+H      4.48899221     -0.49180043     -0.49504360
+H      4.19624379      3.11798881      0.05486546 
+
+14
+-1497.670947388951 12.658884 12.21682 -8.6408 -6.7406 -9.037 -0.0312 -1.6589 -0.54 8.45397 1.16749 4.038038041 5.8329337686 0.437769278
+C      0.85308122      0.74136230     -0.03817064
+C      2.17281184      0.49923465     -0.08162150
+N      3.16018749      1.47098577      0.05273906
+C      4.52288127      1.18548358      0.00311738
+O      4.94948331      0.04460452     -0.16427867
+C      5.38922238      2.38664673      0.17161940
+C      6.72361214      2.28053565      0.14820325
+H      0.14770548     -0.07836983     -0.15247049
+H      0.44584429      1.74339910      0.10937913
+H      2.58953606     -0.49790409     -0.22863464
+H      2.87313232      2.43702927      0.19424790
+H      4.90808493      3.35935405      0.31513383
+H      7.18518242      1.30171442      0.00377720
+H      7.36905486      3.15001387      0.26990879 
+
+12
+-1335.5351844777852 12.029328 11.90281 -8.88 -6.9613 -9.224 0.0135 -1.6745 -0.538 8.65236 1.16355 3.8875934286 6.1635548362 0.315624088
+C      0.96670713     -0.05489666      0.00772310
+C      2.30831072     -0.05843569      0.00776573
+N      3.09738601      1.09074101      0.00579386
+C      4.48426430      1.05831593      0.00570689
+O      5.14592238      0.02343222      0.00754047
+C      5.08979386      2.37945826      0.00352746
+C      5.65386947      3.45491273      0.00156892
+H      0.42383268     -0.99709415      0.00924556
+H      0.38301885      0.86718357      0.00611637
+H      2.90045586     -0.97387023      0.00923878
+H      2.64722346      2.00430222      0.00426320
+H      6.16346528      4.39761079     -0.00017033 
+
+18
+-1750.6482208238424 11.688023 12.44697 -9.5967 -7.4109 -9.701 0.9472 -0.2352 1.122 9.15019 -0.54575 6.6319615456 6.6319615456 0.441684463
+C      0.95244756      0.10799030     -0.02470803
+C      2.47600298     -0.10690479     -0.00820972
+N      2.79097872     -1.09211399      1.04504490
+C      2.93115315     -0.77787798     -1.33687493
+O      2.36318055     -2.06979475     -1.48589912
+C      3.17038902      1.23338364      0.11749457
+C      3.97150696      1.63058279      1.11189960
+H      0.67290905      0.83243806     -0.80197851
+H      0.60697298      0.50129131      0.94269250
+H      0.44102912     -0.84047525     -0.23522231
+H      2.32057240     -0.84907350      1.91968375
+H      3.79714292     -1.09410874      1.23621898
+H      4.03947339     -0.82296778     -1.33995013
+H      2.61577868     -0.17088098     -2.19945318
+H      2.40347593     -2.44481030     -0.57780250
+H      2.97622161      1.92615831     -0.71075500
+H      4.19532587      0.99132405      1.96973114
+H      4.42837912      2.62090958      1.10744800 
+
+16
+-1593.3575621453067 11.256865 12.15699 -9.4095 -7.2928 -9.845 0.8376 -0.1078 2.111 9.47744 -1.69808 4.3242721206 10.9738644754 0.227922698
+C      0.96875033     -0.01861759     -0.01872544
+C      2.50522459     -0.00872170      0.02373636
+N      2.96390886     -0.74683489      1.21771304
+C      3.06229967     -0.75177945     -1.21749896
+O      4.48608896     -0.76582744     -1.25836370
+C      3.01381934      1.37819887     -0.01361174
+C      3.49293009      2.49618320     -0.04538115
+H      0.59540634      0.50151070     -0.91123556
+H      0.55753761      0.48520514      0.86658411
+H      0.61515741     -1.05862542     -0.02151451
+H      2.78858957     -0.18607949      2.05547687
+H      3.98029880     -0.86242236      1.14817606
+H      2.63310593     -0.30075681     -2.12973521
+H      2.74661533     -1.80286234     -1.15008571
+H      4.77452414      0.16535621     -1.32342414
+H      3.89021302      3.49111338     -0.04957030 
+
+18
+-1751.4793916511467 11.670653 12.42413 -9.5878 -7.3626 -9.54 0.8044 -0.2261 1.321 9.01353 -0.75541 6.6576018504 6.6576018504 0.449932389
+C      0.89183012     -0.02215767     -0.07710447
+C      2.42211105     -0.01513066     -0.07960632
+N      3.05375220     -0.74136234     -1.19725133
+C      3.05700592      1.40798968     -0.05985226
+O      4.47050659      1.26520229     -0.06609671
+C      2.54570033      2.28882078     -1.17915739
+C      3.30730968      2.80124664     -2.15160202
+H      0.48923166      0.57967382      0.75287933
+H      0.51246359     -1.04760281      0.04061095
+H      0.48636789      0.37993624     -1.01738362
+H      2.78198377     -0.50306472      0.84165789
+H      2.64299268     -0.44501114     -2.08765551
+H      2.90016854     -1.74689940     -1.11027719
+H      2.77921023      1.88140704      0.90068946
+H      4.61030192      0.46720655     -0.62882390
+H      1.47529897      2.52063779     -1.15048599
+H      4.38150989      2.60925496     -2.17360605
+H      2.88336495      3.43911295     -2.92816487 
+
+16
+-1589.1405894278303 11.404563 12.43488 -9.2445 -7.0805 -9.911 0.8928 -0.0843 2.05 9.52269 -1.68189 4.3657082418 10.29269779 0.192233204
+C      0.94932862     -0.06548834      0.03986229
+C      2.47552813     -0.07305385     -0.08861865
+N      2.98915425     -0.69749025     -1.31528933
+C      3.04114053      1.37500305     -0.01992776
+O      2.50245173      2.10702886      1.09912004
+C      4.50221265      1.39276213      0.00457433
+C      5.70810161      1.44303863      0.13663350
+H      0.62352287      0.43133078      0.96353958
+H      0.56440255     -1.09537027      0.03820561
+H      0.49344950      0.46851503     -0.81007814
+H      2.91089852     -0.62530673      0.76195397
+H      2.45387116     -0.36373345     -2.12286504
+H      2.84595522     -1.70848905     -1.27747347
+H      2.68977439      1.91283278     -0.92099846
+H      3.14886516      2.03030515      1.82333232
+H      6.77523312      1.47248551      0.22121923 
+
+18
+-1745.432840106816 11.897912 12.77912 -8.7788 -6.7316 -9.471 0.903 -0.0595 1.206 9.00309 -0.72261 6.4098406266 6.4098406266 0.365316415
+C      0.13660876     -0.99665697      0.67318207
+C      1.56676367     -1.11417056      0.12345003
+N      1.75275987     -2.13541469     -0.92029210
+C      2.09329171      0.21975391     -0.39745448
+O      1.26246866      0.64172283     -1.49524200
+C      1.60222428      1.81667680     -2.09525349
+C      2.61681845      2.64225452     -1.79432759
+H      0.07416869     -0.25303338      1.48330973
+H     -0.19811995     -1.96267661      1.07825373
+H     -0.56152349     -0.69522035     -0.12075228
+H      2.24050364     -1.38333520      0.95715584
+H      1.18409263     -1.88351372     -1.73442392
+H      1.39451785     -3.03387790     -0.58814744
+H      3.13046905      0.10025771     -0.75312559
+H      2.06490954      0.98817441      0.39528924
+H      0.90368241      2.03059192     -2.90779073
+H      3.33064015      2.45568969     -0.99454575
+H      2.73990408      3.54886761     -2.38301528 
+
+16
+-1632.8737655158038 11.498886 12.11752 -9.3954 -7.3644 -9.765 1.2978 -0.3099 0.302 9.87271 0.29625 4.3212592608 6.0772109858 0.309452239
+C      0.86114837      0.02539991      0.15564546
+C      2.32256759      0.15664916     -0.27775625
+N      2.53852773     -0.41974213     -1.61384611
+C      3.08070915     -1.65714522     -1.81625824
+O      3.47224808     -2.41439250     -0.93398946
+C      2.88276090      1.55803357     -0.25796614
+C      2.22850941      2.66940297      0.09776945
+H      0.72669373      0.38346444      1.18577690
+H      0.55969713     -1.02911757      0.11773879
+H      0.19244625      0.60160327     -0.50101081
+H      2.94261299     -0.47324272      0.38375377
+H      2.22822620      0.10928884     -2.42576157
+H      3.13644937     -1.91075659     -2.90029060
+H      3.92959944      1.62787453     -0.57290957
+H      1.18629782      2.65401310      0.42182452
+H      2.72555583      3.64000695      0.08525986 
+
+14
+-1474.9942121230017 11.004995 11.89 -9.641 -7.5734 -10.013 0.8008 -0.182 0.261 9.94648 0.34027 4.3197466316 10.8185100174 0.295135537
+C      1.02956599     -0.03607340      0.60981391
+C      2.43607769     -0.00794582     -0.01617161
+N      2.43881848     -0.54157269     -1.38638696
+C      2.74331325     -1.84548052     -1.65517005
+O      3.00915894     -2.69429414     -0.81081327
+C      3.01597921      1.33470120     -0.00301498
+C      3.46234058      2.46304681      0.00669009
+H      1.07012206      0.32619071      1.64546305
+H      0.65215335     -1.06651194      0.60741919
+H      0.33971312      0.60427611      0.04386838
+H      3.08658079     -0.69078140      0.55644300
+H      2.25960604      0.09577178     -2.15788395
+H      2.72113213     -2.05888541     -2.74825870
+H      3.86892838      3.45383870      0.02388190 
+
+18
+-1782.9269373905897 11.37794 12.74472 -9.1253 -7.193 -10.457 0.7265 -0.2242 0.611 9.52365 0.07456 4.3483378032 12.4233972 0.182815673
+C      1.86835613     -0.09116245     -1.27963387
+C      2.42237969      0.24060981      0.10706950
+N      3.11458945      1.52409076      0.16653929
+C      4.45351784      1.64576886     -0.11605686
+O      5.16725987      0.67159337     -0.35872756
+C      4.98216955      3.08299697     -0.09321575
+C      6.48946454      3.15639237     -0.31555406
+H      1.35809881     -1.06533116     -1.26421910
+H      2.68420834     -0.14263326     -2.01347973
+H      1.14445578      0.66621959     -1.61505330
+H      3.15359243     -0.52141320      0.41044208
+H      1.61649393      0.25195053      0.85650859
+H      2.56442761      2.37049494      0.27978592
+H      4.70575797      3.54521947      0.86918438
+H      4.44923406      3.65606751     -0.87140648
+H      7.02822955      2.60388818      0.46535551
+H      6.83158581      4.20017572     -0.30550425
+H      6.76350864      2.70600199     -1.27829433 
+
+16
+-1638.2920669820344 11.683902 12.36903 -9.1909 -7.3324 -10.282 0.547 -1.148 -0.284 9.38367 0.81694 4.105114467 5.8136291484 0.418935443
+C      1.59095958     -0.64306057     -1.00695034
+C      2.92354387     -0.50673193     -0.26746806
+N      3.28015947      0.87629847      0.02066316
+C      4.15909476      1.59169192     -0.76056826
+O      4.75656381      1.09669379     -1.71984982
+C      4.33187497      3.01475528     -0.33044708
+C      5.14828358      3.83963015     -0.99588784
+H      1.37069782     -1.70213251     -1.20442527
+H      1.62995240     -0.11385192     -1.96871603
+H      0.75915694     -0.22978802     -0.41719998
+H      3.74227886     -0.90832271     -0.87980396
+H      2.90117723     -1.06760538      0.68002217
+H      2.77432989      1.36827318      0.75147241
+H      3.77153727      3.36555535      0.54266564
+H      5.69759039      3.46727683     -1.86332895
+H      5.28390917      4.87872806     -0.69616778 
+
+14
+-1476.7719010597834 11.185862 12.10382 -9.4923 -7.6364 -10.567 0.6967 -1.0789 -0.255 9.5966 0.79749 3.9216399842 6.9977822386 0.234695172
+C      0.88448147     -0.30815793      0.17457631
+C      2.37835721      0.00360682      0.07472253
+N      2.65357679      1.41425614     -0.17585605
+C      2.97456295      1.89314273     -1.42021307
+O      3.10989747      1.19167163     -2.42393967
+C      3.16035793      3.33955533     -1.46071804
+C      3.32289615      4.53860567     -1.56275405
+H      0.73371273     -1.38079544      0.36257241
+H      0.37182784     -0.04676519     -0.76090215
+H      0.41110970      0.24828912      0.99670503
+H      2.83072527     -0.54804361     -0.75997280
+H      2.90070515     -0.29227868      0.99759772
+H      2.51877800      2.09285964      0.56906926
+H      3.46982134      5.59498375     -1.66467742 
+
+11
+-1241.9193334649258 10.423278 10.36467 -9.6123 -7.6858 -9.846 -0.3112 -2.0286 -0.817 9.3306 1.27195 4.2196527338 5.1115584234 0.419692635
+C      0.65438063      0.42961465     -0.22155007
+C      1.92406990      0.10215346      0.10224215
+N      2.38917177     -1.21513352      0.20615573
+C      3.67175260     -1.62712155      0.53273964
+O      3.98938081     -2.80191750      0.60088431
+C      2.87912506      1.14334906      0.36141795
+N      3.63507152      2.01003415      0.56707821
+H      0.36034354      1.47333670     -0.28447885
+H     -0.09386243     -0.33592196     -0.42385246
+H      1.72242127     -1.96629809      0.02511944
+H      4.36272532     -0.77945540      0.72159395 
+
+11
+-1240.9764757177682 10.822064 10.68323 -9.5352 -7.5684 -9.661 -0.4724 -2.305 -1.298 9.13121 1.7751 3.9152051108 6.219447725 0.3410584
+C      1.09514253     -0.26402232      0.03297128
+C      2.43289246     -0.18551730      0.04006324
+N      3.14176965      1.01841906     -0.01002872
+C      4.51756654      1.07858529     -0.00349422
+O      5.27545899      0.11963306      0.04572218
+C      5.02288511      2.46069365     -0.06371805
+N      5.47617134      3.53532138     -0.11007360
+H      0.61126803     -1.23687409      0.07420978
+H      0.45617758      0.61926844     -0.01277156
+H      3.08302048     -1.05883992      0.08540183
+H      2.62623730      1.89673275     -0.05407216 
+
+19
+-1769.6851956825867 11.383203 12.41989 -9.0085 -6.8198 -10.467 0.7906 -0.2208 2.931 9.76683 -2.63312 8.4049737442 10.6281915074 0.094724766
+C      4.15184896     -1.29895110      0.95159998
+C      3.29037962     -0.62529311     -0.12753393
+N      1.84327236     -0.86618300      0.01962041
+C      3.48977651      0.89536195     -0.20108122
+O      3.11981928      1.47451414      1.05385279
+C      4.91180245      1.33614574     -0.56361508
+N      4.97088048      2.80638097     -0.46372164
+H      5.23004857     -1.19828957      0.75042013
+H      3.92869362     -2.37535917      0.99174280
+H      3.94252954     -0.86235620      1.93835491
+H      3.58350671     -1.02572134     -1.11592295
+H      1.52647856     -0.39611624      0.87360743
+H      1.67590526     -1.86524650      0.16300151
+H      2.79974014      1.26033442     -0.99171787
+H      3.54547761      2.35981665      1.03371917
+H      5.18643817      0.93611944     -1.55830517
+H      5.61964054      0.92911832      0.17406384
+H      4.55150435      3.23832283     -1.29096334
+H      5.93716728      3.13168176     -0.41778177 
+
+13
+-1384.2915784724014 9.855803 10.72605 -10.2405 -8.1633 -11.027 0.8243 -0.4442 -0.068 10.29702 0.64908 4.2979374942 11.5542677386 0.194342104
+C      0.92114538      0.06553716      0.39123015
+C      2.39795986     -0.06748944     -0.01534566
+N      2.57536017     -0.68690088     -1.32799704
+C      3.06015152     -1.96311488     -1.45711464
+O      3.36128937     -2.69346841     -0.52209522
+C      3.08036071      1.23459806      0.02054769
+N      3.59057319      2.28327613      0.03724310
+H      0.84075898      0.50752574      1.39265549
+H      0.46324646     -0.93100195      0.40346404
+H      0.37488731      0.70504451     -0.31455581
+H      2.91289653     -0.74511850      0.68672050
+H      2.36923201     -0.14695545     -2.16499338
+H      3.14316852     -2.26777208     -2.52370920 
+
+17
+-1657.7214750910318 11.008602 11.99252 -8.9702 -6.9688 -10.406 0.7031 -0.3129 0.683 9.45796 -0.00130999999999 4.3752055694 12.6206465274 0.184544749
+C      2.46856548     -0.74809664     -1.48679695
+C      2.66457893     -0.16045767     -0.08866307
+N      3.28809799      1.15325761     -0.10728274
+C      4.54043546      1.39596999      0.36761641
+O      5.28703522      0.55298012      0.87168321
+C      4.97198152      2.86781221      0.26039286
+N      4.10258229      3.67566692     -0.61079038
+H      1.99147910     -1.73682653     -1.42146063
+H      3.43456830     -0.86499295     -1.99745125
+H      1.82583077     -0.10573559     -2.10728231
+H      3.32602743     -0.80131234      0.51129104
+H      1.69711068     -0.09323619      0.43616738
+H      2.81031594      1.97164797     -0.49193338
+H      6.03690955      2.86121408     -0.02613469
+H      4.92652008      3.27136451      1.28310707
+H      4.44710581      3.65730895     -1.57296917
+H      4.10723544      4.65358554     -0.31868343 
+
+13
+-1383.4430326882461 10.036517 10.9115 -10.2746 -8.3509 -11.146 0.2556 -1.7012 -1.047 10.30151 1.42294 3.9863730748 11.940099772 0.478266408
+C      0.87331686     -0.59076512     -0.35429353
+C      2.21875246     -0.05245356      0.13174035
+N      2.23883027      1.40506324      0.24835986
+C      2.11278543      2.04498259      1.44485946
+O      2.01240765      1.51559491      2.54614818
+C      2.11610916      3.51751942      1.30994465
+N      2.10190584      4.68342713      1.26172722
+H      0.91290966     -1.68662044     -0.42513152
+H      0.61700864     -0.19723386     -1.34831836
+H      0.07091789     -0.31956205      0.34457449
+H      3.03008058     -0.34953474     -0.54933528
+H      2.45553862     -0.44418656      1.12928163
+H      2.27521695      1.97451904     -0.59423715 
+
+12
+-1314.0401669974674 10.334541 10.22271 -9.4276 -7.5404 -9.937 -0.7273 -2.5219 -1.461 9.37236 2.00022 3.3906823378 4.6440940076 0.300810291
+C      0.75024681      0.21188733     -0.04272236
+C      2.07756805     -0.04788494     -0.06149510
+N      2.72864874     -1.27559454     -0.11882971
+C      2.17196445     -2.53650536     -0.17121066
+O      2.83125294     -3.56200413     -0.22009560
+C      3.01788111      1.10266169     -0.01647765
+O      4.23222285      0.97034266     -0.02850686
+H      0.43194770      1.25246907      0.00439936
+H     -0.02681033     -0.54858684     -0.07194904
+H      3.75266796     -1.21373881     -0.12153167
+H      1.06122294     -2.52768119     -0.16602093
+H      2.52879678      2.10307505      0.03023023 
+
+12
+-1313.1361439601733 9.925902 10.0493 -9.5861 -7.6006 -9.926 0.1783 -1.7247 -0.886 10.62749 1.39376 3.9573479522 5.5885077682 0.290992485
+C      2.98077986     -1.13613406      0.13345270
+C      2.47420088      0.09905155      0.04645400
+N      3.18674649      1.32491344     -0.01747105
+C      2.44029753      2.52953800     -0.10512303
+O      1.22584056      2.55980244     -0.12785287
+C      4.59447428      1.40503710      0.00123590
+O      5.22270439      2.44452771     -0.05288629
+H      2.28788021     -1.97423122      0.17311781
+H      4.04221573     -1.37509626      0.16796862
+H      1.39925192      0.27875258      0.01560241
+H      3.10195922      3.41225262     -0.14881365
+H      5.07483892      0.41002610      0.07090546 
+
+12
+-1312.6300041547597 10.688269 10.41182 -9.1249 -7.165 -9.487 -0.8374 -2.7875 -1.908 10.7398 2.24313 2.9606244982 5.984122297 0.318252235
+C      1.26437320     -0.39906977      0.49991845
+C      2.48381574     -0.20753323     -0.02640576
+N      3.23285547      0.95422825      0.13763352
+C      4.47644934      1.14761140     -0.40651163
+O      5.10215418      0.34916823     -1.10136489
+C      5.05884367      2.51789604     -0.05917833
+O      4.47895351      3.34038305      0.62605449
+H      0.74091405     -1.33646276      0.32700174
+H      0.76453883      0.35872623      1.10522228
+H      2.99371567     -0.95655950     -0.63362824
+H      2.87084344      1.73555109      0.68974267
+H      6.06890289      2.68705098     -0.49834431 
+
+18
+-1700.8019824375826 10.50757 11.53865 -9.6056 -7.4055 -10.726 0.7334 -0.3439 2.484 10.0798 -2.17738 8.1737274556 10.6797696834 0.081313379
+C      0.97401527     -0.10540165      0.00299087
+C      2.50389808     -0.01490653     -0.05088639
+N      3.05487104     -0.82256516      1.06191629
+C      3.03290948     -0.67759562     -1.34519855
+O      2.79006712     -2.07682085     -1.34418130
+C      2.97001945      1.45475578     -0.00851496
+O      2.60007577      2.14205706      1.19283517
+H      0.52076705      0.49434326     -0.80002855
+H      0.58528741      0.25445384      0.96814481
+H      0.65198684     -1.14662909     -0.12597472
+H      2.62366975     -0.52777145      1.94162768
+H      4.05543399     -0.62252673      1.16488356
+H      4.11997544     -0.46617425     -1.43634017
+H      2.53573739     -0.25085460     -2.23038105
+H      2.91331883     -2.32964716     -0.40082275
+H      2.60030173      1.99308373     -0.90215819
+H      4.07120600      1.48767022     -0.03560395
+H      1.65194936      2.35177921      1.13677219 
+
+18
+-1700.6037871039284 10.677957 11.76693 -9.19 -6.9864 -10.581 0.8474 -0.235 2.703 9.8855 -2.41577 8.3579210572 10.8239282056 0.088543897
+C      1.06497038     -0.86448112      0.24045946
+C      2.44390916     -0.24605657     -0.03744637
+N      3.20078327     -0.91039138     -1.11290432
+C      2.37797814      1.24819692     -0.38885903
+O      1.61227407      1.39742541     -1.59214080
+C      1.79232908      2.13278718      0.70909845
+O      1.71461775      3.50076792      0.26583655
+H      0.57510090     -0.41988623      1.12083811
+H      1.17159023     -1.94136816      0.43698409
+H      0.40224529     -0.73323188     -0.62639843
+H      3.05776491     -0.32143250      0.87927255
+H      2.70420269     -0.76030205     -1.99676505
+H      3.20683130     -1.92068690     -0.95313110
+H      3.42441011      1.57143343     -0.57715763
+H      1.40742259      2.34992365     -1.65456485
+H      2.38310665      2.04443674      1.63840191
+H      0.75344245      1.84443460      0.92336954
+H      2.62195105      3.85481093      0.23933691 
+
+16
+-1579.7232444888919 10.14552 10.97146 -9.4901 -7.258 -10.737 1.6943 -0.2641 -0.177 10.7988 0.68608 4.3741392898 9.4031726316 0.130350976
+C      1.63230729     -1.80271735      1.29928509
+C      2.67648302     -1.04647739      0.46479230
+N      3.67170686     -1.89580027     -0.21027155
+C      2.03556323     -0.11883037     -0.56400121
+O      1.29234905     -0.90283771     -1.55407092
+C     -0.04422315     -0.69943071     -1.62454927
+O     -0.70607763      0.06572281     -0.95643977
+H      0.93792442     -1.11405743      1.80424828
+H      2.12871434     -2.41008880      2.06975999
+H      1.04005379     -2.48128541      0.66729310
+H      3.23759381     -0.37265776      1.13803702
+H      3.18993296     -2.51345358     -0.87117938
+H      4.11898513     -2.50931217      0.47558584
+H      2.81369079      0.40651932     -1.13294452
+H      1.34704597      0.59497398     -0.09503689
+H     -0.44975989     -1.35923717     -2.41684812 
+
+14
+-1453.6904127417356 9.770491 10.48529 -9.8194 -7.7289 -10.901 0.5221 -1.4645 -0.415 10.42665 1.06573 3.7019491908 6.2744851104 0.199957198
+C      0.80762641      0.29839768      0.07151233
+C      2.30531663      0.04215822     -0.18185570
+N      2.60605723     -0.32103478     -1.55213687
+C      2.35584214     -1.56731707     -2.04682955
+O      1.77475807     -2.45914650     -1.43520515
+C      3.11339957      1.26594694      0.19379928
+O      3.86438006      1.84927481     -0.56710579
+H      0.63370013      0.57557552      1.12090371
+H      0.24956942     -0.62036322     -0.14364748
+H      0.43748949      1.10466956     -0.57615912
+H      2.62366614     -0.77869901      0.49091224
+H      3.21482646      0.32190320     -2.06107758
+H      2.73153072     -1.68717251     -3.08838601
+H      2.95416752      1.62244716      1.24059571 
+
+14
+-1462.0028981806508 9.822663 10.40402 -10.1239 -8.0725 -11.238 0.7054 -1.2303 -0.934 11.18408 1.32638 4.0204072318 5.746875086 0.31005084
+C      0.92642569     -0.43172475      0.01777834
+C      2.31530792      0.19850916      0.08856132
+N      2.26039524      1.67080887      0.07365591
+C      2.29224967      2.36254089     -1.13772627
+O      2.37197573      1.83255654     -2.23097796
+C      2.16604678      2.38237103      1.27023004
+O      2.13035206      1.87054890      2.37438202
+H      1.01812973     -1.52641564      0.03188173
+H      0.41168640     -0.14481968     -0.90871179
+H      0.31392306     -0.13003195      0.87772739
+H      2.92554429     -0.09822752     -0.77373261
+H      2.82774093     -0.08356026      1.01689520
+H      2.24034651      3.46358286     -0.99187781
+H      2.13029599      3.48080154      1.10160449 
+
+16
+-1588.5636310957327 10.294082 11.35885 -9.2023 -7.1963 -10.556 0.7071 -0.373 0.501 9.66207 0.168 4.3924892178 6.2601399302 0.154954325
+C      3.06315087     -1.51239715     -0.67980785
+C      2.68381247     -0.25603742      0.10411993
+N      3.31924145      0.94792238     -0.41413167
+C      4.24424725      1.66384220      0.28333434
+O      4.65295717      1.39099193      1.41387006
+C      4.75544757      2.91497873     -0.44358905
+O      4.34725864      3.03257814     -1.81534259
+H      2.56186503     -2.39303260     -0.25313564
+H      4.14813798     -1.68180612     -0.64106987
+H      2.76312681     -1.43507868     -1.73553224
+H      3.00567914     -0.33893506      1.15142513
+H      1.59040887     -0.11628040      0.09982090
+H      3.06116987      1.32166079     -1.32667950
+H      5.84967616      2.94143932     -0.32912866
+H      4.34991586      3.78916954      0.08787242
+H      5.01920484      2.59403442     -2.36475569 
+
+14
+-1454.0818859024087 9.868739 10.67168 -9.6301 -7.5602 -10.953 -0.3399 -2.3893 -1.702 10.80686 2.01257 3.0041435842 7.6972616562 0.243078938
+C      1.12694844     -0.96555473     -0.17845799
+C      2.24016477      0.05084604      0.08021834
+N      1.74459293      1.41651437      0.19547479
+C      1.88612049      2.35293068     -0.77487969
+O      2.46493503      2.22191722     -1.85602256
+C      1.23445729      3.69453044     -0.41329411
+O      0.62555263      3.89613662      0.62057362
+H      1.55074609     -1.97675372     -0.25638043
+H      0.60418903     -0.73763383     -1.11713092
+H      0.38924497     -0.97041192      0.63693542
+H      2.96011904      0.05439874     -0.74941295
+H      2.78764624     -0.20073103      1.00186134
+H      1.20439425      1.70645814      1.01146827
+H      1.37197879      4.46967298     -1.20346312 
+
+13
+-1345.1751011810488 11.197862 10.83885 -8.7888 -6.8655 -9.069 0.4573 -1.3109 -0.179 9.68837 0.81998 3.9702053004 5.3556000672 0.367460772
+C      1.94484186     -1.10885213      0.38123097
+C      1.56931251      0.17106523      0.30169083
+N      2.36664891      1.23908983     -0.18741844
+C      1.81359630      2.52020255     -0.20541140
+O      2.35853226      3.54187674     -0.59316508
+N      3.63668783      0.87323640     -0.60221073
+C      4.45934721      1.74875970     -1.06437987
+H      1.24293031     -1.84017280      0.77566539
+H      2.93199296     -1.43521672      0.06212198
+H      0.58075558      0.50280776      0.62028432
+H      0.77355167      2.50042920      0.19140433
+H      5.42873286      1.33610226     -1.35757743
+H      4.25891974      2.81484199     -1.17457486 
+
+17
+-1594.9695512570727 11.562726 12.11985 -9.2391 -7.0281 -10.432 1.3706 -0.5351 0.331 10.37918 0.17965 5.3163832954 6.5894467462 0.427860398
+C      0.76171495     -0.65568002      0.07610912
+C      2.28176805     -0.43147249      0.01857333
+N      2.98577617     -1.19713066     -1.02456650
+C      2.64473376      1.04400180     -0.11849168
+O      2.10002853      1.52189088     -1.37058734
+N      2.43743246      2.87289614     -1.53264548
+C      2.00074824      3.33564589     -2.64519029
+H      0.30204562     -0.09488389      0.90505557
+H      0.53863780     -1.72186493      0.22763843
+H      0.28259054     -0.33349073     -0.85934303
+H      2.71411975     -0.74234276      0.98678481
+H      2.64643834     -0.89667098     -1.94316455
+H      2.74603361     -2.18803551     -0.94156128
+H      3.73826082      1.16526731     -0.13302793
+H      2.21743554      1.63343581      0.70847836
+H      2.21907578      4.38477683     -2.84431875
+H      1.43958004      2.73423730     -3.37029279 
+
+15
+-1492.550783712695 11.087674 11.15216 -9.0833 -7.2155 -9.662 0.7478 -0.9747 -0.192 9.00214 0.71511 4.2929284598 5.1728447032 0.473079099
+C      1.41510692      0.19710583      2.05537126
+C      1.38967171      0.47967812      0.55228378
+N      2.08233610      1.72021668      0.18505953
+C      1.35556405      2.88034902     -0.06593072
+O      0.13862710      2.95566560      0.00624163
+N      3.43436217      1.84867183      0.04255032
+C      4.20337104      0.83547070      0.23832215
+H      0.90738213     -0.75500069      2.26314755
+H      0.88800412      0.99155759      2.59978366
+H      2.43763844      0.13076412      2.45004526
+H      0.35598502      0.61516066      0.20789169
+H      1.83554688     -0.34353587     -0.02729459
+H      2.03534608      3.71314192     -0.33884866
+H      5.26992213      1.01026976      0.09038384
+H      3.87259612     -0.16769528      0.53181330 
+
+17
+-1662.045638956444 11.054783 12.29045 -9.1049 -7.0882 -10.523 0.7206 -0.2502 0.71 9.64004 -0.09156 4.6852573596 12.6774817098 0.250488388
+C      1.60200186     -0.50764810     -1.04714730
+C      2.51695652     -0.03123296      0.07512508
+N      3.56774540      0.84756573     -0.43699986
+C      4.73655689      1.01694226      0.30149627
+O      5.03303235      0.31733760      1.27046123
+N      5.54107298      2.05593597     -0.16139142
+C      6.89530525      2.18143168      0.36157322
+H      0.82416439     -1.17221148     -0.64598385
+H      2.16949552     -1.05822386     -1.81060794
+H      1.09189911      0.33437919     -1.54074426
+H      3.02601925     -0.87570553      0.55751142
+H      1.92691648      0.47298342      0.86277908
+H      3.23800939      1.67037792     -0.93842564
+H      5.42052063      2.30689550     -1.13970338
+H      6.86880207      1.96887271      1.43626656
+H      7.25177861      3.20806645      0.20657557
+H      7.60411328      1.47688349     -0.10635478 
+
+16
+-1594.5214615709835 10.228943 11.41089 -9.4011 -7.4172 -10.666 0.8819 -0.0652 0.455 10.21881 0.12577 4.9105399216 6.302766317 0.135940216
+C      1.92380293     -0.55469678     -1.30587640
+C      2.50024200     -0.06503660      0.02360316
+N      3.18227916      1.21958979     -0.07074501
+C      4.51819405      1.30018093     -0.35231877
+O      5.30341261      0.36292913     -0.38776641
+O      4.86582235      2.61473663     -0.56748153
+C      6.26693483      2.80961991     -0.84128015
+H      1.42336756     -1.52476637     -1.17171162
+H      2.72289724     -0.68094152     -2.04907648
+H      1.18453687      0.15411751     -1.70729958
+H      3.23896132     -0.78252283      0.40547787
+H      1.70601722      0.02667655      0.78036083
+H      2.63635439      2.06510928     -0.20726693
+H      6.39138090      3.89164812     -0.95588114
+H      6.55953928      2.28981635     -1.76385531
+H      6.88242730      2.43697990     -0.01183253 
+
+15
+-1469.2582711044304 11.008831 11.40941 -8.5117 -6.5276 -9.123 0.9488 -0.1939 0.578 8.65307 0.03648 4.8732449328 5.4355834358 0.210355576
+C      0.95818795     -0.04648682      0.37272500
+C      2.44029278     -0.08531999      0.12810863
+N      3.09195741     -1.11719588     -0.30855103
+N      2.37655369     -2.23187563     -0.66640200
+C      3.27467885      1.11669992      0.38019080
+C      2.78559570      2.49649718      0.17488294
+O      2.90888062      1.96485459      1.50425688
+H      0.66555959      0.88791704      0.86571130
+H      0.64337736     -0.86922986      1.03774432
+H      0.39355892     -0.15214525     -0.56809516
+H      2.97528428     -3.05384339     -0.63213469
+H      1.48787445     -2.38159676     -0.17600890
+H      4.34899816      0.93215764      0.27654726
+H      1.75924739      2.66246772     -0.17144254
+H      3.50542285      3.27905950     -0.08916280 
+
+17
+-1613.9068265388244 11.84668 12.24594 -8.4994 -6.5043 -9.156 1.2998 -0.3302 0.611 8.6061 0.00988000000001 4.7982086056 5.3832613438 0.280124086
+C      3.41372268      1.65227611      3.27340243
+C      3.88577985      1.32569140      1.89547761
+N      4.51881360      2.18858921      1.18115295
+N      4.85894270      1.87201903     -0.11283942
+C      6.02026095      2.60913645     -0.62782779
+C      5.78915654      4.11866487     -0.60778675
+O      5.80375191      4.67024014      0.70558606
+H      2.31633415      1.57833713      3.34390219
+H      3.71502759      2.66970809      3.55241998
+H      3.82685135      0.94532427      4.01035565
+H      3.66493162      0.32003160      1.49223568
+H      4.90984456      0.86007801     -0.28897590
+H      6.15890767      2.27860223     -1.66884996
+H      6.94381989      2.37748985     -0.06281397
+H      4.83616167      4.33818695     -1.12869052
+H      6.60119503      4.60930523     -1.16678115
+H      5.23634824      4.06633942      1.23468291 
+
+15
+-1480.305731798067 12.008452 12.19587 -9.2049 -7.286 -9.482 0.4456 -1.1989 0.159 9.09367 0.56421 4.426114221 5.5355781448 0.683905122
+C      1.57705816      2.64068327     -1.24874622
+C      2.87404949      1.96876817     -0.96463945
+N      3.92589454      2.65267633     -0.67744187
+N      5.04474139      1.82506283     -0.44404544
+C      6.10627000      2.48392823     -0.14739909
+C      7.36282407      1.72334147      0.12448133
+O      7.20637299      0.32419144      0.01554411
+H      1.22302195      2.37632272     -2.25763542
+H      1.67530791      3.72971847     -1.17137892
+H      0.80368053      2.29213206     -0.54646168
+H      2.92534242      0.86837763     -1.00330193
+H      6.11109926      3.58221074     -0.08890709
+H      7.72076990      1.99358860      1.13875591
+H      8.14454786      2.07996877     -0.57700674
+H      6.26257953      0.19491926     -0.22624751 
+
+13
+-1345.8986133973035 12.318613 11.79626 -9.5446 -7.6073 -10.093 -0.9488 -2.6947 -1.498 9.66398 1.9416 3.184456424 4.8314740494 0.785558119
+C      0.72581242      0.15629333     -0.02169906
+C      2.18862680     -0.04328347     -0.17292322
+N      3.02927480      0.84063427      0.25340463
+N      4.35028646      0.43795024      0.00282673
+C      5.21632744      1.29918084      0.42393910
+C      6.64555459      0.98690806      0.21669144
+O      7.54830934      1.72917212      0.57516144
+H      0.28957227     -0.67087333      0.56057035
+H      0.23615235      0.12823088     -1.00804239
+H      0.50590782      1.10961524      0.47179990
+H      2.56031485     -0.96114131     -0.65660723
+H      4.93642744      2.23839756      0.92143291
+H      6.83577342      0.01347557     -0.29591459 
+
+15
+-1497.9079953061023 11.526898 11.67118 -8.7997 -6.9645 -9.434 1.0504 -0.6451 -0.013 8.82239 0.58878 4.3169321494 5.1267963028 0.47312701
+C      1.44080524      0.81862400      0.44551015
+C      2.89740063      0.54256515      0.26045571
+N      3.71921005      1.52369091      0.10997809
+N      5.05399430      1.26363860     -0.05915940
+C      5.62694455     -0.07294991     -0.08186094
+C      5.86112488      2.38325169     -0.21299002
+O      7.07235138      2.34622291     -0.37446553
+H      1.08367156      0.40673232      1.40264038
+H      0.84785204      0.33536839     -0.34706627
+H      1.24849315      1.89799391      0.42739156
+H      3.22052400     -0.50847961      0.25958467
+H      5.20272577     -0.66509535     -0.90693417
+H      5.44204215     -0.59270733      0.87050920
+H      6.70495783      0.05175599     -0.23211064
+H      5.24993249      3.30756833     -0.16845277 
+
+15
+-1506.4722888092533 11.680762 11.89891 -8.8522 -6.9774 -9.605 0.918 -0.7576 0.014 9.04435 0.56398 4.3690434652 5.2993104232 0.48466679
+C      1.29476404      2.88232838      1.41240571
+C      2.53950851      2.15266324      1.03391987
+N      3.59596778      2.79135650      0.66976395
+N      4.69284226      2.05618505      0.34001768
+C      5.89223013      2.62112367     -0.07445871
+C      5.93224938      4.12876509     -0.14775255
+O      6.83531271      1.88516760     -0.35420209
+H      0.99428248      2.63642495      2.44326574
+H      0.45577913      2.59078066      0.76073487
+H      1.44717308      3.96544395      1.33403568
+H      2.52781911      1.04808571      1.07490447
+H      4.67751474      1.02897524      0.38276158
+H      5.17365539      4.50367067     -0.84816232
+H      6.93237823      4.42530018     -0.47788757
+H      5.70656303      4.57247911      0.83127367 
+
+15
+-1478.5970086730204 11.529798 11.82262 -8.4238 -6.4325 -9.272 0.735 -1.2036 0.005 8.75592 0.61718 3.6072238868 5.3185902462 0.305459073
+C      3.10589605      0.23194963     -2.81527185
+C      3.62793209      0.99085616     -1.64008251
+N      4.86434899      1.34460941     -1.57672621
+N      5.31282548      1.95599275     -0.43255819
+C      6.49911259      2.78467621     -0.60216757
+C      6.19147624      4.13625383     -1.22600969
+O      6.63286737      5.19744768     -0.82410794
+H      2.28139786      0.77519635     -3.30415752
+H      2.70152725     -0.74577141     -2.50719431
+H      3.90693488      0.06747667     -3.54634517
+H      2.92325055      1.23175258     -0.82206979
+H      4.58237972      2.38122869      0.15401041
+H      7.18815180      2.23587986     -1.26403195
+H      6.99320561      2.93578526      0.36806273
+H      5.47737353      4.08993634     -2.08896045 
+
+17
+-1644.6144525779443 11.071328 11.81868 -8.8956 -6.9013 -9.696 0.5982 -0.3821 0.803 8.85448 -0.13923 4.8261674486 12.549924913 0.241637819
+C      1.16089007     -0.45514037     -0.36392808
+C      2.61511834     -0.49151596      0.05535149
+N      3.27329533     -1.56129288      0.37941417
+N      3.23268600      0.73059119      0.06933543
+C      4.68422946      0.92655497      0.17447745
+C      5.31167558      0.52498867      1.52051711
+O      5.61239871     -0.85158764      1.62825779
+H      1.08021730     -0.34067572     -1.45540565
+H      0.63005927      0.38649906      0.10403036
+H      0.65303281     -1.38238121     -0.07508384
+H      2.67845110     -2.39073114      0.32607506
+H      2.68874329      1.51515934     -0.26978156
+H      4.85740919      1.99931672      0.00497173
+H      5.19824101      0.36518765     -0.62585119
+H      4.64397567      0.87628054      2.33520373
+H      6.26548554      1.07013278      1.62135268
+H      4.82304131     -1.32492599      1.23922332 
+
+15
+-1529.324080310711 10.699271 11.35623 -9.4055 -7.5529 -10.441 1.1225 -0.5969 -0.057 9.85779 0.5403 4.265490358 8.8764181106 0.283277195
+C      1.06299514     -0.20010722     -0.27213676
+C      2.55179024     -0.47561473     -0.30320849
+N      3.12068837     -1.56183834     -0.68687239
+N      3.29762925      0.62051738      0.14914179
+C      4.68059806      0.83852798      0.29900192
+C      5.63324982     -0.26271281     -0.07360694
+O      5.03969046      1.92943403      0.73106169
+H      0.81062735      0.66032656     -0.90965902
+H      0.72905617      0.03100877      0.75053734
+H      0.50426336     -1.07213790     -0.62969029
+H      2.40583563     -2.23628314     -0.97807052
+H      2.76951211      1.44359590      0.43670947
+H      5.42305622     -1.17103957      0.50592607
+H      6.65000520      0.09720915      0.11284018
+H      5.50234263     -0.55103605     -1.12466403 
+
+15
+-1511.2324067123368 10.725901 11.48785 -8.7866 -6.8615 -9.75 0.9335 -1.1165 -0.248 10.27841 0.87307 3.6833884866 8.7260354912 0.195930234
+C      1.33673369     -0.76555611     -0.03941298
+C      2.84842679     -0.72504227      0.02218989
+N      3.64974271     -1.73417306      0.12447107
+N      3.37430320      0.54973432      0.00352342
+C      4.79291784      0.75994911     -0.09205583
+C      5.11064637      2.12970843     -0.61874408
+O      4.26713007      2.94005771     -0.96476508
+H      0.95710675     -0.19354092     -0.89961097
+H      0.90264122     -0.32511567      0.87009258
+H      0.98319687     -1.79885936     -0.12897733
+H      3.11103371     -2.60505598      0.15662204
+H      2.80727302      1.32364111     -0.33915135
+H      5.27013945      0.00397649     -0.74733955
+H      5.30589980      0.63831463      0.88224518
+H      6.20065851      2.36847159     -0.67446700 
+
+15
+-1477.492546271575 11.251755 11.54624 -8.5406 -6.5788 -9.231 0.7209 -1.2186 -0.055 8.63056 0.76724 3.6784910396 5.372189394 0.324574648
+C      0.87064163      0.13862591      0.64567554
+C      2.27635516      0.18720041      0.02975856
+N      2.26523274     -0.05552133     -1.39921985
+N      2.11128797     -1.35353642     -1.77110661
+C      2.46321363     -1.69913293     -2.96014829
+C      2.95517199      1.50771288      0.31834251
+O      3.51711738      2.19243931     -0.51798765
+H      0.91152822      0.28663061      1.73417968
+H      0.42892592     -0.84464464      0.44344589
+H      0.22779874      0.90919962      0.19870718
+H      2.90359510     -0.56700256      0.55643697
+H      2.94412080      0.51792167     -1.91821834
+H      2.28946275     -2.73444455     -3.25282620
+H      2.91619191     -1.00491760     -3.68550504
+H      2.91636607      1.81798963      1.39218565 
+
+17
+-1636.0702642538236 10.91051 11.67259 -8.6787 -6.7307 -9.935 0.7783 -0.1764 0.46 9.54271 0.21354 4.3026985566 5.7107703628 0.13150354
+C      3.23640572     -0.77645018     -1.28287315
+C      3.29011992     -0.18039370      0.12380782
+N      3.38565398      1.28099332      0.13621782
+N      2.20663730      1.94023261     -0.32632065
+C      4.55766716      2.00454663      0.10697129
+C      5.84371882      1.26340184      0.42980472
+O      4.54971933      3.21271881     -0.16525750
+H      3.08847100     -1.86452054     -1.23077259
+H      4.16718956     -0.58226273     -1.83498248
+H      2.40156963     -0.33704731     -1.84407667
+H      4.13975553     -0.57969977      0.69186425
+H      2.38076715     -0.45155488      0.68253282
+H      2.56290213      2.79902429     -0.77236421
+H      1.70897024      2.27409317      0.50946855
+H      5.80505299      0.78431816      1.41796937
+H      6.65403948      1.99901502      0.42114160
+H      6.06310005      0.48620528     -0.31625101 
+
+17
+-1626.7105204019167 11.01677 11.73433 -8.6984 -6.7504 -9.944 0.8387 -0.0985 0.331 9.25219 0.2737 4.3451265658 5.6536748098 0.169120071
+C      3.67491483     -0.56143788      1.94942893
+C      2.77799681     -0.35434798      0.73063314
+N      2.68142736      1.04217214      0.30967111
+N      2.04403807      1.93144713      1.21676300
+C      0.62908070      2.13019993      0.84703975
+C      3.43362291      1.57403581     -0.69876853
+O      3.51673061      2.77871419     -0.94205000
+H      3.65420940     -1.61470835      2.26290964
+H      3.32605756      0.05812194      2.78561878
+H      4.71518302     -0.28787081      1.72337267
+H      1.75949044     -0.72122453      0.93559206
+H      3.15000415     -0.91922647     -0.13764523
+H      2.53537163      2.82319688      1.06780138
+H      0.07438852      1.19372811      0.99746738
+H      0.49248655      2.46817743     -0.19397358
+H      0.21007915      2.88123602      1.53021185
+H      3.97570829      0.79089644     -1.27441237 
+
+17
+-1612.730682153309 11.90357 12.51683 -8.4803 -6.4785 -9.123 1.309 -0.2413 0.596 8.57831 0.00824999999998 4.8209600366 5.344664502 0.248739497
+C      1.16543681     -0.24407726     -0.53424169
+C      2.53166310     -0.06983517      0.11596272
+N      3.01631323      1.29935830     -0.07948279
+N      4.29889451      1.50806075      0.34560263
+C      4.68463108      2.67885477      0.70622156
+C      6.12980888      2.87011882      1.06843289
+O      6.87743743      1.67193287      0.97907283
+H      0.80958940     -1.27387239     -0.39777098
+H      1.21119073     -0.02944544     -1.61080429
+H      0.41576531      0.42405653     -0.08237115
+H      3.27149512     -0.73708237     -0.34979701
+H      2.48273588     -0.33566315      1.18986286
+H      2.34827542      2.00790866      0.25274931
+H      4.01009083      3.55125359      0.74549107
+H      6.19565390      3.27626207      2.09765897
+H      6.56917623      3.64121048      0.40270109
+H      6.23662212      1.00232894      0.65402199 
+
+15
+-1485.5389268834535 12.644614 12.20517 -8.6603 -6.8612 -9.336 0.0324 -1.6901 -1.307 8.64116 1.74917 3.27199054 4.2298195858 0.521524763
+C      1.26324118     -0.20986424     -0.72304358
+C      2.43581387     -0.17179671      0.24947153
+N      2.96252301      1.18218953      0.38747519
+N      4.23521478      1.35888214      0.69134292
+C      4.65539070      2.54391372      1.04573698
+C      6.07284569      2.70963860      1.32408732
+O      6.58689220      3.77079963      1.67224916
+H      0.87473796     -1.23384262     -0.80242043
+H      1.56783446      0.12613610     -1.72341899
+H      0.43496486      0.42872310     -0.38097628
+H      3.27122507     -0.78992368     -0.10453653
+H      2.12953063     -0.56608205      1.23593951
+H      2.29417257      1.93919670      0.57944241
+H      3.99071286      3.41791959      1.13990947
+H      6.67239014      1.77424020      1.19602134 
+
+17
+-1626.5430712623163 11.115148 11.94773 -9.1734 -7.2325 -10.214 0.7008 -0.2644 0.428 9.81879 0.17379 4.3623730184 5.9112557248 0.203331227
+C      0.85293579      0.12208512     -0.28960653
+C      2.27057603     -0.28119215      0.09602450
+N      3.17712122      0.86572476     -0.09585227
+N      4.51696684      0.60178871      0.24541405
+C      4.90817153      0.32089762      1.62014219
+C      5.45226621      0.70949483     -0.75863220
+O      6.65772846      0.53461885     -0.61844230
+H      0.17014708     -0.73114591     -0.18101294
+H      0.81496540      0.47134301     -1.33036909
+H      0.47655329      0.92974659      0.35712657
+H      2.63211072     -1.08936541     -0.55802223
+H      2.27988108     -0.66756597      1.13390864
+H      2.85065364      1.66299094      0.46363102
+H      4.60940429      1.14858708      2.28384883
+H      6.00043804      0.22229440      1.62867801
+H      4.45846834     -0.61361176      1.98592606
+H      4.95746204      0.97365927     -1.71812231 
+
+17
+-1637.3818667828484 11.130599 12.07303 -8.8934 -6.8864 -10.29 0.7934 -0.1524 0.45 9.69493 0.19239 4.324817659 8.6112864482 0.138309142
+C      0.73576907      0.59926759     -1.43871947
+C      1.06408637     -0.10732653     -0.13056550
+N      2.53147711     -0.28135730     -0.01904171
+N      2.88631651     -0.81227341      1.24335201
+C      3.34702119      0.02211954      2.23749136
+C      3.91088160     -0.67783816      3.45765258
+O      3.29607086      1.24945556      2.12816177
+H     -0.35163336      0.69777600     -1.55738942
+H      1.13137697      0.03981173     -2.29793736
+H      1.16531379      1.61232719     -1.46113432
+H      0.61040170     -1.11059610     -0.11381041
+H      0.65904631      0.45791701      0.72880854
+H      2.95274195      0.65912028     -0.02223745
+H      3.20553192     -1.77836473      1.22227142
+H      3.38103338     -0.30984109      4.34574941
+H      4.96866157     -0.40388465      3.56828591
+H      3.82323307     -1.77155292      3.41552265 
+
+17
+-1608.2904183153496 11.703963 12.44026 -7.9433 -5.9658 -9.216 0.9917 0.0362 0.706 8.73765 -0.16087 5.0622119954 9.7931953918 0.224645404
+C      0.98964518     -0.13808757     -0.48446554
+C      2.40168007     -0.03388387      0.07714460
+N      3.04081208      1.20088416     -0.39086190
+N      4.36025999      1.30264937      0.04598823
+C      4.83685651      2.47235943      0.24524625
+O      6.13279575      2.70136393      0.58456420
+C      6.95105932      1.52457007      0.70710589
+H      0.51796056     -1.07559616     -0.16002278
+H      1.00173540     -0.11411336     -1.58315079
+H      0.35338718      0.68901145     -0.13227361
+H      3.02388978     -0.86781128     -0.28055402
+H      2.38108631     -0.09747925      1.18389759
+H      2.47668772      2.01967179     -0.12128054
+H      4.28467543      3.41980251      0.15577443
+H      7.94809555      1.88855737      0.97688312
+H      6.98020010      0.97278716     -0.24378131
+H      6.55651307      0.85712426      1.48727618 
+
+15
+-1471.1295496302312 12.220335 11.71522 -7.7608 -5.9482 -8.658 1.0595 -0.4857 0.362 7.95934 0.28147 4.7710804688 4.8838209386 0.365342518
+C      3.26416914     -1.43075828     -0.14059307
+C      2.63967356     -0.06230114     -0.20475008
+N      1.39546341      0.23235671     -0.44221458
+N      3.45080469      1.03084077      0.00810014
+O      2.79331673      2.25894873     -0.06911114
+C      4.80564971      1.07234427      0.28417208
+C      5.52129455      2.19429644      0.48012950
+H      4.05423400     -1.55060109     -0.89526220
+H      2.49340740     -2.18593241     -0.33046019
+H      3.70188749     -1.62944910      0.84787359
+H      0.81726284     -0.59389453     -0.59616034
+H      1.86462584      1.91582504     -0.27177590
+H      5.25889188      0.08352681      0.33095450
+H      5.06383229      3.17943207      0.43226001
+H      6.58447647      2.11356570      0.69152767 
+
+16
+-1578.5202163640997 11.637099 12.5017 -8.9754 -6.9658 -10.337 1.5996 -0.1479 0.551 9.86822 0.07261 5.4923442266 6.4106093398 0.338499656
+C      2.84046576      1.97727970      3.20707364
+C      3.41417353      1.98172313      1.82947751
+N      4.43393855      2.71420864      1.56658571
+O      4.82052252      2.56410704      0.20308996
+C      5.94559919      3.38449885     -0.04896379
+C      6.08221019      3.82891548     -1.47226445
+C      5.72510437      4.83151207     -0.38967941
+H      2.85223730      0.96062394      3.62988253
+H      1.78891316      2.30406554      3.19084594
+H      3.41117635      2.64431218      3.86442224
+H      2.95822539      1.35706224      1.04747169
+H      6.83769355      3.10021751      0.51554766
+H      5.28495726      3.52907421     -2.15246693
+H      7.08055220      3.84799136     -1.90892439
+H      6.47488044      5.55518359     -0.06899181
+H      4.69411024      5.18343451     -0.36039608 
+
+16
+-1590.533160799567 11.137773 12.09957 -8.9624 -6.9314 -10.048 1.2521 -0.0041 0.683 9.42491 0.01519 5.5180217272 12.1473051752 0.269944776
+C      1.06389006      0.02939999     -0.75399195
+C      2.34870973      0.13062284      0.02110723
+N      2.86274803     -0.84574676      0.69025940
+O      2.03757681     -2.00713804      0.61286613
+C      3.06032232      1.43692705      0.05949204
+C      2.90710253      2.33185703      1.28754538
+C      4.22971707      1.68103313      0.97648914
+H      0.79941116      0.99168338     -1.20786834
+H      0.24462890     -0.29620478     -0.09606915
+H      1.14820526     -0.73326981     -1.54262017
+H      2.55462991     -2.63992864      1.14116657
+H      3.06489890      1.96291189     -0.89892309
+H      2.32847934      1.92534004      2.11792871
+H      2.79557266      3.40431855      1.12377286
+H      5.03586927      2.31031339      0.59946058
+H      4.54266806      0.84426075      1.59918463 
+
+15
+-1460.2782643889204 10.754983 11.40137 -9.0065 -6.9701 -10.158 1.0901 -0.0522 0.545 9.55208 0.12794 5.5287341176 6.3008197368 0.23278395
+C      1.08646012     -0.04296125      0.43525629
+C      2.53002197     -0.08752118      0.03702239
+N      3.10035566     -1.05919306     -0.59409194
+O      2.17100992     -2.09107282     -0.90158820
+C      3.43680157      1.04958527      0.34976948
+C      2.98403576      2.47424690      0.28625548
+N      3.15850075      1.81589236      1.59153837
+H      0.45084845      0.17181860     -0.43756444
+H      0.92860619      0.72392481      1.20263633
+H      0.77223733     -1.02109419      0.82214593
+H      2.74903575     -2.74386437     -1.33382380
+H      4.47895576      0.85825074      0.08132380
+H      1.94641009      2.69987799      0.02818714
+H      3.71526429      3.21475373     -0.04737986
+H      4.04558636      2.09906648      2.01769303 
+
+14
+-1388.4191702680914 9.982049 10.80171 -9.303 -7.2511 -10.305 1.3358 -0.3315 0.419 9.71636 0.23735 5.4763252354 6.2867473258 0.212352075
+C      0.90467668     -0.09820484     -0.64417211
+C      2.28967470      0.05076379     -0.08310212
+N      2.97020188     -0.89828432      0.46078312
+O      2.22300609     -2.10666029      0.47479255
+C      2.92346029      1.40221083     -0.14772288
+C      3.19395541      2.20184004      1.07179172
+O      4.25715110      1.58084699      0.33377169
+H      0.54748948      0.84144553     -1.08310259
+H      0.20457320     -0.41115178      0.14425691
+H      0.88387475     -0.88610378     -1.41085223
+H      2.86245742     -2.71850339      0.88008082
+H      2.69245228      1.95713297     -1.06766021
+H      2.98000486      1.74799284      2.04514587
+H      3.15686186      3.29552541      1.01901946 
+
+18
+-1729.9891016670986 12.25603 13.10827 -8.8206 -6.9317 -10.309 1.7161 -0.0553 0.598 9.80904 0.01671 5.4033470758 6.4009384318 0.355355941
+C      1.07596892      1.07679466     -0.55999819
+C      2.50610706      0.84336831     -0.20348725
+N      3.33757872      1.82123868     -0.22609041
+O      4.63729150      1.39803722      0.11612854
+C      5.52473319      2.55023516      0.15295648
+C      5.24177138      3.41187220      1.37765917
+C      6.93305874      1.97503074      0.13351774
+H      0.77856285      0.44770900     -1.41375117
+H      0.91040704      2.12966026     -0.81946447
+H      0.41508230      0.80736777      0.27903243
+H      2.83942211     -0.16710670      0.07474323
+H      5.33954891      3.13405819     -0.76532632
+H      5.41858869      2.83906057      2.30038053
+H      4.19853785      3.75343670      1.36857347
+H      5.89601685      4.29578766      1.38501957
+H      7.10667419      1.34638995      1.01921689
+H      7.67097438      2.78878128      0.14057708
+H      7.09473532      1.36429836     -0.76467732 
+
+16
+-1580.2072447753524 12.4328 13.05185 -9.0438 -7.0439 -9.584 1.5934 -0.1623 0.519 9.04903 0.1081 5.4448575886 6.4015955576 0.505549537
+C      3.82821416      5.55680044      1.65647204
+C      4.32374909      4.67439262      0.56024136
+N      5.41943714      4.02311681      0.71136086
+O      5.72459371      3.26781352     -0.44569739
+C      6.89794076      2.46802972     -0.18134514
+C      7.45742531      2.02043535     -1.49342667
+C      7.70165073      0.74370284     -1.80582195
+H      3.73831562      6.59745323      1.30703557
+H      4.51041491      5.52743927      2.51483237
+H      2.82482075      5.24377441      1.98511179
+H      3.74873472      4.59001529     -0.37334193
+H      6.63349070      1.60694104      0.45670891
+H      7.62589784      3.09402685      0.36254382
+H      7.69214376      2.81703352     -2.20668881
+H      7.46555356     -0.06784861     -1.11280870
+H      8.15424725      0.46616372     -2.75876614 
+
+14
+-1421.5226255019415 11.864109 12.7011 -9.2596 -7.2369 -9.773 1.4322 -0.3398 0.454 9.38362 0.17573 4.4164805088 10.8501760418 0.851820651
+C      0.21563472      0.49393647     -0.39099313
+C      1.50936392     -0.19897264     -0.12516877
+N      2.52064496      0.47624855      0.28399892
+O      3.64464955     -0.36589833      0.47586999
+C      4.73183950      0.46847783      0.93320633
+C      5.90394877     -0.36509937      1.14222671
+C      6.89986991     -1.02998930      1.33226925
+H     -0.09171704      0.35255460     -1.43881196
+H      0.30266943      1.56765627     -0.18591977
+H     -0.58540636      0.07265455      0.23609495
+H      1.58911806     -1.28434687     -0.28124407
+H      4.44296786      0.97025768      1.87264582
+H      4.94139083      1.24800474      0.18073054
+H      7.77703589     -1.62227417      1.49549518 
+
+17
+-1598.276111442559 11.88145 12.80573 -9.0342 -6.9709 -10.398 1.6677 -0.1032 0.56 9.90623 0.04636 5.4269168144 6.4399072316 0.378436295
+C      1.23697656      0.39099265     -0.15494330
+C      2.72520591      0.31282199     -0.07743736
+N      3.42069714      1.39139564     -0.10010712
+O      4.80185869      1.11135991     -0.02078130
+C      5.52414799      2.35444227      0.00447648
+C      7.00828962      2.01274733      0.03592999
+N      7.78637839      3.25923012      0.07837557
+H      0.86138523     -0.17049596     -1.02455950
+H      0.91081203      1.43491621     -0.23623775
+H      0.77659144     -0.05861936      0.73884434
+H      3.21630885     -0.66813193      0.00032902
+H      5.24620102      2.94174032      0.89400043
+H      5.27329740      2.94365402     -0.89521545
+H      7.24201679      1.34884954     -0.81947382
+H      7.21993749      1.44334355      0.95410461
+H      7.75681508      3.72212306     -0.83361863
+H      8.76907038      3.04779063      0.25849379 
+
+13
+-1330.7318153711158 10.664172 11.47891 -9.868 -7.8092 -10.916 1.0466 -0.7503 0.183 10.40745 0.44513 5.4205935284 6.5769985518 0.389136332
+C     -0.52701444      1.18201268      0.39371141
+C      0.26389164      0.07051147     -0.20766885
+N      1.54150460      0.06948827     -0.09992400
+O      2.09446592     -1.07786838     -0.74163553
+C      3.51591856     -0.99296363     -0.58300970
+C      4.11656559     -2.16393245     -1.21875871
+N      4.63548841     -3.08205549     -1.71412065
+H     -1.24794151      0.78791306      1.12622561
+H     -1.11093637      1.70095726     -0.38190087
+H      0.13131378      1.90430551      0.89049981
+H     -0.25216230     -0.74095156     -0.73968366
+H      3.79036718     -0.97673308      0.48511624
+H      3.90945892     -0.07846366     -1.05788110 
+
+17
+-1606.328657252492 11.036167 11.68836 -8.8035 -6.8668 -9.978 0.7544 -0.2929 0.931 9.27396 -0.32543 4.9118541732 8.5762604032 0.153731604
+C      2.25956473      0.87742422      2.05728875
+C      3.06780283      0.21668754      0.94076009
+N      3.65607319      1.15031659     -0.03452912
+O      2.58918277      1.85662684     -0.69742835
+C      4.68462035      2.03803867      0.38225627
+C      5.76470779      1.38813884      1.21360604
+N      4.79752270      3.26724650      0.03249962
+H      1.83185236      0.11072098      2.71882811
+H      1.43502999      1.46895177      1.63886807
+H      2.88595258      1.54452016      2.66676041
+H      2.43789098     -0.47943692      0.36767237
+H      3.89945867     -0.37436462      1.34897771
+H      2.67471524      1.54832390     -1.61883997
+H      5.42289389      1.19054315      2.24042224
+H      6.60890472      2.08368572      1.25837775
+H      6.09742975      0.43605125      0.77701113
+H      3.96186747      3.54344540     -0.50327114 
+
+17
+-1593.39050069336 11.187612 11.73895 -8.7754 -6.8571 -9.858 0.8634 -0.1501 0.874 9.12804 -0.33662 4.9199008646 6.230234507 0.164708492
+C      4.25933425     -1.14691639      0.80680313
+C      3.21483029     -0.18472195      0.24270812
+N      3.71232849      1.16726524     -0.04333003
+O      4.19228769      1.80167926      1.14462095
+C      3.28072962      2.85175058      1.50553965
+C      4.57246845      1.35067358     -1.13304076
+N      5.54907993      2.16651833     -1.26724785
+H      3.80109314     -2.12433446      1.01352820
+H      4.67782592     -0.75795664      1.74400753
+H      5.08457834     -1.29676620      0.09645971
+H      2.36405312     -0.08043932      0.93297140
+H      2.80491707     -0.55877084     -0.70854594
+H      3.70113415      3.29541153      2.41752371
+H      2.27550986      2.45414637      1.71870220
+H      3.21593136      3.61208254      0.71249109
+H      4.26669750      0.71852516     -1.98015519
+H      5.71205083      2.65291321     -0.37211592 
+
+16
+-1533.3958308352899 10.963194 11.50557 -9.3213 -7.2583 -10.548 1.2131 -0.5452 0.338 10.07607 0.29256 5.348880026 6.4170566118 0.349295116
+C      3.78984822      4.34376693     -3.75256763
+C      4.41115454      3.39911757     -2.78116084
+N      5.40578897      3.77381787     -2.06176828
+O      5.85886416      2.73510350     -1.21583412
+C      6.94071878      3.22371990     -0.39045620
+C      8.16275834      3.65919352     -1.18389238
+O      7.99602179      4.91661529     -1.83309042
+H      4.28952593      5.31965119     -3.72554270
+H      2.72149338      4.48329620     -3.52555869
+H      3.84806945      3.94062138     -4.77549080
+H      4.01601491      2.37814019     -2.68097361
+H      7.18242657      2.35946300      0.24538223
+H      6.57771452      4.05094914      0.24248393
+H      8.42104673      2.85995209     -1.90690388
+H      9.01132031      3.76686735     -0.48859670
+H      7.08326339      4.89806487     -2.19280990 
+
+14
+-1422.0151838531588 10.558497 11.15363 -9.9711 -7.9345 -10.979 1.1258 -0.6816 0.237 10.42311 0.35177 4.4103803976 6.7059563904 0.435316986
+C     -0.71043086      1.95857144      1.67216690
+C     -0.60878203      0.60583744      1.05347892
+N      0.26692364      0.39856044      0.14182024
+O      0.16656777     -0.97078747     -0.29271995
+C      1.07824045     -1.28443217     -1.29636109
+C      0.89907030     -2.74112002     -1.65116873
+O      1.87198983     -0.51694535     -1.78167161
+H     -0.54886148      1.89416186      2.75901687
+H     -1.71984784      2.37109792      1.52221386
+H      0.02789865      2.64143330      1.23616376
+H     -1.28592838     -0.19392829      1.38682175
+H      1.22493102     -3.37004111     -0.81109856
+H      1.50499558     -2.96757316     -2.53313532
+H     -0.15682664     -2.96935482     -1.84493703 
+
+14
+-1397.4198531817126 10.610766 11.36714 -9.6083 -7.5211 -10.846 0.9014 -1.1643 0.067 10.02069 0.56006 3.6679522296 6.5408442342 0.409345553
+C      0.68561542     -0.04594301      0.00152877
+C      2.15972537     -0.04400237     -0.22481139
+N      2.90063556      0.78072900      0.42078935
+O      4.26846212      0.60509933      0.07784503
+C      5.04201392      1.61733439      0.72117672
+C      6.47649680      1.13717594      0.80885412
+O      7.40839876      1.87185962      1.06957602
+H      0.35224073     -1.02778795      0.37171036
+H      0.15025599      0.13834769     -0.94257718
+H      0.40421711      0.72434271      0.72934833
+H      2.60336057     -0.75018686     -0.94086399
+H      4.66954321      1.78807270      1.74698198
+H      4.99860239      2.57684390      0.17805144
+H      6.61337205      0.03954490      0.63577042 
+
+16
+-1557.1113469158956 10.345369 11.14386 -8.5881 -6.6812 -10.299 0.7363 -0.2397 0.159 9.88529 0.51001 4.3807105478 12.4653912582 0.185590628
+C      2.63732114     -0.58216388      1.61172605
+C      2.75109525     -0.24349633      0.12441138
+N      3.07282163      1.14795860     -0.13413855
+O      2.03087398      2.02832003      0.21583137
+C      4.28261501      1.75891086     -0.27306255
+C      5.48913344      0.89685073     -0.56539728
+O      4.33155059      3.00246405     -0.17808665
+H      2.32161440     -1.62729588      1.73411072
+H      1.89282647      0.06351230      2.09415826
+H      3.59882505     -0.44869635      2.12640382
+H      1.80358812     -0.45800179     -0.39407586
+H      3.52974509     -0.84522499     -0.36195042
+H      2.55386871      2.88369383      0.20173737
+H      5.29962578      0.17375028     -1.36936383
+H      5.80451288      0.34278387      0.33067819
+H      6.30439244      1.56245467     -0.86731201 
+
+16
+-1539.3722479057003 10.46827 11.132 -9.2966 -7.3431 -10.566 1.231 -0.2247 0.147 9.84433 0.44561 4.2156851818 6.0598653444 0.164839717
+C      1.52348427     -0.47173333      0.82575579
+C      3.00868186     -0.12724819      0.81428896
+N      3.37423042      0.88427766     -0.17572038
+O      2.99314669      2.20957353      0.17728287
+C      1.96077593      2.68425889     -0.70647626
+C      4.54963800      0.80652680     -0.89546044
+O      5.17814080     -0.22575122     -1.09231191
+H      1.33713057     -1.26764373      1.56046034
+H      1.19254823     -0.82996455     -0.15889710
+H      0.90976990      0.39273706      1.11381288
+H      3.61961769     -1.00160507      0.54884781
+H      3.33529002      0.22742430      1.80674771
+H      1.70969816      3.68519468     -0.33285532
+H      1.07203520      2.03690272     -0.67319247
+H      2.32527989      2.75683513     -1.74297424
+H      4.82790236      1.80079531     -1.30988823 
+
+17
+-1601.2292652938952 11.66219 12.21711 -8.0226 -6.147 -9.395 0.9145 -0.0765 0.638 8.68897 -0.02938 4.7199858382 5.5013456102 0.184193039
+C      1.52881917      2.19369502      1.10659233
+C      2.14145678      0.87665924      0.62846915
+N      3.47375286      0.99561881      0.04675102
+O      3.47316279      1.78571659     -1.13074756
+C      4.58563192      1.20670813      0.82162873
+N      5.55361997      1.91651885      0.35472130
+C      6.77321033      2.03311270      1.12875681
+H      0.51358090      2.01912560      1.48974681
+H      1.46706570      2.91078884      0.27827746
+H      2.12835259      2.64273995      1.91135064
+H      1.50235943      0.40430784     -0.13255295
+H      2.24107812      0.15776346      1.45669835
+H      4.37930220      2.20732322     -1.04968113
+H      4.56974832      0.68785983      1.79402048
+H      7.00983615      3.09581779      1.29434966
+H      7.61970781      1.59923723      0.57200680
+H      6.71872498      1.53336691      2.11466210 
+
+15
+-1452.9221416973214 10.561513 11.32281 -9.1161 -7.0784 -10.041 1.5762 -0.0928 0.704 9.43237 -0.04507 5.3598651856 11.8474326356 0.20224775
+C      1.07164213      0.11732637      0.48035959
+C      2.22861369      0.11830546     -0.47188389
+N      2.92345258     -0.91616030     -0.79033474
+O      2.45378939     -2.08091635     -0.11894766
+N      2.55818387      1.38938336     -1.05410009
+C      3.06822338      1.37957752     -2.45139237
+C      3.99574397      1.65303485     -1.33047415
+H      0.66271157      1.12837967      0.56988551
+H      1.38935095     -0.24719353      1.46850900
+H      0.28964463     -0.57381378      0.13247862
+H      3.06677618     -2.75663403     -0.45755207
+H      2.69164274      2.19914856     -3.06739289
+H      3.14938189      0.40231861     -2.93150484
+H      4.69515641      0.85824283     -1.06358779
+H      4.30915662      2.67628075     -1.11197222 
+
+15
+-1463.3845450828462 12.101446 12.09293 -8.2309 -6.2946 -8.579 0.8382 -0.6645 0.343 8.00583 0.33841 4.1257829332 5.4812102838 0.443771593
+C      0.99376749      0.50214974      0.15006938
+C      2.28845818     -0.23987014      0.02087953
+N      2.22873693     -1.63945676     -0.05633336
+O      0.97772449     -2.18035740     -0.49600009
+N      3.41819242      0.38681960      0.03659661
+C      4.62002510     -0.32416052      0.05577283
+C      5.69987905      0.01034920     -0.67583323
+H      1.22031824      1.56827741      0.24440898
+H      0.43546073      0.16658299      1.03624329
+H      0.34814244      0.32623097     -0.72110516
+H      2.96630424     -2.03555125     -0.64581048
+H      0.70424241     -2.74039145      0.25483785
+H      4.68727785     -1.16753980      0.76145561
+H      5.66675287      0.84834075     -1.37368576
+H      6.62613756     -0.55507336     -0.58606600 
+
+18
+-1737.1458935259604 11.490294 12.88179 -8.5316 -6.3758 -9.983 0.9064 -0.0272 3.203 9.59115 -2.87979 7.9867937634 13.266316021 0.152361265
+C      2.08483284      4.31677778     -0.55677308
+C      3.20645663      3.63095959      0.19973792
+O      3.84873102      2.69957904     -0.68248131
+C      4.90636170      2.02001500     -0.05625880
+C      5.98233596      1.48862252     -0.96100234
+C      6.29925833      2.63221077     -0.02620508
+N      7.25705778      2.44265218      1.04278657
+H      1.56345082      5.02668205      0.10044974
+H      1.35528025      3.58043176     -0.92107360
+H      2.47935374      4.86920686     -1.42075620
+H      2.81033046      3.09087711      1.08288370
+H      3.94581144      4.36886065      0.56641847
+H      4.61316899      1.40413122      0.80678069
+H      5.89047191      1.71494770     -2.02341277
+H      6.39632790      0.50369481     -0.73554375
+H      6.37597425      3.60985198     -0.51232767
+H      7.33664172      1.45290989      1.28430419
+H      6.95678426      2.93332908      1.88927331 
+
+18
+-1746.8550472313723 11.369739 12.71377 -8.7708 -6.5941 -9.991 0.8378 -0.1132 2.806 9.51988 -2.45893 8.0506465534 11.586057749 0.109775909
+C      3.04599115     -1.19252597     -0.45096278
+C      2.43078340      0.06321959      0.16612710
+O      1.88341654     -0.21293672      1.47367419
+C      3.39811681      1.22755499      0.19585753
+C      3.52133319      2.15070250     -1.00810907
+C      2.88854689      2.65573921      0.25649268
+N      3.52419287      3.72129279      1.00256960
+H      3.38266367     -0.99963122     -1.47988177
+H      2.31543254     -2.01260773     -0.46591848
+H      3.92321243     -1.52077733      0.13030349
+H      1.54898496      0.36014554     -0.42777108
+H      2.61599249     -0.52798012      2.03373453
+H      4.33382168      1.03366166      0.73426995
+H      2.88298887      1.96286122     -1.87361056
+H      4.51623176      2.52247070     -1.26167983
+H      1.79929729      2.75726583      0.23697669
+H      4.53800011      3.69518318      0.86918699
+H      3.35573336      3.59521190      2.00452082 
+
+16
+-1617.6086373542007 10.615627 11.67302 -8.9296 -6.8257 -10.351 1.1418 -0.6181 0.297 9.53014 0.45063 3.7476380318 7.9074799192 0.126193742
+C      1.08327125      0.12575743      0.87434039
+C      2.20934849      0.19078542     -0.12890969
+O      2.26301727     -0.53185426     -1.11648983
+C      3.29545009      1.23832332      0.08901676
+C      3.07011110      2.61122677     -0.61898219
+C      3.61656629      3.24193275      0.68249062
+N      3.33112098      1.96083466      1.38773926
+H      1.48073528     -0.16873947      1.85771023
+H      0.32861184     -0.59360520      0.53907093
+H      0.64153316      1.12112567      1.02610401
+H      4.25780587      0.79408285     -0.22644613
+H      2.00493151      2.82548314     -0.77797825
+H      3.62237913      2.77932918     -1.54913007
+H      4.69213134      3.48037057      0.59907792
+H      3.08611558      4.11498716      1.09191020
+H      4.06206082      1.64924998      2.03149584 
+
+18
+-1744.6996024233272 11.224764 12.4379 -8.7666 -6.6185 -10.187 0.8475 -0.1187 2.834 9.47498 -2.51631 8.1232155592 10.624050375 0.090561536
+C      2.27422209     -0.48707206     -1.38497576
+C      2.53462886      0.03249411      0.02647750
+O      3.24815828     -0.93172485      0.82474839
+C      3.26801032      1.36903237      0.02409820
+C      2.59412842      2.62632011     -0.58790082
+C      3.17356270      3.38593406      0.62913292
+N      3.30779501      2.08115971      1.32792626
+H      1.64015352      0.20587183     -1.95708733
+H      1.77049883     -1.46193219     -1.34230392
+H      3.21951844     -0.61076225     -1.93956759
+H      1.58220685      0.17520392      0.56300586
+H      4.04769190     -1.18329245      0.32672371
+H      4.27603943      1.21992844     -0.42506231
+H      1.49763259      2.55951462     -0.54860926
+H      2.91285337      2.94005680     -1.58853191
+H      4.13524526      3.87318942      0.37981070
+H      2.52539547      4.11422745      1.14014202
+H      4.15646866      1.94782097      1.88107335 
+
+18
+-1747.2949383976495 11.043112 12.28896 -9.3912 -7.3006 -10.899 0.8753 -0.0627 2.612 10.29592 -2.27232 8.469111702 12.7204304602 0.116893835
+C      2.74738536     -1.58223462     -0.39421057
+C      2.10275050     -0.22316714     -0.16946857
+O      1.13188368     -0.37049710      0.87830594
+C      3.08704051      0.89182628      0.19122428
+C      4.06781436      0.61566120      1.31005527
+C      3.43173445      1.89414834     -0.85356136
+N      2.39729420      2.21097005      0.16322025
+H      3.51859784     -1.52033950     -1.17505312
+H      1.98702787     -2.30754209     -0.71216140
+H      3.20844464     -1.95703875      0.53028411
+H      1.59101052      0.09144949     -1.10023919
+H      0.74372042      0.51838038      0.99122376
+H      4.64197424      1.52066125      1.55783114
+H      4.78784045     -0.16776578      1.03104199
+H      3.53698414      0.28166482      2.21384418
+H      3.04891457      1.77956036     -1.87122901
+H      4.40330302      2.39040646     -0.78092143
+H      2.80910924      2.81999635      0.87861372 
+
+18
+-1740.2505190635366 11.342609 12.68692 -9.1545 -7.0704 -10.621 0.9326 0.058 2.84 9.92149 -2.49942 8.418463421 12.044248012 0.122613793
+C      3.24711312     -1.33278824     -0.30202009
+C      2.55861543     -0.02902407      0.06920450
+O      2.01607294     -0.18362636      1.39112857
+C      3.50327492      1.15680782      0.03311231
+C      3.45559154      2.18010252     -1.05303429
+N      2.87093501      2.46352925      0.26507845
+C      3.63028723      3.39775618      1.09570598
+H      3.66976969     -1.27112030     -1.31459303
+H      2.53045056     -2.16388962     -0.27113039
+H      4.05936903     -1.55166482      0.40645994
+H      1.73514039      0.17077848     -0.64511900
+H      1.63074293      0.68440451      1.61537704
+H      4.47693079      0.99423519      0.51481061
+H      2.74188476      2.07236347     -1.87414673
+H      4.39285471      2.68421431     -1.31160908
+H      3.40787050      3.20551433      2.15521796
+H      3.32015985      4.42586614      0.85878176
+H      4.72665658      3.32019121      0.95044548 
+
+18
+-1733.8025844633873 11.335816 12.64725 -8.7242 -6.5316 -10.189 0.8878 -0.0692 3.071 9.62573 -2.7956 8.206137396 12.7340937174 0.129381585
+C      0.94841208      0.81283619      1.04720470
+C      2.45850142      0.68080724      1.10969414
+O      3.03707632      1.54849265      0.12937948
+C      4.44626340      1.45809853      0.08777753
+C      5.12566526      2.37041767     -0.94562602
+N      6.16302306      2.78076314      0.06675027
+C      5.30528662      2.19077244      1.15409476
+H      0.47960600      0.15606164      1.79338634
+H      0.57491221      0.53194305      0.05285122
+H      0.64040919      1.84705879      1.25342866
+H      2.77048850     -0.36451392      0.90916720
+H      2.83035814      0.94776818      2.11854040
+H      4.76076884      0.40011688     -0.02176071
+H      4.48703617      3.22856796     -1.20830440
+H      5.50701071      1.90764852     -1.86660053
+H      6.99103500      2.19069220     -0.05390265
+H      5.83637977      1.58513978      1.90262878
+H      4.73694731      2.98612906      1.66399084 
+
+16
+-1591.2689137012399 11.490945 12.31457 -8.6242 -6.5659 -9.418 0.8431 -0.1938 1.235 8.95794 -0.7343 6.3911435378 6.3911435378 0.443317327
+C      1.42020031      3.14409019     -0.32630668
+C      2.62825323      2.61584769     -0.55234447
+O      3.17208060      1.64870384      0.25072190
+C      4.54562853      1.34786818      0.00865469
+C      5.63836775      2.15181736      0.75276063
+N      6.32017188      0.86859126      1.14433206
+C      5.07643565      0.11455357      0.75326775
+H      1.02420604      3.88471854     -1.01665852
+H      0.81674525      2.84511361      0.53026338
+H      3.24555500      2.91428709     -1.40793235
+H      4.73332948      1.29722932     -1.07913074
+H      5.23675157      2.66053864      1.64330530
+H      6.24459277      2.86030733      0.17061320
+H      7.05776976      0.66487971      0.46433742
+H      5.22962505     -0.80727331      0.17544890
+H      4.47092713     -0.11187302      1.64470753 
+
+16
+-1615.2141288474197 10.57233 11.58035 -9.0127 -6.8055 -10.465 1.0113 -0.6599 0.275 9.59648 0.47175 3.7531430102 11.5098807506 0.130367435
+C      0.77573616      0.23196492     -0.13393966
+C      2.15314357      0.18333623      0.49991783
+O      2.45326005     -0.66815847      1.32405072
+C      3.15562857      1.22833002      0.02596494
+C      2.73845261      2.72418283      0.15785530
+N      3.56603144      2.80893936      1.38908589
+C      4.28990281      1.55653823      1.02174577
+H      0.83321921      0.44507814     -1.21119198
+H      0.19348604      1.04697665      0.32320291
+H      0.25193930     -0.71379997      0.04257415
+H      3.46971975      0.93229761     -0.98755502
+H      1.67035807      2.94696360      0.31154377
+H      3.10575625      3.32645452     -0.69340855
+H      4.15438917      3.64259876      1.44996948
+H      5.25855868      1.71631643      0.51623112
+H      4.41401833      0.84189112      1.84792334 
+
+18
+-1742.7236827696443 11.116836 12.243 -8.8056 -6.604 -10.276 0.8533 -0.1058 2.852 9.59035 -2.53683 8.314563153 10.7564922202 0.06655383
+C      2.17572644     -0.51018387     -1.36861364
+C      2.47735242      0.08457732      0.00474954
+O      3.01566624     -0.91257681      0.89536751
+C      3.40373948      1.29951412     -0.07266944
+C      2.73800353      2.60112052     -0.60158883
+N      2.52871955      3.03508307      0.80533072
+C      3.55812178      2.06144429      1.26886110
+H      1.69842658      0.22619752     -2.03131579
+H      1.50429081     -1.37385551     -1.27159205
+H      3.10480490     -0.84728318     -1.85805999
+H      1.53635902      0.39625765      0.48830989
+H      3.80817354     -1.28621222      0.46798839
+H      4.34479482      1.01539669     -0.57103044
+H      1.80902707      2.49641457     -1.18700496
+H      3.45039389      3.22126916     -1.17622242
+H      2.74670976      4.01615981      0.99078648
+H      4.57068938      2.48871592      1.38661604
+H      3.29073078      1.50718092      2.18132787 
+
+18
+-1745.289384926203 11.292069 12.79464 -9.315 -7.2069 -10.927 0.9237 -0.044 2.73 10.30592 -2.3999 8.555343965 9.3947415836 0.136596755
+C      3.02320427     -1.16528377     -0.43255865
+C      2.41993874      0.09083777      0.19317566
+O      1.81647425     -0.19453503      1.46983115
+C      3.42771324      1.21879816      0.29779925
+N      3.72614434      2.07155639     -0.88007225
+C      2.98477208      2.63582080      0.27870714
+C      3.68543355      3.71288968      1.06702154
+H      3.43188129     -0.95255379     -1.43113093
+H      2.26426229     -1.95388844     -0.52110969
+H      3.85113118     -1.54631267      0.18735672
+H      1.57637553      0.44077627     -0.42904770
+H      2.49646931     -0.61326169      2.02807163
+H      4.32497152      0.97281792      0.88243028
+H      3.06099150      1.84574945     -1.62981417
+H      1.90579087      2.78036650      0.14803049
+H      4.76109300      3.50006366      1.13609657
+H      3.27400276      3.78006782      2.08523117
+H      3.56628028      4.69461097      0.58479180 
+
+18
+-1750.9619978718592 11.153444 12.33273 -9.1975 -7.0348 -10.369 0.8855 -0.0945 2.754 9.77517 -2.37883 8.0727780544 12.1524753914 0.129163349
+C      2.86837578     -1.39409692     -0.37773438
+C      2.32723118     -0.11118869      0.23634303
+O      1.90031348     -0.44520655      1.57434286
+C      3.34346634      1.03058048      0.27020403
+N      4.58639654      0.82619254      0.98894260
+C      3.42510788      1.93874203     -0.93016422
+C      2.77922391      2.43758429      0.34577483
+H      3.19562136     -1.21713844     -1.41159323
+H      2.09100707     -2.16935885     -0.38274464
+H      3.72050539     -1.77385840      0.20438371
+H      1.45349947      0.22661443     -0.35708905
+H      1.54932410      0.37217045      1.97186514
+H      4.37502419      0.44457623      1.91629034
+H      5.15529739      0.12258644      0.50946161
+H      2.77847144      1.72729444     -1.78320254
+H      4.41095408      2.33233828     -1.17721968
+H      3.34142437      3.15505412      0.94242801
+H      1.69479602      2.56634412      0.34749160 
+
+18
+-1733.5450227201213 11.449384 13.02044 -9.4809 -7.2749 -11.006 1.008 0.0657 3.114 10.34636 -2.82359 8.9037942194 11.6501089166 0.12388212
+C      2.12680211      1.43445307      2.27716626
+C      2.87550167      1.41623415      0.95770708
+O      3.85355371      2.45503120      0.97011569
+C      4.58583124      2.51369090     -0.24994694
+C      5.57651643      3.64578219     -0.17014904
+C      6.94751923      3.43694343      0.36389622
+N      6.72371678      3.53211119     -1.09710316
+H      1.36412191      0.64331361      2.29089721
+H      1.62684991      2.40147234      2.42619957
+H      2.81524124      1.26779369      3.11710691
+H      2.17727227      1.56770582      0.10933816
+H      3.37153064      0.43647089      0.80227113
+H      3.89533520      2.67392048     -1.10403199
+H      5.12908156      1.56607132     -0.43648639
+H      5.13369334      4.63513737     -0.01674243
+H      7.23823087      2.44328550      0.71402231
+H      7.42773875      4.27044433      0.88175944
+H      6.99036315      4.46473853     -1.42635003 
+
+16
+-1592.93147781556 11.244282 12.31154 -8.8956 -6.7397 -9.527 0.9396 -0.02 1.16 9.0567 -0.67407 6.42123494 6.42123494 0.363910783
+C      2.32456554      2.17996687      0.53253174
+C      3.30108853      2.40352474      1.42590065
+O      4.60464159      2.72613363      1.19196409
+C      4.98364795      2.86136267     -0.18783259
+C      6.43745854      3.24683663     -0.23980098
+C      7.50875788      2.21673327     -0.26682931
+N      7.11029671      2.91002463     -1.51230040
+H      1.33218172      1.93056716      0.90222818
+H      2.46655753      2.23114240     -0.54501798
+H      3.12663719      2.34120339      2.50240204
+H      4.35581587      3.63473978     -0.66630131
+H      4.82789873      1.90912437     -0.72374389
+H      6.68115370      4.20129625      0.23712161
+H      7.23617324      1.15927841     -0.22865235
+H      8.46634282      2.46668267      0.19546627
+H      7.79556246      3.63609312     -1.74067577 
+
+16
+-1616.6311560034676 10.661796 12.05214 -9.3 -7.2181 -10.688 1.2423 -0.5853 0.157 9.74054 0.56972 3.7412279556 8.1556874926 0.143698006
+C      0.98917318     -0.11892585     -0.18198264
+C      2.46072304     -0.26361936      0.15558795
+O      2.96024104     -1.34961101      0.41480791
+C      3.27512923      1.02458084      0.16138147
+C      4.76653808      0.81414596      0.24933426
+C      5.61694590      0.74797714     -0.96752024
+N      5.59597662      1.97656502     -0.13892478
+H      0.52662395      0.69149561      0.40037930
+H      0.46658104     -1.06383023      0.00180429
+H      0.88321086      0.15377223     -1.24364210
+H      2.92462046      1.62607270      1.02104938
+H      3.02660059      1.62813127     -0.72739336
+H      5.09565829      0.20775045      1.09742973
+H      5.15819970      0.85967458     -1.95359324
+H      6.49778903      0.10249715     -0.94079234
+H      6.43743898      2.00986349      0.44471441 
+
+18
+-1744.7768004531092 11.075265 12.25754 -9.4724 -7.3111 -10.939 0.7786 -0.1991 2.809 10.36836 -2.50978 8.7483653698 12.7779723628 0.10491183
+C      3.55509099     -0.45046017     -1.82564390
+C      2.96695344     -0.30194964     -0.41869459
+O      3.42218399     -1.34896620      0.44753133
+C      3.23242005      1.07818499      0.21485000
+C      4.70527591      1.41504239      0.34377566
+C      5.30380005      1.85016252      1.63427782
+N      5.51052208      0.46172604      1.16464227
+H      3.13792132      0.30030051     -2.51536113
+H      3.32069620     -1.44887884     -2.21787805
+H      4.65016629     -0.34425993     -1.81611437
+H      1.87168842     -0.42815034     -0.49073018
+H      4.23272909     -1.00415073      0.88827033
+H      2.76671745      1.08042450      1.21308622
+H      2.73605094      1.86515987     -0.37649476
+H      5.19062902      1.79667684     -0.55977839
+H      4.66259193      1.94037502      2.51429813
+H      6.15526983      2.53358476      1.60854063
+H      6.44977301      0.36270841      0.76865298 
+
+20
+-1883.95129753603 12.13717 13.6856 -9.1589 -6.8384 -10.565 1.0061 0.0701 3.214 9.93609 -2.97939 8.8093044888 12.2134021118 0.182891768
+C      3.85188933      3.44684828     -3.24509963
+C      3.88522784      2.26436186     -2.29469856
+O      4.92563237      2.46836433     -1.34177802
+C      5.02404725      1.38935324     -0.41313027
+C      6.16180080      1.65528254      0.56010978
+C      5.93375267      2.86414909      1.46752433
+N      7.03946705      2.98759484      2.43463633
+H      3.05857717      3.31021678     -3.99320507
+H      4.81131539      3.54893890     -3.77089579
+H      3.65628837      4.37951794     -2.69801610
+H      4.06550170      1.32100980     -2.85052255
+H      2.91236756      2.15465938     -1.77282720
+H      5.20425060      0.44059815     -0.95830450
+H      4.06437852      1.27583883      0.13455095
+H      7.09242961      1.79340476     -0.01720136
+H      6.30547438      0.76216292      1.18908513
+H      5.00495044      2.70838471      2.04252957
+H      5.77738481      3.76215485      0.84059908
+H      7.90342999      3.21592493      1.93383406
+H      6.86383414      3.77899388      3.05822983 
+
+12
+-1340.5057625878515 12.175914 12.0733 -9.1402 -7.1639 -9.427 0.2176 -1.4376 -0.318 8.97489 0.81304 4.9569850772 5.0275951042 0.406254953
+C      0.97972560     -0.21488965     -0.36015069
+C      2.31027467     -0.26136874     -0.31590782
+O      3.04604819      0.84750696      0.07035415
+C      4.39407560      0.73059110      0.10411708
+C      5.16887975      1.77591776      0.46501627
+C      6.57891872      1.66557736      0.50555905
+N      7.74799633      1.60291942      0.54928152
+H      0.42718506     -1.09899917     -0.66793541
+H      0.43015409      0.68722150     -0.09554283
+H      2.90470371     -1.14248225     -0.57181484
+H      4.81184273     -0.24192183     -0.17218128
+H      4.71867554      2.73257754      0.73437480 
+
+12
+-1333.9737216084113 11.413505 11.36782 -9.0936 -7.0663 -9.462 0.0155 -1.721 -0.34 9.05522 0.80218 5.0221273216 6.3468929344 0.358581388
+C      1.02908656      0.11240824     -0.60190279
+C      2.29104734     -0.12061401     -0.24092380
+O      3.21566584      0.91070675     -0.23773526
+C      4.51984096      0.68151478      0.12900556
+C      5.40733058      1.69290214      0.14160652
+C      4.91309030     -0.65016379      0.49339122
+N      5.23141474     -1.73538097      0.78985511
+H      0.31782575     -0.70975608     -0.59719214
+H      0.69021513      1.10328443     -0.90138041
+H      2.66937014     -1.09805221      0.06530868
+H      5.10015393      2.69928150     -0.13626812
+H      6.43720873      1.50453921      0.43024544 
+
+14
+-1480.2898313908445 10.700765 11.8102 -9.4169 -7.2272 -9.801 0.8603 -0.2035 0.929 9.33686 -0.99922 5.3892870634 12.1980030506 0.544428279
+C      2.32615078      1.87513197     -0.72678687
+C      3.11550776      2.84300203     -1.21318915
+O      4.44725530      3.04625028     -0.97326029
+C      5.07425272      2.11159636     -0.09317921
+C      6.54462095      2.53124379      0.00666700
+C      7.29612599      1.64446654      0.88686093
+N      7.87896373      0.92330830      1.59383518
+H      1.28031207      1.86277695     -1.02588400
+H      2.66634380      1.09565851     -0.04773479
+H      2.74694267      3.61319786     -1.89340433
+H      4.98785725      1.08853241     -0.49694388
+H      4.59230269      2.13846509      0.89897322
+H      6.61366529      3.56085978      0.38906838
+H      7.00396902      2.51888012     -0.99332219 
+
+12
+-1360.0874253665886 11.036723 11.34659 -9.9955 -8.1123 -10.637 -1.3813 -3.1202 -1.74 10.16039 2.0781 3.270502708 4.9913415978 0.491248206
+C      3.29514466     -1.32879111      0.38794008
+C      2.51459477     -0.04533342      0.19452991
+O      1.28708287     -0.02689079      0.18169942
+C      3.24635659      1.23873170      0.01335587
+C      4.59208412      1.35864080      0.00662770
+C      5.25946729      2.60069296     -0.16866197
+N      5.83647549      3.60876707     -0.31050777
+H      3.93511044     -1.26997161      1.28061317
+H      3.94667559     -1.52721884     -0.47581212
+H      2.58822733     -2.15644421      0.50440000
+H      2.60612676      2.11348438     -0.11899955
+H      5.24077409      0.48892308      0.13824526 
+
+12
+-1357.7076979496962 10.311351 10.90741 -10.0907 -8.1248 -10.572 -1.0469 -2.7816 -1.402 10.12193 1.94358 3.398022309 5.2533364144 0.345327553
+C      0.98600198     -0.09087332     -0.28459030
+C      2.49863826     -0.07047163     -0.23725982
+O      3.17046126     -1.08028002     -0.37859789
+C      3.18651632      1.25967609     -0.00556010
+C      2.52981804      2.42648275      0.16467283
+C      4.62035495      1.22984030      0.02752645
+N      5.78785187      1.22966078      0.05724701
+H      0.60773127      0.55108153     -1.09314937
+H      0.55633238      0.27265154      0.65992119
+H      0.66005069     -1.12133990     -0.45780234
+H      1.44179485      2.46753741      0.14244184
+H      3.06741813      3.35972448      0.32923050 
+
+16
+-1639.57147853484 12.056072 12.19097 -8.2336 -6.3376 -8.815 0.6733 -0.8934 -0.481 8.31593 1.16921 3.5206816588 4.3999655736 0.383442628
+C      3.15568956     -1.22652170      0.35264643
+C      2.42873829      0.10957781      0.20544595
+O      1.19144340      0.12369430      0.19095161
+C      3.20360368      1.35378946      0.08561682
+C      2.45137597      2.65220252     -0.03961284
+C      4.56879159      1.33053373      0.09211396
+N      5.37020534      2.44133227      0.03665005
+H      3.75769084     -1.25734089      1.27269197
+H      3.82557970     -1.42398060     -0.49689777
+H      2.39952053     -2.01762323      0.39856927
+H      1.37478035      2.44185086     -0.03305566
+H      2.69021910      3.18075480     -0.97851728
+H      2.67194578      3.33667375      0.79612796
+H      5.11632970      0.39163475      0.18701193
+H      4.95380190      3.32981205     -0.22475829
+H      6.35031428      2.32959013     -0.19288411 
+
+10
+-1198.3693347695196 11.15734 11.72694 -10.4187 -8.5862 -10.665 -1.5048 -3.3041 -1.598 10.04414 2.04563 3.160899084 8.2808017652 0.559693653
+C      0.97499279     -0.00296005     -0.00476602
+C      2.48507871     -0.04379507      0.00595932
+O      3.13538171     -1.08204069      0.01672015
+C      3.18171205      1.23385259      0.00118367
+C      3.80479802      2.28660072     -0.00102489
+C      4.49804163      3.45911885     -0.00439521
+N      5.09095672      4.47307046     -0.00695056
+H      0.57882740      1.01826133      0.02314889
+H      0.60187267     -0.57173967      0.85809659
+H      0.61793830     -0.51190846     -0.91120196 
+
+14
+-1505.1182763824506 10.228779 11.65183 -9.9284 -7.8859 -11.012 0.7642 -1.1209 -0.177 10.06524 0.911 3.7376075644 11.6031306212 0.237296289
+C      1.31714366     -0.61766415     -0.08791937
+C      2.81285277     -0.46392865      0.08551850
+O      3.54290657     -1.40866409      0.34557162
+C      3.36624944      0.94793490     -0.08436794
+C      4.88733110      1.00467793      0.10989525
+C      5.40857114      2.35664936     -0.05386765
+N      5.80304754      3.44606849     -0.18924068
+H      0.78120152      0.02075220      0.63042412
+H      1.02912399     -1.66369429      0.05947965
+H      1.01307105     -0.28635872     -1.09226258
+H      2.85582294      1.61548552      0.62911492
+H      3.08544307      1.31963702     -1.08348467
+H      5.38721001      0.33639816     -0.60682288
+H      5.15684520      0.63318632      1.10966169 
+
+20
+-1892.485488412248 11.862585 13.22579 -9.2163 -6.908 -10.616 0.9024 -0.0853 3.061 9.97409 -2.78082 8.7908801692 10.5606687318 0.118181258
+C      0.79525460     -0.02048842     -0.18273882
+C      2.30887623     -0.20782689     -0.25817413
+O      2.70960084     -0.69661553     -1.55739400
+C      3.05919159      1.10178013     -0.02129582
+C      4.58880074      0.98087290     -0.06524640
+C      5.20612149      0.17828867      1.08439225
+N      4.89564824      0.78811406      2.39001978
+H      0.49591703      0.34247306      0.81164017
+H      0.26842743     -0.97106034     -0.36128661
+H      0.46091540      0.70599546     -0.93827178
+H      2.61231659     -0.94153678      0.51539617
+H      2.21519262     -1.51631821     -1.72748535
+H      2.75491504      1.49724550      0.95979607
+H      2.72950745      1.82241462     -0.78856242
+H      5.02304584      1.99654211     -0.05645269
+H      4.89206764      0.52212243     -1.01880451
+H      6.29220119      0.07078929      0.88961563
+H      4.79189330     -0.84311737      1.08947563
+H      5.37386988      1.69051069      2.46696597
+H      5.26752685      0.20712463      3.14448086 
+
+14
+-1481.4054809192492 10.47945 11.35288 -10.515 -8.2397 -10.102 1.0429 -0.6165 0.895 9.54166 -0.30418 5.3656429332 6.7375480232 0.337776018
+C      1.00346105     -0.01856653      0.20362846
+C      2.53211776     -0.03559848      0.00181254
+O      3.18801200     -0.71165201      1.09164662
+C      2.89045678     -0.81885261     -1.24564209
+C      3.41780602     -0.31696687     -2.36286306
+C      3.02257119      1.36144684     -0.07940189
+N      3.38920271      2.46852110     -0.10067191
+H      0.50625443      0.48552934     -0.63490460
+H      0.74296230      0.51014565      1.13165660
+H      0.64488162     -1.05400128      0.26794134
+H      2.92481878     -0.26901706      1.91951342
+H      2.65363746     -1.88280223     -1.15530134
+H      3.66880515      0.74153143     -2.45739185
+H      3.61692275     -0.95871731     -3.22121224 
+
+12
+-1318.6890340464145 10.120484 11.22422 -10.8934 -8.551 -10.294 0.8869 -0.8289 0.912 9.87428 -0.57693 4.3934315114 10.7024591214 0.400785666
+C      0.96337864     -0.01259286      0.00784496
+C      2.50754602     -0.03890995      0.02604071
+O      3.01083223     -0.68058195      1.21072909
+C      3.02289238     -0.78737843     -1.12791101
+C      3.40230129     -1.39629889     -2.10305532
+C      3.01668099      1.35982953     -0.03316528
+N      3.37718760      2.46886240     -0.01368616
+H      0.59467797      0.45226899     -0.91477683
+H      0.59087068      0.56280956      0.86610511
+H      0.60111558     -1.04544952      0.06865843
+H      2.70855614     -0.15498796      1.97528293
+H      3.75296049     -1.93849092     -2.95795663 
+
+18
+-1749.7401240200682 12.087414 13.13508 -9.3923 -7.1377 -9.369 1.121 -0.2651 1.214 8.83014 -0.58418 6.3701775052 6.3701775052 0.367515175
+C      4.04023404     -0.93158231     -0.95130163
+C      2.87596054     -0.25272710     -0.23605927
+O      2.48283882     -0.99360144      0.94510888
+C      3.09128280      1.19329674      0.12976051
+C      4.18227415      1.93267026     -0.11678272
+C      4.33895340      3.36961914      0.28966106
+N      5.58539966      3.55046701      1.05467346
+H      4.25180589     -0.45110555     -1.91745068
+H      3.78874293     -1.98415081     -1.13417164
+H      4.95655700     -0.89663928     -0.34244353
+H      1.98133954     -0.31433580     -0.88125737
+H      3.19149754     -0.86332914      1.60238709
+H      2.25034550      1.64609421      0.66981472
+H      5.04256705      1.50281475     -0.64053040
+H      3.42060451      3.70418784      0.81248305
+H      4.42937831      3.98758606     -0.62105063
+H      5.49707549      3.09068057      1.96460150
+H      5.73797282      4.54363483      1.24408761 
+
+14
+-1487.109750824693 11.327014 12.11674 -10.1789 -8.1076 -9.894 -0.0202 -1.7402 -0.268 9.40604 0.77768 5.0272975378 6.513480524 0.286393207
+C      0.85021277     -0.21378905     -0.12669548
+C      2.35134952     -0.01817083      0.08163828
+O      3.12854804     -0.77363594     -0.86710064
+C      2.73945930      1.43362911      0.01977793
+C      3.31983642      2.10251744      1.03362693
+C      3.68161290      3.47666871      0.95514789
+N      3.98486869      4.60637024      0.91891010
+H      0.27253598      0.29997182      0.65440388
+H      0.60767568     -1.28466152     -0.09909158
+H      0.53309580      0.19234557     -1.10046356
+H      2.64455626     -0.42797222      1.06132602
+H      2.78568331     -0.58135337     -1.75956173
+H      2.53627994      1.95636853     -0.92127566
+H      3.53958539      1.60222150      1.98123762 
+
+18
+-1748.8592902301077 11.681702 12.67152 -9.2729 -6.9907 -9.367 0.939 -0.1846 1.281 8.76428 -0.63894 6.4333731694 6.4333731694 0.379757667
+C      0.99834313     -0.08984463      0.00368976
+C      2.48698915      0.17976692     -0.18829375
+O      2.95479686     -0.37243159     -1.44532549
+C      2.91659212      1.63397925     -0.07209384
+C      2.06400591      2.66816271     -0.11533263
+C      4.41329114      1.82047635      0.06847051
+N      4.84555764      3.21157033     -0.11086166
+H      0.65811059      0.24000742      0.99554165
+H      0.81124157     -1.16733965     -0.09242926
+H      0.39374756      0.42792126     -0.75651210
+H      3.04637500     -0.40269205      0.56605390
+H      2.54783386      0.16587808     -2.14949936
+H      0.98598403      2.52649990     -0.19621127
+H      2.43957923      3.68974000     -0.04358618
+H      4.90581636      1.09751867     -0.61112574
+H      4.69315997      1.51191628      1.09235215
+H      4.75558516      3.47200626     -1.09699384
+H      5.83818072      3.29190446      0.11705713 
+
+14
+-1487.3388547344607 10.735571 11.42288 -10.2753 -8.1178 -9.931 0.0959 -1.6015 -0.218 9.41397 0.68994 5.024098699 6.5175596634 0.272243019
+C      1.06508020     -0.14503706      0.24111232
+C      2.51814649      0.04989352     -0.19201375
+O      2.80061263     -0.59791893     -1.42846165
+C      2.91195974      1.53292123     -0.23176090
+C      3.45956211      2.12806906     -1.30583668
+C      2.68708866      2.27305950      0.97215406
+N      2.48789870      2.83080039      1.98136375
+H      0.87683008      0.31060991      1.22230275
+H      0.83938099     -1.21735199      0.30244212
+H      0.38034138      0.32416949     -0.48317331
+H      3.18045245     -0.43911769      0.54356250
+H      2.05633725     -0.42056182     -2.03294838
+H      3.65753454      1.54449857     -2.20456744
+H      3.72850478      3.18310584     -1.29274538 
+
+20
+-1894.9210348301738 11.676596 12.77356 -9.2815 -7.1338 -10.551 0.7295 -0.2637 2.807 9.99969 -2.49382 8.5563482516 11.2779277418 0.091970594
+C      3.16776487     -1.15961943     -0.21263242
+C      2.67787202     -0.04907812      0.72294122
+O      2.99867141     -0.34950578      2.08648461
+C      3.16405908      1.36505319      0.30878739
+C      2.48040738      2.45189202      1.14921637
+C      4.69744866      1.50749159      0.33096383
+N      5.25600180      1.25577857      1.68127874
+H      2.87506308     -0.96815814     -1.25725270
+H      2.72982990     -2.11709342      0.09976578
+H      4.26186257     -1.26927095     -0.17197307
+H      1.57300004     -0.03346619      0.67736401
+H      3.92998837     -0.03640544      2.20199008
+H      2.86270351      1.50971513     -0.74508044
+H      2.66954263      2.30521561      2.22246948
+H      1.38964386      2.41990335      1.01225441
+H      2.82575050      3.45691702      0.86164896
+H      4.96833416      2.50530874     -0.06665901
+H      5.14456350      0.76623104     -0.34823225
+H      5.07307113      2.05579433      2.29209763
+H      6.27231154      1.16277687      1.62937739 
+
+20
+-1898.257926111999 11.694868 12.74315 -9.4442 -7.2776 -10.66 0.7519 -0.2227 2.666 9.96277 -2.3358 8.2858975898 10.613325586 0.086923637
+C      0.83865418     -0.06379108     -0.04229477
+C      2.35690187      0.04214096     -0.03203254
+O      2.85435696     -0.67823935     -1.15896890
+C      2.93792270      1.49436652     -0.03452311
+C      2.43992894      2.29947678     -1.24047011
+C      2.60233659      2.22108393      1.27679339
+N      4.40319387      1.29553979     -0.20688768
+H      0.39185996      0.42132986      0.83601380
+H      0.55197686     -1.12391791     -0.02617568
+H      0.41775405      0.38278927     -0.95387829
+H      2.73055770     -0.43157858      0.90489895
+H      3.77657405     -0.34455418     -1.24909745
+H      2.61551867      1.74846800     -2.17411583
+H      2.96394716      3.26634042     -1.29813019
+H      1.36608923      2.51257265     -1.15817852
+H      2.94911481      1.64250668      2.14783172
+H      1.52099726      2.38683131      1.39135399
+H      3.09430351      3.20514394      1.30513919
+H      4.82002800      0.99997352      0.68120925
+H      4.85151363      2.17935749     -0.45959725 
+
+16
+-1629.1022208080399 10.636164 11.91337 -10.6151 -8.4019 -11.649 0.6495 -0.398 1.527 11.20377 -1.12132 5.3761817432 12.317327177 0.143017051
+C      0.94772015     -0.09774776     -0.02926367
+C      2.47262608     -0.03719763     -0.02250628
+O      3.02940540     -0.74724287     -1.12996750
+C      3.00715723      1.42484200      0.02594418
+C      2.53279725      2.21770403      1.26011712
+C      4.47233073      1.43007795     -0.03275127
+N      5.63788389      1.47270638     -0.04278830
+H      0.51089635      0.30254412      0.89527110
+H      0.63063117     -1.14371155     -0.13036203
+H      0.53342384      0.47276694     -0.87693663
+H      2.86041551     -0.56581262      0.86388936
+H      2.62824380     -0.39948185     -1.94765933
+H      2.65056981      1.93856722     -0.88678402
+H      2.80245456      1.69093095      2.18616200
+H      1.44516776      2.35626588      1.23633263
+H      3.00404647      3.20790881      1.28522264 
+
+16
+-1593.550651934154 11.829855 13.42109 -9.4713 -7.2014 -9.441 0.7607 -0.2846 2.171 9.00237 -1.75846 4.175042571 10.7027442892 0.430817575
+C      0.96701854     -0.07248262      0.01811124
+C      2.49972262     -0.02801784     -0.03952407
+O      3.01121887     -0.76063590     -1.17282489
+C      2.99805396      1.34880031     -0.00838702
+C      3.38515467      2.50251465      0.00033030
+C      3.86987799      3.87884125     -0.00829243
+N      2.76325298      4.84822398     -0.13715315
+H      0.59990231      0.39903420      0.94013782
+H      0.63255926     -1.11769170     -0.01165991
+H      0.53402987      0.46565331     -0.83733797
+H      2.90466673     -0.56957840      0.83236424
+H      2.87219117     -0.20072095     -1.95845665
+H      4.64531608      3.96107778     -0.79820465
+H      4.38284116      4.07865171      0.94801860
+H      2.26507839      4.67456383     -1.01408701
+H      3.15419540      5.79117639     -0.20676447 
+
+12
+-1330.1391645846672 11.34848 12.25219 -10.6252 -8.4507 -10.096 0.0863 -1.7341 -0.009 9.64821 0.34241 3.5962883216 10.5292878752 1.150774849
+C      0.97631953     -0.03267708     -0.00134325
+C      2.50933317      0.00901772     -0.03297780
+O      3.05931044     -0.70293556     -1.15068687
+C      3.00738700      1.38481928      0.01277803
+C      3.40814408      2.53811368      0.00526500
+C      3.85822820      3.82548647     -0.00265351
+N      4.24165002      4.93566553     -0.01205912
+H      0.59186069      0.44227067      0.91137572
+H      0.64893540     -1.07959198     -0.02705391
+H      0.55562363      0.49669805     -0.86774441
+H      2.90285771     -0.52321721      0.84966959
+H      2.80332013     -0.22626957     -1.96230948 
+
+16
+-1631.567448401629 10.624431 11.95623 -10.5566 -8.342 -11.752 0.6566 -0.3994 1.494 11.3214 -1.11138 5.3759833656 11.7232110622 0.156907327
+C      0.96099583     -0.34796241     -0.04422942
+C      2.45826883     -0.05927323     -0.05536010
+O      3.10715706     -0.66012845     -1.19195491
+C      2.75650524      1.44501201      0.01046923
+C      4.26414238      1.75330912      0.09460603
+C      4.84476977      1.36684023      1.37789280
+N      5.28809664      1.05983484      2.41253792
+H      0.49267653      0.02634724      0.87741004
+H      0.78160290     -1.42922147     -0.10896291
+H      0.45928715      0.14033986     -0.89626355
+H      2.92903314     -0.55076491      0.81256619
+H      2.58534526     -0.43070638     -1.98281361
+H      2.23750306      1.88930076      0.87386595
+H      2.35408928      1.93134582     -0.89429814
+H      4.45062699      2.82749772     -0.05418544
+H      4.79296994      1.20970925     -0.70394008 
+
+14
+-1477.3728235107144 10.507733 11.3757 -9.4724 -7.3047 -9.812 0.8838 -0.2408 0.92 9.35189 -0.8915 5.371197506 6.4669485782 0.331934696
+C      1.03046736     -0.01199338      0.54179088
+C      2.45646604     -0.13352803      0.01181538
+O      2.37888134     -0.69416182     -1.30770542
+C      3.54075736     -1.18942486     -1.84848992
+C      4.77926191     -1.15601331     -1.34202940
+C      3.12994670      1.18101542     -0.00072166
+N      3.63182613      2.23335934      0.01776081
+H      1.03827231      0.42151654      1.54927797
+H      0.57501657     -1.00885394      0.58147427
+H      0.43489527      0.63144778     -0.11692495
+H      3.05037356     -0.80827147      0.65601412
+H      3.31330161     -1.64761569     -2.81246094
+H      5.04861050     -0.67284628     -0.40490275
+H      5.58099334     -1.61403030     -1.91729840 
+
+18
+-1745.6632479484113 12.227467 13.37569 -8.5292 -6.47 -9.035 0.9726 0.0089 1.281 8.5699 -0.71606 6.1015866334 6.1015866334 0.319340592
+C      0.75639210      1.92728380      0.59683170
+C      2.15940187      2.48614010      0.47231455
+O      3.04905431      1.39473141      0.17470348
+C      4.36674411      1.70980409      0.02315401
+C      4.96123117      2.91198528      0.12440221
+C      6.43797179      3.08255779     -0.07673883
+N      6.70341143      4.02440484     -1.18230877
+H      0.05093018      2.73867624      0.82300148
+H      0.70060204      1.18509472      1.40463891
+H      0.44216115      1.44693841     -0.33970114
+H      2.48506598      2.97052700      1.41030829
+H      2.22397135      3.23491866     -0.33717263
+H      4.94078552      0.80561262     -0.19958810
+H      4.39075956      3.81941758      0.33031055
+H      6.90349200      2.08359097     -0.20494132
+H      6.88781493      3.52353131      0.83012500
+H      6.36885639      3.61686945     -2.05966024
+H      7.71155413      4.16380573     -1.28762916 
+
+14
+-1486.3766323455466 11.322381 12.14897 -9.3615 -7.3198 -9.606 0.6918 -1.0002 -0.255 9.14183 0.74405 4.951876854 10.9443930032 0.330674001
+C      0.26687634     -0.38374075      0.35644424
+C      1.72561783     -0.20645371     -0.00666711
+O      1.86054245      1.05413403     -0.71041980
+C      3.08831675      1.40383818     -1.12427468
+C      4.24513780      0.71202211     -0.96390447
+C      5.46717123      1.22480745     -1.46486876
+N      6.49161219      1.62352572     -1.87033007
+H      0.13536925     -1.33495815      0.88953906
+H     -0.36223504     -0.40219695     -0.54314935
+H     -0.07695870      0.42878921      1.00981854
+H      2.08104844     -1.01565376     -0.66672617
+H      2.36687160     -0.17706566      0.89039553
+H      3.06989603      2.36604218     -1.63975188
+H      4.28813382     -0.24947989     -0.45320506 
+
+18
+-1748.5326724822228 11.978655 12.91365 -8.7241 -6.659 -9.193 0.861 -0.0698 1.25 8.61324 -0.67452 6.2168936134 6.2168936134 0.345888051
+C      2.81162843      1.92238905      0.69672271
+C      4.15863816      1.57055313      0.09767321
+O      4.88903636      2.79049770     -0.11173782
+C      6.12826922      2.68728347     -0.68921738
+C      6.73688217      1.54186802     -1.05215821
+C      6.72508239      4.06147261     -0.89023408
+N      5.99110045      4.94651691     -1.80895503
+H      2.23091145      1.00537020      0.86753604
+H      2.23866753      2.57158227      0.02057357
+H      2.93124759      2.43910584      1.65848887
+H      4.04335618      1.04825100     -0.86895294
+H      4.73791154      0.91428072      0.77173517
+H      6.30168671      0.55428952     -0.91456170
+H      7.72583871      1.59524774     -1.50373778
+H      7.75466571      3.94603685     -1.25776710
+H      6.78465581      4.56889730      0.08679588
+H      5.89909329      4.48078029     -2.71688464
+H      5.03643827      5.06658740     -1.45957877 
+
+14
+-1478.54753621495 11.076443 11.73288 -9.2791 -7.2441 -9.712 0.3351 -1.4246 -0.249 9.23956 0.66472 5.0343771384 5.2692686154 0.251833508
+C      0.95345901     -0.07980464     -1.15253621
+C      1.97050618     -0.20720025     -0.03918182
+O      1.62270749      0.77339323      0.97500904
+C      2.41147295      0.85521181      2.08703061
+C      2.17380816      1.77132059      3.04695080
+C      3.50815444     -0.06581196      2.22192466
+N      4.39759806     -0.81866671      2.32221385
+H      1.18165853     -0.80726787     -1.94311683
+H      0.97601534      0.92684949     -1.59076226
+H     -0.06081564     -0.27824792     -0.78135803
+H      2.99130958     -0.00599219     -0.40192567
+H      1.95275579     -1.21368374      0.40884414
+H      1.34501667      2.46990562      2.94751243
+H      2.80988346      1.81266455      3.92611529 
+
+20
+-1886.6663279403888 11.995767 13.34922 -9.1456 -6.8444 -10.511 0.9798 0.0681 3.117 9.85747 -2.82287 8.664637624 11.7528933106 0.121599448
+C      3.22608115      0.39759313     -2.96522802
+C      3.94570771      0.44303489     -1.62936438
+O      4.80529631      1.58322193     -1.61752106
+C      5.45456893      1.82190048     -0.35315220
+C      6.65581130      0.90055982     -0.14520835
+C      5.85380430      3.29494905     -0.35652837
+N      4.65988021      4.14567126     -0.42620240
+H      2.56184012     -0.47711665     -3.00816071
+H      3.94662521      0.32621973     -3.79183224
+H      2.61900183      1.30186402     -3.11232650
+H      4.52695907     -0.48755117     -1.48018794
+H      3.21878267      0.51694407     -0.79599505
+H      4.71186387      1.66979152      0.45555114
+H      7.40817265      1.06526917     -0.93039668
+H      6.36112483     -0.15740282     -0.16782656
+H      7.12210885      1.09257454      0.83231441
+H      6.57434866      3.44610281     -1.18744658
+H      6.38680771      3.51057104      0.58323142
+H      4.16702050      3.92607360     -1.29654452
+H      4.93583412      5.12796958     -0.48834540 
+
+16
+-1620.7368795426387 10.78217 12.15387 -10.443 -8.2971 -11.877 0.88 -0.2353 1.333 11.6815 -0.93242 5.3861626162 12.5771150428 0.197448263
+C      1.33986925     -0.70137211      0.65097496
+C      2.51048354     -0.06254849     -0.06829448
+O      3.65450314     -0.11323261      0.80408802
+C      4.81427865      0.49595143      0.25445337
+C      5.88123378      0.56565405      1.34442293
+C      5.30918472     -0.25447799     -0.92549990
+N      5.68699216     -0.85179526     -1.85358151
+H      0.44929159     -0.67642797      0.00825066
+H      1.11131785     -0.16562790      1.58229804
+H      1.56021969     -1.74906964      0.89576007
+H      2.29303640      0.99342823     -0.32246584
+H      2.73535686     -0.59826206     -1.00846563
+H      4.57380381      1.51937969     -0.10157958
+H      6.12707079     -0.44383998      1.69628766
+H      5.49375565      1.15423544      2.18496418
+H      6.79200213      1.04079516      0.95950705 
+
+20
+-1886.9177506032786 12.123666 13.56831 -9.0807 -6.9017 -10.382 0.9219 -0.0286 3.082 9.73486 -2.82601 8.4355238946 12.0976611808 0.095472142
+C      1.65914057      1.51319314     -0.91312512
+C      3.06056144      1.12554301     -0.47994987
+O      3.78432917      2.30931138     -0.14742148
+C      5.12193997      2.03487963      0.25939767
+C      5.82984012      3.36201153      0.55222999
+C      7.25874634      3.11382427      1.03080422
+N      5.83885226      4.29783618     -0.58191481
+H      1.07967303      0.61495075     -1.16812431
+H      1.69090560      2.16682570     -1.79587576
+H      1.13671560      2.04563819     -0.10643894
+H      3.58572839      0.58123422     -1.29130876
+H      3.02555641      0.44921351      0.39835710
+H      5.66144288      1.48932720     -0.54536916
+H      5.12000877      1.38870250      1.16202801
+H      5.26522459      3.85625198      1.36290916
+H      7.85323656      2.61263587      0.24915944
+H      7.27902322      2.47882943      1.92783292
+H      7.74699650      4.06863462      1.26569941
+H      4.88484263      4.36966534     -0.94760931
+H      6.40078596      3.89864158     -1.34197043 
+
+16
+-1621.9396756303586 10.962385 12.61 -10.2335 -8.0125 -11.847 0.8248 -0.1744 1.409 11.43898 -1.05654 5.3863609938 11.7392920464 0.341289307
+C      0.93609038     -0.04939641      0.07560254
+C      2.44912950     -0.13509883      0.03670829
+O      2.98252461      1.19407949      0.01027650
+C      4.39891974      1.19997853     -0.03023670
+C      4.83820175      2.66932189     -0.05322216
+C      6.28852442      2.80547221     -0.09815404
+N      7.45106044      2.89190265     -0.13467924
+H      0.50340471     -1.05899868      0.09746794
+H      0.55264472      0.47297644     -0.81138866
+H      0.59953782      0.49141670      0.97055330
+H      2.78948642     -0.68859466     -0.86054070
+H      2.83640844     -0.67181506      0.92510691
+H      4.77372970      0.67806121     -0.93190184
+H      4.82495883      0.69073072      0.85578158
+H      4.45427203      3.18200885      0.84178787
+H      4.40061651      3.17018496     -0.93012160 
+
+20
+-1878.829268221548 12.249519 13.71371 -8.6222 -6.4283 -9.976 0.9974 0.0876 3.301 9.24988 -3.08447 8.1615272332 12.1251860728 0.137649317
+C      1.96678810      3.11285750     -1.78887541
+C      2.80433777      1.95264987     -1.28487878
+O      3.96116343      2.46898136     -0.62868598
+C      4.79985216      1.43387245     -0.11469922
+C      5.95837774      2.07680211      0.62444832
+N      5.48860582      2.81764018      1.79146469
+C      6.56049112      3.54702637      2.46171294
+H      1.07340993      2.73748890     -2.30715481
+H      2.54202942      3.73076334     -2.49214775
+H      1.64087348      3.74931691     -0.95443418
+H      3.11305192      1.29924137     -2.12628894
+H      2.22234345      1.32614238     -0.57917290
+H      5.18121955      0.80397005     -0.94307364
+H      4.22327894      0.78911157      0.57757753
+H      6.53227975      2.70931584     -0.08979971
+H      6.63943022      1.27709366      0.96349686
+H      4.77153345      3.47508121      1.47471891
+H      7.13880069      4.22147304      1.79391653
+H      7.27167847      2.83197238      2.90527648
+H      6.14209459      4.14823953      3.28083908 
+
+15
+-1519.6679710453382 11.844267 11.59303 -8.1284 -6.3332 -8.939 0.8186 -0.7439 -0.423 8.71963 1.10629 3.5834557706 4.455932854 0.419502199
+C      3.26766574     -1.44865742      0.44407801
+C      2.58375240     -0.09030204      0.27399999
+O      1.34602183     -0.04122944      0.32975460
+C      3.35330194      1.12004794      0.04906441
+C      4.71307003      1.32392928     -0.02232823
+N      5.71145866      0.42355882      0.31291399
+N      5.23400901      2.54215933     -0.45349336
+H      3.81779105     -1.49984354      1.39782394
+H      3.96121509     -1.66902774     -0.38273599
+H      2.48872491     -2.21922812      0.46273409
+H      2.72466228      2.00286482     -0.08448920
+H      5.40556242     -0.52687450      0.49352716
+H      6.53793620      0.46903147     -0.28023001
+H      4.53336878      3.26810054     -0.58009368
+H      6.03740967      2.87193059      0.08047427 
+
+15
+-1518.6656595476347 10.550544 11.10921 -9.2541 -7.2807 -10.209 0.791 -0.9872 -0.166 9.78754 0.72778 3.7028170928 6.1510942432 0.146967388
+C      3.24935054     -0.68718880      1.89491595
+C      3.05138398     -0.33465338      0.43833060
+O      2.61945881     -1.12904710     -0.38225019
+C      3.44375627      1.08861602      0.01735472
+C      4.96614515      1.20823289     -0.05318361
+N      5.54542100      1.89890987      1.00288054
+N      5.71489937      0.65088645     -0.93662633
+H      4.25140610     -0.38502071      2.23279683
+H      3.09896071     -1.76134757      2.04567927
+H      2.52432351     -0.12874631      2.50799843
+H      3.02503576      1.81240211      0.73406751
+H      3.01541204      1.27562267     -0.97462967
+H      5.02436977      2.68246495      1.38487597
+H      6.53969909      2.07870656      0.87072278
+H      5.15269790      0.08769235     -1.58470280 
+
+17
+-1619.6766590708894 11.442405 12.01552 -8.5239 -6.5376 -9.135 0.759 -0.2791 0.82 8.65404 -0.16199 4.9048117684 5.6016750814 0.173325347
+C      1.87593461     -0.36520045      1.31866371
+C      2.42602632      0.10759691     -0.02700756
+O      1.42371613      0.01054542     -1.06419731
+C      3.02013436      1.50132132      0.03507422
+C      2.12922863      2.69060915      0.27586906
+N      4.30024391      1.58036570     -0.12370870
+N      4.89581495      2.81908016      0.00287096
+H      2.66694879     -0.36478961      2.08171360
+H      1.47702121     -1.38513209      1.22547167
+H      1.06552803      0.29175585      1.67546640
+H      3.23814082     -0.56126038     -0.34744158
+H      0.57740376      0.31223009     -0.68841370
+H      1.08276259      2.39752729      0.42843635
+H      2.14404750      3.38661728     -0.58076777
+H      2.45888484      3.25654066      1.16269058
+H      5.79221369      2.80994200     -0.47968720
+H      4.32478986      3.61951069     -0.29200272 
+
+17
+-1618.631547938399 11.380707 11.86647 -8.9438 -6.8826 -9.478 1.2407 -0.4139 0.559 9.04076 0.0501 4.7854132504 5.638139364 0.198037921
+C      3.95668000     -1.23085492     -1.14738978
+C      3.27447235     -0.45165558     -0.01785668
+O      3.72025429     -0.88419355      1.27213135
+C      3.40774415      1.07673759     -0.17861802
+C      4.79580635      1.63643291     -0.02366754
+N      5.70993615      1.01458897      0.63240000
+N      6.97847972      1.55287802      0.68381842
+H      3.51865911     -0.97709783     -2.12508679
+H      3.82397223     -2.30774892     -0.97808655
+H      5.03433693     -1.01804410     -1.18427916
+H      2.19612969     -0.68507842     -0.03951442
+H      4.63226942     -0.52730043      1.35236308
+H      2.75027279      1.56559297      0.56371535
+H      3.01853884      1.37558141     -1.16655274
+H      5.00322278      2.62633965     -0.47371405
+H      7.43952840      1.26412764      1.54473708
+H      7.00784683      2.57460460      0.57236045 
+
+17
+-1646.8964231410275 10.905977 11.58275 -9.0779 -7.1427 -9.943 0.7129 -0.3802 0.91 9.19222 -0.31238 4.8682978914 6.3138506654 0.189133495
+C      4.60895186     -1.29725321     -0.67181239
+C      3.39960363     -0.51893652     -0.15533594
+O      2.97903776     -0.99190913      1.12870281
+C      3.61008727      1.02065226     -0.14739294
+C      4.65179205      1.45406903      0.86707924
+N      5.93922211      1.60250940      0.37822588
+N      4.44646568      1.57435403      2.13799056
+H      4.85807315     -1.00602785     -1.70370012
+H      4.38507260     -2.37209811     -0.66042921
+H      5.49573587     -1.11604697     -0.04637566
+H      2.53817719     -0.71805804     -0.81342156
+H      3.69570098     -0.78225922      1.76043193
+H      2.65291810      1.49249026      0.11515220
+H      3.87539645      1.34844772     -1.16564086
+H      6.04765717      1.87832799     -0.59166841
+H      6.58977791      2.03721134      1.02939223
+H      3.45599021      1.40306704      2.34393224 
+
+15
+-1475.7430361055704 11.869883 11.88208 -8.0025 -6.0948 -8.942 1.5311 -0.1013 0.71 8.47528 -0.11754 5.247397485 6.2874044516 0.289970017
+C      0.86908896      0.07093686     -0.02242524
+C      2.35162883      0.25044766     -0.01713087
+O      3.20415047     -0.85372037      0.05037065
+C      2.71602640     -2.13863392      0.09164392
+C      3.54189118     -3.18848882      0.13824064
+N      2.87421576      1.42104183     -0.07508754
+N      4.25040280      1.53115709      0.01910323
+H      0.41961751      1.06763163     -0.07437084
+H      0.50796762     -0.42691685      0.89123856
+H      0.52233479     -0.51518623     -0.88767101
+H      1.63037197     -2.24219144      0.08625228
+H      4.62442415     -3.06758054      0.14743636
+H      3.12373739     -4.19177823      0.17295589
+H      4.54325438      2.38366486     -0.45358723
+H      4.76424778      0.71169646     -0.31985879 
+
+17
+-1620.548025150222 11.374399 12.30867 -8.1008 -6.0873 -9.305 0.8802 -0.0791 0.852 8.85236 -0.24634 5.0318850198 12.7574898756 0.246882897
+C      1.42558546      0.05273259      0.06120232
+C      2.45453324      1.16278832      0.13481611
+O      3.75900046      0.55719104     -0.01748791
+C      4.82717870      1.41031729      0.01597826
+C      6.13934004      0.70044886     -0.12698717
+N      4.64480137      2.67353290      0.16282585
+N      5.80848509      3.46650339      0.24745344
+H      0.41770618      0.47343543      0.18223761
+H      1.58668167     -0.68803532      0.85653623
+H      1.46879455     -0.46354498     -0.90774538
+H      2.42031317      1.69744417      1.09745669
+H      2.31440444      1.91363410     -0.65952355
+H      6.00224846     -0.38066364     -0.01788615
+H      6.84335371      1.06176602      0.63735925
+H      6.59256815      0.88980843     -1.11388765
+H      5.51601741      4.42749487      0.06860252
+H      6.50725791      3.21580654     -0.46349047 
+
+17
+-1607.1741315542147 11.777642 12.33787 -8.8734 -6.8069 -9.387 1.2391 -0.3426 0.643 8.94909 -0.07844 4.9071675024 5.6415985734 0.16927991
+C      0.71503501      2.01476894      0.21632085
+C      2.15532481      2.14597485      0.67362668
+O      2.99954545      1.56603618     -0.32782659
+C      4.38733195      1.59696430      0.02901569
+C      4.98534171      2.97038269     -0.04372568
+N      5.51978614      3.50363091      0.99853282
+N      6.14259543      4.71572930      0.86379657
+H      0.03829223      2.44093506      0.97026904
+H      0.44845313      0.95926363      0.06687683
+H      0.55738879      2.54776436     -0.73171298
+H      2.31281963      1.62090906      1.63705778
+H      2.42100866      3.20790313      0.83408789
+H      4.87716241      0.93018696     -0.69895328
+H      4.55077094      1.19018069      1.04414154
+H      4.94825570      3.49531285     -1.01675074
+H      6.15134938      5.21551970      1.75000945
+H      5.81931863      5.30069741      0.08277414 
+
+17
+-1637.5297815903393 11.33984 12.30476 -8.8549 -6.8198 -9.777 0.842 -0.1312 1.104 9.02259 -0.50934 4.9261001646 6.312437225 0.202181792
+C      2.25092859      3.51743041     -1.76309499
+C      3.14910876      2.54825464     -1.02000409
+O      4.47217012      3.09167708     -0.97031871
+C      5.37702839      2.25270338     -0.26070016
+C      6.73429705      2.92765314     -0.11284153
+N      6.67592512      4.30135128     -0.09237044
+N      7.84683913      2.30480107      0.07498158
+H      1.23162254      3.11201975     -1.82682576
+H      2.62051323      3.68573907     -2.78398675
+H      2.20574453      4.48495447     -1.24414074
+H      3.17233827      1.56487026     -1.52990798
+H      2.78072080      2.37917510      0.01142798
+H      5.51185087      1.28837556     -0.78559833
+H      4.98115671      2.03636966      0.75249432
+H      5.88351301      4.72242793     -0.56940210
+H      7.57285511      4.77140600     -0.18022443
+H      7.69241780      1.28991118      0.06917213 
+
+14
+-1419.4599207871381 10.263485 10.76338 -9.5213 -7.5772 -10.969 -0.1016 -1.9005 -1.33 9.94543 1.69432 3.26765103 5.6032249064 0.272133619
+C      1.63435003     -0.46912850     -1.00606696
+C      1.63794193      0.68890072     -0.03436215
+O      0.69912404      0.90067062      0.72794050
+C      2.82372698      1.61685929     -0.01682839
+C      2.82465375      2.80067540      0.89554560
+N      3.78088448      1.29314861     -0.82749907
+O      4.84534893      2.20431408     -0.75479100
+H      1.53703366     -0.08842238     -2.03360927
+H      0.78407356     -1.11949024     -0.77607529
+H      2.57779804     -1.02807481     -0.96783581
+H      1.90374131      2.80749207      1.48731036
+H      2.90150555      3.73077017      0.31373498
+H      3.69983179      2.77071677      1.55996045
+H      5.47521596      1.83246820     -1.39947397 
+
+14
+-1413.4083671822884 10.270767 11.11344 -9.4154 -7.3565 -10.683 1.0641 -0.8073 -0.083 9.96597 0.82124 3.7283086144 6.5611779382 0.189484722
+C      1.05695844     -0.52637444      0.34475176
+C      2.51770639     -0.75434005      0.01780970
+O      2.94011617     -1.82802132     -0.38000434
+C      3.43229167      0.46260546      0.20149284
+C      4.88763972      0.12865432      0.23084959
+N      5.60894174      0.62279538      1.16820563
+O      6.95895133      0.21585471      1.04105877
+H      0.94142384     -0.46709984      1.43853284
+H      0.45207441     -1.35702833     -0.03445052
+H      0.69955262      0.42925609     -0.06508970
+H      3.15223420      1.02738594      1.10315967
+H      3.21323881      1.12930987     -0.65539720
+H      5.30699996     -0.53413550     -0.53583813
+H      7.37140069      0.65023771      1.80921911 
+
+14
+-1469.4744829990877 9.767645 10.58545 -9.4502 -7.4611 -10.853 0.6263 -1.2193 -0.393 10.18326 1.13489 3.7352890262 8.1060434982 0.16831071
+C      2.20837794     -1.62750658     -0.06020303
+C      2.99865533     -0.47935790     -0.63941202
+O      3.19892851     -0.38249743     -1.84743016
+C      3.51509629      0.54960379      0.35819044
+C      4.89621510      1.17943459      0.09547637
+N      5.14366496      1.49656078     -1.20750610
+O      5.65738960      1.41819909      1.02919813
+H      2.87593379     -2.25320293      0.55254689
+H      1.76998249     -2.23104626     -0.86182981
+H      1.42246590     -1.25611447      0.61410188
+H      3.52779768      0.14963273      1.37931956
+H      2.78176816      1.37554758      0.34971464
+H      4.57429271      1.03129965     -1.91958388
+H      6.08730156      1.79913736     -1.43220292 
+
+16
+-1543.001596046253 10.579236 11.35666 -9.4486 -7.3762 -10.429 0.8762 -0.2459 0.531 9.83201 0.14964 5.5398928576 6.4528389714 0.190362439
+C      0.99928541     -0.16695010     -0.19916124
+C      2.48367230      0.07460974      0.07452835
+O      3.31941571     -0.75310001     -0.75695495
+C      2.86772269      1.53784075     -0.05704168
+C      2.83008128      2.22744463     -1.38928193
+N      3.22617446      2.10342168      1.04313533
+O      3.56302759      3.47175007      0.83543642
+H      0.37610579      0.40540001      0.50224818
+H      0.77066414     -1.23514656     -0.08338211
+H      0.72238325      0.13637439     -1.22156200
+H      2.72188857     -0.22645897      1.10484126
+H      3.00975812     -0.66294176     -1.67642660
+H      2.41203531      1.58443124     -2.17421817
+H      3.84373902      2.53096387     -1.68918115
+H      2.23197944      3.14791211     -1.32869310
+H      3.81102692      3.74463892      1.73625336 
+
+16
+-1540.5503181464796 10.845996 11.75047 -9.4588 -7.3565 -10.606 1.2698 -0.2613 0.48 10.12192 0.12263 5.5200674962 6.6035811502 0.182459332
+C      0.88808717     -0.39507980      0.05327375
+C      2.38880680     -0.12977763     -0.01505943
+O      3.04259358     -1.02183192     -0.93509274
+C      2.69513172      1.34398384     -0.35174076
+C      4.15599940      1.66045572     -0.31470943
+N      4.57089888      2.61296264      0.43710083
+O      5.98133681      2.75548602      0.34526373
+H      0.41224692      0.21317481      0.83601192
+H      0.70028506     -1.45441555      0.27331350
+H      0.40180966     -0.14713242     -0.90465379
+H      2.84645958     -0.36849144      0.95873953
+H      2.57528490     -0.95612380     -1.78826020
+H      2.16914203      2.01031838      0.34843050
+H      2.29776800      1.55220454     -1.36345382
+H      4.85322854      1.06408397     -0.91818022
+H      6.14485095      3.49592264      0.95658665 
+
+16
+-1595.8651213740513 10.21874 11.24553 -9.2065 -7.1838 -10.702 0.7093 -0.3643 0.59 9.62774 0.05548 4.3684235352 6.743970498 0.145333244
+C      1.20149345     -1.13054729      0.27096313
+C      2.24386284     -0.34150593     -0.51338929
+O      2.41336731     -0.89841878     -1.84280307
+C      1.92036622      1.15930867     -0.55506142
+C      2.98680627      2.09704523     -1.13804618
+N      3.71884103      1.58150514     -2.16852409
+O      3.13936326      3.23917343     -0.70560319
+H      1.14808544     -0.78411593      1.31275588
+H      1.45326119     -2.19955347      0.27210548
+H      0.19994221     -1.00760638     -0.17271329
+H      3.23264612     -0.48235508     -0.04750590
+H      1.53110018     -0.93645039     -2.25695710
+H      1.72509889      1.52704350      0.46191225
+H      0.98696644      1.31552084     -1.12553784
+H      3.55802870      0.62455038     -2.48277511
+H      4.43953045      2.16341605     -2.58294026 
+
+14
+-1395.129729876127 11.082624 11.28826 -8.5938 -6.5901 -9.592 1.473 -0.2011 0.437 9.14737 0.20564 5.7266901652 6.5265114526 0.302280154
+C      0.68008045      0.46269247      0.71760914
+C      1.77963673      1.28252512      0.12238707
+O      2.48321544      0.85972650     -0.97728809
+C      2.18876435     -0.33749608     -1.59348186
+C      2.89985821     -0.74912153     -2.64609420
+N      2.05808319      2.41300009      0.67613484
+O      3.11322361      3.08860399      0.01584004
+H      0.29476228      1.00320268      1.58807529
+H      1.03918067     -0.52402998      1.04653285
+H     -0.14617616      0.30919999      0.00707951
+H      1.35703316     -0.90803147     -1.17882662
+H      3.72530766     -0.15942755     -3.04239858
+H      2.64846808     -1.69462317     -3.12060398
+H      3.18145232      3.89400894      0.55788459 
+
+16
+-1543.3441665961395 10.601894 11.6751 -8.6847 -6.6607 -10.282 0.9662 0.0299 0.585 9.68996 0.03717 5.6493972928 12.7613706374 0.232688188
+C      1.62532903     -0.74268691      0.29595866
+C      3.04776711     -0.42289384     -0.11408551
+O      3.36078087      0.89880860      0.39465380
+C      4.60132231      1.37833976      0.11494575
+C      4.85556932      2.74817800      0.65758381
+N      5.42196842      0.65216109     -0.56619378
+O      6.65742182      1.35774821     -0.74738460
+H      1.35205595     -1.74147674     -0.07158622
+H      0.91890199     -0.01537865     -0.12712347
+H      1.51806695     -0.73744302      1.38934687
+H      3.17565500     -0.41971580     -1.20815316
+H      3.77253743     -1.14149169      0.30047513
+H      4.01547317      3.06678654      1.28338893
+H      4.99108898      3.46288005     -0.16653406
+H      5.78494519      2.75531910      1.24241212
+H      7.16952646      0.70203529     -1.25040426 
+
+16
+-1529.6125363667545 10.820979 11.63492 -9.7681 -7.6544 -10.853 1.2906 -0.5334 0.312 10.39777 0.26893 5.4668403064 6.6568579344 0.189761051
+C      1.29041229     -0.69106455      0.48602713
+C      2.78191120     -0.62402775      0.22194231
+O      3.17737391      0.75609199      0.23049005
+C      4.57065226      0.93639985     -0.02807860
+C      5.42626336      0.53894726      1.13988947
+N      6.32456616     -0.36193874      0.98040305
+O      7.03569691     -0.59616958      2.18154817
+H      0.95194354     -1.73646675      0.46833685
+H      0.73310156     -0.13232747     -0.27837308
+H      1.04972463     -0.26601040      1.47014204
+H      3.03028329     -1.06921905     -0.76193910
+H      3.34208667     -1.18897550      0.98980742
+H      4.69106278      2.01375578     -0.22354946
+H      4.89380006      0.37820511     -0.92601371
+H      5.25709607      1.01970204      2.11351588
+H      7.66638533     -1.28773224      1.91019159 
+
+16
+-1586.0653011557238 10.415901 11.56727 -9.4311 -7.3859 -10.731 0.8225 -0.1421 0.614 9.67368 0.01728 4.403920727 12.5485114726 0.306937724
+C      2.31089319     -1.11831770      0.77983841
+C      3.76945059     -0.91525357      0.41933047
+O      3.98152066      0.46859983      0.11798797
+C      5.33000289      0.74809676     -0.23712913
+C      5.54329454      2.23483787     -0.52213488
+N      4.43859633      3.01278376     -0.35827358
+O      6.64733887      2.65105643     -0.86663963
+H      2.12588993     -2.17478587      1.01818350
+H      1.65906739     -0.83432673     -0.05782139
+H      2.03804762     -0.51423916      1.65617336
+H      4.04793698     -1.53080985     -0.45851123
+H      4.42873962     -1.21477985      1.25773302
+H      5.63246748      0.18992057     -1.14315978
+H      6.02618426      0.46491086      0.57517933
+H      3.56010481      2.58832101     -0.07735289
+H      4.50812485      4.00905563     -0.53303356 
+
+16
+-1609.157914047516 10.737936 11.82671 -9.2433 -7.1666 -10.498 1.1975 -0.6118 0.343 9.56513 0.38133 3.7431125428 8.0597471258 0.124163035
+C      3.39161354     -1.74908548      0.46022463
+C      2.66333791     -0.47712486      0.10167603
+O      1.63351800     -0.46711052     -0.55729553
+C      3.23165929      0.84336753      0.63347645
+N      4.65569148      0.78985896      0.95233583
+C      5.55529951      1.21133373     -0.13287785
+C      5.31864233      2.09545522      1.04531823
+H      4.39806702     -1.74145623      0.01627644
+H      2.82406252     -2.61405245      0.10090286
+H      3.54742675     -1.80513595      1.54749572
+H      2.67947650      1.05842120      1.56645076
+H      2.96085271      1.63777805     -0.09085970
+H      5.10085716      1.51501027     -1.08181309
+H      6.48665592      0.64741088     -0.21917846
+H      6.07409600      2.18481567      1.82856288
+H      4.70934337      2.99001398      0.87959479 
+
+18
+-1739.6180937748568 11.338834 12.58465 -9.3845 -7.273 -10.693 0.903 0.0124 3.135 9.9692 -3.16524 8.712186255 10.7502185286 0.158415858
+C      0.46925692     -0.29389897     -0.43307052
+C      1.94947855     -0.30250431     -0.77878912
+O      2.21548726      0.80007028     -1.65223138
+C      2.84226926     -0.19971619      0.46142410
+N      4.23817765     -0.06679347      0.03108326
+C      5.25905315     -0.30034554      1.05524998
+C      5.02044275     -1.31032279     -0.01789673
+H      0.20771660     -1.15890181      0.19340820
+H     -0.13128393     -0.33844933     -1.35136553
+H      0.20498763      0.62852939      0.10464155
+H      2.19336556     -1.25357834     -1.29888737
+H      3.18445477      0.93431168     -1.59481446
+H      2.68446683     -1.07536674      1.12578141
+H      2.57521390      0.71277362      1.02033686
+H      4.91428547     -0.55457308      2.06277975
+H      6.13196994      0.35445617      1.01228070
+H      5.71693994     -1.39990191     -0.85374171
+H      4.51495773     -2.23738866      0.27193103 
+
+18
+-1750.02290918023 11.758524 12.6421 -9.2003 -6.9303 -9.583 0.9608 -0.1217 1.262 9.03487 -0.6863 6.657056312 6.657056312 0.454672762
+C      0.92788812     -0.18702861      0.05933380
+C      2.45285225     -0.03215576     -0.03998074
+O      3.09799169     -0.74994701      1.03499855
+C      3.01041166     -0.68580871     -1.32470142
+N      2.62043427     -2.09672864     -1.41300740
+C      2.82561987      1.43710142     -0.03543534
+C      3.74357836      1.99827520      0.75758471
+H      0.42378030      0.37063650     -0.74340304
+H      0.56671600      0.21172274      1.01955558
+H      0.65783374     -1.24594168     -0.03205199
+H      2.66396194     -0.48057673      1.86356471
+H      4.10374573     -0.51018352     -1.31715276
+H      2.59664265     -0.15121331     -2.19429608
+H      3.06550090     -2.60558570     -0.64446759
+H      2.97933212     -2.49925448     -2.28058246
+H      2.27799897      2.05624779     -0.75515170
+H      4.31145406      1.39923342      1.47229222
+H      3.95672735      3.06680708      0.70787095 
+
+16
+-1595.0230218576194 11.225065 12.23379 -9.7488 -7.5473 -9.838 0.8064 -0.1694 2.18 9.40578 -1.78417 4.3501232016 10.542219615 0.472362466
+C      0.88370330      0.00418321      0.04627750
+C      2.41250591      0.06202281      0.01583789
+O      2.90362339     -0.60479474      1.18386019
+C      2.98073890     -0.66916973     -1.22971190
+N      4.43295203     -0.80614314     -1.06244815
+C      2.87601160      1.46772703     -0.00932942
+C      3.28315660      2.61164123     -0.04906176
+H      0.45689560      0.49805199     -0.83672780
+H      0.51101093      0.51007610      0.94553557
+H      0.56178474     -1.04570651      0.07229432
+H      3.82409656     -0.85189501      0.93076730
+H      2.66876687     -0.13753163     -2.14683840
+H      2.53994750     -1.67721427     -1.24226239
+H      4.90135092      0.07374001     -1.29307902
+H      4.80964975     -1.52718393     -1.67750951
+H      3.62791540      3.62552659     -0.06056443 
+
+18
+-1749.2215647745745 11.686602 12.46688 -9.1789 -7.0305 -9.577 1.0365 -0.2187 1.266 9.05224 -0.69608 6.6479185438 6.6479185438 0.45157049
+C      3.15061802     -1.06789105     -0.98589864
+C      2.63345373     -0.12708089      0.10122826
+O      2.79705204     -0.68936140      1.41387641
+C      3.22473292      1.31736870      0.05792927
+N      2.58723394      2.21097264      1.03173960
+C      4.72512669      1.27993311      0.23760963
+C      5.40160985      1.88955598      1.21821846
+H      2.99540572     -0.63914657     -1.98790168
+H      2.61481462     -2.02508378     -0.93362231
+H      4.22357816     -1.27787681     -0.86669916
+H      1.54079692     -0.02400260     -0.01212956
+H      3.75560621     -0.68635930      1.60514399
+H      3.01914552      1.71749248     -0.95246845
+H      2.48550617      1.69495737      1.91282305
+H      1.63569857      2.41954110      0.72159327
+H      5.27504697      0.68805237     -0.50103662
+H      4.88480382      2.51593447      1.94717298
+H      6.48680014      1.80536417      1.29132152 
+
+16
+-1588.8607856667963 11.354597 12.41112 -9.2398 -7.0888 -9.749 0.7946 -0.2425 2.227 9.37496 -1.91086 4.393319924 10.7123656028 0.367562362
+C      0.94236593     -0.09519300     -0.02892548
+C      2.46883454     -0.03532279     -0.02901342
+O      3.00966374     -0.73316793     -1.15593882
+C      3.00736334      1.43118435      0.03555560
+N      2.54333538      2.23985102      1.17624980
+C      4.47158238      1.43675214      0.00874991
+C      5.68419393      1.42536771      0.03487013
+H      0.50820764      0.29876378      0.90082157
+H      0.62033242     -1.13956020     -0.13280835
+H      0.52510320      0.47859867     -0.87335615
+H      2.86411331     -0.57705296      0.84665683
+H      2.67710298     -0.30115932     -1.96431938
+H      2.64785675      1.94084203     -0.88176858
+H      2.89620910      1.83871132      2.04927093
+H      1.52269552      2.22853448      1.22156043
+H      6.75491984      1.41884069      0.03944498 
+
+20
+-1884.4766455523136 12.05106 13.18939 -8.7567 -6.735 -9.869 0.8568 -0.0682 3.055 9.06013 -2.76723 7.6941248104 13.3070826178 0.096743353
+C      1.22814261     -0.75575127      0.08847644
+C      2.71541474     -0.73685746     -0.22856380
+O      2.88875084     -0.55920859     -1.63634699
+C      3.44927041      0.39113910      0.51082781
+N      4.81551220      0.54845362     -0.00703854
+C      5.35265825      1.88113353      0.26266723
+C      5.72179413     -0.48459292      0.49675030
+H      1.05798257     -0.92760552      1.16149987
+H      0.73309967     -1.55999872     -0.47205808
+H      0.76277788      0.19894240     -0.19814397
+H      3.14971429     -1.71234556      0.07815160
+H      3.77980426     -0.14766294     -1.70980400
+H      3.43220315      0.21340284      1.60884211
+H      2.90991731      1.33168884      0.31389241
+H      4.68461373      2.64322157     -0.16122136
+H      6.33836636      1.98410224     -0.21353423
+H      5.47242504      2.08531867      1.34907617
+H      5.34794876     -1.48330092      0.23538511
+H      5.84541023     -0.43613990      1.60079186
+H      6.71081357     -0.36237899      0.03307007 
+
+15
+-1512.1912738220794 11.107164 11.70721 -8.7432 -6.7122 -9.764 1.2867 -0.4026 0.497 9.36241 0.26635 3.7512956188 5.9899248418 0.283506401
+C      1.29133622     -1.55876105      0.52394220
+C      1.59173628     -0.28729211     -0.23135238
+O      0.72984758      0.35620394     -0.81322935
+C      3.04074614      0.22218761     -0.22129570
+N      4.02872403     -0.78996397      0.08317867
+C      5.01716101     -0.89776821     -0.72404004
+N      6.06978644     -1.75634922     -0.50168136
+H      1.67551757     -1.49107920      1.55240875
+H      1.83238911     -2.39748030      0.06096546
+H      0.21270001     -1.74767610      0.51898395
+H      3.05596031      0.99510289      0.57248577
+H      3.20656347      0.75476606     -1.17864912
+H      5.13573191     -0.27770961     -1.63345581
+H      5.92127027     -2.46082524      0.21768549
+H      6.60720965     -2.05683548     -1.30783654 
+
+19
+-1770.4952376994086 11.294062 12.3202 -9.0552 -6.7745 -10.477 0.7665 -0.2442 2.802 9.80913 -2.48264 8.4751374216 10.4265530756 0.093478214
+C      0.82887419     -0.21184712     -0.10042965
+C      2.33932997      0.05350066     -0.18787901
+O      2.98191079     -0.34748889      1.03615834
+C      2.99355829     -0.76426879     -1.31135353
+N      2.78769143     -2.20167478     -1.10028113
+C      2.63036935      1.55658466     -0.40092043
+N      2.34138754      2.28963852      0.84495935
+H      0.31110206      0.12329449     -1.01287334
+H      0.39293821      0.30923236      0.76451809
+H      0.65430112     -1.28793958      0.01797165
+H      2.88917819      0.44498351      1.61233163
+H      4.06090793     -0.46476096     -1.35123970
+H      2.53247108     -0.48297867     -2.27324385
+H      3.23754284     -2.46409938     -0.21851466
+H      3.25596520     -2.73039405     -1.83832787
+H      2.07253076      1.92823501     -1.28060803
+H      3.70542082      1.67038241     -0.60940050
+H      1.35042906      2.53083512      0.90696258
+H      2.86212116      3.16616545      0.87935005 
+
+19
+-1770.335580333425 11.229926 12.08752 -8.9674 -6.8123 -10.29 0.8156 -0.1961 2.838 9.84935 -2.53021 8.2406426998 12.9845702346 0.066031159
+C      3.01298626     -1.25021636     -0.83072243
+C      2.67639922     -0.21040750      0.24009107
+O      3.04969580     -0.66507875      1.54997057
+C      3.26645510      1.19828603     -0.03155632
+N      2.87646590      2.16847651      1.01494287
+C      4.80006802      1.19675569     -0.15397233
+N      5.41581293      0.76217488      1.12077250
+H      2.69166090     -0.91590743     -1.82976172
+H      2.49907654     -2.19305642     -0.60039232
+H      4.09184094     -1.45982343     -0.86501941
+H      1.57725986     -0.09521980      0.27427815
+H      4.02277274     -0.48411621      1.60991774
+H      2.87121996      1.55532898     -0.99774415
+H      2.74326815      1.63915237      1.88485128
+H      1.96114779      2.56463298      0.79208588
+H      5.12041528      2.20880400     -0.46140015
+H      5.11394010      0.49447965     -0.94074387
+H      5.29892349      1.51615113      1.80504987
+H      6.42242100      0.63385368      1.00140278 
+
+17
+-1636.473925756655 10.987856 11.6153 -8.841 -6.8774 -9.669 0.6097 -0.3907 0.936 8.90424 -0.41778 4.9697556352 8.61764693 0.250893617
+C      2.99866735     -0.99359848     -1.51020180
+C      2.51990051     -0.34462148     -0.21386480
+O      2.58513707     -1.25746049      0.89101995
+C      3.25534408      0.96943450      0.11116452
+N      4.69499085      0.81680792      0.29659117
+C      5.30078721      0.66823003      1.53477411
+N      4.78835988      0.38681881      2.67856052
+H      2.84248033     -0.32672596     -2.37178139
+H      2.44646687     -1.92520870     -1.68906061
+H      4.07207100     -1.23219697     -1.45226841
+H      1.44797898     -0.09902292     -0.30288547
+H      3.51858855     -1.52208716      0.99818130
+H      2.82040120      1.39851275      1.02900916
+H      3.08415765      1.69232830     -0.70177607
+H      5.29450349      1.16319076     -0.44530403
+H      6.39093018      0.80408909      1.47240034
+H      3.76839480      0.25158001      2.61902151 
+
+14
+-1460.3411436811007 9.854829 10.80235 -9.718 -7.6025 -10.853 0.7212 -1.1584 -0.197 10.08825 0.92241 3.7635206384 9.2940897488 0.228632273
+C      0.92993080     -0.45795215      0.09599457
+C      2.41172077     -0.74327568      0.11810401
+O      2.87519403     -1.85838244     -0.07980563
+C      3.32335834      0.43910044      0.41605705
+N      4.69782025      0.00866307      0.47102997
+C      5.71515523      0.84941574      0.80444449
+O      5.57722011      2.03926358      1.07385284
+H      0.70687032      0.45058347     -0.48094729
+H      0.57998319     -0.27860971      1.12445991
+H      0.39042353     -1.31554900     -0.31937341
+H      3.01472992      0.91467756      1.36363717
+H      3.17099564      1.20982515     -0.36150816
+H      4.86243724     -0.97916993      0.27002582
+H      6.70134063      0.33144991      0.80434866 
+
+18
+-1701.9740433610916 10.536871 11.62029 -9.2307 -6.9281 -10.6 0.8083 -0.24 2.561 9.95979 -2.24733 8.464648206 9.2499631314 0.103558164
+C      1.04940794     -0.22121353      0.17883531
+C      2.51555516      0.06841637     -0.12518845
+O      3.37451190     -0.44180520      0.94171759
+C      2.99350773     -0.64608519     -1.39955027
+N      2.83415441     -2.10147939     -1.27955283
+C      2.76748713      1.58669529     -0.22158425
+O      4.15351952      1.90481149     -0.26496128
+H      0.40024907      0.23207798     -0.58530202
+H      0.75900021      0.20434447      1.15261764
+H      0.87230035     -1.30394774      0.17898782
+H      2.88516045     -0.35628750      1.77869156
+H      4.02895411     -0.31325718     -1.59956574
+H      2.37089044     -0.29371746     -2.23761742
+H      3.46616742     -2.43613039     -0.54722234
+H      3.13108394     -2.55030394     -2.14786683
+H      2.27553181      2.07867103      0.64286255
+H      2.31310040      1.99301384     -1.13912742
+H      4.56290801      1.32339706      0.40739638 
+
+18
+-1701.9981464063976 10.591004 11.67008 -9.4492 -7.2012 -10.607 0.6894 -0.3554 2.662 9.92393 -2.35836 8.329317487 10.6571298398 0.061766922
+C      3.03839843     -1.12429216     -0.58833647
+C      2.72261871      0.03593627      0.35349995
+O      3.33548637     -0.14586069      1.64787525
+C      3.19079921      1.41061167     -0.16176702
+N      2.87804690      2.51883486      0.76003680
+C      4.69983919      1.49448552     -0.45898714
+O      5.04154207      2.81451448     -0.86709400
+H      2.62664969     -0.93758265     -1.59172439
+H      2.58961618     -2.05818019     -0.21731598
+H      4.12207407     -1.27952489     -0.67677321
+H      1.62249138      0.10062967      0.48122615
+H      2.99940310     -0.97509247      2.02613813
+H      2.65748032      1.61217291     -1.10627935
+H      3.08644959      2.21391132      1.71621011
+H      1.88234615      2.74563211      0.73035037
+H      4.97593777      0.81661379     -1.27989064
+H      5.26788282      1.19107619      0.44175441
+H      4.48129808      3.37927426     -0.28816298 
+
+16
+-1587.5934714804744 10.272056 11.09742 -9.6734 -7.4657 -10.822 0.5691 -0.4619 0.061 10.11759 0.53728 4.3509911036 9.2343284968 0.251631854
+C      0.97295201     -1.28602054      1.44365237
+C      1.80377311     -0.90233275      0.22329224
+O      1.14871243     -1.44272959     -0.91633933
+C      1.95390049      0.63178931      0.13639724
+N      3.07921379      1.10964929     -0.68151623
+C      3.23893424      0.87931879     -2.00872939
+O      2.52656026      0.15154667     -2.70546709
+H      1.48097670     -1.00842518      2.37817463
+H      0.80869956     -2.37130479      1.44380619
+H     -0.01161083     -0.79586305      1.41094318
+H      2.82285760     -1.33104776      0.33079200
+H      1.54676215     -1.01159507     -1.71030844
+H      2.11460018      1.04292252      1.14238532
+H      1.00977137      1.04613436     -0.25577688
+H      3.74616776      1.74321378     -0.25007004
+H      4.11151918      1.42455401     -2.43021577 
+
+13
+-1330.7088416326467 12.164485 11.64429 -9.0342 -7.0601 -9.431 0.5248 -1.1872 0.007 9.02876 0.65947 4.412289782 5.4156712842 0.661612372
+C      1.77273302      3.03405941      0.79647059
+C      3.05093244      2.72165082      0.58657761
+O      3.42358376      1.38011769      0.51843639
+C      4.72576908      1.07452479      0.32887905
+N      5.65583738      1.95463345      0.21790794
+N      6.90112884      1.32489955      0.02802495
+C      7.86113207      2.16846516     -0.09462593
+H      1.48331526      4.08131164      0.84563711
+H      1.00693607      2.26906419      0.92113635
+H      3.86933497      3.42821350      0.45614245
+H      4.88526125     -0.00841388      0.28307861
+H      8.86462817      1.76468769     -0.24559768
+H      7.70523769      3.25538599     -0.05330743 
+
+13
+-1345.455060792689 11.417562 11.2226 -9.5358 -7.553 -10.469 -0.9073 -2.6698 -1.392 10.11008 1.8206 3.2326373836 5.2327299412 0.722713689
+C      2.18927165     -0.72603618      1.65752929
+C      2.04032769     -0.36386794      0.20152890
+O      1.40465688     -1.04289426     -0.59945119
+C      2.69870652      0.88415262     -0.29771985
+N      3.36247187      1.64005410      0.50712119
+N      3.90129082      2.76603165     -0.15915717
+C      4.53614548      3.52439023      0.66111963
+H      1.80276447      0.08447426      2.29152031
+H      3.25277335     -0.83452240      1.91395604
+H      1.65090590     -1.65807408      1.85663159
+H      2.58244841      1.11340595     -1.36679520
+H      4.99758261      4.42856492      0.25671114
+H      4.62203433      3.29158113      1.73175532 
+
+15
+-1483.3472556290626 11.280422 11.78691 -8.4573 -6.447 -9.161 0.933 -0.902 0.176 8.5712 -0.09194 3.7477620178 5.3524012284 0.358555887
+C      1.20251847     -0.65363938     -0.51225673
+C      2.61248767     -0.33019770     -0.07428456
+O      3.42465293     -1.19875261      0.21715594
+C      2.97511703      1.14409268     -0.00230215
+N      4.25322846      1.33296194      0.64135325
+N      4.92123556      2.47010245      0.31439156
+C      6.18685068      2.52508646      0.54657277
+H      0.80585624      0.09036682     -1.21625540
+H      0.55139956     -0.64805895      0.37587156
+H      1.17138183     -1.65648476     -0.95234293
+H      2.16765916      1.68776680      0.52179313
+H      2.97458027      1.52680048     -1.04202212
+H      4.79195434      0.45861019      0.71264812
+H      6.69782762      3.46014752      0.31786599
+H      6.76458019      1.68667806      0.96715157 
+
+15
+-1476.0262751243897 11.714167 11.8694 -9.4356 -7.4449 -9.827 0.169 -1.5385 0.009 9.43899 0.66953 4.39592363 5.7254751024 0.725434716
+C      0.77092724     -0.45704562      0.16023021
+C      2.28014434     -0.25187122     -0.02272792
+O      2.70663782     -0.79688513     -1.26119238
+C      2.65600443      1.19315637      0.11330182
+N      3.31288127      1.75459145     -0.83664174
+N      3.60418110      3.11303876     -0.57271489
+C      4.20542482      3.67199095     -1.55860254
+H      0.44057540     -0.11299070      1.15098188
+H      0.54174852     -1.52615541      0.06722420
+H      0.21513033      0.08828545     -0.61465874
+H      2.79774795     -0.78316981      0.80666291
+H      3.20062777     -0.07342570     -1.70646395
+H      2.37031604      1.74462441      1.02135559
+H      4.47516780      4.72505723     -1.45036491
+H      4.44962517      3.13434897     -2.48586953 
+
+17
+-1611.6648501511345 11.734127 12.10642 -8.6017 -6.6014 -9.182 1.0703 -0.627 0.424 8.61129 0.11507 4.725478418 5.280191782 0.331357393
+C      1.13539608     -0.84743357      0.30029985
+C      2.55756933     -0.32866884      0.46844388
+O      3.45053840     -1.32943149     -0.02714226
+C      2.76510642      1.00266885     -0.27051868
+N      4.04395813      1.66102724     -0.00741137
+N      5.15480428      0.92806248     -0.27950372
+C      6.28121739      1.25644079      0.25453901
+H      0.40782882     -0.16485163      0.76280265
+H      1.04052260     -1.83155027      0.77833802
+H      0.88999295     -0.96259651     -0.76577783
+H      2.75089969     -0.15451125      1.54997595
+H      4.29177040     -0.87012607     -0.24417861
+H      1.98004477      1.72119681      0.00860530
+H      2.68636431      0.82039543     -1.35482066
+H      4.08227989      2.21411301      0.85720108
+H      7.16011048      0.67691485     -0.02492084
+H      6.38885607      2.09349016      0.96182822 
+
+17
+-1609.4804051003478 11.728141 12.51871 -7.9372 -5.9396 -9.209 1.0134 0.0839 0.723 8.74869 -0.17256 5.0678905542 9.7068143456 0.199519208
+C      4.35527626     -1.74511303      1.38178238
+C      4.88755289     -0.38804903      0.97107382
+O      3.74973310      0.46334285      0.68949116
+C      4.04440042      1.73872959      0.33132037
+N      5.23871649      2.18888791      0.23992162
+N      5.40056712      3.54649395     -0.03878171
+C      6.62324961      3.79599426     -0.79813176
+H      5.19497213     -2.42119733      1.59517972
+H      3.74913696     -2.19139034      0.58130845
+H      3.73601036     -1.66952182      2.28622138
+H      5.51843523     -0.44448771      0.06906065
+H      5.49158391      0.08119689      1.76415213
+H      3.12516307      2.31714430      0.15255374
+H      4.58406504      3.94240306     -0.52383272
+H      7.48080409      3.44657014     -0.20814558
+H      6.72115599      4.88011532     -0.94627602
+H      6.65110732      3.29320100     -1.78351762 
+
+15
+-1476.694597115008 11.738875 12.03528 -9.0311 -7.0246 -9.589 0.9297 -0.8197 0.124 9.20185 0.52423 4.4350660102 5.5712613156 0.638883754
+C      1.12788605     -0.22693479     -0.01564585
+C      2.63926005     -0.20327907     -0.08471687
+O      3.06658319      1.17633726      0.12909131
+C      4.38201041      1.40492486      0.09380017
+N      5.25853783      0.48206985     -0.11652440
+N      6.55398416      1.03546414     -0.09510213
+C      7.46751169      0.15951586     -0.30880822
+H      0.77149043     -1.25464349     -0.17044363
+H      0.68549708      0.41069761     -0.79290478
+H      0.77013202      0.11673092      0.96430852
+H      3.02241143     -0.53504725     -1.06109264
+H      3.10665680     -0.83155843      0.68809412
+H      4.63184021      2.45974417      0.26279339
+H      8.50372099      0.50506820     -0.30906741
+H      7.24212765     -0.90138983     -0.48730160 
+
+17
+-1641.9361417972561 11.156895 12.29528 -8.6559 -6.6624 -9.681 0.8787 -0.0469 1.032 8.88493 -0.47647 5.2759514608 6.0825919782 0.16168506
+C      2.52698543     -1.23531674     -0.17237933
+C      3.86592506     -0.52884151     -0.08364394
+O      3.61387414      0.88617954     -0.05738699
+C      4.72526007      1.71041858     -0.00407834
+N      5.97080840      1.39754570      0.02115546
+N      4.29480836      3.01611657      0.04990484
+C      5.24673792      4.09960556     -0.12912985
+H      2.68205045     -2.32280123     -0.19265184
+H      1.99103954     -0.94512594     -1.08611882
+H      1.89789800     -0.99116317      0.69410744
+H      4.50001080     -0.77462994     -0.95342503
+H      4.40512919     -0.82338929      0.83369625
+H      6.11813566      0.38719405      0.04705230
+H      3.34470734      3.16088224     -0.27755941
+H      6.07451010      3.97162244      0.57891936
+H      4.74069956      5.05032311      0.07957746
+H      5.67603996      4.12924004     -1.14546954 
+
+16
+-1528.2043621421622 10.926566 11.81894 -8.621 -6.6149 -10.398 0.9919 0.0922 0.442 9.92438 0.11819 5.5733814762 10.044973762 0.223200639
+C      1.39309162     -0.51756096      0.17168460
+C      2.76287741     -0.07645949     -0.29760581
+O      3.15596779      1.06879544      0.50641830
+C      4.35130405      1.61491155      0.20897047
+N      5.10862381      1.16108249     -0.72500831
+O      6.29555556      1.94472338     -0.80141480
+C      7.10603619      1.41079269     -1.84794436
+H      1.06691718     -1.38694803     -0.41565880
+H      0.65324850      0.28365747      0.04001870
+H      1.41147943     -0.80584685      1.23150227
+H      2.76562527      0.22378494     -1.35735307
+H      3.52185140     -0.86545584     -0.17470379
+H      4.59572518      2.47358723      0.84291213
+H      8.00164682      2.04470363     -1.87106519
+H      6.58784836      1.46110352     -2.81908225
+H      7.39223144      0.36751882     -1.63850009 
+
+18
+-1704.1475022316104 10.633124 11.75066 -9.7883 -7.5653 -10.955 0.707 -0.3163 2.717 10.28776 -2.42385 8.6606452748 10.418791552 0.10315667
+C      3.55542999     -1.03057356      1.23256340
+C      2.78507972     -0.31479353      0.12208460
+O      1.36883708     -0.39615378      0.34437718
+C      3.17148671      1.15917297     -0.06470980
+O      2.79177556      1.86427013      1.12128250
+C      4.65234204      1.41773816     -0.36004178
+N      4.86762075      2.87695721     -0.34546935
+H      4.62333368     -1.13462117      0.98779658
+H      3.13860167     -2.03721342      1.36711707
+H      3.46688112     -0.48260402      2.18134773
+H      2.95602565     -0.83347064     -0.83695565
+H      1.17119875      0.26847521      1.03211191
+H      2.57260992      1.53629642     -0.92151675
+H      3.30987103      2.69803971      1.07360173
+H      4.94023597      0.92413830     -1.30755318
+H      5.26324934      0.98735097      0.44713729
+H      4.56485099      3.29443961     -1.22905761
+H      5.85781002      3.09927142     -0.23675587 
+
+16
+-1585.017113760801 10.175068 11.30796 -9.4712 -7.1182 -10.854 1.0891 -0.2069 0.16 10.2758 0.47843 4.4184146904 12.0264436224 0.193099155
+C      1.74413101      2.90503930     -1.38205790
+C      3.20300155      2.58235631     -1.64896942
+O      4.06277220      3.71762574     -1.32520250
+C      4.52167388      3.77547766     -0.04874578
+O      4.29925386      2.94034060      0.81035656
+C      5.32408898      5.04339186      0.17767369
+N      6.17181879      4.90797149      1.35759417
+H      1.11608919      2.06291182     -1.70683581
+H      1.43063912      3.80014839     -1.93652743
+H      1.56752051      3.06775014     -0.31065153
+H      3.38988781      2.40243407     -2.71573291
+H      3.53717684      1.71492995     -1.06470293
+H      4.57061842      5.85619375      0.23469686
+H      5.92464452      5.24289891     -0.72381258
+H      5.69511188      4.30167604      2.03146488
+H      6.31416144      5.81477398      1.80209263 
+
+14
+-1380.1867961629125 10.54003 10.69356 -9.0288 -6.86 -9.424 1.164 -0.7606 0.206 8.96787 0.3085 5.346214327 6.7392094356 0.454852171
+C      3.14402141      3.11286433     -1.05381619
+C      2.44475156      2.10351677     -0.52242811
+O      2.90344919      0.94388544      0.06189831
+C      4.29094536      0.65833433      0.02174321
+O      5.01393651      1.26155191      1.09276296
+N      5.80502385      2.33790380      0.62700760
+C      6.43803867      2.89124372      1.59147122
+H      2.59003808      3.93842196     -1.49704151
+H      4.23097571      3.16517387     -1.04397623
+H      1.35303439      2.09560193     -0.50560329
+H      4.74075995      0.95985449     -0.93633849
+H      4.35460613     -0.42420775      0.18912118
+H      7.08237458      3.72732547      1.31876301
+H      6.35445463      2.56330974      2.63334634 
+
+14
+-1400.448862688523 10.222454 10.68565 -9.2304 -7.1755 -10.552 0.9 -0.9905 -0.087 9.65946 0.60381 3.763843002 6.624447994 0.408387455
+C      2.05175114     -1.72291716      1.57299710
+C      1.58147850     -0.59865924      0.68664199
+O      0.41786280     -0.23228660      0.62127105
+C      2.61411303      0.11948554     -0.19294681
+O      3.96141437     -0.36018193     -0.10549377
+N      4.58402927      0.20138591      1.02990251
+C      5.79542591     -0.20002842      1.13932926
+H      2.62232782     -2.45940088      0.98774072
+H      1.19054770     -2.19334783      2.05863500
+H      2.74565799     -1.32754510      2.33047910
+H      2.57199794      1.19615509      0.03035488
+H      2.31943678     -0.02737149     -1.24253113
+H      6.35273893      0.19380776      1.98925427
+H      6.26603781     -0.89182565      0.43167583 
+
+16
+-1530.7985043877347 10.876688 11.47913 -9.6131 -7.4596 -10.901 0.9567 -0.9289 0.106 10.49997 0.43891 5.215099132 6.555945729 0.437091152
+C      0.50707570     -0.52937208      0.37643534
+C      1.99472214     -0.42337753      0.06213974
+O      2.22362417     -1.09157403     -1.18215811
+C      2.43598731      1.03787562      0.00717742
+O      3.87373284      1.21763496      0.02146663
+N      4.43654092      0.66946990     -1.14079918
+C      5.70286233      0.85615652     -1.19456830
+H      0.28310542     -0.13985991      1.37952294
+H      0.20100878     -1.58290332      0.33547677
+H     -0.08706401      0.02465326     -0.36531578
+H      2.57457534     -0.91590376      0.87049076
+H      3.07917874     -0.74897770     -1.51856811
+H      2.11112146      1.57496305      0.90950902
+H      2.01266374      1.52979669     -0.88468924
+H      6.21336888      0.45083458     -2.06799246
+H      6.25674624      1.39241375     -0.41634744 
+
+16
+-1595.5852393179478 10.23635 11.37119 -9.4545 -7.3968 -10.694 0.8965 -0.0321 0.487 10.13401 0.09698 4.9119161662 12.5574136674 0.205397483
+C      4.24881110      4.05540603     -2.27203582
+C      3.12341072      3.71324627     -1.31160142
+O      3.52974128      3.88560249      0.07239464
+C      4.13084913      2.78638435      0.64274884
+O      4.29626942      1.70852039      0.08607661
+N      4.50197317      3.09008446      1.92162222
+C      5.15396472      2.12869909      2.78925832
+H      3.88625268      3.98195240     -3.30784344
+H      5.08648786      3.35576789     -2.15287496
+H      4.61089669      5.07949711     -2.10634993
+H      2.78273818      2.67836569     -1.45153029
+H      2.27169338      4.39709606     -1.42893953
+H      4.29820890      4.02673874      2.25350505
+H      5.23237638      1.18635466      2.23537472
+H      4.56878530      1.95528155      3.70494863
+H      6.16605111      2.45923284      3.06972635 
+
+16
+-1523.9853241832268 10.853632 11.5627 -9.6618 -7.5884 -10.96 1.2733 -0.6294 0.236 10.58362 0.27241 5.3433130546 6.69586393 0.48091113
+C      3.75179075     -1.96179327     -0.87930249
+C      4.14868475     -0.90609834      0.13354159
+O      4.16495237      0.37214393     -0.53481185
+C      4.35583890      1.46623644      0.30904301
+O      5.72674711      1.67149021      0.70028411
+N      5.98151779      1.03731618      1.93430284
+C      7.21148405      1.15799228      2.27099960
+H      3.73356597     -2.95125561     -0.40178928
+H      4.47048560     -1.99240621     -1.70969511
+H      2.75455131     -1.75521915     -1.29138560
+H      5.14367725     -1.11857796      0.55811270
+H      3.42917440     -0.86505757      0.97273678
+H      3.75122622      1.39044197      1.23008245
+H      4.10279480      2.35823216     -0.27875171
+H      7.49296273      0.70694380      3.22294118
+H      7.95383600      1.68088116      1.65734179 
+
+16
+-1632.6165883428453 10.825319 11.81346 -8.8273 -6.8933 -9.985 0.7381 -0.2016 0.714 9.40767 0.00257999999999 4.430205759 11.9368637374 0.264494926
+C      3.27923298     -1.15724036     -0.75339271
+C      2.56741361      0.03900962     -0.14134018
+O      1.49281167     -0.03968481      0.46149053
+N      3.20221377      1.23464981     -0.30880581
+C      2.84072239      2.55749160      0.21447222
+C      4.17507178      3.10182056     -0.37629043
+C      4.50061997      1.65817345     -0.85810698
+H      4.26125368     -1.31611821     -0.28307890
+H      3.44674192     -1.01488347     -1.83116176
+H      2.65886564     -2.04514188     -0.59701913
+H      2.75717397      2.58142786      1.31187877
+H      1.91604806      2.96494701     -0.22052393
+H      4.04784517      3.82737472     -1.18761674
+H      4.87524402      3.50510311      0.36392027
+H      4.59141537      1.53037072     -1.94896713
+H      5.36860597      1.18611026     -0.36847808 
+
+16
+-1634.3897528974107 10.794982 11.88683 -9.1835 -7.2173 -10.41 0.8301 -0.1119 0.572 9.57621 0.099 4.3445686288 12.0317626218 0.189896512
+C      3.02202977     -1.67836240      0.95207857
+C      2.44315415     -0.43554144      0.30257471
+O      1.24715523     -0.31394888      0.03970351
+N      3.33994292      0.57455234      0.00692038
+C      4.71169899      0.64860884      0.42622828
+C      5.77411173     -0.10872631     -0.34313793
+C      5.67475829      1.39179147     -0.46428488
+H      3.86268186     -2.08392161      0.37304613
+H      2.22667892     -2.42556606      1.03140298
+H      3.40142251     -1.44750700      1.95886115
+H      2.89132607      1.43156814     -0.31498073
+H      4.87542869      0.75230591      1.50469703
+H      5.43536132     -0.69783580     -1.19543582
+H      6.60366836     -0.53557207      0.22073001
+H      6.43283870      2.01091202      0.01440102
+H      5.27755249      1.78966286     -1.39864441 
+
+16
+-1637.9407959062437 11.681517 12.51387 -9.2203 -7.2482 -9.706 1.1705 -0.3034 0.521 9.54563 0.15312 4.343787517 6.6817543232 0.326360286
+C      0.76595375     -1.42486352     -0.05269866
+C      2.28284455     -1.37517172      0.02205928
+O      2.96410503     -2.39431817      0.13908015
+N      2.83134099     -0.11576868     -0.04216076
+C      4.27153704      0.11838755      0.00176900
+C      4.75411349      0.87107292     -1.20462493
+C      5.40478572      2.03885907     -1.15465931
+H      0.29411182     -0.44589739     -0.20956269
+H      0.38445624     -1.86041896      0.88026892
+H      0.47915042     -2.09853711     -0.87006338
+H      2.21666038      0.68410426     -0.15956594
+H      4.72196294     -0.88622003      0.04681219
+H      4.54788045      0.65485389      0.92497148
+H      4.54236846      0.40186931     -2.17151996
+H      5.62481014      2.52601037     -0.20086355
+H      5.75050857      2.54083821     -2.05912186 
+
+14
+-1479.4279684409335 11.010737 12.0815 -9.4578 -7.4526 -9.946 0.7592 -0.2533 0.473 9.61494 0.20641 4.3327279658 10.9755878808 0.610756397
+C      1.28007171     -0.56503677     -0.03263867
+C      2.77967110     -0.33215371     -0.00854694
+O      3.57861692     -1.22134529      0.28395214
+N      3.18047914      0.94010650     -0.34701763
+C      4.58418184      1.33705818     -0.27909256
+C      4.79138684      2.53118851      0.53336637
+C      4.95034653      3.53929123      1.18982461
+H      0.69892711      0.30521967     -0.36425014
+H      0.95716429     -0.84890267      0.97787942
+H      1.06847051     -1.41402988     -0.69513838
+H      2.48327602      1.66120729     -0.50380824
+H      4.99041188      1.50343457     -1.29180529
+H      5.11675476      0.47092842      0.14636610
+H      5.10134133      4.41974396      1.78061919 
+
+16
+-1577.2830305802493 12.087079 12.54592 -9.3431 -7.3506 -9.611 1.3638 -0.4917 0.323 9.0356 0.21475 5.315527792 6.5384513044 0.624834338
+C      1.23795837     -0.31062000      0.58753628
+C      2.54208581      0.29105076      0.06879142
+O      2.65316259      0.09869608     -1.37660708
+N      2.92362151     -1.25094922     -1.64245336
+C      3.00000445     -1.47397150     -2.90234482
+C      2.61881731      1.77446144      0.28502138
+C      3.50098164      2.36836565      1.09378458
+H      1.17027091     -0.18488579      1.67694634
+H      1.20285622     -1.38238796      0.35168621
+H      0.37262020      0.18408084      0.12305585
+H      3.40693780     -0.20556569      0.53861675
+H      3.22346379     -2.50049129     -3.19357907
+H      2.85682359     -0.69558874     -3.66080037
+H      1.86803935      2.37041143     -0.24532281
+H      4.25953208      1.79310269      1.63056885
+H      3.49298439      3.44771130      1.25197986 
+
+14
+-1418.587340238509 11.582989 12.20451 -9.5064 -7.4976 -9.78 1.2561 -0.6327 0.253 9.35276 0.29068 4.3974858536 6.5318552492 0.380833761
+C      1.06103712     -0.09281318      0.39369502
+C      2.53327449      0.02014899     -0.00378856
+O      2.74940053     -0.49519989     -1.35423302
+N      2.77385590     -1.89882534     -1.28993163
+C      2.89931255     -2.41543249     -2.45554340
+C      3.01492064      1.39784421      0.00305337
+C      3.38919051      2.55056178      0.04507428
+H      0.91526879      0.28404249      1.41478545
+H      0.75686321     -1.14661935      0.35542556
+H      0.43649602      0.49358122     -0.29259319
+H      3.15473192     -0.58743566      0.67592743
+H      2.94347745     -3.50401800     -2.49254751
+H      2.96446348     -1.82029620     -3.37354318
+H      3.72732738      3.56645141      0.07148938 
+
+18
+-1726.7683419420925 12.401277 13.42337 -8.9502 -6.9612 -10.332 1.3228 -0.2103 0.614 9.81301 0.01928 5.4524951262 6.43673319 0.293742818
+C      2.36114147      1.06177176     -1.39011005
+C      3.26092745      1.35862901     -0.20694394
+O      4.55830585      1.70410728     -0.73329517
+N      5.42491089      1.99145868      0.34286070
+C      6.59973272      2.29697026     -0.07426201
+C      7.67939473      2.62918855      0.90710214
+C      8.86404149      1.65394857      0.83275592
+H      1.35628611      0.79686940     -1.03367460
+H      2.75073679      0.22111063     -1.98074449
+H      2.27411635      1.93749817     -2.04814633
+H      3.36154177      0.48252614      0.45507341
+H      2.87780480      2.20156809      0.39192717
+H      6.82802556      2.30432714     -1.15100975
+H      7.24396915      2.63554162      1.91671749
+H      8.03963512      3.65206121      0.70014217
+H      8.54862515      0.63440965      1.09524124
+H      9.65935831      1.95626689      1.52812097
+H      9.29624631      1.62298694     -0.17841487 
+
+18
+-1731.6783877880027 12.169725 13.09867 -8.7393 -6.7704 -10.049 0.9322 0.041 0.765 9.44611 -0.0702 5.4949727298 11.9541473858 0.300762059
+C      1.34636720      3.50498594      1.26927643
+C      2.50360123      2.56530343      0.99345263
+O      3.64244920      3.37529916      0.64137418
+N      4.73779688      2.51601015      0.37943784
+C      5.80246134      3.18780991      0.09228202
+C      5.86690893      4.68853420      0.04828928
+C      7.02971312      2.38187598     -0.21720835
+H      0.45552302      2.92415056      1.54603481
+H      1.10411499      4.10492747      0.38098141
+H      1.58195855      4.18881178      2.09681381
+H      2.27816813      1.87844727      0.16057040
+H      2.75218418      1.95888033      1.88048698
+H      5.45453884      5.11931779      0.97221365
+H      5.24745259      5.07548260     -0.77594940
+H      6.89710159      5.03864683     -0.09059795
+H      6.81423815      1.30910254     -0.14825716
+H      7.84369853      2.63106488      0.48217044
+H      7.39702352      2.60915919     -1.23083101 
+
+16
+-1585.5621142783089 13.365249 13.15399 -8.5545 -6.6845 -9.414 0.3879 -1.2774 -0.456 8.8885 0.96083 5.1233246948 5.2313908924 0.754997341
+C      0.25416335     -0.51270402      0.62327016
+C      1.54970941     -0.93048456     -0.04186653
+O      2.62901027     -0.28603863      0.67350711
+N      3.84312310     -0.62001338      0.06797668
+C      4.83809352     -0.07368198      0.69135682
+C      6.18357617     -0.29821847      0.21372113
+C      7.27576721      0.22558719      0.80300731
+H     -0.59227096     -0.99105059      0.11182741
+H      0.11660140      0.57601148      0.57269054
+H      0.23518558     -0.81795705      1.67843265
+H      1.58652484     -0.61679299     -1.09748606
+H      1.69647640     -2.02196770      0.00182508
+H      4.67175779      0.55659218      1.57669936
+H      6.27781993     -0.93111414     -0.67293819
+H      7.19505215      0.85877942      1.68941074
+H      8.27624985      0.03488324      0.41607578 
+
+14
+-1423.6901708187052 12.591607 12.77876 -8.9749 -7.0012 -9.681 0.2334 -1.4558 -0.331 9.2258 0.84905 3.9143248102 11.4656549444 0.407620167
+C     -0.00784509      0.17687789      0.43459367
+C      1.43462162     -0.28208529      0.48148632
+O      2.22913961      0.73156975     -0.18379204
+N      3.56788731      0.35598467     -0.15509081
+C      4.30141199      1.25050112     -0.74365499
+C      5.70126125      1.07595663     -0.83450030
+C      6.90994792      1.00363423     -0.95670920
+H     -0.64501530     -0.56878098      0.92944082
+H     -0.35371299      0.29110130     -0.60171820
+H     -0.13498612      1.13653670      0.95375352
+H      1.57732211     -1.24086190     -0.04152978
+H      1.79692973     -0.39056525      1.51589997
+H      3.85142469      2.15302826     -1.17892623
+H      7.97299328      0.91970290     -1.05331277 
+
+17
+-1657.6683326988973 11.103644 12.09823 -9.0295 -7.0717 -10.387 0.703 -0.3023 0.673 9.48568 -0.01047 4.3765322196 8.735185658 0.162623974
+C      0.95487557      2.40813773      0.66928326
+C      2.24801087      1.60836586      0.69209014
+O      2.32944782      0.51655596      1.26076243
+N      3.29897627      2.18028217      0.02736549
+C      4.61368554      1.56974485     -0.04649510
+C      5.70256142      2.63350353      0.07759677
+N      5.50913864      3.67228998     -0.95071935
+H      1.07186595      3.43019582      0.28481065
+H      0.54980455      2.44499109      1.68824222
+H      0.22404817      1.87591160      0.04463431
+H      3.20801584      3.09196392     -0.41639909
+H      4.73384226      1.02169591     -1.00060532
+H      4.68315033      0.82845142      0.76151951
+H      6.69004778      2.13503004      0.03880448
+H      5.61656326      3.11796483      1.06269606
+H      5.79306900      3.31339579     -1.86657098
+H      6.10980673      4.47649950     -0.76035547 
+
+13
+-1388.9778856814012 9.862412 10.90298 -9.98 -8.0081 -10.989 0.632 -0.5511 0.156 9.95611 0.50476 4.3177752542 12.3532087254 0.482118272
+C      1.08168710     -0.12648324      0.17311708
+C      2.49567191     -0.10772907     -0.37014891
+O      2.79853532     -0.60277878     -1.45296802
+N      3.43255565      0.49453658      0.44786391
+C      4.81262209      0.62811404      0.01564600
+C      5.25155498      2.02540485     -0.03893518
+N      5.60247909      3.13760973     -0.04733812
+H      0.97400185      0.35677204      1.15232754
+H      0.74967760     -1.17018876      0.24748464
+H      0.42630603      0.37516242     -0.55068573
+H      3.13980256      0.94349601      1.31013854
+H      4.85789603      0.18068975     -0.99105275
+H      5.50138981      0.06734445      0.66823101 
+
+13
+-1327.925453751589 10.3856 11.02265 -10.1436 -8.0929 -11.22 0.8803 -1.0359 -0.02 10.81172 0.55935 5.4095587744 6.6989263842 0.463454253
+C      1.10080679     -0.09598370      0.59101981
+C      2.50458917      0.00160075     -0.00367604
+O      2.53829373     -0.43844885     -1.38400692
+N      2.63793142     -1.84818023     -1.38549421
+C      2.61126701     -2.30750980     -2.57971038
+C      3.00989929      1.38110721      0.00281925
+N      3.39351677      2.48018701      0.05769998
+H      1.10304476      0.24958499      1.63310206
+H      0.77923836     -1.14437988      0.56390495
+H      0.39771091      0.51736726      0.01402059
+H      3.21071950     -0.62352654      0.56773947
+H      2.69909587     -3.39000293     -2.67348585
+H      2.51213641     -1.67319527     -3.46741271 
+
+17
+-1598.7087792798577 11.959806 12.75463 -9.0913 -7.0493 -10.374 1.1583 -0.3745 0.565 9.89542 0.05753 5.4428242182 6.4393244974 0.272951847
+C      0.88180798      1.56998620      0.59504691
+C      2.26722434      1.28855003      0.04874634
+O      3.13329886      2.34628667      0.51247260
+N      4.43483666      2.11452809      0.02885740
+C      5.24098374      3.04705938      0.38768902
+C      6.67894144      2.96769277     -0.02502170
+N      7.05076761      4.18419976     -0.76722374
+H      0.18735348      0.78600191      0.26317497
+H      0.50569941      2.53811659      0.23666687
+H      0.88641658      1.58417027      1.69364306
+H      2.27240009      1.27574577     -1.05384040
+H      2.65663633      0.32148230      0.40752872
+H      4.90246836      3.91407112      0.97143622
+H      6.83572557      2.01478683     -0.56330879
+H      7.30085217      2.93759376      0.88636998
+H      6.60423400      4.17326241     -1.68764074
+H      8.05960338      4.19788613     -0.93030672 
+
+13
+-1331.162320033052 11.206204 11.51386 -9.8344 -7.9443 -10.807 -0.2592 -2.1377 -1.139 10.38391 1.52059 4.7151007898 12.6391452386 0.597373304
+C      0.36950657     -0.98751018     -0.12740668
+C      1.79090310     -0.54923238      0.14867612
+O      1.85325468      0.88563094     -0.10232840
+N      3.12979172      1.33944006      0.13376786
+C      3.21628394      2.61458054     -0.08136621
+C      4.46817736      3.25844781      0.11568177
+N      5.46252255      3.85861240      0.25557442
+H      0.28230905     -2.06758298      0.05118704
+H      0.08794845     -0.78821312     -1.17006272
+H     -0.34034351     -0.47204341      0.53331264
+H      2.51452150     -1.04609445     -0.51458969
+H      2.08505553     -0.72870957      1.19350814
+H      2.36301907      3.21987433     -0.40836430 
+
+17
+-1595.2248757962357 11.336484 11.88388 -8.8365 -6.8856 -9.929 0.8699 -0.1742 0.871 9.21104 -0.34227 4.9170739838 6.2951907724 0.160474479
+C      4.87860080      1.65827212     -1.86213204
+C      4.74446051      1.55658664     -0.35606836
+O      5.81067047      2.35117421      0.21951435
+N      5.72557859      2.28913624      1.64260021
+C      6.84028274      1.51582841      2.18276938
+C      5.44028254      3.53680793      2.21497900
+N      5.01887514      4.60443695      1.65086999
+H      4.09079564      1.06316109     -2.34345466
+H      5.85311373      1.27798674     -2.19742338
+H      4.77669240      2.69931409     -2.19798803
+H      4.84358989      0.51171106     -0.01426538
+H      3.77376677      1.94443366     -0.00567739
+H      6.75833935      0.47300263      1.85078115
+H      6.77308745      1.53592184      3.27839613
+H      7.81548474      1.92413233      1.86967945
+H      5.55613359      3.50177517      3.30819824
+H      5.00036566      4.46395889      0.62889135 
+
+17
+-1604.6071556392817 11.319315 12.07689 -9.1351 -7.1562 -10.162 0.8296 -0.1211 0.972 9.48472 -0.38318 4.9657508874 6.5869670262 0.173125448
+C      6.51157861      1.47606938      3.07729404
+C      6.85548627      2.14524296      1.76179443
+O      5.74583841      3.01151262      1.42208198
+N      6.05168249      3.70946138      0.22001873
+C      6.04080195      5.11704305      0.36452328
+C      6.02536058      5.82587910     -0.96560068
+N      6.10832358      5.76318870      1.46877209
+H      7.32709135      0.80095472      3.37048517
+H      5.58935438      0.88546383      2.99115392
+H      6.37628133      2.21908286      3.87511921
+H      6.99658598      1.40281319      0.95737531
+H      7.77492049      2.74869324      1.83895974
+H      5.40867246      3.37462797     -0.50492698
+H      5.06541654      5.67298320     -1.48276901
+H      6.82551648      5.45930330     -1.62373397
+H      6.16005623      6.89733691     -0.78812758
+H      6.06862285      5.09417359      2.25244033 
+
+16
+-1590.7214204006195 10.225309 11.17237 -9.628 -7.3526 -10.713 0.5485 -0.4613 0.295 9.78761 0.39027 4.3964443712 8.6620711138 0.198541193
+C      0.94170711     -0.38725129     -0.14463508
+C      2.41929238     -0.60730468      0.11674496
+O      2.84941019     -1.71951377      0.45608655
+N      3.22414018      0.48201860     -0.04466432
+C      4.69300328      0.44991023      0.01622137
+C      5.28573378      0.01489765      1.36471860
+O      5.35197063     -1.38803606      1.53812519
+H      0.67585454      0.65711180     -0.35190372
+H      0.37527690     -0.73998808      0.72637168
+H      0.64456987     -1.00821608     -1.00058774
+H      2.78598204      1.34716472     -0.34222891
+H      5.02853576      1.47094386     -0.21485860
+H      5.08135314     -0.22110343     -0.76818904
+H      4.71743156      0.51163479      2.17818024
+H      6.32233906      0.38665336      1.41360443
+H      4.47735959     -1.73734163      1.23793441 
+
+14
+-1475.3687766904025 9.839531 10.67387 -9.7986 -7.8091 -11.147 0.8062 -1.0034 -0.513 10.27097 0.99761 4.1179222208 8.9944527826 0.284071624
+C      3.16436974     -1.59593446      0.22477006
+C      2.50297270     -0.27162891     -0.03650817
+O      1.32176112     -0.14293403     -0.32967264
+N      3.28792031      0.90119779      0.06199359
+C      4.64421923      1.07217876      0.37038200
+C      5.07532457      2.52772812      0.37876191
+O      5.40250974      0.14569266      0.61697329
+H      4.01635906     -1.74792204     -0.45029189
+H      2.41280567     -2.37963917      0.08789774
+H      3.57839889     -1.62826755      1.24131659
+H      2.73857942      1.73905242     -0.13310503
+H      4.79868318      3.03408343     -0.55696453
+H      6.16056237      2.57067492      0.51184623
+H      4.58996401      3.06329805      1.20807085 
+
+14
+-1458.2792967430528 9.861136 10.79657 -9.5237 -7.5223 -10.835 0.7161 -1.3636 -0.395 10.44055 1.02013 3.6893398146 8.702639333 0.218762102
+C      0.99365610     -0.45941040     -0.30579974
+C      2.40540988     -0.70841443      0.19234519
+O      2.71917943     -1.71409278      0.83052076
+N      3.32007088      0.26825756     -0.11010182
+C      4.68116369      0.18985999      0.34737389
+C      5.44058953      1.44417223      0.01350175
+O      4.95422727      2.39798085     -0.56873279
+H      0.33196614     -0.34433931      0.56337639
+H      0.65614896     -1.34522397     -0.85842412
+H      0.89986363      0.42669985     -0.94638385
+H      3.05869670      1.12549520     -0.59522638
+H      5.22179203     -0.66901822     -0.09506572
+H      4.73773861      0.02249275      1.43980827
+H      6.50862713      1.44429068      0.33967814 
+
+14
+-1395.7064093937893 10.33501 10.85589 -9.4755 -7.3167 -10.743 0.7226 -1.2127 -0.155 9.99521 0.62378 3.6902325138 6.6562008086 0.420123609
+C      1.20430281     -0.19741320      0.40317066
+C      2.69611688      0.01651459      0.17240363
+O      2.94542373     -0.25510993     -1.22052011
+N      4.32839833     -0.09717711     -1.46408341
+C      4.62262170     -0.38141275     -2.67695821
+C      3.08633967      1.45022771      0.52400376
+O      3.24104867      1.83869396      1.66405199
+H      0.97203655     -0.01776651      1.46003638
+H      0.92846979     -1.22810128      0.14577269
+H      0.60808534      0.48971089     -0.21347455
+H      3.29132861     -0.66863722      0.79818670
+H      5.67333056     -0.28051417     -2.94917717
+H      3.88085956     -0.70722582     -3.41510908
+H      3.18198781      2.13355083     -0.35810329 
+
+16
+-1532.1041132254784 11.050013 11.79285 -9.3822 -7.2922 -10.517 1.3445 -0.4054 0.338 10.05133 0.2738 5.3476277674 6.354778444 0.288848544
+C      1.13963442     -0.37996203      0.36942394
+C      2.60538685     -0.29269353     -0.00396116
+O      3.10220427      0.96553237      0.50751454
+N      4.46200970      1.08354921      0.19288369
+C      4.97445832      2.18354945      0.60340331
+C      6.42736662      2.42184365      0.32599142
+O      7.05301635      1.36297925     -0.37463520
+H      0.72050925     -1.32289916     -0.00711823
+H      0.57013472      0.45000794     -0.07066694
+H      1.00723738     -0.35490652      1.45958134
+H      2.74806465     -0.31580524     -1.09681224
+H      3.18811226     -1.11524449      0.44217158
+H      4.39117930      2.94108319      1.14276208
+H      6.94585935      2.59462259      1.29016830
+H      6.52552939      3.36330226     -0.25039262
+H      6.35552719      0.68827106     -0.51126381 
+
+14
+-1401.203332168284 11.27188 11.38868 -9.8358 -7.7658 -11.142 -0.3859 -2.2592 -1.704 10.29514 2.02993 3.1551089378 5.4384971068 0.462588546
+C      0.25843677     -0.55968970      0.08232384
+C      1.74135237     -0.25820022      0.09584622
+O      1.88426361      1.18341398      0.25258235
+N      3.21499510      1.52012509      0.30056162
+C      3.39335209      2.79473628      0.43742823
+C      4.78552171      3.25766714      0.49807037
+O      5.09583773      4.43539294      0.62120744
+H      0.10764273     -1.64018499     -0.04507053
+H     -0.24289561     -0.04316140     -0.74722725
+H     -0.21668809     -0.25492373      1.02436970
+H      2.23293501     -0.55350841     -0.84370446
+H      2.25731265     -0.74930420      0.93469396
+H      2.57121327      3.51724394      0.50526346
+H      5.54605067      2.44380328      0.42225506 
+
+16
+-1542.1163240592725 10.588406 11.31007 -9.2487 -7.2905 -10.505 0.8242 -0.1464 0.209 9.76335 0.37534 4.2767854826 6.0266742922 0.185248374
+C      0.86798818      0.59443687     -0.86261854
+C      1.82580504     -0.34800429     -0.16385122
+O      3.08723858      0.35849142     -0.02196793
+N      4.05917659     -0.48682256      0.55885890
+C      4.95712087     -1.13135548     -0.38154161
+C      4.42097207     -0.17207205      1.84757633
+O      5.39249110     -0.64009457      2.42993673
+H     -0.10688403      0.10377397     -0.98611877
+H      1.24422810      0.87201796     -1.85646281
+H      0.72096468      1.51117263     -0.27575923
+H      1.98611228     -1.26757141     -0.75232039
+H      1.46065370     -0.63448022      0.83678741
+H      4.42307285     -1.88404779     -0.97719980
+H      5.73657828     -1.62038004      0.21481807
+H      5.41464000     -0.38701975     -1.05087103
+H      3.69220170      0.53702531      2.29827390 
+
+16
+-1550.300366202144 10.543775 11.29344 -9.4193 -7.4462 -10.803 0.8801 -0.1853 0.306 9.86206 0.32338 4.2438300038 12.5161263294 0.249490252
+C      0.63222920      0.81412239      0.69590516
+C      1.25447562     -0.41490164      0.06569846
+O      2.64296504     -0.44828144      0.48121313
+N      3.28352845     -1.58195440     -0.07636814
+C      3.88686322     -2.49095186      0.78891760
+C      3.35613933     -2.51953724      2.20293090
+O      4.76054132     -3.23737931      0.35699467
+H     -0.42523176      0.88172583      0.40623188
+H      1.14059195      1.72856941      0.36150341
+H      0.68704892      0.76555614      1.79196526
+H      1.20624148     -0.37181727     -1.03612021
+H      0.75467436     -1.34145423      0.39555115
+H      3.85621048     -1.33230328     -0.88797015
+H      2.26215134     -2.61614947      2.21690720
+H      3.60563304     -1.58221668      2.71921280
+H      3.81367800     -3.36590695      2.72406686 
+
+17
+-1601.2137176216565 11.88434 12.55063 -7.8595 -5.9376 -9.487 0.8717 -0.0805 0.773 8.83644 -0.18232 5.6541087608 5.7896626546 0.140489154
+C      0.97433876      0.92325617      0.84307246
+C      2.47824006      0.81231707      0.67774116
+O      2.97642704      2.12967198      0.40831064
+N      4.39199421      2.04325924      0.23665818
+C      4.85968798      3.21491357     -0.04263648
+N      6.21363221      3.44017555     -0.15874147
+C      7.13090834      2.30909462     -0.18684591
+H      0.55047175     -0.06791402      1.05610226
+H      0.50480966      1.30969649     -0.07236780
+H      0.71770416      1.59424976      1.67469228
+H      2.74178276      0.14041868     -0.15844007
+H      2.95595867      0.41960357      1.59288924
+H      4.21356289      4.09430347     -0.15528604
+H      6.45824922      4.22809636     -0.75090939
+H      7.03589560      1.74388236      0.75013624
+H      8.15678590      2.68556636     -0.27368300
+H      6.92023080      1.61318878     -1.01741229 
+
+16
+-1528.2218725204034 10.928901 11.75085 -8.612 -6.6153 -10.389 1.0336 0.1521 0.438 9.92012 0.11437 5.562321925 12.1141637174 0.272469925
+C      0.86559154     -0.12705304      0.04523782
+C      2.37300771     -0.18715803     -0.10425575
+O      2.88901548      1.09784762      0.28540075
+N      4.30259128      1.07005020      0.15064410
+C      4.79698391      2.20511615      0.49220793
+O      6.12237782      2.45586348      0.45931152
+C      6.95102102      1.36273019      0.01432283
+H      0.42671791     -1.09272283     -0.24100627
+H      0.43631143      0.65185426     -0.59994479
+H      0.58107609      0.08649250      1.08480263
+H      2.66794235     -0.39716248     -1.14682388
+H      2.81238339     -0.96715470      0.54126849
+H      4.21320123      3.06500177      0.83615562
+H      7.97724191      1.74206918      0.05064458
+H      6.67919087      1.06656551     -1.00890818
+H      6.83079607      0.49480021      0.67833263 
+
+15
+-1479.1403629526583 10.524025 11.14233 -8.6622 -6.7314 -10.228 0.9146 -0.0889 0.558 9.59087 0.10566 4.2888245232 12.4952346884 0.168352999
+C      2.50098429     -1.00797533      1.40188693
+C      2.08510848     -0.19300003      0.19893901
+O      1.06335776     -0.39525590     -0.45526088
+N      2.90699307      0.88062816     -0.11894525
+N      4.27201157      0.91168607      0.34126144
+C      4.90774709      2.20608877      0.02834962
+C      4.47878058      1.92164038      1.42094815
+H      3.54158529     -1.34495736      1.29612263
+H      1.82329853     -1.86181524      1.49413183
+H      2.44834143     -0.39996882      2.31733921
+H      2.77393076      1.22449899     -1.07165090
+H      4.31379317      2.93426020     -0.53022726
+H      5.95610598      2.13112476     -0.26377637
+H      5.20627496      1.62158173      2.17594731
+H      3.58529706      2.43619362      1.77835454 
+
+15
+-1495.7478453043911 11.595734 11.48114 -8.2854 -6.4113 -9.077 1.0265 -0.6011 0.056 8.50735 0.62439 4.2376431024 4.979463739 0.337672012
+C      3.21936930     -1.16611825      0.70190455
+C      2.58818814      0.12562513      0.22735087
+O      1.37785739      0.22931753      0.00258683
+N      3.42480517      1.21745917      0.01571719
+N      2.83069436      2.38371018     -0.53966359
+C      4.81034300      1.23092943      0.18805798
+C      5.61862120      2.25679877     -0.12775199
+H      3.71116151     -1.04857451      1.67778084
+H      3.96459810     -1.53997662     -0.01388851
+H      2.41546157     -1.90251117      0.79624456
+H      2.76151125      3.07103844      0.22356186
+H      1.86420101      2.07962324     -0.73165099
+H      5.20154747      0.32318200      0.64309269
+H      5.24174123      3.16358447     -0.59583831
+H      6.68560930      2.16890218      0.06341602 
+
+14
+-1416.5230034226176 11.079959 10.95586 -8.4172 -6.5204 -9.239 0.7793 -0.845 -0.177 8.72092 0.88917 4.3304466234 4.9398626106 0.33059694
+C      3.11595320     -1.36951297     -0.12949814
+C      2.63246836      0.05683559     -0.19640638
+O      1.45096512      0.38174366     -0.40730683
+N      3.54748599      1.07012613     -0.01412873
+O      2.99881394      2.35040851     -0.09524814
+C      4.91182772      0.99734129      0.23385365
+C      5.71964145      2.05713611      0.39721004
+H      3.87051876     -1.57779738     -0.90053663
+H      2.24902676     -2.01613226     -0.29736245
+H      3.55067103     -1.60398841      0.85198297
+H      2.04736670      2.09187681     -0.27283485
+H      5.27498401     -0.02755896      0.28480776
+H      5.34522790      3.07649580      0.34411020
+H      6.77710908      1.89193607      0.58778753 
+
+16
+-1585.6683690906289 10.176767 11.26127 -9.5097 -7.1649 -10.739 0.9199 -0.1499 0.126 10.33272 0.49163 4.4173360122 8.8878000254 0.144084484
+C      1.42433944      2.41561080     -1.06883359
+C      2.84422077      1.91460062     -1.16743859
+O      3.33345783      1.37323944     -2.14129053
+O      3.50763294      2.13569254      0.00731252
+C      4.89133625      1.67304991      0.06760713
+C      5.85015827      2.82184162     -0.18970105
+N      5.76311879      3.82336116      0.88110618
+H      1.40284948      3.45075421     -0.70468571
+H      0.86922871      1.80299057     -0.34483561
+H      0.94548818      2.34688026     -2.04982403
+H      5.02793912      0.87270473     -0.67074384
+H      5.01511738      1.29219984      1.09030328
+H      5.66332916      3.21250153     -1.20973394
+H      6.86909802      2.40118647     -0.18829310
+H      4.82983191      4.24311974      0.87702041
+H      6.42104375      4.58410655      0.70101048 
+
+16
+-1602.6580672339778 10.347651 11.15727 -8.7203 -6.5992 -10.005 0.9122 0.0088 3.064 9.38377 -2.87971 7.821718803 11.1074469918 0.150265322
+C      0.75790840      0.01305113     -0.02197187
+N      2.21501411      0.03039973      0.12480233
+C      3.07658975     -0.82433866     -0.69483153
+C      2.54809132     -1.40497398     -1.99043327
+O      1.96930807     -0.31717796     -2.73233895
+C      2.54845549      0.91662563     -2.27277389
+C      3.07691307      0.66321184     -0.87581759
+H      0.36341736      0.95705748      0.38065862
+H      0.36221836     -0.80175491      0.60121238
+H      0.38842772     -0.11587229     -1.05349428
+H      3.87048988     -1.36215603     -0.16840316
+H      3.38386668     -1.87322133     -2.54710253
+H      1.75601404     -2.16032216     -1.85797095
+H      3.38420689      1.23763358     -2.92556580
+H      1.75648943      1.68182247     -2.32512283
+H      3.87099944      1.31130547     -0.49365669 
+
+16
+-1583.4864008876864 10.660624 12.00862 -9.2166 -7.1231 -10.716 0.9766 0.0869 2.694 10.00757 -2.32475 8.389946641 11.2488406262 0.204243618
+C      1.22338187     -0.05821559      0.03964215
+N      2.67336103     -0.12959226     -0.12732047
+C      3.14164659     -0.68927478     -1.39937785
+C      3.24565420      0.77623989     -1.12968775
+C      4.51290742      1.48077710     -0.75101108
+C      5.85524871      0.92801318     -0.99207231
+O      5.32991375      1.96832555     -1.84008398
+H      0.97963544      0.74317863      0.75202704
+H      0.86186223     -1.00970177      0.45582930
+H      0.68257213      0.13799702     -0.90860714
+H      2.38703426     -1.00092095     -2.13024008
+H      4.02215804     -1.33232552     -1.33585802
+H      2.53581992      1.40861489     -1.68052410
+H      4.40374685      2.19801534      0.07387553
+H      5.95857961     -0.05063262     -1.47132155
+H      6.68293796      1.22869188     -0.34071969 
+
+18
+-1738.0552057927985 11.221777 12.3173 -9.254 -7.1647 -10.492 0.8771 -0.0101 2.896 9.8621 -2.5804 8.3835489634 11.589033413 0.091315631
+C      1.02474169     -0.29344500      0.01323286
+N      2.48406489     -0.36141616     -0.06993151
+C      3.02947364     -0.68166638     -1.39670527
+C      3.13736009      0.70822841     -0.85968269
+C      4.42592324      1.27945245     -0.29807098
+C      4.24492285      1.81319823      1.12687785
+O      3.99507387      0.76370918      2.05994822
+H      0.74069705      0.35408044      0.85522142
+H      0.62680865     -1.30087094      0.20168766
+H      0.55715984      0.10270598     -0.90931960
+H      2.30978026     -0.86322486     -2.20094533
+H      3.91059972     -1.32791072     -1.40140294
+H      2.44773445      1.43919454     -1.30040471
+H      4.77984439      2.08583225     -0.96111481
+H      5.20842798      0.50402146     -0.28055519
+H      3.42558934      2.56247221      1.14223769
+H      5.16111708      2.32839035      1.45683721
+H      3.43280097      0.11368856      1.57702011 
+
+18
+-1736.1224142267909 11.22207 12.39766 -8.8177 -6.7615 -10.276 0.8566 -0.1127 2.768 9.60347 -2.41974 7.9653193882 11.5642610102 0.137847871
+C      1.22044083      0.00302789     -0.09080491
+N      2.67943259      0.05426970     -0.13669749
+C      3.33531232     -0.57781682     -1.28649219
+C      3.34475362      0.91592855     -1.13552550
+C      2.56006958      1.78145128     -2.10048672
+C      4.60597583      1.56795342     -0.58555050
+O      5.57072287      1.87084203     -1.60233178
+H      0.84479243      0.86624098      0.47776630
+H      0.92515865     -0.90926865      0.44779441
+H      0.72316593     -0.00921536     -1.07888189
+H      2.69481997     -0.98655523     -2.07710386
+H      4.22226802     -1.17837382     -1.05786203
+H      1.75117829      1.23788342     -2.60320216
+H      3.24023643      2.16883217     -2.87191918
+H      2.12489795      2.64850859     -1.57825967
+H      5.02668520      0.91765532      0.20080720
+H      4.35655688      2.53664752     -0.12378024
+H      5.84717262      1.02519901     -1.99859982 
+
+16
+-1612.288726123218 10.916345 11.93142 -9.0751 -7.0677 -10.556 1.0724 -0.6854 0.15 9.58428 0.56666 3.7335532222 11.6394213234 0.124285481
+C      0.90109490      0.17614819     -0.42349029
+N      2.28934089      0.38472785     -0.01281163
+C      3.24937277     -0.59109056     -0.49774362
+C      3.20536652      0.79632943     -1.09159652
+C      4.26729072      1.82168771     -0.80912917
+C      4.67224088      2.04528420      0.63006563
+O      4.77722874      2.43106068     -1.74269758
+H      0.37722052      1.14176452     -0.42763973
+H      0.41054676     -0.48179225      0.30751922
+H      0.80706101     -0.28194204     -1.42775028
+H      2.89361386     -1.39689106     -1.14983610
+H      4.05000950     -0.86518440      0.19315051
+H      2.80668561      0.85975315     -2.11087055
+H      3.78222634      2.17035640      1.26207639
+H      5.33332394      2.91595869      0.69109039
+H      5.20598703      1.16233951      1.01498330 
+
+16
+-1604.5199690431446 10.874872 12.0955 -9.1156 -7.0186 -10.65 1.1961 -0.8536 -0.102 10.16771 0.73276 3.6760485154 11.4814507608 0.103552733
+C      1.07128437     -0.41263381     -0.11480997
+N      2.52746252     -0.38752703     -0.23440086
+C      3.04940695     -0.42199988     -1.60684661
+C      3.09850553      0.83711199     -0.80626590
+C      4.37518495      1.34270591     -0.18295971
+C      5.16280831      2.31046602     -1.03067587
+O      4.81068722      2.74768431     -2.11112954
+H      0.77751587      0.05160741      0.83802876
+H      0.72873544     -1.45767067     -0.10710669
+H      0.55292281      0.11893831     -0.93851161
+H      2.32888715     -0.45783774     -2.43068452
+H      3.95552862     -1.01528421     -1.75476782
+H      2.39155837      1.61495814     -1.11726025
+H      5.03823986      0.50195060      0.08684937
+H      4.17312086      1.85447623      0.77796676
+H      6.13885117      2.62891444     -0.57734551 
+
+15
+-1450.8825146134407 11.240568 11.88259 -9.0579 -7.0066 -10.34 1.3115 -0.3542 0.375 9.89116 0.23118 5.4858969546 6.3804931404 0.253489807
+C      1.06119562      0.32435730     -0.31457404
+N      2.42566047     -0.05340420      0.04671341
+C      3.06569613     -1.04134022     -0.81400504
+C      3.47265404      0.40445177     -0.88758731
+C      4.72723745      0.88930971     -0.28708972
+N      5.38410677      1.82110961     -0.87675005
+O      6.56202396      2.14201306     -0.15797072
+H      0.85600937      1.33600728      0.06238920
+H      0.35974287     -0.37286071      0.16600075
+H      0.87564488      0.31024713     -1.40756333
+H      2.50406273     -1.42578558     -1.67306202
+H      3.71036366     -1.76709041     -0.31168777
+H      3.15152453      0.94844826     -1.78275934
+H      5.06992192      0.44332501      0.65667182
+H      6.94778558      2.84501200     -0.71133583 
+
+15
+-1506.5365224259085 10.391189 11.26882 -9.1621 -7.1595 -10.645 0.8709 -0.0979 0.473 9.64019 0.17137 4.3428452234 11.9832469 0.155931793
+C      1.03171410      0.20471107     -0.28652693
+N      2.46558213      0.37005457     -0.04756051
+C      3.34261003     -0.61335079     -0.68052728
+C      3.26461265      0.79130075     -1.20678149
+C      4.38432194      1.77946602     -0.98022597
+N      4.63650861      2.03342371      0.33876938
+O      5.01429388      2.26361137     -1.91965228
+H      0.53486651      1.17985657     -0.18713420
+H      0.61820910     -0.47519914      0.47160253
+H      0.80403179     -0.20647879     -1.28906135
+H      2.88177610     -1.39261536     -1.29691605
+H      4.21388849     -0.92208791     -0.09876605
+H      2.76300341      0.92061522     -2.17091717
+H      3.95121068      1.71863267      1.02318132
+H      5.31806058      2.74689004      0.57288607 
+
+14
+-1438.655427069765 9.564153 10.50021 -9.8281 -7.751 -11.162 0.9853 -0.32 0.065 10.24603 0.54349 4.308141542 11.4200156978 0.211839096
+C      1.14373905      0.16119268     -0.12318222
+N      2.60556994      0.23183151     -0.08263294
+C      3.34288941     -0.65289219     -0.98288986
+C      3.27899349      0.82438598     -1.24749069
+C      4.46002964      1.70526985     -0.91740550
+O      4.75920685      1.71526727      0.40547910
+O      5.08602371      2.32860452     -1.74864092
+H      0.72902520      1.12072315      0.21395934
+H      0.80520407     -0.62681836      0.56332673
+H      0.75467628     -0.05920457     -1.13446951
+H      2.76418828     -1.29218577     -1.65701380
+H      4.25775431     -1.09340368     -0.58088304
+H      2.68165711      1.14974638     -2.10347858
+H      4.03177265      1.17957323      0.82525191 
+
+16
+-1601.573257246609 10.247966 11.18321 -8.3866 -6.3336 -9.89 0.8956 -0.0109 2.906 9.13543 -2.69432 7.6623348 10.864335243 0.25249045
+C      1.07417187      0.04153643      0.39642150
+N      2.49502052      0.00663022      0.03473009
+C      2.83654186     -1.26901600     -0.65218798
+C      2.80764466     -0.99252660     -2.15184908
+O      3.99232245     -0.29909520     -2.61494006
+C      2.79989872      0.47081902     -2.32517515
+C      2.82357426      1.09021064     -0.93156955
+H      0.85048065      0.99274264      0.90014164
+H      0.86037294     -0.76798082      1.10884666
+H      0.37893376     -0.06461210     -0.46606361
+H      2.12818207     -2.05737081     -0.36145658
+H      3.85024207     -1.59356856     -0.36525200
+H      2.36288764     -1.69016699     -2.86740237
+H      2.34871991      0.97727528     -3.18334586
+H      3.83319395      1.48398069     -0.72945857
+H      2.10614268      1.91679217     -0.83228907 
+
+18
+-1738.9636191934785 11.360715 12.46537 -8.5289 -6.4897 -9.931 0.9533 -0.0432 2.983 9.14518 -2.68014 7.8639484346 10.1737580202 0.115456548
+C      1.04186010     -0.01100550      0.00974552
+N      2.49027399     -0.00521300      0.09979517
+C      3.12685818      1.04781483      0.92689140
+C      4.16618521      0.00650133      1.40363486
+C      3.14479895     -1.05705652      0.92071041
+C      3.63821166     -2.26771980      0.14055322
+O      4.28621490     -3.23495711      0.97603975
+H      0.70293283     -0.90755740     -0.52939990
+H      0.70211002      0.86689170     -0.55970406
+H      0.54630652      0.00588859      1.00641246
+H      2.47695653      1.38400580      1.76146939
+H      3.48074390      1.92847566      0.36863676
+H      5.07820686      0.01570800      0.78914088
+H      4.42915194      0.01195609      2.46731294
+H      2.50414717     -1.39710195      1.76324836
+H      4.29675087     -1.92692121     -0.67994646
+H      2.78510090     -2.79439341     -0.31458773
+H      5.09505946     -2.82434609      1.32886704 
+
+16
+-1606.4612048526944 10.955109 11.87586 -8.848 -6.7743 -10.272 1.0332 -0.8851 0.057 9.92415 0.58695 3.713752658 8.0759644946 0.17781966
+C      0.98480307     -0.13453450      0.08451815
+N      2.43349477     -0.08649744      0.08681147
+C      3.09733030      1.04974705      0.75962124
+C      4.20628087      0.07538795      1.26394956
+C      3.16284223     -1.03815174      0.95031951
+C      5.39731286      0.03218379      0.34753073
+O      6.55364379      0.15563486      0.70985475
+H      0.64726325     -1.07942616     -0.36535735
+H      0.58632661      0.68854719     -0.52639738
+H      0.54835754     -0.05705341      1.10516630
+H      2.52134830      1.45594270      1.61663655
+H      3.39565452      1.87858342      0.09741414
+H      4.53283113      0.18458367      2.30412909
+H      3.51570984     -1.95222674      0.44549445
+H      2.60701943     -1.31895827      1.86840163
+H      5.14334149     -0.12603240     -0.73335284 
+
+16
+-1607.297698989784 10.91426 11.86241 -8.9059 -6.8323 -10.284 0.8013 -1.1015 0.014 9.96371 0.64577 3.6686713484 8.0659960202 0.156362253
+C      0.93530495     -0.07204863      0.20252523
+N      2.38406426     -0.01959642      0.11990829
+C      3.09058829      1.05776124      0.85340331
+C      4.21405628      0.05018297      1.18446744
+C      3.15880420     -1.05051507      0.84479269
+C      3.66502342     -2.20062255      0.00620374
+O      3.95178490     -3.29931732      0.44488089
+H      0.56638513     -0.98044351     -0.29541803
+H      0.50638481      0.79499686     -0.32051617
+H      0.56110581     -0.06972922      1.24929598
+H      2.54949599      1.38064027      1.76610683
+H      3.34263177      1.94288192      0.24945398
+H      5.03597618      0.07756427      0.45710159
+H      4.61434710      0.03630150      2.20300749
+H      2.66773193     -1.43893335      1.75975931
+H      3.79984498     -1.94074295     -1.07686257 
+
+14
+-1502.7312257171536 10.811592 11.14254 -7.4508 -5.4849 -7.849 0.6515 -0.3716 1.003 7.37718 -0.41971 4.6304679462 6.1721222688 0.466267329
+C      0.98150108     -0.01973612     -0.00917728
+N      2.43006894     -0.01717565     -0.00089588
+C      3.25135387      1.11011889      0.00511029
+C      4.56048140      0.67793282      0.01136600
+C      4.55895936     -0.75040022      0.00889116
+C      3.23386649     -1.13943223      0.00118036
+O      2.72928333     -2.41288073     -0.00278960
+H      0.62911180      1.01743395     -0.00147155
+H      0.57136640     -0.51917928      0.88377819
+H      0.58086252     -0.50314961     -0.91522100
+H      2.81669862      2.10375316      0.00423443
+H      5.43628911      1.31957719      0.01714360
+H      5.41288340     -1.41901149      0.01230538
+H      1.75723369     -2.38096068     -0.01364409 
+
+14
+-1514.1507464003412 10.531723 10.97442 -8.2352 -6.2626 -8.877 1.2494 -0.3787 0.403 8.38386 0.27443 4.3816280442 11.8866990018 0.21420674
+C      1.07772682     -0.00063362     -0.16635691
+N      2.50535060     -0.02056711      0.08038484
+C      3.30824991     -1.17015010      0.20567393
+C      4.59565219     -0.85253523      0.43962378
+C      4.70772894      0.64454209      0.48364060
+C      3.27447717      1.13397047      0.23752459
+O      2.85384891      2.28328660      0.18315325
+H      0.77987237      1.05223422     -0.24400429
+H      0.52343573     -0.47090832      0.65989660
+H      0.83123304     -0.51640460     -1.10621604
+H      2.84746751     -2.15084521      0.10698882
+H      5.41079532     -1.55698965      0.57180946
+H      5.06388030      1.03525204      1.44989176
+H      5.37221118      1.06317843     -0.28856040 
+
+14
+-1514.6139979199427 10.531982 10.93492 -8.9368 -7.0405 -9.987 0.6105 -1.0411 -0.269 9.09287 0.76494 4.2041916796 5.7023765106 0.387412309
+C      1.12176252      0.00926271      0.17222493
+N      2.54309072     -0.00266060     -0.08531658
+C      3.34254186     -1.20311418     -0.19661094
+C      4.72281007     -0.67082062     -0.46322697
+C      4.69565151      0.67001411     -0.49617018
+C      3.30257729      1.14975382     -0.25600778
+O      2.88298382      2.30471732     -0.21221628
+H      0.80844323      1.06081216      0.20136963
+H      0.88278981     -0.46327992      1.13868869
+H      0.56297026     -0.50948698     -0.62353761
+H      2.99048496     -1.85589495     -1.01819319
+H      3.30936538     -1.80554583      0.73135876
+H      5.58384642     -1.32227664     -0.60183257
+H      5.52032215      1.35775960     -0.66587992 
+
+16
+-1655.5283621503088 10.634716 11.48812 -8.8797 -6.9396 -9.999 0.7817 -0.1546 0.692 9.45846 0.01952 4.3885712602 12.6569992226 0.18548433
+C      1.12092771     -0.03222053      0.22266378
+N      2.50751016      0.00994427     -0.18684854
+C      3.29611867      1.23473311     -0.14715535
+C      4.62098071      0.82592699     -0.82366347
+C      4.70888338     -0.68703429     -0.58441773
+C      3.26040409     -1.13140326     -0.36932014
+O      2.83385036     -2.28236588     -0.33727834
+H      0.78573865     -1.07429235      0.14786624
+H      0.49964757      0.60144622     -0.42880017
+H      1.00095591      0.31070720      1.26449648
+H      3.44986645      1.56607608      0.89840745
+H      2.78113583      2.04802282     -0.68238860
+H      4.56030298      1.03392211     -1.90153776
+H      5.47483493      1.38542155     -0.42137977
+H      5.16203594     -1.25165184     -1.40824679
+H      5.26952666     -0.93576220      0.33102272 
+
+14
+-1503.2185915769112 10.917244 11.30516 -7.6435 -5.7172 -8.009 0.8139 -0.065 0.935 7.47891 -0.37908 4.728702054 6.0401515704 0.390474231
+C      0.97257581      0.01798190     -0.00879618
+N      2.42282688     -0.00364217      0.00133081
+C      3.24452173      1.09650410      0.00423490
+C      4.56383973      0.66908128      0.01040676
+C      4.52919141     -0.74995052      0.01080742
+O      5.66518992     -1.52737734      0.01678102
+C      3.20040867     -1.15354200      0.00493227
+H      0.63369435      1.06026440      0.00076562
+H      0.56498690     -0.48953558      0.87838421
+H      0.57658204     -0.46979870     -0.91227818
+H      2.82803936      2.09883392      0.00186842
+H      5.45064017      1.29405219      0.01476069
+H      5.39860786     -2.46256467      0.01644094
+H      2.74953517     -2.14074681      0.00332129 
+
+18
+-1743.0331440268708 11.368429 12.48742 -8.6457 -6.5963 -10.022 0.8886 -0.0382 2.841 9.23153 -2.53702 7.8462928282 12.8898077348 0.129596621
+C      1.02370085     -0.00566943      0.04465587
+N      2.47274129      0.01538427      0.08641648
+C      3.13514445      1.04579882      0.92490389
+C      4.24590330      0.00182598      1.24293178
+C      4.85223630     -0.03795319      2.62740014
+O      5.32542254      0.05181949      0.30544854
+C      3.16761604     -1.05083866      0.85049793
+H      0.68041927     -0.88186716     -0.52477545
+H      0.65271558      0.89495826     -0.46624396
+H      0.56488012     -0.04630019      1.05819101
+H      2.54841838      1.30667738      1.83102018
+H      3.43851765      1.96492679      0.39908207
+H      4.07014601     -0.07726811      3.39682771
+H      5.47023086      0.85549252      2.79708071
+H      5.49741355     -0.92189803      2.73400537
+H      4.91733670      0.07676572     -0.58048520
+H      3.49859334     -1.92060186      0.26119618
+H      2.59030377     -1.39322259      1.73527674 
+
+18
+-1737.4047402718184 11.360538 12.44872 -8.5215 -6.4496 -9.91 0.9149 -0.0565 2.959 9.14798 -2.6655 7.867965581 10.7214661752 0.087095104
+C      0.97990857      0.02849606      0.07085769
+N      2.42891395      0.03931122      0.08344433
+C      3.11157092      1.01220303      0.96604763
+C      4.18320096     -0.06570771      1.28279700
+C      5.43990446      0.01042177      0.42624171
+O      6.31576548      1.07810049      0.81058744
+C      3.13015383     -1.07818770      0.75919667
+H      0.61994002     -0.80408842     -0.55156140
+H      0.60484590      0.96363812     -0.37101162
+H      0.53796180     -0.07911117      1.08734851
+H      2.51823874      1.27516861      1.86606651
+H      3.42860432      1.94617904      0.46752132
+H      4.45844174     -0.15918055      2.34151586
+H      5.15959757      0.08708528     -0.64091106
+H      6.03121949     -0.91003751      0.55214349
+H      5.85678346      1.91499907      0.62078190
+H      3.47395147     -1.88338419      0.08812001
+H      2.54140732     -1.52325545      1.58773400 
+
+16
+-1632.5341789665686 10.785878 11.62319 -8.7719 -6.7214 -10.233 1.0464 -0.7515 0.344 9.60317 0.40869 3.7459642208 12.3006634586 0.159441076
+C      1.05071471      0.00943308     -0.07565183
+N      2.48873743     -0.02027358      0.12463088
+C      3.00181244      1.09398175      0.93764486
+C      4.44345111      0.67970066      1.23197716
+C      4.35957048     -0.84636416      1.29724096
+O      5.20970459     -1.60791081      1.71377542
+C      2.98124337     -1.23766154      0.76285123
+H      0.74627691     -0.81617900     -0.73453465
+H      0.76436960      0.95384955     -0.56102938
+H      0.48230661     -0.07896142      0.87774906
+H      2.43453041      1.20397244      1.89118958
+H      2.91289759      2.03879204      0.38228098
+H      5.11472959      0.94021801      0.39787887
+H      4.87231747      1.09046513      2.15431871
+H      3.03647137     -2.09152918      0.07226391
+H      2.36707630     -1.55172297      1.64259424 
+
+18
+-1759.0544579966586 11.209022 12.10136 -8.5827 -6.5411 -9.85 0.9015 -0.0409 3.049 9.05671 -2.76594 7.7663466554 10.741279138 0.133533547
+C      1.17763000     -0.08226778     -0.18847069
+N      2.58711389     -0.12943823      0.16080002
+C      3.07133391      1.07462426      0.85648403
+C      4.41176730      0.63401540      1.48894227
+C      4.43921273     -0.90839278      1.30768926
+O      5.24805710     -1.31030724      0.19567373
+C      2.96394691     -1.22993953      1.05438398
+H      0.88767379     -1.01067435     -0.70047819
+H      0.99018164      0.75688552     -0.87402088
+H      0.52190911      0.04562629      0.70174806
+H      2.35440647      1.38433481      1.64990366
+H      3.16798865      1.91222447      0.14960846
+H      5.28737106      1.07134542      0.99150330
+H      4.45767363      0.91132325      2.55145952
+H      4.85171566     -1.43131463      2.18102365
+H      4.78195869     -0.96945203     -0.59378513
+H      2.82408339     -2.20724729      0.57059176
+H      2.38542606     -1.21482557      2.00869319 
+
+13
+-1373.922274270413 10.376908 10.40832 -8.2638 -6.4242 -9.294 0.7253 -0.8192 -0.364 8.73466 0.90373 4.1378715682 4.6741730112 0.263667336
+C      1.02541167      0.01676400      0.08461064
+N      2.41444882      0.04787905     -0.37005511
+N      3.20070824      1.10350332      0.13986745
+C      4.56442734      0.67370504      0.23741796
+O      5.50433584      1.43795622      0.43892245
+C      4.49515335     -0.76908666      0.02877749
+C      3.20984721     -1.07894646     -0.29888736
+H      0.50361188      0.91562696     -0.26785371
+H      0.95519209     -0.03791424      1.18294509
+H      0.54120555     -0.85973241     -0.36361665
+H      3.03639509      2.00700947     -0.30629525
+H      5.34743003     -1.43762506      0.07015322
+H      2.75165289     -2.04666924     -0.49248624 
+
+15
+-1502.906023106838 10.376706 10.95244 -8.3519 -6.4518 -10.175 0.844 -0.1607 0.472 9.7126 0.20363 4.247822353 6.0666845744 0.100618521
+C      1.01841107     -0.01520615      0.08606560
+N      2.48050892     -0.01092115      0.06400024
+C      3.03313367      1.13618718      0.82755698
+C      4.41355803      0.65502390      1.26102167
+C      4.22597159     -0.85783845      1.38485020
+O      5.00111715     -1.68573771      1.84353771
+N      2.98508652     -1.13804974      0.83300129
+H      0.63822035     -0.88915794     -0.46070788
+H      0.67122385      0.88572517     -0.43824193
+H      0.60727858     -0.02309979      1.11500860
+H      2.40900436      1.34054788      1.72229289
+H      3.03699234      2.02658977      0.18594794
+H      5.17678638      0.82109652      0.48455057
+H      4.77500207      1.09433728      2.19729576
+H      2.88081513     -2.04197677      0.37119035 
+
+12
+-1293.4375988537092 9.736996 9.83851 -8.6416 -6.7789 -9.538 0.5256 -1.1176 -0.731 8.97719 1.28171 4.2639157358 4.5316635028 0.254718309
+C      1.01217713      0.02527001     -0.05258486
+N      2.39094195     -0.03532777      0.40039929
+O      3.12319418      1.12150386      0.06304394
+C      4.49687204      0.71058071     -0.16108672
+O      5.33924391      1.54822949     -0.39431464
+C      4.49267133     -0.72693248     -0.01583925
+C      3.21706798     -1.11469202      0.26346925
+H      0.52635082      0.89768448      0.39927710
+H      0.50859055     -0.88387672      0.29897169
+H      0.94459816      0.08920286     -1.15029361
+H      5.37522125     -1.34888216     -0.10000905
+H      2.80212069     -2.10901025      0.41536687 
+
+13
+-1402.7194527875633 10.014183 10.35177 -7.6852 -5.8063 -8.532 0.8368 -0.041 0.779 8.21406 -0.15284 4.8421244468 5.0765695742 0.154564007
+C      0.97477229      0.00362538     -0.00869761
+N      2.42561748      0.02021913      0.00092502
+C      3.26327498      1.13508845      0.00212521
+C      4.54842940      0.69173083      0.00842963
+N      4.49809252     -0.70082874      0.01058593
+C      3.17862634     -1.16049240      0.00531170
+O      2.76273313     -2.31871384      0.00469550
+H      0.60722530      1.03542864      0.01038794
+H      0.59237567     -0.53530185      0.86911490
+H      0.60101361     -0.49917011     -0.91161922
+H      2.87403618      2.14616828     -0.00074471
+H      5.47921426      1.24432619      0.01216415
+H      5.28459884     -1.33871994      0.01449156 
+
+15
+-1510.848178350368 10.45758 11.2622 -8.8308 -6.7867 -10.113 0.8518 -0.2125 0.606 9.5996 0.12251 4.386500694 5.9307215268 0.134064594
+C      1.04888254      0.00903416      0.48386003
+N      2.40148223     -0.00668413     -0.01915831
+C      3.36955955      1.07172258     -0.27250930
+C      4.37785848     -0.02514312     -0.73573152
+N      4.95352897      0.13524634     -2.05764958
+C      3.20531893     -1.02935059     -0.48099796
+O      3.01110795     -2.22391315     -0.63069981
+H      0.68545846     -1.02663722      0.49412355
+H      0.38741456      0.61183997     -0.15893269
+H      1.00705544      0.41186726      1.50829015
+H      3.65249787      1.64702731      0.62332604
+H      3.06872470      1.75894257     -1.07996194
+H      5.18817308     -0.17404239     -0.00694706
+H      4.22432901      0.06253394     -2.77305373
+H      5.60990824     -0.62664352     -2.24169787 
+
+15
+-1535.3517623090618 10.136697 10.85324 -8.9377 -6.9511 -10.134 0.7909 -0.145 0.744 9.67962 -0.11354 4.7610128056 12.073818673 0.143344252
+C      1.12316765     -0.04587149      0.16731201
+N      2.48016277      0.03238516     -0.33216818
+C      3.27150276      1.24703049     -0.18359286
+C      4.64615238      0.79306881     -0.70368933
+N      4.62799388     -0.62369842     -0.34455559
+C      3.30798504     -1.09121993     -0.30384582
+O      2.95154773     -2.26234992     -0.24415492
+H      0.80002460     -1.09129279      0.09185015
+H      0.45247473      0.58503836     -0.43389800
+H      1.05716108      0.27300242      1.22398505
+H      3.32765672      1.55763317      0.87909952
+H      2.85496223      2.07969630     -0.76889509
+H      4.71562626      0.94464230     -1.79612906
+H      5.47143141      1.32943545     -0.21638438
+H      5.30063077     -1.26126992     -0.76190349 
+
+13
+-1402.7194527875633 10.014183 10.35177 -7.6852 -5.8063 -8.532 0.8368 -0.041 0.779 8.21406 -0.15284 4.8421244468 5.0765695742 0.154564007
+C      0.97477229      0.00362538     -0.00869761
+N      2.42561748      0.02021913      0.00092502
+C      3.26327498      1.13508845      0.00212521
+C      4.54842940      0.69173083      0.00842963
+N      4.49809252     -0.70082874      0.01058593
+C      3.17862634     -1.16049240      0.00531170
+O      2.76273313     -2.31871384      0.00469550
+H      0.60722530      1.03542864      0.01038794
+H      0.59237567     -0.53530185      0.86911490
+H      0.60101361     -0.49917011     -0.91161922
+H      2.87403618      2.14616828     -0.00074471
+H      5.47921426      1.24432619      0.01216415
+H      5.28459884     -1.33871994      0.01449156 
+
+13
+-1373.1895714376626 10.273528 10.42607 -7.746 -5.8148 -8.461 0.676 -0.2438 0.735 7.91448 -0.2577 4.8317468186 8.9523967314 0.262190549
+C      0.96284782      0.02093604     -0.00874791
+N      2.40896730      0.03168005      0.00032066
+C      3.25645767      1.14414028      0.00513652
+C      4.51739586      0.67427260      0.00884017
+O      4.50632558     -0.71187289      0.00598490
+C      3.18064226     -1.13096253     -0.00032291
+N      2.88788600     -2.37627528     -0.00531900
+H      0.59721784      1.05353897     -0.00039953
+H      0.56816431     -0.49651937      0.87984179
+H      0.57823824     -0.47901108     -0.91176712
+H      2.88289382      2.16135592      0.00604735
+H      5.48625912      1.15559523      0.01379045
+H      1.87509419     -2.52005796     -0.00987539 
+
+15
+-1510.609961310934 10.31108 10.93034 -8.7453 -6.7887 -9.655 0.7216 -0.226 1.025 8.88664 -0.46554 5.1705013678 6.1406422234 0.153878923
+C      1.11806593     -0.05399978      0.20265654
+N      2.45984051      0.00770685     -0.34277058
+C      3.22305470      1.24469769     -0.21194921
+C      4.58172524      0.76776126     -0.71865910
+O      4.62587694     -0.62717848     -0.35295370
+C      3.33564478     -1.07551506     -0.17312065
+N      3.13043768     -2.30870046      0.08411486
+H      0.63164168     -0.98625098     -0.11372262
+H      0.52574825      0.77926896     -0.19755560
+H      1.10426766     -0.00263932      1.30802602
+H      3.27323666      1.58801508      0.84119185
+H      2.79869185      2.05040992     -0.82840630
+H      4.65572764      0.85295983     -1.81525710
+H      5.43473294      1.27176519     -0.24841595
+H      2.13582754     -2.49384069      0.23890156 
+
+12
+-1326.984364089798 9.207499 9.67714 -8.4529 -6.4319 -9.07 0.7248 -0.1645 0.238 8.67109 0.39033 4.7776021324 12.4381143382 0.172958981
+C      0.96883130     -0.00194328     -0.00866610
+N      2.42178354      0.02722602      0.00062514
+C      3.26222215      1.14211224      0.00183061
+C      4.52732016      0.67736801      0.00785014
+O      4.52054695     -0.70640253      0.01000379
+C      3.18321505     -1.12952655      0.00467363
+O      2.82236237     -2.28863613      0.00421003
+H      0.59339737      1.02651703      0.00989327
+H      0.59338052     -0.54209788      0.87081952
+H      0.60147945     -0.50705345     -0.91235321
+H      2.88427523      2.15761077     -0.00095487
+H      5.49205591      1.16768576      0.01157803 
+
+14
+-1442.2000929962298 9.735826 10.60186 -9.305 -7.3227 -10.253 0.9352 -0.1834 0.464 9.77668 0.24377 4.4099092508 5.9261464434 0.138096165
+C      1.03247592      0.02393748      0.45263476
+N      2.40133431      0.03522819     -0.00821135
+C      3.37744899      1.12851871     -0.17497656
+C      4.36990861      0.06909279     -0.72119597
+O      4.79463934      0.32432779     -2.04835356
+C      3.19903135     -0.94191306     -0.55733080
+O      3.01757663     -2.11771930     -0.82406997
+H      0.66285275     -1.00613942      0.37347398
+H      0.39858640      0.67886696     -0.16607028
+H      0.96268581      0.34957512      1.50209958
+H      3.66380912      1.62357894      0.76544637
+H      3.08831590      1.87042517     -0.93471343
+H      5.21730320     -0.13488000     -0.04264778
+H      5.02525167     -0.53459938     -2.44753500 
+
+14
+-1464.353220571411 9.367626 10.19658 -9.399 -7.3579 -10.411 0.7135 -0.2426 0.448 9.65917 0.14687 4.8271345394 13.309153184 0.118974189
+C      1.10312414     -0.03618640      0.18743729
+N      2.46502557      0.04638907     -0.30218457
+C      3.25836800      1.25636154     -0.16719378
+C      4.60695724      0.76281512     -0.70590238
+O      4.59179632     -0.66630305     -0.48940174
+C      3.27978063     -1.07342909     -0.31202323
+O      2.95504410     -2.23647315     -0.19764883
+H      0.77705506     -1.07885582      0.09750363
+H      0.44026665      0.60527035     -0.41027527
+H      1.03501260      0.26926482      1.24669087
+H      3.32010164      1.58028267      0.89012547
+H      2.84943151      2.08521891     -0.76369577
+H      4.70496128      0.95059040     -1.78671186
+H      5.47135526      1.18325463     -0.17837984 
+
+18
+-1747.8510779225114 10.972747 11.87396 -7.9571 -5.9184 -9.399 0.9232 -0.0022 3.131 8.65558 -2.97189 7.2804083256 13.3636946254 0.159946763
+C      0.98724856      0.03929396      0.18479513
+N      2.42942224      0.00760304     -0.04451595
+C      2.92078477     -1.27189254     -0.57635114
+C      2.66269659     -1.44466018     -2.07471985
+O      3.22331310     -0.35406449     -2.81935283
+C      2.66544088      0.89199668     -2.37855950
+C      2.92361440      1.10735749     -0.88573620
+H      0.72242974      0.99674690      0.65814038
+H      0.71987369     -0.76512188      0.88643099
+H      0.35034926     -0.07653418     -0.71663936
+H      2.46153645     -2.09728792     -0.00897458
+H      4.01067861     -1.31153019     -0.40468166
+H      3.14718149     -2.35563936     -2.45595921
+H      1.57621546     -1.51835438     -2.28413382
+H      3.15218627      1.67406257     -2.97974181
+H      1.57912296      0.91241388     -2.60031359
+H      4.01369754      1.18679654     -0.72968037
+H      2.46678800      2.05156406     -0.54827663 
+
+13
+-1372.7126861671795 10.062851 10.54626 -8.22 -6.2853 -8.806 0.7534 -0.2019 0.316 8.34245 0.2064 4.6867451916 6.203825489 0.256064231
+C      1.00139703     -0.01021904     -0.00753537
+N      2.45213507      0.03860658      0.00207414
+C      3.24869963      1.15570335      0.00514178
+C      4.55785113      0.68604278      0.01163689
+O      5.74669453      1.37261857      0.01748218
+C      4.44889896     -0.72014194      0.01164591
+N      3.16091109     -1.10593392      0.00577541
+H      0.61236363      1.01373087      0.00078611
+H      0.63635176     -0.54468730      0.87952887
+H      0.64622029     -0.52647290     -0.90942375
+H      2.83628216      2.15957342      0.00284371
+H      5.55998324      2.32672863      0.01662458
+H      5.24623149     -1.45726909      0.01609954 
+
+15
+-1486.2308023516143 10.589682 10.90259 -8.3296 -6.3847 -8.997 0.987 -0.5929 0.45 8.40661 0.14538 4.8860154908 4.8860154908 0.108797829
+C      1.19666135     -0.02882090     -0.28191495
+N      2.64755774     -0.09306604     -0.31505270
+C      3.30714386     -1.23990971      0.33155731
+C      4.73374432     -0.71830343      0.56581936
+O      5.66851282     -1.04603599     -0.48129548
+C      4.43527937      0.76555634      0.60826923
+N      3.28638155      1.06720581      0.08330252
+H      0.78545909     -0.88642335     -0.83121666
+H      0.87523700      0.89644276     -0.77448865
+H      0.79665940     -0.04237449      0.75114310
+H      3.28331859     -2.14109257     -0.29534673
+H      2.82144784     -1.45310014      1.30461769
+H      5.18525820     -1.12329423      1.48043505
+H      5.39457259     -0.55431232     -1.27767459
+H      5.13738629      1.54873826      0.88978551 
+
+15
+-1485.1889347673641 10.418903 10.86181 -7.9788 -6.0158 -9.071 0.9195 -0.0911 0.677 8.52165 -0.12227 5.065262051 10.045655685 0.110235955
+C      1.00064332     -0.03986181     -0.17599447
+N      2.43044914      0.09163273     -0.43345950
+C      3.05702030      1.21604112      0.25465589
+C      4.52555773      1.25391530     -0.13772863
+O      5.16538711     -0.00550529      0.16667853
+C      4.33600519     -1.09258454      0.06417996
+N      3.08026077     -1.12661240     -0.20167757
+H      0.49052251      0.86587316     -0.53259074
+H      0.77098972     -0.18361164      0.89868750
+H      0.62536057     -0.90614221     -0.73336918
+H      2.56250106      2.15095964     -0.04848247
+H      2.96768957      1.11616328      1.35760684
+H      5.07488140      2.01963939      0.42660954
+H      4.63205781      1.44961179     -1.21570008
+H      4.87374380     -2.02686852      0.22555436 
+
+13
+-1388.9396030991174 10.053557 10.28511 -8.9654 -7.1118 -9.901 0.442 -1.231 -0.457 9.11322 1.03787 3.816599045 10.6002326644 0.214125481
+C      1.05994355      0.00174196     -0.17153580
+N      2.48719356     -0.00416447      0.06353259
+C      3.29937360     -1.18596615      0.29959651
+C      4.72175188     -0.56259236      0.42233199
+O      5.73966570     -1.19501633      0.63335668
+N      4.60777209      0.83168548      0.24835204
+C      3.32933868      1.05826386      0.04897719
+H      0.80170720     -0.58509770     -1.06725712
+H      0.72662548      1.03625154     -0.32479010
+H      0.51558594     -0.41598398      0.68930424
+H      3.25286329     -1.89625763     -0.53961000
+H      3.01753973     -1.70801314      1.22609891
+H      2.91913930      2.05702890     -0.12382713 
+
+15
+-1470.5156448820198 10.445789 10.7948 -8.0219 -6.0934 -9.266 0.7277 -0.2589 0.697 8.50256 -0.10242 5.3175859596 9.6932130814 0.13924256
+C      0.95754848     -0.05626105     -0.08485055
+N      2.40176175      0.05286994     -0.16543177
+C      3.02888737      1.28109022      0.29440256
+C      4.50342139      1.19964993     -0.08483332
+O      5.10897879      0.02467384      0.45955966
+N      4.45688555     -1.19449656      0.06234295
+C      3.18763368     -1.07603155     -0.18079811
+H      0.48845898      0.77904335     -0.62659691
+H      0.59103690     -0.04388887      0.95867256
+H      0.63296963     -0.99391491     -0.55413319
+H      2.54725604      2.14227482     -0.20027681
+H      2.92304492      1.40880943      1.38797115
+H      5.06899520      2.04296137      0.33389120
+H      4.61011898      1.20123423     -1.18501588
+H      2.68836235     -2.00610420     -0.46525355 
+
+13
+-1381.7919965105948 9.948171 10.28877 -7.9631 -5.9775 -8.172 0.4978 -0.5726 0.693 7.75345 -0.00995999999998 4.5232696506 6.5399391364 0.322238061
+C      0.96675863     -0.00806549     -0.00882209
+N      2.41667581     -0.02492969     -0.00114158
+C      3.27667232      1.06268308      0.00525168
+N      4.53901273      0.69047107      0.01106876
+C      4.52938601     -0.69233540      0.00818737
+C      3.22880218     -1.14668407      0.00060425
+O      2.75343414     -2.42677677     -0.00367101
+H      0.62924669      1.03440748     -0.00160109
+H      0.55496337     -0.50281912      0.88463741
+H      0.56409516     -0.48787902     -0.91453107
+H      2.89877356      2.08187153      0.00520450
+H      5.43910501     -1.28361619      0.01178112
+H      1.78054438     -2.42356742     -0.01305826 
+
+13
+-1394.441512805509 9.652263 10.15639 -9.1498 -7.2567 -10.025 0.9472 -0.7965 -0.021 9.33196 0.38091 4.3128902058 8.1161111614 0.252384882
+C      1.07129659     -0.00647987     -0.16908095
+N      2.49905469     -0.00358743      0.08868496
+C      3.34343831     -1.10612938      0.24229211
+N      4.58505568     -0.85086183      0.46931686
+C      4.67753251      0.61230343      0.48805760
+C      3.27261014      1.15928722      0.23223455
+O      2.86249637      2.30704878      0.15888098
+H      0.76233342      1.04189522     -0.26661193
+H      0.51820311     -0.46731652      0.66162053
+H      0.83936220     -0.53880550     -1.10207877
+H      2.92971566     -2.11457163      0.16498445
+H      5.05998027      0.96792127      1.45701726
+H      5.37753103      0.97019623     -0.28232766 
+
+13
+-1386.7692363280835 10.061978 10.48483 -8.0481 -6.05 -8.222 0.6876 -0.2061 0.639 7.75593 0.000819999999976 4.5518236264 6.3722728686 0.322010398
+C      0.95876940      0.03236716     -0.00858796
+N      2.40993811     -0.02674745      0.00030965
+C      3.27607207      1.02832014      0.00368403
+N      4.54595884      0.64161372      0.00982239
+C      4.49448722     -0.72008928      0.01018038
+O      5.67119717     -1.41544445      0.01633180
+C      3.18754609     -1.18148028      0.00420628
+H      0.64965225      1.08400850     -0.00048244
+H      0.54288539     -0.46346140      0.87999362
+H      0.55373137     -0.44689080     -0.91124522
+H      2.92723233      2.05776084      0.00157403
+H      5.46492315     -2.36583450      0.01627052
+H      2.74817661     -2.17267219      0.00278293 
+
+13
+-1375.1003198755088 9.964345 10.38736 -8.38 -6.4572 -8.925 0.6303 -0.4433 0.407 8.24643 0.13745 4.9090520896 6.394949908 0.330081614
+C      0.97818762      0.00550658     -0.00451263
+N      2.42419713     -0.05625781     -0.00437882
+N      3.17100799      1.09418625     -0.00986930
+C      4.43662248      0.65830393     -0.01020821
+C      4.53388322     -0.75110143     -0.00569171
+C      3.21266096     -1.17082463     -0.00223457
+O      2.72757814     -2.44441606      0.00281130
+H      0.70725907      1.06593768      0.00574628
+H      0.55439504     -0.47315591      0.89239119
+H      0.55433511     -0.45632247     -0.91020005
+H      5.24538420      1.38457758     -0.01376780
+H      5.41707140     -1.37907309     -0.00473191
+H      1.75421763     -2.42623061      0.00238623 
+
+13
+-1378.8976803412104 9.83175 10.23075 -8.7727 -6.8859 -9.522 0.7378 -1.0375 -0.147 8.93794 0.71082 4.3996308114 9.3790325574 0.180555282
+C      1.09099967     -0.01340583     -0.12681843
+N      2.51593701      0.03133552      0.11755776
+N      3.23689266     -1.14584976      0.28417847
+C      4.47448322     -0.81927853      0.48966767
+C      4.70169824      0.65655511      0.47935851
+C      3.28760483      1.18374679      0.21476367
+O      2.88860602      2.33602775      0.10709445
+H      0.75493165      1.02426957     -0.23680504
+H      0.56707951     -0.48489458      0.71617561
+H      0.87397932     -0.57340306     -1.04672043
+H      5.21818569     -1.59917951      0.64593407
+H      5.08865584      1.04944916      1.43160615
+H      5.39236633      0.99052735     -0.30950246 
+
+15
+-1506.0969114088907 10.190887 10.8625 -8.5096 -6.5641 -9.863 0.7438 -0.246 0.593 9.5951 0.09906 4.4268457384 5.7258718576 0.123368149
+C      1.12706267     -0.00186229      0.14050742
+N      2.55550148     -0.03649017     -0.05882270
+N      3.28068484      1.19636850     -0.15773817
+C      4.51297978      0.79605475     -0.89396726
+C      4.73313347     -0.67979786     -0.55880620
+C      3.30374161     -1.16762148     -0.28589861
+O      2.88237574     -2.32122958     -0.28371445
+H      0.77111225     -1.03687549      0.06596493
+H      0.64825428      0.62105769     -0.62893542
+H      0.86733555      0.39693169      1.13440640
+H      3.55977640      1.44372550      0.80431204
+H      4.31693456      0.92177093     -1.97022844
+H      5.33642719      1.46309642     -0.60923966
+H      5.18239670     -1.26781268     -1.36722285
+H      5.33712346     -0.82882595      0.35126294 
+
+13
+-1375.1515822316057 10.163442 10.27706 -8.3171 -6.488 -9.427 0.9294 -0.7009 -0.342 8.91885 0.87046 4.1702443128 4.8504067116 0.238423135
+C      0.99027444      0.05084213      0.06511496
+N      2.40486247      0.05237496     -0.25394475
+N      3.21160830      1.09020177      0.24584872
+C      4.51404935      0.60611460      0.23875196
+C      4.53727040     -0.72232317     -0.04230661
+C      3.16473368     -1.14925530     -0.31001563
+O      2.67475277     -2.25861450     -0.52265668
+H      0.45442685      0.82691015     -0.49969030
+H      0.81975129      0.19176056      1.14385816
+H      0.61847712     -0.93642309     -0.23723860
+H      3.04976873      1.98537971     -0.22467756
+H      5.32600630      1.29590412      0.45466880
+H      5.39233828     -1.38823194     -0.03082247 
+
+13
+-1340.0848086257652 10.385817 10.37042 -8.2606 -6.4204 -9.246 0.8752 -0.7773 -0.221 8.67377 0.68938 4.6713337318 5.1290900438 0.343157686
+C      1.04091052      0.09537519     -0.09076529
+N      2.36966765     -0.06640825      0.47673601
+O      3.17151331      1.10558128      0.14548757
+C      4.41200268      0.61497818     -0.12428244
+C      4.48276780     -0.73001664     -0.10441134
+C      3.14927512     -1.23126485      0.18720451
+N      2.77158429     -2.46513363      0.21605670
+H      0.58926508      1.01132849      0.30737204
+H      0.43613225     -0.75587351      0.24433397
+H      1.05219962      0.12474737     -1.19308458
+H      5.16188259      1.38289358     -0.29866658
+H      5.34643190     -1.35438157     -0.29978211
+H      1.77454718     -2.55583565      0.44606153 
+
+15
+-1471.5029242857995 10.433537 10.93591 -8.3437 -6.4595 -9.869 1.0183 -0.2052 0.825 9.14897 -0.20448 4.946049512 8.6448246612 0.157254773
+C      1.20495262      0.02435619      0.12043500
+N      2.63217365     -0.11550464      0.33829391
+O      3.32229428      1.13117108      0.03598518
+C      4.36858659      0.78002285     -0.90316905
+C      4.72276522     -0.65663059     -0.55278246
+C      3.36223854     -1.19859711     -0.15520425
+N      3.02330111     -2.43454188     -0.25650349
+H      0.71830091     -0.90678054      0.43805397
+H      0.95641313      0.22637057     -0.93583966
+H      0.82429799      0.83692133      0.75058306
+H      3.98828223      0.85822734     -1.93901967
+H      5.17598011      1.50794731     -0.75205918
+H      5.13914056     -1.24082005     -1.37987643
+H      5.40899529     -0.70932086      0.30638767
+H      2.06080777     -2.59294100      0.07109540 
+
+12
+-1290.4732737645297 9.379573 9.69319 -8.9266 -7.07 -10.254 0.7298 -0.9848 -0.708 9.64759 1.20504 4.0873720704 5.349437963 0.299640566
+C      1.00310906      0.08443961     -0.03968939
+N      2.39566540     -0.01416487      0.33030707
+O      3.19035515      1.08829110     -0.09585126
+C      4.45099424      0.58271816     -0.21088270
+C      4.51988060     -0.74499130      0.02020380
+C      3.15852503     -1.20643488      0.28923693
+O      2.68250792     -2.32457260      0.47274267
+H      0.51300167      0.89607991      0.51197626
+H      0.56231704     -0.87732149      0.25179028
+H      0.87607175      0.22995564     -1.12388951
+H      5.20069387      1.33125222     -0.45438032
+H      5.39463826     -1.38277149     -0.02160384 
+
+14
+-1421.7905146852115 9.615961 10.32829 -8.6555 -6.7272 -10.474 1.1081 -0.0663 0.287 9.86042 0.39027 4.2848693698 12.754005869 0.208781609
+C      1.13660362      0.00538992      0.11494221
+N      2.45975790     -0.08227860     -0.44911840
+O      3.20181166      1.14882094     -0.36208726
+C      4.47442337      0.78946237     -0.96007090
+C      4.71598226     -0.64843502     -0.52089169
+C      3.29101062     -1.17984578     -0.34797838
+O      2.91929716     -2.33551301     -0.17764412
+H      0.75326784     -1.02159231      0.15130936
+H      0.48819973      0.62498741     -0.51748599
+H      1.16959828      0.42300434      1.13418878
+H      4.39146883      0.86250889     -2.05873522
+H      5.20044892      1.52261280     -0.58909229
+H      5.27254708     -1.25503039     -1.24428792
+H      5.21954273     -0.71731156      0.45577182 
+
+15
+-1466.268333629506 10.520039 10.93539 -8.2107 -6.2762 -9.527 1.0179 -0.1896 0.756 8.89716 -0.15798 4.6631382572 12.9688364112 0.154787339
+C      1.04068049      0.00768460      0.15353679
+N      2.41590465      0.07762075     -0.30505625
+O      3.06980408      1.14887568      0.40051733
+C      4.40716135      1.26780138     -0.12319035
+C      5.18072280     -0.01576518      0.15618885
+N      4.44558422     -1.21404537     -0.25106580
+C      3.17710016     -1.08187970     -0.40656748
+H      0.52418334      0.93952954     -0.10884892
+H      0.97343602     -0.15440141      1.24349606
+H      0.55330075     -0.82522551     -0.36843488
+H      4.82949042      2.14156090      0.39197877
+H      4.35677731      1.47341333     -1.20628742
+H      5.41985559     -0.08876812      1.23021910
+H      6.14444597      0.00006977     -0.38102923
+H      2.58154285     -1.93830065     -0.75047658 
+
+18
+-1740.0862294098747 11.432785 12.86625 -8.8832 -6.7251 -10.06 0.9077 -0.0034 3.029 9.3481 -2.70708 8.0023540064 11.0572202632 0.213826854
+C      2.63886948     -0.95714245     -0.51977597
+N      2.21121521      0.26996697      0.15482449
+C      3.24980231      1.26719806      0.21565274
+C      3.34906372      2.24736022     -0.93108141
+C      2.84230186      2.70349547      0.42640487
+C      3.68892358      3.62148084      1.27069423
+O      3.56093558      4.99993783      0.89672726
+H      1.82863333     -1.69788967     -0.48014446
+H      3.55330281     -1.41635057     -0.09059282
+H      2.84170938     -0.73667305     -1.57818108
+H      1.89341182      0.05036481      1.10201575
+H      4.21313614      0.96869422      0.66156009
+H      2.61395040      2.14182384     -1.72910986
+H      4.34699635      2.56129583     -1.24475831
+H      1.76449570      2.87196897      0.48725003
+H      4.74785482      3.29862564      1.22459910
+H      3.37767513      3.57937177      2.32602187
+H      3.68928237      5.04312124     -0.06811653 
+
+18
+-1742.4324989196987 11.421986 12.68287 -8.7051 -6.5698 -9.955 0.9196 -0.0237 3.041 9.26626 -2.69104 8.0095699916 11.2735262388 0.155480957
+C      2.53112172     -0.93504336     -0.43287555
+N      2.22496153      0.32816745      0.24234964
+C      3.34680451      1.23051697      0.27320618
+C      3.55989992      2.14291835     -0.92870140
+C      3.11152520      2.71290537      0.40109303
+C      1.71947316      3.27300830      0.56243467
+O      4.10432766      3.35518710      1.19144758
+H      1.65353782     -1.59503822     -0.39002241
+H      3.39967374     -1.47853549     -0.00716127
+H      2.75066494     -0.73398336     -1.49200396
+H      1.91419489      0.13868471      1.19839911
+H      4.27564522      0.88772780      0.75504215
+H      2.81647401      2.08497941     -1.72561819
+H      4.58786565      2.32971557     -1.23967930
+H      0.98884277      2.64602742      0.03584467
+H      1.66085418      4.29601622      0.15751292
+H      1.44831552      3.31094601      1.62817318
+H      4.22407757      4.25250975      0.83023896 
+
+16
+-1611.8041252622747 11.064594 12.05812 -9.1089 -6.9834 -10.34 0.8764 -0.9354 -0.008 9.86229 0.64684 3.7073797776 11.310808829 0.238735453
+C      1.72378036     -0.50639907      0.24522759
+N      1.67506546      0.95653437      0.13145806
+C      2.90571988      1.58685156      0.52340259
+C      3.98041821      1.72034791     -0.49551939
+C      3.19788304      2.96831250     -0.08649527
+C      3.85876434      3.96994359      0.77491927
+O      4.74072953      3.71759469      1.58577304
+H      0.74360505     -0.92116861     -0.02564269
+H      1.99354834     -0.87299593      1.25555360
+H      2.46449390     -0.90036382     -0.46532874
+H      0.91113440      1.31789276      0.70746541
+H      3.25122462      1.49142381      1.56407927
+H      3.77374677      1.34489508     -1.49753748
+H      5.01420676      1.68603576     -0.15083745
+H      2.45077234      3.33539704     -0.79097324
+H      3.48608701      5.01872836      0.65198542 
+
+18
+-1729.5665387153535 11.522056 12.96585 -8.6861 -6.5423 -9.96 1.0174 0.1326 3.356 9.26677 -3.05455 8.0560275458 11.0545793614 0.196534272
+C      2.12812241     -0.92361468     -0.54580999
+N      1.92760401      0.33299499      0.17881543
+C      3.11910559      1.13968567      0.24819428
+C      3.39993938      2.09741917     -0.90071473
+C      2.95904156      2.61185144      0.45410798
+O      3.88893544      3.23708162      1.30065304
+C      4.06308324      4.61395074      0.97067191
+H      1.19802289     -1.50826325     -0.52686978
+H      2.94740943     -1.55474788     -0.14461509
+H      2.36417160     -0.69977540     -1.59666344
+H      1.59755201      0.13632246      1.12686669
+H      4.02034555      0.70800306      0.71099235
+H      2.67626729      2.13267735     -1.71569145
+H      4.44490889      2.24257389     -1.17617963
+H      1.93233807      2.99180726      0.52966091
+H      4.80747555      5.01672526      1.66883836
+H      3.11886053      5.17803708      1.08371103
+H      4.42549657      4.73775122     -0.06550786 
+
+18
+-1744.9037168955385 11.323042 12.55048 -8.7265 -6.5923 -10.107 0.8924 -0.0557 2.877 9.35103 -2.64545 7.9342484966 10.0369890636 0.081813485
+C      2.18725579     -0.51438170     -1.40355428
+N      2.29995094      0.07508126     -0.06950607
+C      3.09121927      1.29038042     -0.04679219
+C      2.43223825      2.62451100     -0.49870909
+C      3.20668041      3.33941821      0.64338325
+C      3.33674843      1.95546774      1.32791699
+O      4.47788938      1.61571041      2.09965318
+H      1.63674535     -1.46329766     -1.34218044
+H      3.16358232     -0.70643713     -1.89795570
+H      1.61148125      0.16059873     -2.05495851
+H      2.72793226     -0.60216042      0.56791844
+H      4.07218653      1.18408838     -0.57023082
+H      1.35124818      2.59622729     -0.30160879
+H      2.61066842      2.96400839     -1.52636172
+H      4.18779742      3.70081522      0.29678282
+H      2.70762088      4.14417662      1.19778495
+H      2.46922951      1.76443638      1.97873830
+H      5.26566539      1.81557686      1.56245968 
+
+18
+-1738.908317415024 11.309822 12.46703 -8.3656 -6.3282 -9.74 0.8627 -0.0972 3.152 9.09108 -2.82411 7.6443072356 10.749090256 0.17041497
+C      2.15269811     -0.73843231     -1.34959605
+N      1.85263488      0.33784892     -0.40343974
+C      3.02006416      1.05938391      0.07079970
+C      3.78987815      0.33488929      1.15578692
+C      3.81090084      1.94976627     -0.90356496
+C      2.89562967      2.55313271      0.14436878
+O      3.43404868      3.21173513      1.26918442
+H      2.76958720     -0.42139156     -2.21559615
+H      1.20978156     -1.15690747     -1.72685272
+H      2.68841624     -1.55026313     -0.83650860
+H      1.19329459      0.99232536     -0.82811068
+H      4.59241953      0.96636016      1.55472905
+H      4.23874643     -0.59145807      0.76810588
+H      3.11076779      0.07239436      1.97945995
+H      3.49515258      1.99452608     -1.94764988
+H      4.88520686      2.04711128     -0.73516699
+H      1.94482238      2.97525718     -0.21001818
+H      3.82735034      4.04586188      0.95742925 
+
+18
+-1739.9891298622047 11.331656 12.69125 -8.6299 -6.4783 -9.91 0.9439 0.0188 3.178 9.24919 -2.86418 7.989471861 10.8750476334 0.23524572
+C      2.74719704     -1.03231128     -0.72863221
+N      2.27635686      0.20198893     -0.09733106
+C      3.31570661      1.18746614      0.05294355
+C      3.50740729      2.25121098     -1.03483363
+C      2.65504358      2.28035631     -2.28265357
+C      2.91737710      2.60919843      0.31063709
+O      3.67658453      3.31170498      1.27413384
+H      1.92984001     -1.76644359     -0.75360497
+H      3.61868224     -1.49584567     -0.22139004
+H      3.04055241     -0.82082701     -1.76755385
+H      1.87560024     -0.00841808      0.81963479
+H      4.24930769      0.88101533      0.55036785
+H      4.55111295      2.55424772     -1.15766916
+H      1.66538157      1.84716710     -2.08478589
+H      3.11744476      1.69917121     -3.09530063
+H      2.51760600      3.31001318     -2.64726885
+H      1.83771833      2.80370176      0.33093335
+H      3.73623078      4.23844356      0.98128338 
+
+16
+-1617.052275005224 10.893031 11.92096 -8.8934 -6.7922 -10.234 0.831 -0.897 0.31 9.58033 0.4503 3.7309743134 8.267820431 0.134714481
+C      2.56769137     -0.58563772     -1.69817727
+N      2.21879480      0.19603451     -0.51361624
+C      3.07351875      1.32866601     -0.26255241
+C      2.64746278      2.77886049     -0.68665524
+C      3.10187053      3.32265398      0.70203569
+C      3.10616232      1.86432809      1.17780760
+O      2.96318611      1.31840608      2.24947355
+H      1.91137746     -1.46419348     -1.76072761
+H      3.62175669     -0.93321161     -1.71427611
+H      2.39830973      0.01628904     -2.60348215
+H      2.20801083     -0.39408368      0.32199584
+H      4.12957735      1.16409161     -0.58018941
+H      1.55805381      2.82971203     -0.80908045
+H      3.14702780      3.19718635     -1.56807105
+H      4.11356085      3.75465932      0.69711733
+H      2.43045881      3.99827899      1.24728794 
+
+14
+-1496.3200258721047 11.019952 11.37195 -7.3452 -5.4611 -7.729 0.8823 -0.0681 0.691 7.2588 -0.12459 4.202877428 6.705100887 0.339370942
+C      3.02167621     -1.09757088      0.49944827
+N      2.50093697      0.02540345     -0.28696684
+C      3.06725797      1.27928596     -0.10696815
+C      2.55250625      2.55462336     -0.10909950
+C      3.68236698      3.43492017     -0.00522287
+C      4.79296799      2.65007899      0.06758845
+O      4.43159148      1.31209310      0.00189975
+H      2.47233903     -2.00370502      0.21587385
+H      2.93304610     -0.94830682      1.59120815
+H      4.07957885     -1.25319417      0.25609964
+H      1.48529182      0.08592662     -0.26884876
+H      1.50419894      2.82786100     -0.17233142
+H      3.66343756      4.52021771      0.02416332
+H      5.85317384      2.83974652      0.18172610 
+
+13
+-1339.6184807237173 10.78292 10.75343 -8.214 -6.2768 -8.839 0.8365 -0.7979 -0.175 8.3193 0.67535 4.633294827 4.7563261348 0.345960035
+C      0.93778040      0.01433538     -0.00597118
+N      2.38948655     -0.07560855     -0.06053203
+C      3.07038772      0.99953093     -0.00778291
+O      2.48487229      2.29103212      0.13340661
+N      3.55892547      3.23317631      0.29032919
+C      4.73939707      2.52468357      0.06449569
+C      4.50519088      1.20037114     -0.05065338
+H      0.51494206     -0.99849435     -0.02525201
+H      0.52464539      0.57572588     -0.86287002
+H      0.58651412      0.52111707      0.90995325
+H      3.36682058      4.00479367     -0.35891339
+H      5.67739466      3.07559472      0.06711691
+H      5.22865282      0.39900209     -0.14144671 
+
+14
+-1492.0128327602306 10.775999 11.20307 -7.583 -5.641 -7.987 0.9003 -0.0061 0.572 7.43693 -0.06674 4.373978108 6.0860635862 0.371733005
+C      2.92633087     -1.21498794      0.50198940
+N      2.38467934     -0.02963292     -0.15527182
+C      3.10479249      1.16595967     -0.05290325
+C      2.61833781      2.45104073     -0.14060062
+O      3.65470424      3.36116309     -0.07418647
+C      4.80016239      2.63732032      0.06775982
+C      4.53206783      1.29676450      0.08885273
+H      2.20895993     -2.03774097      0.38910839
+H      3.13699315     -1.07336132      1.57939365
+H      3.85785653     -1.52629457      0.00725238
+H      1.39468171      0.10257916      0.03885375
+H      1.62614125      2.86863909     -0.26429947
+H      5.71781987      3.21017218      0.14326227
+H      5.26286260      0.50122897      0.19251925 
+
+18
+-1751.4789060116602 11.102544 12.2118 -8.9359 -6.7814 -10.234 0.8828 -0.0512 3.078 9.4862 -2.80233 8.08760678 12.0123712114 0.158824694
+C      2.10294978     -0.31334913     -1.54318686
+N      2.31160076      0.15178347     -0.17087531
+C      3.08260584      1.39102436     -0.09368643
+C      2.29433618      2.63955495     -0.52411862
+C      3.04817914      3.75773636      0.19415657
+O      3.58217516      3.18242015      1.40725287
+C      3.43982125      1.75467478      1.35422837
+H      1.62500243     -1.30221181     -1.52366120
+H      3.03549565     -0.38648647     -2.14219155
+H      1.42070757      0.37154544     -2.06831137
+H      2.80994285     -0.57622582      0.34767671
+H      4.01725925      1.33852920     -0.69774193
+H      1.26273410      2.54725391     -0.14972312
+H      2.26515560      2.78835122     -1.61202299
+H      3.88447175      4.14086492     -0.41956118
+H      2.40305690      4.60747556      0.46558411
+H      4.38495439      1.29928313      1.69155162
+H      2.62343140      1.42524578      2.02525031 
+
+18
+-1734.3386069631329 11.039123 12.10114 -8.8119 -6.686 -10.117 0.8315 -0.1217 2.808 9.36208 -2.49438 7.73796626 10.9410081854 0.104868686
+C      1.69421982     -0.61997403     -1.10211896
+N      2.23168187     -0.01404740      0.11744388
+C      3.07338863      1.16609922     -0.09705223
+C      4.32452543      0.94787196     -0.95480432
+C      2.28163123      2.44156870     -0.48582843
+O      2.83365691      3.17951964      0.64266866
+C      3.36872728      1.94777338      1.20612848
+H      1.04024088     -1.45842642     -0.82480778
+H      2.44948056     -0.99764137     -1.81953968
+H      1.07030726      0.11814087     -1.62964487
+H      2.77088421     -0.71537881      0.63353999
+H      4.89718559      1.88197584     -1.04846794
+H      4.06681011      0.61104618     -1.96954754
+H      4.98162638      0.19079548     -0.49848633
+H      1.18866400      2.31991255     -0.39438718
+H      2.53588747      2.91804294     -1.44606877
+H      4.42631170      2.05638162      1.49647771
+H      2.76660069      1.59632965      2.06164529 
+
+16
+-1618.059343501572 10.883174 11.90278 -9.1073 -6.9773 -10.509 1.0535 -0.754 0.334 9.65145 0.42382 3.762231184 11.1945843526 0.109748705
+C      1.93907004     -0.46778689     -1.27014149
+N      2.19934115      0.14629999      0.03270331
+C      3.15993956      1.23518691     -0.03757958
+C      2.60371273      2.57587018     -0.61517294
+C      3.17254944      3.27470807      0.62575415
+O      3.39395226      4.42919476      0.91183424
+C      3.45815129      1.93557679      1.31972556
+H      1.25806114     -1.32018558     -1.14436261
+H      2.85179939     -0.81993157     -1.79421511
+H      1.43932376      0.26197960     -1.92500511
+H      2.55334547     -0.56593688      0.67663129
+H      4.10221070      0.95791381     -0.55584092
+H      1.50174919      2.58913877     -0.59814733
+H      2.96247570      2.93316825     -1.58941803
+H      4.45034064      1.81663035      1.77466793
+H      2.67920754      1.71026345      2.06600665 
+
+18
+-1741.6530013936897 11.307355 12.43865 -8.7795 -6.6446 -10.132 0.855 -0.1059 2.935 9.4067 -2.71286 8.0134879492 11.5882523012 0.098618618
+C      2.06622536     -0.54028259     -1.31781845
+N      2.25452758      0.06920303     -0.00125819
+C      3.14619242      1.21814932     -0.03264889
+C      2.54048118      2.55144329     -0.56209765
+C      3.17953660      3.29555727      0.64574778
+O      4.36250893      4.04253365      0.35750651
+C      3.40406702      1.91476588      1.32836596
+H      1.43961663     -1.43746091     -1.22299417
+H      3.01281404     -0.82451383     -1.82506447
+H      1.53667732      0.16639327     -1.97473408
+H      2.63779411     -0.62760359      0.64345705
+H      4.10285749      0.99174251     -0.55662950
+H      1.44267565      2.52892516     -0.49473612
+H      2.84097219      2.90548549     -1.55826412
+H      2.53041961      4.00017140      1.18195060
+H      4.96858374      3.46923600     -0.14542236
+H      4.37876083      1.76575557      1.81389797
+H      2.59893930      1.67992907      2.04057213 
+
+13
+-1355.5611444914841 10.004954 10.41579 -8.459 -6.5697 -9.429 1.3257 -0.3509 -0.019 8.71237 0.51316 5.045486284 12.4228268644 0.248860048
+C      3.06976242     -1.23864374      0.41029515
+N      2.55711085     -0.05532737     -0.27076512
+C      3.22090092      1.14891894     -0.13135358
+N      2.55726255      2.29848017     -0.22861101
+O      3.54888000      3.30639993     -0.12776063
+C      4.74703819      2.71413684      0.04671946
+C      4.62622845      1.35717225      0.05916130
+H      2.40625830     -2.08354013      0.18964455
+H      3.14252304     -1.12292226      1.50697772
+H      4.06453821     -1.49599361      0.02006657
+H      1.54653894      0.06128916     -0.21948402
+H      5.59661068      3.38384902      0.14633788
+H      5.41415746      0.62232081      0.17612172 
+
+15
+-1468.1593848629902 10.622435 11.11782 -8.5216 -6.5495 -9.778 0.7944 -0.1304 0.874 9.17384 -0.21067 4.5678054218 8.3660917346 0.212842861
+C      1.04008135     -0.04850228      0.10976028
+N      2.37256776      0.11990982     -0.43125693
+C      3.04539271      1.16924676     -0.16497179
+C      2.72365137      2.44779433      0.60245390
+C      3.63876174      3.43018345     -0.11793229
+O      4.82443015      2.65837355     -0.41155625
+N      4.37362886      1.30397939     -0.63486275
+H      1.02601922     -0.93246337      0.76821482
+H      0.33755519     -0.26177126     -0.71167806
+H      0.65080283      0.80967312      0.68864948
+H      3.00195263      2.34179681      1.66257753
+H      1.66074728      2.70740158      0.53795330
+H      3.17149706      3.79128521     -1.05484041
+H      3.96668354      4.28700987      0.48470396
+H      4.47091831      1.08715301     -1.63239478 
+
+17
+-1612.6260718422511 10.908572 11.98757 -8.3661 -6.208 -9.721 0.9001 -0.0574 3.336 9.31361 -3.052 7.842858416 10.9311884942 0.2050346
+C      2.76874416     -1.06613537     -0.72560012
+N      2.28966655      0.18546353     -0.13372398
+C      3.33759218      1.15553316      0.05135339
+C      3.49505115      2.23426510     -1.03961543
+N      2.64676030      2.29528072     -2.21070018
+C      2.91794626      2.57986773      0.30425337
+O      3.67168776      3.29979598      1.25728904
+H      1.93490657     -1.77714104     -0.80721567
+H      3.58720195     -1.54885167     -0.15359412
+H      3.14382643     -0.86791610     -1.74061306
+H      1.83302950     -0.00531093      0.76141989
+H      4.26508174      0.84242310      0.55535802
+H      4.51774301      2.57734843     -1.21064916
+H      1.79683685      1.75588717     -2.00967088
+H      3.10581503      1.80407028     -2.98365930
+H      1.83361021      2.75424813      0.32944337
+H      3.71757034      4.22380179      0.95268480 
+
+15
+-1505.7689060452403 10.402879 11.1797 -9.0497 -6.9263 -10.39 0.8625 -0.1116 0.642 9.67067 0.05395 4.3838473936 11.559586738 0.129837394
+C      2.29900508     -0.60258500     -1.48857241
+N      2.23449530      0.16194828     -0.24391257
+C      3.17631098      1.25671137     -0.18320686
+C      2.66789922      2.65769039     -0.65570530
+N      2.91191306      3.13171837      0.71899576
+C      3.27672262      1.90680342      1.22709929
+O      3.54111015      1.50245593      2.34272233
+H      1.62272683     -1.46536449     -1.42234936
+H      3.31672016     -0.96930546     -1.73668812
+H      1.95462845      0.02217778     -2.32679284
+H      2.39907787     -0.44919054      0.55948523
+H      4.17872580      1.02078698     -0.59908957
+H      1.60591711      2.64745550     -0.93958705
+H      3.27864391      3.16380830     -1.41724044
+H      2.71329344      4.01698917      1.18328190 
+
+13
+-1376.4194986365892 10.182605 10.51027 -7.9469 -5.945 -8.037 0.82 -0.2182 0.298 7.65426 0.35719 4.0303137132 12.2349012842 0.233915173
+C      3.01429266     -1.13111403      0.40662082
+N      2.52941613      0.01777018     -0.36673200
+C      3.09572893      1.25850117     -0.14315212
+C      2.62229881      2.54594785     -0.10334933
+N      3.69898999      3.42146279      0.02729878
+C      4.74388587      2.65810493      0.07638249
+O      4.46552713      1.30533509     -0.02571794
+H      2.46621295     -2.02337958      0.08095796
+H      2.88922603     -1.00821797      1.49735245
+H      4.07793862     -1.29100241      0.19312523
+H      1.51428830      0.08358191     -0.39424481
+H      1.59650438      2.89437872     -0.16202988
+H      5.78752020      2.92316134      0.20529835 
+
+13
+-1348.3084106066688 9.984001 10.35154 -8.1657 -6.1999 -8.72 1.1333 -0.5628 -0.218 8.2692 0.74622 4.3469863558 11.9167656068 0.363371954
+C      2.96074678     -1.20800019      0.47549297
+N      2.35848674     -0.01621999     -0.11431940
+C      3.06427918      1.18404798     -0.02850272
+C      2.61308332      2.47594625     -0.16568914
+O      3.65475300      3.34925426     -0.07999889
+N      4.83425649      2.63100869      0.12208294
+C      4.47203372      1.36002583      0.15194592
+H      2.25634409     -2.04275417      0.37606014
+H      3.22495171     -1.09259920      1.54370348
+H      3.87030708     -1.48149095     -0.07892205
+H      1.37439671      0.08719097      0.12114357
+H      1.63464980      2.91601275     -0.32716702
+H      5.23843138      0.60398776      0.30384020 
+
+18
+-1737.9908433399455 11.266323 12.55771 -8.9381 -6.7736 -10.262 0.8512 -0.0769 2.967 9.52793 -2.70412 8.0429966172 13.423282297 0.097566556
+C      2.13371890     -0.53406535     -1.45340911
+N      2.22335082      0.01244458     -0.09855837
+C      3.10576447      1.16538731     -0.01626472
+C      2.50552937      2.52411894     -0.43143917
+O      2.90414280      3.12993219      0.83344462
+C      3.25070999      1.81458517      1.37800513
+C      4.59433340      1.80465931      2.07069535
+H      1.50873550     -1.43727876     -1.44453938
+H      3.11559699     -0.78875129     -1.90543736
+H      1.64406680      0.19910861     -2.11237390
+H      2.56878726     -0.71507386      0.53344530
+H      4.09582463      0.99599592     -0.49174056
+H      1.40760042      2.48795257     -0.54020446
+H      2.95871815      3.04547698     -1.28846986
+H      2.44945047      1.46340117      2.05617791
+H      5.39013726      2.13115716      1.38651567
+H      4.83079551      0.79233817      2.43326369
+H      4.58354726      2.47980117      2.93809919 
+
+16
+-1546.2808405741118 10.124704 11.25214 -8.7529 -6.5818 -10.091 0.919 -0.0376 3.031 9.48145 -2.70287 7.95246204 10.8005072502 0.195904888
+C      2.80331353     -1.06371494     -0.63075819
+N      2.29123474      0.23746578     -0.18231946
+C      3.33899221      1.19369762      0.08397816
+C      3.51790995      2.24101319     -1.01444152
+O      2.66058444      2.14746661     -2.11762406
+C      2.94268331      2.62828302      0.33168219
+O      3.72607593      3.30910421      1.28764916
+H      1.96143195     -1.74826203     -0.80013772
+H      3.50256691     -1.53303127      0.08804588
+H      3.33416158     -0.93419818     -1.58449323
+H      1.69778680      0.12052915      0.64203652
+H      4.24021096      0.85608416      0.61285051
+H      4.52831183      2.57154856     -1.26513157
+H      2.04289011      1.41804583     -1.86841659
+H      1.86628118      2.84571621      0.34093957
+H      3.81132456      4.23242206      0.98946034 
+
+14
+-1436.5477870438876 9.522101 10.49519 -9.4802 -7.2886 -10.704 1.1347 -0.3969 0.129 10.40014 0.51837 4.3232306382 11.3116519338 0.118270834
+C      2.53967775     -0.53930375     -1.63863778
+N      2.34120596      0.10672434     -0.34066593
+C      3.11135920      1.32106258     -0.17828801
+C      2.43347964      2.65484538     -0.55137120
+O      2.53718764      3.11251501      0.85873340
+C      3.07550590      1.90014218      1.24379529
+O      3.35884913      1.52881140      2.34971739
+H      1.99056098     -1.48959060     -1.65747010
+H      3.60337470     -0.73903853     -1.88101988
+H      2.12561528      0.09621154     -2.43579686
+H      2.58219232     -0.53535956      0.41748841
+H      4.15337529      1.25842463     -0.55909985
+H      1.37966686      2.55892449     -0.83945662
+H      2.98695936      3.33615089     -1.20835828 
+
+18
+-1739.349410059874 11.192246 12.37089 -8.7232 -6.6081 -9.833 0.8405 -0.2218 2.91 9.10479 -3.42908 7.582301837 11.2587223104 0.295856414
+C      0.57094769      0.75975098      0.13480527
+N      1.78088566      0.89892291     -0.67563081
+C      2.94809570      1.39829546      0.02281195
+C      3.47389899      0.60447445      1.20876486
+O      3.88068630     -0.73000097      0.86342547
+C      3.95381330      2.11466737     -0.84547455
+C      3.07291610      2.90569635      0.09605860
+H      0.64458680      0.06227811      0.99471052
+H     -0.25282929      0.41613954     -0.50625001
+H      0.29181561      1.74579473      0.53535742
+H      2.01059537      0.02161403     -1.14834969
+H      2.72087649      0.58022928      2.01845902
+H      4.37146413      1.09420296      1.61461527
+H      3.07501783     -1.25929963      0.73471091
+H      3.72433259      2.17501915     -1.90905850
+H      5.01000917      2.00044697     -0.59902340
+H      3.52593374      3.34443012      0.98669101
+H      2.26005382      3.48229821     -0.34541334 
+
+16
+-1612.2472506702695 10.987309 11.58661 -8.4527 -6.343 -9.034 0.9419 -0.0893 1.262 8.59356 -0.70874 5.9545392374 5.9545392374 0.245477131
+C      2.16310757     -0.33013138     -1.58578376
+N      2.33579767      0.16551625     -0.21994526
+C      3.41614877      1.16744839     -0.10244410
+C      3.57013727      1.64075285      1.35951810
+O      2.99709520      2.98236939      1.45114186
+C      2.81626745      3.39281357      0.15844352
+C      3.06807508      2.47435662     -0.78465759
+H      1.44299058     -1.15938500     -1.58179347
+H      3.10189528     -0.68512907     -2.06294829
+H      1.74408752      0.46605696     -2.21807237
+H      2.58223006     -0.62658593      0.38140989
+H      4.38056537      0.76219826     -0.48199209
+H      4.62705860      1.72033862      1.65512766
+H      3.02794582      1.00039928      2.06858836
+H      2.48212836      4.42453838      0.05931805
+H      2.98339938      2.62716281     -1.85593050 
+
+13
+-1376.4554555355712 10.022038 10.49381 -7.8646 -5.8769 -8.143 1.4883 -0.1706 0.184 7.60176 0.39875 4.039277901 12.4196280256 0.233435821
+C      2.88632502     -1.12720270      0.54520266
+N      2.34067674      0.05402052     -0.12328940
+C      3.04612523      1.24706353     -0.03574392
+C      2.60778733      2.54516009     -0.14093286
+O      3.72454099      3.36967960     -0.08006978
+C      4.76079383      2.50919056      0.07285915
+N      4.43115069      1.24893547      0.10808536
+H      2.26323332     -1.99235794      0.28696853
+H      2.93052397     -1.03043615      1.64521044
+H      3.90303807     -1.30915353      0.17941653
+H      1.34170304      0.17730209      0.02230987
+H      1.65014017      3.03217440     -0.26926114
+H      5.75225159      2.94347406      0.15401457 
+
+15
+-1465.4060493456157 10.261541 10.76976 -9.2068 -7.0631 -10.419 1.0515 -0.5436 0.44 10.01711 0.1438 5.3074315062 6.3125116166 0.147282018
+C      2.32571301     -0.38333830     -1.66218990
+N      2.36431043      0.11999570     -0.28783485
+C      3.37140004      1.17546490     -0.08591943
+C      3.46808364      1.61574015      1.37877319
+O      2.82580575      2.93073974      1.45591520
+N      2.60992529      3.39868513      0.15864158
+C      2.92412573      2.48905585     -0.69330687
+H      1.66104555     -1.25595339     -1.70668749
+H      3.31846492     -0.67756308     -2.06359318
+H      1.90391126      0.38142726     -2.33017146
+H      2.59467126     -0.65497971      0.33948611
+H      4.36635606      0.88030982     -0.48537846
+H      4.50987640      1.73796847      1.70957761
+H      2.92774360      0.94410717      2.06019050
+H      2.80926705      2.70442027     -1.75430256 
+
+13
+-1382.1405788029633 10.114691 10.60569 -7.9796 -6.0007 -8.298 0.8741 -0.0876 0.492 7.86608 0.10949 4.3539047746 12.4013400906 0.188472352
+C      3.18000023     -1.14037956      0.41758317
+N      2.58721758      0.01962681     -0.23879784
+C      3.14744883      1.26324579     -0.11510116
+N      2.56247169      2.42146001     -0.29709745
+C      3.59994249      3.34011409     -0.13666559
+C      4.75950257      2.69492484      0.14502828
+O      4.48549957      1.32551146      0.16677558
+H      2.61950119     -2.03275590      0.11574522
+H      3.17384046     -1.06864525      1.51917533
+H      4.21784700     -1.26237641      0.08414286
+H      1.57179615      0.06838692     -0.24572022
+H      3.43139347      4.40859678     -0.23213415
+H      5.78207875      2.98190041      0.35347597 
+
+15
+-1508.0851790356578 10.437841 11.21474 -8.6655 -6.6662 -9.546 0.7065 -0.2506 1.029 8.90798 -0.42647 4.9566875108 8.7197246038 0.202271675
+C      1.14686809     -0.00779975      0.25982150
+N      2.55615787      0.05980832     -0.08878131
+C      3.04468061      1.21921362     -0.27159457
+N      2.43572151      2.48301492     -0.24559056
+C      3.47740505      3.50540990     -0.15255440
+C      4.61368224      2.77048791     -0.86891329
+O      4.37986486      1.37656179     -0.57906290
+H      0.85141704     -1.05986503      0.36994417
+H      0.49482152      0.44244620     -0.51278423
+H      0.91769558      0.49200889      1.22330578
+H      1.62715771      2.56260318      0.36682225
+H      3.19005962      4.43197025     -0.66872733
+H      3.74699019      3.74181334      0.89263542
+H      4.56469191      2.92284539     -1.96013470
+H      5.61285622      3.03446106     -0.50215584 
+
+15
+-1512.2827144576995 10.357474 11.19643 -8.382 -6.3591 -9.275 0.9192 -0.0189 0.983 8.58098 -0.38503 5.464992915 5.7695521254 0.160585202
+C      0.97726191      0.20609266     -0.09680453
+N      2.42236409      0.17569288      0.10888034
+C      3.19525098      1.29330622     -0.06730213
+N      4.43932018      1.30960290     -0.40017850
+C      4.86555691      2.70840208     -0.25821009
+C      3.54877951      3.50444881     -0.11475170
+O      2.56022052      2.48444151      0.21603387
+H      0.55215038     -0.73712807      0.26756398
+H      0.69038934      0.34027110     -1.15482270
+H      0.54315411      1.02522762      0.48704997
+H      2.90571909     -0.65954359     -0.21180426
+H      5.51219970      2.82068310      0.63038091
+H      5.44920897      3.03127153     -1.13326859
+H      3.23561617      3.98422555     -1.05547091
+H      3.54783813      4.24616571      0.69399434 
+
+13
+-1370.2765873893634 10.376892 10.66027 -7.7703 -5.815 -8.507 0.6676 -0.2789 0.741 7.99455 -0.22161 4.9261373604 8.762338592 0.35146569
+C      0.99248632     -0.03835413      0.00055164
+N      2.44406215     -0.05283412      0.00773793
+C      3.01765371      1.08313229      0.00772820
+N      2.52912006      2.38909741      0.00187250
+C      3.59547400      3.29266250      0.00394847
+C      4.71890186      2.55200087      0.01155876
+O      4.40635046      1.20111560      0.01422613
+H      0.61919588     -1.07104985     -0.00518158
+H      0.57190663      0.46413317     -0.89413009
+H      0.56373460      0.45726518      0.89507271
+H      1.54325735      2.61543286     -0.00405300
+H      3.45892409      4.36716504     -0.00000103
+H      5.77011288      2.80852319      0.01582936 
+
+18
+-1736.8005113615764 11.450086 12.92975 -8.7825 -6.6087 -10.214 0.9269 -0.0076 3.024 9.47954 -2.71084 8.1070849806 10.8304126734 0.236442561
+C      1.31103084      0.04109557     -0.78473737
+N      2.77095805      0.01194892     -0.76812267
+C      3.34138525      0.82967694      0.30218130
+C      4.84879202      0.85308408      0.22435756
+C      5.56920434      1.83576598     -0.70182755
+C      5.64526156      1.98973366      0.79597572
+O      6.84040522      1.79404110      1.52090400
+H      0.93975630     -0.53112951     -1.64611177
+H      0.87538348      1.06262209     -0.82927177
+H      0.92532004     -0.44300869      0.12613507
+H      3.13147247      0.35182587     -1.66379840
+H      3.02464798      0.39335770      1.26643506
+H      2.95958465      1.87756904      0.29387842
+H      5.31452267     -0.13563353      0.29576580
+H      4.97394579      2.55862433     -1.26472195
+H      6.46129355      1.47869026     -1.21909484
+H      5.09130036      2.81971851      1.23933334
+H      7.22631542      0.94283767      1.24960007 
+
+18
+-1732.8627204753275 11.493586 12.65549 -8.4297 -6.3968 -9.738 0.928 -0.0108 3.266 8.93771 -2.98026 7.5731392716 11.4437466182 0.227663035
+C      1.21084476      0.10701510      0.20943810
+N      2.61789250     -0.00809817     -0.16821790
+C      2.77710554     -0.72690003     -1.43121933
+C      3.26936215      1.27403464     -0.20790456
+C      3.75691069      1.88419052      1.09879606
+C      4.74304539      1.34763695      0.09481213
+O      5.62691605      2.17650245     -0.62797499
+H      1.12867955      0.63403112      1.17020426
+H      0.77667899     -0.89668223      0.32658816
+H      0.60474266      0.65898498     -0.54309137
+H      2.35404819     -1.73745601     -1.33653058
+H      3.84511815     -0.81723242     -1.67087500
+H      2.27226910     -0.21938858     -2.28296463
+H      2.90567310      1.99978814     -0.95944397
+H      3.60706613      1.31555411      2.01752895
+H      3.66687446      2.96764613      1.20694033
+H      5.22862626      0.40153561      0.34021729
+H      5.30974632      3.09355768     -0.56239296 
+
+18
+-1737.0503477216446 11.222857 12.43369 -8.7203 -6.5477 -10.031 0.9887 0.0947 3.064 9.31093 -2.77328 8.0689096912 10.70123166 0.138415374
+C      1.38674496      0.07047244     -0.78935532
+N      2.82015679      0.31988468     -0.90915687
+C      3.47008905      0.50801737      0.38223436
+C      4.94768703      0.81808247      0.22765192
+C      5.81448176     -0.07234658     -0.68894381
+C      6.16686044      1.23955765     -1.40842750
+O      5.17904173      1.98576653     -0.63306313
+H      0.93723421      0.01815948     -1.79055772
+H      0.83947433      0.83790817     -0.20120850
+H      1.22111731     -0.90214455     -0.29982912
+H      2.97783068      1.17081772     -1.45631182
+H      3.37443199     -0.42143596      0.97265338
+H      3.00405034      1.31784973      0.98899846
+H      5.39078517      0.98713475      1.22689146
+H      5.21123383     -0.75893943     -1.29411140
+H      6.64102855     -0.60607569     -0.20525851
+H      7.18640170      1.61409294     -1.21441459
+H      5.95693012      1.29071828     -2.48799131 
+
+18
+-1737.269994255322 11.252045 12.60442 -8.935 -6.7437 -10.324 0.8747 -0.0728 2.711 9.5971 -2.39096 8.087854752 10.9745463984 0.317201642
+C      1.37245641     -0.31472655     -0.72726704
+N      2.82812228     -0.18003081     -0.73700440
+C      3.31330099      0.76153190      0.27260241
+C      4.83226601      0.82783854      0.28102541
+C      5.56081609     -0.43759786      0.66498912
+C      5.49535248      1.85036469     -0.55546025
+O      5.35786218      2.04749636      0.86518937
+H      1.05934820     -0.97681025     -1.54621673
+H      0.82464012      0.64618150     -0.82552980
+H      1.05659016     -0.78222417      0.21806593
+H      3.12886358      0.14414291     -1.66017204
+H      2.96894095      0.40392703      1.25928905
+H      2.91835980      1.79323956      0.15195067
+H      6.64743509     -0.30240577      0.59351266
+H      5.24933665     -1.26388313      0.01136972
+H      5.31250352     -0.71427619      1.70076749
+H      4.89100474      2.52245485     -1.17691114
+H      6.51900076      1.67676741     -0.90569044 
+
+18
+-1733.0217407747455 11.243624 12.51453 -8.9113 -6.7314 -10.234 0.8626 -0.0811 2.926 9.50442 -2.63999 8.1278154398 11.88901754 0.120030468
+C      1.44820311     -0.09452411     -0.76828359
+N      2.87136111      0.20361134     -0.91854711
+C      3.49717869      0.62905471      0.33179037
+C      4.97807075      0.91640162      0.13603365
+C      5.79630519      1.10190305      1.43171401
+O      6.52302865     -0.14067432      1.21124869
+C      5.87663862     -0.31774655     -0.08703908
+H      1.01674791     -0.33759879     -1.74897701
+H      0.85541854      0.73118408     -0.32029776
+H      1.32686941     -0.97858243     -0.12316276
+H      2.98793490      0.94270117     -1.61709991
+H      3.38426836     -0.19284013      1.06186537
+H      3.00448511      1.52054953      0.78501655
+H      5.11787682      1.71954452     -0.60434347
+H      5.21813177      1.07843194      2.37202233
+H      6.47413927      1.97281104      1.44301549
+H      6.60384362     -0.23376525     -0.91199990
+H      5.34536817     -1.28021140     -0.15994585 
+
+18
+-1728.6639738957447 11.27222 12.29548 -8.6138 -6.5734 -9.957 0.8884 -0.0534 3.052 9.15229 -2.78119 7.6955506494 11.070771933 0.153204973
+C      1.12294109      0.04665060      0.14208138
+N      2.56163784     -0.04591541     -0.09672129
+C      2.83780743     -0.77554437     -1.33234818
+C      3.16406854      1.27706418     -0.13390831
+C      3.22636794      2.05290591      1.19705439
+O      4.65684416      2.28372636      1.03840012
+C      4.70329776      1.34442699     -0.07531607
+H      0.93251840      0.56504490      1.09268963
+H      0.69748027     -0.96413200      0.21689825
+H      0.58422196      0.59140736     -0.66548569
+H      2.41812007     -1.78904469     -1.26185141
+H      3.92338235     -0.86839385     -1.47913556
+H      2.40586024     -0.28247361     -2.23203926
+H      2.75200550      1.90029460     -0.95928675
+H      3.01253661      1.41779528      2.07484740
+H      2.66712898      2.99870010      1.26375795
+H      5.22949414      1.76955291     -0.94369419
+H      5.16424674      0.38570473      0.22128758 
+
+18
+-1737.170408067909 11.414123 13.07238 -8.9301 -6.7184 -10.304 0.943 0.0051 2.837 9.60048 -2.57346 8.1258440624 11.1765195924 0.202469682
+C      1.11201304     -0.17519565     -0.55966691
+N      2.57181395     -0.10495080     -0.54497058
+C      3.06908111      0.92761625      0.36628388
+C      4.57527645      1.01970951      0.30038939
+O      5.22123182      1.73719835      1.37282874
+C      5.45797209      0.31090658      1.24026866
+C      6.85674540     -0.11163394      0.88312857
+H      0.78631423     -0.91577933     -1.30317526
+H      0.61267830      0.79147463     -0.78379638
+H      0.75392216     -0.51262867      0.42551325
+H      2.90326614      0.09935489     -1.49173458
+H      2.77381751      0.66149226      1.39478309
+H      2.63763359      1.93383824      0.16240297
+H      4.98699878      1.25090498     -0.69421940
+H      4.96316411     -0.28322360      2.02041231
+H      7.26067027      0.51614818      0.07743046
+H      6.86473479     -1.16065246      0.55050747
+H      7.52283626     -0.02682942      1.75399434 
+
+18
+-1742.5767659448688 11.398379 12.68583 -9.0524 -6.9066 -10.293 0.8466 -0.1003 2.976 9.5396 -2.62 8.1367176346 11.1764452008 0.104568821
+C      1.44765412     -0.32067737     -0.07233049
+N      2.85889710     -0.01011145     -0.29944222
+C      3.32806958      1.16986092      0.43754287
+C      4.83528456      1.24036977      0.32393856
+O      5.45997577      0.04636090      0.74609300
+C      5.46936186      2.01018649     -0.82176266
+C      5.57473639      2.50439938      0.61573498
+H      1.15592047     -1.17954320     -0.69200111
+H      0.75926274      0.51989069     -0.29483992
+H      1.30265105     -0.60319640      0.98105149
+H      3.01738117      0.14548442     -1.29903548
+H      3.05590208      1.02811679      1.49762209
+H      2.86615646      2.12085328      0.09877774
+H      4.86227435     -0.65762415      0.41128401
+H      4.82933711      2.56354772     -1.51206346
+H      6.36735821      1.57434709     -1.25913297
+H      6.54020169      2.39104067      1.10915827
+H      5.00519529      3.38815445      0.90786529 
+
+18
+-1733.861492554892 11.398763 13.03391 -8.8039 -6.5895 -10.148 1.0175 0.0964 2.832 9.41831 -2.54972 8.1709005748 11.2133186372 0.19393189
+C      1.73994469     -0.56038705      1.03140925
+N      3.08488598     -0.35186009      0.49895299
+C      3.24668697      0.96419569     -0.11936944
+C      4.65004554      1.12495040     -0.70705445
+C      4.87377515      2.48791590     -1.30942855
+C      5.74445305      2.70135127     -2.47712205
+O      4.31107668      2.72704440     -2.62244950
+H      1.65192780     -1.58443320      1.42009648
+H      0.92623904     -0.39448195      0.29359765
+H      1.57005948      0.12971887      1.87268862
+H      3.27905599     -1.07028920     -0.20418435
+H      3.08999004      1.72400642      0.66721671
+H      2.49176841      1.16850850     -0.90977025
+H      4.81995252      0.36261740     -1.48622083
+H      5.39353743      0.95125455      0.08904008
+H      4.74172740      3.33629880     -0.62349019
+H      6.24354748      1.83889358     -2.93357613
+H      6.24521635      3.66589574     -2.61420603 
+
+18
+-1728.0297117331058 11.340587 12.53147 -8.564 -6.51 -9.947 0.912 -0.0122 2.902 9.14828 -2.60976 7.68527221 11.2117316164 0.226098538
+C      0.74754261     -0.56043555      0.03138549
+N      2.11363020     -0.22018273     -0.35353512
+C      2.76175048     -1.35212627     -1.01118871
+C      2.14110680      0.98444479     -1.18186912
+C      3.53875308      1.54763251     -1.33014681
+C      4.32578554      1.40611423     -2.56777488
+O      3.66870373      2.64826200     -2.25296888
+H      0.29098953      0.28207844      0.56995186
+H      0.76062177     -1.43009285      0.70403074
+H      0.09906002     -0.80928345     -0.83900691
+H      2.75727841     -2.21920658     -0.33575646
+H      3.80685536     -1.10949413     -1.24396796
+H      2.25383908     -1.64761830     -1.95769233
+H      1.52270689      1.74929848     -0.68445342
+H      1.70408749      0.82195904     -2.19489019
+H      4.08236328      1.68095805     -0.38599567
+H      3.89440165      0.85469368     -3.41103748
+H      5.41996408      1.43259862     -2.52331415 
+
+18
+-1734.4866965029694 11.241489 12.584 -8.8932 -6.7533 -10.336 0.8815 -0.0387 2.825 9.58809 -2.50865 8.0760388862 11.3760378636 0.217019042
+C      1.56613543     -0.20494897      0.28217537
+N      2.93627945      0.17578842      0.62841411
+C      3.21901290      1.61114503      0.47817013
+C      2.43521533      2.44870773      1.49175402
+C      4.70963277      1.80919159      0.67944285
+C      5.65243681      1.81328952     -0.45343783
+O      5.26703643      3.04416402      0.19094107
+H      1.49327912     -1.30079841      0.26381691
+H      1.22427919      0.18332703     -0.70083202
+H      0.86475640      0.15466709      1.04831039
+H      3.57926877     -0.33779137      0.02017339
+H      2.97130936      1.98180793     -0.54322049
+H      2.62619632      2.08824920      2.51369035
+H      1.35377574      2.40423992      1.30571684
+H      2.74398359      3.50037830      1.42064717
+H      5.08665852      1.50092044      1.66368926
+H      5.26478781      1.68540004     -1.47082203
+H      6.69365605      1.51153248     -0.29869951 
+
+20
+-1887.766623886584 11.90971 12.97823 -9.2118 -7.0066 -10.173 0.7996 -0.1453 2.995 9.48232 -2.73303 8.185927678 12.5396464736 0.133847541
+C      1.26576307      1.93220177      0.91321852
+N      2.69091609      2.02749422      1.24270542
+C      3.55903039      1.44325086      0.20787325
+C      5.05008179      1.57247148      0.53942191
+C      5.67611158      2.97226494      0.40769588
+C      5.26818924      4.01416064      1.45699935
+O      3.94228776      4.50496836      1.32182103
+H      0.66793625      2.31424010      1.75131756
+H      0.93521726      0.90032489      0.68263308
+H      1.05515928      2.56052748      0.03556943
+H      2.86435609      1.53910083      2.12639011
+H      3.34390100      1.97201342     -0.73642938
+H      3.31235373      0.37457565      0.03730095
+H      5.58764251      0.88770204     -0.13653935
+H      5.22851343      1.18172624      1.55900527
+H      5.45876315      3.38199227     -0.59396069
+H      6.77222389      2.85522571      0.46778043
+H      5.93237169      4.88838699      1.36360701
+H      5.44156238      3.58986355      2.47065457
+H      3.34960942      3.70360855      1.37190565 
+
+16
+-1636.451685145932 11.857592 12.09601 -8.501 -6.6109 -9.131 1.1163 -0.4923 0.161 8.51384 0.51064 4.2065474136 5.1590326628 0.381088129
+C      1.00938719     -0.11578685      0.37181329
+N      2.44065245     -0.11728612      0.08000247
+C      3.13676762     -1.32472617      0.16942029
+C      2.60813032     -2.51578773      0.50584923
+C      3.04351756      1.09745221     -0.27536854
+C      4.53133089      1.08124695     -0.57655724
+O      2.38952969      2.13628412     -0.34028547
+H      0.64643738      0.90819548      0.24846346
+H      0.83338965     -0.45535607      1.40309416
+H      0.48175520     -0.78779680     -0.32085146
+H      4.19766899     -1.25164487     -0.06114656
+H      1.55675591     -2.65848321      0.74780590
+H      3.25643282     -3.38858438      0.54072265
+H      5.12104207      0.75120488      0.29016228
+H      4.81737378      2.10584794     -0.83206013
+H      4.77094848      0.42178061     -1.42245431 
+
+20
+-1878.2287899526543 12.069205 13.28146 -8.3149 -6.3154 -9.783 0.9483 -0.0075 3.199 8.98987 -2.93938 7.7315437852 12.116035906 0.217136792
+C      2.10320905     -1.40377688      1.28201325
+N      3.39282815     -1.28495604      0.60962300
+C      3.42026807     -2.12547235     -0.58381205
+C      3.68679568      0.12110051      0.30456369
+C      5.11835610      0.37467084     -0.17280848
+C      6.17514835     -0.09255335      0.81757768
+O      7.46139332      0.27617494      0.29136882
+H      2.10722772     -0.80679033      2.20555254
+H      1.92229492     -2.45390712      1.55383310
+H      1.25082727     -1.06057761      0.65186044
+H      3.21066101     -3.16698154     -0.30140741
+H      4.41294780     -2.09995920     -1.05281554
+H      2.66847750     -1.81577664     -1.34576308
+H      3.51435481      0.69335003      1.23174905
+H      2.97524800      0.52530718     -0.45397528
+H      5.23996288      1.45774379     -0.33437092
+H      5.30478214     -0.10140722     -1.14832198
+H      6.10083108     -1.18397816      0.96289238
+H      6.00068217      0.38690096      1.80089378
+H      8.13988399     -0.09703180      0.87819702 
+
+16
+-1622.7273810614615 12.877645 12.67013 -8.1255 -6.334 -8.843 0.688 -0.8649 -0.526 8.08377 1.18876 3.5491240472 4.3898979104 0.528419909
+C      1.05417655      0.05525996      0.00125380
+N      2.47620269     -0.18045612      0.20330883
+C      2.94401577     -1.55395668      0.08144909
+C      3.35514603      0.85375439      0.16672998
+C      3.08251393      2.18724919      0.01914194
+C      4.16970528      3.13827664      0.06919152
+O      4.06510364      4.35926465     -0.05408588
+H      0.72695154      0.91108004      0.60661285
+H      0.49372888     -0.83180560      0.32102175
+H      0.81692247      0.26178597     -1.05733592
+H      2.38287271     -2.20774651      0.76523731
+H      4.00673923     -1.60419089      0.34667115
+H      2.82283402     -1.93812933     -0.94679370
+H      4.40087427      0.55310159      0.29294985
+H      2.07733725      2.57639944     -0.14675639
+H      5.18102574      2.67107328      0.23205383 
+
+18
+-1754.081554951374 11.467722 12.47868 -8.7325 -6.6775 -10.165 1.1114 -0.671 0.295 9.61411 0.42741 3.740223669 11.9050241326 0.168124715
+C      0.87519093     -0.42856240     -0.18101175
+N      2.30854894     -0.24570169     -0.39621054
+C      2.75200876     -0.97207343     -1.58571942
+C      2.65871697      1.16890462     -0.49266413
+C      4.15808287      1.45714390     -0.33712288
+C      4.90166414      0.68638102      0.73020046
+O      4.69288673      2.32322729     -1.01417332
+H      0.56989962      0.07944589      0.74482122
+H      0.65535123     -1.50021311     -0.07139991
+H      0.25480077     -0.03423391     -1.01606547
+H      2.53142613     -2.04232037     -1.46789074
+H      3.83801833     -0.86044991     -1.71704025
+H      2.25902365     -0.61234835     -2.51575664
+H      2.16132833      1.70462006      0.33584764
+H      2.32399875      1.64629567     -1.43867531
+H      4.54194754      1.01432644      1.71908704
+H      5.97604485      0.88319221      0.65275270
+H      4.68016147     -0.38721391      0.66907131 
+
+18
+-1747.750802886442 11.592128 12.69808 -8.5194 -6.4658 -9.924 1.2353 -0.8177 -0.018 10.0939 0.63428 3.6774619558 8.1998637044 0.136022977
+C      1.16374051     -1.09676732      0.77033146
+N      2.20039219     -0.39574549      0.01787436
+C      3.12574569     -1.35268304     -0.58326911
+C      1.64061779      0.49091438     -1.00562809
+C      0.92949758      1.70180917     -0.40885222
+C      0.60516493      2.78700966     -1.40278263
+O      0.87636728      2.75971632     -2.58987755
+H      0.51657289     -0.38241134      1.29767077
+H      1.63399857     -1.73844801      1.52861090
+H      0.52068642     -1.73820628      0.12529811
+H      3.57813954     -1.97139145      0.20501677
+H      3.93182389     -0.81401324     -1.10153220
+H      2.63592456     -2.03288293     -1.31589384
+H      0.94885903     -0.04962784     -1.69109937
+H      2.46969804      0.85378518     -1.63107829
+H      1.55273291      2.15827073      0.38342387
+H     -0.01824967      1.43854754      0.09437298
+H      0.07668785      3.67294397     -0.96172593 
+
+16
+-1627.0336431597293 11.500048 12.08287 -9.1336 -7.2194 -9.756 1.3543 -0.3062 0.366 9.70428 0.27004 4.3361995738 6.6732736808 0.346661763
+C      0.97863109      0.43601642      0.02428765
+N      2.42496855      0.51118044      0.14310686
+C      3.20858734     -0.70654729     -0.08226773
+C      3.17724122     -1.15393980     -1.51748347
+C      2.74180228     -2.34937784     -1.92926845
+C      3.06005668      1.67618305      0.48408687
+O      4.27214455      1.81877209      0.61501155
+H      0.55093879      1.43164242      0.19937959
+H      0.55776728     -0.26181344      0.76680852
+H      0.68201627      0.09596430     -0.97918032
+H      2.83649825     -1.50724628      0.57925950
+H      4.23679066     -0.45189205      0.21812692
+H      3.55405668     -0.42682631     -2.24500403
+H      2.36133290     -3.09085332     -1.22147235
+H      2.76213851     -2.63371524     -2.98205782
+H      2.33533895      2.50944286      0.63539670 
+
+14
+-1468.231953169643 10.924079 11.75391 -9.3695 -7.442 -10.119 0.9174 -0.2616 0.34 9.83222 0.28901 4.3335338748 10.8670505364 0.471635207
+C      1.24584840      0.09202356     -0.40204130
+N      2.63593684      0.23933410      0.00487864
+C      3.48806285     -0.94574323      0.01693519
+C      3.70846736     -1.52628169     -1.30958187
+C      3.88286962     -2.01440584     -2.40619034
+C      3.15042321      1.47433640      0.30990715
+O      2.52312540      2.52647537      0.31013857
+H      0.78509824      1.08539883     -0.36731001
+H      0.71337914     -0.58605320      0.28320088
+H      1.18325304     -0.31106756     -1.42369469
+H      3.04711222     -1.71150344      0.68036110
+H      4.45553386     -0.65990292      0.46092894
+H      4.04179761     -2.43793260     -3.37719795
+H      4.23170223      1.41367222      0.57553568 
+
+16
+-1630.5456466402225 12.687688 12.60343 -8.0473 -6.2188 -8.675 0.7437 -0.8194 -0.561 8.09406 1.25255 3.5462723692 4.2614112186 0.476438715
+C      1.22497824     -0.30093269     -0.22958249
+N      2.66145994     -0.16466551     -0.05773122
+C      3.28913146      1.03007077      0.10050510
+C      4.64289723      1.23648131      0.06879995
+C      5.63572896      0.14042939     -0.19246309
+C      5.10312295      2.59198319      0.30578050
+O      6.27915982      2.96182705      0.31001206
+H      0.88600902     -1.25942712      0.18593666
+H      0.91748612     -0.24692437     -1.28809903
+H      0.71785122      0.50304292      0.31953858
+H      3.23827046     -0.95882112     -0.32299823
+H      2.62193515      1.87661247      0.29476751
+H      5.59178521     -0.64990293      0.57578119
+H      6.64720597      0.56808557     -0.18055821
+H      5.47893707     -0.33662647     -1.17467708
+H      4.27768116      3.33052755      0.49305780 
+
+16
+-1630.7801546524906 12.664804 12.69864 -8.1565 -6.3146 -8.961 0.612 -0.9363 -0.463 8.82742 1.12305 3.5411889432 4.5157189032 0.463605667
+C      1.14623198     -1.10209857      0.35017281
+N      2.34051465     -0.41149149     -0.10680482
+C      2.61260379      0.88602743      0.21501149
+C      3.81952512      1.50783682      0.08902423
+C      4.05927160      2.91608517      0.37778690
+C      2.90003092      3.79254015      0.85007692
+O      5.18870750      3.40558941      0.24840362
+H      0.91542446     -1.93444099     -0.32727069
+H      0.29604130     -0.40773514      0.33041852
+H      1.24547184     -1.50008282      1.37512709
+H      3.13635079     -0.99389422     -0.35681812
+H      1.73895835      1.44007281      0.57144945
+H      4.69657410      0.94962258     -0.25102779
+H      2.47300281      3.41884001      1.79287221
+H      2.09185247      3.82553553      0.10441431
+H      3.28002831      4.80733333      1.00956385 
+
+16
+-1609.1653877950055 11.459674 12.15316 -8.8932 -6.821 -9.923 0.5947 -1.2677 -0.191 9.91299 0.83398 3.6506933784 6.6981328738 0.223954809
+C      1.68648027     -0.40337677      1.47175999
+N      3.04571438      0.11326116      1.35435511
+C      3.13554552      1.43964208      0.78466385
+C      2.94125507      2.52742226      1.81575426
+C      2.15876168      3.59980252      1.65429148
+C      4.47445148      1.62912610      0.07194436
+O      5.25696975      0.72457596     -0.14687031
+H      1.72250178     -1.43040374      1.85900347
+H      1.12195724     -0.41058229      0.51541317
+H      1.11675662      0.20336450      2.19140807
+H      3.65426881     -0.51448134      0.82189751
+H      2.39514987      1.62085733     -0.03776562
+H      3.51307410      2.38301407      2.73791962
+H      1.56567755      3.74389309      0.74726745
+H      2.07896424      4.36694941      2.42550861
+H      4.67285165      2.67652566     -0.26226103 
+
+20
+-1887.1648528590279 11.778893 12.83821 -9.0402 -6.9258 -10.163 0.7939 -0.1588 2.94 9.4705 -2.64923 8.0687237122 10.9965787106 0.151017565
+C      0.68587483      0.20192503      1.19998518
+N      1.92254712      0.70431592      1.80636470
+C      2.83761026      1.39794740      0.86665847
+C      2.16921110      2.64165077      0.27422097
+C      4.14476290      1.72770816      1.61453156
+C      3.99193232      2.71065042      2.78010301
+O      3.13256893      2.23252815      3.81374710
+H      0.17333013     -0.44975541      1.91985059
+H      0.85593357     -0.37238608      0.26646519
+H      0.00807294      1.03469437      0.96954954
+H      2.43488592     -0.09249272      2.19616662
+H      3.09343932      0.72395825      0.01794659
+H      1.79254783      3.30908665      1.06281081
+H      1.32626142      2.37598022     -0.37767818
+H      2.89182059      3.20080526     -0.33675317
+H      4.86534853      2.14174218      0.88966931
+H      4.58454794      0.78905356      1.99559339
+H      3.64242504      3.69152548      2.39868275
+H      4.97846189      2.88475833      3.23882313
+H      2.38304744      1.79235405      3.34253245 
+
+16
+-1627.3909557152044 12.706833 12.51034 -7.9453 -6.1983 -8.817 0.7012 -0.8741 -0.517 8.11759 1.22926 3.5267445742 4.331698882 0.520823052
+C      0.96827148      0.58433765     -1.14144141
+N      2.28264613      0.59346763     -0.52424561
+C      3.06581088      1.69408132     -0.29840605
+C      2.48362966      3.00727344     -0.74289765
+C      4.29830863      1.54976301      0.29957916
+C      5.22840001      2.60516258      0.60361303
+O      6.32768326      2.43524293      1.14262950
+H      0.61423544     -0.45190072     -1.18042213
+H      0.98939271      0.97028081     -2.17297368
+H      0.23252946      1.16872425     -0.56617657
+H      2.66266711     -0.29941019     -0.22640078
+H      1.52887795      3.20467268     -0.23297824
+H      2.28158099      2.99900699     -1.82444974
+H      3.16192128      3.83683664     -0.52959277
+H      4.62984358      0.54574861      0.58370110
+H      4.91299144      3.64364238      0.32454182 
+
+20
+-1887.8152657857386 11.641434 12.71276 -9.014 -6.9454 -10.076 0.7912 -0.1557 2.756 9.28556 -2.42871 7.7284317366 10.505209794 0.079341165
+C      2.80313591     -0.76710105      1.13658989
+N      2.68746946      0.04015957     -0.08089685
+C      3.05836179      1.47830788      0.01186944
+C      2.52410016      2.15241164     -1.25925370
+C      2.51992186      2.20061978      1.25614752
+C      4.60913178      1.51797938      0.01107792
+O      5.14446136      0.69314879     -1.01384041
+H      2.53429530     -1.80474176      0.89527209
+H      2.16666917     -0.43427436      1.97745120
+H      3.84670479     -0.77542755      1.48293906
+H      1.74232507     -0.03848113     -0.46046458
+H      2.96043876      1.69054561     -2.15503234
+H      2.77811140      3.22127089     -1.26416724
+H      1.42728791      2.06821056     -1.31536313
+H      2.88622142      1.74641304      2.18766098
+H      1.41943009      2.18729382      1.27608463
+H      2.84087463      3.25309718      1.25396352
+H      4.98444620      1.20529104      1.00739379
+H      4.95423533      2.55047404     -0.15919546
+H      4.47366762     -0.02765736     -1.08324631 
+
+18
+-1754.3966725881658 11.236718 12.21629 -8.9688 -6.8637 -10.336 1.0625 -0.834 0.123 9.90021 0.54025 3.7301312086 8.228516869 0.108880515
+C      2.93751958     -0.51211763      1.42431418
+N      2.66029167      0.20056899      0.17601812
+C      3.05143278      1.61989102      0.13410079
+C      2.52472782      2.19361210     -1.19749736
+C      2.59193369      2.48386264      1.31562872
+C      4.58222106      1.63215460     -0.00484628
+O      5.33966266      2.39664659      0.55953434
+H      2.65912423     -1.56723825      1.29650918
+H      2.41007442     -0.12203353      2.31563270
+H      4.01735812     -0.48475448      1.63545323
+H      1.67024663      0.11749244     -0.06447732
+H      2.89704958      1.60863251     -2.05027252
+H      2.82380387      3.24255101     -1.32031853
+H      1.42442815      2.14839727     -1.20465765
+H      2.96920580      2.09645406      2.27107076
+H      1.49335095      2.51651930      1.35900195
+H      2.97119882      3.50895578      1.21205029
+H      4.95154018      0.85144558     -0.72092459 
+
+20
+-1887.8118342770072 11.869889 13.06763 -8.485 -6.388 -9.987 0.9048 -0.0715 2.978 9.23392 -2.67285 7.9991055732 10.4602276732 0.130684355
+C      1.17689526     -0.27415172      0.11019409
+N      2.61455149     -0.07359121      0.27876228
+C      3.03150768      1.33070737      0.18598664
+C      2.56411189      2.14204699      1.39634049
+C      4.56041827      1.39612854      0.01197139
+C      5.36073198      0.79826918      1.16568099
+O      4.83894845      0.70715059     -1.22838999
+H      0.97436233     -1.34872560      0.00097146
+H      0.74985106      0.25098728     -0.77215125
+H      0.63047222      0.07012554      1.00096896
+H      3.10334941     -0.56834914     -0.47261002
+H      2.60753341      1.80888221     -0.72799534
+H      2.87695292      1.66359344      2.33544289
+H      1.46987029      2.23346179      1.41209759
+H      2.97633431      3.16133210      1.36229425
+H      4.82602353      2.46533159     -0.10201974
+H      5.06756946     -0.24450010      1.34309401
+H      5.20123108      1.36644829      2.09281083
+H      6.43861626      0.83748338      0.94364718
+H      5.80155870      0.58712948     -1.28962670 
+
+18
+-1761.4011142236586 11.296471 12.41178 -8.6396 -6.541 -9.999 1.085 -0.6744 0.255 9.58375 0.47534 3.7189104756 8.070372726 0.14806526
+C      2.87381138     -1.23620479      1.10333818
+N      2.74063803      0.16632551      1.50987771
+C      3.16735546      1.10987820      0.48325996
+C      2.77068260      2.54056873      0.88689256
+C      4.69084861      1.09382720      0.21418558
+C      5.15558860      1.45791435     -1.17964289
+O      5.47629948      0.80081480      1.10535945
+H      2.55963356     -1.88119990      1.93532092
+H      3.89758136     -1.53700854      0.80543266
+H      2.19524926     -1.43410314      0.25909014
+H      3.33314929      0.32327716      2.33220647
+H      2.64545358      0.85010636     -0.45561244
+H      3.26881859      2.81803089      1.82763142
+H      1.68520084      2.58584030      1.04206814
+H      3.05174597      3.27853178      0.12266293
+H      4.57703060      2.29411666     -1.59745447
+H      4.98296589      0.59225123     -1.83959492
+H      6.22594690      1.69346321     -1.17893140 
+
+18
+-1753.5293353228408 11.404512 12.53447 -8.852 -6.7062 -10.301 1.1486 -0.8747 -0.04 10.10024 0.66745 3.6789249906 8.201921872 0.168229066
+C      0.93184938     -0.04576134      0.11497396
+N      2.38561069      0.08416836      0.23129728
+C      2.86396729      1.47858610      0.24243601
+C      2.43655997      2.18992397      1.52922097
+C      4.38834685      1.45226329      0.10887408
+C      5.06585733      2.76863531     -0.17454268
+O      4.50734559      3.83155557     -0.37789361
+H      0.68132460     -1.09781140     -0.07732998
+H      0.48739713      0.57214190     -0.69393599
+H      0.44523064      0.23618424      1.05948571
+H      2.81257181     -0.39154779     -0.56801056
+H      2.45525087      2.05498516     -0.61676045
+H      2.80940375      1.64131620      2.40758214
+H      1.34302157      2.25615995      1.60589724
+H      2.82931554      3.21418968      1.54497766
+H      4.70069636      0.77937357     -0.71500082
+H      4.85506052      1.01314995      1.01014441
+H      6.18611009      2.70427729     -0.20478536 
+
+18
+-1741.6369815177422 12.342385 13.51252 -8.885 -6.7306 -9.427 1.2871 -0.2253 1.187 8.89046 -0.56843 6.4033065644 6.4033065644 0.386107427
+C      1.07013783     -0.26127705     -0.00548663
+N      2.52504665     -0.12866497      0.02515909
+C      2.97093912      1.25205933     -0.18363261
+C      4.46544229      1.35180668     -0.11047137
+C      5.24479578      1.86895175     -1.07160932
+C      6.73707838      1.96615025     -0.98473709
+O      7.39330921      1.25758274     -2.05312907
+H      0.79636848     -1.32193755      0.07892486
+H      0.59312786      0.15071854     -0.92005579
+H      0.63747896      0.26347978      0.86042999
+H      2.93595511     -0.71647687     -0.70446995
+H      2.52912172      1.85916290      0.62850013
+H      2.60906673      1.69419470     -1.13817121
+H      4.92303017      0.96376536      0.80769122
+H      4.79239025      2.23864659     -1.99975935
+H      7.08597989      1.61247632      0.00317166
+H      7.06586105      3.01092713     -1.10060907
+H      7.07035050      0.33906435     -2.02203547 
+
+16
+-1614.2155833581653 12.244656 12.94289 -9.2279 -7.0845 -10.163 -0.0913 -1.8497 -0.808 9.52365 1.39526 3.4407726818 5.3812031762 0.575922455
+C      1.22970464     -0.42649262      0.09511307
+N      2.68444478     -0.29719508      0.02157172
+C      3.11314936      1.04823154     -0.36059282
+C      4.60369866      1.16433663     -0.32883601
+C      5.36839082      1.70439632     -1.29725226
+C      6.82627366      1.78412549     -1.15022686
+O      7.58357294      2.26683776     -1.98206168
+H      0.96804586     -1.46993391      0.31588659
+H      0.69713710     -0.12051829     -0.82922483
+H      0.85027904      0.19399931      0.92146326
+H      3.05198232     -0.96649139     -0.65920830
+H      2.70184257      1.74620057      0.39414736
+H      2.72030816      1.38663280     -1.34383254
+H      5.08695770      0.76501192      0.57163584
+H      4.94054841      2.10272975     -2.22220286
+H      7.22037398      1.35529919     -0.19137968 
+
+18
+-1743.6189020396648 11.959559 12.72125 -9.2216 -7.1101 -9.538 1.0548 -0.3047 1.225 8.91534 -0.59728 6.5389968428 6.5389968428 0.42316822
+C      1.32376083     -0.17806333      0.00561061
+N      2.74941647     -0.41052217     -0.23995811
+C      3.55255967      0.82798747     -0.16065935
+C      5.02832052      0.52634455     -0.28333775
+C      5.76909012      1.04235332     -1.27399709
+C      5.61418584     -0.36397759      0.79098328
+O      5.00667608     -1.65742113      0.84943527
+H      0.76963519     -1.11520370     -0.13715541
+H      0.88186896      0.59703033     -0.65144424
+H      1.18255085      0.14178986      1.04849842
+H      2.87271565     -0.80903133     -1.17554204
+H      3.35642620      1.26786971      0.83430740
+H      3.24543150      1.58197011     -0.91385551
+H      5.33502805      1.70567269     -2.02620057
+H      6.83691951      0.82980619     -1.35561894
+H      5.51045564      0.15660260      1.76786791
+H      6.68980633     -0.51360692      0.61231188
+H      4.04677261     -1.50055067      0.66504426 
+
+16
+-1613.763028131252 11.564877 12.27484 -9.0374 -6.8525 -10.004 -0.0634 -1.842 -0.868 9.77193 1.43151 3.4175625026 5.2585066306 0.393243824
+C      2.57150293     -0.47537469      1.16831439
+N      3.84536683     -1.10057008      0.81269359
+C      4.65960170     -0.24832514     -0.04535374
+C      6.01043459     -0.83509399     -0.35533284
+C      6.51438243     -1.94842189      0.21077603
+C      6.84856188     -0.12602655     -1.34873611
+O      6.52238175      0.90020373     -1.92886724
+H      1.96597629     -1.18492797      1.74814298
+H      1.97346702     -0.13370884      0.29817813
+H      2.76160174      0.40023743      1.80745371
+H      3.65917764     -1.97990588      0.32230306
+H      4.81612109      0.71629798      0.47026805
+H      4.17059063      0.02251415     -1.00612203
+H      5.96224677     -2.50285581      0.96986217
+H      7.50656613     -2.30802877     -0.07135838
+H      7.84392059     -0.60546368     -1.53686177 
+
+20
+-1887.95060947665 11.92305 13.13084 -9.0956 -6.9468 -10.153 0.8184 -0.1203 2.851 9.48347 -2.56397 8.1079652812 11.6929832754 0.133094862
+C      1.29566810      2.53445745      0.34789222
+N      2.70209340      2.30790052      0.69085280
+C      3.43053094      1.55849138     -0.34903929
+C      4.92685310      1.42708863     -0.02880761
+C      5.61902079      0.54742882     -1.07515659
+C      5.60838080      2.80385215      0.05715473
+O      5.10811850      3.63228861      1.10012501
+H      0.78671093      3.02792826      1.18663651
+H      0.74594801      1.60447502      0.09867862
+H      1.23744961      3.20409993     -0.52290048
+H      2.74965814      1.77507923      1.56463929
+H      3.31484496      2.11645931     -1.29634956
+H      2.98753772      0.55307362     -0.52018785
+H      5.02771228      0.94477845      0.96220332
+H      5.56797776      1.00671867     -2.07543734
+H      5.15018966     -0.44536193     -1.13989558
+H      6.68069026      0.40244830     -0.82942024
+H      5.51241612      3.30280110     -0.93281408
+H      6.68646514      2.66798850      0.24456141
+H      4.12542381      3.51422400      1.06602469 
+
+20
+-1889.4997104686784 11.918971 13.18552 -8.8435 -6.6851 -10.156 0.8893 -0.0648 2.825 9.44536 -2.50011 8.1012824358 12.545337431 0.074730125
+C      1.28418453      1.12272443     -1.38381739
+N      2.59006553      1.69642286     -1.05774569
+C      3.30063741      0.95206874     -0.01543125
+C      4.79305451      1.35942625      0.04699465
+C      5.41337698      0.88968283      1.35977669
+C      5.55752382      0.80757909     -1.16134194
+O      4.88833005      2.80595451      0.06307647
+H      0.77095553      1.76829429     -2.11032811
+H      0.61542370      0.98718815     -0.50788101
+H      1.42294923      0.13693363     -1.85378753
+H      2.44717169      2.64891577     -0.71222327
+H      3.23526251     -0.12196619     -0.25668299
+H      2.84476741      1.08640197      0.98821279
+H      4.91317590      1.37191208      2.21125641
+H      6.48020364      1.15079714      1.39214345
+H      5.31662312     -0.20004378      1.46835547
+H      5.06031903      1.10847511     -2.09580401
+H      5.59547800     -0.29166274     -1.13650088
+H      6.58754499      1.19074958     -1.16224943
+H      4.65559243      3.09853628     -0.83722242 
+
+18
+-1752.9389584873581 11.461805 12.67774 -8.8832 -6.6978 -10.287 1.0037 -0.9036 0.011 10.03366 0.6343 3.6869344862 8.3298258296 0.100950024
+C      1.95919571     -0.59365373      0.61719774
+N      3.41812130     -0.56787614      0.51256770
+C      3.90324493      0.62845547     -0.17542559
+C      5.43053265      0.69492402     -0.18241172
+C      6.10705144     -0.41131888     -1.01056935
+C      5.94322959      2.05115031     -0.62438532
+O      5.25847211      3.02621857     -0.87130272
+H      1.64039233     -1.53992541      1.07561091
+H      1.43116315     -0.47978187     -0.35287904
+H      1.62693839      0.22459786      1.27419924
+H      3.72143087     -1.39948072      0.00030012
+H      3.51548312      1.50986270      0.35930070
+H      3.52896350      0.71728619     -1.21990793
+H      5.78379184      0.58715638      0.86374351
+H      5.72317393     -0.41926810     -2.04205170
+H      5.93406053     -1.40059724     -0.56633060
+H      7.19645924     -0.26424760     -1.05625687
+H      7.06267539      2.10694817     -0.70576907 
+
+16
+-1584.875268522702 11.986439 13.75016 -8.9958 -6.8372 -9.502 0.8251 -0.2318 2.165 9.08938 -1.74157 4.1940372262 10.0685806964 0.367557332
+C      0.98960594      0.00245377     -0.29142289
+N      2.44793840      0.00717154     -0.20644007
+C      2.95855340      1.27809817      0.32411038
+C      4.41225672      1.36587114      0.26237595
+C      5.62360440      1.46496417      0.20284079
+C      7.07426304      1.57200433      0.09144221
+O      7.51516599      2.48547694     -0.92653009
+H      0.65517620     -0.93580813     -0.75377379
+H      0.56198787      0.85051444     -0.86832142
+H      0.56364479      0.04298216      0.72355905
+H      2.85033954     -0.14121224     -1.13475041
+H      2.63422592      1.36236398      1.37731126
+H      2.53161897      2.16677146     -0.19580461
+H      7.50038983      0.56365343     -0.07167667
+H      7.49943968      1.95345005      1.03259403
+H      7.01161931      2.27848481     -1.73395369 
+
+14
+-1452.6304937151303 11.857051 13.1449 -9.341 -7.2049 -10.235 -0.1213 -1.9954 -0.7 9.77629 1.29729 3.545503656 10.5416864752 0.727392015
+C      0.96359345     -0.01929617     -0.04258414
+N      2.42015184     -0.01219979      0.08412247
+C      2.96636332      1.34403694     -0.01047243
+C      4.41896052      1.37087474     -0.00351720
+C      5.63781417      1.42901501     -0.02749311
+C      7.07458405      1.43146528     -0.03218333
+O      7.76569440      2.44180832     -0.08081463
+H      0.60647060     -1.05720086     -0.03856970
+H      0.58243241      0.48026100     -0.95785067
+H      0.51830866      0.48845010      0.82680109
+H      2.83614747     -0.58681782     -0.65240937
+H      2.60230744      1.92721940      0.85539159
+H      2.62044505      1.90234344     -0.91174278
+H      7.53307660      0.41420041      0.01355222 
+
+20
+-1889.189436746497 11.869929 12.9777 -9.0713 -6.9268 -10.155 0.809 -0.1443 2.977 9.48986 -2.69933 8.1538524998 11.9326854092 0.120623267
+C      1.00110186      1.68826036      1.43204578
+N      2.44903839      1.89164043      1.35312299
+C      3.03299984      1.37652469      0.10084056
+C      4.52651782      1.69947413      0.00595723
+C      4.86665943      3.20384962     -0.00260990
+C      4.31408854      3.94481346     -1.22560068
+O      4.45787232      3.84026709      1.21465653
+H      0.63563020      2.01427571      2.41499397
+H      0.69198183      0.63583753      1.27203296
+H      0.50537743      2.30472506      0.66748417
+H      2.89822006      1.41377580      2.14031039
+H      2.48789481      1.85254376     -0.73114135
+H      2.87393653      0.28298505     -0.01118813
+H      4.92741150      1.23109233     -0.90788333
+H      5.05472140      1.23266371      0.85511876
+H      5.96757781      3.28969856     -0.02559662
+H      3.21431688      3.92154155     -1.25123360
+H      4.69310719      3.51107477     -2.16438894
+H      4.62106295      4.99833363     -1.18130913
+H      3.56791320      3.45789274      1.41778833 
+
+18
+-1760.5316273417773 11.51809 13.02878 -8.8219 -6.6125 -10.229 1.261 -0.5611 0.232 9.67726 0.48412 3.7393433684 11.422892173 0.214547799
+C      1.90227700     -0.64973805      0.58664856
+N      3.30269045     -0.55270898      0.17731363
+C      3.79671332      0.82503293      0.19856832
+C      5.25848465      0.87806797     -0.22739906
+C      5.90422703      2.24884792     -0.08398898
+C      7.35573533      2.35146263     -0.51637686
+O      5.29679425      3.21162829      0.36333449
+H      1.56256223     -1.69049112      0.49329447
+H      1.21128297     -0.00223565      0.00666744
+H      1.81325277     -0.36402203      1.64606740
+H      3.39679616     -0.92774148     -0.77074322
+H      3.70863679      1.20509015      1.22899648
+H      3.19824671      1.51654570     -0.43192437
+H      5.37913965      0.55440097     -1.27777875
+H      5.84608776      0.15345304      0.36391489
+H      7.97860292      1.67436530      0.08799682
+H      7.70979861      3.38104329     -0.39682494
+H      7.47039139      2.03634911     -1.56438633 
+
+18
+-1753.8222042101631 11.411412 12.52233 -8.8217 -6.6428 -10.174 1.356 -0.6784 0.015 10.06359 0.6034 3.687529619 11.7148420072 0.143491312
+C      0.82567561      2.32830767     -0.47770952
+N      1.79160365      1.36889777      0.05438054
+C      3.17863643      1.81900662     -0.08957183
+C      4.16389931      0.74860611      0.38928625
+C      4.08961764     -0.54089707     -0.42831334
+C      4.77640211     -0.49265194     -1.76845039
+O      5.39430961      0.45851021     -2.21470121
+H     -0.19542719      1.97053968     -0.28495088
+H      0.95200012      2.40413948     -1.56862855
+H      0.92158921      3.35218692     -0.05834344
+H      1.59709536      1.21814561      1.04851784
+H      3.37943220      2.76995318      0.45095648
+H      3.35589837      2.02708631     -1.15740444
+H      3.96226429      0.51902235      1.44911222
+H      5.18374193      1.15890275      0.33944210
+H      3.03559440     -0.82266237     -0.60830627
+H      4.52701537     -1.40183911      0.11039349
+H      4.68995156     -1.43926418     -2.36483906 
+
+15
+-1458.304671415874 13.404691 12.68497 -8.1962 -6.2963 -8.71 0.531 -0.9978 -0.194 8.16257 0.7406 4.3200317994 4.8223858756 0.602095448
+C      0.79652940      2.09955596     -0.67089088
+N      2.09409411      1.59913254     -0.26815674
+C      3.06173080      2.44509280     -0.21276770
+C      4.40512407      2.05854893      0.15270018
+C      5.41942424      2.95620076      0.21453322
+N      6.68592502      2.68276915      0.71076380
+O      7.71938959      3.39275843     -0.00630615
+H      0.05761852      1.87733330      0.11602315
+H      0.46056338      1.56174775     -1.57239068
+H      0.77644400      3.18841129     -0.88000729
+H      2.90771236      3.51924243     -0.45596636
+H      4.56627113      1.00413810      0.39418365
+H      5.27288103      4.00764207     -0.04517726
+H      6.92775286      1.68722695      0.67579220
+H      8.19401948      3.85420956      0.71072686 
+
+15
+-1464.8416223929544 12.348004 11.93973 -7.7005 -5.8713 -8.695 1.5285 -0.0704 0.391 7.91357 0.19059 4.975248215 4.975248215 0.439700313
+C      1.31376176      0.16932360      0.31905599
+N      2.75266714      0.06206763      0.11435372
+C      3.37097742     -1.18032238      0.20758568
+C      2.76388568     -2.35253595      0.47598863
+C      3.50113087      1.18395329     -0.18598081
+N      2.97211166      2.35522812     -0.30079232
+O      3.99778562      3.30373950     -0.60468641
+H      1.02826234      1.22179734      0.23930233
+H      1.04694718     -0.21319313      1.31578841
+H      0.77657461     -0.41729740     -0.44200756
+H      4.44931687     -1.13967806      0.03914332
+H      1.69304016     -2.44415666      0.64758423
+H      3.36345879     -3.25808290      0.52540336
+H      4.57526810      1.01311996     -0.31934883
+H      3.48389180      4.12738705     -0.67010973 
+
+15
+-1522.3543307342595 11.334256 11.42965 -8.4618 -6.555 -9.099 1.0584 -0.3272 0.267 8.49025 0.32262 4.6227932128 5.183730674 0.345084435
+C      1.03305477     -0.01178079     -0.21940203
+N      2.47003255      0.08117788      0.01623589
+C      3.19951192     -1.09044793      0.22321699
+C      2.73768622     -2.34498041      0.06478072
+C      3.04335732      1.36328377      0.05269872
+N      4.43670167      1.39191219      0.08554781
+O      2.36599928      2.38791108      0.09460252
+H      0.63366853      1.00564186     -0.25296296
+H      0.55509888     -0.57387024      0.59632946
+H      0.83107234     -0.52464218     -1.17248323
+H      4.20917880     -0.92606383      0.59965111
+H      1.73119750     -2.57159872     -0.28224098
+H      3.39088423     -3.18222325      0.30036806
+H      4.93640240      0.70638060     -0.47504816
+H      4.78048359      2.34213997     -0.02763391 
+
+17
+-1603.9641700657924 11.410933 11.99678 -7.7974 -5.9561 -9.377 0.8777 -0.0739 0.826 8.61974 -0.15749 5.4590291884 12.757415484 0.150977087
+C      0.99564300     -0.07261469     -0.06226100
+N      2.42059374     -0.01529734      0.25836358
+C      3.17225173     -1.15475022     -0.25832011
+C      3.05015787      1.23207850      0.19582478
+C      2.34032524      2.41907089      0.78625302
+N      4.24686141      1.26703303     -0.31098310
+O      4.82344009      2.57548232     -0.17838032
+H      0.80726436     -0.03426135     -1.15383829
+H      0.45613846      0.75602118      0.40945476
+H      0.58043285     -1.01336426      0.32562229
+H      2.64676217     -2.07510781      0.03070688
+H      4.18014381     -1.15339051      0.17204062
+H      3.27625681     -1.13047947     -1.35971247
+H      1.67098746      2.11482009      1.59976598
+H      1.75280572      2.95601350      0.02593585
+H      3.08499203      3.12232350      1.17665306
+H      5.71131322      2.41570263     -0.54012553 
+
+17
+-1593.4138147401072 11.627012 12.27804 -8.5691 -6.5291 -10.06 1.4803 -0.3043 0.495 9.24307 0.10943 5.5192491886 6.6566595568 0.173748083
+C      0.91095601     -0.32390639      0.28594699
+N      2.22949094     -0.34519843     -0.34440228
+C      2.34521637     -1.46713454     -1.27031365
+C      2.52497019      0.92402677     -1.01662162
+C      2.73744338      2.03412302     -0.03261276
+N      2.05254571      3.11236232     -0.13818625
+O      2.42259303      4.05083683      0.85802800
+H      0.84396024      0.51505569      0.99153029
+H      0.75886826     -1.25733594      0.84607665
+H      0.08418938     -0.21968517     -0.45187770
+H      2.17388357     -2.40821128     -0.72834488
+H      3.35870200     -1.49821962     -1.69561145
+H      1.61577202     -1.41734246     -2.10986453
+H      1.74006289      1.22656455     -1.74405949
+H      3.46192950      0.78455948     -1.58366501
+H      3.48483747      1.90116657      0.76206511
+H      1.82773903      4.79643862      0.65941259 
+
+17
+-1649.1656810592408 11.002671 11.79659 -8.8368 -6.8077 -10.19 0.7619 -0.212 0.625 9.62782 0.02091 4.3620382562 12.5112288824 0.312994706
+C      1.46066698     -0.38027685      0.25924646
+N      2.51450900     -0.27461747     -0.75037173
+C      2.24140732     -1.16813540     -1.87937755
+C      2.69712438      1.10477042     -1.20764355
+C      4.08685824      1.38912772     -1.79890450
+N      5.05844973      0.55127462     -1.33686327
+O      4.28323536      2.32485643     -2.57136598
+H      1.70412394      0.25873771      1.11931367
+H      1.39434983     -1.41929309      0.61260330
+H      0.46125310     -0.08454632     -0.12562484
+H      2.19636289     -2.20818590     -1.52634824
+H      3.04716882     -1.09211294     -2.62242977
+H      1.28142652     -0.92844652     -2.38472502
+H      2.59048154      1.78117846     -0.34466912
+H      1.94939345      1.42369638     -1.96093458
+H      4.77673483     -0.22884176     -0.74608759
+H      6.00773404      0.65172451     -1.67903769 
+
+15
+-1522.1704511749244 12.095906 12.13043 -7.9495 -6.115 -8.86 1.125 -0.4209 -0.073 8.22221 0.69919 4.1743978438 4.6428045532 0.373191397
+C      1.72176797     -0.91472211      1.21127204
+N      2.75287062     -0.37813224      0.33734733
+C      3.25718078      0.87832971      0.49135465
+C      4.38590544      1.38919308     -0.06772848
+C      4.72171001      2.79919058      0.17646796
+N      5.89852861      3.23247880     -0.42739327
+O      4.06212503      3.56306065      0.89305018
+H      1.16595176     -1.70560978      0.69038324
+H      1.01347246     -0.11503515      1.46388673
+H      2.12725694     -1.32821567      2.15137696
+H      3.34140093     -1.05780807     -0.13800043
+H      2.65711102      1.55212621      1.11181221
+H      5.04460381      0.77217713     -0.68483662
+H      6.25771273      2.72992474     -1.23344516
+H      6.03022189      4.24010214     -0.42953735 
+
+17
+-1599.2145405189106 11.573902 12.33047 -8.9199 -6.8005 -10.446 1.3663 -0.3163 0.501 10.13944 0.11344 5.5438356124 6.636536629 0.136868011
+C      1.29436734     -0.16367431      0.34169817
+N      2.67732480      0.11295458      0.73503960
+C      3.11706111      1.49180981      0.45276578
+C      2.37030142      2.50082483      1.33697270
+C      4.59264014      1.56922242      0.72963078
+N      5.39753089      1.86032755     -0.22347619
+O      6.73999324      1.89862866      0.23446813
+H      1.11314499     -1.24422114      0.41893133
+H      1.04577940      0.15811898     -0.69171682
+H      0.59326109      0.33214008      1.02803834
+H      3.29436916     -0.51973025      0.22040119
+H      2.96034341      1.77103749     -0.61133521
+H      2.50760839      2.25532190      2.40033458
+H      1.29396835      2.49956278      1.11858014
+H      2.74741498      3.51585371      1.15377140
+H      4.95048638      1.36725513      1.74951372
+H      7.22165492      2.12688776     -0.58104765 
+
+17
+-1654.4073081270426 10.869618 11.7665 -9.1498 -7.0612 -10.517 0.774 -0.1923 0.631 9.58574 0.02965 4.3713248076 12.1647748026 0.142743
+C      1.73907113     -0.34277924      1.10509973
+N      3.05739913      0.17154862      0.71723436
+C      3.04943770      1.55912722      0.21874947
+C      2.47504073      2.53700076      1.25223868
+C      4.47635665      2.02212078     -0.13775137
+N      5.46749149      1.31267624      0.47707204
+O      4.67635415      2.96782491     -0.89742347
+H      1.82023812     -1.42296539      1.28596574
+H      0.95129916     -0.17701982      0.34261512
+H      1.40877296      0.12289232      2.04317265
+H      3.41454886     -0.42253022     -0.03637280
+H      2.46403228      1.66754190     -0.71721070
+H      2.99534775      2.43255508      2.21599333
+H      1.40201861      2.36840539      1.41249484
+H      2.60620781      3.56340810      0.88723236
+H      5.20447477      0.60301781      1.15819044
+H      6.42780871      1.62389555      0.37742958 
+
+17
+-1603.3869318386326 11.453053 12.30132 -8.9472 -6.7765 -10.313 1.2632 -0.069 0.666 9.71745 0.01721 5.5686824068 6.473619025 0.179919701
+C      0.97993414      0.09389261     -0.03095330
+N      2.42376694     -0.04142694      0.15702443
+C      3.15441241      1.16459849     -0.24411409
+C      4.62959105      1.02567545      0.03603062
+C      5.10494843      0.81212029      1.44200202
+N      5.39239693      1.11660358     -0.99981178
+O      6.76614329      1.00870478     -0.63993554
+H      0.48741968     -0.85560170      0.21945523
+H      0.67935261      0.38295399     -1.05976984
+H      0.59314265      0.86141833      0.65705340
+H      2.76512606     -0.82576579     -0.40473649
+H      2.76095807      2.00175596      0.36195205
+H      3.01900245      1.44016707     -1.30931282
+H      4.26285427      0.54427515      2.08971955
+H      5.58638830      1.72647825      1.82314741
+H      5.86515297      0.02020563      1.47979747
+H      7.19574974      1.08330486     -1.50988833 
+
+17
+-1598.9063520715633 11.696719 12.68061 -8.8962 -6.7201 -10.359 1.5681 -0.2254 0.478 10.12894 0.12232 5.5131738746 12.2580866662 0.277632267
+C      1.85421756     -0.72316734      0.36407269
+N      3.22039068     -0.20985588      0.28181420
+C      3.26618920      1.21390287     -0.04531689
+C      4.71814358      1.69538491     -0.17681970
+C      4.81507935      3.17242673     -0.38141228
+N      5.32833872      3.63668616     -1.46095294
+O      5.32337382      5.05683074     -1.45695885
+H      1.87883493     -1.80701705      0.54239689
+H      1.24001727     -0.53119822     -0.54115095
+H      1.34029483     -0.25727609      1.21923141
+H      3.72983715     -0.73059252     -0.43732723
+H      2.76819290      1.76249285      0.77369435
+H      2.71146210      1.46647913     -0.97595293
+H      5.21418254      1.18975630     -1.01985960
+H      5.25548174      1.41420244      0.74490243
+H      4.43715267      3.85383744      0.39561302
+H      5.73808096      5.25851754     -2.31492365 
+
+17
+-1652.384301623037 11.117835 12.30126 -8.7909 -6.6076 -10.252 0.7005 -0.2831 0.508 9.72024 0.12825 4.3319344554 6.8168618674 0.12114462
+C      1.69999623     -0.95737085      0.18678233
+N      3.12862411     -0.68275150      0.33382110
+C      3.48572941      0.66204261     -0.11797782
+C      4.98005520      0.91390678      0.06198294
+C      5.36150549      2.37082474     -0.19343028
+N      6.65637366      2.56384143     -0.61561380
+O      4.58305875      3.30801665     -0.03559435
+H      1.49391996     -1.99870084      0.47078289
+H      1.30712009     -0.78982345     -0.83849629
+H      1.13256815     -0.30651977      0.86958247
+H      3.65413515     -1.37074364     -0.21267402
+H      2.93268410      1.39393916      0.49041296
+H      3.19877850      0.85771226     -1.17460765
+H      5.57151202      0.24606191     -0.58696153
+H      5.25499910      0.67150018      1.10282692
+H      7.33295157      1.80885073     -0.60695455
+H      6.99973850      3.51920360     -0.64834132 
+
+20
+-1874.6818802381108 12.208086 13.7582 -8.6267 -6.4175 -10.02 0.9896 0.0802 3.228 9.30359 -2.96728 8.216242255 12.1398164208 0.124468109
+C      2.60676529     -1.79223500      0.07014605
+N      3.76432270     -0.92440129     -0.13585427
+C      3.41509117      0.49739402     -0.07747129
+C      4.63319892      1.37217349     -0.36920129
+C      4.36384183      2.86265318     -0.23776916
+O      3.43179742      3.27140855     -1.23853855
+C      3.14667347      4.65826608     -1.15639728
+H      2.90460914     -2.84255065     -0.05638546
+H      1.75441424     -1.58509125     -0.61209721
+H      2.24036640     -1.67306577      1.10211350
+H      4.16790995     -1.12380072     -1.05546314
+H      3.05202080      0.70982331      0.94470650
+H      2.58872844      0.76651687     -0.76857680
+H      5.00338043      1.17179429     -1.38962503
+H      5.44384985      1.10006356      0.32548818
+H      5.30850816      3.43249427     -0.35204678
+H      3.95898060      3.09608962      0.76990231
+H      2.44063307      4.89433032     -1.96268426
+H      4.06040139      5.26998480     -1.28679937
+H      2.68656673      4.92369231     -0.18491664 
+
+20
+-1877.0570059506533 12.154167 13.4819 -8.5373 -6.4316 -9.961 0.9635 0.0722 3.174 9.20189 -2.8957 8.0560151472 10.8082067808 0.130052068
+C      0.98501710     -0.42943386      0.01995872
+N      2.38883322     -0.16019986      0.32576827
+C      2.71826239      1.26790246      0.40099757
+C      2.18303941      1.89928176      1.68848666
+C      4.23372311      1.41929765      0.33734517
+O      4.70156135      0.88226651     -0.89972357
+C      6.11714235      0.92240147     -0.99610751
+H      0.85930242     -1.50226928     -0.18043392
+H      0.59991186      0.13513821     -0.85647359
+H      0.34724410     -0.18424274      0.88226509
+H      2.97027392     -0.55962779     -0.41534120
+H      2.29387503      1.82449783     -0.46707054
+H      2.59432087      1.38278311      2.56850508
+H      1.08809057      1.83371078      1.73764912
+H      2.45129957      2.96449332      1.74142222
+H      4.69689898      0.87470093      1.18548570
+H      4.51004687      2.48928594      0.41770761
+H      6.38949729      0.48394976     -1.96450249
+H      6.59588748      0.33961193     -0.18658042
+H      6.49654211      1.96107187     -0.95137797 
+
+18
+-1736.5649056857226 12.208267 13.29187 -8.621 -6.4808 -9.073 0.9565 0.0698 1.257 8.60798 -0.69239 6.1146671564 11.176903949 0.319037506
+C      1.34256701     -0.73750120      0.19326796
+N      2.72631818     -0.28094186      0.29778943
+C      2.91424560      1.07561251     -0.23258022
+C      4.34929239      1.50174541     -0.14371752
+C      5.05916046      1.83028516     -1.23719822
+O      6.35829804      2.23898466     -1.31526742
+C      7.06687264      2.32114370     -0.07639586
+H      1.27306263     -1.78219398      0.52606709
+H      0.91449800     -0.66777264     -0.83005341
+H      0.70624619     -0.13348209      0.85911476
+H      3.33904269     -0.91543406     -0.22128001
+H      2.28275415      1.74753131      0.37821065
+H      2.55459707      1.18390134     -1.28155875
+H      4.79392252      1.51451718      0.85306727
+H      4.61820564      1.80630448     -2.23770337
+H      8.07541348      2.66863336     -0.32610941
+H      7.12219243      1.33454322      0.41280669
+H      6.58324086      3.03800350      0.60765034 
+
+18
+-1738.068302375588 12.049464 13.08902 -8.6511 -6.4909 -9.201 0.9359 0.0349 1.303 8.62231 -0.72965 6.264330657 6.264330657 0.358960807
+C      1.51277303      0.31838788      1.83973291
+N      2.95522577      0.09606566      1.81648552
+C      3.52110774      0.30244628      0.48035128
+C      4.97045854     -0.09778439      0.42031489
+C      5.97549851      0.72761747      0.08080028
+O      5.09859113     -1.42714710      0.74336831
+C      6.42428287     -1.95845045      0.76156446
+H      1.11941610      0.07334580      2.83590765
+H      0.94911632     -0.27195921      1.08494278
+H      1.30058022      1.38303141      1.65246257
+H      3.15789356     -0.86542565      2.09989719
+H      3.43852411      1.36857733      0.21996558
+H      2.97057633     -0.26838786     -0.30361268
+H      5.75124622      1.76890521     -0.13895488
+H      7.01381316      0.41112687      0.01366389
+H      6.32716267     -3.00786774      1.06166121
+H      7.05412472     -1.41843820      1.48709021
+H      6.88613902     -1.89993332     -0.23768117 
+
+20
+-1876.5575660541115 12.049802 13.35931 -8.568 -6.3968 -9.934 0.9624 0.0455 3.136 9.20441 -2.8205 8.101679191 11.780095839 0.106557687
+C      3.53835348     -2.49838163     -1.19767839
+N      4.12255094     -1.23948929     -1.64948518
+C      4.13171237     -0.22242499     -0.60164055
+C      4.67779026      1.11257327     -1.10951522
+C      6.12020817      1.01994582     -1.60796332
+O      3.76320770      1.54529990     -2.13665278
+C      3.90991184      2.90873427     -2.50362184
+H      3.48050060     -3.20169637     -2.04006244
+H      2.52273628     -2.39711927     -0.75730171
+H      4.18709930     -2.95126636     -0.43094481
+H      3.57977003     -0.87238139     -2.43550640
+H      4.77668773     -0.57419031      0.22218199
+H      3.12257969     -0.04114261     -0.16910757
+H      4.62417629      1.83814655     -0.27080245
+H      6.19728765      0.27933649     -2.41433353
+H      6.77818713      0.70227842     -0.78579745
+H      6.48766933      1.99060581     -1.96763165
+H      3.07271647      3.15046007     -3.17123609
+H      4.85527286      3.10529311     -3.04030456
+H      3.86352189      3.57103852     -1.61769606 
+
+16
+-1581.7719506104186 10.158834 11.03502 -9.3946 -7.3479 -10.483 0.6728 -0.358 0.207 10.22975 0.4001 4.3073480316 11.9831725084 0.200719311
+C      0.19687363     -1.70658660      0.65008667
+N      1.31007437     -1.21081928     -0.16542948
+C      2.00351586     -2.31204670     -0.84730710
+C      2.25070495     -0.37165078      0.58769810
+C      2.83639277      0.73644529     -0.30402312
+O      2.11153428      0.93146267     -1.42893178
+O      3.81600508      1.38779093     -0.01085499
+H      0.52978278     -2.39327085      1.45398169
+H     -0.51122456     -2.24817244      0.00778344
+H     -0.33330153     -0.86062007      1.10725806
+H      1.29630718     -2.84660830     -1.49593289
+H      2.44207898     -3.03526099     -0.13106507
+H      2.81091036     -1.91280757     -1.47599737
+H      3.08157082     -0.93402444      1.04957266
+H      1.71367740      0.13972763      1.40079825
+H      1.40536764      0.22075152     -1.36297708 
+
+14
+-1453.330560900897 11.165273 11.32734 -8.3488 -6.4705 -9.112 0.8389 -0.7654 -0.407 8.45403 1.03039 4.2320265366 4.5739923232 0.376523056
+C      1.66066252     -0.67458355     -1.65147192
+N      2.98144689     -0.19712086     -1.27584615
+C      3.18562955      0.91035831     -0.52032669
+C      4.36949883      1.54328748     -0.28424942
+C      4.37799877      2.70360726      0.60795960
+O      5.61472046      3.29921392      0.79987217
+O      3.40867293      3.17848720      1.17721298
+H      1.66326533     -1.77024600     -1.72579092
+H      1.31663342     -0.25503885     -2.61206085
+H      0.94207727     -0.38981130     -0.87272405
+H      3.76988387     -0.55955085     -1.80588910
+H      2.29445732      1.31552587     -0.03052946
+H      5.29518754      1.19463549     -0.75014888
+H      6.28524530      2.80883586      0.28860267 
+
+16
+-1586.656235173058 10.01378 10.97257 -9.6432 -7.529 -10.833 0.6406 -0.3891 0.223 10.17533 0.39971 4.320478149 12.4268936052 0.105644018
+C      3.75390604     -0.66145012      0.61903814
+N      4.34271219      0.61729526      0.19607257
+C      3.39478085      1.70572076     -0.13445888
+C      2.27742489      1.85196158      0.90447849
+C      4.18490631      3.03284594     -0.17361056
+O      5.35091380      2.97759002      0.51078495
+O      3.78271744      4.03443312     -0.72709681
+H      4.56002692     -1.40069403      0.71089302
+H      2.99819042     -1.05652620     -0.08536770
+H      3.28698570     -0.55638239      1.60613975
+H      4.91195549      0.43987716     -0.63664778
+H      2.93450817      1.57833304     -1.13153230
+H      2.69157879      1.95248838      1.91845274
+H      1.59313957      0.99398432      0.88487721
+H      1.69866482      2.75535633      0.67592528
+H      5.39483859      2.02186684      0.81072189 
+
+16
+-1589.520592865653 10.169203 11.10196 -9.5788 -7.4735 -10.732 0.5817 -0.502 0.36 10.05161 0.2584 4.3244333024 12.6631489282 0.209167597
+C      1.73792282     -0.97082746      0.16161337
+N      3.10070398     -0.73685219     -0.33142719
+C      3.55825353      0.65707261     -0.16722700
+C      5.05590565      0.77101961     -0.46767872
+C      5.97131675     -0.08283370      0.42300778
+O      5.45589835     -1.26729429      0.81980941
+O      7.09282691      0.27126737      0.73060080
+H      1.44736275     -2.00849298     -0.04673944
+H      0.98903375     -0.29485906     -0.29093654
+H      1.71853121     -0.82492774      1.25073980
+H      3.14969682     -0.98632016     -1.32406626
+H      3.36928255      0.93772683      0.88163212
+H      2.98499661      1.36324601     -0.79779007
+H      5.38847134      1.81213524     -0.37110012
+H      5.25340533      0.47734046     -1.51358011
+H      4.51136165     -1.32766054      0.44733216 
+
+17
+-1597.8212921759202 11.46017 12.06198 -8.4745 -6.5374 -9.648 0.8543 -0.3068 0.891 8.98529 -0.22218 4.4975425556 5.988709779 0.177167377
+C      1.09207742     -0.00887821     -0.54200132
+N      2.52082947      0.25812208     -0.58219195
+C      2.95676816      1.35067159     -0.06203688
+C      2.12486622      2.45224304      0.54595980
+N      4.35599362      1.51538734      0.03726004
+C      5.19029220      0.62203809     -0.76094334
+O      4.73194982      2.89042209     -0.22546762
+H      0.88711512     -0.93600563     -1.09415399
+H      0.48838832      0.79568178     -0.99943280
+H      0.72147917     -0.15197390      0.49007111
+H      1.28740818      2.02129298      1.11103499
+H      1.69913859      3.08868936     -0.24435143
+H      2.71545440      3.09377305      1.20670282
+H      4.92347123     -0.40846915     -0.50546886
+H      6.23941142      0.81334491     -0.50451197
+H      5.03424533      0.76733504     -1.84262416
+H      5.27203132      3.11799554      0.55436557 
+
+15
+-1516.8162499950815 10.99863 11.61201 -9.2623 -7.264 -10.047 0.865 -0.8855 -0.186 10.11069 0.65048 4.156506664 5.5278042226 0.247102706
+C      1.31971935     -0.28621111      0.40897741
+N      2.55825380      0.45121744      0.22265878
+C      2.48868305      1.68317544     -0.11875727
+C      1.22708282      2.48078536     -0.35311685
+N      3.68125790      2.41284210     -0.30229201
+C      4.97052613      1.93041271     -0.14557787
+O      5.95907489      2.62921090     -0.31923395
+H      1.55473727     -1.29118480      0.78214855
+H      0.76182871     -0.40584203     -0.53748642
+H      0.63792238      0.19199691      1.13522779
+H      0.58612983      1.96902234     -1.08486774
+H      1.42705973      3.49490713     -0.71956058
+H      0.65111312      2.55993762      0.58079416
+H      3.61669252      3.39277765     -0.57181827
+H      4.98957850      0.86380234      0.14757427 
+
+15
+-1510.1447034741343 11.503283 11.65472 -8.818 -7.0026 -9.702 0.5829 -1.0585 -0.319 8.83613 0.92385 3.9309885286 4.9752606136 0.334505094
+C      1.21774652      0.05238670     -0.63325949
+N      2.50106916      0.03998608      0.05807932
+C      3.05893078     -1.25768633      0.40377712
+C      3.14095300      1.18256523      0.36972957
+N      2.65017638      2.36917086      0.12066026
+C      3.50453862      3.43194278      0.42113684
+O      4.71500602      3.38299780      0.62777929
+H      0.91454740      1.09522338     -0.77185641
+H      0.46333964     -0.48156584     -0.03553978
+H      1.30759913     -0.44370601     -1.61208061
+H      2.37770818     -1.80463837      1.07477778
+H      4.02186121     -1.12214997      0.90956850
+H      3.21669815     -1.86420615     -0.50205607
+H      4.11347347      1.04629517      0.86733669
+H      2.95845235      4.40034466      0.43573701 
+
+17
+-1632.8897720641294 11.062621 11.78204 -8.7279 -6.8139 -9.518 0.6306 -0.3316 0.871 8.64157 -0.2194 4.890255812 5.8096987922 0.155481843
+C      0.81844021     -0.25478489     -0.20550513
+N      2.21758810     -0.10306348      0.18040338
+C      3.00498134     -1.32469894      0.26250845
+C      2.87935748      1.09668624      0.02772605
+N      4.15607078      1.30014559      0.06995543
+C      2.04422612      2.36184524     -0.18077236
+O      2.87483202      3.49375944     -0.23927948
+H      0.25372494      0.65560760      0.02258166
+H      0.37145510     -1.07362358      0.37479353
+H      0.69691559     -0.48362788     -1.28047443
+H      2.34378887     -2.15634781      0.53478128
+H      3.77084548     -1.23553200      1.04654375
+H      3.50381908     -1.57311999     -0.69229002
+H      4.71938993      0.45417964      0.18068904
+H      1.31567524      2.45989699      0.64795804
+H      1.46177858      2.26157623     -1.11808485
+H      3.78413116      3.10332162     -0.14275433 
+
+15
+-1495.231037305687 10.797432 11.15213 -8.8159 -6.93 -9.694 -0.0145 -1.9049 -1.183 8.75185 1.57501 3.2104190924 6.910607682 0.185002681
+C      1.03906689     -0.06514561     -0.35254360
+N      2.42726256      0.04487579      0.07134685
+C      3.08224292     -1.22378772      0.40299259
+C      3.11565641      1.18141774     -0.28808937
+N      2.67071300      2.20648101     -0.95744743
+C      4.53626419      1.43153203      0.18644308
+O      5.20766495      0.75152322      0.94172748
+H      0.47882075      0.83965361     -0.07575879
+H      0.58272666     -0.91872494      0.16314969
+H      0.93932590     -0.22439327     -1.44227373
+H      2.50677083     -1.73285676      1.18955357
+H      4.09194965     -1.03567409      0.77370271
+H      3.12889260     -1.88644705     -0.47947920
+H      1.70553416      2.07159389     -1.28296708
+H      4.90588854      2.39040215     -0.24501677 
+
+13
+-1378.1960735892399 9.802497 10.59398 -9.905 -7.9663 -10.642 0.993 -0.5058 -0.008 10.17378 0.62387 4.309939339 12.0600314298 0.220265245
+C      1.23039692      0.03670470     -0.16120894
+N      2.61236076      0.40750682      0.10329644
+C      3.61700981     -0.64048022      0.21746325
+C      3.33619231     -1.56847574      1.31846225
+N      3.09118489     -2.31736241      2.17793310
+C      3.01708354      1.71477468      0.23689523
+O      4.16716789      2.07825686      0.44732892
+H      0.62294131      0.94886653     -0.20850089
+H      0.83626472     -0.60775261      0.63864928
+H      1.14244575     -0.49411604     -1.12228825
+H      4.58005277     -0.13401574      0.39174692
+H      3.68953234     -1.21968421     -0.71917977
+H      2.16411698      2.41982736      0.12296247 
+
+17
+-1645.2094975381638 10.964175 11.70686 -9.0671 -7.0511 -10.064 0.731 -0.2652 0.453 9.74819 0.15796 4.3501232016 5.8499942422 0.195907529
+C     -0.35043920     -1.23720628      0.53483005
+N      0.88476186     -1.46595290      1.27099947
+C      2.15057866     -1.46545140      0.54408459
+C      2.36519743     -2.71419180     -0.31635062
+N      2.46160692     -3.90322990      0.53564927
+C      0.84793112     -1.60736179      2.63619379
+O     -0.16681278     -1.60967605      3.32724706
+H     -1.17153724     -1.22409519      1.26096764
+H     -0.53377506     -2.03257684     -0.20362896
+H     -0.30972387     -0.27131641      0.00619750
+H      2.96071095     -1.40828062      1.28654828
+H      2.20028421     -0.56299107     -0.08974363
+H      3.32263277     -2.58907214     -0.84641588
+H      1.57718964     -2.76588156     -1.09581343
+H      1.56335711     -4.07585664      0.99507535
+H      2.65936512     -4.73027795     -0.03078329
+H      1.87004236     -1.72833145      3.06114283 
+
+19
+-1760.8168694951507 11.278777 12.2064 -8.5898 -6.4617 -9.943 0.843 -0.1433 2.977 9.28514 -2.67672 7.858356666 12.0765711622 0.082675773
+C      2.65990888     -0.73562503     -1.02070389
+N      2.75054171     -0.04152370      0.26643572
+C      3.20045971      1.36053428      0.15047766
+C      2.54035252      2.20776910      1.25100106
+N      2.93548326      1.71203768      2.58984574
+C      4.73641994      1.48752046      0.18285792
+O      5.29782504      0.88194460      1.34862315
+H      2.41970259     -1.79364562     -0.84474830
+H      3.58232027     -0.69499209     -1.63593536
+H      1.83860072     -0.30531817     -1.61430569
+H      3.45086265     -0.52226044      0.84205320
+H      2.84323905      1.75648763     -0.81658429
+H      1.44567303      2.19822986      1.09705322
+H      2.88683481      3.24967813      1.16050785
+H      2.45312133      0.82298023      2.75596653
+H      2.61219696      2.35601608      3.31456772
+H      5.02000311      2.55722434      0.10807458
+H      5.17699709      0.97204899     -0.68611117
+H      4.73271732      1.20733367      2.09532436 
+
+19
+-1760.750855968629 11.390473 12.43332 -9.0203 -6.8666 -10.21 0.7806 -0.1944 2.905 9.5247 -2.61376 8.0654256846 12.4650316988 0.091544083
+C      2.88461040      0.02771864      1.75384198
+N      3.10234704      0.43336585      0.36451962
+C      3.60051115      1.80650215      0.22557751
+C      5.12318906      1.88238353      0.42003397
+N      5.90221023      1.07807478     -0.53818253
+C      5.64873622      3.31925480      0.34168594
+O      7.06309323      3.34846990      0.48456925
+H      2.41729392     -0.96616829      1.77528727
+H      2.24563791      0.73003899      2.32952338
+H      3.84620680     -0.05398079      2.28179666
+H      2.22474979      0.34306454     -0.14833209
+H      3.10532215      2.50757245      0.93508704
+H      3.36144650      2.15520656     -0.79356564
+H      5.37712629      1.49906766      1.42394991
+H      5.61988027      1.33230352     -1.49240273
+H      5.63732597      0.09522053     -0.42992460
+H      5.21415843      3.93589689      1.14392055
+H      5.33960377      3.76777226     -0.62840988
+H      7.35555086      2.51502606      0.05209438 
+
+17
+-1643.7187959171163 11.096303 11.99955 -8.9396 -6.7608 -10.28 0.7429 -0.2538 0.356 9.95222 0.20342 4.3464284188 9.2401062444 0.208537831
+C      1.02087302     -0.22427182      0.14242824
+N      2.46885185     -0.04938475      0.02280102
+C      2.85562466      1.35805196     -0.07998807
+C      4.37629373      1.52106697     -0.08416636
+N      5.03071543      0.83696266     -1.19949776
+C      5.30752887      1.45131482     -2.38853546
+O      5.00510613      2.60465138     -2.67521259
+H      0.77826030     -1.29585237      0.13210590
+H      0.43505310      0.27407061     -0.65801666
+H      0.68208037      0.18396793      1.10701118
+H      2.78176943     -0.52638629     -0.82738909
+H      2.46316727      1.88526987      0.80589857
+H      2.43065112      1.86527395     -0.97174192
+H      4.79275628      1.11852567      0.85002006
+H      4.62982975      2.58764979     -0.16119908
+H      5.37755412     -0.10809254     -1.06262321
+H      5.85274458      0.77415215     -3.08733477 
+
+17
+-1603.1537718036636 11.628107 12.28969 -7.7608 -5.8706 -9.387 0.846 -0.0799 0.916 8.71112 -0.24906 5.64508258 9.6012526652 0.170685929
+C      2.62697314     -1.18148402     -0.32983348
+N      1.91901766      0.04072803      0.02654039
+C      2.57769360      1.25923878     -0.05022516
+C      1.75620410      2.49642872      0.17213557
+N      3.86071249      1.24491978     -0.25577096
+O      4.37952724      2.57704435     -0.18039435
+C      5.78264967      2.50201410     -0.41490535
+H      1.94076110     -2.02973008     -0.22012612
+H      3.47782815     -1.31952494      0.35035419
+H      3.02705660     -1.15819454     -1.35828090
+H      0.94785254      0.08245418     -0.27091233
+H      0.69231155      2.25634659      0.29207361
+H      1.88497555      3.19415077     -0.66641672
+H      2.10251376      3.02030230      1.07411249
+H      6.14665745      3.53598098     -0.35524468
+H      5.99970955      2.08699304     -1.41300023
+H      6.28242583      1.88491196      0.34963405 
+
+17
+-1589.4002768546973 11.965889 12.77339 -8.9672 -6.7943 -10.346 1.3815 -0.3165 0.542 9.95054 0.08065 5.4456882948 12.1196686958 0.201753489
+C      0.90912484     -0.20946745     -0.25658450
+N      2.31586319     -0.07715577      0.11809536
+C      2.85094828      1.25635004     -0.16888960
+C      4.26576640      1.36539340      0.30740421
+N      5.18863510      1.65521896     -0.53649880
+O      6.45039434      1.72541371      0.08802520
+C      7.43386505      2.03525755     -0.90615369
+H      0.58205507     -1.24448700     -0.08768902
+H      0.69061323      0.05874205     -1.31158572
+H      0.29737569      0.44161655      0.38698272
+H      2.87181543     -0.76694965     -0.39342178
+H      2.23396136      1.98334770      0.39085327
+H      2.80481974      1.54635822     -1.23882087
+H      4.48986742      1.17731904      1.36624093
+H      8.38406288      2.10168266     -0.36233040
+H      7.21222466      2.99684622     -1.39308210
+H      7.49237733      1.24107377     -1.66612519 
+
+16
+-1627.815190172683 11.697969 12.1714 -8.8162 -6.963 -9.905 0.4498 -1.1999 -0.244 9.23652 0.80608 4.0515029206 5.853193081 0.353454041
+C      0.93468807     -0.52451528     -0.87232032
+N      2.05430633     -0.53699893      0.06059430
+C      2.52773070     -1.85559509      0.46152205
+C      2.73959616      0.57707614      0.51519537
+O      3.66979141      0.48133934      1.32509524
+C      2.31696272      1.90932676     -0.02489746
+C      2.86130184      3.03223940      0.46132508
+H      0.34648135      0.39389657     -0.78350152
+H      0.26596645     -1.36292492     -0.62971435
+H      1.26274618     -0.64456782     -1.91999649
+H      1.73541045     -2.40401621      0.99592713
+H      3.39026564     -1.72181207      1.12175797
+H      2.82487114     -2.44370734     -0.42235108
+H      1.58976380      1.96786312     -0.83534628
+H      3.60146962      2.97292473      1.26160870
+H      2.58539814      4.01248160      0.07244167 
+
+14
+-1469.3199280324932 11.201793 11.78432 -9.1166 -7.2498 -10.129 0.6517 -1.0688 -0.205 9.41753 0.78329 3.7316934322 10.8791143742 0.354148719
+C      0.95860802     -0.07195005     -0.20210316
+N      2.39529752      0.03280299     -0.00941572
+C      3.15013702     -1.21051802      0.01614950
+C      3.06931895      1.22279525      0.14589005
+O      4.29087406      1.30732067      0.30790262
+C      2.25547660      2.43217772      0.11151794
+C      1.70873103      3.51726500      0.10483996
+H      0.51137953      0.92759974     -0.20245926
+H      0.50376418     -0.66569584      0.60741103
+H      0.73360616     -0.56340638     -1.16261440
+H      2.79509725     -1.85690513      0.83449302
+H      4.20697387     -0.96954501      0.17022213
+H      3.02945297     -1.75170359     -0.93579895
+H      1.22727284      4.47433265      0.09897525 
+
+14
+-1448.6649214260126 11.038685 11.92198 -9.1903 -7.0922 -10.023 0.7181 -1.2135 -0.154 9.93472 0.78788 3.6459819104 10.900663141 0.522126079
+C      0.97640676     -0.07831910      0.10978828
+N      2.36905211      0.13510011      0.50591725
+C      2.91323292      1.42157311      0.04854443
+C      2.53462044      2.45684301      1.13712076
+O      1.79773265      3.40051438      0.94899362
+C      4.36365018      1.38470280     -0.07213473
+C      5.57626191      1.37872606     -0.12790433
+H      0.65318021     -1.06505386      0.46588774
+H      0.80858691     -0.02132454     -0.98407988
+H      0.33266154      0.67322871      0.58886598
+H      2.96762220     -0.62425337      0.18023814
+H      2.46971403      1.76636458     -0.90863816
+H      2.96825641      2.21218426      2.13722280
+H      6.64520172      1.36962387     -0.19699189 
+
+18
+-1741.5283063160068 11.818764 12.67681 -9.2265 -7.1366 -9.692 1.3156 -0.1731 1.224 9.13639 -0.65687 6.7163960116 6.7163960116 0.451226186
+C      1.10014556      0.09210949      0.92109167
+N      2.52925082      0.31245038      1.16221167
+C      3.06992056      1.52603847      0.50803918
+C      2.69109097      2.73560849      1.39805384
+O      3.00657600      2.47282294      2.75844428
+C      4.56310582      1.39859225      0.37475748
+C      5.21012387      1.34359564     -0.79448388
+H      0.80563609     -0.87160792      1.35746876
+H      0.82753787      0.09168287     -0.15322690
+H      0.50761710      0.87272335      1.41955812
+H      3.06095980     -0.49661491      0.83710392
+H      2.62985913      1.67653843     -0.50101047
+H      1.61208632      2.95780789      1.27435869
+H      3.25307942      3.62576307      1.07788979
+H      2.84754033      1.50398419      2.84341133
+H      5.12148080      1.36236796      1.31622289
+H      4.67335271      1.38468034     -1.74634356
+H      6.29734682      1.26561707     -0.84200681 
+
+16
+-1583.37651233614 11.337556 12.35573 -9.3715 -7.2515 -9.798 0.8381 -0.152 2.252 9.47577 -1.82389 4.3844797222 10.8434807978 0.376334745
+C      1.05172729      0.21645836      1.03398418
+N      2.41694162      0.71832031      1.21021474
+C      2.92859015      1.46958132      0.03920872
+C      2.45498661      2.94235511      0.17611353
+O      2.71634377      3.43524680      1.47524491
+C      4.38415754      1.36487083     -0.02440539
+C      5.59144580      1.26177748     -0.08875030
+H      0.77540471     -0.38372633      1.91072227
+H      0.92085159     -0.40371291      0.12504883
+H      0.34565186      1.05710254      0.97616388
+H      3.05434367     -0.05309242      1.41086664
+H      2.51579400      1.06483548     -0.91056824
+H      1.37256612      2.97998525     -0.06165064
+H      2.98375709      3.57296863     -0.55286628
+H      2.60117401      2.64457758      2.05115258
+H      6.65803418      1.18201196     -0.14253944 
+
+16
+-1613.7786722919495 11.621036 12.35409 -9.0753 -6.9423 -10.297 -0.0894 -1.8179 -0.551 9.40411 1.16445 3.4798158732 5.6507611388 0.379773739
+C      0.93606587      0.13962939     -0.01488982
+N      2.34525949      0.00155189     -0.38248936
+C      3.14539718      1.17008145     -0.03012350
+C      4.64334257      0.93866092     -0.23784355
+O      5.34889397      1.80749522     -0.74178156
+C      5.18112527     -0.36983598      0.23831406
+C      6.47583954     -0.68599211      0.08683420
+H      0.37942019     -0.73995965     -0.36597236
+H      0.44650678      1.04826992     -0.42123659
+H      0.84871775      0.17390662      1.08196414
+H      2.41795465     -0.15974542     -1.39003693
+H      3.00786079      1.35883844      1.05191708
+H      2.86907374      2.10489173     -0.55664257
+H      4.46888851     -1.05392720      0.70423483
+H      7.15408606      0.01406602     -0.40667046
+H      6.88140763     -1.63274124      0.44515239 
+
+14
+-1454.2076438342997 11.048092 11.87878 -8.9169 -6.7911 -10.063 -0.2005 -2.0241 -0.658 9.7231 1.26394 3.5362543004 11.9109506634 0.331292552
+C      2.60657664     -1.04289694     -0.94204796
+N      2.48527725     -0.02375276      0.10728257
+C      3.11533955      1.23166238     -0.23607237
+C      4.65069958      1.25088485     -0.14861975
+O      5.29041429      0.34774951      0.37856799
+C      5.29181847      2.43663763     -0.68601466
+C      5.76375560      3.45138147     -1.16274876
+H      2.13734767     -1.97188028     -0.59121618
+H      3.64611919     -1.27257155     -1.24270507
+H      2.05251532     -0.70892096     -1.83265766
+H      2.91694545     -0.37913608      0.96490483
+H      2.76704887      2.03648306      0.43952429
+H      2.81094252      1.54685249     -1.24791743
+H      6.21136960      4.33477718     -1.57319985 
+
+18
+-1743.713988548747 11.809554 12.64053 -9.1449 -7.0141 -9.531 0.9841 -0.1309 1.318 9.01236 -0.75371 6.6587053258 6.6587053258 0.447244047
+C      1.23097125      0.01322564      0.69201561
+N      2.66805637      0.05856497      0.42669979
+C      3.11353676      1.30129011     -0.20499670
+C      4.65690520      1.32433248     -0.20292869
+O      5.12537127      1.07616886      1.11756262
+C      5.21259978      0.35919314     -1.22781040
+C      6.01609608     -0.67275840     -0.95075858
+H      0.97001228     -0.95865900      1.13272582
+H      0.60232313      0.16893856     -0.20790813
+H      0.97041407      0.79348042      1.42286326
+H      2.93803058     -0.73100288     -0.16705636
+H      2.75147376      2.13889025      0.41251850
+H      2.72289660      1.44940787     -1.23358323
+H      4.98207349      2.34425163     -0.48034372
+H      4.44708558      0.46727941      1.49031128
+H      4.91151040      0.55877735     -2.26357152
+H      6.33980912     -0.86119267      0.07450576
+H      6.38188429     -1.33464772     -1.73651533 
+
+16
+-1585.239179952912 11.329543 12.37451 -9.2836 -7.1254 -9.897 0.8771 -0.0727 2.184 9.50818 -1.76548 4.3722794998 10.5787830864 0.65667114
+C      1.26664616      0.10428586      0.97635505
+N      2.68074571      0.09939073      0.60179694
+C      3.08826679      1.27182029     -0.17219257
+C      4.62937024      1.29957281     -0.23459732
+O      5.16051954      1.23539093      1.08917139
+C      5.13557187      0.20867079     -1.08626450
+C      5.52559388     -0.70919487     -1.77958376
+H      1.02935019     -0.82126587      1.51809133
+H      0.57342962      0.19274740      0.11599645
+H      1.07186864      0.94856089      1.65440897
+H      2.89063248     -0.74199238      0.05650676
+H      2.76133721      2.17025322      0.37459802
+H      2.65989388      1.31397687     -1.19368913
+H      4.95503897      2.26078302     -0.66595071
+H      4.55417066      0.60612478      1.54344443
+H      5.89607417     -1.50868446     -2.38850137 
+
+18
+-1737.9925670872844 12.092854 13.1202 -8.7921 -6.6029 -9.473 0.9759 0.0795 1.206 9.00856 -0.72424 6.4135974024 6.4135974024 0.370585125
+C      0.82674980     -0.34041637      0.01201538
+N      2.27265971     -0.15205240      0.09958232
+C      2.66513573      1.24631110     -0.04431343
+C      4.17222203      1.40068956     -0.02678199
+O      4.69461770      0.76050349     -1.20709467
+C      6.04868137      0.78493155     -1.36139329
+C      6.96833118      1.33672019     -0.55463971
+H      0.59333494     -1.41326412      0.04602809
+H      0.36696812      0.08813865     -0.90400759
+H      0.34082698      0.13284164      0.87978810
+H      2.73102656     -0.68947241     -0.64056112
+H      2.25725315      1.81491690      0.80919692
+H      2.26425190      1.72199550     -0.96754804
+H      4.60062211      0.91764860      0.86844114
+H      4.45571232      2.46763649     -0.03448038
+H      6.32248832      0.27033434     -2.28530414
+H      6.72771827      1.85392896      0.37183931
+H      8.01623981      1.26352834     -0.83772690 
+
+17
+-1644.8201110057614 10.958493 11.75811 -8.8073 -6.863 -10.031 0.8897 -0.2458 0.603 9.38133 0.09946 4.2965116552 12.7332630112 0.218360665
+C      1.00226113     -0.75571431     -0.80967830
+N      2.25740804     -0.52192161     -0.10673723
+C      2.88430231     -1.68562963      0.50549884
+C      2.81385688      0.71858327      0.09220083
+O      3.86170074      0.88578637      0.72844254
+C      2.08631865      1.93087903     -0.50825640
+N      2.14866408      1.92641458     -1.98241168
+H      0.80715028      0.05938502     -1.51405618
+H      0.15849241     -0.87263759     -0.10694042
+H      1.08773906     -1.68495621     -1.39258835
+H      2.20846480     -2.14527309      1.24550241
+H      3.80231112     -1.35853577      1.00451444
+H      3.12501722     -2.43849668     -0.26163572
+H      2.56142377      2.80482896     -0.03285354
+H      1.02555145      1.92002376     -0.20841216
+H      3.12952220      1.96366798     -2.27343851
+H      1.71683585      2.78155592     -2.34118057 
+
+13
+-1376.653511139172 10.04227 10.63852 -9.8279 -7.92 -10.675 0.2337 -1.6745 -0.981 10.12684 1.39172 3.9456808696 11.7961892218 0.390337415
+C      0.97594457     -0.02470628     -0.18839097
+N      2.41813857      0.04439804      0.00092106
+C      3.14981038     -1.21534959      0.00374654
+C      3.11593339      1.20776416      0.17006932
+O      4.33134488      1.30383798      0.32939409
+C      2.29705976      2.43591911      0.15395548
+N      1.75560888      3.47033525      0.15765220
+H      0.54386430      0.98164194     -0.17691652
+H      0.51466030     -0.61694199      0.61659944
+H      0.74166826     -0.49874713     -1.15395369
+H      2.77857870     -1.86640702      0.80977860
+H      4.21150092     -1.00159150      0.16252342
+H      3.01664709     -1.73291296     -0.95852896 
+
+15
+-1493.9447165746355 10.767705 11.24059 -8.7704 -6.836 -9.658 0.6176 -1.4112 -0.266 8.80211 0.88374 3.6188289764 5.8186381828 0.158851775
+C      0.92999700      0.42762200      0.22611250
+N      2.36795471      0.64894228      0.15180256
+C      3.20901801     -0.52519764      0.06678258
+C      3.46412532     -1.16785389      1.42766865
+O      3.60134166     -2.36179289      1.60163906
+C      2.89354156      1.93029341      0.14781230
+N      4.11096795      2.34200220      0.11379830
+H      0.41975558      1.39673267      0.28185657
+H      0.65155041     -0.15608579      1.11829816
+H      0.56431745     -0.10752097     -0.66595741
+H      4.18889671     -0.24454873     -0.35959488
+H      2.77097848     -1.27701018     -0.60849467
+H      3.50749194     -0.43712511      2.27687768
+H      2.09916215      2.69035501      0.17277852
+H      4.79599106      1.57402762      0.11573008 
+
+17
+-1627.6382477656468 11.118523 11.66388 -8.5127 -6.576 -9.277 0.7027 -0.2656 0.969 8.41474 -0.4109 4.9897297798 8.4232120848 0.182575339
+C      1.07534105     -0.02312189     -0.19802365
+N      2.50888202      0.19048248     -0.06899573
+C      3.35477708     -0.99674665      0.00213413
+C      3.87881099     -1.45384621     -1.36094807
+O      4.79262443     -0.52777201     -1.94504585
+C      3.00862283      1.45611779      0.19125863
+N      4.21778795      1.86171142      0.36326028
+H      0.56561801      0.94696839     -0.25118413
+H      0.67011020     -0.58410907      0.66286059
+H      0.83399394     -0.58077765     -1.11683649
+H      2.77074069     -1.81237364      0.46215338
+H      4.20650901     -0.78783807      0.66913073
+H      3.02895495     -1.65878822     -2.04055290
+H      4.43823785     -2.39369054     -1.23706472
+H      4.33152348      0.32643105     -2.03821291
+H      2.20511768      2.20634244      0.24001056
+H      4.90385784      1.09942038      0.27225612 
+
+13
+-1356.6387439556102 9.874808 10.73702 -9.7707 -7.6389 -10.766 0.2427 -1.7626 -0.607 10.44432 1.18713 3.6247679058 11.7187971606 0.313294549
+C      0.93436992     -0.01411552      0.10036282
+N      2.33856608      0.16705627      0.47640930
+C      2.90303004      1.43775239      0.01059512
+C      2.55188958      2.47123776      1.11716445
+O      1.74822130      3.36158551      0.95840711
+C      4.35366159      1.35414363     -0.13472304
+N      5.51567402      1.30333347     -0.22636444
+H      0.59244046     -0.98451433      0.48084639
+H      0.75887257      0.02511118     -0.99179291
+H      0.31865275      0.76372622      0.57272252
+H      2.91301734     -0.61485592      0.16138632
+H      2.47248390      1.79778826     -0.94587126
+H      3.04620046      2.25619106      2.09388763 
+
+15
+-1493.5090065256766 10.187118 11.23715 -9.6844 -7.574 -10.578 0.777 -0.389 1.406 9.88339 -0.99921 5.3674283316 12.4376431914 0.111873592
+C      2.64695629     -0.80362346     -1.04959149
+N      2.39920336      0.03835533      0.12736136
+C      2.96934622      1.38275720      0.02606335
+C      2.41051499      2.27924777      1.15502892
+O      2.56679451      1.70088190      2.44515943
+C      4.44971889      1.37776634      0.00945384
+N      5.61482867      1.30661520     -0.00932068
+H      2.22911937     -1.80152316     -0.86427750
+H      3.71733550     -0.91237437     -1.30586789
+H      2.12334716     -0.37763153     -1.91808287
+H      2.81093944     -0.41107418      0.95015505
+H      2.63944289      1.82402350     -0.93106749
+H      1.34906681      2.47028712      0.92696629
+H      2.94914576      3.23710658      1.16713895
+H      1.85620016      1.04463577      2.55506072 
+
+13
+-1359.3803096912895 10.188078 11.02996 -9.3831 -7.2466 -10.509 -0.7657 -2.7254 -1.408 10.47081 1.85161 3.3914882468 11.0263725464 0.208727011
+C      1.45733546     -0.33577370      0.14648078
+N      2.91502435     -0.30172033      0.10461318
+C      3.48685017      0.97139089      0.44675961
+C      4.89189635      1.12623175     -0.07555707
+O      5.42110194      0.36720792     -0.87009270
+C      5.60640130      2.31810455      0.41736620
+N      6.16941577      3.26425607      0.80721968
+H      1.11181561     -1.32454912     -0.18087594
+H      0.96874003      0.43364552     -0.48586656
+H      1.11065598     -0.19094511      1.18093143
+H      3.28578913     -0.61723598     -0.79409049
+H      3.50264316      1.13377582      1.54159659
+H      2.93409075      1.85411173      0.03720529 
+
+19
+-1763.071500458843 11.616856 12.89306 -8.5372 -6.3583 -9.989 0.7967 -0.2155 3.015 9.25173 -2.72645 8.0759644946 10.8638888934 0.120358348
+C      0.85584188      0.20006073     -0.12612468
+N      2.31309959      0.19748575     -0.05090267
+C      2.87250805      1.54281150      0.03129430
+C      4.39160835      1.50054594     -0.03214133
+O      4.77610514      0.96305416     -1.30054730
+C      5.02722629      2.88457006      0.14661683
+N      6.46432301      2.77938514     -0.16448984
+H      0.49180960     -0.82770016     -0.26306848
+H      0.44256162      0.82858180     -0.94450807
+H      0.43876743      0.57596048      0.82202172
+H      2.70108513     -0.25026401     -0.88529138
+H      2.56360256      1.99273926      0.99202587
+H      2.50729814      2.21423572     -0.78005391
+H      4.75098759      0.83097768      0.77870855
+H      5.69645893      1.28855988     -1.41984730
+H      4.80926496      3.27006538      1.16031460
+H      4.57717140      3.57526074     -0.58390653
+H      6.97903093      2.40483725      0.63629404
+H      6.86290941      3.69621272     -0.36984442 
+
+15
+-1495.6225752316682 10.193791 11.23622 -9.7655 -7.5884 -10.6 0.7908 -0.2795 1.3 9.86816 -0.90326 5.3867949448 12.207723553 0.294182627
+C      1.13780037     -0.04907986      0.37525741
+N      2.59482955     -0.01109865      0.22514115
+C      3.10668204      1.26628277     -0.26838763
+C      4.62096360      1.31956675      0.02709328
+O      4.86365781      0.99951939      1.38511468
+C      5.33914127      0.39377999     -0.88424318
+N      5.86398541     -0.35842828     -1.60543922
+H      0.83608583     -1.04678658      0.71993272
+H      0.58538964      0.18126417     -0.55607508
+H      0.83228094      0.67780767      1.14186343
+H      2.89326690     -0.76056821     -0.40607655
+H      2.63432058      2.07114294      0.31513924
+H      2.91217491      1.45845548     -1.34138609
+H      5.00377278      2.33559741     -0.16035909
+H      4.17760836      0.31548501      1.57783494 
+
+16
+-1582.1006903322157 10.261582 11.14941 -9.3521 -7.3417 -10.344 0.6492 -0.3078 0.338 9.68868 0.36178 4.3891787916 12.6628513618 0.182405143
+C      1.07731271     -0.31834069     -0.41021256
+N      2.43075097     -0.34368583      0.13164084
+C      3.03484949     -1.65763026      0.29531795
+C      3.09129298      0.83006968      0.35184193
+O      2.57900154      1.94307689      0.16044937
+C      4.54104761      0.78671349      0.86310324
+O      5.00881466      2.10280066      1.03029663
+H      0.75255475      0.72438606     -0.47986210
+H      0.39359258     -0.87589429      0.24826339
+H      1.05363489     -0.77721973     -1.41180802
+H      2.35765413     -2.30861420      0.86935661
+H      3.98139842     -1.59187525      0.83923162
+H      3.22290646     -2.13309628     -0.68230341
+H      5.17169375      0.23915628      0.13671845
+H      4.58515893      0.23738477      1.82272307
+H      4.23708615      2.65382872      0.75007298 
+
+14
+-1442.1059923987962 9.918395 10.50419 -9.4082 -7.4222 -10.553 -0.065 -2.0571 -1.359 10.52703 1.72222 3.170569992 7.6703690928 0.189433708
+C      0.99639718     -0.20767386     -0.47123653
+N      2.33794223      0.00166500      0.06273855
+C      3.09885638     -1.20302272      0.37689536
+C      2.91477700      1.21492233      0.28035677
+O      4.05458320      1.38718668      0.73502397
+C      2.19893478      2.51949214     -0.08518212
+O      1.52900942      2.72584348     -1.08021915
+H      0.49771885      0.74610681     -0.65362813
+H      0.40546810     -0.80599959      0.23984386
+H      1.05098808     -0.75613267     -1.42475616
+H      2.52716987     -1.83577743      1.07242923
+H      4.04867762     -0.90786040      0.83419139
+H      3.29773798     -1.77901320     -0.54050404
+H      2.50306932      3.33551342      0.61311700 
+
+14
+-1445.2176015929779 9.842916 10.44632 -9.3568 -7.3156 -10.29 0.8723 -1.1868 -0.299 9.55711 0.91409 3.6215442698 5.884623532 0.179431088
+C      1.03141330     -0.01771488     -0.13671846
+N      2.46126185      0.22232858     -0.00719351
+C      3.37513217     -0.89404989     -0.07400173
+C      3.45048482     -1.59426170     -1.41607334
+O      2.86371582     -1.25432176     -2.42393575
+C      2.97548028      1.48214966      0.16914880
+O      4.16758806      1.74751641      0.28776860
+H      0.50209283      0.93742620     -0.02708161
+H      0.67896394     -0.70230882      0.65147448
+H      0.79305049     -0.44249624     -1.12168265
+H      3.14423373     -1.65581173      0.69543720
+H      4.38315109     -0.50327636      0.15753146
+H      4.11992551     -2.49421548     -1.40574677
+H      2.17462611      2.25426601      0.20078328 
+
+16
+-1578.7690501421632 10.203539 10.9657 -9.5376 -7.3895 -10.349 0.7077 -0.327 0.138 9.9926 0.4994 4.3884720714 5.7923903466 0.162295832
+C      0.87962011      0.06205350      0.29169816
+N      2.28354964      0.10307459     -0.09746226
+C      3.02589806     -1.17173811     -0.16435347
+C      3.55641150     -1.55372810     -1.55499779
+O      4.80671610     -0.97253559     -1.87356487
+C      2.90657218      1.28600913     -0.33592039
+O      4.07786187      1.42069583     -0.70725172
+H      0.47926971      1.08300554      0.32244921
+H      0.75961452     -0.39092961      1.28824552
+H      0.28956866     -0.51955900     -0.43326724
+H      2.33472300     -1.94870363      0.19097339
+H      3.87683010     -1.12684115      0.53529489
+H      2.77880373     -1.31419770     -2.31033966
+H      3.70346120     -2.64592563     -1.57432156
+H      4.75834050     -0.03416452     -1.57043839
+H      2.24487912      2.16161444     -0.16070381 
+
+14
+-1427.4762183664425 9.855856 10.55846 -9.3387 -7.2021 -10.625 0.1246 -1.835 -0.897 10.55233 1.30596 3.5894194972 8.4133056034 0.208628101
+C      2.35245645     -0.84261526     -0.14258847
+N      3.30193894     -0.03674452      0.62194419
+C      3.41948122      1.32967226      0.19259681
+C      2.49947886      2.28442552      0.96962260
+O      2.29969803      3.43786653      0.64740231
+C      4.85414946      1.84948037      0.32014360
+O      5.79263854      1.12401474      0.58143972
+H      2.39166398     -1.87944261      0.21552039
+H      2.54171954     -0.84248663     -1.23536178
+H      1.32736679     -0.47762130      0.02142823
+H      4.23557840     -0.45673578      0.63620747
+H      3.18325235      1.50399685     -0.88397774
+H      2.05574720      1.81678761      1.88346335
+H      4.96723024      2.94343223      0.14625933 
+
+18
+-1693.3503382300958 10.551097 11.53195 -9.1744 -7.0428 -10.2 0.8017 -0.1785 2.76 9.44865 -2.47087 7.811861916 12.7324075078 0.079707312
+C      2.46609648     -0.78111553     -0.00070034
+N      3.41432161      0.06258585      0.72537627
+C      3.53735164      1.43559635      0.20349868
+C      2.54606282      2.31468677      0.99199447
+O      2.74498204      2.10998772      2.39711718
+C      4.97617001      1.95178856      0.34221114
+O      5.49422818      1.87882511      1.66816421
+H      2.46356325     -1.78905601      0.43575820
+H      2.68496049     -0.86754463     -1.08409928
+H      1.44825177     -0.37707061      0.10399546
+H      4.33577455     -0.37576530      0.76781606
+H      3.28105605      1.48637299     -0.87606790
+H      1.50400220      2.07278454      0.70918051
+H      2.71254881      3.38192489      0.78289791
+H      2.84424594      1.12764366      2.44757069
+H      5.00632249      2.98961043     -0.04641776
+H      5.64975263      1.34767533     -0.28886662
+H      4.76964905      2.18117988      2.25802112 
+
+16
+-1562.2972598422652 10.178342 11.02074 -9.3965 -7.2693 -10.369 0.7781 -1.1917 -0.129 10.15564 0.76671 3.6823842 8.348225352 0.117496425
+C      1.31351306     -0.37241818      0.65688161
+N      2.68628953      0.11428388      0.78656621
+C      2.90868541      1.46757310      0.30549632
+C      2.71810649      2.47914572      1.45613477
+O      3.47578387      2.07594600      2.58439383
+C      4.29890382      1.59168336     -0.29400258
+O      5.01548106      0.64200403     -0.54910867
+H      1.26751060     -1.41622620      0.99417359
+H      0.92079623     -0.32099894     -0.37830867
+H      0.64088838      0.21054794      1.30318247
+H      3.35317306     -0.50473485      0.31531205
+H      2.21973447      1.75900244     -0.52412951
+H      1.63977539      2.55654909      1.69530972
+H      3.06272885      3.47998000      1.14957545
+H      3.38900293      1.09515959      2.58178243
+H      4.62193684      2.63967302     -0.51210902 
+
+16
+-1566.8257163743083 10.09587 11.15109 -9.0828 -6.8879 -10.24 0.7307 -1.0824 -0.104 9.98256 0.81462 3.7348178794 11.1861781018 0.139426393
+C      3.51561663     -1.19536078     -1.20474680
+N      3.22778893     -0.52170952      0.06651413
+C      3.48277135      0.90559499      0.02540343
+C      4.95019252      1.33378222     -0.00263391
+O      5.85610606      0.58546851      0.34951968
+C      5.28851050      2.74817532     -0.43944153
+O      6.65393023      3.03569766     -0.26601627
+H      3.33580003     -2.27228701     -1.08585501
+H      4.54889656     -1.05723609     -1.57710612
+H      2.81778534     -0.82760236     -1.97278820
+H      3.81508892     -0.93111137      0.79807189
+H      3.04994260      1.38490827      0.92443018
+H      2.95142060      1.35340793     -0.83158716
+H      4.65999475      3.46206989      0.12745455
+H      4.98899346      2.84685856     -1.50359116
+H      7.04478152      2.18446377      0.03735229 
+
+14
+-1426.860515414455 9.684985 10.52692 -9.0354 -6.8262 -10.303 -0.9012 -2.9947 -1.992 9.68615 2.25822 2.6601568258 7.2284085972 0.231914262
+C      2.30690168     -0.71917079     -1.32772849
+N      2.85161156     -0.40456873     -0.00166812
+C      3.54775733      0.86454067      0.04219223
+C      4.94966322      0.87991997     -0.55033805
+O      5.57242383     -0.12356285     -0.86607609
+C      5.65067660      2.24262741     -0.71182889
+O      5.12832640      3.30406783     -0.43571079
+H      1.84082444     -1.71289464     -1.29435891
+H      3.05245276     -0.71548663     -2.14602624
+H      1.51837380      0.00783743     -1.57453746
+H      3.50359962     -1.14482153      0.27165653
+H      3.66237580      1.20969837      1.08884463
+H      2.94686107      1.65324405     -0.43931768
+H      6.68918189      2.15570944     -1.11884268 
+
+18
+-1695.2180387417716 10.705905 11.82999 -9.4424 -7.2794 -10.449 0.7692 -0.2222 2.766 9.71423 -2.48005 8.1510008218 12.5077448758 0.079231649
+C      1.47139521     -0.39191077      0.14973862
+N      2.93585308     -0.37517862      0.13169618
+C      3.50503693      0.85508470     -0.43543415
+C      4.97532268      0.98433242     -0.00993695
+O      5.08803700      0.71518861      1.39521359
+C      5.91935688      0.05161045     -0.77817790
+O      7.22752140      0.08980241     -0.22175927
+H      1.12177757     -1.35190945      0.55317832
+H      1.00781663     -0.24139220     -0.84505927
+H      1.10841314      0.40429291      0.81590236
+H      3.27278720     -1.18358251     -0.39611542
+H      2.94519625      1.69952647     -0.00408706
+H      3.40847721      0.92534765     -1.53804834
+H      5.31535179      2.02218726     -0.16156791
+H      4.36473334      0.06210566      1.55504435
+H      5.99947101      0.37115019     -1.82948745
+H      5.52202404     -0.98552746     -0.76698112
+H      7.08058865      0.10071227      0.74639141 
+
+16
+-1562.8668181581154 10.428055 11.43163 -9.0263 -6.8384 -10.433 0.5905 -1.4096 -0.33 10.37342 0.94787 3.7005729462 8.7340821826 0.098163312
+C      1.37033005      0.24410771      0.83352961
+N      2.82824603      0.28720144      0.92568597
+C      3.42394175      1.14837899     -0.08805329
+C      4.95180789      1.02381306     -0.03660462
+O      5.36362047     -0.29972507     -0.31429613
+C      5.60909833      1.99818516     -0.98352140
+O      6.39824544      1.62828661     -1.83801033
+H      0.98006438     -0.47461007      1.56671196
+H      0.98783721     -0.03714741     -0.17030416
+H      0.95562719      1.23308914      1.08399985
+H      3.20674876     -0.65516807      0.79688368
+H      3.13807514      2.19444887      0.12265363
+H      3.08418168      0.91175379     -1.12193243
+H      5.26929718      1.31058014      0.99031293
+H      5.99812800     -0.21845775     -1.06080035
+H      5.34382049      3.07489346     -0.85860493 
+
+16
+-1572.1841386919812 10.310465 11.30396 -8.9686 -6.782 -10.25 1.8196 -0.2602 -0.18 10.82053 0.6866 4.376457828 9.5220132126 0.127682092
+C      1.01515624     -0.34443690      1.22000883
+N      2.25319474     -0.13433654      0.47292884
+C      2.68179939      1.26124970      0.47700846
+C      3.99218235      1.44358100     -0.26532423
+O      5.06802574      0.72212025      0.41939552
+C      5.90434076      1.46612129      1.18229632
+O      5.86391790      2.66565760      1.35118639
+H      0.77864137     -1.41685349      1.24273831
+H      0.18623873      0.16764210      0.70690849
+H      1.04414643      0.02960160      2.26514490
+H      2.99717918     -0.70424762      0.88330730
+H      2.77730252      1.69428499      1.49731049
+H      1.91833737      1.86157822     -0.04842218
+H      4.26566707      2.50375829     -0.33307438
+H      3.94006615      0.98688507     -1.26215548
+H      6.65481405      0.78732444      1.63315243 
+
+15
+-1470.0232620098468 11.159133 11.45196 -8.609 -6.6594 -9.283 1.1042 -0.8752 0.115 8.60587 0.56312 3.682508186 5.2425992268 0.298254085
+C      1.02605257      0.00734089      0.33647059
+N      2.38797545     -0.10325576     -0.16594813
+C      2.90545326     -1.43206642     -0.45738565
+C      4.42684702     -1.42099250     -0.53304918
+O      5.06897739     -2.26372218     -1.12651413
+N      2.87283902      0.81344306     -1.04846672
+C      2.25507404      1.92809693     -1.25412954
+H      0.91406521      0.92474417      0.93322514
+H      0.81728026     -0.84947244      0.98676668
+H      0.28034246      0.02997041     -0.48227381
+H      2.50348230     -1.86932295     -1.39015489
+H      2.63433855     -2.10692886      0.37186727
+H      4.91239876     -0.59563944      0.04232707
+H      2.73832164      2.62921771     -1.93498152
+H      1.30692206      2.21915738     -0.78640317 
+
+17
+-1601.0296390996507 11.53536 11.80122 -8.2121 -6.284 -8.781 1.1632 -0.2918 0.679 8.09481 -0.12872 4.5501746126 5.2094329718 0.241597644
+C      0.93325524     -0.10788695      0.58753839
+N      2.01366801     -0.17238117     -0.39179732
+C      2.70466347     -1.46666581     -0.49685360
+C      2.28206436     -2.24453950     -1.74341359
+O      2.53462104     -1.52321648     -2.94780216
+N      2.67549421      1.01368351     -0.51988396
+C      3.79553682      1.10086507     -1.15628068
+H      0.45125151      0.87217314      0.50710057
+H      1.29981092     -0.24367447      1.62299682
+H      0.19178354     -0.88957429      0.37213402
+H      2.47838417     -2.06436770      0.40384163
+H      3.79183069     -1.29259036     -0.51017090
+H      1.21263543     -2.52025545     -1.66470424
+H      2.86240008     -3.17746427     -1.81389939
+H      2.05028120     -0.67928592     -2.86951839
+H      4.22603520      2.10042964     -1.22494515
+H      4.31415411      0.27092102     -1.65241206 
+
+15
+-1497.0823058400092 11.149513 11.50866 -8.5081 -6.6058 -9.431 -0.3154 -2.1718 -1.276 8.60117 1.69342 2.9912738374 6.6211871622 0.176720881
+C      2.09650662     -0.54784661      0.45479034
+N      1.97099105      0.88660178      0.31275919
+C      3.06042677      1.70090963      0.16763274
+C      2.66745373      3.12469369     -0.12823520
+O      1.50494189      3.46797384     -0.29076012
+N      4.26521392      1.22706073      0.25425347
+C      5.44479552      2.06472167      0.19821260
+H      1.10581291     -0.97464841      0.64882742
+H      2.76490996     -0.78506591      1.29470737
+H      2.52535986     -1.01656988     -0.44724296
+H      1.07941154      1.30980675      0.06815191
+H      3.49450517      3.85821482     -0.22953167
+H      6.10410540      1.79066061      1.03733215
+H      5.29438662      3.15697942      0.24212814
+H      6.01035903      1.83687790     -0.72113537 
+
+17
+-1630.342808077575 11.275204 12.13842 -8.245 -6.3008 -9.207 0.7941 -0.2594 1.031 8.44042 -0.35657 4.6466109234 5.719784145 0.187854634
+C      1.16995955      0.71058141      1.38380076
+N      1.64455735      2.01349908      0.94971559
+C      2.91288424      2.15235408      0.43388848
+C      3.19345410      3.52594927     -0.17327635
+O      2.11122380      4.46003357     -0.07528774
+N      3.76213889      1.18354654      0.50004185
+C      5.10992042      1.40947075      0.00084521
+H      0.15427345      0.81850928      1.78360390
+H      1.82985069      0.32201229      2.17081945
+H      1.16846552     -0.02800926      0.56403454
+H      0.96698622      2.67579837      0.57943523
+H      3.39068794      3.40336874     -1.24987939
+H      4.11669747      3.93547707      0.27211334
+H      2.08985270      4.78920742      0.84063931
+H      5.70134096      0.49508044      0.14754357
+H      5.64187664      2.22674503      0.52623615
+H      5.14001006      1.64456590     -1.08069389 
+
+17
+-1649.3538073609175 11.066917 12.13908 -9.0248 -6.9856 -10.422 0.7803 -0.1977 0.673 9.48384 0.00727999999998 4.3765570168 12.5944606842 0.205843732
+C      1.06093154      0.08813924     -0.39670271
+N      2.44992002      0.27817997     -0.82448063
+C      3.02769392      1.54327792     -0.36120969
+C      4.55816360      1.59715431     -0.46191615
+O      5.16647306      2.66801228     -0.40890597
+N      5.14209026      0.37167904     -0.58290647
+C      6.57821428      0.18278358     -0.64082866
+H      0.67101825     -0.84585396     -0.82391673
+H      0.38220978      0.91464697     -0.68688188
+H      1.02891269     -0.00543582      0.69912675
+H      2.48399294      0.25926489     -1.84740277
+H      2.78217503      1.66111626      0.70738750
+H      2.63616235      2.44296572     -0.87222903
+H      4.49329169     -0.41741022     -0.58440772
+H      7.04096054      1.17706654     -0.67586211
+H      6.86718078     -0.38153759     -1.53989161
+H      6.95093929     -0.35027913      0.24749788 
+
+17
+-1586.3223055612013 11.805746 12.69307 -8.8856 -6.6796 -10.081 1.4142 -0.511 0.329 10.4036 0.17987 5.3314723916 6.5991424514 0.491994719
+C      0.95039839     -0.20912517      0.04978196
+N      2.40384721     -0.06248682      0.09411855
+C      2.84030933      1.30273152     -0.19005811
+C      4.35330801      1.39771083     -0.05369234
+O      4.72195705      2.75408269     -0.36913712
+N      6.11785831      2.87868356     -0.29039383
+C      6.49302086      4.07964516     -0.53488278
+H      0.68373423     -1.26358965      0.20506268
+H      0.48595012      0.13321068     -0.89909196
+H      0.50050387      0.37181597      0.86960893
+H      2.82315353     -0.69597298     -0.59155706
+H      2.36950655      1.97422796      0.54696090
+H      2.53636888      1.66763726     -1.19524157
+H      4.85956820      0.71110003     -0.75429448
+H      4.66857612      1.14837829      0.97110099
+H      7.56715412      4.26071664     -0.49730550
+H      5.79545522      4.89199403     -0.76997925 
+
+16
+-1576.4844678253626 10.146437 11.2531 -8.9754 -6.7628 -10.272 1.2403 -0.0724 0.099 10.35802 0.53461 4.3904806446 11.7085187212 0.12600629
+C      2.45361531     -0.68352022     -1.24148055
+N      2.54509325     -0.22141499      0.14711928
+C      2.97239649      1.15928359      0.26194445
+C      4.43428916      1.42567158     -0.11203256
+O      5.30986953      0.58051973     -0.14743624
+O      4.64131977      2.74751532     -0.35901026
+C      6.01520482      3.10842066     -0.64310044
+H      2.15239755     -1.73987120     -1.24829705
+H      3.39290151     -0.58787653     -1.82001189
+H      1.66763452     -0.11233201     -1.75915909
+H      3.21519445     -0.81012535      0.64871149
+H      2.85280965      1.50016996      1.30524654
+H      2.32254185      1.80626830     -0.34681393
+H      6.00504734      4.19105869     -0.80229723
+H      6.36900318      2.58659752     -1.54148658
+H      6.66293163      2.84518494      0.20299407 
+
+15
+-1488.3474446970579 10.446099 11.31563 -8.7885 -6.8639 -9.668 0.8288 -0.1006 0.83 8.85366 -0.23289 5.0211602308 6.0079772034 0.169814415
+C      0.95082560      1.08868520      0.48900864
+N      2.35707302      0.78772382      0.31185230
+C      3.18681076      1.60881812     -0.41539343
+N      2.95232903      2.78052793     -0.90580307
+C      4.56818104      1.05003284     -0.61286018
+C      5.38204863      0.58810653      0.52901187
+O      4.74623016     -0.36265128     -0.34943626
+H      0.48114211      0.27571148      1.05477797
+H      0.41855026      1.20056252     -0.47265766
+H      0.82092864      2.01814642      1.06526250
+H      2.65972004     -0.18473368      0.35254429
+H      1.99269731      3.08959425     -0.70447469
+H      5.07622228      1.43351027     -1.50157703
+H      4.95895315      0.64805454      1.53674813
+H      6.47327795      0.62884104      0.45583661 
+
+17
+-1634.5110882420079 11.417718 11.93502 -8.7184 -6.7378 -9.389 0.6658 -0.2919 0.759 8.63393 -0.11981 4.7237922084 5.6809393312 0.212554692
+C      0.28766820      1.21954076     -0.27429598
+N      1.62538896      1.77789365     -0.20972741
+C      2.62053948      0.96386805     -0.23304646
+N      3.92997978      1.35407583     -0.19533515
+C      4.38452205      2.70376357      0.16483492
+C      3.96722651      3.81931018     -0.80722978
+O      2.65529952      4.30521169     -0.60073668
+H     -0.28686821      1.51782252      0.61650895
+H      0.27759950      0.11473820     -0.33843058
+H     -0.24522896      1.62164266     -1.15031891
+H      2.49172431     -0.13119990     -0.31150994
+H      4.60513189      0.60474560     -0.09877699
+H      5.48242542      2.65469187      0.20121101
+H      4.01915279      2.97101049      1.17280685
+H      4.12429057      3.45758650     -1.84452259
+H      4.65001695      4.67065631     -0.64923608
+H      2.08786125      3.49370202     -0.46867517 
+
+15
+-1515.897719840377 10.845395 11.43695 -9.1199 -7.175 -9.9 0.0965 -1.6706 -0.964 9.82366 1.3888 3.3670010118 4.9308984228 0.169379828
+C      0.95684255     -0.06823987     -0.03922127
+N      2.38772866     -0.00967491     -0.27890749
+C      2.96131956      1.13267507     -0.08679424
+N      2.39987543      2.30635669      0.35080110
+C      4.45734195      1.24391347     -0.33248968
+C      5.20638304     -0.01259911     -0.68179051
+O      4.99586403      2.34388681     -0.24227362
+H      0.59079397     -1.08531331     -0.22865284
+H      0.39205843      0.61800401     -0.70168057
+H      0.70133181      0.20088731      1.00365320
+H      1.39858155      2.44247358      0.27865550
+H      3.00133035      3.12465965      0.26659151
+H      4.75388630     -0.49232600     -1.55991215
+H      5.11565655     -0.74104324      0.13628820
+H      6.25756581      0.23187985     -0.86466714 
+
+15
+-1507.4426518326295 10.795081 11.44496 -8.8124 -6.8332 -9.576 0.7094 -1.3023 -0.406 8.90486 1.0667 3.6345132054 11.6038249428 0.195541571
+C      0.89819481     -0.10932011      0.07611156
+N      2.34451915      0.03769000      0.03209201
+C      2.81324764      1.23743741      0.00142772
+N      2.09442200      2.41994409     -0.04575252
+C      4.31912638      1.38452368     -0.10148652
+C      4.99625104      2.48686191      0.67350511
+O      4.45859689      3.48572173      1.12713263
+H      0.64376958     -1.17362024      0.16506268
+H      0.41190240      0.27534016     -0.84046574
+H      0.43706818      0.41182979      0.93932767
+H      1.11236384      2.35373466      0.20967586
+H      2.58344306      3.22731948      0.34693384
+H      4.59629908      1.56900558     -1.15858670
+H      4.77793795      0.41836886      0.15271354
+H      6.09995797      2.34720299      0.79442886 
+
+15
+-1513.1303333630342 11.343925 11.70297 -9.205 -7.3116 -9.935 1.1182 -0.6417 -0.289 10.11592 0.81032 4.2056175186 5.4105878582 0.394681571
+C      1.23717202      0.31364868     -1.47693904
+N      2.58781716      0.15762069     -0.97083024
+C      3.18665246      1.21216144     -0.57838898
+N      4.48529247      1.17978262     -0.07226824
+C      5.19439950     -0.09411292      0.02734478
+C      5.10010272      2.35853069      0.32605099
+O      6.23232472      2.44292201      0.77474991
+H      1.19415192     -0.04278100     -2.51752742
+H      0.85984463      1.35426225     -1.44595404
+H      0.55376100     -0.32359445     -0.89547364
+H      2.74979692      2.22759081     -0.59811106
+H      4.59389422     -0.80410262      0.60926097
+H      6.15363424      0.10260576      0.51588846
+H      5.35171587     -0.51530589     -0.97432271
+H      4.43207014      3.23721192      0.18845026 
+
+15
+-1523.142145384649 11.445526 12.03165 -9.2208 -7.3233 -9.923 0.9454 -0.7578 -0.054 9.9022 0.64923 4.2376183052 5.6772941428 0.318158751
+C      0.74733932      0.19119470      0.17277985
+N      2.18408173      0.17559174     -0.03120139
+C      2.79443491      1.29274557      0.04748840
+N      4.17338593      1.35172058     -0.13590948
+C      4.91510328      2.52775781     -0.06239901
+C      6.40740014      2.35422990     -0.26672621
+O      4.39773551      3.61617280      0.16189748
+H      0.24870178     -0.22018349     -0.71847348
+H      0.33214611      1.19586881      0.37838919
+H      0.49213390     -0.47342177      1.01275883
+H      2.34073621      2.27447870      0.25440681
+H      4.63601045      0.46455511     -0.32681272
+H      6.69904412      1.34576447     -0.58616864
+H      6.91804528      2.59062614      0.67692084
+H      6.74451133      3.08502894     -1.01232048 
+
+15
+-1501.1983115770533 11.197389 11.90586 -8.5285 -6.5595 -9.308 0.8642 -1.1904 -0.28 10.29983 0.90472 3.679470529 9.0210601782 0.268155715
+C      0.62268163      2.39131362      0.00923142
+N      2.07150985      2.45148501     -0.00151151
+C      2.69762387      1.34290754     -0.15602047
+N      4.06425572      1.26540300     -0.17030820
+C      4.89738151      2.42469866     -0.04419249
+C      6.35239363      2.06602654     -0.15511475
+O      6.76120371      0.93270770     -0.34094815
+H      0.21304499      3.03252905     -0.78804432
+H      0.23727707      2.78791896      0.96270085
+H      0.21490511      1.36911323     -0.12645282
+H      2.20085691      0.36208800     -0.28417610
+H      4.53880266      0.38251237     -0.33969843
+H      4.74046840      2.94962751      0.91939645
+H      4.66888152      3.19050036     -0.81301041
+H      7.05525341      2.92849846     -0.05426108 
+
+15
+-1519.2035946175677 10.762264 11.15807 -9.4354 -7.5802 -10.296 0.8779 -0.8557 -0.27 9.87139 0.80158 4.120302752 5.6071800598 0.303658823
+C      0.95988321     -0.50997273     -0.28965724
+N      2.37369266     -0.28845764      0.00977710
+C      3.24639420     -1.38433642     -0.03386615
+N      2.97191755     -2.60379382     -0.31387554
+C      2.78929213      1.02106189      0.32837664
+C      4.25846671      1.24101020      0.63250506
+O      1.98383509      1.94490436      0.35524762
+H      0.45075380      0.45362136     -0.19716755
+H      0.52467770     -1.22647778      0.42183822
+H      0.83923852     -0.89324138     -1.31323395
+H      4.28269004     -1.13207512      0.20725906
+H      1.97363782     -2.73705187     -0.52561870
+H      4.89711327      0.97210242     -0.22009829
+H      4.58826735      0.65646270      1.50234413
+H      4.38371995      2.30585382      0.85034959 
+
+17
+-1607.1417547897358 11.760289 12.13992 -8.2105 -6.2777 -8.789 0.8928 -0.2175 0.648 8.15262 -0.02653 4.6733051092 5.1019371098 0.212095688
+C      0.94486777     -0.14499876     -0.18289574
+N      2.39056069     -0.21338781      0.00222803
+C      2.95230772     -1.54974912      0.12396061
+N      3.05038239      0.70892136     -0.75588836
+C      4.27232768      0.54892728     -1.13492126
+C      4.91506745      1.68676976     -1.88107986
+O      4.03101934      2.77072006     -2.09552300
+H      0.64968557      0.91013562     -0.20280500
+H      0.44646963     -0.64140763      0.66036351
+H      0.61384844     -0.62193748     -1.12580858
+H      2.27473759     -2.16028772      0.73244970
+H      3.92556356     -1.51003765      0.63463186
+H      3.09111013     -2.03917469     -0.86174196
+H      4.88241280     -0.34032103     -0.92900038
+H      5.29141595      1.31483412     -2.85477221
+H      5.80588749      2.02847654     -1.31479768
+H      3.20476578      2.50536714     -1.63420968 
+
+15
+-1480.6741837694792 12.404763 11.83159 -8.4013 -6.6467 -9.003 0.2269 -1.4665 -1.192 8.21816 1.65566 3.2984739496 4.0482296902 0.487037066
+C      0.89342184     -0.53837493      0.57183511
+N      1.62305290     -1.38554637     -0.36107098
+C      2.65096822     -2.28613829      0.14262707
+N      1.16832897     -1.43677215     -1.59843487
+C      1.67977966     -2.26896581     -2.47508256
+C      1.12399340     -2.23057846     -3.81882326
+O      1.49556839     -2.95465357     -4.74094081
+H      0.22312997      0.09916110     -0.01277572
+H      1.59084866      0.08973100      1.14564147
+H      0.29490540     -1.14031454      1.27677658
+H      2.86104765     -2.03420884      1.18749030
+H      3.57824957     -2.17972014     -0.44230817
+H      2.32185326     -3.33818694      0.08535958
+H      2.48500007     -2.98455812     -2.27004552
+H      0.31052204     -1.47418394     -3.95272821 
+
+17
+-1619.6786643584783 11.005585 11.66653 -9.2748 -7.2173 -10.13 0.7284 -0.2189 0.455 9.77587 0.15708 4.3653982768 5.862306052 0.200989153
+C      1.28114901     -0.08349368      0.58656281
+N      2.45277693      0.20985700     -0.24272651
+C      2.75736803     -0.86841118     -1.18664433
+N      2.35701710      1.46763143     -0.87912976
+C      1.32277660      1.75977537     -1.86618958
+C      3.28268126      2.41828382     -0.51320984
+O      3.33710175      3.55846706     -0.96169881
+H      1.10914977      0.75284070      1.27574276
+H      1.49526490     -0.98356877      1.17912138
+H      0.35627796     -0.26914734      0.00395771
+H      2.97745207     -1.77774281     -0.61066365
+H      3.64995694     -0.59969333     -1.76563867
+H      1.92741846     -1.09828753     -1.88512744
+H      1.40260559      1.09593972     -2.73948758
+H      1.48416984      2.79605822     -2.18537332
+H      0.31607545      1.66880700     -1.43208800
+H      3.97744835      2.00418434      0.24932283 
+
+17
+-1629.4381462630538 11.149387 11.86707 -9.1632 -7.1469 -10.47 0.7273 -0.2407 0.604 9.61019 0.05279 4.4087809782 12.5084267988 0.30311578
+C      1.01139489     -0.41805918      0.11757273
+N      2.41667252     -0.16376356     -0.21455801
+C      2.92838857     -1.11619757     -1.20521364
+N      2.58844089      1.15512790     -0.65988334
+C      3.38072084      2.09377481     -0.02988306
+C      4.09698793      1.63797486      1.22475804
+O      3.47474400      3.22907085     -0.49433925
+H      0.68582865      0.29636995      0.88352713
+H      0.91724086     -1.43610563      0.51937705
+H      0.34134548     -0.32632203     -0.76331764
+H      2.83580453     -2.13437309     -0.80330996
+H      3.98799186     -0.90586787     -1.39521286
+H      2.37713552     -1.06830233     -2.16799286
+H      2.10889803      1.47068017     -1.51260322
+H      3.38140623      1.30199336      1.98714446
+H      4.68036339      2.48243098      1.60430353
+H      4.75941580      0.78769838      1.01396090 
+
+17
+-1642.2828179686037 11.079923 11.94261 -9.0105 -7.0404 -9.741 0.5936 -0.378 0.873 8.90082 -0.22035 4.9140487254 5.9844570592 0.151626516
+C      0.93844908      0.07947046      0.57059375
+N      2.34567431      0.16558094      0.23183309
+C      3.02199429      1.35731289      0.13500836
+N      2.49452437      2.53878466      0.22621497
+C      4.51914922      1.23137249     -0.08168269
+C      5.11978800      2.44081873     -0.81309183
+O      4.98136991      3.64624915     -0.07896331
+H      0.65234698     -0.97646178      0.63312787
+H      0.31154698      0.55446581     -0.20142251
+H      0.71864367      0.55646172      1.54084597
+H      2.88997861     -0.68953478      0.21508788
+H      1.48225007      2.51291396      0.38812637
+H      4.73934612      0.31058675     -0.64810690
+H      5.00236236      1.13494012      0.90576793
+H      4.64889792      2.52044726     -1.81437359
+H      6.19734290      2.27285778     -0.96611330
+H      4.01125521      3.67827385      0.12193796 
+
+17
+-1641.0360038464523 11.060613 11.97043 -8.6202 -6.7042 -9.566 0.767 -0.2365 1.033 8.75456 -0.40298 5.062906317 6.030555054 0.157814567
+C      0.79425871      0.50921149     -1.08787736
+N      2.15098493      0.15023103     -0.73324404
+C      3.07309618      1.07717513     -0.31311829
+N      2.89102419      2.32679704     -0.03929853
+C      4.47267319      0.49255427     -0.09276826
+C      4.62043975     -0.07504697      1.31395956
+O      4.75939890     -0.58231171     -1.01748323
+H      0.26635749     -0.38681781     -1.43450346
+H      0.75597994      1.26936913     -1.88884864
+H      0.25038923      0.90390489     -0.21460634
+H      2.54569826     -0.71823049     -1.08795384
+H      1.90915852      2.60401603     -0.17167577
+H      5.18144798      1.32403282     -0.23382968
+H      3.92711596     -0.91481769      1.46426501
+H      4.39552976      0.70436345      2.05276789
+H      5.64632323     -0.43451580      1.46870038
+H      4.94942376     -0.17970482     -1.88291540 
+
+15
+-1510.5059660576817 11.995144 11.7255 -8.1403 -6.3735 -8.897 0.7408 -0.8377 -0.501 8.23196 1.18361 3.5662465138 4.378503597 0.475978906
+C      2.67681306     -0.48563000     -1.67831453
+N      2.13847533      0.70140111     -1.03308282
+C      2.93324199      1.59291436     -0.35030402
+N      2.19630289      2.62088127      0.23586712
+C      4.30347711      1.45498343     -0.23745287
+C      5.18092253      2.48467011      0.24391855
+O      6.40035186      2.37497906      0.40187204
+H      1.86991357     -0.97486193     -2.23647131
+H      3.10157835     -1.21000406     -0.96215676
+H      3.46127593     -0.19836793     -2.39096910
+H      1.19273350      0.61821954     -0.66672155
+H      1.50254349      3.04276653     -0.38065433
+H      2.76553530      3.32204761      0.70403592
+H      4.77304716      0.51888036     -0.53648763
+H      4.69519794      3.47678054      0.47142129 
+
+17
+-1628.5923158189755 11.284762 12.28979 -8.5818 -6.6323 -9.467 0.8661 -0.0766 1.159 8.65575 -0.53662 5.0608109536 6.0625930364 0.16505843
+C      0.67052802      3.01740933      2.14774881
+N      1.47177460      2.11044006      1.35051969
+C      2.54817863      2.55165323      0.61890780
+N      2.90378345      3.76539387      0.35855213
+C      3.36023207      1.43409547     -0.01392098
+O      3.26149738      0.24568290      0.77132121
+C      3.91194290     -0.85560288      0.15111314
+H     -0.07921681      2.43807090      2.69919564
+H      0.13455652      3.73446949      1.50592111
+H      1.27732204      3.58887749      2.87303234
+H      1.51910030      1.13162857      1.62550539
+H      2.25865840      4.44416292      0.78294004
+H      4.40529532      1.77536413     -0.10252347
+H      2.97159235      1.24556999     -1.03476226
+H      3.78418825     -1.72146112      0.81269126
+H      4.99160923     -0.66064065      0.01588974
+H      3.46783733     -1.08221372     -0.83630160 
+
+15
+-1454.1023929354133 11.788896 11.72952 -8.9492 -7.0195 -9.304 0.2945 -1.3529 -0.209 8.70671 0.69378 4.287311894 5.3258434272 0.559308645
+C      1.15467672     -0.50898835     -0.14409646
+N      2.55253240     -0.14692930     -0.27446744
+C      2.97006287      0.98299341      0.18434861
+N      2.17144708      1.95479323      0.84192030
+O      1.04699952      2.40162124      0.05402029
+C      4.42061905      1.24359093      0.11783711
+C      5.04672761      2.41487574      0.31469089
+H      1.06787408     -1.60149105     -0.22405332
+H      0.55013148     -0.06490707     -0.95102556
+H      0.71666305     -0.18856166      0.82056152
+H      2.70601897      2.80029041      1.05017022
+H      0.28339138      2.17331435      0.61696280
+H      4.99657641      0.35062447     -0.13457635
+H      4.52449416      3.34843755      0.53730680
+H      6.13159521      2.48503609      0.23593061 
+
+13
+-1295.1989823654287 11.207919 11.50979 -9.0398 -7.1267 -9.528 0.5918 -1.0993 0.013 8.92671 0.53061 4.1044201454 5.8914923564 0.239321319
+C      1.04464826     -0.25153558      0.13420567
+N      2.49506701     -0.19536069      0.06842442
+C      3.05172239      0.96261486     -0.05063487
+N      2.34352124      2.17171021     -0.22628167
+O      3.02727746      3.34664907      0.22455009
+C      4.48207277      1.05825430     -0.13019928
+C      5.69213783      1.11802519     -0.20165809
+H      0.73524089     -1.28578323      0.33044801
+H      0.57548543      0.07013158     -0.81337319
+H      0.62187014      0.37874324      0.94354761
+H      1.43114670      2.16166920      0.23659042
+H      3.21090004      3.82443686     -0.60641930
+H      6.76079983      1.15589500     -0.25852981 
+
+15
+-1461.684044807496 12.900616 12.26702 -7.7209 -5.8989 -8.542 1.1606 -0.3799 0.372 7.79741 0.26111 4.713017825 4.812888548 0.420172098
+C      0.90169243      0.23810339      0.09067429
+N      2.34865874      0.21389544      0.02663560
+C      2.99371002      1.32832365      0.04363367
+N      4.36004924      1.28008609     -0.02149100
+O      4.89456823     -0.00455418     -0.09812968
+C      5.24047086      2.34445826     -0.01377630
+C      6.58026394      2.25161680     -0.07226352
+H      0.55498358     -0.33954433      0.96209360
+H      0.47889310     -0.24608572     -0.80358547
+H      0.48155374      1.25832539      0.16229442
+H      2.56810478      2.34058749      0.10619743
+H      4.03820640     -0.53051607     -0.08090565
+H      4.71842595      3.30123132      0.04604142
+H      7.08527504      1.29048620     -0.13178503
+H      7.17472395      3.16139626     -0.06076378 
+
+16
+-1624.985433961224 10.773941 11.80678 -9.0667 -7.0937 -10.062 0.9333 -0.1437 0.426 9.25798 0.19754 4.3107080522 11.601060055 0.268463705
+C      0.78922121     -0.10025730      0.03922272
+N      2.22917303     -0.21620857     -0.16287368
+C      2.82231374     -1.45631045     -0.13550779
+O      2.22823736     -2.52717090     -0.05399358
+C      3.01336180      0.98993131     -0.11449228
+C      4.16704344      1.18302904     -1.06776367
+C      2.90130321      1.98633097     -1.24620531
+H      0.34931701      0.55668747     -0.72432225
+H      0.56512660      0.31651407      1.03478598
+H      0.35809497     -1.10489680     -0.03487525
+H      3.92899931     -1.38113339     -0.21212564
+H      3.13207576      1.41652415      0.88841196
+H      4.35970650      0.39633241     -1.79613069
+H      5.05781595      1.67993697     -0.68433011
+H      2.90827347      3.04613774     -0.99297952
+H      2.25873664      1.71255329     -2.08335090 
+
+16
+-1637.2948811693686 10.915679 12.08439 -9.2386 -7.2975 -10.479 0.7554 -0.1797 0.635 9.42547 0.04222 4.4034495802 11.6720048442 0.283247476
+C      1.40985430     -0.65088557     -0.24382383
+N      2.81417666     -0.34721842     -0.03360408
+C      3.33237532      0.91317319     -0.20796005
+O      2.64662029      1.87475107     -0.56767592
+C      4.80110582      1.02834642      0.07234035
+C      5.58945850      2.02504681     -0.76078698
+C      5.29069672      2.33638874      0.67208832
+H      1.28147355     -1.44117097     -0.99820412
+H      0.93155076      0.26852255     -0.60145989
+H      0.92160968     -0.96631034      0.69085603
+H      3.43738306     -1.08549270      0.27640548
+H      5.32236407      0.11836402      0.37852312
+H      5.01371218      2.56195387     -1.51492149
+H      6.60528035      1.74513889     -1.03926584
+H      6.09548475      2.27579889      1.40450786
+H      4.51712400      3.07941354      0.86690104 
+
+15
+-1506.2256472761976 10.280355 11.24984 -9.1501 -7.1995 -10.515 0.8437 -0.1641 0.543 9.51817 0.12804 4.3773381286 12.3030563884 0.226323999
+C      1.99614354     -0.46445293      0.38863988
+N      3.33889783     -0.00815661      0.08784072
+C      4.34374671     -0.85390212     -0.27718535
+O      4.24085415     -2.07839701     -0.38711346
+C      5.64976666     -0.15255109     -0.57669214
+C      5.77907422      0.75207699     -1.75874744
+N      5.68783410      1.31558051     -0.39911508
+H      1.73295057     -0.27105826      1.43966924
+H      1.96784044     -1.54622734      0.20946799
+H      1.25464928      0.02745897     -0.25866637
+H      3.60811565      0.97060480      0.19578425
+H      6.52542986     -0.74980947     -0.31240711
+H      4.90417758      0.93210664     -2.38720271
+H      6.74054834      0.77059474     -2.27718750
+H      6.61000108      1.60929218     -0.06525494 
+
+14
+-1436.556053010011 9.578443 10.58598 -9.454 -7.4895 -10.662 0.9574 -0.055 0.323 9.75875 0.32726 4.3934067142 11.623811486 0.297228702
+C      1.42235593     -0.41232797     -0.01653752
+N      2.80928030      0.01212935      0.03770565
+C      3.71319325     -0.29404516     -0.93485594
+O      3.47650312     -0.93981704     -1.95739538
+C      5.10114218      0.25184887     -0.67814000
+C      5.34708870      1.70732946     -0.67497232
+O      5.33292602      0.96216199      0.55956280
+H      1.17813514     -1.07816813      0.82412843
+H      1.28153344     -0.95867115     -0.95690841
+H      0.74144089      0.45135631      0.00276360
+H      3.17559734      0.49613647      0.85580699
+H      5.90548047     -0.41651960     -0.99987540
+H      4.50223851      2.38799245     -0.82055785
+H      6.32937472      2.08165414     -0.97907464 
+
+16
+-1633.6096301657244 11.733429 11.9591 -8.5067 -6.6753 -9.098 1.0267 -0.6016 0.02 8.47543 0.60211 4.1901440658 5.116840227 0.383670817
+C      3.82674616     -1.06196894     -1.02477627
+N      2.91525231     -0.14297583     -0.34614101
+C      1.68846024     -0.64554055      0.06135669
+O      1.31862365     -1.80205080     -0.10794987
+C      3.31053057      1.19777962     -0.13488534
+C      2.34530481      2.11438306      0.57294542
+C      4.51240965      1.65060590     -0.54987573
+H      4.76504525     -1.15544094     -0.45996368
+H      4.04942249     -0.70030069     -2.03858816
+H      3.32646945     -2.03382186     -1.07847564
+H      1.05673373      0.10802643      0.56527562
+H      2.10741485      1.76306428      1.58803969
+H      1.39718525      2.22267647      0.02548086
+H      2.79982684      3.10759168      0.65845040
+H      5.24284006      1.03113631     -1.06382480
+H      4.77959468      2.68938587     -0.36772818 
+
+16
+-1641.2888688548908 11.97562 12.78635 -9.1423 -7.2473 -9.856 0.7347 -0.8725 -0.152 9.2342 0.74577 4.1536921818 5.4957662402 0.458266469
+C      1.75451539     -0.56380124     -1.41012133
+N      3.15472910     -0.32223119     -1.11827602
+C      3.56763527      0.59322889     -0.17399655
+O      2.77386903      1.26908238      0.48801324
+C      5.04900633      0.68236693     -0.03051302
+C      5.60845637      1.52365995      0.85246934
+C      7.07242727      1.69308153      1.08419526
+H      1.49829241     -1.62518199     -1.27467457
+H      1.49743959     -0.26283366     -2.43749950
+H      1.16991172      0.04053976     -0.70591334
+H      3.86190530     -0.83675752     -1.63330458
+H      5.67599181      0.04261961     -0.66211660
+H      4.92136125      2.13250531      1.45089754
+H      7.67547515      1.04528421      0.43363724
+H      7.32819581      1.46912508      2.13263357
+H      7.37533819      2.73869196      0.91307933 
+
+18
+-1781.7626590123136 11.381417 12.6128 -9.1376 -7.2171 -10.528 0.7092 -0.249 0.672 9.44657 0.02352 4.3741516884 6.3487403258 0.117141396
+C      1.30999161      2.78007684      0.23454797
+N      2.62720723      2.24205668      0.52767405
+C      3.59375814      2.08410154     -0.43408610
+O      3.41429010      2.38377445     -1.61637467
+C      4.92279780      1.50310812      0.06576841
+C      5.19602532      0.17101172     -0.64803243
+C      6.04884499      2.51623705     -0.18787102
+H      1.12124319      3.70615606      0.79789578
+H      0.51896857      2.05179782      0.46791031
+H      1.28596267      3.00302117     -0.83884491
+H      2.85081066      1.97538978      1.48095183
+H      4.85220147      1.31574049      1.15238425
+H      5.22675318      0.32921988     -1.73509688
+H      4.41305675     -0.57073860     -0.43386803
+H      6.16097660     -0.24634239     -0.32643717
+H      6.10815706      2.74822794     -1.26036429
+H      7.01558078      2.10498824      0.13625879
+H      5.87676389      3.45673322      0.35527411 
+
+16
+-1639.0385265735995 11.383291 12.21473 -9.2213 -7.3287 -9.908 0.7714 -0.8421 -0.086 9.39078 0.60142 4.181799808 5.6055558432 0.240608432
+C      2.40562078      3.40619948      1.08175215
+N      3.76419073      2.96872850      0.81386428
+C      4.04659694      1.88089236      0.02622657
+O      3.17633676      1.19174712     -0.51391235
+C      5.51456858      1.57138822     -0.14688463
+C      5.84814256      0.10891970     -0.21178334
+C      6.41876809      2.54989518     -0.32224657
+H      2.25682701      4.45246974      0.77499134
+H      2.15620766      3.30779041      2.14920422
+H      1.73589260      2.76236775      0.49905132
+H      4.53533341      3.40272461      1.31045489
+H      5.23042557     -0.37727855     -0.98005441
+H      5.61121679     -0.39072372      0.74055391
+H      6.90958735     -0.04841419     -0.43938356
+H      6.13513822      3.60376290     -0.33727045
+H      7.47096695      2.31962048     -0.50149340 
+
+14
+-1481.4322533614509 11.395643 12.53525 -9.2222 -7.3658 -9.951 0.8797 -0.836 -0.086 9.39889 0.68348 3.6679894254 10.4533092544 0.494144508
+C      3.03130764     -1.28637792     -0.00231345
+N      2.41600964      0.03355884      0.00045318
+C      3.07693976      1.23662223      0.00007604
+O      2.48840615      2.32225515     -0.00024024
+C      4.52749605      1.14657467      0.00034283
+C      5.74487833      1.17725527      0.00034706
+C      7.19581574      1.22487655      0.00032989
+H      2.23396547     -2.03851244      0.00605058
+H      3.66153831     -1.44184364      0.88580086
+H      3.64726129     -1.44617608     -0.89980066
+H      1.40252449      0.11546006     -0.00197958
+H      7.55731720      2.26343346     -0.01177996
+H      7.60536845      0.71056532     -0.88167561
+H      7.60432149      0.73191854      0.89493908 
+
+16
+-1635.908322492384 11.429249 12.32472 -9.2099 -7.1983 -9.774 0.9778 -0.2658 0.391 9.45715 0.22641 4.332938742 6.3983347258 0.258208175
+C      0.65657680      0.18183058      1.02271484
+N      1.93499343     -0.25096366      0.48428756
+C      3.05772613      0.53406085      0.53423535
+O      3.09015426      1.63623860      1.08120645
+C      4.28820910     -0.05668169     -0.16605660
+C      4.56265605      0.66652428     -1.45603255
+C      4.67523773      0.07614432     -2.65070619
+H      0.25007364     -0.56408583      1.72079301
+H     -0.07741039      0.36365352      0.22239364
+H      0.83409140      1.12099779      1.56034541
+H      1.97924904     -1.11808675     -0.04090715
+H      4.18393067     -1.13800974     -0.34601530
+H      5.12836668      0.09397221      0.53059064
+H      4.66219339      1.75295007     -1.36860188
+H      4.58154297     -1.00711567     -2.76543617
+H      4.87337910      0.65503110     -3.55361106 
+
+14
+-1481.301122856498 10.878189 11.77963 -9.3406 -7.3888 -10.134 0.7864 -0.1182 0.509 9.55402 0.20826 4.3161138418 10.703649387 0.849115751
+C      1.90682547     -0.89230979     -0.35055234
+N      3.00837934     -0.04204730      0.06437646
+C      3.46589580      0.98827160     -0.69666518
+O      3.01292174      1.30755270     -1.79415023
+C      4.64590826      1.78733426     -0.09192045
+C      5.14029790      1.35456183      1.20432233
+C      5.51660701      0.95888432      2.28978749
+H      2.22791555     -1.94037787     -0.43968129
+H      1.56722304     -0.53694890     -1.33044640
+H      1.07161430     -0.83313070      0.36265561
+H      3.47089782     -0.20313339      0.95716888
+H      4.31344110      2.83612272     -0.04592359
+H      5.45133958      1.75640420     -0.84212192
+H      5.87109309      0.63608632      3.24765062 
+
+15
+-1518.192872910414 10.708165 11.12849 -9.5172 -7.6624 -10.337 0.8244 -0.9186 -0.364 10.16203 0.87298 4.1135083192 5.6251952256 0.318677286
+C      1.08427929      0.07054214      0.14957981
+N      2.50114721     -0.00414588     -0.20532851
+C      3.02658305     -1.25978110     -0.50132153
+O      2.38360951     -2.29955695     -0.48326731
+C      3.27006482      1.18979938     -0.23579466
+C      4.72661008      1.08113434     -0.61283543
+N      2.79919049      2.35324284      0.03722172
+H      0.54017784      0.70836173     -0.56116864
+H      0.95922655      0.46384304      1.16829637
+H      0.68644448     -0.94824631      0.10210053
+H      4.10054608     -1.22906441     -0.75971135
+H      4.86186167      0.67355125     -1.62464147
+H      5.28818507      0.44684206      0.08751846
+H      5.14011191      2.09376228     -0.58146811
+H      1.80186194      2.32113560      0.28146012 
+
+17
+-1653.7732362543275 11.049421 12.23397 -9.1634 -6.9605 -10.538 0.8095 -0.1665 0.597 9.53573 0.0827 4.360897585 12.6767997868 0.253708821
+C      0.87776445      0.80634441     -0.11753714
+N      2.32869719      0.73809852     -0.10758988
+C      3.11366353      1.74529459      0.39752359
+O      2.64693305      2.78757491      0.86296106
+C      4.61368135      1.48122024      0.34158745
+C      5.36734476      2.62831276     -0.34138092
+N      6.81251874      2.34972367     -0.33873918
+H      0.43460830      0.00030301      0.48653419
+H      0.48198092      0.74442228     -1.14222615
+H      0.59815536      1.77404273      0.31623936
+H      2.78714714     -0.09034884     -0.47237751
+H      4.85479348      0.53277000     -0.16288107
+H      4.96160150      1.39326992      1.38503180
+H      5.07510227      3.57373744      0.14972000
+H      5.04205368      2.69659739     -1.39227416
+H      7.17166824      2.41379332      0.61861296
+H      7.30164603      3.07365366     -0.87006441 
+
+15
+-1523.0949319023862 11.875932 12.04609 -8.2127 -6.2944 -9.042 1.1106 -0.3248 -0.042 8.511 0.6563 4.207712882 4.8405622232 0.372413201
+C      1.21504034     -0.38367286     -0.16587460
+N      2.63322156     -0.16032843      0.03380017
+C      3.22015772      1.08035224     -0.13803063
+O      2.56221029      2.07113613     -0.48765153
+C      4.67152065      1.10546966      0.12172933
+C      5.34317726      2.27407353     -0.01373926
+N      6.67256702      2.49863022      0.23978412
+H      1.03114176     -1.13927716     -0.94541720
+H      0.78419785      0.57266316     -0.48736845
+H      0.71886442     -0.70290863      0.76442757
+H      3.21614789     -0.93245972      0.33907579
+H      5.18653279      0.18759131      0.42064537
+H      4.76545225      3.15341482     -0.31217138
+H      7.29317262      1.69955189      0.32901445
+H      7.09880558      3.32623384     -0.16054374 
+
+17
+-1657.7888889678318 10.926929 11.88927 -8.9005 -6.9149 -10.369 0.7305 -0.3042 0.686 9.42533 0.00747999999999 4.3567688512 6.318698518 0.135366117
+C      1.47707323     -0.61577722      0.13890520
+N      2.69538662      0.16819827      0.16911751
+C      3.83875595     -0.21684018     -0.46069059
+O      3.95592004     -1.24088573     -1.13947502
+C      5.03746598      0.73534082     -0.22131693
+C      5.86347549      0.88631146     -1.50146755
+N      4.60176947      2.00766461      0.39250409
+H      1.20312898     -0.97025969      1.14407138
+H      1.65801379     -1.48391653     -0.50657236
+H      0.63895226     -0.03250332     -0.27066785
+H      2.77815059      1.02688310      0.71680762
+H      5.65029502      0.21224646      0.53324851
+H      5.30040585      1.45643553     -2.25721040
+H      6.09073825     -0.09887707     -1.92767651
+H      6.80336001      1.41764027     -1.29590802
+H      4.37462252      2.68132667     -0.34517367
+H      5.36938597      2.42059254      0.92536461 
+
+13
+-1391.1618409180962 9.794882 10.65404 -9.8865 -7.9602 -10.935 0.7553 -0.249 0.122 9.96651 0.56573 4.3501356002 12.1154283746 0.47802113
+C      1.36478135     -0.54524186     -0.10006687
+N      2.63444140      0.06935383      0.25433813
+C      3.22287424      1.01994077     -0.51819728
+O      2.76875399      1.46169165     -1.56922955
+C      4.57996866      1.56741503     -0.00112128
+C      5.05720854      1.00430394      1.25126653
+N      5.37725641      0.50612498      2.25746709
+H      1.47681652     -1.63228595     -0.21615780
+H      1.04009286     -0.11220390     -1.05278369
+H      0.60328459     -0.34216652      0.66598490
+H      3.10569197     -0.22140520      1.10831421
+H      4.47091110      2.65745603      0.09575494
+H      5.31990836      1.39118720     -0.79542935 
+
+14
+-1464.5901020624704 9.83669 10.47456 -9.9447 -7.9697 -11.169 0.566 -1.2576 -0.808 10.4608 1.21799 4.006917555 5.7336457798 0.278498453
+C      0.93369226     -0.16008233      0.36396557
+N      2.33014501     -0.30417191     -0.06515827
+C      2.86501227     -1.58526129     -0.20718070
+O      2.24761381     -2.61646281      0.00233559
+C      3.05682133      0.88235273     -0.31280883
+C      4.50101975      0.76622206     -0.75747206
+O      2.50614300      1.96416675     -0.16306834
+H      0.88815344      0.41213631      1.29806357
+H      0.53162955     -1.16683617      0.50782767
+H      0.36277445      0.37916644     -0.40110869
+H      3.92226382     -1.57966581     -0.53394876
+H      5.11980420      0.25466877     -0.00752408
+H      4.87610272      1.78516442     -0.89416794
+H      4.59440438      0.22018285     -1.70615474 
+
+16
+-1589.713435903841 10.235123 11.30808 -9.8188 -7.5111 -10.758 0.5946 -0.3961 0.345 9.72487 0.33918 4.3542271382 12.4824641304 0.173320707
+C      0.95664984     -0.24268179     -0.05361529
+N      2.40490617     -0.09207578     -0.10298437
+C      3.01300765      1.08508301      0.21571037
+O      2.35173449      2.09212246      0.51510727
+C      4.53587657      1.08987826      0.19340267
+C      5.08132002      2.45360502     -0.25841429
+O      4.73271692      3.49744892      0.63806981
+H      0.69097909     -1.23537116     -0.43347080
+H      0.47322482      0.52445768     -0.67336397
+H      0.58090872     -0.13467421      0.97448428
+H      2.98100830     -0.89631602     -0.32653159
+H      4.92623945      0.28751425     -0.45348303
+H      4.88731811      0.89259821      1.22002524
+H      4.72104936      2.66618008     -1.28532161
+H      6.18039525      2.41330760     -0.29602276
+H      3.75965523      3.40355348      0.75331808 
+
+16
+-1590.1421606639626 10.20708 11.27552 -9.1041 -7.1152 -10.572 0.7911 -0.256 0.538 9.60531 0.14645 4.3862651206 6.2988855552 0.139022764
+C      1.25225862     -0.43586064     -0.75745344
+N      2.59069754     -0.14320175     -0.28020942
+C      3.49393687      0.56897098     -1.00764041
+O      3.27380562      1.06756765     -2.11441478
+C      4.88334988      0.69694698     -0.34363827
+C      5.35410492      2.14497201     -0.34377266
+O      4.92711567      0.10332368      0.97133850
+H      1.10114744     -1.51870813     -0.88144945
+H      1.13579297      0.05456387     -1.73167405
+H      0.48998173     -0.04746120     -0.06571123
+H      2.94030237     -0.53994096      0.59035710
+H      5.56444446      0.09048643     -0.96428861
+H      4.71593916      2.75986236      0.31173774
+H      5.28267390      2.55751657     -1.35755158
+H      6.39385587      2.21181355      0.00323378
+H      4.82887298      0.82563861      1.61720678 
+
+14
+-1461.6167502231951 9.773982 10.72407 -9.2273 -7.23 -10.828 -0.0935 -1.973 -1.367 10.29319 1.71046 3.1298529896 7.5788426276 0.240959917
+C      1.06539215     -0.04149468     -0.74027617
+N      2.51638902     -0.06700745     -0.72741378
+C      3.23952090      0.34513353      0.34087794
+O      2.77462370      0.77300633      1.40034636
+C      4.76836451      0.22285530      0.09752909
+C      5.64179333      0.66185540      1.23488268
+O      5.18813848     -0.20558101     -0.96975532
+H      0.70743311     -0.47274445     -1.68111061
+H      0.68968862      0.98849785     -0.64835535
+H      0.66216381     -0.62197831      0.10191613
+H      3.05575338     -0.38719634     -1.53060570
+H      5.36448097      0.11807191      2.14920558
+H      5.45124693      1.72291045      1.45444793
+H      6.69496108      0.50187146      0.98425124 
+
+14
+-1454.855918642361 9.872592 10.75361 -9.5927 -7.5083 -10.964 0.8717 -1.1498 -0.48 10.34969 0.95463 3.6800036688 12.4661227756 0.20108348
+C      1.64933409     -0.91117897      0.07402438
+N      2.97041202     -0.30919737     -0.00940848
+C      3.19214992      1.01557241      0.25084071
+O      2.30859474      1.81073783      0.57060532
+C      4.64245884      1.47068663      0.07547192
+C      4.74529376      2.46612284     -1.06840639
+O      5.60339628      2.41883903     -1.92825342
+H      1.64160206     -1.74693668      0.78833397
+H      1.31482965     -1.27404881     -0.90911837
+H      0.95848396     -0.13383506      0.42073544
+H      3.75766629     -0.88497593     -0.29024809
+H      5.36442609      0.65911410     -0.08615603
+H      4.90702329      2.01118031      0.99890195
+H      3.96033898      3.26024968     -1.05960290 
+
+17
+-1627.5778311667568 11.319167 12.2248 -8.3264 -6.4087 -9.364 0.7596 -0.2028 1.066 8.70205 -0.45654 4.9341964504 5.904461292 0.194153669
+C      1.23625784      0.29283827      1.51591445
+N      2.36746447      1.03494218      2.06630439
+C      3.46538414      1.23352661      1.23607938
+O      4.47349904      2.02887161      1.74800530
+C      4.45083159      2.39045322      3.13550289
+N      3.55526315      0.68076463      0.08812021
+C      4.80172088      0.81038683     -0.65036743
+H      0.46907796      0.20340190      2.29556090
+H      1.57338906     -0.70915802      1.22496266
+H      0.80698230      0.77156619      0.62044851
+H      2.09869445      1.85368290      2.60817688
+H      5.43731255      2.82016317      3.34599424
+H      4.28017713      1.51415086      3.77717186
+H      3.68700432      3.15905368      3.34553812
+H      4.80953051      0.07403319     -1.46593605
+H      5.69738187      0.65114834     -0.02470433
+H      4.90086874      1.81166445     -1.10529197 
+
+16
+-1578.0558163056085 10.420917 11.58893 -9.2798 -7.2704 -10.47 0.8417 -0.0943 0.664 9.52582 0.00923999999998 4.413219677 12.478942928 0.148442164
+C      1.27042897      2.83639098      2.42402517
+N      2.00544413      1.73984478      1.82102727
+C      2.44606693      1.77114409      0.53384129
+O      2.28177451      2.70781982     -0.25049214
+C      3.19984500      0.52093563      0.08212081
+O      3.29387186     -0.44706453      1.12205015
+C      3.96284307     -1.62902655      0.69679450
+H      1.75305093      3.16529531      3.35568388
+H      0.22946023      2.55225382      2.64196828
+H      1.26828607      3.66627636      1.70705702
+H      2.20453361      0.89391143      2.35024394
+H      4.20333615      0.84162866     -0.25580001
+H      2.66744280      0.11116431     -0.79677445
+H      4.99438532     -1.40958517      0.36558687
+H      3.42113077     -2.12016738     -0.13231850
+H      3.99772964     -2.30806155      1.55763593 
+
+15
+-1469.9686789113184 10.462699 11.00124 -8.5428 -6.6264 -9.923 0.9991 -0.0835 0.364 9.23937 0.24264 4.2446979058 12.581851308 0.330094999
+C      0.83418084     -0.05041605      0.17122049
+N      2.14330193     -0.34366218     -0.39128349
+C      2.55487431     -1.64749467     -0.54539579
+O      1.81325690     -2.62567016     -0.51412330
+N      3.13306619      0.66589072     -0.10399116
+C      4.11924995      0.83412862     -1.20022038
+C      3.02513060      1.82224153     -1.03524975
+H      0.36808476      0.79308958     -0.35683790
+H      0.92543962      0.19851829      1.23998466
+H      0.22179396     -0.95046670      0.05090940
+H      3.64733823     -1.71602516     -0.73640287
+H      4.04279969      0.16059072     -2.05543432
+H      5.13057591      1.05144654     -0.85507110
+H      3.20715315      2.78773511     -0.56277468
+H      2.22245395      1.78919381     -1.77445983 
+
+15
+-1505.2896567958164 10.316922 11.27415 -9.2666 -7.2538 -10.512 0.903 0.0005 0.702 9.66998 -0.06451 4.6631010614 8.5881878564 0.152955318
+C      1.17497518      0.38866926     -0.55617063
+N      2.45033612      0.39865705      0.13491188
+C      3.64643121      0.32469645     -0.51268961
+O      3.78312900      0.23596515     -1.73051852
+N      4.72548853      0.36741252      0.45819604
+C      5.66638988     -0.78300113      0.32787350
+C      6.05934255      0.56302953     -0.14642259
+H      0.51005432     -0.38229705     -0.14159652
+H      1.37159153      0.16563685     -1.61099474
+H      0.67280657      1.36592564     -0.49081366
+H      2.49521265      0.54616417      1.13868638
+H      5.42934640     -1.52164125     -0.44165916
+H      6.03386115     -1.17198511      1.27900807
+H      6.72640567      1.18181519      0.45578479
+H      6.07836925      0.71586274     -1.22757522 
+
+17
+-1653.5966237018151 11.009493 11.96305 -8.6592 -6.7115 -9.929 0.6984 -0.253 0.793 9.47937 -0.15296 4.7068061264 12.7003075324 0.164531742
+C      1.40831312     -0.31257581     -0.58009607
+N      2.85404574     -0.12600013     -0.56795203
+C      3.34309879      1.15805554     -0.33456684
+O      2.59750213      2.14239381     -0.29628297
+N      4.72412332      1.25256844     -0.20943400
+C      5.61130137      0.10520901     -0.27825825
+C      5.29379866      2.51335743      0.23994194
+H      1.18583117     -1.31779975     -0.96039363
+H      0.95805769      0.42992465     -1.24856850
+H      0.95090573     -0.18996684      0.41590180
+H      3.39330575     -0.90107706     -0.19452213
+H      5.29723170     -0.58147906     -1.07629277
+H      5.67959397     -0.45216749      0.67666281
+H      6.62273294      0.45343259     -0.52879327
+H      4.49944375      3.26672819      0.22860117
+H      6.10550348      2.82986385     -0.43362747
+H      5.70030068      2.43042262      1.26343018 
+
+15
+-1522.3821212701469 11.619932 11.99558 -8.4162 -6.4264 -9.03 0.5847 -0.4061 0.427 8.50381 0.19604 4.7203825934 5.3437842014 0.301019909
+C      1.35771696     -0.09287801     -1.47114117
+N      2.51684188     -0.44300328     -0.66224651
+C      3.46804757      0.52337937     -0.37894667
+O      3.48997524      1.63382759     -0.90413115
+N      4.43313406      0.10140551      0.54308668
+C      5.47869560      0.92397342      0.95234000
+C      6.45967849      0.56134373      1.79418648
+H      0.96981172     -0.99420668     -1.96301655
+H      1.67908000      0.62428018     -2.23462324
+H      0.55184370      0.37381112     -0.88031156
+H      2.38890234     -1.18905747      0.01602556
+H      4.43637178     -0.86690405      0.85362186
+H      5.41693609      1.91911269      0.51031786
+H      6.51961393     -0.43677763      2.23224264
+H      7.23397063      1.27660352      2.06051577 
+
+13
+-1323.0406448571923 10.592256 10.93005 -9.372 -7.352 -10.808 0.5532 -1.3411 -0.143 9.98018 0.77859 3.6651253488 7.0226538302 0.571761236
+C      6.16959320      3.42328401     -0.39316025
+N      5.60637347      3.29289105      0.74651173
+N      4.68322866      2.17347317      0.74469170
+C      4.53175672      1.66696544      2.11473865
+C      3.47434614      2.56291432      1.55515695
+C      2.19099324      1.99321195      1.06809391
+O      1.10009513      2.48114054      1.30433853
+H      6.88914781      4.23863647     -0.50253288
+H      5.95820572      2.75815029     -1.24159024
+H      5.17370917      2.10944530      2.87895470
+H      4.36046588      0.59082817      2.17609686
+H      3.44734509      3.58660723      1.93345363
+H      2.30248977      1.05494207      0.46580671 
+
+13
+-1354.9925339222657 10.790464 10.67971 -9.0662 -7.2075 -9.53 0.5648 -1.1353 -0.017 8.87874 0.55632 4.3714115978 5.193897526 0.467144678
+C      1.35642000     -0.15133068      0.22232939
+N      2.56215152     -0.01555601     -0.21239854
+N      3.07733324      1.22548309     -0.25481202
+C      2.57035659      2.57843206      0.10317284
+C      3.95011075      3.12742417     -0.33581299
+C      4.34868522      1.66961478     -0.66518551
+O      5.32236655      1.09788562     -1.09302752
+H      0.95465398     -1.16473887      0.25246675
+H      0.72765482      0.68385696      0.55982761
+H      2.33526426      2.68333998      1.17236779
+H      1.71402064      2.89615539     -0.50955874
+H      3.93765594      3.78689175     -1.21173153
+H      4.55306649      3.57545175      0.46299249 
+
+15
+-1488.3070470601047 10.50185 11.16458 -9.2285 -7.218 -10.126 0.7184 -0.2504 0.669 9.6474 0.03296 4.460458343 11.9259157736 0.17073959
+C      2.93180868      0.04729336      1.79282439
+N      2.78670445      0.33692857      0.36276940
+N      3.10297177      1.64344802      0.02386836
+C      2.54557896      2.96738809      0.41951085
+C      3.63077911      3.59907064     -0.48416683
+C      4.11104485      2.15483411     -0.78984411
+O      4.98898338      1.64748221     -1.45323593
+H      2.61515907     -0.99065130      1.96091411
+H      2.33850210      0.70717401      2.45382929
+H      3.99190009      0.13125300      2.06725775
+H      1.84169331      0.11874308      0.03333878
+H      2.64193936      3.19000716      1.49263584
+H      1.50599050      3.12095558      0.09173888
+H      3.25527259      4.12928720     -1.36731115
+H      4.37941177      4.21004627      0.03348037 
+
+13
+-1334.2029641910012 10.490018 10.63451 -8.782 -6.8603 -9.597 0.6356 -1.238 0.172 9.8104 0.59912 3.7594662962 5.4511932732 0.337619129
+C      1.51308124     -0.07222447      0.50027115
+N      2.59139217      0.09821298     -0.18694562
+N      2.91676338      1.34727456     -0.59227239
+C      2.59851637      2.59647211      0.16277285
+C      4.02153512      3.06406712     -0.18656777
+O      4.63052687      4.09424049     -0.04641514
+C      4.34832779      1.68403708     -0.77899462
+H      1.25833784     -1.09533713      0.77625098
+H      0.83826940      0.74343321      0.79662220
+H      2.46474804      2.42220736      1.24816968
+H      1.76156154      3.19689872     -0.22238239
+H      4.69925085      1.66556807     -1.82140675
+H      5.03198938      1.09543989     -0.14282219 
+
+15
+-1456.5438196772166 11.021799 11.45603 -8.5654 -6.6037 -9.175 1.3043 -0.4304 0.504 8.5949 0.01479 4.8428559642 5.3114858484 0.359600739
+C      1.56256205      2.63652602      0.28313097
+N      2.62294730      2.13541455     -0.24674378
+N      3.31796660      1.19304803      0.44501856
+C      4.70720929      1.03935118      0.08935814
+C      5.82181969      1.81346164      0.84443007
+O      6.55574828      0.57679849      1.07596711
+C      5.42062240     -0.21612626      0.62546463
+H      0.98736881      3.34352568     -0.31428959
+H      1.20852247      2.37840079      1.29452797
+H      3.11898728      1.13696668      1.45404507
+H      4.77588080      1.15447073     -0.99898452
+H      5.47768012      2.27018303      1.79106776
+H      6.41471628      2.54415682      0.27342234
+H      5.71403274     -0.98593038     -0.10408658
+H      4.89288589     -0.69428701      1.47177186 
+
+15
+-1456.6835137480148 11.146274 11.83166 -8.5287 -6.5276 -9.191 1.5002 -0.2758 0.628 8.61735 -0.11631 4.8309781054 5.4057772014 0.391051771
+C      1.42476903      1.02917085      0.54190576
+N      2.70537383      0.90113925      0.57018753
+N      3.47434556      1.92991817      0.12179591
+C      4.80674123      1.55201421     -0.33667844
+C      5.69006272      2.76854508     -0.41348977
+C      6.72538074      2.90076928     -1.45020173
+O      5.48796271      3.62862575     -1.56363778
+H      0.82876104      0.22061272      0.96481143
+H      0.91177867      1.91345463      0.12887765
+H      3.00103882      2.60221274     -0.49690382
+H      4.78915084      1.04752691     -1.32197003
+H      5.20824081      0.84053119      0.40056843
+H      5.82072177      3.31781666      0.52678927
+H      6.86074507      2.09475816     -2.17979818
+H      7.60998718      3.51340441     -1.24878622 
+
+13
+-1320.4983717399348 11.408888 11.45765 -9.2221 -7.2568 -9.84 0.1225 -1.5863 -0.066 9.44009 0.69893 4.3522309636 5.7027608672 0.719141342
+C      1.43613519     -0.40110971     -0.26603559
+N      2.70578220     -0.28170715     -0.12336124
+N      3.16833957      1.01225851     -0.40373383
+C      4.22164994      1.31681255      0.27067045
+C      4.83602753      2.64239435      0.10100094
+C      5.49112899      3.31336505      1.24818751
+O      6.28129544      2.68266566      0.23631565
+H      1.00100623     -1.38590202     -0.08159515
+H      0.78895637      0.43987276     -0.55254321
+H      4.68472544      0.61536826      0.98200038
+H      4.42274348      3.25949993     -0.70295721
+H      5.49889754      2.82084665      2.22683151
+H      5.51827206      4.40800515      1.26006978 
+
+15
+-1459.8263532844715 11.77011 12.11741 -8.2521 -6.3248 -8.973 1.1342 -0.4584 0.461 8.42524 0.11566 4.815182289 5.1552262926 0.237217955
+C      2.42130501     -1.21515381     -0.79490696
+N      3.66461000     -0.59067666     -0.36622106
+N      3.71500537      0.75609161     -0.50962180
+C      4.53732876      1.43389729      0.21964146
+C      4.65824271      2.88572198      0.01700908
+C      5.13096047      3.78224954      1.09212075
+O      6.01479842      3.42972773      0.01833200
+H      2.56273161     -2.30375262     -0.80736618
+H      2.19514108     -0.87884987     -1.81435488
+H      1.56140192     -0.97101677     -0.14526889
+H      4.04461796     -0.95637184      0.51564234
+H      5.18529253      0.96516847      0.98195312
+H      4.00310665      3.29793822     -0.75737039
+H      5.38795333      3.35814641      2.07006653
+H      4.79077417      4.82397034      1.10370487 
+
+13
+-1339.0142249136302 11.413138 11.40342 -9.4094 -7.4028 -10.063 -0.1099 -1.9117 -0.648 10.11565 1.0457 3.6414192256 5.6114699754 0.679179374
+C      5.53054110     -0.89267644     -0.24344943
+N      5.33585281      0.22725938     -0.83909791
+N      4.65863580      1.14804902      0.00045988
+C      4.49388106      2.28111924     -0.58860215
+C      3.83397565      3.41724513      0.12561019
+C      4.87188096      4.38815933      0.69081575
+O      4.92107086      5.57004257      0.42238264
+H      6.04373264     -1.67831668     -0.80318269
+H      5.20171357     -1.07628189      0.78906602
+H      4.86984549      2.44069099     -1.61088167
+H      3.27220968      3.01389580      0.98364537
+H      3.16396334      3.97840513     -0.53942360
+H      5.60000705      3.91744841      1.39749759 
+
+13
+-1347.8368751861096 13.471336 11.86076 -8.4689 -6.7176 -8.913 -0.0202 -1.6547 -0.744 8.22933 1.41396 3.5269429518 4.2975531376 0.82520329
+C      2.12292443      0.61230235     -0.14343585
+N      3.33081890      0.58000272     -0.58641846
+N      4.30800295      1.06520284      0.21894942
+C      5.61149501      1.05324132     -0.18503108
+C      6.66708224      1.50863574      0.54211163
+C      8.00620829      1.43495829     -0.00942917
+O      9.02751131      1.81520262      0.55885795
+H      1.34361988      0.22136784     -0.79627881
+H      1.84682802      1.00874761      0.84605988
+H      4.06627180      1.43879677      1.14466552
+H      5.74683115      0.63003960     -1.18343943
+H      6.54997390      1.93496946      1.54161436
+H      8.05783212      0.98677283     -1.03829598 
+
+15
+-1476.279198908989 11.22663 11.7114 -8.6042 -6.6222 -9.369 1.249 -0.82 0. 8.80031 0.62593 3.6731348444 5.4156588856 0.384973318
+C      1.37244133      1.85725310     -0.27734177
+N      2.55387571      2.28608090     -0.55222443
+N      3.54623098      2.11356529      0.36278193
+C      4.90112839      2.10640246     -0.19078938
+C      5.25321716      3.46068178     -0.79540039
+C      6.65863158      3.55551152     -1.31970520
+O      7.49027178      2.66597878     -1.26217572
+H      0.58040349      2.05700792     -0.99892800
+H      1.12636597      1.31314113      0.64982995
+H      3.37626850      1.37018266      1.05226759
+H      5.03559486      1.31503322     -0.94941702
+H      5.58653908      1.87864578      0.63756398
+H      5.11434245      4.27102792     -0.05614429
+H      4.56013535      3.71187018     -1.61727173
+H      6.91399337      4.54306737     -1.78589552 
+
+15
+-1497.4586350817156 11.220506 11.29884 -8.9143 -7.0786 -9.583 0.7886 -0.9131 -0.117 8.91399 0.63823 4.2632462114 5.1436088044 0.46133042
+C      1.24771205      0.07595495      0.13776594
+N      2.63548283      0.51123826      0.04881613
+N      3.67254920     -0.35944292     -0.07892783
+C      3.43784763     -1.62603173     -0.12483917
+C      2.94336143      1.88516354      0.09577082
+C      4.40662848      2.24779200     -0.00368723
+O      2.04864283      2.71683454      0.21040094
+H      0.63658623      0.97832433      0.23257241
+H      1.10207054     -0.56929633      1.01755610
+H      0.95913353     -0.47863986     -0.76819974
+H      4.31086132     -2.27167139     -0.22718843
+H      2.44590404     -2.08882599     -0.06855193
+H      4.98733633      1.77460999      0.79814356
+H      4.47984902      3.33741983      0.06370794
+H      4.83514454      1.89571077     -0.95096952 
+
+17
+-1612.0798295704124 11.698943 12.15689 -8.4521 -6.4683 -9.101 1.3357 -0.2989 0.62 8.56416 0.00346000000002 4.7992128922 12.6052722634 0.222968774
+C      2.28927680     -1.16268958     -0.93277013
+N      3.60250737     -0.55378716     -0.75616974
+N      3.57528319      0.81066566     -0.63665699
+C      4.50422877      1.40539102      0.02880328
+C      4.57320628      2.90321605      0.11157114
+C      3.64965682      3.63261792     -0.86808908
+O      2.26923730      3.34546137     -0.65848223
+H      2.42832801     -2.23316606     -1.13297796
+H      1.80417748     -0.70739505     -1.80589449
+H      1.62380590     -1.04429967     -0.05821733
+H      4.17301424     -1.01784225     -0.03717641
+H      5.27621036      0.82179444      0.56548458
+H      5.61517195      3.22227872     -0.07070365
+H      4.33818159      3.21798190      1.14520490
+H      3.95325003      3.38188281     -1.90310572
+H      3.76521245      4.71942691     -0.74029861
+H      2.20528147      2.37547296     -0.78687156 
+
+17
+-1613.8991822110488 11.859601 12.37166 -8.1842 -6.2589 -8.822 0.9556 -0.2235 0.748 8.2714 -0.09348 4.8408349924 5.2431943596 0.194157255
+C      2.13627340     -1.06705956     -0.58205999
+N      3.42530458     -0.66784145     -0.03075543
+N      3.64595645      0.67885050     -0.04707689
+C      4.86612626      1.11190286      0.04863262
+C      6.07757864      0.22361972      0.14741103
+C      5.04313743      2.60291559      0.11040842
+O      5.60718117      3.04126924      1.36472731
+H      1.98541899     -2.13642466     -0.38389219
+H      2.04885020     -0.88570039     -1.66836314
+H      1.34742890     -0.50080513     -0.07130062
+H      4.20920142     -1.24907261     -0.34716582
+H      5.98916765     -0.48412749      0.98823300
+H      6.98431681      0.81990146      0.30271081
+H      6.21752963     -0.37766892     -0.76913570
+H      4.07170008      3.08394224     -0.09101584
+H      5.76680666      2.94213118     -0.64850411
+H      4.97928173      2.77242742      2.05992656 
+
+15
+-1489.6297495767785 12.121871 11.75192 -8.5069 -6.7095 -9.121 0.1397 -1.5486 -1.219 8.49661 1.68014 3.299639418 4.1384295052 0.397990779
+C      1.44570653     -0.43615516     -0.89673333
+N      2.87413679     -0.25263976     -0.70402540
+N      3.32535856      0.98200876     -0.51734975
+C      4.55961010      1.15350777     -0.10226968
+C      5.52717719      0.05761500      0.22325839
+C      4.95487888      2.55817393      0.02409298
+O      6.05845059      2.93898120      0.40946639
+H      1.27190494     -1.40556602     -1.38103449
+H      1.07858679      0.36254496     -1.55164365
+H      0.88510304     -0.40209670      0.05272878
+H      3.40979070     -1.04084070     -0.32776525
+H      5.15516661     -0.59611802      1.03079420
+H      6.47066075      0.50846964      0.55514679
+H      5.73145573     -0.57714021     -0.65465087
+H      4.14772280      3.27469531     -0.26247510 
+
+17
+-1614.0546146030422 11.923682 12.44248 -8.522 -6.5158 -9.097 1.2179 -0.331 0.622 8.56252 -0.00448 4.8332966436 5.3552529064 0.201503926
+C      3.67475064     -1.39054284     -0.19969622
+N      4.68319664     -0.39903104     -0.55687700
+N      4.21483279      0.88522312     -0.59198755
+C      5.00963888      1.87485921     -0.39743695
+C      4.47051651      3.27628829     -0.54614884
+C      5.28488417      4.08940579     -1.55850041
+O      3.09834625      3.26347668     -0.91840289
+H      4.11757720     -2.38916399     -0.31026950
+H      2.83346281     -1.30401642     -0.89899505
+H      3.29005214     -1.27895812      0.83003453
+H      5.56015807     -0.50421963     -0.03171749
+H      6.07481882      1.74753651     -0.13868616
+H      4.56328687      3.77349193      0.44374345
+H      5.24137255      3.61546104     -2.54920678
+H      6.33667087      4.17223443     -1.24599568
+H      4.86587590      5.10152127     -1.63576417
+H      2.85478887      2.31295377     -0.95977328 
+
+15
+-1489.8716288758226 12.190182 11.88876 -8.6247 -6.7918 -9.354 0.0595 -1.6053 -1.121 8.69889 1.56065 3.3172578286 4.3220775684 0.245287586
+C      2.18871816     -0.86246609      0.27031699
+N      3.45242338     -0.28519647     -0.15374457
+N      3.71569453      0.97259032      0.18996046
+C      4.93604286      1.41486583      0.09259052
+C      5.26064987      2.81365233      0.40613904
+C      4.14710597      3.73483190      0.86515796
+O      6.42818427      3.20119001      0.30308624
+H      1.96570307     -1.73450356     -0.35777779
+H      1.40101822     -0.11274062      0.13086570
+H      2.19819423     -1.17521280      1.32865400
+H      4.24462814     -0.92509254     -0.28691982
+H      5.77921569      0.77967712     -0.22632288
+H      3.82060138      3.44952331      1.87628686
+H      3.26692984      3.65390919      0.21423449
+H      4.52409040      4.76281207      0.88285280 
+
+15
+-1478.5474104117907 11.522586 11.9522 -8.3613 -6.3643 -9.031 1.1279 -0.8983 -0.223 8.48284 0.8715 3.6621496848 8.3520193236 0.196827438
+C      1.37862094     -0.38035524     -0.72375110
+N      2.82991858     -0.25077095     -0.69298225
+N      3.27941563      1.02310790     -0.51546515
+C      4.44447431      1.20371858      0.00327492
+C      4.99833758      2.58598325      0.11870264
+C      5.53647837      2.95434576      1.48415775
+O      5.58442088      2.21196097      2.44693734
+H      1.12567012     -1.40424307     -1.02881849
+H      0.98182118      0.31685512     -1.47217733
+H      0.89697102     -0.16490590      0.24714465
+H      3.29825683     -0.95479420     -0.10768929
+H      5.06050356      0.36489007      0.36907859
+H      4.23400826      3.32728761     -0.16953964
+H      5.83923109      2.75357927     -0.58593463
+H      5.92561165      4.00450083      1.55125198 
+
+15
+-1485.7431384250747 11.385857 11.30328 -8.5308 -6.6106 -9.181 1.13 -0.5664 -0.045 8.62061 0.6825 4.2772194336 5.0147005602 0.353640233
+C      1.08240365      1.87440171     -1.30993000
+N      1.58061408      1.93905945      0.07951788
+N      2.92073188      2.40001791      0.10992312
+C      3.15816729      3.77564345      0.22290817
+C      2.21590320      4.72160033      0.34217250
+C      3.93513315      1.46536236      0.16702699
+O      3.74368109      0.25343460      0.15255192
+H      0.06859048      1.45444304     -1.27528111
+H      1.71072323      1.25359884     -1.97035385
+H      1.01935079      2.89073153     -1.72023141
+H      1.65016614      0.97862239      0.43953919
+H      4.22191609      4.01906320      0.18478254
+H      1.15799606      4.47083810      0.39187499
+H      2.51572295      5.76443580      0.41449495
+H      4.93705990      1.93631730      0.25650412 
+
+17
+-1628.8181847053656 10.97298 11.73034 -8.935 -6.9908 -10.09 0.7342 -0.2562 0.618 9.45037 0.06684 4.334922518 12.364069899 0.174149764
+C      2.59547911     -0.68233880      0.56799466
+N      3.10305738      0.22140963     -0.47149510
+N      3.37559902      1.52142381     -0.00145178
+C      2.27980232      2.37575603      0.44060297
+C      4.67117380      2.01553896     -0.07423094
+C      5.72384044      1.06818475     -0.61699550
+O      4.93804295      3.16125227      0.29273780
+H      2.39491362     -1.65494581      0.09821611
+H      1.67107304     -0.34054787      1.06903071
+H      3.37418329     -0.82354384      1.33015337
+H      2.42336101      0.29332185     -1.23661912
+H      1.77311510      1.95626783      1.32233744
+H      1.54183535      2.50560935     -0.36860505
+H      2.70954491      3.34908426      0.70173275
+H      5.79101979      0.15213330     -0.01539408
+H      6.68142456      1.59808841     -0.59734085
+H      5.48598430      0.75609586     -1.64228340 
+
+17
+-1599.1517017417632 11.980115 12.35416 -8.3629 -6.3982 -8.98 1.3112 -0.3082 0.672 8.42797 -0.0829 4.8542254804 5.2833906208 0.194272471
+C      3.45749647     -1.74466871     -0.38644399
+N      4.42777761     -0.67381958     -0.56716141
+N      3.92043259      0.58365063     -0.48443698
+C      4.70795245      1.55635109     -0.16988917
+C      4.20759963      2.96851055     -0.17280258
+O      4.29963037      3.60184165      1.11312008
+C      3.34105656      3.09728873      2.03822825
+H      3.92517128     -2.69559946     -0.67381434
+H      2.60593095     -1.55697110     -1.05219711
+H      3.08147697     -1.82824733      0.64945578
+H      5.32036738     -0.81811131     -0.07681083
+H      5.76464658      1.38584116      0.10775672
+H      3.16804121      2.97963398     -0.54933931
+H      4.82860044      3.59508692     -0.83303585
+H      3.49008939      3.64705644      2.97629758
+H      3.47053679      2.01685176      2.22615939
+H      2.30882333      3.26636458      1.67742378 
+
+17
+-1612.4215300667372 11.488837 12.25796 -7.797 -5.8432 -9.031 0.8721 -0.0535 0.864 8.53574 -0.24497 4.9788686062 5.5395828926 0.157651743
+C      2.34154897     -0.97147868     -1.07221262
+N      3.76315320     -0.74039867     -0.82305049
+N      3.99175788      0.58150541     -0.41810160
+C      5.11934090      0.83510529      0.14349815
+C      6.21134088     -0.14097211      0.45758378
+O      5.43149834      2.11573852      0.51281412
+C      4.42945701      3.10556099      0.22946432
+H      2.21368173     -2.01645339     -1.38693084
+H      2.01429198     -0.31942831     -1.89270919
+H      1.69744728     -0.77548608     -0.19476490
+H      4.11692988     -1.41803459     -0.13729671
+H      5.91492977     -0.82596176      1.26878952
+H      7.11751616      0.38720269      0.77290310
+H      6.43229863     -0.75317864     -0.42961497
+H      4.84426047      4.05118770      0.59547501
+H      3.48797654      2.86613175      0.74564318
+H      4.22896038      3.16012989     -0.85045986 
+
+11
+-1191.237875725958 11.075826 10.84737 -9.3266 -7.5682 -10.008 0.1044 -1.6774 -0.525 9.64353 1.14121 3.8638625082 5.2870358092 0.474526151
+C      1.35796190     -0.45916704      0.27442076
+N      2.63175494     -0.59709528      0.36721076
+N      3.39580616      0.50255429      0.16288594
+C      4.78371058      0.48202589      0.23557687
+O      5.43747871      1.50403624      0.04317786
+C      5.38550380     -0.79693983      0.54609612
+C      6.02005051     -1.80012647      0.79741652
+H      0.74813179     -1.34718508      0.43997939
+H      0.86226002      0.49597535      0.04037515
+H      2.97959879      1.41658164     -0.05826205
+H      6.56412281     -2.69562973      1.02064268 
+
+15
+-1489.3349922364166 11.275602 11.51498 -9.0162 -7.1839 -9.997 0.5832 -1.088 -0.265 9.32376 0.82684 4.076411708 5.8431378164 0.31143204
+C      0.91950503     -0.13982024      0.03123052
+N      2.36863455     -0.15082112      0.15232695
+N      3.00649719     -1.34464924      0.54762067
+C      3.10717211      0.99922666     -0.11111970
+O      2.54429492      2.04329736     -0.45435237
+C      4.58785747      0.88756248      0.04619943
+C      5.36134317      1.95579287     -0.18592502
+H      0.61488499      0.86211285     -0.28982260
+H      0.44880907     -0.37636152      0.99968502
+H      0.58924440     -0.88273256     -0.71316589
+H      2.76335227     -2.08453095     -0.12118663
+H      2.63575423     -1.62932254      1.46165181
+H      5.00129098     -0.07254172      0.35105369
+H      4.90978030      2.90256507     -0.48975454
+H      6.44517933      1.90497261     -0.07817135 
+
+13
+-1328.8735867055652 10.900201 11.0808 -8.7631 -6.8876 -9.924 0.5527 -1.2133 -0.364 9.21679 0.92665 3.7751381266 10.8020074808 0.259361869
+C      0.83437638     -0.09623814     -0.14650368
+N      2.25964960     -0.00248604      0.11257307
+N      2.96590420     -1.23193045      0.05419319
+C      3.01529945      1.14371170      0.07849873
+O      4.25458710      1.11664093      0.13306755
+C      2.28702584      2.39291418     -0.02650721
+C      1.79018458      3.49894173     -0.10298682
+H      0.40697185      0.91176476     -0.14751000
+H      0.34450483     -0.68928407      0.64061947
+H      0.65774623     -0.58244460     -1.11726046
+H      2.92736247     -1.65104127      0.99334210
+H      3.94791369     -0.94369750     -0.07808120
+H      1.35265377      4.47439878     -0.17278474 
+
+15
+-1464.4457380107287 12.139609 12.14567 -8.0281 -6.0675 -9.113 1.3353 -0.308 0.567 8.67573 0.02627 4.9420943586 5.3949284264 0.23020574
+C      7.07663758     -0.19237589      1.15030226
+N      6.38513407      0.99858083      0.66198009
+N      5.23678434      0.68254690     -0.04724482
+C      4.26549035      1.50963106     -0.03081717
+O      3.12558792      1.35489942     -0.78057211
+C      3.08097599      0.32568431     -1.70477485
+C      1.93602623      0.02892260     -2.32394835
+H      8.00344946      0.12876342      1.64412537
+H      7.34011625     -0.82200062      0.29047506
+H      6.48008164     -0.79695837      1.85778316
+H      6.20976053      1.66882012      1.42225772
+H      4.20823167      2.43681632      0.55580046
+H      4.03164178     -0.18120030     -1.87123025
+H      1.00981605      0.55935400     -2.10460037
+H      1.92531614     -0.76129380     -3.07114621 
+
+15
+-1490.2433665297835 11.441585 11.62628 -8.7835 -6.8359 -10.073 0.3227 -1.3698 -0.452 9.52141 0.98604 4.0564623606 5.8675506598 0.316284969
+C      3.02574021      0.25458179      2.56428201
+N      2.58693533      1.17966814      1.50368771
+N      3.19926844      0.86434634      0.26927436
+C      4.18621664      1.69541781     -0.22494663
+O      4.68830336      2.58546205      0.47023499
+C      4.57130082      1.40321861     -1.63274167
+C      5.50630318      2.12883852     -2.25833690
+H      2.59547120      0.60796698      3.51127076
+H      4.12285741      0.19128581      2.66413686
+H      2.62653048     -0.74909118      2.36369924
+H      2.95350857      2.11682682      1.72250142
+H      2.58777579      0.39098364     -0.39421687
+H      4.07549419      0.56859073     -2.13808679
+H      5.99184711      2.95423324     -1.73415755
+H      5.80236728      1.91690070     -3.28552096 
+
+13
+-1328.2185302806208 10.897559 11.33348 -9.0648 -7.1068 -10.324 0.4832 -1.3193 -0.423 9.74987 0.95384 3.928310431 10.9048414692 0.399946742
+C      1.31764638     -0.08153246      0.06033265
+N      2.25808229      0.80212256      0.77528854
+N      3.06213540      1.53062133     -0.12777311
+C      4.36390645      1.14346688     -0.35138896
+O      4.82913990      0.07744624      0.06133943
+C      5.13698063      2.10798000     -1.11348917
+C      5.82284139      2.88062757     -1.75148681
+H      0.78656207     -0.67734497      0.81481670
+H      1.81127973     -0.75829842     -0.65703698
+H      0.57796075      0.53054665     -0.47278946
+H      2.92437034      0.21326443      1.29192785
+H      2.81802706      2.51320050     -0.24158299
+H      6.43798760      3.55560968     -2.31205768 
+
+16
+-1578.2817409364673 11.414065 12.14252 -9.2162 -7.2301 -10.673 1.4097 -0.4808 0.357 10.2209 0.16996 5.3211319592 6.524081327 0.423793459
+C      1.43649081      2.05729444      1.14724276
+N      2.58082426      2.11312537      0.57328807
+O      3.29920457      0.91589429      0.74285688
+C      4.60728174      1.05644890      0.17244567
+C      5.75120560      1.61282535      1.05427203
+C      6.65862912      0.50171224      0.45534312
+C      5.37199368     -0.27305499      0.05018589
+H      0.80956600      2.94393517      1.04955289
+H      1.08424616      1.18227961      1.70598119
+H      4.52086110      1.59329906     -0.78422947
+H      5.53323223      1.42289129      2.11516523
+H      6.03971406      2.66341650      0.92105910
+H      7.21506375      0.85644591     -0.42339672
+H      7.35686303     -0.00292127      1.13481436
+H      5.34384858     -0.79646581     -0.91442617
+H      5.05748532     -0.96208606      0.84739519 
+
+15
+-1443.2775848549456 10.887945 11.3986 -8.8283 -6.6499 -10.139 1.2635 -0.6269 0.28 9.55122 0.24518 5.3418004254 6.5287803964 0.405733908
+C      1.77465074      1.65719417      1.16143036
+N      2.91257627      1.87545370      0.61464172
+O      3.67441651      0.69335723      0.53068951
+C      4.96714822      0.99858331     -0.00279904
+C      6.10306056      1.39923371      0.96405549
+N      7.00365805      0.36420817      0.34321657
+C      5.80631168     -0.24365448     -0.33817158
+H      1.11625257      2.52145521      1.25342978
+H      1.45764108      0.67148100      1.52127819
+H      4.85417119      1.69870465     -0.84404757
+H      5.87310435      1.13571341      2.00846956
+H      6.46210007      2.43674662      0.92108231
+H      7.59184586      0.81649198     -0.36176930
+H      5.93090049     -0.49970500     -1.39943387
+H      5.46465237     -1.13566369      0.21019786 
+
+14
+-1375.6238523981426 10.099094 10.70902 -9.6704 -7.4187 -10.945 1.1366 -0.7793 0.158 10.51975 0.36312 5.3800253092 6.5890251938 0.422831453
+C      1.38842177      2.41323674      0.58067052
+N      2.58844344      2.40548119      0.13330898
+O      3.17464791      1.12805214      0.27224154
+C      4.53406852      1.19142713     -0.16240352
+C      5.59491513      1.59892543      0.87799125
+O      6.29574528      0.33065082      0.69949186
+C      5.21261887     -0.18308360     -0.12950883
+H      0.85652570      3.36133206      0.50043891
+H      0.90329211      1.53385544      1.01945060
+H      4.59052199      1.73179060     -1.11665434
+H      5.18393719      1.70719160      1.89573881
+H      6.23529152      2.45893877      0.63095944
+H      5.57858685     -0.58335528     -1.08676972
+H      4.61329371     -0.94585304      0.39569452 
+
+16
+-1574.4184881907902 11.513008 12.41364 -9.3741 -7.3051 -10.799 1.4456 -0.4565 0.339 10.36016 0.17945 5.319805309 6.5897443126 0.459468291
+C      1.14714600      1.52735398      0.35056896
+N      2.27242847      1.16676506     -0.14600474
+O      3.25597917      2.14759101      0.04691956
+C      4.50753188      1.67043206     -0.50610938
+C      5.51124922      2.78021501     -0.40874261
+C      6.24718923      3.01694775      0.88944625
+C      6.97638571      2.42139581     -0.28915318
+H      0.32563386      0.81961950      0.23869888
+H      0.99371254      2.48560078      0.86073103
+H      4.33714345      1.36568448     -1.55153416
+H      4.84177980      0.78673121      0.06513441
+H      5.27539193      3.66532381     -1.00428406
+H      6.00860938      2.35954102      1.72675281
+H      6.46946878      4.04669454      1.16906889
+H      7.69510056      3.04161574     -0.82451070
+H      7.23757003      1.36282824     -0.24561196 
+
+15
+-1442.6805226172676 10.969269 11.71892 -9.4635 -7.3395 -10.852 1.394 -0.5238 0.277 10.45211 0.23805 5.3368037896 6.6110327088 0.461314338
+C      1.12505984      0.66163413     -0.68688682
+N      2.34718917      0.39841532     -0.40514626
+O      3.10567261      1.57266772     -0.27484943
+C      4.45810363      1.21692698      0.08637028
+C      5.27509394      2.48000933      0.06668668
+C      5.36129427      3.36320969      1.26081958
+N      6.47369462      2.44500315      0.93328970
+H      0.46751277     -0.19910991     -0.80935755
+H      0.74033928      1.68163189     -0.80318662
+H      4.84457339      0.47990482     -0.63612832
+H      4.47911595      0.76897155      1.09288368
+H      5.36080377      2.96500115     -0.91087378
+H      4.80492022      3.09830395      2.16318696
+H      5.49050550      4.43470343      1.09180015
+H      7.23282105      2.96649679      0.48498174 
+
+14
+-1373.924000489326 10.24068 11.0304 -9.7029 -7.6085 -11.051 1.2572 -0.6847 0.154 10.63064 0.36057 5.3696972754 6.6533739278 0.4716735
+C      1.09278880      1.60043790      0.18621956
+N      2.21974130      1.06859635     -0.11026210
+O      3.28288282      1.95646375      0.14155591
+C      4.52694269      1.28786869     -0.14493475
+C      5.60416954      2.34201945     -0.12963860
+C      6.35471466      2.64602293      1.09938479
+O      6.94159236      1.84102899      0.05624429
+H      0.21343129      0.97940698      0.01442396
+H      0.99225292      2.61543326      0.58778506
+H      4.46281433      0.80411747     -1.13225688
+H      4.73750202      0.51826777      0.61583905
+H      5.51285876      3.12755196     -0.88927982
+H      6.10844188      2.10726767      2.02053850
+H      6.79925663      3.63818683      1.22581104 
+
+14
+-1419.7392074496288 11.646849 12.52493 -9.6385 -7.5661 -9.856 1.2774 -0.6497 0.252 9.47203 0.26946 4.3773133314 10.7165811268 0.742284671
+C      1.04950232     -0.04000368     -0.15752222
+N      2.31899533     -0.08384937      0.00808738
+O      2.87667362      1.20672626      0.01610288
+C      4.30059807      1.09453894      0.20400184
+C      4.84548072      2.52476540      0.20401238
+C      6.29019160      2.55085863      0.38580415
+C      7.49340105      2.54904631      0.54302313
+H      0.53744513     -1.00201573     -0.17551438
+H      0.48943855      0.89479715     -0.27608161
+H      4.74111321      0.50517060     -0.61473583
+H      4.51351334      0.59161717      1.15970064
+H      4.35592717      3.09951592      1.00705381
+H      4.57768177      3.01460956     -0.74639181
+H      8.55560812      2.55661284      0.67788964 
+
+13
+-1330.732823741856 10.22012 10.82617 -9.9639 -7.9238 -11.105 1.0318 -0.9153 0.091 10.70902 0.42496 5.3906757066 6.6713023034 0.419421786
+C      1.00745145      1.10801388      1.03004634
+N      2.27733709      1.20443390      1.15849910
+O      2.93391661      0.91447788     -0.05896573
+C      4.34156464      1.09241169      0.12661921
+C      4.74215749      2.57232621      0.23925315
+C      4.49249033      3.33336660     -0.98055359
+N      4.30029974      3.93368939     -1.96176491
+H      0.42142858      1.30225887      1.92843234
+H      0.51706314      0.84691381      0.08572954
+H      4.79924690      0.62583097     -0.75543546
+H      4.66756837      0.56287715      1.03457480
+H      5.81410838      2.63937899      0.48343448
+H      4.18572726      3.02915066      1.07159073 
+
+14
+-1394.0593240735739 10.304383 10.83323 -9.5424 -7.344 -10.867 1.0701 -0.9566 -0.033 10.00412 0.55049 3.68052441 6.6670867794 0.46148468
+C      2.80313175      0.78531127      2.10456793
+N      3.71774369      1.49264166      1.55396173
+O      3.91253618      1.11916000      0.20868617
+C      4.95140078      1.94290514     -0.35570363
+C      4.48562747      3.37284085     -0.65015257
+C      3.43392220      3.45148811     -1.73034903
+O      3.45293233      4.25016449     -2.65022766
+H      2.59749936      1.00336928      3.15262226
+H      2.25019803     -0.00022114      1.57677539
+H      5.24082083      1.41407682     -1.27524629
+H      5.81339420      1.96004160      0.32800198
+H      5.33692899      4.00807076     -0.93512542
+H      4.05512488      3.78035876      0.28146889
+H      2.60091930      2.70851243     -1.63771975 
+
+15
+-1458.9386843405603 11.238367 11.46124 -8.9206 -6.9908 -9.691 0.5497 -1.1011 0.016 9.08119 0.44965 4.638130281 5.625740764 0.308374116
+C      2.44906036     -1.11018406      0.90228936
+N      2.11909458      0.02557591      0.03553006
+O      0.79914725      0.46745753      0.40337600
+C      3.03502475      1.12537480      0.01390064
+N      2.72076379      2.36075547      0.16714440
+C      4.41987283      0.72053885     -0.33507750
+C      5.48032999      1.50231785     -0.09452876
+H      3.48702951     -1.40978805      0.71947947
+H      1.78627067     -1.94990196      0.66085282
+H      2.33742734     -0.84848647      1.96817772
+H      0.30699575      0.39261880     -0.43605953
+H      1.72740173      2.42353824      0.43180681
+H      4.54843416     -0.24839802     -0.82402515
+H      5.34980398      2.47273171      0.38700359
+H      6.48494331      1.19437941     -0.38434993 
+
+13
+-1296.6098966657996 10.904631 11.25862 -9.0299 -7.1662 -9.888 0.5758 -1.1379 0.008 9.25896 0.50795 4.076969645 11.6519191122 0.187056186
+C      0.90697078      0.02082679      0.14910118
+N      2.36223644      0.01944848      0.19261161
+O      2.87167436     -1.15534880     -0.46367377
+C      3.04486945      1.19654274     -0.18399331
+N      2.54654873      2.38505605     -0.26241723
+C      4.46158294      1.01906309     -0.37911625
+C      5.65892894      0.90993417     -0.54255580
+H      0.52582372      0.76228289      0.86350627
+H      0.56230084     -0.96815160      0.46892527
+H      0.51016580      0.23635249     -0.85880906
+H      3.36134320     -1.61188961      0.24724120
+H      1.52683749      2.37202996     -0.13643559
+H      6.71562732      0.82304337     -0.69381454 
+
+10
+-1105.6390155589654 10.085793 10.19239 -10.481 -8.4396 -10.932 0.0299 -1.8685 -0.61 10.22986 1.18259 3.8875314356 11.0990903354 0.348076141
+C      1.79192828      2.42249029     -1.56172850
+N      2.56686625      1.86967974     -0.71053976
+O      3.74297609      2.68661174     -0.56654060
+C      4.64069541      2.15370055      0.34941386
+O      4.50851766      1.13269833      0.97994362
+C      5.78137538      3.03830949      0.42580492
+C      6.77450180      3.72277550      0.55696030
+H      0.85919130      1.89067990     -1.75628389
+H      2.01641920      3.36267891     -2.07753402
+H      7.65056864      4.32942555      0.67061406 
+
+14
+-1407.0647657997797 10.607168 10.91513 -9.1535 -7.2809 -10.339 0.3465 -1.3835 -0.48 9.56277 1.05431 3.999974339 5.6939206654 0.4254464
+C      2.40269100     -0.42289153     -1.71265538
+N      2.59693279      0.29297963     -0.46245558
+O      1.75685464     -0.18245243      0.58425233
+C      3.84617748      0.80371741     -0.11166436
+O      4.71164881      0.96101019     -0.97626217
+C      4.02473905      1.19524154      1.31556519
+C      5.17847192      1.74851041      1.71134084
+H      3.19119167     -0.09470787     -2.39779283
+H      1.41710708     -0.18421473     -2.13548177
+H      2.47727427     -1.50910983     -1.54964041
+H      0.98952419      0.42330933      0.56221995
+H      3.21285279      1.00371861      2.01581523
+H      5.97985337      1.91665777      0.98925935
+H      5.34230095      2.03723149      2.74955960 
+
+12
+-1249.5625816942404 10.299167 10.50179 -8.8086 -6.9702 -10.309 0.4027 -1.3931 -0.644 9.56753 1.19943 3.8708305214 10.8977866658 0.543774651
+C      0.71916836     -0.09328545      0.13777026
+N      2.15249855      0.01563233      0.05926066
+O      2.83233013     -1.19618287      0.15626496
+C      2.96829769      1.09392134     -0.09496705
+O      4.20550502      0.91944595     -0.13487921
+C      2.33296287      2.38162673     -0.20314511
+C      1.88431527      3.50570124     -0.30374846
+H      0.30183164      0.91529143      0.05166902
+H      0.42539723     -0.53470078      1.10134646
+H      0.34153043     -0.72113411     -0.68219979
+H      3.77220655     -0.85207152      0.07575485
+H      1.49219627      4.49883569     -0.39238659 
+
+18
+-1734.9485162864619 11.478924 12.94749 -9.3041 -6.9805 -10.627 0.9159 -0.0243 3.195 10.0016 -2.92147 8.6670925468 10.9935534522 0.165081423
+C      1.92653382     -0.49512934     -1.07306759
+O      1.77379292      0.59323417     -0.16334068
+C      2.96538659      1.32270265     -0.01797330
+C      3.31070172      2.40255379     -1.02099735
+C      2.83362097      2.75521005      0.38396866
+C      3.77985531      3.36996938      1.38798583
+N      3.82835006      4.83006781      1.21440900
+H      0.95539758     -1.00295023     -1.12733315
+H      2.69011509     -1.21241966     -0.71877276
+H      2.21316530     -0.14288142     -2.08022110
+H      3.79924656      0.74292916      0.40241831
+H      2.60765845      2.56512276     -1.83859165
+H      4.36341855      2.55278792     -1.27126001
+H      1.80531188      3.12090614      0.43786891
+H      4.76733819      2.86880722      1.30078000
+H      3.41030127      3.16530576      2.40679891
+H      4.19726740      5.05022525      0.28517231
+H      4.47605835      5.24277858      1.88935565 
+
+18
+-1736.5533477604615 11.484093 12.65218 -8.6997 -6.5747 -9.884 0.8905 -0.0414 3.151 9.46486 -2.84936 7.853149254 12.9044504814 0.166406963
+C      2.00947970     -0.45670499     -1.05390333
+O      1.80520769      0.64443593     -0.16861630
+C      2.99916274      1.33621205      0.09352105
+C      3.51948694      2.34978916     -0.91757176
+C      2.94215315      2.81765905      0.40211134
+C      1.59914416      3.51374860      0.40744424
+N      3.87488517      3.40588285      1.35147950
+H      1.02934357     -0.92333843     -1.21458865
+H      2.69775808     -1.20261968     -0.61523815
+H      2.42131418     -0.12341752     -2.02329604
+H      3.75020457      0.74708751      0.64032931
+H      2.90686444      2.51630413     -1.80530175
+H      4.59677815      2.42777615     -1.08030249
+H      0.89918548      3.02785550     -0.28232454
+H      1.72302333      4.56892046      0.12603006
+H      1.15163239      3.47771243      1.41348853
+H      4.79715409      2.97284106      1.26759423
+H      3.55275219      3.22620576      2.30790474 
+
+14
+-1472.6826709776824 10.390657 11.71533 -10.1827 -8.0162 -11.081 0.8052 -0.1744 1.364 10.68581 -0.9848 5.2882880678 10.6475705192 0.360891582
+C      2.43150964     -0.87642750     -0.87534865
+O      2.02477085      0.34337468     -0.24550163
+C      3.10985660      1.18571327      0.00307437
+C      3.57670015      2.13511975     -1.06465878
+C      2.76192820      2.65299003      0.12545336
+C      3.38962241      3.45247100      1.13734215
+N      3.91398729      4.09926584      1.95701269
+H      1.52139945     -1.46855259     -1.02493864
+H      3.13181146     -1.44098134     -0.23512434
+H      2.91128770     -0.68455972     -1.85057880
+H      3.86056759      0.79272058      0.69987825
+H      3.04680852      2.12007802     -2.01668675
+H      4.63260558      2.40008826     -1.10524325
+H      1.71777455      2.89582970     -0.07913999 
+
+18
+-1742.2137313517717 11.358379 12.59056 -8.9539 -6.8033 -10.205 0.928 0.0226 2.925 9.61495 -2.66998 8.2429860352 11.510364296 0.099512997
+C      2.06636481     -0.47128012     -1.34972182
+O      2.27720753      0.06776039     -0.04930643
+C      3.03311255      1.26207410     -0.07471601
+C      2.38239077      2.59869267     -0.53187399
+C      3.16304132      3.29065775      0.61946230
+C      3.29099777      1.90830881      1.31130805
+N      4.46757023      1.64968014      2.11999381
+H      1.49518837     -1.40027092     -1.22646282
+H      3.02609382     -0.70040559     -1.85108200
+H      1.49143401      0.22130431     -1.99109089
+H      3.99401855      1.09858755     -0.60905045
+H      1.30130961      2.58236636     -0.33079443
+H      2.56095954      2.94396244     -1.55791729
+H      4.14654679      3.65085512      0.28074579
+H      2.66641134      4.09358183      1.17794341
+H      2.39642397      1.72712785      1.92979005
+H      5.31150012      1.68133549      1.54158032
+H      4.42232889      0.71359180      2.52922241 
+
+18
+-1736.2943731465218 11.310779 12.45678 -8.6579 -6.5086 -9.816 0.8575 -0.0939 2.94 9.40206 -2.57789 7.8206401248 11.1493542598 0.0981496
+C      1.90368805     -0.64868972     -1.17853106
+O      1.70659009      0.44523056     -0.28285522
+C      2.90874501      1.09298307      0.09843509
+C      3.77144714      0.32059993      1.06842003
+C      3.53873950      2.01204260     -0.93871049
+C      2.75263301      2.59930243      0.21057153
+N      3.40073575      3.45057982      1.18127321
+H      2.46904251     -0.33935658     -2.07584002
+H      0.90504298     -0.98813187     -1.48179550
+H      2.43302859     -1.49038699     -0.69843242
+H      4.60904453      0.93283402      1.42897961
+H      4.20100345     -0.58113895      0.60740174
+H      3.17460999      0.01206683      1.94035873
+H      3.09201041      2.05296893     -1.93270990
+H      4.62570769      2.12473657     -0.92207232
+H      1.74747753      2.94086046     -0.05392681
+H      4.40126589      3.25423345      1.23745782
+H      3.00996789      3.30076544      2.11503598 
+
+18
+-1734.8405312822476 11.403875 12.71954 -8.6549 -6.4995 -9.937 0.9033 -0.0087 3.185 9.49825 -2.8702 8.0193648856 9.8155624662 0.149791053
+C      2.28626222     -0.76508556     -0.94108512
+O      1.94555886      0.41808063     -0.21673829
+C      3.05402534      1.26146941     -0.03481534
+C      3.41092876      2.31325311     -1.08907041
+C      2.63959680      2.44095311     -2.38397726
+C      2.77661828      2.72066646      0.22110353
+N      3.49751896      3.54632287      1.16762220
+H      1.36743976     -1.35811931     -1.03343115
+H      3.04610800     -1.35924840     -0.40031304
+H      2.67348438     -0.52922415     -1.94769761
+H      3.89167981      0.79957554      0.50781849
+H      4.48393818      2.52151152     -1.16627863
+H      1.60907398      2.08009491     -2.26105528
+H      3.10750685      1.85699595     -3.19114396
+H      2.59484797      3.49041060     -2.71152190
+H      1.71697011      2.98505249      0.14177251
+H      4.50410450      3.38857700      1.08359891
+H      3.23983724      3.29454384      2.12624233 
+
+14
+-1496.680020032158 10.874352 11.24921 -7.3614 -5.4524 -7.806 0.6859 -0.2612 1.016 7.33788 -0.44573 4.6176229966 6.3164543714 0.448806559
+C      3.20042445     -1.10783796      0.50306379
+O      2.39702139      0.04697948      0.27568391
+C      3.05487895      1.23775263      0.16019427
+C      2.49501249      2.48478597     -0.05083023
+C      3.57663249      3.41565145     -0.10208350
+C      4.75511491      2.72163391      0.07680147
+N      4.42523648      1.37893895      0.23795927
+H      2.50509878     -1.95165128      0.57078642
+H      3.76249618     -1.03196296      1.45073190
+H      3.89899975     -1.28839721     -0.33317802
+H      1.43458081      2.68752116     -0.15377600
+H      3.49298044      4.48748793     -0.25513166
+H      5.78874968      3.04644989      0.10588490
+H      5.09076320      0.63100803      0.38721350 
+
+18
+-1750.3927743057702 11.178233 12.20749 -8.6594 -6.4843 -10.084 0.8996 -0.0413 3.076 9.34692 -2.77417 8.2442506924 12.6739357102 0.144489662
+C      1.72544408     -0.20519059     -1.39109655
+O      2.12517699      0.28854241     -0.12129938
+C      3.08180803      1.34858432     -0.22212881
+C      2.48145120      2.68348862     -0.74780747
+C      2.94239802      3.72907031      0.27589070
+N      2.92646968      2.95700613      1.52321887
+C      3.59768259      1.69280201      1.18975139
+H      1.05155808     -1.05205939     -1.20765440
+H      2.59606976     -0.55689337     -1.97895367
+H      1.18629054      0.55439571     -1.98728168
+H      3.91349296      1.00399125     -0.86710762
+H      1.38529425      2.59575630     -0.71721227
+H      2.78887888      2.92652919     -1.77354888
+H      3.95397475      4.10543273      0.00303020
+H      2.26485120      4.59329555      0.33991136
+H      3.39525509      3.44711860      2.28665424
+H      4.70359145      1.78535242      1.15255277
+H      3.33782243      0.89603783      1.90053120 
+
+16
+-1609.9108714010838 11.038829 11.71508 -8.3266 -6.1647 -8.606 0.8291 -0.1056 1.357 8.12542 -0.74763 5.6228518902 5.6228518902 0.208424133
+C      0.98719483      0.10525305     -0.25350345
+O      2.40023327      0.04365867     -0.02188941
+C      3.08009861      1.22648228     -0.11470283
+C      4.39939407      1.33245108     -0.34667695
+C      4.82584140      2.76663689     -0.17457197
+N      3.55930229      3.54978956     -0.08678877
+C      2.48217392      2.58442320      0.21657846
+H      0.61700039     -0.91856635     -0.12677713
+H      0.76417661      0.44550283     -1.27812572
+H      0.48070204      0.76180533      0.47151215
+H      5.07603008      0.49885233     -0.52584796
+H      5.41511311      2.90102836      0.75397602
+H      5.45054115      3.14763413     -0.99867478
+H      3.37438155      3.93254569     -1.01533105
+H      1.57117602      2.82734886     -0.35185041
+H      2.20897067      2.62261408      1.29027380 
+
+18
+-1732.6528015117456 11.095851 12.1149 -8.5906 -6.4821 -10.134 0.8634 -0.0925 2.824 9.55557 -2.4926 8.0450671834 11.4210571802 0.11762834
+C      1.59118243     -0.57783469     -0.95579710
+O      2.21815515     -0.00661788      0.18748564
+C      3.01933299      1.14347802     -0.08804865
+C      4.22156972      0.82978554     -0.97461105
+C      2.26098107      2.44757006     -0.48861717
+N      2.86956085      3.18332364      0.66966931
+C      3.38725288      1.88487794      1.21818923
+H      0.89789762     -1.34205443     -0.58192682
+H      2.31359927     -1.06103895     -1.63706621
+H      1.01417030      0.17350151     -1.52599674
+H      4.86341995      1.71816357     -1.06814343
+H      3.91905961      0.53491514     -1.98984690
+H      4.81775093      0.01758430     -0.53337880
+H      1.17006505      2.35843994     -0.36226818
+H      2.47817088      2.86648840     -1.48301377
+H      3.65020544      3.75661559      0.34143001
+H      4.44920283      1.87570551      1.50608430
+H      2.77544303      1.54290677      2.06669633 
+
+18
+-1739.1377978440464 11.307142 12.47133 -9.0705 -6.8627 -10.404 0.9057 -0.0429 2.978 9.82421 -2.74232 8.4219598262 11.4022609026 0.095459162
+C      1.90772567     -0.49146369     -1.23107234
+O      2.16964763      0.07772474      0.04637149
+C      3.04296993      1.19040033     -0.03127457
+C      2.48854716      2.55010697     -0.55237012
+C      3.19941135      3.25558452      0.63862136
+N      4.41876980      3.95313442      0.22636748
+C      3.33320070      1.85307249      1.32827894
+H      1.25109207     -1.35587581     -1.06997425
+H      2.84072055     -0.83233710     -1.71990223
+H      1.40067283      0.22432394     -1.90407938
+H      3.96852421      0.89654092     -0.56705181
+H      1.39419465      2.58354256     -0.45161347
+H      2.77736067      2.89032330     -1.55660894
+H      2.57936675      3.97739531      1.18956442
+H      5.03973618      3.31719842     -0.28258781
+H      4.94070076      4.25960071      1.05229507
+H      4.28516121      1.61690602      1.82464954
+H      2.50104788      1.65696195      2.02071662 
+
+14
+-1497.3696740358077 10.86024 11.20996 -7.5396 -5.6045 -7.938 0.8616 -0.019 0.959 7.41894 -0.39461 4.7019954696 6.1106996044 0.393381521
+C      3.04460306     -1.16482979      0.51408193
+O      2.30896734      0.03724660      0.30018306
+C      3.07225639      1.17038261      0.17913953
+C      2.51672535      2.42537354     -0.03230284
+N      3.57001203      3.31848133     -0.10271999
+C      4.76385457      2.66330337      0.05756135
+C      4.49057398      1.31368337      0.23686324
+H      2.30189361     -1.96767174      0.58879343
+H      3.62792447     -1.11890549      1.44982167
+H      3.72605603     -1.37520131     -0.32815491
+H      1.48356794      2.73425584     -0.13381220
+H      3.46858556      4.31471505     -0.25177994
+H      5.70874613      3.19473549      0.03311814
+H      5.23066352      0.53562112      0.38970756 
+
+13
+-1370.438330851958 9.989353 10.38708 -8.4034 -6.501 -9.217 0.8373 -0.0404 0.408 8.64523 0.07394 5.0739782668 6.6041266886 0.230934266
+C      3.07035852     -1.19114714      0.51719636
+O      2.34476457      0.01835675      0.29214889
+C      3.11218192      1.13198629      0.16110411
+N      2.48350904      2.29460802     -0.05139095
+N      3.50164334      3.18963088     -0.13569273
+C      4.73076139      2.63408166      0.01486290
+C      4.52497807      1.27538262      0.21364837
+H      2.31756882     -1.98268118      0.59940226
+H      3.65245806     -1.14169007      1.45250906
+H      3.74660471     -1.41582220     -0.32442400
+H      3.27579161      4.16431545     -0.29773953
+H      5.63994489      3.22541070     -0.02826495
+H      5.28468506      0.51894821      0.37037023 
+
+12
+-1282.7705527843784 9.345208 9.83697 -8.8125 -6.8267 -9.224 1.5373 -0.1872 -0.241 8.60396 0.78967 4.5935325168 12.4499550012 0.419846912
+C      3.27110539     -1.04995762      0.52959125
+O      2.42079916      0.08620478      0.24682247
+C      3.02006260      1.27763242      0.16964925
+C      2.47850139      2.51568206     -0.08188257
+C      3.61036653      3.36424418     -0.03337993
+N      4.74381687      2.73375116      0.22069789
+O      4.35457044      1.35876099      0.35454675
+H      2.59689690     -1.91141571      0.54988375
+H      3.76700700     -0.92941211      1.50206637
+H      4.02614528     -1.17365117     -0.25829285
+H      1.44039881      2.75945323     -0.26844298
+H      3.64955963      4.44245780     -0.17745938 
+
+14
+-1402.175224166114 9.550289 10.14943 -9.5219 -7.4784 -10.554 1.4493 -0.3975 0.41 10.12146 0.16777 5.4794124868 6.3987810754 0.201585701
+C      2.95441060     -1.06450295     -0.41878486
+O      2.38745253      0.20390718     -0.10248460
+C      3.35430417      1.23786980     -0.05464243
+C      3.60533431      1.89207027     -1.42371410
+C      2.77288014      3.13001945     -1.27421171
+N      2.34850358      3.34191854     -0.08122203
+O      2.80229505      2.28958058      0.75685223
+H      2.14199493     -1.79716752     -0.34640691
+H      3.75296392     -1.33635122      0.29614539
+H      3.37058258     -1.09625822     -1.44269722
+H      4.26743970      0.87582478      0.45115428
+H      3.27981677      1.24444999     -2.24985655
+H      4.66446633      2.14863168     -1.58391574
+H      2.51864537      3.84416763     -2.05663575 
+
+12
+-1279.7437274267972 9.201529 9.6801 -9.2701 -7.3337 -9.746 1.1261 -0.6012 -0.259 9.11352 0.73391 5.0802891542 6.7241575352 0.313911934
+C      3.09468470     -1.18396807      0.53668476
+O      2.35865922      0.01077833      0.24478889
+C      3.09772921      1.13290254      0.11020170
+N      2.45732655      2.26282208     -0.16080512
+O      3.47550880      3.23419754     -0.24052447
+C      4.66831335      2.64581361     -0.01530762
+C      4.51350736      1.31099557      0.21580310
+H      2.34763660     -1.98106125      0.61072845
+H      3.63220611     -1.09607590      1.49398467
+H      3.80434289     -1.42135733     -0.27146215
+H      5.53460731      3.30007167     -0.05131415
+H      5.28451790      0.57970119      0.42598193 
+
+18
+-1734.4069548104521 11.303259 12.56096 -8.6576 -6.5324 -10.14 0.8806 -0.029 2.985 9.55881 -2.71271 8.1147349168 11.512596044 0.122453019
+C      2.02879564     -0.48170984     -1.37943260
+O      2.19979590      0.05712331     -0.07298333
+C      3.00685123      1.21826174     -0.07082877
+C      2.42108972      2.58287844     -0.51501346
+N      3.00324097      3.23373182      0.71152645
+C      3.22177302      1.86381315      1.31079298
+C      4.51840546      1.63581975      2.05853057
+H      1.42626503     -1.39295718     -1.27595696
+H      3.00146183     -0.74160249     -1.83947285
+H      1.50052210      0.22241190     -2.04839722
+H      3.97511076      1.01618651     -0.57647732
+H      1.32001590      2.59605789     -0.46532035
+H      2.74833740      3.00443070     -1.47590726
+H      3.92187154      3.62011162      0.46681959
+H      2.35890869      1.63042886      1.95919487
+H      5.39020222      1.82408801      1.41156105
+H      4.57876728      0.59886679      2.41969349
+H      4.58778529      2.30178902      2.93131113 
+
+17
+-1606.2060141805725 10.985265 12.01927 -8.3647 -6.2223 -9.737 0.8518 -0.1003 3.126 9.45599 -2.77197 7.7625402852 11.6552047412 0.154488275
+C      2.23851961     -0.70994348     -1.16869294
+O      1.86413454      0.46340284     -0.44406087
+C      2.98683877      1.20502952     -0.03560013
+C      3.52408257      2.31373982     -0.96155449
+N      2.97306966      2.61288937     -2.26523484
+C      2.74470144      2.66866141      0.27211080
+N      3.35545383      3.40181361      1.35967441
+H      1.30906219     -1.21561404     -1.46051784
+H      2.83777231     -1.39233003     -0.53821320
+H      2.82142661     -0.46344744     -2.07341375
+H      3.70682041      0.65398936      0.58709658
+H      4.60385695      2.48810821     -0.90881110
+H      1.96608757      2.43123816     -2.25971232
+H      3.37255520      1.98193796     -2.96575566
+H      1.71406179      2.98199543      0.06896034
+H      4.36653793      3.25419851      1.37075991
+H      2.99687863      3.06819078      2.25891509 
+
+16
+-1539.2142231803023 10.229341 11.36606 -8.5105 -6.3434 -9.964 0.8728 -0.1154 3.098 9.61808 -2.7402 7.824694467 10.9530100302 0.217177047
+C      2.21138981     -0.77949096     -1.06855158
+O      1.87994417      0.43993413     -0.40118933
+C      3.02929454      1.17480298     -0.06899342
+C      3.54810889      2.24706632     -1.05009497
+N      2.93468934      2.53610152     -2.32822334
+C      2.81753984      2.62751961      0.21540674
+O      3.50130691      3.17142161      1.32231941
+H      1.26386603     -1.27891940     -1.30634361
+H      2.81363280     -1.43791352     -0.41620227
+H      2.77420333     -0.59551882     -2.00073099
+H      3.76950780      0.64815587      0.54746887
+H      4.62962314      2.40442566     -1.03281881
+H      1.93265524      2.33191337     -2.27853500
+H      3.31226461      1.90799019     -3.04340170
+H      1.78384209      2.97380237      0.07676422
+H      3.74986146      4.08448908      1.09119578 
+
+14
+-1432.4607791359 9.725999 10.57879 -9.5002 -7.4846 -10.649 0.8085 -0.2173 0.598 9.69622 0.09025 4.3499992156 12.1122667316 0.187099605
+C      1.75563083     -0.49342525     -1.23503708
+O      1.92700137      0.24325051     -0.02507310
+C      2.98797094      1.15344714     -0.09435752
+C      2.71862276      2.56666776     -0.72221404
+N      3.07626560      3.12931690      0.58797868
+C      3.24776896      1.92547736      1.24063872
+O      3.51102461      1.62834629      2.38568386
+H      0.94331814     -1.20847423     -1.05694719
+H      2.67636731     -1.04509204     -1.49843616
+H      1.47884723      0.16310585     -2.07967483
+H      3.90947721      0.68272937     -0.48703271
+H      1.66489572      2.71705588     -1.00000485
+H      3.38639641      2.86862810     -1.54225977
+H      3.14543291      4.08918634      0.92171597 
+
+18
+-1735.473733995367 11.212167 12.41138 -9.1869 -6.8948 -10.543 0.9021 -0.0379 2.98 9.92854 -2.60858 8.4105531142 11.5353846708 0.131846776
+C      0.51190309      0.69900761      0.47327668
+O      1.66412182      0.63782015     -0.36922733
+C      2.81535141      1.25358443      0.19382915
+C      3.47634677      0.46017775      1.30205434
+N      3.97491705     -0.82178385      0.78252981
+C      3.66409022      1.97893587     -0.80478746
+C      2.85214852      2.76435280      0.21208685
+H      0.62634106      0.08933933      1.38695726
+H     -0.32368065      0.29891526     -0.11480262
+H      0.28350402      1.73822896      0.76864313
+H      2.76101632      0.36119450      2.14567460
+H      4.32853879      1.04453809      1.68493498
+H      3.21231474     -1.29152724      0.28621033
+H      4.24148630     -1.43379562      1.55645806
+H      3.30426282      1.98325968     -1.83344809
+H      4.74591361      1.91640797     -0.68705916
+H      3.37125084      3.26733684      1.02963399
+H      1.96796327      3.28268747     -0.16081453 
+
+18
+-1727.851257111849 11.516052 12.58631 -8.2957 -6.2336 -9.756 0.9394 0.0229 3.154 8.98844 -2.86282 7.7828243948 11.8515861666 0.089096538
+C      1.54814503     -0.48287096     -1.07972508
+O      2.05879917      0.18535943      0.06696224
+C      3.24405011      0.90853711     -0.21984042
+C      3.05036812      2.30260291     -0.88369707
+N      3.15110920      2.92871407      0.45538994
+C      3.91614343      4.15147924      0.57642157
+C      3.73220002      1.68579199      1.01776353
+H      0.64633372     -1.02023359     -0.76108324
+H      2.28048833     -1.20909469     -1.48134497
+H      1.27643738      0.22380067     -1.88500402
+H      3.98321158      0.24861424     -0.70903654
+H      2.09991539      2.48824880     -1.40940742
+H      3.89799508      2.55377415     -1.55448282
+H      3.98521205      4.44432325      1.63480069
+H      3.40670248      4.96452748      0.03810027
+H      4.95136511      4.06236634      0.17277667
+H      4.83929928      1.70330892      1.08079372
+H      3.30960455      1.36882064      1.98348295 
+
+12
+-1302.2182675528954 9.299378 9.80786 -8.3246 -6.3534 -8.477 0.8392 -0.062 0.097 8.12838 0.51986 4.1997405822 9.530617841 0.313670492
+C      3.27924698     -1.06478685      0.52853363
+O      2.43105975      0.07012387      0.26038369
+C      3.03252119      1.26099510      0.13797234
+C      2.52843393      2.50818235     -0.11102403
+N      3.58740112      3.41228188     -0.14001948
+C      4.64794003      2.70308404      0.08397624
+O      4.39634782      1.35093104      0.26898526
+H      2.60100952     -1.92152732      0.59058352
+H      3.81452670     -0.93690155      1.47995024
+H      4.00254443     -1.21356786     -0.28557746
+H      1.49737055      2.80264305     -0.26692618
+H      5.68685797      3.00721224      0.14675224 
+
+13
+-1382.2577781907985 10.066004 10.48908 -7.8822 -5.8899 -8.126 0.744 -0.1562 0.622 7.66278 0.01649 4.4665088598 6.635544741 0.288884207
+C      3.08250292     -1.11283940      0.54464765
+O      2.30763440      0.06930346      0.28536643
+C      3.02486208      1.21723920      0.17982517
+C      2.48169620      2.46757271     -0.06684933
+N      3.58274537      3.31248954     -0.08762597
+C      4.69529445      2.55766059      0.13925246
+N      4.38649106      1.27546967      0.30618294
+H      2.35391778     -1.92906258      0.59793676
+H      3.62981822     -1.02733268      1.49487040
+H      3.80489575     -1.29834849     -0.26375131
+H      1.46649272      2.80950391     -0.22043785
+H      3.55811891      4.31474879     -0.24439959
+H      5.69445013      2.98085530      0.17341224 
+
+13
+-1331.745427893913 9.669795 10.13948 -9.8925 -7.7929 -10.169 -0.0667 -1.8982 -0.04 9.86663 0.55071 4.8930578956 12.1980154492 0.274093093
+C      2.86708084     -1.22217094     -0.32517413
+O      2.24423278     -0.01857640      0.12734153
+C      3.09192155      1.10904284      0.04250854
+C      2.58555964      2.31555081      0.78627786
+N      2.62705392      3.39535085      0.08858087
+N      3.10138241      3.04652678     -1.26324909
+C      3.31632193      1.77737097     -1.29628117
+H      2.14591152     -2.02909202     -0.14905490
+H      3.79225511     -1.42911149      0.24289246
+H      3.10602123     -1.18487288     -1.40160405
+H      4.10219655      0.87354239      0.45769892
+H      2.26260830      2.31859681      1.82825286
+H      3.68570422      1.29867229     -2.20454971 
+
+15
+-1477.6908411773634 10.428886 10.8095 -8.4681 -6.465 -9.113 1.3158 -0.3649 0.585 8.61429 -0.00762 4.996511814 5.1884297434 0.132782972
+C      2.07990671     -0.29357416     -1.54439319
+O      2.22766238      0.21218827     -0.22280272
+C      3.28000425      1.19157666     -0.11662505
+C      3.44678636      1.57358619      1.35959636
+N      2.64135351      2.80523080      1.46374438
+N      2.54381447      3.39929116      0.22437060
+C      2.89120501      2.54313975     -0.68584257
+H      1.32606368     -1.08926347     -1.49541955
+H      3.02989457     -0.72032246     -1.92020151
+H      1.73286130      0.47877488     -2.25315464
+H      4.20201512      0.77052802     -0.55874208
+H      4.50918858      1.77238200      1.58149690
+H      3.07089673      0.78052071      2.01888142
+H      2.90147569      3.48028939      2.17988115
+H      2.80325165      2.80490226     -1.73834949 
+
+13
+-1365.7524090850895 9.973526 10.3683 -8.226 -6.3032 -8.805 0.9023 0.0144 0.304 8.29082 0.22427 4.7502260236 6.2240972 0.267840798
+C      3.08270533     -1.14466751      0.51883787
+O      2.31470956      0.04032082      0.29795555
+C      3.05343483      1.18240605      0.17732540
+C      2.50255031      2.44164660     -0.04049178
+N      3.56854393      3.29302259     -0.09843356
+N      4.76088381      2.68980807      0.06359815
+C      4.45452548      1.39008444      0.23406415
+H      2.36086711     -1.96550019      0.59381444
+H      3.65998716     -1.07687182      1.45619255
+H      3.77059870     -1.33657689     -0.32167603
+H      1.47502236      2.76772325     -0.15179069
+H      3.54266291      4.29595708     -0.24619980
+H      5.25108851      0.66916750      0.38854377 
+
+12
+-1274.2697840694682 9.213925 9.67099 -8.8473 -6.8438 -9.296 0.9984 -0.7486 -0.398 8.78642 0.92231 4.6009716768 10.9444797934 0.300675347
+C      3.08539352     -1.15099221      0.54800050
+O      2.31751834      0.03299704      0.30150784
+C      3.04566179      1.17117644      0.15064541
+C      2.52867404      2.41900885     -0.09198311
+O      3.53864930      3.31859554     -0.18588014
+N      4.76260467      2.66218371     -0.00207523
+C      4.45444648      1.39089912      0.19592452
+H      2.35949652     -1.96539578      0.64408304
+H      3.66281398     -1.06293001      1.48268135
+H      3.76676749     -1.36488631     -0.29151081
+H      1.51997846      2.79642936     -0.21539809
+H      5.25903541      0.68002426      0.36404473 
+
+12
+-1304.0932309612579 9.21618 9.79204 -8.4951 -6.4421 -8.59 1.3652 -0.3682 -0.011 8.11305 0.59028 4.2137633988 7.1361506146 0.291418019
+C      3.08427389     -1.12605829      0.56406263
+O      2.31266727      0.05567078      0.27638208
+C      3.02249063      1.19756080      0.15317544
+C      2.51650721      2.44219519     -0.11762693
+O      3.59190821      3.31321799     -0.15449869
+C      4.67135642      2.52971822      0.09704402
+N      4.39798314      1.26770181      0.28768755
+H      2.35195668     -1.93776107      0.62741329
+H      3.62240353     -1.02212926      1.51688999
+H      3.80903139     -1.32736525     -0.23747162
+H      1.53258198      2.85386873     -0.29404294
+H      5.64034964      3.01774034      0.11542518 
+
+14
+-1395.8902308086786 9.628854 10.16246 -9.5158 -7.4359 -10.579 1.0929 -0.6984 0.263 10.16734 0.30497 5.2756414958 6.2968521848 0.155521734
+C      2.11331572     -0.35242919     -1.56697032
+O      2.19663419      0.19960246     -0.25603235
+C      3.24081199      1.17502763     -0.12223557
+C      3.40851461      1.55209802      1.34571552
+O      2.80326928      2.87495070      1.49704461
+N      2.56645679      3.40409581      0.22932499
+C      2.84715357      2.52834952     -0.67304299
+H      1.35412998     -1.14282761     -1.52625176
+H      3.07878969     -0.79383056     -1.87793766
+H      1.80494502      0.39554156     -2.31814450
+H      4.17034318      0.77760557     -0.57066350
+H      4.46689487      1.63851533      1.63097929
+H      2.88369374      0.85257497      2.00821023
+H      2.70864736      2.79164578     -1.72010598 
+
+15
+-1503.3396310103612 10.244084 10.99915 -8.3812 -6.3553 -9.336 0.6769 -0.3053 0.986 8.74278 -0.38346 5.2399335278 5.864165842 0.135841952
+C      1.00080222      0.21999662     -0.06287685
+O      2.41071130      0.16792981      0.18935187
+C      3.12622376      1.30506484      0.01864679
+N      4.39888294      1.32352718      0.18647119
+C      4.81769554      2.68858195     -0.16168114
+C      3.51868909      3.53739916     -0.20195758
+N      2.50197017      2.48814256     -0.42762126
+H      0.65228817     -0.81628438      0.00384536
+H      0.78622809      0.61661347     -1.06609859
+H      0.47444822      0.81719359      0.70095468
+H      5.54817395      3.07590610      0.56316455
+H      5.30987164      2.67609833     -1.15068866
+H      3.50761839      4.28158947     -1.00967844
+H      3.34743875      4.05191558      0.75983494
+H      1.57909777      2.68463572     -0.04262688 
+
+13
+-1380.1071365495154 10.0038 10.43303 -8.1256 -6.1023 -8.313 0.5536 -0.4208 0.781 7.93127 -0.15597 4.707562441 6.8132662734 0.287674676
+C      3.28133111     -1.15051104      0.49918724
+O      2.46080034     -0.00528735      0.26542393
+C      3.10267544      1.18080403      0.13862667
+N      2.47187517      2.31437930     -0.07145209
+C      3.47412231      3.26778085     -0.13979529
+C      4.71378059      2.70358206      0.03050608
+N      4.46723975      1.34168706      0.21192785
+H      2.59568791     -2.00086039      0.57541924
+H      3.84310497     -1.05833557      1.44441024
+H      3.97702433     -1.32672219     -0.33903362
+H      3.23897296      4.31447201     -0.30919005
+H      5.71874349      3.10922363      0.04274827
+H      5.16751162      0.62485760      0.36529153 
+
+12
+-1306.2415483326579 9.219621 9.84165 -8.6539 -6.5953 -8.757 0.8624 -0.0374 0.211 8.36552 0.35487 4.5058000232 7.3134505946 0.228687029
+C      3.31999166     -1.08524522      0.51855150
+O      2.46305797      0.04353268      0.24788681
+C      3.05367185      1.23426395      0.13319716
+N      2.44628075      2.35986844     -0.10844724
+C      3.48715181      3.28828680     -0.13164350
+C      4.67428944      2.67158099      0.09835603
+O      4.41400064      1.31321095      0.27649876
+H      2.64737497     -1.94641702      0.57363492
+H      3.84751045     -0.95476407      1.47340367
+H      4.04901894     -1.22499589     -0.29140543
+H      3.30067881      4.34212865     -0.31432069
+H      5.71114273      2.97418973      0.17033800 
+
+15
+-1482.991873869022 10.452281 10.95335 -7.9144 -5.9001 -9.066 0.7683 -0.1761 0.79 8.63563 -0.17572 5.2184839498 11.6033413974 0.157800197
+C      0.96896740      0.21258283     -0.40874987
+O      2.35529490      0.15303357     -0.05315697
+C      3.02580584      1.33726903     -0.06403885
+N      4.30845575      1.34223547     -0.18278802
+N      4.75744803      2.65620436      0.09577381
+C      3.61372024      3.57638459     -0.13004210
+C      2.42660505      2.69246358      0.26899002
+H      0.60922471     -0.82190111     -0.37454406
+H      0.83307039      0.60913197     -1.42813062
+H      0.38886661      0.81880513      0.30520021
+H      5.55516075      2.84920839     -0.51243177
+H      3.51971436      3.85793558     -1.19693619
+H      3.71879397      4.48670998      0.47440295
+H      1.50475012      2.93576115     -0.27344766
+H      2.21428188      2.74570549      1.35249913 
+
+13
+-1347.3879098295085 9.832219 10.14899 -9.0988 -7.0805 -9.488 0.6616 -1.0889 0.093 9.11441 0.46775 4.770547329 9.7855826514 0.367152114
+C      3.18313236     -1.19865597      0.44064885
+O      2.43107904      0.00110902      0.20921933
+C      3.12931605      1.14561651      0.09110416
+N      2.51365024      2.26969514     -0.11925627
+N      3.50884394      3.29571058     -0.19843416
+C      4.68378986      2.77403199     -0.03639231
+C      4.62650474      1.29598183      0.17750386
+H      2.44388097     -2.00373943      0.50569518
+H      3.74444553     -1.14207953      1.38612938
+H      3.87342441     -1.40419994     -0.39209330
+H      5.58433649      3.38858610     -0.06162227
+H      5.16388100      0.72693933     -0.59817110
+H      5.03701535      0.98507436      1.15170866 
+
+14
+-1399.8043503010797 9.630515 10.25996 -8.5218 -6.5597 -10.077 0.7049 -0.2937 0.488 9.57057 0.11349 5.4892445766 5.9823245 0.15059222
+C      0.92664037      0.18623007     -0.28221643
+O      2.32436823      0.15287134      0.04537735
+C      2.99026148      1.32940773     -0.05630710
+N      4.25997677      1.31310767     -0.28319888
+O      4.74822025      2.63896713     -0.17513381
+C      3.60185476      3.54361676     -0.20684094
+C      2.41788270      2.69697103      0.25030986
+H      0.57218031     -0.84346005     -0.16357649
+H      0.77013626      0.50669335     -1.32433937
+H      0.36489020      0.84274522      0.40043047
+H      3.46173884      3.89005951     -1.24573163
+H      3.83976501      4.39744295      0.43925234
+H      1.49586434      2.92720715     -0.29827315
+H      2.20672048      2.77736013      1.33062779 
+
+18
+-1734.807978580553 11.57662 13.01957 -8.8341 -6.6527 -10.025 0.9439 0.0227 3.076 9.53217 -2.75618 8.1100978404 11.3793482898 0.211811522
+C      1.31245722      0.21596769     -0.41920941
+O      2.71526465      0.24925998     -0.20856768
+C      3.18660376      1.58406398     -0.00706579
+C      4.66725655      1.57056701      0.24103325
+C      5.62792849      1.42400914     -0.92606508
+C      5.52988871      2.74158686     -0.21711732
+N      6.66548554      3.25019556      0.52139210
+H      1.02950924     -0.83533881     -0.55814118
+H      1.02110049      0.78931894     -1.32087369
+H      0.75851154      0.62693873      0.44732783
+H      2.65107232      2.03977464      0.85238663
+H      2.95685517      2.20179231     -0.90143348
+H      4.97648808      1.09186897      1.17427037
+H      5.20685873      1.33301774     -1.92822280
+H      6.52774719      0.82791992     -0.76249892
+H      4.99949585      3.53265169     -0.75638503
+H      7.25746838      2.48016815      0.84068347
+H      6.35371807      3.74907750      1.35894673 
+
+18
+-1732.7887719482248 11.374118 12.74439 -8.896 -6.7141 -10.238 0.9859 0.0513 3.147 9.54817 -2.85472 8.3974725912 10.493059166 0.106187626
+C      1.41499035      0.37539377     -0.62691590
+O      2.83269084      0.43525383     -0.60992963
+C      3.30972239      1.45557824      0.26108505
+C      4.82642807      1.47171333      0.21207836
+C      5.54077514      2.09226342     -1.01563878
+C      6.45825880      2.79999295      0.00919432
+N      5.43801614      2.53095550      1.06416589
+H      1.13143915     -0.42550656     -1.32170107
+H      0.97159803      1.32845224     -0.97355592
+H      1.00628709      0.14545264      0.37592688
+H      2.97173658      1.26748089      1.30236199
+H      2.91784266      2.44812377     -0.04026554
+H      5.20605620      0.45230771      0.41889948
+H      4.88903079      2.79297843     -1.55512638
+H      6.00873396      1.40316069     -1.72706965
+H      7.40941198      2.25590434      0.15404164
+H      6.67852705      3.86734778     -0.14611349
+H      5.81696479      2.19957703      1.95431276 
+
+18
+-1733.56785409096 11.332192 12.65665 -9.3349 -7.1714 -10.763 0.945 0.0151 2.906 10.16181 -2.5786 8.5431065468 13.3518911582 0.131428458
+C      1.43639860     -0.38992943     -0.03792676
+O      2.84417440     -0.21831715     -0.09344029
+C      3.21268895      1.15254984      0.04620377
+C      4.72174384      1.27073386      0.01832610
+C      5.45238589      0.57877695      1.14754086
+C      5.39655761      1.43899597     -1.29742592
+N      5.16672887      2.61560269     -0.42229895
+H      1.23580915     -1.46354880     -0.14456845
+H      0.92738676      0.15567711     -0.85553964
+H      1.02141892     -0.03848216      0.92624401
+H      2.82314560      1.55479675      1.00574405
+H      2.78212821      1.76297042     -0.77064887
+H      6.54217330      0.66586270      1.02795601
+H      5.19297474     -0.48904823      1.17575872
+H      5.17424889      1.01937504      2.11828314
+H      4.80529142      1.43197781     -2.21642017
+H      6.41254930      1.04853492     -1.39846340
+H      6.03947554      2.84763172      0.06461577 
+
+18
+-1725.7803893183698 11.58297 13.05147 -9.0053 -6.9008 -10.454 1.0079 0.1109 3.144 9.7704 -2.81122 8.4871764622 11.692871688 0.136485037
+C      1.16589527      0.35806672     -0.18185295
+O      2.57380299      0.30638135     -0.01073959
+C      3.16384568      1.59926099     -0.12181582
+C      4.64523606      1.47964997      0.12535817
+C      5.61225530      1.20656291     -0.97837674
+N      5.47949491      2.55617499     -0.41684633
+C      6.57854434      2.99729362      0.43830939
+H      0.78899662     -0.66773198     -0.08205135
+H      0.89120022      0.74830960     -1.18054187
+H      0.68589589      0.99599650      0.58529001
+H      2.70851852      2.28971978      0.61881713
+H      2.99029391      2.02930194     -1.12809137
+H      4.91966983      1.08447478      1.11147171
+H      5.25048435      1.08023595     -2.00196993
+H      6.50891795      0.63190868     -0.72219172
+H      6.20850101      3.75931640      1.13970702
+H      7.35896433      3.45589356     -0.18651093
+H      7.03840283      2.17507423      1.02410518 
+
+18
+-1731.0223388623156 11.292326 12.53977 -8.8001 -6.5738 -10.219 0.9564 0.023 3.121 9.53857 -2.83604 8.3824082922 10.8389057144 0.110241471
+C      1.45807457      1.73753482      1.45262035
+O      2.83964636      1.41462821      1.48267693
+C      3.48546802      1.73238895      0.25160650
+C      4.96227143      1.41104890      0.37576528
+C      5.80235997      1.91512407     -0.82782109
+N      6.15856982      3.12650495     -0.03988119
+C      5.77067290      2.43092434      1.22050373
+H      1.03795306      1.45852098      2.42729030
+H      0.92654627      1.17915253      0.65800923
+H      1.29659663      2.81973593      1.28550732
+H      3.34969250      2.80659740      0.01155392
+H      3.03571962      1.14307528     -0.57536449
+H      5.09098772      0.35520375      0.64880522
+H      5.26457881      2.12556801     -1.76779570
+H      6.64912322      1.23937401     -1.04705013
+H      7.13974960      3.40626747     -0.09641683
+H      6.60883049      1.94684449      1.75380875
+H      5.20176903      3.05109591      1.93083190 
+
+18
+-1734.1375832944045 11.381611 12.8877 -9.0971 -6.9734 -10.637 0.9103 -0.0096 3.033 10.02869 -2.71415 8.525835297 11.2042056662 0.145906539
+C      1.88453680      2.20119780     -2.00383650
+O      3.20898549      2.17181384     -1.49240161
+C      3.28831160      1.46268542     -0.26028813
+C      4.71873341      1.43232733      0.22734187
+N      5.83687109      1.26107740     -0.72384250
+C      5.65867511      2.55785346     -0.01287444
+C      6.72810995      2.93467686      0.98127546
+H      1.91666948      2.74925652     -2.95375500
+H      1.19517757      2.71900221     -1.31046920
+H      1.49802098      1.18080100     -2.18656973
+H      2.91821783      0.42560638     -0.40203794
+H      2.64217228      1.94301856      0.50369037
+H      4.83699544      0.85565932      1.15225551
+H      5.45321021      1.36662744     -1.67103354
+H      5.25418936      3.37836958     -0.61415183
+H      7.08446183      2.04524160      1.51917312
+H      6.34498620      3.65835903      1.71690749
+H      7.59208537      3.39083623      0.47481660 
+
+18
+-1738.2756935569978 11.445704 12.70363 -9.212 -7.0375 -10.274 0.8998 -0.0376 3.036 9.63808 -3.51636 8.2213008838 11.2617971632 0.368084019
+C      1.59382946     -0.15605390      0.18530813
+O      3.00007833      0.03288024      0.18999440
+C      3.35444522      1.41088428      0.06155687
+C      4.85924610      1.54152754      0.15148042
+N      5.50302837      1.08543348      1.36864718
+C      5.65892062      1.35763174     -1.11839027
+C      5.49114024      2.73747762     -0.52237057
+H      1.41011443     -1.23164545      0.30465594
+H      1.14032982      0.18283513     -0.76624504
+H      1.10594246      0.38796940      1.01701990
+H      2.87229551      1.99543190      0.87476281
+H      2.98325860      1.81231814     -0.90385165
+H      5.23173695      0.11193990      1.53659881
+H      5.15582788      1.62574647      2.16735874
+H      5.11531176      1.11892404     -2.03295684
+H      6.63238091      0.88064605     -1.01127762
+H      6.35233030      3.17171234     -0.01476499
+H      4.84198306      3.44976107     -1.03417622 
+
+18
+-1731.8312797732644 11.355058 12.81824 -9.3968 -7.2202 -10.914 1.0054 0.0758 3.125 10.25025 -2.83934 8.9001738282 11.6473440288 0.31527767
+C      1.45290332      1.34085020      1.88476549
+O      2.80124069      1.44297626      1.45617803
+C      2.91136314      1.38266386      0.03309673
+C      4.37147253      1.56087338     -0.35880585
+C      4.91141043      2.92615841      0.00294165
+C      5.96439420      3.59570847     -0.80432169
+N      4.55072707      4.02603494     -0.92357932
+H      1.45441800      1.39640297      2.98090863
+H      0.99811815      0.38055033      1.57340123
+H      0.83407728      2.16543569      1.48158085
+H      2.29810808      2.18166771     -0.42997385
+H      2.52869979      0.40820296     -0.33259645
+H      4.45729415      1.41838215     -1.44753682
+H      4.97634635      0.77883923      0.12942003
+H      4.90102089      3.15319682      1.07331735
+H      6.35957020      3.09677895     -1.69337808
+H      6.67520300      4.24708040     -0.28950324
+H      4.41257274      4.89213727     -0.39372468 
+
+16
+-1591.402480988796 11.29898 12.3173 -8.6514 -6.5776 -9.131 0.9635 -0.0202 1.183 8.65203 -0.60054 6.08461295 6.08461295 0.319182771
+C      4.20220842     -0.96325131     -0.40605141
+O      3.18679303     -0.07719084      0.07293627
+C      3.54724371      1.22960121      0.21197020
+C      4.73531132      1.80028520     -0.05354828
+C      4.97687553      3.25347381      0.14182603
+C      4.40248260      4.02873273      1.27623226
+N      5.83218991      3.64834817      1.29692799
+H      3.74337627     -1.95731659     -0.44491632
+H      5.06650098     -0.97623131      0.27806267
+H      4.53876149     -0.66826908     -1.41357194
+H      2.70193910      1.80879755      0.59046288
+H      5.57226203      1.21460529     -0.43900585
+H      5.13907913      3.82523254     -0.78052397
+H      3.79343748      3.51586572      2.02374492
+H      4.13241558      5.07299859      1.09931189
+H      6.40007341      4.45941832      1.02866266 
+
+16
+-1594.5751242907902 11.196537 12.14376 -8.5307 -6.4634 -9.056 0.9649 0.0064 1.263 8.46913 -0.68263 6.1308225322 6.1308225322 0.345539921
+C      1.74780740      0.25006839     -0.49984747
+O      3.08198420      0.41675265     -0.01996463
+C      3.64368373      1.65698554     -0.20353510
+C      3.06771205      2.72060105     -0.78876370
+C      5.03260876      1.64653992      0.34354867
+C      6.23165216      1.63011723     -0.55202450
+N      5.84135383      2.86252358      0.16027589
+H      1.46913011     -0.78421100     -0.26779746
+H      1.69582739      0.41401394     -1.58891169
+H      1.05691092      0.94549340      0.00508249
+H      2.06472499      2.70047565     -1.20721600
+H      3.64550026      3.64045488     -0.84602606
+H      5.12987491      1.09069713      1.28208184
+H      6.07496248      1.66755252     -1.63207371
+H      7.11119913      1.07313701     -0.21871740
+H      6.43830768      2.99857811      0.98086882 
+
+18
+-1732.7214840993936 11.187947 12.45593 -9.3837 -7.2308 -10.996 0.9315 0.0113 2.886 10.40077 -2.5452 8.7703480876 11.5164520086 0.22562168
+C      3.74675051     -0.75331852      0.01470020
+O      3.31356608      0.14479285      1.02932958
+C      3.34687330      1.52519725      0.63797758
+C      2.55719560      2.29986496      1.68371157
+C      4.77105384      2.04553512      0.52300303
+C      5.51763668      2.07612128     -0.76528465
+N      4.91884130      3.31434704     -0.22407663
+H      3.55471482     -1.76721450      0.38942504
+H      4.82364768     -0.65331732     -0.20654418
+H      3.17831876     -0.60503019     -0.92357283
+H      2.86259576      1.64058295     -0.35422246
+H      3.01046716      2.17003890      2.67753659
+H      1.52156216      1.93819795      1.72739889
+H      2.55301551      3.36814451      1.43105376
+H      5.36582427      1.91550986      1.43492056
+H      5.03746615      1.70573481     -1.67521907
+H      6.60325322      1.95231335     -0.73332481
+H      5.64638720      3.88909969      0.21128782 
+
+20
+-1880.3963106906606 11.961596 13.30677 -9.2519 -6.9301 -10.601 0.9298 -0.0415 3.268 9.95843 -3.01152 8.7867514354 10.7977919568 0.096641187
+C      1.90858021      0.94371491     -2.01321869
+O      3.16944405      1.28695171     -1.46339764
+C      3.21767952      1.04633619     -0.05535018
+C      4.59084258      1.42692653      0.47818371
+C      4.95366916      2.90924010      0.30468113
+C      4.14184934      3.87505851      1.17356483
+N      4.33399989      3.59191164      2.60720419
+H      1.95304362      1.15496146     -3.08952916
+H      1.09045617      1.53873292     -1.56220776
+H      1.67810214     -0.12945749     -1.86560791
+H      3.01793978     -0.02576015      0.14748286
+H      2.41675077      1.62512919      0.44986292
+H      5.34310097      0.80502736     -0.03256474
+H      4.62055181      1.16874940      1.54805524
+H      4.83226267      3.19549423     -0.75160224
+H      6.02458829      3.04166362      0.53986277
+H      3.06716023      3.76046429      0.95524034
+H      4.40800987      4.91174301      0.88393068
+H      5.29753054      3.81537498      2.87335882
+H      3.73728837      4.20337761      3.16854082 
+
+18
+-1742.2986578417156 12.088104 13.23134 -8.5106 -6.4195 -9.006 0.9499 0.0112 1.262 8.55068 -0.69731 6.0703793572 6.0703793572 0.319627924
+C      4.58733748     -1.09973696      0.15657649
+O      3.32626726     -0.43171769      0.20149764
+C      3.37028307      0.93433451      0.20745125
+C      4.44656078      1.73924338      0.19418548
+C      4.33590250      3.23779097      0.19804573
+C      4.90025443      3.88831787     -1.07339254
+N      4.86296187      5.35490960     -0.96193744
+H      4.36404075     -2.17263140      0.14912801
+H      5.19800057     -0.85347117      1.04136754
+H      5.14505398     -0.82907021     -0.75568828
+H      2.35290960      1.33432540      0.23339913
+H      5.45497988      1.31814672      0.17164471
+H      4.87595736      3.66578878      1.06029675
+H      3.27802577      3.53183605      0.31534023
+H      4.35594151      3.48085632     -1.94968706
+H      5.95544839      3.58933099     -1.19044558
+H      3.89014242      5.67456766     -0.95593872
+H      5.29352238      5.77862919     -1.78661333 
+
+18
+-1743.3670444010302 12.403822 13.24589 -8.1483 -6.1148 -8.643 0.8744 -0.0666 1.426 8.1318 -0.79759 5.8686045408 5.8686045408 0.309846752
+C      1.16646564     -0.15913504      0.58436716
+O      2.53109323     -0.22582428      0.16731832
+C      3.18369150      0.98242000      0.18553184
+C      4.52129164      1.09043349      0.08893779
+C      5.43885352     -0.09607770      0.00587654
+C      5.13667279      2.46638595      0.04019390
+N      6.05575222      2.67961236      1.17675090
+H      0.74835254     -1.16387522      0.45188092
+H      0.59430367      0.55485317     -0.03323383
+H      1.08572758      0.13141272      1.64536300
+H      2.53700905      1.86640351      0.24542997
+H      4.91901022     -1.02819834      0.25807850
+H      6.29354783      0.04179656      0.68338043
+H      5.84917132     -0.20213972     -1.01327100
+H      4.32875170      3.22206309     -0.03609835
+H      5.74293796      2.55982010     -0.87910033
+H      5.51326554      2.74157477      2.04239898
+H      6.54017205      3.57361461      1.06895526 
+
+14
+-1484.2703763959346 11.457328 12.09325 -8.9124 -6.9257 -9.225 0.6936 -0.9326 -0.11 8.77323 0.59422 4.936998534 5.0144029938 0.293273699
+C      1.14274048     -0.07843447     -0.56941942
+O      2.56525361     -0.12412653     -0.36232046
+C      3.16538475      1.08361454     -0.26014279
+C      4.50208385      1.20211822     -0.06082357
+C      5.44757871      0.03405869      0.06543624
+C      5.03604914      2.51779202      0.03222540
+N      5.51890527      3.58255297      0.11497873
+H      0.81070040     -1.11976110     -0.63276728
+H      0.90178850      0.44274727     -1.50833611
+H      0.64130735      0.41747202      0.27553944
+H      2.52273973      1.96487340     -0.34579346
+H      4.90181815     -0.91142593     -0.02421113
+H      5.96351498      0.05401560      1.03618400
+H      6.21896508      0.07247331     -0.71726959 
+
+18
+-1743.2665399658372 12.005384 12.89295 -8.4306 -6.4512 -9.031 0.9206 -0.0751 1.271 8.57211 -0.69636 6.0909734318 6.0909734318 0.306711303
+C      3.96066207     -1.00088278      0.74882472
+O      2.89383140     -0.30449914      0.10212981
+C      3.11455955      1.01690322     -0.16946685
+C      4.22110903      1.73728691      0.08048547
+C      4.39312920      3.19991457     -0.24943367
+C      3.14371428      3.87226897     -0.83381770
+N      4.93723951      3.87068826      0.95256575
+H      3.61038735     -2.02930190      0.89111451
+H      4.19208242     -0.54701149      1.72647336
+H      4.86927677     -1.00006119      0.12449561
+H      2.22983853      1.43849689     -0.64958848
+H      5.08710915      1.28372852      0.56580660
+H      5.19494075      3.27243551     -1.00969934
+H      2.30384748      3.82996493     -0.12282390
+H      2.82427064      3.40132241     -1.77619780
+H      3.35195087      4.93051483     -1.04720245
+H      4.22768611      3.85065124      1.69233766
+H      5.10810489      4.85862024      0.74331670 
+
+14
+-1479.4178996864146 10.742344 11.83811 -9.2279 -7.1421 -9.46 0.8485 -0.2228 0.618 8.99711 -0.12841 5.3546081792 6.0468840102 0.196072687
+C      3.36793433     -1.18370504     -0.04046373
+O      2.49374558     -0.05444974      0.07267044
+C      3.08381351      1.16754606      0.05468026
+C      4.39279684      1.45906692     -0.03834903
+C      4.87603562      2.88926533     -0.03470068
+C      5.59460688      3.24664045     -1.26222416
+N      6.17586279      3.51631682     -2.23706420
+H      2.72247270     -2.06789120     -0.01662636
+H      4.07653673     -1.21558502      0.80281815
+H      3.92591203     -1.15321310     -0.98987554
+H      2.32412260      1.95013756      0.13435655
+H      5.15193895      0.68258475     -0.12968334
+H      5.55795522      3.07936687      0.81202792
+H      4.03005622      3.58471932      0.08224373 
+
+18
+-1745.1306601312367 11.953478 13.00733 -8.6236 -6.52 -9.131 0.9381 0.0135 1.295 8.53743 -0.72125 6.2063796006 6.2063796006 0.353570049
+C      1.18204482     -0.14831589     -0.38019035
+O      2.58443021      0.11468623     -0.34642568
+C      2.96427513      1.41251696     -0.09939440
+C      2.12237346      2.44294380      0.10648843
+C      4.46335828      1.52369227     -0.07407984
+C      5.10443026      0.83533485      1.14103819
+N      6.56471576      1.01443461      1.10379703
+H      1.07894226     -1.21930771     -0.58873195
+H      0.68929193      0.43419800     -1.17621841
+H      0.71021161      0.08912058      0.58767726
+H      1.03935039      2.34370506      0.09776971
+H      2.53508344      3.43248623      0.29041613
+H      4.75393520      2.58284822     -0.07891093
+H      4.86418236      1.06700267     -0.99610095
+H      4.77547441     -0.22085919      1.17028001
+H      4.72856441      1.31749050      2.05763393
+H      6.95698963      0.47577948      0.32609762
+H      6.98165644      0.62602333      1.95276419 
+
+18
+-1745.427932569686 11.847062 12.73366 -8.7026 -6.6285 -9.156 0.9044 -0.0153 1.32 8.5472 -0.73535 6.2400046038 6.2400046038 0.350138362
+C      1.78471718      0.24290201     -1.82051524
+O      3.08829805      0.43343423     -1.27171978
+C      3.24684167      1.48327022     -0.40194168
+C      2.27335645      2.31377366      0.00888884
+C      4.68798245      1.56320121      0.06132076
+C      5.04432882      0.36167161      0.95835040
+N      5.56439172      1.73180990     -1.11453479
+H      1.86363129     -0.61136828     -2.50244680
+H      1.45832160      1.13655648     -2.37711933
+H      1.05099681      0.01892776     -1.02857919
+H      1.23704513      2.22723441     -0.31026494
+H      2.52241330      3.12295239      0.69198009
+H      4.76861055      2.48434231      0.66022774
+H      4.94290422     -0.58072552      0.40118377
+H      4.38940555      0.31368716      1.84155994
+H      6.08394370      0.44691538      1.30820430
+H      5.44488821      0.92164384     -1.73001567
+H      6.54044331      1.71715124     -0.80728843 
+
+14
+-1480.9684661740307 10.627184 11.64167 -9.2993 -7.2531 -9.616 0.9212 -0.3044 0.666 9.03023 -0.16765 5.3726109464 6.1697417376 0.319207842
+C      1.33893539     -0.27448266      0.53179288
+O      2.71694276      0.03088477      0.29319291
+C      3.02511010      1.34379761      0.09346263
+C      2.16784348      2.37629015      0.03561778
+C      4.52323530      1.49739072     -0.07577429
+C      5.26827746      1.20633134      1.15010685
+N      5.87174396      0.98935392      2.12378528
+H      1.29663694     -1.35626199      0.69647803
+H      0.72019861     -0.00514537     -0.33909407
+H      0.97211678      0.25565437      1.42479125
+H      1.09285002      2.25770043      0.14569045
+H      2.55023236      3.38209387     -0.12113126
+H      4.75696163      2.52145562     -0.39635080
+H      4.87525521      0.81079722     -0.86270764 
+
+14
+-1479.3235229643913 11.260246 11.83463 -9.0849 -7.0478 -9.318 0.4922 -1.1828 -0.133 8.8666 0.61702 4.9607542516 5.0833764056 0.302009306
+C      1.85256242     -0.85101124     -0.68403462
+O      1.65208741      0.37386172      0.04501552
+C      2.54214114      1.39309779     -0.19620984
+C      2.21184556      2.68428034      0.03409814
+C      0.87341262      3.14987893      0.49878450
+C      3.86162489      1.04641709     -0.63975575
+N      4.92765934      0.73722217     -1.01099172
+H      1.05460134     -1.52243862     -0.34981418
+H      2.83180648     -1.29749644     -0.45648075
+H      1.76567023     -0.68243030     -1.76821095
+H      3.00190708      3.42132126     -0.11614502
+H      0.14308666      2.33292143      0.51569122
+H      0.49627739      3.95435168     -0.15119026
+H      0.93901746      3.57403419      1.51409372 
+
+14
+-1469.1230509212055 10.736831 11.70603 -10.6805 -8.4103 -10.139 0.8286 -0.9388 0.557 9.60364 -0.1284 5.3452596348 6.6901357768 0.473357453
+C      2.54374565     -0.86077134     -0.86989420
+O      2.27371485      0.02754579      0.21941710
+C      2.79954878      1.33629297      0.01722933
+C      2.32963956      2.21557073      1.14875683
+C      1.64055898      3.34250982      0.96045294
+C      4.28336129      1.31201238     -0.03399506
+N      5.44835049      1.26743915     -0.07874757
+H      2.06490308     -1.81233600     -0.61283388
+H      3.62672673     -1.02073706     -1.00361195
+H      2.11301891     -0.47703119     -1.81203443
+H      2.44969449      1.75340621     -0.94943899
+H      2.59421054      1.86577783      2.14952991
+H      1.37712652      3.69455496     -0.03951686
+H      1.31896015      3.95482573      1.80323685 
+
+20
+-1881.3698328021248 11.932831 13.31779 -9.1777 -6.8349 -10.558 0.9553 0.0292 3.052 10.7912 -2.74377 8.8038986992 11.831550029 0.082330174
+C      1.89224059     -0.11411859      1.80099467
+O      3.02962435      0.73412907      1.77801317
+C      2.99333516      1.72889282      0.73681058
+C      1.95996318      2.82375428      1.01762235
+C      4.42108689      2.25879382      0.57575097
+C      4.99190771      2.99456899      1.78967133
+N      6.36981597      3.43160576      1.49787888
+H      2.09948665     -0.90406979      2.53500611
+H      1.71689972     -0.58251499      0.81281450
+H      0.97119278      0.41418126      2.10733644
+H      2.71520808      1.22161162     -0.21094631
+H      2.14371021      3.29947631      1.99105968
+H      0.93743007      2.42206827      1.02158343
+H      2.00616519      3.59773555      0.23766738
+H      4.45877098      2.92946588     -0.29746344
+H      5.06972417      1.39670499      0.34436813
+H      4.90236416      2.34396002      2.68004492
+H      4.39882269      3.90134284      1.98994370
+H      6.96878107      2.60803077      1.38627320
+H      6.74502038      3.94189111      2.30096030 
+
+18
+-1745.6551865569243 12.115934 13.02015 -8.37 -6.3216 -8.737 0.88 -0.0721 1.353 8.20489 -0.73393 5.9191908288 5.9191908288 0.314084701
+C      3.06292232     -0.23392600      0.73302510
+O      2.28338333      0.92211440      0.43045481
+C      2.95865069      2.09060261      0.14726486
+C      1.95248670      3.16542282     -0.14168250
+C      4.30389869      2.20415523      0.13235580
+C      5.08791761      3.44845450     -0.16362116
+N      5.96547913      3.77939382      0.97930226
+H      2.34306051     -1.03766751      0.92573815
+H      3.68638525     -0.07348115      1.62798961
+H      3.71078579     -0.51248865     -0.11458986
+H      1.22551973      3.22564851      0.68123595
+H      1.38928376      2.92606842     -1.05594521
+H      2.42196590      4.14533317     -0.27084384
+H      4.91855286      1.33695569      0.37869333
+H      4.41469509      4.27176087     -0.46701889
+H      5.75260602      3.26122428     -1.02572101
+H      5.38670661      4.02644124      1.78674275
+H      6.52772001      4.60522775      0.75736985 
+
+14
+-1485.8177761646907 11.348196 11.75704 -8.8897 -6.8906 -9.193 0.6874 -0.9055 -0.114 8.65981 0.64872 4.8648014862 4.9174459418 0.31246439
+C      1.05649781      0.12081482     -0.63576193
+O      2.46593300      0.13015648     -0.36783273
+C      3.09624579      1.31732889     -0.14705280
+C      2.32246984      2.59595374     -0.18839882
+C      4.43306776      1.24251235      0.10293487
+C      5.22904501      2.38158105      0.35041283
+N      5.90861314      3.31490413      0.55887706
+H      0.79791714     -0.93437440     -0.77432609
+H      0.81380152      0.67606244     -1.55369443
+H      0.48027715      0.52573485      0.20922344
+H      1.52100498      2.60388284      0.56505695
+H      1.85481676      2.74946895     -1.17219623
+H      2.99094808      3.44015574      0.01083967
+H      4.92127203      0.26732813      0.11471820 
+
+20
+-1883.4183655060078 11.755926 12.90651 -9.0919 -6.8121 -10.434 0.9276 0.0087 2.857 9.76358 -2.51663 8.5226364582 11.4087081746 0.115116637
+C      1.28820252      0.04281154      0.04127909
+O      2.65659722      0.39496559      0.18883305
+C      2.99539062      1.80488712      0.04032262
+C      2.54932721      2.35606345     -1.31872765
+C      2.40211613      2.62364421      1.19399944
+C      4.53165010      1.79957688      0.15817653
+N      5.14972175      1.00889891     -0.91222080
+H      1.22883992     -1.03469992      0.24390356
+H      0.91049706      0.22653312     -0.97980729
+H      0.63380739      0.56580548      0.76160974
+H      2.98828179      1.76501061     -2.13220251
+H      2.89576985      3.39374461     -1.42867279
+H      1.45473286      2.36362989     -1.41433179
+H      2.68668327      2.18686194      2.16202744
+H      1.30531717      2.66638301      1.13875319
+H      2.77030170      3.65922334      1.15649278
+H      4.77556493      1.44568117      1.18056433
+H      4.88699634      2.83905283      0.07496029
+H      4.85238271      0.03544503     -0.80393491
+H      6.16554947      1.02092120     -0.80728433 
+
+16
+-1615.371071241331 10.604312 11.82915 -10.238 -8.0941 -11.511 0.7057 -0.2736 1.467 11.48544 -1.05027 5.3874768678 11.4327118642 0.227005589
+C      1.04529717     -0.27759132      0.01282122
+O      2.45113685     -0.03579133      0.01531952
+C      2.85099901      1.35215852     -0.00026357
+C      2.39913050      2.07688826     -1.28265326
+C      2.39845236      2.10482935      1.26570789
+C      4.33095227      1.29101281      0.00069472
+N      5.49629131      1.30258483      0.00074565
+H      0.93927864     -1.36906016      0.02909087
+H      0.55119007      0.10828523     -0.89481776
+H      0.54302293      0.13580062      0.90371376
+H      2.69961805      1.50287347     -2.16818359
+H      2.85861097      3.07222228     -1.33578420
+H      1.30888999      2.20575117     -1.28479832
+H      2.69937703      1.55070083      2.16364439
+H      1.30808855      2.23265794      1.26496030
+H      2.85696429      3.10154749      1.29687238 
+
+20
+-1884.1881756147727 11.864092 13.04138 -9.0464 -6.8511 -10.428 0.9341 0.0103 3.017 9.74058 -2.70814 8.4494971168 10.377194249 0.099872378
+C      1.16073345     -0.21749764      0.36644539
+O      2.52095110      0.07545717      0.65113273
+C      2.90696071      1.42156746      0.30831541
+C      2.41105109      2.43505880      1.33856378
+C      4.43569891      1.41248399      0.12680262
+C      5.19601613      1.03231419      1.40679509
+N      4.73718711      0.55380179     -1.03208914
+H      1.01628513     -1.28719350      0.56745723
+H      0.91865743     -0.01403461     -0.69372097
+H      0.46266688      0.35542178      1.00356538
+H      2.47760768      1.66132937     -0.68483248
+H      2.77583916      2.18759881      2.34492764
+H      1.31345104      2.46310918      1.37109243
+H      2.75700087      3.44621039      1.07854239
+H      4.71347294      2.44381995     -0.15585559
+H      4.89776553      0.03117850      1.74964595
+H      5.01689536      1.74489238      2.22644335
+H      6.27847817      1.02258051      1.21159564
+H      4.40470573     -0.39172229     -0.81603015
+H      5.75090559      0.48184375     -1.15036672 
+
+16
+-1620.8577630901448 10.726208 12.0597 -10.1594 -7.9872 -11.744 0.8188 -0.1729 1.411 11.35155 -1.03972 5.3730820932 11.9371489052 0.222028751
+C      1.93228830     -0.82341058      1.55145662
+O      3.15582388     -0.14367446      1.29067722
+C      2.98777236      1.09772264      0.59831141
+C      2.41055450      2.20151634      1.48033937
+C      4.40321210      1.43604773      0.08478881
+C      4.43259017      2.62016301     -0.76261332
+N      4.43668647      3.56845999     -1.44194083
+H      2.20146960     -1.80166150      1.96831545
+H      1.35190614     -0.97536280      0.62260868
+H      1.30087974     -0.28956071      2.28249227
+H      2.32713407      0.93791883     -0.27774028
+H      3.04378531      2.35086366      2.36711996
+H      1.39452472      1.95468555      1.81457342
+H      2.35568643      3.14698993      0.92329005
+H      4.79124010      0.57738825     -0.48290564
+H      5.07331612      1.58924411      0.94559682 
+
+12
+-1306.114590544074 10.175936 11.32545 -10.8235 -8.6319 -10.443 0.9401 -0.8906 1.004 10.04481 -0.71813 4.3974486578 11.0123621284 0.437553372
+C      1.09129386     -0.10521594     -0.50131745
+O      2.48214878     -0.03591676     -0.16712693
+C      2.94027052      1.31116179     -0.05514624
+C      2.37606016      2.03539462      1.09418384
+C      1.87746967      2.62606959      2.02736176
+C      4.41385700      1.27428887      0.02299982
+N      5.57793407      1.28117191      0.05609259
+H      0.86104399     -1.17154115     -0.60147168
+H      0.88696564      0.40573582     -1.45950469
+H      0.46285405      0.33563973      0.28973956
+H      2.68397164      1.87499806     -0.97901124
+H      1.44532063      3.14521347      2.85911067 
+
+18
+-1737.5067330448692 12.410045 13.71316 -9.3208 -7.0488 -9.243 1.1177 -0.1724 1.381 8.70429 -0.75266 6.4241858068 6.4241858068 0.41216289
+C      1.00170602      0.50603028      0.93862745
+O      2.42106988      0.53983544      0.93162377
+C      2.91756345      1.49048054     -0.01539603
+C      4.41148899      1.43165715     -0.03788163
+C      5.20970948      2.48773742      0.16250821
+C      6.70879715      2.44845565      0.11372802
+N      7.21418744      3.44261657     -0.85063555
+H      0.70037645     -0.25119001      1.67335353
+H      0.59592182      0.22966442     -0.05379433
+H      0.57210692      1.48361245      1.23084936
+H      2.57119541      2.51173788      0.24165367
+H      2.51109508      1.24618929     -1.02103788
+H      4.84695679      0.44642896     -0.24123721
+H      4.77086538      3.47288336      0.36048143
+H      7.04215283      1.40834803     -0.07464992
+H      7.10093889      2.73427306      1.10573197
+H      6.96980857      3.15052719     -1.80047007
+H      8.23493945      3.48101230     -0.81036479 
+
+14
+-1476.8360414939916 11.365963 12.28475 -10.0121 -7.8134 -9.632 0.239 -1.4529 -0.077 9.15699 0.57283 5.0154568748 6.4841454364 0.303873494
+C      1.36927727     -0.35427149     -0.08919070
+O      2.74383123      0.01008428     -0.15379297
+C      2.93416876      1.39798098      0.02761506
+C      4.37954698      1.75762644     -0.03435845
+C      5.37062008      0.86875270     -0.23099009
+C      6.74059839      1.24487404     -0.28443183
+N      7.87607696      1.52447765     -0.33325821
+H      1.31979937     -1.43862302     -0.24357658
+H      0.78031435      0.15133404     -0.87628469
+H      0.93253988     -0.10771191      0.89596537
+H      2.52206632      1.72962209      1.00620020
+H      2.38456012      1.97753146     -0.74660411
+H      4.61049375      2.81820984      0.09237036
+H      5.14096654     -0.19109709     -0.35776337 
+
+18
+-1737.1768348576813 11.982245 13.02945 -9.1841 -6.9033 -9.223 1.0516 -0.057 1.447 8.6194 -0.8096 6.4633529842 6.4633529842 0.419275715
+C      1.75444540      1.92837161      1.33949864
+O      3.17178655      1.94008372      1.26680272
+C      3.64421050      1.18931277      0.14229919
+C      5.14660689      1.25488003      0.06565564
+C      5.88904495      0.13931815      0.07166887
+C      5.73191659      2.64266182     -0.05395921
+N      7.19950496      2.65527110     -0.02133936
+H      1.47019087      2.52219632      2.21742426
+H      1.36115646      0.90012685      1.45674344
+H      1.29591305      2.37524810      0.43597010
+H      3.19991390      1.61112066     -0.78646875
+H      3.31296066      0.13547447      0.21894255
+H      5.42479304     -0.84334945      0.17204946
+H      6.97160733      0.18765220     -0.04951915
+H      5.25315636      3.27174926      0.72163337
+H      5.41018249      3.06639357     -1.02332106
+H      7.51950896      2.42339844      0.92341079
+H      7.53249106      3.60321038     -0.20757150 
+
+14
+-1475.0931501826094 10.963191 11.88847 -10.185 -7.9763 -9.798 0.2203 -1.4984 -0.091 9.28881 0.55727 5.0571781638 6.501143917 0.338631648
+C      1.12818515     -0.18989023     -0.18256254
+O      2.54867951     -0.15473052     -0.08759381
+C      3.03427603      1.16574147      0.02448139
+C      4.54351763      1.15308824      0.12673647
+C      5.28841034      0.03396089      0.11298755
+C      5.14895221      2.44449700      0.24304489
+N      5.60235275      3.51873107      0.33634630
+H      0.84232813     -1.24505189     -0.26670359
+H      0.76996885      0.35568495     -1.07439214
+H      0.65316656      0.24461496      0.71572498
+H      2.61574693      1.66980514      0.92022419
+H      2.73639887      1.77607415     -0.85319480
+H      4.80356582     -0.93650993      0.02359024
+H      6.37328123      0.08023470      0.18985087 
+
+20
+-1881.2014154357078 12.013793 13.43624 -9.1193 -6.8237 -10.512 0.9626 0.0562 3.06 9.87721 -2.77333 8.7177904222 10.9116235034 0.104437522
+C      2.06390717      0.81446496      0.18743520
+O      3.26103006      1.57434745      0.15776529
+C      4.11723793      1.17301488     -0.91053125
+C      5.38903120      2.01809989     -0.90905147
+C      6.40856179      1.44846460     -1.90058703
+C      5.07483500      3.49523541     -1.19759555
+N      6.26742643      4.33781215     -0.98986831
+H      1.46806774      1.17804252      1.03452317
+H      2.26991793     -0.26431765      0.32831148
+H      1.47888836      0.93798335     -0.74436188
+H      3.58735287      1.28167784     -1.88207786
+H      4.37775369      0.10026766     -0.79901548
+H      5.81192551      1.95658986      0.11121801
+H      5.97846510      1.38763782     -2.91379817
+H      6.73447484      0.43872362     -1.61071787
+H      7.28870706      2.10231173     -1.94874203
+H      4.20351084      3.79608321     -0.58785335
+H      4.77934441      3.58986806     -2.25745685
+H      6.45407716      4.41478155      0.01411373
+H      6.07540491      5.28939109     -1.31038977 
+
+20
+-1885.041793483895 11.988265 13.19268 -9.0397 -6.8883 -10.409 0.9016 -0.0452 2.966 9.70391 -2.65603 8.2953949174 10.5572343196 0.117654956
+C      1.29398482      2.20661204      0.47622833
+O      2.68349352      2.16929813      0.76011148
+C      3.40013500      1.39124226     -0.19700592
+C      4.90369386      1.46507381      0.10136987
+C      5.19686144      0.90029441      1.50603477
+C      5.64496124      0.64602724     -0.96388558
+N      5.30083021      2.88178436     -0.05181738
+H      0.81988824      2.82543592      1.24869726
+H      0.84779607      1.19386516      0.50185997
+H      1.09489874      2.65152306     -0.51722321
+H      3.21633261      1.78570997     -1.21562716
+H      3.05791331      0.33682522     -0.16115121
+H      4.65179687      1.46711304      2.27306488
+H      6.27417008      0.96561105      1.72248399
+H      4.90074728     -0.15769836      1.58904042
+H      5.44319553      1.04675637     -1.96696379
+H      5.34852478     -0.41268117     -0.93286068
+H      6.73101040      0.69355903     -0.79235223
+H      4.74922771      3.44360434      0.60366435
+H      6.27990832      2.98906411      0.22880184 
+
+16
+-1619.074526355371 10.809465 12.22888 -10.2989 -8.0428 -11.743 0.8325 -0.1595 1.444 11.28772 -1.04623 5.3777191696 11.0984704054 0.202471725
+C      1.40146633     -0.25077444     -0.29923277
+O      2.81507311     -0.09404809     -0.35102406
+C      3.23000791      1.13427585      0.22484032
+C      4.76161291      1.21933341      0.09020088
+C      5.22599703      1.25384412     -1.37653369
+C      5.24564375      2.38598214      0.83110255
+N      5.62231420      3.32251773      1.41596643
+H      1.17045260     -1.22015019     -0.75706480
+H      0.88614692      0.54925866     -0.86210959
+H      1.03234029     -0.24410302      0.74294508
+H      2.94096522      1.18433392      1.29229079
+H      2.76024403      1.99310607     -0.29576053
+H      5.18235249      0.32567891      0.58308927
+H      4.83875402      2.14862683     -1.88318263
+H      4.84868872      0.36391296     -1.89365174
+H      6.32105047      1.26759514     -1.43984550 
+
+16
+-1580.3457736392106 12.079496 13.92895 -9.4189 -7.125 -9.339 0.9027 -0.1498 2.42 8.90393 -1.95 4.2108249306 12.2957164172 0.869389248
+C      1.00768706      0.02413079     -0.38835123
+O      2.42543940      0.11236825     -0.43405808
+C      2.89127091      1.22366874      0.33857360
+C      4.34055989      1.31858804      0.28004271
+C      5.54971728      1.43871772      0.26190652
+C      7.00324364      1.54593044      0.20365340
+N      7.43778308      2.59547403     -0.74007471
+H      0.72378224     -0.84756239     -0.99073804
+H      0.52831805      0.92787481     -0.81158577
+H      0.64010362     -0.11607028      0.64638629
+H      2.56526251      1.11430965      1.39415447
+H      2.44168833      2.16502093     -0.04081086
+H      7.40514623      0.53550996     -0.01801655
+H      7.38082255      1.81569993      1.20478653
+H      7.07860927      2.37621438     -1.67320709
+H      8.45851594      2.57818499     -0.80924118 
+
+12
+-1316.6982939738632 11.542472 12.67473 -10.4013 -8.1853 -10.003 0.1166 -1.7229 0.114 9.79264 0.21275 3.6244083464 7.9308140844 1.072897065
+C      1.00519481     -0.06346680      0.01269498
+O      2.43114162     -0.04632829      0.01259584
+C      2.92332586      1.28803650      0.00018120
+C      4.37576762      1.28676515      0.00031751
+C      5.59416171      1.32342348      0.00012947
+C      6.95769858      1.36246123     -0.00004777
+N      8.13149856      1.39852907     -0.00023805
+H      0.70653020     -1.11791997      0.02244430
+H      0.59442628      0.42269682     -0.89111670
+H      0.59434067      0.43936482      0.90729753
+H      2.56427158      1.85206137      0.88660865
+H      2.56441250      1.83541661     -0.89667697 
+
+20
+-1882.6433848682227 12.112632 13.61485 -9.1742 -6.9648 -10.563 0.8912 -0.0642 3.059 9.9046 -2.80451 8.5506448956 11.6420002322 0.158703015
+C      1.69745677     -0.77923468     -0.00841199
+O      2.99535188     -0.23641575      0.17200790
+C      3.02035417      1.16720929     -0.09190009
+C      4.44687756      1.66583928      0.08627462
+C      4.59864413      3.18082899     -0.10341603
+C      6.02037245      3.63761239      0.25493740
+N      4.17017043      3.55291937     -1.46693304
+H      1.75962781     -1.85279651      0.21219162
+H      1.33931296     -0.64352202     -1.04727179
+H      0.96161893     -0.31310007      0.67562079
+H      2.33919229      1.69463028      0.60940116
+H      2.66036015      1.37540242     -1.11644807
+H      5.10436551      1.13815303     -0.62762443
+H      4.79410925      1.38921048      1.09430198
+H      3.89308651      3.68142094      0.58532144
+H      6.76151637      3.14578120     -0.39581861
+H      6.27416970      3.39424434      1.29855336
+H      6.12687005      4.72525457      0.12660084
+H      4.82787524      3.15207820     -2.14484201
+H      4.23785783      4.56778423     -1.58141505 
+
+16
+-1620.1706066046722 10.679231 11.97954 -10.0719 -7.8077 -11.69 0.8613 -0.1616 1.527 11.30045 -1.14412 5.3781159248 12.070471051 0.187735875
+C      1.51241551     -0.30839215      0.37519009
+O      2.89358425     -0.00027673      0.23810103
+C      3.12113182      1.40439061      0.16431634
+C      4.62064096      1.64792707      0.08884128
+C      5.38025366      1.14811216      1.33490332
+C      5.00730401      1.86779380      2.54987442
+N      4.69547352      2.45770212      3.50702146
+H      1.42905030     -1.40094603      0.42821838
+H      0.92897640      0.05682920     -0.49085683
+H      1.08961096      0.13298176      1.29657964
+H      2.69006870      1.90898707      1.05262038
+H      2.62611335      1.82681488     -0.73278739
+H      4.80025089      2.72396434     -0.05173405
+H      5.02644082      1.12550198     -0.79030761
+H      6.46586880      1.25648341      1.19118212
+H      5.17308605      0.07832652      1.48891742 
+
+15
+-1472.3735723786704 12.973344 12.28217 -7.6175 -5.7364 -8.467 1.0345 -0.5345 -0.234 8.06034 0.75795 4.602856264 4.602856264 0.510970679
+C      3.40413200     -1.20051425      0.53803844
+O      2.54704518     -0.07734285      0.30673876
+C      3.15885505      1.11921408      0.10314080
+C      4.48643672      1.38702654      0.09387384
+C      4.99061201      2.71883058     -0.13667154
+N      6.26235786      2.96318168     -0.13440946
+N      6.66034258      4.24485248     -0.44664614
+H      2.74133895     -2.06036484      0.68327740
+H      4.01914737     -1.04653867      1.43927896
+H      4.06188233     -1.37748545     -0.32821826
+H      2.41142094      1.89842692     -0.06531920
+H      5.23325125      0.60926286      0.25839585
+H      4.25491566      3.52620002     -0.31914187
+H      7.55896909      4.44307705     -0.01029804
+H      5.97122302      4.97810384     -0.23205953 
+
+15
+-1498.546998136195 11.544702 11.72979 -8.6028 -6.7027 -9.275 0.9531 -0.6548 -0.092 8.68449 0.54921 4.612093221 5.3173627848 0.476000805
+C      4.37431268     -0.46680082     -0.85431100
+O      3.24872567     -0.02856700     -0.08254708
+C      3.22048300      1.28146122      0.26374030
+C      4.13720796      2.23570316     -0.01251657
+C      4.01241129      3.63045493      0.44728870
+N      2.73398695      4.04681151      0.82773467
+N      4.99561113      4.46387019      0.57375619
+H      4.21170286     -1.53304621     -1.04344147
+H      5.31178491     -0.32633130     -0.29330208
+H      4.42996642      0.07926581     -1.80932711
+H      2.32825450      1.49466039      0.85607777
+H      5.05096118      1.99695097     -0.55701593
+H      1.97970409      3.75210952      0.21140841
+H      2.71445756      5.04614335      1.02750945
+H      5.88396979      3.99279428      0.36546575 
+
+15
+-1469.7976780449196 12.186643 11.99471 -7.9949 -6.0439 -8.664 0.6566 -0.9436 -0.144 8.1879 0.60929 4.6211689962 11.3096557592 0.199877687
+C      1.44959020      0.23824638     -0.68995695
+O      2.83187734      0.40210861     -0.38397309
+C      3.23206423      1.67188060     -0.02851297
+C      2.43529896      2.75835211      0.04828317
+C      4.67209009      1.65062438      0.25922196
+N      5.33160324      2.72409040      0.53133418
+N      6.64555556      2.59987972      0.87370667
+H      1.31774547     -0.82140153     -0.93586073
+H      1.15755678      0.85965493     -1.55298938
+H      0.81822408      0.50135395      0.17514555
+H      1.37373000      2.73504551     -0.18031291
+H      2.88311063      3.70155439      0.35198689
+H      5.15015375      0.65591137      0.22816474
+H      7.15832346      3.45455498      0.67029951
+H      7.12512622      1.75620419      0.53479338 
+
+15
+-1497.6068693399886 11.177419 11.47734 -8.9115 -7.0013 -9.412 0.8452 -0.8282 -0.012 8.79061 0.3929 4.5408136696 5.539384515 0.470352518
+C      1.95208163     -0.29652499     -1.11505011
+O      3.19815674      0.18887690     -0.61375277
+C      3.23552970      1.50025141     -0.22966528
+C      2.18927641      2.35080236     -0.22681276
+C      4.63245304      1.88928083      0.16010666
+N      4.73116286      3.05106298      0.91715274
+N      5.69706349      1.26556399     -0.20891636
+H      2.12895361     -1.33950152     -1.39964259
+H      1.62869765      0.28317217     -1.99477373
+H      1.16973049     -0.25259379     -0.33984005
+H      1.18616523      2.05644470     -0.52685503
+H      2.35037168      3.39219738      0.03892383
+H      4.01136844      3.18099582      1.62337794
+H      5.67754504      3.20158862      1.26232768
+H      5.43906400      0.48576313     -0.82461017 
+
+15
+-1472.6425041364603 11.817838 11.74744 -8.0093 -6.1077 -8.888 0.4265 -1.1862 -0.19 8.39498 0.66752 4.4901653886 5.0375015856 0.367294678
+C      1.74960349      0.15142861      1.31168504
+O      1.67490121      1.47110555      0.75314467
+C      2.81254879      1.92783516      0.14333846
+C      2.68433694      3.27399754     -0.41311819
+C      1.52513631      3.93888386     -0.55519043
+N      3.86416273      1.17540067      0.12631480
+N      5.01293036      1.66370960     -0.50358399
+H      0.75187087     -0.04620174      1.71941589
+H      2.50755925      0.10369612      2.10703428
+H      2.00808664     -0.58818880      0.53946896
+H      3.62589240      3.75672760     -0.68551829
+H      0.57468633      3.48160251     -0.27930240
+H      1.50725176      4.95705736     -0.94441555
+H      5.63984013      0.87093394     -0.63667498
+H      4.82296278      2.08202203     -1.42075828 
+
+17
+-1607.3355550030165 11.72951 12.27062 -8.8258 -6.7857 -9.361 1.2016 -0.3221 0.673 8.91234 -0.08869 4.9266705002 5.6558445648 0.177528455
+C      2.83678912     -0.85548109     -0.66154400
+O      2.57307188      0.02854168      0.42520780
+C      2.98203760      1.38638299      0.15519251
+C      2.32956600      2.25262997      1.22611098
+C      4.48138841      1.50418377      0.17072853
+N      5.12946200      1.80802052     -0.89772509
+N      6.50076056      1.81447315     -0.84933239
+H      2.49496273     -1.84938110     -0.34645726
+H      3.91053228     -0.90229516     -0.91089383
+H      2.28131301     -0.55097214     -1.56814561
+H      2.62990379      1.68554850     -0.85100356
+H      2.68729040      1.96315831      2.22496668
+H      1.23914208      2.12521911      1.20060355
+H      2.56865287      3.31168918      1.06045922
+H      4.99190174      1.28830939      1.12889089
+H      6.87877736      2.44057346     -1.55672763
+H      6.91213817      1.98194945      0.07715921 
+
+17
+-1635.89229344087 11.009502 11.78634 -9.0341 -7.0111 -9.901 0.7461 -0.2281 1.047 9.15347 -0.45135 4.87140994 6.4174409684 0.196346513
+C      5.66233622      1.02381516      1.84896520
+O      4.49941943      1.83758482      2.01785561
+C      3.84599557      2.12958712      0.78694881
+C      2.44739724      2.64130607      1.12852718
+C      4.62887945      3.17618953     -0.02919419
+N      4.44401090      3.08816721     -1.39906127
+N      5.42034818      4.05767611      0.46789257
+H      6.08073214      0.86309448      2.85009823
+H      6.41807134      1.51489934      1.21260549
+H      5.39724772      0.04636404      1.40561922
+H      3.76984237      1.19965981      0.18472794
+H      2.52360908      3.53836139      1.75793017
+H      1.88642140      1.87153547      1.67420859
+H      1.89059701      2.90531418      0.21902821
+H      3.59232946      2.65133557     -1.73704907
+H      4.73942468      3.91179751     -1.91916755
+H      5.46907781      3.91680217      1.48581487 
+
+17
+-1608.6813739317552 11.445554 11.92344 -8.6219 -6.6116 -9.133 0.8314 -0.2127 0.791 8.66175 -0.15282 4.9204340044 5.5624583096 0.176511142
+C      4.33197611     -0.17191122     -2.08019548
+O      4.42178794     -0.62440860     -0.73256481
+C      4.27449559      0.44343741      0.21380610
+C      5.45689112      1.37922961      0.25629905
+C      6.81874646      0.81295109      0.55476051
+N      5.21144841      2.63528133      0.06125975
+N      6.24715390      3.52755848      0.21264850
+H      4.41762553     -1.06125810     -2.71755326
+H      5.13863032      0.53803240     -2.33760284
+H      3.36124592      0.32179122     -2.27307078
+H      4.15843502     -0.06481829      1.18576735
+H      3.36341057      1.03490908      0.01118300
+H      6.77844839     -0.28083416      0.61824383
+H      7.21217919      1.21228693      1.50472062
+H      7.55210059      1.06732577     -0.23120991
+H      6.04234876      4.38493632     -0.29568955
+H      7.18765619      3.17271072      0.00580792 
+
+17
+-1605.7889505020703 11.862499 12.56873 -8.5478 -6.5164 -9.172 1.3684 -0.1128 0.897 8.73893 -0.3157 4.9703755652 5.6878329528 0.160063476
+C      1.69531169      1.74112743     -1.98049105
+O      3.06544861      1.81670535     -1.61711358
+C      3.24191636      1.74553616     -0.20319288
+C      4.73018302      1.87016296      0.11903661
+C      5.30852292      3.20513718     -0.24022169
+N      5.81991935      3.95850346      0.66749933
+N      6.25369814      5.21378833      0.29841442
+H      1.64557558      1.79364812     -3.07556890
+H      1.11412576      2.57950051     -1.55126595
+H      1.23807957      0.79080119     -1.64378110
+H      2.85210589      0.77936842      0.17737808
+H      2.67319729      2.55794395      0.29253420
+H      5.26166968      1.06959480     -0.42446673
+H      4.87862205      1.70400212      1.19582215
+H      5.26289147      3.51953426     -1.29847314
+H      6.52055074      5.30625495     -0.69040424
+H      7.00295187      5.51645081      0.91805448 
+
+17
+-1635.9448839893012 11.232581 12.02382 -8.6532 -6.7133 -9.727 0.8272 -0.1723 1.178 8.968 -0.58252 4.9225417664 6.3404704596 0.197954322
+C      2.88195875      3.91950515      1.20395667
+O      4.10254921      3.18967272      1.15389577
+C      4.31198973      2.58557914     -0.12646137
+C      5.66457519      1.87411973     -0.14139315
+C      6.86730809      2.80857962     -0.15615978
+N      6.98831041      3.58565098      0.97896944
+N      7.75740419      2.88636809     -1.08812717
+H      2.79616703      4.33805834      2.21432367
+H      2.01449415      3.26204333      1.01077319
+H      2.87265368      4.74300143      0.46635311
+H      4.27231441      3.35929494     -0.91873826
+H      3.50293672      1.85597719     -0.32563669
+H      5.70526252      1.23667214     -1.03539024
+H      5.71941895      1.21332087      0.73937790
+H      6.12566807      3.79201522      1.47906070
+H      7.66611920      4.34035578      0.90372984
+H      7.55971970      2.19773532     -1.82185366 
+
+14
+-1395.333779040765 11.749968 11.5105 -8.1711 -6.2868 -9.163 0.9019 -0.7651 -0.515 8.62653 1.05703 4.9194917108 4.9194917108 0.557947212
+C      3.72991665     -1.04342500      0.46221198
+O      2.71161835     -0.03439019      0.45965221
+C      3.11743134      1.23672568      0.22705744
+C      4.37607277      1.68119005     -0.00523381
+C      4.63600953      3.07914133     -0.23636154
+N      5.84246397      3.49041130     -0.45708761
+O      5.85109927      4.89615186     -0.65533382
+H      3.21484552     -1.98877454      0.66200932
+H      4.47261594     -0.84731221      1.25163676
+H      4.23501082     -1.09140323     -0.51545062
+H      2.26165489      1.91587985      0.24763880
+H      5.23351483      1.00806522     -0.02666296
+H      3.80016497      3.79390989     -0.22371983
+H      6.79742116      5.06862998     -0.80762632 
+
+14
+-1447.3257479609072 10.628023 11.02574 -9.0496 -7.1104 -9.87 0.973 -0.7016 -0.363 9.38113 0.91615 4.1087596554 5.2794726632 0.34672417
+C      3.19717656     -0.55183494      1.10607662
+O      2.75959434      0.23425367     -0.01153416
+C      3.28999813      1.46714592     -0.13255580
+C      4.19072274      2.07633216      0.66898521
+C      4.62040619      3.45178125      0.32176885
+N      5.53996932      4.00320589      1.19829956
+O      4.23759925      4.06777897     -0.67606376
+H      2.66217106     -1.50416517      1.03165294
+H      2.94400175     -0.05301269      2.05461852
+H      4.28312483     -0.72694049      1.05660240
+H      2.90212632      1.98866092     -1.01042346
+H      4.60887733      1.59019428      1.55069573
+H      5.66108490      3.61572143      2.12820174
+H      5.72596728      4.99466880      1.07967562 
+
+14
+-1391.1901854894493 11.016063 11.23031 -8.553 -6.5649 -9.394 0.4401 -1.2633 -0.467 8.82916 0.94351 4.9631843772 4.9631843772 0.295998114
+C      1.29316188      0.10350847     -0.44129937
+O      2.70556334      0.29972153     -0.39872850
+C      3.13404931      1.56080332     -0.05581355
+C      2.34621704      2.61575671      0.23654899
+C      4.60443169      1.57392985     -0.05984656
+N      5.26490769      2.63462996      0.24221707
+O      6.65120126      2.39858659      0.16535376
+H      1.14271271     -0.94342119     -0.72704291
+H      0.82397991      0.76471793     -1.18844959
+H      0.83817400      0.28945254      0.54562726
+H      1.26128855      2.56522147      0.22923208
+H      2.82129841      3.55978960      0.49174880
+H      5.10992588      0.63814360     -0.33069188
+H      7.01792833      3.26625962      0.41538440 
+
+14
+-1445.9672062361572 10.253895 10.77937 -9.1116 -7.0735 -9.927 0.8108 -0.8837 -0.316 9.44081 0.79179 4.1379831556 5.4697539774 0.296913522
+C      1.84452530     -0.39325811     -0.94372392
+O      3.18175217      0.09202393     -0.79639565
+C      3.31597251      1.37989673     -0.33827329
+C      2.32574863      2.22632728     -0.01133658
+C      4.76381705      1.80902923     -0.21964562
+N      5.66808806      0.85280389     -0.58581628
+O      5.08288457      2.92921600      0.17433571
+H      1.93210565     -1.41979988     -1.31585519
+H      1.28413087      0.22018536     -1.66738360
+H      1.31898466     -0.39045057      0.02470079
+H      1.27161519      1.97069837     -0.07729793
+H      2.61316263      3.21596666      0.33610526
+H      5.36230054     -0.05976770     -0.90405601
+H      6.65428218      1.07903882     -0.52749770 
+
+14
+-1395.3642493270743 10.921739 11.10032 -8.6161 -6.6848 -9.556 0.4459 -1.2165 -0.394 8.98072 0.90271 5.1687655638 5.3456439914 0.558581142
+C      1.98465594      1.32600876      2.62129282
+O      1.79257313      2.18646854      1.48551649
+C      2.81158762      2.23598694      0.58469108
+C      2.58222390      3.11877507     -0.55637389
+C      1.46322331      3.83876949     -0.73515308
+N      3.86712884      1.51479400      0.81189219
+O      4.84106240      1.67046506     -0.21275461
+H      1.06958959      1.42544867      3.21481311
+H      2.86184927      1.63991540      3.20527512
+H      2.12817292      0.28370593      2.30170066
+H      3.39926753      3.15808546     -1.27624668
+H      0.64239031      3.80335485     -0.01856838
+H      1.34862730      4.48049571     -1.60879582
+H      5.54321794      1.07940610      0.10817099 
+
+16
+-1529.8154312395218 10.795292 11.55438 -9.7049 -7.6119 -10.798 1.3095 -0.4668 0.357 10.30778 0.24762 5.4955430654 6.6501998862 0.195266696
+C      2.72760858     -0.82228145     -0.73220164
+O      2.50301484      0.05131618      0.37311389
+C      2.98010835      1.38862014      0.14040114
+C      2.36215986      2.27300710      1.21728652
+C      4.48404553      1.42095947      0.19511169
+N      5.14667261      1.74619036     -0.85262332
+O      6.54203141      1.71485017     -0.60891494
+H      2.30239545     -1.79388840     -0.45197301
+H      3.80116984     -0.94673748     -0.95485330
+H      2.22120124     -0.45199329     -1.64274798
+H      2.66382227      1.72849995     -0.86446813
+H      2.67291400      1.93628866      2.21641970
+H      1.26701430      2.22136501      1.15879690
+H      2.67794268      3.31616612      1.08322344
+H      4.98339259      1.14328514      1.13494080
+H      6.90226646      1.98089234     -1.47436176 
+
+16
+-1584.630256849379 10.18096 11.13047 -9.1588 -7.1154 -10.701 0.8199 -0.1537 0.513 9.73376 0.13137 4.3910509802 11.6852589476 0.159870287
+C      2.85045672     -0.89498207     -0.30268131
+O      2.80550684      0.05248695      0.76580592
+C      3.03967837      1.39695664      0.32402914
+C      2.40424300      2.34626745      1.33533334
+C      4.54056577      1.72663890      0.16523700
+N      5.37263812      0.89178033      0.85170591
+O      4.91940343      2.68687744     -0.50209583
+H      2.64046928     -1.87832151      0.13655231
+H      3.83976545     -0.92071537     -0.79368325
+H      2.08281100     -0.66809438     -1.06368054
+H      2.58497895      1.55323294     -0.67129354
+H      2.82161965      2.17400945      2.33735334
+H      1.31996036      2.18095160      1.37445262
+H      2.60168349      3.38535218      1.04405499
+H      4.98015487      0.13759846      1.40695499
+H      6.36967473      1.07797100      0.85455491 
+
+16
+-1531.8397084191922 10.566663 11.29369 -9.5336 -7.4622 -10.465 1.3996 -0.2505 0.516 9.88053 0.15184 5.5347846344 6.4673949278 0.192461682
+C      3.56647686     -1.25275601      0.34489290
+O      3.05678955      0.01028825      0.76994404
+C      3.38643761      1.06536954     -0.13593956
+C      4.85047235      1.44129000     -0.10251675
+C      5.47686909      1.85761690      1.19364649
+N      5.45611526      1.38332425     -1.23932979
+O      6.81078179      1.80093371     -1.12610520
+H      3.22164714     -1.99172297      1.07876346
+H      4.66996647     -1.26545287      0.30777632
+H      3.17939864     -1.52298152     -0.65471753
+H      2.78044874      1.92468168      0.19416135
+H      3.10374128      0.80943661     -1.17275520
+H      4.82417510      1.59745508      2.03531811
+H      5.65524585      2.94481570      1.19895458
+H      6.45708554      1.37892831      1.32418438
+H      7.12292876      1.68869336     -2.04130762 
+
+16
+-1528.7793177048604 10.928186 11.83833 -9.4645 -7.3952 -10.537 1.3686 -0.2681 0.582 10.05002 0.01717 5.5376735082 6.6260970078 0.176093928
+C      1.37086911     -0.29490827     -0.17409500
+O      2.74851095     -0.05547131      0.07551489
+C      3.08988227      1.31607074     -0.10088451
+C      4.58791307      1.48681655      0.14583702
+C      5.43343252      0.75566399     -0.85002295
+N      6.27129961      1.41488483     -1.56209480
+O      6.97591710      0.55417041     -2.44619975
+H      1.19378394     -1.36533243     -0.01102847
+H      1.09616582     -0.03716998     -1.21428601
+H      0.72742299      0.28644955      0.51333525
+H      2.51960846      1.94589216      0.61142076
+H      2.82925718      1.64700311     -1.12629537
+H      4.81160934      1.11370469      1.15978661
+H      4.84214697      2.55593456      0.11531514
+H      5.32016194     -0.33069718     -0.96121646
+H      7.56339873      1.18101856     -2.90511635 
+
+16
+-1583.8637353402107 10.327931 11.31009 -9.225 -7.1771 -10.647 0.7983 -0.2031 0.674 9.56909 -0.03494 4.381541254 12.014367386 0.193714948
+C      2.59071340     -1.18556307      0.23645726
+O      3.81683565     -0.48725634      0.42899253
+C      3.73498611      0.86966135     -0.02861821
+C      5.07194710      1.56861246      0.18317391
+C      6.23425598      1.11944607     -0.71034415
+N      6.30640311     -0.22758975     -0.92901949
+O      7.04512097      1.92150916     -1.17183153
+H      2.72819815     -2.19777544      0.63600214
+H      2.32380593     -1.24832056     -0.83444225
+H      1.76334543     -0.69254562      0.77845676
+H      2.94402915      1.39736949      0.53803500
+H      3.45005891      0.88624968     -1.09923373
+H      5.37931249      1.44364517      1.23466696
+H      4.94976729      2.64524383      0.00814301
+H      5.61919540     -0.85259317     -0.51121918
+H      7.07246492     -0.58371325     -1.49104902 
+
+18
+-1724.2964046609402 11.479453 12.89445 -9.0878 -6.9711 -10.594 1.0043 0.1086 3.384 9.88598 -3.3038 8.7232954006 12.282425118 0.127180776
+C      2.98853867     -0.91412617     -0.58454995
+O      3.14926086      0.43954971     -0.97979879
+C      3.86540619      1.19291700     -0.00730154
+C      3.97576855      2.62897605     -0.50516338
+N      4.69685680      3.44272562      0.47349688
+C      6.15149591      3.51712178      0.27819901
+C      5.27781844      4.68089632     -0.05277969
+H      2.43296901     -1.42128846     -1.38366504
+H      2.41896681     -0.99686355      0.36072375
+H      3.96544762     -1.41668086     -0.44877595
+H      4.87599298      0.76186729      0.14716908
+H      3.34243099      1.17413131      0.96889647
+H      2.96422749      3.04749447     -0.62663889
+H      4.46193072      2.63238517     -1.50386259
+H      6.58006758      2.96500273     -0.56571372
+H      6.75266722      3.51882892      1.18993284
+H      5.23112684      5.54469113      0.61408528
+H      5.13010733      4.90191153     -1.11540377 
+
+18
+-1743.763289334965 11.967756 12.97091 -8.3414 -6.2703 -8.765 0.9312 -0.007 1.372 8.23541 -0.74872 5.9542540696 5.9542540696 0.326459929
+C      2.62124311     -0.59566438      0.14470761
+O      2.24378732      0.77758284      0.12942653
+C      3.25628755      1.71932913      0.07339566
+C      2.63072595      3.08696616      0.12420502
+N      1.99146573      3.32133804      1.43413080
+C      4.56813813      1.42613493     -0.01754507
+C      5.70499274      2.40536404     -0.04855785
+H      1.68766398     -1.16451855      0.22432044
+H      3.26895784     -0.82306220      1.00798876
+H      3.14470683     -0.87756669     -0.78468687
+H      1.92946404      3.15740120     -0.73296004
+H      3.40365270      3.85112442     -0.02587574
+H      1.27718841      2.60255856      1.57770015
+H      1.49484995      4.21527672      1.41015336
+H      4.86240173      0.37528704     -0.06345798
+H      5.37371967      3.45031699     -0.00902326
+H      6.31182991      2.28147357     -0.96032759
+H      6.38416439      2.24591820      0.80489605 
+
+18
+-1737.3845085880325 11.83772 12.73531 -9.166 -6.9035 -9.689 1.5826 -0.0418 1.248 9.14534 -0.68185 6.716383613 6.716383613 0.42292126
+C      3.72167011     -0.58872314      1.23761163
+O      3.22016262      0.65810105      1.70587448
+C      3.14240188      1.66844012      0.67675780
+C      2.29912203      2.80145488      1.27147120
+N      2.95116830      3.37575629      2.45436908
+C      4.51075518      2.12238875      0.24199298
+C      5.00711445      1.92137768     -0.98365724
+H      3.70539554     -1.27517426      2.09370959
+H      4.75427011     -0.50574171      0.85709824
+H      3.08209677     -1.00016888      0.43323198
+H      2.60006863      1.25117156     -0.19734758
+H      1.28768188      2.38962106      1.46241846
+H      2.20056581      3.58772032      0.50685685
+H      2.98839037      2.66347074      3.18790885
+H      2.38938412      4.14620523      2.81969773
+H      5.09268388      2.64464391      1.00661134
+H      4.42786719      1.40546670     -1.75531083
+H      6.00151113      2.27234972     -1.26549456 
+
+16
+-1579.4743991749406 11.334117 12.41285 -9.4215 -7.1204 -9.884 0.9747 -0.0135 2.193 9.47724 -1.78074 4.3575747602 10.624112368 0.575277015
+C      2.55204212     -0.90524320      0.67626420
+O      2.30947388      0.46385010      0.99115051
+C      2.84403063      1.36488719      0.01674659
+C      2.32303391      2.76724576      0.37466347
+N      2.72582169      3.73036379     -0.65304499
+C      4.31375971      1.33369603     -0.02366430
+C      5.52817212      1.32391904     -0.04422247
+H      2.06752967     -1.49602909      1.46319787
+H      3.63146539     -1.13408736      0.66033566
+H      2.11417972     -1.17476975     -0.30292909
+H      2.46537995      1.10439488     -0.99290613
+H      2.66196032      3.00007850      1.40217257
+H      1.22520413      2.70239924      0.39052609
+H      3.73581238      3.88877404     -0.59914889
+H      2.27933242      4.63134479     -0.47476487
+H      6.59907196      1.30675603     -0.05972622 
+
+18
+-1737.0702338482051 11.897446 12.90514 -9.2131 -7.056 -9.638 1.1783 -0.155 1.275 9.11627 -0.70682 6.6873584904 6.6873584904 0.388523123
+C      2.21247632     -1.00497582     -0.48611116
+O      3.40244925     -0.29817854     -0.17165755
+C      3.25589742      1.10703467     -0.36309654
+C      4.59401645      1.76853922     -0.02341309
+N      5.73619831      1.26531884     -0.80731858
+C      4.57171287      3.27288151     -0.11732812
+C      3.52734726      4.05198580     -0.42226041
+H      2.41225870     -2.06990483     -0.31214467
+H      1.92085927     -0.85965810     -1.54366272
+H      1.36953074     -0.68655456      0.15597737
+H      2.44959801      1.49410510      0.29225600
+H      2.97608318      1.32174320     -1.41582523
+H      4.81440386      1.51034189      1.03058434
+H      5.59500924      1.50553945     -1.79385849
+H      5.73199200      0.24271924     -0.75732812
+H      5.54698098      3.73085183      0.07739476
+H      2.53414006      3.65293087     -0.63773954
+H      3.63336606      5.13696021     -0.46159823 
+
+16
+-1579.9972642513617 11.538022 12.73618 -9.3682 -7.1887 -9.755 0.9181 -0.0741 2.249 9.41699 -1.85832 4.389600344 10.7675145756 0.305740044
+C      1.70354141     -0.51840929     -0.49109797
+O      3.04757316     -0.06018856     -0.42705180
+C      3.13364499      1.28545942      0.02666636
+C      4.62345935      1.68709686     -0.00384710
+N      5.26458731      1.56848583     -1.32393605
+C      4.76899504      3.04190247      0.52786279
+C      4.84013693      4.17324114      0.96056751
+H      1.73324363     -1.55474292     -0.85022114
+H      1.10125229      0.09110794     -1.19049625
+H      1.21975261     -0.49387373      0.50307991
+H      2.73428940      1.37826125      1.05572331
+H      2.55155280      1.95999009     -0.63362805
+H      5.15315416      0.99155193      0.67296296
+H      4.86389532      2.26938941     -1.95474240
+H      5.01223176      0.65192756     -1.70537665
+H      4.92852985      5.16926062      1.34412456 
+
+20
+-1868.369814057435 12.261472 13.61292 -8.3936 -6.3397 -9.761 0.9435 0.034 3.298 8.96458 -3.03822 7.7554358874 12.3271716654 0.136805796
+C      1.66633003     -0.75380163     -0.56516675
+O      2.94617740     -0.22551052     -0.25627481
+C      2.94575452      1.19877209     -0.25933627
+C      4.36951796      1.66112647      0.03730406
+N      4.46767386      3.10750329      0.23904923
+C      5.74921999      3.45553854      0.84595422
+C      4.27963464      3.85345944     -1.00322400
+H      1.74947714     -1.84742955     -0.52846005
+H      1.33465852     -0.45057249     -1.57698389
+H      0.90280503     -0.42506501      0.16555702
+H      2.25898409      1.59372012      0.51571979
+H      2.59298639      1.56893285     -1.24264465
+H      5.04775975      1.30335984     -0.77099108
+H      4.68777275      1.16399596      0.96650022
+H      5.86155719      2.93143588      1.80563624
+H      5.78302904      4.53735081      1.04034318
+H      6.62069142      3.19458678      0.20326571
+H      3.28427096      3.66179691     -1.42491387
+H      5.03998054      3.59841997     -1.77667041
+H      4.35099878      4.93071025     -0.79610388 
+
+15
+-1485.2479239165957 11.835742 11.72564 -7.7743 -5.8859 -8.553 0.8223 -0.1528 0.538 8.07254 -0.02081 4.9496327074 5.0770159238 0.382607082
+C      3.23832149     -1.09284203     -0.80514703
+O      2.48796045     -0.06964207     -0.15154184
+C      3.15063096      1.10162329      0.08918727
+C      4.43374508      1.38914664     -0.21142011
+N      5.03599561      2.61525791      0.09631507
+C      6.31804847      3.00013848     -0.26116076
+N      7.22080841      2.37945411     -0.93416339
+H      2.56063241     -1.94673500     -0.91103479
+H      4.11463359     -1.38708025     -0.20228300
+H      3.57514894     -0.76070014     -1.80223634
+H      2.49117007      1.81734866      0.58501109
+H      5.08419390      0.67120480     -0.70615065
+H      4.49070112      3.28956643      0.62550856
+H      6.55353360      4.00331048      0.11951344
+H      6.90520588      1.45412869     -1.25513751 
+
+15
+-1489.6161616346837 11.543385 11.53257 -8.1395 -6.2157 -8.709 0.762 -0.1905 0.639 8.03003 -0.22736 4.9066715584 5.3240456302 0.443834915
+C      2.03384083     -0.27644432     -0.22338398
+O      3.27758327      0.43310540     -0.20203590
+C      3.19932327      1.79356038     -0.20685768
+C      2.06398852      2.52749353     -0.22223918
+N      4.47006123      2.38111215     -0.19976067
+C      5.74980553      1.82155733     -0.13302789
+N      6.15514191      0.60902720     -0.07212107
+H      2.30057737     -1.33841636     -0.21633069
+H      1.46516142     -0.03842581     -1.13541720
+H      1.43072564     -0.03542967      0.66546514
+H      1.08109484      2.07109288     -0.23752025
+H      2.11996801      3.61328688     -0.22097438
+H      4.44552943      3.39585564     -0.22546586
+H      6.50195566      2.62460953     -0.13899969
+H      5.36412305     -0.04478476     -0.07506071 
+
+13
+-1360.1822604706856 11.06935 11.08308 -8.2036 -6.2655 -8.662 0.9992 -0.654 -0.057 8.21673 0.54035 4.6192596118 4.6192596118 0.317382936
+C      2.14383454     -0.90143382     -0.78537227
+O      1.97416078      0.21782674      0.10409740
+C      2.81436051      1.29602362     -0.14436330
+C      2.29694171      2.55395986     -0.07590714
+N      0.96047655      2.81672183      0.09025481
+C      4.19661441      1.06259973     -0.36411045
+N      5.32745111      0.81790320     -0.56092207
+H      1.43416477     -1.66413603     -0.44604192
+H      3.16889404     -1.29924089     -0.72971728
+H      1.91847925     -0.61350521     -1.82451012
+H      2.96144225      3.40988777     -0.18241363
+H      0.38574560      2.03747404      0.40136003
+H      0.70223449      3.72271915      0.46351594 
+
+19
+-1755.2488028578282 11.364378 12.47207 -8.8713 -6.5795 -10.311 0.9053 -0.0644 3.074 9.91712 -2.75871 8.4675370798 11.7642132324 0.099854182
+C      3.43431240      1.49782269      3.12371334
+O      4.11529805      2.40181714      2.26216285
+C      3.55170569      2.47322160      0.93151498
+C      2.31630410      3.38009086      0.90336070
+N      2.66275059      4.75461447      1.28758615
+C      4.67646256      2.93987184      0.01260717
+N      5.73348258      1.91743869     -0.03391910
+H      3.99730999      1.47096974      4.06602066
+H      3.40350397      0.47950710      2.69351446
+H      2.39908303      1.81790237      3.34280957
+H      3.25434832      1.45221442      0.62071774
+H      1.52970902      2.91687618      1.53447357
+H      1.92288085      3.38678584     -0.12674586
+H      3.08819787      4.73465650      2.21907994
+H      1.81607712      5.32114536      1.36376687
+H      5.01058622      3.93804473      0.34885553
+H      4.25894822      3.06136874     -0.99962653
+H      6.12105573      1.82089250      0.90912970
+H      6.50057370      2.24555924     -0.62477174 
+
+19
+-1756.5972153102143 11.584142 12.75219 -9.0789 -6.8366 -10.349 0.8696 -0.0866 2.949 9.80837 -2.66943 8.3369302274 8.649449339 0.0922094
+C      3.41940031     -1.32187570     -0.67486874
+O      4.23573828     -0.33481981     -0.06302041
+C      3.75042328      0.98508086     -0.29583291
+C      4.71311019      1.98575260      0.34719959
+N      6.09640097      1.89318487     -0.14292302
+C      4.21254305      3.43134743      0.16390489
+N      5.00736330      4.46323367      0.83422112
+H      3.85791780     -2.29905074     -0.43557632
+H      3.38808027     -1.19893697     -1.77435800
+H      2.38252583     -1.28830928     -0.29000377
+H      2.73211923      1.09564700      0.13255538
+H      3.67666876      1.17600262     -1.38852857
+H      4.74492620      1.76516919      1.42966617
+H      6.09873177      2.00855479     -1.16295200
+H      6.44514085      0.94692541      0.02900666
+H      3.16901167      3.50957171      0.50804403
+H      4.19904276      3.66012580     -0.91830044
+H      5.99548341      4.25473174      0.65294196
+H      4.89201207      4.37095481      1.84771438 
+
+17
+-1624.79542710552 11.210522 11.98556 -8.7387 -6.7594 -9.536 0.861 -0.0969 1.022 8.75766 -0.50112 5.0046824914 8.7108720034 0.288709525
+C      1.55420343      1.55916975      2.60082142
+O      2.51123219      2.32461826      1.88039856
+C      3.24348711      1.53016595      0.95176473
+C      4.28722903      2.42529336      0.29189290
+N      5.31184514      2.90486815      1.20326926
+C      6.44825052      2.18466457      1.52055807
+N      6.94706978      1.12650866      0.98372830
+H      1.04334487      2.24492984      3.28805748
+H      2.03693075      0.75326235      3.18439749
+H      0.80718913      1.10427151      1.92343172
+H      2.56393163      1.11208170      0.18110228
+H      3.73513187      0.68462392      1.47184092
+H      3.78064093      3.29516184     -0.15307561
+H      4.77025626      1.88143136     -0.53339206
+H      4.99502883      3.56599144      1.90709312
+H      7.00553920      2.64968418      2.34696081
+H      6.35241932      0.76239317      0.22587061 
+
+14
+-1433.0988176812198 11.042231 11.2697 -8.1594 -6.2139 -9.058 0.7464 -0.1637 -0.044 8.66729 0.66736 4.2892832714 5.0436140954 0.407821804
+C      3.59152734     -1.22315177      0.02353552
+O      2.62613452     -0.17376470      0.09441990
+C      3.11413734      1.09926531      0.01298486
+C      4.40084066      1.47437397     -0.12670158
+N      4.79899669      2.81913403     -0.20092119
+C      6.09322731      3.25131157     -0.34230982
+O      6.42771872      4.42794022     -0.40642263
+H      3.02940623     -2.15963229      0.10480657
+H      4.31464879     -1.15176761      0.85394194
+H      4.13285576     -1.19808483     -0.93766821
+H      2.30108296      1.82542369      0.07708313
+H      5.22099095      0.76093988     -0.19187294
+H      4.09395086      3.55503988     -0.14904987
+H      6.81466186      2.40289266     -0.39290567 
+
+14
+-1438.723614108786 10.789965 11.06382 -8.6035 -6.6459 -9.229 1.3258 -0.4222 0.026 8.63803 0.52223 4.2611756452 5.2980581646 0.417958897
+C      1.57507793     -0.11329681     -0.41674737
+O      2.91954464      0.31604123     -0.17340178
+C      3.10193208      1.64988553      0.02316934
+C      2.15216168      2.60781318      0.02017893
+N      4.45809993      1.93394029      0.24216454
+C      5.52448325      1.05635974      0.24517862
+O      6.67631947      1.41976264      0.44666262
+H      1.63359093     -1.19825720     -0.55188777
+H      1.17291135      0.35667358     -1.32738729
+H      0.92751508      0.12248026      0.44173376
+H      1.10502303      2.38035408     -0.14527321
+H      2.42897978      3.64554838      0.18843788
+H      4.69919164      2.90862326      0.41603897
+H      5.22833922      0.00873184      0.04941276 
+
+14
+-1429.255472201337 10.766815 10.7213 -7.6921 -5.8315 -8.746 0.3147 -1.3454 -0.698 8.28559 1.40411 3.4086479092 3.9106796218 0.244811774
+C      2.92215201     -0.45023263     -0.56796748
+O      2.36899056      0.82316082     -0.27690964
+C      3.26851290      1.86922326     -0.11804626
+C      2.62919041      3.14295939      0.10538273
+O      3.23164409      4.21815364      0.29170768
+C      4.64134624      1.74746695     -0.18369270
+N      5.48513425      2.79085749      0.04290313
+H      2.07381061     -1.13773015     -0.66358170
+H      3.58407875     -0.80237185      0.24466506
+H      3.49008718     -0.44042436     -1.51663309
+H      1.51492916      3.11169463      0.09075014
+H      5.11251682      0.78737690     -0.39856375
+H      5.03259526      3.70873738      0.14832213
+H      6.45472176      2.71945854     -0.23774625 
+
+18
+-1688.658013892714 10.633716 11.75037 -9.2441 -6.9438 -10.646 0.8133 -0.1771 2.857 10.06023 -2.55639 8.4782494702 13.556443261 0.087231787
+C      1.12929078     -0.27026886      0.14494381
+O      2.48049712      0.03832014      0.47068348
+C      2.82622841      1.42950853      0.27836587
+C      2.36109837      2.29519409      1.45339794
+N      2.99107449      1.86156231      2.70645792
+C      4.33773307      1.44438695      0.06061577
+O      4.70567712      0.66540505     -1.07870563
+H      1.01955563     -1.35807922      0.24340995
+H      0.89017601      0.02496590     -0.89306703
+H      0.41006141      0.21948065      0.82559504
+H      2.33607542      1.78854411     -0.64831706
+H      1.25149246      2.29158218      1.47374921
+H      2.66253570      3.33562056      1.24585580
+H      2.75347468      0.87964416      2.87306585
+H      2.61328666      2.39384389      3.49209886
+H      4.84300803      1.09227933      0.97576448
+H      4.66912849      2.47435608     -0.13671582
+H      4.28863615     -0.20540586     -0.93601844 
+
+18
+-1690.8002509368027 10.781324 11.89403 -9.5032 -7.2379 -10.594 0.7876 -0.1981 2.88 9.91435 -2.59349 8.3968402626 13.6272516656 0.079122435
+C      1.19038354      1.74690951     -1.65489777
+O      2.57723739      1.87733127     -1.37933400
+C      2.92055190      1.36396641     -0.09451949
+C      4.43299517      1.48761674      0.10216547
+N      5.23968006      0.84066137     -0.94964979
+C      4.89970722      2.95007429      0.19807484
+O      6.31224905      3.00901013      0.35249864
+H      1.01913589      2.15782974     -2.65776930
+H      0.57794617      2.30897557     -0.92521698
+H      0.87187961      0.68725444     -1.63760564
+H      2.61400751      0.29989817     -0.01937843
+H      2.38300834      1.92384811      0.69902775
+H      4.68619532      0.99825062      1.05769906
+H      4.81491870      1.04231104     -1.86022000
+H      5.23657527     -0.17478901     -0.83805745
+H      4.44569879      3.43726151      1.07515771
+H      4.56964243      3.49901008     -0.70527110
+H      6.63417765      2.29568999     -0.24268351 
+
+16
+-1574.5408025452311 10.510938 11.50031 -9.5777 -7.4844 -10.523 0.8681 -0.1096 0.43 9.87324 0.13132 4.3602032634 6.2143519004 0.210105509
+C      3.55218098     -1.22667144      0.05114846
+O      4.36997009     -0.07791476      0.23427942
+C      3.69258669      1.12551496     -0.12504645
+C      4.62250005      2.29343498      0.15774733
+N      4.97408510      2.37766245      1.56727483
+C      4.70891255      3.47104630      2.34034942
+O      4.18787303      4.51120973      1.94906132
+H      4.14592590     -2.09778447      0.35461295
+H      3.25316523     -1.34403722     -1.00712889
+H      2.63812060     -1.17605765      0.67168371
+H      2.75862053      1.22869019      0.46184525
+H      3.42571548      1.11225613     -1.20060852
+H      4.13359173      3.24128058     -0.10519888
+H      5.53499289      2.19133516     -0.45226365
+H      5.36855162      1.55073688      2.00806620
+H      5.03078752      3.31547818      3.39588751 
+
+15
+-1479.0274673099514 11.563608 11.75881 -8.7945 -6.8322 -9.337 0.8553 -0.828 0.22 8.86268 0.46963 4.3102245068 5.3956103494 0.591577565
+C      2.41663478     -0.79572734      0.12550656
+O      1.66940932      0.44021273      0.06818989
+C      2.38797762      1.58321058      0.09503558
+C      1.52452655      2.80643672      0.02282788
+N      3.68047796      1.51879646      0.17378965
+N      4.26574070      2.79375006      0.19223020
+C      5.54790410      2.74672355      0.25439169
+H      1.65874773     -1.58557114      0.09819182
+H      3.00582770     -0.84660352      1.05036458
+H      3.09692711     -0.87293101     -0.73280229
+H      0.46821858      2.52003661     -0.00438684
+H      1.77627288      3.39100942     -0.87139086
+H      1.71860546      3.45468196      0.88646195
+H      6.08612135      3.69702773      0.27387243
+H      6.10447814      1.79888719      0.28673777 
+
+15
+-1459.471781396124 11.549712 11.7825 -9.3555 -7.3712 -9.862 0.7343 -0.9891 0.427 9.26012 0.11688 4.2472892132 5.8110006452 0.484804824
+C      3.12978271     -1.15799441     -0.25501038
+O      2.57733037      0.02000144      0.33458165
+C      3.05472265      1.21544653     -0.28696773
+C      4.49111056      1.50032962      0.04466349
+N      5.35810810      1.65147551     -0.89243737
+N      6.65961854      1.83217123     -0.58144275
+C      7.14489445      3.01800305     -0.52552279
+H      2.66540654     -2.00988652      0.25691621
+H      4.22479409     -1.21287087     -0.13030171
+H      2.89609345     -1.20955313     -1.33453874
+H      2.41475102      2.01996500      0.10943684
+H      2.93650934      1.17627867     -1.38562428
+H      4.77648018      1.54745944      1.10804136
+H      8.21475642      3.11537243     -0.33322807
+H      6.53478159      3.92068201     -0.67252573 
+
+17
+-1598.7491751593657 11.684545 12.18029 -8.3761 -6.3613 -9.008 1.4454 -0.2 0.721 8.44325 -0.21765 4.8005395424 5.3292034478 0.320517408
+C      1.40236827      2.87059042     -0.66799425
+O      2.71046356      2.37688851     -0.91866736
+C      2.99933121      1.21029278     -0.14966518
+C      4.45014984      0.82097386     -0.40370061
+N      5.42455916      1.80337177      0.05695928
+N      5.58875442      1.84933153      1.40737175
+C      6.02770728      2.93483017      1.94368090
+H      1.26827195      3.76448639     -1.29025058
+H      1.27008780      3.14539522      0.39529322
+H      0.62961263      2.12555966     -0.93604427
+H      2.32494495      0.37908639     -0.44032579
+H      2.84971800      1.41324280      0.92892881
+H      4.60596089      0.67545778     -1.48366067
+H      4.66927550     -0.12716245      0.10707963
+H      5.32539478      2.71800848     -0.40392633
+H      6.21824311      2.92545714      3.01693131
+H      6.23118665      3.85522957      1.37171014 
+
+18
+-1682.923647676538 10.638877 11.70583 -9.146 -6.8501 -10.484 0.9529 -0.0184 3.072 9.88212 -2.75178 8.448096075 13.752031176 0.088939286
+C      3.20602356     -0.99806578      0.28547494
+O      2.57178526      0.01200041      1.07306856
+C      2.87725938      1.33091189      0.63863224
+C      1.90829128      2.27302310      1.36599653
+N      1.85341610      2.03310258      2.81267437
+O      4.25642136      1.64471876      0.73690412
+C      4.82353756      1.63131828      2.05832071
+H      2.86677625     -1.96360838      0.67995422
+H      4.30348112     -0.93550367      0.35274951
+H      2.91035466     -0.91329931     -0.77623307
+H      2.68976379      1.41423256     -0.45027859
+H      0.93112986      2.16383927      0.85264056
+H      2.25778812      3.30120964      1.18336650
+H      1.56343727      1.06503354      2.97271846
+H      1.13444203      2.62787030      3.22868842
+H      5.90758571      1.72440242      1.91360963
+H      4.60141268      0.68841994      2.58206732
+H      4.44855400      2.46456444      2.66984556 
+
+16
+-1517.4815783104864 11.022509 11.64675 -9.3892 -7.3549 -10.61 1.1659 -0.5732 0.378 10.1289 0.23052 5.3949656222 6.4584679358 0.224395487
+C      3.90990461     -1.14504287      0.01738062
+O      3.06205440     -0.14219188      0.57539812
+C      3.18404396      1.11520741     -0.09557310
+C      4.47190894      1.81491226      0.22704229
+N      5.27803884      2.11265192     -0.72725724
+O      6.42584253      2.76834975     -0.24712556
+C      7.27269494      3.08644684     -1.35982414
+H      3.72783904     -2.06164896      0.59201351
+H      4.97793307     -0.87686994      0.09126329
+H      3.66559149     -1.32683554     -1.04560930
+H      2.33452649      1.71618382      0.26561092
+H      3.09496012      0.99927824     -1.19124266
+H      4.70676603      2.04768599      1.27496757
+H      8.15211190      3.57476314     -0.92284550
+H      6.76752154      3.77476027     -2.05391602
+H      7.57668209      2.17528956     -1.89624282 
+
+18
+-1691.034217076304 10.793467 12.02443 -9.2559 -6.9368 -10.581 0.9616 -0.0042 2.977 9.95521 -2.69932 8.6234618734 11.6860028636 0.0901069
+C      1.55051376      0.13828755      0.71620290
+O      2.85661799      0.23229807      0.16360341
+C      3.43718331      1.52588890      0.36305522
+C      4.74157066      1.55096871     -0.42647916
+O      4.49190262      1.23326964     -1.80440948
+C      5.43870231      2.90834795     -0.38642072
+N      4.56672210      3.96359810     -0.92072321
+H      1.17748390     -0.87028685      0.49705213
+H      0.86806355      0.88504745      0.26976444
+H      1.56527878      0.28661599      1.81189052
+H      3.63565154      1.69873884      1.43935358
+H      2.75931650      2.31709178     -0.00318659
+H      5.42644507      0.79648333      0.01005644
+H      3.85066261      0.49723766     -1.78815158
+H      6.39932223      2.79471833     -0.92688681
+H      5.68178089      3.14521257      0.66214500
+H      4.35526544      3.73945709     -1.89726762
+H      5.06534676      4.85492490     -0.92645846 
+
+16
+-1525.5126703469186 10.84315 11.53012 -9.5003 -7.4857 -10.896 1.3121 -0.5873 0.253 10.49674 0.26267 5.3195201412 6.6485384738 0.466710768
+C      2.34521364      0.05844214      2.51581821
+O      1.83669719      1.35366244      2.17986891
+C      2.55642125      2.01196730      1.17035247
+C      1.76906117      3.23836870      0.75822657
+O      3.84790937      2.47862235      1.64714623
+N      4.86195031      1.57049088      1.29431871
+C      6.00615715      1.95864474      1.72182940
+H      1.61635907     -0.39017184      3.20165594
+H      3.32546138      0.12360387      3.01295429
+H      2.44385504     -0.57518222      1.61692799
+H      2.76834255      1.32601029      0.32948038
+H      1.64608442      3.90836058      1.61912517
+H      0.77650232      2.93749385      0.40180418
+H      2.29530680      3.77388521     -0.04093169
+H      6.84969629      1.31105629      1.48113491
+H      6.15335206      2.88102541      2.29513831 
+
+16
+-1515.3799831424851 11.099496 12.04085 -9.5494 -7.4285 -10.866 1.3733 -0.558 0.31 10.44506 0.19648 5.3395314816 6.617194813 0.493715136
+C      1.14701263     -0.35324466     -0.39880084
+O      2.54704462     -0.14096254     -0.28521806
+C      2.87203233      1.24243449     -0.28473211
+C      4.38332097      1.34935141     -0.15290232
+O      4.69094577      2.75530856     -0.16200379
+N      6.07971796      2.91786078     -0.02927040
+C      6.40618313      4.15677159     -0.03448278
+H      0.98447435     -1.43824861     -0.39238183
+H      0.74841992      0.06739583     -1.34138262
+H      0.59843729      0.10055335      0.44822230
+H      2.37790897      1.76334274      0.55939910
+H      2.53607481      1.72679621     -1.22317196
+H      4.88275801      0.84622186     -0.99544549
+H      4.72415611      0.89306690      0.78934053
+H      7.47046792      4.36960754      0.06508969
+H      5.67903519      4.97132456     -0.13174942 
+
+13
+-1368.4933039442549 10.894321 11.1154 -8.4156 -6.5025 -8.836 0.6106 -0.5893 -0.054 8.2847 0.57017 4.638130281 12.1574596286 0.274473508
+C      1.03860699      0.13624674     -0.60491858
+O      2.47291033      0.20314809     -0.70182187
+C      3.09766830      1.33747771     -0.29933875
+N      2.33285906      2.47315190     -0.12833878
+C      4.44098980      1.26659276     -0.03728295
+C      5.17044064      2.43294011      0.25563024
+N      5.73618089      3.43368092      0.50093199
+H      0.78985293     -0.91948914     -0.75419175
+H      0.55283569      0.72790452     -1.39706535
+H      0.69059688      0.47179819      0.38134493
+H      1.63013480      2.65755581     -0.84148753
+H      2.88705979      3.29868297      0.09923756
+H      4.93686391      0.29883941     -0.04339916 
+
+14
+-1437.317952873052 10.991811 11.01769 -8.493 -6.6464 -9.25 0.7064 -0.9516 -0.712 8.6299 1.35752 3.5351136292 4.49015299 0.445830467
+C      3.10991076     -0.68599558     -0.35019359
+O      2.41982575      0.57273928     -0.29011646
+C      3.14929273      1.69069542     -0.05027976
+N      2.30959434      2.77644143      0.00560127
+C      4.51053153      1.70827286      0.15704328
+C      5.27921962      2.91207970      0.32697222
+O      6.49511085      2.95842317      0.52411042
+H      2.33743084     -1.42554020     -0.58406284
+H      3.57275333     -0.92435100      0.61820596
+H      3.87365330     -0.67794637     -1.14099730
+H      1.44463817      2.68311615     -0.51986491
+H      2.74808986      3.69078814     -0.03920734
+H      5.06430064      0.77307021      0.19289615
+H      4.70583827      3.87983680      0.25923289 
+
+15
+-1457.5437463415806 10.850925 11.45956 -8.6822 -6.6815 -10.122 1.038 0.1795 0.743 9.6176 -0.15658 4.9710574882 6.4338567148 0.294521159
+C      3.20261627     -0.45089810      1.59823719
+O      2.31110819      0.52545038      1.01903632
+C      2.86204995      1.35148299      0.10985021
+N      4.09391256      1.29173784     -0.23765850
+N      4.37952797      2.30919380     -1.22923096
+C      5.40238259      1.80476712     -2.17881331
+C      5.79139964      2.74569442     -1.09986478
+H      2.58890207     -1.02319882      2.30159260
+H      4.03188392      0.04829491      2.11842887
+H      3.61583657     -1.10437564      0.81746971
+H      2.13685958      2.07027378     -0.28937396
+H      5.27142584      2.15393102     -3.20446477
+H      5.69304182      0.75987515     -2.05642127
+H      6.34278415      2.33141995     -0.25395384
+H      5.95474887      3.80350119     -1.31295351 
+
+15
+-1480.8161263002908 10.378772 11.10752 -9.1754 -7.1895 -10.2 0.8873 -0.0144 0.979 9.49718 -0.4077 5.310878317 11.5128812118 0.219415984
+C      1.75225040      0.60287701      1.67560394
+O      2.04930658      1.39837973      0.51030069
+C      3.35508923      1.53890986      0.11544180
+N      3.70850090      2.34011118     -0.81592058
+N      4.27709435      0.76867858      0.85051924
+C      4.55597071     -0.60499016      0.37426318
+C      5.56339953      0.48713120      0.22121200
+H      0.69015236      0.77968871      1.87850449
+H      2.36098716      0.91422793      2.53416384
+H      1.91266683     -0.46805331      1.48268109
+H      2.89310720      2.86554738     -1.15179065
+H      4.03852564     -0.93162664     -0.53142845
+H      4.66556217     -1.35558729      1.16005160
+H      6.41600742      0.52669896      0.90148919
+H      5.71261953      0.90894684     -0.77447139 
+
+15
+-1480.0437274218489 11.926263 12.16685 -8.8883 -6.9359 -9.287 1.1212 -0.5383 0.283 8.91084 0.41238 4.5042377996 5.4388070718 0.604521647
+C      3.28196478     -0.91641677      2.28537719
+O      2.30833625     -1.36376161      1.31390790
+C      2.46011591     -0.88404644      0.07096769
+N      3.40595886     -0.07713596     -0.26212704
+N      3.31387420      0.25570151     -1.62845391
+C      4.25200484      1.05070083     -2.00645128
+C      4.33125066      1.52186696     -3.41837249
+H      3.00413565     -1.41208516      3.22134279
+H      3.23986228      0.17588188      2.39117313
+H      4.29388335     -1.20547270      1.97186799
+H      1.69284597     -1.25733910     -0.61790310
+H      5.01204964      1.39301692     -1.28533045
+H      3.50790793      1.10637948     -4.01178870
+H      5.29027235      1.22514090     -3.87239584
+H      4.29127734      2.62191926     -3.46265387 
+
+17
+-1601.3067215872088 11.506561 12.07217 -8.1717 -6.1858 -9.845 0.9958 0.11 0.666 9.77946 -0.08867 4.7584214982 6.5222711314 0.268599427
+C      3.51378421      3.20495614     -4.12040463
+O      2.78658572      2.57352657     -3.04300369
+C      3.32464772      2.71420869     -1.81800809
+N      4.40551744      3.36475163     -1.59429357
+N      4.72653739      3.33208663     -0.16591224
+C      4.76131950      4.72567711      0.29046835
+C      6.06054719      2.73376996     -0.05003400
+H      2.93554547      2.99021991     -5.02514717
+H      4.52727035      2.78709074     -4.19332989
+H      3.58896516      4.28754970     -3.94918327
+H      2.73176233      2.20961633     -1.04457487
+H      3.75922663      5.16541525      0.20119748
+H      5.47507011      5.34509021     -0.29055349
+H      5.05368756      4.73643585      1.34981892
+H      6.02522077      1.69175401     -0.39379913
+H      6.35412040      2.74179257      1.00895234
+H      6.82293205      3.27879872     -0.64339304 
+
+17
+-1631.3753186534045 11.183143 11.99625 -8.2738 -6.3541 -9.326 0.8735 -0.0416 1.025 8.45093 -0.44342 5.1541848102 5.7399814644 0.163451608
+C      2.56361892     -0.47998230      0.12680512
+O      3.86940468      0.04725540      0.36153485
+C      4.12638985      1.29212457     -0.18886387
+N      3.32893774      2.02927479     -0.88032121
+N      5.40654026      1.70066911      0.13354318
+C      6.44018758      0.74208771      0.50329484
+C      5.88317112      2.93355150     -0.47831899
+H      2.55702754     -1.47122171      0.59409839
+H      2.35933212     -0.58321937     -0.95079881
+H      1.78640054      0.14566785      0.59429993
+H      2.39188378      1.62842225     -0.94540531
+H      6.01674186     -0.06352205      1.10931985
+H      7.20477265      1.26277425      1.09754020
+H      6.93529337      0.29957334     -0.38246920
+H      5.04951921      3.63693417     -0.56432287
+H      6.29494103      2.76181711     -1.49043296
+H      6.67239776      3.36138336      0.15590685 
+
+15
+-1500.898233420154 11.736451 12.00541 -8.175 -6.216 -8.763 0.806 -0.1141 0.644 8.1208 -0.10231 5.2097801326 5.2814812364 0.380342818
+C      1.09023090      0.08961594     -0.55878832
+O      2.50548954      0.15936732     -0.36669326
+C      3.00353835      1.39601714     -0.00295201
+N      2.38888413      2.50186039      0.19072201
+N      4.37324179      1.26845713      0.13577059
+C      5.21767430      2.31316610      0.49224690
+C      6.54931470      2.20783255      0.63224427
+H      0.88203345     -0.94783664     -0.84144503
+H      0.76331008      0.76124851     -1.36813002
+H      0.54868327      0.33121511      0.36932303
+H      1.38130018      2.42280921      0.04600095
+H      4.75921611      0.34520060     -0.04037835
+H      4.67906215      3.24812148      0.65040212
+H      7.08332964      1.26922864      0.47292537
+H      7.13242140      3.08092653      0.91439175 
+
+13
+-1312.8390855633463 11.705229 11.37214 -7.9212 -6.0957 -8.7 0.9303 -0.7726 -0.01 8.26298 0.48617 4.0790402112 11.2561434016 0.564274846
+C      1.59943908     -0.50992536     -0.40778720
+O      1.41119210      0.90204458     -0.21786971
+C      2.53854446      1.70122126     -0.13819163
+N      2.40871643      2.97086678      0.08333316
+N      1.13128156      3.45607095      0.15312868
+C      3.82961045      1.13361285     -0.29198679
+C      4.91623501      0.60020378     -0.42074133
+H      2.15954647     -0.95278243      0.42844209
+H      2.12563108     -0.71498375     -1.35107225
+H      0.59063138     -0.93591274     -0.44572096
+H      1.11224293      4.32101891      0.68729080
+H      0.41195531      2.78169094      0.43111185
+H      5.88247376      0.15510423     -0.54109672 
+
+12
+-1227.4328969722435 10.466414 10.87228 -8.8329 -6.9174 -9.817 0.9109 -0.884 -0.278 9.29074 0.79893 4.1205631226 11.029422602 0.342785245
+C      0.97152684      0.02707021     -0.47831763
+O      2.40236599      0.17005445     -0.30620967
+C      2.99776141      1.38258738     -0.13747860
+N      2.55576251      2.60147760     -0.07086548
+O      1.14826882      2.72905502     -0.19723763
+C      4.41735328      1.25111078     -0.00684823
+C      5.61732457      1.10324523      0.09940381
+H      0.82318740     -1.05209227     -0.59595883
+H      0.62617326      0.55469826     -1.37446361
+H      0.42905150      0.38844049      0.40247862
+H      1.04814514      3.69356698     -0.12020180
+H      6.67675928      0.98040588      0.19382905 
+
+14
+-1430.7630516437732 9.615107 10.73162 -9.8535 -7.6745 -11.22 1.4777 -0.2087 0.068 10.28759 0.56414 4.387492582 11.996017458 0.290132237
+C      3.39015892     -1.08994367     -0.69425374
+O      4.28857820      0.04064898     -0.77380638
+C      4.60556278      0.59618341      0.43246039
+O      4.18509369      0.19643844      1.49995535
+C      5.51386441      1.77112477      0.23244919
+C      5.48453530      2.88401318      1.23003036
+N      6.58992486      1.92016335      1.24730815
+H      3.22920186     -1.40752083     -1.72921575
+H      2.44322841     -0.79492009     -0.22420642
+H      3.84415997     -1.89762883     -0.10587124
+H      5.73742416      2.01593865     -0.80734733
+H      4.79914097      2.78672432      2.07439195
+H      5.65076876      3.89572074      0.85200405
+H      7.40926771      2.32260757      0.78010141 
+
+18
+-1685.3218742510717 10.808099 11.87839 -9.367 -7.0158 -10.587 0.9857 0.0224 3.31 9.94001 -3.11128 8.7440382584 13.343187341 0.117719509
+C      2.32558906      1.83918226      1.99397969
+O      2.52616721      2.63267355      0.82059355
+C      3.09757149      1.90305774     -0.24401939
+O      4.41645702      1.45327470     -0.00945095
+C      5.37486870      2.52487595      0.08007113
+C      6.73457028      1.91259066      0.35790108
+N      6.74817841      1.27780015      1.68321675
+H      1.79565645      2.47369702      2.71460707
+H      3.28208479      1.51033546      2.43026154
+H      1.70812770      0.95018997      1.76809754
+H      3.06325652      2.58982689     -1.10909356
+H      2.51748369      0.98423667     -0.44839875
+H      5.09511544      3.21355953      0.89435859
+H      5.39106368      3.08495725     -0.87475527
+H      7.47681954      2.72678439      0.35274599
+H      6.98761366      1.22956219     -0.47829812
+H      6.09108842      0.49318981      1.67589102
+H      7.67070794      0.87896583      1.86820208 
+
+16
+-1583.0674666159027 10.221928 11.588 -9.4905 -7.1512 -10.864 0.916 -0.0953 0.129 10.34793 0.51319 4.4327722692 12.8071462686 0.187166462
+C      1.88646943      1.20866724     -1.41593068
+O      3.10294595      0.98647503     -0.66506129
+C      4.01157514      2.00222283     -0.73912615
+O      3.82072688      3.02755155     -1.36789017
+C      5.26093857      1.65885405      0.04132391
+C      6.23416737      2.82949508      0.15595351
+N      7.48210062      2.37727034      0.78925950
+H      1.29430034      0.29751283     -1.28525165
+H      2.11399057      1.37640723     -2.47670294
+H      1.34723311      2.08130407     -1.02441824
+H      5.75838462      0.81053652     -0.45673084
+H      4.95984069      1.28578870      1.03381727
+H      5.73298166      3.66838459      0.67615649
+H      6.47327450      3.19054036     -0.85479381
+H      7.31998747      2.17289526      1.77923272
+H      8.17088308      3.13229435      0.76811236 
+
+14
+-1453.5289184213937 11.031518 11.33063 -8.4661 -6.5311 -9.231 0.9958 -0.6347 -0.387 8.67744 1.02766 4.313720912 4.7081451752 0.365217312
+C      1.15545716      0.46809265     -0.56982445
+O      2.55155572      0.31379786     -0.25012055
+C      3.27824070      1.48400317     -0.30257893
+O      2.77392480      2.56167545     -0.59919875
+C      4.67488405      1.22922124      0.03330512
+C      5.55613223      2.26178598      0.03082651
+N      6.87876143      2.20485567      0.36572236
+H      0.72589422     -0.53687669     -0.49660719
+H      1.02992261      0.86895316     -1.58490373
+H      0.66645244      1.14907220      0.14036858
+H      4.97100092      0.20846276      0.27919001
+H      5.18158917      3.25647627     -0.22570241
+H      7.33096574      1.30134211      0.46334908
+H      7.48307881      2.97705818      0.11425437 
+
+16
+-1583.705983686456 10.162884 11.2355 -9.3636 -7.1208 -10.77 1.1055 -0.1146 0.186 10.25118 0.45418 4.4392319398 12.1393576726 0.176636268
+C      1.94580052     -0.00831969      0.45683179
+O      3.37150141      0.21869787      0.56961590
+C      3.83528256      1.28253837     -0.13592744
+O      3.12931193      2.01753951     -0.80268780
+C      5.35193042      1.39789531     -0.02878636
+C      5.98734756      0.45198224     -1.07126868
+N      5.71010242      2.81067768     -0.16720611
+H      1.74098771     -0.88253566      1.08250325
+H      1.67020420     -0.20372329     -0.58761630
+H      1.39103600      0.86723993      0.81707819
+H      5.64005093      1.04908115      0.97650503
+H      5.67585013      0.73300993     -2.08791946
+H      5.70674593     -0.59583876     -0.88997710
+H      7.08289375      0.52434199     -1.01195864
+H      5.14330766      3.21853136     -0.91738686
+H      6.69026687      2.89419206     -0.44320943 
+
+14
+-1433.374463300973 9.606891 10.65949 -9.6754 -7.6606 -10.96 1.031 -0.0452 0.34 10.24427 0.27414 4.7197998592 12.909918264 0.201123183
+C      1.82610481     -0.66953900     -0.71814175
+O      2.99143582     -0.03770177     -1.29095452
+C      3.50013720      0.97796369     -0.53494307
+O      3.06057367      1.32951254      0.54638742
+N      4.53926887      1.60495633     -1.22497797
+C      5.77016479      0.91347406     -1.60182147
+C      5.76633567      1.97303437     -0.53682548
+H      1.54653977     -1.45545752     -1.42748618
+H      1.01052331      0.05710105     -0.60624806
+H      2.06031016     -1.09948265      0.26465016
+H      6.14708364      1.14090653     -2.60105510
+H      5.88278638     -0.12478309     -1.28014930
+H      5.86758055      1.65240696      0.50235904
+H      6.14456538      2.97169850     -0.76336372 
+
+16
+-1586.0857235463143 10.302569 11.32488 -8.962 -6.999 -10.161 0.8701 -0.0536 0.511 9.3592 0.10712 4.873331723 5.9138594308 0.150556417
+C      1.59732939      2.43935388     -1.24408011
+O      2.98942167      2.40715498     -0.87347828
+C      3.43364166      1.15726894     -0.50638027
+O      2.71911592      0.16071599     -0.50971269
+N      4.75394699      1.18378835     -0.13537427
+C      5.40723526     -0.06806459      0.21316675
+C      5.59921074      2.36733858     -0.19493246
+H      1.39426715      3.48346513     -1.50640523
+H      0.96252484      2.12262710     -0.40590115
+H      1.40749064      1.78263894     -2.10331635
+H      4.66042620     -0.86780719      0.20313710
+H      5.85628831      0.00173935      1.21704174
+H      6.20579518     -0.30630177     -0.50972428
+H      4.98727635      3.25971091     -0.34330159
+H      6.32837332      2.29199588     -1.02073239
+H      6.15839638      2.47050551      0.74855347 
+
+14
+-1454.1281532520802 10.801223 11.29609 -8.732 -6.7047 -9.237 1.5517 -0.134 0.117 8.72045 0.50043 4.868620255 5.28118367 0.306171983
+C      4.28019019     -1.92974052      0.86684927
+O      4.96522967     -0.81419873      0.25878061
+C      4.13383794      0.20019505     -0.13537883
+O      2.92099549      0.20639160     -0.01140852
+N      4.89263420      1.20796904     -0.69465251
+C      4.33448319      2.37916125     -1.20297112
+C      5.03376899      3.37974962     -1.75877788
+H      5.06187764     -2.66613026      1.07946154
+H      3.53272326     -2.34572289      0.17918117
+H      3.78239288     -1.61735636      1.79439500
+H      5.89933710      1.06706559     -0.73409682
+H      3.24890939      2.40197538     -1.10180227
+H      6.12016702      3.35217758     -1.85739938
+H      4.51376303      4.25924365     -2.13028028 
+
+16
+-1526.5386242111213 10.9453 11.55987 -9.3263 -7.3016 -10.531 1.5057 -0.2684 0.459 10.05426 0.14579 5.4583472654 6.5053222452 0.377442022
+C      2.71916519      0.25786655     -1.54994481
+O      2.87838658     -0.17390420     -0.19367382
+C      2.95103685      0.86868989      0.73768606
+O      4.22334579      1.52602223      0.78703558
+N      4.22294514      2.65369423     -0.07772917
+C      5.37485880      3.21865047     -0.09348141
+C      5.59350770      4.43462521     -0.92998710
+H      2.52824657     -0.64582379     -2.14167181
+H      3.62399669      0.75974003     -1.92529881
+H      1.86367671      0.94904148     -1.64657412
+H      2.84192952      0.39978626      1.72428653
+H      2.17603512      1.63438207      0.55387650
+H      6.20300422      2.81334805      0.50513270
+H      4.67192660      4.71622083     -1.45390645
+H      6.38781955      4.25664821     -1.67161824
+H      5.92379898      5.27980247     -0.30615164 
+
+14
+-1402.895975761888 9.930534 10.52514 -9.1959 -7.2892 -10.354 0.9351 -0.1886 0.395 9.66525 0.28916 4.3221395614 12.338342804 0.248985846
+C      3.00888260      0.46939647      2.12022631
+O      2.78029725      0.71944106      0.71617965
+N      3.19994165      2.00522565      0.37786129
+C      2.33355413      3.11522074     -0.07399137
+C      3.60823678      3.71560407     -0.71846012
+C      4.32850647      2.39030811     -0.34520688
+O      5.39736716      1.86796937     -0.56999330
+H      2.62775420     -0.54464097      2.29215216
+H      2.45621832      1.18784347      2.74483777
+H      4.08269489      0.51073280      2.35203941
+H      1.87292521      3.68289870      0.74603746
+H      1.57300844      2.79510687     -0.80102841
+H      3.54744054      3.86545054     -1.80260800
+H      4.01769236      4.60642311     -0.22916594 
+
+14
+-1462.7182816208497 10.913318 10.99018 -8.2386 -6.2596 -8.162 0.9178 0.0356 0.935 7.68201 -0.36823 4.8628177102 6.2543745812 0.464206727
+C      2.86949347     -0.95890920      0.80039358
+O      2.83560217     -0.17962556     -0.41728154
+N      3.38554245      1.07915031     -0.20150401
+C      2.66094196      2.18477704      0.17717202
+C      3.55911381      3.23956379      0.23781725
+C      4.84415803      2.73927655     -0.11775100
+C      4.71262179      1.38596424     -0.39019322
+H      2.41865198     -1.92097260      0.52917327
+H      2.27902919     -0.47413200      1.59217843
+H      3.90504397     -1.10887263      1.14063014
+H      1.59226438      2.11782031      0.34628692
+H      3.30898641      4.26317686      0.49979746
+H      5.76837677      3.30570456     -0.18057732
+H      5.41810361      0.62836834     -0.71189199 
+
+13
+-1335.0028313402884 10.117541 10.2657 -9.0867 -7.1659 -9.304 1.0452 0.086 0.313 8.63639 0.19977 5.0027483098 6.634304881 0.305069359
+C      3.04074388     -0.95896745      0.73740181
+O      2.61637054     -0.03962334     -0.29811975
+N      3.23620530      1.18573717     -0.13538128
+C      2.57985112      2.34630535      0.13414094
+C      3.56323527      3.32962475      0.10917966
+C      4.75864297      2.63831972     -0.18216346
+N      4.55112873      1.31693805     -0.34205459
+H      2.52905019     -1.89680928      0.49476786
+H      2.72691970     -0.59594487      1.72805428
+H      4.12938644     -1.09641930      0.70279343
+H      1.50955282      2.36376991      0.30455912
+H      3.42604250      4.39233848      0.27867207
+H      5.76530054      3.03299080     -0.28760010 
+
+13
+-1341.4908194797777 10.049885 10.16654 -8.8334 -6.7945 -8.562 0.8129 -0.0963 0.636 8.12204 0.01303 4.807867115 6.5619342528 0.342665274
+C      2.91120161     -0.94248473      0.81268470
+O      2.86100738     -0.17411317     -0.41288101
+N      3.37861224      1.10138231     -0.20698708
+C      2.64788942      2.20612214      0.18433349
+C      3.56815155      3.23317867      0.17919203
+N      4.81519632      2.78228036     -0.20606053
+C      4.67235608      1.48648792     -0.43789582
+H      2.48191877     -1.91559273      0.54715063
+H      2.30821573     -0.46565453      1.59947912
+H      3.94943564     -1.06660280      1.15410849
+H      1.58727973      2.14249130      0.39774998
+H      3.39680707      4.27736612      0.42563665
+H      5.43104846      0.78699913     -0.77563064 
+
+15
+-1463.9628220009552 10.533567 10.83963 -8.7737 -6.7955 -9.754 1.5828 -0.0923 0.706 9.19619 -0.11176 4.9799968788 6.0761323076 0.134810294
+C      2.30620356     -0.68475962     -0.11995020
+O      2.97824937      0.45520449     -0.67017587
+N      2.87201662      1.55443372      0.25299732
+C      4.17228716      1.92082065      0.86184354
+C      3.97265508      3.44156439      1.04538993
+N      2.97404821      3.83708010      0.02369906
+C      2.43934022      2.74045405     -0.37366386
+H      2.46101812     -1.48742413     -0.85245283
+H      1.22869757     -0.49508585      0.00506865
+H      2.74108330     -0.98021080      0.84834630
+H      4.98090647      1.69264946      0.14623555
+H      4.34220024      1.37684547      1.79912524
+H      4.89529215      4.02573523      0.92955661
+H      3.55659331      3.66309329      2.04216910
+H      1.64102862      2.66856955     -1.11480854 
+
+16
+-1578.2558003592876 11.964647 12.71227 -8.6814 -6.712 -10.037 1.4003 -0.169 0.563 9.51411 0.07009 5.4664683484 6.2276679968 0.293253733
+C      1.58839532     -0.26951926     -0.77853683
+O      2.77128611     -0.11381528      0.01082857
+N      3.29781563      1.17876029     -0.22539580
+C      4.36480239      1.37000810      0.46619666
+C      5.08348226      2.64766312      0.37860124
+C      5.76893126      3.20113024      1.62034124
+C      6.60127947      2.65681280      0.49648816
+H      1.22638189     -1.28233684     -0.56171213
+H      1.81317912     -0.17440370     -1.85217695
+H      0.82311900      0.46993263     -0.49555450
+H      4.75307656      0.58332194      1.13164219
+H      4.63591091      3.37196861     -0.30324292
+H      5.69620495      2.61348466      2.53633844
+H      5.72812019      4.28032951      1.76757437
+H      7.14214961      3.35571674     -0.14143950
+H      7.09794534      1.69698645      0.64380776 
+
+15
+-1446.2210383248946 11.394843 12.01367 -8.9261 -6.93 -10.258 1.299 -0.3535 0.437 9.76198 0.18582 5.4264208704 6.2920663252 0.279531723
+C      5.42417165     -0.87912610     -1.25724345
+O      5.75993820      0.16142781     -0.33248269
+N      4.84334909      1.21949066     -0.49604021
+C      5.11756296      2.19524134      0.29354913
+C      4.25702928      3.39084794      0.28347516
+C      3.96308105      4.14427642      1.54339687
+N      4.94283119      4.67813209      0.58484922
+H      6.16513575     -1.66937494     -1.08478586
+H      5.49349381     -0.52168606     -2.29569242
+H      4.41169708     -1.26567939     -1.06546364
+H      5.97802015      2.16942613      0.97635961
+H      3.47405240      3.38062822     -0.47947692
+H      4.39190161      3.79778840      2.48693233
+H      2.97679508      4.60826120      1.62530213
+H      4.51686069      5.42066628      0.02162074 
+
+14
+-1377.8652849759121 10.728585 11.32811 -9.2112 -7.2367 -10.515 1.0115 -0.7294 0.167 10.04026 0.42331 5.330220133 6.280820795 0.274365462
+C      2.75030021     -1.09018294     -0.34110077
+O      3.89345118     -0.42623284      0.21634043
+N      3.78309036      0.94795155     -0.03499962
+C      4.80130889      1.58990931      0.41802939
+C      4.83820976      3.05210403      0.25435582
+C      5.60655615      3.90094143      1.18958202
+O      6.12848556      3.61291641     -0.11487792
+H      2.89275624     -2.15202948     -0.10789834
+H      2.70724111     -0.94706923     -1.43061294
+H      1.82141642     -0.72404587      0.12023813
+H      5.64335161      1.08378947      0.90893438
+H      3.98008293      3.48739544     -0.26749694
+H      6.14136868      3.43287225      2.02346490
+H      5.27935089      4.93345047      1.35186148 
+
+16
+-1586.1418994123426 12.857383 12.64412 -8.48 -6.5991 -9.31 0.4423 -1.1334 -0.329 8.71951 0.84667 5.1507379994 5.229791473 0.627882058
+C      4.31092856     -0.76048602     -0.97473558
+O      5.52882341     -0.02731671     -0.78627819
+N      5.20256556      1.30456515     -0.49079543
+C      6.27375529      2.02803479     -0.31306940
+C      7.66490916      1.47607266     -0.42084897
+C      5.99066367      3.42352519      0.00434467
+C      6.89518656      4.39043074      0.24635814
+H      4.62109373     -1.78706652     -1.20362811
+H      3.73103104     -0.34525411     -1.81226791
+H      3.70100652     -0.74509197     -0.05933952
+H      7.80205205      0.98541134     -1.39470361
+H      7.82566761      0.70242513      0.34423342
+H      8.42554229      2.25386421     -0.30257568
+H      4.92381903      3.66100232      0.04073322
+H      7.97116907      4.21222885      0.22630571
+H      6.57161646      5.40513493      0.47660725 
+
+14
+-1425.1319023558674 12.177872 12.40723 -8.8126 -6.8687 -9.546 0.3893 -1.2281 -0.143 8.99932 0.70572 3.931968018 11.3084778922 0.435340648
+C      1.70852576     -0.61718141     -0.66998547
+O      3.11599587     -0.42445599     -0.46115838
+N      3.35445933      0.94434789     -0.29234071
+C      4.62482262      1.16641963     -0.09925526
+C      5.68122639      0.09309053     -0.06490790
+C      4.99954347      2.52603506      0.08813191
+C      5.40850865      3.65938373      0.25804642
+H      1.57951379     -1.69919215     -0.79120520
+H      1.37509817     -0.09153367     -1.57625601
+H      1.13522228     -0.26169601      0.19817570
+H      5.45567616     -0.63211844      0.73015934
+H      6.67097522      0.52717004      0.10601398
+H      5.68254698     -0.46449750     -1.01250529
+H      5.74285530      4.66577830      0.40522687 
+
+16
+-1586.451049427832 13.604515 13.39936 -8.3504 -6.4506 -9.075 0.4977 -1.0669 -0.334 8.50764 0.9039 5.0169199096 5.0169199096 0.666563451
+C      1.86154835     -0.73579986     -0.68306862
+O      3.20742693     -0.53606168     -0.23462085
+N      3.50918059      0.83417456     -0.31274535
+C      4.72126659      1.05786215      0.08397654
+C      5.23989605      2.40490927      0.08494992
+C      6.49199670      2.71554204      0.48275143
+C      7.06850237      4.09337570      0.49885296
+H      1.68573146     -1.81514373     -0.59919017
+H      1.74462918     -0.41558516     -1.72944064
+H      1.15015806     -0.18790218     -0.04683469
+H      5.36064236      0.22925208      0.42112581
+H      4.55771334      3.18811017     -0.26049428
+H      7.14763900      1.90492903      0.82240901
+H      6.34586614      4.84096113      0.14482599
+H      7.96754512      4.15430433     -0.13607562
+H      7.38951777      4.37705216      1.51449855 
+
+18
+-1724.2075605604584 12.295297 13.1813 -9.0276 -7.0192 -10.321 1.441 -0.17 0.63 9.78924 0.01517 5.4980723798 6.4514379296 0.23390685
+C      2.09322234     -0.71030602     -1.46849121
+O      3.01675312     -0.35617830     -0.43415715
+N      3.56699995      0.91218106     -0.73939098
+C      4.40254616      1.28246321      0.16053031
+C      5.11067984      2.60146711      0.04086282
+C      4.74943034      3.51229817      1.22677678
+C      6.63106689      2.38613232     -0.05177577
+H      1.70489003     -1.69655793     -1.18514691
+H      2.59718919     -0.77376920     -2.44516754
+H      1.26617132      0.01402741     -1.52674278
+H      4.61325178      0.64175241      1.03142396
+H      4.75903015      3.07236228     -0.89127800
+H      5.05161503      3.05603149      2.18253350
+H      3.66822331      3.70297707      1.26778475
+H      5.26678745      4.47887087      1.13949851
+H      7.01448305      1.88006411      0.84814960
+H      7.15058018      3.35152917     -0.13923855
+H      6.89425989      1.77318477     -0.92475133 
+
+16
+-1585.876098853054 12.917267 12.71745 -8.5677 -6.6665 -9.28 0.3662 -1.2138 -0.388 8.67075 0.9173 5.126573128 5.147092811 0.627189234
+C      3.02883512     -1.21975576      0.02634632
+O      3.92795376     -0.35251680      0.72928042
+N      4.05100471      0.84686825      0.01234923
+C      4.86048251      1.65834962      0.61022067
+C      5.14060893      2.97178396      0.04496339
+C      4.46660359      3.35863537     -1.24354669
+C      5.99298556      3.79269320      0.69711361
+H      2.96784222     -2.12891327      0.63673555
+H      3.41957273     -1.46309585     -0.97315401
+H      2.03317099     -0.76069880     -0.06613009
+H      5.34843405      1.36929501      1.55150081
+H      4.72081269      2.64872084     -2.04396019
+H      4.76455643      4.36802855     -1.55297856
+H      3.37276395      3.32509574     -1.13560462
+H      6.47055444      3.49055157      1.63085977
+H      6.23111832      4.78419837      0.31041440 
+
+14
+-1428.5415132592507 13.000237 13.53251 -8.6143 -6.6831 -9.286 0.4518 -1.187 -0.16 8.7653 0.73585 3.6598063494 5.849597487 0.358231477
+C      1.10270791     -0.09805661     -0.68910157
+O      2.48511552     -0.10392731     -0.30668265
+N      2.97615530      1.20584717     -0.38009788
+C      4.22806389      1.23203858     -0.03800711
+C      4.94878955      2.44630861     -0.03227597
+C      5.64314348      3.44860101     -0.00051482
+C      6.44871746      4.65554598      0.02862648
+H      0.77800683     -1.14265835     -0.61228694
+H      0.98476986      0.25903386     -1.72277611
+H      0.51165807      0.53222390     -0.00845137
+H      4.74435184      0.30608430      0.25267270
+H      5.82126909      5.55101343     -0.08935314
+H      7.19204327      4.65505947     -0.78315790
+H      6.99319792      4.74568595      0.98057629 
+
+16
+-1578.3485142203272 12.417435 12.97342 -9.1269 -7.1142 -9.771 1.0356 -0.6315 0.305 9.24003 0.26553 5.4270903948 6.10073113 0.503829951
+C      7.12144522      2.07621146      0.00246326
+O      6.20315853      2.88699315     -0.74009441
+N      4.94133181      2.82612185     -0.11146793
+C      4.07646994      3.54126119     -0.73479640
+C      2.66983133      3.62273731     -0.21491591
+C      2.31104477      5.02537939      0.20849707
+C      1.34303724      5.76576422     -0.34207439
+H      8.07644099      2.16021951     -0.53025055
+H      6.79443210      1.02550373      0.02265264
+H      7.23308918      2.44811868      1.03240664
+H      4.35155082      4.11470449     -1.63138614
+H      2.58176795      2.93048588      0.63740829
+H      1.96927282      3.28658141     -0.99795157
+H      2.91449269      5.44213721      1.02205618
+H      0.72553720      5.38241844     -1.15868607
+H      1.13040741      6.77670209      0.00825927 
+
+14
+-1420.9701958697826 11.734834 12.56982 -9.3281 -7.2927 -10.033 1.2292 -0.4873 0.359 9.64793 0.26074 4.3656834446 10.7500325496 0.562743676
+C      1.50540736     -0.48269156     -0.78278373
+O      2.84830392     -0.32474056     -0.30700020
+N      3.19963357      1.03526974     -0.39804904
+C      4.40289243      1.23289907     -0.00247736
+C      4.94293253      2.63894133     -0.01174280
+C      6.19101335      2.75173428     -0.76235351
+C      7.22984899      2.82320387     -1.38494992
+H      1.28950045     -1.55330613     -0.68387107
+H      1.42274324     -0.17914419     -1.83714773
+H      0.79983745      0.10058397     -0.17223109
+H      5.04580990      0.41115484      0.33861408
+H      5.12083939      2.96724395      1.02826980
+H      4.17631871      3.30768577     -0.43239919
+H      8.14350871      2.89668560     -1.93851825 
+
+17
+-1596.026531192409 11.884389 12.71792 -9.0975 -7.0408 -10.387 1.4804 -0.2265 0.551 9.89063 0.07812 5.4523339444 12.487064011 0.215427121
+C      2.07505180     -0.15038207     -2.22447946
+O      2.91102957     -0.07151966     -1.06471215
+N      3.59043937      1.16769096     -1.08568130
+C      4.35856099      1.29236101     -0.06446637
+C      5.17788766      2.53015298      0.10730474
+C      6.68828437      2.24849508      0.05724821
+N      7.44030985      3.47047992      0.37517198
+H      1.56469417     -1.11833311     -2.14833042
+H      2.67399764     -0.11494793     -3.14748202
+H      1.33451043      0.66373100     -2.23382083
+H      4.42881551      0.48755728      0.68272943
+H      4.95310603      2.99450235      1.08235929
+H      4.89939580      3.25059720     -0.67724356
+H      6.93162328      1.80331663     -0.92799145
+H      6.94075836      1.49290816      0.81929318
+H      7.31990889      4.15585794     -0.37573621
+H      8.44068629      3.26274227      0.40949696 
+
+17
+-1600.5912234985262 11.666013 12.33799 -8.9007 -6.919 -10.109 1.0427 -0.2441 0.738 9.51712 -0.04022 5.5080284556 6.3327337332 0.220129733
+C      5.85805173     -0.86251564      0.00710548
+O      6.31389385      0.37177122     -0.55511784
+N      5.44331051      1.40143154     -0.12255434
+C      5.81875559      2.55449603     -0.56651166
+C      7.03108435      2.80317571     -1.41230079
+C      4.92336934      3.70823864     -0.18473777
+N      5.68268723      4.72355095      0.56616476
+H      5.89154894     -0.83334826      1.10721699
+H      6.55000031     -1.62763193     -0.36698999
+H      4.83282480     -1.09134600     -0.32230812
+H      6.87337005      2.40657792     -2.42792682
+H      7.90531885      2.27762055     -1.00362967
+H      7.24129867      3.87761538     -1.46423676
+H      4.04106191      3.29829058      0.33876932
+H      4.56600869      4.18737734     -1.11338221
+H      5.88267874      4.37116042      1.50588835
+H      5.11314643      5.56378555      0.68545107 
+
+13
+-1333.332872272505 10.846212 11.19645 -9.7025 -7.7549 -10.54 -0.1159 -1.8661 -0.922 10.02274 1.33891 4.8176992048 11.7391680604 0.268522885
+C      1.72790318     -0.72541360     -0.22905798
+O      3.14562825     -0.48715594     -0.12837920
+N      3.37403733      0.87922404     -0.17481509
+C      4.64767955      1.13595144     -0.09467814
+C      5.74323341      0.11579585      0.02953961
+C      4.98345760      2.52671400     -0.12996018
+N      5.34040136      3.64038867     -0.15134636
+H      1.61820414     -1.81489606     -0.18778381
+H      1.34119151     -0.33805635     -1.18129193
+H      1.20020538     -0.25578603      0.61197074
+H      5.67634718     -0.60672397     -0.79585029
+H      5.62276717     -0.45114780      0.96405530
+H      6.72754395      0.59355575      0.02040733 
+
+15
+-1466.2254025064885 13.526367 12.64947 -7.5297 -5.6883 -8.549 0.9759 -0.5655 -0.25 7.95926 0.84043 4.589651755 4.589651755 0.552959822
+C      1.79330536     -0.69939430      0.23889394
+O      3.13905965     -0.42647320     -0.15482114
+N      3.37181198      0.96386045     -0.00743877
+C      4.58641313      1.25149127     -0.36034933
+C      5.06812765      2.60256602     -0.31025062
+C      6.33286338      2.93058888     -0.68293720
+N      6.90707420      4.18491594     -0.59483104
+H      1.66269437     -1.78055818      0.10450944
+H      1.07627745     -0.15412386     -0.39519767
+H      1.62612751     -0.43016132      1.29388616
+H      5.26216550      0.45532495     -0.70858733
+H      4.37439273      3.36946451      0.04576187
+H      7.01449474      2.15110339     -1.03482299
+H      6.27395015      4.97211734     -0.47808084
+H      7.68253219      4.37873811     -1.21985448 
+
+17
+-1596.9957710336234 11.719259 12.32251 -9.1136 -7.0483 -10.361 1.0568 -0.4065 0.572 9.90099 0.06835 5.4359305966 6.441382665 0.215409435
+C      3.59396255     -0.68915942      1.18590156
+O      4.43699003      0.04501778      0.29117178
+N      4.57472602      1.36147059      0.78255863
+C      5.33608075      2.06043661      0.02389742
+C      5.62934335      3.50560931      0.33624544
+C      4.99550275      4.00019540      1.63996803
+N      7.09211656      3.68390554      0.23341903
+H      3.52363421     -1.69574465      0.75589884
+H      2.59206398     -0.23715259      1.24686453
+H      4.03631780     -0.74293853      2.19256476
+H      5.80969030      1.63264562     -0.87030819
+H      5.20150391      4.08853471     -0.50292961
+H      5.39064278      3.44147283      2.50066324
+H      3.90433412      3.87029574      1.63338219
+H      5.22074554      5.06684022      1.78176145
+H      7.54266598      3.23264139      1.03563417
+H      7.31820937      4.67947945      0.29925671 
+
+13
+-1331.118923267035 10.579053 11.36965 -9.7762 -7.7396 -10.786 0.8137 -0.9817 -0.088 10.30232 0.64219 5.3281371682 12.0761000154 0.258966295
+C      1.75333504     -0.62272811      0.78041542
+O      3.05445760     -0.35011649      0.23533607
+N      3.33768904      1.00955354      0.40061826
+C      4.49979147      1.30660687     -0.05320304
+C      4.93959499      2.74514132      0.02614044
+C      6.20530423      2.90260558      0.74391271
+N      7.21985051      3.01970890      1.30657069
+H      1.59295256     -1.69392216      0.61179189
+H      0.98102147     -0.03889932      0.25892270
+H      1.72678324     -0.40248513      1.85739419
+H      5.16820365      0.55730309     -0.49484694
+H      4.15808729      3.33425400      0.52747770
+H      5.07219890      3.16007791     -0.98769009 
+
+15
+-1452.7531620784266 11.736892 11.45115 -8.3158 -6.435 -8.824 1.3854 -0.2311 0.563 8.1342 -0.04941 4.9591548322 5.2999923462 0.413576318
+C      2.09938708      0.11651857     -1.26190268
+O      2.33765560      0.59884821      0.08333316
+N      2.91675661      1.87363938      0.02464100
+C      2.05731950      2.96607512      0.11902906
+C      0.71872968      2.91878024      0.20887795
+C      4.29982252      1.93166696      0.19727387
+N      5.12505509      0.96404840      0.33563138
+H      1.63621618     -0.86825025     -1.12714038
+H      3.04508089      0.01698916     -1.81459068
+H      1.41250193      0.78656452     -1.79904421
+H      2.60096765      3.91295019      0.09358819
+H      0.17536610      1.97737508      0.25707246
+H      0.15798743      3.84877803      0.25645834
+H      4.65754217      2.97024596      0.18224075
+H      4.61763157      0.06734043      0.36098179 
+
+17
+-1595.904166530995 11.222505 11.7936 -8.7702 -6.8618 -9.911 0.846 -0.1578 0.995 9.19376 -0.38747 4.9049233558 12.5733954628 0.172878775
+C      3.55945683      1.07877291     -0.44866893
+O      3.35747929      1.83364991     -1.65220554
+N      3.49909868      3.22928104     -1.34643788
+C      2.18749059      3.86251539     -1.49045814
+C      4.62309524      3.79143695     -2.00927287
+C      4.73642084      5.29104263     -1.88194177
+N      5.54416808      3.12561402     -2.60501649
+H      3.44091901      0.02834366     -0.74554777
+H      2.80593296      1.33281189      0.31460220
+H      4.56826425      1.24197719     -0.03933384
+H      1.48789087      3.38486127     -0.79306447
+H      1.79215539      3.77318126     -2.51714620
+H      2.26798963      4.92151321     -1.22110212
+H      4.54227001      5.63156513     -0.85523218
+H      4.02897840      5.80295417     -2.55130971
+H      5.75279828      5.57311736     -2.17497023
+H      5.27718164      2.13063201     -2.63027406 
+
+16
+-1530.657767026405 10.819198 11.43879 -9.3808 -7.3448 -10.556 1.2517 -0.5009 0.359 10.06422 0.27903 5.337287335 6.390176447 0.249370472
+C      6.09850269      0.32850114      0.35942554
+O      5.91755088      1.65583534     -0.14836869
+N      4.55167399      1.99236056     -0.06507978
+C      4.32434717      3.17777323     -0.50283329
+C      2.93177987      3.73419278     -0.50159276
+C      1.83222542      2.72051022     -0.17229051
+O      1.95458856      2.15883439      1.13140044
+H      7.16720819      0.11676087      0.23398030
+H      5.50324582     -0.39839198     -0.21375202
+H      5.83032546      0.27129638      1.42582961
+H      5.15365557      3.80151706     -0.86725368
+H      2.73487892      4.17765227     -1.49386732
+H      2.89313427      4.57345290      0.21637487
+H      1.82448532      1.93008309     -0.94739669
+H      0.85473577      3.22423465     -0.20144123
+H      2.81873209      1.69811709      1.12536522 
+
+16
+-1532.8971719081746 10.960992 11.65007 -9.1338 -7.1485 -10.302 1.1888 -0.3733 0.519 9.73118 0.16717 5.4514040494 6.3086184562 0.224706709
+C      1.56902698     -0.40749684      0.39929595
+O      2.98695790     -0.31858857      0.21282202
+N      3.33551375      1.04480820      0.10396720
+C      4.60959986      1.19866822     -0.04678280
+C      5.61957449      0.09135571     -0.08203429
+C      5.06277651      2.62992866     -0.18070154
+O      5.95374406      3.01789293      0.87831698
+H      1.35062355     -1.48036481      0.46605713
+H      1.03248799      0.03301221     -0.45446212
+H      1.26111210      0.09654386      1.32803966
+H      5.51823047     -0.48499228     -1.01512715
+H      5.45274160     -0.61688272      0.74130270
+H      6.63648135      0.49547373     -0.01618664
+H      4.17878270      3.28567569     -0.23883895
+H      5.64947844      2.75245678     -1.10491252
+H      5.44600828      2.97309924      1.70854435 
+
+14
+-1404.582760300336 10.880346 11.00405 -9.7651 -7.7253 -10.781 -0.2512 -2.066 -1.539 10.27995 1.89542 3.2090428478 5.2929499414 0.352403644
+C      5.71842844     -0.39770628      1.00421626
+O      6.21894681      0.93386522      0.77322116
+N      5.16516663      1.76065981      0.42704870
+C      5.55695693      2.98229254      0.20986665
+C      6.95379162      3.49772251      0.30533869
+C      4.43276580      3.87323358     -0.16204361
+O      4.56517119      5.06390872     -0.41069852
+H      5.00034993     -0.39767415      1.83563260
+H      6.59988224     -0.99533885      1.26214438
+H      5.24257848     -0.79057799      0.09540880
+H      7.35688193      3.33237704      1.31476049
+H      6.96412299      4.56826853      0.07145790
+H      7.61124594      2.95829634     -0.39145232
+H      3.44233107      3.36191298     -0.19748118 
+
+16
+-1532.0637847950516 11.025255 11.69412 -9.4073 -7.3628 -10.519 1.1421 -0.5329 0.357 10.04045 0.27264 5.3685690028 6.379017707 0.235213387
+C      1.77237921     -0.58937797      0.47499580
+O      3.11987682     -0.31627764      0.06706262
+N      3.35493875      1.06320510      0.17707386
+C      4.53598370      1.39648560     -0.18801848
+C      4.91802036      2.84997079     -0.10814281
+C      5.44497132      3.36545298     -1.45080469
+O      3.83799621      3.66522023      0.33097137
+H      1.65892192     -1.67580722      0.37982851
+H      1.05123378     -0.07832926     -0.18072148
+H      1.60787322     -0.28509044      1.51953716
+H      5.26959755      0.66112709     -0.54338692
+H      5.74336644      2.91994514      0.63319257
+H      4.66814312      3.28082201     -2.22308665
+H      6.33333490      2.80138351     -1.77044695
+H      5.72261311      4.42248732     -1.34754463
+H      3.11239959      3.05014277      0.56508071 
+
+14
+-1404.9503138428022 10.883961 11.06863 -9.5491 -7.6163 -11.077 -0.3091 -2.1037 -1.466 9.92653 1.8087 3.2189121334 5.5907643134 0.342872547
+C      2.24304336     -0.62523980      1.07169317
+O      3.49488369     -0.26373640      0.45841902
+N      3.64881136      1.11275256      0.50412956
+C      4.76320900      1.48791896     -0.02749718
+C      5.10458288      2.93305620     -0.07125739
+C      4.12550924      3.93028194      0.50445725
+O      6.17436638      3.26741958     -0.57608283
+H      2.18701390     -1.71611998      0.98434523
+H      1.40347764     -0.15743076      0.53911808
+H      2.23208654     -0.32789956      2.12959796
+H      5.48617996      0.78315756     -0.45617500
+H      3.15702629      3.85616792     -0.01003249
+H      4.53634207      4.93900439      0.39329685
+H      3.93418769      3.71210738      1.56451776 
+
+14
+-1396.545321520146 10.594032 11.20733 -9.3338 -7.2639 -10.574 0.9579 -1.1004 -0.353 10.3864 0.98331 3.6486848052 12.1234502688 0.226500241
+C      4.33837831      2.77343562     -2.45208741
+O      4.27820807      3.54371976     -1.24446545
+N      3.98551103      2.68160060     -0.17324580
+C      3.87156654      3.33019174      0.92845698
+C      3.58129587      2.56939652      2.17985169
+C      2.38467423      3.07262684      2.96347183
+O      1.68373029      4.01287292      2.64540250
+H      4.61573757      3.48872422     -3.23561911
+H      3.35991630      2.32557555     -2.68313439
+H      5.10019137      1.98310409     -2.37713121
+H      3.97634067      4.42173499      0.96805065
+H      4.44194395      2.60278601      2.87683457
+H      3.42908638      1.50024525      1.95510107
+H      2.18564942      2.49887589      3.90601407 
+
+14
+-1398.3056363232345 10.759314 10.71022 -8.7799 -6.8405 -9.229 0.8298 -0.8676 -0.078 8.70789 0.72212 4.271627665 5.0738542808 0.29248297
+C      1.88622798     -0.22124753     -0.61925951
+O      2.40160859      0.57447999      0.47452402
+N      2.93134763      1.77912342     -0.01447736
+C      2.09036525      2.89066458     -0.10290031
+C      0.79254478      2.91179647      0.23227289
+C      4.30736294      1.81915917     -0.18770282
+O      4.92721985      2.81476304     -0.52985125
+H      2.69960432     -0.53660147     -1.29006047
+H      1.12287335      0.33319136     -1.18368375
+H      1.43639648     -1.09810876     -0.13810394
+H      2.63184660      3.75710441     -0.48505732
+H      0.28374466      2.03816765      0.63605608
+H      0.23013445      3.83558456      0.11996949
+H      4.75483312      0.82501310      0.02557424 
+
+16
+-1543.9846086715506 10.422667 11.12581 -9.073 -7.1608 -10.418 0.888 -0.1797 0.381 9.67771 0.28735 4.2343450748 12.2016730362 0.277557811
+C      2.43308233      4.31216575      0.17281999
+O      3.37865665      3.28456797     -0.16466578
+N      3.82487706      3.46365803     -1.50368834
+C      3.08602862      2.66113878     -2.46636779
+C      5.18646869      3.70548287     -1.66561894
+C      5.92913147      4.17082509     -0.43177374
+O      5.71583144      3.57774526     -2.76869478
+H      2.88832892      5.31228647      0.10197935
+H      2.14254928      4.10499015      1.21047724
+H      1.54085292      4.26668602     -0.47179813
+H      3.10551760      1.59602876     -2.18624565
+H      3.57459454      2.79456672     -3.43725936
+H      2.04535005      3.00624108     -2.52739880
+H      5.97380415      3.36575965      0.31462583
+H      5.43498685      5.02754902      0.04534054
+H      6.94216943      4.44958838     -0.73813165 
+
+17
+-1587.9784927516487 11.8807 12.34471 -8.4645 -6.5672 -9.568 1.1092 0.03 0.882 8.90654 -0.27933 4.7332027458 5.9312174708 0.208687781
+C      1.35126531     -0.08263934      0.15005023
+O      2.11049190      0.93437097      0.81448934
+N      2.75342557      1.75684400     -0.17782526
+C      2.07711123      3.04079439     -0.31224554
+C      4.13370283      1.74870444      0.00961867
+N      4.88175449      2.72714243     -0.33269957
+C      6.31424175      2.52591863     -0.22422109
+H      0.85942833     -0.64583104      0.95393902
+H      2.00234687     -0.75270238     -0.43356257
+H      0.58629501      0.35255471     -0.51344340
+H      1.05067251      2.87288117     -0.66036205
+H      2.63114973      3.62463291     -1.05570030
+H      2.06487870      3.59598635      0.63989492
+H      4.49032346      0.78941762      0.42558959
+H      6.75300693      3.32883302      0.38885813
+H      6.77808009      2.60090918     -1.22107217
+H      6.59979529      1.55025293      0.21676206 
+
+16
+-1531.4849423477133 10.759712 11.59484 -8.4473 -6.4881 -10.124 0.9816 0.1037 0.634 9.54758 -0.00361000000004 5.5820480976 9.6526324636 0.242180236
+C      4.03915663     -1.80240811     -0.51478378
+O      5.11089466     -1.01993781      0.01157082
+N      5.25335470      0.13104231     -0.81788796
+C      6.17139747      0.90735103     -0.34778774
+C      6.99262563      0.69487201      0.88219586
+O      6.46782571      2.05796094     -1.01054651
+C      5.71710185      2.30567804     -2.21428635
+H      3.97415429     -2.68235498      0.13777793
+H      4.24854982     -2.11843073     -1.54917868
+H      3.08846241     -1.24606918     -0.48791644
+H      6.34239753      0.43405187      1.72741703
+H      7.56742438      1.59825936      1.11219615
+H      7.68310504     -0.14828876      0.73665122
+H      6.09093063      3.26168515     -2.59606186
+H      4.64170857      2.36675269     -1.99466202
+H      5.88207067      1.50138617     -2.94555765 
+
+15
+-1442.9401504563414 11.210864 11.64656 -8.392 -6.4506 -9.852 1.2887 -0.1184 0.706 9.30423 -0.08892 5.5678640992 12.7299153892 0.24501046
+C      2.18864613      0.75039688      0.84923307
+O      3.09002694      1.66137130      0.21694095
+N      4.08927321      2.01898855      1.15956247
+C      4.92438947      2.84359694      0.62911258
+N      5.93055022      3.44403981      1.38845121
+C      6.54326743      2.69673333      2.48381905
+C      7.32097999      2.97993376      1.23607795
+H      1.44089884      0.50634696      0.08441513
+H      1.69791489      1.21675833      1.71787571
+H      2.70790696     -0.16690391      1.16950504
+H      4.85032173      3.17589218     -0.41376783
+H      6.18982961      1.67575106      2.64235917
+H      6.74058704      3.28009598      3.38481778
+H      8.07394965      3.77032437      1.22537403
+H      7.50007788      2.13874447      0.56107369 
+
+17
+-1592.7842073127115 12.006217 12.45078 -7.6899 -5.8236 -9.254 0.8897 -0.0887 0.792 8.48831 -0.17539 5.4652532856 12.8387626986 0.14892123
+C      2.10178312     -0.54567796      0.58642855
+O      3.49164666     -0.24691686      0.67895081
+N      3.64701821      1.16509901      0.50048974
+C      4.90891219      1.45153945      0.48560018
+N      5.36547128      2.75080087      0.47239594
+C      4.38242391      3.81668560      0.34209718
+C      6.66658715      3.00176996     -0.13093220
+H      2.02535143     -1.62945188      0.74373198
+H      1.69853099     -0.28463710     -0.40626930
+H      1.52694356     -0.01448700      1.36290705
+H      5.68211500      0.67391631      0.52884006
+H      3.54016289      3.61072920      1.01354383
+H      3.98449780      3.89543385     -0.68706966
+H      4.85238261      4.77036693      0.61741604
+H      7.34784928      2.17319423      0.10393426
+H      7.09096878      3.92602148      0.28653739
+H      6.61370513      3.10807390     -1.23163184 
+
+15
+-1460.0151993337452 13.051908 12.62039 -7.6897 -5.8562 -8.797 1.4675 -0.1548 0.401 8.09137 0.17424 5.0995565786 5.0995565786 0.486640928
+C      1.31482286     -0.16299367     -0.53885511
+O      2.73374288     -0.23179522     -0.39878995
+N      3.22164728      1.09214384     -0.21545744
+C      4.50425672      1.06403795     -0.07576520
+N      5.21172780      2.22891328      0.11301921
+C      6.58770988      2.29898410      0.27098987
+C      7.29929257      3.42598988      0.45100861
+H      0.98891139     -1.20024953     -0.68754951
+H      1.03015602      0.44714797     -1.41086448
+H      0.84435456      0.25040370      0.36766455
+H      5.08991277      0.13773829     -0.09902170
+H      4.66893323      3.09116839      0.13182053
+H      7.07817720      1.32327468      0.23711069
+H      6.83188866      4.41094869      0.48795613
+H      8.37852617      3.37013765      0.56535378 
+
+15
+-1456.092264639959 11.380497 11.52254 -9.2109 -7.2952 -9.717 0.4742 -1.2144 -0.144 9.07987 0.57059 4.6608693134 5.7557276864 0.603633148
+C      2.51013552     -0.72273962      0.38200150
+O      3.05520763      0.08102471     -0.67744028
+N      3.25253120      1.40712352     -0.19282900
+C      4.61000136      1.81679245     -0.26522520
+N      5.62183643      1.04957436     -0.46955721
+C      4.82679264      3.25567971     -0.01461323
+C      3.93312081      4.11330158      0.50106144
+H      2.41772438     -1.72973917     -0.04461525
+H      1.51840054     -0.35566298      0.68933633
+H      3.18308235     -0.74269461      1.25259849
+H      2.63735549      2.01903111     -0.73904640
+H      5.28543072      0.09161716     -0.65019034
+H      5.83346733      3.58526697     -0.28080459
+H      2.93857145      3.79753176      0.82150689
+H      4.18787215      5.16330304      0.64631685 
+
+13
+-1294.953004492733 11.018663 11.35335 -9.3739 -7.4806 -9.941 0.6599 -1.0987 0.061 9.32224 0.41459 4.1493030774 6.267988244 0.235229828
+C      2.02994096      0.38752306     -1.45123818
+O      2.69678070      1.61964761     -1.12195362
+N      3.33118988      1.47546490      0.14148307
+C      4.72793233      1.72337816      0.07870001
+N      5.47054704      1.72082032     -0.96867764
+C      5.28159022      1.92068966      1.39283104
+C      5.69276045      2.10932170      2.51914296
+H      1.59665692      0.55762633     -2.44503737
+H      1.22955056      0.16504321     -0.72883978
+H      2.74110066     -0.45098709     -1.48648125
+H      2.85155318      2.08113793      0.81642629
+H      4.86754453      1.60629242     -1.79753075
+H      6.08736256      2.27296181      3.50150521 
+
+14
+-1382.364299510526 11.228989 11.41507 -8.6562 -6.6789 -9.73 1.2414 -0.491 0.289 9.29071 0.29178 5.449432672 6.588802019 0.311248719
+C      1.33743758     -0.48861165      0.20329951
+O      2.75552588     -0.30586896      0.24826286
+N      3.03793988      1.03374920     -0.11437657
+C      4.30514998      1.21177720     -0.18405644
+O      4.86377508      2.41626437     -0.48438253
+C      4.03503616      3.52980929     -0.55700730
+C      4.48622769      4.65900356     -1.10324521
+H      1.17373784     -1.52660384      0.51791394
+H      0.94923385     -0.34060192     -0.81642603
+H      0.82862483      0.19894952      0.89631144
+H      5.05966304      0.43700093     -0.02129642
+H      3.04326219      3.39120796     -0.12615597
+H      5.48375534      4.72734588     -1.53660997
+H      3.84535065      5.53755845     -1.11622131 
+
+14
+-1401.1095106734397 10.636208 10.84797 -9.4379 -7.565 -10.499 0.2379 -1.5241 -0.52 9.66575 1.07335 3.999292416 5.7563104206 0.406796159
+C      8.04555732      1.16329614     -2.65406379
+O      7.69330683      0.42379816     -1.47078270
+N      6.43298863      0.86668710     -0.99756753
+C      5.39265857     -0.05138180     -0.85513152
+O      4.46911930      0.21500247     -0.08658602
+C      5.45486690     -1.25734389     -1.72412022
+C      4.46263856     -2.15633985     -1.69850665
+H      7.31147220      0.99808491     -3.45762976
+H      9.02691444      0.77343482     -2.95190494
+H      8.12315668      2.24082776     -2.44095268
+H      6.53252633      1.50717505     -0.20449701
+H      6.33103678     -1.38592759     -2.36028627
+H      3.60486253     -2.00550104     -1.04011738
+H      4.48704493     -3.04796226     -2.32478354 
+
+12
+-1238.4262316151483 10.028544 10.36722 -9.7705 -7.8905 -10.754 0.3109 -1.5278 -0.525 9.90295 1.07184 3.8435288042 6.852272269 0.216257567
+C      1.84708754     -0.07568262     -1.30841347
+O      2.42878118      0.32306684     -0.05115135
+N      3.20717805      1.48501706     -0.23524756
+C      4.57703975      1.40592350     -0.02290119
+O      5.24429775      2.40924648      0.21657258
+C      5.15791702      0.08598029     -0.18478540
+C      5.75658020     -0.96393703     -0.29797940
+H      1.25026949     -0.96484587     -1.07082464
+H      2.62904269     -0.33077349     -2.03862986
+H      1.19706408      0.71591908     -1.71171921
+H      2.76137995      2.31647883      0.16217604
+H      6.28073230     -1.89323308     -0.39658655 
+
+16
+-1612.3344388437265 10.479961 11.38108 -8.8802 -6.7416 -10.178 0.8489 -0.0973 2.908 9.76812 -2.58176 7.9705763946 10.7859884896 0.170618418
+N      1.42938218     -0.41969728     -0.36358663
+C      2.74754949      0.01328099      0.02686768
+C      3.67614916     -1.05013341      0.58846695
+C      3.95374395     -0.43438908     -0.76264445
+O      4.92607446      0.59549191     -0.78832127
+C      4.23857335      1.83306700     -0.49330413
+C      3.07265367      1.46553910      0.43945397
+H      1.02559335      0.21691998     -1.05567061
+H      0.80083353     -0.43203308      0.44397499
+H      3.29027585     -2.07030493      0.59791240
+H      4.34769794     -0.77537209      1.40314010
+H      3.86462684     -1.02491358     -1.67716342
+H      4.97490891      2.51982432     -0.05279578
+H      3.85718659      2.27781274     -1.43288324
+H      3.35954625      1.53771033      1.50041743
+H      2.20115447      2.11629709      0.27766600 
+
+16
+-1616.904224631219 10.45552 11.39833 -9.2036 -7.0276 -10.205 0.8573 -0.0975 2.983 9.75177 -2.79261 7.9785114986 10.8840738142 0.143201709
+N      1.53050214     -0.31688580     -0.46515537
+C      2.82443015      0.01507075      0.07384137
+C      3.65904067     -1.09241045      0.66891006
+C      4.10164379     -0.43032784     -0.61703621
+C      5.07481235      0.72021545     -0.47872040
+O      4.57027531      1.53291693      0.60318502
+C      3.14202013      1.41384282      0.59704445
+H      1.22736654      0.39246082     -1.13862858
+H      0.82857936     -0.34456626      0.27910614
+H      3.24655642     -2.09684113      0.57954066
+H      4.22517244     -0.88174480      1.57880948
+H      4.04503792     -0.98760908     -1.55195437
+H      6.09842505      0.42742824     -0.19893963
+H      5.11725672      1.30160979     -1.42140857
+H      2.79676289      1.60574957      1.62580106
+H      2.67737813      2.16375100     -0.07868510 
+
+16
+-1610.0137229088587 10.390203 11.35767 -9.0804 -6.938 -10.415 0.8257 -0.1385 2.76 9.81403 -2.51936 8.034850737 12.9484655114 0.08483383
+N      1.01050494     -0.06309721     -0.10693752
+C      2.44331555     -0.00089023      0.00972713
+C      3.37694289     -0.58649859     -1.09568235
+C      4.43466237     -0.33583390      0.00536635
+C      3.37245395     -0.75939572      1.04167157
+O      4.45981869      1.11346737      0.12459605
+C      3.03650130      1.41261891      0.12323923
+H      0.55883232      0.37608259      0.69944455
+H      0.69153944     -1.03359594     -0.13802135
+H      3.47715503     -0.03071999     -2.03813557
+H      3.19102204     -1.65406549     -1.27580076
+H      5.45862825     -0.72062293     -0.02671294
+H      3.18029270     -1.84067530      1.05049154
+H      3.47296068     -0.35680595      2.05986212
+H      2.77557949      2.04884739     -0.73752111
+H      2.75793035      1.92469500      1.06055304 
+
+16
+-1606.8388539621646 10.302547 11.35378 -9.2278 -7.0228 -10.524 0.863 -0.0923 2.908 9.9163 -2.80566 8.3275072914 12.1253596532 0.156248117
+N      1.07259445     -0.03173477      0.02210655
+C      2.52546946     -0.02083764      0.01488927
+C      3.15652177     -0.96675940     -1.04277614
+C      4.67095159     -0.76805024     -0.82647549
+C      4.65969742      0.79643109     -0.78877861
+C      3.14251474      0.98357828     -0.99615229
+O      2.85875971      0.03174687     -2.08263102
+H      0.71751140      0.77210809      0.54513490
+H      0.72973316     -0.86550028      0.50495147
+H      3.00785795     -0.04124267      1.01428130
+H      2.76234017     -1.96802769     -1.25818551
+H      5.03648110     -1.22567906      0.10431444
+H      5.24699358     -1.16858924     -1.66985467
+H      5.23008251      1.24548925     -1.61130681
+H      5.01843222      1.21383334      0.16333709
+H      2.73393878      1.98823406     -1.16364447 
+
+16
+-1611.4998660409185 10.285968 11.20456 -8.6159 -6.4633 -10.038 0.8554 -0.1142 3.1 9.69413 -2.80649 8.1298736074 11.5485023896 0.144846071
+N      0.86197857      0.12730032     -0.42249023
+C      2.19434805      0.00522925      0.11856143
+C      3.17920459     -0.98753418     -0.50004955
+C      2.87145135     -1.52651442     -1.88886630
+C      2.66434881     -0.26798021     -2.75942348
+O      3.22497476      0.85759579     -2.03754866
+C      3.38678680      0.49286358     -0.68717474
+H      0.53260595      1.09241726     -0.34741736
+H      0.20750517     -0.45988239      0.09821366
+H      2.33140789      0.12933274      1.20285409
+H      3.80908145     -1.58125328      0.16347465
+H      3.72807245     -2.12308419     -2.23617979
+H      1.97628461     -2.16542933     -1.91281545
+H      3.18148648     -0.32000259     -3.72980421
+H      1.59217488     -0.08680640     -2.91692708
+H      4.17419819      1.06851805     -0.19850697 
+
+16
+-1605.8717460723344 10.28466 11.28471 -9.017 -6.8672 -10.519 0.8631 -0.0895 2.874 9.93352 -2.64609 8.4052465134 12.7780343558 0.101814032
+N      1.03970463     -0.02586266     -0.00359490
+C      2.49702399     -0.00292508     -0.00958060
+C      3.10714116      1.05388731     -0.99876173
+C      2.76403698      0.05193157     -2.14728124
+C      3.16082118     -0.95833678     -1.04905140
+O      4.57277218     -0.70872324     -0.83747959
+C      4.59296071      0.75650603     -0.80259176
+H      0.68074238      0.78620568      0.50443609
+H      0.70746847     -0.85015666      0.50286904
+H      2.97571450     -0.03858727      0.98865504
+H      2.78990811      2.10473440     -1.00457458
+H      3.38308968      0.06981467     -3.05443065
+H      1.69305547      0.03627317     -2.36902201
+H      2.98225450     -2.03923012     -1.09512408
+H      5.23117975      1.14051144     -1.61472429
+H      4.98964633      1.09485754      0.16853667 
+
+16
+-1612.4813804392486 10.38187 11.29322 -8.8983 -6.6771 -10.288 0.8155 -0.1506 3.111 9.79936 -3.00571 8.310595601 10.7572981292 0.203199764
+N      0.78715176      0.00499622     -0.02911135
+C      2.21582064      0.01947358      0.16300741
+C      3.09972860     -0.85316662     -0.70623479
+C      2.51904630     -1.42531327     -1.98463750
+O      2.03662926     -0.33258172     -2.77937014
+C      2.53345225      0.91127191     -2.26517992
+C      3.10880481      0.65110540     -0.88672224
+H      0.36878564      0.87566365      0.30396357
+H      0.35927534     -0.75847993      0.49819030
+H      2.60218755      0.13990933      1.18563455
+H      3.93826279     -1.37492700     -0.24307180
+H      3.30706299     -1.98341745     -2.52644078
+H      1.66559053     -2.10329742     -1.81492893
+H      3.32752917      1.31548276     -2.92247178
+H      1.68860082      1.62052689     -2.26231483
+H      3.95419156      1.25759365     -0.55899179 
+
+14
+-1449.6697808869844 9.993023 10.7355 -9. -6.8994 -8.849 1.3337 -0.3312 1.144 8.36673 -0.51934 5.5773986226 5.5773986226 0.201911654
+N      0.96070982     -0.29714280     -0.23367354
+C      2.33859736      0.03976510      0.08573647
+C      3.51739465     -0.74153986     -0.58851304
+O      4.34020489      0.46552248     -0.33730245
+C      3.08669050      1.15732068     -0.72141479
+C      2.90725084      0.70163786     -2.17644145
+C      3.20293635     -0.60376995     -2.08549723
+H      0.33619699      0.40671191      0.16936760
+H      0.71198154     -1.18006552      0.22069379
+H      2.56246729      0.16617415      1.16040385
+H      3.93969840     -1.67063186     -0.18761208
+H      3.05679900      2.22143641     -0.45909230
+H      2.60712941      1.30632984     -3.02751316
+H      3.21808296     -1.38520844     -2.83996168 
+
+14
+-1474.8640095431222 10.196297 10.90135 -8.2114 -6.1497 -8.77 0.951 0.0087 1.183 8.40273 -0.63289 5.6342090078 11.9995634576 0.250092348
+N      1.10329990      0.05742961      0.72525815
+C      2.42063483     -0.03124154      0.14661544
+C      2.56813966      0.70221719     -1.15964529
+O      3.87500241      1.11886709     -1.56281040
+C      4.60791126     -0.03763084     -1.73935389
+C      3.90890054     -1.17552829     -1.57419374
+C      2.52528619     -0.82451929     -1.16103247
+H      1.01213898      0.90319548      1.29325545
+H      0.92041356     -0.74294173      1.33454437
+H      3.31280566     -0.07074879      0.78688621
+H      1.77283711      1.35485877     -1.51762799
+H      5.65106480      0.12565335     -2.00009209
+H      4.29459555     -2.18112618     -1.71599827
+H      1.65326954     -1.38787482     -1.49598547 
+
+14
+-1409.1402756366574 9.152796 9.99652 -8.6743 -6.4353 -9.941 0.8351 -0.1682 3.037 9.69252 -2.7754 7.8517978066 10.193880948 0.14715716
+N      0.90281228     -0.06917238     -0.46021695
+C      2.22692882     -0.00066557      0.09552263
+C      3.36076140     -0.83514599     -0.50349736
+O      3.19885691     -1.41145862     -1.78125996
+C      2.82466480     -0.35565135     -2.67775589
+O      3.20219771      0.89043713     -2.07502686
+C      3.36302250      0.65307536     -0.69341655
+H      0.38316054      0.78964455     -0.26975005
+H      0.37954736     -0.84977388     -0.05931424
+H      2.35317035      0.13765921      1.18149766
+H      4.04806142     -1.40052491      0.12505645
+H      3.37926451     -0.47703621     -3.62264197
+H      1.73385327     -0.37296699     -2.82600319
+H      4.05235814      1.35610964     -0.22685373 
+
+13
+-1329.426134034626 9.491166 10.08625 -9.0565 -7.0014 -10.1 1.361 -0.4177 0.367 9.72253 0.21322 5.4456139032 11.5570574236 0.190867465
+N      1.01900624      0.03711653      0.63454641
+C      2.39184555     -0.03788671      0.20792027
+C      2.70960174      0.74581120     -1.03177998
+O      4.07149325      1.10125358     -1.25739305
+N      4.83296136     -0.08349891     -1.42774780
+C      4.03014686     -1.09694604     -1.39507304
+C      2.61877493     -0.76964205     -1.12476174
+H      0.86713116      0.86721569      1.21240264
+H      0.76576307     -0.77897018      1.19580027
+H      3.20334994     -0.13325040      0.94153903
+H      1.99227058      1.44528020     -1.46129818
+H      4.44518834     -2.09004266     -1.56458474
+H      1.79068697     -1.31362024     -1.57834008 
+
+16
+-1595.030983698353 10.583976 11.96208 -9.4445 -7.2059 -10.596 0.8534 -0.0889 2.774 9.9988 -2.39996 8.4919747204 11.095817105 0.301303999
+N      1.16135540     -0.09421489      0.07700030
+C      2.59580277     -0.12272966     -0.10721194
+C      3.11483157     -0.64981919     -1.42032605
+C      3.18579197      0.83062132     -1.13111924
+C      4.46448753      1.54594062     -0.84765617
+C      5.77049418      0.88531822     -0.67547422
+O      5.47410845      1.59562236     -1.88984312
+H      0.90518536      0.58649305      0.79637008
+H      0.82739927     -1.00633813      0.39862083
+H      3.23819898     -0.31930136      0.76262437
+H      2.36835378     -0.96151841     -2.15075433
+H      4.03369375     -1.23576854     -1.41767383
+H      2.43793263      1.43408909     -1.65173663
+H      4.33816998      2.51211705     -0.33980156
+H      5.85360998     -0.20150099     -0.78055483
+H      6.52376439      1.35089946     -0.02962365 
+
+16
+-1597.2958561544115 10.572989 11.78432 -9.3653 -7.1955 -10.412 0.8999 -0.0191 2.628 9.79203 -2.24155 7.9751018836 10.7711721626 0.188803687
+N      0.92034564      0.16460557     -0.68630276
+C      2.26054020      0.10147908     -0.14813610
+C      3.22066458     -0.81019954     -0.88872338
+C      3.35544490      0.68848676     -1.01258654
+C      2.45456575      0.19949434      1.34177537
+C      1.52219600      0.90249882      2.23864992
+O      1.52452069     -0.54008481      2.16984378
+H      0.51650297      1.09318647     -0.53837863
+H      0.32600045     -0.50660584     -0.19107861
+H      2.80406045     -1.34868991     -1.73884170
+H      3.96785360     -1.35004830     -0.30587620
+H      4.19615679      1.17618816     -0.51693595
+H      3.03317528      1.14816063     -1.94654353
+H      3.49830266      0.11571879      1.67459713
+H      0.62789873      1.38091281      1.82506106
+H      1.89276131      1.32631697      3.17826613 
+
+18
+-1745.9946858762662 11.244108 12.55728 -9.3293 -7.1101 -10.437 0.9102 -0.1333 2.955 9.89778 -2.63737 8.4828865466 11.2591562614 0.154700015
+N      0.65951102     -0.46771512     -0.05538768
+C      2.07480308     -0.70514678     -0.25451567
+C      2.60387781     -0.48277527     -1.64940759
+C      2.95635282      0.49772412     -0.55309935
+C      4.37681921      0.59219645     -0.03187150
+C      4.47770318      1.26304093      1.33836378
+O      3.82600609      0.52664333      2.38120139
+H      0.44682593     -0.31790465      0.93440798
+H      0.12070828     -1.28692178     -0.34890676
+H      2.56050538     -1.51574873      0.30662814
+H      1.88029100     -0.15829350     -2.39732272
+H      3.38893946     -1.14872757     -2.01091128
+H      2.40850029      1.44414574     -0.60036062
+H      4.98962791      1.17095620     -0.74546008
+H      4.82342755     -0.41481477      0.02506505
+H      4.07251368      2.29284944      1.27900011
+H      5.53052025      1.34106228      1.64766792
+H      2.91886706      0.35412968      2.07312886 
+
+15
+-1461.8239416540268 11.016032 11.67876 -8.8657 -6.8219 -10.107 1.4266 -0.2743 0.442 9.66442 0.17063 5.449432672 6.2243575706 0.19549545
+N      1.08610964     -0.04025127     -0.01178207
+C      2.52884009     -0.04729638     -0.01029444
+C      3.21339276     -0.73201713     -1.15386988
+C      3.23079268      0.78162269     -1.09837055
+C      4.45969577      1.52728352     -0.77568527
+N      5.51994896      0.92297031     -0.37188073
+O      6.54236285      1.85838537     -0.05479117
+H      0.72654504      0.66456972      0.63601117
+H      0.72636330     -0.94619677      0.29966458
+H      3.07146800     -0.06237884      0.94417307
+H      2.57177600     -1.17673723     -1.91468270
+H      4.15743017     -1.23808526     -0.95615227
+H      2.53759091      1.29497301     -1.76603423
+H      4.44546677      2.62335616     -0.85962852
+H      7.27960706      1.27003211      0.18803300 
+
+15
+-1514.402669379331 10.409926 11.34777 -9.2299 -7.218 -10.655 0.7 -0.2927 0.427 9.59195 0.20907 4.2781493286 11.7370850956 0.247743802
+N      0.93301398      0.01583562     -0.40206206
+C      2.30400515      0.01509624      0.04807151
+C      3.27888203     -0.83091834     -0.71489179
+C      3.32282469      0.67920555     -0.87673714
+C      4.39097264      1.57198418     -0.32501257
+N      5.14240142      1.07667584      0.72526174
+O      4.54682354      2.71892560     -0.74306837
+H      0.45918029      0.87213672     -0.10483139
+H      0.42315720     -0.76954357      0.00992899
+H      2.51858719      0.14306147      1.11740039
+H      2.88690653     -1.38459627     -1.56816673
+H      4.07605149     -1.33761503     -0.16887105
+H      2.90055118      1.07139905     -1.80129649
+H      5.24341565      0.07598960      0.85794638
+H      5.93263702      1.65370333      0.99983856 
+
+14
+-1444.5565060555034 9.655766 10.62649 -9.8975 -7.7043 -11.012 0.6407 -0.4398 0.047 10.19194 0.55442 4.3033928782 11.43956829 0.174731976
+N      0.96440724      0.01822972     -0.35808302
+C      2.34412167      0.02129550      0.05580827
+C      3.30009204     -0.82918636     -0.72344367
+C      3.33539670      0.67836208     -0.90747943
+C      4.41384501      1.57401978     -0.39406071
+O      5.20772681      1.09356978      0.62273715
+O      4.59486490      2.69909595     -0.80875546
+H      0.49500342      0.87496119     -0.05636179
+H      0.46596889     -0.76834446      0.06474778
+H      2.58396851      0.16029347      1.11934905
+H      2.89183125     -1.39499623     -1.56086361
+H      4.11596958     -1.32988464     -0.19708410
+H      2.88326351      1.05727150     -1.82301423
+H      5.00140045      0.15360271      0.78453377 
+
+17
+-1622.6498761016292 10.796209 11.79924 -8.9428 -6.8002 -10.043 0.7627 -0.2256 2.946 9.66673 -2.59956 7.9536027112 11.45258682 0.215474579
+N      1.09831560      0.14847568     -0.32914493
+C      2.52585998      0.03561551     -0.11499264
+C      3.33324841     -0.74942700     -1.12419013
+C      3.43755374      0.76487550     -1.09004352
+N      2.81666827      1.56523066     -2.13034606
+C      4.68226171      1.42702663     -0.52716867
+O      5.60172609      1.79976759     -1.55627937
+H      0.68644664      0.80610014      0.33636313
+H      0.63795011     -0.75262496     -0.18637238
+H      2.88593178     -0.00926256      0.92131660
+H      2.77947025     -1.18160609     -1.96010085
+H      4.17046585     -1.34773523     -0.76080609
+H      1.79834654      1.48956444     -2.02059001
+H      3.03495126      1.17235902     -3.04881936
+H      5.22443795      0.74421420      0.14412167
+H      4.37648516      2.31743842      0.05683429
+H      5.08312067      2.37457806     -2.15291167 
+
+15
+-1504.4543094812539 10.463912 11.5067 -9.4254 -7.3225 -10.511 0.7814 -0.1972 0.341 9.95405 0.23383 4.3225983096 6.196262343 0.209760172
+N      0.89922813      0.02101712     -0.27972519
+C      2.29392398     -0.22336468     -0.00048825
+C      3.10867696     -0.87125508     -1.09017864
+C      3.30006624      0.59707789     -0.78785401
+N      4.52230138      1.01070616     -0.15528511
+C      4.58610059      1.91330849      0.87326601
+O      5.62098283      2.37694769      1.33609922
+H      0.52060038      0.72725670      0.35578329
+H      0.35405113     -0.83287632     -0.14131480
+H      2.60920897     -0.46797655      1.02213144
+H      2.59471829     -1.11538410     -2.01937799
+H      3.90200889     -1.55465269     -0.78699203
+H      2.86179665      1.29113812     -1.51126475
+H      5.41108522      0.78648243     -0.60287530
+H      3.57267037      2.17167481      1.26135610 
+
+16
+-1596.622570795294 11.634377 12.68341 -8.6437 -6.5182 -9.396 0.9429 -0.0053 1.264 8.93213 -0.76113 6.3953094674 6.3953094674 0.450330461
+N      0.40966096      1.06007801     -0.74087399
+C      1.04529053     -0.19386492     -0.40698624
+C      1.71940518     -0.95554991     -1.53326065
+C      2.54106616     -0.24349974     -0.48587949
+O      3.19453620     -1.00158269      0.51638093
+C      4.34427802     -1.62735214      0.10177312
+C      5.14107481     -2.28987223      0.94807855
+H      0.30806535      1.64295130      0.09370089
+H     -0.53012015      0.89335902     -1.10819317
+H      0.62239354     -0.82776044      0.38373131
+H      1.68737267     -0.51283085     -2.52902190
+H      1.68545590     -2.04395252     -1.48693717
+H      3.05806642      0.67741605     -0.77164774
+H      4.55120669     -1.55389582     -0.97103750
+H      4.91841305     -2.35408874      2.01299842
+H      6.03231467     -2.78169438      0.56567461 
+
+16
+-1556.9438485675992 10.100216 11.21496 -9.0978 -6.9445 -10.387 0.6968 -0.3081 2.784 10.01785 -2.44326 8.0861561438 10.8700014032 0.12507906
+N      1.08569898      0.11146742     -0.27389956
+C      2.51075490     -0.01820664     -0.03836732
+C      3.31017978     -0.75929994     -1.09596070
+C      3.36180276      0.75013208     -1.03803509
+O      2.65296687      1.47363652     -2.01842601
+C      4.60761743      1.47807054     -0.60932606
+O      5.55268075      1.62990794     -1.67314920
+H      0.65471819      0.72675609      0.41871007
+H      0.61268300     -0.79263743     -0.22267111
+H      2.86337284     -0.08868013      0.99722044
+H      2.75033706     -1.19080518     -1.92729769
+H      4.18023013     -1.33052317     -0.77061468
+H      1.70970884      1.22998256     -1.85651564
+H      5.12252839      0.91352218      0.18222403
+H      4.31735056      2.46482781     -0.19964540
+H      5.06120952      2.01917937     -2.41964609 
+
+14
+-1432.557307415825 9.6179 10.60921 -9.5907 -7.3079 -10.542 1.8016 -0.2633 -0.176 10.82578 0.70164 4.3792723102 12.1851333038 0.238332598
+N      0.79901168      0.66091126     -0.66776958
+C      1.28567848     -0.64648500     -0.30314276
+C      2.28561267     -1.31499381     -1.23320741
+C      2.73936552     -0.73627504      0.06822782
+O      3.13352565     -1.68770786      1.06660423
+C      3.16328968     -1.20992582      2.33778226
+O      2.88790598     -0.08455774      2.69025274
+H      0.50958852      1.17759470      0.16618181
+H     -0.01458488      0.58463125     -1.28215575
+H      0.63468166     -1.34274627      0.24311673
+H      2.57178447     -0.77917883     -2.13780758
+H      2.24446590     -2.40131900     -1.31042034
+H      3.31733722      0.18742891      0.08382984
+H      3.49259744     -2.02924674      3.00671798 
+
+15
+-1447.7942883607 11.066455 11.75654 -9.0916 -6.9298 -10.274 1.377 -0.5194 0.304 9.77309 0.22183 5.3858154554 6.526871012 0.394497978
+N      0.39188279      0.29075291     -0.35703070
+C      1.67341360     -0.27230720      0.00411968
+C      2.40306827     -1.09152657     -1.04273115
+C      2.88408838      0.28800942     -0.68462825
+O      4.02545163      0.43184649      0.14198937
+N      5.19641932      0.29971158     -0.64330860
+C      6.24506363      0.45313098      0.07577380
+H      0.16528942      1.08157026      0.25108463
+H     -0.34655894     -0.40572313     -0.23094142
+H      1.85499472     -0.58849191      1.04010629
+H      1.92491269     -1.20996195     -2.01515813
+H      3.00085459     -1.93286046     -0.69353627
+H      2.73705271      1.09617781     -1.40455820
+H      7.19875602      0.37195695     -0.44640906
+H      6.21283116      0.65436481      1.15325803 
+
+16
+-1607.462307796769 10.312853 11.30286 -9.2075 -6.9862 -10.536 0.8748 -0.0664 2.924 9.90519 -2.63008 8.3553793442 12.4093743834 0.128187308
+N      0.99267529      0.04091806      0.00859104
+C      2.45533922      0.01075780     -0.01354906
+C      3.04274287     -1.14241067      0.85923376
+C      3.86003929     -0.27050816      1.83585451
+C      4.56346149      0.75401500      0.91874303
+C      3.08658388      1.18268970      0.78650779
+O      2.88680257      0.78061069      2.18916386
+H      0.62176903     -0.84745729     -0.33681236
+H      0.64632008      0.76238087     -0.62951128
+H      2.88732744     -0.00923081     -1.03496292
+H      3.65634513     -1.85657332      0.29212145
+H      2.24515418     -1.67880272      1.39101694
+H      4.33961551     -0.74293101      2.70206081
+H      5.10316259      0.39696784      0.02816023
+H      5.15039172      1.48199370      1.49000991
+H      2.76124971      2.20722030      0.56461228 
+
+16
+-1619.870995080806 10.294997 11.27333 -9.2637 -7.0251 -10.711 0.9116 -0.0581 2.913 10.08397 -2.73106 8.5944987438 11.9185634038 0.176449898
+N      1.34268803      0.10745978      0.95420018
+C      2.47591396      0.00312487      0.01774275
+C      2.43402109     -1.32924680     -0.77259108
+C      3.01090040     -0.98935546     -2.12884809
+O      4.24779215     -0.23332878     -2.06941935
+C      3.00243422      0.47373606     -2.30180746
+C      2.41981057      1.11385032     -1.06143888
+H      1.40988081      0.99043272      1.46921888
+H      1.42182987     -0.62691349      1.66404356
+H      3.45672073      0.06846747      0.52195650
+H      1.38488347     -1.64745193     -0.89710956
+H      2.98023441     -2.13892330     -0.26511717
+H      2.93235929     -1.68560518     -2.96916436
+H      2.91687070      0.95385073     -3.28121033
+H      2.95617726      2.02529854     -0.75752827
+H      1.36760303      1.38245444     -1.25531730 
+
+18
+-1747.7152970801865 11.218546 12.44875 -9.2798 -7.0318 -10.595 0.8801 -0.0733 2.819 9.97522 -2.54918 8.4872384552 12.9309090938 0.096673063
+N      0.95750454      0.01119154      0.05339869
+C      2.41989150      0.02447855      0.03824934
+C      3.11237052      1.09451851      0.91735091
+C      4.15312775      0.02066500      1.33573675
+C      3.13930374     -1.06916037      0.87786186
+C      3.65626501     -2.30958286      0.17153136
+O      4.37859733     -3.19692630      1.03692937
+H      0.60837806     -0.77575136     -0.50165329
+H      0.60149138      0.85426750     -0.40713253
+H      2.86266384      0.04538340     -0.98038757
+H      2.45702607      1.36442895      1.75814453
+H      3.47652510      2.00835821      0.42818788
+H      5.04429972      0.04367941      0.68767786
+H      4.47642967      0.01266452      2.38498055
+H      2.48616575     -1.35624413      1.71738413
+H      4.28227942     -2.01126893     -0.69377720
+H      2.81832468     -2.90898440     -0.21912242
+H      5.12253591     -2.69412726      1.41316979 
+
+16
+-1620.6879677343213 10.297146 11.23405 -9.0835 -6.905 -10.415 0.9303 0.0097 2.795 9.80207 -2.62231 8.136271285 11.2085079804 0.173782698
+N      1.46082094      0.10331455      0.93309323
+C      2.54464019     -0.18905933     -0.01023215
+C      2.36091039     -1.58387894     -0.66219129
+C      3.06298640     -1.52091582     -2.03403347
+C      2.99852220     -0.05330340     -2.41200585
+O      1.68828610      0.54157519     -2.22311578
+C      2.70655577      0.74158423     -1.20947241
+H      0.58750435      0.20809715      0.40666861
+H      1.62812672      0.99963255      1.39754938
+H      3.49351082     -0.16164558      0.55668124
+H      1.28454731     -1.75788347     -0.80115008
+H      2.74148543     -2.38628934     -0.01796482
+H      4.12395300     -1.81320309     -1.96067966
+H      2.59287034     -2.17302890     -2.78525415
+H      3.56507123      0.34117428     -3.26084768
+H      3.04060881      1.77671994     -1.08077512 
+
+14
+-1474.0642268617812 10.22965 10.68722 -9.1155 -7.0176 -9.381 1.0101 -0.5732 0.971 8.91255 -0.36657 6.039420053 6.039420053 0.270582156
+N      1.05351264     -0.22261813     -0.17597934
+C      2.51325559     -0.03233507     -0.13136958
+C      2.97767424      1.34386746      0.31803768
+C      3.63796179      1.30178791      1.49074563
+C      3.80451924     -0.11100989      1.93640789
+O      4.56438997     -0.92687411      0.98560684
+C      3.13098534     -0.95593053      0.92418589
+H      0.66186348      0.22916765     -1.00498010
+H      0.62535172      0.23570264      0.63355249
+H      2.91701933     -0.28733369     -1.12533492
+H      2.78711112      2.24296299     -0.27127718
+H      4.04048637      2.15762657      2.03245866
+H      3.93008235     -0.39406139      2.98366297
+H      2.64387681     -1.91056240      1.14444306 
+
+18
+-1767.9372378541455 11.032492 12.09073 -9.2178 -6.9879 -10.593 0.8508 -0.1313 2.929 9.91344 -2.64281 8.446794222 10.494051054 0.105193619
+N      1.05244227      0.01016158     -0.16194213
+C      2.50513265      0.04258696      0.00024210
+C      3.00117068      1.17958321      0.90037806
+C      4.40070991      0.71781500      1.39076396
+C      4.44017062     -0.81954976      1.17065088
+C      3.01368365     -1.20299022      0.74201550
+O      2.89845787     -2.42376315      0.00432010
+H      0.79293698     -0.85655059     -0.64229332
+H      0.74059995      0.77897515     -0.75971828
+H      3.05854040      0.08721379     -0.96803086
+H      2.29735226      1.27233724      1.74300908
+H      3.02899121      2.15246931      0.38844042
+H      5.20232628      1.20966842      0.82159229
+H      4.55639453      0.98471810      2.44500946
+H      5.13638623     -1.07583300      0.35388516
+H      4.76892425     -1.38081229      2.05521519
+H      2.36622664     -1.35114350      1.62312191
+H      3.54579361     -2.38292626     -0.72395952 
+
+16
+-1628.745248616596 10.839975 11.30501 -9.2766 -7.1295 -9.194 0.8951 -0.3554 1.165 8.72056 -0.54335 6.1076247516 6.1076247516 0.31367038
+N      1.02606234      0.02453869     -0.50279941
+C      2.40596628      0.09920386      0.03618972
+C      3.22595354     -1.14650498     -0.18732515
+C      4.10599290     -0.98923894     -1.19071172
+C      4.06879098      0.39674899     -1.77801255
+C      3.21278603      1.19380406     -0.75434969
+O      2.36076153      2.17293481     -1.31300889
+H      0.35248073     -0.21645493      0.22418172
+H      0.96511886     -0.69268730     -1.22935084
+H      2.32206295      0.37978003      1.09700367
+H      3.06321036     -2.07104644      0.37022774
+H      4.77306526     -1.77336535     -1.55554245
+H      5.07116695      0.83248256     -1.91139889
+H      3.58930720      0.40660007     -2.77198355
+H      3.89660272      1.69216535     -0.04590650
+H      1.46890138      1.74289951     -1.27557322 
+
+16
+-1626.406339724665 10.942334 11.53459 -9.3638 -7.1195 -9.277 1.1262 -0.1961 1.165 8.78308 -0.54345 6.1438658594 6.1438658594 0.304329655
+N      1.19147078      0.02317712      0.49522748
+C      2.52110588     -0.10199598     -0.10758922
+C      2.64633230     -1.30684284     -1.06905660
+C      3.55927544     -0.78769173     -2.15210821
+C      3.68473258      0.54681909     -2.10354720
+C      2.88531226      1.13740352     -0.96791037
+O      3.54343878      2.18124708     -0.23230504
+H      1.16940415      0.86214459      1.08256367
+H      1.01463609     -0.76436965      1.12424546
+H      3.33730420     -0.19043907      0.64326736
+H      1.65091819     -1.55131715     -1.48136742
+H      3.02625079     -2.21805261     -0.57947166
+H      4.01460426     -1.43486489     -2.90399195
+H      4.24396883      1.16750522     -2.80514986
+H      1.96017276      1.61244103     -1.33993709
+H      4.41463271      1.83341627      0.03464066 
+
+13
+-1349.6540569429749 10.588006 10.54244 -7.4196 -5.5008 -7.76 0.7681 -0.3275 0.954 7.29968 -0.35759 4.5414707954 6.128132036 0.42505775
+N      0.90491869     -0.06984256     -0.08230371
+C      2.29973646      0.06690962      0.01994365
+C      3.16389731      1.15359191     -0.01429580
+C      4.49860577      0.64471656     -0.00009321
+C      4.44035241     -0.73498996      0.04520456
+N      3.09519173     -1.05926700      0.03058342
+O      2.59071009     -2.35159277      0.16222945
+H      0.45292387      0.84276392     -0.06911668
+H      0.51771825     -0.64385681      0.67047330
+H      2.86220541      2.19638180     -0.04551365
+H      5.41117189      1.23268523     -0.00881082
+H      5.19478546     -1.50923630      0.11143760
+H      2.32759266     -2.60519362     -0.74723809 
+
+13
+-1382.4283779582634 10.603545 10.86433 -7.0977 -5.1206 -7.503 0.8553 -0.0896 0.754 7.21861 -0.16124 4.0797717286 6.6388179714 0.36166437
+N      1.00421545     -0.17047503     -0.19115620
+C      2.37154074      0.05810755     -0.02218563
+C      3.16822788      1.16832339     -0.00027529
+C      4.53082866      0.69354655      0.01334557
+C      4.46510966     -0.67134181      0.03653556
+N      5.39426867     -1.69998837      0.20634449
+O      3.14669632     -1.08606562      0.00756323
+H      0.49214798      0.70572929     -0.27052060
+H      0.59888010     -0.73848018      0.55599574
+H      2.83230573      2.20055268      0.00509964
+H      5.43546669      1.29352556      0.00715180
+H      5.35947450     -2.39730257     -0.54052954
+H      6.33989761     -1.33169145      0.28656123 
+
+18
+-1761.2216054089965 10.982295 11.93985 -9.1654 -6.9287 -10.572 0.8399 -0.1385 2.979 9.90421 -2.73716 8.4414876212 11.417312803 0.074749462
+N      0.98899652     -0.00080634      0.09607155
+C      2.45760235     -0.00805223      0.01985470
+C      2.93976597     -1.36908270     -0.51495467
+C      2.60155343     -1.52228392     -2.00303739
+C      3.12866056     -0.32168803     -2.78532404
+O      2.60299161      0.91256649     -2.28400650
+C      2.95391328      1.10377045     -0.91711613
+H      0.65035555      0.92990395      0.35118013
+H      0.67676003     -0.63813795      0.83221794
+H      2.94689742      0.17788943      1.00076719
+H      2.49374688     -2.18506858      0.07684846
+H      4.03236779     -1.43474086     -0.37115915
+H      3.04013852     -2.44796275     -2.40864406
+H      1.51035585     -1.57767378     -2.13085553
+H      4.23927924     -0.29489001     -2.74113692
+H      2.83017735     -0.36453195     -3.84245610
+H      4.05776321      1.17480418     -0.81430653
+H      2.52521444      2.07684461     -0.62922297 
+
+18
+-1747.2132339465636 11.198875 12.3683 -9.2854 -7.0319 -10.571 0.8147 -0.1635 2.884 9.98022 -2.61997 8.5322453732 12.9876202902 0.111067578
+N      0.90076579      0.02102112      0.19839641
+C      2.35237282      0.04212272      0.01248152
+C      3.12559844      1.08100469      0.86615881
+C      4.16506857     -0.02334060      1.23092888
+C      5.44836856      0.01789222      0.41143038
+O      6.32374385      1.08770484      0.78642600
+C      3.14083724     -1.08475121      0.72925266
+H      0.49988751     -0.77192997     -0.31194818
+H      0.48607606      0.85961733     -0.21968039
+H      2.66565156      0.10987066     -1.04788444
+H      2.52539888      1.38039833      1.73690205
+H      3.48952710      1.98692884      0.35458743
+H      4.43015023     -0.08154255      2.29663857
+H      5.21192703      0.06578223     -0.67056067
+H      6.02642115     -0.90450008      0.57914733
+H      5.82833276      1.91943188      0.68154409
+H      3.53034559     -1.90658106      0.10972902
+H      2.54752686     -1.50123940      1.55528052 
+
+18
+-1766.7263315575938 11.045331 12.05491 -9.3731 -7.1374 -10.702 0.7977 -0.195 2.952 10.03271 -2.65598 8.5787649204 10.620764746 0.086325911
+N      1.04272307     -0.00049315     -0.14219640
+C      2.49925676     -0.05630974      0.02912547
+C      3.03920575      1.13312002      0.83951294
+C      4.40320022      0.65431750      1.38286980
+C      4.37941002     -0.90393611      1.32196763
+O      5.38220211     -1.44152844      0.43909801
+C      2.94456019     -1.25144326      0.88222932
+H      0.72343267     -0.81359267     -0.67576748
+H      0.78864223      0.81911657     -0.70068094
+H      3.04196288     -0.09291756     -0.94356916
+H      2.33066338      1.32052328      1.66251247
+H      3.11288232      2.05827970      0.24866063
+H      5.24294419      1.01164595      0.76769060
+H      4.58917105      1.01954117      2.40266908
+H      4.62296025     -1.35556744      2.29338098
+H      5.23157724     -1.05797609     -0.44358098
+H      2.90746730     -2.22217805      0.36727399
+H      2.27741838     -1.30275167      1.75941404 
+
+15
+-1475.9773984610097 10.500849 10.9066 -8.7034 -6.787 -10.307 1.1654 -0.3147 0.729 9.61913 -0.1164 4.8458192296 6.5193450618 0.178912487
+N      1.13314926      0.08107996      0.50515235
+C      2.34590210      0.02862746      0.08123323
+C      3.03927035     -1.30656926     -0.09172400
+C      4.09872417     -1.30155116     -1.20241576
+C      4.93548115     -0.03147878     -1.11177950
+O      4.08963398      1.11770791     -1.21958117
+N      3.19939931      1.13832666     -0.05738901
+H      0.80815042      1.05519266      0.60472892
+H      2.26593269     -2.06712643     -0.25389076
+H      3.52156973     -1.53433159      0.87438243
+H      4.74267903     -2.19064191     -1.12125791
+H      3.61377994     -1.33253181     -2.19077734
+H      5.50500308      0.01251887     -0.16445935
+H      5.63217277      0.06660018     -1.95636374
+H      2.69474200      2.02174724     -0.16270838 
+
+13
+-1408.402220599741 9.97609 10.33873 -9.7298 -7.7277 -10.551 1.2225 -0.5193 -0.12 10.06708 0.68581 4.2641513092 6.0912214038 0.314631511
+N      1.11968254     -0.06279582      0.47637168
+C      2.32837675     -0.02482088      0.06391420
+C      3.14028309      1.25532114     -0.07602973
+C      4.47732244      0.83391335     -0.70541373
+C      4.43387806     -0.69069020     -0.77736153
+O      5.30519913     -1.45453215     -1.15373663
+N      3.16849342     -1.07519553     -0.33150105
+H      0.75007219     -1.02230385      0.50758299
+H      3.26521773      1.69704623      0.92220705
+H      2.57619381      1.97862090     -0.67795693
+H      4.61455858      1.21579040     -1.72708967
+H      5.36063796      1.13837429     -0.12920832
+H      2.89758429     -2.05668787     -0.31481832 
+
+13
+-1387.2157943004922 10.303751 10.7217 -7.3405 -5.4173 -7.724 0.8777 -0.1051 1.012 7.34922 -0.39292 4.538011586 6.260797056 0.381637637
+N      0.86583387     -0.15334670      0.04345543
+C      2.27877509     -0.03542637      0.02732200
+C      3.17209034      1.01911201      0.05723513
+C      4.50124881      0.48369463      0.01540358
+C      4.36781910     -0.89165723     -0.03942263
+O      5.26749625     -1.92463382     -0.09450708
+N      3.03698292     -1.20621566     -0.03236561
+H      0.43455459      0.30272992     -0.76247620
+H      0.45791803      0.25069509      0.88819786
+H      2.90393818      2.07093921      0.10319557
+H      5.43461514      1.03911240      0.02569110
+H      6.15966942     -1.53797817     -0.10068905
+H      2.64457827     -2.14152531     -0.06378010 
+
+12
+-1313.1824792095085 9.67481 10.09664 -7.5188 -5.458 -7.857 0.8021 -0.1645 0.527 7.56141 0.03178 4.183659598 6.7299352828 0.382966602
+N      1.01449786     -0.19407403     -0.20086589
+C      2.37873692      0.03884538     -0.01801994
+C      3.17663636      1.14662189      0.03935370
+C      4.54389112      0.68418994      0.05567280
+C      4.47234081     -0.67479055      0.03599317
+O      5.42559806     -1.63009639      0.14732274
+O      3.16645889     -1.10702968     -0.01942759
+H      0.51389518      0.67364779     -0.38189455
+H      0.57805996     -0.68327165      0.58378718
+H      2.83717687      2.17732132      0.06988464
+H      5.45023366      1.27794649      0.08771641
+H      5.11452431     -2.43270052     -0.31201267 
+
+11
+-1255.454541041955 9.866775 9.66074 -8.905 -7.0049 -9.396 -0.742 -2.5432 -1.432 8.84774 1.7941 3.3575904744 6.6402934048 0.417950094
+N      1.01029875     -0.01442788     -0.26412174
+C      2.26980812     -0.06637037     -0.01894908
+C      3.12464637     -1.23409533      0.13530489
+C      4.38051457     -0.78545508      0.38511704
+N      4.44470926      0.61671659      0.41256504
+C      3.18853831      1.16170084      0.17342264
+O      2.88456655      2.34165145      0.12679615
+H      0.72918998      0.98113607     -0.30829081
+H      2.81091890     -2.26978570      0.06326291
+H      5.28706808     -1.36089199      0.55599246
+H      5.27988113      1.16812140      0.58148051 
+
+13
+-1388.1609919790271 9.926338 10.23437 -8.6091 -6.6202 -9.173 0.924 -0.7118 0.338 8.72199 0.31643 4.3246688758 5.7918324096 0.157459927
+N      0.97049448      0.00446078     -0.12816383
+C      2.42359155     -0.11444436      0.02811471
+C      3.06700495     -1.31768498     -0.61821657
+C      4.03529250     -0.89254070     -1.44768250
+N      4.10923831      0.51640789     -1.46801584
+C      3.11276337      1.07480161     -0.68415560
+O      2.82997618      2.25982819     -0.58545643
+H      0.71846809      0.98432404      0.03986396
+H      0.49434915     -0.55049960      0.58569314
+H      2.76627608     -0.05580488      1.08630694
+H      2.82039957     -2.35328675     -0.40436510
+H      4.73287285     -1.47015746     -2.04959358
+H      4.65942294      1.06666623     -2.12076930 
+
+17
+-1624.9838824512638 10.730983 11.64244 -8.9128 -6.7355 -10.236 0.7774 -0.2907 2.782 9.76476 -2.53801 8.1021999322 13.101166669 0.064214092
+N      0.91961565      0.02877431      0.10363002
+C      2.37648694      0.02727985      0.00993240
+C      3.14658119      1.05721169      0.88197860
+C      4.18713667     -0.03751167      1.24007730
+N      5.40918331      0.06462651      0.44389754
+C      3.11376013     -1.09206186      0.78797062
+O      3.52504022     -2.27372927      0.12476196
+H      0.54664026     -0.80168712     -0.36585672
+H      0.53304916      0.83404141     -0.39687879
+H      2.76280115      0.05459160     -1.03160231
+H      2.54539640      1.35297843      1.75262778
+H      3.54281183      1.95439823      0.38733277
+H      4.48310652     -0.10100552      2.29686457
+H      5.21614684      0.19185799     -0.55226998
+H      5.99549118     -0.76633757      0.55393788
+H      2.49625926     -1.40747461      1.64303195
+H      4.23922328     -2.01682239     -0.49014559 
+
+15
+-1532.7105475320436 10.099309 10.79877 -9.3526 -7.1504 -10.563 0.8255 -0.2019 0.63 9.59109 0.05937 4.3708412622 6.4009508304 0.136445628
+N      0.98030261      0.05072516      0.06208746
+C      2.43680222      0.10937174      0.00951733
+C      3.08144979      1.22422376      0.84939378
+C      4.43877034      0.62903040      1.27838450
+N      4.15054801     -0.80236088      1.31766616
+C      3.03857591     -1.17410389      0.61268555
+O      2.59527979     -2.30947520      0.47185576
+H      0.70635851     -0.93130384     -0.05780404
+H      0.56733690      0.57214333     -0.71239871
+H      2.83909409      0.15053337     -1.02627085
+H      2.44331753      1.39219751      1.72936725
+H      3.19723203      2.17487325      0.31291784
+H      5.23404953      0.85645244      0.54623215
+H      4.76566362      0.99435413      2.26224961
+H      4.78591910     -1.50042128      1.69337621 
+
+13
+-1384.240968563173 10.409711 10.57575 -7.1843 -5.2659 -7.654 0.8379 -0.1984 0.94 7.17503 -0.37113 4.4529695886 5.8743698898 0.366490223
+N      0.94060485      0.14262868      0.23380692
+C      2.34113883      0.04202437      0.05642037
+C      3.21151194      1.10952768     -0.09485462
+O      2.96035772      2.45634784     -0.24068893
+N      4.50570609      0.61628290     -0.14277234
+C      4.47181711     -0.75557200     -0.03532299
+C      3.14655980     -1.13749744      0.10377887
+H      0.55963930      0.93311584     -0.28889842
+H      0.46433501     -0.70397722     -0.07627586
+H      2.74090849      2.83133781      0.63338155
+H      5.32074915      1.18772665     -0.33139113
+H      5.37901304     -1.34765888     -0.07203883
+H      2.79131867     -2.15651622      0.22997541 
+
+13
+-1346.716146361027 10.619273 10.62444 -7.381 -5.4991 -7.918 0.8073 -0.2733 0.862 7.38956 -0.31003 4.6088943822 5.8851442732 0.236969281
+N      0.88754068     -0.03834522     -0.20139642
+C      2.29620741      0.01153512     -0.09860103
+C      3.09738751      1.14838153     -0.15986725
+N      4.40648257      0.70288767     -0.09481643
+O      5.51578404      1.53486899     -0.24114503
+C      4.47222353     -0.65900741     -0.01985168
+C      3.16094316     -1.11981325     -0.01132083
+H      0.44490604      0.83621469      0.07679364
+H      0.49264772     -0.79514385      0.35578682
+H      2.87089333      2.20269018     -0.26558178
+H      5.73283897      1.82133873      0.66991455
+H      5.42604994     -1.17237507      0.01231802
+H      2.85963510     -2.16231212      0.04112742 
+
+13
+-1342.310879554595 10.651371 10.27576 -7.992 -6.0739 -8.567 0.6826 -0.9395 -0.168 7.93575 0.7708 4.2346550398 10.7597778492 0.213249513
+N      0.95951236     -0.00263458      0.27926630
+C      2.31310802      0.08513780      0.06271940
+C      3.05316090      1.22304806     -0.02917535
+C      4.48287082      1.07051491     -0.13620517
+N      5.17028450      0.00209177      0.14536912
+O      4.36334647     -1.10369728      0.56972613
+C      3.09213600     -1.19898637     -0.08093887
+H      0.48654448     -0.85147334     -0.01664795
+H      0.40751537      0.84417198      0.17371780
+H      2.61436234      2.22086920     -0.00343981
+H      5.10974640      1.91973165     -0.42165520
+H      2.58917015     -2.04177001      0.41543059
+H      3.23057220     -1.44538377     -1.15545697 
+
+14
+-1480.126154328696 10.97632 11.22268 -8.3791 -6.3333 -8.868 0.9283 -0.4716 1.075 8.48295 -0.48561 5.7087245938 5.7087245938 0.222002667
+N      0.92337649     -0.15978488     -0.17989848
+C      2.38588632     -0.02612470      0.02661154
+C      3.13271667     -1.23590515     -0.48592698
+C      3.87278162     -0.85955046     -1.53298812
+O      3.79567830      0.49281590     -1.83129649
+C      2.95556834      1.06457010     -0.87495882
+C      2.74634762      2.38365903     -0.83692116
+H      0.47646408      0.73855091      0.02673949
+H      0.55000072     -0.83009790      0.49851282
+H      2.65496316      0.19280269      1.08016877
+H      3.04847568     -2.24307324     -0.08936826
+H      4.52763148     -1.42287037     -2.19319756
+H      3.19944396      3.05031275     -1.56844365
+H      2.11051555      2.81288531     -0.06505311 
+
+16
+-1622.5850550701855 11.12816 11.80929 -8.4283 -6.3407 -9.044 0.8181 -0.2148 1.375 8.48767 -0.77739 6.1982213218 6.1982213218 0.38729456
+N      0.95367600      0.07989110      0.03952369
+C      2.41914176      0.07185931      0.00944535
+C      3.04469124      1.18913152      0.86186474
+C      4.40579223      0.59580110      1.20476455
+O      4.18095584     -0.83323564      1.31615769
+C      3.03072233     -1.16993811      0.63753282
+C      2.59074604     -2.43369713      0.57621195
+H      0.59513944     -0.81700913     -0.29677679
+H      0.60269206      0.78638701     -0.61173180
+H      2.83151255      0.14594247     -1.02065986
+H      2.43036606      1.31917570      1.76511377
+H      3.11908922      2.15074612      0.33645368
+H      5.15067110      0.77452534      0.40957471
+H      4.81918899      0.93889288      2.16216103
+H      1.67853361     -2.67720972      0.03597839
+H      3.12927152     -3.24280282      1.06583609 
+
+13
+-1380.2708764466975 10.378716 10.64771 -7.6614 -5.6739 -7.843 0.8548 -0.1113 0.556 7.36177 -0.02778 4.227860607 6.2084873626 0.367679543
+N      0.91482895      0.11540131      0.00200998
+C      2.30945320      0.14613816     -0.02968316
+C      3.16785075      1.21971699     -0.02486468
+N      2.80288682      2.57481029     -0.06168689
+C      4.49966373      0.68318941     -0.07869470
+C      4.36372720     -0.67655912     -0.11090537
+O      3.04927896     -1.04236052     -0.09579381
+H      0.49279695     -0.21428458     -0.86973634
+H      0.54269766     -0.43998198      0.77523662
+H      3.37349113      3.15654581      0.55067022
+H      1.81487256      2.69102980      0.16883558
+H      5.43251517      1.23939155     -0.09873999
+H      5.08287691     -1.48796712     -0.14444746 
+
+17
+-1623.1259173805233 10.752956 11.67389 -8.7531 -6.5911 -10.096 0.7344 -0.274 2.818 9.57681 -2.59017 8.0139838932 12.8551288506 0.102792716
+N      0.91812933      0.03155575      0.08955465
+C      2.37540688      0.01168483     -0.00302746
+C      3.13635864      1.03792513      0.87596163
+C      4.18413728     -0.05432924      1.20351400
+O      5.33459232     -0.04086023      0.34382658
+C      3.11807091     -1.11613361      0.79594924
+N      3.62849821     -2.34128621      0.22643491
+H      0.52171611     -0.73989657     -0.45536469
+H      0.54984842      0.88855012     -0.33349572
+H      2.76420125      0.03587214     -1.04341016
+H      2.53886788      1.29915064      1.76156700
+H      3.51073515      1.96141350      0.40949665
+H      4.57277093     -0.11395602      2.22894904
+H      5.12192433      0.49752049     -0.43775189
+H      2.49436625     -1.34516303      1.67746730
+H      4.34542222     -2.12851631     -0.47201742
+H      2.89390390     -2.89591139     -0.21571366 
+
+12
+-1309.1829660459143 9.589601 9.93728 -7.6829 -5.6631 -7.982 0.8415 -0.2189 0.418 7.53671 0.09696 4.223335118 6.2305320734 0.362584176
+N      0.90282950      0.00363410     -0.25229889
+C      2.29708934     -0.00396529     -0.04982064
+C      3.11844440      1.08053140      0.11775664
+O      2.82388869      2.39399577      0.30378882
+O      4.44172109      0.69525900      0.19139132
+C      4.44431074     -0.67162437      0.06005075
+C      3.17207752     -1.14538188     -0.08808454
+H      0.49351903      0.89702787      0.02221023
+H      0.43613310     -0.74299204      0.26261238
+H      3.17576372      2.91959735     -0.44069373
+H      5.41854941     -1.14540159      0.08427149
+H      2.88325346     -2.18370032     -0.22346384 
+
+12
+-1314.2169220699402 9.064014 9.57517 -9.5114 -7.4111 -9.959 0.762 -1.0069 0.069 10.37194 0.56327 4.3203417644 12.441499156 0.306598934
+N      0.95233871     -0.01797496     -0.08689177
+C      2.41315862     -0.09863491      0.03182856
+C      3.05221684     -1.29957996     -0.60859055
+C      3.93055232     -0.86543079     -1.51577918
+O      3.98642066      0.52696777     -1.64591469
+C      3.04735741      1.05618845     -0.76105447
+O      2.81730458      2.23538451     -0.68811018
+H      0.66425782      0.94183873      0.12764470
+H      0.51523739     -0.62103927      0.61294406
+H      2.78655453      0.01049174      1.07410271
+H      2.85978903     -2.33689536     -0.35225521
+H      4.61269211     -1.39602595     -2.17419398 
+
+16
+-1557.170321152596 9.97794 11.01101 -9.3957 -7.1229 -10.632 0.9131 -0.0922 2.655 10.05259 -2.41934 8.3891655292 11.9209067392 0.102718879
+N      0.88553745      0.02914484      0.16768408
+C      2.33346647      0.05907586     -0.01395231
+C      3.11364625      1.08763329      0.85179298
+C      4.16256548     -0.00628103      1.18788250
+O      5.38362212      0.02626322      0.45076971
+C      3.13596890     -1.07098878      0.67606315
+O      3.62614488     -2.08427647     -0.19164586
+H      0.48116073     -0.72557802     -0.39427959
+H      0.47248078      0.89690213     -0.18501243
+H      2.66226467      0.11699922     -1.07168443
+H      2.53266028      1.37974144      1.73868418
+H      3.49824510      1.98801659      0.35370510
+H      4.46549168     -0.08862644      2.23985190
+H      5.16220346      0.03707956     -0.49900248
+H      2.55148861     -1.49734116      1.51184295
+H      4.53490314     -2.29090424      0.09590056 
+
+14
+-1460.2330393562604 9.312848 10.15293 -9.7469 -7.5072 -11.015 0.9316 -0.4363 0.203 10.24149 0.44085 4.3331619168 12.2423900386 0.119593268
+N      0.96848961      0.05175143      0.03682300
+C      2.42262017      0.13235395      0.00042652
+C      3.05395887      1.22021950      0.87634035
+C      4.41257649      0.60294655      1.21695026
+O      4.19134630     -0.83907527      1.25235389
+C      3.04185838     -1.14473057      0.57906382
+O      2.61453812     -2.27233631      0.48017856
+H      0.69821838     -0.92665602     -0.10822360
+H      0.55499852      0.59484752     -0.72175522
+H      2.83992376      0.20658444     -1.02772434
+H      2.43611776      1.34101392      1.77814605
+H      3.15130708      2.19444511      0.38019595
+H      5.17492610      0.80816513      0.44894357
+H      4.80480045      0.89249061      2.19907117 
+
+18
+-1762.3961022584974 10.915102 11.8895 -8.9609 -6.76 -10.592 0.811 -0.1713 2.991 10.02066 -2.74814 8.5598322582 10.6503106098 0.155346756
+N      0.99196866      0.02739368      0.12084418
+C      2.46548592      0.01655960      0.04879694
+C      2.94180894     -1.32440929     -0.53919568
+C      2.61353732     -1.43747085     -2.02825162
+O      3.17110156     -0.34750776     -2.77280456
+C      2.61594706      0.89669927     -2.32888337
+C      2.94434961      1.16377899     -0.85969362
+H      0.67268368      0.90649826      0.53593511
+H      0.67091930     -0.71715986      0.74504123
+H      2.93988731      0.14420848      1.04349473
+H      2.48279525     -2.16476396      0.00918172
+H      4.03226892     -1.40509470     -0.40390642
+H      3.04925681     -2.35048759     -2.45862901
+H      1.51715163     -1.46658411     -2.17530729
+H      3.05362348      1.66996780     -2.97630895
+H      1.51961632      0.88993719     -2.47894946
+H      4.03504390      1.27369938     -0.74901990
+H      2.48741435      2.11666548     -0.54217404 
+
+14
+-1521.2818940347454 11.200298 11.08833 -8.4416 -6.5966 -9.082 0.8884 -0.6197 -0.265 8.78625 0.94545 3.6600543214 4.6906507506 0.402512797
+N      1.02823237      0.04600010      0.03441659
+C      2.38837930     -0.01839174     -0.03149536
+C      3.17772321     -1.13119562     -0.10571016
+C      4.57925350     -0.75401457     -0.21538432
+O      5.55847733     -1.49288976     -0.29221629
+C      4.64842862      0.78938967     -0.21827078
+C      3.19295488      1.26274701     -0.08249087
+H      0.49627482     -0.79632762      0.22464275
+H      0.58624703      0.92148321      0.29192028
+H      2.84268515     -2.16721378     -0.08691350
+H      5.12153421      1.12424035     -1.15206047
+H      5.29174076      1.12448806      0.60700513
+H      2.86312626      1.88541029     -0.92986424
+H      3.02277255      1.85431441      0.83273122 
+
+12
+-1368.5217719882937 11.010708 10.5501 -8.2151 -6.2681 -8.663 -0.5759 -2.2934 -1.417 8.04173 1.7524 2.6508454772 5.9292956878 0.458967277
+N      1.02949769      0.06324780     -0.08731190
+C      2.38257467     -0.05948327     -0.02882702
+C      3.16459498     -1.18290470     -0.01493616
+C      4.55907318     -0.73968562      0.01171599
+O      5.58686343     -1.41317228      0.03618692
+C      4.52828565      0.79308467      0.00905172
+C      3.24417744      1.17279507     -0.01718026
+H      0.44023950     -0.75434662      0.02398371
+H      0.59854512      0.96368304      0.08904570
+H      2.85157212     -2.22248359     -0.01703395
+H      5.42400608      1.40921397      0.02352926
+H      2.84002017      2.18561153     -0.03334401 
+
+18
+-1745.9063546502514 11.172965 12.27174 -9.0453 -6.8972 -10.147 0.7748 -0.2005 2.907 9.69611 -2.5739 7.9293014552 10.54128972 0.158786657
+N      0.77999369      0.42093155     -0.68825381
+C      2.10309904      0.16407959     -0.12171450
+C      2.14243383      0.34310622      1.39300978
+C      0.86500398     -0.14446419      2.09630149
+O      0.42135240     -1.42074034      1.64108829
+C      2.87901295     -0.96666204     -0.74092390
+C      3.36783506      0.46311493     -0.90524070
+H      0.78483626      0.22596314     -1.69216794
+H      0.54140230      1.41342566     -0.59159197
+H      2.28627601      1.41066537      1.64261605
+H      3.02085996     -0.19398451      1.78299792
+H      0.06447187      0.60846989      1.96801487
+H      1.04932554     -0.24053495      3.17701649
+H      0.17292934     -1.26288541      0.70658285
+H      2.45026977     -1.45876433     -1.61668849
+H      3.42746571     -1.63578748     -0.07759181
+H      4.25992670      0.77118718     -0.35609140
+H      3.25889558      0.92404970     -1.88869322 
+
+14
+-1483.573100385729 10.72121 10.91445 -8.5211 -6.4307 -8.781 0.8472 -0.1543 1.04 8.48414 -0.72473 5.250683114 6.841423494 0.564995718
+N      0.90387806     -0.01165467     -0.15018865
+C      2.39649668     -0.00511803     -0.12092816
+C      2.88977625      1.22532611      0.59524049
+C      3.52146047      1.17873676      1.77393919
+O      3.84642490      0.02102891      2.44704472
+C      3.53142352     -1.14970152      1.79203448
+C      2.90019948     -1.21999053      0.61424978
+H      0.58967417     -0.83512089     -0.67510618
+H      0.58279301      0.79813437     -0.69195329
+H      2.81163833     -0.01143984     -1.15247597
+H      2.71074795      2.20569210      0.15071111
+H      3.86762821      2.05227961      2.32496281
+H      3.88508713     -2.01160341      2.35646405
+H      2.72968184     -2.20861897      0.18491562 
+
+16
+-1624.4959795226719 10.983326 11.52756 -9.2755 -7.0523 -9.383 0.9332 -0.4161 1.193 8.85054 -0.56463 6.2689429362 6.2689429362 0.323899094
+N      0.97592677      0.00005694     -0.03719472
+C      2.45929061     -0.01784766     -0.04471142
+C      2.98408975     -1.30009333      0.64369743
+C      3.34390987     -0.90141671      2.09781485
+O      4.52665433     -1.53907777      2.60833047
+C      3.43875398      0.60410329      2.02268247
+C      2.98792708      1.08009449      0.85534183
+H      0.62942494     -0.65110391     -0.74802568
+H      0.64126007      0.92577483     -0.31918131
+H      2.87329927      0.08258998     -1.06877544
+H      3.90572373     -1.64258956      0.14698326
+H      2.25474305     -2.12001132      0.59708575
+H      2.55645291     -1.20248161      2.80800427
+H      5.27134367     -1.24455880      2.05172950
+H      3.81675677      1.19793691      2.85673266
+H      2.93776318      2.13579424      0.57897608 
+
+16
+-1624.9184801925026 10.920462 11.41426 -8.5349 -6.4682 -9.04 0.8628 -0.1486 1.253 8.5729 -0.69012 6.0262403412 6.0262403412 0.282468362
+N      0.96498316      0.21576346     -0.25712543
+C      2.37099719      0.02393875      0.17762533
+C      3.20490672      1.25349321     -0.22756630
+C      3.49830718      1.19066519     -1.71816944
+O      4.29594397      0.02814925     -2.05820971
+C      3.88249076     -1.11674522     -1.44804524
+C      2.97861381     -1.19861991     -0.45333481
+H      0.44325883      0.72304699      0.46313382
+H      0.50905499     -0.69299402     -0.36485585
+H      2.44316488     -0.09687485      1.27729305
+H      2.65419031      2.17998636     -0.00546931
+H      4.14794410      1.27304820      0.34162520
+H      4.07944565      2.05080415     -2.07378366
+H      2.54734931      1.12756482     -2.27456104
+H      4.39824741     -1.98676665     -1.85952534
+H      2.73024173     -2.18597972     -0.06135128 
+
+11
+-1239.1778286844742 9.929634 9.56588 -9.1188 -7.2045 -9.33 0.4385 -1.2583 -0.583 8.72208 1.10971 4.093769748 7.1090968694 0.298413236
+N      0.95132129     -0.11632254      0.12927964
+C      2.23062606      0.01815003      0.03566105
+C      2.99325254      1.26693163     -0.03484632
+C      4.33426791      1.23973531     -0.13368429
+O      5.04686855      0.06546865     -0.17231784
+C      4.27612606     -1.08227127     -0.10026627
+N      3.01046187     -1.17003995     -0.00571310
+H      0.51062310      0.81361506      0.14931650
+H      2.48223561      2.22955551     -0.00816455
+H      4.98889928      2.10780906     -0.19225048
+H      4.92353775     -1.96197148     -0.13615433 
+
+13
+-1388.7896703650126 9.900034 10.36362 -9.0766 -7.0927 -10.09 0.624 -1.2248 -0.085 9.97711 0.83679 3.713814651 6.121498785 0.118553413
+N      1.09282333     -0.04960539      0.39412788
+C      2.33445587     -0.03784566      0.06924588
+C      3.13610832      1.23867064     -0.08646932
+C      4.49494189      0.80852189     -0.61213041
+O      5.42755828      1.52175122     -0.91953496
+C      4.50334223     -0.72590648     -0.70481984
+N      3.19970359     -1.09734082     -0.18416106
+H      0.72481045     -1.00990759      0.44769068
+H      3.24944650      1.76063519      0.87561776
+H      2.64945946      1.94502223     -0.77307236
+H      4.66268368     -1.01928456     -1.75774289
+H      5.34147513     -1.12711144     -0.11110588
+H      2.83754128     -2.04101924     -0.28036549 
+
+11
+-1246.5611953356918 10.374747 9.82771 -8.5937 -6.7006 -8.958 -0.9172 -2.732 -1.766 8.30076 2.13323 2.742446334 6.1006319412 0.411605958
+N      1.08391609      0.07400445      0.00827164
+C      2.41532888     -0.11449498      0.00675686
+C      3.19070955     -1.24475901     -0.00507987
+C      4.56122471     -0.77617074     -0.00057533
+O      5.63652293     -1.37172811     -0.00650214
+C      4.40708720      0.76308230      0.01504896
+N      3.17784371      1.13429473      0.01965228
+H      0.43042926     -0.69904261     -0.00273731
+H      0.73686929      1.02806818      0.01994860
+H      2.87450776     -2.28195272     -0.01500141
+H      5.24117062      1.46937852      0.02162771 
+
+13
+-1385.2520850470657 10.337101 10.69506 -7.4927 -5.5732 -7.843 0.789 -0.145 0.925 7.38098 -0.32714 4.5944376146 6.0528849326 0.383112689
+N      0.95007359     -0.22289575     -0.01926923
+C      2.35420150     -0.01925543     -0.00970977
+C      3.16940647      1.10604994      0.10322731
+C      4.51690756      0.65012115      0.04256220
+O      5.67361661      1.39643575      0.11166837
+C      4.50812201     -0.72798689     -0.10415890
+N      3.17849558     -1.11099148     -0.13331144
+H      0.50020121      0.28300637     -0.78469145
+H      0.51671537      0.08671738      0.85300073
+H      2.82484374      2.13081830      0.21692758
+H      5.42283421      2.32975480      0.21375091
+H      5.32185596     -1.43776447     -0.18769219
+H      2.82576620     -2.05627966     -0.23461410 
+
+12
+-1310.4584819649124 9.729318 10.04979 -7.4669 -5.477 -7.905 0.7511 -0.2035 0.516 7.44123 0.02283 4.215709979 6.3982603342 0.38250751
+N      0.98556191     -0.03756396     -0.22414540
+C      2.36175778      0.10807443     -0.07865310
+C      3.19256218      1.20167949     -0.03776956
+C      4.52434968      0.66149010      0.02230443
+O      5.70516378      1.35677305      0.08393601
+C      4.42489697     -0.70028992      0.01350736
+O      3.07291730     -1.04919755     -0.04844393
+H      0.46140241      0.73709407      0.17684123
+H      0.65096703     -0.92783370      0.14372263
+H      2.89860728      2.24675106     -0.05691776
+H      5.50234042      2.30630537      0.04410006
+H      5.13412327     -1.51550245      0.04467802 
+
+13
+-1402.593284464008 10.457731 10.44963 -8.5819 -6.6665 -9.235 0.7067 -0.552 -0.152 8.66549 0.71967 4.2019227358 11.6051019986 0.377183144
+N      1.02683653      0.06865607      0.24562002
+C      2.38222384     -0.02762815      0.03223824
+C      3.17610377     -1.12155517     -0.08508739
+C      4.57911615     -0.69200101     -0.22160082
+O      5.60044921     -1.37197685     -0.26169516
+N      4.54818430      0.71197713     -0.31584645
+C      3.22561158      1.22891479     -0.02111853
+H      0.47211559     -0.75921013      0.04854946
+H      0.57515849      0.93562507     -0.03089808
+H      2.88346451     -2.16773140     -0.07162517
+H      5.38564551      1.22621310     -0.06029370
+H      2.86447635      1.92047509     -0.80425134
+H      3.17925416      1.76027147      0.94670891 
+
+11
+-1246.7799152237421 10.144507 9.75267 -8.8906 -6.9243 -9.296 -0.8872 -2.6865 -1.664 8.71312 1.88867 3.064251997 6.1776396458 0.573369484
+N      1.00783679      0.06524796     -0.08325076
+C      2.35645542     -0.08369513     -0.02483767
+C      3.16354790     -1.17959978     -0.01398207
+C      4.54233200     -0.67632361      0.01328146
+O      5.58931343     -1.29022875      0.03441339
+N      4.51703337      0.83053952      0.01580866
+C      3.26929862      1.11746231     -0.00930476
+H      0.39569257     -0.73567003      0.02604708
+H      0.59607526      0.97655000      0.08577482
+H      2.90363243     -2.23269232     -0.02039117
+H      2.90084220      2.15070984     -0.01903898 
+
+15
+-1471.9389288427608 10.263597 10.60062 -9.1699 -7.2299 -10.433 0.9033 -0.5554 0.45 9.95847 0.15458 5.0291945236 6.4453254198 0.208701808
+N      0.97598829      0.16547909     -0.26571834
+C      2.38419494      0.04972735      0.16934540
+C      3.16038588      1.31424855     -0.21632372
+C      3.51019362      1.19172210     -1.68752066
+O      4.38307534      0.05752113     -1.92630511
+N      3.98001010     -1.15341343     -1.36856526
+C      3.04814812     -1.14107958     -0.47496714
+H      0.44320433      0.69238111      0.43182915
+H      0.54339950     -0.75947164     -0.32752971
+H      2.47442151     -0.11582265      1.26257291
+H      2.54791475      2.21077370     -0.04082657
+H      4.07797274      1.40062285      0.38597651
+H      4.07450940      2.04845043     -2.07649128
+H      2.58707359      1.05097463     -2.27689884
+H      2.79606789     -2.14307366     -0.11091732 
+
+12
+-1333.1093098911854 9.740899 9.82365 -8.9837 -7.0571 -9.44 0.7283 -0.8062 -0.456 8.85764 1.03934 4.2806290486 4.846240782 0.391831836
+N      1.00457660      0.05640033      0.16628611
+C      2.36243349     -0.04465491      0.04934690
+C      3.16521013     -1.13234232     -0.06273439
+C      4.55762646     -0.69521375     -0.08334747
+O      5.58878429     -1.32365128     -0.17458551
+O      4.57638766      0.71518691      0.02179947
+C      3.23334247      1.18509738      0.11608956
+H      0.44174735     -0.75493668     -0.06825186
+H      0.56843806      0.94968074     -0.03896407
+H      2.88476037     -2.17900558     -0.13087736
+H      3.02993050      1.88033733     -0.71729976
+H      3.09842261      1.72758184      1.06721837 
+
+17
+-1614.3504688737062 10.725085 11.78127 -8.9128 -6.7482 -10.245 0.76 -0.225 2.823 9.77331 -2.54312 8.1129247212 10.0267230228 0.092912676
+N      0.92024982      0.04319015      0.04296563
+C      2.38079938      0.02362997      0.01231331
+C      3.12098546      1.01252678      0.93822917
+N      4.08409495     -0.06677951      1.37058967
+C      3.09570832     -1.07860076      0.83082728
+C      3.70586088     -2.28123649      0.14663707
+O      4.43082911     -3.11365971      1.05740158
+H      0.54456111     -0.69958184     -0.55296154
+H      0.57763736      0.92080722     -0.35829785
+H      2.82369108      0.06842454     -1.00573788
+H      2.49080516      1.31307846      1.78986901
+H      3.58323191      1.90260040      0.48928018
+H      4.87207511     -0.03835218      0.70981578
+H      2.44894461     -1.40775776      1.66232052
+H      4.36010449     -1.94418820     -0.68511541
+H      2.91618183     -2.91520208     -0.28871500
+H      4.92423942     -2.52250898      1.65523847 
+
+17
+-1620.1184453808671 10.861938 11.99844 -8.6382 -6.4859 -9.896 0.7479 -0.2271 2.999 9.54168 -2.66681 7.9345584616 11.3662677668 0.18842739
+N      1.06802019     -0.14099976     -0.07249624
+C      2.51076724     -0.09591198      0.02618763
+C      3.28929104     -0.71208773     -1.13968008
+N      2.64454349     -1.34171823     -2.27129932
+C      3.22413303      0.78679390     -0.98463411
+C      4.45609023      1.56811562     -0.60331832
+O      5.28817460      1.86970514     -1.73117149
+H      0.64929944      0.69893481      0.33322936
+H      0.69781361     -0.94018751      0.44737355
+H      2.97558629     -0.16654590      1.01956832
+H      4.24144797     -1.18182843     -0.87501264
+H      1.69088412     -0.96887470     -2.33725180
+H      2.53439921     -2.34271995     -2.08110716
+H      2.55774116      1.29001222     -1.69282267
+H      5.02562574      1.01168514      0.16779586
+H      4.18568449      2.54399521     -0.16965929
+H      5.36179813      1.05097215     -2.25474160 
+
+15
+-1501.2826134537568 10.540139 11.27962 -9.029 -7.0735 -10.154 0.6288 -0.3868 0.505 9.72068 0.1273 4.3885588616 5.9544648458 0.211194286
+N      1.02234668     -0.00730927      0.40158090
+C      2.40234691      0.02700215     -0.06884949
+C      3.29052563      1.06594404      0.67810361
+N      4.13820545     -0.04514565      1.12637000
+C      3.29894110     -1.09962217      0.53397984
+C      5.17396010     -0.05868941      2.00048438
+O      5.67663057      0.94419714      2.50320746
+H      0.50685863     -0.75344273     -0.07328942
+H      0.54990074      0.86637355      0.15378177
+H      2.51937756      0.09785376     -1.16547455
+H      2.77482483      1.57447204      1.50783949
+H      3.81613332      1.80411682      0.05526811
+H      3.82207958     -1.74019287     -0.19196643
+H      2.76791712     -1.71447414      1.27761231
+H      5.53192179     -1.09722327      2.20246203 
+
+17
+-1633.880169972262 10.555699 11.39077 -8.7771 -6.6531 -10.241 0.7195 -0.3044 2.803 9.57864 -2.52335 8.16261831 12.5900095868 0.092715257
+N      0.99180722      0.01348598      0.00354173
+C      2.45483572      0.02697511      0.01703682
+C      3.06754699      1.12229675      0.90683900
+N      4.43487441      0.66953133      1.21421234
+C      4.29713633     -0.79210670      1.40577366
+C      3.03762269     -1.27067774      0.62188914
+O      3.26831557     -2.30730169     -0.34201230
+H      0.66402061     -0.80518349     -0.51658506
+H      0.63232368      0.83035997     -0.49669593
+H      2.90729135      0.13228668     -0.99763351
+H      2.48403958      1.19478472      1.84148246
+H      3.08260688      2.11712997      0.43919864
+H      5.02593204      0.84385239      0.39684948
+H      5.20154021     -1.32644597      1.08185965
+H      4.16621250     -0.99911624      2.48077057
+H      2.29430659     -1.70343043      1.30891854
+H      3.89637761     -1.96017063     -1.00200522 
+
+15
+-1532.098936830132 10.158465 10.89082 -9.1978 -7.1889 -10.544 0.6864 -0.3123 0.613 9.62712 0.06358 4.37174636 12.7820143064 0.264435254
+N      0.97322239      0.03671214      0.04143277
+C      2.43867000     -0.00719359     -0.00140950
+C      3.06207221      1.14611429      0.82301589
+N      4.32801143      0.57017810      1.25604847
+C      4.34767128     -0.80729390      1.27034787
+O      5.25445876     -1.50991141      1.69778226
+C      3.01525956     -1.26221488      0.66459968
+H      0.59292340     -0.77165027     -0.45786417
+H      0.63221959      0.85983813     -0.46397431
+H      2.85330248      0.05889308     -1.02758759
+H      2.39985584      1.39126068      1.67260356
+H      3.21905357      2.05440614      0.22201251
+H      5.04510942      1.09274563      1.75163532
+H      3.16667998     -2.11323831     -0.01069939
+H      2.36140008     -1.58777583      1.49102662 
+
+13
+-1384.7080165787697 10.278186 10.4818 -7.5535 -5.6563 -8.055 0.8327 -0.1262 0.839 7.53847 -0.30834 4.714443664 6.0074688608 0.366127859
+N      0.91488041     -0.22678729     -0.00109886
+C      2.33557026     -0.05530156      0.01736262
+C      3.14925151      1.06794003      0.12542489
+N      4.45125901      0.63151711      0.08666812
+C      4.50689159     -0.75025597     -0.04447255
+C      3.19542738     -1.18883956     -0.08851666
+O      2.74605931     -2.47287733     -0.21116293
+H      0.47561256      0.25921734     -0.78500477
+H      0.47253468      0.10333957      0.85863696
+H      2.90422314      2.12032634      0.22441814
+H      5.26378451      1.23170392      0.14365311
+H      5.44699419     -1.28589733     -0.09382176
+H      1.76737147     -2.38257526     -0.20452631 
+
+13
+-1385.8417782542479 10.405446 10.67067 -7.0384 -5.1164 -7.72 0.8791 -0.1048 0.997 7.24375 -0.43293 4.5462814522 5.8840531964 0.368509431
+N      0.90610553      0.00194856     -0.23550695
+C      2.31195240     -0.00228368     -0.07866389
+C      3.15490344      1.09224931     -0.01104919
+N      4.46638009      0.60138154      0.03959672
+C      4.43728448     -0.76068451      0.01480162
+O      5.63419476     -1.42514475      0.06535392
+C      3.12252487     -1.18729764     -0.06205504
+H      0.50084882      0.90691198      0.00243574
+H      0.45931838     -0.71115511      0.34176415
+H      2.95345010      2.15693256     -0.00637065
+H      5.31313336      1.15437713      0.08755537
+H      5.44567219     -2.37833453      0.02985928
+H      2.77738159     -2.21549084     -0.12237107 
+
+16
+-1596.5965768050874 11.064394 11.71355 -9.4036 -7.2542 -9.567 1.198 -0.2147 1.208 9.05056 -0.62945 6.586508278 6.586508278 0.400854524
+N      0.77396109      0.41027653      0.42598322
+C      2.12296258      0.00293187      0.04498823
+C      3.24537632      0.81730764      0.75970913
+O      3.93924982     -0.39650609      1.15191130
+C      2.80548254     -1.20981495      0.74632365
+C      2.22929893      0.06286390     -1.45591619
+C      2.79987449     -0.83242367     -2.26817947
+H      0.64556120      0.31936854      1.43688656
+H      0.07914413     -0.19111717     -0.02395445
+H      2.86959027      1.38036864      1.63376559
+H      3.87028092      1.46984105      0.13128103
+H      3.11398179     -2.07125672      0.13384073
+H      2.22825691     -1.57058363      1.61767432
+H      1.78725601      0.97192225     -1.87973158
+H      3.25998779     -1.75181767     -1.90157040
+H      2.83368522     -0.66435052     -3.34518167 
+
+14
+-1438.614553894964 10.645499 11.55045 -9.5012 -7.346 -9.755 0.8795 -0.1458 2.083 9.4197 -1.67754 4.3683119478 11.0415980272 0.302402872
+N      0.87821473      0.03325743      0.21436447
+C      2.32522132     -0.01676779     -0.00705766
+C      3.07627178      1.01934098      0.88304993
+O      3.60573978     -0.02557489      1.74391078
+C      3.16359460     -1.05564470      0.82160286
+C      2.61637502      0.01162953     -1.43353034
+C      2.88272092      0.00376728     -2.61752611
+H      0.68174022     -0.10344566      1.20975120
+H      0.42078961     -0.72779112     -0.29406864
+H      2.41611607      1.71622963      1.42210749
+H      3.87466735      1.56961172      0.36079114
+H      4.00668584     -1.50206349      0.26898003
+H      2.57235432     -1.84009982      1.32126146
+H      3.11539842      0.00951090     -3.66286661 
+
+16
+-1603.236726445323 11.264119 12.15818 -8.9509 -6.8036 -9.446 0.8166 -0.2218 1.165 8.95558 -0.58847 6.4490573984 6.4490573984 0.421520807
+N      1.04769270     -0.17019218     -0.22875549
+C      2.48396657     -0.13297289     -0.03796028
+C      3.26556605     -0.78009914     -1.16694954
+O      2.52671544     -1.35756859     -2.20779582
+C      3.29193234      0.72452765     -1.01996131
+C      4.46621974      1.49071139     -0.53423525
+C      5.72175950      1.03533725     -0.42737534
+H      0.61307647      0.72396711      0.00849631
+H      0.62416117     -0.88434221      0.36800216
+H      2.89037071     -0.20749511      0.97692778
+H      4.16067385     -1.35466529     -0.92346662
+H      1.59554127     -1.10435772     -2.00428058
+H      2.66041090      1.24416696     -1.74865363
+H      4.25661717      2.52328713     -0.22821280
+H      5.99819165      0.02303762     -0.72979120
+H      6.51924448      1.67012801     -0.03988837 
+
+14
+-1448.6320062957366 11.078413 12.03164 -8.8058 -6.7248 -9.48 0.7161 -0.2865 2.047 9.14976 -1.64715 4.2956313546 9.0098890396 0.37785933
+N      1.08709114     -0.15483495     -0.20714460
+C      2.52071839     -0.07648276     -0.02170986
+C      3.30871817     -0.73162409     -1.12961712
+O      2.59765468     -1.35683814     -2.14971717
+C      3.27576333      0.80422295     -1.02526511
+C      4.42644727      1.53818709     -0.60142040
+C      5.42060059      2.13336467     -0.23087210
+H      0.63150361      0.73045560      0.02297679
+H      0.68665008     -0.87361299      0.39983416
+H      2.93495876     -0.09814995      0.99147001
+H      4.25427931     -1.22348523     -0.89762247
+H      1.65616589     -1.13001262     -1.96101363
+H      2.64525765      1.27541336     -1.78488028
+H      6.29415113      2.66457705      0.08625179 
+
+16
+-1598.3756502906028 11.174592 12.05997 -9.371 -7.1474 -9.456 0.8891 -0.2217 1.329 8.9425 -0.75817 6.6137356036 6.6137356036 0.454991229
+N      0.83590682      0.11160237      0.21546909
+C      2.27935344      0.07607838      0.00055913
+C      3.10731438      1.03419578      0.87203974
+O      3.96327584     -0.04850498      1.33937155
+C      3.05780888     -1.03827009      0.76642987
+C      3.73420014     -2.11593507     -0.00949932
+C      5.05078347     -2.17436414     -0.23768460
+H      0.37804795     -0.59091455     -0.37230710
+H      0.46458972      1.01426429     -0.09486229
+H      2.59711435      0.11078407     -1.05765108
+H      2.51924749      1.47032918      1.69874484
+H      3.68638277      1.81675795      0.35869177
+H      2.40797133     -1.47199933      1.55236950
+H      3.06887252     -2.89954695     -0.39061663
+H      5.71488641     -1.40423146      0.15777356
+H      5.49201449     -2.99194545     -0.80807803 
+
+14
+-1439.4426075153435 10.796282 11.86649 -9.5524 -7.3436 -9.846 0.9484 -0.2795 2.201 9.45298 -1.76356 4.3769289748 10.5671655982 0.521771366
+N      0.89027677      0.06815201      0.11498602
+C      2.34133163      0.00499935     -0.00170469
+C      3.13672942      0.98623655      0.87482820
+O      3.95069865     -0.09240353      1.42636192
+C      3.03322960     -1.09060598      0.86208372
+C      3.69393166     -2.19313389      0.19330677
+C      4.21981056     -3.12096048     -0.38734120
+H      0.46229901     -0.65661574     -0.46835052
+H      0.55342277      0.96066696     -0.25669449
+H      2.73241319     -0.02341342     -1.03432796
+H      2.51397889      1.46199405      1.65251450
+H      3.75550266      1.73804466      0.36339417
+H      2.34226086     -1.46502912      1.64030615
+H      4.69522434     -3.93728142     -0.89188259 
+
+16
+-1549.553664295896 10.005577 11.13449 -9.6017 -7.3796 -10.936 0.7513 -0.2769 2.714 10.30303 -2.45223 8.5215825772 10.139947038 0.087282995
+N      0.87630957      0.15549999      0.12227580
+C      2.32398053     -0.01124809      0.00761069
+C      3.16007994      0.92287666      0.90323359
+O      3.80020950     -0.20296682      1.57564674
+C      2.92396429     -1.14531300      0.86838555
+C      3.74238036     -2.21917577      0.18118219
+O      4.48653858     -2.99168395      1.12177603
+H      0.39882826     -0.60974402     -0.36282060
+H      0.58771283      1.01165828     -0.36002402
+H      2.70497361     -0.04410569     -1.03171392
+H      2.54355340      1.51218613      1.60238219
+H      3.89760153      1.56961382      0.40320791
+H      2.19377949     -1.58859600      1.56804043
+H      4.41082993     -1.74963596     -0.56645949
+H      3.07539893     -2.92046250     -0.34600936
+H      5.00968926     -2.35405309      1.64294627 
+
+16
+-1553.9205752515825 10.09795 11.25407 -9.052 -6.882 -10.426 0.7206 -0.2707 2.797 10.0554 -2.48165 8.2263347154 10.8795979196 0.18788217
+N      1.09897851     -0.20096174     -0.17485630
+C      2.53914186     -0.09603000     -0.04203271
+C      3.29400558     -0.66533874     -1.23124351
+O      2.53669018     -1.24727287     -2.25290078
+C      3.24863978      0.83677478     -1.00916103
+C      4.48546813      1.57740244     -0.56641262
+O      5.31956140      1.96319973     -1.66501934
+H      0.63142964      0.67036597      0.08276600
+H      0.73303817     -0.93829596      0.43084172
+H      2.98165143     -0.20689029      0.95462543
+H      4.23451236     -1.19300073     -1.04986836
+H      1.60413400     -1.05884736     -1.98970408
+H      2.59750514      1.37751105     -1.70298536
+H      5.05021474      0.95888820      0.15984855
+H      4.22177056      2.51729320     -0.05622515
+H      5.42607850      1.17773232     -2.23197246 
+
+16
+-1610.0139424975969 10.345695 11.24878 -9.039 -6.8935 -10.513 0.8221 -0.138 2.993 10.00028 -2.6732 8.4216126654 11.3622382218 0.161008799
+N      1.03553881      0.06713888      0.12684807
+C      2.49095241     -0.06381688     -0.06603463
+C      2.85539123     -1.46543152     -0.60282153
+O      2.98169495     -1.36635867     -2.03549150
+C      3.34160746     -0.02984409     -2.34279546
+C      2.20547184      0.94661162     -2.45711730
+C      3.01857654      0.85830753     -1.17082410
+H      0.80615560      1.03968322      0.34805389
+H      0.74373312     -0.48744550      0.93562499
+H      3.07004672      0.13443243      0.85760271
+H      2.07794018     -2.21357025     -0.38802727
+H      3.81566478     -1.80352257     -0.16898823
+H      4.25173459      0.07210126     -2.93903672
+H      2.34899853      1.83469316     -3.07445427
+H      1.19868380      0.52954687     -2.43496654
+H      3.66859944      1.68845450     -0.89419209 
+
+16
+-1614.869135733791 10.99161 11.70892 -9.2267 -7.0064 -9.288 0.9341 -0.4245 1.241 8.70475 -0.59576 6.3156484624 6.3156484624 0.380188634
+N      0.96075682      0.10883019      0.06665024
+C      2.42368942      0.04047646      0.01849795
+C      3.11221954      1.11727352      0.88287769
+O      4.41769746      0.59374020      1.14903071
+C      4.22464446     -0.80194373      1.42464371
+C      3.01547971     -1.22680440      0.61443096
+C      2.54555774     -2.47003024      0.47891530
+H      0.55581789     -0.81957359     -0.06467537
+H      0.60635318      0.69331104     -0.69233387
+H      2.82434609      0.13090919     -1.01218662
+H      2.52565046      1.25445390      1.81235712
+H      3.23865138      2.08704314      0.38312240
+H      5.14828064     -1.33323767      1.15315624
+H      4.03335567     -0.95882164      2.50540630
+H      1.65628692     -2.69020374     -0.11607679
+H      3.03282262     -3.32314265      0.95406404 
+
+13
+-1376.2804012872657 10.288067 10.50142 -7.7926 -5.8055 -8.039 0.806 -0.2091 0.581 7.46682 -0.11431 4.420906809 5.9689464106 0.424813193
+N      0.90517375     -0.05068715     -0.14109763
+C      2.30910258      0.01305684     -0.02913024
+C      3.16136410      1.08664039     -0.04275357
+O      4.46939278      0.66236024      0.00751943
+C      4.43737840     -0.71258940      0.05162053
+C      3.14262307     -1.16220802      0.02831818
+N      2.61793073     -2.46670481      0.13163343
+H      0.46576105      0.86555372     -0.06330174
+H      0.50519082     -0.66927814      0.56821992
+H      3.00803287      2.15861287     -0.09218119
+H      5.39815516     -1.21173891      0.10501079
+H      1.90653402     -2.63701724     -0.58293510
+H      3.33803067     -3.18386038      0.05559719 
+
+17
+-1632.463867158994 10.606539 11.46938 -9.2121 -7.0401 -10.395 0.7153 -0.3308 2.926 9.82056 -2.65435 8.2410642522 11.8363730844 0.111018242
+N      1.05598324      0.03328703     -0.20103545
+C      2.50566195      0.05974350      0.00221177
+C      2.94181285      1.08940923      1.04225561
+O      4.23114676      0.65309992      1.50858715
+C      4.35433439     -0.76310512      1.27486486
+C      3.03235354     -1.23925850      0.65129308
+N      3.21863460     -2.42423879     -0.18077966
+H      0.81937218     -0.70085753     -0.87490039
+H      0.74371190      0.90822100     -0.63048260
+H      3.08840029      0.22956933     -0.93018867
+H      2.20436668      1.11318082      1.86820897
+H      3.05812113      2.10850518      0.64225790
+H      5.19631588     -0.94282684      0.58089561
+H      4.57642041     -1.27867225      2.22240543
+H      2.31966135     -1.50704195      1.45014229
+H      3.72797813     -2.18838151     -1.03745218
+H      2.32083472     -2.82710352     -0.45494371 
+
+12
+-1306.3796690125482 9.411883 9.78663 -8.1797 -6.1861 -8.423 0.6812 -0.3469 0.313 7.91247 0.16606 4.512904421 6.3400365086 0.342290807
+N      0.90351521     -0.22770242     -0.01636060
+C      2.32083766     -0.05507107      0.02526910
+C      3.14003943      1.03789188      0.14505729
+O      4.44857301      0.65064349      0.12200805
+C      4.47692858     -0.72726334     -0.01543089
+C      3.19275876     -1.19376125     -0.07921619
+O      2.74692744     -2.47067736     -0.21739390
+H      0.47229428      0.29824276     -0.77828835
+H      0.45410978      0.05473784      0.85670703
+H      2.95859868      2.10250156      0.24904556
+H      5.45560022     -1.18781928     -0.05083555
+H      1.76734697     -2.38672282     -0.23574155 
+
+16
+-1566.680178030434 9.798634 10.6906 -9.5053 -7.2965 -10.85 0.8577 -0.1287 2.773 10.24046 -2.50884 8.4718517926 10.8616571454 0.089142303
+N      1.03839069     -0.04331941      0.61851648
+C      2.34334682     -0.07983066     -0.05955772
+C      3.26737989      1.03610147      0.49550493
+O      4.39337593      0.38804729      1.12177056
+C      3.89995289     -0.89671503      1.54572483
+C      3.10901736     -1.37423403      0.33205593
+O      3.96927858     -1.82747867     -0.71583950
+H      0.39495905     -0.69818144      0.16648322
+H      0.61606357      0.88312971      0.51643779
+H      2.28319949     -0.03414400     -1.16232035
+H      2.71449156      1.63326366      1.24501054
+H      3.66513844      1.70606649     -0.27902458
+H      4.76338818     -1.53129650      1.78406021
+H      3.24215921     -0.79886729      2.42942171
+H      2.41758718     -2.19906290      0.55518827
+H      4.71111116     -1.19431870     -0.75688232 
+
+16
+-1553.15367296509 10.10213 11.1391 -9.2483 -7.0961 -10.249 0.7504 -0.2396 2.864 9.77588 -2.54206 7.9144975268 10.8470020002 0.103707437
+N      0.85930102      0.28226673     -0.15973855
+C      2.28182323      0.14860627      0.11821400
+C      2.52614710      0.10277928      1.61791729
+O      1.76446547     -0.93909954      2.22259160
+C      3.09774250     -0.75765818     -0.77671246
+C      3.32994283      0.74217586     -0.79294071
+O      4.48908474      1.29191966     -0.20499528
+H      0.61872471     -0.07161700     -1.08550224
+H      0.56732651      1.26242483     -0.11430080
+H      2.26082483      1.08900701      2.05192519
+H      3.58589355     -0.07875029      1.83705996
+H      0.89884236     -0.90064464      1.76438044
+H      2.62254094     -1.21716433     -1.64620800
+H      3.84680961     -1.37640026     -0.28045722
+H      2.95060656      1.29190880     -1.66424771
+H      5.24646404      1.06525580     -0.77349549 
+
+16
+-1561.085254005508 9.943399 10.92081 -9.6384 -7.4137 -10.82 0.7599 -0.2467 2.643 10.1267 -2.42188 8.3801641456 13.5427304094 0.108928513
+N      0.98445073      0.09595338      0.16853042
+C      2.43855951      0.06778579      0.05788283
+C      3.18075012      1.05794258      1.02464512
+O      2.37097019      1.32976919      2.15449721
+C      4.22696338     -0.05757182      1.28562876
+C      3.18098312     -1.08548884      0.78200695
+O      3.56527027     -2.24682158      0.06472824
+H      0.59962477     -0.85032699      0.13255718
+H      0.55170511      0.62977124     -0.58740254
+H      2.81993036      0.17222448     -0.97402118
+H      3.56225860      1.99415968      0.58306414
+H      1.46121590      1.07798881      1.85928895
+H      5.07721216      0.02645431      0.58982421
+H      4.59894132     -0.15922664      2.31223774
+H      2.56923803     -1.44727794      1.62224275
+H      4.19302643     -1.97374564     -0.62837077 
+
+18
+-1751.907536756238 11.096735 12.05791 -9.3788 -7.2442 -10.488 0.7975 -0.174 2.799 9.86014 -2.51105 8.207377256 12.9629470762 0.078838567
+N      0.89521154     -0.05706728      0.03473459
+C      2.35973995     -0.07310734     -0.00565159
+C      2.75351316     -0.04245137     -1.48766942
+O      2.15901665      1.05951821     -2.16134263
+C      3.04993663      1.05085753      0.81656194
+C      4.13434540      0.02793465      1.25312316
+C      3.19633554     -1.12271177      0.79665848
+H      0.56247576      0.08658128      0.99036645
+H      0.51691393     -0.95472651     -0.28403462
+H      2.45167397     -1.00700118     -1.95158605
+H      3.84524130      0.04824409     -1.59797456
+H      1.26962876      1.13192305     -1.75156168
+H      2.42388111      1.36591122      1.66566592
+H      3.36108686      1.94322651      0.25692599
+H      5.04191822      0.09453859      0.63792538
+H      4.43096431      0.03911135      2.30975690
+H      3.63849066     -1.95308767      0.22456140
+H      2.61522625     -1.53947337      1.63281034 
+
+16
+-1624.8211720317395 10.836767 11.49641 -8.4564 -6.3448 -9.034 0.8605 -0.119 1.25 8.58715 -0.69087 6.0158875102 6.0158875102 0.275469327
+N      1.07625655      0.09001013      0.59049368
+C      2.45128828     -0.00127869      0.08034579
+C      2.69351743      1.17651792     -0.86827971
+O      4.04166589      1.19866128     -1.37834390
+C      4.48351052     -0.02495822     -1.81009751
+C      3.88002598     -1.19991449     -1.56699723
+C      2.65388128     -1.30399852     -0.70005034
+H      1.00133191      0.85301951      1.26854426
+H      0.83925141     -0.76613736      1.09816291
+H      3.22519106      0.04699429      0.87368041
+H      2.55615956      2.14149668     -0.36022392
+H      1.98494566      1.11362578     -1.71288211
+H      5.40828208      0.07163666     -2.38099767
+H      4.32588571     -2.10291029     -1.98402572
+H      1.74762256     -1.50525583     -1.30046398
+H      2.75637414     -2.14904885      0.00252503 
+
+16
+-1623.8910089296003 11.247462 12.01153 -8.3705 -6.2873 -9.086 0.7575 -0.2356 1.357 8.51603 -0.77187 6.2158149352 6.2158149352 0.418938893
+N      0.99980833      0.05697267     -0.12256863
+C      2.45607256     -0.02233801      0.03087278
+C      2.99426450      1.07686140      0.95722316
+O      4.21987368      0.55285668      1.51051236
+C      4.18804049     -0.82949714      1.45464448
+C      5.19180325     -1.57677844      1.93280187
+C      2.90466849     -1.27534184      0.79587992
+H      0.66856213     -0.74024641     -0.67173362
+H      0.74983691      0.88853238     -0.66483094
+H      3.01106513      0.02645020     -0.92767213
+H      2.26618850      1.27348910      1.76408076
+H      3.24055324      2.01835856      0.44645767
+H      5.14647541     -2.66035159      1.85378136
+H      6.05796019     -1.11928858      2.40765649
+H      3.04790489     -2.15945155      0.16107295
+H      2.14146230     -1.51152742      1.55759152 
+
+16
+-1619.30090520673 10.971577 11.45023 -8.9181 -6.7678 -9.192 1.0284 -0.1172 1.231 8.72323 -0.61096 6.2272092486 6.2272092486 0.353214545
+N      0.95057701      0.20761590      0.11000551
+C      2.42114119      0.12032056      0.25387377
+C      3.08490704      1.29670357     -0.46675027
+O      3.09888285      1.09351368     -1.88628669
+C      3.94892480      0.00349491     -2.23895624
+C      3.72064696     -1.22095961     -1.39995800
+C      3.01558624     -1.17276582     -0.26046402
+H      0.51189524     -0.58566078      0.58665530
+H      0.72547160      0.09313453     -0.88409682
+H      2.64373197      0.22080599      1.33099316
+H      2.51227990      2.21773265     -0.29529058
+H      4.11878374      1.43406416     -0.09342895
+H      5.01607111      0.31372812     -2.17486228
+H      3.74077590     -0.20973153     -3.29943867
+H      4.15114731     -2.15858041     -1.76295672
+H      2.83191715     -2.08356591      0.31734151 
+
+15
+-1505.8043374632584 10.398641 10.91743 -8.8338 -6.8658 -9.733 0.7458 -0.2558 0.952 8.9571 -0.33792 5.0158660286 6.1494700266 0.181693927
+N      1.16550711     -0.02593153      0.56433000
+C      2.34393800      0.05529243      0.05132800
+C      3.12358101     -1.24006782     -0.12309340
+O      4.05754264     -1.22598979     -1.20510921
+C      4.93233348     -0.10776017     -1.07856947
+C      4.15238909      1.18851584     -1.23037696
+N      3.04802850      1.20872490     -0.26461986
+H      0.74918684      0.90649048      0.70669096
+H      2.41081221     -2.04959192     -0.31352769
+H      3.65128221     -1.45140643      0.82919678
+H      5.44778726     -0.13319533     -0.09743008
+H      5.68237984     -0.19859572     -1.87598656
+H      4.81494997      2.04618689     -1.03558254
+H      3.78037251      1.26600108     -2.26869140
+H      2.48156934      2.05576710     -0.27006858 
+
+13
+-1370.876087945129 10.439107 10.32728 -7.7926 -5.9154 -8.623 1.3775 -0.2811 0.558 8.09955 -0.06145 4.8302341894 4.96129979 0.13191224
+N      0.87461979     -0.11480408      0.27273864
+C      2.14415330     -0.05347967      0.06286204
+C      2.98222907      1.20288647     -0.12862411
+O      4.29303530      1.12341383      0.46749271
+C      4.95086774     -0.04809549      0.15506120
+C      4.28356358     -1.18239495     -0.12116688
+N      2.88253095     -1.20562451     -0.09554237
+H      0.47666772      0.82890042      0.33327390
+H      2.48787625      2.06101773      0.34118787
+H      3.09040528      1.39533504     -1.21359688
+H      6.03476229      0.03236421      0.18746962
+H      4.79263599     -2.10851287     -0.37281960
+H      2.37764274     -2.08478613     -0.01980615 
+
+13
+-1380.4730255394086 10.566259 10.79155 -7.2313 -5.2595 -7.682 0.8514 -0.0867 0.71 7.17516 -0.18003 4.1953390792 6.0933167672 0.38774232
+N      0.98432153     -0.04862033     -0.24868874
+C      2.35839461      0.09981075     -0.07469167
+C      3.18010022      1.19380654      0.02767791
+C      4.52351627      0.67362262      0.07946740
+N      5.67625816      1.45802230      0.27366565
+C      4.42353942     -0.68922097      0.00364783
+O      3.07485073     -1.05485035     -0.08534160
+H      0.45712186      0.73375205      0.13316134
+H      0.64068252     -0.93036686      0.13149298
+H      2.87790803      2.23521526      0.07736668
+H      5.65345046      2.31818589     -0.27331441
+H      6.53403074      0.95134285      0.05942868
+H      5.13221546     -1.50713976      0.02150795 
+
+17
+-1618.809239366318 10.600737 11.44126 -9.0368 -6.8314 -10.424 0.8139 -0.1762 2.747 9.93689 -2.43638 8.1854565312 13.2731724468 0.073297045
+N      0.96396625     -0.05237564      0.13331579
+C      2.40975480     -0.07211699     -0.12771911
+C      2.59777109     -0.06684132     -1.64142719
+O      1.88175040      1.00698606     -2.23952013
+C      3.13775841      1.02896749      0.69245274
+N      3.52623866     -0.00742706      1.68994808
+C      3.26696736     -1.08406011      0.69599560
+H      0.79008495      0.13113565      1.12433829
+H      0.55848971     -0.97101910     -0.07210569
+H      2.26648615     -1.04735950     -2.04895877
+H      3.66133841      0.05415062     -1.89733206
+H      1.06305716      1.06981432     -1.69967098
+H      2.51206748      1.84129449      1.09497841
+H      3.97469429      1.46982548      0.12290930
+H      4.49185957      0.05139825      2.01857406
+H      4.15852109     -1.42059497      0.13313500
+H      2.74334424     -1.96503766      1.10202665 
+
+12
+-1310.678164880842 9.611592 10.00978 -7.594 -5.5934 -8.049 0.787 -0.2223 0.475 7.56057 0.03779 4.3068272904 6.1716015276 0.388242903
+N      0.90361663      0.00795085     -0.23143447
+C      2.30042423     -0.00880278     -0.06892125
+C      3.16282889      1.05175776      0.01063896
+O      4.48096930      0.58541389      0.05797861
+C      4.40387686     -0.75941015      0.02012468
+O      5.61402032     -1.36664462      0.07011551
+C      3.11042815     -1.20307728     -0.06053972
+H      0.49314110      0.91173384     -0.00140695
+H      0.44055547     -0.71809787      0.31434887
+H      3.04643425      2.12772956      0.01979646
+H      5.46688025     -2.32798158      0.04433827
+H      2.76973455     -2.23129161     -0.12968897 
+
+16
+-1562.0495236077754 9.866147 10.75598 -9.3423 -7.0785 -10.631 0.8065 -0.2033 2.863 9.96656 -2.59556 8.3050534268 11.4969862066 0.126960487
+N      0.99311310      0.00317979      0.08772087
+C      2.45287310     -0.00530326     -0.01761117
+C      2.94481790     -1.33633938     -0.60867363
+O      2.63117083     -1.46423972     -1.99775728
+C      3.16050387     -0.36871218     -2.71809015
+O      2.62193892      0.87496490     -2.31502588
+C      2.93504258      1.12400248     -0.94236970
+H      0.66861302      0.88517934      0.48946856
+H      0.67500994     -0.74303630      0.70948821
+H      2.98007182      0.12859253      0.95398425
+H      2.47475841     -2.19440457     -0.10604141
+H      4.04253273     -1.40734643     -0.46274814
+H      4.26922252     -0.34811565     -2.59845359
+H      2.88292158     -0.51236585     -3.76923940
+H      4.03201983      1.23984508     -0.82174077
+H      2.45781986      2.08126923     -0.68590076 
+
+16
+-1550.4929667795197 9.907813 10.79292 -9.6821 -7.469 -10.734 0.7012 -0.3377 2.547 10.13532 -2.25607 8.1308530968 13.2661672378 0.063837506
+N      0.85788062     -0.09535210      0.02354251
+C      2.31651399     -0.06968863     -0.02604872
+C      2.72746470     -0.02765048     -1.49916198
+O      2.11861544      1.06553056     -2.17286337
+C      2.98160427      1.03384686      0.82503557
+O      3.94059002      0.08241476      1.37343190
+C      3.18775291     -1.03445441      0.82418748
+H      0.51856149      0.01015764      0.98177395
+H      0.49841159     -0.98622682     -0.33154782
+H      2.45715253     -0.99592409     -1.97387577
+H      3.81825505      0.09121594     -1.58294887
+H      1.21458268      1.11265023     -1.79547262
+H      2.32406041      1.44513392      1.61309714
+H      3.46785756      1.85634713      0.27973391
+H      3.83648090     -1.74427542      0.28330598
+H      2.61989585     -1.57083508      1.60650070 
+
+14
+-1459.9984171531776 9.37896 10.24586 -10.0342 -7.7772 -11.239 0.6132 -0.4289 0.188 10.29458 0.44438 4.3544379144 12.752518037 0.154342821
+N      0.97594369      0.02842383     -0.03332188
+C      2.44032390     -0.01245855      0.00503225
+C      3.00887405      1.08797779      0.91954415
+O      4.26755362      0.57751967      1.42406022
+C      4.28265240     -0.79856817      1.33596518
+O      5.21082300     -1.45689069      1.73790504
+C      2.98719533     -1.26644145      0.68458120
+H      0.62414905     -0.75227065     -0.59334031
+H      0.66051263      0.87675993     -0.51240878
+H      2.91632934      0.08548837     -0.99150271
+H      2.32478496      1.26817110      1.76470302
+H      3.22081475      2.03421656      0.40499932
+H      3.17840027     -2.11945662      0.02348298
+H      2.29949300     -1.59093112      1.48375031 
+
+15
+-1473.5743278573036 10.250743 10.68089 -9.1298 -7.1524 -10.45 0.7616 -0.2785 0.453 9.98351 0.15032 5.142009385 9.3848598994 0.224587763
+N      0.99939361      0.05842680      0.50391299
+C      2.41829202      0.00331846      0.13132386
+C      2.74551906      1.17236268     -0.79280585
+O      4.13422663      1.17722845     -1.18566118
+N      4.63288222     -0.02961094     -1.70714222
+C      3.95930263     -1.10472036     -1.48498507
+C      2.71210324     -1.26817551     -0.66171208
+H      0.83073734      0.85341866      1.12656376
+H      0.74780097     -0.77767143      1.03830506
+H      3.11155514      0.05220219      0.99483513
+H      2.60014506      2.14561843     -0.30246625
+H      2.10477823      1.12218140     -1.69163564
+H      4.41801641     -1.99095833     -1.93381363
+H      1.85062844     -1.49277168     -1.31570896
+H      2.83786901     -2.13939884      0.00241008 
+
+13
+-1368.6977914130293 9.559647 10.20181 -8.8264 -6.8042 -9.689 0.8358 -0.0732 0.988 9.01234 -0.44818 5.3874644692 6.1357447764 0.181815418
+N      1.37031767      0.09631527      0.86309023
+C      2.24787952      0.00374215     -0.05441225
+N      2.84992851     -1.18242194     -0.47465907
+C      3.99223679     -0.90456387     -1.29921629
+C      5.05697179      0.04206195     -0.75178649
+C      3.88830604      0.57418330     -1.54222581
+O      2.76325487      1.05520606     -0.80959545
+H      1.07851116      1.07028523      0.98487349
+H      2.88115341     -1.92166445      0.22289443
+H      4.22097823     -1.61999227     -2.08939412
+H      5.07687288      0.22877447      0.32299613
+H      6.02552670      0.04552827     -1.25320271
+H      4.00077244      1.05682583     -2.51136210 
+
+13
+-1364.049812647417 9.74492 10.16812 -8.7282 -6.761 -9.602 0.8466 -0.0598 0.84 8.78458 -0.2437 4.846178789 5.9664170962 0.208888699
+N      1.16482858      0.06260459      0.60510177
+C      2.29784061     -0.09639362      0.01471265
+N      2.78343671     -1.32309002     -0.39083090
+C      4.11122389     -1.30372164     -0.98864155
+C      4.45781218      0.17523532     -1.00716229
+O      3.56216411      0.96465842     -1.80892538
+C      3.34900205      0.91171264     -0.37230627
+H      0.99889559      1.05942997      0.77962778
+H      2.15752288     -2.11889383     -0.45615117
+H      4.84757201     -1.85556204     -0.37751287
+H      4.11654645     -1.72638710     -2.00715564
+H      5.49835160      0.50580036     -0.97720160
+H      3.45513335      1.85482695      0.16809548 
+
+11
+-1252.8267231923721 9.973956 9.66677 -8.8707 -7.0099 -9.529 -0.8763 -2.6249 -1.535 9.45246 2.05257 3.0013415006 6.0401143746 0.297504604
+N      1.10677858     -0.12599570      0.29820026
+C      2.34378462     -0.03083671      0.00466673
+N      3.20071674     -1.11298637     -0.19736573
+C      4.46640156     -0.65163909     -0.50570210
+C      4.54842925      0.71385401     -0.52616635
+C      3.22749540      1.22989374     -0.20810349
+O      2.79296175      2.37292021     -0.10360514
+H      0.73234287      0.83286926      0.38566204
+H      2.91650179     -2.08497356     -0.14061509
+H      5.25941886     -1.37209370     -0.69727121
+H      5.43498858      1.30087790     -0.73994992 
+
+13
+-1388.3172895318594 9.944815 10.24875 -8.967 -7.0423 -10.029 -0.1142 -1.9456 -0.952 9.95241 1.37671 3.2119317216 5.0360881452 0.129811442
+N      1.09302461      0.06771747      0.42011261
+C      2.32418709      0.03235340      0.05399824
+N      3.15971859      1.11603810     -0.09081555
+C      4.41284222      0.82787356     -0.79173542
+C      4.55907394     -0.69826625     -0.66079318
+C      3.16404383     -1.18866951     -0.29872475
+O      2.75586258     -2.33344921     -0.28390844
+H      0.75114802     -0.90235438      0.47100214
+H      2.77136468      2.05449079     -0.06206403
+H      4.35945983      1.12405429     -1.85434111
+H      5.24847896      1.37291271     -0.32994805
+H      4.93418476     -1.19401106     -1.56445503
+H      5.23123088     -0.96953991      0.16839256 
+
+11
+-1238.471973167244 10.132221 9.64787 -8.9189 -7.0201 -9.202 -0.5757 -2.2329 -1.045 8.5764 1.69642 3.9164821666 6.4886461282 0.452793828
+N      0.93989309     -0.03742699     -0.13424390
+C      2.19977408     -0.10825178      0.01117737
+O      2.96463130      1.14942552      0.05147378
+C      4.29451316      1.10144103      0.21280868
+C      4.97313779     -0.06689752      0.33785802
+C      4.18765435     -1.26493577      0.28564874
+N      2.89199363     -1.29389186      0.13264422
+H      0.63068510      0.93841426     -0.20380267
+H      4.74758500      2.09505613      0.22933132
+H      6.05224364     -0.08243867      0.46780449
+H      4.68464885     -2.23805433      0.37750994 
+
+15
+-1516.7459486942048 10.390187 10.95818 -8.5088 -6.549 -9.637 0.7557 -0.2223 1.033 8.87301 -0.48178 5.3828397914 6.0920025156 0.207170418
+N      1.16792563      0.02232210      0.54681821
+C      2.32471903      0.02741919     -0.00500956
+N      3.02518457     -1.15436166     -0.18328849
+C      4.11642653     -1.30770479     -1.13785233
+C      4.94878085     -0.03194238     -1.12918478
+C      4.01606146      1.14555581     -1.34536256
+O      2.97247509      1.19821490     -0.34264454
+H      0.83221004      0.98428747      0.65621610
+H      2.42609230     -1.96052296     -0.02423504
+H      4.72233349     -2.17506465     -0.83722712
+H      3.74598346     -1.50065124     -2.16501686
+H      5.46814951      0.07557071     -0.16475393
+H      5.70418749     -0.06112061     -1.92791141
+H      4.53522930      2.10918576     -1.26177237
+H      3.54433126      1.09025235     -2.34358532 
+
+13
+-1379.0576408710908 10.368162 10.40801 -8.3616 -6.3824 -8.767 1.2933 -0.2799 0.675 8.21915 -0.23271 5.1187372128 5.1187372128 0.20959168
+N      0.93465842     -0.05797743      0.03763412
+C      2.21189797      0.01295684      0.01874986
+N      2.96584297     -1.11679640     -0.30931075
+C      4.32111950     -1.21057309      0.00007932
+C      5.04340615     -0.08754938      0.14876317
+C      4.31962423      1.19712376     -0.08922696
+O      2.92697059      1.12375549      0.36408675
+H      0.53681409      0.86150725      0.25375238
+H      2.40309740     -1.95733706     -0.39775785
+H      4.71836964     -2.21872132      0.11234722
+H      6.09144519     -0.10433415      0.43581586
+H      4.74735141      2.03810075      0.47013026
+H      4.30211245      1.46570474     -1.16217338 
+
+11
+-1264.7633609353873 10.164278 9.79575 -9.7897 -8.0126 -10.386 -0.7868 -2.5634 -1.601 9.73661 1.86611 3.8029357878 5.165938683 0.544560218
+N      1.05408966      0.01623742     -0.28423984
+C      2.30953813     -0.01119350     -0.01453040
+N      3.16926312     -1.09015002      0.22576943
+C      4.48118457     -0.65745910      0.48383831
+O      5.43673713     -1.37744880      0.72611864
+C      4.41823544      0.83398746      0.39215578
+C      3.15641792      1.19910401      0.10313043
+H      0.65175094     -0.93109850     -0.32064519
+H      2.90519157     -2.07044839      0.22070483
+H      5.29404451      1.45829098      0.54685986
+H      2.74316701      2.19474843     -0.03735185 
+
+13
+-1385.632877249791 10.336159 10.607 -7.4866 -5.5718 -7.783 0.9107 -0.0734 0.923 7.29584 -0.32114 4.539623404 6.0440323322 0.36699748
+N      0.91296459     -0.22871855      0.04860189
+C      2.31293125     -0.02939488      0.02773824
+C      3.12167257      1.09673417     -0.07392509
+O      2.60555500      2.37226216     -0.18037766
+C      4.48184091      0.68212944     -0.04627133
+C      4.47822062     -0.70247110      0.07299684
+N      3.17331504     -1.11639248      0.11642929
+H      0.47650352      0.26068189      0.83329894
+H      0.47325663      0.12251056     -0.80530370
+H      3.35082472      2.99167746     -0.25101148
+H      5.36438083      1.31389010     -0.10502846
+H      5.30070375     -1.40661322      0.12925976
+H      2.84020056     -2.07042555      0.19993276 
+
+13
+-1328.352098624323 9.748469 10.20097 -8.5681 -6.6055 -10.187 1.1541 -0.2536 0.74 9.51925 -0.14502 4.8232909734 8.3941125706 0.209610184
+N      1.19486410     -0.04377972      0.46282321
+C      2.35859537     -0.03432333     -0.07977716
+N      2.88592228     -1.19987547     -0.67287551
+O      4.34000675     -1.15341913     -0.60659838
+C      4.64235216      0.23154608     -0.59884122
+C      4.02623278      1.11145151     -1.63811551
+C      3.39503404      1.02078987     -0.24480063
+H      0.90964427      0.91020964      0.71002585
+H      2.60169995     -2.06997703     -0.21715558
+H      5.63379149      0.41650900     -0.18684868
+H      4.55494355      2.03715661     -1.86418437
+H      3.48976984      0.65178269     -2.46809213
+H      3.38108344      1.87927927      0.42455010 
+
+13
+-1335.489336703767 10.584568 10.39969 -8.8867 -6.9591 -9.467 0.3782 -1.3139 -0.235 8.85498 0.71345 4.6221236884 5.377458799 0.531215945
+N      0.89004764     -0.02252646     -0.08202148
+C      2.17902613      0.01514491     -0.02679397
+N      2.96978611      1.16493133     -0.24637650
+O      4.22715100      1.15500532      0.49471298
+C      5.02590041      0.09829704     -0.03973223
+C      4.29655044     -1.21067494      0.03404051
+C      2.95425751     -1.22759668      0.08861931
+H      0.48824575      0.92186495     -0.18247301
+H      2.51548922      2.02963162      0.05610417
+H      5.92806559      0.09276593      0.58965210
+H      5.32877051      0.32498629     -1.08297294
+H      4.87984637     -2.13417519      0.03980020
+H      2.37135332     -2.14456412      0.16911084 
+
+13
+-1359.4256855246374 9.502764 10.14011 -9.6834 -7.6612 -10.533 0.7914 -0.0847 0.959 9.8178 -0.40574 5.187078296 6.970802885 0.217251692
+N      1.22058045      0.16542853      0.27051192
+C      2.35958193     -0.04585160     -0.24525133
+O      2.57968468     -1.17448264     -1.00747351
+C      3.98972090     -1.31532068     -1.26573602
+C      4.58674386      0.02988046     -0.90216127
+C      3.97039860      1.23104796     -1.50773224
+N      3.54417055      0.77052199     -0.14615847
+H      1.24624302      1.05711207      0.77645966
+H      4.39618790     -2.11386492     -0.62446692
+H      4.11850144     -1.59681770     -2.32090619
+H      5.59803133      0.06472346     -0.49372140
+H      4.50833806      2.17958543     -1.49878617
+H      3.25948728      1.09106765     -2.32602807 
+
+12
+-1308.4273224561184 9.700268 9.95773 -7.5637 -5.5493 -7.896 0.8222 -0.2123 0.443 7.48265 0.1142 4.1561471046 6.5335166616 0.356659153
+N      0.96567257     -0.14858655      0.22805479
+C      2.33996230      0.02573009      0.07060628
+C      3.13987804      1.13472590     -0.05570784
+O      2.64101337      2.41310998     -0.21349686
+C      4.49832679      0.67747528     -0.05939273
+C      4.43524530     -0.68238249      0.05828208
+O      3.12743651     -1.09943280      0.14775154
+H      0.50854974      0.75754776      0.32737147
+H      0.53335482     -0.65661726     -0.54737561
+H      3.30845235      3.04507611      0.10266766
+H      5.39982580      1.27609322     -0.15573898
+H      5.18167242     -1.46714924      0.07752821 
+
+18
+-1745.8920972281694 11.347325 12.75322 -9.4014 -7.0873 -10.706 0.9058 -0.0529 2.976 10.06406 -2.68765 8.6592938274 11.0904733084 0.153184784
+N      1.91771437     -0.29925287      1.31075493
+C      2.19763510      0.23077845     -0.03170907
+C      3.23765247      1.32551631      0.03795753
+C      3.34727216      2.34940484     -1.06518104
+C      2.81736960      2.75630265      0.29791834
+C      3.64919396      3.64854449      1.18416295
+O      3.50543069      5.04201071      0.87298341
+H      1.24801888     -1.06944090      1.25282356
+H      1.47708601      0.42629524      1.88259313
+H      1.30607430      0.62508848     -0.56434117
+H      2.58733028     -0.60037587     -0.64316637
+H      4.17733996      1.01640161      0.50465313
+H      2.63795843      2.29125038     -1.89243904
+H      4.34900423      2.68022361     -1.34773349
+H      1.73972831      2.94094693      0.34888405
+H      4.71127257      3.33792982      1.12639006
+H      3.33627916      3.55566330      2.23548460
+H      3.67137951      5.13695283     -0.08240553 
+
+18
+-1749.3665449854982 11.235108 12.52469 -9.274 -6.9695 -10.658 0.8938 -0.071 2.8 10.0508 -2.5512 8.629487593 13.4343542468 0.096186292
+N      2.13187148     -0.42671550     -1.41130932
+C      2.38793925      0.01950184     -0.03129274
+C      3.14591073      1.33602286     -0.01337041
+C      2.46166637      2.64379785     -0.50137835
+C      3.19046151      3.40960413      0.63654096
+C      3.38086775      2.04735583      1.34879435
+O      4.54452974      1.78261766      2.11727417
+H      1.56511096     -1.27782223     -1.40231660
+H      3.01662888     -0.68224826     -1.85897461
+H      2.94136558     -0.71470133      0.59041832
+H      1.40909070      0.17285413      0.45471332
+H      4.12122870      1.21963563     -0.52359688
+H      1.37436871      2.60185915     -0.34083021
+H      2.65013116      2.96126883     -1.53358005
+H      4.15968604      3.80435390      0.29100069
+H      2.65580717      4.20449137      1.17374710
+H      2.53576521      1.84560099      2.02753775
+H      5.31549005      2.00682315      1.56547250 
+
+14
+-1498.4817585076532 10.798784 11.39805 -8.4945 -6.4461 -8.165 1.0522 -0.1961 0.595 7.71522 -0.03296 4.5030847298 6.885252545 0.461415741
+N      2.46689266     -0.52551672     -1.39673590
+C      2.38677492      0.03737071     -0.03202589
+C      2.79730632      1.46821806     -0.00199181
+C      2.12619089      2.65113360      0.14957350
+C      3.10328617      3.69730918      0.07887974
+C      4.30645478      3.08228936     -0.11488808
+O      4.14561589      1.72060573     -0.16390202
+H      2.24305571     -1.52346346     -1.36035474
+H      3.43455357     -0.46489129     -1.72506765
+H      2.99118867     -0.51544187      0.71615239
+H      1.33924671     -0.01233423      0.30000641
+H      1.05484253      2.75993855      0.28807093
+H      2.93423719      4.76655761      0.16054520
+H      5.32340400      3.44046477     -0.23022206 
+
+10
+-1233.4165557615802 10.140288 10.20673 -9.3321 -7.3902 -8.844 0.0602 -1.631 -0.722 8.38878 1.19469 4.1172898922 6.6649046258 0.454373816
+N      0.96099851     -0.12245684     -0.00665505
+C      2.12925260     -0.05021035     -0.00246918
+C      3.53400489      0.07390222      0.00243259
+C      4.36061590      1.17430510      0.00289377
+C      5.69322864      0.67196770      0.00905243
+C      5.58960536     -0.69349366      0.01189592
+O      4.28381704     -1.08543585      0.00796324
+H      4.03725182      2.20979175     -0.00075668
+H      6.61291279      1.24777735      0.01111696
+H      6.31687246     -1.49786743      0.01651600 
+
+18
+-1759.996726245579 11.072336 12.2682 -9.1781 -6.9527 -10.651 0.9651 -0.0067 3.07 10.03864 -2.77441 8.709520556 11.7790667552 0.099388055
+N      1.97948057     -0.29400183     -1.35922500
+C      2.41955007      0.13176387     -0.02041967
+C      3.15107886      1.46926224     -0.11115091
+C      2.29285322      2.66462520     -0.53537854
+C      3.00675275      3.83245228      0.15505817
+C      3.44296205      3.19456788      1.47540056
+O      3.67868507      1.79883031      1.19529004
+H      1.39294446     -1.12705802     -1.28020852
+H      2.79215147     -0.57605868     -1.91453933
+H      3.08087906     -0.58834384      0.49894293
+H      1.52767527      0.26776443      0.61226934
+H      4.00646765      1.35820368     -0.81213733
+H      1.26961449      2.54485606     -0.14294295
+H      2.22518094      2.76624586     -1.62523512
+H      3.88534986      4.14665214     -0.42961418
+H      2.36446332      4.71148294      0.30295975
+H      4.36921117      3.62803545      1.88443151
+H      2.65122971      3.28201003      2.24282926 
+
+14
+-1493.6057406684015 9.78411 10.8667 -10.4351 -8.3183 -11.753 0.8656 -0.3575 1.351 11.33325 -0.94327 5.3829017844 12.0060479254 0.151722166
+N      1.25091548     -0.46218883      0.85589811
+C      2.30072747     -0.21835585      0.40888687
+C      3.63490139      0.09146538     -0.14734552
+C      4.31001272      1.27517793      0.61558592
+C      5.50704553      0.60586495      1.33051334
+C      5.16972359     -0.88392385      1.24882944
+O      4.50983879     -1.03408191     -0.02366115
+H      3.51375694      0.29074958     -1.22271102
+H      3.60741339      1.72906151      1.32538875
+H      4.62981510      2.05251824     -0.08880149
+H      6.44137974      0.80841247      0.78928144
+H      5.62480525      0.95493174      2.36473811
+H      6.04228603     -1.54866854      1.23636022
+H      4.49240859     -1.19237281      2.06684697 
+
+12
+-1355.1720734680264 10.181547 10.79113 -9.12 -7.0266 -9.364 0.3526 -1.3947 -0.24 8.94153 0.70404 4.9973053244 11.1989362612 0.235611081
+N      0.96287478      0.08137665      0.05492225
+C      2.13008567      0.03959098      0.01272955
+C      3.55095687     -0.03657252     -0.03391167
+C      4.32074683     -1.14223720     -0.04596293
+C      5.76422223     -0.70925225     -0.01489244
+C      5.63571383      0.80566384     -0.28275793
+O      4.23239503      1.15977460     -0.04298711
+H      3.95515784     -2.16374260     -0.01546634
+H      6.21729273     -0.92935117      0.96757862
+H      6.38115775     -1.20781545     -0.77641894
+H      5.85551962      1.05369949     -1.33285071
+H      6.24359681      1.43539563      0.37728765 
+
+12
+-1352.3231090523595 9.580716 10.34443 -9.1335 -6.968 -9.458 1.1295 -0.4444 0.832 9.03517 -0.92983 5.3997886776 5.9489846646 0.203232732
+N      0.96667361     -0.01177263      0.06973076
+C      2.13149261      0.00957251      0.02454736
+C      3.60137679     -0.00641850     -0.00064001
+C      4.17125179     -1.27395323     -0.70504220
+C      4.66666529     -0.68675560     -2.00567577
+C      4.59115779      0.64559647     -1.93787360
+O      4.07528880      1.15076564     -0.75929267
+H      3.96435794      0.11135394      1.03036760
+H      3.39521852     -2.04081555     -0.83442793
+H      4.98695924     -1.72000596     -0.11332949
+H      5.05751512     -1.26097437     -2.83993819
+H      4.88383249      1.40886728     -2.65529584 
+
+16
+-1622.0448669051486 11.026266 11.96556 -8.2021 -6.0731 -8.697 0.9828 -0.051 1.367 8.19978 -0.75339 5.760885504 11.4409197374 0.301834107
+N      2.34015556     -0.33651066      1.49366513
+C      2.55033948     -0.00076664      0.07181432
+C      3.12711185      1.36978859     -0.06950190
+C      4.29113329      1.79498854     -0.58357639
+C      4.39546213      3.29184155     -0.40798851
+C      2.96220861      3.64011760      0.05070933
+O      2.32150056      2.38027497      0.42590990
+H      1.84423680     -1.22836128      1.55810756
+H      1.72249005      0.36585199      1.90945437
+H      1.62446160     -0.04502900     -0.53910144
+H      3.26435900     -0.71758351     -0.35898753
+H      5.07161550      1.15266503     -0.98141441
+H      5.15187110      3.55414872      0.35277365
+H      4.66412072      3.82844900     -1.33054673
+H      2.36807427      4.07551939     -0.76910216
+H      2.91713949      4.30606571      0.92184480 
+
+16
+-1621.1068623867525 10.760184 11.52937 -8.2385 -6.0794 -8.922 0.9113 -0.0739 1.292 8.51593 -0.74049 5.8848219096 5.8848219096 0.23686617
+N      2.94710432     -0.98615827     -0.56084292
+C      2.43838121      0.21988862      0.10619839
+C      3.48122501      1.33903522      0.02679175
+C      3.71689300      1.86463237     -1.40937148
+C      3.01158958      3.20026506     -1.36778212
+C      2.65731092      3.45729424     -0.10253898
+O      2.97416837      2.47758710      0.80976162
+H      2.19494072     -1.66742253     -0.67545078
+H      3.65517003     -1.43816658      0.02374011
+H      2.16058051      0.08165658      1.16829984
+H      1.53486149      0.55753259     -0.42676373
+H      4.41342023      1.01761968      0.51806915
+H      3.30395738      1.15585006     -2.14363469
+H      4.78937744      1.97738054     -1.64167494
+H      2.85123076      3.85973525     -2.21608009
+H      2.16376903      4.32771008      0.32678887 
+
+13
+-1356.909857430414 9.929604 10.48656 -9.3718 -7.2663 -9.236 1.0297 -0.5743 -0.101 8.60245 0.66557 4.7629965816 6.8908691108 0.382738582
+N      1.86152248     -0.34980184     -1.14752995
+C      2.75018981     -0.04351069     -0.02188384
+C      2.99399007      1.43097272      0.06187341
+C      2.33104972      2.52188843     -0.43145605
+C      3.10034731      3.61969451      0.03948623
+N      4.14311880      3.24613247      0.75625223
+O      4.08049544      1.83194652      0.76810074
+H      1.56882538     -1.32685326     -1.09778698
+H      2.36652996     -0.23885684     -2.03030124
+H      3.73288508     -0.55377404     -0.03914864
+H      2.24944918     -0.36844382      0.90577301
+H      1.42742448      2.52187440     -1.02923560
+H      2.93501228      4.68382143     -0.11667333 
+
+9
+-1086.3894028158982 9.276758 9.35937 -10.4543 -8.4645 -9.999 -0.6197 -2.4029 -1.414 9.41667 1.70569 4.5291093912 6.738701093 0.375339135
+N      0.94971878     -0.12255389     -0.00668358
+C      2.11609193     -0.04506826     -0.00261784
+C      3.52463789      0.07939788      0.00220831
+C      4.34905949      1.17582695      0.00270625
+C      5.64710091      0.60638869      0.00872788
+N      5.61890792     -0.71445950      0.01163772
+O      4.26783173     -1.06678023      0.00752093
+H      4.06006405      2.22009039     -0.00070978
+H      6.61076730      1.10986799      0.01110011 
+
+11
+-1205.9088159293553 9.012455 9.55625 -10.079 -7.9998 -10.882 0.8569 -1.0302 0.002 10.45335 0.59333 5.3929694476 6.3273527408 0.194646514
+N      0.96116550     -0.04284188      0.19193150
+C      2.12266099     -0.00592752      0.09502106
+C      3.58564582      0.00733656     -0.01196666
+C      4.14968502     -1.23057851     -0.74057841
+C      4.58166870     -0.59176645     -2.03336804
+N      4.50836950      0.68784363     -2.05735042
+O      4.00494622      1.16076240     -0.83330154
+H      4.01486421      0.15624650      0.98865933
+H      3.39793146     -2.01733712     -0.88365365
+H      5.00739494     -1.67007274     -0.20954602
+H      4.96735763     -1.11620489     -2.90644715 
+
+15
+-1476.2164574255612 10.09838 10.70465 -9.0852 -7.0087 -10.309 0.8682 -0.1983 0.45 9.90936 0.13498 5.459537531 6.2011225942 0.17382424
+N      2.95949332     -1.00748602     -0.54517719
+C      2.44787664      0.16837059      0.17232429
+C      3.44809087      1.32513608      0.06795610
+C      3.63239166      1.85331644     -1.35962637
+C      2.83439936      3.12310796     -1.27049731
+N      2.46128786      3.44590371     -0.08359947
+O      2.90754763      2.46689706      0.82580107
+H      2.22530291     -1.71309368     -0.62648416
+H      3.71600534     -1.44405957     -0.01143376
+H      2.22688964      0.00258824      1.24323961
+H      1.50766458      0.48539276     -0.30683713
+H      4.40045886      1.05626036      0.55103575
+H      3.25211192      1.13824078     -2.10395768
+H      4.68204053      2.06945087     -1.61724071
+H      2.57959888      3.78735445     -2.09580304 
+
+14
+-1495.7770144245944 10.643599 11.24525 -8.5571 -6.5014 -8.301 1.0495 -0.1718 0.531 7.7953 0.00519999999997 4.5724548968 6.7010589434 0.443445989
+N      2.09244335     -0.47272144     -1.35716280
+C      2.46502474     -0.06048915      0.01297391
+C      2.98150693      1.35060482      0.02863337
+C      2.24979110      2.50385438     -0.07137271
+O      3.06575441      3.60493499     -0.06168011
+C      4.35080474      3.13744130      0.04533931
+C      4.35477997      1.77324293      0.10324247
+H      1.85113039     -1.46766052     -1.36082715
+H      2.90373870     -0.36961778     -1.97321099
+H      3.22576682     -0.71059139      0.48851948
+H      1.55891810     -0.13092504      0.63573728
+H      1.18777391      2.70274032     -0.16439712
+H      5.12659443      3.89440557      0.07232377
+H      5.22958242      1.13567101      0.19858129 
+
+10
+-1234.8166696791259 9.72096 10.10602 -9.5157 -7.5222 -9.007 0.434 -1.2539 -0.468 8.55469 1.07658 4.457110721 6.7010589434 0.46910955
+N      0.89462981      0.07595751     -0.00689964
+C      2.06372677      0.04678604     -0.00445486
+C      3.48003956     -0.00031438      0.00030309
+C      4.33233959      1.08019509      0.00283509
+O      5.62253817      0.65804213      0.00748988
+C      5.59910370     -0.71776329      0.00750492
+C      4.31724220     -1.17465743      0.00337410
+H      4.16589640      2.15094986      0.00204517
+H      6.56807097     -1.20299824      0.01089129
+H      3.98580282     -2.20708730      0.00254097 
+
+18
+-1757.593632424639 11.044589 12.20453 -9.3176 -7.0693 -10.74 0.8539 -0.1178 2.922 10.09739 -2.62558 8.6655303232 11.0024928428 0.142007229
+N      2.10854477     -0.30711010     -1.51004743
+C      2.38356097      0.06449793     -0.11323542
+C      3.10801369      1.40641464     -0.03510347
+C      2.31496653      2.61551780     -0.55871149
+C      3.00272568      3.76885045      0.16167676
+O      3.32837529      3.27063629      1.47304773
+C      3.43910552      1.83482063      1.40828312
+H      1.57227862     -1.17719463     -1.53873082
+H      2.98987077     -0.50307336     -1.99358463
+H      2.97165426     -0.69343268      0.44552622
+H      1.41490090      0.15973178      0.40692330
+H      4.05081123      1.33135842     -0.60820654
+H      1.26115927      2.53756917     -0.24490287
+H      2.33994435      2.70335490     -1.65209542
+H      3.92618493      4.07457245     -0.36934016
+H      2.36804552      4.65750611      0.29194082
+H      4.45589630      1.53080143      1.71078934
+H      2.72193140      1.40035876      2.12942094 
+
+14
+-1495.0784581353757 9.873779 10.97155 -10.288 -8.1402 -11.763 0.8025 -0.3062 1.335 11.31036 -0.93277 5.3574598572 10.8097070114 0.242016303
+N      0.96977573     -0.09690995      0.57917013
+C      2.10257547     -0.04993712      0.30136229
+C      3.52044339     -0.00966671     -0.02882905
+C      4.28613488      1.20588386      0.58804738
+C      5.47303114      0.54020421      1.31519668
+O      5.63431979     -0.74688148      0.70317931
+C      4.31171845     -1.23305112      0.52383249
+H      3.61158714      0.01149906     -1.12491565
+H      3.65196140      1.77964103      1.27492324
+H      4.62349486      1.87793168     -0.21047252
+H      6.42105799      1.08145659      1.20616823
+H      5.24980866      0.41869336      2.39190645
+H      4.34253858     -2.07970929     -0.17253957
+H      3.87063252     -1.56172413      1.48422058 
+
+12
+-1354.3933210813893 10.210494 10.71324 -9.7963 -7.558 -9.472 0.0303 -1.6979 -0.272 9.03524 0.77295 4.981447515 5.071771316 0.282168435
+N      0.96217905      0.06243955      0.01689788
+C      2.13059974     -0.00258944      0.00504645
+C      3.54753963     -0.02271817     -0.00591168
+C      4.34619524     -1.10280416     -0.07129299
+C      5.77530460     -0.67020111     -0.04003739
+O      5.74522766      0.76665362     -0.02251451
+C      4.39201503      1.23123377      0.07658931
+H      4.02026059     -2.13978126     -0.12685778
+H      6.29858890     -1.05454083      0.85816327
+H      6.34076345     -1.01534740     -0.92547804
+H      4.17807789      1.93328291     -0.74783129
+H      4.23265823      1.76269249      1.03327677 
+
+16
+-1615.8087321902794 11.055455 11.84772 -8.9538 -6.6708 -8.819 0.8552 -0.2595 1.352 8.31674 -0.69205 5.9296428486 5.9296428486 0.315886967
+N      2.36586147     -0.49790898      1.48814728
+C      2.51045256     -0.01077451      0.09998678
+C      3.06682206      1.38139926      0.05595204
+C      4.18436420      1.81276294     -0.54118358
+C      4.33161214      3.29319967     -0.37261480
+O      3.18218344      3.70576987      0.39256226
+C      2.36675157      2.55908342      0.68356482
+H      2.03203091     -1.46452209      1.47096378
+H      1.64093843      0.03753434      1.97282923
+H      1.55773131     -0.02142268     -0.47296787
+H      3.20230045     -0.68747276     -0.42325555
+H      4.90259233      1.19467997     -1.08024958
+H      5.25493818      3.56888912      0.17343084
+H      4.34467847      3.83405035     -1.33918873
+H      1.34987407      2.70795150      0.26611370
+H      2.26607842      2.45251058      1.78166937 
+
+18
+-1748.462022027443 11.20183 12.38385 -9.3521 -7.0637 -10.72 0.8659 -0.0983 2.856 10.07659 -2.62804 8.675114441 9.629000732 0.087857157
+N      1.78694008     -0.35666662     -1.23371805
+C      2.23524115      0.16496693      0.06541794
+C      3.41056983      1.12394363     -0.11333165
+C      3.03968737      2.47077164     -0.79835396
+C      2.96563635      3.12004677      0.60931167
+O      3.43300497      4.44526045      0.80827407
+C      3.77337236      1.91910832      1.17517939
+H      0.96357596     -0.94943789     -1.10999955
+H      2.51357076     -0.95633405     -1.63457733
+H      2.53355945     -0.61927449      0.79257466
+H      1.38477553      0.70288171      0.51797294
+H      4.24971194      0.57965263     -0.57577401
+H      2.14314867      2.48056709     -1.43257671
+H      3.88656614      2.88109431     -1.37090523
+H      1.93610796      3.12470661      0.99602083
+H      4.33247654      4.49672544      0.43684010
+H      4.84785824      2.15594967      1.21655260
+H      3.46744671      1.50166784      2.14629230 
+
+13
+-1354.4710321999278 9.85495 10.46624 -9.6346 -7.3835 -9.609 1.1267 -0.5603 -0.125 8.9904 0.6556 5.046540165 6.8219080976 0.29045587
+N      2.78305510     -0.69165571     -1.28775926
+C      2.33927627      0.02617748     -0.08260476
+C      2.94055052      1.40364294     -0.00486443
+N      2.20401185      2.41072979      0.43076266
+O      3.05861230      3.53509223      0.43130582
+C      4.27292195      3.14750861     -0.01624599
+C      4.27290745      1.81642655     -0.30922379
+H      2.19715068     -1.51795192     -1.42134911
+H      3.73563123     -1.04227115     -1.16021251
+H      2.56566209     -0.49994316      0.86668727
+H      1.24776644      0.14475359     -0.12412014
+H      5.02686190      3.92711168     -0.07553366
+H      5.09281221      1.22561907     -0.70203211 
+
+9
+-1086.5892943987842 8.999863 9.32231 -10.6817 -8.6819 -10.264 -0.3119 -2.1041 -1.263 9.55534 1.77775 4.7793627336 6.6947852518 0.378837109
+N      0.93444229      0.08650993      0.00028439
+C      2.10181722      0.07629960      0.00049396
+C      3.52452196      0.00255660      0.00075276
+N      4.25627622      1.11622836      0.00072006
+O      5.57550977      0.67079203      0.00106513
+C      5.59640312     -0.68386608      0.00118602
+C      4.32736501     -1.17740990      0.00103391
+H      6.58029208     -1.14216919      0.00141395
+H      3.99757234     -2.20908136      0.00109983 
+
+15
+-1513.4329902976779 10.328061 11.23305 -9.3902 -7.3058 -10.583 0.6831 -0.3143 0.641 9.7174 0.04138 4.4278252278 11.984858718 0.169031074
+N      2.11407164     -0.42030674     -1.37615545
+C      2.15104175      0.16657180     -0.03136390
+C      3.23997757      1.23167486      0.04147145
+C      2.96840042      2.57375648     -0.69395685
+C      3.06535628      3.23723478      0.70077385
+O      3.02274279      4.36718609      1.14397501
+N      3.25675838      2.00309547      1.30024720
+H      1.29097758     -1.01663070     -1.47710974
+H      2.92575774     -1.02602048     -1.52166894
+H      2.31387478     -0.56598638      0.78665646
+H      1.18147754      0.65200839      0.16421037
+H      4.22510988      0.79728055     -0.20521980
+H      1.98649301      2.64360543     -1.17795756
+H      3.74932157      2.90336297     -1.38947586
+H      3.53874906      1.75677749      2.24830377 
+
+14
+-1446.5694262983131 9.475568 10.5547 -9.9908 -7.6755 -11.214 0.6728 -0.3764 0.144 10.43949 0.49105 4.3826447294 7.553103134 0.12056622
+N      1.99924799     -0.42197919     -1.30951098
+C      2.44803900      0.10147653     -0.01285143
+C      3.25108552      1.36966420     -0.24084804
+C      2.48592268      2.63770768     -0.63931517
+C      2.94578271      3.16193974      0.71783921
+O      2.84323226      4.16073019      1.37495135
+O      3.63845972      2.00139227      1.05058753
+H      1.28455225     -1.13777896     -1.17032998
+H      2.77330268     -0.88117352     -1.79556477
+H      3.05684212     -0.59846191      0.59163020
+H      1.56053423      0.35629321      0.58773551
+H      4.16151989      1.17803680     -0.82935859
+H      1.40038164      2.51960797     -0.74458574
+H      2.87903731      3.20697500     -1.48983909 
+
+15
+-1491.9727322757237 10.50879 11.42198 -9.6148 -7.3909 -10.699 1.2536 -0.4989 0.245 9.97439 0.36604 4.1199059968 12.3506422152 0.175813143
+N      1.24647830      1.06285770     -1.80969653
+C      2.22044335      0.55439765     -0.83609474
+C      2.43035334      1.57346417      0.25735242
+C      3.74159953      1.70306951      0.98633616
+N      3.36119441      2.67370139     -0.02684606
+C      3.09788192      4.00819384      0.27392699
+O      3.75065193      4.69703138      1.03996781
+H      1.00901554      0.33269579     -2.48403766
+H      1.67158700      1.82361186     -2.34672227
+H      3.20876585      0.29247896     -1.26332209
+H      1.80678380     -0.36010233     -0.38109904
+H      1.52866945      1.84690150      0.81646846
+H      4.56560770      1.03807556      0.71642390
+H      3.73009425      2.04744627      2.02307065
+H      2.24936364      4.40336676     -0.32991801 
+
+17
+-1617.6838644718707 10.786909 11.85197 -8.7342 -6.583 -10.111 0.8706 -0.1229 3.111 9.60792 -2.80329 8.0998937926 11.6875154928 0.092831738
+N      2.71123421     -0.88987596     -0.91801751
+C      2.32544423      0.09855663      0.11231661
+C      3.34243783      1.21469715      0.17824184
+C      3.50943286      2.17202758     -1.00917909
+N      2.72158038      2.04310535     -2.21383542
+C      2.91101682      2.64799255      0.29377123
+O      3.65502716      3.46676955      1.16898329
+H      2.06322697     -1.68139546     -0.89921032
+H      3.63352231     -1.27415942     -0.69473057
+H      2.19964085     -0.33333160      1.12496371
+H      1.34427388      0.50589269     -0.17913065
+H      4.27102410      0.98189985      0.70756071
+H      4.54310133      2.50126075     -1.16574375
+H      1.81149140      2.49543682     -2.11879523
+H      2.56394615      1.05039170     -2.41379166
+H      1.82734157      2.83376443      0.29509785
+H      3.71769792      4.35035739      0.76381896 
+
+15
+-1512.351591672358 10.278164 11.1192 -9.3876 -7.2135 -10.618 0.8164 -0.1868 0.657 9.67029 0.04398 4.4262506056 11.6320813522 0.153170983
+N      1.87711724     -0.42459024     -1.22347257
+C      2.19543584      0.12415327      0.10489771
+C      3.22055293      1.24300728     -0.01558196
+C      2.74877824      2.57419077     -0.66722970
+N      3.02942643      3.22848656      0.62366254
+C      3.45320621      2.08713204      1.27113846
+O      3.83501862      1.86766841      2.40477579
+H      1.11634643     -1.10320659     -1.14412142
+H      2.68212388     -0.94385572     -1.58504470
+H      2.57708398     -0.61771476      0.83239541
+H      1.26526711      0.53576230      0.53065456
+H      4.16842413      0.86839193     -0.43307417
+H      1.68820809      2.57873292     -0.95711569
+H      3.36920509      2.93994733     -1.49797203
+H      2.93267580      4.19044452      0.94547777 
+
+13
+-1378.928548662609 9.939874 10.54217 -9.1647 -7.0566 -8.62 1.0332 -0.4513 0.215 8.21828 0.4077 4.4113970828 9.4957901736 0.333479865
+N      2.46341874     -0.51168611     -1.41221042
+C      2.37255246      0.04076198     -0.04648715
+C      2.81411020      1.46028634      0.00130258
+C      2.20634108      2.66314062      0.20773405
+N      3.14683981      3.68887685      0.14747804
+C      4.26669686      3.07599595     -0.09369373
+O      4.16336792      1.71471343     -0.19527272
+H      2.16738868     -1.49075370     -1.39777398
+H      3.44235454     -0.51560260     -1.71068131
+H      2.94647255     -0.53020838      0.71200063
+H      1.31801931      0.01768872      0.26604445
+H      1.15509976      2.86126093      0.39342492
+H      5.25840809      3.49859598     -0.22280537 
+
+9
+-1111.6501160758244 9.254003 9.35905 -10.0459 -8.0218 -9.294 -0.2335 -2.0069 -0.921 8.88191 1.37972 4.255261513 9.448663095 0.33613706
+N      0.95153716     -0.09876753     -0.00417768
+C      2.12067080     -0.05103897     -0.00122228
+C      3.52492074      0.05749896      0.00216361
+C      4.38839006      1.12425754      0.00074040
+N      5.68824116      0.65674934      0.00586032
+C      5.56712564     -0.64121555      0.01009538
+O      4.28495745     -1.10044379      0.00825559
+H      4.14654813      2.18206174     -0.00360463
+H      6.34958885     -1.39374175      0.01484928 
+
+17
+-1615.9051068921456 10.628841 11.7349 -9.2655 -6.9864 -10.743 0.9039 -0.0909 2.669 10.14861 -2.34648 8.506493481 10.6307952134 0.16348355
+N      2.61076109     -1.52191030     -0.38568108
+C      1.98043499     -0.19282297     -0.44236376
+C      2.93499711      0.88020432      0.06442579
+C      3.64507347      0.59922339      1.37449955
+N      2.69051519      0.15426161      2.40356838
+C      3.54111409      1.84191988     -0.87011995
+O      2.40231290      2.22850383     -0.07090089
+H      2.05626392     -2.18278231     -0.93295368
+H      2.56958396     -1.84969456      0.58439533
+H      1.04930719     -0.11554246      0.15046379
+H      1.72273176      0.03821108     -1.48626182
+H      4.22531132      1.50182992      1.64583635
+H      4.36251013     -0.21856299      1.19883612
+H      2.06576449      0.92886458      2.64445179
+H      3.19352373     -0.08227335      3.26109389
+H      3.34508839      1.73638878     -1.94270777
+H      4.48211630      2.33983157     -0.60847205 
+
+13
+-1354.1058023743517 9.7912 10.37414 -9.4134 -7.2625 -9.299 1.1091 -0.6014 -0.212 8.73632 0.75516 4.7496432894 6.7001662442 0.314363395
+N      1.72214359     -0.35191086     -1.12892194
+C      2.73681550     -0.11813094     -0.09100503
+C      3.09940906      1.33685966     -0.02242317
+C      2.37657766      2.41446222     -0.45624099
+O      3.03999720      3.56833139     -0.21086701
+N      4.26286627      3.26107723      0.41793001
+C      4.27297645      1.94502455      0.51344185
+H      1.40485605     -1.32244042     -1.09222290
+H      2.13930227     -0.21534599     -2.05378785
+H      3.66667570     -0.70973865     -0.21402526
+H      2.30153513     -0.43037912      0.87352569
+H      1.41105731      2.50379111     -0.94306383
+H      5.13728780      1.46640981      0.97067042 
+
+9
+-1089.319437946073 8.983943 9.27308 -10.4291 -8.4316 -10.027 -0.1223 -1.8751 -1.062 9.49548 1.61628 4.783565859 10.8394512528 0.381569089
+N      0.89462084      0.01935300     -0.00449445
+C      2.06367829      0.02964196     -0.00238136
+C      3.47859447      0.02415022      0.00016640
+C      4.33456286      1.09991033      0.00194745
+O      5.60657356      0.67908030      0.00405912
+N      5.62706786     -0.73840722      0.00395241
+C      4.36545869     -1.10078914      0.00150572
+H      4.17108860      2.17305008      0.00188163
+H      4.10990483     -2.15728953      0.00082307 
+
+16
+-1548.3544760532757 10.203217 11.48347 -9.206 -6.9122 -10.599 0.8588 -0.1196 3.003 9.99907 -2.70962 8.5595470904 10.7388862082 0.177057066
+N      3.01347063     -1.14177469     -0.46485390
+C      2.43950890      0.06503314      0.15318016
+C      3.37530157      1.24501914     -0.01170638
+C      3.23732551      2.22262875     -1.15820933
+O      2.20726493      1.98446280     -2.09015646
+C      2.88855130      2.66053421      0.23788953
+O      3.72750613      3.62233201      0.84140917
+H      2.31607000     -1.88896652     -0.47600660
+H      3.79269297     -1.48684424      0.10207598
+H      2.20038944     -0.05141356      1.23124154
+H      1.49631378      0.28764135     -0.36673446
+H      4.41314342      1.06289902      0.28509399
+H      4.17190013      2.61951233     -1.57042542
+H      1.89257292      2.85052895     -2.40357027
+H      1.81559158      2.77376087      0.44121374
+H      3.81784680      3.39059643      1.78319869 
+
+14
+-1444.0584416772115 9.420804 10.43906 -9.8793 -7.5875 -11.101 0.7826 -0.3837 0.144 10.38658 0.50941 4.3634516966 7.6023007788 0.107123573
+N      2.15504822     -0.44162328     -1.37671484
+C      2.39180808      0.01655312     -0.00111552
+C      3.14557119      1.34355021     -0.02386100
+C      2.38865269      2.59010391     -0.50023568
+O      2.54901653      3.21357960      0.83897787
+C      3.22889308      2.09981805      1.30657918
+O      3.66754176      1.91721131      2.40973826
+H      1.52723486     -1.24794432     -1.37344515
+H      3.03199414     -0.76302410     -1.79561555
+H      2.95172402     -0.69213530      0.63825317
+H      1.41127298      0.17071467      0.47761549
+H      4.13883385      1.22205360     -0.48339716
+H      1.32671247      2.43785085     -0.72887082
+H      2.87550615      3.20764169     -1.26410825 
+
+12
+-1361.0112418236447 10.177854 10.6742 -8.9814 -6.9477 -9.259 0.6142 -1.0902 -0.257 8.8363 0.74622 4.8651610456 11.6309902754 0.296923702
+N      0.96299261      0.01294780      0.13348098
+C      2.13255549     -0.02414400      0.05711685
+C      3.53804583     -0.01605094     -0.03227010
+C      4.34260453     -1.09977667     -0.12912039
+O      5.66603235     -0.83566105     -0.18391687
+C      5.80896513      0.63110450     -0.24201001
+C      4.41333813      1.22794292      0.03418979
+H      4.07370640     -2.15376813     -0.15629227
+H      6.17843983      0.86887163     -1.24945366
+H      6.56786251      0.90653849      0.49974880
+H      4.13011629      1.97703980     -0.71769781
+H      4.34522088      1.70320563      1.02482470 
+
+12
+-1354.1983775394733 9.614011 10.37215 -9.1756 -7.0712 -9.467 0.9961 -0.3429 0.564 9.03356 -0.08071 5.3408457332 11.678179347 0.369940407
+N      0.95391170      0.00736089     -0.06917490
+C      2.12014704      0.00512448     -0.03257155
+C      3.58840374     -0.00252016      0.00558631
+C      4.18543760     -1.26814266      0.69477951
+O      4.69932545     -0.83925169      1.98882064
+C      4.71390299      0.52878755      1.96341178
+C      4.15129118      1.10072448      0.89095618
+H      3.94002231      0.06864940     -1.03655867
+H      5.03298587     -1.65847326      0.11293232
+H      3.45012724     -2.06218031      0.86636932
+H      5.17585473      0.99142762      2.83342686
+H      4.03269016      2.16256364      0.70437222 
+
+16
+-1618.9662285603963 11.01616 11.81741 -8.1136 -6.0034 -8.659 0.8529 -0.1539 1.361 8.20096 -0.74977 5.7230201796 5.7230201796 0.247813107
+N      2.56857795     -0.44879755      1.52779480
+C      2.52492294      0.00045347      0.11604743
+C      2.95653891      1.42314104     -0.03240042
+C      4.05024956      1.88353526     -0.65743561
+O      4.22148398      3.24603523     -0.65100296
+C      3.00128929      3.79832644     -0.05637356
+C      2.23452508      2.61537738      0.57102481
+H      2.25315070     -1.42155594      1.57693727
+H      1.88973996      0.08678637      2.07647653
+H      1.51987989     -0.12026549     -0.34354794
+H      3.21185240     -0.64095286     -0.45791960
+H      4.84050926      1.33279649     -1.16582031
+H      2.43059647      4.27233821     -0.87075152
+H      3.30702308      4.56776675      0.66379719
+H      1.16346782      2.64312559      0.31294013
+H      2.30841274      2.61280962      1.67305378 
+
+18
+-1744.4272845432215 11.153867 12.33045 -9.3151 -7.0265 -10.688 0.8837 -0.069 2.785 10.7512 -2.43106 8.5570549718 11.0872868682 0.19134861
+N      0.81160403      0.44104350      0.90511845
+C      1.73582021      0.29131314     -0.23135801
+C      2.97998407      1.14204617     -0.03801222
+C      3.78961139      0.76928053      1.20274445
+O      4.96859672      1.55415295      1.40851354
+C      3.69572098      1.60785721     -1.28336279
+C      2.90489826      2.59443319     -0.44990814
+H      0.00534854     -0.17556771      0.78489495
+H      0.44594393      1.39713950      0.92374937
+H      1.29077357      0.54587595     -1.21536638
+H      2.02747325     -0.77263189     -0.28308799
+H      4.03939493     -0.30856174      1.15603258
+H      3.16576935      0.91999402      2.09405846
+H      5.63079746      1.27016673      0.75564517
+H      3.29207138      1.30208594     -2.25021803
+H      4.78307379      1.70139301     -1.26196193
+H      3.47687708      3.30844123      0.14374935
+H      1.96409105      2.96955827     -0.85764082 
+
+16
+-1618.478317959701 10.926152 11.61895 -8.2317 -6.0887 -8.898 0.8759 -0.1296 1.304 8.48713 -0.74493 5.888529091 5.888529091 0.242520475
+N      2.24894461     -0.40741277     -1.51626634
+C      2.40148531      0.06091183     -0.13240258
+C      3.36578981      1.25547140     -0.06737014
+C      3.60120018      1.75394610      1.38150332
+O      3.43681012      3.20777790      1.37914664
+C      2.94205150      3.52928691      0.13660460
+C      2.85853529      2.51542636     -0.73358270
+H      1.53232114     -1.13468016     -1.56253591
+H      3.11931625     -0.84367445     -1.83312219
+H      2.75876750     -0.71992525      0.57256644
+H      1.41320501      0.39196445      0.22644310
+H      4.32251308      0.93669584     -0.52711430
+H      4.60543349      1.53755319      1.76906306
+H      2.85209589      1.33928121      2.07812008
+H      2.68777356      4.58132965      0.01745634
+H      2.50457723      2.56747779     -1.75828942 
+
+13
+-1379.0072762848934 9.840994 10.50546 -9.2423 -7.0153 -8.722 1.3442 -0.3483 0.166 8.22728 0.42873 4.4439806036 11.5846567072 0.270583679
+N      2.46597033     -0.51816395     -1.43081997
+C      2.31819201      0.02853948     -0.06920561
+C      2.84560948      1.42647351     -0.01368463
+C      2.20617051      2.60346610      0.23386958
+O      3.13060291      3.62527047      0.17117685
+C      4.30107430      2.98526652     -0.12644487
+N      4.19886493      1.69563954     -0.24528867
+H      2.24458929     -1.51676593     -1.42024294
+H      3.45134078     -0.44559099     -1.70116153
+H      2.84208878     -0.56124966      0.71024165
+H      1.24938614      0.03770162      0.19419453
+H      1.18399750      2.88818958      0.45271667
+H      5.18347303      3.60947371     -0.22789106 
+
+9
+-1112.2177366979104 8.949917 9.34541 -10.0474 -8.0633 -9.399 0.1773 -1.6022 -0.648 8.97819 1.25884 4.5434545714 7.2288673454 0.369069342
+N      0.93895421     -0.00789668     -0.00475560
+C      2.10716298     -0.02246414     -0.00152828
+C      3.52709415     -0.00268379      0.00227885
+C      4.34465520      1.09682774      0.00089274
+O      5.63636412      0.65674884      0.00589002
+C      5.52685485     -0.71329833      0.01008990
+N      4.31103169     -1.16173284      0.00825152
+H      4.17879133      2.16697112     -0.00307420
+H      6.45593148     -1.27387191      0.01447504 
+
+17
+-1619.478659164851 10.605888 11.53778 -9.399 -7.2166 -10.571 0.8578 -0.127 2.634 10.34608 -2.31218 8.3571275468 11.7009431766 0.148374648
+N      1.32595225     -0.03215646      0.91615908
+C      2.14741727     -0.03834204     -0.31495776
+C      3.16497392      1.08586907     -0.23707594
+C      4.17285168      0.97482013      0.89459595
+O      3.57642951      1.08120272      2.18530164
+C      3.55472731      1.81758816     -1.47260273
+N      2.57681575      2.41732634     -0.53757880
+H      0.71707202     -0.85231781      0.94618502
+H      0.71652168      0.79117525      0.89274957
+H      1.55259183      0.07438389     -1.23961791
+H      2.67386110     -1.00524185     -0.36873992
+H      4.91757909      1.78492586      0.81191841
+H      4.72210947      0.01551893      0.78630534
+H      2.73272052      0.56806612      2.11656943
+H      3.14064671      1.51660071     -2.43867399
+H      4.56542916      2.23205479     -1.51604966
+H      3.04353075      3.12180620      0.04480229 
+
+16
+-1562.0088494539957 9.847696 10.90571 -9.5581 -7.2483 -10.837 0.8659 -0.1482 2.86 10.23703 -2.5677 8.6651087708 13.3192704416 0.181808729
+N      1.97224161     -0.21329870     -1.31798686
+C      2.51372196      0.15570899     -0.00103323
+C      3.29573938      1.46107940     -0.12754947
+C      2.43648982      2.66864686     -0.55813695
+O      2.94690971      3.74945337      0.23502075
+C      3.26460173      3.12673728      1.46171888
+O      3.84533063      1.86002618      1.14877013
+H      1.32456906     -0.99744473     -1.22315586
+H      2.72722777     -0.54111695     -1.92636167
+H      3.16839763     -0.60553777      0.46427370
+H      1.66889663      0.32165267      0.68675636
+H      4.14582114      1.32008288     -0.82037963
+H      1.36865219      2.48359824     -0.33494798
+H      2.54228394      2.93891926     -1.61425297
+H      4.00046710      3.74144359      1.99882433
+H      2.34800970      2.98341943      2.07511048 
+
+14
+-1420.731057777781 9.871322 10.6751 -8.0493 -5.9362 -8.876 0.9651 -0.109 1.076 8.47944 -0.53917 5.573542658 11.5013009194 0.326193432
+N      2.38872451     -0.18646070      1.59852121
+C      2.58614120      0.01567286      0.14909109
+C      3.04982466      1.39208239     -0.15097702
+C      4.15246442      1.89169440     -0.72419847
+O      4.04927014      3.27396865     -0.88673756
+C      2.95970856      3.61309451     -0.01728371
+O      2.14662454      2.43843106      0.11090452
+H      1.98011391     -1.11119176      1.75538005
+H      1.69701450      0.48985340      1.93353448
+H      1.67386739     -0.17215309     -0.45588897
+H      3.35785543     -0.68503589     -0.20336513
+H      5.03894593      1.40977148     -1.11899134
+H      2.37158771      4.42622410     -0.46129366
+H      3.36344712      3.88453859      0.98110451 
+
+16
+-1549.7682998628136 9.851362 11.02779 -9.4527 -7.1551 -10.793 0.8711 -0.1125 2.419 10.16698 -2.10639 8.3508662538 10.933581424 0.130109828
+N      0.74961571      0.90818468      1.23273452
+C      1.68411191      0.20533230      0.34318492
+C      2.97231521      0.99286616      0.20260712
+C      3.78094848      1.21233608      1.47604602
+O      4.84721621      2.13736000      1.29255615
+C      3.63562819      1.08594547     -1.10715505
+O      2.84774497      2.19959489     -0.61046909
+H     -0.07745041      0.33172386      1.39641768
+H      0.42423048      1.76031569      0.76852397
+H      1.28942819      0.00707885     -0.67246040
+H      1.92125317     -0.77250286      0.79572997
+H      4.23254080      0.25774031      1.78991398
+H      3.08772563      1.53914464      2.27091336
+H      4.45402387      2.89109521      0.80922354
+H      3.20204345      0.56823309     -1.96919409
+H      4.71343414      1.26966160     -1.13904260 
+
+11
+-1205.7909880988695 9.002957 9.57116 -10.0189 -7.9606 -10.838 0.7565 -1.1488 -0.208 10.41636 0.73116 5.2812580616 9.5730334516 0.148651454
+N      0.97603724     -0.01803980     -0.21965893
+C      2.13770428     -0.00586464     -0.11507543
+C      3.59610311      0.00655490      0.01222923
+C      4.19569574     -1.26212560      0.66573984
+O      4.78575672     -0.80812846      1.93052222
+N      4.70923510      0.57682543      2.01201352
+C      4.08343973      1.05680157      1.00133853
+H      4.01613259      0.18711088     -0.99057885
+H      4.99998874     -1.69324776      0.05476623
+H      3.44391321     -2.02571542      0.89827729
+H      3.91683354      2.12827890      0.91535635 
+
+13
+-1341.2761800809353 11.188204 10.54788 -7.6681 -5.736 -8.418 0.5518 -1.0728 -0.389 7.9455 0.92412 4.282290461 4.282290461 0.387597885
+N      1.01878634     -0.11051895     -0.38336151
+C      2.34190532      0.02247823      0.02070854
+C      3.06154328      1.17239418      0.06902048
+C      4.52706597      1.32408977      0.40184251
+O      4.75381563      2.77295476      0.35580383
+N      3.56695638      3.42323087     -0.02188476
+C      2.63595160      2.53061640     -0.18146799
+H      0.52300262     -0.91045938     -0.00145549
+H      0.45149619      0.73337298     -0.37618171
+H      2.82840390     -0.92864983      0.24821777
+H      5.20189048      0.85864249     -0.33635934
+H      4.80138822      0.97593486      1.41094685
+H      1.64769407      2.87864362     -0.48052919 
+
+15
+-1473.1235125427092 10.187819 10.76983 -9.0231 -6.9574 -10.277 0.8772 -0.4534 0.504 9.87367 0.09372 5.4262968844 6.239781429 0.137553624
+N      2.39169441     -0.39112981     -1.59621860
+C      2.42639444      0.03236349     -0.19147110
+C      3.35846063      1.24378977     -0.01688973
+C      3.46549589      1.75570397      1.42865187
+O      3.20700296      3.19820198      1.36739283
+N      2.78215915      3.53118099      0.06930712
+C      2.85842364      2.49751550     -0.68876975
+H      1.65119330     -1.08054820     -1.73785495
+H      3.26857211     -0.85576774     -1.84623986
+H      2.74643792     -0.75918131      0.51659402
+H      1.40686376      0.32991076      0.10185897
+H      4.35008745      0.97677672     -0.42760217
+H      4.45674554      1.61765355      1.88003280
+H      2.70069714      1.30381290      2.08322820
+H      2.56966166      2.57546743     -1.73547966 
+
+17
+-1618.8492479089625 10.637733 11.77082 -9.3333 -7.1136 -10.796 0.7086 -0.3067 2.874 10.26963 -2.61641 8.52837701 13.2270372562 0.155332931
+N      0.94196361      0.68495045     -0.56015988
+C      2.33662628      0.24541898     -0.39901616
+C      3.24854022      1.38373591      0.02953155
+N      3.04456887      2.72907973     -0.55326209
+C      2.77020374      2.49579972      0.88775141
+C      3.70758729      3.25650584      1.81259549
+O      4.97240264      3.47550424      1.20213763
+H      0.43175447      0.60563598      0.32131943
+H      0.45693463      0.08679273     -1.22883135
+H      2.68796528     -0.11865926     -1.37826373
+H      2.46279975     -0.59426598      0.31119423
+H      4.30388467      1.10534827      0.11705034
+H      2.14505350      2.70950327     -1.05281107
+H      1.71754307      2.48284142      1.18972756
+H      3.87673882      2.69150340      2.74385272
+H      3.22909661      4.21876743      2.08675615
+H      4.75456655      3.61336787      0.25224776 
+
+17
+-1617.4127561637686 10.693686 11.63441 -8.7516 -6.6266 -10.288 0.8272 -0.171 2.904 9.58106 -2.63618 8.1287329362 10.5775184292 0.072875786
+N      1.99450958     -0.19284637     -1.33477151
+C      2.29790674      0.14256969      0.06508439
+C      3.46402733      1.12839806      0.12259712
+N      3.24317794      2.41445262     -0.59363455
+C      2.88360617      3.08828135      0.68493012
+C      3.56198763      1.92342211      1.45782452
+O      4.87518456      2.17866998      1.93509989
+H      1.15113563     -0.76717266     -1.38799216
+H      2.75208029     -0.75528461     -1.73203213
+H      2.54259338     -0.72927292      0.70701485
+H      1.39775965      0.61533306      0.49326383
+H      4.40004870      0.61731508     -0.17363534
+H      2.50281370      2.35262996     -1.29859169
+H      3.34093681      4.08086727      0.82645908
+H      1.80123391      3.16433418      0.89305310
+H      3.01047339      1.50529732      2.31125775
+H      5.38151458      2.56203589      1.19508272 
+
+17
+-1621.614472177213 10.779199 11.76209 -8.8313 -6.6929 -10.192 0.6562 -0.3919 2.895 9.77069 -2.53314 7.9823302674 12.9578884474 0.147871909
+N      2.54510181     -1.25473115     -0.32488647
+C      2.06464684      0.00321473      0.27321564
+C      3.11663660      1.09201479      0.21329047
+N      4.30639798      0.94372592      1.03758373
+C      3.33501210      1.83507737     -1.09256726
+C      2.69093482      2.54699776      0.07770488
+O      3.41446539      3.50758172      0.79621323
+H      1.77766207     -1.92816628     -0.37564628
+H      3.24966378     -1.68086891      0.28297050
+H      1.72937709     -0.09889068      1.32872790
+H      1.18489863      0.33222239     -0.30239685
+H      4.06648644      0.58197909      1.96474714
+H      4.98311407      0.30789711      0.60985394
+H      2.72492164      1.53150437     -1.94425820
+H      4.35588642      2.13649571     -1.33258333
+H      1.62495711      2.78275497      0.03267637
+H      4.18174718      2.99859111      1.15175460 
+
+13
+-1379.5975000446267 9.933475 10.63592 -9.1748 -7.0265 -8.685 1.0377 -0.4088 0.317 8.27445 0.32381 4.5528031158 11.8460191952 0.248305518
+N      2.64631007     -0.57202555     -1.33959539
+C      2.41165299      0.04409667     -0.02221592
+C      2.84552316      1.47113937     -0.00822999
+N      2.15082719      2.53893363      0.26775926
+C      3.05567849      3.59071541      0.14976135
+C      4.27422864      3.09949611     -0.20115173
+O      4.16537816      1.73030616     -0.30409303
+H      2.30313256     -1.53474174     -1.32423080
+H      3.65221338     -0.62763986     -1.51838678
+H      2.90736748     -0.47951503      0.82170447
+H      1.33343883      0.05044701      0.18390001
+H      2.76178533      4.62169798      0.32090193
+H      5.24799373      3.52684985     -0.40871337 
+
+9
+-1108.649341471042 9.34129 9.44311 -9.9876 -7.9982 -9.296 -0.3522 -2.1645 -1.21 8.88484 1.66357 3.9689406432 3.9689406432 0.250847024
+N      0.98652299     -0.07593359      0.00514286
+C      2.15253619     -0.00270172      0.00137471
+C      3.56781850      0.07906377     -0.00319037
+N      4.31364183      1.15429544     -0.00745313
+C      5.60801836      0.66853824     -0.01063531
+C      5.58026206     -0.69738424     -0.00809607
+O      4.27387079     -1.10314685     -0.00327374
+H      6.46771062      1.33069770     -0.01450394
+H      6.32879866     -1.48083874     -0.00903500 
+
+17
+-1616.287955249 10.663488 11.53789 -9.0868 -6.9068 -10.32 0.8176 -0.2129 2.792 9.87416 -2.49801 8.0808743402 12.9410263514 0.083277319
+N      1.97183485     -0.56680676     -1.27099337
+C      2.32412095      0.01537360      0.03603979
+C      3.14538074      1.29962366     -0.13542262
+N      4.34666089      0.99997841     -0.89749843
+C      2.25869557      2.53241001     -0.47996479
+O      2.27267828      2.96174845      0.91362503
+C      3.35482975      2.03230260      1.20723507
+H      1.03847790     -0.97579484     -1.24652489
+H      2.61182461     -1.32608858     -1.50765298
+H      2.90686264     -0.67754774      0.67027172
+H      1.40399880      0.26850555      0.58377456
+H      4.87630848      1.85740123     -1.07409906
+H      4.06552733      0.63717839     -1.81410797
+H      1.23873533      2.34610328     -0.85174400
+H      2.76579801      3.26686065     -1.13327994
+H      4.33071679      2.54775859      1.27756735
+H      3.17364908      1.46072349      2.13285454 
+
+11
+-1209.0946249416045 9.579051 9.8879 -9.8164 -7.7904 -10.498 -0.2161 -2.0418 -1.055 10.05368 1.45288 4.7435555768 12.0043369186 0.355827308
+N      1.03461819     -0.05197503      0.22101070
+C      2.19859684     -0.06615185      0.10374636
+C      3.60670121      0.02420319     -0.03741219
+N      4.33552675     -1.04276620     -0.17620422
+O      5.65680714     -0.69420302     -0.28229234
+C      5.78905871      0.78177684     -0.32090840
+C      4.39271291      1.31784193      0.00449206
+H      6.12771384      1.04424648     -1.33273533
+H      6.55887522      1.05063819      0.41217414
+H      4.02339179      2.04319142     -0.73198209
+H      4.31861740      1.77841805      1.00079130 
+
+15
+-1475.6865620851934 10.326737 11.01913 -8.8663 -6.8 -10.041 0.7885 -0.4029 0.665 9.53818 0.00434999999999 5.4833180458 6.1534623758 0.154368251
+N      2.44647263     -0.34850642      1.47784738
+C      2.51594599      0.04014853      0.05576581
+C      2.92328121      1.47676692     -0.09272637
+N      3.91954044      1.80860464     -0.83583430
+O      4.09879728      3.20203560     -0.81428784
+C      2.98618277      3.81075320     -0.07222942
+C      2.27048082      2.64395375      0.61180071
+H      2.43728242     -1.36771681      1.54842744
+H      1.56568142     -0.03049680      1.88977202
+H      1.56443996     -0.11708570     -0.49391956
+H      3.28073438     -0.57104029     -0.44192845
+H      2.34245964      4.33020129     -0.79993299
+H      3.41860288      4.54280625      0.62178998
+H      1.18017892      2.66442643      0.46564291
+H      2.46522925      2.58274941      1.69481268 
+
+16
+-1599.4802074717702 11.5711 12.57787 -9.6128 -7.3055 -9.675 1.3397 -0.3252 0.993 9.18524 -0.43604 6.5588222042 6.5588222042 0.533996998
+N      1.34352895     -0.37017156      0.88600557
+C      2.05023295      0.26029820     -0.23611313
+C      3.18119503      1.11449554      0.29394952
+O      3.79987745      2.01963123     -0.63203965
+C      3.02862267      2.57947975      0.47064871
+C      3.78373811      3.32525088      1.49341884
+C      3.33596980      4.44515935      2.07646352
+H      0.69452652     -1.07924188      0.54092213
+H      0.78103787      0.32389176      1.38421548
+H      1.42392062      0.88146197     -0.90670651
+H      2.48649616     -0.53984428     -0.85588945
+H      3.87683481      0.59180223      0.96387066
+H      2.07471326      3.02539679      0.15724807
+H      4.75807643      2.90740629      1.76554350
+H      2.37191101      4.88194261      1.80440015
+H      3.91405836      4.95882112      2.84458260 
+
+14
+-1438.0523422553551 11.047408 12.41247 -9.5438 -7.2596 -9.91 0.9268 -0.1792 1.907 9.54101 -1.5107 4.3611331584 10.4574503868 0.437698287
+N      2.96236165     -1.19333116     -0.36978793
+C      2.34774751      0.02094885      0.18327320
+C      3.38005512      1.11211864      0.34177327
+O      3.67721530      1.93423225     -0.79727508
+C      2.99383465      2.54447138      0.33016510
+C      3.70837637      3.53184119      1.09392254
+C      4.28467442      4.38298132      1.74008981
+H      2.23712012     -1.86842876     -0.61886060
+H      3.54637719     -1.64734518      0.33697381
+H      1.85039261     -0.11984620      1.16645811
+H      1.58231051      0.37296510     -0.52483423
+H      4.26615313      0.84964790      0.93578237
+H      1.94123502      2.78245922      0.13250252
+H      4.80362642      5.13065543      2.30436711 
+
+17
+-1616.7498363476784 10.868449 12.28506 -9.4328 -7.1107 -10.694 0.8949 -0.1172 2.787 10.05192 -2.53503 8.5434289104 10.7453458788 0.163840351
+N      1.77583765     -0.45943166      1.17116266
+C      2.13428413      0.24904220     -0.06551938
+C      3.16448145      1.31343881      0.24189223
+O      3.40358713      2.29496252     -0.78876303
+C      2.78871565      2.72227514      0.45611217
+C      3.60638176      3.65687460      1.30924846
+N      3.50560415      5.02585024      0.78394339
+H      1.22464798     -1.29116646      0.95273561
+H      1.18442818      0.13454840      1.75740121
+H      1.28953834      0.72186678     -0.60368088
+H      2.58676960     -0.48150154     -0.75542054
+H      4.07054527      0.94322216      0.73924722
+H      1.73221268      3.00158167      0.34314522
+H      4.63834772      3.25847404      1.37219826
+H      3.18714532      3.64990151      2.32963973
+H      3.94963458      5.06335141     -0.13771029
+H      4.02749841      5.66930018      1.38224798 
+
+16
+-1549.3569362968062 10.143977 11.54386 -9.7349 -7.3965 -10.989 0.8231 -0.2073 2.558 10.34415 -2.30671 8.6509743668 10.8916989532 0.192712486
+N      1.01132912      0.12667064      0.37550871
+C      2.02925020      0.65642321     -0.54125230
+C      3.04640915      1.45770816      0.24162097
+O      3.94551093      2.28321431     -0.52773283
+C      2.97315417      2.92858214      0.33800657
+C      3.55943579      3.68899943      1.49802471
+O      4.14814229      4.92557359      1.08478613
+H      0.44485562     -0.57979976     -0.09617455
+H      0.37099193      0.87095573      0.66153055
+H      1.64398008      1.28544987     -1.36694469
+H      2.54819161     -0.19839359     -1.00332893
+H      3.51968885      0.91283320      1.06885695
+H      2.17757719      3.44679527     -0.21426192
+H      4.29243470      3.04980690      2.02323599
+H      2.76421198      3.95691001      2.21060756
+H      4.84397638      4.70218089      0.43998708 
+
+17
+-1615.9576836670205 10.878306 11.95818 -9.1128 -6.8853 -10.353 0.7815 -0.1896 2.829 9.86001 -2.54584 8.1794928046 9.6489500794 0.074363385
+N      2.38578100     -0.61288251     -1.42491739
+C      2.40220397     -0.03241282     -0.07795861
+C      3.28642044      1.19605201      0.00036758
+O      2.72801818      2.38858773     -0.63078555
+C      3.11011477      3.20011807      0.51535191
+C      3.39728001      1.94560023      1.36033647
+N      4.59810867      1.95841668      2.17177846
+H      1.69505521     -1.36417037     -1.47803589
+H      3.29311755     -1.03486250     -1.63846666
+H      2.74830930     -0.72586862      0.72185973
+H      1.37491904      0.27103865      0.17910400
+H      4.29042905      0.97432348     -0.42250033
+H      4.02140028      3.79375828      0.31142662
+H      2.30049704      3.87180554      0.83849842
+H      2.54284473      1.69606657      2.00902474
+H      5.43122523      2.04729632      1.58413208
+H      4.69474553      1.09359327      2.70719444 
+
+17
+-1619.5376530115464 10.898469 11.94115 -8.6125 -6.4624 -9.851 0.6767 -0.3641 2.805 9.45045 -2.44316 7.7300807504 12.924672598 0.165905237
+N      2.77179069     -1.08381962     -0.62366478
+C      2.25302236      0.04085803      0.16752586
+C      3.25219744      1.17154944      0.21912080
+O      4.44525443      0.86456545      0.93290044
+C      3.47762236      2.05222349     -0.98111323
+C      2.79466998      2.63242997      0.23409117
+N      3.46355390      3.66000781      1.00044997
+H      2.15491477     -1.89379609     -0.53186216
+H      3.68002101     -1.36220576     -0.24204887
+H      1.98434308     -0.22606196      1.21509086
+H      1.32823758      0.40741087     -0.30812157
+H      4.20598022      0.79499072      1.87656266
+H      2.89793638      1.85232061     -1.88220490
+H      4.50921667      2.36313579     -1.15728467
+H      1.71697489      2.80329710      0.15316044
+H      4.46481425      3.45147167      1.04790217
+H      3.12192000      3.65607248      1.96630582 
+
+16
+-1548.4809896729853 10.126787 11.30133 -9.2531 -6.9943 -10.669 0.9037 -0.1072 2.644 10.0328 -2.39345 8.4680454224 13.484593374 0.075247575
+N      2.40572331     -0.59495063     -1.38872601
+C      2.41613947     -0.01045789     -0.04260025
+C      3.27504358      1.23671522      0.02151686
+O      2.67758543      2.42657920     -0.58633303
+C      3.09070449      3.24217106      0.54450699
+C      3.40708562      1.98043043      1.37137789
+O      4.60226785      1.89301504      2.12079774
+H      1.70231841     -1.33386992     -1.44590106
+H      3.30663880     -1.03787989     -1.58693569
+H      2.78183625     -0.69026796      0.75732544
+H      1.38432653      0.27415033      0.21767066
+H      4.27279001      1.03849066     -0.42665410
+H      3.99525511      3.83887693      0.31405181
+H      2.28895705      3.91138544      0.89161740
+H      2.59731309      1.71702397      2.06738043
+H      5.34054499      2.14918800      1.53769492 
+
+16
+-1551.9688526760199 10.097698 11.23185 -9.1585 -6.974 -10.693 0.7295 -0.3487 2.677 10.43099 -3.05485 8.2351005256 10.8602932994 0.148782377
+N      2.81164877     -1.06082617     -0.60359835
+C      2.24965405      0.06972214      0.14637657
+C      3.21272702      1.23040913      0.17848436
+O      4.38355948      1.00963539      0.96735575
+C      3.46844231      2.06588237     -1.05070225
+C      2.74620254      2.67275666      0.13717223
+O      3.38630517      3.61479719      0.96032396
+H      2.20111892     -1.87632691     -0.52201160
+H      3.71072560     -1.32411628     -0.19175215
+H      1.96813490     -0.17008611      1.19690124
+H      1.32414498      0.39713261     -0.35480564
+H      4.08057061      0.84142961      1.88084846
+H      2.91265729      1.81589719     -1.95486961
+H      4.49771358      2.39109087     -1.20987787
+H      1.67844225      2.88742030      0.05676115
+H      4.23505251      3.20405200      1.22396374 
+
+12
+-1349.2073539236537 9.692807 10.44258 -10.0955 -7.8521 -9.621 1.0672 -0.7007 0.572 9.1667 -0.04839 5.3606091016 11.6756624312 0.256833294
+N      0.95408075      0.06704425     -0.13812048
+C      2.11703175      0.02199948     -0.06128055
+C      3.59588326     -0.01576199      0.02568624
+O      4.04747026     -1.20707495      0.68615144
+C      4.63612581     -0.85145397      1.95755110
+C      4.71852937      0.64327201      1.94797703
+C      4.13497976      1.13218295      0.85234597
+H      3.98418737     -0.01744128     -1.01034687
+H      5.62256416     -1.34095338      2.02695609
+H      4.00827108     -1.22756009      2.78724417
+H      5.18024977      1.22341896      2.74565620
+H      4.00963665      2.17477803      0.56860968 
+
+18
+-1751.7322708293996 11.129424 12.19281 -9.1671 -6.8815 -10.496 0.9239 -0.0635 2.822 9.83838 -2.53877 8.5472104834 13.531708054 0.087047193
+N      1.77758693     -0.27195584     -1.20596392
+C      2.28706504      0.19813789      0.08617597
+C      3.34269411      1.28389163     -0.11180324
+O      4.43351759      0.63999272     -0.77797693
+C      2.77823275      2.59543647     -0.72785292
+C      2.67085949      3.17704197      0.70851185
+C      3.64094839      2.06712910      1.19982205
+H      1.09268379     -1.01608831     -1.06204225
+H      2.55424877     -0.68189405     -1.73150703
+H      2.75152289     -0.59031319      0.71425282
+H      1.44859566      0.62241372      0.66072867
+H      5.06731739      1.32919005     -1.04080845
+H      1.87119122      2.49610796     -1.33791819
+H      3.54974380      3.11779197     -1.31540477
+H      2.99238393      4.21663312      0.85164387
+H      1.66147507      3.06529174      1.12788105
+H      4.68472570      2.41579723      1.21491287
+H      3.42597746      1.55920583      2.15210855 
+
+16
+-1617.4181633213127 11.009162 11.72473 -8.9062 -6.6664 -9.003 1.0534 -0.0856 1.314 8.57262 -0.70787 6.0745452868 6.0745452868 0.304944713
+N      2.41154771     -0.41150671     -1.49573583
+C      2.40332102      0.11195707     -0.12156008
+C      3.34536605      1.32167971     -0.02067979
+O      3.48323913      1.71262047      1.36338075
+C      3.22423015      3.12310661      1.49688355
+C      2.77882784      3.57251630      0.13749505
+C      2.85687197      2.55484393     -0.72489815
+H      1.65503435     -1.08724345     -1.61564895
+H      3.28010786     -0.92452099     -1.66837968
+H      2.70714210     -0.61511746      0.65566360
+H      1.38279821      0.44556668      0.12123252
+H      4.34181623      1.01408263     -0.40957206
+H      4.14432722      3.64434926      1.83000534
+H      2.45532718      3.27910942      2.27651786
+H      2.44966388      4.58811265     -0.08103878
+H      2.60605909      2.56156387     -1.78389536 
+
+16
+-1562.2184943416428 10.009064 11.2001 -9.3253 -7.0041 -10.571 1.0102 0.0272 3.131 9.94536 -2.86153 8.5755164872 11.3862915058 0.092793575
+N      2.29338735     -0.39384444     -1.43153341
+C      2.43513181      0.10544611     -0.05878997
+C      3.14267145      1.45326324     -0.04377372
+O      2.26775500      2.50619014     -0.41305242
+C      2.90199292      3.67100348      0.12088723
+C      3.47416859      3.17664825      1.46069099
+O      3.59012210      1.75230539      1.28753683
+H      1.56982721     -1.11241950     -1.46860150
+H      3.16004473     -0.84081862     -1.73846979
+H      2.99619233     -0.55965649      0.62423371
+H      1.43616160      0.25872080      0.37474958
+H      4.02031260      1.44747095     -0.73073142
+H      3.70652765      4.01884234     -0.55453924
+H      2.14560757      4.45936671      0.22203917
+H      4.46155892      3.61282857      1.68154421
+H      2.79344816      3.37290308      2.30404975 
+
+14
+-1419.9296530695326 9.768755 10.58769 -8.0146 -5.8544 -9.067 0.9631 -0.0511 1.029 8.74769 -0.55885 5.682216387 5.682216387 0.183349567
+N      3.04394389     -1.04860729     -0.52515375
+C      2.39898310      0.09355056      0.12878268
+C      3.21331931      1.35875607     -0.09078024
+O      3.07879181      1.86760450     -1.43489788
+C      3.02893534      3.24708733     -1.26852692
+C      2.84504179      3.56225032      0.01746961
+O      2.75671398      2.40670290      0.79245759
+H      2.37806044     -1.81436668     -0.63190970
+H      3.80936985     -1.40551591      0.05085940
+H      2.25388375     -0.00929511      1.22167933
+H      1.40897297      0.25578643     -0.32146949
+H      4.29709149      1.18723386      0.10026888
+H      3.08773362      3.85681552     -2.16233561
+H      2.70694867      4.51096751      0.52164609 
+
+17
+-1619.1611124743192 10.714273 11.58333 -8.9243 -6.7364 -10.48 0.8612 -0.1525 2.853 9.79801 -2.54534 8.2837774292 10.4805613772 0.063843115
+N      1.87424460     -0.40457637     -1.27031345
+C      2.31252137      0.07019035      0.04574188
+C      3.28143211      1.23648713     -0.10352115
+O      4.43380772      0.72627856     -0.76448825
+C      2.62043017      2.52951573     -0.65580360
+N      2.42089897      2.97519460      0.75233462
+C      3.47962922      2.03740787      1.21508994
+H      1.18780167     -1.15270403     -1.16191235
+H      2.67510431     -0.80449530     -1.76510017
+H      2.81504086     -0.69735495      0.67034107
+H      1.43578631      0.43401868      0.60244900
+H      5.01506030      1.47680778     -0.97738863
+H      1.70445255      2.41090370     -1.25189617
+H      3.35693735      3.13115127     -1.22524148
+H      2.61802568      3.96284684      0.92327502
+H      4.49824173      2.47026158      1.25134361
+H      3.26935506      1.52794655      2.16982013 
+
+16
+-1550.3699031152914 9.966309 10.93845 -9.4332 -7.1385 -10.654 0.877 -0.1793 2.577 10.00968 -2.28507 8.4681074154 12.8674282618 0.069548194
+N      1.94743809     -0.44209364     -1.30403849
+C      2.33087186      0.01028881      0.03549304
+C      3.17137020      1.27665796     -0.06109050
+O      4.37140546      0.91995122     -0.73838239
+C      2.38676745      2.51591864     -0.55029284
+O      2.29094745      3.02156694      0.81588916
+C      3.28371978      2.05864273      1.26930070
+H      1.34980082     -1.26763110     -1.24110431
+H      2.78805377     -0.72031748     -1.81607142
+H      2.90771415     -0.72879368      0.62979987
+H      1.41832679      0.25163690      0.60229523
+H      4.87226776      1.73487010     -0.91837691
+H      1.40395952      2.33844308     -1.01016967
+H      2.98622615      3.19012999     -1.19106778
+H      4.27632081      2.52585493      1.41265227
+H      2.97912995      1.54716460      2.19667404 
+
+18
+-1742.6849336163623 11.371672 12.87238 -9.2679 -6.9637 -10.691 0.9284 -0.0267 2.981 10.58313 -2.65868 8.666125456 10.6411852402 0.240687872
+N      0.83683389      0.05137353     -0.02067603
+C      2.28694263     -0.07476585     -0.23474349
+C      3.00515516      1.20994514      0.18504662
+C      4.50898656      1.11804627      0.04575333
+C      5.42999098      2.03762524      0.84328645
+C      5.36199728      0.56864673      1.16056718
+O      6.44668042     -0.30823501      0.93455525
+H      0.37206167     -0.82857133     -0.25547073
+H      0.45330561      0.75244340     -0.66107799
+H      2.57020788     -0.31894404     -1.28008669
+H      2.64923254     -0.90721830      0.38984943
+H      2.73465861      1.43840223      1.22942314
+H      2.62825636      2.05472657     -0.42114473
+H      4.87010378      0.87880059     -0.96050096
+H      4.98627152      2.74683688      1.54510033
+H      6.32669844      2.40768472      0.34062757
+H      4.84824634      0.27718041      2.07974078
+H      7.04439033      0.10717285      0.28908055 
+
+18
+-1741.5478944686365 11.203204 12.61645 -9.3775 -7.049 -10.713 0.8718 -0.0829 2.939 10.71283 -2.66076 8.7070656332 10.3603197544 0.134457338
+N      1.19088620     -0.38481700     -0.45604798
+C      2.64968077     -0.26417182     -0.60342831
+C      3.19831318      0.78510068      0.36379515
+C      4.70892314      0.90176481      0.30805549
+C      5.37343021      1.62529864     -0.88598749
+C      6.06003675      2.48146074      0.19186553
+O      5.23043141      1.90325357      1.24155212
+H      0.83336990     -1.09623279     -1.09766562
+H      0.74277852      0.49423729     -0.72974527
+H      2.97793519     -0.01762398     -1.63511512
+H      3.09002306     -1.24578237     -0.36006119
+H      2.89561684      0.52253297      1.39002496
+H      2.75857611      1.77351898      0.14169471
+H      5.17283268     -0.08265203      0.51756109
+H      4.65675124      2.18294547     -1.50455589
+H      6.02566843      1.02332017     -1.53043938
+H      7.12815336      2.24872765      0.34840252
+H      5.93200301      3.57322901      0.12722469 
+
+14
+-1479.7453849911312 9.930378 11.22176 -10.0552 -7.8531 -11.635 0.867 -0.178 1.303 11.4999 -0.96103 5.3801492952 12.3597799834 0.308737611
+N      2.85421136     -0.97185151     -2.26829136
+C      3.17260973     -0.52754681     -1.23769560
+C      3.57967245      0.07070891      0.02821806
+C      4.39042919      1.35647334     -0.18202877
+C      3.64570079      2.62913632     -0.63073969
+C      4.21062474      3.24729002      0.66141475
+O      4.74465312      1.95528622      1.09444960
+H      4.18859450     -0.65249378      0.59292106
+H      2.68587100      0.29170359      0.63199642
+H      5.29168086      1.12998336     -0.77891878
+H      2.55348945      2.52193185     -0.64296324
+H      3.97834287      3.07356371     -1.57520945
+H      5.02088816      3.97871884      0.50899737
+H      3.48480178      3.64720594      1.38532963 
+
+18
+-1738.9503806542018 11.14463 12.51124 -9.4524 -7.1214 -10.778 0.8645 -0.1129 2.813 10.1303 -2.52794 8.7099793042 10.5651322278 0.117035485
+N      0.82540148      0.11227635     -0.21553161
+C      2.28207128     -0.06945765     -0.30338415
+C      3.00984114      1.17738330      0.20100970
+C      4.52515191      1.04183683      0.16926438
+C      5.24741090      1.08077384     -1.19684101
+O      6.15000299      2.13082023     -0.74388572
+C      5.37712436      2.29121221      0.48183116
+H      0.34750785     -0.73992859     -0.51681105
+H      0.52988630      0.84666496     -0.86500238
+H      2.64463228     -0.31296547     -1.32442812
+H      2.55091855     -0.92613574      0.33707113
+H      2.66843725      1.39028767      1.22753163
+H      2.71428084      2.04694156     -0.41475249
+H      4.84516336      0.17615059      0.76990322
+H      4.61015258      1.42891924     -2.03137816
+H      5.79639071      0.17829706     -1.50876189
+H      6.01816827      2.25464749      1.37660415
+H      4.80511795      3.23720614      0.47796122 
+
+14
+-1476.3862622127822 9.883792 11.12251 -10.0217 -7.7675 -11.688 0.7415 -0.2986 1.3 11.44283 -0.92901 5.3813395608 12.2460724228 0.254831391
+N      3.55650075     -1.05943315     -2.40072026
+C      3.57948130     -0.60326354     -1.32739481
+C      3.62875836     -0.00162407      0.00236111
+C      4.38732002      1.33312216      0.01239640
+C      3.63810577      2.51561699     -0.63719682
+O      3.32441616      3.08576000      0.66823921
+C      4.21948554      2.13988742      1.31697174
+H      4.10403797     -0.71853244      0.69126476
+H      2.59563013      0.15039093      0.35601806
+H      5.42055373      1.18565859     -0.32784058
+H      2.73079055      2.27283541     -1.21294463
+H      4.28012982      3.18879583     -1.22949972
+H      5.14388731      2.62906852      1.66895715
+H      3.73321259      1.62435737      2.16184837 
+
+18
+-1746.0373172964973 11.288608 12.68239 -9.2089 -6.8834 -10.627 0.8657 -0.1073 2.862 10.03796 -2.5044 8.620436615 12.712160594 0.221323564
+N      0.80019322      0.29337534     -0.21462458
+C      2.19199416      0.25882014     -0.69738185
+C      3.16040486      0.45420817      0.47111618
+C      4.61971079      0.35209548      0.07202905
+O      5.05598733      1.32800664     -0.86716115
+C      5.64191078     -0.14308036      1.06922237
+C      5.24546071     -0.99763343     -0.12554531
+H      0.16102790      0.12926120     -0.99607159
+H      0.58090761      1.23224687      0.13133687
+H      2.42051632      1.00330271     -1.48349046
+H      2.36839571     -0.73479099     -1.14087421
+H      2.93562140     -0.29434140      1.24741729
+H      2.98365324      1.44365120      0.93576932
+H      5.09751538      2.18108615     -0.39732154
+H      5.30259704     -0.44133509      2.06227872
+H      6.62810104      0.32036153      1.03145017
+H      5.97069678     -1.08675640     -0.93388682
+H      4.62905572     -1.88025776      0.04868754 
+
+18
+-1739.4336545837675 11.233633 12.68482 -9.2315 -6.8827 -10.567 1.0031 0.0693 2.788 9.93096 -2.49997 8.7842965126 11.295806523 0.372106204
+N      0.72650762      0.12465983      0.35329145
+C      2.16690874     -0.16654796      0.24017171
+C      2.94260859      1.12275214     -0.03605801
+C      4.46777080      0.94844588     -0.06381524
+C      4.98028494      0.12663035     -1.22141018
+C      6.24035660     -0.63218820     -1.15320096
+O      4.97369618     -1.31561745     -1.08252590
+H      0.22064131     -0.73194285      0.59072410
+H      0.36459314      0.41650066     -0.55944615
+H      2.41598822     -0.92344094     -0.52759460
+H      2.49974380     -0.58205199      1.20601833
+H      2.66925338      1.86015903      0.73523703
+H      2.60946519      1.54919649     -1.00054671
+H      4.81632507      0.48977440      0.87667974
+H      4.94051090      1.94387738     -0.12643145
+H      4.65577020      0.46378102     -2.21643498
+H      6.81675862     -0.62394903     -0.22099684
+H      6.81867670     -0.81287876     -2.06586133 
+
+14
+-1478.0394584162254 10.090858 11.64875 -10.5481 -8.38 -11.802 0.8194 -0.1675 1.386 11.41455 -1.04646 5.3828025956 11.1680265514 0.342104273
+N      1.09140037      0.05433908     -0.62046433
+C      2.24961835     -0.04836902     -0.52724121
+C      3.69861653     -0.15105490     -0.39440144
+C      4.28033994      0.89950909      0.57537031
+C      5.77933922      0.77177280      0.67625708
+C      6.49331416      0.94625001      1.95161048
+O      6.27491667     -0.37139047      1.40740778
+H      4.14565317     -0.04214908     -1.39565889
+H      3.94977840     -1.16203388     -0.03794117
+H      3.83012097      0.76765631      1.56974259
+H      4.02143759      1.91107500      0.22520276
+H      6.33797943      0.97389317     -0.24802387
+H      5.91980521      1.17670692      2.85588385
+H      7.53426000      1.28527498      1.94797606 
+
+12
+-1335.6206094384784 11.045347 11.55838 -10.0231 -7.9899 -9.876 -0.2748 -1.9824 -0.466 9.40933 0.95366 5.0106958124 5.2229846416 0.315412634
+N      0.86740582      0.06824186     -0.01906263
+C      2.02774402      0.13198431      0.12058763
+C      3.43283957      0.18876269      0.32446096
+C      4.29001692      0.70287357     -0.58246785
+C      5.74408133      0.73455034     -0.38116605
+C      6.66988315      0.63823970     -1.53624559
+O      6.43241302      1.89974509     -0.90444677
+H      3.79712057     -0.21787313      1.27192306
+H      3.91363238      1.12629340     -1.51764111
+H      6.11238241      0.39297736      0.59317531
+H      6.25851979      0.53077758     -2.54565867
+H      7.66110102      0.20345722     -1.37019829 
+
+10
+-1175.7082668896371 10.942485 11.7116 -10.5035 -8.3606 -10.101 -0.155 -1.9693 -0.144 9.66716 0.45496 3.5779135964 7.841556563 1.242805408
+N      0.93886228      0.05671995     -0.06174505
+C      2.11297189      0.02285175     -0.05045365
+C      3.47502330     -0.02049435     -0.03434587
+C      4.69520996     -0.06264594     -0.02596792
+C      6.12610850     -0.11160754      0.02162744
+C      6.90392473     -0.80705991     -1.03520826
+O      6.84582519      0.62270639     -0.99858052
+H      6.56282694     -0.04434655      1.02438675
+H      6.36365672     -1.27965686     -1.86051246
+H      7.86552048     -1.25012694     -0.75718046 
+
+16
+-1597.0478984271895 11.16325 12.09251 -9.3464 -7.1465 -9.78 1.3739 -0.2267 1.079 9.25495 -0.51266 6.6738812122 6.6738812122 0.445477932
+N      1.48519867     -0.03903723      0.58812393
+C      2.65331458     -0.11311052     -0.29778536
+C      2.21719062     -0.46053443     -1.69812761
+C      2.74390235     -1.44554965     -2.43359724
+C      3.36841887      1.23683241     -0.31141864
+C      2.66267925      2.51321868     -0.11720751
+O      3.45764329      1.93316161      0.94825578
+H      1.79396103      0.28871726      1.50826867
+H      1.08752426     -0.97182554      0.70860502
+H      3.40883646     -0.86158567      0.02507076
+H      1.41222344      0.16472336     -2.09931712
+H      3.53758550     -2.08709883     -2.04114296
+H      2.40178782     -1.64598477     -3.44996192
+H      4.29728809      1.24077251     -0.89425935
+H      1.58367057      2.49557331      0.05760438
+H      3.07966520      3.42639751     -0.55376082 
+
+14
+-1436.7780487689254 10.713946 11.91525 -9.7067 -7.4487 -9.825 0.8163 -0.2813 2.184 9.43696 -1.81608 4.393877861 11.1405388552 0.32402312
+N      1.12905962      0.27771188     -0.05407401
+C      2.56741796     -0.06458881     -0.06184286
+C      2.88720044     -0.86288788     -1.24589416
+C      3.14981201     -1.52761425     -2.22589694
+C      3.36080235      1.24142295     -0.05746028
+C      3.76515213      1.86540698      1.21316410
+O      4.72228696      1.17057922      0.38809684
+H      0.85567563      0.56482095      0.88874261
+H      0.57931321     -0.55122894     -0.28901251
+H      2.89787851     -0.64507407      0.82495505
+H      3.38520089     -2.11084887     -3.09267998
+H      3.18395784      1.87819453     -0.93160740
+H      3.52329633      1.36757581      2.15977763
+H      3.89213611      2.95148050      1.26544191 
+
+16
+-1598.5844366489246 11.82923 12.8634 -9.2957 -7.0941 -9.298 1.0566 -0.3523 1.051 8.79902 -0.43069 6.2313379824 6.2313379824 0.451529605
+N      2.31925552     -0.78050090     -1.46433626
+C      2.82943264     -0.33060894     -0.15816420
+C      2.87161161      1.16770938     -0.10762450
+C      3.94929789      1.88897194      0.23688567
+C      3.96299297      3.36082595      0.30290060
+C      4.87053482      4.09058576      1.21478302
+O      5.16637754      4.02147692     -0.18681974
+H      2.21517215     -1.79755485     -1.46829388
+H      2.99878074     -0.55180617     -2.19469813
+H      3.82534853     -0.73341201      0.11628354
+H      2.11947833     -0.69209580      0.60714734
+H      1.94153252      1.67548193     -0.38855592
+H      4.89144022      1.38765064      0.48811301
+H      3.03356902      3.86403441      0.00885999
+H      5.54339103      3.52045170      1.86549627
+H      4.57155448      5.07688004      1.58677316 
+
+16
+-1597.4547046854807 11.162657 12.08112 -9.3492 -7.1458 -9.278 1.0197 -0.2777 1.225 8.67721 -0.59526 6.3379039494 6.3379039494 0.407963491
+N      2.26864608     -0.45915836      1.45061783
+C      2.12606951      0.03160654      0.06738703
+C      2.86347379      1.34052088     -0.10989635
+C      2.23786840      2.48336784     -0.42633880
+C      4.33885860      1.27762072      0.10418137
+C      5.29092722      1.48101869     -1.01320304
+O      5.09270355      2.49952195     -0.01851093
+H      1.85189349     -1.38864842      1.53602438
+H      1.75012086      0.15505178      2.08393264
+H      1.07979675      0.16981775     -0.26746509
+H      2.57640886     -0.72924206     -0.59419317
+H      1.15879987      2.50694897     -0.58830784
+H      2.79641710      3.41471996     -0.52922328
+H      4.65591743      0.62635819      0.92679375
+H      4.88762236      1.71504465     -2.00462895
+H      6.26863613      0.98686092     -0.98989955 
+
+14
+-1440.07894742768 11.375074 13.00733 -9.4499 -7.2201 -9.456 0.8505 -0.2826 2.031 9.04143 -1.56353 4.1662519636 10.2716449672 0.476984289
+N      1.30928953     -0.31935797      0.63256519
+C      2.33809424      0.02537990     -0.36766773
+C      2.74697671      1.42117501     -0.26170221
+C      3.06460987      2.59462222     -0.20999039
+C      3.44610417      3.97335580     -0.08480845
+C      4.35159548      4.62509147     -1.05980693
+O      2.94763017      4.91299793     -1.08043453
+H      1.01118039     -1.28619344      0.48133695
+H      0.48436389      0.26725264      0.48231588
+H      2.03540234     -0.15646002     -1.41974122
+H      3.21624145     -0.61713035     -0.18388784
+H      3.43378250      4.37400030      0.93547256
+H      4.72238212      4.03422730     -1.90336945
+H      4.99750714      5.43998921     -0.71508183 
+
+20
+-1889.7289207903868 12.074877 13.9244 -9.2921 -6.9506 -10.66 0.929 -0.0463 2.988 10.01288 -2.77173 8.751427824 9.785161099 0.09642057
+N      1.24669929     -0.23031343      0.87729958
+C      2.52736089      0.46420483      1.08488493
+C      2.92032253      1.25890333     -0.16011792
+C      4.27293591      1.96379181     -0.02530126
+C      4.65503007      2.77516127     -1.26639473
+C      6.00011913      3.47164973     -1.12449369
+O      6.25448594      4.20816411     -2.33021617
+H      0.49595018      0.45843348      0.77387923
+H      1.01040424     -0.78213294      1.70515528
+H      3.29430535     -0.30449304      1.27919886
+H      2.53327423      1.14489614      1.96243876
+H      2.13759488      2.01077924     -0.36962360
+H      2.93100447      0.57455828     -1.02432521
+H      5.05517060      1.21013846      0.17672322
+H      4.25299752      2.62882689      0.85668407
+H      3.88606842      3.53868496     -1.47085500
+H      4.69081016      2.11938422     -2.15199462
+H      6.79479840      2.72074627     -0.94914385
+H      5.98078363      4.14925003     -0.24877699
+H      7.11668416      4.64650635     -2.23821088 
+
+14
+-1490.7767915457707 12.469221 11.86792 -7.9984 -6.1676 -8.428 0.2468 -1.3092 -0.583 7.89535 1.40244 3.5579146546 4.0562143886 0.322312711
+N      1.28783468     -0.67285467      0.64423326
+C      2.56934272     -0.36684494      0.33102456
+C      3.05223333      0.86759601     -0.03500866
+C      2.21758761      2.06710469     -0.05321729
+C      2.39861684      3.16079947     -0.81892469
+C      4.48797300      0.93980192     -0.34130626
+O      5.26330014     -0.01523389     -0.38917587
+H      1.02371636     -1.62845839      0.84627340
+H      0.53869850     -0.00612537      0.49327955
+H      3.28449440     -1.19227572      0.38151156
+H      1.38057508      2.08630540      0.65783397
+H      3.19042483      3.22397772     -1.56720206
+H      1.74815502      4.02931214     -0.71508003
+H      4.86530749      1.97753563     -0.51602143 
+
+14
+-1490.4319945738866 12.997914 11.99136 -8.4473 -6.6965 -8.928 -0.4298 -2.0139 -1.109 8.2815 1.73813 3.4306802214 4.1716205574 0.6933974
+N      1.16429557     -0.08265760      0.21318273
+C      2.52920682      0.02304859      0.05192482
+C      3.26181725     -1.23857215     -0.12358816
+C      2.76703611     -2.46167143      0.13400992
+C      3.15126603      1.25192802      0.10681944
+C      4.57716598      1.48379409      0.07595033
+O      5.09175497      2.60422277      0.11291404
+H      0.63198004      0.78218113      0.20427310
+H      0.70140964     -0.86683451     -0.23658409
+H      4.28093901     -1.15048407     -0.49931744
+H      1.77271670     -2.61895535      0.55591561
+H      3.37001859     -3.35249176     -0.04048936
+H      2.53791300      2.15325615      0.19833315
+H      5.23199030      0.57910612      0.01327591 
+
+18
+-1748.9754019724899 11.953002 12.96349 -9.2688 -7.0276 -9.084 0.8122 -0.1709 1.32 8.57263 -0.69235 6.2460675192 6.2460675192 0.391060783
+N      3.78523324     -1.12528974     -0.23156338
+C      2.61569905     -0.24672582     -0.14309892
+C      2.97478018      1.20902219     -0.02361877
+C      4.21700793      1.71600807     -0.03646559
+C      4.54190792      3.17940470      0.04843645
+C      5.03892426      3.72043635     -1.30230344
+O      4.05144519      3.61510979     -2.32744933
+H      3.48438344     -2.08350035     -0.41591573
+H      4.27271227     -1.14334957      0.66822531
+H      1.92526739     -0.49312077      0.69260958
+H      2.01780581     -0.38544606     -1.06181298
+H      2.12294646      1.88650229      0.11156622
+H      5.05802980      1.02898525     -0.18598875
+H      5.33165013      3.35379902      0.79960695
+H      3.65396973      3.75387001      0.35624724
+H      5.96890267      3.19359657     -1.59398352
+H      5.27423415      4.79153126     -1.21671494
+H      3.71752039      2.69790682     -2.29370641 
+
+18
+-1751.7999976718904 11.840498 12.47051 -9.1744 -7.0023 -9.385 0.7954 -0.4695 1.228 8.75418 -0.59342 6.4095678574 6.4095678574 0.403385651
+N      2.62059932     -0.47789703      1.42238893
+C      2.34796666      0.08903167      0.07938762
+C      2.72352487      1.55645611      0.01281639
+C      1.75092323      2.48160222     -0.04579617
+C      4.18680825      1.93855355     -0.00733924
+C      4.96015701      1.76889863      1.32047477
+O      5.23775447      0.42568019      1.67339655
+H      2.44712954     -1.48607732      1.42094230
+H      1.97617122     -0.06605641      2.10292595
+H      1.29210505     -0.02638809     -0.22350734
+H      2.96304521     -0.47708317     -0.63918414
+H      0.69510171      2.20037427     -0.04260134
+H      1.97876008      3.54769966     -0.10946031
+H      4.26349608      2.99719483     -0.30385299
+H      4.71504191      1.34433200     -0.77321910
+H      4.40684105      2.29920862      2.12310454
+H      5.93459710      2.27109275      1.21142112
+H      4.35265728     -0.02746250      1.73799245 
+
+16
+-1593.0203398990034 11.84326 13.58682 -9.3207 -7.0388 -9.325 0.8601 -0.1758 2.257 8.91951 -1.88023 4.1674298306 10.2771251484 0.759800196
+N      0.96637975     -0.05150985      0.02688745
+C      2.44306281     -0.02182297     -0.02259393
+C      2.95350527      1.34641354      0.00035313
+C      3.39580077      2.47945656     -0.00812903
+C      3.87008903      3.85708132      0.00954195
+C      2.70813185      4.87179277     -0.00367347
+O      3.16889434      6.22345568     -0.02706923
+H      0.65189781     -1.02109819     -0.06352179
+H      0.59548675      0.45007270     -0.78460842
+H      2.87856555     -0.53762815     -0.90346143
+H      2.81797841     -0.55747133      0.86644202
+H      4.51963484      4.05731875     -0.85830937
+H      4.48577537      4.02510379      0.91113268
+H      2.04075684      4.68184488      0.85475976
+H      2.11692512      4.73933936     -0.92064937
+H      3.54415550      6.42894113      0.84678902 
+
+18
+-1747.9266419098597 12.252973 13.44232 -9.452 -7.1363 -9.364 1.1726 -0.1714 1.185 8.82439 -0.5642 6.361597674 6.361597674 0.411635993
+N      0.82778372     -0.02413214      0.20116432
+C      2.28273556     -0.11895470      0.01091159
+C      2.89098405      1.27912194     -0.17614306
+C      4.38846564      1.25711895     -0.23911414
+C      5.13325689      1.66408478     -1.27813236
+C      6.62989180      1.61215246     -1.31295078
+O      7.12309281      0.77639704     -2.37827682
+H      0.44016695     -0.95251037      0.38377762
+H      0.38610625      0.30005246     -0.66385090
+H      2.59127621     -0.75679252     -0.84228011
+H      2.70871566     -0.57701234      0.91905917
+H      2.55523113      1.90220538      0.67069550
+H      2.48593301      1.73989432     -1.09306059
+H      4.90407561      0.87258645      0.65179974
+H      4.64417507      2.04501425     -2.18284206
+H      7.02299700      1.28208867     -0.33300547
+H      7.05134878      2.60757893     -1.52364463
+H      6.69101386     -0.09091357     -2.27682701 
+
+18
+-1750.4095022786141 11.841692 12.50509 -9.1699 -7.0647 -9.338 0.7175 -0.4265 1.326 8.72656 -0.69352 6.4618031592 6.4618031592 0.420452197
+N      1.93541706     -0.35287584      1.68725686
+C      2.08613922     -0.10400883      0.23921986
+C      3.37444881      0.67645019     -0.08320935
+C      4.67775478     -0.08718631      0.04899974
+C      5.36904166     -0.45339248     -1.04170148
+C      5.20696524     -0.39877030      1.43647339
+O      4.47468419     -1.40488874      2.13178902
+H      1.13751990     -0.96801986      1.86078365
+H      1.73693470      0.52477731      2.17574149
+H      1.22864403      0.45224497     -0.18270517
+H      2.12315485     -1.08169421     -0.26406104
+H      3.40598500      1.57594953      0.56020166
+H      3.28406622      1.04067178     -1.11828667
+H      5.02056434     -0.22050697     -2.05150019
+H      6.31021080     -1.00051788     -0.95729494
+H      5.23886443      0.54607646      2.02226237
+H      6.24130304     -0.76453252      1.35499123
+H      3.52565173     -1.10021629      2.14532956 
+
+16
+-1593.1271106765473 11.909683 13.69484 -9.4993 -7.2335 -9.422 0.8325 -0.2255 2.215 9.00372 -1.75398 4.1633630898 9.8065858798 0.315771408
+N      0.92116092      0.02997335     -0.00557908
+C      2.38779912     -0.02468840     -0.02965383
+C      2.96017028      1.40623771     -0.00787594
+C      4.41706992      1.43250087     -0.00181416
+C      5.63429657      1.42123160      0.01746356
+C      7.09387328      1.46360745     -0.00187741
+O      7.63158691      2.79697234     -0.01111719
+H      0.53925914     -0.90697371      0.13655129
+H      0.56579081      0.34834611     -0.91110357
+H      2.81737671     -0.56462439     -0.89573706
+H      2.72571619     -0.55095735      0.87565809
+H      2.56044728      1.92895608      0.87621709
+H      2.58701583      1.95628819     -0.89008714
+H      7.46626197      0.88494637     -0.86908277
+H      7.50317467      0.98855816      0.90328744
+H      7.13025041      3.30055561     -0.67727936 
+
+15
+-1460.5738192197102 11.55334 11.93049 -9.5896 -7.4278 -9.82 0.9449 -0.7369 0.263 9.28044 0.29952 5.517562979 6.1306365532 0.290235504
+N      1.02788178      0.11151196      0.15227895
+C      2.47485163      0.15922748     -0.14543502
+C      2.72380015     -0.55372734     -1.45364962
+C      3.58637580     -1.56341687     -1.60611673
+C      2.87131715      1.60840194     -0.27117504
+N      3.75293708      2.08230327      0.52822737
+O      3.99913654      3.45244404      0.26383659
+H      0.85431427      0.53206229      1.06883772
+H      0.72714528     -0.86504109      0.20723297
+H      3.11887424     -0.29210368      0.63345221
+H      2.12725261     -0.19864556     -2.30115708
+H      4.18327938     -1.93393070     -0.76890457
+H      3.72984286     -2.04873136     -2.57245953
+H      2.38048297      2.22726548     -1.03491923
+H      4.67226825      3.66742014      0.93466100 
+
+15
+-1516.542859952404 10.772326 11.24256 -9.1129 -7.0788 -9.72 0.9815 -0.331 0.306 9.5135 0.25281 4.325747554 6.2395086598 0.27375452
+N      1.24828235      0.16567850      0.30179878
+C      2.67150994      0.10085432     -0.05021668
+C      2.89908190      0.01302146     -1.53894899
+C      1.95373004      0.05980581     -2.48391735
+C      3.44592175      1.35253611      0.45319400
+N      2.64415486      2.41290721      0.74147318
+O      4.66998465      1.34614382      0.55399710
+H      1.13014698     -0.06301116      1.29107134
+H      0.73345865     -0.54619919     -0.22249431
+H      3.20684275     -0.75035853      0.41392480
+H      3.95203262     -0.08318469     -1.81611221
+H      0.89515127      0.18729811     -2.25009803
+H      2.21854764     -0.01150935     -3.53906426
+H      1.64818640      2.32739039      0.54670583
+H      3.06918820      3.30517721      0.96867678 
+
+13
+-1356.7359978061584 10.359058 11.01535 -9.2328 -7.1745 -9.953 0.7387 -0.4164 0.396 9.61063 0.22465 4.2950982148 11.2089791272 0.24833303
+N      1.08711582      0.25273933     -0.37705633
+C      2.51827169      0.01703508     -0.07048716
+C      3.08716381     -0.94011295     -1.01306087
+C      3.53513994     -1.73780956     -1.80962426
+C      3.34559400      1.34678208     -0.12988047
+N      2.75036292      2.30543073     -0.88335177
+O      4.41712849      1.45363641      0.45445124
+H      0.58844258      0.48766291      0.48436160
+H      0.67006229     -0.60718013     -0.73878259
+H      2.68994909     -0.36653815      0.95193724
+H      3.94812261     -2.43853254     -2.50630531
+H      1.82474329      2.10799262     -1.26109438
+H      3.20194348      3.20638417     -0.99228694 
+
+15
+-1467.1403205205056 12.727151 12.54129 -8.6444 -6.7394 -9.204 0.4308 -1.2163 -0.408 8.63616 0.96569 5.0678781556 5.0678781556 0.613053204
+N      2.00856453     -0.78118030     -1.01058743
+C      3.15455851     -0.33056745     -0.20199593
+C      3.03002524      1.13003876      0.10453058
+C      3.99590658      2.04302653     -0.12767318
+C      3.85557664      3.44694062      0.18332808
+N      4.83328273      4.25585606     -0.06513566
+O      4.49242747      5.57467454      0.30593908
+H      2.04425137     -1.79543025     -1.13288099
+H      2.06545973     -0.36971256     -1.94559216
+H      4.14825519     -0.52817388     -0.65158279
+H      3.11838045     -0.89484847      0.74735480
+H      2.07124732      1.44513091      0.53137439
+H      4.94945823      1.73871137     -0.57087316
+H      2.91962167      3.81707096      0.62520533
+H      5.30067434      6.06540315      0.07066903 
+
+15
+-1518.2248021338603 11.293898 11.85004 -9.3445 -7.258 -9.875 0.7268 -0.9466 -0.198 9.36474 0.77348 4.1408720294 5.4692952292 0.390160121
+N      3.80453479     -0.93465906      0.80848719
+C      2.75625412     -0.20370567      0.09152068
+C      3.06702717      1.24672742     -0.10309276
+C      4.21918935      1.85177080      0.22170990
+C      4.40292927      3.31087154     -0.02131985
+N      5.65522333      3.78578893      0.31466176
+O      3.52275879      4.05576088     -0.45601480
+H      3.59894123     -1.93500884      0.79618312
+H      3.80955326     -0.65361547      1.79278696
+H      1.75030266     -0.27041497      0.55911884
+H      2.63774038     -0.66308506     -0.90689267
+H      2.27674967      1.86621815     -0.54098678
+H      5.04141358      1.27010597      0.64736685
+H      6.42638484      3.14802370      0.47951118
+H      5.87423755      4.73917167      0.04188039 
+
+15
+-1466.2026050562215 11.849228 11.82606 -8.7364 -6.832 -9.363 0.5194 -1.1612 -0.444 8.75172 0.97537 5.1492377688 5.1492377688 0.324153796
+N      1.11585363     -0.05346853     -0.18851552
+C      2.55839874      0.18587872     -0.06829360
+C      2.89812273      1.65669128      0.05866864
+C      1.95892565      2.61843463      0.17588964
+C      4.30654415      2.03192265      0.05844916
+N      5.22905265      1.13372840     -0.03374536
+O      6.50919260      1.73057222      0.00124388
+H      0.92875967     -1.05088696     -0.07411313
+H      0.80075510      0.18937417     -1.13147131
+H      3.16286413     -0.23064914     -0.89646740
+H      2.91911576     -0.32500674      0.83984464
+H      0.90140843      2.35904315      0.20520065
+H      2.24117764      3.66860545      0.26468622
+H      4.56859284      3.09561355      0.14867512
+H      7.09515627      0.95582715     -0.07433164 
+
+15
+-1516.0976954616278 10.82584 11.40617 -9.3026 -7.0941 -9.885 0.6816 -1.0153 -0.273 9.57238 0.77631 4.1047053132 5.4841239548 0.273486482
+N      1.63422897     -0.30276906      0.92140257
+C      2.86088036      0.05173320      0.20208680
+C      2.94013572      1.52540767     -0.12596792
+C      2.03364721      2.42358467      0.29221719
+C      4.07822135      1.89599887     -1.03978230
+N      4.56334290      3.17733346     -0.90636265
+O      4.53367680      1.10752743     -1.87116564
+H      1.71075564     -1.25825719      1.27324872
+H      0.84187940     -0.29864564      0.27327256
+H      3.02583246     -0.49522870     -0.74492065
+H      3.72219722     -0.20573306      0.84302605
+H      1.21284889      2.10764417      0.93806367
+H      2.07372346      3.46930258     -0.01468047
+H      4.38625201      3.70299593     -0.05733423
+H      5.39644762      3.40215567     -1.44227368 
+
+15
+-1464.6435513291117 11.618318 11.57155 -8.8911 -6.8678 -9.485 0.3185 -1.3047 -0.378 8.92138 0.9077 5.0706182462 5.3101096038 0.56287409
+N      1.24668493     -0.20712518     -0.77971049
+C      2.20617277      0.13889538      0.28686032
+C      2.87330445      1.47362782      0.02857703
+C      2.13401673      2.73361638      0.05348275
+C      0.79564908      2.82950747      0.15218882
+N      4.15602669      1.37327871     -0.16718472
+O      4.77417472      2.62605534     -0.39525383
+H      0.83163928     -1.11889072     -0.57366285
+H      1.75347507     -0.31719518     -1.66230898
+H      3.01503931     -0.59919505      0.43359784
+H      1.64373341      0.20765170      1.23296435
+H      2.74186426      3.63789573     -0.00525521
+H      0.15680897      1.94549300      0.15825347
+H      0.31210076      3.80648272      0.19257871
+H      5.70574956      2.36234188     -0.49078722 
+
+13
+-1306.6411778542197 12.115964 12.66644 -8.9522 -6.8777 -9.362 0.4354 -1.2523 -0.237 8.85193 0.79246 3.7172738604 9.2647546612 0.36618843
+N      0.98061389     -0.03074846      0.04808182
+C      2.45322504     -0.03429915     -0.02334227
+C      2.99868896      1.31656291      0.01928109
+C      3.44279300      2.45222210      0.01389912
+C      4.04893818      3.72809684      0.02458919
+N      3.32937941      4.80365773     -0.04610708
+O      4.16158599      5.93979200     -0.01797768
+H      0.64009367     -0.98876094     -0.06284747
+H      0.60476664      0.50779777     -0.73656166
+H      2.87065782     -0.53668045     -0.92157884
+H      2.83459339     -0.59628029      0.84703565
+H      5.14415251      3.79138640      0.09357920
+H      3.51229152      6.66477354     -0.06983107 
+
+13
+-1357.553845114198 11.087007 12.22631 -9.7033 -7.4405 -10.095 0.7593 -0.96 -0.155 9.54092 0.72508 3.751320416 10.7499457594 0.459303403
+N      1.00896767     -0.01848924      0.21743678
+C      2.44515493     -0.05210223     -0.11000316
+C      3.03068953      1.28248484     -0.09109153
+C      3.49869320      2.40607937     -0.12379994
+C      3.96144548      3.78393368     -0.16903493
+N      5.29824301      3.94284925      0.10910853
+O      3.21509222      4.71861871     -0.45707542
+H      0.61738045     -0.95544382      0.09673400
+H      0.52321544      0.59291119     -0.44360272
+H      2.68621885     -0.49933945     -1.09746422
+H      2.95387390     -0.67730800      0.64360197
+H      5.84129642      3.17628790      0.49119900
+H      5.64772889      4.89203781      0.20003165 
+
+17
+-1604.5139175817553 11.454365 12.23714 -9.2831 -7.0765 -10.538 1.1234 -0.2336 0.544 10.07069 0.05874 5.5182696992 6.6187570366 0.175165845
+N      2.69599752     -0.19444812      1.95014345
+C      2.47674361     -0.28860949      0.49776650
+C      3.10591432      0.90198135     -0.23361739
+C      4.62691771      1.06177151     -0.02990645
+C      5.43327377     -0.04775889     -0.62687330
+N      6.22927584      0.19915317     -1.60157700
+O      6.89889773     -0.98334288     -2.02478112
+H      2.35711374     -1.04040244      2.41254524
+H      2.14578250      0.57929058      2.33389486
+H      1.40819721     -0.34670443      0.20810809
+H      2.94083758     -1.22658172      0.15215167
+H      2.61495396      1.82889595      0.11107708
+H      2.88418728      0.81664470     -1.30960612
+H      4.82673287      1.09720780      1.05360040
+H      4.96312276      2.00994205     -0.47288240
+H      5.34611031     -1.06862238     -0.22765312
+H      7.46018130     -0.64366676     -2.74477039 
+
+17
+-1660.4764183801124 10.758832 11.51125 -9.0011 -6.9754 -10.618 0.6299 -0.3913 0.622 9.58908 0.01638 4.3348853222 12.2392035984 0.174469306
+N      1.64121944     -2.09693607     -0.54568901
+C      1.53007106     -0.82230555      0.19672284
+C      2.66569793      0.14572028     -0.15213825
+C      4.08662010     -0.45461082     -0.11878363
+C      4.43029099     -1.12269942      1.21353083
+N      4.05903161     -2.44297224      1.28219573
+O      5.00219775     -0.53085893      2.12929062
+H      0.82303425     -2.67904310     -0.35017813
+H      1.61831181     -1.91480126     -1.55363427
+H      1.57621583     -1.06757475      1.26992787
+H      0.56726111     -0.30326448      0.02982556
+H      2.61144550      0.99600894      0.54538958
+H      2.49532156      0.56105788     -1.16037280
+H      4.81877547      0.34853221     -0.27245605
+H      4.20155550     -1.18333359     -0.93445202
+H      3.35476517     -2.77257807      0.61285623
+H      4.12481493     -2.88770104      2.19397491 
+
+14
+-1448.2670899333837 10.042719 10.61604 -9.6782 -7.5797 -10.075 0.8402 -0.8536 -0.053 9.58339 0.61219 4.260530918 6.1896538892 0.252964229
+N      1.41951873      0.45267371      0.62602278
+C      2.47873181     -0.03866291     -0.28782055
+C      2.15975836      0.35592105     -1.70459396
+C      2.18642336     -0.48299453     -2.74412352
+C      3.82658960      0.62245816      0.12636928
+O      3.65519829      1.72300921      0.88982015
+O      4.90752761      0.20083884     -0.22102964
+H      1.33984872     -0.15501302      1.44463636
+H      0.51062360      0.44944458      0.15859404
+H      2.63482155     -1.12837468     -0.23903266
+H      1.91703982      1.41394475     -1.85523479
+H      2.44341711     -1.53728668     -2.62216736
+H      1.96756473     -0.13666301     -3.75466644
+H      2.66443672      1.74603452      1.04186629 
+
+12
+-1289.2638722588838 9.547172 10.2674 -9.8332 -7.717 -10.277 0.544 -0.7229 0.078 10.24755 0.57202 4.2637049596 11.1406752398 0.235198184
+N      1.08249167      0.30955702     -0.28857943
+C      2.53757712      0.08886122     -0.09786592
+C      3.10121853     -0.94690924     -0.95339737
+C      3.50831561     -1.80974392     -1.70246463
+C      3.29125208      1.45656984     -0.25806777
+O      2.44179075      2.49910020     -0.28801029
+O      4.49555522      1.54872197     -0.29480586
+H      0.53869969     -0.27712029      0.34661256
+H      0.81831056      0.04189428     -1.24042067
+H      2.70507687     -0.18350594      0.95824831
+H      3.89051187     -2.56675091     -2.35674592
+H      1.53649003      2.06653575     -0.24595302 
+
+14
+-1446.493051311951 10.561808 11.19937 -10.0016 -7.7444 -10.37 0.0804 -1.682 -0.736 9.86393 1.25122 4.0755314074 5.5677401132 0.481841586
+N      1.96735665     -0.64028538     -1.12713349
+C      2.99800929     -0.29214559     -0.13932306
+C      3.10856002      1.19978122     -0.02410250
+C      4.26035624      1.88852813     -0.07124631
+C      4.41662703      3.35614232      0.11031055
+O      3.30480640      4.14212756     -0.05482847
+O      5.48057946      3.86713642      0.39909400
+H      1.74534627     -1.63567564     -1.07135991
+H      2.31529044     -0.46692997     -2.07290294
+H      3.99930735     -0.72433912     -0.32989496
+H      2.66276353     -0.68485267      0.83655598
+H      2.14447113      1.70450838      0.11807912
+H      5.21353397      1.36543768     -0.18194187
+H      2.56412223      3.58814666     -0.36796616 
+
+14
+-1452.3825145969922 10.048267 10.51019 -9.5899 -7.5647 -10.256 0.3871 -1.3424 -0.442 9.74828 0.94778 4.1147729764 5.654877474 0.291193153
+N      3.30998942     -0.84000507      0.64103621
+C      2.45532782      0.03225898     -0.19911562
+C      2.91766253      1.47230638     -0.13327462
+C      2.06979160      2.48035251      0.11586299
+C      4.37794899      1.80199943     -0.39961093
+O      5.24085990      0.77254534     -0.24797701
+O      4.75328121      2.91287178     -0.72607931
+H      3.14204814     -1.82616180      0.43356136
+H      3.10431443     -0.69493468      1.63293208
+H      1.38396987     -0.02311581      0.05826218
+H      2.56129438     -0.32694070     -1.23622523
+H      1.01278150      2.29909494      0.32022181
+H      2.42971683      3.50959028      0.10362212
+H      4.72439337     -0.01306157      0.13036394 
+
+12
+-1287.26736766295 10.281263 11.38902 -10.0466 -7.756 -10.456 0.3452 -1.48 -0.596 10.12896 1.14404 3.7033874284 11.5821273928 0.553145329
+N      0.98780548     -0.03675805      0.13557039
+C      2.44464194     -0.03199788     -0.06958828
+C      2.98835392      1.31906874     -0.03712285
+C      3.42177781      2.45745332     -0.05456704
+C      3.88878056      3.82439875     -0.06946836
+O      5.23039682      3.97327488      0.17641379
+O      3.18307273      4.78696791     -0.28090324
+H      0.64162295     -0.99497332      0.04998401
+H      0.53445633      0.50983360     -0.60089725
+H      2.78731661     -0.49502784     -1.01925749
+H      2.90904334     -0.61790925      0.74177235
+H      5.61610152      3.08746913      0.32770396 
+
+16
+-1595.015513341749 10.070732 10.94866 -9.286 -7.1856 -10.909 0.4567 -0.5823 0.437 9.91928 0.19231 4.3146012126 11.7127590424 0.160206977
+N      2.77244388     -1.06349966      1.09316409
+C      2.39765925     -0.20058398     -0.05077231
+C      2.93564460      1.22307342      0.11502368
+C      4.46926168      1.37596853      0.03213816
+C      5.30054728      1.15799180      1.30483599
+O      5.03380552      0.06002805      2.03880884
+O      6.18910484      1.92956309      1.62138228
+H      2.68519755     -2.05269272      0.85066283
+H      2.14011975     -0.89988439      1.88172781
+H      1.30459329     -0.16802178     -0.20390901
+H      2.83603648     -0.64712008     -0.95700400
+H      2.55958314      1.65747629      1.05717384
+H      2.49215948      1.82997530     -0.69001799
+H      4.72115689      2.39045087     -0.30092826
+H      4.86515049      0.68891149     -0.73679573
+H      4.24373588     -0.45304621      1.65257978 
+
+15
+-1510.6129977060257 12.056825 12.30648 -8.6921 -6.7265 -9.068 1.0837 -0.5289 0.048 8.59773 0.58631 4.289853607 5.1231387158 0.434026638
+N      1.48165950     -0.29014695     -0.99991777
+C      2.55273828     -0.12362792     -0.00207198
+C      2.94500859      1.31897922      0.10404555
+C      4.20083242      1.75622899     -0.08365086
+N      4.61295332      3.08701516      0.00955284
+C      5.90251538      3.52806055     -0.18075620
+O      6.25124781      4.69683256     -0.09839604
+H      1.15434045     -1.25886752     -1.00651439
+H      1.84896536     -0.09448173     -1.93472758
+H      3.46027890     -0.73417825     -0.18907457
+H      2.14231258     -0.46192369      0.96568827
+H      2.13931605      2.02632348      0.32567321
+H      5.01147756      1.06238665     -0.32363679
+H      3.92575690      3.80777639      0.23455213
+H      6.59918691      2.69186305     -0.42016582 
+
+15
+-1509.6912291854626 11.443608 11.53944 -8.6389 -6.7294 -9.216 0.8884 -0.6421 0.026 8.61265 0.5598 4.2443135492 5.2608747632 0.403932407
+N      2.85861592     -0.53071454      1.27285219
+C      2.38293175      0.10978365      0.03510105
+C      2.80736188      1.55892910     -0.05013382
+C      1.89687639      2.55258580     -0.07961641
+N      4.18008195      1.84316949     -0.11991987
+C      5.25203771      0.97245862     -0.09838895
+O      6.41016480      1.35477993     -0.21625560
+H      2.56898435     -1.51085763      1.28628267
+H      2.42034222     -0.08296899      2.08157627
+H      1.28618405      0.09114774     -0.09727249
+H      2.81411218     -0.44443910     -0.81632090
+H      0.83426579      2.32353868     -0.03899178
+H      2.18674987      3.60144026     -0.15526047
+H      4.44956230      2.82436662     -0.21021666
+H      4.96081883     -0.08311962      0.05716477 
+
+19
+-1766.1306201317684 11.207922 12.09469 -9.287 -7.0762 -10.523 0.77 -0.2445 2.884 9.98941 -2.57521 8.5986398762 12.5564713738 0.103501413
+N      1.05102631     -0.06378056      0.28362748
+C      2.51866755     -0.11859946      0.16130525
+C      3.16980407      1.26722643      0.31867572
+C      2.58025478      2.08167678      1.48447255
+N      2.74921639      1.36337228      2.77012019
+C      4.69818900      1.13137763      0.45033322
+O      5.10399422      0.39417016      1.60104347
+H      0.66686565     -1.00931336      0.22339517
+H      0.65154824      0.45090561     -0.50684140
+H      2.87547778     -0.55425630     -0.79359233
+H      2.89868900     -0.77605083      0.95848778
+H      2.97723094      1.85327856     -0.60094998
+H      1.52368310      2.32226561      1.27414306
+H      3.13224615      3.03283388      1.55599072
+H      2.04626124      0.61847590      2.81356051
+H      2.54447290      1.99329565      3.54893063
+H      5.13997948      2.14995034      0.45519720
+H      5.10804461      0.60677914     -0.43005222
+H      4.47187859      0.66577254      2.31499297 
+
+19
+-1766.2203241680365 11.419533 12.58623 -9.4274 -7.1397 -10.626 0.7733 -0.2105 2.823 10.02581 -2.53466 8.4685041706 12.742599157 0.113377188
+N      1.67798602      2.42158761     -1.81865058
+C      2.51258678      2.60957543     -0.62227734
+C      3.86270197      1.91003222     -0.80533064
+C      4.80038346      1.98306224      0.40858339
+N      6.04320563      1.19438576      0.26356108
+C      5.23857553      3.41613178      0.75245198
+O      6.15354833      3.41852784      1.83990779
+H      0.79965819      2.93484833     -1.71624946
+H      1.42125523      1.43457427     -1.90944159
+H      2.04513039      2.24611778      0.31749437
+H      2.66641670      3.69299121     -0.49867633
+H      4.36522164      2.33366431     -1.69239569
+H      3.67754654      0.84461072     -1.03269443
+H      4.28302819      1.57984385      1.29696569
+H      6.44559947      1.34846696     -0.66652473
+H      5.84864398      0.19441596      0.33681993
+H      4.37606899      4.03255447      1.04566542
+H      5.68988550      3.87890677     -0.15259068
+H      6.69123747      2.60994249      1.68314183 
+
+17
+-1652.0875691636738 11.065025 11.84265 -9.0515 -7.03 -10.45 0.6209 -0.3819 0.511 9.76078 0.05988 4.35562818 6.2242459832 0.211868957
+N      3.27480365     -1.31811568      2.01802535
+C      2.54529738     -1.14034469      0.74080931
+C      2.30224442      0.33994460      0.42764618
+C      3.56796174      1.14954343      0.13205424
+N      4.45125882      1.23219530      1.28904401
+C      5.11594059      2.36647420      1.63481625
+O      5.08202910      3.43480814      1.02562269
+H      3.53430716     -2.30053276      2.13486397
+H      2.64972223     -1.09808432      2.79929563
+H      1.57779660     -1.67761191      0.72034978
+H      3.16809286     -1.57855972     -0.05662123
+H      1.75032106      0.81082664      1.25972986
+H      1.64482290      0.39858580     -0.45465410
+H      3.32004716      2.18043143     -0.15749531
+H      4.10315784      0.69497079     -0.72272095
+H      4.51536779      0.38541281      1.86348154
+H      5.71497869      2.22378594      2.56504278 
+
+12
+-1330.7541422340184 12.009358 11.66142 -8.2011 -6.3519 -8.452 0.0237 -1.6029 -0.833 8.03878 1.56255 3.4691034828 3.8946234348 0.314294599
+N      1.05201838     -0.29711459      0.07989278
+C      2.38904204     -0.07371249      0.06018696
+C      3.05450246      1.13889424      0.03832557
+C      2.33274354      2.41385658      0.06403735
+O      2.83823407      3.52900172      0.04603684
+C      4.47565644      1.14124152     -0.00718668
+C      5.69146313      1.16243602     -0.04311784
+H      0.69905745     -1.24088987      0.16411019
+H      0.38066590      0.45995501      0.13462860
+H      2.98985254     -0.98541566      0.04779949
+H      1.21307991      2.31931427      0.10659345
+H      6.76088415      1.18844325     -0.07585670 
+
+14
+-1493.4728626832737 12.872682 12.30053 -8.2714 -6.4596 -8.949 -0.0927 -1.6325 -0.624 8.75331 1.45453 3.4115119858 4.4136412294 0.490601481
+N      0.05512392      1.12193266      0.38551087
+C      1.26594456      0.50904215      0.44152822
+C      2.33903847      0.73742558     -0.36622661
+C      3.58321877     -0.00251587     -0.14479345
+O      3.72798456     -0.84366509      0.75643081
+C      4.69855700      0.31979816     -1.09288130
+C      5.89269679     -0.28250106     -1.00801194
+H     -0.71075560      0.79918173      0.96198977
+H     -0.16963734      1.76252666     -0.36802667
+H      1.38451570     -0.23180491      1.23799315
+H      2.28876155      1.46404967     -1.18126731
+H      4.50519032      1.07142697     -1.86471846
+H      6.06359310     -1.02964462     -0.22954361
+H      6.70614821     -0.04965203     -1.69577348 
+
+12
+-1333.2398314879888 11.952149 11.57979 -8.5891 -6.7798 -9.222 0.0437 -1.5854 -0.876 8.92342 1.62139 3.4096026014 10.931721634 0.351391107
+N      0.92946264     -0.03208930      0.08771225
+C      2.27970526      0.01233157     -0.06043445
+C      3.06394602      1.12183434      0.05237218
+C      4.50817676      1.08551227     -0.09080117
+O      5.22716036      2.09033254      0.00339859
+C      5.13197254     -0.21273714     -0.36228417
+C      5.71096737     -1.25870471     -0.58593220
+H      0.41569221     -0.87313298     -0.14119062
+H      0.39357692      0.82289198      0.19270383
+H      2.74984840     -0.95302129     -0.26699791
+H      2.63728410      2.10664415      0.25692737
+H      6.24050742     -2.16965143     -0.78034370 
+
+12
+-1329.9749782873582 12.481622 11.84699 -8.59 -6.8565 -9.047 -0.5377 -2.175 -1.099 8.43243 1.69886 3.396844442 4.1072966206 0.530874748
+N      0.95706231      0.14573695      0.11919119
+C      2.32505518     -0.00927434      0.04645531
+C      3.00414457     -1.21038763      0.03817800
+C      2.38050597     -2.51170336      0.01936693
+O      2.99107666     -3.58135839      0.01281337
+C      3.06478537      1.21167793      0.02586005
+C      3.67602161      2.26158897     -0.00598517
+H      0.57548485      1.04583431     -0.14912280
+H      0.36600604     -0.65908493     -0.05937117
+H      4.09279161     -1.18140855      0.03839532
+H      1.25603810     -2.52709016      0.00435291
+H      4.23309772      3.17640919     -0.03021394 
+
+18
+-1745.850783591542 11.863459 12.82623 -9.4023 -7.1937 -9.64 0.8553 -0.1598 1.247 9.09159 -0.67972 6.6772288342 6.6772288342 0.420830058
+N      1.25869082      0.12452206      0.47777471
+C      2.60698513      0.23353190     -0.11389051
+C      2.55230323     -0.32448846     -1.54866525
+C      3.90653503     -0.35422068     -2.25429214
+O      3.82511438     -0.86527714     -3.59077159
+C      3.00746079      1.68626827     -0.09905857
+C      4.09384799      2.17084034      0.51189006
+H      1.29079658      0.41536084      1.45792745
+H      0.95278685     -0.85201667      0.46824903
+H      3.37756143     -0.33760490      0.44794054
+H      1.83696756      0.26682429     -2.14211440
+H      2.15230194     -1.35474976     -1.49969994
+H      4.63679551     -0.93270254     -1.65554854
+H      4.30729835      0.66457170     -2.35630698
+H      3.50581067     -1.78316261     -3.53824101
+H      2.32029460      2.36029458     -0.62373215
+H      4.78235567      1.51482947      1.05175107
+H      4.33560348      3.23456927      0.49280821 
+
+16
+-1587.509895802129 11.267889 12.36075 -9.4492 -7.2155 -9.861 0.8004 -0.2567 2.226 9.49574 -1.78871 4.3725398704 10.8238414154 0.389129595
+N      1.00064395     -0.05838610      0.15629674
+C      2.47292935     -0.01477558      0.00238417
+C      2.88710604     -0.76174619     -1.28668767
+C      2.30825683     -0.17091571     -2.57278011
+O      2.65880363     -0.94801309     -3.72693909
+C      2.93142446      1.37795168      0.00216820
+C      3.33093320      2.52374367      0.03181373
+H      0.72610481      0.50305340      0.96557767
+H      0.72026780     -1.02217886      0.35788435
+H      3.00389183     -0.51226724      0.84170735
+H      2.56305043     -1.81196133     -1.19875237
+H      3.98862262     -0.76921200     -1.33912516
+H      2.63045989      0.87937337     -2.68518605
+H      1.21170977     -0.17631440     -2.52776124
+H      3.61913065     -0.86446924     -3.86047790
+H      3.67565476      3.53752762      0.05205738 
+
+16
+-1601.1063576525976 12.955791 13.39111 -8.3474 -6.3381 -8.858 0.9865 -0.1222 1.128 8.41989 -0.62323 5.8361326074 5.8361326074 0.584209782
+N      4.08395101     -2.10500388     -0.16054496
+C      3.84114883     -0.90277736      0.65663018
+C      3.07029294      0.11552628     -0.12670607
+C      3.51983372      1.35881494     -0.33165804
+O      2.78978048      2.28424338     -1.04290452
+C      3.34147219      3.53024714     -1.21503553
+C      2.71094248      4.49074704     -1.89649114
+H      4.55506020     -2.81964558      0.39900850
+H      4.71156600     -1.87207607     -0.93442246
+H      4.75803981     -0.43025003      1.06631667
+H      3.24010730     -1.22349889      1.52556189
+H      2.11243662     -0.19110212     -0.55404192
+H      4.47933394      1.71785222      0.05774467
+H      4.32492708      3.67035370     -0.75446635
+H      1.73260780      4.32479778     -2.34547536
+H      3.18449960      5.46301144     -2.00644556 
+
+16
+-1603.1331233167764 12.088242 12.64167 -8.5892 -6.5442 -8.984 0.9444 -0.0908 1.104 8.45069 -0.64397 5.971537718 5.971537718 0.388470188
+N      0.40506713     -0.06023899     -0.20608217
+C      1.84011828     -0.05463812      0.08215505
+C      2.43568649      1.32817074     -0.01311943
+C      1.74888370      2.47381408     -0.11649027
+O      3.81994619      1.22953663     -0.00655213
+C      4.54337545      2.33707435      0.37681213
+C      5.78625384      2.54625557     -0.06443521
+H      0.01446518     -0.97776841      0.01299440
+H      0.25149114      0.09315089     -1.20611330
+H      2.45177385     -0.71345467     -0.56695490
+H      1.98881152     -0.42258724      1.11176440
+H      0.66287665      2.42736173     -0.07946273
+H      2.23685444      3.43802744     -0.24332423
+H      4.03660020      2.98305939      1.10018278
+H      6.24991250      1.88692422     -0.79752365
+H      6.35835343      3.38548238      0.32551926 
+
+18
+-1748.3802260543123 11.875906 12.72069 -9.2618 -7.0823 -9.661 0.8256 -0.2547 1.185 9.1132 -0.61642 6.6606395074 6.6606395074 0.454903375
+N      0.79801378      0.14570547      0.66065661
+C      2.25677257     -0.02754690      0.47101506
+C      2.98979881      1.33112980      0.45467702
+C      2.76808327      2.11088300      1.77294946
+O      1.41637888      2.49431328      1.98564605
+C      4.45932020      1.11683048      0.21861812
+C      5.15140789      1.57976256     -0.82869325
+H      0.35833464     -0.75694525      0.85278558
+H      0.37462387      0.49482886     -0.20368118
+H      2.51138037     -0.58866631     -0.44722011
+H      2.63118776     -0.61809780      1.32418174
+H      2.58150375      1.94343680     -0.37023634
+H      3.36791715      3.03417252      1.75113067
+H      3.15060848      1.49173855      2.61353482
+H      0.88690369      1.69115191      1.75321683
+H      4.98736782      0.54006612      0.98898729
+H      4.66984874      2.16155856     -1.61907254
+H      6.22237835      1.39728834     -0.92974582 
+
+16
+-1592.664824146669 11.364727 12.37413 -9.4603 -7.2877 -9.954 0.7018 -0.3085 2.151 9.53678 -1.74039 4.3573267882 10.4452873602 0.21518457
+N      0.97573485     -0.07222490     -0.03836955
+C      2.45337171     -0.03348471      0.00462850
+C      2.96845705      1.42668701     -0.01082642
+C      2.41816325      2.24837488      1.18750454
+O      1.01865755      2.45904505      1.10489442
+C      4.42661349      1.44113748     -0.02049185
+C      5.64066316      1.44824701      0.01282392
+H      0.64215166     -1.00412572      0.21526663
+H      0.64574713      0.10458798     -0.99109503
+H      2.93274558     -0.59554857     -0.81639476
+H      2.77549123     -0.49933322      0.94874259
+H      2.60463203      1.91788244     -0.93319434
+H      2.90092375      3.23650002      1.19946772
+H      2.70531624      1.72627304      2.12334228
+H      0.64249724      1.57090730      0.88463996
+H      6.71124408      1.46354491      0.03466139 
+
+18
+-1750.3764867760983 11.637953 12.33532 -9.3535 -7.0999 -9.457 0.7461 -0.2398 1.399 8.9303 -0.83412 6.653584704 6.653584704 0.43725527
+N      2.17734331     -0.83181685      1.33939658
+C      2.15935681     -0.30649379     -0.04709772
+C      3.09691926      0.89718613     -0.17899351
+C      4.58356197      0.56338392      0.08910038
+O      4.79191622      0.12062438      1.42634050
+C      5.12819648     -0.39379417     -0.95039308
+C      5.73663963     -1.55246730     -0.67861926
+H      1.71962621     -1.74478254      1.38137143
+H      1.64723979     -0.21060866      1.95668051
+H      1.14503154     -0.02840784     -0.39028456
+H      2.51544593     -1.11493971     -0.70464833
+H      2.79010214      1.68951217      0.52473814
+H      2.99475640      1.31630987     -1.19347777
+H      5.15144501      1.50896097     -0.01580111
+H      3.99652119     -0.43070689      1.64307108
+H      5.01281936     -0.06866387     -1.99218468
+H      5.87609544     -1.87140531      0.35610220
+H      6.12153332     -2.19347051     -1.47288081 
+
+16
+-1588.556847887571 11.362729 12.49493 -9.4404 -7.1201 -10.008 0.9616 -0.145 2.055 9.60194 -1.67097 4.3667993186 10.5862842394 0.424482384
+N      1.06631828     -0.22536893     -0.57310092
+C      2.47146225     -0.26040092     -0.14121361
+C      3.06116975      1.15022844     -0.15826472
+C      4.53112776      1.21723715      0.29452509
+O      5.09791423      2.52086231      0.06648738
+C      4.69620743      0.80083857      1.69082565
+C      4.80670330      0.49799654      2.86168811
+H      0.65262253     -1.15610277     -0.48587186
+H      1.01286830      0.01713439     -1.56620529
+H      3.11549103     -0.92850360     -0.75130889
+H      2.49698657     -0.65000219      0.88848340
+H      2.44769121      1.80483581      0.48115627
+H      3.02917664      1.56181631     -1.18035627
+H      5.13166974      0.54506439     -0.34300534
+H      4.72737781      3.11704895      0.74290893
+H      4.92069317      0.22492556      3.89109207 
+
+18
+-1743.4144910419425 11.977013 13.06981 -8.8724 -6.7078 -9.495 0.988 0.0292 1.18 9.0313 -0.70063 6.4097910322 6.4097910322 0.369927636
+N      1.34414550     -1.65932997     -0.32161150
+C      2.60411848     -1.20158265      0.28905110
+C      2.87891826      0.25058742     -0.10305258
+C      4.10901301      0.84867170      0.55627576
+O      5.27853020      0.16569028      0.06601276
+C      6.47585584      0.59294461      0.55474447
+C      6.71384989      1.57299621      1.44123998
+H      1.13919177     -2.61326982     -0.01535504
+H      1.45635053     -1.71194050     -1.33836756
+H      3.48429981     -1.82058804      0.03124955
+H      2.48288634     -1.25828682      1.38412128
+H      2.00510124      0.86257944      0.17176862
+H      2.98967478      0.32934642     -1.19822641
+H      4.06505181      0.74196058      1.65639899
+H      4.19691306      1.92414484      0.32142736
+H      7.28398520      0.00659471      0.11101360
+H      5.93346205      2.17551274      1.90138543
+H      7.74507224      1.78130885      1.71850420 
+
+11
+-1241.10520661007 10.624028 10.45486 -9.1607 -7.3023 -9.435 -0.4505 -2.1283 -1.278 8.89514 1.91783 3.4501708206 4.2970199978 0.381387714
+N      1.05850178     -0.28665651      0.11329547
+C      2.38755101     -0.06224732      0.05602992
+C      3.04117781      1.15623258      0.02563001
+C      2.34344344      2.44437422      0.05351147
+O      2.87706904      3.54366969      0.02683661
+C      4.46547485      1.14194160     -0.03583926
+N      5.63384804      1.11419979     -0.08630835
+H      0.70383994     -1.23383351      0.13255014
+H      0.38189480      0.46769395      0.14226009
+H      2.99275289     -0.97060721      0.03155284
+H      1.22417640      2.36966272      0.10408105 
+
+13
+-1368.8855808825451 10.866103 11.07977 -8.6576 -6.7799 -8.81 0.6265 -0.9562 -0.102 8.30937 0.63548 4.7015367214 4.7015367214 0.319916472
+N      1.06070745     -0.31072029     -0.04701897
+C      2.40272792     -0.08193339     -0.01353314
+C      3.03508213      1.13358197      0.00205636
+C      2.31311857      2.45711371      0.03852837
+O      2.32641787      3.08985030      1.32881299
+C      4.45679025      1.14657487      0.00700698
+N      5.62856838      1.18644429      0.00950518
+H      0.70810773     -1.25322863      0.04773185
+H      0.39155013      0.44581861      0.03481593
+H      3.01095964     -0.98830936     -0.02503284
+H      1.27164850      2.32835400     -0.31462284
+H      2.79344711      3.16919166     -0.64795799
+H      2.31630432      2.38403226      1.99949812 
+
+11
+-1242.112121778571 10.847923 10.42917 -9.1074 -7.3323 -9.619 -0.4077 -2.1526 -1.463 9.47416 2.14099 3.338385043 4.3086870804 0.4528862
+N      0.96589127     -0.03175345      0.00533292
+C      2.31480830      0.02026013     -0.05753297
+C      3.07945296      1.15057777      0.03424466
+C      4.51886453      1.11986013     -0.04176913
+O      5.26563479      2.09778552      0.03250663
+C      5.13430216     -0.22333179     -0.22600864
+N      5.65363917     -1.25968574     -0.36973504
+H      0.47501285     -0.91316110     -0.07223207
+H      0.41098682      0.80780831      0.13264384
+H      2.80187190     -0.94935171     -0.19451565
+H      2.63299526      2.13761193      0.17041545 
+
+11
+-1235.8211623892657 11.052814 10.63084 -9.3855 -7.5535 -9.753 -1.0381 -2.772 -1.71 9.18401 2.11391 3.296849733 4.2930400472 0.541882269
+N      0.95469633      0.16467640      0.09649200
+C      2.31599316     -0.01419404      0.03511563
+C      3.00715662     -1.20252025      0.03750841
+C      2.39010080     -2.51381109      0.02343222
+O      3.01649992     -3.57050017      0.02695895
+C      3.07072462      1.20970516      0.01402144
+N      3.66779648      2.21335079     -0.01901192
+H      0.57733655      1.06946258     -0.16195214
+H      0.34759891     -0.63310189     -0.05543576
+H      4.09542125     -1.16583392      0.04434020
+H      1.26743534     -2.54049354      0.00275097 
+
+19
+-1768.4548604170172 11.52411 12.86834 -9.1474 -6.8107 -10.586 0.8127 -0.1994 2.963 10.15977 -2.68041 8.7148891498 9.8046145024 0.089985823
+N      1.12628029      0.11151154     -0.97705290
+C      2.57485134      0.09283395     -0.70074221
+C      3.05493393      1.49115130     -0.31289252
+C      4.53095900      1.54715317      0.05954765
+O      5.32575811      1.18832485     -1.07219195
+C      4.95478556      2.93932808      0.55023252
+N      6.42287852      2.96509212      0.68175118
+H      0.80803465     -0.83526524     -1.19752557
+H      0.95093098      0.66494698     -1.82116142
+H      3.19215680     -0.27836861     -1.53963479
+H      2.74209318     -0.59110345      0.14858904
+H      2.44807372      1.84958807      0.53531314
+H      2.88557915      2.18623870     -1.15491405
+H      4.71469680      0.82227698      0.88594971
+H      6.20107446      1.59097135     -0.87250627
+H      4.41042376      3.19131347      1.47958622
+H      4.67474178      3.67781374     -0.21774255
+H      6.71301484      2.53948384      1.56566636
+H      6.77471313      3.92310915      0.68488840 
+
+12
+-1319.675509501338 10.439696 10.05798 -9.1492 -7.1723 -9.652 -0.1977 -1.8609 -1.257 9.0248 1.89399 3.4476539048 5.0361625368 0.28249413
+N      0.96868049     -0.05424918      0.30187657
+C      2.27303879     -0.05287111      0.02650594
+C      3.04050401      1.10446049     -0.04221686
+C      2.43972177      2.40629452      0.18642665
+O      1.23709431      2.58314115      0.45372952
+C      4.46308291      0.97835405     -0.34914989
+O      5.26104355      1.90541003     -0.43907847
+H      0.43369991     -0.91356220      0.34457570
+H      0.54859570      0.87783611      0.46501333
+H      2.74717281     -1.02453509     -0.15194204
+H      3.13232863      3.27050682      0.10768671
+H      4.80329711     -0.08206560     -0.50674716 
+
+14
+-1442.707019984946 10.981947 10.80251 -8.4439 -6.6425 -9.018 0.5996 -1.073 -0.735 8.47932 1.41515 3.5478221942 4.3914973298 0.457366781
+N      1.02616595     -0.31116140      0.54171566
+C      2.33297588     -0.14498162      0.21576230
+C      2.96338868      1.06745107      0.09949629
+C      2.25065047      2.36853981      0.35710185
+O      0.94372467      2.44945762     -0.26883949
+C      4.36488973      1.06775301     -0.27615491
+O      5.06026845      2.06940737     -0.45479586
+H      0.60119189     -1.22743796      0.46858318
+H      0.42035920      0.50594747      0.44894049
+H      2.90746767     -1.06303926      0.05436950
+H      2.90023069      3.19883976      0.03887546
+H      2.04641122      2.49375822      1.43276901
+H      1.09179627      2.47254806     -1.23152528
+H      4.80634924      0.04264785     -0.40482821 
+
+14
+-1446.6811900964624 11.136814 11.20285 -8.5975 -6.7475 -9.29 0.3921 -1.2442 -0.549 9.18881 1.26101 3.6989611282 4.6012196488 0.367337259
+N      0.47179978      0.61278414     -0.01487230
+C      1.76857580      0.22951948      0.08794211
+C      2.86974281      1.01606294     -0.07868957
+C      4.19617223      0.45239888      0.08493184
+O      4.43646088     -0.73003687      0.38196373
+C      5.39204034      1.38178419     -0.12656165
+O      6.59880628      0.68736647      0.06944448
+H     -0.27420485     -0.06748267      0.04663559
+H      0.22384445      1.55298445     -0.30301310
+H      1.92723434     -0.82140434      0.34556545
+H      2.77928754      2.07438152     -0.33839673
+H      5.30499474      2.23559881      0.57462414
+H      5.33545845      1.80185412     -1.15074496
+H      6.29284721     -0.22699112      0.29012097 
+
+12
+-1308.6649776442805 10.860122 10.49495 -8.662 -6.8579 -9.438 -0.5607 -2.4009 -1.696 9.3827 2.2148 2.7330109994 3.9514586172 0.343962623
+N      0.79827198      0.19039689      0.02211426
+C      2.13783019      0.02730064     -0.06889072
+C      3.08794370      0.98870407      0.12530538
+C      4.48743671      0.65285349     -0.00850348
+O      4.96908408     -0.45479012     -0.29222967
+C      5.48347207      1.79877334      0.22785822
+O      5.17774527      2.94216998      0.51036193
+H      0.16636713     -0.58311415     -0.13841704
+H      0.39314818      1.09087361      0.25473979
+H      2.47102810     -0.98307624     -0.32439244
+H      2.83655172      2.01962433      0.38210341
+H      6.54519087      1.46529416      0.11009037 
+
+14
+-1435.7955369578062 10.79199 11.3339 -9.4064 -7.1902 -9.499 1.0111 -0.855 -0.241 10.75636 0.81616 4.3593229628 6.3296464818 0.335800526
+N      1.81550595     -0.57534939     -1.56798545
+C      2.95151719     -0.45585139     -0.63880955
+C      2.84227604      0.81636638      0.14625786
+C      3.80767931      1.73818260      0.16350680
+O      3.64430572      2.89579580      0.92676369
+C      4.64764551      3.82554437      0.87814682
+O      5.66767724      3.74910634      0.23353535
+H      1.84147005     -1.48348236     -2.03698164
+H      1.89340516      0.13668252     -2.29872088
+H      3.95079550     -0.50877843     -1.11592428
+H      2.88946808     -1.30904554      0.05889705
+H      1.91725765      0.98518640      0.70388076
+H      4.75447359      1.67484124     -0.37386634
+H      4.35966302      4.66545147      1.53704980 
+
+14
+-1434.2679559195167 10.202852 10.68452 -9.6511 -7.3583 -9.623 1.1677 -0.634 -0.194 9.07132 0.74461 4.3331991126 6.369842743 0.275675551
+N      2.13931094     -0.86651311      1.02774550
+C      1.46258607      0.11536027      0.17261184
+C      2.34713092      1.30708645     -0.09950353
+C      1.99006554      2.58565503      0.04999254
+O      3.69058397      1.04852575     -0.43986170
+C      3.97720598      0.13964983     -1.41697904
+O      3.19912948     -0.37530736     -2.18505926
+H      1.61026546     -1.73944100      1.04167948
+H      2.18978397     -0.52777803      1.99128451
+H      0.51091590      0.51406814      0.57292674
+H      1.23737403     -0.37718715     -0.78467540
+H      0.99057137      2.83234983      0.40364895
+H      2.68030898      3.39573841     -0.18041779
+H      5.07152738     -0.02436705     -1.40549284 
+
+18
+-1698.2823425666184 10.637288 11.74227 -9.3686 -7.1442 -10.515 0.8428 -0.1595 2.749 9.96526 -2.4719 8.5469253156 12.527917398 0.087441478
+N      1.40039672     -0.52148851      1.49179836
+C      2.68760231     -0.27048457      0.79798030
+C      2.91668245      1.23606918      0.59696237
+C      2.98519092      1.98569017      1.94017495
+O      1.76245116      1.95933525      2.66440881
+C      4.18658449      1.49168779     -0.21202210
+O      4.04873898      0.88355143     -1.50630298
+H      1.34558635     -1.49900752      1.78502873
+H      0.62447264     -0.37339578      0.84014877
+H      2.76576289     -0.78772824     -0.17308676
+H      3.49080028     -0.66276831      1.44547068
+H      2.06758002      1.64939019      0.02163473
+H      3.23102256      3.04641930      1.76284129
+H      3.81545853      1.55670142      2.54312767
+H      1.43129214      1.03039605      2.56474040
+H      5.06252583      1.07478743      0.32318529
+H      4.33865640      2.58277942     -0.30879429
+H      4.86619533      1.05221532     -2.00317621 
+
+18
+-1702.409047475708 10.551705 11.5416 -9.5113 -7.249 -10.721 0.6394 -0.3868 2.731 10.16358 -2.45544 8.587394346 12.083613567 0.091094704
+N      2.42295889     -0.34107383      1.92985998
+C      2.33196721     -0.29685636      0.45112419
+C      3.33618066      0.70981329     -0.12287695
+C      4.81251496      0.42902897      0.19966410
+O      5.06824637      0.40222329      1.61573140
+C      5.35669088     -0.86339827     -0.42475008
+O      6.69494669     -1.09073399      0.00420622
+H      1.88007554     -1.12478275      2.29832677
+H      2.01769836      0.50952149      2.33092053
+H      1.31721306     -0.04523706      0.08984225
+H      2.55578440     -1.30860195      0.08095495
+H      3.08909596      1.71761304      0.25252694
+H      3.20910782      0.74795663     -1.21753684
+H      5.42012146      1.26218410     -0.19477962
+H      4.26258112     -0.01911018      2.01675002
+H      5.37086217     -0.78432404     -1.52419385
+H      4.71165415     -1.72333085     -0.15238346
+H      6.68775030     -0.82661154      0.94846344 
+
+16
+-1577.9993033525518 10.222666 11.29735 -9.5431 -7.1917 -10.742 1.6718 -0.2066 -0.169 10.81655 0.68005 4.381975205 9.536135218 0.23986331
+N      0.72249957     -0.50960036      0.13132303
+C      2.18888998     -0.41237417      0.08627348
+C      2.61497836      1.04335752     -0.11482893
+C      4.12934407      1.19348207     -0.11478170
+O      4.51999635      2.59291501     -0.27021579
+C      4.67525059      3.02609809     -1.54155112
+O      4.53435883      2.37242924     -2.55377332
+H      0.44383100     -1.47292124      0.32903097
+H      0.33373012     -0.28593563     -0.78888204
+H      2.65946326     -1.03897363     -0.69961724
+H      2.57499540     -0.77593975      1.05349776
+H      2.17454348      1.66182423      0.68155842
+H      2.22176749      1.41103150     -1.07673073
+H      4.59163640      0.60933762     -0.92279595
+H      4.56395105      0.89769690      0.84990568
+H      4.96338405      4.09542258     -1.51103250 
+
+17
+-1593.3125599847992 11.65093 12.40527 -9.2627 -6.9491 -10.54 1.4056 -0.5155 0.308 10.40199 0.20224 5.323090938 6.5905626202 0.447359554
+N      0.83964557     -0.31442538      0.16331544
+C      2.31222780     -0.29614825      0.18131852
+C      2.82438376      1.09358013     -0.20004487
+C      4.33065648      1.25307035     -0.09496495
+O      4.94204823      0.41293673     -1.10227368
+N      6.33672336      0.51444862     -0.99890038
+C      6.92545376     -0.20240149     -1.88369050
+H      0.50242823     -1.23060085      0.46771108
+H      0.50795357     -0.20102472     -0.79902763
+H      2.78248020     -1.05179771     -0.47655510
+H      2.63577962     -0.52379065      1.21093513
+H      2.35216148      1.83691955      0.46160272
+H      2.50903900      1.34096536     -1.22847900
+H      4.70117052      0.94685871      0.89789696
+H      4.63188650      2.29811610     -0.27149838
+H      8.01505491     -0.17947886     -1.86951567
+H      6.38769698     -0.81011765     -2.62092971 
+
+17
+-1615.4100489857917 10.672408 11.7949 -9.0344 -6.8422 -10.424 0.8352 -0.1596 2.747 9.86778 -2.43402 8.1744341758 11.8059097242 0.145728485
+N      1.07923748      0.05433796     -0.71550726
+C      2.48480089     -0.09100175     -0.30684673
+C      3.01324495      1.25087341      0.24701313
+N      2.22163918      1.78531968      1.35598135
+C      4.47325682      1.11355048      0.63592752
+C      5.10245798      1.93575815      1.67906470
+O      4.74720593      0.55573876      1.94335049
+H      0.64665933     -0.86229825     -0.83900572
+H      1.02290625      0.52322060     -1.62322606
+H      3.15412885     -0.44323425     -1.11856230
+H      2.53117369     -0.83921495      0.50095676
+H      2.97944719      1.98916573     -0.58015649
+H      2.39117410      1.18856803      2.17405223
+H      1.23609242      1.65043184      1.10735184
+H      5.12113548      0.71261538     -0.15516266
+H      4.48937384      2.67560234      2.20026422
+H      6.17895563      2.13044683      1.63098497 
+
+19
+-1759.4144999170715 11.632797 12.76965 -8.7541 -6.6116 -10.058 0.8903 -0.1323 3.248 9.32458 -3.01772 8.1069733932 8.7472494958 0.137960906
+N      2.17406088      0.86975361      1.37605997
+C      1.81422019      2.13681159      0.72987917
+C      2.87399689      3.24362280      0.79013333
+N      4.10533835      2.81404683      0.12493788
+C      5.19307257      3.78418050      0.23113848
+C      6.39502889      3.33793694     -0.57989321
+O      6.00549188      3.32340541     -1.96526959
+H      3.12430316      0.62814484      1.07577491
+H      2.23683022      1.01468703      2.38819289
+H      0.87841204      2.50834859      1.17627750
+H      1.58282950      1.92559789     -0.32990532
+H      3.11683936      3.45697632      1.84697586
+H      2.45679663      4.18396283      0.36293922
+H      3.91538046      2.67371457     -0.87273060
+H      5.49553945      3.86573614      1.28896899
+H      4.89888142      4.80382722     -0.10278904
+H      6.70416173      2.32954949     -0.25128349
+H      7.23229401      4.04058681     -0.41488595
+H      6.71902238      2.90830060     -2.47676099 
+
+19
+-1769.071385295119 11.396937 12.42017 -9.2997 -7.1288 -10.461 0.72 -0.2882 2.849 9.92848 -2.57434 8.3853343618 11.6009856634 0.083857718
+N      0.98786805     -0.02397672     -0.27032784
+C      2.45223830     -0.01860992     -0.12048957
+C      2.95788585      1.41918091      0.09281624
+N      2.31250780      2.09257251      1.24175413
+C      4.48189945      1.48928186      0.23466534
+C      5.02438878      2.92325316      0.22956831
+O      4.58284479      3.70169520      1.33667113
+H      0.61953882     -0.97009245     -0.15969572
+H      0.73146112      0.27348928     -1.21539202
+H      2.99417735     -0.47012729     -0.97584918
+H      2.70449198     -0.61728471      0.77156378
+H      2.67589521      2.00578630     -0.80401813
+H      2.55957542      1.58039868      2.09718116
+H      1.29858645      1.97184382      1.13776563
+H      4.94707069      0.93193745     -0.59620014
+H      4.78868336      0.98710261      1.17041433
+H      4.74471510      3.40499374     -0.73207312
+H      6.12521641      2.90410929      0.27152467
+H      3.61967509      3.49408626      1.42662099 
+
+13
+-1297.8235629382878 10.811588 11.43355 -9.6429 -7.4535 -10.009 1.1305 -0.4608 0.375 9.63062 0.26792 4.405036601 10.9996535634 0.532410561
+N      1.01558247     -0.03404146      0.32668103
+C      2.46136463     -0.02796776     -0.01574835
+C      2.63791187     -0.77579637     -1.32183456
+N      3.34922847     -0.29685096     -2.26876406
+O      3.38990306     -1.18447016     -3.36949396
+C      2.96407828      1.34423254     -0.04884669
+C      3.36475669      2.48696422      0.00163529
+H      0.86571873      0.59323270      1.12037343
+H      0.75016632     -0.97177977      0.64045074
+H      3.07495491     -0.56987415      0.73914763
+H      2.14217444     -1.75289029     -1.40768926
+H      3.93472299     -0.68637603     -4.00563467
+H      3.72026713      3.49686751      0.01790343 
+
+13
+-1303.5955473146842 11.179198 11.44801 -9.4563 -7.2 -9.72 0.3255 -1.3737 -0.227 9.19319 0.78862 3.9023725598 11.3972394696 0.359971734
+N      1.92956463     -0.28194056      1.39941694
+C      2.42611094      0.06400596      0.05917913
+C      2.94213914      1.49482922      0.02912668
+N      2.18403427      2.55039249      0.07081209
+O      0.82139240      2.18315679      0.16363349
+C      4.34139271      1.72668377     -0.06166930
+C      5.55070741      1.82627260     -0.14808636
+H      1.71022218     -1.27968328      1.42799635
+H      1.05520158      0.21988656      1.57142037
+H      1.67268121     -0.02408400     -0.74846047
+H      3.26202443     -0.60393283     -0.18503450
+H      0.38663669      3.05410601      0.15796513
+H      6.61298242      1.94063727     -0.21793957 
+
+18
+-1736.9531045147028 11.41355 12.78929 -9.2612 -6.9194 -10.546 1.0281 0.1017 3.311 10.56394 -3.07877 8.7173068768 11.4992551504 0.222095041
+N      1.25418777     -0.48611035     -0.39055235
+C      2.46760654     -0.19535549      0.38333417
+C      2.86970759      1.25634204      0.20500921
+O      3.25925858      1.44481159     -1.16461952
+C      3.54544823      2.78858786     -1.45783027
+C      4.91937695      3.33643375     -1.14614607
+C      4.50440026      3.03585596     -2.57736247
+H      1.01381522     -1.47576998     -0.30521102
+H      1.45197428     -0.31980889     -1.38086577
+H      3.34017983     -0.82944137      0.12496103
+H      2.25093580     -0.35689316      1.45162569
+H      3.71112648      1.51225407      0.87581470
+H      2.01264729      1.91418497      0.44373502
+H      2.68860220      3.46535313     -1.34768266
+H      5.62871037      2.64574434     -0.68920754
+H      5.01178124      4.37577242     -0.82870061
+H      4.30490349      3.86489666     -3.25622827
+H      4.94322788      2.15206244     -3.03996328 
+
+14
+-1468.0083158429454 10.253368 11.65527 -10.2162 -8.0408 -11.581 1.0097 -0.3027 1.357 11.77817 -0.99284 5.4156712842 11.523010868 0.33102974
+N      1.20916018      3.24394207      0.63876256
+C      2.32767950      2.95352014      0.78800351
+C      3.73037214      2.61163338      1.02617937
+O      4.24325025      1.90133494     -0.09808519
+C      5.61724517      1.61546754      0.06717918
+C      6.41089258      1.48815434     -1.19021960
+C      6.63127521      2.68091575     -0.27463328
+H      3.79043270      2.00244098      1.94901291
+H      4.29761832      3.54503632      1.20295671
+H      5.83497358      0.93480198      0.89931673
+H      5.87325631      1.67493688     -2.11952906
+H      7.17170541      0.70980159     -1.23984349
+H      7.54843494      2.73659378      0.31219022
+H      6.24161370      3.63789031     -0.62351056 
+
+18
+-1747.8533769861554 11.148782 12.3849 -9.6151 -7.3515 -10.805 0.7978 -0.1673 2.925 10.10492 -2.5841 8.5663415232 11.9533290782 0.1777587
+N      1.60770501      0.23106441     -0.02782425
+C      2.77085461     -0.18383739     -0.84410727
+C      2.23522619     -1.15326470     -1.91387103
+O      1.12551276     -0.59019441     -2.60422489
+C      3.41312093      1.04159061     -1.46007543
+C      4.38348189      1.86935424     -0.64710626
+C      4.88131052      1.02646609     -1.80006401
+H      1.84524975      1.05801919      0.52342359
+H      1.34712737     -0.50745294      0.63048954
+H      3.54406203     -0.71688111     -0.25195807
+H      1.95356172     -2.11024259     -1.42662054
+H      3.01967115     -1.37106344     -2.65425229
+H      0.64309023     -0.10254786     -1.89936193
+H      2.76150047      1.58615049     -2.14774576
+H      4.62378849      1.52680787      0.36171023
+H      4.37040280      2.95323214     -0.76549360
+H      5.20277915      1.53219366     -2.71052478
+H      5.45136496      0.12779576     -1.55692326 
+
+18
+-1749.134678799878 11.272136 12.65482 -9.4914 -7.2638 -10.744 0.8048 -0.1876 2.947 10.13887 -2.61406 8.6853928804 12.0114909108 0.137764196
+N      1.39792908      0.50431555     -1.39488226
+C      2.81150218      0.27651916     -1.04289486
+C      3.12470299      1.03257948      0.25802331
+O      2.12830623      0.72116862      1.23191988
+C      4.48885767      0.69012306      0.80064510
+C      5.70190048      1.45761705      0.32109015
+C      5.18987915      1.65110842      1.72830565
+H      1.06200442     -0.20940926     -2.04217351
+H      1.28431813      1.40592331     -1.86442522
+H      3.53150216      0.57010682     -1.82860149
+H      2.93879406     -0.80104456     -0.85304217
+H      3.10628297      2.12526478      0.03713265
+H      1.31060497      0.61187410      0.69521182
+H      4.63058123     -0.37407943      1.00932134
+H      5.54220048      2.26861743     -0.39212100
+H      6.63196653      0.90766841      0.17653715
+H      5.76943507      1.23482010      2.55216340
+H      4.67562221      2.58477697      1.96012007 
+
+17
+-1617.2788132100898 10.528922 11.4831 -9.3759 -7.183 -10.501 0.8216 -0.1709 2.808 9.99967 -2.4768 8.2644852076 11.6654583834 0.140645608
+N      1.16313143      0.04888513      0.06169053
+C      2.61863654     -0.06827871     -0.12315870
+C      2.87251862     -0.66078658     -1.52427455
+O      2.09286511      0.00096056     -2.51011857
+C      3.27074602      1.29855668      0.03987893
+C      2.64446210      2.57331908     -0.39822712
+N      2.66194298      2.20514071      1.03801057
+H      0.99420124      0.71333407      0.82592340
+H      0.76765986     -0.85030189      0.34211220
+H      3.09257482     -0.74103510      0.62152520
+H      2.64145899     -1.74600511     -1.49766225
+H      3.93438937     -0.55671894     -1.80059301
+H      1.26112571      0.21420854     -2.02794982
+H      4.36421602      1.26098905     -0.00318972
+H      1.65447346      2.55911322     -0.85593350
+H      3.30794435      3.36816969     -0.74678606
+H      3.38640340      2.72925960      1.53577247 
+
+17
+-1617.495334286929 10.76475 11.95285 -9.362 -7.1879 -10.873 0.7971 -0.2076 2.847 10.28958 -2.52673 8.6767014618 12.6081115428 0.142235677
+N      1.16740275      0.23303431     -0.78028835
+C      2.63714093      0.16367952     -0.70030380
+C      3.13135359      1.32830723      0.17343099
+O      2.38348532      1.35450809      1.38757085
+C      4.59731611      1.20164446      0.50419880
+C      5.66140336      1.60156013     -0.45858378
+N      5.34616283      2.45950385      0.70223935
+H      0.77251426     -0.66158944     -1.07204438
+H      0.87665132      0.92693181     -1.47340028
+H      3.14939500      0.18490832     -1.67981468
+H      2.89914086     -0.78343405     -0.20229289
+H      2.99507856      2.28200154     -0.38130726
+H      1.48807973      1.05411508      1.11112404
+H      4.82560100      0.36492646      1.17431881
+H      5.38793543      2.03401530     -1.42488581
+H      6.58683442      1.01997914     -0.46345908
+H      6.04906452      2.32998824      1.43607747 
+
+16
+-1548.2370554229622 9.953524 11.09496 -9.8535 -7.5874 -11.091 0.6846 -0.3482 2.622 10.42215 -2.31909 8.571648124 13.4486126368 0.112671419
+N      1.19917322      0.08638376      0.05601929
+C      2.65264023     -0.11611514     -0.12025682
+C      2.85167922     -0.81383117     -1.47675346
+O      2.17881450     -0.11850598     -2.51950936
+C      3.34073192      1.23457028     -0.09427224
+C      3.87709025      1.79617022      1.15823243
+O      4.75520361      1.20966407      0.17753417
+H      1.01518083      0.70251073      0.85097826
+H      0.74524384     -0.80681636      0.26407534
+H      3.11907728     -0.74123038      0.66672049
+H      2.49026922     -1.86019619     -1.39705869
+H      3.92226700     -0.84725383     -1.72699258
+H      1.33870146      0.17825729     -2.10726486
+H      3.04674159      1.92493367     -0.89360959
+H      3.77739800      1.22506826      2.08883940
+H      3.96531784      2.88152077      1.27343823 
+
+16
+-1548.2652661343188 9.94126 11.13201 -9.7889 -7.5177 -10.914 0.7901 -0.2433 2.627 10.26419 -2.3062 8.6610048342 11.3094945774 0.161728469
+N      1.59578202      0.17161804     -1.34429493
+C      3.00649014      0.12230260     -0.91360959
+C      3.21582375      1.25393048      0.09674702
+O      2.25253870      1.15035411      1.14443987
+C      4.58494044      1.31280457      0.74705726
+C      5.57171342      0.22134757      0.73923861
+O      5.72441306      1.36072203     -0.13582316
+H      1.31708539     -0.71254136     -1.77169345
+H      1.46503701      0.89572160     -2.05535298
+H      3.74192689      0.20470762     -1.73330434
+H      3.15847307     -0.84024234     -0.40210568
+H      3.08303000      2.21863839     -0.44360080
+H      1.44168048      0.85089954      0.67571757
+H      4.62847697      2.02681468      1.57920700
+H      5.34846498     -0.72442585      0.23639832
+H      6.30229369      0.16017833      1.55276927 
+
+18
+-1750.0648194369703 11.775544 12.63577 -9.5988 -7.39 -9.585 1.0429 -0.1635 1.238 9.05023 -0.67596 6.6356191326 6.6356191326 0.445566369
+N      0.72248755     -0.13318106     -0.49320801
+C      2.18573199     -0.27899487     -0.36674765
+C      2.59820162     -1.44414556     -1.28403924
+O      2.07417156     -1.27542790     -2.59487396
+C      2.86412302      1.04161806     -0.78281418
+C      2.50571569      2.18650588      0.11815334
+C      1.83577560      3.28391268     -0.25724002
+H      0.42875577      0.78395881     -0.14754478
+H      0.23860581     -0.83816218      0.06734772
+H      2.50693499     -0.52381958      0.66668312
+H      2.24343830     -2.39537931     -0.83534992
+H      3.69509941     -1.50273916     -1.36264522
+H      1.18411999     -0.88799224     -2.43338822
+H      2.59274490      1.27039845     -1.82503294
+H      3.95484036      0.87824799     -0.75592163
+H      2.81380018      2.08909208      1.16696512
+H      1.51398234      3.42582774     -1.29232703
+H      1.60008093      4.08045019      0.45039350 
+
+16
+-1593.1403832725919 11.249281 12.28305 -9.7938 -7.5481 -9.911 0.709 -0.3176 2.259 9.50094 -1.87383 4.364865137 10.4326903826 0.35024753
+N      0.94333921     -0.04434836     -0.23166660
+C      2.39167989     -0.11268251     -0.51198307
+C      2.58327684     -1.17788417     -1.60286570
+O      1.74308986     -0.92686873     -2.72368792
+C      2.86250924      1.28100825     -0.98481142
+C      4.30553407      1.36621643     -1.15613509
+C      5.51106519      1.42162582     -1.28752423
+H      0.72227957      0.76583411      0.35124231
+H      0.65082339     -0.87141225      0.29507977
+H      2.99722186     -0.40092094      0.36880917
+H      2.37428625     -2.17581239     -1.16536098
+H      3.62502533     -1.17613776     -1.95519422
+H      0.89984936     -0.61911304     -2.32550924
+H      2.54379781      2.04098228     -0.25047679
+H      2.35692505      1.51790860     -1.93547851
+H      6.57299709      1.47568465     -1.41424747 
+
+18
+-1751.114081138363 11.995568 13.11252 -9.4787 -7.236 -9.444 0.7767 -0.2398 1.435 8.90127 -0.87539 6.6788406522 6.6788406522 0.463950125
+N      1.05763719     -0.08598130      0.16363623
+C      2.51063071     -0.07905478     -0.08270395
+C      3.00997315      1.37138383     -0.01306434
+O      2.52357987      1.97911598      1.18281581
+C      4.53921380      1.45556619     -0.03200827
+C      5.05423070      2.86580819     -0.04654243
+C      5.87207201      3.36870980     -0.97834523
+H      0.73804270     -1.01149786      0.45151561
+H      0.54566820      0.15431331     -0.68874532
+H      2.81115556     -0.53450242     -1.04522297
+H      2.99068502     -0.65009890      0.72788698
+H      2.61864279      1.91981631     -0.89840084
+H      1.63263980      1.57821248      1.29702084
+H      4.92057663      0.90818036     -0.91004869
+H      4.90585742      0.93764304      0.87285531
+H      4.71093430      3.50212308      0.77522185
+H      6.23015100      2.75848051     -1.81261874
+H      6.21543915      4.40365217     -0.93924186 
+
+16
+-1595.5351259254644 11.301411 12.44611 -9.7276 -7.4737 -9.889 0.7991 -0.2177 2.22 9.50701 -1.82387 4.3606868088 10.4576859602 0.210772495
+N      1.21942657     -0.22844733     -0.38010205
+C      2.69325967     -0.16923969     -0.39862307
+C      3.11502743      1.26440327     -0.05257689
+O      2.43901300      1.68698340      1.12630493
+C      4.62434338      1.39987929      0.20765571
+C      5.44709431      1.12144642     -0.96157719
+C      6.12120039      0.88663137     -1.94390800
+H      0.89521573     -1.19040785     -0.27549433
+H      0.83520050      0.11802521     -1.26271150
+H      3.15422548     -0.47880469     -1.35279199
+H      3.06495124     -0.83926835      0.39318626
+H      2.85148205      1.92688433     -0.90484444
+H      1.56217424      1.24416525      1.05501487
+H      4.90023442      0.72792240      1.03797978
+H      4.81354418      2.42651429      0.56011373
+H      6.72593741      0.68366269     -2.80395582 
+
+18
+-1738.0939776630146 12.146509 13.27955 -9.2886 -6.9503 -9.709 1.5526 -0.0997 1.306 9.18655 -0.76027 6.776640809 6.776640809 0.455039826
+N      1.93759164     -1.28202386     -0.67525214
+C      1.61417842      0.01949777     -0.07643520
+C      2.84634861      0.90353611     -0.04206749
+O      3.79488512      0.31721913      0.85291989
+C      5.02198788      1.04746061      0.88792400
+C      6.01070335      0.31303628      1.73784704
+C      6.69362581      0.86659820      2.74440281
+H      1.11298225     -1.88564348     -0.66410333
+H      2.64129187     -1.74227617     -0.09169855
+H      1.20171319     -0.03783712      0.95118392
+H      0.85894572      0.51796397     -0.70514500
+H      2.57640633      1.92197088      0.30215250
+H      3.28323135      0.97866562     -1.05749771
+H      4.85588790      2.07127408      1.27989656
+H      5.41772411      1.14785028     -0.14537114
+H      6.17271598     -0.73658822      1.47183836
+H      6.53867865      1.91019822      3.02986203
+H      7.43432183      0.30136771      3.31149347 
+
+16
+-1579.4047163978032 11.6178 12.90142 -9.3635 -7.0177 -9.884 1.0481 -0.0656 2.297 9.76861 -1.88964 4.4144471384 11.0367873704 0.382298752
+N      2.68261524     -0.70041151     -1.21070858
+C      2.31328012     -0.03118452      0.04216151
+C      2.83927009      1.39169485      0.05081408
+O      4.27020779      1.33276554      0.07952829
+C      4.84755811      2.63440068     -0.01191782
+C      6.30063959      2.54486253      0.00593270
+C      7.51252884      2.50632561      0.01672752
+H      2.34966838     -1.66645234     -1.20219265
+H      3.70352660     -0.74525004     -1.26934260
+H      2.67526692     -0.53751090      0.95986356
+H      1.21431977      0.01638841      0.10613499
+H      2.46313711      1.93686223      0.93930059
+H      2.50147243      1.92147230     -0.86129986
+H      4.50661832      3.26724055      0.83345441
+H      4.51913887      3.13583530     -0.94517061
+H      8.58254182      2.46311132      0.02705446 
+
+19
+-1757.2986937684575 11.61792 12.77552 -9.3146 -6.9601 -10.552 0.9542 -0.0433 3.285 9.91058 -3.11376 8.7171704922 11.5426254532 0.166630938
+N      3.22016392     -0.92436792     -0.14308064
+C      2.85838300     -0.14153162      1.04601190
+C      2.72121257      1.32772789      0.69353049
+O      4.01032695      1.83809870      0.34795609
+C      3.95945526      3.20967768     -0.04935057
+C      5.35727988      3.65641121     -0.43453717
+N      5.80202377      2.96413972     -1.65129233
+H      3.34847865     -1.90610128      0.11091181
+H      4.12509457     -0.59551941     -0.48945967
+H      3.57412149     -0.22883199      1.88872468
+H      1.87973798     -0.49286729      1.41067106
+H      2.31294590      1.88901157      1.55810099
+H      2.02696374      1.44463464     -0.16134959
+H      3.58003331      3.83084650      0.78694235
+H      3.27646142      3.32744780     -0.91315565
+H      6.01961085      3.51315347      0.44342948
+H      5.31932806      4.73786438     -0.64233213
+H      5.83330576      1.95877352     -1.46358116
+H      6.75760291      3.24376242     -1.88245995 
+
+11
+-1242.536583967558 10.851255 10.32759 -9.0194 -7.1809 -9.324 -1.003 -2.8173 -1.705 8.76653 2.02437 3.280483581 3.941576933 0.351010464
+N      0.91886499      0.02150544      0.10077381
+C      2.27338131      0.03355095      0.04221795
+C      2.88575435     -1.32593753     -0.04907179
+O      2.20217567     -2.33839215     -0.01542238
+C      3.07042389      1.15251420      0.04794258
+C      4.47842169      1.10863201     -0.04149100
+N      5.64937822      1.13841567     -0.11232764
+H      0.38399195      0.85036733      0.32692511
+H      0.48374817     -0.89372458      0.19983481
+H      3.99181313     -1.35301272     -0.14245574
+H      2.62850663      2.14866138      0.12471429 
+
+13
+-1373.9633787446005 10.885225 10.98114 -8.5896 -6.6994 -8.878 0.6199 -0.9771 -0.077 8.30546 0.62961 4.6743093958 4.6743093958 0.252188875
+N      0.91015802      0.08167708     -0.08409679
+C      2.27822640      0.06013896     -0.08205397
+C      2.86528569     -1.33816899     -0.10917583
+O      2.13730078     -2.21736746     -0.97732014
+C      3.05993059      1.17767999      0.01799718
+C      4.47043454      1.12198935      0.05524186
+N      5.64402265      1.10251795      0.07893537
+H      0.43277218      0.95959138     -0.25991591
+H      0.46395779     -0.75292357     -0.45927608
+H      2.77734509     -1.77635728      0.89749685
+H      3.93359922     -1.29031204     -0.36412735
+H      2.42422329     -2.03611410     -1.89025532
+H      2.60666377      2.16860873      0.09283013 
+
+18
+-1690.44787930553 10.8943 12.09196 -9.4833 -7.1243 -10.644 0.9344 -0.0946 3.089 9.99722 -2.86947 8.7089378218 13.5177720276 0.115071347
+N      2.79794172     -0.71038843     -1.23409998
+C      2.43242339     -0.03886878      0.01948102
+C      2.91397867      1.39991894      0.01841015
+O      4.34461000      1.40918948      0.04634651
+C      4.88098575      2.73256314      0.02473861
+C      6.39131537      2.61998137     -0.05432913
+O      6.82946650      2.00606842     -1.26653489
+H      2.44772506     -1.67070813     -1.22989836
+H      3.81724851     -0.77771425     -1.29074725
+H      2.81652485     -0.53297598      0.93488579
+H      1.33357464     -0.02066782      0.09577257
+H      2.51963836      1.93115044      0.90717053
+H      2.55289932      1.91638302     -0.89175515
+H      4.58744754      3.28374282      0.94131428
+H      4.49496877      3.28421571     -0.85449192
+H      6.76092298      2.06487306      0.82879085
+H      6.83388746      3.62676675     -0.03422663
+H      6.31868109      1.18008023     -1.34969699 
+
+12
+-1307.8491890486796 10.83771 10.13527 -8.8513 -7.0673 -9.557 -1.0355 -2.8328 -1.857 8.91185 2.1304 3.112916502 3.9161846002 0.389712116
+N      1.15651366     -0.11402044      0.06479977
+C      2.50761371     -0.06646243      0.05977198
+C      3.12903555     -1.42615025      0.26066366
+O      2.41973489     -2.41163959      0.41328235
+C      3.25613251      1.07976346     -0.10896904
+C      4.70708401      1.19539438     -0.13125982
+O      5.54708391      0.30160545      0.00084352
+H      0.57994782      0.71017055     -0.04281534
+H      0.73177363     -1.02826352      0.21203175
+H      4.23386341     -1.45759429      0.25938861
+H      2.72237107      2.02549737     -0.24716208
+H      5.04761582      2.24971931     -0.29202535 
+
+18
+-1698.4974716265092 10.595607 11.68133 -9.6268 -7.3939 -10.849 0.7197 -0.3068 2.857 10.17004 -2.58992 8.5950442822 12.8553520254 0.075259933
+N      0.87047248     -0.17143816     -0.05541459
+C      2.32406421     -0.22162193     -0.33802091
+C      2.56431314     -1.55076993     -1.07561864
+O      1.70859073     -1.67693292     -2.20646036
+C      2.70924065      0.99918543     -1.18544451
+C      4.21411067      1.20055325     -1.35324818
+O      4.91059927      1.41490922     -0.11530716
+H      0.59231079      0.76857792      0.23343288
+H      0.64099059     -0.79673495      0.72157000
+H      2.94286576     -0.21715423      0.57916257
+H      2.40333839     -2.38529720     -0.36219686
+H      3.60308327     -1.62505519     -1.43071230
+H      0.85802043     -1.29640115     -1.89278254
+H      2.28349888      1.90911691     -0.72274851
+H      2.24759368      0.90735787     -2.18260417
+H      4.39684767      2.03475267     -2.05431536
+H      4.68057773      0.30630824     -1.79235031
+H      4.61999167      2.27231416      0.24208896 
+
+14
+-1439.1760638317633 11.216837 11.02226 -8.4808 -6.7037 -9.22 0.388 -1.269 -0.742 8.58632 1.41519 3.4965415846 4.5082053516 0.519185345
+N      1.42580498      0.02526236     -0.16885791
+C      2.79063808      0.08421071     -0.18002408
+C      3.42409012     -1.24524218     -0.56055446
+O      2.72135164     -2.36504710     -0.00038792
+C      3.48910693      1.24372263      0.04550132
+C      4.92647143      1.37983895      0.03110019
+O      5.52527638      2.43756975      0.24103375
+H      0.89935043      0.80592888      0.20866929
+H      1.01181921     -0.89986642     -0.08178927
+H      4.48833209     -1.26303298     -0.29373763
+H      3.34824526     -1.36928463     -1.65213823
+H      2.97422314     -2.43317773      0.93772298
+H      2.93635771      2.16408410      0.25824277
+H      5.51605260      0.44995365     -0.17764082 
+
+18
+-1703.6945560639913 10.72439 11.88765 -9.6674 -7.3418 -10.939 0.667 -0.3661 2.767 10.26569 -2.49334 8.6742961334 10.3540460628 0.122443212
+N      1.23154511     -0.22720541     -0.48631270
+C      2.69998707     -0.18355654     -0.36634525
+C      3.12554678      1.27798189     -0.17411499
+O      2.30783397      1.85941041      0.85261129
+C      4.59506950      1.43265794      0.20142196
+C      5.01582434      2.89017524      0.41540459
+O      4.46851882      3.47053115      1.59677481
+H      0.86999819     -1.15430795     -0.26112393
+H      0.93770670     -0.01602682     -1.44289086
+H      3.24028262     -0.62319085     -1.22505866
+H      2.98052271     -0.74853124      0.53622752
+H      2.94660636      1.82316346     -1.12774474
+H      1.43222759      1.42586226      0.72753378
+H      5.20717172      0.99985191     -0.60847398
+H      4.80098265      0.86027713      1.12162627
+H      4.74384571      3.48304190     -0.48297569
+H      6.11008680      2.94813367      0.52299406
+H      3.52499335      3.21013186      1.61232653 
+
+13
+-1341.5941732851536 9.942909 10.42508 -9.5151 -7.3645 -10.681 -0.446 -2.3927 -1.35 10.27635 1.72668 3.1518109102 6.0964040186 0.301347929
+N      1.69040279      1.56997688     -2.03498830
+C      2.53805578      1.97251339     -1.15845434
+C      3.02694623      3.38541474     -1.40725417
+O      3.84470946      3.98458677     -0.73108985
+N      2.94970687      1.14113334     -0.07921022
+C      4.35941381      1.21420362      0.40433699
+C      3.26696847      1.75705298      1.24187348
+H      1.40645986      0.60406341     -1.80275930
+H      2.54549491      3.83522017     -2.30779813
+H      5.02727609      1.93711034     -0.06455634
+H      4.78243946      0.23156611      0.62142168
+H      2.87821118      1.17712059      2.08102111
+H      3.20709506      2.84170767      1.33274739 
+
+15
+-1494.704357472055 10.319207 11.23555 -9.3452 -7.1418 -10.41 1.1721 -0.3352 0.385 9.69854 0.31765 4.1325277716 7.7677105014 0.107835663
+N      1.22199166     -0.51908840     -0.74310513
+C      2.31389814     -0.02514772      0.08248381
+C      2.14430919      1.39896211      0.63048435
+O      1.09779826      2.02857044      0.54120950
+N      3.31241908      1.95017867      1.17066535
+C      3.31009972      2.78922841      2.35384884
+C      3.99438307      1.44960316      2.36279178
+H      1.17165239      0.04435184     -1.59661583
+H      0.33775969     -0.33171136     -0.26024043
+H      3.25994961     -0.07392060     -0.47878272
+H      2.44853668     -0.69945023      0.94762842
+H      2.36068848      2.88554510      2.88618444
+H      3.91265838      3.69753683      2.28951825
+H      5.08375903      1.39058969      2.30213231
+H      3.51051661      0.64611205      2.92525706 
+
+15
+-1517.3377287979347 11.557278 11.74423 -8.5047 -6.5481 -9.094 0.8114 -0.5092 0.286 8.54896 0.40978 4.284894167 5.3112750722 0.332971208
+N      3.10079529     -1.21801694      0.21090882
+C      2.26681040     -0.04132291     -0.07730248
+C      3.05258266      1.27805610     -0.07891137
+O      2.48607719      2.36834236     -0.07915158
+N      4.41688679      1.10169519     -0.10837999
+C      5.33465917      2.14708933     -0.14242100
+C      6.66728676      1.99145079     -0.17919946
+H      2.74045353     -2.04585477     -0.26392727
+H      3.09692997     -1.42685405      1.21111105
+H      1.41495635      0.10158180      0.60783043
+H      1.83984415     -0.14065179     -1.08698285
+H      4.71489608      0.12041704     -0.10119660
+H      4.85516371      3.12759552     -0.13661990
+H      7.13972108      1.00763282     -0.18696583
+H      7.31457690      2.86520952     -0.20429196 
+
+14
+-1440.0890954209403 10.523155 11.1763 -9.513 -7.2347 -9.867 1.0364 -0.7048 0.005 10.35355 0.67185 4.3997423988 6.6673595486 0.382555589
+N      0.82362422      0.17375220      0.70424269
+C      2.17474026     -0.34074012      0.52008020
+C      2.96417621      0.55354015     -0.40891409
+O      2.49122247      1.37867496     -1.16186879
+O      4.31044427      0.27201926     -0.30528302
+C      5.17298425      0.96456083     -1.14832754
+C      6.48438990      0.73424854     -1.09229069
+H      0.17076787     -0.58897003      0.88253903
+H      0.52795320      0.64586211     -0.15451196
+H      2.23577820     -1.35360400      0.07057404
+H      2.71322932     -0.40123884      1.47989692
+H      4.68073722      1.67259973     -1.81475794
+H      6.91266717      0.01282900     -0.39708216
+H      7.14909545      1.28205620     -1.75650668 
+
+13
+-1348.1142712021178 10.256885 10.8525 -9.62 -7.5457 -10.637 0.6743 -1.2357 -0.224 10.09938 0.84345 3.6616537408 6.4673081376 0.127101175
+N      0.98370464      0.27270425      0.08704181
+C      2.25452966      0.21081421     -0.03609392
+N      3.09920084      1.21728473      0.45633770
+C      3.80405453      2.11789311     -0.43846524
+C      2.65523261      2.60954005      0.42364364
+C      2.98125937      3.42696112      1.62919414
+O      2.42321593      4.46961251      1.91234896
+H      0.55514531     -0.59474505     -0.25605517
+H      2.82898432     -0.62765035     -0.46429287
+H      3.59690863      2.06043824     -1.51058893
+H      4.83325372      2.35891168     -0.16030472
+H      1.70596633      2.82841984     -0.07211859
+H      3.81164412      3.00713565      2.25418318 
+
+13
+-1382.271307130033 10.354467 10.72329 -9.3919 -7.5415 -10.164 0.7713 -0.9744 -0.144 10.0633 0.71919 4.3235034074 5.6419457342 0.310338678
+N      1.23091718      0.01272594      0.70099072
+C      2.35832558      0.04550151      0.08996349
+N      3.00670368      1.24731575     -0.11645928
+C      2.64907272      2.63317624      0.24891225
+C      3.97649806      3.08837537     -0.41917252
+C      4.22009392      1.60027411     -0.73521794
+O      5.07022348      0.93238889     -1.28129133
+H      0.89781569     -0.95567679      0.76392499
+H      2.92368627     -0.80385158     -0.32268967
+H      2.58120511      2.78122439      1.33432283
+H      1.72506955      2.97413532     -0.23544939
+H      3.86965312      3.71784530     -1.31106205
+H      4.72372561      3.52496555      0.25474790 
+
+15
+-1469.1552354264163 10.548603 10.98775 -8.1905 -6.314 -9.922 0.9173 -0.0217 0.763 9.1724 -0.21977 4.8630036892 6.0616383442 0.193836129
+N      1.17042110      0.14388748      0.52010916
+C      2.28928654      0.22480491     -0.11219719
+N      3.21889650      1.20001694      0.19628356
+C      2.78109528      2.49086486      0.75108877
+C      3.22341258      3.51281531     -0.30278808
+C      4.46716104      2.82795043     -0.85837110
+O      4.12187400      1.43871865     -0.94009110
+H      0.66409079     -0.69403552      0.21802841
+H      2.66768415     -0.46453828     -0.88207705
+H      3.27848574      2.66523589      1.71702823
+H      1.69469247      2.43906528      0.90972671
+H      2.46011666      3.61840394     -1.08671266
+H      3.43340530      4.49936643      0.12927706
+H      4.73675242      3.13410434     -1.87813123
+H      5.33586542      2.97157934     -0.18806348 
+
+13
+-1360.5151674197512 10.190809 10.69141 -8.968 -7.0895 -10.077 0.6317 -1.2651 -0.006 9.98427 0.78055 3.7468817172 6.0143376852 0.218691695
+N      1.19008775      0.14608630      0.53635958
+C      2.40588047      0.10507875      0.11831463
+N      3.23519689      1.19384339      0.23592506
+C      2.72360058      2.57109824      0.42635139
+C      3.87597125      3.04227965     -0.47220887
+O      4.29029900      4.11027073     -0.84324043
+C      4.30216930      1.57614781     -0.71885316
+H      0.74106294     -0.76655042      0.41385066
+H      2.91403088     -0.76730593     -0.32850288
+H      2.73595415      2.93548991      1.46459885
+H      1.71542951      2.72269373      0.00312652
+H      4.14253067      1.24614748     -1.75958050
+H      5.32584660      1.32474036     -0.40089084 
+
+13
+-1327.2403539661982 11.297815 10.75201 -7.5143 -5.6572 -8.4 1.1019 -0.5305 0.502 7.78487 0.01649 4.799064109 4.799064109 0.382909169
+N      1.23182933     -0.09827529     -0.69280620
+C      2.31604065      0.07507790     -0.01431447
+N      2.87828649      1.31745438      0.10194557
+O      4.08194066      1.43972605      0.87026459
+C      4.44842036      2.85508235      0.82098906
+C      3.37876064      3.49946057     -0.01466340
+C      2.50782537      2.54823592     -0.39356930
+H      0.96698975     -1.08646550     -0.66517560
+H      2.90479910     -0.67951082      0.52765889
+H      5.46075171      2.93225533      0.38112171
+H      4.48854581      3.23518591      1.85930338
+H      3.33336499      4.55477365     -0.26064689
+H      1.60605514      2.59533954     -0.99706734 
+
+15
+-1499.3930883309179 10.623674 11.42113 -8.9313 -6.9704 -9.891 0.7052 -0.2814 0.864 9.143 -0.26835 4.9777155364 6.2860406056 0.172882941
+N      2.59777192     -1.07520467     -0.49717612
+C      2.20732536      0.26476479     -0.54017335
+N      1.00105342      0.71247521     -0.43775274
+C      3.34178179      1.22531692     -0.61905072
+C      3.10385618      2.61893575     -1.19075372
+C      3.30445966      2.47261315      0.27024267
+O      4.50953566      2.97571512      0.79435916
+H      3.48612430     -1.30563999     -0.93545059
+H      1.86740038     -1.75775952     -0.68329525
+H      0.31845484     -0.05189553     -0.35899355
+H      4.33980653      0.81062800     -0.77270701
+H      2.09030871      2.81789102     -1.53897238
+H      3.92439109      3.05377306     -1.76150140
+H      2.41833556      2.55407486      0.90791596
+H      4.67981460      2.51679185      1.63624904 
+
+15
+-1495.3087466075474 10.32497 11.09492 -8.9867 -7.0214 -9.888 0.8481 -0.1348 1.005 9.13226 -0.39396 5.0592115342 6.3662347504 0.191332137
+N      1.31325029      0.17488067      0.97843481
+C      2.23206381      0.11280514     -0.05031017
+N      2.26430448     -0.66953550     -1.07314954
+C      3.28774146      1.20204671      0.02008886
+C      2.92818345      2.57603126     -0.59642190
+C      3.26111315      3.14267312      0.79367780
+O      3.43032279      1.79965340      1.35038924
+H      1.64183211      0.66486115      1.81092876
+H      0.72602746     -0.63783088      1.13682153
+H      1.47374099     -1.32902285     -1.07183611
+H      4.23912167      0.78125426     -0.33969774
+H      1.87403901      2.66333067     -0.88455141
+H      3.56673439      2.90020442     -1.42556646
+H      4.20242406      3.71292343      0.85244555
+H      2.46300088      3.69702501      1.31107678 
+
+15
+-1484.7047969704884 10.779498 11.57174 -8.7595 -6.7974 -9.548 0.8545 -0.0773 0.85 8.7454 -0.30809 4.9493103438 5.9252661428 0.264250498
+N      4.31444454      1.72854001      4.12343643
+C      4.09854041      1.65276372      2.85852812
+N      5.01221159      1.08687541      2.00163419
+C      4.93269414      1.13994366      0.57147848
+C      6.02506140      1.87101325     -0.25299292
+O      6.11282091      0.74622857     -1.17242886
+C      5.36497537     -0.09654437     -0.25122866
+H      3.50796959      2.14959979      4.59368644
+H      3.18961953      1.99854881      2.33376066
+H      5.89066859      0.80085255      2.43405061
+H      3.92480195      1.47894329      0.29483825
+H      6.96507236      2.01439610      0.31193601
+H      5.75198155      2.80625244     -0.76501338
+H      4.58366383     -0.68048147     -0.76064430
+H      6.02944423     -0.77637177      0.31382895 
+
+15
+-1491.414804949154 10.279441 10.97588 -9.0764 -7.1109 -9.96 0.8026 -0.2015 0.937 9.21072 -0.33528 5.0875423352 6.3653544498 0.190611514
+N      1.02641656      0.34876760      0.65885495
+C      2.22872014      0.01484358      0.05065183
+N      2.54436750     -1.11653387     -0.48235003
+C      3.24209186      1.13682548     -0.00304839
+C      2.66445228      2.54654998     -0.26996223
+O      2.68728725      2.86501489      1.15892680
+C      3.59013285      1.73712983      1.38161813
+H      1.00647540      1.18196814      1.24538827
+H      0.42019649     -0.40974866      0.95460543
+H      1.78428529     -1.80397659     -0.36845672
+H      4.08053643      0.80958718     -0.62622254
+H      1.65145762      2.61199073     -0.69209358
+H      3.35309062      3.19992116     -0.83244400
+H      4.63816227      2.07386083      1.46002358
+H      3.31720744      1.15514973      2.27495849 
+
+15
+-1486.071434537782 10.658221 11.61805 -8.7524 -6.7568 -9.59 0.965 0.0133 0.929 8.76403 -0.39703 4.9128956556 11.5574045844 0.332441124
+N      2.44623083     -0.64290608      0.14680439
+C      2.18640572      0.40824749     -0.55139554
+N      3.13998013      1.34606039     -0.85786143
+C      4.54885716      1.14696162     -0.54994814
+C      5.20365462      2.45283381     -0.18696000
+C      6.57562656      2.77118420     -0.61066135
+O      5.45061564      3.36554995     -1.28768770
+H      1.58910738     -1.18161538      0.29890041
+H      1.19500710      0.68325271     -0.95083376
+H      2.91418926      2.03503747     -1.56821238
+H      5.08393772      0.68369614     -1.39853290
+H      4.59206120      0.44276989      0.29400678
+H      4.80949505      2.94631189      0.70998580
+H      7.13827493      2.03741786     -1.19827705
+H      7.17703671      3.46230802     -0.01139713 
+
+15
+-1494.3187069789183 10.439256 11.32566 -9.0286 -7.0375 -9.913 0.936 -0.0217 1.007 9.17778 -0.42051 5.0676921766 11.2269694958 0.252094766
+N      2.24509819     -1.48896932     -0.89363379
+C      2.38183803     -0.11394021     -0.75703923
+N      1.97323387      0.80191568     -1.56658246
+C      3.04671240      0.30136563      0.54466629
+C      4.49188149     -0.13764046      0.61975592
+C      5.08988336     -0.64668680      1.86447365
+O      4.72647939     -1.56059946      0.80811694
+H      2.89505164     -2.06132279     -0.35577919
+H      2.04677918     -1.83842739     -1.82734607
+H      1.54112126      0.38631551     -2.40560192
+H      2.49276153     -0.12928913      1.39408271
+H      2.98889636      1.39607066      0.60677916
+H      5.16180472      0.31329025     -0.12230788
+H      4.46946763     -0.70643303      2.76520073
+H      6.16645096     -0.54429915      2.03288514 
+
+13
+-1374.2130346377483 12.362194 11.53721 -8.7544 -7.0082 -9.39 -0.0849 -1.7612 -0.917 9.29575 1.46976 3.4770385868 4.5560763462 0.631269748
+N      2.26999199     -0.23431814      1.17931567
+C      2.07132327      1.00503115      0.93318030
+N      3.10219718      1.84058515      0.50612616
+C      4.39877489      1.42972850      0.31197277
+C      5.41564486      2.22788231     -0.10138566
+C      6.74970387      1.67619826     -0.27068174
+O      7.73185118      2.31540220     -0.63875078
+H      1.40035434     -0.68329849      1.47934851
+H      1.11691622      1.54768623      1.01926880
+H      2.87092923      2.81487024      0.33020541
+H      4.55092464      0.36900047      0.52546407
+H      5.27691556      3.29079485     -0.31797558
+H      6.83314278      0.58225727     -0.03476793 
+
+15
+-1505.5891458861213 10.634615 11.30548 -8.7895 -6.8381 -9.719 1.348 -0.7271 -0.06 8.8928 0.66884 3.6680266212 5.9730999416 0.196755556
+N      3.92618334      3.21580147     -3.29951947
+C      2.90393426      3.36708941     -2.52737930
+N      2.95909590      3.08849626     -1.18791685
+C      4.12227467      2.45007703     -0.57974989
+C      5.30533844      3.40905201     -0.43754186
+C      6.47187784      2.83509067      0.31495574
+O      6.51406685      1.71607527      0.79737827
+H      3.68387056      3.48568096     -4.25679603
+H      1.91211209      3.73793772     -2.83874512
+H      2.08663600      3.09003045     -0.67413259
+H      4.43066614      1.58950830     -1.19396229
+H      3.82706197      2.06583013      0.40530414
+H      5.00825763      4.34488911      0.07051338
+H      5.65619319      3.72071105     -1.43751112
+H      7.34623112      3.53051016      0.41718300 
+
+17
+-1646.624942624058 11.046977 11.75361 -9.0454 -6.8032 -10.204 0.5145 -0.5023 0.718 9.44383 -0.06025 4.8877017004 6.359179947 0.185872973
+N      1.28137028     -0.22779232     -1.01727330
+C      2.43570011     -0.41350311     -0.27883675
+N      2.69888060     -1.45332523      0.43891164
+C      3.37252938      0.78186872     -0.29496418
+C      4.84097307      0.54486456      0.09390822
+C      5.13264335      0.27443061      1.57969628
+O      4.93277439     -1.06572722      1.99124341
+H      1.28510855      0.46341372     -1.76000836
+H      0.67694324     -1.02856083     -1.17440726
+H      1.97048676     -2.17506422      0.37737105
+H      2.93264355      1.54245957      0.37456961
+H      3.33999739      1.22391125     -1.30524079
+H      5.38905104      1.45829131     -0.19187155
+H      5.26378963     -0.27875021     -0.50396945
+H      4.53468316      0.98493692      2.19336685
+H      6.19314234      0.50707228      1.77311263
+H      4.09516316     -1.36471580      1.54171194 
+
+15
+-1501.060418781675 11.725962 11.9961 -9.07 -7.1955 -9.456 0.3806 -1.2798 -0.16 8.79107 0.62529 4.7285284736 5.5057347146 0.587563278
+N      4.39084328     -1.39549280     -0.29579782
+C      3.23267448     -0.62293496     -0.35493863
+N      2.03802879     -1.05242108     -0.61279978
+C      3.38788845      0.83431596     -0.17216753
+C      4.54033424      1.51774634     -0.06264640
+C      4.60971226      3.00121636      0.13769263
+O      5.30104131      3.34494083      1.35159638
+H      5.14485427     -1.04256838      0.28831737
+H      4.24421447     -2.39586278     -0.19326803
+H      2.02952678     -2.07639258     -0.73047393
+H      2.43054105      1.36188039     -0.15378554
+H      5.51041026      1.01060859     -0.10758972
+H      3.59587132      3.43976639      0.11226401
+H      5.19887373      3.47201485     -0.66482032
+H      4.81217531      2.92873288      2.08444729 
+
+13
+-1372.5663600954354 11.694287 11.37507 -9.5087 -7.6398 -10.088 -0.8271 -2.5758 -1.604 9.35003 1.95648 3.3076737108 4.9369117438 0.692489212
+N      3.34194012     -1.33548263      0.02448382
+C      2.54868347     -0.20180057     -0.09081588
+N      1.25373753     -0.15513926     -0.11730475
+C      3.24117757      1.10040448     -0.11359541
+C      4.55552610      1.32885076      0.09304997
+C      5.09784856      2.69233476      0.03400195
+O      6.27851857      2.96893091      0.19941744
+H      4.28844404     -1.27786145     -0.34169271
+H      2.88674826     -2.22310006     -0.16778418
+H      0.84239441     -1.09928666     -0.07897236
+H      2.56679232      1.93925758     -0.30599241
+H      5.27416150      0.53861496      0.32712509
+H      4.34009754      3.48897717     -0.18102056 
+
+15
+-1503.5832940238186 11.109378 11.30454 -9.428 -7.2901 -9.707 0.3358 -1.3022 -0.158 9.03508 0.61619 4.62219808 5.6168261706 0.500522208
+N      0.90011060      0.00580092      0.27087490
+C      2.26194510     -0.01932957      0.01526878
+N      2.94126280     -1.05841765     -0.36029928
+C      2.98605146      1.28246529      0.12793741
+C      2.35160374      2.46461079      0.05615428
+C      4.49101517      1.18453999      0.30278441
+O      5.13187492      0.53427724     -0.78809244
+H      0.56797316      0.70177458      0.93250791
+H      0.43513154     -0.89466747      0.34324504
+H      2.36856981     -1.91070859     -0.39795277
+H      1.27643856      2.54845055     -0.11175216
+H      2.91193321      3.39832192      0.12711035
+H      4.70136790      0.66007971      1.25769843
+H      4.91414731      2.19725970      0.37624064
+H      4.63456472     -0.31682741     -0.87182550 
+
+13
+-1369.3294991215232 10.644052 10.76716 -9.4516 -7.3677 -10.038 -0.473 -2.2552 -1.077 9.38535 1.61604 3.3966088686 5.1901035544 0.321360371
+N      1.00532133      0.01574846      0.34621928
+C      2.35523459     -0.04160434      0.01720143
+N      3.02532935     -1.09575574     -0.31459227
+C      3.06735041      1.26719826     -0.01661122
+C      2.45909381      2.45608872     -0.18638016
+C      4.56649839      1.22653465      0.10794596
+O      5.25947579      2.22969299      0.17110791
+H      0.71889729      0.76526410      0.97106198
+H      0.56009425     -0.87541824      0.54919138
+H      2.44552275     -1.94477499     -0.26869527
+H      1.38301623      2.55317100     -0.33104625
+H      3.07208047      3.35907081     -0.21788500
+H      4.99755534      0.20294431      0.14183221 
+
+13
+-1341.5690358892118 11.326083 12.26031 -9.2504 -7.2919 -9.586 0.6846 -0.9806 0.178 8.94118 0.32305 3.9332326752 10.4888560406 0.297365182
+N      1.03227656      0.05570290      0.04094196
+C      2.41917989     -0.07324162     -0.05908609
+N      3.10167876     -1.15809696     -0.21932540
+C      3.11591673      1.18979455     -0.03019380
+C      3.67633701      2.26862312      0.03040212
+C      4.35586991      3.55960265      0.04582346
+O      3.54138692      4.64424902     -0.42049582
+H      0.69047636      0.90684834      0.48035618
+H      0.52426637     -0.78447179      0.30583820
+H      2.48396532     -1.98269626     -0.20748730
+H      5.29359221      3.48111825     -0.53549146
+H      4.63767837      3.82138605      1.07762720
+H      3.20811559      4.39765175     -1.30222925 
+
+11
+-1207.4618636343896 11.278847 11.62186 -9.4809 -7.6258 -10.129 -0.8661 -2.6936 -1.445 10.0816 1.84312 3.2657664428 10.6348619542 0.377937105
+N      1.03888142      0.06304777      0.00000000
+C      2.40986015     -0.09089980      0.00000000
+N      3.10225832     -1.18408988      0.00000000
+C      3.13073869      1.15989225      0.00000000
+C      3.68780414      2.24535462      0.00000000
+C      4.42449675      3.48237474      0.00000000
+O      3.90187933      4.58963510      0.00000000
+H      0.62240854      0.98645588      0.00000000
+H      0.42995096     -0.74624204      0.00000000
+H      2.48693732     -2.01066318      0.00000000
+H      5.53252438      3.35657454      0.00000000 
+
+15
+-1514.1294063063722 10.484569 11.07338 -8.9668 -6.9423 -9.854 0.7745 -1.2552 -0.378 9.11489 1.01406 3.689265423 6.354716451 0.175279388
+N      1.54797962     -1.13402581     -0.63353048
+C      1.96674098     -0.27162627      0.36668855
+N      1.51956923     -0.18948333      1.57446356
+C      3.04725045      0.70991368     -0.06161661
+C      4.47151980      0.16789979      0.11582521
+C      4.95206434     -0.82329770     -0.90768642
+O      4.29256166     -1.27223942     -1.83273361
+H      2.22398029     -1.31114676     -1.37826271
+H      1.00720978     -1.94454824     -0.34295842
+H      0.81205154     -0.91588966      1.75834295
+H      2.92984281      1.59832879      0.56993761
+H      2.89502715      1.00808023     -1.11005285
+H      4.59695299     -0.29868439      1.11038912
+H      5.20895555      0.99168237      0.10812954
+H      6.01755380     -1.14261328     -0.77794543 
+
+11
+-1218.7176229121517 10.571662 10.85271 -9.9797 -7.9159 -10.374 -0.2387 -2.0128 -0.718 9.67455 1.14601 3.8774885696 5.7198213408 0.224687562
+N      0.90118283      0.07330240     -0.47234543
+C      2.11537885      0.15043629     -0.04878897
+N      2.83859772     -1.00649741      0.27956152
+C      2.35943423     -2.30928659      0.19194035
+O      3.04074387     -3.27522161      0.49326948
+C      2.85384463      1.37079325      0.13442440
+C      3.43702845      2.42733046      0.27378175
+H      0.53723331      1.01256792     -0.66039207
+H      3.79657247     -0.89964438      0.61123757
+H      1.31662162     -2.35527582     -0.17382802
+H      3.95035204      3.36008551      0.39624941 
+
+11
+-1219.9299781014638 10.815587 11.02154 -9.7532 -7.962 -10.524 -0.1847 -1.9851 -0.841 10.03405 1.4023 3.855592642 5.657667159 0.271476191
+N      0.96549930      0.08198545     -0.27410242
+C      2.23104103     -0.05279701     -0.13929255
+N      3.03109390      1.08137996     -0.04072703
+C      4.41376907      1.04159521      0.10702773
+O      5.06531873      0.00404023      0.16574594
+C      5.02252392      2.35793214      0.18662998
+C      5.58232294      3.43274121      0.25821158
+H      0.52008322     -0.84043865     -0.33241771
+H      2.81207228     -0.98273891     -0.08729420
+H      2.55805633      1.98499114     -0.08179011
+H      6.08527927      4.37715922      0.32231878 
+
+13
+-1374.9714220960543 10.860708 10.91692 -9.3242 -7.3991 -10.18 -0.6514 -2.4004 -1.332 9.66245 1.91426 3.1505710502 5.2833658236 0.306659988
+N      1.10696101     -0.20807452      0.26016314
+C      2.45829769     -0.31850364      0.08648979
+N      3.17780506     -1.35927232     -0.18320438
+C      3.16464129      1.03148544      0.22397011
+O      2.50828041      2.01822271      0.55888010
+C      4.61897837      1.05550389     -0.05147251
+C      5.31838958      2.19596094      0.05489598
+H      0.78056583      0.69012019      0.61412842
+H      0.54021610     -1.03224347      0.41788172
+H      2.60383208     -2.21256958     -0.24049115
+H      5.07143217      0.10663359     -0.33935526
+H      4.82032675      3.12259375      0.34973549
+H      6.38927365      2.22844304     -0.14725145 
+
+11
+-1210.7359576297129 10.335749 10.59564 -9.4886 -7.5679 -10.382 -0.7802 -2.6027 -1.465 9.91807 1.9645 3.2032774988 10.7147089382 0.192544092
+N      1.00666808      0.03434655      0.09361155
+C      2.34813269     -0.13827708     -0.11482919
+N      3.04686465     -1.21212352     -0.26920679
+C      3.08542097      1.19184813     -0.19460957
+O      2.49858101      2.25171136      0.01798392
+C      4.49036950      1.14617145     -0.51661212
+C      5.67288782      1.22870357     -0.78365790
+H      0.71251533      0.97707948      0.34443641
+H      0.43636353     -0.74449431      0.40030614
+H      2.46702804     -2.05961363     -0.18961416
+H      6.71764839      1.27739799     -1.01677830 
+
+15
+-1499.5322159172413 11.0046 11.46636 -9.0851 -7.1561 -9.624 0.7526 -0.3128 0.659 9.16124 -0.15499 5.028562195 6.2787874246 0.319679812
+N      1.92020209     -1.06377154      0.84517548
+C      2.60017258     -0.46952409     -0.19696136
+N      2.76058505     -0.88889814     -1.40269711
+C      3.23234742      0.88755668      0.16957789
+O      2.56923457      1.53210489      1.26267769
+C      4.68222291      0.67162047      0.52231249
+C      5.26110191      1.08407289      1.65336035
+H      2.08147035     -0.67485424      1.77198124
+H      1.74180983     -2.06169981      0.79530436
+H      2.35403215     -1.82501656     -1.53842044
+H      3.18216413      1.50182338     -0.74741820
+H      1.70199042      1.83166828      0.94168568
+H      5.24353633      0.12734820     -0.24116747
+H      4.69831993      1.63142092      2.41012724
+H      6.31736034      0.88969868      1.84161215 
+
+13
+-1338.377525669046 10.508314 11.15815 -9.1637 -7.2071 -9.944 0.8587 -0.3723 0.831 9.31228 -0.19231 4.378131639 10.6159168934 0.190485602
+N      1.48849225     -0.55232942      0.76902257
+C      2.57003154     -0.31671112     -0.05371020
+N      3.01578606     -1.01181432     -1.03635288
+C      3.20916207      1.06768460      0.21557809
+O      3.00157019      1.50050027      1.58056869
+C      4.61889851      1.11751463     -0.14846162
+C      5.81104146      1.21672681     -0.34781425
+H      1.47890626     -0.02676986      1.64186907
+H      1.12032685     -1.49730565      0.80626015
+H      2.46503031     -1.87125557     -1.17025507
+H      2.64721821      1.78957045     -0.40334610
+H      3.80738755      1.26012621      2.07387647
+H      6.85949873      1.28257296     -0.55609492 
+
+15
+-1495.377806961202 11.148728 11.6943 -9.1675 -7.0072 -9.729 0.7882 -0.17 0.991 9.19033 -0.39868 5.0459326336 6.4897744008 0.352120977
+N     -0.23932330      0.87141244     -0.97574308
+C      0.54296749      1.21553906      0.11083243
+N      0.29786178      2.06976001      1.04136169
+C      1.91851031      0.57386819      0.11953157
+O      1.85467707     -0.72013716     -0.50166255
+C      3.04039686     -1.38740660     -0.63006142
+C      4.25768954     -0.99658548     -0.22713634
+H     -0.01976365     -0.01993683     -1.41571955
+H     -1.22879720      1.09279755     -0.92027030
+H     -0.62200501      2.51389875      0.91158056
+H      2.26245857      0.49490543      1.16098686
+H      2.62201012      1.21450555     -0.44187177
+H      2.87051826     -2.34324479     -1.12997538
+H      4.45440992     -0.05525729      0.28179969
+H      5.10069924     -1.65860883     -0.41301241 
+
+15
+-1450.5711939384041 11.067331 11.63533 -9.0938 -7.0987 -10.275 1.7386 -0.0366 0.701 9.6225 -0.19666 4.8669712412 6.399413404 0.247216936
+N      1.02575317      2.78462440      2.11657100
+C      2.15012992      2.51292293      1.56261591
+N      2.95424506      3.53278966      1.07029882
+O      3.70436820      3.12812224     -0.08797487
+C      5.04491787      3.56616067      0.05381887
+C      5.77686323      3.73639352     -1.23879532
+C      5.40876952      4.95304583     -0.40681296
+H      0.62524861      1.93851801      2.53497489
+H      2.63026965      1.52620110      1.46416418
+H      2.42756973      4.38765364      0.85749393
+H      5.56152077      3.14205918      0.91920943
+H      5.20051233      3.56990807     -2.14884696
+H      6.81712482      3.41483731     -1.28330627
+H      6.19377638      5.48422791      0.13187830
+H      4.60003074      5.57780551     -0.78670894 
+
+15
+-1499.19174897253 10.470163 11.41052 -9.1961 -7.1487 -10.108 0.81 -0.1923 0.93 9.40789 -0.39556 5.2236913618 11.7608036174 0.245709919
+N      1.20055580      1.43578494     -0.47732818
+C      2.45716483      1.70826397      0.05970692
+N      2.76558387      2.36658408      1.11432979
+O      3.40298434      1.07405149     -0.70069281
+C      4.74218925      1.17367365     -0.22409334
+C      5.78753083      0.72049774     -1.19194567
+C      5.64462286      2.19540067     -0.84874551
+H      1.21589859      1.14003339     -1.45116903
+H      0.49306099      2.13641999     -0.28073196
+H      1.92933578      2.73673710      1.57532555
+H      4.83620795      0.96189449      0.84086189
+H      5.44358358      0.40653943     -2.17770886
+H      6.63842183      0.16264853     -0.80118607
+H      6.39114824      2.67246751     -0.21376507
+H      5.20481123      2.83852302     -1.61088767 
+
+13
+-1292.7942817218213 11.211459 11.68008 -9.3553 -7.3589 -10.148 1.4048 -0.3822 0.619 9.75123 -0.11382 4.4164309144 10.5161577578 0.656303451
+N      0.97773848      1.68355654     -1.50683589
+C      2.22274000      1.98139313     -1.46787179
+N      2.86720204      2.13410871     -0.24248967
+O      4.23809238      1.72857903     -0.28733432
+C      5.04325891      2.82461504      0.22083524
+C      6.44004945      2.42864975      0.17807357
+C      7.61260749      2.12162097      0.15322203
+H      0.63187584      1.72677173     -2.47095833
+H      2.89097203      2.20135139     -2.31570852
+H      2.39154921      1.62996490      0.51468008
+H      4.74115195      3.05853534      1.25685217
+H      4.87390247      3.72483199     -0.39448234
+H      8.64847973      1.85042149      0.12595778 
+
+15
+-1502.143414391063 11.195561 11.89135 -9.2561 -7.2052 -9.78 1.0126 -0.2774 0.884 9.26362 -0.65251 5.2115531324 6.7747934176 0.475818637
+N      1.10180072      1.66201119     -0.86408207
+C      2.25497129      0.96757081     -0.50372997
+N      2.50009879     -0.28968893     -0.56780857
+O      3.19840082      1.86077435     -0.09077995
+C      4.49932124      1.29084976      0.21357783
+C      5.44730910      2.41981048      0.45399745
+C      6.20273675      2.53527335      1.55086984
+H      1.03559098      2.59466302     -0.46140628
+H      0.24222142      1.12808514     -0.78189613
+H      1.69193597     -0.80829316     -0.92328710
+H      4.81114892      0.67064225     -0.64265871
+H      4.41416387      0.62915173      1.08880338
+H      5.52738051      3.15890511     -0.34981358
+H      6.13459837      1.81106725      2.36657205
+H      6.92043125      3.34840765      1.66670183 
+
+13
+-1343.4135942851367 10.691311 11.56281 -9.3911 -7.3676 -9.984 0.803 -0.3151 0.805 9.51601 -0.26318 4.413157684 10.4688323016 0.386682044
+N      1.25711324     -0.23127231     -0.86092452
+C      2.50232381     -0.24708836     -0.24259456
+N      3.08488785     -1.19036252      0.40086422
+O      3.12167886      0.94971154     -0.46639144
+C      4.48492018      1.01488361      0.02469398
+C      5.03483747      2.31915915     -0.30115801
+C      5.53997554      3.39202332     -0.55408400
+H      0.90001810      0.69904212     -1.06773439
+H      0.56648968     -0.84962640     -0.44762186
+H      2.49577283     -2.02536423      0.45901785
+H      5.07452595      0.20582329     -0.43461568
+H      4.48919250      0.83921767      1.11177841
+H      5.97960399      4.34220313     -0.77962000 
+
+14
+-1448.5758065157816 9.743006 10.73036 -9.4929 -7.4967 -10.804 0.8442 -0.1478 0.45 9.68959 0.18894 4.3843433376 12.6473903076 0.291767571
+N      1.13274751     -0.23255020      0.15970964
+C      1.92832888      0.51211501     -0.67957077
+O      1.77807716      0.50733517     -1.90220899
+C      3.00042990      1.30485012      0.00176138
+C      4.27113262      1.60970308     -0.78656157
+C      3.27745552      2.69583832     -0.52523917
+O      3.53175694      3.66798492      0.46398122
+H      1.13641796     -0.07334625      1.16120935
+H      0.31674181     -0.67638123     -0.25153173
+H      3.11997488      1.19502830      1.08109992
+H      4.31351654      1.19818659     -1.79565068
+H      5.19685790      1.62169822     -0.21180144
+H      2.64907363      3.01541942     -1.36322741
+H      4.15885876      4.31115853      0.08759027 
+
+16
+-1641.4501375846032 10.729738 11.74976 -9.2964 -7.321 -10.667 0.7002 -0.2691 0.586 9.58243 0.09253 4.3560497324 12.8474045228 0.206174677
+N      1.34110227     -0.39604495     -0.52646211
+C      1.75001573      0.43404279      0.48794832
+O      1.31462563      0.32642513      1.63400559
+C      2.78569093      1.47862677      0.10719182
+C      2.47384509      2.95254231      0.50927249
+C      3.95521229      3.11725471      0.93604930
+C      4.05209033      1.57155860      1.01090348
+H      1.62699545     -0.24770352     -1.48692437
+H      0.60310401     -1.06566619     -0.33060039
+H      3.06578165      1.41109631     -0.95615144
+H      1.80178255      2.95862034      1.37865610
+H      2.07550808      3.61449812     -0.27148508
+H      4.57053357      3.52455112      0.12037515
+H      4.16168928      3.68635577      1.85232493
+H      4.96694814      1.08403157      0.64789621
+H      3.80886502      1.20091112      2.01644001 
+
+15
+-1513.2129189403236 10.148399 10.97461 -8.9822 -6.9224 -10.397 0.7746 -0.208 0.617 9.55852 0.05138 4.35562818 6.8240530554 0.139903115
+N      1.29383715     -0.02746053      0.72532141
+C      2.09665178      0.21370500     -0.34862640
+O      1.97105376     -0.30579355     -1.45768477
+C      3.19234027      1.23801665     -0.06647398
+C      2.91286344      2.69747051     -0.53072418
+C      3.47344341      3.13320597      0.84300002
+N      3.29430165      1.73478439      1.33808954
+H      1.45270946      0.52715660      1.56589414
+H      0.48204585     -0.62551451      0.62032368
+H      4.13421124      0.84922192     -0.49007346
+H      1.83937891      2.89723525     -0.64059420
+H      3.44189049      3.03751228     -1.42669694
+H      4.52925836      3.44731250      0.77894681
+H      2.90911171      3.88791744      1.41062472
+H      4.08953249      1.36247007      1.86265361 
+
+14
+-1444.039546692177 9.414932 10.33079 -9.2456 -7.1859 -10.714 0.8702 -0.1401 0.511 9.72322 0.14032 4.4001267554 6.794494793 0.144337812
+N      1.30151828      0.08089640      0.92475236
+C      1.97472672      0.31793421     -0.23438388
+O      1.67157674     -0.13535386     -1.33691784
+C      3.17564951      1.24681935     -0.07968855
+C      2.98330539      2.69491649     -0.58602519
+C      3.33749755      3.10666338      0.85453010
+O      3.41946010      1.70965336      1.28641181
+H      1.66579576      0.46767816      1.79195897
+H      0.52005821     -0.56585978      0.92271971
+H      4.05573478      0.72813745     -0.49423813
+H      1.95878781      2.92468805     -0.90084618
+H      3.68479487      3.01402006     -1.36422812
+H      4.30865873      3.61214436      0.97475126
+H      2.56486556      3.65645238      1.41364369 
+
+15
+-1507.140385130476 10.132172 10.90763 -9.0755 -6.8585 -10.513 0.7319 -0.3062 0.529 9.66565 0.142 4.3291819662 12.1079520188 0.132377022
+N      0.85369169      0.21027948     -0.12328801
+C      2.10254234      0.11227284      0.44103738
+O      2.41656506     -0.81312931      1.18539547
+C      3.11259831      1.16654540     -0.00801618
+C      2.67148985      2.65683900     -0.06833796
+N      3.29080324      2.86427348      1.26410803
+C      4.08480987      1.60995349      1.11173754
+H      0.54384984      1.07194949     -0.55772304
+H      0.14421819     -0.43306011      0.21547046
+H      3.58820352      0.78315737     -0.92211913
+H      1.59228393      2.88598902     -0.10289833
+H      3.16694916      3.19015829     -0.90048322
+H      3.84492134      3.71890123      1.34961075
+H      5.11023715      1.76185128      0.73190006
+H      4.11017652      0.96653905      2.00203617 
+
+14
+-1439.5145985294307 9.469197 10.36662 -9.5963 -7.3592 -10.944 0.571 -0.4316 0.343 9.83383 0.30396 4.3552190262 6.777632697 0.122275567
+N      1.22025160     -0.34179357     -0.45654243
+C      1.73373184      0.45590334      0.53359209
+O      1.37553335      0.36423174      1.70589545
+C      2.78622745      1.45764171      0.08359331
+C      2.60069506      2.91314975      0.57570420
+O      3.94926649      2.95592326      1.11990142
+C      4.07892158      1.51846149      0.93221930
+H      1.48421247     -0.23560344     -1.42883137
+H      0.49373000     -1.00722078     -0.21093997
+H      2.99335949      1.40056546     -0.99413422
+H      1.84024016      2.99943585      1.36902039
+H      2.44465900      3.67914299     -0.19879130
+H      5.01653988      1.25277803      0.42124405
+H      3.98568162      0.97516414      1.88692909 
+
+16
+-1639.0823691965174 10.763456 11.98369 -9.309 -7.2811 -10.695 0.6964 -0.2775 0.554 9.65819 0.10259 4.3431179926 11.810534402 0.216439156
+N      1.84045462      1.03228690     -1.56699670
+C      2.50279255      0.04451329     -0.88081791
+O      2.51851421     -1.12179247     -1.26670875
+C      3.18059632      0.48544492      0.41818222
+C      4.60353950     -0.02723385      0.50754235
+C      5.74671322      0.80653550     -0.01991177
+C      5.57539265      0.60651616      1.47088705
+H      1.92150431      2.00957184     -1.31335958
+H      1.41373881      0.78988754     -2.45625237
+H      2.57923462      0.06340914      1.24144799
+H      3.16096335      1.58137446      0.53530071
+H      4.68620403     -1.10581547      0.36057561
+H      5.51462287      1.79235266     -0.42765789
+H      6.56897014      0.29486062     -0.52021648
+H      6.28284364     -0.04024883      1.99082833
+H      5.22817516      1.45840757      2.05863720 
+
+15
+-1508.7826373738953 10.252376 11.31941 -9.4531 -7.368 -10.836 0.7503 -0.2463 0.458 9.76892 0.19123 4.3508299218 11.4889271166 0.155234095
+N      1.20955898      0.11066714     -0.73043781
+C      2.39512374     -0.48979453     -0.38827032
+O      2.77147104     -1.53827311     -0.90768996
+C      3.20547336      0.23156253      0.68730755
+C      4.68561952      0.23173105      0.36946099
+C      5.33546002      1.37756767     -0.31936963
+N      5.50251043      1.18963013      1.14182392
+H      0.86330070      0.93033641     -0.24623812
+H      0.59124154     -0.38264299     -1.36740240
+H      3.03875544     -0.31229314      1.63279074
+H      2.86218992      1.26478408      0.84629011
+H      5.09795917     -0.75989276      0.16467197
+H      4.73919396      2.25092752     -0.59679984
+H      6.17760986      1.16607611     -0.98232516
+H      6.42315233      0.78238388      1.33246797 
+
+14
+-1440.5790868907222 9.541557 10.63959 -9.5865 -7.5322 -11.008 0.6407 -0.3745 0.288 9.93845 0.35028 4.3441966708 11.9159968936 0.173138931
+N      1.79493782      0.85039346     -1.09041593
+C      2.87241520      0.00667342     -0.99980079
+O      3.48201320     -0.39061404     -1.98954511
+C      3.25766219     -0.40794457      0.42074455
+C      4.76014090     -0.42725444      0.59996477
+C      5.47456863      0.67515696      1.26203294
+O      5.22971808     -0.56758361      1.95531171
+H      1.24679472      1.11417169     -0.28041163
+H      1.44716403      1.08025978     -2.01657539
+H      2.86947281     -1.42864347      0.57543325
+H      2.79845075      0.23662910      1.18482008
+H      5.30299707     -1.02447012     -0.13985735
+H      4.90620256      1.53438773      1.63556811
+H      6.52163205      0.87127812      1.01058079 
+
+14
+-1505.0400621500694 12.961316 12.40344 -8.9693 -7.0658 -9.076 -0.2663 -1.8536 -0.815 8.56149 1.35787 4.0552596964 4.6237231078 0.817358933
+N      2.63287766     -1.34436166     -1.05781119
+C      3.02556714     -0.49654546     -0.04249367
+O      2.99739510     -0.84149132      1.14045747
+C      3.44691493      0.85520929     -0.49924174
+C      3.85687357      1.78859221      0.38726434
+C      4.28615422      3.12321456      0.03419138
+C      4.69191813      4.03808804      0.93706954
+H      2.81539550     -1.12526424     -2.03064349
+H      2.44728149     -2.31101570     -0.80947317
+H      3.41945047      1.08400451     -1.56965938
+H      3.86021444      1.50539929      1.44579850
+H      4.27392056      3.38667386     -1.02910511
+H      4.71527084      3.80648317      2.00421432
+H      5.00910595      5.03634345      0.63539221 
+
+12
+-1345.6218103467997 12.167483 12.02694 -9.355 -7.4014 -9.336 -0.3959 -2.0462 -0.775 8.89127 1.26927 3.8170701918 4.3390884476 0.321213197
+N      1.27523686     -0.20354844     -0.84364760
+C      2.52566652     -0.15457543     -0.27496412
+O      3.04165072     -1.13476019      0.26420390
+C      3.19167816      1.17618648     -0.36828303
+C      4.42522613      1.34426414      0.15577099
+C      5.15501669      2.55082995      0.12891717
+C      5.81790070      3.57273398      0.12707557
+H      0.84678969      0.59915401     -1.28892567
+H      0.76921472     -1.08239447     -0.81362971
+H      2.67832774      2.00623593     -0.86015856
+H      4.88621664      0.47290702      0.63562444
+H      6.39685543      4.47359701      0.12291661 
+
+14
+-1499.1033232142404 11.381331 11.61655 -9.3761 -7.3539 -9.439 0.1133 -1.5065 -0.388 8.96982 0.93459 4.07108031 5.8419847466 0.299402209
+N      2.79167881     -0.97718964     -0.36333386
+C      2.14221741      0.17060221      0.03339066
+O      0.95150194      0.17633226      0.33853418
+C      3.01662407      1.40896061      0.08048745
+C      2.40095665      2.59769529      0.21826770
+C      4.48297816      1.26938725     -0.01102833
+C      5.27798209      2.01708132     -0.79296763
+H      3.67939058     -0.91813529     -0.85288618
+H      2.20490945     -1.78718584     -0.54101357
+H      1.31262239      2.63480094      0.27805874
+H      2.97046357      3.52372871      0.29644483
+H      4.93575171      0.49049332      0.61382934
+H      4.86545364      2.77677463     -1.46046815
+H      6.36071955      1.88539423     -0.79021517 
+
+12
+-1340.151719896277 11.14319 11.44349 -9.4894 -7.4081 -9.256 -0.0773 -1.7287 -0.471 8.82157 0.95245 4.0114802398 6.2906032904 0.194310503
+N      1.19418404     -0.07493265     -0.65394346
+C      2.37404330     -0.04310521      0.05299966
+O      2.80137112     -0.99586039      0.69318653
+C      3.08760597      1.30162628      0.03435366
+C      2.40184832      2.46164417      0.14015278
+C      4.50743233      1.25263206     -0.01296334
+C      5.71977078      1.19429970     -0.08129569
+H      1.02378641      0.60368515     -1.38858035
+H      0.74506670     -0.98292413     -0.73574122
+H      1.31427398      2.46562457      0.21217953
+H      2.92217235      3.41747772      0.19781506
+H      6.78785471      1.13708272     -0.13086316 
+
+12
+-1343.999662477233 12.339869 12.59944 -9.4976 -7.4799 -9.369 -0.331 -1.9619 -0.735 8.91375 1.25137 3.4011591548 6.0499092686 0.467736458
+N      1.01426289     -0.04886441      0.00000000
+C      2.38665405     -0.07713814      0.00000000
+O      3.04251333     -1.11889648      0.00000000
+C      3.01246597      1.23387498      0.00000000
+C      3.60864053      2.30036973      0.00000000
+C      4.36212342      3.49817311      0.00000000
+C      3.82824730      4.73543838      0.00000000
+H      0.50120221      0.82498027      0.00000000
+H      0.51526845     -0.93250004      0.00000000
+H      5.45045242      3.37789351      0.00000000
+H      2.74859009      4.88927381      0.00000000
+H      4.46812935      5.61745528      0.00000000 
+
+10
+-1187.373620427449 12.257064 12.38917 -9.5951 -7.637 -9.397 -0.3551 -2.0647 -0.712 8.98884 1.31482 2.9386789762 8.348101366 1.202590858
+N      1.00533514     -0.02156750      0.00000000
+C      2.37454932     -0.05959692      0.00000000
+O      3.03291802     -1.09893521      0.00000000
+C      3.01466837      1.24524689      0.00000000
+C      3.66685828      2.28232732      0.00000000
+C      4.37415111      3.43942032      0.00000000
+C      5.00752618      4.48291628      0.00000000
+H      0.49882891      0.85655087      0.00000000
+H      0.49835551     -0.90096849      0.00000000
+H      5.56759917      5.39541643      0.00000000 
+
+16
+-1641.587154688637 11.548558 12.50898 -9.3511 -7.2643 -9.633 0.7062 -0.2866 0.488 9.68861 0.18037 4.3411714124 6.649927117 0.475962591
+N      1.19518896     -0.32922319      0.57644208
+C      2.38989906     -0.20166361     -0.08740562
+O      2.84550351     -1.10093216     -0.78965821
+C      3.09548866      1.14146496      0.10315101
+C      4.62505927      0.99474915      0.13235169
+C      5.32570565      2.31908735      0.07755501
+C      6.14808011      2.79858170      1.01784002
+H      0.78143708      0.44003611      1.08974390
+H      0.63455470     -1.15612839      0.39515103
+H      2.73981010      1.65375251      1.01079543
+H      2.80212039      1.77349288     -0.75335991
+H      4.91141795      0.37218090     -0.73131326
+H      4.92917500      0.44338800      1.03601333
+H      5.13078267      2.92747486     -0.81468200
+H      6.37086315      2.22701472      1.92292801
+H      6.63211374      3.77093421      0.91368749 
+
+14
+-1485.7967536474366 10.937574 12.16585 -9.6063 -7.5121 -9.932 0.6564 -0.334 0.402 9.78986 0.26402 4.3457216986 10.7542480736 0.5564386
+N      1.15101887     -0.52174716     -0.17856975
+C      2.51877543     -0.62027183     -0.17429248
+O      3.09891261     -1.69671517     -0.29131177
+C      3.24938165      0.71350837     -0.00924478
+C      4.77467847      0.53534556     -0.02852725
+C      5.48180026      1.79945768      0.12928974
+C      6.05498670      2.86170159      0.26133338
+H      0.67044745      0.36592468     -0.09175722
+H      0.60661868     -1.37092380     -0.28933207
+H      2.93628685      1.18211684      0.93737951
+H      2.93910174      1.39964203     -0.81334532
+H      5.07381895      0.05179638     -0.97132622
+H      5.07018067     -0.16413707      0.76862541
+H      6.56757166      3.79449190      0.37746884 
+
+11
+-1253.2254008345312 10.589468 10.73276 -10.1508 -8.2243 -10.531 -0.9231 -2.6986 -1.413 10.07179 1.73998 3.9601996302 5.0521939266 0.400073901
+N      1.28519046     -0.16654478     -0.84957469
+C      2.53114303     -0.14156511     -0.27901415
+O      3.04812750     -1.12697666      0.24444341
+C      3.21202504      1.19039439     -0.34683618
+C      4.44184023      1.32660712      0.18346600
+C      5.16788076      2.54537106      0.16896966
+N      5.78821075      3.53782044      0.17064228
+H      0.86506682      0.64870819     -1.28039332
+H      0.76853363     -1.04017088     -0.83848490
+H      2.71138736      2.03708915     -0.82238740
+H      4.91034442      0.45486708      0.65131928 
+
+11
+-1247.9763765532557 9.856141 10.27073 -10.1373 -8.1842 -10.509 -0.6171 -2.3806 -1.051 10.05518 1.55515 4.086330588 10.5322759378 0.283417225
+N      1.18160378     -0.12167497     -0.61506106
+C      2.38705967     -0.07767334      0.04024752
+O      2.86276976     -1.01589353      0.66525515
+C      3.08082112      1.27436088      0.00429240
+C      2.42176721      2.44248246      0.13918766
+C      4.50905212      1.23820873     -0.07129843
+N      5.67340551      1.22191654     -0.16830359
+H      0.97369667      0.54671700     -1.34941087
+H      0.73474573     -1.03304595     -0.67072465
+H      1.33579033      2.46191326      0.22963350
+H      2.95698810      3.38985893      0.19713236 
+
+9
+-1090.6559631194375 10.651053 11.00382 -10.3807 -8.5187 -10.663 -0.8795 -2.7556 -1.38 10.04903 1.71911 3.3152120596 10.6611469862 1.304114759
+N      1.00941018     -0.00980861      0.00000000
+C      2.37350529     -0.05142580      0.00000000
+O      3.04574787     -1.07896874      0.00000000
+C      3.02191188      1.25611251      0.00000000
+C      3.68596607      2.28125052      0.00000000
+C      4.40034852      3.44154307      0.00000000
+N      5.00707356      4.44713222      0.00000000
+H      0.50218790      0.86831861      0.00000000
+H      0.49901872     -0.88774377      0.00000000 
+
+13
+-1397.1074783269785 9.779825 10.94947 -10.0384 -8.0195 -11.184 0.4802 -0.554 0.116 10.10217 0.53827 4.3553554108 11.5562515146 0.323157928
+N      1.29380428     -0.53647158     -0.35949792
+C      2.64740254     -0.61070238     -0.54620173
+O      3.18412158     -1.53751296     -1.14708215
+C      3.43647205      0.55463724      0.05770249
+C      4.93942536      0.39262655     -0.20762689
+C      5.71313447      1.49276028      0.35678268
+N      6.31411143      2.38152554      0.81484831
+H      0.85347562      0.23317972      0.13091543
+H      0.71316147     -1.27720942     -0.73922345
+H      3.24418129      0.60313626      1.14069207
+H      3.07426303      1.50245987     -0.36957970
+H      5.12904341      0.33491037     -1.28930246
+H      5.29849347     -0.55680948      0.21532332 
+
+16
+-1594.1201140857872 10.233177 11.111 -9.4098 -7.1307 -10.86 0.5327 -0.4937 0.235 9.87724 0.43772 4.3840333726 6.7473925116 0.127350028
+N      0.75012521      0.31621056      0.92108727
+C      1.66890778     -0.47553023      0.29272674
+O      1.39026209     -1.63715771     -0.02692440
+C      3.01044213      0.18715573     -0.00050895
+C      4.25730490     -0.69832916      0.18299619
+C      4.49027460     -1.77607328     -0.88552827
+O      3.69695595     -2.94146192     -0.74324118
+H      0.93844577      1.28339695      1.15478023
+H     -0.18353719     -0.05569095      1.06732131
+H      3.11158456      1.09569666      0.61349232
+H      2.96054946      0.52822136     -1.05017941
+H      4.24345044     -1.17661957      1.17566192
+H      5.12888610     -0.02315800      0.16853039
+H      5.53881998     -2.10829802     -0.82270567
+H      4.36076341     -1.31496756     -1.88950742
+H      2.77340483     -2.63269486     -0.58025107 
+
+14
+-1450.3448407221558 10.552993 11.15213 -9.4423 -7.4846 -10.078 0.5425 -1.1593 -0.339 9.49239 0.88818 4.1286346112 5.5219892792 0.392429908
+N      1.67296208     -0.62946339     -0.07761908
+C      3.01802095     -0.37888738      0.09924563
+O      3.81172777     -1.26917751      0.40608610
+C      3.41331700      1.03837690     -0.14712047
+C      4.67965615      1.43451178      0.04397938
+C      5.20156522      2.81864207     -0.17643239
+O      4.27319685      3.74502108     -0.73356983
+H      1.00288126      0.13005022     -0.12908384
+H      1.33524967     -1.54483359      0.20407857
+H      2.65375878      1.75699654     -0.46839666
+H      5.40251189      0.68386049      0.38409321
+H      6.12539573      2.75854756     -0.78558383
+H      5.50992017      3.24771287      0.79267672
+H      4.07125647      3.45020236     -1.63961352 
+
+12
+-1317.997316765369 10.312337 10.44495 -10.0074 -7.9 -10.89 -1.0469 -2.8831 -1.733 10.36629 2.01103 3.2640678346 5.1565405442 0.510075175
+N      1.28647631     -0.28695629      0.04417856
+C      2.65776171     -0.23357313      0.04481400
+O      3.36336187     -1.24060918      0.08625905
+C      3.21287362      1.15413951     -0.01044447
+C      4.53951780      1.37311843     -0.00595283
+C      5.10846789      2.74037926     -0.05885377
+O      4.44367008      3.76658005     -0.11208243
+H      0.70934220      0.54544844      0.01576491
+H      0.84036273     -1.19769776      0.08495926
+H      2.53597872      2.01335934     -0.05466546
+H      5.22325184      0.52071314      0.03812935
+H      6.22447524      2.78811818     -0.04731617 
+
+14
+-1448.2544848787486 10.115477 10.72204 -9.5656 -7.5752 -10.115 0.4954 -1.2092 -0.399 9.70734 0.89648 4.1060815578 5.5477659686 0.284828446
+N      0.89520087      0.67820958      0.13075872
+C      2.23325141      0.61599717     -0.18143777
+O      2.74285959     -0.37892107     -0.70081446
+C      3.04016074      1.85069209      0.12259353
+C      2.52691985      3.08842887      0.04898895
+C      4.49812676      1.57857853      0.42895012
+O      5.31205263      2.74383673      0.51308626
+H      0.55743540      1.36612870      0.79485109
+H      0.36621381     -0.18260282      0.02329914
+H      1.49073490      3.26645970     -0.23984616
+H      3.15564027      3.95711491      0.25147109
+H      4.87408099      0.85518386     -0.31448263
+H      4.57759481      1.08255709      1.41041259
+H      5.42743797      3.08891666     -0.39010046 
+
+12
+-1316.4444268732414 9.694275 10.07606 -9.6403 -7.5769 -10.839 -0.6875 -2.5115 -1.301 10.38811 1.82374 3.4053746788 5.543662032 0.347445859
+N      1.02298102      0.28920722     -0.17633257
+C      2.33022456      0.27192828      0.24234515
+O      2.84119598     -0.69210653      0.81329433
+C      3.12397450      1.52400432      0.00338534
+C      2.62981502      2.76791051      0.13531304
+C      4.58886626      1.32463956     -0.25986616
+O      5.34659973      2.23255110     -0.56002092
+H      0.71204031      0.96566102     -0.86491549
+H      0.50707928     -0.58316016     -0.10064591
+H      1.58397309      2.95955144      0.37838932
+H      3.30459863      3.62113250      0.03415638
+H      4.93716162      0.27186076     -0.16420251 
+
+12
+-1289.6604285011656 10.374125 11.45807 -9.755 -7.8245 -10.381 0.6207 -1.1838 -0.302 9.67782 0.85186 3.8003444804 10.9348088854 0.41274217
+N      0.99954261     -0.00166682      0.00401651
+C      2.37072742     -0.06537113     -0.04550445
+O      3.00148399     -1.11857908     -0.11954744
+C      3.03090186      1.23151284     -0.03094924
+C      3.66082686      2.27382494     -0.00061274
+C      4.40556671      3.52796460     -0.00459393
+O      3.59660183      4.68545774     -0.24612821
+H      0.53052360      0.86905173      0.22983305
+H      0.49393912     -0.87669605      0.10607574
+H      5.23250660      3.45203211     -0.73549492
+H      4.86494583      3.68457563      0.98372334
+H      3.14082357      4.55157349     -1.09661771 
+
+10
+-1154.3453856019141 10.141426 10.78904 -10.245 -8.31 -10.949 -1.1094 -3.0146 -1.79 10.38589 2.08421 3.172429782 7.5835664942 0.279483278
+N      1.02003424      0.02517964      0.00000000
+C      2.38402543     -0.06816477      0.00000000
+O      3.01012410     -1.12477614      0.00000000
+C      3.06494494      1.22578675      0.00000000
+C      3.68432963      2.27676672      0.00000000
+C      4.46803237      3.49008232      0.00000000
+O      3.98080856      4.61142653      0.00000000
+H      0.55028169      0.92397818      0.00000000
+H      0.47561196     -0.83202270      0.00000000
+H      5.57078709      3.32716347      0.00000000 
+
+14
+-1462.3569893079812 9.59828 10.32397 -9.3811 -7.3349 -10.749 0.6624 -1.3831 -0.534 10.58736 1.16363 3.7027303026 8.213700542 0.224304324
+N      1.73401926     -1.72937832      0.26888532
+C      2.17401195     -0.60944779      0.92302343
+O      1.68480565     -0.20675212      1.97760440
+C      3.32278748      0.13191399      0.22832115
+C      4.70307816     -0.42253254      0.60079966
+C      5.11175932     -1.69581877     -0.09066911
+O      4.43357543     -2.31448144     -0.89588995
+H      2.32409535     -2.14376968     -0.45127000
+H      1.07172432     -2.32146012      0.76230276
+H      3.25298327      1.17596101      0.55606693
+H      3.19910995      0.09942459     -0.86444610
+H      4.79568241     -0.58951953      1.68983305
+H      5.49704236      0.31262790      0.37205563
+H      6.13555509     -2.06181716      0.17532283 
+
+15
+-1504.1090979518578 10.309982 11.17915 -9.2371 -7.2007 -10.594 0.8624 -0.0566 0.675 9.57665 -0.02583 4.372676255 6.8140349866 0.144963005
+N      2.63539034     -1.08967571      0.74564477
+C      2.17538097     -0.08791659     -0.05518506
+O      1.09767257     -0.10884439     -0.64622928
+C      3.10976141      1.12573868     -0.14214511
+N      4.46991102      0.84206299      0.31881725
+C      5.44601608      0.53519109     -0.73983099
+C      5.47684137      1.84947414     -0.03559762
+H      3.53666154     -0.98009546      1.20424398
+H      2.06320038     -1.91515234      0.88475231
+H      2.67689793      1.90528251      0.50590871
+H      3.06167105      1.50031932     -1.18244523
+H      5.08357969      0.52770032     -1.77247449
+H      6.17975865     -0.23579397     -0.49616682
+H      6.23232773      2.04979497      0.72683433
+H      5.13945926      2.72386444     -0.60051675 
+
+12
+-1320.846488662824 9.840495 10.18077 -9.3217 -7.3497 -10.71 -0.927 -2.7505 -1.709 10.01602 2.24402 2.9516231146 5.0426222074 0.342736486
+N      2.29440881     -1.39767912      0.74558925
+C      3.60083750     -1.11209124      0.52387694
+O      4.51195895     -1.93228272      0.41791777
+C      3.84991898      0.41840006      0.41161264
+O      2.90647433      1.20032567      0.50553818
+C      5.25771765      0.81299008      0.19063601
+C      5.60237701      2.10553770      0.07804386
+H      1.63415388     -0.62615473      0.80059025
+H      1.99058203     -2.36116050      0.82700562
+H      5.98333743      0.00117920      0.12751576
+H      4.84121731      2.88640854      0.14741133
+H      6.63712612      2.40904706     -0.08345762 
+
+10
+-1156.5512001412308 9.369386 9.86168 -9.6889 -7.7218 -10.971 -1.0848 -2.9622 -1.851 10.28767 2.2913 3.037595007 6.1267805886 0.212693403
+N      1.17175247     -0.20298774      0.52337696
+C      2.12468347      0.00596638     -0.41884368
+O      2.53989833     -0.80991058     -1.23431739
+C      2.66938854      1.46021553     -0.36136100
+O      2.25066186      2.26981528      0.46012552
+C      3.68646258      1.77819884     -1.33039444
+C      4.54476179      2.09197531     -2.13131123
+H      0.91807983      0.56137221      1.14391651
+H      0.72927840     -1.11155693      0.60227961
+H      5.30061273      2.36407169     -2.84114088 
+
+14
+-1448.8692518718412 10.134688 10.73261 -9.2805 -7.2258 -9.877 1.0737 -0.4719 0.355 9.72128 0.32471 4.3491561108 6.6790390298 0.267533564
+N      1.78266502     -0.67777580      0.72425751
+C      2.84772760     -0.46443956     -0.09571564
+O      3.39369255     -1.32752343     -0.77786329
+C      3.33267914      1.01139230     -0.12872979
+O      2.61789634      1.86302580      0.77207111
+C      4.82883926      1.06733406      0.02552237
+C      5.48833596      2.03584395      0.67024658
+H      1.32110845      0.12432273      1.14366352
+H      1.33330639     -1.58727257      0.71157293
+H      3.06777513      1.36100711     -1.14422039
+H      3.12720730      1.87547849      1.60543366
+H      5.35765269      0.22743348     -0.43132981
+H      4.97942826      2.90034248      1.10354461
+H      6.57359590      2.00440094      0.76625663 
+
+12
+-1288.2613349098995 9.703417 10.43357 -9.5288 -7.4709 -10.165 0.997 -0.4468 0.339 9.7484 0.28494 4.3214824356 10.9595316938 0.272500767
+N      1.97541695     -0.79691119      1.09188820
+C      2.48468334     -0.27479292     -0.05327880
+O      2.45853424     -0.80559863     -1.15612410
+C      3.15257347      1.12081710      0.13721485
+O      2.75710406      1.69409739      1.40174944
+C      4.60112982      1.01404357      0.01879928
+C      5.81276136      0.97434106     -0.03347202
+H      1.95490575     -0.22356401      1.93044570
+H      1.46177600     -1.67005354      1.04240466
+H      2.76473036      1.73900021     -0.69251846
+H      3.50492186      2.22622893      1.72543581
+H      6.88098278      0.92018202     -0.09234455 
+
+14
+-1444.3685500027857 10.239142 10.92825 -9.342 -7.175 -9.909 0.8009 -0.1454 0.532 9.73748 0.10753 4.390716218 6.468101648 0.338096976
+N     -0.23725869      1.20314525      0.85937712
+C      0.84942882      1.59704668      0.14159513
+O      0.94168364      2.66534786     -0.45715523
+C      2.01647303      0.61271152      0.11253402
+O      1.71096632     -0.57911709      0.84714209
+C      2.70083204     -1.52124675      0.91743701
+C      3.92637507     -1.47103401      0.37775598
+H     -0.25369393      0.29859646      1.31837052
+H     -1.04111716      1.82008188      0.89925750
+H      2.89747730      1.11753263      0.54276881
+H      2.23565779      0.37357776     -0.94140259
+H      2.35317520     -2.37455300      1.50274430
+H      4.29615412     -0.63401427     -0.21080213
+H      4.59477645     -2.31475492      0.53463747 
+
+15
+-1518.9659227797574 10.244596 11.0473 -8.9286 -7.0076 -10.219 0.7697 -0.2253 0.709 9.66112 -0.08303 4.7072772732 12.378638254 0.115734891
+N      3.21314987     -1.05673066     -0.42900763
+C      2.56337476      0.05353533      0.11630347
+O      1.38618849      0.03510245      0.47617235
+N      3.34824853      1.18873485      0.18986413
+C      2.78162213      2.54942087      0.28352089
+C      4.03242157      3.08198380     -0.47031915
+C      4.44278112      1.60600933     -0.71953117
+H      4.21994737     -1.11922215     -0.29753099
+H      2.71752053     -1.92345020     -0.23747675
+H      2.63900870      2.90346823      1.31417336
+H      1.83072742      2.64513812     -0.26304249
+H      3.82807207      3.67309958     -1.36979172
+H      4.73433405      3.62691742      0.17162266
+H      4.29528798      1.25846034     -1.75556905
+H      5.45078541      1.31930269     -0.37965791 
+
+15
+-1522.346336290671 10.303993 11.24655 -9.2366 -7.2776 -10.492 0.8118 -0.1435 0.686 9.7635 -0.09908 4.7574420088 6.3997357676 0.13280236
+N      2.69531467     -0.13228755      0.97780343
+C      2.53095228      0.52059608     -0.23608559
+O      1.42985225      0.72862312     -0.74329541
+N      3.71349058      0.94856829     -0.83673857
+C      4.97366699      1.04784967     -0.15561638
+C      5.85117046     -0.18863544     -0.05643475
+C      6.22376920      0.93965885     -0.98730947
+H      3.59468493     -0.56230729      1.17672279
+H      1.87563726     -0.65863912      1.26373013
+H      3.53281559      1.61575977     -1.58423011
+H      5.01108396      1.73645368      0.69668425
+H      5.47113460     -1.10079549     -0.51762119
+H      6.43883555     -0.32830122      0.85146420
+H      7.06458187      1.57982315     -0.72237395
+H      6.09211981      0.76472349     -2.05515938 
+
+15
+-1523.2040311170483 11.145271 11.8414 -9.3225 -7.3111 -9.752 0.8454 -0.3454 0.573 9.71266 0.05524 4.6877370796 6.6966202446 0.334111613
+N      1.37188424      2.71932240      1.07349199
+C      2.31722472      2.20942909      0.17651927
+O      2.01587747      1.44826913     -0.74094102
+N      3.61414935      2.62410813      0.43672532
+C      4.73978065      2.01894799     -0.27060033
+C      5.79781909      3.03485074     -0.58838880
+C      7.08010062      2.92736306     -0.22289684
+H      1.54311788      3.65312388      1.44048061
+H      0.42361712      2.59167598      0.72831524
+H      3.80918336      3.00269276      1.36010546
+H      4.31150475      1.59415799     -1.19190428
+H      5.17356484      1.18062001      0.30321310
+H      5.46129567      3.90506066     -1.16226754
+H      7.43585209      2.06994024      0.35477433
+H      7.81880814      3.68141795     -0.49734652 
+
+13
+-1364.712881481513 10.509782 11.47805 -9.5423 -7.4993 -9.989 0.7137 -0.3572 0.504 9.85006 0.09954 4.4017261748 10.9355404028 0.380025352
+N      0.99708588     -0.31365491     -0.34587402
+C      2.31840021     -0.26816337      0.10632927
+O      2.74865869     -1.00944790      0.98780002
+N      3.08915875      0.70227380     -0.51627072
+C      4.41979264      0.99310368      0.01356021
+C      5.30215363      1.54629777     -1.00795070
+C      6.03391267      2.03662109     -1.84205841
+H      0.83734133     -0.08625264     -1.32475475
+H      0.52861598     -1.16600807     -0.04861315
+H      2.60957549      1.47089332     -0.97791011
+H      4.81658356      0.04385904      0.40388642
+H      4.37426928      1.68735328      0.87319099
+H      6.68857189      2.45505489     -2.57916505 
+
+14
+-1451.8238176543666 9.601133 10.72053 -10.0089 -7.8589 -11.427 0.8698 -0.111 0.347 10.37799 0.20757 4.8842176938 11.8625961234 0.257954182
+N      1.32166824      2.04293865     -1.45615074
+C      2.45151231      2.17041844     -0.68304546
+O      2.63547853      3.02304958      0.16747044
+O      3.35874557      1.19668394     -1.04082450
+C      4.62178759      1.29434889     -0.38287289
+C      5.69449511      0.42198525     -0.94902227
+C      5.75957115      1.93090973     -1.12511600
+H      1.17483330      1.16820219     -1.94933260
+H      0.50215214      2.53061161     -1.11296657
+H      4.53860007      1.44304984      0.69366526
+H      5.43462405     -0.16548811     -1.82964343
+H      6.37959682     -0.06433951     -0.25480979
+H      6.48469415      2.50514170     -0.54862037
+H      5.54157097      2.32107781     -2.11902107 
+
+14
+-1454.1670078411398 10.380353 11.09222 -9.9282 -7.697 -9.828 1.2387 -0.2951 0.349 9.32229 0.24289 4.8806344984 6.7310883526 0.466611132
+N      1.41638930      2.34097333     -0.31948462
+C      2.60363711      1.75410531     -0.65052700
+O      2.74821308      0.89242912     -1.50399532
+O      3.60570488      2.28930643      0.12642433
+C      4.93659404      1.74238183     -0.09667090
+C      5.89464539      2.85581001     -0.37073679
+C      7.00069957      3.08089433      0.34602426
+H      1.36675334      3.04694091      0.40397436
+H      0.58415204      2.04486942     -0.81077513
+H      4.87157906      1.04406541     -0.94505289
+H      5.21899539      1.18556476      0.80959528
+H      5.65785324      3.48729376     -1.23315078
+H      7.25102302      2.46430833      1.21310401
+H      7.69786053      3.87845705      0.08682117 
+
+12
+-1295.0765425271206 9.709957 10.56688 -10.342 -7.9593 -10.036 0.9527 -0.2527 0.235 9.66904 0.32134 4.4075907126 11.102512349 0.314711509
+N      1.41245750     -0.00899405      1.15911226
+C      2.56592665     -0.18340332      0.44104706
+O      2.76422976     -1.06462887     -0.37819919
+O      3.48924296      0.76465710      0.83172854
+C      4.76146554      0.69775457      0.13596906
+C      4.92591598      1.82037036     -0.77596236
+C      5.08772655      2.75195911     -1.53561922
+H      1.26221388      0.87765102      1.62859612
+H      0.60158594     -0.51139135      0.81747485
+H      4.81138069     -0.25727754     -0.40882110
+H      5.53847001      0.71474102      0.91417544
+H      5.22517453      3.56995193     -2.21327147 
+
+13
+-1365.4373255928422 10.384055 10.43215 -7.4472 -5.53 -7.932 0.5506 -0.4853 0.92 7.45964 -0.35252 4.6366176518 6.1788671072 0.455028453
+N      0.95050707     -0.24276848     -0.00561695
+N      2.34140071     -0.08162080      0.00818642
+C      3.11571054      1.07397544      0.12985944
+C      4.43290974      0.66573898      0.09718719
+C      4.47676896     -0.75831165     -0.04489552
+C      3.16573707     -1.18755413     -0.09590381
+O      2.62589736     -2.42452745     -0.22252028
+H      0.54971498      0.28102752     -0.78938457
+H      0.55239364      0.11733329      0.86694555
+H      2.65284267      2.04977236      0.22491063
+H      5.29332699      1.32452923      0.16738168
+H      5.35521023     -1.39115021     -0.10322023
+H      1.65235004     -2.28096411     -0.20852956 
+
+13
+-1372.831488969094 10.008531 10.2745 -8.2968 -6.4034 -8.964 1.2405 -0.4683 0.287 8.48761 0.38372 4.3690062694 5.5867843628 0.165821122
+N      1.08136411     -0.11253212     -0.08649688
+N      2.46761553     -0.05306140      0.13076966
+C      3.29631764     -1.19274295      0.14070339
+C      4.57578702     -0.84825870      0.37392627
+C      4.64519274      0.64689680      0.53810202
+C      3.19579561      1.11384313      0.36581066
+O      2.71807494      2.24096919      0.41146118
+H      0.86990356      0.50402605     -0.88009680
+H      0.62506128      0.31891276      0.72602880
+H      2.84012359     -2.16399685     -0.03019944
+H      5.41813338     -1.53010126      0.43337366
+H      5.01690353      0.96824139      1.52381069
+H      5.27820708      1.14482396     -0.21349320 
+
+13
+-1373.1855619027426 10.047441 10.23012 -9.006 -7.085 -10.088 0.5337 -1.1688 -0.408 9.28651 0.9063 4.1582672652 5.641115028 0.38817476
+N      1.15438518     -0.08972032      0.31090269
+N      2.55871043     -0.04661274      0.20601761
+C      3.31701577     -1.23457089     -0.14359266
+C      4.65243813     -0.66520358     -0.52454193
+C      4.61187564      0.67793811     -0.49279302
+C      3.24578070      1.12411644     -0.10569691
+O      2.75707831      2.25310180     -0.08338510
+H      0.80520869      0.71372601     -0.22899963
+H      0.90890054      0.11600528      1.28642106
+H      2.83924808     -1.77327172     -0.98111154
+H      3.39069738     -1.94056531      0.70258459
+H      5.50754859     -1.29381057     -0.76757290
+H      5.40979255      1.37940748     -0.72399226 
+
+15
+-1514.589898020098 10.183985 10.77855 -8.773 -6.806 -10. 0.8246 -0.1407 0.494 9.61432 0.18977 4.325003638 5.8201012176 0.113228956
+N      1.16814824      0.02231396      0.28668494
+N      2.45476050      0.07145693     -0.30201839
+C      3.28915159      1.25715822     -0.11173726
+C      4.59725754      0.83925408     -0.80935532
+C      4.64009161     -0.68907428     -0.63889727
+C      3.18457288     -1.09111257     -0.43535982
+O      2.70747197     -2.22116505     -0.33437776
+H      1.05872523     -0.96175872      0.57647953
+H      0.48054232      0.16081935     -0.46361624
+H      3.42593771      1.45920836      0.96617468
+H      2.82282958      2.14128315     -0.56896813
+H      4.54478027      1.09846752     -1.87632245
+H      5.46791809      1.35030377     -0.38059168
+H      5.07897967     -1.22851090     -1.48743194
+H      5.19393281     -0.99462383      0.26350710 
+
+13
+-1360.8209926728343 10.407183 10.57773 -7.6523 -5.7744 -8.103 0.7448 -0.2309 0.839 7.58636 -0.30127 4.7269786486 6.0566913028 0.390089807
+N      0.91704813     -0.17117553     -0.06114375
+N      2.32055385     -0.08672975     -0.00750957
+C      3.09434978      1.04016067      0.14520319
+C      4.42486160      0.64722679      0.14281140
+C      4.43994962     -0.76461938     -0.01734684
+O      5.60514716     -1.49742020     -0.06404445
+C      3.12905023     -1.20902300     -0.10957375
+H      0.58405541      0.40566129     -0.83948906
+H      0.53253075      0.21474091      0.80641997
+H      2.64043276      2.02103932      0.24281253
+H      5.29122780      1.29301686      0.24365836
+H      5.37513686     -2.43519263     -0.17930202
+H      2.69019606     -2.19210535     -0.23510601 
+
+15
+-1492.1324820892344 10.580356 11.07726 -7.985 -6.0249 -9.262 0.7745 -0.2004 0.894 8.81858 -0.27765 5.0067778548 5.7700976638 0.168116968
+N      1.32025585     -0.13545534      0.57686568
+N      2.35763701      0.08048661     -0.34389567
+C      2.87445731      1.24753506     -0.36064816
+C      2.54316182      2.48948486      0.43893989
+C      3.39271903      3.57576676     -0.23854573
+C      4.52429177      2.75275760     -0.86001444
+O      3.92660255      1.48962103     -1.22494294
+H      0.77539307     -0.92556452      0.23102901
+H      0.69039746      0.67145243      0.67738303
+H      2.82082488      2.33132868      1.49453622
+H      1.46599652      2.71664870      0.42070848
+H      2.81314768      4.07536041     -1.02827041
+H      3.76130203      4.34182732      0.45589467
+H      4.95001353      3.18960622     -1.77215548
+H      5.33743950      2.56933417     -0.13502414 
+
+13
+-1354.4865637722016 10.457086 10.59767 -8.068 -6.039 -8.929 1.5594 -0.115 0.761 8.59382 -0.19663 5.3014925768 12.091362692 0.200848933
+N      1.06789378      0.11611145      0.42774427
+N      2.36645291      0.02888006     -0.05899237
+C      3.01285491      1.11220704     -0.23183395
+C      4.45291217      1.27497844     -0.66463900
+C      4.58619637      2.77609031     -0.69827351
+C      3.41757930      3.31551562     -0.33494861
+O      2.42896408      2.38593931     -0.03452503
+H      0.54929466     -0.70144502      0.11138563
+H      0.58514383      0.98184102      0.16388954
+H      4.63648518      0.80302060     -1.64386987
+H      5.14211761      0.79871295      0.05227427
+H      5.48212575      3.32688153     -0.96752626
+H      3.10656945      4.35181668     -0.23004510 
+
+15
+-1485.3764236561003 10.671956 11.0965 -8.6174 -6.5916 -9.219 0.8074 -0.2103 0.817 8.73957 -0.14931 4.9054936914 5.6476738874 0.169842604
+N      1.21624850     -0.12951918      0.62815488
+N      2.38831602     -0.01528199     -0.09674174
+C      2.93566391      1.14220991     -0.16933926
+C      2.47803876      2.46629949      0.40644847
+C      3.53971348      3.43163958     -0.14606552
+O      4.71891216      2.63843662     -0.34855754
+C      4.26426089      1.37700059     -0.85703161
+H      0.70296098     -0.94950587      0.31067249
+H      0.61791261      0.70486273      0.62742891
+H      2.49345915      2.42538831      1.50856328
+H      1.45576493      2.74144153      0.09670718
+H      3.20063943      3.86679896     -1.10724088
+H      3.80534668      4.24803707      0.53772996
+H      4.13770572      1.42620893     -1.95871401
+H      5.01475678      0.61115331     -0.62149461 
+
+13
+-1351.261324247603 11.114837 10.54697 -7.7478 -5.8061 -8.532 0.6555 -0.9302 -0.199 8.09918 0.71911 4.5438141308 4.5438141308 0.307115157
+N      1.04209973     -0.07576610     -0.39126600
+N      2.36360185     -0.01743330      0.03498160
+C      2.92992134      1.14353186      0.05373248
+C      4.38881858      1.30765820      0.44773594
+O      4.65466274      2.74347578      0.35823210
+C      3.49691607      3.32994043     -0.05011079
+C      2.45498565      2.48755761     -0.24563525
+H      0.62381834     -0.92963284     -0.02422301
+H      0.47402701      0.73491456     -0.11645824
+H      5.08138273      0.79521374     -0.23605911
+H      4.59875656      0.99307752      1.48009396
+H      3.55886190      4.40956186     -0.17670507
+H      1.47255751      2.78318067     -0.59965861 
+
+13
+-1351.485162284945 11.104044 10.60562 -7.8133 -5.8699 -8.667 0.4277 -1.1968 -0.167 8.2233 0.65187 4.5814934762 4.8761710024 0.248807091
+N      1.11050667     -0.07794373     -0.43093974
+N      2.34195702      0.05768004      0.22180018
+C      2.86859184      1.22763622      0.24566868
+O      4.10894285      1.37181207      0.86086502
+C      4.51084562      2.74865418      0.75800754
+C      3.40216878      3.43407946      0.02324030
+C      2.44802685      2.53098390     -0.26385701
+H      0.70013795     -0.95442057     -0.10889506
+H      0.45127345      0.67984529     -0.21571579
+H      5.47520043      2.80450279      0.22025028
+H      4.66887561      3.15317799      1.77479117
+H      3.41360579      4.49126640     -0.23658121
+H      1.52847714      2.70675596     -0.81671436 
+
+15
+-1470.1429816376972 11.199493 11.73865 -8.3881 -6.3882 -9.153 1.3094 -0.1962 0.696 8.73467 -0.10541 4.89682707 5.53411511 0.184763344
+N      1.05310976      1.44944048     -1.29835448
+N      2.42275857      1.29626706     -1.28128133
+C      2.97982417      0.95320808     -0.17370177
+C      4.44951897      0.91406946     -0.01949498
+C      5.37390797      1.19906960     -1.19051616
+C      5.25577016      2.19900680     -0.07487831
+O      6.28907079      2.32247824      0.87663597
+H      0.69668499      1.25035519     -2.23154957
+H      0.55117478      0.90654884     -0.58257671
+H      2.37503656      0.71171967      0.72075271
+H      4.82424607      0.20528702      0.72207271
+H      4.89931756      1.43466943     -2.14316176
+H      6.29090892      0.61084412     -1.23470569
+H      4.68286018      3.11222327     -0.27135530
+H      7.02837056      2.79246275      0.45052470 
+
+15
+-1465.031811082677 10.926343 11.42804 -8.8065 -6.7953 -9.374 1.2638 -0.3647 0.669 8.91965 -0.07669 4.8649130736 5.647252335 0.180778157
+N      0.98925867      2.21820453     -0.43746078
+N      2.32022841      2.06069690     -0.71447639
+C      2.99049849      1.19744081     -0.03837564
+C      4.46346023      1.03655245     -0.23160338
+C      5.22413219      2.09590156     -1.04965796
+C      6.04685158      2.31346156      0.23248377
+O      5.21957596      1.37756621      0.98900077
+H      0.49155416      2.57483735     -1.24980379
+H      0.51953802      1.40901928     -0.01336370
+H      2.51724804      0.54954461      0.72178032
+H      4.69051341     -0.00864242     -0.51758723
+H      4.59183423      2.94030939     -1.34492246
+H      5.77444576      1.71601649     -1.91811465
+H      7.09325573      1.96747868      0.18141707
+H      6.01673511      3.32357260      0.67096407 
+
+15
+-1463.0356122160326 10.872213 11.35379 -8.8041 -6.7476 -9.379 1.1254 -0.3479 0.599 8.93649 -0.00444999999996 4.884118505 5.6113211922 0.184866672
+N      0.80943563      1.93468108     -0.42838310
+N      2.17500075      1.98322165     -0.56982185
+C      2.89368749      1.22792513      0.18166093
+C      4.37689026      1.15627445      0.03074565
+C      5.08430492      2.14102223     -0.92029870
+O      6.01116824      2.55779076      0.13023395
+C      5.26529713      1.81019724      1.12671230
+H      0.39515496      2.81911159     -0.71482214
+H      0.47486218      1.63718940      0.49697952
+H      2.43475364      0.59562234      0.96717151
+H      4.68235906      0.11242018     -0.14623885
+H      4.44339553      2.97032021     -1.25617531
+H      5.61430590      1.70049632     -1.77799024
+H      5.91538939      1.13671529      1.70766165
+H      4.71356493      2.47857212      1.81125466 
+
+15
+-1464.718524008005 11.131289 11.88077 -8.6862 -6.6574 -9.27 1.4095 -0.1958 0.716 8.82888 -0.13888 4.9364901914 5.6336634694 0.173679576
+N      1.03198779      0.79176837      1.24608193
+N      2.37553173      0.62949788      1.00478110
+C      2.89488769      1.25331980      0.00769357
+C      4.37305934      1.19207700     -0.24081047
+C      5.03338763      2.55324147     -0.15555418
+C      6.18767137      2.91382877     -0.99495845
+O      4.87499236      3.42520636     -1.29941778
+H      0.66067827     -0.02615593      1.72490669
+H      0.46497742      1.04679789      0.42734091
+H      2.28196350      1.86520869     -0.67940281
+H      4.57380807      0.77604927     -1.24292110
+H      4.82256792      0.51992420      0.50652081
+H      4.92019027      3.06972861      0.80618875
+H      6.57761353      2.17799687     -1.70743320
+H      6.90843311      3.65781076     -0.63916576 
+
+17
+-1614.94206479634 11.487417 11.90525 -8.8797 -6.844 -9.379 1.0497 -0.5946 0.553 8.94916 0.06035 4.8395083422 5.5744601544 0.203126662
+N      0.76990834      1.09725556     -1.09289256
+N      2.13922172      1.20537382     -1.16927733
+C      2.84738272      0.92480631     -0.13359722
+C      4.33914579      1.13764836     -0.12669434
+C      4.80445757      2.60193653      0.05203571
+C      4.70587397      3.46430744     -1.21208232
+O      3.38151985      3.80240529     -1.61025325
+H      0.38271153      0.90098736     -2.01387375
+H      0.43138683      0.43139857     -0.38744505
+H      2.36900437      0.54112290      0.78640638
+H      4.76171860      0.74694402     -1.06789161
+H      4.75973270      0.52601379      0.68565180
+H      5.86484118      2.58437779      0.35635976
+H      4.24365632      3.08590087      0.86832902
+H      5.25171601      2.95365879     -2.03355489
+H      5.21838395      4.42283437     -1.03420090
+H      2.88791855      2.96058824     -1.72574944 
+
+15
+-1477.5352668624985 13.421191 12.54243 -8.1188 -6.2879 -8.551 0.3907 -1.2006 -0.308 8.12813 0.82352 4.6225824366 4.6225824366 0.527844818
+N      0.64519298      1.27925616      0.10849910
+N      1.93116853      0.87628550      0.29440908
+C      2.87253643      1.75381647      0.12846880
+C      4.25772111      1.36331256      0.22684878
+C      5.30339772      2.20617433      0.07102681
+C      6.73471236      1.78179665      0.14529151
+O      7.43900552      2.02626686     -1.08908216
+H     -0.00949861      0.68014914      0.60544314
+H      0.45130924      2.28154892      0.22378083
+H      2.63949886      2.81112610     -0.09791745
+H      4.43593036      0.30509371      0.44723677
+H      5.12425720      3.26239682     -0.16036078
+H      6.80328671      0.71767070      0.43883873
+H      7.28291084      2.37172187      0.89703233
+H      6.92282075      1.59611421     -1.79495550 
+
+15
+-1476.6973922501772 12.382887 11.88249 -8.2376 -6.3374 -8.725 0.5216 -1.0728 -0.286 8.25398 0.78837 4.6545088316 4.7584834912 0.503665197
+N      0.92075872      1.47099282      0.26767601
+N      2.26490029      1.69303400      0.19638868
+C      3.04394348      0.66440865      0.08820548
+C      4.48039448      0.81787944     -0.08696948
+C      5.27906005     -0.26616661     -0.18700559
+C      5.02563400      2.23188281     -0.15583921
+O      6.44919531      2.31814871     -0.18597237
+H      0.44634878      2.23754846      0.73887561
+H      0.63163766      0.54751893      0.61458524
+H      2.64187631     -0.36604331      0.11449557
+H      4.86715290     -1.27507498     -0.13340502
+H      6.35138672     -0.15998619     -0.34693222
+H      4.59937566      2.82178871      0.67462277
+H      4.67309380      2.70972390     -1.08290606
+H      6.77966183      2.00590466      0.67507060 
+
+13
+-1317.7959160487892 12.813894 12.7369 -8.4158 -6.5215 -8.686 0.3328 -1.2994 -0.093 8.28394 0.61006 3.693976891 11.5712166248 0.384096504
+N      0.97151673      0.21011824     -0.30572033
+N      2.31411040      0.18258579     -0.47040466
+C      3.03470688      0.88322546      0.35574340
+C      4.43719513      0.96900381      0.21566637
+C      5.65204826      1.09675562      0.18476781
+C      7.09359030      1.25431474      0.04894313
+O      7.48243345      2.44417202     -0.66016176
+H      0.51922435     -0.59748167     -0.72503235
+H      0.60874963      0.46507618      0.62071277
+H      2.57014608      1.43911037      1.19036045
+H      7.51238118      0.35209805     -0.43607514
+H      7.56377658      1.33659958      1.04134933
+H      6.92882102      2.49266182     -1.46061900 
+
+15
+-1485.5963957625463 10.986938 11.44446 -8.9639 -7.0102 -9.896 1.2302 -0.3627 0.226 9.32695 0.3744 4.3218047992 6.699025573 0.353993152
+N      0.80829856      0.04921956     -0.76795876
+N      1.72352791     -0.24541951      0.28056936
+C      2.64123927     -1.36057484      0.02641289
+C      1.94961419     -2.69526266     -0.04172381
+C      2.32994468     -3.76848272      0.65772366
+C      1.42889337      0.19300844      1.54154483
+O      0.50322170      0.95896299      1.80685577
+H      1.17289394      0.87322068     -1.26359048
+H     -0.03722306      0.38382140     -0.28239477
+H      3.39822365     -1.35339521      0.82483426
+H      3.16263045     -1.14782081     -0.92169524
+H      1.09370415     -2.74431097     -0.72102500
+H      3.18296137     -3.73562786      1.34108906
+H      1.80526681     -4.72080949      0.57070214
+H      2.12565301     -0.22128901      2.30226607 
+
+13
+-1328.5628449158457 10.439356 11.01208 -9.5547 -7.6275 -10.057 0.6758 -0.3703 0.257 9.92508 0.36233 4.3312897282 10.9587629806 0.484803579
+N      1.28552343      0.04741749     -0.14992090
+N      2.65632518      0.35587683     -0.16275395
+C      3.67224312     -0.69543409     -0.29012322
+C      3.51580499     -1.73951924      0.71807242
+C      3.33647984     -2.60703893      1.54753117
+C      3.02882392      1.66023480      0.07434238
+O      4.18767873      2.05346259      0.12973009
+H      1.11334699     -0.65058808      0.58333068
+H      1.02809358     -0.37695754     -1.04762761
+H      4.64243814     -0.18294477     -0.18585267
+H      3.62916325     -1.13969891     -1.30048455
+H      3.20998360     -3.36985228      2.28899079
+H      2.13159524      2.30354211      0.19334535 
+
+15
+-1471.7554418185991 11.672663 11.61527 -8.5116 -6.558 -8.921 0.1414 -1.4448 -0.22 8.44347 0.74936 4.4221590676 6.6164756942 0.278331955
+N      1.27118546     -0.06199315      0.67045538
+N      2.60397149      0.14666798      0.34653872
+C      2.93242236      1.34189434     -0.04924095
+C      1.92561935      2.47487642     -0.12269215
+O      1.32140698      2.76973704      1.14157990
+C      4.33333081      1.61165675     -0.39642092
+C      5.25225486      0.68483669     -0.71858189
+H      0.59398775      0.37124778      0.02730608
+H      1.10336275     -1.06467986      0.73527737
+H      1.15384175      2.23873850     -0.88859187
+H      2.41532725      3.40026052     -0.45414881
+H      1.09236357      1.91315180      1.55467440
+H      4.61723559      2.66869550     -0.40227785
+H      4.99499632     -0.37499369     -0.75023413
+H      6.27898371      0.96986337     -0.94737328 
+
+13
+-1313.6816377806776 11.445871 11.36938 -8.7947 -6.8397 -8.997 0.216 -1.4277 -0.175 8.56498 0.71621 3.9469951212 11.3494800624 0.295906771
+N      0.97868955      0.06366545      0.60292482
+N      2.35081742     -0.00777328      0.51525790
+C      2.97052596      1.06878357      0.11447112
+C      2.24770515      2.35919010     -0.24136847
+O      1.53927608      2.91832879      0.86800764
+C      4.38906356      1.04175737      0.04399632
+C      5.59893515      1.11179839     -0.07147992
+H      0.50609694      0.61158774     -0.12858515
+H      0.59640948     -0.87838576      0.66026999
+H      1.56657458      2.17329615     -1.10096691
+H      2.97142524      3.11607945     -0.56662929
+H      1.08425215      2.18723647      1.32908741
+H      6.66603873      1.14780556     -0.15176547 
+
+15
+-1472.553119503059 11.555701 11.75302 -9.0765 -7.0071 -9.442 1.0342 -0.5442 0.432 8.98882 0.16259 4.8656073952 6.751905602 0.290943013
+N      0.77157984      0.78213224     -0.67797794
+N      2.13778246      0.75040623     -0.83152839
+C      2.89147848      1.36862088     -0.00119280
+C      4.39197328      1.23372593     -0.16427295
+O      4.71759510      0.43299550     -1.28190246
+C      5.03648168      2.60332500     -0.22378482
+C      5.78904336      3.03886663     -1.23700098
+H      0.31876576      0.64231269     -1.57919129
+H      0.41465668      1.62139830     -0.20670949
+H      2.50580755      1.98854171      0.82502296
+H      4.77351964      0.73820986      0.75860117
+H      3.85138679      0.13866821     -1.64100810
+H      4.86388145      3.23509975      0.65494825
+H      5.97404315      2.40177891     -2.10287607
+H      6.23830478      4.03217817     -1.21782707 
+
+13
+-1312.8393245139184 11.04937 11.48001 -9.2421 -7.2032 -9.469 1.0883 -0.584 0.358 9.05301 0.22362 4.3715107866 10.7738998546 0.371192201
+N      0.86870878      0.70217811     -0.80163967
+N      2.23625239      0.72872644     -0.89149263
+C      2.93476317      1.23618058      0.05299877
+C      4.44752623      1.16199027     -0.07718653
+O      4.83792280      0.48838274     -1.26397257
+C      5.01393387      2.51945122     -0.00178220
+C      5.47200841      3.63915819      0.09380871
+H      0.45636950      0.66578570     -1.73154591
+H      0.45697013      1.44857478     -0.23044822
+H      2.51161353      1.72934203      0.94126189
+H      4.83568800      0.59414288      0.79464172
+H      3.99111893      0.30058059     -1.72842675
+H      5.89110427      4.62248646      0.16031339 
+
+15
+-1466.5809877013912 11.88783 12.12875 -8.8702 -6.7497 -9.335 1.3043 -0.3831 0.676 8.88396 -0.10546 4.9008194192 6.4342038756 0.346425907
+N      1.58101561     -2.54687729      1.00178352
+N      2.16166792     -1.31615563      1.11742772
+C      2.31270409     -0.60789325      0.05468569
+C      3.05660265      0.68220346      0.12921170
+O      2.18821381      1.73542662     -0.34419595
+C      2.74579485      2.97714188     -0.41883023
+C      3.98903319      3.35668743     -0.08382669
+H      1.15405392     -2.82896906      1.88104017
+H      0.95809998     -2.67761903      0.19538590
+H      1.92662302     -0.92628590     -0.92976073
+H      3.95666147      0.65935601     -0.51436622
+H      3.36628342      0.87482245      1.16921845
+H      2.01088259      3.68413657     -0.81070299
+H      4.74200611      2.68140088      0.31734986
+H      4.26350736      4.40143485     -0.21396019 
+
+15
+-1465.1818408093136 10.85172 11.54082 -8.3251 -6.2553 -9.499 1.0502 -0.0201 0.676 9.12863 -0.14157 5.0950062924 11.783071503 0.210147923
+N      5.14673382     -0.62176894     -2.56783635
+N      5.22443354      0.60983087     -1.90445505
+C      4.17821015      1.34123250     -1.90442994
+O      4.07695944      2.51162353     -1.21102932
+C      5.23071623      2.88686610     -0.46392849
+C      6.21734945      3.82407903     -1.09808569
+C      5.25948448      4.31391808     -0.02277357
+H      6.08319206     -0.84758447     -2.90441350
+H      4.50500953     -0.60486678     -3.37189641
+H      3.23725976      1.12319752     -2.43128993
+H      5.59729655      2.09485181      0.19141792
+H      6.00829484      4.13504909     -2.12158586
+H      7.27292682      3.69710672     -0.85664991
+H      5.64485725      4.53460067      0.97260511
+H      4.43142610      4.94356426     -0.34883901 
+
+15
+-1484.35564744326 10.412392 11.17839 -8.8061 -6.8136 -9.954 1.0459 -0.1365 0.245 9.32611 0.35488 4.2830591742 11.9013169512 0.224035067
+N      2.10386422     -0.54609045     -1.33342506
+N      1.93843803      0.61532454     -0.51993981
+C      0.81299281      0.67939121      0.25878916
+O     -0.13985522     -0.09361105      0.14901694
+C      3.15359573      1.31421431     -0.20060499
+C      3.74603230      2.25451382     -1.22373004
+C      3.10260162      2.80356425      0.02716956
+H      1.97780169     -0.25085276     -2.30954669
+H      1.27583402     -1.11867200     -1.10756305
+H      0.86009749      1.50438444      0.99820536
+H      3.86241826      0.73042654      0.39464180
+H      3.19909461      2.38521456     -2.15762054
+H      4.83147613      2.27741615     -1.31426034
+H      3.73746974      3.20892860      0.81432679
+H      2.14244858      3.30496785     -0.08947910 
+
+15
+-1496.557120126725 10.434364 11.28509 -9.3293 -7.2903 -10.519 0.8309 -0.114 0.436 9.62954 0.22376 4.35624811 12.0398341104 0.35898649
+N      0.85277736      1.71633971     -0.04151894
+N      2.21806348      1.68536783      0.34189140
+C      3.13020443      0.98430119     -0.42031501
+O      2.76942402      0.20995067     -1.31186120
+C      4.56027218      1.23305298     -0.06502756
+C      5.53061148      0.07798859     -0.24667409
+C      5.57149166      1.22923277     -1.20151226
+H      0.38086625      0.96241062      0.47099533
+H      0.84053391      1.41358198     -1.02563265
+H      2.53142459      2.53674785      0.80353914
+H      4.74915802      1.91206901      0.76921227
+H      5.09041229     -0.85161293     -0.60789732
+H      6.32363379     -0.02156848      0.49406095
+H      6.39298125      1.94231958     -1.13457137
+H      5.15958529      1.06381863     -2.19722866 
+
+15
+-1468.0608293344237 11.440201 11.96016 -8.4464 -6.354 -9.555 1.0314 -0.0519 0.629 9.1733 -0.10088 5.0938284254 6.7137303126 0.450185746
+N      1.38387894      1.69831356      0.87677915
+N      2.69934802      1.90616074      0.44070623
+C      3.51115656      0.92498743      0.54115606
+O      4.83297055      1.01533508      0.24144247
+C      5.28228080      2.31189488     -0.18919188
+C      6.75698210      2.29312050     -0.43052844
+C      7.57390832      1.24810363     -0.26989992
+H      0.78023899      2.31714902      0.33524044
+H      1.06558185      0.72991874      0.74079438
+H      3.25775546     -0.09013034      0.88092807
+H      5.01403029      3.06273592      0.57531174
+H      4.73561133      2.60156845     -1.10529834
+H      7.15791392      3.25405607     -0.76951073
+H      7.19938904      0.28118442      0.06715231
+H      8.64119385      1.33760189     -0.47269152 
+
+13
+-1308.9726346558036 11.139797 11.77695 -8.5433 -6.4838 -9.633 1.0155 -0.1311 0.543 9.23879 -0.00165000000004 4.4150298726 10.5026184866 0.429304533
+N      0.88289475      2.56051471     -0.03024976
+N      2.27984431      2.49356192     -0.09319432
+C      2.81686882      1.33488803     -0.09260112
+O      4.16288300      1.13928702     -0.06160902
+C      4.94126683      2.36201647     -0.00913897
+C      6.35259162      2.02277243      0.03006951
+C      7.54217775      1.79135387      0.06419555
+H      0.59529966      3.42442563     -0.49003458
+H      0.42207797      1.76979021     -0.49880309
+H      2.28683422      0.37156949     -0.10847101
+H      4.64479719      2.94272195      0.88034567
+H      4.70543896      2.98136936     -0.89085293
+H      8.59095493      1.57668891      0.09421407 
+
+15
+-1495.266249823276 10.970116 11.56973 -9.4394 -7.3784 -9.854 1.2492 -0.3603 0.24 9.66559 0.38604 4.2984830326 6.8038433374 0.260626686
+N      0.87932933      1.91837349     -1.31639222
+N      2.22429179      1.47727625     -1.23381501
+C      2.97389528      1.75778318     -0.11543383
+O      2.47087637      2.20371677      0.91610627
+C      4.46954250      1.47620032     -0.25853732
+C      5.26636866      2.75169885     -0.20743857
+C      6.15096660      3.13108854     -1.13531434
+H      0.78471524      2.63726846     -0.58524101
+H      0.28710725      1.14131084     -1.00152210
+H      2.69857137      1.43336444     -2.13358054
+H      4.69313152      0.91444665     -1.17853870
+H      4.73502704      0.83722515      0.59987986
+H      5.07394267      3.38698077      0.66252266
+H      6.36210387      2.51572590     -2.01394271
+H      6.70072051      4.06859042     -1.04392244 
+
+13
+-1339.8157195687834 10.39948 11.05262 -9.5379 -7.4477 -10.2 0.8371 -0.1058 0.334 9.74511 0.35585 4.3057982066 10.8657238862 0.360648658
+N      1.45383192     -0.64575105     -0.50903783
+N      2.62507651     -0.03945292      0.00039856
+C      3.35322024      0.83352934     -0.75098993
+O      3.15080400      1.03231157     -1.94815862
+C      4.48008318      1.57408243     -0.00268609
+C      4.57462622      1.34748431      1.43059362
+C      4.62321718      1.14075345      2.62630273
+H      1.73919675     -1.51083251     -0.98363014
+H      1.12645863     -0.02714399     -1.26291385
+H      2.70061844     -0.00047002      1.01586678
+H      4.33901741      2.64521518     -0.21597430
+H      5.41973814      1.28649704     -0.50054537
+H      4.67830138      0.97319718      3.68282444 
+
+11
+-1192.4052847778235 9.082683 9.07138 -9.4342 -7.4022 -9.902 -0.4773 -2.2194 -0.308 9.54327 0.90607 4.0827101968 8.4907844548 0.290281552
+O     -1.16392067      0.71006546      0.72672572
+C     -1.08515846     -0.42150088     -0.15690201
+C     -0.10730422     -1.44946626      0.22332107
+N      1.15451303     -1.24780678      0.44945682
+N      1.73508871     -0.00331552      0.11663114
+C      1.00148925      0.92732848     -0.41224747
+C     -0.46378732      0.91049411     -0.51306363
+H     -2.03936346     -0.71838577     -0.60279592
+H     -0.44509069     -2.48764945      0.32110807
+H      1.54803172      1.78482781     -0.82148628
+H     -0.96728790      1.57977879     -1.21734751 
+
+11
+-1201.3695791757975 9.6634 9.30463 -9.2806 -7.2723 -9.223 -0.1435 -1.8465 -0.24 8.81732 0.74613 4.1254357724 6.1972914268 0.41549186
+O      0.75866744     -1.05305821     -0.77884620
+C     -0.40514562     -1.46121765     -0.14595305
+C     -1.38429679     -0.60004901      0.20226966
+C     -1.31119032      0.81503080     -0.11726590
+N     -0.24506726      1.55949538     -0.19679397
+N      0.93819364      1.07263963      0.30347629
+C      1.39701316     -0.07795080      0.03069216
+H     -0.46173647     -2.54205445      0.00995337
+H     -2.30204323     -1.00925189      0.62854944
+H     -2.24524226      1.33248901     -0.36309582
+H      2.36349773     -0.40307280      0.42240403 
+
+11
+-1194.896607246859 9.781649 9.35255 -9.4065 -7.4382 -9.325 -0.545 -2.2193 -0.489 8.80906 1.00435 4.4782131382 6.5001768262 0.19841337
+O      0.59080175     -1.02581758     -0.83466811
+C     -0.42685563     -1.35673876      0.03471097
+N     -1.40310360     -0.57773499      0.32982405
+C     -1.39212873      0.74243799     -0.06847797
+C     -0.27722897      1.52575957     -0.16161336
+C      1.04536081      1.02216754      0.10845075
+N      1.53317289     -0.16770488     -0.05122334
+H     -0.39212166     -2.37587477      0.43601570
+H     -2.38215423      1.19213654     -0.17875189
+H     -0.39745258      2.60537389     -0.26578932
+H      1.77619996      1.68982546      0.58380252 
+
+16
+-1614.0635754473415 10.456983 11.3211 -8.6532 -6.5567 -9.829 0.8786 -0.058 2.832 9.1491 -2.49265 7.8643203926 11.0927546508 0.093516472
+O      1.55464723     -0.26279634     -0.85145020
+C      2.74723095      0.06400522     -0.17373649
+C      3.50799157     -1.01759591      0.55609496
+C      4.05686395     -0.42136262     -0.73907533
+N      5.04338384      0.64075955     -0.66559071
+C      4.29894353      1.89840599     -0.41681977
+C      2.96998607      1.51390459      0.27973707
+H      0.87078489     -0.43209153     -0.17884824
+H      3.11052136     -2.03206739      0.48566551
+H      4.00386407     -0.76885581      1.49774813
+H      4.05278392     -1.05663123     -1.62816919
+H      5.70428297      0.46275241      0.09292389
+H      4.91665263      2.60096842      0.16045331
+H      4.07600613      2.37323994     -1.38690676
+H      3.04223542      1.59188280      1.37659672
+H      2.12894147      2.13836191     -0.05384290 
+
+16
+-1604.7560121319875 10.278409 11.24239 -8.8311 -6.7763 -10.759 0.832 -0.1585 2.697 10.09008 -2.39803 8.4481084736 13.2555168404 0.098918137
+O      1.00875531     -0.19215763     -0.09483092
+C      2.39473278      0.02896853      0.00686173
+C      3.33868199     -0.54889133     -1.06833729
+N      4.43291081     -0.39122757     -0.01943175
+C      3.34267009     -0.72533933      0.98726198
+C      4.43767792      1.11101970      0.10942577
+C      2.92189503      1.47255323      0.13196067
+H      0.55277301      0.41435864      0.51506169
+H      3.49513571      0.01153385     -2.00199940
+H      3.16446370     -1.61351208     -1.27154495
+H      3.16633300     -1.80857463      1.00769589
+H      3.50661669     -0.33028964      2.00162213
+H      4.96825551      1.39101775      1.02978891
+H      4.97322320      1.54379457     -0.74643846
+H      2.60294057      2.09872291     -0.71352254
+H      2.60134468      1.95270301      1.06972654 
+
+16
+-1617.2727183926645 10.373496 11.2918 -8.8351 -6.7127 -9.993 0.8454 -0.1082 2.886 9.40872 -2.84851 7.8276205366 10.9481993734 0.127245924
+O      1.62173048     -0.23429699     -0.85247472
+C      2.81130600      0.12317557     -0.18655044
+C      3.57586952     -0.89898938      0.61835325
+C      4.13511651     -0.38194900     -0.69874129
+C      5.10304045      0.79302875     -0.63468834
+N      4.48467533      1.80705605      0.25236570
+C      3.02766285      1.59609027      0.17008764
+H      0.92498708     -0.33516381     -0.17916624
+H      3.18329569     -1.91585449      0.59881947
+H      4.04789226     -0.60164202      1.55987684
+H      4.15550047     -1.06564651     -1.54825052
+H      6.10378824      0.53211204     -0.25817971
+H      5.22759776      1.21415952     -1.64747270
+H      4.79032137      1.63482306      1.21130232
+H      2.54660955      1.90876113      1.11013043
+H      2.59594644      2.19914580     -0.64824170 
+
+16
+-1611.645035846248 10.32751 11.2785 -8.6667 -6.5463 -10.299 0.8423 -0.1311 2.72 9.61639 -2.45005 8.08884664 8.2995112526 0.056459689
+O      1.03660180     -0.16570768     -0.12615035
+C      2.42455557      0.01370485      0.00176976
+C      3.35333779     -0.56743762     -1.09427991
+C      4.41357844     -0.32940719      0.01180642
+C      3.32211199     -0.75029395      1.03621047
+N      4.44579551      1.16154894      0.06741068
+C      2.97538324      1.45079725      0.12016786
+H      0.59752928      0.32034237      0.59514321
+H      3.46333272     -0.00769692     -2.03262907
+H      3.15699243     -1.63159635     -1.27215651
+H      5.40805340     -0.78667973     -0.02343166
+H      3.10766841     -1.82689886      1.03595907
+H      3.39810295     -0.35616429      2.06188500
+H      4.88381715      1.45349163      0.94551192
+H      2.65731714      2.08243932     -0.72426153
+H      2.66658219      1.93595823      1.06185463 
+
+16
+-1612.6642491391633 10.255947 11.16168 -9.4376 -7.2569 -10.554 0.8771 -0.0488 2.894 9.75654 -2.73855 8.3122818106 12.7390407588 0.202547887
+O      1.16676805      0.09377887      0.32423456
+C      2.56358395      0.04649166      0.14217067
+C      3.06468800     -0.93650514     -0.96416891
+C      4.59518994     -0.77612497     -0.89169287
+C      4.65623042      0.78649877     -0.83053339
+C      3.14299902      1.07078590     -0.88562983
+N      2.59913759      0.12620769     -1.93008161
+H      0.80285949      0.14340646     -0.58446932
+H      3.03107313     -0.01060934      1.13503704
+H      2.63963409     -1.94280000     -1.07344837
+H      5.02840786     -1.25757209     -0.00221949
+H      5.09526302     -1.19197995     -1.77824400
+H      5.18979148      1.23016332     -1.68344839
+H      5.12291502      1.16188652      0.09247319
+H      2.79801942      2.11261046     -0.91470885
+H      3.12584952      0.14027183     -2.81333042 
+
+14
+-1479.8761640358514 9.766628 10.59378 -9.2774 -7.1904 -10.295 1.2291 -0.5707 0.576 9.52369 0.18329 3.9988088706 12.074066645 0.158528733
+O      1.10975285      0.02127749      0.27146208
+C      2.30479382      0.01122852      0.14413972
+C      3.44097671     -1.02495192     -0.04611077
+C      4.20539751     -0.82988024      1.28875472
+C      4.22381477      0.73959614      1.33469378
+C      3.46475307      1.03028119      0.01426294
+N      4.00004268      0.02445816     -0.97310532
+H      3.28215949     -2.03536903     -0.43731708
+H      3.68411309     -1.27855612      2.14680607
+H      5.21285225     -1.26675578      1.23622182
+H      5.24132918      1.15491891      1.30655970
+H      3.71313349      1.14944067      2.21815806
+H      3.32957329      2.06533570     -0.31678801
+H      5.02931780      0.01289631     -0.98356772 
+
+16
+-1614.7057947101162 10.250527 11.1128 -8.6698 -6.5391 -9.836 0.8075 -0.1502 3.058 9.2416 -2.76287 7.7821300732 10.452515744 0.134439115
+O      0.83101923      0.15954937     -0.11413394
+C      2.17853403      0.01897602      0.22551583
+C      3.09903674     -0.90894892     -0.56999229
+C      2.56715190     -1.45980673     -1.89373347
+C      2.73578831     -0.28939540     -2.88288040
+N      2.57530370      0.91006949     -2.02262923
+C      3.19777696      0.59802000     -0.73280702
+H      0.86788280      0.64255045     -0.97898876
+H      2.35586265      0.09434039      1.30058876
+H      3.86846906     -1.45896902     -0.02700121
+H      3.13020008     -2.34544438     -2.21590982
+H      1.50671072     -1.74223900     -1.79716950
+H      3.73928206     -0.33124620     -3.35004219
+H      1.97993016     -0.28911751     -3.68277947
+H      2.96936768      1.75263157     -2.43948818
+H      4.05488392      1.18971989     -0.40411911 
+
+16
+-1607.3209964479595 10.287088 11.22672 -8.6249 -6.4909 -10.161 0.8456 -0.1203 2.835 9.5059 -2.5854 8.125794468 13.1322003648 0.080436289
+O      1.07079361     -0.06869552      0.06171150
+C      2.48979046      0.01694398      0.01335764
+C      3.08952353      1.06046185     -0.99477688
+C      2.70918410      0.03870370     -2.11261032
+C      3.11011366     -0.97684207     -1.01263766
+N      4.56935965     -0.73553570     -0.90308101
+C      4.58543631      0.77445742     -0.82495690
+H      0.73773738      0.72229067      0.51991940
+H      2.92776905      0.00294740      1.03099050
+H      2.76573646      2.10962281     -1.01255138
+H      3.30730114      0.03355570     -3.03370748
+H      1.63488827      0.02797390     -2.32025203
+H      2.83420719     -2.03771949     -1.04442069
+H      4.91284985     -1.12315799     -0.01949939
+H      5.19940370      1.20130327     -1.63363355
+H      4.97796562      1.13841006      0.13849824 
+
+14
+-1478.8753035691884 9.786804 10.62186 -8.537 -6.4518 -10.049 1.1438 -0.6021 0.581 9.45906 0.18316 3.9843025086 8.1800755388 0.154101232
+O      1.10908174      0.03946227      0.11982157
+C      2.31656474      0.01751665      0.09080491
+C      3.46335643      1.06691664      0.01789716
+C      4.09982306      0.02732471     -0.96926478
+C      3.45114121     -1.02357556     -0.03081239
+N      4.21689873     -0.79536352      1.22903627
+C      4.20606786      0.72228043      1.31610099
+H      3.29237718      2.11724860     -0.23605772
+H      5.19747201      0.00399644     -1.00774533
+H      3.65392699      0.04875903     -1.97098969
+H      3.31268415     -2.07709703     -0.29254329
+H      3.69547394     -1.18664456      2.01897487
+H      5.23759428      1.10701793      1.33863871
+H      3.67549768      1.08781796      2.20796871 
+
+16
+-1611.566515101283 10.26729 11.21735 -8.7072 -6.5663 -10.005 0.8258 -0.1606 3.052 9.34312 -2.71342 8.1259680484 10.9591969316 0.160681615
+O      0.77189693     -0.05743612     -0.09186029
+C      2.15413606      0.02886807      0.17766461
+C      3.07128263     -0.84777358     -0.62749482
+C      2.52393156     -1.41732420     -1.94788301
+N      2.65458022     -0.36056759     -2.98100268
+C      2.58668185      0.92008291     -2.23783194
+C      3.10877286      0.66549668     -0.81497755
+H      0.38157374      0.81885833      0.07346933
+H      2.39507846      0.14833761      1.24085449
+H      3.87060489     -1.37906567     -0.10870672
+H      3.07155208     -2.31838404     -2.25555745
+H      1.46245558     -1.68587666     -1.83832026
+H      3.60298796     -0.43180613     -3.36167599
+H      3.17574664      1.69144643     -2.75239346
+H      1.53842499      1.26143533     -2.21515043
+H      3.93459354      1.26791861     -0.43188384 
+
+12
+-1329.390011051989 9.728028 10.10518 -9.4842 -7.4063 -9.257 1.0552 -0.5394 0.494 9.53045 0.2718 4.170641068 11.4385888006 0.191703433
+O      0.98286332     -0.16267241     -0.34464317
+C      2.15027975      0.06228540     -0.19279292
+C      3.39840184     -0.56321324      0.58717543
+N      3.50957120      0.82840247      1.17489474
+C      3.13941989      1.31878482     -0.20961844
+C      4.26898642      0.74343919     -1.02291997
+C      4.43921893     -0.49343465     -0.49923220
+H      3.33460142     -1.41820282      1.26597197
+H      2.71288715      0.98827327      1.81145083
+H      2.81519920      2.35597660     -0.33190089
+H      4.74188388      1.20664557     -1.88418271
+H      5.08734701     -1.30340421     -0.82148266 
+
+14
+-1451.9545084229824 10.120539 10.74716 -8.9415 -6.7802 -8.593 0.7795 -0.2072 1.329 8.11729 -0.69022 5.5154180212 11.3685367106 0.239226095
+O      0.87963831     -0.22933732     -0.30848175
+C      2.17030108      0.21050108      0.06094748
+C      3.39073838     -0.63565410     -0.41495899
+N      4.24614341      0.62258348     -0.24226485
+C      2.97663343      1.29008203     -0.76770043
+C      2.93340456      0.68436589     -2.17078595
+C      3.20823962     -0.60801963     -1.93624255
+H      0.22796243      0.25155143      0.22982382
+H      2.22489404      0.42405240      1.14476483
+H      3.71206832     -1.56063297      0.07772550
+H      4.29539026      0.81748559      0.77260725
+H      2.86504054      2.37298816     -0.63494571
+H      2.72054069      1.20562221     -3.09982737
+H      3.28942493     -1.45192825     -2.61531128 
+
+13
+-1358.8938996144996 9.545107 10.06613 -8.5746 -6.5095 -9.231 0.8319 -0.0816 0.741 8.71424 -0.14491 4.965081363 12.1878361986 0.145771327
+O      1.28045060      0.37962723      0.94822659
+C      2.49585119      0.18392705      0.26551960
+C      2.60917436      0.95957318     -1.01001560
+N      3.96333564      1.14982019     -1.48007920
+C      4.46678587     -0.11445062     -1.77661840
+N      3.69040437     -1.12488419     -1.54679995
+C      2.45323706     -0.59205825     -1.04101653
+H      1.01849224     -0.47525296      1.33531673
+H      3.39699725      0.08389358      0.88408953
+H      1.84189649      1.68272844     -1.28498995
+H      4.18569845      1.93844537     -2.08320233
+H      5.48431971     -0.21065686     -2.15967615
+H      1.52741676     -1.11000213     -1.30150435 
+
+13
+-1342.016965763872 9.580157 10.07651 -8.3768 -6.3362 -9.05 1.4374 -0.1606 0.608 8.63277 -0.02715 5.0473212768 10.499196473 0.112122214
+O      1.12754899     -0.04850992      0.83671316
+C      2.42446373      0.01347427      0.28969565
+C      2.61285379      0.79170370     -0.98129499
+N      3.99005366      1.12468019     -1.30163363
+N      4.71383686     -0.02421436     -1.62389334
+C      3.95579144     -1.06238293     -1.43368874
+C      2.57316969     -0.75838187     -1.00449563
+H      0.96515242      0.78764261      1.30986994
+H      3.25483135     -0.01785808      1.00485944
+H      1.81047941      1.42937834     -1.35622779
+H      4.14084517      1.85299269     -1.99876934
+H      4.35445157     -2.05869277     -1.61868666
+H      1.71902192     -1.35181187     -1.33654807 
+
+12
+-1259.2430198100894 8.775285 9.40989 -9.1539 -7.0688 -10.245 1.2747 -0.5589 0.261 9.8875 0.3139 5.4687992852 12.2325951446 0.144106342
+O      1.15076707     -0.02179844      0.83903089
+C      2.44476027     -0.00688430      0.28947945
+C      2.64327684      0.74991424     -0.99272111
+O      3.97824605      1.10362518     -1.35474246
+N      4.72646471     -0.08354946     -1.56499113
+C      3.94446449     -1.10052918     -1.41226412
+C      2.55931951     -0.77301087     -1.01943705
+H      1.00125447      0.83745506      1.27399075
+H      3.28100650     -0.07537166      0.99411265
+H      1.88229076      1.42656556     -1.38380204
+H      4.34959142     -2.09664976     -1.58580932
+H      1.69916792     -1.34361638     -1.37034651 
+
+16
+-1593.5933176371773 10.569273 11.92267 -9.5092 -7.3208 -11.003 0.8332 -0.1167 2.86 10.71493 -2.47523 8.7268290016 11.2551143178 0.140763151
+O      1.22636765     -0.26546478      0.19177372
+C      2.60927987     -0.14487703     -0.06772892
+C      3.06703142     -0.55957889     -1.42963167
+C      3.11512611      0.90532074     -1.03752484
+C      4.39763832      1.63449840     -0.78534190
+C      5.72421294      0.97058886     -0.64610860
+N      5.38964753      1.69715766     -1.88869983
+H      0.98041142      0.43627576      0.82055924
+H      3.26273018     -0.39320795      0.77723242
+H      2.28751120     -0.84357215     -2.13635959
+H      3.99842194     -1.11829352     -1.52149807
+H      2.32781434      1.51484087     -1.49043334
+H      4.27625407      2.54888263     -0.19191930
+H      5.81453503     -0.11158175     -0.76723995
+H      6.43864939      1.40930623      0.05552959
+H      5.84949860      2.61291491     -1.88602897 
+
+16
+-1598.3710825453516 10.604472 11.85594 -9.0072 -6.8546 -10.451 0.8322 -0.1429 2.725 10.19538 -2.32345 8.0034574818 10.638246772 0.23289931
+O      0.92683737      0.16255695     -0.65436603
+C      2.25251317      0.08236767     -0.18508179
+C      3.25835974     -0.70040111     -1.00599086
+C      3.27976544      0.82194863     -0.98513611
+C      2.34178390      0.03416527      1.31592299
+C      1.43241670      0.83571792      2.17774012
+N      1.16644625     -0.60631339      1.95320400
+H      0.42393518     -0.42959043     -0.05174980
+H      2.87485009     -1.17828548     -1.90704224
+H      4.05628216     -1.23912141     -0.49131264
+H      4.08831053      1.32726879     -0.45484969
+H      2.91440003      1.33813215     -1.87310565
+H      3.33268207     -0.19804942      1.71813828
+H      0.70713663      1.50217564      1.70754633
+H      1.80193717      1.15187560      3.15582256
+H      1.44674358     -1.16200740      2.76509051 
+
+14
+-1481.7200181834457 10.126477 11.58259 -10.2258 -7.9889 -11.294 0.6345 -0.3913 1.335 11.02015 -0.95929 5.3792194002 10.881507304 0.23290204
+O      1.27689223     -0.37608498      0.17632533
+C      2.65291922     -0.19202879     -0.05752305
+C      3.13718274     -0.52722623     -1.43457190
+C      3.11711929      0.91831310     -0.97486688
+C      4.41571657      1.65316892     -0.68003323
+C      5.07057328      2.15235489     -1.88972272
+N      5.57820477      2.54836019     -2.86242995
+H      0.99874814      0.26062072      0.85876278
+H      3.30701382     -0.45461054      0.78349109
+H      2.37807036     -0.82371697     -2.15793956
+H      4.09933624     -1.03051854     -1.53733569
+H      2.32220826      1.53218389     -1.40298921
+H      5.12399866      0.98624475     -0.16207652
+H      4.23820643      2.50920959     -0.00818051 
+
+16
+-1588.1905645659074 10.82365 12.09575 -9.127 -7.0085 -10.508 0.9358 0.0037 3.367 9.8976 -3.17419 8.6519786534 10.784612245 0.274590388
+O      1.05360514      0.34798662     -0.38084358
+C      2.41478337      0.12170747     -0.08176882
+C      3.05569966     -1.04772381     -0.76738469
+C      3.46987776      0.36405526     -1.13660298
+N      4.76502293      0.82259352     -0.69897895
+C      5.78463876      0.94596754     -1.75053063
+C      5.15407364      2.16300812     -1.15825281
+H      0.88204322      1.30056835     -0.27105544
+H      2.71622044      0.31467791      0.95337492
+H      2.44369843     -1.58712005     -1.49033797
+H      3.76159866     -1.64623060     -0.19209021
+H      3.09799049      0.73274757     -2.10495267
+H      5.49450553      0.68238248     -2.77255567
+H      6.79691703      0.65360379     -1.46233626
+H      5.69988300      2.77091963     -0.43319988
+H      4.44489194      2.71100621     -1.78764436 
+
+15
+-1488.6982390888986 10.501757 11.24218 -8.8928 -6.8786 -9.695 0.8334 -0.1314 0.865 8.94832 -0.32981 5.0182589584 11.4562072112 0.242395435
+O      0.78080100      0.06630442     -0.31455230
+C      2.12315968     -0.16631725      0.03447691
+C      2.95074533     -0.86959571     -0.99322044
+C      3.23141633      0.58813475     -0.68862840
+N      4.43009609      0.90997821      0.02411618
+C      4.53697405      2.05205842      0.79903659
+N      3.62139875      2.88616592      1.14328865
+H      0.45651130      0.81576040      0.21677381
+H      2.31602360     -0.40879326      1.08473366
+H      2.46892226     -1.08031455     -1.94760618
+H      3.66631892     -1.61624638     -0.64862517
+H      2.89162595      1.30829806     -1.44315968
+H      5.29912708      0.51030735     -0.32188805
+H      5.55952547      2.21188674      1.17023051
+H      2.71670419      2.62781289      0.72228390 
+
+14
+-1435.0308752289611 9.774817 10.82646 -9.5615 -7.4984 -10.648 0.8127 -0.275 0.22 10.07861 0.3497 4.313348954 6.2090205024 0.209779551
+O      0.81143343      0.27932085     -0.45404957
+C      2.11764300      0.03230422      0.00132633
+C      2.91427475     -0.94770043     -0.79596793
+C      3.29810598      0.52119276     -0.82496995
+N      4.50564629      0.92749937     -0.16396624
+C      4.61120610      2.04069942      0.62889790
+O      5.65678673      2.46903909      1.09957953
+H      0.55331363      1.17252221     -0.16349820
+H      2.25506403      0.02142570      1.08778496
+H      2.44614002     -1.34460812     -1.69624189
+H      3.56417818     -1.63427797     -0.25360910
+H      3.03325005      1.05562787     -1.74314268
+H      5.38735834      0.48415238     -0.42404494
+H      3.61776947      2.51369266      0.81436179 
+
+15
+-1461.7835016952583 11.20215 11.79545 -8.5452 -6.5347 -9.199 1.3823 -0.3583 0.535 8.62041 -0.0141 4.8483609426 5.3445033202 0.365243409
+O      0.44154175      0.01673828     -0.39760854
+C      1.80404654     -0.09922415     -0.06477701
+C      2.62919085     -0.98779946     -0.94290729
+C      2.84405882      0.51393400     -0.97598744
+N      4.04521475      1.02421885     -0.37856691
+N      3.96098463      2.28999383      0.12264664
+C      5.04379069      2.97355789      0.24864608
+H      0.15029041      0.90551257     -0.12416423
+H      2.04144585     -0.09076298      1.00384410
+H      2.13171475     -1.42713012     -1.80703005
+H      3.39222209     -1.60300980     -0.46621615
+H      2.44930836      1.03910913     -1.85423482
+H      4.90861748      0.80941635     -0.89594862
+H      4.96722192      3.96186031      0.70232665
+H      6.03417109      2.60572530     -0.06826242 
+
+14
+-1379.2067349503748 10.290501 10.98025 -9.2623 -7.1388 -10.687 1.2222 -0.6865 0.183 10.36345 0.34637 5.4105134666 6.5340498014 0.372775501
+O      0.18272612      0.61233325     -0.41328825
+C      1.33460775     -0.05260627      0.04937768
+C      2.00531668     -0.98874446     -0.91841332
+C      2.68095655      0.29835980     -0.52910191
+O      3.83740764      0.15489702      0.27412645
+N      3.98461236      1.30940520      1.08597091
+C      5.04287339      1.22780708      1.80201378
+H      0.15245366      1.48269100      0.02384244
+H      1.32641871     -0.35666435      1.10199374
+H      1.60074780     -1.04338229     -1.92884710
+H      2.41434700     -1.91604148     -0.51789192
+H      2.72840700      1.10616066     -1.26453630
+H      5.24234563      2.07372660      2.46040855
+H      5.72369973      0.36890824      1.77344525 
+
+16
+-1607.018587791621 10.330531 11.25675 -8.8252 -6.7131 -10.306 0.885 -0.0496 2.944 9.63383 -2.66473 8.2772185698 11.3373170358 0.071793529
+O      0.99755497      0.07499183     -0.01460062
+C      2.41951579     -0.01287148      0.00778509
+C      3.01757962     -1.15021775      0.90448931
+C      3.81874702     -0.26152643      1.87362085
+C      4.49856084      0.75947492      0.92348976
+C      3.01627479      1.18665375      0.76283518
+N      2.76079449      0.77872342      2.20733525
+H      0.65601934     -0.72565697     -0.44733277
+H      2.81738268     -0.05008809     -1.02305508
+H      3.64693035     -1.85929189      0.34901060
+H      2.21733652     -1.69005755      1.42827583
+H      4.33963479     -0.74663329      2.70940725
+H      5.06144431      0.39698630      0.04536844
+H      5.08253899      1.51321948      1.46969721
+H      2.69803339      2.18526811      0.43987820
+H      3.22729212      1.49067563      2.78686550 
+
+14
+-1480.5187111675816 9.795508 10.62195 -9.0251 -6.9409 -10.408 1.2665 -0.5668 0.386 9.58694 0.36523 3.82124852 12.091052727 0.113539468
+O      1.06591985      0.00839763     -0.05469782
+C      2.27715233      0.00209509     -0.02129901
+C      3.25637095     -1.18850917      0.04048680
+C      4.54869535     -0.35800454     -0.02834633
+C      4.25769876      0.67028015     -1.15399219
+C      3.25806074      1.18028764     -0.07365038
+N      4.22542159      0.70870120      1.01316898
+H      3.10730060     -1.87613677     -0.80343996
+H      3.14974023     -1.73808653      0.98514190
+H      5.50560448     -0.88482036      0.06299387
+H      3.87510345      0.31914235     -2.12685929
+H      5.08385142      1.38095794     -1.29724529
+H      2.84253528      2.19190872     -0.02853838
+H      5.00675498      1.37975667      1.00137711 
+
+14
+-1511.5754601094952 9.8411 10.66206 -9.0824 -7.0895 -10.239 0.8137 -0.0846 0.607 9.60434 0.07605 4.3549338584 11.0684038004 0.173437921
+O      1.75268003      0.19801708      1.45697335
+C      2.44156618      0.06019371      0.45529944
+C      2.98128375     -1.25849773     -0.12885783
+C      3.96129370     -0.84418241     -1.21012875
+C      5.14018085      0.03104814     -0.82731870
+C      3.86490734      0.66346281     -1.34014029
+N      2.90211710      1.08179710     -0.35670173
+H      2.13768293     -1.83653439     -0.53518513
+H      3.42307201     -1.85221427      0.68346620
+H      4.05097340     -1.45327829     -2.10910050
+H      5.37194594      0.16125152      0.23185834
+H      6.00336495      0.01579928     -1.49371441
+H      3.82767210      1.16192015     -2.30940288
+H      2.83209972      2.04209731     -0.02829711 
+
+16
+-1610.9421316304833 10.214185 11.18175 -9.0587 -6.9441 -10.575 0.955 0.0438 2.82 9.98949 -2.56741 8.4122393238 11.6281261988 0.238763969
+O      1.26355423      0.12795216      0.71914749
+C      2.59571768      0.05210620      0.19360275
+C      2.87179455     -1.30671994     -0.49087774
+C      2.41667985     -1.07555412     -1.92801196
+C      3.34869136     -0.40454488     -2.86969644
+N      2.31880082      0.40340409     -2.18688286
+C      2.82164135      1.05983553     -0.94552780
+H      0.65087990      0.10656656     -0.03937166
+H      3.25318674      0.23384567      1.05655308
+H      2.31137787     -2.10690366      0.00903914
+H      3.94274781     -1.55829995     -0.43667997
+H      1.59255508     -1.67332424     -2.32559785
+H      4.38846367     -0.28460692     -2.54435405
+H      3.21378968     -0.50586911     -3.94964822
+H      3.88997958      1.32208320     -1.03253110
+H      2.25631984      1.98525941     -0.76693281 
+
+14
+-1487.0103731017298 9.721833 10.58343 -9.0103 -6.9256 -10.495 0.8326 -0.9911 0.257 9.69178 0.485 3.7500557588 11.9063259856 0.283791308
+O      1.90693254      0.14455809      1.56219716
+C      2.53447640      0.00529688      0.53129254
+C      2.96220740     -1.32720471     -0.10124075
+C      3.91516956     -0.93359186     -1.20479316
+C      5.09070647     -0.10655266     -0.82066901
+N      3.91075576      0.55662171     -1.41096136
+C      3.02275897      1.13101694     -0.39234390
+H      2.05865789     -1.82321220     -0.49185688
+H      3.38929180     -1.98792843      0.66581785
+H      3.94594649     -1.52616673     -2.12138926
+H      5.28256089      0.03087964      0.25015045
+H      5.98173519     -0.09459617     -1.45153341
+H      3.51491351      1.92476745      0.18828330
+H      2.14260713      1.58126206     -0.88255358 
+
+13
+-1359.9566694027837 9.379352 9.98965 -9.0736 -7.0978 -10.432 0.974 -0.0548 0.504 9.74061 0.16847 4.3716099754 12.2215727892 0.148778141
+O      1.62082512      0.25888348      1.29973466
+C      2.44624993      0.04480811      0.42366749
+C      3.01962970     -1.31415380     -0.01945108
+C      3.93770869     -0.97647677     -1.17054871
+C      5.10902063     -0.08942867     -0.93063833
+N      3.84114691      0.50006396     -1.45758463
+N      3.05664731      0.99573331     -0.36707481
+H      2.18096690     -1.95189043     -0.33203785
+H      3.51259945     -1.80666645      0.82972001
+H      3.92580707     -1.60500769     -2.06251413
+H      5.36668916      0.16267554      0.09986937
+H      5.92955296     -0.08321316     -1.64941748
+H      2.65405616      1.91998257     -0.49865451 
+
+16
+-1616.4244283494934 10.264958 11.15063 -9.1621 -7.0182 -10.514 0.8304 -0.1585 2.784 10.0185 -2.50932 8.3760354118 12.2753455174 0.169420658
+O      1.20998277      0.01040347      0.60107674
+C      2.56381907      0.03560764      0.10861169
+C      2.77279943     -1.30864276     -0.62230875
+C      2.58526906     -1.02001673     -2.10578875
+N      3.69551582     -0.35537290     -2.82089202
+C      2.57418426      0.46143048     -2.31148755
+C      2.75949328      1.14250305     -0.96142317
+H      1.03080196      0.86963439      1.02137975
+H      3.26155375      0.15798607      0.95746965
+H      2.03608966     -2.03236371     -0.24640530
+H      3.77272736     -1.72670074     -0.42081256
+H      1.99143858     -1.70335558     -2.71667312
+H      4.50280559     -0.26248176     -2.19153871
+H      1.97231180      0.94551488     -3.08362144
+H      3.75912763      1.60423543     -0.88403847
+H      2.02591999      1.94959876     -0.81086800 
+
+14
+-1494.0131826317768 9.749299 10.52553 -9.5011 -7.4463 -10.692 0.8383 -1.0169 0.189 9.74957 0.55429 3.7423438296 11.3584690474 0.242441364
+O      1.78157139      0.02995185      1.52719966
+C      2.49159797      0.00961786      0.54126395
+C      2.99315554     -1.25710799     -0.17133503
+C      4.03339823     -0.77978241     -1.15919608
+N      5.19115874     -0.03112154     -0.63251365
+C      4.04681072      0.72276521     -1.18057590
+C      3.01545697      1.24644662     -0.20698064
+H      2.13291222     -1.72899964     -0.67732133
+H      3.36334576     -1.98711766      0.56426664
+H      4.23714863     -1.37040321     -2.05475138
+H      5.17576754     -0.01635605      0.39521729
+H      4.26081445      1.28395281     -2.09252261
+H      3.39870513      1.99041110      0.50764802
+H      2.16359670      1.71890302     -0.72643894 
+
+12
+-1358.993396891284 9.644066 10.66371 -9.9647 -7.9226 -10.991 0.4021 -1.4839 -0.15 10.1074 0.92652 3.737929928 11.9096364118 0.296806961
+O      1.39157803     -0.02837347      1.17232138
+C      2.34145149     -0.01920223      0.42930661
+C      3.21309878      1.09966686     -0.16293365
+C      4.21304112     -0.01305523     -0.63795995
+C      3.18288491     -1.12427172     -0.22871543
+C      4.61418961      0.02275845     -2.03213397
+N      4.91769296      0.05161645     -3.15900032
+H      3.59724706      1.84722044      0.54272891
+H      2.70960491      1.61416297     -0.99380043
+H      5.11189918     -0.04393719     -0.00668353
+H      2.66627573     -1.57500308     -1.08809142
+H      3.54603622     -1.92242226      0.43117180 
+
+12
+-1357.472314235561 9.680572 10.61395 -9.9758 -7.9651 -10.833 0.2457 -1.5969 -0.22 10.09663 0.98696 3.7267463908 11.2945294672 0.172109904
+O      1.10182042     -0.02758995      0.38868706
+C      2.28059890     -0.00669371      0.16361852
+C      3.32323636      1.08594239     -0.08155460
+C      4.30543529     -0.00447358     -0.59710787
+C      3.35506346     -1.13719188     -0.07797009
+C      3.01793093     -2.23484715     -0.95539173
+N      2.73600421     -3.09367260     -1.69471425
+H      3.63146485      1.56155878      0.86181598
+H      3.01333582      1.87236526     -0.78225336
+H      4.38676563     -0.01740541     -1.68972509
+H      5.30721552     -0.00874979     -0.15541894
+H      3.67437861     -1.52452234      0.90360437 
+
+14
+-1482.937677091413 9.942656 11.02301 -10.5824 -8.3949 -11.384 0.6698 -0.4097 1.468 11.4595 -1.03695 5.372437366 9.8332304712 0.185851328
+O      0.86907504     -0.03002809      0.09803134
+C      2.28557163     -0.00745454      0.06285441
+C      3.06791023      1.07540269      0.88233440
+C      4.13187414     -0.00223637      1.21582633
+C      3.10144918     -1.09783867      0.83847528
+C      2.67561196      0.02713364     -1.35359745
+N      3.05748875      0.05521870     -2.45487883
+H      0.60649642     -0.05257438      1.03569262
+H      2.47261634      1.34880766      1.76651323
+H      3.37286469      1.98686525      0.35460639
+H      4.97194581      0.02498389      0.50987804
+H      4.52588345     -0.01680389      2.23868750
+H      3.43396246     -1.97752350      0.27469691
+H      2.51536991     -1.42477240      1.71055984 
+
+14
+-1486.6223183332713 10.044934 11.22645 -10.4645 -8.2342 -11.582 0.7712 -0.2943 1.397 11.19879 -1.00387 5.3417756282 11.9407073034 0.22992485
+O      0.92738838     -0.00512632      0.15229855
+C      2.34047671     -0.03929726      0.03564547
+C      3.05611413      1.04729941      0.86069043
+C      4.14232078     -0.01307930      1.25233126
+C      3.12809264     -1.12652855      0.81885695
+C      5.34112371      0.04065564      0.43108218
+N      6.30001710      0.08064232     -0.23433373
+H      0.54253903     -0.55514736     -0.55140516
+H      2.65657978     -0.00735022     -1.02103649
+H      2.45315363      1.30751775      1.74098323
+H      3.38865449      1.95825604      0.35004005
+H      4.44188534     -0.02302004      2.30895825
+H      3.52665161     -1.98887833      0.27084467
+H      2.54743267     -1.46299380      1.68801432 
+
+14
+-1488.2896823223025 10.142338 11.34237 -10.407 -8.2228 -11.401 0.8712 -0.2445 1.311 11.07936 -0.90614 5.3346092374 12.5287729014 0.287324777
+O      0.95226825     -0.01491063      0.08552551
+C      2.36076004     -0.01768432      0.04044214
+C      3.04378178      1.05692911      0.90448952
+C      4.14182600      0.02190517      1.26658800
+C      3.14097615     -1.10834983      0.86817297
+C      3.61969439     -2.28815877      0.17892265
+N      3.99406264     -3.21587694     -0.42476213
+H      0.61528808     -0.59957961     -0.61598677
+H      2.74030859     -0.00200460     -0.99550406
+H      2.40902471      1.28768883      1.77190122
+H      3.34287899      1.98970575      0.41219515
+H      4.99460726      0.05709759      0.57687820
+H      4.51009369      0.00121493      2.29827796
+H      2.52154941     -1.39892668      1.73014965 
+
+14
+-1494.2120257956567 9.728775 10.55784 -9.4304 -7.4286 -10.556 1.2201 -0.5399 0.481 9.6765 0.21762 4.0848055602 12.0102510508 0.183299411
+O      1.85413667      0.49500001      1.06236184
+C      2.74040717      0.08974297      0.34416743
+C      2.83268323     -1.31275930     -0.27863894
+C      4.16480793     -1.35695288     -1.04093166
+C      4.67237417      0.08420665     -1.00113793
+C      3.81520656      1.17352104     -1.52178251
+N      3.87258231      0.89813539     -0.04975328
+H      1.94774975     -1.44943269     -0.91714589
+H      2.75699815     -2.06553536      0.51732016
+H      4.88837554     -2.00435022     -0.52657332
+H      4.06534143     -1.73176371     -2.06965125
+H      5.75000499      0.25128188     -0.94355727
+H      4.24719840      2.13367423     -1.80900444
+H      2.89455371      0.90362200     -2.04806294 
+
+12
+-1354.833261910805 9.737069 10.01946 -9.4959 -7.5301 -9.99 -0.1189 -1.8184 -0.583 9.54993 1.08531 3.8339198892 5.149820503 0.282276004
+O      1.22526403     -0.29371159     -0.26341986
+C      2.38105005      0.08249974     -0.28074025
+C      2.95286402      1.36147910      0.21169612
+C      4.29820121      1.30332656      0.14469279
+C      4.71390270      0.00830562     -0.44827371
+C      4.35001042     -1.24880347      0.29286503
+N      3.48893444     -0.72895421     -0.79120446
+H      2.33847646      2.15013875      0.64067476
+H      5.00173895      2.07753858      0.45077836
+H      5.52885974     -0.02416069     -1.17550248
+H      4.87639370     -2.17768529      0.06183458
+H      3.99305428     -1.13894309      1.32078911 
+
+16
+-1618.8168589067502 10.195952 11.08379 -9.4193 -7.265 -10.995 0.7915 -0.1723 2.837 10.33669 -2.68116 8.5584064192 10.6595475668 0.13396163
+O      1.27030678      0.38700764      0.42911541
+C      2.59419627      0.00229839      0.05991871
+C      2.70426350     -1.47654065     -0.39727337
+C      2.61068986     -1.48591366     -1.94498530
+C      3.03369151     -0.08083250     -2.36328457
+N      1.96981549      0.93477862     -2.13959601
+C      3.08270913      0.79985281     -1.16267481
+H      0.84859886      0.62589707     -0.42652023
+H      3.22919583      0.19269739      0.93844471
+H      1.94237555     -2.09186147      0.09965878
+H      3.69262573     -1.86051816     -0.09666898
+H      3.26931043     -2.24622125     -2.38842860
+H      1.58806686     -1.68826683     -2.29664174
+H      3.71291343      0.06613863     -3.20594516
+H      2.13135502      1.75304573     -2.73443776
+H      3.79575576      1.61887824     -1.05421108 
+
+14
+-1492.927773216235 9.84971 10.62729 -9.0219 -6.9671 -10.48 1.0106 -0.7705 0.23 9.59148 0.50308 3.7574701216 12.0458474314 0.210998079
+O      1.83392549      0.17471257      1.37413667
+C      2.57125121     -0.02303916      0.42450460
+C      2.76126104     -1.34626417     -0.32746154
+C      4.19646767     -1.29553828     -0.89308955
+C      4.53157821      0.19017103     -0.96903154
+N      3.48820739      0.95845412     -1.66563563
+C      3.53774075      0.96744564     -0.16188405
+H      2.01309219     -1.37436581     -1.13456268
+H      2.56688099     -2.19377149      0.34028873
+H      4.89819336     -1.78868645     -0.20285453
+H      4.28989014     -1.78122198     -1.87527902
+H      5.57153996      0.51772985     -1.03026927
+H      3.88355343      1.85163199     -1.98040822
+H      3.76864818      1.88915216      0.37156601 
+
+12
+-1349.001319907349 9.695257 9.96504 -9.4417 -7.4229 -10.045 -0.4402 -2.1995 -0.883 9.53454 1.42986 3.4376606332 6.8666174492 0.203278319
+O      1.03631503     -0.15947559      0.01919526
+C      2.24190916      0.03588932      0.01751781
+C      2.94656582      1.33565048     -0.20983554
+C      4.27077100      1.17360483     -0.00842372
+C      4.61112253     -0.25450917      0.29406744
+N      4.32668491     -1.23186531     -0.78738381
+C      3.32384702     -1.00157696      0.28728879
+H      2.42826703      2.24145312     -0.52012868
+H      5.03072488      1.95121132     -0.09810041
+H      5.44732226     -0.50936920      0.94649581
+H      4.04782019     -0.71735332     -1.63331583
+H      3.09868015     -1.86010953      0.92055290 
+
+14
+-1474.1977772724902 10.17227 10.64878 -9.0218 -6.9277 -9.211 0.9512 -0.589 1.081 8.75503 -0.47462 5.9755424658 5.9755424658 0.238688814
+O      0.98743592      0.09903036     -0.00283535
+C      2.41981883     -0.01701527     -0.00349050
+C      3.02454149      1.29760560      0.43359284
+C      3.69887486      1.17002975      1.59092602
+C      3.70678890     -0.24200340      2.06660064
+N      4.38067237     -1.23522026      1.17469377
+C      2.93264869     -1.01454445      1.04504935
+H      0.62739867     -0.68105884     -0.46125075
+H      2.77238990     -0.29296732     -1.01793287
+H      2.93503016      2.20476678     -0.16393955
+H      4.22378856      1.97512743      2.10696091
+H      3.72962539     -0.48640717      3.12998826
+H      4.87655600     -0.71761335      0.43719903
+H      2.29673027     -1.86437986      1.30623819 
+
+12
+-1391.0558887765008 10.396343 10.15317 -8.9248 -7.0325 -9.026 0.5403 -0.9611 0.08 8.55126 0.46559 4.5139707006 6.5475394782 0.56209784
+O      1.04304447     -0.10352604      0.17226487
+C      2.39937087      0.01461910      0.03679690
+C      3.03437295      1.26781596     -0.05236918
+C      4.41938233      1.28843283     -0.18934047
+C      5.11901782      0.07758063     -0.23229936
+C      4.38251351     -1.10354861     -0.13407658
+N      3.04681371     -1.14924738     -0.00167180
+H      0.65562631      0.78990165      0.18962412
+H      2.45952165      2.19599199     -0.01532489
+H      4.94608805      2.24133021     -0.26171151
+H      6.20314644      0.04896120     -0.33872916
+H      4.88737188     -2.07415155     -0.16266294 
+
+16
+-1659.1635237410803 10.526105 11.37578 -9.0579 -7.0837 -10.495 0.766 -0.2422 0.617 9.53156 0.0667 4.3544999074 11.1889553882 0.165085123
+O      1.37422410      0.13980579      0.97107375
+C      2.38829229      0.05282479      0.27636019
+C      3.05237503     -1.28817259     -0.02020947
+C      3.99037717     -1.29011571     -1.23204996
+C      4.91482534     -0.07319403     -1.18057372
+C      4.09111667      1.21068679     -1.21235285
+N      3.01529024      1.17121427     -0.21950183
+H      2.24501629     -2.02655683     -0.11587706
+H      3.61008510     -1.55840537      0.89273340
+H      4.57240986     -2.22356402     -1.25978926
+H      3.39858143     -1.25995767     -2.16321490
+H      5.51836456     -0.10302963     -0.25781456
+H      5.61478405     -0.06742339     -2.02922712
+H      4.72850928      2.08301640     -1.00063208
+H      3.66934535      1.35231676     -2.22585236
+H      2.50834322      2.03401443     -0.02769215 
+
+14
+-1517.5585205459622 10.41842 10.84617 -9.2494 -7.2556 -9.534 0.7024 -0.23 0.564 9.54758 0.08288 4.3712008216 11.795718075 0.385570435
+O      0.85929027      0.10016294      0.05580296
+C      2.08921363      0.04065449      0.03004440
+C      2.82078613     -1.29479498      0.04636783
+C      4.31741572     -1.21875441      0.02637826
+C      4.98659234     -0.06234019     -0.01643231
+C      4.31500760      1.27294212     -0.04740277
+N      2.86114173      1.17163750     -0.01587996
+H      2.44160360     -1.87426185     -0.81261097
+H      2.46172600     -1.84263748      0.93388463
+H      4.86859075     -2.16272534      0.04748554
+H      6.07823150     -0.04778980     -0.03089705
+H      4.66307499      1.87887675      0.81071283
+H      4.63006887      1.82170615     -0.95545576
+H      2.32035687      2.03455410     -0.02772761 
+
+14
+-1521.1469446799642 10.528579 10.82139 -8.4668 -6.4956 -9.007 1.1699 -0.5042 0.261 8.54565 0.38053 4.3192134918 4.948343253 0.169516278
+O      0.90643877     -0.07763103      0.45213669
+C      2.10093237     -0.03810370      0.17267374
+C      2.84280325      1.22510334     -0.24472600
+C      4.32445058      1.24495125      0.16219155
+C      4.98403947     -0.07023155     -0.15338110
+C      4.25622964     -1.19910852     -0.13426383
+N      2.87984117     -1.18505351      0.14603872
+H      2.28623027      2.08218961      0.15334081
+H      2.76256705      1.26795636     -1.34548268
+H      4.41370205      1.45198926      1.24555575
+H      4.83638158      2.07502318     -0.34677589
+H      6.05118571     -0.12184409     -0.36366100
+H      4.67797302     -2.18644789     -0.32149992
+H      2.38573506     -2.05662273      0.32373316 
+
+12
+-1279.2448844284997 9.722372 9.81718 -7.7126 -5.7884 -8.104 0.5775 -0.6251 0.72 7.65973 -0.16373 4.607877697 6.198866049 0.448654352
+O      0.95884840      0.05312701     -0.29598728
+N      2.32842843      0.07131545     -0.01777657
+C      3.16135302      1.17742019     -0.11311698
+C      4.44787254      0.68521917     -0.01718682
+C      4.39673789     -0.74170927      0.07761240
+C      3.06258768     -1.09679990      0.04580485
+O      2.45495157     -2.31190410      0.10332941
+H      0.52899330      0.22507969      0.56770628
+H      2.75391027      2.17459098     -0.22572700
+H      5.34732765      1.29302952     -0.00521202
+H      5.23006017     -1.43024253      0.16397100
+H      1.55509909     -2.20668621     -0.26398727 
+
+12
+-1385.4971359016467 10.41282 10.13849 -8.7827 -6.9488 -8.944 0.5584 -0.9867 0.011 8.54036 0.53732 4.3243465122 6.4861168138 0.539753725
+O      0.97942128     -0.09697867      0.09819373
+C      2.34395316     -0.01442934      0.00527793
+C      3.04703463      1.19076958     -0.07926465
+C      4.43914848      1.13871611     -0.16992991
+C      5.07160241     -0.10631670     -0.17251591
+N      4.40263498     -1.27024051     -0.09142899
+C      3.06918350     -1.21846274     -0.00475149
+H      0.60519778      0.80238078      0.09431816
+H      2.51795597      2.14746397     -0.07424213
+H      5.02514313      2.05655703     -0.23756311
+H      6.16033865     -0.17684936     -0.24235992
+H      2.52756602     -2.16684013      0.06102628 
+
+18
+-1768.0653344775849 10.916242 11.81922 -8.9837 -6.874 -10.214 0.8349 -0.1229 2.964 9.47258 -2.71569 8.1492650178 10.420279384 0.127121023
+O      1.07772050      0.15569657      0.18534617
+C      2.50326055      0.03911866      0.09449599
+C      2.92873127     -1.33281287     -0.45808952
+C      2.51818735     -1.49267159     -1.92969451
+C      2.96608617     -0.28775770     -2.76198063
+N      2.45861218      0.94683058     -2.14385817
+C      3.04847915      1.14930583     -0.81384781
+H      0.80093122      0.42661295     -0.71564592
+H      2.89203429      0.16766585      1.11738698
+H      2.47998048     -2.12577515      0.15837677
+H      4.02535710     -1.42430771     -0.36347153
+H      2.94477975     -2.41649909     -2.34952195
+H      1.42192151     -1.58453353     -1.99709846
+H      4.07725618     -0.28373942     -2.83132620
+H      2.56935514     -0.35861139     -3.78579800
+H      2.64175005      1.75137810     -2.74383798
+H      4.15974211      1.11491090     -0.82385515
+H      2.73317498      2.12918900     -0.42678007 
+
+16
+-1637.2180844895304 10.573281 11.40434 -8.8453 -6.7265 -10.266 0.898 -0.7607 0.303 9.58028 0.43479 3.7222952934 11.0586708994 0.127255798
+O      1.13362956      0.10243001      0.51601512
+C      2.29627525      0.02812618      0.14959183
+C      3.01272993     -1.29828951     -0.04521357
+C      4.02283295     -1.28583218     -1.20483203
+C      4.88561223     -0.02581660     -1.16207767
+N      4.01198230      1.14739201     -1.23587650
+C      3.15276332      1.27644438     -0.05432322
+H      2.25941619     -2.09181477     -0.14144619
+H      3.55398829     -1.48057890      0.90266833
+H      4.65630982     -2.18476973     -1.16067447
+H      3.48264862     -1.30616937     -2.16418524
+H      5.51277001     -0.03918710     -0.24029347
+H      5.56796817     -0.00408833     -2.02451350
+H      4.56485466      1.99819528     -1.35019837
+H      3.72630242      1.40896623      0.89543841
+H      2.48035629      2.13728241     -0.16305946 
+
+11
+-1246.3917201351765 9.689505 9.39003 -9.1887 -7.228 -9.706 -0.0871 -1.7171 -0.595 9.37437 1.08431 3.6496270988 6.2855198644 0.690641332
+O      1.02157529     -0.01028495     -0.14062018
+C      2.36628358      0.03028097      0.00814302
+C      3.02098692      1.27292044      0.04292033
+C      4.39368872      1.22500930      0.19785515
+C      5.00118483     -0.03624115      0.30442536
+N      4.32028580     -1.18754244      0.26372987
+N      2.99160004     -1.14822366      0.11420806
+H      0.78873815     -0.96397149     -0.13719398
+H      2.46010336      2.20275704     -0.04843044
+H      4.99232114      2.13613254      0.23661875
+H      6.08077217     -0.14110660      0.42814405 
+
+15
+-1506.307816983789 10.191453 10.74232 -8.4305 -6.4451 -10.186 0.757 -0.3312 0.447 9.6602 0.22273 4.2663334628 11.2600489606 0.175775789
+O      1.35769216      0.18798831      0.88122694
+C      2.41965114      0.06667135      0.26743133
+C      3.05899370     -1.28326096     -0.02485668
+C      3.99666990     -1.26239887     -1.23763546
+C      4.91238379     -0.04891802     -1.14931531
+N      4.10020057      1.17721045     -1.21583866
+N      3.12687563      1.18350530     -0.13021121
+H      2.23781722     -2.00227703     -0.14322359
+H      3.60911739     -1.58141112      0.88318269
+H      4.59315510     -2.18513068     -1.28098214
+H      3.41285717     -1.20186717     -2.16967220
+H      5.51005854     -0.10709310     -0.21642942
+H      5.60599601     -0.00519401     -2.00119329
+H      4.72360383      1.96010897     -0.98845726
+H      2.54070784      2.01875657     -0.15666576 
+
+13
+-1381.9055028728494 9.847996 10.01142 -9.1037 -7.1775 -9.819 0.7166 -1.0319 -0.099 9.2924 0.64604 4.2947758512 5.3020009194 0.188340666
+O      0.90789642     -0.11743223      0.37109293
+C      2.11036676     -0.02412624      0.15059079
+C      2.82598303      1.26064467     -0.22724732
+C      4.31077672      1.22359469      0.15035493
+C      4.90900049     -0.09681823     -0.23728503
+N      4.26170809     -1.21215316     -0.21540750
+N      2.93682637     -1.14034789      0.18125458
+H      2.29243945      2.09817620      0.23796011
+H      2.70995819      1.37043166     -1.31907322
+H      4.42449319      1.34477576      1.24422040
+H      4.86222562      2.05410243     -0.31217840
+H      5.95700044     -0.17271005     -0.53699259
+H      2.47276524     -2.04480761      0.24598033 
+
+10
+-1157.245439068877 9.080332 8.80267 -9.9723 -8.0671 -10.353 -1.1078 -2.862 -1.817 9.86919 2.08691 3.8345026234 6.6681654576 0.470612632
+O      0.99125567     -0.12027277     -0.24691353
+C      2.18302013      0.01194734     -0.08094268
+O      2.96026761     -1.18020480      0.02544665
+N      4.33984173     -1.19442175      0.22313049
+C      4.93026814     -0.03722466      0.31083745
+C      4.26928201      1.23105565      0.21803764
+C      2.92775728      1.25502550      0.02549073
+H      6.00872391     -0.10926299      0.46540908
+H      4.85255056      2.14949757      0.30269689
+H      2.35201296      2.17624093     -0.05601273 
+
+12
+-1292.0316914508276 9.045163 9.34442 -10.0076 -7.9741 -11.265 0.6006 -1.24 -0.255 10.87652 0.85003 4.3239249598 6.518749929 0.259716532
+O      0.99571220     -0.09834775      0.58529624
+C      2.14729080     -0.01727492      0.22621023
+C      2.83644495      1.23759946     -0.25135041
+C      4.30706305      1.24551449      0.16680722
+C      4.90107787     -0.07582339     -0.19961766
+N      4.28424987     -1.19972030     -0.23087709
+O      2.90480124     -1.18136989      0.22378648
+H      2.27506440      2.09637269      0.13324298
+H      2.75854434      1.25293036     -1.35079050
+H      4.40450564      1.39629552      1.25656380
+H      4.86076140      2.06275382     -0.31555100
+H      5.94938424     -0.15964009     -0.50382030 
+
+14
+-1423.5149649556895 9.538668 10.13232 -8.9145 -6.9634 -10.813 1.0484 -0.3811 0.197 9.92301 0.46383 4.2257900408 6.458554726 0.117761299
+O      1.39423949      0.19490490      0.95963725
+C      2.40839632      0.04939619      0.28074235
+C      3.00484697     -1.30725654     -0.06607340
+C      4.02397969     -1.28412647     -1.21497771
+C      4.88219881     -0.03030052     -1.12897084
+O      4.04902561      1.13631402     -1.20769201
+N      3.17380659      1.14884898     -0.06627318
+H      2.16674044     -1.98750634     -0.26666635
+H      3.47710000     -1.66471874      0.86404776
+H      4.65851908     -2.18317804     -1.18650848
+H      3.50337976     -1.28132159     -2.18507263
+H      5.47176387     -0.00056065     -0.19399879
+H      5.56030326      0.06843244     -1.98748379
+H      2.69895011      2.05164236     -0.03280018 
+
+12
+-1355.3837226744347 9.009728 9.54904 -9.8383 -7.8108 -11.261 0.9782 -0.8685 -0.585 10.89616 0.98156 4.1411447986 6.4540168384 0.292908342
+O      1.28284887     -0.18686169      0.78272443
+C      2.36668564     -0.04769030      0.24871238
+C      3.10665580      1.25385678     -0.05662609
+C      4.42009310      0.83564606     -0.73214214
+C      4.38729469     -0.69091341     -0.78908541
+O      5.22820764     -1.44298063     -1.24351345
+N      3.17969425     -1.08983241     -0.20763804
+H      3.24938040      1.79928121      0.88612502
+H      2.46248823      1.87727119     -0.69139239
+H      4.53068156      1.21719195     -1.75626560
+H      5.31830562      1.14191941     -0.17899124
+H      2.91229420     -2.06967815     -0.12135748 
+
+12
+-1314.2651641517016 9.486815 9.949 -7.1652 -5.133 -7.852 0.6594 -0.39 0.874 7.52912 -0.30045 4.525612986 12.1854928632 0.514631435
+O      0.95946263     -0.13999006     -0.00607307
+C      2.31797163      0.05735979      0.00026697
+C      3.13438263      1.16229750      0.00358604
+C      4.49507537      0.68186654      0.01033310
+C      4.44190956     -0.68953353      0.01077441
+O      5.48129213     -1.58439773      0.01611005
+N      3.10769475     -1.07926130      0.00461364
+H      0.53568838      0.73516692     -0.00851573
+H      2.81464771      2.19973011      0.00153536
+H      5.39985859      1.27923223      0.01432203
+H      5.13838772     -2.49349233      0.01517682
+H      2.73915890     -2.02381814      0.00332038 
+
+12
+-1336.9540626641526 10.328375 11.16293 -9.6291 -7.6268 -10.262 0.8609 -0.2374 0.494 9.82259 0.21866 4.3866494772 10.9749803494 0.403915331
+O      1.27328059     -0.11646637      0.97328426
+C      2.32798353     -0.02994321      0.38180901
+C      3.25927719      1.12006291     -0.07235174
+C      4.16324313     -0.00291813     -0.68885986
+N      3.18436138     -0.97560953     -0.15328291
+C      4.32519390      0.00216144     -2.13426048
+C      4.47770671     -0.00091521     -3.33833853
+H      3.71685411      1.69252919      0.74294514
+H      2.80634664      1.79151777     -0.81007333
+H      5.14736936     -0.08572122     -0.19931497
+H      3.07830950     -1.97634493     -0.31665282
+H      4.60100396      0.00069730     -4.40236376 
+
+11
+-1245.4165571449498 9.191645 10.01315 -10.2129 -8.2024 -11.192 0.8179 -0.582 0.154 10.17507 0.54025 4.3992960492 11.8838225266 0.43969487
+O      1.23211739     -0.11665068      0.84559641
+C      2.30400199     -0.02947747      0.29320200
+C      3.25937826      1.12025502     -0.11649139
+C      4.20141061     -0.01024048     -0.65001569
+N      3.18036345     -0.97553947     -0.21766968
+C      4.47945223      0.00296295     -2.08633809
+N      4.71657533      0.00966410     -3.22849354
+H      3.66518569      1.70226033      0.71839427
+H      2.85479441      1.78284007     -0.88931510
+H      5.15323004     -0.09488974     -0.10193037
+H      3.13669059     -1.99103463     -0.29694883 
+
+16
+-1610.3115711775367 10.2291 11.16264 -8.7917 -6.7508 -10.517 0.8849 -0.1161 2.812 9.89255 -2.47278 8.3323675426 12.7238400752 0.155831955
+O      1.01271304      0.09357078      0.20485431
+C      2.44166749     -0.00610397      0.04721685
+C      2.76401357     -1.43280545     -0.42104942
+C      2.74572943     -1.34275280     -1.95635290
+N      3.26093935      0.01870754     -2.29259836
+C      2.20455150      1.04534085     -2.30776457
+C      3.02461270      0.85615646     -1.07868341
+H      0.79938753      1.03060304      0.35838759
+H      2.93607344      0.23019629      1.00609252
+H      2.06003759     -2.16574815     -0.00356097
+H      3.77750460     -1.69398790     -0.08149832
+H      3.40228509     -2.08912460     -2.42517391
+H      1.72902923     -1.48748863     -2.35579616
+H      2.39961051      1.89926140     -2.96175674
+H      1.16364556      0.71087880     -2.26514074
+H      3.81783939      1.56648636     -0.82890577 
+
+14
+-1487.4217837574402 9.819643 10.56727 -9.2665 -7.2469 -10.628 0.8579 -0.9116 0.192 9.64213 0.53343 3.7892105376 12.2193906356 0.277623709
+O      1.56692254      0.21521437      1.17495660
+C      2.46099110      0.03510189      0.36758983
+C      2.79000700     -1.28404591     -0.35449595
+C      4.23980334     -1.10347958     -0.82971614
+N      4.58332081      0.35527029     -0.79612780
+C      3.63421467      1.16382761     -1.55105186
+C      3.48662134      1.03749356     -0.06008656
+H      2.06220504     -1.43645700     -1.16640732
+H      2.66328673     -2.11856226      0.34601594
+H      4.93782119     -1.60390371     -0.14354573
+H      4.42964076     -1.48594626     -1.84222841
+H      4.03161608      2.10155985     -1.94396939
+H      2.89033355      0.67008117     -2.18417669
+H      3.72788585      1.87109598      0.60030347 
+
+12
+-1350.1270015715954 9.839905 10.03648 -9.2355 -7.307 -9.883 -0.0867 -1.7673 -0.628 9.30984 1.23217 3.6051161248 5.0037773936 0.316618933
+O      0.91853486     -0.05981584      0.37560380
+C      2.10296536      0.10565933      0.11046486
+C      2.91553645      1.33811662      0.20661744
+C      4.16426894      1.06313873     -0.23189830
+N      4.32684587     -0.24928780     -0.76843627
+C      4.30845281     -1.27156708      0.30516562
+C      3.05687015     -0.93045062     -0.45797478
+H      2.55659543      2.27648084      0.62218762
+H      5.04794484      1.70120737     -0.20126907
+H      4.81471721     -2.21046815      0.07186326
+H      4.39294387     -0.91200483      1.33372989
+H      2.67954422     -1.64588857     -1.18975407 
+
+13
+-1374.3324179157553 10.155346 10.31627 -8.4628 -6.4895 -8.89 1.0133 -0.6518 0.621 8.36434 -0.07202 4.9361802264 5.7309056892 0.130252166
+O      0.96466817      0.04489935     -0.05847886
+C      2.38258473     -0.03840708      0.03433236
+C      2.98369492     -1.27071451     -0.58965598
+C      3.95944981     -0.88720064     -1.43025266
+N      4.08726429      0.52175366     -1.48136330
+C      3.06189637      1.10459661     -0.73894575
+N      2.62792998      2.30763878     -0.66794517
+H      0.77255559      1.00563719     -0.08746236
+H      2.69956190      0.03129311      1.09751366
+H      2.72913802     -2.29054201     -0.31983972
+H      4.65166204     -1.49977140     -2.00434540
+H      4.52342722      0.99792911     -2.26622255
+H      3.13626696      2.95666781     -1.28121428 
+
+15
+-1515.7365627564188 10.38339 10.9322 -8.5412 -6.6379 -9.566 0.8806 -0.2316 1.036 8.7386 -0.39486 4.8577342842 6.048223059 0.199774121
+O      0.96232260      0.06121463      0.07498884
+C      2.38286485      0.00054247      0.03126677
+C      2.99067861      1.16416371      0.81596953
+C      4.36329205      0.62209372      1.24793196
+N      4.09577061     -0.80308024      1.39628654
+C      3.00381015     -1.24678168      0.68969960
+N      2.65398710     -2.48321910      0.62368820
+H      0.60751601     -0.67875861     -0.44895510
+H      2.73899645      0.02182711     -1.01920174
+H      2.35688691      1.34193759      1.69747162
+H      3.05814237      2.09276436      0.23647148
+H      5.13137777      0.82201790      0.47696571
+H      4.70951041      1.06314359      2.19380684
+H      4.78284335     -1.46651804      1.74182941
+H      1.79477076     -2.58799741      0.07108032 
+
+12
+-1330.7451669636566 9.019374 9.51392 -9.1946 -7.1506 -10.684 -0.1662 -2.0731 -1.352 10.14257 1.68353 2.945597395 12.0933588666 0.156394738
+O      1.23860284     -0.09912166      0.75653382
+C      2.33253789     -0.01077178      0.24492725
+C      3.10206189      1.26283797     -0.07806469
+C      4.41848896      0.80474500     -0.73396114
+N      4.33728414     -0.65526415     -0.72624672
+C      3.20148887     -1.21569169     -0.20031804
+O      2.92889955     -2.40167454     -0.10156848
+H      3.26568380      1.82898029      0.84947241
+H      2.49500962      1.89710209     -0.73845332
+H      4.51428829      1.18093656     -1.76431044
+H      5.29922030      1.14540640     -0.16816352
+H      5.07728384     -1.24407448     -1.10002711 
+
+12
+-1320.7679067786921 9.224514 9.57632 -8.9357 -6.8865 -9.349 0.7346 -0.9977 0.104 8.90627 0.5429 4.2686148052 5.8185265954 0.166851151
+O      0.96042106      0.03844462     -0.07110797
+C      2.37456455     -0.05976328      0.03705660
+C      2.96764249     -1.28226447     -0.60495395
+C      3.95725563     -0.88939523     -1.42598020
+N      4.08171367      0.51905437     -1.45860415
+C      3.08430462      1.10548554     -0.69843165
+O      2.78745239      2.28964666     -0.63872229
+H      0.74784045      0.98782719      0.03014621
+H      2.69277304     -0.00960886      1.10170248
+H      2.69405098     -2.30613876     -0.37087778
+H      4.64799325     -1.49570852     -2.00737145
+H      4.61430786      1.03837074     -2.15156585 
+
+14
+-1466.1184544224072 9.377743 10.12925 -9.5846 -7.5313 -10.753 0.7342 -0.239 0.41 9.79931 0.26563 4.3483378032 6.3641889814 0.140763454
+O      0.99942972      0.00720556     -0.04458739
+C      2.41347259      0.05010605     -0.03670711
+C      2.99978912      1.19293017      0.79453818
+C      4.36394171      0.63371902      1.25625285
+N      4.11649771     -0.80770136      1.30930826
+C      3.00850821     -1.20568030      0.61959004
+O      2.53294059     -2.33455239      0.52992036
+H      0.77188047     -0.94624932     -0.05806339
+H      2.80866591      0.08778045     -1.07478645
+H      2.34197247      1.35557156      1.66110272
+H      3.09808766      2.13667702      0.24481813
+H      5.16542802      0.87406966      0.53611460
+H      4.66342331      1.01833422      2.24119644
+H      4.73836253     -1.47732036      1.75402276 
+
+12
+-1388.544174611124 10.363535 10.1376 -9.3135 -7.4641 -9.369 0.8545 -0.6338 0.073 9.14802 0.51318 4.5520963956 6.1467175374 0.581196274
+O      0.96287793     -0.04407359      0.09811460
+C      2.32364132      0.03367174      0.00995304
+C      3.02620156      1.24418190     -0.03456857
+C      4.41904763      1.19821163     -0.12487316
+N      5.14002528      0.06622322     -0.17254701
+C      4.43987873     -1.08251432     -0.12817904
+C      3.05122680     -1.16158714     -0.03822220
+H      0.59665670      0.85889054      0.12254066
+H      2.50459136      2.20383019      0.00012532
+H      4.98616208      2.13362022     -0.16070896
+H      5.02866491     -2.00415471     -0.16698998
+H      2.53520570     -2.12111968     -0.00548470 
+
+18
+-1765.0926825735248 10.925949 11.85895 -8.4028 -6.2961 -9.854 0.8005 -0.2019 2.909 9.15381 -2.63206 7.9788586594 10.5631236546 0.11284324
+O      1.00480388     -0.02584134      0.11912359
+C      2.44516833      0.02848915      0.04587744
+C      2.90720433     -1.32190344     -0.50984056
+C      2.55525673     -1.47261980     -1.99860666
+N      3.02843241     -0.36691204     -2.84367719
+C      2.57227804      0.93032453     -2.32930234
+C      2.92636292      1.17806273     -0.85380345
+H      0.69410315      0.83438662      0.45019678
+H      2.85758138      0.16213738      1.06472250
+H      2.44840359     -2.12943667      0.08264816
+H      4.00004502     -1.39675321     -0.37658646
+H      2.96529969     -2.41428809     -2.39442678
+H      1.45976559     -1.52839918     -2.10802809
+H      4.05343610     -0.37629047     -2.86351138
+H      2.99143933      1.72676267     -2.96307779
+H      1.47661177      0.96629153     -2.45184009
+H      4.02151303      1.27295084     -0.74446030
+H      2.49401471      2.13318878     -0.50486738 
+
+16
+-1638.7980328876527 10.560732 11.30178 -8.9814 -6.9325 -10.362 0.7623 -0.8219 0.255 9.60916 0.47309 3.7574949188 11.4972093814 0.114513521
+O      1.02783803      0.04224201      0.19124826
+C      2.24938559      0.01803647      0.11004007
+C      3.04567074     -1.27225352      0.03428475
+C      4.01603222     -1.23991360     -1.17959394
+N      4.85326319     -0.04601370     -1.24780541
+C      4.06240680      1.18023545     -1.20492964
+C      3.09435868      1.27508500      0.00751563
+H      2.35023943     -2.12163212     -0.02026600
+H      3.64126078     -1.37065224      0.95881554
+H      4.66176614     -2.13011412     -1.16757294
+H      3.42257317     -1.29017791     -2.10848293
+H      5.53250177     -0.05100687     -0.48195101
+H      4.74176247      2.04511122     -1.21114347
+H      3.47101671      1.23383807     -2.13494984
+H      3.69353235      1.37007025      0.93009432
+H      2.43186193      2.14907563     -0.06517339 
+
+14
+-1511.129151713742 10.894023 10.84774 -8.3552 -6.4746 -9.081 0.5314 -1.0976 -0.499 8.9155 1.15175 3.5349152516 4.4115706632 0.306399168
+O      0.87746747     -0.04127677     -0.36525056
+C      2.09302094     -0.03271328     -0.15119005
+C      2.82046487      1.26667686      0.23018092
+C      4.28435446      1.26362010     -0.20336472
+N      4.93937221      0.04288335      0.27261208
+C      4.27077921     -1.13790835      0.11573847
+C      2.92875570     -1.22208781     -0.14131063
+H      2.28344530      2.11515628     -0.21294262
+H      2.74967551      1.36450886      1.32751444
+H      4.82090678      2.13462066      0.19802253
+H      4.34073988      1.30534728     -1.30913397
+H      5.95233468      0.00994803      0.22065523
+H      4.88227102     -2.03626386      0.22984054
+H      2.45377196     -2.19429134     -0.26143166 
+
+11
+-1266.8829787909497 9.544153 9.36643 -9.6849 -7.7033 -9.77 0.3985 -1.219 -0.155 9.28607 0.76667 4.3917329032 6.5557473514 0.447278424
+O      1.03335254     -0.10711219      0.13299051
+C      2.38245426      0.01429343      0.03193179
+C      3.03736183      1.25619475     -0.03692239
+C      4.42281711      1.21298333     -0.13995156
+N      5.12270914      0.06282684     -0.17303630
+C      4.37916799     -1.04989292     -0.09807251
+N      3.04533976     -1.14283359      0.00257206
+H      0.63734642      0.78373156      0.14457837
+H      2.49877742      2.20543681     -0.01129087
+H      5.00147155      2.13953829     -0.19869008
+H      4.92185199     -1.99997631     -0.12191902 
+
+13
+-1399.3939005667874 9.72333 10.03104 -9.4753 -7.574 -10.251 0.8562 -0.943 -0.153 9.95618 0.58165 4.2671393718 5.5923017398 0.155062471
+O      0.90934968     -0.08118616      0.50013728
+C      2.09171849     -0.02065879      0.19499769
+C      2.82777357      1.22668095     -0.25386270
+C      4.31948079      1.17596993      0.10078113
+N      4.98241892     -0.07464370     -0.27965301
+C      4.25619394     -1.12363195     -0.20296919
+N      2.90330985     -1.15587690      0.16882077
+H      2.32505327      2.10249937      0.17558862
+H      2.70391484      1.28343083     -1.34963724
+H      4.45439396      1.30266618      1.19115972
+H      4.85088208      2.01178615     -0.37571776
+H      4.68602960     -2.10705009     -0.42333438
+H      2.43592102     -2.04878582      0.32060907 
+
+10
+-1192.5696245966872 8.981124 8.80102 -9.83 -7.9114 -9.788 -0.5808 -2.3203 -1.287 9.31065 1.76177 4.2064606234 8.9105142606 0.267453047
+O      0.98281693      0.11960016      0.18619205
+C      2.17196657     -0.04331955      0.07331265
+O      3.00298432      1.15361631      0.01460895
+C      4.33641982      1.04199347     -0.11107679
+N      5.02871918     -0.04781489     -0.19239317
+C      4.29581554     -1.21801879     -0.14232246
+C      2.93949414     -1.26128357     -0.01668370
+H      4.82166167      2.02169536     -0.14101396
+H      4.88028329     -2.13869024     -0.21087347
+H      2.38797853     -2.19925827      0.02023989 
+
+12
+-1315.5544289377121 9.585168 9.87391 -7.182 -5.2512 -7.879 0.9233 -0.1509 0.808 7.42737 -0.2263 4.5075482258 6.09577169 0.376105888
+O      0.91413473     -0.09733446      0.00626582
+C      2.27602436      0.03669359      0.00124735
+C      3.09861834      1.14677321      0.00010314
+O      2.58326305      2.43366660      0.00446667
+C      4.44672084      0.68244713     -0.00597145
+C      4.40386134     -0.70240821     -0.00833911
+N      3.07258569     -1.08262788     -0.00388383
+H      0.54241815      0.80340940      0.00935163
+H      3.32466763      3.06039688      0.00279987
+H      5.34702421      1.29056699     -0.00833498
+H      5.19791168     -1.43884114     -0.01278017
+H      2.71741998     -2.03132209     -0.00428494 
+
+11
+-1244.8493090644845 9.966013 9.437 -8.8625 -6.9775 -9.294 0.2302 -1.4826 -1.112 8.62922 1.69727 3.3143069618 6.9914093582 0.456303405
+O      0.92637349     -0.06624403      0.15293064
+C      2.16094335     -0.01567405      0.04771940
+C      2.94549733      1.20750911     -0.05501958
+C      4.30245937      1.12786601     -0.16723195
+N      4.92987390     -0.08470453     -0.18383659
+N      4.30113058     -1.27561382     -0.09489638
+C      2.99689107     -1.23234861      0.01377940
+H      2.44155882      2.17268257     -0.04122640
+H      4.96037897      1.99445366     -0.24859643
+H      5.93989610     -0.15275889     -0.26704699
+H      2.49684702     -2.20124741      0.08528488 
+
+13
+-1367.1051721890776 10.248779 10.05631 -8.8424 -6.9841 -9.554 -0.138 -1.9221 -1.264 8.94749 1.67913 3.1228477806 4.0819662808 0.170572843
+O      0.91708823     -0.10431231     -0.35177975
+C      2.12486506     -0.01321416     -0.13503637
+C      2.80497118      1.30609741      0.22245712
+C      4.26899429      1.26030476     -0.20153232
+N      4.88296347      0.05033377      0.34553826
+N      4.29689249     -1.14143681      0.17945933
+C      3.01606478     -1.17972143     -0.10436530
+H      2.26868791      2.13744280     -0.25226548
+H      2.72262733      1.43219449      1.31602976
+H      4.83296948      2.13335948      0.15421206
+H      4.33281998      1.23148534     -1.30837098
+H      5.89715402     -0.02010032      0.32033409
+H      2.57539178     -2.17135303     -0.22221041 
+
+13
+-1345.3802164102883 9.734231 9.93643 -9.3884 -7.3989 -9.72 0.208 -1.5916 0.074 9.4008 0.51382 4.3939274554 8.6684439942 0.224319294
+O      1.07580315     -0.10880695      0.60631911
+C      2.40138154      0.05048833      0.10309363
+C      2.60755551      1.28199336     -0.78447245
+C      3.96857282      1.12236530     -1.41720940
+N      4.48037340     -0.01864500     -1.73142892
+N      3.61139460     -1.14293889     -1.68065459
+C      2.68987958     -1.13476402     -0.78523161
+H      0.90686804      0.60331617      1.24665912
+H      3.14177887      0.07090039      0.93040265
+H      2.56442300      2.21820332     -0.21051217
+H      1.81178019      1.31798484     -1.55094483
+H      4.61467449      1.99428795     -1.56448518
+H      2.02904481     -2.00656481     -0.72138535 
+
+15
+-1490.3693598587074 10.448905 10.67638 -8.2925 -6.3867 -8.98 0.9861 -0.3543 0.744 8.42812 -0.14747 4.673404298 5.3765537012 0.182922935
+O      0.93041977      0.09283987     -0.40152326
+C      2.29884659      0.03381269      0.06530797
+C      3.08040637      1.31471319     -0.25827958
+C      3.53470722      1.25455268     -1.71443992
+N      4.39254537      0.08015309     -1.85700525
+N      3.91001523     -1.13076331     -1.45384687
+C      2.94921301     -1.16028947     -0.58511062
+H      0.43801912      0.66737482      0.21224425
+H      2.30088691     -0.13379780      1.15978994
+H      2.45167200      2.19891891     -0.07732990
+H      3.96283871      1.38305008      0.39882404
+H      4.11088129      2.14377504     -2.00575016
+H      2.64128111      1.17749694     -2.36589455
+H      4.87260746     -0.01729733     -2.74825522
+H      2.61736984     -2.15629941     -0.28223088 
+
+12
+-1277.5045640959916 9.758858 9.89792 -7.8658 -5.9558 -8.267 0.7542 -0.3529 0.663 7.7615 -0.13463 4.7381373886 6.06043568 0.375846063
+O      0.94626237      0.20945601     -0.31498904
+N      2.32234220      0.12184158     -0.11077395
+C      3.16948319      1.19394425     -0.10912931
+C      4.46029926      0.68873101     -0.00603858
+C      4.35637219     -0.72648077      0.03299364
+O      5.45277247     -1.55184287      0.13406792
+C      3.01267500     -1.07637003     -0.04376826
+H      0.56274077      0.23283160      0.58594523
+H      2.78985490      2.20615378     -0.18529980
+H      5.37616692      1.26888846      0.03540072
+H      5.14982513     -2.47580787      0.12130297
+H      2.49382561     -2.02710515     -0.07145154 
+
+10
+-1184.0794139676084 8.872121 8.78694 -9.6676 -7.6992 -10.358 0.0902 -1.6992 -1.106 9.39248 1.68276 3.5165405264 6.4254876598 0.313662609
+O      0.97245365     -0.05860517      0.18258493
+C      2.18833073      0.00196369      0.07073350
+C      2.94329396      1.25615979     -0.01790016
+C      4.28391533      1.23425934     -0.14141835
+O      4.99588095      0.06549989     -0.18901150
+C      4.24728014     -1.08817424     -0.10146645
+N      2.98168438     -1.19040190      0.01696475
+H      2.40640747      2.20276128      0.01709666
+H      4.93653467      2.10337424     -0.21503764
+H      4.90833872     -1.95822693     -0.14833574 
+
+10
+-1148.7631043160827 9.130664 8.78554 -9.627 -7.6853 -10.363 -0.4952 -2.311 -1.753 9.59574 2.25755 3.105167377 7.3568704918 0.324184117
+O      0.91185741     -0.07623089      0.08964284
+C      2.14303813     -0.00501353      0.03099781
+C      2.93227991      1.20812299     -0.05101508
+C      4.28165203      1.10511285     -0.11096486
+O      4.97618681     -0.05467336     -0.10022131
+N      4.28611746     -1.28867388     -0.02008911
+C      2.99465742     -1.21919307      0.03807069
+H      2.44998917      2.18413406     -0.06475319
+H      4.97022116      1.95009534     -0.17524065
+H      2.50425049     -2.19553050      0.09900284 
+
+12
+-1277.603690212924 9.290145 9.3956 -9.6758 -7.6513 -11.017 -0.5944 -2.4885 -1.648 10.08603 1.98113 3.1050185938 5.5173026084 0.235227185
+O      0.92510036     -0.10869244     -0.43231162
+C      2.11373010      0.01014355     -0.15907332
+C      2.78303222      1.31259285      0.23091717
+C      4.24784061      1.21092701     -0.14764686
+O      4.89388005      0.05946219      0.46862563
+N      4.26069599     -1.15270007      0.31310159
+C      3.01877672     -1.15871964     -0.07740084
+H      2.29102221      2.15759269     -0.26932819
+H      2.66240288      1.44771925      1.31908246
+H      4.84625478      2.06815924      0.18388807
+H      4.35900739      1.09058304     -1.24064674
+H      2.58786669     -2.15443767     -0.20781735 
+
+14
+-1404.3581741639039 9.590568 10.00798 -9.3151 -7.3476 -10.563 0.8839 -0.7033 0.363 10.08969 0.23888 5.0093691622 6.5030904972 0.207585235
+O      0.93388843      0.08579693     -0.40595142
+C      2.29142256      0.04161367      0.07478691
+C      3.07737086      1.31472687     -0.24534927
+C      3.53312285      1.21191342     -1.68929066
+O      4.42634012      0.08634754     -1.86865665
+N      3.96218356     -1.13899861     -1.38888185
+C      2.96635572     -1.14146323     -0.56767815
+H      0.43003685      0.66769138      0.19099954
+H      2.29461540     -0.14293517      1.16606281
+H      2.44815832      2.20471706     -0.09498895
+H      3.95135876      1.39801169      0.42020163
+H      4.11774468      2.07696292     -2.02666427
+H      2.66015521      1.07177917     -2.35170511
+H      2.64887669     -2.14531367     -0.27223456 
+
+16
+-1601.611799530451 10.245894 11.18741 -8.6488 -6.6274 -10.567 0.8934 -0.0937 2.877 9.90881 -2.5964 8.535010261 12.0127679666 0.079580738
+O      0.97565146      0.08702230      0.09370345
+C      2.40628927      0.02288357      0.01793396
+C      3.06572565     -1.05697928      0.94669303
+N      3.85088767     -0.23619057      1.92330884
+C      4.46084089      0.76382238      0.94201870
+C      3.01443903      1.25313326      0.69931506
+C      2.83720560      0.87288204      2.19143944
+H      0.61521950     -0.68470112     -0.37405001
+H      2.72820027     -0.06341048     -1.03558305
+H      3.74233460     -1.73999644      0.41315667
+H      2.30226320     -1.64429821      1.47721572
+H      5.02787071      0.31398363      0.11171462
+H      5.08413425      1.48745932      1.48434339
+H      2.75910676      2.23469908      0.27754091
+H      3.27090250      1.60596119      2.88449824
+H      1.85065865      0.53575934      2.53690104 
+
+14
+-1474.3281460135786 9.7264 10.57349 -8.704 -6.637 -10.392 1.1942 -0.6282 0.338 9.61273 0.39652 3.8446570768 12.711788636 0.186244426
+O      1.07299456      0.00361253      0.08621259
+C      2.28484081      0.05026831      0.03145944
+C      3.31961707     -1.09837629      0.05313255
+N      4.60484012     -0.33883129     -0.04365745
+C      4.22414587      0.67814038     -1.11589283
+C      3.21586040      1.25242890     -0.07740342
+C      4.30924030      0.79597335      0.93311279
+H      3.19683009     -1.78279276     -0.79830362
+H      3.27108859     -1.68241946      0.98312209
+H      3.84202849      0.25119117     -2.05446297
+H      5.07126531      1.34897263     -1.31271641
+H      2.75538159      2.24571494     -0.11542285
+H      5.16658239      1.48080808      0.98117015
+H      4.00797440      0.48095950      1.94265996 
+
+12
+-1313.5811417834072 10.302618 10.97123 -9.4276 -7.3204 -9.858 0.5445 -1.2848 0.09 9.60675 0.67852 3.6911376116 11.1421010788 0.298923388
+O      1.15504304     -0.00911502      0.78621200
+C      2.26920797     -0.03471032      0.33984606
+C      3.24802471      0.98514261     -0.24144497
+N      4.31924316     -0.05716496     -0.21481695
+C      3.35541124     -1.15626244      0.15261217
+C      3.04527439     -2.12135003     -0.88036670
+C      2.79020130     -2.89712507     -1.78022163
+H      3.45001257      1.86624747      0.38695307
+H      2.92831041      1.32529805     -1.24208072
+H      4.73527678     -0.22125227     -1.13359594
+H      3.62505384     -1.65810030      1.09777752
+H      2.56618059     -3.59123772     -2.56438391 
+
+16
+-1598.091430365532 11.187616 11.84985 -8.916 -6.7804 -9.368 0.8589 -0.1407 1.359 8.84927 -0.78276 6.5830862644 6.5830862644 0.492077243
+O      0.94727342     -0.35257518      0.03456066
+C      2.35343693     -0.17805333      0.03128559
+C      2.94777118      1.03277011      0.82835903
+N      3.92639599      0.14031429      1.52544481
+C      3.20851901     -1.06342229      1.00047679
+C      2.85063252     -0.23175677     -1.38248702
+C      2.08951155     -0.40624903     -2.46676769
+H      0.64953257     -0.31658768      0.95956510
+H      2.21780282      1.45353812      1.54164294
+H      3.37604192      1.85555823      0.23764633
+H      4.84593500      0.21865581      1.08583395
+H      3.83540760     -1.84176026      0.54142413
+H      2.58865682     -1.52853357      1.78664971
+H      3.93482713     -0.11350293     -1.48591257
+H      1.00943999     -0.52521960     -2.38043042
+H      2.53098554     -0.43234592     -3.46336133 
+
+14
+-1438.608059352577 10.617592 11.56377 -9.1152 -6.9788 -9.726 0.948 -0.1825 2.219 9.59883 -1.80682 4.3637988574 11.1862896892 0.448745734
+O      0.82454798     -0.03656518      0.18815705
+C      2.23918529     -0.01385107      0.03877361
+C      3.06460964      1.04464353      0.84856830
+N      4.02275658     -0.00671635      1.31316151
+C      3.09518257     -1.07126482      0.81758662
+C      2.54420893      0.01147267     -1.38725843
+C      2.87211271      0.03369253     -2.55519412
+H      0.64005749     -0.05359754      1.14516200
+H      2.47787759      1.44381332      1.69397981
+H      3.49434381      1.88050597      0.28108958
+H      4.85525803      0.01398734      0.71930620
+H      3.54864206     -1.87741773      0.22608261
+H      2.52058134     -1.51182370      1.65068923
+H      3.13755600      0.05298103     -3.59259397 
+
+16
+-1598.32420252234 11.237477 12.05543 -8.8153 -6.6933 -9.518 0.9958 -0.2494 1.164 9.03991 -0.58892 6.5370626612 6.5370626612 0.432360494
+O      0.83242580     -0.02116897      0.21070777
+C      2.24117438      0.06691886      0.07301673
+C      2.93105293      1.09877112      0.97435220
+N      4.04096355      0.12664824      1.28016900
+C      3.16717392     -0.98620241      0.77315533
+C      3.76722133     -2.08169857     -0.03326708
+C      5.06751788     -2.23198934     -0.31679016
+H      0.47280858     -0.50591974     -0.55129650
+H      2.54126939      0.19087720     -0.98303691
+H      2.34102292      1.29620558      1.88301441
+H      3.23880900      2.05285852      0.52557137
+H      4.78681470      0.27664922      0.59127388
+H      2.61220808     -1.41360153      1.62975683
+H      3.04892354     -2.81799999     -0.41316866
+H      5.82781313     -1.54925902      0.06920674
+H      5.42147088     -3.06413919     -0.92611493 
+
+14
+-1441.7966986368851 10.860838 11.79688 -8.9298 -6.8306 -9.726 0.8546 -0.1828 2.065 9.42744 -1.70153 4.3531980544 11.1415555404 0.406957722
+O      0.89413876      0.05665237      0.12044147
+C      2.30255630     -0.02146306      0.03801552
+C      3.06447522      1.02279495      0.86439880
+N      4.01763699     -0.02585804      1.37439400
+C      3.06467374     -1.10030582      0.88690321
+C      3.63812657     -2.23468947      0.19916926
+C      4.13298104     -3.15666499     -0.41960841
+H      0.50960284     -0.53152465     -0.55233054
+H      2.65379233     -0.05386852     -1.00776014
+H      2.44876558      1.41004674      1.69121409
+H      3.52022274      1.86409404      0.32578191
+H      4.84594491     -0.04889772      0.77066022
+H      2.43529795     -1.43034310      1.73150130
+H      4.56692502     -3.98076273     -0.94815068 
+
+11
+-1221.7946356292096 9.151649 9.8365 -10.1594 -8.0676 -10.884 0.0904 -1.8251 -0.355 10.19601 1.06432 3.7192576364 11.6013948172 0.106803721
+O      1.16023324     -0.01537909      0.80587947
+C      2.26134894     -0.02344651      0.33562287
+C      3.25904994      1.01023739     -0.18183338
+N      4.30737499     -0.05430031     -0.21669152
+C      3.32786439     -1.15416844      0.04827188
+C      2.98870324     -1.99682278     -1.08696764
+N      2.73940454     -2.63383183     -2.03422273
+H      3.47952532      1.84954809      0.49488739
+H      2.94288675      1.40874973     -1.16188757
+H      4.77251645     -0.14690995     -1.12128328
+H      3.57763221     -1.77406630      0.92466451 
+
+13
+-1349.402922133054 9.530565 10.47937 -9.8796 -7.6597 -11.023 0.7224 -0.4262 1.37 10.29062 -0.93787 5.3811659804 12.5596082196 0.249980906
+O      0.91700796     -0.03491219      0.38532247
+C      2.27561120     -0.00599269     -0.02473086
+C      3.15564609      1.04749243      0.72439150
+N      3.51319876     -0.02360252      1.69245719
+C      3.18719372     -1.06327077      0.68000376
+C      2.31212407      0.02527149     -1.48478168
+N      2.41250330      0.05118241     -2.64611536
+H      0.92751308     -0.05518760      1.36119046
+H      2.60754025      1.90376357      1.14431913
+H      3.98646266      1.40292209      0.09083880
+H      4.48208278     -0.01591732      2.01577329
+H      4.02785056     -1.36678690      0.03258264
+H      2.66516557     -1.95241201      1.06323866 
+
+15
+-1486.4702756642096 10.72752 11.26139 -8.4302 -6.5361 -9.38 0.642 -0.4396 0.985 8.54448 -0.41284 5.002029191 11.4218630892 0.252072828
+O      0.98705080      0.13227995      0.37145144
+C      2.37019547      0.08910056      0.06017506
+C      3.19802674      0.93867042      1.05506046
+N      3.88803965     -0.28655227      1.48917765
+C      3.16616745     -1.16404909      0.54761182
+C      5.17897768     -0.39702053      1.93844490
+N      5.94885720      0.51825661      2.41846974
+H      0.50228486     -0.36998741     -0.30642958
+H      2.55264419      0.33999346     -0.99690720
+H      2.58382291      1.41544263      1.83498432
+H      3.86647788      1.68673643      0.59568347
+H      3.80639864     -1.63885174     -0.21394685
+H      2.53512451     -1.92247144      1.03817839
+H      5.55773886     -1.42931617      1.88259712
+H      5.47251318      1.43327859      2.43028927 
+
+13
+-1351.405989897158 9.663657 10.60532 -9.5582 -7.4157 -10.708 0.954 -0.4761 1.204 10.16296 -0.81975 5.3399034396 12.1495493218 0.241913342
+O      0.90185716      0.01131626      0.13453453
+C      2.30497105     -0.03542127      0.03346559
+C      3.05673224      1.01825483      0.86183822
+N      4.01421895     -0.01994196      1.38501202
+C      3.09317598     -1.10184517      0.88063692
+C      3.70336229     -2.20408597      0.16146525
+N      4.19436695     -3.05860198     -0.46584493
+H      0.51378370     -0.53219118     -0.57307571
+H      2.64756277     -0.05740272     -1.01445477
+H      2.43442246      1.40917873      1.68129125
+H      3.51055086      1.85571874      0.31658052
+H      4.86782335     -0.02188525      0.81874891
+H      2.47289224     -1.48777306      1.70670221 
+
+14
+-1417.6356019437467 9.422631 10.23478 -9.4557 -7.2165 -10.788 0.6126 -1.3471 -0.113 10.10528 0.77866 3.678416648 7.9032024022 0.1093254
+O      0.95281633      0.24816946      0.32061483
+C      2.32051093      0.06608449     -0.01483733
+C      3.33048287      0.97894667      0.74981688
+N      3.57902960     -0.13592397      1.70456244
+C      3.04365494     -1.11013982      0.71434503
+C      2.39904994      0.08111578     -1.52809001
+O      3.43585076     -0.05062724     -2.15043428
+H      0.88363104      0.24104295      1.29200916
+H      2.89596017      1.88703158      1.19559313
+H      4.18661031      1.24062392      0.10494378
+H      4.56198387     -0.27503291      1.94835223
+H      3.80053505     -1.57119640      0.05719333
+H      2.37842981     -1.88184449      1.13159027
+H      1.41343436      0.22537998     -2.03654944 
+
+14
+-1434.0671233131493 9.838878 10.65841 -9.1461 -7.1852 -10.268 0.6101 -0.4695 0.419 9.80166 0.20788 4.3651503048 5.9857093178 0.207856842
+O      0.97497506     -0.00473021      0.51131803
+C      2.30913134     -0.01347643      0.03848046
+C      3.19020879      1.03621206      0.76120086
+N      4.12579507     -0.04692448      1.09753453
+C      3.26081504     -1.12683133      0.59377169
+C      5.22002434     -0.03875436      1.90037067
+O      5.72234537      0.97113415      2.38700662
+H      0.43716577     -0.57592697     -0.06334538
+H      2.35103055      0.06891513     -1.05907487
+H      2.69371783      1.46792294      1.64417794
+H      3.62182664      1.83851988      0.14736111
+H      3.73277097     -1.78729625     -0.14905524
+H      2.78548492     -1.72198548      1.39003732
+H      5.62928830     -1.06661865      2.05275627 
+
+14
+-1417.8984558504108 9.675835 10.3425 -9.0605 -6.9053 -10.48 0.6298 -1.264 -0.24 10.17089 0.86737 3.6704319496 7.5650553844 0.116354272
+O      0.86832838      0.02013354      0.25192792
+C      2.26291051     -0.07418893      0.05994223
+C      3.08298688      1.00981625      0.78267342
+N      3.95409342     -0.01676796      1.44020842
+C      3.08681288     -1.10855694      0.94254546
+C      3.74591690     -2.19432000      0.15521706
+O      4.91053619     -2.15950807     -0.21254780
+H      0.41653743     -0.50747134     -0.42864785
+H      2.52190265     -0.16256472     -1.00821045
+H      2.47403673      1.55124380      1.52358858
+H      3.59947908      1.73536029      0.13785070
+H      4.86549408     -0.09254586      0.97496715
+H      2.44451974     -1.54463093      1.72901793
+H      3.07931511     -3.05130913     -0.12306278 
+
+15
+-1463.056761727947 11.042155 11.32355 -8.2489 -6.3239 -9.024 0.8506 -0.271 0.689 8.38675 -0.13542 4.754429149 5.3144367152 0.324508285
+O      0.91585654      0.06792559      0.32707631
+C      2.27520114     -0.01682168     -0.06759438
+C      3.15198620      1.05686697      0.60902560
+N      4.13659623     -0.01692578      0.90991196
+C      3.16897099     -1.09268130      0.62123705
+N      4.92923045     -0.08843060      1.99984271
+C      5.29116862      1.00719679      2.57989125
+H      0.40442341     -0.57592484     -0.19216169
+H      2.37873437     -0.01926167     -1.16472493
+H      2.66668503      1.44906328      1.52222636
+H      3.52691974      1.88628794     -0.00702411
+H      3.56640309     -1.91519877      0.00862556
+H      2.68334256     -1.48609802      1.53003408
+H      5.97180534      0.91909773      3.42666627
+H      4.96795629      2.00743436      2.25845795 
+
+16
+-1612.047142052467 10.357041 11.25342 -8.2811 -6.1663 -9.656 0.8364 -0.1307 2.954 9.04626 -2.60404 7.7376314978 11.181801396 0.191330907
+O      1.10347449      0.14000345      0.26765635
+C      2.49835586     -0.03161106     -0.04565653
+C      2.71366553     -1.48250030     -0.51737654
+N      2.74679192     -1.43375302     -1.99761370
+C      3.18891766     -0.09632136     -2.38717941
+C      2.11526161      0.95568204     -2.42913691
+C      3.01042184      0.82931303     -1.20258565
+H      0.94288173      1.09567847      0.35645888
+H      3.10118073      0.16748671      0.85876925
+H      1.89301458     -2.11983905     -0.15608022
+H      3.66248680     -1.86026616     -0.09094952
+H      3.37659438     -2.14063589     -2.37448017
+H      4.05364093     -0.02003989     -3.05044644
+H      2.26743353      1.83405101     -3.05803853
+H      1.08719060      0.60248770     -2.33783719
+H      3.72295782      1.62588434     -0.98584367 
+
+14
+-1489.8813603395436 9.85533 10.62308 -8.5481 -6.4865 -10.151 1.0497 -0.6809 0.284 9.49987 0.44152 3.7812258392 11.5099551422 0.16161645
+O      1.58491870      0.17846463      1.03419670
+C      2.53854917      0.00177618      0.29337021
+C      2.92004940     -1.34599505     -0.36124698
+N      4.31648549     -1.24340446     -0.83049760
+C      4.65703682      0.17898759     -0.81936361
+C      3.79905420      1.07197612     -1.63675796
+C      3.56365800      0.99858838     -0.11759296
+H      2.22473538     -1.54134784     -1.19564853
+H      2.78879863     -2.16201877      0.36043744
+H      4.91929636     -1.71195440     -0.15142783
+H      5.71409705      0.41089574     -0.69207103
+H      4.23186162      2.00828501     -1.98745268
+H      3.05246641      0.63427184     -2.30199489
+H      3.72325278      1.88328504      0.49647972 
+
+16
+-1617.1666401763987 11.042224 11.66708 -8.9247 -6.856 -9.442 1.0746 -0.4164 1.205 8.8461 -0.56219 6.4272358624 6.4272358624 0.380359397
+O      0.95489907      0.14491281      0.65929549
+C      2.27271126     -0.01368583      0.09609495
+C      3.15977499      1.14457300      0.62656376
+N      4.39152769      0.55338211      1.19153216
+C      3.97138195     -0.78697010      1.65409610
+C      2.98660241     -1.25778128      0.60640501
+C      2.82591677     -2.49549598      0.12384134
+H      0.45130122     -0.66232466      0.45451675
+H      2.21214023     -0.01742635     -1.00780507
+H      2.59414413      1.64962482      1.42642882
+H      3.40710088      1.88971372     -0.13999862
+H      5.06278937      0.42044738      0.42902992
+H      4.83286429     -1.45396420      1.78827539
+H      3.47052293     -0.67714365      2.63292967
+H      2.14519341     -2.70325003     -0.70620976
+H      3.36365940     -3.34982178      0.54107408 
+
+16
+-1566.6589835446268 9.820648 10.74742 -8.8718 -6.7306 -10.353 0.7158 -0.3391 2.569 9.66963 -2.29092 8.0632559296 12.3574738438 0.096136466
+O      0.98711195      0.05744945     -0.01783586
+C      2.41018023     -0.00076347      0.01076948
+C      2.99843349      1.10982137      0.88761252
+N      4.36529334      0.67072929      1.21097438
+C      4.25215678     -0.79453107      1.40689237
+C      3.00176447     -1.29236329      0.62532787
+O      3.23775605     -2.33385586     -0.33116614
+H      0.67159832     -0.69001075     -0.55597316
+H      2.81999010      0.10231892     -1.01804576
+H      2.40300765      1.18938971      1.81410288
+H      3.00192330      2.09493648      0.40381935
+H      4.96819863      0.85664800      0.40536186
+H      5.16566469     -1.31273588      1.08211715
+H      4.12883375     -1.00268160      2.48247047
+H      2.25620515     -1.72142279      1.31232719
+H      3.90076210     -2.00848852     -0.96757458 
+
+14
+-1442.45617700257 9.309623 10.08067 -9.1554 -7.0537 -10.585 0.5755 -1.2516 -0.017 9.90714 0.7423 3.7106654066 12.1149696264 0.090695204
+O      1.01093253      0.01249693     -0.19803193
+C      2.41084621      0.04557701     -0.05592948
+C      2.99726983      1.13158088      0.86246541
+N      4.34512128      0.63590453      1.22566514
+C      4.21489729     -0.82508522      1.37418401
+C      2.96269851     -1.22174781      0.59728495
+O      2.39420770     -2.29900191      0.56721233
+H      0.75905018     -0.93346191     -0.12815325
+H      2.90925898      0.13204469     -1.04879482
+H      2.37294373      1.22158077      1.76728930
+H      3.06449753      2.12012125      0.39318218
+H      4.99112343      0.84187331      0.46082583
+H      5.10494777     -1.37127837      1.03225111
+H      4.05468504     -1.10185415      2.43195923 
+
+14
+-1497.6600071530372 10.700816 10.8763 -8.9405 -6.8536 -9.992 0.055 -1.6412 -0.61 9.21252 1.21874 3.4553534354 5.2440126672 0.350812599
+O      0.87188916     -0.05079076     -0.07383392
+C      2.09985986     -0.03619615     -0.05199237
+C      2.87938524      1.25457215      0.19603999
+N      4.20278858      1.18663048     -0.42403250
+C      5.00550286      0.07443424      0.06973205
+C      4.25373716     -1.21522719     -0.02980592
+C      2.91186848     -1.26217166     -0.15136734
+H      2.30644044      2.08562381     -0.23579041
+H      2.89929735      1.40126998      1.30186316
+H      4.70082606      2.06841588     -0.29822493
+H      5.33502905      0.18898125      1.13217122
+H      5.92825873      0.00527241     -0.52914022
+H      4.84103938     -2.13667270      0.01013571
+H      2.36774764     -2.20399174     -0.24530450 
+
+16
+-1620.0062430568712 11.045827 11.54748 -8.6733 -6.5169 -9.18 0.9238 -0.1983 1.383 8.67009 -0.75329 6.3268443982 6.3268443982 0.341766422
+O      0.88426994      0.06931966     -0.21054972
+C      2.29188636      0.00611410      0.09216955
+C      3.07915610      1.24808421     -0.35677898
+N      3.32642462      1.20016438     -1.79528879
+C      4.22008250      0.10023142     -2.14865290
+C      3.74500135     -1.18732631     -1.54180268
+C      2.84400178     -1.23526339     -0.55185600
+H      0.49273836      0.75131357      0.36297667
+H      2.42290051     -0.09114996      1.18998555
+H      2.49832425      2.15440521     -0.12539427
+H      4.01505019      1.28883909      0.24917277
+H      3.71429532      2.08625013     -2.11973565
+H      5.27807214      0.26811596     -1.83014436
+H      4.24068352     -0.00068380     -3.24660241
+H      4.16957005     -2.10934404     -1.94723350
+H      2.48864302     -2.19286024     -0.16459529 
+
+11
+-1259.98913704518 9.72309 9.37106 -9.3403 -7.408 -9.108 -0.0602 -1.6608 -0.577 8.70003 0.9704 3.7142857978 7.2766887456 0.495356595
+O      1.04236843     -0.08924120      0.14536645
+C      2.39767315     -0.00206993      0.03147337
+C      3.07996632      1.23081460     -0.02709521
+N      4.40804165      1.29087332     -0.13918360
+C      5.05764206      0.11358259     -0.19293747
+C      4.37185144     -1.09980033     -0.13364397
+N      3.03606968     -1.16953813     -0.02101256
+H      0.67123694      0.81145031      0.17478081
+H      2.53786597      2.18295088      0.01787699
+H      6.14557810      0.14623474     -0.28481334
+H      4.90902628     -2.05188684     -0.17802147 
+
+15
+-1525.4903463065762 10.165164 10.78302 -9.023 -6.9083 -10.44 0.7547 -0.2754 0.623 9.55793 0.04954 4.367592829 11.9773823622 0.204445597
+O      1.41629264      0.09126125      0.98352276
+C      2.41236673      0.04164167      0.26174840
+C      3.10567688     -1.28357049     -0.04834022
+N      3.95901776     -1.21858848     -1.23829898
+C      4.89555415     -0.10140614     -1.13646458
+C      4.09398688      1.19041936     -1.22709009
+N      3.00490509      1.16630176     -0.25066843
+H      2.31295146     -2.02966626     -0.19016630
+H      3.65667698     -1.55575890      0.87882134
+H      4.46226013     -2.10002375     -1.35104794
+H      5.47925946     -0.10555371     -0.18890712
+H      5.60609004     -0.14265934     -1.97410146
+H      4.74401504      2.05331025     -1.01492197
+H      3.69331446      1.29898354     -2.25018124
+H      2.48830229      2.02543924     -0.06949418 
+
+10
+-1180.6371049409902 9.249285 8.80278 -9.498 -7.5651 -9.435 -0.9571 -2.716 -1.759 9.05374 2.19366 3.2900429016 8.8199796834 0.323534738
+O      1.00155533      0.08299085      0.19941617
+C      2.19971686     -0.01978641      0.07838358
+O      2.97946294      1.17565627     -0.00483047
+C      4.32035160      1.09003724     -0.14026878
+C      4.96757287     -0.10158210     -0.20130972
+N      4.28900566     -1.29865870     -0.12759692
+C      2.99270581     -1.24719224      0.00387676
+H      4.80149221      2.06765882     -0.19302706
+H      6.05061759     -0.14212968     -0.31099925
+H      2.42734912     -2.18126405      0.06489569 
+
+14
+-1450.2435349304924 9.425538 10.12527 -9.4507 -7.2598 -10.73 0.7824 -0.4077 0.24 10.17369 0.39768 4.3236645892 13.0779936856 0.104077637
+O      1.33929220      0.11926412      0.77806802
+C      2.34456051      0.04911047      0.10333846
+C      3.08242850     -1.26918072     -0.10012083
+N      4.02734922     -1.25533728     -1.21621154
+C      4.88614514     -0.07908355     -1.11632091
+C      4.00775762      1.13379466     -1.33794012
+O      2.87775413      1.19096267     -0.41980136
+H      2.31476471     -2.03851963     -0.25493493
+H      3.55938021     -1.47511190      0.88368384
+H      4.57911029     -2.11452633     -1.21377703
+H      5.40949072      0.00705214     -0.13829290
+H      5.64919119     -0.10813189     -1.90792103
+H      4.55629210      2.07096734     -1.17322710
+H      3.59878346      1.12331990     -2.35987258 
+
+11
+-1258.7042667335772 9.598986 9.354 -9.3959 -7.4598 -9.36 0.0858 -1.505 -0.291 9.67083 0.91858 4.055768039 6.7362585688 0.350668103
+O      0.96456324      0.04731909     -0.00238087
+C      2.32946048      0.00341565     -0.00001585
+C      3.04499167      1.20928247      0.00291254
+N      4.38240459      1.23430989      0.00534126
+C      5.00384203      0.04374061      0.00484135
+N      4.42270114     -1.16494528      0.00209788
+C      3.08314658     -1.17570262     -0.00031229
+H      0.61346141     -0.86237762     -0.00421635
+H      2.51170800      2.16465604      0.00327399
+H      6.09675869      0.06157235      0.00680098
+H      2.58998216     -2.15646057     -0.00256265 
+
+13
+-1380.18747472503 9.71037 10.0311 -8.9284 -6.9084 -9.854 0.8499 -0.9882 0.188 9.62891 0.50045 3.7123640148 12.050385319 0.172186544
+O      0.89369174      0.00059971     -0.26714910
+C      2.09960256     -0.00622336     -0.08468560
+C      2.87253679      1.30934325     -0.00707730
+N      4.28617302      1.11271191      0.30236383
+C      4.89900013     -0.06300190     -0.09488758
+N      4.33524806     -1.20405645     -0.26904443
+C      2.91403771     -1.28018233      0.05505544
+H      2.39029495      1.94261159      0.75267756
+H      2.72731205      1.80374869     -0.98514595
+H      4.86667835      1.94670650      0.26115888
+H      5.98456309      0.01505038     -0.23296801
+H      2.42526056     -2.06889273     -0.53553782
+H      2.80886099     -1.58927527      1.11465007 
+
+15
+-1508.8644773963556 10.236637 10.71402 -8.5613 -6.5405 -9.364 0.7052 -0.2793 0.938 8.69127 -0.33717 4.804271521 8.1990825926 0.223166584
+O      1.12465627     -0.03478919      0.64971862
+C      2.45057500      0.05110469      0.11256504
+C      2.60329652      1.27783070     -0.79811144
+N      3.90960442      1.20109782     -1.44223611
+C      4.36896836     -0.03648731     -1.85652029
+N      3.89512162     -1.19081660     -1.55052874
+C      2.70825557     -1.22489126     -0.69211752
+H      1.04242191      0.61529252      1.36850970
+H      3.19793282      0.12152422      0.92456668
+H      2.54000197      2.20604672     -0.20883207
+H      1.77315329      1.27738674     -1.52811465
+H      4.23860364      2.01115423     -1.95864677
+H      5.26310312      0.01318354     -2.49157426
+H      1.81735385     -1.43170036     -1.31176129
+H      2.80203165     -2.07665647     -0.00059688 
+
+15
+-1517.0639201654894 10.417443 11.04524 -8.4978 -6.6011 -9.592 0.7612 -0.2899 1.067 8.78295 -0.43331 4.9449460366 8.628123747 0.213567048
+O      0.97491464      0.07432889      0.02475804
+C      2.39755267     -0.05767330      0.00838888
+C      3.00912665      1.10864787      0.80453518
+N      4.28098373      0.54852762      1.23245871
+C      4.26254867     -0.82878126      1.35771765
+N      5.21015252     -1.48427596      1.92799688
+C      2.95480035     -1.30180928      0.72603604
+H      0.60585440     -0.52722238     -0.64344448
+H      2.77640380     -0.02243983     -1.02878206
+H      2.33435576      1.35696641      1.64552078
+H      3.14559243      2.00834302      0.18847603
+H      4.94359384      1.07536855      1.79494960
+H      5.02114150     -2.49107369      1.88186171
+H      3.10729240     -2.16814922      0.06858302
+H      2.25737663     -1.59293743      1.52808401 
+
+12
+-1337.5612387238004 8.942981 9.56356 -9.5915 -7.5389 -11.082 0.4675 -1.421 -0.376 10.26876 1.10502 3.6938281078 6.3723348616 0.143361474
+O      1.19223374     -0.02319159      0.67915612
+C      2.31502655     -0.02351188      0.21968380
+C      3.13847058      1.24672025     -0.05817582
+N      4.38082617      0.72475771     -0.59497314
+C      4.47299542     -0.64703406     -0.69684809
+O      5.43749408     -1.26526034     -1.12333602
+C      3.15506173     -1.22393356     -0.18005587
+H      3.27066390      1.81021583      0.88058271
+H      2.59183846      1.88997485     -0.76777311
+H      5.16116234      1.30621804     -0.88916728
+H      2.65355374     -1.82112837     -0.95522106
+H      3.32539329     -1.89318688      0.67565775 
+
+14
+-1465.00283088773 9.454857 10.24445 -9.2888 -7.2664 -10.637 0.7468 -0.3121 0.508 9.74321 0.16365 4.37918552 6.3641517856 0.144690926
+O      0.96894191      0.06177832      0.07622126
+C      2.39183029     -0.04924664      0.00876037
+C      2.99949741      1.12463816      0.80578159
+N      4.26359238      0.56923597      1.26799101
+C      4.31387502     -0.80668529      1.28951444
+O      5.23057322     -1.48641278      1.73083743
+C      2.99841498     -1.29614520      0.66885622
+H      0.58551109     -0.56943417     -0.55590294
+H      2.73250650      0.01799618     -1.04025610
+H      2.32165087      1.38289825      1.63842449
+H      3.14747476      2.01743481      0.18274191
+H      4.97202708      1.11107114      1.75539347
+H      3.17944523     -2.13839373     -0.00996290
+H      2.34679925     -1.64391501      1.48662975 
+
+12
+-1314.1353167683599 9.55691 9.82531 -7.6693 -5.7669 -8.166 0.8904 -0.2016 0.707 7.6602 -0.19295 4.6975691694 5.9892553174 0.372218707
+O      0.91472303     -0.08100539     -0.00894909
+C      2.29210753      0.01919459     -0.00157537
+C      3.12771525      1.12577908      0.00515978
+N      4.42320550      0.64302615      0.01088995
+C      4.42696017     -0.73907781      0.00793753
+C      3.10364529     -1.14818944      0.00014033
+O      2.65759749     -2.44712487     -0.00501128
+H      0.52915975      0.81038164     -0.00897032
+H      2.91017534      2.18791123      0.00631603
+H      5.25268979      1.22082793      0.01643264
+H      5.34315550     -1.31668788      0.01144131
+H      1.68371534     -2.41373524     -0.01001149 
+
+12
+-1316.6019865884055 9.553067 9.93234 -7.3164 -5.3559 -7.972 0.7851 -0.2173 0.819 7.54474 -0.25216 4.5965453766 6.0846625444 0.392404838
+O      0.95539156     -0.10037387     -0.00661607
+C      2.31561956      0.05448860      0.00005659
+C      3.14156946      1.16836207      0.00492289
+C      4.48092245      0.65930946      0.01099252
+O      5.65037912      1.38645739      0.01722323
+C      4.43702546     -0.71896218      0.00968349
+N      3.08247813     -1.07102517      0.00286365
+H      0.55308850      0.78461383     -0.00784688
+H      2.82805367      2.20855106      0.00423784
+H      5.41888074      2.33003732      0.01689719
+H      5.22409571     -1.46152110      0.01291319
+H      2.71180565     -2.01350742      0.00034237 
+
+11
+-1208.4258901432916 9.216533 9.26437 -9.5818 -7.6115 -10.868 -0.712 -2.527 -1.395 9.91145 1.73721 3.3053551726 5.4992626454 0.238055199
+O      0.92545111      0.01823683      0.43034595
+C      2.10420515      0.07715684      0.11596692
+C      3.01109741      1.26670939      0.13401006
+N      4.21228474      1.00954419     -0.26916324
+N      4.25578833     -0.31678124     -0.81845276
+C      4.30725788     -1.29220536      0.27083129
+C      2.99519339     -0.99803901     -0.42905492
+H      2.74941633      2.24831987      0.53044175
+H      4.79565426     -2.24079410      0.04085433
+H      4.45659178     -0.89623167      1.27788735
+H      2.58226962     -1.74427575     -1.10745675 
+
+13
+-1332.622139772303 9.473576 9.87847 -9.2807 -7.2269 -10.143 0.7497 -0.8997 0.574 9.73445 0.03878 4.9429622606 6.3276627058 0.127157059
+O      0.94896460     -0.15057592      0.33250839
+C      2.31266105      0.04653089     -0.08021772
+C      2.86567911      1.23446975      0.68715359
+N      3.91136773      1.00867460      1.39532473
+N      4.38584838     -0.33130434      1.13822309
+C      3.48084583     -1.30654536      1.78830319
+C      3.32006020     -1.01487892      0.33131088
+H      0.52423897     -0.74053658     -0.31368817
+H      2.34990008      0.21670343     -1.17218295
+H      2.37349461      2.20922321      0.71708632
+H      3.95436090     -2.24185763      2.09198240
+H      2.73185356     -0.89895420      2.47057048
+H      3.68601499     -1.72871893     -0.40738421 
+
+13
+-1363.3674181747504 9.776987 10.04185 -8.8519 -6.8328 -9.696 0.8294 -0.9935 0.1 9.81265 0.61262 3.7739230638 12.1318937154 0.141696647
+O      0.85251646      0.00096899     -0.32886773
+C      2.04536993     -0.01161880     -0.08614764
+C      2.88679435      1.25614020     -0.05147748
+N      4.22857917      1.02429880      0.49493906
+N      4.95353807     -0.02057699     -0.06742770
+C      4.28550097     -1.10836558     -0.25943866
+C      2.85093862     -1.27711638      0.15766731
+H      2.37080257      2.02426549      0.54033483
+H      2.92423583      1.60622862     -1.10330773
+H      4.80295911      1.86469956      0.44637583
+H      4.83781571     -1.95015878     -0.68237720
+H      2.35057368     -2.14146386     -0.29614566
+H      2.83259553     -1.42201127      1.25783276 
+
+15
+-1492.1009836585788 10.336317 10.71299 -8.3398 -6.3694 -9.112 0.8649 -0.2111 0.735 8.59359 -0.13061 4.785177677 5.4993246384 0.181536434
+O      1.05263728     -0.01758285      0.61343158
+C      2.41144760      0.04232631      0.16099487
+C      2.65699790      1.22288630     -0.78427819
+N      4.04659659      1.15887690     -1.23927429
+N      4.46158048      0.00073474     -1.86265726
+C      3.84766299     -1.09525267     -1.56432056
+C      2.70074024     -1.25144804     -0.59494496
+H      0.90760840      0.71739085      1.23435921
+H      3.10352949      0.13448965      1.01771802
+H      2.50452001      2.18242323     -0.26687859
+H      1.93652402      1.15546776     -1.62382414
+H      4.34602995      1.95851275     -1.79274049
+H      4.23824828     -1.99254625     -2.05230423
+H      1.78640039     -1.54970012     -1.13777961
+H      2.91543637     -2.07011857      0.11085864 
+
+14
+-1454.84572606627 9.444681 10.14065 -9.2445 -7.1961 -10.696 0.7727 -0.2398 0.453 9.74748 0.21456 4.3724406816 11.0764628904 0.157556288
+O      1.45382046      0.07628747      1.01795010
+C      2.42370721      0.05500723      0.26151305
+C      3.11025404     -1.26312206     -0.09778936
+O      3.99238218     -1.21963051     -1.22150010
+C      4.86755443     -0.09898019     -1.12232205
+C      4.07744214      1.19605142     -1.23952005
+N      2.99035398      1.18599398     -0.26184807
+H      2.32788273     -1.99717221     -0.32756989
+H      3.64552681     -1.60780429      0.80947954
+H      5.42219378     -0.12487577     -0.16321309
+H      5.58693641     -0.18445888     -1.94777911
+H      4.73824489      2.05435604     -1.04031256
+H      3.68138348      1.29678709     -2.26514197
+H      2.48687747      2.04859066     -0.06183644 
+
+12
+-1317.14092740425 9.398887 9.55438 -8.3928 -6.3493 -9.126 1.1792 -0.5741 0.064 8.75151 0.55765 4.3136341218 4.84413302 0.14232828
+O      0.88309300     -0.05747098      0.26133999
+C      2.10076750     -0.07403447      0.11338519
+C      2.92739219      1.20124460     -0.05975543
+O      4.28249586      1.11763332      0.43023597
+C      4.91991431     -0.05154847      0.09553245
+C      4.25062324     -1.19731020     -0.11297821
+N      2.84870311     -1.22245359      0.02345088
+H      2.44056606      2.00993577      0.49544441
+H      2.93872246      1.46035086     -1.13622282
+H      6.00387952      0.03266422      0.06206413
+H      4.74632998     -2.12596755     -0.37979173
+H      2.34528278     -2.10521351      0.07190518 
+
+12
+-1275.8656247467134 9.023877 9.38697 -9.6384 -7.6074 -10.938 0.5916 -1.296 -0.208 10.05904 0.83226 3.7645125264 6.6227369872 0.16257159
+O      0.85509827      0.02299510     -0.33739995
+C      2.04185470     -0.01682015     -0.07526526
+C      2.91930405      1.21837966      0.01854740
+O      4.19343038      1.00079500      0.64075340
+N      4.95667862     -0.05060483      0.03543014
+C      4.27133823     -1.11262805     -0.20171590
+C      2.82607483     -1.30217577      0.14789279
+H      2.42377060      1.99977488      0.60964919
+H      3.06379822      1.59798904     -1.01148439
+H      4.84221912     -1.92243995     -0.66502669
+H      2.35339672     -2.14037290     -0.37779828
+H      2.76046626     -1.51022202      1.23304756 
+
+14
+-1406.370782058657 9.567014 10.05078 -9.3174 -7.2698 -10.579 1.0303 -0.3282 0.372 10.1068 0.23357 5.172943892 6.5069464618 0.213129569
+O      1.04472735      0.01254227      0.58860768
+C      2.41500504      0.03174699      0.16987605
+C      2.70684022      1.19560566     -0.77300645
+O      4.08240762      1.18993579     -1.21433480
+N      4.54080295     -0.01966128     -1.77105450
+C      3.87479554     -1.08918415     -1.50719450
+C      2.68322122     -1.24987153     -0.60303591
+H      0.90910522      0.74184261      1.21837637
+H      3.09262203      0.09683142      1.04037255
+H      2.57966375      2.17240107     -0.28484661
+H      2.03628250      1.13713673     -1.64955918
+H      4.29505442     -1.97926965     -1.98567107
+H      1.78719669     -1.49845114     -1.19745802
+H      2.85229545     -2.10094479      0.07446839 
+
+14
+-1497.2939691813558 9.799691 10.62186 -9.1368 -7.1464 -10.43 0.802 -0.1202 0.553 9.66475 0.13098 4.2871135164 12.143250833 0.15741672
+O      1.11703528     -0.10275141      0.01271055
+C      2.32983676     -0.01578200      0.09047175
+N      3.26423386     -1.04842373      0.26540726
+C      4.55962989     -0.34979327      0.03995257
+C      4.24145522      0.63215630     -1.12835351
+C      3.25577533      1.20751601     -0.04437083
+C      4.37369712      0.85916211      0.99254337
+H      3.07385213     -1.94845822     -0.17123872
+H      5.42949364     -1.01499813      0.06839686
+H      3.80848117      0.21155145     -2.04711003
+H      5.06220961      1.32520177     -1.35938686
+H      2.76503444      2.18209317     -0.11848158
+H      5.21053945      1.56849739      0.95278478
+H      4.07426609      0.64184854      2.02626439 
+
+13
+-1390.8859827595527 9.289815 9.98839 -9.0437 -6.9941 -10.252 0.8164 -0.1151 0.684 9.81339 -0.08473 4.743332402 6.4874930584 0.151915457
+O      1.72547937      0.03579725      1.36264274
+C      2.39421944      0.01023752      0.33980082
+N      2.82675892     -1.12861034     -0.35382342
+C      3.86307213     -0.79586972     -1.29430645
+C      5.09576003     -0.05841962     -0.79527744
+C      3.89417863      0.71740509     -1.31176625
+N      2.87288876      1.11403906     -0.37967369
+H      2.84939138     -1.99413375      0.17767608
+H      3.90142924     -1.37883643     -2.21475240
+H      5.29158420     -0.05001371      0.27785872
+H      5.97536538     -0.08393240     -1.43924722
+H      3.95597570      1.27689299     -2.24541265
+H      2.93120682      1.98995405      0.13168117 
+
+12
+-1318.8201177737524 8.595225 9.39023 -9.6647 -7.5689 -10.624 0.7511 -0.1911 0.378 10.33937 0.19238 4.8418640762 12.7568947428 0.142226111
+O      1.60987446      0.14938628      1.17388070
+C      2.36453017      0.03467463      0.23670264
+N      2.86698739     -1.12902814     -0.33129469
+C      3.89423933     -0.85722821     -1.29300703
+C      5.08409904     -0.02625316     -0.83045272
+C      3.85792880      0.64660084     -1.39138531
+O      2.88325483      1.12031257     -0.46904220
+H      2.85328831     -1.96821249      0.24055191
+H      3.95238233     -1.50945421     -2.16435602
+H      5.27075630      0.05515764      0.24110976
+H      5.96781086     -0.03016989     -1.46894969
+H      3.86882818      1.20660414     -2.32458734 
+
+12
+-1336.54840220909 10.358983 11.07622 -9.4756 -7.392 -9.931 0.7598 -0.2555 0.487 9.67425 0.23091 4.3463664258 10.917711216 0.346927286
+O      1.18370387      0.06535458      0.58433280
+C      2.32462499      0.00198163      0.18860739
+N      3.23745297      0.93677461     -0.24018616
+C      4.31965219     -0.00642697     -0.55390480
+C      3.38985084     -1.15037175     -0.02664436
+C      3.04300944     -2.21399228     -0.93780198
+C      2.74420021     -3.09922501     -1.71300401
+H      3.15635494      1.94605487     -0.35185254
+H      4.55025537     -0.08485947     -1.62485171
+H      5.23703339      0.14762172      0.03160815
+H      3.71952999     -1.54549962      0.94624312
+H      2.47269181     -3.88016231     -2.39334590 
+
+11
+-1245.6384240828443 9.208696 9.91756 -10.2115 -8.2031 -11.038 0.5913 -0.5804 0.052 10.15883 0.61262 4.3883852812 11.7383001584 0.271937893
+O      1.19363508      0.07743292      0.62558588
+C      2.31883653      0.01261020      0.19538518
+N      3.24123193      0.93638417     -0.23061743
+C      4.30448636     -0.01601304     -0.58075889
+C      3.36116181     -1.15486938     -0.07728973
+C      2.97714600     -2.16431359     -1.03852828
+N      2.66932663     -2.96761882     -1.82743978
+H      3.18652305      1.95179769     -0.29196201
+H      4.52989258     -0.06257101     -1.65448310
+H      5.22605656      0.09907950      0.00572567
+H      3.68917346     -1.61925864      0.86282249 
+
+14
+-1512.6025493335676 9.874511 10.68379 -9.1363 -7.1352 -10.461 0.8042 -0.1095 0.626 9.51844 0.04423 4.395613665 11.4829509914 0.270896641
+O      1.42239664      0.17618221      0.85845120
+C      2.42320161     -0.02418330      0.17999420
+N      2.70886672     -1.18182191     -0.51963516
+C      4.06446253     -1.26979749     -1.04817168
+C      4.59501404      0.15266161     -0.88629409
+C      3.80697157      1.25397702     -1.53492685
+C      3.57071294      0.92215045     -0.07249426
+H      2.07303518     -1.97220985     -0.47664624
+H      4.67749357     -1.97951750     -0.46560003
+H      4.06700722     -1.59686848     -2.10141944
+H      5.66367624      0.28671120     -0.72492921
+H      4.33405661      2.18552611     -1.74171584
+H      3.02312507      0.99598790     -2.25007989
+H      3.81634004      1.64338203      0.70427729 
+
+13
+-1379.7070389528265 9.298669 9.96208 -9.6457 -7.5732 -10.633 0.7217 -0.1901 0.697 9.78221 -0.07865 4.6689779978 12.3649130038 0.127470045
+O      1.65715867      0.34751941      0.87323564
+C      2.61581709      0.00568553      0.20783877
+N      2.76680339     -1.18179634     -0.47887687
+C      4.05465105     -1.35057746     -1.12588416
+C      4.66245675      0.03693100     -0.93863540
+C      3.91353504      1.21900226     -1.42872685
+N      3.81367355      0.81166413      0.00285804
+H      2.06051299     -1.90697628     -0.41099185
+H      4.67454428     -2.10911478     -0.61856019
+H      3.95472964     -1.63710978     -2.18588944
+H      5.73895333      0.10538621     -0.77426224
+H      4.43765244      2.16249197     -1.58971948
+H      3.03564177      1.05128412     -2.05874598 
+
+13
+-1379.0359557254342 9.41773 10.03342 -9.1009 -7.058 -10.606 0.7895 -0.2658 0.519 9.62006 0.14635 4.3545990962 12.3119709818 0.210978107
+O      1.41799702      0.16027303      0.89852683
+C      2.42076334     -0.06186607      0.23126371
+N      2.76524412     -1.25765428     -0.36074877
+C      4.05721252     -1.28509210     -1.03994784
+C      4.54651961      0.15135012     -0.90200416
+N      3.65096443      1.11334316     -1.57635436
+C      3.54225253      0.90161935     -0.10140240
+H      2.09465312     -2.01884261     -0.40461399
+H      4.75344324     -1.98399473     -0.54624971
+H      3.95483644     -1.57151717     -2.09922130
+H      5.61586753      0.35135154     -0.83051885
+H      4.16418770      1.98918147     -1.72993204
+H      3.77804840      1.70571829      0.59417289 
+
+12
+-1310.5857808900064 8.717144 9.37799 -9.4496 -7.4102 -10.834 1.4754 -0.2981 0.241 9.85217 0.39588 4.2973175642 11.505342863 0.213444234
+O      1.41949692      0.13094453      0.93221146
+C      2.40230286     -0.08627036      0.23604418
+N      2.77946905     -1.29529751     -0.30807771
+C      4.04320854     -1.29478200     -1.03654634
+C      4.45698619      0.16857740     -0.99859996
+O      3.51860949      1.04177101     -1.64661779
+C      3.46425533      0.91010551     -0.20171392
+H      2.14277396     -2.08665105     -0.29304598
+H      4.80093933     -1.92011240     -0.53471458
+H      3.92315499     -1.64832976     -2.07323966
+H      5.50970047      0.45059985     -1.06732339
+H      3.65596289      1.81021475      0.38371370 
+
+10
+-1190.280781295924 9.018996 8.95943 -9.397 -7.3875 -10.039 -1.1148 -2.9913 -1.987 9.83271 2.40202 2.6892067456 6.9582555018 0.317272743
+O      1.16505021     -0.11769269      0.49199604
+C      2.31913097     -0.05049665      0.13037567
+N      3.17013596     -1.11891908     -0.16868721
+C      4.42458093     -0.64860561     -0.55030792
+C      4.51589828      0.70919803     -0.53963984
+C      3.22304183      1.23484187     -0.11713912
+O      2.82783766      2.37706812      0.04051842
+H      2.89890090     -2.09568140     -0.11143611
+H      5.19721417     -1.36851716     -0.81457684
+H      5.39047909      1.29637456     -0.79818310 
+
+14
+-1517.7507414950517 10.523057 10.85448 -9.1381 -7.2223 -10.037 0.4934 -1.2116 -0.397 9.31995 0.92079 4.0343308596 11.8391007764 0.305845371
+O      0.89995406      0.00118870      0.29652785
+C      2.12350176      0.02533808      0.13674404
+N      2.86872094      1.17828346      0.29768971
+C      4.22679885      1.29300399     -0.23581914
+C      5.03958620      0.05290248      0.13513263
+C      4.25872763     -1.19822321     -0.15462610
+C      2.91477843     -1.19376873     -0.17718972
+H      2.30397163      2.02260430      0.37049031
+H      4.69027990      2.19825427      0.18028677
+H      4.20926985      1.40044175     -1.33779924
+H      5.30340259      0.07213444      1.20888019
+H      5.99000553      0.05615692     -0.41941681
+H      4.80979780     -2.12992740     -0.31054175
+H      2.32662482     -2.09321905     -0.36064876 
+
+11
+-1269.2741913925677 9.806045 9.44173 -8.942 -7.1481 -9.447 -0.333 -1.9774 -1.042 8.87799 1.71679 3.8803030518 6.909553801 0.435967215
+O      1.01150302      0.05320178      0.23029255
+C      2.22387799     -0.01149983      0.08833885
+N      2.97246574      1.20692251     -0.03520973
+C      4.31582904      1.26336598     -0.19675565
+C      5.02651254      0.09250906     -0.24820953
+C      4.27284361     -1.10803189     -0.12435054
+N      2.96851637     -1.18563871      0.03310111
+H      2.41208168      2.05741874      0.00715644
+H      4.76407355      2.25418421     -0.27831572
+H      6.10562978      0.08631133     -0.37662753
+H      4.80435668     -2.06759317     -0.16028026 
+
+15
+-1540.8754390477852 10.05691 10.75681 -9.0596 -7.0797 -10.452 0.736 -0.2496 0.779 9.66909 -0.16847 4.81499631 11.4189370196 0.177416895
+O      1.46476617      0.05417566      1.03959153
+C      2.45420384      0.01865448      0.30373801
+N      3.04009765     -1.17482401     -0.09017396
+C      4.00394215     -1.28917520     -1.18184248
+C      4.91611118     -0.06551461     -1.17690261
+C      4.07105120      1.20496968     -1.21199148
+N      3.10309728      1.16904645     -0.11856839
+H      2.46197681     -1.97903307      0.13567446
+H      4.59301165     -2.20710412     -1.03607115
+H      3.49884007     -1.37399360     -2.16407618
+H      5.53386275     -0.07111481     -0.26589529
+H      5.58651950     -0.09405124     -2.04735983
+H      4.70874752      2.09312436     -1.08799895
+H      3.57066613      1.29312969     -2.19634011
+H      2.56923612      2.00841034      0.08743645 
+
+13
+-1402.6621615641461 9.99669 10.20404 -8.4427 -6.4011 -8.94 0.7806 -0.2049 0.412 8.48835 0.11008 4.7859711874 11.8800409536 0.287340609
+O      0.88917555     -0.03569899      0.00865039
+C      2.11873098     -0.01667671     -0.00414499
+N      2.86996939      1.12060339      0.18812877
+C      4.30598894      1.25363321     -0.08728401
+C      4.98125019     -0.07952786      0.06524761
+C      4.25918399     -1.20911640      0.00675147
+N      2.87460752     -1.18259103     -0.17249473
+H      2.30448200      1.96411889      0.21427084
+H      4.72745234      1.98368565      0.62329329
+H      4.47943435      1.66458967     -1.10414387
+H      6.06007032     -0.11786898      0.19619964
+H      4.70378831     -2.20064044      0.08770204
+H      2.32991612     -2.03802042     -0.13827645 
+
+11
+-1269.2741913925677 9.806045 9.44173 -8.942 -7.1481 -9.447 -0.333 -1.9774 -1.042 8.87799 1.71679 3.8803030518 6.909553801 0.435967215
+O      1.01150302      0.05320178      0.23029255
+C      2.22387799     -0.01149983      0.08833885
+N      2.97246574      1.20692251     -0.03520973
+C      4.31582904      1.26336598     -0.19675565
+C      5.02651254      0.09250906     -0.24820953
+C      4.27284361     -1.10803189     -0.12435054
+N      2.96851637     -1.18563871      0.03310111
+H      2.41208168      2.05741874      0.00715644
+H      4.76407355      2.25418421     -0.27831572
+H      6.10562978      0.08631133     -0.37662753
+H      4.80435668     -2.06759317     -0.16028026 
+
+10
+-1186.7847039830604 9.103384 8.82821 -9.6815 -7.8093 -9.995 -0.8818 -2.5839 -1.516 9.46159 2.19076 3.789694083 7.1147754282 0.454177459
+O      0.98688548      0.04417412     -0.27036732
+C      2.16149435     -0.10999713     -0.07735913
+O      2.95592457      1.15655935     -0.02419479
+C      4.26667489      1.10505706      0.18512319
+C      4.93441576     -0.07201734      0.35684937
+C      4.14784324     -1.25365492      0.29972498
+N      2.84951584     -1.28557652      0.09718644
+H      4.73450196      2.09308328      0.20270611
+H      6.00769068     -0.09427511      0.52712605
+H      4.63186323     -2.22891279      0.43086511 
+
+14
+-1467.443155684821 9.354673 10.11883 -9.4682 -7.4737 -10.74 0.661 -0.3221 0.493 10.14019 0.08316 4.864404731 6.389432531 0.152139273
+O      1.47643874      0.10811160      0.98759060
+C      2.40435851      0.05490854      0.19925813
+N      2.89288606     -1.12475453     -0.31291790
+C      4.04920838     -1.30805613     -1.18647170
+C      4.89840976     -0.04434821     -1.15369726
+C      3.97774369      1.15419806     -1.29105144
+O      3.02627418      1.21431515     -0.20105347
+H      2.38073599     -1.93788970      0.01378529
+H      4.62700807     -2.17941846     -0.84208462
+H      3.72201509     -1.51460150     -2.22219509
+H      5.44999429      0.02627526     -0.20376634
+H      5.63022416     -0.05668725     -1.97387817
+H      4.52265607      2.10562436     -1.24233946
+H      3.42319701      1.11880282     -2.24533855 
+
+12
+-1327.085243306416 9.348053 9.58236 -8.8208 -6.7199 -9.163 1.2764 -0.4502 0.124 8.72614 0.39107 4.8125661844 11.2215761048 0.171220446
+O      0.91822695     -0.01693935      0.00386170
+C      2.13375339     -0.02371617     -0.00204725
+N      2.87821427     -1.19337876      0.01202686
+C      4.27404939     -1.22818247      0.00630930
+C      4.98368546     -0.09420082     -0.01544586
+C      4.29084909      1.22775247     -0.03453766
+O      2.83002857      1.14709860     -0.02233987
+H      2.32845252     -2.04531539      0.02773340
+H      4.72107694     -2.22089598      0.02058259
+H      6.07156684     -0.11160477     -0.02026274
+H      4.56389882      1.84111485      0.84122248
+H      4.55150777      1.80908780     -0.93563295 
+
+11
+-1230.6360287097148 8.944416 9.25735 -9.8884 -7.8782 -10.557 -0.3026 -2.0908 -0.747 9.64369 1.27028 3.7603465968 5.988709779 0.265664007
+O      0.99617490      0.01678958      0.53168252
+C      2.16694975      0.12685712      0.24116049
+N      2.96771837      1.31765581      0.43218157
+C      4.12044633      1.04784720     -0.07963530
+N      4.31258691     -0.20256586     -0.74755650
+C      4.32167247     -1.30463619      0.25218467
+C      3.05227292     -0.90036874     -0.43785748
+H      4.97364892      1.72941147     -0.03390338
+H      4.82071751     -2.21943593     -0.07168542
+H      4.44939975     -1.02781635      1.30157198
+H      2.62593217     -1.54949812     -1.20234315 
+
+10
+-1208.0705057942623 8.996406 8.99804 -10.1544 -8.1666 -11.317 -1.1105 -3.0004 -2.091 10.82774 2.29166 3.554616627 5.6965615672 0.536215173
+O      1.11490773     -0.10100752     -0.41589704
+C      2.29041394     -0.02356544     -0.10560070
+N      3.15385896     -1.09719048      0.15165146
+C      4.44202595     -0.65517404      0.48271286
+O      5.39862719     -1.35846919      0.75546615
+C      4.37188422      0.84494849      0.42501630
+C      3.12692454      1.21042922      0.08468487
+H      2.87985761     -2.07462160      0.10439948
+H      5.23964356      1.46396092      0.63973830
+H      2.71170630      2.20609965     -0.05139167 
+
+13
+-1361.1706156696375 9.412258 9.99315 -8.7095 -6.6906 -10.172 0.7758 -0.1977 0.462 9.66522 0.18626 4.3397827692 11.74395392 0.212828943
+O      1.35001438      0.13268771      0.64633984
+C      2.45697250     -0.06430374      0.16006548
+N      2.89964070     -1.29176713     -0.33194246
+N      4.19678170     -1.26721698     -0.94824711
+C      4.63144736      0.13002426     -0.81958772
+C      3.83474434      1.15607174     -1.55147647
+C      3.57251777      0.91537079     -0.06567025
+H      2.22193484     -1.92550844     -0.75184500
+H      4.80258949     -1.82505731     -0.33416756
+H      5.70087893      0.26305370     -0.66306717
+H      4.34383655      2.08563825     -1.80382881
+H      3.07934497      0.82835263     -2.26797877
+H      3.74723646      1.69927452      0.66938599 
+
+13
+-1368.7445946310627 10.035584 10.17451 -9.0048 -7.0138 -10.144 0.3351 -1.3858 -0.46 9.43624 0.96442 4.0707827436 5.6988801054 0.247693341
+O      0.94160012      0.05898942     -0.33811366
+C      2.14902359      0.05831078     -0.08868820
+N      2.91193263      1.20802316     -0.13436181
+N      4.25042578      1.28287675      0.33632594
+C      5.00409787      0.12170018     -0.15461801
+C      4.27484482     -1.17375661      0.09080333
+C      2.93282040     -1.17726974      0.17888566
+H      2.44556076      2.09394284     -0.31782978
+H      4.22055630      1.21803595      1.36425282
+H      5.98172726      0.13092456      0.34988646
+H      5.19817899      0.25424017     -1.23502235
+H      4.85091453     -2.10010971      0.17362867
+H      2.34790697     -2.08163776      0.34615092 
+
+12
+-1274.1821690674399 8.766743 9.42438 -8.9257 -6.9286 -10.816 1.264 -0.4471 0.132 9.95776 0.50616 4.2268191246 12.7435414506 0.206474384
+O      1.32758740      0.07383806      0.67268939
+C      2.39856483     -0.02543895      0.09083957
+N      2.84128255     -1.18855416     -0.55333663
+O      4.26936879     -1.18275038     -0.73450425
+C      4.63101104      0.19563490     -0.66500998
+C      3.93608329      1.15918322     -1.56807358
+C      3.47034696      0.99803692     -0.11812914
+H      2.56517438     -2.08825189     -0.15863277
+H      5.67301217      0.31150365     -0.36936086
+H      4.47112181      2.08017972     -1.79764659
+H      3.28891799      0.77544624     -2.35687988
+H      3.54262879      1.81278267      0.59895471 
+
+12
+-1281.4142810836843 9.490689 9.63221 -9.1525 -7.18 -10.349 0.0605 -1.7014 -0.754 9.67837 1.27414 3.9145727822 5.3970361884 0.328047772
+O      0.92045988      0.06527538     -0.27082762
+C      2.13645280      0.01424636     -0.09628542
+N      2.92980286      1.15984037     -0.21944330
+O      4.18146284      1.15562081      0.49767468
+C      4.97628133      0.09482620     -0.04054806
+C      4.25244217     -1.21473760      0.07250764
+C      2.90909934     -1.23479068      0.09335032
+H      2.45176657      2.03681297     -0.00605937
+H      5.89473595      0.10430622      0.56333532
+H      5.24596334      0.30563890     -1.09622873
+H      4.83955417     -2.13532917      0.12334559
+H      2.32538876     -2.15033976      0.18387895 
+
+12
+-1307.0028542504247 8.555255 9.3423 -10.3461 -8.1899 -11.333 0.9375 -0.2052 0.29 10.38853 0.29187 4.6499461468 13.1502279292 0.179899705
+O      1.47049320      0.33693502      0.56064304
+C      2.47417312      0.01152090     -0.01446914
+O      2.56589513     -1.15195087     -0.75979401
+C      3.90359596     -1.31245202     -1.27778846
+C      4.60573482     -0.00753080     -0.94729417
+C      3.98463672      1.25514530     -1.40952518
+N      3.71832532      0.74035965     -0.02855364
+H      4.37915475     -2.16133824     -0.76420427
+H      3.83478237     -1.53053667     -2.35340218
+H      5.66206213     -0.03621295     -0.67545281
+H      4.56949295      2.17532727     -1.42907579
+H      3.16642353      1.19734342     -2.13215339 
+
+12
+-1306.2217390912676 8.682896 9.40753 -9.7213 -7.5938 -11.115 0.9965 -0.5519 0.097 10.26552 0.52921 4.3170437368 12.274304035 0.134031217
+O      1.26112251      0.13725784      0.58719068
+C      2.28562565     -0.03995160     -0.02726105
+O      2.52634499     -1.18510163     -0.75670828
+C      3.90192228     -1.23821645     -1.22194625
+C      4.51580835      0.10827545     -0.89618637
+N      3.78139632      1.20384428     -1.55564348
+C      3.48868516      0.85742699     -0.13038559
+H      4.40846514     -2.05731237     -0.68935979
+H      3.88252000     -1.44589583     -2.30091811
+H      5.58229476      0.19248151     -0.68441697
+H      4.36540585      2.04811431     -1.55254008
+H      3.69359901      1.56474751      0.67116528 
+
+12
+-1351.9645078319732 9.995431 10.98377 -10.1798 -8.0852 -11.188 0.3102 -1.6026 -0.472 10.26661 1.10121 3.6673942926 11.1073106072 0.217812216
+O      2.14868389     -0.91752339      0.46842262
+C      2.13279289      0.18832668     -0.03555631
+C      3.27275738      1.13945562     -0.01604672
+C      3.47077270      2.04431479     -1.21457676
+C      2.91278065      2.63670309      0.05021152
+C      3.72428013      3.49183902      0.86871028
+N      4.38801751      4.19129465      1.52754654
+H      1.22258732      0.57013700     -0.57469526
+H      4.15456464      0.81591552      0.53682658
+H      2.77876629      1.93946799     -2.05099364
+H      4.49832166      2.28582399     -1.48036183
+H      1.84636493      2.87494506      0.06205300 
+
+14
+-1482.6549005681177 10.323812 11.72725 -10.7367 -8.3844 -11.095 0.7124 -0.3737 1.377 10.66418 -0.98864 5.2848908514 10.8540072092 0.329944071
+O      2.90282925     -0.96382903     -0.72344887
+C      2.36072217      0.08510631      0.08819822
+C      3.33268381      1.23521306      0.06729068
+C      3.33869521      2.20393832     -1.07686914
+C      2.78426899      2.64398405      0.27262268
+C      3.51672545      3.57798322      1.07947230
+N      4.11519363      4.33820723      1.73467447
+H      2.36509578     -1.76143874     -0.58376773
+H      2.21188458     -0.25496974      1.12930202
+H      1.37990689      0.42237942     -0.30177488
+H      4.29815856      1.03403363      0.53524538
+H      2.60908642      2.06302072     -1.87453454
+H      4.29224268      2.63039799     -1.38425522
+H      1.69946656      2.74489354      0.34945463 
+
+18
+-1760.6688701362511 11.055492 12.1624 -8.5409 -6.4217 -9.942 0.948 -0.0176 3.146 9.19318 -2.84751 7.9684686326 10.7888029718 0.107716466
+O      1.82316575     -0.26846509     -1.17988639
+C      2.12155210      0.26487059      0.11942089
+C      3.18541245      1.35172012     -0.04013467
+C      2.66065521      2.62115070     -0.75414076
+C      2.48084514      3.64463165      0.37943152
+C      3.62987513      3.28444413      1.32124402
+N      3.60295098      1.81218957      1.30799319
+H      1.13113888     -0.94165590     -1.07592083
+H      2.50866985     -0.51991218      0.79523570
+H      1.22428105      0.70600992      0.59356326
+H      4.02197438      0.91273772     -0.61499662
+H      1.74227880      2.41665033     -1.32091822
+H      3.41270840      2.98643205     -1.46957948
+H      2.52327833      4.68574491      0.03153158
+H      1.51877864      3.49515294      0.89429965
+H      4.57878927      3.71085219      0.93233776
+H      3.48359429      3.66373512      2.34475594
+H      4.49801136      1.40908123      1.58307344 
+
+16
+-1629.6109605579288 10.685511 11.56374 -9.1101 -6.9663 -10.48 1.1241 -0.8114 0.07 9.9485 0.5794 3.6986139674 8.265030746 0.111653549
+O      1.89001587     -0.70677992     -0.73506921
+C      2.04111497      0.17996307      0.08375400
+C      3.08319966      1.28083892     -0.00208954
+C      2.39920995      2.66987922     -0.20230187
+C      2.99202232      3.57641568      0.90452602
+C      4.22404384      2.80772563      1.38731554
+N      3.77079088      1.41198319      1.29024386
+H      1.39662469      0.25660584      0.99944041
+H      3.75552829      1.05745605     -0.85231675
+H      1.30433005      2.59809633     -0.11567064
+H      2.61877672      3.04293964     -1.21120692
+H      3.24075878      4.58008874      0.53379181
+H      2.27691426      3.68577696      1.73202145
+H      5.09330748      3.02770934      0.73221187
+H      4.50507350      3.05029402      2.42269013
+H      4.53865873      0.74365729      1.37545984 
+
+12
+-1361.9189285148518 11.507968 10.76969 -8.7065 -6.8755 -8.742 -0.3447 -1.9247 -0.894 8.36933 1.50891 3.9142132228 4.2326712638 0.601471668
+O      0.94133179     -0.15246227      0.00834218
+C      2.28637456     -0.03092625     -0.00179881
+C      2.91008116      1.17925824     -0.00318660
+C      2.35716041      2.51956104      0.00495779
+C      3.44222405      3.35545426     -0.00135432
+C      4.61629611      2.49507967     -0.01332081
+N      4.32080647      1.21108520     -0.01411093
+H      0.70114563     -1.09516353      0.00736626
+H      2.88746505     -0.94402596     -0.00912127
+H      1.30230987      2.78044306      0.01412636
+H      3.43875580      4.44386313      0.00161497
+H      5.65546911      2.83001341     -0.02066482 
+
+14
+-1508.544347482132 11.004268 11.36186 -7.934 -5.9662 -7.811 0.8009 -0.2815 1.109 7.33093 -0.50357 4.7052934972 6.3147557632 0.450016294
+O      2.93617574     -0.67707564     -1.16403936
+C      2.28911003      0.01121785     -0.07160637
+C      2.75624794      1.42467751     -0.05077798
+C      2.07758380      2.61352686      0.17169700
+C      3.03564297      3.66795437      0.15487590
+C      4.27351463      3.09810199     -0.08815913
+N      4.09271719      1.73635282     -0.19061855
+H      2.73778486     -1.62460924     -1.07228152
+H      2.53593521     -0.49732195      0.88136924
+H      1.19056429      0.00546530     -0.18060648
+H      1.00769676      2.70709427      0.33642158
+H      2.84180958      4.72684742      0.29711904
+H      5.25453730      3.54541142     -0.20834391
+H      4.79308970      1.06258701     -0.48276947 
+
+18
+-1759.1434245668775 11.07829 12.14136 -8.6924 -6.5268 -10.14 0.9457 0.0022 3.046 9.40861 -2.75216 8.2704117384 11.39307354 0.104763663
+O      1.73477460     -0.22958849     -1.23303536
+C      2.22128120      0.16114167      0.06044038
+C      3.21069280      1.30694849     -0.12047661
+C      2.55588123      2.56773205     -0.75941692
+C      2.83302604      3.70033007      0.24321827
+N      2.89258189      2.98087668      1.52266138
+C      3.73889460      1.81257267      1.24391690
+H      1.04169858     -0.89739072     -1.10245610
+H      2.72717408     -0.68930546      0.55665423
+H      1.39281371      0.49898309      0.71170610
+H      4.04193976      0.93994680     -0.74153885
+H      1.47490041      2.40516080     -0.87443755
+H      2.96023146      2.78825068     -1.75573919
+H      3.79070516      4.20540369     -0.01173447
+H      2.04102807      4.46371228      0.26047585
+H      3.27962508      3.55955338      2.27061394
+H      4.81562321      2.06938056      1.14866659
+H      3.64264813      1.06204177      2.04486139 
+
+16
+-1628.681574474833 10.533383 11.35609 -9.0014 -6.8391 -10.398 1.091 -0.8154 0.071 9.98438 0.58464 3.7083840642 11.5571318152 0.164229992
+O      0.71362296      0.42152198      0.23422152
+C      1.91049575      0.25733407      0.36375956
+C      2.99338786      1.22257923     -0.09333860
+C      2.47000820      2.65668894     -0.34635947
+C      3.16549053      3.51377007      0.73491067
+N      3.54904803      2.52463080      1.75472922
+C      4.07767380      1.39138115      0.99075286
+H      2.30857915     -0.68177542      0.83342550
+H      3.42928779      0.75965066     -0.99693760
+H      1.37735758      2.66127167     -0.23204394
+H      2.70584592      3.01213340     -1.35711761
+H      4.04320432      4.03169232      0.29330934
+H      2.50179116      4.27615279      1.16739704
+H      4.23370655      2.89842588      2.41440979
+H      5.05741918      1.59592591      0.50802184
+H      4.19104123      0.49932653      1.62745987 
+
+14
+-1491.0366264792192 10.837768 11.08927 -9.1769 -7.0087 -9.6 -0.1507 -1.895 -0.873 9.54243 1.49946 3.3948854632 4.8077183318 0.424406056
+O      0.98589718     -0.10099556      0.27681966
+C      2.18208329     -0.01095582      0.02194260
+C      2.91859245      1.25150239     -0.03102357
+C      4.24475930      1.36256647     -0.25615786
+C      4.66492051      2.80481833     -0.17505016
+N      3.40273761      3.57999183     -0.12648205
+C      2.32499336      2.62152033      0.22667010
+H      2.79486486     -0.92313938     -0.19507484
+H      4.93158202      0.52958737     -0.41725386
+H      5.26375263      2.96587117      0.74426715
+H      5.30219030      3.12412842     -1.01466393
+H      3.21497136      3.93408881     -1.06523740
+H      1.41079485      2.80886338     -0.35379993
+H      2.04745028      2.71445226      1.29239411 
+
+12
+-1358.347855609102 11.33853 10.69732 -8.4728 -6.5281 -8.347 -0.4077 -2.0002 -0.988 7.85001 1.58416 3.2580545136 5.799569136 0.387654129
+O      0.90072654     -0.17476840      0.00596333
+C      2.24726082     -0.06124177     -0.00074502
+C      2.87717883      1.14190454     -0.00120633
+C      2.36374388      2.49888646      0.00455059
+C      3.47408401      3.29527673      0.00046329
+N      4.68707929      2.56080009     -0.00741184
+C      4.33397795      1.29915800     -0.00855958
+H      0.64993394     -1.11540906      0.00498192
+H      2.81976002     -0.99404940     -0.00587954
+H      1.31976405      2.79713580      0.01069547
+H      3.51476630      4.38334101      0.00272513
+H      5.06502438      0.48822597     -0.01422742 
+
+16
+-1617.2786201874383 11.035201 11.82773 -8.727 -6.5128 -8.774 0.896 -0.2925 1.409 8.26443 -0.7486 5.906879019 5.906879019 0.284800669
+O      2.22697360     -0.37987514      1.42998064
+C      2.49755362     -0.05147209      0.05252939
+C      2.99406838      1.35512970     -0.01894273
+C      4.14481761      1.78692890     -0.55499653
+C      4.27421648      3.28243958     -0.40190780
+N      2.95093993      3.74111047      0.09337352
+C      2.23386855      2.52969048      0.56726511
+H      1.77024971     -1.23772254      1.44359389
+H      1.56822468     -0.14034873     -0.54538042
+H      3.24589695     -0.73914766     -0.38168670
+H      4.92059798      1.15261295     -0.98697540
+H      5.06885621      3.52329152      0.33179469
+H      4.54544912      3.80144689     -1.33537830
+H      2.43600682      4.11234349     -0.70622274
+H      1.17353384      2.55474564      0.26617319
+H      2.24638651      2.46987654      1.67078018 
+
+14
+-1506.5801313342483 10.933648 11.3668 -8.1139 -6.1566 -7.999 0.8574 -0.0502 1.065 7.47832 -0.48353 4.83731379 6.2634131606 0.426919626
+O      2.42739205     -0.59339686     -1.31875579
+C      2.29370121     -0.01682676      0.00032920
+C      2.86227541      1.36316183      0.00420029
+C      2.13542285      2.54178848      0.07995613
+N      3.02555727      3.59064372      0.05648540
+C      4.31533310      3.10772314     -0.03688452
+C      4.24264338      1.72883740     -0.06971158
+H      2.15884099     -1.52642056     -1.25242817
+H      2.82657067     -0.64404807      0.73918075
+H      1.23008046      0.02331937      0.30040494
+H      1.06483617      2.70854195      0.14546835
+H      2.77291816      4.57054236      0.10372965
+H      5.16494281      3.78150491     -0.07080682
+H      5.08561548      1.04874907     -0.15100783 
+
+13
+-1355.2288138680462 9.699094 10.02629 -8.7676 -6.685 -9.502 0.8038 -1.2034 -0.153 9.05087 0.80691 3.6510529378 11.6574612864 0.159872793
+O      1.66990864     -0.59358441     -0.74625370
+C      2.02190695      0.17232640      0.12825959
+C      3.12311438      1.21900477     -0.02004586
+C      3.57199486      1.47029893     -1.47187084
+C      3.47499141      2.97273685     -1.54625404
+N      2.96193111      3.53044963     -0.50390732
+N      2.56874468      2.54339853      0.40118521
+H      1.53116347      0.16659362      1.13409484
+H      3.96335709      0.91067392      0.63193419
+H      2.88289575      0.97039409     -2.17382803
+H      4.58191325      1.09710139     -1.69138070
+H      3.76458799      3.58464868     -2.39985632
+H      2.78916043      2.83846760      1.35192297 
+
+11
+-1219.8605138822797 10.73367 9.95598 -8.9658 -7.0599 -9.056 -0.8509 -2.517 -1.593 8.37352 2.30872 3.2699819668 4.3386916924 0.445088204
+O      0.93130864     -0.20607758      0.00645250
+C      2.26218867     -0.03498596     -0.00137409
+C      2.84692408      1.19559878     -0.00154952
+C      2.33690992      2.53884498      0.00537954
+C      3.47144686      3.29905731      0.00022657
+N      4.62509696      2.48000607     -0.00936481
+N      4.26628558      1.23593822     -0.01045310
+H      0.72056187     -1.15760410      0.00491996
+H      2.90103075     -0.92294721     -0.00788087
+H      1.29884705      2.85450897      0.01282829
+H      3.58168962      4.38110050      0.00245553 
+
+15
+-1488.7996009389624 10.262404 10.86207 -8.3632 -6.3539 -9.15 0.8911 -0.1494 0.735 8.69883 -0.13428 5.1598261732 5.3529839626 0.157765403
+O      3.11682455     -1.01114379     -0.54005003
+C      2.37917888      0.03712681      0.10150448
+C      3.20035591      1.31300097     -0.01119250
+C      3.35070146      1.86908205     -1.44280461
+C      3.23902471      3.35024365     -1.17272704
+N      2.79605423      3.63502746      0.00501246
+N      2.51516128      2.44099870      0.67639163
+H      2.59652468     -1.82884859     -0.47513659
+H      2.20160223     -0.19754049      1.16802983
+H      1.39739861      0.20102059     -0.37963016
+H      4.20101060      1.13100861      0.42650512
+H      2.52338072      1.52799990     -2.09229532
+H      4.28856856      1.57290411     -1.92924976
+H      3.43356589      4.14908695     -1.88789163
+H      2.73933769      2.54865307      1.66573410 
+
+13
+-1377.6163274436392 9.976637 10.49211 -8.8413 -6.8822 -8.878 0.6983 -0.4377 0.553 8.17342 -0.00528 5.043502508 6.479632346 0.343503565
+O      3.09018787     -0.72029033     -1.02554747
+C      2.25004618      0.00872185     -0.11660512
+C      2.72296256      1.42670990     -0.08139074
+C      2.10142788      2.61620862      0.27999866
+C      3.10888155      3.60026994      0.15310221
+N      4.27228049      3.08047336     -0.26503845
+N      4.00897602      1.75815969     -0.38424341
+H      2.90469147     -1.66666896     -0.91129279
+H      2.30698053     -0.43246593      0.89664647
+H      1.19248596     -0.01575524     -0.43464021
+H      1.06965173      2.74863473      0.58960207
+H      3.03730728      4.66857939      0.34000317
+H      4.71237048      1.12547299     -0.75336438 
+
+12
+-1287.5388501876625 9.246973 9.87647 -9.4734 -7.4045 -9.287 1.1213 -0.588 -0.114 8.65484 0.67154 4.7815076914 6.9221755758 0.40221299
+O      1.52498723     -0.25435116     -0.93689802
+C      2.66259032     -0.06250679     -0.09809500
+C      2.89503402      1.40763651      0.02569426
+C      2.24871937      2.50184308     -0.47566606
+C      3.00392544      3.59145570      0.03910393
+N      4.01927734      3.20668695      0.78710901
+O      3.95254584      1.79099749      0.78066285
+H      1.36870992     -1.21007633     -1.00910570
+H      3.56925916     -0.53549799     -0.52068613
+H      2.50531411     -0.48807343      0.91117521
+H      1.37214796      2.51197386     -1.11188372
+H      2.84531930      4.65779212     -0.10796063 
+
+10
+-1154.885649506521 9.223434 9.19089 -10.2361 -8.2021 -10.191 -0.9062 -2.7192 -1.81 9.57666 2.08489 3.1820138998 4.4524364488 0.337119321
+O      2.77826515     -1.11962900      0.06266717
+C      2.20549969     -0.04597982     -0.00493800
+C      2.86752576      1.26671848      0.00955395
+C      2.33877518      2.53506587     -0.06002663
+C      3.47709303      3.37423249      0.00081152
+N      4.60105158      2.68154130      0.09873866
+O      4.21990309      1.33823866      0.10465932
+H      1.09348411      0.03234043     -0.08714417
+H      1.29379213      2.81406513     -0.14184930
+H      3.53323027      4.45991646     -0.02206251 
+
+12
+-1274.718039165491 8.869386 9.34253 -9.5619 -7.4469 -10.731 0.5565 -1.5049 -0.301 10.37979 0.91928 3.6650385586 6.306485897 0.156183258
+O      1.74239023     -0.60192810     -0.77978662
+C      1.99646467      0.24609597      0.05145318
+C      3.21010872      1.17669279     -0.02259784
+C      3.66597532      1.47544959     -1.45098717
+C      3.13380821      2.87448293     -1.59035467
+N      2.68792570      3.39924042     -0.50594953
+O      2.82048579      2.46987050      0.55047770
+H      1.35161138      0.41474019      0.94795451
+H      3.99904868      0.76252247      0.62634295
+H      3.21891456      0.76431330     -2.16231302
+H      4.75855270      1.45004964     -1.58088651
+H      3.11919404      3.46994031     -2.50240299 
+
+14
+-1408.0831169980518 9.413161 10.10285 -9.23 -7.1397 -10.362 1.4444 -0.2956 0.413 9.97174 0.1724 5.4755689208 6.2152074038 0.174961468
+O      2.92923944     -0.96154641     -0.67433159
+C      2.38554259      0.13110738      0.07649488
+C      3.38836707      1.27946390     -0.00186984
+C      3.54399376      1.86956479     -1.40953208
+C      2.76831056      3.14644435     -1.24348523
+N      2.41759874      3.41398824     -0.03700528
+O      2.85818210      2.38235233      0.81588546
+H      2.31203542     -1.70861587     -0.60856977
+H      2.23526729     -0.13585386      1.13664817
+H      1.41698626      0.46888127     -0.33754014
+H      4.34535887      0.97463524      0.44498025
+H      3.13264354      1.20531405     -2.18328983
+H      4.59132413      2.07910281     -1.68009788
+H      2.51430023      3.85621177     -2.03020713 
+
+12
+-1287.1480338355964 9.198304 9.85078 -9.7674 -7.7112 -9.634 0.9901 -0.686 -0.158 9.02208 0.69384 5.0364849004 6.8580748138 0.325595167
+O      2.65248204     -0.63876485     -1.16464327
+C      2.20463500      0.05248382      0.00834383
+C      2.85853819      1.39947197      0.03795502
+N      2.14808446      2.46377664      0.36908948
+O      3.05572272      3.54130293      0.34709659
+C      4.27233763      3.07017478     -0.01255574
+C      4.22287989      1.72488482     -0.22209639
+H      2.25686654     -1.52650410     -1.15167879
+H      2.48800723     -0.50218449      0.92298832
+H      1.11085420      0.19411485      0.01867975
+H      5.06373246      3.81114498     -0.07763507
+H      5.01979965      1.05881865     -0.53158373 
+
+10
+-1156.4856241032762 8.877149 9.1085 -10.2638 -8.137 -10.175 -0.4291 -2.3217 -1.663 9.5105 2.0236 3.2180814272 6.0611052044 0.408846231
+O      2.54477790     -1.11328312      0.10874001
+C      2.09143068      0.01490370      0.01101273
+C      2.93905400      1.22725626     -0.01001018
+N      2.35410385      2.41518474     -0.11975690
+O      3.39443724      3.33986596     -0.11071178
+C      4.57590959      2.67301929      0.00467861
+C      4.35898515      1.33206773      0.07311357
+H      0.99840883      0.21663654     -0.07056544
+H      5.46371957      3.29763660      0.02241621
+H      5.07632319      0.52549231      0.16784316 
+
+12
+-1312.506344324188 9.125692 9.7694 -9.8031 -7.742 -10.825 0.4635 -1.5361 -0.605 10.56173 1.23424 3.6222013956 6.4719328154 0.134680649
+O      1.31401953      0.09811654      1.42711947
+C      1.79333840      0.31195399      0.33060849
+C      3.05135429      1.11232729      0.09152808
+C      2.82625138      2.54627657     -0.49574962
+C      3.39752554      3.04048518      0.86016388
+O      3.56113611      4.11853447      1.38604050
+N      3.65417090      1.73868577      1.26918766
+H      1.32502013     -0.09394342     -0.60344374
+H      3.75051386      0.49724626     -0.50411976
+H      1.77825127      2.83032141     -0.65298514
+H      3.42551154      2.79951186     -1.37748135
+H      3.72687705      1.36511408      2.21538153 
+
+14
+-1445.5322725563738 9.630137 10.59681 -9.4931 -7.4705 -10.665 0.7486 -0.3011 0.584 9.76986 0.09745 4.4129469078 6.4481894964 0.152360348
+O      2.00470558     -0.39839185     -1.28368830
+C      2.00403879      0.19603889      0.01715872
+C      3.13588266      1.21094822      0.04974907
+C      2.90127372      2.55603234     -0.69478526
+C      3.06342837      3.22791999      0.68981240
+O      3.09497035      4.36221304      1.12025326
+N      3.19850476      1.98992490      1.30081744
+H      1.27786519     -1.04155945     -1.32451574
+H      2.16851465     -0.56376264      0.80542218
+H      1.05022490      0.71288832      0.23400485
+H      4.08822786      0.72449257     -0.21696293
+H      1.91038768      2.67022395     -1.15175914
+H      3.67835321      2.84073611     -1.41381193
+H      3.52743229      1.74430560      2.23395537 
+
+15
+-1478.1992527621376 10.616254 11.44917 -9.2235 -7.2454 -10.096 0.8737 -0.3233 0.893 9.39178 -0.32869 4.8602264028 6.5791683068 0.174623434
+O      2.59277111     -0.91647672     -0.24861922
+C      1.89600142      0.33294226     -0.18401658
+C      2.90400453      1.39665949      0.17390926
+C      3.70382565      2.09997485     -0.88533808
+N      2.58187118      2.76231890     -0.21778012
+C      2.77435735      3.85189574      0.64670573
+N      2.44847514      3.96075409      1.87970843
+H      1.93526786     -1.62084650     -0.37340034
+H      1.10108993      0.30779838      0.58453032
+H      1.42743923      0.59464197     -1.15011933
+H      3.39986815      1.26485594      1.14280107
+H      3.54835229      1.84379319     -1.93629283
+H      4.71460756      2.41765111     -0.61544343
+H      3.19371805      4.72643244      0.12797962
+H      2.05995056      3.07198487      2.23432551 
+
+12
+-1290.525881558567 9.455191 10.12932 -9.9791 -7.8571 -11.093 0.3826 -1.5544 -0.439 10.27255 1.0207 3.6409356802 6.5838549776 0.138022066
+O      1.95483301     -0.90034353      0.27671841
+C      1.92476146      0.20436788     -0.22764665
+C      2.92259232      1.27860644      0.06754506
+C      3.51399660      2.04683732     -1.10683272
+N      2.51394500      2.63981711     -0.24690898
+C      2.73374291      3.71975564      0.61563548
+O      2.57558896      3.68919348      1.82047310
+H      1.14481821      0.49949501     -0.97637202
+H      3.55566899      1.12211679      0.94503438
+H      3.19381174      1.80402552     -2.12347206
+H      4.55453226      2.36216649     -0.99370347
+H      3.00011854      4.64004185      0.04906947 
+
+14
+-1422.842346371499 9.876644 10.90127 -9.6553 -7.6341 -10.798 1.1367 -0.5622 0.192 10.02692 0.41445 4.1172774936 12.1739745638 0.202022789
+O      1.42328278     -0.37090700     -0.95558152
+C      2.46166079      0.59477259     -1.14850426
+C      2.28433457      1.66178370     -0.09714074
+C      2.94142759      1.54648006      1.25365127
+N      3.46694422      2.44860698      0.24324549
+C      3.46238195      3.83437348      0.38002440
+O      3.75779358      4.43853907      1.39681615
+H      1.46105340     -1.00595192     -1.69011215
+H      2.39945243      1.05627304     -2.15178789
+H      3.46778526      0.14917750     -1.04039919
+H      1.32589154      2.19190538     -0.12486833
+H      3.55048541      0.66499352      1.46606587
+H      2.44873576      2.00682834      2.11310973
+H      3.22321070      4.33961524     -0.58370886 
+
+15
+-1453.4100937368128 10.971393 11.68486 -8.823 -6.798 -10.415 1.2563 -0.5756 0.623 10.30363 -0.05341 4.757466806 6.9930335748 0.638102493
+O      2.15535469     -0.82073223      0.21019875
+C      1.84598709      0.57100897      0.04759512
+C      3.14514914      1.31043324     -0.13687210
+C      3.75549479      1.52486937     -1.46520791
+N      3.01223627      2.63747449     -0.80424454
+N      3.96124390      3.56137611     -0.21846860
+C      3.51301217      4.75796130     -0.23531153
+H      1.32859035     -1.28603489      0.42032666
+H      1.32340408      0.96893769      0.93761419
+H      1.20168293      0.74444803     -0.83294067
+H      3.83618005      1.28473520      0.70960117
+H      3.26704340      1.14809790     -2.36541181
+H      4.84036354      1.63409902     -1.50691433
+H      4.15349379      5.53856872      0.18391142
+H      2.52841380      5.01739706     -0.64950583 
+
+12
+-1312.7898412430604 9.14101 9.68542 -9.7475 -7.6916 -11.016 0.6347 -1.3317 -0.616 10.41895 1.15892 3.6647409922 11.3916229038 0.128087155
+O      0.65147062      0.56829607      0.52708874
+C      1.82074019      0.23476810      0.44926349
+C      2.93561406      1.13058580     -0.01630368
+C      2.59325311      2.60564357     -0.32402429
+N      3.44930647      2.98285697      0.81759283
+C      3.82312252      1.71070946      1.16489403
+O      4.53976153      1.24167811      2.02013854
+H      2.15248658     -0.78760061      0.75441566
+H      3.56597387      0.61162455     -0.75297473
+H      1.53103936      2.84646881     -0.18540484
+H      2.96065324      2.97105986     -1.29263732
+H      3.69262844      3.88231931      1.22892157 
+
+14
+-1444.652282339943 9.597086 10.49235 -9.5254 -7.5234 -10.729 0.8271 -0.2041 0.581 9.75528 0.10787 4.4325490944 6.4374399102 0.134441934
+O      1.84776734     -0.42220359     -1.18340960
+C      2.00961792      0.17746161      0.11083648
+C      3.12669100      1.19438039      0.01687652
+C      2.81980068      2.53639112     -0.70855938
+N      3.05384216      3.21153800      0.58027267
+C      3.33791245      2.06509643      1.29100355
+O      3.62500199      1.85570655      2.45322550
+H      1.15473418     -1.10052359     -1.11452493
+H      2.27608764     -0.57553494      0.87348192
+H      1.07639238      0.67597459      0.43642031
+H      4.05558731      0.71450572     -0.32330149
+H      1.78954471      2.62703097     -1.08254002
+H      3.53413346      2.81369515     -1.49669500
+H      3.05069680      4.19245158      0.85650346 
+
+14
+-1502.7601568670111 11.405199 11.16266 -8.0886 -6.2061 -8.708 0.5368 -1.1024 -0.7 8.18391 1.39065 3.484502544 4.1068874668 0.391511028
+O      0.97579811     -0.13427595      0.09604655
+C      2.19463133      0.00626838     -0.04695775
+C      2.88755664      1.26561484     -0.02541235
+C      4.23884230      1.42568138     -0.15619911
+N      4.62976817      2.73232749     -0.02907906
+C      3.43029742      3.60020149     -0.10125059
+C      2.26973723      2.62882734      0.22942753
+H      2.85562744     -0.88406460     -0.21967555
+H      4.98500269      0.64459475     -0.30309114
+H      5.50732639      3.04722680     -0.43278581
+H      3.32728693      4.01230996     -1.12008917
+H      3.51401641      4.43598349      0.60582037
+H      1.37794568      2.80990381     -0.38433974
+H      1.95980325      2.71394082      1.28383582 
+
+13
+-1374.0156623490623 9.812273 10.16877 -9.1743 -7.0922 -9.872 0.7297 -1.2252 -0.139 10.13151 0.773 3.6782182704 7.6711254074 0.152945023
+O      2.39423091     -1.00550006      0.44571103
+C      2.14891308      0.13683380      0.10690609
+C      3.17816585      1.24179322      0.01755336
+C      3.53156928      1.56854092     -1.48099436
+N      3.59726703      3.03657019     -1.57120931
+C      3.09487681      3.48249644     -0.47797595
+N      2.63664974      2.54116942      0.44741533
+H      1.12005535      0.45579176     -0.20480303
+H      4.07552690      0.94839344      0.58759500
+H      2.74276351      1.20677049     -2.16365706
+H      4.47678728      1.10297028     -1.78838604
+H      2.97105606      4.54596267     -0.26000382
+H      2.69233820      2.77600742      1.43680875 
+
+11
+-1239.4429600364151 10.493484 9.92664 -9.1279 -7.2472 -9.028 -0.7489 -2.4109 -1.2 8.72094 1.8065 4.0256022452 4.0256022452 0.329984877
+O      0.94242643     -0.10956294      0.00784418
+C      2.28630094     -0.03619141     -0.00249633
+C      2.94774515      1.15468553     -0.00385293
+C      2.45674820      2.52147896      0.00422871
+N      3.47904498      3.34991404     -0.00114665
+C      4.59539527      2.48704483     -0.01230413
+N      4.35258203      1.19741339     -0.01446930
+H      0.66471634     -1.04250519      0.00802136
+H      2.85273587     -0.97168037     -0.00979735
+H      1.42074530      2.85776885      0.01318072
+H      5.60507949      2.89718430     -0.01873826 
+
+15
+-1505.4640298731463 10.147337 10.83332 -8.6238 -6.5624 -9.373 0.8063 -0.1811 0.909 8.79159 -0.31637 5.1380542316 9.4148025184 0.163505036
+O      3.04075729     -0.98079440     -0.52929533
+C      2.31334598      0.09687283      0.07251031
+C      3.23197569      1.31306758      0.06985875
+C      3.53956546      1.88224331     -1.34888975
+N      3.39161353      3.35082764     -1.25882818
+C      2.88472373      3.57845373     -0.10115634
+N      2.58305291      2.47944450      0.70599073
+H      2.45594003     -1.75495460     -0.57065696
+H      2.01755797     -0.15215496      1.10951823
+H      1.39641745      0.34138690     -0.49593612
+H      4.16618333      1.04591221      0.59688712
+H      2.82048391      1.49240088     -2.09003086
+H      4.54442803      1.61937509     -1.70518419
+H      2.63488488      4.58036442      0.25879289
+H      2.69732980      2.59548487      1.71140969 
+
+13
+-1388.025108603719 10.093654 10.5053 -8.542 -6.5319 -8.196 0.693 -0.4403 0.816 7.74396 -0.13788 4.656852167 12.5373775298 0.274733991
+O      2.87751218     -0.64723863     -1.21512367
+C      2.28841781      0.00531390     -0.07136533
+C      2.77680434      1.40895110     -0.01930914
+C      2.15152684      2.61414122      0.23379231
+N      3.05881466      3.65363870      0.23328851
+C      4.22690124      3.09085249     -0.02918308
+N      4.11365094      1.73228579     -0.17296681
+H      2.64180839     -1.58973570     -1.17075130
+H      2.56719515     -0.53779728      0.85268959
+H      1.18621940      0.02087237     -0.13251192
+H      1.09450593      2.78344774      0.42273720
+H      5.17638797      3.60871658     -0.13417394
+H      4.83488515      1.08162171     -0.47164242 
+
+12
+-1309.8381286007275 9.211978 9.87772 -9.0675 -6.949 -8.546 0.8111 -0.3044 0.223 8.15898 0.39458 4.3570168232 9.494723894 0.324503488
+O      1.45321846     -0.26932290     -0.84080875
+C      2.66453995     -0.07482515     -0.11187906
+C      2.94043521      1.38952188     -0.09047971
+C      2.30162810      2.49689121     -0.56104711
+N      3.04705758      3.63135533     -0.23749777
+C      4.07817409      3.16841508      0.39935423
+O      4.09735653      1.80107304      0.53705943
+H      1.25378427     -1.21931551     -0.83587412
+H      3.51554490     -0.60237530     -0.58487331
+H      2.57975478     -0.44913212      0.92684644
+H      1.36570610      2.55052079     -1.10568772
+H      4.91538005      3.70774364      0.83097744 
+
+10
+-1181.3673483191824 9.24123 9.187 -9.9607 -7.9608 -9.545 -0.5964 -2.3628 -1.304 9.10109 1.81561 3.3773910386 4.1962689742 0.379190446
+O      2.76617769     -1.11974586      0.14300260
+C      2.21176496     -0.03703255      0.02202295
+C      2.88081145      1.25650105      0.00602492
+C      2.40718465      2.54219650     -0.12008623
+N      3.45936117      3.43507483     -0.07366430
+C      4.50956787      2.66961052      0.07588571
+O      4.25420101      1.33898888      0.13395912
+H      1.10315804      0.05341819     -0.09150595
+H      1.37877536      2.87095957     -0.24028758
+H      5.55018780      2.96971885      0.15799876 
+
+11
+-1212.984945809995 9.176867 9.34165 -10.3582 -8.2447 -10.363 -0.2119 -2.0299 -0.642 10.49159 1.24816 3.6451016098 9.9408007248 0.217090339
+O      1.77717580     -0.73795326     -0.80378524
+C      2.01130399      0.03750499      0.09542901
+C      3.08010923      1.13527510      0.03898217
+C      2.63147150      2.50087395      0.47861898
+N      2.89211713      3.41051162     -0.39957443
+N      3.53658977      2.77782349     -1.53814273
+C      3.63288548      1.51188362     -1.29799670
+H      1.46020719     -0.00396833      1.06669512
+H      3.88773125      0.78284632      0.71303529
+H      2.14412327      2.74604002      1.42334283
+H      4.07068538      0.82681247     -2.02347430 
+
+13
+-1355.6421223323614 9.96502 10.16796 -8.8054 -6.7994 -9.538 0.4303 -1.4895 -0.467 9.06232 0.98938 3.6434030016 11.8583186064 0.142455718
+O      1.87990231     -0.44253484     -1.24926769
+C      2.10010822      0.13539160     -0.20350782
+C      3.12760184      1.23488732     -0.02637846
+C      3.75863950      1.29063380      1.37757793
+N      3.88357743      2.74994558      1.60255975
+N      2.91212704      3.40580984      0.86852472
+C      2.47772874      2.61933076     -0.05713463
+H      1.50711693     -0.09163387      0.72254684
+H      3.86941556      1.14985922     -0.83885442
+H      4.73610283      0.79679279      1.43904019
+H      3.07171034      0.82783659      2.11420023
+H      3.87886846      3.06462663      2.57260874
+H      1.78030079      2.96840458     -0.81571536 
+
+11
+-1219.432131610718 10.394147 9.83295 -9.3473 -7.4512 -9.585 -0.7938 -2.4782 -1.328 9.04746 1.89664 3.967861965 4.7649183646 0.492971054
+O      0.90027579     -0.11844942      0.00628447
+C      2.24615634     -0.06655570     -0.00056592
+C      2.92430471      1.11003638     -0.00096034
+C      2.46205956      2.48655347      0.00496955
+N      3.47408093      3.31486870      0.00198680
+N      4.68799951      2.54873518     -0.00649593
+C      4.36786426      1.28229755     -0.00822616
+H      0.60349080     -1.04620276      0.00532640
+H      2.77461704     -1.02537847     -0.00603376
+H      1.43239506      2.84020210      0.01136661
+H      5.12791600      0.50068296     -0.01428172 
+
+13
+-1347.4896396212328 9.613557 10.07114 -9.975 -7.9307 -9.97 0.2425 -1.5419 0.105 9.65098 0.4432 4.9208555568 12.3098012268 0.228797528
+O      3.07081341     -1.07099210     -0.54477776
+C      2.33853911     -0.03675386      0.11728511
+C      3.20243969      1.23003676      0.07720911
+C      2.62245605      2.42840336      0.76346738
+N      2.52534412      3.45940957     -0.00950758
+N      3.01699244      3.08308125     -1.32686628
+C      3.38736260      1.84543637     -1.27562160
+H      2.49561539     -1.85126859     -0.61677044
+H      2.13600714     -0.30209332      1.17055715
+H      1.37397903      0.16131026     -0.38247731
+H      4.18753461      0.97455789      0.51334562
+H      2.31149404      2.48234746      1.80855210
+H      3.79145237      1.33823494     -2.15240552 
+
+15
+-1487.1834683682262 10.310871 10.86481 -8.316 -6.3091 -9.108 0.9568 -0.2769 0.772 8.66109 -0.16381 5.1279617712 9.1204597544 0.141069017
+O      2.36292007     -0.31721675     -1.53229346
+C      2.40949970      0.01930471     -0.14047385
+C      3.24571750      1.28584663      0.00486075
+C      3.43936502      1.75180689      1.46159055
+N      3.48893268      3.22531840      1.30529929
+N      2.75664111      3.58265937      0.16997393
+C      2.62751668      2.53993944     -0.57981924
+H      1.79410394     -1.09789509     -1.63605069
+H      2.86819197     -0.79843950      0.44796027
+H      1.39457073      0.20195690      0.26071654
+H      4.22258327      1.10193461     -0.48160216
+H      4.36174940      1.37722496      1.92316973
+H      2.57436338      1.43878026      2.08044611
+H      3.16311421      3.76424575      2.10754117
+H      2.17190036      2.61677342     -1.56561894 
+
+13
+-1375.3714910541084 10.008175 10.51529 -8.9863 -7.112 -8.991 0.9429 -0.2045 0.427 8.3517 0.10756 4.9643126498 6.4513387408 0.285427081
+O      2.04372474     -0.42667274     -1.33333169
+C      2.42163387     -0.06284839      0.01183936
+C      2.89817283      1.35170240      0.02419219
+C      2.13472025      2.50898512     -0.08612444
+N      3.01004003      3.54823813     -0.04457740
+N      4.30236017      3.16280774      0.09062992
+C      4.22942039      1.82580672      0.12713223
+H      1.73577758     -1.34963441     -1.30860044
+H      3.23127032     -0.71809546      0.38077608
+H      1.55992317     -0.18086788      0.69436173
+H      1.06575452      2.65868873     -0.20134309
+H      2.79768461      4.53880746     -0.10169110
+H      5.14080751      1.24142257      0.23061665 
+
+12
+-1285.2653089367698 9.207232 9.8089 -9.6384 -7.6713 -9.49 1.0165 -0.7212 -0.237 8.90436 0.75802 4.8660289476 6.8254293 0.344383035
+O      2.53791608     -0.61993300     -1.28226596
+C      2.27390216     -0.01950305     -0.00289413
+C      2.82711769      1.36725334     -0.00182036
+C      2.16485044      2.55575716      0.12846161
+O      3.02547185      3.59516196      0.09373808
+N      4.33442990      3.08790695     -0.08087353
+C      4.18778279      1.78050920     -0.13260649
+H      2.27890091     -1.55609975     -1.22708225
+H      2.74813003     -0.60747486      0.80443409
+H      1.18952639      0.01810965      0.20576240
+H      1.11612750      2.81054895      0.25306537
+H      5.07053426      1.16058346     -0.27393884 
+
+10
+-1157.1440450393388 8.959476 9.06953 -10.1106 -8.0305 -10.274 -0.2431 -2.0691 -1.392 9.68707 1.96127 3.4354536824 11.6129131166 0.291062616
+O      2.65696806     -1.15548272      0.06722933
+C      2.13842157     -0.04976210      0.00394270
+C      2.88938933      1.20670132      0.00213891
+C      2.39973779      2.48969538     -0.06522580
+O      3.39749507      3.38164544     -0.04201529
+N      4.63886932      2.67545803      0.04572200
+C      4.30549092      1.40771098      0.06953784
+H      1.02823054      0.06637499     -0.05853685
+H      1.39433323      2.89753264     -0.13121977
+H      5.08232417      0.64957604      0.13494691 
+
+12
+-1310.9821502583275 9.121759 9.86554 -9.0695 -7.0199 -8.638 1.5279 -0.2348 0.177 8.16062 0.42886 4.3833142538 11.2631610092 0.381904207
+O      1.36708154     -0.22045220     -0.77287410
+C      2.60181389     -0.08299461     -0.06479441
+C      2.96848490      1.36384333     -0.03869802
+C      2.30823486      2.43281870     -0.56405026
+O      3.04487657      3.56683726     -0.28325310
+C      4.12299759      3.09527878      0.40766074
+N      4.13508835      1.80661286      0.58368231
+H      1.13482874     -1.16285056     -0.78426540
+H      3.41652723     -0.65109244     -0.55174797
+H      2.51859662     -0.45246431      0.97452177
+H      1.38866045      2.56486176     -1.11838981
+H      4.85141926      3.82988144      0.73637826 
+
+10
+-1179.1602955673395 8.984228 9.17688 -9.8548 -7.755 -9.569 -0.0438 -1.8916 -1.06 9.71789 1.67723 3.3679928998 5.0402664734 0.233312987
+O      2.68337399     -1.14993650      0.12372735
+C      2.19144209     -0.03944742      0.01994465
+C      2.94309453      1.22391586      0.01259720
+C      2.40889395      2.48310646     -0.10301922
+O      3.42682132      3.38929732     -0.06801052
+C      4.55736846      2.60438135      0.07139471
+N      4.33244401      1.33300100      0.12361791
+H      1.08503760      0.10338289     -0.08151359
+H      1.40474091      2.87797182     -0.20995697
+H      5.50278314      3.13578723      0.12136848 
+
+16
+-1548.3502243785574 9.991341 11.02886 -9.5384 -7.3985 -11.081 0.8054 -0.2987 2.57 10.44446 -2.2486 8.5400688898 12.2287267814 0.112021785
+O      1.38844488     -0.85711154      0.58236389
+C      1.49639657      0.50197055      0.10110669
+C      2.95801821      0.89631412      0.10354444
+C      3.66208655      0.79442632      1.44651115
+O      3.89119491     -0.55055107      1.86623582
+C      3.76808809      0.73604984     -1.13311121
+N      3.22083371      2.06441006     -0.77088786
+H      0.44941456     -1.05258979      0.73599166
+H      0.93713359      1.18912141      0.76272699
+H      1.09123756      0.59550597     -0.92025300
+H      3.07597698      1.35221112      2.20616210
+H      4.65312998      1.27319733      1.37844486
+H      3.05227839     -1.02611719      1.69870923
+H      3.31683446      0.28590653     -2.02050595
+H      4.83778116      0.55037908     -1.00953588
+H      3.96196039      2.63701726     -0.35144294 
+
+12
+-1272.9245867018624 9.135304 9.47368 -9.6812 -7.5749 -10.754 0.1481 -1.8101 -0.764 10.41924 1.21364 3.6386667364 5.9591887124 0.126814163
+O      1.83549951     -0.43258965     -1.19381116
+C      2.08615675      0.17904369     -0.17687371
+C      3.16712703      1.24716726     -0.05930936
+C      3.86810164      1.26236674      1.30531622
+O      3.75663682      2.64465648      1.80228160
+N      2.89736959      3.35336447      0.97413848
+C      2.55093658      2.63493647     -0.03286379
+H      1.50588057      0.01127229      0.76831540
+H      3.84360292      1.14166316     -0.92204764
+H      4.93431004      1.01082437      1.25956994
+H      3.36334916      0.60882511      2.03636494
+H      1.89224940      3.04904961     -0.79406093 
+
+14
+-1405.5441518283492 9.472434 10.12259 -9.148 -7.1071 -10.318 1.0179 -0.4883 0.487 9.90483 0.10654 5.435856205 6.2571518676 0.141225948
+O      2.32349457     -0.31429992     -1.52438356
+C      2.33961580      0.07279558     -0.14734144
+C      3.34929551      1.21764852      0.00131118
+C      3.47074015      1.75887546      1.43236589
+O      2.82187102      3.07519911      1.41841725
+N      2.58448426      3.44780613      0.08537684
+C      2.88969006      2.47515312     -0.69663946
+H      1.65051451     -1.00589210     -1.63874815
+H      2.65283230     -0.76849969      0.49934379
+H      1.34311908      0.41575177      0.18780753
+H      4.31557202      0.86927051     -0.39542536
+H      4.51799173      1.90381685      1.73803273
+H      2.95232665      1.14530572      2.18352500
+H      2.74669235      2.58865892     -1.76982224 
+
+12
+-1310.216313581786 10.747489 11.34625 -9.8154 -7.7137 -9.988 0.1079 -1.7331 -0.381 10.13902 1.02151 3.6652865306 10.6847291234 0.396152692
+O      1.27903761      0.38045413     -1.00104617
+C      2.05717981      0.27280247     -0.06302900
+C      3.26580699      1.12610208      0.08355414
+N      3.70350617      1.92031393     -1.06979203
+C      3.01455798      2.63171078      0.01742728
+C      3.77348520      3.52851222      0.84044442
+C      4.38196993      4.29442176      1.55917079
+H      1.89580541     -0.48456934      0.74074551
+H      4.05407615      0.77943192      0.75544640
+H      3.00916226      1.75488816     -1.81470931
+H      1.96803536      2.90809323     -0.14900418
+H      4.93171712      4.97078865      2.18153213 
+
+16
+-1598.9084416682283 11.548145 12.49486 -8.9203 -6.7998 -9.291 0.8081 -0.273 1.27 8.79393 -0.70237 6.4663782426 6.4663782426 0.526407804
+O      1.19227446      0.66230889     -0.94030456
+C      2.25570451     -0.00123414     -0.24448330
+C      3.35089080      0.99733973      0.05627659
+N      3.71017691      2.03870597     -0.91278806
+C      3.02940034      2.42628517      0.36533714
+C      3.83084446      3.20406979      1.32897232
+C      3.32227594      4.08282635      2.20311580
+H      0.55842849     -0.01024927     -1.23518857
+H      2.67546665     -0.81520879     -0.86514978
+H      1.89753513     -0.44427790      0.70380194
+H      4.21018622      0.54704173      0.56624370
+H      2.99195193      2.04149870     -1.64814300
+H      1.97025751      2.69087939      0.29305264
+H      4.91032506      3.02035473      1.29761535
+H      2.25042326      4.29134768      2.24234091
+H      3.95986833      4.62259196      2.90375088 
+
+14
+-1438.5471946530406 11.059313 12.31292 -9.5057 -7.3358 -9.689 0.7655 -0.31 2.115 9.30798 -1.71235 4.3599800886 10.5865198128 0.528182401
+O      2.81605027     -0.93548846     -0.78434094
+C      2.34679256      0.08543220      0.10649055
+C      3.37202054      1.18560052      0.14301351
+N      3.48626109      2.15374461     -0.95715337
+C      2.90661399      2.59898581      0.34274771
+C      3.65660943      3.54353373      1.12501561
+C      4.26226425      4.33794249      1.81506156
+H      2.22703932     -1.70379834     -0.69833268
+H      2.20551273     -0.31284739      1.12870897
+H      1.37529865      0.49580073     -0.23593716
+H      4.33848414      0.90948727      0.57438025
+H      2.72019321      2.00292269     -1.62491854
+H      1.82077254      2.73776330      0.38442881
+H      4.80797729      5.04052083      2.41080572 
+
+11
+-1218.409291012275 9.411541 10.13687 -10.7284 -8.6042 -11.434 -0.304 -2.2337 -0.736 10.54437 1.34779 3.6470233928 10.7335424116 0.243039989
+O      1.35762868      0.32214458     -1.03645335
+C      2.08706971      0.25162956     -0.05986788
+C      3.26429785      1.15291756      0.12585806
+N      3.73012233      1.92977246     -1.02707508
+C      2.96255969      2.63808265      0.00171104
+C      3.66992663      3.57985239      0.83441185
+N      4.21145149      4.34099202      1.53366358
+H      1.91411811     -0.49905423      0.74595079
+H      4.03196619      0.84694134      0.84011249
+H      3.08413859      1.72697162     -1.80544169
+H      1.92025073      2.89810005     -0.20610981 
+
+13
+-1350.4876671488726 9.731538 10.90591 -10.1408 -7.9816 -11.101 0.5568 -0.6108 1.327 10.79341 -0.94997 5.3373989224 11.5502753894 0.258638622
+O      1.77631264      0.09300622     -0.87711004
+C      2.57667900     -0.05126239      0.30048421
+C      3.41891628      1.19374244      0.46531180
+N      3.96770178      1.89383819     -0.69912409
+C      2.86150246      2.52879536      0.07390039
+C      3.18490535      3.71690101      0.82414027
+N      3.41883393      4.67017414      1.45613921
+H      1.28455936     -0.73153751     -1.01767725
+H      3.25044658     -0.92386139      0.21495604
+H      1.95085054     -0.18685553      1.20161296
+H      4.09528109      1.16490526      1.32468039
+H      3.53928572      1.49456703     -1.54438596
+H      1.86351526      2.52549717     -0.37074793 
+
+16
+-1550.6435717563147 9.977048 11.20566 -9.4443 -7.1995 -10.777 0.7477 -0.3253 2.837 10.23519 -2.56678 8.5006413418 10.5791550444 0.118987199
+O      1.27781003      0.40198742     -0.64074270
+C      2.54094746     -0.01440846     -0.10279371
+C      3.39530956      1.20493827      0.15458441
+N      3.38158472      2.33318862     -0.80451124
+C      2.79593192      2.50196116      0.55356482
+C      3.55383061      3.49778918      1.41636681
+O      4.92898433      3.55428000      1.06015069
+H      0.78525454     -0.39158664     -0.90315705
+H      3.06481013     -0.67998656     -0.81442482
+H      2.40753872     -0.56738692      0.84631068
+H      4.39522436      0.96938599      0.53342944
+H      2.62201356      2.18419560     -1.47777525
+H      1.70503936      2.53814173      0.62012855
+H      3.49416291      3.21089170      2.47891878
+H      3.07586358      4.49269655      1.31061138
+H      4.92710420      3.43705236      0.08354921 
+
+12
+-1287.3868762687996 9.45919 9.97759 -10.0014 -7.8808 -11.234 -0.2192 -2.1638 -0.856 10.50211 1.31399 3.6352943172 7.6270483844 0.176306236
+O      1.42658983      0.26453077     -1.05434550
+C      1.95850903      0.36623419      0.04008245
+C      3.21733774      1.13859762      0.25852220
+N      3.96703725      1.59717107     -0.90557894
+C      3.16321295      2.59471319     -0.19204363
+C      3.93089447      3.58586212      0.61916456
+O      3.47408115      4.64958580      0.99167568
+H      1.53240107     -0.12846049      0.94480188
+H      3.80367833      0.89148144      1.14865676
+H      3.44054617      1.30294682     -1.74151358
+H      2.21529812      2.93923501     -0.61528090
+H      4.97484389      3.26147246      0.86314900 
+
+14
+-1418.1083537917957 9.777642 10.74148 -9.4716 -7.3125 -10.852 0.9985 -0.9132 -0.063 9.94482 0.68527 3.6832273048 11.4067243986 0.13265088
+O      2.05699600      0.17207735     -1.30873508
+C      2.27589518      0.07119910      0.10121495
+C      3.27318429      1.13196444      0.51530126
+N      4.34819943      1.55109811     -0.37430888
+C      3.21872107      2.49562317     -0.11922746
+C      3.55795004      3.67872033      0.71051589
+O      2.89583732      4.70167851      0.75317360
+H      1.43054261     -0.52063440     -1.57121069
+H      2.68853378     -0.92104766      0.36433984
+H      1.33788966      0.21466159      0.66860057
+H      3.56272116      1.06898351      1.57031594
+H      4.18230628      1.13230718     -1.29798749
+H      2.46510165      2.64305499     -0.89632982
+H      4.48808154      3.54956379      1.32411736 
+
+16
+-1549.0229793927879 9.999228 11.02414 -8.8999 -6.763 -10.296 0.7967 -0.2563 2.797 9.5749 -2.54521 8.0558787626 13.5963791516 0.060637373
+O      2.00626385     -0.20896926     -1.30769584
+C      2.22045557      0.16708570      0.06116904
+C      3.38573792      1.14212969      0.09297979
+N      3.16253150      2.44096529     -0.60040966
+C      2.82519476      3.10179878      0.68979985
+C      3.50561270      1.92148184      1.43760263
+O      4.82534785      2.15553082      1.90198105
+H      1.23882594     -0.80361831     -1.34321971
+H      2.46885095     -0.71304413      0.68528762
+H      1.31268001      0.64207942      0.48180304
+H      4.30399200      0.62361617     -0.23355961
+H      2.42618111      2.41743662     -1.30986195
+H      3.29088105      4.08972183      0.83517245
+H      1.74685098      3.18039195      0.91748996
+H      2.95893013      1.50022133      2.29252847
+H      5.33395369      2.52621226      1.15707287 
+
+12
+-1292.1706745219792 9.164493 9.61489 -9.7842 -7.6443 -10.882 0.0711 -1.8384 -0.817 10.49849 1.26574 3.622188997 8.441772789 0.078529482
+O      0.83894154      0.64170144      0.18607527
+C      1.99466639      0.25455123      0.20662749
+C      3.16973010      1.16438344     -0.05989507
+N      2.85105809      2.57591781     -0.35536336
+C      3.32692907      3.04094815      0.98632416
+C      3.88127628      1.64396475      1.25224062
+O      4.59273721      1.12165597      2.06796875
+H      2.25842515     -0.80526569      0.43459513
+H      3.85952924      0.66881279     -0.76653127
+H      1.83534846      2.68063585     -0.45649813
+H      4.07228865      3.85050491      0.95813123
+H      2.53221982      3.30434935      1.70599517 
+
+14
+-1421.692999086672 9.556201 10.42671 -9.3051 -7.1762 -10.574 0.8095 -1.0536 0.199 9.77916 0.55955 3.745431081 12.8943084266 0.12794729
+O      2.25296259     -0.25651302     -1.36446020
+C      2.26231993      0.16295426      0.00587749
+C      3.38400216      1.18150238      0.16181032
+N      3.23186357      2.46876674     -0.58056348
+C      2.88421934      3.23147550      0.65363553
+C      3.26861797      1.99165556      1.47111163
+O      3.41892096      1.74464627      2.64263289
+H      1.50800570     -0.86853263     -1.48783816
+H      2.45531281     -0.68230471      0.69129791
+H      1.29249927      0.61902301      0.28485787
+H      4.35647006      0.69151865     -0.01470060
+H      2.49149034      2.43164202     -1.28413621
+H      3.49293541      4.13346383      0.82539126
+H      1.81936990      3.49364214      0.78887374 
+
+14
+-1487.3728404344379 10.53184 10.97749 -8.8174 -6.6369 -9.225 0.8098 -1.0632 -0.097 8.87823 0.75818 3.627706374 6.1145059746 0.143290947
+O      1.84113181     -0.41542077     -1.17974988
+C      2.04890170      0.25287967     -0.18661625
+C      3.18111123      1.27887331     -0.04795127
+N      3.66383372      1.31983544      1.34198915
+C      3.66064285      2.71377640      1.83810990
+C      2.90571708      3.45813572      0.77474957
+C      2.64687068      2.67435287     -0.27837089
+H      1.41444768      0.17939589      0.73402734
+H      3.95418495      1.01582381     -0.79626478
+H      4.57023244      0.87001457      1.44280470
+H      4.67923050      3.13158774      1.96574448
+H      3.16361283      2.78463534      2.82277517
+H      2.63369321      4.50952293      0.86613670
+H      2.12490933      2.95794707     -1.19104394 
+
+16
+-1618.4197775934285 10.989037 11.6861 -8.5 -6.3162 -8.735 1.0428 -0.0337 1.464 8.36413 -0.84573 5.9275598838 5.9275598838 0.247730756
+O      2.36875381     -0.30649895     -1.52401878
+C      2.33988901      0.11858013     -0.15367005
+C      3.29310246      1.31221658     -0.00730442
+N      3.36597462      1.73166621      1.41186282
+C      3.21832563      3.20251856      1.49865765
+C      2.76599541      3.59475152      0.12030456
+C      2.81617032      2.55260870     -0.71635505
+H      1.73184831     -1.03232693     -1.62708411
+H      2.67468410     -0.68803377      0.52455221
+H      1.32756806      0.43369186      0.15759631
+H      4.27540078      0.99280120     -0.41516729
+H      4.23268193      1.41963764      1.84466258
+H      4.16449676      3.71582529      1.76498188
+H      2.47964053      3.48343698      2.27226704
+H      2.44465482      4.60537928     -0.13219464
+H      2.54876344      2.55126570     -1.77203073 
+
+13
+-1377.3083459558986 10.022964 10.39573 -8.9369 -6.9268 -9.696 -0.2735 -2.1784 -1.342 9.01996 1.73382 3.228099496 6.8325212992 0.21555723
+O      1.06394955      0.01584585      0.27607383
+C      2.26363328      0.06485182      0.05228036
+C      3.02853607      1.33759836      0.02891096
+N      4.28446589      1.36409967     -0.29614111
+C      4.67089744      2.78759816     -0.20657443
+C      3.34410287      3.59044486     -0.11828749
+N      2.42962773      2.53834407      0.35918552
+H      2.87953414     -0.83576712     -0.17164885
+H      5.27860960      2.91507963      0.70650388
+H      5.29966156      3.07278425     -1.06078023
+H      3.03178433      3.97358525     -1.10607588
+H      3.39551440      4.43059254      0.58666480
+H      1.42311315      2.61730267      0.22746864 
+
+15
+-1508.7440871181032 10.205319 11.04765 -8.513 -6.4548 -9.288 0.8637 -0.2394 0.924 8.65163 -0.26621 5.2369454652 5.7230573754 0.119331049
+O      1.74349261     -0.35715008      1.05010040
+C      2.45907701     -0.01479624     -0.14006432
+C      3.02452298      1.38497411     -0.12398546
+N      4.01685540      1.76255567     -0.85561954
+C      4.22286054      3.19321907     -0.54079930
+C      2.96665770      3.63975856      0.25312730
+N      2.47464560      2.33622912      0.73409240
+H      2.37779532     -0.34715795      1.78893385
+H      1.72430159     -0.09230482     -0.95657448
+H      3.27559146     -0.72012136     -0.36453562
+H      5.13725864      3.29025994      0.07047290
+H      4.37745112      3.77763220     -1.45846557
+H      2.22393059      4.12655484     -0.40419606
+H      3.19691184      4.31650340      1.08708139
+H      1.49429761      2.22852355      0.98832211 
+
+11
+-1263.2794205344514 10.180188 9.82766 -9.1889 -7.2891 -8.916 -0.3296 -2.0476 -1.302 8.431 1.80212 3.3410383434 3.7559946882 0.366941089
+O      2.69403467     -1.06669841      0.07196835
+C      2.14006612      0.02867186      0.01055003
+C      2.86948576      1.28881397     -0.00729691
+N      2.34405626      2.51634912     -0.07247450
+C      3.41131215      3.36630402     -0.06238683
+C      4.60577285      2.65571104      0.00981460
+N      4.24277915      1.33951349      0.04393554
+H      1.03335116      0.14250466     -0.03630188
+H      3.28679203      4.44491220     -0.10664739
+H      5.64215209      2.97525184      0.03808717
+H      4.84192776      0.51831620      0.09698181 
+
+13
+-1390.1732629019868 10.098081 10.52708 -8.6522 -6.6804 -8.356 0.8974 -0.2965 0.693 7.93267 -0.00416000000001 4.6769007032 6.8022563166 0.272398916
+O      2.67270106     -0.84326858     -1.03564246
+C      2.38819420     -0.08558664      0.15597353
+C      2.85589856      1.33122494      0.07993813
+N      2.08369642      2.41107256      0.12424332
+C      2.93736896      3.48572800     -0.00602514
+C      4.24192716      3.05819378     -0.13825343
+N      4.17709402      1.68129110     -0.07505793
+H      2.19722268     -0.40994840     -1.76803712
+H      2.89977278     -0.63132767      0.96357592
+H      1.31151138     -0.06322305      0.38754624
+H      2.56975470      4.50801887      0.00152495
+H      5.17938831      3.58838099     -0.26586327
+H      4.95306978      1.03507410     -0.18579274 
+
+12
+-1310.4549705732704 9.333381 10.01545 -9.2752 -7.1734 -8.728 0.9103 -0.6628 0.235 8.3222 0.40635 4.5162644416 7.4118086884 0.227894832
+O      2.50393951     -0.49593350     -1.34721305
+C      2.36985903      0.03088503     -0.01840425
+C      2.81553927      1.45094642     -0.00864541
+N      2.09339771      2.52062781      0.18638909
+C      2.99785746      3.57388584      0.11293202
+C      4.24316233      3.07886029     -0.12837372
+O      4.15112399      1.71075093     -0.20453653
+H      2.32382285     -1.45045851     -1.30200753
+H      2.98259022     -0.54655175      0.69750363
+H      1.32274730      0.02569595      0.32525834
+H      2.68909581      4.60729814      0.23579153
+H      5.22859452      3.50776336     -0.26723413 
+
+10
+-1179.9301781932934 9.347881 9.25673 -9.8388 -7.8644 -9.353 -0.6981 -2.5095 -1.698 8.92122 2.14252 3.1940529404 3.7075657566 0.297632793
+O      2.69751144     -1.07827161      0.05566701
+C      2.16404499      0.01802267      0.00890986
+C      2.88373404      1.29848448     -0.00305790
+N      2.33828234      2.49313410     -0.05336023
+C      3.40571455      3.36431872     -0.04272779
+C      4.56971233      2.64361471      0.01472262
+O      4.25627227      1.31811267      0.04066272
+H      1.05903058      0.15963517     -0.03110895
+H      3.27643359      4.44176844     -0.07630931
+H      5.62404388      2.89516065      0.04189197 
+
+13
+-1365.0560433338192 10.694591 10.39533 -8.6441 -6.7604 -9.258 -0.0893 -1.8484 -1.405 8.71966 1.84991 3.223326035 3.9856911518 0.289480029
+O      1.08835246     -0.15902407      0.13891886
+C      2.30136901      0.01194382      0.01912291
+C      2.93404762      1.31835788      0.03049620
+N      4.23544223      1.42172503     -0.09550140
+N      4.57999936      2.72238343      0.01131688
+C      3.40472201      3.61493508     -0.13937331
+C      2.25640531      2.65802475      0.23299661
+H      3.01075895     -0.83920681     -0.11828988
+H      5.46946071      2.95314374     -0.42620121
+H      3.32163005      3.96627526     -1.18294544
+H      3.49199105      4.48513968      0.52296899
+H      1.35949819      2.77675149     -0.38613811
+H      1.94895305      2.76795073      1.28556890 
+
+11
+-1221.7561542598498 9.595703 9.59498 -10.1567 -8.0719 -10.349 -1.1167 -2.9566 -1.649 10.01347 2.04238 3.1930982482 4.6222848702 0.307906237
+O      2.50429739     -1.09553760      0.10199449
+C      2.07146151      0.04459389      0.01240954
+C      2.93905567      1.23770555     -0.00907459
+N      2.41844212      2.43007570     -0.10610410
+N      3.47761036      3.39552317     -0.10364483
+C      4.60315402      2.75345857     -0.00516924
+C      4.42877950      1.27679452      0.07018402
+H      0.98316899      0.27266072     -0.06027671
+H      5.54982919      3.29556493      0.01551458
+H      4.91806863      0.73349763     -0.75485173
+H      4.82184261      0.83458292      1.00036856 
+
+15
+-1491.6122115646876 10.517995 11.04598 -8.3099 -6.3505 -9.015 1.329 -0.2701 0.663 8.54315 -0.01392 5.1314953722 5.2044859304 0.135224617
+O      2.08373765     -0.55770151      1.16274522
+C      2.31524677      0.00388773     -0.14725217
+C      2.81583331      1.40912755     -0.07991301
+N      4.04714727      1.69933190     -0.36490699
+N      4.28190228      3.03406777     -0.05088594
+C      2.97991043      3.74173460      0.04157965
+C      2.04776299      2.59827566      0.46888497
+H      2.94384726     -0.55916893      1.62075026
+H      1.33515344     -0.03976519     -0.64610749
+H      3.03053195     -0.60313694     -0.72677537
+H      4.96160728      3.43192485     -0.69890342
+H      2.67512983      4.14624299     -0.94197034
+H      3.03548883      4.56537955      0.76471953
+H      1.02958718      2.68509436      0.06699552
+H      1.96596353      2.51828563      1.56659957 
+
+13
+-1353.0762138274144 9.774547 10.24651 -9.9909 -7.9789 -9.818 0.1982 -1.5851 0.06 9.4657 0.52405 4.8876645046 9.659687267 0.277150592
+O      2.60603755     -0.82541412     -1.03328595
+C      2.33428934     -0.08728152      0.16971394
+C      2.90048764      1.29975404      0.10618555
+N      2.13814018      2.35069792      0.10566946
+N      2.96999018      3.52831946     -0.01674489
+C      4.20275542      3.14137412     -0.09250681
+C      4.35023716      1.65875922     -0.02181061
+H      2.08719691     -0.41078952     -1.74620216
+H      2.80897197     -0.66310400      0.97833287
+H      1.25510525     -0.01751817      0.37909095
+H      5.01102549      3.86732878     -0.19650733
+H      4.82314248      1.21850521     -0.91470762
+H      4.94931043      1.32775858      0.84336261 
+
+12
+-1280.1904676048778 9.573237 9.67743 -9.6502 -7.7001 -10.663 -0.4082 -2.2938 -1.702 10.36694 2.06886 3.1709047542 12.230103026 0.378279507
+O      1.10549527     -0.16155984      0.38261233
+C      2.29088236     -0.00523732      0.11137807
+C      2.90790691      1.31570678     -0.02244711
+N      4.17350994      1.39778987     -0.30551565
+O      4.56371514      2.70465549     -0.38598867
+C      3.39264752      3.59463950     -0.14748785
+C      2.22542398      2.64901164      0.14584284
+H      2.98678626     -0.86000505     -0.05336207
+H      3.26505442      4.19217918     -1.05949354
+H      3.66496855      4.24898323      0.69000731
+H      1.38591063      2.75309348     -0.55509505
+H      1.81828902      2.75181304      1.16158940 
+
+14
+-1409.5667937184542 9.65455 10.32892 -9.1199 -7.0902 -10.216 1.1876 -0.5003 0.416 9.73666 0.23361 5.4154853052 12.5041616804 0.15945215
+O      2.08781282     -0.49836625      1.25879396
+C      2.28073497     -0.02846355     -0.08682241
+C      2.76757211      1.38726950     -0.12306438
+N      3.95014957      1.65814105     -0.55994297
+O      4.20785186      3.02675031     -0.44881070
+C      2.97859654      3.70909761     -0.00411102
+C      2.02427823      2.58867393      0.41416291
+H      2.96655644     -0.53051937      1.67840044
+H      1.29071786     -0.10635919     -0.56127396
+H      2.98558050     -0.66234350     -0.64855247
+H      2.59952059      4.29288752     -0.85722409
+H      3.26222847      4.39002979      0.80856212
+H      1.02308524      2.68509732     -0.02972595
+H      1.89350478      2.49971483      1.50380851 
+
+16
+-1552.4399727935413 9.984911 10.90154 -9.1941 -7.0008 -10.625 0.746 -0.2894 2.644 9.91542 -2.3442 8.2252436386 13.5312865016 0.086077451
+O      1.54251309     -0.44304925     -1.01592155
+C      2.08162125      0.09823942      0.18732476
+C      3.10196306      1.19736969     -0.08061119
+O      4.14528262      0.58364231     -0.82972308
+C      2.47983706      2.51555311     -0.61572042
+N      2.43327387      3.00728060      0.78902686
+C      3.46559896      2.01416206      1.19090680
+H      2.30968697     -0.70216716     -1.55978144
+H      2.56790474     -0.68636875      0.79911011
+H      1.24101478      0.51621474      0.75838584
+H      4.73744935      1.28164001     -1.15896043
+H      1.50752040      2.44997307     -1.12625020
+H      3.20064663      3.05244828     -1.26435601
+H      2.70158180      3.98481744      0.91386127
+H      4.51019684      2.37660747      1.13207762
+H      3.30219857      1.54281695      2.17393106 
+
+18
+-1742.1602838048484 11.201101 12.52497 -8.7127 -6.5355 -10.2 0.9186 -0.0863 3.106 9.49171 -2.82456 8.3945589202 10.392010576 0.091792876
+O      2.37939688      0.92204853     -1.67385445
+C      2.26240662      1.73363186     -0.49204940
+C      3.13184071      1.12670504      0.59933621
+C      4.62170137      1.16729704      0.28840555
+C      5.37739475      2.52271566      0.33591568
+C      6.49963752      1.74631867      1.06310787
+N      5.50787624      0.68380696      1.39256261
+H      1.83585004      1.32557200     -2.37024969
+H      1.21214237      1.77159582     -0.14911621
+H      2.58579486      2.77182748     -0.70085710
+H      2.81998376      0.08088759      0.75935537
+H      2.95332139      1.66432507      1.54480454
+H      4.81453577      0.65673770     -0.67332449
+H      4.87870162      3.24491030      0.99848857
+H      5.62608836      3.00381527     -0.61731720
+H      7.29118763      1.42490495      0.36115800
+H      6.96992619      2.21853231      1.93933598
+H      5.85173393     -0.27246224      1.27267816 
+
+16
+-1611.656683788457 10.655403 11.76394 -8.981 -6.8014 -10.414 1.2179 -0.8284 -0.056 10.11195 0.68497 3.6725645088 11.1052152438 0.085197434
+O      2.96723566      2.72321681     -1.49952308
+C      2.35027284      2.07789192     -0.67019840
+C      2.94836904      1.04426810      0.24751305
+C      4.45168261      0.85957447      0.12570222
+C      5.40358572      1.95097432      0.67762910
+C      6.23597865      0.78190927      1.25340072
+N      5.03902543     -0.09793148      1.10912772
+H      1.24541227      2.22752388     -0.54242261
+H      2.41702895      0.09327453      0.05083495
+H      2.67221794      1.30394778      1.28619480
+H      4.71180806      0.62724191     -0.92406785
+H      4.92796223      2.55064115      1.46634601
+H      5.87785485      2.61396729     -0.05352240
+H      7.07659266      0.51156773      0.58891791
+H      6.60954890      0.87267891      2.28450464
+H      5.23488420     -1.02951659      0.73372323 
+
+18
+-1737.9143078070663 11.145284 12.3663 -8.4663 -6.2645 -10.055 0.8634 -0.1342 2.993 9.43166 -2.71334 8.295407316 10.7205362802 0.133979449
+O      2.68029207      3.53662948     -0.48108924
+C      2.23677785      2.17374421     -0.58235577
+C      3.03785479      1.32502382      0.39519184
+C      4.53527874      1.28305721      0.11273714
+C      5.43214641      2.48603788      0.50786109
+N      6.41353957      1.57941880      1.19989594
+C      5.44071855      0.44392307      1.05189110
+H      2.15195800      4.07029701     -1.09664983
+H      2.38413306      1.79340561     -1.61248855
+H      1.15927824      2.09602579     -0.34498676
+H      2.63002327      0.29998650      0.35640220
+H      2.86545013      1.69740362      1.41987779
+H      4.70686714      1.00152290     -0.94041150
+H      4.94935066      3.16438031      1.22875059
+H      5.84076311      3.09124672     -0.31371666
+H      7.21864295      1.41790881      0.58942929
+H      5.85730113     -0.48799608      0.64068043
+H      4.96523432      0.21331435      2.02112088 
+
+16
+-1609.6432873657282 10.608191 11.61313 -8.9565 -6.7438 -10.383 1.2366 -0.8053 -0.033 10.09724 0.66494 3.675626963 8.1001417646 0.122858692
+O      2.75653405      2.79897527     -1.36339496
+C      2.28541342      2.23950125     -0.38910627
+C      2.97252153      1.16168798      0.40960736
+C      4.37995629      0.81684396     -0.05382696
+C      5.45999188      1.84255310      0.38694726
+N      5.74953738      0.98116215      1.56722107
+C      5.12023706     -0.17845104      0.88008161
+H      1.25901883      2.50670949     -0.02194872
+H      2.30807831      0.27629120      0.38051630
+H      2.97128820      1.47722365      1.46983041
+H      4.37984564      0.56773303     -1.12233112
+H      5.12273542      2.86165563      0.63246604
+H      6.28118833      1.90600151     -0.34937955
+H      6.73979411      0.86854415      1.79333113
+H      5.82479743     -0.81687997      0.31513828
+H      4.50528212     -0.81901137      1.53419812 
+
+18
+-1739.8038877099498 11.181201 12.6169 -9.3661 -7.195 -10.969 0.8587 -0.1471 3.089 10.30297 -2.81621 8.8903293398 11.643153302 0.23581032
+O      3.94638293      1.33876402      2.35995811
+C      3.38619800      2.58295821      1.90485844
+C      3.07480831      2.46026681      0.41962001
+C      4.29101726      2.16616945     -0.47236835
+C      5.30259625      3.28899347     -0.51262980
+C      6.07269710      3.60915350     -1.74438680
+N      4.93387824      4.46646906     -1.33697894
+H      4.11382200      1.41632825      3.31345416
+H      4.09385173      3.41490646      2.08571358
+H      2.45510583      2.81468467      2.45438628
+H      2.60338317      3.39929555      0.08600123
+H      2.32871267      1.65994734      0.28965198
+H      3.93751957      1.98528666     -1.49953674
+H      4.78571481      1.24360087     -0.12949757
+H      5.82401270      3.49082625      0.43000840
+H      5.89668216      3.02610223     -2.65252461
+H      7.09006429      3.99354660     -1.63488667
+H      5.29315299      5.32267060     -0.90345267 
+
+16
+-1610.535331310451 10.637083 11.837 -9.5435 -7.375 -11.006 1.2321 -0.8167 -0.061 10.1282 0.68697 3.6846283466 11.3281544704 0.135796474
+O      4.54235953      0.54776283      1.92555027
+C      3.43129910      1.01298956      1.73977749
+C      3.01150018      1.82126674      0.53963536
+C      4.10390820      2.09008423     -0.49649646
+C      5.15117033      3.06530860     -0.00329771
+C      5.76539599      4.07080149     -0.90948858
+N      4.71864756      4.48344346      0.05554120
+H      2.61603232      0.84724553      2.49341708
+H      2.58736080      2.77255579      0.91191557
+H      2.14957577      1.28972923      0.09512279
+H      3.63661496      2.50483368     -1.40242594
+H      4.59302963      1.14368830     -0.77694172
+H      5.77880515      2.69631627      0.81331076
+H      5.45386542      4.10891938     -1.95670210
+H      6.80076153      4.36846904     -0.72620475
+H      5.16160353      4.94601587      0.85559674 
+
+12
+-1308.038723154344 10.558324 11.34195 -9.7113 -7.6968 -10.74 -0.3389 -2.0973 -0.669 9.62681 1.28247 3.5156354286 10.1952075982 0.198033976
+O      1.19383374      0.29847656     -1.07732317
+C      1.78244581      0.52920954     -0.02744254
+C      1.48519232     -0.20594314      1.19066305
+C      1.23125332     -0.81190706      2.21394638
+C      2.87514374      1.55397644      0.09469219
+C      3.74679859      1.81508671     -1.09984658
+N      2.70779001      2.77644411     -0.73598782
+H      0.99052747     -1.35508271      3.10600059
+H      3.32542127      1.65235257      1.08540374
+H      3.52555833      1.24571382     -2.00534603
+H      4.79786807      2.04517793     -0.90947852
+H      3.12316734      3.56381522     -0.22622129 
+
+14
+-1471.8724691239463 11.873121 12.13931 -9.3941 -7.3974 -9.986 -0.1467 -1.846 -0.868 9.4645 1.44783 3.4349205426 5.2040519794 0.664626576
+O      1.27219981     -0.74316511     -0.53142795
+C      2.34660962     -0.33092346     -0.11123852
+C      2.84655134      1.03244197     -0.29702332
+C      4.04357391      1.40422828      0.20404627
+C      4.62854662      2.74414752      0.09454487
+C      5.33789194      3.36964299      1.26498161
+N      6.11771385      2.81326582      0.15735611
+H      3.03687080     -1.00430360      0.46257116
+H      2.20833010      1.72373511     -0.85517014
+H      4.64818742      0.66669570      0.74652224
+H      4.11196499      3.44001223     -0.57354079
+H      5.40803650      2.81229560      2.20169815
+H      5.23998664      4.45288877      1.37334021
+H      6.43901645      3.56504818     -0.46093990 
+
+12
+-1308.4469295547904 11.370434 12.21167 -9.8439 -7.8428 -10.178 -0.2409 -2.0483 -0.744 9.72515 1.33619 3.5095849118 10.9433639194 0.327904949
+O      0.91405143      0.06563308     -0.47469499
+C      2.05880408      0.09662210     -0.03835048
+C      2.89734567      1.26160199     -0.03358402
+C      3.64737002      2.22566836     -0.00080944
+C      4.53717050      3.34485610      0.00181060
+C      4.66002813      4.23470988     -1.20760019
+N      3.92318170      4.70694486     -0.03472114
+H      2.53919394     -0.81215115      0.39846497
+H      5.44863851      3.21529478      0.59263110
+H      4.03846565      4.01122949     -2.07610116
+H      5.65659300      4.62884875     -1.42207373
+H      4.51395735      5.33451177      0.52173848 
+
+16
+-1599.352685736688 11.025131 11.90643 -9.3779 -7.2041 -9.51 0.8019 -0.1808 1.341 8.98527 -0.77039 6.6606271088 6.6606271088 0.455720501
+O      2.01756425     -0.33988553      0.85536024
+C      2.93764004     -0.13066241     -0.20225333
+C      2.32311098     -0.45314125     -1.53611466
+C      1.06260433     -0.85798514     -1.71673859
+C      3.46647802      1.31020098     -0.16840591
+C      2.56385985      2.45615413      0.10316599
+N      3.42942852      1.91369605      1.18014023
+H      2.34137674      0.24926943      1.57467090
+H      3.82246470     -0.79430896     -0.06947012
+H      2.99844753     -0.34512282     -2.39186684
+H      0.39103122     -0.98089027     -0.86639292
+H      0.67968607     -1.08094465     -2.71309026
+H      4.34518997      1.49801413     -0.79292556
+H      1.49817519      2.26792339      0.24759765
+H      2.81978630      3.42446018     -0.33201865
+H      4.24143628      2.51425275      1.34354182 
+
+14
+-1436.9095196944158 10.74113 11.92809 -9.7445 -7.512 -9.817 0.9072 -0.2485 2.212 9.42059 -1.8338 4.4013542168 10.3275750518 0.306428522
+O      1.12769400      0.24009343     -0.00506392
+C      2.53900797     -0.03380474     -0.08097025
+C      2.78748250     -0.81228686     -1.29306553
+C      3.03838872     -1.43814003     -2.30078482
+C      3.35033666      1.25666471     -0.07971136
+C      3.69061459      1.93364744      1.20433154
+N      4.71182218      1.15981731      0.46747984
+H      0.99574394      0.78571935      0.79150892
+H      2.87226595     -0.63558820      0.78811540
+H      3.24978533     -2.00534368     -3.18417186
+H      3.17575889      1.89279801     -0.95279785
+H      3.39079322      1.48570981      2.15639213
+H      3.74074243      3.02525085      1.20427872
+H      5.33823363      1.78943261     -0.04232093 
+
+16
+-1597.3832810096708 11.828467 12.90449 -9.0377 -6.9374 -9.125 1.0881 -0.2761 1.216 8.61554 -0.58808 6.2349583736 6.2349583736 0.484194237
+O      1.70114941     -0.80639385      0.32096121
+C      2.92241109     -0.39020662     -0.32220020
+C      3.05854350      1.09137679     -0.18231713
+C      4.11591963      1.69850138      0.37559953
+C      4.27389350      3.15988891      0.49871256
+C      4.90405550      3.77839884      1.70849662
+N      5.67184504      3.67839913      0.45674995
+H      1.53551722     -1.73031222      0.06625754
+H      2.89052423     -0.65546425     -1.39730034
+H      3.80035478     -0.89308645      0.12432416
+H      2.22903881      1.68723158     -0.57948234
+H      4.94161758      1.09950673      0.77680090
+H      3.49936358      3.75871333      0.00802803
+H      5.25827318      3.12987908      2.51361166
+H      4.52164548      4.75047628      2.03110581
+H      5.67785748      4.58511133     -0.02115798 
+
+16
+-1596.6746212058515 11.183222 12.12231 -9.1048 -6.9652 -9.198 0.9819 -0.291 1.325 8.5962 -0.68517 6.3448843612 6.3448843612 0.410322519
+O      2.39914289     -0.48472657      1.52577557
+C      2.21481088     -0.06166398      0.15995234
+C      2.83733644      1.29822617     -0.02134305
+C      2.13396951      2.34532408     -0.47397471
+C      4.29499108      1.38189141      0.29202686
+C      5.32994583      1.41440949     -0.79182884
+N      4.99625895      2.63772295     -0.03521875
+H      2.13157523     -1.41705960      1.58424983
+H      1.14268183     -0.01457419     -0.09996135
+H      2.70478713     -0.77992145     -0.52681086
+H      1.07109447      2.25351634     -0.70352962
+H      2.62032938      3.30957922     -0.62775370
+H      4.58640892      0.85455036      1.20563479
+H      4.99770470      1.42665787     -1.83288893
+H      6.28547369      0.91556795     -0.60838601
+H      5.71661909      2.81615995      0.67060643 
+
+14
+-1438.988437634494 11.462143 13.07891 -9.2885 -7.1493 -9.324 0.8737 -0.3297 2.252 8.90353 -1.76048 4.1828040946 9.3777679002 0.354155647
+O      1.43203195     -0.31548046      0.90889894
+C      2.24656406      0.03247473     -0.22577759
+C      2.74052408      1.39281884     -0.08470433
+C      3.15797046      2.53254144     -0.00734055
+C      3.68203849      3.86315728      0.12387018
+C      4.20860429      4.62822020     -1.05384876
+N      2.90039995      4.98203816     -0.48318086
+H      1.12024287     -1.22631596      0.76579961
+H      1.66552153     -0.03797364     -1.16548409
+H      3.10782140     -0.65752607     -0.31738585
+H      4.17975638      4.06485610      1.07775092
+H      4.16041817      4.16238572     -2.03990249
+H      5.07006628      5.27852692     -0.88116339
+H      2.99720008      5.80568674      0.12037826 
+
+10
+-1188.4166618152244 9.661176 10.45735 -10.6871 -8.4242 -10.579 -0.9398 -2.9343 -1.486 10.48936 1.96802 3.3742665914 10.882375206 0.602392725
+O      2.54207329      1.03902316      0.63851528
+C      2.37776275      0.09397028     -0.10608893
+C      3.01357905     -1.28116626      0.10521000
+C      2.06081631     -2.37077489     -0.03391791
+C      1.23399395     -3.24950809     -0.15080160
+C      1.55188000      0.24011773     -1.32033839
+N      0.93525190      0.40656245     -2.29765350
+H      3.48441451     -1.26920233      1.09873792
+H      3.81939685     -1.38203473     -0.64468876
+H      0.50929140     -4.03175734     -0.25254412 
+
+12
+-1354.829602364224 10.752663 11.49794 -10.0214 -7.9461 -10.627 -0.6057 -2.4078 -1.223 9.84955 1.74898 3.3878306598 5.4556567692 0.599314976
+O      1.45896033     -1.10468058      0.19936926
+C      2.54437637     -0.57615393      0.01211314
+C      2.77397341      0.87694378      0.07187359
+C      4.00019255      1.38882159     -0.12531485
+C      4.33313817      2.85620354     -0.04474158
+C      5.08326577      3.32523732     -1.21067540
+N      5.68293667      3.68931857     -2.14178090
+H      3.45479797     -1.18610269     -0.22287159
+H      1.90427865      1.50488995      0.28546257
+H      4.83514846      0.71470252     -0.34494660
+H      4.95492811      3.04460240      0.84847879
+H      3.42154353      3.46234753      0.06366358 
+
+10
+-1184.1007279697196 9.648458 10.60802 -10.5686 -8.3581 -10.543 0.1353 -1.9163 -0.698 10.62298 1.34442 3.6393734566 10.3880058282 0.123676956
+O      1.19581060     -0.32559238      0.52577521
+C      2.19906527     -0.06994435     -0.08604865
+C      2.96088071      1.29925494      0.02223992
+C      2.53172282      2.12812185      1.13832226
+C      2.15274507      2.80169927      2.06952850
+C      4.40565993      1.04094928      0.01016281
+N      5.54038598      0.77517028     -0.02265565
+H      2.67151570     -0.76880337     -0.81556228
+H      2.72047326      1.80690475     -0.93493006
+H      1.81849065      3.39799973      2.89423793 
+
+10
+-1190.9257880772177 10.241492 11.5724 -10.434 -8.388 -10.723 -0.6215 -2.5236 -1.04 10.10621 1.61894 3.4896107672 10.4604260508 0.581650805
+O      0.92795051     -0.03617436      0.00000003
+C      2.14816628      0.02582929     -0.00000004
+C      2.89316471      1.26197552     -0.00000002
+C      3.56713189      2.27583960     -0.00000001
+C      4.37456906      3.48932594      0.00000000
+C      3.58744931      4.72808540      0.00000000
+N      2.98835038      5.72686888      0.00000000
+H      2.78387084     -0.89123260      0.00000003
+H      5.03720852      3.49501617     -0.88236258
+H      5.03720851      3.49501617      0.88236259 
+
+12
+-1353.636997296403 10.759072 11.43497 -10.1719 -7.9891 -9.938 -0.1076 -1.8389 -0.488 10.45266 1.1456 3.6516108748 6.4854100936 0.294412647
+O      1.80472108     -1.11934569     -0.64780292
+C      1.70044159      0.01558002     -0.23024430
+C      2.86603596      0.91695810      0.14628907
+C      4.20465234      0.26059722      0.09363954
+C      5.14201430      0.40003834      1.04956042
+C      6.42189066     -0.21880258      0.97992124
+N      7.48493964     -0.70682368      0.95506525
+H      0.69790008      0.49972269     -0.10905224
+H      2.65703403      1.36992405      1.12980038
+H      2.82110022      1.75994903     -0.57318736
+H      4.41035413     -0.36928496     -0.77484460
+H      4.95774596      1.00951746      1.93912554 
+
+10
+-1196.6236793106095 10.96765 11.69071 -10.3808 -8.2409 -10.375 -0.1123 -2.0406 -0.713 9.96231 1.31134 3.5802445332 10.6506577706 0.626705426
+O      1.17667798     -0.24602246      0.60171466
+C      2.20261913     -0.05161675     -0.00774386
+C      3.00676809      1.25761095      0.11958021
+C      4.43462986      1.05431403      0.03722534
+C      5.62893137      0.81318875     -0.03180612
+C      6.96829347      0.56942637     -0.11438385
+N      8.12114180      0.35733443     -0.18774118
+H      2.62695218     -0.79770643     -0.72112278
+H      2.71506823      1.75759889      1.05537236
+H      2.67376788      1.90656222     -0.71198476 
+
+14
+-1498.3512172317312 9.986285 11.07272 -10.1155 -7.8886 -11.24 0.8483 -1.2164 -0.305 10.37057 0.92482 3.6780198928 12.0386190476 0.165265186
+O      3.22237955      3.75437829     -1.59295064
+C      2.52625272      3.21452462     -0.75087175
+C      2.93413512      2.01241432      0.06474301
+C      4.34892721      1.50119324     -0.19920401
+C      5.45530137      2.45594938      0.29946726
+C      5.38312646      2.69490971      1.73814915
+N      5.28950137      2.87288618      2.88759468
+H      1.49551040      3.59687521     -0.53578800
+H      2.18495038      1.22662500     -0.14179564
+H      2.78092426      2.26352053      1.13069419
+H      4.49351998      1.36623956     -1.28079940
+H      4.47697204      0.51946063      0.27821528
+H      5.38121525      3.42178899     -0.22224847
+H      6.44661389      2.03823434      0.06712435 
+
+14
+-1481.0175364160737 10.796123 11.87829 -10.1357 -7.9069 -9.858 0.9458 -0.6657 0.991 9.31598 -0.45 5.3925726924 6.6809112184 0.490264062
+O      0.98186777      0.34260921     -0.18899537
+C      2.32626723      0.01872763      0.17534716
+C      2.93206789     -0.82906389     -0.95996071
+C      2.22871297     -2.14520551     -1.12299285
+C      2.83073094     -3.33518543     -1.02252665
+C      3.12582588      1.23809745      0.40553960
+N      3.74337932      2.20676231      0.60924228
+H      0.57994927      0.85347020      0.53545394
+H      2.35105612     -0.56944165      1.11249711
+H      4.00048483     -0.98405594     -0.75016730
+H      2.85441925     -0.23146548     -1.88326532
+H      1.15786914     -2.09380777     -1.34031161
+H      3.89960345     -3.42180309     -0.80976951
+H      2.27696595     -4.26507804     -1.15866076 
+
+12
+-1323.5056369405331 10.084768 11.21071 -10.5963 -8.2018 -10.241 0.9334 -0.5519 1.072 9.84165 -0.72542 4.387988526 10.9035644134 0.318988554
+O      0.98807326      0.03141729     -0.02261638
+C      2.41504920      0.05402487      0.01932258
+C      2.89941419     -0.69092799     -1.24390472
+C      4.33954769     -0.89209091     -1.26737599
+C      5.54117753     -1.05432298     -1.26492506
+C      2.92698527      1.43642338      0.07379913
+N      3.27987108      2.54533364      0.15215343
+H      0.64835713      0.55869382      0.72211617
+H      2.80125514     -0.47473895      0.91032425
+H      2.56690421     -0.12921890     -2.13043685
+H      2.37435149     -1.65869973     -1.25514198
+H      6.60335381     -1.19124354     -1.27140459 
+
+14
+-1483.2605593496698 10.92041 12.24085 -10.1968 -7.9219 -9.72 0.8309 -0.7151 0.7 9.186 -0.15989 5.3603115352 6.3565390452 0.43149359
+O      3.25916700     -1.50178062      0.63498576
+C      2.93112122     -0.50335225     -0.34550953
+C      3.03080070      0.84195454      0.30121421
+C      3.77201882      1.84707718     -0.17492232
+C      3.85503053      3.21015254      0.47141696
+C      3.45786094      4.28837584     -0.43626934
+N      3.14727352      5.14063319     -1.16948744
+H      3.01231861     -2.36879612      0.27063185
+H      1.89603400     -0.64828074     -0.71071781
+H      3.60802185     -0.55677918     -1.21782353
+H      2.43886103      0.97475609      1.21362854
+H      4.36836391      1.70870525     -1.08206996
+H      4.88937779      3.41602590      0.79668678
+H      3.21986008      3.25455837      1.36913582 
+
+14
+-1484.1450330706416 10.574735 11.5277 -10.269 -8.0227 -9.809 0.8257 -0.745 0.725 9.19342 -0.1861 5.359542822 6.4342286728 0.418106275
+O      3.07351498     -0.92488782      0.49937167
+C      2.22692396      0.02622687     -0.16900503
+C      2.77468122      1.40833541      0.06508920
+C      2.03093421      2.39842688      0.57143417
+C      4.23438937      1.61546614     -0.30653327
+C      4.49520281      1.36401938     -1.72451314
+N      4.68480796      1.15647787     -2.85666539
+H      2.92973006     -1.79379243      0.08915659
+H      1.19000083     -0.02845082      0.20563049
+H      2.21196488     -0.17117503     -1.25720941
+H      0.99715591      2.22499920      0.87491037
+H      2.42366788      3.40921171      0.69396471
+H      4.85711411      0.91721190      0.27626318
+H      4.55382181      2.63874073     -0.06313415 
+
+14
+-1480.3419150951192 10.657222 11.71216 -10.3036 -8.0859 -9.92 1.1073 -0.5525 0.722 9.37573 -0.28165 5.3468094598 6.6109211214 0.442537638
+O      1.01035828      0.01863897     -0.25446730
+C      2.42065442     -0.03886879     -0.06155925
+C      2.92246565      1.42091188      0.02963188
+C      2.40978557      2.14130650      1.25938853
+C      1.61918904      3.21479225      1.21551763
+C      4.38962622      1.42100309      0.00520402
+N      5.55603861      1.40349948     -0.00010781
+H      0.67321756     -0.89222855     -0.28152427
+H      2.92924643     -0.53627505     -0.90592110
+H      2.68916161     -0.57227151      0.86841551
+H      2.57112804      1.94857525     -0.87385707
+H      2.72654239      1.72007154      2.21857569
+H      1.29439066      3.64883678      0.26739179
+H      1.26510551      3.69236815      2.12947177 
+
+12
+-1322.2741223024009 10.103456 11.20817 -10.7142 -8.4561 -10.43 0.9606 -0.3965 0.983 10.01213 -0.65295 4.3706428846 11.0958543008 0.442559029
+O      1.10553626     -0.23768894     -0.29340412
+C      2.49807078     -0.13227355     -0.09007364
+C      2.95904492      1.36622292     -0.04910217
+C      2.29246343      2.07748309      1.04201721
+C      1.67741682      2.60094174      1.94599650
+C      4.42151875      1.44102904      0.05244860
+N      5.58587512      1.44540443      0.10964492
+H      0.66087880      0.15233534      0.48303373
+H      2.98398618     -0.62102679     -0.94451356
+H      2.83086582     -0.62458313      0.83948813
+H      2.66327123      1.82609083     -1.00906465
+H      1.15837188      3.09320503      2.74365907 
+
+12
+-1323.5705140784125 10.481819 12.33299 -10.2 -7.849 -9.777 0.8346 -0.5731 1.22 9.3569 -0.91068 4.2039809034 9.9170946016 0.478876687
+O      0.93908239      0.12864309     -0.01239631
+C      2.37121824      0.05259623      0.00056844
+C      2.93106491      1.39821302     -0.00002250
+C      3.42799229      2.50437517     -0.00026799
+C      4.03702260      3.83260241     -0.00066454
+C      3.05524558      4.92414791      0.00072090
+N      2.30277421      5.81370881      0.00177381
+H      0.60337135     -0.78463227     -0.01090624
+H      2.75160775     -0.49010512     -0.88598501
+H      2.73584802     -0.48287887      0.89805248
+H      4.68361168      3.96037992     -0.88548758
+H      4.68545097      3.95983969      0.88288453 
+
+14
+-1486.6591249309608 11.300729 12.17002 -10.0063 -7.8574 -9.656 0.1899 -1.4813 -0.088 9.162 0.60782 5.021061042 6.4781321154 0.305150975
+O      2.90719295     -1.18566103     -0.68365428
+C      2.29901546     -0.21617031      0.17711683
+C      2.91344327      1.14811754     -0.14780032
+C      4.37663251      1.21377378      0.14912938
+C      4.94765973      2.14890937      0.93349139
+C      6.34428203      2.19086666      1.20476591
+N      7.48681302      2.25131101      1.45150268
+H      2.59523141     -2.06716127     -0.42043178
+H      2.47378356     -0.46220611      1.24031703
+H      1.20764929     -0.16553634      0.00940489
+H      2.36835881      1.93094570      0.40122206
+H      2.75719432      1.32925371     -1.22599133
+H      5.00273099      0.44099018     -0.30472835
+H      4.34777265      2.93428710      1.40302590 
+
+14
+-1485.3415076283077 10.745052 11.53872 -10.0829 -7.9561 -9.789 0.2458 -1.4828 -0.08 9.27073 0.53729 5.0491810668 6.504367553 0.324896094
+O      2.67850253     -0.93298939     -1.23115787
+C      2.37802026     -0.21052520     -0.03315490
+C      3.17561967      1.09229556     -0.05747988
+C      4.67227611      0.88706217      0.04073946
+C      5.54636708      1.20893948     -0.92985819
+C      5.14587376      0.30262197      1.26221726
+N      5.47719908     -0.17236868      2.27869714
+H      2.28757073     -1.81929691     -1.15759402
+H      2.64284291     -0.79568171      0.86604701
+H      1.30166477      0.03511031      0.02373603
+H      2.83801035      1.71677517      0.78529591
+H      2.95163604      1.63442425     -0.98775843
+H      5.19394397      1.64443440     -1.86503793
+H      6.61626275      1.04092858     -0.81311158 
+
+12
+-1331.1615228612068 11.376525 12.49051 -10.5306 -8.3188 -10.046 0.4186 -1.4052 0.106 9.61529 0.2426 3.5969330488 10.5100700452 1.282882207
+O      0.95709502      0.12231294      0.01383953
+C      2.37782044     -0.01419126      0.01596354
+C      2.94448241      1.41379358      0.00011931
+C      4.39141472      1.43985177     -0.00003500
+C      5.61195322      1.43713040      0.00002095
+C      6.97588618      1.43592864      0.00006913
+N      8.15063956      1.43136457      0.00013211
+H      0.56564295     -0.76707664      0.02355664
+H      2.73715957     -0.56203955     -0.87285549
+H      2.73641694     -0.54189573      0.91718636
+H      2.56166397      1.95895829      0.87874189
+H      2.56185502      1.93920299     -0.89053899 
+
+16
+-1628.9852072630858 10.646662 12.09911 -10.6423 -8.1893 -11.793 0.8213 -0.251 1.489 11.33919 -1.09932 5.3755122188 11.8440230206 0.132993247
+O      1.64097423     -0.86907955     -0.79782834
+C      1.60309259      0.04427713      0.31132561
+C      2.67855101      1.09900685      0.09937861
+C      4.09304124      0.51519226      0.07967186
+C      5.18720024      1.57518041     -0.15522324
+C      5.24444599      2.58432616      0.90019112
+N      5.27629508      3.38105822      1.75200656
+H      0.95764599     -1.54441571     -0.65519939
+H      1.78416771     -0.49105479      1.26343861
+H      0.61491554      0.53413643      0.38086537
+H      2.59053589      1.84916167      0.90214719
+H      2.47594603      1.62030593     -0.85175396
+H      4.16969792     -0.23474488     -0.72031741
+H      4.29589708     -0.00504127      1.02978384
+H      5.01945411      2.09379125     -1.11322539
+H      6.17677934      1.09721990     -0.22176106 
+
+14
+-1398.210303918469 12.00658 11.89482 -8.7326 -6.8393 -9.294 0.3386 -1.343 -0.462 8.73679 1.0038 5.1063758086 5.1063758086 0.619906317
+O      2.11643575     -0.96259801      0.74872196
+C      3.15652202     -0.43131567     -0.09129395
+C      3.02207677      1.05453111     -0.13545084
+C      4.03251758      1.91225150      0.11184846
+C      3.89877731      3.34735501      0.01376916
+N      4.92449308      4.09774373      0.25217338
+O      4.58779838      5.45906573      0.10732831
+H      2.09514832     -1.92613365      0.61898533
+H      3.05567829     -0.83234388     -1.11964963
+H      4.15887095     -0.71211059      0.28192080
+H      2.03136566      1.43572880     -0.40519039
+H      5.01984319      1.53778217      0.39904994
+H      2.93067193      3.78931719     -0.26062145
+H      5.43272077      5.89940657      0.31188892 
+
+14
+-1398.3508119464084 11.183547 11.20194 -8.797 -6.9005 -9.393 0.4861 -1.2253 -0.473 8.79334 1.01294 5.1610908304 5.1610908304 0.579893066
+O      1.22987921     -0.20115239      0.06312926
+C      2.62606801      0.08556892     -0.03335767
+C      2.84983240      1.57519732      0.03200574
+C      1.83735496      2.45594542      0.16300012
+C      4.22353571      2.05145924     -0.05171829
+N      5.20054944      1.21741080     -0.17610086
+O      6.43462153      1.90031486     -0.23704412
+H      1.12593323     -1.16469043      0.01642764
+H      3.05236339     -0.29376979     -0.98055546
+H      3.19473837     -0.39269491      0.78559519
+H      0.80668263      2.11252677      0.22689687
+H      2.03226947      3.52817324      0.20733914
+H      4.40891136      3.13367926     -0.00718822
+H      7.06893028      1.16635171     -0.32796935 
+
+14
+-1397.459340405303 10.964966 10.93003 -9.1333 -7.1482 -9.614 0.1208 -1.5261 -0.53 9.05673 1.0726 5.0451267246 5.2949833118 0.579463671
+O      1.28064443     -0.26226001      1.04800055
+C      1.90653449      0.15976637     -0.17316435
+C      2.75503460      1.40212897     -0.01042852
+C      2.16496908      2.70071188      0.30255600
+C      0.86103941      2.89460253      0.57194669
+N      4.02529882      1.17965175     -0.18637238
+O      4.81164937      2.34087376     -0.02023068
+H      1.99241088     -0.44251624      1.68779257
+H      1.07927052      0.35688724     -0.87105014
+H      2.53974512     -0.63405792     -0.60196188
+H      2.85292168      3.54759217      0.30673355
+H      0.14809066      2.07023784      0.61672374
+H      0.48055240      3.89524739      0.78014421
+H      5.70377854      1.99677428     -0.20239936 
+
+12
+-1236.9852275018784 11.457384 12.0442 -9.0511 -6.9788 -9.412 0.3835 -1.3135 -0.253 8.90226 0.80135 3.8113792344 9.1586102466 0.347363619
+O      0.96384419     -0.01582101     -0.00981572
+C      2.39821863     -0.03513491      0.00021412
+C      2.91377177      1.32442389     -0.00025691
+C      3.36998076      2.45453886     -0.00018239
+C      3.98743018      3.72489809     -0.00042390
+N      3.27598270      4.80779087      0.00100323
+O      4.11886983      5.93447362      0.00008802
+H      0.66584000     -0.94215098     -0.00853995
+H      2.79751769     -0.56484219     -0.88689521
+H      2.78508362     -0.55951015      0.89596449
+H      5.08533370      3.77481090     -0.00194738
+H      3.47547694      6.66662301      0.00121159 
+
+16
+-1537.485667441367 10.724492 11.60434 -9.5429 -7.4668 -10.679 1.4397 -0.3022 0.412 10.19033 0.19072 5.5198691186 6.600270724 0.19732143
+O      0.80084822      0.15569308      0.16176567
+C      2.21997045     -0.04336486      0.09631701
+C      2.87880641      1.32819459      0.06442907
+C      4.41558742      1.25611874      0.01715075
+C      4.94064782      0.65745224     -1.25051317
+N      5.69607903     -0.37762326     -1.20983214
+O      6.08526170     -0.77535056     -2.51743607
+H      0.37476529     -0.71740984      0.14950582
+H      2.49725064     -0.61942728     -0.80577042
+H      2.58099967     -0.60939401      0.97685356
+H      2.56871700      1.88984237      0.95905277
+H      2.49652331      1.88507494     -0.80682958
+H      4.80823016      0.68047622      0.86920811
+H      4.81379378      2.28101387      0.10889147
+H      4.67006925      1.11531754     -2.21413588
+H      6.64669985     -1.54873378     -2.32990695 
+
+18
+-1733.8997926014335 11.33104 12.65338 -9.0362 -6.9204 -10.574 1.0509 0.098 3.276 9.87999 -3.27397 8.7081071156 12.3025604444 0.234606632
+O      2.41733362      1.62433061      3.10551714
+C      2.68438300      2.52136378      2.01463113
+C      3.12683973      1.68310558      0.82382558
+C      3.40557704      2.51275476     -0.42867071
+N      4.50909088      3.45713703     -0.21944603
+C      5.84607553      2.92971006     -0.51900970
+C      5.18788421      3.90518498     -1.43797457
+H      2.21085651      2.16181049      3.88816005
+H      3.47423567      3.24567740      2.27623170
+H      1.77479015      3.09467106      1.74764024
+H      2.34015479      0.94584994      0.59724670
+H      4.02731787      1.11215154      1.10385191
+H      2.51380998      3.10485285     -0.69770473
+H      3.61094476      1.83004224     -1.28194222
+H      5.91819806      1.89331932     -0.86794832
+H      6.64633849      3.25304232      0.15021286
+H      5.49951720      4.95196003     -1.45089233
+H      4.82585253      3.51334602     -2.39527869 
+
+16
+-1603.518405164225 10.818411 11.98584 -9.2049 -7.0869 -10.75 1.2187 -0.8492 -0.005 10.08058 0.6234 3.6764204734 11.36641655 0.201923081
+O      1.81007960     -0.42421820     -0.37213192
+C      2.32683331     -0.04309004      0.66331049
+C      3.27351757      1.12073993      0.78183626
+C      3.57057047      1.83780593     -0.52953498
+N      4.44499780      2.98760496     -0.28884127
+C      5.88537357      2.70769201     -0.36842517
+C      5.19299389      3.45542772     -1.45921782
+H      2.11110475     -0.56665751      1.63194381
+H      4.20000630      0.74438410      1.25458282
+H      2.85224577      1.82382043      1.52335853
+H      2.63124198      2.20752242     -0.96829737
+H      4.00354087      1.12163340     -1.25833643
+H      6.19511443      1.68113011     -0.59490553
+H      6.51185620      3.23723658      0.35239624
+H      5.30632371      4.53803395     -1.54533612
+H      5.04347979      2.92307421     -2.40469154 
+
+12
+-1306.6821214485954 10.185139 10.73464 -10.0053 -7.9519 -10.643 -0.1441 -1.9412 -0.501 9.78633 1.06384 3.690009339 6.8245366008 0.182264033
+O      1.75889940     -0.59056978     -0.79538142
+C      2.16163381      0.35181540     -0.13954110
+C      1.71770574      0.55044157      1.23392125
+C      1.34102200      0.70716755      2.37941856
+N      3.08612474      1.29307828     -0.70412114
+C      4.08049556      1.89180995      0.23615145
+C      2.95240530      2.70935635     -0.24826519
+H      0.99440161      0.82387197      3.38697067
+H      5.07260387      1.99257422     -0.20615213
+H      4.04943557      1.56699331      1.27922861
+H      2.15824699      2.93748208      0.46711706
+H      3.09143540      3.42825909     -1.05690662 
+
+14
+-1465.0370066266205 11.815282 12.01732 -9.3314 -7.3306 -9.872 -0.012 -1.7192 -0.709 9.36545 1.29935 3.4649623504 5.2097553354 0.633114878
+O      1.24605117     -0.37320161     -0.80336557
+C      2.38897055     -0.11707665     -0.44381181
+C      2.84313011      1.19290075      0.01985814
+C      4.12501886      1.37247596      0.39680700
+N      4.61686439      2.61308684      0.85252940
+C      5.64006850      2.49695872      1.93302659
+C      6.06000139      2.83835496      0.55813161
+H      3.18313749     -0.91037207     -0.45283232
+H      2.12501592      2.01450737      0.05191083
+H      4.82817784      0.52066319      0.35044949
+H      5.86917313      1.49294302      2.30123158
+H      5.55808392      3.27110490      2.69733447
+H      6.29576624      3.86958764      0.29114718
+H      6.58091049      2.07080698     -0.02157659 
+
+10
+-1192.9934982509421 9.685922 10.41424 -10.5509 -8.5966 -11.066 -0.8201 -2.6662 -1.076 10.13005 1.7062 3.551207012 6.7518560076 0.12977784
+O      1.13381738      0.07474751      0.96436902
+C      2.17973518      0.04045448      0.33667177
+C      2.82434228     -1.31540821     -0.03463268
+C      3.50766389     -1.34545509     -1.31946804
+N      4.04402853     -1.36655984     -2.35456312
+C      2.90230439      1.22775721     -0.04941073
+C      3.52368285      2.21830137     -0.37923859
+H      2.03328820     -2.07709111      0.00142683
+H      3.55019679     -1.55279730      0.76163046
+H      4.06454051      3.09715099     -0.67046491 
+
+14
+-1484.9175201415594 10.589619 11.5157 -10.3925 -8.1791 -10.101 1.0266 -0.6826 0.824 9.56957 -0.2951 5.3841416444 6.7289929892 0.418192823
+O      1.18028700     -0.05145448      0.23553210
+C      2.51235449      0.21622792     -0.23834471
+C      2.61367169     -0.59222373     -1.54963084
+C      3.95882891     -0.60323242     -2.10901271
+N      5.03977459     -0.61530269     -2.54631593
+C      2.73128846      1.68791086     -0.44144977
+C      3.68132838      2.39319876      0.18104264
+H      1.02646678      0.52892332      1.00189426
+H      3.26371400     -0.17432005      0.47337774
+H      1.91101498     -0.17920289     -2.29006135
+H      2.30073396     -1.62717897     -1.34363078
+H      2.03468844      2.17603735     -1.13247898
+H      4.38420814      1.91640782      0.86869065
+H      3.80009017      3.46431918      0.01415767 
+
+12
+-1324.9522575349208 10.097124 11.20045 -10.7467 -8.3927 -10.339 0.9332 -0.4489 1.209 9.94386 -0.90247 4.393629889 10.4330623406 0.296490356
+O      0.97119336     -0.02556757     -0.02026482
+C      2.40600185     -0.00106085      0.02896541
+C      2.85909144     -0.81951677     -1.20350488
+C      4.29227604     -1.07964871     -1.22040381
+N      5.43739648     -1.29879013     -1.22571087
+C      2.93849829      1.36050885      0.02624617
+C      3.34395765      2.50361254      0.04656041
+H      0.64562231      0.67639530      0.57059497
+H      2.76740455     -0.51763679      0.93868097
+H      2.56685909     -0.28413712     -2.11846314
+H      2.31781995     -1.77715544     -1.18518183
+H      3.71429899      3.50897671      0.05705141 
+
+15
+-1494.085841297268 11.949928 11.97889 -8.0908 -6.1505 -8.465 0.8221 -0.2572 0.708 7.89683 -0.18273 4.93774245 5.1567265232 0.405065242
+O      4.25173352     -1.06750385     -0.63768330
+C      3.18255538     -0.57098772      0.17194183
+C      3.26838673      0.91952045      0.27846068
+C      4.22167242      1.65172866     -0.32222828
+N      4.33889922      3.03515137     -0.23438757
+C      5.28199043      3.82271484     -0.88694030
+N      6.21943500      3.49892312     -1.70066413
+H      4.16264955     -2.03238725     -0.68874594
+H      3.22130093     -1.01592438      1.18757568
+H      2.20071071     -0.85326561     -0.26106119
+H      2.49419476      1.39533380      0.88825292
+H      4.98138358      1.15580779     -0.92575667
+H      3.67005119      3.52659663      0.35280895
+H      5.16166241      4.88380018     -0.62807576
+H      6.24615417      2.48666196     -1.88478691 
+
+15
+-1495.0238786305451 11.641774 11.76599 -8.2952 -6.396 -8.822 0.75 -0.6687 0.612 8.11449 -0.18564 4.9820426478 5.27932388 0.328923564
+O      2.95629832     -0.73992146     -0.46068934
+C      2.04932447      0.20831073      0.13334802
+C      2.57470588      1.60215687     -0.12105516
+C      1.74951251      2.61805765     -0.43858093
+N      3.95709110      1.69219724      0.07639424
+C      4.69996904      2.85077534      0.22245518
+N      5.97772356      2.97917506      0.23824914
+H      2.74173841     -1.62051589     -0.11150321
+H      1.99022765      0.04061722      1.22519814
+H      1.03807325      0.11816364     -0.29452292
+H      0.68196672      2.43051564     -0.53386031
+H      2.09529381      3.63703794     -0.59829098
+H      4.45412954      0.80465110     -0.01095944
+H      4.08194613      3.74446561      0.37263356
+H      6.44786961      2.07476330      0.07510401 
+
+17
+-1632.8100534579778 11.360433 12.31783 -8.563 -6.6082 -9.544 0.7785 -0.2629 1.011 8.75808 -0.48594 5.049205864 8.7467535518 0.23062542
+O      2.61571926     -0.69603549      0.89719587
+C      2.21472283      0.15379640     -0.18979135
+C      2.83653006      1.52545371      0.02629961
+C      4.37180131      1.50278145     -0.01894620
+N      4.99495075      2.80079574      0.21383353
+C      5.15428423      3.73455681     -0.78792018
+N      5.43669977      4.98779041     -0.71277177
+H      2.22275332     -1.57315507      0.75670699
+H      1.11423217      0.24794527     -0.22892380
+H      2.55180422     -0.26571411     -1.15797231
+H      2.50170726      1.91671860      1.00138211
+H      2.45609649      2.21411869     -0.74522854
+H      4.71113327      1.14218875     -1.00395905
+H      4.75366318      0.78885847      0.72421945
+H      4.95878871      3.15866761      1.16680124
+H      5.05629700      3.28760043     -1.79012436
+H      5.50073617      5.29823233      0.26955875 
+
+14
+-1451.3859682602583 9.769674 10.56757 -9.6686 -7.5137 -10.754 1.1175 -0.9688 -0.129 10.19544 0.73337 3.6694152644 9.212717737 0.181641039
+O      2.49012769     -0.95432959     -0.09759770
+C      1.93069735      0.12418627     -0.00576236
+C      2.63176703      1.45388128      0.06792045
+C      4.15524677      1.35479388     -0.02322177
+N      4.81534563      2.64112821      0.18904726
+C      4.77305147      3.64535230     -0.73303232
+O      4.15923189      3.59209703     -1.79478865
+H      0.81241634      0.18493398      0.03538290
+H      2.31426386      1.94530818      1.00576514
+H      2.24003452      2.09483709     -0.74119116
+H      4.43613001      0.96871052     -1.01385380
+H      4.53647689      0.64544353      0.72209112
+H      5.37092413      2.78383384      1.02717262
+H      5.36211640      4.53573348     -0.41245173 
+
+14
+-1442.3801993398922 11.138729 11.50497 -8.5719 -6.555 -8.987 0.7342 -0.2983 0.104 8.52158 0.51622 4.2933996066 5.1167038424 0.425568733
+O      3.89834814     -0.99952496     -0.06438601
+C      2.64423466     -0.31384947     -0.04376110
+C      2.86962358      1.16491296      0.00901461
+C      4.08748144      1.72691051      0.03485705
+N      4.33086905      3.10059904      0.08221130
+C      5.57922638      3.67801470      0.11056449
+O      5.77886367      4.88417574      0.15266359
+H      3.71694057     -1.95218369     -0.09725648
+H      2.04118172     -0.62416288      0.83380516
+H      2.04637812     -0.56104491     -0.94461354
+H      1.96706170      1.78265035      0.02505931
+H      4.98490900      1.10683399      0.01861307
+H      3.54421637      3.75098570      0.09879817
+H      6.39255561      2.91739292      0.09086039 
+
+14
+-1440.3674970254554 10.801455 10.96838 -8.7461 -6.8561 -9.288 0.7552 -0.8021 0.026 8.70081 0.54458 4.2560550234 5.3063280308 0.423806668
+O      2.56597675     -0.39002366     -1.56684683
+C      2.13106669      0.05258851     -0.27065330
+C      2.68288711      1.42593488      0.01175470
+C      1.86475683      2.47777424      0.20588109
+N      4.07553236      1.56029456      0.11903388
+C      5.05425810      0.60224025     -0.05237822
+O      6.24504781      0.83858025      0.10688869
+H      2.18676403     -1.27243476     -1.72006753
+H      2.46809574     -0.64844522      0.51775852
+H      1.03246406      0.11736343     -0.21956632
+H      0.78729175      2.35833528      0.12080284
+H      2.24681554      3.46919657      0.45224936
+H      4.43973390      2.48598369      0.35077564
+H      4.65838932     -0.38509803     -0.35883251 
+
+16
+-1586.3203326862388 10.128307 10.7995 -9.6498 -7.4342 -10.85 0.5901 -0.4348 0.105 10.12088 0.4808 4.374660031 9.1713808046 0.216243335
+O      2.44728325     -0.94771815     -0.91028178
+C      2.07705614     -0.04561515      0.12487847
+C      2.74857901      1.32929273     -0.00322822
+C      4.27962102      1.26950198     -0.07950061
+N      4.92650254      0.67639282      1.09408733
+C      5.21268626     -0.64648554      1.20272436
+O      4.94516590     -1.50639308      0.35926310
+H      3.33196685     -1.30026939     -0.66289626
+H      2.29095786     -0.47745145      1.12133627
+H      0.98535623      0.08543156      0.06132826
+H      2.43277359      1.96664254      0.84095374
+H      2.39662393      1.81536231     -0.92761372
+H      4.69423053      2.27836402     -0.21522138
+H      4.57968949      0.66747435     -0.94888520
+H      5.17117472      1.27367657      1.87935060
+H      5.73729266     -0.89218611      2.15194504 
+
+15
+-1471.5752399024884 11.795178 12.13939 -8.9592 -6.9544 -9.626 0.5658 -1.1806 0.255 9.22728 0.41492 4.4792298234 5.7576370708 0.741635231
+O      2.38496351     -0.80149769      1.29748952
+C      2.08542715     -0.21711054      0.02320884
+C      2.72384944      1.17254644     -0.02411069
+C      4.21614690      1.12788659      0.02367557
+N      4.91497635      1.64598064     -0.92562539
+N      6.30525450      1.48422597     -0.68627452
+C      7.00525053      1.95059507     -1.65497158
+H      2.05739043     -1.71604888      1.29680523
+H      0.99405057     -0.11380500     -0.11835506
+H      2.48157976     -0.83720548     -0.80154429
+H      2.35249711      1.74022738      0.84683117
+H      2.40699981      1.69567258     -0.93731462
+H      4.70712297      0.63588914      0.87635478
+H      8.09259642      1.87528524     -1.57440070
+H      6.54945456      2.41116852     -2.54328828 
+
+17
+-1606.2981045096662 11.83974 12.45454 -8.4165 -6.4199 -9.181 1.4887 -0.2525 0.604 8.61558 -0.09688 4.80693722 5.3807072322 0.392524107
+O      0.92983371      2.65088205     -1.63414178
+C      2.32595105      2.31879206     -1.67757413
+C      2.75284582      1.93007661     -0.26871671
+C      4.23456482      1.57573863     -0.15742813
+N      5.07932749      2.74588618     -0.40267268
+N      6.38666747      2.48041223     -0.65504831
+C      7.26600357      3.38582107     -0.39865828
+H      0.66360525      2.93898002     -2.52304316
+H      2.92841278      3.17377564     -2.03111742
+H      2.50814896      1.47070638     -2.36575469
+H      2.15593480      1.06587671      0.06145600
+H      2.50395889      2.75628234      0.41933056
+H      4.51975442      0.82465924     -0.90909685
+H      4.43620362      1.13085646      0.83576902
+H      4.90829089      3.52507431      0.24951152
+H      8.30060640      3.17691440     -0.67045022
+H      7.01906005      4.35565568      0.06514525 
+
+16
+-1525.9550482264638 10.925255 11.74144 -9.4679 -7.4075 -10.895 1.3746 -0.5617 0.267 10.47243 0.24181 5.332885832 6.6058872898 0.452192562
+O      0.74279794      0.05839226     -0.07680775
+C      2.16122455     -0.15696086     -0.11656376
+C      2.82913675      1.20852518     -0.21391707
+C      4.34459062      1.15122471     -0.14927253
+O      4.81426704      0.45569232     -1.32744762
+N      6.21195175      0.34901468     -1.26900290
+C      6.67984785     -0.23840613     -2.30762619
+H      0.30745167     -0.80988081     -0.09839170
+H      2.44383625     -0.77926903     -0.98332045
+H      2.50670260     -0.67382221      0.80012822
+H      2.47558870      1.83307081      0.62181558
+H      2.51148143      1.70647390     -1.14325694
+H      4.69388811      0.61120223      0.74684927
+H      4.77623972      2.16458881     -0.13448037
+H      7.76212381     -0.36391775     -2.33889212
+H      6.05054120     -0.60094810     -3.12889366 
+
+18
+-1736.646396789319 11.382507 12.60568 -8.4488 -6.3993 -9.872 0.9966 0.001 3.278 9.08809 -3.13365 7.9524992358 10.968607469 0.091606219
+O      0.87171441      2.27120125     -0.51081691
+C      2.29177859      2.33002715     -0.70553839
+C      2.92889541      1.33254001      0.25426175
+N      4.37766693      1.35984076      0.15091533
+C      5.10874166      2.48626205      0.79024534
+C      6.20854268      1.48656233      1.21642586
+C      5.13921642      0.39384833      0.98136342
+H      0.46015536      2.89890124     -1.12722951
+H      2.67605923      3.34666971     -0.49635079
+H      2.57189242      2.06635957     -1.74111958
+H      2.58000577      0.31946749     -0.00322527
+H      2.57656965      1.55140068      1.28855903
+H      4.56630475      2.89860033      1.66731654
+H      5.38454079      3.31101582      0.11543588
+H      7.02935340      1.43266240      0.49042611
+H      6.61329559      1.58547021      2.22996277
+H      5.43389281     -0.53171084      0.46293633
+H      4.61227412      0.13242150      1.92237209 
+
+16
+-1605.219859217819 10.851518 11.88359 -8.9226 -6.848 -10.313 1.0286 -0.9819 0.031 10.04271 0.59756 3.6626952232 8.2331167496 0.105005464
+O      1.54554893      2.83976356     -0.35850097
+C      2.39597556      1.98274164     -0.50281416
+C      2.98485329      1.15707232      0.62817489
+N      4.35997250      0.79050549      0.36415858
+C      5.42362075      1.79392013      0.64310226
+C      6.32998901      0.64136693      1.13304386
+C      5.02219914     -0.17190633      1.28185206
+H      2.80614181      1.72243483     -1.51285973
+H      2.38125857      0.23029539      0.66435066
+H      2.82583838      1.69092867      1.59011509
+H      5.14917689      2.48235892      1.46813730
+H      5.74632713      2.38411679     -0.22770988
+H      6.97621573      0.25065676      0.33751509
+H      6.91854875      0.81628670      2.04022699
+H      5.00884430     -1.21806975      0.94017796
+H      4.62636927     -0.11975204      2.31609001 
+
+18
+-1740.492910109683 11.457227 12.86376 -8.6253 -6.526 -9.895 0.9705 -0.0474 3.324 9.14459 -3.55668 8.0195508646 11.5666663386 0.335770891
+O      0.86522120      2.61890533      0.58910472
+C      1.93663234      1.76557354      1.03302520
+C      3.18907881      2.61458529      1.14064927
+N      3.58494327      3.11848517     -0.17567676
+C      4.72881373      3.99414352     -0.13305777
+C      6.09530689      3.36422392     -0.27206195
+C      5.51193116      4.17795979     -1.40690669
+H      0.10315715      2.05806265      0.37091101
+H      2.11060853      0.94997319      0.30867705
+H      1.70342840      1.32519367      2.01997001
+H      4.00537932      1.99011376      1.53959419
+H      3.00735261      3.42547850      1.87961460
+H      2.78420147      3.61111576     -0.58166473
+H      4.67254178      4.86911166      0.53407828
+H      6.11859859      2.28181063     -0.40250521
+H      6.92242669      3.78602224      0.29969827
+H      5.93417281      5.16145368     -1.61420515
+H      5.15577528      3.62893769     -2.27881434 
+
+16
+-1607.4858293158327 10.922582 12.19811 -9.285 -7.1468 -10.48 1.0201 -1.0074 -0.025 10.09826 0.64181 3.6609470206 11.6245182062 0.296688166
+O      1.16304622     -0.19116181      0.16556287
+C      2.34934584      0.05621216      0.26753504
+C      2.96701916      1.41953538      0.01926524
+N      4.32933083      1.29697217     -0.49099385
+C      5.09076368      2.52320852     -0.43602562
+C      5.84636746      2.81094421      0.83923257
+C      6.59230276      2.40551715     -0.41325008
+H      3.09117009     -0.72663666      0.57366445
+H      3.02495370      1.90723973      1.01065103
+H      2.27281697      2.02580098     -0.59502042
+H      4.31203363      0.94664391     -1.45230825
+H      4.67911988      3.39910649     -0.95889673
+H      5.76948675      2.06317085      1.62905165
+H      5.91520112      3.84484659      1.17739821
+H      7.17416094      3.16016931     -0.94221399
+H      7.00181097      1.39569103     -0.43873211 
+
+12
+-1350.1788232315555 9.905432 10.84035 -10.5719 -8.6622 -11.409 -0.7595 -2.6082 -1.318 10.26988 1.78849 3.4450997932 11.5159188688 0.359673757
+O      1.46013164      0.50137703     -1.67365611
+C      1.73253138      0.64741546     -0.48923347
+C      1.00007622     -0.13594506      0.52953861
+N      0.41945947     -0.75619582      1.33090537
+C      2.75922768      1.56362637      0.04882191
+C      4.00348674      1.79736365     -0.81345062
+C      2.98754997      2.87458316     -0.71089532
+H      2.87859826      1.57316049      1.13183392
+H      4.03815030      1.22334782     -1.73972746
+H      4.94368302      1.89658301     -0.27219776
+H      3.19630445      3.74833946     -0.09477954
+H      2.33110086      3.03190444     -1.56692954 
+
+14
+-1478.6259767336903 10.0703 11.38914 -10.9215 -8.6661 -11.655 0.7957 -0.4765 1.381 11.25298 -0.96975 5.4047481176 11.7712184414 0.171975272
+O      2.80882657     -0.95577550     -0.67199961
+C      2.24452757      0.17699650     -0.00223724
+C      1.79586665     -0.27632830      1.32642454
+N      1.42188254     -0.57663489      2.38845291
+C      3.21644768      1.33391328      0.12325139
+C      3.36619923      2.27483327     -1.05470221
+C      2.69421217      2.74505104      0.21207281
+H      3.26842846     -0.60511892     -1.45663971
+H      1.33776366      0.53310206     -0.53455788
+H      4.11642521      1.09496194      0.69335187
+H      2.73157090      2.10985118     -1.92796763
+H      4.36505960      2.64539658     -1.28380873
+H      3.22857077      3.43872787      0.85987900
+H      1.61309899      2.88867389      0.18889048 
+
+11
+-1213.5228533615318 9.410696 10.16552 -10.4543 -8.3407 -11.376 -0.9169 -2.8247 -1.453 10.409 1.91228 3.355371125 11.87041964 0.245099393
+O      1.03046295      0.42571255     -0.97938168
+C      1.78083740      0.50896483     -0.02323833
+C      1.64541937     -0.42522851      1.11568233
+N      1.53701016     -1.15652177      2.01991032
+C      2.90741920      1.48054144      0.10738556
+C      3.68604178      1.83437804     -1.13418189
+N      2.72102196      2.77872523     -0.58704423
+H      3.44920946      1.45509533      1.05570450
+H      3.36900671      1.36136242     -2.06614242
+H      4.75798996      2.00601656     -1.01145635
+H      3.20058104      3.50289388     -0.04155783 
+
+13
+-1346.5590670824256 9.59602 10.74526 -10.3232 -8.1347 -11.364 0.7082 -0.6177 1.363 10.83118 -0.96476 5.4045993344 11.0546041586 0.238730418
+O      3.08382560     -1.04004899     -0.53622756
+C      2.33758488      0.05314754      0.00505456
+C      1.82890535     -0.36956630      1.31966793
+N      1.42169652     -0.65248786      2.37413239
+C      3.17862861      1.31532768      0.14535179
+C      3.32592844      2.24570953     -1.01034677
+N      2.42965894      2.57849104      0.11435660
+H      3.43832031     -0.73927763     -1.39253418
+H      1.45507923      0.29994483     -0.61700960
+H      4.02871719      1.21407737      0.82643010
+H      2.80787937      2.03936398     -1.95135159
+H      4.27785228      2.77206736     -1.11246202
+H      2.86703327      3.26228145      0.73851834 
+
+14
+-1450.4692928534823 10.933998 11.95011 -9.1273 -6.9559 -9.763 0.9296 -1.1249 -0.202 9.59695 0.81895 3.6148862216 10.7991310056 0.575354311
+O      2.77956719      2.39761813     -2.26172604
+C      2.21803109      2.11438735     -1.22001778
+C      2.89130099      1.43968385     -0.03577169
+N      4.32405563      1.22965801     -0.10826208
+C      5.09244106      2.47773044      0.07617245
+C      6.52534773      2.24815420     -0.06810834
+C      7.71623098      2.06748081     -0.21130173
+H      1.11995835      2.30779256     -1.08394942
+H      2.37315050      0.46788983      0.08878123
+H      2.63490786      2.00811804      0.87675147
+H      4.56077378      0.84287798     -1.02677954
+H      4.88928103      2.84718844      1.09686297
+H      4.79442455      3.28287389     -0.62495846
+H      8.76820928      1.90833649     -0.33288303 
+
+18
+-1741.039010902739 12.138741 13.29696 -8.6626 -6.5721 -9.556 1.0078 -0.0849 1.396 9.03893 -0.84616 6.7291045766 6.7291045766 0.433171796
+O      2.59666660     -0.57131129     -1.01334358
+C      2.12229070      0.21800905      0.09226578
+C      2.65348165      1.62786773     -0.08645528
+N      4.11137161      1.64845557      0.01077820
+C      4.68319490      2.96765634     -0.27104033
+C      6.17877044      2.94314511     -0.14702017
+C      7.02474038      3.33273923     -1.10691916
+H      2.39018110     -1.50254410     -0.83098820
+H      2.48945801     -0.19114305      1.05027174
+H      1.01714848      0.24115650      0.11234494
+H      2.23458176      2.26322845      0.71273248
+H      2.27566870      2.02910611     -1.05342072
+H      4.48247524      0.97318149     -0.66433409
+H      4.27202760      3.66987920      0.47880018
+H      4.39687360      3.36905124     -1.26851175
+H      6.56553387      2.56495935      0.80544709
+H      6.65970445      3.70008506     -2.06992106
+H      8.10592093      3.30483799     -0.96339609 
+
+16
+-1583.0594209222525 11.588535 12.94853 -8.8434 -6.7534 -9.684 0.9308 -0.128 2.41 9.38249 -1.99956 4.4034495802 10.8683151936 0.789220624
+O      2.55835456     -1.19918637     -0.65137294
+C      1.68066657     -0.34059941      0.09724430
+C      2.23445469      1.06914838      0.01124449
+N      3.53567395      1.14917585      0.67199295
+C      4.16403707      2.46285885      0.49146391
+C      5.52311817      2.49966968      1.02105236
+C      6.66242842      2.52879581      1.43715668
+H      2.31332023     -2.12039353     -0.46613299
+H      1.63756629     -0.65146583      1.15595753
+H      0.65858324     -0.35931584     -0.32340006
+H      1.53238171      1.75217763      0.51971518
+H      2.26986479      1.37374429     -1.05873764
+H      4.14379081      0.42999205      0.26972409
+H      3.55172789      3.21463613      1.02155802
+H      4.19310511      2.78681573     -0.57392134
+H      7.66486649      2.55340659      1.81285545 
+
+13
+-1362.7674306712552 9.715896 10.54946 -9.8044 -7.7155 -10.648 0.786 -1.2871 -0.248 10.3071 0.84764 3.6672207122 12.136121638 0.208433363
+O      2.78322341     -0.57959699     -0.54777293
+C      2.26411379      0.25667392      0.16873088
+C      2.95761592      1.51874275      0.61572535
+N      4.36938904      1.49576335      0.28977334
+C      5.00247974      2.79627704      0.13904887
+C      4.37592990      3.67408833     -0.87413810
+N      3.81694195      4.31253060     -1.67565375
+H      1.21046660      0.14885940      0.52453950
+H      2.79249442      1.64232568      1.70279797
+H      2.38985349      2.34540175      0.12851333
+H      4.50753079      0.90349364     -0.53488657
+H      6.05952367      2.65222770     -0.12849619
+H      4.99203727      3.33258283      1.10206829 
+
+15
+-1493.7219847559213 10.416228 11.73822 -9.4837 -7.3203 -10.596 0.7807 -0.343 1.495 9.86595 -1.12395 5.414840578 11.8649394588 0.176106919
+O      3.32610494     -0.50020238     -1.09746761
+C      2.11268337     -0.31326828     -0.35071198
+C      2.21836954      1.02799789      0.35114537
+N      3.31627095      1.00206272      1.31873242
+C      3.55686384      2.31838439      1.90575703
+C      4.69753210      2.29794693      2.82399901
+N      5.61464769      2.30135911      3.54353946
+H      3.35632139     -1.41936069     -1.40905600
+H      1.98640642     -1.11128461      0.40168487
+H      1.23268488     -0.30819043     -1.01890185
+H      1.27373230      1.22535907      0.88512888
+H      2.33779028      1.82294832     -0.41719939
+H      4.15989071      0.68509440      0.83162684
+H      2.66616322      2.62182551      2.48221126
+H      3.73973837      3.12393806      1.16048168 
+
+18
+-1693.7985908952908 10.866572 12.05572 -9.0649 -6.9473 -10.21 0.848 -0.2005 3.15 9.46 -3.02734 8.138751005 11.0884027422 0.113668638
+O      0.76566493      2.04977001      2.06083724
+C      1.18890780      1.25747516      0.93719885
+C      1.70128767      2.21056479     -0.12601245
+N      2.88363157      2.92812981      0.35139110
+C      3.38798235      3.93894779     -0.58467944
+C      4.75489663      4.41269451     -0.09715343
+O      5.63244567      3.30698100      0.09505531
+H      0.57961711      1.45242240      2.80333662
+H      0.34599134      0.67018723      0.52948359
+H      1.99780529      0.56439663      1.23013471
+H      0.87499515      2.89360678     -0.41819354
+H      1.97616487      1.62838718     -1.02104827
+H      2.63585134      3.37793971      1.23895254
+H      2.70327557      4.80287738     -0.71788067
+H      3.50763899      3.45439325     -1.56795535
+H      4.63301670      4.98829194      0.84477418
+H      5.21539660      5.08437358     -0.83739863
+H      5.04173042      2.60389087      0.44373762 
+
+14
+-1426.751145802569 9.937711 10.91187 -9.505 -7.3619 -10.747 0.8097 -1.2639 -0.35 10.19691 0.72023 3.657401021 12.4384491004 0.152604341
+O      1.61758289      2.12385994     -1.08932106
+C      1.66222016      1.70517223      0.05348441
+C      2.77455528      2.02673539      1.01906713
+N      3.88854773      2.68354147      0.37437501
+C      4.68735305      3.53655552      1.23856426
+C      5.98587681      3.94509163      0.56389720
+O      6.57720697      4.98138365      0.79595054
+H      0.84707503      1.06467491      0.47242662
+H      3.08305097      1.08647248      1.51526123
+H      2.28408262      2.63053182      1.82018272
+H      3.53911946      3.18442843     -0.44801980
+H      4.99500966      2.94929163      2.12497578
+H      4.18000470      4.44482666      1.62143573
+H      6.37434468      3.19249424     -0.16970977 
+
+16
+-1559.519323852574 10.356063 11.48228 -9.1848 -6.9981 -10.503 1.0844 -0.9409 0.01 10.09511 0.59837 3.6757137532 8.2215984502 0.082053224
+O      2.94973106     -0.86363559     -1.13373174
+C      2.32676195     -0.19379252     -0.02344425
+C      2.72557890      1.26788672     -0.09330287
+N      4.17408550      1.41161406      0.06647463
+C      4.63602557      2.78198410     -0.09853888
+C      4.42335252      3.59569962      1.16878539
+O      4.28007208      4.80279527      1.19946378
+H      2.82141401     -1.81980914     -1.02350190
+H      2.67051964     -0.62245288      0.93454640
+H      1.22648329     -0.27739480     -0.07919206
+H      2.21432409      1.80892512      0.72072491
+H      2.35768357      1.69712146     -1.05046132
+H      4.62851697      0.79817869     -0.61246803
+H      4.19010339      3.33490452     -0.95109255
+H      5.72899004      2.76959969     -0.25910137
+H      4.43047744      2.97589568      2.10434986 
+
+11
+-1212.4558975759533 9.121596 9.69525 -10.7329 -8.6484 -11.373 -0.662 -2.6175 -1.267 10.53096 1.66661 3.6319466952 7.744661504 0.203458309
+O      1.93194388     -0.70377248     -0.72209449
+C      2.28503542      0.28817181     -0.12450112
+C      1.81989213      0.50787371      1.26791365
+N      1.46372281      0.69725710      2.36431741
+N      3.13543061      1.27036884     -0.69382665
+C      4.07555505      1.95996050      0.24845887
+C      2.89871584      2.68522250     -0.25854625
+H      5.06052722      2.11765399     -0.19192322
+H      4.06244668      1.65106155      1.29667474
+H      2.08222144      2.87151627      0.44356129
+H      2.99194892      3.39250620     -1.08317423 
+
+13
+-1324.406773201772 11.079067 11.10776 -9.3338 -7.3565 -11.001 -0.5355 -2.3932 -1.412 10.0763 1.78021 3.2045049602 5.7469246804 0.611997136
+O      5.07911376     -1.80491655      0.87839761
+C      5.28806491     -0.62822000      1.13046602
+C      5.27481384      0.43225384      0.09778455
+N      5.50945009      1.63674636      0.48417007
+N      5.47054145      2.57037750     -0.59991354
+C      6.42903128      3.68620803     -0.29932129
+C      4.98892957      3.89073940     -0.07160438
+H      5.50444373     -0.26554306      2.16406393
+H      5.06864742      0.16013943     -0.94699817
+H      6.91500521      4.07583092     -1.19387289
+H      7.06192834      3.54471320      0.57776702
+H      4.63768913      3.88907358      0.96110790
+H      4.38015128      4.43577735     -0.79307684 
+
+15
+-1458.700313991264 10.973544 11.4915 -9.0024 -7.0109 -10.34 1.2425 -0.4552 0.616 9.86044 0.03233 4.7734114056 6.6113922682 0.382262194
+O      3.60776240     -0.49919132      1.42619913
+C      2.47287519     -0.01379703      0.73795122
+C      2.76821075      1.16921208     -0.13043068
+N      3.96727952      1.61126890     -0.16696119
+N      4.11875177      2.75075594     -1.03849234
+C      5.48412674      2.73352188     -1.63438994
+C      5.18813437      3.63880300     -0.50247291
+H      4.34224894      0.09096662      1.14823691
+H      1.67983377      0.27151815      1.45802740
+H      2.03796119     -0.81197296      0.10341764
+H      1.95707655      1.62995440     -0.71328390
+H      5.52019396      3.11082185     -2.65702103
+H      6.08586615      1.84793160     -1.42355292
+H      5.58960084      3.36681004      0.47513267
+H      5.00044785      4.69996685     -0.67025006 
+
+15
+-1481.7757887019852 10.386909 11.19169 -9.2915 -7.3119 -10.264 0.7814 -0.3258 0.947 9.53432 -0.31442 4.8515845786 6.5329091302 0.144537995
+O      0.95888950      0.23605972      0.03705196
+C      2.32425232      0.11329738      0.42094859
+C      3.27211964      0.94667254     -0.43510248
+N      2.96574451      1.54700258     -1.52382967
+N      4.59381537      0.91461046      0.04793417
+C      5.49404373      2.01255568     -0.28092313
+C      4.99778911      1.83832212      1.12090747
+H      0.64379003      1.11234163      0.32144703
+H      2.58772232     -0.94791445      0.29902481
+H      2.47954389      0.35936638      1.48689040
+H      1.97637493      1.34923905     -1.73647161
+H      5.06938615      2.82287284     -0.87755845
+H      6.51382443      1.71364862     -0.53062641
+H      5.64646572      1.41450993      1.89059281
+H      4.25273835      2.55856552      1.47196450 
+
+15
+-1498.4197105354672 11.938202 11.88825 -8.1833 -6.2815 -8.843 1.0492 -0.3508 0.535 8.13555 -0.01487 4.8781795756 5.2932599064 0.49903776
+O      0.60347887     -0.09662107     -0.49798915
+C      1.96757246     -0.42886744     -0.27808929
+C      2.86096212      0.80839653     -0.17524384
+N      2.43877857      2.02335631     -0.17817761
+N      4.22581645      0.58505937     -0.08409113
+C      4.89836332     -0.62631126     -0.00276242
+C      6.23258997     -0.76261684      0.10370840
+H      0.51343547      0.20040569     -1.42119677
+H      2.34883606     -1.10200516     -1.06639299
+H      1.99704699     -0.98625396      0.67120125
+H      1.41162857      2.01549418     -0.21870797
+H      4.77177359      1.44497430     -0.01869781
+H      4.25951342     -1.50971460     -0.02640082
+H      6.90350937      0.09723482      0.13378357
+H      6.67271477     -1.75441085      0.16605658 
+
+12
+-1236.6602316753963 10.490956 10.73785 -9.5039 -7.4823 -9.905 0.0613 -1.662 -0.434 9.38449 0.99532 3.893718337 11.5055660378 0.495518847
+O      1.70954561     -0.56817537      1.01493202
+C      2.40087177     -0.06217062     -0.12020268
+C      2.88085862      1.37599403      0.06028304
+N      2.09360367      2.38310493      0.30020595
+O      0.74290968      1.94972736      0.35226962
+C      4.26811684      1.65984630     -0.04514460
+C      5.47096530      1.79558293     -0.16588936
+H      0.93576613      0.01214149      1.14415688
+H      1.77320777     -0.09368553     -1.03128421
+H      3.26835615     -0.71398038     -0.27847744
+H      0.27514359      2.78451808      0.53103908
+H      6.52734486      1.94245680     -0.26241831 
+
+12
+-1282.0854909932316 9.223638 9.92992 -9.6209 -7.4877 -10.968 -0.954 -2.9793 -1.992 10.32986 2.27628 2.6549990082 11.8828058414 0.239848404
+O      2.26612026      2.98659357      0.10388867
+C      2.25642675      2.20771082     -0.82917971
+C      3.40591709      1.23921632     -1.15552311
+O      3.25438244      0.46265237     -2.08857791
+C      4.60881371      1.29887667     -0.28107631
+C      5.35995444      0.02372221     -0.00687739
+N      5.90976100      0.99548874     -0.94446416
+H      1.40196609      2.11655541     -1.54401804
+H      4.57943389      2.05613581      0.50421777
+H      4.97695297     -0.88376499     -0.47927445
+H      5.79798866     -0.08923155      0.98761399
+H      6.63349269      1.55539461     -0.47998936 
+
+14
+-1418.3311237050232 9.562243 10.5477 -9.7999 -7.6436 -11.059 0.6515 -1.3392 -0.314 10.30358 0.94727 3.6957002964 11.2981126626 0.11908958
+O      2.03446131      0.01315942      1.00604302
+C      2.71388866     -0.20617291     -0.20826925
+C      1.73506262     -0.52324267     -1.32063274
+O      0.53365479     -0.58664935     -1.11046924
+C      3.57161116      0.99293973     -0.59608770
+C      4.99071273      1.08195024     -0.16565151
+N      4.65625739      0.70168540     -1.55556223
+H      1.08618752     -0.14516168      0.79529324
+H      3.39409375     -1.08282159     -0.13792922
+H      2.16987988     -0.68963095     -2.33178851
+H      3.01640215      1.93134452     -0.69100089
+H      5.41553233      0.27636861      0.43820867
+H      5.40202088      2.07519563      0.02611329
+H      4.79233483      1.50097560     -2.18113694 
+
+14
+-1423.5828597566954 9.542486 10.45294 -9.8803 -7.785 -10.908 0.6826 -1.0997 -0.133 9.91554 0.84469 3.7963397326 11.926647291 0.199579689
+O      0.97923599     -0.45990930      0.01246945
+C      2.38136885     -0.54336230      0.08693567
+C      3.01148089      0.83419281     -0.01077094
+O      2.29459356      1.81096696     -0.21652136
+C      4.48938553      0.97873553      0.13451095
+C      5.18285564      0.52114757      1.38898260
+N      5.29116271     -0.26559976      0.15955763
+H      0.79986692      0.49559190     -0.14588310
+H      2.80348708     -1.15664211     -0.73328767
+H      2.70008371     -1.03806703      1.02316870
+H      4.89120696      1.87943392     -0.33808467
+H      4.59717412      0.05728914      2.18581652
+H      6.02840766      1.12725433      1.72338761
+H      6.19282039     -0.09957165     -0.29697142 
+
+16
+-1547.6723356388443 9.958513 11.18767 -9.6193 -7.4222 -11.088 0.9514 -0.1306 2.776 10.4395 -2.45791 8.837846066 11.532247825 0.087426049
+O      0.90845221      0.32065808     -0.30598111
+C      2.29807051     -0.04976048     -0.40776273
+C      3.07262412      1.07860696      0.25877684
+O      2.70078300      1.20196211      1.63808136
+C      4.58055220      0.93026210      0.21666997
+C      5.30846207     -0.36565165      0.14745653
+N      5.17796626      0.48503223     -1.05785319
+H      0.37216218     -0.43198368     -0.60347015
+H      2.61651482     -0.15214079     -1.45818744
+H      2.48339611     -0.99535915      0.13144338
+H      2.81221647      2.01270514     -0.28172347
+H      1.72496042      1.19982363      1.64336526
+H      5.08596269      1.73121284      0.76648023
+H      4.76157353     -1.30933554      0.09989588
+H      6.27597077     -0.42447783      0.65212692
+H      6.05205264      0.99041604     -1.22810826 
+
+12
+-1289.1462075299494 9.258458 9.87757 -9.6896 -7.6116 -10.946 -0.5343 -2.5495 -1.705 10.73426 2.01054 2.94962694 7.562030126 0.113589543
+O      2.69449590     -0.06977967      1.13591503
+C      2.99915881      0.95869311      1.70422189
+C      4.28578417      1.75935592      1.44766943
+O      4.36562183      2.90882634      1.87153985
+N      5.29367133      1.07321330      0.80895294
+C      6.19148935      1.62526980     -0.18666334
+C      5.26914668      0.47983988     -0.51962543
+H      2.33485290      1.47263062      2.44067419
+H      7.25239018      1.42414138     -0.02645886
+H      5.94687135      2.62033684     -0.56540777
+H      4.39869108      0.68641909     -1.14511701
+H      5.67048640     -0.53283662     -0.58961093 
+
+14
+-1428.5148035262423 9.62148 10.5441 -9.9111 -7.7906 -10.807 1.0043 -0.6165 0.184 9.91768 0.51485 4.2077376792 12.7660821054 0.166059457
+O      0.59914377      0.17946067      0.22964031
+C      1.99530587      0.33767915      0.13212340
+C      2.34771207      1.24848399     -1.03866733
+O      1.46141911      1.71223839     -1.75260948
+N      3.70164670      1.41933137     -1.29080207
+C      4.64818333      2.08584636     -0.39902320
+C      4.27616126      2.67723383     -1.73125242
+H      0.24427673      0.69379068     -0.53105481
+H      2.49970669     -0.63476008     -0.01772003
+H      2.40365625      0.77248973      1.06437194
+H      5.61258619      1.58883785     -0.27298013
+H      4.24470962      2.56980102      0.49453077
+H      3.61107177      3.54385862     -1.74100927
+H      4.97881064      2.60701841     -2.56362765 
+
+14
+-1447.7172770384586 10.820053 11.10359 -8.756 -6.773 -9.194 0.9862 -0.6063 0.13 8.66657 0.56419 4.3072488428 5.2652886648 0.317265898
+O      1.94702978     -1.50191891     -0.14951340
+C      1.68152403     -0.21993689      0.43561932
+C      2.88837518      0.72400515      0.48786047
+O      2.76433103      1.89928677      0.82068836
+N      4.08204780      0.12110911      0.16165295
+C      5.30995948      0.78104644      0.17507712
+C      6.48587294      0.20358991     -0.11332113
+H      1.74613834     -1.44666473     -1.09942427
+H      1.36200503     -0.39735666      1.47412761
+H      0.86350459      0.31389130     -0.07096283
+H      4.02757633     -0.87198146     -0.07042691
+H      5.21708763      1.83287677      0.44952880
+H      6.56843365     -0.85076269     -0.38315939
+H      7.40094419      0.79036588     -0.07896671 
+
+12
+-1313.753927669907 10.636691 11.44935 -9.9076 -7.848 -10.003 0.9091 -0.8221 0.089 10.10673 0.54871 4.1059079774 10.7620591916 0.411256142
+O      1.34149054     -0.06296959     -0.28557968
+C      2.53670483      0.10326586     -0.12479851
+N      3.11888292      1.21374440      0.48980925
+C      4.03896751      2.11607708     -0.18597985
+C      2.65232864      2.57667383      0.22897787
+C      2.46585283      3.46704986      1.34244778
+C      2.30702564      4.24856209      2.25652702
+H      3.30532792     -0.65845258     -0.38991291
+H      4.21004065      1.96914101     -1.25599355
+H      4.89606700      2.45034527      0.40165916
+H      1.91268281      2.66625271     -0.57344974
+H      2.16273870      4.92649007      3.07293317 
+
+11
+-1213.7208033244956 9.467561 10.25463 -10.6969 -8.5667 -11.46 0.3332 -1.6677 -0.342 10.58047 0.90946 3.980136579 11.2977779004 0.149285796
+O      1.96007727     -0.80533744      0.32126068
+C      2.42144943      0.21456681     -0.11631505
+N      3.07784309      1.19565135      0.71557804
+C      4.11178401      1.96431160     -0.01734653
+C      2.79059117      2.59043620      0.23186612
+C      2.58989043      3.57977619      1.25924607
+N      2.43596623      4.40967733      2.06449550
+H      2.38559829      0.47587470     -1.20942260
+H      4.32891334      1.68406094     -1.05336481
+H      4.96773167      2.24160796      0.59736969
+H      2.12533507      2.69443436     -0.63276712 
+
+12
+-1324.051334052916 9.317496 9.90167 -9.9093 -7.8763 -11.219 0.3831 -1.456 -0.668 10.44821 1.11761 4.100031041 5.9164631368 0.256537518
+O      1.45729748     -0.13476460      0.94941464
+C      2.56786911      0.01231817      0.46590286
+N      3.06292330      1.23696754      0.05201835
+C      2.47035387      2.59366580      0.06668391
+C      3.78704241      3.11631162     -0.57232116
+C      4.28919789      1.66296007     -0.52528188
+O      5.28810236      1.05557335     -0.82572982
+H      3.30021902     -0.80578938      0.30310607
+H      2.25740208      2.95028910      1.08191931
+H      1.57181906      2.66966182     -0.55768601
+H      3.69556830      3.51603712     -1.58960034
+H      4.37698514      3.80580940      0.04359408 
+
+12
+-1383.453269700788 10.565394 10.43771 -8.8642 -6.8629 -8.687 0.3294 -1.3964 -0.478 8.16337 0.97642 4.1450503576 5.9447443434 0.356835187
+O      2.70982479     -1.11607939      0.01019631
+C      2.20476864     -0.01179880     -0.00127189
+N      2.92782155      1.18723721      0.00321520
+C      2.35610259      2.46430859     -0.01084660
+C      3.37810396      3.37768590     -0.00063321
+C      4.61561697      2.64586219      0.02012894
+C      4.31696507      1.30666977      0.02203614
+H      1.10871119      0.17342588     -0.01833149
+H      1.27815079      2.58577425     -0.02651722
+H      3.26381607      4.45753280     -0.00708473
+H      5.61540868      3.07002562      0.03230027
+H      4.93399969      0.41598598      0.03476828 
+
+16
+-1647.9696998293473 10.673841 11.53249 -8.9585 -6.9898 -10.084 0.7456 -0.1937 0.499 9.71622 0.12506 4.3684979268 13.0065529524 0.409914039
+O      1.59346223     -0.05232927      1.21559513
+C      2.48575924      0.07448371      0.37797247
+N      2.98147519      1.26463030     -0.05265737
+C      2.51792591      2.55063538      0.49491553
+C      3.29841152      3.58918585     -0.32417562
+C      4.58166590      2.84415258     -0.72779405
+C      4.07442491      1.42777320     -1.02308403
+H      2.98266737     -0.79357336     -0.11658246
+H      2.75544263      2.60076930      1.57028596
+H      1.42706742      2.63963885      0.39513317
+H      2.72772486      3.86805205     -1.22360511
+H      3.49358908      4.50690188      0.24553405
+H      5.09313399      3.29478744     -1.58848577
+H      5.28879426      2.81926135      0.11592731
+H      3.69497270      1.35716654     -2.05840584
+H      4.84121282      0.65274420     -0.88392337 
+
+14
+-1505.2485985797862 10.475371 10.96709 -9.0239 -6.9805 -9.306 1.4577 -0.2355 0.465 9.75994 0.16047 4.36802678 6.0096510144 0.247503492
+O      2.81516877     -0.99254833     -0.09261955
+C      2.36568387      0.10601059      0.22781250
+N      2.98097201      1.29372571     -0.01379424
+C      4.27893702      1.37880002     -0.70059866
+C      4.52387647      2.85996274     -0.72345134
+C      3.52732669      3.53716173     -0.14187050
+C      2.45289719      2.61519081      0.36455786
+H      1.39205477      0.23505801      0.75708072
+H      4.22124882      0.93127429     -1.70837330
+H      5.05374360      0.81766619     -0.14920841
+H      5.41683154      3.29680579     -1.16832668
+H      3.46430183      4.61850956     -0.02923074
+H      2.31360229      2.70162814      1.45750385
+H      1.47590512      2.81611475     -0.11136149 
+
+14
+-1506.9266085661868 10.956658 11.02715 -8.2337 -6.2776 -8.695 1.1423 -0.5252 0.175 8.22593 0.50052 4.2954825714 4.8234149594 0.325269766
+O      1.15044693      0.00117499     -0.72434730
+C      2.27474476      0.08493220     -0.23804432
+N      2.93578006      1.25912971      0.01575160
+C      4.29471253      1.36587668      0.60259829
+C      4.55841274      2.89686259      0.67413452
+C      3.29464002      3.50295475      0.10862631
+C      2.42605067      2.54188446     -0.24162907
+H      2.88374481     -0.80205928      0.05060462
+H      5.02294111      0.85037919     -0.03903414
+H      4.31321467      0.89619451      1.59598862
+H      5.44722027      3.18175767      0.08900366
+H      4.74422955      3.22708244      1.70852520
+H      3.12204246      4.57081008      0.00395794
+H      1.43238943      2.61571002     -0.67499594 
+
+11
+-1248.017866376894 9.811825 9.71757 -9.8462 -7.9221 -9.849 0.0767 -1.711 -0.76 9.16665 1.15616 4.0708075408 5.1577432084 0.24294028
+O      2.75442595     -1.10523011      0.03549154
+C      2.24267786     -0.01341814     -0.00426212
+N      2.94284319      1.21606991      0.00476639
+C      2.35054088      2.46675774     -0.04159953
+C      3.37359728      3.38148756     -0.01322406
+C      4.55952768      2.59201418      0.05065664
+N      4.30701696      1.28717479      0.06167986
+H      1.14678168      0.17283893     -0.05440337
+H      1.27233001      2.58121900     -0.08948921
+H      3.28923584      4.46285359     -0.03488891
+H      5.59143269      2.93333254      0.08894277 
+
+15
+-1501.8359317545692 10.178566 10.76251 -9.0601 -7.1365 -10.163 0.6893 -0.3093 0.347 9.47146 0.25819 4.3059593884 5.8384139498 0.167637671
+O      2.04591129     -0.06643458      1.42645088
+C      2.70890825      0.10138008      0.40894777
+N      2.74712887      1.27962733     -0.29857930
+C      2.35139624      2.56451912      0.32396077
+C      3.39921081      3.56476218     -0.21093056
+C      4.49247103      2.65012000     -0.79755083
+N      3.77820780      1.44731507     -1.27261094
+H      3.32575591     -0.68203656     -0.08235388
+H      2.37414166      2.43407628      1.41528959
+H      1.32660796      2.83877691      0.03560267
+H      2.96499345      4.19267332     -1.00303957
+H      3.77689915      4.22965264      0.57724096
+H      5.05435897      3.10321956     -1.62492911
+H      5.20592501      2.33799772     -0.01884002
+H      3.31087359      1.67853092     -2.15854843 
+
+13
+-1367.909104950967 10.257949 10.31395 -8.7666 -6.8357 -9.377 0.824 -0.919 0.041 8.81614 0.50936 4.2791660138 5.040960795 0.356740836
+O      1.09873991      0.00671694     -0.58610950
+C      2.24379417      0.10740653     -0.17918734
+N      2.92740581      1.27845124      0.07626984
+C      4.33020137      1.35068499      0.57340842
+C      4.56215726      2.87406373      0.67357778
+C      3.23103778      3.41387382      0.20790722
+N      2.35767299      2.52235644     -0.11158173
+H      2.90054599     -0.76749903      0.04242422
+H      5.01249739      0.86663071     -0.13846569
+H      4.41680005      0.84645002      1.54541434
+H      5.38443360      3.22281126      0.03081994
+H      4.79302029      3.20315606      1.69794686
+H      2.97271340      4.46943728      0.12852565 
+
+14
+-1416.0367156208501 9.54628 10.12442 -9.1327 -7.2149 -10.603 1.286 -0.2004 0.089 9.90999 0.49881 4.2397136686 5.9897760586 0.15557194
+O      1.41391022     -0.02729534      0.29590071
+C      2.55851007      0.21358018     -0.06787108
+N      3.29860243      1.28366726      0.39382647
+C      2.68021857      2.53928621      0.83567354
+C      3.27365184      3.60350665     -0.12384798
+C      4.10714262      2.76165974     -1.09879496
+O      4.48340276      1.58677528     -0.33859062
+H      3.16262160     -0.42883310     -0.74493016
+H      2.94313070      2.74436820      1.88190550
+H      1.59191290      2.41520889      0.75803378
+H      2.49307967      4.17472648     -0.64211890
+H      3.90989810      4.30626806      0.42883877
+H      3.51661955      2.45560021     -1.98069352
+H      5.04242896      3.23487128     -1.42204155 
+
+11
+-1259.6327680271843 9.599557 9.61563 -9.4567 -7.401 -9.089 -0.011 -1.833 -0.762 8.61788 1.2279 4.088376357 6.2185054314 0.497920299
+O      2.74957957     -1.11333470      0.02009738
+C      2.21072920     -0.02828163      0.00087800
+N      2.90763920      1.19427913      0.00418178
+C      2.34370889      2.47448347     -0.01729907
+C      3.40482250      3.33683335     -0.00392750
+N      4.61213551      2.64239265      0.02507269
+C      4.28973451      1.37226062      0.02934595
+H      1.11024709      0.12442545     -0.02166830
+H      1.27020142      2.62541788     -0.03918958
+H      3.38168351      4.42265961     -0.01330647
+H      4.96346860      0.52162416      0.04928512 
+
+13
+-1386.0534175780474 9.993791 10.20543 -9.1672 -7.2124 -9.819 0.7524 -1.0454 -0.292 10.16101 0.8134 4.209138721 5.2906562004 0.300998908
+O      1.13323681      0.02852744     -0.68400944
+C      2.26600647      0.07658192     -0.22492020
+N      2.95376573      1.24153695      0.04827909
+C      4.32175232      1.34501028      0.59833502
+C      4.50047226      2.89122254      0.67158131
+N      3.25842368      3.50077674      0.15831266
+C      2.46924080      2.54320109     -0.15765294
+H      2.86666607     -0.82749305      0.02225115
+H      5.04564013      0.86609946     -0.07548365
+H      4.37951700      0.86342695      1.58412714
+H      5.34914051      3.23973820      0.06508307
+H      4.67176164      3.24034817      1.70049229
+H      1.46650658      2.66244331     -0.56733550 
+
+12
+-1305.2362682357798 9.28563 9.95307 -9.7728 -7.7845 -10.955 0.2996 -1.6 -0.259 10.23604 1.0263 3.7394673544 6.1335378256 0.191861886
+O      1.25216265      0.04223178      0.73644038
+C      2.36260060      0.09128242      0.22056638
+N      3.14714026      1.20706698      0.19528898
+C      2.70867386      2.59451248      0.45045848
+C      3.88772389      3.03719536     -0.43627065
+O      4.34170760      4.09602297     -0.78085467
+C      4.27150410      1.56049113     -0.70080509
+H      2.86092924     -0.78219118     -0.26136336
+H      2.76397162      2.91422985      1.50217596
+H      1.70777398      2.82621798      0.05132172
+H      4.15253128      1.24323481     -1.74923023
+H      5.26952093      1.27627541     -0.33282790 
+
+13
+-1358.4115692104226 10.506316 10.40134 -8.3721 -6.4292 -8.821 0.9742 -0.706 0.112 8.37482 0.54817 4.3075340106 4.8515349842 0.312395081
+O      1.10174339     -0.01012136     -0.43529238
+C      2.23845505      0.11322954      0.00705834
+N      2.97086917      1.27557954     -0.07159509
+N      4.29575804      1.37669612      0.49364413
+C      4.43198860      2.82956917      0.80880906
+C      3.35851627      3.49651020     -0.02549534
+C      2.51625898      2.54618459     -0.46188277
+H      2.82271493     -0.69346609      0.49878567
+H      4.92768088      1.19003222     -0.29613094
+H      5.45791009      3.15146906      0.58317947
+H      4.25804889      3.00076621      1.88783439
+H      3.23612742      4.56801201     -0.15461937
+H      1.57479829      2.61590880     -0.99900517 
+
+12
+-1272.684998952559 10.148744 9.88268 -8.2197 -6.2646 -8.94 0.7952 -0.8938 -0.053 8.51279 0.69446 4.3208377084 4.837251797 0.338557153
+O      1.20093907     -0.08039708     -0.66724624
+C      2.26985048      0.08422753     -0.08471465
+N      2.84639161      1.31707758      0.07692872
+O      4.09767543      1.41852167      0.77049645
+C      4.44182649      2.83878451      0.77464517
+C      3.31338752      3.51013880      0.04800382
+C      2.42830765      2.57477079     -0.32708344
+H      2.88852324     -0.71554234      0.37078006
+H      5.41998600      2.95763362      0.27317237
+H      4.54341072      3.16522748      1.82607303
+H      3.24174933      4.57711697     -0.13484326
+H      1.48938245      2.64775047     -0.86715203 
+
+16
+-1633.2892000996783 11.034813 12.08878 -9.3239 -7.3702 -10.449 0.7957 -0.1195 0.414 9.87617 0.17687 4.3539295718 6.1900258472 0.239819533
+O      1.31251871      0.60037382      2.55152865
+C      2.19764548      0.96678618      1.78812240
+N      3.48136241      0.49397716      1.78562386
+C      4.53293012      0.93523381      0.90084001
+C      5.87969218      1.43453480      1.49460985
+C      6.59644289      0.76891989      0.28807485
+C      5.33250106     -0.10699593      0.06964883
+H      2.03960664      1.74052743      0.99920679
+H      3.69408477     -0.21540273      2.48744392
+H      4.09875998      1.70029716      0.23841624
+H      6.10664027      0.90752191      2.43388965
+H      5.99993137      2.51446693      1.65534791
+H      6.74835951      1.47874734     -0.53707408
+H      7.54332877      0.25122953      0.48544889
+H      4.99716775     -0.30951715     -0.95649000
+H      5.40846806     -1.06092014      0.61304223 
+
+15
+-1498.4686764272194 10.512614 11.33167 -9.2183 -7.0342 -10.506 0.6858 -0.3274 0.335 9.96316 0.24925 4.3474079082 6.1803177434 0.236467344
+O      0.69579622      0.94781093     -0.21731857
+C      1.88346124      1.14308382     -0.43851289
+N      2.91233182      0.72632987      0.36363717
+C      4.31283240      0.95254176      0.10846069
+C      5.20343615      1.57508325      1.21796663
+N      6.25353540      0.52816182      0.99494447
+C      5.30144934     -0.24516075      0.13262805
+H      2.25464153      1.69299938     -1.33677385
+H      2.63941546      0.21719298      1.20519088
+H      4.38790324      1.51722591     -0.83287011
+H      4.76058487      1.47836413      2.22364695
+H      5.52238355      2.61796060      1.07573477
+H      7.01129455      0.90916401      0.42444430
+H      5.69487880     -0.58677152     -0.83578588
+H      4.90049543     -1.11799619      0.67497740 
+
+14
+-1431.5164747037195 9.694545 10.52093 -9.8758 -7.6398 -10.632 0.67 -0.3232 0.171 10.09177 0.4078 4.314898779 9.1830478872 0.202448296
+O      1.85792551      2.35060324     -0.68306579
+C      1.85460923      1.48538217      0.18305515
+N      2.96974770      0.87779219      0.70399451
+C      4.31365419      1.18856537      0.28511730
+C      5.37845448      1.50587997      1.35950161
+O      6.31362428      0.57311159      0.74782284
+C      5.26263259      0.03155448     -0.10098282
+H      0.92090130      1.09389750      0.64821417
+H      2.82885783      0.17244254      1.42404846
+H      4.23250013      1.96144482     -0.48792719
+H      5.08800904      1.18760310      2.37811031
+H      5.77592027      2.53144062      1.39136570
+H      5.57375772     -0.03863330     -1.15401297
+H      4.91916572     -0.95875431      0.25201871 
+
+16
+-1630.9125511082323 10.953056 12.08793 -9.4529 -7.3957 -10.554 0.7696 -0.1599 0.365 9.89885 0.20724 4.3329883364 6.2258454026 0.211534657
+O      2.85493547     -0.13540620      0.20513265
+C      2.64309963      0.87834440      0.86273862
+N      2.96587527      2.15141119      0.48766906
+C      3.65599011      2.47582233     -0.75780969
+C      4.89446117      3.31014572     -0.52637070
+C      5.38392797      4.22526628     -1.62125354
+C      4.77500540      4.81162688     -0.36895934
+H      2.14908282      0.85851991      1.86237068
+H      2.75496060      2.90572779      1.13643753
+H      2.96966773      3.00951245     -1.43908277
+H      3.90275329      1.51256795     -1.22589321
+H      5.66295856      2.82044700      0.07692504
+H      4.79696050      4.27302858     -2.54026376
+H      6.45976377      4.32026180     -1.76640513
+H      5.43582496      5.31152401      0.33949278
+H      3.78125275      5.25640990     -0.45501823 
+
+15
+-1500.9557684846009 10.425111 11.37391 -9.4006 -7.3654 -10.515 0.82 -0.1593 0.352 9.92526 0.21876 4.3477178732 9.4787049028 0.234442228
+O      3.04180702     -0.66925661      1.30029448
+C      2.44433095      0.13817637      0.59530488
+N      3.02525637      1.00893949     -0.28126144
+C      4.46575229      1.11837672     -0.47317714
+C      4.98345581      2.47435762     -0.05150897
+C      6.06062892      3.15887620     -0.81268671
+N      4.65116331      3.58283204     -0.97866019
+H      1.33422892      0.23785331      0.59819174
+H      2.42858589      1.65593524     -0.79077537
+H      4.71039831      0.94718256     -1.53373392
+H      4.92325444      0.31831209      0.12536565
+H      4.92451189      2.67799921      1.02239428
+H      6.49414765      2.67070379     -1.68925158
+H      6.74553945      3.80573902     -0.26011495
+H      4.48991876      4.44281295     -0.44525076 
+
+14
+-1432.4516585884494 9.731258 10.73957 -9.7227 -7.6452 -10.675 0.969 -0.0308 0.282 10.01158 0.28946 4.3522061664 6.2310156188 0.209652347
+O      3.75433184      0.45037522      1.78142516
+C      3.22354262      1.54395029      1.61909801
+N      3.36747626      2.33662304      0.51440252
+C      4.21770546      1.98095228     -0.61377109
+C      5.35351469      2.95927581     -0.78365495
+C      5.83244721      3.35829848     -2.11584718
+O      4.99659926      4.24538454     -1.34484333
+H      2.54875504      2.00896194      2.37365251
+H      2.90067345      3.23993839      0.50211407
+H      3.62139499      1.94144122     -1.53922816
+H      4.60663130      0.97401079     -0.40232117
+H      6.04967027      3.02370199      0.06141886
+H      5.36012097      2.93023352     -3.00668310
+H      6.86976664      3.68498251     -2.23773215 
+
+12
+-1339.7273423086676 12.936543 12.32415 -8.5297 -6.622 -8.646 0.2812 -1.34 -0.352 8.24165 0.90445 4.0529907526 11.3140572622 0.489601664
+O      0.88307911      0.03978433     -0.02313195
+C      2.10314043      0.03854169     -0.02306850
+N      2.87428071      1.18628691     -0.01132153
+C      4.25917587      1.21048451     -0.01112018
+C      5.00705465      2.34031680     -0.00000676
+C      6.41829111      2.33239983     -0.00015848
+C      7.63620558      2.37066914      0.00010894
+H      2.72461031     -0.88503292     -0.03235427
+H      2.35433627      2.06561342     -0.00250068
+H      4.72955538      0.22575714     -0.02088332
+H      4.51288352      3.31743916      0.00967275
+H      8.70646706      2.39534000      0.00026398 
+
+14
+-1477.0116487223363 10.908409 11.75217 -9.5947 -7.5505 -10.109 0.8144 -0.1472 0.294 9.97655 0.27331 4.3305458122 10.755351549 0.636679436
+O      2.69474256      0.47819847     -2.25364773
+C      2.15941292      0.94201793     -1.25228600
+N      2.80944362      1.32108497     -0.11028868
+C      4.25649779      1.29525395      0.01882371
+C      4.87917487      2.70806828      0.01915787
+C      4.39539524      3.53392229      1.11899107
+C      3.95488726      4.18404360      2.04533222
+H      1.05839552      1.09009170     -1.16667343
+H      2.26750159      1.76793524      0.62588395
+H      4.63564048      0.72579676     -0.83952086
+H      4.53513364      0.76810170      0.94366546
+H      4.65684273      3.20043224     -0.94116082
+H      5.97544457      2.61112379      0.08341828
+H      3.58997719      4.77772908      2.85868497 
+
+11
+-1249.108098952371 11.345971 11.02072 -9.4758 -7.5525 -9.628 -0.2239 -1.9201 -0.925 9.11627 1.29265 4.2054935326 4.7648811688 0.549531579
+O      0.88708445      0.37007617      1.16500613
+C      2.10347968      0.37052349      1.16357119
+N      2.86841355      1.36740992      0.57010554
+C      4.24537534      1.39209625      0.55962102
+C      4.99444406      2.36535091     -0.01248284
+C      6.40908305      2.32928264      0.01338514
+N      7.58058551      2.32737365      0.01828596
+H      2.73202268     -0.41894180      1.63211222
+H      2.34111750      2.12054702      0.12405287
+H      4.71862303      0.54578198      1.06091171
+H      4.53155115      3.21681977     -0.51648892 
+
+13
+-1387.7536301697783 9.707969 10.54369 -10.042 -7.9485 -10.94 0.8108 -0.3694 0.072 10.22809 0.48534 4.3263426868 6.2606234756 0.181551085
+O      2.56897963      2.08260126      2.40834771
+C      2.08517902      1.67680073      1.35759229
+N      2.81505176      1.27743510      0.26978954
+C      4.26337142      1.37148909      0.24873398
+C      4.77677020      2.74878758     -0.23300647
+C      4.36454888      3.03509411     -1.60276723
+N      4.00644178      3.21572200     -2.69831262
+H      0.99001388      1.57645237      1.18628169
+H      2.31990013      1.05581092     -0.59029771
+H      4.66493886      0.57413366     -0.39029553
+H      4.61715879      1.21517555      1.27602225
+H      5.87591891      2.77596374     -0.17732162
+H      4.39190675      3.53553388      0.43290371 
+
+12
+-1317.9018041870727 11.301762 10.7099 -9.4914 -7.4839 -9.855 -0.3841 -2.1346 -1.206 9.52923 1.65117 3.4416405838 4.7472751568 0.686605647
+O      2.35774700      3.68692033      0.98933195
+C      2.72308506      3.72996167     -0.17093955
+N      3.88637578      3.13275985     -0.65215722
+C      4.76037916      2.41996590      0.14236855
+C      5.89820844      1.82790363     -0.29117736
+C      6.74317777      1.09938353      0.64724275
+O      7.78816501      0.53279130      0.34621398
+H      2.16796622      4.25203616     -0.97999508
+H      4.09277577      3.23421874     -1.64509780
+H      4.44802631      2.37057677      1.18834753
+H      6.22248696      1.86947430     -1.33436952
+H      6.36497651      1.08781781      1.70295177 
+
+13
+-1353.534660011499 10.73086 11.05768 -9.3361 -7.3911 -10.356 0.1997 -1.4941 -0.408 9.63806 0.9806 3.8932595888 5.4577769298 0.300765506
+O      2.43017570     -0.52415434     -0.68146626
+C      2.41384790      0.58484116     -1.19887366
+N      3.08382262      1.72477702     -0.73957803
+C      4.23965875      1.53352099     -0.18888603
+N      4.90073408      2.51573226      0.49600451
+C      6.18828053      3.09371146      0.12632930
+C      4.92286275      3.91400148      0.12174436
+H      1.79723867      0.80529991     -2.09821816
+H      4.74867950      0.55686389     -0.18943509
+H      6.60635046      2.80771552     -0.84210503
+H      6.90532964      3.21206594      0.94119762
+H      4.74841307      4.62334904      0.93293613
+H      4.47122634      4.16505568     -0.84062966 
+
+10
+-1161.1724810553856 9.702068 10.13442 -10.2596 -8.2068 -11.286 -0.5397 -2.3894 -1.228 10.40358 1.74599 3.8138837516 6.12242868 0.263984262
+O      0.83562575      1.23185640     -0.00477315
+C      1.98051893      0.81955112     -0.00348595
+N      3.08301838      1.67775639     -0.00244001
+C      4.41816453      1.24858916     -0.00078317
+O      4.75139857      0.07220540     -0.00012155
+C      5.37045247      2.34326243     -0.00001654
+C      6.20104025      3.22846789      0.00056008
+H      2.27484895     -0.24698437     -0.00285991
+H      2.88499733      2.67969792     -0.00287275
+H      6.94228483      4.00307766      0.00107294 
+
+15
+-1483.4593501392255 10.66195 11.35357 -9.5639 -7.4638 -10.59 0.7744 -0.1736 0.432 9.91976 0.14157 4.3784168068 6.2450632326 0.228783231
+O      1.72633136     -0.69024992      2.98177367
+C      2.41097876     -0.09658472      2.15969132
+N      3.76500449     -0.27368859      2.01454427
+N      4.49343927      0.42109671      1.05965678
+C      5.69742415      1.17996582      1.50563003
+C      6.37744472      0.77471066      0.17647995
+C      5.32908184     -0.36050799      0.10277606
+H      2.02771321      0.65451556      1.43350390
+H      4.23096571     -0.95109756      2.63253118
+H      6.18707749      0.70668182      2.37802580
+H      5.51653329      2.24337200      1.71660973
+H      6.23686231      1.52491213     -0.61056525
+H      7.42971642      0.47739146      0.22670482
+H      4.84068893     -0.58176179     -0.85669684
+H      5.70722806     -1.29867561      0.55180459 
+
+15
+-1484.4371884439029 10.536951 11.26663 -9.1123 -7.0899 -10.308 0.8213 -0.1143 0.21 10.05029 0.34372 4.3093070104 11.9107522858 0.276135951
+O      2.16345792      1.60946591      0.02574320
+C      3.29380378      1.18127715      0.24314783
+N      4.44044640      1.90495412      0.07496749
+N      4.41908541      3.17637197     -0.55218229
+C      4.46980970      4.25523513      0.42307327
+C      5.83032111      4.78799317      0.79271559
+C      4.91608033      5.59269457     -0.10385715
+H      3.50886068      0.14824659      0.59923708
+H      5.33598334      1.42168621      0.05143318
+H      3.51176201      3.21163447     -1.03475079
+H      3.70201665      4.24604077      1.20461984
+H      6.69064102      4.31344896      0.31986234
+H      5.98541835      5.12211382      1.81840032
+H      4.43399118      6.48352648      0.29736060
+H      5.17633210      5.63906067     -1.16133050 
+
+11
+-1196.502672046448 12.388292 11.46252 -9.003 -7.214 -9.385 -0.3081 -1.9957 -0.797 8.94455 1.34731 3.9214044108 4.3661421928 0.394696485
+O      0.73909858      2.32120486      0.26454055
+C      1.82771552      1.78099745      0.16490119
+N      3.02162690      2.48281413      0.21121209
+N      4.20095649      1.83703516      0.09596923
+C      5.27639062      2.56316747      0.14911416
+C      6.55862940      1.97985512      0.03795877
+C      7.69901875      1.56427062     -0.04872714
+H      2.00255299      0.69355900      0.02856592
+H      2.96849320      3.50342147      0.33557816
+H      5.23219458      3.65730451      0.28217896
+H      8.69323297      1.17365022     -0.12755187 
+
+13
+-1326.647184397077 10.582751 11.19675 -9.5129 -7.4203 -9.929 0.7832 -0.2075 0.11 10.17725 0.44169 4.2958173336 10.9080031122 0.271318329
+O      4.17604491      2.23255443     -3.09131916
+C      3.12005495      2.48113314     -2.52150787
+N      2.94952329      2.46138914     -1.16169054
+N      3.94859594      1.97168465     -0.29294162
+C      4.86269984      3.07616997      0.11800201
+C      5.96840377      2.55145901      0.90671355
+C      6.89840577      2.10830208      1.54665335
+H      2.17547380      2.75077719     -3.04738068
+H      2.00465665      2.45577904     -0.78153902
+H      4.50296026      1.30648263     -0.84736423
+H      4.27573748      3.78531688      0.72293282
+H      5.25906974      3.62611193     -0.75486715
+H      7.71892360      1.71984992      2.11471854 
+
+14
+-1395.4262935107206 10.079584 10.8032 -9.7344 -7.7038 -11.016 1.713 -0.2265 0.065 10.23818 0.47866 4.2184128738 11.6618379922 0.273381712
+O      4.20513395      0.26273830      1.91283649
+C      4.14191493      1.44218268      1.59806623
+N      4.70991350      1.94796473      0.44918553
+O      4.21840832      3.20235966      0.00098306
+C      5.30009563      4.11435252     -0.15289914
+C      6.04825798      4.13395014     -1.45866813
+C      5.03791255      5.21771783     -1.12545499
+H      3.67376183      2.24402995      2.21094441
+H      4.88761458      1.29175984     -0.31656173
+H      5.83696771      4.32091340      0.77657037
+H      5.75109792      3.40540453     -2.21340659
+H      7.11114620      4.37467059     -1.43815735
+H      5.39111718      6.21616326     -0.86952647
+H      4.08554771      5.18408258     -1.65477167 
+
+12
+-1237.1963646536244 10.252738 10.83786 -10.01 -7.9195 -10.344 1.3352 -0.5232 -0.034 10.34185 0.57905 4.2062746444 10.6503850014 0.429279436
+O      0.81852369      0.94450604     -1.13594957
+C      2.02776564      1.04582581     -1.00430119
+N      2.61736637      1.80511302     -0.01116655
+O      3.96647157      1.51401315      0.29088243
+C      4.77331646      2.69836723      0.01282271
+C      6.15656714      2.39343942      0.32638048
+C      7.31817442      2.16236225      0.58447170
+H      2.78795329      0.59346703     -1.67919557
+H      2.05787465      1.98397417      0.82821779
+H      4.41213019      3.54059337      0.62802967
+H      4.66261085      2.97397151     -1.04941066
+H      8.34395572      1.95510699      0.81353876 
+
+14
+-1445.7940920953417 9.301766 10.17713 -9.5993 -7.4936 -10.878 0.6038 -0.4407 0.2 10.1639 0.43032 4.3022150112 13.1112467308 0.133828876
+O      1.26521137      0.10201475      0.88799558
+C      2.02338983      0.20355304     -0.22745407
+O      1.80422638     -0.40887966     -1.25265602
+C      3.16228610      1.20992983     -0.07019107
+C      2.86845145      2.65712559     -0.56860365
+C      3.37012073      3.13930420      0.81394805
+N      3.28009667      1.73450360      1.32358330
+H      1.71177299      0.73289158      1.52734878
+H      4.08256451      0.78484058     -0.49884839
+H      1.80022087      2.83856821     -0.73856516
+H      3.43616164      2.98558695     -1.44478872
+H      4.40163970      3.52370844      0.77826631
+H      2.73904873      3.85164471      1.36396484
+H      4.09692902      1.40765818      1.84492022 
+
+14
+-1427.919087737715 9.481789 10.32344 -9.135 -6.937 -10.408 1.5975 -0.3617 -0.209 10.85818 0.73336 4.3805865618 12.7087633776 0.135886863
+O      1.90456858      0.32571643      1.17516483
+C      2.30282904      1.13748991      1.98311309
+O      3.49757247      1.77370565      1.95435032
+C      4.35350135      1.43467315      0.83244879
+C      5.67742656      2.20750248      0.80095815
+N      6.42568374      0.92823321      0.53571350
+C      5.19527830      0.14828541      0.91387738
+H      1.74090724      1.48206678      2.87346406
+H      3.76679231      1.50189157     -0.09409820
+H      5.94768438      2.61393893      1.78819077
+H      5.78443873      2.99650221      0.04391776
+H      6.58666350      0.83472962     -0.47048813
+H      4.91343824     -0.67421020      0.24364041
+H      5.28220556     -0.23431514      1.94324726 
+
+14
+-1442.3371753490255 9.300932 10.09156 -9.8007 -7.6824 -10.927 0.5704 -0.4373 0.237 10.12817 0.38422 4.3355176508 12.6011683268 0.164021991
+O      1.03231703      0.63708712      0.85167447
+C      2.01300170      0.13586126      0.05435946
+O      1.91479940     -0.95331556     -0.47262325
+C      3.22916218      1.04604467     -0.11778158
+C      2.82709050      2.51663296     -0.43290117
+N      2.75740547      2.74424502      1.04203991
+C      3.72958061      1.62671030      1.23716445
+H      1.33916238      1.53772326      1.16561732
+H      3.95576403      0.55561808     -0.77168472
+H      1.88817466      2.69478984     -0.97623283
+H      3.65514907      3.05539552     -0.92509180
+H      3.03871264      3.66704777      1.38176211
+H      4.78519137      1.94109032      1.16611787
+H      3.57634896      1.03017942      2.14776976 
+
+14
+-1427.5761316042624 9.42915 10.29855 -9.8517 -7.618 -11.163 1.8595 -0.2219 -0.229 10.87361 0.73813 4.375837898 11.726409901 0.189291237
+O      5.23719284      0.35036998     -1.23743046
+C      4.97583817      0.46198921     -0.05908288
+O      4.60378275      1.59018071      0.59021860
+C      4.51233370      2.80573096     -0.21872819
+C      5.79788412      3.58971569     -0.16097050
+C      6.86347319      3.40225403     -1.18268245
+N      5.95244567      4.56550273     -1.26136007
+H      4.99459087     -0.36684069      0.67574111
+H      3.68335932      3.37062290      0.22803923
+H      4.27024531      2.54441801     -1.25667352
+H      6.11470797      3.88913243      0.84317424
+H      6.71868766      2.65559855     -1.96589398
+H      7.89783833      3.56316629     -0.86962725
+H      6.42408011      5.40452920     -0.91104388 
+
+14
+-1443.7877200123426 9.40661 10.36497 -9.7196 -7.6131 -11.119 0.6173 -0.432 0.252 10.14661 0.36882 4.319424268 12.7891559 0.169125818
+O      2.34302114     -1.09315146     -1.07860994
+C      2.12944834      0.17457347     -0.65218443
+O      1.31298507      0.90222181     -1.17813591
+C      2.95138212      0.58361775      0.57989461
+C      4.41805056      0.19454311      0.52564850
+C      5.04535111     -0.64562553      1.58122466
+N      4.67401206     -1.25440402      0.28571187
+H      3.10829733     -1.46796806     -0.55096811
+H      2.47251407      0.10028722      1.44724852
+H      2.84263739      1.66732326      0.70900812
+H      5.07204155      0.89422678     -0.00172622
+H      4.43912269     -0.97274464      2.42872331
+H      6.10764915     -0.51111771      1.79344058
+H      5.50026742     -1.38121198     -0.30526554 
+
+14
+-1436.0738525137428 9.532686 10.4626 -9.8459 -7.7286 -11.102 0.7468 -0.1864 0.247 10.20185 0.36422 4.3149359748 12.842965824 0.23379841
+O      1.31120752     -0.68799191     -0.44594769
+C      1.81013480      0.02956242     -1.47972311
+O      1.48361297     -0.14964740     -2.63284504
+C      2.79999635      1.11836853     -1.04371561
+N      3.22245722      0.89413580      0.34098240
+C      4.58977551      0.38323595      0.54360701
+C      4.24822064      1.79413512      0.88317776
+H      1.77246350     -0.32016178      0.35668820
+H      2.26368909      2.07890749     -1.10241466
+H      3.62878602      1.15267830     -1.77236329
+H      5.19639778      0.21044567     -0.34998587
+H      4.69958339     -0.35911543      1.33602368
+H      4.10758870      2.09001847      1.92437654
+H      4.62956654      2.57537876      0.21976968 
+
+10
+-1108.8042133255422 10.658112 10.38029 -9.9508 -8.0002 -10.178 -0.3829 -2.1795 -0.694 9.67738 1.23566 3.8861427924 6.1407910066 0.458370995
+O      2.67114950      3.48318594      1.14200529
+C      3.19372104      4.10692991      0.26038040
+O      4.42186582      3.87178620     -0.33393608
+N      5.09305204      2.73298980      0.21045618
+C      6.22554291      2.61382275     -0.40350742
+C      7.10087244      1.55655369     -0.06142458
+C      7.90695120      0.67615350      0.16726157
+H      2.78701104      5.00185216     -0.25190775
+H      6.53296486      3.31537501     -1.19081895
+H      8.60252916     -0.10801897      0.38835134 
+
+13
+-1342.7132148139804 10.458625 10.33209 -7.7344 -5.8891 -8.693 1.139 -0.4906 0.536 8.11998 0.05985 4.758334708 8.656950492 0.158526574
+O      1.16884622      0.09963464     -0.38293041
+N      2.55981995     -0.01519016     -0.30414599
+C      3.20660710     -1.16879662      0.15525862
+C      4.45940083     -0.86227824      0.55034863
+C      4.65896235      0.63250067      0.40941099
+C      3.28098927      1.12716708     -0.01266981
+N      2.66547561      2.26031286     -0.06884566
+H      1.08606986      1.09202888     -0.30086354
+H      2.70214846     -2.12767955      0.07786602
+H      5.23324773     -1.57323409      0.82112967
+H      4.98404127      1.12499441      1.33812631
+H      5.40427732      0.87782095     -0.36601533
+H      3.26076403      3.04995915      0.18882050 
+
+13
+-1340.7790274749302 10.483179 10.31808 -8.7752 -6.8977 -9.284 0.4758 -1.1864 -0.139 8.70251 0.60986 4.7161298736 5.3132836454 0.384327282
+O      1.26275112      0.16198004      0.62943127
+N      2.66233118      0.08353197      0.53064686
+C      3.23025887     -1.14082442     -0.04091556
+C      4.54502471     -0.64803432     -0.57494191
+C      4.59873276      0.69472885     -0.52001759
+C      3.34417411      1.22289361      0.04193872
+N      2.97010668      2.45351061      0.05456814
+H      0.93393791      0.37011567     -0.27648884
+H      2.58611615     -1.53898495     -0.84931799
+H      3.33161759     -1.92939162      0.72223550
+H      5.32471458     -1.31876084     -0.93179736
+H      5.40800432      1.34463614     -0.84389269
+H      2.04348004      2.53522923      0.49766144 
+
+15
+-1483.848478529747 10.381557 10.91822 -8.7936 -6.8887 -9.99 0.8363 -0.3156 0.955 9.29678 -0.33116 4.9401229812 6.3924453908 0.151594774
+O      1.22093742     -0.25203894      0.40953855
+N      2.63552911     -0.10046047      0.34216897
+C      3.07823370      1.11583640     -0.35355850
+C      4.57198125      0.81338291     -0.53682734
+C      4.60635417     -0.71097695     -0.77528839
+C      3.30785864     -1.22904566     -0.18635125
+N      2.92345273     -2.44737418     -0.19739307
+H      1.02738715     -0.13441391      1.35891895
+H      2.88176180      2.00509909      0.26045394
+H      2.55237462      1.22582530     -1.32014492
+H      5.00894875      1.38928697     -1.36170223
+H      5.11494180      1.07100476      0.38344936
+H      4.60696445     -0.95944994     -1.84729118
+H      5.47525726     -1.20901047     -0.32661326
+H      1.97376716     -2.51392491      0.19722036 
+
+12
+-1288.6003586833026 9.486722 9.62079 -8.2089 -6.2847 -9.136 0.9601 -0.7338 0.047 8.69238 0.61678 4.4293626542 12.0001461918 0.164838194
+O      1.11831559      0.02155461     -0.34910013
+N      2.46589090     -0.01727384     -0.02203878
+C      3.21635089     -1.18767795      0.12761041
+C      4.48339713     -0.85596882      0.45126003
+C      4.58678460      0.64873759      0.52392755
+C      3.17635221      1.13595416      0.19199974
+O      2.67195731      2.25934527      0.10593417
+H      0.97069787      1.00242323     -0.35195793
+H      2.74123798     -2.15277396     -0.02059849
+H      5.29539541     -1.55270311      0.62908268
+H      4.88034804      1.01687900      1.51921558
+H      5.30305205      1.07039383     -0.19824483 
+
+12
+-1289.4466936981514 9.437904 9.55696 -8.8376 -6.9195 -10.357 0.2183 -1.5002 -0.681 9.69705 1.19785 4.1228940594 11.983804837 0.371899116
+O      1.18186666      0.03422594      0.34983032
+N      2.58388529      0.00928300      0.32162979
+C      3.27197641     -1.20746448     -0.05770737
+C      4.60282239     -0.66448757     -0.50924263
+C      4.57448983      0.68101518     -0.54401064
+C      3.21847280      1.14179780     -0.15796755
+O      2.64934970      2.23377914     -0.25180554
+H      1.02335996      0.99395698      0.14739206
+H      2.73709572     -1.71876900     -0.87711603
+H      3.36207725     -1.91165381      0.78558377
+H      5.45072905     -1.31149154     -0.72590632
+H      5.37012495      1.36162835     -0.83608985 
+
+14
+-1432.7431838420555 9.560297 10.13651 -8.8089 -6.8574 -10.414 0.8144 -0.1937 0.203 9.91937 0.466 4.3270742042 12.4190948858 0.183407866
+O      1.17980064     -0.07265527      0.39557174
+N      2.42691820      0.02906205     -0.23234211
+C      3.20833098      1.24130569     -0.07116087
+C      4.49656751      0.83756471     -0.82412937
+C      4.58693357     -0.69544160     -0.65920385
+C      3.16461705     -1.11781326     -0.33239591
+O      2.67994693     -2.23324684     -0.11613828
+H      1.12066168     -1.06073523      0.49554515
+H      3.38537962      1.45133997      0.99953753
+H      2.69759109      2.10371583     -0.52064258
+H      4.39381301      1.09800509     -1.88617365
+H      5.37289449      1.36449538     -0.42845531
+H      4.96988070     -1.21882605     -1.54444753
+H      5.21889454     -0.98899047      0.19409503 
+
+13
+-1334.9855118529595 10.209057 10.15832 -8.4233 -6.3722 -8.744 1.1904 -0.2641 0.697 8.36587 -0.0928 4.6732927106 7.1066543452 0.167804717
+O      1.09219117     -0.19126756     -0.43432222
+N      2.33982164     -0.10644799      0.27984746
+C      2.97357421      1.15039073      0.11332691
+C      4.29332626      1.24422865      0.33220789
+C      5.04698003      0.00946291      0.74492378
+N      4.44578624     -1.22296646      0.20274328
+C      3.18415181     -1.21251360      0.01502280
+H      0.43848178     -0.27792617      0.28549267
+H      2.31571490      1.95621687     -0.20387552
+H      4.80923354      2.19222723      0.18483644
+H      6.09552224      0.05306323      0.41297439
+H      5.07933929     -0.08699585      1.84819974
+H      2.65123691     -2.08308201     -0.37916762 
+
+15
+-1475.0160431931004 10.411931 10.71816 -8.6421 -6.654 -9.717 0.9001 -0.3158 0.778 9.1265 -0.17171 4.6246654014 6.037250298 0.164935459
+O      0.98863037      0.01026980      0.27633228
+N      2.31849855      0.14458424     -0.26570830
+C      2.99130564      1.32985679      0.26786202
+C      4.41758527      1.31996803     -0.28416315
+C      5.12188479      0.00814842      0.08778431
+N      4.30086836     -1.19904307     -0.03648845
+C      3.03186556     -1.05793690     -0.14810159
+H      0.42112612      0.23138452     -0.48588985
+H      2.43806793      2.22159738     -0.05987601
+H      2.98871652      1.30751594      1.37313742
+H      4.97107739      2.18794189      0.10494571
+H      4.37506964      1.42283282     -1.37968859
+H      5.48732461      0.04705014      1.12926032
+H      6.01851638     -0.13040978     -0.53749795
+H      2.38409285     -1.93962022     -0.21797815 
+
+13
+-1325.3098019929514 9.738869 9.99589 -8.9669 -6.9557 -9.765 0.9623 -0.5697 0.593 9.31348 0.00281999999999 4.7295451588 6.2295649826 0.13684468
+O      1.14434408      0.04388827     -0.49408618
+N      2.37782805     -0.07826695      0.25462817
+C      3.04509659      1.15544654      0.38980136
+N      4.29051354      1.18222871      0.05020228
+C      4.62959595     -0.11674663     -0.46744910
+C      4.53061150     -1.28478873      0.49849327
+C      3.35031974     -0.97180622     -0.36918273
+H      0.50579506     -0.42589276      0.07545399
+H      2.50027964      2.00008035      0.81213110
+H      5.35977020     -0.14450667     -1.27767209
+H      5.09904005     -2.18158661      0.24921792
+H      4.46937976     -1.04863784      1.56294068
+H      2.96132586     -1.65114145     -1.12544868 
+
+13
+-1334.529916021049 10.436389 10.4228 -8.3084 -6.3017 -8.771 0.7906 -0.4355 0.542 8.24399 0.10844 4.920012452 5.6870642396 0.232120129
+O      1.11747344      0.17667810     -0.18601700
+N      2.52600939      0.06886134     -0.28895989
+C      3.14998040     -1.02727147      0.33049251
+N      4.35621603     -0.83077214      0.72039286
+C      4.64080773      0.59322343      0.42291452
+C      3.32483281      1.21052564     -0.02424705
+C      2.94483072      2.48935983     -0.13854245
+H      0.81718031      0.15930280     -1.11582493
+H      2.60526278     -1.97026853      0.39462781
+H      5.07292770      1.08961205      1.30322995
+H      5.39202688      0.64084394     -0.38328173
+H      3.63883918      3.28970267      0.10941032
+H      1.93835264      2.75747233     -0.45523492 
+
+16
+-1611.564570038152 10.95485 11.6867 -9.1551 -7.0876 -10.28 1.3767 -0.0646 0.727 9.65458 -0.00674999999998 5.5349582148 11.6457198122 0.231212667
+O      1.32193725      0.02117202      0.88366997
+N      2.45697971     -0.04098085      0.01355392
+C      2.92216823      1.13427932     -0.20212780
+C      2.44537559      2.45215691      0.36753426
+C      3.34214008      3.50550663     -0.31330331
+C      4.63638765      2.73994815     -0.64943847
+C      4.13204389      1.35173479     -1.08594006
+H      1.09145723     -0.92107205      0.96076236
+H      2.58903150      2.43562433      1.46162257
+H      1.36781863      2.59888943      0.20446278
+H      2.86680645      3.85389463     -1.24459511
+H      3.51640395      4.38957188      0.31509223
+H      5.24447456      3.23609188     -1.41815557
+H      5.25848474      2.64142337      0.25520031
+H      3.80981472      1.38310985     -2.14179923
+H      4.86986583      0.54453972     -0.99199885 
+
+12
+-1329.6055813349492 11.350158 10.60311 -8.6444 -6.6335 -8.747 -0.7708 -2.4116 -1.337 8.09807 1.62489 2.8334272608 4.9478969034 0.426249078
+O      0.89478024     -0.02235145      0.00712128
+N      2.28671267     -0.11586222     -0.00235875
+C      2.85177646      1.05535754     -0.00318942
+C      2.28712303      2.41053270      0.00391007
+C      3.34386724      3.26787287     -0.00100852
+C      4.60722398      2.50370893     -0.01126856
+C      4.32035237      1.17640058     -0.01264698
+H      0.62713637     -0.95994191      0.00655787
+H      1.22827955      2.64692040      0.01149657
+H      3.28470119      4.35553887      0.00202352
+H      5.59946192      2.95072644     -0.01676698
+H      5.00262499      0.33146725     -0.01926010 
+
+14
+-1469.5481653091097 10.744115 11.11367 -9.0766 -6.965 -9.326 1.5579 -0.1193 0.678 8.85573 0.03922 5.5039617148 11.6148472982 0.336217687
+O      1.10382330      0.12912234      0.55611478
+N      2.38973489      0.00158471     -0.05125327
+C      2.96393537      1.14402423     -0.13220816
+C      4.34621683      1.29197729     -0.74616555
+C      4.56959410      2.78227611     -0.67849493
+C      3.54166884      3.42931082     -0.10939537
+C      2.43600123      2.49410879      0.30898290
+H      0.79283859     -0.79321137      0.54182767
+H      4.37934371      0.90032095     -1.77657865
+H      5.10557314      0.72727059     -0.17813831
+H      5.47728952      3.25489988     -1.05471817
+H      3.49034944      4.50766217      0.04499004
+H      2.23856914      2.50796720      1.39584243
+H      1.46437190      2.71496629     -0.16626542 
+
+14
+-1472.3198521988252 11.306927 11.15754 -8.4739 -6.5267 -9.131 0.5717 -1.0503 -0.198 8.56083 0.76419 5.090555195 5.090555195 0.494916653
+O      1.02744935      0.06660844     -0.50040544
+N      2.35610247     -0.04411513      0.00990865
+C      2.90528311      1.11849443      0.12548503
+C      4.32635179      1.26747788      0.64999521
+C      4.58771321      2.79633436      0.62783982
+C      3.30679267      3.38496634      0.09924863
+C      2.37846078      2.44537850     -0.17704871
+H      0.75720163     -0.86764718     -0.52621671
+H      5.03390554      0.71800039      0.01366521
+H      4.41142832      0.84839281      1.66217785
+H      5.44240963      3.06546838     -0.01477552
+H      4.82402730      3.19493124      1.62845167
+H      3.16749621      4.45867184     -0.03695469
+H      1.37807799      2.61692769     -0.56741102 
+
+15
+-1488.1557521918805 10.543036 11.06281 -7.8861 -5.971 -9.537 0.8794 -0.0519 0.88 8.87017 -0.2106 5.7815415716 5.8464606412 0.173849646
+O      1.32351536     -0.00181223      0.76134861
+N      2.41724214     -0.01161039     -0.17952087
+C      2.88052586      1.18569233     -0.30297138
+C      2.48958709      2.44907119      0.42906196
+C      3.35626633      3.53657089     -0.23554152
+C      4.54463566      2.74891711     -0.81173337
+N      3.90852248      1.48408853     -1.19392328
+H      1.06628460     -0.93921730      0.74997312
+H      2.72356384      2.31886080      1.49783614
+H      1.40941290      2.63328330      0.36392208
+H      2.80007717      4.01112706     -1.05687028
+H      3.67439547      4.32273380      0.46081825
+H      4.99821048      3.23634156     -1.68603859
+H      5.33077527      2.60765372     -0.04445483
+H      4.49249533      0.70583964     -1.49211606 
+
+13
+-1350.2878237694297 10.493338 10.51687 -7.6132 -5.7264 -8.539 1.5162 -0.1438 0.637 7.97937 -0.02833 4.8056601642 12.0359781458 0.222027278
+O      1.04260160      0.25885260      0.49026963
+N      2.35556243      0.00176142     -0.05459747
+C      2.97799724      1.12775781     -0.16517720
+C      4.38977699      1.29590384     -0.70481963
+C      4.57930003      2.79787061     -0.65963220
+C      3.46519259      3.36169877     -0.15633907
+N      2.50835677      2.38930972      0.16803931
+H      0.67224254     -0.63888914      0.52313420
+H      4.47758760      0.87949023     -1.72086192
+H      5.11753842      0.75622237     -0.07715887
+H      5.47714572      3.32152428     -0.97081638
+H      3.24659789      4.41131540      0.02551568
+H      1.55756017      2.54811210      0.47906392 
+
+11
+-1215.838104050204 10.846903 9.76297 -8.383 -6.5846 -8.937 -0.9807 -2.6823 -2.081 8.11478 2.90555 1.5796188358 3.3723200112 0.481315379
+O      2.95368855     -1.02773253      0.06525024
+N      2.18900230     -0.03400382      0.04883808
+C      2.84540598      1.18279148      0.03041383
+C      2.28677973      2.47089901      0.00955132
+C      3.35448031      3.38413295     -0.00371053
+C      4.54144624      2.63932292      0.00925009
+N      4.22172166      1.31968299      0.02971074
+H      1.22186971      2.68134756      0.00514073
+H      3.29381626      4.46788063     -0.02083628
+H      5.57530475      2.97252113      0.00505345
+H      4.83624452      0.50751768      0.04307832 
+
+14
+-1415.458578053767 9.761513 10.42731 -8.6044 -6.5816 -10.267 0.8418 -0.0989 0.606 9.68865 0.02579 5.6057542208 6.3211286436 0.186560191
+O      1.27577783      0.02099150      0.65195030
+N      2.35036869      0.04908408     -0.29832828
+C      2.87402048      1.22050041     -0.30395746
+C      2.54245806      2.44630873      0.50701395
+C      3.31628027      3.55086594     -0.23014407
+C      4.45784692      2.76475981     -0.87719398
+O      3.90575642      1.45631422     -1.17582417
+H      0.95957457     -0.89194420      0.54089310
+H      2.89502283      2.30491237      1.54148428
+H      1.45776832      2.60337415      0.55664262
+H      2.68409585      4.00685707     -1.00560021
+H      3.67917851      4.34750927      0.43169661
+H      4.81976161      3.18472197     -1.82397779
+H      5.31148965      2.63775469     -0.18877488 
+
+12
+-1273.8382646874313 9.640958 9.93821 -8.5752 -6.5066 -9.434 1.4067 -0.308 0.466 9.04539 0.13847 5.5055735328 12.4289269756 0.304270208
+O      0.98911317      0.23096200      0.32006471
+N      2.33391129      0.03319946     -0.08822470
+C      2.95365907      1.14127360     -0.24445280
+C      4.39929232      1.27760643     -0.67435321
+C      4.55554909      2.77701756     -0.68363152
+C      3.39124976      3.32282747     -0.31985358
+O      2.38821329      2.39594073     -0.04197464
+H      0.67862414     -0.68901089      0.38789087
+H      4.56981199      0.81825810     -1.66100206
+H      5.07779601      0.77634678      0.03419188
+H      5.46014609      3.31841656     -0.94185517
+H      3.08370379      4.35810219     -0.20126979 
+
+15
+-1478.254552905088 10.550468 11.08778 -8.9227 -6.7858 -10.224 1.2365 -0.1554 0.715 9.69181 -0.00402 5.549117416 6.4452510282 0.171675993
+O      1.22278761      0.00577524      0.78613179
+N      2.39380505     -0.04740238     -0.03025161
+C      2.90185880      1.12016914     -0.16314247
+C      2.45061462      2.43419808      0.42569347
+C      3.38159660      3.44702917     -0.25895299
+N      4.60370233      2.65703644     -0.48931863
+C      4.14440405      1.35323675     -0.99517395
+H      0.96081034     -0.93153108      0.80457177
+H      2.60478567      2.41180350      1.51650288
+H      1.38153709      2.61661756      0.25035161
+H      2.90840769      3.80309384     -1.19899965
+H      3.60122270      4.32371387      0.36651627
+H      5.23583752      3.11582672     -1.14678240
+H      3.85877846      1.36735761     -2.07041231
+H      4.90076147      0.56906555     -0.85273378 
+
+11
+-1211.5885658151967 10.485087 9.77706 -8.0925 -6.2285 -8.935 -0.4301 -2.2268 -1.835 8.16517 2.73802 1.516286787 6.5235977816 0.271121317
+O      2.70081641     -1.08265816      0.02212426
+N      2.08195157     -0.00599878      0.00604695
+C      2.89539917      1.13950495      0.00838216
+C      2.32602907      2.41686440     -0.00840354
+N      3.35021795      3.30988461     -0.00136269
+C      4.57332756      2.63988567      0.01963785
+C      4.32251841      1.29147305      0.02609406
+H      1.28288497      2.71329328     -0.02424846
+H      3.24306001      4.31924011     -0.01003066
+H      5.50452662      3.19719860      0.02788227
+H      5.04515826      0.48302228      0.04149779 
+
+14
+-1408.4466747556394 9.82173 10.45078 -9.4691 -7.3897 -10.485 1.4507 -0.264 0.539 9.89913 0.15248 5.5262915934 6.486079618 0.180656928
+O      1.16672304      0.00367354      0.68774298
+N      2.38417235     -0.03981678     -0.05433633
+C      2.91018262      1.12393071     -0.12802798
+C      2.45074148      2.43441748      0.45841401
+C      3.46936483      3.41671848     -0.14010826
+O      4.65813830      2.64172930     -0.37560436
+C      4.21085236      1.37290578     -0.86384269
+H      0.89582571     -0.93150736      0.66876723
+H      2.51928060      2.38820499      1.55699812
+H      1.40456883      2.65425302      0.20246442
+H      3.09205765      3.83504498     -1.09384709
+H      3.74407791      4.24396523      0.52630440
+H      4.03069664      1.41246927     -1.95792521
+H      4.98330769      0.62087135     -0.65833924 
+
+13
+-1346.3039009246734 11.015274 10.5212 -7.6196 -5.7162 -8.539 0.8009 -0.7676 -0.13 7.94791 0.71596 4.4527960082 4.4527960082 0.335697974
+O      1.00850616      0.05546320     -0.38590788
+N      2.37506590     -0.04587632      0.02814767
+C      2.89814562      1.13402423      0.12132335
+C      4.35470549      1.30202453      0.53982415
+N      4.60850983      2.73448247      0.28343832
+C      3.39228124      3.34505998      0.02303143
+C      2.36796544      2.45932015     -0.12848834
+H      0.75346384     -0.88251847     -0.42050747
+H      5.03378028      0.66436217     -0.04304833
+H      4.48649662      1.06582436      1.60874025
+H      5.26856820      3.21479876      0.88932991
+H      3.35823157      4.42891177     -0.08270183
+H      1.35299983      2.68356317     -0.43484124 
+
+12
+-1274.4754347622154 10.112121 9.87549 -8.2189 -6.2913 -9.187 0.5961 -1.0694 -0.413 8.65386 0.96314 4.8936282312 4.8936282312 0.418530925
+O      0.98199719      0.04904675     -0.31796307
+N      2.34971586     -0.04653738      0.07751467
+C      2.89842514      1.12260099      0.07254749
+C      4.35545773      1.30794095      0.45415346
+O      4.59782294      2.74472860      0.33750445
+C      3.42551605      3.30544122     -0.06713494
+C      2.39619051      2.44445963     -0.24449401
+H      0.70390632     -0.88204196     -0.26834232
+H      5.04911292      0.79458648     -0.22640172
+H      4.57335924      1.01311486      1.49005368
+H      3.46642357      4.38563761     -0.19675637
+H      1.38840254      2.68714224     -0.56003131 
+
+13
+-1346.9590425978417 10.813138 10.53272 -7.7758 -5.8701 -8.965 0.7114 -0.9241 -0.1 8.37243 0.597 5.0039261768 5.0039261768 0.36389839
+O      1.04356022      0.06281743     -0.38485194
+N      2.39458929     -0.03684632      0.09546875
+C      2.94636388      1.13666016      0.09438517
+N      4.27664279      1.32292859      0.48994608
+C      4.55414590      2.74884761      0.64539232
+C      3.33465695      3.39023980      0.04727491
+C      2.41908504      2.45538945     -0.26769976
+H      0.76863042     -0.86864882     -0.34758679
+H      4.66800308      0.66048945      1.15241047
+H      5.47960216      3.04293700      0.11741950
+H      4.67790841      3.04649389      1.70565967
+H      3.24403543      4.46581677     -0.09511699
+H      1.43494641      2.60193499     -0.70218138 
+
+12
+-1274.7066490994 10.099424 9.91778 -8.3397 -6.4082 -9.318 0.4581 -1.2531 -0.367 8.77856 0.85769 5.1194315344 5.1194315344 0.474127598
+O      1.07570361      0.05206383     -0.42919265
+N      2.33274786      0.01717399      0.24990673
+C      2.85208113      1.19842616      0.25412724
+O      4.07599229      1.36039323      0.86971127
+C      4.45186514      2.74941085      0.75548930
+C      3.33239083      3.40084753      0.00706495
+C      2.39995934      2.47669576     -0.28073326
+H      0.80245768     -0.87827602     -0.35674641
+H      5.41961147      2.81157807      0.22685946
+H      4.59107128      3.16274389      1.77027903
+H      3.31405655      4.45977436     -0.24441296
+H      1.46150282      2.60252836     -0.81153271 
+
+14
+-1392.7287848368464 10.221951 10.99433 -9.1648 -7.1351 -10.321 1.412 -0.3414 0.379 9.84469 0.22852 5.4464942038 6.3088664282 0.200659265
+O      0.94490423      1.33933210     -1.01442569
+N      2.35278558      1.28341971     -1.17974698
+C      2.93173082      0.98566322     -0.07244746
+C      4.40312470      0.93071623      0.02203691
+C      5.29273194      1.17136417     -1.18549603
+C      5.21896420      2.20627601     -0.09913469
+O      6.27864743      2.34476854      0.81822132
+H      0.64595886      1.53616053     -1.92037119
+H      2.34024629      0.79481505      0.83418424
+H      4.79349033      0.24189283      0.77372802
+H      4.79840854      1.38084047     -2.13378451
+H      6.20120749      0.57089349     -1.23406326
+H      4.64780972      3.11878049     -0.30387726
+H      7.00964988      2.79672713      0.35967658 
+
+16
+-1587.417779497751 11.218648 12.05536 -9.3775 -7.2957 -10.49 1.4591 -0.1786 0.526 9.97773 0.11418 5.483652808 6.5507507156 0.212938857
+O      0.77719898      1.66700915     -0.41902171
+N      2.15928223      1.86015007     -0.68620860
+C      2.88059733      1.11007363      0.06263558
+C      4.36665195      1.15719030     -0.01796378
+C      5.07874998      2.17680617     -0.94472817
+C      6.14967020      2.37423602      0.16142257
+C      5.15281953      1.77493675      1.18856882
+H      0.36574997      2.28115816     -1.05302903
+H      2.41142220      0.43252561      0.79221548
+H      4.74608890      0.13691438     -0.20255774
+H      4.45713797      3.07160294     -1.08279034
+H      5.40836836      1.81820623     -1.92860391
+H      7.01728323      1.71554004      0.01001527
+H      6.51067184      3.39477553      0.34564658
+H      5.53940329      1.08621206      1.95213149
+H      4.55695405      2.55868296      1.67832749 
+
+15
+-1457.122257517478 10.977735 11.63579 -9.0996 -6.9771 -10.549 1.2843 -0.4308 0.471 10.0903 0.15477 5.4981343728 6.5939722352 0.18763341
+O      0.66462415      1.50623694     -0.19723439
+N      1.96101173      1.00432853     -0.46745061
+C      2.86672028      1.77187706      0.01855460
+C      4.30229597      1.42372670     -0.18202109
+C      5.24932344      2.48213424     -0.82289462
+C      6.27149863      2.06140732      0.25806822
+N      5.14199260      1.50113412      1.05097507
+H      0.09814063      0.83027114     -0.61173236
+H      2.61750870      2.68049409      0.58513214
+H      4.36880636      0.45919585     -0.71803202
+H      4.87984014      3.50474511     -0.66901045
+H      5.51486357      2.33591990     -1.87573556
+H      6.97892525      1.30142719     -0.12203530
+H      6.83683491      2.85556447      0.76845012
+H      5.31933366      0.60119735      1.50401625 
+
+14
+-1387.262433922205 9.930517 10.66301 -9.6305 -7.498 -10.82 1.348 -0.4921 0.346 10.35303 0.26436 5.4248586468 6.6493195856 0.197359433
+O      0.92964421      1.99397786      0.03342546
+N      2.25081152      1.96891611     -0.47089372
+C      2.99557701      1.18499771      0.21515531
+C      4.43422685      1.00109751     -0.15385319
+C      5.10546048      2.04942209     -1.06126466
+C      6.00132669      2.34194615      0.15619740
+O      5.31219386      1.34271159      0.97199604
+H      0.49448160      2.61996567     -0.57353924
+H      2.61125882      0.63154641      1.08292549
+H      4.60213388     -0.04990799     -0.45606448
+H      4.43892430      2.86273430     -1.36706980
+H      5.61910747      1.63736210     -1.93712417
+H      7.06728590      2.08892468      0.03574640
+H      5.90943740      3.34876582      0.59376317 
+
+15
+-1455.1818423771488 10.875753 11.4456 -9.0864 -6.887 -10.453 1.4347 -0.2388 0.524 9.93478 0.0951 5.5420874098 6.5352648642 0.208354737
+O      0.67065964      1.82912384     -0.26367924
+N      1.87595463      1.11330084     -0.48994627
+C      2.89199805      1.78685905     -0.09001192
+C      4.25586988      1.20893882     -0.23424192
+C      5.29968475      2.19038574     -0.85489458
+N      5.73228832      2.56106023      0.51694916
+C      5.12779353      1.31620713      1.05669562
+H      0.00469729      1.20936285     -0.61219120
+H      2.77677562      2.78403370      0.35969207
+H      4.19004943      0.21612457     -0.69457017
+H      4.91053730      3.02689518     -1.45624849
+H      6.05320482      1.63883209     -1.44635790
+H      6.74205295      2.65002685      0.64811372
+H      5.82055157      0.45811621      1.13509982
+H      4.59795223      1.43987292      2.01418131 
+
+14
+-1385.6321955604456 9.926844 10.64632 -9.6267 -7.379 -10.734 1.2716 -0.4862 0.271 10.24435 0.34477 5.4322978068 6.5362443536 0.209515261
+O      0.76532867      1.74290154     -0.40396999
+N      2.14624934      1.88600933     -0.68085101
+C      2.85061307      1.14417553      0.09234220
+C      4.33663410      1.13418650     -0.01433918
+C      5.05114575      2.16411897     -0.91157388
+O      5.94312309      2.55199170      0.17795056
+C      5.16012371      1.78651915      1.13191439
+H      0.36684536      2.35665545     -1.04710396
+H      2.36954181      0.50536812      0.84812897
+H      4.68216078      0.10576510     -0.20412573
+H      4.40776318      2.99803032     -1.23149843
+H      5.60866517      1.76501167     -1.77163287
+H      5.78816943      1.11550711      1.73831795
+H      4.56500654      2.44179951      1.79186098 
+
+16
+-1586.054378161224 11.392503 12.44149 -9.515 -7.3867 -10.568 1.5661 -0.1738 0.489 10.07197 0.12667 5.5199683074 10.113104069 0.221100496
+O      0.89872321      0.65076407      0.94081563
+N      1.87085747      0.80987396     -0.08368352
+C      3.01220421      1.12093725      0.41014555
+C      4.17989346      1.34392321     -0.50145457
+C      4.77489050      2.73437685     -0.35369212
+C      5.77976870      3.02075215      0.73917297
+C      6.22312231      2.97394197     -0.70576098
+H      0.10484146      0.42142705      0.42509798
+H      3.14282127      1.24225156      1.49541687
+H      3.85796782      1.16400430     -1.53851285
+H      4.96227967      0.59884325     -0.26883511
+H      4.08272632      3.54637012     -0.59071531
+H      6.07620592      2.19170774      1.38467450
+H      5.74244482      3.98956299      1.23759178
+H      6.48692033      3.91091575     -1.19634401
+H      6.81212252      2.11340779     -1.02781681 
+
+15
+-1455.5905536141727 10.89426 11.76913 -9.3428 -7.2751 -10.552 1.5207 -0.2175 0.474 10.07923 0.13368 5.5258576424 6.589917893 0.19923178
+O      1.45291571      0.42000439      1.86489759
+N      2.69465532      0.38024826      1.17485639
+C      2.78462049      1.34524616      0.33542250
+C      4.02520882      1.49563709     -0.48892427
+C      4.70840977      2.82909528     -0.24468131
+C      5.47263881      3.52298307     -1.31548701
+N      4.11994096      3.99408151     -0.94162242
+H      1.52413049     -0.36013660      2.44367516
+H      1.97282675      2.07653328      0.21759787
+H      3.75829530      1.43982954     -1.55763889
+H      4.71174584      0.66599005     -0.26339292
+H      5.05945730      2.98238626      0.78133407
+H      5.53615598      3.07003465     -2.30836643
+H      6.34155614      4.11777618     -1.02369495
+H      4.19526231      4.82905089     -0.35280537 
+
+14
+-1387.386699401532 10.18118 11.13429 -9.608 -7.541 -10.66 1.4697 -0.3781 0.392 10.17299 0.20297 5.5014571976 6.5890003966 0.193593359
+O      1.08043469      0.89784663      1.42659395
+N      2.47636462      0.71590514      1.26046550
+C      2.88966777      1.27713281      0.18415166
+C      4.34397969      1.20368015     -0.16760529
+C      4.98328750      2.57557650     -0.25142403
+C      6.05896564      2.87092961     -1.21164843
+O      4.71656342      3.34222810     -1.44607047
+H      0.91640738      0.42618689      2.26322917
+H      2.20098871      1.81957365     -0.47799778
+H      4.46278799      0.70579866     -1.14442007
+H      4.86403306      0.59956177      0.59158210
+H      4.94151969      3.16938239      0.67023489
+H      6.39937478      2.07986940     -1.88899250
+H      6.79362508      3.64946832     -0.98184872 
+
+14
+-1447.5143329710804 12.270092 11.95154 -8.6696 -6.7761 -9.307 -0.0608 -1.6653 -0.634 8.70958 1.24947 4.8480633762 5.5509028144 0.412121399
+O      1.45537959     -0.28308221     -0.15098159
+N      2.79727141      0.13869557     -0.03726583
+C      2.90715159      1.43968563     -0.00188990
+C      1.76613084      2.35828968      0.02561876
+C      1.85074394      3.68890067     -0.15008214
+C      4.28783251      1.96035586      0.04513192
+C      5.34791587      1.37563263     -0.53204398
+H      1.55460886     -1.24967662     -0.09449122
+H      0.79196868      1.89691016      0.19327493
+H      2.79611156      4.19377618     -0.35574914
+H      0.95821733      4.31400683     -0.10807109
+H      4.42085721      2.89441813      0.59787392
+H      5.24072571      0.45708462     -1.11049230
+H      6.34649490      1.80157287     -0.43137235 
+
+12
+-1290.006488047654 11.91929 11.54428 -8.9205 -7.0116 -9.388 -0.249 -1.862 -0.787 8.78261 1.37796 3.9062905174 5.1973939312 0.463257346
+O      0.97300019     -0.17904581      0.13179772
+N      2.37706046     -0.19545115      0.11767368
+C      2.87467406      1.00326942     -0.06505393
+C      2.09164920      2.23096927     -0.23685077
+C      2.63710906      3.44458357     -0.42307576
+C      4.30230166      1.05941651     -0.09038019
+C      5.51144987      1.17558591     -0.12184102
+H      0.77201706     -1.12131502      0.27316814
+H      1.00922805      2.10724451     -0.20521692
+H      3.71918013      3.58339031     -0.45691132
+H      2.00878812      4.32672185     -0.54567588
+H      6.57931215      1.25159063     -0.14572375 
+
+10
+-1127.8827564315131 11.51806 11.47021 -9.1407 -7.2167 -9.526 -0.4112 -2.0602 -0.774 8.94319 1.33822 3.7464353676 8.2214868628 0.415496824
+O      0.90750626      0.03298782      0.00000000
+N      2.29199744     -0.10595481      0.00000000
+C      2.89041476      1.06205482      0.00000000
+C      2.21840078      2.31900312      0.00000000
+C      1.65503214      3.39550420      0.00000000
+C      4.31674136      1.05396051      0.00000000
+C      5.53017200      1.11211134      0.00000000
+H      0.61488390     -0.89731084      0.00000000
+H      1.15751520      4.34373886      0.00000000
+H      6.60035615      1.14601499      0.00000000 
+
+14
+-1455.0511040353388 14.958832 12.98494 -8.2495 -6.4212 -8.62 -0.3416 -1.8477 -0.968 8.00668 1.51374 4.325499582 4.325499582 1.043764398
+O      0.55395744      1.18669574      0.13850535
+N      1.83234406      0.61761364     -0.02262479
+C      2.75162654      1.52088149      0.11746995
+C      4.13469977      1.15191579     -0.00908118
+C      5.15812506      2.03813910      0.12264230
+C      6.55265712      1.68747180     -0.00201032
+C      7.57034896      2.56448978      0.12658516
+H     -0.02904480      0.41612738      0.01075625
+H      2.48187840      2.56485781      0.33194404
+H      4.34203815      0.09906611     -0.22251380
+H      4.92722069      3.08832603      0.33652381
+H      6.77628712      0.63633602     -0.21518919
+H      7.38571266      3.62009672      0.33887458
+H      8.60894884      2.25122260      0.02320786 
+
+12
+-1295.7136730585505 13.999771 12.57869 -8.5612 -6.712 -8.816 -0.4611 -2.0342 -0.947 8.27638 1.44293 3.8902839248 4.1726372426 0.555330887
+O      0.78592710      0.37726436      0.32956198
+N      2.16403646      0.10941287      0.37697653
+C      2.84569478      1.19528320      0.18486506
+C      4.28096616      1.13343495      0.19585209
+C      5.06350721      2.22986503      0.00150646
+C      6.47325493      2.21227923      0.00462379
+C      7.69183293      2.23971024     -0.00030010
+H      0.40007230     -0.50445292      0.48543141
+H      2.33784779      2.15513566      0.01499587
+H      4.73628172      0.15599375      0.36893268
+H      4.58744094      3.20149689     -0.17054876
+H      8.76246768      2.25206671     -0.00252701 
+
+14
+-1448.931993542439 12.483548 12.09751 -8.7293 -6.771 -8.991 -0.0009 -1.5639 -0.604 8.43957 1.14705 4.7579999458 4.7579999458 0.341344281
+O      0.94533944      1.39450964      0.79146865
+N      2.29642549      1.71337960      0.54874327
+C      2.97179725      0.65057686      0.26877971
+C      4.40431832      0.72524336     -0.01254821
+C      5.07009335     -0.42269487     -0.28821783
+C      5.06342425      2.04510660      0.05185111
+C      6.12567895      2.41124918     -0.68041896
+H      0.56210192      2.26882102      0.98777742
+H      2.48214669     -0.33271940      0.24110036
+H      4.54622505     -1.37765234     -0.34652096
+H      6.14838207     -0.42973516     -0.44461215
+H      4.60654540      2.76578642      0.73455234
+H      6.57219710      1.74783021     -1.42437497
+H      6.57034472      3.40030888     -0.56673978 
+
+12
+-1289.3224322955134 11.954664 11.88358 -8.8206 -6.886 -9.053 -0.3649 -1.9883 -0.674 8.56783 1.24956 4.0656745204 6.424086618 0.427954415
+O      0.81217786      0.45257699      0.28191993
+N      2.16853927      0.10845195      0.14591102
+C      2.90908010      1.16034381      0.13183083
+C      4.37701565      1.05064387     -0.00249924
+C      5.03360607     -0.12952131     -0.12011771
+C      5.08026128      2.29412578     -0.00075092
+C      5.64193917      3.37290610      0.00501566
+H      0.37850894     -0.42044885      0.27797596
+H      2.47100301      2.16216915      0.21951173
+H      4.48117440     -1.06809050     -0.11972279
+H      6.11721174     -0.15517823     -0.21639136
+H      6.15067251      4.31515123      0.00846691 
+
+12
+-1293.9491627016034 14.131828 13.14679 -8.604 -6.706 -8.84 -0.4379 -2.0012 -0.8 8.26326 1.35865 3.3266311702 6.0722639444 0.433323406
+O      0.90118020      0.12989147      0.00000000
+N      2.28402882     -0.11447014      0.00000000
+C      2.93237800      1.01169800      0.00000000
+C      4.33907489      1.02204516      0.00000000
+C      5.55930787      1.12861621      0.00000000
+C      6.96973005      1.16330190      0.00000000
+C      7.71440098      2.28924984      0.00000000
+H      0.53633272     -0.77427110      0.00000000
+H      2.39082092      1.96794288      0.00000000
+H      7.46988811      0.18896925      0.00000000
+H      7.25302212      3.27713904      0.00000000
+H      8.80247533      2.23424748      0.00000000 
+
+10
+-1137.8349419742062 13.852984 12.88241 -8.9431 -7.0507 -9.033 -0.5517 -2.1673 -0.806 8.50578 1.43261 2.8751981442 7.9125261494 1.52550911
+O      0.88426319      0.16634847      0.00000000
+N      2.25617519     -0.11146097      0.00000000
+C      2.93354622      0.99763757      0.00000000
+C      4.33817181      0.97016262      0.00000000
+C      5.56368539      1.04575244      0.00000000
+C      6.91604345      1.10589197      0.00000000
+C      8.13677302      1.16085671      0.00000000
+H      0.49420419     -0.72752362      0.00000000
+H      2.42164251      1.97019151      0.00000000
+H      9.20616505      1.20665331      0.00000000 
+
+16
+-1587.6291977276762 12.124322 12.91739 -9.5239 -7.3735 -9.757 1.504 -0.2577 0.437 9.2124 0.18168 5.5113884762 6.5272801658 0.465224684
+O      0.39657781      0.80778213      0.93108331
+N      1.80434340      0.63621613      1.00785957
+C      2.39374251      1.23317522      0.03825238
+C      3.88443260      1.18874757     -0.06809853
+C      4.52602516      2.59259365      0.03683599
+C      6.02107537      2.54858441     -0.08551562
+C      6.73597518      3.17861061     -1.02431480
+H      0.09334842      0.30662977      1.70935402
+H      1.81299511      1.79081143     -0.71187498
+H      4.16416748      0.74646681     -1.03955887
+H      4.27690574      0.52871933      0.71959543
+H      4.24792264      3.02379633      1.01407937
+H      4.10751922      3.25635423     -0.73717592
+H      6.54474151      1.94029619      0.66181269
+H      6.25527841      3.79496062     -1.78872543
+H      7.82392943      3.10602555     -1.05863859 
+
+14
+-1431.406686512927 11.58287 12.55486 -9.661 -7.5468 -10.051 1.3507 -0.4365 0.36 9.63898 0.25439 4.3726018634 10.7437340608 0.816087047
+O      0.72636539      1.05744699     -0.70760772
+N      2.10327201      0.93892906     -1.02181968
+C      2.83500807      1.23403039     -0.01112662
+C      4.32386578      1.17630662     -0.13543907
+C      4.97515365      2.56880145      0.06068496
+C      6.42981155      2.52068208      0.00794478
+C      7.64077057      2.45280246     -0.04087418
+H      0.30734775      0.79990077     -1.54864396
+H      2.37978443      1.53866282      0.94338885
+H      4.59157167      0.77307166     -1.12141278
+H      4.72914892      0.49077636      0.62678577
+H      4.66020073      2.99316844      1.02913659
+H      4.60059763      3.25575257     -0.71568439
+H      8.70959185      2.40190832     -0.08410253 
+
+11
+-1198.2212159248738 10.737859 10.40384 -9.6605 -7.7468 -9.958 -0.7408 -2.4539 -1.398 9.38592 1.9393 4.7046859658 4.9369489396 0.524207407
+O      1.01614451     -0.22045024      0.15042018
+N      2.40756821     -0.19472466      0.10254378
+C      2.86151919      1.01689303     -0.08849414
+C      2.07617614      2.23973794     -0.24172500
+C      2.62206457      3.45228549     -0.43637951
+C      4.29590201      1.09610456     -0.14563448
+N      5.45353482      1.23995452     -0.20339698
+H      0.83826144     -1.16802704      0.29413987
+H      0.99522739      2.11175246     -0.18831062
+H      3.70305217      3.59410699     -0.49197462
+H      1.99330955      4.33555694     -0.54509849 
+
+9
+-1034.6239788580995 10.260527 10.27064 -9.9952 -8.0461 -10.199 -0.9761 -2.729 -1.471 9.69332 1.94413 3.768802442 9.9581711634 0.188976898
+O      0.93397446      0.00977886      0.00000000
+N      2.30982893     -0.09591869      0.00000000
+C      2.88165446      1.08328000      0.00000000
+C      2.21725217      2.33803483      0.00000000
+C      1.65732391      3.41577368      0.00000000
+C      4.31749096      1.07075674      0.00000000
+N      5.48477412      1.11306642      0.00000000
+H      0.65522907     -0.92592842      0.00000000
+H      1.16235192      4.36557658      0.00000000 
+
+11
+-1204.0955737587944 12.303038 11.25986 -9.36 -7.5498 -9.749 -0.9496 -2.6486 -1.565 9.21896 1.9129 4.6555007196 4.6555007196 0.701964181
+O      0.79334437      0.38362705      0.33470114
+N      2.16590921      0.13819950      0.37916105
+C      2.83599015      1.23036022      0.18195158
+C      4.27160883      1.16265928      0.19431513
+C      5.05931009      2.25112510     -0.00244733
+C      6.47514888      2.19383334      0.00796549
+N      7.64652333      2.18466674      0.00969569
+H      0.41523263     -0.50161715      0.49435527
+H      2.32423243      2.18672356      0.00966656
+H      4.71807422      0.18200346      0.37132159
+H      4.61928587      3.23602892     -0.18008619 
+
+11
+-1197.8709985343917 10.674974 10.67478 -9.5425 -7.6039 -9.945 -0.8903 -2.595 -1.206 9.45606 1.77083 4.9266952974 6.8734366792 0.351016746
+O      0.89886498      0.20493478      0.38020991
+N      2.27263438     -0.04113418      0.29126970
+C      2.92911141      1.05568205      0.13941221
+C      4.39811084      1.02672734      0.02311334
+C      5.16289141     -0.08882769      0.06222050
+C      5.02134677      2.30969372     -0.14365822
+N      5.50910326      3.36328200     -0.27855054
+H      0.53266378     -0.69226895      0.49038516
+H      2.41963965      2.02544981      0.09336048
+H      4.69847418     -1.06557744      0.18830356
+H      6.24490933     -0.02674142     -0.03098611 
+
+9
+-1042.2031363175615 12.082922 11.45526 -9.7873 -7.9311 -10.03 -1.0697 -2.8219 -1.462 9.51707 1.84695 3.272362498 10.7599762268 1.740531521
+O      0.83382071      0.21751290      0.00000000
+N      2.19787252     -0.04944630      0.00000000
+C      2.87272270      1.06081782      0.00000000
+C      4.27793932      1.01807514      0.00000000
+C      5.50127584      1.06922811      0.00000000
+C      6.86055771      1.10927488      0.00000000
+N      8.03562273      1.14636397      0.00000000
+H      0.44339534     -0.67705082      0.00000000
+H      2.37144312      2.03754430      0.00000000 
+
+13
+-1343.1291935654672 10.216747 11.20099 -10.1452 -7.9713 -11. 1.1955 -0.641 0.082 10.51986 0.53478 5.380682435 11.6619743768 0.336789262
+O      0.95690813      2.41600638     -0.09344921
+N      2.36700350      2.50613149     -0.09101869
+C      2.90558481      1.35021540      0.03150470
+C      4.39520701      1.20365963      0.05846105
+C      5.14972838      2.53731372     -0.07207528
+C      6.59578007      2.34995536     -0.04100309
+N      7.74968612      2.18107652     -0.01532204
+H      0.69325623      3.34891100     -0.19092656
+H      2.28950859      0.44446626      0.11930650
+H      4.70144074      0.51991641     -0.75093572
+H      4.68749403      0.69860455      0.99434641
+H      4.85962632      3.22061753      0.73989038
+H      4.87416606      3.04113574     -1.01045845 
+
+15
+-1455.6318423650728 11.338346 11.77771 -9.0791 -7.1132 -9.995 0.9824 -0.5138 0.725 9.47988 -0.18608 4.8884208192 6.793502905 0.376489268
+O      0.13703012     -0.72474387     -0.96768909
+N      0.76299561     -0.87795964      0.31344114
+C      2.03701370     -1.60731440      0.16070013
+C      1.83732648     -3.05595222     -0.17711201
+C      2.30103437     -4.06746828      0.56289216
+C      0.80060426      0.33408721      1.02594279
+N      0.15971334      1.41691348      0.80639071
+H     -0.68391885     -1.24494715     -0.87446164
+H      2.57084579     -1.51043460      1.11738153
+H      2.64462861     -1.11324062     -0.62170390
+H      1.30381725     -3.26172581     -1.11022240
+H      2.84691106     -3.89242112      1.49368579
+H      2.15768278     -5.10623740      0.26255696
+H      1.43742749      0.24193469      1.91738480
+H     -0.36506201      1.33230972     -0.07785696 
+
+13
+-1298.0495683821503 10.507512 10.88094 -9.2311 -7.3001 -9.956 0.9663 -0.418 0.639 9.34124 -0.11998 4.388236498 10.8358432602 0.440511093
+O      2.19887960     -0.52264723      1.50322066
+N      2.49377635      0.24410953      0.35410320
+C      2.81402572     -0.60288725     -0.80306005
+C      3.97998090     -1.46023012     -0.57250872
+C      4.93247695     -2.15081675     -0.27339085
+C      3.29114977      1.37442681      0.59932753
+N      3.57256856      1.92018224      1.71894910
+H      3.03304589     -1.00597173      1.71735603
+H      2.98270667      0.06521312     -1.66164337
+H      1.92893731     -1.21551621     -1.02948507
+H      5.78409273     -2.75981875     -0.04489107
+H      3.62829709      1.83518210     -0.34070398
+H      3.16367246      1.37047424      2.49002659 
+
+12
+-1267.0236306071445 10.697656 10.25501 -9.4735 -7.535 -9.829 -0.6 -2.3677 -1.722 9.26253 2.14359 3.1518853018 4.4767377048 0.344815688
+O      1.21428385     -0.48214477      0.14356029
+N      2.59492642     -0.35966614      0.04862647
+C      3.00008894      0.88609539      0.04123854
+C      2.13250532      2.05583435      0.12193438
+C      2.55252260      3.33479429      0.11004969
+C      4.48829046      0.92206904     -0.06352554
+O      5.17623020      1.93052640     -0.09420651
+H      1.09342913     -1.44962339      0.13518750
+H      1.06595167      1.83676805      0.19641498
+H      3.60808626      3.59099897      0.03708173
+H      1.82502441      4.14498922      0.17513907
+H      4.93417074     -0.10013142     -0.11463061 
+
+12
+-1271.5325384352172 12.379269 11.12994 -9.3667 -7.5667 -10.059 -1.0203 -2.7283 -1.948 9.50024 2.25537 3.2449987878 4.6511984054 0.86265654
+O      0.71485936      0.93301862      0.31481082
+N      2.04306897      0.51301290      0.24897328
+C      2.84535094      1.52887248      0.16536128
+C      4.25877068      1.27832173      0.08844239
+C      5.20102950      2.25076706     -0.00250244
+C      6.62302868      1.91626445     -0.07682982
+O      7.52465587      2.74230940     -0.15967298
+H      0.22875903      0.08898530      0.37350422
+H      2.45865660      2.55638598      0.15279525
+H      4.56476213      0.22691840      0.10650712
+H      4.93797067      3.31191397     -0.02350626
+H      6.84722758      0.81792970     -0.05227286 
+
+12
+-1266.2093496494485 10.725253 10.45544 -9.3082 -7.4108 -10.045 -0.5991 -2.3633 -1.354 9.53634 1.92714 3.4020146582 5.0383446904 0.448419034
+O      0.85422544      1.33453625      0.28854289
+N      2.18833377      1.76298078      0.20539544
+C      2.98974718      0.75261118      0.14690021
+C      4.43208827      0.94735667      0.05684790
+C      5.28305955     -0.10147764      0.00032656
+C      4.98718216      2.34487026      0.02384374
+O      6.17985459      2.59323435     -0.04316910
+H      0.36730875      2.17845960      0.32632161
+H      2.59646255     -0.27403488      0.16553409
+H      4.92711030     -1.13217844      0.01662003
+H      6.35592750      0.08130774     -0.06588523
+H      4.22735994      3.15633413      0.06418187 
+
+10
+-1105.7808043019568 11.810377 11.26214 -9.73 -7.847 -10.269 -1.1916 -2.9499 -1.828 9.75051 2.16273 3.0979017974 6.0014679384 0.385224207
+O      0.91430206      0.11605063      0.00000000
+N      2.28741330     -0.10251795      0.00000000
+C      2.92377705      1.03136775      0.00000000
+C      4.33073866      1.02979762      0.00000000
+C      5.55019947      1.13908514      0.00000000
+C      6.98515374      1.17400512      0.00000000
+O      7.64824218      2.20512863      0.00000000
+H      0.55613668     -0.79191904      0.00000000
+H      2.38385468      1.98716357      0.00000000
+H      7.46634217      0.16743854      0.00000000 
+
+14
+-1407.0077108144956 10.212998 10.86576 -9.6511 -7.4895 -10.66 0.9931 -1.062 -0.321 10.37769 0.95208 3.6743499072 6.6100284222 0.181214104
+O      0.61408368      1.07915007     -0.78648656
+N      2.00818379      0.96199535     -1.02029036
+C      2.68061890      1.33438258      0.00627243
+C      4.17717598      1.28393738     -0.05409158
+C      4.83307149      2.66978986      0.02218710
+C      4.73321046      3.36196114      1.35879354
+O      4.22238073      2.88704360      2.35697265
+H      0.24398274      0.75881372     -1.62886338
+H      2.18402052      1.68972985      0.91874342
+H      4.47124858      0.78841321     -0.98936559
+H      4.54636804      0.67422702      0.78671246
+H      4.42365520      3.35521403     -0.74167673
+H      5.91205240      2.60430531     -0.21137214
+H      5.18978747      4.38599689      1.38504475 
+
+14
+-1402.0200626145108 10.379108 10.89129 -9.4972 -7.5145 -10.028 0.923 -0.5732 0.048 9.9384 0.5774 4.2260256142 6.7932425344 0.435371743
+O      0.56628194     -0.05990304     -0.77900298
+N      1.51191714     -0.32078966      0.24822254
+C      2.54072797     -1.30276720     -0.10288522
+C      2.02568488     -2.71516820     -0.11482064
+C      2.47910377     -3.67845962      0.69282132
+C      1.76427912      0.74096073      1.09089579
+O      2.70625798      0.79438673      1.87092454
+H     -0.21199462     -0.59498948     -0.52680281
+H      3.32899544     -1.17116744      0.65125921
+H      2.94896349     -1.02957297     -1.09221069
+H      1.25439851     -2.94759818     -0.85713973
+H      3.25602721     -3.47907338      1.43497783
+H      2.09408047     -4.69759012      0.63835309
+H      0.97399669      1.51676184      0.99373775 
+
+12
+-1244.9221557314254 9.9046 10.56634 -9.6525 -7.6824 -10.228 0.9726 -0.4596 -0.013 10.00702 0.6203 4.2280589846 11.0598859622 0.510512598
+O      2.02828238     -0.43939153      1.62681037
+N      2.57551976      0.27216172      0.53604387
+C      3.45363012     -0.50490694     -0.33597676
+C      2.71801269     -1.48975865     -1.12214518
+C      2.10056646     -2.32413537     -1.74957503
+C      2.74837085      1.62503489      0.72684255
+O      3.43331818      2.33583656      0.00274100
+H      1.20815350     -0.83303724      1.26482062
+H      4.22929460     -1.00346373      0.27086039
+H      3.94682630      0.23846779     -0.98206679
+H      1.56394580     -3.05332190     -2.32218132
+H      2.15822936      1.97938440      1.59817631 
+
+15
+-1448.1102420572033 10.858269 11.56316 -9.2716 -7.1742 -10.647 1.5025 -0.3057 0.526 10.17107 0.07794 5.5211957688 12.5729615118 0.203023377
+O      2.22423327      0.54846108      2.57392239
+N      2.97634881      0.56050342      1.37252166
+C      2.98871808      1.72938655      0.84747052
+C      3.71741785      1.94012835     -0.44408355
+N      4.68638990      3.03517139     -0.30912144
+C      6.02407521      2.62574771      0.13920652
+C      5.78324010      3.01070645     -1.28318714
+H      2.30877916     -0.38122957      2.85249881
+H      2.48504306      2.58219277      1.32186880
+H      2.99368425      2.23897507     -1.22287370
+H      4.17805734      0.98205216     -0.75849599
+H      6.18548291      1.56319610      0.34840196
+H      6.52277365      3.31743008      0.82130610
+H      6.10395307      3.98631689     -1.65525785
+H      5.79198335      2.20372155     -2.02370708 
+
+10
+-1100.9628818467954 10.17001 10.06393 -9.7259 -7.7032 -10.132 -0.9966 -2.8383 -1.862 9.62761 2.1998 3.0703521082 4.312791017 0.211578258
+O      0.89104665     -0.03292614      0.07008422
+N      2.28153679     -0.12532302      0.04402169
+C      2.86469469      1.04622269     -0.01287016
+C      2.13867242      2.36542926     -0.04595532
+O      2.71814160      3.43461190     -0.10407100
+C      4.28554858      1.05379753     -0.04404687
+C      5.49639297      1.14249788     -0.07286586
+H      0.63068739     -0.97105868      0.11153971
+H      1.03173590      2.29429152     -0.01299636
+H      6.56509301      1.20610705     -0.09745005 
+
+12
+-1268.320696453759 10.725485 10.54319 -9.6267 -7.7767 -10.717 -0.7866 -2.5317 -1.698 9.69454 2.21616 3.0602596478 5.0078317358 0.310888712
+O      0.49082447      0.36956915      0.09297963
+N      1.57943909      1.24230701      0.07861761
+C      2.69710414      0.60375640      0.13126550
+C      3.98458060      1.34947223      0.12947562
+O      5.03398703      0.70536818      0.18706489
+C      3.93614348      2.83573824      0.05834450
+C      5.06351236      3.56121277      0.05740638
+H     -0.27082699      0.97858512      0.05000369
+H      2.75339753     -0.49054407      0.18056422
+H      2.95002043      3.30003687      0.00767471
+H      6.03448743      3.06391370      0.10968450
+H      5.04193044      4.64996442      0.00550877 
+
+10
+-1105.3126499324183 10.179384 10.14254 -10.1079 -8.2086 -10.998 -0.9263 -2.7538 -1.879 9.9389 2.31109 3.1154458164 5.6386849024 0.298525427
+O      1.16628470      0.26344599     -0.43384014
+N      2.37406537      0.94976576     -0.39080197
+C      3.12169090      0.52805878      0.57025345
+C      4.45388865      1.14090215      0.77685305
+O      5.18212734      0.75091246      1.69075017
+C      4.86636496      2.20125806     -0.12177353
+C      5.27848123      3.09303994     -0.83619171
+H      0.71241474      0.67869450     -1.19204587
+H      2.82756886     -0.27242840      1.25897732
+H      5.63989325      3.87990077     -1.46729077 
+
+14
+-1394.2279229354742 10.808808 11.18017 -9.9411 -7.7625 -9.967 0.8933 -0.8643 0.03 9.42631 0.53829 5.3959699088 6.1056533742 0.394611795
+O      0.90067441      0.38550213     -0.46147377
+N      2.28420870      0.40882885     -0.72512428
+C      2.94162601      1.07474382      0.14675006
+C      4.43734098      1.18056427     -0.03068669
+O      4.89261555      0.45485429     -1.16756973
+C      4.83922943      2.63406582     -0.14187787
+C      5.55540126      3.28394493      0.78014063
+H      0.55852361     -0.15389963     -1.19780021
+H      2.46390690      1.57094708      1.00019480
+H      4.90721790      0.76048253      0.88256499
+H      4.09277453      0.05324601     -1.56762398
+H      4.50378547      3.13567070     -1.05496471
+H      5.90719165      2.78224232      1.68530611
+H      5.82018362      4.33526687      0.66138467 
+
+12
+-1233.8808501953656 10.153922 10.77093 -10.2641 -7.9951 -10.18 1.0431 -0.7754 0.054 9.76751 0.53227 4.3746724296 10.530378952 0.389941126
+O      0.85788424      0.84868548     -0.85395788
+N      2.24887602      0.73006989     -1.01249766
+C      2.90042559      1.20112885     -0.02046394
+C      4.41366867      1.14382445     -0.09984931
+O      4.87407924      0.49377805     -1.27668557
+C      4.95002052      2.50912004      0.02757082
+C      5.38102728      3.63589193      0.15444339
+H      0.51924945      0.44587485     -1.67472970
+H      2.42324185      1.65494726      0.85528604
+H      4.77121538      0.56175606      0.77399710
+H      4.08006617      0.38085825     -1.84099611
+H      5.77305558      4.62769489      0.25294281 
+
+14
+-1388.5841729643555 10.871139 11.37654 -9.1077 -6.9459 -9.746 1.2399 -0.6177 0.34 10.32021 0.24823 5.4528546856 6.4232063174 0.393609963
+O      0.87825716      0.22954850      0.62235644
+N      2.28630953      0.27753475      0.66783026
+C      2.74922969      1.12896423     -0.17113542
+C      4.22971205      1.26762970     -0.29331137
+O      4.56488312      2.65291540     -0.09430885
+C      5.88666560      2.96730239     -0.22764339
+C      6.91315173      2.14901994     -0.50401306
+H      0.67565552     -0.43143017      1.30934762
+H      2.09326453      1.73743800     -0.80730185
+H      4.56239319      0.96170461     -1.30317406
+H      4.73303872      0.63275648      0.45377688
+H      6.02252855      4.03935856     -0.07021493
+H      6.81059677      1.07690624     -0.65904395
+H      7.91106384      2.57652138     -0.57426429 
+
+15
+-1458.9792133906287 10.980087 11.4596 -7.9231 -6.0122 -9.449 0.9607 -0.0418 0.742 8.70695 -0.12817 5.5874786844 5.5874786844 0.135097917
+O      1.01904657      0.70723451      0.67107812
+N      2.32813241      1.29061679      0.72508151
+C      3.04151691      0.83442485     -0.24998902
+N      4.30775747      1.31300339     -0.48710337
+C      5.11208898      2.05266469      0.50952410
+C      6.38928090      1.46448697     -0.14392777
+C      5.46184973      0.47909623     -0.90407526
+H      0.59708158      1.11959680      1.44425530
+H      2.66727775      0.08524443     -0.96033998
+H      4.92830322      1.69806285      1.53823446
+H      4.97377791      3.14254826      0.47602216
+H      6.89931447      2.17228050     -0.80847371
+H      7.11775381      1.01007574      0.53631197
+H      5.59185497      0.40144977     -1.99375940
+H      5.45087333     -0.53194579     -0.46143912 
+
+15
+-1461.3883364001565 11.07873 11.81934 -8.2097 -6.2174 -9.643 1.1176 0.0357 0.651 8.97016 -0.07374 5.640619084 11.9767500336 0.214532637
+O      1.74975075     -0.25182129      1.37729674
+N      2.70812576     -0.08086966      0.32479868
+C      3.27867986      1.06796775      0.44106482
+N      4.14977554      1.53256182     -0.53083725
+C      5.26731746      2.34990679     -0.12730475
+C      5.74472330      3.39875010     -1.09819033
+C      5.00543181      3.81112108      0.15276701
+H      1.42236870     -1.14865546      1.19079789
+H      3.07399904      1.75270417      1.27327380
+H      4.36674453      0.82658073     -1.23658465
+H      6.03368970      1.86507549      0.49002958
+H      5.20332289      3.47424634     -2.04128163
+H      6.81684056      3.58415591     -1.15849781
+H      5.56488105      4.28163899      0.96105265
+H      3.97945905      4.15824724      0.03092526 
+
+15
+-1455.808419484369 10.665622 11.34837 -9.046 -7.058 -10.088 0.8195 -0.3188 0.782 9.3989 -0.24893 4.8853335678 12.0054651912 0.267268809
+O      0.89174653      0.73826002     -0.33827277
+N      2.09625039      0.95216398     -1.09772601
+C      2.31807893     -0.09739945     -2.01127189
+N      1.50227285     -0.99099349     -2.41968914
+C      3.18971404      1.31705180     -0.22994724
+C      4.28595963      2.16381884     -0.83159896
+C      3.32423064      2.76541341      0.16271235
+H      0.36086498      1.53088842     -0.54379754
+H      3.33430832     -0.04128594     -2.42418798
+H      0.61266629     -0.90193095     -1.90506017
+H      3.47611060      0.56401918      0.51246147
+H      4.17261190      2.45830307     -1.87469340
+H      5.30784101      1.95130757     -0.51875650
+H      3.67511749      2.98058414      1.17147151
+H      2.57584640      3.45574942     -0.22677373 
+
+15
+-1464.9915054196947 10.565363 11.31902 -9.2221 -7.2231 -10.095 0.8309 -0.2553 0.89 9.37642 -0.27901 4.9347419888 12.0825348888 0.263195015
+O      1.00043131      1.27874815     -1.36411012
+N      2.19699943      1.58860711     -0.64280623
+C      3.24581754      0.66462486     -0.88564931
+N      3.12082470     -0.50710234     -1.38678234
+C      4.55809519      1.19548470     -0.41553612
+C      5.64514150      0.20950859     -0.04099002
+C      5.77536210      0.99748110     -1.30927742
+H      0.35281611      1.12620567     -0.65045659
+H      2.45847759      2.54611147     -0.90083019
+H      2.14993404     -0.64850229     -1.69575599
+H      4.51234317      2.12166727      0.16133651
+H      5.36662491     -0.84000648     -0.13727553
+H      6.28182168      0.46740956      0.80524731
+H      6.50116334      1.80999314     -1.35379095
+H      5.59067739      0.46767950     -2.24409301 
+
+15
+-1463.020235766651 11.621847 12.10318 -8.2076 -6.2287 -9.672 1.4403 -0.2454 0.627 9.00355 -0.03504 5.6821171982 6.726798437 0.403296981
+O      1.42497602      1.09794479      1.74864860
+N      2.60940490      1.58512310      1.10043405
+C      3.48565147      0.63944966      1.05062755
+N      4.76420092      0.85981900      0.58107842
+C      5.08381931      2.12828950     -0.07602877
+C      6.55801007      2.23633255     -0.32744875
+C      7.10192628      2.44697908     -1.53087658
+H      0.84542526      1.87681121      1.69019103
+H      3.27878734     -0.37278417      1.41938471
+H      5.20922612      0.04224293      0.16969358
+H      4.75059296      2.92804534      0.60622935
+H      4.51416724      2.26046488     -1.01489413
+H      7.20093439      2.13827696      0.55399586
+H      6.48132846      2.54548394     -2.42537647
+H      8.18092927      2.54033124     -1.66201846 
+
+13
+-1304.9692635581634 11.069957 11.77513 -8.3668 -6.3965 -9.73 0.9625 -0.0491 0.557 9.09112 0.03555 4.4056441324 10.4239617682 0.469771352
+O      0.68754832      2.66184748      0.01149745
+N      2.11444118      2.71898742     -0.10060206
+C      2.59298814      1.52093505     -0.08291468
+N      3.93706702      1.28464393     -0.28018276
+C      4.85221304      2.42969767     -0.27515035
+C      6.23688673      1.99942534     -0.40512524
+C      7.39229862      1.64032783     -0.49005787
+H      0.45798926      3.60709918      0.00484480
+H      1.96150336      0.63272775      0.03908682
+H      4.30088896      0.44448410      0.16256748
+H      4.72890325      3.03690399      0.64244181
+H      4.57471693      3.09108254     -1.11269974
+H      8.41442521      1.33145772     -0.57416565 
+
+15
+-1465.436197350452 11.136372 11.57157 -9.3567 -7.347 -9.86 1.1282 -0.4796 0.582 9.60862 -0.10098 4.952806749 6.4635265646 0.326741576
+O      0.98880963      2.84250951      0.56248659
+N      2.24129852      2.21888581      0.85762178
+C      2.85244078      1.62915586     -0.26929395
+N      2.28542305      1.31105788     -1.37189891
+C      4.32032966      1.32197208     -0.01573320
+C      5.14713742      2.57065082      0.14245229
+C      5.83778503      2.89941080      1.24118939
+H      0.36303745      2.34807998      1.12489600
+H      2.84148964      2.92621253      1.29600320
+H      1.30625316      1.63534165     -1.35604356
+H      4.65535630      0.74379569     -0.88865493
+H      4.42001658      0.68808953      0.87970077
+H      5.15906673      3.24300131     -0.72268679
+H      5.85513665      2.24937979      2.12027338
+H      6.42052941      3.82025678      1.29242794 
+
+13
+-1308.6890717163608 10.56976 11.18517 -9.4764 -7.4423 -10.145 0.8217 -0.3635 0.726 9.68306 -0.10443 4.3492057052 10.6529763088 0.602684054
+O      1.31660694     -0.11055559      1.16448137
+N      2.62728230      0.16923436      0.67576741
+C      2.71260358      1.39162101     -0.01190985
+N      1.75522656      2.07551918     -0.51135228
+C      4.15869335      1.82459811     -0.25033202
+C      5.04474282      1.64159992      0.89329913
+C      5.76256300      1.47137131      1.85757398
+H      1.08867740     -0.94495434      0.71264790
+H      3.28204147      0.11775235      1.46430559
+H      0.85635281      1.63513118     -0.26562930
+H      4.11870105      2.88150990     -0.54835947
+H      4.55295392      1.25919118     -1.11161016
+H      6.40901481      1.34145144      2.70166771 
+
+14
+-1387.5053639961748 9.988741 10.8353 -8.9815 -6.8814 -10.571 1.1465 0.1084 0.352 10.10351 0.19 5.6208309184 11.9249610814 0.240878435
+O      1.62463082      1.77970309      1.52319201
+N      2.88561868      2.19079717      0.99128751
+C      2.84863638      2.13101919     -0.28933867
+O      3.90982098      2.44494966     -1.06951701
+C      5.09133736      2.85768612     -0.38013140
+C      6.08339868      3.59500161     -1.21796727
+C      5.29819526      4.32362652     -0.13889085
+H      1.77788347      1.88709259      2.47802086
+H      1.97773839      1.81674864     -0.87337042
+H      5.42154441      2.13934298      0.37237292
+H      5.79962341      3.79098926     -2.25213550
+H      7.14136802      3.38719584     -1.05907825
+H      5.80211485      4.62297351      0.78016297
+H      4.50415928      4.99156382     -0.47223689 
+
+14
+-1404.5461636677455 9.838816 10.62495 -8.9165 -6.9523 -10.388 1.1584 -0.3092 -0.055 9.73957 0.64834 4.3244580996 12.3131364502 0.251713725
+O      2.12949812     -0.16764388     -1.72071174
+N      1.93122390      0.81531030     -0.72862914
+C      0.71204073      0.76782084     -0.13145781
+O     -0.16954470     -0.00532254     -0.53056470
+C      3.13078408      1.38656171     -0.21318561
+C      3.88154870      2.36986614     -1.07890257
+C      3.12056232      2.86027590      0.12449410
+H      1.22657908     -0.59224074     -1.70636515
+H      0.59936070      1.49071737      0.69753943
+H      3.72334309      0.71699335      0.41799353
+H      3.45685394      2.57461185     -2.06067130
+H      4.96925465      2.33425289     -1.03695682
+H      3.67244840      3.16127556      1.01430605
+H      2.19990699      3.41371125     -0.05620827 
+
+14
+-1413.9865021001451 9.847578 10.5995 -9.1387 -7.1346 -10.916 0.8192 -0.196 0.069 9.96596 0.5843 4.3435023492 12.0938920064 0.32555505
+O      0.97674966      1.84624551     -0.32823835
+N      2.32051183      1.97902341      0.06958104
+C      3.16657632      1.03719028     -0.46790579
+O      2.67895924      0.06036420     -1.05972987
+C      4.61586729      1.25790681     -0.23167118
+C      5.49399684      0.02893425     -0.05626639
+C      5.57683627      0.81522938     -1.32623453
+H      1.04639883      0.99756509     -0.84884764
+H      2.59612528      2.96062140      0.08601904
+H      4.88209082      2.14605238      0.34469180
+H      4.97611836     -0.92932140     -0.09504298
+H      6.30588282      0.10593246      0.66627948
+H      6.44709932      1.44749747     -1.50049480
+H      5.11651714      0.38064876     -2.21355983 
+
+14
+-1390.1173107356724 10.732355 11.34843 -9.0399 -6.9468 -9.952 1.4095 -0.3289 0.307 10.16109 0.2414 5.6076636052 6.8056907288 0.439203704
+O      2.32550946     -0.33313265      0.34032934
+N      3.34211258      0.66558902      0.23982600
+C      4.49835482      0.10828343      0.26537900
+O      5.64515554      0.81289902      0.18503297
+C      5.48720977      2.25506196      0.05663180
+C      6.84642388      2.85705367     -0.08034802
+C      7.29181867      3.86123907      0.68076146
+H      1.52060648      0.21286904      0.31678597
+H      4.66882466     -0.96967067      0.35487827
+H      4.94841878      2.64201233      0.93557987
+H      4.86395450      2.45064597     -0.83303527
+H      7.47294250      2.44971317     -0.87994459
+H      6.68327679      4.27819323      1.48702996
+H      8.27423155      4.30650341      0.51946324 
+
+12
+-1230.92936229418 10.278501 11.05166 -9.1958 -7.1416 -10.152 1.5085 -0.0599 0.224 10.25606 0.33016 4.4175095926 10.8233702686 0.45395681
+O      0.50665586      2.81329480      0.06784995
+N      1.92597568      2.91522993     -0.02264916
+C      2.45578429      1.75584413      0.12300327
+O      3.79140667      1.56018846      0.08098004
+C      4.57425268      2.76635577     -0.14084578
+C      5.98217356      2.41632415     -0.16899851
+C      7.16937985      2.17422724     -0.20220976
+H      0.23879066      3.74062154     -0.05618013
+H      1.89999109      0.82816529      0.29177196
+H      4.35718355      3.48829943      0.66372873
+H      4.25847396      3.22996808     -1.09005676
+H      8.21649213      1.95072120     -0.22945386 
+
+14
+-1412.6784159033982 10.345129 10.88958 -9.3216 -7.2935 -10.049 1.0938 -0.6055 -0.088 9.99716 0.73051 4.2936723758 6.8007808832 0.321025335
+O      1.19049433      1.93145516     -2.07414792
+N      2.47467312      1.47097921     -1.73695825
+C      2.90163515      1.81640268     -0.48360525
+O      2.09868609      2.31427693      0.31729276
+C      4.35533563      1.50836195     -0.16835849
+C      5.14435795      2.77457501      0.04051751
+C      6.26392442      3.08312426     -0.62123175
+H      0.92923647      2.33842698     -1.20135967
+H      3.10546049      1.52060004     -2.53611393
+H      4.80964618      0.88934261     -0.95697306
+H      4.34605201      0.91415283      0.76071049
+H      4.73889795      3.46173202      0.78903853
+H      6.69065669      2.41414207     -1.37324037
+H      6.79821353      4.01375825     -0.42661059 
+
+12
+-1256.9504695292255 9.748358 10.38598 -9.3056 -7.2789 -10.452 0.9787 -0.1515 0.009 10.05722 0.67868 4.3178620444 10.7502929202 0.742520519
+O      2.73592228     -1.74731032      0.04061542
+N      3.65835037     -0.72747994     -0.20770818
+C      3.44640489      0.44170688      0.44022936
+O      2.39870511      0.62436031      1.07630887
+C      4.52644668      1.51473477      0.28894722
+C      5.75367438      1.08527334     -0.36510847
+C      6.76334412      0.69271436     -0.91264028
+H      2.09358054     -1.25238002      0.61985003
+H      4.58336988     -1.06335337     -0.47007960
+H      4.73738015      1.88821163      1.30314045
+H      4.07026513      2.35459330     -0.26035199
+H      7.66349645      0.36919907     -1.39509282 
+
+13
+-1441.0777945521386 13.049952 13.45534 -8.5154 -6.6845 -8.298 0.9196 -0.5528 0.347 7.64528 0.19372 4.5018200726 11.0421435656 0.621521301
+C      2.46068986      0.35583388      1.00936926
+C      2.06359770     -0.02886565     -0.47327904
+C      2.38976822      1.41620407     -0.84711890
+C      2.49527743      2.43964245     -1.75079149
+S      3.05689996      3.86636968     -0.90557261
+C      3.13982703      3.06122390      0.64690131
+C      2.74629182      1.76029096      0.47997094
+H      3.33265901     -0.18514771      1.40393842
+H      1.63796093      0.28516828      1.73517633
+H      1.01233487     -0.32325389     -0.60309229
+H      2.70767450     -0.79080387     -0.93511248
+H      2.30149551      2.49999277     -2.81835608
+H      3.46699316      3.62390513      1.51710660 
+
+12
+-1315.263961285426 12.267628 12.62124 -8.9152 -7.1457 -9.334 0.4107 -1.1354 -0.216 8.62969 0.76964 4.3561365226 11.0384859786 0.249086495
+C      2.13091272      0.64708460      0.99519488
+C      2.34339810     -0.02178932     -0.42722282
+C      2.97779178      1.30392200     -0.83892612
+N      3.55218450      1.96934181     -1.82338735
+S      3.91153886      3.49308682     -1.15819553
+C      3.27215238      3.18729958      0.44266281
+C      2.79173238      1.90336655      0.42362888
+H      2.68109673      0.16103046      1.81272881
+H      1.07871472      0.76565294      1.28871922
+H      1.41707168     -0.28326057     -0.95721834
+H      3.02078728     -0.88692307     -0.43335919
+H      3.31098886      3.95374819      1.21326477 
+
+11
+-1188.5679406428824 11.540787 11.78464 -9.2538 -7.484 -10.086 -0.1644 -1.8335 -0.92 9.72333 1.29111 3.58629505 11.8613314662 0.384192796
+C      1.95654107      0.30238708     -0.69182359
+C      2.65889491     -0.03520553      0.69611627
+C      3.21219132      1.38899634      0.65591496
+N      3.93604374      2.34506766      1.21201168
+S      3.78393590      3.62300483      0.10373477
+N      2.78482175      2.89828184     -1.06297589
+C      2.59188201      1.68712503     -0.56994660
+H      0.85862386      0.28875900     -0.66552882
+H      2.30755375     -0.29979333     -1.54078084
+H      3.41389889     -0.83139194      0.64504927
+H      1.96580280     -0.24364099      1.52222881 
+
+12
+-1306.7802125288092 12.579415 12.71415 -7.9305 -6.1621 -8.261 0.9942 -0.4815 0.302 7.62643 0.20095 4.4380292756 10.9373381998 0.443532749
+C      2.41763741     -0.09587691      0.70987644
+N      1.54984004      0.22361179     -0.50097300
+C      2.31847628      1.42936561     -0.67509331
+C      2.53838059      2.58842049     -1.36996777
+S      3.74634772      3.50845860     -0.48141759
+C      3.91238437      2.30895014      0.78843607
+C      3.08142735      1.26486450      0.50405125
+H      3.08448008     -0.95870387      0.56523739
+H      1.82005083     -0.22649658      1.62281939
+H      1.59336683     -0.45817143     -1.26283064
+H      2.13000534      2.98755550     -2.29292519
+H      4.61290316      2.49078216      1.59866696 
+
+11
+-1179.101436122484 11.821761 11.87914 -8.3737 -6.5648 -9.088 0.4737 -1.0837 -0.284 8.52568 0.81409 4.2929904528 11.4062532518 0.195883859
+C      2.19180880      0.04057177      0.94106914
+N      1.80487553      0.08559947     -0.53715355
+C      2.50188041      1.34161607     -0.64816478
+C      2.90004658      2.45583028     -1.33973455
+S      3.60694373      3.52089451     -0.12611946
+N      3.36675398      2.50308407      1.22310831
+C      2.79645211      1.42964322      0.72461659
+H      2.91870530     -0.74532505      1.19180649
+H      1.31349454     -0.02343608      1.59718483
+H      2.16345349     -0.68611520     -1.10549833
+H      2.86379554      2.74350696     -2.38650468 
+
+11
+-1183.6805569529454 11.804947 11.88286 -8.3491 -6.6042 -9.438 0.5844 -0.9779 -0.201 8.72122 0.69633 4.4528580012 11.388300079 0.307699757
+C      2.14367587      0.30644569      0.61771785
+N      1.79727277      0.26211960     -0.86497546
+C      2.71604543      1.33357851     -1.06364636
+N      3.23376722      2.09289144     -2.00347313
+S      4.17025532      3.22940955     -1.13230478
+C      3.82314893      2.60826471      0.47974590
+C      2.99878868      1.53676070      0.30608968
+H      2.71413785     -0.56593755      0.96704741
+H      1.25573670      0.46373553      1.24446123
+H      1.94414942     -0.61517241     -1.36870407
+H      4.26387182      3.07250423      1.35868172 
+
+11
+-1234.792282417936 11.675669 12.00735 -8.2496 -6.4961 -8.558 0.9492 -0.6104 0.074 7.95392 0.41851 4.4976665416 10.8884381214 0.371516204
+C      2.11631600      0.01789538      0.56250883
+O      1.23315075      0.40225401     -0.59202286
+C      2.06841013      1.51369336     -0.77739384
+C      2.29984475      2.62985790     -1.52835815
+S      3.73727060      3.38870554     -0.84785160
+C      3.95349501      2.17541515      0.40356284
+C      2.95846942      1.25120938      0.27792894
+H      2.58122889     -0.95805660      0.37019113
+H      1.53540971      0.01547002      1.49425678
+H      1.79732367      3.07401452     -2.38035107
+H      4.78608107      2.27274134      1.09418900 
+
+10
+-1105.4208632884945 10.935804 11.17892 -8.6726 -6.9306 -9.519 0.3954 -1.2674 -0.54 8.92438 1.05731 4.315394723 11.5655504646 0.203727994
+C      1.81338331     -0.12979357      0.51217829
+O      1.36434996      0.35899367     -0.84444551
+C      2.14189640      1.50760765     -0.63334349
+C      2.59805919      2.71560040     -1.08054892
+S      3.63617367      3.29194307      0.22767390
+N      3.43487958      1.95919005      1.28044293
+C      2.62194913      1.15780747      0.63101829
+H      2.37597896     -1.06597505      0.40756919
+H      0.94814126     -0.23923788      1.17796384
+H      2.44495853      3.29583419     -1.98478853 
+
+10
+-1112.0304401854794 10.872821 11.16492 -8.765 -7.0429 -9.732 0.4622 -1.1858 -0.466 9.06043 0.93907 4.5049817156 11.293636768 0.27637373
+C      1.84286043      0.25969242      0.31703773
+O      1.35245881      0.54439376     -1.08304904
+C      2.27666540      1.58523817     -1.11575732
+N      2.66978522      2.51301093     -1.94745141
+S      3.88405345      3.32973371     -1.05802881
+C      3.78255221      2.34999995      0.40629957
+C      2.81508829      1.41929801      0.17223387
+H      2.27349775     -0.74845265      0.36095087
+H      1.01966856      0.39009971      1.03038310
+H      4.42694989      2.55725600      1.25674144 
+
+15
+-1601.9845005112577 13.718023 14.44385 -8.0402 -6.196 -7.866 1.077 -0.3379 0.407 7.37996 0.24125 4.1619744466 11.4494003798 0.457753023
+C      0.77533473      0.16892158     -0.00866890
+C      2.26923315      0.07016106     -0.00071343
+C      3.20285461      1.08127306      0.00496845
+C      4.55227393      0.62144615      0.01182676
+C      4.66797253     -0.74963895      0.01142601
+C      5.90366373     -1.60022877      0.01653820
+S      3.08003970     -1.47779670      0.00235865
+H      0.47637002      1.22566273     -0.00094493
+H      0.32489570     -0.31351391      0.87194611
+H      0.33538869     -0.29760929     -0.90311798
+H      2.92185226      2.13509626      0.00457371
+H      5.41693113      1.28603340      0.01719636
+H      5.65827726     -2.67009709      0.02844219
+H      6.52417319     -1.39350181      0.90127717
+H      6.51957939     -1.41228770     -0.87567837 
+
+13
+-1399.4854964345407 12.275604 13.23868 -7.9724 -6.0795 -8.252 0.6645 -0.2385 0.617 7.72438 0.06496 3.8248937084 6.2137691662 0.384429976
+C      0.96077783     -0.02218309     -0.00854027
+C      2.45128110      0.06112224      0.00001420
+C      3.29792148      1.15986908      0.00472908
+C      4.62946027      0.66041317      0.01107970
+Cl      6.08055627      1.62121244      0.01908603
+C      4.58731415     -0.72024531      0.01025675
+N      3.24977659     -1.06584353      0.00344693
+H      0.53297793      0.98764029     -0.00053261
+H      0.57125528     -0.55409563      0.87405087
+H      0.58020297     -0.53630301     -0.90551330
+H      2.99870804      2.20290676      0.00373273
+H      5.38036419     -1.45801884      0.01429753
+H      2.90320391     -2.01865456      0.00145235 
+
+12
+-1322.0706176913648 11.466298 12.59983 -8.5257 -6.5444 -8.599 1.3505 -0.1622 0.094 8.10757 0.54568 3.786656426 10.5435462652 0.627648706
+C      0.98697467     -0.03876703     -0.00736055
+C      2.46404184      0.11287556      0.00085465
+C      3.30050510      1.19631015      0.00406902
+C      4.63050281      0.66659690      0.01124037
+Cl      6.10120668      1.58606525      0.01797237
+C      4.53134187     -0.69499107      0.01205930
+O      3.20516917     -1.04986484      0.00568249
+H      0.51309519      0.94978846     -0.00065586
+H      0.63725704     -0.59603200      0.87452275
+H      0.64494400     -0.58013182     -0.90216926
+H      3.01603603      2.24304430      0.00165142
+H      5.25700559     -1.49857385      0.01687330 
+
+12
+-1295.305220603594 13.88369 14.67714 -8.5037 -6.701 -8.649 0.6631 -0.7746 -0.19 8.08925 0.85506 3.9327491298 10.5687650176 0.837378378
+C      0.87587935      0.10272168     -0.00855466
+C      2.37288729      0.07546905      0.00022479
+C      3.24943314      1.13442609      0.00490814
+C      4.61269331      0.71792130      0.01202763
+Cl      5.94182257      1.85254691      0.01930443
+C      4.78638896     -0.64191656      0.01288400
+S      3.24762856     -1.43934459      0.00476286
+H      0.52430332      1.14246123     -0.00147751
+H      0.45292164     -0.40236659      0.87229724
+H      0.46375346     -0.38662370     -0.90338837
+H      2.94109457      2.17846459      0.00340667
+H      5.71142382     -1.20823942      0.01802478 
+
+14
+-1476.0870831908635 13.416108 13.66441 -7.4326 -5.5844 -7.643 0.9686 -0.2156 0.455 7.20459 0.17984 4.0119141908 11.5257881544 0.396683256
+C      0.79929396      0.15304214     -0.00503374
+C      2.29171397      0.05836667     -0.03601941
+C      3.23060736      1.05634618      0.01461670
+C      4.58464118      0.59894856      0.00152618
+C      4.68551086     -0.77153474     -0.06649791
+N      5.82808309     -1.57390362     -0.19552941
+S      3.09178754     -1.50721705     -0.13534979
+H      0.50325663      1.21012673      0.03657525
+H      0.36807000     -0.34985941      0.87481807
+H      0.33380321     -0.28882028     -0.89979037
+H      2.95501339      2.10983842      0.07632466
+H      5.45191994      1.25747264      0.04876871
+H      5.80717631     -2.41578831      0.37937149
+H      6.68265255     -1.05090794     -0.00810041 
+
+13
+-1405.7249621670235 12.466347 12.8955 -7.842 -5.9384 -8.001 0.8955 -0.4382 0.251 7.57148 0.34492 4.1419011132 11.1090340126 0.372174957
+C      0.81846336      0.12788357     -0.00882047
+C      2.31226749      0.05636437     -0.00008891
+C      3.23660154      1.07018201      0.00457667
+C      4.60017551      0.64321328      0.01187869
+C      4.71219574     -0.72225283      0.01277290
+O      5.88550023     -1.42245963      0.01942343
+S      3.13767102     -1.50030799      0.00448025
+H      0.50843539      1.18171934     -0.00335324
+H      0.37195364     -0.35608660      0.87349617
+H      0.38291305     -0.34375262     -0.90327355
+H      2.94087693      2.11990812      0.00284223
+H      5.46275221      1.30654965      0.01651932
+H      5.70073390     -2.37776068      0.01935652 
+
+14
+-1479.2454083748996 12.883924 13.7149 -8.8597 -7.0852 -9.123 0.5709 -0.909 -0.149 8.38367 0.77134 4.6948786732 10.0146219892 0.368213242
+C      0.86609732      0.07836519     -0.00971369
+C      2.36215382      0.03180695     -0.00004882
+C      3.26613444      1.07345409      0.00807179
+C      4.61750645      0.61471546      0.01473728
+C      5.82831546      1.50614777      0.02561461
+N      4.78603655     -0.70661715      0.01185298
+S      3.27679969     -1.44323996      0.00146778
+H      0.51878204      1.11950186     -0.00193822
+H      0.44043114     -0.42724684      0.86913828
+H      0.45274388     -0.40981068     -0.90422506
+H      2.97645805      2.12428174      0.00910930
+H      5.53954251      2.56430975      0.01003815
+H      6.46480278      1.30441417     -0.84710319
+H      6.43506589      1.32331767      0.92352881 
+
+14
+-1478.1418500281557 13.317273 13.69141 -7.5166 -5.7175 -7.918 1.2297 -0.2081 0.38 7.31004 0.19446 4.1948679324 5.968004117 0.385691183
+C      0.88659339      0.08840196      0.01062057
+C      2.38165341      0.00331439      0.00160679
+C      3.29411300      1.02964680     -0.06089298
+C      4.66097643      0.59622723     -0.05861344
+N      5.73533897      1.49613109     -0.19346720
+C      4.76619311     -0.77773297      0.00480310
+S      3.20149371     -1.53493981      0.05364250
+H      0.57349824      1.14090369      0.01933057
+H      0.45302618     -0.39914510      0.89651638
+H      0.44467036     -0.38633951     -0.87844593
+H      2.99827272      2.07835348     -0.11778316
+H      5.57207471      2.38274829      0.28078817
+H      6.62802241      1.10552714      0.10238927
+H      5.66398336     -1.38884670      0.02063536 
+
+13
+-1359.6454540723928 12.555534 12.92351 -8.0315 -6.2722 -9.1 0.8493 -0.6339 -0.052 8.37 0.62501 4.775754741 10.1452040444 0.368981694
+C      0.90946596      0.04908161      0.00971486
+C      2.40601079      0.02108761      0.00669492
+C      3.28907879      1.07296838     -0.05826613
+C      4.64821257      0.61659633     -0.04920067
+N      5.74570609      1.46530731     -0.17987536
+N      4.83831260     -0.69727760      0.02339128
+S      3.33134440     -1.44995508      0.06573666
+H      0.54756797      1.08472022      0.04286088
+H      0.49737665     -0.48298091      0.87912824
+H      0.49822236     -0.42503374     -0.89352234
+H      2.98867646      2.11842467     -0.12466195
+H      5.64013791      2.36944333      0.27356654
+H      6.62349745      1.01140787      0.06619307 
+
+13
+-1338.1744536046858 13.095039 12.98855 -7.7446 -6.0569 -8.712 0.6327 -0.8768 -0.137 8.02511 0.75913 4.464363902 4.5838740074 0.372211138
+C      0.96363988     -0.00059228      0.01797362
+C      2.45872657      0.00594112      0.07302454
+C      3.28645850      1.08661507      0.02379023
+C      4.70498267      0.77985327      0.00093973
+N      5.78006260      1.48161370     -0.05241392
+S      4.84309271     -1.02691451      0.10991950
+N      3.10218862     -1.21689259      0.22680538
+H      0.57817263      1.02270962     -0.05304352
+H      0.53971854     -0.47587051      0.91431327
+H      0.60190885     -0.56101915     -0.85868478
+H      2.93038477      2.11479029     -0.00212586
+H      5.55534682      2.48390803     -0.05564202
+H      2.74293683     -1.99226205     -0.33333618 
+
+13
+-1408.6339010874365 12.38713 12.9044 -7.9014 -6.1073 -8.191 1.1004 -0.3987 0.182 7.64916 0.39648 4.2552863102 6.1611495078 0.380462197
+C      0.87735856      0.11631609     -0.00853148
+C      2.37308170      0.05076063      0.00035865
+C      3.27531061      1.09009275      0.00515336
+C      4.63760620      0.65615643      0.01224881
+O      5.73157740      1.48974869      0.01821673
+C      4.77021591     -0.71218889      0.01286383
+S      3.21295741     -1.47773551      0.00467997
+H      0.55010265      1.16434848     -0.00090276
+H      0.44067901     -0.37843796      0.87171848
+H      0.45202563     -0.36197947     -0.90339634
+H      2.97148542      2.13843997      0.00368386
+H      5.41650864      2.40975970      0.01664128
+H      5.68246087     -1.29894090      0.01795564 
+
+12
+-1289.5210931218462 11.929198 12.14937 -8.1886 -6.5384 -9.881 0.4879 -1.1033 -0.569 9.41353 1.12047 4.1707526554 10.5687774162 0.388256088
+C      0.88375714      0.05751971     -0.00798589
+C      2.37871226      0.02986624      0.00004323
+C      3.25650480      1.06490654      0.00447754
+C      4.67062581      0.68362616      0.01142167
+O      5.68189225      1.38372188      0.01689399
+N      4.71445786     -0.72108243      0.01104547
+S      3.19724686     -1.52569207      0.00395361
+H      0.53027180      1.09577407     -0.00253145
+H      0.46881094     -0.45135183      0.87412793
+H      0.47892320     -0.43855540     -0.90204386
+H      2.96565099      2.11280207      0.00326982
+H      5.58808609     -1.24128494      0.01655794 
+
+12
+-1283.6433743809034 11.654651 12.20473 -8.7379 -6.9289 -9.228 0.8727 -0.6785 -0.333 8.54 0.91845 4.6137422348 9.8898796746 0.363179717
+C      0.97325521     -0.00583907      0.00338283
+C      2.47596271      0.05447774      0.00258688
+N      3.06939302      1.24631145     -0.00101815
+S      4.74188094      1.03344429      0.00086105
+C      4.65345647     -0.70486385      0.00622413
+O      5.79352537     -1.44161757      0.00879412
+C      3.32842938     -1.08843325      0.00665019
+H      0.61798360     -1.04352788     -0.01147721
+H      0.56652020      0.51577810     -0.87395950
+H      0.56833945      0.48886275      0.89721106
+H      5.55616437     -2.38704079      0.01116669
+H      2.98243928     -2.12149193      0.00937792 
+
+12
+-1287.0606642071918 12.133683 12.19476 -8.3182 -6.6022 -9.325 0.3951 -1.1342 -0.66 8.69281 1.38117 3.8349365744 4.3728870312 0.271487422
+C      0.97679966     -0.00200216      0.01130301
+C      2.47254594      0.01040322      0.05271680
+C      3.28987659      1.10891494      0.00307054
+C      4.70433567      0.83868676     -0.02548138
+O      5.67782863      1.56517831     -0.06876870
+S      4.85236501     -1.03963178      0.06109995
+N      3.12796691     -1.18859122      0.17993997
+H      0.58792721      1.02056349     -0.04468901
+H      0.56246735     -0.48493110      0.90797754
+H      0.61035131     -0.55396774     -0.86802553
+H      2.93088382      2.13465348     -0.01774768
+H      2.71363191     -2.03802620     -0.19946552 
+
+15
+-1461.7635358723262 11.06111 12.44531 -10.0032 -8.1464 -10.122 0.7032 -0.259 0.204 9.76259 0.25012 5.22353018 10.811703186 0.141391058
+C      0.87763208      0.05200312      0.03285078
+C      2.38892139      0.03403711     -0.01860062
+C      3.19025985      1.02744192      0.86722352
+C      4.30258022      0.06773286      1.35568842
+S      3.25031783     -1.35655171      0.86220635
+O      2.44172654     -1.81161490      2.00757518
+O      3.91724565     -2.32074350     -0.02453012
+H      0.44756031     -0.73775204     -0.59747777
+H      0.49906819      1.01781459     -0.33314513
+H      0.52385882     -0.09575215      1.06249094
+H      2.77677293      0.01251338     -1.04828038
+H      2.57475368      1.37695861      1.70661629
+H      3.56900739      1.89599579      0.31457490
+H      5.20877971      0.07230541      0.73792084
+H      4.54594540      0.07752151      2.42310680 
+
+15
+-1601.5922608726155 13.561051 14.16174 -8.1709 -6.3228 -7.999 1.0571 -0.3981 0.33 7.41301 0.28294 4.2113456718 6.1655510108 0.376155638
+C      0.84355012      0.00678707     -0.00319550
+C      2.34198691     -0.00797443     -0.00396657
+C      3.21844267      1.06308157     -0.00133985
+C      2.79522912      2.51012971      0.00368684
+C      4.58686387      0.64426248     -0.00412837
+C      4.74613873     -0.71855236     -0.00887584
+S      3.21302529     -1.52245581     -0.00983540
+H      0.47561053      1.04098136      0.00951755
+H      0.42698550     -0.50467239      0.87793146
+H      0.42628381     -0.48300464     -0.89631656
+H      3.67387042      3.16839108      0.00896895
+H      2.19222873      2.75855462      0.89024924
+H      2.19714423      2.76617546     -0.88405473
+H      5.42477416      1.34194359     -0.00252385
+H      5.66377591     -1.29917729     -0.01151735 
+
+14
+-1475.8801492265186 13.271513 13.472 -7.4413 -5.6154 -7.677 0.7973 -0.2806 0.381 7.13592 0.23254 3.978958712 6.1106252128 0.338024062
+C      0.94224486     -0.00062787     -0.03447951
+C      2.44561051      0.02828482     -0.00787418
+C      3.18343004      1.18971529      0.14065742
+N      2.70152241      2.48645232      0.36917510
+S      4.90419598      0.86593290      0.15293443
+C      4.63121694     -0.84100645     -0.06714606
+C      3.29128535     -1.12027310     -0.12433586
+H      0.52670890      0.72994449     -0.74911119
+H      0.50436632      0.21952810      0.95336821
+H      0.57811674     -0.98990557     -0.34146191
+H      3.26224507      3.22048582     -0.06134852
+H      1.72565407      2.58848324      0.09137396
+H      5.48097166     -1.51091253     -0.14670737
+H      2.90249117     -2.13026148     -0.25821451 
+
+13
+-1405.7492581288836 12.391949 12.83545 -7.9137 -6.0274 -8.103 0.8325 -0.461 0.197 7.56852 0.37065 4.1806343396 6.1948736998 0.38452995
+C      0.92617670     -0.00619488     -0.00616196
+C      2.42805845      0.03644205     -0.00310000
+C      3.16793196      1.19761220     -0.00484058
+O      2.63585088      2.45976153     -0.01039432
+S      4.89555370      0.89731335     -0.00130864
+C      4.62378134     -0.82393741      0.00323892
+C      3.28474853     -1.11201785      0.00147157
+H      0.50382379      1.00603296      0.00459817
+H      0.54115082     -0.54303752      0.87431562
+H      0.54368872     -0.52258511     -0.90000970
+H      3.34963186      3.11974026     -0.00321331
+H      5.47603498     -1.49566940      0.00729652
+H      2.90308828     -2.13345019      0.00383773 
+
+15
+-1465.858397191471 13.670284 14.15809 -7.9008 -6.1452 -8.748 0.6513 -0.8298 -0.136 7.84805 0.91666 3.1040639016 11.5188201412 0.227807503
+C      0.79157977     -0.18248025     -0.47625465
+C      2.16194192      0.23276917     -0.00631011
+C      3.39358458     -0.57283487     -0.31168006
+N      3.10434862      0.69272000     -1.01364063
+C      3.88562286      1.83471430     -0.83292625
+N      5.13859478      1.71194338     -1.36691420
+S      3.35210969      3.22660568     -0.07595872
+H      0.15067354      0.70011074     -0.60932672
+H      0.31707071     -0.84386864      0.26282616
+H      0.85010188     -0.71416132     -1.43574541
+H      2.19710162      0.80768766      0.92593253
+H      3.31704356     -1.47782890     -0.92046919
+H      4.20693656     -0.55516771      0.41837084
+H      5.30561205      0.98197633     -2.05544480
+H      5.67302787      2.57036445     -1.45190878 
+
+14
+-1481.5715285495548 12.974507 13.68788 -8.5811 -6.6696 -8.242 0.8007 -0.6788 0.146 7.77687 0.60602 4.1557503494 11.569939569 0.392366617
+C      0.77565074      0.17212762     -0.00865236
+C      2.26260285      0.01473912     -0.00105837
+C      3.23369194      0.98721532      0.00388127
+N      4.54296338      0.56859681      0.01062038
+C      4.62493163     -0.73669319      0.01098131
+C      5.90103631     -1.51734126      0.01670806
+S      3.05344289     -1.54216400      0.00298142
+H      0.51937164      1.24008187     -0.00267645
+H      0.30869869     -0.29124078      0.87299656
+H      0.31913615     -0.27884486     -0.90217116
+H      3.01676453      2.05622529      0.00305646
+H      5.71463156     -2.59793832      0.02768236
+H      6.50052258     -1.25706260      0.90055058
+H      6.49833511     -1.27520103     -0.87387005 
+
+13
+-1360.2394610313938 12.647862 12.89734 -7.9126 -6.0286 -8.083 1.0307 -0.3649 0.264 7.63923 0.43529 4.1065527046 10.5350532242 0.214082118
+C      0.82575760      0.13208944      0.00172982
+C      2.31147837     -0.02344627     -0.02603122
+C      3.28939364      0.93246185      0.00927042
+N      4.60332467      0.51037452     -0.00424181
+C      4.66276573     -0.79343876     -0.06072718
+N      5.84043219     -1.51516609     -0.17091938
+S      3.08729948     -1.60518068     -0.10601538
+H      0.57340943      1.20057800      0.03947144
+H      0.37483366     -0.35049862      0.88243594
+H      0.34640929     -0.29412068     -0.89271348
+H      3.08109175      2.00196420      0.05806472
+H      5.84176626     -2.42748161      0.27815436
+H      6.65289795     -0.95255531      0.07779172 
+
+12
+-1301.9419914666123 11.780946 12.10515 -8.1492 -6.3013 -8.921 0.7096 -0.277 0.1 8.51005 0.65222 4.4461503586 10.462000673 0.259146856
+C      0.83521392      0.11330471     -0.00876671
+C      2.32580688      0.03778048     -0.00062432
+C      3.21482898      1.05761885      0.00596859
+N      4.54911137      0.66376058      0.01255731
+C      4.80922582     -0.69605343      0.01178676
+O      5.89841984     -1.24054794      0.01696067
+S      3.17692903     -1.51539022      0.00131508
+H      0.51210400      1.16326462     -0.00673539
+H      0.39991575     -0.37792741      0.87457270
+H      0.40990510     -0.37145680     -0.90052342
+H      2.97666136      2.11842457      0.00648745
+H      5.33174797      1.31224199      0.01813128 
+
+13
+-1355.6225451752048 14.281283 14.00965 -8.0214 -6.2668 -8.807 0.6965 -0.8187 -0.202 7.82026 0.9696 3.283893196 10.8650295646 1.026935344
+C      1.05662471     -0.08248850      0.27245025
+C      2.35855442      0.00444633     -0.04417142
+C      3.21317488      1.26487043     -0.12788158
+N      4.50928515      0.72420013     -0.52056068
+C      4.51381806     -0.63293160     -0.65728655
+S      5.78898153     -1.61724143     -1.08255493
+N      3.22402441     -1.04130986     -0.36812793
+H      0.53740212     -1.03896405      0.30444043
+H      0.48765183      0.81454893      0.50687253
+H      3.26068374      1.78189191      0.84473864
+H      2.81690293      1.96960074     -0.87712711
+H      5.35289245      1.26238288     -0.67378703
+H      2.97475378     -2.02364591     -0.40918460 
+
+15
+-1494.0422362122179 13.663062 14.34048 -7.7681 -5.9807 -8.734 0.6977 -0.3294 -0.023 7.83215 0.78956 3.2409568442 10.8916493588 1.132776125
+C      0.95584009     -0.00183900      0.07463188
+C      2.47725274     -0.01468332      0.03998771
+C      3.14647269      1.16814304      0.77196505
+N      4.41620326      0.56939612      1.18281598
+C      4.29264128     -0.79664037      1.31913617
+S      5.40728390     -1.83219183      2.00558079
+N      3.07223118     -1.13855197      0.77869491
+H      0.54122612     -0.88335337     -0.43415119
+H      0.56904587      0.88893046     -0.44109162
+H      0.59147300      0.00308897      1.11132867
+H      2.82630737     -0.02918978     -1.01151022
+H      2.53584124      1.47414870      1.64257846
+H      3.29532163      2.03526311      0.11479217
+H      5.05656327      1.04046166      1.81491114
+H      2.95790637     -2.10004242      0.46989011 
+
+13
+-1398.7567610035303 12.084138 12.82385 -8.1336 -6.2326 -8.403 0.7357 -0.1753 0.58 7.83077 0.07221 3.9484333588 11.4648490354 0.475518036
+C      0.92629226      0.02322229     -0.00858102
+C      2.42185772      0.00563710     -0.00093730
+C      3.28086343      1.09430015      0.00511890
+N      4.57972067      0.63139905      0.01072884
+C      4.59186713     -0.74506224      0.00854797
+C      3.26757768     -1.14476659      0.00132070
+Cl      2.71766099     -2.79656974     -0.00390060
+H      0.54600419      1.05305749     -0.00173318
+H      0.51527135     -0.49752821      0.86943341
+H      0.52420449     -0.48235397     -0.89957189
+H      3.06084869      2.15691454      0.00585402
+H      5.40684434      1.21587189      0.01592347
+H      5.50872706     -1.32198176      0.01227669 
+
+13
+-1352.4148613152865 12.91376 12.96408 -7.5015 -5.6971 -8.366 0.9518 -0.1798 0.629 7.85941 -0.01295 4.7225523484 8.2410890494 0.365463258
+C      0.79216517      0.15720775     -0.00951424
+C      2.28060075      0.06343796     -0.00095459
+C      3.19527659      1.05890563      0.00513420
+N      4.51804367      0.63977978      0.01235896
+C      4.74829464     -0.72802306      0.01293951
+N      5.92375685     -1.24031946      0.01980705
+S      3.11204234     -1.51095397      0.00251723
+H      0.48334449      1.21155340     -0.00870020
+H      0.34802945     -0.32622336      0.87448053
+H      0.35843529     -0.32185366     -0.90103313
+H      2.98077731      2.12508066      0.00477434
+H      5.31600257      1.26809441      0.01808012
+H      5.90921087     -2.26241608      0.01918021 
+
+12
+-1301.9419914666123 11.780946 12.10515 -8.1492 -6.3013 -8.921 0.7096 -0.277 0.1 8.51005 0.65222 4.4461503586 10.462000673 0.259146856
+C      0.83521392      0.11330471     -0.00876671
+C      2.32580688      0.03778048     -0.00062432
+C      3.21482898      1.05761885      0.00596859
+N      4.54911137      0.66376058      0.01255731
+C      4.80922582     -0.69605343      0.01178676
+O      5.89841984     -1.24054794      0.01696067
+S      3.17692903     -1.51539022      0.00131508
+H      0.51210400      1.16326462     -0.00673539
+H      0.39991575     -0.37792741      0.87457270
+H      0.40990510     -0.37145680     -0.90052342
+H      2.97666136      2.11842457      0.00648745
+H      5.33174797      1.31224199      0.01813128 
+
+13
+-1336.2245646000467 12.824024 12.69351 -7.8245 -6.066 -8.645 0.5963 -0.9026 -0.2 8.08116 0.78893 4.410491985 4.5016340936 0.315286253
+C      0.96734197      0.04975869     -0.00274837
+C      2.46365439      0.01114980     -0.02580221
+C      3.29509299      1.08453248     -0.08090540
+N      4.65159950      0.82870720     -0.22270800
+S      4.94877170     -0.89453560     -0.09013955
+C      3.18156625     -1.26432293      0.00623474
+N      2.79420649     -2.48920081      0.05498300
+H      0.59745614      1.08305253     -0.01098024
+H      0.56950364     -0.44637200      0.89636377
+H      0.54051253     -0.46765368     -0.87709761
+H      2.99049616      2.13181088     -0.06225970
+H      5.27996954      1.38499471      0.36022658
+H      1.76825870     -2.54334127      0.04599298 
+
+12
+-1284.7124669849768 11.958613 12.01708 -8.2739 -6.5755 -9.14 0.4043 -1.1944 -0.757 8.65456 1.46239 3.757271744 10.6123212994 0.315499968
+C      0.95547991      0.04134981      0.00481110
+C      2.45316840     -0.00106420     -0.01170347
+C      3.29950833      1.06815028     -0.06872575
+N      4.64199766      0.79914508     -0.19458457
+S      4.97054525     -0.89838902     -0.04949801
+C      3.14420170     -1.27986920      0.03066560
+O      2.70550008     -2.41499543      0.07526055
+H      0.58817074      1.07557184      0.00074926
+H      0.56005873     -0.46828568      0.89520814
+H      0.53890874     -0.47951591     -0.87009444
+H      3.00137479      2.11671395     -0.05681528
+H      5.31522568      1.41838849      0.25439687 
+
+14
+-1334.7014425116877 10.403174 11.75392 -9.8562 -7.9381 -10.494 0.7058 -0.2769 0.094 10.14432 0.41213 5.4663691596 11.032584245 0.174392019
+C      0.85220771      0.06717531      0.21264894
+C      2.33310052      0.03858915     -0.11611219
+C      3.24656362      1.01720237      0.66497004
+N      3.75496177      0.03539364      1.67124448
+S      3.27626033     -1.32066081      0.70809466
+O      2.47099759     -2.27008078      1.47546981
+O      4.37180958     -1.81032162     -0.14255754
+H      0.33896691     -0.80350786     -0.21553464
+H      0.39615516      0.97376040     -0.21121031
+H      0.68507222      0.06388748      1.29770857
+H      2.53133860      0.00348376     -1.19448314
+H      2.68670383      1.82398892      1.15809864
+H      4.03587581      1.44152728      0.02750520
+H      4.76226635      0.06157275      1.85585748 
+
+14
+-1476.971134123106 12.706986 13.31326 -8.8845 -7.0739 -8.892 0.5509 -0.9624 -0.254 8.19548 0.88564 4.4348304368 10.0543719008 0.588688887
+C      0.87146165     -0.02935717     -0.00333851
+C      2.36843791     -0.00620491     -0.00431388
+C      3.22234444      1.08680297     -0.00151671
+C      2.80101363      2.53072389      0.00381865
+C      4.57850269      0.64618803     -0.00463048
+N      4.81741533     -0.65920656     -0.00898432
+S      3.33456510     -1.44782145     -0.01037630
+H      0.47146387      0.99274504      0.00953455
+H      0.47466057     -0.55579382      0.87705413
+H      0.47336885     -0.53379407     -0.89602604
+H      3.68022732      3.18816607      0.00947320
+H      2.19849323      2.77784877      0.89061090
+H      2.20376660      2.78600171     -0.88424390
+H      5.43723882      1.32293152     -0.00303129 
+
+12
+-1281.5637248256799 11.569337 12.00611 -8.7074 -6.8384 -8.929 0.5813 -0.853 -0.432 8.29078 1.03905 4.3088606608 9.8776050606 0.609466792
+C      0.95195478     -0.00536566      0.00531067
+C      2.45268088      0.02559436      0.00238332
+C      3.21983695      1.17811359      0.00293076
+O      2.70291008      2.43745104      0.00597876
+S      4.91263161      0.75875372     -0.00077249
+N      4.63723855     -0.90607531     -0.00307478
+C      3.32130217     -1.09878612     -0.00114306
+H      0.58736786     -1.04052915     -0.00654192
+H      0.53651093      0.51093529     -0.87268299
+H      0.54017421      0.48913985      0.89756039
+H      3.42035949      3.09514130      0.00434702
+H      2.96628250     -2.13311290     -0.00236568 
+
+12
+-1319.968181753278 11.188646 12.09559 -8.669 -6.7097 -8.779 1.2947 -0.2173 0.038 8.23393 0.56268 3.8953549522 10.4100257418 0.639753707
+C      0.91782400      0.02623242     -0.00845580
+C      2.41128237      0.00451480     -0.00116110
+C      3.27821898      1.06256962      0.00453823
+O      4.58679583      0.64342680      0.00996912
+C      4.56352547     -0.72481782      0.00794562
+C      3.26615709     -1.15323957      0.00115346
+Cl      2.73188899     -2.80371754     -0.00348879
+H      0.54041492      1.05644971     -0.00149908
+H      0.51017072     -0.49520884      0.86997193
+H      0.51882928     -0.47996516     -0.89974733
+H      3.12816233      2.13679413      0.00547083
+H      5.51847002     -1.23561853      0.01187289 
+
+13
+-1269.602997182217 9.709835 11.17255 -10.6161 -8.6951 -10.899 0.6935 -0.3836 -0.238 10.53563 0.71793 5.4090008374 11.0335389372 0.137855661
+C      0.86324595      0.05067297      0.02782565
+C      2.37530314      0.05374711     -0.01388190
+C      3.15348983      1.01375289      0.90408214
+O      4.06548495      0.04450659      1.52368742
+S      3.23794372     -1.29248297      0.90585152
+O      2.39911596     -1.89104194      1.94218944
+O      4.14564280     -2.11052686      0.10994525
+H      0.45286478     -0.76442444     -0.58213214
+H      0.47933608      0.99794468     -0.37773178
+H      0.49797494     -0.06533986      1.05655007
+H      2.77977274      0.03755432     -1.03488316
+H      2.51845086      1.47659989      1.67355576
+H      3.74577426      1.77129761      0.37576174 
+
+12
+-1295.93426735659 13.734377 14.37915 -8.6545 -6.8845 -8.814 0.7476 -0.7235 -0.236 8.19247 0.8617 4.03822402 10.4924268374 0.546901473
+C      0.93841472      0.00341824     -0.00898404
+C      2.43652989      0.04575829     -0.00123173
+C      3.20290668      1.18905857      0.00406676
+S      4.90434098      0.85884700      0.01186189
+C      4.62829795     -0.84777758      0.00837649
+C      3.28168083     -1.11254528      0.00137595
+Cl      2.63665415     -2.73760118     -0.00373724
+H      0.51731145      1.01623881     -0.00346361
+H      0.55465031     -0.53647349      0.86928312
+H      0.56333170     -0.52305498     -0.89914166
+H      2.85685427      2.21904632      0.00373160
+H      5.45415706     -1.55079472      0.01163245 
+
+15
+-1601.6916956857249 13.544878 14.22274 -8.3294 -6.5041 -8.218 1.1297 -0.3439 0.306 7.57808 0.26868 4.3640716266 11.5915503288 0.486529627
+C      0.95383408      0.02874004     -0.01100710
+C      2.45747704      0.05611869     -0.00186970
+C      3.19807433      1.21806778      0.00817853
+S      4.90043522      0.91111681      0.01759879
+C      4.63209655     -0.79748125      0.00784148
+C      3.29150840     -1.11822588     -0.00217278
+C      2.77136149     -2.53294940     -0.01338848
+H      0.54277094      1.04644522     -0.00643412
+H      0.55340230     -0.49682640      0.86970176
+H      0.56377434     -0.48485397     -0.90334831
+H      2.83459364      2.24218261      0.01108532
+H      5.48309614     -1.47378836      0.01010557
+H      1.67430086     -2.55701744     -0.00381470
+H      3.12150388     -3.09702504      0.86357729
+H      3.10520078     -3.07709340     -0.90928354 
+
+14
+-1478.6244459033244 13.254567 13.51992 -7.6142 -5.8289 -8.087 0.9254 -0.2179 0.333 7.43831 0.20171 4.2916762012 5.9583828034 0.362064264
+C      0.95380273     -0.00857756      0.03048245
+C      2.45371820      0.04559559      0.01179961
+C      3.20466626      1.19729985     -0.03722918
+S      4.90481268      0.88264537     -0.02106259
+C      4.63288162     -0.83037564      0.03704202
+C      3.28556913     -1.13072903      0.05355685
+N      2.73631184     -2.41956975      0.18616617
+H      0.52032139      0.99936251      0.01497325
+H      0.58492687     -0.52357538      0.93171496
+H      0.55280179     -0.55022471     -0.84302071
+H      2.84646602      2.22250221     -0.07487367
+H      5.47738177     -1.51282841      0.06530072
+H      1.85670219     -2.53619813     -0.31475719
+H      3.38134750     -3.16402692     -0.06961267 
+
+13
+-1409.1757086690545 12.349147 12.78949 -8.0397 -6.2577 -8.384 1.1951 -0.3356 0.135 7.78688 0.40373 4.3736929402 6.1309465182 0.386749994
+C      0.94711475     -0.01926686     -0.00937158
+C      2.44731880      0.04171559     -0.00142437
+C      3.20506905      1.19096950      0.00463058
+S      4.90318008      0.86194440      0.01234645
+C      4.63023413     -0.84832548      0.00772631
+C      3.28291805     -1.12649474      0.00042352
+O      2.80654087     -2.41602889     -0.00442639
+H      0.51205391      0.98790167     -0.00302828
+H      0.55443736     -0.54800324      0.87519086
+H      0.56320604     -0.53341680     -0.90627778
+H      2.85555439      2.21968109      0.00492503
+H      5.45897239     -1.54807331      0.01057956
+H      1.83383018     -2.38245293     -0.00936392 
+
+15
+-1601.8975785765529 13.658411 14.47836 -8.1469 -6.3032 -8.032 1.0377 -0.4022 0.353 7.44376 0.26135 4.254517597 11.7990904942 0.471411699
+C      0.85296702      0.11533546     -0.00947472
+C      2.34748011      0.02336917      0.00015024
+C      3.27361168      1.04162548      0.00880105
+C      4.63730479      0.60793211      0.01509382
+C      5.81957023      1.54188839      0.02645514
+C      4.72584098     -0.76666687      0.01102481
+S      3.16422153     -1.51926259     -0.00016469
+H      0.54734002      1.17003094     -0.00196297
+H      0.40506278     -0.37027476      0.87045121
+H      0.41765304     -0.35395137     -0.90451113
+H      2.98341638      2.09373809      0.01029562
+H      5.49081077      2.58929993      0.00774961
+H      6.46977544      1.38139814     -0.84602223
+H      6.43565087      1.40283421      0.92712272
+H      5.61879435     -1.38657632      0.01424153 
+
+14
+-1483.2348790968751 12.944914 13.79437 -8.5636 -6.6556 -8.369 0.8263 -0.6675 0.116 7.7783 0.59684 4.232076131 11.5664555624 0.430740822
+C      0.91328969      0.09177219     -0.00586274
+C      2.40497939     -0.01319231     -0.00145259
+N      3.22273902      1.00829360      0.00348942
+C      4.54822567      0.61443332      0.00659291
+C      5.62297151      1.65827886      0.01168840
+C      4.74499685     -0.74522582      0.00402812
+S      3.22436085     -1.57662627     -0.00271060
+H      0.63950519      1.15318518      0.00226962
+H      0.47158521     -0.39347802      0.87624692
+H      0.47813847     -0.37785007     -0.89967585
+H      6.62074984      1.20280267      0.02395494
+H      5.52366068      2.30916245      0.89252732
+H      5.54167681      2.29992918     -0.87785655
+H      5.68168081     -1.29531497      0.00579068 
+
+14
+-1476.5858514246202 13.370117 13.70775 -7.5277 -5.6797 -7.802 0.8917 -0.193 0.432 7.24585 0.16884 4.1115369418 6.12304861 0.381502769
+C      0.94117921      0.00158578      0.01988755
+C      2.44215228      0.06759175     -0.01811060
+C      3.16484606      1.23436920     -0.02569975
+S      4.88425805      0.93789011     -0.08547874
+C      4.62879048     -0.79697051     -0.06970004
+N      5.72071469     -1.66664579     -0.18505243
+C      3.28436454     -1.09311303     -0.04153300
+H      0.49916209      1.00476107      0.07733829
+H      0.58944260     -0.57385456      0.89005003
+H      0.54275261     -0.49239306     -0.87997252
+H      2.80424550      2.25837151      0.00645776
+H      5.47722839     -2.62624898      0.05601948
+H      6.54091011     -1.37331154      0.34441689
+H      2.90267339     -2.11488196     -0.03089290 
+
+13
+-1362.0914826867634 12.6336 13.0271 -7.9205 -6.0553 -8.198 1.0528 -0.3016 0.249 7.61781 0.413 4.18514743 11.0340844756 0.272340086
+C      1.01745688     -0.05473522      0.01125055
+C      2.50760144      0.09511735     -0.01551217
+C      3.19026947      1.28252516     -0.00769532
+S      4.91354757      0.99693598     -0.05477484
+C      4.56657593     -0.73914415     -0.06167761
+N      5.58385758     -1.67176349     -0.16789525
+N      3.29563646     -1.04458619     -0.04114598
+H      0.51947504      0.92219810      0.03962614
+H      0.70382698     -0.63496531      0.89166338
+H      0.66968659     -0.60046253     -0.87838197
+H      2.80149025      2.29562598      0.02601401
+H      5.26861114     -2.61174382      0.06582427
+H      6.46130468     -1.42398186      0.28146478 
+
+13
+-1350.5888546301524 12.769283 13.00564 -7.478 -5.6746 -8.491 0.571 -0.4111 0.621 7.95853 -0.02869 4.8973106154 10.760868926 0.214545806
+C      0.95513817     -0.01706469     -0.00905028
+C      2.44072582      0.13159785     -0.00047882
+C      3.16821057      1.27178718      0.00425770
+S      4.90256352      0.95803048      0.01355042
+C      4.62958330     -0.82020774      0.01115403
+N      5.60230437     -1.65552389      0.01635615
+N      3.24581720     -1.01047158      0.00312887
+H      0.47637941      0.96906017     -0.00823076
+H      0.60078820     -0.56778967      0.87677338
+H      0.61040275     -0.56174230     -0.90238465
+H      2.78791319      2.28747924      0.00272111
+H      5.27769169     -2.62890028      0.01400937
+H      2.85724182     -1.94866476      0.00116349 
+
+13
+-1406.4634970185564 12.414303 12.95752 -7.9673 -6.0771 -8.205 0.7814 -0.2051 0.203 7.67661 0.36881 4.2577908274 6.1817063866 0.383867486
+C      0.94754987      0.00790644     -0.00843888
+C      2.44936955      0.05068789     -0.00035950
+C      3.19214691      1.20515105      0.00257138
+S      4.90950221      0.89376479      0.01084421
+C      4.61524959     -0.82855027      0.01045809
+O      5.70711333     -1.64870704      0.01643946
+C      3.27477066     -1.12426565      0.00423665
+H      0.52171881      1.01956812     -0.00108110
+H      0.55971930     -0.52879366      0.87101962
+H      0.56875320     -0.51200998     -0.90188234
+H      2.84235006      2.23354129      0.00029481
+H      5.39203214     -2.57049850      0.01583467
+H      2.88351436     -2.14233447      0.00321294 
+
+12
+-1303.3104894876117 11.754165 12.1761 -8.1216 -6.272 -8.998 0.631 -0.4129 0.085 8.52151 0.63608 4.4262506056 11.0545049698 0.289793856
+C      0.97376416     -0.02520779     -0.00827595
+C      2.46121284      0.10347117     -0.00094493
+C      3.20292489      1.23735585      0.00339572
+S      4.92859569      0.91113650      0.01152515
+C      4.63071379     -0.88671754      0.00938495
+O      5.47247729     -1.76673324      0.01352885
+N      3.25209070     -1.04568625      0.00206693
+H      0.51009649      0.96815762     -0.00395640
+H      0.61305445     -0.57313803      0.87630293
+H      0.62054043     -0.56208017     -0.90262083
+H      2.82550047      2.25469200      0.00227296
+H      2.87156879     -1.98893011      0.00006062 
+
+12
+-1303.3104894876117 11.754165 12.1761 -8.1216 -6.272 -8.998 0.631 -0.4129 0.085 8.52151 0.63608 4.4262506056 11.0545049698 0.289793856
+C      0.97376416     -0.02520779     -0.00827595
+C      2.46121284      0.10347117     -0.00094493
+C      3.20292489      1.23735585      0.00339572
+S      4.92859569      0.91113650      0.01152515
+C      4.63071379     -0.88671754      0.00938495
+O      5.47247729     -1.76673324      0.01352885
+N      3.25209070     -1.04568625      0.00206693
+H      0.51009649      0.96815762     -0.00395640
+H      0.61305445     -0.57313803      0.87630293
+H      0.62054043     -0.56208017     -0.90262083
+H      2.82550047      2.25469200      0.00227296
+H      2.87156879     -1.98893011      0.00006062 
+
+14
+-1478.391070221704 12.773269 13.44715 -8.7687 -6.9822 -9.225 0.6579 -0.8825 -0.229 8.51369 0.81738 4.7205685724 11.2951741944 0.386617889
+C      0.94546387      0.03915733     -0.00959841
+C      2.44838150      0.06051729     -0.00242516
+C      3.22550883      1.20081282      0.00675132
+S      4.88899644      0.76751662      0.01294437
+N      4.60708137     -0.88553048      0.00340142
+C      3.29276178     -1.10284931     -0.00398693
+C      2.80118734     -2.52443015     -0.01421104
+H      0.53577900      1.05703940     -0.00408133
+H      0.54640031     -0.48607854      0.87133511
+H      0.55453871     -0.47330097     -0.90163860
+H      2.89693414      2.23753205      0.01038177
+H      1.70572453     -2.57234588     -0.00733530
+H      3.17801323     -3.06842052      0.86306602
+H      3.16543895     -3.05157966     -0.90711327 
+
+13
+-1359.376830024638 12.487595 12.74196 -8.0623 -6.2885 -9.263 0.9058 -0.6158 -0.13 8.50561 0.66129 4.8374005802 11.6052383832 0.197670935
+C      0.94367614      0.00611712      0.02296296
+C      2.44283859      0.04924290      0.00752248
+C      3.23380889      1.17343956     -0.03578545
+S      4.89807967      0.72760649     -0.00721926
+N      4.60122587     -0.92858719      0.04368158
+C      3.28549837     -1.11992853      0.05423658
+N      2.77433817     -2.40961395      0.18124179
+H      0.51543653      1.01611764      0.03156560
+H      0.57234137     -0.52756445      0.91189148
+H      0.54153308     -0.51271125     -0.86318171
+H      2.91701603      2.21339837     -0.07148550
+H      1.90138749     -2.57401091     -0.31464693
+H      3.46906981     -3.12868580     -0.01061363 
+
+12
+-1289.6299595394892 11.89702 12.09671 -8.1754 -6.4755 -9.714 0.5398 -1.071 -0.614 9.35517 1.10999 4.133321282 11.3433303568 0.356719017
+C      0.94716307      0.01491190     -0.00818795
+C      2.44002890      0.07954500     -0.00073438
+C      3.21555025      1.19356478      0.00458351
+S      4.92855363      0.87455770      0.01242071
+N      4.58744121     -0.80703719      0.00836036
+C      3.23234750     -1.16394608      0.00153046
+O      2.83962690     -2.33099703     -0.00172333
+H      0.49647427      1.01476683     -0.00548916
+H      0.58461281     -0.54189778      0.86859245
+H      0.59283348     -0.53324198     -0.89377288
+H      2.89810475      2.23411763      0.00444673
+H      5.33438322     -1.49668376      0.01158346 
+
+15
+-1460.283802311388 11.053587 12.59948 -10.1731 -8.2705 -10.186 0.6337 -0.3526 0.257 9.83285 0.05488 5.2486249464 11.8251523514 0.144598994
+C      0.94139808     -0.01405391      0.11621712
+C      2.46335587      0.01745531      0.02867774
+C      3.15187162      1.16444306      0.82511162
+S      4.44089943     -0.01387939      1.38428023
+O      4.58728358     -0.08258495      2.84461997
+O      5.61745400      0.04972853      0.50241568
+C      3.19317108     -1.17660807      0.71091963
+H      0.53370535     -0.88572869     -0.41505649
+H      0.50151097      0.88774071     -0.33273844
+H      0.60961985     -0.06873564      1.16400465
+H      2.78147228      0.07428360     -1.02226205
+H      2.57551433      1.50496155      1.69570556
+H      3.54985073      2.00974642      0.25379035
+H      3.61964306     -1.94768582      0.06059701
+H      2.63057978     -1.62046270      1.54311741 
+
+14
+-1335.8490732724133 10.470469 12.03061 -9.8994 -7.9998 -10.558 0.633 -0.3918 0.231 10.21653 0.22429 5.5017175682 11.3425864408 0.169987571
+C      0.96863240     -0.04327009      0.10877040
+C      2.48182658      0.05519827      0.00610972
+C      3.14732929      1.18126964      0.83602594
+S      4.40779366     -0.03772028      1.34053812
+O      4.57466153     -0.20922588      2.78180178
+O      5.58868152      0.01969160      0.46668279
+N      3.17973098     -1.07598916      0.70938045
+H      0.59999927     -0.92815137     -0.42812491
+H      0.49316425      0.84343521     -0.33443837
+H      0.66126022     -0.12686622      1.16012658
+H      2.80029008      0.13538501     -1.04619979
+H      2.56305133      1.50217042      1.70645138
+H      3.56855684      2.02733382      0.28614611
+H      3.54429205     -1.82518098      0.11298979 
+
+13
+-1271.8191326363317 9.730394 11.32609 -10.5632 -8.6585 -10.965 0.6536 -0.3706 -0.09 10.60146 0.50256 5.4340956038 12.0818529658 0.196185073
+C      1.02634746     -0.09291205      0.20381509
+C      2.48288094      0.16826092     -0.10788145
+C      3.18375824      1.24684071      0.74200878
+S      4.31515454     -0.06265788      1.30338250
+O      4.12735584     -0.44706434      2.69780258
+O      5.65070229      0.03863062      0.72572032
+O      3.32199055     -0.98454489      0.31026454
+H      0.67523216     -0.98068898     -0.33812066
+H      0.41478861      0.76530450     -0.11009746
+H      0.88186420     -0.25982754      1.27989951
+H      2.65156914      0.32396491     -1.18355103
+H      2.59665852      1.64817429      1.57505483
+H      3.71498750      2.03178973      0.19523245 
+
+13
+-1354.6476006636638 12.684891 12.91117 -7.8869 -5.9946 -7.917 0.929 -0.5034 0.176 7.52769 0.57868 3.9284592142 10.8406043226 0.178594139
+C      0.85005709      0.14716799     -0.01317090
+C      2.33573433     -0.00443657      0.02473746
+N      3.19993145      0.96814005     -0.04790181
+C      4.49946332      0.51334093     -0.02924651
+C      4.66585497     -0.84948516      0.06813699
+N      5.83984698     -1.59529416      0.21530473
+S      3.08937773     -1.61296522      0.15578632
+H      0.61535705      1.21849850     -0.01293562
+H      0.36758302     -0.31954086      0.85795306
+H      0.41775371     -0.30488844     -0.91873978
+H      5.32028897      1.22816616     -0.08985685
+H      6.67334104     -1.03800013      0.03240073
+H      5.86327034     -2.44949310     -0.34068784 
+
+12
+-1284.007586704355 11.728262 12.16958 -8.3483 -6.4096 -8.38 0.9643 -0.5677 -0.034 7.99291 0.75424 4.1197944094 11.7922836628 0.295994391
+C      0.88836999      0.10224423     -0.00433509
+C      2.37742258     -0.01760799     -0.00571694
+N      3.21310689      0.98413046     -0.00867838
+C      4.52613531      0.56643493     -0.01064293
+C      4.71035558     -0.79320512     -0.00915265
+O      5.84652476     -1.54578300     -0.01002579
+S      3.16509810     -1.61287916     -0.00499844
+H      0.63268702      1.16864032      0.00514535
+H      0.44087241     -0.37467790      0.88002029
+H      0.44088439     -0.35840717     -0.89739726
+H      5.32945579      1.30345836     -0.01301218
+H      6.61214717     -0.94246794     -0.01199598 
+
+13
+-1360.9195907783326 12.584271 12.99128 -7.7173 -5.8784 -8.029 0.9208 -0.5982 0.088 7.40977 0.60722 3.9613031056 11.7082087562 0.248144715
+C      0.93797794      0.10735907      0.00806054
+C      2.42922146     -0.00700866     -0.00831119
+N      3.24602374      1.01802169     -0.06634502
+C      4.56529209      0.61803015     -0.07076384
+N      5.53900465      1.61103377     -0.20104815
+C      4.77281720     -0.74446494     -0.01010271
+S      3.24218081     -1.56101642      0.04908674
+H      0.66948885      1.16998180      0.02929732
+H      0.50334415     -0.38527637      0.88933015
+H      0.48965343     -0.34914162     -0.88636398
+H      6.43530038      1.38160706      0.22027170
+H      5.19649736      2.51938498      0.10651333
+H      5.70554795     -1.29926052     -0.01098489 
+
+12
+-1290.341855329308 11.679268 12.20646 -8.3218 -6.4111 -8.49 0.7479 -0.7907 -0.115 7.92272 0.77452 4.165619635 11.6448767074 0.461989167
+C      0.92046366      0.08067955     -0.00594883
+C      2.41290061     -0.00607995     -0.00109647
+N      3.21260641      1.03249613      0.00556041
+C      4.52443492      0.64501155      0.00814485
+O      5.44250505      1.65605925      0.01518439
+C      4.76701041     -0.71003281      0.00344027
+S      3.25001403     -1.55437888     -0.00468953
+H      0.63353144      1.13846823      0.00247381
+H      0.48506194     -0.41036561      0.87603472
+H      0.49199942     -0.39403473     -0.90024436
+H      6.33324219      1.26391237      0.01654987
+H      5.71138992     -1.24541509      0.00442088 
+
+14
+-1327.3997979371575 10.768176 11.84665 -9.8101 -7.9003 -10.123 0.8061 -0.2091 -0.151 9.77089 0.666 4.975620173 10.9103464476 0.081872428
+C      0.91745744      0.10081885      0.00547513
+C      2.41899356      0.00932769     -0.00393742
+N      3.15804570      0.94466739      0.85555416
+C      4.27734077      0.09534638      1.26751789
+S      3.24930963     -1.44198959      0.91230124
+O      2.45043169     -1.80020589      2.10252552
+O      3.88695650     -2.48080322      0.08798275
+H      0.48287427     -0.65676829     -0.65928033
+H      0.59628051      1.08944218     -0.35333714
+H      0.52270125     -0.06083742      1.01862798
+H      2.85203715     -0.00867751     -1.01637843
+H      2.58125710      1.15188269      1.67710788
+H      5.11282567      0.11488151      0.55486313
+H      4.61329876      0.22183523      2.30191763 
+
+14
+-1479.8975960919718 12.786912 13.41465 -8.5978 -6.677 -8.227 0.7341 -0.7914 -0.022 7.69156 0.74074 4.0098808204 10.4723783012 0.43682648
+C      0.83305295     -0.03289911     -0.00634012
+C      2.32979071     -0.03339777     -0.00261453
+C      3.19858745      1.04154247     -0.00668286
+C      2.79483503      2.49003005     -0.01517482
+N      4.54324986      0.72060560     -0.00276776
+C      4.72005827     -0.57369685      0.00390452
+S      3.25115573     -1.51526471      0.00653285
+H      0.45832421      0.99866856      0.00138701
+H      0.41968555     -0.54486590      0.87543483
+H      0.42430034     -0.52965149     -0.89904627
+H      3.69744898      3.11170189     -0.00609400
+H      2.18892995      2.75167565      0.86491443
+H      2.21038828      2.74707808     -0.91106845
+H      5.69177268     -1.06448646      0.00832516 
+
+13
+-1353.6130377456307 12.538876 12.73094 -7.8796 -5.9932 -7.855 0.9198 -0.5578 0.009 7.41633 0.72242 3.7458402348 10.706997009 0.434007141
+C      0.98733234     -0.03093874     -0.05763176
+C      2.48463059      0.05295238     -0.03006682
+C      3.20845713      1.22343983      0.11883128
+N      2.73022749      2.51654894      0.35678891
+S      4.92187942      0.86783987      0.13181386
+C      4.52432517     -0.83043816     -0.09030445
+N      3.24867664     -1.09050919     -0.14420375
+H      0.53815361      0.79701306     -0.62935345
+H      0.55225510     -0.01181706      0.95519459
+H      0.68466928     -0.97187233     -0.53335271
+H      3.23199600      3.24996833     -0.14229945
+H      1.72943099      2.59578940      0.18137431
+H      5.31922624     -1.56724633     -0.18517055 
+
+12
+-1282.7514403532869 11.703937 12.11005 -8.2538 -6.3763 -8.285 0.6608 -0.7399 -0.19 7.8178 0.87312 3.9173500686 10.2905652308 0.513479543
+C      0.97179602     -0.03816723     -0.00631543
+C      2.46616240      0.05483739     -0.00314626
+C      3.18930530      1.22835766     -0.00369057
+O      2.64530279      2.48199004     -0.00727122
+S      4.91104787      0.90167538      0.00045343
+C      4.51827348     -0.81467425      0.00273494
+N      3.24479426     -1.08472231      0.00036019
+H      0.51695232      0.95939945      0.00319657
+H      0.61709239     -0.59358230      0.87422231
+H      0.61870954     -0.57526442     -0.89893138
+H      3.34891967      3.15246516     -0.00594463
+H      5.31957395     -1.55072456      0.00590206 
+
+13
+-1400.0631730446464 12.177839 12.86751 -7.9631 -6.0652 -8.235 0.6988 -0.207 0.621 7.70861 0.05902 3.7358965576 10.8166130316 0.451818285
+C      0.92244571     -0.03568578     -0.00292220
+C      2.40892031      0.04815792     -0.00352578
+C      3.26723455      1.13916517     -0.00256456
+Cl      2.75929198      2.80552303      0.00089360
+C      4.61501130      0.68570309     -0.00488695
+C      4.55927597     -0.69481827     -0.00723810
+N      3.23042438     -1.06424107     -0.00644263
+H      0.50353594      0.97785377      0.00967829
+H      0.53841258     -0.56768950      0.88186089
+H      0.53614909     -0.54631933     -0.89931062
+H      5.50716484      1.30222039     -0.00469362
+H      5.35060488     -1.43616262     -0.00913454
+H      2.89363848     -2.02042679     -0.00754375 
+
+12
+-1268.3754214955745 11.270437 11.99621 -8.7386 -6.8718 -9.313 0.6883 -0.2196 0.016 8.57898 0.58539 4.2261372016 11.0770084288 0.412932931
+C      0.91618352     -0.03837965     -0.00292776
+C      2.40197703      0.05743664     -0.00354660
+C      3.26056847      1.15324070     -0.00220948
+Cl      2.78386999      2.82245470      0.00169715
+C      4.57508796      0.63760413     -0.00456093
+N      4.56097614     -0.70018505     -0.00707382
+N      3.24307973     -1.01922359     -0.00653567
+H      0.48711952      0.97070880      0.00989210
+H      0.54239625     -0.57571662      0.88140471
+H      0.54015234     -0.55380656     -0.89934078
+H      5.51429699      1.18211019     -0.00432066
+H      2.97895205     -1.99940370     -0.00802826 
+
+13
+-1344.2658462321858 12.17757 12.88875 -9.4278 -7.5241 -9.159 0.5991 -0.982 -0.026 8.77654 0.75427 4.4193197882 11.264934009 0.335030773
+C      0.93791335      0.22727555      0.00963441
+C      2.40149383     -0.08222216     -0.00154804
+N      3.34264045      0.82956549     -0.01000700
+N      4.60488534      0.31515509     -0.01722349
+C      4.64069057     -0.99476960     -0.01515135
+C      5.90377381     -1.79639425     -0.02366424
+S      3.04004118     -1.71890937     -0.00290018
+H      0.33103159     -0.68489950     -0.00402168
+H      0.67577910      0.83641376     -0.86611333
+H      0.68156534      0.80503390      0.90823463
+H      5.70021347     -2.87290462     -0.00830669
+H      6.51625937     -1.54257712      0.85222477
+H      6.49163260     -1.56375716     -0.92212781 
+
+13
+-1336.9869397103137 12.185727 12.59227 -9.0976 -7.3072 -8.964 0.1839 -1.48 -1.041 8.31934 1.7697 3.4401403532 10.6482400436 0.403891349
+C      1.07609177      0.20199619      0.00662105
+C      2.57176361      0.09935222      0.00005141
+C      3.49693125      1.13443643     -0.00099384
+C      3.20391664      2.60334005      0.00478730
+N      4.80226207      0.70646243     -0.00725693
+N      4.98753037     -0.56027478     -0.01141382
+S      3.43064574     -1.38633600     -0.00695362
+H      0.59794652     -0.78406904     -0.00237971
+H      0.71894498      0.75598437     -0.87386315
+H      0.72517554      0.73675902      0.90141095
+H      2.12476404      2.79719492     -0.00367010
+H      3.64966919      3.09048975     -0.87403344
+H      3.63334828      3.08086444      0.89709390 
+
+11
+-1177.6469604668885 10.461737 11.29559 -9.3816 -7.5429 -10.052 0.7703 -0.9106 -0.644 9.41842 1.21356 4.4344460802 10.1300529552 0.270052187
+C      0.95034388      0.04488909     -0.00491784
+C      2.43914248     -0.01986350     -0.00147120
+N      3.17167270      1.08031667      0.00042044
+O      4.52171044      0.65354160      0.00302578
+C      4.55288285     -0.69517628      0.00297422
+C      3.27682423     -1.17841490      0.00012532
+Cl      2.76519860     -2.83021217     -0.00103070
+H      0.62217596      1.09021280      0.00001323
+H      0.53886200     -0.46505311      0.87734547
+H      0.54341507     -0.45494740     -0.89509651
+H      5.52919179     -1.16834281      0.00508180 
+
+11
+-1171.013211759733 12.990365 13.59861 -9.0128 -7.2628 -9.979 0.2388 -1.2886 -0.778 9.25704 1.37039 4.594859167 11.068912143 0.333764765
+C      0.93395611      0.00605993     -0.00519454
+C      2.42929029      0.04735457     -0.00119262
+N      3.07048136      1.21198981      0.00149639
+S      4.73168672      0.94283158      0.00540315
+C      4.61675123     -0.77123541      0.00323330
+C      3.28289919     -1.10387170     -0.00028944
+Cl      2.68088292     -2.74051201     -0.00334858
+H      0.53497132      1.02600234      0.00068254
+H      0.55694489     -0.53460462      0.87493850
+H      0.56143908     -0.52221724     -0.89478885
+H      5.47836688     -1.43178724      0.00474016 
+
+13
+-1354.4940173134435 12.497837 12.74315 -7.9977 -6.1766 -8.763 0.8126 -0.7185 -0.215 8.22405 0.78373 4.3997300002 11.4174739848 0.398589024
+C      0.94813267     -0.00635594     -0.02974268
+C      2.44619847      0.03927724     -0.00224247
+N      3.07465382      1.20879202      0.06908043
+S      4.73092088      0.94811332      0.06760165
+C      4.61593335     -0.77160232     -0.01752642
+C      3.28250347     -1.13169355     -0.05166647
+N      2.76238031     -2.42609840     -0.20596203
+H      0.54498001      1.01223678     -0.00637903
+H      0.54451258     -0.55419713      0.83776523
+H      0.58534025     -0.51053860     -0.93892484
+H      5.49372428     -1.41204450     -0.04389670
+H      3.40466424     -3.16542274      0.06965256
+H      1.85912568     -2.55740618      0.24639076 
+
+12
+-1284.7760831945716 11.663291 12.10191 -8.4828 -6.6649 -9.34 0.7096 -0.8765 -0.4 8.73048 0.92054 4.6861996532 11.1197712002 0.38523897
+C      0.94571484     -0.00345266     -0.00524807
+C      2.44147089      0.05475046     -0.00130326
+N      3.07814077      1.22080960      0.00076537
+S      4.73791943      0.95492418      0.00430311
+C      4.61978760     -0.76755637      0.00367520
+C      3.28466836     -1.10637344      0.00035799
+O      2.71725032     -2.35594150     -0.00130325
+H      0.53348665      1.01151172      0.00247745
+H      0.57426551     -0.55121294      0.87335565
+H      0.57829604     -0.53548737     -0.89523505
+H      5.49252061     -1.41544247      0.00558878
+H      3.42140900     -3.02676921      0.00094608 
+
+13
+-1362.0508675090562 12.099862 13.02432 -9.263 -7.4788 -9.591 0.4722 -1.136 -0.303 8.8985 0.95724 4.2238434606 9.3476517008 0.281297588
+C      1.23534380      0.20316630      0.00465550
+C      2.70397901     -0.06492085     -0.00042669
+N      3.63875018      0.86031735     -0.00689731
+C      4.88200451      0.26926746     -0.00844229
+C      6.11413177      1.11803400     -0.01613275
+N      4.97418965     -1.05632814     -0.00361829
+S      3.40839220     -1.66307041      0.00331840
+H      0.65117928     -0.72462890     -0.00607143
+H      0.96096166      0.80365708     -0.87378909
+H      0.96259572      0.78108480      0.89878136
+H      7.00957584      0.48818596     -0.01048537
+H      6.12533226      1.77777002      0.86276202
+H      6.12557413      1.76130534     -0.90723405 
+
+13
+-1355.3710337748523 12.032046 12.67256 -9.1072 -7.2982 -9.901 0.0541 -1.5841 -0.909 9.50907 1.28742 4.3348481264 9.2492192154 0.219380098
+C      1.08059331      0.12076121      0.00112607
+C      2.57989150      0.04852175     -0.00218900
+N      3.28888960      1.17988148     -0.00999607
+S      4.88983263      0.74612807     -0.00916467
+N      4.70336976     -0.90210410      0.00184619
+C      3.39033492     -1.14442538      0.00475062
+C      2.90476276     -2.56480503      0.01213794
+H      0.62334643     -0.87451743     -0.02685974
+H      0.72305354      0.68975540     -0.86791564
+H      0.72348077      0.63888825      0.90206484
+H      1.81122298     -2.62267226      0.04782844
+H      3.30763889     -3.10255861      0.88124346
+H      3.24852292     -3.09252334     -0.88843244 
+
+12
+-1322.5051434232287 11.361625 12.24264 -8.4959 -6.5127 -8.583 1.3753 -0.1503 0.099 8.09896 0.5375 3.6910384228 10.5759066112 0.380593613
+C      0.95093243     -0.05642355     -0.00384526
+C      2.42425767      0.09501193     -0.00481480
+C      3.26902940      1.17549400     -0.00200627
+Cl      2.78497122      2.84321437      0.00409081
+C      4.61695783      0.69305029     -0.00502513
+C      4.50990117     -0.66577268     -0.00946681
+O      3.19129423     -1.04960006     -0.00952046
+H      0.48491391      0.93586510      0.00907179
+H      0.60574327     -0.61442700      0.87937722
+H      0.60163231     -0.59290556     -0.89880031
+H      5.52518210      1.28563783     -0.00386578
+H      5.23471447     -1.47176466     -0.01276500 
+
+13
+-1254.5545501181407 10.05689 11.27852 -10.4596 -8.5192 -10.321 0.9078 -0.1974 -0.322 9.77895 0.78868 4.945615561 11.8738540522 0.111690455
+C      0.94138632      0.10516935      0.05427108
+C      2.42835018     -0.05674684     -0.04963341
+O      3.16603501      0.88686862      0.75580958
+C      4.22510954      0.07665166      1.27283198
+S      3.25713931     -1.46665617      0.88416770
+O      2.44711824     -1.90329105      2.03086029
+O      3.97046877     -2.42941467      0.03493740
+H      0.43754505     -0.64114436     -0.57440170
+H      0.65319490      1.10317820     -0.30529781
+H      0.61020848     -0.01324542      1.09361534
+H      2.80827558     -0.09569516     -1.08556869
+H      5.14244024      0.09748860      0.66376819
+H      4.40896837      0.27156725      2.33613006 
+
+11
+-1178.670041141427 10.576699 11.36598 -9.2682 -7.3432 -9.708 0.7236 -0.9199 -0.634 9.04404 1.24424 4.2066218052 10.0877861278 0.424464827
+C      0.94146389     -0.05147204     -0.00368992
+C      2.41565291      0.09842728     -0.00632989
+C      3.25566906      1.18356265     -0.00447023
+Cl      2.81054070      2.85545502     -0.00178356
+C      4.56706376      0.63946497     -0.00485241
+N      4.54735049     -0.67726548     -0.00705952
+O      3.17513729     -1.02639117     -0.00796961
+H      0.47168837      0.93841499      0.02020309
+H      0.60794594     -0.62298080      0.87402126
+H      0.59890034     -0.58364810     -0.90256217
+H      5.51855725      1.16511266     -0.00337704 
+
+12
+-1295.6530424511566 13.745544 14.31833 -8.5554 -6.72 -8.634 0.6681 -0.7635 -0.187 8.08604 0.84738 3.8440495454 9.2235541134 0.349521812
+C      0.84130431      0.04737071     -0.00332306
+C      2.33469718      0.00917158     -0.00435643
+C      3.23943080      1.04865510     -0.00327694
+Cl      2.75871472      2.73199073      0.00071420
+C      4.61184577      0.66164106     -0.00569480
+C      4.75217397     -0.70088787     -0.00860227
+S      3.21364141     -1.50035867     -0.00852879
+H      0.50364121      1.09107181      0.01051362
+H      0.42201969     -0.45820148      0.87879827
+H      0.42140931     -0.43451854     -0.89843529
+H      5.43720031      1.37005231     -0.00504736
+H      5.66540133     -1.28811675     -0.01069117 
+
+14
+-1477.789167202096 13.255737 13.46287 -7.4584 -5.7033 -7.79 0.8517 -0.2149 0.34 7.20825 0.23773 4.0563755704 5.908614823 0.346659101
+C      0.84750911      0.05163479      0.04751018
+C      2.34374450      0.00608208      0.05227437
+C      3.22172369      1.06405520     -0.11801252
+N      2.81971486      2.38629912     -0.39324213
+C      4.59440106      0.66121104     -0.07214000
+C      4.74934715     -0.68734713      0.13402195
+S      3.22295534     -1.48654205      0.26539033
+H      0.46035946      0.76060419      0.79995035
+H      0.41385389     -0.92943754      0.28144415
+H      0.45154450      0.36030951     -0.93441865
+H      3.47041199      3.08342341     -0.03493153
+H      1.87642466      2.59814631     -0.07139165
+H      5.43025728      1.35024080     -0.19575024
+H      5.66965251     -1.25808973      0.21158540 
+
+13
+-1408.5782465847274 12.385012 12.79734 -7.8841 -6.1072 -8.111 1.1206 -0.4194 0.167 7.57157 0.41835 4.175290543 10.8186588006 0.378855711
+C      0.84407745      0.05146673     -0.00333215
+C      2.33861761      0.00056093     -0.00438904
+C      3.22411748      1.05957824     -0.00229324
+O      2.77053837      2.36182326      0.00160567
+C      4.59960548      0.67315423     -0.00454712
+C      4.75563171     -0.69052067     -0.00856284
+S      3.22796146     -1.50241609     -0.00946615
+H      0.51966757      1.09984876      0.00899632
+H      0.41411861     -0.44502167      0.87977334
+H      0.41344417     -0.42412180     -0.89763665
+H      3.54066438      2.95429189      0.00379554
+H      5.43221620      1.37739697     -0.00323604
+H      5.67557954     -1.26669079     -0.01086764 
+
+13
+-1358.311424753114 12.485252 12.70939 -7.7128 -5.9257 -7.879 0.9386 -0.6578 -0.061 7.34861 0.75698 3.7111985464 10.7981019218 0.274326019
+C      0.82468818     -0.00745713      0.06413909
+C      2.32057561     -0.02529391      0.04805616
+C      3.18634505      1.05580270      0.01434372
+N      2.79922250      2.40128206      0.03928522
+N      4.53113743      0.76482859      0.03009249
+C      4.72082727     -0.53138271      0.07082505
+S      3.27012050     -1.48690339      0.08622432
+H      0.46178272      0.80019629      0.71847839
+H      0.40960703     -0.94912826      0.44673627
+H      0.39553078      0.15394552     -0.93916706
+H      3.57174356      3.01313913     -0.21763366
+H      1.96606796      2.60929059     -0.50645328
+H      5.69976141     -1.00635948      0.08763329 
+
+12
+-1291.4007375816166 11.625746 12.03306 -8.2743 -6.3749 -8.29 0.67 -0.9178 -0.253 7.80483 0.9512 3.8799186952 10.8783952554 0.260143737
+C      0.83231638      0.01706474     -0.00614633
+C      2.32622635     -0.01221587     -0.00290715
+C      3.20895355      1.04824358     -0.00361609
+O      2.80715088      2.35222152     -0.00711734
+N      4.54775409      0.76171222     -0.00048869
+C      4.73050482     -0.53737350      0.00237889
+S      3.27162928     -1.48035429      0.00171522
+H      0.49514411      1.06132806      0.00225026
+H      0.40669491     -0.48208703      0.87721374
+H      0.41078360     -0.46628115     -0.90030396
+H      3.62543781      2.88391088     -0.00585065
+H      5.70607422     -1.01874916      0.00529210 
+
+11
+-1169.4471927423233 12.92505 13.47261 -9.0345 -7.3083 -9.637 0.1817 -1.3564 -0.78 8.9129 1.42325 4.3623358226 10.1449188766 0.373211525
+C      0.87167887      0.01920849     -0.00344987
+C      2.36447344      0.01534254     -0.00463238
+C      3.24576937      1.08009598     -0.00291934
+Cl      2.76146189      2.75628356      0.00206914
+C      4.60768884      0.66890646     -0.00547006
+N      4.82602926     -0.63658691     -0.00911592
+S      3.33619640     -1.42161387     -0.00939617
+H      0.50383950      1.05274974      0.01019482
+H      0.46989915     -0.50045374      0.87790894
+H      0.46883255     -0.47697897     -0.89785895
+H      5.45658073      1.35407673     -0.00459020 
+
+13
+-1352.3588368095186 12.401298 12.61793 -7.9858 -6.1562 -8.467 0.7692 -0.7614 -0.261 7.9124 0.8788 4.1074825996 10.2991946564 0.381556027
+C      0.87562233      0.01034355      0.04329378
+C      2.37036310      0.01262407      0.07925922
+C      3.22585180      1.09219041     -0.09707866
+N      2.82264358      2.40070421     -0.41445112
+C      4.58677351      0.67281073     -0.00236928
+N      4.81941813     -0.61389636      0.23204522
+S      3.34405818     -1.39776314      0.34421990
+H      0.45445564      0.70325462      0.79121030
+H      0.46478293     -0.98488022      0.25721169
+H      0.50050102      0.32031348     -0.94527930
+H      3.49005232      3.11120134     -0.11965431
+H      1.89184085      2.63706538     -0.07502975
+H      5.44471661      1.34160191     -0.11220770 
+
+12
+-1282.4709408110614 11.560925 11.96465 -8.5171 -6.6788 -8.951 0.5438 -1.0262 -0.44 8.32955 1.05487 4.3247060716 10.3191440038 0.359859031
+C      0.87585295      0.02056844     -0.00345472
+C      2.37032193      0.00787105     -0.00467357
+C      3.23236208      1.09071730     -0.00207361
+O      2.77205146      2.38632175      0.00246404
+C      4.59655182      0.68093501     -0.00460071
+N      4.83177524     -0.62551660     -0.00920393
+S      3.35307230     -1.42126408     -0.01012964
+H      0.51796953      1.05792319      0.00902661
+H      0.46536621     -0.49183894      0.87882721
+H      0.46418409     -0.47059438     -0.89727640
+H      3.53536843      2.98859244      0.00490898
+H      5.45054396      1.36424483     -0.00319425 
+
+13
+-1458.2212847044925 14.329546 13.71429 -8.1171 -6.2876 -7.855 0.0538 -1.3803 -0.346 7.27852 0.96402 3.8196862964 3.8196862964 0.40819783
+C      2.70815583     -1.26949937      0.41132359
+C      2.25859193     -0.02289160      0.17431909
+C      3.03611062      1.19938031      0.11764829
+C      2.55833599      2.47982670     -0.11451474
+C      3.56799101      3.47827669     -0.10885399
+C      4.82011449      2.96056816      0.12711291
+S      4.77466547      1.24325199      0.34513892
+H      2.02339139     -2.11616630      0.42918995
+H      3.76366079     -1.48168612      0.59372674
+H      1.18768152      0.12594772     -0.00010067
+H      1.50072348      2.68285782     -0.28324520
+H      3.38018068      4.53845494     -0.27264528
+H      5.77126679      3.48219905      0.18641039 
+
+11
+-1300.353896463529 13.911741 13.6006 -8.3587 -6.5759 -8. 0.1425 -1.3638 -0.311 7.48985 0.89183 3.775869644 6.0996524518 0.358963715
+C      0.83238091      0.12564173     -0.00453314
+C      2.05026386      0.10202852     -0.00090193
+C      3.45593781      0.06842300      0.00351194
+C      4.35453389      1.12614160      0.00514132
+C      5.70911662      0.70907349      0.00964905
+C      5.84724695     -0.66132598      0.01133938
+S      4.31781399     -1.46323154      0.00717741
+H     -0.23782972      0.14916765     -0.00775106
+H      4.02769549      2.16440230      0.00325919
+H      6.55522690      1.39461486      0.01156354
+H      6.76098330     -1.24908563      0.01455431 
+
+15
+-1599.750633867644 13.516633 14.08106 -8.4089 -6.527 -8.119 0.9556 -0.4626 0.32 7.58105 0.28332 4.2978135082 6.3333164674 0.386556503
+C      2.43213696     -0.66307194     -1.43699626
+C      2.44967517     -0.04095150     -0.03090238
+C      2.99427591      1.35802094      0.00565217
+C      2.30875864      2.54891440      0.10876655
+C      3.14726281      3.70106737      0.06606524
+C      4.47681744      3.38419385     -0.07039587
+S      4.70870975      1.66823122     -0.14591462
+H      2.01229796     -1.67888778     -1.40853218
+H      3.44749766     -0.72484979     -1.85387134
+H      1.82532492     -0.05681996     -2.12445326
+H      3.02781187     -0.68785140      0.64920675
+H      1.42556394     -0.01040630      0.37325004
+H      1.22447675      2.59097613      0.21668009
+H      2.78242804      4.72504088      0.13742981
+H      5.33451218      4.04826389     -0.12500474 
+
+12
+-1331.7856481907959 13.295895 12.85338 -8.882 -7.0524 -8.691 -0.4051 -1.915 -0.864 8.00435 1.41491 4.103006705 10.100643476 0.671637758
+C      2.79404713     -1.22667151      0.40636922
+C      2.29415103     -0.00281488      0.15921101
+C      3.03861100      1.24366786      0.12955941
+C      2.53983611      2.51610008     -0.11417519
+C      3.56381830      3.49333064     -0.06168452
+N      4.79731631      3.07194308      0.20017254
+S      4.75434889      1.40397151      0.40067097
+H      2.14993186     -2.10499023      0.40619885
+H      3.85321678     -1.38987355      0.61557635
+H      1.22365919      0.10192867     -0.04347770
+H      1.49092321      2.72672898     -0.31859488
+H      3.41256021      4.56296935     -0.22067607 
+
+10
+-1173.8464812367308 12.975749 12.73474 -9.2013 -7.3672 -8.873 -0.3857 -1.9465 -0.861 8.23003 1.37636 3.8620771098 10.2070358626 0.460391543
+C      0.85227383      0.07199783     -0.00364130
+C      2.06948515      0.09076791     -0.00078892
+C      3.47477462      0.08442075      0.00296396
+C      4.36717607      1.14950925      0.00438048
+C      5.70487962      0.68826644      0.00831801
+N      5.89955484     -0.62857882      0.00975830
+S      4.41298514     -1.39135572      0.00604606
+H     -0.21847838      0.06118234     -0.00621251
+H      4.06243224      2.19379263      0.00292550
+H      6.58321687      1.33674739      0.01015043 
+
+14
+-1474.5345549456156 12.652627 13.24281 -9.1688 -7.4102 -9.126 0.5157 -1.0107 -0.258 8.39276 0.86999 4.6088819836 9.9944990614 0.391226762
+C      0.85899012     -0.20264404      0.02932697
+C      2.38653133     -0.02592083     -0.00713286
+C      2.81103358      1.41433206     -0.03774556
+C      3.02391342      2.28756777      1.01261450
+C      3.36683334      3.58363576      0.54695179
+N      3.43230550      3.76539272     -0.76879474
+S      3.06206626      2.30266212     -1.50686548
+H      0.59517974     -1.26925919      0.05296076
+H      0.38998404      0.24816729     -0.85616307
+H      0.42877460      0.27806843      0.91870327
+H      2.79755703     -0.55379831     -0.88144681
+H      2.83582690     -0.50087375      0.87903652
+H      2.94351393      2.01019078      2.06318622
+H      3.58497021      4.43797920      1.19136849 
+
+13
+-1457.7369315314688 14.232625 13.87371 -8.2185 -6.4442 -8.156 0.544 -0.9364 -0.117 7.53295 0.76012 4.2473140104 5.3370641602 0.670695041
+C      2.66783961     -1.16503245      0.38131900
+C      2.19663857      0.07605909      0.16544490
+C      2.98569215      1.30083143      0.06348085
+C      2.41039848      2.54162803     -0.15928093
+S      3.58058705      3.80887212     -0.23411594
+C      4.87677281      2.68602454      0.03489793
+C      4.41461785      1.40445879      0.17314927
+H      1.99019781     -2.01630100      0.44064698
+H      3.73190543     -1.37378604      0.50501169
+H      1.11612352      0.20948905      0.05102573
+H      1.35549883      2.77193481     -0.28287667
+H      5.90101237      3.04545568      0.07374269
+H      5.07414552      0.55590597      0.34841449 
+
+11
+-1300.3727610391516 13.6803 13.70559 -8.5519 -6.7264 -8.3 0.4227 -1.073 -0.116 7.72699 0.75778 4.0856238678 6.0753635944 0.550911216
+C      0.90339185      0.00679494     -0.00500668
+C      2.11976658      0.03708545     -0.00175671
+C      3.53848674      0.05763343      0.00183100
+C      4.29858971      1.21863708      0.00291232
+S      5.98746363      0.87826178      0.00740462
+C      5.70183506     -0.83179295      0.00803757
+C      4.36272675     -1.12011701      0.00480544
+H     -0.16682931     -0.01916752     -0.00752774
+H      3.94312189      2.24433020      0.00123792
+H      6.54316613     -1.51841370      0.01068458
+H      3.95609097     -2.12963169      0.00452768 
+
+15
+-1599.682796637717 13.51643 14.18332 -8.4918 -6.673 -8.323 1.1148 -0.3961 0.269 7.71256 0.29112 4.4269325286 6.2776467534 0.385224668
+C      2.42293233     -0.62935927     -1.40159879
+C      2.35895665      0.01518267     -0.00808161
+C      2.90668409      1.42000963      0.02569778
+C      2.13648845      2.55495914      0.16044162
+S      3.08675687      4.00326375      0.13331147
+C      4.54785626      3.09454569     -0.06117314
+C      4.29617451      1.74510987     -0.10181664
+H      2.02839881     -1.65547344     -1.37777436
+H      3.45644390     -0.67326010     -1.77407087
+H      1.83323169     -0.05128880     -2.12721659
+H      2.92085892     -0.60754480      0.70783149
+H      1.31658136      0.02506014      0.34553604
+H      1.05799802      2.62254130      0.27783959
+H      5.50074566      3.61186262     -0.12664117
+H      5.08250247      0.99810158     -0.21328482 
+
+12
+-1333.0006002705904 13.378035 13.06454 -8.7033 -6.9133 -9.179 0.0959 -1.4418 -0.659 8.51254 1.33034 4.6532193772 5.8405713062 0.424333075
+C      2.79535256     -1.18654445      0.37088653
+C      2.27764405      0.02783093      0.12244504
+C      3.03047186      1.27775856      0.02135155
+N      2.34210825      2.39970167     -0.23354066
+S      3.40085726      3.69091981     -0.30471786
+C      4.81294143      2.75217256      0.00898585
+C      4.44719833      1.43937893      0.16661252
+H      2.15302014     -2.06490806      0.42804529
+H      3.86372065     -1.34860023      0.52424778
+H      1.20085040      0.14265458     -0.02486621
+H      5.80507150      3.19358658      0.06043011
+H      5.14728359      0.63272912      0.37447006 
+
+10
+-1172.8579264387358 12.898285 12.89638 -9.012 -7.2278 -9.378 -0.0531 -1.6431 -0.69 8.7158 1.324 3.9598524694 6.4943618828 0.446953234
+C      0.92608675     -0.01466974     -0.00029345
+C      2.13959947      0.04843429      0.00003939
+C      3.56232212      0.07262890      0.00083298
+N      4.21158025      1.24819027      0.00193845
+S      5.85246803      0.94587316      0.00282770
+C      5.71019069     -0.77062515      0.00143171
+C      4.37854745     -1.10478185      0.00050382
+H     -0.14382587     -0.05884411     -0.00058401
+H      6.57721890     -1.42631433      0.00149822
+H      3.98471221     -2.11872144     -0.00042480 
+
+14
+-1475.9731966477054 12.750232 13.40833 -9.0142 -7.2469 -9.501 0.6069 -0.97 -0.258 8.77868 0.81532 4.8520805226 11.1908647726 0.304034043
+C      0.93002260     -0.15218295     -0.05425927
+C      2.45631290     -0.00736049      0.05036251
+C      2.90549895      1.43020190      0.03694131
+N      3.19856153      2.03075244      1.19012991
+S      3.62518568      3.62662786      0.88587757
+C      3.41728761      3.51785880     -0.81954273
+C      3.01673329      2.24084517     -1.13554774
+H      0.64011258     -1.21245501     -0.04667232
+H      0.54623997      0.29762064     -0.98144657
+H      0.43505062      0.34497646      0.79162126
+H      2.93901691     -0.54140639     -0.78368030
+H      2.81325699     -0.46685122      0.98265418
+H      3.59908478      4.36051907     -1.48198732
+H      2.81673559      1.89185373     -2.14774049 
+
+12
+-1334.4391568694539 13.407473 12.85176 -8.5992 -6.7211 -8.088 -0.1918 -1.69 -0.536 7.58883 1.2377 3.7866068316 3.7866068316 0.3901225
+C      2.71250735     -1.27482274      0.44130365
+C      2.27236069     -0.03165714      0.17462760
+C      3.06224917      1.18087046      0.10180530
+C      2.60563146      2.45970480     -0.16953013
+N      3.53668937      3.46454166     -0.18792950
+C      4.72686792      2.98286555      0.06813775
+S      4.79377200      1.25890131      0.35082760
+H      2.02257915     -2.11709327      0.47024110
+H      3.76515050     -1.48807066      0.63731118
+H      1.20485342      0.12232886     -0.01377464
+H      1.55942163      2.69660433     -0.36514167
+H      5.63719733      3.57902684      0.11109175 
+
+10
+-1176.02011845358 13.008031 12.73353 -8.8447 -7.0063 -8.246 -0.1399 -1.7102 -0.557 7.81586 1.22731 3.7479975912 8.3989480246 0.326479519
+C      0.83649383      0.12862175     -0.00345313
+C      2.05281341      0.07631092     -0.00034406
+C      3.45683400      0.02523763      0.00311943
+C      4.36967544      1.06983357      0.00316428
+N      5.69104332      0.72425681      0.00685821
+C      5.82817940     -0.57972222      0.00993007
+S      4.34143419     -1.49055634      0.00808176
+H     -0.23312589      0.17639380     -0.00618421
+H      4.08080452      2.11977463      0.00037779
+H      6.78695777     -1.09611056      0.01315985 
+
+14
+-1476.4846354621102 12.697576 13.23445 -8.893 -7.0002 -8.467 0.6878 -0.8673 -0.045 7.99044 0.74776 4.1778198574 10.3037201454 0.214013783
+C      0.81635490     -0.18322735     -0.10957622
+C      2.32797480     -0.02640707      0.11654232
+C      2.81136338      1.39176753      0.04441464
+C      3.32266433      2.18211968      1.04824235
+N      3.67777350      3.46874739      0.71627904
+C      3.44507104      3.69034998     -0.55061321
+S      2.77263812      2.33352438     -1.42739144
+H      0.51839778     -1.23742746     -0.02104859
+H      0.52596359      0.16808724     -1.11009254
+H      0.24763988      0.40004814      0.62809591
+H      2.87593737     -0.64557207     -0.61262584
+H      2.59773265     -0.41452045      1.11145947
+H      3.46036758      1.84089200      2.07489194
+H      3.63972108      4.63232804     -1.06083786 
+
+11
+-1189.7464389822467 12.71667 12.01498 -9.2242 -7.4583 -8.835 -0.77 -2.4046 -1.449 8.15308 2.2077 3.4328127806 9.928240943 0.544721586
+C      2.80384283     -1.22740122      0.43631845
+C      2.31926177     -0.00210522      0.16927760
+C      3.08151024      1.23295207      0.11676517
+C      2.56457825      2.49413376     -0.15775868
+N      3.47616494      3.50692860     -0.15169486
+N      4.68245959      3.16707058      0.10441254
+S      4.77558404      1.41675361      0.37866077
+H      2.14624523     -2.09574897      0.45223252
+H      3.86154889     -1.39856635      0.64508511
+H      1.25020523      0.11445780     -0.03300912
+H      1.51917899      2.71371533     -0.36867949 
+
+9
+-1031.1041260533677 12.369523 11.88713 -9.5895 -7.7618 -9.024 -0.8444 -2.4946 -1.514 8.38222 2.19981 3.3933480368 8.2747512484 0.40289601
+C      0.86568866      0.08103747     -0.00262111
+C      2.08222929      0.06198423     -0.00051601
+C      3.48645579      0.04147328      0.00190508
+C      4.36472201      1.12145807      0.00170896
+N      5.68072340      0.77704333      0.00447759
+N      5.92926645     -0.48176792      0.00690678
+S      4.43525160     -1.40368009      0.00580470
+H     -0.20520497      0.09860864     -0.00447660
+H      4.07337778      2.16923300     -0.00043940 
+
+13
+-1332.8666611205829 12.131564 12.4117 -9.3326 -7.569 -9.315 0.0013 -1.6838 -1.059 8.6111 1.76117 3.4824071806 9.85812686 0.428938079
+C      0.83180500     -0.20718702     -0.09119439
+C      2.34101714      0.00734561      0.10122998
+C      2.76444767      1.44330516     -0.00760323
+C      3.28382604      2.24510826      0.99261433
+N      3.57218409      3.52691894      0.61741722
+N      3.32616482      3.82013543     -0.60075497
+S      2.66096286      2.39630154     -1.43404990
+H      0.57972226     -1.27008006      0.02463990
+H      0.51005252      0.11257323     -1.09201807
+H      0.25561703      0.36651577      0.64766689
+H      2.89579397     -0.59239857     -0.63763759
+H      2.64716589     -0.36031411      1.09250381
+H      3.47317069      1.93276582      2.01873602 
+
+12
+-1331.2221526414194 13.318673 13.00581 -8.6428 -6.8321 -8.735 0.1945 -1.3382 -0.58 8.20668 1.16875 4.3480774326 10.4053142738 0.474380782
+C      2.68092484     -1.16541082      0.38367407
+C      2.20316281      0.07207511      0.16473908
+C      2.98856911      1.29959812      0.06500321
+C      2.44622047      2.55672862     -0.16192296
+S      3.69574750      3.73125321     -0.21165574
+N      4.94301344      2.63115533      0.05842987
+C      4.41280303      1.42456075      0.17905683
+H      2.00641491     -2.01914102      0.44095381
+H      3.74473256     -1.37114597      0.51206120
+H      1.12290136      0.19936904      0.04591702
+H      1.39925647      2.81852712     -0.29553576
+H      5.09421350      0.59093052      0.35925936 
+
+10
+-1173.968889462179 12.841035 12.8294 -9.0033 -7.1515 -8.919 -0.0226 -1.5782 -0.65 8.43958 1.27277 4.0926786712 6.2085617542 0.397613452
+C      0.91085176     -0.00691043     -0.00394237
+C      2.12588849      0.04892506     -0.00169344
+C      3.54200766      0.08588791      0.00089992
+C      4.32452559      1.23450935      0.00213461
+S      5.97930299      0.79089221      0.00534802
+N      5.69879804     -0.86820120      0.00484984
+C      4.39204541     -1.07120239      0.00264634
+H     -0.15885676     -0.05395700     -0.00592155
+H      3.99143894      2.26874083      0.00140332
+H      4.01946789     -2.09703434      0.00207532 
+
+14
+-1473.8023732938377 12.671327 13.31835 -8.9397 -7.2203 -9.222 0.6055 -1.0269 -0.361 8.54926 0.92749 4.6256200936 10.3128331164 0.465195541
+C      0.93071051     -0.16050780     -0.02215360
+C      2.45563704      0.02944697      0.03333881
+C      2.86873775      1.47916049      0.01755277
+C      3.12376170      2.26838443      1.12308806
+S      3.51135752      3.86628519      0.61674287
+N      3.35466457      3.54665338     -1.02478173
+C      3.01762051      2.26946062     -1.16228599
+H      0.67005370     -1.22820246     -0.04532897
+H      0.50494626      0.31357304     -0.91804872
+H      0.44653605      0.29189170      0.85505155
+H      2.92017695     -0.48311009     -0.82447935
+H      2.85631272     -0.45641797      0.93613553
+H      3.10583761      1.98714219      2.17374107
+H      2.87984711      1.88613032     -2.17692228 
+
+11
+-1207.7436753649793 12.512088 12.23485 -9.0109 -7.1818 -9.427 -0.5357 -2.1515 -1.238 8.84199 1.73545 4.2521246672 5.8191341268 0.494634927
+C      1.08224967     -0.20667755     -0.39237270
+C      2.38977920     -0.01652684     -0.15433328
+C      3.05240484      1.28565133     -0.10278194
+N      2.40060209      2.44258513     -0.29353709
+S      3.51771518      3.65280652     -0.14986520
+N      4.86979132      2.72980889      0.16080642
+C      4.45242594      1.46963707      0.15370856
+H      0.65789844     -1.20986539     -0.41567218
+H      0.41279174      0.63628302     -0.56827373
+H      3.04179663     -0.87699922      0.01924907
+H      5.16769497      0.66622702      0.33615208 
+
+9
+-1047.5469527190123 12.124237 12.0357 -9.4029 -7.5539 -9.676 -0.5884 -2.2417 -1.351 9.19072 1.7782 3.8845309744 9.324677095 0.269561333
+C      0.94931207     -0.02520699      0.00002486
+C      2.16109696      0.06402213     -0.00161068
+C      3.57924802      0.10008087      0.00008725
+N      4.25974778      1.25839393      0.00196061
+S      5.86497564      0.85632377      0.00246288
+N      5.72384083     -0.80580944      0.00056959
+C      4.42478426     -1.06313886     -0.00070695
+H     -0.12010447     -0.08510020     -0.00072050
+H      4.06731891     -2.09279522     -0.00229706 
+
+13
+-1351.1493362228205 11.942895 12.56186 -9.3618 -7.5835 -10.115 0.0197 -1.6867 -1.016 9.67093 1.37515 4.3615671094 9.4352602084 0.273529393
+C      0.93957891     -0.12513819      0.01009421
+C      2.46679044      0.05216477      0.01216116
+C      2.87968618      1.49772955     -0.00614007
+N      3.03987641      2.15230019     -1.15855452
+S      3.44985866      3.71732236     -0.77221757
+N      3.42995222      3.58282372      0.88768063
+C      3.10316018      2.32066402      1.14431311
+H      0.67559447     -1.19170544      0.01826070
+H      0.49851544      0.33179308     -0.88626612
+H      0.48114751      0.34562062      0.89144290
+H      2.90042678     -0.44268944     -0.86831174
+H      2.89818974     -0.43009144      0.90296010
+H      3.03080307      1.98715620      2.18073720 
+
+12
+-1335.5658696478677 13.464517 13.16846 -8.3783 -6.6053 -8.23 0.4194 -1.1402 -0.268 7.65973 1.05686 4.0506722144 10.7720152674 0.45399639
+C      2.67469436     -1.12415115      0.40860795
+C      2.14889329      0.08859876      0.16840617
+C      2.92335861      1.32230363      0.07425826
+C      2.38031853      2.57060813     -0.17299105
+S      3.61388014      3.77741350     -0.21058183
+C      4.79016072      2.51782624      0.11092859
+N      4.30012100      1.31749357      0.23274448
+H      2.04058060     -2.00831104      0.46686605
+H      3.74872153     -1.24931417      0.55025618
+H      1.06982381      0.19741512      0.02844001
+H      1.33828636      2.83282687     -0.33129770
+H      5.84759105      2.76387055      0.19556290 
+
+10
+-1175.172227846885 12.907602 12.95675 -8.8579 -6.966 -8.433 0.1687 -1.3872 -0.356 7.91375 1.09502 4.0621161222 6.2690917194 0.386916727
+C      0.94246374     -0.02008570     -0.00251801
+C      2.15755972      0.00317526     -0.00245911
+C      3.57674348      0.05630658      0.00176730
+C      4.31200724      1.22992972      0.00026464
+S      5.99780996      0.87871818      0.00709257
+C      5.60354412     -0.82854105      0.01132205
+N      4.33075327     -1.10877394      0.00797376
+H     -0.12778586     -0.04898926     -0.00246803
+H      3.94375866      2.25077134     -0.00429270
+H      6.39600567     -1.57493113      0.01645754 
+
+14
+-1478.1253523855755 12.781095 13.48721 -8.8399 -6.9824 -8.574 0.7853 -0.8295 -0.089 7.99288 0.7473 4.2261000058 10.778660917 0.279897038
+C      0.93685073     -0.18948719     -0.14014307
+C      2.42779558      0.03220477      0.15073277
+C      2.82815649      1.47931825      0.07233905
+C      3.27801872      2.25219773      1.11874544
+S      3.61158752      3.86497100      0.58600552
+C      3.11825090      3.38825293     -1.02084377
+N      2.74233005      2.14230090     -1.13792652
+H      0.69132237     -1.26075775     -0.12098346
+H      0.67508562      0.20763714     -1.13026680
+H      0.30977059      0.31938087      0.60614762
+H      3.03001216     -0.53134860     -0.58039453
+H      2.68542610     -0.35964095      1.14594250
+H      3.43127190      1.96683924      2.15533960
+H      3.14044126      4.10595166     -1.83917434 
+
+11
+-1190.5203545457202 12.89218 12.38141 -8.8729 -7.0203 -8.748 -0.2106 -1.8486 -1.213 8.26868 2.11073 3.3667034454 5.0448787526 0.480100497
+C      2.63534951     -1.15615588      0.40149057
+C      2.14300442      0.06775878      0.14779505
+C      2.94047052      1.28684407      0.08529354
+C      2.47057793      2.56692937     -0.17248315
+S      3.74986626      3.68508599     -0.14909132
+N      4.91608905      2.37613937      0.21552056
+N      4.30812076      1.26610323      0.28949345
+H      1.97885237     -2.02492335      0.43303658
+H      3.69955059     -1.31097619      0.58147235
+H      1.07221450      0.19731878     -0.02945274
+H      1.44198409      2.85702581     -0.36679489 
+
+9
+-1030.1055957932977 12.407223 12.14922 -9.2356 -7.4135 -8.982 -0.4614 -2.1239 -1.34 8.54453 2.13786 3.4294031656 6.0850345024 0.369774059
+C      0.94064240     -0.01878637     -0.00232006
+C      2.15502697      0.01901918     -0.00003497
+C      3.56982085      0.07553857      0.00251413
+C      4.34550208      1.22757581      0.00050231
+S      5.99185639      0.82148575      0.00483314
+N      5.59126506     -0.92313517      0.00947203
+N      4.33398938     -1.08350433      0.00748295
+H     -0.12954440     -0.05967074     -0.00430665
+H      3.98186127      2.25048731     -0.00331287 
+
+13
+-1334.0015167957347 12.227827 12.69073 -9.3816 -7.544 -9.304 0.0125 -1.6854 -1.165 8.72778 1.82594 3.3824248702 6.296691003 0.265342592
+C      0.91781070     -0.19515623     -0.08868866
+C      2.42699198      0.01395389      0.10575219
+C      2.82582437      1.46072739      0.05304240
+C      3.24884671      2.26159331      1.09629449
+S      3.55838954      3.83899344      0.53293822
+N      3.10376809      3.37389421     -1.11714836
+N      2.76810174      2.14319977     -1.14238543
+H      0.67175528     -1.26606109     -0.08005675
+H      0.58941647      0.22578918     -1.04868002
+H      0.34439843      0.29517609      0.71097117
+H      2.97768664     -0.52300909     -0.68279502
+H      2.75121045     -0.41162634      1.06674891
+H      3.38225961      1.97351548      2.13513685 
+
+12
+-1335.6798077475526 13.454343 12.92611 -8.4762 -6.6949 -8.329 -0.2204 -1.771 -0.711 7.80366 1.38679 3.8103873464 5.987717891 0.452463171
+C      2.83856464     -1.29065381      0.39390646
+C      2.35869163     -0.05963870      0.14779431
+C      3.12316124      1.17408764      0.08692958
+N      2.57901905      2.34988231     -0.15936391
+C      3.51799596      3.34548884     -0.16038340
+C      4.81196312      2.95534285      0.08636340
+S      4.87650403      1.24633107      0.33650646
+H      2.17507070     -2.15393729      0.41725305
+H      3.89852983     -1.47695360      0.57850602
+H      1.29130024      0.09176587     -0.03276235
+H      3.20875461      4.37262287     -0.35105876
+H      5.71168496      3.56180197      0.13401913 
+
+10
+-1174.901070796098 13.110024 12.81283 -8.8036 -6.9946 -8.47 -0.226 -1.8012 -0.67 7.97928 1.32948 3.7772086928 3.7772086928 0.284097966
+C      0.85197272      0.13839685      0.00214377
+C      2.06815527      0.12605344     -0.00081708
+C      3.47717929      0.06664394     -0.00416011
+N      4.29717428      1.10140622     -0.00966475
+C      5.59964992      0.68911988     -0.01150236
+C      5.81020120     -0.67102732     -0.00761689
+S      4.30038279     -1.50339197     -0.00100927
+H     -0.21854473      0.16157266      0.00470104
+H      6.39288497      1.43583320     -0.01600648
+H      6.75125430     -1.21349689     -0.00820787 
+
+14
+-1478.6645925878063 12.771324 13.37333 -8.8633 -6.9511 -8.541 0.718 -0.7938 0.077 8.04519 0.62978 4.3416921536 10.643268205 0.191779198
+C      0.87249473     -0.12406713      0.06374542
+C      2.40289283     -0.03031081     -0.04482849
+C      2.89530884      1.38661406     -0.05263127
+N      3.01767456      2.13992640      1.01318352
+C      3.44137513      3.40609075      0.68785642
+C      3.65198927      3.64781795     -0.64613359
+S      3.30613313      2.21668181     -1.55497867
+H      0.55298623     -1.17483098      0.10430749
+H      0.38519492      0.35010714     -0.79999881
+H      0.52101080      0.38074632      0.97356527
+H      2.75141033     -0.54878921     -0.95060453
+H      2.86813840     -0.53375322      0.81628525
+H      3.59254850      4.13836712      1.48039699
+H      3.99177232      4.55777980     -1.13154498 
+
+11
+-1211.7380360814848 12.387501 12.07807 -9.2898 -7.4445 -9.363 -0.7178 -2.2922 -1.14 8.73333 1.76201 4.0016729472 10.5379049022 0.541593967
+C      2.91734346     -1.24139813      0.38716281
+C      2.38701680     -0.03696567      0.11758105
+C      3.10905856      1.22423607      0.09483027
+N      2.53373797      2.38713517     -0.17665000
+C      3.46991837      3.37660359     -0.11941385
+N      4.73316345      3.10099383      0.17219433
+S      4.82379278      1.44130005      0.41182256
+H      2.29908950     -2.13811306      0.38213739
+H      3.97603298     -1.37328864      0.61999510
+H      1.32329088      0.06326240     -0.11179826
+H      3.18350524      4.41084439     -0.31546139 
+
+9
+-1050.8079667751588 12.124684 11.9537 -9.6301 -7.7693 -9.543 -0.759 -2.3711 -1.131 8.94663 1.7202 3.7371612148 8.635500914 0.260144426
+C      0.88843612      0.07860484      0.00198728
+C      2.10381037      0.11084577     -0.00068094
+C      3.51178540      0.08404442     -0.00365897
+N      4.31776074      1.13753376     -0.00905943
+C      5.60791091      0.70012787     -0.01042837
+N      5.88825173     -0.59725556     -0.00639480
+S      4.43032498     -1.41515483     -0.00043018
+H     -0.18265511      0.06698132      0.00426909
+H      6.42514486      1.42244241     -0.01468368 
+
+13
+-1355.8228879045998 11.878729 12.55432 -9.588 -7.8219 -9.772 0.308 -1.3505 -0.42 9.13931 1.05367 4.2559558346 10.385811276 0.35358238
+C      0.90383832     -0.09416650      0.10801564
+C      2.42358262      0.01523909     -0.09412353
+C      2.89708546      1.43669797     -0.09666822
+N      2.85632266      2.24726968      0.94391328
+C      3.34260443      3.47160299      0.57957201
+N      3.76190006      3.69588615     -0.65692781
+S      3.54699145      2.25569260     -1.49505847
+H      0.59858324     -1.14878426      0.13650496
+H      0.36117873      0.39924924     -0.71008206
+H      0.60672817      0.38084593      1.05176129
+H      2.72173153     -0.47470399     -1.03268591
+H      2.94486145     -0.50874295      0.72256883
+H      3.39142189      4.27800406      1.31297999 
+
+11
+-1212.4278114412975 12.542015 12.35167 -9.0434 -7.2202 -9.232 -0.0571 -1.6843 -0.746 8.61288 1.34521 4.118876913 5.7494911906 0.487242467
+C      2.80567898     -1.08125667      0.38276627
+C      2.24118629      0.10525012      0.10863510
+C      2.98651853      1.35880638      0.02067048
+N      2.33718703      2.49247349     -0.25707977
+S      3.46456684      3.72913405     -0.28491118
+C      4.76445120      2.63619285      0.08405611
+N      4.35419620      1.40155971      0.21882377
+H      2.20348126     -1.98781803      0.43683664
+H      3.87893844     -1.16434223      0.55737129
+H      1.16775899      0.19645123     -0.06729333
+H      5.80104624      2.95466910      0.18864463 
+
+9
+-1049.2207399417596 12.054104 12.15568 -9.5122 -7.6103 -9.486 -0.3349 -1.9721 -0.843 8.90007 1.40818 4.0251930914 6.3914906986 0.459608263
+C      0.96975801     -0.04509569     -0.00081098
+C      2.18202304      0.01154259     -0.00004614
+C      3.60381278      0.07435420      0.00084052
+N      4.22298813      1.25937208      0.00323167
+S      5.86535177      0.95595118      0.00353993
+C      5.62123493     -0.76320186      0.00056856
+N      4.35222361     -1.08775565     -0.00074956
+H     -0.10001344     -0.09484007     -0.00148267
+H      6.43767118     -1.48405678     -0.00023133 
+
+13
+-1355.7872716025913 11.965254 12.70727 -9.5182 -7.7612 -9.841 0.3442 -1.379 -0.529 9.17801 1.11996 4.1556759578 6.7335308768 0.245663159
+C      0.96308586     -0.10694562     -0.09252918
+C      2.47579627      0.06764807      0.10416875
+C      2.90136720      1.50607616      0.04154520
+N      3.39483232      2.11641585      1.11386848
+S      3.74235468      3.70233389      0.67973807
+C      3.19183064      3.44218780     -0.94255149
+N      2.76897164      2.21524334     -1.13480254
+H      0.69516352     -1.17228370     -0.07367419
+H      0.64402242      0.31246430     -1.05626794
+H      0.40210821      0.40009236      0.70526641
+H      3.01568005     -0.48023669     -0.68446430
+H      2.79423591     -0.34074228      1.07231625
+H      3.20369128      4.21636652     -1.70885352 
+
+11
+-1196.1352752634687 12.508092 12.04272 -9.322 -7.4226 -9.014 -0.5209 -2.091 -0.824 8.56758 1.50899 4.2374323262 4.2688007842 0.413144782
+C      2.83746047     -1.28901444      0.43395189
+C      2.35930205     -0.07521372      0.11475725
+C      3.12118318      1.15930665      0.04856274
+N      2.56731897      2.31386947     -0.27447542
+N      3.44168317      3.35583212     -0.28225068
+C      4.65966550      2.99249521      0.03477157
+S      4.84880057      1.29771411      0.38014604
+H      2.18091623     -2.15788115      0.45571996
+H      3.88766720     -1.45557535      0.68134694
+H      1.30262188      0.06045428     -0.12834376
+H      5.49828079      3.68456284      0.08275347 
+
+9
+-1034.4751198270444 12.196144 11.92285 -9.6659 -7.7365 -9.192 -0.5549 -2.1612 -0.82 8.79868 1.48847 3.828935652 4.1298248768 0.291596056
+C      0.87083641      0.11665440     -0.00001760
+C      2.08584517      0.09111284      0.00018310
+C      3.49371341      0.03289737      0.00047381
+N      4.29837606      1.08447962      0.00089263
+N      5.61150567      0.74555144      0.00117618
+C      5.80737956     -0.55200645      0.00087220
+S      4.35751621     -1.50672398      0.00050959
+H     -0.19972339      0.15071755     -0.00019209
+H      6.79677088     -1.00556278      0.00106218 
+
+13
+-1339.691142386112 11.964012 12.47235 -9.5696 -7.7847 -9.518 0.4497 -1.2294 -0.187 9.12141 0.85878 4.4497583512 12.0046716808 0.270923129
+C      0.87864128     -0.11708690     -0.03765856
+C      2.40974416     -0.01143441      0.04372783
+C      2.90744879      1.40026618     -0.01593986
+N      3.35406962      2.06367076      1.02393854
+N      3.72199128      3.34961338      0.74087820
+C      3.55085350      3.65346470     -0.51931560
+S      2.90878075      2.36005099     -1.49346060
+H      0.56511232     -1.16748039      0.03391492
+H      0.49877908      0.28728204     -0.98654036
+H      0.40685749      0.44024058      0.78294006
+H      2.87152557     -0.59937725     -0.76443365
+H      2.77004358     -0.42557434      0.99604913
+H      3.78850258      4.62891467     -0.93926004 
+
+15
+-1481.4606229135625 15.847095 15.36842 -7.7746 -6.1046 -8.63 0.4512 -0.9878 -0.316 7.76495 1.11779 3.1437146244 10.9008119242 0.89083057
+C      0.68985951     -0.03657488      0.00022945
+C      2.15685908     -0.08056676      0.29156460
+C      3.02092510      0.88936324     -0.05960655
+N      4.37957252      0.89327154      0.26964229
+C      5.35770887      1.73470613     -0.19698698
+N      4.98504333      2.59312685     -1.20671176
+S      6.89571710      1.73826941      0.47655903
+H      0.36948622     -0.91630893     -0.58093160
+H      0.41593858      0.86362733     -0.56789248
+H      0.09547697     -0.04134332      0.92852440
+H      2.53364461     -0.95279424      0.83686764
+H      2.67592985      1.77737364     -0.59404173
+H      4.71478065      0.24646799      0.98146100
+H      4.29363778      2.27355849     -1.88342691
+H      5.77338985      3.09582349     -1.60458041 
+
+15
+-1478.3258126950452 15.15039 14.6748 -7.8226 -6.1352 -8.73 0.489 -0.9849 -0.36 7.78089 1.12559 3.1183842846 10.7848850142 0.813724626
+C      0.51266900     -0.59143744     -0.19932881
+C      2.01052130     -0.44815434     -0.27304819
+C      2.81201712     -1.51711758     -0.46191336
+N      2.59705490      0.83546187     -0.22282578
+C      2.14318038      2.08513797      0.13188307
+N      0.91372682      2.18950305      0.72960375
+S      3.08201325      3.44167974     -0.19904785
+H     -0.00170532      0.15721101     -0.81568812
+H      0.12865656     -0.50824910      0.82986624
+H      0.23678871     -1.59051748     -0.55530983
+H      2.38402065     -2.50979585     -0.58054989
+H      3.89706742     -1.42304338     -0.51501415
+H      3.55467943      0.88950414     -0.56674134
+H      0.55148771      1.41563521      1.27909096
+H      0.72228207      3.12043218      1.08713330 
+
+17
+-1621.1556589046024 14.409647 15.00748 -7.7001 -5.9275 -8.655 0.5476 -0.4246 -0.021 7.78435 0.76962 3.2252602166 10.7650348556 0.714645281
+C      0.87826394     -0.26180968     -0.02843682
+C      2.40927221     -0.22947060     -0.13378052
+C      2.91495190     -0.95611853     -1.38087216
+N      2.93506383      1.14298594     -0.14837245
+C      2.96456686      2.02704897      0.89159608
+N      2.73528506      1.51250717      2.14639068
+S      3.24301537      3.67044485      0.64995454
+H      0.53049150      0.29654647      0.85049083
+H      0.51802548     -1.29770946      0.05237836
+H      0.42545303      0.19109755     -0.92281936
+H      2.84042360     -0.74446433      0.74398746
+H      2.53485777     -0.46962573     -2.29286603
+H      2.56012559     -1.99522485     -1.38789017
+H      4.01244852     -0.96054871     -1.42110539
+H      3.00280730      1.60682947     -1.05256222
+H      2.92146758      0.52836967      2.32814988
+H      2.97191047      2.15550180      2.89588729 
+
+17
+-1619.4440179441403 14.41438 14.97064 -7.7143 -5.9318 -8.66 0.6656 -0.5079 -0.017 7.79414 0.75636 3.2372248656 10.7176226092 0.874723095
+C      2.73295471     -1.02019288      1.12142461
+C      2.30600843     -0.06525833      0.00670827
+C      3.00122310      1.30499513      0.07399031
+N      4.45351473      1.25993577     -0.07465841
+C      5.16129762      1.33932109     -1.23691095
+N      4.42530652      1.37143354     -2.39981104
+S      6.84151090      1.45487493     -1.24603298
+H      2.21160915     -1.98361399      1.03898401
+H      2.50318317     -0.60076257      2.11319371
+H      3.81292811     -1.22183151      1.07946495
+H      1.21815549      0.10948719      0.05224670
+H      2.50210173     -0.53410959     -0.97275249
+H      2.79101707      1.77144555      1.04918586
+H      2.59019953      1.98554493     -0.68920565
+H      5.04191952      1.28975268      0.75233072
+H      3.51660483      0.91495310     -2.43154037
+H      4.99279538      1.27984495     -3.23680725 
+
+15
+-1455.5776405619413 11.956032 13.33656 -10.1504 -8.1907 -10.211 0.5553 -1.0537 0.003 9.98371 0.65394 5.2387680594 6.4377002808 0.355219569
+C      0.85212011      0.09006198     -0.13684550
+C      2.33260132      0.10135479     -0.32842362
+C      3.19110378      0.85533857      0.36628796
+S      4.92735137      0.85506161     -0.03848887
+C      5.68347199      0.10613543      1.41546173
+O      5.15006269     -0.05706480     -1.17298348
+O      5.36513160      2.26055609     -0.08441698
+H      0.50188351     -0.92838419      0.09279636
+H      0.34656654      0.38710919     -1.06902133
+H      0.52879729      0.76477409      0.66610660
+H      2.75056248     -0.54445671     -1.10848961
+H      2.90809581      1.56577772      1.14653528
+H      5.42739277      0.70424130      2.29708148
+H      6.76519913      0.13719504      1.23544979
+H      5.33121962     -0.92702012      1.50470018 
+
+15
+-1454.3933489013934 11.612374 12.70108 -10.2425 -8.2721 -10.273 0.507 -1.1023 -0.155 10.06896 0.69411 5.0202799302 6.5429395976 0.38741677
+C      1.19104742      0.05430485      0.38137577
+C      2.59693766     -0.07758647     -0.11646079
+C      3.15108203     -1.13532839     -0.71593708
+S      3.63327753      1.40480547      0.03024708
+C      3.94096615      1.51941678      1.80370316
+O      4.93025732      1.14959751     -0.61575669
+O      2.80095180      2.55862063     -0.35376660
+H      0.69455811      0.91124256     -0.09543492
+H      1.15494777      0.22174873      1.46892997
+H      0.62348823     -0.85886843      0.16049255
+H      2.57241926     -2.04575976     -0.88462406
+H      4.18347757     -1.10104622     -1.06436536
+H      2.99020308      1.63807599      2.33443360
+H      4.56024303      2.41584310      1.93052955
+H      4.48411303      0.62397364      2.12439384 
+
+17
+-1599.841486548105 11.64143 13.0007 -10.0389 -8.1234 -10.222 0.6765 -0.2766 -0.014 9.87375 0.41348 5.2387060664 10.5381528742 0.234084972
+C      0.95472220     -0.01567399     -0.04072460
+C      2.48066281      0.00659126     -0.06429397
+C      3.10733459     -0.79032566     -1.20529169
+S      3.12842811      1.72586077     -0.01069840
+C      2.57718634      2.49455833     -1.54716851
+O      2.44945581      2.42282779      1.09614904
+O      4.59923365      1.64874803     -0.06242904
+H      0.55965284      0.61406445      0.76597614
+H      0.60794445     -1.04618714      0.12244660
+H      0.53087547      0.32364856     -0.99751882
+H      2.87414568     -0.35362122      0.90248594
+H      2.72257800     -0.46598529     -2.18354680
+H      2.85165267     -1.85345661     -1.09043785
+H      4.20023695     -0.69544051     -1.20416762
+H      3.01049594      1.96420283     -2.40179221
+H      2.97014195      3.51711608     -1.49800981
+H      1.48262255      2.51186231     -1.57970840 
+
+13
+-1294.2400763731412 11.728461 13.8775 -10.1677 -8.1838 -10.446 1.0054 -0.7326 -0.65 10.25786 1.2141 4.1911235552 10.2558367522 0.525208701
+C      0.98662321     -0.01184196      0.01938624
+C      2.43558175     -0.01654637      0.03537954
+C      3.65368754     -0.01913378      0.04659094
+S      5.37711194      0.02873790     -0.05073931
+C      5.84624530     -0.82722265      1.45513892
+O      5.78754155     -0.79389830     -1.19378614
+O      5.79765952      1.42912160      0.06652350
+H      0.60019776      1.01745517      0.02900139
+H      0.58648324     -0.53568757      0.89941142
+H      0.60610422     -0.51576724     -0.88068723
+H      5.45751648     -0.26599861      2.31135424
+H      6.94360117     -0.83327394      1.45802500
+H      5.45105634     -1.84766425      1.41418148 
+
+17
+-1599.2701296993737 11.859799 13.53598 -10.159 -8.2611 -10.267 0.6728 -0.293 0.132 9.92871 0.21776 5.3190737916 10.8250812754 0.135499944
+C      1.17281445     -0.32111787     -0.01078707
+C      2.70064522     -0.23839839      0.03078355
+C      3.19408829      1.19243544     -0.18383838
+S      5.00942720      1.25471521     -0.12718571
+C      5.36511472      2.99420212     -0.43497492
+O      5.43568176      0.94707041      1.24938720
+O      5.53014259      0.48294084     -1.26936272
+H      0.83747054     -1.35645580      0.14056905
+H      0.77725401      0.01954479     -0.97951561
+H      0.71435857      0.29664644      0.77601559
+H      3.13746108     -0.88524687     -0.74472815
+H      3.07427956     -0.60347266      0.99926693
+H      2.83776286      1.87280867      0.60434990
+H      2.90195700      1.58280798     -1.17049202
+H      4.99126295      3.26791871     -1.42774496
+H      6.45821499      3.07574998     -0.40273386
+H      4.91407421      3.60043103      0.35838118 
+
+14
+-1336.7962877576163 11.355578 12.71464 -9.9171 -7.9748 -10.53 0.785 -0.9168 -0.017 10.10482 0.69695 5.2893419488 11.65840358 0.392146349
+C      0.99516224      0.05970880      0.13678405
+C      2.48162969      0.15541701      0.24282999
+C      3.23001377      1.07919010     -0.36861663
+S      4.99675938      1.05410345     -0.24453066
+N      5.30166633      2.57181542      0.45710735
+O      5.38543555      0.00029020      0.69995429
+O      5.53853000      1.13160469     -1.60628564
+H      0.70438775     -0.91977194     -0.27421685
+H      0.57113431      0.84611386     -0.50044693
+H      0.53368698      0.12692549      1.13433153
+H      2.99718576     -0.58616958      0.86151816
+H      2.84688939      1.86524156     -1.02154856
+H      6.04260126      3.02343839     -0.08502295
+H      5.59083760      2.43975255      1.42935285 
+
+14
+-1335.047174829363 11.016696 12.13332 -10.0521 -8.0542 -10.676 0.8672 -0.804 -0.133 10.24094 0.80172 5.0452631092 6.5034748538 0.399117377
+C      1.01909043      0.11520726      0.15151618
+C      2.49737316     -0.07876569     -0.01193380
+C      3.15795938     -1.23970297     -0.02176618
+S      3.36314909      1.48689525     -0.20672066
+N      4.98793305      1.04410849     -0.37396986
+O      2.92068739      2.06677334     -1.48184017
+O      3.22286609      2.21565531      1.06101422
+H      0.80132897      0.73039002      1.03647402
+H      0.52474273     -0.85740971      0.26429435
+H      0.59433702      0.63159071     -0.72133998
+H      2.60984620     -2.17621133      0.09843658
+H      4.23798621     -1.28045053     -0.14730724
+H      5.51758325      1.47117919      0.38912687
+H      5.31865703      1.37096067     -1.28454432 
+
+16
+-1482.2779772426384 11.029373 12.37168 -10.3644 -8.4607 -10.636 0.7792 -0.2691 0.093 10.29412 0.36151 5.6226659112 10.9499599746 0.119591139
+C      0.97486227      0.07879718     -0.05506873
+C      2.49873291      0.00469304     -0.04960701
+C      3.08256122     -0.83677094     -1.18052275
+S      3.22458229      1.68147723     -0.05436874
+N      2.69710201      2.30722881     -1.55002177
+O      2.56944147      2.45932884      1.00531065
+O      4.68479928      1.54031073     -0.12538362
+H      0.60038474      0.70202826      0.76609887
+H      0.56349274     -0.93387960      0.06201014
+H      0.60931857      0.48577867     -1.00856358
+H      2.85955223     -0.36383901      0.92588170
+H      2.76195524     -0.44943267     -2.15806773
+H      2.71726089     -1.86946037     -1.08802144
+H      4.17865026     -0.85237573     -1.14468279
+H      3.52436411      2.54517877     -2.10270226
+H      2.14131976      3.14558679     -1.36378095 
+
+12
+-1174.7902472535627 11.128512 13.27152 -10.2771 -8.1887 -10.682 1.1591 -0.5783 -0.663 10.33962 1.2452 4.1971864706 10.2182689942 0.538658667
+C      1.00778546     -0.02722301      0.00949014
+C      2.45613393     -0.01100368      0.04567370
+C      3.67261471     -0.00154950      0.08712824
+S      5.38138528      0.07013781     -0.00019400
+N      5.82213706     -0.60315772      1.48052917
+O      5.80431125     -0.85022176     -1.05441399
+O      5.76161196      1.48159380      0.01851866
+H      0.60036530      0.97504289      0.20518099
+H      0.60737839     -0.71500773      0.76820027
+H      0.64789737     -0.35814054     -0.97539334
+H      6.34198183      0.08953004      2.02308443
+H      6.36961747     -1.45006060      1.31464573 
+
+16
+-1481.1397598623294 11.225141 12.87911 -10.551 -8.5785 -10.689 0.771 -0.2468 0.251 10.35236 0.15597 5.6890728128 11.3924784072 0.196034994
+C      1.32460495     -0.41071653      0.06935559
+C      2.80332772     -0.09524542      0.30838703
+C      3.24558840      1.13901891     -0.47607187
+S      4.99166833      1.50410207     -0.18695435
+N      5.20917075      2.88424375     -1.15762633
+O      5.14399432      1.91683114      1.21432961
+O      5.78648597      0.41675698     -0.77279282
+H      1.02144803     -1.29934990      0.63982338
+H      1.12271419     -0.61097723     -0.99349498
+H      0.67955888      0.42366477      0.38285178
+H      3.42584712     -0.95234303      0.01062435
+H      2.98497692      0.07591324      1.38008096
+H      2.69869895      2.04431131     -0.17572463
+H      3.14599825      1.00247409     -1.56248379
+H      5.92810216      2.67297119     -1.85430873
+H      5.51391505      3.65227466     -0.55420518 
+
+13
+-1272.465212314449 10.64487 12.03539 -10.4407 -8.4235 -10.788 0.4608 -1.2646 -0.255 10.37179 0.92854 5.1944802602 6.425760429 0.314270952
+C      0.99282287      0.04638108      0.16792724
+C      2.47851975      0.18428518      0.20446632
+C      3.17644486      1.08132206     -0.50092777
+S      4.94150589      1.11196175     -0.44072820
+O      5.21907703      2.61833818      0.20067368
+O      5.42610091      0.12595153      0.52750041
+O      5.43828694      1.20043913     -1.80665446
+H      0.71322216     -0.96607627     -0.16224606
+H      0.52101840      0.77687425     -0.50115761
+H      0.57247389      0.16893034      1.17837850
+H      3.03635677     -0.50333668      0.84813811
+H      2.75030018      1.80838783     -1.19404061
+H      5.34081033      2.48034162      1.16254045 
+
+13
+-1271.7288666236634 10.335336 11.47355 -10.6139 -8.504 -10.924 0.4145 -1.2977 -0.401 10.43675 0.92962 4.9604442866 6.5337398364 0.31084626
+C      1.22573189     -0.00029645     -0.51092323
+C      2.51721755     -0.11155548      0.23641290
+C      3.00838922     -1.17731894      0.87586204
+S      3.48126175      1.40283515      0.31746932
+O      3.86712890      1.61297684     -1.28611738
+O      2.57476972      2.49962718      0.63017644
+O      4.73387137      1.17400219      1.03847693
+H      0.57953987      0.76197732     -0.05399437
+H      0.70404269     -0.96539019     -0.50269477
+H      1.39794473      0.30104650     -1.55415586
+H      2.45193605     -2.11604633      0.88672479
+H      3.96006678     -1.13045728      1.40367774
+H      4.77514948      1.26013949     -1.38636456 
+
+15
+-1417.6472433518195 10.361366 11.79111 -10.9832 -8.9887 -10.998 0.7591 -0.3915 -0.272 10.24659 0.68129 5.4893685626 10.5836805334 0.210548788
+C      0.95499669      0.01669864     -0.03594482
+C      2.48115493     -0.01625639     -0.03448737
+C      3.09267345     -0.81469774     -1.18169103
+S      3.15017555      1.68157916     -0.00321162
+O      2.57510801      2.28802539     -1.44296148
+O      2.47994286      2.42794668      1.05455741
+O      4.61213907      1.63653699     -0.11447961
+H      0.56574605      0.60843917      0.80090201
+H      0.57558656     -1.01055797      0.05644411
+H      0.57329803      0.44017294     -0.97496826
+H      2.85433220     -0.39240042      0.93342214
+H      2.74048942     -0.43847526     -2.15248108
+H      2.77943057     -1.86445644     -1.09449403
+H      4.18867684     -0.77885211     -1.15947010
+H      3.36648977      2.40013735     -2.00773629 
+
+11
+-1110.1405633751208 10.443954 12.58798 -10.6728 -8.518 -10.914 0.7882 -1.0223 -0.965 10.58932 1.5369 4.2265091596 10.3786944796 0.661419822
+C      0.94768399      0.00203344     -0.01338096
+C      2.39490876     -0.00813302      0.02208733
+C      3.61145592     -0.02168177      0.06036743
+S      5.31437860      0.02294659      0.00309531
+O      5.70028029     -0.83632613      1.35419157
+O      5.75993751     -0.78950090     -1.11383243
+O      5.74975088      1.40012598      0.21544285
+H      0.56488313      1.03239861      0.00584174
+H      0.53589687     -0.53429489      0.85363798
+H      0.57863578     -0.48751861     -0.92594921
+H      5.84989825     -0.17237930      2.05925838 
+
+15
+-1416.663956409766 10.527042 12.22172 -11.048 -9.0681 -11.053 0.7523 -0.3497 -0.136 10.31316 0.49517 5.5431412908 12.4713053904 0.145223631
+C      1.27771487     -0.37827742     -0.10846946
+C      2.76783539     -0.11366256      0.11995784
+C      3.14479638      1.31275849     -0.28111723
+S      4.89862640      1.62263320      0.00004775
+O      4.97900930      3.22855192     -0.41369277
+O      5.16499354      1.54490770      1.43109354
+O      5.69718221      0.88384871     -0.98388182
+H      1.02011016     -1.40602046      0.18103833
+H      1.00316036     -0.25018358     -1.16599533
+H      0.65314361      0.30364240      0.48726320
+H      3.37165265     -0.82519105     -0.46314985
+H      3.02218103     -0.26775516      1.17889697
+H      2.61520780      2.06832541      0.31648100
+H      2.97314070      1.50540881     -1.34955378
+H      5.52012560      3.25880360     -1.22942839 
+
+17
+-1613.1973520571555 14.218455 14.52392 -7.5971 -5.862 -8.477 0.576 -0.3678 0.019 7.60474 0.75728 3.1380608628 10.519778149 0.370183819
+C      2.50045290     -0.27004690     -1.76214004
+C      2.81137266      0.04371026     -0.29982588
+N      3.33149173      1.40256606     -0.10415981
+C      2.36006997      2.48975537     -0.04600356
+C      4.67271589      1.63586968     -0.00908836
+N      5.03072434      2.95369123      0.22499472
+S      5.86809105      0.46040767     -0.21958817
+H      2.09392262     -1.28781361     -1.84957219
+H      3.41939159     -0.21103495     -2.36048562
+H      1.75905479      0.42452595     -2.18445434
+H      3.57955884     -0.64394909      0.07771307
+H      1.91085398     -0.05854914      0.32742784
+H      2.15937567      2.81708805      0.99064596
+H      1.41253344      2.14350475     -0.47514790
+H      2.70266106      3.35174787     -0.63558688
+H      4.42291688      3.52646081      0.80806086
+H      6.02192259      3.04389600      0.43130031 
+
+17
+-1614.5102577811153 14.308661 14.79245 -7.5805 -5.8516 -8.482 0.5414 -0.4077 0.11 7.6171 0.66482 3.2496358642 10.6822122076 0.671781063
+C      1.55299263      1.98933093      0.09822408
+C      1.83421191      0.57884483     -0.41965570
+N      3.19792105      0.12528273     -0.15703543
+C      3.58117527     -0.49200235      0.99832379
+S      2.51374294     -0.96341116      2.22097902
+N      4.92467411     -0.73202216      1.12119759
+C      5.91642448     -0.55923179      0.07595517
+H      0.51231134      2.27051616     -0.11901335
+H      2.21053756      2.73317512     -0.37552586
+H      1.70092334      2.02661765      1.18579179
+H      1.67213260      0.51910124     -1.50704253
+H      1.16771985     -0.14459321      0.06999780
+H      3.92501314      0.48830660     -0.76806761
+H      5.15767776     -1.27432868      1.94704386
+H      5.66156446     -1.12080979     -0.83968426
+H      6.87932819     -0.93084780      0.44391265
+H      6.05778937      0.50380166     -0.18562101 
+
+16
+-1474.9581120419084 11.208374 12.82013 -9.9907 -8.023 -10.685 0.7404 -0.2505 0.309 10.33388 0.03345 5.674529255 11.255759045 0.163247122
+C      1.28489558     -0.29535171      0.98181489
+C      2.78983634     -0.37182294      0.75488821
+N      3.28471168      0.93407799      0.27165221
+S      4.94188032      1.06543994     -0.07669493
+C      5.56606098      1.78886695      1.44070911
+O      5.55461031     -0.26276315     -0.20523876
+O      5.04208178      2.07311998     -1.13891472
+H      0.91395279     -1.25343130      1.37041877
+H      0.75024598     -0.08978002      0.04208573
+H      1.03116184      0.49528367      1.70121505
+H      3.04201953     -1.18407000      0.05402710
+H      3.30289353     -0.59343396      1.70291698
+H      2.79622573      1.26441948     -0.56662535
+H      5.10144383      2.77087136      1.57104447
+H      6.65158218      1.87364592      1.31501773
+H      5.33183760      1.11732779      2.27417350 
+
+13
+-1273.2485782433891 10.349186 11.26716 -9.6443 -7.7915 -10.545 -0.0431 -1.9067 -1.541 10.22865 2.38401 3.7442780112 10.0846244848 0.190609296
+C      2.98168773     -1.29886158      0.24465561
+C      2.61342911     -0.14861786     -0.63609976
+O      1.87791910     -0.13966653     -1.59142001
+S      3.46739202      1.46732092     -0.10598138
+C      2.84778928      2.63902358     -1.31814677
+O      2.93304383      1.82564052      1.22318289
+O      4.91663617      1.28066774     -0.31920749
+H      4.07099116     -1.44476149      0.21001642
+H      2.45949500     -2.20334558     -0.08372893
+H      2.72428930     -1.05695008      1.28589312
+H      3.13145300      2.29613877     -2.31808287
+H      3.34215542      3.58598120     -1.07103497
+H      1.76184888      2.72045039     -1.20882588 
+
+15
+-1402.5252934801717 10.667179 11.75952 -9.7935 -7.8694 -10.265 0.5241 -0.5582 -0.408 9.66322 0.82879 4.9993510934 10.8599461386 0.095123874
+C      0.99467861     -0.07918415      0.00219224
+C      2.50587272      0.01807558     -0.08070875
+O      3.07378443     -0.59275478     -1.21573036
+S      3.09293883      1.79612220      0.07031808
+C      2.66118214      2.53551158     -1.51953058
+O      2.27970717      2.44509686      1.11730134
+O      4.56133856      1.77046578      0.15540471
+H      0.62125722      0.44760923      0.88835535
+H      0.70075705     -1.13610804      0.06263631
+H      0.51384234      0.36156596     -0.88552056
+H      2.99395372     -0.42374060      0.80309616
+H      2.44930176     -0.49319160     -1.95726319
+H      3.20603735      2.01387668     -2.31361339
+H      3.00382870      3.57449648     -1.44525927
+H      1.57488941      2.50799883     -1.66065809 
+
+15
+-1408.6581116619423 10.588582 12.23569 -10.4487 -8.4989 -11.03 0.8392 -0.1507 0.042 10.66519 0.28408 5.55147315 12.3015437592 0.236918147
+C      1.21247777     -0.44468081     -0.44215387
+C      2.70211118     -0.36419434     -0.18616750
+O      3.08730189      1.04181063     -0.33294814
+S      4.69948383      1.32178123     -0.09798689
+C      4.61972805      3.08574076     -0.36357356
+O      5.04046078      1.04427816      1.29889663
+O      5.46260888      0.69107818     -1.17699868
+H      0.88244668     -1.48765031     -0.33864426
+H      0.96815324     -0.10446678     -1.45729027
+H      0.65500059      0.16688936      0.27978614
+H      3.27340913     -0.96123863     -0.91318782
+H      2.95959362     -0.69232277      0.83233010
+H      4.25560549      3.26568462     -1.37966451
+H      5.64682688      3.44799065     -0.24446324
+H      3.96007200      3.51943005      0.39413586 
+
+13
+-1302.458956482816 11.704347 12.47259 -10.3327 -8.3612 -10.28 -0.1433 -1.8209 -0.324 9.63289 0.68773 5.1918641556 6.628663518 0.465348776
+C      1.81450262     -0.74588858      1.32129235
+C      2.39804997     -0.43166213      0.16490096
+S      3.32994897      1.08620485      0.01015787
+O      2.91857068      1.71527699     -1.25483306
+O      3.27285668      1.80297666      1.29396466
+C      5.00160570      0.47948233     -0.17409623
+C      5.64531140      0.62727453     -1.33176430
+H      1.19963873     -1.64195722      1.41731451
+H      1.93109226     -0.09635852      2.19095469
+H      2.32358391     -1.00571474     -0.76015557
+H      5.42364202      0.05126327      0.73656440
+H      5.14384865      1.08723104     -2.18549590
+H      6.68311842      0.31022152     -1.44424437 
+
+11
+-1135.5706413178432 11.236582 12.40523 -10.683 -8.692 -10.54 -0.2106 -1.9589 -0.795 10.66464 0.95633 4.4555360988 6.6169344424 0.326615047
+C      2.15886420     -0.75333767     -1.07011336
+C      2.65864517     -0.11334012     -0.01335145
+S      3.27711748      1.54649317     -0.19047148
+O      3.13883628      1.97374142     -1.58437458
+O      2.75300882      2.34158999      0.92246903
+C      4.96802144      1.29456130      0.11092045
+C      6.15438049      1.15433004      0.33190731
+H      1.72107102     -1.74702305     -0.96802239
+H      2.17033721     -0.28635768     -2.05636251
+H      2.67848855     -0.48602693      1.01177013
+H      7.20272934      1.03178952      0.52204887 
+
+15
+-1451.010701599113 11.695148 12.89756 -10.2053 -8.3064 -10.249 0.3525 -1.3476 -0.098 9.6086 0.71542 5.2496168344 10.4839089992 0.176147425
+C      1.04753525     -0.29077910      0.07252067
+C      2.56575074     -0.23493856     -0.06037022
+S      3.13184473      1.49226847     -0.07649496
+O      2.67589430      2.10795738     -1.33484186
+O      2.80397856      2.09141293      1.22985544
+C      4.91283265      1.31772574     -0.13693628
+C      5.58904739      1.71926729     -1.21238044
+H      0.72000854     -1.33879065      0.08800858
+H      0.56053365      0.21121664     -0.77325608
+H      0.71736271      0.18925115      1.00261092
+H      2.92568832     -0.67419127     -1.00107351
+H      3.07547929     -0.71207989      0.78904763
+H      5.36060592      0.93685553      0.78279619
+H      5.05639377      2.11632409     -2.07885517
+H      6.67876418      1.67678024     -1.24351091 
+
+13
+-1284.8828750027399 11.277623 12.86323 -10.6643 -8.6416 -10.528 0.6501 -1.1092 -0.782 9.89285 -0.36804 4.4707243838 11.211372057 0.263551606
+C      1.00378333     -0.03315043      0.01086767
+C      2.52501498      0.07752290      0.00093723
+S      3.01875933      1.81871664     -0.00632451
+O      2.62225406      2.42108842     -1.28351242
+O      2.63873103      2.42705899      1.27304749
+C      4.75147754      1.66831204     -0.01689776
+C      5.96452057      1.60962507     -0.02100228
+H      0.72134323     -1.09402906      0.01508903
+H      0.56695775      0.43617432     -0.87963181
+H      0.57830506      0.44024345      0.90470187
+H      2.97664954     -0.35963188     -0.90026489
+H      2.98809711     -0.35545524      0.89833776
+H      7.03583647      1.55755479     -0.02472737 
+
+17
+-1599.8565320377695 11.771971 13.34071 -10.0694 -8.1483 -10.225 0.6761 -0.3306 0.134 9.87784 0.22294 5.3101839954 10.5059785072 0.331909688
+C      1.04627925     -0.07512016      0.04304903
+C      2.56636499      0.03764104      0.03258616
+S      3.06332557      1.78712487     -0.00425143
+O      2.63046626      2.35812878     -1.29405777
+O      2.64432626      2.40786366      1.26702989
+C      4.87976816      1.69048029     -0.01215806
+C      5.47879799      3.09182050     -0.03974816
+H      0.75566144     -1.13370710      0.06574349
+H      0.61320982      0.38351377     -0.85507303
+H      0.62284659      0.41907715      0.92678452
+H      3.01162210     -0.42399041     -0.86012155
+H      3.02127989     -0.38866164      0.93790249
+H      5.14925961      1.10519201     -0.90272606
+H      5.15886677      1.13660809      0.89538440
+H      5.16149625      3.63590924     -0.93853894
+H      6.57466364      3.02390024     -0.04493664
+H      5.17173540      3.66651967      0.84340164 
+
+10
+-1038.7920176120376 10.145957 11.16102 -11.6524 -9.5904 -11.035 -0.8102 -2.6188 -1.595 10.37003 2.10744 4.5306840134 6.5376081996 0.181149968
+C      0.97438202     -0.11140640      0.26714434
+C      2.16262922      0.14848875     -0.27824818
+S      2.89733702      1.74729680     -0.05313141
+O      2.03399012      2.59464179      0.76343721
+O      4.32545973      1.57931513      0.19613725
+C      2.76359607      2.36825647     -1.71979238
+N      2.68498105      2.77414359     -2.81313298
+H      0.53043153     -1.10409483      0.18549615
+H      0.42954237      0.66025964      0.81303498
+H      2.79068087     -0.55328095     -0.82845498 
+
+12
+-1188.346621276785 10.235539 11.623 -11.5907 -9.6765 -11.043 0.3813 -1.5732 -1.618 10.44639 0.67626 4.5235300212 8.515172501 0.18034963
+C      0.99572912     -0.03824082      0.01011694
+C      2.51670549      0.08628542      0.00172224
+S      2.98822771      1.82861712     -0.00382559
+O      2.63326111      2.43801939     -1.28359519
+O      2.64698342      2.44244007      1.27756058
+C      4.76724191      1.64763066     -0.01303580
+N      5.92950798      1.52809376     -0.01905900
+H      0.73134183     -1.10348341      0.01335306
+H      0.55280507      0.42264058     -0.88140183
+H      0.56241644      0.42568291      0.90477561
+H      2.97481908     -0.34273087     -0.90037989
+H      2.98450086     -0.33960483      0.90032888 
+
+11
+-1113.2841246230303 10.242506 10.8814 -10.0418 -8.1057 -10.684 -0.3387 -2.3644 -1.886 10.10631 2.67305 3.5615226472 6.6549361514 0.25402297
+C      2.59366129     -0.73085115     -1.15131981
+C      3.06658068     -0.12630107     -0.06233065
+S      3.27711798      1.64288371     -0.05952350
+O      2.85294833      2.20619854     -1.35437758
+O      2.77769108      2.17584492      1.22213624
+C      5.13727561      1.86411342      0.01018587
+O      5.92291479      0.95704593      0.02889259
+H      2.40700065     -1.80550817     -1.15969097
+H      2.37213958     -0.15692651     -2.05295028
+H      3.30355798     -0.60988743      0.88564650
+H      5.38587204      2.95092782      0.04141157 
+
+13
+-1262.907093545699 10.350512 11.32775 -9.9584 -8.0463 -10.674 -0.3405 -2.3887 -1.899 10.34678 2.67384 3.5485041172 11.3009891378 0.101194285
+C      1.06614763     -0.27526003      0.03234256
+C      2.53462599      0.12304419     -0.08339308
+S      2.70040441      1.91604991      0.09383781
+O      2.06866765      2.59133362     -1.05694444
+O      2.37603495      2.31296956      1.47826187
+C      4.53744070      2.20218338     -0.09679314
+O      5.33741057      1.32735953     -0.29556711
+H      0.97899610     -1.36387167     -0.07730323
+H      0.46431661      0.19922497     -0.75308116
+H      0.65507764      0.00603793      1.01020726
+H      2.96688934     -0.11905674     -1.06381842
+H      3.15917035     -0.31198460      0.70864904
+H      4.76633807      3.28952997      0.00174203 
+
+15
+-1404.3368898103772 10.655184 11.91242 -10.0478 -8.0844 -10.416 0.7979 -0.2765 -0.195 10.08792 0.53729 5.2230838304 11.3303242254 0.114452612
+C      1.10141170     -0.13979858      0.07423013
+C      2.60827467      0.00053153     -0.11164323
+S      3.10317030      1.74357091     -0.00761417
+O      2.68422529      2.44122892     -1.23575032
+O      2.72308942      2.24943301      1.33106397
+C      4.94104552      1.68039570      0.01917614
+O      5.41558706      1.15191570      1.22588594
+H      0.82313879     -1.20022451      0.01527000
+H      0.55372849      0.40334867     -0.70676065
+H      0.79080556      0.24630774      1.05330861
+H      2.94402609     -0.34205907     -1.10061662
+H      3.18172889     -0.51240347      0.67378347
+H      5.22572994      2.73138858     -0.16900244
+H      5.28066472      1.04695698     -0.81053083
+H      4.99613355      1.66811789      1.94406999 
+
+16
+-1473.8232324736232 11.116906 12.62962 -10.0413 -8.0366 -10.646 0.7784 -0.2119 0.264 10.29345 0.12873 5.666532158 11.1267764092 0.186927364
+C      0.55799894      0.11195999      0.29631315
+C      1.97531135     -0.34385007     -0.02874138
+S      3.10609497      1.06689586     -0.08550850
+O      2.80468776      1.85547909     -1.28824890
+O      3.12304847      1.67614183      1.25222808
+N      4.58512512      0.29461605     -0.40654110
+C      5.46685555      0.03150346      0.74130540
+H     -0.10948816     -0.75949072      0.32932028
+H      0.18185610      0.80356053     -0.46868463
+H      0.51988981      0.61441919      1.27129922
+H      2.05776819     -0.81896749     -1.01499935
+H      2.38058863     -1.02281317      0.73507410
+H      5.02924435      0.84240996     -1.14799641
+H      4.99549621     -0.70283211      1.40730511
+H      5.70496313      0.93258363      1.32507489
+H      6.39236957     -0.41347602      0.35445003 
+
+15
+-1405.9133746507032 10.498527 12.07964 -10.457 -8.5084 -11. 0.8575 -0.188 0.009 10.63056 0.33916 5.5469352624 10.7982135092 0.162293902
+C      1.02575630     -0.08706691      0.05604088
+C      2.54630541      0.02483566      0.04015968
+S      3.03555636      1.75735029     -0.01472173
+O      2.64841895      2.35165726     -1.29749252
+O      2.66816285      2.42624735      1.23674155
+O      4.66766566      1.47385633     -0.01907786
+C      5.46247273      2.68790986     -0.06171520
+H      0.74332676     -1.14738438      0.08956891
+H      0.58595893      0.35754758     -0.84577864
+H      0.60068549      0.41006094      0.93725768
+H      2.99784792     -0.43571611     -0.84818938
+H      3.01263229     -0.38298419      0.94646618
+H      6.50213556      2.34518494     -0.05920101
+H      5.26650807      3.30713075      0.82440658
+H      5.25283672      3.25272063     -0.98044511 
+
+12
+-1399.461576046247 12.578577 12.58192 -8.9931 -7.195 -9.526 0.6709 -0.7027 0.147 9.02753 0.35045 4.6675025644 6.138422874 0.752435589
+Cl      1.00589447      0.01845422      0.19881459
+C      2.75639116      0.03800792      0.03002185
+C      3.42240258      1.26375610     -0.03505029
+C      4.81355225      1.27036517     -0.16978559
+C      5.52566440      0.06906292     -0.23812141
+C      4.84055596     -1.14791293     -0.17095648
+C      3.44960265     -1.17250658     -0.03621965
+H      2.85686615      2.19352307      0.01915683
+H      5.33987506      2.22483246     -0.22131046
+H      6.61118223      0.08125227     -0.34342929
+H      5.38807143     -2.09033219     -0.22344280
+H      2.90499166     -2.11473244      0.01708268 
+
+11
+-1270.0880946215673 11.803706 11.7591 -9.3846 -7.5599 -9.62 0.1277 -1.3316 -0.335 9.11646 0.94006 4.3849012746 6.5039088048 0.58036741
+Cl      1.00994640     -0.04574563      0.16970377
+C      2.75762684     -0.02299678      0.03061070
+C      3.44353261      1.18813604     -0.05306885
+C      4.83392375      1.13701298     -0.16266301
+C      5.46407838     -0.11002279     -0.18293233
+N      4.80183519     -1.27618631     -0.10227053
+C      3.46712783     -1.22912210      0.00308844
+H      2.90259010      2.13384404     -0.03343853
+H      5.41915441      2.05511106     -0.23137820
+H      6.55203645     -0.17987951     -0.26802358
+H      2.93283803     -2.18060101      0.06853211 
+
+11
+-1270.860360353512 11.774574 11.75711 -9.7925 -7.8758 -9.665 0.1586 -1.2811 -0.386 9.9428 0.94965 4.404230692 6.4736438222 0.494225127
+Cl      0.98843755      0.02140507      0.14132922
+C      2.73533533      0.03704773      0.01940023
+C      3.42303913      1.24936908     -0.02499007
+C      4.81670987      1.19801382     -0.12290114
+N      5.53131296      0.06215861     -0.17655017
+C      4.83663514     -1.08635402     -0.13134260
+C      3.44407735     -1.16272779     -0.03390021
+H      2.89356658      2.20045901      0.01521147
+H      5.38742015      2.13081365     -0.15995999
+H      5.42353034     -2.00876312     -0.17520359
+H      2.93129559     -2.12319203     -0.00069316 
+
+10
+-1142.8324318045206 10.972727 10.94474 -9.7833 -7.823 -10.175 -0.2814 -1.8159 -0.625 10.03924 1.27768 4.1097391448 8.4318291118 0.576695575
+Cl      0.99541418     -0.02584548     -0.00389167
+C      2.74237027      0.00359552     -0.00036589
+C      3.44161461      1.21254655      0.00273118
+N      4.78136064      1.24010668      0.00546613
+C      5.39882917      0.04866906      0.00505286
+N      4.82213734     -1.16302630      0.00216216
+C      3.48221929     -1.18095459     -0.00055618
+H      2.91042334      2.16817478      0.00300535
+H      6.49217323      0.06722220      0.00726283
+H      2.98384792     -2.15410842     -0.00293677 
+
+10
+-1089.0805466428355 12.202689 13.0204 -8.4044 -6.6093 -8.989 0.6382 -0.4333 0.017 8.44778 0.61617 3.7610409184 6.1630464936 0.376574372
+Cl      0.94048112      0.06025683     -0.01097601
+C      2.66895210      0.01604277     -0.00189752
+C      3.51182345      1.11412841      0.00384625
+N      4.80108224      0.63269560      0.01010202
+C      4.80572416     -0.74351500      0.00851162
+C      3.48354899     -1.15343413      0.00103365
+Cl      2.92594304     -2.79006428     -0.00386293
+H      3.28467092      2.17313200      0.00388119
+H      5.63250312      1.21179555      0.01515947
+H      5.72024085     -1.32378775      0.01265225 
+
+13
+-1391.6794384942568 12.286676 13.06057 -8.1252 -6.2585 -8.465 0.7328 -0.1313 0.598 7.92452 0.05778 3.9548186378 10.7868067972 0.616015574
+C      0.97921190      0.01138676     -0.00885892
+N      2.43324593     -0.00664804      0.00049951
+C      3.25117503      1.10202210      0.00427250
+C      4.57070785      0.68078295      0.01076776
+C      4.53177414     -0.73749509      0.01054526
+Cl      5.90952424     -1.80089218      0.01797342
+C      3.20898358     -1.14741879      0.00406303
+H      0.63760168      1.05243271      0.00128793
+H      0.57784853     -0.49820509      0.87852737
+H      0.58853301     -0.47767845     -0.91252307
+H      2.82972979      2.10218453      0.00220624
+H      5.45556357      1.30778057      0.01556156
+H      2.77411075     -2.14025198      0.00195740 
+
+12
+-1261.248888637855 11.454739 12.28426 -8.7682 -6.9101 -9.508 1.3049 -0.1788 -0.011 8.83707 0.58687 4.3564216904 11.383216653 0.432235658
+C      1.00475230     -0.00739379     -0.00765104
+N      2.45731187      0.04346792      0.00131675
+C      3.25134418      1.15116490      0.00388543
+C      4.55619439      0.67672275      0.01074701
+Cl      6.00509336      1.63164635      0.01745321
+C      4.45155074     -0.72844786      0.01155822
+N      3.16559316     -1.10978615      0.00586703
+H      0.61495382      1.01590710     -0.00028229
+H      0.64492593     -0.54276392      0.88024299
+H      0.65417380     -0.52641525     -0.90897816
+H      2.85515406      2.16038608      0.00101253
+H      5.24837238     -1.46578813      0.01647832 
+
+12
+-1277.7993853057344 12.273377 12.04357 -8.0804 -6.4199 -9.062 0.4286 -1.1292 -0.698 8.34395 1.4036 3.845115825 10.6729380548 0.303950601
+C      0.85373036     -0.12515862     -0.05451202
+N      2.29262940      0.00321524      0.10519953
+S      3.08736325      1.51285903     -0.20663538
+C      4.79193321      0.66428715     -0.14816119
+O      5.82432902      1.28841854     -0.28884522
+C      4.50187462     -0.72038710      0.09465950
+C      3.16828127     -1.02542396      0.19822234
+H      0.33874109      0.63729920      0.54466053
+H      0.55407097     -1.11691254      0.30803859
+H      0.55345838     -0.02006406     -1.10880784
+H      5.30465563     -1.44553609      0.19367876
+H      2.75547281     -2.02157679      0.35813241 
+
+15
+-1488.1099799648587 13.551081 13.90979 -7.7336 -5.9847 -8.601 0.7552 -0.2867 0.031 7.70203 0.75088 3.2171143364 10.7957337892 0.812266247
+C      1.12173946     -0.03462447      0.17742402
+N      2.49770228      0.01345050     -0.26850193
+C      3.27019106      1.25392670     -0.18937597
+C      4.63718192      0.80756696     -0.72605558
+N      4.62802328     -0.60650653     -0.34590728
+C      3.33184223     -1.08076172     -0.25948434
+S      2.89783327     -2.69317033     -0.15847672
+H      0.77850129     -1.07296466      0.08559250
+H      0.49876970      0.62152045     -0.44717770
+H      1.03047744      0.28198144      1.23193059
+H      3.33896465      1.60217492      0.85976124
+H      2.81153108      2.04929994     -0.79384929
+H      4.69109038      0.93605265     -1.82231546
+H      5.47057275      1.34955294     -0.26022400
+H      5.31634920     -1.25512881     -0.71705010 
+
+14
+-1329.368745202345 10.49669 11.82965 -9.5338 -7.6081 -10.491 0.7391 -0.1898 0.28 10.15133 0.17839 5.4836404094 11.5087648766 0.110863976
+C      0.93347754      0.05082231      0.03486414
+N      2.38996066      0.01453032      0.09325345
+C      3.11590665      1.01021084      0.92668428
+C      4.26856954      0.07434223      1.34047074
+S      3.17884904     -1.31746241      0.87349381
+O      2.42136247     -1.80794422      2.03573749
+O      3.72885470     -2.27224929     -0.08666974
+H      0.57569503     -0.80129570     -0.55703292
+H      0.62918751      0.97096958     -0.48257171
+H      0.46532299      0.02001777      1.03475661
+H      2.53057305      1.34296787      1.80111085
+H      3.42891677      1.87812747      0.33048581
+H      5.14347700      0.10491744      0.68281573
+H      4.54249705      0.05858580      2.39875145 
+
+13
+-1342.1961490063945 12.606068 12.63326 -7.4966 -5.7062 -8.461 0.6919 -0.2294 0.581 7.8679 -0.00282000000001 4.7568716732 10.8376038614 0.257377706
+C      0.99844320      0.01852115     -0.00905003
+N      2.44973195     -0.02706268     -0.00142072
+C      3.27094568      1.09670126      0.00479053
+C      4.59249889      0.82175039      0.01111678
+S      4.88549450     -0.91203174      0.00929498
+C      3.12150314     -1.25677536     -0.00121921
+N      2.66564242     -2.45738129     -0.00699924
+H      0.67436841      1.06461412     -0.00032238
+H      0.58623943     -0.48414511      0.87983471
+H      0.59518965     -0.46690835     -0.91159011
+H      2.81195981      2.08216372      0.00420008
+H      5.41243112      1.53045797      0.01679025
+H      1.64109179     -2.48461408     -0.01321564 
+
+12
+-1294.8493351665493 11.622017 11.89532 -8.1427 -6.3031 -9.014 1.2819 -0.2856 0.059 8.55826 0.66023 4.4338509474 11.0140855338 0.195871428
+C      0.98376521      0.01945872     -0.00885538
+N      2.44282278     -0.02510279      0.00027907
+C      3.27330288      1.08803895      0.00309903
+C      4.59477456      0.80095863      0.00942316
+S      4.87490519     -0.92876429      0.01179860
+C      3.08514102     -1.25939641      0.00324230
+O      2.54333212     -2.35295174      0.00060398
+H      0.66175611      1.06571654      0.00814401
+H      0.58458983     -0.50343735      0.87016491
+H      0.59464791     -0.47132165     -0.91085557
+H      2.82400873      2.07756728      0.00058409
+H      5.41737367      1.50714410      0.01314181 
+
+14
+-1316.151079490824 10.709827 11.75757 -9.3583 -7.3969 -10.184 0.7482 -0.2453 -0.046 9.837 0.35438 5.0120596584 10.288234294 0.078224599
+C      1.01426242     -0.03255477      0.62169361
+N      2.33727036      0.02703557     -0.02295955
+C      3.17353472      1.13911248      0.43452330
+S      4.11370224     -0.02515653      1.58025592
+O      3.44708629     -0.10812999      2.89368557
+O      5.57983463      0.00843259      1.47069829
+C      3.21586326     -1.09514846      0.31492661
+H      0.47779837     -0.90958655      0.23750414
+H      0.44411186      0.85948305      0.33220754
+H      1.06487525     -0.09066826      1.72393529
+H      2.63931510      1.96547569      0.91785252
+H      3.88078663      1.49164630     -0.32887563
+H      3.93433905     -1.33710758     -0.48032620
+H      2.71427981     -1.98800356      0.70600858 
+
+13
+-1331.2286986635797 12.934425 12.64051 -7.5504 -5.8507 -8.902 0.6798 -0.9696 -0.181 8.09727 0.66286 4.7402699478 8.1604857508 0.239733394
+C      0.87971096     -0.03961981     -0.00688503
+N      2.32644647      0.00784116      0.05640114
+S      3.17802111      1.51871745     -0.01279538
+C      4.68819318      0.65639545     -0.02871358
+C      4.53542522     -0.68745781     -0.00476587
+C      3.14681224     -1.13278126      0.02008370
+N      2.76425887     -2.37244907      0.01076344
+H      0.47741962      0.97911853      0.03453504
+H      0.47562119     -0.60078690      0.85043551
+H      0.53653376     -0.51267084     -0.94177454
+H      5.60982333      1.23238219     -0.05071978
+H      5.35165501     -1.40483060     -0.01284676
+H      1.74210905     -2.46407849      0.02084212 
+
+12
+-1282.3908360479766 11.788679 11.85508 -8.2449 -6.5203 -9.884 0.3488 -1.2332 -0.673 9.13037 1.17308 4.1307671704 11.593124951 0.229373619
+C      0.87683388     -0.03416376     -0.05696464
+N      2.32898610      0.01357079     -0.05416349
+S      3.18639886      1.47219249     -0.36049761
+C      4.69463266      0.63230543     -0.16817805
+C      4.53921418     -0.68314539      0.11261167
+C      3.14242689     -1.11500721      0.19357300
+O      2.67655668     -2.23115595      0.42844365
+H      0.45375160      0.62096964      0.71780423
+H      0.61472370     -1.07664869      0.16590322
+H      0.46899186      0.24229086     -1.03948320
+H      5.61438338      1.20054758     -0.28229139
+H      5.35136024     -1.38770579      0.27035260 
+
+14
+-1467.6144590891881 13.340176 13.39277 -7.343 -5.5196 -7.665 0.8526 -0.0777 0.408 7.10302 0.20028 3.9829510612 6.2076938522 0.365452061
+C      2.85135488     -1.26233791      0.40664390
+N      2.29586341     -0.01433315     -0.09574426
+C      3.04673078      1.15339835     -0.01251435
+C      2.63174437      2.45748331     -0.21893953
+C      3.69227932      3.39922353     -0.09908765
+C      4.90595402      2.82960795      0.19278997
+S      4.76627827      1.10016293      0.34729142
+H      2.11003399     -2.05959493      0.27413630
+H      3.14220819     -1.21688415      1.47364167
+H      3.74116491     -1.53398280     -0.18116334
+H      1.32005881      0.13215549      0.15484203
+H      1.60318525      2.72075496     -0.46349407
+H      3.55901952      4.47211941     -0.23544801
+H      5.87727429      3.29660702      0.31922590 
+
+13
+-1329.8604910893591 13.180659 12.78156 -7.8031 -6.0368 -8.595 0.7108 -0.8027 -0.154 8.00319 0.76936 4.3779704572 4.4767129076 0.307087269
+C      0.98083777     -0.12238406      0.01640451
+N      2.42670864     -0.13799589     -0.01869429
+C      3.03284155      0.98616523     -0.03376996
+S      2.20338942      2.63985629     -0.07699171
+N      3.74823682      3.45918320     -0.17575142
+C      4.79191066      2.55535821     -0.06153987
+C      4.45728030      1.24180576     -0.05412502
+H      0.59492170     -1.11819993      0.27222468
+H      0.56347357      0.15891371     -0.96879992
+H      0.59100682      0.60195762      0.76265220
+H      3.79784852      4.30574994      0.39285688
+H      5.80088921      2.96461390     -0.02344064
+H      5.16849503      0.42041603     -0.05830544 
+
+14
+-1468.399323049245 13.321738 13.52599 -7.425 -5.6363 -7.971 1.1974 -0.2916 0.29 7.3432 0.24058 4.1833124372 5.8541105774 0.347038294
+C      2.95611896     -1.17253234      0.48958514
+N      2.37465612      0.02400445     -0.10550920
+C      3.07360921      1.23441089     -0.03823810
+C      2.48725851      2.48415022     -0.16969624
+S      3.66325474      3.75577757     -0.12594655
+C      4.95241451      2.62761044      0.08267676
+C      4.49757804      1.33068873      0.11281347
+H      2.22589702     -1.98846213      0.41829629
+H      3.24399921     -1.04862076      1.55104322
+H      3.84700457     -1.48471333     -0.07529377
+H      1.38528690      0.13194782      0.10141099
+H      1.43645077      2.72277672     -0.30586927
+H      5.97411966      2.98355604      0.17461765
+H      5.15833178      0.47489568      0.23809962 
+
+13
+-1349.5754268738451 12.590574 12.76295 -7.8347 -6.1081 -9.063 0.8449 -0.7372 -0.143 8.32546 0.65789 4.754677121 10.4710144552 0.283219449
+C      3.13738971     -1.21170622      0.39619347
+N      2.54880764     -0.03048838     -0.21552755
+C      3.16648539      1.20366488     -0.12390051
+N      2.43412883      2.30860755     -0.29398970
+S      3.44715905      3.64465529     -0.21892679
+C      4.87993401      2.73669240      0.06752973
+C      4.57244994      1.39814250      0.09693464
+H      2.46706833     -2.06315103      0.22766554
+H      3.30732707     -1.10834498      1.48366489
+H      4.09661879     -1.45416109     -0.08422557
+H      1.53507865      0.03877026     -0.16616282
+H      5.85068632      3.20910588      0.19484647
+H      5.29866628      0.60503293      0.25964820 
+
+13
+-1343.6004530689324 12.580272 12.54805 -7.6313 -5.8769 -7.865 1.1468 -0.4265 0.042 7.40047 0.68579 3.7841891046 3.7841891046 0.188443415
+C      2.85548937     -1.27472868      0.48223243
+N      2.35342867     -0.04326139     -0.11359099
+C      3.09968885      1.12194864     -0.02820480
+C      2.68687709      2.43161236     -0.21211388
+N      3.66556238      3.38865161     -0.13096165
+C      4.83195766      2.86041354      0.11481574
+S      4.82636296      1.10496878      0.27779566
+H      2.10807788     -2.06509378      0.34311973
+H      3.08038901     -1.17866368      1.56070273
+H      3.77348068     -1.58957663     -0.03591881
+H      1.36038272      0.11812376      0.04052526
+H      1.65794427      2.72573645     -0.41827735
+H      5.76492846      3.40956902      0.22162594 
+
+13
+-1342.1567377167116 12.484407 12.67345 -7.8258 -6.0377 -8.574 0.6866 -0.9078 -0.337 8.04852 0.88729 4.1741994662 10.5683558638 0.328732424
+C      2.95044374     -1.17766716      0.47362922
+N      2.35619426      0.03104385     -0.08499495
+C      3.06181384      1.23253879     -0.01951875
+C      2.52344242      2.50302039     -0.18134463
+S      3.78763052      3.66888611     -0.10109919
+N      5.01255195      2.55678106      0.14620954
+C      4.47987205      1.33922806      0.16585799
+H      2.22019931     -1.99261136      0.39966480
+H      3.25712003     -1.07350466      1.53142130
+H      3.83118546     -1.47480721     -0.11450956
+H      1.36734898      0.13207769      0.12689766
+H      1.48665117      2.78374975     -0.34739699
+H      5.15056627      0.49271468      0.32086357 
+
+13
+-1348.8044045223032 12.585558 12.83434 -7.6135 -5.8068 -8.032 0.8873 -0.7199 -0.092 7.42314 0.73317 3.8239390162 11.5431957888 0.290683276
+C      2.89207621     -1.13414837      0.49873621
+N      2.31642400      0.06284898     -0.10877350
+C      3.00862295      1.26560477     -0.03812664
+C      2.45813191      2.53227686     -0.17227452
+S      3.71231384      3.72371174     -0.12007856
+C      4.87335971      2.45026526      0.09599289
+N      4.37800763      1.23720872      0.12080323
+H      2.24129978     -1.98680851      0.26793062
+H      3.01002574     -1.05734822      1.59471217
+H      3.88079727     -1.32233009      0.06465885
+H      1.31702978      0.16643632      0.04284182
+H      1.42048982      2.81900968     -0.30946723
+H      5.93226136      2.67796286      0.20233467 
+
+13
+-1351.935643009444 12.578371 12.65646 -7.7999 -5.9638 -8.188 1.2648 -0.1879 0.269 7.66933 0.39477 4.1754517248 11.095879098 0.309735133
+C      3.02280716     -1.30130730      0.49685800
+N      2.48124437     -0.07568888     -0.06206911
+C      3.17622513      1.10561719     -0.01075818
+N      2.64139216      2.28235648     -0.24405808
+C      3.60135319      3.26553963     -0.17588721
+C      4.87714848      2.86849613      0.11566495
+S      4.91777721      1.13570521      0.33386699
+H      2.31023859     -2.11515858      0.32054529
+H      3.22540152     -1.23149840      1.58096131
+H      3.96066983     -1.56467938     -0.01542234
+H      1.47393212      0.05913598     -0.01383831
+H      3.30850675      4.30005626     -0.35317549
+H      5.78036348      3.46098566      0.21817219 
+
+13
+-1340.2962717000512 12.868827 12.94832 -7.4863 -5.6795 -8.498 0.6394 -0.2892 0.588 7.95601 0.01866 4.8551553754 10.2772987288 0.282411029
+C      0.90522815      0.00181542     -0.00136369
+N      2.35100156     -0.13505064      0.00486944
+C      3.03803413      0.94377646      0.00706205
+N      2.61825714      2.27770889      0.00427861
+C      3.62225587      3.23809173      0.00730967
+C      4.86827781      2.71873151      0.01292467
+S      4.83807093      0.95709079      0.01459722
+H      0.44541478     -0.99520824     -0.00768908
+H      0.53140909      0.54091254     -0.89542328
+H      0.52360701      0.53322966      0.89392639
+H      1.63011156      2.50672543      0.00010982
+H      3.35277585      4.29104124      0.00510848
+H      5.80726612      3.26021522      0.01622969 
+
+15
+-1472.113958685981 15.109081 14.35248 -7.9014 -6.227 -8.65 0.3026 -1.1478 -0.395 7.65727 1.19298 2.9674933226 10.856338146 0.38004385
+C      1.04050585     -0.11854219      0.10061357
+N      2.47848694      0.13066679      0.17501475
+C      3.33838904     -0.97338333      0.11488813
+C      2.96826779     -2.26453928      0.20170313
+C      2.95837397      1.42823917      0.29213555
+N      4.30293154      1.52815120      0.58959337
+S      2.03743899      2.81104265      0.04090529
+H      0.53673977      0.84970766      0.02127751
+H      0.69953817     -0.64612167      1.00418410
+H      0.82041574     -0.73363886     -0.78275724
+H      4.37847094     -0.71568193     -0.08317024
+H      1.94289773     -2.58400890      0.37747856
+H      3.72483218     -3.03761064      0.08536524
+H      4.70273473      0.84863676      1.23503158
+H      4.58436660      2.49025257      0.75722671 
+
+16
+-1467.7200187980595 11.114806 12.434 -9.6113 -7.6361 -10.408 0.6637 -0.3075 0.061 9.88532 0.27925 5.2043495458 10.9911357252 0.192019193
+C      0.92914493     -0.04690240     -0.04861790
+N      2.38239907      0.07633387     -0.17093297
+C      2.99542971     -0.77979782     -1.18748531
+S      3.01537525      1.63727272     -0.02670643
+C      2.51474139      2.53209310     -1.50973258
+O      2.32745522      2.26391972      1.10396573
+O      4.47265284      1.50332759     -0.07921518
+H      0.57258983      0.62748690      0.73678370
+H      0.69452442     -1.07984501      0.24558182
+H      0.40020511      0.17105799     -0.99632344
+H      2.80340793     -1.82779234     -0.91655346
+H      4.07791985     -0.61574729     -1.19536158
+H      2.58370830     -0.60363775     -2.19984113
+H      2.93839037      2.03409436     -2.38927397
+H      2.92778472      3.54268565     -1.41157382
+H      1.42038106      2.57314070     -1.55168347 
+
+16
+-1465.4287003130414 11.43604 12.7738 -9.4477 -7.3371 -10.235 0.6989 -0.278 0.12 9.91688 0.21556 5.2903834312 11.3109452136 0.074366478
+C      1.54579203      0.06019422      1.02829596
+N      2.96262945      0.31821106      0.76089781
+C      3.20988291      1.64183993      0.23948392
+S      5.00469724      1.91547025      0.04924491
+C      5.61420595      1.85315696      1.74048449
+O      5.53988694      0.74181241     -0.66720543
+O      5.18928600      3.27760072     -0.47574298
+H      1.43013038     -0.97543434      1.37382886
+H      0.88404353      0.21298244      0.15258899
+H      1.19769588      0.72216394      1.83532694
+H      3.33519590     -0.36900595      0.10028881
+H      2.84190108      2.41363512      0.93241092
+H      2.81497307      1.86390172     -0.77425893
+H      5.26247666      2.74268497      2.27465459
+H      6.70768748      1.85193023      1.66248231
+H      5.24831548      0.92560633      2.19503884 
+
+15
+-1455.9580626755453 13.642118 13.98626 -7.7831 -6.0532 -8.627 0.7932 -0.6503 -0.049 7.73296 0.84833 3.1422143938 10.874564088 0.338371183
+C      2.84891537     -1.06037533      0.13762374
+N      2.52326444      0.24946886     -0.40529890
+C      3.11542007      1.42315587     -0.05904089
+S      2.58060081      2.90388936     -0.64052677
+N      4.15882680      1.26317113      0.86649725
+C      5.50044445      0.84140717      0.41141237
+C      5.24451969      2.22433507      0.92399870
+H      2.00294871     -1.73407404     -0.04100347
+H      3.02581681     -0.98646761      1.21919397
+H      3.74574436     -1.49740467     -0.33198985
+H      1.74289200      0.34763525     -1.04757091
+H      5.64136560      0.73418120     -0.66739498
+H      6.00098711      0.09796145      1.03628746
+H      5.56655622      2.48961275      1.93261124
+H      5.19751758      3.04050352      0.19805104 
+
+17
+-1601.3737578525197 14.335872 14.63717 -7.5531 -5.8417 -8.552 0.8878 -0.5285 -0.105 7.66267 0.9019 3.0357724128 10.854230384 0.675846728
+C      3.83428269     -0.71802476      1.37830431
+N      3.76307533     -0.24068780     -0.01162269
+C      4.19653903      1.04471204     -0.34128305
+S      3.17026261      2.10249582     -1.16059012
+N      5.47913198      1.35236066      0.02301356
+C      6.51273846      0.32997082      0.17573395
+C      5.97952454      2.71354832     -0.12525699
+H      3.30027917     -1.67419652      1.43613306
+H      3.37072480     -0.00865657      2.08505132
+H      4.86880368     -0.89824034      1.69464891
+H      2.82918057     -0.35437773     -0.40470679
+H      6.11793395     -0.64522290     -0.12830266
+H      6.88546092      0.27346935      1.21198363
+H      7.36212165      0.57960790     -0.47970284
+H      5.15216310      3.41906111      0.00145192
+H      6.41628757      2.87173207     -1.12581134
+H      6.75179995      2.88997852      0.63703582 
+
+15
+-1473.3098842661009 15.347527 14.84772 -7.8179 -6.1524 -8.696 0.4802 -0.9856 -0.291 7.704 1.07003 3.1387799816 10.7511608222 0.553691148
+C      2.27442179     -1.12069908     -1.08376861
+N      3.40005242     -0.62959682     -0.30128662
+C      3.57626618      0.69781692     -0.04375449
+S      2.58226447      1.91197156     -0.64501667
+N      4.65890925      1.01912234      0.75557132
+C      5.71109628      0.19924819      1.15189516
+C      6.64398033      0.53323663      2.06078291
+H      2.41554172     -2.19609469     -1.24873833
+H      2.24477216     -0.60183497     -2.04948418
+H      1.31388848     -0.94429705     -0.57487735
+H      3.82883234     -1.29318504      0.33881623
+H      4.68689225      2.00741165      1.00034372
+H      5.77043371     -0.75520593      0.62487239
+H      6.61937000      1.48404578      2.59523067
+H      7.46560864     -0.14744949      2.26958385 
+
+14
+-1323.752518020582 10.953576 12.12874 -10.1251 -8.1436 -10.646 0.6326 -1.1216 -0.286 9.95069 0.90194 5.5385910046 6.699335538 0.308249846
+C      4.26715926     -1.14411033      0.53112677
+N      3.71020576     -0.08982198     -0.32992206
+S      3.51874254      1.44567351      0.34651515
+O      2.35983603      2.04403976     -0.32643103
+O      3.60775877      1.38618018      1.81116830
+C      4.97946186      2.30778028     -0.18803028
+C      5.82912811      1.85629791     -1.10986962
+H      4.33832735     -2.06120851     -0.06746520
+H      3.66401018     -1.33417903      1.43051004
+H      5.28044140     -0.86072685      0.84153189
+H      2.81794895     -0.32523364     -0.77000202
+H      5.08962852      3.25573606      0.34248012
+H      5.66484318      0.89730834     -1.60226942
+H      6.70453808      2.44392429     -1.38947265 
+
+12
+-1158.5205873921286 10.619061 12.16743 -10.1983 -8.1666 -10.903 0.9187 -0.9194 -0.832 10.20219 1.34507 4.4639547482 11.0357086922 0.240557473
+C      1.45837415     -0.17415857      0.28667184
+N      2.20233828      0.43764872     -0.82107787
+S      2.89006690      1.94345899     -0.58888712
+O      2.99852202      2.55257870     -1.91136316
+O      2.28250746      2.62860674      0.54920601
+C      4.47841744      1.49733677     -0.07911921
+C      5.60884017      1.26099803      0.29543476
+H      1.13010724     -1.16795062     -0.04195788
+H      0.58924348      0.41912457      0.60434989
+H      2.13092589     -0.30658801      1.14387145
+H      1.74274304      0.43616848     -1.73324361
+H      6.60674394      1.04296622      0.62072492 
+
+13
+-1393.7679840294975 12.422026 12.67914 -7.8781 -6.0327 -8.13 1.3392 -0.1555 0.211 7.62553 0.35409 4.2017739526 6.3222693148 0.40125294
+C      2.99141389     -1.22032027      0.53074775
+O      2.29570396      0.00456401      0.27779457
+C      3.05375369      1.12581459      0.19000441
+C      2.56261183      2.39029082     -0.04710506
+C      3.59490275      3.36975798     -0.08625000
+C      4.85187365      2.85820524      0.11794560
+S      4.80611927      1.13616333      0.36777293
+H      2.22529548     -2.00202804      0.56744982
+H      3.52380103     -1.17675943      1.49505159
+H      3.70668231     -1.43929833     -0.27899036
+H      1.50216697      2.59007002     -0.18534828
+H      3.40959208      4.42878735     -0.26180823
+H      5.80921311      3.36909272      0.14056526 
+
+12
+-1269.9536778931044 11.589612 11.83299 -8.6974 -6.9128 -9.109 0.8875 -0.6978 -0.378 8.42418 0.96673 4.470439216 9.920429825 0.606173894
+C      3.09289483     -1.18583855      0.53661445
+O      2.35396193      0.01756640      0.27067440
+C      3.08159586      1.14919902      0.19796718
+C      2.57309325      2.41181478     -0.04864703
+C      3.61904713      3.36318884     -0.05576822
+N      4.86348163      2.94289286      0.16104587
+S      4.81999995      1.27498270      0.39746267
+H      2.35624031     -1.99504276      0.56177137
+H      3.60561579     -1.11658694      1.50901468
+H      3.82652716     -1.37268588     -0.26344725
+H      1.51852873      2.62084157     -0.21107331
+H      3.47307343      4.43172797     -0.22912482 
+
+13
+-1395.2989069145367 12.415785 12.78533 -7.9974 -6.1876 -8.329 1.0715 -0.4651 0.127 7.75729 0.41133 4.3251772184 6.1732257442 0.367243063
+C      3.03824628     -1.16651209      0.52148932
+O      2.29763719      0.03187408      0.28269805
+C      3.02899508      1.18126042      0.14412992
+C      2.39492677      2.38691044     -0.08878251
+S      3.53919821      3.67437695     -0.22360887
+C      4.86903081      2.60355275      0.03120506
+C      4.45317336      1.30460035      0.21343208
+H      2.29380981     -1.96628974      0.60329132
+H      3.61136421     -1.10540127      1.46145194
+H      3.72249319     -1.39041475     -0.31361645
+H      1.32993804      2.56890533     -0.18445980
+H      5.88304391      2.99136298      0.03244522
+H      5.14037314      0.47999455      0.38862470 
+
+12
+-1274.3464622139843 11.630696 11.97369 -8.5391 -6.8382 -9.59 0.6666 -0.9894 -0.378 8.90018 0.8762 4.9298941362 10.4688694974 0.350904322
+C      3.13489607     -1.18329796      0.53326434
+O      2.36464046     -0.00873020      0.25544237
+C      3.05767090      1.14986585      0.10995163
+N      2.33821122      2.23564358     -0.14783389
+S      3.38062470      3.53511915     -0.28773009
+C      4.81393631      2.62924695      0.00122686
+C      4.47889712      1.31141378      0.20708230
+H      2.40935931     -1.99966099      0.61493678
+H      3.68382348     -1.08693454      1.48364988
+H      3.84004928     -1.40263911     -0.28434409
+H      5.80006993      3.08664046      0.00681680
+H      5.19589122      0.52069304      0.41183712 
+
+12
+-1269.0302180632336 11.672027 11.84034 -8.3281 -6.4432 -8.41 0.9626 -0.6336 -0.175 7.98595 0.85234 4.0250691054 10.066051382 0.402272782
+C      3.02615589     -1.23308035      0.55216830
+O      2.34305010     -0.00609990      0.26508451
+C      3.10481775      1.10583739      0.16705282
+C      2.63143978      2.37259654     -0.10262248
+N      3.58306780      3.35804577     -0.15730235
+C      4.77881543      2.88460947      0.06349033
+S      4.85336007      1.15299903      0.36481911
+H      2.25294519     -2.00761860      0.59173043
+H      3.54310641     -1.17284063      1.52333911
+H      3.75093470     -1.47048232     -0.24305503
+H      1.58106278      2.60567261     -0.26580355
+H      5.69547410      3.47081097      0.07222879 
+
+12
+-1268.5859518832324 11.593101 11.9428 -8.4531 -6.6995 -9.18 0.5606 -1.0997 -0.511 8.58617 1.06606 4.466657643 10.5675623534 0.379355939
+C      3.08212193     -1.11449188      0.52533215
+O      2.32797709      0.07911389      0.28392433
+C      3.05226775      1.22685104      0.14232544
+C      2.44173408      2.44730410     -0.09463435
+S      3.65864223      3.65101462     -0.21454828
+N      4.94775816      2.61200783      0.03530726
+C      4.47182669      1.38115561      0.20607249
+H      2.34516543     -1.92019793      0.61045469
+H      3.65506775     -1.04246385      1.46402515
+H      3.76595037     -1.33144663     -0.31127505
+H      1.38065352      2.65382492     -0.19464078
+H      5.18652499      0.57686828      0.38178695 
+
+12
+-1276.7963269192633 11.657216 12.07891 -8.2239 -6.4093 -8.5 0.7279 -0.9318 -0.281 7.95527 0.9234 4.0264949444 6.3537121644 0.211690859
+C      3.04930113     -1.10429928      0.54423080
+O      2.28373333      0.08464292      0.27234060
+C      2.99255898      1.23294064      0.14679810
+C      2.38385659      2.44662497     -0.11434570
+S      3.59379429      3.67481239     -0.20587965
+C      4.80885724      2.47521025      0.11029346
+N      4.35642762      1.25307538      0.27254729
+H      2.31034219     -1.91014700      0.60964604
+H      3.59833361     -1.01124212      1.49184130
+H      3.76446553     -1.30618769     -0.26560384
+H      1.33019393      2.66188076     -0.25017136
+H      5.86027556      2.74961878      0.16366295 
+
+12
+-1275.9402802686652 11.62149 11.87618 -8.5145 -6.6159 -8.667 1.1164 -0.457 -0.016 8.19276 0.64747 4.3447298106 11.214037756 0.282627626
+C      3.09761658     -1.26677941      0.53836388
+O      2.37601172     -0.05941920      0.25851675
+C      3.10409005      1.06767954      0.16232506
+N      2.55348915      2.22114464     -0.08801158
+C      3.51303284      3.20554708     -0.13433497
+C      4.80818295      2.81878314      0.07971550
+S      4.87189383      1.10202901      0.36387031
+H      2.34542524     -2.06096666      0.57852528
+H      3.61634968     -1.19596410      1.50758634
+H      3.82396201     -1.48198563     -0.26139159
+H      3.20452376      4.23078060     -0.33573026
+H      5.71470218      3.41588099      0.08957529 
+
+15
+-1392.0032866204765 10.714315 11.87597 -9.6908 -7.7137 -10.315 0.7916 -0.1861 -0.187 9.77888 0.55912 5.1466340628 12.0833903922 0.15651948
+C      3.40697974      2.17006370      2.19795712
+O      4.23720668      1.17403958      1.56875110
+C      4.19998738      1.19084009      0.17600865
+S      5.36210583      2.40723800     -0.59967865
+C      6.96408097      1.85084178      0.00735009
+O      5.29828049      2.17957872     -2.05425697
+O      5.10515238      3.73959472     -0.02000828
+H      3.46274215      1.97018265      3.27416547
+H      2.36235838      2.06486334      1.85974772
+H      3.76667430      3.18560034      1.98167426
+H      3.21662086      1.46350368     -0.24814150
+H      4.51284279      0.20734224     -0.20296470
+H      6.92525107      1.81724347      1.10169689
+H      7.68716318      2.60037489     -0.33474211
+H      7.18641380      0.86958280     -0.42578907 
+
+13
+-1256.0670156991212 10.433829 11.65945 -10.5192 -8.5704 -10.975 0.322 -1.4768 -0.274 10.21771 0.89056 5.4630339362 6.9290072044 0.355997724
+C      1.20045127     -0.32064166      0.19584468
+O      2.62678715     -0.07142089      0.07245764
+S      2.99824402      1.50145614     -0.27827840
+O      2.69478828      1.76868568     -1.68427380
+O      2.44703202      2.35792818      0.77510531
+C      4.74746854      1.33963525     -0.03512398
+C      5.58224367      1.54062570     -1.05288943
+H      1.12315092     -1.37501493      0.47944736
+H      0.69613841     -0.15061610     -0.76519880
+H      0.76594569      0.31612822      0.97800763
+H      5.03439301      1.14099286      0.99767564
+H      5.19974392      1.74879100     -2.05312744
+H      6.66178309      1.50590057     -0.90305643 
+
+11
+-1088.005058220742 10.041267 11.62972 -10.8521 -8.8532 -11.235 0.5822 -1.3025 -0.982 10.48546 1.46989 4.4327102762 11.1301488284 0.493328189
+C      1.15993979     -0.11962042      0.00696066
+O      2.58890415      0.16752070      0.01637119
+S      2.93310555      1.77078615     -0.02259598
+O      2.53409071      2.32909012     -1.30899997
+O      2.50749209      2.39645947      1.22363731
+C      4.63683659      1.57163611      0.00050654
+C      5.84935211      1.57731316      0.01065008
+H      1.10050024     -1.21171076      0.03526755
+H      0.69922154      0.26246125     -0.91330845
+H      0.67761724      0.31049445      0.89437701
+H      6.92175000      1.56318978      0.02027407 
+
+15
+-1452.9548350166212 11.086834 12.58909 -10.2168 -8.3079 -10.29 0.7213 -0.2138 0.043 9.93936 0.36038 5.2759886566 10.9727857972 0.127035593
+C      3.95970278     -1.16976895     -0.47173333
+S      2.77359553      0.01201246      0.18922775
+O      1.70654095      0.18315222     -0.81350845
+O      2.46218779     -0.39453309      1.56835212
+C      3.71644352      1.53224818      0.25699757
+C      3.89889739      2.34163356     -1.00359711
+C      2.94781775      2.81600492      0.06146498
+H      4.80006336     -1.25338194      0.22637807
+H      4.28291954     -0.83622572     -1.46343569
+H      3.42269217     -2.12338610     -0.53915694
+H      4.50461125      1.49145252      1.00967502
+H      3.45156630      1.94571534     -1.91602793
+H      4.85505221      2.85040901     -1.12695551
+H      3.23287636      3.65391392      0.69633036
+H      1.88264309      2.72207367     -0.15043093 
+
+14
+-1316.14438803723 10.676755 11.94407 -9.8607 -7.889 -10.249 0.6068 -0.4266 -0.195 9.91037 0.61032 5.0924273836 10.7702794634 0.130931844
+C      1.17105708      0.15309356      0.12988010
+S      2.91879318     -0.08791719     -0.23379930
+O      3.45343313     -1.05181192      0.73839498
+O      3.05139319     -0.29713455     -1.68410860
+C      3.59429124      1.55663753      0.14962652
+C      4.10121336      1.87022053      1.51074984
+N      5.02903973      1.55482663      0.40882696
+H      0.76571657      0.92160579     -0.53773616
+H      1.05933068      0.42233821      1.18583360
+H      0.69558344     -0.81423792     -0.07212053
+H      3.14015900      2.33407828     -0.47161562
+H      4.05629476      1.09635674      2.27991417
+H      3.99719912      2.90321725      1.85283854
+H      5.45227550      2.39875707      0.01211550 
+
+13
+-1245.6963571852311 10.006135 11.2569 -10.2833 -8.3065 -10.402 0.58 -0.3888 -0.532 10.065 0.93922 4.9638167058 10.8619671104 0.099560167
+C      1.14392211      0.20814785      0.08516971
+S      2.87886328     -0.17971806     -0.20504591
+O      3.33923453     -1.07119473      0.86945184
+O      3.03286178     -0.53169469     -1.62387566
+C      3.65520462      1.46233177      0.04383072
+C      4.17959151      1.80911486      1.37304698
+O      5.04691491      1.42163668      0.28080360
+H      0.81389481      0.95274139     -0.64793492
+H      1.02012025      0.55735540      1.11597243
+H      0.60775695     -0.73639817     -0.06801323
+H      3.29041875      2.20981802     -0.67075108
+H      4.10380880      1.06927658      2.17449399
+H      4.23722771      2.86394310      1.65749153 
+
+15
+-1454.0831935937229 11.792111 12.80435 -9.8819 -7.8814 -10.169 0.8681 -0.8125 -0.213 9.67718 0.55205 5.1800606884 6.7715697816 0.300539555
+C      3.66545153     -0.95014640     -1.63606456
+S      2.98448425     -0.40362045     -0.06169242
+O      1.51674896     -0.41797697     -0.17005793
+O      3.67748613     -1.13825632      1.01031737
+C      3.49848696      1.35308165      0.04194140
+C      4.97754723      1.52228213      0.13137153
+C      5.70987891      2.18538910     -0.77203057
+H      4.75050852     -0.80241806     -1.62632811
+H      3.18115689     -0.39331772     -2.44570954
+H      3.41967259     -2.01654499     -1.70113282
+H      2.98071346      1.67700330      0.95878630
+H      3.04859273      1.86386930     -0.82036435
+H      5.45750546      1.05893612      0.99786518
+H      5.25313488      2.65895159     -1.64474005
+H      6.78983148      2.28730771     -0.66088145 
+
+13
+-1292.5716707846238 11.471932 12.617 -10.1456 -8.0179 -10.141 0.7746 -0.4831 -0.227 9.8929 0.62069 4.3672580668 10.8585450968 0.385410159
+C      1.06838443      0.14144959     -0.00104412
+S      2.85554895     -0.09493922      0.00649025
+O      3.22860179     -0.69190355      1.29522551
+O      3.23727958     -0.70798415     -1.27211473
+C      3.44660248      1.66487705     -0.00253239
+C      4.88811066      1.72374816      0.00179053
+C      6.09970532      1.76102975      0.00554636
+H      0.77694118      0.66960413     -0.91549748
+H      0.77078009      0.68104493      0.90470533
+H      0.64720080     -0.87094278      0.00389577
+H      3.01308167      2.13101451      0.89477491
+H      3.01896198      2.11977526     -0.90839281
+H      7.17025107      1.78890632      0.00892286 
+
+14
+-1338.2968334869004 11.713114 12.63699 -8.9578 -7.0613 -9.601 0.7948 -0.5473 0.151 8.96806 0.46162 4.670180662 10.610039957 0.180782038
+C      3.27578566     -0.85991056     -1.65080011
+S      3.12671354     -0.09035391     -0.02561769
+O      1.70018792     -0.15378231      0.33704974
+O      4.16463016     -0.69750584      0.83064899
+C      3.54309668      1.59409603     -0.30229345
+C      4.71601334      2.06605722      0.18012096
+N      5.18829475      3.34424881      0.07340947
+H      4.31933814     -0.79657678     -1.97686216
+H      2.60182967     -0.34751270     -2.34653578
+H      2.96707094     -1.90454656     -1.52038707
+H      2.77389108      2.19614614     -0.78631402
+H      5.38041932      1.36203292      0.68820207
+H      4.55319124      4.08431099     -0.20891231
+H      5.93969756      3.62998657      0.69029137 
+
+12
+-1199.8512338328599 10.34093 11.47485 -11.0104 -9.0041 -10.641 0.7646 -0.9264 -0.764 10.10748 -0.42582 4.9849687174 9.4871855452 0.149399353
+C      1.10728669      0.08230891     -0.00567306
+S      2.89613791     -0.10920801     -0.02239029
+O      3.30970325     -0.70033825      1.25320589
+O      3.28838172     -0.67496076     -1.31610274
+C      3.43130425      1.67280619     -0.00926373
+C      4.87556269      1.77295718     -0.02008429
+N      6.03699402      1.87333477     -0.02858512
+H      0.79086848      0.61529572     -0.90883740
+H      0.80592739      0.59707824      0.91307093
+H      0.71574477     -0.94216164     -0.01269427
+H      3.01817862      2.12498302      0.90272548
+H      3.00338021      2.14275463     -0.90530139 
+
+13
+-1269.8225139553463 10.178501 11.20774 -10.319 -8.2195 -10.7 0.025 -1.9762 -1.359 11.09351 1.85692 3.5850179942 11.0520996414 0.082366557
+C      0.87205824     -0.01072404      0.04179282
+S      2.64902858     -0.25637766      0.13619702
+O      2.99363059     -0.59536322      1.52271292
+O      3.06113967     -1.10912660     -0.98928553
+C      3.31360692      1.42271599     -0.19112049
+C      3.03746352      1.83472430     -1.61862169
+O      2.18166650      2.64603271     -1.92100184
+H      0.61204154      0.39362637     -0.94232224
+H      0.56356495      0.65695983      0.85312830
+H      0.43909505     -1.00919113      0.17617416
+H      4.38958582      1.29428092     -0.00404528
+H      2.86394862      2.11196205      0.53356489
+H      3.65710000      1.32025049     -2.38923304 
+
+15
+-1402.7463918505696 10.645204 12.18027 -10.823 -8.4011 -10.39 0.7706 -0.2514 0.05 10.06038 0.28432 5.335179573 12.1484086506 0.097872259
+C      1.42311310     -0.38771821      1.04391383
+S      3.20914507     -0.27836741      0.84435154
+O      3.81651015     -0.31854615      2.18560162
+O      3.60693550     -1.24349607     -0.19475770
+C      3.43011987      1.39386152      0.17504387
+C      4.90804278      1.67601201     -0.06440687
+O      4.97540616      3.00841354     -0.59075000
+H      0.94398345     -0.27521748      0.06527169
+H      1.09312063      0.37562490      1.75688879
+H      1.24081281     -1.39155672      1.44605064
+H      3.01185805      2.09635420      0.90921806
+H      2.86516394      1.44501066     -0.76604940
+H      5.31550167      0.93921078     -0.77695999
+H      5.46093683      1.58883781      0.88603771
+H      5.91127999      3.21463661     -0.75386379 
+
+14
+-1321.0731145864413 10.549457 11.80751 -10.115 -8.1593 -10.564 0.8336 -0.0995 0.406 9.88737 -0.04128 5.639937161 10.5363426786 0.144512998
+C      1.11006264      0.01215686     -0.57536476
+S      2.61153850      0.26080647      0.36638213
+O      2.27147479      0.23905443      1.79962607
+O      3.66047179     -0.61353145     -0.16309511
+N      2.99487627      1.85604469     -0.17533256
+C      2.68776759      2.95402965      0.77380382
+C      4.08818181      2.48796307      0.60144883
+H      1.35651128      0.09599511     -1.63817881
+H      0.37366258      0.76144731     -0.26621372
+H      0.76228491     -0.99690191     -0.32660426
+H      2.19115575      2.67787941      1.70666441
+H      2.34551800      3.86735476      0.28464826
+H      4.79293589      3.04786237     -0.01453522
+H      4.52194821      1.91093924      1.42142092 
+
+14
+-1333.1922860768082 11.4903 12.57415 -8.9763 -6.9411 -9.464 0.8032 -0.2553 0.054 8.93645 0.31659 4.9013153632 6.1088894088 0.2819278
+C      1.94452552     -1.92145350      0.32480892
+S      1.86765615     -0.25329426     -0.32963035
+O      2.20322693      0.66805587      0.75792101
+O      2.55592699     -0.26279360     -1.62083690
+N      0.20931834     -0.03944817     -0.60643772
+C     -0.36603585     -0.14349924     -1.88201694
+C     -1.59952194      0.27401981     -2.19801219
+H      1.55323112     -2.61061405     -0.43099681
+H      1.35902561     -1.96078074      1.24892493
+H      3.00350906     -2.12492421      0.52310195
+H     -0.20365650      0.60581667      0.06723236
+H      0.29110015     -0.61603477     -2.61356149
+H     -2.25786015      0.75862061     -1.47561358
+H     -1.96985542      0.13558958     -3.21096318 
+
+13
+-1261.449732025867 10.699599 11.89168 -9.5972 -7.4522 -10.148 0.7999 -0.2571 -0.179 9.63742 -0.26648 5.3568027314 6.7022988034 0.440786128
+C      1.01511025     -1.22465381     -0.14243451
+S      2.35795409     -0.05174147     -0.14365871
+O      3.16108365     -0.19856333      1.06773688
+O      2.99105495     -0.00529435     -1.45957773
+O      1.37132823      1.30283947      0.02599589
+C      2.04452117      2.52435683      0.04908567
+C      1.36817059      3.66255633      0.19130236
+H      0.36600344     -1.00533285     -0.99550061
+H      0.48768200     -1.14243328      0.81268007
+H      1.48616699     -2.20820187     -0.24853754
+H      3.12918887      2.46638636     -0.05778672
+H      0.28393351      3.67973474      0.29444851
+H      1.91351225      4.60326724      0.20449644 
+
+12
+-1273.6854649751067 11.733729 12.45611 -8.0618 -6.1433 -8.297 0.7027 -0.235 0.565 7.79415 0.10553 3.7850074122 11.3667141164 0.66552577
+N      0.94794675     -0.22089356     -0.05918793
+C      2.34920309     -0.01341828     -0.01507625
+C      3.15631953      1.11031828      0.11740037
+C      4.49998936      0.65061383      0.07567166
+Cl      5.92388983      1.64551262      0.19858505
+C      4.50236863     -0.72493962     -0.07545110
+N      3.18050748     -1.10876430     -0.13121956
+H      0.49930969      0.39743338     -0.73667686
+H      0.50969794     -0.05669220      0.84976631
+H      2.82310158      2.13583377      0.23743467
+H      5.32104225     -1.43055090     -0.14563521
+H      2.83185385     -2.05241301     -0.26561115 
+
+11
+-1197.7427698628958 11.131227 11.78765 -7.8375 -5.9191 -8.291 0.7015 -0.2734 0.137 7.7985 0.49902 3.6264789126 11.138344303 0.502473037
+N      0.99169146     -0.06082791     -0.22180529
+C      2.36231776      0.10221588     -0.07428485
+C      3.18512674      1.19949834     -0.02046248
+C      4.51315955      0.65966130      0.02537571
+Cl      5.97744544      1.58603744      0.10596940
+C      4.42760586     -0.69961727      0.00153308
+O      3.08758908     -1.05629308     -0.06419265
+H      0.46201774      0.75480319      0.07653521
+H      0.64205150     -0.90752279      0.22558608
+H      2.90189473      2.24555435     -0.01232069
+H      5.14637016     -1.50727945      0.02500648 
+
+11
+-1169.3319328881505 13.579697 13.89741 -7.8768 -6.0608 -8.321 0.8316 -0.5146 -0.137 7.76773 0.8029 3.7480471856 10.5746791498 0.532582973
+N      0.87308468      0.06413870     -0.21654193
+C      2.26153167      0.02329685     -0.07577660
+C      3.15474616      1.07036673     -0.02151982
+C      4.50484360      0.61157946      0.01982067
+Cl      5.85382946      1.71920517      0.10715162
+C      4.65746636     -0.74743702      0.00270430
+S      3.09710617     -1.52080281     -0.09308150
+H      0.48063235      0.97711732      0.00704321
+H      0.37650768     -0.66850284      0.28796530
+H      2.87333759      2.12118456     -0.00466747
+H      5.56460429     -1.33879613      0.04779221 
+
+13
+-1348.720626527906 13.014583 12.92423 -7.2353 -5.3556 -7.574 1.1042 -0.1288 0.432 7.22239 0.19015 3.934819696 6.2222126128 0.336992371
+N      0.79202593      0.05588192     -0.19238072
+C      2.18587048     -0.00361402     -0.01806927
+C      3.11915780      1.00317157      0.00086661
+C      4.47058188      0.53194743      0.01600757
+C      4.57563763     -0.83687409      0.03276615
+N      5.70377529     -1.65734035      0.20748781
+S      2.97517177     -1.58281240      0.00638228
+H      0.47509420      1.01296235     -0.34235782
+H      0.26694172     -0.35719319      0.57988965
+H      2.84713636      2.05890767     -0.00818996
+H      5.34003338      1.18968142      0.02666095
+H      5.86206870     -2.30442444     -0.56648841
+H      6.54626487     -1.10575390      0.36502517 
+
+12
+-1278.4337362936537 12.101556 12.16066 -7.6063 -5.6853 -7.886 0.9911 -0.3498 0.231 7.49721 0.35262 4.0253418746 6.2695752648 0.335856822
+N      0.80998958      0.04339414     -0.22391725
+C      2.19968533     -0.00902787     -0.02663269
+C      3.12414308      1.00632720      0.01366100
+C      4.48033730      0.55226646      0.06790618
+C      4.58773691     -0.80998243      0.07737464
+O      5.73119074     -1.53980855      0.27267341
+S      2.99579217     -1.58334146      0.00617401
+H      0.48573459      1.00255343     -0.34396847
+H      0.27432583     -0.40543266      0.52035941
+H      2.84143163      2.05898681     -0.00025140
+H      5.34954585      1.20570899      0.11731740
+H      5.79469698     -2.23349405     -0.40896624 
+
+12
+-1282.6483833400678 12.063906 12.14589 -7.4653 -5.6076 -7.931 0.8365 -0.3005 0.242 7.40687 0.3249 4.0764489038 6.0582411278 0.363722889
+N      0.88361951      0.09876986     -0.22293856
+C      2.27364167      0.03416980     -0.08063543
+C      3.18012020      1.07118498     -0.03442916
+C      4.53433442      0.60917623      0.01890001
+O      5.63344353      1.43419358      0.07980690
+C      4.65944163     -0.75682115      0.01571085
+S      3.08865335     -1.51445759     -0.06802969
+H      0.49637992      0.98527582      0.09650387
+H      0.38638775     -0.67625607      0.21279890
+H      2.89276387      2.12337485     -0.03711239
+H      5.32721724      2.35623091      0.04150572
+H      5.56010691     -1.35821122      0.05826898 
+
+13
+-1352.4441686894165 12.857813 12.76968 -7.5631 -5.7314 -7.835 1.1529 -0.2876 0.29 7.26826 0.26953 4.0522468366 5.880160036 0.324190021
+N      0.82234754      0.27490264     -0.00462279
+C      2.22443155      0.09331496     -0.04051834
+C      3.14461441      1.12871928     -0.02837471
+N      2.77125942      2.47996246     -0.06408821
+C      4.49862669      0.66515904     -0.05271898
+C      4.59815263     -0.70350448     -0.07988750
+S      3.04732847     -1.46949639     -0.10964339
+H      0.36435900      0.08102517     -0.89841798
+H      0.36617274     -0.28003052      0.72129384
+H      3.35267255      3.07928978      0.51906232
+H      1.78280691      2.58879628      0.17079350
+H      5.36318610      1.32852316     -0.05052952
+H      5.49990198     -1.30868137     -0.08777823 
+
+12
+-1280.6642202150274 12.065204 12.08822 -7.5849 -5.7356 -7.976 0.7909 -0.4396 0.151 7.44183 0.38369 4.055148109 5.9103258298 0.348754067
+N      0.95069985     -0.00923488     -0.22217028
+C      2.35156225      0.02608174     -0.10118254
+C      3.09887924      1.18571296     -0.12501897
+O      2.57260014      2.45036738     -0.27277224
+S      4.82608751      0.85940732     -0.11291406
+C      4.52565593     -0.84587296      0.00297022
+C      3.18552782     -1.13580882     -0.02536127
+H      0.53502909      0.91309179     -0.09449928
+H      0.50976087     -0.68558626      0.39987485
+H      2.89096847      3.01886701      0.45257612
+H      5.36486045     -1.52987575      0.07960035
+H      2.79207839     -2.15148954      0.00825710 
+
+12
+-1272.408030313713 11.718407 12.08353 -7.597 -5.6991 -8.175 0.7919 -0.1403 0.542 7.62641 0.0855 3.8920073302 10.2351806846 0.252167782
+N      0.91757651      0.03971512     -0.23028787
+C      2.31475299      0.03691282     -0.08374344
+C      3.18150592      1.12293542     -0.04890275
+N      4.47520682      0.63099581      0.02912507
+C      4.46889746     -0.73995723      0.03666368
+C      3.13997668     -1.12607568     -0.03057862
+Cl      2.54035465     -2.75955907     -0.02532107
+H      0.46239131      0.79039415      0.28581623
+H      0.51357582     -0.85712297      0.04040863
+H      2.98077966      2.18760214     -0.08471826
+H      5.30856867      1.20443403      0.05803340
+H      5.37464351     -1.33113454      0.09198500 
+
+11
+-1193.7772947052301 10.829795 11.36618 -8.1089 -6.1821 -8.545 1.0983 -0.202 0.016 7.9802 0.56106 3.8160287094 10.4736925528 0.393219659
+N      0.91366456      0.01497459     -0.22397960
+C      2.30164375      0.02976882     -0.07341586
+C      3.17484797      1.08893545     -0.02257652
+O      4.48104905      0.63940320      0.04329067
+C      4.44053892     -0.72151828      0.03606720
+C      3.14031626     -1.13815820     -0.03470863
+Cl      2.56038593     -2.77276847     -0.05155229
+H      0.44619689      0.82760284      0.17120130
+H      0.49363101     -0.84649793      0.12284920
+H      3.04344815      2.16408146     -0.03457307
+H      5.38524752     -1.24856348      0.08713760 
+
+11
+-1171.9051881649987 13.437015 13.62386 -7.8947 -6.1612 -8.534 0.8758 -0.6275 -0.242 7.89978 0.83796 3.9332822696 5.8728820578 0.341207358
+N      0.93991325     -0.00736586     -0.20960014
+C      2.32593327      0.06347221     -0.06812191
+C      3.09636463      1.20932755     -0.02237453
+S      4.79422884      0.85530873      0.05546851
+C      4.50697158     -0.84556900      0.03330503
+C      3.16177400     -1.10436965     -0.03305009
+Cl      2.48148068     -2.71444656     -0.05210469
+H      0.43411503      0.78167083      0.18416860
+H      0.55107965     -0.89677499      0.10076331
+H      2.76236050      2.24203161     -0.04725870
+H      5.32560859     -1.55529488      0.07667461 
+
+13
+-1354.7329541874972 12.903103 12.79419 -7.573 -5.7766 -8.08 0.7634 -0.2135 0.331 7.42214 0.1558 4.2825012372 5.912954333 0.341743989
+N      0.94574843     -0.09531070     -0.12984621
+C      2.34686438      0.04092497     -0.03414301
+C      3.08291958      1.20400739     -0.06471110
+S      4.78820517      0.88786092      0.00994794
+C      4.51945174     -0.82592556      0.07453883
+C      3.17815785     -1.13366428      0.03354742
+N      2.58356589     -2.41039835      0.11945490
+H      0.45505022      0.79264967     -0.03666939
+H      0.58678078     -0.75404335      0.56540787
+H      2.72249376      2.22761180     -0.10480320
+H      5.36492414     -1.50609654      0.11719544
+H      1.84820758     -2.52730954     -0.58159292
+H      3.25881048     -3.16777645      0.02806343 
+
+12
+-1285.0742049782252 11.84832 12.01974 -8.0587 -6.223 -8.452 1.0172 -0.4973 0.054 7.85935 0.45174 4.3697997798 6.1253671482 0.341907216
+N      0.93745583     -0.26927213     -0.01237352
+C      2.35252387     -0.02953100      0.02847000
+C      3.05287299      1.14932025      0.15081315
+S      4.75950125      0.86498058      0.14168859
+C      4.55204076     -0.85261324     -0.02777139
+C      3.21575168     -1.17201991     -0.07393251
+O      2.69404300     -2.42211011     -0.20314755
+H      0.48920938      0.22068643     -0.78928581
+H      0.47489317      0.02600381      0.85006340
+H      2.67079539      2.16174344      0.24539610
+H      5.41265417     -1.51019078     -0.08304633
+H      1.71862851     -2.26618734     -0.20566414 
+
+13
+-1352.2336414349368 12.99582 12.91963 -7.1948 -5.3589 -7.71 0.915 -0.1677 0.437 7.1347 0.12434 4.0516393052 5.854432941 0.378908037
+N      0.88197471      0.10949680     -0.24205159
+C      2.27118602      0.02886185     -0.08340736
+C      3.18129364      1.05608821      0.01766618
+C      4.54048440      0.59936704      0.07492495
+N      5.61319587      1.49378130      0.26058418
+C      4.64620029     -0.77183112      0.01833935
+S      3.07299261     -1.52647321     -0.10746587
+H      0.49903397      0.98148021      0.12034277
+H      0.37653163     -0.68154731      0.15394375
+H      2.89648076      2.10736689      0.06743181
+H      5.49321890      2.36513656     -0.25411211
+H      6.51682132      1.08370940      0.03133089
+H      5.53509588     -1.39369662      0.05069304 
+
+12
+-1281.9273744521895 12.048962 12.20404 -7.4748 -5.6373 -8.069 0.7356 -0.2227 0.198 7.51071 0.33748 4.1584532442 5.931738212 0.370871911
+N      0.94379241     -0.03252071     -0.22527150
+C      2.34073372      0.04646541     -0.06784757
+C      3.07353023      1.21002589     -0.00118195
+S      4.79179627      0.89432907      0.07342423
+C      4.50137243     -0.82438051      0.03179816
+O      5.59237418     -1.64453033      0.07277891
+C      3.16566230     -1.12964024     -0.04899869
+H      0.46642742      0.83337957      0.01889402
+H      0.52922361     -0.80873098      0.28837487
+H      2.72159064      2.23691777      0.00230729
+H      5.28171036     -2.56593194      0.01508934
+H      2.77716641     -2.14640301     -0.11299711 
+
+12
+-1274.5946185194407 11.681045 12.15117 -7.8929 -5.9722 -8.207 0.7821 -0.1556 0.58 7.71668 0.08345 3.6384559602 10.8336611066 0.526503769
+N      0.91174229     -0.20202763      0.13975158
+C      2.30612854     -0.02583335      0.04015794
+C      3.12286573      1.09311600     -0.06447076
+Cl      2.52962741      2.72560812     -0.17592154
+C      4.48259164      0.67797607     -0.06901515
+C      4.47095609     -0.70197608      0.02684292
+N      3.15662473     -1.11262376      0.09764264
+H      0.48793946      0.60679115      0.59784890
+H      0.47070144     -0.29486743     -0.77969167
+H      5.35646405      1.31622755     -0.14276279
+H      5.28705146     -1.41532534      0.04599259
+H      2.82970715     -2.06059531      0.25017534 
+
+11
+-1198.1542248975015 11.034173 11.51423 -7.7942 -5.8632 -8.274 0.8523 -0.1392 0.141 7.79575 0.47669 3.3811974088 10.8919097294 0.3573604
+N      0.96130072     -0.09582104      0.23244802
+C      2.32804928      0.05895419      0.07617236
+C      3.14718165      1.15888842      0.00540776
+Cl      2.59690166      2.80563277     -0.04887225
+C      4.49871763      0.68353385     -0.03301037
+C      4.41580779     -0.67451140      0.00928504
+O      3.08831660     -1.07495566      0.08525041
+H      0.46405123      0.77698360      0.06007468
+H      0.57208608     -0.85657446     -0.32474717
+H      5.39962851      1.28469179     -0.09191017
+H      5.14227884     -1.47703205     -0.01010831 
+
+11
+-1170.2231116030791 13.424457 13.61846 -7.8152 -6.0288 -8.296 0.9323 -0.5033 -0.138 7.75671 0.78592 3.5376677408 10.80104039 0.294250259
+N      0.83747479      0.03330266      0.22311242
+C      2.22103460     -0.01346487      0.07816026
+C      3.11226954      1.03787811      0.01100456
+Cl      2.56528917      2.69972278     -0.03745160
+C      4.48387684      0.65357620     -0.02998213
+C      4.63887581     -0.70524486      0.00339809
+S      3.10339516     -1.52667877      0.11727513
+H      0.47875033      0.97765714      0.07638846
+H      0.32886142     -0.64018808     -0.34766435
+H      5.30387446      1.36537453     -0.09678488
+H      5.55062788     -1.29144483     -0.04287595 
+
+12
+-1281.3974601580658 12.033736 12.06866 -7.5224 -5.6564 -7.887 0.8512 -0.3165 0.159 7.39577 0.42833 3.9759086564 6.0567284986 0.318270085
+N      0.83586202     -0.00521698      0.22153013
+C      2.23258296     -0.03677203      0.07571208
+C      3.10071345      1.03350973     -0.01034387
+O      2.59847746      2.32158931     -0.07863317
+C      4.47576889      0.65875670     -0.03583405
+C      4.65085304     -0.70164870      0.03300299
+S      3.13467975     -1.53610212      0.16999747
+H      0.51149207      0.95930425      0.30000442
+H      0.33934191     -0.46209809     -0.54524381
+H      3.34227447      2.94528903     -0.03798097
+H      5.29887735      1.36816778     -0.12688358
+H      5.57360664     -1.27037889     -0.01351763 
+
+10
+-1208.658927346095 12.365943 12.29079 -9.2607 -7.4737 -8.839 -0.3555 -1.9453 -0.935 8.30965 1.47088 3.9827774808 10.1178279356 0.301132977
+N      0.82013665      0.20334078     -0.00993521
+C      1.99042166      0.15297455     -0.00492793
+C      3.39988689      0.08981697      0.00110140
+C      4.30345837      1.14132919      0.00432687
+C      5.64993212      0.70352926      0.01036100
+C      5.76362747     -0.66979619      0.01171150
+S      4.22783019     -1.45309611      0.00557651
+H      3.98930173      2.18315868      0.00234112
+H      6.50696894      1.37460052      0.01361345
+H      6.66743597     -1.27284764      0.01593129 
+
+14
+-1471.3070706873743 13.073382 13.45926 -8.393 -6.4917 -8.127 0.9658 -0.4828 0.304 7.59819 0.28721 4.2913290404 6.3277370974 0.378625877
+N      1.81508202     -0.42698274     -1.14677684
+C      2.69312697     -0.16356294      0.00307517
+C      3.11048966      1.28245113      0.02694727
+C      2.39547687      2.39566611     -0.35822445
+C      3.10580039      3.61562540     -0.16555480
+C      4.36023721      3.42670518      0.36420741
+S      4.68308213      1.74422980      0.62276686
+H      1.49207039     -1.39665853     -1.11924455
+H      2.34497761     -0.31486499     -2.01541227
+H      3.60092073     -0.79889033      0.04499860
+H      2.11517881     -0.39195828      0.91560621
+H      1.39032358      2.32190421     -0.77097554
+H      2.70503204      4.59817410     -0.41254508
+H      5.11540159      4.16624190      0.61465200 
+
+9
+-1080.4538662640455 11.520464 11.46194 -10.1399 -8.3574 -9.838 -0.9367 -2.5761 -1.518 9.19335 1.85875 4.3617902842 9.9846421744 0.310729767
+N      0.83621177      0.11971727     -0.00762770
+C      2.00682606      0.11726182     -0.00346867
+C      3.41801741      0.09009500      0.00156533
+C      4.30769835      1.15412782      0.00384597
+C      5.64164007      0.68125835      0.00892715
+N      5.81933947     -0.63786534      0.01078472
+S      4.33486603     -1.39328927      0.00602371
+H      4.00777538      2.19951147      0.00190291
+H      6.52628546      1.31997289      0.01157657 
+
+13
+-1346.1550717669709 12.206626 12.61684 -9.3109 -7.3138 -9.141 0.5302 -1.0349 -0.272 8.43589 0.87111 4.6141141928 10.152531617 0.638764258
+N      1.82333490     -0.40527192     -1.15933716
+C      2.67512666     -0.15911283      0.01177222
+C      3.06534128      1.29164363      0.08978898
+C      2.36294893      2.40572955     -0.32668588
+C      3.08276728      3.59526827     -0.04109704
+N      4.26695566      3.47298538      0.55196286
+S      4.55777136      1.83359418      0.78413648
+H      1.48734322     -1.37038765     -1.14342017
+H      2.37312905     -0.29814100     -2.01587239
+H      3.59096575     -0.78176649      0.05786539
+H      2.08585849     -0.41238170      0.90942348
+H      1.38995781      2.35540068     -0.81140087
+H      2.73309960      4.60337991     -0.27483588 
+
+10
+-1209.626568425086 12.205975 12.37615 -9.4215 -7.604 -8.998 -0.0609 -1.6395 -0.678 8.47675 1.33815 4.3167709676 10.3437924206 0.357914293
+N      0.87213736      0.01319172     -0.02569925
+C      2.04178270      0.02659866     -0.01534113
+C      3.46471654      0.03384300     -0.00269808
+C      4.22169930      1.19454958      0.00451394
+S      5.90449032      0.84299084      0.01938268
+C      5.61183852     -0.86591487      0.01606770
+C      4.27232303     -1.15142074      0.00401250
+H      3.86831572      2.22079939      0.00182192
+H      6.45077875     -1.55517256      0.02326631
+H      3.86007776     -2.15812503     -0.00009658 
+
+14
+-1471.9049473509704 13.017012 13.51057 -8.4081 -6.5944 -8.306 1.1582 -0.3721 0.271 7.71685 0.29087 4.4177079702 6.2635619438 0.377419369
+N      1.65549149     -0.42606106     -1.07365761
+C      2.74013726     -0.14324069     -0.12433965
+C      3.09654181      1.32398679     -0.10469245
+C      2.26773335      2.33201636     -0.54662550
+S      2.98869780      3.89358656     -0.34994150
+C      4.42150673      3.20453082      0.33542974
+C      4.33513597      1.83464798      0.39743400
+H      1.37251557     -1.40458027     -0.99541004
+H      1.99408797     -0.29500598     -2.03062145
+H      3.66816754     -0.72304956     -0.30518337
+H      2.38559396     -0.43771959      0.87881811
+H      1.27187204      2.23100217     -0.96684687
+H      5.24070118      3.84883499      0.64120907
+H      5.13398732      1.20382147      0.78868751 
+
+9
+-1080.3074597572786 11.450817 11.59095 -9.9624 -8.1833 -10.109 -0.6055 -2.2633 -1.315 9.34805 1.88836 4.5805635812 6.496060491 0.278689965
+N      0.91330431     -0.05240790     -0.00078919
+C      2.07894516      0.02494851     -0.00004318
+C      3.50968614      0.05899134      0.00083579
+N      4.13741262      1.24170234      0.00209965
+S      5.77764652      0.95482433      0.00282324
+C      5.65320432     -0.76218045      0.00155309
+C      4.32467169     -1.11333832      0.00047631
+H      6.52746008     -1.40789428      0.00160395
+H      3.93958918     -2.13024557     -0.00048966 
+
+13
+-1345.8348561312578 12.297206 12.7761 -9.305 -7.1888 -9.535 0.6049 -1.007 -0.283 8.83239 0.83886 4.8586269834 11.227056286 0.213904679
+N      2.82040084     -0.71233767     -1.34808854
+C      2.40705468     -0.05165014     -0.09714006
+C      2.88661975      1.37830033     -0.04146581
+N      1.99193011      2.35253439      0.10809873
+S      2.79391734      3.82824714      0.16153170
+C      4.36664150      3.15348874     -0.02043836
+C      4.25368816      1.78638146     -0.11731175
+H      2.40622531     -1.64652537     -1.38587465
+H      3.83372984     -0.85378528     -1.35575767
+H      2.75336303     -0.56687947      0.82294461
+H      1.30951859     -0.02973061     -0.06262201
+H      5.26355951      3.76731829     -0.04396908
+H      5.10111134      1.11186818     -0.23296711 
+
+9
+-1083.2389650028274 11.517281 11.45919 -9.7855 -7.9611 -9.191 -0.6589 -2.323 -1.146 8.71166 1.70376 4.0522592352 4.0522592352 0.3022185
+N      0.82303498      0.22139707     -0.00738896
+C      1.99108297      0.14017121     -0.00335105
+C      3.39884487      0.05343272      0.00148118
+C      4.32240190      1.08674535      0.00338479
+N      5.63376580      0.71202125      0.00808564
+C      5.74174396     -0.59507583      0.01017553
+S      4.24010806     -1.47875895      0.00599338
+H      4.05296372      2.14160824      0.00119462
+H      6.68875374     -1.13277105      0.01393486 
+
+13
+-1346.820965718871 12.24896 12.61162 -8.9846 -7.0416 -8.516 0.6038 -0.9564 -0.084 8.03886 0.77684 4.187565157 10.6558899798 0.192991109
+N      2.09314928     -0.51676162     -1.33575959
+C      2.48071040     -0.11517750      0.02993127
+C      3.00544008      1.29276081      0.04690644
+C      2.31585542      2.47795285     -0.07597233
+N      3.05812910      3.63281676     -0.06495456
+C      4.33198896      3.35606436      0.06031982
+S      4.70580082      1.65459066      0.17782254
+H      1.78050767     -1.49131142     -1.32828401
+H      2.91210961     -0.47730412     -1.94872815
+H      3.22382469     -0.78110261      0.51022698
+H      1.57553792     -0.15523431      0.65719230
+H      1.23290504      2.53857948     -0.18414159
+H      5.12547101      4.10033666      0.10255088 
+
+9
+-1082.0753661231781 11.414762 11.53329 -9.9107 -8.1449 -9.918 -0.5241 -2.1671 -1.179 9.31994 1.78184 4.6525622514 10.2473065154 0.339000288
+N      0.90126701     -0.02046922     -0.00713959
+C      2.06967476      0.03068544     -0.00399111
+C      3.49003675      0.07277787     -0.00011060
+C      4.25331394      1.23198935      0.00178008
+S      5.90837924      0.80052418      0.00644443
+N      5.64361137     -0.86013261      0.00588089
+C      4.34049446     -1.08068847      0.00241580
+H      3.90744400      2.26195682      0.00068400
+H      3.97734846     -2.10932336      0.00156612 
+
+13
+-1346.0869607058735 12.173068 12.65343 -9.0049 -7.099 -9.213 0.6289 -0.999 -0.359 8.56456 0.93095 4.6182429266 10.4606492256 0.482123513
+N      1.76832782     -0.36581078     -1.16099298
+C      2.74288983     -0.08735507     -0.09698521
+C      3.08669657      1.38017412     -0.03637810
+C      2.27442724      2.41238431     -0.46338755
+S      3.06214177      3.91252396     -0.17576995
+N      4.44627169      3.23664899      0.49606831
+C      4.29876920      1.91610168      0.49080550
+H      1.47677996     -1.34432209     -1.11606940
+H      2.21028860     -0.23494168     -2.07507516
+H      3.68662540     -0.66386134     -0.17534977
+H      2.28034017     -0.38630875      0.85923146
+H      1.28969114      2.33505256     -0.91625155
+H      5.11774061      1.31136411      0.88934439 
+
+9
+-1083.165473353794 11.460451 11.63779 -9.7993 -7.9241 -9.3 -0.349 -1.9795 -0.867 8.82393 1.54553 4.3352696788 6.4747720948 0.227214031
+N      0.93746280     -0.03050838     -0.00577461
+C      2.10583824     -0.01615232     -0.00207980
+C      3.53182134      0.04360017      0.00229542
+C      4.24792278      1.22596999      0.00074970
+S      5.93322943      0.88410385      0.00721442
+C      5.55269602     -0.82726889      0.01161600
+N      4.28165888     -1.11687045      0.00845353
+H      3.86926122      2.24301595     -0.00378361
+H      6.35040930     -1.56764992      0.01658894 
+
+13
+-1349.545611276682 12.314945 12.81589 -9.0635 -6.951 -8.653 0.722 -0.9144 -0.113 8.09146 0.76833 4.2681064626 10.9651730568 0.267648569
+N      2.47018218     -0.52733191     -1.42288560
+C      2.28764727      0.02039985     -0.06687122
+C      2.79625726      1.43355484     -0.00538452
+C      2.05461932      2.55856036      0.26699888
+S      3.06070890      3.96628900      0.23459889
+C      4.41787947      2.93727447     -0.15460552
+N      4.13724280      1.66366179     -0.24345186
+H      2.26097070     -1.52857991     -1.41440546
+H      3.46044932     -0.44127902     -1.67173366
+H      2.80957395     -0.55612601      0.72446446
+H      1.21469124      0.01145734      0.17723630
+H      0.99095650      2.63733963      0.47135950
+H      5.40959108      3.36256957     -0.29934019 
+
+9
+-1081.2239151533188 11.627213 11.52673 -9.7615 -7.8816 -9.197 -0.8094 -2.4423 -1.388 8.71482 1.92118 3.8167974226 3.8167974226 0.252701642
+N      0.84008534      0.22217000      0.00545947
+C      2.00924251      0.18917585      0.00170776
+C      3.42473245      0.09480654     -0.00265359
+N      4.25165638      1.12078267     -0.00857088
+C      5.54576632      0.68773816     -0.01153800
+C      5.72787283     -0.67807308     -0.00781089
+S      4.20785684     -1.48526939     -0.00024262
+H      6.35240798      1.41923125     -0.01648665
+H      6.65721936     -1.24052201     -0.00912459 
+
+13
+-1348.2250820029278 12.323435 12.70967 -8.9437 -7.0814 -8.618 0.6232 -0.9515 0.028 8.13002 0.66805 4.3619638646 9.295726364 0.228787173
+N      2.42930849     -0.65824919     -1.35135682
+C      2.50818811     -0.12733814      0.02247542
+C      3.01359739      1.28740231      0.02518965
+N      2.26132547      2.35896301      0.00627108
+C      3.01958479      3.50299071     -0.02963413
+C      4.38079195      3.32540755     -0.03775901
+S      4.74533294      1.63621151      0.01090121
+H      2.02479790     -1.59743056     -1.32654135
+H      3.37116651     -0.75844405     -1.73911909
+H      3.13015770     -0.73163949      0.71217005
+H      1.48962335     -0.09631306      0.43504537
+H      2.52343497      4.47284816     -0.04516434
+H      5.16829042      4.07281124     -0.05871804 
+
+15
+-1472.3010145186872 13.729377 14.01033 -7.6628 -5.9233 -8.587 0.6828 -0.4039 0.051 7.69193 0.73236 3.2310503628 10.6367093456 0.725124243
+N      1.18715364      0.12352805      0.33032175
+C      2.49049341      0.05743992     -0.12269933
+S      3.34914676     -1.38550297     -0.21704384
+N      3.04070252      1.25280651     -0.45054964
+C      2.68031152      2.62830757     -0.03885328
+C      4.13500869      3.05886471     -0.36703226
+C      4.46570652      1.56173400     -0.64018367
+H      0.60246993      0.89314061      0.00873770
+H      0.72808782     -0.78189622      0.36609851
+H      2.40191349      2.69422964      1.02603460
+H      1.89088382      3.09208693     -0.65221805
+H      4.21650840      3.70344592     -1.24937544
+H      4.68229605      3.51100244      0.46686143
+H      4.83992921      1.31303238     -1.64316090
+H      5.09979823      1.06626051      0.11076243 
+
+15
+-1474.524784863145 13.829315 14.48651 -7.752 -5.9617 -8.667 0.8239 -0.38 -0.012 7.79158 0.76166 3.2401509352 10.7817481684 0.951912225
+N      3.07289312     -1.22125512      0.53004384
+C      2.56243624     -0.25073593     -0.28850861
+S      0.93778852     -0.18588890     -0.71614015
+N      3.46327954      0.68854305     -0.72538435
+C      4.79008173      0.85132859     -0.20155641
+C      5.90380885     -0.04891098     -0.71424900
+C      5.84172687      1.40170375     -1.12527712
+H      4.07634388     -1.38926134      0.54575212
+H      2.45660710     -2.00946021      0.69599899
+H      3.02169922      1.47828855     -1.19097445
+H      4.84971293      1.15167126      0.85108988
+H      5.63338539     -0.78697737     -1.46986537
+H      6.67771608     -0.35608323     -0.01009501
+H      6.56803900      2.09653214     -0.70527633
+H      5.53720153      1.61364575     -2.15034804 
+
+15
+-1473.6025114876002 14.711415 14.98965 -7.7416 -5.9742 -8.705 0.9588 -0.6808 -0.08 7.82038 0.83615 3.2176970706 10.7175234204 0.685207091
+N      1.93308142      1.61168256      0.83073615
+C      2.38789308      2.88979463      0.58790358
+S      1.48301809      4.25063764      0.99020939
+N      3.63396226      2.98876674      0.04550083
+C      4.55227543      1.89063169     -0.25433183
+C      5.97780269      2.36140703     -0.20149167
+C      6.81561424      2.32740134     -1.24252623
+H      2.23597125      0.85261151      0.22370626
+H      0.95450831      1.58525942      1.10212899
+H      3.93091534      3.94054836     -0.15262577
+H      4.34263041      1.44376582     -1.24464526
+H      4.40490987      1.10820117      0.50978210
+H      6.31272470      2.75392973      0.76421397
+H      6.49899762      1.94690856     -2.21696952
+H      7.84654528      2.67172380     -1.15463100 
+
+13
+-1314.381609551318 14.033233 14.60198 -7.8849 -6.107 -8.774 0.5274 -0.5487 -0.159 7.88713 0.91013 3.1851507456 10.83327675 0.479673804
+N      2.67846705     -1.61372411      0.67973881
+C      2.27075401     -0.61846019     -0.18061416
+S      0.99418725     -0.82402868     -1.25268692
+N      2.99506765      0.53816428     -0.13277896
+C      4.27972464      0.69056664      0.55965796
+C      4.93872425      1.93241911      0.18291629
+C      5.47860600      2.96946755     -0.13657276
+H      3.13612235     -1.36726301      1.55526710
+H      2.02312833     -2.38795580      0.73567456
+H      2.75484075      1.21998902     -0.84718529
+H      4.94038526     -0.16365886      0.32288522
+H      4.12842530      0.69312221      1.65595982
+H      5.96087716      3.88370183     -0.41792166 
+
+12
+-1249.2340106896495 11.791378 12.303 -8.1304 -6.3362 -8.573 0.6138 -0.3658 0.504 8.03997 0.1295 3.9654070422 10.9146859576 0.665042514
+N      0.93130425     -0.18271507     -0.05426276
+N      2.33572478     -0.09156498     -0.01774826
+C      3.10489803      1.04236280      0.15205026
+C      4.43563186      0.65964502      0.12771118
+C      4.44825301     -0.74801671     -0.06270726
+Cl      5.86772192     -1.74858954     -0.16975115
+C      3.14372644     -1.20049197     -0.15086531
+H      0.58526815      0.40616464     -0.81738069
+H      0.55784762      0.18298429      0.82653999
+H      2.64331722      2.01664509      0.27551265
+H      5.29949449      1.30723134      0.23367163
+H      2.72264222     -2.18760491     -0.29372029 
+
+14
+-1333.9672654208962 10.487036 11.98084 -10.4055 -8.4224 -10.71 0.8308 -0.1836 0.117 10.3669 0.34357 5.6438055242 11.3784307934 0.207833662
+N      3.59903729     -1.02931640     -0.48045860
+S      2.62040334      0.18838082      0.18892768
+O      1.51843922      0.47091808     -0.74109237
+O      2.38904089     -0.18799490      1.58715865
+C      3.72161488      1.58673257      0.16861441
+C      3.82918589      2.42649328     -1.07725967
+C      3.09564329      2.95862886      0.12669864
+H      3.56691022     -1.83328638      0.15135039
+H      3.22967151     -1.28268697     -1.39998706
+H      4.59976284      1.40963441      0.78934076
+H      3.22010719      2.12965468     -1.93097441
+H      4.81695727      2.82059600     -1.31532329
+H      3.56496502      3.72593351      0.74156281
+H      2.00872114      3.00667244      0.06213207 
+
+14
+-1334.5172872422982 11.260397 12.32112 -10.0196 -7.8895 -10.215 1.1296 -0.5992 -0.027 9.76085 0.43572 5.5502704858 6.8126339448 0.386762805
+N      0.93585567      0.34541005     -0.13660887
+S      2.56014233     -0.15842133     -0.09906940
+O      2.76491766     -0.93865590      1.12757677
+O      2.89348159     -0.67674285     -1.42932017
+C      3.40735567      1.44330838      0.12156384
+C      4.87874197      1.24462777      0.28735580
+C      5.78668395      1.67500104     -0.59477717
+H      0.52803160      0.03592590     -1.02234005
+H      0.44621947     -0.08553223      0.65172351
+H      2.93675949      1.88084253      1.01396653
+H      3.15456532      2.04095673     -0.76397757
+H      5.19317503      0.71135914      1.18858230
+H      5.49431405      2.20035585     -1.50677879
+H      6.85289620      1.51525493     -0.43202672 
+
+12
+-1174.7507203350435 10.786149 11.96143 -10.3459 -8.1544 -10.436 0.7141 -0.3973 -0.16 10.20288 0.58529 4.3718455488 7.5110222856 0.085114613
+N      1.02444664      0.33449879      0.00599696
+S      2.68322827     -0.03354339      0.00804410
+O      3.01049463     -0.64018187      1.29949571
+O      3.01076583     -0.65327096     -1.27711586
+C      3.36637681      1.67511337     -0.00056463
+C      4.81085203      1.66585006     -0.00034797
+C      6.02295165      1.65719615     -0.00015284
+H      0.60466852     -0.07275325     -0.83341419
+H      0.60449311     -0.06421061      0.84941278
+H      2.95056437      2.16009942      0.89400011
+H      2.95074879      2.15098664     -0.90009569
+H      7.09377935      1.64456565      0.00025152 
+
+11
+-1205.0065847450114 10.942383 11.65833 -7.8296 -5.8852 -8.411 0.7196 -0.2972 0.467 7.93254 0.18225 3.7914174884 10.7111009456 0.478204108
+O      0.95894478     -0.10855816     -0.00659051
+C      2.31465882      0.05818403     -0.00001211
+C      3.13494444      1.17221374      0.00465463
+C      4.46875492      0.66016641      0.01072027
+Cl      5.91274180      1.62896413      0.01836277
+C      4.43390456     -0.71682836      0.00962900
+N      3.08846519     -1.07064555      0.00294026
+H      0.54605775      0.77199048     -0.00794398
+H      2.83555040      2.21441065      0.00391652
+H      5.22553187     -1.45471227      0.01295095
+H      2.71900548     -2.01470511      0.00057220 
+
+13
+-1265.1809984673139 10.116361 11.22244 -9.7549 -7.7968 -10.19 0.6906 -0.4939 -0.407 9.62026 0.91238 4.9653169364 11.4797893484 0.065546369
+O      0.88319666      0.14601926      0.14496104
+C      2.25577741      0.02100146     -0.01349170
+C      3.06471121      1.01272869      0.84348903
+C      4.17974573      0.07035232      1.35403430
+S      3.16631873     -1.39506572      0.88062826
+O      2.38664816     -1.89180557      2.02610067
+O      3.87088531     -2.31568823     -0.02865472
+H      0.42926748     -0.40608433     -0.51617005
+H      2.58126457     -0.03577034     -1.06621176
+H      2.42594467      1.35675497      1.66704641
+H      3.43138887      1.87950684      0.28063379
+H      5.09871555      0.07734853      0.75672830
+H      4.39963565      0.10718212      2.42554644 
+
+11
+-1201.0324272300156 10.944733 11.49467 -8.0943 -6.1686 -8.553 0.699 -0.2434 0.373 8.02098 0.22602 4.008777345 11.0708091288 0.421703065
+O      0.90249430     -0.03414946     -0.00745356
+C      2.27002309      0.01763674     -0.00077438
+C      3.11668849      1.11694713      0.00509873
+N      4.41486668      0.63355528      0.01060640
+C      4.41589663     -0.73860204      0.00838818
+C      3.09149992     -1.14568544      0.00131253
+Cl      2.52370392     -2.78365418     -0.00409169
+H      0.55695770      0.87470941     -0.00763608
+H      2.90193098      2.17970627      0.00578858
+H      5.24539180      1.21192499      0.01555435
+H      5.32808649     -1.32248870      0.01184694 
+
+13
+-1264.7482868279203 9.92644 11.27309 -10.2638 -8.3218 -10.316 0.5107 -0.6612 0.077 9.75855 0.2428 5.2052918394 11.952436379 0.129380915
+O      0.95160765      0.01559358      0.28508499
+C      2.35173814     -0.01935779      0.04491247
+C      3.03989311      1.14754808      0.79357311
+S      4.33568740     -0.00218884      1.38993660
+O      4.46099602     -0.04011017      2.85169357
+O      5.52023269      0.06439108      0.51950433
+C      3.11860424     -1.19873654      0.72237906
+H      0.52523476     -0.64867083     -0.28405579
+H      2.57569267      0.02100404     -1.03282673
+H      2.43316818      1.49839059      1.63788983
+H      3.42571898      1.97668046      0.19293009
+H      3.56537852     -1.95717861      0.07124208
+H      2.54574763     -1.64283504      1.54605639 
+
+11
+-1205.9020236362962 10.898479 11.44123 -7.7779 -5.837 -8.373 0.8518 -0.1198 0.468 7.89455 0.17607 3.5847204278 10.8142944934 0.529743926
+O      0.91894701     -0.09321715      0.00611169
+C      2.27133265      0.03598285      0.00066700
+C      3.10103802      1.14201528     -0.00173396
+Cl      2.50250315      2.77662537      0.00221694
+C      4.45146499      0.68355767     -0.00772446
+C      4.40270146     -0.69526832     -0.00878518
+N      3.06641025     -1.07871599     -0.00363111
+H      0.54912878      0.81094423      0.00847291
+H      5.34330998      1.30045676     -0.01081759
+H      5.19460658     -1.43440748     -0.01273973
+H      2.71260714     -2.02874322     -0.00307650 
+
+11
+-1277.6216707368308 12.338901 12.01242 -9.1171 -7.4264 -9.042 -0.5578 -2.1895 -1.348 8.48856 2.02577 3.3906203448 3.829121631 0.360118322
+O      2.54398345     -1.20492066      0.04775013
+C      2.08509385     -0.06939158     -0.00997537
+C      2.87125992      1.15543887      0.00291382
+C      2.40916691      2.46267388     -0.06065123
+C      3.45110218      3.41870404     -0.02483194
+C      4.69652149      2.82814920      0.06554922
+S      4.61532277      1.10658061      0.10803936
+H      0.98239693      0.10889023     -0.08129482
+H      1.34945029      2.70781413     -0.13046356
+H      3.29995722      4.49629675     -0.06326166
+H      5.66567499      3.31856453      0.10998604 
+
+13
+-1402.8690061276632 12.450318 12.82969 -8.5635 -6.7069 -8.254 0.763 -0.7074 0.242 7.73525 0.3372 4.3457836916 6.3415615364 0.396016444
+O      2.58837291     -0.70924246     -1.34142280
+C      2.29736191     -0.07815863     -0.08147435
+C      2.85294851      1.30794156     -0.07367305
+C      2.18400691      2.49320449      0.13987790
+C      3.03500479      3.63506248      0.12582760
+C      4.34982565      3.30768727     -0.10473947
+S      4.55830664      1.60101700     -0.30566308
+H      2.34725841     -1.64846273     -1.26071087
+H      2.72955936     -0.66812606      0.74840872
+H      1.20750627     -0.00668535      0.09085811
+H      1.10678200      2.53808263      0.30071990
+H      2.68773854      4.65742052      0.26887536
+H      5.20840810      3.96754928     -0.19194400 
+
+10
+-1148.2320090053402 11.355859 11.19722 -9.8383 -8.0808 -10.078 -1.0986 -2.7789 -1.892 9.40896 2.22684 3.2307775936 10.1738076146 0.337494989
+O      2.62104536     -1.18140746      0.08668449
+C      2.12027130     -0.06974362     -0.00746203
+C      2.87801852      1.18434234      0.01883966
+C      2.39566313      2.48148889     -0.08062609
+C      3.45713991      3.41458990     -0.01133530
+N      4.68615785      2.91879673      0.13125535
+S      4.60574829      1.25002341      0.18915923
+H      1.01619716      0.06476429     -0.12303456
+H      1.34334285      2.73763264     -0.19603348
+H      3.34380564      4.49877290     -0.06548727 
+
+12
+-1276.9646155234736 11.507957 11.98726 -9.2261 -7.435 -9.183 0.4956 -1.0738 -0.274 8.48277 0.86101 4.6475408184 10.1430342894 0.548758732
+O      1.53317691     -0.25535722     -1.00191713
+C      2.62601541     -0.15317669     -0.08563811
+C      2.99534264      1.29309062      0.05413373
+C      2.30532120      2.40096532     -0.38948797
+C      2.98895833      3.59598283     -0.03737708
+N      4.12960850      3.47869491      0.63230550
+S      4.43081313      1.83997583      0.86187734
+H      1.25061562     -1.18448287     -1.02181214
+H      3.50155814     -0.72846994     -0.44201680
+H      2.34757822     -0.55540486      0.90723776
+H      1.36874014      2.34550316     -0.93966958
+H      2.64132176      4.60268892     -0.27955551 
+
+11
+-1277.0033291047903 12.229457 12.12994 -9.284 -7.5033 -9.043 -0.1807 -1.8375 -1.091 9.5739 1.8718 3.4052506928 5.385083938 0.420905286
+O      2.64978159     -1.19618395      0.09273369
+C      2.12679498     -0.09263399      0.01034357
+C      2.86334682      1.17902703     -0.00201686
+C      2.23279589      2.40916475     -0.09603532
+S      3.36288570      3.70520262     -0.08586695
+C      4.70541573      2.60402009      0.04576342
+C      4.28838092      1.30178652      0.07938071
+H      1.01450616      0.01327821     -0.06168151
+H      1.16706736      2.61069800     -0.17011801
+H      5.71675490      2.99843378      0.08944175
+H      4.95032995      0.44141694      0.15848551 
+
+13
+-1403.018592345396 12.411964 12.91871 -8.7004 -6.8242 -8.402 0.9766 -0.5126 0.232 7.82892 0.31857 4.4632604266 6.3247986292 0.377739782
+O      2.64013663     -0.67379120     -1.25443666
+C      2.23871267     -0.04002764     -0.02660559
+C      2.77665772      1.36074827     -0.00073278
+C      1.99963764      2.48278771      0.18445161
+S      2.94740016      3.93115870      0.20573470
+C      4.40901841      3.03337918     -0.04835785
+C      4.16328659      1.68648741     -0.13643865
+H      2.39822554     -1.61352096     -1.19095761
+H      2.63701189     -0.60173628      0.83997695
+H      1.13802556     -0.01452054      0.06782131
+H      0.92129214      2.54025750      0.30710098
+H      5.35762428      3.55789827     -0.11784638
+H      4.93909077      0.94187958     -0.30886004 
+
+10
+-1149.9895496125423 11.365781 11.34754 -9.8546 -7.8604 -10.03 -0.6131 -2.3377 -1.646 9.29548 2.09667 3.2115225678 5.9291469046 0.283779676
+O      2.65277840     -1.12192159      0.08517701
+C      2.12526654     -0.02270917      0.01643762
+C      2.88576845      1.25023307     -0.00629690
+N      2.19192631      2.39219829     -0.08343807
+S      3.26745696      3.66341811     -0.09304035
+C      4.68423734      2.68022173      0.00681369
+C      4.30677029      1.36101112      0.04751693
+H      1.01875955      0.10858268     -0.03492381
+H      5.68316567      3.10860739      0.02969309
+H      4.97746050      0.50713837      0.11136079 
+
+12
+-1279.3328087831933 11.541286 12.11578 -9.1327 -7.2647 -9.475 0.5702 -1.0266 -0.298 8.75923 0.8629 4.8540147042 6.743722526 0.251428093
+O      2.98938753     -0.77758591     -0.88785025
+C      2.15757339      0.02912821     -0.04826236
+C      2.78032129      1.39619816      0.08163093
+N      2.06786107      2.36026373      0.66033325
+S      2.99423272      3.75645207      0.70508512
+C      4.36317167      3.05839277     -0.06763087
+C      4.09257417      1.73900400     -0.35326456
+H      2.59306298     -1.66268180     -0.93220754
+H      2.05938716     -0.41296993      0.96075012
+H      1.14091709      0.14127473     -0.46476899
+H      5.26652804      3.62803741     -0.27077890
+H      4.77028289      1.04626655     -0.84573594 
+
+10
+-1152.4628092736518 11.40392 11.15799 -9.8142 -7.8689 -9.467 -0.8048 -2.5102 -1.458 8.96437 2.03377 3.3973527846 4.0496059348 0.390481038
+O      2.53749074     -1.20845260      0.06346685
+C      2.09930932     -0.06700445     -0.00081570
+C      2.91189913      1.14415188      0.00443091
+C      2.48034757      2.45897469     -0.06597676
+N      3.45073734      3.41925294     -0.04323080
+C      4.63521703      2.85100514      0.04472754
+S      4.65390071      1.11366663      0.10605864
+H      1.00112775      0.13257078     -0.07046121
+H      1.43294823      2.75422209     -0.13649240
+H      5.57004217      3.40949291      0.07924292 
+
+12
+-1279.4319857698993 11.609231 11.9929 -9.0911 -7.1967 -8.625 0.5271 -1.0638 -0.108 8.15627 0.78436 4.253401723 6.4679404662 0.202453845
+O      2.59410449     -0.69025877     -1.36454570
+C      2.30842149     -0.08469741     -0.09357032
+C      2.88250850      1.29234149     -0.05853934
+C      2.23757446      2.48183158      0.18916463
+N      3.01260497      3.61605056      0.20391356
+C      4.26216755      3.30958262     -0.03795931
+S      4.57972461      1.61231394     -0.29895246
+H      2.31464732     -1.62068333     -1.31628095
+H      2.73164234     -0.69288922      0.72712995
+H      1.21967369     -0.00056083      0.07876782
+H      1.16584382      2.56598962      0.37096799
+H      5.07168676      4.03530975     -0.10060586 
+
+10
+-1149.3226945206573 11.369563 11.29432 -9.84 -7.8529 -10.15 -0.5105 -2.2053 -1.434 9.493 2.04956 3.3909427084 5.613156185 0.333157364
+O      2.69812494     -1.13626205      0.02782757
+C      2.16057508     -0.03856575     -0.00437479
+C      2.89112227      1.23879498     -0.00250142
+C      2.29273410      2.48951327     -0.03798672
+S      3.50767488      3.69337485     -0.02117067
+N      4.80235279      2.60902432      0.03167432
+C      4.31506438      1.38033590      0.03596992
+H      1.04663635      0.05858768     -0.03684223
+H      1.23191337      2.72761805     -0.07164876
+H      5.00568182      0.53656875      0.06798279 
+
+12
+-1276.596380517435 11.563849 12.06636 -9.2688 -7.4613 -9.366 0.4005 -1.201 -0.411 8.68976 0.97313 4.6921013868 10.3596750272 0.449951649
+O      1.97181704     -0.40419678     -1.30732208
+C      2.44172030     -0.06028468      0.00858872
+C      2.88949220      1.37242233      0.00502435
+C      2.06284467      2.47114761     -0.13968725
+S      3.00939650      3.90186547     -0.09814264
+N      4.47816223      3.11374573      0.11173307
+C      4.23946353      1.80761297      0.13791060
+H      1.68271400     -1.33310365     -1.28138096
+H      3.29170311     -0.70062628      0.30612658
+H      1.63900763     -0.20086687      0.75549329
+H      0.98434160      2.49051080     -0.27610296
+H      5.09007720      1.13287334      0.26241927 
+
+10
+-1149.9075104707158 11.512038 11.4448 -9.6272 -7.6685 -9.469 -0.3643 -2.0418 -1.121 9.61283 1.74125 3.3543916356 5.0521071364 0.232717771
+O      2.71252919     -1.17072853      0.14215753
+C      2.18711127     -0.07742457      0.02804648
+C      2.90305814      1.21636275      0.01184212
+C      2.24370398      2.42567458     -0.12134750
+S      3.36633046      3.72689106     -0.10207304
+C      4.66077351      2.54324585      0.08630214
+N      4.27570458      1.30308983      0.12843971
+H      1.07674385      0.02968934     -0.07726379
+H      1.17646784      2.60168067     -0.22713326
+H      5.69581718      2.87514902      0.15766962 
+
+12
+-1281.9671316443 11.573122 12.16023 -8.8606 -6.9755 -8.571 0.8567 -0.8056 -0.099 8.02555 0.76638 4.2111720914 10.7637949956 0.422947396
+O      1.32133269     -0.27641562     -0.71653003
+C      2.59127834     -0.09784142     -0.08629807
+C      2.92583332      1.36535194     -0.06738292
+C      2.14259302      2.37536490     -0.57051057
+S      2.92575428      3.89923279     -0.32973099
+C      4.25295654      3.05895229      0.43280746
+N      4.11838615      1.75914012      0.49889861
+H      1.12135196     -1.22610534     -0.71657815
+H      3.39288192     -0.63647351     -0.62603958
+H      2.58543940     -0.47213008      0.95478614
+H      1.17506497      2.29588905     -1.05439973
+H      5.11222739      3.60867485      0.81312784 
+
+10
+-1152.6373780915224 11.544077 11.25689 -9.5539 -7.7366 -9.267 -0.9635 -2.6373 -1.828 8.77608 2.32778 3.1958383388 3.5743799954 0.291221348
+O      2.49121232     -1.15553141      0.07821992
+C      2.05250982     -0.01673060      0.00056550
+C      2.89023190      1.18962170     -0.00324389
+N      2.41862551      2.41826746     -0.08730768
+C      3.43460696      3.32624150     -0.06709159
+C      4.70625106      2.79564246      0.03366024
+S      4.64473745      1.07834172      0.10773999
+H      0.96263216      0.20678581     -0.07507776
+H      3.21019356      4.39057841     -0.12873855
+H      5.65540925      3.32371295      0.06708383 
+
+12
+-1281.700031233099 11.59715 12.02603 -8.8945 -6.9349 -8.58 0.7334 -0.8042 0.03 8.10112 0.66713 4.31905231 10.9739016712 0.204731615
+O      2.89106872     -0.81204579     -1.11628544
+C      2.22156425     -0.03381270     -0.12218218
+C      2.83168172      1.33603886     -0.09629640
+N      2.29071849      2.37299160      0.49066073
+C      3.10650056      3.47466340      0.38303886
+C      4.28198360      3.28291008     -0.29812700
+S      4.39439260      1.64272778     -0.84015980
+H      2.67446575     -1.74626787     -0.96510374
+H      2.32521419     -0.48917031      0.87985930
+H      1.14296658      0.07135095     -0.33543688
+H      2.78805836      4.41985852      0.82151340
+H      5.06383519      4.00222549     -0.52303085 
+
+9
+-945.0846322901556 9.838246 10.78487 -10.4021 -8.5049 -10.906 -0.5974 -2.6425 -2.084 10.54151 2.86982 3.5940069792 8.9942296078 0.123580885
+O      2.83500974     -1.03074520     -0.12039010
+C      2.24715342      0.00384529     -0.00141065
+S      3.06881594      1.69525723      0.09128930
+O      2.64998380      2.42663740     -1.11137809
+O      2.80646225      2.21003921      1.44147991
+C      4.73638806      1.28762322     -0.04563889
+C      5.90185491      0.96404244     -0.14786435
+H      1.14346759      0.13917653      0.07325169
+H      6.93450428      0.68698388     -0.23851883 
+
+13
+-1255.0925800557427 10.583711 11.50009 -10.1932 -8.199 -10.435 0.2235 -1.5048 -0.271 9.82151 0.7749 5.176601479 6.7346219536 0.270967926
+O      2.64315745     -0.93819027      1.02434866
+C      2.33597996     -0.21650295     -0.13404855
+S      2.99251536      1.50151984     -0.04710715
+O      2.51395088      2.23176755     -1.23158379
+O      2.68943189      1.95222044      1.32876250
+C      4.76456331      1.29309777     -0.15420446
+C      5.43500398      1.82172474     -1.17713118
+H      2.31891305     -0.41121671      1.78242111
+H      1.25580411     -0.05790117     -0.30701496
+H      2.79137432     -0.71116497     -1.00104467
+H      5.20565543      0.76061532      0.68925892
+H      4.90574445      2.35454694     -1.96938467
+H      6.52166582      1.74632347     -1.23583177 
+
+11
+-1081.031800459606 10.199441 11.5553 -10.8087 -8.7611 -10.481 0.3654 -1.4124 -0.887 10.09345 1.37251 4.466843622 10.7426553826 0.26463242
+O      1.07255106     -0.04484600      0.01077219
+C      2.47478306      0.03509450      0.01928394
+S      2.89111339      1.82514890     -0.01777520
+O      2.50746187      2.38512914     -1.31384091
+O      2.48688939      2.44283692      1.24539920
+C      4.62445338      1.66216791     -0.00013482
+C      5.83727741      1.59617868      0.01114454
+H      0.81643616     -0.98213932      0.02893192
+H      2.95603589     -0.39043658     -0.87829371
+H      2.94260993     -0.34962617      0.94203778
+H      6.90856846      1.53966202      0.02106507 
+
+11
+-1165.8042659097728 11.134513 11.60006 -8.4274 -6.5182 -8.727 0.6379 -0.5131 0.328 8.21101 0.29823 3.957509134 6.172271052 0.400639907
+O      0.94847901      0.20165437     -0.30756984
+N      2.32581590      0.11343841     -0.12004722
+C      3.17133084      1.19325621     -0.12287665
+C      4.46054644      0.69389837     -0.00365810
+C      4.34963712     -0.71937517      0.05551401
+Cl      5.67044402     -1.84142045      0.20152897
+C      3.01182782     -1.07513804     -0.02719383
+H      0.57534580      0.24266707      0.59729091
+H      2.78709684      2.20218503     -0.21674419
+H      5.37518152      1.27561004      0.03235929
+H      2.50816469     -2.03315585     -0.03810334 
+
+11
+-1180.0051345837962 10.414564 11.09973 -9.801 -7.7626 -10.223 -0.974 -2.6773 -1.434 9.84183 1.90897 4.3297275046 7.6987618868 0.577577402
+O      0.84526673      0.00061936      0.15519152
+S      2.30736281     -0.00000393      0.32031901
+O      2.89857706      0.00008430      1.66768695
+C      3.04755753      1.29197155     -0.68430118
+C      3.77130158      0.73889637     -1.66763616
+C      3.77063394     -0.74123860     -1.66726513
+C      3.04638599     -1.29315461     -0.68363851
+H      2.86770676      2.33488259     -0.44019791
+H      4.32072630      1.31186240     -2.41416803
+H      4.31953626     -1.31508815     -2.41350760
+H      2.86558503     -2.33578127     -0.43900297 
+
+13
+-1330.1540993901115 10.649063 11.56257 -10.3445 -8.1254 -10.253 1.0764 -0.5934 -0.044 10.00645 0.66713 5.1673893192 6.2543249868 0.302862874
+O      1.02295085      0.00596207      0.36154480
+S      2.48972884     -0.00036834      0.24040073
+O      3.35502266     -0.00577801      1.43063074
+C      2.99060800     -1.36418971     -0.89118346
+C      3.45286000     -0.67249473     -2.13306428
+C      3.45880831      0.66949805     -2.13127871
+C      3.00268132      1.36196518     -0.88756209
+H      2.10706264     -2.00081605     -1.03955607
+H      3.77840247     -1.93724902     -0.38203298
+H      3.76577584     -1.26064541     -2.99719007
+H      3.77693258      1.25714421     -2.99384411
+H      3.79550918      1.92667547     -0.37689999
+H      2.12480733      2.00677629     -1.03424450 
+
+13
+-1329.190146111481 10.675786 11.64629 -10.0707 -8.1171 -10.212 0.6383 -1.0368 -0.319 10.40004 0.99136 5.1368143716 6.3029646946 0.243912521
+O      0.94862178      0.05702471     -0.24438662
+S      2.42170648      0.03752556     -0.25426899
+O      3.15027703      0.16479361     -1.52678509
+C      3.04061446     -1.41263337      0.69000852
+C      3.43514064     -0.89790224      2.07973041
+C      3.49528089      0.61036353      2.03669128
+C      3.03300125      1.21036386      0.93905520
+H      3.89615866     -1.79116333      0.11901729
+H      2.23194905     -2.15127686      0.69637242
+H      4.40570612     -1.31222544      2.39209175
+H      2.70396110     -1.20860668      2.84398590
+H      3.88255539      1.16420782      2.89406812
+H      2.95695715      2.27226884      0.71707980 
+
+15
+-1473.3671465897264 10.852867 12.12702 -10.0327 -8.0974 -10.214 0.6593 -0.3032 0.096 9.86231 0.23643 5.2410370032 11.230465901 0.177198862
+O      0.91828430     -0.09015415      0.58699964
+S      2.24867431      0.01559985     -0.03692603
+O      2.38889864      0.20343468     -1.49176332
+C      3.23620989      1.29299009      0.84270223
+C      4.55381231      0.60375034      1.19141802
+C      4.20557542     -0.84565514      1.58739879
+C      3.29765107     -1.40186447      0.49088129
+H      2.65236518      1.56579394      1.73157530
+H      3.32544247      2.14956423      0.16523184
+H      5.22119394      0.60370300      0.31537965
+H      5.07362950      1.13165761      2.00291670
+H      5.10774725     -1.46226337      1.70284441
+H      3.67559753     -0.85125219      2.55273589
+H      3.85295302     -1.71002746     -0.40438400
+H      2.61902518     -2.19935695      0.81339958 
+
+10
+-1060.7515250988831 9.669279 10.32257 -10.6346 -8.6885 -10.47 -1.3728 -3.1858 -2.043 9.80397 2.55155 4.0253542732 7.8266906416 0.333024125
+O      0.89283220     -0.10704258      0.08550469
+S      2.34279163     -0.06090004      0.27010071
+O      2.94737148     -0.10748753      1.60083702
+C      3.04741548      1.29470460     -0.68480362
+C      3.77568079      0.76406136     -1.67256077
+C      3.74257968     -0.72113632     -1.62827201
+N      3.06203146     -1.30962403     -0.70560599
+H      2.84961146      2.32830162     -0.41676118
+H      4.33187044      1.31853477     -2.42700355
+H      4.28214539     -1.33035185     -2.36031531 
+
+12
+-1204.9210187277013 10.123779 10.97673 -9.1593 -7.0964 -9.96 1.2754 -0.4007 -0.072 9.50215 0.61579 5.0760240358 6.0520542264 0.08294347
+O      1.11045296     -0.08009167      0.68625424
+S      2.48449476      0.02379678      0.19918965
+O      3.58515583      0.28923448      1.13236779
+C      2.92376450     -1.34767891     -0.93575892
+C      3.59456540     -0.65739779     -2.08004089
+C      3.38438937      0.67179548     -2.10126074
+N      2.53616658      1.19632258     -1.10666460
+H      1.97114716     -1.83598782     -1.18973943
+H      3.56213287     -2.03998201     -0.37056389
+H      4.19971979     -1.18802806     -2.80949364
+H      3.78668174      1.36891765     -2.83485084
+H      2.79386904      2.11908929     -0.74536872 
+
+14
+-1346.4627907158374 10.265913 11.47191 -10.2018 -8.2571 -10.558 0.5999 -0.4153 0.059 9.93156 0.35592 5.4811606894 11.8720810524 0.330308633
+O      1.10735212     -0.33127759      0.77397970
+S      2.29830812     -0.08591794     -0.04068114
+O      2.21340074      0.08530376     -1.49499483
+C      3.25464157      1.27009410      0.77115664
+C      4.53353231      0.60355310      1.28530029
+C      4.21234323     -0.90133677      1.44748888
+N      3.43410782     -1.33991884      0.27574498
+H      2.60707928      1.64721944      1.57099042
+H      3.41803230      2.04599423      0.01563809
+H      5.34324292      0.72482100      0.54973647
+H      4.87028687      1.05064620      2.23145851
+H      5.11786003     -1.51595578      1.52593830
+H      3.60366951     -1.07882688      2.34700125
+H      4.02257318     -1.39476801     -0.56374757 
+
+11
+-1136.5740598014543 9.431697 10.36761 -9.7063 -7.5812 -10.542 1.3378 -0.3842 -0.499 10.05763 0.74423 5.093096908 6.1858599176 0.219376787
+O      0.95669936     -0.01447909      0.25670613
+S      2.40926363      0.02398060      0.14976332
+O      3.26643455      0.27046278      1.30164449
+C      3.03891767     -1.35419745     -0.88072629
+C      3.47070389     -0.68080963     -2.14272571
+C      3.30807493      0.65016321     -2.12785167
+O      2.78420152      1.25284578     -1.01016430
+H      2.20231518     -2.05701361     -0.99768728
+H      3.85178932     -1.82195893     -0.30769423
+H      3.87592110     -1.22666364     -2.99016513
+H      3.54582885      1.35711997     -2.92102933 
+
+13
+-1280.057256934489 9.598963 10.94718 -10.6787 -8.7257 -10.936 0.6595 -0.3469 -0.241 10.56881 0.60084 5.395684741 12.1303686876 0.122753528
+O      1.24794643     -0.48551223      0.69914952
+S      2.39430641     -0.05005954     -0.09883619
+O      2.27556916      0.19646723     -1.53034712
+C      3.24770840      1.30423654      0.80084992
+C      4.53753316      0.67269051      1.33512618
+C      4.29809836     -0.84479138      1.34093516
+O      3.64027535     -1.15158500      0.08917767
+H      2.55038144      1.61630223      1.58646928
+H      3.40596401      2.11580311      0.08294484
+H      5.37405261      0.90207355      0.66090126
+H      4.78776072      1.04327898      2.33857342
+H      5.22915768     -1.42336928      1.34278468
+H      3.66411628     -1.16399473      2.18466138 
+
+10
+-1049.8122744393843 9.728475 10.32935 -10.3496 -8.4168 -10.502 -1.3329 -3.1384 -1.834 10.4267 2.45927 4.0009786256 9.167958791 0.410161192
+O      0.83068938     -0.00527153      0.16295808
+S      2.29123028      0.01827291      0.33884453
+O      2.89075401     -0.00527429      1.68222084
+C      3.03405566      1.29767085     -0.66839746
+C      3.74973093      0.72052906     -1.63893137
+N      3.78318544     -0.72244875     -1.68433321
+C      3.09088839     -1.23295533     -0.74554077
+H      2.87030829      2.34732800     -0.44681728
+H      4.31708233      1.24111300     -2.40873941
+H      2.95635528     -2.30054392     -0.56328394 
+
+14
+-1337.3220469449586 10.454555 11.54812 -9.7315 -7.6173 -10.217 0.6089 -0.4255 0.075 9.87797 0.24641 5.2062093358 11.9421331424 0.159809263
+O      0.88892231     -0.06037510      0.54089546
+S      2.22303288      0.03764701     -0.06864139
+O      2.38517324      0.18712881     -1.52493020
+C      3.21589934      1.31191542      0.80533551
+C      4.48843092      0.56924202      1.20682406
+N      4.02347157     -0.76764680      1.61543385
+C      3.30153972     -1.35611217      0.50113825
+H      2.62447594      1.62248112      1.67405094
+H      3.37197497      2.13876039      0.10448231
+H      5.19793473      0.54750284      0.35431026
+H      4.98185744      1.06204554      2.05545530
+H      4.79274877     -1.36548617      1.92082014
+H      3.90759390     -1.62745102     -0.38381930
+H      2.65117427     -2.18368190      0.80929481 
+
+13
+-1266.0123384991268 9.811739 10.92663 -10.0126 -8.0714 -10.377 0.7931 -0.2559 -0.238 9.79556 0.57967 5.0859925102 12.1824676048 0.252425123
+O      0.85198805      0.00508430      0.40461489
+S      2.23110967      0.04365888     -0.10615999
+O      2.51384617      0.12471116     -1.54966098
+C      3.18833394      1.32659704      0.80114311
+C      4.39846897      0.55929898      1.32024170
+O      3.93165816     -0.74780304      1.72814157
+C      3.25912271     -1.32805973      0.64209998
+H      2.54350622      1.69041684      1.60938921
+H      3.42772987      2.12082680      0.08578206
+H      5.17351592      0.45680393      0.53926313
+H      4.84053618      1.02306500      2.21015122
+H      3.93492923     -1.66850791     -0.16244532
+H      2.59285491     -2.12241225      0.99647943 
+
+12
+-1201.8398115317882 10.061046 11.01795 -10.1237 -8.148 -10.516 0.5162 -1.1876 -0.498 9.84953 1.14686 5.2626849588 6.3378047606 0.219539816
+O      0.96489595      0.08509725     -0.13239789
+S      2.42446954      0.00430482     -0.19784485
+O      3.10543619     -0.02386552     -1.49705688
+N      2.98433825     -1.33884034      0.72442614
+C      3.39957122     -0.87686290      2.05946034
+C      3.50936477      0.62993826      2.04747744
+C      3.08135864      1.21716607      0.93054600
+H      3.77539965     -1.71233006      0.19334146
+H      4.35509335     -1.34798281      2.33286263
+H      2.65680335     -1.18560325      2.81541554
+H      3.86326526      1.16968413      2.92697695
+H      3.00197383      2.27287434      0.68560312 
+
+11
+-1134.9217004547675 9.464319 10.49371 -10.4229 -8.4129 -10.93 0.2999 -1.4323 -0.631 10.77311 1.2778 5.221422418 6.370586659 0.306230257
+O      0.93332946      0.09914855     -0.26715315
+S      2.38685050     -0.00063552     -0.17175557
+O      3.19609265     -0.11010367     -1.38152691
+O      2.76796599     -1.29518787      0.83187280
+C      3.36005319     -0.86785021      2.06553505
+C      3.50099985      0.62434662      2.05374649
+C      3.04163965      1.20707140      0.94967608
+H      4.34182038     -1.36034649      2.16570095
+H      2.71574243     -1.19868911      2.89796737
+H      3.94551050      1.14979609      2.89896419
+H      3.00822541      2.25518023      0.66643270 
+
+9
+-967.3406155626868 10.82843 12.36801 -10.9071 -8.9432 -10.797 -0.2567 -2.0709 -1.266 10.35176 1.76236 4.4135544392 8.484919917 0.078949616
+O      0.99981319      0.02154825     -0.05058138
+S      2.44694604     -0.06116447      0.10922618
+O      3.06549909     -0.70285213      1.26344015
+C      3.10340080     -0.77563351     -1.31602093
+C      3.53436879     -1.35104345     -2.29470748
+C      3.09263318      1.53142572     -0.02770620
+C      3.50183085      2.67466110     -0.04480195
+H      3.91761927     -1.85119293     -3.16283722
+H      3.86822879      3.68258142     -0.06718118 
+
+8
+-868.8625825276289 9.762704 11.12592 -11.7413 -9.6804 -11.29 -0.8245 -2.7549 -1.99 10.87918 2.44944 4.3760610728 8.447104187 0.058851873
+O      0.99934813      0.03680935     -0.04609021
+S      2.43946482     -0.08772908      0.10713026
+O      3.07350274     -0.68566832      1.27052773
+C      3.09537857     -0.79016539     -1.31064086
+C      3.53053817     -1.35428299     -2.29344163
+C      3.11074082      1.54221217     -0.05572459
+N      3.52532896      2.63362809     -0.11005838
+H      3.91791780     -1.84822382     -3.16422232 
+
+13
+-1269.6354235873266 9.803805 11.36357 -10.9579 -8.9755 -11.093 0.8453 -0.2562 -0.231 10.73264 0.64794 5.5400540394 12.0531874026 0.143063536
+O      3.54841770     -0.90828218     -0.66238342
+S      2.58406036      0.18519122      0.12964670
+O      1.46091533      0.47596670     -0.75436409
+O      2.39693690     -0.32817222      1.48907449
+C      3.66070321      1.59418566      0.16959966
+C      3.77425563      2.46103739     -1.05806913
+C      3.01323510      2.95931350      0.14018630
+H      3.71657276     -1.61947271     -0.01069190
+H      4.52674172      1.41822769      0.80719709
+H      3.19088906      2.16446029     -1.92925616
+H      4.76170511      2.87082737     -1.26846198
+H      3.46206984      3.71773541      0.78052855
+H      1.92698726      2.99207186      0.06153388 
+
+13
+-1269.906399849172 10.545624 11.65517 -10.2691 -8.1436 -10.432 0.9581 -0.8268 -0.384 9.96245 0.77252 5.4106126554 6.819973916 0.385621186
+O      0.99761830      0.26047807      0.05203309
+S      2.58619533     -0.11056885     -0.26089911
+O      2.98400829     -1.11925568      0.71267615
+O      2.70457533     -0.32115014     -1.70546323
+C      3.36001424      1.47037281      0.20538409
+C      4.84989148      1.34452587      0.19800245
+C      5.63844343      1.99240451     -0.66565426
+H      0.55297809      0.25389165     -0.82058580
+H      2.95746820      1.68222412      1.20653488
+H      2.99200031      2.21176564     -0.51548678
+H      5.27920034      0.67725685      0.94962632
+H      5.22793475      2.65481241     -1.43117146
+H      6.72247191      1.88152275     -0.63277635 
+
+11
+-1109.6009870692378 10.069128 11.29757 -10.7005 -8.4251 -10.697 0.9389 -0.5539 -0.494 10.42614 0.89007 4.3629557526 10.9147603492 0.117003055
+O      1.08422894      0.27334133      0.04097233
+S      2.70963370     -0.05616993      0.00225569
+O      3.05218260     -0.64635448      1.28563577
+O      2.99782934     -0.69995138     -1.27885578
+C      3.32339018      1.67352423     -0.02716194
+C      4.76710761      1.71334274      0.00002951
+C      5.97825309      1.74548388      0.01982644
+H      0.73464042     -0.02614085     -0.82369178
+H      2.87236860      2.15148252      0.85421770
+H      2.91006774      2.11930309     -0.94285200
+H      7.04889778      1.76619887      0.03997406 
+
+13
+-1343.5138497259668 12.755189 13.29895 -7.8786 -6.0811 -8.721 0.9163 -0.4509 -0.004 7.81747 0.76079 3.271308617 10.7972836142 0.721207231
+S      1.70204007      0.04370375      1.59315395
+C      2.69921033      0.00849491      0.25583989
+N      3.17156526     -1.11338228     -0.39380130
+C      4.24329541     -0.79809872     -1.30242648
+C      5.45052767     -0.05779742     -0.75307494
+C      4.27342180      0.71722188     -1.31974317
+N      3.21545677      1.09553308     -0.41909957
+H      3.07991462     -2.00955432      0.07403174
+H      4.31474961     -1.39655011     -2.21062089
+H      5.60188253     -0.04849018      0.32675601
+H      6.35290739     -0.08267827     -1.36424185
+H      4.36823368      1.29144358     -2.24133399
+H      3.15945485      2.00516409      0.02792059 
+
+13
+-1330.1488452801027 12.767596 13.18706 -7.9069 -6.1207 -8.788 0.7085 -0.8678 -0.117 7.85228 0.89004 3.117565977 10.8010651872 0.877879316
+S      1.53428342      0.43993908      0.93265520
+C      2.90960708     -0.01486365      0.12822532
+N      3.12642349     -1.20763271     -0.49510019
+C      4.44225815     -1.35389291     -1.10345201
+C      5.00394318      0.04827010     -0.91518051
+C      4.25185232      1.20737984     -1.45687317
+N      4.07676789      0.81141883     -0.02884913
+H      2.42242036     -1.93886098     -0.46256999
+H      5.05858083     -2.09278003     -0.56442292
+H      4.37233817     -1.66365376     -2.15907677
+H      6.06566869      0.15012444     -0.68490901
+H      4.76053548      2.16254412     -1.59543473
+H      3.40995096      1.01524762     -2.12699209 
+
+13
+-1355.485597159695 13.711397 13.44517 -7.8981 -6.1532 -8.657 0.6403 -0.928 -0.191 7.71657 0.93841 3.24905313 10.697140122 0.609901721
+S      0.79332224     -0.04833491      0.01449686
+C      2.47295428     -0.02638006      0.00357365
+N      3.19952154      1.12235102     -0.00080965
+C      4.66360626      1.26290245     -0.03638827
+C      5.32491937     -0.08379423     -0.01132537
+C      4.60053053     -1.21300318      0.00501607
+N      3.20597907     -1.19246281      0.00267158
+H      2.62772119      1.96213382     -0.00423015
+H      4.99012263      1.87174497      0.82747242
+H      4.95644355      1.82377157     -0.94444844
+H      6.41164918     -0.12766524     -0.00583958
+H      5.04964412     -2.20490220      0.02186940
+H      2.65852605     -2.04647120      0.01209149 
+
+15
+-1494.449995099509 13.669799 14.05609 -7.5849 -5.8297 -8.554 0.6045 -0.4504 0.121 7.67852 0.64906 3.314021794 10.7243426504 0.755808474
+S      1.41984826      0.06308401      1.24617504
+C      2.76026418      0.01600423      0.22149925
+N      3.31452620     -1.16456072     -0.18465510
+C      4.35848670     -1.28917922     -1.19869739
+C      5.26859935     -0.06486843     -1.14363076
+C      4.42201264      1.20245835     -1.22991055
+N      3.37286494      1.15633443     -0.21461124
+H      2.79218674     -1.98358433      0.11109131
+H      4.92985728     -2.20697487     -0.99790929
+H      3.91784625     -1.38671410     -2.20923207
+H      5.83413049     -0.06752800     -0.19964181
+H      5.98717724     -0.09351523     -1.97416524
+H      5.03944899      2.09458284     -1.05091807
+H      3.98705840      1.29750128     -2.24312314
+H      2.89281235      2.00792976      0.06002905 
-- 
GitLab